data_r4ccjsf
# 
_audit.revision_id     1_0 
_audit.creation_date   ? 
_audit.update_record   'Initial release' 
# 
_cell.entry_id      4ccj 
_cell.length_a      102.4400 
_cell.length_b      81.5600 
_cell.length_c      151.9600 
_cell.angle_alpha   90.0000 
_cell.angle_beta    94.6600 
_cell.angle_gamma   90.0000 
# 
_diffrn.id                  1 
_diffrn.crystal_id          1 
_diffrn.ambient_temp        ? 
_diffrn.crystal_treatment   ? 
_diffrn.details             ? 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.92000 
# 
_diffrn_reflns.diffrn_id         1 
_diffrn_reflns.pdbx_d_res_high   2.154 
_diffrn_reflns.pdbx_d_res_low    63.725 
_diffrn_reflns.limit_h_max       47 
_diffrn_reflns.limit_h_min       -47 
_diffrn_reflns.limit_k_max       37 
_diffrn_reflns.limit_k_min       0 
_diffrn_reflns.limit_l_max       70 
_diffrn_reflns.limit_l_min       0 
_diffrn_reflns.number            128285 
_diffrn_reflns.pdbx_number_obs   128268 
# 
_entry.id   4ccj 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               4ccj 
_symmetry.space_group_name_H-M   'P 1 21 1' 
_symmetry.Int_Tables_number      4 
# 
loop_
_symmetry_equiv.id 
_symmetry_equiv.pos_as_xyz 
1 'X,  Y,  Z'       
2 '-X,  Y+1/2,  -Z' 
# 
#
loop_
_refln.crystal_id
_refln.wavelength_id
_refln.scale_group_code
_refln.index_h
_refln.index_k
_refln.index_l
_refln.status
_refln.F_meas_au
_refln.F_meas_sigma_au
_refln.intensity_meas
_refln.intensity_sigma
_refln.pdbx_I_plus
_refln.pdbx_I_plus_sigma
_refln.pdbx_I_minus
_refln.pdbx_I_minus_sigma
_refln.pdbx_F_plus
_refln.pdbx_F_plus_sigma
_refln.pdbx_F_minus
_refln.pdbx_F_minus_sigma
_refln.pdbx_anom_difference
_refln.pdbx_anom_difference_sigma
1 1 1  -47    0    1 o   29.739   14.012  -0.5794   8.6277  -0.5794   8.6277  -0.5794   8.6277   29.739   19.817   29.739   19.817 0.000000 0.000000 
1 1 1  -47    0    2 o   36.789   16.064   4.9476   8.8785   4.9476   8.8785   4.9476   8.8785   36.789   22.718   36.789   22.718 0.000000 0.000000 
1 1 1  -47    0    3 o   30.483   14.223   0.1741   8.5373   0.1741   8.5373   0.1741   8.5373   30.483   20.114   30.483   20.114 0.000000 0.000000 
1 1 1  -47    0    4 o   29.387   14.780 -14.2680   14.332 -14.2680   14.332 -14.2680   14.332   29.387   20.901   29.387   20.901 0.000000 0.000000 
1 1 1  -47    0    7 o   24.845   12.267  -6.3865   8.5295  -6.3865   8.5295  -6.3865   8.5295   24.845   17.349   24.845   17.349 0.000000 0.000000 
1 1 1  -47    0    8 o   34.412   15.439   3.1926   8.8109   3.1926   8.8109   3.1926   8.8109   34.412   21.834   34.412   21.834 0.000000 0.000000 
1 1 1  -47    0    9 o   47.664   18.276   11.187   9.3477   11.187   9.3477   11.187   9.3477   47.664   25.847   47.664   25.847 0.000000 0.000000 
1 1 1  -47    0   11 o   25.844   12.837  -7.8951   9.7524  -7.8951   9.7524  -7.8951   9.7524   25.844   18.154   25.844   18.154 0.000000 0.000000 
1 1 1  -47    0   12 o   42.751   17.324   8.7846   8.9735   8.7846   8.9735   8.7846   8.9735   42.751   24.500   42.751   24.500 0.000000 0.000000 
1 1 1  -47    0   13 o   23.704   11.836  -8.1596   8.6421  -8.1596   8.6421  -8.1596   8.6421   23.704   16.738   23.704   16.738 0.000000 0.000000 
1 1 1  -47    0   14 o   98.544   14.199   32.270   9.4594   32.270   9.4594   32.270   9.4594   98.544   20.080   98.544   20.080 0.000000 0.000000 
1 1 1  -47    0   15 o   53.124   18.551   14.003   9.0343   14.003   9.0343   14.003   9.0343   53.124   26.235   53.124   26.235 0.000000 0.000000 
1 1 1  -47    0   16 o   32.004   14.694   1.8990   8.5860   1.8990   8.5860   1.8990   8.5860   32.004   20.780   32.004   20.780 0.000000 0.000000 
1 1 1  -47    1    1 o   82.020   13.699   23.239   6.0862   30.172   8.8631   17.053   8.3721   95.395   17.850   68.645   20.785 26.75025 27.39738 
1 1 1  -47    1    2 o   69.767   14.091   17.412   6.0406   24.322   8.3657   9.8855   8.7314   84.730   18.766   54.804   21.024 29.92575 28.18129 
1 1 1  -47    1    3 o   51.713   23.294   3.7117   13.713   0.0000   0.0000   3.7117   13.713  ?   ?    51.713   23.294      ?      ? 
1 1 1  -47    1    4 o   38.800   13.268 -11.1724   8.1849 -13.7252   10.572  -7.3536   12.931   34.845   17.023   42.756   20.356 -7.910221 26.53598 
1 1 1  -47    1    6 o   47.212   15.320  -8.8699   8.7083   14.092   14.916 -20.7432   10.726   62.570   26.221   31.854   15.849 30.71642 30.63905 
1 1 1  -47    1    7 o   56.266   16.370   8.4999   8.9054  -4.3041   14.345   16.529   11.359   46.704   21.998   65.829   24.249 -19.12516 32.73970 
1 1 1  -47    1    8 o   33.734   11.454  -8.6376   6.0515 -10.8322   8.3697  -6.2336   8.7598   31.659   15.394   35.810   16.964 -4.151491 22.90770 
1 1 1  -47    1    9 o   37.931   12.472  -4.5616   6.2584  -9.0740   8.6311   0.4413   9.0881   33.383   16.087   42.479   19.064 -9.096306 24.94411 
1 1 1  -47    1   10 o   58.198   15.228   11.459   6.5127   7.3037   8.9662   16.099   9.4756   50.771   20.707   65.625   22.334 -14.85375 30.45576 
1 1 1  -47    1   11 o   37.613   12.347  -5.7449   6.3132 -13.8652   8.8944   2.4998   8.9623   30.935   15.214   44.292   19.451 -13.35681 24.69448 
1 1 1  -47    1   12 o   56.227   14.754   11.011   5.9958   9.5261   8.4683   12.503   8.4905   53.559   20.664   58.895   21.065 -5.336376 29.50818 
1 1 1  -47    1   13 o   44.361   13.534   3.3748   5.9595   5.4349   8.3660   1.2524   8.4915   46.923   19.649   41.799   18.616 5.124317 27.06711 
1 1 1  -47    1   14 o   54.223   12.314   0.4174   6.1607 -19.6115   8.3506   24.339   9.1261   26.744   13.409   81.703   20.659 -54.95898 24.62866 
1 1 1  -47    1   15 o   65.083   15.312   16.261   6.4237   19.247   8.9489   13.087   9.2265   71.150   21.476   59.016   21.832 12.13349 30.62496 
1 1 1  -47    1   16 o   37.830   12.433  -2.7502   6.1330  -3.6013   8.9596  -1.9997   8.4130   37.642   17.620   38.019   17.547 -0.3769760 24.86679 
1 1 1  -47    2    1 o   51.519   14.470   8.0900   6.1008   5.6868   8.9399   10.185   8.3464   48.219   20.258   54.820   20.668 -6.600838 28.94075 
1 1 1  -47    2    2 o   52.301   15.570   7.5893   7.3152   8.6534   8.8395   5.2770   13.031   52.626   20.871   51.976   23.110 0.6492882 31.13919 
1 1 1  -47    2    3 o   44.140   14.465  -2.6985   8.4058   2.3153   10.789 -10.4414   13.408   46.853   20.917   41.428   19.986 5.425087 28.92984 
1 1 1  -47    2    4 o   38.491   13.146  -9.8286   7.9481  -8.8784   9.9374 -11.5158   13.241   36.315   17.439   40.667   19.677 -4.351978 26.29289 
1 1 1  -47    2    5 o   42.905   13.158  -0.1568   6.1511  -8.4456   8.7344   7.9987   8.6639   34.056   16.353   51.754   20.619 -17.69746 26.31618 
1 1 1  -47    2    6 o   50.043   16.096   1.9950   9.1952   5.0000   15.162   0.2468   11.565   53.955   24.381   46.131   21.021 7.824574 32.19228 
1 1 1  -47    2    7 o   60.162   17.620   12.626   9.6405   6.5158   15.719   16.311   12.206   55.515   24.979   64.808   24.859 -9.293186 35.24084 
1 1 1  -47    2    8 o   42.395   13.902  -3.2456   7.2012  -6.5158   8.9623   2.7117   12.096   35.918   17.057   48.872   21.959 -12.95406 27.80497 
1 1 1  -47    2    9 f   44.174   13.662   1.9080   6.3161  -1.9455   8.8205   5.9633   9.0484   39.451   18.120   48.897   20.452 -9.446213 27.32405 
1 1 1  -47    2   10 o   54.579   14.280   8.4895   6.2486   17.015   8.9329   0.3206   8.7438   67.666   21.628   41.492   18.654 26.17379 28.56077 
1 1 1  -47    2   11 o   48.708   13.265   1.6515   6.2404   16.365   8.9230 -12.4343   8.7307   66.127   21.656   31.289   15.324 34.83889 26.52925 
1 1 1  -47    2   12 o   77.675   14.590   22.147   6.3444   26.242   8.8608   17.839   9.0883   86.722   19.394   68.628   21.802 18.09446 29.18026 
1 1 1  -47    2   13 o   53.717   15.802   9.2960   7.4547   3.2725   15.182   11.210   8.5572   51.309   23.643   56.124   20.973 -4.814919 31.60486 
1 1 1  -47    2   14 o   67.763   15.406   17.669   6.4366   19.148   8.9575   16.091   9.2552   71.005   21.499   64.520   22.072 6.485329 30.81169 
1 1 1  -47    2   15 o   46.231   13.358   3.4929   6.0802   11.807   8.2062  -6.6274   9.0536   56.988   20.668   35.474   16.929 21.51424 26.71597 
1 1 1  -47    3    1 o   86.068   17.330   29.158   8.3053   26.374   10.656   33.468   13.257   82.672   23.008   89.465   25.923 -6.792931 34.66071 
1 1 1  -47    3    2 o   66.022   16.869   17.655   8.0384   20.901   10.265   12.509   12.925   73.111   23.165   58.934   24.529 14.17710 33.73845 
1 1 1  -47    3    3 o   48.405   15.249   3.4942   8.0519   5.2095   10.367   0.8858   12.784   49.098   21.248   47.713   21.878 1.385166 30.49776 
1 1 1  -47    3    4 o   39.640   12.740  -1.2548   6.0298  -4.2545   8.6091   1.6336   8.4479   36.838   17.252   42.442   18.752 -5.604412 25.48059 
1 1 1  -47    3    5 o   44.035   13.460   2.8332   5.8977   0.6412   8.1153   5.2867   8.5859   40.732   18.166   47.337   19.868 -6.604637 26.92101 
1 1 1  -47    3    6 o   58.546   16.839   11.774   7.8202   11.644   15.659   11.818   9.0263   59.264   25.876   57.828   21.554 1.435608 33.67730 
1 1 1  -47    3    7 o   41.528   14.287 -12.0346   9.7097  -8.7275   15.927 -13.9910   12.249   45.535   21.920   37.520   18.328 8.014942 28.57302 
1 1 1  -47    3    8 o   40.212   13.946 -15.1856   9.9923 -14.8987   16.052 -15.3671   12.767   42.736   20.898   37.688   18.473 5.048763 27.89270 
1 1 1  -47    3    9 o   37.284   12.111  -5.8552   6.1228   3.9963   8.3883 -17.0894   8.9577   45.179   19.326   29.389   14.600 15.78990 24.22128 
1 1 1  -47    3   10 o   36.034   11.960  -4.9958   6.0089  -1.2116   8.2600  -9.2496   8.7576   38.805   17.715   33.263   16.073 5.542347 23.91983 
1 1 1  -47    3   11 o   38.225   12.497  -2.9007   6.1639   0.5798   8.5794  -6.6139   8.8616   41.179   18.498   35.270   16.809 5.908867 24.99451 
1 1 1  -47    3   12 o   53.533   14.767   9.3976   6.2809   6.1196   8.7564   12.872   9.0145   48.134   20.125   58.933   21.617 -10.79889 29.53483 
1 1 1  -47    3   13 o   33.921   11.449  -8.2313   5.9844 -14.7438   8.4023  -1.5266   8.5254   29.089   14.396   38.753   17.805 -9.663723 22.89703 
1 1 1  -47    3   14 o   58.438   14.644   11.675   6.1700   5.4841   8.3997   18.929   9.0927   46.695   19.628   70.182   21.738 -23.48703 29.28852 
1 1 1  -47    4    1 f   86.654   15.174   30.686   8.0314   40.495   10.367   15.964   12.701  110.894   17.301   62.414   24.933 48.47993 30.34754 
1 1 1  -47    4    2 o   42.813   14.032  -4.4911   7.5728 -11.5563   9.6439   6.8716   12.230   33.624   16.389   52.001   22.782 -18.37613 28.06464 
1 1 1  -47    4    3 o   71.607   12.153   16.819   6.1229   0.5277   8.6687   33.039   8.6495   41.252   18.557  101.961   15.699 -60.70915 24.30675 
1 1 1  -47    4    4 o   68.484   14.850   17.330   6.1163   21.072   8.8114   13.850   8.4968   75.748   20.863   61.221   21.139 14.52657 29.70034 
1 1 1  -47    4    5 o   49.235   14.321   6.7553   6.1572   5.3145   8.7660   8.1585   8.6505   47.228   19.962   51.243   20.539 -4.014576 28.64148 
1 1 1  -47    4    6 o   47.330   13.031   1.2551   6.0926 -12.9736   8.6575   15.215   8.5755   30.742   15.098   63.917   21.244 -33.17461 26.06276 
1 1 1  -47    4    7 o   61.951   18.025   15.359   9.6638   13.694   16.236   16.273   12.026   60.410   26.363   63.492   24.589 -3.082611 36.05015 
1 1 1  -47    4    8 f   49.048   16.073  -3.0345   9.7098   13.592   16.271 -12.2297   12.100   60.222   26.334   37.873   18.438 22.34951 32.14660 
1 1 1  -47    4    9 o   47.361   14.183   5.3367   6.3078   6.9362   8.8619   3.6940   8.9806   49.431   20.420   45.292   19.689 4.138725 28.36572 
1 1 1  -47    4   10 o   55.284   14.404   9.8631   6.1878   2.9202   8.7625   16.769   8.7391   44.000   19.280   66.569   21.404 -22.56880 28.80721 
1 1 1  -47    4   11 o   47.273   14.059   5.4265   6.1637   2.8905   8.6577   8.0329   8.7772   43.744   19.166   50.803   20.573 -7.059025 28.11775 
1 1 1  -47    4   12 o   32.592   11.172  -9.6627   6.1216 -11.6595   8.7974  -7.7882   8.5237   31.655   15.478   33.528   16.114 -1.873074 22.34331 
1 1 1  -47    4   13 f   86.883   14.153   27.092   6.5147   25.317   9.1809   28.891   9.2459   83.283   20.531   90.484   19.486 -7.201645 28.30595 
1 1 1  -47    5    1 o   36.562   12.185  -4.6562   6.2583  -7.3198   9.5079  -2.6199   8.3131   35.883   17.185   37.242   17.278 -1.358707 24.36903 
1 1 1  -47    5    2 o  102.662   11.626   34.518   6.2045   28.925   8.7818   40.092   8.7673   91.847   18.336  113.477   14.298 -21.62938 23.25182 
1 1 1  -47    5    3 o   40.180   12.798  -0.5883   6.0390  -5.5267   8.6677   4.0704   8.4186   35.524   16.842   44.835   19.275 -9.310040 25.59620 
1 1 1  -47    5    4 o   51.381   14.549   8.0527   6.4143   3.1010   9.4747   12.242   8.7153   45.060   19.886   57.703   21.242 -12.64263 29.09762 
1 1 1  -47    5    5 o   43.265   12.790  -3.1171   6.5534 -24.6323   10.147   12.280   8.5838   28.697   14.441   57.834   21.113 -29.13742 25.57900 
1 1 1  -47    5    6 o   48.643   14.275   2.3228   6.6113   15.654   10.556  -6.2819   8.4807   62.720   23.323   34.566   16.465 28.15378 28.54903 
1 1 1  -47    5    7 o   61.791   18.312   13.993   9.9362   24.775   16.683   8.0653   12.369   70.527   28.433   53.056   23.085 17.47166 36.62445 
1 1 1  -47    5    8 o   79.569   18.426   29.808   10.094   19.059   16.553   36.171   12.737   64.602   27.376   94.537   24.671 -29.93415 36.85196 
1 1 1  -47    5    9 o   46.636   14.819   2.3322   7.5555  -0.4206   9.5916   6.8333   12.265   41.598   19.028   51.674   22.722 -10.07599 29.63738 
1 1 1  -47    5   10 o   46.186   13.800   4.2157   6.1783  -0.9371   8.7471   9.3457   8.7278   39.666   18.154   52.706   20.790 -13.03989 27.60087 
1 1 1  -46    0    1 o   40.455   16.596   7.3267   8.3934   7.3267   8.3934   7.3267   8.3934   40.455   23.470   40.455   23.470 0.000000 0.000000 
1 1 1  -46    0    2 o   56.552   18.158   14.486   8.4836   14.486   8.4836   14.486   8.4836   56.552   25.679   56.552   25.679 0.000000 0.000000 
1 1 1  -46    0    3 o   96.233   13.805   30.007   8.9875   30.007   8.9875   30.007   8.9875   96.233   19.523   96.233   19.523 0.000000 0.000000 
1 1 1  -46    0    4 o   48.603   18.140   11.268   8.9901   11.268   8.9901   11.268   8.9901   48.603   25.654   48.603   25.654 0.000000 0.000000 
1 1 1  -46    0    5 o   27.717   14.032 -17.1081   13.762 -17.1081   13.762 -17.1081   13.762   27.717   19.844   27.717   19.844 0.000000 0.000000 
1 1 1  -46    0    8 o   26.691   13.333 -10.4302   11.003 -10.4302   11.003 -10.4302   11.003   26.691   18.855   26.691   18.855 0.000000 0.000000 
1 1 1  -46    0    9 o   60.264   18.895   16.407   9.1841   16.407   9.1841   16.407   9.1841   60.264   26.722   60.264   26.722 0.000000 0.000000 
1 1 1  -46    0   10 o   85.785   17.667   27.160   10.055   27.160   10.055   27.160   10.055   85.785   24.985   85.785   24.985 0.000000 0.000000 
1 1 1  -46    0   12 o   58.715   18.897   16.091   9.1907   16.091   9.1907   16.091   9.1907   58.715   26.724   58.715   26.724 0.000000 0.000000 
1 1 1  -46    0   13 o   35.284   15.523   4.3072   8.4493   4.3072   8.4493   4.3072   8.4493   35.284   21.952   35.284   21.952 0.000000 0.000000 
1 1 1  -46    0   14 o   65.656   17.984   18.219   8.5787   18.219   8.5787   18.219   8.5787   65.656   25.433   65.656   25.433 0.000000 0.000000 
1 1 1  -46    0   15 o   56.440   17.985   14.582   8.3158   14.582   8.3158   14.582   8.3158   56.440   25.434   56.440   25.434 0.000000 0.000000 
1 1 1  -46    0   16 o   17.175   8.9275 -21.0641   8.0432 -21.0641   8.0432 -21.0641   8.0432   17.175   12.625   17.175   12.625 0.000000 0.000000 
1 1 1  -46    0   17 o   23.580   11.803  -9.1649   8.7718  -9.1649   8.7718  -9.1649   8.7718   23.580   16.692   23.580   16.692 0.000000 0.000000 
1 1 1  -46    0   18 o   19.723   10.136 -16.6715   8.5966 -16.6715   8.5966 -16.6715   8.5966   19.723   14.334   19.723   14.334 0.000000 0.000000 
1 1 1  -46    0   19 o  161.370   8.3114   74.233   10.124   74.233   10.124   74.233   10.124  161.370   11.754  161.370   11.754 0.000000 0.000000 
1 1 1  -46    0   20 f   28.771   13.841  -2.8875   9.2854  -2.8875   9.2854  -2.8875   9.2854   28.771   19.574   28.771   19.574 0.000000 0.000000 
1 1 1  -46    0   21 o   42.495   17.318   8.6015   9.0476   8.6015   9.0476   8.6015   9.0476   42.495   24.492   42.495   24.492 0.000000 0.000000 
1 1 1  -46    0   22 o   39.384   16.626   6.9725   8.8501   6.9725   8.8501   6.9725   8.8501   39.384   23.513   39.384   23.513 0.000000 0.000000 
1 1 1  -46    0   23 o   62.341   18.650   17.659   8.9889   17.659   8.9889   17.659   8.9889   62.341   26.376   62.341   26.376 0.000000 0.000000 
1 1 1  -46    1    1 o   46.958   13.579   3.9909   5.8355  -1.9462   8.1568   10.216   8.3520   38.362   17.548   55.554   20.728 -17.19231 27.15847 
1 1 1  -46    1    2 f   61.924   14.447   13.295   5.6152   14.083   8.0288   12.540   7.8562   63.496   20.526   60.352   20.337 3.144608 28.89475 
1 1 1  -46    1    3 o   31.559   10.800  -9.9058   5.6513  -8.8505   7.9929 -10.9607   7.9915   32.280   15.537   30.838   15.006 1.441957 21.60051 
1 1 1  -46    1    4 o   46.107   13.760   2.2282   6.0732  -3.0438   8.0589   9.1572   9.2390   37.381   17.225   54.833   21.464 -17.45181 27.52083 
1 1 1  -46    1    5 o   45.083   14.781  -4.5823   8.1012  -9.3919   10.028   4.4527   13.745   36.679   17.588   53.487   23.760 -16.80720 29.56190 
1 1 1  -46    1    6 o   46.192   21.703  -5.0991   13.812   0.0000   0.0000  -5.0991   13.812  ?   ?    46.192   21.703      ?      ? 
1 1 1  -46    1    7 f   30.393   15.262 -26.7342   11.032   0.0000   0.0000 -26.7342   11.032  ?   ?    30.393   15.262      ?      ? 
1 1 1  -46    1    8 o   67.996   18.052   17.914   9.3381   11.788   15.095   21.712   11.885   61.135   26.033   74.856   25.015 -13.72122 36.10329 
1 1 1  -46    1    9 o  128.480   9.8565   49.730   6.8417   49.329   9.5668   50.150   9.7881  128.058   13.825  128.902   14.052 -0.8442841 19.71307 
1 1 1  -46    1   10 o   63.983   15.564   14.861   6.5511   16.260   9.0064   13.289   9.5463   66.899   21.750   61.067   22.269 5.832653 31.12814 
1 1 1  -46    1   11 o   65.980   15.352   15.906   6.4212   13.031   9.0380   18.836   9.1246   60.360   21.719   71.600   21.703 -11.24028 30.70352 
1 1 1  -46    1   12 o   49.766   14.130   5.3810   6.4150   13.062   8.9150  -2.8666   9.2381   60.156   21.578   39.375   18.248 20.78069 28.25985 
1 1 1  -46    1   13 o   54.125   14.573   8.6302   6.3654   1.9235   8.8833   15.708   9.1257   43.449   19.211   64.800   21.918 -21.35106 29.14554 
1 1 1  -46    1   14 o   33.601   11.451  -8.9767   6.2021  -7.3736   8.6713 -10.6557   8.8744   34.479   16.486   32.722   15.898 1.756519 22.90243 
1 1 1  -46    1   15 o   40.439   12.903  -0.6705   6.0712  -3.9517   8.7923   2.3199   8.3936   37.576   17.545   43.302   18.925 -5.726398 25.80621 
1 1 1  -46    1   16 o   53.580   13.413   5.3253   6.1839   18.974   8.8249  -7.8419   8.6678   72.715   21.173   34.445   16.473 38.26979 26.82677 
1 1 1  -46    1   17 o   36.291   12.127  -6.4107   6.2826  -4.0676   8.9119  -8.7258   8.8583   38.178   17.771   34.403   16.506 3.774570 24.25423 
1 1 1  -46    1   18 o   50.477   14.578   6.5754   6.2969   6.7516   8.9036   6.3989   8.9068   50.732   20.656   50.222   20.578 0.5104179 29.15696 
1 1 1  -46    1   19 o   65.281   15.477   15.231   6.4270   15.428   9.4029   15.059   8.8050   65.454   22.248   65.107   21.521 0.3473358 30.95380 
1 1 1  -46    1   20 o   46.898   13.834   3.8914   6.1345   9.3571   8.6532  -1.6310   8.6980   54.070   20.880   39.725   18.152 14.34538 27.66747 
1 1 1  -46    1   21 o   68.239   15.185   17.302   6.2974   19.647   8.9482   15.001   8.8641   72.904   21.347   63.575   21.601 9.328644 30.36963 
1 1 1  -46    1   22 o  102.274   12.132   34.466   6.5372   37.520   9.3160   31.504   9.1757  108.318   15.916   96.231   18.315 12.08789 24.26423 
1 1 1  -46    1   23 o   47.937   13.553   3.8375   6.2063  -6.8233   8.8834   14.002   8.6743   34.974   16.712   60.900   21.340 -25.92578 27.10504 
1 1 1  -46    2    1 o   39.499   12.641  -0.9149   5.8246   0.9186   8.1217  -2.8567   8.3579   41.254   18.298   37.744   17.445 3.510059 25.28141 
1 1 1  -46    2    2 o   44.271   12.826  -1.2519   5.8814   12.112   8.5518 -13.2462   8.1016   58.982   21.137   29.560   14.535 29.42269 25.65172 
1 1 1  -46    2    3 f   68.627   14.773   16.268   6.2688   10.112   8.5134   23.559   9.2651   55.532   20.887   81.722   20.898 -26.19016 29.54649 
1 1 1  -46    2    4 o   41.722   13.932  -7.3362   8.0473 -12.6374   10.457   0.3622   12.602   35.353   17.195   48.091   21.926 -12.73726 27.86400 
1 1 1  -46    2    5 o   46.629   14.597   0.3106   7.9129   7.7703   9.9306 -12.6622   13.096   52.991   21.722   40.268   19.505 12.72264 29.19417 
1 1 1  -46    2    6 o   38.073   12.566  -5.1900   6.5547 -12.2703   10.349  -0.4465   8.4705   35.380   17.184   40.766   18.340 -5.386044 25.13285 
1 1 1  -46    2    7 o   63.969   18.052   15.128   9.4051   13.178   15.149   16.351   11.997   62.134   26.251   65.804   24.786 -3.670506 36.10375 
1 1 1  -46    2    8 o   47.428   15.631  -2.2772   9.6023  -2.0568   15.279  -2.4212   12.345   49.456   23.104   45.399   21.059 4.056229 31.26175 
1 1 1  -46    2    9 o   50.208   14.947   5.4219   7.3362   10.355   9.2496  -2.9437   12.046   56.016   21.600   44.401   20.666 11.61505 29.89389 
1 1 1  -46    2   10 o   73.701   14.817   19.710   6.3023   15.880   9.0472   23.320   8.7843   65.731   21.820   81.672   20.052 -15.94121 29.63392 
1 1 1  -46    2   11 o   55.154   14.602   9.4459   6.1700   4.1152   8.4931   15.403   8.9785   45.720   19.499   64.588   21.741 -18.86733 29.20438 
1 1 1  -46    2   12 o   78.499   14.392   22.146   6.4688   30.430   9.2998   14.380   9.0039   94.595   18.855   62.402   21.748 32.19315 28.78374 
1 1 1  -46    2   13 o   67.197   14.580   15.851   6.2478   24.306   9.1887   8.5804   8.5205   82.263   20.691   52.130   20.549 30.13312 29.16059 
1 1 1  -46    2   14 o   40.938   13.056  -0.1760   6.1492   1.5509   8.4680  -2.1024   8.9440   42.414   18.755   39.461   18.170 2.952644 26.11281 
1 1 1  -46    2   15 o   34.730   11.638  -6.8013   5.9208  -2.8326   8.3047 -10.9038   8.4435   37.705   17.413   31.755   15.446 5.950161 23.27683 
1 1 1  -46    2   16 o   50.131   14.379   6.3250   6.1221   3.5720   8.3106   9.5915   9.0527   45.267   19.297   54.995   21.324 -9.727299 28.75882 
1 1 1  -46    2   17 o   63.093   14.604   13.406   6.0785   19.460   8.7156   7.6730   8.4818   74.462   20.839   51.724   20.466 22.73795 29.20805 
1 1 1  -46    2   18 o   46.739   14.051   3.8060   6.2523   6.1457   8.8920   1.5181   8.7931   49.820   20.504   43.658   19.217 6.161449 28.10214 
1 1 1  -46    2   19 o   40.119   12.895  -2.1774   6.1340  -5.8433   8.2479   2.3598   9.1758   35.125   16.585   45.114   19.750 -9.989189 25.78999 
1 1 1  -46    2   20 o   42.223   13.286   0.3685   6.1868  -3.1327   8.5549   4.2073   8.9579   37.872   17.555   46.574   19.949 -8.702515 26.57294 
1 1 1  -46    2   21 o   42.293   13.148  -0.9412   6.2263  -8.9501   8.5373   8.1585   9.1001   32.970   15.916   51.616   20.932 -18.64654 26.29609 
1 1 1  -46    2   22 o   72.094   14.348   18.788   6.3776   9.9110   8.7487   28.854   9.3166   53.766   20.930   90.421   19.631 -36.65578 28.69562 
1 1 1  -46    3    1 o   39.506   12.644  -0.7234   5.8085  -2.3167   8.1331   0.9354   8.2984   37.622   17.324   41.391   18.421 -3.768948 25.28737 
1 1 1  -46    3    2 f   64.698   16.366   13.733   7.0980   8.1912   8.7044   24.730   12.262   51.836   20.662   77.560   25.386 -25.72393 32.73193 
1 1 1  -46    3    3 o   56.158   15.934   10.387   7.4488   12.291   9.7703   7.7455   11.511   58.887   22.323   53.429   22.742 5.457382 31.86702 
1 1 1  -46    3    4 o   43.715   14.158  -1.1354   7.6019   1.4890   10.241  -4.3559   11.345   45.363   20.306   42.068   19.734 3.294861 28.31545 
1 1 1  -46    3    5 o   43.122   13.568   1.1823   6.3236   1.2804   9.5650   1.1062   8.4283   44.167   19.708   42.078   18.653 2.089169 27.13537 
1 1 1  -46    3    6 o   44.195   13.421   2.7855   5.8923   5.9052   8.1297  -0.6670   8.5524   48.032   19.668   40.357   18.267 7.674671 26.84239 
1 1 1  -46    3    7 o   37.983   13.269 -17.4310   7.3502   0.9083   14.549 -23.7163   8.5171   50.211   23.140   25.755   12.994 24.45690 26.53844 
1 1 1  -46    3    8 o   55.360   17.156   7.9454   9.8539   3.7230   16.139   10.455   12.442   53.592   24.577   57.128   23.945 -3.535923 34.31261 
1 1 1  -46    3    9 o   70.709   18.607   17.351   9.5861   36.014   16.353   7.5811   11.832   88.067   29.340   53.350   22.891 34.71730 37.21330 
1 1 1  -46    3   10 o   54.512   14.270   9.0852   6.1670   15.836   8.5070   1.6084   8.9530   65.758   21.115   43.265   19.200 22.49275 28.53941 
1 1 1  -46    3   11 o   43.792   13.262   1.7413   5.9816  -4.8827   8.4986   8.2441   8.4205   36.041   16.962   51.543   20.392 -15.50199 26.52488 
1 1 1  -46    3   12 o   49.432   14.265   6.4179   6.1933   10.098   8.6647   2.5742   8.8558   54.716   20.955   44.148   19.363 10.56785 28.53089 
1 1 1  -46    3   13 o   61.504   14.725   13.432   6.1196   18.349   8.5848   8.3510   8.7259   70.983   20.945   52.025   20.703 18.95761 29.45007 
1 1 1  -46    3   14 o   69.060   14.794   17.193   6.0115   18.182   8.3887   16.149   8.6189   71.366   20.604   66.754   21.235 4.612328 29.58770 
1 1 1  -46    3   15 o   51.907   14.560   7.5361   6.1847   4.4444   8.6083   10.835   8.8917   46.844   19.790   56.971   21.362 -10.12668 29.11981 
1 1 1  -46    3   16 o   62.657   14.349   12.987   6.1603   5.1161   8.7598   20.688   8.6649   48.163   20.132   77.151   20.453 -28.98824 28.69855 
1 1 1  -46    3   17 o   46.857   13.763   3.7372   5.9932   8.9300   8.5515  -1.2753   8.4017   53.878   20.771   39.835   18.062 14.04298 27.52553 
1 1 1  -46    3   18 o   62.326   15.028   13.453   6.1217   16.265   8.8784   10.904   8.4521   67.458   21.562   57.194   20.939 10.26381 30.05606 
1 1 1  -46    3   19 o   42.382   13.277   0.7280   6.0851  -2.1319   8.4384   3.8265   8.7833   38.716   17.761   46.048   19.739 -7.332001 26.55324 
1 1 1  -46    3   20 o   66.491   14.708   15.994   6.2349   9.8241   8.7872   22.249   8.8480   54.301   21.021   78.681   20.577 -24.38022 29.41615 
1 1 1  -46    3   21 o   92.639   13.302   29.652   6.5187   25.398   9.4383   33.532   9.0140   83.262   20.985  102.015   16.352 -18.75308 26.60365 
1 1 1  -46    3   22 o   45.019   13.258   1.4891   6.1131   11.845   8.6896  -8.6581   8.6016   56.943   21.163   33.095   15.976 23.84822 26.51658 
1 1 1  -46    4    1 o   46.416   14.589   2.6880   7.3439   4.6667   9.4005  -0.4108   11.764   47.412   20.375   45.420   20.885 1.992241 29.17768 
1 1 1  -46    4    2 o   68.829   16.412   16.487   7.6842   7.7252   9.9289   29.572   12.134   51.815   21.527   85.844   24.779 -34.02867 32.82381 
1 1 1  -46    4    3 o   39.891   13.157  -5.9457   7.4503   2.5541   9.7264 -18.0135   11.589   45.380   20.082   34.401   17.004 10.97904 26.31347 
1 1 1  -46    4    4 o   38.407   12.484  -2.0225   5.9230  -1.8302   8.6802  -2.1901   8.1023   39.164   17.983   37.650   17.320 1.514393 24.96775 
1 1 1  -46    4    5 o   37.631   12.232  -2.9211   5.8542  -7.6724   8.5769   1.2232   8.0104   34.070   16.318   41.192   18.226 -7.122494 24.46393 
1 1 1  -46    4    6 o   45.982   13.183   1.9538   5.9626   12.321   8.4139  -8.5047   8.4509   58.771   20.976   33.192   15.976 25.57875 26.36651 
1 1 1  -46    4    7 o   33.782   11.410  -9.0035   5.9274  -1.5652   8.6288 -15.6496   8.1563   39.322   18.009   28.242   14.013 11.07975 22.81905 
1 1 1  -46    4    8 o   42.593   14.373  -6.0931   8.8322  -9.4977   15.418  -4.4302   10.775   44.438   21.436   40.747   19.153 3.691063 28.74616 
1 1 1  -46    4    9 o   58.263   16.901   10.730   9.6753  -5.2275   16.213   19.556   12.058   47.606   22.701   68.921   25.044 -21.31435 33.80144 
1 1 1  -46    4   10 o   74.536   16.399   19.264   7.2724   12.400   8.9749   32.387   12.410   58.742   21.566   90.330   24.710 -31.58733 32.79816 
1 1 1  -46    4   11 o   42.761   13.029   0.6979   5.9609  -7.2419   8.6401   7.9098   8.2346   34.551   16.502   50.971   20.166 -16.42023 26.05757 
1 1 1  -46    4   12 o   55.086   14.762   10.020   6.0894   12.151   8.6747   7.9497   8.5500   58.709   21.256   51.463   20.489 7.245129 29.52314 
1 1 1  -46    4   13 o   58.971   14.489   10.972   6.2924   2.9941   8.8559   19.107   8.9424   45.176   19.595   72.766   21.350 -27.59076 28.97869 
1 1 1  -46    4   14 o   46.557   13.108   0.5431   6.0047 -11.4973   8.3600   13.375   8.6304   31.350   15.276   61.764   21.306 -30.41441 26.21607 
1 1 1  -46    4   15 o   55.274   13.788   7.4686   6.2110  -3.7637   8.8402   18.418   8.7283   38.331   17.795   72.217   21.065 -33.88663 27.57538 
1 1 1  -46    4   16 o   34.602   11.678  -7.7487   6.0954  -7.2113   8.4768  -8.3240   8.7711   34.672   16.501   34.533   16.530 0.1387291 23.35612 
1 1 1  -46    4   17 o   58.266   14.955   11.106   6.2278   15.275   9.0109   7.2942   8.6173   65.375   21.779   51.157   20.501 14.21749 29.91054 
1 1 1  -46    4   18 o   38.252   12.410  -3.4284   6.0031  -8.7330   8.5140   1.8160   8.4655   33.418   16.072   43.085   18.913 -9.667065 24.81961 
1 1 1  -46    4   19 o   44.342   13.506   1.5917   6.3449  -6.2798   9.3248   8.3783   8.6583   36.711   17.423   51.973   20.642 -15.26186 27.01173 
1 1 1  -46    4   20 f   44.251   13.625   3.1517   6.1124   2.2269   8.6792   4.0617   8.6097   43.179   19.045   45.323   19.489 -2.143898 27.24960 
1 1 1  -46    4   21 o   36.984   12.288  -4.3555   6.3011  -6.9973   9.3365  -2.1457   8.5391   35.802   17.115   38.166   17.637 -2.363605 24.57630 
1 1 1  -46    5    1 o   46.137   14.362  -1.6673   7.1647  -9.9887   9.1708   11.367   11.478   34.050   16.452   58.225   23.545 -24.17488 28.72301 
1 1 1  -46    5    2 o   58.957   15.355   7.4033   7.4411  -4.4077   9.6394   24.820   11.706   38.963   18.250   78.951   24.699 -39.98805 30.71032 
1 1 1  -46    5    3 o   72.880   14.325   18.916   5.8469   19.475   8.3068   18.367   8.2312   74.035   20.202   71.725   20.315 2.309433 28.64942 
1 1 1  -46    5    4 o   45.006   13.478   3.6104   5.7454   7.0238   8.3816   0.5848   7.8911   49.728   20.116   40.284   17.943 9.444107 26.95588 
1 1 1  -46    5    5 o   55.162   14.316   9.4771   6.2317   1.5840   9.1529   16.298   8.5083   43.574   19.372   66.749   21.083 -23.17535 28.63162 
1 1 1  -46    5    6 o   33.588   11.503  -9.7600   6.3323 -12.0154   10.059  -8.2796   8.1497   34.498   16.798   32.678   15.718 1.819225 23.00508 
1 1 1  -46    5    7 o   67.189   15.425   16.057   6.5669   23.134   10.039   10.764   8.6822   78.345   22.517   56.034   21.089 22.31157 30.85046 
1 1 1  -46    5    8 o   45.291   15.086  -3.3206   9.2044 -10.5743   16.921  -0.2721   10.969   45.978   22.247   44.604   20.383 1.374226 30.17233 
1 1 1  -46    5    9 o   45.663   15.350  -6.3704   9.1830   3.9167   16.668 -10.8536   11.004   54.180   24.894   37.145   17.965 17.03503 30.69925 
1 1 1  -46    5   10 o   42.593   13.924  -2.0990   7.1649  -2.8657   8.8610  -0.6509   12.177   38.870   17.964   46.316   21.280 -7.446026 27.84820 
1 1 1  -46    5   11 o   36.390   12.084  -5.5272   6.0826  -2.2048   8.7089  -8.6914   8.4990   39.308   18.036   33.471   16.088 5.836727 24.16843 
1 1 1  -46    5   12 o   62.369   15.102   13.448   6.2679   17.424   9.0228   9.7392   8.7135   69.588   21.671   55.149   21.039 14.43894 30.20409 
1 1 1  -46    5   13 f   50.222   14.333   6.4945   6.1196   3.4660   8.8677   9.2482   8.4558   46.127   19.805   54.317   20.725 -8.190334 28.66624 
1 1 1  -46    5   14 o   40.546   12.965  -1.1432   6.0829   0.7502   8.8254  -2.8567   8.3957   42.853   19.038   38.239   17.606 4.614292 25.93065 
1 1 1  -46    5   15 o   51.715   14.310   6.8192   6.2013   0.7734   8.8493   12.653   8.6928   42.887   19.058   60.542   21.351 -17.65490 28.61923 
1 1 1  -46    5   16 o   55.891   14.977   10.166   6.2107   10.775   9.0305   9.6198   8.5553   56.964   21.493   54.819   20.863 2.145470 29.95375 
1 1 1  -46    5   17 o   57.549   13.970   9.6043   6.0911   19.669   8.7774   0.2545   8.4597   73.933   20.991   41.165   18.439 32.76730 27.93968 
1 1 1  -46    5   18 o   33.514   11.421  -9.3611   6.1268  -5.1133   9.0119 -13.0120   8.3548   36.920   17.403   30.108   14.795 6.811821 22.84252 
1 1 1  -46    5   19 o   40.834   13.076  -0.8786   6.3191   3.6972   9.0861  -5.1653   8.7943   45.454   19.781   36.214   17.108 9.239822 26.15297 
1 1 1  -46    5   20 o   42.954   13.372   2.3727   6.0396   1.1892   8.5549   3.5487   8.5278   41.585   18.591   44.323   19.227 -2.737637 26.74466 
1 1 1  -46    6    1 o   63.547   14.402   13.604   5.8854   19.378   8.4966   8.2788   8.1601   74.619   20.460   52.475   20.273 22.14348 28.80324 
1 1 1  -46    6    2 f   56.811   14.627   10.672   5.8253   11.590   8.3572   9.8041   8.1242   58.504   20.902   55.119   20.468 3.385185 29.25450 
1 1 1  -46    6    3 o   55.504   14.556   9.5966   5.9645   13.741   8.6340   5.8136   8.2492   62.537   21.319   48.470   19.826 14.06632 29.11240 
1 1 1  -46    6    4 o   49.828   13.853   6.1556   5.9165  -0.3716   8.8361   11.460   7.9657   41.514   18.699   58.142   20.445 -16.62754 27.70695 
1 1 1  -46    6    5 o   51.338   14.294   6.3447   6.1555   13.025   9.0458   0.5838   8.4003   60.956   21.750   41.721   18.552 19.23518 28.58735 
1 1 1  -46    6    6 o   51.090   13.975   5.6190   6.4669  -5.9581   9.8683   14.333   8.5614   38.532   18.178   63.648   21.230 -25.11618 27.94946 
1 1 1  -46    6    7 o   62.558   12.538   4.1813   6.5124   31.134   10.141 -14.7341   8.4957   95.304   20.313   29.812   14.702 65.49206 25.07532 
1 1 1  -46    6    8 o   53.456   16.708   4.3032   7.8846   12.937   17.109   1.9750   8.8842   62.664   27.208   44.248   19.401 18.41561 33.41609 
1 1 1  -46    6    9 o   52.989   16.875   1.9341   9.7634   11.768   16.305  -3.5631   12.191   61.437   26.618   44.542   20.751 16.89516 33.75060 
1 1 1  -46    6   10 o   66.226   18.476   16.747   9.8082   12.318   17.404   18.809   11.873   62.483   27.281   69.969   24.923 -7.486240 36.95130 
1 1 1  -46    6   11 o   43.607   13.448   1.9803   5.9509   2.2926   8.7371   1.7101   8.1275   44.496   19.381   42.719   18.647 1.776470 26.89503 
1 1 1  -46    6   12 o   46.875   13.788   3.8757   6.1047  -1.9851   9.1042   8.6635   8.2286   40.538   18.542   53.213   20.411 -12.67509 27.57512 
1 1 1  -46    6   13 o  105.017   11.659   34.877   6.3937   33.143   9.5342   36.294   8.6191  100.704   18.190  109.329   14.589 -8.624329 23.31803 
1 1 1  -46    6   14 o   50.799   14.111   4.8981   6.2668   14.466   9.2670  -3.1646   8.5069   63.542   22.068   38.056   17.593 25.48578 28.22251 
1 1 1  -46    6   15 o   86.628   14.183   25.898   6.5177   29.604   9.5407   22.655   8.9249   93.104   19.584   80.152   20.519 12.95150 28.36503 
1 1 1  -46    6   16 o   45.440   13.813   2.5991   6.3984  -3.1207   9.0671   8.2728   9.0305   38.783   18.011   52.097   20.948 -13.31388 27.62644 
1 1 1  -46    6   17 o   44.301   13.611   1.5781   6.3079   8.3248   9.2651  -4.2512   8.6121   51.923   21.098   36.679   17.203 15.24358 27.22244 
1 1 1  -46    6   18 o   40.239   12.887  -0.6260   6.0722   2.8913   8.8727  -3.7245   8.3278   44.101   19.361   36.377   17.015 7.724552 25.77466 
1 1 1  -46    6   19 o   50.711   14.465   8.0771   6.1034   8.5331   8.8611   7.6654   8.4189   51.506   20.737   49.916   20.172 1.589649 28.92957 
1 1 1  -46    7    1 o   68.760   14.117   16.541   5.8707   10.609   8.4764   22.011   8.1387   56.621   20.930   80.899   18.950 -24.27800 28.23428 
1 1 1  -46    7    2 o   35.731   11.831  -5.3698   5.8173  -9.3920   8.4680  -1.7752   8.0052   33.034   15.923   38.428   17.503 -5.394802 23.66181 
1 1 1  -46    7    3 o   48.846   13.857   5.6397   5.8557   0.7225   8.5790   9.9289   8.0124   42.340   18.792   55.352   20.369 -13.01182 27.71333 
1 1 1  -46    7    4 o   41.245   12.766  -2.7001   5.8935   7.6146   8.7763 -11.1716   7.9536   51.889   20.727   30.601   14.908 21.28865 25.53150 
1 1 1  -46    7    5 o   46.318   13.794   4.2136   5.8682   3.3880   8.9195   4.8436   7.7920   46.132   19.837   46.505   19.173 -0.3723984 27.58805 
1 1 1  -46    7    6 o   47.316   13.554   4.5046   5.8591  -2.5971   9.0092   9.7099   7.7131   39.764   18.282   54.868   20.016 -15.10383 27.10842 
1 1 1  -46    7    7 o   41.545   13.021   0.6412   5.7940   0.0451   8.6276   1.1309   7.8198   41.688   18.651   41.402   18.176 0.2857285 26.04256 
1 1 1  -46    7    8 o   36.758   12.927 -13.7404   7.1305 -12.7883   15.882 -13.9807   7.9800   44.528   21.547   28.988   14.287 15.54013 25.85308 
1 1 1  -46    7    9 o   53.539   15.688   3.1017   9.3145 -24.8649   16.179   16.966   11.392   39.887   19.782   67.192   24.354 -27.30502 31.37547 
1 1 1  -46    7   10 o   55.531   17.377   4.4971   9.5268   15.727   17.168  -0.4998   11.452   65.238   27.771   45.825   20.896 19.41285 34.75445 
1 1 1  -46    7   11 o   32.315   11.042 -11.0320   5.8532  -4.3099   8.5791 -16.8858   8.0059   37.148   17.340   27.481   13.677 9.666775 22.08483 
1 1 1  -46    7   12 o   65.157   14.207   15.012   6.1276   6.7799   9.0755   21.909   8.3068   50.433   20.731   79.881   19.431 -29.44796 28.41313 
1 1 1  -46    7   13 o   52.223   14.652   8.3638   6.1777   7.3970   9.0603   9.2039   8.4452   51.006   20.810   53.441   20.631 -2.434841 29.30328 
1 1 1  -46    7   14 o   43.339   12.978  -2.2157   6.1331   11.473   8.9921 -14.1226   8.3866   57.100   21.468   29.578   14.591 27.52180 25.95682 
1 1 1  -46    7   15 o   42.659   13.409   0.8010   6.2632   5.3039   9.2887  -2.9531   8.4813   47.793   20.388   37.524   17.424 10.26930 26.81891 
1 1 1  -46    7   16 o   70.526   14.961   18.963   6.4361   13.542   9.3940   23.759   8.8358   59.908   22.054   81.144   20.223 -21.23597 29.92243 
1 1 1  -46    7   17 o   42.013   13.173  -0.8988   6.2985   7.8947   9.2604  -8.4688   8.5920   50.820   20.921   33.207   16.014 17.61288 26.34677 
1 1 1  -46    8    1 o   66.277   14.876   16.120   5.9724   16.281   8.8585   15.987   8.0866   66.132   21.574   66.423   20.488 -0.2909012 29.75213 
1 1 1  -46    8    2 o   37.502   12.232  -2.9965   5.8703  -6.8168   8.6346   0.2868   8.0049   34.866   16.610   40.138   17.961 -5.271664 24.46356 
1 1 1  -46    8    3 o   54.851   14.343   9.2627   5.8807   15.149   8.7075   4.3263   7.9739   64.366   21.408   45.335   19.094 19.03084 28.68590 
1 1 1  -46    8    4 o   43.684   13.428   1.8919   5.9485   6.0902   8.9502  -1.4298   7.9613   49.071   20.417   38.297   17.448 10.77394 26.85623 
1 1 1  -46    8    5 o   48.600   14.183   6.0383   5.9923   5.8766   9.2741   6.1542   7.8513   49.162   20.643   48.038   19.457 1.123955 28.36692 
1 1 1  -46    8    6 o   44.694   13.737   2.8240   6.1123   4.2751   9.3952   1.7591   8.0485   47.256   20.340   42.131   18.469 5.124546 27.47380 
1 1 1  -46    8    7 o   45.461   12.962  -1.7201   5.9820   14.091   8.9734 -14.3672   8.0255   62.249   21.710   28.673   14.168 33.57539 25.92462 
1 1 1  -46    8    8 f   55.873   16.646   9.2938   7.4823   8.8626   17.525   9.3900   8.2743   58.101   26.237   53.645   20.493 4.455715 33.29229 
1 1 1  -46    8    9 o   51.721   16.525  -1.9729   9.3591   18.840   16.570 -11.7230   11.341   66.298   27.698   37.145   18.029 29.15247 33.04935 
1 1 1  -46    8   10 o   54.985   16.937   7.7282   10.042  -4.7477   17.368   13.993   12.308   49.066   23.425   60.904   24.468 -11.83765 33.87326 
1 1 1  -46    8   11 o   65.999   22.316   16.644   9.4602   16.644   9.4602   0.0000   0.0000   65.999   22.316  ?   ?       ?      ? 
1 1 1  -46    8   12 o   50.361   14.433   7.3164   6.2935   3.4993   9.2071   10.664   8.6223   45.435   19.840   55.288   20.968 -9.853436 28.86624 
1 1 1  -46    8   13 o   46.141   13.848   3.6293   6.2218   9.6448   9.1486  -1.5471   8.4866   53.554   21.234   38.728   17.783 14.82547 27.69690 
1 1 1  -46    8   14 o   44.191   13.562   1.5600   6.3018   8.9803   9.2582  -4.8459   8.6021   52.436   21.166   35.945   16.962 16.49075 27.12431 
1 1 1  -46    8   15 f   40.135   12.977  -0.7267   6.2748  -0.6992   9.3560  -0.7493   8.4594   40.937   18.751   39.333   17.945 1.603889 25.95395 
1 1 1  -46    9    1 o   45.977   13.697   3.7806   5.9434   10.020   9.0571  -0.9381   7.8765   53.902   21.205   38.053   17.343 15.84906 27.39437 
1 1 1  -46    9    2 o   55.454   14.329   9.4517   6.0329   17.896   9.0681   2.7467   8.0806   68.217   21.789   42.690   18.615 25.52737 28.65839 
1 1 1  -46    9    3 o   53.544   13.684   8.7010   6.0200  -1.6045   9.1070   16.699   8.0228   39.751   18.315   67.337   20.337 -27.58628 27.36808 
1 1 1  -46    9    4 o   67.318   14.769   16.543   6.0031   21.472   9.0424   12.659   8.0271   75.760   21.235   58.876   20.534 16.88456 29.53896 
1 1 1  -46    9    5 o   49.425   14.045   7.0095   6.0460   1.7459   9.3138   10.843   7.9484   43.453   19.414   55.396   20.302 -11.94320 28.09041 
1 1 1  -46    9    6 o   82.598   13.738   25.297   6.3615   16.797   9.7245   31.655   8.4109   65.461   22.614   99.735   15.607 -34.27378 27.47634 
1 1 1  -46    9    7 o   53.237   14.611   8.1257   6.3094   15.934   9.5852   2.1558   8.3811   63.985   22.431   42.488   18.729 21.49771 29.22254 
1 1 1  -46    9    8 o   54.721   16.908   7.9575   7.6666   15.117   18.396   6.4527   8.4339   61.236   27.327   48.206   19.918 13.02959 33.81551 
1 1 1  -46    9    9 o   60.927   18.078   6.3228   9.7543   35.450   18.196  -5.4234   11.555   81.046   30.525   40.809   19.376 40.23721 36.15513 
1 1 1  -46    9   10 o   66.777   18.402   20.232   9.8883   14.973   17.128   22.860   12.110   60.820   26.795   72.733   25.229 -11.91343 36.80320 
1 1 1  -46    9   11 o   40.188   12.792  -5.7447   6.2330   9.0030   9.7470 -15.9480   8.1074   52.616   21.539   27.760   13.807 24.85558 25.58458 
1 1 1  -45    0    1 o   28.850   13.570  -1.2133   8.0303  -1.2133   8.0303  -1.2133   8.0303   28.850   19.191   28.850   19.191 0.000000 0.000000 
1 1 1  -45    0    2 o   49.277   17.522   10.930   8.1255   10.930   8.1255   10.930   8.1255   49.277   24.780   49.277   24.780 0.000000 0.000000 
1 1 1  -45    0    3 o   88.162   14.332   25.438   8.4067   25.438   8.4067   25.438   8.4067   88.162   20.268   88.162   20.268 0.000000 0.000000 
1 1 1  -45    0    4 f   93.844   14.124   28.353   8.9027   28.353   8.9027   28.353   8.9027   93.844   19.974   93.844   19.974 0.000000 0.000000 
1 1 1  -45    0    5 o  111.230   11.230   37.015   8.9823   37.015   8.9823   37.015   8.9823  111.230   15.882  111.230   15.882 0.000000 0.000000 
1 1 1  -45    0    6 o   27.283   13.150  -3.6640   8.4598  -3.6640   8.4598  -3.6640   8.4598   27.283   18.597   27.283   18.597 0.000000 0.000000 
1 1 1  -45    0    9 o   35.866   16.687   0.3631   11.619   0.3631   11.619   0.3631   11.619   35.866   23.599   35.866   23.599 0.000000 0.000000 
1 1 1  -45    0   10 o   19.323   9.9291 -16.4844   8.2347 -16.4844   8.2347 -16.4844   8.2347   19.323   14.042   19.323   14.042 0.000000 0.000000 
1 1 1  -45    0   11 o   21.803   11.092 -14.3157   9.0670 -14.3157   9.0670 -14.3157   9.0670   21.803   15.687   21.803   15.687 0.000000 0.000000 
1 1 1  -45    0   12 o   23.763   12.034 -14.3024   10.161 -14.3024   10.161 -14.3024   10.161   23.763   17.019   23.763   17.019 0.000000 0.000000 
1 1 1  -45    0   14 o  132.700   9.5366   50.718   9.4419   50.718   9.4419   50.718   9.4419  132.700   13.487  132.700   13.487 0.000000 0.000000 
1 1 1  -45    0   16 o   60.624   18.372   15.572   8.7039   15.572   8.7039   15.572   8.7039   60.624   25.982   60.624   25.982 0.000000 0.000000 
1 1 1  -45    0   17 o   20.449   10.429 -13.8719   8.2464 -13.8719   8.2464 -13.8719   8.2464   20.449   14.749   20.449   14.749 0.000000 0.000000 
1 1 1  -45    0   18 o   27.895   13.346  -2.7575   8.3917  -2.7575   8.3917  -2.7575   8.3917   27.895   18.874   27.895   18.874 0.000000 0.000000 
1 1 1  -45    0   19 o   32.690   14.803   1.9314   8.3309   1.9314   8.3309   1.9314   8.3309   32.690   20.935   32.690   20.935 0.000000 0.000000 
1 1 1  -45    0   20 f  124.293   10.320   45.863   9.4486   45.863   9.4486   45.863   9.4486  124.293   14.595  124.293   14.595 0.000000 0.000000 
1 1 1  -45    0   21 o   60.186   18.737   16.555   9.0332   16.555   9.0332   16.555   9.0332   60.186   26.498   60.186   26.498 0.000000 0.000000 
1 1 1  -45    0   22 o   26.396   12.860  -4.2200   8.5989  -4.2200   8.5989  -4.2200   8.5989   26.396   18.187   26.396   18.187 0.000000 0.000000 
1 1 1  -45    0   23 o   86.993   16.002   26.588   9.1926   26.588   9.1926   26.588   9.1926   86.993   22.630   86.993   22.630 0.000000 0.000000 
1 1 1  -45    0   24 o  116.700   11.090   41.100   9.3886   41.100   9.3886   41.100   9.3886  116.700   15.684  116.700   15.684 0.000000 0.000000 
1 1 1  -45    0   25 o   43.814   17.449   8.9971   8.8937   8.9971   8.8937   8.9971   8.8937   43.814   24.676   43.814   24.676 0.000000 0.000000 
1 1 1  -45    0   26 o   37.295   16.268   5.2331   9.0829   5.2331   9.0829   5.2331   9.0829   37.295   23.007   37.295   23.007 0.000000 0.000000 
1 1 1  -45    0   27 o   24.570   12.171  -6.6117   8.5933  -6.6117   8.5933  -6.6117   8.5933   24.570   17.212   24.570   17.212 0.000000 0.000000 
1 1 1  -45    0   28 o   36.398   16.113   4.8586   9.2479   4.8586   9.2479   4.8586   9.2479   36.398   22.788   36.398   22.788 0.000000 0.000000 
1 1 1  -45    1    1 o   26.478   9.3526 -19.1252   5.4813 -14.3483   7.7288 -23.9592   7.7749   28.629   14.100   24.328   12.291 4.300955 18.70512 
1 1 1  -45    1    2 o   35.264   11.690  -5.8453   5.6160  -5.2694   7.8313  -6.4550   8.0581   35.494   16.568   35.034   16.497 0.4595909 23.38026 
1 1 1  -45    1    3 o   36.214   11.832  -4.0977   5.4321  -4.3694   7.6355  -3.8192   7.7297   35.822   16.598   36.605   16.868 -0.7827606 23.66478 
1 1 1  -45    1    4 o   50.383   13.902   5.8292   5.6647   1.8586   7.9787   9.8652   8.0440   43.788   18.793   56.978   20.491 -13.19014 27.80370 
1 1 1  -45    1    5 o   56.710   14.505   9.2573   5.9148   13.542   8.4474   5.1363   8.2844   64.382   21.070   49.038   19.941 15.34357 29.01027 
1 1 1  -45    1    6 o  113.913   14.630   40.680   8.7185   34.797   11.250   49.527   13.796  103.147   20.900  124.680   20.477 -21.53282 29.25924 
1 1 1  -45    1    7 o   94.015   26.118   32.027   13.743   0.0000   0.0000   32.027   13.743  ?   ?    94.015   26.118      ?      ? 
1 1 1  -45    1    9 o   38.243   12.997 -18.4243   8.7079 -46.6441   14.525  -2.5923   10.880   31.785   16.139   44.701   20.377 -12.91595 25.99453 
1 1 1  -45    1   10 o   27.588   9.8121 -24.4938   6.4098 -27.1931   8.6803 -21.2569   9.5055   25.447   12.872   29.729   14.813 -4.282204 19.62420 
1 1 1  -45    1   13 o   57.279   14.979   8.7037   6.6020   15.130   9.2556   2.0478   9.4198   67.647   22.051   46.911   20.278 20.73594 29.95743 
1 1 1  -45    1   14 o  231.049   9.1656  149.173   11.443   0.0000   0.0000  149.173   11.443  ?   ?   231.049   9.1656      ?      ? 
1 1 1  -45    1   15 o  125.485   11.272   47.944   6.6572   24.522   9.0208   75.956   9.8652   87.395   19.587  163.575   11.161 -76.17996 22.54327 
1 1 1  -45    1   16 o   64.621   13.355   11.586   6.3608   24.726   8.7860  -2.8862   9.2208   88.097   19.014   41.145   18.758 46.95171 26.70902 
1 1 1  -45    1   17 o   41.858   13.063  -0.5462   5.8914   2.8296   8.2823  -4.0036   8.3819   45.685   19.362   38.032   17.540 7.652546 26.12534 
1 1 1  -45    1   18 o   44.897   13.696   1.9229   6.0798   3.4911   8.5879   0.3471   8.6085   46.863   19.780   42.931   18.950 3.932579 27.39296 
1 1 1  -45    1   19 o   43.484   13.476   1.0835   6.1147   3.2228   8.3359  -1.4086   8.9968   45.585   19.377   41.384   18.733 4.201836 26.95182 
1 1 1  -45    1   20 o   67.998   15.081   16.498   6.1791   18.044   8.8901   15.053   8.5946   70.933   21.405   65.063   21.251 5.870415 30.16225 
1 1 1  -45    1   21 o   62.206   15.047   14.070   6.0896   14.984   8.6749   13.181   8.5504   63.932   21.371   60.480   21.187 3.452236 30.09331 
1 1 1  -45    1   22 o   88.070   13.674   26.842   6.3481   30.732   9.0399   23.057   8.9166   95.828   18.121   80.312   20.482 15.51595 27.34769 
1 1 1  -45    1   23 o   42.427   13.276  -0.0346   6.2269  -5.3227   8.7819   5.3124   8.8307   36.656   17.249   48.197   20.185 -11.54115 26.55130 
1 1 1  -45    1   24 o   81.119   14.259   22.682   6.4089   29.939   9.2420   15.959   8.8950   95.275   18.619   66.962   21.601 28.31355 28.51762 
1 1 1  -45    1   25 o   49.023   13.657   2.5911   6.2709   14.471   9.0536  -8.3642   8.6942   63.778   21.830   34.268   16.417 29.51034 27.31439 
1 1 1  -45    1   26 o   65.943   14.369   15.299   6.4241   5.6652   9.2465   24.288   8.9318   48.719   20.542   83.167   20.098 -34.44801 28.73898 
1 1 1  -45    1   27 o   42.318   13.331   1.0524   6.2640   4.2470   8.7270  -2.3426   8.9965   45.649   19.625   38.987   18.047 6.661594 26.66153 
1 1 1  -45    1   28 o   47.589   14.206   5.3118   6.3973   1.5764   8.9848   9.1527   9.1108   42.638   19.057   52.540   21.071 -9.902229 28.41114 
1 1 1  -45    2    1 o   31.376   10.685 -10.9931   5.4666 -17.0638   7.7398  -4.9500   7.7222   27.215   13.529   35.536   16.542 -8.321066 21.36981 
1 1 1  -45    2    2 o   34.680   11.473  -8.7322   5.7036 -17.8114   8.1562  -0.0437   7.9788   27.950   13.893   41.411   18.263 -13.46104 22.94685 
1 1 1  -45    2    3 o   36.409   11.980  -6.5009   5.8449  -0.7135   8.4588 -11.7891   8.0858   41.672   18.568   31.146   15.142 10.52523 23.95943 
1 1 1  -45    2    4 o   30.487   10.540 -14.9690   5.8217 -22.8258   8.2017  -6.9908   8.2648   25.855   13.007   35.119   16.589 -9.264210 21.08017 
1 1 1  -45    2    5 o   48.924   14.962  -3.0992   7.7152 -13.0991   9.9516   11.966   12.215   34.948   16.946   62.901   24.664 -27.95392 29.92408 
1 1 1  -45    2    6 o   36.502   12.608 -16.6136   8.1450 -16.6802   11.030 -16.5338   12.079   35.367   17.301   37.636   18.344 -2.268757 25.21535 
1 1 1  -45    2    7 o   48.076   15.064   0.0785   7.9841   4.7387   10.551  -6.1644   12.212   51.856   21.909   44.297   20.681 7.558525 30.12809 
1 1 1  -45    2    8 o   36.062   12.573 -19.8050   8.5171 -30.1577   14.733 -14.6081   10.438   36.932   18.408   35.192   17.131 1.740250 25.14615 
1 1 1  -45    2    9 o   36.832   18.085 -19.5495   12.402   0.0000   0.0000 -19.5495   12.402  ?   ?    36.832   18.085      ?      ? 
1 1 1  -45    2   10 o   32.343   11.568 -39.1374   9.6849 -48.0856   15.609 -33.5360   12.350   33.304   16.892   31.381   15.809 1.923170 23.13603 
1 1 1  -45    2   12 o   61.618   14.187   10.299   6.5650  -1.7505   9.5232   21.212   9.0625   42.918   19.365   80.319   20.738 -37.40044 28.37333 
1 1 1  -45    2   15 o   90.447   19.004   25.998   8.9931   0.0000   0.0000   25.998   8.9931  ?   ?    90.447   19.004      ?      ? 
1 1 1  -45    2   16 o   55.125   13.446   5.6725   6.0219   18.042   8.6666  -5.8746   8.3734   73.887   20.816   36.363   17.025 37.52470 26.89186 
1 1 1  -45    2   17 o   37.362   12.295  -5.6763   6.0397  -1.7989   8.9119  -8.9698   8.2135   41.360   18.691   33.364   15.977 7.995358 24.58899 
1 1 1  -45    2   18 o   48.736   14.293   4.6177   6.2079   2.7017   8.6415   6.6612   8.9241   45.741   19.593   51.731   20.816 -5.989391 28.58647 
1 1 1  -45    2   19 o   41.437   13.076  -0.0599   5.9582   0.1155   8.4286  -0.2350   8.4238   41.637   18.545   41.236   18.440 0.4004593 26.15264 
1 1 1  -45    2   20 o   44.636   13.571   3.0264   5.9422   0.9667   8.3124   5.1790   8.4977   41.782   18.523   47.489   19.837 -5.706638 27.14103 
1 1 1  -45    2   21 o   44.857   13.574   2.6237   6.0748  -2.4098   8.3942   8.1588   8.8025   38.038   17.546   51.675   20.716 -13.63675 27.14836 
1 1 1  -45    2   22 o   37.726   12.251  -6.7606   6.1547 -17.2295   8.5027   4.7621   8.9205   28.351   14.107   47.100   20.033 -18.74931 24.50206 
1 1 1  -45    2   23 f   62.100   14.733   12.973   6.2395   6.7000   8.7433   19.482   8.9068   50.263   20.468   73.938   21.197 -23.67492 29.46602 
1 1 1  -45    2   24 o   43.048   13.401   0.8388   6.1476  -2.4919   8.6717   4.2041   8.7165   39.181   17.985   46.914   19.872 -7.733002 26.80226 
1 1 1  -45    2   25 o   55.774   15.012   9.6868   6.4231   13.921   9.2600   5.7605   8.9171   62.483   22.036   49.064   20.393 13.41930 30.02472 
1 1 1  -45    2   26 o   35.175   11.863  -7.0855   6.2778  -5.6358   8.7669  -8.6113   8.9939   36.022   17.037   34.328   16.512 1.694065 23.72522 
1 1 1  -45    2   27 o   33.453   11.453  -9.6308   6.3745  -8.1840   9.0153 -11.0775   9.0146   34.376   16.534   32.530   15.854 1.845463 22.90658 
1 1 1  -45    3    1 o   42.036   18.487   0.1704   8.1215   0.0000   0.0000   0.1704   8.1215  ?   ?    42.036   18.487      ?      ? 
1 1 1  -45    3    2 o   46.453   19.369   3.5515   8.0803   0.0000   0.0000   3.5515   8.0803  ?   ?    46.453   19.369      ?      ? 
1 1 1  -45    3    3 o   27.195   9.5865 -19.0373   5.7038 -24.2809   8.4854 -14.7149   7.7039   26.024   13.110   28.365   13.991 -2.341167 19.17305 
1 1 1  -45    3    4 o   28.572   14.429 -31.2838   10.640   0.0000   0.0000 -31.2838   10.640  ?   ?    28.572   14.429      ?      ? 
1 1 1  -45    3    5 o   28.085   10.054 -33.4838   7.5883 -33.7387   10.648 -33.2207   10.817   27.827   14.096   28.343   14.341 -0.5162067 20.10861 
1 1 1  -45    3    6 o   31.085   11.001 -26.2383   7.7724 -21.0676   10.090 -33.7838   12.189   31.188   15.494   30.983   15.621 0.2053528 22.00159 
1 1 1  -45    3    8 o   36.808   12.284  -7.3754   6.4016  -9.3450   9.3551  -5.6410   8.7788   36.045   17.204   37.572   17.539 -1.526821 24.56785 
1 1 1  -45    3    9 o  124.640   11.416   52.546   11.225 -40.4279   16.610  130.698   15.228   36.949   18.578  212.331   13.272 -175.3813 22.83201 
1 1 1  -45    3   10 o   70.876   15.396   5.7782   10.257 -34.2568   15.317   38.333   13.812   36.649   18.343  105.103   24.732 -68.45437 30.79179 
1 1 1  -45    3   11 o   38.837   17.921  -4.2449   8.7690  -4.2449   8.7690   0.0000   0.0000   38.837   17.921  ?   ?       ?      ? 
1 1 1  -45    3   12 o  189.945   10.064  101.507   10.330   0.0000   0.0000  101.507   10.330  ?   ?   189.945   10.064      ?      ? 
1 1 1  -45    3   13 o  146.226   12.374   61.367   9.7770   0.0000   0.0000   61.367   9.7770  ?   ?   146.226   12.374      ?      ? 
1 1 1  -45    3   14 o   64.267   21.676   13.367   8.9247   0.0000   0.0000   13.367   8.9247  ?   ?    64.267   21.676      ?      ? 
1 1 1  -45    3   15 o   50.461   14.292   4.1460   6.4268   11.280   9.0305  -3.1758   9.1484   60.250   21.706   40.672   18.597 19.57839 28.58333 
1 1 1  -45    3   16 o   49.404   14.342   4.9793   6.1573   3.5949   8.9184   6.2403   8.5114   47.788   20.163   51.021   20.400 -3.233536 28.68338 
1 1 1  -45    3   17 o   42.611   13.175  -0.5013   6.0521   5.0551   8.4169  -6.4491   8.7084   48.777   19.997   36.445   17.158 12.33276 26.34901 
1 1 1  -45    3   18 o   83.193   13.949   23.024   6.2477   28.756   9.0828   17.876   8.6076   94.226   18.499   72.161   20.882 22.06506 27.89743 
1 1 1  -45    3   19 o   68.500   13.729   15.719   6.2905   4.1432   8.9446   27.047   8.8483   46.960   20.019   90.041   18.793 -43.08106 27.45796 
1 1 1  -45    3   20 o   74.531   14.821   20.114   6.2775   23.389   9.0048   17.018   8.7559   81.034   20.538   68.027   21.375 13.00739 29.64279 
1 1 1  -45    3   21 o   41.010   12.813  -1.1839   5.9770   6.6548   8.5417  -8.7041   8.3664   49.178   20.151   32.843   15.830 16.33562 25.62519 
1 1 1  -45    3   22 o   47.341   13.425   2.4942   6.1699  -8.7123   8.8972   12.876   8.5635   34.291   16.476   60.390   21.201 -26.09948 26.84995 
1 1 1  -45    3   23 o   39.361   12.703  -1.9849   6.0194  -0.4715   8.4796  -3.5221   8.5461   40.814   18.357   37.909   17.563 2.904694 25.40552 
1 1 1  -45    3   24 o   44.872   13.811   2.4449   6.2744   3.2595   8.7578   1.5857   8.9935   45.692   19.652   44.051   19.411 1.641056 27.62205 
1 1 1  -45    3   25 o   53.744   13.776   6.6205   6.2905  -5.1984   8.9821   17.997   8.8124   37.075   17.445   70.413   21.325 -33.33850 27.55171 
1 1 1  -45    3   26 o   39.451   12.795  -2.0549   6.2781  -5.7543   8.9014   1.6067   8.8558   36.061   17.088   42.840   19.050 -6.779346 25.59060 
1 1 1  -45    3   27 o   43.209   13.550   2.0691   6.3256   3.7274   8.8432   0.3316   9.0520   44.945   19.538   41.473   18.781 3.471706 27.10056 
1 1 1  -45    4    1 o   76.841   14.128   19.100   5.9561   22.385   8.6476   16.135   8.2154   83.418   19.529   70.264   20.420 13.15476 28.25544 
1 1 1  -45    4    2 o   60.011   23.568   10.223   11.170   0.0000   0.0000   10.223   11.170  ?   ?    60.011   23.568      ?      ? 
1 1 1  -45    4    3 o  200.651   8.9895  116.010   9.7355  122.883   13.840  109.279   13.697  206.856   12.382  194.447   13.036 12.40854 17.97894 
1 1 1  -45    4    4 o  344.548   8.8026  319.942   15.856  438.739   26.817  256.081   19.662  390.204   12.718  298.893   12.173 91.31125 17.60522 
1 1 1  -45    4    8 o   88.501   18.893   24.889   8.7603   0.0000   0.0000   24.889   8.7603  ?   ?    88.501   18.893      ?      ? 
1 1 1  -45    4    9 o   83.109   18.947   25.745   9.8414   20.777   16.366   28.559   12.317   75.779   28.852   90.439   24.567 -14.66012 37.89401 
1 1 1  -45    4   10 o  110.360   15.665   47.337   9.5756   15.682   15.351   67.500   12.251   69.435   27.514  151.285   14.987 -81.84975 31.33054 
1 1 1  -45    4   11 o  153.820   14.969   69.752   12.442   0.0000   0.0000   69.752   12.442  ?   ?   153.820   14.969      ?      ? 
1 1 1  -45    4   13 o  107.184   16.132   34.359   9.3436   0.0000   0.0000   34.359   9.3436  ?   ?   107.184   16.132      ?      ? 
1 1 1  -45    4   14 o   42.364   13.379  -1.9943   6.3534   3.1874   9.3890  -6.3712   8.6291   48.167   20.521   36.561   17.170 11.60611 26.75706 
1 1 1  -45    4   15 o   63.218   15.175   13.065   6.2498   10.928   9.2067   14.891   8.5113   59.417   21.839   67.018   21.077 -7.600998 30.35087 
1 1 1  -45    4   16 o   41.894   13.285  -1.3133   6.3004   1.7392   8.9203  -4.3519   8.9000   45.111   19.616   38.677   17.920 6.434231 26.56919 
1 1 1  -45    4   17 o   57.898   14.621   10.255   6.1929   4.2269   8.8982   15.918   8.6243   47.796   20.152   67.999   21.189 -20.20254 29.24199 
1 1 1  -45    4   18 o   48.028   13.951   4.6857   6.0498   9.5780   8.6029  -0.1009   8.5094   54.846   20.910   41.209   18.473 13.63711 27.90123 
1 1 1  -45    4   19 o  107.427   11.927   37.202   6.7056   42.390   9.5669   32.191   9.4016  116.785   15.160   98.070   18.417 18.71514 23.85419 
1 1 1  -45    4   20 o   30.699   10.684 -13.9095   6.2165 -12.6181   9.0106 -15.0826   8.5875   31.852   15.593   29.547   14.611 2.304335 21.36840 
1 1 1  -45    4   21 o   58.808   15.164   12.038   6.2952   14.507   9.1420   9.8109   8.6813   62.983   21.916   54.633   20.962 8.349976 30.32748 
1 1 1  -45    4   22 o   49.139   14.297   5.4208   6.3106   1.1751   9.0901   9.3704   8.7676   43.687   19.369   54.592   21.036 -10.90485 28.59478 
1 1 1  -45    4   23 o   41.285   13.127  -0.4541   6.1420   0.6603   8.5365  -1.6502   8.8437   42.218   18.741   40.352   18.386 1.865456 26.25411 
1 1 1  -45    4   24 o   46.104   13.824   3.3971   6.1802  -1.1032   8.8816   7.6217   8.6052   40.758   18.514   51.451   20.533 -10.69371 27.64742 
1 1 1  -45    4   25 o   44.895   13.822   2.8034   6.3603  -0.1670   8.9710   5.8055   9.0190   41.338   18.710   48.452   20.351 -7.114117 27.64490 
1 1 1  -45    4   26 o   46.087   13.243   1.0472   6.2834 -12.3049   9.0239   13.614   8.7544   31.840   15.591   60.334   21.410 -28.49393 26.48541 
1 1 1  -45    5    1 o  109.697   13.434   37.631   7.7100   37.680   10.281   37.568   11.655  111.656   17.040  107.739   20.772 3.917206 26.86739 
1 1 1  -45    5    2 f  182.134   11.020   97.589   9.4502  167.905   14.476   45.360   12.476  243.359   11.008  120.908   19.095 122.4506 22.04043 
1 1 1  -45    5    9 o  106.694   27.836   41.802   16.217   41.802   16.217   0.0000   0.0000  106.694   27.836  ?   ?       ?      ? 
1 1 1  -45    5   10 o  175.476   14.644   69.859   10.720  224.865   21.590   19.137   12.350  276.943   14.427   74.009   25.489 202.9342 29.28863 
1 1 1  -45    5   11 o   41.460   14.180 -15.4662   8.8116  -4.9887   15.014 -20.9707   10.883   49.886   23.170   33.034   16.355 16.85186 28.36086 
1 1 1  -45    5   12 o   38.580   12.484  -4.0639   5.9945  -8.7551   8.6960   0.1836   8.2746   34.840   16.617   42.321   18.635 -7.480648 24.96781 
1 1 1  -45    5   13 o   35.495   11.819  -6.9991   5.9326 -10.9271   8.7093  -3.5986   8.1034   33.276   16.067   37.714   17.339 -4.438705 23.63856 
1 1 1  -45    5   14 o   32.018   11.011 -12.7839   6.0761 -16.9456   8.5059  -8.4475   8.6826   29.175   14.447   34.861   16.621 -5.686308 22.02168 
1 1 1  -45    5   15 o   80.504   14.439   21.825   6.4427   27.846   9.2074   16.048   9.0182   92.605   19.036   68.402   21.717 24.20254 28.87892 
1 1 1  -45    5   16 o  106.962   11.022   35.058   6.3291   39.292   8.9742   30.868   8.9275  114.214   14.541   99.710   16.569 14.50356 22.04482 
1 1 1  -45    5   17 o   47.019   14.053   4.2997   6.1712   6.7650   8.9990   2.1110   8.4789   50.476   20.683   43.562   19.030 6.914162 28.10587 
1 1 1  -45    5   18 o   68.733   15.165   17.396   6.2426   18.117   8.9933   16.725   8.6723   69.961   21.611   67.504   21.282 2.456863 30.33061 
1 1 1  -45    5   19 o   52.329   13.788   6.1431   6.1735  -4.2380   8.6143   17.105   8.8519   36.828   17.251   67.829   21.514 -31.00074 27.57590 
1 1 1  -45    5   20 o   62.082   15.051   13.335   6.3476   19.305   9.2872   8.1018   8.6956   72.286   21.892   51.879   20.660 20.40773 30.10144 
1 1 1  -45    5   21 f   96.206   12.695   30.300   6.3921   25.136   9.1524   35.216   8.9314   85.531   20.136  106.880   15.464 -21.34881 25.38934 
1 1 1  -45    5   22 o   61.282   15.369   12.970   6.4995   9.8792   9.3469   15.864   9.0440   55.887   21.668   66.677   21.801 -10.78983 30.73703 
1 1 1  -45    5   23 o   39.297   12.584  -5.7665   6.3080 -16.6395   8.8242   5.5963   9.0208   29.611   14.672   48.982   20.448 -19.37102 25.16738 
1 1 1  -45    5   24 o   46.540   20.080   4.0646   9.2016   0.0000   0.0000   4.0646   9.2016  ?   ?    46.540   20.080      ?      ? 
1 1 1  -45    5   25 o   54.102   15.010   9.9468   6.4061   10.684   9.1723   9.2446   8.9510   55.274   21.455   52.929   20.998 2.345261 30.02079 
1 1 1  -45    5   26 o   54.219   14.903   10.270   6.2725   9.5853   9.1934   10.867   8.5797   53.229   21.229   55.210   20.921 -1.980591 29.80551 
1 1 1  -45    6    1 o   32.742   11.373 -16.6171   6.9777 -13.7252   9.3810 -20.1982   10.439   33.181   16.171   32.302   15.997 0.8786583 22.74683 
1 1 1  -45    6    2 o   27.179   13.510 -16.9650   7.7171   0.0000   0.0000 -16.9650   7.7171  ?   ?    27.179   13.510      ?      ? 
1 1 1  -45    6    3 o   33.643   11.412  -9.4097   5.8994  -8.5875   8.9667 -10.0372   7.8337   35.629   16.960   31.656   15.273 3.972532 22.82340 
1 1 1  -45    6    4 o   25.185   12.676 -22.1980   7.8415   0.0000   0.0000 -22.1980   7.8415  ?   ?    25.185   12.676      ?      ? 
1 1 1  -45    6    5 o   34.014   16.241  -8.7294   8.3562   0.0000   0.0000  -8.7294   8.3562  ?   ?    34.014   16.241      ?      ? 
1 1 1  -45    6    6 o   87.452   18.814   24.336   8.6269   0.0000   0.0000   24.336   8.6269  ?   ?    87.452   18.814      ?      ? 
1 1 1  -45    6    7 o   25.173   12.729 -26.3763   8.4512   0.0000   0.0000 -26.3763   8.4512  ?   ?    25.173   12.729      ?      ? 
1 1 1  -45    6    8 o   30.716   10.770 -18.4649   6.5025 -15.5598   10.066 -20.5455   8.5185   33.818   16.540   27.614   13.800 6.203737 21.54083 
1 1 1  -45    6    9 o   41.703   14.391 -13.2917   7.4786  -1.8691   16.683 -16.1644   8.3663   54.093   24.873   29.312   14.481 24.78055 28.78105 
1 1 1  -45    6   10 o   50.436   15.955  -0.6264   9.3741 -12.5766   15.411   6.3919   11.810   45.609   21.853   55.264   23.254 -9.655262 31.91088 
1 1 1  -45    6   11 o   39.336   13.696 -19.6597   9.4830 -18.0833   16.082 -20.5000   11.742   43.791   21.305   34.881   17.217 8.910164 27.39184 
1 1 1  -45    6   12 o   38.873   12.297  -6.9496   5.9731   5.7051   8.6242 -18.6170   8.2809   49.997   20.340   27.749   13.826 22.24828 24.59431 
1 1 1  -45    6   13 o   57.732   15.047   10.482   6.1930   11.657   8.9303   9.3931   8.5956   59.826   21.581   55.639   20.975 4.187916 30.09488 
1 1 1  -45    6   14 o   40.594   12.904  -0.7429   5.9156  -0.1725   8.4992  -1.2788   8.2388   41.466   18.534   39.722   17.959 1.744366 25.80774 
1 1 1  -45    6   15 o   54.959   14.718   9.5715   6.1029   12.222   8.5500   6.8179   8.7138   59.518   21.155   50.400   20.468 9.118195 29.43571 
1 1 1  -45    6   16 o   39.353   12.639  -1.0764   5.8415  -0.1096   8.5208  -1.9337   8.0238   40.800   18.372   37.907   17.363 2.892857 25.27843 
1 1 1  -45    6   17 o   54.204   14.894   9.7458   6.2433   9.4291   9.3776   9.9978   8.3673   53.922   21.461   54.486   20.657 -0.5641937 29.78765 
1 1 1  -45    6   18 o   48.658   14.204   5.3484   6.1600   10.469   9.2852   1.3228   8.2326   55.589   21.584   41.727   18.470 13.86183 28.40779 
1 1 1  -45    6   19 o   34.444   11.664  -8.7092   6.2831 -13.3577   9.2207  -4.6800   8.5846   32.161   15.751   36.727   17.209 -4.565582 23.32880 
1 1 1  -45    6   20 o   78.790   14.533   21.848   6.3405   18.000   9.2030   25.325   8.7479   70.701   21.865   86.879   19.150 -16.17770 29.06510 
1 1 1  -45    6   21 o   59.623   14.465   11.423   6.2495   3.6071   9.0513   18.543   8.6392   46.611   20.011   72.636   20.892 -26.02479 28.92906 
1 1 1  -45    6   22 o   52.643   14.685   7.0848   6.4112   13.650   9.5564   1.7116   8.6455   61.869   22.324   43.418   19.085 18.45163 29.36967 
1 1 1  -45    6   23 o   50.645   14.434   6.5786   6.4170   0.7997   9.1008   12.293   9.0495   42.634   19.109   58.656   21.637 -16.02217 28.86726 
1 1 1  -45    6   24 o   45.819   13.974   4.2054   6.2965   4.1752   9.0209   4.2341   8.7927   45.926   19.848   45.712   19.676 0.2140388 27.94810 
1 1 1  -45    6   25 o   63.782   15.767   15.719   6.6862   18.160   9.9436   13.705   9.0331   67.445   22.879   60.119   21.702 7.325993 31.53449 
1 1 1  -45    7    1 o   37.462   12.212  -4.1927   5.7188   0.1030   8.6834  -7.4831   7.5998   42.354   18.847   32.570   15.534 9.784618 24.42374 
1 1 1  -45    7    2 o   65.927   14.700   14.811   5.9067   12.699   9.0300   16.390   7.8091   61.789   21.764   70.065   19.767 -8.276848 29.40092 
1 1 1  -45    7    3 o   52.711   13.789   5.4411   5.8098   15.499   8.8543  -2.1633   7.6988   67.485   21.529   37.936   17.235 29.54933 27.57732 
1 1 1  -45    7    4 o   59.540   14.534   10.411   5.8691   17.013   9.0291   5.5813   7.7233   70.575   21.630   48.505   19.419 22.07003 29.06791 
1 1 1  -45    7    5 o   50.169   13.157   4.3253   5.8138  -7.3577   8.6653   13.890   7.8404   35.572   16.857   64.766   20.207 -29.19356 26.31481 
1 1 1  -45    7    6 o   35.543   11.799  -5.8857   5.7716 -10.1208   9.1699  -3.1073   7.4272   34.764   16.709   36.322   16.662 -1.558468 23.59738 
1 1 1  -45    7    7 o   30.159   10.375 -13.8391   5.6626 -25.0580   8.6029  -5.2629   7.5217   25.881   13.058   34.437   16.127 -8.556372 20.75092 
1 1 1  -45    7    8 f   37.805   12.132  -4.0880   5.8194 -14.0809   9.2755   2.3988   7.4731   32.499   15.891   43.111   18.336 -10.61258 24.26398 
1 1 1  -45    7    9 o   47.539   14.500   2.5774   7.0747 -17.6644   15.841   7.6210   7.9072   43.100   21.007   51.978   19.991 -8.877106 28.99917 
1 1 1  -45    7   10 o   52.522   16.619   2.8291   9.4221   3.2725   15.511   2.5698   11.861   54.964   24.765   50.081   22.168 4.882385 33.23743 
1 1 1  -45    7   11 o   46.139   15.462  -6.5643   9.6561  -2.4730   16.510  -8.6914   11.905   51.436   24.025   40.841   19.469 10.59480 30.92315 
1 1 1  -45    7   12 o   37.604   12.140  -7.1281   5.9790   4.7410   8.7140 -17.6868   8.2189   47.535   19.987   27.673   13.786 19.86148 24.28054 
1 1 1  -45    7   13 o   83.001   14.013   24.123   6.2523   20.111   9.1013   27.708   8.6038   74.495   21.448   91.507   18.041 -17.01216 28.02662 
1 1 1  -45    7   14 o   56.675   14.653   9.8403   6.2831   17.665   9.2824   3.2237   8.5358   68.725   22.055   44.625   19.297 24.09961 29.30523 
1 1 1  -45    7   15 o   41.058   13.097  -1.3378   6.2870   4.6066   9.2692  -6.4026   8.5560   47.167   20.250   34.948   16.616 12.21899 26.19458 
1 1 1  -45    7   16 o   40.417   12.947  -0.5425   6.1128  -2.1532   8.9083   0.8907   8.4034   39.320   18.115   41.514   18.502 -2.194862 25.89359 
1 1 1  -45    7   17 o   45.043   13.733   2.7173   6.1734   6.5117   8.9453  -0.7332   8.5304   49.817   20.542   40.269   18.234 9.547905 27.46698 
1 1 1  -45    7   18 o   44.461   13.670   2.3311   6.1435   4.0878   8.8310   0.6837   8.5520   46.771   19.914   42.152   18.733 4.618595 27.34012 
1 1 1  -45    7   19 o   60.056   14.372   10.898   6.4043   20.543   9.0647   1.2841   9.0495   76.264   21.220   43.847   19.388 32.41723 28.74369 
1 1 1  -45    7   20 o   75.632   14.753   20.280   6.3712   15.787   9.1285   24.547   8.8964   66.343   21.912   84.921   19.759 -18.57823 29.50517 
1 1 1  -45    7   21 o   80.603   15.213   23.387   6.7438   24.786   9.8458   22.152   9.2559   82.731   21.740   78.475   21.288 4.255569 30.42674 
1 1 1  -45    7   22 o   40.291   12.693  -6.7971   6.3857   9.0444   9.3748 -20.5094   8.7220   53.233   21.365   27.350   13.711 25.88268 25.38670 
1 1 1  -45    7   23 o   36.632   12.172  -5.7940   6.3953 -13.2009   9.5155   0.3083   8.6369   32.404   15.896   40.861   18.439 -8.457062 24.34483 
1 1 1  -45    7   24 o   41.834   13.349   0.7078   6.3946   1.2559   9.2367   0.2034   8.8616   42.673   19.180   40.995   18.572 1.677731 26.69771 
1 1 1  -45    8    1 o   46.665   13.631   4.4603   5.6516   9.1404   8.6140   0.9230   7.4888   53.357   20.769   39.973   17.658 13.38421 27.26134 
1 1 1  -45    8    2 o   45.463   13.007   3.2461   5.6696  -6.0715   8.6318   10.316   7.5189   35.573   16.848   55.352   19.821 -19.77906 26.01396 
1 1 1  -45    8    3 o   50.859   14.172   6.4800   5.8375   12.531   9.0711   2.2028   7.6265   59.639   21.714   42.078   18.217 17.56185 28.34384 
1 1 1  -45    8    4 f   69.073   14.381   17.251   5.8773   13.437   9.1844   19.896   7.6484   61.390   21.914   76.756   18.629 -15.36593 28.76237 
1 1 1  -45    8    5 o   53.142   13.691   7.8043   5.9986  -2.4088   9.1783   15.420   7.9256   40.027   18.421   66.257   20.258 -26.22993 27.38105 
1 1 1  -45    8    6 o   37.588   12.340  -5.3790   5.9733   1.8848   9.3360 -10.4133   7.7723   44.674   19.726   30.502   14.833 14.17201 24.68073 
1 1 1  -45    8    7 o   37.300   12.103  -2.8301   5.6796  -7.7727   8.8199   0.6716   7.4237   34.826   16.645   39.773   17.575 -4.946625 24.20593 
1 1 1  -45    8    8 o   47.182   13.661   5.1637   5.7752   0.5481   8.9147   8.5018   7.5812   42.366   18.956   51.997   19.675 -9.630482 27.32126 
1 1 1  -45    8    9 o   35.430   12.580 -15.9991   7.0418 -11.9662   15.615 -17.0286   7.8895   43.858   21.257   27.002   13.461 16.85547 25.16061 
1 1 1  -45    8   10 o   52.944   16.839   5.0051   9.8055   7.2432   16.021   3.6644   12.399   55.950   25.193   49.939   22.349 6.011719 33.67723 
1 1 1  -45    8   11 o   71.460   18.404   13.273   9.6727   45.000   17.724  -0.1854   11.543   97.560   30.372   45.360   20.795 52.20007 36.80862 
1 1 1  -45    8   12 o   33.279   11.298  -8.8713   5.8352  -3.3684   8.7624 -13.2563   7.8218   37.886   17.631   28.671   14.133 9.214796 22.59638 
1 1 1  -45    8   13 o   43.305   13.257  -0.1101   6.0581   9.1463   9.1675  -7.2856   8.0716   53.422   21.233   33.188   15.879 20.23325 26.51337 
1 1 1  -45    8   14 o   67.755   15.418   16.761   6.3555   19.023   9.7712   15.103   8.3674   70.900   22.615   64.611   20.962 6.289032 30.83583 
1 1 1  -45    8   15 o   39.543   12.781  -3.4292   6.2150   3.1238   9.2683  -8.7835   8.3778   45.984   19.996   33.101   15.925 12.88323 25.56248 
1 1 1  -45    8   16 o   43.415   13.526   1.0997   6.2976  -2.6728   9.4210   4.1472   8.4675   40.445   18.632   46.386   19.614 -5.941238 27.05258 
1 1 1  -45    8   17 o   49.982   14.292   5.6354   6.3214  -0.0839   9.0957   10.979   8.7916   42.436   19.056   57.529   21.306 -15.09254 28.58439 
1 1 1  -45    8   18 o   36.617   12.163  -5.7094   6.2088  -9.5777   9.1793  -2.4472   8.4295   34.565   16.640   38.670   17.744 -4.105049 24.32533 
1 1 1  -45    8   19 o   58.218   15.332   11.186   6.5630   15.490   9.6653   7.5029   8.9399   64.970   22.539   51.466   20.791 13.50335 30.66387 
1 1 1  -45    8   20 o   56.657   14.925   9.6982   6.4736   17.941   9.7953   3.3063   8.6259   68.528   22.702   44.785   19.382 23.74268 29.85006 
1 1 1  -45    8   21 f   75.012   15.175   21.529   6.6853   16.435   9.9060   25.789   9.0595   64.903   22.801   85.121   20.030 -20.21857 30.34929 
1 1 1  -45    8   22 o   45.867   14.181   3.3831   6.7182   7.1274   9.8694   0.1499   9.1711   50.245   21.206   41.488   18.834 8.757053 28.36234 
1 1 1  -45    9    1 o   50.729   14.239   7.6020   5.8193   6.6474   8.9226   8.3085   7.6767   49.889   20.537   51.568   19.730 -1.679001 28.47858 
1 1 1  -45    9    2 o   42.782   13.125   2.2401   5.7385  -1.4315   8.8636   4.8895   7.5295   40.018   18.301   45.546   18.819 -5.527954 26.25045 
1 1 1  -45    9    3 o   51.011   13.886   5.3362   5.9277   15.750   9.1569  -2.1760   7.7771   65.000   21.956   37.022   17.008 27.97875 27.77265 
1 1 1  -45    9    4 f   34.921   11.726  -6.1743   5.8204  -3.9915   9.1879  -7.6374   7.5223   38.243   17.883   31.599   15.174 6.644423 23.45261 
1 1 1  -45    9    5 o   41.498   12.917   0.5909   5.9134  -5.5641   8.9840   5.2959   7.8548   36.546   17.273   46.450   19.210 -9.903572 25.83313 
1 1 1  -45    9    6 o   30.509   10.603 -15.7886   5.8651  -4.1193   8.8161 -25.0541   7.8557   37.380   17.491   23.638   11.989 13.74217 21.20524 
1 1 1  -45    9    7 o   45.386   13.505   4.1876   5.7992   0.0748   9.0378   7.0661   7.5610   41.748   18.848   49.024   19.346 -7.275551 27.01011 
1 1 1  -45    9    8 o   37.078   12.240  -5.1075   6.0628   0.6572   9.1088  -9.6927   8.1237   42.513   19.081   31.643   15.336 10.86967 24.48031 
1 1 1  -45    9    9 o   43.260   14.906 -10.1476   7.2337   8.4122   17.759 -13.8393   7.9205   57.852   26.242   28.669   14.149 29.18305 29.81296 
1 1 1  -45    9   10 o   42.685   14.359  -8.4288   9.4374 -24.8198   16.264  -0.1078   11.588   39.544   19.649   45.827   20.945 -6.282959 28.71881 
1 1 1  -45    9   11 o   61.539   17.219   12.713   9.9512  -7.0743   17.732   21.811   12.023   49.146   23.519   73.932   25.157 -24.78598 34.43876 
1 1 1  -45    9   12 o   36.700   17.364  -6.3215   9.1243  -6.3215   9.1243   0.0000   0.0000   36.700   17.364  ?   ?       ?      ? 
1 1 1  -45    9   13 o   76.981   14.749   20.024   6.4516   28.930   9.9468   13.556   8.4764   91.638   20.589   62.323   21.124 29.31491 29.49799 
1 1 1  -45    9   14 o   48.624   13.473   3.5527   6.2401  -9.3220   9.5541   13.131   8.2406   35.597   17.095   61.650   20.828 -26.05319 26.94553 
1 1 1  -45    9   15 o   58.559   15.287   11.113   6.4451   15.158   9.6639   7.8729   8.6498   64.928   22.537   52.191   20.662 12.73761 30.57487 
1 1 1  -45    9   16 o   66.948   14.839   15.933   6.5325   8.1641   9.6070   22.614   8.9092   53.235   21.536   80.662   20.421 -27.42665 29.67826 
1 1 1  -45    9   17 o   42.873   13.592  -0.0884   6.5781   3.9388   9.6043  -3.6469   9.0281   47.256   20.451   38.490   17.907 8.765854 27.18309 
1 1 1  -45    9   18 o   57.518   15.405   11.708   6.5937   10.569   9.9715   12.593   8.7897   55.881   22.165   59.155   21.400 -3.273949 30.80949 
1 1 1  -45    9   19 o   32.208   11.090 -14.1790   6.5053 -27.3388   9.7536  -3.6343   8.7309   27.046   13.677   37.371   17.461 -10.32479 22.17927 
1 1 1  -45    9   20 o   46.214   13.245   1.0428   6.4078 -14.0395   9.4592   13.833   8.7109   31.793   15.647   60.636   21.374 -28.84354 26.48920 
1 1 1  -45   10    1 o   44.821   13.478   0.9885   5.9725   9.1669   9.1528  -5.0763   7.8818   54.634   21.369   35.009   16.431 19.62531 26.95626 
1 1 1  -45   10    2 o   43.983   13.273   1.4832   6.0659  -6.7553   9.3471   7.4770   7.9727   36.980   17.520   50.985   19.944 -14.00517 26.54605 
1 1 1  -45   10    3 o   44.818   19.586   2.2147   8.9897   2.2147   8.9897   0.0000   0.0000   44.818   19.586  ?   ?       ?      ? 
1 1 1  -45   10    4 o   94.087   12.879   29.213   6.3084   25.726   9.5545   31.908   8.3996   86.122   20.771  102.051   15.232 -15.92901 25.75767 
1 1 1  -45   10    5 o   49.002   13.983   3.1273   6.0863   13.441   9.6056  -3.7914   7.8672   61.871   22.372   36.133   16.779 25.73779 27.96515 
1 1 1  -45   10    6 o   98.404   12.490   31.208   6.3977   30.489   9.7791   31.747   8.4591   95.154   19.669  101.653   15.400 -6.498711 24.98030 
1 1 1  -45   10    7 o   45.897   14.069   2.7689   6.3834   4.8091   9.7876   1.2587   8.4208   49.106   20.938   42.688   18.798 6.417984 28.13804 
1 1 1  -45   10    8 o   49.202   14.349   5.0830   6.1206   9.6055   9.6857   2.0765   7.8972   55.635   21.915   42.769   18.527 12.86603 28.69730 
1 1 1  -45   10    9 o   68.838   18.397   14.331   7.7948   29.865   17.589   10.535   8.6952   80.953   30.105   56.722   21.153 24.23046 36.79353 
1 1 1  -45   10   10 o   63.615   18.586   6.8208   10.081   32.545   18.633  -3.8243   11.987   83.129   30.972   44.101   20.556 39.02863 37.17255 
1 1 1  -45   10   11 o   53.135   15.892   6.7379   7.7068   5.1910   9.9019   9.1149   12.274   49.682   21.118   56.587   23.754 -6.905113 31.78405 
1 1 1  -45   10   12 o   49.051   14.505   5.3841   6.3938   7.0115   9.6643   4.1172   8.5266   51.702   21.339   46.401   19.654 5.301254 29.01079 
1 1 1  -45   10   13 o   42.913   13.365  -1.1186   6.3032   7.4796   9.4754  -7.9434   8.4419   51.949   21.248   33.877   16.216 18.07259 26.72914 
1 1 1  -45   10   14 o   46.114   13.941   2.4068   6.3401   9.3650   9.6190  -2.9382   8.4306   54.395   21.708   37.833   17.498 16.56214 27.88247 
1 1 1  -45   10   15 o   61.194   14.966   13.664   6.2848   9.1820   9.4180   17.262   8.4386   53.609   21.451   68.779   20.876 -15.16999 29.93240 
1 1 1  -45   10   16 o   52.486   14.776   7.5112   6.5017   14.675   9.8898   2.0580   8.6284   61.996   22.658   42.976   18.971 19.01967 29.55107 
1 1 1  -45   10   17 o   42.387   13.549  -0.2375   6.6590   4.7543   9.9678  -4.2610   8.9490   47.598   20.717   37.177   17.468 10.42054 27.09824 
1 1 1  -45   10   18 o   43.694   13.699   0.1920   6.5600   8.6006   10.124  -5.8942   8.6129   52.280   21.730   35.108   16.686 17.17289 27.39708 
1 1 1  -45   11    1 o   39.673   12.730  -1.4432   6.1130  -6.9754   9.3597   2.6722   8.0727   36.255   17.277   43.091   18.699 -6.836731 25.45908 
1 1 1  -45   11    2 o   49.559   14.459   6.1875   6.2127   9.3804   9.6536   3.9301   8.1170   54.184   21.704   44.933   19.111 9.251640 28.91874 
1 1 1  -45   11    3 o   38.178   12.511  -3.2505   6.1148  -1.1075   9.0592  -5.0440   8.2875   40.761   18.587   35.595   16.751 5.166885 25.02137 
1 1 1  -45   11    4 o   53.860   13.526   7.4318   6.1387  -5.0546   9.1581   17.620   8.2723   37.495   17.634   70.224   20.514 -32.72942 27.05210 
1 1 1  -45   11    5 o   29.242   10.253 -16.4409   6.1430 -19.3029   9.1672 -14.1082   8.2760   29.028   14.477   29.457   14.524 -0.4290829 20.50663 
1 1 1  -45   11    6 o   35.643   11.926  -5.9229   6.0070  -4.4690   9.1639  -7.0183   7.9542   38.010   17.801   33.275   15.877 4.734577 23.85228 
1 1 1  -45   11    7 o   36.671   12.258  -6.4922   6.3627  -1.9608   9.5559 -10.1011   8.5280   40.912   18.817   32.430   15.716 8.482712 24.51649 
1 1 1  -45   11    8 o   43.318   13.404   1.2935   6.2484  -4.5129   9.2975   6.0760   8.4380   38.164   17.891   48.472   19.964 -10.30750 26.80804 
1 1 1  -45   11    9 o   73.363   20.389   23.808   11.294   32.410   19.603   19.534   13.817   78.646   31.115   68.081   26.359 10.56495 40.77890 
1 1 1  -45   11   10 o   56.333   17.641   8.8878   10.418   6.1261   18.302   10.212   12.672   56.178   25.912   56.488   23.945 -0.3092842 35.28181 
1 1 1  -45   11   11 o   38.139   13.002  -9.0517   7.6184 -10.8115   9.6454  -6.1329   12.422   34.212   16.611   42.066   20.007 -7.853512 26.00344 
1 1 1  -45   11   12 f   40.203   12.859  -1.4183   6.2907  -8.4341   9.4937   4.0733   8.3993   35.311   16.979   45.096   19.316 -9.785400 25.71798 
1 1 1  -45   11   13 o   53.866   14.167   5.5564   6.4755   20.596   9.9906  -5.3389   8.5035   72.319   22.847   35.413   16.758 36.90569 28.33370 
1 1 1  -45   11   14 o   43.097   13.622   0.3914   6.5652   6.5358   9.9133  -4.4089   8.7621   49.567   21.101   36.626   17.233 12.94069 27.24436 
1 1 1  -45   11   15 o   42.157   13.404   1.0202   6.4028  -0.4929   9.5200   2.2700   8.6520   41.396   18.944   42.918   18.969 -1.522530 26.80798 
1 1 1  -45   12    2 o   43.942   13.516   2.5731   6.2592  -2.9101   9.3578   7.0122   8.4200   38.970   18.164   48.913   20.021 -9.943310 27.03252 
1 1 1  -45   12    3 o   47.206   13.782   4.8193   6.2272  -2.7999   9.3217   10.960   8.3685   39.009   18.164   55.402   20.733 -16.39268 27.56473 
1 1 1  -45   12    4 o   68.030   14.569   15.987   6.5668   28.574   9.9079   6.1261   8.7695   88.095   21.093   47.966   20.103 40.12939 29.13851 
1 1 1  -45   12    5 o   44.270   13.773   2.0907   6.3836   7.0583   9.7790  -1.5981   8.4268   50.081   21.121   38.459   17.682 11.62178 27.54550 
1 1 1  -45   12    6 o   82.450   14.921   25.398   6.6691   23.941   10.186   26.492   8.8231   78.155   22.745   86.745   19.319 -8.590530 29.84212 
1 1 1  -45   12    7 o   55.581   14.992   11.078   6.3520   8.6328   9.6376   12.957   8.4460   52.077   21.380   59.084   21.023 -7.006935 29.98438 
1 1 1  -45   12    8 o   47.918   14.673   5.0573   6.8524   7.1294   10.915   3.7091   8.8036   50.987   21.934   44.849   19.495 6.137714 29.34550 
1 1 1  -45   12    9 o   75.513   19.182   15.078   10.935   59.032   20.125  -3.3356   13.026  106.831   32.197   44.196   20.861 62.63548 38.36433 
1 1 1  -44    0    1 o   39.340   15.616   6.4136   7.0929   6.4136   7.0929   6.4136   7.0929   39.340   22.085   39.340   22.085 0.000000 0.000000 
1 1 1  -44    0    2 o   49.792   17.128   10.823   7.6537   10.823   7.6537   10.823   7.6537   49.792   24.223   49.792   24.223 0.000000 0.000000 
1 1 1  -44    0    3 o   41.063   16.148   7.1090   7.4993   7.1090   7.4993   7.1090   7.4993   41.063   22.837   41.063   22.837 0.000000 0.000000 
1 1 1  -44    0    4 o   19.493   9.9169 -11.8441   7.2465 -11.8441   7.2465 -11.8441   7.2465   19.493   14.025   19.493   14.025 0.000000 0.000000 
1 1 1  -44    0    5 o   45.389   16.761   9.0270   7.6148   9.0270   7.6148   9.0270   7.6148   45.389   23.704   45.389   23.704 0.000000 0.000000 
1 1 1  -44    0    6 o   45.533   16.824   9.0913   7.6756   9.0913   7.6756   9.0913   7.6756   45.533   23.793   45.533   23.793 0.000000 0.000000 
1 1 1  -44    0    7 o  146.380   7.9674   60.189   8.7911   60.189   8.7911   60.189   8.7911  146.380   11.268  146.380   11.268 0.000000 0.000000 
1 1 1  -44    0   12 o  136.216   9.5055   53.227   9.6736   53.227   9.6736   53.227   9.6736  136.216   13.443  136.216   13.443 0.000000 0.000000 
1 1 1  -44    0   13 o   75.984   17.058   21.056   8.7170   21.056   8.7170   21.056   8.7170   75.984   24.123   75.984   24.123 0.000000 0.000000 
1 1 1  -44    0   14 o   59.466   17.683   14.746   8.0887   14.746   8.0887   14.746   8.0887   59.466   25.008   59.466   25.008 0.000000 0.000000 
1 1 1  -44    0   15 o   37.872   15.978   5.3756   8.1625   5.3756   8.1625   5.3756   8.1625   37.872   22.596   37.872   22.596 0.000000 0.000000 
1 1 1  -44    0   16 o  103.438   11.455   32.400   8.3919   32.400   8.3919   32.400   8.3919  103.438   16.200  103.438   16.200 0.000000 0.000000 
1 1 1  -44    0   17 o   23.922   11.808  -6.4677   7.8850  -6.4677   7.8850  -6.4677   7.8850   23.922   16.699   23.922   16.699 0.000000 0.000000 
1 1 1  -44    0   18 o   19.606   9.9959 -12.6558   7.5481 -12.6558   7.5481 -12.6558   7.5481   19.606   14.136   19.606   14.136 0.000000 0.000000 
1 1 1  -44    0   19 o   21.890   11.004  -9.7712   7.9176  -9.7712   7.9176  -9.7712   7.9176   21.890   15.563   21.890   15.563 0.000000 0.000000 
1 1 1  -44    0   20 o   18.056   9.3222 -17.5303   7.7821 -17.5303   7.7821 -17.5303   7.7821   18.056   13.184   18.056   13.184 0.000000 0.000000 
1 1 1  -44    0   21 o   27.304   13.098  -3.1390   8.1941  -3.1390   8.1941  -3.1390   8.1941   27.304   18.523   27.304   18.523 0.000000 0.000000 
1 1 1  -44    0   23 o   27.807   13.361  -3.4082   8.5981  -3.4082   8.5981  -3.4082   8.5981   27.807   18.895   27.807   18.895 0.000000 0.000000 
1 1 1  -44    0   24 o   21.012   10.686 -13.1420   8.3810 -13.1420   8.3810 -13.1420   8.3810   21.012   15.112   21.012   15.112 0.000000 0.000000 
1 1 1  -44    0   25 o   21.879   11.084 -12.1186   8.6478 -12.1186   8.6478 -12.1186   8.6478   21.879   15.674   21.879   15.674 0.000000 0.000000 
1 1 1  -44    0   26 o   32.172   14.813   1.4354   8.8089   1.4354   8.8089   1.4354   8.8089   32.172   20.949   32.172   20.949 0.000000 0.000000 
1 1 1  -44    0   27 f   32.811   15.017   2.0280   8.8724   2.0280   8.8724   2.0280   8.8724   32.811   21.237   32.811   21.237 0.000000 0.000000 
1 1 1  -44    0   28 o   52.037   18.469   13.005   9.0177   13.005   9.0177   13.005   9.0177   52.037   26.119   52.037   26.119 0.000000 0.000000 
1 1 1  -44    0   29 o   44.985   17.743   9.5807   9.0836   9.5807   9.0836   9.5807   9.0836   44.985   25.092   44.985   25.092 0.000000 0.000000 
1 1 1  -44    0   30 o   32.779   15.044   1.7210   8.9888   1.7210   8.9888   1.7210   8.9888   32.779   21.275   32.779   21.275 0.000000 0.000000 
1 1 1  -44    0   31 o   60.028   18.943   16.879   9.2286   16.879   9.2286   16.879   9.2286   60.028   26.790   60.028   26.790 0.000000 0.000000 
1 1 1  -44    1    1 o  106.232   9.8741   32.639   5.6635   33.095   8.1965   32.221   7.8346  106.823   14.200  105.641   13.725 1.182289 19.74813 
1 1 1  -44    1    2 o   69.338   11.508   14.388   5.4243  -0.4878   7.9171   27.549   7.4467   41.150   18.168   97.526   14.130 -56.37640 23.01630 
1 1 1  -44    1    3 o   38.392   12.021  -2.6410   5.2461  -8.7494   7.5443   3.0784   7.3000   32.065   15.344   44.718   18.508 -12.65378 24.04130 
1 1 1  -44    1    4 o   47.483   13.148   3.6208   5.1971   9.5798   7.7367  -1.2793   7.0158   57.014   20.139   37.952   16.910 19.06176 26.29695 
1 1 1  -44    1    5 o   56.498   13.419   8.6931   5.4480   1.2221   7.9483   15.313   7.4821   43.423   18.699   69.574   19.251 -26.15184 26.83706 
1 1 1  -44    1    6 o   53.025   13.842   7.5903   5.2983   5.6228   7.5363   9.5131   7.4503   49.359   19.367   56.691   19.782 -7.331345 27.68397 
1 1 1  -44    1    7 o   64.793   16.313   11.042   6.5426   7.9892   7.6275   19.541   12.728   53.796   19.861   75.790   25.883 -21.99446 32.62511 
1 1 1  -44    1    8 o   68.465   16.991   15.075   7.7042   15.189   9.9521   14.905   12.170   68.508   22.890   68.422   25.115 0.8554840E-01 33.98120 
1 1 1  -44    1   10 o   74.361   18.165   18.526   8.5720   18.698   15.188   18.446   10.384   74.315   27.908   74.407   23.261 -0.9218597E-01 36.33078 
1 1 1  -44    1   11 o  123.361   11.309   44.658   7.0668   43.954   8.6168   46.104   12.350  123.775   12.883  122.947   18.589 0.8275146 22.61726 
1 1 1  -44    1   12 o   78.304   13.430   18.782   5.9177   10.361   7.8732   29.717   8.9717   58.372   20.337   98.235   17.545 -39.86252 26.85960 
1 1 1  -44    1   13 o   60.592   14.566   11.487   5.7314   12.963   8.0421   9.9648   8.1703   63.606   20.541   57.578   20.657 6.027653 29.13156 
1 1 1  -44    1   14 o   67.071   13.936   14.515   5.7990   20.757   8.0409   7.7503   8.3712   80.619   18.803   53.522   20.573 27.09695 27.87123 
1 1 1  -44    1   15 o   71.271   13.862   16.562   5.5104   15.649   7.7402   17.500   7.8466   69.222   19.732   73.321   19.475 -4.099655 27.72458 
1 1 1  -44    1   16 o   54.078   14.047   8.2918   5.5591   11.740   7.7950   4.7232   7.9302   60.462   20.258   47.694   19.465 12.76763 28.09424 
1 1 1  -44    1   17 o   56.047   14.430   9.4066   5.7254   11.585   8.1161   7.2487   8.0780   60.114   20.665   51.981   20.146 8.133148 28.86052 
1 1 1  -44    1   18 o   59.302   14.401   11.105   5.6084   9.4004   7.8811   12.853   7.9828   55.795   20.251   62.808   20.479 -7.012817 28.80101 
1 1 1  -44    1   19 o   65.121   14.658   13.784   5.9190   17.094   8.4029   10.524   8.3389   71.893   20.582   58.350   20.876 13.54317 29.31616 
1 1 1  -44    1   20 o   43.948   13.393   1.5354   5.7887   0.1959   8.0449   2.9735   8.3356   41.847   18.402   46.048   19.465 -4.201653 26.78636 
1 1 1  -44    1   21 o   48.865   13.857   4.5450   5.8083   8.9631   8.1835   0.0601   8.2452   55.550   20.559   42.179   18.586 13.37076 27.71491 
1 1 1  -44    1   22 o   93.856   12.451   27.207   6.1646   29.297   8.5967   24.995   8.8446   99.067   16.059   88.646   19.033 10.42052 24.90255 
1 1 1  -44    1   23 o   64.125   15.056   13.227   6.1779   10.381   8.6882   16.139   8.7864   58.451   21.256   69.798   21.328 -11.34734 30.11105 
1 1 1  -44    1   24 o   53.410   13.744   4.9420   6.1804   16.627   8.8933  -5.9729   8.5951   70.192   21.459   36.627   17.181 33.56518 27.48896 
1 1 1  -44    1   25 o   55.918   14.303   8.8536   6.2360   0.5969   9.0613   16.283   8.5951   43.406   19.287   68.430   21.125 -25.02342 28.60514 
1 1 1  -44    1   26 o   37.839   12.360  -3.6951   6.0656  -8.5795   8.6738   0.9795   8.4854   33.758   16.232   41.919   18.643 -8.160736 24.71931 
1 1 1  -44    1   27 o   58.333   14.581   11.273   6.1745   4.8671   8.5971   18.097   8.8737   46.741   19.763   69.925   21.445 -23.18446 29.16271 
1 1 1  -44    1   28 o   55.016   13.858   7.1824   6.3354  -4.6387   9.0378   18.603   8.8833   37.886   17.722   72.147   21.311 -34.26051 27.71682 
1 1 1  -44    1   29 o   46.041   13.961   3.2848   6.2433   5.3610   8.9982   1.3575   8.6696   48.833   20.407   43.248   19.057 5.584999 27.92213 
1 1 1  -44    1   30 o   38.103   12.448  -3.5670   6.1408  -8.1180   8.8637   0.6333   8.5154   34.555   16.561   41.651   18.589 -7.096760 24.89607 
1 1 1  -44    1   31 o   58.794   14.653   11.558   6.5229   2.8318   9.2546   20.172   9.1953   44.643   19.680   72.946   21.714 -28.30300 29.30553 
1 1 1  -44    2    1 o   51.241   13.490   6.6687   5.1624   3.2738   7.3291   10.012   7.2727   44.987   18.576   57.495   19.566 -12.50891 26.97956 
1 1 1  -44    2    2 o   68.510   13.564   14.669   5.2883   18.469   7.7705   11.390   7.2176   76.465   18.911   60.554   19.450 15.91113 27.12806 
1 1 1  -44    2    3 o   63.057   12.897   11.520   5.3423   2.8289   7.4756   20.591   7.6373   44.656   18.626   81.458   17.844 -36.80189 25.79434 
1 1 1  -44    2    4 o   71.267   13.548   15.409   5.5516   23.222   8.4129   9.3829   7.3887   86.202   18.606   56.332   19.697 29.86988 27.09585 
1 1 1  -44    2    5 f   52.723   14.090   7.3161   5.4793   7.8799   8.0925   6.8388   7.4457   54.058   20.358   51.388   19.486 2.670166 28.18022 
1 1 1  -44    2    6 o   47.010   14.363   0.9119   6.2834  -1.3842   7.6340   5.7342   11.064   39.393   17.590   54.627   22.711 -15.23460 28.72638 
1 1 1  -44    2    7 o   61.455   16.275   10.342   7.2282   7.1216   9.3144   15.218   11.460   54.235   21.451   68.674   24.483 -14.43872 32.55095 
1 1 1  -44    2    8 o  115.709   13.430   41.794   7.9574   44.302   10.395   38.243   12.368  122.681   15.680  108.737   21.807 13.94437 26.85950 
1 1 1  -44    2    9 o   27.360   13.623 -18.3717   7.9789   0.0000   0.0000 -18.3717   7.9789  ?   ?    27.360   13.623      ?      ? 
1 1 1  -44    2   10 o   87.160   18.307   26.086   9.0257   29.437   14.848   24.122   11.367   90.057   27.760   84.264   23.875 5.793579 36.61455 
1 1 1  -44    2   11 o   65.690   17.898   10.336   9.1339   22.950   14.863   2.6824   11.578   79.828   27.936   51.552   22.383 28.27592 35.79655 
1 1 1  -44    2   12 f   46.946   13.507   3.1232   5.6894   8.3746   8.0415  -2.1403   8.0507   54.546   20.342   39.346   17.774 15.19960 27.01311 
1 1 1  -44    2   13 o   43.889   13.282   1.9118   5.6034   2.2427   7.7190   1.5432   8.1471   43.927   18.658   43.850   18.907 0.7676315E-01 26.56324 
1 1 1  -44    2   14 o   69.269   14.049   15.679   5.5589   14.032   7.9212   17.276   7.8031   65.591   20.285   72.947   19.443 -7.356003 28.09831 
1 1 1  -44    2   15 o   53.781   13.728   6.9978   5.6723  -0.0248   7.8672   14.601   8.1859   41.043   18.116   66.520   20.630 -25.47666 27.45510 
1 1 1  -44    2   16 o   43.255   13.045   1.6444   5.4550   4.7637   7.9000  -1.1982   7.5416   47.675   19.440   38.834   17.401 8.841084 26.09021 
1 1 1  -44    2   17 o   46.914   13.742   3.9226   5.7610   1.7121   8.2879   5.9892   8.0136   44.031   19.027   49.797   19.833 -5.766804 27.48380 
1 1 1  -44    2   18 o   44.705   13.268   1.5481   5.7063   7.3196   8.2203  -3.8194   7.9274   52.380   20.317   37.030   17.071 15.35030 26.53635 
1 1 1  -44    2   19 o   55.365   14.561   8.9230   5.8137   8.6950   8.0251   9.1749   8.4336   54.765   20.341   55.965   20.839 -1.199711 29.12129 
1 1 1  -44    2   20 o   63.305   14.082   12.216   5.8588   5.2782   8.1839   19.510   8.3912   49.216   19.889   77.394   19.941 -28.17783 28.16367 
1 1 1  -44    2   21 o   96.166   12.522   28.700   6.3205   32.410   8.8370   24.815   9.0436  104.405   15.664   87.928   19.541 16.47688 25.04387 
1 1 1  -44    2   22 o   77.309   20.138   19.465   8.4966   19.465   8.4966   0.0000   0.0000   77.309   20.138  ?   ?       ?      ? 
1 1 1  -44    2   23 o   44.071   13.513   0.4152   6.0897  -3.6989   8.3759   5.0285   8.8696   38.341   17.628   49.802   20.485 -11.46099 27.02552 
1 1 1  -44    2   24 o   37.978   12.407  -4.4997   6.0447  -1.0445   8.5322  -7.9814   8.5649   41.112   18.459   34.845   16.584 6.266850 24.81449 
1 1 1  -44    2   25 o   42.904   13.088  -0.9813   6.1183   8.1862   8.6639 -10.1012   8.6414   52.783   20.748   33.024   15.959 19.75920 26.17568 
1 1 1  -44    2   26 o   59.377   14.407   11.341   6.1267   19.827   8.9841   3.9646   8.3767   73.456   21.356   45.298   19.343 28.15862 28.81390 
1 1 1  -44    2   27 f   60.267   15.331   13.065   6.3943   14.777   9.1454   11.427   8.9439   63.267   21.926   57.266   21.434 6.000957 30.66187 
1 1 1  -44    2   28 o   46.309   14.049   3.1436   6.3860   6.4898   9.1666  -0.0119   8.9015   50.530   20.810   42.087   18.879 8.442280 28.09732 
1 1 1  -44    2   29 o   41.284   13.234  -1.1429   6.3948   0.6074   9.1126  -2.8413   8.9763   43.145   19.245   39.423   18.171 3.722206 26.46781 
1 1 1  -44    2   30 o   48.039   13.979   4.8579   6.2294   10.610   8.6359  -1.3819   8.9944   55.790   21.026   40.289   18.428 15.50170 27.95893 
1 1 1  -44    2   31 f   43.379   13.436   2.6908   6.0212   3.7313   8.5611   1.6722   8.4701   44.687   19.324   42.071   18.672 2.615646 26.87163 
1 1 1  -44    3    1 o   50.114   13.515   6.3883   5.1100   7.6998   7.2167   5.0696   7.2366   52.544   19.332   47.684   18.892 4.860016 27.03012 
1 1 1  -44    3    2 o   65.355   11.094   11.664   5.1600   25.395   7.2476  -2.4505   7.3481   93.381   14.363   37.330   16.911 56.05048 22.18778 
1 1 1  -44    3    3 o   67.582   14.092   14.483   5.5193   16.873   8.0701   12.382   7.5652   72.478   19.968   62.687   19.889 9.790386 28.18325 
1 1 1  -44    3    4 o   36.530   11.769  -2.9935   5.1316  -4.0493   7.4263  -2.0288   7.0990   35.866   16.530   37.195   16.757 -1.328724 23.53775 
1 1 1  -44    3    5 o   55.239   13.660   6.8189   6.2921   16.356   8.1393  -7.3446   9.9190   71.325   20.201   39.152   18.394 32.17373 27.32056 
1 1 1  -44    3    6 o   53.261   14.917   4.4539   6.7121  -1.9739   8.8185   13.306   10.349   41.489   18.685   65.033   23.257 -23.54423 29.83332 
1 1 1  -44    3    7 o   79.227   16.315   21.438   7.5616   24.797   9.9614   16.872   11.615   87.237   21.313   71.216   24.708 16.02069 32.63083 
1 1 1  -44    3    8 o   44.108   12.729  -4.2675   5.7554   11.225   8.8057 -15.8216   7.6044   60.609   21.477   27.608   13.669 33.00089 25.45754 
1 1 1  -44    3    9 o   39.971   11.837  -6.9138   5.5412 -23.5080   7.9697   8.6154   7.7097   25.093   12.649   54.848   20.011 -29.75541 23.67356 
1 1 1  -44    3   10 o   48.268   15.289  -8.4009   8.6735   10.396   13.720 -20.9144   11.194   62.669   25.593   33.867   16.734 28.80194 30.57835 
1 1 1  -44    3   11 o   76.271   18.294   19.000   8.6689   26.914   14.796   14.863   10.697   85.290   27.884   67.253   23.688 18.03754 36.58791 
1 1 1  -44    3   12 o   36.291   12.321 -10.1036   6.4386 -11.9989   7.9200  -6.4099   11.056   30.600   14.901   41.983   19.627 -11.38269 24.64239 
1 1 1  -44    3   13 o   83.932   13.189   22.469   5.8268   22.594   8.2106   22.341   8.2705   84.251   18.538   83.613   18.766 0.6384277 26.37815 
1 1 1  -44    3   14 o   77.942   13.804   19.787   5.7989   20.076   8.3408   19.516   8.0678   78.379   19.712   77.505   19.329 0.8742447 27.60786 
1 1 1  -44    3   15 o   37.898   12.135  -3.4237   5.5604   1.7449   7.7680  -8.8550   7.9629   43.044   18.510   32.752   15.697 10.29154 24.26966 
1 1 1  -44    3   16 f   55.342   13.269   7.2108   5.7200  -3.0210   8.1116   17.331   8.0671   38.211   17.486   72.473   19.963 -34.26249 26.53839 
1 1 1  -44    3   17 o   34.380   11.470  -7.0021   5.5933 -10.0471   7.8010  -3.7808   8.0238   31.476   15.200   37.285   17.183 -5.808607 22.94096 
1 1 1  -44    3   18 o   52.699   14.306   7.4955   5.7532   6.0129   8.3253   8.8506   7.9595   50.442   20.173   54.955   20.288 -4.513420 28.61099 
1 1 1  -44    3   19 f   32.677   10.984 -10.5282   5.6194 -20.6079   8.3011  -2.0021   7.6346   27.036   13.528   38.318   17.309 -11.28203 21.96861 
1 1 1  -44    3   20 o   38.759   12.630  -4.3985   6.1751  -1.7686   8.7379  -7.0224   8.7278   41.206   18.575   36.312   17.120 4.894184 25.26099 
1 1 1  -44    3   21 o   68.057   14.836   14.994   6.1005   11.482   8.4461   18.825   8.8209   60.531   21.066   75.583   20.897 -15.05217 29.67258 
1 1 1  -44    3   22 o   34.846   16.530  -7.7435   8.3736  -7.7435   8.3736   0.0000   0.0000   34.846   16.530  ?   ?       ?      ? 
1 1 1  -44    3   23 o   40.036   12.843  -2.2086   6.0191  -2.0410   8.4956  -2.3776   8.5291   40.172   18.193   39.900   18.132 0.2712555 25.68558 
1 1 1  -44    3   24 o   57.694   14.136   9.2122   6.3239  -1.1545   9.2372   18.357   8.6759   42.158   19.042   73.231   20.896 -31.07296 28.27127 
1 1 1  -44    3   25 o   44.766   13.739   2.5736   6.2427  -0.2093   8.9420   5.2195   8.7192   41.671   18.787   47.861   20.052 -6.190590 27.47758 
1 1 1  -44    3   26 o   49.753   14.517   6.7875   6.3256   7.4981   9.0943   6.1216   8.8041   50.863   20.812   48.643   20.245 2.219868 29.03414 
1 1 1  -44    3   27 o   42.079   12.890  -3.5208   6.2520   9.4921   8.9584 -15.8768   8.7294   54.482   21.188   29.677   14.685 24.80502 25.77924 
1 1 1  -44    3   28 o   69.377   14.975   16.852   6.4816   23.412   9.2378   10.491   9.0967   81.983   20.815   56.772   21.535 25.21063 29.95049 
1 1 1  -44    3   29 o   48.428   14.451   4.9868   6.4981   6.6361   9.2946   3.4100   9.0884   50.673   20.921   46.183   19.941 4.489105 28.90210 
1 1 1  -44    3   30 o   46.527   14.164   4.0270   6.5313   6.9456   9.2077   1.0715   9.2657   50.051   20.757   43.003   19.277 7.048244 28.32759 
1 1 1  -44    3   31 o   30.974   15.279 -14.5052   9.1951   0.0000   0.0000 -14.5052   9.1951  ?   ?    30.974   15.279      ?      ? 
1 1 1  -44    4    1 f   52.799   13.771   7.8963   5.1906   7.2867   7.5089   8.4541   7.1832   51.819   19.588   53.779   19.361 -1.959728 27.54134 
1 1 1  -44    4    2 o   55.250   13.866   9.0617   5.1901   9.5693   7.4820   8.5910   7.2055   56.342   19.815   54.158   19.402 2.184418 27.73200 
1 1 1  -44    4    3 o   34.696   11.424  -5.1724   5.2115  -3.2311   7.6182  -6.8800   7.1449   37.085   16.962   32.307   15.309 4.777946 22.84878 
1 1 1  -44    4    4 o   64.718   15.931   13.376   7.0081   16.714   9.5344   9.4527   10.336   70.970   22.306   58.466   22.753 12.50497 31.86272 
1 1 1  -44    4    5 o   80.548   14.857   21.635   6.9129   29.595   9.6050   13.081   9.9572   96.912   19.020   64.183   22.828 32.72887 29.71333 
1 1 1  -44    4    6 o   51.626   14.666   3.6971   6.7005  -3.4257   9.0566   12.311   9.9594   40.412   18.487   62.840   22.772 -22.42824 29.33164 
1 1 1  -44    4    7 o   42.182   12.824   0.8942   5.3956  -2.5075   7.9666   3.7770   7.3337   38.746   17.575   45.619   18.680 -6.873653 25.64825 
1 1 1  -44    4    8 o   78.714   13.367   19.622   5.6022   21.456   8.3008   18.087   7.5920   82.037   19.084   75.390   18.722 6.647888 26.73415 
1 1 1  -44    4    9 o   35.358   11.619  -5.0653   5.4039  -7.7857   7.8740  -2.6433   7.4298   33.536   15.943   37.180   16.906 -3.643959 23.23829 
1 1 1  -44    4   10 o   56.760   16.862   6.5419   8.3444   9.3604   14.393   5.1149   10.241   61.520   25.768   52.001   21.755 9.518951 33.72301 
1 1 1  -44    4   11 o   81.139   18.575   21.864   9.0413   33.198   15.441   15.950   11.153   93.639   28.198   68.639   24.187 25.00007 37.15033 
1 1 1  -44    4   12 o   51.445   15.807   1.7950   8.7060  -8.7815   13.768   8.8423   11.238   45.131   21.346   57.759   23.318 -12.62719 31.61350 
1 1 1  -44    4   13 o   42.111   12.774   0.3644   5.4484  -4.5182   7.6236   5.4616   7.7895   35.550   16.511   48.673   19.497 -13.12250 25.54866 
1 1 1  -44    4   14 o   37.900   12.281  -3.6267   5.7111  -0.5915   8.3370  -6.3104   7.8393   41.340   18.426   34.459   16.240 6.881195 24.56124 
1 1 1  -44    4   15 o   78.964   13.844   20.447   5.8886   18.942   8.4875   21.843   8.1767   75.566   20.337   82.361   18.788 -6.795036 27.68761 
1 1 1  -44    4   16 o   38.732   12.387  -3.6532   5.7456   2.2864   8.3115  -9.0894   7.9515   44.889   19.221   32.576   15.632 12.31336 24.77471 
1 1 1  -44    4   17 o   55.323   14.424   8.8765   5.7252   10.926   8.2441   6.9675   7.9567   59.084   20.797   51.562   19.992 7.522614 28.84770 
1 1 1  -44    4   18 o   47.763   13.405   1.3301   5.8616   12.143   8.7889  -7.3328   7.8667   61.715   21.488   33.810   16.034 27.90494 26.81099 
1 1 1  -44    4   19 o   32.197   10.997 -13.6943   5.8698  -3.7717   8.5415 -22.5733   8.0799   38.729   17.804   25.666   12.912 13.06269 21.99334 
1 1 1  -44    4   20 o  133.218   10.805   53.522   6.7444   27.433   9.1265   84.912   10.011   93.148   18.780  173.287   10.691 -80.13892 21.61002 
1 1 1  -44    4   21 o   88.951   14.007   25.483   6.6167   31.991   9.5697   19.522   9.1588  101.212   18.165   76.690   21.327 24.52228 28.01432 
1 1 1  -44    4   22 o   44.558   13.232  -0.1470   6.0186   8.5636   8.4754  -9.0078   8.5481   54.881   20.794   34.236   16.369 20.64528 26.46429 
1 1 1  -44    4   23 o   54.833   13.860   6.3765   6.1679   17.390   8.8751  -3.9119   8.5780   71.404   21.351   38.263   17.680 33.14105 27.72069 
1 1 1  -44    4   24 o   74.685   14.439   19.368   6.2518   26.133   8.9946   13.045   8.6956   88.083   19.420   61.286   21.372 26.79779 28.87720 
1 1 1  -44    4   25 o   45.660   13.813   3.5726   6.2251  -0.4357   9.0742   7.1359   8.5558   41.315   18.747   50.004   20.290 -8.688999 27.62526 
1 1 1  -44    4   26 o   62.867   15.404   14.511   6.3776   15.284   9.2447   13.810   8.8097   64.128   22.055   61.607   21.510 2.520760 30.80747 
1 1 1  -44    4   27 o   55.842   15.105   10.018   6.3900   8.6675   9.1926   11.281   8.8888   53.748   21.293   57.937   21.430 -4.188538 30.21014 
1 1 1  -44    4   28 o   53.833   14.845   8.7888   6.2268   9.7541   9.0702   7.9283   8.5636   55.482   21.391   52.184   20.591 3.297665 29.69090 
1 1 1  -44    4   29 o   41.869   13.360  -0.2087   6.4600  -2.5796   9.3703   1.9388   8.9181   39.979   18.475   43.760   19.303 -3.781002 26.71997 
1 1 1  -44    4   30 o   65.525   14.659   15.643   6.5951   6.2314   9.4525   24.571   9.2062   48.974   20.716   82.076   20.747 -33.10218 29.31895 
1 1 1  -44    5    1 o   97.516   11.364   29.231   5.7417   25.724   8.5315   32.135   7.7628   90.199   18.133  104.834   13.703 -14.63515 22.72857 
1 1 1  -44    5    2 o   52.597   13.480   1.3109   6.0309  -9.8085   7.7461   18.426   9.6101   31.538   15.209   73.656   22.261 -42.11816 26.96003 
1 1 1  -44    5    3 o   32.800   11.292 -13.2809   6.4366 -11.2950   8.8063 -15.5586   9.4313   33.305   16.099   32.295   15.840 1.009953 22.58470 
1 1 1  -44    5    4 o   89.191   14.556   25.626   7.2886   15.597   9.9295   37.342   10.733   68.165   22.864  110.218   18.020 -42.05309 29.11167 
1 1 1  -44    5    5 o   47.710   14.605   1.2230   7.1479  -4.0360   10.109   6.4820   10.109   41.893   19.300   53.527   21.926 -11.63378 29.21017 
1 1 1  -44    5    6 o   44.257   13.228   1.8500   5.7047  -3.5610   8.7310   5.8808   7.5357   39.311   18.045   49.203   19.347 -9.892159 26.45634 
1 1 1  -44    5    7 o   55.665   14.777   8.7331   5.9083   10.581   9.4393   7.5430   7.5759   59.114   22.040   52.215   19.690 6.898731 29.55447 
1 1 1  -44    5    8 f   58.098   14.917   8.9943   6.1411   15.989   9.7859   4.4503   7.8876   68.852   22.685   47.344   19.378 21.50891 29.83490 
1 1 1  -44    5    9 o   36.904   12.198  -6.5332   5.9412  -1.4431   9.2540 -10.1025   7.7491   42.480   19.135   31.328   15.133 11.15219 24.39612 
1 1 1  -44    5   10 o   33.906   11.940 -16.3671   6.9095 -23.3333   14.430 -14.2947   7.8705   38.831   19.152   28.980   14.265 9.851027 23.88051 
1 1 1  -44    5   11 o   75.998   18.614   17.973   9.4429   33.964   15.850   9.1734   11.757   93.525   28.656   58.472   23.764 35.05298 37.22800 
1 1 1  -44    5   12 o   52.042   16.375   1.1864   9.0334   6.5923   14.557  -2.1993   11.520   58.148   25.172   45.937   20.951 12.21188 32.75013 
1 1 1  -44    5   13 o   42.359   13.006  -0.5536   5.8776  -6.9735   8.4248   5.5342   8.2040   35.394   16.728   49.325   19.920 -13.93079 26.01182 
1 1 1  -44    5   14 o   57.390   13.630   8.9275   5.7703   0.1714   8.2125   17.465   8.1092   41.992   18.524   72.788   20.001 -30.79657 27.26086 
1 1 1  -44    5   15 o   54.693   14.571   8.3127   5.8948   11.041   8.7300   6.0264   7.9919   59.424   21.349   49.961   19.835 9.462536 29.14121 
1 1 1  -44    5   16 o   38.566   12.520  -3.6226   5.9212  -2.1202   8.7615  -4.8856   8.0334   40.785   18.472   36.348   16.904 4.437378 25.03947 
1 1 1  -44    5   17 o   41.348   12.944  -0.8591   5.7989   2.4211   8.3339  -3.9380   8.0740   45.304   19.319   37.393   17.234 7.911079 25.88874 
1 1 1  -44    5   18 o   35.422   11.905  -8.2455   6.1552  -7.2971   9.1724  -9.0223   8.3019   37.169   17.532   33.676   16.110 3.493382 23.80959 
1 1 1  -44    5   19 f   97.648   12.349   29.564   6.2969   25.187   9.0911   33.600   8.7302   88.652   19.507  106.643   15.150 -17.99072 24.69874 
1 1 1  -44    5   20 o   68.315   15.113   15.182   6.3614   10.946   8.8903   19.627   9.1062   59.669   21.531   76.960   21.214 -17.29095 30.22653 
1 1 1  -44    5   21 o   40.381   13.029  -3.4435   6.3731   0.0991   9.1449  -6.7889   8.8866   43.966   19.463   36.796   17.326 7.170902 26.05750 
1 1 1  -44    5   22 o   40.206   12.890  -2.2415   6.0836   0.2571   8.7517  -4.5777   8.4626   42.995   19.036   37.418   17.384 5.577648 25.77976 
1 1 1  -44    5   23 o   45.918   14.011   3.0379   6.3412   3.7536   9.0135   2.3365   8.9229   46.871   20.041   44.965   19.586 1.906071 28.02239 
1 1 1  -44    5   24 o   41.966   13.134   0.1429   6.1270  -5.3463   8.7589   5.4028   8.5739   36.337   17.138   47.595   19.908 -11.25797 26.26810 
1 1 1  -44    5   25 o   43.392   13.519   2.0354   6.1752   2.8848   8.7514   1.1931   8.7148   44.406   19.368   42.379   18.868 2.027443 27.03880 
1 1 1  -44    5   26 o   43.747   13.696   1.0956   6.4535   3.6478   9.1920  -1.3852   9.0626   46.634   20.095   40.861   18.616 5.772243 27.39258 
1 1 1  -44    5   27 o   70.105   15.447   17.692   6.5573   15.088   9.4633   20.097   9.0946   64.925   22.315   75.284   21.364 -10.35871 30.89323 
1 1 1  -44    5   28 o   41.571   13.144  -2.2149   6.3064   6.1452   9.4063  -9.0409   8.4996   49.948   20.868   33.194   15.988 16.75374 26.28881 
1 1 1  -44    5   29 o   55.131   14.281   8.6626   6.4626  -1.3807   9.2088   18.409   9.0718   40.399   18.540   69.863   21.726 -29.46391 28.56126 
1 1 1  -44    5   30 o   44.773   13.808   2.4008   6.4967   8.0828   9.3750  -2.8487   9.0112   51.146   21.052   38.400   17.873 12.74557 27.61609 
1 1 1  -44    6    1 f   65.355   14.956   13.137   6.9078   22.905   9.6551   2.8941   9.8872   82.401   21.468   48.308   20.829 34.09266 29.91195 
1 1 1  -44    6    2 o  112.155   12.513   39.286   7.3245   44.054   10.223   34.257   10.500  121.225   15.606  103.084   19.565 18.14098 25.02639 
1 1 1  -44    6    3 o   39.127   12.939  -6.2299   6.7595  -8.8761   9.0601  -2.9077   10.152   35.491   16.937   42.763   19.567 -7.272266 25.87879 
1 1 1  -44    6    4 o   42.094   12.499  -0.7825   5.7428 -15.3176   9.5083   7.5647   7.2055   32.517   15.939   51.671   19.258 -19.15469 24.99882 
1 1 1  -44    6    5 o   47.087   13.553   3.9264   5.4874   7.8852   8.2722   0.8155   7.3330   53.303   20.460   40.870   17.779 12.43314 27.10542 
1 1 1  -44    6    6 o   44.868   12.738  -2.8088   5.6458   12.343   8.7275 -13.7120   7.4035   61.723   21.418   28.013   13.797 33.71027 25.47693 
1 1 1  -44    6    7 o   54.897   14.596   8.6373   5.7903   9.8605   9.1296   7.8141   7.4893   57.378   21.620   52.416   19.614 4.962540 29.19150 
1 1 1  -44    6    8 o   57.717   14.434   10.442   5.8069   6.4609   9.1732   13.103   7.5011   52.017   21.044   63.417   19.761 -11.39984 28.86769 
1 1 1  -44    6    9 f   62.312   14.863   12.495   5.8824   14.179   9.0379   11.257   7.7482   65.233   21.813   59.391   20.196 5.841080 29.72693 
1 1 1  -44    6   10 o   38.597   13.472 -12.5340   6.7878  -7.9009   15.904 -13.5659   7.5057   48.819   23.045   28.376   13.960 20.44325 26.94348 
1 1 1  -44    6   11 o   51.617   15.432   0.7225   8.7968 -21.0405   14.774   12.676   10.949   40.340   19.793   62.893   23.681 -22.55321 30.86355 
1 1 1  -44    6   12 o   47.820   15.593 -13.5220   8.8713   12.113   15.909 -25.0901   10.687   64.877   27.126   30.763   15.386 34.11469 31.18538 
1 1 1  -44    6   13 o   67.932   14.571   14.827   6.0389   20.720   8.8391   9.6697   8.2700   79.199   20.496   56.664   20.718 22.53524 29.14277 
1 1 1  -44    6   14 o   40.184   12.659  -3.3061   5.8025   4.2857   8.6681  -9.4704   7.8106   48.390   20.109   31.979   15.383 16.41106 25.31846 
1 1 1  -44    6   15 o   39.213   12.601  -2.7104   5.8755  -5.5009   8.7932  -0.4595   7.8974   37.702   17.584   40.724   18.054 -3.022236 25.20259 
1 1 1  -44    6   16 o   79.741   13.995   20.520   6.0180   23.505   8.7816   17.876   8.2636   85.511   19.445   73.970   20.134 11.54060 27.99076 
1 1 1  -44    6   17 o   89.151   12.851   24.499   6.0866   32.056   9.0231   18.190   8.2450  103.552   16.125   74.749   20.014 28.80309 25.70181 
1 1 1  -44    6   18 o  130.400   13.386   49.290   9.4324   49.290   9.4324   0.0000   0.0000  130.400   13.386  ?   ?       ?      ? 
1 1 1  -44    6   19 o  117.840   10.777   41.313   6.8183   37.775   9.8664   44.546   9.4333  112.272   16.263  123.408   14.146 -11.13518 21.55439 
1 1 1  -44    6   20 o   54.676   15.064   8.0027   6.3662   9.6946   9.6963   6.7207   8.4401   57.682   22.149   51.671   20.425 6.010563 30.12868 
1 1 1  -44    6   21 o   44.464   13.433  -0.2931   6.2223   8.2718   8.9425  -8.3321   8.6636   54.176   21.141   34.753   16.578 19.42297 26.86612 
1 1 1  -44    6   22 o   54.322   14.801   8.7977   6.2147   12.138   9.0773   5.8503   8.5263   59.648   21.721   48.995   20.111 10.65329 29.60171 
1 1 1  -44    6   23 o   46.376   14.070   4.1350   6.3421   2.6753   9.3624   5.3728   8.6214   45.168   19.857   47.583   19.937 -2.414948 28.13909 
1 1 1  -44    6   24 o   59.148   14.699   11.737   6.4009   4.2492   9.0995   19.072   9.0058   46.555   20.028   71.741   21.520 -25.18620 29.39728 
1 1 1  -44    6   25 o   59.216   15.289   12.131   6.3861   11.017   9.2741   13.135   8.8067   57.337   21.746   61.095   21.496 -3.758942 30.57716 
1 1 1  -44    6   26 o   40.611   13.013  -2.2634   6.3755  -7.9276   9.2448   2.8736   8.8039   35.893   17.123   45.329   19.599 -9.436275 26.02527 
1 1 1  -44    6   27 o   58.580   15.275   11.669   6.5108   8.4886   9.4124   14.586   9.0157   53.403   21.417   63.757   21.784 -10.35386 30.54932 
1 1 1  -44    6   28 o   53.982   14.794   9.4227   6.2767   12.839   8.9737   6.1503   8.7825   59.388   21.601   48.577   20.219 10.81120 29.58728 
1 1 1  -44    6   29 o   36.500   12.245  -6.3718   6.5856 -10.8781   9.3838  -1.9982   9.2446   33.391   16.252   39.609   18.321 -6.218124 24.49020 
1 1 1  -44    7    1 f   55.919   15.433   8.4582   6.8321   11.079   9.5168   5.6712   9.8141   59.909   22.171   51.929   21.474 7.979427 30.86538 
1 1 1  -44    7    2 o   44.301   13.149   1.5613   5.8158  -7.1261   9.3506   7.0422   7.4271   37.574   17.716   51.029   19.435 -13.45573 26.29776 
1 1 1  -44    7    3 o   49.225   11.958   1.8472   5.4380 -14.6714   8.0870   15.482   7.3472   29.350   14.449   69.099   19.059 -39.74850 23.91679 
1 1 1  -44    7    4 o   42.434   12.610  -1.8509   5.4577   8.7028   8.2814  -9.9541   7.2565   54.826   20.604   30.042   14.544 24.78415 25.22009 
1 1 1  -44    7    5 o   50.182   13.862   6.1288   5.6524   1.9013   8.6450   9.2855   7.4703   45.017   19.443   55.346   19.763 -10.32954 27.72374 
1 1 1  -44    7    6 o   69.110   13.356   13.977   5.5243   25.155   8.7078   6.4484   7.1466   88.680   18.758   49.541   19.017 39.13879 26.71121 
1 1 1  -44    7    7 o   33.550   11.337  -8.4043   5.6117  -6.4988   8.8423  -9.6894   7.2615   36.852   17.331   30.248   14.621 6.603857 22.67418 
1 1 1  -44    7    8 o   38.825   12.218  -4.6415   5.8522 -16.4070   8.8342   4.5592   7.8122   30.336   14.967   47.313   19.316 -16.97692 24.43576 
1 1 1  -44    7    9 o   46.832   13.918   3.4731   5.9872   1.7533   9.0874   4.7922   7.9588   45.722   19.840   47.942   19.526 -2.220257 27.83699 
1 1 1  -44    7   10 o   43.862   13.588  -0.0704   6.0844   4.5119   9.6216  -3.1239   7.8542   50.128   21.036   37.595   17.205 12.53375 27.17589 
1 1 1  -44    7   11 o   47.965   15.699  -4.0901   8.9377  -0.1373   15.691  -5.9887   10.874   54.107   24.590   41.823   19.523 12.28350 31.39753 
1 1 1  -44    7   12 o   41.657   13.998 -11.4267   8.9184 -29.0991   15.495  -2.6712   10.906   38.624   19.190   44.690   20.384 -6.066658 27.99567 
1 1 1  -44    7   13 o   40.082   12.615  -5.7453   6.0127   5.6968   8.9352 -15.2142   8.1283   50.933   20.710   29.231   14.409 21.70203 25.22951 
1 1 1  -44    7   14 o   81.368   21.084   21.894   9.3459   21.894   9.3459   0.0000   0.0000   81.368   21.084  ?   ?       ?      ? 
1 1 1  -44    7   15 o   80.936   20.326   21.375   8.8772   21.375   8.8772   0.0000   0.0000   80.936   20.326  ?   ?       ?      ? 
1 1 1  -44    7   16 o  147.307   12.407   62.298   9.8760   62.298   9.8760   0.0000   0.0000  147.307   12.407  ?   ?       ?      ? 
1 1 1  -44    7   17 o   67.840   15.011   15.128   6.2001   12.334   8.8914   17.772   8.6500   62.245   21.617   73.436   20.834 -11.19085 30.02232 
1 1 1  -44    7   18 o   44.228   13.564   1.1396   6.0373   3.4891   8.7007  -1.0419   8.3840   47.346   19.943   41.110   18.389 6.236588 27.12745 
1 1 1  -44    7   19 o   72.853   15.161   18.003   6.3722   17.402   9.1849   18.559   8.8480   71.493   21.798   74.213   21.077 -2.719818 30.32123 
1 1 1  -44    7   20 f   62.540   15.274   13.188   6.2515   14.488   9.3072   12.119   8.4385   64.739   22.134   60.341   21.053 4.397667 30.54720 
1 1 1  -44    7   21 o   71.368   14.099   17.115   6.4217   29.075   9.3964   6.6344   8.7965   92.669   19.387   50.067   20.475 42.60190 28.19749 
1 1 1  -44    7   22 o   63.952   15.696   15.170   6.6213   17.500   9.8310   13.235   8.9578   67.592   22.750   60.312   21.630 7.280193 31.39145 
1 1 1  -44    7   23 o   40.555   13.035  -1.3028   6.3738  -5.6852   9.4763   2.3177   8.6132   37.514   17.733   43.596   19.109 -6.081581 26.06924 
1 1 1  -44    7   24 o   98.747   12.760   31.920   6.6032   28.245   9.5528   35.281   9.1376   90.928   19.987  106.565   15.868 -15.63633 25.52032 
1 1 1  -44    7   25 o   53.910   14.260   7.1281   6.4612  -2.7594   9.3174   16.287   8.9677   40.238   18.534   67.582   21.677 -27.34420 28.52025 
1 1 1  -44    7   26 o   34.230   11.619 -10.2994   6.3771 -17.5589   9.1272  -3.3754   8.9137   29.830   14.805   38.630   17.911 -8.800291 23.23775 
1 1 1  -44    7   27 o   64.043   15.678   15.552   6.7822   11.943   9.9540   18.679   9.2660   57.777   22.372   70.309   21.972 -12.53237 31.35699 
1 1 1  -44    7   28 f   48.066   14.454   5.6043   6.6110   7.9677   9.4140   3.3047   9.2862   51.077   21.068   45.055   19.793 6.021320 28.90704 
1 1 1  -44    8    1 o   38.081   12.045  -4.3677   5.7008 -15.9222   8.9403   3.5494   7.4005   30.951   15.228   45.212   18.667 -14.26091 24.09099 
1 1 1  -44    8    2 o   41.644   12.809  -0.0063   5.6297  -5.9014   8.8107   4.0612   7.3186   37.422   17.503   45.866   18.707 -8.443546 25.61827 
1 1 1  -44    8    3 o   33.983   11.428  -8.3846   5.6350  -4.4989   8.6389 -11.2621   7.4342   38.247   17.697   29.719   14.464 8.527634 22.85655 
1 1 1  -44    8    4 o   35.330   11.705  -5.7747   5.6106  -7.9395   8.5330  -4.1259   7.4467   35.061   16.648   35.598   16.458 -0.5376091 23.40941 
1 1 1  -44    8    5 o   50.039   14.173   5.7322   5.7392   6.2085   9.0287   5.4093   7.4346   51.800   20.905   48.279   19.142 3.521412 28.34504 
1 1 1  -44    8    6 f   34.914   11.712  -8.7044   5.7294  -2.6682   9.1935 -12.5372   7.3259   41.242   18.774   28.586   14.008 12.65641 23.42399 
1 1 1  -44    8    7 f   41.994   12.855   0.1409   5.6748  -6.6644   9.0090   4.6173   7.3066   37.246   17.509   46.742   18.826 -9.496265 25.70952 
1 1 1  -44    8    8 o   32.309   11.090 -11.5662   5.9259 -11.3892   9.2501 -11.6894   7.7175   34.388   16.592   30.229   14.718 4.159506 22.17947 
1 1 1  -44    8    9 o   44.784   13.847   1.0112   6.2533   1.4372   9.8625   0.7247   8.0865   46.942   20.515   42.627   18.604 4.314415 27.69400 
1 1 1  -44    8   10 o   49.649   15.163   3.4068   7.0273  -8.0811   15.615   6.3244   7.8692   48.787   22.970   50.511   19.799 -1.723778 30.32527 
1 1 1  -44    8   11 o   64.458   17.292   12.187   9.5594  -6.2455   17.027   20.671   11.552   51.970   24.315   76.946   24.595 -24.97554 34.58479 
1 1 1  -44    8   12 o   55.572   16.840  -3.3135   9.3114   19.205   15.948 -14.9595   11.469   73.826   28.392   37.319   18.118 36.50716 33.68016 
1 1 1  -44    8   13 o   78.600   14.522   19.640   6.4407   28.303   9.7157   12.849   8.6026   93.945   19.765   63.255   21.281 30.69008 29.04359 
1 1 1  -44    8   14 o  121.267   11.191   45.768   6.7089   31.160   9.8047   58.630   9.1999   99.291   18.966  143.242   11.886 -43.95152 22.38236 
1 1 1  -44    8   15 f   63.404   13.729   9.5307   6.2744   24.658   9.5485  -1.9647   8.3237   86.764   20.662   40.044   18.083 46.71961 27.45747 
1 1 1  -44    8   16 o   85.431   14.117   23.122   6.4746   32.121   9.9096   16.419   8.5524  100.538   18.935   70.324   20.943 30.21362 28.23401 
1 1 1  -44    8   17 o  107.480   11.796   35.860   6.5674   30.341   9.5287   40.855   9.0643   97.358   18.793  117.601   14.264 -20.24281 23.59291 
1 1 1  -44    8   18 o   46.597   13.843   3.3216   6.1020  -1.0111   8.8687   7.2164   8.4087   41.544   18.721   51.649   20.396 -10.10536 27.68546 
1 1 1  -44    8   19 o   93.460   13.432   30.228   6.6084   20.372   9.7868   38.487   8.9593   74.582   22.447  112.337   14.759 -37.75451 26.86486 
1 1 1  -44    8   20 f   44.718   13.705   2.7585   6.2928  -1.7574   9.6501   6.0994   8.3003   41.145   18.919   48.290   19.835 -7.144653 27.41040 
1 1 1  -44    8   21 o   37.932   12.544  -5.8386   6.3767   1.8459   9.8168 -11.4478   8.3871   44.757   19.968   31.108   15.189 13.64868 25.08879 
1 1 1  -44    8   22 o   41.608   12.954  -3.5009   6.5608 -17.6608   9.7954   8.0198   8.8355   31.205   15.462   52.011   20.789 -20.80560 25.90830 
1 1 1  -44    8   23 o   47.708   14.397   3.5687   6.6441   7.9474   9.7786  -0.1863   9.0554   53.205   21.653   42.212   18.980 10.99301 28.79400 
1 1 1  -44    8   24 o   42.607   13.466  -0.9836   6.5690   4.7276   9.2960  -6.6802   9.2840   48.341   20.502   36.872   17.466 11.46962 26.93289 
1 1 1  -44    8   25 o   45.433   13.992   2.8789   6.4774   0.9814   9.2768   4.6841   9.0484   43.418   19.388   47.447   20.179 -4.028793 27.98364 
1 1 1  -44    8   26 o   37.593   12.425  -6.6201   6.5891 -15.7721   9.3611   2.3666   9.2763   30.865   15.261   44.322   19.612 -13.45710 24.85026 
1 1 1  -44    8   27 f   47.779   14.224   5.0574   6.5133  -0.2103   9.2419   10.256   9.1808   41.247   18.794   54.311   21.355 -13.06472 28.44736 
1 1 1  -44    9    1 o   89.847   12.765   26.423   5.8904   19.265   9.2999   31.219   7.6119   76.034   21.614  103.659   13.589 -27.62541 25.53068 
1 1 1  -44    9    2 f   88.222   13.364   24.825   6.0802   24.035   9.6052   25.352   7.8540   85.540   20.947   90.905   16.601 -5.364563 26.72775 
1 1 1  -44    9    3 o  126.584   9.4330   46.486   6.3317   46.037   9.8965   46.798   8.2385  125.201   14.628  127.967   11.914 -2.766289 18.86596 
1 1 1  -44    9    4 o   82.904   21.265   22.726   9.5726   22.726   9.5726   0.0000   0.0000   82.904   21.265  ?   ?       ?      ? 
1 1 1  -44    9    5 o   81.114   12.962   18.205   5.9892   35.689   9.8940   8.0924   7.5245  108.838   16.823   53.390   19.723 55.44800 25.92316 
1 1 1  -44    9    6 o  132.695   9.4481   52.245   6.5227   45.128   10.232   57.117   8.4657  123.469   15.337  141.922   11.039 -18.45319 18.89616 
1 1 1  -44    9    7 o  105.863   11.479   31.900   6.2071   46.239   10.123   23.260   7.8577  125.247   14.957   86.480   17.417 38.76738 22.95802 
1 1 1  -44    9    8 o  118.233   10.411   40.727   6.5634   43.418   10.256   38.859   8.5415  120.852   15.705  115.614   13.672 5.237839 20.82224 
1 1 1  -44    9    9 o   51.420   14.632   5.9635   6.3283   2.5255   9.9629   8.2887   8.1934   48.459   20.901   54.381   20.483 -5.922134 29.26450 
1 1 1  -44    9   10 o   55.737   16.540   6.7337   7.5007   3.2905   16.454   7.6370   8.4273   58.009   25.869   53.465   20.618 4.543842 33.07966 
1 1 1  -44    9   11 o   68.177   18.836   15.098   10.306   8.6036   16.908   18.937   13.000   62.899   27.178   73.456   26.088 -10.55714 37.67284 
1 1 1  -44    9   12 o   59.754   17.433   8.8351   9.3996   0.0891   16.207   13.268   11.538   55.014   24.998   64.494   24.304 -9.479603 34.86570 
1 1 1  -44    9   13 o   35.929   11.897 -10.3212   5.9402   1.4369   9.1003 -19.0504   7.8410   45.366   19.769   26.493   13.240 18.87267 23.79313 
1 1 1  -44    9   14 o   33.819   11.370 -10.8643   6.0792 -22.8968   9.2919  -1.8594   8.0383   28.415   14.232   39.222   17.736 -10.80769 22.73955 
1 1 1  -44    9   15 o   50.854   14.464   5.7369   6.2123   10.145   9.1584   1.9800   8.4548   57.349   21.643   44.358   19.193 12.99038 28.92760 
1 1 1  -44    9   16 o   65.262   14.245   12.352   6.4536   25.874   9.7568   1.8341   8.6049   86.562   21.060   43.963   19.189 42.59914 28.49086 
1 1 1  -44    9   17 o   49.175   13.965   3.6802   6.1934   13.657   9.3647  -4.0762   8.2570   61.779   22.120   36.572   17.051 25.20749 27.92957 
1 1 1  -44    9   18 o   42.251   13.269  -2.7133   6.4911   8.3335   9.7005 -11.6699   8.7348   52.662   21.515   31.840   15.537 20.82210 26.53821 
1 1 1  -44    9   19 o   39.236   12.808  -2.6762   6.4331  -6.5570   9.6540   0.4233   8.6277   37.126   17.651   41.346   18.563 -4.219772 25.61571 
1 1 1  -44    9   20 o   62.187   15.031   13.941   6.3944   8.7491   9.5998   18.082   8.5731   53.524   21.572   70.850   20.938 -17.32597 30.06195 
1 1 1  -44    9   21 o   36.285   12.161  -7.8307   6.3519  -1.7743   9.5672 -12.6048   8.4941   41.539   19.002   31.031   15.180 10.50796 24.32136 
1 1 1  -44    9   22 o   51.341   14.594   6.5053   6.2693   11.234   9.4829   2.8335   8.3559   58.136   22.003   44.546   19.177 13.59024 29.18774 
1 1 1  -44    9   23 o   46.538   14.220   3.4548   6.4687   4.4356   9.9892   2.7465   8.4891   48.637   20.953   44.440   19.230 4.197536 28.43989 
1 1 1  -44    9   24 o   45.921   13.862   2.1601   6.7195  -7.5598   10.120   9.8238   8.9862   37.381   17.856   54.461   21.209 -17.07978 27.72495 
1 1 1  -44    9   25 o   49.333   14.755   6.3738   6.8350   4.1574   10.245   8.1517   9.1755   47.306   20.785   51.360   20.947 -4.053852 29.50923 
1 1 1  -44    9   26 o   46.006   14.293   3.7027   6.8897   1.6825   10.208   5.3930   9.3373   44.482   20.062   47.530   20.363 -3.048397 28.58505 
1 1 1  -44   10    1 f   70.555   14.698   16.722   5.9076   16.622   9.5069   16.784   7.5401   69.538   22.321   71.571   19.129 -2.032852 29.39645 
1 1 1  -44   10    2 o   32.989   11.268 -10.4092   5.8843  -8.5733   9.2476 -11.6583   7.6277   36.113   17.200   29.865   14.561 6.247299 22.53554 
1 1 1  -44   10    3 o   53.662   14.764   7.0218   6.1168   11.859   9.7277   3.8584   7.8667   61.087   22.449   46.237   19.181 14.84988 29.52741 
1 1 1  -44   10    4 o   57.954   14.258   10.243   6.1035   1.7460   9.7817   15.660   7.8106   46.862   20.456   69.046   19.866 -22.18447 28.51533 
1 1 1  -44   10    5 o   30.944   10.732 -13.3806   5.8382 -12.9476   9.4423 -13.6485   7.4283   33.751   16.398   28.137   13.851 5.614014 21.46492 
1 1 1  -44   10    6 o   39.532   12.790  -2.8402   5.9434  -2.4672   9.6865  -3.0654   7.5267   42.297   19.260   36.767   16.832 5.529224 25.57924 
1 1 1  -44   10    7 o   40.148   12.948  -2.6008   6.1552  -2.7834   9.4605  -2.4668   8.1053   41.499   18.950   38.797   17.648 2.701687 25.89541 
1 1 1  -44   10    8 f   86.597   13.101   22.366   6.1408   36.440   9.8020   13.273   7.8785  109.555   16.558   63.639   20.308 45.91622 26.20264 
1 1 1  -44   10    9 o   50.456   14.594   5.2458   6.1916   8.4168   9.9574   3.2470   7.9057   55.606   22.120   45.307   19.043 10.29879 29.18788 
1 1 1  -44   10   10 o   46.063   14.592   0.0351   7.4644 -24.9550   17.931   5.2734   8.2096   43.448   21.414   48.677   19.829 -5.228584 29.18443 
1 1 1  -44   10   11 o   36.345   12.704 -22.5709   9.2652 -43.6261   16.430 -12.7522   11.219   35.245   17.814   37.445   18.117 -2.200005 25.40781 
1 1 1  -44   10   12 o   51.416   15.602   5.1176   7.7404   6.3209   10.016   3.3333   12.196   51.803   21.579   51.030   22.539 0.7731476 31.20380 
1 1 1  -44   10   13 o   35.856   11.996  -6.4899   6.1873 -10.3190   9.5926  -3.7619   8.0967   35.017   16.896   36.695   17.034 -1.678654 23.99200 
1 1 1  -44   10   14 f   79.050   12.981   22.778   6.6117   5.4735   9.9843   36.294   8.8236   49.626   21.153  108.474   15.053 -58.84811 25.96245 
1 1 1  -44   10   15 o   47.109   14.278   3.4561   6.6287   9.0437   9.8549  -1.1609   8.9581   53.786   21.793   40.431   18.454 13.35534 28.55697 
1 1 1  -44   10   16 o   46.514   13.876   1.1788   6.3923   12.568   9.9453  -6.8383   8.3442   58.891   22.475   34.137   16.280 24.75422 27.75176 
1 1 1  -44   10   17 o   43.274   13.561   0.2809   6.4197   6.4107   9.5888  -4.6988   8.6425   49.965   20.985   36.582   17.181 13.38309 27.12169 
1 1 1  -44   10   18 o   52.885   13.470   3.5137   6.7082 -15.0918   9.8943   19.342   9.1259   32.738   16.090   73.033   21.608 -40.29544 26.94037 
1 1 1  -44   10   19 o   86.596   14.544   25.387   6.7160   32.265   10.252   20.217   8.8891   97.438   20.136   75.755   20.991 21.68288 29.08735 
1 1 1  -44   10   20 o   53.665   14.535   4.9934   6.6973   18.017   10.211  -4.8374   8.8719   69.849   23.181   37.481   17.541 32.36813 29.06941 
1 1 1  -44   10   21 o   52.671   14.955   7.7371   6.7256   3.2179   10.060   11.389   9.0438   47.353   20.706   57.989   21.583 -10.63595 29.90911 
1 1 1  -44   10   22 o   44.785   13.956   2.1926   6.6080   4.6013   9.5049  -0.0607   9.1932   47.614   20.475   41.955   18.969 5.658501 27.91213 
1 1 1  -44   10   23 o   44.682   13.789   1.7669   6.6940  -5.7301   9.8618   8.1723   9.1157   37.898   17.966   51.466   20.922 -13.56782 27.57728 
1 1 1  -44   10   24 o   54.243   15.116   8.5150   6.8431   17.244   10.410   1.8725   9.0809   65.360   23.331   43.126   19.226 22.23453 30.23143 
1 1 1  -44   11    1 o   92.554   13.475   28.553   6.4317   33.260   10.136   25.380   8.3217   98.229   19.780   86.880   18.303 11.34931 26.94925 
1 1 1  -44   11    2 o   26.444   9.4163 -21.7124   5.9528 -21.4067   9.1767 -21.9344   7.8217   28.151   14.106   24.738   12.478 3.412714 18.83261 
1 1 1  -44   11    3 o   90.730   13.227   29.896   6.3340   17.292   9.8316   38.839   8.2817   67.907   22.751  113.554   13.497 -45.64703 26.45314 
1 1 1  -44   11    4 o   50.390   14.392   6.9779   6.1573   4.0549   9.4556   9.1299   8.1132   47.294   20.380   53.485   20.326 -6.191109 28.78376 
1 1 1  -44   11    5 o   46.078   12.834   1.3492   6.1098 -16.3961   9.8026   12.623   7.8132   31.875   15.733   60.280   20.281 -28.40571 25.66813 
1 1 1  -44   11    6 o   82.583   14.655   23.631   6.3921   25.974   10.373   22.197   8.1161   84.193   22.406   80.974   18.894 3.219261 29.30931 
1 1 1  -44   11    7 o   41.042   13.143  -1.2483   6.1554   2.7949   9.7117  -3.9630   7.9579   46.145   20.257   35.940   16.751 10.20484 26.28546 
1 1 1  -44   11    8 o   39.860   12.983  -2.1552   6.3150  -2.0618   10.140  -2.2144   8.0714   41.916   19.317   37.804   17.353 4.111603 25.96652 
1 1 1  -44   11    9 o   49.964   13.254   4.3397   6.3084 -12.3844   9.9701   15.505   8.1465   34.201   16.669   65.727   20.612 -31.52658 26.50858 
1 1 1  -44   11   10 o   61.782   18.448   13.415   9.9575   19.065   17.798   10.840   12.014   66.401   28.271   57.163   23.708 9.238659 36.89601 
1 1 1  -44   11   11 o   66.315   17.912   18.439   10.360   0.7025   18.919   26.036   12.382   53.399   25.185   79.232   25.478 -25.83245 35.82442 
1 1 1  -44   11   12 o   53.709   15.075   9.3469   6.5643   7.7565   9.8382   10.623   8.8130   51.789   21.464   55.629   21.174 -3.840538 30.15069 
1 1 1  -44   11   13 o   52.716   14.911   8.6950   6.4406   7.2984   10.013   9.6805   8.4116   51.418   21.511   54.015   20.656 -2.596531 29.82257 
1 1 1  -44   11   14 o   67.059   15.092   15.163   6.7208   25.889   10.142   6.7639   8.9743   84.024   22.057   50.093   20.606 33.93102 30.18434 
1 1 1  -44   11   15 o   65.551   15.392   15.663   6.6978   10.233   10.073   19.965   8.9672   56.377   22.304   74.726   21.217 -18.34855 30.78396 
1 1 1  -44   11   16 o   55.982   15.257   9.5437   6.5306   13.488   9.9540   6.5631   8.6533   61.849   22.712   50.115   20.380 11.73383 30.51460 
1 1 1  -44   11   17 o  130.846   10.232   51.501   7.2030   58.509   10.616   45.523   9.8051  139.405   14.093  122.286   14.838 17.11916 20.46448 
1 1 1  -44   11   18 o   78.586   15.754   22.560   7.0205   20.856   10.546   23.916   9.4084   74.623   23.460   82.550   21.032 -7.926773 31.50731 
1 1 1  -44   11   19 o   71.873   15.882   19.410   6.9180   17.084   10.486   21.202   9.2054   67.119   23.466   76.628   21.406 -9.508591 31.76301 
1 1 1  -44   11   20 o   47.739   14.525   4.7422   6.7539   5.4239   9.9532   4.1605   9.1948   48.946   20.998   46.532   20.074 2.413799 29.04973 
1 1 1  -44   11   21 o   57.540   14.817   11.490   6.7552   2.2222   10.385   18.288   8.8940   45.506   20.403   69.574   21.491 -24.06799 29.63368 
1 1 1  -44   11   22 o   45.053   14.013   3.0862   6.5759   5.3765   9.8366   1.2355   8.8422   48.037   20.743   42.069   18.847 5.968140 28.02671 
1 1 1  -44   12    1 o   42.581   13.505   0.1759   6.3853   1.2796   9.6807  -0.6741   8.4953   44.670   19.887   40.493   18.278 4.177853 27.01089 
1 1 1  -44   12    2 o   51.579   14.534   7.6279   6.1919   4.8776   9.1644   9.9380   8.3990   48.037   20.363   55.121   20.743 -7.083672 29.06799 
1 1 1  -44   12    3 o   78.768   14.865   22.063   6.4228   22.968   9.5776   21.323   8.6582   79.627   21.677   77.909   20.345 1.717171 29.72912 
1 1 1  -44   12    4 o   85.110   14.229   25.683   6.4418   22.290   9.8878   28.184   8.4911   77.550   22.364   92.671   17.600 -15.12042 28.45852 
1 1 1  -44   12    5 o   54.109   15.067   8.5468   6.5631   13.657   9.9018   4.5422   8.7652   61.343   22.632   46.875   19.895 14.46838 30.13378 
1 1 1  -44   12    6 o   42.923   13.446   0.8714   6.3695  -4.6468   10.081   4.5382   8.2177   39.691   18.614   46.156   19.409 -6.464249 26.89199 
1 1 1  -44   12    7 o   45.258   13.974   2.8235   6.4293   1.3448   10.059   3.8450   8.3599   45.068   20.152   45.448   19.364 -0.3797951 27.94757 
1 1 1  -44   12    8 f   49.508   14.184   6.2520   6.1658   1.2403   9.5458   9.8398   8.0767   44.243   19.718   54.774   20.394 -10.53095 28.36795 
1 1 1  -44   12    9 o   66.031   18.419   11.265   7.8626   32.568   18.319   6.4546   8.7052   82.312   30.701   49.750   20.360 32.56230 36.83853 
1 1 1  -44   12   10 o   58.138   18.124   8.5384   10.652   10.480   18.364   7.5541   13.077   61.034   27.265   55.243   23.886 5.790371 36.24819 
1 1 1  -44   12   11 o   54.598   17.297   4.7875   10.676  -3.5248   18.194   9.1532   13.185   52.022   24.585   57.175   24.338 -5.152969 34.59405 
1 1 1  -44   12   12 o   74.485   15.469   19.561   6.6057   23.348   10.113   16.743   8.7241   80.252   22.443   68.718   21.295 11.53374 30.93775 
1 1 1  -44   12   13 o   70.443   15.185   18.024   6.6194   12.307   9.9523   22.558   8.8643   59.994   22.579   80.892   20.309 -20.89785 30.36910 
1 1 1  -44   12   14 o   52.103   14.853   6.1356   6.6277   13.228   10.126   0.8201   8.7663   61.427   22.843   42.778   18.991 18.64914 29.70572 
1 1 1  -44   12   15 f   51.307   14.661   4.3516   6.7728   14.984   10.354  -3.5994   8.9539   64.029   23.216   38.585   17.912 25.44416 29.32286 
1 1 1  -44   12   16 o   46.655   14.342   2.6012   6.7836   7.9468   10.298  -1.4971   9.0165   52.915   21.948   40.395   18.467 12.51994 28.68355 
1 1 1  -44   12   17 o   50.296   14.937   6.4909   6.8500   8.7914   10.227   4.6192   9.2250   53.457   21.994   47.135   20.218 6.321987 29.87480 
1 1 1  -44   12   18 o   80.309   15.534   24.158   6.9345   27.269   10.260   21.542   9.4089   85.146   22.105   75.472   21.830 9.674011 31.06766 
1 1 1  -44   12   19 o   47.422   14.082   4.3968   6.6589  -3.9800   10.047   10.959   8.8924   39.375   18.503   55.468   21.232 -16.09232 28.16309 
1 1 1  -44   13    1 o  107.893   12.368   35.540   6.7254   55.679   10.776   22.690   8.6076  134.738   14.800   81.049   19.819 53.68839 24.73531 
1 1 1  -44   13    2 o   38.154   12.557  -3.8729   6.2188  -3.0334   9.4751  -4.5082   8.2426   40.100   18.548   36.208   16.933 3.891907 25.11449 
1 1 1  -44   13    3 f   44.303   13.535   0.9460   6.4296  -7.4682   9.6532   7.6553   8.6199   36.978   17.601   51.628   20.567 -14.64978 27.07025 
1 1 1  -44   13    4 o   66.403   15.779   15.912   6.6499   16.851   10.064   15.183   8.8590   67.574   23.017   65.233   21.589 2.340950 31.55707 
1 1 1  -44   13    5 o   49.746   14.565   6.0586   6.4101   4.4262   9.8112   7.2744   8.4670   48.537   20.836   50.956   20.357 -2.419250 29.12924 
1 1 1  -44   13    6 o   47.192   14.089   2.8081   6.2892   9.9466   9.7666  -2.2492   8.2205   56.017   22.025   38.368   17.575 17.64922 28.17782 
1 1 1  -44   13    7 o   50.034   14.645   6.1553   6.5173   4.0328   9.7503   7.8695   8.7624   47.951   20.679   52.117   20.744 -4.166321 29.29091 
1 1 1  -44   13    8 o   36.637   12.260  -6.8601   6.4101  -2.9696   9.5335 -10.0704   8.6599   40.309   18.631   32.964   15.941 7.345016 24.51995 
1 1 1  -44   13    9 o   44.110   15.080 -11.3996   10.808 -16.9369   17.582  -8.0360   13.703   44.589   21.818   43.632   20.824 0.9571266 30.16058 
1 1 1  -44   13   10 o   46.215   15.724  -8.7419   10.726  -3.1982   18.388 -11.6013   13.206   51.716   24.522   40.714   19.688 11.00259 31.44751 
1 1 1  -44   13   11 o   48.806   15.634   0.1777   8.2872  -4.6657   10.076   10.306   14.570   39.579   18.577   58.032   25.152 -18.45265 31.26884 
1 1 1  -44   13   12 o   52.951   15.035   8.6731   6.5104   9.5535   9.9880   8.0228   8.5847   54.508   21.991   51.394   20.509 3.113686 30.07033 
1 1 1  -44   13   13 o   31.348   10.893 -13.5206   6.3744 -13.3381   9.3980 -13.6760   8.6749   32.247   15.815   30.448   14.985 1.799032 21.78683 
1 1 1  -44   13   14 o   47.822   14.545   4.9235   6.6967   7.2281   10.390   3.2857   8.7587   51.100   21.673   44.544   19.403 6.555904 29.08971 
1 1 1  -44   13   15 o   74.643   15.922   21.817   6.9628   20.931   10.638   22.481   9.2098   71.790   23.652   77.496   21.323 -5.705246 31.84466 
1 1 1  -44   13   16 o   48.124   14.328   5.1108   6.8021  -2.2950   10.325   10.789   9.0413   41.129   19.140   55.119   21.327 -13.98991 28.65622 
1 1 1  -44   14    1 o  100.004   13.190   34.462   6.7961   32.603   10.620   35.752   8.8443   94.000   21.389  106.009   15.439 -12.00859 26.37915 
1 1 1  -44   14    2 o   55.108   14.462   10.098   6.5255   0.6978   10.102   16.828   8.5483   43.454   19.742   66.763   21.138 -23.30963 28.92300 
1 1 1  -44   14    3 o  105.299   12.676   36.568   7.0040   43.510   10.744   31.438   9.2366  114.849   17.312   95.749   18.522 19.10020 25.35274 
1 1 1  -44   14    4 o   67.136   14.764   15.074   6.6595   28.636   10.282   5.2733   8.7405   87.398   21.835   46.874   19.880 40.52353 29.52899 
1 1 1  -44   14    5 o   70.688   14.922   19.576   6.6611   11.826   10.258   25.227   8.7593   56.979   22.519   84.397   19.585 -27.41841 29.84381 
1 1 1  -44   14    6 o   45.630   14.144   3.6101   6.6577   2.5835   10.144   4.3870   8.8244   45.433   20.282   45.826   19.718 -0.3939095 28.28722 
1 1 1  -44   14    7 o   67.069   14.592   17.343   6.6674   7.0696   10.244   24.893   8.7820   50.542   21.482   83.595   19.754 -33.05358 29.18418 
1 1 1  -44   14    8 o   47.300   15.936  -2.8743   8.0319   11.856   19.391  -5.9248   8.8245   59.034   27.023   35.565   16.899 23.46913 31.87231 
1 1 1  -44   14    9 o   46.575   15.831  -5.8706   11.396  -4.3063   17.968  -6.9234   14.740   48.914   23.478   44.236   21.242 4.677498 31.66129 
1 1 1  -44   14   10 f   57.284   18.165   9.6702   11.132   18.236   18.697   4.9662   13.855   63.396   27.958   51.173   23.199 12.22261 36.32975 
1 1 1  -44   14   11 o   51.548   14.934   7.8364   6.6180   12.026   10.144   4.7318   8.7321   57.062   22.444   46.034   19.706 11.02789 29.86717 
1 1 1  -43    0    1 o  159.339   6.8052   70.294   8.2172   70.294   8.2172   70.294   8.2172  159.339   9.6240  159.339   9.6240 0.000000 0.000000 
1 1 1  -43    0    2 o   94.992   10.732   26.897   7.1947   26.897   7.1947   26.897   7.1947   94.992   15.178   94.992   15.178 0.000000 0.000000 
1 1 1  -43    0    3 o   40.314   15.986   6.6292   7.4219   6.6292   7.4219   6.6292   7.4219   40.314   22.608   40.314   22.608 0.000000 0.000000 
1 1 1  -43    0    4 o   79.909   13.354   20.577   7.0813   20.577   7.0813   20.577   7.0813   79.909   18.885   79.909   18.885 0.000000 0.000000 
1 1 1  -43    0    5 o   18.005   9.2182 -12.8679   6.7575 -12.8679   6.7575 -12.8679   6.7575   18.005   13.036   18.005   13.036 0.000000 0.000000 
1 1 1  -43    0    6 o   33.996   14.638   3.4300   7.1420   3.4300   7.1420   3.4300   7.1420   33.996   20.701   33.996   20.701 0.000000 0.000000 
1 1 1  -43    0    7 o   60.972   16.695   14.477   7.3938   14.477   7.3938   14.477   7.3938   60.972   23.610   60.972   23.610 0.000000 0.000000 
1 1 1  -43    0    8 o   25.132   12.137  -3.8441   7.2850  -3.8441   7.2850  -3.8441   7.2850   25.132   17.164   25.132   17.164 0.000000 0.000000 
1 1 1  -43    0    9 o   34.046   16.219  -3.4347   12.147  -3.4347   12.147  -3.4347   12.147   34.046   22.937   34.046   22.937 0.000000 0.000000 
1 1 1  -43    0   12 o   32.136   14.623   1.0035   8.2496   1.0035   8.2496   1.0035   8.2496   32.136   20.680   32.136   20.680 0.000000 0.000000 
1 1 1  -43    0   13 o   79.588   16.336   22.032   8.6233   22.032   8.6233   22.032   8.6233   79.588   23.103   79.588   23.103 0.000000 0.000000 
1 1 1  -43    0   14 o   87.099   14.102   24.477   8.1756   24.477   8.1756   24.477   8.1756   87.099   19.943   87.099   19.943 0.000000 0.000000 
1 1 1  -43    0   15 o   35.273   14.995   4.1526   7.3000   4.1526   7.3000   4.1526   7.3000   35.273   21.206   35.273   21.206 0.000000 0.000000 
1 1 1  -43    0   16 o   31.080   13.930   1.6611   7.1529   1.6611   7.1529   1.6611   7.1529   31.080   19.700   31.080   19.700 0.000000 0.000000 
1 1 1  -43    0   17 o   23.232   11.511  -7.1874   7.6989  -7.1874   7.6989  -7.1874   7.6989   23.232   16.278   23.232   16.278 0.000000 0.000000 
1 1 1  -43    0   18 o   22.610   11.255  -7.8743   7.6251  -7.8743   7.6251  -7.8743   7.6251   22.610   15.916   22.610   15.916 0.000000 0.000000 
1 1 1  -43    0   19 o   37.403   15.544   5.2436   7.5214   5.2436   7.5214   5.2436   7.5214   37.403   21.983   37.403   21.983 0.000000 0.000000 
1 1 1  -43    0   20 o   21.826   10.962  -9.6105   7.7871  -9.6105   7.7871  -9.6105   7.7871   21.826   15.502   21.826   15.502 0.000000 0.000000 
1 1 1  -43    0   21 o   81.071   15.222   22.324   8.1484   22.324   8.1484   22.324   8.1484   81.071   21.528   81.071   21.528 0.000000 0.000000 
1 1 1  -43    0   22 o   32.940   14.735   2.3010   7.9589   2.3010   7.9589   2.3010   7.9589   32.940   20.838   32.940   20.838 0.000000 0.000000 
1 1 1  -43    0   23 o   66.170   17.441   17.298   8.2103   17.298   8.2103   17.298   8.2103   66.170   24.665   66.170   24.665 0.000000 0.000000 
1 1 1  -43    0   24 o   38.203   16.099   5.5610   8.2672   5.5610   8.2672   5.5610   8.2672   38.203   22.767   38.203   22.767 0.000000 0.000000 
1 1 1  -43    0   25 o   34.333   15.269   2.8467   8.4094   2.8467   8.4094   2.8467   8.4094   34.333   21.593   34.333   21.593 0.000000 0.000000 
1 1 1  -43    0   26 o   27.173   13.108  -3.8208   8.4477  -3.8208   8.4477  -3.8208   8.4477   27.173   18.538   27.173   18.538 0.000000 0.000000 
1 1 1  -43    0   28 o   23.232   11.633  -9.6074   8.5477  -9.6074   8.5477  -9.6074   8.5477   23.232   16.452   23.232   16.452 0.000000 0.000000 
1 1 1  -43    0   29 o   20.989   10.697 -13.9660   8.6117 -13.9660   8.6117 -13.9660   8.6117   20.989   15.128   20.989   15.128 0.000000 0.000000 
1 1 1  -43    0   30 o   47.948   17.803   11.178   8.6260   11.178   8.6260   11.178   8.6260   47.948   25.177   47.948   25.177 0.000000 0.000000 
1 1 1  -43    0   31 f   26.346   12.797  -3.7996   8.3680  -3.7996   8.3680  -3.7996   8.3680   26.346   18.098   26.346   18.098 0.000000 0.000000 
1 1 1  -43    0   32 o   27.950   13.525  -3.7642   9.1509  -3.7642   9.1509  -3.7642   9.1509   27.950   19.128   27.950   19.128 0.000000 0.000000 
1 1 1  -43    0   33 o   60.319   18.740   16.346   9.0361   16.346   9.0361   16.346   9.0361   60.319   26.502   60.319   26.502 0.000000 0.000000 
1 1 1  -43    0   34 o   36.678   16.308   4.6043   9.5865   4.6043   9.5865   4.6043   9.5865   36.678   23.063   36.678   23.063 0.000000 0.000000 
1 1 1  -43    0   35 o   26.345   12.900  -4.7614   8.9236  -4.7614   8.9236  -4.7614   8.9236   26.345   18.243   26.345   18.243 0.000000 0.000000 
1 1 1  -43    1    1 o   46.093   12.927   2.6567   5.1663   8.6026   7.4600  -2.8231   7.1617   55.382   19.752   36.803   16.682 18.57853 25.85441 
1 1 1  -43    1    2 o   52.977   12.918   6.9015   5.0102   0.4204   7.1962   12.999   6.9798   40.975   17.718   64.980   18.804 -24.00528 25.83637 
1 1 1  -43    1    3 o   73.217   13.253   16.587   5.2760   17.925   7.4734   15.257   7.4495   76.309   18.349   70.125   19.129 6.183937 26.50694 
1 1 1  -43    1    4 o  100.095   10.484   29.609   5.3637   22.048   7.5908   37.148   7.5802   85.482   17.031  114.707   12.229 -29.22535 20.96712 
1 1 1  -43    1    5 o   79.782   12.122   19.439   5.2223   25.987   7.3456   12.748   7.4258   95.203   14.279   64.360   19.594 30.84203 24.24493 
1 1 1  -43    1    6 o   55.408   12.255   7.1294   5.0232  -2.6015   7.1330   16.703   7.0752   37.005   16.722   73.810   17.919 -36.80540 24.50980 
1 1 1  -43    1    7 o   60.315   13.722   10.886   5.1484   13.256   7.2945   8.5337   7.2674   65.533   19.298   55.097   19.512 10.43627 27.44352 
1 1 1  -43    1    8 o  126.235   8.6659   44.849   5.8189   35.123   7.9577   56.027   8.5306  111.106   13.254  141.364   11.167 -30.25739 17.33182 
1 1 1  -43    1    9 o   31.575   11.078 -20.5965   6.9949 -19.2590   9.0217 -22.6126   11.076   29.874   14.809   33.275   16.479 -3.400965 22.15506 
1 1 1  -43    1   11 o   31.260   15.571 -23.9640   10.467   0.0000   0.0000 -23.9640   10.467  ?   ?    31.260   15.571      ?      ? 
1 1 1  -43    1   12 o   74.434   15.213   9.9231   8.0346   37.883   13.431  -5.6577   10.026  107.702   23.720   41.165   19.054 66.53704 30.42516 
1 1 1  -43    1   13 o   97.023   11.430   27.955   5.8462   29.087   8.1073   26.730   8.4382  100.152   14.981   93.894   17.268 6.257263 22.86011 
1 1 1  -43    1   14 o   60.014   14.062   10.971   5.3339   9.8599   7.7623   11.965   7.3418   57.839   20.191   62.188   19.578 -4.348446 28.12465 
1 1 1  -43    1   15 o  102.435   10.146   30.382   5.5558   25.148   7.7300   35.976   7.9907   92.771   15.420  112.099   13.192 -19.32795 20.29265 
1 1 1  -43    1   16 o   58.433   14.059   10.288   5.3106   10.408   7.5124   10.168   7.5082   58.689   19.886   58.176   19.880 0.5126953 28.11893 
1 1 1  -43    1   17 o   97.929   10.412   27.887   5.5094   27.513   7.7984   28.259   7.7844   97.218   14.845   98.640   14.604 -1.422478 20.82444 
1 1 1  -43    1   18 f   68.131   13.375   14.220   5.5124   7.0891   7.6609   21.875   7.9379   52.208   19.773   84.054   18.018 -31.84599 26.75090 
1 1 1  -43    1   19 o   51.632   11.732   0.8776   5.4858   17.946   7.7314 -16.4284   7.7851   75.426   18.984   27.839   13.792 47.58665 23.46462 
1 1 1  -43    1   20 o   52.663   14.294   7.1637   5.7143   7.6753   7.9537   6.6179   8.2149   53.425   20.168   51.901   20.260 1.524376 28.58733 
1 1 1  -43    1   21 o   53.465   13.292   6.1423   5.6449   15.375   7.9430  -3.2793   8.0237   68.886   20.096   38.043   17.403 30.84289 26.58387 
1 1 1  -43    1   22 o   38.401   12.376  -3.3883   5.7266  -6.6213   7.8872   0.2164   8.3282   34.407   16.238   42.394   18.680 -7.987373 24.75101 
1 1 1  -43    1   23 o   73.619   14.492   17.988   6.1011   22.389   8.7204   13.768   8.5390   82.707   19.779   64.530   21.187 18.17671 28.98468 
1 1 1  -43    1   24 o   51.008   14.277   6.4595   5.8542   5.4184   8.3066   7.4870   8.2519   49.360   20.005   52.656   20.375 -3.296906 28.55430 
1 1 1  -43    1   25 o   41.002   12.720  -1.8135   5.8067  -9.0320   8.4044   4.7795   8.0320   33.875   16.206   48.130   19.610 -14.25457 25.44020 
1 1 1  -43    1   26 o   51.888   13.976   4.7285   6.1082   13.784   8.8461  -3.5236   8.4445   65.031   21.575   38.744   17.771 26.28673 27.95183 
1 1 1  -43    1   27 o   90.847   13.355   26.168   6.3423   25.386   8.9798   26.948   8.9589   89.242   19.191   92.453   18.577 -3.211708 26.71016 
1 1 1  -43    1   28 o   49.358   14.357   4.7569   6.2042   6.7988   8.8284   2.7645   8.7207   52.338   20.825   46.379   19.769 5.959473 28.71431 
1 1 1  -43    1   29 o   48.345   13.358   1.3410   6.1627   13.848   8.7531 -10.9529   8.6781   63.843   21.467   32.847   15.902 30.99616 26.71512 
1 1 1  -43    1   30 o   70.831   15.224   18.391   6.3413   18.712   9.1022   18.087   8.8393   71.292   21.691   70.369   21.368 0.9226227 30.44806 
1 1 1  -43    1   31 f   38.929   12.676  -2.6797   6.2299  -6.0424   8.8226   0.6643   8.7981   35.868   17.001   41.990   18.806 -6.121494 25.35187 
1 1 1  -43    1   32 o   61.678   14.837   12.422   6.5068   20.210   9.2134   4.6716   9.1908   75.240   21.556   48.115   20.394 27.12486 29.67444 
1 1 1  -43    1   33 o   81.613   14.082   23.370   6.4135   15.349   9.1395   31.152   9.0021   65.325   21.935   97.901   17.666 -32.57630 28.16491 
1 1 1  -43    1   34 o  135.534   9.6348   56.331   6.9537   66.124   9.8331   46.534   9.8349  148.910   12.220  122.158   14.899 26.75179 19.26953 
1 1 1  -43    1   35 o   48.323   14.297   5.6846   6.5307   10.313   8.9738   0.4733   9.5224   54.320   21.184   42.325   19.205 11.99546 28.59329 
1 1 1  -43    2    1 o   37.667   11.954  -2.5506   5.1288   0.3423   7.3014  -5.3684   7.2060   41.088   17.807   34.246   15.954 6.841713 23.90862 
1 1 1  -43    2    2 o   66.414   12.868   13.037   5.0654   20.223   7.4668   6.9110   6.8944   81.514   17.477   51.314   18.893 30.19986 25.73642 
1 1 1  -43    2    3 o   78.261   12.524   18.651   5.1787   21.118   7.5174   16.422   7.1445   83.479   17.236   73.043   18.175 10.43626 25.04775 
1 1 1  -43    2    4 o   70.176   18.880   15.256   7.3162   15.256   7.3162   0.0000   0.0000   70.176   18.880  ?   ?       ?      ? 
1 1 1  -43    2    5 o   55.277   12.329   6.6290   5.1420  -3.6263   7.2439   17.044   7.3000   36.159   16.539   74.394   18.288 -38.23516 24.65755 
1 1 1  -43    2    6 o   96.483   10.963   27.931   5.3543   18.927   7.5571   37.007   7.5872   78.512   18.172  114.455   12.268 -35.94308 21.92542 
1 1 1  -43    2    7 o  106.800   9.8384   32.601   5.6537   36.631   8.1374   28.839   7.8609  113.443   13.275  100.156   14.525 13.28699 19.67680 
1 1 1  -43    2    8 o   55.362   15.642   6.7943   7.0277   6.9730   9.2984   6.5563   10.733   54.683   21.494   56.040   22.731 -1.357452 31.28381 
1 1 1  -43    2    9 o   53.695   14.878   4.7585   7.0427   12.658   9.4066  -5.3176   10.624   64.518   22.244   42.873   19.763 21.64439 29.75531 
1 1 1  -43    2   10 o   32.782   15.586  -8.0436   7.5283   0.0000   0.0000  -8.0436   7.5283  ?   ?    32.782   15.586      ?      ? 
1 1 1  -43    2   11 o   72.170   16.493   15.818   8.5503   1.7872   12.845   26.982   11.458   53.523   23.401   90.818   23.249 -37.29528 32.98617 
1 1 1  -43    2   12 f   79.997   15.803   22.261   8.3733   4.5000   13.752   32.725   10.556   57.442   24.663  102.552   19.765 -45.10966 31.60570 
1 1 1  -43    2   13 o   67.521   14.288   14.381   5.6220   13.876   8.1121   14.847   7.7985   66.406   20.527   68.636   19.881 -2.229988 28.57597 
1 1 1  -43    2   14 o   76.003   13.328   18.070   5.4475   19.008   7.8373   17.194   7.5773   77.947   18.820   74.058   18.878 3.889160 26.65673 
1 1 1  -43    2   15 o   54.657   13.469   7.5745   5.3107   13.909   7.6636   1.7221   7.3662   66.404   19.836   42.910   18.227 23.49468 26.93860 
1 1 1  -43    2   16 o   91.688   11.866   25.716   5.6222   34.810   8.0478   17.047   7.8576  110.031   13.536   73.344   19.493 36.68749 23.73130 
1 1 1  -43    2   17 o   43.702   11.895  -3.5646   5.2393   11.768   7.6247 -17.2805   7.2115   61.599   20.011   25.805   12.865 35.79353 23.78958 
1 1 1  -43    2   18 o   42.246   13.044   0.2699   5.6292  -0.0441   8.0242   0.5741   7.8990   41.999   18.425   42.492   18.468 -0.4932938 26.08789 
1 1 1  -43    2   19 o   94.693   11.766   27.105   5.8365   23.294   8.2953   30.841   8.2133   86.519   18.314  102.867   14.776 -16.34762 23.53142 
1 1 1  -43    2   20 o   43.563   12.764   0.1289   5.5653   7.9398   7.6501  -8.6521   8.1112   53.511   19.863   33.614   16.037 19.89776 25.52885 
1 1 1  -43    2   21 o   55.995   14.064   8.8038   5.5954   4.2619   7.7829   13.663   8.0500   47.045   19.251   64.945   20.507 -17.90056 28.12758 
1 1 1  -43    2   22 f   36.252   11.996  -5.5702   5.8342  -5.3263   7.8377  -5.8734   8.7369   35.373   16.533   37.131   17.386 -1.758518 23.99196 
1 1 1  -43    2   23 o  110.388   10.323   36.086   6.1431   39.074   8.7545   33.187   8.6222  115.242   14.058  105.534   15.120 9.708832 20.64547 
1 1 1  -43    2   24 o   33.059   11.212  -9.4112   5.7708  -7.1212   8.3057 -11.5484   8.0238   35.040   16.575   31.077   15.103 3.963041 22.42407 
1 1 1  -43    2   25 o   45.001   13.311  -0.0504   6.0384   8.9199   8.6114  -8.7278   8.4695   55.714   20.996   34.288   16.366 21.42643 26.62152 
1 1 1  -43    2   26 o   76.596   14.434   19.380   6.2907   13.580   8.9939   24.935   8.8021   64.657   21.760   88.535   18.970 -23.87776 28.86740 
1 1 1  -43    2   27 o   67.525   15.217   14.996   6.2757   16.262   8.8140   13.694   8.9377   70.148   21.345   64.901   21.692 5.246933 30.43314 
1 1 1  -43    2   28 o   59.094   15.097   10.704   6.3204   13.884   8.8494   7.3916   9.0301   64.822   21.583   53.367   21.116 11.45516 30.19471 
1 1 1  -43    2   29 o   46.327   13.991   3.4378   6.1964   3.4026   8.9031   3.4710   8.6294   46.497   19.901   46.157   19.670 0.3400993 27.98113 
1 1 1  -43    2   30 o   50.287   14.597   7.0356   6.3587   6.3795   9.1686   7.6435   8.8263   49.529   20.640   51.044   20.645 -1.514992 29.19318 
1 1 1  -43    2   31 o   43.609   13.562   1.7873   6.1878   4.2693   9.1226  -0.3277   8.4213   46.846   20.100   40.371   18.213 6.474510 27.12442 
1 1 1  -43    2   32 o   61.147   15.560   12.965   6.5743   14.276   9.3956   11.707   9.2025   63.432   22.210   58.863   21.798 4.569733 31.12004 
1 1 1  -43    2   33 o   55.768   15.291   10.093   6.5836   10.103   9.3157   10.084   9.3055   55.785   21.631   55.750   21.619 0.3445053E-01 30.58192 
1 1 1  -43    2   34 o   63.073   15.699   15.172   6.6681   14.042   9.6418   16.207   9.2318   60.964   22.358   65.181   22.045 -4.217815 31.39834 
1 1 1  -43    3    1 o   38.933   12.038  -1.4536   5.0594  -6.5997   7.3996   3.0641   6.9331   33.620   15.824   44.245   18.145 -10.62494 24.07612 
1 1 1  -43    3    2 o   66.996   13.537   13.891   5.1575   15.459   7.4475   12.445   7.1493   70.455   19.088   63.537   19.200 6.917728 27.07370 
1 1 1  -43    3    3 o   77.913   12.393   18.659   5.2842   12.582   7.5788   24.409   7.3714   63.868   19.857   91.957   14.835 -28.08874 24.78629 
1 1 1  -43    3    4 o   55.589   13.166   7.8905   5.1252   14.636   7.4268   1.7575   7.0817   68.599   19.250   42.579   17.967 26.01987 26.33212 
1 1 1  -43    3    5 o   52.244   13.614   7.1974   5.0762   6.4050   7.2146   7.9743   7.1437   50.741   19.195   53.746   19.312 -3.004730 27.22889 
1 1 1  -43    3    6 o   93.554   10.910   25.718   5.3582   29.080   7.6419   22.466   7.5150  100.724   14.040   86.383   16.704 14.34061 21.82088 
1 1 1  -43    3    7 o   80.260   13.488   20.714   6.7105   33.063   9.0835   5.8761   9.9565  106.590   15.771   53.930   21.887 52.65922 26.97680 
1 1 1  -43    3    8 o   50.341   14.525   2.2997   6.6017  -4.1622   8.8329   10.477   9.9367   39.736   18.207   60.947   22.635 -21.21054 29.04916 
1 1 1  -43    3    9 o   70.918   14.170   14.294   5.8783   24.212   9.4398   8.0124   7.5128   87.682   20.321   54.154   19.754 33.52792 28.34010 
1 1 1  -43    3   10 o   50.651   11.651   1.8641   5.2394 -13.6763   7.5496   16.303   7.2771   28.837   14.149   72.465   18.516 -43.62835 23.30299 
1 1 1  -43    3   11 o   57.173   16.612   6.8462   8.0271   5.2838   13.631   7.6757   9.9319   58.050   24.729   56.296   22.187 1.754299 33.22312 
1 1 1  -43    3   12 f   63.705   17.327   11.014   8.2882   14.732   13.059   8.5068   10.725   69.070   25.890   58.340   23.036 10.72955 34.65466 
1 1 1  -43    3   13 o   52.057   14.679   2.8987   6.3355  -2.7591   7.8829   13.221   10.647   38.597   17.498   65.517   23.573 -26.91956 29.35778 
1 1 1  -43    3   14 o   41.290   12.617  -0.2799   5.3083   3.9537   7.6616  -4.1881   7.3614   46.903   19.137   35.677   16.448 11.22626 25.23384 
1 1 1  -43    3   15 o   39.291   12.355  -1.2361   5.2842  -0.0035   7.4908  -2.4571   7.4554   40.817   17.857   37.766   17.078 3.051456 24.70926 
1 1 1  -43    3   16 o   75.016   13.884   17.873   5.6951   18.361   8.0308   17.380   8.0776   76.136   19.450   73.897   19.820 2.238937 27.76894 
1 1 1  -43    3   17 o   57.582   13.365   9.2669   5.4202   1.7081   7.9162   15.938   7.4369   44.050   18.807   71.115   18.994 -27.06513 26.72955 
1 1 1  -43    3   18 o   56.164   14.139   9.0774   5.4455   11.031   7.7854   7.2066   7.6194   60.010   20.245   52.317   19.742 7.693115 28.27725 
1 1 1  -43    3   19 o   44.390   13.200   2.4623   5.3847   3.4284   7.6726   1.5247   7.5588   45.897   18.984   42.884   18.345 3.012947 26.39926 
1 1 1  -43    3   20 o   49.729   13.313   4.3375   5.5157   12.188   7.9253  -3.0365   7.6811   62.004   20.414   37.454   17.092 24.54993 26.62516 
1 1 1  -43    3   21 o   61.395   14.717   11.870   5.8681   14.708   8.5744   9.3692   8.0481   66.756   21.174   56.033   20.445 10.72339 29.43357 
1 1 1  -43    3   22 o   59.275   14.027   9.8130   5.9159   2.0486   8.1628   18.403   8.5859   44.238   18.998   74.311   20.643 -30.07371 28.05463 
1 1 1  -43    3   23 f  120.946   9.6179   42.777   6.2847   43.336   8.9872   42.243   8.7919  121.672   13.669  120.219   13.534 1.453690 19.23578 
1 1 1  -43    3   24 o  126.439   9.4318   46.481   6.4409   46.745   9.2643   46.235   8.9610  126.652   13.537  126.226   13.138 0.4255447 18.86370 
1 1 1  -43    3   25 o   40.614   13.013  -2.2642   6.1537  -1.7744   8.8673  -2.7192   8.5468   41.461   18.699   39.767   18.102 1.694813 26.02545 
1 1 1  -43    3   26 o  124.603   14.393   45.488   9.6908   45.488   9.6908   0.0000   0.0000  124.603   14.393  ?   ?       ?      ? 
1 1 1  -43    3   27 o   58.596   15.331   10.326   6.4344   10.419   9.1510   10.235   9.0491   58.789   21.744   58.403   21.618 0.3852844 30.66189 
1 1 1  -43    3   28 o   41.295   13.219  -1.7803   6.3396  -2.4503   8.9835  -1.1156   8.9476   40.655   18.527   41.936   18.860 -1.280331 26.43737 
1 1 1  -43    3   29 o   68.331   15.391   16.807   6.4102   15.871   9.0573   17.746   9.0736   66.455   21.821   70.207   21.711 -3.751846 30.78148 
1 1 1  -43    3   30 o   43.237   13.352   0.0810   6.3939  -8.3335   9.1551   8.0932   8.9336   34.844   16.734   51.630   20.809 -16.78642 26.70303 
1 1 1  -43    3   31 o  106.988   12.542   37.230   6.8508   49.278   9.9256   26.269   9.4677  127.165   14.444   86.812   20.509 40.35281 25.08492 
1 1 1  -43    3   32 o   73.323   15.282   19.197   6.7224   13.479   9.4768   24.987   9.5373   61.983   22.246   84.662   20.959 -22.67900 30.56417 
1 1 1  -43    3   33 o   54.089   14.889   8.9863   6.5191   13.403   9.0558   4.2356   9.3923   60.980   21.761   47.199   20.326 13.78112 29.77725 
1 1 1  -43    3   34 o   48.585   14.184   4.7118   6.4740  -2.4088   8.9033   12.701   9.4306   38.698   17.927   58.473   21.985 -19.77455 28.36775 
1 1 1  -43    4    1 o   56.044   12.058   7.7149   5.0104  -2.9411   7.2622   17.395   6.9217   36.811   16.729   75.277   17.369 -38.46669 24.11565 
1 1 1  -43    4    2 o  103.781   12.839   30.669   7.1999   0.0000   0.0000   30.669   7.1999  ?   ?   103.781   12.839      ?      ? 
1 1 1  -43    4    3 o   57.552   12.801   7.9375   5.0975   17.738   7.7206   0.3637   6.7871   75.375   18.970   39.728   17.193 35.64735 25.60184 
1 1 1  -43    4    4 o  105.432   9.4734   31.633   5.3714   33.141   8.0649   30.431   7.2009  107.465   13.888  103.397   12.888 4.068054 18.94679 
1 1 1  -43    4    5 o   58.711   14.515   8.6720   5.8164   3.9890   7.4613   15.926   9.2860   46.788   18.961   70.635   21.983 -23.84646 29.03069 
1 1 1  -43    4    6 f   84.915   14.454   23.207   6.6777   28.829   9.2360   17.050   9.6660   97.054   18.282   72.775   22.392 24.27862 28.90709 
1 1 1  -43    4    7 o   44.536   13.711  -2.1892   6.5910  -9.7590   9.1377   6.0203   9.5159   35.741   17.043   53.331   21.483 -17.58990 27.42241 
1 1 1  -43    4    8 o   67.129   11.135   5.4524   5.8730   31.937   9.4268 -11.3483   7.5082  104.063   16.764   30.194   14.659 73.86832 22.26932 
1 1 1  -43    4    9 o  162.640   7.1791   74.309   6.2631   65.078   8.9357   83.224   8.7809  152.268   10.860  173.012   9.3924 -20.74310 14.35818 
1 1 1  -43    4   10 o   44.327   13.122   1.6815   5.4048   5.6390   7.8924  -1.8135   7.4169   50.158   19.775   38.496   17.253 11.66162 26.24314 
1 1 1  -43    4   11 o   46.443   14.688 -13.3093   6.6476   13.473   14.123 -20.9311   7.5343   67.823   26.541   25.064   12.590 42.75901 29.37519 
1 1 1  -43    4   12 o   88.292   16.667   27.349   8.5327   17.036   13.472   34.257   11.026   72.308   26.442  104.276   20.299 -31.96751 33.33455 
1 1 1  -43    4   13 f   49.446   15.274   1.1384   7.8137  -4.8896   12.834   4.6892   9.8497   47.213   21.749   51.678   21.453 -4.465115 30.54862 
1 1 1  -43    4   14 o   53.204   13.733   7.2449   5.3715   11.579   7.6510   3.0324   7.5431   61.209   20.053   45.200   18.769 16.00842 27.46683 
1 1 1  -43    4   15 o   95.396   11.098   26.519   5.6938   28.779   8.5793   24.740   7.6118   98.819   16.067   91.973   15.316 6.845650 22.19697 
1 1 1  -43    4   16 o   80.139   13.123   20.015   5.6391   25.552   8.1854   15.013   7.7798   91.511   17.184   68.768   19.839 22.74316 26.24638 
1 1 1  -43    4   17 o   40.064   12.694  -1.6806   5.6720  -1.0390   8.1619  -2.2799   7.8880   41.096   18.280   39.031   17.616 2.064934 25.38709 
1 1 1  -43    4   18 o   45.666   13.218   2.3929   5.5194   7.6983   7.7622  -3.0328   7.8497   53.282   19.963   38.050   17.331 15.23135 26.43638 
1 1 1  -43    4   19 o   98.309   12.092   30.103   6.0935   21.741   8.7421   38.005   8.4983   82.167   19.900  114.452   13.741 -32.28555 24.18347 
1 1 1  -43    4   20 o   47.955   13.651   4.1045   5.6925  -0.6347   8.0720   8.7932   8.0289   40.905   18.188   55.005   20.363 -14.10033 27.30292 
1 1 1  -43    4   21 o  150.348   8.2163   64.725   6.6547   71.262   9.5237   58.488   9.3026  158.105   11.147  142.591   12.073 15.51364 16.43251 
1 1 1  -43    4   22 o   62.981   14.732   12.586   6.2723   6.1091   9.0188   18.654   8.7291   51.297   20.826   74.665   20.841 -23.36756 29.46302 
1 1 1  -43    4   23 o   47.391   13.941   3.9632   5.9155   2.8446   8.4189   5.0541   8.3138   45.890   19.489   48.893   19.940 -3.002907 27.88209 
1 1 1  -43    4   24 o   99.121   11.997   30.318   6.2015   26.257   8.9741   34.030   8.5797   90.833   18.899  107.408   14.782 -16.57514 23.99339 
1 1 1  -43    4   25 o   68.661   15.467   15.674   6.4798   14.427   9.6974   16.679   8.7097   66.255   22.593   71.066   21.128 -4.811058 30.93303 
1 1 1  -43    4   26 o   95.255   12.985   28.135   6.5413   32.262   9.5062   24.423   9.0149  103.333   17.025   87.177   19.612 16.15611 25.97026 
1 1 1  -43    4   27 o   44.428   13.715   0.8744   6.2151   3.3041   9.2372  -1.1353   8.4011   47.892   20.378   40.963   18.360 6.928955 27.42920 
1 1 1  -43    4   28 o   59.103   13.620   8.9723   6.3977  -4.9756   9.3026   21.490   8.8127   38.656   18.048   79.549   20.403 -40.89269 27.24016 
1 1 1  -43    4   29 o   69.660   15.325   17.782   6.5208   22.264   9.4032   13.629   9.0504   78.022   21.578   61.299   21.768 16.72371 30.65022 
1 1 1  -43    4   30 o   33.537   11.457  -9.4655   6.2688  -9.8998   9.2412  -9.0954   8.5321   34.064   16.472   33.010   15.929 1.054443 22.91436 
1 1 1  -43    4   31 o   47.138   14.321   3.8035   6.5609   4.0581   9.4508   3.5667   9.1152   47.681   20.458   46.594   20.045 1.086349 28.64128 
1 1 1  -43    4   32 o  109.763   11.879   38.088   6.7578   30.336   9.3127   46.710   9.8216   95.684   18.682  123.842   14.677 -28.15815 23.75735 
1 1 1  -43    4   33 o   70.014   15.565   18.391   6.8087   24.158   9.7921   12.993   9.4736   80.486   21.922   59.542   22.104 20.94395 31.13094 
1 1 1  -43    4   34 o   40.255   13.084  -2.5427   6.6861   3.5367   9.5796  -8.3170   9.3361   45.631   20.073   34.879   16.789 10.75134 26.16813 
1 1 1  -43    5    1 o   46.255   13.114   4.1914   4.9752   4.9411   7.3554   3.5591   6.7550   48.003   19.038   44.507   18.040 3.495518 26.22727 
1 1 1  -43    5    2 o   51.534   13.155   6.5581   5.1387   0.5279   7.6374   11.546   6.9462   41.916   18.189   61.152   19.010 -19.23616 26.30970 
1 1 1  -43    5    3 o   38.137   11.606  -4.0194   4.9724   5.6941   7.1268 -13.2334   6.9411   49.008   18.943   27.267   13.416 21.74125 23.21257 
1 1 1  -43    5    4 o   53.342   14.861   5.8889   6.5957   10.878   9.1911   0.5914   9.4705   60.692   21.894   45.992   20.101 14.69959 29.72205 
1 1 1  -43    5    5 o   94.813   14.026   28.327   6.9598   24.640   9.8639   31.982   9.8214   87.659   21.082  101.966   18.507 -14.30711 28.05253 
1 1 1  -43    5    6 o   48.890   14.524   3.3547   6.4969   4.0631   8.8452   2.5248   9.5738   49.263   20.380   48.518   20.698 0.7448120 29.04711 
1 1 1  -43    5    7 o   76.005   13.808   19.033   5.7290   14.216   9.4696   21.814   7.1951   66.984   22.327   85.026   16.253 -18.04243 27.61628 
1 1 1  -43    5    8 o  104.148   13.636   31.162   7.6743   0.0000   0.0000   31.162   7.6743  ?   ?   104.148   13.636      ?      ? 
1 1 1  -43    5    9 o   99.560   11.217   29.024   5.8720   33.833   8.8407   25.227   7.8551  107.723   15.188   91.398   16.512 16.32481 22.43493 
1 1 1  -43    5   10 o   43.988   13.177   1.6794   5.5423  -1.7881   8.3320   4.4312   7.4226   40.734   18.269   47.242   18.994 -6.508701 26.35337 
1 1 1  -43    5   11 o   61.818   15.880   11.763   6.7438   2.9887   14.691   14.105   7.5909   56.794   24.923   66.842   19.687 -10.04752 31.76091 
1 1 1  -43    5   12 o   74.097   18.256   17.654   8.8176   22.748   14.138   14.412   11.280   80.666   27.281   67.527   24.267 13.13901 36.51254 
1 1 1  -43    5   13 o   71.623   17.329   13.715   8.3684   28.288   13.857   5.3491   10.499   89.777   26.641   53.470   22.169 36.30708 34.65812 
1 1 1  -43    5   14 o   32.253   10.955 -10.6408   5.5586  -5.6221   8.1526 -15.0008   7.5988   36.397   16.961   28.110   13.870 8.287563 21.91027 
1 1 1  -43    5   15 o   33.246   11.115  -8.0638   5.4195 -13.6987   8.0481  -3.3888   7.3308   30.108   14.739   36.385   16.641 -6.277115 22.22925 
1 1 1  -43    5   16 o   82.409   13.421   20.834   5.8354   26.362   9.0105   16.840   7.6583   91.900   18.779   72.919   19.179 18.98092 26.84192 
1 1 1  -43    5   17 o   47.548   13.713   3.0815   5.7091   8.4294   8.6437  -1.0569   7.6038   55.471   21.004   39.625   17.634 15.84573 27.42518 
1 1 1  -43    5   18 o   45.839   13.471   3.2421   5.5692   0.8572   8.2245   5.2616   7.5684   43.237   18.818   48.441   19.280 -5.204433 26.94155 
1 1 1  -43    5   19 o   30.876   10.632 -12.0116   5.6529 -10.9564   8.3900 -12.8889   7.6499   32.489   15.707   29.264   14.335 3.225365 21.26457 
1 1 1  -43    5   20 o   53.212   14.352   7.3710   5.9075   11.456   8.4776   3.5153   8.2364   60.012   21.092   46.412   19.469 13.59922 28.70429 
1 1 1  -43    5   21 o   57.747   14.633   9.9495   5.9697   14.115   8.5857   6.0511   8.3062   65.215   21.237   50.279   20.135 14.93618 29.26512 
1 1 1  -43    5   22 o   98.706   12.220   30.142   6.3454   27.606   9.0828   32.559   8.8684   93.126   18.699  104.285   15.737 -11.15940 24.44009 
1 1 1  -43    5   23 o   40.050   12.724  -2.0908   5.8275   1.3458   8.3357  -5.3760   8.1500   43.879   19.021   36.222   16.906 7.657944 25.44824 
1 1 1  -43    5   24 o   40.929   13.012  -1.7367   6.0535  -3.7236   8.6314   0.1866   8.4922   38.999   17.917   42.859   18.875 -3.859779 26.02469 
1 1 1  -43    5   25 o   76.768   21.096   19.476   9.0210   19.476   9.0210   0.0000   0.0000   76.768   21.096  ?   ?       ?      ? 
1 1 1  -43    5   26 o   27.528   9.7430 -21.0899   6.0576 -22.0745   9.0691 -20.2968   8.1395   28.314   14.163   26.742   13.383 1.572691 19.48598 
1 1 1  -43    5   27 o   91.489   13.542   26.917   6.6476   37.076   9.7898   18.225   9.0554  110.126   16.451   72.853   21.515 37.27288 27.08423 
1 1 1  -43    5   28 o   38.894   12.721  -5.1066   6.4879   2.3698   9.4457 -11.7842   8.9268   45.360   19.943   32.428   15.798 12.93192 25.44216 
1 1 1  -43    5   29 o  106.004   12.387   37.122   6.8291   31.853   9.8186   42.059   9.5048   95.965   19.597  116.043   15.158 -20.07722 24.77492 
1 1 1  -43    5   30 o   67.927   15.900   16.987   6.8414   15.027   9.7847   18.863   9.5692   64.214   22.651   71.641   22.319 -7.426834 31.79972 
1 1 1  -43    5   31 o   49.189   14.675   5.0642   6.7336   2.8697   9.6601   7.1382   9.3911   46.617   20.340   51.762   21.160 -5.145466 29.35071 
1 1 1  -43    5   32 o   50.094   14.582   5.2535   6.7218   12.382   9.7491  -1.2061   9.2803   59.085   22.323   41.102   18.769 17.98280 29.16479 
1 1 1  -43    5   33 o   56.415   14.980   10.125   6.6377   18.241   9.7663   3.1588   9.0488   68.146   22.673   44.684   19.586 23.46213 29.96090 
1 1 1  -43    6    1 o   43.569   12.719   1.4620   5.0448   6.8180   7.6179  -2.7217   6.7327   51.661   19.681   35.476   16.117 16.18509 25.43809 
1 1 1  -43    6    2 o   41.583   12.795  -1.8607   5.9211   4.9785   7.7414 -11.5022   9.1916   48.652   19.455   34.515   16.625 14.13677 25.59024 
1 1 1  -43    6    3 o  113.448   12.158   38.901   7.1654   46.036   10.179   31.892   10.089  125.686   14.987  101.210   19.148 24.47612 24.31609 
1 1 1  -43    6    4 o   54.674   14.461   5.7516   6.4185  -2.4775   8.8419   14.919   9.3323   41.172   18.610   68.177   22.138 -27.00478 28.92148 
1 1 1  -43    6    5 o  101.144   13.528   31.781   7.1188   34.032   10.280   29.707   9.8681  104.858   18.834   97.430   19.425 7.428352 27.05687 
1 1 1  -43    6    6 o   40.263   11.741  -2.8254   5.2338 -17.8382   8.1645   7.6480   6.8193   28.174   13.986   52.351   18.862 -24.17773 23.48209 
1 1 1  -43    6    7 o   72.330   12.380   16.836   5.3036   7.3853   8.0057   24.228   7.0803   53.190   20.196   91.470   14.325 -38.28072 24.76062 
1 1 1  -43    6    8 o   65.500   13.903   12.741   5.4099   18.734   8.4111   8.5133   7.0653   76.617   20.075   54.384   19.241 22.23323 27.80673 
1 1 1  -43    6    9 o   46.545   13.508   3.6845   5.4623   2.1839   8.1111   4.9299   7.3890   45.113   19.143   47.978   19.064 -2.864403 27.01635 
1 1 1  -43    6   10 o   47.562   13.085   1.5687   5.5142   11.690   8.2717  -6.5275   7.3979   61.598   20.867   33.525   15.793 28.07271 26.16944 
1 1 1  -43    6   11 o   54.036   13.789   5.4144   5.7295   15.538   8.8685  -1.8383   7.5063   69.480   21.460   38.593   17.322 30.88709 27.57866 
1 1 1  -43    6   12 o   60.290   17.209   8.7900   8.8667   2.6644   14.278   12.635   11.312   55.881   24.545   64.699   24.127 -8.818043 34.41777 
1 1 1  -43    6   13 o   46.597   15.278  -4.9429   8.6786  -7.1351   15.257  -3.8941   10.552   49.658   23.161   43.536   19.931 6.122322 30.55612 
1 1 1  -43    6   14 o   32.912   11.130  -9.3126   5.5329  -6.0552   8.3214 -11.8938   7.4075   36.401   17.020   29.424   14.347 6.976816 22.26000 
1 1 1  -43    6   15 o   60.483   14.509   11.332   5.7998   7.9297   8.8465   13.897   7.6808   54.878   21.135   66.088   19.885 -11.21000 29.01874 
1 1 1  -43    6   16 o   56.973   14.251   8.3063   5.7836   15.601   8.8388   2.8442   7.6483   69.105   21.437   44.840   18.783 24.26551 28.50174 
1 1 1  -43    6   17 o   31.612   10.856 -14.1722   5.8011  -4.8727   8.6074 -21.9118   7.8524   37.875   17.575   25.348   12.749 12.52722 21.71199 
1 1 1  -43    6   18 o   51.734   14.082   6.1362   5.8342   11.618   8.4696   1.1861   8.0481   60.469   21.092   42.999   18.665 17.47058 28.16483 
1 1 1  -43    6   19 o   61.007   14.474   11.364   5.8606   17.054   8.6545   6.5455   7.9647   71.344   21.023   50.670   19.901 20.67417 28.94859 
1 1 1  -43    6   20 o   43.334   13.195  -0.2281   6.0685  -8.0774   8.9597   6.4246   8.2486   35.846   17.032   50.823   20.159 -14.97701 26.39066 
1 1 1  -43    6   21 o   54.846   13.943   6.4691   5.9746   16.480   8.8813  -1.8066   8.0749   70.184   21.442   39.508   17.828 30.67620 27.88569 
1 1 1  -43    6   22 o   57.934   14.757   9.2288   6.2659   15.720   9.1116   3.4049   8.6307   68.708   21.831   47.159   19.863 21.54963 29.51491 
1 1 1  -43    6   23 o   42.391   19.140  -1.8547   9.3217  -1.8547   9.3217   0.0000   0.0000   42.391   19.140  ?   ?       ?      ? 
1 1 1  -43    6   24 o   98.970   17.722   30.408   9.1295   30.408   9.1295   0.0000   0.0000   98.970   17.722  ?   ?       ?      ? 
1 1 1  -43    6   25 o   47.405   13.982   2.3154   6.2691   8.5729   9.0459  -3.4676   8.6961   55.489   21.371   39.322   18.035 16.16667 27.96424 
1 1 1  -43    6   26 o   45.571   13.892   1.2771   6.4501  -3.9044   9.1223   6.4577   9.1215   39.504   18.246   51.638   20.952 -12.13390 27.78304 
1 1 1  -43    6   27 o   52.614   13.471   1.2405   6.4640   20.380   9.7168 -13.9537   8.6576   74.609   22.347   30.619   15.049 43.99052 26.94198 
1 1 1  -43    6   28 o   54.203   15.024   9.4974   6.6087   5.5253   9.7727   12.844   8.9708   48.876   20.883   59.529   21.606 -10.65292 30.04851 
1 1 1  -43    6   29 o   52.034   14.684   6.4270   6.5575   14.024   9.7771   0.2154   8.8408   62.158   22.557   41.910   18.806 20.24748 29.36772 
1 1 1  -43    6   30 o  106.608   12.462   36.274   7.0069   40.298   10.239   32.730   9.6096  113.351   16.716   99.865   18.488 13.48549 24.92477 
1 1 1  -43    6   31 o   62.711   15.706   13.591   7.0355   20.265   10.100   7.3008   9.8060   73.512   22.934   51.911   21.465 21.60029 31.41226 
1 1 1  -43    6   32 o   52.049   14.604   6.1568   6.9974  -4.5045   10.007   16.359   9.7887   39.126   18.411   64.972   22.674 -25.84612 29.20800 
1 1 1  -43    6   33 o   39.826   13.121  -2.7669   6.9061  -4.1361   9.8246  -1.4296   9.7097   38.801   18.254   40.850   18.853 -2.048592 26.24202 
1 1 1  -43    7    1 o  141.680   9.4330   57.707   7.2118   54.595   10.225   60.788   10.174  137.613   13.750  145.747   12.918 -8.134766 18.86599 
1 1 1  -43    7    2 o   45.410   13.239  -1.7361   6.2209 -13.7680   8.8504   10.014   8.7459   32.201   15.696   58.620   21.325 -26.41964 26.47859 
1 1 1  -43    7    3 o   74.817   15.210   18.038   6.5389   14.745   9.0124   21.698   9.5018   67.821   21.729   81.813   21.288 -13.99196 30.41936 
1 1 1  -43    7    4 o   91.891   11.526   23.934   5.4590   34.939   8.8095   17.075   6.9553  109.528   14.885   74.253   17.603 35.27517 23.05218 
1 1 1  -43    7    5 o   45.395   13.320   2.2405   5.3972   6.4799   8.3518  -0.7994   7.0723   52.054   20.398   38.736   17.134 13.31724 26.63939 
1 1 1  -43    7    6 f   77.662   13.254   18.587   5.5396   23.927   8.3117   14.320   7.4304   87.962   18.091   67.362   19.375 20.60033 26.50791 
1 1 1  -43    7    7 o   49.956   13.529   5.9073   5.3337   1.4193   8.3169   9.0426   6.9515   44.505   19.146   55.408   19.121 -10.90357 27.05886 
1 1 1  -43    7    8 o   45.679   13.323   3.3687   5.3017   3.5961   7.9150   3.1836   7.1402   46.756   19.305   44.602   18.367 2.153946 26.64680 
1 1 1  -43    7    9 o   56.540   13.900   9.1874   5.4947   4.3425   8.1740   13.182   7.4218   48.353   19.751   64.727   19.563 -16.37454 27.79968 
1 1 1  -43    7   10 o   38.713   12.327  -2.0400   5.4068  -2.8946   8.1436  -1.3663   7.2304   39.012   17.724   38.415   17.138 0.5972214 24.65493 
1 1 1  -43    7   11 o   52.298   13.158   3.5881   5.5776   15.976   8.5246  -5.6849   7.3754   70.408   20.896   34.188   15.998 36.22000 26.31645 
1 1 1  -43    7   12 o   53.533   16.311   2.7207   8.9980 -10.9595   16.104   8.9302   10.850   48.489   22.979   58.578   23.156 -10.08918 32.62289 
1 1 1  -43    7   13 o   81.443   18.670   21.190   9.3524   34.009   15.544   13.917   11.709   96.483   28.102   66.404   24.589 30.07890 37.34090 
1 1 1  -43    7   14 o   38.205   12.169  -3.3498   5.5389  -9.0757   8.0193   1.8736   7.6594   32.985   15.793   43.426   18.519 -10.44095 24.33898 
1 1 1  -43    7   15 o   92.431   12.471   26.528   6.0661   24.037   8.8393   28.745   8.3400   86.584   19.376   98.279   15.704 -11.69559 24.94136 
1 1 1  -43    7   16 o   31.781   10.900 -11.5325   5.8514 -13.7582   8.5911  -9.6067   7.9916   31.215   15.269   32.347   15.561 -1.132977 21.80091 
1 1 1  -43    7   17 o  130.752   9.2371   49.805   6.5042   47.969   9.4675   51.446   8.9510  128.014   13.686  133.490   12.409 -5.475952 18.47422 
1 1 1  -43    7   18 o   49.546   14.214   5.4069   5.9276   6.7671   8.7471   4.2517   8.0607   51.956   20.712   47.135   19.474 4.820889 28.42877 
1 1 1  -43    7   19 o   52.419   14.606   7.1006   6.0836   7.0589   8.7524   7.1395   8.4619   52.524   20.787   52.315   20.523 0.2090988 29.21159 
1 1 1  -43    7   20 o   52.893   14.575   7.3629   5.9847   7.6070   8.8840   7.1601   8.0979   53.699   21.040   52.086   20.176 1.613194 29.15003 
1 1 1  -43    7   21 o   46.103   13.836   2.2257   6.1761  -2.0226   9.0538   5.9233   8.4465   41.601   18.816   50.604   20.291 -9.003391 27.67224 
1 1 1  -43    7   22 o   50.868   20.874   5.3474   9.1822   5.3474   9.1822   0.0000   0.0000   50.868   20.874  ?   ?       ?      ? 
1 1 1  -43    7   23 o   58.066   13.269   4.3605   6.2928   22.659   9.5119  -9.8821   8.3916   82.827   21.172   33.304   16.002 49.52275 26.53846 
1 1 1  -43    7   24 o   43.974   13.288  -0.7092   6.1659  -9.3840   8.8362   7.5232   8.6079   34.688   16.601   53.259   20.753 -18.57059 26.57623 
1 1 1  -43    7   25 o   42.139   13.279  -0.5442   6.2009  -3.5826   9.0582   2.1353   8.5065   39.595   18.251   44.683   19.293 -5.087940 26.55770 
1 1 1  -43    7   26 o   42.813   13.499   0.6909   6.3177   1.1408   9.2947   0.3047   8.6132   43.867   19.511   41.758   18.662 2.109306 26.99878 
1 1 1  -43    7   27 o   58.021   15.389   11.194   6.6226   17.087   10.134   6.8017   8.7491   66.467   23.078   49.575   20.364 16.89215 30.77799 
1 1 1  -43    7   28 o   57.225   13.683   7.9467   6.5350  -6.8472   9.4311   21.610   9.0636   36.770   17.472   77.681   21.062 -40.91058 27.36568 
1 1 1  -43    7   29 o  101.253   13.401   33.889   7.0548   34.661   10.260   33.197   9.7163  102.006   19.321  100.501   18.576 1.505211 26.80192 
1 1 1  -43    7   30 o   59.463   15.676   12.265   6.7493   12.171   9.3754   12.367   9.7240   59.289   21.993   59.636   22.343 -0.3460884 31.35162 
1 1 1  -43    7   31 o   61.742   15.910   14.190   7.0128   18.097   10.077   10.522   9.7651   68.024   23.033   55.460   21.954 12.56392 31.81971 
1 1 1  -43    7   32 o   42.605   13.579   0.2641   6.7119   4.8025   9.6422  -4.0021   9.3487   47.152   20.449   38.058   17.873 9.093868 27.15883 
1 1 1  -43    8    1 o  106.675   13.066   34.884   7.2458   44.459   10.686   26.734   9.8583  122.305   16.169   91.045   20.528 31.25967 26.13136 
1 1 1  -43    8    2 o   57.436   14.640   9.5988   5.6441   10.158   9.4944   9.2935   7.0189   59.119   22.092   55.754   19.215 3.365261 29.27926 
1 1 1  -43    8    3 o   67.132   14.041   14.558   5.4991   12.223   8.4639   16.264   7.2339   62.449   21.108   71.816   18.521 -9.366501 28.08163 
1 1 1  -43    8    4 o  138.037   8.2897   54.857   6.0483   49.552   9.2765   58.779   7.9770  131.338   13.071  144.737   10.199 -13.39922 16.57947 
1 1 1  -43    8    5 o   48.238   13.508   4.6715   5.5244  -0.9045   8.7257   8.4018   7.1370   42.443   18.889   54.032   19.315 -11.58943 27.01590 
1 1 1  -43    8    6 o  169.159   7.4636   78.423   6.7189   92.943   10.700   68.972   8.6329  181.523   10.909  156.794   10.189 24.72856 14.92727 
1 1 1  -43    8    7 o   50.779   14.026   6.0035   5.5512   8.0859   8.4123   4.3973   7.3881   54.651   20.715   46.908   18.918 7.743225 28.05294 
1 1 1  -43    8    8 o   41.352   12.703  -0.8704   5.3161   4.6425   8.3675  -4.6019   6.8841   48.934   19.986   33.770   15.686 15.16468 25.40628 
1 1 1  -43    8    9 o   41.612   13.005  -0.3456   5.6780  -0.2275   8.8093  -0.4295   7.4264   43.307   19.140   39.916   17.611 3.390923 26.00982 
1 1 1  -43    8   10 o   39.719   12.483  -1.1004   5.4355  -3.8821   8.1260   1.1521   7.3123   37.759   17.361   41.679   17.941 -3.919350 24.96601 
1 1 1  -43    8   11 o   62.250   13.651   8.3192   5.9884   23.998   9.6213  -1.5961   7.6511   85.562   20.972   38.938   17.482 46.62461 27.30279 
1 1 1  -43    8   12 o   53.078   16.755   1.6082   9.4929   0.7144   15.899   2.1034   11.834   55.243   24.965   50.913   22.355 4.329422 33.51088 
1 1 1  -43    8   13 o   77.145   18.566   17.038   9.3173   36.959   16.465   7.6532   11.301   97.927   29.035   56.364   23.147 41.56316 37.13203 
1 1 1  -43    8   14 o   36.271   11.912  -7.5286   5.7771   0.9921   8.6453 -14.4032   7.7654   43.907   19.197   28.635   14.109 15.27219 23.82406 
1 1 1  -43    8   15 o   48.426   13.376   1.0831   6.0135   13.531   8.8632  -9.5346   8.1859   64.018   21.601   32.834   15.783 31.18382 26.75248 
1 1 1  -43    8   16 o   60.176   14.997   11.465   6.2566   7.5874   9.2337   14.756   8.5072   53.784   21.330   66.568   21.088 -12.78389 29.99495 
1 1 1  -43    8   17 o  102.596   12.106   32.119   6.3067   46.600   9.4510   20.495   8.4678  126.090   13.871   79.102   19.844 46.98775 24.21161 
1 1 1  -43    8   18 o   68.027   14.907   15.328   6.2508   10.842   9.0356   19.445   8.6564   59.294   21.659   76.759   20.488 -17.46450 29.81365 
1 1 1  -43    8   19 o   34.854   11.755  -8.7560   6.1511  -9.5792   8.9341  -8.0142   8.4815   34.838   16.678   34.871   16.569 -0.3299713E-01 23.50905 
1 1 1  -43    8   21 o   89.227   18.396   25.075   8.5752   0.0000   0.0000   25.075   8.5752  ?   ?    89.227   18.396      ?      ? 
1 1 1  -43    8   22 o   46.426   13.746  -1.6074   6.5341   10.780   9.7123 -11.8502   8.8315   59.780   22.343   33.072   16.019 26.70800 27.49228 
1 1 1  -43    8   23 o   52.417   14.880   6.7649   6.4280   6.6104   9.3265   6.9047   8.8716   52.467   21.221   52.367   20.864 0.1003761 29.75987 
1 1 1  -43    8   24 o   48.820   13.863   3.2527   6.3027  -5.9002   8.9741   12.162   8.8540   37.186   17.479   60.454   21.523 -23.26794 27.72651 
1 1 1  -43    8   25 o   40.873   13.131  -1.5524   6.3924   2.4049   9.2389  -5.1867   8.8538   44.932   19.740   36.813   17.322 8.118126 26.26240 
1 1 1  -43    8   26 o   50.289   14.585   6.9388   6.4774   3.5091   9.5245   9.8900   8.8351   46.167   20.168   54.411   21.075 -8.244629 29.17025 
1 1 1  -43    8   27 o   57.248   14.967   9.8789   6.4797   17.394   9.6659   3.7454   8.7324   68.520   22.544   45.975   19.694 22.54456 29.93495 
1 1 1  -43    8   28 o   51.656   14.375   6.4733   6.4629  -1.3522   9.5847   12.998   8.7517   42.069   19.158   61.243   21.436 -19.17424 28.74917 
1 1 1  -43    8   29 o   53.533   15.238   8.5320   6.7815   7.3991   9.8080   9.5697   9.3870   52.101   21.499   54.966   21.599 -2.864998 30.47540 
1 1 1  -43    8   30 o   36.593   12.361  -7.3087   6.8702  -8.5959   9.9212  -6.1229   9.5229   36.126   17.368   37.059   17.594 -0.9325027 24.72220 
1 1 1  -43    8   31 o   40.609   13.285  -1.9933   6.9040   0.5155   9.8597  -4.4068   9.6706   42.887   19.492   38.332   18.057 4.554985 26.56995 
1 1 1  -43    9    1 o   48.134   13.293   4.9030   5.4383  -1.6291   8.4107   9.5962   7.1291   40.429   18.224   55.839   19.358 -15.40947 26.58680 
1 1 1  -43    9    2 o  133.180   9.1262   53.845   6.1923   38.655   9.4093   65.449   8.2244  113.981   15.277  152.379   9.9883 -38.39792 18.25242 
1 1 1  -43    9    3 o   73.916   14.020   18.050   5.7230   16.187   8.7788   19.428   7.5472   69.695   21.322   78.138   18.211 -8.443764 28.04083 
1 1 1  -43    9    4 f  114.486   9.6413   38.096   5.9022   39.107   9.0546   37.350   7.7830  115.223   14.543  113.749   12.662 1.473297 19.28268 
1 1 1  -43    9    5 o   62.550   14.575   12.081   5.7499   16.559   8.8339   8.7892   7.5740   70.502   21.351   54.598   19.847 15.90422 29.15072 
1 1 1  -43    9    6 o   60.471   14.466   11.726   5.6321   9.7847   9.1103   12.927   7.1655   57.532   21.613   63.410   19.235 -5.877701 28.93265 
1 1 1  -43    9    7 o   61.584   14.498   12.330   5.8452   8.1307   9.2062   15.167   7.5659   54.861   21.439   68.308   19.522 -13.44666 28.99540 
1 1 1  -43    9    8 o   45.476   13.621   2.6808   5.6358   4.3696   9.1593   1.6519   7.1495   49.222   20.581   41.731   17.847 7.490471 27.24116 
1 1 1  -43    9    9 o   46.537   12.893   1.3434   5.8907 -12.7999   9.1173   11.479   7.7180   33.076   16.080   59.998   20.157 -26.92181 25.78545 
1 1 1  -43    9   10 o   40.158   12.572  -1.4357   5.6818  -7.7538   8.6527   3.3538   7.5336   35.379   16.789   44.936   18.717 -9.557457 25.14308 
1 1 1  -43    9   11 o   50.382   15.891  -8.4815   7.2411   18.313   16.289 -15.0806   8.0838   71.679   28.361   29.086   14.343 42.59320 31.78212 
1 1 1  -43    9   12 o   61.853   18.019   10.667   9.3586   10.745   16.397   10.628   11.397   63.627   27.114   60.078   23.739 3.549236 36.03756 
1 1 1  -43    9   13 o  104.427   18.281   40.438   10.053   36.194   17.273   42.613   12.363   94.783   30.052  114.071   20.824 -19.28764 36.56166 
1 1 1  -43    9   14 o   59.480   13.990   10.367   6.1110   0.6364   9.1117   18.322   8.2387   44.374   19.546   74.586   20.022 -30.21160 27.98086 
1 1 1  -43    9   15 o   52.885   14.668   7.1829   6.2002   4.6167   9.1350   9.3748   8.4426   49.518   20.616   56.252   20.870 -6.734074 29.33560 
1 1 1  -43    9   16 o   35.551   11.892  -7.4785   6.0763 -10.6534   9.1948  -5.0171   8.0960   34.705   16.694   36.398   16.941 -1.692856 23.78427 
1 1 1  -43    9   17 o   39.628   12.905  -3.9934   6.3472  -3.2114   9.4694  -4.6313   8.5529   41.334   18.907   37.923   17.569 3.410927 25.81021 
1 1 1  -43    9   18 o   47.395   14.216   2.9910   6.3712   0.8791   9.3255   4.8396   8.7248   45.355   19.881   49.435   20.324 -4.079487 28.43124 
1 1 1  -43    9   19 o   50.716   21.330   4.3977   9.9287   4.3977   9.9287   0.0000   0.0000   50.716   21.330  ?   ?       ?      ? 
1 1 1  -43    9   20 o   53.689   14.721   7.1861   6.4759   0.7209   10.207   11.541   8.3777   46.809   20.650   60.569   20.986 -13.76062 29.44185 
1 1 1  -43    9   21 f   59.310   14.882   10.522   6.5101   3.2630   9.7849   16.287   8.7203   48.755   20.865   69.865   21.225 -21.11023 29.76350 
1 1 1  -43    9   22 o   87.306   13.514   26.478   6.7011   12.071   9.9076   38.626   9.0977   60.948   22.609  113.663   14.812 -52.71546 27.02875 
1 1 1  -43    9   23 o   39.152   12.739  -3.3841   6.1683   0.9336   9.3910  -6.6602   8.1803   43.952   19.576   34.351   16.308 9.600521 25.47835 
1 1 1  -43    9   24 o   48.561   14.460   5.7040   6.4824   4.3579   9.6966   6.7917   8.7165   47.487   20.550   49.636   20.350 -2.149120 28.92093 
1 1 1  -43    9   25 o   82.918   14.915   24.599   6.6685   27.117   10.032   22.605   8.9257   86.340   21.567   79.495   20.608 6.844955 29.82935 
1 1 1  -43    9   26 o   62.173   14.236   10.472   6.7491   25.116   9.8676  -2.4006   9.2515   84.014   21.612   40.332   18.537 43.68200 28.47270 
1 1 1  -43    9   27 o   37.228   12.370  -6.7873   6.5541 -13.5283   9.5956  -0.8918   8.9736   33.101   16.180   41.354   18.716 -8.253147 24.74023 
1 1 1  -43    9   28 o   54.520   14.859   8.6508   6.6990   1.4826   9.6617   15.287   9.2964   44.542   19.846   64.498   22.120 -19.95612 29.71807 
1 1 1  -43    9   29 o   33.187   11.451 -12.3807   6.6988  -7.6528   9.6619 -16.7568   9.2956   36.165   17.321   30.208   14.984 5.957170 22.90288 
1 1 1  -43    9   30 o   55.902   13.499   4.1919   6.8582   24.727   9.8838 -14.8757   9.5241   80.332   22.084   31.473   15.530 48.85902 26.99767 
1 1 1  -43   10    1 o   41.733   12.965   0.2653   5.6720  -2.3327   8.7144   2.1750   7.4713   40.367   18.338   43.098   18.333 -2.731068 25.93007 
1 1 1  -43   10    2 o   50.907   14.077   4.9659   5.7561   12.122   9.1621   0.2999   7.3984   61.445   21.893   40.369   17.702 21.07602 28.15392 
1 1 1  -43   10    3 o  102.078   12.255   34.633   6.1410   20.909   9.3086   45.209   8.1715   78.806   21.336  125.350   12.064 -46.54394 24.51035 
1 1 1  -43   10    4 o   35.402   11.759  -6.0119   5.7290  -8.9230   8.8683  -3.9269   7.5052   35.001   16.718   35.803   16.542 -0.8023834 23.51837 
1 1 1  -43   10    5 o  170.712   7.5319   82.395   6.8445   84.762   10.686   80.748   8.9128  172.108   11.490  169.317   9.7415 2.791061 15.06372 
1 1 1  -43   10    6 o   55.476   13.828   8.4639   5.9266  -0.6940   9.0622   15.308   7.8343   42.765   19.125   68.187   19.977 -25.42131 27.65574 
1 1 1  -43   10    7 o   54.786   14.465   8.8257   5.7414   6.8939   9.3934   9.9779   7.2542   52.951   21.339   56.621   19.533 -3.669388 28.92939 
1 1 1  -43   10    8 o   80.700   14.456   20.815   6.1768   25.457   10.070   18.016   7.8206   87.037   21.531   74.362   19.296 12.67500 28.91210 
1 1 1  -43   10    9 o   62.674   15.143   12.008   6.1110   17.141   9.7906   8.7314   7.8216   70.848   22.642   54.500   20.114 16.34798 30.28558 
1 1 1  -43   10   10 o   76.579   14.506   18.503   6.1606   26.149   9.7330   13.392   7.9575   89.108   20.622   64.049   20.407 25.05939 29.01195 
1 1 1  -43   10   11 o   56.632   17.175   5.8744   9.5690  -4.2973   17.324   10.340   11.479   53.220   24.775   60.045   23.792 -6.824375 34.34939 
1 1 1  -43   10   12 o   89.469   18.038   21.161   9.8224   55.608   17.961   6.4617   11.732  123.551   27.598   55.387   23.235 68.16469 36.07683 
1 1 1  -43   10   13 o   42.536   13.935  -6.8315   7.3825 -12.1404   9.3531   1.9417   12.024   34.138   16.523   50.933   22.444 -16.79507 27.86997 
1 1 1  -43   10   14 o   64.016   15.137   12.455   6.5127   19.520   9.5506   6.3147   8.9040   76.196   21.981   51.837   20.816 24.35944 30.27312 
1 1 1  -43   10   15 o   58.344   15.327   10.101   6.3948   10.468   9.8057   9.8287   8.4354   59.354   22.396   57.335   20.930 2.019409 30.65366 
1 1 1  -43   10   16 o  108.789   17.171   35.819   10.094   35.819   10.094   0.0000   0.0000  108.789   17.171  ?   ?       ?      ? 
1 1 1  -43   10   17 o   98.243   13.421   30.655   6.8826   27.291   10.371   33.303   9.2008   90.916   21.456  105.570   16.129 -14.65409 26.84179 
1 1 1  -43   10   18 o   64.240   15.536   13.463   6.5103   11.955   9.8695   14.625   8.6622   61.784   22.626   66.697   21.295 -4.912308 31.07133 
1 1 1  -43   10   19 o   48.234   14.516   2.8897   6.5414   6.5985   10.315   0.3944   8.4604   53.673   22.086   42.795   18.844 10.87775 29.03220 
1 1 1  -43   10   20 o   37.376   12.264  -7.2865   6.4002 -18.2791   9.6985   1.1936   8.5184   31.266   15.472   43.487   19.034 -12.22145 24.52897 
1 1 1  -43   10   21 o   52.214   15.013   7.1784   6.5755   9.8916   10.171   5.2299   8.6189   56.277   22.365   48.152   20.035 8.125118 30.02665 
1 1 1  -43   10   22 o   51.475   14.963   6.6910   6.6692   12.088   10.439   2.9686   8.6692   58.453   22.833   44.496   19.343 13.95674 29.92517 
1 1 1  -43   10   23 o   64.118   15.869   15.383   6.7917   17.743   9.9737   13.343   9.2742   67.863   22.914   60.374   21.960 7.488960 31.73769 
1 1 1  -43   10   24 o   43.384   13.586  -2.1344   6.7364   8.1216   9.9379 -10.8528   9.1628   53.211   21.762   33.558   16.269 19.65340 27.17107 
1 1 1  -43   10   25 o   57.332   14.882   8.4923   6.7429   19.365   10.068  -0.3512   9.0800   72.537   22.937   42.128   18.968 30.40909 29.76401 
1 1 1  -43   10   26 o   65.118   15.478   13.829   6.7846   23.475   10.489   6.8904   8.8963   79.522   23.062   50.715   20.648 28.80752 30.95514 
1 1 1  -43   10   27 o   62.552   15.841   13.961   6.8740   19.751   10.483   9.5938   9.1049   71.000   23.483   54.104   21.268 16.89552 31.68298 
1 1 1  -43   10   28 o   44.678   14.070   2.2538   6.8497   4.2407   10.071   0.5438   9.3435   47.119   20.658   42.237   19.108 4.881348 28.13991 
1 1 1  -43   11    1 o   62.092   14.117   12.601   5.9419   4.2454   9.7783   17.493   7.4816   50.222   21.148   73.961   18.707 -23.73836 28.23448 
1 1 1  -43   11    2 o   39.539   12.750  -2.7090   5.9261  -3.5996   9.4305  -2.1278   7.6182   40.909   18.770   38.170   17.262 2.739529 25.50084 
1 1 1  -43   11    3 o   28.531   10.019 -18.6121   6.0210 -27.0968   9.5362 -12.9873   7.7644   27.519   13.867   29.544   14.465 -2.024172 20.03877 
1 1 1  -43   11    4 o   55.123   14.437   6.7103   6.0399   15.503   9.4696   0.6800   7.8421   68.217   22.308   42.030   18.333 26.18673 28.87428 
1 1 1  -43   11    5 o   55.715   14.453   7.7473   5.9720   14.802   9.1081   2.4273   7.9095   66.930   21.878   44.501   18.894 22.42917 28.90698 
1 1 1  -43   11    6 o   33.223   11.361 -12.5366   5.8078  -4.0885   9.4968 -17.5838   7.3404   40.583   18.700   25.863   12.907 14.72078 22.72187 
1 1 1  -43   11    7 o   54.319   14.388   6.0266   5.9730   15.232   9.5988   0.2098   7.6302   67.674   22.476   40.965   17.970 26.70898 28.77598 
1 1 1  -43   11    8 o   68.792   15.522   14.877   6.4490   20.644   10.368   11.237   8.2361   77.702   23.041   59.882   20.804 17.81976 31.04345 
1 1 1  -43   11    9 o   39.432   12.909  -5.0013   6.3057  -1.4446   10.153  -7.2349   8.0456   44.467   20.035   34.396   16.284 10.07077 25.81815 
1 1 1  -43   11   10 o   42.145   13.488  -2.0430   6.3238  -0.2372   10.517  -3.0656   7.9144   46.373   20.680   37.917   17.322 8.455769 26.97638 
1 1 1  -43   11   11 o   70.890   17.428   16.736   10.023  -6.1667   17.676   27.590   12.168   52.907   24.760   88.873   24.533 -35.96639 34.85559 
1 1 1  -43   11   12 o  124.571   16.617   62.947   11.131   19.363   17.944   90.203   14.190   74.280   29.648  174.861   15.018 -100.5808 33.23495 
1 1 1  -43   11   13 o  118.915   11.183   42.046   7.1457   42.532   10.687   41.654   9.6096  118.958   16.626  118.873   14.960 0.8515167E-01 22.36572 
1 1 1  -43   11   14 o   43.371   13.795  -1.3343   6.6881  -1.3495   10.380  -1.3235   8.7453   45.030   20.277   41.712   18.711 3.318283 27.59076 
1 1 1  -43   11   15 o   35.282   11.945  -9.8920   6.5087 -12.6474   9.6227  -7.5682   8.8368   34.469   16.702   36.095   17.081 -1.625214 23.88974 
1 1 1  -43   11   16 o   46.096   14.176   1.4676   6.6998  -2.2371   10.093   4.3862   8.9583   43.343   19.707   48.848   20.383 -5.505306 28.35244 
1 1 1  -43   11   17 f   36.476   12.245  -7.6158   6.4440  -9.0914   10.044  -6.5833   8.4013   37.432   17.854   35.519   16.762 1.912472 24.48946 
1 1 1  -43   11   18 o   44.230   13.858   0.7904   6.6421  -2.6219   10.196   3.3058   8.7544   42.333   19.458   46.126   19.738 -3.792717 27.71637 
1 1 1  -43   11   19 o   88.642   14.559   27.801   6.8308   24.918   10.355   30.023   9.0890   82.135   22.614   95.150   18.342 -13.01521 29.11767 
1 1 1  -43   11   20 o  130.035   10.549   50.330   7.2234   69.165   11.474   37.964   9.2971  150.238   14.133  109.832   15.665 40.40587 21.09841 
1 1 1  -43   11   21 o  100.081   13.763   34.294   7.1272   35.107   10.767   33.660   9.5086   99.814   20.644  100.348   18.206 -0.5336533 27.52509 
1 1 1  -43   11   22 o   48.400   14.636   4.4690   6.7093   6.7140   10.424   2.8812   8.7665   51.811   21.827   44.989   19.504 6.822887 29.27173 
1 1 1  -43   11   23 o   44.273   13.893   1.2114   6.6033   0.4833   9.9836   1.7776   8.8042   44.557   19.989   43.990   19.300 0.5665245 27.78573 
1 1 1  -43   11   24 o   87.812   14.923   26.749   6.9542   29.428   10.534   24.679   9.2580   91.227   21.688   84.398   20.503 6.828407 29.84526 
1 1 1  -43   11   25 o   53.848   15.318   9.0096   6.9301   6.2282   10.367   11.257   9.3179   50.604   21.562   57.092   21.762 -6.487904 30.63501 
1 1 1  -43   11   26 o   46.443   14.113   1.3863   6.7851   11.958   10.277  -6.7817   9.0337   57.407   22.587   35.480   16.926 21.92776 28.22532 
1 1 1  -43   11   27 o   77.674   15.780   23.229   6.9377   24.973   10.465   21.861   9.2664   79.486   23.032   75.863   21.578 3.622841 31.56096 
1 1 1  -43   12    1 o   57.969   15.017   10.145   6.1062   9.7086   9.5308   10.449   7.9527   57.792   22.014   58.146   20.430 -0.3544388 30.03313 
1 1 1  -43   12    2 o   38.305   12.554  -5.0593   6.1209  -2.1254   9.3197  -7.2849   8.1170   42.078   19.055   34.532   16.350 7.545536 25.10837 
1 1 1  -43   12    3 o   37.501   17.368  -4.5782   8.3484   0.0000   0.0000  -4.5782   8.3484  ?   ?    37.501   17.368      ?      ? 
1 1 1  -43   12    4 o  103.037   15.271   31.434   8.5023   0.0000   0.0000   31.434   8.5023  ?   ?   103.037   15.271      ?      ? 
1 1 1  -43   12    5 o   54.001   14.835   6.9574   6.1312   11.566   9.8556   4.0480   7.8311   61.213   22.581   46.790   19.248 14.42376 29.67085 
1 1 1  -43   12    6 o   52.114   14.417   6.4123   6.2867  -0.6153   10.192   10.728   7.9871   45.395   20.293   58.834   20.485 -13.43912 28.83443 
1 1 1  -43   12    7 o   92.381   13.876   25.997   6.6116   35.716   10.769   20.117   8.3762  105.949   19.529   78.813   19.717 27.13596 27.75147 
1 1 1  -43   12    8 o   46.776   13.510   1.3687   6.3311 -11.2778   9.9507   9.9702   8.2064   36.134   17.378   57.418   20.692 -21.28356 27.02075 
1 1 1  -43   12    9 o   33.171   11.529 -15.6428   6.5452 -10.6477   10.905 -18.4554   8.1830   38.629   18.475   27.714   13.798 10.91524 23.05897 
1 1 1  -43   12   10 o   42.913   14.763 -11.1208   7.6731  -3.7185   17.764 -12.8188   8.5078   54.237   25.195   31.589   15.396 22.64807 29.52641 
1 1 1  -43   12   11 o   54.879   17.271   2.5564   10.405  -6.9099   18.108   7.2230   12.714   52.565   24.745   57.192   24.100 -4.627003 34.54192 
1 1 1  -43   12   12 o   61.241   18.384   9.4585   10.537   5.0068   17.811   11.856   13.070   59.785   26.769   62.698   25.205 -2.912910 36.76752 
1 1 1  -43   12   13 o   41.793   13.453  -2.1292   6.5965  -1.4582   10.120  -2.6250   8.6982   43.807   19.846   39.779   18.167 4.027622 26.90558 
1 1 1  -43   12   14 o   50.867   14.016   4.1910   6.6448  -8.6512   10.062   14.122   8.8486   37.514   17.888   64.220   21.583 -26.70580 28.03217 
1 1 1  -43   12   15 o   40.955   13.290  -2.3182   6.6965  -4.6701   10.201  -0.5375   8.8767   40.343   18.858   41.567   18.731 -1.224274 26.57923 
1 1 1  -43   12   16 o   38.638   12.814  -4.6099   6.6710  -4.0220   10.231  -5.0447   8.7987   40.465   18.905   36.811   17.304 3.653881 25.62831 
1 1 1  -43   12   17 o   51.058   14.841   7.4635   6.5252   6.8621   10.288   7.8682   8.4402   51.098   21.613   51.019   20.343 0.7819366E-01 29.68111 
1 1 1  -43   12   18 o   80.215   12.706   23.926   6.8705   2.5929   10.411   40.384   9.1446   46.360   20.632  114.070   14.836 -67.71010 25.41243 
1 1 1  -43   12   19 o   48.660   14.703   4.9279   6.7483   6.3574   10.565   3.9428   8.7704   51.204   21.791   46.116   19.745 5.087875 29.40619 
1 1 1  -43   12   20 o   74.792   15.141   20.485   6.9535   12.010   10.252   27.705   9.4627   59.404   22.783   90.180   19.948 -30.77580 30.28158 
1 1 1  -43   12   21 o   39.872   12.982  -4.1660   6.7713 -12.5358   10.484   1.8249   8.8695   35.581   17.285   44.164   19.374 -8.583565 25.96351 
1 1 1  -43   12   22 o   68.351   14.400   14.099   6.7192   29.523   10.277   2.5813   8.8804   91.806   21.151   44.895   19.547 46.91134 28.80008 
1 1 1  -43   12   23 o   70.305   16.072   18.469   7.0259   23.454   10.522   14.458   9.4381   78.120   23.222   62.490   22.225 15.62996 32.14363 
1 1 1  -43   12   24 o   88.749   15.277   28.698   7.1416   31.628   11.353   26.780   9.1869   90.688   23.103   86.810   19.997 3.878380 30.55487 
1 1 1  -43   12   25 o   53.656   14.916   7.1626   7.0545   18.524   10.430  -2.4167   9.5773   67.532   23.415   39.780   18.486 27.75147 29.83255 
1 1 1  -43   13    1 o   49.547   13.952   5.6389   6.1389  -1.8063   9.2168   11.576   8.2302   40.775   18.652   58.320   20.753 -17.54449 27.90308 
1 1 1  -43   13    2 o   47.566   13.947   3.2052   6.0862   10.602   9.3667  -2.1992   8.0067   57.088   21.805   38.045   17.397 19.04274 27.89459 
1 1 1  -43   13    3 o   41.138   12.928  -4.7708   6.1727   7.6013   9.5035 -13.7991   8.1183   52.760   21.393   29.516   14.520 23.24412 25.85554 
1 1 1  -43   13    4 o   52.542   14.867   7.1778   6.4045   10.831   9.7291   4.3842   8.5079   57.961   22.203   47.124   19.778 10.83743 29.73471 
1 1 1  -43   13    5 o   63.783   14.676   13.884   6.5050   5.0632   9.8761   20.643   8.6453   49.913   21.148   77.652   20.355 -27.73902 29.35248 
1 1 1  -43   13    6 o  101.339   13.128   34.955   6.6333   26.194   10.574   40.641   8.5179   85.685   22.536  116.993   13.474 -31.30796 26.25659 
1 1 1  -43   13    7 o   34.533   11.672  -8.6785   6.2292 -14.2839   9.6431  -4.6645   8.1603   32.907   16.114   36.158   16.890 -3.250893 23.34360 
1 1 1  -43   13    8 o   36.550   12.225  -9.8545   6.3398   1.1156   9.9156 -17.4401   8.2454   45.184   20.120   27.916   13.891 17.26826 24.44975 
1 1 1  -43   13    9 f   42.293   13.525  -1.8407   6.5681   4.2225   10.265  -6.0441   8.5468   48.892   21.151   35.693   16.863 13.19918 27.05049 
1 1 1  -43   13   10 o   46.710   15.720  -5.8945   10.524  -8.6892   17.824  -4.3986   13.040   48.502   23.308   44.918   21.099 3.584618 31.43949 
1 1 1  -43   13   11 f   62.168   18.841   13.334   10.912   18.559   18.237   10.421   13.619   66.540   28.481   57.796   24.672 8.743279 37.68117 
1 1 1  -43   13   12 o   46.301   14.926  -0.2333   7.9255  -3.8557   9.9540   6.0405   13.100   39.867   18.633   52.736   23.322 -12.86874 29.85144 
1 1 1  -43   13   13 o   45.918   14.102   2.2621   6.5524   8.8064   10.153  -2.4094   8.5780   53.438   21.942   38.399   17.721 15.03864 28.20414 
1 1 1  -43   13   14 o   64.169   15.618   14.217   6.7281   22.686   10.553   8.4169   8.7330   76.311   23.383   52.027   20.709 24.28335 31.23544 
1 1 1  -43   13   15 o   50.096   14.732   5.2966   6.6279   11.925   10.389   0.7464   8.6071   58.329   22.780   41.864   18.686 16.46468 29.46350 
1 1 1  -43   13   16 o   41.790   13.453  -2.5866   6.6954   4.0772   10.266  -7.5195   8.8325   48.490   21.065   35.089   16.739 13.40157 26.90540 
1 1 1  -43   13   17 o   50.213   14.589   6.3349   6.4104   3.8932   9.8269   8.1437   8.4577   47.997   20.730   52.429   20.532 -4.431946 29.17706 
1 1 1  -43   13   18 o   49.887   14.621   5.9221   6.5195   3.3918   9.9386   7.8333   8.6376   47.630   20.708   52.144   20.646 -4.514317 29.24219 
1 1 1  -43   13   19 o  103.701   13.126   35.470   7.0966   32.517   10.553   37.908   9.5885   97.071   20.748  110.332   16.083 -13.26081 26.25113 
1 1 1  -43   13   20 o   38.496   12.715  -4.4765   6.6392  -9.5843   10.316  -0.8648   8.6745   36.633   17.637   40.360   18.320 -3.726269 25.42946 
1 1 1  -43   13   21 o   67.145   14.761   14.060   6.9904   30.289   10.731   2.0973   9.2132   90.282   22.161   44.007   19.506 46.27544 29.52262 
1 1 1  -43   13   22 o   46.225   14.067   4.0887   6.5710  -0.7868   9.9989   7.7950   8.7178   42.006   19.293   50.445   20.477 -8.438545 28.13444 
1 1 1  -43   13   23 o   52.820   14.906   7.5002   6.8536   16.394   10.187   0.1446   9.2638   64.045   23.056   41.594   18.900 22.45076 29.81263 
1 1 1  -43   14    1 o  101.878   13.155   33.880   6.8941   38.854   10.802   30.462   8.9553  107.464   19.311   96.292   17.869 11.17134 26.30996 
1 1 1  -43   14    2 o   44.736   13.814   1.8838   6.3508   6.4521   9.5685  -1.7132   8.4906   50.310   21.036   39.162   17.910 11.14779 27.62762 
1 1 1  -43   14    3 o   62.250   14.359   13.668   6.4308   3.5715   9.8453   21.180   8.4928   46.959   20.510   77.541   20.102 -30.58192 28.71860 
1 1 1  -43   14    4 o  112.786   11.981   41.413   6.9384   37.907   10.637   44.010   9.1541  105.537   19.365  120.035   14.113 -14.49764 23.96188 
1 1 1  -43   14    5 o   43.530   13.178   0.5326   6.3100 -11.2746   9.8403   8.7783   8.2233   34.528   16.767   52.532   20.336 -18.00415 26.35688 
1 1 1  -43   14    6 o   53.962   14.997   9.4025   6.4338   7.7204   9.8843   10.639   8.4749   52.048   21.539   55.877   20.874 -3.829464 29.99388 
1 1 1  -43   14    7 o   49.729   14.565   6.5309   6.3571   5.9058   9.9284   6.9653   8.2760   49.794   21.156   49.664   20.025 0.1305351 29.13000 
1 1 1  -43   14    8 o   77.185   15.187   20.926   6.8501   31.081   10.461   13.302   9.0638   93.539   21.187   60.831   21.764 32.70801 30.37387 
1 1 1  -43   14    9 o   59.198   17.265   11.810   8.4012   5.2320   19.581   13.294   9.3007   57.432   26.599   60.964   22.019 -3.532112 34.53075 
1 1 1  -43   14   10 o   50.921   16.725  -0.1826   10.950  -3.9392   17.886   2.0694   13.849   51.063   24.204   50.779   23.087 0.2848549 33.44920 
1 1 1  -43   14   11 o   78.217   19.331   26.939   11.459   11.597   18.695   36.171   14.502   62.048   27.629   94.386   27.045 -32.33791 38.66241 
1 1 1  -43   14   12 o   57.522   15.276   9.9709   6.6071   16.445   10.042   5.0294   8.7735   66.997   22.990   48.047   20.121 18.95048 30.55113 
1 1 1  -43   14   13 o   68.079   15.691   16.001   6.6477   21.877   10.357   11.884   8.6693   77.009   23.072   59.150   21.272 17.85865 31.38209 
1 1 1  -43   14   14 o   45.979   13.553  -0.3779   6.7829 -16.0497   10.304   11.604   9.0102   33.307   16.380   58.650   21.597 -25.34354 27.10633 
1 1 1  -43   14   15 o   53.350   15.278   8.1745   6.8142   7.5090   10.529   8.6542   8.9384   53.167   22.135   53.533   21.064 -0.3657150 30.55543 
1 1 1  -43   14   16 o   46.462   14.294   3.2195   6.6920   4.7177   9.8498   1.9351   9.1201   48.605   20.871   44.318   19.537 4.287365 28.58825 
1 1 1  -43   14   17 o   42.567   13.525  -0.1909   6.7277  -6.2969   10.314   4.3307   8.8759   38.670   18.344   46.464   19.878 -7.794418 27.04919 
1 1 1  -43   14   18 o   48.246   14.679   5.1622   6.9658   2.8130   10.589   6.9547   9.2490   46.530   20.751   49.963   20.768 -3.432373 29.35834 
1 1 1  -43   14   19 o   53.832   15.366   9.5587   6.8194   11.499   10.563   8.1720   8.9299   56.532   22.683   51.133   20.736 5.399471 30.73247 
1 1 1  -43   14   20 o   49.535   14.523   5.7741   7.0022  -3.2715   10.638   12.690   9.3015   40.841   19.143   58.228   21.845 -17.38711 29.04629 
1 1 1  -43   15    1 o   44.194   13.221  -1.3372   6.5861 -16.9035   9.9840   10.655   8.7632   32.002   15.811   56.387   21.194 -24.38572 26.44209 
1 1 1  -43   15    2 o  152.058   9.1669   68.204   7.4084   72.497   11.690   65.323   9.5773  154.887   13.967  149.229   11.877 5.658234 18.33388 
1 1 1  -43   15    3 o   43.421   13.703   0.8287   6.5018  -1.5475   10.431   2.3385   8.3147   43.183   19.787   43.659   18.962 -0.4762154 27.40538 
1 1 1  -43   15    4 o   43.361   13.723   0.1522   6.4885   3.3366   10.217  -2.0001   8.3999   47.756   20.875   38.966   17.818 8.789867 27.44554 
1 1 1  -43   15    5 o   65.158   15.310   15.579   6.6433   9.8368   10.729   19.149   8.4600   56.340   22.771   73.977   20.470 -17.63745 30.61938 
1 1 1  -43   15    6 o   55.075   15.153   8.4785   6.6104   14.867   10.144   3.7624   8.7151   63.984   23.010   46.165   19.722 17.81857 30.30573 
1 1 1  -43   15    7 o   72.889   13.053   18.443   6.8807  -0.4443   10.584   32.268   9.0552   44.450   20.199  101.328   16.538 -56.87800 26.10589 
1 1 1  -43   15    8 o   41.910   13.568  -1.7964   6.8019   0.4996   10.565  -3.4221   8.8896   45.239   20.405   38.581   17.888 6.657360 27.13571 
1 1 1  -43   15    9 o   54.481   17.752   3.0915   12.027   1.7491   18.663   4.0450   15.729   54.914   25.614   54.048   24.585 0.8653412 35.50368 
1 1 1  -43   15   10 o   52.505   17.327  -1.7940   11.622   11.547   18.990  -9.7838   14.696   61.183   27.500   43.827   21.087 17.35575 34.65415 
1 1 1  -43   15   11 o   73.331   23.447   20.825   10.498   20.825   10.498   0.0000   0.0000   73.331   23.447  ?   ?       ?      ? 
1 1 1  -43   15   12 o   51.973   14.787   5.7671   6.7662   15.824   10.400  -1.6127   8.9093   64.136   23.266   39.810   18.258 24.32650 29.57452 
1 1 1  -43   15   13 o  105.468   13.520   39.179   7.2267   30.280   11.039   45.853   9.5598   89.349   22.792  121.588   14.550 -32.23959 27.04030 
1 1 1  -43   15   14 o   41.798   13.560  -1.2374   6.8736   2.3028   10.544  -3.8537   9.0643   45.790   20.543   37.806   17.705 7.984241 27.11920 
1 1 1  -43   15   15 o   49.453   14.546   4.7053   6.8021   13.874   10.219  -2.5891   9.1147   60.040   22.813   38.865   18.052 21.17498 29.09138 
1 1 1  -43   15   16 o   31.963   11.120 -13.5536   6.6563 -16.5434   10.491 -11.5390   8.6117   32.628   16.137   31.297   15.305 1.331367 22.24044 
1 1 1  -43   16    1 o   47.732   13.708   4.5011   6.3946  -6.5693   9.8228   12.643   8.4241   37.007   17.653   58.456   20.975 -21.44889 27.41512 
1 1 1  -43   16    2 o   37.183   12.320  -4.9714   6.4754 -12.8095   10.055   0.5822   8.4640   33.635   16.467   40.730   18.328 -7.095638 24.63909 
1 1 1  -43   16    3 o   92.097   13.972   30.963   6.7532   25.235   10.649   34.816   8.7343   79.610   23.281  104.585   15.455 -24.97466 27.94366 
1 1 1  -43   16    4 o   35.432   12.056  -9.6125   6.6264  -1.8423   10.235 -15.2201   8.6946   41.366   19.184   29.498   14.607 11.86859 24.11189 
1 1 1  -43   16    5 o   39.860   13.083  -4.0450   6.7356   3.6488   10.382  -9.6370   8.8512   46.716   20.706   33.004   15.998 13.71196 26.16672 
1 1 1  -43   16    6 o   52.164   15.046   8.6628   6.8146   5.5949   10.272   11.075   9.1077   48.723   21.118   55.604   21.436 -6.880524 30.09117 
1 1 1  -43   16    7 o   34.276   11.815 -11.4632   6.8119  -6.7528   10.690 -14.6838   8.8391   38.460   18.365   30.092   14.869 8.367649 23.63013 
1 1 1  -43   16    8 o   71.293   20.767   23.821   12.689   41.532   20.917   13.509   15.961   83.192   32.370   59.393   26.023 23.79905 41.53306 
1 1 1  -43   16    9 o   59.784   18.664   13.874   11.778   11.135   19.799   15.374   14.652   58.474   26.964   61.094   25.815 -2.619202 37.32894 
1 1 1  -42    0    1 o  128.243   8.2284   46.338   7.9114   46.338   7.9114   46.338   7.9114  128.243   11.637  128.243   11.637 0.000000 0.000000 
1 1 1  -42    0    2 o  176.743   6.3807   86.008   8.5668   86.008   8.5668   86.008   8.5668  176.743   9.0236  176.743   9.0236 0.000000 0.000000 
1 1 1  -42    0    3 o   21.428   10.688  -7.7583   6.9862  -7.7583   6.9862  -7.7583   6.9862   21.428   15.115   21.428   15.115 0.000000 0.000000 
1 1 1  -42    0    4 o  203.518   5.9975  113.599   9.2909  113.599   9.2909  113.599   9.2909  203.518   8.4817  203.518   8.4817 0.000000 0.000000 
1 1 1  -42    0    5 o   54.821   16.618   12.208   7.1210   12.208   7.1210   12.208   7.1210   54.821   23.501   54.821   23.501 0.000000 0.000000 
1 1 1  -42    0    6 o   37.183   15.389   5.0417   7.3169   5.0417   7.3169   5.0417   7.3169   37.183   21.763   37.183   21.763 0.000000 0.000000 
1 1 1  -42    0    7 o   16.625   8.6068 -17.2258   6.9437 -17.2258   6.9437 -17.2258   6.9437   16.625   12.172   16.625   12.172 0.000000 0.000000 
1 1 1  -42    0    8 o  125.799   8.4454   44.720   7.9508   44.720   7.9508   44.720   7.9508  125.799   11.944  125.799   11.944 0.000000 0.000000 
1 1 1  -42    0    9 o   63.962   16.105   15.247   7.1767   15.247   7.1767   15.247   7.1767   63.962   22.775   63.962   22.775 0.000000 0.000000 
1 1 1  -42    0   10 o  133.208   8.3792   49.991   8.3745   49.991   8.3745   49.991   8.3745  133.208   11.850  133.208   11.850 0.000000 0.000000 
1 1 1  -42    0   13 o   32.408   14.998  -0.2023   9.2019  -0.2023   9.2019  -0.2023   9.2019   32.408   21.210   32.408   21.210 0.000000 0.000000 
1 1 1  -42    0   14 o   43.125   16.654   7.8542   7.8138   7.8542   7.8138   7.8542   7.8138   43.125   23.552   43.125   23.552 0.000000 0.000000 
1 1 1  -42    0   15 o   25.723   12.337  -3.1717   7.2632  -3.1717   7.2632  -3.1717   7.2632   25.723   17.447   25.723   17.447 0.000000 0.000000 
1 1 1  -42    0   16 o   34.082   14.754   3.3046   7.3455   3.3046   7.3455   3.3046   7.3455   34.082   20.865   34.082   20.865 0.000000 0.000000 
1 1 1  -42    0   17 o   55.840   16.678   12.635   7.1903   12.635   7.1903   12.635   7.1903   55.840   23.587   55.840   23.587 0.000000 0.000000 
1 1 1  -42    0   18 o   64.584   16.984   15.968   7.7948   15.968   7.7948   15.968   7.7948   64.584   24.019   64.584   24.019 0.000000 0.000000 
1 1 1  -42    0   19 o   29.189   13.423   0.0819   7.2035   0.0819   7.2035   0.0819   7.2035   29.189   18.983   29.189   18.983 0.000000 0.000000 
1 1 1  -42    0   20 o   39.126   15.726   6.1143   7.3139   6.1143   7.3139   6.1143   7.3139   39.126   22.241   39.126   22.241 0.000000 0.000000 
1 1 1  -42    0   21 o   26.229   12.549  -2.9025   7.4187  -2.9025   7.4187  -2.9025   7.4187   26.229   17.746   26.229   17.746 0.000000 0.000000 
1 1 1  -42    0   22 o   79.703   14.839   21.321   7.8088   21.321   7.8088   21.321   7.8088   79.703   20.985   79.703   20.985 0.000000 0.000000 
1 1 1  -42    0   23 o   61.868   16.997   15.095   7.6537   15.095   7.6537   15.095   7.6537   61.868   24.037   61.868   24.037 0.000000 0.000000 
1 1 1  -42    0   24 o   74.996   15.760   19.724   7.8599   19.724   7.8599   19.724   7.8599   74.996   22.288   74.996   22.288 0.000000 0.000000 
1 1 1  -42    0   25 o   69.872   16.855   18.194   8.0755   18.194   8.0755   18.194   8.0755   69.872   23.837   69.872   23.837 0.000000 0.000000 
1 1 1  -42    0   26 o   53.535   17.687   12.522   8.0731   12.522   8.0731   12.522   8.0731   53.535   25.013   53.535   25.013 0.000000 0.000000 
1 1 1  -42    0   27 o   48.111   17.333   10.459   8.0118   10.459   8.0118   10.459   8.0118   48.111   24.512   48.111   24.512 0.000000 0.000000 
1 1 1  -42    0   28 o   19.432   9.9664 -15.4068   8.0824 -15.4068   8.0824 -15.4068   8.0824   19.432   14.095   19.432   14.095 0.000000 0.000000 
1 1 1  -42    0   29 o   24.704   12.164  -6.3879   8.2288  -6.3879   8.2288  -6.3879   8.2288   24.704   17.202   24.704   17.202 0.000000 0.000000 
1 1 1  -42    0   30 o   24.832   12.290  -7.5803   8.7071  -7.5803   8.7071  -7.5803   8.7071   24.832   17.381   24.832   17.381 0.000000 0.000000 
1 1 1  -42    0   31 o   98.057   13.576   30.322   9.0582   30.322   9.0582   30.322   9.0582   98.057   19.199   98.057   19.199 0.000000 0.000000 
1 1 1  -42    0   32 o   22.062   11.206 -13.7336   9.0925 -13.7336   9.0925 -13.7336   9.0925   22.062   15.848   22.062   15.848 0.000000 0.000000 
1 1 1  -42    0   33 o   44.528   17.874   9.3293   9.4311   9.3293   9.4311   9.3293   9.4311   44.528   25.277   44.528   25.277 0.000000 0.000000 
1 1 1  -42    0   34 o   44.769   17.698   9.8585   9.0608   9.8585   9.0608   9.8585   9.0608   44.769   25.029   44.769   25.029 0.000000 0.000000 
1 1 1  -42    0   35 o   41.594   17.351   7.6690   9.4351   7.6690   9.4351   7.6690   9.4351   41.594   24.538   41.594   24.538 0.000000 0.000000 
1 1 1  -42    0   36 o   29.981   14.219  -1.3765   9.1416  -1.3765   9.1416  -1.3765   9.1416   29.981   20.109   29.981   20.109 0.000000 0.000000 
1 1 1  -42    0   37 o   36.435   16.120   4.6829   9.2410   4.6829   9.2410   4.6829   9.2410   36.435   22.797   36.435   22.797 0.000000 0.000000 
1 1 1  -42    0   38 o   31.549   15.479  -5.5495   13.020  -5.5495   13.020  -5.5495   13.020   31.549   21.891   31.549   21.891 0.000000 0.000000 
1 1 1  -42    1    1 o   64.014   13.513   12.503   5.0306   12.669   7.1575   12.340   7.0719   64.396   19.155   63.632   19.066 0.7641335 27.02626 
1 1 1  -42    1    2 o  140.183   7.5650   54.849   5.7239   56.194   7.9749   53.419   8.2204  142.083   10.387  138.284   11.001 3.799026 15.12995 
1 1 1  -42    1    3 o   45.210   12.534   2.7095   4.8438  -2.6769   6.8061   8.2375   6.8950   36.097   16.321   54.322   19.026 -18.22459 25.06742 
1 1 1  -42    1    4 o  117.538   8.6630   38.986   5.4423   32.163   7.5931   46.195   7.8044  106.557   13.187  128.518   11.238 -21.96054 17.32600 
1 1 1  -42    1    5 o  120.676   8.4771   40.920   5.5275   41.056   7.7846   40.782   7.8500  120.907   11.915  120.446   12.061 0.4610214 16.95415 
1 1 1  -42    1    6 o   61.039   13.741   11.181   5.1046   10.733   7.2041   11.634   7.2342   60.018   19.448   62.061   19.417 -2.042324 27.48176 
1 1 1  -42    1    7 o  134.842   7.5555   50.737   5.4982   49.518   7.9144   51.875   7.6440  133.150   11.000  136.533   10.361 -3.383698 15.11105 
1 1 1  -42    1    8 o   88.801   11.353   23.387   5.2465   23.848   7.4998   22.944   7.3419   89.673   16.068   87.928   16.043 1.744400 22.70605 
1 1 1  -42    1    9 o   85.738   11.660   21.592   5.2442   29.969   7.7736   14.596   7.1043  102.510   14.034   68.966   18.626 33.54360 23.32065 
1 1 1  -42    1   10 o   53.098   15.179   3.5811   7.0662  -2.6396   9.5160   11.227   10.550   43.076   19.404   63.121   23.347 -20.04458 30.35780 
1 1 1  -42    1   11 o   55.091   23.038   4.7703   11.479   0.0000   0.0000   4.7703   11.479  ?   ?    55.091   23.038      ?      ? 
1 1 1  -42    1   13 o   39.103   13.321 -12.9350   7.6611 -10.5721   13.259 -14.1194   9.3867   44.571   21.041   33.634   16.343 10.93725 26.64204 
1 1 1  -42    1   14 o   27.700   9.6782 -15.6988   5.3037 -12.7238   7.4469 -18.7612   7.5555   29.205   14.271   26.195   13.077 3.010342 19.35639 
1 1 1  -42    1   15 o   44.337   12.973   2.3174   5.1668   5.0549   7.3213  -0.3988   7.2927   48.530   19.074   40.145   17.590 8.384750 25.94622 
1 1 1  -42    1   16 o   51.039   13.290   6.0564   5.1212   10.576   7.1955   1.4165   7.2904   59.447   19.446   42.631   18.121 16.81578 26.58034 
1 1 1  -42    1   17 o  123.549   8.3709   42.927   5.5752   47.001   8.0052   39.090   7.7691  129.396   11.449  117.701   12.215 11.69531 16.74189 
1 1 1  -42    1   18 o   50.985   13.592   6.1963   5.2090   3.5186   7.3593   8.8848   7.3740   46.020   18.763   55.950   19.671 -9.929684 27.18496 
1 1 1  -42    1   19 o   78.771   13.140   19.193   5.5069   20.455   7.6324   17.823   7.9536   81.892   17.759   75.651   19.372 6.240913 26.28048 
1 1 1  -42    1   20 o   92.672   11.516   25.650   5.5696   30.237   7.8606   21.025   7.8926  102.611   14.177   82.733   18.153 19.87785 23.03289 
1 1 1  -42    1   21 o   76.610   13.436   18.577   5.6890   12.915   8.1347   23.996   7.9592   64.375   20.646   88.846   17.200 -24.47081 26.87158 
1 1 1  -42    1   22 o   67.481   13.913   14.272   5.6936   8.4564   8.1399   19.843   7.9668   55.342   20.500   79.621   18.815 -24.27862 27.82547 
1 1 1  -42    1   23 o   78.739   12.827   19.526   5.6764   11.297   8.1409   27.312   7.9190   60.761   20.701   96.718   15.152 -35.95688 25.65369 
1 1 1  -42    1   24 o   96.360   11.763   28.544   5.8023   20.423   8.3208   36.231   8.0953   80.387   19.381  112.332   13.336 -31.94519 23.52666 
1 1 1  -42    1   25 o   30.239   10.404 -12.0605   5.4114  -9.0391   7.8459 -14.8019   7.4734   32.653   15.631   27.825   13.735 4.828255 20.80802 
1 1 1  -42    1   26 o   46.471   12.899   2.3868   5.5137  -7.0609   8.1350   10.414   7.4988   34.835   16.455   58.108   19.867 -23.27365 25.79714 
1 1 1  -42    1   27 o   54.597   14.480   8.3401   5.8431   11.251   8.5161   5.7512   8.0318   59.678   21.123   49.516   19.811 10.16198 28.95959 
1 1 1  -42    1   28 o   45.967   13.738   3.0826   5.8763   4.1289   8.4364   2.0965   8.1898   47.587   19.812   44.347   19.037 3.240509 27.47591 
1 1 1  -42    1   29 o   44.303   13.315   1.1260   5.8705  -4.4958   8.4421   6.3897   8.1688   37.721   17.469   50.885   20.100 -13.16308 26.63020 
1 1 1  -42    1   30 o   57.783   14.748   9.3499   6.2514   3.7500   8.8069   15.037   8.8752   48.015   20.136   67.551   21.554 -19.53649 29.49659 
1 1 1  -42    1   31 o   46.350   19.626   2.9056   8.4973   2.9056   8.4973   0.0000   0.0000   46.350   19.626  ?   ?       ?      ? 
1 1 1  -42    1   32 o   52.262   14.397   6.1479   6.3170  -0.5261   9.1460   12.236   8.7353   43.074   19.242   61.450   21.421 -18.37655 28.79417 
1 1 1  -42    1   33 f   48.100   14.176   3.8097   6.4654  -2.3919   9.0585   10.250   9.2309   39.962   18.358   56.238   21.607 -16.27516 28.35255 
1 1 1  -42    1   34 o   44.772   13.777   1.3241   6.6272   8.4784   9.3300  -5.9614   9.4151   52.458   21.223   37.087   17.574 15.37130 27.55443 
1 1 1  -42    1   35 o  167.374   8.2160   81.709   7.4307   81.518   10.479   81.903   10.539  167.199   11.598  167.548   11.640 -0.3498383 16.43193 
1 1 1  -42    1   36 o   54.692   15.410   9.0484   6.8560   7.7384   9.5497   10.442   9.8489   52.591   21.400   56.793   22.180 -4.201756 30.82096 
1 1 1  -42    1   37 o   72.239   16.426   22.239   8.1390   27.350   9.8608   11.315   14.416   86.560   21.241   57.919   25.061 28.64129 32.85167 
1 1 1  -42    2    1 o   64.836   13.352   12.797   4.9870   14.719   7.1884   11.013   6.9244   69.183   18.757   60.489   19.009 8.693180 26.70498 
1 1 1  -42    2    2 f  115.188   8.6776   37.726   5.3025   45.885   7.5238   29.675   7.4743  128.195   10.861  102.182   13.536 26.01265 17.35520 
1 1 1  -42    2    3 o  140.313   7.4522   54.919   5.6432   56.706   7.8806   53.037   8.0848  142.789   10.214  137.837   10.855 4.951218 14.90435 
1 1 1  -42    2    4 o   53.582   12.799   7.0850   4.9464   13.465   6.9272   0.4478   7.0654   66.342   18.583   40.823   17.604 25.51861 25.59734 
1 1 1  -42    2    5 o  148.636   7.2315   61.657   5.7810   55.396   8.2209   67.782   8.1309  140.901   10.797  156.370   9.6227 -15.46881 14.46300 
1 1 1  -42    2    6 o   37.563   11.952  -2.6903   5.1517  -5.2150   7.4231  -0.3444   7.1554   35.151   16.314   39.975   17.472 -4.823711 23.90447 
1 1 1  -42    2    7 o  119.635   8.5029   40.635   5.4345   34.981   7.8518   45.833   7.5295  111.141   13.074  128.128   10.875 -16.98708 17.00576 
1 1 1  -42    2    8 o   79.163   12.320   18.964   5.2905   13.192   7.4910   24.708   7.4728   65.571   19.617   92.755   14.909 -27.18423 24.63992 
1 1 1  -42    2    9 o   67.115   14.665   12.098   7.0128   24.212   9.8313  -0.4507   10.006   87.788   21.006   46.443   20.469 41.34462 29.32969 
1 1 1  -42    2   10 o   99.104   14.066   30.436   7.3613   37.590   10.326   23.041   10.498  113.415   16.848   84.792   22.528 28.62370 28.13147 
1 1 1  -42    2   11 o   46.938   14.311  -1.8591   7.1595   7.2207   10.100 -11.0293   10.150   56.335   22.319   37.541   17.918 18.79396 28.62200 
1 1 1  -42    2   12 o   66.427   23.831   13.203   10.874   0.0000   0.0000   13.203   10.874  ?   ?    66.427   23.831      ?      ? 
1 1 1  -42    2   13 o   59.720   16.368   8.7065   7.9259   0.9140   12.890   13.444   10.050   53.040   23.309   66.401   22.987 -13.36112 32.73674 
1 1 1  -42    2   14 o   38.465   12.617  -5.2589   5.8224  -6.1918   7.1021  -3.3468   10.168   33.207   15.590   43.722   19.841 -10.51455 25.23310 
1 1 1  -42    2   15 o   69.225   13.525   14.848   5.2277   14.916   7.3980   14.780   7.3882   69.382   19.119   69.068   19.136 0.3135681 27.05075 
1 1 1  -42    2   16 o  178.088   6.5955   88.103   6.3286   84.784   9.1929   91.094   8.7255  174.689   9.7386  181.486   8.8973 -6.797028 13.19101 
1 1 1  -42    2   17 o   37.637   12.078  -3.0574   5.3311  -3.4088   7.4982  -2.6981   7.5811   37.134   16.924   38.139   17.237 -1.004498 24.15600 
1 1 1  -42    2   18 o   58.823   13.812   10.036   5.3070   6.3076   7.5485   13.680   7.4626   51.143   19.565   66.503   19.501 -15.36045 27.62396 
1 1 1  -42    2   19 o   49.264   13.737   5.1208   5.4248   3.5453   7.7454   6.6379   7.6003   46.769   19.179   51.759   19.672 -4.989582 27.47462 
1 1 1  -42    2   20 o   47.413   13.418   4.3964   5.2350   3.2293   7.4798   5.5171   7.3294   45.632   18.796   49.193   19.156 -3.561714 26.83695 
1 1 1  -42    2   21 o  115.078   9.4181   37.692   5.8077   44.817   8.5337   31.545   7.9266  125.499   12.584  104.657   14.016 20.84278 18.83619 
1 1 1  -42    2   22 o  105.177   10.368   32.225   5.8682   29.922   8.4474   34.373   8.1580  101.126   15.459  109.228   13.822 -8.102242 20.73670 
1 1 1  -42    2   23 o   43.053   13.149   0.9795   5.5814   1.1650   8.1633   0.8166   7.6485   43.854   18.917   42.253   18.268 1.600906 26.29804 
1 1 1  -42    2   24 o   73.808   11.903   16.840   5.7607   1.0779   8.3788   30.971   7.9332   44.180   19.111  103.435   14.194 -59.25547 23.80528 
1 1 1  -42    2   25 o   51.296   13.858   5.9411   5.6095   10.737   8.0338   1.3788   7.8359   59.328   20.551   43.265   18.598 16.06295 27.71669 
1 1 1  -42    2   26 o   41.881   12.975   0.1044   5.6673  -2.2902   8.0639   2.4415   7.9666   39.091   17.712   44.671   18.964 -5.579731 25.94906 
1 1 1  -42    2   27 o   61.747   13.726   11.283   5.8636   20.148   8.2859   2.3916   8.2988   78.525   19.591   44.970   19.230 33.55455 27.45181 
1 1 1  -42    2   28 f   51.442   13.832   5.1299   5.9968   13.416   8.4881  -3.1271   8.4734   63.891   21.131   38.993   17.854 24.89797 27.66410 
1 1 1  -42    2   29 o  165.978   7.9176   78.404   7.0903   73.212   9.9793   83.697   10.076  160.175   11.530  171.781   10.855 -11.60587 15.83526 
1 1 1  -42    2   30 o   50.051   14.303   4.7294   6.2115   0.1761   8.7859   9.2797   8.7829   43.478   19.170   56.624   21.231 -13.14606 28.60518 
1 1 1  -42    2   31 o   41.271   18.639  -1.9371   8.8464  -1.9371   8.8464   0.0000   0.0000   41.271   18.639  ?   ?       ?      ? 
1 1 1  -42    2   32 o   61.851   15.176   12.188   6.3860   7.9102   8.8860   16.757   9.1836   53.700   21.041   70.003   21.874 -16.30349 30.35136 
1 1 1  -42    2   33 o   79.363   14.644   22.275   6.3804   25.029   9.0899   19.600   8.9581   84.966   20.111   73.760   21.291 11.20572 29.28714 
1 1 1  -42    2   34 o   67.411   13.705   14.464   6.4861   1.3934   8.8976   29.286   9.4750   42.910   19.087   91.912   19.672 -49.00186 27.40941 
1 1 1  -42    2   35 f   49.701   14.508   4.9669   6.5852  -0.3929   9.1539   10.716   9.4802   42.183   19.014   57.219   21.917 -15.03566 29.01545 
1 1 1  -42    2   36 o   42.633   14.192  -5.0448   7.5955  -7.4941   9.1108   0.5367   13.754   35.741   17.036   49.524   22.702 -13.78354 28.38358 
1 1 1  -42    2   37 o   70.213   15.795   20.862   7.9279   27.364   9.5908   6.8356   14.087   87.024   20.697   53.403   23.866 33.62085 31.59069 
1 1 1  -42    3    1 o  107.397   9.1832   32.423   5.2789   39.145   7.8159   26.785   7.1585  117.818   12.277   96.976   13.660 20.84220 18.36633 
1 1 1  -42    3    2 o  124.454   8.2531   43.179   5.4675   54.218   8.0882   33.891   7.4194  139.361   10.741  109.547   12.534 29.81387 16.50621 
1 1 1  -42    3    3 o   32.367   10.733  -5.9316   4.7372  -4.7485   6.8260  -7.0309   6.5796   33.841   15.684   30.893   14.654 2.947948 21.46501 
1 1 1  -42    3    4 o  111.951   8.5993   35.224   5.1918   38.429   7.5065   32.286   7.1885  116.927   11.881  106.976   12.436 9.950798 17.19859 
1 1 1  -42    3    5 o   54.203   13.207   7.7967   4.9410   12.106   7.0147   3.5528   6.9609   63.052   19.010   45.355   18.338 17.69653 26.41325 
1 1 1  -42    3    6 o  110.752   9.0330   34.791   5.3778   38.638   7.5970   30.926   7.6138  117.201   11.996  104.303   13.509 12.89737 18.06608 
1 1 1  -42    3    7 o   39.601   12.061  -0.9467   4.9523  -6.0474   7.1009   3.8839   6.9103   33.390   15.647   45.811   18.359 -12.42105 24.12229 
1 1 1  -42    3    8 o   97.387   14.009   29.068   7.0737   27.635   9.3911   30.946   10.754   95.061   18.947   99.713   20.639 -4.651901 28.01741 
1 1 1  -42    3    9 o   89.718   14.566   25.055   6.9196   21.944   9.4802   28.604   10.123   83.413   21.036   96.022   20.152 -12.60907 29.13135 
1 1 1  -42    3   10 f   80.014   15.551   20.303   6.9713   17.212   9.6092   23.739   10.129   73.618   22.262   86.409   21.718 -12.79115 31.10129 
1 1 1  -42    3   11 o   65.324   13.867   13.138   5.2667   13.024   7.9378   13.227   7.0393   65.053   20.338   65.596   18.856 -0.5423965 27.73365 
1 1 1  -42    3   12 o   47.791   13.963   2.6244   6.3191 -11.0811   12.130   7.7294   7.4030   41.919   19.888   53.663   19.604 -11.74468 27.92588 
1 1 1  -42    3   13 o   70.508   17.151   14.413   8.1306   22.545   12.396   8.2725   10.771   82.420   25.357   58.597   23.102 23.82251 34.30267 
1 1 1  -42    3   14 o   64.680   17.075   10.237   7.9300   18.820   13.163   5.3468   9.9354   76.059   26.308   53.302   21.775 22.75753 34.14998 
1 1 1  -42    3   15 o   76.792   13.108   18.089   5.3968   21.053   7.8450   15.427   7.4360   83.028   18.004   70.557   19.055 12.47054 26.21570 
1 1 1  -42    3   16 o   99.565   10.050   28.411   5.4026   27.443   7.6928   29.352   7.5892   97.750   14.564  101.380   13.854 -3.629150 20.10039 
1 1 1  -42    3   17 o   44.041   12.846   1.4554   5.2189  -3.3026   7.2667   6.5240   7.5001   36.604   16.674   51.479   19.548 -14.87479 25.69296 
1 1 1  -42    3   18 o   65.104   14.070   13.091   5.4021   13.017   7.9201   13.155   7.3873   64.939   20.317   65.270   19.470 -0.3314209 28.14020 
1 1 1  -42    3   19 o  108.302   9.9975   34.197   5.7412   28.945   8.4662   38.669   7.8117   99.731   15.710  116.873   12.369 -17.14257 19.99506 
1 1 1  -42    3   20 o   83.932   12.383   21.651   5.4321   19.439   7.8209   23.712   7.5505   79.076   18.612   88.789   16.339 -9.712173 24.76680 
1 1 1  -42    3   21 o   97.035   11.307   28.594   5.6170   21.557   8.1056   35.096   7.7911   83.266   18.496  110.805   13.012 -27.53922 22.61443 
1 1 1  -42    3   22 o   60.541   14.402   11.240   5.6021   9.8323   8.1673   12.490   7.6985   57.889   20.665   63.192   20.065 -5.302876 28.80398 
1 1 1  -42    3   23 o   78.705   13.626   19.429   5.8005   23.919   8.4654   15.455   7.9640   87.740   18.441   69.670   20.064 18.06929 27.25146 
1 1 1  -42    3   24 o  112.985   9.8058   36.812   5.9776   38.099   8.7478   35.685   8.1871  114.702   14.114  111.267   13.617 3.435417 19.61156 
1 1 1  -42    3   25 o   43.695   13.163   0.4014   5.8132  -5.7648   8.3673   6.1548   8.0823   36.616   17.103   50.773   20.013 -14.15768 26.32564 
1 1 1  -42    3   26 o   51.987   14.084   6.1919   5.8408   11.944   8.4922   1.0282   8.0462   61.156   21.132   42.818   18.625 18.33775 28.16821 
1 1 1  -42    3   27 o   70.976   13.299   15.671   6.0237   27.854   8.6959   4.4324   8.3522   94.080   17.756   47.873   19.804 46.20712 26.59856 
1 1 1  -42    3   28 o  105.982   11.289   34.307   6.2096   28.933   8.9379   39.322   8.6334   96.018   17.884  115.946   13.780 -19.92735 22.57733 
1 1 1  -42    3   29 o   36.424   12.145  -7.0584   6.2193  -7.9998   8.9279  -6.1710   8.6687   36.004   17.076   36.845   17.274 -0.8413773 24.28909 
1 1 1  -42    3   30 o  176.179   7.7778   87.809   7.3963   92.037   10.774   84.040   10.172  180.130   11.069  172.229   10.930 7.900925 15.55561 
1 1 1  -42    3   31 o   56.969   13.935   6.1797   6.5428   19.616   9.3113  -6.9245   9.1956   76.491   21.586   37.446   17.630 39.04507 27.87068 
1 1 1  -42    3   32 o   84.759   14.664   24.345   6.6611   23.802   9.3539   24.903   9.4878   83.741   20.772   85.777   20.705 -2.036583 29.32894 
1 1 1  -42    3   33 o   63.176   15.676   14.759   6.6442   13.356   9.3889   16.166   9.4037   60.615   22.088   65.737   22.249 -5.121868 31.35132 
1 1 1  -42    3   34 o   59.381   15.301   12.059   6.6821   6.6742   9.4481   17.448   9.4517   50.408   20.975   68.353   22.284 -17.94535 30.60253 
1 1 1  -42    3   35 o   41.951   13.539  -1.6529   6.8307  -2.9346   9.6929  -0.3883   9.6275   40.815   18.837   43.087   19.453 -2.272022 27.07843 
1 1 1  -42    3   36 o   51.257   15.555   5.9292   7.9476   9.6254   9.8355  -1.0250   13.491   54.910   21.939   47.604   22.058 7.306824 31.11088 
1 1 1  -42    3   37 o   61.729   16.644   15.186   7.7675   12.649   13.019   16.589   9.6789   58.364   24.480   65.093   22.556 -6.728851 33.28749 
1 1 1  -42    4    1 o   66.750   13.289   13.791   5.0188   12.254   7.3960   15.104   6.8327   63.297   19.605   70.203   17.943 -6.906136 26.57714 
1 1 1  -42    4    2 o   54.710   11.934   5.6093   4.9400   17.567   7.2899  -4.5442   6.7175   75.727   18.067   33.693   15.596 42.03387 23.86746 
1 1 1  -42    4    3 o   48.912   13.039   4.5671   5.0178   10.137   7.3444  -0.3091   6.8716   58.624   19.664   39.200   17.128 19.42389 26.07713 
1 1 1  -42    4    4 o  106.876   9.3705   32.613   5.2876   41.375   7.6290   24.514   7.3352  121.370   11.632   92.381   14.694 28.98904 18.74098 
1 1 1  -42    4    5 o   35.466   11.400  -3.4148   4.8364  -6.0271   6.9226  -0.9238   6.7599   32.851   15.412   38.080   16.802 -5.228825 22.79986 
1 1 1  -42    4    6 o  134.241   7.8255   50.886   5.6169   45.948   8.2816   55.092   7.6436  127.748   11.997  140.733   10.051 -12.98452 15.65093 
1 1 1  -42    4    7 o   54.436   15.014   6.8260   6.4713   9.2072   8.7512   3.9527   9.6131   57.933   21.292   50.939   21.174 6.993645 30.02776 
1 1 1  -42    4    8 o  116.224   11.432   38.837   7.1290   33.288   9.5599   45.788   10.700  106.772   16.569  125.675   15.756 -18.90292 22.86463 
1 1 1  -42    4    9 o   60.195   15.723   9.8838   6.8643   6.9257   9.7774   12.759   9.6393   55.394   21.956   64.996   22.511 -9.601929 31.44514 
1 1 1  -42    4   10 o  135.242   7.9883   49.997   5.7634   60.733   9.0407   42.648   7.4804  147.131   11.371  123.353   11.222 23.77826 15.97655 
1 1 1  -42    4   11 o   92.550   11.025   24.793   5.3630   29.057   8.0838   21.440   7.1676  100.436   14.895   84.664   16.258 15.77280 22.04952 
1 1 1  -42    4   12 o   35.936   12.323  -9.5897   6.0836 -16.8716   13.201  -7.6263   6.8549   40.692   19.679   31.180   14.839 9.511553 24.64671 
1 1 1  -42    4   13 o   75.863   17.164   18.754   7.9140   17.088   12.730   19.804   10.104   73.276   25.838   78.450   22.602 -5.173462 34.32823 
1 1 1  -42    4   14 o   58.983   16.447   8.3614   7.8292   3.6802   12.717   11.218   9.9351   55.561   23.783   62.405   22.724 -6.843948 32.89384 
1 1 1  -42    4   15 o   39.696   12.341  -0.7211   5.1303  -1.8267   7.2402   0.3937   7.2706   38.231   17.096   41.160   17.804 -2.929790 24.68290 
1 1 1  -42    4   16 f   43.445   12.971   1.7845   5.2116   2.3943   7.6650   1.2601   7.1073   44.913   18.808   41.977   17.869 2.935905 25.94264 
1 1 1  -42    4   17 o   99.086   10.945   29.071   5.5482   21.142   7.7459   37.425   7.9509   83.292   17.753  114.880   12.808 -31.58842 21.89078 
1 1 1  -42    4   18 o   53.353   13.670   6.9430   5.4763   1.2290   7.9160   12.188   7.5839   43.718   18.740   62.987   19.906 -19.26865 27.33937 
1 1 1  -42    4   19 o   76.877   12.537   18.548   5.4548   9.9962   7.9046   26.323   7.5370   58.315   20.374   95.438   14.615 -37.12304 25.07406 
1 1 1  -42    4   20 o   58.214   13.107   8.6384   5.5165  -0.7812   7.8093   18.021   7.7937   40.681   17.998   75.747   19.057 -35.06661 26.21302 
1 1 1  -42    4   21 f   39.527   12.347  -2.6382   5.5625  -9.8941   8.2210   3.4888   7.5543   33.116   15.892   45.938   18.902 -12.82213 24.69461 
1 1 1  -42    4   22 o   62.445   13.627   11.392   5.7202   3.1151   8.1753   19.331   8.0067   46.553   19.453   78.336   19.090 -31.78287 27.25482 
1 1 1  -42    4   23 o   46.188   13.642   2.1246   5.8568   6.6960   8.4934  -2.0198   8.0870   52.561   20.578   39.816   17.916 12.74488 27.28443 
1 1 1  -42    4   24 o   75.645   14.541   18.486   6.0601   18.881   9.2461   18.188   8.0238   75.841   21.548   75.449   19.529 0.3916245 29.08116 
1 1 1  -42    4   25 o  105.135   11.490   32.997   6.1639   45.313   9.2453   23.143   8.2700  124.747   13.715   85.523   18.438 39.22434 22.97961 
1 1 1  -42    4   26 o   53.079   14.292   7.1245   5.7518   11.730   8.7992   3.6887   7.6003   60.611   21.470   45.547   18.871 15.06413 28.58419 
1 1 1  -42    4   27 o   43.906   13.442   1.2100   5.9788  -2.0398   8.7348   4.0747   8.2010   40.667   18.429   47.145   19.573 -6.478119 26.88418 
1 1 1  -42    4   28 o  133.003   9.4525   51.182   6.7744   56.697   9.9358   46.391   9.2608  139.819   13.151  126.187   13.581 13.63181 18.90496 
1 1 1  -42    4   29 o  105.390   12.364   35.024   6.6179   25.372   9.5978   43.774   9.1375   88.200   20.524  122.581   13.795 -34.38085 24.72881 
1 1 1  -42    4   30 o  100.989   12.862   31.387   6.8334   36.892   10.073   26.694   9.3005  110.606   16.854   91.372   19.435 19.23487 25.72474 
1 1 1  -42    4   31 o   47.582   14.047   2.4824   6.3825  -3.8100   8.9770   8.9147   9.0762   39.441   18.176   55.723   21.421 -16.28224 28.09347 
1 1 1  -42    4   32 o   61.993   15.532   13.376   6.5095   15.212   9.5832   11.804   8.8697   65.029   22.450   58.957   21.471 6.071537 31.06424 
1 1 1  -42    4   33 o   46.970   14.200   3.7160   6.6536  -1.6840   9.4716   8.9768   9.3487   40.740   18.736   53.200   21.342 -12.46006 28.39902 
1 1 1  -42    4   34 o   64.356   15.198   13.808   6.9363   23.233   9.9027   4.7302   9.7187   80.011   22.150   48.701   20.817 31.31022 30.39655 
1 1 1  -42    4   35 o   65.642   17.278   14.966   7.8889   11.715   9.7595   21.095   13.400   58.887   22.314   72.397   26.386 -13.51011 34.55639 
1 1 1  -42    4   36 o   72.321   15.882   20.004   6.8772   21.094   9.5463   18.828   9.9158   74.824   22.089   69.817   22.827 5.007790 31.76484 
1 1 1  -42    4   37 o   59.643   15.591   5.5144   7.6368   30.541   13.079  -7.4335   9.4072   83.674   26.096   35.613   17.066 48.06066 31.18125 
1 1 1  -42    5    1 o  100.308   9.5646   28.444   5.1628   32.070   7.6852   25.461   6.9696  106.137   13.400   94.479   13.652 11.65831 19.12918 
1 1 1  -42    5    2 o  156.959   6.9378   68.221   5.8522   70.849   8.8107   66.147   7.8285  159.465   10.225  154.453   9.3799 5.011871 13.87551 
1 1 1  -42    5    3 o  115.020   8.9659   37.799   5.5116   34.033   8.1232   41.011   7.5029  109.191   13.767  120.849   11.489 -11.65759 17.93177 
1 1 1  -42    5    4 o   57.244   13.920   9.4549   5.2871   7.1551   7.7005   11.506   7.2722   52.923   19.872   61.566   19.497 -8.642349 27.83953 
1 1 1  -42    5    5 o  128.020   9.3660   45.639   6.4107   39.790   8.3693   53.941   9.9720  118.377   13.084  137.663   13.405 -19.28641 18.73207 
1 1 1  -42    5    6 o  115.978   11.168   39.005   6.9751   38.604   9.4686   39.482   10.314  115.645   15.152  116.312   16.411 -0.6662674 22.33578 
1 1 1  -42    5    7 o   52.851   14.128   4.2327   6.5005   13.691   8.8162  -7.0360   9.6228   66.495   21.511   39.206   18.322 27.28951 28.25614 
1 1 1  -42    5    8 o   82.659   15.336   21.604   6.9593   25.360   10.238   18.378   9.4885   89.399   21.464   75.918   21.912 13.48143 30.67290 
1 1 1  -42    5    9 o  153.350   7.6279   65.332   6.2054   67.930   9.8258   63.608   8.0035  155.415   11.700  151.284   9.7904 4.131378 15.25589 
1 1 1  -42    5   10 o   94.745   11.721   25.026   5.6650   40.197   9.1498   15.595   7.2140  118.405   14.301   71.085   18.575 47.32029 23.44206 
1 1 1  -42    5   11 o  157.670   7.3108   69.704   6.1507   66.529   9.3366   72.139   8.1755  154.047   11.216  161.293   9.3801 -7.245895 14.62161 
1 1 1  -42    5   12 o   67.053   13.748   14.283   5.4104   10.057   8.5570   17.097   6.9834   59.254   21.153   74.852   17.567 -15.59766 27.49615 
1 1 1  -42    5   13 o  117.130   14.722   43.053   8.6986   39.077   14.101   45.495   11.052  109.376   24.470  124.883   16.378 -15.50686 29.44495 
1 1 1  -42    5   14 o   67.289   16.217   7.9084   8.1240   27.973   13.246  -4.1892   10.286   91.367   25.733   43.212   19.743 48.15490 32.43430 
1 1 1  -42    5   15 o   55.571   13.939   8.1651   5.5215   3.5463   7.8930   12.591   7.7268   47.112   19.345   64.031   20.073 -16.91882 27.87794 
1 1 1  -42    5   16 o  104.287   9.8087   31.145   5.5170   30.299   7.9753   31.921   7.6399  102.716   14.369  105.858   13.356 -3.141556 19.61743 
1 1 1  -42    5   17 o   94.545   11.327   26.535   5.6038   25.107   8.3273   27.716   7.5758   90.903   17.589   98.188   14.279 -7.284943 22.65468 
1 1 1  -42    5   18 o   65.364   13.127   12.992   5.5351   3.8699   8.0684   21.102   7.6077   47.680   19.567   83.049   17.504 -35.36939 26.25357 
1 1 1  -42    5   19 o   48.995   13.578   5.2341   5.3341   2.5960   7.7362   7.6249   7.3647   45.016   18.875   52.974   19.523 -7.958309 27.15547 
1 1 1  -42    5   20 o   56.559   13.996   9.1844   5.5562   4.4267   8.3496   12.966   7.4436   48.831   19.956   64.287   19.628 -15.45568 27.99121 
1 1 1  -42    5   21 o   96.654   11.968   28.808   5.8728   42.099   8.4784   16.549   8.1427  121.311   12.934   71.996   20.140 49.31434 23.93555 
1 1 1  -42    5   22 o   57.969   14.725   9.8545   5.8637   9.3769   8.7879   10.238   7.8725   57.487   21.299   58.451   20.338 -0.9630890 29.44980 
1 1 1  -42    5   23 o   66.852   14.477   14.359   5.7388   13.133   8.5001   15.387   7.7794   64.321   21.140   69.384   19.783 -5.062798 28.95319 
1 1 1  -42    5   24 o   41.069   12.927  -1.1361   5.8839  -4.9520   8.9628   1.7538   7.8000   38.684   17.945   43.453   18.613 -4.768780 25.85468 
1 1 1  -42    5   25 o   91.521   13.038   26.585   6.2049   26.798   9.1842   26.406   8.4161   91.275   19.228   91.767   17.613 -0.4917374 26.07520 
1 1 1  -42    5   26 o   52.871   14.321   6.7615   6.0245   12.368   8.6963   1.5882   8.3540   61.744   21.382   43.998   19.058 17.74585 28.64204 
1 1 1  -42    5   27 f  116.861   10.460   40.413   6.5951   39.238   9.4831   41.514   9.1783  114.879   15.276  118.843   14.292 -3.963295 20.91969 
1 1 1  -42    5   28 o   48.420   14.279   3.8237   6.2333   6.2416   9.1497   1.7296   8.5150   52.061   21.032   44.780   19.318 7.280357 28.55812 
1 1 1  -42    5   29 o  149.034   9.0476   63.753   7.2108   76.621   10.539   52.426   9.8877  163.745   11.910  134.322   13.623 29.42314 18.09515 
1 1 1  -42    5   30 o   36.341   12.121 -11.8888   6.4862   0.4827   9.5065 -22.6643   8.8722   45.098   19.910   27.583   13.828 17.51509 24.24115 
1 1 1  -42    5   31 o   99.272   13.054   32.330   6.6933   25.878   9.9743   37.615   9.0278   86.780   21.404  111.763   14.948 -24.98329 26.10705 
1 1 1  -42    5   32 o   39.214   12.850  -2.9662   6.4483  -1.6496   9.5283  -4.0788   8.7588   41.039   18.843   37.389   17.476 3.649426 25.69970 
1 1 1  -42    5   33 o   99.428   13.574   33.510   7.0883   41.949   10.177   25.558   9.8786  115.015   16.374   83.842   21.653 31.17249 27.14736 
1 1 1  -42    5   34 o   81.989   17.136   25.804   8.0858   26.867   10.049   23.851   13.618   87.442   21.433   76.535   26.743 10.90755 34.27163 
1 1 1  -42    5   35 o   57.077   14.733   9.2157   6.8593  -1.3727   9.8200   19.304   9.5853   42.042   19.240   72.112   22.317 -30.06942 29.46517 
1 1 1  -42    5   36 o   50.678   15.127   6.8301   7.4630  -0.8980   12.624   10.982   9.2531   45.638   21.213   55.717   21.571 -10.07981 30.25390 
1 1 1  -42    6    1 o  104.127   9.4334   30.680   5.2834   32.558   7.9393   29.186   7.0783  106.807   13.756  101.447   12.912 5.359909 18.86679 
1 1 1  -42    6    2 o   57.735   13.756   9.4165   5.1135   12.660   7.7504   6.9162   6.8048   64.195   20.100   51.276   18.786 12.91919 27.51245 
1 1 1  -42    6    3 o  137.730   7.7224   52.091   5.6909   60.760   8.8272   45.924   7.4446  147.279   11.092  128.180   10.748 19.09912 15.44489 
1 1 1  -42    6    4 o   52.154   14.308   3.8407   6.4100   12.606   9.2138  -4.3806   8.9234   64.466   22.022   39.842   18.272 24.62373 28.61580 
1 1 1  -42    6    5 o  150.932   9.1669   65.056   7.4208   58.874   10.776   70.631   10.234  143.531   13.894  158.333   11.961 -14.80205 18.33373 
1 1 1  -42    6    6 o   47.901   13.707   1.4151   6.1190   9.8423   8.7124  -6.7883   8.5959   58.974   21.310   36.828   17.245 22.14669 27.41319 
1 1 1  -42    6    7 o   40.646   12.512  -3.9340   5.2330   6.0676   8.8036  -9.3987   6.5075   52.629   20.842   28.663   13.851 23.96564 25.02479 
1 1 1  -42    6    8 o   40.086   12.270  -0.5998   5.1263  -5.8023   7.7887   3.3763   6.8091   35.536   16.566   44.636   18.105 -9.099514 24.54021 
1 1 1  -42    6    9 o  148.346   7.5629   60.540   6.0084   68.783   9.2863   54.605   7.8802  156.775   10.962  139.917   10.423 16.85748 15.12584 
1 1 1  -42    6   10 o   46.695   13.386   3.0667   5.2709   6.9890   8.2271   0.3358   6.8648   53.340   20.421   40.051   17.312 13.28820 26.77148 
1 1 1  -42    6   11 o   84.741   12.386   21.253   5.4558   26.981   8.4038   17.079   7.1728   94.828   17.026   74.654   17.992 20.17361 24.77103 
1 1 1  -42    6   12 o   97.004   11.045   27.874   5.5504   25.484   8.3985   29.727   7.3956   91.808   17.569  102.201   13.392 -10.39271 22.09088 
1 1 1  -42    6   13 o   49.854   15.107  -3.9536   8.6749 -25.4505   13.739   10.300   11.187   37.727   18.622   61.980   23.793 -24.25384 30.21393 
1 1 1  -42    6   14 o   41.593   14.070 -14.1025   8.6319  -6.3401   13.697 -19.2162   11.117   48.225   22.304   34.962   17.158 13.26285 28.13972 
1 1 1  -42    6   15 o   43.672   13.261   0.7638   5.6393   3.3448   8.3831  -1.3696   7.6216   47.654   19.787   39.691   17.660 7.963520 26.52173 
1 1 1  -42    6   16 o   39.396   12.427  -2.2413   5.5465  -7.0103   8.3338   1.5509   7.4314   35.812   16.836   42.980   18.283 -7.168041 24.85411 
1 1 1  -42    6   17 o   90.377   12.450   24.656   5.8374   28.766   8.7941   21.419   7.8047   97.326   17.358   83.428   17.852 13.89789 24.89961 
1 1 1  -42    6   18 f   59.902   14.348   10.879   5.5304   11.643   7.9614   10.165   7.6880   61.491   20.471   58.313   20.109 3.178696 28.69571 
1 1 1  -42    6   19 o   50.839   13.705   5.7147   5.4082   10.312   7.9738   1.7986   7.3597   58.705   20.466   42.972   18.234 15.73251 27.41080 
1 1 1  -42    6   20 o   64.644   14.732   13.138   5.8363   13.639   8.6354   12.717   7.9187   65.612   21.295   63.676   20.364 1.935421 29.46484 
1 1 1  -42    6   21 o   62.527   14.775   12.154   5.8343   12.153   8.8890   12.155   7.7332   62.655   21.622   62.398   20.142 0.2573280 29.55012 
1 1 1  -42    6   22 o   49.927   13.133   3.7892   5.6985  -6.8232   8.3519   13.033   7.7948   35.748   16.821   64.106   20.172 -28.35831 26.26519 
1 1 1  -42    6   23 o   47.762   13.784   3.7188   5.8822  -1.1109   8.5124   8.1324   8.1375   41.463   18.540   54.061   20.402 -12.59779 27.56729 
1 1 1  -42    6   24 o  101.364   11.699   31.423   6.2173   30.783   9.2712   31.946   8.3813   98.963   18.000  103.765   14.948 -4.801170 23.39732 
1 1 1  -42    6   25 o   45.334   13.659   2.4662   5.9642  -0.3595   8.8942   4.7749   8.0397   42.766   19.049   47.902   19.580 -5.135639 27.31752 
1 1 1  -42    6   26 o   43.833   13.686   0.2695   6.2864   1.2143   9.6306  -0.4319   8.2981   46.104   20.207   41.563   18.463 4.540699 27.37138 
1 1 1  -42    6   27 o   45.909   13.361  -1.6910   6.1790   11.285   9.2118 -12.3049   8.3313   60.335   21.895   31.483   15.321 28.85190 26.72272 
1 1 1  -42    6   28 o   90.635   13.883   27.134   6.7317   19.282   10.130   33.344   9.0087   75.396   22.870  105.873   15.747 -30.47676 27.76666 
1 1 1  -42    6   29 o   39.430   12.904  -5.7346   6.6806 -11.5741   9.7217  -0.5099   9.1958   35.387   17.058   43.474   19.366 -8.086933 25.80737 
1 1 1  -42    6   30 o   83.852   15.138   23.914   6.8721   24.610   10.049   23.303   9.4191   84.683   21.823   83.021   20.985 1.662216 30.27572 
1 1 1  -42    6   31 o   47.607   14.386   4.1653   6.6995   0.4515   9.7737   7.4568   9.2013   43.732   19.685   51.482   20.984 -7.750694 28.77241 
1 1 1  -42    6   32 o   39.229   12.909  -4.5308   6.7657   1.3417   9.7273 -10.0342   9.4166   44.144   19.773   34.314   16.601 9.829884 25.81785 
1 1 1  -42    6   33 o   75.902   15.930   16.028   7.8491   3.5640   9.6372   40.586   13.527   47.322   20.483  104.481   24.402 -57.15960 31.85918 
1 1 1  -42    6   34 o   55.316   16.264   8.3295   7.6210   6.8532   9.2912   11.365   13.323   51.085   20.984   59.546   24.853 -8.460884 32.52745 
1 1 1  -42    6   35 f   41.721   13.647  -2.2375   7.3588  -9.6036   12.385   1.7822   9.1489   39.903   19.239   43.538   19.361 -3.635773 27.29465 
1 1 1  -42    6   36 o   35.526   12.085  -8.3621   6.8401  -6.4185   9.4320 -10.5181   9.9341   36.368   17.335   34.684   16.844 1.684032 24.17056 
1 1 1  -42    7    1 o   67.481   13.357   13.740   5.0762   17.246   7.7012   11.046   6.7502   74.574   19.044   60.387   18.734 14.18752 26.71396 
1 1 1  -42    7    2 o   84.706   13.104   21.363   6.0385   13.898   8.1093   30.653   9.0468   66.899   20.497  102.513   16.332 -35.61424 26.20813 
1 1 1  -42    7    3 o   61.964   14.140   10.152   6.1729   19.457   8.7795   1.0547   8.6809   78.649   20.463   45.279   19.520 33.37044 28.27954 
1 1 1  -42    7    4 o   40.683   13.107  -3.6787   6.3531  -4.5721   9.2840  -2.8919   8.7124   40.550   18.612   40.816   18.460 -0.2662544 26.21378 
1 1 1  -42    7    5 o   60.858   15.189   10.486   6.4781   5.7477   9.4294   14.721   8.9151   53.114   21.389   68.601   21.570 -15.48699 30.37719 
1 1 1  -42    7    6 o   47.062   13.276   4.3444   5.0446   4.2509   7.7618   4.4127   6.6377   47.987   19.377   46.138   18.152 1.849403 26.55143 
1 1 1  -42    7    7 o  168.308   6.8984   78.990   6.1993   76.700   9.4408   80.726   8.2197  165.768   10.540  170.849   8.9034 -5.080841 13.79680 
1 1 1  -42    7    8 o   74.418   12.223   15.852   5.2283   26.577   7.9428   7.6511   6.9452   95.876   15.331   52.960   19.040 42.91598 24.44559 
1 1 1  -42    7    9 o  118.776   8.7176   40.246   5.5030   37.192   8.3696   42.571   7.3037  114.226   13.560  123.327   10.960 -9.101089 17.43515 
1 1 1  -42    7   10 o   94.041   11.421   25.245   5.5189   36.642   8.5895   17.232   7.2022  113.141   14.049   74.941   18.009 38.19989 22.84103 
1 1 1  -42    7   11 o   67.981   13.254   14.513   5.4594   6.9936   8.0984   20.776   7.3914   53.099   20.277   82.862   17.075 -29.76287 26.50885 
1 1 1  -42    7   12 o   52.335   13.870   6.9336   5.4257   3.7259   8.3095   9.3176   7.1635   48.093   19.811   56.577   19.417 -8.483383 27.73928 
1 1 1  -42    7   13 o  103.967   17.096   33.528   9.1876   45.450   15.398   26.937   11.449  117.173   25.077   90.761   23.243 26.41162 34.19165 
1 1 1  -42    7   14 o   51.640   15.285  -1.1976   8.7303 -26.1486   14.815   12.077   10.806   39.306   19.390   63.975   23.635 -24.66852 30.57098 
1 1 1  -42    7   15 o   98.125   11.233   28.213   5.9545   29.168   8.4782   27.284   8.3648   99.846   15.714   96.404   16.057 3.442261 22.46694 
1 1 1  -42    7   16 o   69.791   20.599   15.536   8.3028   15.536   8.3028   0.0000   0.0000   69.791   20.599  ?   ?       ?      ? 
1 1 1  -42    7   17 o   50.346   13.891   5.7139   5.5285   8.2760   7.9493   3.3138   7.6939   54.756   20.263   45.936   19.006 8.820923 27.78149 
1 1 1  -42    7   18 o   71.233   13.794   15.821   5.5794   20.799   8.2050   11.540   7.6094   81.361   19.006   61.105   19.998 20.25568 27.58874 
1 1 1  -42    7   19 o   50.483   13.914   5.7436   5.6010   2.6636   8.0118   8.6878   7.8332   45.576   19.164   55.390   20.176 -9.813385 27.82736 
1 1 1  -42    7   20 o   37.086   12.075  -4.2076   5.5699  -3.0660   8.1863  -5.1917   7.6004   38.905   17.712   35.268   16.415 3.637371 24.14917 
1 1 1  -42    7   21 o   44.871   13.420   1.5049   5.7230   6.0039   8.5066  -2.2155   7.7355   51.179   20.418   38.564   17.422 12.61478 26.84016 
1 1 1  -42    7   22 o   98.144   12.624   31.070   6.3080   22.191   9.4567   38.187   8.4670   81.782   21.217  114.506   13.684 -32.72414 25.24730 
1 1 1  -42    7   23 o  101.249   12.066   31.555   6.3739   31.517   9.7225   31.584   8.4409   99.506   18.770  102.993   15.167 -3.486580 24.13175 
1 1 1  -42    7   24 o   73.058   13.469   18.019   6.0128   7.4816   8.9365   26.736   8.1277   53.312   21.035   92.803   16.827 -39.49043 26.93728 
1 1 1  -42    7   25 o   79.930   13.162   18.958   6.1635   33.862   9.5552   8.3385   8.0658  105.764   16.719   54.095   20.333 51.66912 26.32435 
1 1 1  -42    7   26 f   35.131   11.849  -9.0921   6.1617  -6.0659   9.3638 -11.4032   8.1831   38.584   18.045   31.678   15.362 6.906115 23.69835 
1 1 1  -42    7   27 o  116.273   10.925   39.164   6.7822   46.665   10.626   34.009   8.8099  125.286   15.696  107.260   15.200 18.02600 21.84974 
1 1 1  -42    7   28 o   35.263   11.924  -9.5840   6.4373 -12.8412   9.7402  -7.0579   8.5777   34.644   16.790   35.883   16.934 -1.239689 23.84729 
1 1 1  -42    7   29 o   65.888   15.662   14.577   6.5853   16.860   9.7654   12.674   8.9182   69.766   22.646   62.010   21.643 7.756184 31.32468 
1 1 1  -42    7   30 o   46.776   14.250   3.0792   6.6545   7.4549   9.6361  -0.9100   9.2006   52.038   21.373   41.513   18.852 10.52533 28.49909 
1 1 1  -42    7   31 o   36.126   12.167  -7.1652   6.5707  -4.0958   9.3539 -10.1553   9.2322   38.437   17.995   33.816   16.379 4.620380 24.33316 
1 1 1  -42    7   32 o   66.633   17.343   16.089   7.9352   13.674   9.8676   20.509   13.350   61.982   22.635   71.283   26.283 -9.301376 34.68642 
1 1 1  -42    7   33 o   41.568   13.865 -12.8608   7.8308 -23.8090   9.7974   6.5045   13.030   28.790   14.447   54.346   23.670 -25.55584 27.73031 
1 1 1  -42    7   34 o   59.370   16.500   10.581   7.6803   21.408   12.853   4.5690   9.5785   71.192   25.858   47.548   20.501 23.64377 32.99915 
1 1 1  -42    7   35 o   53.983   16.071   9.3943   7.8618   9.8311   12.622   9.1173   10.049   54.994   23.621   52.972   21.799 2.021629 32.14241 
1 1 1  -42    8    1 o   51.191   14.318   4.4770   6.2655  -1.6845   8.9225   10.471   8.8003   42.434   18.977   59.948   21.446 -17.51415 28.63645 
1 1 1  -42    8    2 o   63.577   14.201   9.1916   6.4098   23.176   9.8481  -1.0863   8.4428   85.138   21.424   42.016   18.645 43.12215 28.40117 
1 1 1  -42    8    3 o   63.441   14.935   11.859   6.6115   3.5653   9.9710   18.367   8.8324   50.827   21.376   76.055   20.863 -25.22791 29.87006 
1 1 1  -42    8    4 o   35.963   11.549  -4.2095   5.1757 -12.4399   8.4151   0.7986   6.5642   32.061   15.554   39.865   17.076 -7.804291 23.09812 
1 1 1  -42    8    5 o   52.166   13.770   6.2114   5.2541   10.747   8.2368   3.0998   6.8224   60.215   20.812   44.117   18.036 16.09833 27.53921 
1 1 1  -42    8    6 o   66.593   13.317   14.190   5.2312   8.8019   8.2207   17.857   6.7813   56.451   20.653   76.736   16.818 -20.28425 26.63482 
1 1 1  -42    8    7 o   44.279   13.020   2.6115   5.1420   0.8243   8.0167   3.8606   6.7022   43.399   18.734   45.160   18.086 -1.761089 26.03966 
1 1 1  -42    8    8 o   39.761   12.465  -1.0312   5.2413  -0.8700   8.2006  -1.1425   6.8149   41.698   18.446   37.825   16.770 3.873161 24.93007 
1 1 1  -42    8    9 o   48.905   13.654   5.1626   5.3048   4.9687   7.9994   5.3149   7.0874   49.377   19.765   48.434   18.843 0.9427185 27.30780 
1 1 1  -42    8   10 o   48.919   13.194   3.5574   5.2569   11.315   8.0065  -2.3209   6.9697   61.084   20.531   36.753   16.576 24.33164 26.38707 
1 1 1  -42    8   11 o   63.360   14.401   12.492   5.6253   10.936   8.3955   13.759   7.5779   60.434   21.004   66.287   19.708 -5.852837 28.80220 
1 1 1  -42    8   12 o   42.475   13.104  -0.6627   5.6354   3.6916   8.8667  -3.6137   7.2994   48.797   20.313   36.154   16.561 12.64241 26.20855 
1 1 1  -42    8   13 o   73.820   18.204   18.359   9.0303   13.266   15.419   21.018   11.141   68.317   27.407   79.324   23.967 -11.00697 36.40851 
1 1 1  -42    8   14 o   66.014   18.380   10.705   9.5345   19.955   15.519   5.0968   12.084   76.575   28.318   55.454   23.438 21.12118 36.75933 
1 1 1  -42    8   15 o   43.212   13.223  -0.3178   5.7641   4.7498   8.7535  -4.1974   7.6591   49.973   20.429   36.450   16.795 13.52290 26.44655 
1 1 1  -42    8   16 o   83.169   13.280   22.146   6.0117   15.409   8.9713   27.636   8.0990   69.183   21.620   97.154   15.427 -27.97173 26.55953 
1 1 1  -42    8   17 o   38.705   12.466  -4.2988   5.7320   0.7479   8.8321  -7.9713   7.5342   44.733   19.485   32.678   15.553 12.05465 24.93105 
1 1 1  -42    8   18 o   65.020   14.620   13.451   5.8617   10.856   8.6493   15.655   7.9715   60.033   21.284   70.006   20.048 -9.973660 29.23936 
1 1 1  -42    8   19 o   81.575   12.927   21.678   5.8701   11.921   8.6746   29.920   7.9730   61.873   21.359  101.277   14.569 -39.40381 25.85454 
1 1 1  -42    8   20 o   44.121   13.388   0.4703   5.8509   5.9209   8.8352  -3.7870   7.8084   51.280   20.685   36.961   17.003 14.31876 26.77659 
1 1 1  -42    8   21 o  128.916   9.3743   47.931   6.5028   52.949   9.7513   43.913   8.7265  134.857   13.381  122.975   13.132 11.88136 18.74869 
1 1 1  -42    8   22 o   43.209   13.726  -4.3819   6.6411   6.2635   10.938 -10.5968   8.3577   53.886   22.508   32.533   15.716 21.35217 27.45144 
1 1 1  -42    8   23 o   59.672   14.355   9.6231   6.2504   19.134   9.0972   1.1190   8.6024   75.393   21.358   43.952   19.185 31.44055 28.70926 
1 1 1  -42    8   24 o   34.547   11.571  -8.5663   5.9537 -15.5290   8.9867  -3.1198   7.9482   31.233   15.348   37.861   17.320 -6.627916 23.14149 
1 1 1  -42    8   25 o   43.845   13.538  -0.7031   6.2010   5.4554   9.3601  -5.5205   8.2784   51.228   21.055   36.462   17.025 14.76541 27.07665 
1 1 1  -42    8   27 o   43.980   13.829  -1.4153   6.6856   3.9092   9.9730  -5.7611   9.0099   49.982   21.218   37.977   17.742 12.00513 27.65850 
1 1 1  -42    8   28 o   33.525   11.504 -12.3980   6.5629 -16.0913   9.7140  -9.2965   8.9018   32.424   15.938   34.626   16.595 -2.201141 23.00875 
1 1 1  -42    8   29 o   52.346   15.135   7.3468   6.8112   10.858   10.195   4.5163   9.1536   57.183   22.497   47.508   20.252 9.674503 30.27021 
1 1 1  -42    8   30 o   37.360   12.520  -6.3324   6.7565  -3.1563   9.8550  -9.1493   9.2811   40.150   18.689   34.570   16.665 5.579411 25.03981 
1 1 1  -42    8   31 o   51.637   14.947   6.0005   6.9731  -0.1700   9.7471   12.469   9.9799   43.329   19.567   59.945   22.601 -16.61583 29.89397 
1 1 1  -42    8   32 o   85.940   17.092   26.939   8.0351   24.082   10.056   31.982   13.362   81.763   22.193   90.116   26.000 -8.352524 34.18390 
1 1 1  -42    8   33 o   39.489   13.241  -5.6887   7.4008  -9.9234   12.575  -3.4449   9.1539   40.285   19.414   38.693   18.011 1.592308 26.48256 
1 1 1  -42    8   34 o   94.656   15.669   30.251   7.9387   53.604   13.653   18.322   9.7579  121.180   21.644   68.132   22.663 53.04818 31.33759 
1 1 1  -42    9    1 o   64.407   15.439   13.028   6.5429   9.5023   10.007   15.660   8.6471   58.925   22.531   69.890   21.115 -10.96519 30.87835 
1 1 1  -42    9    2 o  139.864   7.9657   54.841   5.8664   56.589   9.4688   53.752   7.4734  141.029   12.425  138.698   9.9715 2.331161 15.93149 
1 1 1  -42    9    3 o   77.735   11.578   15.218   5.4215   36.554   8.9116   2.6826   6.8309  112.246   14.693   43.224   17.898 69.02196 23.15604 
1 1 1  -42    9    4 o   45.814   13.228   0.9400   5.3478   9.3078   8.7500  -4.0493   6.7565   57.505   21.264   34.123   15.741 23.38285 26.45575 
1 1 1  -42    9    5 o   44.828   13.304   2.3189   5.3227   4.1367   8.5503   1.1688   6.8013   48.829   20.103   40.826   17.432 8.002888 26.60778 
1 1 1  -42    9    6 o   78.688   13.124   18.810   5.4096   22.343   8.6064   16.503   6.9553   84.373   19.296   73.003   17.793 11.36971 26.24779 
1 1 1  -42    9    7 o   46.770   13.414   2.8014   5.4233   8.1511   8.3064  -1.1736   7.1600   54.990   20.641   38.550   17.136 16.44038 26.82722 
1 1 1  -42    9    8 o   52.430   13.788   7.3617   5.2602   5.0415   8.3292   8.9010   6.7843   49.796   20.085   55.063   18.896 -5.267506 27.57641 
1 1 1  -42    9    9 o   72.817   13.595   17.077   5.5409   12.848   8.3306   20.433   7.4202   64.052   20.922   81.582   17.365 -17.52956 27.18962 
1 1 1  -42    9   10 o  106.233   15.576   33.065   8.9415   33.065   8.9415   0.0000   0.0000  106.233   15.576  ?   ?       ?      ? 
1 1 1  -42    9   11 o   58.373   14.022   9.9420   5.7737   3.0519   8.8347   15.078   7.6280   47.722   20.098   69.024   19.559 -21.30226 28.04434 
1 1 1  -42    9   12 o   70.902   28.027   15.457   15.892   15.457   15.892   0.0000   0.0000   70.902   28.027  ?   ?       ?      ? 
1 1 1  -42    9   13 f   89.591   18.625   29.281   10.183   18.736   16.297   36.036   13.043   75.000   28.734  104.182   23.703 -29.18188 37.24918 
1 1 1  -42    9   14 o   48.662   15.540  -3.3785   9.1298 -16.7140   15.267   4.0450   11.391   44.148   21.305   53.176   22.628 -9.028252 31.07961 
1 1 1  -42    9   15 o   70.465   14.682   15.922   5.9343   16.109   9.0658   15.782   7.8497   70.516   21.684   70.414   19.802 0.1021194 29.36482 
1 1 1  -42    9   16 o   43.347   13.326   0.7328   5.8221  -0.4797   8.6911   1.7199   7.8416   42.888   18.981   43.805   18.711 -0.9172859 26.65259 
1 1 1  -42    9   17 o  107.597   11.413   35.375   6.2609   30.636   9.6230   38.854   8.2445   99.030   18.667  116.164   13.134 -17.13432 22.82501 
1 1 1  -42    9   18 o   90.614   13.253   26.454   6.2995   21.269   9.5990   30.377   8.3488   79.878   21.683  101.351   15.244 -21.47257 26.50540 
1 1 1  -42    9   19 o   38.590   12.496  -3.1624   5.8552  -4.9310   8.9627  -1.8456   7.7337   38.520   17.895   38.660   17.446 -0.1392822 24.99183 
1 1 1  -42    9   20 o   58.828   14.873   10.864   6.1771   6.8353   9.5828   13.729   8.0798   53.066   21.494   64.589   20.561 -11.52230 29.74520 
1 1 1  -42    9   21 o   37.850   12.407  -4.7315   6.1046  -8.9750   9.4989  -1.7458   7.9678   36.464   17.385   39.236   17.707 -2.771404 24.81490 
1 1 1  -42    9   22 o   75.842   15.044   19.362   6.4068   18.073   9.8638   20.304   8.4263   72.799   22.657   78.885   19.799 -6.085938 30.08826 
1 1 1  -42    9   23 o   45.238   13.733   1.2192   6.2946  -4.3874   9.4183   5.7453   8.4622   40.139   18.540   50.337   20.265 -10.19825 27.46652 
1 1 1  -42    9   24 o   63.749   14.874   13.132   6.3013   7.3241   9.5882   17.548   8.3602   54.272   21.669   73.226   20.380 -18.95381 29.74726 
1 1 1  -42    9   25 o   76.225   12.938   18.505   6.6532   1.3177   9.7786   33.320   9.0784   46.721   20.422  105.728   15.890 -59.00731 25.87619 
1 1 1  -42    9   26 o   41.422   13.398  -3.3901   6.7328  -0.5487   9.8639  -5.8688   9.2127   44.585   19.945   38.258   17.895 6.327137 26.79615 
1 1 1  -42    9   27 o   53.764   15.176   7.9632   6.7143   5.6428   10.138   9.7761   8.9611   51.275   21.559   56.254   21.366 -4.979015 30.35285 
1 1 1  -42    9   28 o   69.945   15.731   18.518   6.8404   15.039   10.279   21.284   9.1643   63.371   23.108   76.519   21.352 -13.14814 31.46285 
1 1 1  -42    9   29 o   50.045   14.879   6.4657   6.8460   5.1508   10.166   7.5567   9.2603   48.921   21.107   51.169   20.976 -2.248135 29.75717 
1 1 1  -42    9   30 o   55.169   15.494   9.0535   7.0859   4.9471   10.270   12.784   9.7893   49.745   21.335   60.593   22.474 -10.84888 30.98780 
1 1 1  -42    9   31 o   68.207   17.208   17.115   7.9164   14.342   10.304   21.110   12.367   63.216   23.124   73.199   25.489 -9.983089 34.41526 
1 1 1  -42    9   32 o   40.909   13.390  -2.8222   6.9902   0.5684   10.340  -5.6760   9.4862   44.322   20.071   37.496   17.730 6.825455 26.78096 
1 1 1  -42    9   33 o   49.853   15.096   6.0491   7.6261  -1.9457   12.742   10.511   9.5193   44.870   21.006   54.836   21.686 -9.965385 30.19182 
1 1 1  -42   10    1 o   35.110   11.598  -5.7593   5.3201  -3.7596   8.3493  -7.1261   6.9029   38.663   17.711   31.557   14.981 7.106287 23.19686 
1 1 1  -42   10    2 o   60.332   14.367   10.743   5.4771   13.730   8.6559   8.7489   7.0731   65.794   21.317   54.871   19.267 10.92311 28.73424 
1 1 1  -42   10    3 o   55.150   13.595   6.2115   5.3874   16.289   8.7107  -0.0313   6.8560   71.109   21.127   39.191   17.117 31.91739 27.19045 
1 1 1  -42   10    4 o   53.629   14.332   7.4227   5.5869   9.0383   8.8764   6.3629   7.1896   57.016   21.350   50.241   19.124 6.775314 28.66314 
1 1 1  -42   10    5 o   49.440   13.971   5.0934   5.5495   6.3710   8.7750   4.2417   7.1642   52.473   20.799   46.407   18.659 6.066422 27.94232 
1 1 1  -42   10    6 o   45.318   13.211   3.0231   5.3937  -2.0874   8.9112   5.9779   6.7759   41.721   18.787   48.914   18.579 -7.192902 26.42204 
1 1 1  -42   10    7 o   43.864   12.973   1.7793   5.4605  -5.1809   8.9747   5.8704   6.8806   38.866   18.003   48.861   18.683 -9.995811 25.94509 
1 1 1  -42   10    8 o   52.027   14.204   6.3019   5.5984   9.3010   8.8342   4.2892   7.2371   57.434   21.340   46.619   18.751 10.81537 28.40755 
1 1 1  -42   10    9 o   65.199   14.301   12.498   5.6174   18.736   8.9066   8.3768   7.2386   76.162   20.975   54.235   19.445 21.92720 28.60140 
1 1 1  -42   10   10 o   42.531   12.819  -0.6534   5.7372  -9.4212   8.6993   6.0954   7.6322   34.701   16.570   50.361   19.565 -15.66048 25.63861 
1 1 1  -42   10   11 o   43.961   13.162   1.4521   5.6389  -3.9250   8.7762   5.2328   7.3590   39.519   18.123   48.403   19.091 -8.883915 26.32323 
1 1 1  -42   10   12 o   56.389   17.005   4.5337   9.4941  -6.4054   16.269   10.182   11.691   51.587   24.013   61.190   24.086 -9.602970 34.01095 
1 1 1  -42   10   13 o   50.979   16.445  -2.5283   9.5353   0.7390   16.177  -4.2680   11.804   56.408   25.365   45.551   20.936 10.85737 32.88921 
1 1 1  -42   10   14 o   72.017   16.027   17.736   7.5410   23.490   9.6618   8.7680   12.063   84.762   21.160   59.272   24.078 25.49025 32.05446 
1 1 1  -42   10   15 o   33.441   11.362 -10.4207   5.8861  -6.2645   8.9450 -13.5948   7.8170   37.518   17.575   29.364   14.406 8.153862 22.72486 
1 1 1  -42   10   16 o   42.677   13.139  -0.1247   5.9903  -6.9128   9.2996   4.6894   7.8315   37.691   17.740   47.663   19.386 -9.971416 26.27770 
1 1 1  -42   10   17 o   88.113   13.555   24.626   6.2622   30.172   9.4540   20.289   8.3590   97.441   18.634   78.785   19.690 18.65553 27.10926 
1 1 1  -42   10   18 o  101.229   12.252   31.008   6.4792   38.851   9.9687   25.272   8.5255  113.351   16.275   89.106   18.318 24.24475 24.50372 
1 1 1  -42   10   19 o   38.226   12.508  -4.3255   6.0656  -3.4031   9.0470  -5.0786   8.1751   40.027   18.372   36.426   16.978 3.600319 25.01564 
1 1 1  -42   10   20 o   53.837   14.919   6.4717   6.4234   12.635   9.9665   2.0927   8.4008   62.779   22.775   44.896   19.277 17.88255 29.83790 
1 1 1  -42   10   21 o   78.525   14.770   19.959   6.4687   26.335   9.7243   14.899   8.6634   89.814   20.490   67.237   21.279 22.57756 29.54020 
1 1 1  -42   10   22 o   48.262   14.496   3.2804   6.5377   3.4585   9.9915   3.1471   8.6453   49.594   21.151   46.929   19.830 2.664886 28.99237 
1 1 1  -42   10   23 o  173.207   12.840   86.494   12.017   86.494   12.017   0.0000   0.0000  173.207   12.840  ?   ?       ?      ? 
1 1 1  -42   10   24 o   39.531   12.985  -5.7335   6.7279  -1.7967   9.6934  -9.3927   9.3455   43.118   19.488   35.944   17.167 7.173389 25.97090 
1 1 1  -42   10   25 o   69.140   13.976   15.475   6.7837   0.9661   10.092   27.433   9.1622   46.229   20.457   92.052   19.048 -45.82274 27.95141 
1 1 1  -42   10   26 o   58.463   15.596   11.026   6.6822   15.015   10.381   8.2045   8.7315   64.252   23.254   52.674   20.789 11.57854 31.19229 
1 1 1  -42   10   27 o   83.485   15.122   24.555   6.9861   35.048   10.849   17.123   9.1312   99.386   20.866   67.583   21.894 31.80270 30.24467 
1 1 1  -42   10   28 o   41.806   13.532  -1.3248   6.8611  -2.5144   10.326  -0.3846   9.1804   41.828   19.353   41.784   18.918 0.4381561E-01 27.06337 
1 1 1  -42   10   29 o   58.184   15.534   10.182   7.0290   17.369   10.297   3.9098   9.6186   68.588   23.282   47.780   20.573 20.80810 31.06886 
1 1 1  -42   10   30 o   54.728   16.335   8.0152   8.0949   7.3745   10.255   9.0743   13.185   52.615   21.870   56.841   24.270 -4.226311 32.66999 
1 1 1  -42   10   31 o   55.274   22.304   10.229   10.276   0.0000   0.0000   10.229   10.276  ?   ?    55.274   22.304      ?      ? 
1 1 1  -42   10   32 o   31.979   11.330 -21.3403   7.7037 -18.6689   12.606 -22.9326   9.7325   35.518   17.588   28.441   14.289 7.077419 22.66086 
1 1 1  -42   11    1 o   60.521   14.086   11.715   5.6842   5.5467   9.3269   15.359   7.1695   51.545   21.082   69.496   18.687 -17.95163 28.17136 
1 1 1  -42   11    2 o   49.272   14.036   4.7081   5.6497   7.8318   9.0370   2.7040   7.2386   54.737   21.282   43.808   18.305 10.92889 28.07163 
1 1 1  -42   11    3 o   47.073   13.399   1.1846   5.6349   10.925   8.8772  -5.3882   7.2923   60.009   21.532   34.136   15.952 25.87342 26.79703 
1 1 1  -42   11    4 o   45.154   13.469   2.4383   5.5286   4.0595   8.7267   1.3514   7.1454   48.651   20.194   41.657   17.829 6.993259 26.93828 
1 1 1  -42   11    5 o   73.315   14.311   17.294   5.8085   17.652   8.9731   17.035   7.6205   73.438   21.341   73.191   19.075 0.2467117 28.62277 
1 1 1  -42   11    6 o   38.546   12.438  -2.8818   5.5980  -3.9857   9.1807  -2.2285   7.0629   40.264   18.491   36.827   16.641 3.436726 24.87647 
1 1 1  -42   11    7 o   40.761   12.867  -0.9712   5.6213  -1.7584   9.2297  -0.5071   7.0874   42.543   19.142   38.979   17.201 3.564758 25.73484 
1 1 1  -42   11    8 o   59.641   14.547   9.7108   5.6917   16.334   9.3254   5.7789   7.1852   70.421   22.048   48.862   18.983 21.55903 29.09414 
1 1 1  -42   11    9 o   86.228   13.264   23.951   5.9874   19.984   9.5932   26.482   7.6632   77.516   21.923   94.939   14.937 -17.42226 26.52801 
1 1 1  -42   11   10 o  108.489   11.765   36.658   6.4240   30.416   9.9879   41.061   8.3895   97.689   19.602  119.290   13.015 -21.60048 23.52970 
1 1 1  -42   11   11 o   34.247   11.549  -8.3071   5.8642 -10.4128   9.2215  -6.8774   7.5987   34.993   16.803   33.501   15.849 1.491501 23.09832 
1 1 1  -42   11   12 o   58.588   17.939   2.2016   9.8941   18.403   17.775  -5.0721   11.910   72.645   29.327   44.531   20.667 28.11425 35.87717 
1 1 1  -42   11   13 o   52.595   16.280   0.5457   9.7597 -17.9730   16.538   10.441   12.089   44.671   21.703   60.519   24.272 -15.84821 32.56000 
1 1 1  -42   11   14 o   69.934   15.426   16.256   6.5007   20.004   9.6670   13.163   8.7832   76.536   22.125   63.332   21.502 13.20406 30.85199 
1 1 1  -42   11   15 o   46.802   13.965   1.4464   6.2751   8.8110   9.5561  -4.1365   8.3202   55.982   21.852   37.621   17.394 18.36065 27.92977 
1 1 1  -42   11   16 o   92.461   13.239   28.704   6.4752   16.591   9.5570   38.983   8.8038   69.833   22.376  115.090   14.156 -45.25655 26.47783 
1 1 1  -42   11   17 o   50.825   14.145   4.9929   6.2946  -3.0546   9.3510   11.661   8.5118   41.097   18.795   60.552   21.143 -19.45538 28.28948 
1 1 1  -42   11   18 o   52.684   14.791   6.5447   6.5288   1.6765   9.9131   10.274   8.6761   47.218   20.603   58.150   21.226 -10.93136 29.58122 
1 1 1  -42   11   19 o   95.612   13.997   29.107   6.9510   31.889   10.560   26.980   9.2335   99.269   20.369   91.955   19.202 7.314095 27.99343 
1 1 1  -42   11   20 o   60.403   22.955   10.870   10.347   10.870   10.347   0.0000   0.0000   60.403   22.955  ?   ?       ?      ? 
1 1 1  -42   11   21 o  112.707   12.421   40.061   7.0504   32.948   10.900   45.178   9.2449  100.802   20.703  124.613   13.729 -23.81127 24.84204 
1 1 1  -42   11   22 o   42.215   13.496  -3.6697   6.6085   3.3076   10.234  -8.6594   8.6546   49.640   21.294   34.791   16.589 14.84866 26.99294 
1 1 1  -42   11   23 o   63.984   15.827   13.731   6.7624   12.390   10.322   14.738   8.9507   61.878   23.052   66.091   21.692 -4.212727 31.65340 
1 1 1  -42   11   24 o   58.448   15.679   10.962   6.7778   14.117   10.390   8.6256   8.9426   63.135   23.201   53.762   21.096 9.373024 31.35771 
1 1 1  -42   11   25 o   61.049   15.416   13.534   6.8377   7.5024   10.315   18.262   9.1325   52.029   21.804   70.070   21.799 -18.04059 30.83259 
1 1 1  -42   11   26 o  167.891   8.8981   85.007   7.9472   77.401   11.921   91.092   10.662  159.378   13.842  176.403   11.185 -17.02492 17.79625 
1 1 1  -42   11   27 o   50.931   14.917   6.3188   6.8852   2.2237   10.426   9.4859   9.1689   46.888   20.768   54.975   21.420 -8.087002 29.83477 
1 1 1  -42   11   28 o   51.530   14.802   6.0119   6.9604  -1.6715   10.362   12.329   9.3959   43.129   19.747   59.931   22.057 -16.80214 29.60464 
1 1 1  -42   11   29 o   57.549   16.045   10.090   8.3218   18.466   10.793  -2.1914   13.069   68.931   23.823   46.168   21.501 22.76288 32.09079 
1 1 1  -42   11   30 o   71.963   17.833   21.270   8.4982   16.784   11.025   27.838   13.340   64.554   23.868   79.372   26.502 -14.81897 35.66584 
1 1 1  -42   12    1 o   36.034   11.867  -4.9324   5.6408  -9.6438   9.1924  -2.0869   7.1439   35.255   16.888   36.813   16.676 -1.558815 23.73383 
1 1 1  -42   12    2 o   74.692   14.407   18.618   5.9306   17.704   9.3796   19.226   7.6551   72.095   22.037   77.289   18.562 -5.194008 28.81308 
1 1 1  -42   12    3 o   51.567   14.430   6.6593   5.8461   7.4561   9.3856   6.1541   7.4727   53.764   21.447   49.370   19.309 4.393532 28.85905 
1 1 1  -42   12    4 o   33.206   11.098  -9.7475   5.6915 -21.8822   8.8426  -1.1645   7.4368   27.776   13.908   38.635   17.298 -10.85905 22.19581 
1 1 1  -42   12    5 o   60.292   14.806   10.972   5.8486   15.400   9.3114   8.0861   7.5164   67.604   22.121   52.980   19.684 14.62471 29.61128 
1 1 1  -42   12    6 o   94.971   12.965   29.318   6.2260   24.600   10.109   32.201   7.9026   85.236   21.848  104.706   13.967 -19.46992 25.93074 
1 1 1  -42   12    7 o   49.432   14.199   2.8787   5.9871   11.904   10.001  -2.1619   7.4744   61.287   22.719   37.577   17.037 23.70927 28.39733 
1 1 1  -42   12    8 o   94.224   12.703   26.595   6.2456   35.993   10.009   20.602   7.9924  108.543   17.065   79.905   18.821 28.63847 25.40543 
1 1 1  -42   12    9 o   50.076   14.103   5.0232   6.3038  -3.6802   10.050   10.668   8.0937   41.863   19.270   58.290   20.597 -16.42749 28.20593 
1 1 1  -42   12   10 o  103.659   11.932   32.116   6.4582   39.770   10.146   26.903   8.3735  114.604   16.384   92.715   17.351 21.88891 23.86423 
1 1 1  -42   12   11 o   41.667   14.506 -14.5084   7.4244  -1.2196   17.539 -17.4096   8.1948   55.169   25.418   28.165   13.987 27.00404 29.01190 
1 1 1  -42   12   12 o   50.771   16.629  -6.8908   10.119   8.0721   17.561 -14.3288   12.381   62.271   27.290   39.271   19.008 23.00007 33.25750 
1 1 1  -42   12   13 o   58.587   17.990   6.4800   10.388   3.2185   17.654   8.2072   12.847   58.695   26.435   58.479   24.407 0.2156563 35.97960 
1 1 1  -42   12   14 o   39.447   12.742  -4.4007   6.3478 -11.9558   9.7013   1.2558   8.3943   35.052   16.932   43.842   19.047 -8.790470 25.48464 
1 1 1  -42   12   15 f   39.143   12.675  -4.9572   6.3410 -12.4311   9.4527   1.1578   8.5502   34.201   16.567   44.085   19.188 -9.884743 25.35035 
1 1 1  -42   12   16 o   47.708   20.674   2.1244   9.8395   2.1244   9.8395   0.0000   0.0000   47.708   20.674  ?   ?       ?      ? 
1 1 1  -42   12   17 o  112.505   11.357   37.427   6.8316   40.447   10.587   35.272   8.9427  115.762   16.924  109.248   15.148 6.514641 22.71349 
1 1 1  -42   12   18 o   80.109   23.241   21.939   10.650   21.939   10.650   0.0000   0.0000   80.109   23.241  ?   ?       ?      ? 
1 1 1  -42   12   19 o   85.334   14.188   25.318   7.1245   11.222   10.923   35.756   9.3993   61.215   23.507  109.453   15.892 -48.23880 28.37502 
1 1 1  -42   12   20 o   44.005   13.953  -1.7620   6.7325   3.5104   10.789  -5.1245   8.6159   50.524   21.771   37.487   17.458 13.03694 27.90604 
1 1 1  -42   12   21 o   43.418   13.764  -0.8027   6.5616   2.3195   10.320  -2.9215   8.5013   47.887   20.955   38.949   17.852 8.938389 27.52848 
1 1 1  -42   12   22 o   36.488   12.362  -8.6374   6.9104 -11.0924   10.805  -6.9382   8.9893   36.992   17.869   35.984   17.086 1.008595 24.72353 
1 1 1  -42   12   23 f   47.697   12.681  -1.4608   6.5614 -28.3765   10.366   16.532   8.4754   28.114   14.203   67.279   21.012 -39.16454 25.36175 
1 1 1  -42   12   24 o   48.807   14.692   5.1029   6.7656   8.5413   10.298   2.4919   8.9740   53.296   22.014   44.319   19.463 8.977264 29.38449 
1 1 1  -42   12   25 o   45.926   13.626  -5.1455   6.7559   14.601   10.443 -19.3571   8.8595   63.417   23.267   28.435   14.189 34.98275 27.25197 
1 1 1  -42   12   26 o   73.088   15.548   18.045   6.8454   27.882   10.757   11.350   8.8740   87.982   22.529   58.195   21.433 29.78610 31.09533 
1 1 1  -42   12   27 o   65.264   14.620   12.148   7.0744   28.468   10.583  -1.0360   9.5119   88.633   22.156   41.895   19.081 46.73818 29.24022 
1 1 1  -42   12   28 o   70.170   17.469   20.187   8.1580   19.149   10.709   21.622   12.593   69.169   23.740   71.171   25.634 -2.002541 34.93832 
1 1 1  -42   12   29 o   48.349   15.329   3.0843   8.1501  -0.7542   10.562   8.7342   12.814   42.783   19.716   53.915   23.478 -11.13226 30.65826 
1 1 1  -42   13    1 o   34.347   11.641 -10.6118   5.9080  -3.7872   9.5190 -14.8879   7.5349   40.898   18.799   27.796   13.733 13.10226 23.28126 
1 1 1  -42   13    2 o   57.975   14.420   10.173   6.0774   3.1949   9.6246   14.800   7.8375   48.561   20.735   67.389   20.044 -18.82798 28.83960 
1 1 1  -42   13    3 o   55.131   13.838   7.9200   6.1373  -3.5485   9.7782   15.375   7.8835   41.641   19.108   68.621   20.021 -26.97990 27.67617 
1 1 1  -42   13    4 o   35.371   11.832  -7.3008   5.8832  -5.4691   9.0512  -8.6408   7.7416   38.317   17.861   32.424   15.523 5.892868 23.66384 
1 1 1  -42   13    5 o   45.532   13.866   1.6070   6.0619   4.7494   9.6784  -0.4216   7.7761   50.598   21.156   40.466   17.929 10.13178 27.73165 
1 1 1  -42   13    6 o   45.719   13.877   2.2886   6.1307  -0.9999   10.141   4.1826   7.6963   44.783   20.115   46.655   19.124 -1.871655 27.75494 
1 1 1  -42   13    7 o   67.994   14.966   15.754   6.3761   9.9019   10.343   19.341   8.0979   58.691   22.783   77.297   19.414 -18.60541 29.93236 
1 1 1  -42   13    8 o   41.276   13.018  -2.1693   6.2824 -12.3037   10.499   3.4835   7.8411   36.684   17.694   45.868   19.099 -9.183769 26.03563 
1 1 1  -42   13    9 o   39.153   12.957  -6.2274   6.5693  -3.1844   10.717  -8.0588   8.3143   43.897   20.093   34.409   16.366 9.488796 25.91420 
1 1 1  -42   13   10 o   35.759   12.134 -10.1423   6.6745 -12.5833   10.578  -8.5279   8.6031   36.719   17.723   34.799   16.578 1.919136 24.26852 
1 1 1  -42   13   11 o  112.700   17.833   50.027   11.652   22.162   18.653   67.860   14.922   77.196   30.411  148.205   18.633 -71.00906 35.66577 
1 1 1  -42   13   12 o   49.457   16.360  -6.2832   10.791 -15.2815   18.440  -1.5971   13.307   49.064   23.611   49.850   22.651 -0.7854691 32.71936 
1 1 1  -42   13   13 o  100.606   20.688   32.818   10.871   32.818   10.871   0.0000   0.0000  100.606   20.688  ?   ?       ?      ? 
1 1 1  -42   13   14 o   77.661   23.419   20.658   10.645   20.658   10.645   0.0000   0.0000   77.661   23.419  ?   ?       ?      ? 
1 1 1  -42   13   15 o   68.459   16.112   15.045   6.9612   19.813   10.790   11.645   9.1108   75.888   23.709   61.029   21.822 14.85914 32.22313 
1 1 1  -42   13   16 o   41.221   12.853  -7.0245   6.7004 -24.7996   10.100   6.9460   8.9544   29.646   14.847   52.795   20.984 -23.14910 25.70531 
1 1 1  -42   13   17 o   43.358   13.624  -0.6817   6.5678  -5.8721   10.060   3.1738   8.6705   40.057   18.725   46.659   19.795 -6.602192 27.24782 
1 1 1  -42   13   18 o   59.953   15.710   10.943   6.8538   15.988   10.324   6.9681   9.1645   67.623   23.304   52.283   21.075 15.34034 31.42050 
1 1 1  -42   13   19 o   51.284   14.989   6.6052   6.7675   5.2228   10.262   7.6691   9.0026   50.288   21.440   52.280   20.953 -1.991741 29.97889 
1 1 1  -42   13   20 o   49.158   14.675   5.7211   6.6005   6.3430   10.298   5.2875   8.5990   50.755   21.555   47.562   19.919 3.192947 29.34918 
1 1 1  -42   13   21 o   52.296   14.957   6.3404   6.8921   15.426   10.491  -0.5584   9.1415   63.365   23.309   41.226   18.749 22.13898 29.91371 
1 1 1  -42   13   22 o   57.641   15.714   11.454   6.9004   10.519   10.873   12.084   8.9292   56.622   22.909   58.659   21.515 -2.036854 31.42830 
1 1 1  -42   13   23 o   61.271   15.237   13.032   6.7404   6.2428   10.363   18.011   8.8740   51.458   21.725   71.083   21.371 -19.62498 30.47424 
1 1 1  -42   13   24 o   45.660   14.264   1.8244   6.9318   0.2362   10.200   3.1875   9.4492   44.651   20.104   46.669   20.241 -2.018116 28.52845 
1 1 1  -42   13   25 o   36.589   12.416  -8.7045   6.9512  -7.4570   10.784  -9.5913   9.0923   39.028   18.584   34.149   16.470 4.878483 24.83204 
1 1 1  -42   13   26 o   67.699   15.659   17.707   7.0130   11.375   10.407   22.975   9.4920   56.864   22.616   78.535   21.663 -21.67049 31.31707 
1 1 1  -42   13   27 o   41.862   13.627  -1.1811   7.0800   1.4131   10.506  -3.3397   9.5831   44.674   20.231   39.050   18.261 5.623978 27.25376 
1 1 1  -42   14    1 o   54.725   14.579   6.5832   6.1507   14.748   9.5953   0.8884   8.0137   66.775   22.475   42.675   18.575 24.09978 29.15778 
1 1 1  -42   14    2 o   66.592   13.876   11.039   6.2657   26.947   9.9134   0.4569   8.0855   90.864   20.658   42.320   18.533 48.54428 27.75259 
1 1 1  -42   14    3 o   73.393   15.249   17.985   6.4244   17.189   9.9296   18.558   8.4256   71.420   22.800   75.365   20.254 -3.945503 30.49703 
1 1 1  -42   14    4 o   56.264   21.946   8.5957   9.6323   8.5957   9.6323   0.0000   0.0000   56.264   21.946  ?   ?       ?      ? 
1 1 1  -42   14    5 o   90.829   14.011   26.442   6.6035   27.096   10.286   25.984   8.6125   90.640   21.353   91.018   18.148 -0.3772964 28.02295 
1 1 1  -42   14    6 o   77.959   14.900   20.548   6.5246   16.388   10.056   23.573   8.5743   69.874   22.995   86.045   18.953 -16.17076 29.79936 
1 1 1  -42   14    7 o   75.405   22.894   19.316   10.148   19.316   10.148   0.0000   0.0000   75.405   22.894  ?   ?       ?      ? 
1 1 1  -42   14    8 o   72.957   14.281   18.105   6.7100   5.7844   10.332   27.093   8.8243   53.024   21.988   92.890   18.231 -39.86630 28.56299 
1 1 1  -42   14    9 o   72.812   16.008   18.058   6.9731   16.379   10.893   19.224   9.0765   69.571   23.940   76.054   21.260 -6.483147 32.01701 
1 1 1  -42   14   10 o   84.148   19.259   23.559   8.6886   32.432   19.119   21.250   9.7540   88.881   31.630   79.415   21.982 9.465919 38.51848 
1 1 1  -42   14   11 o   60.532   18.621   7.2390   11.131   7.4302   18.160   7.1239   14.088   62.493   27.557   58.572   25.051 3.920685 37.24164 
1 1 1  -42   14   12 o   39.069   13.751 -28.1558   11.027 -40.4730   19.087 -21.9842   13.510   40.445   20.277   37.692   18.579 2.753212 27.50177 
1 1 1  -42   14   13 o   54.534   15.338   7.2801   6.7747   11.991   10.467   3.8837   8.8872   61.291   23.137   47.777   20.142 13.51394 30.67570 
1 1 1  -42   14   14 o   50.239   14.606   3.1961   6.7719   12.521   10.257  -4.0093   9.0163   61.494   22.966   38.984   18.053 22.51005 29.21198 
1 1 1  -42   14   15 o   52.549   15.165   7.4108   6.8073   6.4242   10.192   8.2052   9.1464   51.791   21.688   53.308   21.202 -1.517731 30.32927 
1 1 1  -42   14   16 o   57.658   15.165   10.811   6.8195   3.7867   10.063   16.778   9.2741   47.751   20.799   67.566   22.075 -19.81445 30.33017 
1 1 1  -42   14   17 o   49.144   14.732   5.1704   6.7209   9.4804   10.495   2.1743   8.7505   54.679   22.363   43.609   19.184 11.07018 29.46397 
1 1 1  -42   14   18 o   62.398   14.358   13.630   6.8594  -0.1796   10.688   23.302   8.9447   44.080   20.134   80.717   20.476 -36.63760 28.71631 
1 1 1  -42   14   19 o   72.214   15.861   19.842   6.9236   17.168   10.943   21.627   8.9405   66.674   23.908   77.754   20.851 -11.07959 31.72292 
1 1 1  -42   14   20 o   56.036   14.715   9.1681   6.8529  -1.6622   10.620   16.897   8.9708   43.477   19.937   68.594   21.647 -25.11691 29.42939 
1 1 1  -42   14   21 o   41.109   13.378  -2.4873   6.7551  -2.2034   10.459  -2.6904   8.8482   42.860   19.703   39.358   18.103 3.502468 26.75687 
1 1 1  -42   14   22 o   60.798   14.983   12.673   6.8297   3.0965   10.749   19.156   8.8444   48.206   21.232   73.389   21.147 -25.18357 29.96680 
1 1 1  -42   14   23 o   49.546   14.961   5.5421   6.9714   7.2467   10.945   4.3784   9.0431   52.286   22.214   46.807   20.046 5.479424 29.92110 
1 1 1  -42   14   24 o   53.437   15.079   7.8253   6.8789   16.049   10.368   1.3573   9.1944   63.881   23.221   42.994   19.243 20.88761 30.15784 
1 1 1  -42   14   25 o   62.589   15.338   14.899   6.9941   6.6560   10.421   21.655   9.4346   50.065   21.482   75.113   21.899 -25.04780 30.67611 
1 1 1  -42   15    1 o   42.281   13.298   0.0767   6.1164   4.3131   9.2694  -3.1902   8.1400   47.436   20.305   37.126   17.179 10.31015 26.59686 
1 1 1  -42   15    2 o   58.719   15.101   11.762   6.5200   6.5157   10.167   15.427   8.4972   51.481   21.615   65.957   21.095 -14.47668 30.20270 
1 1 1  -42   15    3 o   98.244   13.397   32.389   6.7561   28.655   10.639   34.912   8.7457   89.685   22.097  106.803   15.154 -17.11834 26.79396 
1 1 1  -42   15    4 o   50.226   14.582   6.3251   6.2830   5.5790   9.9527   6.8194   8.1013   50.368   21.279   50.083   19.943 0.2853355 29.16350 
1 1 1  -42   15    5 o   51.118   14.648   6.9152   6.3411   4.5012   9.9409   8.5712   8.2338   49.060   21.014   53.176   20.412 -4.116245 29.29602 
1 1 1  -42   15    6 o   82.407   13.579   24.816   6.6351   10.745   10.257   34.943   8.7010   57.758   22.613  107.056   15.041 -49.29824 27.15843 
1 1 1  -42   15    7 o   42.818   13.274  -1.5949   6.5591 -12.5472   9.7828   7.3490   8.8405   34.079   16.588   51.557   20.728 -17.47814 26.54854 
1 1 1  -42   15    8 o   55.603   14.921   8.1507   6.6421   17.088   9.9490   0.9639   8.9216   68.076   22.886   43.129   19.152 24.94721 29.84226 
1 1 1  -42   15    9 o   34.945   12.349 -17.2533   7.8438 -36.1937   17.840 -12.7146   8.7332   38.449   19.321   31.441   15.383 7.008562 24.69729 
1 1 1  -42   15   10 o   50.248   16.769  -4.0620   11.226   7.0923   18.742 -10.3018   14.018   57.934   26.537   42.562   20.508 15.37200 33.53778 
1 1 1  -42   15   11 o   78.942   19.138   19.100   11.469   55.676   19.181  -1.2559   14.309  109.683   30.991   48.201   22.464 61.48215 38.27681 
1 1 1  -42   15   12 o   39.474   12.851  -8.1269   6.6533   6.7163   10.226 -19.0230   8.7614   50.838   21.528   28.109   14.040 22.72920 25.70179 
1 1 1  -42   15   13 f   56.174   15.595   10.618   6.8364   12.763   10.600   9.0899   8.9453   59.181   23.039   53.168   21.024 6.013134 31.18935 
1 1 1  -42   15   14 o   38.942   12.914  -4.2811   6.8110  -5.1855   10.419  -3.6061   9.0005   39.651   18.698   38.233   17.818 1.417770 25.82796 
1 1 1  -42   15   15 o  118.058   11.461   44.046   7.2464   41.942   10.755   45.795   9.8067  114.148   17.436  121.968   14.880 -7.819481 22.92181 
1 1 1  -42   15   16 o   53.447   15.260   6.9784   6.9428   13.990   10.679   1.8449   9.1376   62.426   23.410   44.468   19.582 17.95803 30.51964 
1 1 1  -42   15   17 o   47.928   14.188   3.1849   6.8339  -6.8319   10.596   10.320   8.9425   39.445   18.678   56.411   21.363 -16.96616 28.37677 
1 1 1  -42   15   18 o   52.947   15.141   7.1300   6.7236   12.141   10.388   3.5167   8.8206   59.759   22.930   46.135   19.779 13.62379 30.28168 
1 1 1  -42   15   19 o   50.134   14.984   5.6585   6.8697   7.2560   10.816   4.5782   8.8941   52.889   22.255   47.379   20.071 5.509644 29.96869 
1 1 1  -42   15   20 o   47.984   14.479   4.2214   6.9656  -2.1942   10.568   9.1503   9.2627   42.318   19.579   53.650   21.336 -11.33177 28.95802 
1 1 1  -42   15   21 o   82.103   15.189   25.449   6.8598   22.363   10.627   27.654   8.9814   74.934   23.549   89.272   19.189 -14.33799 30.37766 
1 1 1  -42   15   22 o   43.347   13.596  -3.0763   6.7798   10.961   10.498 -13.1197   8.8799   55.669   22.515   31.025   15.248 24.64352 27.19254 
1 1 1  -42   16    1 o   69.644   14.589   17.588   6.5502   8.4013   9.9350   24.651   8.7118   53.856   21.861   85.431   19.324 -31.57512 29.17705 
1 1 1  -42   16    2 f   31.496   10.888 -13.0464   6.2219 -18.9178   9.5592  -8.7306   8.1956   30.225   15.026   32.768   15.762 -2.543226 21.77664 
1 1 1  -42   16    3 o   53.634   14.856   8.8119   6.4116   5.2700   9.9702   11.309   8.3724   49.572   21.134   57.696   20.883 -8.123695 29.71136 
1 1 1  -42   16    4 o   69.584   13.976   17.661   6.5611   4.7555   10.159   26.895   8.5936   49.107   21.143   90.061   18.283 -40.95335 27.95184 
1 1 1  -42   16    5 o   56.744   14.891   10.456   6.6418   2.8482   10.335   15.808   8.6691   47.172   20.796   66.317   21.318 -19.14472 29.78104 
1 1 1  -42   16    6 o   51.247   13.733   4.6143   6.6793 -11.8809   10.433   16.073   8.6950   35.639   17.297   66.856   21.335 -31.21663 27.46545 
1 1 1  -42   16    7 o   45.737   14.111   2.4262   6.5304   5.6248   9.9808   0.0317   8.6354   50.008   21.228   41.465   18.598 8.542427 28.22216 
1 1 1  -42   16    8 o   49.987   14.683   2.8001   6.7695   14.252   10.951  -4.2818   8.6120   62.719   23.668   37.255   17.385 25.46403 29.36650 
1 1 1  -42   16    9 o   50.251   16.814  -4.5001   11.614   0.7532   18.980  -7.6441   14.683   55.045   25.727   45.456   21.656 9.589119 33.62834 
1 1 1  -42   16   10 o   63.344   19.087   8.5309   11.726   29.279   19.044  -4.1396   14.882   78.741   30.817   47.947   22.528 30.79333 38.17349 
1 1 1  -42   16   11 o   54.700   15.167   8.9361   6.8043   3.9392   10.442   12.624   8.9704   48.912   21.246   60.489   21.651 -11.57759 30.33392 
1 1 1  -42   16   12 o   78.865   13.070   22.427   6.9587   2.5728   10.658   37.181   9.1872   47.740   21.079  109.989   15.458 -62.24929 26.13902 
1 1 1  -42   16   13 o   42.406   13.682  -1.3868   6.8511  -0.5835   10.642  -1.9554   8.9532   44.574   20.255   40.238   18.398 4.335648 27.36347 
1 1 1  -42   16   14 o   55.823   15.081   6.8782   6.9528   19.200   10.765  -1.9403   9.1071   71.187   23.807   40.459   18.520 30.72771 30.16206 
1 1 1  -42   16   15 o   63.796   16.367   14.846   7.1731   16.921   11.305   13.448   9.2807   66.341   24.227   61.251   22.012 5.089691 32.73345 
1 1 1  -42   16   16 o   66.258   14.524   12.190   6.9940   30.885   10.903  -0.8795   9.1166   91.550   22.257   40.966   18.666 50.58379 29.04815 
1 1 1  -42   16   17 o   49.102   14.883   5.6463   7.1445   2.6149   10.925   7.9111   9.4435   46.758   20.949   51.446   21.147 -4.688297 29.76635 
1 1 1  -42   16   18 o   65.183   14.844   15.763   7.1544   2.9466   10.759   25.921   9.5788   46.572   20.832   83.794   21.153 -37.22231 29.68866 
1 1 1  -42   16   19 o   40.269   13.277  -4.4582   6.9612   3.7318   10.977  -9.9680   9.0032   47.425   21.140   33.112   16.070 14.31334 26.55482 
1 1 1  -42   17    1 o   41.690   13.247   0.5041   6.2208  -0.5710   9.3618   1.3542   8.3244   41.558   18.928   41.821   18.539 -0.2629967 26.49471 
1 1 1  -42   17    2 o   67.270   15.825   17.036   6.6643   17.892   10.425   16.444   8.6662   67.742   23.414   66.798   21.297 0.9437180 31.65090 
1 1 1  -42   17    3 o   45.836   13.734   0.1665   6.4173   12.217   9.8535  -8.7099   8.4568   58.562   22.365   33.111   15.948 25.45059 27.46901 
1 1 1  -42   17    4 o   40.786   13.210  -2.2864   6.4801   2.7288   10.095  -5.8014   8.4511   46.275   20.469   35.296   16.704 10.97904 26.41941 
1 1 1  -42   17    5 o   45.240   14.104   2.2803   6.6083   4.7761   10.369   0.5733   8.5754   48.890   21.204   41.591   18.602 7.299450 28.20716 
1 1 1  -42   17    6 o   44.784   13.996   0.7207   6.6005   7.6954   10.546  -3.7706   8.4629   52.523   22.031   37.045   17.269 15.47805 27.99260 
1 1 1  -42   17    7 o   41.027   13.344  -4.4014   6.8107   5.1098   10.664 -10.9532   8.8510   49.503   21.487   32.550   15.829 16.95305 26.68782 
1 1 1  -42   17    8 o   41.154   14.392 -22.0652   11.973 -46.2613   21.338 -10.9459   14.465   39.794   20.136   42.514   20.570 -2.719357 28.78491 
1 1 1  -42   17    9 o   48.964   16.617  -5.1989   12.194  -6.5180   20.921  -4.5203   15.006   51.322   24.809   46.606   22.114 4.715641 33.23460 
1 1 1  -42   17   10 o   55.804   16.610   7.1985   8.4449   0.0239   10.553   19.973   14.082   43.890   20.032   67.718   26.501 -23.82799 33.21998 
1 1 1  -42   17   11 o   48.190   14.477   3.3864   6.8463   12.391   10.441  -3.4047   9.0677   58.132   22.800   38.249   17.845 19.88276 28.95325 
1 1 1  -42   17   12 o   53.278   15.369   8.5804   6.9104   13.310   10.882   5.3839   8.9457   59.234   23.262   47.322   20.093 11.91195 30.73843 
1 1 1  -42   17   13 o   50.269   15.043   7.0599   7.0128   6.3343   10.940   7.5659   9.1367   50.207   21.778   50.331   20.758 -0.1238976 30.08594 
1 1 1  -42   17   14 o   37.617   12.472  -7.7809   7.0238 -22.6841   10.868   2.9096   9.2045   30.801   15.422   44.432   19.605 -13.63073 24.94359 
1 1 1  -41    0    1 o   32.536   14.066   2.8558   6.6552   2.8558   6.6552   2.8558   6.6552   32.536   19.892   32.536   19.892 0.000000 0.000000 
1 1 1  -41    0    2 o   88.237   11.304   23.508   6.8803   23.508   6.8803   23.508   6.8803   88.237   15.987   88.237   15.987 0.000000 0.000000 
1 1 1  -41    0    3 o   35.397   14.805   4.2417   6.9011   4.2417   6.9011   4.2417   6.9011   35.397   20.937   35.397   20.937 0.000000 0.000000 
1 1 1  -41    0    4 o   24.767   11.798  -2.4568   6.4227  -2.4568   6.4227  -2.4568   6.4227   24.767   16.684   24.767   16.684 0.000000 0.000000 
1 1 1  -41    0    5 f   23.297   11.323  -4.2939   6.5751  -4.2939   6.5751  -4.2939   6.5751   23.297   16.013   23.297   16.013 0.000000 0.000000 
1 1 1  -41    0    6 f   46.851   16.250   9.2340   6.9126   9.2340   6.9126   9.2340   6.9126   46.851   22.981   46.851   22.981 0.000000 0.000000 
1 1 1  -41    0    7 o   36.135   15.020   4.5528   7.0245   4.5528   7.0245   4.5528   7.0245   36.135   21.241   36.135   21.241 0.000000 0.000000 
1 1 1  -41    0    8 o   40.815   15.666   6.8393   6.8744   6.8393   6.8744   6.8393   6.8744   40.815   22.155   40.815   22.155 0.000000 0.000000 
1 1 1  -41    0    9 o  190.409   6.0731   99.397   8.7960   99.397   8.7960   99.397   8.7960  190.409   8.5887  190.409   8.5887 0.000000 0.000000 
1 1 1  -41    0   10 o   65.987   15.685   15.711   7.0650   15.711   7.0650   15.711   7.0650   65.987   22.182   65.987   22.182 0.000000 0.000000 
1 1 1  -41    0   11 o   81.280   12.977   20.903   7.0316   20.903   7.0316   20.903   7.0316   81.280   18.353   81.280   18.353 0.000000 0.000000 
1 1 1  -41    0   15 f   27.010   12.900  -3.0308   7.7750  -3.0308   7.7750  -3.0308   7.7750   27.010   18.243   27.010   18.243 0.000000 0.000000 
1 1 1  -41    0   16 o   59.552   17.008   14.015   7.5586   14.015   7.5586   14.015   7.5586   59.552   24.052   59.552   24.052 0.000000 0.000000 
1 1 1  -41    0   17 o  136.033   7.7440   51.745   7.9303   51.745   7.9303   51.745   7.9303  136.033   10.952  136.033   10.952 0.000000 0.000000 
1 1 1  -41    0   18 o   28.815   13.288  -0.1670   7.1297  -0.1670   7.1297  -0.1670   7.1297   28.815   18.792   28.815   18.792 0.000000 0.000000 
1 1 1  -41    0   19 f   55.677   16.891   12.629   7.3562   12.629   7.3562   12.629   7.3562   55.677   23.888   55.677   23.888 0.000000 0.000000 
1 1 1  -41    0   20 o   20.787   10.435  -8.8782   7.0323  -8.8782   7.0323  -8.8782   7.0323   20.787   14.758   20.787   14.758 0.000000 0.000000 
1 1 1  -41    0   21 o   25.570   12.208  -2.6663   6.9523  -2.6663   6.9523  -2.6663   6.9523   25.570   17.265   25.570   17.265 0.000000 0.000000 
1 1 1  -41    0   22 o   20.214   10.167  -8.9035   6.7891  -8.9035   6.7891  -8.9035   6.7891   20.214   14.379   20.214   14.379 0.000000 0.000000 
1 1 1  -41    0   23 o   21.158   10.571  -7.9334   6.9294  -7.9334   6.9294  -7.9334   6.9294   21.158   14.950   21.158   14.950 0.000000 0.000000 
1 1 1  -41    0   24 o   51.707   17.056   11.337   7.5068   11.337   7.5068   11.337   7.5068   51.707   24.121   51.707   24.121 0.000000 0.000000 
1 1 1  -41    0   25 o   35.653   15.063   4.3119   7.2753   4.3119   7.2753   4.3119   7.2753   35.653   21.302   35.653   21.302 0.000000 0.000000 
1 1 1  -41    0   26 o   32.029   14.316   1.8916   7.4966   1.8916   7.4966   1.8916   7.4966   32.029   20.246   32.029   20.246 0.000000 0.000000 
1 1 1  -41    0   27 o   32.211   14.472   1.7522   7.7717   1.7522   7.7717   1.7522   7.7717   32.211   20.467   32.211   20.467 0.000000 0.000000 
1 1 1  -41    0   28 o  146.181   7.9683   60.012   8.7798   60.012   8.7798   60.012   8.7798  146.181   11.269  146.181   11.269 0.000000 0.000000 
1 1 1  -41    0   29 o   43.734   16.866   8.3063   8.0034   8.3063   8.0034   8.3063   8.0034   43.734   23.853   43.734   23.853 0.000000 0.000000 
1 1 1  -41    0   30 o   20.345   10.362 -13.1812   8.0174 -13.1812   8.0174 -13.1812   8.0174   20.345   14.655   20.345   14.655 0.000000 0.000000 
1 1 1  -41    0   31 o   38.364   16.308   5.4574   8.6347   5.4574   8.6347   5.4574   8.6347   38.364   23.064   38.364   23.064 0.000000 0.000000 
1 1 1  -41    0   32 o   48.679   17.580   10.751   8.2533   10.751   8.2533   10.751   8.2533   48.679   24.862   48.679   24.862 0.000000 0.000000 
1 1 1  -41    0   33 o   17.586   9.1681 -26.2974   9.0128 -26.2974   9.0128 -26.2974   9.0128   17.586   12.966   17.586   12.966 0.000000 0.000000 
1 1 1  -41    0   34 o  104.978   13.367   34.284   9.6897   34.284   9.6897   34.284   9.6897  104.978   18.903  104.978   18.903 0.000000 0.000000 
1 1 1  -41    0   35 o   39.071   16.932   5.2424   9.6969   5.2424   9.6969   5.2424   9.6969   39.071   23.945   39.071   23.945 0.000000 0.000000 
1 1 1  -41    0   36 o   98.011   21.522   37.883   14.120   37.883   14.120   37.883   14.120   98.011   30.436   98.011   30.436 0.000000 0.000000 
1 1 1  -41    0   37 f   21.817   11.108 -13.7340   9.1788 -13.7340   9.1788 -13.7340   9.1788   21.817   15.710   21.817   15.710 0.000000 0.000000 
1 1 1  -41    0   38 o   60.452   22.026   18.964   13.022   18.964   13.022   18.964   13.022   60.452   31.150   60.452   31.150 0.000000 0.000000 
1 1 1  -41    0   39 o   31.074   14.693  -0.8622   9.6309  -0.8622   9.6309  -0.8622   9.6309   31.074   20.779   31.074   20.779 0.000000 0.000000 
1 1 1  -41    0   40 o   26.494   13.043  -5.8402   9.4523  -5.8402   9.4523  -5.8402   9.4523   26.494   18.446   26.494   18.446 0.000000 0.000000 
1 1 1  -41    1    1 o  122.761   7.9993   41.735   5.2659   35.099   7.1949   49.389   7.7279  112.122   11.875  133.401   10.720 -21.27979 15.99851 
1 1 1  -41    1    2 o   66.229   13.344   13.222   5.0105   12.620   7.1089   13.816   7.0633   64.810   19.041   67.648   18.698 -2.838196 26.68725 
1 1 1  -41    1    3 o  107.632   8.9924   32.463   5.2285   33.373   7.4977   31.600   7.2949  109.100   12.718  106.163   12.716 2.936676 17.98470 
1 1 1  -41    1    4 o  138.437   7.3559   52.864   5.4785   60.260   8.0058   46.351   7.5131  147.624   10.036  129.251   10.757 18.37300 14.71184 
1 1 1  -41    1    5 o  155.156   6.8276   66.600   5.7051   60.572   8.0813   72.589   8.0553  147.983   10.106  162.328   9.1833 -14.34467 13.65527 
1 1 1  -41    1    6 o  142.155   7.3289   56.000   5.6253   54.698   8.0537   57.241   7.8605  140.456   10.611  143.853   10.112 -3.397079 14.65787 
1 1 1  -41    1    7 o  181.634   6.3054   90.497   6.1745   99.527   8.9948   82.450   8.4911  190.236   8.7500  173.032   9.0813 17.20488 12.61086 
1 1 1  -41    1    8 o  153.065   7.0414   65.032   5.7961   58.617   8.2712   71.221   8.1247  145.414   10.526  160.716   9.3553 -15.30243 14.08275 
1 1 1  -41    1    9 o   50.587   12.006   3.1371   4.8945   14.614   7.2244  -6.5998   6.6544   69.468   18.791   31.706   14.948 37.76221 24.01172 
1 1 1  -41    1   10 o   60.530   13.053   10.664   4.7723   14.073   6.8768   7.4972   6.6282   68.268   18.278   52.792   18.641 15.47525 26.10686 
1 1 1  -41    1   11 o   57.353   14.828   6.0402   5.7365   2.0904   6.7987   15.802   10.688   42.883   17.814   71.822   23.710 -28.93834 29.65665 
1 1 1  -41    1   12 o   39.526   18.707 -10.1757   10.603   0.0000   0.0000 -10.1757   10.603  ?   ?    39.526   18.707      ?      ? 
1 1 1  -41    1   14 o   50.039   15.342  -1.1473   7.5031   7.2095   12.555  -5.7905   9.3582   60.146   24.513   39.932   18.457 20.21367 30.68476 
1 1 1  -41    1   15 o   43.652   13.501  -0.0466   5.8818   0.6995   7.3500  -1.3752   9.8081   42.033   18.039   45.270   20.093 -3.237167 27.00200 
1 1 1  -41    1   16 o   74.164   13.050   16.757   5.2060   17.323   7.5320   16.239   7.2038   75.314   18.614   73.014   18.296 2.299797 26.10019 
1 1 1  -41    1   17 o  123.400   8.5659   43.043   5.6593   49.040   7.9530   36.891   8.0548  132.541   11.104  114.260   13.046 18.28085 17.13183 
1 1 1  -41    1   18 o  112.873   8.9020   35.944   5.4237   34.031   7.6601   37.867   7.6805  109.735   12.918  116.012   12.252 -6.277115 17.80403 
1 1 1  -41    1   19 o   47.238   12.589   2.7302   5.1093  -5.5098   7.2699   10.772   7.1820   34.419   16.032   60.056   19.414 -25.63676 25.17734 
1 1 1  -41    1   20 o   52.504   13.630   6.4823   5.2569   11.072   7.7608   2.5909   7.1460   60.867   20.209   44.141   18.294 16.72607 27.25955 
1 1 1  -41    1   21 o   63.268   13.164   12.105   5.2213   5.5647   7.6167   17.903   7.1715   49.943   19.505   76.594   17.685 -26.65128 26.32878 
1 1 1  -41    1   22 o   62.840   13.459   11.988   5.0537   9.1434   7.1174   14.881   7.1770   56.266   19.352   69.415   18.710 -13.14862 26.91719 
1 1 1  -41    1   23 o   40.158   12.287  -0.3995   5.0453   3.0125   7.0537  -3.9736   7.2194   44.565   18.293   35.751   16.411 8.813992 24.57485 
1 1 1  -41    1   24 o   30.482   10.361  -9.3940   5.0094 -11.4257   7.2412  -7.5293   6.9372   29.449   14.320   31.514   14.977 -2.065411 20.72137 
1 1 1  -41    1   25 o   78.808   12.125   18.709   5.5352   31.985   8.0514   6.8115   7.6222  105.573   14.113   52.042   19.720 53.53070 24.24992 
1 1 1  -41    1   26 o   34.958   11.440  -6.9413   5.4053 -14.3382   7.7977  -0.0995   7.4995   29.101   14.299   40.816   17.862 -11.71490 22.88022 
1 1 1  -41    1   27 o  106.225   9.9343   32.586   5.6524   27.421   7.8517   38.142   8.1435   97.017   14.977  115.433   13.056 -18.41503 19.86860 
1 1 1  -41    1   28 o   53.221   14.123   7.5637   5.4983   7.5789   7.7732   7.5484   7.7784   53.246   19.971   53.195   19.973 0.5103302E-01 28.24507 
1 1 1  -41    1   29 o   54.421   12.107   4.8209   5.5205 -10.2522   8.0078   18.473   7.6209   32.207   15.514   76.636   18.593 -44.42916 24.21498 
1 1 1  -41    1   30 o   64.949   14.595   13.568   5.8539   16.661   8.3349   10.558   8.2235   71.292   20.525   58.606   20.756 12.68553 29.19044 
1 1 1  -41    1   31 o  102.194   11.249   31.406   6.2069   31.618   8.9677   31.211   8.5997  102.320   16.219  102.068   15.592 0.2516556 22.49849 
1 1 1  -41    1   32 o   70.272   14.528   16.080   6.3464   8.3675   8.9429   23.904   9.0078   54.886   21.218   85.659   19.849 -30.77297 29.05519 
1 1 1  -41    1   33 o   43.619   13.584   0.0848   6.2839   2.3963   8.6832  -2.4570   9.1053   45.954   19.661   41.285   18.751 4.669220 27.16860 
1 1 1  -41    1   34 o  117.893   11.254   42.279   6.6891   55.517   9.5546   29.555   9.3676  138.837   12.736   96.948   18.557 41.88892 22.50717 
1 1 1  -41    1   35 f   60.215   16.711   10.154   7.4701   8.5353   8.9985   13.743   13.399   55.077   21.286   65.353   25.765 -10.27574 33.42101 
1 1 1  -41    1   36 o   39.110   13.321  -9.6100   7.7021 -11.4678   9.4750  -5.9910   13.224   33.936   16.474   44.284   20.938 -10.34820 26.64163 
1 1 1  -41    1   37 o   56.456   21.459   11.049   9.0442   0.0000   0.0000   11.049   9.0442  ?   ?    56.456   21.459      ?      ? 
1 1 1  -41    1   38 o   43.619   13.877  -0.3115   6.9133   2.6750   9.8481  -3.2133   9.7072   46.661   20.443   40.577   18.770 6.083969 27.75328 
1 1 1  -41    1   39 o   73.568   17.121   17.808   7.7795   10.297   9.4158   33.964   13.809   55.922   21.729   91.214   26.465 -35.29197 34.24250 
1 1 1  -41    1   40 o   41.272   13.732  -3.3276   7.6233  -0.8890   9.1997  -8.6712   13.618   40.606   18.597   41.939   20.209 -1.332279 27.46382 
1 1 1  -41    2    1 o   43.339   12.336   1.9723   4.7039   6.4494   6.6659  -2.4685   6.6389   50.628   18.587   36.050   16.226 14.57799 24.67284 
1 1 1  -41    2    2 o  146.833   6.8814   59.825   5.4192   51.553   7.6584   68.121   7.6695  136.394   10.391  157.271   9.0247 -20.87663 13.76285 
1 1 1  -41    2    3 o   71.925   12.746   15.586   4.9910   18.648   7.1184   12.626   6.9997   79.045   17.158   64.805   18.853 14.24046 25.49199 
1 1 1  -41    2    4 o  246.740   7.8847  166.896   10.513   0.0000   0.0000  166.896   10.513  ?   ?   246.740   7.8847      ?      ? 
1 1 1  -41    2    5 o   62.616   13.305   11.488   5.0207   7.7036   7.0235   15.444   7.1797   53.758   19.167   71.475   18.460 -17.71697 26.61076 
1 1 1  -41    2    6 o  144.946   7.3188   58.101   5.6208   74.239   8.2369   44.037   7.6894  164.105   9.2886  125.787   11.313 38.31829 14.63753 
1 1 1  -41    2    7 o   73.539   12.624   16.114   5.1351   22.859   7.4843   10.115   7.0588   88.076   16.327   59.003   19.258 29.07337 25.24764 
1 1 1  -41    2    8 o  134.096   7.6899   50.009   5.5472   49.279   8.2045   50.623   7.5290  133.008   11.415  135.184   10.307 -2.176300 15.37980 
1 1 1  -41    2    9 o  122.679   8.2758   42.191   5.4531   39.754   8.0090   44.296   7.4454  119.107   12.444  126.251   10.914 -7.143494 16.55152 
1 1 1  -41    2   10 o   82.236   14.082   18.977   6.0474   13.980   7.4563   28.581   10.338   67.860   19.375   96.613   20.439 -28.75342 28.16303 
1 1 1  -41    2   11 o   43.371   13.065  -6.0436   6.6353   7.8446   8.8329 -24.0315   10.052   56.226   21.247   30.515   15.209 25.71083 26.12936 
1 1 1  -41    2   12 o   52.520   14.995   4.5974   6.8067   8.5428   9.0462  -0.5511   10.334   57.653   21.560   47.387   20.847 10.26620 29.99048 
1 1 1  -41    2   13 f   40.588   18.863  -6.7950   9.9757   0.0000   0.0000  -6.7950   9.9757  ?   ?    40.588   18.863      ?      ? 
1 1 1  -41    2   14 o  183.330   9.5698   96.351   9.3176   85.901   14.010  104.640   12.477  173.383   14.954  193.276   11.946 -19.89281 19.13968 
1 1 1  -41    2   15 o  116.915   13.826   41.327   8.3377   39.505   12.965   42.613   10.888  112.556   22.105  121.274   16.614 -8.718010 27.65237 
1 1 1  -41    2   16 o  166.569   6.6597   76.961   5.9729   73.164   8.6765   80.382   8.2348  162.457   9.8837  170.681   8.9285 -8.224487 13.31941 
1 1 1  -41    2   17 o   98.249   10.172   27.548   5.3994   27.564   7.7080   27.532   7.5659   98.227   14.522   98.271   14.248 -0.4306793E-01 20.34404 
1 1 1  -41    2   18 o   58.344   12.660   8.2661   5.3119   18.326   7.5485  -1.6021   7.4763   77.443   18.324   39.244   17.474 38.19857 25.31981 
1 1 1  -41    2   19 o   63.874   13.737   12.477   5.1714   11.694   7.5462   13.171   7.1010   62.195   19.878   65.552   18.966 -3.357376 27.47442 
1 1 1  -41    2   20 o   91.853   11.163   24.576   5.2837   33.728   7.8809   17.104   7.1213  108.904   13.392   74.801   17.864 34.10310 22.32644 
1 1 1  -41    2   21 o   40.348   12.130  -0.6772   5.0136  -7.0038   7.3018   4.9661   6.8962   33.065   15.610   47.631   18.572 -14.56641 24.26078 
1 1 1  -41    2   22 f   58.755   13.742   10.264   5.0763   10.448   7.2404   10.087   7.1190   59.184   19.514   58.326   19.355 0.8576851 27.48450 
1 1 1  -41    2   23 o   47.831   13.148   3.9663   5.1649  -0.7316   7.1855   8.9883   7.4292   39.443   17.367   56.219   19.746 -16.77578 26.29657 
1 1 1  -41    2   24 o   65.340   13.018   12.612   5.3013   5.0340   7.4283   20.478   7.5680   48.658   19.184   82.023   17.602 -33.36513 26.03561 
1 1 1  -41    2   25 o   67.772   13.795   14.194   5.4709   18.498   7.8377   10.105   7.6402   77.080   18.950   58.464   20.053 18.61591 27.59056 
1 1 1  -41    2   26 o   56.024   13.859   8.3852   5.4666   13.696   7.9048   3.5172   7.5680   65.957   20.242   46.091   18.937 19.86535 27.71899 
1 1 1  -41    2   27 o   87.892   12.487   23.780   5.7222   22.681   8.1794   24.834   8.0081   85.499   18.259   90.285   17.039 -4.785896 24.97435 
1 1 1  -41    2   28 o   91.870   12.159   25.527   5.9060   23.660   8.3527   27.393   8.3518   87.325   18.287   96.414   16.031 -9.089233 24.31892 
1 1 1  -41    2   29 o  210.308   6.6509  123.450   7.5526  129.537   10.732  117.476   10.631  215.582   9.2125  205.034   9.5952 10.54764 13.30180 
1 1 1  -41    2   30 o   88.323   13.049   24.741   6.1957   15.724   8.6077   34.436   8.9251   68.954   21.116  107.692   15.337 -38.73777 26.09844 
1 1 1  -41    2   31 o   48.478   13.966   4.1677   6.0239   8.9236   8.4517  -0.7431   8.5882   55.249   20.805   41.707   18.637 13.54151 27.93190 
1 1 1  -41    2   32 o  132.607   9.4799   51.311   6.7719   47.708   9.6724   54.776   9.4842  127.574   14.031  137.639   12.752 -10.06455 18.95982 
1 1 1  -41    2   33 o   37.111   12.333  -6.6728   6.3088  -5.7624   9.0956  -7.5168   8.7579   38.238   17.851   35.984   17.021 2.254353 24.66534 
1 1 1  -41    2   34 o  129.701   14.379   59.590   8.5344   74.373   10.763   34.550   14.007  160.952   12.375   98.450   25.960 62.50198 28.75824 
1 1 1  -41    2   35 o   59.743   16.433   6.8057   7.8125  -0.9717   9.6749   21.381   13.244   43.563   19.600   75.924   26.382 -32.36098 32.86559 
1 1 1  -41    2   36 o   64.377   16.532   15.759   7.6007   11.595   12.823   18.014   9.4371   58.989   24.482   69.764   22.222 -10.77413 33.06368 
1 1 1  -41    2   37 o   58.703   16.533   11.713   7.4566   14.126   13.489   10.651   8.9480   61.470   25.271   55.935   21.325 5.535049 33.06640 
1 1 1  -41    2   38 o  120.486   15.122   55.694   8.3459   34.302   14.712   65.846   10.135   91.487   27.519  149.485   12.546 -57.99799 30.24379 
1 1 1  -41    2   39 o   41.099   13.242  -1.4020   6.5472   1.7481   9.3010  -4.4960   9.2178   44.155   19.584   38.043   17.828 6.111702 26.48315 
1 1 1  -41    2   40 o   68.078   25.211   19.986   12.309   19.986   12.309   0.0000   0.0000   68.078   25.211  ?   ?       ?      ? 
1 1 1  -41    3    1 o  154.355   6.7474   65.810   5.6182   65.741   8.1829   65.872   7.7274  154.178   9.8219  154.531   9.2540 -0.3535614 13.49470 
1 1 1  -41    3    2 o   86.939   11.329   23.461   5.0239   12.947   7.3211   32.818   6.9068   65.482   19.348  108.397   11.792 -42.91484 22.65776 
1 1 1  -41    3    3 o   39.824   12.103  -0.0697   4.7703  -2.5592   6.6980   2.4928   6.7956   36.109   16.271   43.538   17.922 -7.428185 24.20684 
1 1 1  -41    3    4 o   45.864   12.983   3.5035   4.9316   5.4689   7.0542   1.6247   6.8971   49.324   18.903   42.404   17.803 6.920197 25.96695 
1 1 1  -41    3    5 o  132.077   7.5256   48.187   5.2970   59.852   7.7885   38.148   7.2252  147.151   9.7950  117.003   11.428 30.14812 15.05119 
1 1 1  -41    3    6 o   44.420   12.657   3.1022   4.7287   1.2049   6.8141   4.8647   6.5675   41.553   17.584   47.288   18.210 -5.734974 25.31422 
1 1 1  -41    3    7 o   51.403   12.434   5.1414   4.7801   13.289   7.0510  -1.7883   6.5026   66.319   18.808   36.486   16.267 29.83288 24.86714 
1 1 1  -41    3    8 o  101.220   9.2769   28.543   5.0476   32.110   7.6139   25.745   6.7421  106.782   13.195   95.658   13.043 11.12347 18.55378 
1 1 1  -41    3    9 o   69.404   14.878   14.227   5.9027   12.537   7.4152   17.151   9.7522   64.522   19.566   74.286   22.419 -9.763924 29.75632 
1 1 1  -41    3   10 o   51.929   14.882   4.3313   6.5715   1.4020   8.9933   7.6869   9.6258   46.858   20.027   57.001   22.020 -10.14359 29.76480 
1 1 1  -41    3   11 o   84.016   14.649   21.416   6.7220   15.266   9.0435   29.009   10.048   70.436   21.657   97.597   19.731 -27.16112 29.29759 
1 1 1  -41    3   12 o   82.336   13.283   19.791   5.7424   26.599   9.1035   15.292   7.4005   93.876   18.603   70.795   18.964 23.08132 26.56545 
1 1 1  -41    3   13 o   75.948   15.892   15.931   6.3316   24.189   12.476   13.066   7.3482   86.311   25.187   65.584   19.385 20.72620 31.78336 
1 1 1  -41    3   14 o   76.896   17.452   18.506   7.9632   19.561   13.573   17.953   9.8334   78.225   26.729   75.567   22.446 2.658058 34.90359 
1 1 1  -41    3   15 f   88.414   16.533   26.275   8.1253   18.750   13.602   30.450   10.132   76.874   26.734   99.954   19.459 -23.07970 33.06562 
1 1 1  -41    3   16 o   52.817   13.773   6.6201   5.3542   10.621   7.7715   3.0051   7.3871   60.159   20.227   45.474   18.699 14.68560 27.54607 
1 1 1  -41    3   17 f  127.267   8.2858   45.512   5.6412   37.786   7.8628   53.707   8.0980  115.762   12.570  138.772   10.799 -23.01063 16.57160 
1 1 1  -41    3   18 f   41.089   12.532  -0.8808   5.2538  -5.2422   7.2009   4.0835   7.6825   34.476   16.024   47.701   19.272 -13.22524 25.06341 
1 1 1  -41    3   19 o  177.192   6.7277   87.323   6.3842   73.437   8.9396  101.775   9.1203  162.439   10.185  191.945   8.7932 -29.50572 13.45531 
1 1 1  -41    3   20 o  151.942   7.4293   64.224   6.0879   67.453   8.9570   61.451   8.2998  155.408   10.666  148.476   10.345 6.931656 14.85859 
1 1 1  -41    3   21 o   79.409   12.899   18.958   5.4123   23.609   8.2476   15.440   7.1726   88.075   17.939   70.744   18.539 17.33108 25.79730 
1 1 1  -41    3   22 o   96.630   10.455   26.877   5.4545   26.686   7.8578   27.054   7.5776   96.163   15.122   97.096   14.442 -0.9329910 20.91054 
1 1 1  -41    3   23 o   55.632   13.541   8.1607   5.2959   2.7844   7.4995   13.508   7.4795   45.151   18.729   66.113   19.562 -20.96211 27.08226 
1 1 1  -41    3   24 o  135.598   8.1989   51.635   5.9382   62.486   8.6420   41.929   8.1733  149.473   10.700  121.723   12.426 27.74964 16.39783 
1 1 1  -41    3   25 o   78.677   13.228   19.254   5.5381   19.493   7.9972   19.034   7.6767   79.026   18.968   78.329   18.442 0.6977005 26.45597 
1 1 1  -41    3   26 o  126.417   8.7896   45.535   5.9830   44.751   8.7861   46.212   8.1699  125.103   12.997  127.731   11.837 -2.627968 17.57920 
1 1 1  -41    3   27 o   36.488   11.958  -4.9202   5.6142  -5.8808   8.1699  -4.0608   7.7279   36.206   16.908   36.769   16.915 -0.5623016 23.91626 
1 1 1  -41    3   28 o   55.991   12.729   5.5555   5.7708  -7.8422   8.1395   19.097   8.1831   34.430   16.322   77.551   19.537 -43.12055 25.45787 
1 1 1  -41    3   29 o  158.091   7.9696   70.859   6.8035   67.679   9.5884   74.084   9.6550  154.369   11.495  161.813   11.042 -7.444382 15.93920 
1 1 1  -41    3   30 o  171.856   7.6271   83.477   7.0668   91.143   10.375   76.841   9.6523  179.242   10.711  164.470   10.861 14.77234 15.25420 
1 1 1  -41    3   31 o   99.236   12.381   30.668   6.4546   27.299   9.1850   33.955   9.0723   92.153   19.074  106.318   15.791 -14.16570 24.76231 
1 1 1  -41    3   32 o   36.285   12.033  -9.3988   6.2653  -0.0908   8.8969 -18.5562   8.8246   43.282   19.177   29.288   14.540 13.99387 24.06567 
1 1 1  -41    3   33 o  136.677   11.637   52.601   8.2918   43.253   10.213   70.676   14.202  120.610   15.671  152.745   17.207 -32.13493 23.27342 
1 1 1  -41    3   34 o   52.648   15.793   1.3646   7.8038  -5.2693   9.7425   13.241   13.035   40.100   18.638   65.196   25.502 -25.09597 31.58665 
1 1 1  -41    3   35 o   48.566   15.208   0.3080   7.3394   8.4234   13.173  -3.3452   8.8382   57.884   24.469   39.248   18.068 18.63604 30.41678 
1 1 1  -41    3   36 o   49.729   15.214   5.3062   7.5509   0.5854   12.855   7.7933   9.3302   47.787   21.921   51.671   21.104 -3.883614 30.42890 
1 1 1  -41    3   37 o  135.777   9.9597   56.756   7.1573   48.703   10.615   63.470   9.6921  124.977   15.718  146.577   12.237 -21.60065 19.91935 
1 1 1  -41    3   38 o   86.325   17.925   26.738   8.2469   35.698   15.613   23.271   9.7125   91.873   28.490   80.777   21.762 11.09595 35.85038 
1 1 1  -41    3   39 o   41.833   14.075  -4.8324   7.9475  -8.5000   15.316  -3.4810   9.2972   44.821   21.556   38.845   18.105 5.976074 28.15091 
1 1 1  -41    3   40 o   37.760   18.387 -11.8469   12.056 -11.8469   12.056   0.0000   0.0000   37.760   18.387  ?   ?       ?      ? 
1 1 1  -41    4    1 f   58.268   11.573   7.8149   4.7413   19.294   6.9824  -2.0068   6.4587   80.507   16.602   36.030   16.127 44.47652 23.14523 
1 1 1  -41    4    2 o   56.201   13.379   9.0086   4.8105   8.5901   6.9580   9.3918   6.6581   55.429   19.130   56.973   18.709 -1.544418 26.75771 
1 1 1  -41    4    3 o   46.340   12.902   4.1621   4.7777   2.7857   6.8587   5.4597   6.6592   44.122   18.066   48.557   18.424 -4.434742 25.80345 
1 1 1  -41    4    4 o   63.883   12.923   12.236   4.8117   8.7605   6.8399   15.641   6.7702   55.710   18.975   72.055   17.551 -16.34436 25.84696 
1 1 1  -41    4    5 o   55.209   13.222   8.5129   4.8316   5.4968   7.1101   11.101   6.5858   49.415   18.968   61.003   18.426 -11.58840 26.44471 
1 1 1  -41    4    6 o   57.531   13.381   9.4505   4.8750   11.724   6.9844   7.2908   6.8075   62.555   18.994   52.507   18.854 10.04803 26.76233 
1 1 1  -41    4    7 o   58.510   13.281   10.037   4.7515   9.7627   7.0658   10.263   6.4199   58.099   19.283   58.920   18.269 -0.8210335 26.56246 
1 1 1  -41    4    8 o   35.757   11.838  -6.5985   5.6701  -5.4577   7.4236  -8.1959   8.7846   35.072   16.290   36.442   17.179 -1.369297 23.67509 
1 1 1  -41    4    9 o   86.337   14.535   23.084   6.7023   25.541   9.4312   20.577   9.5265   91.452   19.669   81.222   21.404 10.23083 29.06900 
1 1 1  -41    4   10 o   69.400   15.626   14.723   6.6322   12.838   9.3458   16.635   9.4133   65.653   22.181   73.146   22.015 -7.493057 31.25129 
1 1 1  -41    4   11 o  125.092   9.6132   45.026   6.0796   41.959   10.421   46.609   7.4856  120.729   15.973  129.454   10.701 -8.724991 19.22634 
1 1 1  -41    4   12 o   96.670   10.029   26.502   5.1977   27.106   7.8887   26.039   6.9095   97.358   14.995   95.983   13.322 1.375328 20.05804 
1 1 1  -41    4   13 o   43.936   12.307  -1.1488   5.0773   9.7922   7.6879  -9.6123   6.7616   58.460   20.112   29.412   14.190 29.04843 24.61375 
1 1 1  -41    4   14 o   57.361   16.382   5.0941   7.6582   12.615   12.903   1.0036   9.5156   67.449   25.633   47.273   20.408 20.17601 32.76463 
1 1 1  -41    4   15 o   56.359   16.213   3.9869   7.8004   12.836   12.603  -1.5079   9.9312   67.431   25.403   45.287   20.154 22.14367 32.42633 
1 1 1  -41    4   16 o   46.667   13.270   3.5009   5.2245   0.7261   7.2776   6.4517   7.5047   41.775   17.939   51.558   19.560 -9.782890 26.54060 
1 1 1  -41    4   17 o  128.809   8.3254   46.317   5.7772   51.394   8.5231   42.002   7.8578  135.351   11.653  122.266   11.893 13.08447 16.65086 
1 1 1  -41    4   18 o   96.206   11.052   27.514   5.4942   22.363   7.9577   32.206   7.5949   85.882   17.735  106.531   13.193 -20.64837 22.10398 
1 1 1  -41    4   19 o   84.870   12.047   21.557   5.4134   27.689   7.8071   15.879   7.5127   98.140   14.722   71.601   19.075 26.53886 24.09495 
1 1 1  -41    4   20 o   56.573   13.831   9.1133   5.3297   5.3825   7.9810   12.116   7.1604   50.215   19.858   62.931   19.257 -12.71563 27.66171 
1 1 1  -41    4   21 o  122.185   8.7221   42.158   5.7480   42.349   8.3923   41.990   7.8889  122.285   12.700  122.085   11.958 0.2006989 17.44411 
1 1 1  -41    4   22 o  112.871   9.9188   37.267   5.8474   27.418   8.3991   46.530   8.1457   97.109   16.006  128.632   11.719 -31.52340 19.83766 
1 1 1  -41    4   23 o   78.016   13.396   19.441   5.7642   12.764   8.5346   25.042   7.8162   64.496   21.182   91.537   16.404 -27.04171 26.79160 
1 1 1  -41    4   24 o   72.881   13.700   16.782   5.5678   13.416   8.1041   19.792   7.6626   65.593   20.556   80.170   18.115 -14.57703 27.39915 
1 1 1  -41    4   25 o   61.103   14.189   11.226   5.4361   13.965   8.1078   8.9894   7.3269   66.508   20.515   55.697   19.606 10.81102 28.37743 
1 1 1  -41    4   26 o   53.867   14.197   7.8739   5.5316   7.4904   8.1910   8.1956   7.5004   53.592   20.410   54.143   19.740 -0.5510368 28.39406 
1 1 1  -41    4   27 o   72.501   14.147   16.906   5.8228   13.373   8.4766   20.063   8.0124   65.051   21.097   79.952   18.853 -14.90021 28.29341 
1 1 1  -41    4   28 o   64.407   13.832   12.192   5.9958   2.9881   8.4913   21.345   8.4675   46.820   19.710   81.994   19.412 -35.17493 27.66435 
1 1 1  -41    4   29 o   78.248   14.190   20.063   6.0796   17.022   8.7287   22.929   8.4727   71.732   21.106   84.763   18.971 -13.03083 28.37956 
1 1 1  -41    4   30 o   55.806   14.647   8.9522   6.0688   5.1155   8.6928   12.600   8.4765   49.410   20.297   62.203   21.124 -12.79357 29.29452 
1 1 1  -41    4   31 f  168.356   8.0046   81.596   7.2005   70.271   10.381   92.097   9.9961  156.185   12.300  180.526   10.247 -24.34070 16.00913 
1 1 1  -41    4   32 o   59.611   22.147   10.775   9.5145   10.775   9.5145   0.0000   0.0000   59.611   22.147  ?   ?       ?      ? 
1 1 1  -41    4   33 o  112.739   14.145   39.077   8.1645   35.503   10.213   45.405   13.589  108.110   17.483  117.368   22.241 -9.257957 28.28993 
1 1 1  -41    4   34 o   36.126   12.487 -15.3359   7.4479 -10.4662   12.391 -18.0903   9.3191   41.576   19.831   30.676   15.178 10.90014 24.97322 
1 1 1  -41    4   35 o   35.871   12.273 -10.5905   6.9279  -9.5113   11.401 -11.2223   8.7234   39.240   18.800   32.501   15.784 6.738510 24.54696 
1 1 1  -41    4   36 o   48.297   14.406   5.2668   6.5738   8.6447   9.1383   1.6441   9.4636   52.584   21.098   44.010   19.623 8.574295 28.81291 
1 1 1  -41    4   37 o   54.831   14.601   6.4751   6.9158   18.385   9.8894  -4.9241   9.6750   70.648   22.775   39.014   18.277 31.63397 29.20176 
1 1 1  -41    4   38 o   56.163   15.323   9.1430   6.8734   15.963   10.156   3.3800   9.3361   65.792   23.089   46.534   20.151 19.25804 30.64582 
1 1 1  -41    4   39 o   40.613   19.580  -9.2815   12.820   0.0000   0.0000  -9.2815   12.820  ?   ?    40.613   19.580      ?      ? 
1 1 1  -41    5    1 o   63.002   13.138   11.978   4.7723   11.737   7.0347   12.183   6.4957   62.468   19.083   63.537   18.064 -1.068840 26.27696 
1 1 1  -41    5    2 o   51.501   13.146   6.8837   4.7019   8.1617   6.8036   5.7153   6.5054   54.272   18.906   48.731   18.272 5.540459 26.29226 
1 1 1  -41    5    3 o   40.639   11.731  -0.9860   4.7755  -9.8205   6.9383   6.9663   6.5828   29.827   14.386   51.450   18.533 -21.62265 23.46124 
1 1 1  -41    5    4 o   42.129   12.521   1.6077   4.8352   0.8187   7.1081   2.2872   6.5966   41.629   17.799   42.628   17.614 -0.9992561 25.04117 
1 1 1  -41    5    5 o   37.005   11.589  -1.4344   4.5721  -0.1694   6.8279  -2.4627   6.1560   39.498   17.169   34.512   15.571 4.986328 23.17797 
1 1 1  -41    5    6 o   58.884   13.405   10.212   4.8559   9.3932   7.0958   10.933   6.6596   57.234   19.327   60.533   18.580 -3.298653 26.80969 
1 1 1  -41    5    7 o   79.351   14.829   19.455   6.4549   17.304   8.7844   21.980   9.5167   74.668   20.930   84.034   21.013 -9.366203 29.65814 
1 1 1  -41    5    8 o   51.165   14.132   3.9207   6.1485  -2.9797   8.6942   10.824   8.6963   40.973   18.494   61.356   21.374 -20.38226 28.26426 
1 1 1  -41    5    9 o   74.836   14.960   17.452   6.6521   10.624   9.5816   23.806   9.2426   61.683   22.338   87.990   19.905 -26.30616 29.91982 
1 1 1  -41    5   10 o  139.551   15.450   55.901   11.651   55.901   11.651   0.0000   0.0000  139.551   15.450  ?   ?       ?      ? 
1 1 1  -41    5   11 o   80.512   11.320   15.901   5.5893   40.622   9.0712   0.7718   7.0964  119.547   14.042   41.477   17.760 78.07059 22.64085 
1 1 1  -41    5   12 o   75.908   12.922   18.201   5.3059   13.043   8.1745   21.956   6.9748   65.484   20.664   86.332   15.522 -20.84850 25.84423 
1 1 1  -41    5   13 o   70.708   12.205   15.765   5.3080   4.6913   8.1306   23.990   7.0073   49.628   19.905   91.787   14.128 -42.15963 24.40901 
1 1 1  -41    5   14 o   52.182   15.021   1.0367   7.9288 -17.2838   12.964   11.984   10.022   40.193   19.454   64.171   22.893 -23.97768 30.04216 
1 1 1  -41    5   15 o   79.564   16.517   20.965   8.1194   11.282   12.675   27.703   10.573   65.150   25.240   93.977   21.312 -28.82671 33.03420 
1 1 1  -41    5   16 o   46.619   13.965   1.8959   6.1925   4.9540   7.7798  -3.3919   10.230   49.295   19.570   43.943   19.926 5.352722 27.92924 
1 1 1  -41    5   17 o   78.879   12.572   18.797   5.2843   24.616   7.7690   13.786   7.2086   90.848   16.430   66.909   19.032 23.93967 25.14327 
1 1 1  -41    5   18 o   51.883   13.504   6.7385   5.2176   2.4763   7.8614   10.094   6.9753   45.468   19.044   58.299   19.150 -12.83075 27.00723 
1 1 1  -41    5   19 f   56.954   13.777   9.1909   5.1264   11.699   7.6219   7.1187   6.9275   62.065   19.993   51.843   18.961 10.22276 27.55364 
1 1 1  -41    5   20 o   45.433   13.175   3.0184   5.1802   4.8714   7.6323   1.4357   7.0537   48.764   19.376   42.101   17.857 6.663021 26.34967 
1 1 1  -41    5   21 o   52.783   13.729   6.8815   5.3922   2.6201   7.8073   10.768   7.4562   45.561   19.022   60.005   19.803 -14.44326 27.45900 
1 1 1  -41    5   22 o   98.455   11.140   28.878   5.6762   24.117   8.2719   33.115   7.8032   89.079   17.807  107.831   13.392 -18.75182 22.28099 
1 1 1  -41    5   23 o  137.630   8.5079   54.698   6.1533   42.136   8.9262   66.074   8.4940  121.389   13.608  153.872   10.216 -32.48281 17.01586 
1 1 1  -41    5   24 o   76.859   13.761   18.575   5.7148   19.485   8.3243   17.764   7.8595   78.561   19.657   75.158   19.263 3.402863 27.52227 
1 1 1  -41    5   25 o   59.521   14.145   10.571   5.6437   5.8971   8.2626   14.658   7.7271   51.006   20.194   68.036   19.813 -17.03015 28.29040 
1 1 1  -41    5   26 o   59.831   13.523   10.483   5.6343   1.9263   8.4610   17.300   7.5523   45.479   19.431   74.183   18.813 -28.70348 27.04609 
1 1 1  -41    5   27 o   40.958   12.914  -1.3968   5.8412  -3.5930   8.4437   0.6188   8.0891   39.004   17.846   42.911   18.670 -3.906685 25.82727 
1 1 1  -41    5   28 o  105.454   11.927   34.511   6.3376   23.080   8.9481   46.017   8.9776   84.657   19.897  126.251   13.159 -41.59406 23.85470 
1 1 1  -41    5   29 o   51.394   14.531   6.0910   6.2476   2.6910   9.0093   9.2406   8.6712   46.693   20.003   56.095   21.083 -9.402134 29.06221 
1 1 1  -41    5   30 o   69.021   15.088   15.941   6.3802   11.602   9.0989   20.138   8.9488   60.429   21.786   77.613   20.880 -17.18379 30.17653 
1 1 1  -41    5   31 o   34.155   11.606 -11.1363   6.2066  -5.4893   9.2527 -15.7557   8.3686   38.766   18.066   29.545   14.575 9.220156 23.21209 
1 1 1  -41    5   32 o   92.808   16.187   27.926   7.9355   22.912   10.078   36.104   12.872   82.599   22.133  103.017   23.627 -20.41760 32.37398 
1 1 1  -41    5   33 o   44.258   13.348  -5.4046   6.6610   10.176   9.6684 -19.4809   9.1898   58.729   22.220   29.786   14.796 28.94303 26.69545 
1 1 1  -41    5   34 o  150.401   10.917   66.387   8.4022   74.257   14.668   62.543   10.250  154.546   17.565  146.256   12.970 8.289658 21.83435 
1 1 1  -41    5   35 o   56.745   14.113   8.6292   6.6992  -4.9545   9.8273   20.422   9.1566   38.841   18.267   74.649   21.519 -35.80825 28.22700 
1 1 1  -41    5   36 o   94.042   13.873   31.136   6.8877   23.612   10.343   37.131   9.2323   79.137   22.888  108.947   15.682 -29.80972 27.74523 
1 1 1  -41    5   37 o   82.322   15.487   24.290   7.0944   20.305   10.051   28.248   10.015   74.377   22.825   90.267   20.939 -15.89022 30.97397 
1 1 1  -41    5   38 o  137.260   10.116   57.713   7.4985   56.742   10.389   58.769   10.834  136.281   14.107  138.239   14.504 -1.957275 20.23301 
1 1 1  -41    5   39 o   56.168   16.799   7.5519   9.5725  -5.0991   13.167   21.734   13.941   43.304   20.596   69.032   26.546 -25.72812 33.59885 
1 1 1  -41    6    1 o   58.404   13.308   10.127   4.9037   6.9393   7.5063   12.500   6.4769   52.562   19.643   64.246   17.959 -11.68404 26.61520 
1 1 1  -41    6    2 o   63.018   13.326   11.666   4.9250   15.149   7.4382   8.9467   6.5720   70.302   19.088   55.733   18.601 14.56851 26.65294 
1 1 1  -41    6    3 f  172.771   6.3663   81.532   5.9120   91.416   8.9288   73.816   7.8891  181.967   9.0806  163.574   8.9254 18.39319 12.73260 
1 1 1  -41    6    4 o   97.201   10.332   27.790   5.1553   23.980   7.8171   30.722   6.8581   89.782   16.728  104.620   12.131 -14.83781 20.66392 
1 1 1  -41    6    5 o   79.684   13.773   19.212   5.8817   15.966   7.8539   23.356   8.8753   72.015   19.640   87.353   19.316 -15.33804 27.54668 
1 1 1  -41    6    6 o  114.605   10.911   37.786   6.7425   39.572   9.4083   35.901   9.6677  117.667   14.797  111.544   16.039 6.123383 21.82220 
1 1 1  -41    6    7 o   46.850   13.981   1.7638   6.1312  -0.9399   8.4878   4.7140   8.8662   42.677   18.829   51.024   20.672 -8.347046 27.96181 
1 1 1  -41    6    8 o   72.525   15.216   16.510   6.6159   11.396   9.7538   20.867   9.0037   63.080   22.577   81.970   20.407 -18.88987 30.43242 
1 1 1  -41    6    9 o  132.387   8.1440   50.058   5.6458   44.019   8.8152   54.258   7.3514  124.821   13.069  139.953   9.7207 -15.13169 16.28802 
1 1 1  -41    6   10 o   98.689   10.979   28.741   5.5817   25.897   8.5315   30.870   7.3804   92.868   17.646  104.510   13.069 -11.64286 21.95853 
1 1 1  -41    6   11 o   45.812   18.284   3.9238   6.8239   0.0000   0.0000   3.9238   6.8239  ?   ?    45.812   18.284      ?      ? 
1 1 1  -41    6   12 o   64.707   13.015   10.654   5.2550   22.036   8.3837   3.2885   6.7444   84.899   18.773   44.516   18.032 40.38263 26.03037 
1 1 1  -41    6   13 o   52.790   13.217   7.2352   5.0967   1.4576   7.8900   11.373   6.6767   44.224   18.826   61.357   18.557 -17.13314 26.43472 
1 1 1  -41    6   14 o   99.611   16.605   29.814   8.7211   44.347   14.369   21.338   10.974  117.963   23.368   81.258   23.596 36.70471 33.20919 
1 1 1  -41    6   15 o   79.355   17.868   20.359   8.4763   21.883   13.632   19.399   10.823   81.163   26.776   77.546   23.666 3.617622 35.73537 
1 1 1  -41    6   16 o   44.790   13.688  -6.2135   6.3911 -14.7474   7.9563   9.3086   10.730   29.442   14.462   60.138   23.244 -30.69648 27.37564 
1 1 1  -41    6   17 o   72.795   13.106   16.770   5.3769   10.669   7.9520   21.909   7.2983   60.041   20.459   85.548   16.384 -25.50698 26.21124 
1 1 1  -41    6   18 o   40.274   12.353  -0.8836   5.0923   3.4343   7.5639  -4.4632   6.8869   46.286   18.964   34.262   15.835 12.02406 24.70629 
1 1 1  -41    6   19 o  123.475   8.5808   43.021   5.7028   42.728   8.4228   43.268   7.7492  122.845   12.688  124.104   11.555 -1.258850 17.16160 
1 1 1  -41    6   20 o  136.990   8.1373   52.506   6.0119   56.007   8.8426   49.496   8.1981  141.183   11.591  132.796   11.425 8.386536 16.27466 
1 1 1  -41    6   21 o   37.594   12.112  -3.6564   5.4881  -6.7640   8.2246  -1.1622   7.3684   35.842   16.810   39.345   17.441 -3.503471 24.22378 
1 1 1  -41    6   22 o   35.132   11.504  -6.2111   5.4024 -12.5143   8.0110  -0.9537   7.3164   30.878   15.026   39.385   17.423 -8.506670 23.00738 
1 1 1  -41    6   23 o   49.576   13.809   4.9593   5.5194   8.4409   8.1777   2.0463   7.4801   55.443   20.545   43.708   18.455 11.73482 27.61738 
1 1 1  -41    6   24 o   61.556   13.023   9.0630   5.7621   22.106   8.4939  -2.0562   7.8426   83.893   19.157   39.218   17.645 44.67500 26.04557 
1 1 1  -41    6   25 o  162.144   7.5627   73.439   6.6024   79.245   9.8626   68.725   8.8877  167.808   10.876  156.479   10.511 11.32899 15.12546 
1 1 1  -41    6   26 f   66.383   14.441   12.797   6.0733   21.660   9.2412   6.0585   8.0579   81.903   20.832   50.864   20.004 31.03822 28.88136 
1 1 1  -41    6   27 o   73.352   14.717   17.669   6.1343   15.803   9.0345   19.264   8.3555   69.405   21.697   77.298   19.889 -7.892960 29.43332 
1 1 1  -41    6   28 o   76.296   14.862   19.443   6.3240   18.758   9.2653   20.039   8.6532   74.607   21.687   77.985   20.327 -3.377563 29.72367 
1 1 1  -41    6   29 o   47.288   13.745   0.8798   6.3696   11.029   9.1414  -8.6975   8.8801   59.393   21.772   35.183   16.784 24.20998 27.48986 
1 1 1  -41    6   30 o   52.706   14.688   5.3216   6.6139   12.990   9.5988  -1.6098   9.1259   63.328   22.425   42.084   18.975 21.24431 29.37595 
1 1 1  -41    6   31 o  166.582   9.8064   78.709   8.6972   67.977   11.195   95.045   13.812  152.934   13.547  180.230   14.183 -27.29541 19.61284 
1 1 1  -41    6   32 o   68.607   15.441   14.795   6.8202   22.622   10.038   8.0830   9.2954   82.086   22.127   55.129   21.543 26.95760 30.88223 
1 1 1  -41    6   33 o   42.788   14.070  -5.2794   7.3472  -0.2293   12.652  -7.8491   9.0249   49.432   22.311   36.143   17.150 13.28950 28.14031 
1 1 1  -41    6   34 o   51.704   14.328   4.7248   6.7593  -6.2000   9.5309   15.780   9.5876   37.638   17.789   65.771   22.465 -28.13342 28.65528 
1 1 1  -41    6   35 o  154.151   9.3356   72.371   7.6085   56.885   10.757   87.872   10.763  135.555   14.686  172.747   11.530 -37.19228 18.67124 
1 1 1  -41    6   36 o   56.474   15.386   10.083   6.8310   6.0501   10.054   13.541   9.3098   50.913   21.441   62.035   22.072 -11.12191 30.77203 
1 1 1  -41    6   37 o   44.114   13.690  -0.9150   6.7124   8.3104   9.7367  -9.2706   9.2662   53.386   21.652   34.842   16.759 18.54434 27.38003 
1 1 1  -41    6   38 o   53.344   15.962   3.3204   9.3887   19.750   12.805 -15.7770   13.806   67.825   25.594   38.863   19.082 28.96171 31.92403 
1 1 1  -41    7    1 o   94.008   10.497   25.058   5.1294   32.273   7.8693   19.727   6.7637  106.562   13.666   81.454   15.938 25.10728 20.99452 
1 1 1  -41    7    2 o  106.282   9.4696   33.239   5.2013   26.013   7.9919   38.549   6.8508   94.991   15.570  117.573   10.783 -22.58221 18.93925 
1 1 1  -41    7    3 o   49.550   13.264   5.2756   4.8807   8.7938   7.6283   2.8373   6.3506   56.245   19.983   42.855   17.447 13.38976 26.52746 
1 1 1  -41    7    4 o   49.807   14.368   4.1725   6.1363   2.6667   8.8485   5.5676   8.5169   47.964   20.153   51.650   20.485 -3.685387 28.73647 
1 1 1  -41    7    5 o   45.994   13.844   0.6400   6.2270   5.4144   8.9177  -3.9032   8.6990   52.068   20.859   39.920   18.207 12.14785 27.68756 
1 1 1  -41    7    6 o  106.329   11.901   33.281   6.5891   26.982   9.1209   40.158   9.5293   94.298   18.561  118.360   14.899 -24.06226 23.80100 
1 1 1  -41    7    7 o   68.727   14.266   13.672   5.3726   17.903   9.4782   11.669   6.5215   75.345   21.944   62.110   18.235 13.23556 28.53174 
1 1 1  -41    7    8 o   43.331   12.563   2.2634   4.8765  -1.6632   7.3883   5.2944   6.4912   38.946   17.353   47.716   18.170 -8.770332 25.12531 
1 1 1  -41    7    9 o   57.426   13.532   8.9373   4.9848   13.490   7.7386   5.7088   6.5169   66.282   19.963   48.569   18.273 17.71310 27.06352 
1 1 1  -41    7   10 o   32.664   10.811  -7.1165   4.9923 -13.9771   7.6426  -2.0103   6.5934   29.051   14.251   36.277   16.262 -7.225544 21.62243 
1 1 1  -41    7   11 o  124.193   10.824   43.057   7.2642   0.0000   0.0000   43.057   7.2642  ?   ?   124.193   10.824      ?      ? 
1 1 1  -41    7   12 o   57.106   13.833   9.4141   5.3035   5.7895   8.1786   12.044   6.9669   51.327   20.164   62.886   18.942 -11.55875 27.66555 
1 1 1  -41    7   13 o  131.637   8.9418   51.106   6.0532   36.875   9.0592   62.584   8.1360  113.265   14.801  150.009   10.037 -36.74356 17.88363 
1 1 1  -41    7   14 o   69.365   17.952   13.772   8.6039   18.944   13.968   10.610   10.922   76.442   27.053   62.288   23.605 14.15415 35.90321 
1 1 1  -41    7   15 o   92.201   17.514   26.476   8.5508   34.617   14.807   22.403   10.474  101.050   26.712   83.353   22.659 17.69663 35.02792 
1 1 1  -41    7   16 o   55.493   14.991   7.2789   6.0972   5.3892   7.6782   10.505   10.032   49.717   19.535   61.269   22.745 -11.55264 29.98287 
1 1 1  -41    7   17 o   48.168   13.121   3.8242   5.2041   9.8292   7.5315  -1.6626   7.1992   58.027   19.910   38.309   17.095 19.71790 26.24187 
1 1 1  -41    7   18 f   40.621   12.575  -0.3305   5.2454   0.0638   7.7054  -0.6709   7.1607   41.784   18.200   39.458   17.356 2.325409 25.14901 
1 1 1  -41    7   19 o   74.177   12.713   16.368   5.5833   26.096   8.0800   7.4795   7.7239   94.810   15.771   53.544   19.942 41.26619 25.42506 
1 1 1  -41    7   20 o   76.947   13.178   18.133   5.5370   24.403   8.1144   12.670   7.5745   89.792   17.352   64.101   19.838 25.69096 26.35592 
1 1 1  -41    7   21 o   50.540   13.601   5.3728   5.5266  -0.2962   8.0268   10.482   7.6205   41.907   18.406   59.173   20.029 -17.26590 27.20169 
1 1 1  -41    7   22 o   44.206   13.250   1.8722   5.5446  -0.9209   8.5226   3.9219   7.3010   42.197   18.729   46.216   18.747 -4.019218 26.49960 
1 1 1  -41    7   23 o   67.266   14.375   14.105   5.7870   18.397   8.4407   10.298   7.9495   75.861   20.223   58.672   20.436 17.18895 28.75029 
1 1 1  -41    7   24 o   47.042   13.667   2.2928   5.8659   8.2987   8.5559  -3.0341   8.0578   55.404   20.917   38.681   17.596 16.72285 27.33364 
1 1 1  -41    7   25 o   42.516   13.267  -0.4032   5.9809  -1.7513   8.5899   0.8652   8.3326   41.271   18.527   43.762   18.994 -2.490723 26.53325 
1 1 1  -41    7   26 o   54.809   14.475   6.7179   6.1520   14.470   9.2414   0.5484   8.2441   66.678   22.049   42.940   18.761 23.73722 28.95053 
1 1 1  -41    7   27 o  104.321   11.818   32.951   6.4806   38.249   9.6188   28.547   8.7698  113.072   15.743   95.571   17.631 17.50024 23.63640 
1 1 1  -41    7   28 o   54.305   14.560   7.7558   6.2587   1.9181   9.1619   12.864   8.5700   45.910   19.922   62.700   21.240 -16.78958 29.12078 
1 1 1  -41    7   29 o   33.756   11.538 -11.4783   6.3519  -9.9357   9.3844 -12.7825   8.6290   35.615   17.061   31.897   15.538 3.717159 23.07589 
1 1 1  -41    7   30 o   79.913   13.487   20.146   7.7804   39.480   10.541  -2.9910   11.531  114.180   17.085   45.645   20.874 68.53499 26.97451 
1 1 1  -41    7   31 o  133.424   18.125   54.527   13.068   0.0000   0.0000   54.527   13.068  ?   ?   133.424   18.125      ?      ? 
1 1 1  -41    7   32 o   39.552   13.251  -7.9603   7.3195  -7.2252   11.794  -8.4208   9.3349   42.580   20.021   36.525   17.363 6.054615 26.50160 
1 1 1  -41    7   33 o  100.065   15.085   33.860   7.6281   35.991   13.278   32.810   9.3195   97.792   25.023  102.337   16.853 -4.544907 30.16934 
1 1 1  -41    7   34 o   66.405   15.993   16.886   6.9179   15.104   9.9998   18.521   9.5805   63.082   22.824   69.729   22.410 -6.647034 31.98667 
1 1 1  -41    7   35 o   66.459   15.691   16.190   6.7277   13.353   10.109   18.446   9.0135   61.344   22.821   71.575   21.542 -10.23077 31.38286 
1 1 1  -41    7   36 o   46.276   13.856  -0.3805   6.6636   11.722   9.9008 -10.4024   9.0095   58.924   22.439   33.628   16.262 25.29665 27.71218 
1 1 1  -41    7   37 o   46.059   14.942   0.4630   8.2747   1.7723   10.331  -1.8800   13.820   45.309   20.330   46.809   21.902 -1.500095 29.88330 
1 1 1  -41    7   38 o   56.988   17.114   11.473   9.2034   14.282   13.322   8.9077   12.730   59.970   24.926   54.005   23.458 5.964981 34.22891 
1 1 1  -41    8    1 o   91.806   11.553   25.478   5.4498   21.357   8.2979   28.604   7.2270   83.292   18.873  100.321   13.331 -17.02907 23.10683 
1 1 1  -41    8    2 o   85.060   14.084   22.541   6.3433   22.079   9.3950   22.928   8.5994   83.764   20.841   86.356   18.949 -2.591888 28.16732 
1 1 1  -41    8    3 o  186.235   8.0521   96.976   8.0712   99.910   12.027   94.572   10.886  188.540   11.805  183.930   10.953 4.609695 16.10413 
1 1 1  -41    8    4 o   84.932   13.527   21.287   6.4516   34.032   9.7450   11.342   8.6082  107.976   16.702   61.888   21.282 46.08790 27.05332 
1 1 1  -41    8    5 o   88.410   12.815   22.634   5.6591   27.748   9.8614   20.123   6.9101   94.717   19.900   82.103   16.151 12.61414 25.62913 
1 1 1  -41    8    6 o   57.524   13.791   9.6739   5.0903   8.6173   8.0055   10.391   6.5953   56.141   20.405   58.908   18.558 -2.766258 27.58206 
1 1 1  -41    8    7 o   51.347   13.711   6.5495   5.1845   5.1335   8.2022   7.4917   6.6907   50.272   20.051   52.421   18.705 -2.149494 27.42139 
1 1 1  -41    8    8 o   51.385   13.529   5.8402   5.1016   10.500   7.9415   2.5664   6.6568   59.774   20.445   42.996   17.724 16.77842 27.05800 
1 1 1  -41    8    9 o   86.587   12.062   22.312   5.3902   24.420   8.3429   20.802   7.0620   89.753   17.830   83.422   16.250 6.331444 24.12474 
1 1 1  -41    8   10 o  132.568   8.3071   48.979   5.8232   51.517   9.3319   47.360   7.4521  134.870   12.805  130.266   10.587 4.604523 16.61429 
1 1 1  -41    8   11 f   60.990   13.820   11.245   5.4086   6.5468   8.1801   14.895   7.2094   52.518   20.296   69.462   18.764 -16.94421 27.64087 
1 1 1  -41    8   12 o  133.166   8.4293   48.833   5.9637   56.023   9.5460   44.231   7.6376  140.731   12.553  125.600   11.253 15.13102 16.85854 
1 1 1  -41    8   13 o   37.774   12.144  -3.2296   5.4225  -5.6091   8.3310  -1.4805   7.1425   37.175   17.264   38.373   17.083 -1.197388 24.28723 
1 1 1  -41    8   14 o   68.528   17.219   14.603   8.4162   5.6036   14.667   19.020   10.276   60.226   25.654   76.830   22.974 -16.60486 34.43751 
1 1 1  -41    8   15 o   74.851   17.130   18.885   8.4342   8.0811   15.077   23.806   10.175   63.307   26.433   86.394   21.797 -23.08632 34.26061 
1 1 1  -41    8   16 o   52.841   14.038   6.4857   5.4795   10.410   8.4021   3.5816   7.2282   59.825   21.000   45.858   18.635 13.96643 28.07580 
1 1 1  -41    8   17 o   49.920   13.975   5.2374   5.5753   5.9656   8.2734   4.6317   7.5461   51.642   20.283   48.197   19.230 3.445496 27.94942 
1 1 1  -41    8   18 o   66.244   13.110   13.463   5.6318   3.3627   8.3908   21.744   7.5973   47.744   19.808   84.744   17.179 -36.99908 26.21992 
1 1 1  -41    8   19 o   86.747   12.399   22.457   5.7120   31.686   8.5051   14.874   7.7094  104.588   15.049   68.906   19.711 35.68178 24.79888 
1 1 1  -41    8   20 o   41.431   12.832  -0.5034   5.4982   2.1773   8.1751  -2.7174   7.4295   45.375   19.234   37.487   16.992 7.887218 25.66430 
1 1 1  -41    8   21 o   65.678   14.353   13.179   5.7146   17.859   8.5337   9.3729   7.6946   74.666   20.518   56.690   20.077 17.97664 28.70684 
1 1 1  -41    8   22 o   39.762   12.647  -2.0689   5.6811  -1.0868   8.3193  -2.9270   7.7767   41.448   18.445   38.077   17.307 3.371265 25.29386 
1 1 1  -41    8   23 o  163.918   7.6749   75.331   6.7793   79.376   10.050   71.953   9.1836  167.801   11.083  160.035   10.620 7.765350 15.34985 
1 1 1  -41    8   24 o   64.669   13.812   13.230   5.9497   3.8069   9.1293   20.187   7.8444   49.094   20.539   80.244   18.473 -31.15069 27.62449 
1 1 1  -41    8   25 f   79.391   14.307   20.435   6.1304   21.171   9.1720   19.841   8.2418   80.260   20.931   78.521   19.511 1.738907 28.61417 
1 1 1  -41    8   26 o   50.486   14.088   5.1573   6.2022  -2.4485   9.3725   11.083   8.2727   41.684   18.968   59.287   20.836 -17.60300 28.17658 
1 1 1  -41    8   27 o   61.030   15.212   12.004   6.3507   9.1316   9.5908   14.247   8.4748   56.529   21.940   65.531   21.079 -9.002560 30.42482 
1 1 1  -41    8   28 o   44.758   13.773   0.7189   6.4179  -4.0709   9.5637   4.6430   8.6564   40.658   18.745   48.859   20.183 -8.200710 27.54504 
1 1 1  -41    8   29 o   31.769   15.914 -28.1532   11.640   0.0000   0.0000 -28.1532   11.640  ?   ?    31.769   15.914      ?      ? 
1 1 1  -41    8   30 o  112.921   22.046   41.982   12.969   0.0000   0.0000   41.982   12.969  ?   ?   112.921   22.046      ?      ? 
1 1 1  -41    8   31 o   33.385   11.641 -18.3915   7.4597 -30.9234   12.937 -12.1489   9.1305   33.266   16.680   33.504   16.243 -0.2382202 23.28220 
1 1 1  -41    8   32 o   67.334   16.265   16.967   7.6302   8.6959   13.206   21.112   9.3484   57.263   24.366   77.406   21.554 -20.14386 32.53100 
1 1 1  -41    8   33 o   61.974   14.484   10.839   6.9253   26.111   10.221  -2.1254   9.4164   83.679   22.227   40.269   18.578 43.40943 28.96899 
1 1 1  -41    8   34 o  112.329   11.861   40.097   7.1568   37.171   10.349   42.780   9.9077  107.291   17.850  117.366   15.622 -10.07508 23.72115 
1 1 1  -41    8   35 o   62.179   15.358   12.954   6.9421   5.1533   10.030   20.129   9.6184   49.811   21.216   74.548   22.212 -24.73658 30.71611 
1 1 1  -41    8   36 o   64.042   16.976   14.915   7.9387   9.9884   10.288   22.164   12.481   55.254   22.310   72.830   25.593 -17.57569 33.95153 
1 1 1  -41    8   37 o   41.045   13.885  -7.6076   8.8774  -2.1291   11.858 -14.5946   13.391   43.536   20.343   38.555   18.903 4.980637 27.76978 
1 1 1  -41    9    1 o   78.744   14.022   20.009   6.2616   11.932   9.2808   26.757   8.4832   63.234   22.078   94.255   17.293 -31.02126 28.04436 
1 1 1  -41    9    2 o   56.785   15.235   8.1227   6.3798   10.340   9.8581   6.5248   8.3685   60.845   22.556   52.725   20.486 8.120163 30.47013 
1 1 1  -41    9    3 o   35.131   11.761  -9.3943   5.3500  -1.4306   9.5354 -13.0529   6.4631   44.249   19.715   26.013   12.828 18.23545 23.52114 
1 1 1  -41    9    4 o   95.430   11.058   25.448   5.4577   33.380   8.9541   20.759   6.8843  107.399   15.429   83.462   15.844 23.93696 22.11525 
1 1 1  -41    9    5 o   52.762   13.792   5.8212   5.2579   12.252   8.6134   2.0015   6.6383   63.543   21.295   41.980   17.535 21.56312 27.58493 
1 1 1  -41    9    6 o   63.271   13.056   9.5267   5.4307   22.424   8.6320   1.0778   6.9867   85.128   19.220   41.414   17.675 43.71400 26.11154 
1 1 1  -41    9    7 o   96.487   17.628   28.114   8.8521   28.114   8.8521   0.0000   0.0000   96.487   17.628  ?   ?       ?      ? 
1 1 1  -41    9    8 o   59.241   14.252   10.062   5.3402   12.035   8.6426   8.8437   6.7920   63.121   21.330   55.361   18.908 7.759167 28.50408 
1 1 1  -41    9    9 o   55.246   14.221   8.3256   5.4326   8.1044   8.6338   8.4706   6.9897   55.773   21.023   54.720   19.157 1.052639 28.44178 
1 1 1  -41    9   10 o   28.899   10.008 -12.9670   5.2264 -16.7579   8.2542 -10.4300   6.7524   29.132   14.390   28.665   13.913 0.4676495 20.01610 
1 1 1  -41    9   11 f  131.646   8.6333   49.376   6.0031   46.367   9.3563   51.481   7.8264  127.542   13.576  135.750   10.669 -8.208702 17.26659 
1 1 1  -41    9   12 o  123.885   9.4942   45.847   6.0010   33.363   9.1904   55.126   7.9232  107.185   15.868  140.585   10.430 -33.39997 18.98845 
1 1 1  -41    9   13 o   53.387   15.477   5.7724   6.5664  -3.4910   15.069   7.9436   7.2955   52.813   24.039   53.961   19.500 -1.147984 30.95349 
1 1 1  -41    9   14 f   78.222   17.556   15.715   8.5925   34.595   14.964   6.4279   10.495  100.812   26.950   55.632   22.508 45.18058 35.11280 
1 1 1  -41    9   15 o   63.750   17.386   11.041   8.6704   3.8311   14.956   14.691   10.641   58.793   25.482   68.708   23.660 -9.915466 34.77283 
1 1 1  -41    9   16 o   44.858   13.181   2.1220   5.5119  -3.3013   8.6408   5.8427   7.1571   40.131   18.242   49.585   19.032 -9.454075 26.36250 
1 1 1  -41    9   17 o   49.185   13.064   4.1359   5.4846  -5.1488   8.2835   11.383   7.3186   37.341   17.297   61.028   19.584 -23.68666 26.12834 
1 1 1  -41    9   18 o   39.041   12.482  -2.6330   5.6027  -1.4403   8.3352  -3.6160   7.5673   41.200   18.389   36.882   16.882 4.318390 24.96362 
1 1 1  -41    9   19 o   48.029   13.607   1.8553   5.7778   10.751   8.9011  -4.6221   7.5953   60.172   21.564   35.886   16.601 24.28662 27.21394 
1 1 1  -41    9   20 o  114.522   10.031   37.212   6.0734   49.349   9.2245   27.924   8.0691  131.308   13.001   97.736   15.279 33.57172 20.06121 
1 1 1  -41    9   21 o   63.869   14.746   12.834   5.9413   10.198   8.7803   15.060   8.0691   58.997   21.381   68.741   20.312 -9.743690 29.49149 
1 1 1  -41    9   22 o   68.877   13.340   13.132   6.0196   26.829   9.0253   2.1568   8.0790   92.818   18.642   44.935   19.088 47.88257 26.68076 
1 1 1  -41    9   23 o   54.276   14.217   7.3367   6.1266  -0.5205   9.3276   13.299   8.1251   44.043   19.569   64.509   20.628 -20.46647 28.43304 
1 1 1  -41    9   24 o  107.904   11.254   34.580   6.4690   36.269   10.101   33.405   8.4232  109.320   17.099  106.488   14.638 2.832542 22.50886 
1 1 1  -41    9   25 o   42.187   13.331  -2.5086   6.2720   4.3269   9.7148  -7.3939   8.2129   49.840   21.038   34.534   16.379 15.30634 26.66165 
1 1 1  -41    9   26 o   81.763   14.697   21.344   6.7465   32.366   10.377   13.275   8.8790   99.940   19.915   63.586   21.619 36.35416 29.39376 
1 1 1  -41    9   27 o   55.735   15.355   7.6713   6.6826   12.783   10.384   4.0572   8.7309   63.269   23.202   48.201   20.119 15.06760 30.71017 
1 1 1  -41    9   28 o   54.592   15.703   6.9132   7.1797   8.0147   11.154   6.1340   9.3818   56.933   23.143   52.250   21.231 4.683475 31.40648 
1 1 1  -41    9   29 f   81.569   15.603   23.651   8.3732   36.140   10.952   6.0833   12.990  106.448   19.768   56.690   24.145 49.75772 31.20514 
1 1 1  -41    9   30 o   41.709   13.831  -5.9088   7.2836  -3.4504   12.768  -7.0947   8.8680   47.030   21.675   36.387   17.186 10.64277 27.66187 
1 1 1  -41    9   31 o   56.181   16.249   9.1784   7.5945   9.7365   12.902   8.8826   9.3945   57.912   24.334   54.449   21.540 3.463169 32.49805 
1 1 1  -41    9   32 o  108.874   13.161   40.824   7.2495   30.438   10.732   49.543   9.8320   90.888   22.071  126.861   14.343 -35.97216 26.32190 
1 1 1  -41    9   33 o   47.848   14.550   2.9356   7.0047   9.2921   10.247  -2.6407   9.5973   55.062   22.253   40.634   18.750 14.42837 29.09916 
1 1 1  -41    9   34 o   60.866   16.051   12.781   7.0688   14.233   10.381   11.526   9.6520   63.108   23.191   58.624   22.196 4.483776 32.10127 
1 1 1  -41    9   35 o   47.346   15.000   2.4641   7.9085   4.8909   9.8827  -1.8574   13.188   48.371   20.840   46.322   21.581 2.048401 30.00083 
1 1 1  -41    9   36 o   56.467   16.719   8.9091   9.3730   20.495   13.167  -2.9932   13.346   68.045   25.886   44.890   21.166 23.15457 33.43764 
1 1 1  -41   10    1 o   99.018   11.853   28.625   5.8960   30.541   10.042   27.617   7.2838   99.652   19.346   98.383   13.701 1.269287 23.70581 
1 1 1  -41   10    2 o   84.526   12.288   24.288   5.5756   9.8407   8.7540   34.149   7.2323   59.025   21.355  110.027   12.164 -51.00212 24.57700 
1 1 1  -41   10    3 o   37.103   11.959  -3.5484   5.3340  -7.9990   8.6204  -0.7873   6.7898   35.895   16.951   38.311   16.875 -2.415905 23.91842 
1 1 1  -41   10    4 o   51.715   14.014   6.4953   5.4189   5.0016   8.9123   7.3714   6.8255   51.180   20.729   52.250   18.864 -1.070194 28.02803 
1 1 1  -41   10    5 o   40.999   12.658  -0.1000   5.1513   0.5764   8.3812  -0.5106   6.5303   44.022   19.078   37.977   16.642 6.045437 25.31696 
1 1 1  -41   10    6 o   68.219   14.312   14.401   5.5762   14.751   8.8903   14.173   7.1596   68.669   21.532   67.769   18.860 0.8990631 28.62386 
1 1 1  -41   10    7 o  128.762   9.0284   48.517   6.0176   39.827   9.4005   54.550   7.8327  117.647   14.787  139.876   10.363 -22.22930 18.05673 
1 1 1  -41   10    8 o   89.236   12.247   24.843   5.6151   18.633   8.6654   29.338   7.3722   76.961   20.478  101.511   13.440 -24.54987 24.49426 
1 1 1  -41   10    9 o   86.225   12.525   22.230   5.5354   24.428   8.8756   20.830   7.0814   89.054   19.022   83.396   16.298 5.657768 25.04939 
1 1 1  -41   10   10 f   47.379   13.677   3.8387   5.5021   2.7168   8.6143   4.6117   7.1507   47.320   19.883   47.439   18.785 -0.1190529 27.35333 
1 1 1  -41   10   11 o   73.986   13.888   16.229   5.7516   23.900   8.9700   10.874   7.4953   87.787   19.424   60.185   19.855 27.60169 27.77559 
1 1 1  -41   10   12 o   52.127   13.845   6.7112   5.5217   1.9112   8.7431   9.8959   7.1217   46.431   19.793   57.823   19.363 -11.39169 27.68931 
1 1 1  -41   10   13 o   78.678   16.312   21.742   9.2490  -3.4932   16.689   32.928   11.111   54.997   25.136  102.359   20.798 -47.36176 32.62458 
1 1 1  -41   10   14 o   81.059   17.907   23.034   9.1712   13.662   15.497   28.086   11.378   69.300   27.586   92.819   22.840 -23.51850 35.81416 
1 1 1  -41   10   15 o   56.849   14.604   6.7901   7.0937   16.689   9.1174  -8.3941   11.292   72.032   21.663   41.666   19.591 30.36644 29.20796 
1 1 1  -41   10   16 o   49.963   13.356   4.2307   5.7551  -5.5077   8.6592   11.936   7.7024   37.848   17.585   62.078   20.108 -24.22992 26.71267 
1 1 1  -41   10   17 o  106.632   11.486   34.579   6.1977   30.424   9.7633   37.384   8.0211   98.949   18.950  114.314   12.985 -15.36524 22.97200 
1 1 1  -41   10   18 o   64.408   14.630   12.616   5.7457   16.228   8.9380   10.072   7.5010   70.880   21.479   57.936   19.870 12.94418 29.25980 
1 1 1  -41   10   19 o   38.656   12.525  -3.7205   5.7604  -2.5092   9.1795  -4.5074   7.3984   41.888   18.946   35.425   16.387 6.462513 25.04925 
1 1 1  -41   10   20 o   83.852   13.492   21.637   5.9412   26.543   9.1889   18.113   7.7881   92.003   19.108   75.700   19.053 16.30335 26.98390 
1 1 1  -41   10   21 o   40.438   12.896  -2.2039   5.9234  -0.4759   8.9266  -3.5634   7.9176   43.274   19.190   37.602   17.233 5.672417 25.79149 
1 1 1  -41   10   22 o  100.497   12.668   32.120   6.5291   24.618   9.6611   38.427   8.8581   86.507   20.901  114.488   14.318 -27.98125 25.33517 
1 1 1  -41   10   23 o   99.093   12.526   30.183   6.5014   37.301   9.6961   24.369   8.7633  111.262   16.127   86.924   19.172 24.33842 25.05289 
1 1 1  -41   10   24 o   40.619   13.027  -2.2235   6.2220  -4.4507   9.1842  -0.3342   8.4590   39.342   18.220   41.896   18.624 -2.554245 26.05413 
1 1 1  -41   10   25 o  104.821   12.812   34.042   7.0671   35.580   10.607   32.814   9.4772  105.626   19.294  104.016   16.861 1.609863 25.62383 
1 1 1  -41   10   26 o   68.900   14.328   12.246   6.7026   29.005   10.518   0.7856   8.6974   93.837   21.238   43.963   19.238 49.87360 28.65509 
1 1 1  -41   10   27 o  134.359   13.001   61.095   7.8175   24.671   11.179   95.958   10.937   84.741   23.560  183.977   11.001 -99.23612 26.00195 
1 1 1  -41   10   28 o   43.885   13.728 -10.1484   8.0371   8.7543   10.429 -37.7928   12.612   57.145   22.667   30.625   15.494 26.52053 27.45676 
1 1 1  -41   10   29 o   48.835   14.237   1.6530   7.0686 -11.4844   10.743   11.683   9.3867   37.376   17.995   60.294   22.068 -22.91795 28.47476 
1 1 1  -41   10   30 o   84.294   16.160   27.510   7.5530   22.613   13.427   29.776   9.1353   73.927   26.486   94.661   18.523 -20.73430 32.32006 
1 1 1  -41   10   31 o   41.929   13.450  -1.1006   6.8551  -7.6822   10.489   3.8067   9.0570   37.943   18.139   45.914   19.865 -7.971664 26.90095 
1 1 1  -41   10   32 o   80.321   15.520   22.743   6.9032   27.957   10.640   18.953   9.0716   88.002   22.337   72.641   21.555 15.36105 31.04095 
1 1 1  -41   10   33 o   78.313   16.053   22.499   7.1843   21.965   10.663   22.944   9.7226   76.610   23.509   80.015   21.864 -3.404968 32.10516 
1 1 1  -41   10   34 o   44.518   14.566  -1.2499   8.1012  -1.1548   10.353  -1.4000   13.010   42.731   19.628   46.306   21.527 -3.574757 29.13245 
1 1 1  -41   10   35 o   43.607   14.450  -8.1712   9.2033   7.8806   12.907 -24.7748   13.127   53.147   23.341   34.068   17.041 19.07916 28.89986 
1 1 1  -41   11    1 o  123.678   14.063   44.002   9.3985   44.002   9.3985   0.0000   0.0000  123.678   14.063  ?   ?       ?      ? 
1 1 1  -41   11    2 o   42.132   12.880   0.6722   5.3690  -2.4214   8.7432   2.5450   6.8028   41.194   18.574   43.070   17.850 -1.876472 25.76030 
1 1 1  -41   11    3 f   52.253   13.958   5.5064   5.4302   11.870   8.8697   1.6913   6.8677   62.606   21.599   41.901   17.688 20.70483 27.91701 
1 1 1  -41   11    4 o   76.170   12.031   14.500   5.6314   34.230   9.1870   2.6247   7.1273  108.392   15.685   43.948   18.247 64.44405 24.06170 
1 1 1  -41   11    5 o   96.790   11.236   25.968   5.5662   37.788   9.1664   19.064   7.0057  114.329   14.837   79.251   16.876 35.07856 22.47126 
1 1 1  -41   11    6 o   66.188   14.000   14.106   5.4931   9.8454   9.2306   16.442   6.8351   59.169   21.848   73.207   17.513 -14.03782 28.00057 
1 1 1  -41   11    7 o   46.077   13.039  -1.5787   5.3973   11.769   9.0774  -8.8780   6.7128   62.511   21.834   29.643   14.260 32.86807 26.07811 
1 1 1  -41   11    8 o   57.211   14.210   8.3595   5.5252   14.448   8.7917   4.3848   7.1033   67.662   21.438   46.759   18.657 20.90304 28.41952 
1 1 1  -41   11    9 o   87.830   12.546   24.137   5.6948   19.650   8.9558   27.183   7.3787   78.450   20.791   97.211   14.047 -18.76140 25.09174 
1 1 1  -41   11   10 f   54.247   13.883   5.6567   5.6407   15.118   8.9418  -0.5968   7.2696   68.881   21.594   39.613   17.454 29.26834 27.76542 
1 1 1  -41   11   11 o   59.038   14.658   9.9698   5.6930   12.629   9.0901   8.2534   7.3026   63.890   21.874   54.185   19.520 9.704327 29.31699 
1 1 1  -41   11   12 o   32.870   11.050  -8.7753   5.5057 -16.9625   8.9653  -3.8181   6.9761   30.743   15.150   34.997   16.089 -4.254705 22.09927 
1 1 1  -41   11   13 o   76.906   19.208   18.637   9.4543   26.532   16.661   14.887   11.482   85.383   29.594   68.428   24.494 16.95506 38.41602 
1 1 1  -41   11   14 o   59.963   17.612   7.9143   9.2417   4.4842   15.813   9.6937   11.389   59.495   25.989   60.431   23.777 -0.9361916 35.22495 
1 1 1  -41   11   15 o   54.838   14.571   6.8235   6.0193   13.267   9.3417   2.2493   7.8710   64.965   22.175   44.710   18.908 20.25434 29.14165 
1 1 1  -41   11   16 o  110.825   10.808   35.513   6.3801   38.315   10.030   33.609   8.2687  113.878   16.299  107.772   14.198 6.105904 21.61597 
1 1 1  -41   11   17 o   60.902   14.516   9.5679   6.0543   18.841   9.4315   3.0685   7.8958   75.906   21.828   45.898   19.143 30.00757 29.03271 
1 1 1  -41   11   18 o   55.536   14.514   8.4288   6.0583   3.2738   9.3069   12.219   7.9807   48.669   20.570   62.402   20.483 -13.73335 29.02868 
1 1 1  -41   11   19 o   42.437   13.081  -5.4576   6.0323   8.2890   9.7245 -14.0556   7.6908   56.095   22.003   28.779   14.153 27.31531 26.16166 
1 1 1  -41   11   20 o   44.676   13.632   0.9737   5.9879   5.1726   9.2569  -2.0472   7.8518   50.571   20.879   38.781   17.533 11.78982 27.26408 
1 1 1  -41   11   21 o   34.665   11.687  -8.3888   6.0553 -10.4865   9.2075  -6.7902   8.0381   34.739   16.709   34.590   16.345 0.1490555 23.37433 
1 1 1  -41   11   22 o  148.525   8.8524   62.430   7.0260   74.026   10.959   54.338   9.1548  159.852   12.688  137.199   12.348 22.65279 17.70481 
1 1 1  -41   11   23 o   46.995   14.216   2.8083   6.3997   1.7474   9.7364   3.6154   8.4918   46.894   20.441   47.096   19.763 -0.2020950 28.43285 
1 1 1  -41   11   24 o   39.744   12.924  -4.0366   6.4279  -7.4147   9.6654  -1.3577   8.6071   38.183   18.006   41.305   18.543 -3.122013 25.84718 
1 1 1  -41   11   25 o   81.177   14.109   22.593   6.9194   9.7561   10.618   32.069   9.1224   58.896   23.022  103.457   16.318 -44.56051 28.21850 
1 1 1  -41   11   26 o   95.171   14.727   28.743   7.3704   38.546   11.354   21.603   9.6893  109.931   19.844   80.411   21.767 29.52055 29.45471 
1 1 1  -41   11   27 o  100.907   15.283   35.837   8.4129   48.638   11.375   20.383   12.499  126.636   16.623   75.178   25.650 51.45715 30.56570 
1 1 1  -41   11   28 o   51.738   15.726   3.6396   8.1503  -2.7609   11.069   11.218   12.045   43.766   20.174   59.711   24.129 -15.94508 31.45160 
1 1 1  -41   11   29 o   91.090   16.843   29.184   7.9294   41.464   14.289   23.719   9.5317  101.597   25.938   80.583   21.494 21.01422 33.68636 
1 1 1  -41   11   30 o   57.702   15.698   11.370   7.3169   4.9416   11.315   15.990   9.5923   50.104   21.933   65.299   22.465 -15.19569 31.39656 
1 1 1  -41   11   31 o  127.330   10.843   49.828   7.3862   49.084   11.158   50.408   9.8545  125.303   16.479  129.357   14.098 -4.053741 21.68668 
1 1 1  -41   11   32 o   52.194   15.148   7.4642   6.8477   6.1076   10.394   8.5047   9.1022   51.121   21.679   53.267   21.161 -2.145947 30.29529 
1 1 1  -41   11   33 o   56.814   16.403   8.5009   8.1371   0.8408   10.392   20.637   13.081   44.381   20.108   69.246   25.921 -24.86441 32.80583 
1 1 1  -41   11   34 o   61.644   17.074   14.630   9.0537   4.4459   13.404   23.176   12.278   50.362   22.826   72.927   25.398 -22.56464 34.14737 
1 1 1  -41   12    1 o  111.929   9.9793   35.753   5.8791   38.311   9.5679   34.201   7.4519  114.358   15.483  109.500   12.594 4.858368 19.95851 
1 1 1  -41   12    2 o   90.666   12.379   24.818   5.7213   26.976   9.2331   23.473   7.2895   92.957   19.022   88.375   15.847 4.581711 24.75809 
1 1 1  -41   12    3 o   38.169   12.345  -3.3187   5.5372  -3.2855   9.0145  -3.3388   7.0170   40.749   18.565   35.588   16.278 5.161152 24.69096 
1 1 1  -41   12    4 o   46.992   13.797   3.2064   5.6435   5.2404   9.0358   1.9054   7.2264   51.146   20.815   42.838   18.117 8.307510 27.59482 
1 1 1  -41   12    5 o   65.055   14.795   13.141   5.7843   14.438   9.3751   12.343   7.3501   67.232   22.206   62.878   19.556 4.353054 29.58989 
1 1 1  -41   12    6 o   50.811   13.341  -0.6081   5.8059   16.698   9.6084 -10.5609   7.2867   71.610   22.374   30.011   14.540 41.59969 26.68294 
1 1 1  -41   12    7 o   58.687   14.610   9.9972   5.6095   11.626   9.2038   9.0346   7.0755   61.882   21.954   55.492   19.283 6.389572 29.21961 
1 1 1  -41   12    8 o   68.984   14.748   14.744   5.8497   17.988   9.4412   12.722   7.4526   74.256   21.980   63.712   19.671 10.54317 29.49693 
1 1 1  -41   12    9 o   59.325   14.187   10.691   5.8688   3.4554   9.5423   15.093   7.4430   49.501   20.870   69.148   19.224 -19.64650 28.37497 
1 1 1  -41   12   10 o   71.103   14.610   16.419   5.9887   13.964   9.2489   18.191   7.8584   66.284   22.064   75.923   19.155 -9.639221 29.21933 
1 1 1  -41   12   11 o   57.192   14.831   8.8206   5.9426   12.392   9.3795   6.4259   7.6808   63.348   22.191   51.035   19.682 12.31334 29.66169 
1 1 1  -41   12   12 o   47.052   15.566  -5.6607   7.0498   3.9302   17.224  -7.5909   7.7267   60.573   26.768   33.531   15.898 27.04183 31.13291 
1 1 1  -41   12   13 o   49.689   16.149  -3.5629   9.6086  -7.5203   16.470  -1.5212   11.830   51.254   23.959   48.124   21.661 3.129803 32.29880 
1 1 1  -41   12   14 o   60.487   18.233   4.9598   9.9154   15.297   17.456   0.0354   12.048   71.114   28.935   49.861   22.193 21.25238 36.46566 
1 1 1  -41   12   15 o   55.265   14.338   6.6022   6.0367   15.362   9.2557   0.1175   7.9635   68.640   22.023   41.889   18.367 26.75068 28.67692 
1 1 1  -41   12   16 o   66.654   14.821   14.645   6.0104   11.896   9.6187   16.405   7.6983   61.882   22.386   71.427   19.430 -9.545395 29.64213 
1 1 1  -41   12   17 f   70.123   13.876   13.788   6.0908   27.759   9.6559   4.5560   7.8493   92.728   19.868   47.518   19.376 45.20974 27.75242 
1 1 1  -41   12   18 o   66.747   15.214   14.389   6.2551   18.645   9.5666   11.210   8.2671   73.979   22.177   59.515   20.834 14.46344 30.42825 
1 1 1  -41   12   19 o   37.774   12.384  -5.9460   6.3228 -14.7466   9.9706  -0.0262   8.1774   33.900   16.554   41.649   18.423 -7.749092 24.76761 
1 1 1  -41   12   20 o   35.412   11.997  -9.1976   6.3098  -8.5003   10.237  -9.6247   8.0127   38.484   18.262   32.339   15.563 6.144249 23.99366 
1 1 1  -41   12   21 o   63.256   15.539   12.976   6.6889   8.9569   10.064   16.156   8.9527   56.951   22.369   69.560   21.574 -12.60840 31.07781 
1 1 1  -41   12   22 o   34.219   11.707 -15.2882   6.4748  -3.3627   9.9521 -24.0407   8.5260   42.222   19.339   26.216   13.198 16.00592 23.41358 
1 1 1  -41   12   23 o  102.382   21.188   34.233   11.335   34.233   11.335   0.0000   0.0000  102.382   21.188  ?   ?       ?      ? 
1 1 1  -41   12   24 o   65.870   15.930   13.749   6.7811   17.641   10.506   10.970   8.8780   72.036   23.494   59.704   21.521 12.33211 31.86085 
1 1 1  -41   12   25 o   28.963   10.260 -24.0957   6.8621 -31.5448   10.754 -18.9789   8.9126   28.664   14.479   29.261   14.541 -0.5962429 20.52011 
1 1 1  -41   12   26 o   44.728   14.591  -3.6097   8.0542  -6.8731   10.470   1.1200   12.605   39.659   18.714   49.797   22.391 -10.13766 29.18197 
1 1 1  -41   12   27 o   38.855   13.181  -9.3838   7.9003 -13.0224   10.621  -4.8761   11.821   35.226   17.176   42.483   19.997 -7.257099 26.36134 
1 1 1  -41   12   28 o   56.560   16.005   5.7670   7.4822   23.514   13.292  -2.4640   9.0525   73.833   26.363   39.287   18.157 34.54588 32.01052 
1 1 1  -41   12   29 o   44.286   14.425  -4.2648   7.5138   6.5113   12.963  -9.7166   9.2206   54.080   23.580   34.493   16.623 19.58699 28.85033 
1 1 1  -41   12   30 o   69.661   14.283   16.930   7.1605   0.9204   10.916   29.024   9.4869   46.418   20.858   92.904   19.518 -46.48532 28.56569 
1 1 1  -41   12   31 o   36.767   12.466  -9.0372   6.9469  -3.6793   10.752 -12.8765   9.1018   41.502   19.386   32.032   15.679 9.469467 24.93295 
1 1 1  -41   12   32 o   42.782   14.207  -3.4008   8.3964  -0.4212   11.015  -7.5338   12.972   43.861   20.184   41.704   19.999 2.157505 28.41405 
1 1 1  -41   13    1 o   63.320   14.493   12.900   5.7434   9.7492   9.2847   14.853   7.3097   58.261   21.832   68.378   19.066 -10.11737 28.98531 
1 1 1  -41   13    2 o  109.066   10.425   34.643   5.9552   35.090   9.6744   34.370   7.5565  108.612   16.484  109.520   12.769 -0.9074402 20.85070 
1 1 1  -41   13    3 o   85.316   13.308   23.166   5.9083   20.300   9.7241   24.843   7.4388   78.454   22.031   92.177   14.934 -13.72330 26.61611 
1 1 1  -41   13    4 o   65.447   14.399   13.978   5.8589   8.9480   9.4331   17.138   7.4756   57.197   21.874   73.697   18.732 -16.50005 28.79842 
1 1 1  -41   13    5 o   51.149   14.142   6.1828   5.8183   1.7486   9.4887   8.8546   7.3655   47.118   20.360   55.180   19.632 -8.061451 28.28356 
1 1 1  -41   13    6 o   36.415   12.000  -5.0075   5.5515  -6.1246   9.2826  -4.3855   6.9268   38.679   18.049   34.151   15.818 4.527744 23.99952 
1 1 1  -41   13    7 o   77.278   14.450   18.984   6.0182   20.775   9.6402   17.841   7.7037   79.492   21.792   75.065   18.981 4.427231 28.89950 
1 1 1  -41   13    8 o   46.776   13.988   2.8487   6.0680   1.1152   9.5108   4.0388   7.8802   46.349   20.203   47.203   19.350 -0.8546028 27.97515 
1 1 1  -41   13    9 o   34.149   11.513  -8.6310   5.8708 -12.5738   9.3149  -6.0327   7.5617   33.992   16.461   34.306   16.099 -0.3136673 23.02513 
1 1 1  -41   13   10 o   45.618   13.747   2.1617   6.0346  -1.4397   9.5140   4.5860   7.8058   43.429   19.496   47.806   19.387 -4.376884 27.49482 
1 1 1  -41   13   11 o   49.338   13.549   3.3524   6.2742 -10.9018   10.208   12.007   7.9540   37.073   17.769   61.603   20.459 -24.53056 27.09821 
1 1 1  -41   13   12 o   79.992   19.974   23.277   10.427   25.698   17.862   22.025   12.843   81.517   30.333   78.467   25.995 3.050064 39.94776 
1 1 1  -41   13   13 o   83.118   19.259   26.596   10.441   18.423   17.320   31.261   13.087   72.555   29.069   93.681   25.270 -21.12580 38.51762 
1 1 1  -41   13   14 o   43.704   13.518  -0.0853   6.3634  -6.6009   9.7259   4.7915   8.4143   38.810   18.227   48.599   19.967 -9.788555 27.03550 
1 1 1  -41   13   15 o   56.097   15.199   9.1095   6.4181   8.2255   10.018   9.7250   8.3589   55.545   22.158   56.649   20.811 -1.104279 30.39858 
1 1 1  -41   13   16 o   44.942   13.935  -0.2546   6.5004   5.7073   10.114  -4.4504   8.4849   52.159   21.703   37.725   17.485 14.43369 27.87004 
1 1 1  -41   13   17 o   52.110   13.368  -0.5916   6.2689   18.956   9.7327 -14.4513   8.1953   74.468   22.379   29.752   14.627 44.71587 26.73516 
1 1 1  -41   13   18 o   57.127   15.239   9.5841   6.4699   7.3872   9.9553   11.190   8.5126   54.538   21.972   59.715   21.121 -5.177761 30.47731 
1 1 1  -41   13   19 o   35.814   12.120  -9.6619   6.6002 -10.7397   10.086  -8.8548   8.7284   36.771   17.634   34.857   16.631 1.913368 24.23976 
1 1 1  -41   13   20 o   36.260   17.505 -12.4735   10.329 -12.4735   10.329   0.0000   0.0000   36.260   17.505  ?   ?       ?      ? 
1 1 1  -41   13   21 o   81.722   15.614   22.146   6.9629   23.860   10.975   20.991   9.0077   83.451   23.396   79.993   20.685 3.457726 31.22891 
1 1 1  -41   13   22 o   56.941   15.700   6.7432   7.2289   16.121   11.345   0.3342   9.3792   69.083   24.389   44.799   19.777 24.28449 31.39993 
1 1 1  -41   13   23 o   79.572   15.988   22.047   7.1820   20.310   11.364   23.202   9.2675   75.571   24.419   83.573   20.643 -8.002289 31.97525 
1 1 1  -41   13   24 o   50.460   14.713   5.7891   6.6423   1.8652   10.185   8.6926   8.7616   46.770   20.630   54.150   20.983 -7.379910 29.42623 
1 1 1  -41   13   25 o   59.461   16.140   9.4220   7.9992  -0.8462   10.586   23.086   12.212   43.661   19.979   75.262   25.355 -31.60054 32.28086 
1 1 1  -41   13   26 o   42.634   13.881  -8.4793   7.8332 -21.9337   10.411   9.0743   11.892   30.468   15.231   54.799   23.211 -24.33106 27.76221 
1 1 1  -41   13   27 o   81.255   16.155   20.414   7.7252   42.545   13.542   9.7362   9.4059  107.198   23.978   55.312   21.655 51.88600 32.30902 
1 1 1  -41   13   28 o   72.239   16.067   14.715   7.5502   35.225   13.036   4.3630   9.2616   96.603   24.836   47.876   20.389 48.72656 32.13308 
1 1 1  -41   13   29 o   57.326   15.823   10.599   7.0207   14.260   10.908   8.0091   9.1733   62.341   23.598   52.311   21.086 10.02976 31.64600 
1 1 1  -41   13   30 o   46.599   14.152   2.6458   7.0341  -7.1613   10.629   10.287   9.3824   38.345   18.311   54.854   21.582 -16.50918 28.30320 
1 1 1  -41   13   31 o   72.273   18.519   23.394   9.3902   27.613   13.576   19.525   13.002   77.867   26.730   66.679   25.638 11.18835 37.03724 
1 1 1  -41   14    1 o   49.338   13.834   2.6643   5.7820   12.976   9.4514  -3.5034   7.3094   62.966   22.257   35.709   16.436 27.25694 27.66784 
1 1 1  -41   14    2 o  102.259   14.326   30.853   7.9163   0.0000   0.0000   30.853   7.9163  ?   ?   102.259   14.326      ?      ? 
1 1 1  -41   14    3 o   60.338   14.911   11.733   6.0023   9.6148   9.7534   13.024   7.6151   57.447   22.173   63.229   19.943 -5.782597 29.82228 
1 1 1  -41   14    4 o  125.138   9.8695   45.062   6.5503   50.854   10.522   41.397   8.3701  130.892   14.876  119.385   12.975 11.50773 19.73904 
1 1 1  -41   14    5 o   42.039   13.325  -0.8883   6.1000  -0.2009   9.8194  -1.3203   7.7842   44.790   19.978   39.289   17.637 5.500561 26.64908 
1 1 1  -41   14    6 o   63.982   15.223   12.503   6.0854   18.167   10.129   9.3031   7.6126   72.545   23.013   55.419   19.933 17.12560 30.44570 
1 1 1  -41   14    7 o   48.404   14.290   3.9266   6.0017   6.6788   10.051   2.4015   7.4820   53.415   21.870   43.393   18.397 10.02204 28.57911 
1 1 1  -41   14    8 o   97.096   13.267   29.911   6.6869   29.302   10.464   30.332   8.6933   93.865   21.139  100.327   16.035 -6.462860 26.53315 
1 1 1  -41   14    9 o   74.059   15.403   17.817   6.5614   24.201   10.380   13.570   8.4678   83.985   22.444   64.133   21.101 19.85218 30.80507 
1 1 1  -41   14   10 f   49.338   14.510   4.7421   6.3843   2.3654   10.195   6.2756   8.1888   48.191   20.963   50.486   20.067 -2.295368 29.01952 
1 1 1  -41   14   11 o   57.773   18.094   4.8976   10.723   5.4459   18.484   4.6194   13.165   60.810   27.246   54.735   23.816 6.075493 36.18747 
1 1 1  -41   14   12 o   59.440   18.255   0.3246   10.733   21.935   18.623 -10.4234   13.133   75.949   30.238   42.932   20.461 33.01680 36.51033 
1 1 1  -41   14   13 o   35.002   12.227 -19.7552   8.0779 -19.9171   10.346 -19.5023   12.928   32.220   15.951   37.784   18.534 -5.563808 24.45321 
1 1 1  -41   14   14 o   61.017   15.483   10.792   6.6061   16.996   10.186   6.2880   8.6792   70.652   23.137   51.383   20.581 19.26915 30.96612 
1 1 1  -41   14   15 o   61.993   15.733   12.214   6.7115   10.853   10.330   13.208   8.8285   60.193   22.921   63.792   21.558 -3.598888 31.46659 
1 1 1  -41   14   16 o   60.163   15.269   9.4688   6.7659   18.491   10.213   2.4115   9.0325   73.697   23.073   46.629   20.003 27.06755 30.53699 
1 1 1  -41   14   17 o   83.916   14.346   24.422   7.0409   12.196   10.973   32.981   9.1802   62.822   23.695  105.011   16.178 -42.18864 28.69106 
1 1 1  -41   14   18 o  125.642   11.184   47.067   7.5041   46.349   11.427   47.611   9.9506  123.838   17.075  127.446   14.449 -3.608444 22.36834 
1 1 1  -41   14   19 o   57.310   15.190   8.8701   7.0265  -0.4687   11.167   14.992   9.0407   47.265   21.177   67.355   21.782 -20.08992 30.37972 
1 1 1  -41   14   20 o   30.548   10.751 -20.0993   6.8059 -24.1167   10.987 -17.5981   8.6694   31.793   15.855   29.303   14.524 2.490040 21.50146 
1 1 1  -41   14   21 o   54.008   15.387   6.5578   6.8894   12.934   10.978   2.4143   8.8491   62.470   23.667   45.546   19.671 16.92439 30.77443 
1 1 1  -41   14   22 o   53.242   14.722   3.1618   6.8673   19.288   11.082  -6.8905   8.7497   71.035   24.153   35.450   16.840 35.58463 29.44395 
1 1 1  -41   14   23 o   42.381   13.464  -0.3164   6.7325  -8.0780   10.801   4.6149   8.6096   38.318   18.342   46.444   19.715 -8.125870 26.92848 
1 1 1  -41   14   24 o   39.587   13.098  -3.9873   6.9273  -3.3634   10.496  -4.4689   9.2210   41.209   19.217   37.965   17.804 3.244133 26.19671 
1 1 1  -41   14   25 o   61.969   16.147   13.059   7.8760   20.456   10.517   3.6126   11.885   73.774   23.455   50.164   22.198 23.61061 32.29403 
1 1 1  -41   14   26 o   48.641   14.786   2.5262   7.0834   10.252   11.059  -2.8485   9.2238   57.321   23.135   39.961   18.419 17.35981 29.57189 
1 1 1  -41   14   27 o   46.502   14.869  -1.2726   7.5381   9.0225   13.108  -6.3593   9.2140   56.304   24.124   36.700   17.389 19.60352 29.73821 
1 1 1  -41   14   28 o   33.203   11.547 -14.5803   7.2000 -16.2306   10.896 -13.3012   9.5926   33.775   16.655   32.632   15.999 1.143707 23.09448 
1 1 1  -41   14   29 o   54.996   15.392   6.1890   8.6670   21.671   11.321 -15.7365   13.472   71.848   24.412   38.145   18.754 33.70235 30.78345 
1 1 1  -41   15    1 o   89.899   13.422   26.989   6.3607   18.190   9.8394   33.307   8.3371   73.315   22.598  106.484   14.489 -33.16917 26.84365 
1 1 1  -41   15    2 o   47.723   13.873   3.2634   6.2344  -5.0342   9.9554   8.6170   7.9966   40.754   18.907   54.693   20.307 -13.93940 27.74610 
1 1 1  -41   15    3 o   45.545   13.845   0.5203   6.2439   6.8591   9.6269  -4.0824   8.2034   53.517   21.590   37.574   17.337 15.94364 27.68944 
1 1 1  -41   15    4 o   63.634   15.598   12.634   6.4572   16.187   10.231   10.281   8.3245   69.260   23.209   58.008   20.847 11.25182 31.19671 
1 1 1  -41   15    5 o   53.045   14.939   6.7451   6.3093   8.7964   10.055   5.4130   8.1029   56.814   22.345   49.276   19.833 7.538483 29.87748 
1 1 1  -41   15    6 o   56.752   15.274   8.3009   6.2902   13.486   10.585   5.4703   7.8210   64.554   23.463   48.950   19.561 15.60479 30.54786 
1 1 1  -41   15    7 o   52.725   15.172   6.0784   6.6114   8.2371   10.780   4.7769   8.3705   56.737   22.862   48.713   19.953 8.023136 30.34453 
1 1 1  -41   15    8 o   94.501   14.348   28.199   7.0132   33.916   11.124   24.427   9.0350  101.989   20.888   87.014   19.677 14.97490 28.69619 
1 1 1  -41   15    9 o   35.368   12.021 -10.3115   6.5782 -12.3434   10.501  -8.9990   8.4395   36.701   17.701   34.035   16.271 2.666115 24.04263 
1 1 1  -41   15   10 o   52.942   16.041   4.4912   8.1260 -18.8108   19.895   9.1571   8.9024   49.418   23.962   56.467   21.332 -7.048840 32.08138 
1 1 1  -41   15   11 o   84.546   19.848   27.888   11.896   11.709   19.558   37.387   14.986   67.533   29.206  101.558   26.886 -34.02409 39.69670 
1 1 1  -41   15   12 o  203.408   12.539  122.553   13.389  141.847   22.220  111.554   16.777  213.543   19.257  193.274   16.064 20.26875 25.07757 
1 1 1  -41   15   13 o   82.479   22.766   23.064   10.479   23.064   10.479   0.0000   0.0000   82.479   22.766  ?   ?       ?      ? 
1 1 1  -41   15   14 o   64.315   15.955   13.113   6.7960   15.372   10.482   11.476   8.9262   67.961   23.478   60.670   21.610 7.291393 31.90949 
1 1 1  -41   15   15 o   30.736   10.790 -19.8436   6.8208 -21.9788   10.353 -18.2059   9.0668   31.389   15.610   30.083   14.900 1.305765 21.57989 
1 1 1  -41   15   16 o  117.846   11.827   41.872   7.4368   43.611   11.524   40.631   9.7353  118.981   17.924  116.712   15.436 2.268738 23.65497 
1 1 1  -41   15   17 o   40.989   13.299  -3.1192   6.6862  -7.4432   10.851  -0.4728   8.4892   40.331   19.037   41.647   18.576 -1.316601 26.59862 
1 1 1  -41   15   18 o   42.296   13.626  -1.6872   6.8109  -1.4234   10.328  -1.8902   9.0602   43.719   19.900   40.873   18.618 2.845676 27.25158 
1 1 1  -41   15   19 o   43.795   13.987   0.0746   6.9204   1.4281   10.850  -0.8538   8.9857   46.447   20.838   41.144   18.664 5.302982 27.97417 
1 1 1  -41   15   20 o   58.590   15.787   12.331   6.9386   10.905   10.981   13.278   8.9519   56.751   23.002   60.429   21.628 -3.677845 31.57314 
1 1 1  -41   15   21 o   65.813   21.791   16.138   9.0257   0.0000   0.0000   16.138   9.0257  ?   ?    65.813   21.791      ?      ? 
1 1 1  -41   15   22 o   66.484   15.549   14.171   6.8394   25.689   10.928   6.7534   8.7695   82.726   23.398   50.242   20.483 32.48447 31.09735 
1 1 1  -41   15   23 o   44.067   13.663  -3.8691   6.8052   10.185   10.385 -14.4467   9.0091   56.873   22.600   31.260   15.362 25.61308 27.32689 
1 1 1  -41   15   24 o   61.776   16.732   12.798   7.9203   8.1150   10.629   18.644   11.877   54.035   22.346   69.517   24.909 -15.48153 33.46348 
1 1 1  -41   15   25 o   48.934   14.983   4.7705   7.3647   1.7894   11.289   6.9796   9.7176   46.935   21.139   50.932   21.239 -3.997547 29.96602 
1 1 1  -41   15   26 o   59.788   15.882   13.775   7.3876   6.5338   13.101   17.150   8.9453   52.367   23.233   67.209   21.660 -14.84281 31.76367 
1 1 1  -41   15   27 o   43.277   14.213  -1.4308   7.9507  -2.3319   10.746  -0.3410   11.818   41.742   19.459   44.813   20.723 -3.071671 28.42674 
1 1 1  -41   16    1 f   40.216   12.538  -4.2555   6.1535 -18.3108   9.6042   5.5322   8.0146   31.254   15.454   49.179   19.749 -17.92407 25.07695 
1 1 1  -41   16    2 o   55.840   12.715  -1.7856   6.2316   23.932   9.8656 -18.8582   8.0381   84.565   21.532   27.114   13.528 57.45094 25.42919 
1 1 1  -41   16    3 o   42.841   13.378  -3.3514   6.2815   6.5154   9.8569 -10.0985   8.1509   53.234   21.711   32.447   15.635 20.78691 26.75508 
1 1 1  -41   16    4 o   46.319   14.207   1.7737   6.5035   2.8253   10.044   1.0144   8.5340   48.780   21.013   43.858   19.127 4.922165 28.41443 
1 1 1  -41   16    5 o   70.620   15.790   16.324   6.6521   19.815   10.537   14.011   8.5773   75.847   23.386   65.394   21.223 10.45280 31.58087 
1 1 1  -41   16    6 o   40.064   13.052  -3.7350   6.4194  -5.5605   10.378  -2.6036   8.1701   41.175   19.170   38.953   17.719 2.222118 26.10486 
1 1 1  -41   16    7 o   35.702   12.109  -9.8180   6.5627 -10.3254   10.422  -9.4845   8.4480   37.748   18.056   33.655   16.140 4.093315 24.21768 
1 1 1  -41   16    8 o   36.385   12.298  -9.4935   6.7635 -11.2842   10.372  -8.1690   8.9209   36.984   17.775   35.785   17.000 1.199398 24.59603 
1 1 1  -41   16    9 o   38.969   13.032  -8.0915   6.9016  -3.5041   11.336 -10.7930   8.6996   44.616   20.511   33.322   16.081 11.29465 26.06329 
1 1 1  -41   16   10 o   60.011   18.691   5.2505   11.304   13.822   18.950   0.5153   14.084   67.866   29.040   52.155   23.540 15.71121 37.38220 
1 1 1  -41   16   11 o   52.327   17.277 -10.6468   11.614   11.755   19.358 -23.2432   14.516   65.841   28.758   38.813   19.155 27.02798 34.55394 
1 1 1  -41   16   12 o   51.845   14.817   4.3743   6.8296   13.455   10.311  -2.7232   9.1161   63.222   23.131   40.468   18.526 22.75408 29.63487 
1 1 1  -41   16   13 o   83.886   15.338   24.468   6.9487   25.553   10.678   23.672   9.1512   84.430   22.849   83.342   20.469 1.088646 30.67671 
1 1 1  -41   16   14 o   75.117   15.483   20.915   7.0432   14.077   10.536   26.438   9.4698   62.670   23.302   87.565   20.393 -24.89557 30.96544 
1 1 1  -41   16   15 o  113.630   12.640   42.900   7.3336   35.594   10.913   48.917   9.9032  100.941   20.702  126.319   14.508 -25.37804 25.27941 
1 1 1  -41   16   16 o   42.855   13.786  -2.4662   7.0232   6.3393   10.943  -8.6328   9.1580   51.032   21.958   34.678   16.676 16.35428 27.57262 
1 1 1  -41   16   17 o   72.830   16.434   20.508   7.2438   21.853   11.082   19.504   9.5718   73.943   24.130   71.718   22.319 2.225189 32.86889 
1 1 1  -41   16   18 o   39.506   13.124  -4.7340   7.0676  -5.8346   10.968  -3.9525   9.2423   40.391   19.089   38.620   18.018 1.771240 26.24891 
1 1 1  -41   16   19 o   41.646   13.434  -3.9145   6.6956   5.0656   10.584  -9.9062   8.6454   50.218   21.601   33.074   15.979 17.14342 26.86864 
1 1 1  -41   16   20 o   38.842   12.778  -6.5867   6.9797 -18.5055   10.941   1.5935   9.0638   33.462   16.536   44.222   19.486 -10.76037 25.55700 
1 1 1  -41   16   21 f   41.541   13.502  -2.2488   6.9386  -5.5635   10.956  -0.0287   8.9660   40.936   19.264   42.146   18.923 -1.210026 27.00309 
1 1 1  -41   16   22 o   46.350   14.139  -0.4106   6.8352   12.158   10.712  -9.0439   8.8775   58.785   23.082   33.916   16.336 24.86974 28.27789 
1 1 1  -41   16   23 o   63.561   16.999   15.676   8.0062   12.271   10.714   19.982   12.048   58.069   22.994   69.052   25.042 -10.98337 33.99744 
1 1 1  -41   16   24 o   46.193   14.839   1.6931   8.0263  -0.1009   10.816   3.8919   11.974   43.733   20.079   48.654   21.855 -4.920982 29.67831 
1 1 1  -41   17    1 o   80.123   14.154   22.161   6.3996   33.382   9.7163   13.563   8.5049   99.174   18.819   61.072   21.145 38.10219 28.30704 
1 1 1  -41   17    2 o   54.883   15.044   10.076   6.4722   7.4206   9.7991   12.131   8.6201   51.387   21.370   58.378   21.181 -6.990425 30.08832 
1 1 1  -41   17    3 o   56.864   14.673   8.1880   6.5905   20.958   10.180  -1.0249   8.6470   73.779   23.026   39.948   18.194 33.83118 29.34657 
1 1 1  -41   17    4 o   73.886   14.862   18.469   6.5045   30.251   10.337   10.746   8.3691   91.801   21.256   55.971   20.776 35.83001 29.72333 
1 1 1  -41   17    5 o   64.330   15.701   14.906   6.6261   19.713   10.223   11.425   8.7011   71.442   23.169   57.217   21.195 14.22457 31.40127 
1 1 1  -41   17    6 o   52.149   14.691   6.5361   6.4536   14.921   10.040   0.6329   8.4244   62.977   22.858   41.321   18.462 21.65611 29.38236 
1 1 1  -41   17    7 o   40.790   13.101  -1.5422   6.5403  -8.2731   10.136   3.2593   8.5611   36.947   17.708   44.634   19.313 -7.687038 26.20181 
1 1 1  -41   17    8 o   39.624   13.035  -3.4009   6.8275  -8.4014   10.891  -0.1637   8.7631   38.248   18.338   41.000   18.531 -2.751965 26.07021 
1 1 1  -41   17    9 o   72.509   20.338   18.381   12.127   47.297   20.826   3.5450   14.918   93.073   33.024   51.944   23.750 41.12900 40.67680 
1 1 1  -41   17   10 o   56.562   18.091   7.8350   11.500   10.653   18.891   6.1757   14.495   59.435   27.000   53.688   24.086 5.746483 36.18200 
1 1 1  -41   17   11 o   37.545   12.546  -5.5771   6.7008  -7.5725   10.047  -3.9786   8.9929   37.223   17.783   37.866   17.702 -0.6430359 25.09175 
1 1 1  -41   17   12 o   49.442   14.744   5.9620   6.7155   5.3683   10.196   6.4168   8.9245   49.424   21.229   49.460   20.467 -0.3553391E-01 29.48852 
1 1 1  -41   17   13 o   62.996   14.242   13.107   6.9047  -1.7256   10.605   24.023   9.0974   43.139   19.834   82.853   20.445 -39.71399 28.48486 
1 1 1  -41   17   14 o  108.039   13.450   39.132   7.4367   34.617   11.471   42.404   9.7671   98.773   22.051  117.305   15.409 -18.53124 26.90081 
1 1 1  -41   17   15 f   39.756   13.212  -6.4302   7.1132  -0.4599   11.060 -10.6412   9.2890   45.373   20.630   34.139   16.510 11.23395 26.42324 
1 1 1  -41   17   16 o   62.424   16.242   13.682   7.1356   14.634   11.064   13.004   9.3371   63.700   23.839   61.147   22.066 2.553318 32.48410 
1 1 1  -41   17   17 o   74.969   15.644   21.104   7.1645   14.189   10.958   26.267   9.4685   62.763   23.678   87.174   20.453 -24.41040 31.28822 
1 1 1  -41   17   18 o   69.953   16.410   17.940   7.1597   23.328   11.342   14.371   9.2314   77.077   24.343   62.829   22.014 14.24812 32.82061 
1 1 1  -41   17   19 o   51.802   14.965   5.5757   6.9619   15.603   10.784  -1.5892   9.1160   63.447   23.577   40.157   18.436 23.28940 29.92931 
1 1 1  -41   17   20 o   56.279   15.570   9.2288   7.1401   19.325   11.215   2.3466   9.2592   68.468   24.240   44.090   19.548 24.37750 31.13971 
1 1 1  -41   17   21 o   45.377   14.279   1.4785   7.0560   8.3570   10.932  -3.4331   9.2378   52.435   22.235   38.319   17.922 14.11583 28.55859 
1 1 1  -41   18    1 o   66.970   15.474   15.911   6.4040   17.950   9.7275   14.352   8.5077   70.043   22.588   63.897   21.157 6.146015 30.94894 
1 1 1  -41   18    2 o   51.656   14.583   7.1152   6.4643   1.4317   10.033   11.149   8.4523   45.582   20.272   57.731   20.969 -12.14950 29.16639 
1 1 1  -41   18    3 o   48.598   14.466   4.5579   6.4018   8.1254   9.9764   2.0606   8.3469   53.664   21.859   43.533   18.953 10.13050 28.93149 
1 1 1  -41   18    4 o   77.105   15.184   20.296   6.6171   28.020   10.333   14.926   8.6155   89.125   21.666   65.086   21.278 24.03881 30.36705 
1 1 1  -41   18    5 o   65.067   14.620   14.700   6.8543   2.6103   10.590   23.415   8.9917   47.676   21.033   82.458   20.313 -34.78231 29.24021 
1 1 1  -41   18    6 o   75.752   15.138   21.366   6.8137   14.360   10.853   25.923   8.7539   63.294   23.626   88.210   18.932 -24.91569 30.27561 
1 1 1  -41   18    7 o   57.778   15.804   10.956   7.0049   9.5622   11.132   11.869   9.0128   56.435   23.051   59.122   21.626 -2.687016 31.60766 
1 1 1  -41   18    8 o   62.495   19.709   10.558   12.714   18.374   22.329   6.8086   15.467   68.322   30.321   56.669   25.188 11.65269 39.41796 
1 1 1  -41   18    9 o   49.278   16.885 -11.0261   11.862   2.5811   22.292 -16.4009   14.010   58.589   27.542   39.968   19.540 18.62095 33.76902 
1 1 1  -41   18   10 o   32.905   11.400 -13.5336   6.6853 -13.6747   10.461 -13.4361   8.6919   34.802   16.987   31.007   15.207 3.795509 22.79933 
1 1 1  -41   18   11 o   50.647   14.735   5.3932   6.5679   12.118   10.252   0.7114   8.5539   59.241   22.768   42.053   18.710 17.18768 29.46934 
1 1 1  -41   18   12 o   56.684   15.073   10.646   6.8004   3.1780   10.781   15.581   8.7640   47.886   21.169   65.483   21.463 -17.59679 30.14571 
1 1 1  -41   18   13 o   48.177   14.359   2.2575   6.7564   13.142   10.469  -5.5113   8.8448   60.001   23.021   36.354   17.168 23.64773 28.71779 
1 1 1  -41   18   14 o   46.359   13.154   0.6731   6.6225 -20.2712   10.718   13.608   8.4227   31.694   15.782   61.025   21.048 -29.33086 26.30730 
1 1 1  -41   18   15 o   43.947   13.817   1.8574   6.7053  -2.6747   10.644   4.8394   8.6339   41.561   19.371   46.334   19.708 -4.773056 27.63443 
1 1 1  -41   18   16 o   51.115   15.127   6.7471   6.9554   12.713   10.994   2.7653   8.9813   58.192   23.213   44.037   19.401 14.15543 30.25326 
1 1 1  -41   18   17 o   59.736   15.974   13.360   6.9977   16.734   10.828   10.940   9.1701   64.121   23.665   55.351   21.461 8.770195 31.94708 
1 1 1  -41   19    1 o   41.928   13.273   0.4410   6.4300  -5.3054   9.6918   4.9592   8.5938   37.678   17.847   46.178   19.653 -8.500183 26.54692 
1 1 1  -41   19    2 o   60.120   15.389   12.687   6.6221   20.104   10.161   7.2106   8.7310   70.778   23.106   49.462   20.333 21.31590 30.77831 
1 1 1  -41   19    3 o   41.165   13.332  -0.6063   6.6062  -0.2769   10.214  -0.8432   8.6618   42.700   19.571   39.630   18.111 3.070847 26.66469 
1 1 1  -41   19    4 o   69.710   15.750   19.374   6.8512   16.080   10.841   21.565   8.8402   63.175   23.607   76.245   20.855 -13.06989 31.49961 
1 1 1  -41   19    5 f   46.892   14.455   4.0277   6.8234   7.5395   10.503   1.4636   8.9752   51.231   21.763   42.554   19.032 8.677246 28.91073 
1 1 1  -41   19    6 o   41.836   13.601  -0.7407   6.9638  -0.9679   10.845  -0.5812   9.0841   43.040   19.885   40.633   18.561 2.406952 27.20112 
1 1 1  -41   19    7 o   68.895   20.698   24.125   13.118   29.032   21.706   21.302   16.465   70.946   30.725   66.844   27.741 4.101662 41.39553 
1 1 1  -41   19    8 o   53.481   17.927  -4.0808   12.857   23.288   22.032 -18.2140   15.833   66.516   29.778   40.445   19.969 26.07082 35.85406 
1 1 1  -41   19    9 o   38.336   12.843  -5.8900   6.8770  -0.3499   10.919  -9.5326   8.8537   43.611   20.079   33.062   16.020 10.54908 25.68638 
1 1 1  -40    0    1 o  135.559   7.1688   50.992   7.3309   50.992   7.3309   50.992   7.3309  135.559   10.138  135.559   10.138 0.000000 0.000000 
1 1 1  -40    0    2 o   22.489   10.926  -4.0285   6.1083  -4.0285   6.1083  -4.0285   6.1083   22.489   15.452   22.489   15.452 0.000000 0.000000 
1 1 1  -40    0    3 o   49.912   16.156   10.215   6.7223   10.215   6.7223   10.215   6.7223   49.912   22.849   49.912   22.849 0.000000 0.000000 
1 1 1  -40    0    4 o   26.305   12.251  -0.9274   6.2865  -0.9274   6.2865  -0.9274   6.2865   26.305   17.325   26.305   17.325 0.000000 0.000000 
1 1 1  -40    0    5 o   57.985   16.198   12.957   6.9050   12.957   6.9050   12.957   6.9050   57.985   22.908   57.985   22.908 0.000000 0.000000 
1 1 1  -40    0    6 o  103.775   9.3147   30.942   7.0626   30.942   7.0626   30.942   7.0626  103.775   13.173  103.775   13.173 0.000000 0.000000 
1 1 1  -40    0    7 f   43.114   15.910   7.7302   6.8567   7.7302   6.8567   7.7302   6.8567   43.114   22.500   43.114   22.500 0.000000 0.000000 
1 1 1  -40    0    8 o   85.606   12.175   22.514   7.0608   22.514   7.0608   22.514   7.0608   85.606   17.218   85.606   17.218 0.000000 0.000000 
1 1 1  -40    0    9 o   85.517   12.701   22.696   7.3091   22.696   7.3091   22.696   7.3091   85.517   17.962   85.517   17.962 0.000000 0.000000 
1 1 1  -40    0   10 f   65.532   15.735   15.497   7.0605   15.497   7.0605   15.497   7.0605   65.532   22.253   65.532   22.253 0.000000 0.000000 
1 1 1  -40    0   11 o   19.382   9.8361 -11.1179   6.9403 -11.1179   6.9403 -11.1179   6.9403   19.382   13.910   19.382   13.910 0.000000 0.000000 
1 1 1  -40    0   12 o   54.627   16.420   11.926   6.9621   11.926   6.9621   11.926   6.9621   54.627   23.222   54.627   23.222 0.000000 0.000000 
1 1 1  -40    0   13 o   61.030   21.227   16.216   11.809   16.216   11.809   16.216   11.809   61.030   30.019   61.030   30.019 0.000000 0.000000 
1 1 1  -40    0   16 o   29.563   13.668  -0.4493   7.6143  -0.4493   7.6143  -0.4493   7.6143   29.563   19.329   29.563   19.329 0.000000 0.000000 
1 1 1  -40    0   17 f  171.831   6.6026   81.255   8.6115   81.255   8.6115   81.255   8.6115  171.831   9.3375  171.831   9.3375 0.000000 0.000000 
1 1 1  -40    0   18 o   38.232   15.460   5.5632   7.1247   5.5632   7.1247   5.5632   7.1247   38.232   21.864   38.232   21.864 0.000000 0.000000 
1 1 1  -40    0   19 o  205.055   6.1226  115.218   9.5553  115.218   9.5553  115.218   9.5553  205.055   8.6586  205.055   8.6586 0.000000 0.000000 
1 1 1  -40    0   20 o   20.803   10.444  -8.9970   7.0457  -8.9970   7.0457  -8.9970   7.0457   20.803   14.770   20.803   14.770 0.000000 0.000000 
1 1 1  -40    0   21 o   27.171   12.744  -1.3704   6.9998  -1.3704   6.9998  -1.3704   6.9998   27.171   18.023   27.171   18.023 0.000000 0.000000 
1 1 1  -40    0   22 o   79.933   13.631   20.628   7.2191   20.628   7.2191   20.628   7.2191   79.933   19.277   79.933   19.277 0.000000 0.000000 
1 1 1  -40    0   23 f   28.387   13.130  -0.3810   7.0390  -0.3810   7.0390  -0.3810   7.0390   28.387   18.568   28.387   18.568 0.000000 0.000000 
1 1 1  -40    0   24 o   52.294   16.836   11.420   7.2958   11.420   7.2958   11.420   7.2958   52.294   23.810   52.294   23.810 0.000000 0.000000 
1 1 1  -40    0   25 o   65.177   16.282   15.817   7.3708   15.817   7.3708   15.817   7.3708   65.177   23.026   65.177   23.026 0.000000 0.000000 
1 1 1  -40    0   26 o  151.415   7.3721   63.802   8.4374   63.802   8.4374   63.802   8.4374  151.415   10.426  151.415   10.426 0.000000 0.000000 
1 1 1  -40    0   27 o   27.506   12.937  -1.5013   7.2946  -1.5013   7.2946  -1.5013   7.2946   27.506   18.295   27.506   18.295 0.000000 0.000000 
1 1 1  -40    0   28 o   98.544   11.145   29.001   7.7494   29.001   7.7494   29.001   7.7494   98.544   15.762   98.544   15.762 0.000000 0.000000 
1 1 1  -40    0   29 o   61.757   17.469   15.191   7.9969   15.191   7.9969   15.191   7.9969   61.757   24.705   61.757   24.705 0.000000 0.000000 
1 1 1  -40    0   30 o   17.277   8.9709 -21.0353   7.9541 -21.0353   7.9541 -21.0353   7.9541   17.277   12.687   17.277   12.687 0.000000 0.000000 
1 1 1  -40    0   31 o  109.223   10.453   35.072   8.2746   35.072   8.2746   35.072   8.2746  109.223   14.783  109.223   14.783 0.000000 0.000000 
1 1 1  -40    0   32 o   52.675   17.997   12.192   8.4301   12.192   8.4301   12.192   8.4301   52.675   25.452   52.675   25.452 0.000000 0.000000 
1 1 1  -40    0   33 o   26.463   12.910  -5.4306   8.7367  -5.4306   8.7367  -5.4306   8.7367   26.463   18.257   26.463   18.257 0.000000 0.000000 
1 1 1  -40    0   34 o   27.785   13.885 -11.9572   11.975 -11.9572   11.975 -11.9572   11.975   27.785   19.637   27.785   19.637 0.000000 0.000000 
1 1 1  -40    0   35 o   21.157   10.777 -14.0721   8.6784 -14.0721   8.6784 -14.0721   8.6784   21.157   15.241   21.157   15.241 0.000000 0.000000 
1 1 1  -40    0   36 o   34.223   16.422  -3.8221   12.902  -3.8221   12.902  -3.8221   12.902   34.223   23.225   34.223   23.225 0.000000 0.000000 
1 1 1  -40    0   37 o   90.360   16.079   27.578   9.6028   27.578   9.6028   27.578   9.6028   90.360   22.739   90.360   22.739 0.000000 0.000000 
1 1 1  -40    0   38 o   24.321   12.048  -7.3360   8.4257  -7.3360   8.4257  -7.3360   8.4257   24.321   17.039   24.321   17.039 0.000000 0.000000 
1 1 1  -40    0   39 o   32.996   15.051   2.1724   8.8120   2.1724   8.8120   2.1724   8.8120   32.996   21.285   32.996   21.285 0.000000 0.000000 
1 1 1  -40    0   40 o   57.736   18.907   15.579   9.2177   15.579   9.2177   15.579   9.2177   57.736   26.739   57.736   26.739 0.000000 0.000000 
1 1 1  -40    0   41 o   26.593   13.072  -6.1554   9.3967  -6.1554   9.3967  -6.1554   9.3967   26.593   18.487   26.593   18.487 0.000000 0.000000 
1 1 1  -40    1    1 o  109.458   12.269   33.385   7.2569   33.385   7.2569   0.0000   0.0000  109.458   12.269  ?   ?       ?      ? 
1 1 1  -40    1    2 o   74.875   10.739   15.962   4.8024   31.710   7.0605   2.4038   6.5513  106.701   12.246   43.049   17.645 63.65179 21.47780 
1 1 1  -40    1    3 o   57.591   12.575   8.9961   4.7657   2.7597   6.8173   14.957   6.6648   44.298   18.060   70.885   17.504 -26.58638 25.15062 
1 1 1  -40    1    4 o   95.232   9.9530   26.023   4.9399   29.643   6.8792   22.169   7.0980  103.159   12.341   87.305   15.619 15.85355 19.90600 
1 1 1  -40    1    5 o  109.216   8.6434   33.309   5.0636   28.587   7.1166   38.150   7.2062  101.135   13.022  117.298   11.369 -16.16265 17.28681 
1 1 1  -40    1    6 o   47.901   12.665   4.3067   4.7449   9.1001   6.7056  -0.5000   6.7149   56.774   18.782   39.029   16.995 17.74525 25.32997 
1 1 1  -40    1    7 o   63.838   12.557   11.995   4.7940   6.2800   6.8820   17.382   6.6818   50.921   18.852   76.754   16.594 -25.83359 25.11474 
1 1 1  -40    1    8 o   55.228   12.488   7.0831   5.0329  -1.8079   7.2530   15.340   6.9896   38.821   17.252   71.635   18.061 -32.81308 24.97681 
1 1 1  -40    1    9 o  101.763   9.4225   29.049   5.1750   28.020   7.4069   30.030   7.2332   99.890   13.722  103.635   12.916 -3.745682 18.84491 
1 1 1  -40    1   10 o  125.270   7.7667   43.362   5.2490   45.583   7.6945   41.429   7.1787  128.227   11.105  122.312   10.861 5.915604 15.53350 
1 1 1  -40    1   11 o  119.897   8.2089   40.038   5.2914   35.247   7.4333   44.959   7.5341  112.426   12.236  127.369   10.947 -14.94308 16.41771 
1 1 1  -40    1   12 o  186.141   6.3262   95.102   6.3584   91.153   8.7943   99.429   9.2040  182.101   8.9371  190.182   8.9561 -8.080658 12.65247 
1 1 1  -40    1   13 o   39.325   12.876  -6.1859   6.4706  -6.0901   8.8652  -6.2950   9.4658   38.641   17.897   40.009   18.517 -1.368618 25.75236 
1 1 1  -40    1   15 o   36.550   17.410 -10.6622   9.4816   0.0000   0.0000 -10.6622   9.4816  ?   ?    36.550   17.410      ?      ? 
1 1 1  -40    1   16 o   51.796   13.197  -3.5622   5.8121 -14.4513   7.1343   17.926   10.022   27.436   13.519   76.156   22.669 -48.71976 26.39435 
1 1 1  -40    1   17 o   39.021   12.139  -1.0176   4.9554  -0.5362   6.8091  -1.5597   7.2253   39.110   17.070   38.932   17.264 0.1784668 24.27832 
1 1 1  -40    1   18 o   91.373   11.296   24.700   5.3258   30.897   7.4706   18.295   7.5947  104.848   13.186   77.898   18.345 26.95045 22.59244 
1 1 1  -40    1   19 o  243.819   5.7788  163.316   7.6071  158.419   10.870  168.015   10.649  240.137   8.3771  247.501   7.9625 -7.363724 11.55755 
1 1 1  -40    1   20 o   81.250   12.123   19.496   5.3592   29.546   7.8577   10.756   7.3280  102.039   14.251   60.461   19.617 41.57745 24.24680 
1 1 1  -40    1   21 o  146.212   7.3770   59.372   5.8280   58.902   8.2712   59.835   8.2131  145.607   10.512  146.817   10.352 -1.209671 14.75405 
1 1 1  -40    1   22 o   44.548   12.434   1.1539   5.0120   8.8150   7.1817  -6.1204   6.9980   55.984   19.428   33.113   15.523 22.87119 24.86773 
1 1 1  -40    1   23 f   35.380   11.477  -3.9764   4.9788  -3.6661   7.1672  -4.2658   6.9213   36.061   16.478   34.698   15.979 1.362965 22.95327 
1 1 1  -40    1   24 o   45.965   13.041   3.3450   5.0206   6.4617   7.3808   0.6611   6.8492   51.352   19.418   40.579   17.414 10.77321 26.08232 
1 1 1  -40    1   25 o   61.888   13.951   11.562   5.2829   13.045   7.5142   10.112   7.4287   65.136   19.684   58.641   19.776 6.495808 27.90215 
1 1 1  -40    1   26 o   65.960   13.533   13.098   5.3237   18.463   7.7129   8.2155   7.3574   77.357   18.666   54.563   19.600 22.79474 27.06558 
1 1 1  -40    1   27 o   55.878   13.961   8.7758   5.2759   9.9848   7.5234   7.6059   7.4006   58.354   19.900   53.402   19.587 4.951550 27.92273 
1 1 1  -40    1   28 f   65.512   14.068   12.941   5.5691   17.477   8.1124   8.8973   7.6589   74.800   19.771   56.225   20.018 18.57479 28.13585 
1 1 1  -40    1   29 o   74.862   13.855   17.601   5.7398   14.198   8.1267   20.988   8.1081   67.334   20.498   82.389   18.647 -15.05481 27.71026 
1 1 1  -40    1   30 o  110.486   10.684   36.776   5.9319   47.338   8.3005   25.751   8.4802  129.298   11.880   91.675   17.760 37.62278 21.36721 
1 1 1  -40    1   31 f   43.491   13.053   1.1470   5.4769   4.8907   7.8393  -2.4229   7.6552   48.668   19.536   38.314   17.318 10.35411 26.10676 
1 1 1  -40    1   32 o   38.225   12.379  -3.7947   5.7838  -5.3686   8.2099  -2.2440   8.1494   36.740   17.087   39.710   17.916 -2.969891 24.75786 
1 1 1  -40    1   33 o   78.150   15.965   21.201   7.1435   23.367   8.8029   17.023   12.225   85.425   19.499   70.875   25.285 14.55022 31.93025 
1 1 1  -40    1   34 o  118.988   11.515   43.657   6.9947   33.178   9.9650   53.834   9.8207  102.137   18.746  135.838   13.379 -33.70065 23.03092 
1 1 1  -40    1   35 o   42.070   18.883  -1.1535   8.9202   0.0000   0.0000  -1.1535   8.9202  ?   ?    42.070   18.883      ?      ? 
1 1 1  -40    1   36 o   37.945   12.801 -10.4536   6.9249 -14.3930   8.7463  -3.8356   11.336   31.312   15.336   44.579   20.500 -13.26751 25.60162 
1 1 1  -40    1   37 o   87.194   15.738   20.666   7.5955   10.160   9.0962   44.865   13.805   58.382   21.662  116.006   22.835 -57.62445 31.47500 
1 1 1  -40    1   38 o   62.812   14.914   12.082   6.4523   20.148   9.4508   5.0406   8.8306   76.466   21.806   49.157   20.352 27.30819 29.82791 
1 1 1  -40    1   39 o   71.522   15.190   18.666   6.6307   25.355   9.5886   12.537   9.1792   83.862   21.160   59.182   21.798 24.68017 30.37915 
1 1 1  -40    1   40 o   50.459   14.601   5.9905   6.5209   1.4067   8.9902   11.079   9.4726   43.559   19.290   57.358   21.923 -13.79868 29.20148 
1 1 1  -40    1   41 o   54.127   15.075   8.4596   6.6603   4.3761   9.4042   12.569   9.4339   47.991   20.494   60.263   22.113 -12.27137 30.14986 
1 1 1  -40    2    1 o   44.307   12.564   2.5586   4.7659  -1.0482   6.7747   6.0923   6.7058   38.411   16.889   50.203   18.605 -11.79173 25.12704 
1 1 1  -40    2    2 o   63.707   12.872   12.029   4.7398   9.1396   6.7446   14.849   6.6624   56.842   18.838   70.572   17.546 -13.72977 25.74335 
1 1 1  -40    2    3 o   65.281   12.780   12.672   4.6824   11.160   6.5874   14.216   6.6570   61.531   18.393   69.032   17.748 -7.501335 25.55945 
1 1 1  -40    2    4 o   81.218   11.444   19.341   4.8453   18.500   6.7601   20.231   6.9483   79.312   16.318   83.124   16.050 -3.811455 22.88843 
1 1 1  -40    2    5 o  112.263   8.3884   35.062   5.0801   32.629   7.1557   37.535   7.2134  108.232   12.235  116.293   11.479 -8.061111 16.77677 
1 1 1  -40    2    6 o  148.160   6.9513   60.495   5.5647   60.560   7.9242   60.432   7.8163  148.219   9.8937  148.100   9.7670 0.1193390 13.90250 
1 1 1  -40    2    7 o   77.220   12.235   17.747   5.0208   22.190   7.1875   13.513   7.0166   87.218   15.834   67.221   18.657 19.99621 24.47050 
1 1 1  -40    2    8 o  103.377   9.5285   29.748   5.2675   36.194   7.7894   24.317   7.1504  113.842   12.662   92.912   14.242 20.92957 19.05699 
1 1 1  -40    2    9 o  131.453   7.8603   47.768   5.5699   52.658   8.0985   43.380   7.6727  137.891   10.869  125.015   11.358 12.87569 15.72051 
1 1 1  -40    2   10 o   56.369   13.135   8.2500   4.9951   13.776   7.1526   2.9892   6.9789   67.758   18.848   44.980   18.298 22.77825 26.26917 
1 1 1  -40    2   11 o  130.599   7.8337   47.115   5.4884   55.433   8.0268   39.812   7.5215  141.555   10.494  119.643   11.634 21.91128 15.66733 
1 1 1  -40    2   12 f   58.756   15.256   8.0395   6.6464   2.7500   9.2046   13.802   9.6073   49.356   20.634   68.155   22.478 -18.79950 30.51291 
1 1 1  -40    2   13 o  142.329   10.201   57.218   7.8429   55.743   10.929   58.784   11.261  140.450   14.401  144.208   14.451 -3.757416 20.40139 
1 1 1  -40    2   14 o   94.856   22.578   27.973   11.406   0.0000   0.0000   27.973   11.406  ?   ?    94.856   22.578      ?      ? 
1 1 1  -40    2   15 o   77.993   13.860   18.407   7.9396  -6.7658   12.812   34.099   10.116   47.182   21.733  108.803   17.206 -61.62078 27.71950 
1 1 1  -40    2   16 o   52.829   15.455   3.2637   7.1390   7.5968   11.214   0.3110   9.2572   59.367   23.519   46.291   20.056 13.07577 30.90932 
1 1 1  -40    2   17 o   53.009   13.070   6.8160   4.9938   11.937   6.9470   1.3399   7.1837   63.252   18.884   42.766   18.073 20.48521 26.13925 
1 1 1  -40    2   18 o  122.918   8.1948   41.966   5.4221   47.384   7.8942   37.128   7.4601  130.530   11.192  115.305   11.973 15.22421 16.38953 
1 1 1  -40    2   19 o   77.648   12.664   18.152   5.1908   18.223   7.6860   18.093   7.0384   77.536   18.586   77.759   17.206 -0.2227554 25.32793 
1 1 1  -40    2   20 f   75.657   12.585   17.609   5.1430   12.671   7.4843   22.027   7.0791   64.773   19.660   86.541   15.717 -21.76800 25.17039 
1 1 1  -40    2   21 o   55.426   13.546   8.5041   5.0178   6.1644   7.1819   10.735   7.0135   50.693   19.158   60.160   19.157 -9.467342 27.09271 
1 1 1  -40    2   22 f   54.772   13.541   8.1304   5.0837   4.9682   7.3204   11.076   7.0652   48.665   19.090   60.880   19.211 -12.21476 27.08260 
1 1 1  -40    2   23 o   77.547   12.700   18.299   5.2307   16.137   7.3656   20.498   7.4294   72.555   18.676   82.540   17.214 -9.984215 25.39959 
1 1 1  -40    2   24 o   33.122   10.919  -6.5941   4.9059 -11.1318   6.8555  -1.8312   7.0236   28.533   13.888   37.710   16.853 -9.176483 21.83771 
1 1 1  -40    2   25 o   54.104   13.548   8.1082   4.9887   6.6949   7.1661   9.4371   6.9490   51.367   19.194   56.842   19.127 -5.474949 27.09658 
1 1 1  -40    2   26 f  122.372   8.8308   42.327   5.8004   48.859   8.3618   36.268   8.0529  131.787   11.742  112.958   13.193 18.82933 17.66158 
1 1 1  -40    2   27 o  111.746   9.5377   35.614   5.7494   33.876   8.2136   37.283   8.0505  108.864   13.963  114.628   12.997 -5.763901 19.07550 
1 1 1  -40    2   28 o  114.745   9.3386   37.347   5.7016   29.392   7.8194   46.378   8.3315  101.233   14.294  128.257   12.021 -27.02313 18.67728 
1 1 1  -40    2   29 o   71.017   14.007   15.737   5.6285   12.871   7.7669   18.906   8.1682   64.390   20.115   77.644   19.496 -13.25430 28.01302 
1 1 1  -40    2   30 o  152.682   7.7806   65.616   6.4134   65.388   9.2569   65.826   8.8939  152.290   11.249  153.074   10.752 -0.7846222 15.56112 
1 1 1  -40    2   31 o  105.944   10.923   32.890   6.2442   31.023   8.8292   34.759   8.8321  102.682   15.913  109.206   14.967 -6.524590 21.84519 
1 1 1  -40    2   32 o   48.059   14.701   1.9502   6.9555   4.4936   8.5210  -3.1284   12.041   49.090   20.122   47.028   21.438 2.062321 29.40203 
1 1 1  -40    2   33 o   68.078   16.860   13.966   7.3646   10.152   9.0227   21.581   12.748   58.322   21.587   77.835   25.903 -19.51332 33.71911 
1 1 1  -40    2   34 o   89.263   15.197   27.846   7.2982   21.626   12.393   31.148   9.0300   77.165   25.534  101.361   16.487 -24.19563 30.39414 
1 1 1  -40    2   35 o   36.997   12.647 -12.0626   7.4777 -30.3378   14.803  -5.8016   8.6645   36.927   18.413   37.066   17.343 -0.1392174 25.29455 
1 1 1  -40    2   36 o   50.184   15.406   2.9938   7.3345   1.4721   13.327   3.6550   8.7844   52.515   23.360   47.852   20.091 4.662991 30.81126 
1 1 1  -40    2   37 o   45.473   14.574  -1.7750   7.6592   0.4623   9.6900  -5.5000   12.503   45.545   20.105   45.400   21.106 0.1450920 29.14871 
1 1 1  -40    2   38 o   45.275   14.444  -0.7318   7.5725   2.9227   9.5014  -7.0946   12.537   47.154   20.374   43.396   20.478 3.757488 28.88707 
1 1 1  -40    2   39 o   51.665   14.991   7.7772   6.7051   6.8069   9.4483   8.7617   9.5171   50.270   20.951   53.060   21.446 -2.789955 29.98115 
1 1 1  -40    2   40 o   55.092   15.279   9.4475   6.6930   7.2686   9.5732   11.531   9.3611   51.877   21.304   58.308   21.907 -6.431236 30.55805 
1 1 1  -40    2   41 o   64.336   17.013   13.888   7.6828   9.8746   9.4859   21.541   13.098   55.687   21.762   72.984   26.158 -17.29699 34.02697 
1 1 1  -40    3    1 o   50.784   12.698   5.6636   4.6753   11.101   6.8532   0.9303   6.3942   61.389   18.849   40.179   17.020 21.20982 25.39587 
1 1 1  -40    3    2 o  121.650   7.8659   41.338   5.1291   37.658   7.5087   44.557   7.0230  116.296   11.948  127.004   10.233 -10.70861 15.73177 
1 1 1  -40    3    3 f  173.092   6.2168   81.865   5.7869   93.955   8.4887   71.368   7.9099  185.066   8.4884  161.118   9.0853 23.94879 12.43361 
1 1 1  -40    3    4 o   33.644   10.950  -4.9071   4.6973  -8.6966   6.9139  -1.6584   6.4016   30.788   14.721   36.500   16.215 -5.711952 21.90044 
1 1 1  -40    3    5 o   84.506   11.311   20.905   5.0152   17.503   7.2408   24.042   6.9531   76.557   17.834   92.454   13.918 -15.89678 22.62222 
1 1 1  -40    3    6 o  179.839   6.2697   88.703   6.0874   93.951   8.7921   83.871   8.4367  184.963   8.7966  174.714   8.9363 10.24886 12.53945 
1 1 1  -40    3    7 o   45.672   12.910   3.5661   4.8231   4.2482   6.9199   2.9217   6.7261   47.051   18.527   44.293   17.984 2.758579 25.82034 
1 1 1  -40    3    8 o  121.627   8.1372   41.253   5.3261   37.812   7.6307   44.522   7.4376  116.478   12.124  126.775   10.857 -10.29684 16.27438 
1 1 1  -40    3    9 o   80.377   11.917   18.790   5.1176   24.036   7.4690   14.147   7.0261   92.104   15.007   68.650   18.515 23.45320 23.83348 
1 1 1  -40    3   10 o  127.225   8.1201   45.031   5.5205   53.950   7.9710   36.809   7.6532  139.618   10.565  114.831   12.334 24.78667 16.24025 
1 1 1  -40    3   11 o   82.429   14.510   20.691   6.5640   15.065   9.1129   26.757   9.4626   70.505   21.750   94.354   19.212 -23.84902 29.02020 
1 1 1  -40    3   12 o   66.237   15.205   12.860   6.5472   17.619   8.8643   7.1464   9.7118   75.844   20.940   56.629   22.050 19.21575 30.40906 
1 1 1  -40    3   13 o   42.379   13.413  -3.1054   6.4432   0.5971   8.8887  -7.2050   9.3532   45.838   19.756   38.920   18.147 6.917774 26.82560 
1 1 1  -40    3   14 o   55.407   12.809   7.0175   6.2047 -24.6622   13.059   16.253   7.0514   37.208   18.326   73.605   17.901 -36.39709 25.61819 
1 1 1  -40    3   15 o  130.406   13.203   51.987   8.5728   41.036   13.390   59.595   11.160  115.558   22.251  145.253   14.218 -29.69531 26.40552 
1 1 1  -40    3   16 o   76.086   16.509   18.274   8.0273   8.5811   12.592   24.910   10.419   62.453   24.865   89.718   21.722 -27.26568 33.01713 
1 1 1  -40    3   17 o  234.791   5.9595  151.494   7.5551  145.202   10.713  157.720   10.656  229.848   8.6252  239.734   8.2261 -9.886444 11.91902 
1 1 1  -40    3   18 o  190.086   6.3671   99.745   6.5127   89.209   9.1915  110.368   9.2293  179.794   9.4607  200.378   8.5238 -20.58426 12.73421 
1 1 1  -40    3   19 o  108.213   9.2627   32.972   5.4156   33.720   7.7227   32.249   7.5964  109.433   13.060  106.994   13.139 2.439171 18.52546 
1 1 1  -40    3   20 o  119.774   8.5571   40.112   5.4893   47.608   7.9861   33.398   7.5578  130.630   11.314  108.917   12.841 21.71236 17.11428 
1 1 1  -40    3   21 o   61.840   13.688   11.423   5.0892   12.552   7.3433   10.379   7.0596   64.352   19.461   59.327   19.254 5.025040 27.37641 
1 1 1  -40    3   22 o   62.073   13.588   11.571   5.1644   8.1804   7.4857   14.650   7.1341   54.924   19.765   69.221   18.652 -14.29670 27.17670 
1 1 1  -40    3   23 o  114.620   8.9391   37.501   5.4587   31.493   7.8775   43.050   7.5711  105.193   13.858  124.048   11.295 -18.85557 17.87819 
1 1 1  -40    3   24 o   42.000   12.587   1.0772   5.0114   3.4009   7.1580  -1.1568   7.0185   45.489   18.521   38.510   17.049 6.978344 25.17348 
1 1 1  -40    3   25 o   40.617   12.494  -0.0329   5.1262   0.9903   7.4049  -0.9746   7.1035   42.314   18.131   38.920   17.195 3.394295 24.98807 
1 1 1  -40    3   26 o  112.052   9.4734   35.765   5.7278   35.286   8.2859   36.204   7.9267  111.160   13.794  112.943   12.988 -1.782776 18.94672 
1 1 1  -40    3   27 o   62.568   13.250   11.619   5.3898   3.9772   7.8858   18.318   7.3836   47.785   19.446   77.351   18.003 -29.56538 26.49993 
1 1 1  -40    3   28 o   46.059   13.542   2.6032   5.6084   5.0787   8.1517   0.3782   7.7283   49.930   19.964   42.189   18.302 7.741570 27.08383 
1 1 1  -40    3   29 o  194.119   6.7308  104.872   7.0574  104.320   10.108  105.397   9.8585  193.533   9.6652  194.706   9.3701 -1.172485 13.46156 
1 1 1  -40    3   30 o   39.985   12.436  -2.9944   5.5653   4.3548   8.0204  -9.8191   7.7288   48.152   19.605   31.818   15.305 16.33407 24.87183 
1 1 1  -40    3   31 o   78.140   15.992   18.934   6.8195   16.099   8.3168   24.752   11.914   70.894   20.529   85.387   24.526 -14.49253 31.98426 
1 1 1  -40    3   32 o   92.260   15.281   25.224   7.3258   17.849   8.9995   39.707   12.612   73.905   21.342  110.615   21.876 -36.70951 30.56196 
1 1 1  -40    3   33 o   73.275   15.907   14.923   7.0106   30.473   12.311   7.4605   8.5285   93.466   24.189   53.084   20.665 40.38168 31.81454 
1 1 1  -40    3   34 o   57.995   15.285   9.7030   7.2242  -2.0709   12.380   15.782   8.8959   47.492   21.684   68.497   21.549 -21.00532 30.57005 
1 1 1  -40    3   35 o   49.648   13.546   2.2746   6.3772 -11.6999   9.5415   13.557   8.5735   34.851   16.825   64.446   21.233 -29.59483 27.09104 
1 1 1  -40    3   36 o   82.283   16.999   23.753   7.8636   21.727   13.945   24.698   9.5220   77.573   27.064   86.993   20.578 -9.420753 33.99860 
1 1 1  -40    3   37 o   44.865   14.741  -6.6856   7.4661   4.3694   14.369 -10.7742   8.7383   56.247   24.667   33.482   16.148 22.76558 29.48222 
1 1 1  -40    3   38 o   52.598   15.415   7.0473   7.1903   8.8497   9.1115   4.0721   11.707   54.328   21.302   50.867   22.287 3.461052 30.82983 
1 1 1  -40    3   39 o   51.704   15.650   5.9111   7.3876   2.7532   9.0526   12.207   12.782   44.643   19.578   58.765   24.420 -14.12229 31.29953 
1 1 1  -40    3   40 o   49.379   14.377   5.7672   6.2676   3.1652   8.9590   8.2615   8.7714   45.882   19.805   52.876   20.847 -6.993103 28.75434 
1 1 1  -40    3   41 o   53.789   16.217   6.7327   8.7799   12.860   11.495  -1.8489   13.603   60.261   23.831   47.318   22.003 12.94391 32.43498 
1 1 1  -40    4    1 f   38.179   11.648  -0.8539   4.5643  -4.8388   6.6209   2.7547   6.3006   33.406   15.470   42.951   17.418 -9.544178 23.29618 
1 1 1  -40    4    2 o   76.954   11.837   17.603   4.7681   16.904   7.0606   18.188   6.4650   75.191   17.675   78.717   15.749 -3.525131 23.67373 
1 1 1  -40    4    3 o   43.735   12.444   2.8481   4.5708   4.8479   6.4793   0.8671   6.4489   47.260   18.115   40.211   17.066 7.049049 24.88807 
1 1 1  -40    4    4 o   93.673   10.113   24.987   4.8978   31.864   7.1945   19.046   6.6864  106.805   12.466   80.541   15.928 26.26471 20.22597 
1 1 1  -40    4    5 o  108.696   9.0908   33.939   5.1611   24.968   7.4539   42.201   7.1531   93.950   14.682  123.442   10.724 -29.49193 18.18154 
1 1 1  -40    4    6 o   89.175   10.574   23.003   4.9175   19.018   6.9564   26.984   6.9524   80.237   16.592   98.114   13.114 -17.87729 21.14863 
1 1 1  -40    4    7 o  133.425   7.3742   48.842   5.2889   53.143   7.9940   45.494   7.0533  138.531   10.679  128.320   10.172 10.21162 14.74833 
1 1 1  -40    4    8 o   80.972   11.771   19.402   4.9755   18.678   7.1580   20.079   6.9207   79.266   17.205   82.678   16.070 -3.412575 23.54267 
1 1 1  -40    4    9 o   58.582   13.128   9.1447   5.0036   15.233   7.3252   3.8192   6.8509   71.081   18.787   46.083   18.343 24.99850 26.25642 
1 1 1  -40    4   10 o   44.219   13.723  -0.9199   6.3224  -2.5248   8.9184   0.7016   8.9643   42.290   18.938   46.148   19.865 -3.857746 27.44588 
1 1 1  -40    4   11 o   68.245   15.698   13.901   6.6325   13.363   9.2016   14.484   9.5686   67.084   21.992   69.405   22.405 -2.321053 31.39527 
1 1 1  -40    4   12 o  107.278   12.263   33.761   6.8916   36.667   9.5206   30.563   9.9885  113.488   15.525  101.068   18.987 12.41974 24.52582 
1 1 1  -40    4   13 o   38.253   12.018  -2.2558   4.9951   0.7016   7.4814  -4.6346   6.7098   42.623   18.243   33.884   15.650 8.739132 24.03568 
1 1 1  -40    4   14 o   46.550   11.699   0.2376   5.1156 -14.9801   7.6765   12.394   6.8611   28.733   14.132   64.368   18.648 -35.63529 23.39807 
1 1 1  -40    4   15 o  203.867   9.0078  115.458   9.8417  124.009   15.100  109.144   12.976  210.042   13.304  197.691   12.147 12.35159 18.01552 
1 1 1  -40    4   16 o   88.772   16.685   24.294   8.0412   28.851   12.668   21.218   10.406   95.175   24.490   82.368   22.667 12.80669 33.37018 
1 1 1  -40    4   17 o   62.350   15.038   11.361   6.0446   12.749   7.5138   8.8153   10.176   65.087   19.687   59.613   22.738 5.474800 30.07581 
1 1 1  -40    4   18 o   44.949   13.047   2.7672   5.0994   1.4651   7.2853   4.0180   7.1401   43.074   18.202   46.824   18.698 -3.750019 26.09447 
1 1 1  -40    4   19 o  119.233   8.8188   40.239   5.6305   35.374   8.1327   44.717   7.8030  111.887   13.451  126.579   11.408 -14.69170 17.63759 
1 1 1  -40    4   20 o  144.600   7.5592   58.212   5.9025   56.624   8.4195   59.747   8.2770  142.565   10.929  146.635   10.446 -4.069641 15.11835 
1 1 1  -40    4   21 o  108.468   10.057   33.363   5.5162   47.245   8.3286   22.515   7.3625  129.812   11.873   87.123   16.236 42.68915 20.11427 
1 1 1  -40    4   22 o   83.353   12.594   20.749   5.5002   25.703   8.2337   16.757   7.3913   92.737   17.059   73.969   18.531 18.76728 25.18730 
1 1 1  -40    4   23 o  161.949   7.1230   72.625   6.2205   79.154   9.1066   66.914   8.5172  168.786   9.9847  155.112   10.162 13.67375 14.24609 
1 1 1  -40    4   24 o  148.150   7.5044   61.386   5.9929   58.933   8.6649   63.636   8.2974  145.106   11.051  151.193   10.156 -6.087051 15.00872 
1 1 1  -40    4   25 o  104.951   10.612   32.936   5.6230   23.615   8.0874   41.659   7.8233   88.279   17.572  121.622   11.904 -33.34233 21.22414 
1 1 1  -40    4   26 o  128.381   8.7431   46.345   5.9958   56.428   8.7918   37.577   8.1980  141.767   11.477  114.994   13.193 26.77279 17.48625 
1 1 1  -40    4   27 o  120.999   9.2933   41.974   6.0065   38.260   8.9171   45.058   8.1268  115.514   14.286  126.484   11.890 -10.96999 18.58658 
1 1 1  -40    4   28 o  142.793   8.0894   56.670   6.1888   68.101   9.2875   47.540   8.3001  155.786   11.033  129.800   11.834 25.98656 16.17889 
1 1 1  -40    4   29 o   48.025   13.816   4.0535   5.7094   1.5520   8.1743   6.4363   7.9778   44.475   19.053   51.575   20.012 -7.100227 27.63148 
1 1 1  -40    4   30 o   60.334   15.741   9.6347   6.3627   7.4564   7.6432   14.552   11.483   52.869   19.809   67.798   24.470 -14.92925 31.48289 
1 1 1  -40    4   31 o   85.902   15.473   24.783   7.1205   26.826   8.8903   21.126   11.892   93.045   18.334   78.759   24.931 14.28621 30.94666 
1 1 1  -40    4   32 o   51.618   15.016   1.7504   6.5700   13.730   11.814  -3.6127   7.9050   65.799   24.633   37.437   17.180 28.36206 30.03208 
1 1 1  -40    4   33 f   48.168   14.680  -2.8228   6.9322   12.556   12.169 -10.2112   8.4346   63.314   24.675   33.022   15.910 30.29211 29.35934 
1 1 1  -40    4   34 o   53.538   15.062   7.3153   6.5577   5.8880   9.5107   8.6089   9.0542   51.732   21.238   55.343   21.362 -3.610989 30.12345 
1 1 1  -40    4   35 o   52.207   14.593   5.8895   6.3201   11.031   9.1563   1.2107   8.7345   59.866   21.813   44.548   19.391 15.31836 29.18599 
1 1 1  -40    4   36 o   90.961   13.867   26.445   6.8393   36.148   9.8716   17.488   9.4844  109.638   16.662   72.284   22.171 37.35408 27.73401 
1 1 1  -40    4   37 o   45.116   14.735  -2.5545   7.6283  -5.0068   14.743  -1.6579   8.9144   48.863   22.783   41.369   18.694 7.493809 29.47076 
1 1 1  -40    4   38 o   58.433   16.471   7.2799   7.5593   23.536   13.883   0.4293   9.0125   74.451   26.900   42.415   19.013 32.03551 32.94113 
1 1 1  -40    4   39 o   54.558   15.131   8.0191   7.7974   16.908   9.6459  -8.7410   13.245   67.004   22.535   42.112   20.199 24.89159 30.26229 
1 1 1  -40    4   40 o   42.164   19.237  -1.5116   9.7219  -1.5116   9.7219   0.0000   0.0000   42.164   19.237  ?   ?       ?      ? 
1 1 1  -40    4   41 o   53.560   16.460   6.6388   8.9196   1.8331   12.004   12.563   13.328   47.685   21.608   59.435   24.837 -11.75038 32.92064 
1 1 1  -40    5    1 o   60.464   13.132   10.756   4.6937   10.914   6.9253   10.622   6.3836   60.906   18.989   60.021   18.144 0.8849564 26.26340 
1 1 1  -40    5    2 o   74.764   11.133   17.634   4.8596   4.1345   7.1618   29.153   6.6156   47.270   18.773  102.259   11.972 -54.98927 22.26603 
1 1 1  -40    5    3 o  143.844   7.0811   56.780   5.4824   61.329   8.2103   53.119   7.3651  148.951   10.201  138.736   9.8242 10.21489 14.16222 
1 1 1  -40    5    4 o   75.836   12.277   17.381   4.9201   14.990   7.3557   19.317   6.6187   70.482   18.918   81.190   15.654 -10.70768 24.55435 
1 1 1  -40    5    5 o   53.265   13.200   7.5958   4.6538   7.9173   7.1627   7.3609   6.1221   54.498   19.363   52.031   17.945 2.467823 26.39985 
1 1 1  -40    5    6 f   45.865   12.361   2.9097   4.8290  -4.3078   7.1506   8.9612   6.5476   35.578   16.331   56.153   18.559 -20.57462 24.72114 
1 1 1  -40    5    7 o   99.631   9.4196   27.648   5.0254   29.551   7.7342   26.257   6.6111  102.383   13.980   96.879   12.629 5.504822 18.83929 
1 1 1  -40    5    8 o   34.888   11.517  -6.1022   5.3130  -4.8013   6.9510  -7.9302   8.2398   34.457   15.919   35.320   16.647 -0.8631477 23.03350 
1 1 1  -40    5    9 o   70.098   15.127   14.805   6.3558   18.151   9.0008   11.477   8.9763   76.904   21.047   63.291   21.734 13.61347 30.25461 
1 1 1  -40    5   10 o   70.912   14.417   14.494   6.7777   2.6149   9.8274   25.270   9.3599   50.380   21.207   91.444   19.535 -41.06400 28.83315 
1 1 1  -40    5   11 o   68.750   16.191   13.053   7.2238   20.086   11.027   7.7658   9.5614   80.139   23.761   57.361   22.002 22.77739 32.38294 
1 1 1  -40    5   12 o  133.148   8.1812   48.679   5.8165   60.480   8.7428   39.308   7.7908  147.633   10.959  118.663   12.150 28.97005 16.36242 
1 1 1  -40    5   13 o   33.269   11.008  -6.8951   5.0498 -11.1410   7.3357  -3.0707   6.9621   30.178   14.613   36.359   16.467 -6.181637 22.01602 
1 1 1  -40    5   14 o   49.793   13.585   5.1171   5.1863   7.4909   7.7979   3.2341   6.9451   54.386   20.081   45.200   18.302 9.186108 27.16979 
1 1 1  -40    5   15 o   52.302   15.886   2.0013   7.9346   0.2615   12.889   3.0631   10.069   53.327   23.374   51.278   21.519 2.048798 31.77151 
1 1 1  -40    5   16 o  166.742   10.758   80.958   9.3863   70.991   14.632   87.928   12.236  156.546   17.297  176.939   12.797 -20.39233 21.51646 
1 1 1  -40    5   17 o  109.705   11.801   32.067   6.5085   22.132   8.0343   51.036   11.101   85.829   17.903  133.581   15.379 -47.75220 23.60127 
1 1 1  -40    5   18 o   96.709   10.232   26.530   5.3350   29.132   7.7670   24.206   7.3408  101.277   14.192   92.141   14.744 9.136612 20.46441 
1 1 1  -40    5   19 o   81.428   12.325   19.859   5.2631   22.907   7.6644   17.139   7.2402   87.712   16.782   75.144   18.056 12.56899 24.65039 
1 1 1  -40    5   20 o   79.751   12.688   19.247   5.3502   22.243   7.7039   16.456   7.4358   86.170   17.148   73.332   18.705 12.83868 25.37618 
1 1 1  -40    5   21 o   53.064   13.364   6.1278   5.2158   12.988   7.7984   0.5750   7.0160   65.213   20.121   40.915   17.593 24.29743 26.72751 
1 1 1  -40    5   22 o   54.128   13.505   7.4362   5.3405   1.5499   7.8447   12.520   7.2907   44.216   18.796   64.040   19.397 -19.82333 27.01008 
1 1 1  -40    5   23 o   63.256   13.630   12.119   5.3532   7.0972   7.7623   16.673   7.3922   52.946   19.938   73.566   18.588 -20.62037 27.25904 
1 1 1  -40    5   24 o  106.634   10.288   33.602   5.6001   25.324   8.0211   41.474   7.8220   91.921   16.766  121.347   11.929 -29.42581 20.57696 
1 1 1  -40    5   25 o   50.565   12.775   3.1643   5.3960   14.120   7.8263  -6.7626   7.4497   67.426   20.024   33.705   15.868 33.72117 25.54914 
1 1 1  -40    5   26 o   58.347   12.601   7.3672   5.6903  -5.9874   8.1922   19.817   7.9099   36.470   16.997   80.224   18.607 -43.75427 25.20187 
1 1 1  -40    5   27 o   72.770   14.492   16.589   5.9516   18.920   8.7236   14.560   8.1402   77.356   20.529   68.183   20.461 9.173424 28.98442 
1 1 1  -40    5   28 o  195.935   6.9027  106.977   7.2986  108.059   10.621  106.009   10.047  196.730   9.9905  195.141   9.5279 1.589478 13.80547 
1 1 1  -40    5   29 o   78.096   14.453   19.534   6.1687   19.022   8.6088   20.073   8.8436   77.076   20.364   79.116   20.514 -2.039413 28.90576 
1 1 1  -40    5   30 o   49.289   14.953   2.4290   6.7853   1.4160   8.3307   4.4257   11.695   44.526   19.159   54.053   22.963 -9.527279 29.90596 
1 1 1  -40    5   31 o   77.115   15.700   17.891   6.7432   27.545   11.550   12.898   8.3058   90.450   23.439   63.781   20.894 26.66859 31.39972 
1 1 1  -40    5   32 o   35.347   11.988 -10.6828   6.6961 -21.0788   11.358  -5.1441   8.2901   33.939   16.786   36.755   17.120 -2.816547 23.97603 
1 1 1  -40    5   33 o   56.425   14.973   8.0447   6.5634   15.480   9.6994   1.7645   8.9143   67.575   22.598   45.275   19.649 22.29937 29.94534 
1 1 1  -40    5   34 f   54.483   15.237   7.6345   6.6463   9.1800   9.7143   6.2743   9.1130   57.027   22.095   51.939   20.988 5.088394 30.47441 
1 1 1  -40    5   35 f   31.039   15.265 -15.8401   8.9504 -15.8401   8.9504   0.0000   0.0000   31.039   15.265  ?   ?       ?      ? 
1 1 1  -40    5   36 o   50.316   14.590   3.5074   6.5888   10.737   9.9510  -2.1364   8.7921   59.751   22.558   40.880   18.511 18.87071 29.18088 
1 1 1  -40    5   37 o   36.842   12.384  -7.7562   6.7027  -7.9496   9.7996  -7.5861   9.1881   37.381   17.776   36.302   17.248 1.078873 24.76849 
1 1 1  -40    5   38 o   51.564   15.992   5.8481   7.9717   7.6126   14.664   5.1079   9.4976   55.056   24.496   48.073   20.564 6.982986 31.98336 
1 1 1  -40    5   39 o   85.533   18.123   26.426   8.3121   36.374   15.918   22.696   9.7465   91.789   28.817   79.278   21.984 12.51058 36.24509 
1 1 1  -40    5   40 o   69.105   26.226   19.047   13.494   19.047   13.494   0.0000   0.0000   69.105   26.226  ?   ?       ?      ? 
1 1 1  -40    5   41 o   48.969   15.781  -4.3470   9.8372 -20.2725   13.197   15.568   14.757   36.009   17.860   61.929   26.023 -25.91986 31.56276 
1 1 1  -40    6    1 o   70.007   12.916   14.678   4.8916   15.131   7.5645   14.352   6.4129   70.703   19.272   69.312   17.203 1.390915 25.83296 
1 1 1  -40    6    2 o   51.938   13.203   6.6577   4.7070   9.1931   7.2814   4.8375   6.1694   57.277   19.577   46.599   17.721 10.67824 26.40649 
1 1 1  -40    6    3 o   40.366   11.978   0.9999   4.5245  -2.0323   6.7813   3.4326   6.0740   37.092   16.569   43.639   17.302 -6.547504 23.95639 
1 1 1  -40    6    4 o   39.876   12.131   0.1500   4.6751   1.2659   7.1828  -0.6701   6.1580   42.687   18.058   37.065   16.204 5.622028 24.26232 
1 1 1  -40    6    5 o   65.879   13.032   12.505   4.9028   17.439   7.4663   8.7656   6.5008   76.115   18.364   55.643   18.497 20.47167 26.06497 
1 1 1  -40    6    6 o   87.425   11.082   21.724   5.0204   30.470   7.6127   14.992   6.6785  104.083   13.535   70.767   17.550 33.31643 22.16362 
1 1 1  -40    6    7 o   54.928   14.037   6.9345   5.5195   2.8791   7.3503   12.178   8.3579   45.565   18.684   64.291   20.954 -18.72682 28.07470 
1 1 1  -40    6    8 o   66.961   15.234   13.413   6.3378   10.795   9.3522   15.637   8.6188   62.299   22.127   71.622   20.945 -9.323509 30.46760 
1 1 1  -40    6    9 o   70.605   15.297   15.154   6.3861   15.529   9.1438   14.797   8.9230   71.364   21.747   69.846   21.518 1.517952 30.59315 
1 1 1  -40    6   10 o  131.767   9.1498   47.842   6.1970   51.486   10.689   45.997   7.6058  134.791   14.675  128.744   10.933 6.046921 18.29951 
1 1 1  -40    6   11 o   79.470   12.679   18.405   5.2777   23.129   8.2433   15.124   6.8704   88.002   17.943   70.937   17.918 17.06564 25.35770 
1 1 1  -40    6   12 o  107.331   9.4686   32.483   5.3705   32.060   8.4865   32.766   6.9360  106.281   14.777  108.382   11.843 -2.100906 18.93718 
1 1 1  -40    6   13 o   66.420   12.472   13.044   5.0378   5.1019   7.1736   20.772   7.0765   48.909   18.977   83.931   16.190 -35.02267 24.94454 
1 1 1  -40    6   14 o  137.374   7.6334   52.659   5.6312   49.659   8.2836   55.236   7.6782  133.473   11.485  141.275   10.058 -7.801773 15.26670 
1 1 1  -40    6   15 o   74.302   17.897   17.091   8.4593   15.221   14.413   18.074   10.448   72.624   27.204   75.980   23.264 -3.355461 35.79483 
1 1 1  -40    6   16 o   58.476   16.752   6.8609   8.2114   3.4459   13.359   8.9347   10.410   57.069   24.400   59.882   22.960 -2.813118 33.50444 
1 1 1  -40    6   17 o  103.654   12.664   32.402   6.6425   34.297   8.4799   29.392   10.686  109.817   14.290   97.491   20.911 12.32632 25.32747 
1 1 1  -40    6   18 o   52.906   13.091   5.6007   5.1594   13.817   7.7321  -0.9939   6.9272   67.199   19.891   38.612   17.024 28.58746 26.18124 
1 1 1  -40    6   19 o   61.319   13.854   11.276   5.1998   10.150   7.6955   12.222   7.0535   59.140   20.127   63.497   19.045 -4.356506 27.70884 
1 1 1  -40    6   20 o   88.430   11.909   24.112   5.4481   15.752   7.9482   31.522   7.4824   71.329   19.879  105.531   13.121 -34.20157 23.81851 
1 1 1  -40    6   21 o   44.343   13.180   2.0435   5.3661   1.0764   7.7816   2.9204   7.4098   43.411   18.593   45.274   18.685 -1.863400 26.35984 
1 1 1  -40    6   22 o   39.022   12.361  -2.0542   5.3566  -1.0884   7.9405  -2.8607   7.2564   40.955   18.133   37.088   16.803 3.867352 24.72153 
1 1 1  -40    6   23 o   54.308   13.654   7.0685   5.3656   13.125   7.9139   1.9161   7.2996   65.221   20.293   43.394   18.272 21.82704 27.30731 
1 1 1  -40    6   24 o   60.177   13.983   10.547   5.3429   13.982   7.8576   7.5934   7.2867   67.113   20.094   53.240   19.450 13.87265 27.96568 
1 1 1  -40    6   25 o   57.829   13.246   9.0311   5.3813   1.1657   7.8251   16.088   7.4121   43.530   18.645   72.127   18.819 -28.59700 26.49127 
1 1 1  -40    6   26 o   66.319   14.196   13.053   5.6827   18.868   8.5641   8.4782   7.5960   77.404   20.245   55.235   19.907 22.16927 28.39238 
1 1 1  -40    6   27 o  137.775   8.4533   53.301   6.2621   57.795   9.4482   49.780   8.3627  142.761   12.248  132.789   11.655 9.972290 16.90661 
1 1 1  -40    6   28 o   97.437   11.973   28.933   5.9582   40.306   8.6253   18.552   8.2402  118.458   13.475   76.416   19.796 42.04169 23.94699 
1 1 1  -40    6   29 o   61.157   16.118   10.457   6.8925   8.9515   8.5734   13.207   11.589   56.579   21.023   65.736   24.439 -9.157413 32.23693 
1 1 1  -40    6   30 o   36.657   12.041  -5.8575   5.8066  -2.0787   8.3166  -9.4516   8.1109   40.243   18.133   33.071   15.847 7.172543 24.08187 
1 1 1  -40    6   31 o  115.056   12.692   40.648   7.2260   41.194   12.406   40.368   8.8898  112.521   21.180  117.591   13.990 -5.070938 25.38374 
1 1 1  -40    6   32 o   73.225   14.836   18.046   6.3378   13.526   9.0611   22.376   8.8679   63.987   21.839   82.462   20.087 -18.47416 29.67228 
1 1 1  -40    6   33 o   65.560   14.713   12.370   6.6466   23.789   9.8431   2.7992   9.0114   84.225   21.542   46.894   20.045 37.33100 29.42507 
1 1 1  -40    6   34 o   35.557   12.049 -10.1169   6.5894  -8.8561   9.7468 -11.1782   8.9425   37.326   17.743   33.788   16.306 3.537926 24.09787 
1 1 1  -40    6   35 o  102.380   13.237   32.613   7.1266   38.399   10.366   27.428   9.8133  112.730   17.018   92.031   20.280 20.69985 26.47419 
1 1 1  -40    6   36 o   74.541   15.420   18.747   6.5711   21.711   10.006   16.499   8.7135   79.227   22.383   69.855   21.216 9.372299 30.84027 
1 1 1  -40    6   37 o   45.296   13.841   2.5948   6.3983  -2.0197   9.1884   6.9388   8.9150   40.229   18.484   50.362   20.606 -10.13294 27.68124 
1 1 1  -40    6   38 o   37.006   12.258  -8.9226   6.7096 -22.2908   9.9008   2.4310   9.1242   29.370   14.707   44.642   19.615 -15.27167 24.51620 
1 1 1  -40    6   39 o   67.853   17.215   15.683   10.341  -9.6036   17.106   30.248   12.982   47.735   22.911   87.970   25.700 -40.23511 34.42987 
1 1 1  -40    6   40 o   49.938   15.778   0.0275   9.6256   12.849   12.958 -15.7568   14.377   59.754   24.689   40.122   19.653 19.63219 31.55631 
1 1 1  -40    6   41 o   36.753   18.128 -16.9932   12.934 -16.9932   12.934   0.0000   0.0000   36.753   18.128  ?   ?       ?      ? 
1 1 1  -40    7    1 o   53.701   12.828   6.5751   4.7519   13.437   7.2990   1.5268   6.2605   66.731   19.206   40.671   17.011 26.05950 25.65635 
1 1 1  -40    7    2 o   57.703   13.066   9.7883   4.7711   5.9359   7.5393   12.362   6.1619   51.097   19.552   64.309   17.337 -13.21281 26.13146 
1 1 1  -40    7    3 o   80.055   11.835   18.914   4.9063   19.673   7.5687   18.364   6.4433   81.061   17.769   79.048   15.638 2.012672 23.67070 
1 1 1  -40    7    4 o   49.469   12.044   2.0894   4.6937   14.164   7.4799  -5.7530   6.0282   68.433   19.360   30.504   14.334 37.92858 24.08847 
1 1 1  -40    7    5 o  112.864   9.6147   35.596   5.8312   33.322   7.7656   38.536   8.8298  108.897   13.197  116.831   13.986 -7.933250 19.22947 
1 1 1  -40    7    6 o   61.532   15.096   10.564   6.1309   12.653   9.1009   8.8288   8.2957   65.531   21.890   57.532   20.793 7.999168 30.19106 
1 1 1  -40    7    7 o  199.833   7.6500  110.869   8.2514  109.302   11.901  112.320   11.451  198.331   11.105  201.334   10.525 -3.002884 15.29994 
1 1 1  -40    7    8 o   91.732   13.976   25.387   6.7383   30.923   9.8888   20.588   9.2065  101.684   18.686   81.779   20.789 19.90491 27.95205 
1 1 1  -40    7    9 o  146.736   7.2824   58.828   5.7051   64.627   8.9256   54.822   7.4183  152.582   10.825  140.889   9.7441 11.69260 14.56488 
1 1 1  -40    7   10 o  121.215   8.4348   40.504   5.4689   44.722   8.4917   37.515   7.1489  126.365   12.436  116.064   11.399 10.30164 16.86962 
1 1 1  -40    7   11 f   67.836   13.433   14.259   5.2275   10.406   8.1079   17.000   6.8388   60.310   20.658   75.361   17.176 -15.05184 26.86593 
1 1 1  -40    7   12 o  167.027   6.7891   76.487   6.0530   80.739   9.4185   73.496   7.9007  170.710   10.210  163.343   8.9511 7.367386 13.57829 
1 1 1  -40    7   13 o   42.177   12.633   0.6955   4.9881   3.7637   7.6378  -1.5864   6.5867   47.395   19.192   36.959   16.432 10.43599 25.26556 
1 1 1  -40    7   14 o  149.043   7.4713   61.701   5.9870   61.799   8.9221   61.621   8.0749  148.944   11.085  149.141   10.020 -0.1973267 14.94256 
1 1 1  -40    7   15 o   68.471   17.460   13.756   8.6279   5.9054   14.314   18.236   10.813   60.926   25.617   76.016   23.732 -15.08934 34.92067 
1 1 1  -40    7   16 o   63.610   16.324   2.8701   8.1875   25.788   14.038  -8.9459   10.080   88.158   26.961   39.062   18.411 49.09672 32.64762 
1 1 1  -40    7   17 o   36.157   11.938  -8.0819   6.0795  -1.5756   7.6301 -19.3941   10.061   39.748   17.678   32.565   16.048 7.183449 23.87576 
1 1 1  -40    7   18 o   61.048   13.869   10.891   5.2059   13.606   7.8088   8.7189   6.9845   66.598   20.053   55.498   19.165 11.09970 27.73844 
1 1 1  -40    7   19 o   65.554   13.627   13.138   5.3725   8.3954   7.7730   17.477   7.4342   55.553   20.120   75.555   18.384 -20.00216 27.25366 
1 1 1  -40    7   20 o   59.634   13.763   10.405   5.4824   4.5145   8.2505   15.062   7.3363   49.385   19.965   69.882   18.950 -20.49653 27.52646 
1 1 1  -40    7   21 o   54.447   13.968   6.8846   5.5062   12.864   8.4210   2.4187   7.2775   64.767   21.030   44.126   18.389 20.64056 27.93562 
1 1 1  -40    7   22 o   48.839   13.283   3.3722   5.4260   10.877   7.9802  -3.0804   7.3996   60.470   20.496   37.208   16.901 23.26117 26.56570 
1 1 1  -40    7   23 o   42.091   12.657  -1.7052   5.4860   6.3661   8.0311  -8.7662   7.5117   51.974   20.103   32.209   15.385 19.76528 25.31455 
1 1 1  -40    7   24 o   33.337   11.081 -10.7465   5.4184  -0.5452   7.7996 -20.2622   7.5330   41.232   18.126   25.441   12.753 15.79079 22.16236 
1 1 1  -40    7   25 o   37.904   12.199  -3.9840   5.5600  -0.4072   8.0150  -7.3016   7.7193   41.851   18.386   33.957   16.037 7.893810 24.39790 
1 1 1  -40    7   26 o   35.386   11.708  -6.1269   5.5888  -7.0276   8.0571  -5.2917   7.7590   35.012   16.489   35.760   16.625 -0.7473030 23.41540 
1 1 1  -40    7   27 o   37.666   12.015  -7.5454   5.7444   3.7921   8.2826 -18.0529   7.9737   47.775   19.739   27.557   13.704 20.21750 24.02986 
1 1 1  -40    7   28 o   86.601   15.595   24.907   7.2260   26.346   9.1257   22.489   11.831   91.840   19.015   81.362   24.724 10.47856 31.19056 
1 1 1  -40    7   29 o   41.513   13.166  -1.7678   6.1277  -0.3263   8.8275  -3.1084   8.5129   43.375   19.166   39.651   18.056 3.724541 26.33138 
1 1 1  -40    7   30 o  131.126   10.621   49.218   7.1781   55.788   12.405   45.910   8.8013  136.078   16.870  126.173   12.909 9.905663 21.24248 
1 1 1  -40    7   31 o   61.875   15.118   12.457   6.2406   9.7943   9.4178   14.541   8.3325   57.506   21.889   66.243   20.858 -8.736938 30.23506 
1 1 1  -40    7   32 o   98.117   12.965   31.662   6.5053   21.018   9.6706   40.460   8.7918   78.711   21.924  117.524   13.844 -38.81235 25.92906 
1 1 1  -40    7   33 o   41.590   13.243  -2.6171   6.4996  -8.8803   9.8366   2.2365   8.6592   37.493   17.823   45.688   19.592 -8.195160 26.48635 
1 1 1  -40    7   34 o  107.297   12.590   35.374   7.1093   35.809   10.573   35.015   9.6051  106.542   19.064  108.051   16.451 -1.508850 25.18081 
1 1 1  -40    7   35 o   63.746   14.418   11.556   6.8544  -1.3911   9.9342   23.320   9.4697   43.833   19.778   83.659   20.984 -39.82557 28.83569 
1 1 1  -40    7   36 o   72.208   15.788   19.030   6.8571   16.285   9.7529   21.713   9.6428   66.826   22.658   77.590   21.992 -10.76377 31.57612 
1 1 1  -40    7   37 o   66.241   14.898   15.983   6.7571   6.6935   9.8266   24.315   9.3066   50.418   21.213   82.064   20.923 -31.64680 29.79572 
1 1 1  -40    7   38 o   72.602   15.444   18.457   7.1126   9.7384   9.7931   28.191   10.347   55.845   22.024   89.359   21.655 -33.51438 30.88719 
1 1 1  -40    7   39 o   51.030   15.707  -3.9578   9.5259 -24.9550   13.340   17.890   13.607   35.073   17.487   66.987   26.096 -31.91345 31.41333 
1 1 1  -40    7   40 o   35.746   17.666 -17.9077   12.494   0.0000   0.0000 -17.9077   12.494  ?   ?    35.746   17.666      ?      ? 
1 1 1  -40    8    1 o   47.707   12.996   4.9415   4.7922   2.4018   7.5321   6.6687   6.2115   45.038   18.733   50.376   18.018 -5.337524 25.99190 
1 1 1  -40    8    2 o   48.633   13.142   4.5759   4.8039   8.5422   7.6744   2.0205   6.1601   56.105   20.032   41.162   17.016 14.94289 26.28337 
1 1 1  -40    8    3 o   42.416   13.080  -0.3959   5.6609   1.0607   8.0930  -1.7914   7.9213   44.426   18.993   40.405   17.988 4.021915 26.15962 
1 1 1  -40    8    4 o  138.689   9.1898   53.575   6.8501   59.572   10.361   48.919   9.1301  145.435   13.184  131.943   12.806 13.49173 18.37969 
1 1 1  -40    8    5 o   55.986   13.169   2.8708   6.2891   19.171   9.0181 -12.5631   8.7752   78.718   20.864   33.254   16.073 45.46456 26.33747 
1 1 1  -40    8    6 o   48.907   14.199   3.3544   6.0717   1.0653   8.5548   5.6779   8.6191   45.490   19.490   52.325   20.654 -6.835125 28.39760 
1 1 1  -40    8    7 o   66.654   14.107   12.317   5.2941   18.108   9.1434   9.3962   6.4932   76.398   21.331   56.911   18.466 19.48731 28.21362 
1 1 1  -40    8    8 o   96.221   10.062   25.880   5.1630   28.625   8.1180   24.016   6.6905  100.188   14.995   92.253   13.421 7.934990 20.12405 
1 1 1  -40    8    9 o  117.923   9.2452   39.913   5.7219   35.335   8.8948   43.145   7.4734  111.375   14.780  124.471   11.111 -13.09661 18.49043 
1 1 1  -40    8   10 o   66.830   13.674   13.163   5.1449   16.072   8.1904   11.267   6.6123   72.289   20.191   61.371   18.447 10.91769 27.34866 
1 1 1  -40    8   11 o  103.729   10.391   31.837   5.4618   26.677   8.4512   35.538   7.1572   94.730   17.141  112.728   11.750 -17.99754 20.78131 
1 1 1  -40    8   12 o   57.216   18.588   9.5524   6.5788   0.0000   0.0000   9.5524   6.5788  ?   ?    57.216   18.588      ?      ? 
1 1 1  -40    8   13 o  130.665   8.0533   47.333   5.6480   50.722   8.6002   44.763   7.4894  134.579   11.826  126.752   10.935 7.826881 16.10669 
1 1 1  -40    8   14 o   38.397   12.234  -2.5891   5.2645  -1.8000   8.2145  -3.1391   6.8581   41.009   18.283   35.785   16.261 5.223751 24.46829 
1 1 1  -40    8   15 o   61.544   16.793   9.4963   8.1796   1.9725   13.806   13.565   10.153   55.964   24.370   67.124   23.112 -11.16040 33.58621 
1 1 1  -40    8   16 o   87.049   17.572   22.482   8.4766   34.617   14.539   16.232   10.433  102.126   26.213   71.972   23.410 30.15408 35.14455 
1 1 1  -40    8   17 o  122.954   8.7732   42.570   5.8104   43.048   8.5816   42.166   7.8954  123.398   12.870  122.510   11.927 0.8873291 17.54639 
1 1 1  -40    8   18 o   48.963   13.098   4.0896   5.4568  -4.8001   8.3568   10.698   7.2050   38.077   17.544   59.849   19.453 -21.77213 26.19545 
1 1 1  -40    8   19 o   54.332   14.182   7.8318   5.5442   5.7679   8.5275   9.3430   7.2969   51.779   20.510   56.885   19.592 -5.105320 28.36422 
1 1 1  -40    8   20 o  103.656   10.564   30.938   5.8717   31.166   8.8657   30.759   7.8369  103.596   15.837  103.717   13.983 -0.1214676 21.12708 
1 1 1  -40    8   21 o   59.423   14.530   9.9251   5.7189   13.499   8.6348   7.1321   7.6331   66.066   21.279   52.779   19.792 13.28675 29.06071 
1 1 1  -40    8   22 o   67.687   13.866   12.856   5.7944   22.609   8.8793   5.6223   7.6471   85.282   19.669   50.092   19.549 35.18994 27.73197 
1 1 1  -40    8   23 o   50.350   14.126   4.1664   5.8912   9.6405   8.9220  -0.0654   7.8445   58.771   21.514   41.928   18.311 16.84287 28.25121 
1 1 1  -40    8   24 o   58.504   14.402   9.7831   5.9010   4.5063   8.9022   13.919   7.8812   50.245   20.578   66.762   20.155 -16.51740 28.80448 
1 1 1  -40    8   25 o   62.169   14.338   11.133   5.7803   17.317   8.6338   6.1094   7.7816   73.567   20.795   50.772   19.747 22.79561 28.67675 
1 1 1  -40    8   26 o   47.077   13.098   0.0005   5.7830   11.925   8.5345 -10.1217   7.8633   62.183   21.195   31.971   15.394 30.21128 26.19556 
1 1 1  -40    8   27 o   39.114   12.907  -6.4235   6.5689  -8.1577   8.5425  -3.9144   10.275   35.269   16.721   42.958   19.667 -7.688484 25.81390 
1 1 1  -40    8   28 o   62.501   15.882   10.372   6.9350   5.1414   8.8695   18.599   11.124   50.582   20.608   74.420   24.171 -23.83810 31.76345 
1 1 1  -40    8   29 o  101.014   13.453   27.584   6.9484   54.550   12.293   14.924   8.4230  134.476   16.917   67.551   20.922 66.92522 26.90588 
1 1 1  -40    8   30 o   87.371   15.002   25.978   6.9128   23.356   11.290   27.550   8.7431   81.292   24.029   93.450   17.967 -12.15817 30.00310 
1 1 1  -40    8   31 o   41.565   13.110  -1.5744   6.2184  -7.7055   9.5376   2.9589   8.2012   37.526   17.755   45.605   19.294 -8.078754 26.21992 
1 1 1  -40    8   32 o   33.469   11.464 -11.7974   6.3373 -12.9040   9.6574 -10.9605   8.3985   34.406   16.686   32.531   15.724 1.875328 22.92703 
1 1 1  -40    8   34 o   37.869   12.669  -7.9096   6.8220  -6.1489   10.151  -9.3597   9.2125   40.142   18.779   35.596   17.012 4.546013 25.33867 
1 1 1  -40    8   35 o   48.600   14.562   4.4507   6.7261   1.2862   9.9954   7.0695   9.0927   45.596   20.258   51.604   20.925 -6.008522 29.12491 
1 1 1  -40    8   36 o   58.246   14.823   10.220   6.7947   20.735   9.7974   0.4762   9.4315   73.741   22.519   42.750   19.282 30.99100 29.64627 
1 1 1  -40    8   37 o   34.732   11.918 -11.9510   6.9720  -8.7455   10.134 -14.8321   9.6072   37.110   17.764   32.355   15.893 4.754696 23.83598 
1 1 1  -40    8   38 o   48.953   15.613  -0.7671   9.2109 -11.0270   13.183   9.0180   12.875   41.252   19.880   56.654   24.081 -15.40225 31.22666 
1 1 1  -40    8   39 o   73.535   18.181   23.314   9.1114   28.086   12.788   18.394   12.985   81.105   25.872   65.965   25.549 15.14024 36.36134 
1 1 1  -40    9    1 o   92.600   12.422   25.596   6.0268   19.111   8.4064   32.455   8.6450   78.709   19.787  106.491   15.023 -27.78172 24.84375 
1 1 1  -40    9    2 o   79.219   14.228   18.903   6.4570   28.964   9.5371   10.387   8.7737   97.898   18.710   60.539   21.439 37.35842 28.45562 
1 1 1  -40    9    3 o   41.684   13.097  -2.2498   6.0723  -6.9347   9.0325   1.6135   8.2024   38.074   17.779   45.294   19.236 -7.220119 26.19418 
1 1 1  -40    9    4 o   57.335   14.378   8.0261   6.2001   0.0977   9.1676   14.709   8.4170   45.513   19.837   69.157   20.818 -23.64401 28.75603 
1 1 1  -40    9    5 o   46.884   13.682   3.2685   5.4236   1.6097   9.4712   4.0779   6.6158   48.002   20.535   45.767   18.086 2.234592 27.36360 
1 1 1  -40    9    6 o   49.341   13.136   5.0957   5.2058  -1.6100   8.2012   9.6210   6.7371   41.229   18.333   57.454   18.817 -16.22490 26.27121 
1 1 1  -40    9    7 f  162.366   6.9955   72.503   6.0024   75.622   9.6248   70.518   7.6785  164.813   10.807  159.920   8.8856 4.893112 13.99106 
1 1 1  -40    9    8 o   73.008   13.470   16.027   5.2947   18.199   8.3602   14.573   6.8416   76.752   19.967   69.265   18.084 7.487656 26.93957 
1 1 1  -40    9    9 o  109.489   9.6218   34.470   5.5097   31.648   8.7462   36.327   7.0944  104.996   15.416  113.981   11.518 -8.984695 19.24354 
1 1 1  -40    9   10 o  161.970   7.1918   69.934   6.1510   87.277   10.098   59.702   7.7561  177.138   10.550  146.802   9.7773 30.33530 14.38362 
1 1 1  -40    9   11 o   54.540   13.863   8.0222   5.3243   4.7492   8.3545   10.261   6.9090   50.147   20.154   58.932   19.040 -8.784874 27.72596 
1 1 1  -40    9   12 o   50.194   13.844   5.5087   5.3272   5.5427   8.5425   5.4871   6.8146   51.694   20.512   48.693   18.599 3.000488 27.68855 
1 1 1  -40    9   13 o   33.049   11.023  -7.0030   5.1350 -11.5214   8.2653  -4.1626   6.5531   32.417   15.652   33.680   15.524 -1.262733 22.04522 
1 1 1  -40    9   14 o   50.929   15.479  -2.9262   6.3065   13.403   14.406  -6.7972   7.0142   69.382   26.900   32.475   15.322 36.90708 30.95807 
1 1 1  -40    9   15 o   56.471   15.927   4.8772   8.4321 -13.7725   14.901   13.662   10.227   45.860   21.839   67.081   23.190 -21.22175 31.85473 
1 1 1  -40    9   16 o  114.799   16.116   42.185   9.2358   39.167   15.845   43.739   11.366  107.503   27.242  122.094   17.228 -14.59032 32.23262 
1 1 1  -40    9   17 o   60.145   14.544   10.176   5.7237   14.131   8.7272   7.1908   7.5822   67.427   21.359   52.863   19.745 14.56353 29.08719 
1 1 1  -40    9   18 o   46.038   13.469   2.7863   5.3513   4.8958   8.5898   1.4483   6.8410   50.465   20.382   41.610   17.614 8.855141 26.93828 
1 1 1  -40    9   19 o  134.845   8.3092   50.213   5.9960   58.609   9.2901   44.219   7.8500  144.250   11.918  125.439   11.581 18.81091 16.61834 
1 1 1  -40    9   20 o   40.584   12.668  -1.2709   5.4165   1.3834   8.2487  -3.2830   7.1818   44.777   19.160   36.391   16.576 8.386211 25.33525 
1 1 1  -40    9   21 o   79.857   13.088   20.486   5.8010   12.193   8.9018   26.608   7.6478   63.541   21.647   96.173   14.716 -32.63212 26.17535 
1 1 1  -40    9   22 o   95.383   12.005   27.014   5.9914   27.649   9.1533   26.538   7.9252   95.063   18.484   95.704   15.325 -0.6413651 24.01079 
1 1 1  -40    9   23 o   43.519   13.299   0.2334   5.9016  -4.1231   8.7350   3.8920   8.0049   39.430   18.082   47.608   19.508 -8.177299 26.59874 
1 1 1  -40    9   24 o   55.282   14.463   8.3858   5.8427   5.2767   8.9603   10.686   7.7065   51.152   20.762   59.413   20.141 -8.260712 28.92621 
1 1 1  -40    9   25 o  100.423   11.640   29.645   6.2849   31.813   9.4759   27.942   8.3979  103.412   16.957   97.433   15.950 5.979393 23.28027 
1 1 1  -40    9   26 o   64.778   15.608   13.108   6.9367   17.871   9.1707   6.7387   10.605   74.133   21.583   55.423   22.552 18.70962 31.21618 
1 1 1  -40    9   27 o   51.063   21.976   3.0225   10.965   0.0000   0.0000   3.0225   10.965  ?   ?    51.063   21.976      ?      ? 
1 1 1  -40    9   28 o   35.425   11.892 -10.4350   6.5683 -25.4505   11.066  -2.2664   8.1617   31.540   15.757   39.311   17.815 -7.770885 23.78316 
1 1 1  -40    9   29 o   94.293   23.451   30.856   11.899   30.856   11.899   0.0000   0.0000   94.293   23.451  ?   ?       ?      ? 
1 1 1  -40    9   30 o   56.608   15.286   8.8290   6.5581   12.562   9.7842   5.7834   8.8371   62.500   22.583   50.716   20.606 11.78451 30.57105 
1 1 1  -40    9   31 o   32.559   11.259 -16.0412   6.7747 -27.0585   10.823  -8.9439   8.6869   30.419   15.253   34.699   16.566 -4.279482 22.51873 
1 1 1  -40    9   33 o   34.356   16.763 -14.8715   10.165 -14.8715   10.165   0.0000   0.0000   34.356   16.763  ?   ?       ?      ? 
1 1 1  -40    9   34 o   60.406   15.171   11.892   6.8422   3.8465   10.215   18.441   9.2151   48.769   21.099   72.042   21.804 -23.27242 30.34109 
1 1 1  -40    9   35 o   83.852   15.369   25.530   6.9974   29.891   10.624   22.189   9.2993   90.088   22.011   77.616   21.456 12.47197 30.73837 
1 1 1  -40    9   36 o   88.891   14.758   26.987   6.9612   33.970   10.680   21.828   9.1789   99.357   20.569   78.425   21.168 20.93268 29.51554 
1 1 1  -40    9   37 o   80.115   18.671   25.694   9.4441   20.905   12.798   31.419   13.994   72.457   25.869   87.774   26.931 -15.31764 37.34278 
1 1 1  -40    9   38 o   52.243   15.894  -0.0150   9.5842   19.624   13.396 -20.6126   13.719   67.643   26.019   36.843   18.262 30.80025 31.78858 
1 1 1  -40   10    1 o   51.229   14.551   4.9326   6.1152   6.7973   9.3068   3.5158   8.1123   54.765   21.511   47.693   19.601 7.072353 29.10237 
1 1 1  -40   10    2 o   75.606   14.259   16.362   6.4207   28.671   9.8784   7.3581   8.4488   96.692   19.578   54.521   20.737 42.17121 28.51860 
1 1 1  -40   10    3 o   43.898   12.798  -0.6916   5.2015   8.2723   8.3561  -6.3622   6.6462   56.040   20.768   31.756   14.962 24.28390 25.59639 
1 1 1  -40   10    4 o   58.863   13.678   8.3655   5.3366   16.968   8.5135   2.7974   6.8493   73.794   20.576   43.932   18.028 29.86203 27.35691 
1 1 1  -40   10    5 o   59.446   13.888   10.314   5.4653   5.4187   8.2457   14.150   7.2989   50.965   20.175   67.927   19.092 -16.96191 27.77594 
1 1 1  -40   10    6 o   71.093   13.811   14.958   5.3328   18.675   8.8059   12.805   6.7014   77.312   20.677   64.875   18.315 12.43692 27.62141 
1 1 1  -40   10    7 f  116.360   9.2886   37.642   5.7302   41.804   9.2008   35.004   7.3239  121.139   14.056  111.580   12.147 9.558868 18.57713 
1 1 1  -40   10    8 o   60.753   14.055   11.109   5.3862   8.3688   8.4967   12.950   6.9644   56.360   20.931   65.147   18.763 -8.787449 28.10995 
1 1 1  -40   10    9 o   60.916   14.252   11.180   5.4971   8.4059   9.0008   12.830   6.9421   56.986   21.468   64.846   18.750 -7.860661 28.50306 
1 1 1  -40   10   10 o   66.195   13.277   13.990   5.4724   5.4452   8.7385   19.503   7.0192   51.748   20.678   80.641   16.659 -28.89250 26.55392 
1 1 1  -40   10   11 o   65.513   11.977   8.0195   5.4036   27.753   8.8870  -3.5553   6.8063   95.959   17.794   35.068   16.037 60.89075 23.95441 
1 1 1  -40   10   12 o   72.493   13.775   15.240   5.4379   21.714   8.9682   11.475   6.8385   83.452   20.122   61.533   18.818 21.91892 27.55001 
1 1 1  -40   10   13 o   62.707   14.048   11.636   5.2169   13.667   8.4961   10.406   6.6097   66.501   21.075   58.914   18.580 7.586334 28.09592 
1 1 1  -40   10   14 f   42.845   14.536 -14.4282   8.4790  -4.4234   15.435 -18.7523   10.147   52.726   24.126   32.964   16.220 19.76167 29.07128 
1 1 1  -40   10   15 o   63.808   16.683   10.259   8.8769  -6.9662   15.065   19.421   10.987   50.262   23.297   77.354   23.885 -27.09210 33.36538 
1 1 1  -40   10   16 o  104.961   13.229   30.593   7.0887   22.228   8.7578   46.486   12.071   84.573   19.554  125.349   17.822 -40.77606 26.45708 
1 1 1  -40   10   17 o   50.094   13.725   5.1341   5.6011   0.0339   8.3680   9.2738   7.5390   43.303   18.911   56.886   19.896 -13.58294 27.44997 
1 1 1  -40   10   18 o   71.096   14.317   16.048   5.8296   13.068   8.9571   18.239   7.6784   65.297   21.712   76.895   18.667 -11.59766 28.63371 
1 1 1  -40   10   19 o   46.421   13.545   3.0094   5.6151  -0.3612   8.5915   5.5226   7.4188   43.325   19.035   49.517   19.275 -6.192787 27.08954 
1 1 1  -40   10   20 o   73.712   14.090   16.774   5.7676   20.556   8.6388   13.733   7.7470   80.976   19.888   66.449   19.965 14.52620 28.18030 
1 1 1  -40   10   21 o   51.693   14.352   6.1564   5.8053   5.8804   9.0298   6.3508   7.5793   52.376   20.987   51.009   19.583 1.366627 28.70496 
1 1 1  -40   10   22 o   81.631   13.882   20.507   6.0209   25.595   9.3302   16.876   7.8817   90.206   19.694   73.057   19.571 17.14851 27.76449 
1 1 1  -40   10   23 o   84.699   13.777   23.103   6.1759   19.209   9.3827   26.079   8.2037   76.812   21.666   92.587   17.025 -15.77467 27.55457 
1 1 1  -40   10   24 o  119.594   10.387   42.595   6.4955   35.637   9.9280   47.802   8.5888  109.558   16.770  129.630   12.261 -20.07178 20.77436 
1 1 1  -40   10   25 o   53.422   14.844   6.2430   6.3520   10.727   9.5728   2.7153   8.4905   60.342   22.255   46.502   19.650 13.83986 29.68873 
1 1 1  -40   10   26 o   68.336   14.958   14.678   7.2686   25.013   9.6811   1.3241   11.004   87.646   20.761   49.026   21.541 38.62004 29.91694 
1 1 1  -40   10   27 o   43.485   13.984  -1.8928   6.8868  -2.2061   11.697  -1.7267   8.5201   46.379   21.137   40.591   18.316 5.787891 27.96849 
1 1 1  -40   10   28 o   85.269   15.880   24.482   7.1479   26.419   12.325   23.500   8.7742   85.556   25.054   84.982   19.518 0.5740128 31.75953 
1 1 1  -40   10   29 o   37.535   12.447  -6.5796   6.4462 -11.3475   9.9402  -3.1190   8.4684   35.980   17.320   39.089   17.880 -3.108822 24.89330 
1 1 1  -40   10   30 o   59.780   15.853   10.778   6.9229   9.0303   10.931   11.948   8.9458   58.067   23.151   61.493   21.662 -3.425907 31.70553 
1 1 1  -40   10   32 o   60.006   21.896   11.334   9.2309   0.0000   0.0000   11.334   9.2309  ?   ?    60.006   21.896      ?      ? 
1 1 1  -40   10   33 o   36.216   12.072  -9.1049   6.6506 -22.7722   10.456   0.1827   8.6190   30.618   15.300   41.814   18.679 -11.19539 24.14498 
1 1 1  -40   10   34 o   72.661   15.580   20.471   6.9413   15.062   10.694   24.409   9.1247   62.698   23.443   82.625   20.528 -19.92736 31.16052 
1 1 1  -40   10   35 o   42.482   13.637  -1.0633   6.7641   1.3551   10.128  -3.0104   9.0879   45.527   20.300   39.436   18.214 6.090794 27.27314 
1 1 1  -40   10   36 o   67.203   17.616   16.050   9.2692   5.6937   13.104   26.419   13.113   53.519   23.511   80.887   26.241 -27.36796 35.23286 
1 1 1  -40   10   37 o   55.266   17.052   8.8344   9.6133   10.851   13.783   6.9234   13.415   57.263   24.641   53.268   23.578 3.995255 34.10402 
1 1 1  -40   11    1 o   54.686   14.173   8.0451   5.3887   7.5201   8.7930   8.3608   6.8195   55.012   21.099   54.360   18.928 0.6517792 28.34542 
1 1 1  -40   11    2 o  148.611   7.7354   61.037   6.0535   65.063   9.8447   58.589   7.6761  151.997   11.986  145.225   9.7817 6.772141 15.47089 
1 1 1  -40   11    3 o  123.992   8.8842   42.527   5.8043   47.685   9.5085   39.464   7.3280  129.382   13.600  118.602   11.434 10.78016 17.76834 
1 1 1  -40   11    4 o   43.256   13.024  -0.8698   5.3457   6.4265   8.8759  -5.0229   6.6965   53.370   20.993   33.142   15.420 20.22767 26.04772 
1 1 1  -40   11    5 o  113.390   9.9719   37.812   5.8277   32.453   9.3383   41.230   7.4583  105.529   16.376  121.251   11.383 -15.72234 19.94372 
1 1 1  -40   11    6 o   70.147   13.861   15.804   5.5870   11.092   8.9714   18.790   7.1406   61.564   21.693   78.730   17.260 -17.16561 27.72156 
1 1 1  -40   11    7 o   60.259   13.754   10.927   5.4840   4.7275   8.5784   15.211   7.1315   50.233   20.340   70.285   18.518 -20.05146 27.50729 
1 1 1  -40   11    8 o   74.643   13.756   17.544   5.5807   15.650   8.7816   18.827   7.2280   70.579   21.268   78.708   17.452 -8.129051 27.51207 
1 1 1  -40   11    9 o   68.390   13.297   15.205   5.5565   6.3307   8.8695   20.938   7.1288   53.172   20.963   83.608   16.365 -30.43595 26.59445 
1 1 1  -40   11   10 o  108.193   9.9796   31.890   5.6881   41.777   9.3873   26.154   7.1502  120.683   14.395   95.704   13.826 24.97912 19.95921 
1 1 1  -40   11   11 o   59.841   14.227   10.741   5.5579   7.3341   8.7761   13.022   7.1816   54.645   21.049   65.037   19.147 -10.39174 28.45474 
1 1 1  -40   11   12 o  105.970   10.383   31.357   5.8149   36.896   9.4961   28.035   7.3552  112.836   15.574   99.105   13.734 13.73014 20.76532 
1 1 1  -40   11   13 o   46.410   13.709   2.8281   5.5874   2.8750   9.1767   2.8005   7.0436   48.637   20.484   44.183   18.224 4.454582 27.41737 
1 1 1  -40   11   14 f   79.922   18.056   21.956   9.5768   9.4527   16.219   28.649   11.866   65.926   27.461   93.917   23.453 -27.99158 36.11284 
1 1 1  -40   11   15 o   59.649   17.737   5.7495   9.2849   9.3941   15.805   3.8288   11.473   65.472   27.176   53.827   22.799 11.64497 35.47351 
1 1 1  -40   11   16 o   42.596   13.005  -0.6931   5.8221  -7.6479   8.8884   4.5333   7.7052   36.865   17.349   48.327   19.379 -11.46193 26.01039 
1 1 1  -40   11   17 o   51.399   14.199   6.0540   5.6770   5.3510   8.7783   6.5593   7.4430   51.405   20.660   51.393   19.483 0.1225281E-01 28.39758 
1 1 1  -40   11   18 o   43.513   12.763   1.0487   5.4292  -7.2735   8.5921   6.5801   7.0048   36.307   17.078   50.718   18.971 -14.41067 25.52554 
1 1 1  -40   11   19 o   50.742   14.095   5.8938   5.6526   4.2672   8.8052   7.0340   7.3723   49.549   20.400   51.936   19.456 -2.386356 28.18981 
1 1 1  -40   11   20 o   37.896   12.312  -4.7589   5.9164 -10.5368   9.2087  -0.6972   7.7208   35.251   16.890   40.541   17.918 -5.290234 24.62435 
1 1 1  -40   11   21 o   83.547   13.941   22.832   6.2197   17.714   9.6383   26.484   8.1417   73.607   22.304   93.486   16.731 -19.87905 27.88199 
1 1 1  -40   11   22 o   49.554   14.251   4.6844   6.0762   0.8688   9.7528   7.1051   7.7680   46.735   20.413   52.373   19.892 -5.637833 28.50254 
1 1 1  -40   11   23 o   58.980   13.980   9.3412   6.2431  -1.7701   9.4600   17.914   8.3095   43.192   19.412   74.768   20.123 -31.57563 27.95997 
1 1 1  -40   11   24 o   42.420   13.302  -0.6074   6.0962  -3.3712   9.3650   1.4250   8.0307   41.199   18.829   43.642   18.794 -2.443207 26.60380 
1 1 1  -40   11   25 o   53.116   15.569   5.7359   7.3138   3.6568   9.8818   8.2545   10.876   49.486   21.068   56.746   22.929 -7.260132 31.13817 
1 1 1  -40   11   26 o   65.154   15.827   13.548   6.7188   18.353   10.459   10.173   8.7670   72.623   23.423   57.685   21.293 14.93793 31.65473 
1 1 1  -40   11   27 o  108.670   14.301   40.543   7.3814   31.081   13.065   44.979   8.9462   93.059   25.311  124.280   13.321 -31.22083 28.60214 
1 1 1  -40   11   28 o   35.024   11.968 -11.9163   6.8283 -15.8931   10.755  -9.2309   8.8380   35.201   17.191   34.848   16.657 0.3533592 23.93679 
1 1 1  -40   11   29 o  158.418   9.1706   70.890   7.7617   84.085   12.122   61.721   10.105  170.492   13.158  146.344   12.778 24.14714 18.34126 
1 1 1  -40   11   30 o  104.816   13.389   34.178   7.2779   35.860   11.484   33.049   9.4086  104.885   20.995  104.747   16.622 0.1377029 26.77859 
1 1 1  -40   11   31 o   53.423   12.324  -0.7558   6.7293 -33.2990   10.650   20.873   8.6821   27.774   14.072   79.073   20.235 -51.29852 24.64757 
1 1 1  -40   11   32 o   55.561   15.479   10.023   6.8842   7.8044   10.738   11.571   8.9705   53.190   22.266   57.932   21.508 -4.741940 30.95756 
1 1 1  -40   11   33 o   32.427   11.266 -14.1463   6.8096 -15.7179   10.231 -12.8961   9.1246   32.867   16.194   31.986   15.666 0.8808537 22.53139 
1 1 1  -40   11   34 o   54.623   13.360   3.2763   6.9051 -18.7121   10.299   21.235   9.3072   32.004   15.856   77.241   21.506 -45.23732 26.71932 
1 1 1  -40   11   35 o   53.333   16.522   4.8328   9.3733   11.707   13.214  -2.1284   13.298   59.687   24.819   46.980   21.815 12.70767 33.04336 
1 1 1  -40   11   36 o   74.951   18.712   24.698   9.7307   31.644   13.960   18.133   13.571   84.576   27.037   65.325   25.875 19.25133 37.42338 
1 1 1  -40   12    1 o   85.444   13.122   22.244   5.7713   23.079   9.2583   21.713   7.3808   85.858   20.279   85.030   16.660 0.8280182 26.24457 
1 1 1  -40   12    2 o  149.517   7.9228   61.972   6.2687   66.019   10.051   59.395   8.0196  152.991   12.158  146.043   10.162 6.947815 15.84562 
1 1 1  -40   12    3 o  167.555   11.910   79.056   10.784   79.056   10.784   0.0000   0.0000  167.555   11.910  ?   ?       ?      ? 
1 1 1  -40   12    4 o   79.276   13.609   18.777   5.5747   22.389   9.4417   16.844   6.9071   84.229   20.855   74.323   17.490 9.906082 27.21781 
1 1 1  -40   12    5 o   84.299   12.909   22.481   5.6727   17.353   9.1909   25.637   7.2099   73.952   21.629   94.647   14.097 -20.69552 25.81779 
1 1 1  -40   12    6 o   75.785   13.566   16.943   5.5226   23.304   8.8760   12.925   7.0544   86.728   19.423   64.841   18.945 21.88698 27.13194 
1 1 1  -40   12    7 o   46.830   13.422   2.3410   5.2957   8.3014   8.6646  -1.2131   6.6908   56.177   21.083   37.482   16.618 18.69500 26.84441 
1 1 1  -40   12    8 o   43.657   12.739   0.8542   5.4687  -8.6422   8.7540   6.9325   7.0035   35.737   16.938   51.577   19.033 -15.84069 25.47824 
1 1 1  -40   12    9 o   52.663   14.102   6.1497   5.4398   10.438   8.8429   3.5391   6.8997   60.210   21.502   45.117   18.251 15.09249 28.20373 
1 1 1  -40   12   10 o   46.329   13.595   3.0725   5.4655   2.6256   8.9422   3.3389   6.9056   47.872   20.194   44.786   18.208 3.085438 27.19096 
1 1 1  -40   12   11 o   57.352   14.565   8.9787   5.6078   10.821   9.1444   7.8679   7.0995   61.123   21.862   53.581   19.252 7.542030 29.13033 
1 1 1  -40   12   12 o   78.593   12.997   20.555   5.8293   9.3345   9.3034   27.807   7.4795   58.613   21.875   98.572   14.042 -39.95977 25.99456 
1 1 1  -40   12   13 o   71.683   17.807   7.5538   7.0857   34.932   17.621   2.2725   7.7390   98.519   30.220   44.847   18.845 53.67201 35.61406 
1 1 1  -40   12   14 o   57.245   17.478   3.9318   9.7809  -2.1408   16.809   7.0405   12.027   56.203   25.507   58.287   23.901 -2.083981 34.95512 
1 1 1  -40   12   15 o   58.276   17.750   1.4705   9.6531   14.149   17.008  -4.5541   11.724   70.880   28.662   45.673   20.946 25.20692 35.49949 
1 1 1  -40   12   16 f  128.833   9.2961   47.926   6.3420   44.405   9.7559   50.503   8.3461  123.888   14.573  133.778   11.545 -9.889259 18.59217 
1 1 1  -40   12   17 o   87.096   13.179   22.845   5.9391   28.429   9.4394   19.186   7.6411   95.668   18.930   78.523   18.340 17.14427 26.35699 
1 1 1  -40   12   18 o  103.965   11.207   31.236   6.2374   35.894   9.6599   27.906   8.1685  110.310   16.206   97.621   15.485 12.68869 22.41466 
1 1 1  -40   12   19 o   99.023   12.261   30.470   6.1470   25.781   9.6822   33.637   7.9560   89.938   20.392  108.108   13.619 -18.16993 24.52200 
1 1 1  -40   12   20 o   39.214   12.579  -3.8813   6.0437 -11.9053   9.6983   1.2132   7.7277   35.483   17.087   42.946   18.465 -7.462257 25.15813 
1 1 1  -40   12   21 o   72.370   14.530   17.367   6.2435   11.051   9.5587   22.066   8.2454   60.850   22.269   83.889   18.670 -23.03943 29.06037 
1 1 1  -40   12   22 o  100.453   13.012   32.851   6.6160   23.001   10.085   40.293   8.7659   83.089   22.084  117.818   13.769 -34.72917 26.02462 
1 1 1  -40   12   23 o   93.655   14.006   28.024   6.7699   30.230   10.654   26.531   8.7678   95.712   21.161   91.598   18.354 4.113533 28.01163 
1 1 1  -40   12   24 o   57.482   16.226   8.9619   7.5478   7.5814   10.015   10.777   11.484   54.608   22.024   60.356   23.835 -5.748470 32.45269 
1 1 1  -40   12   25 o   53.211   15.742   5.8081   7.6077   7.0917   10.423   4.3446   11.130   54.476   22.284   51.946   22.242 2.530132 31.48466 
1 1 1  -40   12   26 o   95.366   15.792   28.861   7.5507   36.126   13.569   25.602   9.0878  101.462   24.928   89.271   19.394 12.19099 31.58324 
1 1 1  -40   12   27 o   93.567   13.976   32.471   7.3190   11.450   11.841   45.468   9.3105   62.197   24.312  124.937   13.791 -62.73988 27.95112 
1 1 1  -40   12   28 o   65.486   16.000   12.268   7.2141   22.003   11.223   5.4133   9.4175   79.666   24.052   51.305   21.107 28.36104 31.99961 
1 1 1  -40   12   29 o   33.154   11.547 -17.3213   7.0415 -13.2477   10.933 -20.2085   9.2046   36.920   17.868   29.387   14.632 7.532373 23.09482 
1 1 1  -40   12   30 o   73.102   16.249   19.267   7.0530   20.669   11.232   18.354   9.0626   74.156   24.297   72.049   21.582 2.106888 32.49811 
1 1 1  -40   12   31 o   80.105   16.220   24.627   7.3751   23.685   11.315   25.322   9.7244   76.947   24.315   83.263   21.474 -6.316513 32.43978 
1 1 1  -40   12   32 o   71.418   16.345   18.769   7.2069   24.102   11.061   14.835   9.5003   79.150   23.873   63.686   22.332 15.46440 32.68996 
1 1 1  -40   12   33 o   78.996   14.453   19.942   7.3364   39.389   11.197   5.3124   9.7114  108.329   19.859   49.664   21.003 58.66532 28.90510 
1 1 1  -40   12   34 o   76.979   16.233   21.267   9.3189   41.396   13.111   0.7173   13.247  105.359   23.614   48.599   22.279 56.76046 32.46521 
1 1 1  -40   12   35 o   45.724   14.901  -3.2840   8.8584 -13.9572   12.096   9.0608   13.009   36.878   18.056   54.570   23.709 -17.69175 29.80175 
1 1 1  -40   13    1 o   51.590   14.059   5.4261   5.4795   10.424   8.9725   2.4534   6.9197   59.971   21.632   43.210   17.963 16.76115 28.11788 
1 1 1  -40   13    2 o   73.428   13.870   16.452   5.4642   19.003   9.0082   14.968   6.8730   77.225   21.023   69.631   18.099 7.594032 27.74064 
1 1 1  -40   13    3 o  104.370   10.660   29.691   5.8192   39.662   9.8587   24.359   7.2090  116.774   15.624   91.966   14.506 24.80817 21.31980 
1 1 1  -40   13    4 o   66.116   14.568   13.657   5.6827   12.730   9.4032   14.190   7.1324   64.578   22.241   67.653   18.823 -3.074509 29.13700 
1 1 1  -40   13    5 o   44.524   13.483   1.2419   5.5700   3.1152   9.3021   0.1948   6.9546   49.054   20.640   39.993   17.356 9.061165 26.96678 
1 1 1  -40   13    6 o   86.706   13.190   23.489   5.8243   20.855   9.9435   24.865   7.1861   80.405   22.170   93.007   14.299 -12.60204 26.38077 
1 1 1  -40   13    7 o   66.193   14.483   12.433   5.7473   19.705   9.3427   8.0055   7.2898   78.476   21.429   53.910   19.490 24.56616 28.96658 
1 1 1  -40   13    8 o   49.679   14.044   5.1205   5.6431   4.0994   9.0202   5.7772   7.2334   49.836   20.596   49.522   19.100 0.3140144 28.08897 
1 1 1  -40   13    9 o   58.717   14.461   9.1505   5.5833   14.618   9.1321   5.8869   7.0557   68.023   21.881   49.410   18.913 18.61288 28.92150 
1 1 1  -40   13   10 o   57.022   14.439   7.2349   5.7916   15.931   9.5543   2.1831   7.2821   70.502   22.350   43.543   18.288 26.95888 28.87846 
1 1 1  -40   13   11 o   59.958   14.818   10.776   5.8969   9.2422   9.4204   11.765   7.5616   58.119   21.947   61.796   19.914 -3.676697 29.63500 
1 1 1  -40   13   12 o   52.503   14.402   4.4479   5.9101   12.988   9.8709  -0.3246   7.3790   64.808   22.761   40.198   17.652 24.60997 28.80337 
1 1 1  -40   13   13 o   69.239   19.274   9.3256   10.372   28.131   18.481   0.6786   12.532   86.939   31.080   51.538   22.801 35.40062 38.54725 
1 1 1  -40   13   14 o   58.661   18.003  -1.6725   9.9501   18.885   18.514 -10.0225   11.799   75.850   30.165   41.471   19.658 34.37918 36.00503 
1 1 1  -40   13   15 o   34.790   11.789 -10.3925   6.1484  -6.7058   9.6575 -12.9052   7.9730   39.184   18.326   30.396   14.835 8.787846 23.57777 
1 1 1  -40   13   16 o   58.414   14.953   10.020   6.1447   6.7577   9.9982   12.000   7.7894   54.703   22.026   62.126   20.228 -7.422134 29.90534 
1 1 1  -40   13   17 o  122.006   10.502   44.111   6.6875   39.741   10.566   47.032   8.6378  115.555   16.921  128.457   12.444 -12.90182 21.00446 
1 1 1  -40   13   18 o   69.787   14.853   16.065   6.1969   11.991   9.7869   18.791   8.0063   62.617   22.592   76.956   19.290 -14.33896 29.70692 
1 1 1  -40   13   19 o  123.702   10.350   45.972   6.6305   38.909   10.418   50.781   8.5963  113.901   16.926  133.503   11.916 -19.60243 20.69995 
1 1 1  -40   13   20 o   41.429   13.006  -3.5511   6.4397 -14.6792   9.8223   4.8385   8.5285   33.771   16.478   49.087   20.127 -15.31538 26.01218 
1 1 1  -40   13   21 o   54.754   15.104   7.5655   6.4092   11.800   10.077   4.6891   8.3054   61.245   22.785   48.263   19.834 12.98272 30.20865 
1 1 1  -40   13   22 o   59.518   15.446   11.117   6.5123   9.6692   10.165   12.125   8.4817   57.799   22.544   61.238   21.121 -3.439125 30.89251 
1 1 1  -40   13   23 o   56.243   16.367   7.5217   7.9330   6.3903   10.456   9.0563   12.177   53.645   22.172   58.842   24.080 -5.197128 32.73321 
1 1 1  -40   13   24 o   70.081   17.055   16.609   7.7839   15.120   10.434   18.477   11.689   67.305   23.414   72.856   24.805 -5.550217 34.11037 
1 1 1  -40   13   25 o   78.319   15.149   22.813   7.7019   5.4797   13.471   31.231   9.3876   56.579   24.354  100.059   18.025 -43.48003 30.29877 
1 1 1  -40   13   26 o   60.510   25.545   8.3491   14.327   8.3491   14.327   0.0000   0.0000   60.510   25.545  ?   ?       ?      ? 
1 1 1  -40   13   27 o   64.113   15.998   13.553   7.0994   9.2786   11.069   16.540   9.2531   58.178   23.264   70.049   21.968 -11.87167 31.99640 
1 1 1  -40   13   28 o   98.389   14.481   31.616   7.3578   38.430   11.626   27.064   9.5030  106.855   20.884   89.923   20.066 16.93234 28.96185 
1 1 1  -40   13   29 o   50.714   15.097   5.6922   6.9167   11.232   11.160   2.2373   8.8135   57.523   23.232   43.905   19.285 13.61818 30.19350 
1 1 1  -40   13   30 o   46.137   14.260   0.0604   7.0605   10.854   10.815  -7.9563   9.3208   56.734   22.886   35.541   17.020 21.19362 28.52053 
1 1 1  -40   13   31 o   66.898   15.409   13.865   7.0152   26.897   10.945   4.7790   9.1390   85.598   23.120   48.199   20.378 37.39871 30.81854 
1 1 1  -40   13   32 o   70.573   17.757   18.799   8.4040   15.374   10.847   23.941   13.292   64.608   23.711   76.539   26.439 -11.93014 35.51382 
1 1 1  -40   13   33 o   54.524   16.560   7.0337   9.1822   16.178   13.202  -1.5336   12.779   63.332   25.377   45.717   21.281 17.61481 33.11932 
1 1 1  -40   13   34 o   61.986   17.017   12.993   9.4133  -1.6689   13.348   27.500   13.277   45.716   21.433   78.255   26.438 -32.53927 34.03427 
1 1 1  -40   14    1 o   46.044   12.138   0.4330   5.5782 -18.8511   9.1292   11.923   7.0467   30.171   14.945   61.917   19.130 -31.74691 24.27560 
1 1 1  -40   14    2 o   97.441   12.223   30.185   5.8977   23.253   9.5483   34.462   7.4994   84.980   20.931  109.902   12.628 -24.92227 24.44516 
1 1 1  -40   14    3 o   71.053   13.412   17.251   5.8835   5.8314   9.7038   23.890   7.3986   52.986   21.568   89.120   15.949 -36.13377 26.82439 
1 1 1  -40   14    4 o  117.462   10.104   40.504   6.0959   37.838   10.106   42.029   7.6430  113.043   16.544  121.880   11.605 -8.836479 20.20816 
1 1 1  -40   14    5 o  108.131   11.236   35.436   6.0491   31.853   9.9259   37.553   7.6296  101.368   18.814  114.894   12.289 -13.52535 22.47150 
1 1 1  -40   14    6 o  147.221   8.7198   62.046   6.6606   60.220   10.953   63.118   8.3902  144.389   14.038  150.053   10.348 -5.664215 17.43956 
1 1 1  -40   14    7 o   98.308   12.011   28.459   6.0998   32.046   9.8841   26.253   7.7521  101.776   18.660   94.840   15.127 6.936211 24.02109 
1 1 1  -40   14    8 o   44.802   13.584   0.8319   5.8083   5.0209   9.2781  -1.8679   7.4485   51.196   20.993   38.409   17.246 12.78747 27.16848 
1 1 1  -40   14    9 o   55.147   14.429   8.3313   5.8968   4.0134   9.2798   11.256   7.6368   49.794   20.759   60.500   20.045 -10.70576 28.85756 
1 1 1  -40   14   10 o   67.080   15.130   14.225   6.0890   14.969   9.7282   13.746   7.8075   68.228   22.625   65.931   20.096 2.296463 30.26099 
1 1 1  -40   14   11 o   45.244   13.797   1.4937   6.0861  -0.8928   9.8607   2.9622   7.7352   45.020   20.055   45.468   18.954 -0.4483833 27.59447 
1 1 1  -40   14   12 o   99.246   19.462   36.663   10.920   28.671   18.958   40.631   13.358   87.065   31.439  111.427   22.949 -24.36155 38.92376 
1 1 1  -40   14   13 o   48.835   16.065  -6.5318   10.276 -21.6959   18.743  -0.0142   12.288   47.378   23.038   50.292   22.396 -2.914234 32.13007 
1 1 1  -40   14   14 o   84.042   16.841   24.194   8.0093   25.977   10.371   21.559   12.608   89.142   21.728   78.941   25.737 10.20045 33.68180 
1 1 1  -40   14   15 o   87.595   13.996   25.556   6.5577   18.336   10.474   30.211   8.4101   73.894   23.398  101.296   15.365 -27.40185 27.99169 
1 1 1  -40   14   16 o  100.443   12.842   31.751   6.4586   29.158   10.698   33.238   8.1017   94.124   21.504  106.761   14.043 -12.63752 25.68349 
1 1 1  -40   14   17 o   47.737   14.061   0.9718   6.3476   10.519   9.8681  -5.7665   8.2903   59.269   22.443   36.205   16.948 23.06417 28.12276 
1 1 1  -40   14   18 o   42.001   13.382  -5.1921   6.5152   5.6302   10.389 -12.2063   8.3641   52.482   21.930   31.520   15.342 20.96207 26.76348 
1 1 1  -40   14   19 o   54.196   14.313   2.2941   6.3103   19.425   10.728  -6.7685   7.8029   74.423   23.692   33.969   16.068 40.45418 28.62689 
1 1 1  -40   14   20 f   68.845   15.796   16.060   6.6596   15.156   10.865   16.605   8.4287   67.015   23.844   70.676   20.725 -3.661598 31.59217 
1 1 1  -40   14   21 o   36.997   12.434  -8.3130   6.6600  -9.5610   10.437  -7.4558   8.6498   38.299   18.250   35.695   16.894 2.604088 24.86882 
1 1 1  -40   14   22 o   49.940   14.883   4.1536   6.8521   1.6078   10.898   5.8182   8.8119   48.908   21.464   50.971   20.624 -2.062592 29.76662 
1 1 1  -40   14   23 o  180.931   9.5493   94.168   9.2933   84.079   12.503  106.622   13.892  170.110   13.602  191.753   13.407 -21.64290 19.09856 
1 1 1  -40   14   24 o  123.118   20.402   47.973   13.573   47.973   13.573   0.0000   0.0000  123.118   20.402  ?   ?       ?      ? 
1 1 1  -40   14   25 o   37.729   12.845 -10.2175   7.1073 -10.0293   12.519 -10.3070   8.6336   42.011   20.010   33.446   16.110 8.564941 25.68917 
1 1 1  -40   14   26 o   63.767   16.038   14.084   6.8470   14.124   11.173   14.061   8.6646   63.642   23.930   63.892   21.358 -0.2501869 32.07512 
1 1 1  -40   14   27 o   57.028   15.594   11.209   6.9934   7.3571   11.237   13.645   8.9344   52.711   22.454   61.346   21.644 -8.635235 31.18738 
1 1 1  -40   14   28 o   98.526   13.925   34.107   7.0495   29.521   11.197   37.118   9.0735   88.178   23.190  108.875   15.423 -20.69718 27.85007 
1 1 1  -40   14   29 o   50.411   14.862   2.0422   7.0648   15.066   11.392  -6.0960   9.0054   64.140   24.154   36.682   17.323 27.45839 29.72426 
1 1 1  -40   14   30 o   34.983   12.034 -12.2515   6.9586  -8.8089   11.020 -14.5344   8.9740   38.865   18.583   31.102   15.294 7.763098 24.06750 
1 1 1  -40   14   31 o   74.040   18.176   23.132   9.3893   15.435   13.698   29.955   12.896   62.886   25.614   85.194   25.795 -22.30732 36.35252 
1 1 1  -40   14   32 o   40.401   13.731  -8.0300   8.6965  -8.2838   13.120  -7.8311   11.615   41.414   19.926   39.387   18.898 2.027298 27.46222 
1 1 1  -40   15    1 o  115.778   10.138   38.560   6.1834   41.732   10.057   36.632   7.8406  118.707   15.678  112.849   12.858 5.857178 20.27605 
1 1 1  -40   15    2 o   88.218   13.499   23.401   6.1685   32.273   9.9977   17.947   7.8383  101.465   18.931   74.970   19.249 26.49442 26.99833 
1 1 1  -40   15    3 o  140.734   9.0566   58.362   6.6067   50.018   10.439   63.936   8.5329  130.747   14.776  150.721   10.477 -19.97424 18.11325 
1 1 1  -40   15    4 o   35.120   11.792  -7.6850   5.8688  -8.8338   9.5611  -6.9905   7.4340   37.135   17.630   33.106   15.667 4.029343 23.58492 
1 1 1  -40   15    5 f   39.670   12.844  -4.2469   5.9300   0.3606   9.8830  -6.8388   7.4127   46.160   20.344   33.180   15.684 12.97996 25.68795 
1 1 1  -40   15    6 o   43.903   12.863   0.5805   5.7944 -12.2121   9.6663   7.7555   7.2392   35.070   16.931   52.736   19.368 -17.66574 25.72521 
1 1 1  -40   15    7 o  109.202   11.724   36.240   6.3340   34.650   10.714   37.094   7.8532  104.719   19.657  113.686   12.784 -8.966263 23.44783 
1 1 1  -40   15    8 o   44.555   13.319   1.1231   5.9925  -7.8281   9.7392   6.5765   7.6018   38.251   18.050   50.860   19.590 -12.60898 26.63768 
1 1 1  -40   15    9 o  118.395   10.646   39.886   6.6961   49.989   10.694   33.372   8.5878  130.224   15.198  106.566   14.913 23.65816 21.29265 
1 1 1  -40   15   10 o   65.863   14.643   14.494   6.3504   6.2280   10.311   19.545   8.0606   53.677   22.084   78.049   19.236 -24.37237 29.28696 
1 1 1  -40   15   11 o   74.638   18.946   16.871   7.7757   26.126   19.891   15.201   8.4478   81.278   31.582   67.999   20.935 13.27857 37.89111 
1 1 1  -40   15   12 o   61.221   18.834   6.0016   10.845   15.831   19.386   1.5241   13.084   70.480   29.733   51.962   23.128 18.51738 37.66860 
1 1 1  -40   15   13 o   56.454   17.748   3.7182   10.781  -3.7050   18.902   7.2973   13.125   55.294   25.786   57.614   24.393 -2.320385 35.49603 
1 1 1  -40   15   14 o   42.467   13.531  -1.2900   6.4569  -0.9741   10.045  -1.5124   8.4293   44.400   19.974   40.534   18.260 3.865692 27.06288 
1 1 1  -40   15   15 o  147.960   9.6290   65.962   7.3967   53.976   11.391   74.700   9.7259  134.085   15.722  161.836   11.122 -27.75117 19.25809 
1 1 1  -40   15   16 o   53.574   14.913   7.4615   6.4925   3.4314   10.214   10.194   8.4105   49.535   21.261   57.612   20.919 -8.076824 29.82678 
1 1 1  -40   15   17 o   41.382   13.187  -8.1521   6.6814   6.5645   10.292 -18.8727   8.7841   53.752   22.083   29.012   14.420 24.73935 26.37463 
1 1 1  -40   15   18 o   43.158   19.828  -3.6842   10.572  -3.6842   10.572   0.0000   0.0000   43.158   19.828  ?   ?       ?      ? 
1 1 1  -40   15   19 o   35.645   12.125 -10.9538   6.7856 -10.8998   10.306 -10.9951   9.0159   37.194   17.834   34.096   16.433 3.098354 24.25066 
1 1 1  -40   15   20 o  134.553   10.271   53.322   7.3450   51.773   11.324   54.447   9.6504  131.804   15.899  137.303   13.007 -5.498734 20.54192 
1 1 1  -40   15   21 o   63.910   21.584   13.193   8.8497   0.0000   0.0000   13.193   8.8497  ?   ?    63.910   21.584      ?      ? 
1 1 1  -40   15   22 o   71.171   15.108   13.659   8.2500   32.792   11.646  -5.6171   11.689   98.696   22.355   43.647   20.329 55.04930 30.21591 
1 1 1  -40   15   23 o   39.530   13.135  -6.1266   6.9110  -4.3096   11.161  -7.2565   8.8013   43.173   20.026   35.887   17.001 7.286003 26.26943 
1 1 1  -40   15   24 o   82.412   16.161   19.990   7.6079   44.505   13.989   9.6953   9.0657  109.609   24.261   55.214   21.358 54.39522 32.32272 
1 1 1  -40   15   25 o   39.015   13.007  -4.9532   6.9042  -3.2416   11.080  -6.0396   8.8276   42.187   19.697   35.844   16.994 6.342640 26.01486 
1 1 1  -40   15   26 o   50.918   15.044   6.8455   6.9600   4.4341   10.773   8.5728   9.1182   49.030   21.434   52.805   21.114 -3.774944 30.08706 
1 1 1  -40   15   27 o   55.165   15.632   8.9605   7.0142   11.338   10.807   7.2296   9.2203   58.651   23.134   51.678   21.028 6.973057 31.26333 
1 1 1  -40   15   28 o   49.354   14.924   4.6558   7.0173   7.0311   10.663   2.8414   9.3196   52.719   22.136   45.989   20.024 6.730732 29.84885 
1 1 1  -40   15   29 o   51.748   15.988   6.0589   8.4299   5.8381   11.325   6.3333   12.624   50.921   22.123   52.576   23.087 -1.655094 31.97533 
1 1 1  -40   15   30 o   56.727   16.730   8.3752   9.2105   21.671   13.574  -2.9707   12.539   69.499   26.320   43.956   20.661 25.54364 33.46046 
1 1 1  -40   16    1 o   53.110   14.670   6.8679   6.0076   11.009   9.6499   4.2474   7.6766   59.677   22.278   46.543   19.091 13.13364 29.33904 
1 1 1  -40   16    2 o   51.259   14.128   6.1496   6.1209  -1.2421   9.6752   11.082   7.9036   43.426   19.563   59.092   20.388 -15.66569 28.25620 
1 1 1  -40   16    3 o   94.322   12.952   28.071   6.3547   27.408   9.8930   28.536   8.2914   91.149   20.574   97.496   15.738 -6.347893 25.90309 
1 1 1  -40   16    4 o   85.828   14.227   23.945   6.4086   25.910   9.9908   22.571   8.3537   87.990   21.252   83.665   18.921 4.324173 28.45422 
1 1 1  -40   16    5 o   40.611   12.972  -1.5782   5.9934  -3.7989   9.6547  -0.1859   7.6448   40.939   18.860   40.283   17.816 0.6557121 25.94456 
1 1 1  -40   16    6 o   45.182   13.867   1.7121   6.0527   2.9785   10.096   1.0015   7.5626   48.751   21.033   41.612   18.078 7.138233 27.73490 
1 1 1  -40   16    7 o  100.501   13.599   32.860   6.8996   29.390   11.320   34.910   8.7030   92.566   22.785  108.435   14.853 -15.86919 27.19833 
1 1 1  -40   16    8 o   81.483   14.824   23.377   6.7570   16.121   10.868   27.950   8.6269   68.530   23.894   94.435   17.552 -25.90501 29.64734 
1 1 1  -40   16    9 o  110.217   20.221   39.381   11.599   39.381   11.599   0.0000   0.0000  110.217   20.221  ?   ?       ?      ? 
1 1 1  -40   16   10 o  117.464   17.689   52.310   8.6815   41.036   20.620   54.739   9.5712   97.507   32.947  137.421   12.889 -39.91462 35.37807 
1 1 1  -40   16   11 o   71.553   16.819   13.181   11.363 -33.7162   20.137   35.090   13.764   44.049   21.884   99.058   25.547 -55.00962 33.63858 
1 1 1  -40   16   12 f  123.498   18.401   60.894   12.477   29.797   19.887   81.081   16.023   84.956   31.929  162.040   18.299 -77.08456 36.80123 
1 1 1  -40   16   13 o   42.083   13.572  -3.0993   6.7688  -0.4137   10.314  -5.1308   8.9709   45.727   20.430   38.439   17.872 7.287758 27.14369 
1 1 1  -40   16   14 o   33.491   11.593 -15.5766   6.8289 -11.2330   10.463 -18.8003   9.0135   37.310   17.911   29.671   14.724 7.639317 23.18582 
1 1 1  -40   16   15 o   54.957   15.482   5.7457   7.1041   14.028   11.088  -0.0212   9.2524   65.721   23.995   44.192   19.570 21.52847 30.96367 
1 1 1  -40   16   16 o  120.017   12.052   41.343   7.3455   61.087   11.918   29.249   9.3276  143.623   15.357   96.410   18.578 47.21368 24.10373 
1 1 1  -40   16   17 o  111.942   15.855   37.328   9.5909   0.0000   0.0000   37.328   9.5909  ?   ?   111.942   15.855      ?      ? 
1 1 1  -40   16   18 o   46.467   14.308   0.9529   6.9602  -5.0680   10.805   5.2234   9.0998   42.474   19.703   50.459   20.752 -7.984760 28.61519 
1 1 1  -40   16   19 o   40.526   13.220  -3.9593   6.7306  -6.3150   10.325  -2.2187   8.8756   40.269   18.870   40.782   18.519 -0.5128288 26.43925 
1 1 1  -40   16   20 o   43.400   13.767  -1.0114   6.5983   3.0216   10.339  -3.7829   8.5706   48.584   21.122   38.217   17.664 10.36649 27.53490 
1 1 1  -40   16   21 o   43.831   14.133  -3.2842   7.7969   5.2807   10.865 -12.3784   11.196   50.703   21.848   36.958   17.933 13.74485 28.26504 
1 1 1  -40   16   22 f   75.786   17.107   22.644   8.1844   16.111   11.279   29.910   11.895   64.298   24.069   87.273   24.317 -22.97506 34.21413 
1 1 1  -40   16   23 o   56.420   16.050   10.615   7.2732   10.574   12.696   10.635   8.8736   57.045   24.063   55.796   21.245 1.248932 32.09910 
1 1 1  -40   16   24 o   32.612   11.363 -15.8654   6.8384 -10.8394   10.555 -19.5006   8.9770   36.587   17.671   28.638   14.290 7.948147 22.72532 
1 1 1  -40   16   25 o   99.903   14.010   34.465   7.2391   27.378   11.131   39.660   9.5297   86.278   23.319  113.529   15.534 -27.25151 28.01970 
1 1 1  -40   16   26 o   43.560   13.877   0.2017   6.8789  -1.4909   10.473   1.4859   9.1227   43.209   19.809   43.911   19.439 -0.7020149 27.75349 
1 1 1  -40   16   27 o   41.072   13.655  -7.4883   7.9353 -16.9836   10.788   3.7072   11.714   33.286   16.444   48.858   21.804 -15.57193 27.30984 
1 1 1  -40   16   28 o   42.253   14.211  -8.2408   8.9276   3.4910   13.279 -17.9167   12.060   49.571   22.565   34.935   17.282 14.63661 28.42218 
1 1 1  -40   17    1 o  112.634   13.889   36.967   8.4534   0.0000   0.0000   36.967   8.4534  ?   ?   112.634   13.889      ?      ? 
1 1 1  -40   17    2 o   95.220   13.310   29.124   6.6066   23.484   9.9385   33.589   8.8433   83.953   21.737  106.488   15.368 -22.53537 26.62084 
1 1 1  -40   17    3 o   94.880   13.459   30.389   6.7002   17.176   10.060   40.924   8.9825   71.362   22.966  118.398   14.040 -47.03578 26.91797 
1 1 1  -40   17    4 o  130.485   10.080   49.891   6.9219   49.429   11.040   50.190   8.8852  128.793   15.864  132.177   12.440 -3.383545 20.15956 
1 1 1  -40   17    5 o  170.856   8.4764   81.114   7.7067   98.659   12.259   69.649   9.9099  185.500   12.230  156.213   11.740 29.28699 16.95275 
1 1 1  -40   17    6 o  118.333   11.366   42.213   7.0665   39.706   11.117   43.913   9.1536  113.866   18.068  122.800   13.794 -8.934319 22.73207 
1 1 1  -40   17    7 o  173.217   8.6435   84.858   7.9695   92.688   12.590   79.623   10.295  179.136   13.006  167.297   11.388 11.83865 17.28693 
1 1 1  -40   17    8 o  124.234   13.184   52.573   7.6054   32.062   12.214   65.562   9.7197   96.985   23.543  151.484   11.874 -54.49872 26.36761 
1 1 1  -40   17    9 o   80.003   19.616   16.176   8.2586   41.239   20.311   11.212   9.0396   99.750   32.673   60.256   21.716 39.49353 39.23186 
1 1 1  -40   17   10 o  105.655   20.334   38.101   12.356   65.833   20.436   22.122   15.513  133.600   29.129   77.710   28.381 55.89040 40.66876 
1 1 1  -40   17   11 o  133.708   17.981   58.409   12.142   77.185   20.517   48.288   15.063  148.343   26.571  119.074   24.234 29.26920 35.96252 
1 1 1  -40   17   12 o   50.243   14.340  -0.7356   6.9903   14.740   10.585 -12.7066   9.3093   66.771   23.559   33.715   16.357 33.05691 28.68059 
1 1 1  -40   17   13 o  151.363   9.7916   68.398   7.7817   57.311   11.758   77.041   10.381  138.570   15.702  164.156   11.702 -25.58676 19.58329 
1 1 1  -40   17   14 o   45.647   13.690  -2.1477   7.0228 -18.5868   10.820   9.8191   9.2315   33.849   16.673   57.445   21.718 -23.59644 27.37972 
1 1 1  -40   17   15 o   40.615   13.255  -4.5005   6.9444 -10.3101   10.610  -0.1460   9.1853   37.844   18.132   43.386   19.339 -5.542416 26.50985 
1 1 1  -40   17   16 o   51.917   14.539   5.2133   7.0034  -6.7065   10.794   13.879   9.2035   40.315   19.017   63.518   21.996 -23.20290 29.07735 
1 1 1  -40   17   17 o   32.336   11.280 -15.9479   6.9342 -16.5318   10.794 -15.5376   9.0479   33.983   16.722   30.689   15.142 3.293238 22.55913 
1 1 1  -40   17   18 o   49.523   14.787   6.0127   6.7408   5.6802   10.434   6.2508   8.8309   49.973   21.471   49.073   20.337 0.9002876 29.57353 
1 1 1  -40   17   19 o   36.847   12.291  -7.4067   6.7714 -18.6393   10.644   0.2300   8.7764   32.302   16.024   41.393   18.641 -9.091293 24.58208 
1 1 1  -40   17   20 o   80.013   17.063   25.124   8.0911   21.570   11.560   28.536   11.328   73.472   24.670   86.554   23.581 -13.08158 34.12684 
1 1 1  -40   17   21 o   50.412   15.315   4.3520   7.7209  -0.9264   10.929   9.6104   10.909   44.638   20.378   56.185   22.869 -11.54729 30.63068 
1 1 1  -40   17   22 o   42.612   14.056  -3.7672   7.5565  -2.3626   12.790  -4.5204   9.3659   46.426   21.500   38.798   18.113 7.627819 28.11292 
1 1 1  -40   17   23 o   78.799   16.772   19.833   7.5803   37.748   13.743   12.000   9.0877   98.569   25.581   59.028   21.697 39.54041 33.54313 
1 1 1  -40   17   24 o   61.612   16.177   12.834   7.1981   21.066   11.557   7.6173   9.2004   72.024   24.664   51.200   20.939 20.82453 32.35400 
1 1 1  -40   17   25 o   51.757   15.226   3.9204   8.1084   17.653   11.425 -10.0135   11.509   65.523   24.284   37.992   18.374 27.53116 30.45179 
1 1 1  -40   18    1 o   44.919   13.839   2.2357   6.3189   0.6819   9.4646   3.4852   8.4877   44.060   19.636   45.777   19.508 -1.717304 27.67880 
1 1 1  -40   18    2 o   53.990   15.043   8.4725   6.4764   6.9545   9.8220   9.6402   8.6144   52.403   21.556   55.577   20.987 -3.173717 30.08538 
1 1 1  -40   18    3 o   43.443   13.521   0.0803   6.4422  -6.2484   9.7551   4.9752   8.5791   38.581   18.162   48.304   20.034 -9.723049 27.04126 
1 1 1  -40   18    4 o   48.046   14.484   3.2455   6.5908   7.3596   10.179   0.2758   8.6484   53.616   21.987   42.476   18.859 11.14049 28.96751 
1 1 1  -40   18    5 o  126.160   10.957   49.096   7.2578   43.113   11.130   53.523   9.5733  117.405   17.543  134.914   13.132 -17.50941 21.91343 
1 1 1  -40   18    6 o  104.035   13.275   35.515   7.0623   31.055   10.969   38.673   9.2297   94.895   21.844  113.174   15.092 -18.27974 26.55087 
1 1 1  -40   18    7 o  158.564   9.3525   74.443   7.8346   72.707   12.309   75.626   10.158  155.485   14.651  161.643   11.629 -6.157837 18.70507 
1 1 1  -40   18    8 o   86.518   18.610   29.439   8.6711   28.851   21.005   29.559   9.5202   78.570   31.824   94.465   19.302 -15.89511 37.21992 
1 1 1  -40   18    9 o   58.575   18.177  -2.6777   11.982   27.432   18.927 -22.8153   15.479   77.414   30.591   39.736   19.642 37.67834 36.35404 
1 1 1  -40   18   10 o   64.666   19.740   12.749   12.183   26.306   20.298   5.1149   15.232   74.534   30.857   54.797   24.629 19.73703 39.48082 
1 1 1  -40   18   11 o   75.401   15.851   20.058   7.0870   29.568   11.103   13.520   9.2063   89.406   22.886   61.395   21.938 28.01108 31.70215 
1 1 1  -40   18   12 o   51.932   15.118   7.6690   6.9341   4.6625   10.678   9.8616   9.1185   49.108   21.406   54.757   21.354 -5.649509 30.23603 
1 1 1  -40   18   13 o   61.295   15.918   13.378   6.9342   18.387   10.633   9.6710   9.1468   68.367   23.645   54.223   21.317 14.14404 31.83527 
1 1 1  -40   18   14 o   60.776   15.562   13.460   7.0694   6.6121   10.673   18.813   9.4363   51.049   21.817   70.503   22.196 -19.45359 31.12331 
1 1 1  -40   18   15 o   54.282   14.932   6.0309   7.0651   19.071   10.714  -4.0018   9.3978   69.820   23.748   38.744   18.107 31.07564 29.86362 
1 1 1  -40   18   16 o   55.399   15.666   9.2322   7.0743   12.784   10.786   6.5506   9.3715   60.278   23.303   50.520   20.945 9.757805 31.33202 
1 1 1  -40   18   17 o   61.435   15.255   12.549   7.2326   1.5190   11.128   20.615   9.5165   47.264   21.161   75.607   21.979 -28.34325 30.51029 
1 1 1  -40   18   18 o   39.326   12.941  -4.6747   6.8302 -11.7217   10.954  -0.1918   8.7366   37.000   17.902   41.651   18.692 -4.650948 25.88147 
1 1 1  -40   18   19 o   51.385   14.845   6.0869   7.0626  -2.0998   10.906   12.001   9.2689   43.573   20.063   59.196   21.886 -15.62295 29.69040 
1 1 1  -40   18   20 o   54.798   16.087   7.1127   8.2693  -1.0582   11.333   16.417   12.093   44.633   20.514   64.963   24.785 -20.32988 32.17365 
1 1 1  -40   18   21 o   70.161   14.449   5.3385   7.7925   44.932   13.746 -13.4106   9.4592  107.998   24.159   32.323   15.855 75.67474 28.89737 
1 1 1  -40   18   22 o   69.633   16.537   12.768   7.8374   39.865   14.461   1.4992   9.3257   96.093   26.826   43.172   19.347 52.92111 33.07475 
1 1 1  -40   19    1 o   70.827   14.089   15.554   6.6643   31.223   10.059   3.2944   8.8973   95.771   20.078   45.883   19.771 49.88825 28.17854 
1 1 1  -40   19    2 o   61.730   15.460   13.498   6.6133   10.069   9.9448   16.217   8.8550   56.213   22.186   67.246   21.538 -11.03233 30.92089 
1 1 1  -40   19    3 o   49.486   14.536   5.1551   6.3933   10.006   9.9391   1.7314   8.3499   56.029   22.159   42.943   18.819 13.08654 29.07170 
1 1 1  -40   19    4 f   47.856   14.283   4.5712   6.5316  -0.4504   10.350   7.8947   8.4200   43.977   19.980   51.736   20.416 -7.759098 28.56639 
1 1 1  -40   19    5 o   68.612   16.032   17.413   6.8812   17.450   10.508   17.385   9.1048   68.046   23.508   69.177   21.806 -1.131470 32.06397 
1 1 1  -40   19    6 o   50.653   14.523   5.6203   6.8523  -3.5947   10.504   12.448   9.0412   41.520   19.316   59.786   21.692 -18.26619 29.04554 
1 1 1  -40   19    7 o   40.085   14.413 -20.8506   8.5128  -7.7905   21.094 -23.3914   9.3041   52.376   25.217   27.795   13.966 24.58038 28.82557 
1 1 1  -40   19    8 o   76.736   20.398   26.797   13.217   7.8851   21.926   37.590   16.564   61.077   28.238   92.394   29.442 -31.31751 40.79506 
1 1 1  -40   19    9 o   75.479   20.164   9.3591   12.469   57.973   22.594 -11.9302   14.952  107.385   34.404   43.573   21.042 63.81176 40.32853 
1 1 1  -40   19   10 o   50.030   14.611   5.7306   6.6715   0.5477   10.212   9.5899   8.8120   44.966   20.192   55.095   21.124 -10.12930 29.22238 
1 1 1  -40   19   11 o   52.346   14.928   7.2197   6.8045   1.7324   10.386   11.347   9.0071   46.470   20.648   58.221   21.565 -11.75116 29.85600 
1 1 1  -40   19   12 o   79.245   14.959   20.360   7.0754   36.385   11.210   9.7479   9.1222  102.948   20.865   55.542   21.442 47.40519 29.91807 
1 1 1  -40   19   13 o   40.313   13.229  -6.5885   6.9377   3.6342   10.776 -13.8240   9.0663   48.925   21.411   31.702   15.545 17.22270 26.45899 
1 1 1  -40   19   14 o   45.454   14.219   1.0108   6.8160   6.4082   10.718  -2.6542   8.8321   51.754   21.985   39.154   18.038 12.60002 28.43771 
1 1 1  -40   19   15 o   42.746   13.750  -0.5513   6.9693  -2.4619   10.479   0.9643   9.3327   42.092   19.482   43.400   19.409 -1.308395 27.49989 
1 1 1  -40   19   16 f   51.651   14.992   5.7552   6.9932   14.892   10.718  -1.0170   9.2280   62.385   23.441   40.916   18.696 21.46944 29.98426 
1 1 1  -40   19   17 o   48.439   14.786   4.5476   7.0637   9.5253   10.785   0.8083   9.3476   54.220   22.473   42.657   19.222 11.56327 29.57229 
1 1 1  -40   19   18 o   77.794   15.499   21.796   7.2599   36.050   11.383   12.022   9.4258   98.378   21.968   57.210   21.869 41.16750 30.99712 
1 1 1  -40   20    1 o   47.823   13.787   3.7953   6.5186  -7.5823   9.7699   12.925   8.7515   36.402   17.430   59.244   21.365 -22.84164 27.57320 
1 1 1  -40   20    2 o   40.522   13.141  -2.6342   6.5607   3.8081   9.9368  -7.6128   8.7354   46.745   20.506   34.298   16.438 12.44729 26.28147 
1 1 1  -40   20    3 o   35.737   12.118  -7.8637   6.5996  -5.9027   10.170  -9.2901   8.6738   38.433   18.227   33.040   15.972 5.393044 24.23535 
1 1 1  -40   20    4 o   51.782   15.000   7.8397   6.6877   10.582   9.9661   5.5929   9.0201   55.598   22.125   47.965   20.260 7.633759 30.00020 
1 1 1  -40   20    5 o   68.255   16.159   18.146   7.0023   17.715   10.789   18.459   9.2040   66.679   23.757   69.830   21.911 -3.151299 32.31860 
1 1 1  -40   20    6 o   53.486   17.980   0.0714   13.261   7.7748   22.886  -3.8221   16.270   58.786   27.718   48.185   22.911 10.60130 35.96101 
1 1 1  -40   20    7 o   49.260   16.858  -6.8096   13.191  -6.7613   22.312  -6.8356   16.356   51.914   25.219   46.607   22.379 5.306805 33.71638 
1 1 1  -40   20    8 o   69.562   21.033   23.422   13.572   33.221   22.470   17.795   17.029   75.021   31.849   64.102   27.482 10.91842 42.06654 
1 1 1  -40   20    9 o   65.590   15.208   14.507   6.7357   26.503   10.518   6.1679   8.7700   82.906   22.777   48.275   20.158 34.63104 30.41637 
1 1 1  -40   20   10 o   46.126   14.262   3.8533   6.7071   4.4528   10.116   3.3829   8.9596   47.442   20.754   44.810   19.569 2.631153 28.52470 
1 1 1  -40   20   11 o   62.923   15.288   15.147   6.9437   6.9493   10.513   21.490   9.2482   50.572   21.635   75.275   21.605 -24.70243 30.57511 
1 1 1  -40   20   12 o   41.617   13.453  -2.6481   6.8280   6.1711   10.530  -9.0471   8.9694   49.600   21.440   33.634   16.255 15.96585 26.90540 
1 1 1  -39    0    1 o   88.215   11.430   23.414   6.9411   23.414   6.9411   23.414   6.9411   88.215   16.164   88.215   16.164 0.000000 0.000000 
1 1 1  -39    0    2 o   19.115   9.6273  -8.5883   6.1640  -8.5883   6.1640  -8.5883   6.1640   19.115   13.615   19.115   13.615 0.000000 0.000000 
1 1 1  -39    0    3 o   22.100   10.843  -5.2763   6.3888  -5.2763   6.3888  -5.2763   6.3888   22.100   15.335   22.100   15.335 0.000000 0.000000 
1 1 1  -39    0    4 o   31.043   13.520   2.2609   6.2510   2.2609   6.2510   2.2609   6.2510   31.043   19.120   31.043   19.120 0.000000 0.000000 
1 1 1  -39    0    5 o   85.255   11.407   21.972   6.6561   21.972   6.6561   21.972   6.6561   85.255   16.131   85.255   16.131 0.000000 0.000000 
1 1 1  -39    0    6 o  183.442   5.9731   92.046   8.3329   92.046   8.3329   92.046   8.3329  183.442   8.4472  183.442   8.4472 0.000000 0.000000 
1 1 1  -39    0    7 o   46.797   15.966   9.0460   6.6318   9.0460   6.6318   9.0460   6.6318   46.797   22.579   46.797   22.579 0.000000 0.000000 
1 1 1  -39    0    8 o   38.208   15.125   5.6408   6.6283   5.6408   6.6283   5.6408   6.6283   38.208   21.390   38.208   21.390 0.000000 0.000000 
1 1 1  -39    0    9 o   19.533   9.8599  -9.5798   6.6027  -9.5798   6.6027  -9.5798   6.6027   19.533   13.944   19.533   13.944 0.000000 0.000000 
1 1 1  -39    0   10 o   45.497   16.218   8.6100   6.9710   8.6100   6.9710   8.6100   6.9710   45.497   22.935   45.497   22.935 0.000000 0.000000 
1 1 1  -39    0   11 o  157.728   6.7902   68.511   8.1150   68.511   8.1150   68.511   8.1150  157.728   9.6027  157.728   9.6027 0.000000 0.000000 
1 1 1  -39    0   12 o  174.494   6.3589   83.520   8.4279   83.520   8.4279   83.520   8.4279  174.494   8.9928  174.494   8.9928 0.000000 0.000000 
1 1 1  -39    0   13 o  134.712   7.4832   50.426   7.5943   50.426   7.5943   50.426   7.5943  134.712   10.583  134.712   10.583 0.000000 0.000000 
1 1 1  -39    0   14 o   21.235   10.940 -22.8153   10.372 -22.8153   10.372 -22.8153   10.372   21.235   15.471   21.235   15.471 0.000000 0.000000 
1 1 1  -39    0   17 o   43.160   17.756   6.8604   9.6506   6.8604   9.6506   6.8604   9.6506   43.160   25.111   43.160   25.111 0.000000 0.000000 
1 1 1  -39    0   18 o  133.327   7.6554   49.527   7.6817   49.527   7.6817   49.527   7.6817  133.327   10.826  133.327   10.826 0.000000 0.000000 
1 1 1  -39    0   19 o  167.145   6.4308   76.803   8.1586   76.803   8.1586   76.803   8.1586  167.145   9.0945  167.145   9.0945 0.000000 0.000000 
1 1 1  -39    0   20 o  145.795   7.1120   58.868   7.8373   58.868   7.8373   58.868   7.8373  145.795   10.058  145.795   10.058 0.000000 0.000000 
1 1 1  -39    0   21 o   95.812   10.599   27.088   7.1940   27.088   7.1940   27.088   7.1940   95.812   14.990   95.812   14.990 0.000000 0.000000 
1 1 1  -39    0   22 o   90.217   11.621   24.601   7.2249   24.601   7.2249   24.601   7.2249   90.217   16.435   90.217   16.435 0.000000 0.000000 
1 1 1  -39    0   23 o   71.541   15.122   17.615   7.1997   17.615   7.1997   17.615   7.1997   71.541   21.385   71.541   21.385 0.000000 0.000000 
1 1 1  -39    0   24 o   30.692   13.784   1.2716   7.0421   1.2716   7.0421   1.2716   7.0421   30.692   19.493   30.692   19.493 0.000000 0.000000 
1 1 1  -39    0   25 o   19.255   9.7876 -11.5023   6.9943 -11.5023   6.9943 -11.5023   6.9943   19.255   13.842   19.255   13.842 0.000000 0.000000 
1 1 1  -39    0   26 o   33.689   14.622   3.0462   7.2569   3.0462   7.2569   3.0462   7.2569   33.689   20.679   33.689   20.679 0.000000 0.000000 
1 1 1  -39    0   27 o   23.538   11.539  -5.5542   7.1938  -5.5542   7.1938  -5.5542   7.1938   23.538   16.318   23.538   16.318 0.000000 0.000000 
1 1 1  -39    0   28 f   40.225   16.155   6.4307   7.7098   6.4307   7.7098   6.4307   7.7098   40.225   22.847   40.225   22.847 0.000000 0.000000 
1 1 1  -39    0   29 f  129.315   8.5376   47.279   8.2679   47.279   8.2679   47.279   8.2679  129.315   12.074  129.315   12.074 0.000000 0.000000 
1 1 1  -39    0   30 o   36.815   15.649   4.4836   7.9494   4.4836   7.9494   4.4836   7.9494   36.815   22.131   36.815   22.131 0.000000 0.000000 
1 1 1  -39    0   31 o  103.239   12.237   32.189   8.8391   32.189   8.8391   32.189   8.8391  103.239   17.306  103.239   17.306 0.000000 0.000000 
1 1 1  -39    0   32 o   54.364   20.648   13.338   11.825   13.338   11.825   13.338   11.825   54.364   29.201   54.364   29.201 0.000000 0.000000 
1 1 1  -39    0   33 o   50.081   19.293   11.194   10.461   11.194   10.461   11.194   10.461   50.081   27.284   50.081   27.284 0.000000 0.000000 
1 1 1  -39    0   34 f   89.716   19.682   29.459   11.818   29.459   11.818   29.459   11.818   89.716   27.835   89.716   27.835 0.000000 0.000000 
1 1 1  -39    0   35 o   70.070   18.166   19.046   8.9825   19.046   8.9825   19.046   8.9825   70.070   25.690   70.070   25.690 0.000000 0.000000 
1 1 1  -39    0   36 o   34.347   15.327   2.6544   8.5536   2.6544   8.5536   2.6544   8.5536   34.347   21.675   34.347   21.675 0.000000 0.000000 
1 1 1  -39    0   37 o   47.099   17.897   10.159   8.8879   10.159   8.8879   10.159   8.8879   47.099   25.310   47.099   25.310 0.000000 0.000000 
1 1 1  -39    0   38 o   40.643   16.961   6.5840   9.0212   6.5840   9.0212   6.5840   9.0212   40.643   23.986   40.643   23.986 0.000000 0.000000 
1 1 1  -39    0   40 o   27.329   13.226  -4.2368   8.7539  -4.2368   8.7539  -4.2368   8.7539   27.329   18.704   27.329   18.704 0.000000 0.000000 
1 1 1  -39    0   41 o   22.136   11.200 -11.6335   8.7216 -11.6335   8.7216 -11.6335   8.7216   22.136   15.840   22.136   15.840 0.000000 0.000000 
1 1 1  -39    0   42 o   24.472   12.157  -7.4069   8.7601  -7.4069   8.7601  -7.4069   8.7601   24.472   17.193   24.472   17.193 0.000000 0.000000 
1 1 1  -39    1    1 o   78.510   11.219   18.501   4.8345   7.0092   6.7990   30.253   6.8757   52.553   18.845  104.467   12.180 -51.91369 22.43845 
1 1 1  -39    1    2 o  104.306   8.9911   30.389   5.0056   36.053   7.1278   24.878   7.0313  114.199   11.551   94.413   13.782 19.78632 17.98226 
1 1 1  -39    1    3 o   87.514   10.583   21.910   4.8164   17.046   6.6958   27.125   6.9332   76.259   16.710   98.769   12.990 -22.50922 21.16571 
1 1 1  -39    1    4 o   65.406   11.947   12.135   4.7243   20.400   6.7765   4.3198   6.5898   83.991   15.502   46.821   18.182 37.17059 23.89365 
1 1 1  -39    1    5 o   42.216   11.705   0.0760   4.5611   7.9394   6.4823  -7.6343   6.4188   54.198   18.472   30.234   14.380 23.96387 23.40941 
1 1 1  -39    1    6 o   40.118   12.017   0.3054   4.6009  -2.2746   6.5026   2.8917   6.5107   36.213   16.197   44.024   17.757 -7.810398 24.03481 
1 1 1  -39    1    7 o   84.773   11.087   20.894   4.8884   27.117   6.9580   14.829   6.8692   98.738   13.041   70.808   17.934 27.93024 22.17383 
1 1 1  -39    1    8 o   81.610   11.278   19.001   4.8493   25.492   7.1691   13.526   6.5842   95.539   13.887   67.680   17.775 27.85842 22.55617 
1 1 1  -39    1    9 o   56.974   13.501   8.9260   4.9545   6.9809   7.1221   10.750   6.8967   52.964   19.247   60.985   18.939 -8.020718 27.00275 
1 1 1  -39    1   10 o  130.628   7.5986   47.001   5.3056   56.655   7.7109   38.322   7.3115  143.544   9.9410  117.712   11.495 25.83172 15.19717 
1 1 1  -39    1   11 o   37.690   11.774  -1.6100   4.7152  -0.2534   6.8664  -2.8207   6.4865   39.939   17.288   35.441   15.987 4.497448 23.54752 
1 1 1  -39    1   12 o   77.374   12.088   17.675   4.9265   19.631   6.9463   15.696   6.9880   82.006   16.250   72.741   17.900 9.264336 24.17570 
1 1 1  -39    1   13 o  176.193   6.2023   85.132   5.8846   94.330   8.4024   76.278   8.2439  185.650   8.3757  166.736   9.1499 18.91351 12.40454 
1 1 1  -39    1   14 o  106.314   12.803   32.795   7.2058   32.072   10.205   33.514   10.176  104.261   18.805  108.366   17.379 -4.105301 25.60531 
1 1 1  -39    1   17 o   45.694   14.212  -2.0228   7.0362  -8.7342   10.852   2.8446   9.2419   41.584   19.442   49.804   20.736 -8.219902 28.42484 
1 1 1  -39    1   18 o   36.493   11.519  -2.9562   4.7687   0.8252   6.7289  -6.7718   6.7592   40.983   17.415   32.003   15.082 8.980175 23.03742 
1 1 1  -39    1   19 o   63.415   13.186   12.016   4.9507   8.5386   7.3069   14.966   6.7311   56.044   19.589   70.787   17.656 -14.74342 26.37154 
1 1 1  -39    1   20 o   42.123   12.558   1.3148   4.8899   1.8001   6.8590   0.8132   6.9731   42.729   17.833   41.516   17.686 1.213264 25.11662 
1 1 1  -39    1   21 o   41.875   12.490   1.2907   4.8377   1.4346   6.8627   1.1485   6.8205   42.148   17.730   41.602   17.598 0.5461006 24.98088 
1 1 1  -39    1   22 o  206.635   5.9250  117.209   6.6138  115.598   9.4260  118.772   9.2822  205.189   8.5014  208.082   8.2552 -2.893326 11.84994 
1 1 1  -39    1   23 o  126.342   8.0363   44.338   5.4800   45.720   7.9864   43.108   7.5331  128.146   11.533  124.538   11.194 3.608315 16.07253 
1 1 1  -39    1   24 o  136.845   7.6668   52.054   5.6639   50.916   8.1300   53.127   7.8951  135.294   11.120  138.397   10.557 -3.102783 15.33352 
1 1 1  -39    1   25 o   88.555   11.188   22.796   5.2142   26.190   7.5324   19.674   7.2251   95.958   14.527   81.152   17.020 14.80613 22.37607 
1 1 1  -39    1   26 o   60.764   13.778   10.778   5.1593   13.317   7.5903   8.5973   7.0342   66.118   19.739   55.411   19.228 10.70704 27.55603 
1 1 1  -39    1   27 o  104.078   9.8011   30.847   5.4963   33.160   7.7335   28.487   7.8129  108.260   13.220   99.896   14.474 8.364540 19.60216 
1 1 1  -39    1   28 o   80.529   12.185   19.784   5.3292   11.718   7.5414   27.830   7.5318   62.294   19.868   98.763   14.113 -36.46944 24.37022 
1 1 1  -39    1   29 o   56.476   14.009   8.4684   5.4488   12.920   8.0448   4.6953   7.4063   64.847   20.503   48.104   19.095 16.74301 28.01814 
1 1 1  -39    1   30 o   59.993   14.384   10.653   5.5593   11.447   7.9979   9.9113   7.7328   61.652   20.518   58.333   20.165 3.319382 28.76793 
1 1 1  -39    1   31 o   50.405   14.995   3.5037   6.5690   3.7401   7.9189   2.9820   11.763   47.482   19.423   53.328   22.851 -5.846222 29.99069 
1 1 1  -39    1   32 o  127.067   11.509   45.066   7.1586   52.477   13.684   42.274   8.3997  132.068   19.175  122.066   12.734 10.00244 23.01837 
1 1 1  -39    1   33 f   32.791   15.736  -9.8151   8.0624   0.0000   0.0000  -9.8151   8.0624  ?   ?    32.791   15.736      ?      ? 
1 1 1  -39    1   34 o   97.897   13.690   27.015   6.8912   19.631   8.4404   41.779   11.935   78.539   19.872  117.255   18.836 -38.71607 27.38077 
1 1 1  -39    1   35 o   53.975   14.245   5.7468   6.7041   14.593   8.5988  -7.9662   10.706   67.451   21.180   40.499   19.053 26.95206 28.48937 
1 1 1  -39    1   36 o   84.551   14.035   23.129   6.3018   22.897   8.9615   23.357   8.8634   83.995   20.027   85.108   19.667 -1.113411 28.06902 
1 1 1  -39    1   37 o   50.331   14.436   5.7823   6.1197   5.9071   8.7978   5.6654   8.5182   50.702   20.575   49.959   20.255 0.7420845 28.87191 
1 1 1  -39    1   38 o   75.336   15.042   18.893   6.3919   17.651   8.8289   20.261   9.2659   72.810   21.171   77.863   21.373 -5.052513 30.08396 
1 1 1  -39    1   39 o  120.220   14.394   42.346   9.3506   42.346   9.3506   0.0000   0.0000  120.220   14.394  ?   ?       ?      ? 
1 1 1  -39    1   40 o   47.999   13.922   2.8743   6.3024  -4.8908   9.2141   9.7013   8.6396   39.091   18.154   56.907   21.112 -17.81628 27.84402 
1 1 1  -39    1   41 o   33.220   11.382 -10.6471   6.3272 -11.9742   9.1057  -9.4080   8.7983   32.757   15.957   33.682   16.234 -0.9257278 22.76353 
1 1 1  -39    1   42 o   52.263   14.924   8.1601   6.5301   9.4443   9.2449   6.8814   9.2250   54.159   21.386   50.366   20.822 3.793003 29.84882 
1 1 1  -39    1   43 o   67.834   27.039   17.980   14.907   0.0000   0.0000   17.980   14.907  ?   ?    67.834   27.039      ?      ? 
1 1 1  -39    2    1 o  208.664   5.6369  119.171   6.3432  114.890   9.1573  123.120   8.7950  204.967   8.2679  212.361   7.6643 -7.393448 11.27385 
1 1 1  -39    2    2 o   57.839   13.082   9.5046   4.6187   9.5577   6.6589   9.4553   6.4118   58.051   18.686   57.628   18.313 0.4233551 26.16352 
1 1 1  -39    2    3 o  241.226   5.4271  158.734   7.0718  164.288   10.147  153.489   9.8612  245.333   7.6541  237.119   7.6962 8.214005 10.85428 
1 1 1  -39    2    4 o   48.330   12.720   5.1781   4.5276   2.9395   6.4389   7.3675   6.3677   43.919   17.679   52.741   18.295 -8.821941 25.44073 
1 1 1  -39    2    5 o   81.096   11.151   19.462   4.7292   12.345   6.7418   26.356   6.6357   64.767   18.400   97.425   12.605 -32.65824 22.30291 
1 1 1  -39    2    6 o  123.821   7.7048   42.523   5.1160   36.902   7.2779   48.014   7.1931  115.502   11.661  132.139   10.074 -16.63695 15.40961 
1 1 1  -39    2    7 o  142.644   7.0284   55.797   5.3694   66.449   7.8205   46.297   7.3851  155.646   9.2984  129.641   10.542 26.00482 14.05689 
1 1 1  -39    2    8 o  124.984   7.8521   43.265   5.2847   39.955   7.5671   46.416   7.3836  120.167   11.653  129.801   10.527 -9.633553 15.70412 
1 1 1  -39    2    9 o   82.546   11.554   19.816   4.9653   21.239   7.2562   18.562   6.8091   85.397   16.320   79.694   16.360 5.703072 23.10773 
1 1 1  -39    2   10 o  145.277   7.1052   58.050   5.5768   58.802   7.9794   57.332   7.7973  146.183   10.101  144.371   9.9948 1.811600 14.21043 
1 1 1  -39    2   11 o   80.346   11.833   18.828   5.0615   15.119   7.1995   22.452   7.1172   71.289   18.521   89.403   14.732 -18.11347 23.66603 
1 1 1  -39    2   12 o   43.424   12.461   1.4483   4.8218   6.1246   6.9281  -2.9448   6.7150   50.866   18.898   35.982   16.246 14.88363 24.92140 
1 1 1  -39    2   13 o  132.558   9.2367   48.376   6.5187   45.638   8.4275   52.455   10.285  128.216   12.164  136.900   13.904 -8.683151 18.47347 
1 1 1  -39    2   14 o   50.961   14.910   2.7686   6.8023  -0.5340   9.5197   6.2140   9.7234   46.251   20.185   55.672   21.949 -9.421555 29.81960 
1 1 1  -39    2   15 f   38.448   18.036  -8.4257   9.4748   0.0000   0.0000  -8.4257   9.4748  ?   ?    38.448   18.036      ?      ? 
1 1 1  -39    2   16 o   74.834   16.091   17.315   7.9933   4.0383   13.001   25.383   10.135   58.151   24.430   91.518   20.947 -33.36609 32.18121 
1 1 1  -39    2   17 o  105.719   13.445   31.937   7.4266   41.104   11.525   25.428   9.7119  119.600   17.833   91.838   20.126 27.76240 26.88985 
1 1 1  -39    2   18 o   46.378   12.958   3.7046   4.9068   1.0596   7.0693   6.1635   6.8162   42.203   17.887   50.553   18.753 -8.350571 25.91555 
1 1 1  -39    2   19 o   61.452   12.821   11.031   4.9409   4.8461   7.2681   16.345   6.7370   48.792   19.054   74.113   17.160 -25.32167 25.64257 
1 1 1  -39    2   20 o   70.448   12.757   15.108   5.0021   10.648   7.2936   19.068   6.8731   60.500   19.565   80.397   16.377 -19.89759 25.51405 
1 1 1  -39    2   21 o   86.225   11.346   21.784   5.0881   22.392   7.3731   21.231   7.0303   87.329   16.222   85.121   15.868 2.208138 22.69247 
1 1 1  -39    2   22 o  145.914   7.1869   58.927   5.6556   57.695   8.2053   60.043   7.8060  144.340   10.520  147.488   9.7946 -3.147614 14.37381 
1 1 1  -39    2   23 o  138.269   7.4806   52.813   5.5795   56.293   8.1838   49.791   7.6269  142.495   10.628  134.044   10.530 8.450699 14.96112 
1 1 1  -39    2   24 o  162.099   6.7940   72.319   5.9101   84.731   8.6271   61.342   8.1130  175.340   9.1053  148.858   10.086 26.48196 13.58803 
1 1 1  -39    2   25 o   56.112   13.071   8.1554   5.0887   14.430   7.1668   1.7760   7.2266   68.875   18.752   43.349   18.213 25.52570 26.14103 
1 1 1  -39    2   26 o   60.842   13.001   10.153   5.1833   2.9676   7.2093   17.843   7.4576   45.092   18.499   76.592   18.274 -31.49989 26.00293 
1 1 1  -39    2   27 o   53.638   19.740   7.5164   7.5251   7.5164   7.5251   0.0000   0.0000   53.638   19.740  ?   ?       ?      ? 
1 1 1  -39    2   28 o  114.508   9.2342   37.106   5.7057   39.878   8.1947   34.498   7.9490  118.771   12.768  110.244   13.343 8.526428 18.46836 
1 1 1  -39    2   29 o   33.116   11.095  -8.8066   5.4150  -3.8745   7.6305 -13.8103   7.6857   37.008   16.945   29.225   14.327 7.783476 22.18946 
1 1 1  -39    2   30 o   44.277   13.753   0.0479   6.1487   1.2999   7.5755  -2.3694   10.526   43.133   18.406   45.420   20.439 -2.287407 27.50522 
1 1 1  -39    2   31 o   37.704   12.241  -4.6248   5.7451  -1.9633   7.9951  -7.4661   8.2609   40.040   17.931   35.368   16.669 4.671513 24.48217 
1 1 1  -39    2   32 o   39.689   12.854  -4.0981   5.9480  -1.7698   9.8802  -5.4216   7.4491   44.512   19.933   34.867   16.236 9.644230 25.70889 
1 1 1  -39    2   33 o   50.796   14.637   4.2843   6.8333  -9.5315   13.061   9.4918   8.0184   44.373   20.927   57.220   20.471 -12.84700 29.27456 
1 1 1  -39    2   34 o   99.448   14.103   29.485   6.9096   34.865   12.646   27.195   8.2500  102.740   23.313   96.156   15.878 6.583748 28.20610 
1 1 1  -39    2   35 o   67.654   15.899   15.107   6.9871   18.012   8.7357   9.9482   11.641   74.550   20.863   60.757   23.996 13.79317 31.79725 
1 1 1  -39    2   36 o   66.091   13.555   12.678   6.9047   26.432   9.0805  -6.1757   10.631   90.974   19.081   41.208   19.258 49.76592 27.11009 
1 1 1  -39    2   37 o   47.501   14.129   3.3256   6.2651   0.1627   8.8367   6.5224   8.8839   43.244   19.138   51.758   20.790 -8.513878 28.25758 
1 1 1  -39    2   38 o  103.281   12.048   32.715   6.5478   31.017   9.4883   34.258   9.0474   99.327   18.354  107.235   15.613 -7.907501 24.09677 
1 1 1  -39    2   39 o  117.718   15.241   40.977   9.6946   0.0000   0.0000   40.977   9.6946  ?   ?   117.718   15.241      ?      ? 
1 1 1  -39    2   40 o  119.800   10.537   42.496   6.8075   45.883   10.001   39.571   9.2926  124.234   14.897  115.366   14.906 8.867683 21.07442 
1 1 1  -39    2   41 o   91.001   14.109   28.718   6.7700   24.384   9.5554   33.087   9.5932   82.376   21.306   99.627   18.501 -17.25120 28.21781 
1 1 1  -39    2   42 o   48.004   15.025   2.7956   7.2506   0.9561   8.8435   6.5676   12.664   42.664   19.000   53.344   23.281 -10.68000 30.04990 
1 1 1  -39    2   43 o   41.062   20.070 -16.5946   14.750   0.0000   0.0000 -16.5946   14.750  ?   ?    41.062   20.070      ?      ? 
1 1 1  -39    3    1 o   74.399   12.155   16.416   4.7739   15.369   7.1472   17.259   6.4146   71.915   18.336   76.884   15.962 -4.969002 24.31056 
1 1 1  -39    3    2 o  231.105   5.6009  145.678   6.9794  149.705   10.265  142.217   9.5178  234.004   8.1183  228.206   7.7183 5.798920 11.20174 
1 1 1  -39    3    3 o  149.415   6.6481   60.946   5.3518   65.716   7.9481   56.989   7.2388  154.709   9.5074  144.121   9.2950 10.58786 13.29615 
1 1 1  -39    3    4 o  122.201   7.8801   41.115   5.1467   49.856   7.5229   33.424   7.0567  134.558   10.346  109.845   11.889 24.71338 15.76029 
1 1 1  -39    3    5 o   85.667   11.066   22.927   4.9109   8.3233   7.0137   36.972   6.8785   55.600   19.205  115.734   10.999 -60.13425 22.13159 
1 1 1  -39    3    6 o  107.544   8.6203   32.022   4.9828   32.641   7.4696   31.527   6.6885  108.345   12.758  106.743   11.596 1.601654 17.24068 
1 1 1  -39    3    7 o   60.685   12.842   10.358   4.8550   5.0645   6.8838   15.598   6.8483   48.763   18.677   72.608   17.631 -23.84551 25.68413 
1 1 1  -39    3    8 o  108.517   8.5368   32.661   5.0048   33.364   7.0706   31.954   7.0852  109.722   11.925  107.312   12.219 2.410881 17.07357 
1 1 1  -39    3    9 o   85.043   11.244   21.013   4.9762   21.948   7.0726   20.097   7.0029   87.061   15.607   83.024   16.191 4.037582 22.48827 
1 1 1  -39    3   10 o   69.242   12.857   14.253   4.8841   13.000   6.9881   15.450   6.8291   66.263   18.701   72.221   17.649 -5.958015 25.71363 
1 1 1  -39    3   11 o  170.321   6.4663   79.838   5.9301   73.109   8.4603   86.337   8.3144  163.112   9.5987  177.531   8.6670 -14.41864 12.93264 
1 1 1  -39    3   12 o   96.925   11.823   25.061   5.8524   19.445   7.2081   35.923   10.025   81.350   16.948  112.499   16.491 -31.14988 23.64691 
1 1 1  -39    3   13 o  145.244   9.4292   59.165   7.3135   48.581   10.252   70.135   10.437  131.555   14.421  158.933   12.152 -27.37825 18.85849 
1 1 1  -39    3   14 o  126.679   10.745   45.282   7.3386   41.599   10.317   49.054   10.441  121.267   15.744  132.092   14.627 -10.82481 21.49065 
1 1 1  -39    3   15 o   39.810   12.765  -3.6310   5.5853  -1.7959   9.6466  -4.5564   6.8503   45.080   19.971   34.540   15.903 10.54074 25.52951 
1 1 1  -39    3   16 o  140.418   11.404   55.916   8.6289   57.320   12.748   54.730   11.723  141.822   16.634  139.014   15.606 2.808075 22.80869 
1 1 1  -39    3   17 o  106.475   15.027   34.201   8.2732   35.608   12.662   33.153   10.929  107.775   22.470  105.175   19.960 2.600174 30.05446 
1 1 1  -39    3   18 o  139.384   9.0301   52.286   6.5631   47.095   8.1164   62.095   11.156  130.193   11.537  148.576   13.895 -18.38295 18.06020 
1 1 1  -39    3   19 o  145.075   7.1865   58.253   5.6225   54.765   8.0154   61.632   7.8891  140.669   10.545  149.481   9.7668 -8.812149 14.37300 
1 1 1  -39    3   20 o  129.219   7.9566   46.203   5.5448   49.626   8.1496   43.252   7.5659  133.648   11.285  124.790   11.220 8.858269 15.91317 
1 1 1  -39    3   21 f   44.529   12.859   2.5528   4.9947  -0.1061   7.2978   4.8958   6.8505   41.038   17.794   48.020   18.569 -6.981186 25.71820 
1 1 1  -39    3   22 o   80.409   12.478   19.233   5.2507   20.360   7.8655   18.326   7.0521   82.372   18.160   78.446   17.118 3.926628 24.95567 
1 1 1  -39    3   23 o  123.534   8.2781   42.570   5.5135   42.471   8.0625   42.657   7.5567  123.265   12.104  123.802   11.296 -0.5375137 16.55624 
1 1 1  -39    3   24 o  106.791   9.3442   31.962   5.3714   36.130   7.8984   28.377   7.3265  113.337   12.897  100.245   13.525 13.09177 18.68848 
1 1 1  -39    3   25 o  140.898   7.5800   55.108   5.7644   58.847   8.3545   51.710   7.9637  145.486   10.627  136.311   10.812 9.174591 15.16003 
1 1 1  -39    3   26 o   54.843   13.140   7.7984   5.0839   1.8208   7.3394   13.312   7.0489   43.582   18.335   66.104   18.826 -22.52171 26.27904 
1 1 1  -39    3   27 o   52.502   13.694   7.0140   5.1326   8.5326   7.5522   5.7106   6.9968   55.629   19.870   49.374   18.849 6.255455 27.38825 
1 1 1  -39    3   28 o   57.536   13.969   9.2960   5.3668   12.591   7.7009   6.1849   7.4835   64.156   20.028   50.916   19.480 13.23978 27.93891 
1 1 1  -39    3   29 o   83.849   14.691   22.765   6.5206   24.689   8.1465   19.336   10.878   90.469   17.294   77.229   23.753 13.24025 29.38201 
1 1 1  -39    3   30 o   38.587   12.822  -7.0430   6.3798  -7.3598   7.8243  -6.4144   11.020   34.256   16.169   42.917   19.904 -8.661037 25.64383 
1 1 1  -39    3   31 f   55.108   15.116   4.8939   6.5228   14.164   10.839  -0.3698   8.1673   67.896   23.851   42.321   18.577 25.57462 30.23189 
1 1 1  -39    3   32 o   58.563   14.094   8.9736   6.0631   0.3706   8.8048   16.732   8.3615   44.476   19.412   72.651   20.439 -28.17530 28.18816 
1 1 1  -39    3   33 o   47.346   13.185   2.0462   5.7717  -7.7889   8.4562   10.624   7.8972   35.360   16.726   59.332   20.385 -23.97208 26.36911 
1 1 1  -39    3   34 o   50.104   15.373   2.3339   7.0700   2.7342   13.351   2.1779   8.3345   54.656   23.878   45.551   19.369 9.105282 30.74594 
1 1 1  -39    3   35 o  108.811   13.962   32.760   7.5985   52.365   13.961   24.509   9.0575  129.849   19.897   87.772   19.593 42.07728 27.92494 
1 1 1  -39    3   36 o   61.364   15.702   12.093   6.9247   15.116   8.6476   6.6892   11.561   67.427   21.251   55.300   23.122 12.12764 31.40453 
1 1 1  -39    3   37 o  145.864   10.558   62.738   7.9075   61.828   9.7773   64.459   13.445  146.407   12.359  145.321   17.122 1.086273 21.11590 
1 1 1  -39    3   38 o   77.826   14.831   20.072   6.3961   18.464   9.1185   21.629   8.9740   74.409   21.481   81.242   20.455 -6.832695 29.66223 
1 1 1  -39    3   39 o   48.613   14.264   3.8878   6.2693   7.0022   8.7914   0.6651   8.9428   52.848   20.859   44.378   19.461 8.469975 28.52778 
1 1 1  -39    3   40 o   82.501   14.547   22.709   6.5126   18.603   8.9338   27.365   9.5139   73.843   21.247   91.160   19.874 -17.31681 29.09302 
1 1 1  -39    3   41 o  147.015   8.6986   64.299   6.9074   65.470   9.7002   63.094   9.8382  148.615   12.079  145.415   12.520 3.200150 17.39720 
1 1 1  -39    3   42 o   79.190   16.846   21.668   7.6261   15.497   9.3929   33.604   13.063   65.360   22.236   93.020   25.313 -27.65935 33.69252 
1 1 1  -39    3   43 o   66.327   27.047   17.162   15.295   0.0000   0.0000   17.162   15.295  ?   ?    66.327   27.047      ?      ? 
1 1 1  -39    4    1 o   87.770   10.365   22.125   4.7551   19.865   6.9557   24.108   6.5152   82.513   16.178   93.028   12.961 -10.51446 20.72972 
1 1 1  -39    4    2 o   93.517   9.6074   24.383   4.8269   24.883   7.2537   23.985   6.4664   94.224   14.247   92.811   12.894 1.412804 19.21485 
1 1 1  -39    4    3 o  151.678   6.6883   63.740   5.4274   57.765   8.0069   68.819   7.3821  144.835   10.231  158.520   8.6180 -13.68538 13.37666 
1 1 1  -39    4    4 o  233.410   5.5367  149.090   6.9591  134.312   9.8009  164.117   9.8830  221.605   8.1846  245.214   7.4586 -23.60855 11.07332 
1 1 1  -39    4    5 o  171.493   6.1807   80.326   5.7181   86.750   8.3378   74.621   7.8567  177.966   8.6702  165.020   8.8108 12.94548 12.36133 
1 1 1  -39    4    6 o  142.746   7.0850   55.068   5.4131   66.475   8.2761   46.539   7.1560  155.478   9.8508  130.014   10.186 25.46457 14.16993 
1 1 1  -39    4    7 o  202.378   5.8002  112.339   6.3235  106.586   9.1500  117.598   8.7491  197.288   8.5829  207.469   7.8041 -10.18178 11.60041 
1 1 1  -39    4    8 f  173.193   6.2490   82.578   5.8208   75.403   8.3689   89.303   8.1013  165.727   9.3452  180.660   8.2986 -14.93286 12.49798 
1 1 1  -39    4    9 o   66.008   12.670   13.033   4.7648   9.1250   6.9924   16.422   6.5103   57.264   19.187   74.752   16.554 -17.48795 25.34090 
1 1 1  -39    4   10 o   97.090   9.5530   26.216   5.0002   28.132   7.3828   24.593   6.7963  100.325   13.618   93.854   13.401 6.471313 19.10609 
1 1 1  -39    4   11 o   49.387   13.331   1.2668   5.6173  -6.5825   7.3945   11.977   8.6378   34.222   16.015   64.551   21.315 -30.32929 26.66115 
1 1 1  -39    4   12 o  139.747   9.6296   54.759   7.2452   57.005   9.9748   52.252   10.541  143.027   12.906  136.466   14.295 6.561356 19.25913 
1 1 1  -39    4   13 o   52.265   13.783   2.3864   6.3749 -10.1509   9.2662   13.653   8.7841   36.552   17.354   67.978   21.417 -31.42563 27.56538 
1 1 1  -39    4   14 o  178.260   7.3456   85.981   6.7977   93.649   11.514   81.880   8.4219  183.795   11.594  172.726   9.0233 11.06958 14.69119 
1 1 1  -39    4   15 o   50.609   12.092   3.8717   5.0907  -8.1253   7.5813   13.723   6.8698   33.363   15.798   67.855   18.311 -34.49176 24.18437 
1 1 1  -39    4   16 o   75.385   16.193   17.670   7.6944   8.7297   12.009   23.896   10.022   62.328   24.450   88.442   21.238 -26.11417 32.38570 
1 1 1  -39    4   17 o  137.111   11.379   52.612   8.3182   59.617   13.122   47.905   10.755  144.264   16.833  129.957   15.316 14.30751 22.75752 
1 1 1  -39    4   18 o  107.449   11.987   33.929   6.5413   35.248   8.3614   31.847   10.502  111.907   13.827  102.991   19.586 8.915321 23.97471 
1 1 1  -39    4   19 o   42.077   12.142  -2.2800   5.1497   7.9948   7.4337 -11.7605   7.1406   54.986   19.706   29.169   14.192 25.81674 24.28471 
1 1 1  -39    4   20 o  203.404   6.0537  113.749   6.6424  110.773   9.5995  116.483   9.2007  200.736   8.8499  206.072   8.2626 -5.335907 12.10747 
1 1 1  -39    4   21 o  130.503   8.1345   46.825   5.7013   54.079   8.6036   41.147   7.6126  139.433   11.419  121.572   11.588 17.86042 16.26891 
1 1 1  -39    4   22 o   96.857   10.615   27.177   5.3783   24.212   7.7878   29.881   7.4364   90.666   16.504  103.049   13.355 -12.38297 21.23034 
1 1 1  -39    4   23 o   47.339   13.250   4.0226   5.1628   0.8617   7.6245   6.6991   7.0159   43.056   18.422   51.621   19.050 -8.564869 26.50029 
1 1 1  -39    4   24 o   39.381   12.347  -1.4834   5.2115  -0.6176   7.6782  -2.2230   7.0966   41.155   18.040   37.607   16.864 3.547562 24.69473 
1 1 1  -39    4   25 o   65.380   13.154   12.480   5.3143   19.815   7.6049   5.4801   7.4294   80.963   17.862   49.798   19.315 31.16454 26.30809 
1 1 1  -39    4   26 o   98.269   10.322   27.734   5.4497   25.386   7.8747   29.892   7.5496   93.908   15.518  102.631   13.613 -8.723312 20.64306 
1 1 1  -39    4   27 o   45.214   12.827   1.0730   5.2420   8.8273   7.7898  -5.3443   7.0865   56.388   20.176   34.039   15.846 22.34888 25.65495 
1 1 1  -39    4   28 o   37.132   12.364  -7.4171   6.1173  -8.1102   7.6983  -6.2297   10.076   33.288   15.808   40.976   19.014 -7.688007 24.72707 
1 1 1  -39    4   29 o   78.801   15.297   19.185   6.5074   17.428   8.1139   22.354   10.894   74.685   19.788   82.917   23.332 -8.232155 30.59336 
1 1 1  -39    4   30 o   64.051   15.368   10.878   6.3417   18.734   10.499   6.3653   7.9572   76.235   23.317   51.868   20.025 24.36668 30.73581 
1 1 1  -39    4   31 o  134.486   10.405   52.378   7.0515   51.284   12.303   52.913   8.6054  131.849   17.268  137.123   11.614 -5.274216 20.80997 
1 1 1  -39    4   32 o  114.263   10.050   37.932   6.1526   34.098   8.9415   41.380   8.4792  108.163   15.298  120.363   13.037 -12.19944 20.09967 
1 1 1  -39    4   33 o  136.567   8.6660   52.976   6.3899   54.840   9.2696   51.289   8.8205  138.794   12.360  134.340   12.151 4.453979 17.33193 
1 1 1  -39    4   34 o   52.738   14.730   6.4200   6.2816   3.9460   9.0666   8.7037   8.7111   49.279   20.530   56.197   21.129 -6.918045 29.46061 
1 1 1  -39    4   35 o   55.511   16.016   6.7445   7.0433   9.8266   12.953   5.4508   8.3924   61.079   24.897   49.944   20.155 11.13501 32.03262 
1 1 1  -39    4   36 o   51.246   15.753   1.9771   7.2726   10.011   14.002  -0.9910   8.5105   61.217   25.509   41.276   18.491 19.94115 31.50586 
1 1 1  -39    4   37 o   43.186   14.134  -3.9524   7.5010  -2.4293   9.2044  -6.9640   12.943   41.414   18.826   44.957   21.086 -3.543472 28.26768 
1 1 1  -39    4   38 o  121.037   10.739   43.333   7.0218   42.211   9.9360   44.453   9.9245  119.316   15.411  122.758   14.961 -3.442200 21.47869 
1 1 1  -39    4   39 o   33.259   11.400 -12.0370   6.3368 -13.2574   9.4441 -11.0376   8.5462   33.671   16.368   32.847   15.873 0.8237190 22.80065 
1 1 1  -39    4   40 o   70.886   15.782   17.983   6.7464   17.847   9.5051   18.120   9.5771   70.651   22.281   71.121   22.356 -0.4697418 31.56323 
1 1 1  -39    4   41 f   44.988   13.777   2.4079   6.3834  -2.6077   8.9477   7.6064   9.1094   38.937   18.015   51.040   20.850 -12.10234 27.55473 
1 1 1  -39    4   42 o   61.651   17.064   9.6297   8.9345  -1.2322   11.719   24.707   13.807   45.712   20.955   77.589   26.938 -31.87712 34.12848 
1 1 1  -39    4   43 o   57.789   25.544   9.3986   15.696   0.0000   0.0000   9.3986   15.696  ?   ?    57.789   25.544      ?      ? 
1 1 1  -39    4   44 o   67.117   18.669   15.417   10.250   37.568   17.191   3.1959   12.769   85.436   30.035   48.799   22.180 36.63650 37.33716 
1 1 1  -39    5    1 o  198.423   5.8315  108.023   6.2209  104.476   9.1839  111.031   8.4565  195.263   8.7040  201.584   7.7633 -6.320633 11.66308 
1 1 1  -39    5    2 o   73.539   12.151   16.335   4.7619   12.879   7.1735   19.057   6.3671   65.952   19.057   81.126   15.079 -15.17428 24.30110 
1 1 1  -39    5    3 o  102.550   9.1358   30.154   4.8702   25.400   7.6278   33.425   6.3279   95.027   14.855  110.072   10.639 -15.04543 18.27153 
1 1 1  -39    5    4 o  114.270   8.2007   36.489   5.0130   32.833   7.3705   39.636   6.8383  108.656   12.553  119.884   10.556 -11.22816 16.40150 
1 1 1  -39    5    5 o  156.110   6.5666   66.698   5.5289   70.156   8.1318   63.724   7.5397  159.828   9.4156  152.393   9.1559 7.435608 13.13329 
1 1 1  -39    5    6 o  130.974   10.116   47.231   7.1595   0.0000   0.0000   47.231   7.1595  ?   ?   130.974   10.116      ?      ? 
1 1 1  -39    5    7 o   52.432   12.986   7.0740   4.7176   3.5627   7.1037   9.8445   6.3100   46.450   18.614   58.415   18.112 -11.96532 25.97147 
1 1 1  -39    5    8 o   43.983   12.653   2.3786   4.8440  -0.7579   7.2430   4.9166   6.5155   40.259   17.588   47.707   18.195 -7.448154 25.30560 
1 1 1  -39    5    9 o   59.891   13.116   10.410   4.8566   6.5872   7.2680   13.494   6.5280   52.300   19.371   67.483   17.687 -15.18290 26.23140 
1 1 1  -39    5   10 o   99.417   13.104   28.853   6.8871   31.441   9.8247   26.351   9.6571  104.939   17.326   93.895   19.664 11.04362 26.20762 
1 1 1  -39    5   11 o  201.206   8.2708  112.183   8.9808  113.311   13.063  111.171   12.367  202.047   11.964  200.366   11.423 1.680618 16.54155 
1 1 1  -39    5   12 o  191.633   8.6789  101.495   8.8979  106.419   13.703   97.905   11.700  195.303   12.984  187.962   11.519 7.341812 17.35773 
1 1 1  -39    5   13 o   88.876   12.748   16.941   5.9813   45.360   11.561   6.5535   6.9894  126.043   16.975   51.708   19.025 74.33488 25.49656 
1 1 1  -39    5   14 o  134.857   7.9109   49.880   5.7329   57.639   8.5723   43.602   7.7110  144.308   10.993  125.405   11.379 18.90254 15.82189 
1 1 1  -39    5   15 o   99.099   9.9397   27.828   5.2752   25.536   7.7723   29.785   7.1830   94.974   15.145  103.225   12.878 -8.251099 19.87945 
1 1 1  -39    5   16 o  145.036   11.662   59.802   8.8028   61.464   14.594   58.851   11.037  145.548   18.556  144.523   14.132 1.024170 23.32437 
1 1 1  -39    5   17 o  174.426   10.204   85.057   9.4210   90.428   15.083   81.622   12.064  178.215   15.662  170.636   13.083 7.578674 20.40795 
1 1 1  -39    5   18 o  126.211   10.203   44.379   6.7343   42.515   8.4450   47.635   11.160  123.260   12.679  129.163   15.990 -5.903122 20.40700 
1 1 1  -39    5   19 o   60.295   14.028   10.439   5.3945   7.6663   7.7993   12.982   7.4694   54.795   20.106   65.794   19.567 -10.99915 28.05611 
1 1 1  -39    5   20 o  185.796   6.3499   94.899   6.3512   95.792   9.4154   94.153   8.6034  186.460   9.3447  185.132   8.6000 1.327606 12.69974 
1 1 1  -39    5   21 o   56.973   13.702   9.0983   5.1310   6.6630   7.5303   11.209   7.0101   52.423   19.658   61.524   19.092 -9.101418 27.40359 
1 1 1  -39    5   22 o   61.840   13.519   11.292   5.2719   6.1030   7.7861   15.685   7.1639   51.700   19.849   71.981   18.360 -20.28115 27.03800 
1 1 1  -39    5   23 o   38.482   12.094  -3.1009   5.2356   2.0687   7.5643  -7.8550   7.2540   44.579   18.677   32.386   15.369 12.19264 24.18756 
1 1 1  -39    5   24 o  114.769   9.2284   37.350   5.6884   34.864   8.3197   39.533   7.7952  110.841   13.891  118.698   12.153 -7.857033 18.45681 
1 1 1  -39    5   25 o   42.727   12.832   0.0625   5.3815   4.9174   7.7539  -4.4495   7.4751   49.328   19.552   36.126   16.625 13.20240 25.66475 
1 1 1  -39    5   26 o  194.330   6.5440  103.837   6.8506  114.706   10.143   94.719   9.2894  203.643   9.2176  185.018   9.2915 18.62508 13.08797 
1 1 1  -39    5   27 o   51.467   14.388   4.8524   6.3958   9.9463   8.1386  -3.3739   10.342   58.792   20.666   44.141   20.024 14.65069 28.77582 
1 1 1  -39    5   28 o   80.275   14.762   21.270   6.5722   25.022   8.3572   15.187   10.640   90.895   17.651   69.655   23.666 21.24004 29.52355 
1 1 1  -39    5   29 o   41.522   13.172  -3.8357   5.9636   2.8964   9.9207  -7.6448   7.4624   50.060   21.202   32.984   15.634 17.07650 26.34322 
1 1 1  -39    5   30 o  102.754   12.654   30.975   6.5240   33.964   11.215   29.445   8.0210  104.345   20.620  101.162   14.673 3.182663 25.30815 
1 1 1  -39    5   31 o   40.302   12.519  -3.2255   5.7322 -11.4088   8.2523   4.4042   7.9682   32.245   15.586   48.359   19.596 -16.11468 25.03827 
1 1 1  -39    5   32 o   53.164   14.243   6.4130   5.9898   0.7758   8.5211   11.919   8.4215   44.163   19.188   62.166   21.055 -18.00291 28.48687 
1 1 1  -39    5   33 o   52.567   14.161   4.5637   6.1922   13.695   9.1157  -3.2593   8.4376   65.744   21.906   39.389   17.952 26.35449 28.32200 
1 1 1  -39    5   34 o  154.038   8.4070   67.156   6.9708   71.349   10.424   63.765   9.3754  158.162   12.197  149.915   11.573 8.247803 16.81392 
1 1 1  -39    5   35 o   48.008   14.128   4.1720   6.0484   3.8525   8.9781   4.4375   8.1843   48.238   20.285   47.779   19.669 0.4583397 28.25515 
1 1 1  -39    5   36 o   56.701   16.104   8.5988   7.2025   7.4189   13.171   9.1021   8.6027   57.683   24.430   55.719   20.988 1.964920 32.20778 
1 1 1  -39    5   37 o   41.851   13.464  -3.6198   6.8587  -9.0608   9.9127   1.3772   9.4998   37.522   17.853   46.179   20.159 -8.656624 26.92807 
1 1 1  -39    5   38 o   83.279   26.560   25.135   13.478   0.0000   0.0000   25.135   13.478  ?   ?    83.279   26.560      ?      ? 
1 1 1  -39    5   39 o   46.337   14.118   2.1358   6.4656  -0.3637   9.0066   4.7934   9.2872   42.940   19.145   49.734   20.754 -6.793983 28.23521 
1 1 1  -39    5   40 f   53.791   13.148   4.3142   6.5046 -14.5247   9.5883   20.375   8.8532   32.273   15.857   75.309   20.977 -43.03569 26.29636 
1 1 1  -39    5   41 o   56.296   15.334   8.5306   8.1503   18.952   10.109 -10.8221   13.776   70.666   23.046   41.925   20.234 28.74144 30.66797 
1 1 1  -39    5   42 o   66.588   17.783   16.016   9.1852   8.4167   12.910   23.806   13.071   56.263   24.019   76.913   26.231 -20.64957 35.56650 
1 1 1  -39    6    1 o  119.626   8.0158   39.422   5.1432   41.243   7.8305   38.041   6.8207  121.898   11.888  117.354   10.756 4.544739 16.03152 
1 1 1  -39    6    2 o   74.815   12.248   16.722   4.8140   15.411   7.4532   17.661   6.3059   71.790   18.939   77.840   15.536 -6.049934 24.49607 
1 1 1  -39    6    3 o   61.826   13.097   11.277   4.7341   9.8450   7.1871   12.374   6.2919   58.967   19.442   64.686   17.553 -5.718498 26.19328 
1 1 1  -39    6    4 o  192.316   6.0540  100.488   6.2218  106.802   9.6529   96.001   8.1378  197.284   9.0547  187.348   8.0384 9.936188 12.10798 
1 1 1  -39    6    5 o  119.634   8.1558   40.150   5.1577   36.886   7.9761   42.495   6.7616  115.052   12.829  124.216   10.073 -9.164528 16.31163 
1 1 1  -39    6    6 o   86.330   11.047   21.516   5.0110   19.776   7.3058   23.061   6.8860   81.966   17.050   90.694   14.051 -8.728004 22.09360 
1 1 1  -39    6    7 o  148.172   7.0320   60.921   5.5814   55.297   8.1895   65.799   7.6270  141.515   10.709  154.829   9.1162 -13.31320 14.06408 
1 1 1  -39    6    8 o  213.478   6.0309  125.440   6.9115  118.725   10.206  131.128   9.3929  207.979   9.0816  218.977   7.9380 -10.99866 12.06181 
1 1 1  -39    6    9 o  238.317   7.7624  157.370   9.9682  151.509   14.475  162.658   13.748  233.845   11.455  242.789   10.479 -8.943329 15.52482 
1 1 1  -39    6   10 o  205.093   7.9594  116.796   8.7927  107.725   12.550  125.540   12.322  197.009   11.789  213.177   10.697 -16.16800 15.91880 
1 1 1  -39    6   11 o  208.162   7.9158  118.775   8.8548  132.297   13.406  108.311   11.793  218.491   11.355  197.833   11.032 20.65767 15.83151 
1 1 1  -39    6   12 o   57.024   13.479   8.8566   5.1896   3.8208   7.7487   12.953   6.9885   48.112   19.384   65.935   18.734 -17.82318 26.95735 
1 1 1  -39    6   13 f   69.873   13.202   14.664   5.0756   14.217   7.4702   15.047   6.9175   68.809   19.305   70.937   18.013 -2.128204 26.40398 
1 1 1  -39    6   14 o  107.972   9.3178   32.442   5.4028   37.901   7.9741   27.809   7.3460  116.458   12.671   99.486   13.665 16.97171 18.63564 
1 1 1  -39    6   15 o   90.111   11.512   24.463   5.2792   19.230   8.1599   28.231   6.9235   79.770   19.169  100.452   12.755 -20.68243 23.02452 
1 1 1  -39    6   16 o   76.897   15.302   12.091   8.0318   36.689   13.094  -2.7477   10.170  108.764   22.998   45.031   20.191 63.73280 30.60320 
1 1 1  -39    6   17 o   72.661   17.692   14.933   8.4635   21.279   13.048   10.324   11.120   82.033   26.131   63.290   23.858 18.74253 35.38362 
1 1 1  -39    6   18 o   48.197   14.196  -0.0032   6.2109  -5.0691   7.8164   8.6734   10.230   36.715   16.934   59.678   22.789 -22.96348 28.39213 
1 1 1  -39    6   19 o  116.010   8.9423   37.706   5.5878   37.407   8.2143   37.964   7.6233  115.409   13.172  116.612   12.098 -1.202698 17.88453 
1 1 1  -39    6   20 o  117.436   9.1437   39.182   5.7071   35.443   8.6151   42.106   7.6186  111.910   14.246  122.962   11.466 -11.05192 18.28737 
1 1 1  -39    6   21 o   68.181   13.815   13.999   5.3885   16.695   7.8504   11.597   7.4096   73.942   19.404   62.421   19.671 11.52024 27.63050 
1 1 1  -39    6   22 o   99.649   10.640   28.122   5.4948   36.566   8.3591   21.696   7.2915  113.714   13.604   85.585   16.363 28.12917 21.27914 
1 1 1  -39    6   23 o   35.910   11.794  -6.0152   5.4570  -3.0391   8.2859  -8.2946   7.2517   39.849   18.014   31.971   15.228 7.878149 23.58806 
1 1 1  -39    6   24 o  124.655   8.7175   43.977   5.8300   39.971   8.4780   47.571   8.0299  118.877   13.198  130.434   11.393 -11.55714 17.43510 
1 1 1  -39    6   25 o  108.560   9.7972   33.503   5.7333   34.139   8.4352   32.956   7.8165  109.348   14.276  107.773   13.422 1.574898 19.59443 
1 1 1  -39    6   26 o   77.762   13.550   18.709   5.7483   23.525   8.2247   14.109   8.0373   88.047   17.897   67.477   20.350 20.56965 27.10011 
1 1 1  -39    6   27 o   96.864   13.406   26.769   6.7726   18.796   8.5819   39.932   11.027   77.372   20.280  116.355   17.538 -38.98343 26.81155 
1 1 1  -39    6   28 o   82.757   14.831   21.333   6.4466   22.793   10.787   20.523   8.0404   83.860   23.079   81.654   18.634 2.206001 29.66205 
1 1 1  -39    6   29 o   75.372   14.771   15.987   6.3594   27.568   10.530   9.3371   7.9789   93.363   21.338   57.380   20.432 35.98297 29.54224 
1 1 1  -39    6   30 o   48.855   13.883   4.0522   5.8094  -0.0852   8.3055   8.0156   8.1289   42.873   18.779   54.838   20.452 -11.96490 27.76539 
1 1 1  -39    6   31 o   83.362   13.704   21.821   6.0623   23.963   8.7268   19.823   8.4278   87.619   18.981   79.104   19.771 8.514526 27.40736 
1 1 1  -39    6   32 o   64.377   15.120   13.035   6.1400   12.599   9.0556   13.406   8.3535   63.622   21.831   65.132   20.925 -1.510567 30.23977 
1 1 1  -39    6   33 o   56.303   15.069   8.6302   6.2950   9.8567   9.1096   7.5092   8.7089   58.499   21.683   54.106   20.933 4.392902 30.13866 
1 1 1  -39    6   34 o   57.855   15.007   9.6318   6.2833   13.509   9.0598   6.0388   8.7216   64.495   21.839   51.216   20.589 13.27946 30.01416 
1 1 1  -39    6   35 o   52.256   14.627   7.0043   6.1362   6.3384   8.8060   7.6327   8.5551   51.372   20.676   53.140   20.695 -1.767807 29.25345 
1 1 1  -39    6   36 f   48.074   20.035   4.1055   8.6390   0.0000   0.0000   4.1055   8.6390  ?   ?    48.074   20.035      ?      ? 
1 1 1  -39    6   37 o   89.542   16.987   27.334   7.8885   28.491   14.871   26.881   9.3057   87.355   27.903   91.729   19.381 -4.374252 33.97398 
1 1 1  -39    6   38 o   34.318   16.593 -11.9177   9.3714   0.0000   0.0000 -11.9177   9.3714  ?   ?    34.318   16.593      ?      ? 
1 1 1  -39    6   39 o   82.534   15.667   26.940   8.1228   35.535   10.126   11.428   13.604  104.430   18.627   60.638   25.195 43.79233 31.33322 
1 1 1  -39    6   40 o   49.213   14.708   5.1957   6.8688   0.7321   9.4022   10.305   10.059   42.960   19.326   55.466   22.177 -12.50560 29.41643 
1 1 1  -39    6   41 o   62.718   17.009   11.473   9.1385  -1.3714   12.866   24.550   12.982   47.231   21.764   78.205   26.144 -30.97389 34.01704 
1 1 1  -39    6   42 o   49.041   15.731   1.7718   9.0335   2.3266   12.681   1.2002   12.872   49.404   22.313   48.678   22.180 0.7267723 31.46202 
1 1 1  -39    6   43 o   67.982   19.340   20.670   10.555   27.545   17.480   16.725   13.241   72.895   29.204   63.069   25.364 9.826572 38.68065 
1 1 1  -39    7    1 o  139.890   10.831   54.147   8.1874   54.147   8.1874   0.0000   0.0000  139.890   10.831  ?   ?       ?      ? 
1 1 1  -39    7    2 o   91.189   10.632   23.159   5.0404   30.160   7.8226   18.190   6.5909  103.619   13.971   78.759   16.032 24.85963 21.26501 
1 1 1  -39    7    3 o   27.353   9.4906 -12.3127   4.6355 -11.5508   7.2726 -12.8339   6.0159   29.786   14.453   24.919   12.305 4.866556 18.98127 
1 1 1  -39    7    4 o  159.127   6.5542   68.186   5.5635   78.527   8.7668   61.213   7.1988  168.924   9.6042  149.330   8.9213 19.59386 13.10840 
1 1 1  -39    7    5 o   83.138   11.218   19.340   4.8912   25.070   7.6331   15.348   6.3712   94.223   14.992   72.054   16.691 22.16919 22.43544 
1 1 1  -39    7    6 o  138.884   7.3938   53.487   5.4453   52.029   8.4941   54.504   7.0949  136.964   11.477  140.804   9.3249 -3.840118 14.78754 
1 1 1  -39    7    7 o  127.575   9.2883   44.750   6.3362   40.471   8.2635   50.856   9.8707  120.439   12.697  134.711   13.560 -14.27210 18.57670 
1 1 1  -39    7    8 o   57.995   15.001   8.6409   6.1425   7.7275   8.6714   9.5608   8.7023   56.315   21.099   59.675   21.328 -3.359310 30.00140 
1 1 1  -39    7    9 o  111.934   11.571   36.486   6.7273   30.405   9.6526   42.230   9.3809  101.368   18.295  122.500   14.172 -21.13200 23.14198 
1 1 1  -39    7   10 o  143.467   8.3744   53.476   6.2019   70.608   10.929   45.339   7.5320  158.979   12.722  127.956   10.893 31.02322 16.74882 
1 1 1  -39    7   11 o   29.897   10.223 -11.0346   5.0861 -15.4110   7.7505  -7.7246   6.7405   28.739   14.148   31.056   14.761 -2.316988 20.44573 
1 1 1  -39    7   12 o   43.549   12.746   1.5036   4.9737   4.9566   7.4260  -1.3057   6.6981   49.277   19.256   37.820   16.704 11.45712 25.49114 
1 1 1  -39    7   13 o   52.362   13.707   6.7257   5.1400   7.4758   7.5111   6.0651   7.0490   54.084   19.749   50.640   19.014 3.443748 27.41395 
1 1 1  -39    7   14 o  110.940   9.2050   34.541   5.4486   34.232   8.3646   34.768   7.1810  110.178   14.050  111.701   11.897 -1.522972 18.40998 
1 1 1  -39    7   15 o  153.038   7.3261   66.168   5.9193   55.449   8.8645   74.794   7.9519  141.151   11.622  164.926   8.9227 -23.77448 14.65219 
1 1 1  -39    7   16 o   73.506   17.088   16.536   8.3662   7.9032   13.148   22.410   10.845   62.372   25.207   84.641   23.077 -22.26923 34.17561 
1 1 1  -39    7   17 o  118.834   14.286   41.058   8.7367   47.027   14.354   37.545   11.011  123.844   22.268  113.825   17.903 10.01842 28.57181 
1 1 1  -39    7   18 o   70.989   15.256   15.311   6.3229   14.863   8.3510   15.914   9.6793   69.891   20.668   72.088   22.445 -2.197060 30.51115 
1 1 1  -39    7   19 o   62.021   13.944   11.451   5.3504   8.6537   8.0613   13.653   7.1531   56.839   20.504   67.203   18.904 -10.36367 27.88883 
1 1 1  -39    7   20 o   62.406   13.356   10.767   5.3075   18.060   7.7859   4.4367   7.2543   77.035   18.856   47.778   18.920 29.25755 26.71167 
1 1 1  -39    7   21 o   46.439   13.446   3.2540   5.3716   2.4701   7.9654   3.9079   7.2747   46.035   19.216   46.843   18.814 -0.8076248 26.89266 
1 1 1  -39    7   22 o   36.061   11.723  -5.6142   5.3250  -0.7676   7.8419  -9.7611   7.2537   41.311   18.167   30.811   14.822 10.49948 23.44656 
1 1 1  -39    7   23 o  155.128   7.6102   67.472   6.3206   57.554   8.9743   77.233   8.9034  143.371   11.584  166.884   9.8730 -23.51288 15.22040 
1 1 1  -39    7   24 o   45.193   13.333   2.4698   5.4130   2.8764   7.8631   2.1035   7.4628   46.206   19.173   44.180   18.532 2.025726 26.66575 
1 1 1  -39    7   25 o  118.516   13.437   39.943   8.6056   39.943   8.6056   0.0000   0.0000  118.516   13.437  ?   ?       ?      ? 
1 1 1  -39    7   26 f   49.903   14.309   4.2084   6.2415   7.8083   8.0586  -1.1887   9.8671   54.577   20.361   45.229   20.110 9.348179 28.61817 
1 1 1  -39    7   27 o   38.529   12.393  -3.2939   5.6157  -3.1140   8.4279  -3.4376   7.5312   39.873   18.083   37.186   16.952 2.686588 24.78655 
1 1 1  -39    7   28 f  134.574   10.322   53.254   7.0226   48.086   11.894   56.021   8.7014  127.868   17.213  141.279   11.398 -13.41115 20.64469 
1 1 1  -39    7   29 o   95.885   12.423   29.497   6.0715   15.235   8.7945   42.484   8.3924   69.430   21.358  122.340   12.695 -52.90971 24.84606 
1 1 1  -39    7   30 o   48.112   13.707   3.6831   5.7375  -1.0324   8.1666   8.2791   8.0625   41.239   18.317   54.985   20.395 -13.74672 27.41348 
1 1 1  -39    7   31 o  166.567   7.6686   77.892   6.8919   81.055   10.088   75.124   9.4376  169.633   11.006  163.501   10.682 6.130936 15.33711 
1 1 1  -39    7   32 o   96.809   12.762   30.310   6.3334   17.164   9.2120   42.093   8.7217   72.589   21.763  121.028   13.336 -48.43867 25.52373 
1 1 1  -39    7   33 o   62.424   15.031   12.278   6.0701   13.905   8.8970   10.861   8.3026   65.472   21.633   59.376   20.873 6.096222 30.06148 
1 1 1  -39    7   34 o   47.255   13.960   3.0972   6.2148  -2.0332   9.0999   7.5818   8.5080   41.461   18.798   53.050   20.644 -11.58847 27.91984 
1 1 1  -39    7   35 o   90.607   13.481   26.042   6.5535   35.008   9.5803   18.157   8.9844  107.646   16.470   73.569   21.347 34.07684 26.96221 
1 1 1  -39    7   36 o   40.951   13.264  -3.6589   6.5757  -1.1296   9.9053  -5.6518   8.7927   44.292   19.888   37.611   17.556 6.681271 26.52802 
1 1 1  -39    7   37 o   46.843   14.378   1.7906   6.7542   1.3395   9.6679   2.2206   9.4400   46.530   20.324   47.157   20.342 -0.6271744 28.75502 
1 1 1  -39    7   38 o   53.447   16.382   3.3463   7.9554   11.842   14.878  -0.0556   9.4144   63.056   26.287   43.839   19.557 19.21738 32.76372 
1 1 1  -39    7   39 o   69.597   15.314   18.094   6.7765   11.500   9.8113   24.108   9.3708   57.452   22.221   81.742   21.079 -24.29053 30.62780 
1 1 1  -39    7   40 o   65.194   25.661   16.338   13.270   16.338   13.270   0.0000   0.0000   65.194   25.661  ?   ?       ?      ? 
1 1 1  -39    7   41 o   39.003   13.361 -14.4896   9.0026  -5.4009   11.741 -27.4550   14.024   42.451   19.966   35.555   17.759 6.896023 26.72116 
1 1 1  -39    7   42 o   50.061   22.701   3.5608   13.277   3.5608   13.277   0.0000   0.0000   50.061   22.701  ?   ?       ?      ? 
1 1 1  -39    8    1 o   98.925   9.6594   28.075   5.0326   24.222   7.6722   30.985   6.6674   92.326   15.378  105.523   11.693 -13.19701 19.31872 
1 1 1  -39    8    2 o   82.354   11.740   18.939   5.1246   29.440   8.0065   11.651   6.6699  102.071   14.516   62.637   18.456 39.43315 23.48051 
1 1 1  -39    8    3 o  181.101   6.4605   90.536   6.2411   88.103   9.5493   92.349   8.2460  178.694   9.8895  183.508   8.3157 -4.814301 12.92107 
1 1 1  -39    8    4 o   81.104   11.918   20.108   4.9957   15.439   7.9968   23.096   6.3978   71.405   19.953   90.802   13.039 -19.39791 23.83589 
1 1 1  -39    8    5 o  133.166   8.8204   49.248   6.2657   39.349   8.5363   60.811   9.2260  118.424   13.340  147.909   11.543 -29.48527 17.64071 
1 1 1  -39    8    6 o   88.937   13.284   23.230   6.4561   36.329   9.5781   12.324   8.7398  112.985   15.688   64.890   21.441 48.09476 26.56779 
1 1 1  -39    8    7 f   61.192   14.317   8.4368   6.1783   18.881   9.3367   0.3016   8.2404   78.390   21.429   43.994   18.992 34.39587 28.63344 
1 1 1  -39    8    8 o   86.236   14.003   22.560   6.3858   22.216   9.1802   22.883   8.8886   85.423   20.205   87.050   19.393 -1.627243 28.00565 
1 1 1  -39    8    9 o  110.169   9.9305   33.736   5.5474   48.356   8.5131   22.946   7.3134  131.730   11.960   88.608   15.856 43.12190 19.86096 
1 1 1  -39    8   10 o   50.644   12.931   2.6411   5.2141   13.695   8.1964  -4.8728   6.7577   67.493   20.594   33.795   15.643 33.69784 25.86167 
1 1 1  -39    8   11 o   38.977   12.187  -2.4097   5.0645   1.8252   7.8617  -5.4139   6.6215   45.145   18.983   32.809   15.288 12.33545 24.37395 
1 1 1  -39    8   12 o   74.684   13.026   17.091   5.2894   13.197   7.8334   20.355   7.1711   66.329   20.109   83.040   16.562 -16.71139 26.05176 
1 1 1  -39    8   13 o   40.193   12.232  -0.6141   5.0264  -5.4091   7.5328   3.2343   6.7484   35.573   16.483   44.814   18.078 -9.240891 24.46417 
1 1 1  -39    8   14 o   82.188   12.280   19.773   5.2508   23.169   8.0440   17.251   6.9311   88.328   17.472   76.047   17.262 12.28149 24.56088 
1 1 1  -39    8   15 o   36.956   11.704  -4.5900   5.2171 -12.3083   7.7122   1.9220   7.0839   30.497   14.818   43.414   18.122 -12.91726 23.40848 
1 1 1  -39    8   16 o  135.351   13.133   49.244   8.9257   77.950   15.203   34.144   11.026  164.380   17.116  106.322   19.924 58.05819 26.26595 
1 1 1  -39    8   17 o   41.941   13.933  -9.6889   8.1045 -21.2005   13.961  -3.8378   9.9533   40.572   19.763   43.310   19.645 -2.738209 27.86599 
1 1 1  -39    8   18 o  209.522   6.4856  121.655   7.3034  112.467   10.609  129.932   10.070  201.697   9.7336  217.347   8.5738 -15.64990 12.97122 
1 1 1  -39    8   19 o   51.486   13.428   5.5796   5.3900  -0.6254   7.8123   11.217   7.4460   41.490   18.192   61.483   19.756 -19.99285 26.85595 
1 1 1  -39    8   20 o   45.935   12.765   2.5433   5.1920  -4.8527   7.7458   8.5776   6.9964   36.532   16.853   55.338   19.178 -18.80538 25.53027 
1 1 1  -39    8   21 o   97.515   11.239   28.417   5.6176   22.888   8.3337   33.023   7.6052   86.889   18.326  108.140   13.015 -21.25105 22.47728 
1 1 1  -39    8   22 o   74.931   13.508   17.685   5.6022   12.898   8.3848   21.544   7.5295   65.117   20.969   84.745   17.033 -19.62841 27.01502 
1 1 1  -39    8   23 o   49.279   13.543   4.6838   5.4966  -0.6499   8.2300   8.9785   7.3851   42.256   18.596   56.302   19.692 -14.04569 27.08521 
1 1 1  -39    8   24 o   42.448   12.981   0.3130   5.4813   2.1042   7.9593  -1.3027   7.5594   45.168   19.053   39.727   17.636 5.441090 25.96212 
1 1 1  -39    8   25 o   97.362   13.175   29.294   6.5808   31.697   8.5002   25.698   10.397  104.842   15.004   89.882   21.662 14.95998 26.35035 
1 1 1  -39    8   26 o   50.207   13.899  -0.9275   6.3325 -10.9922   8.1555   14.354   10.049   32.381   15.613   68.033   23.000 -35.65161 27.79870 
1 1 1  -39    8   27 o   77.260   15.260   17.103   6.3934   26.464   11.218   12.599   7.7808   90.472   22.920   64.048   20.154 26.42356 30.52014 
1 1 1  -39    8   28 o   70.408   14.801   15.109   6.1463   20.790   9.3224   10.742   8.1746   80.719   21.127   60.096   20.735 20.62297 29.60208 
1 1 1  -39    8   29 o   45.707   13.730   2.1357   5.9317   0.7205   8.7143   3.3576   8.0971   44.558   19.382   46.856   19.451 -2.298267 27.45904 
1 1 1  -39    8   30 o   48.350   14.024   3.7600   6.0178  -0.0038   8.7937   7.0749   8.2528   43.769   19.243   52.930   20.405 -9.161331 28.04772 
1 1 1  -39    8   31 o   86.474   13.379   22.950   6.3249   33.197   9.3710   14.377   8.5718  105.892   16.377   67.057   21.160 38.83462 26.75740 
1 1 1  -39    8   32 o  147.140   8.4958   62.303   6.6927   55.489   9.7275   68.428   9.2225  138.784   12.971  155.496   10.976 -16.71228 16.99169 
1 1 1  -39    8   33 o   53.781   14.004   7.5431   6.0459  -1.2886   9.4440   13.676   7.8700   42.951   19.341   64.610   20.259 -21.65912 28.00865 
1 1 1  -39    8   34 f   77.061   14.930   19.905   6.3778   19.545   9.6761   20.181   8.4807   75.710   22.207   78.412   19.963 -2.701881 29.86087 
1 1 1  -39    8   35 o   31.782   10.985 -14.1504   6.2757 -17.3273   9.2618 -11.4536   8.5332   31.005   15.302   32.560   15.765 -1.555384 21.96971 
1 1 1  -39    8   36 o  115.551   11.428   40.325   6.9779   37.254   10.745   42.564   9.1763  110.356   18.018  120.746   14.064 -10.38986 22.85692 
1 1 1  -39    8   37 o   76.013   14.542   20.082   6.7511   9.6970   10.146   28.333   9.0437   57.712   22.520   94.315   18.406 -36.60324 29.08456 
1 1 1  -39    8   38 o   43.690   13.864   0.3044   6.7787   3.5339   10.161  -2.2860   9.0999   47.520   20.794   39.859   18.343 7.661327 27.72817 
1 1 1  -39    8   39 o   66.023   18.946   17.976   10.638   15.315   16.430   19.896   13.959   63.253   27.052   68.793   26.533 -5.540318 37.89241 
1 1 1  -39    8   40 o   53.138   23.134   5.7725   12.435   5.7725   12.435   0.0000   0.0000   53.138   23.134  ?   ?       ?      ? 
1 1 1  -39    8   41 o   72.818   26.755   23.176   13.817   23.176   13.817   0.0000   0.0000   72.818   26.755  ?   ?       ?      ? 
1 1 1  -39    8   42 o   30.455   10.934 -28.5389   8.1111 -35.1802   14.845 -25.7122   9.6847   33.565   16.961   27.345   13.804 6.220104 21.86860 
1 1 1  -39    9    1 o  145.553   7.3333   58.317   5.7041   60.600   8.8098   56.670   7.4847  147.767   11.033  143.338   9.6633 4.429001 14.66666 
1 1 1  -39    9    2 o  100.743   15.116   28.819   8.2287   28.819   8.2287   0.0000   0.0000  100.743   15.116  ?   ?       ?      ? 
1 1 1  -39    9    3 o  125.533   9.4706   44.555   6.3779   49.071   8.8638   39.707   9.1840  132.523   12.378  118.543   14.337 13.98021 18.94113 
1 1 1  -39    9    4 o   40.120   12.845  -4.4409   6.0274  -0.0136   9.0178  -8.0158   8.1034   45.378   19.728   34.862   16.454 10.51603 25.68910 
1 1 1  -39    9    5 o   47.048   13.719  -0.0021   6.1022   8.5158   9.0791  -7.0203   8.2412   57.995   21.617   36.101   16.898 21.89430 27.43818 
1 1 1  -39    9    6 o  100.430   12.559   29.275   6.4758   43.333   9.7511   18.182   8.6616  123.745   14.583   77.114   20.452 46.63035 25.11828 
1 1 1  -39    9    7 o   61.429   11.985   7.3799   5.1391   22.692   8.0896  -2.9814   6.6544   87.295   17.754   35.563   16.104 51.73164 23.96942 
1 1 1  -39    9    8 o   82.316   12.188   20.225   5.2803   17.519   8.0626   22.258   6.9872   75.948   19.535   88.683   14.581 -12.73464 24.37626 
1 1 1  -39    9    9 o  116.904   8.8068   37.467   5.5048   43.658   8.5741   33.126   7.1801  124.881   12.706  108.928   12.198 15.95301 17.61367 
1 1 1  -39    9   10 o   65.638   13.734   12.697   5.1375   14.331   8.1197   11.607   6.6342   68.820   20.386   62.456   18.408 6.364162 27.46711 
1 1 1  -39    9   11 o  105.883   10.374   33.288   5.4833   27.208   8.6888   37.312   7.0688   95.909   17.406  115.857   11.291 -19.94819 20.74767 
1 1 1  -39    9   12 o   93.941   10.708   24.930   5.3949   26.392   8.2307   23.828   7.1433   96.119   15.847   91.763   14.406 4.355446 21.41611 
1 1 1  -39    9   13 f   67.456   13.358   14.085   5.2772   8.8209   8.1105   17.950   6.9496   57.296   20.578   77.615   17.037 -20.31898 26.71591 
1 1 1  -39    9   14 o   36.113   11.690  -4.0483   5.0966  -3.2779   7.6478  -4.6637   6.8357   38.039   17.241   34.187   15.792 3.851665 23.38033 
1 1 1  -39    9   15 o   49.571   14.907   3.1110   6.1348  -4.4392   14.210   4.8405   6.8013   51.462   23.393   47.680   18.484 3.782566 29.81446 
1 1 1  -39    9   16 o   70.999   16.734   15.467   8.5514   0.3426   14.804   23.041   10.476   56.395   24.874   85.604   22.391 -29.20869 33.46795 
1 1 1  -39    9   17 o   45.884   15.042  -6.9206   8.2607  -3.5045   14.405  -8.5946   10.084   52.368   23.705   39.401   18.522 12.96758 30.08327 
1 1 1  -39    9   18 o   81.782   12.999   20.026   5.6010   24.099   8.4103   16.780   7.5082   89.442   18.024   74.122   18.736 15.31934 25.99828 
1 1 1  -39    9   19 o  126.644   8.9324   44.584   6.0634   49.882   9.3276   40.707   7.9793  132.927   12.986  120.360   12.269 12.56751 17.86476 
1 1 1  -39    9   20 o   58.005   13.889   8.4315   5.6157   15.706   8.2952   2.2770   7.6301   71.146   20.474   44.865   18.774 26.28107 27.77851 
1 1 1  -39    9   21 f   76.068   13.298   16.976   5.5488   25.250   8.6084   11.094   7.2578   91.313   18.086   60.824   19.500 30.48887 26.59638 
1 1 1  -39    9   22 o   70.107   13.784   15.621   5.6429   10.049   8.5870   19.856   7.4863   59.370   21.190   80.845   17.633 -21.47545 27.56707 
1 1 1  -39    9   23 o   37.510   12.161  -4.1921   5.6124  -6.7701   8.4622  -2.1676   7.4990   36.502   17.098   38.518   17.299 -2.015839 24.32287 
1 1 1  -39    9   24 o   61.656   14.783   11.064   6.6083   17.217   8.3751   0.9133   10.757   74.052   20.317   49.260   21.479 24.79257 29.56536 
1 1 1  -39    9   25 o   93.587   14.198   27.157   6.9105   26.612   9.1415   27.883   10.556   93.194   18.801   93.980   21.281 -0.7867508 28.39690 
1 1 1  -39    9   26 o   93.300   13.611   22.310   6.7035   46.239   11.994   11.439   8.0840  124.978   17.760   61.622   20.630 63.35588 27.22180 
1 1 1  -39    9   27 o   43.677   13.820  -1.0065   6.3660  -4.6847   11.600   0.5785   7.6150   45.296   20.796   42.058   18.206 3.237637 27.63908 
1 1 1  -39    9   28 o   56.162   12.990   6.0529   6.0406  -9.0265   8.9659   18.587   8.1743   35.725   16.993   76.600   19.652 -40.87521 25.97981 
1 1 1  -39    9   29 o   71.726   14.220   16.598   6.2386   8.2436   9.1536   23.844   8.5254   55.951   21.512   87.502   18.603 -31.55166 28.43985 
1 1 1  -39    9   30 o  112.800   10.890   37.321   6.6067   37.173   9.7997   37.444   8.9452  112.141   16.172  113.459   14.590 -1.318871 21.78088 
1 1 1  -39    9   31 f   65.888   14.156   13.959   6.1377   5.1977   9.2233   20.923   8.2228   50.822   20.896   80.954   19.105 -30.13179 28.31299 
1 1 1  -39    9   32 o   46.315   13.968   2.8520   6.1503   1.5654   9.3974   3.8159   8.1343   45.964   20.058   46.665   19.444 -0.7017365 27.93520 
1 1 1  -39    9   33 o   55.948   13.539   2.4661   6.4363   21.632   9.8674 -11.7274   8.4914   79.724   22.125   32.172   15.612 47.55124 27.07836 
1 1 1  -39    9   34 o   32.219   15.936 -19.5638   10.239 -19.5638   10.239   0.0000   0.0000   32.219   15.936  ?   ?       ?      ? 
1 1 1  -39    9   35 o  132.913   10.219   51.164   7.2718   61.747   10.887   42.641   9.7707  145.609   13.837  120.217   15.041 25.39165 20.43753 
1 1 1  -39    9   36 f   55.015   15.522   8.0087   6.9386   7.8201   10.310   8.1649   9.3807   55.225   22.321   54.805   21.574 0.4197693 31.04323 
1 1 1  -39    9   37 o   63.596   14.457   10.773   6.8784   27.276   10.444  -1.8656   9.1404   86.729   22.194   40.463   18.533 46.26620 28.91483 
1 1 1  -39    9   38 o   46.668   14.903   1.0050   8.2502   5.8449   10.318  -7.5766   13.739   49.963   21.405   43.373   20.742 6.590549 29.80596 
1 1 1  -39    9   39 o   51.920   22.962   4.2477   12.699   0.0000   0.0000   4.2477   12.699  ?   ?    51.920   22.962      ?      ? 
1 1 1  -39    9   40 f   38.593   18.792 -13.3086   12.590   0.0000   0.0000 -13.3086   12.590  ?   ?    38.593   18.792      ?      ? 
1 1 1  -39    9   41 o   34.062   11.907 -16.3074   7.8721 -13.7639   9.9863 -20.4820   12.794   33.015   16.214   35.109   17.443 -2.094463 23.81480 
1 1 1  -39   10    1 o   36.985   12.136  -5.9734   5.8272  -8.6959   8.7941  -3.8423   7.7804   36.156   17.089   37.814   17.236 -1.658413 24.27111 
1 1 1  -39   10    2 f   50.308   14.390   4.3821   6.0277   3.8739   9.2220   4.7613   7.9646   50.810   20.893   49.807   19.792 1.003460 28.77926 
1 1 1  -39   10    3 o   48.986   14.306   2.7630   6.2148   6.1441   9.1644  -0.1158   8.4563   54.105   21.316   43.867   19.087 10.23826 28.61275 
1 1 1  -39   10    4 o  216.236   7.5062  129.761   8.7375  127.770   12.868  131.464   11.902  214.437   11.105  218.035   10.102 -3.597778 15.01233 
1 1 1  -39   10    5 o  117.042   8.9623   37.778   5.5680   41.573   8.8949   35.332   7.1400  121.501   13.548  112.582   11.736 8.918922 17.92463 
1 1 1  -39   10    6 o  197.095   6.4728  105.452   6.7449  114.284   10.887   99.951   8.5926  203.376   9.9065  190.814   8.3335 12.56204 12.94552 
1 1 1  -39   10    7 o   39.759   12.378  -1.0189   5.0783  -0.4808   7.9530  -1.3893   6.5988   42.176   18.427   37.341   16.532 4.835358 24.75600 
1 1 1  -39   10    8 f  110.948   9.3364   34.654   5.5076   34.335   8.5532   34.879   7.1986  110.110   14.375  111.785   11.917 -1.675423 18.67273 
1 1 1  -39   10    9 o  160.523   7.1977   70.678   6.1216   74.522   9.7639   68.188   7.8579  163.753   11.034  157.292   9.2451 6.460403 14.39540 
1 1 1  -39   10   10 f   37.990   12.088  -2.5829   5.1977  -5.4918   8.2678  -0.6819   6.6836   37.482   17.333   38.498   16.855 -1.015842 24.17670 
1 1 1  -39   10   11 o   32.756   10.983  -7.6130   5.1482 -10.8003   8.3115  -5.6289   6.5577   33.200   15.945   32.311   15.108 0.8889961 21.96568 
1 1 1  -39   10   12 o   53.903   13.739   7.6036   5.3170   3.1342   8.5181   10.457   6.8056   48.245   19.982   59.561   18.861 -11.31656 27.47766 
1 1 1  -39   10   13 o  112.423   9.0879   35.076   5.4645   38.890   8.4914   32.380   7.1392  117.380   13.387  107.467   12.294 9.912537 18.17586 
1 1 1  -39   10   14 o  125.283   8.5693   43.963   5.7532   44.196   8.7156   43.783   7.6590  125.289   12.874  125.278   11.314 0.1071167E-01 17.13859 
1 1 1  -39   10   15 o   58.792   16.621   6.6684   8.5916  -6.7568   15.240   12.923   10.402   51.288   23.652   66.296   23.359 -15.00882 33.24234 
1 1 1  -39   10   16 o  114.499   16.472   43.327   9.3231   34.527   16.262   47.635   11.379  100.696   28.566  128.302   16.412 -27.60535 32.94493 
1 1 1  -39   10   17 o   66.048   15.926   13.171   6.7983   14.329   8.7226   11.378   10.851   68.216   21.318   63.880   23.667 4.336369 31.85283 
1 1 1  -39   10   18 o   59.862   14.273   9.3751   5.6091   15.783   8.8121   5.0106   7.2726   71.153   21.274   48.572   19.035 22.58084 28.54687 
1 1 1  -39   10   19 o   32.958   10.987  -7.6538   5.2273 -13.8571   8.1556  -3.3284   6.8101   30.571   14.938   35.345   16.116 -4.773893 21.97452 
1 1 1  -39   10   20 o   74.724   13.118   15.536   5.6956   28.894   9.0000   6.6119   7.3561   97.944   17.654   51.504   19.407 46.44016 26.23536 
1 1 1  -39   10   21 o   49.070   12.866   0.4604   5.4290   14.125   8.5337  -8.8296   7.0365   67.386   21.090   30.754   14.743 36.63217 25.73271 
1 1 1  -39   10   22 f   43.371   13.284   0.4584   5.6599   1.7626   8.8014  -0.4613   7.3907   46.431   19.827   40.312   17.684 6.119232 26.56798 
1 1 1  -39   10   23 o  121.501   11.990   45.580   7.1709   59.632   9.8626   29.820   10.445  145.193   12.571   97.808   20.422 47.38555 23.98038 
1 1 1  -39   10   24 o   59.279   15.201   6.9440   6.7997  -0.7509   8.8200   18.218   10.676   43.394   19.167   75.165   23.600 -31.77016 30.40299 
1 1 1  -39   10   25 o   62.304   14.561   7.2968   6.2056   22.995   10.739  -0.5723   7.6035   83.994   22.991   40.614   17.874 43.37971 29.12159 
1 1 1  -39   10   26 o   91.808   14.164   25.054   6.5211   31.959   11.442   21.732   7.9362   99.669   21.847   83.948   18.033 15.72032 28.32816 
1 1 1  -39   10   27 o  115.018   10.536   38.574   6.4386   38.112   9.9945   38.903   8.4183  113.627   16.278  116.408   13.383 -2.781197 21.07275 
1 1 1  -39   10   28 o  118.748   10.515   41.569   6.6153   37.599   10.053   44.601   8.7855  112.686   16.509  124.810   13.026 -12.12448 21.02970 
1 1 1  -39   10   29 o   52.992   14.043   3.8636   6.0660   15.499   9.4950  -4.1599   7.8849   68.995   22.324   36.989   17.042 32.00594 28.08520 
1 1 1  -39   10   30 o   59.379   15.343   10.773   6.4006   10.347   9.5966   11.114   8.5904   58.974   22.177   59.784   21.210 -0.8104401 30.68637 
1 1 1  -39   10   31 o   73.362   15.203   18.447   6.5639   14.400   9.7988   21.742   8.8406   65.574   22.697   81.149   20.231 -15.57520 30.40513 
1 1 1  -39   10   32 o   91.503   13.815   27.224   6.6609   23.907   10.270   29.632   8.7514   83.864   22.283   99.141   16.336 -15.27662 27.62910 
1 1 1  -39   10   33 o   62.225   23.877   11.758   11.264   11.758   11.264   0.0000   0.0000   62.225   23.877  ?   ?       ?      ? 
1 1 1  -39   10   35 o   37.616   12.490  -7.7653   6.6995 -15.5435   10.069  -1.5864   8.9742   33.658   16.478   41.574   18.775 -7.916309 24.98055 
1 1 1  -39   10   36 o   53.633   15.244   8.5789   6.7607   10.122   9.8390   7.1981   9.3055   55.955   22.073   51.311   21.030 4.644100 30.48755 
1 1 1  -39   10   37 o   54.151   16.313   7.6326   8.1985   4.3146   10.456   12.928   13.209   48.361   21.129   59.942   24.860 -11.58136 32.62610 
1 1 1  -39   10   38 o   52.681   16.582   4.1864   9.5228   3.2883   13.471   5.0833   13.463   51.879   23.251   53.484   23.649 -1.605400 33.16442 
1 1 1  -39   10   39 f   50.522   16.106   1.9405   9.5084   9.2455   13.588  -5.0698   13.311   56.509   24.391   44.536   21.042 11.97231 32.21257 
1 1 1  -39   10   40 o   37.664   13.354 -15.9380   7.8385  -6.7275   17.151 -18.3699   8.8128   47.021   22.664   28.306   14.129 18.71492 26.70713 
1 1 1  -39   11    1 o   66.296   14.588   13.044   6.4505   4.0158   9.7201   20.149   8.6229   51.668   21.368   80.925   19.866 -29.25692 29.17629 
1 1 1  -39   11    2 o   51.970   14.281   6.0560   5.5297   5.0383   9.7584   6.5374   6.7112   53.171   21.634   50.770   18.648 2.401066 28.56192 
1 1 1  -39   11    3 o  127.338   8.7746   46.334   5.7958   42.161   9.3655   48.924   7.3783  121.862   14.223  132.814   10.281 -10.95250 17.54918 
1 1 1  -39   11    4 o   55.846   13.594   8.6549   5.3097   2.6648   8.5937   12.354   6.7530   47.678   19.936   64.014   18.488 -16.33600 27.18867 
1 1 1  -39   11    5 o   40.262   12.568  -1.6692   5.2393   1.5534   8.4356  -3.6931   6.6850   45.815   19.484   34.708   15.880 11.10688 25.13560 
1 1 1  -39   11    6 o   41.760   12.456  -0.1302   5.2541  -7.9006   8.2316   5.2119   6.8253   35.174   16.597   48.346   18.578 -13.17177 24.91177 
1 1 1  -39   11    7 o   34.832   11.357  -4.9162   5.0554  -9.6856   7.9584  -1.6899   6.5456   32.977   15.775   36.687   16.341 -3.710045 22.71322 
1 1 1  -39   11    8 o   52.388   14.019   6.5412   5.2991   7.0910   8.7439   6.2220   6.6619   54.733   21.029   50.043   18.544 4.690033 28.03755 
1 1 1  -39   11    9 o   78.707   13.222   18.567   5.4286   20.288   8.7649   17.496   6.9145   81.094   20.102   76.320   17.180 4.773315 26.44382 
1 1 1  -39   11   10 o   71.371   12.206   16.882   5.5647   1.6647   9.2022   25.654   6.9870   47.535   20.286   95.208   13.581 -47.67314 24.41212 
1 1 1  -39   11   11 o  122.844   9.2934   44.051   5.8667   36.877   9.3956   48.636   7.5108  113.409   15.332  132.280   10.508 -18.87085 18.58690 
1 1 1  -39   11   12 o  117.912   9.2995   37.669   5.7766   46.841   9.5646   32.402   7.2477  128.498   13.775  107.326   12.497 21.17259 18.59890 
1 1 1  -39   11   13 o   99.426   13.416   27.991   7.2079   0.0000   0.0000   27.991   7.2079  ?   ?    99.426   13.416      ?      ? 
1 1 1  -39   11   14 o   41.793   12.932  -0.6993   5.4119   1.8672   8.7707  -2.2774   6.8773   46.767   19.877   36.819   16.549 9.947609 25.86464 
1 1 1  -39   11   15 o   74.861   18.773   15.574   9.0055   25.203   16.166   11.241   10.844   86.179   29.172   63.544   23.637 22.63457 37.54604 
1 1 1  -39   11   16 o   87.465   16.220   26.883   9.2306   5.5563   15.889   37.748   11.341   62.083   26.579  112.847   18.598 -50.76419 32.43947 
1 1 1  -39   11   17 o   52.471   14.009   5.0718   5.7078   12.307   8.8196  -0.1424   7.4873   63.895   21.548   41.047   17.908 22.84804 28.01791 
1 1 1  -39   11   18 o   60.733   14.400   10.768   5.4918   12.577   8.6536   9.5486   7.1061   64.274   21.340   57.191   19.341 7.082951 28.80065 
1 1 1  -39   11   19 o   67.406   14.154   13.538   5.4623   17.505   8.7334   10.989   7.0006   74.489   20.865   60.323   19.132 14.16575 28.30880 
1 1 1  -39   11   20 o   50.437   14.205   4.5223   5.8162   8.6947   9.0785   1.6177   7.5748   57.297   21.565   43.576   18.495 13.72119 28.41000 
1 1 1  -39   11   21 o   90.311   12.710   25.342   5.9381   20.389   9.2164   28.857   7.7645   80.285   21.003  100.336   14.321 -20.05048 25.42072 
1 1 1  -39   11   22 o   54.293   14.589   5.6888   6.1787   13.125   9.5209   0.2782   8.1212   65.558   22.387   43.028   18.714 22.53043 29.17800 
1 1 1  -39   11   23 o   81.276   14.884   21.553   6.9097   28.490   9.4105   13.437   10.178   96.346   18.750   66.205   23.120 30.14114 29.76767 
1 1 1  -39   11   24 o   40.401   12.971  -3.2408   6.2142  -8.4459   10.052  -0.0212   7.9057   38.890   18.347   41.912   18.341 -3.022728 25.94189 
1 1 1  -39   11   25 o  107.707   12.846   35.237   6.8138   35.360   11.822   35.176   8.3381  104.985   21.561  110.428   13.973 -5.442978 25.69290 
1 1 1  -39   11   26 o   43.000   13.337  -0.0788   5.9954  -3.0440   9.1497   2.1522   7.9367   41.292   18.771   44.708   18.951 -3.415722 26.67370 
1 1 1  -39   11   27 o  138.906   9.4812   57.183   6.8441   46.508   10.520   65.019   9.0123  125.926   15.460  151.886   10.981 -25.96004 18.96241 
1 1 1  -39   11   28 o   91.965   13.943   26.950   6.6695   27.120   10.167   26.821   8.8366   91.262   21.046   92.667   18.296 -1.405479 27.88700 
1 1 1  -39   11   29 o   55.746   15.186   8.1593   6.4494   12.353   10.002   5.1754   8.4376   62.236   22.780   49.256   20.088 12.97959 30.37166 
1 1 1  -39   11   30 o   86.474   14.314   24.545   6.5115   25.001   10.036   24.213   8.5568   86.101   21.606   86.847   18.780 -0.7463684 28.62725 
1 1 1  -39   11   31 o   54.388   14.386   3.2807   6.6725   18.197   10.296  -7.5218   8.7617   72.861   23.212   35.915   17.000 36.94537 28.77103 
1 1 1  -39   11   32 o   99.568   18.482   31.134   9.5779   0.0000   0.0000   31.134   9.5779  ?   ?    99.568   18.482      ?      ? 
1 1 1  -39   11   33 o   52.829   13.830   2.8136   6.8698 -14.9619   10.378   16.678   9.1654   34.909   17.012   70.748   21.810 -35.83918 27.66068 
1 1 1  -39   11   34 f   59.419   15.955   11.047   7.0418   10.719   10.671   11.300   9.3721   59.281   23.105   59.558   22.010 -0.2768555 31.91047 
1 1 1  -39   11   35 o   40.755   13.318  -3.4809   6.8813   1.9480   10.364  -7.7608   9.2024   45.974   20.514   35.536   16.989 10.43837 26.63564 
1 1 1  -39   11   36 o   45.602   14.450  -1.2476   8.1685   8.1655   10.376 -16.5878   13.246   53.088   22.027   38.116   18.710 14.97183 28.90055 
1 1 1  -39   11   37 o   84.718   18.563   28.769   9.4736   32.005   13.164   25.293   13.644   90.687   25.693   78.748   26.799 11.93912 37.12574 
1 1 1  -39   11   38 o   46.122   15.078  -2.6458   9.1478   4.9324   12.525 -11.3086   13.392   51.326   22.747   40.919   19.797 10.40724 30.15518 
1 1 1  -39   11   39 o   69.912   16.241   19.017   7.3521   26.415   10.899   12.839   9.9592   81.403   23.481   58.422   22.444 22.98076 32.48173 
1 1 1  -39   12    2 o  111.983   10.436   33.245   5.8387   53.635   9.8195   22.093   7.2619  137.686   13.198   86.280   16.170 51.40656 20.87250 
1 1 1  -39   12    3 o   97.487   13.238   26.891   6.9738   0.0000   0.0000   26.891   6.9738  ?   ?    97.487   13.238      ?      ? 
1 1 1  -39   12    4 o   66.413   13.669   12.182   5.2862   19.937   8.5979   7.4683   6.7028   80.263   19.918   52.562   18.726 27.70126 27.33824 
1 1 1  -39   12    5 o   86.827   12.530   22.528   5.5487   22.130   9.2794   22.749   6.9226   84.331   20.551   89.322   14.342 -4.990837 25.06090 
1 1 1  -39   12    6 o   71.056   14.279   15.361   5.6112   16.725   9.1711   14.545   7.0940   73.120   21.667   68.992   18.604 4.127937 28.55814 
1 1 1  -39   12    7 o  106.830   10.839   33.774   5.7492   30.838   9.5707   35.431   7.1912  101.254   18.159  112.406   11.839 -11.15205 21.67793 
1 1 1  -39   12    8 o   63.259   14.360   11.232   5.5357   16.388   8.9162   7.9984   7.0616   72.451   21.336   54.067   19.225 18.38388 28.71948 
1 1 1  -39   12    9 o   53.646   14.187   7.2061   5.3892   7.8612   8.9227   6.8299   6.7619   56.031   21.311   51.261   18.735 4.769352 28.37495 
1 1 1  -39   12   10 o  126.605   8.9429   45.094   5.8968   45.681   9.7342   44.753   7.4114  126.541   14.236  126.669   10.828 -0.1280441 17.88574 
1 1 1  -39   12   11 o   84.326   12.446   24.840   5.7114   8.4952   9.2997   34.738   7.2371   57.487   21.782  111.165   12.048 -53.67763 24.89203 
1 1 1  -39   12   12 o   39.520   12.486  -2.1412   5.5387  -8.2123   9.2747   1.2241   6.9052   37.505   17.672   41.535   17.645 -4.029930 24.97296 
1 1 1  -39   12   13 o  101.173   11.372   29.831   5.8798   30.856   9.5867   29.213   7.4445  101.011   18.234  101.334   13.595 -0.3229141 22.74486 
1 1 1  -39   12   14 o   99.925   16.154   38.310   7.3984   18.534   17.768   42.458   8.1373   77.156   29.886  122.694   12.274 -45.53788 32.30782 
1 1 1  -39   12   15 o  135.350   14.489   52.957   10.116   65.158   17.688   47.027   12.332  144.738   22.616  125.961   18.118 18.77695 28.97797 
1 1 1  -39   12   16 o   41.748   14.262 -14.9554   9.1369 -17.6171   15.788 -13.6149   11.204   45.219   21.782   38.277   18.416 6.942268 28.52359 
1 1 1  -39   12   17 o   53.030   14.247   6.6909   5.6006   9.2681   8.6545   4.8340   7.3462   57.872   21.188   48.189   19.053 9.683014 28.49492 
1 1 1  -39   12   18 o   94.284   12.292   26.777   6.0335   24.786   9.1588   28.303   8.0196   89.473   19.495   99.095   14.977 -9.622612 24.58332 
1 1 1  -39   12   19 o   63.564   14.623   12.424   5.7956   10.291   9.0110   13.930   7.5687   60.062   21.677   67.065   19.632 -7.002575 29.24500 
1 1 1  -39   12   20 o   76.642   14.190   17.337   6.1134   26.823   9.5834   10.828   7.9384   92.981   19.687   60.303   20.442 32.67753 28.38076 
1 1 1  -39   12   21 o   27.276   9.6502 -20.3136   5.7588 -19.7828   8.9108 -20.6943   7.5465   29.301   14.557   25.252   12.673 4.048067 19.30038 
1 1 1  -39   12   22 o   65.484   15.868   13.401   6.9192   16.278   9.2153   9.6824   10.476   71.155   21.859   59.814   23.009 11.34098 31.73678 
1 1 1  -39   12   23 o   56.828   12.730   5.9819   6.1850 -12.7840   9.5098   19.739   8.1424   34.499   16.689   79.156   19.227 -44.65775 25.45959 
1 1 1  -39   12   24 o  210.785   8.0973  119.772   8.5575  141.577   15.791  110.706   10.182  222.256   13.149  199.314   9.4540 22.94144 16.19460 
1 1 1  -39   12   25 o   52.860   14.020   5.7773   6.3303  -5.7691   10.087   13.279   8.1306   40.905   18.996   64.816   20.625 -23.91082 28.04005 
1 1 1  -39   12   26 o   70.333   15.086   16.463   6.4966   11.020   10.002   20.435   8.5447   60.883   22.690   79.783   19.889 -18.90030 30.17296 
1 1 1  -39   12   27 o   82.031   14.146   20.289   6.5552   35.341   10.442   10.497   8.4214  105.632   18.992   58.429   20.971 47.20348 28.29236 
1 1 1  -39   12   28 o   56.387   15.071   9.0768   6.6254   3.3046   10.246   13.225   8.6856   49.358   21.243   63.416   21.383 -14.05714 30.14122 
1 1 1  -39   12   29 o  141.792   9.5164   57.059   7.1817   68.133   11.430   49.836   9.2313  152.537   13.867  131.048   13.036 21.48921 19.03278 
1 1 1  -39   12   30 o   60.422   14.728   9.7372   7.2733  -6.2804   11.569   20.207   9.3530   43.055   20.111   77.788   21.523 -34.73299 29.45650 
1 1 1  -39   12   32 o   33.154   11.510 -17.1644   7.1809 -28.0546   11.809 -10.7742   9.0456   32.075   16.062   34.233   16.489 -2.157642 23.01918 
1 1 1  -39   12   33 o   44.134   13.953   0.1391   6.6943   2.2301   10.497  -1.2944   8.6912   47.575   20.967   40.692   18.417 6.883385 27.90686 
1 1 1  -39   12   34 o   49.616   14.911   4.7657   7.0382   11.276   10.848   0.0330   9.2491   57.180   22.971   42.051   19.019 15.12899 29.82266 
1 1 1  -39   12   35 o   73.044   17.730   20.883   8.4322   17.939   11.308   24.572   12.656   68.233   24.320   77.854   25.805 -9.621132 35.45960 
1 1 1  -39   12   36 o   62.877   17.691   13.767   8.9978   17.194   13.413   10.964   12.132   67.007   25.963   58.747   24.038 8.259666 35.38214 
1 1 1  -39   12   37 o   65.941   18.033   16.950   9.7360   26.261   13.776   7.6577   13.762   77.366   26.905   54.517   24.017 22.84919 36.06524 
1 1 1  -39   12   38 o   48.346   14.651   2.8887   7.2895   13.409   10.858  -5.7431   9.8354   59.062   23.223   37.630   17.869 21.43208 29.30248 
1 1 1  -39   13    1 o   53.812   18.774   8.1496   6.7105   0.0000   0.0000   8.1496   6.7105  ?   ?    53.812   18.774      ?      ? 
1 1 1  -39   13    2 o   43.290   13.054  -0.0707   5.2904   5.4503   8.7856  -3.2114   6.6264   51.699   20.707   34.881   15.902 16.81808 26.10819 
1 1 1  -39   13    3 o   42.945   12.848   0.8994   5.4296  -6.5427   9.1260   4.9773   6.7553   38.440   17.923   47.450   18.414 -9.010384 25.69690 
1 1 1  -39   13    4 o   63.835   13.730   12.799   5.5500   5.9498   8.8835   17.183   7.1079   52.650   20.909   75.019   17.802 -22.36938 27.46054 
1 1 1  -39   13    5 o   59.902   14.602   9.4956   5.5704   14.748   9.4610   6.7088   6.8914   68.771   22.287   51.033   18.871 17.73861 29.20303 
1 1 1  -39   13    6 o   43.795   13.090  -1.0016   5.5027   7.1800   8.8361  -6.1848   7.0329   54.555   21.091   33.036   15.511 21.51818 26.18020 
1 1 1  -39   13    7 o  103.092   10.932   29.765   5.9764   35.971   9.6565   25.911   7.6087  111.262   16.061   94.922   14.834 16.33927 21.86356 
1 1 1  -39   13    8 o  118.109   9.7209   39.282   6.0325   41.952   9.8627   37.686   7.6252  120.618   15.132  115.600   12.207 5.018272 19.44183 
1 1 1  -39   13    9 o   92.039   12.722   27.061   5.9259   19.424   9.5077   31.912   7.5779   78.104   21.733  105.974   13.233 -27.87054 25.44448 
1 1 1  -39   13   10 f   95.996   11.557   26.004   5.7251   32.181   9.5964   22.590   7.1336  104.760   16.952   87.231   15.712 17.52866 23.11345 
1 1 1  -39   13   11 o   97.190   12.325   29.156   6.0173   24.454   9.7004   32.098   7.6718   88.178   20.711  106.202   13.368 -18.02448 24.65053 
1 1 1  -39   13   12 o   48.345   14.153   3.3537   5.8445   5.1353   9.6792   2.3314   7.3320   52.605   21.491   44.086   18.422 8.519150 28.30631 
1 1 1  -39   13   13 o   76.579   13.740   19.620   6.2556   8.5272   10.414   25.882   7.8246   58.542   22.823   94.616   15.304 -36.07396 27.47910 
1 1 1  -39   13   14 o   60.288   17.800   6.9114   9.6105  -1.2270   17.461   10.448   11.511   58.042   26.202   62.534   24.101 -4.491821 35.60077 
1 1 1  -39   13   15 o   91.178   16.622   29.842   10.172   3.6712   17.309   43.649   12.572   61.742   27.075  120.614   19.290 -58.87148 33.24355 
1 1 1  -39   13   16 o  106.278   11.018   32.225   6.1560   34.949   10.076   30.603   7.7761  109.074   17.095  103.482   13.906 5.592712 22.03668 
1 1 1  -39   13   17 f   88.371   13.548   24.439   6.2979   20.764   9.8966   26.941   8.1644   80.420   22.094   96.323   15.686 -15.90271 27.09607 
1 1 1  -39   13   18 o   75.951   14.563   18.108   6.0344   19.114   9.5917   17.450   7.7633   77.094   21.962   74.807   19.130 2.287254 29.12533 
1 1 1  -39   13   19 o  108.140   10.769   32.953   6.1935   41.082   9.8377   27.615   7.9716  118.795   15.325   97.486   15.133 21.30965 21.53742 
1 1 1  -39   13   20 o   48.785   20.670   2.9746   9.4356   2.9746   9.4356   0.0000   0.0000   48.785   20.670  ?   ?       ?      ? 
1 1 1  -39   13   21 o  122.886   11.366   44.209   7.5136   38.987   10.225   50.338   11.078  114.783   16.485  130.990   15.650 -16.20707 22.73110 
1 1 1  -39   13   22 o   54.420   15.388   5.5584   7.1933  -0.5551   10.050   11.980   10.300   45.761   20.323   63.079   23.112 -17.31869 30.77687 
1 1 1  -39   13   23 o   99.137   14.163   31.133   6.9158   29.752   12.316   31.768   8.3579   93.875   24.142  104.400   14.815 -10.52448 28.32576 
1 1 1  -39   13   24 o   42.097   13.519  -2.6647   6.6828 -10.9527   11.941   1.1155   8.0641   40.864   19.485   43.331   18.746 -2.466972 27.03850 
1 1 1  -39   13   25 f   73.981   15.476   17.597   6.5635   23.531   10.494   13.784   8.4119   83.031   22.726   64.932   21.012 18.09940 30.95154 
1 1 1  -39   13   26 o  119.153   11.165   42.518   6.9936   43.194   11.243   42.091   8.9319  118.506   17.557  119.800   13.797 -1.294373 22.32986 
1 1 1  -39   13   27 o  115.443   11.427   39.883   6.9701   41.396   11.120   38.903   8.9456  116.019   17.737  114.866   14.412 1.152374 22.85402 
1 1 1  -39   13   28 o   46.938   13.893   0.5867   6.8344 -13.1030   10.901   9.4514   8.7724   37.090   17.924   56.786   21.233 -19.69605 27.78666 
1 1 1  -39   13   29 o  129.727   13.407   48.807   9.3984   0.0000   0.0000   48.807   9.3984  ?   ?   129.727   13.407      ?      ? 
1 1 1  -39   13   30 o   58.494   15.437   5.2495   7.1622   21.033   11.826  -3.8941   9.0008   77.318   24.902   39.670   18.252 37.64775 30.87479 
1 1 1  -39   13   31 o   48.256   14.695   3.1838   6.9417   0.1450   11.163   5.0999   8.8640   47.172   21.152   49.340   20.406 -2.167473 29.39018 
1 1 1  -39   13   32 o  142.362   10.001   59.831   7.5735   72.777   12.073   51.431   9.7252  154.309   14.479  130.414   13.800 23.89507 20.00181 
1 1 1  -39   13   33 o   51.914   15.190   7.7753   6.9319   7.7236   10.354   7.8173   9.3319   52.231   21.864   51.597   21.093 0.6343918 30.38057 
1 1 1  -39   13   34 o   54.653   16.395   5.2344   9.1453  -6.0878   13.236   15.577   12.650   44.424   20.987   64.883   25.193 -20.45843 32.78953 
1 1 1  -39   13   35 o   69.264   18.213   18.961   9.3300   13.973   13.438   23.604   12.964   62.407   25.389   76.122   26.121 -13.71540 36.42687 
1 1 1  -39   13   36 o   59.547   17.344   12.980   9.2234   7.8018   13.201   17.919   12.893   53.751   23.606   65.344   25.416 -11.59327 34.68747 
1 1 1  -39   14    1 o  154.823   8.1515   68.414   6.5998   62.327   10.463   72.436   8.5053  148.172   13.068  161.475   9.7475 -13.30341 16.30299 
1 1 1  -39   14    2 o  121.407   9.6707   41.653   6.1997   43.864   9.9703   40.260   7.9163  123.384   14.954  119.429   12.267 3.954758 19.34144 
1 1 1  -39   14    3 f   74.687   13.942   18.258   5.8315   12.398   9.5502   21.742   7.3637   64.264   22.398   85.109   16.608 -20.84505 27.88367 
1 1 1  -39   14    4 o   43.672   13.353  -0.9393   5.6272   5.3546   9.5086  -4.3318   6.9809   52.660   21.383   34.683   15.999 17.97713 26.70575 
1 1 1  -39   14    5 o   32.882   11.153 -11.5630   5.3850  -3.3584   8.8281 -16.4246   6.7956   40.622   18.455   25.143   12.527 15.47906 22.30511 
1 1 1  -39   14    6 f   55.476   13.835   8.4907   5.5736   1.6472   9.1300   12.556   7.0371   46.972   20.130   63.979   18.985 -17.00640 27.67002 
1 1 1  -39   14    7 o  168.278   7.6783   80.471   6.7529   73.460   10.734   85.063   8.6873  161.297   12.316  175.259   9.1731 -13.96207 15.35670 
1 1 1  -39   14    8 o   39.602   12.609  -2.4918   5.6953  -7.4046   9.4267   0.3324   7.1473   38.436   18.017   40.768   17.643 -2.331661 25.21718 
1 1 1  -39   14    9 o   42.729   13.198  -0.2586   5.5759   2.0131   9.1796  -1.5868   7.0191   47.539   20.273   37.919   16.904 9.620098 26.39597 
1 1 1  -39   14   10 f   81.517   13.941   19.732   5.9578   25.874   9.7716   16.097   7.5165   90.956   20.386   72.079   19.021 18.87722 27.88182 
1 1 1  -39   14   11 o   51.074   13.856   5.3477   5.9205  -3.3725   9.6745   10.569   7.4860   42.587   19.337   59.560   19.852 -16.97303 27.71288 
1 1 1  -39   14   12 o   50.065   14.258   4.2820   5.8103   7.9081   9.4307   2.0635   7.3767   56.371   21.790   43.759   18.394 12.61140 28.51574 
1 1 1  -39   14   13 o   51.403   16.628  -3.1495   9.8493  -9.7365   18.075  -0.3678   11.746   53.139   24.922   49.666   22.019 3.473244 33.25587 
1 1 1  -39   14   14 o   58.221   17.685   4.6102   10.010  -6.1171   18.449   9.0856   11.916   55.715   25.809   60.728   24.185 -5.013062 35.36996 
1 1 1  -39   14   15 o   49.977   14.655   0.3782   7.5884   10.782   9.7719 -15.4257   12.044   61.099   22.493   38.855   18.793 22.24411 29.31023 
1 1 1  -39   14   16 f   34.135   11.653 -14.8046   6.1107  -3.1075   9.9020 -21.9995   7.7659   43.021   19.545   25.249   12.696 17.77229 23.30690 
1 1 1  -39   14   17 o   99.419   12.962   31.492   6.4448   25.261   10.452   35.315   8.1864   88.036   22.025  110.801   13.673 -22.76450 25.92388 
1 1 1  -39   14   18 o   57.189   12.895   7.3309   6.1097 -10.0290   9.6293   19.029   7.9045   36.602   17.465   77.775   18.976 -41.17372 25.79000 
1 1 1  -39   14   19 o  124.033   10.050   43.996   6.5991   47.142   10.566   41.985   8.4496  126.904   15.408  121.162   12.906 5.742126 20.09908 
1 1 1  -39   14   20 o   62.463   16.510   11.439   7.5711   13.791   10.542   8.9347   10.880   66.158   23.493   58.767   23.202 7.391376 33.01938 
1 1 1  -39   14   21 o   63.107   16.565   11.938   7.6540   15.054   10.576   8.5113   11.091   68.072   23.580   58.143   23.273 9.928444 33.13065 
1 1 1  -39   14   22 o  125.773   11.970   43.654   7.6797   61.104   13.974   36.104   9.1922  141.120   18.325  110.427   15.405 30.69278 23.94001 
1 1 1  -39   14   23 o   67.749   14.429   16.254   6.8910   0.1090   12.353   23.547   8.3028   49.487   22.216   86.010   18.419 -36.52351 28.85878 
1 1 1  -39   14   24 o   41.223   13.257  -2.2761   6.4427  -5.0484   10.149  -0.4045   8.3386   40.896   19.013   41.549   18.480 -0.6525726 26.51383 
1 1 1  -39   14   25 o   48.225   14.516   3.4486   6.5548   1.9813   10.550   4.3711   8.3652   48.507   21.208   47.942   19.825 0.5648842 29.03109 
1 1 1  -39   14   26 o   58.608   15.167   10.271   6.6979   3.1676   10.882   14.603   8.4985   50.537   21.820   66.680   21.072 -16.14272 30.33435 
1 1 1  -39   14   27 o  165.586   9.0971   78.801   7.9350   80.381   12.739   77.799   10.143  165.775   14.221  165.396   11.349 0.3782043 18.19422 
1 1 1  -39   14   28 o   45.663   14.089   0.4104   6.8564  -7.3261   11.057   5.2442   8.7398   41.293   19.407   50.033   20.429 -8.739067 28.17723 
1 1 1  -39   14   29 o   62.586   23.906   12.555   11.259   12.555   11.259   0.0000   0.0000   62.586   23.906  ?   ?       ?      ? 
1 1 1  -39   14   30 o   46.786   14.523   2.7282   6.8878   3.7725   11.135   2.0810   8.7659   49.423   21.693   44.149   19.316 5.273949 29.04673 
1 1 1  -39   14   31 o   39.215   13.076  -4.9153   7.0107  -3.4377   11.157  -5.8796   9.0123   42.108   19.695   36.323   17.207 5.784576 26.15247 
1 1 1  -39   14   32 o   45.797   14.756  -1.8716   8.1181  -7.8706   10.852   5.7523   12.233   39.035   18.602   52.559   22.912 -13.52366 29.51275 
1 1 1  -39   14   33 o   52.754   15.962   4.6436   8.7707  -6.3559   13.458   12.764   11.563   44.593   21.096   60.915   23.961 -16.32192 31.92471 
1 1 1  -39   14   34 o   45.115   14.907  -3.1608   9.0355   1.2649   13.033  -7.2568   12.538   48.457   22.171   41.774   19.932 6.682987 29.81362 
1 1 1  -39   14   35 o   75.307   15.632   17.408   7.6386   42.027   13.082   4.6719   9.4091  103.821   23.824   46.793   20.247 57.02887 31.26494 
1 1 1  -39   15    1 o   63.470   14.448   11.137   5.7348   18.760   9.2608   6.3957   7.3037   76.292   21.527   50.648   19.276 25.64351 28.89608 
1 1 1  -39   15    2 o   59.700   14.584   10.516   5.5981   11.075   9.1549   10.183   7.0749   61.176   21.875   58.223   19.294 2.953201 29.16780 
1 1 1  -39   15    3 o   40.122   12.443  -2.2517   5.6797 -12.9115   9.3724   3.9348   7.1400   34.191   16.546   46.054   18.589 -11.86332 24.88634 
1 1 1  -39   15    4 o  146.701   8.6818   61.318   6.6214   59.622   10.850   62.325   8.3585  144.092   13.934  149.309   10.360 -5.217102 17.36351 
1 1 1  -39   15    5 o   43.366   13.350  -0.4048   5.5760   4.0673   9.6126  -2.6728   6.8454   50.742   21.139   35.989   16.312 14.75308 26.70091 
1 1 1  -39   15    6 o   46.936   13.657   1.3539   5.5947   9.0213   9.3344  -2.9446   6.9891   57.787   21.840   36.084   16.404 21.70364 27.31465 
1 1 1  -39   15    7 o   49.786   13.620   4.3969   5.9630  -6.4170   9.8149   10.724   7.5074   39.972   18.621   59.600   19.881 -19.62760 27.23955 
1 1 1  -39   15    8 o  167.385   7.8108   77.331   6.9199   85.694   11.168   72.119   8.8161  174.097   11.871  160.672   10.154 13.42476 15.62166 
1 1 1  -39   15    9 o   57.342   14.778   9.2996   6.1862   3.8433   10.187   12.487   7.7861   51.290   21.591   63.394   20.184 -12.10397 29.55622 
1 1 1  -39   15   10 o  115.710   11.389   41.158   6.5067   33.857   10.495   45.718   8.2932  104.435   19.308  126.984   12.086 -22.54861 22.77834 
1 1 1  -39   15   11 o   72.320   14.786   17.049   6.0961   14.587   9.9514   18.529   7.7126   67.682   22.888   76.957   18.725 -9.274902 29.57166 
1 1 1  -39   15   12 o   76.670   18.334   20.162   10.784  -2.2180   19.019   30.766   13.091   58.309   26.717   95.031   25.115 -36.72285 36.66828 
1 1 1  -39   15   13 o   63.068   18.898   8.4074   10.533   7.9527   19.260   8.6014   12.581   65.951   28.749   60.186   24.535 5.764729 37.79519 
1 1 1  -39   15   14 o   55.448   16.303   5.2687   7.8481   2.6350   9.9122   9.6937   12.848   49.115   21.009   61.781   24.936 -12.66672 32.60666 
1 1 1  -39   15   15 o   74.425   15.193   16.952   6.4431   24.144   10.332   12.375   8.2420   85.863   22.129   62.987   20.822 22.87560 30.38530 
1 1 1  -39   15   16 o   78.039   15.393   19.770   6.6306   20.353   10.650   19.401   8.4728   78.119   23.396   77.959   20.011 0.1596146 30.78644 
1 1 1  -39   15   17 o   42.547   18.722  -0.1117   8.3388   0.0000   0.0000  -0.1117   8.3388  ?   ?    42.547   18.722      ?      ? 
1 1 1  -39   15   18 o   57.109   14.605   9.2951   6.3617   0.4937   10.612   14.232   7.9481   47.626   21.031   66.591   20.271 -18.96490 29.20980 
1 1 1  -39   15   19 o   75.876   15.529   18.508   6.6201   23.799   10.699   15.226   8.4267   83.597   22.975   68.154   20.897 15.44233 31.05716 
1 1 1  -39   15   20 o   64.208   15.904   12.801   7.2964   19.881   10.289   5.6396   10.348   75.883   23.056   52.533   21.913 23.34986 31.80851 
1 1 1  -39   15   21 o   46.168   14.193  -0.3782   6.6055   7.9330   10.685  -5.5196   8.4038   55.769   22.659   36.566   17.100 19.20350 28.38678 
1 1 1  -39   15   22 o   64.520   15.447   14.276   7.0146   3.9550   12.705   18.802   8.4131   53.590   23.356   75.450   20.224 -21.85949 30.89464 
1 1 1  -39   15   23 o   55.901   15.425   7.8481   6.6959   12.488   10.520   4.6883   8.6817   62.805   23.297   48.997   20.224 13.80724 30.85028 
1 1 1  -39   15   24 o   39.774   12.644  -7.6639   6.6781 -25.6528   10.408   4.9240   8.7065   30.044   15.050   49.503   20.322 -19.45969 25.28757 
1 1 1  -39   15   25 o  116.772   12.642   44.035   7.2262   32.928   11.393   51.511   9.3467   99.946   21.717  133.598   12.947 -33.65206 25.28315 
1 1 1  -39   15   26 o   73.484   15.696   16.103   7.2997   29.764   11.511   6.9138   9.4406   93.603   22.938   53.366   21.433 40.23717 31.39292 
1 1 1  -39   15   27 o   39.693   13.075  -5.5553   6.6108  -1.0586   10.657  -8.3683   8.4286   45.195   20.430   34.192   16.322 11.00328 26.14937 
1 1 1  -39   15   28 o   60.130   16.185   12.043   7.1166   15.996   11.542   9.6182   9.0395   65.269   24.364   54.991   21.312 10.27781 32.37006 
1 1 1  -39   15   29 o   42.767   13.602  -0.0014   6.8326  -7.1195   11.009   4.4577   8.7138   39.251   18.714   46.283   19.746 -7.032837 27.20483 
1 1 1  -39   15   30 o   83.614   16.193   25.755   7.4750   26.939   11.472   24.880   9.8543   84.021   24.047   83.207   21.694 0.8143158 32.38647 
1 1 1  -39   15   31 f   46.729   15.294  -2.2013   9.1266  -1.4592   13.145  -2.8919   12.682   47.597   21.956   45.860   21.298 1.736965 30.58877 
1 1 1  -39   15   32 o   47.118   15.372  -0.7365   9.0941   1.4088   13.332  -2.6036   12.437   49.228   22.486   45.008   20.965 4.220749 30.74340 
1 1 1  -39   15   33 o   58.677   15.960   6.5816   9.1337 -14.9955   13.043   27.342   12.794   37.956   18.618   79.399   25.928 -41.44293 31.92025 
1 1 1  -39   16    1 o  111.590   11.371   38.148   6.2177   33.178   10.377   40.932   7.7660  103.094   19.338  120.085   11.968 -16.99072 22.74225 
1 1 1  -39   16    2 o   48.938   14.241   4.1899   5.9434   5.1323   9.5077   3.5854   7.6145   51.698   21.231   46.179   18.986 5.519646 28.48201 
1 1 1  -39   16    3 o   49.088   13.821   4.2291   5.9803  -3.4815   9.4720   9.3402   7.7118   41.599   18.983   56.577   20.093 -14.97886 27.64183 
1 1 1  -39   16    4 o   57.096   14.891   8.6758   5.9732   12.375   9.5767   6.3206   7.6419   63.398   22.405   50.794   19.620 12.60384 29.78127 
1 1 1  -39   16    5 o   51.964   14.024   6.5278   5.8500  -0.5752   9.7737   10.493   7.3025   45.183   20.056   58.744   19.608 -13.56125 28.04814 
1 1 1  -39   16    6 o   42.612   13.376  -0.7080   5.9505  -0.0146   9.7768  -1.1161   7.4996   45.794   20.206   39.430   17.532 6.363708 26.75132 
1 1 1  -39   16    7 o   78.785   14.388   19.041   5.9953   23.717   10.001   16.418   7.4905   85.381   21.647   72.189   18.959 13.19175 28.77506 
1 1 1  -39   16    8 o  111.441   10.995   36.177   6.4165   37.399   10.480   35.445   8.1154  111.872   17.337  111.011   13.529 0.8618469 21.99048 
1 1 1  -39   16    9 o   50.988   14.368   5.5494   6.1412   0.5235   9.9297   8.6628   7.8152   46.664   20.484   55.311   20.152 -8.647320 28.73509 
1 1 1  -39   16   10 o   77.322   14.936   18.775   6.2872   22.653   10.193   16.394   7.9875   82.955   22.271   71.689   19.910 11.26562 29.87300 
1 1 1  -39   16   11 o   74.113   17.697   18.562   7.6744   13.050   18.770   19.669   8.4094   69.710   29.324   78.516   19.819 -8.805374 35.39322 
1 1 1  -39   16   12 o   71.180   19.891   11.941   10.760   29.189   19.548   4.4437   12.888   86.876   31.839   55.483   23.851 31.39362 39.78141 
1 1 1  -39   16   13 o   50.980   16.814  -6.5307   10.606   0.0939   18.286  -9.8896   13.021   58.286   26.511   43.675   20.687 14.61166 33.62752 
1 1 1  -39   16   14 o   59.901   15.447   10.928   6.5045   9.4407   10.025   12.010   8.5480   58.092   22.463   61.711   21.208 -3.619652 30.89320 
1 1 1  -39   16   15 o   69.004   15.610   14.812   6.7366   22.656   10.492   9.3102   8.7873   81.436   22.890   56.572   21.231 24.86378 31.22060 
1 1 1  -39   16   16 o   67.304   14.802   15.422   6.6235   6.0831   10.563   21.472   8.5027   53.373   22.191   81.235   19.596 -27.86172 29.60501 
1 1 1  -39   16   17 o   44.105   13.835   0.0949   6.5847  -3.6023   10.567   2.4415   8.4189   42.975   19.774   45.234   19.356 -2.259647 27.67042 
1 1 1  -39   16   18 o   67.600   15.805   15.569   6.7800   13.202   10.422   17.305   8.9271   63.561   23.255   71.640   21.411 -8.079597 31.61063 
1 1 1  -39   16   19 o   57.588   15.659   7.6280   7.6476  -2.3175   11.021   16.865   10.621   45.080   20.534   70.095   23.646 -25.01456 31.31744 
1 1 1  -39   16   20 o   92.153   15.101   27.305   7.2968   33.949   11.521   22.855   9.4289  101.227   21.713   83.080   20.994 18.14697 30.20287 
1 1 1  -39   16   21 o   47.872   14.531   2.0493   7.0634  -8.4977   12.618   6.8624   8.5240   43.503   20.533   52.242   20.565 -8.738201 29.06103 
1 1 1  -39   16   22 o   86.485   23.234   25.528   11.089   25.528   11.089   0.0000   0.0000   86.485   23.234  ?   ?       ?      ? 
1 1 1  -39   16   23 o   44.489   14.063  -0.6332   6.8794  -3.7545   11.086   1.3217   8.7731   44.183   20.301   44.796   19.466 -0.6123161 28.12606 
1 1 1  -39   16   24 o   45.143   13.749  -5.1689   6.7435   10.955   10.568 -16.2443   8.7585   60.083   23.110   30.202   14.901 29.88095 27.49774 
1 1 1  -39   16   25 o   39.063   12.750  -5.1767   6.6534 -14.8957   10.483   1.3787   8.6096   34.545   16.892   43.581   19.103 -9.036152 25.50047 
1 1 1  -39   16   26 o   52.185   15.305   6.7781   6.9449   12.151   11.233   3.4529   8.8361   58.899   23.473   45.470   19.648 13.42835 30.61090 
1 1 1  -39   16   27 o   50.631   14.406   6.5849   6.7297  -3.1614   10.854   12.672   8.5777   41.881   19.534   59.382   21.180 -17.50085 28.81292 
1 1 1  -39   16   28 o   46.693   14.512   1.7677   6.9907   7.0460   10.996  -1.8127   9.0564   52.917   22.362   40.469   18.504 12.44843 29.02476 
1 1 1  -39   16   29 o   52.032   15.767   4.7353   8.2938   11.318   11.454  -2.5203   12.025   58.924   23.628   45.139   20.884 13.78518 31.53490 
1 1 1  -39   16   30 o   46.610   14.917  -4.0953   8.9776 -20.6554   13.149   10.367   12.288   36.235   17.946   56.985   23.834 -20.75041 29.83468 
1 1 1  -39   16   31 o  100.798   17.764   41.070   9.8122   51.036   14.311   32.230   13.479  115.396   23.743   86.200   26.429 29.19688 35.52770 
1 1 1  -39   17    1 o   42.722   13.200   0.4822   5.8943  -3.9484   9.2641   3.4957   7.6402   40.053   18.460   45.391   18.873 -5.338333 26.40002 
1 1 1  -39   17    2 o   60.436   13.841   11.195   5.9489   1.7823   9.0648   18.315   7.8842   45.739   19.832   75.133   19.313 -29.39438 27.68212 
1 1 1  -39   17    3 o   67.130   13.791   14.856   6.0382   4.9800   9.1661   22.427   8.0256   50.114   20.740   84.147   18.181 -34.03236 27.58104 
1 1 1  -39   17    4 o   50.291   14.386   5.3430   5.9149   7.8450   9.5996   3.8118   7.5098   54.855   21.751   45.726   18.834 9.128986 28.77204 
1 1 1  -39   17    5 o   53.875   14.549   5.4963   6.1708   15.092   9.9314  -0.5381   7.8756   67.208   22.864   40.542   17.999 26.66536 29.09892 
1 1 1  -39   17    6 f   42.460   13.363  -0.3751   5.9603   0.2604   9.8906  -0.7376   7.4689   45.581   20.206   39.339   17.493 6.242416 26.72681 
1 1 1  -39   17    7 o   37.502   12.374 -12.3720   6.1258   3.8297   10.137 -21.6930   7.6885   50.045   21.322   24.960   12.562 25.08545 24.74729 
1 1 1  -39   17    8 o   79.886   15.147   22.042   6.6845   18.195   11.013   24.285   8.4109   72.334   24.077   87.438   18.385 -15.10391 30.29360 
1 1 1  -39   17    9 o  113.127   12.485   41.051   7.0295   32.616   10.984   46.901   9.1480   99.377   21.107  126.878   13.343 -27.50085 24.97079 
1 1 1  -39   17   10 o   49.947   16.793  -9.2864   7.8351   13.545   20.859 -13.0368   8.4542   68.658   29.924   31.237   15.252 37.42080 33.58695 
1 1 1  -39   17   11 o   85.494   21.206   28.720   11.700   32.590   20.323   26.802   14.309   86.975   32.357   84.012   27.419 2.962509 42.41231 
1 1 1  -39   17   12 f   47.854   16.054  -9.8100   11.314 -26.2613   19.908  -1.9610   13.751   46.011   22.655   49.696   22.751 -3.684868 32.10713 
1 1 1  -39   17   13 o   39.386   12.856  -5.3407   6.6559 -13.1176   10.247   0.3352   8.7541   35.477   17.201   43.294   19.110 -7.816544 25.71129 
1 1 1  -39   17   14 o   57.459   15.270   7.0758   6.9354   18.016   10.759  -0.7026   9.0717   72.065   23.788   42.854   19.152 29.21127 30.53977 
1 1 1  -39   17   15 o   49.522   14.822   3.9783   6.8342   1.3536   10.953   5.6513   8.7451   48.570   21.411   50.474   20.502 -1.904610 29.64403 
1 1 1  -39   17   16 o   97.720   13.910   33.356   7.0640   18.528   11.032   43.661   9.1964   73.204   24.085  122.236   13.923 -49.03218 27.81964 
1 1 1  -39   17   17 o   74.111   15.249   19.076   6.9103   11.131   10.925   24.374   8.9215   61.090   23.498   87.133   19.442 -26.04230 30.49834 
1 1 1  -39   17   18 o  142.406   11.836   60.285   9.0193   50.091   12.107   72.995   13.520  128.412   17.448  156.400   15.997 -27.98798 23.67163 
1 1 1  -39   17   19 o   78.091   16.763   19.942   8.5472   8.3323   11.768   32.905   12.435   58.031   23.701   98.150   23.712 -40.11947 33.52586 
1 1 1  -39   17   20 o   55.547   23.878   5.2725   12.917   5.2725   12.917   0.0000   0.0000   55.547   23.878  ?   ?       ?      ? 
1 1 1  -39   17   21 o   97.311   15.191   33.625   7.5526   25.180   13.248   37.692   9.1929   82.229   26.344  112.394   15.136 -30.16514 30.38276 
1 1 1  -39   17   22 o   34.862   11.882 -10.6058   6.7089 -15.7705   10.447  -6.9814   8.7518   33.990   16.671   35.734   16.936 -1.743950 23.76448 
1 1 1  -39   17   23 o   63.901   13.880   12.452   6.9846  -4.6497   10.323   26.892   9.4855   40.126   18.824   87.675   20.404 -47.54980 27.76099 
1 1 1  -39   17   24 o   51.079   15.063   7.0397   6.7538   9.1331   10.892   5.7319   8.6087   54.269   22.546   47.889   19.982 6.380035 30.12681 
1 1 1  -39   17   25 o   52.904   15.430   7.5323   7.0086   10.775   11.150   5.4142   9.0111   57.351   23.201   48.456   20.347 8.895451 30.85948 
1 1 1  -39   17   26 o   44.231   14.031  -4.1448   7.0230   9.1593   11.497 -12.0642   8.8702   56.165   23.235   32.296   15.736 23.86946 28.06239 
1 1 1  -39   17   27 o   54.560   16.141   7.1564   8.2598   0.9073   11.580   13.628   11.785   47.204   21.321   61.917   24.240 -14.71239 32.28255 
1 1 1  -39   17   28 o   75.119   17.360   19.472   9.2737   41.239   14.619   4.8153   11.996   99.851   26.612   50.387   22.299 49.46400 34.71996 
1 1 1  -39   17   29 o   44.424   14.757  -3.6569   8.9304   3.2815   13.595  -8.9234   11.844   49.740   22.715   39.108   18.846 10.63229 29.51476 
1 1 1  -39   18    1 o   59.193   14.402   8.1600   6.3990   19.960   9.6309  -1.1662   8.5621   76.967   22.035   41.419   18.552 35.54838 28.80457 
1 1 1  -39   18    2 o   77.688   14.125   18.752   6.5351   31.911   9.8536   8.4186   8.7318  100.407   18.853   54.969   21.040 45.43866 28.25088 
1 1 1  -39   18    3 o   44.640   13.725   0.8320   6.1921   4.0971   9.2499  -1.8193   8.3353   49.105   20.617   40.175   18.123 8.929642 27.44995 
1 1 1  -39   18    4 o   40.199   13.100  -4.3796   6.4622  -1.1527   10.138  -6.5883   8.3870   44.636   20.075   35.762   16.837 8.874172 26.20038 
1 1 1  -39   18    5 o   98.052   13.412   30.359   6.8063   32.122   10.317   29.001   9.0570   99.972   19.798   96.131   18.100 3.841187 26.82445 
1 1 1  -39   18    6 o   71.175   15.423   15.500   6.7468   25.564   10.656   8.7669   8.7164   86.822   22.522   55.528   21.076 31.29451 30.84546 
1 1 1  -39   18    7 o   60.616   21.728   11.516   9.0382   0.0000   0.0000   11.516   9.0382  ?   ?    60.616   21.728      ?      ? 
1 1 1  -39   18    8 o   52.240   15.342   4.9700   6.9967   8.7898   11.200   2.5254   8.9602   57.890   23.311   46.590   19.953 11.29963 30.68462 
1 1 1  -39   18    9 o   55.216   15.315   5.3615   8.5906 -46.7342   21.182   15.618   9.3983   41.975   21.088   68.457   22.216 -26.48215 30.63069 
1 1 1  -39   18   10 o   69.419   19.302   13.122   12.766 -14.7500   21.718   27.838   15.780   53.412   25.683   85.427   28.822 -32.01540 38.60493 
1 1 1  -39   18   11 o   53.583   17.662  -4.9642   12.485 -17.7005   21.882   1.1829   15.202   52.398   25.340   54.769   24.612 -2.370457 35.32477 
1 1 1  -39   18   12 o  190.373   12.394  104.069   12.750  104.069   12.750   0.0000   0.0000  190.373   12.394  ?   ?       ?      ? 
1 1 1  -39   18   13 o  156.402   14.201   71.514   12.002   71.514   12.002   0.0000   0.0000  156.402   14.201  ?   ?       ?      ? 
1 1 1  -39   18   14 o  114.502   12.824   40.867   7.6118   37.168   11.408   43.835   10.220  107.491   20.386  121.514   15.564 -14.02364 25.64792 
1 1 1  -39   18   15 f   37.379   12.651 -11.0672   7.1296  -5.8135   10.902 -14.9928   9.4241   42.112   19.621   32.646   15.974 9.466007 25.30104 
1 1 1  -39   18   16 o   30.146   10.660 -23.2595   6.9471 -17.4455   10.442 -27.8772   9.3055   33.627   16.528   26.664   13.469 6.962839 21.32065 
1 1 1  -39   18   17 o   40.346   13.124  -6.8520   6.7669   3.2108   10.243 -14.6444   9.0139   49.069   21.178   31.622   15.505 17.44685 26.24730 
1 1 1  -39   18   18 o   53.355   15.401   2.0567   8.0519 -11.1253   10.963   17.498   11.865   37.709   18.161   69.000   24.878 -31.29114 30.80161 
1 1 1  -39   18   19 o   60.367   16.653   9.3445   7.7835   23.536   13.533   2.3300   9.5146   75.266   26.630   45.469   20.003 29.79647 33.30568 
1 1 1  -39   18   20 o   46.765   14.754   2.4092   7.2232   4.9369   12.313   1.0830   8.9191   50.898   22.556   42.632   19.026 8.266884 29.50827 
1 1 1  -39   18   21 o   68.424   13.306   16.366   7.2279  -7.0537   11.573   31.343   9.2549   40.317   19.213   96.530   18.415 -56.21314 26.61257 
1 1 1  -39   18   22 o   50.856   14.603   1.9646   6.9064   16.855   10.979  -7.7857   8.8843   66.705   23.944   35.007   16.724 31.69731 29.20671 
1 1 1  -39   18   23 o   92.078   23.756   31.323   11.899   31.323   11.899   0.0000   0.0000   92.078   23.756  ?   ?       ?      ? 
1 1 1  -39   18   24 o   57.083   14.602   2.6234   7.3937   24.919   11.429 -13.4252   9.6962   80.838   24.241   33.328   16.286 47.50985 29.20345 
1 1 1  -39   18   25 o   42.117   19.813  -4.5698   11.571   0.0000   0.0000  -4.5698   11.571  ?   ?    42.117   19.813      ?      ? 
1 1 1  -39   18   26 o   64.497   16.080   11.091   9.4575 -13.6644   13.748   33.333   13.031   39.700   19.398   89.294   25.651 -49.59385 32.15972 
1 1 1  -39   18   27 o   71.221   18.617   22.059   9.5590   30.878   14.710   15.613   12.577   80.758   27.817   61.683   24.750 19.07509 37.23419 
1 1 1  -39   19    1 o   42.763   13.510  -1.1409   6.4268   2.3349   9.3850  -4.2101   8.8191   46.803   20.236   38.723   17.905 8.079613 27.01996 
1 1 1  -39   19    2 o   34.504   11.723 -10.2068   6.3807 -12.2526   9.4157  -8.4696   8.6769   34.111   16.527   34.896   16.631 -0.7846184 23.44628 
1 1 1  -39   19    3 o   44.033   13.671  -2.2948   6.5286   6.9270   9.9658  -9.2276   8.6409   53.791   21.872   34.274   16.406 19.51730 27.34152 
1 1 1  -39   19    4 o   35.250   11.999 -11.7224   6.5112  -5.3240   10.229 -16.0807   8.4424   40.969   19.060   29.530   14.580 11.43874 23.99770 
1 1 1  -39   19    5 o   31.062   10.833 -18.7921   6.3962  -8.1731   9.3641 -28.0798   8.7575   36.820   17.471   25.303   12.814 11.51723 21.66601 
1 1 1  -39   19    6 o   49.733   14.174  -0.6541   6.7180   14.761   10.446 -11.5278   8.7730   66.430   23.407   33.036   15.993 33.39452 28.34897 
1 1 1  -39   19    7 o   45.357   14.104   0.4480   6.8543  -5.2241   10.842   4.2243   8.8464   42.251   19.645   48.463   20.242 -6.211994 28.20772 
1 1 1  -39   19    8 o   62.948   19.592   7.6047   12.579   14.279   20.327   3.4617   16.014   68.962   29.799   56.934   25.445 12.02797 39.18459 
1 1 1  -39   19    9 o   68.324   20.301   15.026   12.615   12.315   20.742   16.617   15.892   67.270   29.565   69.379   27.827 -2.108528 40.60136 
1 1 1  -39   19   10 o   37.312   12.990 -16.5337   8.3182 -14.3480   9.8827 -21.8446   15.405   33.803   16.501   40.821   20.066 -7.018448 25.97959 
1 1 1  -39   19   11 o   69.527   15.557   15.473   6.9962   25.796   10.663   7.6712   9.2705   85.703   22.674   53.351   21.305 32.35138 31.11324 
1 1 1  -39   19   12 o   44.920   14.044  -2.8484   7.0494   8.9876   10.869 -11.4420   9.2615   56.072   22.826   33.768   16.368 22.30422 28.08751 
1 1 1  -39   19   13 o   52.794   15.429   7.4195   7.1080   8.3150   10.792   6.7332   9.4466   54.450   22.517   51.139   21.101 3.310905 30.85847 
1 1 1  -39   19   14 o   39.624   13.068  -4.0574   6.7175  -0.9811   10.519  -6.1757   8.7291   43.507   19.911   35.741   16.932 7.766445 26.13688 
1 1 1  -39   19   15 o   50.247   14.797   4.7242   6.8967   13.441   10.607  -1.6597   9.0773   60.366   23.169   40.128   18.413 20.23758 29.59465 
1 1 1  -39   19   16 o   44.107   14.031   0.0331   7.0759   5.6403   10.541  -4.5653   9.5461   49.788   21.486   38.425   18.050 11.36241 28.06210 
1 1 1  -39   19   17 o   44.107   14.221  -0.3751   7.5210   1.3243   10.503  -2.1633   10.774   45.464   20.441   42.751   19.775 2.713055 28.44150 
1 1 1  -39   19   18 o   58.438   14.777   6.1721   7.1924   24.315   11.066  -7.0987   9.4641   80.055   23.819   36.820   17.497 43.23582 29.55463 
1 1 1  -39   19   19 o   55.463   15.854   9.2215   7.4061   4.8581   12.828   11.403   9.0707   52.614   23.183   58.312   21.632 -5.698620 31.70820 
1 1 1  -39   19   20 o   48.619   14.870   4.0699   7.1674   2.1378   11.106   5.4491   9.3831   47.851   21.302   49.387   20.752 -1.535973 29.73905 
1 1 1  -39   19   21 o   73.133   16.167   20.207   7.0889   19.020   11.266   20.984   9.1207   69.897   24.329   76.370   21.298 -6.472809 32.33487 
1 1 1  -39   19   22 o   41.040   13.328  -8.1988   7.1178   8.2375   10.978 -20.1195   9.3491   53.149   22.395   28.932   14.459 24.21664 26.65696 
1 1 1  -39   19   23 o   47.925   15.212   1.0367   8.8305 -10.8987   13.316   10.405   11.798   40.347   19.573   55.503   23.293 -15.15588 30.42441 
1 1 1  -39   20    1 f   54.299   15.085   9.0780   6.5227   13.210   9.7944   5.7853   8.7437   60.272   22.455   48.325   20.149 11.94702 30.16986 
1 1 1  -39   20    2 o   41.964   12.892  -3.2441   6.5275 -19.3674   9.8740   9.2723   8.6997   30.448   15.159   53.481   20.857 -23.03278 25.78410 
1 1 1  -39   20    3 o   55.988   15.283   9.8630   6.5309   15.476   10.327   6.1223   8.4308   63.649   23.170   48.327   19.936 15.32176 30.56627 
1 1 1  -39   20    4 o   68.423   15.537   17.792   6.6154   15.112   10.051   19.841   8.7872   63.137   22.877   73.709   21.029 -10.57236 31.07337 
1 1 1  -39   20    5 o   51.136   14.762   7.2114   6.6930   2.5205   9.8801   11.190   9.0987   45.590   20.204   56.682   21.529 -11.09211 29.52439 
1 1 1  -39   20    6 o   52.775   14.549   6.9245   6.9736  -4.7390   10.503   16.122   9.3263   40.081   18.861   65.469   22.157 -25.38832 29.09819 
1 1 1  -39   20    7 o   56.174   18.435   3.7528   12.767   15.563   21.236  -2.9324   15.977   63.562   28.776   48.786   23.050 14.77602 36.87004 
1 1 1  -39   20    8 o   45.337   15.665 -13.7740   12.362 -14.8153   19.855 -13.1149   15.798   47.317   23.160   43.357   21.098 3.960423 31.32944 
1 1 1  -39   20    9 o   49.678   16.046   1.0446   8.7084  -2.1076   10.377   8.5518   16.014   42.174   19.473   57.182   25.509 -15.00758 32.09192 
1 1 1  -39   20   10 f   63.639   15.919   14.761   6.8070   16.114   10.201   13.675   9.1392   65.574   23.129   61.703   21.878 3.870556 31.83706 
1 1 1  -39   20   11 f   36.551   12.356  -8.4079   6.7902  -5.2818   10.267 -10.8387   9.0532   39.757   18.690   33.345   16.167 6.411888 24.71220 
1 1 1  -39   20   12 o   62.917   16.268   13.253   7.2592   19.859   11.310   8.6265   9.4661   71.967   24.401   53.868   21.523 18.09984 32.53643 
1 1 1  -39   20   13 o   66.743   15.533   14.252   7.0801   25.893   10.816   5.5238   9.3654   83.984   23.108   49.501   20.762 34.48347 31.06532 
1 1 1  -39   20   14 o   91.683   15.189   28.307   7.3228   37.432   11.709   22.447   9.3843  103.661   21.605   79.706   21.357 23.95579 30.37887 
1 1 1  -39   20   15 o   48.632   14.227  -1.2229   7.1801   15.309   10.653 -14.9847   9.7195   64.713   23.536   32.552   15.988 32.16151 28.45301 
1 1 1  -39   20   16 o   49.037   15.189   3.8937   7.7025   5.3725   10.851   2.3919   10.935   50.573   21.813   47.501   21.143 3.072289 30.37776 
1 1 1  -39   20   17 o   60.145   15.312   6.6426   8.0344 -10.2688   10.773   27.838   12.060   36.959   17.851   83.331   24.882 -46.37132 30.62326 
1 1 1  -39   20   18 o   50.934   15.531   6.5262   7.4798   6.5563   13.074   6.5116   9.1197   52.615   23.283   49.252   20.560 3.362663 31.06143 
1 1 1  -39   20   19 o   63.838   16.070   16.203   7.3955   10.169   11.379   20.615   9.7311   55.006   22.964   72.669   22.485 -17.66225 32.13954 
1 1 1  -39   20   20 o   71.533   17.249   21.482   8.2747   27.212   11.695   15.739   11.709   80.930   24.579   62.137   24.207 18.79276 34.49811 
1 1 1  -39   21    1 o   48.640   14.528   5.6330   6.5767   4.4508   9.4231   6.7558   9.1832   47.265   20.357   50.014   20.734 -2.748524 29.05673 
1 1 1  -39   21    2 o   42.379   13.586  -0.3433   6.7661  -2.7747   10.012   1.7003   9.1794   40.918   18.976   43.840   19.449 -2.921692 27.17235 
1 1 1  -39   21    3 o   76.317   14.483   21.967   6.9685   9.5321   10.483   31.814   9.3281   55.005   22.406   97.629   18.356 -42.62337 28.96503 
1 1 1  -39   21    4 o   41.794   13.518  -1.1789   6.8063  -1.8974   10.354  -0.6321   9.0321   42.357   19.520   41.231   18.707 1.125111 27.03673 
1 1 1  -39   21    5 o   37.634   13.401 -17.9142   8.7500 -38.2658   22.364 -14.2357   9.5079   43.043   21.630   32.226   15.825 10.81665 26.80125 
1 1 1  -39   21    6 o   57.316   18.697   6.2718   13.367   4.7523   21.227   7.2703   17.208   57.691   27.041   56.941   25.829 0.7498474 37.39488 
1 1 1  -39   21    7 o   69.973   19.040   16.369   13.767 -25.0000   22.564   40.901   17.375   46.699   23.194   93.247   30.202 -46.54852 38.08036 
1 1 1  -39   21    8 o   41.873   13.364  -4.1981   6.8608   7.5575   10.150 -14.0877   9.3096   51.967   21.692   31.778   15.616 20.18889 26.72848 
1 1 1  -39   21    9 o   76.097   15.988   21.703   7.0238   25.502   10.699   18.825   9.3113   81.445   23.193   70.749   22.012 10.69578 31.97554 
1 1 1  -39   21   10 o   46.445   13.926   1.8840   6.9250 -10.1970   10.461   11.308   9.2393   36.218   17.516   56.672   21.654 -20.45380 27.85169 
1 1 1  -39   21   11 o   47.383   14.356   3.6266   7.0704  -4.7560   10.698   10.127   9.4211   40.145   18.935   54.622   21.583 -14.47717 28.71171 
1 1 1  -39   21   12 o   45.760   14.264   1.5599   7.0292   9.1838   10.611  -4.4016   9.3832   53.576   22.256   37.944   17.847 15.63279 28.52771 
1 1 1  -39   21   13 o   73.627   16.685   21.715   7.4623   24.414   11.361   19.666   9.8968   76.775   24.375   70.479   22.790 6.295364 33.36909 
1 1 1  -39   21   14 o   48.076   14.249   2.9142   7.2336 -10.3170   10.811   13.639   9.7334   36.457   17.674   59.696   22.357 -23.23930 28.49883 
1 1 1  -38    0    1 o   35.304   14.425   4.3905   6.3017   4.3905   6.3017   4.3905   6.3017   35.304   20.400   35.304   20.400 0.000000 0.000000 
1 1 1  -38    0    2 o   32.017   13.744   2.7547   6.2528   2.7547   6.2528   2.7547   6.2528   32.017   19.437   32.017   19.437 0.000000 0.000000 
1 1 1  -38    0    3 o   28.498   12.947   0.3507   6.4371   0.3507   6.4371   0.3507   6.4371   28.498   18.310   28.498   18.310 0.000000 0.000000 
1 1 1  -38    0    4 o   23.785   11.353  -2.6266   6.0058  -2.6266   6.0058  -2.6266   6.0058   23.785   16.055   23.785   16.055 0.000000 0.000000 
1 1 1  -38    0    5 o   85.474   11.195   21.933   6.5744   21.933   6.5744   21.933   6.5744   85.474   15.832   85.474   15.832 0.000000 0.000000 
1 1 1  -38    0    6 o   32.002   13.986   2.2539   6.7442   2.2539   6.7442   2.2539   6.7442   32.002   19.779   32.002   19.779 0.000000 0.000000 
1 1 1  -38    0    7 o  372.790   5.7743  377.770   16.432  377.770   16.432  377.770   16.432  372.790   8.1661  372.790   8.1661 0.000000 0.000000 
1 1 1  -38    0    8 f   36.207   14.764   4.6603   6.5804   4.6603   6.5804   4.6603   6.5804   36.207   20.879   36.207   20.879 0.000000 0.000000 
1 1 1  -38    0    9 o  100.590   9.5175   29.088   6.9487   29.088   6.9487   29.088   6.9487  100.590   13.460  100.590   13.460 0.000000 0.000000 
1 1 1  -38    0   11 o  259.233   5.3620  182.783   10.602  182.783   10.602  182.783   10.602  259.233   7.5830  259.233   7.5830 0.000000 0.000000 
1 1 1  -38    0   12 o  111.341   8.8397   35.100   7.2777   35.100   7.2777   35.100   7.2777  111.341   12.501  111.341   12.501 0.000000 0.000000 
1 1 1  -38    0   13 o   33.259   14.197   3.1397   6.5983   3.1397   6.5983   3.1397   6.5983   33.259   20.078   33.259   20.078 0.000000 0.000000 
1 1 1  -38    0   14 o  219.945   5.6878  131.861   9.5311  131.861   9.5311  131.861   9.5311  219.945   8.0438  219.945   8.0438 0.000000 0.000000 
1 1 1  -38    0   15 o  139.050   7.4010   53.554   7.7620   53.554   7.7620   53.554   7.7620  139.050   10.467  139.050   10.467 0.000000 0.000000 
1 1 1  -38    0   18 o   40.916   17.457   5.1194   9.9658   5.1194   9.9658   5.1194   9.9658   40.916   24.687   40.916   24.687 0.000000 0.000000 
1 1 1  -38    0   19 o   33.675   14.295   3.4181   6.6163   3.4181   6.6163   3.4181   6.6163   33.675   20.217   33.675   20.217 0.000000 0.000000 
1 1 1  -38    0   20 o   34.879   14.556   4.0440   6.6448   4.0440   6.6448   4.0440   6.6448   34.879   20.585   34.879   20.585 0.000000 0.000000 
1 1 1  -38    0   21 o   22.281   10.962  -5.7543   6.6444  -5.7543   6.6444  -5.7543   6.6444   22.281   15.502   22.281   15.502 0.000000 0.000000 
1 1 1  -38    0   22 o  166.160   6.6095   75.920   8.3319   75.920   8.3319   75.920   8.3319  166.160   9.3472  166.160   9.3472 0.000000 0.000000 
1 1 1  -38    0   23 o  107.552   9.8439   33.346   7.7172   33.346   7.7172   33.346   7.7172  107.552   13.921  107.552   13.921 0.000000 0.000000 
1 1 1  -38    0   24 o  254.925   5.6738  177.305   11.028  177.305   11.028  177.305   11.028  254.925   8.0240  254.925   8.0240 0.000000 0.000000 
1 1 1  -38    0   25 o   49.491   16.723   10.251   7.2581   10.251   7.2581   10.251   7.2581   49.491   23.650   49.491   23.650 0.000000 0.000000 
1 1 1  -38    0   26 o  191.098   6.3643  100.205   9.2471  100.205   9.2471  100.205   9.2471  191.098   9.0004  191.098   9.0004 0.000000 0.000000 
1 1 1  -38    0   27 o  208.853   6.1363  119.467   9.7553  119.467   9.7553  119.467   9.7553  208.853   8.6780  208.853   8.6780 0.000000 0.000000 
1 1 1  -38    0   28 o   26.021   12.492  -3.4936   7.4843  -3.4936   7.4843  -3.4936   7.4843   26.021   17.667   26.021   17.667 0.000000 0.000000 
1 1 1  -38    0   29 o  184.607   9.8960   95.878   13.776   95.878   13.776   95.878   13.776  184.607   13.995  184.607   13.995 0.000000 0.000000 
1 1 1  -38    0   30 o  143.578   12.053   60.000   12.734   60.000   12.734   60.000   12.734  143.578   17.046  143.578   17.046 0.000000 0.000000 
1 1 1  -38    0   31 o   27.513   13.513  -7.6441   9.9857  -7.6441   9.9857  -7.6441   9.9857   27.513   19.111   27.513   19.111 0.000000 0.000000 
1 1 1  -38    0   32 o   21.506   11.070 -22.1014   10.494 -22.1014   10.494 -22.1014   10.494   21.506   15.656   21.506   15.656 0.000000 0.000000 
1 1 1  -38    0   33 o   62.057   17.357   15.206   7.9244   15.206   7.9244   15.206   7.9244   62.057   24.547   62.057   24.547 0.000000 0.000000 
1 1 1  -38    0   34 f   42.757   16.360   7.7362   7.4752   7.7362   7.4752   7.7362   7.4752   42.757   23.136   42.757   23.136 0.000000 0.000000 
1 1 1  -38    0   35 o   47.170   17.335   9.6943   8.1151   9.6943   8.1151   9.6943   8.1151   47.170   24.515   47.170   24.515 0.000000 0.000000 
1 1 1  -38    0   36 f   39.840   16.549   6.0580   8.5180   6.0580   8.5180   6.0580   8.5180   39.840   23.404   39.840   23.404 0.000000 0.000000 
1 1 1  -38    0   37 f   50.054   17.474   10.999   8.0144   10.999   8.0144   10.999   8.0144   50.054   24.711   50.054   24.711 0.000000 0.000000 
1 1 1  -38    0   38 o   46.214   17.231   9.4700   8.1054   9.4700   8.1054   9.4700   8.1054   46.214   24.368   46.214   24.368 0.000000 0.000000 
1 1 1  -38    0   39 o   40.023   16.519   6.5427   8.3943   6.5427   8.3943   6.5427   8.3943   40.023   23.361   40.023   23.361 0.000000 0.000000 
1 1 1  -38    0   40 f   28.512   13.462  -1.5096   8.0359  -1.5096   8.0359  -1.5096   8.0359   28.512   19.039   28.512   19.039 0.000000 0.000000 
1 1 1  -38    0   41 o   59.085   18.694   15.165   8.9868   15.165   8.9868   15.165   8.9868   59.085   26.438   59.085   26.438 0.000000 0.000000 
1 1 1  -38    0   42 f   21.518   10.976 -15.2969   9.1508 -15.2969   9.1508 -15.2969   9.1508   21.518   15.522   21.518   15.522 0.000000 0.000000 
1 1 1  -38    0   43 o   95.778   13.816   29.762   8.9443   29.762   8.9443   29.762   8.9443   95.778   19.538   95.778   19.538 0.000000 0.000000 
1 1 1  -38    0   44 o   47.012   20.674   10.662   14.974   10.662   14.974   10.662   14.974   47.012   29.238   47.012   29.238 0.000000 0.000000 
1 1 1  -38    1    1 o   51.857   12.999   6.6987   4.5902   5.3252   6.4191   8.1359   6.5664   48.698   18.172   55.017   18.592 -6.318760 25.99771 
1 1 1  -38    1    2 o   96.925   9.0024   26.115   4.6771   29.571   6.5744   22.573   6.6551  103.618   11.742   90.231   13.649 13.38769 18.00473 
1 1 1  -38    1    3 o   47.157   12.653   4.5160   4.4676   6.2492   6.5364   2.9963   6.1204   50.844   18.444   43.469   17.326 7.374565 25.30596 
1 1 1  -38    1    4 o   47.494   12.692   4.6319   4.5318   6.6917   6.3869   2.5434   6.4313   51.557   18.288   43.432   17.603 8.125072 25.38365 
1 1 1  -38    1    5 o   38.814   11.805  -0.1625   4.4765  -0.8987   6.2564   0.6099   6.4078   37.464   16.357   40.164   17.027 -2.700336 23.61056 
1 1 1  -38    1    6 o  176.975   6.0740   85.335   5.8010   88.553   8.4717   82.494   7.9599  180.086   8.7057  173.864   8.4725 6.222122 12.14794 
1 1 1  -38    1    7 f  100.816   8.9754   28.194   4.8578   24.583   6.8712   31.803   6.8688   94.189   13.500  107.443   11.831 -13.25404 17.95071 
1 1 1  -38    1    8 o  259.626   7.5774  183.595   10.631   0.0000   0.0000  183.595   10.631  ?   ?   259.626   7.5774      ?      ? 
1 1 1  -38    1    9 o   90.559   10.317   23.345   4.8600   19.064   6.8801   27.608   6.8661   81.174   16.252   99.944   12.713 -18.76993 20.63394 
1 1 1  -38    1   10 o  345.685   5.6968  325.630   10.634  331.969   15.378  319.821   14.722  348.866   8.1575  342.503   7.9543 6.362823 11.39367 
1 1 1  -38    1   11 o   96.682   13.742   25.945   7.1792   25.945   7.1792   0.0000   0.0000   96.682   13.742  ?   ?       ?      ? 
1 1 1  -38    1   12 o   72.409   12.442   15.450   4.8395   13.371   6.9947   17.358   6.7027   67.556   18.581   77.262   16.553 -9.706177 24.88435 
1 1 1  -38    1   13 o  108.981   8.6851   32.524   5.0167   42.159   7.4677   24.600   6.7724  123.774   11.165   94.188   13.306 29.58537 17.37016 
1 1 1  -38    1   14 o   97.103   9.9584   26.065   5.1991   30.008   7.6760   22.722   7.0670  103.925   13.669   90.280   14.486 13.64429 19.91689 
1 1 1  -38    1   15 o  238.511   7.1779  151.738   8.7478  143.197   10.621  169.752   15.425  228.908   8.5867  248.114   11.505 -19.20593 14.35575 
1 1 1  -38    1   16 o   55.169   23.244   2.7523   11.823   0.0000   0.0000   2.7523   11.823  ?   ?    55.169   23.244      ?      ? 
1 1 1  -38    1   18 o  183.791   9.4139   95.090   9.1283   88.941   14.272   99.347   11.875  178.042   14.835  189.540   11.594 -11.49886 18.82789 
1 1 1  -38    1   19 o  106.827   9.5862   32.814   5.1267   44.807   7.3694   21.567   7.1366  127.464   10.699   86.190   15.909 41.27328 19.17235 
1 1 1  -38    1   20 o   87.529   10.919   22.158   4.9896   18.263   7.1179   25.921   6.9965   78.707   17.215   96.350   13.438 -17.64285 21.83898 
1 1 1  -38    1   21 o  140.598   7.1894   54.392   5.4592   56.728   7.8575   52.212   7.5904  143.524   10.131  137.673   10.203 5.850754 14.37871 
1 1 1  -38    1   22 o   68.877   10.384   12.099   5.0771  -4.8803   7.1468   29.398   7.2139   35.106   16.192  102.647   13.006 -67.54048 20.76887 
1 1 1  -38    1   23 o  119.958   8.4739   39.977   5.4903   41.641   7.8850   38.411   7.6494  122.397   11.922  117.520   12.046 4.876846 16.94772 
1 1 1  -38    1   24 o   93.643   11.314   26.288   5.3594   16.457   7.6271   35.877   7.5325   73.872   18.999  113.413   12.291 -39.54082 22.62842 
1 1 1  -38    1   25 o  112.187   9.1749   35.258   5.5522   38.093   7.9452   32.553   7.7619  116.707   12.599  107.667   13.341 9.040367 18.34974 
1 1 1  -38    1   26 o  210.132   6.0856  121.288   6.9091  120.336   9.8288  122.219   9.7141  209.282   8.6913  210.981   8.5206 -1.699203 12.17122 
1 1 1  -38    1   27 o  148.992   7.4239   61.697   5.9522   55.961   8.4809   67.265   8.3558  141.944   11.057  156.040   9.9098 -14.09622 14.84789 
1 1 1  -38    1   28 o  161.237   7.3924   72.190   6.4268   77.437   9.0821   66.926   9.0958  167.271   10.048  155.202   10.846 12.06973 14.78474 
1 1 1  -38    1   29 o  188.680   8.2167   98.459   7.9974   96.074   9.8864  102.973   13.603  186.303   9.8204  191.057   13.176 -4.753906 16.43334 
1 1 1  -38    1   30 o  150.779   10.634   63.268   8.6638   0.0000   0.0000   63.268   8.6638  ?   ?   150.779   10.634      ?      ? 
1 1 1  -38    1   31 o   98.884   15.146   28.102   8.0931   0.0000   0.0000   28.102   8.0931  ?   ?    98.884   15.146      ?      ? 
1 1 1  -38    1   32 o  133.160   10.043   48.556   6.8699   44.089   8.3484   57.928   12.091  124.981   12.361  141.339   15.831 -16.35751 20.08578 
1 1 1  -38    1   33 o   57.611   15.306   7.5900   6.2815   4.3804   7.7622   13.680   10.693   48.183   19.405   67.039   23.676 -18.85635 30.61195 
1 1 1  -38    1   34 o   51.785   13.490   6.0293   5.3147   0.8958   7.4551   11.334   7.5786   42.296   18.159   61.274   19.953 -18.97887 26.97910 
1 1 1  -38    1   35 o   70.111   13.986   15.332   5.5155   14.365   7.4903   16.478   8.1517   67.882   19.432   72.339   20.121 -4.457161 27.97276 
1 1 1  -38    1   36 o   73.525   13.776   17.209   5.6903   12.800   8.1482   21.406   7.9500   63.949   20.679   83.101   18.207 -19.15181 27.55217 
1 1 1  -38    1   37 o   49.956   13.987   4.8615   5.7743   1.0135   7.9729   9.1063   8.3740   43.241   18.674   56.671   20.828 -13.43064 27.97348 
1 1 1  -38    1   38 o   89.753   12.588   24.830   5.9767   29.053   8.4861   20.674   8.4190   99.074   15.851   80.432   19.559 18.64212 25.17583 
1 1 1  -38    1   39 o   70.283   14.558   16.436   5.9247   18.318   8.2608   14.442   8.5021   74.551   20.064   66.015   21.100 8.536491 29.11624 
1 1 1  -38    1   40 o  110.433   11.114   36.939   6.2688   27.158   8.6945   47.528   9.0467   92.907   17.968  127.960   13.084 -35.05318 22.22715 
1 1 1  -38    1   41 o   73.087   21.843   17.850   9.2909   17.850   9.2909   0.0000   0.0000   73.087   21.843  ?   ?       ?      ? 
1 1 1  -38    1   42 o   70.289   15.733   16.619   6.6957   16.705   9.6016   16.538   9.3419   70.393   22.415   70.186   22.083 0.2068710 31.46527 
1 1 1  -38    1   43 o   36.269   12.088  -5.8133   6.1462  -6.4064   8.7148  -5.2263   8.6693   35.838   16.961   36.700   17.227 -0.8618584 24.17527 
1 1 1  -38    1   44 o   64.609   26.202   16.887   14.259   0.0000   0.0000   16.887   14.259  ?   ?    64.609   26.202      ?      ? 
1 1 1  -38    1   46 o   29.930   15.158 -34.0315   12.267   0.0000   0.0000 -34.0315   12.267  ?   ?    29.930   15.158      ?      ? 
1 1 1  -38    2    1 o   33.279   10.746  -3.7833   4.3156  -4.9784   6.0875  -2.5759   6.1189   31.815   14.769   34.743   15.613 -2.927713 21.49191 
1 1 1  -38    2    2 o   63.298   12.413   11.686   4.4815   8.7466   6.4744   14.390   6.2096   56.319   18.447   70.277   16.614 -13.95806 24.82544 
1 1 1  -38    2    3 o   67.076   12.436   13.041   4.6450   16.695   6.6893   9.6384   6.4551   75.733   16.787   58.420   18.352 17.31335 24.87176 
1 1 1  -38    2    4 o  124.314   7.5725   42.165   5.0054   53.427   7.4016   32.673   6.7948  139.678   9.8063  108.950   11.542 30.72832 15.14501 
1 1 1  -38    2    5 o  118.863   7.5976   38.785   4.8770   39.052   7.0303   38.537   6.7712  119.228   10.912  118.498   10.575 0.7303772 15.19527 
1 1 1  -38    2    6 f  120.973   7.5022   40.121   4.9012   41.616   7.0795   38.746   6.7922  123.128   10.640  118.817   10.579 4.310616 15.00444 
1 1 1  -38    2    7 o  125.496   7.5489   43.464   5.0886   38.713   7.2792   48.004   7.1164  118.623   11.356  132.368   9.9492 -13.74472 15.09777 
1 1 1  -38    2    8 o  106.771   8.7175   31.505   4.9969   36.170   7.1627   27.081   6.9745  114.617   11.565   98.925   13.047 15.69250 17.43495 
1 1 1  -38    2    9 o  172.732   8.6571   81.479   8.0804   0.0000   0.0000   81.479   8.0804  ?   ?   172.732   8.6571      ?      ? 
1 1 1  -38    2   10 o  190.739   6.0026   99.350   6.1840   96.004   8.7489  102.691   8.7422  187.495   8.6353  193.984   8.3401 -6.489365 12.00517 
1 1 1  -38    2   11 o  189.007   6.0586   97.616   6.1806   92.045   8.7285  103.218   8.7529  183.540   8.8008  194.475   8.3292 -10.93448 12.11729 
1 1 1  -38    2   12 o  123.164   8.1205   42.277   5.3373   36.534   7.7875   47.363   7.3296  114.957   12.536  131.370   10.325 -16.41313 16.24093 
1 1 1  -38    2   13 o  129.741   8.0713   48.057   5.4112   33.257   7.8365   61.545   7.4810  109.512   13.243  149.970   9.2314 -40.45805 16.14267 
1 1 1  -38    2   14 o  183.250   7.3391   91.294   7.0821   88.194   8.9869   96.374   11.504  179.490   9.2657  187.010   11.384 -7.519714 14.67820 
1 1 1  -38    2   15 o   69.417   15.233   14.006   6.6748   19.327   8.9961   7.4887   9.9558   80.423   20.607   58.410   22.440 22.01256 30.46647 
1 1 1  -38    2   16 o  119.643   11.967   41.623   7.2936   53.041   10.335   30.293   10.295  137.956   13.863  101.330   19.509 36.62680 23.93345 
1 1 1  -38    2   17 o   76.262   23.371   17.455   10.542   0.0000   0.0000   17.455   10.542  ?   ?    76.262   23.371      ?      ? 
1 1 1  -38    2   18 o   86.372   14.848   20.456   7.1964   36.396   11.530   10.284   9.2108  110.829   19.988   61.915   21.962 48.91420 29.69612 
1 1 1  -38    2   19 o  110.073   10.372   31.719   5.9495   23.515   7.4243   46.441   9.9455   91.424   15.028  128.722   14.298 -37.29869 20.74354 
1 1 1  -38    2   20 o  104.853   9.1348   30.425   5.1512   34.881   7.6012   26.641   7.0051  111.993   12.560   97.714   13.267 14.27885 18.26952 
1 1 1  -38    2   21 o   74.843   11.979   16.182   4.9613   23.258   7.2221   9.8577   6.8273   90.941   14.697   58.745   18.922 32.19655 23.95859 
1 1 1  -38    2   22 o   53.064   12.947   6.5899   4.8941   12.145   6.9925   1.2557   6.8523   64.100   18.900   42.028   17.700 22.07244 25.89411 
1 1 1  -38    2   23 o   39.442   12.154  -0.7255   4.8909   0.9481   7.0246  -2.3002   6.8138   41.933   17.805   36.951   16.550 4.982601 24.30883 
1 1 1  -38    2   24 o   82.225   12.083   20.003   5.1935   21.932   7.4743   18.202   7.2217   86.308   16.629   78.142   17.534 8.166344 24.16556 
1 1 1  -38    2   25 o   71.722   12.953   15.483   5.0468   14.297   7.1504   16.659   7.1241   68.910   18.718   74.535   17.911 -5.624931 25.90652 
1 1 1  -38    2   26 o   44.963   12.234  -0.1528   5.1427   10.204   7.2782 -10.4797   7.2677   59.470   19.562   30.456   14.698 29.01321 24.46883 
1 1 1  -38    2   27 o   76.860   12.648   17.460   5.4633   10.277   7.5925   25.173   7.8673   59.767   19.993   93.953   15.496 -34.18589 25.29557 
1 1 1  -38    2   28 o   62.095   15.500   10.244   6.2270   8.3188   7.6728   13.959   10.658   55.680   20.014   68.509   23.674 -12.82965 30.99993 
1 1 1  -38    2   29 o  151.687   7.5704   64.094   6.1643   73.436   8.8199   55.174   8.6189  162.777   10.027  140.598   11.344 22.17909 15.14077 
1 1 1  -38    2   30 o   54.485   14.698   7.3438   5.8859   4.4932   10.467   8.6622   7.1181   53.414   22.139   55.556   19.339 -2.142090 29.39576 
1 1 1  -38    2   31 o   57.458   15.522   7.6515   6.2649   11.394   11.416   6.0386   7.4942   64.172   24.177   50.743   19.475 13.42858 31.04493 
1 1 1  -38    2   32 o  150.825   9.4109   59.277   7.2071   81.419   13.248   49.971   8.5892  168.417   14.558  133.233   11.930 35.18390 18.82183 
1 1 1  -38    2   33 o   45.879   13.630   1.8603   5.9663   5.7411   7.6098  -4.3311   9.6118   50.221   19.529   41.536   19.018 8.685421 27.25899 
1 1 1  -38    2   34 o   56.256   13.991  -0.3891   6.2383 -10.7295   7.5569   21.734   11.053   30.865   14.918   81.647   23.674 -50.78254 27.98210 
1 1 1  -38    2   35 o   43.968   13.149   1.8877   5.3784   2.7599   7.8510   1.1165   7.3829   45.663   19.071   42.272   18.108 3.390957 26.29822 
1 1 1  -38    2   36 o  123.353   8.9628   43.381   5.9698   45.707   8.5410   41.159   8.3474  126.686   12.477  120.020   12.871 6.666100 17.92551 
1 1 1  -38    2   37 o  104.998   10.554   32.229   5.9610   29.307   8.5019   35.055   8.3602   99.865   15.755  110.132   14.048 -10.26720 21.10834 
1 1 1  -38    2   38 o   60.858   12.375   8.1819   5.9076   23.482   8.2909  -7.5976   8.4199   86.525   18.304   35.191   16.659 51.33417 24.75011 
1 1 1  -38    2   39 f   75.767   14.091   18.719   5.9577   24.114   8.7169   13.989   8.1615   86.406   19.171   65.128   20.658 21.27855 28.18255 
1 1 1  -38    2   40 o   43.101   13.110  -2.0358   6.1645   7.5347   8.6871 -11.7430   8.7490   53.344   20.832   32.858   15.922 20.48611 26.21969 
1 1 1  -38    2   42 o   32.192   11.097 -14.2074   6.2792 -19.9482   8.7836  -8.2069   8.9800   28.507   14.210   35.877   17.048 -7.369799 22.19316 
1 1 1  -38    2   43 o   42.984   13.458   0.8945   6.2544   3.6726   8.8265  -1.9070   8.8637   46.064   19.768   39.903   18.267 6.160496 26.91593 
1 1 1  -38    2   44 o   35.279   17.528 -22.1081   12.923   0.0000   0.0000 -22.1081   12.923  ?   ?    35.279   17.528      ?      ? 
1 1 1  -38    2   46 o   43.564   14.659  -7.5138   9.7625 -18.0068   14.448   1.3014   13.243   38.923   19.191   48.205   22.164 -9.281273 29.31757 
1 1 1  -38    3    1 o  125.351   7.2925   42.891   4.9270   47.044   7.2566   39.340   6.7109  130.962   10.254  119.740   10.372 11.22245 14.58505 
1 1 1  -38    3    2 o  255.027   5.3945  177.303   7.4190  163.320   10.430  191.625   10.555  244.770   7.8856  265.283   7.3633 -20.51381 10.78895 
1 1 1  -38    3    3 o   83.998   10.655   20.017   4.6809   24.687   6.7854   15.776   6.4657   94.398   13.302   73.598   16.647 20.80037 21.30927 
1 1 1  -38    3    4 o  172.894   6.0242   81.916   5.6020   77.470   8.1837   85.837   7.6846  168.359   8.9955  177.428   8.0152 -9.068634 12.04834 
1 1 1  -38    3    5 o  152.573   6.5297   63.241   5.3556   67.676   8.0844   59.773   7.1494  157.251   9.5140  147.894   8.9460 9.357361 13.05939 
1 1 1  -38    3    6 o   42.606   12.387   1.9622   4.5847   2.6500   6.6158   1.3268   6.3594   44.057   17.855   41.155   17.174 2.902111 24.77329 
1 1 1  -38    3    7 o   53.384   18.787   7.3155   6.7271   7.3155   6.7271   0.0000   0.0000   53.384   18.787  ?   ?       ?      ? 
1 1 1  -38    3    8 o   60.882   12.475   10.604   4.6389   5.3050   6.7662   15.304   6.3724   49.295   18.603   72.470   16.626 -23.17478 24.95003 
1 1 1  -38    3    9 o   80.933   11.103   19.354   4.6875   25.905   6.5166   12.331   6.7476   96.832   12.454   65.034   18.384 31.79797 22.20513 
1 1 1  -38    3   10 o   63.595   12.802   11.792   4.6238   12.786   6.3814   10.694   6.7089   66.134   17.562   61.056   18.632 5.077366 25.60427 
1 1 1  -38    3   11 o   51.929   10.568   1.8284   4.7904 -14.6444   6.8843   17.292   6.6701   26.753   13.201   77.105   16.507 -50.35146 21.13671 
1 1 1  -38    3   12 o   59.619   12.054   8.4805   4.7750   18.398   7.1254   0.3959   6.4333   79.393   17.113   39.846   16.982 39.54776 24.10866 
1 1 1  -38    3   13 o   58.520   13.583   9.4073   4.9758   11.167   7.3065   7.8850   6.7950   62.415   19.512   54.625   18.901 7.789665 27.16575 
1 1 1  -38    3   14 o  136.369   9.4682   51.591   6.9486   45.563   9.6329   58.131   10.033  127.919   13.936  144.818   12.821 -16.89931 18.93632 
1 1 1  -38    3   15 o  114.475   11.087   36.780   6.8413   36.239   9.3279   37.410   10.064  113.702   15.182  115.248   16.160 -1.546097 22.17324 
1 1 1  -38    3   16 o   33.016   11.072  -8.8012   5.3752 -14.4167   8.5180  -5.0853   6.9291   31.690   15.437   34.343   15.877 -2.652630 22.14405 
1 1 1  -38    3   17 o  181.357   9.4792   92.927   9.1218   83.198   13.802  100.473   12.155  172.190   14.833  190.525   11.806 -18.33514 18.95831 
1 1 1  -38    3   18 o   44.587   14.368  -7.3456   7.4350   1.1273   12.256 -12.2793   9.3524   53.857   23.206   35.317   16.948 18.54018 28.73588 
1 1 1  -38    3   19 o  183.501   7.6582   92.617   7.3535   91.614   9.2875   94.302   12.039  182.652   9.4099  184.350   12.085 -1.697937 15.31643 
1 1 1  -38    3   20 f  137.688   7.3707   52.251   5.4830   52.957   7.8422   51.576   7.6691  138.585   10.472  136.791   10.375 1.794220 14.74148 
1 1 1  -38    3   21 o   64.733   12.323   12.203   4.8531   4.8566   6.9476   19.204   6.7821   48.394   18.704   81.073   16.049 -32.67884 24.64562 
1 1 1  -38    3   22 o   68.935   12.569   14.032   4.9678   7.9299   6.9588   20.374   7.0941   54.484   19.112   83.387   16.328 -28.90305 25.13727 
1 1 1  -38    3   23 o   50.081   13.063   5.5499   4.9358   1.1453   7.2176   9.4195   6.7650   42.684   18.081   57.478   18.858 -14.79400 26.12580 
1 1 1  -38    3   24 o   74.270   12.580   16.296   5.1058   22.669   7.5059   10.808   6.9657   87.833   16.418   60.706   19.063 27.12629 25.15901 
1 1 1  -38    3   25 o   60.754   13.800   10.757   5.1362   11.395   7.4216   10.170   7.1153   62.204   19.696   59.303   19.334 2.901031 27.59954 
1 1 1  -38    3   26 o   37.561   11.884  -2.8465   5.0220   0.4094   7.3190  -5.7432   6.9036   41.778   17.967   33.344   15.561 8.434525 23.76891 
1 1 1  -38    3   27 o   47.230   13.793   2.2426   6.0620   6.7507   7.4989  -6.2590   10.298   52.507   19.631   41.953   19.381 10.55418 27.58628 
1 1 1  -38    3   28 o   88.264   12.278   23.253   5.6472   23.739   8.0211   22.775   7.9520   89.248   17.256   87.279   17.470 1.969498 24.55593 
1 1 1  -38    3   29 o   45.521   13.869   1.1045   6.0129  -0.6387   10.170   2.0413   7.4555   46.827   20.637   44.216   18.534 2.611137 27.73829 
1 1 1  -38    3   30 o   44.605   13.045   1.9661   5.3459  -2.5236   7.9309   5.7047   7.2371   39.414   17.738   49.796   19.132 -10.38164 26.08951 
1 1 1  -38    3   31 o   56.277   13.638   8.1826   5.5166   1.4637   7.9691   14.365   7.6443   44.365   18.904   68.189   19.663 -23.82457 27.27639 
1 1 1  -38    3   32 o   71.918   13.329   17.305   6.5620  -0.9671   11.446   26.251   8.0089   48.637   21.641   95.199   15.569 -46.56221 26.65885 
1 1 1  -38    3   33 o   46.830   13.635   2.6161   5.7305   6.6682   8.2136  -1.2270   7.9991   52.756   20.352   40.903   18.150 11.85341 27.26935 
1 1 1  -38    3   34 f   45.868   14.046   0.9050   6.1828   0.2501   7.7325   2.0660   10.295   42.057   18.276   49.678   21.335 -7.620857 28.09237 
1 1 1  -38    3   35 o   42.619   13.122  -0.0595   5.6894  -2.3670   7.7409   2.6514   8.3904   38.728   17.468   46.510   19.587 -7.782280 26.24481 
1 1 1  -38    3   36 o   67.558   13.661   14.213   5.7129   6.7417   8.1747   21.346   7.9871   52.270   20.264   82.845   18.327 -30.57437 27.32274 
1 1 1  -38    3   37 o   79.060   13.825   19.857   5.8783   20.852   8.2690   18.840   8.3581   81.320   19.137   76.800   19.958 4.519562 27.64992 
1 1 1  -38    3   38 o   47.084   13.922   3.5626   5.9208   3.1364   8.1435   4.0406   8.6236   46.021   19.335   48.148   20.037 -2.126331 27.84462 
1 1 1  -38    3   39 o   46.589   12.153  -2.7775   5.7063 -20.7135   8.1201   14.722   8.0206   26.445   13.254   66.732   20.374 -40.28735 24.30592 
1 1 1  -38    3   40 o   41.699   13.101  -1.3355   6.0842   2.8860   8.4453  -5.8908   8.7728   46.099   19.545   37.300   17.452 8.799400 26.20268 
1 1 1  -38    3   41 o  123.597   10.119   45.259   6.6014   55.179   9.2921   35.151   9.3801  138.637   12.403  108.557   15.991 30.08054 20.23717 
1 1 1  -38    3   42 o   96.984   12.547   29.606   6.3330   29.909   8.9290   29.299   8.9836   97.623   17.572   96.344   17.915 1.279602 25.09479 
1 1 1  -38    3   43 o   35.844   12.344 -10.6407   7.0607  -9.8257   8.5097 -12.4414   12.649   32.539   15.752   39.148   19.011 -6.608814 24.68876 
1 1 1  -38    3   44 o   50.480   23.116   1.1696   14.207   0.0000   0.0000   1.1696   14.207  ?   ?    50.480   23.116      ?      ? 
1 1 1  -38    3   46 o   45.068   14.967  -2.7766   9.3726  -9.0473   14.846   1.3793   12.086   43.400   20.960   46.736   21.372 -3.335892 29.93461 
1 1 1  -38    4    1 o  103.824   11.435   29.686   6.4154   0.0000   0.0000   29.686   6.4154  ?   ?   103.824   11.435      ?      ? 
1 1 1  -38    4    2 o   56.460   18.685   8.7573   6.6363   8.7573   6.6363   0.0000   0.0000   56.460   18.685  ?   ?       ?      ? 
1 1 1  -38    4    3 o   95.923   9.0420   25.624   4.6526   22.774   6.7026   28.273   6.4634   90.578   13.694  101.268   11.811 -10.69026 18.08410 
1 1 1  -38    4    4 o   40.557   12.002   0.3534   4.4994   3.8589   6.7425  -2.4607   6.0412   46.491   18.294   34.623   15.540 11.86834 24.00338 
1 1 1  -38    4    5 o  129.386   10.943   46.021   7.6507   46.021   7.6507   0.0000   0.0000  129.386   10.943  ?   ?       ?      ? 
1 1 1  -38    4    6 o  167.102   6.1676   76.661   5.5363   68.006   7.8984   85.019   7.7624  157.665   9.2707  176.538   8.1371 -18.87354 12.33526 
1 1 1  -38    4    7 o   37.586   11.592  -2.9541   4.6941   2.9531   6.9049  -8.0300   6.4007   45.261   18.276   29.912   14.264 15.34885 23.18338 
1 1 1  -38    4    8 o   69.372   12.474   14.021   4.7150   16.655   6.8357   11.629   6.5120   75.496   17.147   63.248   18.123 12.24837 24.94878 
1 1 1  -38    4    9 o   85.938   10.748   20.881   4.8726   23.415   7.0851   18.607   6.7118   91.710   14.297   80.167   16.054 11.54285 21.49693 
1 1 1  -38    4   10 o   69.003   11.204   12.769   4.7363   24.619   7.0177   2.8556   6.4186   94.119   13.798   43.886   17.656 50.23363 22.40822 
1 1 1  -38    4   11 o  195.959   5.8068  104.479   6.1366  110.170   9.0323   99.599   8.3633  200.873   8.3213  191.046   8.1012 9.827423 11.61352 
1 1 1  -38    4   12 o  123.362   8.3255   42.238   5.5163   38.129   7.9519   46.051   7.6589  117.371   12.538  129.354   10.957 -11.98253 16.65102 
1 1 1  -38    4   13 o   81.296   14.203   19.758   6.2541   23.243   8.8123   16.221   8.8773   88.753   18.951   73.839   21.160 14.91337 28.40583 
1 1 1  -38    4   14 o  116.003   11.090   37.949   6.9246   35.653   10.023   40.045   9.5775  112.394   16.504  119.612   14.818 -7.217758 22.18002 
1 1 1  -38    4   15 o   92.149   14.160   25.306   7.0369   18.047   10.006   32.410   9.8984   77.402   22.548  106.897   17.136 -29.49475 28.32049 
1 1 1  -38    4   16 o  227.932   5.7326  141.914   7.0413  142.957   10.364  141.019   9.5963  228.617   8.3891  227.246   7.8148 1.370972 11.46511 
1 1 1  -38    4   17 o   61.411   16.557   8.5011   7.4644   11.315   12.057   6.7523   9.5048   66.581   24.893   56.241   21.838 10.33950 33.11398 
1 1 1  -38    4   18 o  281.162   8.2564  216.224   12.389  236.036   19.395  202.568   16.102  291.519   12.312  270.804   11.004 20.71481 16.51270 
1 1 1  -38    4   19 o   84.651   14.912   21.761   8.2447   3.0766   12.361   36.734   11.066   56.109   23.710  113.194   18.091 -57.08478 29.82367 
1 1 1  -38    4   20 o   60.681   13.496   10.605   5.0555   7.5391   7.3295   13.388   6.9824   54.246   19.554   67.116   18.606 -12.86942 26.99148 
1 1 1  -38    4   21 o   93.628   10.561   24.619   5.3312   26.558   7.8559   22.963   7.2585   97.017   14.985   90.239   14.886 6.778481 21.12185 
1 1 1  -38    4   22 o   45.139   12.904   2.7884   4.9870  -0.0250   7.1466   5.4585   6.9623   40.854   17.661   49.424   18.818 -8.570805 25.80770 
1 1 1  -38    4   23 o   42.866   12.238  -0.2753   4.8987   7.7857   7.2591  -7.0158   6.6380   54.390   19.475   31.343   14.824 23.04749 24.47522 
1 1 1  -38    4   24 o   68.275   13.528   13.965   5.1729   15.067   7.7103   13.062   6.9758   70.553   19.549   65.996   18.705 4.556839 27.05637 
1 1 1  -38    4   25 o   44.756   13.010   2.3417   5.0964   4.6521   7.4530   0.3126   6.9846   48.727   19.215   40.785   17.546 7.942760 26.02040 
1 1 1  -38    4   26 o   65.472   14.849   13.096   6.1211   15.979   7.6186   7.8446   10.281   72.572   19.149   58.372   22.699 14.20049 29.69744 
1 1 1  -38    4   27 o   99.378   12.939   28.997   6.5008   28.338   8.0830   30.203   10.939   99.725   15.000   99.032   21.088 0.6937180 25.87845 
1 1 1  -38    4   28 o   62.365   15.187   10.271   6.0888   15.854   10.111   7.0943   7.6267   71.585   23.024   53.146   19.812 18.43857 30.37465 
1 1 1  -38    4   29 o   54.954   14.303   6.0421   5.7924   13.764   9.2488   1.0589   7.4300   67.214   22.049   42.693   18.224 24.52109 28.60579 
1 1 1  -38    4   30 o   73.384   12.521   16.209   5.4961   6.6374   7.8009   25.642   7.7447   52.321   19.920   94.447   15.175 -42.12607 25.04139 
1 1 1  -38    4   31 o   48.014   12.477   2.3676   5.3268  -9.1912   7.8658   12.159   7.2396   32.916   15.728   63.112   19.372 -30.19591 24.95316 
1 1 1  -38    4   32 o   59.974   11.294   6.9942   5.5798 -12.2367   8.2381   23.294   7.5844   31.758   15.404   88.190   16.522 -56.43159 22.58893 
1 1 1  -38    4   33 o   78.182   15.817   19.725   6.8016   18.254   12.108   20.403   8.2214   75.145   25.247   81.219   19.060 -6.074753 31.63410 
1 1 1  -38    4   34 o   36.596   11.837  -9.2812   5.7271   2.6460   8.3906 -19.6852   7.8365   46.681   19.620   26.511   13.247 20.16912 23.67302 
1 1 1  -38    4   35 o   67.242   15.533   14.656   6.4810   16.371   7.8672   11.034   11.433   71.928   19.673   62.556   24.043 9.372074 31.06646 
1 1 1  -38    4   36 o   57.664   14.047   9.1334   5.7595   15.214   8.0789   2.8491   8.2131   69.081   20.300   46.247   19.423 22.83354 28.09499 
1 1 1  -38    4   37 f   51.303   14.452   5.6842   6.0960   8.4722   8.7468   3.0511   8.5005   55.690   21.119   46.916   19.735 8.773956 28.90444 
1 1 1  -38    4   38 o   88.511   13.276   25.450   6.4166   36.805   9.1103   14.273   9.0389  111.334   15.143   65.688   21.810 45.64558 26.55161 
1 1 1  -38    4   39 f   85.969   13.891   24.206   6.3150   21.923   9.2519   26.197   8.6410   81.032   20.968   90.906   18.225 -9.873505 27.78201 
1 1 1  -38    4   40 o   53.518   14.015   5.2860   6.3198  -5.0612   8.9537   15.559   8.9215   38.497   17.884   68.539   21.583 -30.04269 28.02958 
1 1 1  -38    4   41 o   56.037   15.293   8.6684   6.5621   9.1339   9.3814   8.2224   9.1824   56.865   21.798   55.209   21.456 1.656746 30.58643 
1 1 1  -38    4   42 o   46.989   14.157   3.4209   6.3265   4.7457   9.1103   2.1870   8.7922   48.895   20.491   45.084   19.539 3.810734 28.31402 
1 1 1  -38    4   43 o   59.298   15.738   9.0084   8.7834   24.752   11.617 -12.0068   13.421   78.221   24.627   40.375   19.601 37.84595 31.47536 
1 1 1  -38    4   44 o   34.317   17.164 -27.5225   13.300   0.0000   0.0000 -27.5225   13.300  ?   ?    34.317   17.164      ?      ? 
1 1 1  -38    4   46 o   84.392   17.321   31.329   9.5542   16.680   14.372   42.928   12.789   62.591   25.943  106.193   22.956 -43.60155 34.64128 
1 1 1  -38    5    1 o   93.386   9.4717   24.112   4.7562   25.163   7.1448   23.276   6.3736   95.108   13.902   91.663   12.868 3.445152 18.94332 
1 1 1  -38    5    2 o   62.022   12.854   11.032   4.5626   12.343   6.8997   10.013   6.0823   65.021   18.661   59.023   17.681 5.997791 25.70700 
1 1 1  -38    5    3 o   99.500   8.8799   27.024   4.7274   32.983   7.1086   22.299   6.3299  109.299   12.036   89.700   13.059 19.59972 17.75973 
1 1 1  -38    5    4 o   68.446   12.069   14.053   4.5607   9.4996   6.7926   17.790   6.1543   58.272   18.884   78.619   15.034 -20.34653 24.13816 
1 1 1  -38    5    5 f  108.681   8.6904   33.282   4.9969   27.204   7.3394   38.534   6.8221   98.948   13.727  118.415   10.662 -19.46632 17.38089 
1 1 1  -38    5    6 o  140.639   6.9659   53.405   5.2526   63.038   7.9889   46.069   6.9712  151.664   9.7480  129.614   9.9533 22.04951 13.93173 
1 1 1  -38    5    7 o   38.664   11.803  -0.3053   4.5177  -1.5751   6.6512   0.7823   6.1554   37.679   16.643   39.648   16.741 -1.969017 23.60672 
1 1 1  -38    5    8 o  151.961   6.6951   63.427   5.4678   61.290   8.0850   65.229   7.4228  149.474   10.010  154.447   8.8940 -4.973282 13.39028 
1 1 1  -38    5    9 o   45.312   12.589   1.5263   4.8636   8.2443   7.3616  -3.6775   6.4791   56.102   19.659   34.522   15.733 21.57921 25.17899 
1 1 1  -38    5   10 f  174.362   6.2277   82.877   5.8322   85.457   8.7991   80.855   7.7888  176.675   9.2167  172.049   8.3778 4.626526 12.45534 
1 1 1  -38    5   11 o   31.932   10.908 -11.6079   5.4843 -12.7887   7.0687  -9.8221   8.6928   28.454   13.904   35.409   16.810 -6.954689 21.81537 
1 1 1  -38    5   12 o  142.768   9.8166   56.314   7.5298   61.329   11.418   52.455   10.016  148.225   14.256  137.311   13.500 10.91473 19.63322 
1 1 1  -38    5   13 o  124.230   11.844   43.012   7.8911   49.640   12.069   38.063   10.429  132.427   16.866  116.034   16.633 16.39320 23.68790 
1 1 1  -38    5   14 o   45.651   13.945   0.5508   6.0546  -6.3784   11.618   3.1341   7.0940   45.493   20.859   45.810   18.515 -0.3171539 27.89076 
1 1 1  -38    5   15 o  428.577   6.3476  502.975   14.679  510.618   21.409  496.195   20.165  431.507   9.1819  425.647   8.7670 5.860260 12.69515 
1 1 1  -38    5   16 o   84.697   12.061   20.801   5.2834   22.850   8.1367   19.307   6.9472   88.117   17.703   81.277   16.384 6.839409 24.12112 
1 1 1  -38    5   17 o   95.947   14.158   34.254   6.6154   12.288   13.028   41.886   7.6791   68.895   25.852  122.999   11.554 -54.10454 28.31664 
1 1 1  -38    5   18 o  205.044   9.1204  113.677   9.9246  136.104   15.988   99.617   12.659  220.764   13.402  189.324   12.374 31.44057 18.24079 
1 1 1  -38    5   19 o   61.138   16.879   7.8794   7.9742   10.932   12.448   5.7545   10.385   66.235   25.176   56.041   22.489 10.19346 33.75756 
1 1 1  -38    5   20 o  182.569   6.4692   91.492   6.3632   92.191   9.3800   90.896   8.6609  183.105   9.4802  182.032   8.8049 1.072403 12.93832 
1 1 1  -38    5   21 o  115.543   8.9168   37.797   5.4786   31.944   8.0132   42.934   7.5073  106.621   13.908  124.464   11.162 -17.84293 17.83356 
1 1 1  -38    5   22 o   77.507   12.583   17.775   5.2092   23.009   7.6630   13.279   7.1028   88.449   16.644   66.565   18.877 21.88370 25.16675 
1 1 1  -38    5   23 o   97.152   11.155   28.562   5.4264   19.160   7.9884   36.617   7.3942   79.686   18.847  114.619   11.938 -34.93276 22.31038 
1 1 1  -38    5   24 f   84.057   12.338   20.606   5.5479   28.854   8.1984   13.638   7.5351  100.819   15.049   67.294   19.556 33.52505 24.67620 
1 1 1  -38    5   25 o  123.770   10.277   41.005   6.6764   33.238   8.3350   54.910   11.152  108.436   14.225  139.103   14.836 -30.66760 20.55400 
1 1 1  -38    5   26 o  180.336   8.2681   92.332   7.6781   96.608   9.6556   84.977   12.663  187.065   9.5521  173.606   13.498 13.45865 16.53619 
1 1 1  -38    5   27 o   48.927   13.614   3.1831   5.9645  -6.5586   9.4245   9.6919   7.7036   39.451   18.334   58.403   20.130 -18.95196 27.22816 
1 1 1  -38    5   28 o   53.547   14.696   6.5140   6.1814   2.1869   10.208   9.0193   7.7674   50.123   21.377   56.971   20.173 -6.848263 29.39250 
1 1 1  -38    5   29 o   38.957   12.339  -2.1334   5.3585  -2.8383   7.4778  -1.3895   7.6823   37.841   17.109   40.074   17.785 -2.232647 24.67804 
1 1 1  -38    5   30 o   56.555   14.368   8.6829   5.6436   11.044   8.1593   6.5169   7.8145   61.070   20.725   52.040   19.907 9.030201 28.73684 
1 1 1  -38    5   31 o   39.795   12.531  -2.4713   5.6121  -6.9560   8.0552   1.7589   7.8233   35.243   16.563   44.348   18.808 -9.105534 25.06162 
1 1 1  -38    5   32 o   54.073   13.636   6.8695   5.4532   0.9898   7.5638   13.234   7.8692   42.680   18.307   65.466   20.214 -22.78522 27.27190 
1 1 1  -38    5   33 o   66.794   14.874   13.710   6.0188   16.286   8.8308   11.475   8.2252   71.804   21.258   61.783   20.809 10.02116 29.74748 
1 1 1  -38    5   34 f   93.273   14.639   27.305   6.7351   26.959   12.567   27.444   7.9776   89.369   25.028   97.177   15.192 -7.808441 29.27784 
1 1 1  -38    5   35 o   69.274   13.874   15.398   5.9608   7.0414   8.8587   22.312   8.0578   53.672   21.015   84.875   18.120 -31.20275 27.74857 
1 1 1  -38    5   36 o   53.330   14.972   6.5760   6.5596   9.3052   8.2176   1.7831   10.890   56.873   20.673   49.788   21.662 7.084606 29.94386 
1 1 1  -38    5   37 o   97.137   12.833   29.442   6.5341   25.176   9.4369   33.370   9.0561   88.277   20.218  105.997   15.811 -17.71957 25.66610 
1 1 1  -38    5   38 o   59.833   15.158   10.971   6.4496   6.4803   9.1585   15.389   9.0842   52.037   21.036   67.629   21.831 -15.59158 30.31632 
1 1 1  -38    5   39 o   47.643   14.095   3.1740   6.2737   7.2619   8.7529  -1.1449   8.9969   52.988   20.846   42.299   18.976 10.68900 28.18951 
1 1 1  -38    5   40 o  170.968   8.0267   83.358   7.3716   73.184   10.397   93.640   10.453  159.921   12.032  182.015   10.628 -22.09427 16.05343 
1 1 1  -38    5   41 o   40.798   13.203  -3.1657   6.5377  -2.7376   9.4121  -3.5647   9.0880   41.543   18.944   40.053   18.395 1.489899 26.40545 
1 1 1  -38    5   42 o   59.475   16.631   11.173   7.6332   8.2617   9.4932   16.498   12.839   53.207   21.449   65.742   25.421 -12.53476 33.26099 
1 1 1  -38    5   43 o   68.520   18.245   19.379   9.2142   17.734   12.990   21.045   13.072   66.198   25.578   70.842   26.025 -4.643471 36.49011 
1 1 1  -38    5   44 o   46.288   22.125  -8.6374   15.593   0.0000   0.0000  -8.6374   15.593  ?   ?    46.288   22.125      ?      ? 
1 1 1  -38    5   45 o   47.457   15.229  -3.6221   9.7768 -27.4775   15.719   11.430   12.486   37.432   18.712   57.481   24.032 -20.04945 30.45786 
1 1 1  -38    6    1 o  224.013   5.5955  137.559   6.7142  131.911   10.065  142.088   9.0125  219.685   8.4786  228.341   7.3042 -8.656342 11.19097 
1 1 1  -38    6    2 o   76.768   11.963   17.069   4.7694   18.290   7.4585   16.224   6.2035   78.834   17.915   74.702   15.858 4.132210 23.92588 
1 1 1  -38    6    3 o  138.650   7.0446   51.335   5.2018   61.892   8.2473   44.361   6.7032  150.122   10.167  127.177   9.7541 22.94518 14.08913 
1 1 1  -38    6    4 o   32.075   10.439  -7.0919   4.6138 -17.1164   7.1883  -0.0689   6.0166   26.291   13.064   37.858   16.286 -11.56670 20.87800 
1 1 1  -38    6    5 o   80.585   18.174   19.123   7.7253   19.123   7.7253   0.0000   0.0000   80.585   18.174  ?   ?       ?      ? 
1 1 1  -38    6    6 f   85.866   11.228   22.202   4.9281   14.366   7.3047   28.749   6.6765   69.762   18.906  101.970   12.117 -32.20762 22.45533 
1 1 1  -38    6    7 o  187.262   6.0230   95.505   6.0701   99.472   9.0692   92.287   8.1698  190.699   8.8011  183.825   8.2247 6.873749 12.04593 
1 1 1  -38    6    8 o  110.824   8.8236   33.916   5.2458   34.853   7.9525   33.195   6.9798  112.026   13.137  109.621   11.783 2.405640 17.64719 
1 1 1  -38    6    9 o  179.301   6.3657   86.474   6.1119  100.703   9.4338   76.182   8.0235  191.763   9.1040  166.839   8.8997 24.92383 12.73136 
1 1 1  -38    6   10 o   60.032   14.797   9.5778   5.8617   8.5029   7.8159   10.959   8.8616   57.070   20.233   62.995   21.597 -5.925037 29.59380 
1 1 1  -38    6   11 o  160.293   8.9441   71.239   7.7430   74.414   11.135   68.266   10.774  163.771   12.582  156.815   12.715 6.955292 17.88818 
1 1 1  -38    6   12 o  115.745   11.746   38.939   6.9430   49.324   9.8469   28.671   9.7910  132.961   13.705   98.528   19.079 34.43323 23.49147 
1 1 1  -38    6   13 o  134.706   9.1521   48.372   6.3333   57.365   11.150   44.090   7.6950  143.089   14.421  126.324   11.273 16.76475 18.30423 
1 1 1  -38    6   14 o  190.461   9.4737   99.605   9.7502   99.605   9.7502   0.0000   0.0000  190.461   9.4737  ?   ?       ?      ? 
1 1 1  -38    6   15 o  103.917   9.7887   30.177   5.4063   30.369   8.4442   30.045   7.0378  103.875   15.044  103.959   12.528 -0.8425140E-01 19.57732 
1 1 1  -38    6   16 o   51.465   13.677   5.8864   5.0838   7.6984   8.0371   4.6778   6.5636   55.590   20.409   47.339   18.212 8.251438 27.35323 
1 1 1  -38    6   17 o  134.846   12.303   51.017   8.7410   56.081   14.266   47.973   11.060  139.438   18.934  130.254   15.714 9.184021 24.60507 
1 1 1  -38    6   18 o   75.289   17.200   17.373   8.2138   11.151   13.222   21.284   10.482   67.331   25.862   83.247   22.683 -15.91608 34.39988 
1 1 1  -38    6   19 o   73.683   17.588   14.333   8.3488   23.986   13.589   8.4797   10.581   87.157   26.500   60.210   23.133 26.94625 35.17684 
1 1 1  -38    6   20 o   41.480   12.613   0.1597   5.1445  -1.8190   7.5428   1.8807   7.0346   39.598   17.595   43.362   18.076 -3.764511 25.22568 
1 1 1  -38    6   21 o  184.432   6.5711   93.468   6.5101   95.086   9.7860   92.184   8.7195  185.689   9.7528  183.176   8.8092 2.513260 13.14227 
1 1 1  -38    6   22 o  109.107   9.7100   32.944   5.5970   43.913   8.4727   24.451   7.4552  125.330   12.511   92.885   14.853 32.44471 19.42002 
1 1 1  -38    6   23 o  359.998   6.0255  356.000   11.710  351.779   16.876  359.919   16.262  357.797   8.7287  362.198   8.3090 -4.401245 12.05110 
1 1 1  -38    6   24 o  127.363   9.9812   45.414   6.7691   43.514   8.7793   48.198   10.630  124.511   13.049  130.215   15.107 -5.703346 19.96238 
1 1 1  -38    6   25 o  119.978   10.599   40.238   6.7536   37.212   8.6609   44.932   10.788  114.726   13.971  125.230   15.942 -10.50364 21.19703 
1 1 1  -38    6   26 o   61.237   15.108   10.232   5.9189   12.903   10.053   8.8149   7.3226   66.217   22.986   56.258   19.613 9.958691 30.21615 
1 1 1  -38    6   27 o  134.654   9.4315   51.140   6.4527   51.599   11.204   50.912   7.8934  134.078   15.464  135.230   10.802 -1.152161 18.86298 
1 1 1  -38    6   28 o   59.558   14.282   10.341   5.5194   8.6977   8.0888   11.773   7.5501   56.579   20.519   62.536   19.872 -5.957336 28.56492 
1 1 1  -38    6   29 o   66.851   12.738   12.715   5.6926   0.8592   8.1185   24.182   7.9843   43.905   18.902   89.797   17.079 -45.89119 25.47506 
1 1 1  -38    6   30 o   40.827   12.568  -2.8245   5.6289   4.8504   8.0343 -10.2236   7.8887   49.464   19.805   32.191   15.479 17.27328 25.13641 
1 1 1  -38    6   31 o   66.186   12.693   12.644   5.6560   0.6820   8.1632   23.688   7.8440   43.648   18.872   88.723   16.980 -45.07449 25.38663 
1 1 1  -38    6   32 o   50.995   13.219   2.9883   5.8468  -8.2998   8.3169   14.018   8.2212   34.837   16.510   67.153   20.649 -32.31614 26.43808 
1 1 1  -38    6   33 o   70.223   14.122   15.403   5.6288   17.497   8.1820   13.521   7.7557   74.563   19.926   65.883   20.017 8.679916 28.24441 
1 1 1  -38    6   34 o   93.002   12.436   26.261   5.9819   28.140   9.0913   24.826   7.9436   95.568   18.271   90.436   16.876 5.132629 24.87183 
1 1 1  -38    6   35 o   70.582   16.640   13.784   6.6832   23.446   13.370   10.566   7.7163   82.085   26.483   59.078   20.154 23.00700 33.27947 
1 1 1  -38    6   36 f   47.042   13.874  -7.9817   6.7005 -20.4109   8.3734   14.146   11.173   27.444   13.710   66.641   24.124 -39.19704 27.74732 
1 1 1  -38    6   37 o  162.162   9.4706   75.607   8.1311   71.829   10.405   81.532   13.031  158.036   12.184  166.288   14.502 -8.251480 18.94120 
1 1 1  -38    6   38 o   78.224   20.692   20.358   8.8813   20.358   8.8813   0.0000   0.0000   78.224   20.692  ?   ?       ?      ? 
1 1 1  -38    6   39 o   71.358   15.444   16.949   6.6465   13.064   9.3853   20.857   9.4140   63.629   22.203   79.088   21.475 -15.45839 30.88883 
1 1 1  -38    6   40 o  127.504   10.326   47.369   7.0685   55.378   10.472   40.665   9.5804  137.691   14.074  117.318   15.112 20.37240 20.65102 
1 1 1  -38    6   41 o   36.531   12.204  -7.8352   6.4502  -2.8648   9.0105 -13.0594   9.2376   40.112   18.383   32.951   16.056 7.161499 24.40794 
1 1 1  -38    6   42 o   90.543   16.864   34.471   9.3847   46.036   12.373   18.806   14.400  114.445   20.773   66.642   26.572 47.80286 33.72803 
1 1 1  -38    6   43 o   52.257   16.464   4.1034   9.3547   3.3626   12.585   5.0180   13.984   50.789   22.638   53.725   23.911 -2.936512 32.92781 
1 1 1  -38    6   44 o   49.886   22.769   1.4101   13.638   0.0000   0.0000   1.4101   13.638  ?   ?    49.886   22.769      ?      ? 
1 1 1  -38    6   45 o   54.294   16.593   4.2679   10.092 -12.9865   14.433   20.775   14.117   40.845   19.940   67.742   26.527 -26.89612 33.18568 
1 1 1  -38    7    1 o  209.609   5.7613  120.491   6.4570  117.085   9.7911  123.112   8.5896  206.791   8.7622  212.427   7.4830 -5.635529 11.52261 
1 1 1  -38    7    2 o   80.777   11.607   19.765   4.8547   14.301   7.5771   23.570   6.3230   69.430   19.430   92.125   12.702 -22.69549 23.21341 
1 1 1  -38    7    3 o   58.515   13.425   9.1158   4.8015   12.608   7.7135   6.9068   6.1350   65.624   19.968   51.406   17.950 14.21758 26.85025 
1 1 1  -38    7    4 o  175.336   6.2314   83.541   5.8093   87.599   9.1564   80.806   7.5156  178.693   9.4826  171.980   8.0872 6.713089 12.46284 
1 1 1  -38    7    5 o  110.788   8.6224   34.516   5.0363   31.306   7.8138   36.797   6.5870  105.969   13.646  115.607   10.544 -9.638283 17.24490 
1 1 1  -38    7    6 o  102.480   9.2141   28.503   5.0266   36.442   7.7543   22.749   6.6015  114.607   12.521   90.354   13.521 24.25323 18.42819 
1 1 1  -38    7    7 o  151.742   7.1389   63.990   5.7512   59.091   8.7955   67.648   7.6015  146.334   11.123  157.150   8.9515 -10.81677 14.27773 
1 1 1  -38    7    8 o   43.158   12.776   1.3548   4.9951   2.9088   7.4387   0.0787   6.7409   46.216   18.856   40.100   17.244 6.116631 25.55187 
1 1 1  -38    7    9 o  178.114   8.2806   87.888   7.9599   84.482   11.381   91.149   11.137  174.605   12.063  181.624   11.347 -7.019836 16.56119 
1 1 1  -38    7   10 o  175.022   8.4065   84.757   7.9405   86.712   11.573   83.018   10.915  176.846   12.110  173.199   11.663 3.647278 16.81308 
1 1 1  -38    7   11 o  196.246   8.0724  106.791   8.5354   99.414   12.215  113.829   11.931  189.396   11.936  203.097   10.872 -13.70107 16.14479 
1 1 1  -38    7   12 o  155.409   7.1818   65.831   5.9606   70.677   9.2852   62.435   7.7738  160.056   10.736  150.762   9.5422 9.294083 14.36351 
1 1 1  -38    7   13 o   74.873   12.491   15.632   5.0573   24.303   7.9838   9.8209   6.5358   91.243   16.812   58.502   18.479 32.74098 24.98220 
1 1 1  -38    7   14 o  149.750   7.2275   61.938   5.8184   59.862   8.5886   63.699   7.9101  147.261   10.793  152.240   9.6153 -4.979126 14.45499 
1 1 1  -38    7   15 o  192.205   6.1956  100.020   6.3886  111.778   9.7779   91.262   8.4389  201.877   8.9633  182.533   8.5557 19.34422 12.39118 
1 1 1  -38    7   16 o   36.400   11.553  -2.6878   4.7805  -6.3973   7.5465  -0.2015   6.1782   34.826   16.259   37.973   16.419 -3.147732 23.10652 
1 1 1  -38    7   17 o   71.646   17.489   12.647   8.3233   23.559   13.678   6.2297   10.489   86.499   26.640   56.792   22.667 29.70709 34.97883 
1 1 1  -38    7   18 o   70.812   17.805   14.063   8.3330   15.748   13.792   13.095   10.458   74.038   26.803   67.587   23.445 6.451195 35.60952 
1 1 1  -38    7   19 o   46.980   14.059  -1.7922   6.3143  -7.6583   7.9677   8.1126   10.353   34.824   16.400   59.136   22.839 -24.31171 28.11705 
1 1 1  -38    7   20 o  157.981   7.3621   70.025   6.1845   61.280   9.2089   77.209   8.3468  148.471   11.478  167.491   9.2223 -19.01929 14.72423 
1 1 1  -38    7   21 o   92.885   11.181   25.035   5.3860   24.335   8.3259   25.538   7.0630   90.523   17.655   95.247   13.723 -4.723976 22.36118 
1 1 1  -38    7   22 o  184.294   6.6578   93.168   6.5929   97.451   9.9492   89.815   8.8031  187.903   9.7987  180.684   9.0163 7.219193 13.31566 
1 1 1  -38    7   23 o   44.544   13.220   0.3943   5.5323   5.8655   8.3908  -3.8132   7.3581   52.412   20.472   36.675   16.734 15.73740 26.44072 
1 1 1  -38    7   24 o   60.599   15.325   10.078   6.2813   9.5914   8.1918   10.773   9.7855   58.774   20.727   62.425   22.580 -3.651165 30.65019 
1 1 1  -38    7   25 o   78.806   13.316   18.442   5.6034   23.769   8.5650   14.456   7.4090   88.730   18.464   68.882   19.191 19.84798 26.63149 
1 1 1  -38    7   26 o  230.926   7.1409  145.970   8.4427  154.054   14.629  141.934   10.338  234.745   11.533  227.106   8.4240 7.639267 14.28187 
1 1 1  -38    7   27 o   38.652   12.095  -4.1097   5.4698 -12.4819   7.9594   3.3821   7.5293   30.933   15.035   46.372   18.951 -15.43936 24.19056 
1 1 1  -38    7   28 o   43.562   13.177   0.8787   5.5447   3.0173   8.0483  -1.0533   7.6498   46.780   19.403   40.343   17.833 6.437611 26.35354 
1 1 1  -38    7   29 f   34.626   11.434  -8.0248   5.3556  -1.0265   8.0960 -13.4699   7.1413   41.405   18.322   27.847   13.683 13.55832 22.86738 
1 1 1  -38    7   30 o   38.879   12.288  -2.0666   5.3611  -5.6181   8.2140   0.5690   7.0760   36.857   17.125   40.901   17.628 -4.044624 24.57643 
1 1 1  -38    7   31 o   83.088   12.941   21.713   5.8745   13.180   8.5912   29.207   8.0508   65.428   21.241  100.748   14.788 -35.31995 25.88172 
1 1 1  -38    7   32 o   45.256   12.625  -1.0286   5.4084   10.925   8.0967 -10.6592   7.2675   60.489   20.644   30.024   14.540 30.46578 25.25064 
1 1 1  -38    7   33 o   97.913   11.982   28.662   6.0988   36.414   8.9431   21.923   8.3387  112.015   14.775   83.812   18.867 28.20292 23.96374 
1 1 1  -38    7   34 o   67.398   14.740   14.477   5.9141   14.886   8.4432   14.083   8.2867   68.233   20.917   66.563   20.775 1.669846 29.48051 
1 1 1  -38    7   35 o   43.453   14.179  -3.4416   7.0309  -6.6959   13.617  -2.2587   8.2099   47.096   21.938   39.809   17.969 7.287609 28.35783 
1 1 1  -38    7   36 o   54.501   16.071   4.6065   7.2393   12.588   13.475   1.3680   8.5833   64.564   25.716   44.438   19.283 20.12565 32.14261 
1 1 1  -38    7   37 o   52.758   15.705   5.5264   7.4542   5.4227   9.4402   5.6982   12.148   50.876   21.051   54.641   23.313 -3.764378 31.41071 
1 1 1  -38    7   38 o   80.798   16.471   20.284   7.5408   13.527   9.3411   32.928   12.777   64.375   22.168   97.222   24.368 -32.84731 32.94284 
1 1 1  -38    7   39 o   58.708   14.660   8.0408   6.5963   18.971   9.7456  -1.2000   8.9609   75.078   22.356   42.338   18.970 32.74025 29.31959 
1 1 1  -38    7   40 o   61.954   14.460   11.177   6.4966   20.605   9.0760   1.2698   9.3034   78.466   20.994   45.441   19.890 33.02471 28.91984 
1 1 1  -38    7   41 o   39.640   13.481  -8.6109   7.8607  -9.0990   9.6024  -7.6194   13.687   35.579   17.100   43.701   20.844 -8.122356 26.96118 
1 1 1  -38    7   42 o   59.189   17.312   11.887   9.2366   15.356   12.106   7.0563   14.288   63.454   24.644   54.924   24.320 8.529518 34.62355 
1 1 1  -38    7   43 o   37.986   13.138 -16.0586   8.9938 -14.3851   12.628 -17.7815   12.813   38.640   18.816   37.332   18.340 1.308651 26.27606 
1 1 1  -38    7   44 o   54.291   16.959   6.3159   10.406  -5.2162   15.969   14.827   13.718   47.079   22.472   61.503   25.407 -14.42365 33.91874 
1 1 1  -38    8    1 o   68.076   12.359   12.814   4.7992   21.020   7.3962   6.8453   6.3073   84.743   16.746   51.409   18.181 33.33324 24.71749 
1 1 1  -38    8    2 o   48.998   13.181   4.8813   4.7845   7.3650   7.5235   3.1947   6.1996   54.250   19.772   43.746   17.438 10.50311 26.36256 
1 1 1  -38    8    3 o   74.193   11.839   14.520   4.9751   26.681   7.9223   6.6014   6.3928   97.374   15.056   51.011   18.275 46.36259 23.67875 
1 1 1  -38    8    4 o  220.832   7.5992  133.150   9.0681   0.0000   0.0000  133.150   9.0681  ?   ?   220.832   7.5992      ?      ? 
1 1 1  -38    8    5 o  109.852   9.0230   32.566   5.2568   38.999   8.4902   28.567   6.6944  118.251   13.287  101.453   12.211 16.79807 18.04594 
1 1 1  -38    8    6 o  196.349   9.2998  105.812   9.8671  105.812   9.8671   0.0000   0.0000  196.349   9.2998  ?   ?       ?      ? 
1 1 1  -38    8    7 o   55.710   14.157   6.4689   6.1736  -2.7117   9.2867   13.739   8.2640   43.313   19.366   68.106   20.656 -24.79298 28.31463 
1 1 1  -38    8    8 o  152.589   9.2762   64.301   7.6106   73.536   11.369   56.802   10.245  162.485   12.948  142.692   13.287 19.79308 18.55249 
1 1 1  -38    8    9 o   63.707   15.606   11.050   6.6143   14.014   9.5918   8.3626   9.1331   69.113   22.444   58.300   21.691 10.81292 31.21271 
1 1 1  -38    8   10 o  236.636   6.8769  153.660   8.3089  154.842   14.328  153.060   10.199  236.652   11.205  236.620   7.9764 0.3228760E-01 13.75377 
1 1 1  -38    8   11 o   87.630   11.923   23.916   5.3048   15.328   8.2783   29.900   6.9101   71.523   20.413  103.738   12.327 -32.21461 23.84628 
1 1 1  -38    8   12 o  121.310   9.0685   42.835   5.6566   32.364   8.6961   50.515   7.4474  107.197   15.013  135.422   10.177 -28.22496 18.13708 
1 1 1  -38    8   13 o   51.039   13.503   6.0984   4.9950   5.8661   7.5654   6.2779   6.6506   51.410   19.606   50.668   18.571 0.7414589 27.00502 
1 1 1  -38    8   14 o   79.923   12.404   19.197   5.2574   15.330   8.1379   21.968   6.8878   71.440   20.187   88.407   14.418 -16.96742 24.80722 
1 1 1  -38    8   15 o   68.611   13.109   12.881   5.1229   21.001   8.1550   7.5874   6.5841   83.922   18.482   53.299   18.596 30.62321 26.21888 
1 1 1  -38    8   16 o   82.391   12.515   20.175   5.3603   19.973   8.2009   20.325   7.0826   81.550   18.968   83.233   16.331 -1.683113 25.02961 
1 1 1  -38    8   17 o   87.869   16.781   20.418   8.4780   40.293   14.425   9.9302   10.479  113.588   24.240   62.150   23.212 51.43812 33.56189 
1 1 1  -38    8   18 o   82.010   17.605   21.623   8.5761   16.532   14.128   24.595   10.792   75.015   27.131   89.005   22.443 -13.99019 35.21089 
1 1 1  -38    8   19 o  118.384   11.944   41.925   7.1309   47.234   9.3338   34.482   11.052  129.692   13.319  107.077   19.831 22.61504 23.88834 
1 1 1  -38    8   20 o   46.970   13.355   1.5435   5.4166   8.7368   8.5177  -3.3404   7.0185   57.701   21.036   36.238   16.460 21.46299 26.71088 
1 1 1  -38    8   21 o   76.902   13.587   17.778   5.5530   18.800   8.7511   17.090   7.1847   78.343   20.452   75.460   17.892 2.882538 27.17356 
1 1 1  -38    8   22 o   56.937   14.450   8.6762   5.6090   8.9371   8.6177   8.4845   7.3880   58.063   21.161   55.811   19.683 2.251701 28.90001 
1 1 1  -38    8   23 f   94.097   13.853   26.450   6.7757   22.799   8.9502   31.351   10.371   86.433   19.613  101.761   19.570 -15.32729 27.70665 
1 1 1  -38    8   24 o   51.830   14.001   5.1804   5.9323  -1.5779   8.8139   10.778   8.0212   42.817   19.023   60.844   20.549 -18.02743 28.00267 
1 1 1  -38    8   25 o  190.577   7.8796  103.604   7.6317   94.054   12.876  108.777   9.4755  182.531   13.054  198.624   8.8284 -16.09300 15.75929 
1 1 1  -38    8   26 o   41.400   12.810  -0.8134   5.4283   1.9194   8.2948  -2.8605   7.1791   45.813   19.394   36.988   16.740 8.824768 25.61941 
1 1 1  -38    8   27 o   36.569   11.928  -4.9608   5.4460  -2.7644   8.2139  -6.6836   7.2748   39.807   17.971   33.332   15.689 6.475452 23.85554 
1 1 1  -38    8   28 o   46.927   13.734   3.1086   5.6783   4.4011   8.3546   1.9989   7.7411   49.323   20.038   44.530   18.787 4.793468 27.46734 
1 1 1  -38    8   29 o   76.148   13.335   17.687   5.8396   27.409   8.4993   8.9939   8.0371   95.533   17.092   56.763   20.474 38.77018 26.67025 
1 1 1  -38    8   30 o   38.084   12.098  -4.0078   5.4358   1.8554   7.7556  -9.6690   7.6209   44.339   18.761   31.830   15.281 12.50921 24.19678 
1 1 1  -38    8   31 o   72.682   13.837   16.803   5.6487   13.071   8.4817   19.778   7.5723   65.016   21.105   80.348   17.899 -15.33226 27.67314 
1 1 1  -38    8   32 o   77.841   14.356   19.140   6.1043   21.964   9.0352   16.768   8.2796   83.108   20.295   72.575   20.311 10.53293 28.71281 
1 1 1  -38    8   33 o   61.057   14.438   11.042   6.0243   4.8023   8.7724   16.612   8.2875   50.073   20.459   72.041   20.377 -21.96783 28.87528 
1 1 1  -38    8   34 o   57.325   14.167   8.9735   6.0623   0.6824   9.1887   15.364   8.0671   45.333   19.807   69.316   20.261 -23.98271 28.33417 
1 1 1  -38    8   35 o   50.920   14.579   5.1765   6.2818   8.8988   9.4007   2.1733   8.4438   56.551   21.785   45.289   19.382 11.26247 29.15877 
1 1 1  -38    8   36 o   84.154   16.716   24.014   7.2994   26.667   14.402   23.096   8.4676   83.697   27.517   84.612   18.987 -0.9150238 33.43192 
1 1 1  -38    8   37 o   92.566   16.830   25.755   7.6417   40.563   15.285   20.820   8.8237  105.611   26.753   79.521   20.426 26.08977 33.65932 
1 1 1  -38    8   38 o   66.447   16.959   13.423   7.7092   9.3988   9.8180   19.894   12.450   57.683   22.251   75.212   25.600 -17.52884 33.91830 
1 1 1  -38    8   39 o   44.972   14.311  -1.7420   7.4952   2.9021   9.4949  -9.4212   12.209   47.933   20.534   42.010   19.938 5.922321 28.62121 
1 1 1  -38    8   40 o   55.282   14.962   8.3211   6.8610   0.2037   9.9402   15.707   9.4819   44.310   19.908   66.254   22.342 -21.94412 29.92453 
1 1 1  -38    8   41 o   44.725   14.792  -2.8040   8.8946  -2.6396   12.299  -2.9842   12.879   44.449   20.753   45.002   21.084 -0.5535774 29.58393 
1 1 1  -38    8   42 o   52.558   16.148   2.9199   9.1001   13.394   12.919  -7.3964   12.821   62.135   25.031   42.981   20.408 19.15323 32.29568 
1 1 1  -38    8   43 o   47.146   15.572 -10.1466   8.0636   17.162   16.682 -18.4726   9.2112   64.859   27.483   29.434   14.652 35.42497 31.14486 
1 1 1  -38    8   44 o   52.601   16.577   6.6309   9.7392   1.1025   14.955   10.703   12.834   49.254   22.959   55.947   23.918 -6.692547 33.15384 
1 1 1  -38    9    1 o   35.799   11.333  -6.6737   4.7901   2.9568   7.4818 -13.3634   6.2356   46.256   18.896   25.342   12.516 20.91408 22.66511 
1 1 1  -38    9    2 o   49.547   13.152   5.6060   4.8325   3.0077   7.6013   7.3685   6.2606   46.613   19.044   52.481   18.144 -5.867157 26.30377 
1 1 1  -38    9    3 o  107.962   9.2732   32.335   5.2557   33.282   8.5509   31.761   6.6628  108.836   14.540  107.088   11.514 1.747581 18.54642 
1 1 1  -38    9    4 o  139.387   7.5230   53.177   5.5911   56.249   8.7394   51.049   7.2746  142.567   11.344  136.208   9.8837 6.359192 15.04593 
1 1 1  -38    9    5 o   78.937   14.202   19.559   6.2398   12.811   9.7265   24.279   8.1342   66.853   22.628   91.020   17.168 -24.16734 28.40338 
1 1 1  -38    9    6 o  115.510   11.072   37.844   6.8255   45.180   9.7800   30.878   9.5303  126.899   14.262  104.121   16.939 22.77806 22.14346 
1 1 1  -38    9    7 o   64.069   15.094   11.579   6.1298   13.777   9.0650   9.7275   8.3204   68.356   21.781   59.783   20.902 8.573154 30.18789 
1 1 1  -38    9    8 o   66.396   13.376   9.8456   5.5671   23.964   9.2972   1.9537   6.9510   89.386   19.773   43.405   18.020 45.98177 26.75223 
1 1 1  -38    9    9 o  101.151   10.421   29.942   5.3414   25.201   8.2938   33.302   6.9821   92.731   17.184  109.570   11.792 -16.83858 20.84144 
1 1 1  -38    9   10 o   34.764   11.348  -4.6821   4.9081  -6.4397   7.8159  -3.5377   6.3066   35.570   16.586   33.957   15.493 1.613197 22.69667 
1 1 1  -38    9   11 o  104.691   9.7734   31.007   5.3871   29.321   8.4948   32.141   6.9674  101.820   15.439  107.562   11.987 -5.741844 19.54672 
1 1 1  -38    9   12 o   70.980   13.013   15.881   5.3077   8.4248   8.3768   20.882   6.8607   57.236   20.862   84.725   15.559 -27.48901 26.02535 
1 1 1  -38    9   13 o   94.635   11.009   25.130   5.4568   30.182   8.5001   21.588   7.1170  103.264   15.233   86.007   15.899 17.25771 22.01889 
1 1 1  -38    9   14 o   40.122   12.396  -2.4490   5.1789   3.4018   8.0838  -6.5222   6.7449   48.080   19.641   32.164   15.129 15.91672 24.79258 
1 1 1  -38    9   15 o   73.586   11.748   13.786   5.1852   29.360   8.2525   3.6281   6.6651  101.799   15.002   45.374   18.082 56.42476 23.49533 
1 1 1  -38    9   16 o   46.075   14.198   0.7258   6.2196 -14.4302   14.445   4.1750   6.8911   45.342   21.568   46.808   18.470 -1.465511 28.39560 
1 1 1  -38    9   17 o  150.970   12.022   62.063   9.5098   80.968   16.033   51.802   11.812  167.364   17.728  134.576   16.243 32.78862 24.04426 
1 1 1  -38    9   18 o   75.635   17.595   18.003   8.6045   10.572   14.488   22.052   10.695   67.238   26.702   84.032   22.919 -16.79430 35.18940 
1 1 1  -38    9   19 o   35.027   11.522  -5.7765   5.2517  -5.0282   7.8290  -6.3887   7.0813   36.779   16.958   33.275   15.604 3.504208 23.04464 
1 1 1  -38    9   20 o   38.600   12.113  -3.9950   5.2564   2.8527   7.9048  -9.4233   7.0380   46.675   19.284   30.526   14.663 16.14916 24.22571 
1 1 1  -38    9   21 o   61.896   14.310   11.318   5.5619   9.2186   8.4056   12.954   7.4180   58.262   20.947   65.530   19.502 -7.267738 28.62023 
1 1 1  -38    9   22 f  113.471   12.830   40.737   7.1059   50.523   9.3087   27.072   11.000  134.010   12.855   92.931   22.209 41.07829 25.66059 
1 1 1  -38    9   23 o   88.053   21.862   24.347   10.354   0.0000   0.0000   24.347   10.354  ?   ?    88.053   21.862      ?      ? 
1 1 1  -38    9   24 o   45.658   13.651   1.7963   5.8703  -4.1802   10.162   4.7891   7.1914   43.214   19.698   48.102   18.904 -4.887455 27.30133 
1 1 1  -38    9   25 o   53.457   14.051   6.3481   5.6034   11.639   8.4340   2.1670   7.4974   62.537   21.071   44.377   18.593 18.16067 28.10166 
1 1 1  -38    9   26 o   99.802   10.617   28.318   5.6919   32.521   8.5948   25.035   7.5964  106.344   14.957   93.260   15.074 13.08421 21.23492 
1 1 1  -38    9   27 o   66.214   14.305   13.562   5.8503   8.5025   8.5818   17.955   7.9963   56.446   21.021   75.982   19.406 -19.53613 28.60939 
1 1 1  -38    9   28 o   72.841   14.328   16.936   6.0374   11.856   9.0229   21.054   8.1240   62.958   21.781   82.725   18.623 -19.76738 28.65672 
1 1 1  -38    9   29 o   96.506   12.373   29.239   6.0675   19.372   9.0119   37.421   8.2060   78.283   20.909  114.728   13.236 -36.44498 24.74623 
1 1 1  -38    9   30 f   39.658   12.082  -4.4107   5.6318 -18.5510   8.6766   5.8839   7.4033   29.295   14.521   50.022   19.315 -20.72689 24.16456 
1 1 1  -38    9   31 o  132.681   9.2629   51.182   6.5049   41.795   9.4816   59.529   8.9408  120.095   14.611  145.267   11.390 -25.17188 18.52575 
1 1 1  -38    9   32 o   40.214   12.786  -2.2582   5.8479   0.0231   8.3591  -4.4449   8.1840   42.850   18.802   37.578   17.331 5.271751 25.57108 
1 1 1  -38    9   33 o   60.769   13.767   7.7872   6.1932   22.078   9.4211  -3.0884   8.2185   82.564   21.052   38.975   17.745 43.58845 27.53325 
1 1 1  -38    9   34 o  145.313   8.8148   59.323   6.8457   71.552   10.623   50.638   8.9524  157.849   12.454  132.777   12.478 25.07210 17.62953 
1 1 1  -38    9   35 o   63.668   15.304   12.561   6.4047   18.560   9.8253   8.1279   8.4457   73.463   22.571   53.872   20.675 19.59066 30.60883 
1 1 1  -38    9   36 f   54.949   14.855   8.1393   6.3405   4.1732   9.1472   11.807   8.7967   48.952   20.525   60.945   21.480 -11.99251 29.70949 
1 1 1  -38    9   37 o   55.191   15.309   6.4698   7.7964 -12.2996   14.340   14.345   9.2891   44.267   21.176   66.114   22.115 -21.84651 30.61789 
1 1 1  -38    9   38 o   70.662   27.616   16.946   15.277   16.946   15.277   0.0000   0.0000   70.662   27.616  ?   ?       ?      ? 
1 1 1  -38    9   39 o   36.527   12.505 -13.4199   7.7879  -6.4321   9.9134 -24.6847   12.587   38.715   18.251   34.338   17.099 4.377182 25.00938 
1 1 1  -38    9   40 o   72.441   26.266   22.613   13.253   22.613   13.253   0.0000   0.0000   72.441   26.266  ?   ?       ?      ? 
1 1 1  -38    9   41 o   80.361   16.724   22.233   9.8755   45.405   14.247   0.8029   13.701  110.748   24.460   49.973   22.814 60.77500 33.44799 
1 1 1  -38    9   42 o   44.832   14.532  -7.2058   7.6306   11.169   13.367 -16.0886   9.2938   58.789   24.739   30.876   15.255 27.91336 29.06391 
1 1 1  -38    9   43 o   53.847   16.431   4.5781   10.257 -17.2545   16.191   19.214   13.256   41.363   20.379   66.332   25.780 -24.96858 32.86195 
1 1 1  -38   10    1 o  154.730   10.787   66.248   9.0193   66.248   9.0193   0.0000   0.0000  154.730   10.787  ?   ?       ?      ? 
1 1 1  -38   10    2 o   44.174   13.188   1.0821   5.4642  -1.2973   7.6480   3.5631   7.8096   40.545   17.881   47.802   19.390 -7.257900 26.37586 
1 1 1  -38   10    3 o   50.343   13.695   3.5823   5.9752  -5.9414   9.1655   10.622   7.8799   39.669   18.311   61.017   20.368 -21.34862 27.38905 
1 1 1  -38   10    4 o  116.273   10.632   38.815   6.4464   35.541   10.301   40.923   8.2649  111.424   17.108  121.123   12.628 -9.699493 21.26394 
1 1 1  -38   10    5 o   45.010   13.510   0.8377   5.8759  -4.3266   9.3531   4.2050   7.5524   41.674   18.957   48.345   19.254 -6.670700 27.02017 
1 1 1  -38   10    6 o   39.768   12.171  -1.3882   5.1761 -10.3198   8.7123   3.4840   6.4348   34.849   16.624   44.688   17.780 -9.838768 24.34139 
1 1 1  -38   10    7 o   71.171   21.013   15.293   8.6382   15.293   8.6382   0.0000   0.0000   71.171   21.013  ?   ?       ?      ? 
1 1 1  -38   10    8 o  166.526   6.8627   73.866   6.0682   91.424   9.7349   62.709   7.7603  182.113   9.8925  150.939   9.5146 31.17476 13.72547 
1 1 1  -38   10    9 o   82.840   12.372   19.722   5.3011   24.683   8.4031   16.443   6.8322   91.336   17.665   74.343   17.327 16.99290 24.74427 
1 1 1  -38   10   10 o  141.077   8.0640   55.825   5.9117   53.048   9.6536   57.492   7.4778  137.682   12.976  144.473   9.5785 -6.791153 16.12800 
1 1 1  -38   10   11 o   39.154   12.282  -1.7500   5.2099  -5.6795   8.4101   0.6971   6.6367   37.829   17.489   40.479   17.250 -2.649780 24.56473 
1 1 1  -38   10   12 o  124.350   8.6702   43.200   5.6731   42.908   9.0912   43.386   7.2602  123.544   13.618  125.156   10.735 -1.612175 17.34047 
1 1 1  -38   10   13 o   94.043   11.378   24.931   5.4945   36.155   8.4711   16.780   7.2190  113.311   13.835   74.775   18.068 38.53595 22.75647 
1 1 1  -38   10   14 o  143.940   7.8185   57.896   5.9910   54.910   9.1541   60.133   7.9236  140.305   12.074  147.575   9.9363 -7.270065 15.63691 
1 1 1  -38   10   15 o   90.400   11.957   22.926   5.6364   29.164   9.0813   19.018   7.1886  100.818   16.670   79.982   17.148 20.83573 23.91468 
1 1 1  -38   10   16 o   86.142   18.082   23.825   8.7979   21.806   15.433   24.797   10.708   82.953   28.498   89.331   22.263 -6.377312 36.16328 
1 1 1  -38   10   17 f  159.006   12.749   75.920   10.124   65.360   17.231   81.486   12.511  147.899   21.561  170.112   13.610 -22.21352 25.49716 
1 1 1  -38   10   18 o   67.099   13.802   12.622   6.8551   24.385   8.8332  -5.1892   10.870   89.985   18.773   44.214   20.236 45.77151 27.60347 
1 1 1  -38   10   19 o   55.364   13.952   7.6766   5.3184   11.633   8.1373   4.7260   7.0270   62.832   20.685   47.896   18.727 14.93529 27.90318 
1 1 1  -38   10   20 o  102.735   10.503   30.055   5.8104   30.477   8.6011   29.700   7.8804  103.187   15.426  102.283   14.258 0.9042358 21.00560 
1 1 1  -38   10   21 o   53.130   14.955   5.5155   6.4247   3.6747   8.5820   7.8626   9.6905   49.034   20.158   57.225   22.097 -8.190620 29.91020 
1 1 1  -38   10   22 o   60.136   15.499   9.8747   6.5606   8.2362   9.1475   11.610   9.4146   57.046   21.606   63.225   22.227 -6.179256 30.99791 
1 1 1  -38   10   23 o   89.720   13.438   21.614   6.3039   36.667   10.961   14.175   7.7057  111.558   18.183   67.883   19.791 43.67411 26.87570 
1 1 1  -38   10   24 o   44.727   13.565   1.1211   5.8980  -3.9977   10.045   3.8143   7.2862   42.977   19.587   46.477   18.772 -3.500359 27.12985 
1 1 1  -38   10   25 o  102.265   11.456   32.159   5.8572   22.948   8.7806   39.543   7.8620   86.150   19.336  118.380   12.290 -32.23043 22.91166 
1 1 1  -38   10   26 o   53.001   14.247   6.8944   5.6087   8.1844   8.4567   5.8813   7.4940   55.715   20.844   50.286   19.428 5.429310 28.49428 
1 1 1  -38   10   27 o   61.408   14.742   10.561   5.9133   15.507   9.0794   6.9172   7.7927   70.199   21.719   52.617   19.939 17.58250 29.48328 
1 1 1  -38   10   28 o   42.203   13.077  -2.6934   5.8445   4.8529   9.1185  -7.9551   7.6142   51.259   20.891   33.146   15.735 18.11373 26.15376 
1 1 1  -38   10   29 o  143.337   8.6327   57.705   6.6536   62.939   10.035   53.600   8.8881  148.949   12.468  137.725   11.943 11.22421 17.26533 
1 1 1  -38   10   30 o   72.862   14.353   17.232   6.0724   11.950   9.0127   21.624   8.2177   62.480   21.760   83.244   18.723 -20.76369 28.70587 
1 1 1  -38   10   31 o  110.474   10.459   35.619   6.1874   34.533   9.2899   36.484   8.2950  108.364   15.865  112.585   13.635 -4.221069 20.91899 
1 1 1  -38   10   32 o   47.024   14.079   2.7328   6.1654   3.3461   9.0994   2.2122   8.3830   48.455   20.402   45.592   19.407 2.862598 28.15776 
1 1 1  -38   10   33 o   51.836   14.730   6.1413   6.4027   3.3076   9.5501   8.4550   8.6293   48.655   20.712   55.018   20.950 -6.363243 29.45983 
1 1 1  -38   10   34 o   59.258   15.267   10.979   6.4979   7.4029   9.9626   13.627   8.5721   54.287   21.942   64.229   21.235 -9.941574 30.53471 
1 1 1  -38   10   35 o   44.527   13.912  -1.4552   6.6518   5.5412   10.281  -6.4929   8.7238   52.417   21.851   36.638   17.225 15.77877 27.82405 
1 1 1  -38   10   36 o   49.247   14.459   3.9126   6.5995  -2.0589   10.367   7.9811   8.5574   44.322   20.082   54.173   20.806 -9.850376 28.91702 
1 1 1  -38   10   37 o   37.295   12.433  -7.6104   6.5871 -11.9320   9.8212  -4.0768   8.8807   35.392   17.082   39.199   18.070 -3.806644 24.86547 
1 1 1  -38   10   38 f   78.769   17.953   23.085   8.3074   24.595   15.416   22.468   9.8617   77.632   28.301   79.906   22.097 -2.274422 35.90587 
1 1 1  -38   10   39 o   45.428   21.365  -3.4009   13.440   0.0000   0.0000  -3.4009   13.440  ?   ?    45.428   21.365      ?      ? 
1 1 1  -38   10   40 o   36.978   18.292 -21.2590   13.506 -21.2590   13.506   0.0000   0.0000   36.978   18.292  ?   ?       ?      ? 
1 1 1  -38   10   41 o   66.575   17.906   14.940   9.8028   28.581   14.289   2.8108   13.474   82.127   27.428   51.023   23.027 31.10387 35.81216 
1 1 1  -38   10   42 o   38.737   12.682  -6.3319   6.8507 -18.6374   10.026   4.4442   9.3825   30.847   15.344   46.627   20.196 -15.78037 25.36421 
1 1 1  -38   11    1 o   75.892   14.553   17.152   6.1303   21.831   9.3676   13.646   8.1074   84.423   20.694   67.360   20.466 17.06279 29.10540 
1 1 1  -38   11    2 o  116.218   10.860   38.233   6.7583   39.640   10.343   37.185   8.9279  117.728   16.258  114.709   14.403 3.019104 21.72073 
1 1 1  -38   11    3 o   97.252   13.437   29.807   6.7047   19.820   10.322   37.095   8.8180   79.871   22.794  114.632   14.236 -34.76122 26.87401 
1 1 1  -38   11    4 o  152.878   8.2700   64.075   6.3130   67.658   11.469   62.517   7.5618  155.069   13.687  150.686   9.2868 4.382843 16.53991 
1 1 1  -38   11    5 o  103.020   10.570   31.473   5.4406   26.216   8.6674   34.892   6.9890   94.036   17.707  112.003   11.548 -17.96652 21.13958 
1 1 1  -38   11    6 o  127.985   8.4711   45.979   5.7570   43.750   8.8767   47.597   7.5634  124.884   13.154  131.085   10.678 -6.200890 16.94219 
1 1 1  -38   11    7 o   47.224   13.413   3.8730   5.1847   2.5138   8.2734   4.7519   6.6530   47.062   19.609   47.386   18.306 -0.3246460 26.82601 
1 1 1  -38   11    8 o   72.440   13.293   15.349   5.1608   18.625   8.2886   13.275   6.5953   78.294   19.628   66.585   17.931 11.70918 26.58526 
1 1 1  -38   11    9 o  189.617   6.5388   98.571   6.5692  101.127   10.417   96.883   8.4644  191.317   10.077  187.916   8.3358 3.401291 13.07751 
1 1 1  -38   11   10 o   90.321   11.720   23.707   5.4498   23.881   8.7316   23.596   6.9753   89.197   18.713   91.444   14.116 -2.247307 23.44005 
1 1 1  -38   11   11 o  139.471   8.1020   54.363   5.8817   53.049   9.6386   55.142   7.4242  137.565   12.966  141.377   9.7181 -3.812286 16.20397 
1 1 1  -38   11   12 o   95.623   12.097   30.565   5.5922   15.299   8.9938   40.187   7.1402   70.904   21.559  120.341   10.980 -49.43730 24.19401 
1 1 1  -38   11   13 o  143.807   8.1847   60.034   6.0699   45.265   9.2539   71.186   8.0415  126.846   13.501  160.767   9.2566 -33.92120 16.36943 
1 1 1  -38   11   14 o   88.993   11.746   22.177   5.4479   28.447   8.7864   18.260   6.9438   99.615   16.323   78.371   16.894 21.24375 23.49133 
1 1 1  -38   11   15 o   58.058   14.327   9.4179   5.4457   8.0511   9.0998   10.180   6.7972   57.083   21.567   59.033   18.866 -1.949699 28.65363 
1 1 1  -38   11   16 o   40.072   13.592 -16.4018   8.8468 -41.8694   16.323  -5.8086   10.527   37.307   18.711   42.836   19.719 -5.529015 27.18355 
1 1 1  -38   11   17 o   91.778   18.424   24.317   9.2724   39.775   16.391   17.043   11.244  109.476   27.689   74.081   24.313 35.39570 36.84824 
1 1 1  -38   11   18 o   38.193   12.216  -3.9796   5.3976   0.3000   8.2846  -7.1361   7.1149   43.806   18.976   32.580   15.390 11.22533 24.43259 
1 1 1  -38   11   19 o   59.219   14.522   9.7845   5.6548   12.060   8.5782   8.0356   7.5200   63.666   21.252   54.772   19.797 8.894180 29.04393 
1 1 1  -38   11   20 o   60.009   13.092   6.1698   5.8286   21.833   9.0507  -4.9293   7.6188   83.953   20.197   36.065   16.664 47.88778 26.18390 
1 1 1  -38   11   21 o   63.518   14.724   10.118   6.4857   1.8036   8.7045   20.495   9.7245   46.511   19.786   80.524   21.810 -34.01315 29.44758 
1 1 1  -38   11   22 o   35.264   11.913  -8.9358   5.9836 -11.6351   10.489  -7.6336   7.2853   37.991   18.156   32.537   15.430 5.454128 23.82671 
1 1 1  -38   11   23 o   68.140   15.408   14.308   6.2030   14.356   10.766   14.285   7.5892   68.352   23.784   67.929   19.593 0.4227066 30.81533 
1 1 1  -38   11   24 o   64.953   14.611   13.075   5.7959   11.297   8.8983   14.386   7.6384   61.833   21.616   68.074   19.663 -6.240829 29.22176 
1 1 1  -38   11   25 o   40.163   12.603  -1.3827   5.4999  -4.5490   8.5262   0.8738   7.1976   38.687   17.786   41.638   17.859 -2.951370 25.20511 
1 1 1  -38   11   26 o   36.281   11.966  -6.2775   5.6967  -3.8654   8.6518  -8.1236   7.5690   39.672   18.119   32.889   15.635 6.782940 23.93178 
1 1 1  -38   11   27 o   87.091   13.557   23.534   6.1232   23.274   9.6089   23.712   7.9454   85.669   20.935   88.513   17.232 -2.844353 27.11443 
1 1 1  -38   11   28 o  112.038   11.509   36.015   6.5122   53.036   10.140   24.069   8.4956  135.831   13.816   88.245   18.412 47.58560 23.01863 
1 1 1  -38   11   29 o  113.245   10.542   37.400   6.3557   36.950   9.8018   37.727   8.3488  111.913   16.208  114.578   13.485 -2.664894 21.08408 
1 1 1  -38   11   30 o   38.586   12.565  -5.2731   6.0949  -0.8351   9.0069  -9.0219   8.2781   43.272   19.228   33.899   16.180 9.373478 25.13006 
1 1 1  -38   11   31 o   76.592   13.752   18.409   6.1650   28.890   8.9917   9.1117   8.4690   96.708   17.864   56.476   20.912 40.23207 27.50381 
1 1 1  -38   11   32 o   90.291   13.948   26.641   6.5277   24.771   10.237   27.923   8.4741   85.715   21.993   94.866   17.163 -9.150230 27.89682 
1 1 1  -38   11   33 o   45.206   13.898  -0.3193   6.5418   6.9148   9.8212  -6.0885   8.7706   53.442   21.720   36.971   17.346 16.47167 27.79609 
1 1 1  -38   11   34 o   46.824   14.368   1.6049   6.8566  -2.2695   10.324   4.6629   9.1715   43.915   19.954   49.733   20.678 -5.817654 28.73516 
1 1 1  -38   11   35 o   88.967   22.780   26.772   10.999   26.772   10.999   0.0000   0.0000   88.967   22.780  ?   ?       ?      ? 
1 1 1  -38   11   36 o   35.524   12.081 -11.4971   6.8941 -17.3120   10.504  -7.0965   9.1377   33.879   16.636   37.168   17.522 -3.289703 24.16162 
1 1 1  -38   11   37 o   65.141   16.436   14.910   7.2682   17.103   10.957   13.186   9.7131   68.347   23.981   61.936   22.482 6.411358 32.87141 
1 1 1  -38   11   38 o   69.402   18.891   21.013   10.065   18.687   14.705   23.063   13.806   66.273   26.702   72.530   26.730 -6.257004 37.78241 
1 1 1  -38   11   39 o   67.355   25.610   17.468   12.884   0.0000   0.0000   17.468   12.884  ?   ?    67.355   25.610      ?      ? 
1 1 1  -38   11   40 o   34.210   16.534 -10.2526   9.2792   0.0000   0.0000 -10.2526   9.2792  ?   ?    34.210   16.534      ?      ? 
1 1 1  -38   11   41 o   56.760   16.420   11.455   8.3110   14.870   10.256   4.9234   14.185   61.821   22.988   51.699   23.451 10.12173 32.83956 
1 1 1  -38   12    1 o   45.309   12.784   2.3042   5.3344  -9.2162   9.4484   7.6945   6.4630   37.498   17.720   53.121   18.431 -15.62315 25.56725 
1 1 1  -38   12    2 o   49.211   13.768   3.6718   5.2677   8.4283   8.9761   1.1731   6.5058   57.640   21.492   40.782   17.215 16.85848 27.53687 
1 1 1  -38   12    3 o   99.459   11.261   29.109   5.5862   26.926   9.2752   30.352   6.9977   94.746   18.780  104.171   12.431 -9.424843 22.52189 
1 1 1  -38   12    4 o   59.374   13.906   10.295   5.2082   7.6135   8.6847   11.801   6.5085   55.851   21.077   62.897   18.146 -7.045818 27.81176 
1 1 1  -38   12    5 o  143.829   8.0834   58.018   6.0881   55.532   9.7789   59.591   7.7797  140.743   12.858  146.916   9.7996 -6.172684 16.16670 
1 1 1  -38   12    6 o  249.867   6.1951  173.495   8.2266  159.648   12.524  184.005   10.911  240.552   9.6348  259.182   7.7904 -18.63026 12.39029 
1 1 1  -38   12    7 f  187.296   10.431   97.136   10.557   97.136   10.557   0.0000   0.0000  187.296   10.431  ?   ?       ?      ? 
1 1 1  -38   12    8 o  129.989   8.5438   46.028   5.9179   54.486   9.3709   40.417   7.6324  139.557   12.426  120.422   11.729 19.13534 17.08760 
1 1 1  -38   12    9 o   91.845   11.981   23.583   5.7183   30.433   9.3263   19.457   7.2386  102.837   16.783   80.854   17.102 21.98279 23.96143 
1 1 1  -38   12   10 o   99.730   10.874   27.652   5.7206   31.623   9.3671   25.290   7.2243  104.892   16.526   94.567   14.137 10.32525 21.74809 
1 1 1  -38   12   11 o   42.184   12.629  -0.0624   5.3901  -8.4063   8.7804   4.9834   6.8280   36.334   17.143   48.034   18.549 -11.70026 25.25721 
1 1 1  -38   12   12 o   50.737   13.896   3.7052   5.4992   10.934   9.0870  -0.4721   6.9077   62.089   21.837   39.386   17.192 22.70291 27.79202 
1 1 1  -38   12   13 o   58.111   13.314   9.6565   5.3066   2.0817   8.3976   14.692   6.8468   46.500   19.590   69.721   18.037 -23.22084 26.62895 
1 1 1  -38   12   14 o   64.496   14.271   11.780   5.5616   16.972   8.7251   8.2260   7.2181   74.073   20.893   54.919   19.446 19.15351 28.54239 
1 1 1  -38   12   15 f   69.215   18.645   13.417   9.5687   8.1081   17.059   15.854   11.558   66.521   27.968   71.909   24.664 -5.387726 37.28972 
1 1 1  -38   12   16 o   66.261   18.029   11.570   9.4680   0.9545   16.820   16.493   11.455   59.655   26.403   72.866   24.557 -13.21072 36.05768 
1 1 1  -38   12   17 o   53.686   15.369   5.0240   7.1895   9.1508   9.2297  -1.3435   11.465   58.691   21.812   48.680   21.659 10.01102 30.73876 
1 1 1  -38   12   18 o   92.816   12.530   26.216   5.9902   22.687   9.3383   28.684   7.8083   85.386   20.499  100.245   14.415 -14.85833 25.05949 
1 1 1  -38   12   19 o   61.622   14.844   10.828   5.7826   13.326   9.4211   9.3178   7.3247   66.230   22.271   57.014   19.630 9.215511 29.68702 
1 1 1  -38   12   20 o   85.820   15.255   22.743   7.1149   17.357   9.4350   29.842   10.833   74.059   21.984   97.581   21.155 -23.52242 30.50968 
1 1 1  -38   12   21 o   34.250   11.514  -8.4335   5.7292  -9.5774   8.8964  -7.6229   7.4888   35.410   16.866   33.090   15.678 2.320217 23.02785 
1 1 1  -38   12   22 o   55.701   15.009   7.9858   6.1528   5.3131   10.783   9.2760   7.4921   54.554   22.530   56.848   19.837 -2.294212 30.01841 
1 1 1  -38   12   23 o   50.938   13.722   4.8064   5.9343  -4.3988   9.2106   11.340   7.7595   40.530   18.579   61.345   20.200 -20.81551 27.44464 
1 1 1  -38   12   24 o   61.426   14.373   10.099   5.8971   17.664   8.9210   4.2274   7.8591   74.727   21.143   48.125   19.475 26.60208 28.74576 
1 1 1  -38   12   25 o   56.740   13.290   7.0662   5.9914  -5.8488   8.9361   17.613   8.0754   38.464   17.868   75.016   19.677 -36.55230 26.57933 
1 1 1  -38   12   26 o  128.349   9.5974   47.313   6.5950   46.349   9.9483   48.069   8.8087  126.639   14.538  130.060   12.534 -3.420570 19.19480 
1 1 1  -38   12   27 f   57.035   13.630   8.2947   6.0915  -4.1185   9.5396   16.841   7.9155   41.193   18.892   72.877   19.651 -31.68386 27.25950 
1 1 1  -38   12   28 o   77.411   14.206   17.804   6.3559   30.018   9.9088   9.2657   8.2848   97.926   19.412   56.896   20.746 41.02939 28.41151 
1 1 1  -38   12   29 o   46.798   13.916   3.0013   5.9633   2.2763   8.9229   3.5864   8.0166   46.745   19.963   46.851   19.393 -0.1059418 27.83200 
1 1 1  -38   12   30 o   93.898   13.519   28.724   6.6551   21.132   9.9810   34.801   8.9300   79.261   22.342  108.535   15.226 -29.27384 27.03744 
1 1 1  -38   12   31 o   42.622   13.572  -1.7943   6.5180   1.6553   10.015  -4.3294   8.5851   47.143   20.636   38.100   17.634 9.043518 27.14397 
1 1 1  -38   12   32 o   42.793   13.623  -1.1865   6.5010  -1.2554   10.307  -1.1410   8.3777   44.701   20.160   40.884   18.329 3.816380 27.24608 
1 1 1  -38   12   33 o   38.993   12.821  -8.3012   6.9958 -19.6085   10.511   0.6906   9.3733   32.814   16.214   45.172   19.864 -12.35862 25.64106 
1 1 1  -38   12   34 f  197.551   10.085  109.803   10.766   0.0000   0.0000  109.803   10.766  ?   ?   197.551   10.085      ?      ? 
1 1 1  -38   12   35 o   42.982   13.468  -2.1439   6.7744 -13.5912   10.897   5.0682   8.6491   36.642   17.759   49.322   20.252 -12.67974 26.93523 
1 1 1  -38   12   36 o   62.670   16.432   13.734   7.4163   17.609   11.123   10.633   9.9509   68.213   24.141   57.127   22.299 11.08633 32.86424 
1 1 1  -38   12   37 o   47.859   15.637  -0.3794   9.5853  -4.8716   13.868   3.7297   13.263   45.074   21.350   50.644   22.852 -5.569973 31.27333 
1 1 1  -38   12   38 o   41.410   14.130 -11.8959   9.5057  -9.0315   13.487 -14.7230   13.399   43.014   20.565   39.806   19.384 3.207520 28.26032 
1 1 1  -38   12   39 o   66.826   17.666   15.736   8.2936   25.225   14.181   10.802   10.225   76.659   27.245   56.993   22.496 19.66628 35.33157 
1 1 1  -38   12   40 o   66.604   17.538   7.8327   8.2556   43.243   17.138  -2.8673   9.4207   93.991   29.948   39.217   18.261 54.77405 35.07598 
1 1 1  -38   13    1 o   60.672   13.116   10.855   5.4614   0.8297   8.7190   17.328   7.0060   45.474   19.583   75.870   17.452 -30.39605 26.23143 
1 1 1  -38   13    2 o   58.730   13.449   10.214   5.3446   2.4643   8.9336   14.534   6.6699   48.093   20.230   69.366   17.728 -21.27341 26.89878 
1 1 1  -38   13    3 o   57.284   13.151   9.3043   5.3668  -0.4308   8.8844   14.898   6.7344   44.333   19.420   70.235   17.739 -25.90172 26.30263 
1 1 1  -38   13    4 o  145.608   7.8760   57.571   6.0989   67.637   9.7399   51.079   7.8223  155.635   11.581  135.581   10.677 20.05481 15.75205 
1 1 1  -38   13    5 o   75.150   13.723   18.039   5.7756   11.852   9.0749   22.251   7.4879   63.683   21.854   86.617   16.602 -22.93409 27.44522 
1 1 1  -38   13    6 o  112.874   10.627   38.999   5.8439   27.415   9.0954   47.144   7.6265   95.553   18.281  130.195   10.840 -34.64127 21.25371 
1 1 1  -38   13    7 f  108.049   11.129   35.531   5.8865   27.948   9.5338   40.204   7.4833   96.104   19.032  119.994   11.541 -23.89077 22.25769 
1 1 1  -38   13    8 o  198.157   6.8179  107.274   7.0975  114.141   11.618  103.185   8.9650  202.677   10.608  193.637   8.5679 9.040131 13.63575 
1 1 1  -38   13    9 o   55.886   14.307   8.4678   5.5555   5.2295   9.5278   10.136   6.8382   53.032   21.449   58.740   18.938 -5.708099 28.61369 
1 1 1  -38   13   10 o  100.942   11.607   29.846   5.8420   29.596   9.8987   29.980   7.2367   98.757   19.241  103.126   12.986 -4.368774 23.21309 
1 1 1  -38   13   11 o   52.087   14.199   6.3078   5.5574   4.5555   9.3617   7.2613   6.9059   51.716   21.133   52.458   18.970 -0.7415390 28.39793 
1 1 1  -38   13   12 o   34.438   11.537  -7.4228   5.4703  -9.7173   9.3321  -6.2217   6.7519   36.615   17.393   32.262   15.163 4.352898 23.07431 
1 1 1  -38   13   13 o   66.089   12.549   13.904   5.4839   0.9176   8.8471   22.007   6.9883   45.747   19.714   86.431   15.534 -40.68402 25.09834 
1 1 1  -38   13   14 o   49.009   15.925  -5.7502   6.7725   7.3986   17.234  -8.1517   7.3651   65.630   27.878   32.387   15.404 33.24292 31.85089 
1 1 1  -38   13   15 o  100.600   18.807   32.893   10.069   37.680   16.833   30.225   12.566  104.609   28.845   96.591   24.142 8.017876 37.61471 
1 1 1  -38   13   16 o   57.135   17.725   1.5812   9.9360   5.2815   17.198  -0.2725   12.173   63.396   27.402   50.874   22.492 12.52182 35.45050 
1 1 1  -38   13   17 o  114.005   10.633   34.943   6.1214   53.793   10.223   24.406   7.6432  137.409   13.768   90.600   16.207 46.80914 21.26550 
1 1 1  -38   13   18 o   89.265   13.354   24.886   6.1591   21.277   10.025   27.075   7.8063   81.537   22.169   96.992   14.894 -15.45478 26.70761 
1 1 1  -38   13   19 o  107.469   13.104   34.935   7.3896   38.716   10.356   31.014   10.548  115.041   16.659   99.897   20.234 15.14349 26.20899 
1 1 1  -38   13   20 o   40.547   13.287  -5.9517   6.9224  -6.6942   9.6230  -5.1554   9.9655   39.485   18.409   41.608   19.166 -2.123325 26.57492 
1 1 1  -38   13   21 o   78.513   15.283   20.196   6.4322   16.685   12.159   21.560   7.5797   72.561   25.274   84.465   17.191 -11.90398 30.56661 
1 1 1  -38   13   22 o   73.453   15.086   16.198   6.1929   21.406   10.255   13.208   7.7697   81.516   22.530   65.389   20.068 16.12683 30.17159 
1 1 1  -38   13   23 o   83.654   13.992   21.631   6.1374   23.501   9.6814   20.375   7.9357   86.038   21.007   81.270   18.487 4.767860 27.98311 
1 1 1  -38   13   24 o   34.335   11.568 -10.7002   5.7638  -2.9661   9.1079 -15.8666   7.4439   41.419   18.790   27.250   13.498 14.16885 23.13513 
1 1 1  -38   13   25 o   58.969   14.924   10.291   6.1332   6.9599   9.7296   12.488   7.9005   54.700   21.832   63.238   20.353 -8.537579 29.84760 
1 1 1  -38   13   26 o   53.234   12.375   2.7587   6.1334 -19.6602   9.6394   18.009   7.9504   31.043   15.373   75.424   19.397 -44.38167 24.75068 
1 1 1  -38   13   27 o   90.395   13.515   25.043   6.2622   28.609   10.148   22.851   7.9582   94.737   20.424   86.053   17.705 8.683830 27.02983 
1 1 1  -38   13   28 o   53.503   14.908   7.0115   6.2567   8.4575   9.7636   6.0040   8.1500   56.420   22.070   50.587   20.047 5.833031 29.81565 
1 1 1  -38   13   29 o  109.078   11.472   34.681   6.6512   43.700   10.572   28.773   8.5567  120.418   16.247   97.739   16.201 22.67835 22.94472 
1 1 1  -38   13   30 o   39.265   12.884  -7.5882   6.5455   1.9188   10.261 -14.1102   8.4992   47.822   20.912   30.707   15.056 17.11563 25.76777 
1 1 1  -38   13   31 o   40.187   13.137  -5.7569   6.5115   0.8270   10.554  -9.8031   8.2738   47.397   20.949   32.977   15.856 14.41925 26.27302 
1 1 1  -38   13   32 o  163.287   13.942   77.774   12.302   77.774   12.302   0.0000   0.0000  163.287   13.942  ?   ?       ?      ? 
1 1 1  -38   13   33 o   45.615   13.801  -0.4107   6.7956 -12.2155   10.583   7.8710   8.8645   36.968   17.814   54.263   21.084 -17.29565 27.60204 
1 1 1  -38   13   34 o   65.385   15.842   14.716   7.0667   9.1922   10.881   18.747   9.2935   57.111   22.984   73.658   21.808 -16.54633 31.68366 
1 1 1  -38   13   35 o   41.549   13.650  -8.1301   8.2117   5.2153   10.851 -26.0135   12.562   49.942   21.676   33.156   16.598 16.78587 27.30075 
1 1 1  -38   13   36 o   54.618   16.763   7.7032   9.1846   5.6081   14.208   9.2072   12.038   53.623   23.966   55.613   23.444 -1.990711 33.52581 
1 1 1  -38   13   37 f   69.132   17.169   15.401   9.2857   0.6716   12.835   31.577   13.450   48.892   22.228   89.373   26.173 -40.48142 34.33806 
1 1 1  -38   13   38 o   69.586   17.371   19.210   7.9863   20.516   13.213   18.458   10.025   69.822   26.068   69.350   22.966 0.4725266 34.74133 
1 1 1  -38   13   39 o   40.343   13.236  -2.4187   6.9850  -6.6346   10.731   0.6811   9.2012   38.620   18.431   42.065   19.002 -3.444725 26.47219 
1 1 1  -38   14    1 o   48.803   13.312   4.8582   5.3132  -1.4821   8.6339   8.7229   6.7407   42.324   18.815   55.282   18.837 -12.95835 26.62383 
1 1 1  -38   14    2 o   94.781   12.079   27.143   5.7648   24.397   9.4265   28.783   7.2861   88.783   20.115  100.779   13.379 -11.99669 24.15785 
1 1 1  -38   14    3 o   45.717   13.357   2.8045   5.4268  -1.2268   8.9458   5.1520   6.8264   43.372   19.223   48.062   18.550 -4.690147 26.71336 
1 1 1  -38   14    4 o   64.551   13.624   9.9625   5.5040   22.253   9.1853   3.0771   6.8750   84.630   20.338   44.472   18.134 40.15746 27.24852 
1 1 1  -38   14    5 o   89.237   12.544   24.216   5.7758   21.399   9.1465   26.085   7.4489   82.879   20.530   95.594   14.420 -12.71533 25.08804 
1 1 1  -38   14    6 o  152.120   8.1363   66.897   6.4302   54.423   9.9387   75.879   8.4330  138.645   13.266  165.595   9.4242 -26.94948 16.27269 
1 1 1  -38   14    7 o   76.352   13.714   18.761   5.6477   14.180   9.4695   21.290   7.0360   67.969   22.312   84.735   15.952 -16.76647 27.42752 
1 1 1  -38   14    8 o   79.292   13.647   19.631   5.6630   17.972   9.4172   20.571   7.0877   75.524   21.838   83.060   16.374 -7.536011 27.29478 
1 1 1  -38   14    9 o  114.326   10.013   36.692   6.0472   40.035   9.7834   34.625   7.6928  117.948   15.350  110.703   12.860 7.244377 20.02504 
1 1 1  -38   14   10 o   38.750   12.472  -3.2516   5.5335  -3.1724   9.1263  -3.2977   6.9585   41.670   18.865   35.830   16.319 5.840336 24.94399 
1 1 1  -38   14   11 o   66.357   14.321   11.467   5.7549   21.713   9.6400   5.7943   7.1735   82.942   21.375   49.772   19.065 33.16937 28.64208 
1 1 1  -38   14   12 o   71.367   14.701   14.915   5.8757   20.638   9.8100   11.713   7.3375   80.556   21.942   62.179   19.572 18.37671 29.40263 
1 1 1  -38   14   13 o   43.141   12.444  -0.7436   5.6525 -17.2578   9.5990   8.0228   6.9937   32.414   15.914   53.868   19.134 -21.45407 24.88745 
1 1 1  -38   14   14 o   64.676   18.404   3.9399   9.9989   23.806   17.387  -5.8761   12.222   83.470   30.113   45.882   21.167 37.58832 36.80780 
1 1 1  -38   14   15 o  126.315   17.500   52.382   11.022   48.536   18.814   54.392   13.601  117.549   29.629  135.081   18.633 -17.53262 35.00093 
1 1 1  -38   14   16 o   75.112   12.932   17.903   6.2428   3.2879   9.4492   29.224   8.3162   49.687   20.848  100.538   15.308 -50.85078 25.86470 
1 1 1  -38   14   17 o   48.464   13.655   0.0735   5.8225   12.162   9.5465  -7.0867   7.3472   63.806   22.385   33.122   15.644 30.68414 27.30985 
1 1 1  -38   14   18 o   44.618   14.109  -2.0725   7.0346   0.6134   9.8071  -4.9189   10.096   47.100   20.524   42.136   19.365 4.964046 28.21790 
1 1 1  -38   14   19 o   41.756   13.363  -6.5422   6.8132 -14.8691   9.2801   3.1937   10.035   32.894   16.043   50.618   21.375 -17.72393 26.72541 
1 1 1  -38   14   20 o   56.725   15.540   7.6987   6.5162   9.9662   11.135   6.5176   8.0360   61.309   23.683   52.141   20.126 9.167404 31.07945 
1 1 1  -38   14   21 o  112.073   12.097   35.031   7.0344   45.225   12.206   29.961   8.6076  122.822   18.391  101.325   15.721 21.49686 24.19447 
1 1 1  -38   14   22 o   93.972   13.119   27.598   6.3963   23.868   9.8861   30.283   8.3887   86.025   21.364  101.920   15.232 -15.89476 26.23801 
1 1 1  -38   14   23 o   71.146   15.442   16.218   6.4460   17.821   9.9318   15.051   8.4731   73.697   22.701   68.594   20.941 5.102585 30.88486 
1 1 1  -38   14   24 o   41.215   13.178  -2.9853   6.4084  -8.2542   9.9594   0.7375   8.3717   38.674   18.250   43.755   19.015 -5.081039 26.35612 
1 1 1  -38   14   25 o   82.761   13.706   23.523   6.4696   11.309   10.355   31.343   8.2859   61.843   23.079  103.679   14.790 -41.83561 27.41143 
1 1 1  -38   14   26 o   60.562   15.508   11.185   6.4379   11.067   10.374   11.259   8.2100   60.950   23.027   60.174   20.779 0.7761345 31.01653 
1 1 1  -38   14   27 o   66.834   12.768   13.960   6.4878  -6.3424   10.364   27.041   8.3193   40.412   18.927   93.255   17.141 -52.84273 25.53533 
1 1 1  -38   14   28 o   77.205   15.166   18.530   6.6504   29.502   10.848   11.923   8.4179   93.566   21.851   60.844   21.039 32.72257 30.33297 
1 1 1  -38   14   29 o   52.476   14.031   0.7872   6.6141   17.792   10.203 -11.5367   8.6862   72.109   23.122   32.843   15.903 39.26685 28.06241 
1 1 1  -38   14   30 o   43.034   19.828  -4.1563   10.676  -4.1563   10.676   0.0000   0.0000   43.034   19.828  ?   ?       ?      ? 
1 1 1  -38   14   31 o   95.917   22.883   31.027   11.694   31.027   11.694   0.0000   0.0000   95.917   22.883  ?   ?       ?      ? 
1 1 1  -38   14   32 o   47.317   14.308  -2.4203   6.8073   11.847   11.209 -10.7574   8.5684   61.682   23.780   32.952   15.917 28.73041 28.61526 
1 1 1  -38   14   33 o   79.233   15.640   21.915   7.0544   30.455   10.925   15.807   9.2387   92.272   22.184   66.194   22.053 26.07752 31.28050 
1 1 1  -38   14   34 o   58.054   16.710   8.2484   9.6048  -8.4369   14.063   22.838   13.150   43.205   20.747   72.904   26.201 -29.69844 33.42026 
1 1 1  -38   14   35 o   60.854   17.803   12.225   9.5076   14.315   14.170   10.514   12.822   63.284   25.946   58.424   24.383 4.860634 35.60518 
1 1 1  -38   14   36 o   48.333   15.638  -2.9185   9.4369   8.5586   13.945 -12.6149   12.818   56.892   24.632   39.774   19.273 17.11724 31.27641 
1 1 1  -38   14   37 o   34.530   11.916 -11.8356   7.1010 -12.4533   11.221 -11.4231   9.1707   36.276   17.681   32.783   15.980 3.492779 23.83227 
1 1 1  -38   15    1 o   45.686   13.215   0.1760   5.4994   9.1857   8.7324  -5.7460   7.0797   57.812   21.266   33.560   15.694 24.25254 26.42992 
1 1 1  -38   15    2 o   43.444   13.204   1.1060   5.5043  -0.8550   9.0153   2.2715   6.9501   43.739   19.345   43.149   17.975 0.5897942 26.40749 
1 1 1  -38   15    3 o   56.959   14.562   8.6452   5.5890   11.064   9.2596   7.2588   7.0099   61.668   22.005   52.251   19.079 9.416779 29.12398 
1 1 1  -38   15    4 o   47.686   13.334   0.7736   5.4999   11.406   8.9217  -5.7435   6.9849   62.083   21.648   33.288   15.574 28.79519 26.66813 
1 1 1  -38   15    5 o   52.966   13.931   5.3599   5.4268   12.956   8.9635   0.9642   6.8185   65.087   21.724   40.846   17.447 24.24102 27.86263 
1 1 1  -38   15    6 o   43.879   13.349   1.0401   5.6040   1.1406   8.9698   0.9758   7.1770   46.011   19.839   41.746   17.868 4.265083 26.69882 
1 1 1  -38   15    7 o   53.291   14.182   7.2127   5.6876   2.6211   9.5371   9.7472   7.0855   49.004   20.773   57.577   19.314 -8.573700 28.36478 
1 1 1  -38   15    8 o   64.889   14.357   11.235   5.7215   20.196   9.4264   6.0075   7.1994   79.709   21.424   50.070   19.119 29.63937 28.71455 
1 1 1  -38   15    9 o   59.276   13.345   10.134   5.7708  -1.8039   9.4557   17.221   7.2849   43.683   19.536   74.870   18.187 -31.18661 26.69073 
1 1 1  -38   15   10 o   46.210   13.757   2.5244   5.7352   1.4561   9.3765   3.1630   7.2494   47.211   20.320   45.209   18.549 2.001095 27.51304 
1 1 1  -38   15   11 o   47.033   12.668   0.8810   5.8301 -16.2283   9.4189   11.508   7.4230   32.475   15.907   61.590   19.719 -29.11499 25.33508 
1 1 1  -38   15   12 o   78.919   14.504   18.542   6.1097   24.900   10.122   14.899   7.6631   88.607   21.385   69.231   19.599 19.37666 29.00729 
1 1 1  -38   15   13 o   76.114   20.300   16.400   10.604   25.901   19.468   12.392   12.645   85.941   31.729   66.288   25.331 19.65282 40.60051 
1 1 1  -38   15   14 o   96.914   20.657   30.115   11.098   43.919   19.914   23.896   13.366  109.505   31.783   84.323   26.395 25.18262 41.31464 
1 1 1  -38   15   15 o   57.895   16.577   6.1115   7.7980   2.8342   9.6930   12.124   13.129   49.543   20.969   66.246   25.681 -16.70266 33.15443 
1 1 1  -38   15   16 o   96.683   12.860   28.434   6.3866   26.957   10.174   29.393   8.2044   92.489   20.855  100.877   15.051 -8.388359 25.71911 
1 1 1  -38   15   17 o   45.877   14.087   0.8234   6.3437   1.7542   10.151   0.2270   8.1258   48.900   21.094   42.853   18.677 6.046844 28.17464 
1 1 1  -38   15   18 o  173.093   9.0484   84.916   8.4429   78.331   11.501   92.613   12.434  165.824   12.835  180.363   12.758 -14.53943 18.09673 
1 1 1  -38   15   19 o  137.893   10.226   52.083   7.1854   64.324   12.931   46.615   8.6424  147.810   16.190  127.975   12.497 19.83482 20.45259 
1 1 1  -38   15   20 o  136.624   10.898   53.226   7.4335   58.423   13.558   50.991   8.8886  139.359   18.004  133.888   12.286 5.470612 21.79621 
1 1 1  -38   15   21 o   39.706   12.899  -4.0639   6.2823  -6.9756   9.9896  -2.1589   8.0801   39.736   18.602   39.676   17.876 0.6008530E-01 25.79833 
1 1 1  -38   15   22 o   67.364   14.925   12.388   6.5011   23.996   10.298   4.6966   8.3826   85.508   22.120   49.219   20.042 36.28914 29.84904 
1 1 1  -38   15   23 o   59.233   15.370   9.0205   6.5238   16.096   10.393   4.4195   8.3806   69.855   23.392   48.612   19.945 21.24342 30.74006 
1 1 1  -38   15   24 o  136.503   9.8297   53.419   7.1560   60.359   11.271   48.732   9.2626  143.314   14.554  129.692   13.217 13.62128 19.65942 
1 1 1  -38   15   25 o   48.341   14.564   2.1509   6.6448   8.2378   10.616  -1.7698   8.5202   56.197   22.672   40.486   18.287 15.71137 29.12829 
1 1 1  -38   15   26 o   53.950   15.253   7.4987   6.6226   6.3961   10.941   8.1364   8.3201   54.098   22.546   53.801   20.551 0.2969704 30.50658 
1 1 1  -38   15   27 o   52.269   15.151   6.0199   6.8352   3.3340   10.990   7.7143   8.7288   50.804   21.932   53.734   20.910 -2.929615 30.30238 
1 1 1  -38   15   28 o   41.124   13.384  -3.7061   6.6920  -4.4809   10.799  -3.2232   8.5264   43.014   19.863   39.234   17.945 3.780205 26.76814 
1 1 1  -38   15   29 o  131.749   16.981   52.413   12.089   52.413   12.089   0.0000   0.0000  131.749   16.981  ?   ?       ?      ? 
1 1 1  -38   15   30 o   61.688   15.422   9.9566   6.8886   20.859   10.748   2.3559   8.9742   77.208   23.588   46.167   19.875 31.04042 30.84494 
1 1 1  -38   15   31 o   63.572   15.035   14.444   6.6919   5.8805   11.040   19.418   8.4137   52.046   22.215   75.098   20.264 -23.05164 30.06946 
1 1 1  -38   15   32 o   34.986   12.166 -16.2927   8.0949 -11.7172   10.950 -21.8063   12.020   36.355   17.662   33.616   16.735 2.739323 24.33117 
1 1 1  -38   15   33 o   49.764   15.599  -2.1031   9.0793   14.081   13.348 -16.0383   12.386   62.361   25.330   37.168   18.214 25.19324 31.19844 
1 1 1  -38   15   34 o   47.518   15.365  -0.3249   8.7677  -0.8209   13.439   0.0428   11.569   48.453   22.296   46.582   21.149 1.870716 30.73094 
1 1 1  -38   15   35 o   60.754   17.034   13.063   7.9283   16.714   13.924   11.312   9.6445   64.433   25.976   57.075   22.043 7.357971 34.06801 
1 1 1  -38   15   36 o   32.935   11.488 -14.9289   7.1522 -13.6194   11.090 -15.8615   9.3588   35.209   17.249   30.661   15.178 4.547724 22.97614 
1 1 1  -38   16    1 o   88.920   12.700   23.199   5.7598   28.425   9.4527   20.114   7.2640   96.302   18.840   81.538   17.036 14.76402 25.39961 
1 1 1  -38   16    2 o   45.465   13.552   2.2979   5.5408   2.2992   9.0696   2.2972   6.9986   47.653   20.232   43.278   18.034 4.375031 27.10306 
1 1 1  -38   16    3 o   46.818   13.770   1.4483   5.6413   7.7143   9.5182  -1.9446   7.0040   56.210   21.845   37.426   16.770 18.78319 27.54005 
1 1 1  -38   16    4 o   59.918   14.829   10.214   5.7414   11.713   9.6020   9.3797   7.1629   63.027   22.417   56.808   19.417 6.218979 29.65711 
1 1 1  -38   16    5 o   56.147   14.622   8.3397   5.6209   9.4302   9.6194   7.7742   6.9264   59.103   22.207   53.190   19.026 5.913345 29.24327 
1 1 1  -38   16    6 o   73.143   14.702   15.729   5.8865   21.637   10.055   12.649   7.2608   82.132   22.149   64.153   19.341 17.97854 29.40484 
1 1 1  -38   16    7 o   46.299   13.477   2.0166   5.9263  -6.6198   9.5446   7.4352   7.5602   39.350   18.342   53.247   19.750 -13.89680 26.95348 
1 1 1  -38   16    8 o  114.729   10.134   37.171   6.1382   40.580   9.9469   35.075   7.8006  118.311   15.559  111.146   12.988 7.165260 20.26734 
1 1 1  -38   16    9 o   75.620   13.297   19.169   5.9525   7.9068   9.8627   25.622   7.4656   56.880   22.201   94.360   14.642 -37.47927 26.59425 
1 1 1  -38   16   10 o   53.991   14.569   7.3528   5.9243   4.7766   9.5962   8.9392   7.5307   51.875   21.319   56.106   19.863 -4.231789 29.13877 
1 1 1  -38   16   11 o   57.717   14.922   9.3683   6.0975   6.5266   9.9610   11.071   7.7110   54.842   22.019   60.592   20.146 -5.749035 29.84444 
1 1 1  -38   16   12 o   92.269   21.136   28.344   11.424   40.068   20.265   22.883   13.831  102.672   32.550   81.865   26.969 20.80709 42.27128 
1 1 1  -38   16   13 o   96.356   20.803   34.263   11.791   29.932   20.450   36.419   14.431   89.211   32.584  103.501   25.873 -14.28929 41.60699 
1 1 1  -38   16   14 o   59.754   16.229   1.3382   8.3696 -11.3563   10.539   23.018   13.772   37.918   18.142   81.589   26.914 -43.67095 32.45742 
1 1 1  -38   16   15 o  145.495   9.0703   57.886   6.9027   70.882   11.672   50.896   8.5600  156.928   13.764  134.062   11.816 22.86549 18.14062 
1 1 1  -38   16   16 o   51.318   14.723   5.4367   6.2513   4.6025   10.241   5.9322   7.8924   52.140   21.779   50.496   19.817 1.644653 29.44529 
1 1 1  -38   16   17 o   57.367   15.933   8.3042   7.2165   9.9046   10.585   6.9144   9.8640   59.984   23.114   54.751   21.937 5.233337 31.86642 
1 1 1  -38   16   18 o   65.668   15.696   12.463   6.5495   19.184   10.755   8.5015   8.2573   75.888   23.664   55.447   20.626 20.44185 31.39121 
1 1 1  -38   16   19 o  130.250   11.153   46.957   7.4849   60.450   13.213   40.581   9.0826  142.179   17.199  118.320   14.206 23.85870 22.30682 
1 1 1  -38   16   20 o   46.765   13.982  -1.7587   6.5179   10.364   10.294  -9.8719   8.4211   60.011   22.874   33.519   16.085 26.49207 27.96307 
1 1 1  -38   16   21 o   83.179   15.113   21.403   6.7994   31.918   11.186   15.241   8.5630   98.290   21.645   68.069   21.098 30.22082 30.22644 
1 1 1  -38   16   22 o  104.911   15.077   32.722   8.5472   0.0000   0.0000   32.722   8.5472  ?   ?   104.911   15.077      ?      ? 
1 1 1  -38   16   23 o  102.632   13.318   35.164   6.8397   25.631   10.794   41.561   8.8416   86.188   22.817  119.076   13.741 -32.88737 26.63516 
1 1 1  -38   16   24 f   48.526   14.608   3.0742   6.5881   6.0163   10.492   1.1589   8.4650   53.247   22.125   43.805   19.078 9.441776 29.21502 
1 1 1  -38   16   25 f   60.182   15.475   8.3229   6.7885   20.008   11.197   1.5311   8.5364   75.821   24.212   44.542   19.279 31.27935 30.94958 
1 1 1  -38   16   26 o   78.519   15.818   20.084   6.8661   24.375   11.268   17.550   8.6594   84.057   23.755   72.982   20.894 11.07483 31.63660 
1 1 1  -38   16   27 o   64.182   16.277   12.498   7.0402   17.380   11.423   9.5082   8.9399   71.252   24.516   57.113   21.419 14.13851 32.55412 
1 1 1  -38   16   28 o   41.076   13.309  -9.2774   6.6996   6.1475   11.093 -18.1333   8.4056   53.826   22.588   28.327   14.084 25.49934 26.61881 
1 1 1  -38   16   29 o   49.196   14.819   4.8154   6.7634   5.8287   10.938   4.1882   8.6059   51.668   22.085   46.725   19.766 4.942810 29.63818 
1 1 1  -38   16   30 o   54.806   15.429   7.6774   7.0966   17.789   11.218   0.9298   9.1635   66.814   24.174   42.799   19.179 24.01454 30.85834 
1 1 1  -38   16   31 o   58.819   17.268   10.638   9.0304   16.171   13.678   6.3626   12.023   64.845   25.884   52.792   22.865 12.05250 34.53661 
1 1 1  -38   16   32 o   47.275   15.373  -1.1232   8.9858  -2.5045   13.591  -0.0506   11.977   47.435   22.036   47.116   21.440 0.3185844 30.74517 
1 1 1  -38   16   33 o   54.367   15.771   2.4878   9.1893 -19.2545   13.602   20.743   12.464   37.576   18.544   71.157   25.515 -33.58150 31.54226 
1 1 1  -38   16   34 o   51.951   15.540   7.5105   7.3882   11.147   11.692   5.0934   9.5323   56.363   23.383   47.539   20.474 8.824032 31.08031 
1 1 1  -38   17    1 o   67.989   22.070   14.819   9.2748   14.819   9.2748   0.0000   0.0000   67.989   22.070  ?   ?       ?      ? 
1 1 1  -38   17    2 o   69.830   14.307   16.101   5.9763   10.053   9.5500   19.994   7.6621   59.391   22.164   80.268   18.097 -20.87693 28.61387 
1 1 1  -38   17    3 o   71.474   13.988   17.114   5.8449   10.212   9.6459   21.118   7.3474   59.751   22.280   83.197   16.919 -23.44605 27.97583 
1 1 1  -38   17    4 o   55.147   14.222   8.1933   5.9509   1.1062   9.5937   12.625   7.5868   46.751   20.336   63.542   19.886 -16.79038 28.44304 
1 1 1  -38   17    5 o   74.876   12.523   19.105   6.1502   1.0969   9.9449   30.258   7.8262   47.415   20.664  102.337   14.152 -54.92171 25.04584 
1 1 1  -38   17    6 f   40.635   12.941  -1.8057   5.8130  -3.8848   9.7694  -0.6661   7.2326   41.924   19.187   39.346   17.369 2.578468 25.88105 
1 1 1  -38   17    7 o   53.220   14.532   4.6245   5.9922   13.777   10.111  -0.3301   7.4393   66.155   23.047   40.284   17.705 25.87170 29.06301 
1 1 1  -38   17    8 o   75.999   14.365   19.408   6.2518   12.407   10.017   23.874   8.0013   63.694   22.871   88.304   17.387 -24.60945 28.72939 
1 1 1  -38   17    9 o   57.873   14.939   9.6906   6.0644   8.0167   9.6899   10.768   7.7754   56.208   21.987   59.539   20.231 -3.330925 29.87846 
1 1 1  -38   17   10 o   55.395   14.918   8.2002   6.1311   6.9264   9.9032   8.9918   7.8072   54.823   21.975   55.966   20.180 -1.143250 29.83521 
1 1 1  -38   17   11 o   51.144   16.748  -5.4004   10.901 -21.3784   20.315   1.0610   12.919   49.872   24.189   52.415   23.172 -2.542709 33.49688 
1 1 1  -38   17   12 o   57.607   18.453  -4.8499   11.266   14.243   20.840 -12.7342   13.392   72.310   30.683   42.904   20.507 29.40554 36.90504 
1 1 1  -38   17   13 o   47.814   15.205  -1.7759   8.3191   2.1757   10.636  -8.0045   13.353   49.809   21.539   45.819   21.467 3.989407 30.40996 
1 1 1  -38   17   14 o   50.437   14.673   4.8149   6.3525   3.0673   10.423   5.8477   8.0127   50.424   21.556   50.450   19.914 -0.2531815E-01 29.34635 
1 1 1  -38   17   15 o   46.772   14.242   2.0482   6.3980   0.5519   10.500   2.9319   8.0689   47.610   20.977   45.933   19.269 1.676491 28.48371 
1 1 1  -38   17   16 o   48.399   14.479  -3.2046   7.6324   11.780   10.839 -17.9414   10.749   62.487   23.555   34.312   16.845 28.17447 28.95833 
1 1 1  -38   17   17 f   49.223   15.087   0.9951   7.6777  -5.2274   10.695   7.6126   11.029   42.186   19.580   56.259   22.957 -14.07317 30.17345 
1 1 1  -38   17   18 o   58.047   15.991   9.5213   6.9109   9.8829   12.264   9.3531   8.3654   59.968   24.307   56.126   20.784 3.842819 31.98133 
1 1 1  -38   17   19 o   48.901   14.606   3.9018   6.7110  -0.9458   11.151   6.6544   8.4029   46.424   20.950   51.379   20.357 -4.954914 29.21166 
1 1 1  -38   17   20 o   77.302   15.144   21.046   7.0109   12.307   10.809   27.392   9.2114   62.280   23.511   92.325   19.094 -30.04576 30.28768 
1 1 1  -38   17   21 o   51.689   14.896   5.6093   6.8295  -0.5501   10.992   9.4818   8.7158   46.712   20.964   56.667   21.169 -9.954819 29.79282 
1 1 1  -38   17   22 o   40.424   13.036  -4.0748   6.5970 -12.6959   10.567   1.4305   8.4446   36.614   17.683   44.234   19.160 -7.620064 26.07294 
1 1 1  -38   17   23 o   85.142   15.207   25.088   7.1467   18.249   11.232   29.741   9.2642   72.852   24.317   97.432   18.267 -24.58018 30.41430 
1 1 1  -38   17   24 o  148.010   9.7317   61.828   7.6425   74.529   12.322   53.889   9.7428  159.569   14.291  136.450   13.214 23.11923 19.46339 
1 1 1  -38   17   25 o   35.115   11.998 -11.9980   6.8980 -17.6574   10.992  -8.3216   8.8596   34.732   17.048   35.499   16.887 -0.7664642 23.99585 
1 1 1  -38   17   26 f   55.677   15.592   8.7439   6.8264   10.358   10.958   7.7205   8.7264   58.523   23.229   52.832   20.805 5.691212 31.18350 
1 1 1  -38   17   27 o   58.013   13.076   6.5716   7.0412 -19.8295   11.119   24.247   9.0978   32.943   16.348   83.084   20.411 -50.14063 26.15146 
1 1 1  -38   17   28 o   48.275   14.803   4.3083   7.0320   7.7302   11.032   1.9663   9.1264   52.674   22.336   43.876   19.432 8.797688 29.60599 
1 1 1  -38   17   29 o   53.874   16.108   4.6817   9.0773  -9.4707   13.716   15.709   12.108   42.941   20.585   64.808   24.782 -21.86771 32.21682 
1 1 1  -38   17   30 o   57.618   16.853   8.8782   9.1507  -0.4946   13.673   16.482   12.315   48.996   22.525   66.240   25.074 -17.24483 33.70564 
1 1 1  -38   17   31 o   90.087   18.252   33.641   9.5790   27.770   14.205   38.536   12.972   79.698   27.343  100.477   24.184 -20.77872 36.50343 
1 1 1  -38   17   32 o   57.357   16.633   8.5533   7.7648   22.815   14.237   2.5149   9.2639   70.496   26.893   44.218   19.581 26.27836 33.26668 
1 1 1  -38   18    1 f   57.110   14.950   9.2661   6.0502   11.126   9.4115   7.9561   7.8984   60.540   22.106   53.680   20.132 6.860317 29.89971 
1 1 1  -38   18    2 o   79.650   21.379   20.853   9.3939   20.853   9.3939   0.0000   0.0000   79.650   21.379  ?   ?       ?      ? 
1 1 1  -38   18    3 o   51.703   14.188   6.0752   6.0736  -0.5140   9.4966   10.636   7.9007   44.425   19.742   58.981   20.383 -14.55617 28.37588 
1 1 1  -38   18    4 f   53.748   14.764   7.4088   6.1902   4.7757   9.7995   9.1571   7.9850   51.356   21.365   56.141   20.383 -4.784801 29.52846 
1 1 1  -38   18    5 o  120.048   10.283   41.139   6.5195   46.399   10.610   37.948   8.2634  125.369   15.662  114.727   13.329 10.64142 20.56633 
1 1 1  -38   18    6 f   70.626   14.637   14.952   6.0969   23.591   9.6767   9.2643   7.8512   85.026   21.149   56.226   20.241 28.80050 29.27433 
1 1 1  -38   18    7 o   66.583   15.314   14.268   6.2556   14.817   9.7136   13.879   8.1771   67.429   22.614   65.736   20.657 1.692993 30.62816 
1 1 1  -38   18    8 o   63.693   15.348   12.992   6.3662   11.049   9.7998   14.411   8.3737   60.650   22.488   66.736   20.893 -6.085453 30.69532 
1 1 1  -38   18    9 o   50.609   14.668   4.9299   6.5462   1.1177   9.8692   7.9247   8.7474   46.783   20.481   54.436   21.002 -7.652546 29.33522 
1 1 1  -38   18   10 f   74.587   20.900   16.919   12.126   31.081   20.676   9.4955   14.970   86.887   32.575   62.287   26.194 24.59952 41.80054 
1 1 1  -38   18   11 o   69.071   19.988   15.009   12.331   3.6712   21.519   20.552   15.047   62.853   28.654   75.288   27.875 -12.43512 39.97618 
1 1 1  -38   18   12 o   64.965   17.531   13.698   8.6537   16.279   10.624   8.6104   14.917   69.119   23.648   60.812   25.887 8.307472 35.06184 
1 1 1  -38   18   13 o   78.722   14.539   18.674   6.6731   33.568   10.689   9.1615   8.5423  101.617   20.177   55.826   20.937 45.79081 29.07709 
1 1 1  -38   18   14 f   39.529   13.015  -5.1114   6.7115  -5.3484   10.189  -4.9299   8.9197   40.744   18.978   38.314   17.816 2.429203 26.03057 
1 1 1  -38   18   15 o   94.168   15.936   29.882   8.0217   24.730   10.793   36.239   11.989   84.462   23.020  103.874   22.042 -19.41271 31.87114 
1 1 1  -38   18   16 o   53.825   15.294   4.8053   7.3991  -3.8399   10.247   14.223   10.695   42.204   19.439   65.445   23.616 -23.24039 30.58715 
1 1 1  -38   18   17 o   79.298   16.629   21.292   7.4090   24.009   12.448   19.801   9.2200   81.702   25.456   76.893   21.403 4.809372 33.25813 
1 1 1  -38   18   18 o   42.444   13.731  -3.6838   7.2146 -12.4302   12.185   1.0380   8.9527   40.143   19.286   44.746   19.551 -4.603008 27.46213 
1 1 1  -38   18   19 o   38.136   12.793  -9.4618   6.7566  -2.8225   11.045 -13.4320   8.5411   44.916   20.497   31.356   15.314 13.56055 25.58631 
1 1 1  -38   18   20 o  132.676   17.121   53.231   12.275   53.231   12.275   0.0000   0.0000  132.676   17.121  ?   ?       ?      ? 
1 1 1  -38   18   21 o   42.031   13.603  -3.4637   6.9924  -7.7739   10.941  -0.4877   9.0913   40.729   19.192   43.333   19.283 -2.603451 27.20624 
1 1 1  -38   18   22 o   33.499   11.584 -15.8581   7.0848 -24.3597   11.115 -10.0402   9.1948   31.969   15.943   35.029   16.809 -3.059834 23.16717 
1 1 1  -38   18   23 o   46.261   14.203   1.3530   6.5950   6.8254   10.232  -2.5364   8.6260   53.031   21.927   39.492   18.058 13.53814 28.40566 
1 1 1  -38   18   24 o   47.170   14.619   2.9584   7.0033   5.7457   11.007   1.0625   9.0780   51.076   21.999   43.265   19.260 7.810757 29.23887 
1 1 1  -38   18   25 o   39.275   12.862  -5.0760   7.0074 -18.1150   11.363   2.9251   8.9014   33.928   16.782   44.623   19.496 -10.69497 25.72398 
1 1 1  -38   18   26 o   47.551   14.678   2.2551   7.1009   9.0362   11.165  -2.3513   9.2019   55.075   22.849   40.027   18.430 15.04808 29.35587 
1 1 1  -38   18   27 o   72.598   16.882   19.727   9.0425   4.8063   13.665   31.351   12.061   53.418   23.712   91.778   24.035 -38.36006 33.76308 
1 1 1  -38   18   28 o   69.096   18.330   19.019   9.3350   16.730   14.142   20.786   12.427   65.896   26.314   72.296   25.525 -6.400352 36.66001 
1 1 1  -38   18   29 o   57.159   17.185   10.794   9.2992   8.8919   14.288   12.191   12.248   55.820   24.536   58.499   24.069 -2.678234 34.37025 
1 1 1  -38   18   30 o   49.686   15.709   2.6919   8.0001   13.450   14.361  -2.1488   9.6332   59.232   25.311   40.140   18.614 19.09110 31.41888 
1 1 1  -38   19    1 o   56.229   15.070   9.1816   6.3305   7.3097   9.7007   10.570   8.3546   54.064   21.721   58.395   20.895 -4.331978 30.14010 
1 1 1  -38   19    2 o   48.631   14.086   3.6506   6.0567   9.3132   9.1425  -0.7784   8.0855   56.609   21.562   40.653   18.131 15.95597 28.17142 
1 1 1  -38   19    3 o   89.925   13.738   26.300   6.4333   24.718   9.7953   27.501   8.5313   86.063   21.201   93.787   17.477 -7.724258 27.47604 
1 1 1  -38   19    4 o   69.314   15.749   16.076   6.5987   17.412   10.428   15.184   8.5217   71.053   23.418   67.574   21.064 3.479370 31.49740 
1 1 1  -38   19    5 o   49.583   14.588   4.6632   6.5113   2.0525   10.007   6.5801   8.5748   47.617   20.741   51.549   20.520 -3.932556 29.17633 
1 1 1  -38   19    6 o   48.688   14.326   1.9089   6.5870   10.602   9.9630  -4.8419   8.7797   59.254   22.523   38.122   17.710 21.13193 28.65178 
1 1 1  -38   19    7 o   40.821   12.796  -5.9581   6.6243 -23.0287   10.301   6.0791   8.6500   30.746   15.335   50.897   20.490 -20.15164 25.59293 
1 1 1  -38   19    8 o   46.449   14.236   1.3622   6.8365  -4.7060   10.677   5.5792   8.9004   42.378   19.632   50.520   20.620 -8.141949 28.47153 
1 1 1  -38   19    9 o   58.096   17.966  -2.9871   12.915 -38.1306   20.974   18.475   16.391   43.861   21.878   72.330   28.503 -28.46909 35.93193 
1 1 1  -38   19   10 o   52.480   17.807 -18.4072   13.327   7.0315   22.780 -31.6441   16.433   65.704   29.770   39.256   19.546 26.44815 35.61324 
1 1 1  -38   19   11 o   66.160   16.375   0.1756   8.6262 -15.5085   10.344   35.991   15.631   34.474   16.840   97.847   28.090 -63.37373 32.75087 
1 1 1  -38   19   12 o   34.676   11.861 -12.2273   6.7838 -17.9335   10.840  -8.5544   8.6972   34.347   16.873   35.005   16.674 -0.6581650 23.72188 
1 1 1  -38   19   13 o   43.025   13.875  -2.7469   7.0644  -2.8135   10.874  -2.6984   9.2923   44.580   20.342   41.470   18.877 3.109383 27.75071 
1 1 1  -38   19   14 o   65.780   14.756   8.9866   7.1957   28.269   11.319  -4.0907   9.3216   91.312   22.963   40.249   18.539 51.06289 29.51244 
1 1 1  -38   19   15 o  136.159   12.043   55.798   8.8382   53.189   11.996   58.896   13.072  132.970   16.695  139.348   17.360 -6.377213 24.08501 
1 1 1  -38   19   16 f   76.495   16.527   20.687   7.6350   15.297   12.823   23.647   9.5029   68.131   25.632   84.858   20.869 -16.72731 33.05362 
1 1 1  -38   19   17 o   38.973   13.212 -10.2224   7.6378 -13.6171   13.067  -8.4606   9.4133   41.147   19.820   36.799   17.476 4.348793 26.42437 
1 1 1  -38   19   18 o   51.550   13.376   0.4295   7.0017 -24.9027   11.086   17.240   9.0309   31.667   15.813   71.434   21.577 -39.76690 26.75131 
1 1 1  -38   19   19 o   54.078   14.855   6.7867   7.0307  -3.4773   10.685   14.625   9.3370   42.859   19.779   65.296   22.170 -22.43690 29.71047 
1 1 1  -38   19   20 o   53.233   15.219   7.2066   6.7161   12.712   10.713   3.6417   8.6206   60.548   23.273   45.918   19.616 14.63023 30.43737 
1 1 1  -38   19   21 o   42.759   13.539  -1.4868   7.0391 -12.6716   10.934   6.4297   9.1989   35.884   17.482   49.635   20.679 -13.75108 27.07812 
1 1 1  -38   19   22 o   64.626   16.355   15.798   7.1066   17.414   11.484   14.795   9.0469   66.097   24.376   63.154   21.812 2.942329 32.71027 
1 1 1  -38   19   23 o   48.015   14.338   2.8082   7.1905  -9.2451   11.362   10.861   9.2868   39.027   18.716   57.003   21.726 -17.97543 28.67638 
1 1 1  -38   19   24 o  105.623   14.204   38.226   7.7224   32.668   11.895   42.275   10.153   94.570   23.404  116.675   16.103 -22.10473 28.40892 
1 1 1  -38   19   25 o   45.364   14.915  -3.0429   8.8702  -7.6847   13.921   0.1296   11.509   44.319   21.107   46.409   21.080 -2.090595 29.83007 
1 1 1  -38   19   26 o   83.165   17.948   28.879   9.0770   23.266   13.497   33.514   12.265   73.395   26.523   92.936   24.188 -19.54118 35.89627 
1 1 1  -38   19   27 o   44.545   14.755  -2.7606   9.0480  -8.5946   13.796   1.6428   11.986   42.254   20.356   46.836   21.365 -4.582127 29.50970 
1 1 1  -38   20    1 o   32.757   11.266 -12.9143   6.3348 -12.2392   9.1980 -13.5235   8.7373   33.725   16.338   31.788   15.517 1.936558 22.53274 
1 1 1  -38   20    2 o  102.429   13.131   32.937   6.9690   55.231   10.439   15.012   9.3603  137.490   14.051   67.368   22.186 70.12192 26.26110 
1 1 1  -38   20    3 o   68.248   15.514   14.499   6.8446   22.589   10.209   7.8923   9.2252   81.775   22.429   54.722   21.440 27.05353 31.02798 
1 1 1  -38   20    4 f   62.730   15.577   12.528   6.5258   12.777   9.6251   12.316   8.8779   63.246   22.449   62.215   21.600 1.031116 31.15362 
1 1 1  -38   20    5 o   48.385   21.110   1.8359   10.404   1.8359   10.404   0.0000   0.0000   48.385   21.110  ?   ?       ?      ? 
1 1 1  -38   20    6 o   59.564   14.030   4.4890   7.0775   23.990   10.408 -12.2858   9.6529   84.308   22.447   34.819   16.836 49.48911 28.05937 
1 1 1  -38   20    7 o   47.745   15.904  -3.8366   8.5860 -13.2703   20.655  -1.8659   9.4403   52.866   25.322   42.624   19.252 10.24245 31.80889 
1 1 1  -38   20    8 o   57.459   18.740  -3.5479   13.250   8.7523   21.013 -11.6667   17.072   66.043   29.356   48.874   23.303 17.16859 37.48092 
1 1 1  -38   20    9 o   71.120   20.664   16.252   13.304   6.0135   20.845   23.288   17.281   63.838   28.741   78.403   29.696 -14.56538 41.32708 
1 1 1  -38   20   10 o   35.919   17.360 -12.5029   10.231 -12.5029   10.231   0.0000   0.0000   35.919   17.360  ?   ?       ?      ? 
1 1 1  -38   20   11 o   44.144   14.120  -1.5459   7.1839  -2.3514   10.804  -0.9077   9.6178   44.589   20.319   43.699   19.611 0.8901443 28.23923 
1 1 1  -38   20   12 o   37.396   12.633  -9.4895   7.1413 -10.2431   10.637  -8.8711   9.6356   38.027   18.203   36.766   17.523 1.260841 25.26670 
1 1 1  -38   20   13 o   59.479   16.229   10.975   7.3611   12.402   10.964   9.8035   9.9325   61.720   23.588   57.237   22.296 4.483517 32.45738 
1 1 1  -38   20   14 o   48.939   14.900   0.6080   7.7482  -9.5158   10.750   11.552   11.177   38.169   18.278   59.708   23.535 -21.53976 29.79935 
1 1 1  -38   20   15 o   50.054   14.936   4.4341   7.3627  -3.0699   10.725   11.124   10.126   42.342   19.637   57.765   22.509 -15.42240 29.87112 
1 1 1  -38   20   16 o   57.998   16.416   10.905   7.4774   15.477   12.766   8.5175   9.2254   63.262   25.084   52.733   21.184 10.52881 32.83238 
1 1 1  -38   20   17 o   75.481   14.822   22.110   7.5492   6.7691   11.502   33.720   10.006   51.915   22.424   99.047   19.390 -47.13228 29.64461 
1 1 1  -38   20   18 o   51.989   14.841   3.3190   7.2366   18.087   11.099  -7.6006   9.5442   67.711   24.099   36.267   17.328 31.44411 29.68229 
1 1 1  -38   20   19 o   43.848   14.010   0.1284   6.9884  -1.7263   11.266   1.2884   8.9098   44.328   20.404   43.368   19.204 0.9602509 28.02003 
1 1 1  -38   20   20 o   43.615   13.957  -4.5113   7.1957   7.7352   11.378 -12.6731   9.2890   54.327   22.841   32.903   16.048 21.42432 27.91495 
1 1 1  -38   20   21 o   75.683   13.979   14.029   7.3192   42.255   12.093  -2.2893   9.1946  110.979   20.933   40.387   18.532 70.59214 27.95705 
1 1 1  -38   20   22 o   50.973   15.709   5.1933   8.1294   3.5967   11.235   6.9482   11.778   48.926   21.620   53.019   22.796 -4.093296 31.41792 
1 1 1  -38   20   23 o   55.840   16.198   7.6020   9.0701  -8.1261   13.740   19.748   12.075   42.779   20.533   68.901   25.058 -26.12238 32.39566 
1 1 1  -38   20   24 o   59.919   17.360   14.061   9.1126   10.475   14.007   16.691   11.999   56.285   24.527   63.553   24.575 -7.267776 34.72050 
1 1 1  -38   21    1 o   33.838   11.581 -10.8792   6.4771  -5.0533   9.4917 -15.9564   8.8609   37.933   17.875   29.743   14.731 8.189304 23.16289 
1 1 1  -38   21    2 o   45.334   13.754   2.5059   6.4331  -4.3621   9.3792   8.6075   8.8403   38.283   17.954   52.386   20.841 -14.10321 27.50803 
1 1 1  -38   21    3 o   38.869   12.773  -4.4966   6.6049   1.4931   9.4895 -10.1250   9.1988   43.947   19.618   33.791   16.363 10.15583 25.54628 
1 1 1  -38   21    4 o   52.420   14.885   8.0453   6.7477   2.6483   10.120   12.365   9.0538   46.091   20.436   58.750   21.647 -12.65949 29.76942 
1 1 1  -38   21    5 o   66.504   15.630   15.773   7.1035   25.066   10.428   7.7257   9.7031   81.260   22.813   51.747   21.371 29.51282 31.25945 
1 1 1  -38   21    6 o   68.974   19.666   11.710   8.7293   45.766   21.815   5.2175   9.5251   89.661   33.491   48.287   20.623 41.37388 39.33139 
1 1 1  -38   21    7 o   40.042   14.268 -33.9233   12.325 -13.2522   19.787 -47.0270   15.754   47.657   23.283   32.428   16.499 15.22875 28.53625 
1 1 1  -38   21    8 o   53.049   17.659   1.1017   12.834  -1.9464   21.244   2.8536   16.106   53.654   25.694   52.445   24.231 1.208290 35.31752 
1 1 1  -38   21    9 f   38.231   12.697  -5.4099   6.8259 -11.0067   10.039  -0.5976   9.3090   34.979   16.975   41.484   18.887 -6.504528 25.39382 
1 1 1  -38   21   10 o   60.502   15.932   12.996   7.0836   17.954   10.496   8.8479   9.5996   67.773   23.489   53.231   21.530 14.54122 31.86329 
1 1 1  -38   21   11 f   42.007   13.617  -1.4123   6.9660   0.4180   10.329  -2.9396   9.4348   44.292   20.059   39.721   18.420 4.571442 27.23363 
1 1 1  -38   21   12 o   47.007   14.644   3.0005   7.1542   2.2870   11.311   3.4764   9.2366   47.766   21.363   46.248   20.036 1.518108 29.28853 
1 1 1  -38   21   13 o   74.241   16.691   18.903   8.3731   7.2812   11.053   34.550   12.826   53.210   22.449   95.273   24.706 -42.06281 33.38168 
1 1 1  -38   21   14 o   40.061   13.509  -8.1237   8.0535  -6.8609   10.578  -9.8649   12.421   39.364   18.646   40.758   19.552 -1.393707 27.01783 
1 1 1  -38   21   15 o   76.112   16.811   19.593   7.7766   32.860   12.895   12.010   9.7487   92.745   25.113   59.480   22.355 33.26526 33.62166 
1 1 1  -38   21   16 o   75.778   16.632   19.875   7.8369   32.477   12.417   11.532   10.103   92.881   24.418   58.674   22.589 34.20764 33.26403 
1 1 1  -38   21   17 o   40.736   13.431  -5.2695   7.2869   1.3742   10.844 -10.7389   9.8393   46.384   20.820   35.088   16.974 11.29655 26.86210 
1 1 1  -38   21   18 o   47.249   14.601   3.0913   7.0244   7.8037   10.835  -0.3255   9.2259   52.782   22.245   41.716   18.919 11.06582 29.20224 
1 1 1  -38   21   19 o   60.934   15.278   8.8755   8.1139  -9.0699   11.275   28.153   11.686   38.275   18.430   83.592   24.372 -45.31670 30.55555 
1 1 1  -38   21   20 o   50.885   15.980   5.2280   8.9656  -0.0334   12.918   10.117   12.453   46.472   21.552   55.297   23.598 -8.824852 31.95902 
1 1 1  -38   22    1 o   52.138   14.543   6.4295   6.6771  -1.9905   9.5001   14.649   9.3865   40.907   18.795   63.369   22.199 -22.46222 29.08659 
1 1 1  -38   22    2 o   48.939   14.546   5.4612   6.5329   6.7059   9.3528   4.2753   9.1289   50.682   20.961   47.197   20.175 3.484932 29.09241 
1 1 1  -38   22    3 o   64.519   15.484   14.454   6.8941   7.5191   9.6327   21.736   9.8711   52.156   21.389   76.881   22.395 -24.72458 30.96807 
1 1 1  -38   22    4 o   44.054   14.005   0.4194   6.9769  -0.2636   9.9602   1.0775   9.7760   43.531   19.708   44.577   19.905 -1.046234 28.01065 
1 1 1  -38   22    5 o   58.840   18.890   5.1524   14.110 -15.0946   22.804   17.712   17.961   50.925   24.904   66.756   28.411 -15.83124 37.78035 
1 1 1  -38   22    6 o   60.104   19.501   8.0513   14.079   10.534   22.713   6.5023   17.942   62.571   28.863   57.637   26.233 4.934937 39.00287 
1 1 1  -38   22    7 o   54.437   17.256   2.4461   8.9837  -2.6100   10.326   18.187   18.220   41.952   19.390   66.922   28.551 -24.97000 34.51287 
1 1 1  -38   22    8 o   63.099   16.134   14.647   7.1232   12.702   10.484   16.316   9.7085   59.918   23.025   66.280   22.606 -6.361355 32.26748 
1 1 1  -38   22    9 o   48.103   14.861   3.9585   7.2781   4.2917   10.920   3.6921   9.7629   49.145   21.529   47.061   20.493 2.083256 29.72294 
1 1 1  -38   22   10 o   53.851   15.144   8.5969   7.1226   0.9383   10.984   14.154   9.3563   45.695   20.691   62.007   22.120 -16.31125 30.28891 
1 1 1  -38   22   11 o   49.985   15.222   5.8429   7.4246   5.2077   11.300   6.3255   9.8491   50.046   21.913   49.924   21.134 0.1217804 30.44335 
1 1 1  -38   22   12 o   42.778   13.992  -1.5564   7.5623  -1.3191   11.493  -1.7376   10.043   44.061   20.396   41.496   19.159 2.564571 27.98356 
1 1 1  -38   22   13 o   46.946   14.685   0.7107   8.1389   10.738   10.815 -12.3851   12.359   55.726   22.736   38.165   18.592 17.56162 29.36963 
1 1 1  -38   22   14 o   38.997   13.249  -7.0880   7.6662  -7.9775   13.309  -6.6464   9.3783   41.838   20.115   36.156   17.248 5.682335 26.49707 
1 1 1  -38   22   15 o   46.781   14.581   3.1383   7.5994  -6.0248   12.563   8.4262   9.5434   41.856   19.966   51.706   21.257 -9.850388 29.16298 
1 1 1  -37    0    1 o  164.015   5.9573   73.545   7.4219   73.545   7.4219   73.545   7.4219  164.015   8.4249  164.015   8.4249 0.000000 0.000000 
1 1 1  -37    0    2 o  176.250   5.8091   84.791   7.7855   84.791   7.7855   84.791   7.7855  176.250   8.2153  176.250   8.2153 0.000000 0.000000 
1 1 1  -37    0    3 o  121.671   7.6407   41.187   6.9754   41.187   6.9754   41.187   6.9754  121.671   10.806  121.671   10.806 0.000000 0.000000 
1 1 1  -37    0    4 o  262.596   5.3156  187.351   10.647  187.351   10.647  187.351   10.647  262.596   7.5175  262.596   7.5175 0.000000 0.000000 
1 1 1  -37    0    5 o  165.319   6.2897   74.802   7.8936   74.802   7.8936   74.802   7.8936  165.319   8.8950  165.319   8.8950 0.000000 0.000000 
1 1 1  -37    0    6 o  390.853   5.8864  414.905   17.564  414.905   17.564  414.905   17.564  390.853   8.3246  390.853   8.3246 0.000000 0.000000 
1 1 1  -37    0    7 o   27.356   12.564  -0.2879   6.2852  -0.2879   6.2852  -0.2879   6.2852   27.356   17.769   27.356   17.769 0.000000 0.000000 
1 1 1  -37    0    8 o   77.002   13.055   18.761   6.6631   18.761   6.6631   18.761   6.6631   77.002   18.462   77.002   18.462 0.000000 0.000000 
1 1 1  -37    0    9 o   65.330   15.062   14.921   6.6577   14.921   6.6577   14.921   6.6577   65.330   21.301   65.330   21.301 0.000000 0.000000 
1 1 1  -37    0   10 o  283.119   5.3387  217.756   11.532  217.756   11.532  217.756   11.532  283.119   7.5500  283.119   7.5500 0.000000 0.000000 
1 1 1  -37    0   11 o  135.958   7.4129   51.151   7.5966   51.151   7.5966   51.151   7.5966  135.958   10.483  135.958   10.483 0.000000 0.000000 
1 1 1  -37    0   12 o   44.140   15.502   7.9699   6.3235   7.9699   6.3235   7.9699   6.3235   44.140   21.923   44.140   21.923 0.000000 0.000000 
1 1 1  -37    0   13 o   29.722   13.337   0.9722   6.5781   0.9722   6.5781   0.9722   6.5781   29.722   18.861   29.722   18.861 0.000000 0.000000 
1 1 1  -37    0   14 o  271.701   5.3719  200.672   11.134  200.672   11.134  200.672   11.134  271.701   7.5970  271.701   7.5970 0.000000 0.000000 
1 1 1  -37    0   15 o  138.154   7.2040   52.754   7.5106   52.754   7.5106   52.754   7.5106  138.154   10.188  138.154   10.188 0.000000 0.000000 
1 1 1  -37    0   16 o   57.011   16.758   12.684   7.2786   12.684   7.2786   12.684   7.2786   57.011   23.699   57.011   23.699 0.000000 0.000000 
1 1 1  -37    0   20 o   34.716   14.720   3.6136   6.9976   3.6136   6.9976   3.6136   6.9976   34.716   20.817   34.716   20.817 0.000000 0.000000 
1 1 1  -37    0   21 o   32.640   14.188   2.5555   6.8555   2.5555   6.8555   2.5555   6.8555   32.640   20.065   32.640   20.065 0.000000 0.000000 
1 1 1  -37    0   22 o   47.920   16.491   9.5047   7.0963   9.5047   7.0963   9.5047   7.0963   47.920   23.322   47.920   23.322 0.000000 0.000000 
1 1 1  -37    0   23 o   47.112   16.406   9.2197   7.0573   9.2197   7.0573   9.2197   7.0573   47.112   23.201   47.112   23.201 0.000000 0.000000 
1 1 1  -37    0   24 o   55.499   16.480   12.168   7.0274   12.168   7.0274   12.168   7.0274   55.499   23.307   55.499   23.307 0.000000 0.000000 
1 1 1  -37    0   25 o   21.403   10.608  -6.6199   6.5570  -6.6199   6.5570  -6.6199   6.5570   21.403   15.002   21.403   15.002 0.000000 0.000000 
1 1 1  -37    0   26 o  167.988   6.7362   77.633   8.5840   77.633   8.5840   77.633   8.5840  167.988   9.5264  167.988   9.5264 0.000000 0.000000 
1 1 1  -37    0   27 o   66.205   20.664   18.167   10.985   18.167   10.985   18.167   10.985   66.205   29.223   66.205   29.223 0.000000 0.000000 
1 1 1  -37    0   28 o   60.395   20.168   15.547   10.525   15.547   10.525   15.547   10.525   60.395   28.523   60.395   28.523 0.000000 0.000000 
1 1 1  -37    0   29 o   39.034   17.297   3.3041   10.683   3.3041   10.683   3.3041   10.683   39.034   24.462   39.034   24.462 0.000000 0.000000 
1 1 1  -37    0   30 o   40.086   17.073   5.1532   9.4999   5.1532   9.4999   5.1532   9.4999   40.086   24.145   40.086   24.145 0.000000 0.000000 
1 1 1  -37    0   31 o   28.986   13.435  -0.5980   7.4292  -0.5980   7.4292  -0.5980   7.4292   28.986   19.001   28.986   19.001 0.000000 0.000000 
1 1 1  -37    0   33 o   50.053   17.207   10.686   7.7225   10.686   7.7225   10.686   7.7225   50.053   24.334   50.053   24.334 0.000000 0.000000 
1 1 1  -37    0   34 o  171.521   7.0062   81.353   9.1133   81.353   9.1133   81.353   9.1133  171.521   9.9083  171.521   9.9083 0.000000 0.000000 
1 1 1  -37    0   35 o   78.223   15.107   20.652   7.8076   20.652   7.8076   20.652   7.8076   78.223   21.365   78.223   21.365 0.000000 0.000000 
1 1 1  -37    0   36 o  181.413   6.7943   90.875   9.3588   90.875   9.3588   90.875   9.3588  181.413   9.6085  181.413   9.6085 0.000000 0.000000 
1 1 1  -37    0   37 o   28.687   13.472  -1.4266   7.8633  -1.4266   7.8633  -1.4266   7.8633   28.687   19.053   28.687   19.053 0.000000 0.000000 
1 1 1  -37    0   38 o   37.251   15.622   4.9846   7.7206   4.9846   7.7206   4.9846   7.7206   37.251   22.093   37.251   22.093 0.000000 0.000000 
1 1 1  -37    0   39 o   38.404   16.127   5.3957   8.2458   5.3957   8.2458   5.3957   8.2458   38.404   22.807   38.404   22.807 0.000000 0.000000 
1 1 1  -37    0   40 o   42.845   17.004   7.8039   8.4069   7.8039   8.4069   7.8039   8.4069   42.845   24.047   42.845   24.047 0.000000 0.000000 
1 1 1  -37    0   41 o   57.929   17.678   14.230   8.0499   14.230   8.0499   14.230   8.0499   57.929   25.001   57.929   25.001 0.000000 0.000000 
1 1 1  -37    0   42 o   36.060   15.622   4.2238   8.2490   4.2238   8.2490   4.2238   8.2490   36.060   22.093   36.060   22.093 0.000000 0.000000 
1 1 1  -37    0   43 o   24.584   12.229  -8.6858   8.9523  -8.6858   8.9523  -8.6858   8.9523   24.584   17.294   24.584   17.294 0.000000 0.000000 
1 1 1  -37    0   44 o   27.269   13.186  -4.1601   8.6646  -4.1601   8.6646  -4.1601   8.6646   27.269   18.648   27.269   18.648 0.000000 0.000000 
1 1 1  -37    0   45 o  108.947   20.838   44.347   14.995   44.347   14.995   44.347   14.995  108.947   29.469  108.947   29.469 0.000000 0.000000 
1 1 1  -37    0   48 o   84.205   16.244   25.648   9.0368   25.648   9.0368   25.648   9.0368   84.205   22.973   84.205   22.973 0.000000 0.000000 
1 1 1  -37    1    1 o   38.643   11.620   0.3132   4.2430   0.1475   6.0716   0.4714   5.9320   38.597   16.475   38.688   16.391 -0.9066772E-01 23.23947 
1 1 1  -37    1    2 o   83.219   10.533   19.769   4.5675   15.777   6.5337   23.585   6.3875   73.857   16.756   92.581   12.768 -18.72388 21.06591 
1 1 1  -37    1    3 o  147.666   6.4120   59.461   5.1161   60.132   7.2329   58.789   7.2377  148.508   9.0131  146.824   9.1225 1.683533 12.82403 
1 1 1  -37    1    4 o   60.436   12.998   10.337   4.6232   10.425   6.5182   10.247   6.5583   60.640   18.335   60.232   18.430 0.4076767 25.99645 
1 1 1  -37    1    5 o  240.948   5.3893  157.877   7.0167  158.102   9.9687  157.656   9.8781  241.112   7.6512  240.784   7.5921 0.3286133 10.77869 
1 1 1  -37    1    6 o   70.464   11.864   14.227   4.8509   6.6042   6.9103   21.632   6.8112   52.454   18.974   88.475   14.247 -36.02132 23.72762 
1 1 1  -37    1    7 o  388.679   5.9083  410.949   12.402  396.268   17.211  426.807   17.888  381.468   8.3495  395.890   8.3618 -14.42172 11.81669 
1 1 1  -37    1    8 o   49.817   11.920   3.0487   4.7440   13.101   6.8950  -5.9880   6.5374   67.243   18.428   32.390   15.125 34.85246 23.84076 
1 1 1  -37    1    9 o  284.671   5.4120  220.391   8.3240  215.849   11.677  225.084   11.869  281.685   7.6718  287.657   7.6355 -5.972107 10.82395 
1 1 1  -37    1   10 o  142.007   6.8203   55.031   5.1828   65.812   7.5249   45.301   7.1488  155.332   8.9650  128.682   10.281 26.65039 13.64059 
1 1 1  -37    1   11 o  207.711   5.7168  117.261   6.4069  121.610   9.3769  113.454   8.7745  211.289   8.2128  204.132   7.9547 7.157059 11.43364 
1 1 1  -37    1   12 o  166.353   6.3326   75.502   5.6890   79.180   8.1121   71.943   7.9803  170.365   8.8118  162.341   9.0972 8.023499 12.66514 
1 1 1  -37    1   13 o  303.843   5.4481  251.184   8.9423  244.794   12.462  257.966   12.839  299.866   7.6910  307.820   7.7186 -7.953278 10.89622 
1 1 1  -37    1   14 o  135.766   7.2001   50.429   5.2744   51.390   7.7013   49.580   7.2383  136.942   10.407  134.589   9.9526 2.352875 14.40027 
1 1 1  -37    1   15 o   92.350   10.404   24.441   4.9214   17.731   6.9241   31.292   6.9961   78.132   16.892  106.567   12.149 -28.43574 20.80747 
1 1 1  -37    1   16 o  169.021   7.8117   78.146   6.7598   77.452   8.3103   79.504   11.622  168.354   9.1349  169.687   12.674 -1.333603 15.62333 
1 1 1  -37    1   19 o   52.364   21.349   3.8468   9.5272   0.0000   0.0000   3.8468   9.5272  ?   ?    52.364   21.349      ?      ? 
1 1 1  -37    1   20 o  123.237   9.6071   41.203   6.1481   38.839   7.6077   45.653   10.438  118.652   11.866  127.822   15.113 -9.170273 19.21423 
1 1 1  -37    1   21 o  134.570   7.5488   49.754   5.4455   58.498   7.8846   41.780   7.5298  146.011   9.9932  123.130   11.317 22.88140 15.09765 
1 1 1  -37    1   22 o   70.040   13.077   14.505   5.0252   13.898   7.1695   15.091   7.0456   68.606   18.788   71.473   18.195 -2.867805 26.15421 
1 1 1  -37    1   23 o   84.624   11.667   20.852   5.1417   22.208   7.3878   19.579   7.1606   87.440   16.233   81.809   16.761 5.631783 23.33374 
1 1 1  -37    1   24 o  109.641   9.1083   33.452   5.3944   34.704   7.7005   32.246   7.5592  111.684   12.760  107.597   13.001 4.087601 18.21657 
1 1 1  -37    1   25 o   72.164   13.048   15.520   5.1377   17.775   7.2673   13.267   7.2644   77.459   17.744   66.868   19.135 10.59128 26.09573 
1 1 1  -37    1   26 f   76.105   14.346   18.699   6.1294   22.466   7.4860   11.038   10.676   87.716   16.397   64.493   23.546 23.22288 28.69231 
1 1 1  -37    1   27 o   67.558   14.889   11.373   5.9769   6.5037   7.2961   21.306   10.421   52.028   19.381   83.088   22.608 -31.05977 29.77856 
1 1 1  -37    1   28 f  111.759   13.376   35.058   8.0778   0.0000   0.0000   35.058   8.0778  ?   ?   111.759   13.376      ?      ? 
1 1 1  -37    1   29 f  120.400   12.075   40.438   7.8561   0.0000   0.0000   40.438   7.8561  ?   ?   120.400   12.075      ?      ? 
1 1 1  -37    1   30 o   54.111   14.400   3.4089   6.1089  -3.1844   7.6877   14.705   10.062   38.309   17.331   69.913   23.002 -31.60426 28.80049 
1 1 1  -37    1   31 o  118.374   10.447   39.722   6.2792   39.517   7.6772   40.135   10.914  118.930   11.946  117.818   17.142 1.111473 20.89421 
1 1 1  -37    1   32 o   91.526   11.224   24.330   5.3934   20.603   7.4290   28.484   7.8428   83.009   17.130  100.043   14.508 -17.03355 22.44817 
1 1 1  -37    1   33 o   77.726   12.929   18.647   5.4542   24.143   7.6336   12.915   7.7958   90.296   16.242   65.156   20.120 25.14069 25.85747 
1 1 1  -37    1   34 o   44.101   13.071   2.0189   5.2745   3.4214   7.3801   0.5545   7.5411   46.045   18.783   42.156   18.183 3.888184 26.14285 
1 1 1  -37    1   35 o  114.206   9.3845   37.490   5.6382   27.840   7.9053   47.480   8.0438   98.342   14.876  130.069   11.444 -31.72692 18.76902 
1 1 1  -37    1   36 o   50.413   13.577   5.4305   5.4142   9.8095   7.5079   0.6858   7.8151   57.970   19.879   42.855   18.498 15.11502 27.15397 
1 1 1  -37    1   37 o  115.941   9.2312   38.307   5.7622   36.097   8.3340   40.332   7.9758  112.430   13.718  119.451   12.357 -7.021088 18.46242 
1 1 1  -37    1   38 o   56.618   14.354   9.1110   5.5865   10.524   8.1196   7.8408   7.6981   59.407   20.656   53.830   19.937 5.576378 28.70757 
1 1 1  -37    1   39 o   43.885   13.185   1.7325   5.4952   3.5303   7.7466  -0.0887   7.7965   46.347   19.114   41.424   18.168 4.923687 26.37066 
1 1 1  -37    1   40 o   75.075   14.203   18.187   5.9153   20.344   8.1874   15.832   8.5556   80.169   19.160   69.982   20.971 10.18683 28.40621 
1 1 1  -37    1   41 o   57.279   14.625   10.016   5.8012   9.8883   8.3877   10.134   8.0322   57.144   20.869   57.413   20.494 -0.2699051 29.24900 
1 1 1  -37    1   42 o   36.838   12.139  -5.3391   5.9361  -3.2966   8.3160  -7.4611   8.4762   38.489   17.647   35.186   16.674 3.302887 24.27835 
1 1 1  -37    1   43 o   33.108   16.011 -11.4408   8.7364   0.0000   0.0000 -11.4408   8.7364  ?   ?    33.108   16.011      ?      ? 
1 1 1  -37    1   44 o   37.851   12.406  -6.2357   6.1633  -0.0940   9.0055 -11.6470   8.4531   43.508   19.285   32.194   15.612 11.31455 24.81204 
1 1 1  -37    1   45 o   46.973   14.999   1.0746   7.8963   2.5930   9.7184  -1.8750   13.546   46.273   20.289   47.673   22.095 -1.400558 29.99753 
1 1 1  -37    1   48 o   42.736   13.573   0.5479   6.5362  -2.4934   8.8125   4.2668   9.7448   38.531   17.845   46.941   20.456 -8.409790 27.14610 
1 1 1  -37    2    1 o   86.860   10.501   22.057   4.6192   13.696   6.5623   30.267   6.5032   68.680   17.601  105.040   11.457 -36.35970 21.00187 
1 1 1  -37    2    2 o   82.983   10.921   20.120   4.6836   11.374   6.5715   29.149   6.6769   62.950   18.254  103.017   11.994 -40.06635 21.84227 
1 1 1  -37    2    3 o  179.321   5.8244   87.445   5.6373   89.725   8.2088   85.410   7.7553  181.508   8.3695  177.134   8.1023 4.373779 11.64883 
1 1 1  -37    2    4 o  148.014   6.6495   60.033   5.2953   54.734   7.5889   65.060   7.3922  141.539   9.9224  154.489   8.8550 -12.94966 13.29904 
1 1 1  -37    2    5 o  129.707   7.4439   46.147   5.1964   41.447   7.3494   50.846   7.3483  123.001   11.057  136.412   9.9689 -13.41050 14.88780 
1 1 1  -37    2    6 o  211.425   5.5539  121.737   6.3377  118.850   9.1191  124.434   8.8145  208.956   8.0762  213.895   7.6262 -4.938950 11.10786 
1 1 1  -37    2    7 o  276.916   5.3857  208.603   8.0543  207.588   11.571  209.557   11.218  276.230   7.7520  277.603   7.4785 -1.373352 10.77131 
1 1 1  -37    2    8 o  244.761   5.4349  162.980   7.1869  162.899   10.262  163.059   10.069  244.684   7.7611  244.837   7.6105 -0.1533813 10.86988 
1 1 1  -37    2    9 o   73.996   12.364   15.913   4.8647   15.923   6.8230   15.903   6.9380   74.040   17.356   73.952   17.614 0.8789825E-01 24.72783 
1 1 1  -37    2   10 o  236.002   5.4971  151.562   7.0058  144.302   9.8317  159.050   9.9854  230.233   7.9027  241.771   7.6432 -11.53819 10.99410 
1 1 1  -37    2   11 o  152.924   6.7175   64.092   5.5272   61.313   8.0910   66.524   7.5685  149.714   10.001  156.134   8.9707 -6.419861 13.43493 
1 1 1  -37    2   12 o  117.739   7.9477   37.989   5.0504   40.686   7.2997   35.514   6.9947  121.763   11.094  113.714   11.383 8.048264 15.89536 
1 1 1  -37    2   13 o  220.970   5.6625  132.517   6.7425  147.218   9.8492  119.550   9.2498  232.499   7.8396  209.442   8.1730 23.05670 11.32503 
1 1 1  -37    2   14 o  214.598   5.7436  125.490   6.6590  128.995   9.4883  122.087   9.3479  217.562   8.0708  211.633   8.1741 5.929092 11.48712 
1 1 1  -37    2   15 o   38.393   11.859  -1.2932   4.7182  -3.5367   6.7167   0.8925   6.6294   35.529   16.124   41.257   17.395 -5.728622 23.71874 
1 1 1  -37    2   16 o  103.906   12.692   31.411   6.8291   38.198   9.5626   24.347   9.7558  117.074   15.116   90.738   20.393 26.33687 25.38459 
1 1 1  -37    2   17 o   89.318   15.086   23.781   7.3126   17.029   10.223   30.856   10.465   75.969   22.959  102.667   19.578 -26.69827 30.17296 
1 1 1  -37    2   19 o  115.570   13.876   44.318   7.9438   14.104   11.643   70.631   10.865   71.301   24.738  159.839   12.580 -88.53887 27.75278 
1 1 1  -37    2   20 o   53.592   14.468   5.8088   5.7265   4.1291   7.3206   8.4572   9.1923   48.191   19.031   58.994   21.798 -10.80291 28.93660 
1 1 1  -37    2   21 o   96.448   10.111   26.049   5.2433   23.404   7.4751   28.610   7.3566   91.429   15.130  101.467   13.417 -10.03840 20.22230 
1 1 1  -37    2   22 o  131.115   7.7276   47.334   5.4723   49.345   7.8689   45.450   7.6153  133.820   10.882  128.409   10.975 5.410980 15.45527 
1 1 1  -37    2   23 o   69.490   13.065   14.321   4.9896   14.439   7.1424   14.209   6.9733   69.747   18.607   69.233   18.345 0.5144577 26.12990 
1 1 1  -37    2   24 o   76.510   12.445   17.450   5.0973   13.035   7.2262   21.822   7.1912   66.351   19.114   86.669   15.942 -20.31848 24.88952 
1 1 1  -37    2   25 o  119.135   8.5221   39.393   5.4861   39.773   7.7697   39.016   7.7473  119.718   12.010  118.552   12.094 1.166054 17.04418 
1 1 1  -37    2   26 o   66.199   13.823   13.577   5.8601   19.019   7.3047   3.7500   9.8157   80.207   17.358   52.191   21.519 28.01591 27.64693 
1 1 1  -37    2   27 o  255.724   5.9035  177.155   8.1100  202.145   12.261  157.719   10.813  271.566   8.3555  239.882   8.3420 31.68451 11.80694 
1 1 1  -37    2   28 o   46.763   12.696   1.2182   5.6771 -14.1081   9.2948   10.338   7.1700   33.774   16.377   59.752   19.405 -25.97802 25.39193 
1 1 1  -37    2   29 f   39.992   13.181  -6.7845   6.2267  -3.3536   11.484  -8.2133   7.4106   47.309   21.313   32.674   15.514 14.63575 26.36159 
1 1 1  -37    2   30 o  176.166   6.8425   85.242   6.4983   92.420   9.5799   79.123   8.8442  182.999   9.6878  169.332   9.6657 13.66782 13.68497 
1 1 1  -37    2   31 o   72.641   14.948   15.975   6.0938   15.001   7.7440   17.559   9.8752   70.148   19.647   75.134   22.534 -4.985466 29.89635 
1 1 1  -37    2   32 o  119.986   9.5411   41.548   5.8722   57.224   8.4340   26.799   8.1807  143.371   10.886   96.600   15.672 46.77084 19.08216 
1 1 1  -37    2   33 o   81.884   12.279   20.162   5.3792   15.081   7.6346   25.172   7.5804   70.027   19.471   93.742   14.965 -23.71555 24.55719 
1 1 1  -37    2   34 o  125.464   8.5042   44.327   5.7386   43.644   8.4914   44.901   7.7857  124.315   12.641  126.613   11.380 -2.298286 17.00837 
1 1 1  -37    2   35 o   44.565   13.040   2.2027   5.2634  -1.1196   7.4839   5.4545   7.4040   39.734   17.598   49.395   19.248 -9.660748 26.07954 
1 1 1  -37    2   36 o   59.983   13.533   10.253   5.2977   4.7620   7.4169   15.972   7.5695   48.207   19.118   71.759   19.161 -23.55237 27.06687 
1 1 1  -37    2   37 o  118.877   9.1076   40.069   5.8467   38.708   8.0936   41.554   8.4551  116.793   12.824  120.961   12.936 -4.167969 18.21521 
1 1 1  -37    2   38 o   52.272   13.885   6.8911   5.4624   3.7023   7.9260   9.7759   7.5386   47.062   19.363   57.483   19.908 -10.42032 27.77088 
1 1 1  -37    2   39 o   66.388   13.305   13.263   5.7097   3.8838   8.1139   22.464   8.0361   47.571   19.583   85.206   18.017 -37.63550 26.61038 
1 1 1  -37    2   40 o   55.704   14.564   8.5502   5.8966   5.8006   8.2441   11.430   8.4373   50.558   20.122   60.850   21.062 -10.29245 29.12895 
1 1 1  -37    2   41 o   81.876   11.926   21.675   5.9066   4.2859   8.3319   39.243   8.3747   47.711   19.762  116.041   13.356 -68.32919 23.85204 
1 1 1  -37    2   42 o   47.283   13.550   1.3846   5.9463  -6.3949   7.9666   11.171   8.9353   34.794   16.390   59.772   21.583 -24.97846 27.10082 
1 1 1  -37    2   43 o  127.171   9.8334   47.137   6.7056   54.638   9.6585   40.157   9.3171  137.529   12.997  116.813   14.760 20.71510 19.66678 
1 1 1  -37    2   44 o   36.296   12.167  -8.0142   6.3914  -9.8067   8.8494  -6.0596   9.2408   34.397   16.501   38.195   17.884 -3.798409 24.33343 
1 1 1  -37    2   45 o   49.443   15.124  -5.6285   8.9465   17.050   12.752 -27.6126   12.555   66.125   25.398   32.761   16.428 33.36354 30.24770 
1 1 1  -37    2   47 o   35.441   17.534 -20.3468   12.429   0.0000   0.0000 -20.3468   12.429  ?   ?    35.441   17.534      ?      ? 
1 1 1  -37    2   48 o  117.078   15.972   43.905   10.104   43.905   10.104   0.0000   0.0000  117.078   15.972  ?   ?       ?      ? 
1 1 1  -37    3    1 o   35.202   11.053  -2.1416   4.2452  -0.2680   6.0077  -4.0101   5.9995   37.720   16.250   32.684   14.987 5.036236 22.10572 
1 1 1  -37    3    2 o  104.124   8.5282   29.892   4.7778   28.619   6.9946   31.006   6.5418  101.942   12.698  106.305   11.388 -4.362442 17.05638 
1 1 1  -37    3    3 o  151.623   6.5180   62.214   5.3153   68.324   8.0043   57.395   7.1090  158.202   9.3631  145.044   9.0703 13.15848 13.03607 
1 1 1  -37    3    4 o   81.638   10.910   19.048   4.6522   25.413   6.6987   13.117   6.4659   96.044   12.907   67.232   17.594 28.81141 21.82053 
1 1 1  -37    3    5 o  134.570   7.0845   49.417   5.1443   53.265   7.4367   45.887   7.1237  139.609   9.8578  129.531   10.178 10.07817 14.16891 
1 1 1  -37    3    6 o  127.307   7.2829   44.072   4.9880   47.117   7.4926   41.649   6.6845  131.190   10.569  123.425   10.023 7.765320 14.56581 
1 1 1  -37    3    7 o  106.441   8.7555   31.580   4.9668   27.326   7.2949   35.256   6.7815   99.478   13.571  113.405   11.066 -13.92690 17.51092 
1 1 1  -37    3    8 o  163.789   6.4183   73.355   5.6670   70.389   8.1947   76.074   7.8454  160.542   9.4462  167.036   8.6919 -6.494278 12.83666 
1 1 1  -37    3    9 o  165.726   6.1975   75.151   5.5316   70.111   7.9592   79.860   7.6933  160.256   9.1911  171.196   8.3163 -10.93988 12.39503 
1 1 1  -37    3   10 o  128.913   7.4552   45.525   5.1834   45.547   7.5666   45.506   7.1150  128.887   10.864  128.939   10.212 -0.5244446E-01 14.91031 
1 1 1  -37    3   11 o  132.698   7.1981   48.258   5.1479   44.022   7.2452   52.577   7.3157  126.742   10.579  138.655   9.7641 -11.91302 14.39627 
1 1 1  -37    3   12 o  129.630   7.3637   45.763   5.1154   54.680   7.5349   38.139   6.9670  141.367   9.8638  117.894   10.936 23.47304 14.72739 
1 1 1  -37    3   13 o  121.343   7.9845   40.929   5.1578   37.039   7.7580   44.011   6.9047  115.909   12.386  126.776   10.079 -10.86729 15.96905 
1 1 1  -37    3   14 o  107.817   9.5301   32.387   5.1670   46.236   7.7205   21.151   6.9539  129.757   11.011   85.878   15.558 43.87911 19.06021 
1 1 1  -37    3   15 f   87.655   14.233   22.711   6.6127   20.227   9.3034   25.248   9.4008   82.547   20.851   92.763   19.379 -10.21613 28.46596 
1 1 1  -37    3   16 o  113.878   11.404   36.341   7.0090   38.108   9.8773   34.550   9.9475  116.784   15.652  110.972   16.589 5.812096 22.80725 
1 1 1  -37    3   17 o   90.212   14.095   23.910   6.6683   22.471   9.0107   25.653   9.9147   87.277   19.587   93.147   20.274 -5.869896 28.18987 
1 1 1  -37    3   18 o   39.454   13.276 -12.1198   7.5630 -12.2387   11.963 -12.0405   9.7612   42.130   19.918   36.779   17.559 5.350636 26.55268 
1 1 1  -37    3   19 o  172.035   9.5507   81.768   8.8183   85.270   13.377   79.077   11.727  175.058   14.141  169.011   12.841 6.047211 19.10139 
1 1 1  -37    3   20 o  116.380   12.832   38.341   7.9978   39.369   12.206   37.568   10.587  117.392   19.242  115.368   16.983 2.023827 25.66457 
1 1 1  -37    3   21 o  151.786   6.9706   63.107   5.7058   68.973   8.2543   57.738   7.8961  158.582   9.6325  144.990   10.078 13.59138 13.94113 
1 1 1  -37    3   22 o   59.761   12.986   9.6933   4.9647   15.502   7.0834   4.0848   6.9605   72.354   18.149   47.167   18.579 25.18645 25.97201 
1 1 1  -37    3   23 o   33.499   10.833  -8.3130   4.8543   1.1596   6.8951 -17.6225   6.8354   42.089   17.742   24.910   12.435 17.17912 21.66647 
1 1 1  -37    3   24 o   73.944   13.044   16.250   5.2296   19.109   7.4941   13.537   7.3013   80.377   17.730   67.510   19.137 12.86667 26.08796 
1 1 1  -37    3   25 o   72.531   15.091   15.668   6.1326   15.476   7.6122   16.025   10.352   71.916   19.220   73.145   23.272 -1.229012 30.18271 
1 1 1  -37    3   26 o   94.132   10.958   25.268   5.4221   29.224   7.9568   21.838   7.4085  101.906   14.450   86.358   16.477 15.54749 21.91540 
1 1 1  -37    3   27 o  128.968   9.5224   45.505   6.4383   51.486   10.713   42.122   8.0555  134.983   14.687  122.954   12.124 12.02923 19.04483 
1 1 1  -37    3   28 o  156.773   7.1922   68.197   6.0640   64.138   8.8375   71.809   8.3361  152.141   10.750  161.405   9.5579 -9.263916 14.38434 
1 1 1  -37    3   29 o  134.396   8.0336   50.654   5.7777   45.437   8.4665   55.202   7.9042  127.541   12.285  141.250   10.356 -13.70854 16.06716 
1 1 1  -37    3   30 o  108.831   11.490   32.348   6.3375   38.761   11.476   29.534   7.6018  115.328   18.415  102.334   13.747 12.99352 22.98027 
1 1 1  -37    3   31 o   40.246   12.362  -1.1449   5.1457   2.9842   7.4481  -4.9156   7.1175   45.765   18.792   34.727   16.067 11.03806 24.72462 
1 1 1  -37    3   32 o   45.874   13.745  -3.1446   5.9389  -9.1048   7.2122   9.4099   10.467   31.202   14.950   60.547   23.069 -29.34464 27.48938 
1 1 1  -37    3   33 o   93.202   12.018   26.926   5.7257   38.641   8.0412   14.878   8.1547  117.036   12.715   69.368   20.398 47.66816 24.03628 
1 1 1  -37    3   34 o   54.810   13.883   8.2708   5.2189   7.9414   7.3668   8.6026   7.3945   54.127   19.589   55.492   19.679 -1.365540 27.76695 
1 1 1  -37    3   35 o  106.810   10.001   32.712   5.7248   37.923   8.2019   27.762   7.9942  115.532   13.138   98.088   15.082 17.44369 20.00200 
1 1 1  -37    3   36 o   40.475   12.629  -1.1905   5.4663  -3.6953   7.7563   1.2814   7.7052   37.529   17.146   43.421   18.547 -5.892132 25.25806 
1 1 1  -37    3   37 o  134.788   8.3495   51.188   6.0751   48.092   8.4754   54.458   8.7125  130.499   12.019  139.077   11.593 -8.578308 16.69896 
1 1 1  -37    3   38 o   90.351   12.092   25.149   5.6837   33.840   8.0700   16.593   8.0063  108.424   13.774   72.279   19.879 36.14530 24.18434 
1 1 1  -37    3   39 f   83.185   12.693   21.227   5.6791   16.002   7.9095   26.787   8.1594   70.918   19.854   95.452   15.819 -24.53352 25.38533 
1 1 1  -37    3   40 o   68.186   14.281   15.019   5.6595   16.484   7.9548   13.517   8.0535   71.478   19.875   64.894   20.514 6.584717 28.56294 
1 1 1  -37    3   41 o   69.049   14.261   15.804   5.7727   19.133   8.0490   12.279   8.2838   76.548   19.426   61.551   20.882 14.99768 28.52105 
1 1 1  -37    3   42 o   32.635   11.137 -13.2573   5.9164 -21.2269   8.0107  -3.6932   8.7755   26.006   13.052   39.264   18.049 -13.25868 22.27349 
1 1 1  -37    3   43 o  128.012   13.250   47.438   9.1655   47.438   9.1655   0.0000   0.0000  128.012   13.250  ?   ?       ?      ? 
1 1 1  -37    3   44 o   38.962   12.631  -4.8296   6.1799 -10.3605   8.5060   1.3538   8.9938   33.046   15.936   44.878   19.602 -11.83180 25.26260 
1 1 1  -37    3   45 o   49.249   15.047  -7.4349   9.2647   18.140   12.772 -35.8333   13.459   66.846   25.479   31.651   16.012 35.19531 30.09303 
1 1 1  -37    3   47 o   53.560   16.768   5.4191   9.6677   9.1081   13.761   1.8241   13.585   56.925   24.558   50.194   22.838 6.731327 33.53659 
1 1 1  -37    3   48 f   46.677   13.677   2.1464   6.5380   13.100   9.1457  -9.3018   9.3499   59.067   21.758   34.288   16.577 24.77882 27.35342 
1 1 1  -37    4    1 o  171.772   5.9392   80.814   5.4857   74.597   7.9452   86.478   7.5832  165.337   8.8930  178.208   7.8748 -12.87096 11.87846 
1 1 1  -37    4    2 o  179.509   5.9058   87.668   5.7200   90.542   8.3681   85.147   7.8368  182.238   8.4976  176.779   8.2038 5.459396 11.81155 
1 1 1  -37    4    3 o   95.014   9.2100   24.891   4.7171   25.131   6.9303   24.683   6.4387   95.376   13.447   94.652   12.589 0.7243042 18.42008 
1 1 1  -37    4    4 o   75.971   11.291   16.622   4.4771   16.973   6.6017   16.322   6.0922   76.618   16.438   75.324   15.485 1.294121 22.58299 
1 1 1  -37    4    5 o   97.335   9.4058   27.081   4.6834   20.685   6.7757   32.933   6.4808   85.078   15.301  109.593   10.944 -24.51516 18.81166 
1 1 1  -37    4    6 o   45.944   12.286   3.7922   4.4502  -0.5763   6.6081   7.4179   6.0201   39.073   16.937   52.816   17.802 -13.74294 24.57190 
1 1 1  -37    4    7 o   67.583   12.569   13.384   4.6863   11.211   6.8581   15.287   6.4187   62.581   18.781   72.585   16.711 -10.00370 25.13898 
1 1 1  -37    4    8 o  105.190   8.7666   30.863   4.9136   25.908   7.1077   35.398   6.8003   96.797   13.589  113.582   11.080 -16.78448 17.53317 
1 1 1  -37    4    9 o  161.233   6.3526   71.417   5.4977   65.226   8.0085   76.936   7.5608  154.465   9.5947  168.001   8.3285 -13.53622 12.70520 
1 1 1  -37    4   10 o   57.338   12.116   8.3730   4.6623   0.8594   6.6462   15.653   6.5421   41.287   17.413   73.388   16.852 -32.10132 24.23231 
1 1 1  -37    4   11 o   71.023   12.362   14.517   4.7465   18.207   7.0198   11.410   6.4425   79.212   16.914   62.833   18.032 16.37876 24.72344 
1 1 1  -37    4   12 o  112.417   8.5163   34.518   5.1517   38.565   7.7037   31.244   6.9290  118.328   12.048  106.507   12.039 11.82050 17.03258 
1 1 1  -37    4   13 o   67.350   11.643   12.217   4.8464   22.109   7.0554   3.3808   6.6686   89.170   14.643   45.531   18.105 43.63910 23.28518 
1 1 1  -37    4   14 o  155.207   8.1396   65.312   6.7743   58.406   8.9370   74.640   10.386  145.741   11.348  164.672   11.672 -18.93097 16.27927 
1 1 1  -37    4   15 o   73.459   15.067   15.880   6.3672   13.734   9.0312   18.000   8.9781   69.013   21.712   77.906   20.896 -8.893196 30.13401 
1 1 1  -37    4   16 o  132.289   9.9713   48.521   7.1113   44.099   9.8394   53.356   10.289  125.898   14.463  138.680   13.731 -12.78252 19.94269 
1 1 1  -37    4   17 o   64.747   12.797   10.869   5.1178   20.171   7.7748   3.7559   6.7985   83.056   17.854   46.438   18.339 36.61804 25.59482 
1 1 1  -37    4   18 o  102.938   13.116   29.099   6.3067   33.919   12.495   27.451   7.3056  106.435   22.433   99.440   13.596 6.994591 26.23119 
1 1 1  -37    4   19 o   61.110   16.289   6.1268   7.6002   16.131   12.141  -0.3200   9.7461   74.862   25.281   47.357   20.548 27.50503 32.57854 
1 1 1  -37    4   20 o   91.511   15.313   26.582   8.0320   12.574   12.439   36.599   10.519   69.280   25.397  113.742   17.114 -44.46212 30.62504 
1 1 1  -37    4   21 o   77.793   12.651   17.899   5.2113   16.555   7.4608   19.180   7.2822   74.714   18.562   80.871   17.194 -6.156509 25.30175 
1 1 1  -37    4   22 o   56.091   12.951   7.4996   5.1051   14.737   7.2606   0.4231   7.1794   70.416   18.748   41.766   17.873 28.64997 25.90288 
1 1 1  -37    4   23 o  106.410   9.4072   31.598   5.4005   33.905   7.6934   29.358   7.5826  110.339   12.903  102.481   13.693 7.857910 18.81439 
1 1 1  -37    4   24 o  104.822   11.558   30.119   6.3821   26.714   8.0160   36.014   10.548   97.334   15.241  112.310   17.380 -14.97530 23.11609 
1 1 1  -37    4   25 f  137.756   8.2677   52.705   6.1160   45.527   8.5482   60.233   8.7542  127.921   12.367  147.590   10.977 -19.66965 16.53532 
1 1 1  -37    4   26 o  142.760   8.9365   55.523   6.6573   62.117   11.189   51.910   8.2828  148.674   13.928  136.847   11.201 11.82782 17.87297 
1 1 1  -37    4   27 o  155.882   7.3835   67.310   6.2092   64.855   8.9262   69.612   8.6430  152.999   10.797  158.765   10.074 -5.766388 14.76697 
1 1 1  -37    4   28 o   89.920   11.764   23.985   5.4974   17.296   7.7963   30.599   7.7529   75.596   19.083  104.244   13.763 -28.64793 23.52857 
1 1 1  -37    4   29 o   81.459   12.684   20.009   5.4408   17.283   7.8393   22.542   7.5573   75.489   19.179   87.430   16.604 -11.94087 25.36792 
1 1 1  -37    4   30 o  108.741   10.166   34.815   5.5297   23.442   7.8536   45.996   7.7872   88.920   16.964  128.563   11.209 -39.64328 20.33283 
1 1 1  -37    4   31 o   77.534   15.447   18.700   6.2783   17.908   12.338   18.977   7.2931   75.606   25.486   79.462   17.462 -3.855728 30.89398 
1 1 1  -37    4   32 f  153.866   7.9179   67.284   6.4219   51.610   9.1940   82.217   8.9739  135.401   12.566  172.330   9.6368 -36.92970 15.83571 
1 1 1  -37    4   33 o   54.614   14.879   7.0652   6.3675   10.022   8.0075   1.9806   10.501   58.996   20.513   50.232   21.559 8.763916 29.75844 
1 1 1  -37    4   34 o  167.323   7.2926   77.862   6.5757   86.155   9.5067   70.255   9.1051  176.003   9.9959  158.643   10.621 17.36079 14.58530 
1 1 1  -37    4   35 o   36.163   11.878  -5.5917   5.5957  -7.1345   7.8388  -3.9885   7.9906   34.483   16.247   37.842   17.331 -3.359585 23.75628 
1 1 1  -37    4   36 o   71.916   13.753   16.104   5.6016   11.870   7.9293   20.321   7.9144   62.512   20.412   81.320   18.436 -18.80782 27.50503 
1 1 1  -37    4   37 o   62.092   14.164   11.473   5.5894   16.004   8.1053   7.3648   7.7181   71.145   20.162   53.040   19.899 18.10550 28.32797 
1 1 1  -37    4   38 o   64.393   12.176   9.1073   5.8297  -5.7294   7.9257   26.597   8.6051   35.704   16.666   93.083   17.756 -57.37992 24.35229 
1 1 1  -37    4   39 o   77.506   14.141   19.198   5.9678   18.116   8.4067   20.297   8.4733   75.155   20.246   79.858   19.747 -4.703217 28.28126 
1 1 1  -37    4   40 f   43.289   13.219   0.1682   5.8636  -4.6781   8.1718   5.3115   8.4185   36.951   17.138   49.627   20.131 -12.67558 26.43786 
1 1 1  -37    4   41 o  116.644   10.250   40.305   6.4231   45.129   9.1184   35.554   9.0493  124.198   13.587  109.091   15.351 15.10714 20.50011 
1 1 1  -37    4   42 o   39.603   12.719  -5.5797   6.3390   3.0747   8.9340 -14.3539   8.9956   47.262   20.074   31.943   15.625 15.31845 25.43860 
1 1 1  -37    4   43 o   58.722   15.390   10.186   6.5470   7.8968   9.2196   12.515   9.2986   54.746   21.438   62.699   22.085 -7.953136 30.77903 
1 1 1  -37    4   44 o   65.147   17.027   12.977   7.6517   8.5353   9.3811   21.804   13.226   54.722   21.564   75.573   26.357 -20.85133 34.05450 
1 1 1  -37    4   45 o   38.570   18.797 -13.2027   12.670   0.0000   0.0000 -13.2027   12.670  ?   ?    38.570   18.797      ?      ? 
1 1 1  -37    4   47 o   48.222   15.372  -0.2658   9.1235 -12.8446   13.708   9.7365   12.224   40.511   19.700   55.933   23.604 -15.42280 30.74423 
1 1 1  -37    5    1 o  111.750   8.0285   33.814   4.8092   40.254   7.2879   28.847   6.4007  121.072   11.140  102.428   11.564 18.64371 16.05699 
1 1 1  -37    5    2 o  100.163   8.5425   27.546   4.6169   29.406   6.7396   25.901   6.3375  103.342   12.069   96.984   12.093 6.358459 17.08492 
1 1 1  -37    5    3 o   42.214   11.855   1.7719   4.3667  -3.2204   6.4471   6.0030   5.9354   35.068   15.868   49.359   17.617 -14.29177 23.70969 
1 1 1  -37    5    4 o   67.619   12.060   12.942   4.5343   18.550   6.7446   8.3183   6.1250   80.192   16.124   55.046   17.938 25.14574 24.11937 
1 1 1  -37    5    5 o   69.789   11.242   14.809   4.5049   5.7304   6.7828   21.975   6.0258   50.295   18.697   89.283   12.490 -38.98796 22.48482 
1 1 1  -37    5    6 o   94.300   9.9436   25.683   4.7735   19.330   6.9650   31.310   6.5551   81.846   16.321  106.754   11.363 -24.90817 19.88712 
1 1 1  -37    5    7 o   38.068   11.723  -1.4096   4.6501  -4.8023   6.7656   1.6281   6.4019   34.292   15.794   41.844   17.326 -7.552242 23.44503 
1 1 1  -37    5    8 o  154.666   6.5697   64.552   5.4450   71.661   8.3863   59.372   7.1592  161.878   9.5872  147.454   8.9850 14.42409 13.13945 
1 1 1  -37    5    9 o  113.847   8.3198   35.823   5.0643   34.471   7.6546   36.876   6.7537  111.762   12.675  115.933   10.781 -4.170601 16.63956 
1 1 1  -37    5   10 o   41.579   12.248   0.6505   4.6441   4.0282   6.9388  -2.0903   6.2505   47.321   18.578   35.837   15.965 11.48439 24.49576 
1 1 1  -37    5   11 o  180.934   6.0640   89.094   5.8984   91.641   8.8517   87.060   7.9107  183.175   8.9427  178.693   8.1926 4.482712 12.12809 
1 1 1  -37    5   12 o   46.487   12.994   3.5070   4.8266   5.2107   7.2431   2.1462   6.4733   50.103   19.166   42.871   17.552 7.232292 25.98838 
1 1 1  -37    5   13 o   63.209   15.850   10.443   6.8128   8.8446   9.9790   11.838   9.3239   60.920   22.672   65.497   22.155 -4.576427 31.69930 
1 1 1  -37    5   14 o  245.056   11.206   88.546   10.195  395.721   26.547   35.405   11.042  378.237   12.989  111.875   18.265 266.3627 22.41251 
1 1 1  -37    5   15 o  160.082   10.046   67.501   8.3515  101.441   13.461   46.261   10.649  191.457   13.012  128.707   15.311 62.75012 20.09296 
1 1 1  -37    5   16 o  160.551   9.3086   70.525   8.0759   0.0000   0.0000   70.525   8.0759  ?   ?   160.551   9.3086      ?      ? 
1 1 1  -37    5   17 o   54.877   13.532   7.5519   5.0187   10.518   7.3069   4.9028   6.9051   61.004   19.567   48.751   18.698 12.25296 27.06443 
1 1 1  -37    5   18 o  249.747   7.5906  172.186   9.1545  169.977   17.329  173.040   10.782  247.638   12.950  251.855   7.9222 -4.217667 15.18115 
1 1 1  -37    5   19 o   77.175   16.225   18.146   8.1525   4.9752   12.956   26.779   10.489   59.746   24.687   94.604   21.060 -34.85773 32.44951 
1 1 1  -37    5   20 o  245.043   8.4927  165.492   11.173  172.297   16.916  160.225   14.881  249.219   12.561  240.868   11.433 8.350906 16.98534 
1 1 1  -37    5   21 o  136.616   7.7685   51.467   5.7239   52.205   8.3822   50.822   7.8352  137.453   11.285  135.778   10.679 1.675247 15.53709 
1 1 1  -37    5   22 f   34.794   11.273  -6.3217   4.9781  -0.0586   7.2864 -11.8041   6.8172   41.340   17.852   28.248   13.771 13.09229 22.54651 
1 1 1  -37    5   23 o   65.273   15.056   11.554   5.9635   8.9765   7.4819   16.045   9.8749   57.420   19.836   73.127   22.655 -15.70723 30.11122 
1 1 1  -37    5   24 o   36.948   12.242  -7.3086   6.0183  -6.6367   7.7578  -8.3243   9.5375   35.222   16.457   38.674   18.127 -3.452282 24.48335 
1 1 1  -37    5   25 o   86.189   13.744   21.936   6.0620   23.874   10.100   20.845   7.5788   88.385   21.381   83.993   17.275 4.392120 27.48740 
1 1 1  -37    5   26 o   79.558   13.880   20.182   6.1489   12.417   10.218   24.591   7.6990   66.035   23.159   93.081   15.307 -27.04571 27.76063 
1 1 1  -37    5   27 o  186.132   6.5247   95.516   6.5516   90.249   9.3317  100.637   9.2004  180.943   9.5440  191.322   8.8993 -10.37856 13.04936 
1 1 1  -37    5   28 o  160.465   7.2004   71.238   6.2387   69.537   8.9245   72.864   8.7246  158.504   10.420  162.426   9.9404 -3.921661 14.40074 
1 1 1  -37    5   29 o  121.748   9.0426   41.836   5.8974   36.101   8.4040   47.399   8.2779  113.128   13.748  130.369   11.751 -17.24190 18.08518 
1 1 1  -37    5   30 o  176.644   6.8965   86.845   6.5372   77.816   9.4380   95.171   9.0635  167.470   10.429  185.818   9.0265 -18.34740 13.79305 
1 1 1  -37    5   31 o  138.761   8.4785   53.270   6.2892   65.468   9.4448   43.552   8.4300  153.084   11.418  124.438   12.537 28.64603 16.95694 
1 1 1  -37    5   32 o  138.860   10.759   53.315   7.3259   60.518   13.910   50.550   8.6179  143.497   17.939  134.223   11.882 9.274597 21.51739 
1 1 1  -37    5   33 o   49.912   14.722   3.6562   6.3900   4.2024   7.8868   2.6126   10.902   48.235   19.513   51.590   22.050 -3.355114 29.44391 
1 1 1  -37    5   34 o   42.757   13.242  -1.8142   6.2828   4.2010   8.0064 -11.4550   10.136   48.348   19.625   37.165   17.785 11.18274 26.48448 
1 1 1  -37    5   35 o   58.694   14.021   8.9519   5.6252   15.916   8.4297   3.3616   7.5528   71.220   20.681   46.168   18.937 25.05223 28.04124 
1 1 1  -37    5   36 o  139.371   8.3882   54.847   6.3033   53.112   9.1236   56.432   8.7185  137.029   12.322  141.713   11.385 -4.683228 16.77637 
1 1 1  -37    5   37 o   87.283   12.526   22.980   5.8040   28.824   8.5396   17.963   7.9123   99.076   15.951   75.489   19.317 23.58720 25.05143 
1 1 1  -37    5   38 o  188.112   7.2854   99.151   7.4041  101.914   10.550   96.470   10.394  190.737   10.236  185.487   10.370 5.250168 14.57077 
1 1 1  -37    5   39 o   71.451   14.008   15.931   6.1436   7.2777   8.5426   25.203   8.8420   53.366   20.708   89.536   18.870 -36.16916 28.01633 
1 1 1  -37    5   40 o  136.315   9.1978   53.927   6.7267   46.167   9.3471   62.265   9.6882  125.568   13.776  147.062   12.191 -21.49464 18.39557 
1 1 1  -37    5   41 o   45.543   13.889   1.7275   6.2625  -0.6792   8.6664   4.3576   9.0598   42.060   18.764   49.026   20.482 -6.966171 27.77720 
1 1 1  -37    5   42 o   44.363   19.709  -0.2472   9.4598  -0.2472   9.4598   0.0000   0.0000   44.363   19.709  ?   ?       ?      ? 
1 1 1  -37    5   43 o   69.966   23.155   16.637   10.191   16.637   10.191   0.0000   0.0000   69.966   23.155  ?   ?       ?      ? 
1 1 1  -37    5   44 o   47.706   15.266  -2.2433   8.9164   8.9572   12.723 -13.0541   12.500   56.435   23.962   38.977   18.921 17.45779 30.53184 
1 1 1  -37    5   45 o   49.050   22.881  -1.1295   14.901   0.0000   0.0000  -1.1295   14.901  ?   ?    49.050   22.881      ?      ? 
1 1 1  -37    5   46 o   37.611   18.465 -17.5495   12.916   0.0000   0.0000 -17.5495   12.916  ?   ?    37.611   18.465      ?      ? 
1 1 1  -37    5   47 o   66.902   18.330   19.433   9.5402   17.047   15.246   20.968   12.231   63.550   26.561   70.255   25.267 -6.704800 36.65906 
1 1 1  -37    6    1 o   58.617   11.683   7.5741   4.4758   18.308   7.0313   0.2616   5.8035   79.391   16.908   37.843   16.129 41.54799 23.36694 
1 1 1  -37    6    2 o  105.333   8.3096   30.735   4.6925   28.552   6.9244   32.589   6.3811  101.707   12.599  108.959   10.838 -7.251465 16.61927 
1 1 1  -37    6    3 o   46.870   12.085   3.7284   4.5725  -3.6176   6.9228   9.4130   6.0899   36.080   16.373   57.659   17.779 -21.57915 24.16945 
1 1 1  -37    6    4 o  181.150   6.0594   89.325   5.8987   91.575   8.8650   87.537   7.9018  183.109   8.9595  179.191   8.1605 3.918045 12.11884 
1 1 1  -37    6    5 o  174.042   6.2530   81.662   5.8340   91.021   8.9681   74.796   7.6815  182.525   9.0927  165.558   8.5864 16.96646 12.50609 
1 1 1  -37    6    6 o  107.822   8.8686   31.658   5.1296   35.762   7.8520   28.602   6.7753  113.796   12.769  101.847   12.311 11.94952 17.73729 
1 1 1  -37    6    7 o  182.625   6.0698   91.192   5.9718   88.379   8.7094   93.687   8.2041  179.881   8.9602  185.369   8.1904 -5.488480 12.13952 
1 1 1  -37    6    8 o   40.686   11.980  -1.2131   4.6300   5.6229   7.1880  -6.0605   6.0529   50.777   19.172   30.596   14.373 20.18168 23.96088 
1 1 1  -37    6    9 o  143.943   7.0869   56.523   5.4617   58.427   8.3649   55.108   7.2109  145.930   10.608  141.956   9.4005 3.973969 14.17383 
1 1 1  -37    6   10 o   48.923   13.009   4.4270   4.8196   8.5594   7.1967   1.0665   6.4898   56.723   19.462   41.124   17.268 15.59952 26.01820 
1 1 1  -37    6   11 o   56.847   19.547   8.5858   7.2620   8.5858   7.2620   0.0000   0.0000   56.847   19.547  ?   ?       ?      ? 
1 1 1  -37    6   12 o   42.307   12.802  -4.0786   6.0463 -16.6171   9.1537   5.6261   8.0532   32.267   15.779   52.347   20.163 -20.07980 25.60379 
1 1 1  -37    6   13 o  100.880   12.805   28.492   6.6546   43.243   10.245   17.725   8.7526  124.459   15.233   77.302   20.586 47.15709 25.60933 
1 1 1  -37    6   14 o   68.480   15.487   12.667   6.5441   18.376   10.137   8.5878   8.5687   78.500   22.646   58.459   21.132 20.04055 30.97381 
1 1 1  -37    6   15 o   50.050   13.264   3.0998   5.2060   11.192   8.2003  -2.3636   6.7379   63.151   20.764   36.949   16.510 26.20264 26.52784 
1 1 1  -37    6   16 o   99.788   9.8786   27.698   5.3030   27.732   7.8764   27.670   7.1723   99.707   14.619   99.868   13.290 -0.1606216 19.75719 
1 1 1  -37    6   17 o   74.658   12.749   16.158   5.1010   20.012   7.6352   13.050   6.8555   82.649   17.633   66.667   18.419 15.98205 25.49893 
1 1 1  -37    6   18 o   92.595   14.790   29.720   6.8241   14.523   13.548   34.886   7.8993   73.108   26.550  112.081   13.043 -38.97263 29.58036 
1 1 1  -37    6   19 o  114.902   14.694   39.313   8.5800   36.982   13.916   40.743   10.898  109.882   24.100  119.923   16.818 -10.04108 29.38738 
1 1 1  -37    6   20 o  144.636   11.867   59.921   9.0124   56.757   14.303   62.005   11.606  140.537   18.835  148.735   14.441 -8.197830 23.73356 
1 1 1  -37    6   21 o   63.967   13.877   12.006   5.2915   10.286   7.7162   13.533   7.2702   60.417   20.155   67.516   19.081 -7.099335 27.75498 
1 1 1  -37    6   22 o   55.809   14.812   7.4148   5.9691   7.5812   7.6874   7.1622   9.4728   54.865   19.987   56.754   21.866 -1.888206 29.62493 
1 1 1  -37    6   23 o   47.033   13.943   2.1377   5.9116   3.2710   7.5770   0.3748   9.4505   46.948   19.079   47.117   20.339 -0.1684456 27.88677 
1 1 1  -37    6   24 o   33.244   11.176  -9.4473   5.5869 -18.7995   9.4550  -4.4302   6.9252   31.625   15.579   34.863   16.029 -3.238186 22.35236 
1 1 1  -37    6   25 o   42.057   13.211  -1.5552   5.8032  -1.9651   9.6523  -1.3232   7.2623   44.708   19.884   39.407   17.399 5.301350 26.42150 
1 1 1  -37    6   26 o   74.228   13.198   16.145   5.3690   22.168   8.1235   11.473   7.1543   86.161   18.027   62.295   19.280 23.86659 26.39522 
1 1 1  -37    6   27 o   39.062   12.286  -1.8794   5.2337  -3.2610   7.5732  -0.6162   7.2411   37.920   17.174   40.204   17.574 -2.283939 24.57237 
1 1 1  -37    6   28 o  114.340   9.3853   36.682   5.7927   38.700   8.4185   34.867   7.9830  117.319   13.279  111.361   13.266 5.958031 18.77052 
1 1 1  -37    6   29 o   78.773   13.350   18.587   5.6060   22.274   8.4369   15.674   7.5013   85.791   18.725   71.754   19.034 14.03773 26.70047 
1 1 1  -37    6   30 o  212.227   6.3161  122.552   7.1864  137.504   11.042  111.564   9.4655  223.201   9.1551  201.253   8.7039 21.94812 12.63225 
1 1 1  -37    6   31 o   84.084   12.995   21.326   5.7109   23.168   8.6144   19.881   7.6281   87.156   18.840   81.012   17.902 6.144279 25.98921 
1 1 1  -37    6   32 o  118.273   12.983   43.060   6.7780   39.099   13.473   44.401   7.8426  110.691   23.265  125.855   11.532 -15.16370 25.96582 
1 1 1  -37    6   33 o  194.227   8.3908  105.536   7.9869  107.680   14.833  104.661   9.4781  193.966   14.152  194.488   9.0186 -0.5229034 16.78159 
1 1 1  -37    6   34 o   56.311   14.417   3.0907   6.3619  -5.7788   7.9408   18.986   10.631   35.977   16.757   76.644   23.466 -40.66664 28.83481 
1 1 1  -37    6   35 o  220.536   7.6378  134.350   8.7472  130.079   10.884  142.140   14.699  216.617   9.2985  224.455   12.119 -7.837708 15.27551 
1 1 1  -37    6   36 o   53.611   13.619   6.1948   5.8395  -3.0915   8.5863   14.186   7.9652   40.075   18.204   67.147   20.260 -27.07154 27.23732 
1 1 1  -37    6   37 o   75.797   13.627   18.388   5.7160   13.638   8.2720   22.729   7.9077   65.634   20.795   85.959   17.616 -20.32482 27.25360 
1 1 1  -37    6   38 o   40.520   12.756  -3.4995   5.8970   3.7568   8.6850  -9.7065   8.0325   48.341   20.112   32.698   15.696 15.64310 25.51202 
1 1 1  -37    6   39 o   80.965   13.992   21.297   6.0836   23.115   8.5197   19.406   8.6900   85.073   19.012   76.856   20.534 8.216438 27.98342 
1 1 1  -37    6   40 o   96.147   12.533   29.138   6.2925   34.215   8.7793   23.775   9.0236  107.132   15.165   85.163   19.957 21.96881 25.06512 
1 1 1  -37    6   41 o  131.277   9.9704   50.502   7.0613   49.033   10.167   51.872   9.8146  129.083   14.576  133.470   13.608 -4.386887 19.94090 
1 1 1  -37    6   42 o  123.162   15.121   44.800   10.063   44.800   10.063   0.0000   0.0000  123.162   15.121  ?   ?       ?      ? 
1 1 1  -37    6   43 o   47.551   15.115  -6.7098   7.6650 -14.7661   9.1372   12.426   14.082   31.785   15.589   63.318   25.901 -31.53345 30.23096 
1 1 1  -37    6   44 o   73.492   17.931   22.798   9.4791   31.216   12.760   12.430   14.161   87.521   25.452   59.463   25.265 28.05747 35.86285 
1 1 1  -37    6   46 o   62.966   17.590   14.003   9.7841   1.9845   14.934   23.041   12.950   51.461   23.615   74.470   26.075 -23.00912 35.17929 
1 1 1  -37    6   47 o   46.502   14.896  -9.3721   7.7708 -21.1986   9.2668   18.646   14.263   28.115   14.100   64.890   26.245 -36.77507 29.79246 
1 1 1  -37    7    1 o  111.235   8.5995   34.858   5.0413   29.823   7.6635   38.698   6.6934  103.701   13.676  118.769   10.429 -15.06786 17.19894 
1 1 1  -37    7    2 o  116.541   8.2395   38.039   5.0822   33.325   7.6982   41.681   6.7663  109.767   12.979  123.315   10.154 -13.54845 16.47896 
1 1 1  -37    7    4 o  136.790   7.2095   50.925   5.2909   54.258   8.0702   48.412   7.0068  140.604   10.622  132.977   9.7511 7.627045 14.41901 
1 1 1  -37    7    5 o  225.924   5.7557  140.073   6.9623  131.498   10.383  147.079   9.3851  219.438   8.7560  232.410   7.4730 -12.97192 11.51146 
1 1 1  -37    7    6 o   79.479   11.707   18.523   4.8967   15.025   7.4287   21.210   6.5116   71.512   18.928   87.446   13.780 -15.93326 23.41311 
1 1 1  -37    7    7 o  137.984   7.4163   51.796   5.4976   56.271   8.3401   48.357   7.3107  143.150   10.782  132.818   10.186 10.33192 14.83270 
1 1 1  -37    7    8 o  155.915   6.7349   66.659   5.6241   65.443   8.4938   67.608   7.5050  154.507   10.173  157.322   8.8282 -2.814743 13.46979 
1 1 1  -37    7    9 o  123.142   12.243   41.845   8.1467   41.845   8.1467   0.0000   0.0000  123.142   12.243  ?   ?       ?      ? 
1 1 1  -37    7   10 o   65.803   13.176   9.6245   5.7867  -0.3730   7.5786   23.604   8.9615   41.980   18.167   89.626   19.088 -47.64642 26.35199 
1 1 1  -37    7   11 o  263.663   7.4814  190.284   10.638  174.752   14.631  207.703   15.495  252.222   10.735  275.104   10.423 -22.88225 14.96286 
1 1 1  -37    7   12 f  107.183   12.474   33.065   6.9519   40.090   9.9533   26.374   9.7140  119.750   15.382   94.617   19.642 25.13369 24.94821 
1 1 1  -37    7   13 o   37.565   12.277  -6.5921   5.5130  -1.9671   9.4108  -9.0086   6.8025   44.728   19.775   30.402   14.554 14.32642 24.55334 
1 1 1  -37    7   14 o   92.868   11.123   24.930   5.3138   22.396   8.2020   26.763   6.9758   87.495   17.950   98.242   13.140 -10.74764 22.24570 
1 1 1  -37    7   15 o  145.107   7.4640   58.469   5.7228   54.818   8.9264   61.016   7.4570  140.932   11.721  149.282   9.2442 -8.349792 14.92803 
1 1 1  -37    7   16 o  206.765   6.1504  116.091   6.7990  122.500   10.516  111.487   8.9125  211.484   9.2017  202.045   8.1633 9.439362 12.30087 
1 1 1  -37    7   17 o   68.615   13.055   14.412   5.2726   7.3035   8.1249   19.584   6.9301   55.175   20.473   82.055   16.204 -26.87947 26.10956 
1 1 1  -37    7   18 o  145.905   12.122   61.670   9.2144   55.225   14.637   65.901   11.859  138.374   19.575  153.436   14.304 -15.06226 24.24420 
1 1 1  -37    7   19 o  172.999   10.570   85.074   9.5928   79.842   15.231   88.513   12.350  167.645   16.813  178.352   12.815 -10.70735 21.13976 
1 1 1  -37    7   20 f  128.992   10.963   49.267   7.2231   58.413   9.4750   36.577   11.161  145.084   12.086  112.899   18.294 32.18465 21.92588 
1 1 1  -37    7   21 o  119.364   8.9202   40.126   5.6752   35.534   8.4111   43.963   7.6893  112.673   13.815  126.055   11.289 -13.38242 17.84045 
1 1 1  -37    7   22 o  127.137   9.7758   44.904   6.5838   43.368   8.4522   47.275   10.499  124.802   12.533  129.473   15.006 -4.671379 19.55169 
1 1 1  -37    7   23 o  129.954   9.3067   45.640   6.3596   54.279   10.565   40.730   7.9641  138.951   14.071  120.956   12.185 17.99505 18.61333 
1 1 1  -37    7   24 o   63.207   14.103   12.050   5.8351   4.0541   9.7361   16.531   7.2893   52.209   21.468   74.205   18.295 -21.99690 28.20550 
1 1 1  -37    7   25 o   83.398   12.693   21.324   5.6181   15.546   8.5658   25.687   7.4424   71.474   20.874   95.322   14.449 -23.84850 25.38679 
1 1 1  -37    7   26 o   35.244   11.564  -5.8172   5.2739  -3.4636   7.7197  -7.8771   7.2220   38.106   17.291   32.383   15.358 5.723507 23.12709 
1 1 1  -37    7   27 o  124.806   8.6660   43.385   5.8229   45.306   8.6819   41.815   7.8503  127.176   12.633  122.435   11.866 4.741051 17.33194 
1 1 1  -37    7   28 o   53.763   13.809   6.5138   5.5167   12.103   7.9627   1.3547   7.6503   63.721   20.425   43.804   18.589 19.91703 27.61782 
1 1 1  -37    7   29 o  104.012   10.974   31.976   5.8584   25.314   8.5084   37.983   8.0784   91.895   17.777  116.129   12.874 -24.23420 21.94888 
1 1 1  -37    7   30 o  147.486   7.8790   60.899   6.2527   58.289   9.1434   63.192   8.5698  144.253   11.730  150.719   10.522 -6.466232 15.75795 
1 1 1  -37    7   31 o  128.350   8.6328   46.114   5.9256   55.808   8.7080   37.755   8.0866  141.170   11.415  115.530   12.953 25.64027 17.26565 
1 1 1  -37    7   32 o   62.659   13.789   11.792   5.5578   5.6757   8.1832   17.028   7.5722   51.079   20.136   74.240   18.843 -23.16116 27.57793 
1 1 1  -37    7   33 o   53.752   15.684   3.0417   6.4080   12.126   13.298   0.2945   7.3130   66.388   25.816   41.116   17.820 25.27254 31.36885 
1 1 1  -37    7   34 o   70.459   14.474   4.0017   6.6179   36.892   13.495  -6.4130   7.5938  106.487   24.024   34.432   16.150 72.05531 28.94762 
1 1 1  -37    7   35 o   44.416   13.425  -2.3950   6.6581   7.3597   8.5832 -17.1329   10.550   54.194   20.832   34.637   16.939 19.55639 26.84932 
1 1 1  -37    7   36 o  121.439   11.858   41.579   7.2808   28.648   9.2596   62.523   11.784   96.282   18.469  146.596   14.876 -50.31348 23.71517 
1 1 1  -37    7   37 o   85.274   13.514   22.839   6.0729   22.787   8.5438   22.892   8.6337   85.221   19.034   85.328   19.190 -0.1073303 27.02860 
1 1 1  -37    7   38 o  139.591   9.3883   56.996   6.8769   42.113   9.6847   72.132   9.7667  119.731   14.969  159.452   11.335 -39.72042 18.77657 
1 1 1  -37    7   39 o  104.667   11.456   32.991   6.4695   30.679   8.9289   35.545   9.3869  100.673   16.413  108.662   15.987 -7.989540 22.91229 
1 1 1  -37    7   40 o   42.132   13.317  -1.4040   6.3320  -5.3977   9.2487   2.1196   8.6872   38.793   18.073   45.471   19.565 -6.678608 26.63499 
1 1 1  -37    7   41 o  106.321   17.343   34.295   9.9637   34.295   9.9637   0.0000   0.0000  106.321   17.343  ?   ?       ?      ? 
1 1 1  -37    7   42 o   52.493   15.071   6.3599   6.7160   4.6719   9.6456   7.9483   9.3568   50.330   21.088   54.656   21.537 -4.326229 30.14216 
1 1 1  -37    7   43 o   62.635   17.145   11.684   8.9696   1.0421   12.040   24.955   13.445   47.749   21.638   77.521   26.601 -29.77187 34.29045 
1 1 1  -37    7   44 o   47.070   15.242  -0.6216   8.6980  -5.0856   11.600   5.1126   13.147   41.937   19.761   52.203   23.212 -10.26672 30.48421 
1 1 1  -37    7   45 o   45.036   15.359 -15.4289   10.254   4.6396   17.261 -26.3739   12.747   56.343   25.678   33.729   16.860 22.61385 30.71807 
1 1 1  -37    7   46 o   71.656   19.151   23.483   10.192   22.218   15.763   24.392   13.361   69.096   27.715   74.215   26.438 -5.119209 38.30218 
1 1 1  -37    8    1 o   51.180   11.993   5.4555   4.7765  -4.7748   7.3873   12.805   6.2613   36.177   16.604   66.183   17.310 -30.00581 23.98622 
1 1 1  -37    8    2 o  163.382   6.7327   73.916   5.8281   68.305   8.9771   78.005   7.6626  157.720   10.533  169.044   8.3886 -11.32367 13.46537 
1 1 1  -37    8    3 o  170.722   6.4068   78.048   5.8326   89.958   9.2055   70.059   7.5390  181.303   9.3963  160.142   8.7121 21.16077 12.81367 
1 1 1  -37    8    4 o  117.060   8.3031   36.736   5.1650   43.633   8.2762   32.336   6.6103  125.724   12.182  108.396   11.285 17.32830 16.60621 
1 1 1  -37    8    5 o   73.783   12.837   15.882   5.0396   16.799   7.7442   15.209   6.6372   75.463   19.003   72.102   17.264 3.360794 25.67383 
1 1 1  -37    8    6 o   55.069   12.940   8.0391   4.8932   1.8811   7.7078   12.196   6.3330   45.486   18.938   64.651   17.638 -19.16475 25.87936 
1 1 1  -37    8    7 o  211.641   5.9654  122.770   6.7671  118.086   10.125  126.552   9.0975  207.822   9.0159  215.460   7.8139 -7.637512 11.93078 
1 1 1  -37    8    8 o  165.064   7.7708   75.111   6.9041   77.369   9.4477   72.523   10.114  167.880   10.414  162.247   11.536 5.633438 15.54162 
1 1 1  -37    8    9 o   55.720   14.273   5.5141   6.2653  -3.1464   8.9137   13.971   8.8082   42.181   18.908   69.260   21.386 -27.07824 28.54635 
1 1 1  -37    8   10 o   64.751   15.099   11.728   6.0979   12.773   9.1878   10.905   8.1523   67.018   21.976   62.485   20.711 4.533337 30.19772 
1 1 1  -37    8   11 o  207.344   7.7610  118.326   8.6774  117.883   12.672  118.716   11.907  206.854   11.337  207.835   10.602 -0.9818573 15.52209 
1 1 1  -37    8   12 o  120.619   8.7717   38.735   5.6074   50.431   8.9644   31.217   7.1871  135.041   12.285  106.197   12.524 28.84361 17.54346 
1 1 1  -37    8   13 o  133.287   7.9186   47.761   5.6012   55.323   9.0114   42.999   7.1502  141.533   11.783  125.040   10.582 16.49326 15.83723 
1 1 1  -37    8   14 o   85.452   18.522   21.550   8.3059   21.550   8.3059   0.0000   0.0000   85.452   18.522  ?   ?       ?      ? 
1 1 1  -37    8   15 o  125.235   8.6211   45.632   5.5293   32.723   8.3853   55.564   7.3549  108.169   14.346  142.300   9.5650 -34.13157 17.24223 
1 1 1  -37    8   16 o  188.301   6.3153   96.577   6.3576  100.983   9.8181   93.396   8.3429  191.815   9.4723  184.788   8.3552 7.026840 12.63069 
1 1 1  -37    8   17 o  119.747   8.9447   38.578   5.6734   46.626   9.2087   33.654   7.2028  129.343   13.175  110.151   12.101 19.19219 17.88934 
1 1 1  -37    8   18 o  159.229   11.907   75.743   9.5976   58.356   15.345   86.914   12.300  141.796   20.028  176.663   12.885 -34.86700 23.81441 
1 1 1  -37    8   19 o   44.109   14.574 -10.1687   8.0735  -3.3581   13.727 -13.7703   9.9826   52.267   23.445   35.952   17.319 16.31470 29.14777 
1 1 1  -37    8   20 o   56.773   14.667   6.9920   6.7138   13.841   8.3678  -5.3829   11.248   68.237   20.806   45.309   20.680 22.92701 29.33483 
1 1 1  -37    8   21 o   83.260   13.630   21.655   6.3461   29.113   8.4462   11.986   9.6169  101.436   15.409   65.084   22.488 36.35179 27.26094 
1 1 1  -37    8   22 o   90.141   11.900   23.685   5.6249   22.942   8.4561   24.275   7.5333   87.669   18.435   92.613   15.053 -4.943138 23.79984 
1 1 1  -37    8   23 o  144.445   8.7276   58.082   6.4491   58.761   11.072   57.733   7.9341  144.332   14.196  144.559   10.157 -0.2272797 17.45518 
1 1 1  -37    8   24 o  164.919   7.1709   74.892   6.3436   77.394   9.6331   72.977   8.4293  167.146   10.666  162.691   9.5882 4.454697 14.34184 
1 1 1  -37    8   25 o  165.637   7.0872   75.484   6.2709   77.893   9.6859   73.745   8.2281  167.650   10.692  163.623   9.3061 4.027145 14.17446 
1 1 1  -37    8   26 o   46.688   13.160   2.6717   5.3930  -3.3377   7.8906   7.9398   7.3879   38.664   17.519   54.713   19.641 -16.04911 26.31941 
1 1 1  -37    8   27 o  117.305   9.4422   39.537   5.8561   33.329   8.7281   44.619   7.8976  108.153   14.935  126.458   11.557 -18.30486 18.88434 
1 1 1  -37    8   28 o  151.238   7.8375   65.018   6.2668   53.975   9.2883   74.246   8.4906  138.629   12.399  163.846   9.5899 -25.21718 15.67504 
1 1 1  -37    8   29 o   91.814   12.144   25.600   5.7640   20.660   8.6769   29.501   7.7113   81.775   19.839  101.853   14.011 -20.07761 24.28733 
1 1 1  -37    8   30 o  141.603   8.3116   56.439   6.3237   54.387   9.3442   58.172   8.5896  138.900   12.449  144.305   11.015 -5.404572 16.62310 
1 1 1  -37    8   31 o   68.032   14.597   14.171   5.8669   17.295   8.6938   11.559   7.9502   74.126   20.837   61.938   20.449 12.18753 29.19483 
1 1 1  -37    8   32 o   74.935   12.896   17.586   5.6966   8.2966   8.3806   25.565   7.7669   55.828   20.777   94.043   15.284 -38.21492 25.79284 
1 1 1  -37    8   33 o   41.818   12.898  -0.7608   5.6965  -5.9378   8.6736   3.1659   7.5540   37.781   17.569   45.855   18.889 -8.073624 25.79598 
1 1 1  -37    8   34 o   58.540   14.975   9.5120   6.8794  -5.7477   13.348   15.031   8.0276   47.893   22.104   69.186   20.208 -21.29266 29.94915 
1 1 1  -37    8   35 o   79.151   16.510   20.574   7.1206   20.423   13.598   20.631   8.3581   77.382   26.741   80.920   19.372 -3.538078 33.02035 
1 1 1  -37    8   36 o   49.693   15.062   1.7267   7.1035  -1.4984   9.0573   6.8806   11.450   42.674   19.100   56.711   23.295 -14.03695 30.12403 
1 1 1  -37    8   37 o   49.994   14.612   2.9296   7.1423   9.8149   8.8994  -9.5315   11.972   58.076   21.450   41.912   19.848 16.16414 29.22435 
1 1 1  -37    8   38 o   43.899   13.649   0.6531   6.2502  -0.0558   9.2334   1.2526   8.4914   43.872   19.483   43.927   19.120 -0.5485535E-01 27.29742 
1 1 1  -37    8   39 o   50.248   14.480   4.7160   6.3435   9.4732   9.3304   0.6269   8.6503   57.007   21.766   43.490   19.104 13.51662 28.96036 
1 1 1  -37    8   40 o   61.597   14.619   9.8896   6.5917   21.049   9.6774   0.2310   9.0031   79.236   21.881   43.958   19.393 35.27726 29.23798 
1 1 1  -37    8   41 o   30.315   10.657 -20.8522   6.6696 -13.8872   9.6977 -27.1037   9.1876   33.929   16.515   26.702   13.475 7.226698 21.31495 
1 1 1  -37    8   42 o  103.224   17.610   38.572   9.7868   29.617   12.982   50.360   14.896   87.931   25.703  118.517   24.080 -30.58644 35.22036 
1 1 1  -37    8   43 o   70.440   18.131   18.922   9.9520   5.7838   13.565   34.234   14.645   52.648   23.482   88.232   27.631 -35.58405 36.26137 
1 1 1  -37    8   44 o   37.851   12.970 -11.8773   7.6435  -6.3649   12.700 -15.0079   9.5709   43.454   20.537   32.248   15.845 11.20543 25.93905 
1 1 1  -37    8   45 o   61.736   18.005   14.333   9.9051   10.077   15.086   17.559   13.133   57.720   25.295   65.752   25.631 -8.031300 36.01028 
1 1 1  -37    8   46 o   47.588   15.391  -1.5069   9.7318 -18.0833   14.959   10.658   12.814   39.307   19.408   55.869   23.893 -16.56228 30.78180 
1 1 1  -37    9    1 o   95.536   10.965   27.844   5.1379   18.926   8.0347   34.013   6.6829   79.962   18.895  111.109   11.131 -31.14754 21.92961 
1 1 1  -37    9    2 o   72.665   12.851   15.106   4.9720   18.513   7.8804   12.853   6.4085   79.137   18.721   66.192   17.609 12.94559 25.70124 
1 1 1  -37    9    3 o   47.496   13.032   3.4552   4.7739   7.7664   7.7248   0.7913   6.0722   55.599   20.069   39.393   16.630 16.20597 26.06436 
1 1 1  -37    9    4 o   92.989   10.928   24.625   5.2501   24.302   8.2430   24.845   6.8102   91.390   17.326   94.588   13.324 -3.198349 21.85652 
1 1 1  -37    9    5 o   85.505   11.737   22.288   5.0913   15.913   8.1044   26.444   6.5438   73.246   19.940   97.765   12.387 -24.51920 23.47450 
1 1 1  -37    9    6 o  127.313   9.0628   44.925   6.2344   45.252   8.7926   44.595   8.8413  127.800   12.732  126.826   12.901 0.9732666 18.12559 
1 1 1  -37    9    7 o  135.083   9.6837   52.076   6.8352   38.176   9.8471   65.000   9.4953  116.640   15.623  153.525   11.446 -36.88491 19.36732 
1 1 1  -37    9    8 o  128.265   9.9214   46.018   6.8247   44.234   10.173   47.477   9.2030  125.726   14.974  130.805   13.020 -5.079315 19.84284 
1 1 1  -37    9    9 o   64.785   14.108   9.9536   6.2100   21.205   9.2565   0.7450   8.3741   84.199   20.530   45.370   19.356 38.82912 28.21600 
1 1 1  -37    9   10 o   76.332   13.017   18.591   5.5149   9.6329   9.3510   23.368   6.8290   61.086   22.076   91.578   13.800 -30.49182 26.03457 
1 1 1  -37    9   11 o   48.670   12.911   2.3960   5.0179   11.134   7.9415  -3.4108   6.4740   62.585   20.427   34.756   15.795 27.82914 25.82158 
1 1 1  -37    9   12 o  122.243   8.4454   40.664   5.4631   44.768   8.8169   38.106   6.9602  126.933   12.854  117.553   10.957 9.379700 16.89080 
1 1 1  -37    9   13 o  117.608   8.9883   38.834   5.6322   35.443   8.4647   41.529   7.5447  112.631   13.908  122.585   11.390 -9.954102 17.97660 
1 1 1  -37    9   14 o   54.182   14.056   7.2567   5.3408   6.5727   8.4204   7.7170   6.9082   54.209   20.682   54.154   19.040 0.5469894E-01 28.11154 
1 1 1  -37    9   15 o  177.078   6.6200   85.660   6.2510   88.662   9.7267   83.548   8.1590  179.502   10.028  174.655   8.6450 4.847397 13.23993 
1 1 1  -37    9   16 o  136.581   8.1631   52.213   5.8437   49.126   9.3211   54.213   7.5009  132.779   12.991  140.383   9.8881 -7.604446 16.32629 
1 1 1  -37    9   17 o  114.140   13.882   36.283   6.6148   41.779   15.197   34.999   7.3472  116.000   24.983  112.279   12.110 3.721451 27.76338 
1 1 1  -37    9   18 o   54.086   15.543   1.2368   8.3228 -17.4437   13.874   11.739   10.402   42.752   20.550   65.420   23.326 -22.66873 31.08652 
1 1 1  -37    9   19 o   54.983   16.398  -2.3568   8.5672   12.664   14.244 -10.8716   10.724   70.279   26.878   39.687   18.791 30.59187 32.79567 
1 1 1  -37    9   20 o   39.294   12.457  -7.3589   6.3551   3.0461   8.0036 -25.1126   10.455   47.397   19.474   31.191   15.540 16.20566 24.91429 
1 1 1  -37    9   21 o  171.659   8.2778   79.899   7.5699   64.786   9.9026  101.149   11.742  152.488   12.018  190.831   11.387 -38.34334 16.55560 
1 1 1  -37    9   22 o   56.440   12.506   7.3037   5.8136 -12.0068   9.9491   17.316   7.1640   36.817   17.618   76.063   17.753 -39.24656 25.01173 
1 1 1  -37    9   23 o   72.786   13.631   16.520   5.6511   10.647   8.5826   21.015   7.5085   61.381   21.242   84.190   17.088 -22.80911 27.26254 
1 1 1  -37    9   24 f   73.630   13.433   15.943   5.3202   19.554   8.4065   13.530   6.8713   80.178   19.574   67.081   18.402 13.09732 26.86571 
1 1 1  -37    9   25 o  103.816   10.166   30.056   5.6440   36.789   8.5535   24.862   7.5113  114.120   13.871   93.513   14.865 20.60689 20.33116 
1 1 1  -37    9   26 o  115.618   9.5646   39.036   5.7479   30.681   8.7241   45.446   7.6408  103.475   15.603  127.761   11.068 -24.28626 19.12930 
1 1 1  -37    9   27 o   39.907   12.158  -3.6209   5.4915 -14.5652   8.1893   5.3216   7.4025   30.321   14.848   49.493   19.257 -19.17162 24.31649 
1 1 1  -37    9   28 o  132.878   8.4620   49.353   6.0222   51.028   9.2048   48.100   7.9629  134.546   12.661  131.211   11.231 3.334976 16.92408 
1 1 1  -37    9   29 o  145.878   12.017   59.836   9.4728   59.836   9.4728   0.0000   0.0000  145.878   12.017  ?   ?       ?      ? 
1 1 1  -37    9   30 o   61.293   14.403   10.665   5.6533   15.303   8.6240   7.1705   7.4862   69.885   21.080   52.702   19.632 17.18287 28.80630 
1 1 1  -37    9   31 o   62.482   14.337   11.893   5.7952   7.0192   8.8343   15.575   7.6781   54.201   21.051   70.763   19.469 -16.56239 28.67393 
1 1 1  -37    9   32 o   42.029   13.139  -0.8668   5.8256  -0.8104   8.8726  -0.9096   7.7236   43.460   19.209   40.598   17.934 2.862522 26.27894 
1 1 1  -37    9   33 o   46.106   13.203   0.5566   5.8542  -8.7924   8.3704   9.5085   8.1907   34.506   16.414   57.707   20.685 -23.20100 26.40637 
1 1 1  -37    9   34 o   34.631   11.616  -8.1280   5.8512  -9.2532   8.4990  -7.1140   8.0676   34.355   16.397   34.906   16.458 -0.5505943 23.23212 
1 1 1  -37    9   35 f   76.337   16.726   15.107   7.0263   31.712   14.043   9.5622   8.1150   95.356   26.369   57.318   20.584 38.03814 33.45224 
1 1 1  -37    9   36 o   56.503   14.348   8.1809   6.9776 -14.5991   13.772   16.048   8.0933   42.365   20.391   70.642   20.191 -28.27703 28.69651 
1 1 1  -37    9   37 o   49.151   14.446  -7.7118   7.1640 -20.8086   8.8658   16.928   12.161   28.330   14.146   69.972   25.191 -41.64148 28.89104 
1 1 1  -37    9   38 o   42.956   14.051  -4.4326   7.1836  -6.5448   8.8058  -0.2302   12.421   36.705   17.272   49.207   22.167 -12.50142 28.10147 
1 1 1  -37    9   39 o   59.165   15.609   10.297   6.6869   12.768   10.013   8.3081   8.9835   63.246   22.847   55.084   21.274 8.161980 31.21802 
1 1 1  -37    9   40 o   46.270   13.588  -4.5647   6.7056   12.341   9.9658 -18.5505   9.0645   62.601   22.765   29.939   14.841 32.66230 27.17517 
1 1 1  -37    9   41 o   46.785   15.044  -2.8538   7.9908  -7.6908   9.9731   5.8198   13.355   38.158   18.083   55.413   24.049 -17.25439 30.08890 
1 1 1  -37    9   42 o   74.069   19.229   24.392   10.091   24.437   14.246   24.347   14.295   74.160   27.180   73.978   27.209 0.1824799 38.45880 
1 1 1  -37    9   43 o   46.963   15.381  -3.2454   9.2422  -8.9347   12.355   3.9820   13.926   41.146   19.675   52.779   23.648 -11.63328 30.76272 
1 1 1  -37    9   44 o   58.506   16.332   5.1387   9.8467 -20.4910   14.907   24.977   13.115   39.311   19.403   77.701   26.276 -38.39003 32.66343 
1 1 1  -37    9   45 o   52.193   16.487   5.5754   9.9331  -3.8063   15.698   11.840   12.828   47.070   22.416   57.316   24.183 -10.24606 32.97378 
1 1 1  -37   10    1 o   57.225   13.645   8.7963   4.9360   10.641   7.7671   7.5468   6.3930   61.297   20.211   53.153   18.337 8.143883 27.28971 
1 1 1  -37   10    2 o   91.428   10.762   23.141   5.1397   27.889   8.1708   20.032   6.6116   99.600   15.182   83.256   15.258 16.34395 21.52447 
1 1 1  -37   10    3 o   32.494   10.860  -9.4993   4.8440  -2.2567   7.8891 -13.8821   6.1370   40.249   17.933   24.739   12.254 15.50996 21.72008 
1 1 1  -37   10    4 o   70.379   14.338   14.701   5.7262   14.943   8.5961   14.509   7.6777   70.875   20.971   69.883   19.559 0.9912491 28.67699 
1 1 1  -37   10    5 o  122.802   9.9728   41.006   6.5184   52.252   10.157   33.131   8.4995  136.835   13.737  108.771   14.461 28.06396 19.94554 
1 1 1  -37   10    6 o   55.112   14.913   6.7652   6.1496   5.8423   9.6703   7.3919   7.9685   55.187   21.847   55.037   20.304 0.1497383 29.82516 
1 1 1  -37   10    7 o  127.512   10.135   45.638   6.9047   44.640   10.508   46.396   9.1596  125.924   15.443  129.100   13.130 -3.176079 20.27005 
1 1 1  -37   10    8 o  170.168   12.752   80.495   11.725   80.495   11.725   0.0000   0.0000  170.168   12.752  ?   ?       ?      ? 
1 1 1  -37   10    9 o  197.707   7.9757  106.813   8.5207   0.0000   0.0000  106.813   8.5207  ?   ?   197.707   7.9757      ?      ? 
1 1 1  -37   10   10 o  106.552   9.6806   32.218   5.4095   29.329   8.5174   34.171   7.0032  102.005   15.452  111.099   11.665 -9.093636 19.36128 
1 1 1  -37   10   11 o   66.680   12.835   11.019   5.1351   22.602   8.3625   4.0069   6.5063   87.398   18.294   45.963   18.006 41.43493 25.66906 
1 1 1  -37   10   12 o   58.101   12.182   9.0051   5.1179  -2.9853   8.0491   17.143   6.6310   39.787   17.891   76.414   16.539 -36.62710 24.36449 
1 1 1  -37   10   13 o   60.642   12.208   6.9679   5.2065   21.583   8.1460  -3.1261   6.7697   85.356   18.216   35.927   16.258 49.42916 24.41604 
1 1 1  -37   10   14 o   34.238   11.307  -6.1011   5.1176  -8.2539   8.0652  -4.6501   6.6214   34.731   16.400   33.745   15.572 0.9854889 22.61493 
1 1 1  -37   10   15 o   95.913   11.390   26.987   5.5258   24.253   8.8718   28.720   7.0632   90.316   18.790  101.510   12.877 -11.19430 22.77913 
1 1 1  -37   10   16 o   32.401   10.903  -8.4916   5.2000 -13.2878   8.5157  -5.6399   6.5663   32.286   15.660   32.515   15.175 -0.2286072 21.80652 
1 1 1  -37   10   17 o   51.429   15.808  -9.7810   8.4100   12.214   14.692 -20.5000   10.257   70.044   27.163   32.814   16.177 37.22943 31.61563 
1 1 1  -37   10   18 o   54.000   16.701  -0.6303   8.7505   5.1982   15.203  -3.5180   10.701   62.406   26.328   45.593   20.554 16.81304 33.40107 
1 1 1  -37   10   19 o   40.080   18.289  -4.3856   8.7913  -4.3856   8.7913   0.0000   0.0000   40.080   18.289  ?   ?       ?      ? 
1 1 1  -37   10   20 o   77.792   14.434   19.122   6.6628   27.155   8.9180   8.9730   10.024   95.645   17.913   59.939   22.638 35.70620 28.86798 
1 1 1  -37   10   21 o   53.061   14.638   6.0227   5.7845   5.9842   10.189   6.0409   7.0267   55.600   22.289   50.522   18.981 5.078140 29.27542 
1 1 1  -37   10   22 o  176.155   8.0233   84.790   7.1208   90.473   12.760   82.220   8.5814  179.510   13.154  172.801   9.1902 6.708160 16.04661 
1 1 1  -37   10   23 o   44.406   12.926   1.5786   5.3462  -4.6310   8.2339   6.1042   7.0293   38.253   17.547   50.560   18.986 -12.30730 25.85279 
1 1 1  -37   10   24 o   88.340   12.214   23.546   5.6068   19.613   8.5456   26.518   7.4295   79.968   19.865   96.712   14.216 -16.74412 24.42786 
1 1 1  -37   10   25 o   85.738   13.000   21.704   5.7557   25.440   9.1572   19.264   7.4003   91.477   19.140   79.998   17.597 11.47967 26.00005 
1 1 1  -37   10   26 o   90.614   12.126   24.649   5.7218   21.544   8.6193   27.095   7.6508   83.770   19.420   97.459   14.528 -13.68906 24.25250 
1 1 1  -37   10   27 o  138.323   8.4727   54.034   6.2711   51.164   9.3866   56.349   8.4281  134.564   12.909  142.082   10.978 -7.517776 16.94538 
1 1 1  -37   10   28 o  145.997   8.1354   59.246   6.3447   63.234   9.8606   56.428   8.2883  149.830   12.179  142.164   10.789 7.666367 16.27073 
1 1 1  -37   10   29 o   44.304   13.122  -0.3705   5.6625   7.3963   8.4430  -6.7201   7.6340   54.335   20.714   34.274   16.113 20.06054 26.24369 
1 1 1  -37   10   30 o   46.797   13.564   3.0206   5.6845  -1.5408   8.6390   6.5036   7.5490   42.087   18.758   51.506   19.599 -9.419018 27.12892 
1 1 1  -37   10   31 o  174.095   7.4944   84.286   7.0231   88.622   10.494   80.768   9.4519  177.964   10.912  170.227   10.276 7.736282 14.98880 
1 1 1  -37   10   32 o  128.656   9.5020   47.212   6.5832   48.473   9.7689   46.164   8.9105  129.975   13.909  127.337   12.950 2.637459 19.00409 
1 1 1  -37   10   33 o   60.333   15.098   10.783   6.1176   12.197   9.2432   9.6799   8.1608   63.020   22.031   57.646   20.649 5.374207 30.19517 
1 1 1  -37   10   34 o   38.433   12.538  -5.0944   6.1684  -9.3749   9.2105  -1.6131   8.3063   36.040   17.165   40.825   18.280 -4.785305 25.07578 
1 1 1  -37   10   35 o   82.167   14.774   22.016   6.5749   20.812   9.6762   23.050   8.9614   79.427   21.857   84.906   19.882 -5.479126 29.54725 
1 1 1  -37   10   36 o   54.156   14.452   6.0977   7.3749 -19.8491   14.367   15.381   8.5935   40.267   19.708   68.044   21.143 -27.77673 28.90330 
1 1 1  -37   10   37 o   44.357   14.671  -4.5283   7.6448  -3.6486   15.019  -4.8359   8.8814   50.374   23.318   38.340   17.812 12.03329 29.34267 
1 1 1  -37   10   38 o   45.159   14.578  -2.3763   7.6997  -0.8945   9.5807  -5.0788   12.939   43.865   19.637   46.452   21.552 -2.586742 29.15684 
1 1 1  -37   10   39 o  103.987   13.688   34.323   7.4064   33.469   10.542   35.154   10.408  102.351   19.776  105.623   18.931 -3.271301 27.37644 
1 1 1  -37   10   40 o   39.526   13.458 -11.2550   8.2277  -9.9152   10.360 -13.5428   13.538   37.535   17.966   41.516   20.042 -3.981430 26.91616 
1 1 1  -37   10   41 o   54.061   16.741   7.3596   9.3119   8.2297   13.614   6.5946   12.765   55.159   24.104   52.962   23.237 2.197254 33.48111 
1 1 1  -37   10   42 o   51.910   15.928   1.9563   9.0292 -10.3513   12.717   14.466   12.822   40.808   19.630   63.011   25.089 -22.20284 31.85618 
1 1 1  -37   10   43 o   38.061   12.642  -8.2226   7.0242 -18.9929   10.332   1.0339   9.5783   31.866   15.805   44.256   19.736 -12.39038 25.28440 
1 1 1  -37   10   44 o   65.696   18.251   18.750   9.8829   12.430   15.287   23.288   12.954   58.712   25.602   72.680   26.017 -13.96841 36.50202 
1 1 1  -37   11    1 o   87.659   12.483   22.653   5.7074   21.708   8.1075   23.581   8.0359   85.640   18.087   89.677   17.209 -4.036598 24.96559 
1 1 1  -37   11    2 o  107.207   11.113   32.084   6.3552   34.955   9.9615   30.113   8.2530  110.924   16.619  103.491   14.758 7.432259 22.22588 
1 1 1  -37   11    3 o   57.163   14.366   8.2013   6.0528   0.4532   9.8015   12.977   7.6954   48.057   20.729   66.270   19.896 -18.21240 28.73232 
1 1 1  -37   11    4 o   85.364   13.330   19.727   6.1402   31.982   10.018   12.354   7.7709  105.821   17.520   64.907   20.095 40.91397 26.65996 
1 1 1  -37   11    5 o   64.863   14.942   11.630   5.9667   15.457   9.4003   9.0473   7.7215   71.888   22.076   57.837   20.141 14.05149 29.88330 
1 1 1  -37   11    6 o   43.429   12.915   1.3981   4.9656   2.2907   8.2811   0.8969   6.2048   47.080   19.618   39.777   16.803 7.303265 25.82996 
1 1 1  -37   11    7 o   53.570   13.455   5.9160   4.9810   12.429   8.1652   2.0560   6.2862   65.227   20.660   41.913   17.244 23.31353 26.91028 
1 1 1  -37   11    8 o   91.883   11.278   23.920   5.3068   25.574   8.7031   22.941   6.6956   93.192   17.933   90.574   13.680 2.618217 22.55572 
1 1 1  -37   11    9 o  101.200   10.266   27.793   5.4608   33.004   9.0810   24.841   6.8346  108.094   15.547   94.305   13.412 13.78958 20.53241 
1 1 1  -37   11   10 o  125.344   8.8615   44.572   5.7369   40.474   9.3644   47.034   7.2585  120.049   14.436  130.640   10.282 -10.59123 17.72303 
1 1 1  -37   11   11 o   92.456   11.711   24.917   5.5184   23.660   8.9106   25.698   7.0284   89.057   19.090   95.854   13.569 -6.796730 23.42111 
1 1 1  -37   11   12 o   53.082   12.990   6.3882   5.3107  -3.1379   8.3561   12.843   6.8785   40.387   18.189   65.777   18.550 -25.39002 25.97951 
1 1 1  -37   11   13 o   33.957   11.335  -7.4472   5.3397  -9.7734   8.5922  -5.9834   6.8157   34.958   16.630   32.955   15.407 2.002445 22.67015 
1 1 1  -37   11   14 o  175.259   6.9778   81.141   6.4619  102.948   10.568   68.121   8.1662  193.200   10.123  157.318   9.6063 35.88179 13.95559 
1 1 1  -37   11   15 o   47.685   13.671   3.5578   5.3120   4.0723   8.8565   3.2687   6.6386   50.646   20.609   44.724   17.969 5.922249 27.34253 
1 1 1  -37   11   16 o   94.529   12.026   25.670   5.6969   27.204   9.7857   24.884   7.0066   94.998   19.709   94.061   13.785 0.9366379 24.05148 
1 1 1  -37   11   17 o  151.154   12.867   60.400   9.9685   86.712   17.929   48.626   11.993  172.255   19.262  130.053   17.066 42.20193 25.73444 
1 1 1  -37   11   18 o  123.817   25.630   48.626   16.583   48.626   16.583   0.0000   0.0000  123.817   25.630  ?   ?       ?      ? 
1 1 1  -37   11   19 o   51.001   14.943   3.4937   6.6289   3.0076   8.5683   4.2185   10.462   48.374   20.039   53.628   22.173 -5.254860 29.88651 
1 1 1  -37   11   20 o   82.677   14.858   20.722   6.3203   21.622   11.304   20.313   7.6232   82.867   23.916   82.486   17.637 0.3811035 29.71586 
1 1 1  -37   11   21 o  135.680   10.475   57.458   6.7890   38.243   11.402   68.012   8.4501  114.514   18.426  156.846   9.9701 -42.33214 20.95066 
1 1 1  -37   11   22 o   64.515   14.476   12.375   5.6081   13.070   8.7124   11.884   7.3280   65.992   21.387   63.037   19.514 2.955219 28.95161 
1 1 1  -37   11   23 o   56.917   14.206   8.1074   5.5786   13.281   8.5190   4.2232   7.3814   66.237   21.115   47.596   19.010 18.64106 28.41170 
1 1 1  -37   11   24 o   65.634   12.560   9.5241   5.6419   25.853   8.8020  -1.8630   7.3504   92.579   18.244   38.689   17.269 53.88969 25.12046 
1 1 1  -37   11   25 o   31.461   10.754 -12.0354   5.3564  -6.0439   8.3839 -16.1679   6.9628   37.085   17.254   25.837   12.842 11.24776 21.50848 
1 1 1  -37   11   26 o   83.652   13.232   20.685   5.8304   28.233   9.0866   15.403   7.6014   96.684   18.056   70.621   19.348 26.06368 26.46438 
1 1 1  -37   11   27 o  101.214   11.536   30.334   6.0042   29.299   9.4446   31.035   7.7783   98.128   18.490  104.299   13.801 -6.171158 23.07269 
1 1 1  -37   11   28 o   73.915   14.140   17.657   5.9749   12.008   9.2488   21.704   7.8276   63.359   22.044   84.470   17.715 -21.11115 28.28004 
1 1 1  -37   11   29 o   65.702   14.230   13.539   5.7918   8.2764   8.9211   17.374   7.6149   56.437   21.346   74.966   18.825 -18.52980 28.46092 
1 1 1  -37   11   30 o  107.172   11.568   35.163   6.1948   23.814   8.9757   45.487   8.5605   87.573   19.471  126.771   12.497 -39.19762 23.13659 
1 1 1  -37   11   31 o   61.920   14.915   11.484   5.9612   13.695   8.9768   9.7391   7.9729   66.045   21.725   57.796   20.441 8.248741 29.82983 
1 1 1  -37   11   32 f   35.754   11.918  -8.2258   6.1347 -14.4207   9.2862  -3.4285   8.1718   32.938   16.061   38.570   17.613 -5.632153 23.83578 
1 1 1  -37   11   33 o   49.400   14.491   3.5963   6.3512   7.0417   9.6506   0.9639   8.4355   54.637   21.763   44.162   19.140 10.47424 28.98196 
1 1 1  -37   11   34 o   83.989   14.330   22.993   6.4346   20.562   9.6066   24.972   8.6656   78.798   21.817   89.180   18.585 -10.38148 28.65967 
1 1 1  -37   11   35 o   85.660   14.090   24.618   6.7601   15.476   9.9291   32.518   9.2296   67.650   22.862  103.671   16.476 -36.02036 28.18047 
1 1 1  -37   11   36 o   46.151   13.600  -0.1307   6.6204 -13.6602   10.141   9.9173   8.7396   34.963   16.988   57.339   21.241 -22.37564 27.19916 
1 1 1  -37   11   37 o   48.515   15.750  -1.4614   7.7622   0.0429   16.911  -1.8629   8.7368   55.943   25.465   41.087   18.542 14.85545 31.50031 
1 1 1  -37   11   38 o  140.459   10.557   55.707   7.8413   73.116   12.678   44.922   9.9787  157.505   14.896  123.412   14.963 34.09327 21.11410 
1 1 1  -37   11   39 o   40.038   18.993  -8.2819   11.054  -8.2819   11.054   0.0000   0.0000   40.038   18.993  ?   ?       ?      ? 
1 1 1  -37   11   40 o   37.565   13.096 -18.8164   9.5779 -13.4550   12.889 -25.4279   14.313   38.909   18.961   36.222   18.069 2.686798 26.19152 
1 1 1  -37   11   41 o   53.936   16.615   5.5171   9.4262   12.227   13.006  -1.9081   13.681   60.223   24.793   47.649   22.126 12.57352 33.23068 
1 1 1  -37   11   42 o   59.864   15.812   12.188   7.1776   7.0049   10.617   16.551   9.7412   52.532   22.073   67.197   22.645 -14.66534 31.62362 
1 1 1  -37   11   43 o   53.109   16.050   7.6892   8.7918  -4.9279   15.803   13.345   10.580   46.799   22.343   59.419   23.049 -12.61974 32.10075 
1 1 1  -37   12    1 o  160.081   8.5619   71.114   7.3160   72.500   11.299   70.113   9.6001  161.076   12.981  159.087   11.167 1.988373 17.12381 
1 1 1  -37   12    2 o  137.539   9.5191   53.529   6.9255   49.865   10.727   56.149   9.0689  132.901   14.937  142.178   11.804 -9.277588 19.03814 
1 1 1  -37   12    3 o  123.484   10.270   46.295   5.9582   35.360   10.844   51.024   7.1312  110.820   18.108  136.148   9.6931 -25.32777 20.53905 
1 1 1  -37   12    4 o   58.322   13.354   9.8376   5.2111   2.6505   8.7127   13.841   6.5023   48.405   20.142   68.239   17.538 -19.83425 26.70754 
1 1 1  -37   12    5 o   79.099   12.789   17.736   5.1825   22.490   8.7503   15.166   6.4319   86.622   19.199   71.575   16.900 15.04703 25.57754 
1 1 1  -37   12    6 o   47.245   13.320   3.9575   5.0946   2.5969   7.9913   4.8891   6.6127   46.754   19.359   47.736   18.300 -0.9820747 26.63955 
1 1 1  -37   12    7 o   72.400   13.160   16.359   5.3444   10.374   8.3214   20.560   6.9725   60.904   20.926   83.897   15.963 -22.99357 26.31931 
1 1 1  -37   12    8 o   45.807   12.847   2.4974   5.2421  -5.3700   8.3151   7.6867   6.7531   37.933   17.486   53.680   18.828 -15.74704 25.69495 
1 1 1  -37   12    9 o  247.393   7.8863  167.480   10.543   0.0000   0.0000  167.480   10.543  ?   ?   247.393   7.8863      ?      ? 
1 1 1  -37   12   10 o  115.652   9.3387   36.350   5.6538   41.931   9.4733   33.262   7.0463  121.966   14.374  109.338   11.926 12.62820 18.67734 
1 1 1  -37   12   11 o  111.043   10.514   35.872   5.9636   31.372   9.8197   38.501   7.5063  104.446   17.399  117.641   11.808 -13.19598 21.02742 
1 1 1  -37   12   12 o   53.288   14.121   4.9808   5.6972   12.298   9.0450   0.1691   7.3350   65.014   21.822   41.561   17.930 23.45338 28.24299 
1 1 1  -37   12   13 o  160.264   7.6515   71.492   6.5082   69.383   10.116   72.982   8.5014  157.834   11.860  162.694   9.6701 -4.859467 15.30293 
1 1 1  -37   12   14 o  133.784   8.3487   49.333   5.9102   52.391   9.4747   47.386   7.5617  136.784   12.819  130.785   10.700 5.999298 16.69743 
1 1 1  -37   12   15 o  128.409   9.0331   45.734   6.1071   48.111   9.9073   44.277   7.7558  130.607   14.038  126.211   11.372 4.396095 18.06620 
1 1 1  -37   12   16 o   51.181   16.330  -2.7642   9.2018  -8.8176   16.440  -0.0026   11.104   52.517   24.341   49.845   21.776 2.672558 32.65977 
1 1 1  -37   12   17 o  102.846   18.094   30.794   10.024   50.248   16.814   20.068   12.485  125.798   25.605   79.894   25.573 45.90345 36.18799 
1 1 1  -37   12   18 o   48.089   20.534   1.4991   9.4393   1.4991   9.4393   0.0000   0.0000   48.089   20.534  ?   ?       ?      ? 
1 1 1  -37   12   19 o   82.861   13.790   20.118   5.9940   25.921   9.6140   16.428   7.6665   92.240   19.875   73.481   19.123 18.75943 27.58088 
1 1 1  -37   12   20 o   71.938   14.838   16.386   6.1329   12.561   10.402   18.424   7.5931   65.873   23.342   78.002   18.326 -12.12855 29.67643 
1 1 1  -37   12   21 o   96.955   11.913   27.762   5.9419   26.754   9.3687   28.441   7.6853   93.864   19.120  100.045   14.216 -6.181206 23.82603 
1 1 1  -37   12   22 o   96.177   11.740   26.176   5.8448   36.050   9.1887   19.465   7.5748  112.163   15.160   80.190   17.931 31.97320 23.48077 
1 1 1  -37   12   23 o   94.478   15.377   25.666   7.8506   0.0000   0.0000   25.666   7.8506  ?   ?    94.478   15.377      ?      ? 
1 1 1  -37   12   24 f   54.213   14.205   6.9051   5.5499   11.318   8.6973   3.8742   7.2083   61.988   21.388   46.438   18.701 15.54976 28.41047 
1 1 1  -37   12   25 o   65.344   14.651   13.198   5.8138   11.825   8.9089   14.216   7.6728   62.931   21.650   67.756   19.747 -4.824615 29.30290 
1 1 1  -37   12   26 o  106.350   11.242   33.738   6.1498   29.540   9.3141   36.982   8.1885   98.674   18.137  114.026   13.290 -15.35279 22.48448 
1 1 1  -37   12   27 o   53.869   14.043   3.8488   5.8967   15.734   9.6137  -3.3192   7.4660   70.599   22.423   37.139   16.911 33.45967 28.08522 
1 1 1  -37   12   28 o  120.975   10.152   42.388   6.4907   39.683   10.075   44.308   8.4864  116.812   15.962  125.139   12.550 -8.326988 20.30461 
1 1 1  -37   12   29 o   47.307   13.857   3.4126   5.7573   3.3102   8.7435   3.4910   7.6499   48.223   20.131   46.391   19.047 1.832081 27.71377 
1 1 1  -37   12   30 o   63.061   14.901   11.809   6.0294   16.281   9.1415   8.3655   8.0216   71.052   21.762   55.071   20.360 15.98088 29.80122 
1 1 1  -37   12   31 f   40.127   12.736  -2.5556   5.9257  -8.2246   9.1719   1.5062   7.7636   36.809   17.414   43.445   18.589 -6.636551 25.47134 
1 1 1  -37   12   32 o   63.098   13.423   7.3490   6.2980   25.792   9.8415  -5.4422   8.1960   89.577   20.741   36.619   17.045 52.95823 26.84583 
1 1 1  -37   12   33 o   57.412   14.924   8.6896   6.2164   14.919   9.6143   4.2143   8.1490   67.216   22.498   47.609   19.616 19.60657 29.84867 
1 1 1  -37   12   34 o   37.268   12.427  -8.4477   6.4133  -1.5408   9.9653 -13.3306   8.3790   43.684   19.751   30.852   15.089 12.83199 24.85493 
1 1 1  -37   12   35 o   42.153   13.512  -1.9621   6.5780  -3.3575   10.331  -1.0107   8.5305   42.878   19.663   41.428   18.539 1.449463 27.02490 
1 1 1  -37   12   36 o   42.880   13.794  -2.4637   6.8344  -1.7150   10.927  -2.9448   8.7589   45.703   20.671   40.058   18.270 5.644547 27.58758 
1 1 1  -37   12   37 o   66.612   16.386   14.734   7.2380   13.074   11.277   15.896   9.4386   64.204   24.060   69.020   22.250 -4.816406 32.77112 
1 1 1  -37   12   38 o   56.867   18.024   3.3170   10.644   13.155   18.881  -1.2660   12.886   65.540   28.519   48.193   22.049 17.34666 36.04882 
1 1 1  -37   12   39 o   61.206   17.545   8.7399   9.8646   28.964   15.490  -5.0586   12.795   78.931   28.429   43.481   20.569 35.45005 35.09028 
1 1 1  -37   12   40 o   50.993   23.174   1.9169   13.935   1.9169   13.935   0.0000   0.0000   50.993   23.174  ?   ?       ?      ? 
1 1 1  -37   12   41 o   57.503   15.374   7.3289   7.5307   21.489   11.231  -4.2367   10.150   74.621   24.289   40.385   18.855 34.23568 30.74854 
1 1 1  -37   12   42 o   65.893   14.539   16.158   7.0385   2.4258   10.768   26.403   9.3004   46.155   20.729   85.632   20.392 -39.47707 29.07785 
1 1 1  -37   13    1 o  132.559   10.617   48.665   7.6052   0.0000   0.0000   48.665   7.6052  ?   ?   132.559   10.617      ?      ? 
1 1 1  -37   13    2 o   52.295   14.035   6.4182   5.4031   5.0530   8.8015   7.2438   6.8447   51.900   20.747   52.691   18.907 -0.7913246 28.06977 
1 1 1  -37   13    3 o  125.656   8.5458   41.974   5.6340   53.078   9.4588   35.868   7.0140  137.722   12.710  113.590   11.427 24.13226 17.09158 
1 1 1  -37   13    4 o  117.995   9.0093   38.329   5.6201   42.024   9.0867   36.040   7.1522  122.184   13.763  113.807   11.630 8.376846 18.01867 
1 1 1  -37   13    5 o  105.844   10.057   30.282   5.6271   39.109   9.1632   24.937   7.1299  117.641   14.414   94.047   14.030 23.59415 20.11497 
1 1 1  -37   13    6 o  146.499   7.7992   59.064   6.0484   61.944   9.6610   57.208   7.7565  149.061   11.994  143.937   9.9726 5.124268 15.59849 
1 1 1  -37   13    7 o   50.759   13.896   5.5678   5.2596   5.3443   8.9057   5.6875   6.5178   52.537   20.913   48.981   18.304 3.555450 27.79174 
1 1 1  -37   13    8 o  165.346   7.2857   75.779   6.3467   74.804   10.127   76.410   8.1447  164.031   11.425  166.661   9.0438 -2.630569 14.57134 
1 1 1  -37   13    9 o   95.498   11.803   27.229   5.6605   23.964   9.2180   29.205   7.1720   88.931   19.701  102.065   13.004 -13.13377 23.60578 
1 1 1  -37   13   10 o   73.077   14.063   15.767   5.5501   18.348   9.1692   14.276   6.9725   77.252   21.285   68.903   18.386 8.348534 28.12575 
1 1 1  -37   13   11 o   73.545   14.022   14.612   5.7059   24.644   9.6558   9.2284   7.0729   89.909   20.349   57.181   19.296 32.72844 28.04321 
1 1 1  -37   13   12 o  116.517   9.8160   37.363   6.0005   42.057   9.9543   34.684   7.5206  121.669   15.141  111.364   12.497 10.30493 19.63208 
1 1 1  -37   13   13 o   36.240   11.828  -5.1768   5.4389  -9.6156   8.6909  -2.3192   6.9732   35.198   16.738   37.283   16.717 -2.085152 23.65684 
1 1 1  -37   13   14 o   66.819   14.288   13.027   5.5415   16.276   8.7207   10.828   7.1766   72.894   20.997   60.744   19.382 12.14997 28.57532 
1 1 1  -37   13   15 o   56.126   16.964   1.3736   6.7924   12.408   17.272  -0.6449   7.3876   71.763   28.931   40.489   17.723 31.27340 33.92789 
1 1 1  -37   13   16 o   51.688   16.671 -10.1668   9.9070   6.5811   17.031 -18.7320   12.180   65.383   27.741   37.993   18.496 27.39004 33.34168 
1 1 1  -37   13   17 f   78.114   29.521   18.381   17.053   18.381   17.053   0.0000   0.0000   78.114   29.521  ?   ?       ?      ? 
1 1 1  -37   13   18 o   38.197   12.442  -4.9270   5.8710  -4.5020   8.9776  -5.2446   7.7605   40.173   18.389   36.220   16.765 3.953285 24.88359 
1 1 1  -37   13   19 o   38.492   12.216  -6.0569   6.0419 -22.7252   10.233   2.8637   7.4860   31.452   15.621   45.533   18.785 -14.08143 24.43165 
1 1 1  -37   13   20 o  113.178   11.173   38.659   6.3214   30.968   9.8695   44.009   8.2314  101.188   18.740  125.168   12.170 -23.98042 22.34522 
1 1 1  -37   13   21 o  142.105   8.6497   56.635   6.5235   57.753   10.266   55.878   8.4484  142.761   13.308  141.449   11.053 1.311722 17.29945 
1 1 1  -37   13   22 o   89.088   12.855   22.694   6.0273   31.814   9.6636   16.888   7.7109  104.238   17.156   73.937   19.148 30.30090 25.70950 
1 1 1  -37   13   23 o   83.477   13.581   21.337   5.9036   22.617   9.3742   20.496   7.6002   84.836   20.644   82.119   17.653 2.716789 27.16263 
1 1 1  -37   13   24 o   98.545   11.559   28.019   6.1025   30.742   9.3994   26.035   8.0236  102.342   16.996   94.748   15.671 7.594444 23.11859 
1 1 1  -37   13   25 o   41.297   12.946  -1.5200   5.6928   1.1471   8.7501  -3.4775   7.4963   45.544   19.616   37.051   16.900 8.492844 25.89148 
1 1 1  -37   13   26 o   55.963   14.504   8.5615   5.7500   6.6602   9.0540   9.8467   7.4438   53.927   21.206   58.000   19.795 -4.073036 29.00875 
1 1 1  -37   13   27 o   38.116   12.403  -4.7487   5.9470  -9.3474   9.3390  -1.6119   7.7130   36.606   17.391   39.626   17.688 -3.020748 24.80587 
1 1 1  -37   13   28 o   37.883   12.438  -6.0117   6.0279  -2.2417   9.3172  -8.7256   7.9052   42.583   19.189   33.182   15.831 9.401546 24.87667 
1 1 1  -37   13   29 o   79.438   14.366   20.640   6.2459   16.720   9.5958   23.522   8.2274   71.648   22.355   87.229   18.050 -15.58142 28.73182 
1 1 1  -37   13   30 o   36.139   12.103  -9.4067   6.2132  -3.3551   9.5679 -13.8194   8.1702   41.913   19.108   30.366   14.862 11.54752 24.20681 
1 1 1  -37   13   31 f   49.428   14.464   4.4492   6.2317   4.1932   9.7622   4.6253   8.0959   50.473   21.185   48.383   19.698 2.089630 28.92786 
1 1 1  -37   13   32 o   69.933   13.981   16.239   6.5191   3.7371   9.8620   25.942   8.6880   49.446   21.048   90.420   18.407 -40.97377 27.96173 
1 1 1  -37   13   33 o   71.200   14.894   17.437   6.3745   12.143   9.8908   21.199   8.3369   61.657   22.640   80.743   19.359 -19.08586 29.78790 
1 1 1  -37   13   34 o   34.427   11.820 -13.8809   6.7177  -7.5650   10.299 -18.5584   8.8628   39.459   18.602   29.394   14.589 10.06499 23.64019 
1 1 1  -37   13   35 o  110.796   12.102   36.481   7.1434   41.043   11.287   33.432   9.2262  115.822   18.034  105.769   16.143 10.05304 24.20385 
1 1 1  -37   13   36 o   45.221   14.139  -4.9866   7.0405   9.0852   11.427 -13.5961   8.9385   58.267   23.517   32.175   15.704 26.09276 28.27838 
1 1 1  -37   13   37 f   65.341   17.695   13.940   9.4449   25.450   13.715   3.5563   13.026   79.000   26.869   51.682   23.034 27.31716 35.39076 
1 1 1  -37   13   38 o   58.831   17.538   11.653   9.5594   16.223   14.087   7.7523   13.015   63.566   25.943   54.096   23.606 9.469955 35.07528 
1 1 1  -37   13   39 o   53.155   22.984   6.1329   12.110   0.0000   0.0000   6.1329   12.110  ?   ?    53.155   22.984      ?      ? 
1 1 1  -37   13   40 o   39.949   13.233  -7.1108   7.1856   2.6597   11.015 -14.3479   9.4804   47.727   21.233   32.170   15.799 15.55708 26.46606 
1 1 1  -37   13   41 o   56.281   16.705   10.860   8.4624   9.5244   10.987   12.809   13.269   54.028   22.561   58.533   24.641 -4.505234 33.40925 
1 1 1  -37   14    1 o   47.264   13.597   3.6168   5.3079   2.5590   8.9213   4.1965   6.6039   48.376   20.276   46.153   18.123 2.222740 27.19462 
1 1 1  -37   14    2 o   42.775   12.127  -0.5096   5.2978 -15.2919   8.7714   7.9800   6.6472   31.606   15.454   53.944   18.693 -22.33873 24.25380 
1 1 1  -37   14    3 o  141.833   8.3700   56.454   6.1854   54.713   10.090   57.502   7.8290  139.450   13.390  144.217   10.046 -4.766190 16.74001 
1 1 1  -37   14    4 o   49.713   12.969   4.5480   5.3748  -5.4531   8.5847   10.996   6.8931   38.418   17.729   61.008   18.932 -22.59042 25.93751 
1 1 1  -37   14    5 o  102.057   10.578   29.572   5.6994   29.670   9.0649   29.507   7.3293  101.655   16.502  102.459   13.238 -0.8032913 21.15605 
1 1 1  -37   14    6 o   40.133   12.672  -2.2154   5.3549  -0.0752   8.9984  -3.3889   6.6633   45.186   19.675   35.081   15.975 10.10460 25.34380 
1 1 1  -37   14    7 o   80.757   13.011   18.645   5.4420   24.862   8.9643   15.016   6.8483   90.860   18.875   70.655   17.913 20.20482 26.02156 
1 1 1  -37   14    8 o   41.594   12.586  -4.7151   5.3892   7.1171   8.7961 -11.8259   6.8189   55.094   21.110   28.094   13.713 27.00072 25.17269 
1 1 1  -37   14    9 o   50.637   13.726   3.1587   5.4125   11.841   9.0628  -1.6553   6.7482   63.866   21.841   37.408   16.632 26.45809 27.45273 
1 1 1  -37   14   10 o   56.270   13.732   5.1501   5.5520   17.186   9.2493  -1.6292   6.9416   74.559   21.667   37.980   16.878 36.57851 27.46488 
1 1 1  -37   14   11 o   50.241   12.605   3.9897   5.5866 -12.2241   9.3837   12.892   6.9532   35.102   16.880   65.380   18.724 -30.27790 25.20958 
1 1 1  -37   14   12 o  114.630   10.493   38.701   6.1617   32.479   9.9302   42.596   7.8572  105.787   17.372  123.473   11.776 -17.68635 20.98699 
1 1 1  -37   14   13 o   65.784   14.455   13.268   5.6923   10.845   9.2165   14.762   7.2378   61.905   21.968   69.663   18.794 -7.757854 28.91038 
1 1 1  -37   14   14 o  131.367   9.6278   50.473   6.5394   41.433   10.246   56.687   8.4946  120.078   15.791  142.657   11.020 -22.57874 19.25557 
1 1 1  -37   14   15 o   44.780   15.207 -14.9002   10.100 -19.4324   17.538 -12.6509   12.355   47.845   23.024   41.715   19.871 6.129959 30.41364 
1 1 1  -37   14   16 o   53.614   24.914  -8.4797   17.395  -8.4797   17.395   0.0000   0.0000   53.614   24.914  ?   ?       ?      ? 
1 1 1  -37   14   17 o   93.697   14.734   27.665   7.5354   36.280   10.454   18.347   10.872  111.434   17.360   75.960   23.810 35.47321 29.46719 
1 1 1  -37   14   18 f   64.057   14.103   12.942   6.2308   0.2622   11.013   18.912   7.5564   49.317   21.612   78.798   18.124 -29.48038 28.20592 
1 1 1  -37   14   19 o   96.073   14.211   27.127   6.6411   31.081   12.537   25.585   7.8298   97.941   23.900   94.204   15.381 3.736755 28.42185 
1 1 1  -37   14   20 o   52.973   14.763   5.9198   6.0835   8.3441   9.8209   4.4104   7.7493   57.672   22.252   48.274   19.408 9.397858 29.52641 
1 1 1  -37   14   21 f   59.000   14.985   9.7488   5.9649   10.764   9.6004   9.1102   7.6126   61.378   22.340   56.622   19.979 4.755592 29.97061 
1 1 1  -37   14   22 o   99.180   12.390   30.113   6.2303   26.156   9.8877   32.718   8.0235   91.355   20.530  107.005   13.876 -15.65008 24.77946 
1 1 1  -37   14   23 o   54.365   14.796   7.0999   6.0491   8.4375   9.4543   6.1728   7.8710   57.325   21.904   51.406   19.897 5.919224 29.59185 
1 1 1  -37   14   24 o   86.934   13.269   23.524   6.0518   20.164   9.5578   25.773   7.8188   79.485   21.661   94.382   15.331 -14.89674 26.53763 
1 1 1  -37   14   25 o   43.561   13.335   0.1231   5.9857  -5.9715   9.5881   4.0152   7.6622   39.879   18.520   47.243   19.191 -7.364246 26.66960 
1 1 1  -37   14   26 f  103.362   11.795   32.211   6.2584   30.276   9.7828   33.551   8.1426   98.800   19.014  107.923   13.962 -9.122795 23.58989 
1 1 1  -37   14   27 f   48.594   14.227   2.9207   6.0255   7.9748   9.7614  -0.1905   7.6587   56.215   22.046   40.973   17.988 15.24207 28.45335 
1 1 1  -37   14   28 o   43.427   13.596  -1.6717   6.2811   3.5571   9.8461  -5.2597   8.1563   50.127   21.170   36.726   17.064 13.40144 27.19136 
1 1 1  -37   14   29 o   65.468   15.005   13.829   6.6144   5.8131   10.382   19.305   8.5813   53.598   22.119   77.339   20.283 -23.74065 30.01064 
1 1 1  -37   14   30 o   45.502   13.511   0.9877   6.2935  -9.4682   9.8774   8.1337   8.1657   37.119   17.706   53.885   20.412 -16.76528 27.02141 
1 1 1  -37   14   31 o   89.681   14.243   26.575   6.6951   24.817   10.183   27.914   8.8852   85.490   21.936   93.873   18.173 -8.383614 28.48552 
1 1 1  -37   14   32 f   56.616   14.600   8.6111   6.6609  -2.1347   10.577   15.675   8.5751   44.481   20.205   68.752   21.080 -24.27157 29.19954 
1 1 1  -37   14   33 o  109.277   13.560   40.727   7.3402   21.491   10.949   56.429   9.8924   78.887   23.743  139.667   13.107 -60.78023 27.12057 
1 1 1  -37   14   34 o   58.157   14.281   8.6983   6.8742  -7.1933   11.167   18.396   8.7230   41.626   19.544   74.688   20.829 -33.06216 28.56199 
1 1 1  -37   14   35 o   60.958   16.428   11.872   7.5786   9.3065   11.636   13.763   9.9875   57.979   23.611   63.937   22.849 -5.957706 32.85690 
1 1 1  -37   14   36 o   53.915   16.833   6.0264   9.6519   11.351   14.242   1.5029   13.126   58.843   25.177   48.988   22.351 9.854820 33.66684 
1 1 1  -37   14   37 o   53.300   16.807   5.2435   9.7958   8.5901   14.492   2.4279   13.292   56.517   24.779   50.084   22.712 6.432980 33.61301 
1 1 1  -37   14   38 o   68.052   17.166   17.806   8.1474   12.658   14.621   20.124   9.8120   61.792   25.931   74.313   22.501 -12.52124 34.33232 
1 1 1  -37   14   39 o   51.276   15.069   7.3452   6.9272   4.7515   10.970   9.0652   8.9335   49.335   21.596   53.216   21.020 -3.881130 30.13730 
1 1 1  -37   14   40 o   50.663   16.550  -0.3471   8.5425   18.939   18.300  -5.7205   9.6595   64.010   27.960   37.317   17.717 26.69268 33.10068 
1 1 1  -37   15    1 o   65.466   14.378   12.587   5.5106   15.379   8.9009   10.851   7.0171   70.525   21.448   60.407   19.154 10.11732 28.75587 
1 1 1  -37   15    2 o   79.903   13.281   19.229   5.4733   20.289   9.1163   18.632   6.8440   80.780   20.769   79.026   16.557 1.754120 26.56120 
1 1 1  -37   15    3 o   33.356   11.058  -7.7923   5.3005 -17.5620   8.6887  -2.0014   6.6894   30.026   14.819   36.686   16.417 -6.660130 22.11595 
1 1 1  -37   15    4 o   48.059   13.723   3.0639   5.4468   7.6599   8.8562   0.2677   6.9078   55.805   21.229   40.314   17.396 15.49036 27.44644 
1 1 1  -37   15    5 o  128.089   9.2976   47.489   6.1274   41.785   9.9623   50.959   7.7712  120.795   15.263  135.385   10.623 -14.59007 18.59526 
1 1 1  -37   15    6 o   45.767   13.472   2.4814   5.5615  -1.6666   9.2313   4.8449   6.9681   43.666   19.431   47.868   18.667 -4.202572 26.94497 
1 1 1  -37   15    7 o   83.975   13.206   22.438   5.7539   16.622   9.7170   25.578   7.1403   73.001   22.449   94.949   13.917 -21.94787 26.41297 
1 1 1  -37   15    8 o   47.617   13.783   3.5327   5.4300   4.0354   9.2017   3.2641   6.7260   50.688   20.859   44.546   18.020 6.142151 27.56516 
1 1 1  -37   15    9 o   62.269   13.935   8.3716   5.6199   21.084   9.5893   1.7212   6.9358   82.037   21.406   42.501   17.849 39.53612 27.87079 
1 1 1  -37   15   10 f   42.250   13.136  -0.9066   5.5300   1.5017   9.3776  -2.1907   6.8473   47.626   20.405   36.874   16.548 10.75128 26.27166 
1 1 1  -37   15   11 o   55.749   14.711   7.9132   5.7463   8.3715   9.7753   7.6711   7.1032   58.015   22.248   53.482   19.253 4.533211 29.42185 
1 1 1  -37   15   12 o   72.940   13.677   13.411   5.8329   28.681   9.9214   5.3450   7.2106   96.766   19.645   49.113   19.034 47.65302 27.35379 
1 1 1  -37   15   13 o   67.322   12.990   14.332   6.0070  -0.9495   9.7707   23.618   7.6165   45.514   20.135   89.129   16.419 -43.61518 25.98069 
1 1 1  -37   15   14 o   78.095   19.651   20.007   10.637   12.191   18.674   23.761   12.941   71.389   29.579   84.800   25.878 -13.41129 39.30133 
1 1 1  -37   15   15 o   80.052   30.322   20.682   18.017   20.682   18.017   0.0000   0.0000   80.052   30.322  ?   ?       ?      ? 
1 1 1  -37   15   16 o  114.123   16.797   38.065   10.359   38.065   10.359   0.0000   0.0000  114.123   16.797  ?   ?       ?      ? 
1 1 1  -37   15   17 o   61.785   15.538   6.9860   6.6402   21.284   11.893   0.5102   8.0039   80.481   24.850   43.090   18.659 37.39088 31.07579 
1 1 1  -37   15   18 o  122.486   11.442   43.256   7.0813   44.977   12.480   42.438   8.5999  122.698   18.823  122.274   13.016 0.4237671 22.88451 
1 1 1  -37   15   19 o   64.972   15.120   13.126   6.3280   8.6851   10.064   16.030   8.1383   58.382   22.526   71.562   20.176 -13.17951 30.24017 
1 1 1  -37   15   20 o   39.707   12.814  -4.5948   6.0042  -0.2047   9.4775  -7.5381   7.7601   45.486   19.988   33.927   16.040 11.55939 25.62865 
1 1 1  -37   15   21 o  104.288   11.708   30.852   6.3361   39.990   10.198   25.107   8.0862  117.193   16.104   91.384   17.001 25.80888 23.41696 
1 1 1  -37   15   22 o   52.337   14.154   1.6491   6.1600   15.435   10.160  -6.3647   7.7461   69.828   23.120   34.847   16.334 34.98058 28.30767 
1 1 1  -37   15   23 o   66.211   15.538   13.064   6.3093   17.162   10.481   10.735   7.9011   72.654   23.449   59.768   20.394 12.88639 31.07657 
1 1 1  -37   15   24 o   50.243   14.585   4.1404   6.2849   7.5529   9.8342   1.7844   8.1714   55.742   22.043   44.745   19.106 10.99643 29.17058 
1 1 1  -37   15   25 o   78.512   14.147   20.876   6.2164   13.192   10.086   25.583   7.8941   65.047   22.992   91.978   16.489 -26.93114 28.29302 
1 1 1  -37   15   26 o   78.164   15.163   19.285   6.3900   22.366   10.736   17.595   7.9519   81.894   23.203   74.435   19.527 7.459595 30.32602 
1 1 1  -37   15   27 o   77.396   15.236   20.150   6.6333   16.821   10.718   22.218   8.4450   71.043   23.755   83.748   19.086 -12.70548 30.47224 
1 1 1  -37   15   28 o   98.245   13.595   31.818   6.7435   25.793   10.997   35.449   8.5368   86.693   23.070  109.797   14.389 -23.10355 27.18948 
1 1 1  -37   15   29 f   63.171   15.449   13.280   6.5989   9.0154   10.660   15.929   8.4024   57.239   22.850   69.103   20.799 -11.86337 30.89860 
1 1 1  -37   15   30 o   57.871   14.864   5.4184   6.7664   20.870   10.959  -4.1014   8.6019   77.303   23.852   38.440   17.742 38.86290 29.72713 
1 1 1  -37   15   31 o   32.246   11.215 -15.6604   6.6126 -20.1395   10.983 -13.1137   8.2818   33.628   16.609   30.864   15.075 2.764685 22.43015 
1 1 1  -37   15   32 o   80.157   23.968   22.238   11.185   22.238   11.185   0.0000   0.0000   80.157   23.968  ?   ?       ?      ? 
1 1 1  -37   15   33 o   48.161   14.601   3.0775   6.8334   0.4728   10.500   4.9915   9.0006   46.664   20.746   49.658   20.552 -2.994190 29.20265 
1 1 1  -37   15   34 o   67.710   17.200   16.775   8.2557   10.837   11.263   23.671   12.137   57.948   23.362   77.472   25.251 -19.52328 34.40036 
1 1 1  -37   15   35 o   58.711   17.023   10.311   9.3359  -0.3331   13.207   20.941   13.199   47.316   21.890   70.106   26.077 -22.79055 34.04679 
1 1 1  -37   15   36 o   74.647   17.286   21.094   9.3900   6.2883   13.802   33.851   12.812   54.806   24.102   94.488   24.785 -39.68206 34.57154 
1 1 1  -37   15   37 o   54.788   15.127   4.9965   7.2132   19.823   11.316  -5.1523   9.3618   71.511   24.406   38.066   17.879 33.44474 30.25399 
1 1 1  -37   15   38 o   41.639   13.517  -0.8003   6.8172  -2.0455   10.972  -0.0175   8.7002   42.564   19.782   40.713   18.427 1.851105 27.03446 
1 1 1  -37   16    1 o   57.556   14.320   9.4325   5.4673   8.5738   8.8440   9.9637   6.9557   57.008   21.318   58.104   19.125 -1.095623 28.63950 
1 1 1  -37   16    2 o   74.480   13.998   17.567   5.6597   15.231   9.4194   18.887   7.0803   69.840   22.197   79.120   17.062 -9.279480 27.99697 
1 1 1  -37   16    3 o   61.955   13.082   7.4790   5.5692   23.006   9.1176  -1.7616   7.0338   86.084   19.985   37.826   16.887 48.25771 26.16450 
1 1 1  -37   16    4 o  136.512   9.0144   53.719   6.3818   48.291   10.267   57.137   8.1467  129.825   14.635  143.199   10.528 -13.37306 18.02873 
1 1 1  -37   16    5 o   37.402   12.069  -3.4252   5.3389  -6.1492   8.7083  -1.7847   6.7580   37.779   17.580   37.026   16.540 0.7539101 24.13748 
1 1 1  -37   16    6 o   61.340   14.556   11.187   5.6168   10.526   9.1355   11.589   7.1219   60.792   21.839   61.889   19.250 -1.097698 29.11246 
1 1 1  -37   16    7 o   97.498   12.521   30.856   6.0408   19.219   9.5300   38.672   7.8104   77.865   21.791  117.132   12.340 -39.26673 25.04214 
1 1 1  -37   16    8 o   53.455   14.098   7.2696   5.6314   2.8560   9.1209   9.9886   7.1588   48.642   20.450   58.269   19.413 -9.626869 28.19684 
1 1 1  -37   16    9 o   40.540   12.851  -1.8309   5.6505  -2.7216   9.3423  -1.3172   7.0954   42.564   19.195   38.516   17.092 4.048466 25.70202 
1 1 1  -37   16   10 o   45.057   13.208   1.6875   5.6934  -6.6589   9.3703   6.5721   7.1684   38.956   18.164   51.158   19.181 -12.20155 26.41614 
1 1 1  -37   16   11 o   38.065   12.460  -6.7117   5.7759  -0.2176   9.7193 -10.2573   7.1816   46.014   20.230   30.116   14.552 15.89817 24.92070 
1 1 1  -37   16   12 o   60.012   15.216   10.173   6.0808   10.714   10.259   9.8804   7.5499   61.854   22.994   58.170   19.935 3.683834 30.43230 
1 1 1  -37   16   13 o   58.969   18.355   2.7334   10.975   0.3110   18.796   3.9865   13.519   60.886   27.363   57.052   24.473 3.833912 36.71100 
1 1 1  -37   16   14 o   62.580   18.494  -7.7730   10.950   27.455   19.812 -23.2658   13.139   87.704   32.067   37.457   18.436 50.24652 36.98825 
1 1 1  -37   16   15 o   96.779   21.249   29.531   10.808   29.531   10.808   0.0000   0.0000   96.779   21.249  ?   ?       ?      ? 
1 1 1  -37   16   16 o  140.824   9.5411   56.878   6.9800   54.851   11.424   58.086   8.8173  137.746   15.348  143.902   11.339 -6.155640 19.08222 
1 1 1  -37   16   17 o  105.263   13.154   31.633   6.9884   39.730   12.203   27.681   8.5249  113.043   20.741   97.483   16.183 15.55956 26.30789 
1 1 1  -37   16   18 o   94.667   13.669   28.416   6.6254   23.287   10.758   31.550   8.4093   84.730   22.936  104.604   14.877 -19.87398 27.33826 
1 1 1  -37   16   19 o   57.172   15.091   8.8038   6.1569   9.2287   9.8584   8.5321   7.8834   58.791   22.391   55.552   20.240 3.238552 30.18284 
1 1 1  -37   16   20 o   67.134   14.979   11.990   6.2875   23.115   10.435   5.6492   7.8783   84.099   22.515   50.169   19.764 33.93055 29.95889 
1 1 1  -37   16   21 o   55.004   15.207   7.3899   6.4885   8.7947   9.9890   6.3645   8.5341   57.812   22.404   52.195   20.568 5.616573 30.41329 
1 1 1  -37   16   22 o   75.843   15.256   17.747   6.4672   24.080   10.496   13.873   8.2108   85.555   22.430   66.131   20.686 19.42394 30.51238 
1 1 1  -37   16   23 o  113.214   11.280   36.241   6.7423   45.302   11.077   30.907   8.4979  123.633   16.580  102.795   15.299 20.83746 22.55993 
1 1 1  -37   16   24 o   46.029   14.017  -1.1996   6.4220   8.0582   10.386  -6.9304   8.1714   56.836   22.596   35.222   16.593 21.61454 28.03468 
1 1 1  -37   16   25 o   88.967   14.151   24.465   6.4843   30.727   10.687   20.816   8.1576   97.148   20.972   80.786   19.005 16.36137 28.30170 
1 1 1  -37   16   26 o   64.361   15.450   13.883   6.6924   8.4108   10.863   17.231   8.4964   56.745   22.920   71.976   20.723 -15.23113 30.89924 
1 1 1  -37   16   27 o   52.817   15.153   6.3683   6.6328   9.0831   10.516   4.5748   8.5475   57.238   22.743   48.397   20.029 8.840233 30.30535 
1 1 1  -37   16   28 o   50.210   14.592   1.4622   6.6042   13.050   10.842  -5.3733   8.3272   63.785   23.653   36.634   17.095 27.15100 29.18393 
1 1 1  -37   16   29 o   49.111   14.636   0.7405   6.9104   10.847   10.842  -6.1748   8.9682   60.631   23.384   37.592   17.606 23.03880 29.27101 
1 1 1  -37   16   30 o  102.429   13.614   33.031   7.1816   32.693   11.442   33.250   9.2251   99.413   21.891  105.444   16.191 -6.031166 27.22804 
1 1 1  -37   16   31 o   35.702   12.167 -10.5477   6.7510 -13.2086   11.181  -9.0210   8.4691   37.456   18.114   33.947   16.248 3.509201 24.33300 
1 1 1  -37   16   32 o   52.515   16.018   5.7874   8.2910   6.9516   11.292   4.4257   12.213   53.407   22.620   51.623   22.687 1.783825 32.03701 
1 1 1  -37   16   33 o   41.948   14.233  -8.3794   9.1893  -5.7950   13.950 -10.3604   12.214   44.569   21.198   39.327   18.998 5.241108 28.46527 
1 1 1  -37   16   34 o  101.498   17.010   36.393   9.4156   57.207   15.069   23.063   12.059  126.576   22.874   76.419   25.183 50.15741 34.02044 
1 1 1  -37   16   35 o   53.789   15.591   7.1716   7.9992  -5.6554   13.874   13.559   9.7903   45.609   21.528   61.969   22.559 -16.36025 31.18290 
1 1 1  -37   16   36 o   50.800   14.894   7.2313   6.7984   3.8215   10.853   9.4332   8.7214   48.060   21.243   53.540   20.882 -5.480221 29.78810 
1 1 1  -37   16   37 o   49.371   14.884   6.1326   7.2262   0.8810   11.299   9.7668   9.3997   45.165   20.658   53.576   21.433 -8.410988 29.76723 
1 1 1  -37   17    1 o   96.053   12.031   25.547   5.9282   37.808   9.8814   18.652   7.4099  114.013   16.039   78.093   17.937 35.91975 24.06217 
1 1 1  -37   17    2 f   40.570   12.887  -2.1825   5.6904  -0.8746   9.3183  -2.9602   7.1858   44.386   19.648   36.755   16.680 7.631329 25.77311 
1 1 1  -37   17    3 o   81.976   13.694   19.186   6.0893   31.973   9.8961   11.395   7.7249  102.503   18.549   61.448   20.151 41.05523 27.38865 
1 1 1  -37   17    4 o   46.342   13.798   2.4521   5.7762   2.6890   9.2099   2.2984   7.4160   48.460   20.471   44.224   18.508 4.235714 27.59699 
1 1 1  -37   17    5 o   83.217   13.697   21.216   5.8585   22.400   9.8037   20.558   7.3067   83.902   21.520   82.532   16.951 1.370636 27.39406 
1 1 1  -37   17    6 o   69.497   14.656   14.772   5.8178   17.152   9.2933   13.239   7.4606   73.493   21.819   65.500   19.573 7.993317 29.31157 
1 1 1  -37   17    7 o   43.788   13.316  -1.1948   5.6967   6.1091   9.3228  -5.5470   7.1965   53.480   21.362   34.096   15.904 19.38389 26.63237 
1 1 1  -37   17    8 o   84.586   13.648   22.590   5.9934   19.979   9.6934   24.206   7.6258   79.083   21.922   90.089   16.263 -11.00556 27.29596 
1 1 1  -37   17    9 o   39.439   12.705  -3.5438   5.8134  -2.1375   9.2837  -4.4509   7.4562   42.955   19.273   35.924   16.559 7.030884 25.40962 
1 1 1  -37   17   10 o   73.471   15.372   16.537   6.3530   19.874   10.524   14.624   7.9686   78.410   23.205   68.531   20.167 9.879089 30.74417 
1 1 1  -37   17   11 o   37.648   12.352  -6.3363   6.1773 -14.2599   10.072  -1.5587   7.8210   35.234   17.076   40.062   17.852 -4.828537 24.70406 
1 1 1  -37   17   12 o   75.693   20.803   14.328   11.567   29.617   20.840   7.5203   13.905   90.063   32.894   61.323   25.476 28.73994 41.60566 
1 1 1  -37   17   13 o   52.669   17.420  -9.9014   11.448   0.5597   19.820 -15.1396   14.025   62.131   27.994   43.207   20.740 18.92355 34.83976 
1 1 1  -37   17   14 o   53.831   22.125   5.4051   10.337   5.4051   10.337   0.0000   0.0000   53.831   22.125  ?   ?       ?      ? 
1 1 1  -37   17   15 o   64.683   16.340   12.430   7.2388   15.370   10.723   9.9685   9.8121   69.536   23.758   59.831   22.439 9.704456 32.67922 
1 1 1  -37   17   16 o   94.707   14.371   23.752   7.2192   47.095   12.915   13.143   8.7065  124.566   19.187   64.848   21.399 59.71793 28.74105 
1 1 1  -37   17   17 o   78.641   15.503   18.916   6.6949   26.262   11.136   14.759   8.3781   89.199   22.966   68.082   20.830 21.11662 31.00522 
1 1 1  -37   17   18 o   60.525   14.202   6.6196   6.3253   22.397   10.206  -3.2212   8.0601   82.552   22.336   38.499   17.546 44.05376 28.40347 
1 1 1  -37   17   19 o   75.280   15.526   18.401   6.6355   19.063   10.353   17.940   8.6443   75.880   23.144   74.679   20.702 1.201164 31.05183 
1 1 1  -37   17   20 o   64.527   14.193   13.016   6.6015  -0.7744   10.807   21.224   8.3377   46.970   20.954   82.084   19.148 -35.11386 28.38536 
1 1 1  -37   17   21 o   54.766   15.292   7.3561   6.6161   8.1448   10.210   6.7852   8.6866   56.722   22.451   52.810   20.770 3.912109 30.58452 
1 1 1  -37   17   22 o   66.595   13.455   13.712   6.7647  -5.3162   10.861   25.771   8.6465   42.551   19.744   90.638   18.285 -48.08654 26.90996 
1 1 1  -37   17   23 o   41.398   13.126  -2.6568   6.4865 -12.6539   10.578   3.3672   8.2115   36.559   17.665   46.238   19.420 -9.679569 26.25237 
1 1 1  -37   17   24 o   48.533   14.637   2.9976   6.5759   6.5906   10.759   0.8551   8.3083   54.082   22.433   42.985   18.806 11.09694 29.27326 
1 1 1  -37   17   25 o  134.104   10.419   51.942   7.2966   58.202   12.212   48.466   9.0995  138.974   16.261  129.233   13.030 9.740860 20.83809 
1 1 1  -37   17   26 o   32.337   11.292 -17.2233   6.7819 -16.1609   10.977 -17.8793   8.6250   35.545   17.360   29.129   14.446 6.415983 22.58468 
1 1 1  -37   17   27 o   59.532   16.017   9.1214   7.1638   16.188   11.392   4.4995   9.2135   69.328   24.443   49.737   20.706 19.59071 32.03428 
1 1 1  -37   17   28 o   38.441   12.899  -8.3192   7.0795 -10.8092   11.422  -6.7659   9.0212   39.654   18.949   37.228   17.507 2.426502 25.79850 
1 1 1  -37   17   29 o   45.908   14.088   0.1401   7.0336  -9.8299   10.965   7.1111   9.1685   38.979   18.610   52.837   21.156 -13.85815 28.17655 
1 1 1  -37   17   30 o   46.448   14.470   2.2075   7.1740  -1.8695   11.086   5.1445   9.4098   44.021   20.254   48.874   20.672 -4.853596 28.94044 
1 1 1  -37   17   31 o   51.862   15.663   2.9197   8.8947 -12.7613   13.058   16.493   12.149   39.416   19.181   64.308   24.767 -24.89225 31.32609 
1 1 1  -37   17   32 o   65.649   18.290   15.986   9.5030   20.881   14.478   12.282   12.596   71.072   27.118   60.226   24.551 10.84540 36.58053 
1 1 1  -37   17   33 o   63.520   17.574   13.706   9.4746   3.7658   14.073   21.946   12.814   52.841   23.718   74.198   25.940 -21.35730 35.14816 
1 1 1  -37   17   34 f   97.428   14.958   32.614   7.5356   42.180   12.148   26.630   9.6075  108.636   21.455   86.220   20.850 22.41608 29.91678 
1 1 1  -37   17   35 o  113.451   13.934   47.480   7.7968   30.144   11.796   60.933   10.390   86.166   24.288  140.737   13.663 -54.57073 27.86753 
1 1 1  -37   18    1 o   75.249   14.669   17.188   6.1307   23.812   9.8229   12.961   7.8465   86.090   21.245   64.408   20.234 21.68162 29.33890 
1 1 1  -37   18    2 o   39.276   12.737  -4.3000   5.9256  -1.3891   9.6190  -6.0803   7.5224   44.181   19.735   34.371   16.107 9.809956 25.47332 
1 1 1  -37   18    3 o   66.039   15.013   12.620   6.0433   19.002   9.8554   8.7747   7.6504   76.438   22.409   55.640   19.986 20.79795 30.02683 
1 1 1  -37   18    4 o   55.018   14.040   8.1299   5.8876  -0.4078   9.8786   12.833   7.3322   45.797   20.253   64.239   19.451 -18.44196 28.08097 
1 1 1  -37   18    5 o   50.194   13.454   4.8550   5.7840  -5.4463   9.3316   11.282   7.3706   39.645   18.362   60.744   19.670 -21.09950 26.90833 
1 1 1  -37   18    6 o   47.428   13.842   3.5824   5.7993  -0.7285   9.7472   5.9446   7.2152   45.170   20.040   49.687   19.100 -4.516994 27.68400 
1 1 1  -37   18    7 o   52.257   14.304   6.3972   6.0065   0.6803   9.8324   9.8008   7.5867   46.874   20.484   57.641   19.971 -10.76672 28.60817 
1 1 1  -37   18    8 o  133.821   9.6939   52.856   6.7799   42.170   10.174   61.392   9.0933  120.084   15.679  147.559   11.404 -27.47443 19.38775 
1 1 1  -37   18    9 o   70.147   15.239   15.167   6.2742   19.675   9.9445   12.186   8.0869   77.563   22.445   62.731   20.620 14.83212 30.47885 
1 1 1  -37   18   10 o   39.352   12.940  -5.3855   6.4078  -5.8882   10.613  -5.0972   8.0382   42.072   19.520   36.631   16.993 5.441158 25.88001 
1 1 1  -37   18   11 o  103.787   20.053   42.697   12.903   20.723   21.853   54.459   15.988   78.755   32.247  128.819   23.846 -50.06322 40.10593 
1 1 1  -37   18   12 o   85.763   20.119   27.919   12.015   11.095   21.517   35.541   14.483   70.227   30.502  101.299   26.245 -31.07214 40.23886 
1 1 1  -37   18   13 o   94.319   21.558   28.758   10.748   28.758   10.748   0.0000   0.0000   94.319   21.558  ?   ?       ?      ? 
1 1 1  -37   18   14 o  100.783   14.263   31.768   7.6084   41.148   11.089   23.423   10.458  117.260   17.501   84.305   22.528 32.95517 28.52654 
1 1 1  -37   18   15 o   82.929   15.580   19.061   7.1066   36.464   12.621   10.981   8.5995  105.532   22.798   60.326   21.240 45.20638 31.15906 
1 1 1  -37   18   16 o   80.710   16.118   19.542   6.9317   28.896   12.588   15.471   8.3043   91.985   24.772   69.434   20.628 22.55065 32.23587 
1 1 1  -37   18   17 o   40.743   13.282  -4.5856   6.6006  -2.3260   10.544  -6.0419   8.4644   44.781   20.275   36.705   17.164 8.075489 26.56421 
1 1 1  -37   18   18 o   50.429   14.654   3.6624   6.3841   10.018   10.314  -0.2845   8.1281   59.235   22.819   41.623   18.391 17.61187 29.30743 
1 1 1  -37   18   19 o  150.312   11.984   64.775   9.7339   0.0000   0.0000   64.775   9.7339  ?   ?   150.312   11.984      ?      ? 
1 1 1  -37   18   20 o   46.961   14.207  -0.0721   6.4598   9.6525   10.645  -5.7410   8.1274   58.211   22.961   35.711   16.737 22.49937 28.41313 
1 1 1  -37   18   21 o   83.421   14.128   24.091   7.0124   11.006   10.554   34.434   9.3830   60.109   23.101  106.733   16.269 -46.62349 28.25502 
1 1 1  -37   18   22 o   78.692   15.039   19.125   6.8605   31.995   10.903   10.690   8.8270   98.519   21.115   58.865   21.422 39.65414 30.07871 
1 1 1  -37   18   23 o   36.086   17.055  -7.3445   8.7576   0.0000   0.0000  -7.3445   8.7576  ?   ?    36.086   17.055      ?      ? 
1 1 1  -37   18   24 o   90.194   15.274   24.463   7.3930   41.051   12.406   15.328   9.2063  112.324   21.216   68.064   21.978 44.26019 30.54751 
1 1 1  -37   18   25 f   98.215   14.600   33.041   7.3814   23.859   12.086   38.503   9.3217   82.259   24.988  114.171   15.110 -31.91250 29.20097 
1 1 1  -37   18   26 o   34.290   11.813 -13.7045   6.9581 -20.5488   11.596  -9.8537   8.6979   34.618   17.091   33.963   16.311 0.6549873 23.62541 
1 1 1  -37   18   27 o   59.713   14.315   9.4337   7.1841  -8.1446   11.169   21.837   9.3822   40.060   19.029   79.365   21.392 -39.30518 28.63055 
1 1 1  -37   18   28 o   63.656   16.490   15.432   7.5261   12.591   11.788   17.387   9.7785   59.517   23.933   67.795   22.690 -8.278198 32.97906 
1 1 1  -37   18   29 o   45.098   14.961  -5.4160   9.2679   4.5586   13.868 -13.4662   12.459   52.019   23.429   38.178   18.613 13.84178 29.92267 
1 1 1  -37   18   30 o   49.812   15.825   0.9824   9.2706  -7.9167   14.051   7.8423   12.337   44.478   21.188   55.147   23.510 -10.66930 31.64911 
1 1 1  -37   18   31 o   66.066   18.336   16.614   9.5175   16.414   14.687   16.759   12.496   65.729   26.615   66.403   25.228 -0.6736755 36.67164 
1 1 1  -37   18   32 o   54.906   15.907   7.5209   7.4722   17.771   12.392   1.6649   9.3666   65.959   25.108   43.853   19.540 22.10561 31.81493 
1 1 1  -37   18   33 o   53.059   15.505   9.1129   7.2891   6.8827   11.143   10.781   9.6371   50.912   22.031   55.206   21.824 -4.293736 31.01042 
1 1 1  -37   19    1 o   75.323   14.071   18.782   6.0850   11.894   9.2354   24.066   8.0891   62.221   22.000   88.424   17.549 -26.20314 28.14195 
1 1 1  -37   19    2 o  103.782   12.029   31.870   6.5546   37.538   10.063   27.694   8.6384  112.460   16.559   95.104   17.452 17.35587 24.05827 
1 1 1  -37   19    3 o   55.653   14.183   7.6416   6.3031  -2.6996   9.8127   14.905   8.2240   43.043   19.517   68.262   20.585 -25.21846 28.36634 
1 1 1  -37   19    4 o   58.730   14.011   9.9067   6.1101  -0.5040   9.7657   16.604   7.8325   45.189   20.053   72.270   19.573 -27.08089 28.02229 
1 1 1  -37   19    5 o  117.289   10.488   40.316   6.4983   38.799   10.175   41.361   8.4449  114.427   16.455  120.150   13.007 -5.723473 20.97540 
1 1 1  -37   19    6 o   43.984   13.799  -1.4639   6.4778   3.0977   10.131  -4.6184   8.4250   49.982   21.306   37.986   17.542 11.99516 27.59850 
1 1 1  -37   19    7 o   95.394   13.950   28.369   6.8294   30.553   10.898   26.957   8.7637   97.332   21.311   93.455   18.007 3.877052 27.89981 
1 1 1  -37   19    8 o   57.565   14.939   7.8974   6.4636   15.880   9.7525   1.6440   8.6315   69.776   22.629   45.354   19.508 24.42268 29.87735 
1 1 1  -37   19    9 o  200.657   13.455  126.445   10.462  116.149   25.276  128.574   11.493  187.001   25.014  214.312   9.9245 -27.31085 26.91096 
1 1 1  -37   19   10 o   62.981   19.943   3.2817   13.132   12.457   22.879  -1.2261   16.037   71.292   31.199   54.670   24.851 16.62271 39.88668 
1 1 1  -37   19   11 o   71.490   20.238   15.278   13.270  -6.2500   23.203   25.743   16.177   59.738   28.087   83.241   29.144 -23.50284 40.47532 
1 1 1  -37   19   12 o   93.256   14.875   28.161   7.3983   36.819   10.909   20.787   10.067  107.926   19.419   78.585   22.538 29.34128 29.74974 
1 1 1  -37   19   13 o   60.681   16.491   10.263   7.7055   6.0672   10.376   15.423   11.506   53.404   22.081   67.957   24.499 -14.55296 32.98152 
1 1 1  -37   19   14 o   61.485   16.336   9.6798   7.3806   19.392   12.210   4.0882   9.2648   73.954   25.351   49.015   20.609 24.93930 32.67152 
1 1 1  -37   19   15 o   41.800   13.700  -4.2397   7.1906  -7.4032   12.013  -2.4733   8.9764   42.827   20.159   40.773   18.557 2.054062 27.39950 
1 1 1  -37   19   16 o   38.637   12.838  -6.5723   6.6450  -3.9838   10.529  -8.2858   8.5665   42.558   19.638   34.716   16.540 7.841427 25.67527 
1 1 1  -37   19   17 o   41.983   13.632  -3.2380   6.9306  -3.4256   10.924  -3.1116   8.9664   43.843   20.148   40.122   18.370 3.721401 27.26476 
1 1 1  -37   19   18 o   55.523   15.306   5.9930   6.8251   15.817   11.016  -0.1278   8.6951   68.280   24.040   42.767   18.953 25.51305 30.61249 
1 1 1  -37   19   19 f   49.050   14.636   1.2280   6.8167   10.416   10.808  -4.8412   8.7841   59.841   23.273   38.259   17.753 21.58226 29.27105 
1 1 1  -37   19   20 o   39.271   13.074  -7.6944   7.0521  -4.1318   10.777 -10.3626   9.3262   43.256   19.927   35.285   16.931 7.970806 26.14861 
1 1 1  -37   19   21 o  129.559   13.694   48.811   9.5870   0.0000   0.0000   48.811   9.5870  ?   ?   129.559   13.694      ?      ? 
1 1 1  -37   19   22 o   44.211   13.636  -3.6495   7.1745 -20.5491   11.372   7.5259   9.2473   34.279   16.924   54.143   21.386 -19.86379 27.27275 
1 1 1  -37   19   23 f   43.820   13.978  -2.2458   6.9712   2.8464   10.748  -5.9437   9.1591   49.629   21.557   38.011   17.800 11.61824 27.95555 
1 1 1  -37   19   24 f   51.896   13.900   2.8160   7.1839 -18.9962   11.495   16.797   9.2026   34.619   17.078   69.173   21.935 -34.55383 27.79958 
1 1 1  -37   19   25 o   91.300   15.073   30.013   7.2539   28.301   11.212   31.246   9.5132   86.420   23.423   96.181   18.978 -9.761475 30.14665 
1 1 1  -37   19   26 o   48.438   15.228   2.6404   8.2016  -3.1216   11.619   8.3626   11.579   43.086   20.135   53.790   22.850 -10.70400 30.45560 
1 1 1  -37   19   27 o   71.121   18.549   19.707   9.2239   25.383   14.815   16.115   11.787   76.885   27.787   65.358   24.578 11.52686 37.09715 
1 1 1  -37   19   28 o   37.655   13.061 -16.8277   8.9464 -16.0721   13.577 -17.4077   11.894   39.471   19.284   35.840   17.620 3.630810 26.12197 
1 1 1  -37   19   29 o   52.688   15.947   3.3485   9.1647 -12.0563   13.738   15.703   12.302   41.257   19.982   64.118   24.859 -22.86066 31.89454 
1 1 1  -37   19   30 o   59.428   16.575   13.251   7.7670   13.541   12.304   13.059   10.015   59.697   24.291   59.160   22.559 0.5371017 33.15055 
1 1 1  -37   19   31 o   42.824   13.946  -0.6942   7.4759  -4.9463   12.085   1.9420   9.5151   41.850   19.854   43.798   19.591 -1.947998 27.89245 
1 1 1  -37   20    1 o   60.960   14.534   11.539   6.3461   3.0837   9.5813   18.148   8.4706   48.059   20.609   73.862   20.499 -25.80301 29.06805 
1 1 1  -37   20    2 o   73.984   15.561   18.253   6.7175   23.106   10.153   14.476   8.9583   82.127   22.303   65.841   21.705 16.28597 31.12144 
1 1 1  -37   20    3 o   84.170   14.763   22.780   6.6991   30.856   10.474   17.187   8.7149   96.799   20.653   71.542   21.101 25.25676 29.52609 
1 1 1  -37   20    4 o   98.075   13.451   29.407   6.9965   50.073   10.931   15.065   9.1062  129.195   15.658   66.956   21.875 62.23862 26.90106 
1 1 1  -37   20    5 o  137.295   10.062   55.229   7.4018   58.226   11.323   52.992   9.7809  139.909   14.977  134.681   13.439 5.227631 20.12310 
1 1 1  -37   20    6 o  126.786   11.382   48.212   7.7468   50.991   11.754   46.077   10.301  129.398   16.810  124.173   15.351 5.224846 22.76487 
1 1 1  -37   20    7 o   41.110   13.279  -4.3699   6.8498 -11.3753   9.9897   1.8463   9.4103   35.953   17.321   46.266   20.133 -10.31275 26.55849 
1 1 1  -37   20    8 o   75.449   19.666   20.295   9.2722   18.930   24.200   20.530   10.038   73.730   32.181   77.168   22.614 -3.437576 39.33205 
1 1 1  -37   20    9 o   52.518   17.561  -8.0174   13.224 -25.1351   23.579  -0.1636   15.972   50.938   24.996   54.098   24.672 -3.159508 35.12128 
1 1 1  -37   20   10 f   87.681   22.383   28.310   13.702   50.338   22.699   15.680   17.187  106.187   34.529   69.175   28.493 37.01256 44.76667 
1 1 1  -37   20   11 o   57.473   15.533   7.4886   7.3044   16.976   10.726  -0.7160   9.9747   70.289   23.763   44.656   20.011 25.63306 31.06607 
1 1 1  -37   20   12 o   52.530   15.845   4.6024   7.9307   6.1727   10.394   2.4144   12.269   53.394   22.091   51.666   22.722 1.728054 31.69073 
1 1 1  -37   20   13 o   39.223   13.028  -7.2561   7.1112 -11.5877   10.589  -3.6973   9.5978   37.321   17.943   41.126   18.894 -3.804760 26.05592 
1 1 1  -37   20   14 o   69.673   16.388   16.736   7.9203   6.6914   12.978   22.697   9.9983   57.209   24.241   82.137   22.060 -24.92752 32.77565 
1 1 1  -37   20   15 o   90.081   14.915   27.599   7.7147   15.054   11.286   38.603   10.570   67.406   24.268  112.755   17.348 -45.34890 29.83078 
1 1 1  -37   20   16 o  126.856   17.634   48.988   12.088   48.988   12.088   0.0000   0.0000  126.856   17.634  ?   ?       ?      ? 
1 1 1  -37   20   17 o   85.054   15.293   25.360   7.4456   15.205   11.446   32.811   9.8035   67.737   24.432  102.370   18.399 -34.63303 30.58516 
1 1 1  -37   20   18 o   91.826   23.997   29.254   12.040   29.254   12.040   0.0000   0.0000   91.826   23.997  ?   ?       ?      ? 
1 1 1  -37   20   19 o   45.881   14.037  -4.9766   6.9142   11.321   11.104 -15.2976   8.8364   60.878   23.613   30.884   15.185 29.99366 28.07404 
1 1 1  -37   20   20 o   45.039   14.128  -3.1799   6.9315   8.8348   11.306 -10.4157   8.7739   56.657   23.196   33.421   16.134 23.23616 28.25546 
1 1 1  -37   20   21 o   64.330   15.886   15.339   7.1605   9.4897   11.483   19.062   9.1596   56.115   23.218   72.544   21.690 -16.42844 31.77274 
1 1 1  -37   20   22 o   47.699   14.687   4.2702   7.0558   3.2214   10.961   5.0121   9.2199   47.721   21.208   47.677   20.325 0.4391098E-01 29.37464 
1 1 1  -37   20   23 o   49.661   14.219   3.3890   7.1125 -11.0506   10.731   14.702   9.4985   36.417   17.644   62.906   22.304 -26.48904 28.43879 
1 1 1  -37   20   24 o   87.967   16.767   29.509   8.9559   16.233   12.637   42.905   12.694   65.569   25.258  110.365   22.057 -44.79555 33.53315 
1 1 1  -37   20   25 o   42.396   14.242  -7.4312   8.8106  -8.2275   13.221  -6.7950   11.817   43.096   20.536   41.696   19.738 1.400272 28.48373 
1 1 1  -37   20   26 o   50.755   16.129   1.8704   9.1505   9.8468   14.287  -3.6779   11.915   57.868   24.994   43.643   20.393 14.22540 32.25786 
1 1 1  -37   20   27 o   66.979   18.207   19.089   9.3380   16.986   13.680   20.923   12.778   64.059   25.775   69.898   25.722 -5.838264 36.41385 
1 1 1  -37   20   28 o   48.052   14.962   4.6444   7.5339   2.9069   11.735   5.8628   9.8265   47.488   21.455   48.616   20.860 -1.128193 29.92422 
1 1 1  -37   21    1 o  116.259   15.766   40.214   9.9044   0.0000   0.0000   40.214   9.9044  ?   ?   116.259   15.766      ?      ? 
1 1 1  -37   21    2 o  127.340   15.918   48.326   10.953   48.326   10.953   0.0000   0.0000  127.340   15.918  ?   ?       ?      ? 
1 1 1  -37   21    3 o   96.277   12.968   32.503   7.2467   6.1131   10.597   55.686   9.9321   53.858   22.296  138.697   13.252 -84.83855 25.93687 
1 1 1  -37   21    4 o  128.585   15.056   48.789   10.461   0.0000   0.0000   48.789   10.461  ?   ?   128.585   15.056      ?      ? 
1 1 1  -37   21    5 o   97.184   14.196   30.627   7.3026   24.786   10.691   35.736   9.9984   85.581   22.734  108.786   17.009 -23.20448 28.39225 
1 1 1  -37   21    6 o   85.072   13.794   25.002   7.5479   4.3440   11.427   40.991   10.053   52.823   22.575  117.322   15.858 -64.49915 27.58819 
1 1 1  -37   21    7 o   88.228   22.560   29.615   13.862   44.212   21.917   19.883   17.897  101.581   33.969   74.874   29.696 26.70683 45.11927 
1 1 1  -37   21    8 o   77.762   21.692   21.423   13.411   30.225   20.588   14.935   17.675   85.955   32.448   69.569   28.797 16.38633 43.38356 
1 1 1  -37   21    9 o   58.562   17.917   6.0594   9.6752   5.3701   11.500   7.7297   17.901   54.069   22.859   63.054   27.595 -8.985027 35.83356 
1 1 1  -37   21   10 o   69.425   16.656   15.916   7.5682   20.467   11.043   11.886   10.392   76.872   23.981   61.978   23.122 14.89381 33.31274 
1 1 1  -37   21   11 o   39.901   13.368 -15.5106   8.5090   0.3629   11.237 -36.8468   13.028   48.128   21.426   31.675   15.992 16.45333 26.73625 
1 1 1  -37   21   12 o   64.837   17.598   12.268   8.6981   6.9826   11.327   19.863   13.579   55.457   23.012   74.218   26.630 -18.76147 35.19509 
1 1 1  -37   21   13 o   41.939   13.906  -6.2079   7.8490  -8.1847   12.370  -4.8757   10.155   42.861   20.261   41.018   19.052 1.843330 27.81157 
1 1 1  -37   21   14 o  110.914   14.044   41.130   7.9484   31.272   11.863   49.160   10.707   94.217   23.406  127.611   15.527 -33.39352 28.08779 
1 1 1  -37   21   15 o   45.341   14.343   0.5927   7.1673   1.0361   10.803   0.2440   9.5793   46.750   20.896   43.932   19.654 2.817413 28.68652 
1 1 1  -37   21   16 o   46.107   14.333   2.1956   7.0330  -1.7946   10.430   5.5225   9.5239   42.869   19.695   49.344   20.829 -6.474747 28.66648 
1 1 1  -37   21   17 f   39.884   13.244  -4.6058   7.2725  -6.9117   10.873  -2.7390   9.7830   39.274   18.690   40.494   18.771 -1.219803 26.48895 
1 1 1  -37   21   18 o   64.312   16.034   15.764   7.4956   8.2425   11.324   21.628   9.9997   53.453   22.646   75.170   22.705 -21.71613 32.06844 
1 1 1  -37   21   19 o   49.125   14.815   5.0763   7.1160   0.4769   10.916   8.4752   9.3839   45.339   20.569   52.910   21.327 -7.570778 29.62934 
1 1 1  -37   21   20 o   34.477   11.778 -12.9941   6.9884 -25.7840   10.870  -3.9822   9.1241   30.293   15.203   38.661   17.992 -8.368408 23.55504 
1 1 1  -37   21   21 o   83.281   17.136   25.770   8.5574   16.993   11.597   36.261   12.679   67.291   24.544   99.270   23.919 -31.97958 34.27143 
1 1 1  -37   21   22 o   49.601   15.786   0.6456   9.0312   8.5405   13.323  -6.0653   12.284   56.410   24.250   42.792   20.216 13.61823 31.57123 
1 1 1  -37   21   23 o   49.504   15.618  -0.6519   9.0539   13.516   13.338 -12.7568   12.329   60.668   25.056   38.340   18.653 22.32833 31.23693 
1 1 1  -37   21   24 o   40.148   13.646 -11.7730   9.0903 -26.5315   13.637   0.0285   12.195   34.431   17.244   45.866   21.154 -11.43462 27.29193 
1 1 1  -37   21   25 o   43.249   14.383  -7.9928   7.9965   9.7748   13.920 -16.7448   9.7694   55.414   24.290   31.084   15.408 24.33074 28.76528 
1 1 1  -37   22    1 o   49.908   14.815   6.3373   6.7632   4.9862   9.4311   7.7677   9.7038   47.958   20.503   51.859   21.390 -3.900417 29.62986 
1 1 1  -37   22    2 o   50.699   14.574   4.9285   6.8797   14.390   9.9173  -3.8482   9.5518   62.233   22.697   39.165   18.287 23.06838 29.14754 
1 1 1  -37   22    3 o   40.802   13.275  -3.0823   6.7976   2.5607   10.051  -7.8396   9.2284   46.107   20.408   35.497   16.982 10.61027 26.54920 
1 1 1  -37   22    4 o   55.049   13.881   1.6392   7.0581   23.755   10.501 -16.5863   9.5326   79.034   23.120   31.065   15.367 47.96844 27.76141 
1 1 1  -37   22    5 o   71.237   19.336   20.786   9.4955   24.820   21.358   19.792   10.601   71.052   30.624   71.422   23.615 -0.3697510 38.67149 
1 1 1  -37   22    6 o   45.601   15.812 -16.4215   13.180 -16.1464   19.705 -16.6441   17.730   46.807   22.945   44.396   21.763 2.410858 31.62422 
1 1 1  -37   22    7 o   69.326   20.918   22.612   13.897   20.340   21.533   24.234   18.193   67.235   29.810   71.418   29.353 -4.182671 41.83606 
1 1 1  -37   22    8 o   40.697   13.232  -4.7733   7.0617   4.6898   10.012 -14.1431   9.9622   48.261   20.883   33.133   16.256 15.12798 26.46473 
1 1 1  -37   22    9 o  110.009   12.747   39.773   7.5631   41.477   11.111   38.302   10.324  111.794   18.393  108.224   17.654 3.569847 25.49382 
1 1 1  -37   22   10 o   37.615   12.605  -9.4313   7.1943 -20.4905   10.275   1.2063   10.077   30.763   15.339   44.468   20.005 -13.70557 25.20928 
1 1 1  -37   22   11 o   55.680   16.392   9.6005   8.0361   7.4532   10.415   12.759   12.632   51.897   21.838   59.463   24.452 -7.566441 32.78385 
1 1 1  -37   22   12 o   47.587   14.948   2.3297   7.5148   7.2658   12.042  -0.8186   9.6173   53.198   22.962   41.977   19.145 11.22069 29.89569 
1 1 1  -37   22   13 o   71.134   17.240   18.332   7.8687   27.185   12.961   13.165   9.9024   81.547   26.051   60.722   22.587 20.82492 34.47931 
1 1 1  -37   22   14 o   38.229   12.892  -7.7973   7.3100  -9.1220   11.363  -6.8618   9.5482   39.237   18.790   37.221   17.655 2.015949 25.78327 
1 1 1  -37   22   15 o   55.260   15.440   6.9216   7.1498   17.275   11.186  -0.2289   9.2966   67.884   24.190   42.636   19.195 25.24736 30.88057 
1 1 1  -37   22   16 o   44.404   14.258  -1.1388   7.4199   2.9236   11.143  -4.3756   9.9459   48.740   21.535   40.067   18.692 8.672981 28.51573 
1 1 1  -37   22   17 o   45.441   14.280  -2.3894   7.4764   9.3766   11.130 -12.0626   10.092   55.947   22.973   34.935   16.969 21.01199 28.56037 
1 1 1  -37   22   18 o   39.700   13.264 -13.5996   8.3649   4.0483   11.203 -35.8333   12.575   49.211   21.675   30.189   15.295 19.02182 26.52881 
1 1 1  -37   22   19 o   51.623   16.234   5.4096   9.1071   7.1869   13.042   3.7185   12.722   53.358   23.448   49.889   22.458 3.468327 32.46775 
1 1 1  -37   22   20 o   59.718   16.810   10.103   9.3091   25.901   13.444  -4.4504   12.903   75.937   26.569   43.498   20.601 32.43959 33.61961 
1 1 1  -37   22   21 o   64.118   17.937   17.573   9.1861   18.358   13.601   16.914   12.457   64.788   25.827   63.448   24.898 1.340504 35.87360 
1 1 1  -37   23    1 o   77.460   15.472   21.871   6.9189   17.034   9.7756   26.728   9.7942   67.825   22.686   87.096   21.045 -19.27077 30.94458 
1 1 1  -37   23    2 o   44.700   13.999   1.3537   6.7541  -1.2302   9.5936   3.8929   9.5103   42.009   19.144   47.391   20.431 -5.381535 27.99850 
1 1 1  -37   23    3 o   36.102   12.169  -7.6853   6.5810  -6.8352   9.2269  -8.5656   9.3892   36.551   17.342   35.653   17.076 0.8983154 24.33793 
1 1 1  -37   23    4 o   64.458   19.169 -10.6009   14.096   45.135   21.835 -50.4279   18.457   92.941   33.712   35.975   18.259 56.96505 38.33895 
1 1 1  -37   23    5 o   70.280   21.150   20.707   14.018   27.613   21.130   15.279   18.734   75.509   31.390   65.050   28.355 10.45944 42.30031 
1 1 1  -37   23    6 o   48.664   15.887   0.2468   9.0255   2.6245   10.327  -7.4437   18.572   47.129   20.782   50.199   24.036 -3.070900 31.77406 
1 1 1  -37   23    7 o   42.771   13.732  -1.3502   7.0005   2.6744   9.9074  -5.3630   9.8930   46.531   20.442   39.011   18.342 7.519966 27.46453 
1 1 1  -37   23    8 o   77.233   14.882   21.428   7.4546   7.6452   10.596   34.935   10.490   53.112   22.166  101.354   19.863 -48.24301 29.76338 
1 1 1  -37   23    9 o   52.645   15.223   5.7711   7.4863   15.086   10.688  -3.2012   10.489   63.645   23.507   41.644   19.350 22.00154 30.44683 
1 1 1  -37   23   10 o   70.163   16.165   16.723   8.1642   3.8302   11.045   32.252   12.122   48.747   21.494   91.579   24.150 -42.83236 32.32957 
1 1 1  -37   23   11 o   47.175   14.787   2.4077   7.4990   7.0508   11.253  -1.3014   10.058   52.171   22.353   42.179   19.364 9.992317 29.57395 
1 1 1  -37   23   12 o   66.966   17.268   17.206   7.9903   23.874   12.868   13.022   10.194   74.526   25.998   59.406   22.734 15.11945 34.53587 
1 1 1  -37   23   13 o   67.404   15.537   14.501   7.6760   31.915   11.736   1.4850   10.147   90.283   23.741   44.524   20.049 45.75916 31.07382 
1 1 1  -37   23   14 o   42.818   14.110  -4.7204   8.3424   4.9554   11.665 -14.8491   11.935   49.481   21.940   36.154   17.750 13.32725 28.22045 
1 1 1  -37   23   15 o   48.093   15.423   2.9759   8.6719   2.3491   12.597   3.5405   11.956   47.906   21.873   48.281   21.749 -0.3745918 30.84521 
1 1 1  -36    0    1 o   80.662   11.744   19.836   6.3937   19.836   6.3937   19.836   6.3937   80.662   16.608   80.662   16.608 0.000000 0.000000 
1 1 1  -36    0    2 o  141.700   6.6515   55.186   7.1298   55.186   7.1298   55.186   7.1298  141.700   9.4067  141.700   9.4067 0.000000 0.000000 
1 1 1  -36    0    3 o  144.840   6.7095   57.643   7.3534   57.643   7.3534   57.643   7.3534  144.840   9.4887  144.840   9.4887 0.000000 0.000000 
1 1 1  -36    0    4 o   90.308   10.418   23.911   6.6153   23.911   6.6153   23.911   6.6153   90.308   14.734   90.308   14.734 0.000000 0.000000 
1 1 1  -36    0    5 o   86.505   10.900   22.229   6.5237   22.229   6.5237   22.229   6.5237   86.505   15.415   86.505   15.415 0.000000 0.000000 
1 1 1  -36    0    6 o  185.648   5.6990   93.928   8.0506   93.928   8.0506   93.928   8.0506  185.648   8.0596  185.648   8.0596 0.000000 0.000000 
1 1 1  -36    0    7 o   80.149   12.185   19.766   6.5507   19.766   6.5507   19.766   6.5507   80.149   17.233   80.149   17.233 0.000000 0.000000 
1 1 1  -36    0    8 o   22.783   11.086  -4.5257   6.3451  -4.5257   6.3451  -4.5257   6.3451   22.783   15.678   22.783   15.678 0.000000 0.000000 
1 1 1  -36    0    9 o   35.590   14.644   4.2793   6.5651   4.2793   6.5651   4.2793   6.5651   35.590   20.709   35.590   20.709 0.000000 0.000000 
1 1 1  -36    0   10 o   48.329   15.871   9.4021   6.4964   9.4021   6.4964   9.4021   6.4964   48.329   22.445   48.329   22.445 0.000000 0.000000 
1 1 1  -36    0   11 o   63.758   15.205   14.370   6.6242   14.370   6.6242   14.370   6.6242   63.758   21.503   63.758   21.503 0.000000 0.000000 
1 1 1  -36    0   12 o   41.592   15.401   6.9587   6.4425   6.9587   6.4425   6.9587   6.4425   41.592   21.781   41.592   21.781 0.000000 0.000000 
1 1 1  -36    0   13 o  183.295   5.9838   91.676   8.3409   91.676   8.3409   91.676   8.3409  183.295   8.4623  183.295   8.4623 0.000000 0.000000 
1 1 1  -36    0   14 o  210.314   5.5680  120.384   8.9205  120.384   8.9205  120.384   8.9205  210.314   7.8744  210.314   7.8744 0.000000 0.000000 
1 1 1  -36    0   15 o  104.629   9.6098   31.301   7.3258   31.301   7.3258   31.301   7.3258  104.629   13.590  104.629   13.590 0.000000 0.000000 
1 1 1  -36    0   16 o  144.121   7.0629   57.218   7.6931   57.218   7.6931   57.218   7.6931  144.121   9.9885  144.121   9.9885 0.000000 0.000000 
1 1 1  -36    0   17 o   37.401   15.142   5.0314   6.8446   5.0314   6.8446   5.0314   6.8446   37.401   21.414   37.401   21.414 0.000000 0.000000 
1 1 1  -36    0   18 o   23.298   11.885 -19.2928   10.743 -19.2928   10.743 -19.2928   10.743   23.298   16.808   23.298   16.808 0.000000 0.000000 
1 1 1  -36    0   21 o  321.379   5.7398  280.826   14.076  280.826   14.076  280.826   14.076  321.379   8.1173  321.379   8.1173 0.000000 0.000000 
1 1 1  -36    0   22 o  375.964   5.8847  384.287   16.889  384.287   16.889  384.287   16.889  375.964   8.3222  375.964   8.3222 0.000000 0.000000 
1 1 1  -36    0   23 o  168.060   6.5733   77.472   8.3831   77.472   8.3831   77.472   8.3831  168.060   9.2961  168.060   9.2961 0.000000 0.000000 
1 1 1  -36    0   25 o   27.929   13.620  -6.8559   9.7042  -6.8559   9.7042  -6.8559   9.7042   27.929   19.262   27.929   19.262 0.000000 0.000000 
1 1 1  -36    0   26 o   83.277   19.728   25.068   11.203   25.068   11.203   25.068   11.203   83.277   27.899   83.277   27.899 0.000000 0.000000 
1 1 1  -36    0   27 o  157.662   9.8299   69.820   11.632   69.820   11.632   69.820   11.632  157.662   13.902  157.662   13.902 0.000000 0.000000 
1 1 1  -36    0   28 o   60.959   19.817   15.495   10.118   15.495   10.118   15.495   10.118   60.959   28.026   60.959   28.026 0.000000 0.000000 
1 1 1  -36    0   29 o   16.650   8.6263 -18.0700   7.0675 -18.0700   7.0675 -18.0700   7.0675   16.650   12.199   16.650   12.199 0.000000 0.000000 
1 1 1  -36    0   30 o   33.717   14.636   2.9051   7.2714   2.9051   7.2714   2.9051   7.2714   33.717   20.698   33.717   20.698 0.000000 0.000000 
1 1 1  -36    0   31 o   52.749   16.275   11.234   6.8173   11.234   6.8173   11.234   6.8173   52.749   23.016   52.749   23.016 0.000000 0.000000 
1 1 1  -36    0   32 f  134.087   7.8780   50.226   7.9442   50.226   7.9442   50.226   7.9442  134.087   11.141  134.087   11.141 0.000000 0.000000 
1 1 1  -36    0   33 o  175.898   6.5969   85.116   8.8106   85.116   8.8106   85.116   8.8106  175.898   9.3294  175.898   9.3294 0.000000 0.000000 
1 1 1  -36    0   34 o  325.430   5.8610  289.069   14.555  289.069   14.555  289.069   14.555  325.430   8.2888  325.430   8.2888 0.000000 0.000000 
1 1 1  -36    0   35 o  136.977   8.1425   52.601   8.3848   52.601   8.3848   52.601   8.3848  136.977   11.515  136.977   11.515 0.000000 0.000000 
1 1 1  -36    0   36 o  110.565   9.7366   35.319   7.8824   35.319   7.8824   35.319   7.8824  110.565   13.770  110.565   13.770 0.000000 0.000000 
1 1 1  -36    0   37 o   24.208   11.932  -6.7943   7.9754  -6.7943   7.9754  -6.7943   7.9754   24.208   16.875   24.208   16.875 0.000000 0.000000 
1 1 1  -36    0   38 o   65.262   16.428   15.946   7.4693   15.946   7.4693   15.946   7.4693   65.262   23.233   65.262   23.233 0.000000 0.000000 
1 1 1  -36    0   39 o   26.186   12.512  -2.8366   7.3295  -2.8366   7.3295  -2.8366   7.3295   26.186   17.694   26.186   17.694 0.000000 0.000000 
1 1 1  -36    0   40 o  192.138   6.7115  101.918   9.7997  101.918   9.7997  101.918   9.7997  192.138   9.4915  192.138   9.4915 0.000000 0.000000 
1 1 1  -36    0   41 o   97.197   12.362   28.989   8.2987   28.989   8.2987   28.989   8.2987   97.197   17.482   97.197   17.482 0.000000 0.000000 
1 1 1  -36    0   42 o   23.941   11.786  -6.2197   7.7152  -6.2197   7.7152  -6.2197   7.7152   23.941   16.667   23.941   16.667 0.000000 0.000000 
1 1 1  -36    0   43 o   65.403   18.243   17.438   8.7631   17.438   8.7631   17.438   8.7631   65.403   25.799   65.403   25.799 0.000000 0.000000 
1 1 1  -36    0   44 f   48.650   18.047   10.845   8.8573   10.845   8.8573   10.845   8.8573   48.650   25.522   48.650   25.522 0.000000 0.000000 
1 1 1  -36    0   46 o   23.026   11.714 -15.6837   10.109 -15.6837   10.109 -15.6837   10.109   23.026   16.566   23.026   16.566 0.000000 0.000000 
1 1 1  -36    0   49 o   20.574   10.572 -17.7133   9.3304 -17.7133   9.3304 -17.7133   9.3304   20.574   14.951   20.574   14.951 0.000000 0.000000 
1 1 1  -36    0   50 o   90.667   16.047   29.140   9.6184   29.140   9.6184   29.140   9.6184   90.667   22.695   90.667   22.695 0.000000 0.000000 
1 1 1  -36    1    1 o  161.311   6.1090   70.847   5.3144   65.265   7.4702   76.567   7.5620  154.834   8.9284  167.786   8.3405 -12.95210 12.21801 
1 1 1  -36    1    2 o   41.771   10.988  -1.6034   4.3042 -11.6415   5.9680   9.2776   6.2136   25.770   12.631   57.773   17.983 -32.00269 21.97551 
1 1 1  -36    1    3 o  190.661   5.6692   98.613   5.8336  105.614   8.4497   92.238   8.0637  197.125   7.9326  184.196   8.1015 12.92912 11.33840 
1 1 1  -36    1    4 o  221.074   5.3804  132.793   6.4245  127.729   9.0619  137.910   9.1095  216.816   7.7346  225.332   7.4814 -8.515991 10.76083 
1 1 1  -36    1    5 o  105.842   8.5095   30.874   4.8314   27.079   6.9116   34.501   6.7563   99.337   12.876  112.346   11.129 -13.00892 17.01905 
1 1 1  -36    1    6 o  241.008   5.3526  157.720   6.9671  159.728   10.045  155.859   9.6719  242.469   7.6664  239.547   7.4719 2.921539 10.70529 
1 1 1  -36    1    7 o  147.406   6.7437   59.155   5.3681   62.163   7.7180   56.336   7.4714  151.043   9.4562  143.769   9.6172 7.274414 13.48743 
1 1 1  -36    1    8 o  281.653   5.3636  215.511   8.1626  215.298   11.605  215.720   11.484  281.506   7.6288  281.800   7.5414 -0.2934265 10.72716 
1 1 1  -36    1    9 o  101.385   9.1473   28.217   5.0112   28.521   7.1183   27.917   7.0559  101.929   12.924  100.841   12.949 1.088127 18.29465 
1 1 1  -36    1   10 o   65.647   12.694   12.366   4.6817   10.010   6.6080   14.741   6.6338   59.847   18.531   71.448   17.355 -11.60083 25.38851 
1 1 1  -36    1   11 o   42.543   12.421   1.5974   4.6557   0.4415   6.6624   2.7005   6.5087   40.890   17.350   44.197   17.780 -3.307655 24.84228 
1 1 1  -36    1   12 o   62.766   11.046   9.7802   4.6024   0.0073   6.3679   20.469   6.6596   39.360   16.838   86.172   14.302 -46.81184 22.09209 
1 1 1  -36    1   13 o  211.725   5.5398  121.915   6.3351  118.304   8.9908  125.476   8.9278  208.586   7.9768  214.864   7.6894 -6.277893 11.07951 
1 1 1  -36    1   14 o  224.514   5.5313  136.867   6.7001  140.046   9.7957  134.072   9.1847  226.931   7.9883  222.097   7.6530 4.833603 11.06261 
1 1 1  -36    1   15 o  135.635   7.3542   50.466   5.3391   42.160   7.4849   59.071   7.6182  124.112   11.161  147.158   9.5803 -23.04612 14.70845 
1 1 1  -36    1   16 o   59.065   13.015   9.5508   4.8700   4.8074   7.1370   13.684   6.6619   49.400   18.994   68.730   17.797 -19.33001 26.02921 
1 1 1  -36    1   17 o  119.278   8.2070   39.195   5.2369   45.957   7.4634   32.637   7.3501  129.597   10.657  108.959   12.484 20.63780 16.41409 
1 1 1  -36    1   18 o  135.582   10.946   49.955   7.9315   42.477   10.379   60.450   12.297  123.640   15.535  147.524   15.426 -23.88439 21.89273 
1 1 1  -36    1   20 o  131.789   16.759   48.649   11.935   0.0000   0.0000   48.649   11.935  ?   ?   131.789   16.759      ?      ? 
1 1 1  -36    1   21 o   34.142   11.524 -12.3597   5.6686 -17.3668   7.1889  -4.1284   9.2173   26.221   13.035   42.064   19.009 -15.84303 23.04853 
1 1 1  -36    1   22 o  260.536   5.5948  184.954   7.8758  188.218   11.223  181.788   11.055  262.802   7.9032  258.269   7.9212 4.533447 11.18959 
1 1 1  -36    1   23 o  190.659   6.1991   99.269   6.3754   91.546   8.9171  107.345   9.1186  183.014   9.0167  198.303   8.5096 -15.28922 12.39820 
1 1 1  -36    1   24 o  195.716   7.5533  105.034   7.5295  104.635   9.2192  105.833   13.049  195.699   8.7180  195.733   12.337 -0.3358459E-01 15.10655 
1 1 1  -36    1   25 o  160.695   8.4665   67.934   7.0053   60.951   8.5162   82.545   12.319  148.913   10.583  172.476   13.218 -23.56287 16.93296 
1 1 1  -36    1   26 o   78.707   18.112   18.282   7.5434   0.0000   0.0000   18.282   7.5434  ?   ?    78.707   18.112      ?      ? 
1 1 1  -36    1   27 o   95.822   13.550   24.894   6.3932   34.707   11.639   20.654   7.6508  107.831   20.727   83.814   17.460 24.01691 27.10100 
1 1 1  -36    1   28 o  168.492   7.7998   78.981   6.8953   80.890   8.8269   75.991   11.044  171.596   9.5195  165.387   12.358 6.210007 15.59953 
1 1 1  -36    1   29 o   77.312   12.829   17.722   5.2513   17.094   7.1058   18.477   7.7949   75.931   17.653   78.694   18.621 -2.763550 25.65878 
1 1 1  -36    1   30 o  101.310   9.7582   28.765   5.3389   29.625   7.7149   27.975   7.3959  102.736   13.897   99.884   13.703 2.851448 19.51638 
1 1 1  -36    1   31 o   80.539   12.221   19.273   5.1768   23.372   7.4459   15.438   7.2022   89.419   15.997   71.659   18.480 17.75978 24.44209 
1 1 1  -36    1   32 o  102.688   9.1362   29.645   5.0462   26.645   7.1686   32.591   7.1046   97.313   13.633  108.063   12.167 -10.74969 18.27234 
1 1 1  -36    1   33 o   58.611   13.626   9.7533   5.1055   12.577   7.1780   6.8615   7.2633   64.781   19.162   52.441   19.377 12.34002 27.25167 
1 1 1  -36    1   34 o   53.448   12.803   5.6594   5.2703  -3.4224   7.4551   14.733   7.4516   37.300   16.951   69.596   19.193 -32.29572 25.60676 
1 1 1  -36    1   35 o  137.979   8.0865   53.300   5.9165   66.946   8.5788   40.921   8.1705  155.322   10.221  120.636   12.534 34.68591 16.17310 
1 1 1  -36    1   36 o  132.871   7.9884   49.511   5.7164   52.750   7.9686   46.076   8.2049  137.586   10.718  128.156   11.848 9.429825 15.97679 
1 1 1  -36    1   37 o  187.305   6.5448   97.107   6.6136   89.920   9.2461  104.638   9.4638  180.088   9.5014  194.522   9.0034 -14.43370 13.08963 
1 1 1  -36    1   38 o  148.097   7.8415   61.690   6.2322   69.650   8.8071   53.705   8.8201  158.064   10.311  138.131   11.817 19.93237 15.68299 
1 1 1  -36    1   39 o   41.405   12.922  -0.8137   5.6597  -0.5770   8.0344  -1.0468   7.9739   41.761   18.376   41.049   18.173 0.7114487 25.84456 
1 1 1  -36    1   40 o   91.728   11.978   25.179   5.7201   33.945   8.4034   17.610   7.8082  108.495   14.334   74.960   19.194 33.53592 23.95521 
1 1 1  -36    1   41 o  111.713   10.458   36.300   6.2983   33.246   8.8132   39.487   9.0041  106.635   15.295  116.791   14.267 -10.15582 20.91626 
1 1 1  -36    1   42 o   73.263   14.314   17.254   5.8574   16.833   8.3386   17.664   8.2297   72.307   20.435   74.220   20.048 -1.913261 28.62716 
1 1 1  -36    1   43 o   46.699   13.685   2.6949   5.9448   8.1502   8.4645  -2.6149   8.3510   54.103   20.713   39.296   17.890 14.80720 27.36952 
1 1 1  -36    1   44 o   63.769   14.938   13.162   6.2465   8.4661   9.0201   17.489   8.6587   55.114   21.309   72.424   20.940 -17.30976 29.87531 
1 1 1  -36    1   45 o  100.138   13.241   32.056   6.8748   46.852   9.9144   18.353   9.5411  126.336   14.523   73.940   22.144 52.39574 26.48115 
1 1 1  -36    1   46 o   38.614   13.194 -13.4284   7.8194 -17.3953   9.8551  -6.6869   12.847   32.302   15.911   44.926   21.051 -12.62468 26.38820 
1 1 1  -36    1   49 o   68.784   15.230   16.954   6.6708   23.565   9.4757   10.458   9.3927   81.222   21.320   56.345   21.756 24.87688 30.46052 
1 1 1  -36    1   50 o   55.155   14.985   9.6417   6.7669   2.4836   9.4527   17.166   9.6915   44.333   19.699   65.977   22.586 -21.64373 29.96947 
1 1 1  -36    2    1 o  158.826   6.1371   68.630   5.2664   67.387   7.3751   69.922   7.5227  157.361   8.6733  160.292   8.6851 -2.930649 12.27426 
1 1 1  -36    2    2 o  141.750   6.6340   54.937   5.0523   48.137   7.1362   61.771   7.1539  132.852   9.9405  150.648   8.7880 -17.79659 13.26810 
1 1 1  -36    2    3 o  166.271   5.9609   75.187   5.3534   75.659   7.6933   74.745   7.4541  166.762   8.5375  165.780   8.3210 0.9814301 11.92172 
1 1 1  -36    2    4 f  208.274   5.5640  117.781   6.2577  120.760   9.0549  115.058   8.6579  210.780   7.9500  205.769   7.7866 5.011002 11.12807 
1 1 1  -36    2    5 o  275.762   5.3340  206.604   7.9398  205.886   11.486  207.262   10.988  275.267   7.7218  276.257   7.3607 -0.9895020 10.66800 
1 1 1  -36    2    6 o  100.658   9.0440   27.747   4.8872   32.273   7.0937   23.658   6.7429  108.537   12.095   92.778   13.450 15.75884 18.08806 
1 1 1  -36    2    7 o  316.165   5.4505  271.509   9.3058  274.330   13.436  268.909   12.901  317.715   7.8258  314.615   7.5887 3.099915 10.90102 
1 1 1  -36    2    8 f  172.895   6.1428   81.294   5.7246   89.410   8.2255   73.670   7.9721  181.299   8.3961  164.490   8.9690 16.80899 12.28570 
1 1 1  -36    2    9 o  194.043   5.7610  102.495   6.0339   98.046   8.5959  106.816   8.4719  189.852   8.3789  198.234   7.9088 -8.382675 11.52196 
1 1 1  -36    2   10 o  160.434   6.4317   70.012   5.5577   78.096   8.0191   62.539   7.7097  169.381   8.7613  151.487   9.4183 17.89404 12.86331 
1 1 1  -36    2   11 o  157.982   6.4673   67.968   5.5143   63.476   7.7156   72.658   7.8838  152.619   9.3556  163.346   8.9318 -10.72745 12.93465 
1 1 1  -36    2   12 o  182.157   5.9031   90.193   5.8067   94.853   8.3402   85.809   8.0895  186.732   8.2655  177.582   8.4301 9.150177 11.80612 
1 1 1  -36    2   13 o  192.078   5.8591  100.811   6.0537   93.803   8.7786  107.165   8.3592  185.609   8.7527  198.547   7.7914 -12.93867 11.71815 
1 1 1  -36    2   14 o   90.858   10.880   23.325   5.0626   32.431   7.4357   15.456   6.9120  108.664   12.663   73.052   17.697 35.61220 21.76091 
1 1 1  -36    2   15 o  179.233   6.1136   87.498   5.9063   87.247   8.6567   87.717   8.0788  178.942   8.9527  179.525   8.3279 -0.5834351 12.22722 
1 1 1  -36    2   16 o  247.826   5.5033  167.022   7.3686  167.965   10.533  166.119   10.312  248.498   7.8442  247.154   7.7211 1.343613 11.00669 
1 1 1  -36    2   17 o   39.832   12.695  -3.3247   5.6368  -2.1424   7.1120  -5.3221   9.2440   38.546   17.109   41.117   18.759 -2.570744 25.38931 
1 1 1  -36    2   18 o  191.725   8.2051  100.793   8.4949   96.892   11.763  105.045   12.281  187.858   11.588  195.593   11.620 -7.735626 16.41011 
1 1 1  -36    2   20 o  176.318   9.5541   85.930   8.9990   86.644   13.823   85.405   11.855  176.643   14.482  175.992   12.466 0.6508179 19.10824 
1 1 1  -36    2   21 o  167.683   9.5174   78.905   8.4945   68.986   12.594   87.185   11.506  157.459   14.801  177.908   11.969 -20.44875 19.03476 
1 1 1  -36    2   22 o  210.182   5.8110  120.443   6.5969  115.475   9.2447  125.598   9.4166  205.744   8.3153  214.621   8.1196 -8.876572 11.62208 
1 1 1  -36    2   23 o  102.343   12.191   29.694   6.1493   29.224   7.4779   30.676   10.807  102.669   13.479  102.017   20.318 0.6517944 24.38200 
1 1 1  -36    2   24 o  125.504   9.8625   42.809   6.3743   40.669   7.8188   47.050   11.007  121.410   11.918  129.598   15.717 -8.188240 19.72495 
1 1 1  -36    2   25 o  142.557   8.6721   56.845   6.3477   54.032   10.646   58.397   7.9070  139.245   14.149  145.869   10.031 -6.624527 17.34416 
1 1 1  -36    2   26 o   86.458   13.449   23.240   6.0408   16.671   10.062   26.941   7.5533   74.718   22.823   98.197   14.235 -23.47881 26.89809 
1 1 1  -36    2   27 o  105.718   13.646   39.822   6.5314   18.624   11.983   48.780   7.7901   78.466   25.047  132.969   10.842 -54.50332 27.29270 
1 1 1  -36    2   28 o  105.288   9.7168   31.108   5.4820   26.425   7.7012   35.918   7.8053   96.969   14.697  113.606   12.714 -16.63747 19.43361 
1 1 1  -36    2   29 o  102.230   11.510   29.973   5.9730   29.786   7.5196   30.293   9.8320  103.215   13.482  101.244   18.659 1.971184 23.02024 
1 1 1  -36    2   30 o  188.119   6.3960   97.273   6.4975   93.901   9.2300  100.586   9.1483  184.817   9.2421  191.421   8.8443 -6.604034 12.79206 
1 1 1  -36    2   31 o  143.226   7.4300   56.697   5.7470   58.796   8.3000   54.763   7.9653  145.760   10.538  140.691   10.477 5.068909 14.85996 
1 1 1  -36    2   32 o   94.956   10.355   25.682   5.1596   30.110   7.5716   21.843   7.0498  103.471   13.542   86.441   15.670 17.02995 20.71060 
1 1 1  -36    2   33 o   99.265   10.849   28.478   5.5107   37.700   8.0508   20.349   7.5589  115.943   12.850   82.588   17.483 33.35475 21.69713 
1 1 1  -36    2   34 o   51.158   13.657   6.0905   5.2279   3.9508   7.4472   8.1693   7.3407   47.336   19.027   54.981   19.595 -7.645557 27.31325 
1 1 1  -36    2   35 o  145.736   7.3863   58.968   5.8134   57.481   8.0558   60.585   8.3976  143.852   10.363  147.620   10.527 -3.767899 14.77252 
1 1 1  -36    2   36 f  164.033   7.0262   74.553   6.2218   71.908   8.5721   77.498   9.0449  160.999   9.8532  167.066   10.019 -6.066406 14.05234 
1 1 1  -36    2   37 o   49.387   13.175   4.3849   5.2718   10.763   7.5088  -1.8151   7.4033   60.065   19.875   38.708   17.300 21.35719 26.34999 
1 1 1  -36    2   38 o  104.171   10.389   31.155   5.8427   32.677   8.4820   29.781   8.0598  106.572   14.729  101.770   14.656 4.801872 20.77824 
1 1 1  -36    2   39 f  102.083   11.508   31.268   6.0451   24.800   8.7409   37.198   8.3693   89.947   18.598  114.219   13.560 -24.27245 23.01657 
1 1 1  -36    2   40 f   97.068   11.505   27.787   5.8502   33.306   8.6543   23.143   7.9388  107.110   14.953   87.025   17.489 20.08458 23.00942 
1 1 1  -36    2   41 o   56.822   14.056   8.2673   5.9405   15.572   8.3093   0.6309   8.4960   69.755   20.613   43.888   19.114 25.86642 28.11102 
1 1 1  -36    2   42 o   81.445   12.910   20.842   5.7630   27.662   8.1130   13.897   8.1877   96.965   15.484   65.926   20.663 31.03864 25.82035 
1 1 1  -36    2   43 o   49.134   13.934   4.2296   5.9781  -1.4442   8.3325   10.248   8.5816   40.440   18.192   57.828   21.110 -17.38839 27.86758 
1 1 1  -36    2   44 o   45.094   13.637   2.3279   5.9043   1.9419   8.4331   2.6990   8.2692   44.747   19.265   45.442   19.307 -0.6947441 27.27440 
1 1 1  -36    2   45 o  188.266   10.937  100.438   11.127  100.438   11.127   0.0000   0.0000  188.266   10.937  ?   ?       ?      ? 
1 1 1  -36    2   46 o   48.194   14.640   0.7642   7.6433   8.8370   9.6025 -13.1937   12.627   56.076   21.901   40.312   19.434 15.76417 29.27996 
1 1 1  -36    2   49 o   46.565   13.854   2.8726   6.4553   10.003   8.8604  -5.1933   9.4238   55.149   21.173   37.981   17.871 17.16749 27.70724 
1 1 1  -36    2   50 o   48.322   14.172   4.9081   6.4672   12.200   9.3296  -1.8367   8.9729   57.418   21.802   39.226   18.110 18.19274 28.34304 
1 1 1  -36    3    1 o  203.212   5.5219  112.175   6.0523  113.198   8.8505  111.277   8.2951  204.048   8.0269  202.376   7.5853 1.671967 11.04389 
1 1 1  -36    3    2 o   73.645   11.799   15.468   4.6069   19.215   6.7819   12.258   6.2776   82.027   15.874   65.263   17.459 16.76357 23.59713 
1 1 1  -36    3    3 o  164.541   6.0952   73.927   5.3961   70.318   7.8850   77.105   7.4005  160.687   9.0810  168.395   8.1329 -7.707901 12.19049 
1 1 1  -36    3    4 o  184.356   5.7542   91.812   5.7056   98.498   8.5870   86.526   7.6346  190.295   8.3508  178.417   7.9188 11.87877 11.50842 
1 1 1  -36    3    5 o   98.464   8.8861   26.702   4.6937   25.573   6.9840   27.633   6.3386   96.456   13.400  100.472   11.675 -4.016777 17.77226 
1 1 1  -36    3    6 o  210.595   5.5416  120.503   6.2972  121.185   9.1651  119.893   8.6669  211.128   8.0335  210.062   7.6353 1.065964 11.08310 
1 1 1  -36    3    7 o  270.296   5.3798  198.159   7.8321  202.633   11.608  194.419   10.611  273.040   7.8675  267.552   7.3397 5.487732 10.75963 
1 1 1  -36    3    8 f   46.749   12.297   3.4523   4.5896  -2.2645   6.6340   8.7006   6.3563   37.012   16.471   56.486   18.264 -19.47342 24.59422 
1 1 1  -36    3    9 o   61.216   11.513   9.2709   4.5892   19.476   6.7516   0.5068   6.2568   82.625   15.696   39.807   16.848 42.81751 23.02599 
1 1 1  -36    3   10 o  140.399   7.0049   53.511   5.2983   57.176   7.8764   50.481   7.1606  144.746   10.070  136.052   9.7399 8.694748 14.00972 
1 1 1  -36    3   11 o  278.933   5.4581  211.536   8.2218  209.261   11.797  213.685   11.465  277.442   7.8686  280.424   7.5663 -2.982758 10.91618 
1 1 1  -36    3   12 o   97.845   9.3198   26.309   4.9260   26.871   7.0776   25.781   6.8602   98.849   13.250   96.842   13.110 2.006874 18.63957 
1 1 1  -36    3   13 o  190.621   5.9390   99.438   6.0829   90.533   8.7946  107.605   8.4225  182.304   8.9275  198.938   7.8349 -16.63376 11.87799 
1 1 1  -36    3   14 o  195.086   5.8960  104.053   6.1790   91.792   8.7828  116.070   8.6947  183.563   8.8544  206.608   7.7879 -23.04431 11.79206 
1 1 1  -36    3   15 o  139.836   7.0150   53.321   5.2957   56.674   7.6377   50.216   7.3491  144.081   9.8099  135.591   10.030 8.489853 14.03003 
1 1 1  -36    3   16 o  119.041   9.5696   36.591   5.9563   28.598   7.4092   51.194   10.015  101.846   13.463  136.237   13.604 -34.39085 19.13919 
1 1 1  -36    3   17 o  122.959   10.496   41.943   6.9680   43.468   9.8009   40.383   9.9085  125.298   14.475  120.619   15.202 4.678871 20.99142 
1 1 1  -36    3   18 o   90.022   13.419   23.444   6.6676   10.775   9.1528   37.770   9.7328   63.532   21.940  116.512   15.459 -52.98001 26.83880 
1 1 1  -36    3   19 o   32.865   15.487  -7.4365   7.1266   0.0000   0.0000  -7.4365   7.1266  ?   ?    32.865   15.487      ?      ? 
1 1 1  -36    3   20 o   90.548   15.331   23.201   7.6628   36.712   11.808   13.372   10.072  112.054   20.246   69.042   23.027 43.01208 30.66187 
1 1 1  -36    3   21 o  139.978   11.071   55.565   8.2290   45.901   11.958   64.257   11.341  127.723   17.327  152.233   13.787 -24.51041 22.14259 
1 1 1  -36    3   22 o  134.264   8.1835   49.948   5.8098   63.232   8.3749   37.625   8.0664  151.866   10.205  116.662   12.796 35.20387 16.36702 
1 1 1  -36    3   23 o   48.341   13.866   2.8325   5.9040   6.7516   7.2844  -4.6712   10.079   53.053   19.437   43.629   19.782 9.424030 27.73298 
1 1 1  -36    3   24 o   90.879   11.584   23.648   5.5031   29.244   7.9494   18.499   7.6258  102.444   14.360   79.313   18.182 23.13033 23.16865 
1 1 1  -36    3   25 o  250.888   6.7717  172.416   8.6541  173.063   14.984  172.092   10.601  250.630   11.064  251.146   7.8115 -0.5164490 13.54337 
1 1 1  -36    3   26 o   69.336   12.022   13.978   5.1105   4.4127   7.4029   22.687   7.0637   48.666   19.163   90.006   14.523 -41.34035 24.04464 
1 1 1  -36    3   27 f  196.334   6.3433  105.503   6.6859  107.205   10.079  104.165   8.9350  197.593   9.4394  195.074   8.4763 2.518173 12.68661 
1 1 1  -36    3   28 o  196.832   8.1643  108.879   7.8591  103.378   14.406  111.210   9.3776  192.176   13.872  201.487   8.6131 -9.310608 16.32851 
1 1 1  -36    3   29 o  250.288   5.8698  171.426   7.9355  178.392   11.365  164.798   11.085  255.271   8.2389  245.304   8.3630 9.967102 11.73964 
1 1 1  -36    3   30 o  118.400   10.588   40.951   6.3095   43.808   7.8217   35.631   10.676  125.593   11.525  111.208   17.765 14.38531 21.17639 
1 1 1  -36    3   31 o   45.547   12.836   2.7014   5.0007   7.0703   7.0942  -1.6133   7.0500   52.686   19.200   38.408   17.042 14.27795 25.67187 
1 1 1  -36    3   32 o  117.534   8.4767   38.676   5.3603   36.167   7.7701   40.954   7.4042  113.675   12.650  121.393   11.287 -7.718018 16.95339 
1 1 1  -36    3   33 o   40.574   12.417  -0.4965   5.0916   2.4081   7.2861  -3.2687   7.1180   44.595   18.477   36.553   16.593 8.042377 24.83362 
1 1 1  -36    3   34 o   79.490   12.448   18.659   5.4247   11.665   7.4367   26.613   7.9304   62.492   19.708   96.487   15.210 -33.99545 24.89508 
1 1 1  -36    3   35 o   66.864   13.684   13.566   5.3733   17.533   7.6069   9.6145   7.5913   75.733   18.700   57.995   19.983 17.73751 27.36798 
1 1 1  -36    3   36 o   75.270   13.131   17.358   5.3705   21.288   7.6963   13.629   7.4978   83.939   17.533   66.602   19.552 17.33737 26.26202 
1 1 1  -36    3   37 o   61.480   13.378   10.944   5.5215   18.040   7.5457   2.7651   8.1008   76.570   18.454   46.391   19.373 30.17899 26.75552 
1 1 1  -36    3   38 o  104.620   10.125   31.433   5.7120   33.002   7.9818   29.787   8.1778  107.541   13.735  101.699   14.881 5.841919 20.25085 
1 1 1  -36    3   39 o   94.143   11.312   26.242   5.5076   33.571   7.9742   19.556   7.6160  108.441   13.608   79.844   18.073 28.59743 22.62357 
1 1 1  -36    3   40 o   61.538   13.214   10.017   5.8263   20.827   8.1862  -1.0803   8.2942   81.597   18.932   41.478   18.440 40.11882 26.42845 
1 1 1  -36    3   41 o   54.684   14.599   8.0221   5.8952   8.2536   8.1755   7.7713   8.5085   54.927   20.505   54.440   20.785 0.4875069 29.19734 
1 1 1  -36    3   42 o  103.353   11.681   32.771   6.0219   47.404   8.7471   19.587   8.3028  128.592   12.588   78.113   19.680 50.47917 23.36120 
1 1 1  -36    3   43 o   42.467   13.036  -1.7457   6.0001  -9.4419   8.3042   6.6611   8.6791   33.208   15.945   51.726   20.628 -18.51881 26.07203 
1 1 1  -36    3   44 o   59.967   14.762   11.160   6.0846   6.9699   8.8812   14.866   8.3530   52.721   20.916   67.214   20.838 -14.49305 29.52465 
1 1 1  -36    3   45 o  161.601   11.286   74.212   9.8550   0.0000   0.0000   74.212   9.8550  ?   ?   161.601   11.286      ?      ? 
1 1 1  -36    3   46 o   45.728   15.118  -6.2185   9.3159 -10.7387   12.881  -1.2608   13.490   41.955   20.069   49.501   22.614 -7.545673 30.23523 
1 1 1  -36    3   48 o   31.849   16.086 -35.1802   13.259   0.0000   0.0000 -35.1802   13.259  ?   ?    31.849   16.086      ?      ? 
1 1 1  -36    3   49 o   39.990   12.994  -3.1412   6.5813   2.7204   9.4301  -8.7071   9.1893   45.253   19.911   34.727   16.700 10.52547 25.98730 
1 1 1  -36    4    1 o  273.026   5.3592  202.637   7.8981  200.625   11.407  204.488   10.946  271.685   7.7699  274.367   7.3833 -2.682587 10.71846 
1 1 1  -36    4    2 o  270.370   5.3515  198.802   7.8050  195.243   11.316  202.030   10.779  268.011   7.8139  272.730   7.3141 -4.719574 10.70296 
1 1 1  -36    4    3 o  172.537   5.7943   80.503   5.3864   87.526   7.9918   74.656   7.2914  179.387   8.2445  165.687   8.1440 13.69945 11.58865 
1 1 1  -36    4    4 o   92.674   9.3751   23.531   4.6725   24.352   7.0042   22.873   6.2721   94.063   13.780   91.285   12.715 2.777969 18.75013 
1 1 1  -36    4    5 o  132.759   6.9623   47.993   4.9904   50.344   7.2337   45.858   6.8936  135.855   9.8536  129.663   9.8388 6.191895 13.92463 
1 1 1  -36    4    6 o   34.583   11.068  -3.5331   4.4970  -6.5723   6.8542  -1.2359   5.9588   32.925   15.412   36.242   15.889 -3.316460 22.13566 
1 1 1  -36    4    7 o  249.321   5.4269  168.912   7.2970  169.194   10.663  168.663   10.007  249.472   7.9098  249.171   7.4325 0.3019257 10.85388 
1 1 1  -36    4    8 o  208.207   5.5916  117.469   6.2644  121.878   9.3667  113.900   8.4260  211.684   8.1886  204.730   7.6165 6.954025 11.18321 
1 1 1  -36    4    9 o   35.840   11.321  -2.7189   4.5329  -4.9460   6.5202  -0.6357   6.3060   33.474   15.449   38.206   16.553 -4.732147 22.64230 
1 1 1  -36    4   10 o  114.120   7.8949   35.617   4.8675   36.410   6.9660   34.861   6.8043  115.358   11.175  112.881   11.155 2.477371 15.78977 
1 1 1  -36    4   11 o  156.956   6.6790   67.822   5.6061   60.859   8.2561   73.779   7.6365  149.284   10.235  164.628   8.5843 -15.34366 13.35809 
1 1 1  -36    4   12 o  207.651   5.6805  117.376   6.3670  114.915   9.1623  119.673   8.8542  205.507   8.2507  209.795   7.8103 -4.287933 11.36108 
1 1 1  -36    4   13 o   68.235   13.038   13.300   4.9925   16.911   7.2693   10.076   6.8685   76.360   17.925   60.111   18.939 16.24940 26.07600 
1 1 1  -36    4   14 f  154.099   6.6996   64.904   5.5437   63.703   8.2750   65.881   7.4671  152.714   10.028  155.484   8.8875 -2.770142 13.39929 
1 1 1  -36    4   15 o  114.211   9.7476   35.848   5.8997   35.232   7.6053   36.779   9.3490  113.208   12.432  115.213   15.017 -2.005005 19.49515 
1 1 1  -36    4   16 o  131.702   10.035   47.969   7.0035   61.036   10.230   36.441   9.6082  148.886   12.716  114.517   15.527 34.36945 20.06908 
1 1 1  -36    4   17 o  119.229   11.240   39.852   7.1934   36.396   10.463   42.950   9.9061  114.041   16.978  124.416   14.735 -10.37502 22.48037 
1 1 1  -36    4   18 o   39.210   12.485  -3.0588   5.4175  -4.3423   8.8767  -2.2970   6.8388   40.980   18.574   37.439   16.688 3.541370 24.96962 
1 1 1  -36    4   19 o  151.365   9.4850   57.640   6.9997   77.275   13.901   50.970   8.1018  166.479   15.452  136.250   11.004 30.22867 18.97007 
1 1 1  -36    4   20 o  330.627   8.3378  300.431   14.837  306.982   22.087  295.045   20.028  333.659   12.250  327.594   11.314 6.065216 16.67552 
1 1 1  -36    4   21 o   95.319   14.774   23.968   8.3682   49.392   13.088   6.3874   10.884  132.125   18.331   58.512   23.173 73.61305 29.54702 
1 1 1  -36    4   22 o   95.701   13.052   26.529   6.3292   26.854   7.8998   25.946   10.577   98.135   14.897   93.268   21.435 4.866920 26.10371 
1 1 1  -36    4   23 o   37.281   11.927  -3.8958   5.2040  -6.4410   7.3071  -1.2763   7.4131   34.263   15.997   40.299   17.694 -6.036037 23.85309 
1 1 1  -36    4   24 o  126.973   10.431   48.762   6.4819   34.099   10.691   57.284   8.1506  109.570   18.057  144.376   10.447 -34.80641 20.86177 
1 1 1  -36    4   25 o  215.795   6.0094  127.376   7.0053  124.065   9.9244  130.664   9.8897  212.961   8.6241  218.629   8.3712 -5.668167 12.01883 
1 1 1  -36    4   26 o   89.525   11.707   23.457   5.4278   33.020   7.8452   14.675   7.5176  108.830   13.340   70.220   19.242 38.61012 23.41376 
1 1 1  -36    4   27 o  238.912   5.8852  155.848   7.5876  162.948   11.088  149.595   10.405  243.986   8.4100  233.838   8.2349 10.14795 11.77039 
1 1 1  -36    4   28 o  105.288   10.257   30.906   5.7844   37.107   8.5604   25.696   7.8468  115.134   13.760   95.442   15.215 19.69234 20.51374 
1 1 1  -36    4   29 f   58.243   15.490   8.3018   6.2329   6.9685   11.770   8.8215   7.3478   59.688   23.945   56.798   19.655 2.889912 30.97914 
1 1 1  -36    4   30 o  145.795   8.8423   59.103   6.6776   58.420   8.3211   60.338   11.192  145.290   10.599  146.300   14.157 -1.010483 17.68455 
1 1 1  -36    4   31 f  121.119   10.053   42.545   6.3000   46.324   8.0877   36.712   10.047  129.022   11.600  113.216   16.422 15.80591 20.10627 
1 1 1  -36    4   32 o   45.874   13.219   3.0995   5.1451   3.9483   7.6432   2.3961   6.9576   47.890   19.267   43.858   18.104 4.032169 26.43778 
1 1 1  -36    4   33 o   55.795   13.991   8.4766   5.2915   7.7564   7.7339   9.1105   7.2556   54.690   20.029   56.901   19.540 -2.210804 27.98182 
1 1 1  -36    4   34 o  162.816   7.2304   73.442   6.3568   76.853   9.1921   70.316   8.8004  166.436   10.221  159.197   10.230 7.238937 14.46090 
1 1 1  -36    4   35 o   67.913   14.013   14.112   5.4756   15.840   7.9069   12.521   7.5902   71.618   19.779   64.207   19.857 7.411057 28.02657 
1 1 1  -36    4   36 o   55.649   14.280   8.1420   5.6665   5.0248   7.9777   11.316   8.0501   49.736   19.795   61.561   20.587 -11.82454 28.55956 
1 1 1  -36    4   37 o   50.819   14.034   5.7281   5.5744   7.0847   8.1973   4.5610   7.6029   53.451   20.403   48.188   19.276 5.262459 28.06857 
1 1 1  -36    4   38 o  108.625   9.8416   33.821   5.7431   37.772   8.1172   29.861   8.1266  115.368   13.021  101.883   14.761 13.48485 19.68325 
1 1 1  -36    4   39 o   71.625   13.681   16.043   5.4972   19.353   7.7855   12.753   7.7630   79.073   18.542   64.178   20.120 14.89583 27.36125 
1 1 1  -36    4   40 o   41.220   12.846  -0.8724   5.6900   2.1554   7.6945  -4.5262   8.4527   44.237   18.700   38.204   17.617 6.032707 25.69186 
1 1 1  -36    4   41 o  112.649   10.479   37.649   6.2285   43.628   8.5011   30.720   9.1517  123.562   12.732  101.737   16.647 21.82558 20.95787 
1 1 1  -36    4   42 o  110.058   10.647   35.772   6.3316   36.368   8.9988   35.187   8.9103  111.001   15.003  109.116   15.112 1.884613 21.29432 
1 1 1  -36    4   43 o   38.788   12.541  -3.8436   6.0167  -8.2799   8.5547   0.4991   8.4639   34.698   16.530   42.878   18.864 -8.179855 25.08232 
1 1 1  -36    4   44 o   37.779   12.433  -6.0605   6.2851  -1.7441   8.7369 -10.6901   9.0483   41.196   18.572   34.362   16.537 6.834049 24.86692 
1 1 1  -36    4   45 o   48.144   13.577  -1.4126   6.6374 -16.4892   9.4151   13.483   9.3586   31.827   15.653   64.460   22.189 -32.63271 27.15470 
1 1 1  -36    4   46 f   46.245   15.079  -7.1387   9.2194   7.2140   13.443 -19.8851   12.668   56.099   24.237   36.391   17.948 19.70814 30.15870 
1 1 1  -36    4   48 o   63.032   16.316   6.5703   10.012 -22.7252   14.960   30.338   13.475   38.874   19.234   87.191   26.362 -48.31721 32.63240 
1 1 1  -36    4   49 o   56.270   15.411   10.914   6.8409   14.511   9.5790   7.1703   9.7728   61.875   22.346   50.665   21.228 11.21045 30.82177 
1 1 1  -36    5    1 o  240.285   5.4323  155.600   7.0040  167.889   10.691  146.359   9.2709  248.472   7.9622  232.098   7.3920 16.37468 10.86455 
1 1 1  -36    5    2 o  330.130   5.5611  296.327   9.8960  296.134   14.509  296.494   13.532  329.957   8.1376  330.303   7.5816 -0.3461304 11.12215 
1 1 1  -36    5    3 o  225.492   5.4218  138.484   6.5874  133.741   9.5870  142.727   9.0667  221.768   8.0001  229.217   7.3201 -7.449066 10.84365 
1 1 1  -36    5    4 o  116.802   7.6705   37.889   4.7608   32.684   7.0708   42.205   6.4391  109.196   11.983  124.407   9.5783 -15.21132 15.34091 
1 1 1  -36    5    5 o  234.085   5.4602  149.422   6.8811  141.761   10.006  156.297   9.4784  228.301   8.1106  239.868   7.3126 -11.56760 10.92044 
1 1 1  -36    5    6 o   65.642   12.209   11.845   4.5154   17.616   6.8706   7.4579   5.9909   78.231   16.758   53.054   17.760 25.17684 24.41767 
1 1 1  -36    5    7 o  186.742   5.9391   95.587   5.9445   87.788   8.7487  102.275   8.1020  179.513   9.0190  193.972   7.7298 -14.45830 11.87819 
1 1 1  -36    5    8 o   97.916   9.8364   27.531   4.9089   21.640   7.3030   32.386   6.6300   87.056   16.118  108.776   11.280 -21.72042 19.67283 
1 1 1  -36    5    9 o  121.471   7.6637   39.847   4.9980   45.218   7.6034   35.761   6.6322  128.575   10.944  114.368   10.732 14.20644 15.32740 
1 1 1  -36    5   10 o  106.447   8.8200   31.598   4.9892   27.276   7.4073   35.186   6.7499   99.492   13.778  113.401   11.015 -13.90859 17.63992 
1 1 1  -36    5   11 o  183.113   8.4215   91.276   8.3329   0.0000   0.0000   91.276   8.3329  ?   ?   183.113   8.4215      ?      ? 
1 1 1  -36    5   12 o   65.132   12.968   12.064   4.7894   14.647   7.0267   9.8222   6.5452   71.028   18.219   59.236   18.459 11.79162 25.93616 
1 1 1  -36    5   13 f   76.051   12.674   17.182   5.1695   12.927   7.7066   20.663   6.9703   67.076   19.859   85.026   15.751 -17.95008 25.34705 
1 1 1  -36    5   14 o  109.017   10.798   32.591   6.2713   30.805   8.1235   35.225   9.8664  105.550   14.243  112.484   16.232 -6.934608 21.59503 
1 1 1  -36    5   15 o  182.453   8.7416   90.887   8.5850  101.194   12.808   82.477   11.569  191.775   12.359  173.132   12.366 18.64235 17.48316 
1 1 1  -36    5   16 o   56.727   15.204   5.8752   6.8582  -0.9982   10.023   11.926   9.4042   47.514   20.725   65.940   22.250 -18.42572 30.40740 
1 1 1  -36    5   17 o  227.514   6.8161  140.535   7.9673  144.820   13.647  138.320   9.8134  229.716   10.994  225.311   8.0602 4.405167 13.63214 
1 1 1  -36    5   18 o  141.568   10.144   54.896   7.7598   0.0000   0.0000   54.896   7.7598  ?   ?   141.568   10.144      ?      ? 
1 1 1  -36    5   19 o  228.942   7.5925  141.752   8.4368  148.694   16.087  139.118   9.9088  231.988   12.833  225.896   8.1175 6.091553 15.18506 
1 1 1  -36    5   20 o  132.767   12.397   49.075   8.7945   53.671   13.703   45.856   11.468  137.705   18.415  127.829   16.603 9.875877 24.79403 
1 1 1  -36    5   21 o  101.789   24.091   31.396   13.045   31.396   13.045   0.0000   0.0000  101.789   24.091  ?   ?       ?      ? 
1 1 1  -36    5   22 o  313.470   7.0447  264.788   11.300  255.458   13.799  283.784   19.689  305.909   8.3478  321.030   11.350 -15.12045 14.08932 
1 1 1  -36    5   23 o   57.052   14.520   8.3110   5.7788   4.4392   9.6391   10.483   7.2202   53.307   21.569   60.798   19.445 -7.490948 29.04083 
1 1 1  -36    5   24 o  245.782   5.9450  165.566   7.8666  158.877   11.485  171.478   10.797  240.949   8.8210  250.614   7.9727 -9.664886 11.89009 
1 1 1  -36    5   25 o  171.193   6.6400   80.541   6.1215   78.743   8.9771   82.103   8.3691  169.285   9.8136  173.102   8.9472 -3.817657 13.28008 
1 1 1  -36    5   26 o  118.254   8.7429   38.835   5.5655   38.978   8.2402   38.714   7.5469  118.314   12.889  118.193   11.816 0.1204758 17.48573 
1 1 1  -36    5   27 o  106.923   10.487   33.462   5.6456   23.345   8.0802   43.112   7.8913   89.126   17.402  124.721   11.709 -35.59484 20.97450 
1 1 1  -36    5   28 o  143.428   7.6785   56.911   5.9270   56.401   8.7602   57.341   8.0490  142.681   11.362  144.175   10.331 -1.494034 15.35697 
1 1 1  -36    5   29 o  146.603   9.9345   58.375   7.1477   65.698   13.559   55.556   8.4113  151.607   16.551  141.598   10.993 10.00912 19.86900 
1 1 1  -36    5   30 o  174.834   8.6281   83.263   7.5459   90.811   13.764   80.019   9.0228  179.375   14.200  170.292   9.8052 9.082275 17.25621 
1 1 1  -36    5   31 o  121.139   10.966   41.084   6.8832   39.351   8.5269   44.324   11.662  118.345   13.334  123.934   17.413 -5.589027 21.93195 
1 1 1  -36    5   32 o   50.989   14.750   4.2367   6.3698   5.6099   7.9726   1.8128   10.592   51.228   19.970   50.750   21.713 0.4786453 29.50020 
1 1 1  -36    5   33 o  148.709   7.8234   61.542   6.2836   64.287   8.9936   58.924   8.7828  151.992   10.950  145.426   11.176 6.565613 15.64674 
1 1 1  -36    5   34 o   62.109   13.132   11.030   5.3075   3.5208   7.5928   18.204   7.4220   46.777   19.064   77.441   18.067 -30.66358 26.26486 
1 1 1  -36    5   35 o   72.945   13.692   16.661   5.5769   12.985   8.2555   19.747   7.5638   65.226   20.786   80.664   17.827 -15.43823 27.38355 
1 1 1  -36    5   36 o   46.259   13.248   3.3725   5.3054  -0.2532   7.9345   6.3042   7.1349   41.957   18.367   50.561   19.098 -8.603630 26.49666 
1 1 1  -36    5   37 o   55.479   14.147   8.4485   5.5112   6.0356   8.1440   10.487   7.4854   51.568   20.161   59.390   19.852 -7.822769 28.29425 
1 1 1  -36    5   38 o   41.973   12.844   0.1879   5.4017   2.4089   7.7254  -1.9366   7.5558   45.034   18.871   38.912   17.428 6.121719 25.68790 
1 1 1  -36    5   39 o  109.498   9.7302   34.433   5.7539   36.022   8.2094   32.899   8.0671  112.076   13.555  106.919   13.963 5.157524 19.46036 
1 1 1  -36    5   40 o   56.123   13.875   6.7443   6.0516  -2.6567   8.4056   16.861   8.7195   39.932   18.089   72.315   21.043 -32.38289 27.74955 
1 1 1  -36    5   41 o   77.004   13.990   19.389   6.3118   27.865   8.7276   10.094   9.1391   95.174   17.619   58.833   21.736 36.34055 27.98018 
1 1 1  -36    5   42 o   43.274   13.360  -0.7456   6.1191  -6.1338   8.3306   5.5678   9.0176   35.919   16.869   50.629   20.721 -14.71049 26.71939 
1 1 1  -36    5   43 o   32.337   11.091 -11.7632   6.0275 -10.2619   8.7193 -13.1373   8.3415   33.749   16.239   30.925   15.110 2.823643 22.18188 
1 1 1  -36    5   44 f  145.294   9.3908   61.102   7.1516   81.075   10.489   43.751   9.7763  168.715   11.505  121.872   14.845 46.84258 18.78159 
1 1 1  -36    5   45 o   49.749   15.663  -2.5612   9.1626 -14.8964   13.276   8.6599   12.662   40.703   19.697   58.795   24.358 -18.09136 31.32543 
1 1 1  -36    5   47 o   69.364   26.351   19.556   13.632   0.0000   0.0000   19.556   13.632  ?   ?    69.364   26.351      ?      ? 
1 1 1  -36    5   48 o   75.698   18.012   23.107   9.6720   11.412   14.334   32.883   13.105   59.827   25.419   91.569   25.528 -31.74164 36.02496 
1 1 1  -36    5   49 o   51.959   14.550   7.0386   6.7026   15.656   9.5148  -1.4506   9.4434   63.457   22.342   40.461   18.645 22.99635 29.09977 
1 1 1  -36    6    1 f   88.067   10.473   22.352   4.7196   18.752   7.2253   25.032   6.2332   80.624   17.114   95.511   12.077 -14.88785 20.94630 
1 1 1  -36    6    2 f  183.937   5.9111   91.865   5.8035   93.507   8.9681   90.681   7.6122  185.247   8.9590  182.626   7.7137 2.621063 11.82222 
1 1 1  -36    6    3 o   56.658   12.844   8.8183   4.4354   8.7952   6.6611   8.8367   5.9451   56.960   18.714   56.356   17.598 0.6039772 25.68806 
1 1 1  -36    6    4 o   72.849   11.925   15.748   4.6159   12.078   7.0229   18.539   6.1245   64.922   18.884   80.776   14.567 -15.85358 23.84965 
1 1 1  -36    6    5 o  182.834   5.9567   90.805   5.8639   93.138   8.7148   88.875   7.9268  184.926   8.7211  180.741   8.1162 4.185257 11.91346 
1 1 1  -36    6    6 f   83.622   11.081   19.434   4.8610   25.218   7.3072   14.842   6.5105   95.605   14.144   71.639   17.062 23.96554 22.16273 
1 1 1  -36    6    7 o  136.285   7.3355   50.716   5.3438   51.041   8.1898   50.475   7.0517  136.553   11.099  136.016   9.5944 0.5369263 14.67108 
1 1 1  -36    6    8 o  109.771   8.6109   33.052   5.0327   33.209   7.8190   32.942   6.5759  109.847   13.173  109.696   11.094 0.1504059 17.22186 
1 1 1  -36    6    9 o  170.871   6.2819   79.219   5.7550   82.227   8.7682   76.943   7.6280  173.630   9.3455  168.112   8.3970 5.518005 12.56373 
1 1 1  -36    6   10 o   72.213   11.662   15.758   4.9222   5.1963   7.3748   24.242   6.6100   50.580   19.341   93.845   13.035 -43.26463 23.32367 
1 1 1  -36    6   11 o  126.512   7.9588   43.938   5.4065   43.152   8.0713   44.578   7.2813  125.376   11.914  127.648   10.556 -2.272141 15.91752 
1 1 1  -36    6   12 o   82.240   11.858   19.642   5.0510   18.327   7.6500   20.658   6.7253   79.352   18.225   85.128   15.177 -5.776512 23.71665 
1 1 1  -36    6   13 o  101.666   11.847   29.955   6.1784   33.448   8.2056   25.383   9.3887  110.012   13.803   93.319   19.257 16.69287 23.69335 
1 1 1  -36    6   14 o  202.520   7.8929  112.520   8.6216  103.626   12.065  121.802   12.325  194.249   11.494  210.791   10.821 -16.54170 15.78583 
1 1 1  -36    6   15 o  168.600   8.5220   78.400   7.7471   74.234   11.110   82.342   10.808  164.107   12.529  173.093   11.556 -8.986191 17.04395 
1 1 1  -36    6   16 o   42.397   12.809  -0.1745   5.3739  -6.3626   8.8874   3.3919   6.7470   39.034   18.023   45.760   18.206 -6.725380 25.61812 
1 1 1  -36    6   17 o  146.004   7.4427   59.068   5.7908   54.020   8.7134   63.061   7.7498  140.148   11.506  151.860   9.4441 -11.71173 14.88530 
1 1 1  -36    6   18 f  117.587   8.6433   37.501   5.4360   45.899   8.2548   31.070   7.2234  129.095   11.833  106.079   12.601 23.01579 17.28658 
1 1 1  -36    6   19 o  198.466   8.4214  106.814   7.8624  112.140   15.735  105.042   9.0768  200.769   14.504  196.163   8.5631 4.605911 16.84283 
1 1 1  -36    6   20 o  153.094   17.896   66.261   14.805   66.261   14.805   0.0000   0.0000  153.094   17.896  ?   ?       ?      ? 
1 1 1  -36    6   21 o  150.634   18.433   64.414   15.004   64.414   15.004   0.0000   0.0000  150.634   18.433  ?   ?       ?      ? 
1 1 1  -36    6   22 o   49.202   13.046  -4.0979   5.7340   14.662   9.5076 -14.8223   7.1885   70.830   22.276   27.574   13.584 43.25618 26.09144 
1 1 1  -36    6   23 f  163.963   8.1938   76.922   6.8147   65.608   11.332   83.332   8.5295  153.481   13.663  174.446   9.0485 -20.96472 16.38765 
1 1 1  -36    6   24 f  124.050   8.7264   43.472   5.7339   35.737   8.4039   50.209   7.8430  113.145   13.745  134.956   10.755 -21.81101 17.45288 
1 1 1  -36    6   25 o   56.237   13.757   8.1990   5.3586   3.5867   7.9104   12.110   7.2846   48.253   19.535   64.221   19.375 -15.96722 27.51332 
1 1 1  -36    6   26 o  111.036   9.2541   34.684   5.4925   31.614   8.1433   37.246   7.4394  106.184   14.192  115.889   11.880 -9.704941 18.50825 
1 1 1  -36    6   27 o  102.812   9.9861   29.546   5.5363   32.074   8.1259   27.356   7.5632  106.915   14.065   98.709   14.180 8.206223 19.97229 
1 1 1  -36    6   28 o  132.943   8.2502   49.250   5.8993   47.328   8.6616   50.913   8.0571  130.311   12.301  135.574   10.998 -5.262436 16.50031 
1 1 1  -36    6   29 o  158.029   7.4564   69.249   6.3371   67.691   9.3660   70.564   8.6061  156.184   11.098  159.874   9.9618 -3.690460 14.91288 
1 1 1  -36    6   30 o  171.478   9.7036   89.606   7.7739   67.680   14.218   98.955   9.2846  153.308   17.163  189.647   9.0600 -36.33839 19.40717 
1 1 1  -36    6   31 o  176.621   8.4918   81.996   7.2555   98.851   14.314   76.168   8.4169  187.010   14.165  166.232   9.3702 20.77725 16.98352 
1 1 1  -36    6   32 o   78.442   14.744   19.597   6.4111   22.441   8.2227   15.187   10.239   86.343   18.198   70.541   23.202 15.80130 29.48713 
1 1 1  -36    6   33 o   57.196   14.837   8.7283   6.1394   11.324   7.7209   4.2658   10.124   61.751   20.141   52.642   21.793 9.108440 29.67438 
1 1 1  -36    6   34 o  151.914   7.6459   63.811   6.2466   72.998   9.2866   56.220   8.4418  161.903   10.615  141.924   11.008 19.97852 15.29187 
1 1 1  -36    6   35 o   50.102   13.410   4.9096   5.2574   10.407   7.7593   0.2436   7.1483   59.499   20.210   40.704   17.630 18.79464 26.81909 
1 1 1  -36    6   36 o   45.550   13.234   2.4767   5.4808  -2.4250   8.2253   6.3911   7.3504   40.098   18.053   51.003   19.356 -10.90546 26.46812 
1 1 1  -36    6   37 o   43.585   13.220   0.8719   5.5824   2.8301   8.2447  -0.7857   7.5857   46.765   19.538   40.405   17.814 6.360180 26.44026 
1 1 1  -36    6   38 o   99.392   11.019   28.751   5.9107   28.598   8.5541   28.891   8.1767   98.947   15.999   99.837   15.157 -0.8904190 22.03822 
1 1 1  -36    6   39 o   62.571   14.038   11.845   5.8178   4.9326   8.5007   17.935   7.9793   49.862   20.228   75.280   19.470 -25.41885 28.07534 
1 1 1  -36    6   40 o  104.630   11.793   33.798   6.2077   22.845   8.8804   44.264   8.6810   84.890   19.734  124.370   12.917 -39.48009 23.58547 
1 1 1  -36    6   41 o  104.179   11.533   32.932   6.2673   37.919   8.8548   27.927   8.8718  113.784   14.402   94.574   18.018 19.21018 23.06631 
1 1 1  -36    6   42 o   60.935   14.709   10.504   6.5196   1.9109   9.0706   19.688   9.3774   45.738   19.835   76.132   21.725 -30.39424 29.41747 
1 1 1  -36    6   43 o   31.453   15.522 -17.6766   9.5262   0.0000   0.0000 -17.6766   9.5262  ?   ?    31.453   15.522      ?      ? 
1 1 1  -36    6   44 o  113.571   18.116   39.517   11.118   0.0000   0.0000   39.517   11.118  ?   ?   113.571   18.116      ?      ? 
1 1 1  -36    6   45 o   59.361   17.434   9.5708   9.1359   7.0631   12.101   12.894   13.931   55.338   23.426   63.383   25.826 -8.045513 34.86770 
1 1 1  -36    6   46 o   44.987   21.646  -8.5608   15.485   0.0000   0.0000  -8.5608   15.485  ?   ?    44.987   21.646      ?      ? 
1 1 1  -36    6   47 o   41.056   14.140 -14.4581   9.8517 -14.4459   15.546 -14.4662   12.736   43.296   21.037   38.816   18.901 4.480331 28.28035 
1 1 1  -36    6   48 o   35.678   12.350 -13.3763   7.7674 -11.8199   9.8539 -15.9302   12.623   34.149   16.628   37.206   18.264 -3.057457 24.69901 
1 1 1  -36    7    1 o   57.684   12.749   8.3316   4.5824   14.048   7.1166   4.2828   5.9893   69.514   18.586   45.853   17.455 23.66093 25.49757 
1 1 1  -36    7    2 o  196.661   5.7907  104.127   6.0983  113.772   9.4134   97.151   8.0052  204.359   8.5244  188.963   7.8399 15.39622 11.58142 
1 1 1  -36    7    3 o  120.380   7.9440   39.328   5.1380   43.384   7.7919   36.208   6.8344  125.783   11.464  114.977   11.000 10.80613 15.88799 
1 1 1  -36    7    4 o  211.482   5.6834  121.254   6.4496  125.566   9.7841  117.941   8.5769  214.717   8.4327  208.248   7.6219 6.469284 11.36674 
1 1 1  -36    7    5 o  134.158   7.2674   49.747   5.2035   44.717   7.7334   53.907   7.0340  127.745   11.203  140.571   9.2601 -12.82629 14.53481 
1 1 1  -36    7    6 o  242.928   5.6195  160.786   7.3085  159.116   11.085  162.071   9.7205  241.689   8.4876  244.168   7.3674 -2.478119 11.23908 
1 1 1  -36    7    7 o  134.421   7.4528   49.415   5.3940   49.748   7.9844   49.136   7.3160  134.768   10.964  134.075   10.098 0.6934052 14.90562 
1 1 1  -36    7    8 o  285.697   5.6391  221.481   8.6472  227.853   13.085  216.540   11.522  289.227   8.3720  282.166   7.5568 7.060181 11.27812 
1 1 1  -36    7    9 o  117.747   8.4556   38.105   5.3388   37.975   8.0525   38.207   7.1315  117.444   12.689  118.049   11.180 -0.6059189 16.91116 
1 1 1  -36    7   10 o  185.800   6.1458   94.009   6.1373   95.199   9.1918   93.052   8.2441  186.778   9.1073  184.823   8.2547 1.954758 12.29155 
1 1 1  -36    7   11 o  124.229   8.0968   42.381   5.4015   42.301   8.0956   42.444   7.2516  124.012   12.081  124.445   10.784 -0.4337692 16.19361 
1 1 1  -36    7   12 o   66.666   15.427   12.399   6.4404   10.550   9.1029   14.252   9.1132   63.025   21.873   70.308   21.760 -7.282570 30.85367 
1 1 1  -36    7   13 o   41.419   13.261  -4.6618   6.4244  -2.0212   9.1619  -7.2162   9.0110   44.217   19.532   38.621   17.942 5.595581 26.52207 
1 1 1  -36    7   14 o  124.059   10.057   42.876   6.7062   40.473   9.8182   44.977   9.1818  120.588   15.067  127.529   13.324 -6.940987 20.11347 
1 1 1  -36    7   15 o   63.774   13.595   10.988   5.1821   16.308   7.9653   7.0841   6.8237   74.436   19.551   53.112   18.897 21.32402 27.19046 
1 1 1  -36    7   16 o  114.024   8.5751   35.476   5.2508   39.121   7.9878   32.702   6.9677  119.075   12.414  108.973   11.833 10.10229 17.15012 
1 1 1  -36    7   17 o  110.526   9.1309   34.627   5.3083   27.578   7.8538   40.554   7.2026   99.556   14.599  121.495   10.971 -21.93910 18.26173 
1 1 1  -36    7   18 o   59.296   12.451   8.7848   5.1590  -1.0988   7.4991   17.666   7.1085   40.811   17.860   77.782   17.353 -36.97163 24.90260 
1 1 1  -36    7   19 o   54.102   16.099  -2.8576   8.5272   11.034   13.332 -12.4752   11.093   68.333   26.035   39.870   18.946 28.46313 32.19876 
1 1 1  -36    7   20 o   59.785   24.995   4.0631   13.508   4.0631   13.508   0.0000   0.0000   59.785   24.995  ?   ?       ?      ? 
1 1 1  -36    7   21 o   32.286   15.998 -23.3108   10.495   0.0000   0.0000 -23.3108   10.495  ?   ?    32.286   15.998      ?      ? 
1 1 1  -36    7   22 o  149.802   8.4729   62.146   6.5284   61.892   11.049   62.282   8.0921  149.019   13.721  150.585   9.9447 -1.565887 16.94577 
1 1 1  -36    7   23 o  143.744   7.6041   57.334   5.8405   54.197   8.7977   59.806   7.8096  139.960   11.633  147.528   9.7965 -7.568085 15.20819 
1 1 1  -36    7   24 f   85.324   12.214   21.259   5.4284   23.760   8.0165   19.141   7.3771   90.099   17.091   80.548   17.453 9.550926 24.42747 
1 1 1  -36    7   25 o   40.556   12.399  -1.3153   5.2529  -6.7905   7.7987   3.2317   7.1069   35.226   16.473   45.885   18.537 -10.65857 24.79864 
1 1 1  -36    7   26 o   98.400   10.770   28.161   5.4692   23.979   8.1317   31.614   7.3906   90.326   17.290  106.473   12.846 -16.14752 21.53952 
1 1 1  -36    7   27 o   89.026   12.116   23.293   5.6056   24.347   8.2503   22.389   7.6400   90.810   17.447   87.242   16.816 3.568634 24.23165 
1 1 1  -36    7   28 o  112.187   9.7023   35.879   5.7865   29.625   8.3538   41.647   8.0229  102.181   15.130  122.193   12.151 -20.01208 19.40469 
1 1 1  -36    7   29 o   42.927   12.515   0.3923   5.2179  -7.4436   7.9361   6.3590   6.9252   34.866   16.404   50.987   18.904 -16.12111 25.02908 
1 1 1  -36    7   30 f   38.146   12.039  -4.2506   5.4637 -12.3107   8.1978   2.1911   7.3288   31.889   15.443   44.402   18.474 -12.51256 24.07885 
1 1 1  -36    7   31 o  146.425   10.436   59.437   7.3329   64.459   14.278   57.638   8.5462  148.882   17.747  143.967   10.986 4.914780 20.87185 
1 1 1  -36    7   32 o   50.786   14.950   3.7536   6.6679  -3.6486   12.738   6.5474   7.8257   49.162   22.269   52.409   19.952 -3.246365 29.89990 
1 1 1  -36    7   33 o   40.890   13.023  -3.1994   6.2005   0.6918   7.9732  -9.1532   9.8626   43.453   18.720   38.328   18.109 5.125542 26.04587 
1 1 1  -36    7   34 o   50.224   14.594   4.1795   6.2127   4.1039   7.8762   4.3041   10.108   48.087   19.483   52.361   21.734 -4.274670 29.18834 
1 1 1  -36    7   35 f  112.083   9.9890   35.779   6.0092   37.486   9.1166   34.468   7.9908  114.137   14.782  110.029   13.440 4.107788 19.97803 
1 1 1  -36    7   36 o   55.261   13.333   6.7085   5.4963   15.652   7.9888  -1.3297   7.5737   70.814   19.998   39.708   17.639 31.10547 26.66565 
1 1 1  -36    7   37 o   39.962   12.604  -2.2956   5.6952  -7.0783   8.5572   1.5073   7.6305   36.434   17.107   43.490   18.514 -7.055878 25.20724 
1 1 1  -36    7   38 o   48.808   13.850   3.4438   5.8926  -2.0055   8.1454   9.4267   8.5349   40.076   18.012   57.540   21.045 -17.46377 27.70085 
1 1 1  -36    7   39 o  117.604   10.140   39.897   6.4171   45.197   9.3758   35.226   8.8017  125.181   13.861  110.026   14.804 15.15527 20.27989 
1 1 1  -36    7   40 o   50.076   14.198   5.3563   5.8662   7.0814   8.5061   3.7916   8.1010   52.979   20.634   47.173   19.508 5.805264 28.39627 
1 1 1  -36    7   41 o   97.110   12.354   29.101   6.3235   33.119   9.2288   25.544   8.6819  104.715   16.310   89.504   18.560 15.21163 24.70785 
1 1 1  -36    7   42 o   65.628   15.171   14.120   6.3067   10.890   8.9368   17.324   8.9013   59.297   21.558   71.958   21.352 -12.66061 30.34233 
1 1 1  -36    7   43 o  143.355   9.3379   59.281   7.2128   65.800   10.502   53.461   9.9232  151.032   12.868  135.679   13.535 15.35229 18.67582 
1 1 1  -36    7   44 o   75.361   18.901   20.735   9.6654   19.412   13.797   22.009   13.544   73.373   26.770   77.349   26.690 -3.976891 37.80177 
1 1 1  -36    7   45 o   74.178   17.388   20.332   9.2733   6.6982   12.709   35.856   13.561   53.499   23.337   94.856   25.782 -41.35689 34.77534 
1 1 1  -36    7   46 o   38.320   18.809 -17.1892   13.381   0.0000   0.0000 -17.1892   13.381  ?   ?    38.320   18.809      ?      ? 
1 1 1  -36    7   47 o   47.776   15.709  -3.0185   9.6382   3.6757   14.961  -7.7680   12.602   53.365   24.157   42.187   20.089 11.17755 31.41854 
1 1 1  -36    7   48 o   46.810   13.953   2.0880   6.7966  -8.5676   9.6425   12.609   9.5814   35.394   17.043   58.226   22.098 -22.83194 27.90683 
1 1 1  -36    8    1 o   64.374   12.433   12.350   4.7622   5.9092   7.2978   17.127   6.2846   51.613   19.353   77.136   15.613 -25.52397 24.86567 
1 1 1  -36    8    2 o   48.195   13.032   4.7499   4.6922   4.4341   7.2850   4.9738   6.1340   48.870   19.079   47.519   17.757 1.350777 26.06376 
1 1 1  -36    8    3 o  324.229   5.6814  286.718   9.9213  281.217   14.555  291.493   13.560  321.204   8.3855  327.254   7.6680 -6.050293 11.36290 
1 1 1  -36    8    4 o   52.245   13.505   6.4533   4.9180   6.3679   7.6692   6.5129   6.4094   53.167   19.858   51.322   18.308 1.844872 27.00978 
1 1 1  -36    8    5 o  181.468   6.2384   87.549   6.0064  101.904   9.6759   78.550   7.6612  193.169   9.2697  169.766   8.3513 23.40291 12.47689 
1 1 1  -36    8    6 o  239.280   5.6660  155.121   7.2749  162.660   11.062  149.374   9.6574  244.287   8.3797  234.273   7.6287 10.01369 11.33205 
1 1 1  -36    8    7 o  185.022   6.1995   92.087   6.1348  102.384   9.5381   84.822   8.0120  193.647   9.1151  176.396   8.4055 17.25137 12.39909 
1 1 1  -36    8    8 o   79.983   12.248   18.089   5.0687   21.611   8.0571   15.783   6.5206   86.233   17.878   73.734   16.747 12.49851 24.49671 
1 1 1  -36    8    9 o   32.027   10.710  -7.5232   4.8685 -11.3751   7.8503  -5.1158   6.2061   31.934   15.377   32.119   14.911 -0.1846752 21.41927 
1 1 1  -36    8   10 o   98.282   11.956   27.334   6.1358   21.705   8.3628   33.896   9.0301   86.206   18.506  110.357   15.143 -24.15087 23.91166 
1 1 1  -36    8   11 o  157.965   8.6803   68.743   7.4008   69.347   10.747   68.198   10.206  158.556   12.544  157.374   12.002 1.182159 17.36057 
1 1 1  -36    8   12 o  192.104   8.0110  100.947   8.2883  107.297   12.350   95.743   11.180  197.504   11.572  186.705   11.082 10.79929 16.02209 
1 1 1  -36    8   13 o   66.535   14.097   10.142   5.5969   21.532   9.7267   4.5045   6.8433   85.090   21.225   47.980   18.558 37.11008 28.19363 
1 1 1  -36    8   14 o   76.020   12.323   17.876   5.2582   8.4195   8.1245   24.692   6.8976   57.630   20.607   94.410   13.520 -36.77957 24.64652 
1 1 1  -36    8   15 o  155.776   7.1254   66.861   5.9256   63.941   8.9943   69.101   7.8766  152.565   10.910  158.987   9.1683 -6.421432 14.25084 
1 1 1  -36    8   16 o  159.002   7.1300   69.844   6.0108   66.268   9.3159   72.394   7.8677  155.245   11.105  162.760   8.9456 -7.514465 14.25995 
1 1 1  -36    8   17 o  120.013   13.247   39.913   8.5905   39.913   8.5905   0.0000   0.0000  120.013   13.247  ?   ?       ?      ? 
1 1 1  -36    8   18 o  129.396   8.3259   46.059   5.7899   47.313   8.6993   45.062   7.7577  130.852   12.303  127.940   11.221 2.912460 16.65177 
1 1 1  -36    8   19 o  122.527   23.205   45.068   14.801   45.068   14.801   0.0000   0.0000  122.527   23.205  ?   ?       ?      ? 
1 1 1  -36    8   20 o   84.180   18.798   20.588   9.1789   25.586   15.805   18.045   11.275   90.714   28.744   77.646   24.233 13.06812 37.59608 
1 1 1  -36    8   21 o  132.308   11.354   49.493   8.0978   51.216   11.210   47.613   11.711  134.957   15.371  129.660   16.715 5.296967 22.70797 
1 1 1  -36    8   22 o   45.345   13.153   2.0692   5.3434  -2.1160   8.0039   5.4342   7.1769   40.683   18.099   50.007   19.090 -9.323555 26.30625 
1 1 1  -36    8   23 o  128.434   8.4714   46.258   5.7975   41.866   8.6831   49.791   7.7875  122.541   13.113  134.326   10.729 -11.78461 16.94289 
1 1 1  -36    8   24 o   47.159   13.101   3.2421   5.2504  -2.5612   7.8932   7.8478   7.0317   39.814   17.824   54.505   19.205 -14.69136 26.20152 
1 1 1  -36    8   25 o   63.330   13.441   11.962   5.2744   6.2271   8.1061   16.172   6.9458   52.903   20.266   73.757   17.661 -20.85402 26.88180 
1 1 1  -36    8   26 o   81.530   12.389   21.056   5.6014   9.0001   8.3723   30.824   7.5366   58.181   20.907  104.879   13.298 -46.69776 24.77784 
1 1 1  -36    8   27 o   97.992   11.234   28.235   5.6558   24.749   8.6352   30.854   7.4846   91.115   18.176  104.870   13.208 -13.75443 22.46787 
1 1 1  -36    8   28 o  172.568   7.1125   82.314   6.6050   81.844   9.7757   82.709   8.9593  171.934   10.522  173.201   9.5727 -1.267227 14.22499 
1 1 1  -36    8   29 o   41.006   12.597  -0.4327   5.2492  -2.6645   7.5607   1.6443   7.2935   38.527   17.331   43.485   18.285 -4.958214 25.19333 
1 1 1  -36    8   30 o   60.806   13.712   10.566   5.5906   3.4186   8.3880   16.279   7.4992   48.428   19.921   73.185   18.848 -24.75684 27.42453 
1 1 1  -36    8   31 o  179.879   7.0772   89.997   6.8458   85.371   10.017   94.051   9.3774  175.263   10.577  184.495   9.4061 -9.232040 14.15447 
1 1 1  -36    8   32 o   92.287   15.451   25.305   6.9835   30.608   13.298   23.285   8.2061   96.730   25.192   87.844   17.895 8.885971 30.90112 
1 1 1  -36    8   33 o   43.376   13.988  -9.1611   6.2828   6.5743   12.702 -14.2580   7.2291   59.081   24.430   27.671   13.630 31.41028 27.97502 
1 1 1  -36    8   34 o  101.490   13.184   30.420   7.0263   26.157   9.1970   36.396   10.889   92.224   19.084  110.756   18.195 -18.53163 26.36747 
1 1 1  -36    8   35 o   97.644   13.787   29.170   6.9481   27.877   9.1109   30.968   10.741   95.719   18.281   99.569   20.641 -3.850822 27.57319 
1 1 1  -36    8   36 f   46.372   13.530   2.3663   5.7379  -2.3297   8.2691   6.7270   7.9684   40.284   18.122   52.461   20.094 -12.17712 27.05922 
1 1 1  -36    8   37 o   53.858   14.270   6.2135   5.9851   13.109   8.8344   0.3640   8.1370   64.812   21.564   42.904   18.695 21.90768 28.53952 
1 1 1  -36    8   38 o   81.826   13.972   21.354   6.1893   16.597   8.7438   26.132   8.7622   71.743   21.129   91.909   18.286 -20.16587 27.94309 
1 1 1  -36    8   39 o   56.298   14.821   8.6923   6.2276   4.6742   9.2946   11.966   8.3892   50.579   20.905   62.016   21.015 -11.43676 29.64180 
1 1 1  -36    8   40 o   50.175   14.473   5.3428   6.1971   6.7457   9.0267   4.0921   8.5231   52.494   21.002   47.856   19.918 4.638641 28.94506 
1 1 1  -36    8   41 o   54.815   15.071   7.9448   6.4853   11.282   9.4422   4.9649   8.9230   60.056   22.110   49.574   20.486 10.48137 30.14144 
1 1 1  -36    8   42 o   57.640   15.445   9.3054   6.8227   5.0159   9.8984   13.188   9.4170   51.390   21.434   63.890   22.243 -12.49963 30.88941 
1 1 1  -36    8   43 o   35.984   12.581 -20.1454   8.3188 -20.6731   10.367 -19.1914   13.939   32.006   15.867   39.962   19.527 -7.956200 25.16101 
1 1 1  -36    8   44 o   70.567   17.953   17.642   9.8280   30.045   13.736   4.6306   14.068   87.045   26.678   54.090   24.033 32.95512 35.90668 
1 1 1  -36    8   45 o   55.408   16.507   0.8240   10.138   24.009   14.469 -21.5405   14.210   73.385   27.302   37.431   18.560 35.95370 33.01301 
1 1 1  -36    8   46 o   82.093   18.200   28.187   10.441   11.822   16.447   39.234   13.513   61.730   26.739  102.455   24.697 -40.72506 36.39947 
1 1 1  -36    8   47 o   49.782   16.110   1.4610   10.101  -8.5721   16.271   7.7523   12.884   45.775   22.066   53.788   23.479 -8.013149 32.22041 
1 1 1  -36    9    1 f  136.881   7.6595   52.070   5.5442   47.932   8.5775   55.039   7.2660  131.900   12.035  141.863   9.4785 -9.963043 15.31906 
1 1 1  -36    9    2 o  124.524   8.1290   43.320   5.3520   38.736   8.1985   46.724   7.0650  118.427   12.811  130.620   10.010 -12.19286 16.25796 
1 1 1  -36    9    3 o  155.254   6.8224   66.113   5.6242   65.006   8.7680   66.887   7.3312  153.961   10.539  156.548   8.6664 -2.586975 13.64473 
1 1 1  -36    9    4 o  167.949   6.6967   77.526   5.9709   74.914   9.2692   79.379   7.8063  165.318   10.376  170.581   8.4688 -5.263138 13.39344 
1 1 1  -36    9    5 o   83.634   11.427   18.771   5.0040   31.460   7.9884   10.576   6.4197  106.531   13.877   60.738   18.158 45.79280 22.85331 
1 1 1  -36    9    6 o   59.714   12.914   8.2551   4.8547   17.031   7.8548   2.8306   6.1754   76.097   19.125   43.332   17.359 32.76460 25.82784 
1 1 1  -36    9    7 o   50.381   12.603   5.1528   5.0013  -4.0480   7.9883   11.084   6.4139   38.778   17.593   61.983   18.051 -23.20576 25.20669 
1 1 1  -36    9    8 o  182.994   7.2999   90.724   7.1728   82.322   9.5160  101.779   10.915  173.338   10.159  192.650   10.485 -19.31165 14.59979 
1 1 1  -36    9    9 o   60.286   14.162   6.5708   6.3225   18.800   9.4735  -3.2500   8.4898   79.544   21.519   41.028   18.418 38.51651 28.32474 
1 1 1  -36    9   10 o  134.692   9.8221   50.124   7.1297   53.018   10.565   47.703   9.6617  138.183   14.148  131.201   13.628 6.982025 19.64425 
1 1 1  -36    9   11 o   49.111   14.288   2.4667   6.2112  -0.6396   8.9242   5.3851   8.6500   45.148   19.626   53.073   20.770 -7.924900 28.57610 
1 1 1  -36    9   12 o  118.768   8.7360   38.195   5.5379   43.690   8.7020   34.454   7.1795  125.718   12.810  111.818   11.882 13.89994 17.47192 
1 1 1  -36    9   13 o   41.984   12.539   0.7770   4.9348  -1.8296   7.5848   2.6902   6.4981   40.130   17.747   43.838   17.720 -3.708138 25.07894 
1 1 1  -36    9   14 o   99.376   10.229   27.180   5.4265   29.470   8.4757   25.590   7.0642  102.714   15.271   96.038   13.612 6.676331 20.45700 
1 1 1  -36    9   15 o  210.510   6.1177  121.821   6.8635  116.012   10.471  126.195   9.0877  205.872   9.4129  215.149   7.8168 -9.277283 12.23538 
1 1 1  -36    9   16 o   86.705   12.111   22.148   5.3833   19.270   8.6496   23.968   6.8777   80.537   19.973   92.873   13.704 -12.33652 24.22262 
1 1 1  -36    9   17 o   91.153   17.213   24.160   8.1677   24.160   8.1677   0.0000   0.0000   91.153   17.213  ?   ?       ?      ? 
1 1 1  -36    9   18 o  134.950   12.834   49.440   8.9326   60.135   15.634   44.257   10.884  144.531   20.018  125.369   16.066 19.16232 25.66832 
1 1 1  -36    9   19 o  110.920   16.824   38.756   9.7731   29.550   15.492   44.842   12.596   96.679   28.025  125.162   18.624 -28.48260 33.64894 
1 1 1  -36    9   20 o   77.463   24.203   18.133   11.244   0.0000   0.0000   18.133   11.244  ?   ?    77.463   24.203      ?      ? 
1 1 1  -36    9   21 o   49.094   13.732   3.0309   5.4896   8.7051   8.6850  -0.7443   7.0841   58.335   21.246   39.853   17.402 18.48259 27.46324 
1 1 1  -36    9   22 o  204.641   6.4300  116.339   7.0117  103.161   10.424  127.229   9.4758  193.611   9.9635  215.671   8.1308 -22.06085 12.86010 
1 1 1  -36    9   23 o  122.131   8.7316   41.308   5.7185   42.896   8.7027   40.101   7.5862  124.003   12.988  120.260   11.674 3.743095 17.46323 
1 1 1  -36    9   24 o   49.921   13.800   4.7525   5.3924   6.9858   8.1385   3.0049   7.1994   54.243   20.418   45.600   18.571 8.642979 27.60031 
1 1 1  -36    9   25 o  134.706   8.1854   49.605   5.9022   60.052   8.9763   41.649   7.8338  147.085   11.294  122.327   11.851 24.75811 16.37074 
1 1 1  -36    9   26 o   70.135   13.976   14.521   5.5284   18.231   8.4308   11.722   7.3225   77.354   20.016   62.916   19.511 14.43792 27.95246 
1 1 1  -36    9   27 f  132.595   8.4613   48.988   6.0167   49.347   9.0912   48.708   8.0259  132.778   12.671  132.413   11.217 0.3644714 16.92255 
1 1 1  -36    9   28 o  100.633   11.291   30.425   5.7171   24.112   8.8321   34.977   7.5004   89.459   18.865  111.806   12.414 -22.34705 22.58298 
1 1 1  -36    9   29 o  159.247   7.6180   70.576   6.5097   69.420   9.7485   71.507   8.7451  157.790   11.433  160.704   10.071 -2.913940 15.23595 
1 1 1  -36    9   30 o  137.549   8.2314   52.283   6.0400   56.733   9.4612   49.221   7.8472  142.154   12.317  132.945   10.923 9.209595 16.46277 
1 1 1  -36    9   31 o   54.389   13.880   7.0088   5.7582  -0.0862   8.5848   12.812   7.7637   43.891   19.162   64.887   20.085 -20.99667 27.75925 
1 1 1  -36    9   32 o  110.948   11.375   37.668   6.2640   26.114   9.2906   47.299   8.4818   92.244   19.261  129.652   12.107 -37.40797 22.74960 
1 1 1  -36    9   33 o  108.297   14.868   36.682   7.1382   35.473   14.894   37.043   8.1332  102.408   26.656  114.186   13.181 -11.77812 29.73677 
1 1 1  -36    9   34 o   50.357   14.356   4.0903   6.0822   8.5360   9.2499   0.7042   8.0728   57.237   21.715   43.477   18.783 13.75930 28.71136 
1 1 1  -36    9   35 o   49.610   14.743   2.8213   6.9132   6.8813   8.5069  -5.0743   11.863   53.489   20.690   45.730   21.008 7.759254 29.48564 
1 1 1  -36    9   36 o   53.204   13.279   2.5223   6.0679   17.202   8.9053 -10.2004   8.2904   73.246   21.253   33.162   15.926 40.08470 26.55750 
1 1 1  -36    9   37 o   43.124   13.445  -0.2467   6.0628  -0.0014   9.1928  -0.4356   8.0655   44.619   19.645   41.628   18.361 2.991318 26.88910 
1 1 1  -36    9   38 f   52.621   14.705   6.5489   6.1865   6.4979   8.7254   6.6006   8.7727   52.507   20.763   52.734   20.830 -0.2271309 29.41097 
1 1 1  -36    9   39 o   88.493   14.094   25.351   6.5772   25.576   9.3496   25.130   9.2542   88.876   19.956   88.110   19.906 0.7658234 28.18716 
1 1 1  -36    9   40 o   69.824   14.689   16.033   6.5855   7.1684   9.4465   24.415   9.1856   53.395   21.441   86.253   20.083 -32.85713 29.37803 
1 1 1  -36    9   41 o   79.261   15.003   21.036   6.5967   18.477   9.6814   23.254   9.0128   73.942   22.342   84.579   20.029 -10.63689 30.00583 
1 1 1  -36    9   42 o  102.007   24.773   36.149   13.519   0.0000   0.0000   36.149   13.519  ?   ?   102.007   24.773      ?      ? 
1 1 1  -36    9   43 o   75.211   18.645   20.751   9.6148   28.581   14.173   14.074   13.087   85.692   27.227   64.730   25.482 20.96139 37.29090 
1 1 1  -36    9   44 o   53.089   16.645   5.9333   9.4607   2.4257   12.702   10.304   14.179   48.920   22.191   57.257   24.814 -8.336830 33.28939 
1 1 1  -36    9   45 o   41.379   14.135 -13.9162   9.9003 -28.1982   15.759  -4.6036   12.725   38.115   19.004   44.644   20.929 -6.529022 28.27013 
1 1 1  -36    9   46 o   61.411   17.127   10.935   10.086  -8.6599   15.461   25.450   13.307   45.281   21.746   77.540   26.466 -32.25906 34.25460 
1 1 1  -36    9   47 o   67.068   17.101   16.219   8.3513   6.7974   10.691   30.968   13.376   50.430   21.701   83.705   26.435 -33.27561 34.20187 
1 1 1  -36   10    1 o   79.575   12.295   18.197   5.0525   19.972   8.0580   17.047   6.4857   82.473   18.533   76.677   16.163 5.795921 24.59062 
1 1 1  -36   10    2 o   98.601   9.8474   27.351   5.1012   25.288   8.0405   28.740   6.5994   95.100   15.646  102.102   11.961 -7.001846 19.69483 
1 1 1  -36   10    3 o  124.639   8.1340   42.851   5.3890   42.247   8.3757   43.277   7.0396  123.674   12.533  125.605   10.372 -1.930878 16.26808 
1 1 1  -36   10    4 o   68.298   13.037   14.081   5.0108   9.9455   7.9244   16.836   6.4681   60.403   20.425   76.193   16.208 -15.79025 26.07425 
1 1 1  -36   10    5 o   40.993   12.433  -2.5269   5.0786   4.7217   8.1244  -7.1759   6.5064   50.942   20.070   31.043   14.680 19.89907 24.86598 
1 1 1  -36   10    6 o  168.713   7.5450   78.115   6.8770   76.454   9.6012   79.865   9.8548  166.878   10.647  170.548   10.693 -3.669830 15.09009 
1 1 1  -36   10    7 o   80.365   13.528   19.567   6.0438   12.311   9.2701   24.932   7.9708   66.298   22.091   94.432   15.620 -28.13374 27.05539 
1 1 1  -36   10    8 o   80.352   14.079   19.542   6.1441   15.050   9.2859   23.041   8.1943   71.726   21.927   88.978   17.666 -17.25168 28.15812 
1 1 1  -36   10    9 o  118.485   11.663   42.168   6.7856   27.725   10.099   54.054   9.1617   97.001   19.934  139.969   12.113 -42.96788 23.32595 
1 1 1  -36   10   10 o   72.325   13.419   15.169   5.2181   16.650   8.3390   14.216   6.6897   74.998   20.148   69.651   17.729 5.347069 26.83738 
1 1 1  -36   10   11 o  148.551   7.3205   60.551   5.7783   60.628   9.0295   60.498   7.5196  148.419   11.259  148.682   9.3594 -0.2629852 14.64091 
1 1 1  -36   10   12 o   94.517   13.160   24.762   6.7211   0.0000   0.0000   24.762   6.7211  ?   ?    94.517   13.160      ?      ? 
1 1 1  -36   10   13 o  175.467   6.7340   83.671   6.2422   87.466   10.029   81.271   7.9752  178.458   10.400  172.475   8.5571 5.982895 13.46804 
1 1 1  -36   10   14 o  191.479   6.5606  100.721   6.6104   98.904   10.575  101.887   8.4691  189.757   10.313  193.200   8.1123 -3.443268 13.12121 
1 1 1  -36   10   15 o  101.286   10.162   27.622   5.4199   33.249   8.9755   24.393   6.7995  108.909   15.251   93.664   13.434 15.24572 20.32446 
1 1 1  -36   10   16 o  210.236   6.3179  120.722   7.0709  122.727   11.024  119.320   9.2164  211.486   9.6468  208.986   8.1612 2.499557 12.63587 
1 1 1  -36   10   17 o   67.978   15.034   13.274   6.1565   10.697   8.2842   16.453   9.2011   61.869   20.883   74.088   21.633 -12.21909 30.06839 
1 1 1  -36   10   18 o   72.302   27.713   13.205   15.163   13.205   15.163   0.0000   0.0000   72.302   27.713  ?   ?       ?      ? 
1 1 1  -36   10   19 o   94.022   22.710   27.072   11.408   0.0000   0.0000   27.072   11.408  ?   ?    94.022   22.710      ?      ? 
1 1 1  -36   10   20 o   89.676   23.130   24.752   11.282   0.0000   0.0000   24.752   11.282  ?   ?    89.676   23.130      ?      ? 
1 1 1  -36   10   21 o   55.144   13.670   7.9047   5.3377   2.4545   8.4453   11.530   6.8879   47.627   19.825   62.661   18.825 -15.03457 27.33944 
1 1 1  -36   10   22 o  208.855   6.4139  118.685   7.1441  126.489   11.175  113.291   9.2908  214.386   9.6460  203.324   8.4563 11.06282 12.82782 
1 1 1  -36   10   23 o   57.060   14.170   8.3831   5.4830   11.969   8.1983   5.4808   7.3752   63.949   20.749   50.172   19.304 13.77722 28.34033 
1 1 1  -36   10   24 o  167.002   6.9945   76.618   6.2322   79.185   9.6733   74.797   8.1489  169.127   10.585  164.876   9.1464 4.250870 13.98890 
1 1 1  -36   10   25 o   54.435   14.273   7.0908   5.5019   9.4029   8.7137   5.5579   7.0952   59.150   21.321   49.719   18.981 9.430416 28.54559 
1 1 1  -36   10   26 o  114.762   9.5497   37.167   5.8496   36.265   8.9263   37.845   7.7441  113.154   14.599  116.369   12.315 -3.214943 19.09941 
1 1 1  -36   10   27 o   91.414   11.793   24.668   5.5751   22.977   8.6477   25.870   7.2931   87.198   18.899   95.631   14.113 -8.433289 23.58680 
1 1 1  -36   10   28 o   81.096   13.151   20.577   5.8608   13.102   8.8601   26.391   7.8148   66.032   21.577   96.160   15.040 -30.12738 26.30142 
1 1 1  -36   10   29 o  133.222   8.7885   50.532   6.2165   45.436   9.3931   54.504   8.2924  126.597   13.731  139.847   10.973 -13.25034 17.57690 
1 1 1  -36   10   30 o   38.785   12.401  -5.2664   5.6923   1.9126   8.6833 -10.6765   7.5379   46.626   19.797   30.944   14.942 15.68152 24.80276 
1 1 1  -36   10   31 o  142.178   8.7706   58.023   6.5964   50.048   9.9157   64.355   8.8350  132.518   13.847  151.837   10.768 -19.31888 17.54130 
1 1 1  -36   10   32 o  110.308   10.513   34.503   6.2082   39.077   9.6160   31.234   8.1294  116.277   15.304  104.339   14.419 11.93866 21.02661 
1 1 1  -36   10   33 o   82.586   14.554   21.456   6.4223   21.372   9.8825   21.517   8.4499   81.770   21.919   83.403   19.153 -1.633453 29.10821 
1 1 1  -36   10   34 o   74.152   17.423   15.975   7.1292   21.856   15.221   14.323   8.0690   80.538   28.265   67.765   20.379 12.77244 34.84561 
1 1 1  -36   10   35 o   73.500   15.037   17.476   6.3309   15.622   9.6399   18.883   8.3951   69.790   22.484   77.210   19.972 -7.419594 30.07336 
1 1 1  -36   10   36 o  138.472   11.621   54.679   8.3442   49.773   10.265   64.234   14.325  130.976   14.504  145.967   18.162 -14.99153 23.24295 
1 1 1  -36   10   37 o   41.540   13.040  -6.5331   6.4808   6.0939   9.4927 -17.5563   8.8694   52.955   21.413   30.125   14.887 22.83037 26.07960 
1 1 1  -36   10   38 o   35.339   11.839  -8.9741   6.2257 -15.7746   9.2187  -3.2720   8.4415   31.715   15.576   38.963   17.833 -7.247662 23.67798 
1 1 1  -36   10   39 o   46.314   13.921   1.5787   6.3759   7.5548   9.1149  -4.1472   8.9220   53.608   21.214   39.020   18.031 14.58709 27.84154 
1 1 1  -36   10   40 o   41.790   13.233  -5.2986   6.7240   5.3526   9.5557 -15.7447   9.4632   51.276   21.195   32.304   15.848 18.97248 26.46505 
1 1 1  -36   10   42 o   79.194   16.946   18.605   10.306   43.716   14.812  -4.9550   14.347  110.253   25.387   48.136   22.454 62.11721 33.89231 
1 1 1  -36   10   43 o   96.262   17.304   36.962   9.8191   21.392   13.648   53.671   14.138   70.675   26.472  121.850   22.294 -51.17553 34.60873 
1 1 1  -36   10   44 o   36.224   12.583 -13.8134   7.6901 -16.6802   14.042 -12.5851   9.1911   39.798   19.479   32.650   15.933 7.148624 25.16546 
1 1 1  -36   10   45 f   59.649   17.809   10.304   10.359   1.0360   14.936   18.894   14.380   51.104   23.512   68.194   26.754 -17.08938 35.61717 
1 1 1  -36   10   46 o   82.139   19.861   32.728   10.974   26.982   16.653   37.140   14.591   73.120   28.757   91.159   27.402 -18.03905 39.72227 
1 1 1  -36   11    1 o   48.976   13.104   5.2549   4.7592   2.7787   7.8237   6.7095   5.9963   47.061   19.285   50.891   17.747 -3.830139 26.20841 
1 1 1  -36   11    2 o  113.834   9.3999   38.276   5.3872   27.226   8.4728   45.774   6.9798   98.491   15.920  129.176   9.9994 -30.68510 18.79980 
1 1 1  -36   11    3 o   52.991   14.011   6.3681   5.4649   4.1870   8.0852   8.2027   7.4153   49.877   19.903   56.104   19.726 -6.226696 28.02271 
1 1 1  -36   11    4 o  117.618   9.9960   38.442   6.2288   38.874   9.8400   38.153   8.0461  117.830   15.454  117.406   12.683 0.4239960 19.99210 
1 1 1  -36   11    5 o   58.645   15.141   8.1848   6.1256   10.689   9.8422   6.6014   7.8261   63.698   22.691   53.592   20.051 10.10585 30.28116 
1 1 1  -36   11    6 o   81.940   14.220   18.684   6.1832   26.914   10.151   13.829   7.7963   95.259   20.340   68.621   19.878 26.63821 28.44018 
1 1 1  -36   11    7 o   96.030   12.926   27.109   6.4677   23.176   9.7082   30.248   8.6725   88.136   20.732  103.923   15.443 -15.78721 25.85142 
1 1 1  -36   11    8 o   75.053   13.085   15.525   5.1596   21.783   8.6419   12.059   6.4316   85.872   19.116   64.235   17.875 21.63651 26.17100 
1 1 1  -36   11    9 o   76.995   13.011   17.572   5.2392   16.829   8.4868   18.029   6.6596   75.213   20.376   78.777   16.186 -3.564079 26.02250 
1 1 1  -36   11   10 o   53.393   13.876   6.4523   5.1675   9.1221   8.3172   4.7737   6.5949   58.984   20.876   47.803   18.287 11.18125 27.75286 
1 1 1  -36   11   11 o   78.526   13.111   17.570   5.3627   21.650   8.7454   15.111   6.7888   85.414   19.391   71.638   17.652 13.77517 26.22204 
1 1 1  -36   11   12 o  154.093   7.5808   64.898   6.1839   67.763   9.8706   63.047   7.9340  156.606   11.664  151.580   9.6864 5.025955 15.16167 
1 1 1  -36   11   13 o   56.020   14.291   7.5360   5.4379   10.392   8.7848   5.7621   6.9240   61.777   21.485   50.262   18.850 11.51513 28.58152 
1 1 1  -36   11   14 f   54.553   13.065   7.5385   5.1867  -0.7280   8.3065   12.821   6.6403   43.186   18.851   65.919   18.093 -22.73295 26.12903 
1 1 1  -36   11   15 o  138.666   8.0440   52.694   5.9267   55.711   9.3744   50.685   7.6494  141.693   12.244  135.639   10.437 6.053696 16.08805 
1 1 1  -36   11   16 o   41.155   12.731  -3.7353   5.8384 -11.5395   8.2971   3.9189   8.2169   32.895   15.832   49.414   19.943 -16.51878 25.46296 
1 1 1  -36   11   17 f  174.143   8.2441   83.984   7.7409   76.834   10.818   91.486   11.081  166.410   12.030  181.876   11.275 -15.46606 16.48816 
1 1 1  -36   11   18 o   31.778   15.822 -25.6757   10.763   0.0000   0.0000 -25.6757   10.763  ?   ?    31.778   15.822      ?      ? 
1 1 1  -36   11   19 o   90.038   23.207   25.045   11.362   0.0000   0.0000   25.045   11.362  ?   ?    90.038   23.207      ?      ? 
1 1 1  -36   11   20 o   54.915   14.124   6.1394   5.6600   12.944   8.7849   1.3104   7.4008   66.374   21.472   43.457   18.354 22.91668 28.24763 
1 1 1  -36   11   21 o  134.338   8.3809   50.500   5.9311   48.803   9.4059   51.620   7.6418  131.992   13.188  136.683   10.346 -4.691574 16.76187 
1 1 1  -36   11   22 o   76.099   13.699   17.134   5.5799   20.263   8.7844   15.017   7.2246   81.574   20.067   70.624   18.653 10.94985 27.39747 
1 1 1  -36   11   23 o  106.053   10.176   31.904   5.7490   31.027   8.8225   32.551   7.5791  104.356   15.645  107.749   13.017 -3.392311 20.35248 
1 1 1  -36   11   24 o   68.990   14.486   14.033   5.6819   16.509   9.1506   12.479   7.2485   73.386   21.616   64.594   19.291 8.791840 28.97175 
1 1 1  -36   11   25 o  128.112   8.6240   44.922   5.8890   51.750   9.3107   40.369   7.6031  135.885   12.680  120.340   11.692 15.54480 17.24795 
1 1 1  -36   11   26 o  124.886   9.0574   43.839   6.0452   43.741   9.2395   43.913   7.9937  124.400   13.745  125.373   11.799 -0.9734268 18.11476 
1 1 1  -36   11   27 o   42.343   12.956   0.1936   5.4770  -2.2447   8.4054   1.9927   7.2203   41.052   18.385   43.635   18.261 -2.582302 25.91288 
1 1 1  -36   11   28 o   55.965   14.498   7.8355   5.7697   11.451   8.7557   5.0604   7.6706   62.481   21.465   49.449   19.495 13.03210 28.99672 
1 1 1  -36   11   29 o  173.024   7.2313   82.747   6.6804   86.377   10.361   80.164   8.7397  175.922   10.899  170.127   9.5068 5.794327 14.46259 
1 1 1  -36   11   30 o   83.661   13.525   21.579   5.9377   21.695   9.0612   21.492   7.8605   83.255   20.320   84.066   17.855 -0.8106766 27.04988 
1 1 1  -36   11   31 o   95.614   12.223   26.542   6.1126   33.781   9.4820   21.395   7.9958  107.620   16.305   83.607   18.214 24.01244 24.44564 
1 1 1  -36   11   32 o   60.188   15.108   10.516   6.1584   9.0378   9.6423   11.534   8.0036   58.513   22.178   61.864   20.522 -3.350945 30.21582 
1 1 1  -36   11   33 f   56.486   14.415   6.0878   6.1714   16.548   9.6223  -1.2218   8.0436   72.025   22.371   40.946   18.184 31.07812 28.82916 
1 1 1  -36   11   34 o   70.418   14.743   16.115   6.5799   7.3771   10.045   22.683   8.7086   55.831   22.214   85.005   19.388 -29.17443 29.48509 
1 1 1  -36   11   35 o  187.124   10.439  107.940   8.9880   88.423   17.114  115.373   10.562  170.881   18.534  203.368   9.6110 -32.48698 20.87808 
1 1 1  -36   11   36 o   62.808   15.560   12.131   6.7614   7.4992   10.144   15.834   9.0701   55.780   22.282   69.836   21.724 -14.05601 31.11991 
1 1 1  -36   11   37 o   73.787   14.409   18.108   8.2102   33.377   10.317  -8.2590   13.558  102.319   19.370   45.254   21.336 57.06422 28.81712 
1 1 1  -36   11   38 o   95.686   14.362   29.452   7.1898   37.316   10.896   23.386   9.5689  107.839   19.412   83.533   21.172 24.30589 28.72390 
1 1 1  -36   11   39 o   73.362   16.380   18.406   7.2625   17.974   10.643   18.782   9.9353   72.391   23.648   74.332   22.672 -1.941635 32.76062 
1 1 1  -36   11   40 o   46.606   20.899  -0.7537   10.899  -0.7537   10.899   0.0000   0.0000   46.606   20.899  ?   ?       ?      ? 
1 1 1  -36   11   41 o   58.214   17.360   8.1550   9.3191   9.2342   13.672   7.2185   12.736   59.742   25.073   56.686   24.017 3.056175 34.71978 
1 1 1  -36   11   42 o   54.064   16.440   2.9064   9.7429 -13.0113   13.711   19.140   13.847   40.482   19.689   67.646   26.332 -27.16431 32.87933 
1 1 1  -36   11   43 o   83.547   15.534   19.937   8.1063   49.842   14.039   4.9800   9.9285  117.890   22.863   49.204   21.036 68.68585 31.06877 
1 1 1  -36   11   44 o   81.771   18.236   20.406   8.8660   48.131   16.951   9.9654   10.402  107.307   28.683   56.235   22.529 51.07175 36.47252 
1 1 1  -36   11   45 o   80.931   19.272   30.718   10.304   25.923   16.287   33.919   13.306   72.487   28.461   89.376   25.992 -16.88898 38.54351 
1 1 1  -36   12    1 o   56.061   14.362   7.7974   5.8582   2.2475   9.4749   11.232   7.4536   49.721   20.870   62.400   19.736 -12.67944 28.72436 
1 1 1  -36   12    2 o  141.944   9.2906   57.387   6.8875   49.887   10.790   62.545   8.9477  133.312   14.978  150.576   10.997 -17.26393 18.58125 
1 1 1  -36   12    3 o   47.117   13.819   0.5551   5.6129   7.2928   9.7290  -2.8063   6.8718   57.550   22.164   36.685   16.510 20.86525 27.63745 
1 1 1  -36   12    4 o  113.776   10.824   36.842   6.5092   33.784   10.047   39.054   8.5450  109.128   17.038  118.424   13.353 -9.295822 21.64707 
1 1 1  -36   12    5 o   99.068   12.170   27.479   6.0028   30.766   10.554   25.907   7.2984  101.831   19.893   96.304   14.025 5.526314 24.33983 
1 1 1  -36   12    6 o  127.211   8.5165   44.338   5.7191   47.054   9.2331   42.648   7.2848  130.042   13.139  124.381   10.839 5.661461 17.03303 
1 1 1  -36   12    7 o  102.167   9.8975   27.914   5.3411   35.825   8.7379   23.194   6.7488  113.157   14.290   91.176   13.698 21.98074 19.79492 
1 1 1  -36   12    8 o   75.313   13.192   17.522   5.3290   13.242   8.6842   20.107   6.7491   67.311   21.305   83.316   15.563 -16.00463 26.38375 
1 1 1  -36   12    9 o  145.813   7.8271   58.014   6.0191   61.798   9.7518   55.685   7.6504  149.310   12.087  142.316   9.9481 6.994507 15.65417 
1 1 1  -36   12   10 o   55.284   14.058   7.8736   5.3968   5.1320   8.6862   9.5972   6.8874   52.282   20.703   58.285   19.023 -6.003036 28.11574 
1 1 1  -36   12   11 o  173.183   7.0474   82.400   6.4713   83.026   10.196   81.978   8.3744  173.438   10.879  172.927   8.9620 0.5110931 14.09487 
1 1 1  -36   12   12 o   80.024   13.575   18.302   5.6462   23.063   9.3815   15.597   7.0700   87.587   20.230   72.461   18.107 15.12651 27.14997 
1 1 1  -36   12   13 f  106.546   9.9517   31.666   5.5828   32.395   8.9970   31.210   7.1192  107.123   15.543  105.968   12.433 1.154839 19.90345 
1 1 1  -36   12   14 o   43.899   13.270   0.8626   5.4376  -0.1718   9.0095   1.4553   6.8197   45.494   19.748   42.304   17.729 3.189640 26.53901 
1 1 1  -36   12   15 o   63.477   14.535   11.545   5.5763   11.898   9.1055   11.333   7.0539   64.675   21.894   62.278   19.123 2.397087 29.06922 
1 1 1  -36   12   16 f   84.315   14.246   21.370   6.4143   18.801   8.8506   24.212   9.3092   78.804   20.566   89.825   19.720 -11.02131 28.49236 
1 1 1  -36   12   17 o  127.047   18.727   46.667   12.856   0.0000   0.0000   46.667   12.856  ?   ?   127.047   18.727      ?      ? 
1 1 1  -36   12   18 o  160.048   15.419   72.635   13.335   0.0000   0.0000   72.635   13.335  ?   ?   160.048   15.419      ?      ? 
1 1 1  -36   12   19 o   68.443   16.457   13.764   7.2202   14.377   9.3220   12.845   11.415   69.228   22.090   67.659   24.400 1.569229 32.91430 
1 1 1  -36   12   20 o  154.566   7.7960   65.981   6.4173   68.054   10.019   64.539   8.3563  156.296   11.863  152.836   10.118 3.460602 15.59193 
1 1 1  -36   12   21 o   50.852   13.918   5.6186   5.3785   5.1496   8.5339   5.9277   6.9275   51.565   20.489   50.139   18.844 1.425987 27.83692 
1 1 1  -36   12   22 f  128.398   9.0383   46.211   6.1010   46.063   9.8065   46.304   7.7928  127.690   14.212  129.106   11.170 -1.415268 18.07665 
1 1 1  -36   12   23 o   55.090   14.208   7.3889   5.3978   10.528   8.7311   5.4470   6.8674   61.154   21.410   49.027   18.684 12.12678 28.41654 
1 1 1  -36   12   24 o   36.508   11.879  -7.3779   5.4046   0.6986   8.5844 -12.6816   6.9564   45.089   19.424   27.928   13.678 17.16164 23.75702 
1 1 1  -36   12   25 o   61.891   13.926   11.531   5.5302   6.0998   8.6742   15.250   7.1783   52.981   20.781   70.800   18.543 -17.81875 27.85105 
1 1 1  -36   12   26 o   62.889   14.274   11.961   5.5123   10.103   8.6712   13.221   7.1409   59.882   21.302   65.895   19.006 -6.012844 28.54814 
1 1 1  -36   12   27 o   75.232   13.830   17.591   5.6873   15.933   8.3801   19.007   7.7436   71.597   20.571   78.867   18.491 -7.270172 27.66034 
1 1 1  -36   12   28 o   63.186   14.654   12.149   5.8426   9.7032   8.9277   13.981   7.7272   59.086   21.537   67.285   19.876 -8.198784 29.30725 
1 1 1  -36   12   29 o   49.249   14.050   4.6019   5.7006   4.5828   8.8839   4.6152   7.4325   50.513   20.608   47.985   19.104 2.528397 28.10009 
1 1 1  -36   12   30 o   68.836   14.645   15.022   5.9811   11.815   9.2459   17.330   7.8431   63.005   22.034   74.667   19.299 -11.66254 29.29065 
1 1 1  -36   12   31 o   39.119   12.495  -3.0545   5.7272  -8.3795   9.1867   0.3308   7.3249   37.045   17.496   41.194   17.844 -4.149063 24.99003 
1 1 1  -36   12   32 o   48.173   14.292   3.1482   6.2310   2.4961   9.6250   3.6186   8.1754   48.770   20.778   47.576   19.630 1.193604 28.58429 
1 1 1  -36   12   33 o   55.195   14.632   7.0655   6.0817   13.235   9.3039   2.4627   8.0363   64.988   22.130   45.402   19.148 19.58600 29.26400 
1 1 1  -36   12   34 o   77.116   15.085   19.690   6.6710   14.639   10.056   23.661   8.9154   67.629   23.007   86.603   19.518 -18.97379 30.17098 
1 1 1  -36   12   35 o   38.227   12.556  -5.8563   6.3673 -13.1562   10.377  -1.4484   8.0637   36.178   17.485   40.276   18.024 -4.098721 25.11141 
1 1 1  -36   12   36 o   74.601   18.078   17.859   7.9069   25.721   15.771   15.219   9.1384   81.716   28.765   67.485   21.907 14.23109 36.15678 
1 1 1  -36   12   37 o   37.968   12.604  -7.8743   6.8290 -16.3557   10.462  -1.5778   9.0143   34.174   16.745   41.763   18.842 -7.589268 25.20747 
1 1 1  -36   12   38 o   69.707   17.049   16.654   8.2664   21.523   10.666   9.3288   13.082   79.099   23.347   60.314   24.852 18.78521 34.09869 
1 1 1  -36   12   39 o   54.360   15.450   3.9504   7.5956   15.035   11.238  -5.3732   10.306   67.430   24.222   41.291   19.184 26.13938 30.89901 
1 1 1  -36   12   40 o   45.666   15.149  -6.7564   9.5745 -12.4054   14.146  -1.9813   13.006   43.154   20.745   48.178   22.082 -5.023643 30.29812 
1 1 1  -36   12   41 o   53.567   16.735   6.4244   9.4254   9.6036   14.371   4.0248   12.486   56.880   24.813   50.255   22.463 6.625206 33.47093 
1 1 1  -36   12   42 o   66.845   17.688   14.852   8.2457   26.104   14.518   9.4942   10.019   78.333   27.596   55.358   22.133 22.97594 35.37519 
1 1 1  -36   12   43 o   55.409   14.679   4.4239   7.0104   21.490   10.908  -7.5874   9.1506   75.032   23.890   35.786   17.062 39.24588 29.35723 
1 1 1  -36   12   44 o   35.943   12.711 -25.3449   10.141 -30.1126   16.073 -22.1914   13.072   36.885   18.509   35.000   17.428 1.885578 25.42261 
1 1 1  -36   13    1 o  155.430   8.7281   67.391   7.1999   65.698   11.204   68.581   9.3973  153.329   13.522  157.531   11.040 -4.201416 17.45628 
1 1 1  -36   13    2 o   81.077   13.421   19.909   5.5628   17.185   10.040   21.116   6.6823   75.381   22.746   86.774   14.251 -11.39348 26.84197 
1 1 1  -36   13    3 f   68.615   13.052   15.142   5.3191   5.9200   9.0519   20.006   6.5737   54.100   21.226   83.130   15.194 -29.02990 26.10354 
1 1 1  -36   13    4 o  145.293   8.0000   58.822   6.0178   56.834   9.9602   59.965   7.5520  142.836   12.905  147.751   9.4590 -4.914627 16.00002 
1 1 1  -36   13    5 o   92.813   13.442   24.059   6.7415   0.0000   0.0000   24.059   6.7415  ?   ?    92.813   13.442      ?      ? 
1 1 1  -36   13    6 o   73.977   12.071   17.867   5.3551   3.9554   8.6263   26.590   6.8307   50.264   20.382   97.689   12.940 -47.42456 24.14233 
1 1 1  -36   13    7 o  132.838   8.7478   49.183   6.0290   48.504   9.9827   49.573   7.5644  131.582   14.040  134.095   10.439 -2.513351 17.49566 
1 1 1  -36   13    8 o  112.093   10.036   34.757   5.9513   37.550   9.5775   33.001   7.5957  115.359   15.364  108.826   12.917 6.533615 20.07239 
1 1 1  -36   13    9 o  129.019   9.0012   46.779   6.0618   44.566   9.7994   48.151   7.7151  125.990   14.394  132.048   10.812 -6.057602 18.00248 
1 1 1  -36   13   10 o  150.881   8.0526   63.897   6.3582   59.187   10.133   66.956   8.1659  145.728   12.868  156.035   9.6849 -10.30688 16.10513 
1 1 1  -36   13   11 o   97.284   12.287   28.754   5.9529   22.930   9.6787   32.298   7.5497   86.968   20.863  107.601   12.985 -20.63374 24.57376 
1 1 1  -36   13   12 o   94.306   12.028   26.635   5.6997   22.604   9.2563   29.097   7.2338   86.540   20.167  102.072   13.115 -15.53125 24.05672 
1 1 1  -36   13   13 o   42.750   13.013  -2.1579   5.4845   5.2507   8.9754  -6.5727   6.9285   52.761   20.997   32.740   15.379 20.02134 26.02640 
1 1 1  -36   13   14 o   47.174   13.782   2.6619   5.5166   4.0667   9.1871   1.8697   6.8988   51.315   20.948   43.032   17.916 8.282551 27.56456 
1 1 1  -36   13   15 o   62.885   15.375   10.646   6.5648   15.458   9.4550   6.1667   9.1221   71.471   22.172   54.300   21.307 17.17050 30.75032 
1 1 1  -36   13   16 o   46.583   15.441 -18.0177   6.9805   9.2365   16.966 -23.5713   7.6588   68.575   28.285   24.592   12.397 43.98212 30.88199 
1 1 1  -36   13   17 o   62.447   24.636   8.7973   12.256   0.0000   0.0000   8.7973   12.256  ?   ?    62.447   24.636      ?      ? 
1 1 1  -36   13   18 o   50.368   16.460  -7.6144   9.5213  -1.5946   17.348 -10.2095   11.390   59.202   26.469   41.534   19.574 17.66798 32.92092 
1 1 1  -36   13   19 o   73.352   14.151   16.292   5.6978   16.808   8.9229   15.937   7.4039   74.058   21.212   72.646   18.738 1.412125 28.30291 
1 1 1  -36   13   20 f   75.916   13.893   16.684   5.6839   22.606   9.1801   13.002   7.2382   86.064   20.103   65.769   19.183 20.29443 27.78688 
1 1 1  -36   13   21 o  143.528   8.5864   59.544   6.3419   49.929   10.148   65.706   8.1236  132.835   14.138  154.221   9.7480 -21.38589 17.17277 
1 1 1  -36   13   22 o   36.124   11.887  -5.6086   5.5144  -8.4789   9.0804  -3.9316   6.9408   37.014   17.454   35.235   16.143 1.778584 23.77498 
1 1 1  -36   13   23 o   45.419   13.661   1.4877   5.7380   2.4242   9.2002   0.8915   7.3406   48.530   20.478   42.308   18.088 6.221657 27.32289 
1 1 1  -36   13   24 o   59.583   14.552   10.250   5.6674   9.0594   8.9796   11.039   7.3066   58.272   21.542   60.894   19.570 -2.621166 29.10431 
1 1 1  -36   13   25 o   46.104   12.988   2.1314   5.5348  -7.2806   8.6650   8.6180   7.1935   36.737   17.238   55.470   19.433 -18.73225 25.97691 
1 1 1  -36   13   26 o   52.834   13.675   6.4846   5.6920  -1.6757   8.9565   12.014   7.3723   42.793   19.084   62.874   19.590 -20.08029 27.34954 
1 1 1  -36   13   27 o  106.559   10.819   32.420   6.1824   35.961   9.4825   29.802   8.1536  111.350   15.760  101.769   14.827 9.581306 21.63789 
1 1 1  -36   13   28 o   37.045   12.144  -5.4962   5.8270  -9.3558   9.0758  -2.7895   7.6003   36.015   17.121   38.075   17.228 -2.059612 24.28851 
1 1 1  -36   13   29 o   71.317   14.543   16.182   5.9441   13.616   9.3195   17.942   7.7176   66.456   22.150   76.178   18.851 -9.721596 29.08549 
1 1 1  -36   13   30 o   54.586   14.480   6.5675   5.9584   12.676   9.1420   2.0561   7.8563   64.421   21.937   44.750   18.906 19.67149 28.95940 
1 1 1  -36   13   31 f   45.875   13.741   2.0508   5.8438   4.2899   8.9839   0.4085   7.6941   49.830   20.570   41.921   18.224 7.908688 27.48163 
1 1 1  -36   13   32 o  125.107   10.193   45.575   6.7649   44.128   10.489   46.606   8.8517  122.513   15.845  127.700   12.828 -5.187737 20.38627 
1 1 1  -36   13   33 o  154.941   8.8625   67.609   7.3671   76.392   11.269   61.052   9.7359  163.467   12.757  146.415   12.306 17.05243 17.72491 
1 1 1  -36   13   34 o   40.880   13.005  -2.7283   6.2899 -10.0199   9.9051   2.1987   8.1422   36.962   17.658   44.798   19.099 -7.836185 26.01098 
1 1 1  -36   13   35 o   49.915   14.170  -0.7727   6.7411   15.291   10.498 -12.0449   8.7938   67.130   23.478   32.700   15.873 34.42995 28.34040 
1 1 1  -36   13   36 o   48.139   14.224   2.6490   6.7885  -8.2287   11.263   8.8557   8.5075   40.900   19.333   55.377   20.869 -14.47730 28.44834 
1 1 1  -36   13   37 o   48.513   23.199 -12.7478   17.183 -12.7478   17.183   0.0000   0.0000   48.513   23.199  ?   ?       ?      ? 
1 1 1  -36   13   38 o   52.677   16.153   3.0885   8.7570   7.9396   10.862  -5.9189   14.801   56.457   22.878   48.897   22.808 7.559830 32.30554 
1 1 1  -36   13   39 f   69.771   26.679   18.284   14.031   18.284   14.031   0.0000   0.0000   69.771   26.679  ?   ?       ?      ? 
1 1 1  -36   13   40 o   59.763   16.953   6.5043   9.8898   28.221   14.559 -12.1036   13.477   79.113   27.650   40.412   19.624 38.70171 33.90618 
1 1 1  -36   13   41 o   51.617   15.914   3.5774   7.5970   12.032   14.178   0.1726   8.9977   60.778   25.522   42.456   19.017 18.32241 31.82782 
1 1 1  -36   13   42 o   60.242   15.628   12.616   7.1139   6.0679   10.740   17.734   9.4956   51.209   21.886   69.274   22.315 -18.06503 31.25639 
1 1 1  -36   13   43 o   48.207   16.210  -2.7249   11.230  -0.8601   17.995  -3.9144   14.372   50.813   24.141   45.600   21.639 5.212311 32.41940 
1 1 1  -36   14    1 o   68.626   13.891   14.255   5.3880   12.921   8.4959   15.152   6.9686   66.092   21.089   71.160   18.085 -5.068336 27.78108 
1 1 1  -36   14    2 o   97.737   11.073   27.110   5.4673   28.740   9.2098   26.222   6.7940   98.638   17.940   96.835   12.984 1.803055 22.14539 
1 1 1  -36   14    3 o   80.164   12.921   19.582   5.3592   16.411   9.2060   21.207   6.5911   73.482   21.691   86.845   14.045 -13.36284 25.84154 
1 1 1  -36   14    4 o  117.663   9.6247   37.806   5.8944   42.668   9.9824   35.203   7.3036  122.840   15.039  112.486   12.016 10.35379 19.24936 
1 1 1  -36   14    5 o   41.484   12.788  -0.3117   5.3000  -3.2068   8.8975   1.2805   6.5983   41.634   18.758   41.334   17.387 0.2998047 25.57638 
1 1 1  -36   14    6 o  110.332   10.308   34.245   5.9269   34.672   9.7689   33.996   7.4560  110.259   16.396  110.404   12.498 -0.1448288 20.61619 
1 1 1  -36   14    7 o  103.270   10.870   29.378   5.9697   35.358   9.5322   25.519   7.6574  111.530   15.817   95.010   14.915 16.51999 21.73993 
1 1 1  -36   14    8 o  116.528   10.791   41.103   6.1045   31.343   9.9354   47.022   7.7372  102.776   18.573  130.281   10.991 -27.50504 21.58155 
1 1 1  -36   14    9 o   98.851   11.455   26.539   5.8096   37.713   9.6004   20.083   7.2975  115.275   15.412   82.428   16.950 32.84673 22.90914 
1 1 1  -36   14   10 o  141.291   8.6317   56.153   6.3117   53.852   10.425   57.484   7.9305  138.315   13.948  144.266   10.173 -5.951111 17.26344 
1 1 1  -36   14   11 o   65.974   14.263   13.418   5.7337   8.1177   9.5595   16.396   7.1657   58.015   22.060   73.933   18.085 -15.91823 28.52562 
1 1 1  -36   14   12 o   80.806   13.407   17.874   5.7822   29.810   9.6175   11.118   7.2360  100.081   18.464   61.530   19.444 38.55099 26.81408 
1 1 1  -36   14   13 o  107.909   10.273   32.143   5.8451   36.555   9.5760   29.522   7.3792  113.284   15.643  102.534   13.319 10.75007 20.54508 
1 1 1  -36   14   14 o   55.643   14.676   7.0657   6.2866   1.0906   9.4442   11.820   8.4242   47.674   20.453   63.612   21.052 -15.93789 29.35161 
1 1 1  -36   14   15 o   53.223   16.375   2.3719   7.8172 -11.5405   18.613   5.3514   8.6137   54.429   25.451   52.018   20.611 2.410557 32.75032 
1 1 1  -36   14   16 o   59.218   24.245   6.2725   12.352   0.0000   0.0000   6.2725   12.352  ?   ?    59.218   24.245      ?      ? 
1 1 1  -36   14   17 o   73.423   20.101   13.446   10.425   19.401   19.743   11.144   12.276   81.285   31.498   65.561   24.982 15.72388 40.20221 
1 1 1  -36   14   18 o   91.640   13.051   24.466   6.1140   29.098   9.9270   21.635   7.7607   98.128   19.409   85.152   17.453 12.97585 26.10168 
1 1 1  -36   14   19 o   58.081   14.637   9.1145   5.6902   10.295   9.0752   8.3498   7.3044   60.844   21.777   55.317   19.565 5.527187 29.27485 
1 1 1  -36   14   20 o   44.233   13.360   1.1058   5.6712  -1.8131   8.9830   3.0402   7.3128   42.960   19.139   45.507   18.646 -2.547161 26.72021 
1 1 1  -36   14   21 o   84.468   13.281   20.599   5.8261   28.424   9.4823   15.853   7.3843   96.912   18.785   72.025   18.780 24.88747 26.56235 
1 1 1  -36   14   22 o   38.083   12.380  -4.7895   5.5901  -1.9782   9.2546  -6.4044   7.0142   43.295   19.347   32.872   15.451 10.42332 24.75979 
1 1 1  -36   14   23 o   48.835   14.033   4.2078   5.7471   2.8415   9.1553   5.0963   7.3830   48.772   20.496   48.897   19.174 -0.1241837 28.06667 
1 1 1  -36   14   24 o   57.209   14.613   9.0346   5.7239   9.2513   8.9940   8.8871   7.4206   58.321   21.559   56.098   19.733 2.222912 29.22661 
1 1 1  -36   14   25 o   64.356   14.369   12.840   5.8142   8.1879   8.9096   16.291   7.6733   56.275   21.321   72.437   19.268 -16.16156 28.73735 
1 1 1  -36   14   26 o   43.481   13.134   0.3862   5.7784  -6.8064   9.3078   4.8966   7.3708   38.620   18.039   48.342   19.094 -9.721901 26.26739 
1 1 1  -36   14   27 o   36.131   11.902  -6.0301   5.7131 -12.6962   9.5584  -2.3249   7.1260   34.939   16.860   37.323   16.804 -2.384579 23.80408 
1 1 1  -36   14   28 o   99.657   12.449   29.626   6.4409   30.346   10.076   29.129   8.3756   99.094   19.512  100.220   15.466 -1.125801 24.89762 
1 1 1  -36   14   29 o   39.686   12.744  -4.5041   5.9255   1.4020   9.2728  -8.5804   7.7035   46.614   20.134   32.758   15.628 13.85566 25.48801 
1 1 1  -36   14   30 o   50.789   13.963   5.2588   6.0189  -2.6460   9.5149   10.532   7.7714   42.522   19.256   59.056   20.225 -16.53331 27.92544 
1 1 1  -36   14   31 o   64.906   15.205   13.320   6.4866   8.2355   9.8411   17.225   8.6254   56.680   22.162   73.133   20.824 -16.45289 30.41025 
1 1 1  -36   14   32 o  138.868   9.4734   55.842   6.9542   54.476   10.923   56.773   9.0180  136.454   14.814  141.283   11.812 -4.829636 18.94683 
1 1 1  -36   14   33 o   61.514   15.722   10.545   6.8994   18.667   10.792   4.9293   8.9728   73.322   23.806   49.705   20.541 23.61698 31.44342 
1 1 1  -36   14   34 o   48.269   14.394   3.3692   6.6421  -1.8246   10.210   7.1808   8.7462   43.895   19.905   52.643   20.797 -8.748249 28.78770 
1 1 1  -36   14   35 o  106.001   12.938   34.294   7.1333   38.641   11.338   31.446   9.1775  109.897   19.821  102.105   16.634 7.792122 25.87560 
1 1 1  -36   14   36 o  111.746   12.273   37.626   7.3662   40.143   11.161   35.683   9.8046  114.552   18.031  108.940   16.655 5.612175 24.54642 
1 1 1  -36   14   37 o   45.185   14.679  -3.5721   8.1950  -5.9055   11.294  -0.9773   11.910   42.596   19.887   47.775   21.597 -5.179302 29.35862 
1 1 1  -36   14   38 o   97.822   25.486   37.027   13.607   0.0000   0.0000   37.027   13.607  ?   ?    97.822   25.486      ?      ? 
1 1 1  -36   14   39 o   47.770   22.447  -2.4775   14.783  -2.4775   14.783   0.0000   0.0000   47.770   22.447  ?   ?       ?      ? 
1 1 1  -36   14   40 o   41.853   14.048  -7.4064   8.4319  -9.3942   11.097  -4.6914   12.969   38.694   18.541   45.011   21.110 -6.317139 28.09640 
1 1 1  -36   14   41 o   39.309   13.068  -5.1861   7.1766  -9.1724   10.629  -1.8457   9.7295   37.390   17.976   41.229   18.971 -3.838867 26.13522 
1 1 1  -36   14   42 o   51.376   16.732   0.0095   8.5308   20.572   18.631  -5.4450   9.5958   65.342   28.382   37.409   17.731 27.93295 33.46492 
1 1 1  -36   15    1 o   67.645   13.570   11.459   5.4192   22.949   9.1269   5.2026   6.7350   86.901   19.869   48.389   18.488 38.51182 27.13994 
1 1 1  -36   15    2 o   35.206   11.460  -5.7593   5.2799 -14.4190   8.6808  -0.6749   6.6517   31.914   15.554   38.499   16.836 -6.585491 22.92093 
1 1 1  -36   15    3 o   90.881   12.017   23.763   5.5603   25.465   9.2914   22.813   6.9403   91.898   19.324   89.864   14.292 2.034554 24.03478 
1 1 1  -36   15    4 o  101.649   11.486   32.015   5.7102   21.920   8.9303   38.997   7.4269   84.925   19.821  118.373   11.611 -33.44852 22.97156 
1 1 1  -36   15    5 o  211.188   8.3890  122.394   9.5734   0.0000   0.0000  122.394   9.5734  ?   ?   211.188   8.3890      ?      ? 
1 1 1  -36   15    6 o   61.361   14.605   10.301   5.6257   13.643   9.1031   8.2357   7.1558   67.585   21.857   55.136   19.379 12.44844 29.21075 
1 1 1  -36   15    7 o  142.869   8.3806   57.406   6.2362   54.750   10.136   59.024   7.9106  139.564   13.440  146.175   10.015 -6.611359 16.76112 
1 1 1  -36   15    8 o   56.628   14.494   8.1037   5.5422   10.331   9.1661   6.8201   6.9583   61.298   21.891   51.959   19.003 9.339512 28.98850 
1 1 1  -36   15    9 o   77.294   13.867   16.629   5.7280   25.511   9.6340   11.773   7.1240   91.645   20.015   62.942   19.198 28.70317 27.73379 
1 1 1  -36   15   10 o  138.621   9.0985   55.100   6.4513   49.574   10.707   58.249   8.0834  132.143   14.995  145.099   10.310 -12.95552 18.19698 
1 1 1  -36   15   11 o   42.790   13.303  -1.2239   5.7214   1.4885   9.5224  -2.7563   7.1574   48.287   20.622   37.293   16.811 10.99335 26.60588 
1 1 1  -36   15   12 o   79.901   13.518   20.161   5.9735   12.911   9.4960   24.908   7.6843   66.239   22.359   93.563   15.199 -27.32361 27.03533 
1 1 1  -36   15   13 o   31.378   10.877 -16.1728   6.2681 -17.8289   8.8511 -14.5068   8.8778   30.407   14.998   32.349   15.758 -1.941690 21.75424 
1 1 1  -36   15   14 o   93.385   20.268   26.667   9.9343   0.0000   0.0000   26.667   9.9343  ?   ?    93.385   20.268      ?      ? 
1 1 1  -36   15   15 o   69.547   26.164   13.514   13.360   0.0000   0.0000   13.514   13.360  ?   ?    69.547   26.164      ?      ? 
1 1 1  -36   15   16 o   42.944   20.319 -11.3266   12.493   0.0000   0.0000 -11.3266   12.493  ?   ?    42.944   20.319      ?      ? 
1 1 1  -36   15   17 f   37.774   12.400  -5.9714   5.9749  -4.5065   9.2205  -7.0318   7.8447   40.754   18.647   34.794   16.350 5.959698 24.80043 
1 1 1  -36   15   18 o   72.350   14.192   14.105   6.0380   26.181   9.8567   6.8510   7.6390   92.080   20.351   52.621   19.786 39.45973 28.38431 
1 1 1  -36   15   19 o  118.221   11.759   44.541   6.5826   26.694   10.106   57.694   8.6754   92.711   20.696  143.732   11.170 -51.02090 23.51806 
1 1 1  -36   15   20 o   92.015   13.192   28.143   6.3095   15.033   9.9102   37.080   8.1821   69.622   22.823  114.408   13.235 -44.78664 26.38314 
1 1 1  -36   15   21 o  129.227   10.282   48.649   6.8756   44.569   11.166   51.142   8.7263  123.603   16.718  134.850   11.975 -11.24726 20.56420 
1 1 1  -36   15   22 o  109.307   10.933   33.176   6.2687   40.469   10.509   29.147   7.8104  117.752   16.517  100.863   14.330 16.88904 21.86668 
1 1 1  -36   15   23 o  111.099   11.156   37.568   6.1686   30.079   9.7070   42.640   7.9891   99.199   18.797  122.999   12.020 -23.79937 22.31145 
1 1 1  -36   15   24 f   41.465   12.985  -1.0484   5.7568  -3.0709   8.8619   0.4283   7.5721   40.990   18.570   41.939   18.155 -0.9494629 25.97032 
1 1 1  -36   15   25 o   99.609   11.959   28.736   6.2298   33.300   9.9145   25.758   8.0082  106.395   17.245   92.824   16.574 13.57127 23.91820 
1 1 1  -36   15   26 f   58.345   15.074   9.3625   6.0898   10.969   9.6452   8.2978   7.8530   61.570   22.395   55.119   20.183 6.450935 30.14763 
1 1 1  -36   15   27 o  131.285   9.6430   49.068   6.6686   51.306   10.775   47.679   8.4898  132.880   15.007  129.691   12.114 3.188919 19.28608 
1 1 1  -36   15   28 f   72.493   15.335   16.707   6.3460   18.816   10.233   15.389   8.0893   75.501   23.005   69.486   20.283 6.014915 30.66965 
1 1 1  -36   15   29 o  111.878   11.976   38.167   6.8307   34.305   10.658   40.858   8.8986  104.731   19.551  119.024   13.836 -14.29251 23.95150 
1 1 1  -36   15   30 o   81.314   14.934   21.848   6.6256   19.277   10.244   23.697   8.6877   75.958   22.989   86.670   19.068 -10.71239 29.86736 
1 1 1  -36   15   31 o   97.194   13.228   29.077   6.5898   34.875   10.542   25.359   8.4424  104.606   19.364   89.782   18.028 14.82439 26.45677 
1 1 1  -36   15   32 o   62.148   16.004   12.109   6.8469   14.870   10.903   10.311   8.7984   66.355   23.856   57.942   21.341 8.412609 32.00874 
1 1 1  -36   15   33 o   38.555   12.868  -7.1019   6.6904  -5.7358   11.065  -7.8893   8.4000   42.391   19.756   34.719   16.495 7.672459 25.73651 
1 1 1  -36   15   34 o   68.208   24.461   15.521   11.456   15.521   11.456   0.0000   0.0000   68.208   24.461  ?   ?       ?      ? 
1 1 1  -36   15   35 o   45.187   14.172  -1.4358   7.2745  -9.7874   11.112   4.8288   9.6236   39.653   18.877   50.720   21.142 -11.06770 28.34315 
1 1 1  -36   15   36 o   56.346   16.942   6.3417   9.4916  -2.3896   14.302   13.214   12.689   49.432   22.837   63.261   25.031 -13.82940 33.88356 
1 1 1  -36   15   37 o   48.331   15.737   0.2857   9.4366   3.6892   14.075  -2.4932   12.718   51.459   23.349   45.203   21.105 6.256283 31.47381 
1 1 1  -36   15   38 o   54.274   16.580   6.6098   9.2645  -1.3696   14.695   11.874   11.935   49.210   22.878   59.338   24.004 -10.12759 33.16042 
1 1 1  -36   15   39 o   36.179   12.610 -16.1895   8.2958 -45.5180   18.159  -8.4535   9.3260   36.718   18.579   35.640   17.056 1.078495 25.22050 
1 1 1  -36   15   40 o   31.700   11.265 -26.1011   8.3594 -26.0828   10.996 -26.1261   12.867   30.007   15.092   33.393   16.728 -3.386135 22.52985 
1 1 1  -36   16    1 o   68.314   14.273   14.071   5.5369   14.926   8.8955   13.530   7.0744   69.794   21.482   66.834   18.800 2.960274 28.54648 
1 1 1  -36   16    2 f   92.877   11.992   24.986   5.7003   28.759   9.1214   22.568   7.3018   98.211   17.845   87.543   16.026 10.66769 23.98479 
1 1 1  -36   16    3 o   61.329   18.889   11.195   6.8764   0.0000   0.0000   11.195   6.8764  ?   ?    61.329   18.889      ?      ? 
1 1 1  -36   16    4 o   83.212   12.823   22.526   5.7302   12.162   9.0912   29.357   7.3809   64.384   21.876  102.039   13.386 -37.65437 25.64663 
1 1 1  -36   16    5 o   39.164   12.233  -3.2279   5.5640 -13.6129   9.0883   2.9983   7.0370   33.418   16.202   44.911   18.334 -11.49285 24.46655 
1 1 1  -36   16    6 f   55.608   13.972   5.1416   5.7136   16.095   9.3311  -1.4287   7.2267   72.220   21.960   38.997   17.281 33.22322 27.94354 
1 1 1  -36   16    7 o   78.582   14.107   18.845   5.8855   19.337   9.5245   18.541   7.4857   78.777   21.688   78.386   18.046 0.3917007 28.21414 
1 1 1  -36   16    8 o  103.756   11.416   30.058   6.2458   35.147   10.265   27.065   7.8706  110.079   17.257   97.434   14.949 12.64540 22.83103 
1 1 1  -36   16    9 o   36.925   12.049  -5.2776   5.6668 -11.5125   9.3658  -1.6769   7.1175   35.500   17.016   38.350   17.064 -2.850765 24.09846 
1 1 1  -36   16   10 o   59.719   14.202   7.7741   5.7286   18.101   9.4403   1.7550   7.2072   76.160   21.819   43.277   18.186 32.88316 28.40450 
1 1 1  -36   16   11 o   59.109   13.797   9.7866   5.9465  -1.2915   9.8536   16.132   7.4576   45.506   20.171   72.711   18.831 -27.20461 27.59486 
1 1 1  -36   16   12 o   45.708   13.377  -2.9003   5.9077   10.051   9.5396 -10.9570   7.5242   60.659   22.240   30.757   14.871 29.90190 26.75355 
1 1 1  -36   16   13 o   64.884   16.000   12.365   6.9154   11.016   9.9253   13.637   9.6407   62.612   22.726   67.155   22.529 -4.543282 32.00045 
1 1 1  -36   16   14 o   34.774   17.372 -32.1847   13.440   0.0000   0.0000 -32.1847   13.440  ?   ?    34.774   17.372      ?      ? 
1 1 1  -36   16   15 o   93.614   26.233   29.099   13.802   0.0000   0.0000   29.099   13.802  ?   ?    93.614   26.233      ?      ? 
1 1 1  -36   16   16 o   77.171   23.349   19.022   10.568   19.022   10.568   0.0000   0.0000   77.171   23.349  ?   ?       ?      ? 
1 1 1  -36   16   17 o  128.280   9.7928   47.186   6.6077   45.303   10.480   48.429   8.5129  125.321   15.476  131.239   12.004 -5.917503 19.58570 
1 1 1  -36   16   18 o  149.110   8.7769   63.400   6.8447   59.888   10.969   65.640   8.7596  144.815   14.017  153.405   10.567 -8.590134 17.55381 
1 1 1  -36   16   19 o   65.850   15.424   13.103   6.2299   14.245   10.316   12.448   7.8161   67.932   23.301   63.768   20.215 4.163727 30.84786 
1 1 1  -36   16   20 o   73.984   14.437   15.491   6.1741   26.563   9.9917   8.6527   7.8526   92.040   20.603   55.928   20.228 36.11193 28.87309 
1 1 1  -36   16   21 o   50.815   14.252   2.9069   6.0064   11.668   9.7844  -2.3914   7.6088   63.079   22.608   38.550   17.359 24.52891 28.50397 
1 1 1  -36   16   22 o  122.443   10.469   42.295   6.8234   48.157   10.837   38.444   8.7833  128.944   15.553  115.942   14.019 13.00226 20.93863 
1 1 1  -36   16   23 o  109.948   11.287   35.072   6.5493   35.810   10.459   34.597   8.3999  110.045   17.589  109.850   14.151 0.1951065 22.57488 
1 1 1  -36   16   24 o   61.510   14.683   11.087   6.4344   2.4795   9.9718   17.227   8.4224   49.335   21.087   73.686   20.437 -24.35043 29.36578 
1 1 1  -36   16   25 o   83.630   13.580   19.969   6.4979   35.971   10.322   9.4656   8.3628  109.826   17.393   57.434   20.859 52.39270 27.15899 
1 1 1  -36   16   26 o   84.280   14.321   20.782   6.5013   33.947   10.721   13.126   8.1761  104.012   19.798   64.548   20.698 39.46397 28.64216 
1 1 1  -36   16   27 o   60.440   14.914   7.7436   6.4151   20.393   10.601   0.4361   8.0579   78.221   23.322   42.659   18.596 35.56175 29.82848 
1 1 1  -36   16   28 o   90.660   14.209   25.872   6.7208   29.795   10.391   23.051   8.8120   96.277   20.597   85.044   19.580 11.23312 28.41858 
1 1 1  -36   16   29 o   75.556   15.435   19.553   6.7448   16.198   10.358   22.023   8.8871   69.107   23.351   82.006   20.190 -12.89874 30.86957 
1 1 1  -36   16   30 o   54.202   15.141   7.7729   6.6783   3.7788   10.734   10.296   8.5306   50.627   21.765   57.777   21.054 -7.149391 30.28153 
1 1 1  -36   16   31 o   63.177   15.931   12.885   6.7881   12.186   11.000   13.314   8.6264   62.479   23.686   63.875   21.311 -1.396080 31.86218 
1 1 1  -36   16   32 o   68.253   15.205   11.324   7.2197   28.984   11.590   0.1270   9.2288   92.201   23.264   44.304   19.585 47.89709 30.41043 
1 1 1  -36   16   33 o   61.649   15.370   6.9171   7.0758   24.019   11.809  -2.6626   8.8382   82.771   24.600   40.527   18.433 42.24478 30.73949 
1 1 1  -36   16   34 o   91.783   17.657   30.555   8.9816   31.039   12.184   29.977   13.292   93.634   23.977   89.931   25.927 3.703499 35.31445 
1 1 1  -36   16   35 o   60.865   17.636   12.502   9.3748   18.741   13.834   7.2050   12.748   67.709   26.331   54.021   23.470 13.68829 35.27265 
1 1 1  -36   16   36 o   61.626   17.443   13.979   9.2946   6.3919   14.359   19.450   12.194   54.131   24.150   69.120   25.175 -14.98965 34.88550 
1 1 1  -36   16   37 o   50.629   15.676   4.3842   8.0406  -0.5689   14.429   6.6149   9.6834   49.913   23.017   51.345   21.289 -1.431881 31.35277 
1 1 1  -36   16   38 o   55.505   15.906   9.6400   7.2638   11.859   11.702   8.2491   9.2649   58.573   23.743   52.437   21.171 6.136230 31.81106 
1 1 1  -36   16   39 o   35.885   12.115  -9.9776   7.1059 -26.2059   11.608  -0.2522   8.9863   30.962   15.562   40.808   18.570 -9.845938 24.22909 
1 1 1  -36   17    1 o   71.185   13.774   16.342   5.6945   9.8430   9.1168   20.499   7.2919   59.681   21.763   82.689   16.890 -23.00828 27.54803 
1 1 1  -36   17    2 o   69.965   14.433   13.830   5.7672   21.428   9.5502   9.4692   7.2354   82.597   21.269   57.334   19.516 25.26300 28.86594 
1 1 1  -36   17    3 o   96.448   11.975   26.241   5.9912   34.961   9.6641   20.798   7.6355  109.873   16.277   83.024   17.568 26.84928 23.94934 
1 1 1  -36   17    4 o   66.683   14.755   13.220   5.8086   16.042   9.2830   11.404   7.4466   71.677   21.926   61.688   19.750 9.989624 29.50910 
1 1 1  -36   17    5 o   46.788   13.572   2.2875   5.4435   7.0694   8.8128  -0.6625   6.9218   54.585   21.074   38.991   17.109 15.59432 27.14490 
1 1 1  -36   17    6 f   49.683   14.114   4.4903   5.6187   6.0638   9.2660   3.5753   7.0660   53.648   21.339   45.719   18.479 7.929127 28.22782 
1 1 1  -36   17    7 o   65.635   13.981   13.645   5.8797   5.0536   9.6607   18.699   7.4102   52.781   21.506   78.490   17.872 -25.70971 27.96284 
1 1 1  -36   17    8 o   82.133   13.890   20.558   5.9221   21.919   9.7806   19.770   7.4412   83.383   21.551   80.883   17.531 2.500542 27.78091 
1 1 1  -36   17    9 o   41.057   13.023  -2.0526   5.7856  -1.6833   9.5387  -2.2675   7.2770   44.191   19.702   37.924   17.036 6.267925 26.04629 
1 1 1  -36   17   10 o  124.444   10.261   44.873   6.5597   42.184   10.908   46.396   8.2100  120.323   16.778  128.565   11.818 -8.241982 20.52180 
1 1 1  -36   17   11 o   51.410   14.544   4.7734   5.9498   8.1542   9.8423   2.8263   7.4691   57.542   22.256   45.278   18.729 12.26402 29.08765 
1 1 1  -36   17   12 o   49.566   14.601   2.3675   6.5189   7.6168   10.121  -1.3541   8.5221   57.015   22.420   42.117   18.709 14.89789 29.20138 
1 1 1  -36   17   13 o   70.338   18.183   9.5571   12.021 -28.1982   20.599   29.054   14.803   48.502   23.708   92.174   27.576 -43.67244 36.36661 
1 1 1  -36   17   14 o   99.203   26.210   33.086   14.261   0.0000   0.0000   33.086   14.261  ?   ?    99.203   26.210      ?      ? 
1 1 1  -36   17   15 o   45.791   14.007   0.2964   6.2718   4.0319   9.9441  -2.1711   8.0820   51.558   21.492   40.024   17.969 11.53386 28.01353 
1 1 1  -36   17   16 o  146.591   9.0935   59.479   7.1023   70.019   11.253   52.501   9.1563  156.900   13.273  136.281   12.434 20.61949 18.18701 
1 1 1  -36   17   17 o  121.145   10.625   39.501   6.7151   57.147   11.236   29.696   8.3756  140.929   14.754  101.360   15.292 39.56854 21.24908 
1 1 1  -36   17   18 o  101.647   13.233   31.174   6.9006   31.348   11.129   31.066   8.7954   99.799   21.286  103.494   15.727 -3.695412 26.46603 
1 1 1  -36   17   19 o   94.442   13.569   26.917   6.5686   30.384   10.531   24.709   8.4036   98.707   20.418   90.177   17.878 8.530647 27.13827 
1 1 1  -36   17   20 o   67.832   15.608   13.879   6.4541   17.634   10.343   11.483   8.2596   73.950   23.230   61.714   20.852 12.23595 31.21624 
1 1 1  -36   17   21 o   87.833   13.652   21.764   6.4651   36.329   10.689   13.362   8.1185  110.300   17.934   65.365   20.589 44.93496 27.30459 
1 1 1  -36   17   22 o  151.891   9.0906   65.274   7.3160   68.898   11.656   62.917   9.3978  154.617   13.951  149.166   11.659 5.450165 18.18121 
1 1 1  -36   17   23 f   55.699   15.383   7.4565   6.5121   10.259   10.713   5.8142   8.2013   60.643   23.282   50.755   20.111 9.888802 30.76539 
1 1 1  -36   17   24 f   41.757   13.519  -4.0253   6.5742  -0.9097   10.911  -5.8011   8.2374   47.062   21.020   36.451   17.007 10.61076 27.03875 
1 1 1  -36   17   25 o   46.874   13.852  -4.2375   6.5572   12.210   10.532 -14.6492   8.3794   63.349   23.347   30.399   14.914 32.95058 27.70338 
1 1 1  -36   17   26 o  108.531   13.128   38.658   7.0152   28.230   11.136   45.521   9.0331   91.671   22.619  125.392   13.332 -33.72064 26.25558 
1 1 1  -36   17   27 o   42.436   13.322  -1.8008   6.5189 -10.7167   10.238   4.2781   8.4541   36.982   17.744   47.890   19.877 -10.90832 26.64445 
1 1 1  -36   17   28 o   59.848   15.779   11.150   6.9286   8.2175   10.823   13.185   9.0187   56.334   22.835   63.362   21.784 -7.027542 31.55889 
1 1 1  -36   17   29 o   50.255   14.965   4.0205   6.8498   6.8616   10.622   1.9980   8.9623   54.628   22.438   45.882   19.806 8.745483 29.92927 
1 1 1  -36   17   30 o   83.421   13.715   25.431   7.0029   6.6813   11.552   36.325   8.8052   55.688   23.185  111.153   14.660 -55.46476 27.43067 
1 1 1  -36   17   31 o   78.857   16.281   21.434   7.3311   19.631   11.908   22.535   9.3032   74.932   25.039   82.782   20.818 -7.849686 32.56264 
1 1 1  -36   17   32 o   76.170   17.747   21.301   8.6230   24.397   11.585   17.455   12.913   82.385   24.337   69.954   25.838 12.43103 35.49491 
1 1 1  -36   17   33 o   58.574   17.192   8.7942   9.1762   20.383   14.261   0.6070   11.987   69.967   26.863   47.181   21.462 22.78542 34.38330 
1 1 1  -36   17   34 o   50.825   16.168   3.9508   9.3233   2.4324   13.630   5.2860   12.781   50.004   22.800   51.647   22.929 -1.642864 32.33540 
1 1 1  -36   17   35 o  115.970   15.481   46.084   8.7999   48.086   15.580   45.147   10.664  111.711   26.254  120.230   16.414 -8.518715 30.96257 
1 1 1  -36   17   36 f   49.009   14.989   4.4567   7.3577   0.3825   11.890   6.9851   9.3666   46.930   21.358   51.087   21.037 -4.156689 29.97892 
1 1 1  -36   17   37 o   46.364   14.392   3.6604   6.9887   0.0432   11.235   5.9432   8.9256   44.630   20.481   48.098   20.226 -3.467888 28.78495 
1 1 1  -36   18    1 o  123.821   9.6586   42.800   6.3615   49.096   10.137   38.709   8.1708  130.839   14.338  116.803   12.946 14.03615 19.31723 
1 1 1  -36   18    2 o   57.590   13.315   7.8550   6.1043  -6.6814   9.5534   17.885   7.9356   39.330   18.338   75.850   19.311 -36.52028 26.63097 
1 1 1  -36   18    3 o   65.913   13.760   13.961   5.8779   4.1281   9.6323   19.795   7.4195   51.145   21.222   80.682   17.520 -29.53722 27.51919 
1 1 1  -36   18    4 o   70.191   14.037   12.736   5.8959   26.123   9.8786   5.3291   7.3481   91.314   20.520   49.067   19.160 42.24742 28.07429 
1 1 1  -36   18    5 o   50.452   14.192   4.8444   6.0689  -0.8403   9.5949   8.6353   7.8354   45.021   19.933   55.883   20.206 -10.86212 28.38325 
1 1 1  -36   18    6 o   96.982   12.083   28.181   6.0309   26.895   9.4772   29.056   7.8183   93.322   19.425  100.643   14.376 -7.320618 24.16635 
1 1 1  -36   18    7 o   64.625   14.887   12.928   5.9747   10.853   9.5840   14.247   7.6412   61.500   22.331   67.750   19.695 -6.250309 29.77480 
1 1 1  -36   18    8 o   66.608   14.815   14.028   6.0679   10.141   9.7514   16.484   7.7514   60.417   22.426   72.799   19.366 -12.38267 29.63083 
1 1 1  -36   18    9 o   46.753   13.432   1.7290   6.0491  -9.4145   9.7649   8.6680   7.7056   37.697   17.873   55.809   20.057 -18.11137 26.86492 
1 1 1  -36   18   10 o   39.325   12.670  -3.5583   5.9340  -7.0878   9.4466  -1.2578   7.6265   38.729   18.117   39.920   17.718 -1.191502 25.34071 
1 1 1  -36   18   11 o   53.376   17.038   0.6243   8.6029  -7.5541   20.760   2.3198   9.4528   58.300   27.133   48.452   20.616 9.848389 34.07676 
1 1 1  -36   18   12 o   67.823   29.617   6.9324   20.519   6.9324   20.519   0.0000   0.0000   67.823   29.617  ?   ?       ?      ? 
1 1 1  -36   18   13 o  104.504   26.360   36.757   14.884   0.0000   0.0000   36.757   14.884  ?   ?   104.504   26.360      ?      ? 
1 1 1  -36   18   14 o   71.350   15.576   15.446   6.4853   19.806   10.509   12.763   8.2421   78.232   23.196   64.467   20.793 13.76554 31.15111 
1 1 1  -36   18   15 o   55.142   14.911   6.0421   6.3983   13.283   9.9543   0.9444   8.3522   65.925   22.873   44.358   19.135 21.56694 29.82164 
1 1 1  -36   18   16 o   74.123   14.909   18.021   6.4037   13.042   10.235   21.224   8.2091   65.459   23.159   82.787   18.781 -17.32813 29.81711 
1 1 1  -36   18   17 o   75.238   14.155   14.646   6.6514   33.095   10.818   3.4341   8.4338  102.764   20.202   47.712   19.832 55.05188 28.30991 
1 1 1  -36   18   18 o   72.405   15.443   16.725   6.4167   17.990   10.393   15.946   8.1573   74.014   23.292   70.796   20.283 3.218163 30.88555 
1 1 1  -36   18   19 o   94.783   13.030   26.235   6.4474   35.651   10.416   20.387   8.2090  109.080   17.672   80.486   19.152 28.59341 26.05939 
1 1 1  -36   18   20 o   46.247   14.177   1.1531   6.4152   2.8232   10.197   0.0592   8.2530   49.837   21.313   42.657   18.701 7.180229 28.35456 
1 1 1  -36   18   21 o   44.631   13.842   0.1561   6.4574  -5.0264   10.672   3.1498   8.1108   42.808   19.759   46.454   19.391 -3.646774 27.68451 
1 1 1  -36   18   22 o   67.699   15.052   15.217   6.5702   7.8030   10.670   19.745   8.3386   56.750   22.788   78.648   19.671 -21.89745 30.10389 
1 1 1  -36   18   23 o   85.204   15.331   24.892   7.1143   19.959   11.409   28.031   9.1005   75.947   24.459   94.461   18.491 -18.51404 30.66215 
1 1 1  -36   18   24 o   52.016   13.837   4.0447   6.7723 -13.8530   10.966   15.081   8.6107   36.675   17.784   67.358   21.202 -30.68274 27.67352 
1 1 1  -36   18   25 o   81.722   15.861   22.490   7.0575   25.120   11.500   20.902   8.9386   84.236   24.066   79.208   20.666 5.028023 31.72157 
1 1 1  -36   18   26 o   52.276   14.835   1.3008   6.8839   16.133   11.339  -7.3561   8.6629   68.781   24.371   35.771   16.923 33.00953 29.67093 
1 1 1  -36   18   27 o   36.889   12.491  -9.9646   6.8893  -9.1671   10.946 -10.4877   8.8655   39.728   18.861   34.050   16.382 5.677715 24.98230 
1 1 1  -36   18   28 o  102.784   14.061   34.314   7.4170   29.602   11.675   37.503   9.6040   93.339   23.238  112.229   15.837 -18.88937 28.12120 
1 1 1  -36   18   29 o   33.126   11.492 -15.5755   6.8853 -19.5595   11.143 -13.1149   8.7571   34.196   16.859   32.056   15.623 2.140068 22.98482 
1 1 1  -36   18   30 f   55.868   16.163   7.8611   7.9772   2.9517   11.657   12.185   10.940   50.437   22.166   61.299   23.529 -10.86178 32.32562 
1 1 1  -36   18   31 o   46.797   15.298  -1.1218   9.1607  -5.1261   13.929   1.9302   12.161   45.322   21.447   48.271   21.822 -2.949398 30.59692 
1 1 1  -36   18   32 o   63.008   17.862   15.415   9.4165   11.626   14.342   18.286   12.485   58.928   25.241   67.088   25.281 -8.160210 35.72454 
1 1 1  -36   18   33 f   89.608   18.410   32.551   9.8503   24.527   14.694   39.099   13.274   76.476   27.668  102.739   24.293 -26.26307 36.81966 
1 1 1  -36   18   34 o   38.872   13.041  -6.4662   7.2042  -7.0419   11.518  -6.0961   9.2334   40.721   19.337   37.023   17.502 3.697693 26.08160 
1 1 1  -36   18   35 o   44.675   14.342   0.4269   7.1707   5.2284   12.054  -2.2029   8.9208   50.339   22.312   39.012   18.028 11.32628 28.68480 
1 1 1  -36   19    1 f   87.768   13.762   24.176   6.2338   23.008   10.016   24.914   7.9644   84.604   21.779   90.932   16.829 -6.328148 27.52323 
1 1 1  -36   19    2 o   62.740   15.252   11.929   6.2279   10.822   9.7932   12.680   8.0699   61.390   22.530   64.089   20.564 -2.699245 30.50367 
1 1 1  -36   19    3 o   79.118   14.395   20.233   6.1382   17.179   10.084   22.031   7.7368   73.098   22.933   85.139   17.404 -12.04179 28.78973 
1 1 1  -36   19    4 o   55.968   15.069   7.9294   6.2170   9.4336   9.7959   6.9149   8.0449   59.119   22.367   52.816   20.200 6.303261 30.13795 
1 1 1  -36   19    5 o   74.357   14.812   17.320   6.0973   18.673   9.7733   16.458   7.8018   76.157   22.313   72.557   19.486 3.600060 29.62382 
1 1 1  -36   19    6 o   74.246   14.459   15.326   6.3472   28.399   10.280   7.2718   8.0691   95.023   20.613   53.468   20.282 41.55516 28.91841 
1 1 1  -36   19    7 o   46.613   13.915   0.7128   6.1238   7.2870   9.5493  -3.8795   7.9810   55.389   21.779   37.837   17.326 17.55188 27.83008 
1 1 1  -36   19    8 o   35.235   11.845 -10.6536   6.4218 -21.0755   10.221  -3.8559   8.2546   31.921   15.812   38.549   17.640 -6.627077 23.68988 
1 1 1  -36   19    9 o   56.160   14.993   8.1556   6.4965   2.4947   10.367   11.815   8.3360   50.076   21.455   62.245   20.949 -12.16835 29.98614 
1 1 1  -36   19   10 o   46.052   15.044  -3.1454   7.8579 -32.8829   20.746   1.8355   8.4905   46.484   22.933   45.620   19.477 0.8637238 30.08826 
1 1 1  -36   19   11 o   60.748   27.860  -1.9619   20.743  -1.9619   20.743   0.0000   0.0000   60.748   27.860  ?   ?       ?      ? 
1 1 1  -36   19   12 o   64.800   26.468   10.669   14.677   0.0000   0.0000   10.669   14.677  ?   ?    64.800   26.468      ?      ? 
1 1 1  -36   19   13 o   46.661   14.618   0.1174   6.8581   0.0920   12.246   0.1290   8.2780   50.482   22.427   42.841   18.757 7.641666 29.23630 
1 1 1  -36   19   14 f   88.804   14.906   24.458   7.0361   32.931   11.047   18.675   9.1266  101.708   20.802   75.899   21.354 25.80886 29.81166 
1 1 1  -36   19   15 o   50.326   14.914   3.0106   6.7901   8.0194   10.683  -0.3847   8.7953   57.320   22.877   43.331   19.139 13.98895 29.82718 
1 1 1  -36   19   16 o  174.090   8.5049   86.740   7.8163   82.399   12.239   89.731   10.158  169.386   13.371  178.794   10.514 -9.407852 17.00972 
1 1 1  -36   19   17 o   47.133   14.386   1.5680   6.7639  -2.2955   10.535   4.2777   8.8226   44.938   20.313   49.328   20.376 -4.389702 28.77158 
1 1 1  -36   19   18 o   60.865   15.450   9.2424   6.8155   18.695   10.621   2.6251   8.8864   74.683   23.553   47.046   20.002 27.63678 30.90009 
1 1 1  -36   19   19 o   53.681   14.335   6.1639   6.6591  -6.1112   10.645   14.057   8.5356   41.509   19.355   65.854   21.151 -24.34556 28.67065 
1 1 1  -36   19   20 o   42.947   13.495  -1.7045   6.6499 -10.1669   10.442   4.0684   8.6249   37.887   18.109   48.007   20.014 -10.11987 26.99031 
1 1 1  -36   19   21 o   51.960   15.040   6.0174   6.7964   3.2061   10.282   8.1988   9.0573   49.326   21.254   54.594   21.284 -5.267807 30.07917 
1 1 1  -36   19   22 o   47.666   14.352   2.6455   6.7687  -3.9295   10.744   6.9727   8.7159   43.051   19.856   52.282   20.727 -9.230862 28.70301 
1 1 1  -36   19   23 o   40.908   13.414  -4.8406   6.7723  -2.0291   11.170  -6.4746   8.5159   45.675   20.754   36.140   17.000 9.534267 26.82762 
1 1 1  -36   19   26 o   35.548   12.143 -12.7114   7.1303 -22.3124   11.817  -7.2142   8.9416   34.429   17.045   36.666   17.300 -2.237637 24.28591 
1 1 1  -36   19   27 o   40.934   13.154 -12.3110   6.9691   7.6198   10.752 -26.7518   9.1520   55.251   22.621   26.616   13.434 28.63561 26.30882 
1 1 1  -36   19   28 o   61.590   17.149   13.249   8.3905   13.828   11.644   12.624   12.101   62.379   24.184   60.802   24.320 1.577751 34.29794 
1 1 1  -36   19   29 o   45.858   15.053  -5.2469   9.0771   8.6036   13.871 -15.6194   12.004   55.458   24.280   36.258   17.801 19.20050 30.10646 
1 1 1  -36   19   30 f  107.514   17.562   42.250   9.9420   57.117   15.842   32.590   12.770  123.635   24.579   91.393   25.092 32.24143 35.12452 
1 1 1  -36   19   31 o   86.846   18.580   30.895   9.7916   24.550   15.125   35.473   12.847   76.215   27.995   97.476   24.436 -21.26064 37.15969 
1 1 1  -36   19   32 o   51.942   15.428   5.2587   7.2773   13.975   11.874   0.0153   9.2096   61.631   24.269   42.254   19.056 19.37674 30.85637 
1 1 1  -36   19   33 o   49.338   15.100   5.8014   7.3227   5.0327   11.710   6.2950   9.3837   49.708   22.014   48.968   20.673 0.7395477 30.19913 
1 1 1  -36   20    1 o   83.569   13.726   22.875   6.2965   15.353   9.7306   28.293   8.2585   68.923   22.617   98.214   15.561 -29.29105 27.45289 
1 1 1  -36   20    2 o   73.906   15.332   17.800   6.4852   17.183   10.090   18.235   8.4654   72.366   22.970   75.446   20.313 -3.080215 30.66382 
1 1 1  -36   20    3 f   63.670   15.385   12.001   6.2701   16.247   10.062   9.3048   8.0172   70.603   22.990   56.737   20.451 13.86627 30.76978 
1 1 1  -36   20    4 o   70.062   15.344   16.075   6.4284   13.472   10.414   17.677   8.1709   65.646   23.346   74.477   19.917 -8.830948 30.68706 
1 1 1  -36   20    5 o   57.727   15.508   9.0148   6.6137   10.410   10.170   7.9927   8.7059   60.416   22.806   55.038   21.022 5.378075 31.01693 
1 1 1  -36   20    6 o   88.138   14.389   24.965   6.7091   22.731   9.9654   26.817   9.0733   83.431   21.847   92.845   18.731 -9.414558 28.77714 
1 1 1  -36   20    7 o   77.069   15.670   18.623   6.9299   25.901   10.811   13.546   9.0289   88.710   22.514   65.429   21.801 23.28092 31.34000 
1 1 1  -36   20    8 o  170.871   8.6718   83.865   7.9115   75.890   11.729   90.523   10.717  162.545   13.353  179.198   11.067 -16.65337 17.34360 
1 1 1  -36   20    9 o   48.676   16.782 -21.5785   13.570 -22.7252   22.786 -20.9482   16.893   52.510   25.503   44.842   21.820 7.668732 33.56372 
1 1 1  -36   20   10 o   77.318   32.518   19.329   23.075   19.329   23.075   0.0000   0.0000   77.318   32.518  ?   ?       ?      ? 
1 1 1  -36   20   11 o   46.306   15.378  -6.3170   8.7855  -5.6177   10.315  -8.1644   16.766   41.453   19.236   51.160   23.997 -9.707722 30.75534 
1 1 1  -36   20   12 f   94.237   14.847   26.542   7.2840   40.968   12.156   18.460   9.0983  113.411   20.594   75.063   21.392 38.34820 29.69393 
1 1 1  -36   20   13 f   53.197   15.340   6.2334   6.9262   4.3443   11.020   7.4669   8.9049   52.459   22.288   53.935   21.083 -1.476116 30.68014 
1 1 1  -36   20   14 o   63.130   14.826   8.5972   7.0689   24.806   10.840  -3.3956   9.3243   85.360   22.988   40.899   18.728 44.46011 29.65115 
1 1 1  -36   20   15 o   89.544   15.563   26.855   7.4018   27.732   11.492   26.233   9.6763   89.594   23.460   89.494   20.455 0.9971619E-01 31.12537 
1 1 1  -36   20   16 o   81.136   15.842   22.096   7.0568   25.256   11.244   20.043   9.0640   84.953   23.633   77.319   21.104 7.634132 31.68426 
1 1 1  -36   20   17 o   50.049   14.856   4.3276   6.7142   7.0224   10.420   2.4141   8.7801   54.262   22.248   45.837   19.694 8.425591 29.71258 
1 1 1  -36   20   18 o   65.531   16.058   14.129   6.8462   15.712   10.725   13.041   8.8938   67.920   23.733   63.143   21.636 4.776806 32.11500 
1 1 1  -36   20   19 o   60.974   15.465   8.6075   6.9824   21.279   11.188   0.5243   8.9362   77.924   24.110   44.023   19.376 33.90095 30.93075 
1 1 1  -36   20   20 o   40.679   19.076  -6.7850   10.583  -6.7850   10.583   0.0000   0.0000   40.679   19.076  ?   ?       ?      ? 
1 1 1  -36   20   21 o   58.328   15.866   9.7165   7.1202   7.0021   10.901   11.736   9.4034   55.341   22.731   61.315   22.141 -5.973972 31.73191 
1 1 1  -36   20   22 f   91.129   23.471   28.380   11.628   28.380   11.628   0.0000   0.0000   91.129   23.471  ?   ?       ?      ? 
1 1 1  -36   20   23 o   34.236   11.931 -18.0214   7.3164 -12.5916   11.812 -21.4018   9.3197   39.264   18.895   29.208   14.572 10.05577 23.86137 
1 1 1  -36   20   24 o   50.786   15.281   4.5476   7.1272   5.5006   11.788   3.9985   8.9480   53.620   22.923   47.952   20.213 5.667919 30.56183 
1 1 1  -36   20   25 o   44.439   14.175  -2.6636   7.2278   7.3901   11.491  -9.2460   9.2975   53.862   22.815   35.017   16.829 18.84497 28.35084 
1 1 1  -36   20   26 o   71.853   17.730   21.621   9.3761   10.739   14.227   29.977   12.467   57.754   24.943   85.952   25.205 -28.19808 35.46063 
1 1 1  -36   20   27 o   41.814   14.161  -8.3758   9.0617  -9.4887   13.839  -7.5405   11.989   42.678   20.517   40.950   19.526 1.727589 28.32294 
1 1 1  -36   20   28 o   80.529   19.062   25.887   9.7658   33.108   14.972   20.541   12.884   89.016   27.948   72.041   25.930 16.97549 38.12421 
1 1 1  -36   20   29 o   70.330   17.338   17.661   9.3645   3.5495   13.356   31.306   13.133   51.694   23.161   88.966   25.808 -37.27153 34.67690 
1 1 1  -36   20   30 o   67.146   16.644   17.352   7.3700   20.895   11.540   14.913   9.5776   71.444   24.637   62.848   22.385 8.596470 33.28745 
1 1 1  -36   20   31 o   50.169   15.302   6.5372   7.4900   6.5283   11.601   6.5436   9.8082   50.889   22.244   49.449   21.019 1.440636 30.60400 
1 1 1  -36   21    1 o   47.607   14.359   3.1002   6.5036   4.6201   9.5778   1.7998   8.8592   49.994   20.984   45.219   19.606 4.774422 28.71809 
1 1 1  -36   21    2 o   35.409   11.961 -12.9007   6.4703  -1.2427   9.7751 -21.9912   8.6318   43.612   19.654   27.205   13.639 16.40695 23.92293 
1 1 1  -36   21    3 o   70.016   15.859   16.005   6.7279   21.189   10.680   12.594   8.6630   77.829   23.455   62.204   21.352 15.62531 31.71818 
1 1 1  -36   21    4 o   49.764   14.746   2.1959   6.8988   10.943   10.708  -4.0115   9.0203   60.143   23.227   39.385   18.175 20.75708 29.49278 
1 1 1  -36   21    5 o  154.518   9.5927   70.425   7.8804   65.322   11.952   74.349   10.481  148.295   14.916  160.741   12.067 -12.44597 19.18549 
1 1 1  -36   21    6 o   59.766   14.806   8.5466   7.0446   20.788   10.017  -3.4296   9.9085   77.715   22.538   41.817   19.206 35.89845 29.61166 
1 1 1  -36   21    7 o   42.399   14.235  -9.7548   8.9354 -70.1126   23.843   0.1076   9.6378   40.060   20.375   44.739   19.884 -4.678440 28.46938 
1 1 1  -36   21    8 o   66.487   20.745   11.088   14.108   11.466   24.121   10.892   17.394   68.572   30.890   64.402   27.697 4.170242 41.48907 
1 1 1  -36   21    9 o  147.995   33.121   89.302   25.826   89.302   25.826   0.0000   0.0000  147.995   33.121  ?   ?       ?      ? 
1 1 1  -36   21   10 o   70.323   16.999   17.387   8.2623   22.652   10.738   9.7455   12.936   80.546   23.328   60.101   24.733 20.44506 33.99828 
1 1 1  -36   21   11 f   49.816   15.203   3.2608   7.4294   2.5248   11.289   3.8232   9.8675   50.152   21.932   49.480   21.058 0.6712608 30.40504 
1 1 1  -36   21   12 o   49.684   13.792  -2.6789   7.2355 -24.0067   10.626   15.761   9.8801   31.080   15.514   68.289   22.807 -37.20930 27.58361 
1 1 1  -36   21   13 o   58.827   15.137   9.1830   7.1240  -1.3542   10.659   17.690   9.5772   45.375   20.479   72.280   22.297 -26.90468 30.27456 
1 1 1  -36   21   14 o   69.538   15.907   14.396   7.3329   26.031   11.324   5.9945   9.6229   86.824   23.543   52.252   21.397 34.57148 31.81394 
1 1 1  -36   21   15 o   44.694   19.749   0.2488   9.3723   0.0000   0.0000   0.2488   9.3723  ?   ?    44.694   19.749      ?      ? 
1 1 1  -36   21   16 f   53.607   15.270   5.3945   7.4879  -4.8428   11.725   12.445   9.7304   44.529   20.609   62.685   22.537 -18.15562 30.53968 
1 1 1  -36   21   17 o  117.017   18.986   42.418   12.005   42.418   12.005   0.0000   0.0000  117.017   18.986  ?   ?       ?      ? 
1 1 1  -36   21   18 o   60.151   16.345   9.4015   7.7138   16.617   11.554   3.5989   10.361   69.969   24.621   50.333   21.504 19.63620 32.68976 
1 1 1  -36   21   19 o   61.103   23.768   11.193   11.274   11.193   11.274   0.0000   0.0000   61.103   23.768  ?   ?       ?      ? 
1 1 1  -36   21   20 o   54.626   15.288   6.8822   7.3518  -2.2867   11.143   13.950   9.7833   44.922   20.534   64.331   22.654 -19.40853 30.57565 
1 1 1  -36   21   21 o   76.010   16.226   21.492   7.4027   17.176   11.150   24.894   9.8990   68.013   24.160   84.006   21.666 -15.99288 32.45168 
1 1 1  -36   21   22 o   52.156   14.132  -4.2732   7.3799   23.046   11.397 -24.0025   9.6848   76.074   24.441   28.238   14.196 47.83674 28.26453 
1 1 1  -36   21   23 o   52.835   15.342   1.1127   8.2777 -14.8314   11.138   20.782   12.371   35.066   17.201   70.603   25.409 -35.53782 30.68415 
1 1 1  -36   21   24 o   44.028   14.590  -4.4565   8.7801  -7.7793   12.713  -1.4264   12.140   42.238   20.131   45.819   21.123 -3.580536 29.17931 
1 1 1  -36   21   25 o   80.797   18.323   24.713   9.4954   37.590   14.493   15.027   12.569   97.357   26.732   64.236   25.065 33.12167 36.64510 
1 1 1  -36   21   26 o   89.201   18.871   32.016   9.7879   36.892   14.651   28.086   13.154   95.076   27.164   83.327   26.201 11.74846 37.74119 
1 1 1  -36   21   27 o   55.015   16.453   5.1601   8.2392   20.818   14.394  -2.4708   10.048   68.990   26.849   41.040   19.024 27.94966 32.90602 
1 1 1  -36   21   28 o   47.662   21.287   3.6363   11.186   3.6363   11.186   0.0000   0.0000   47.662   21.287  ?   ?       ?      ? 
1 1 1  -36   22    1 o  139.685   10.438   56.883   7.6251   77.231   11.351   40.150   10.293  163.678   12.834  115.693   16.465 47.98444 20.87591 
1 1 1  -36   22    2 o  106.367   13.464   35.356   7.4665   44.396   10.887   27.328   10.260  121.569   16.572   91.165   21.223 30.40470 26.92735 
1 1 1  -36   22    3 o  110.225   13.536   37.701   7.7679   47.878   11.534   29.253   10.509  125.951   16.946   94.499   21.112 31.45144 27.07175 
1 1 1  -36   22    4 o   72.995   16.699   18.148   7.5007   18.555   11.049   17.800   10.215   73.501   24.100   72.490   23.123 1.011520 33.39880 
1 1 1  -36   22    5 o   64.796   16.683   13.478   7.6972   10.163   11.565   16.114   10.313   60.268   23.881   69.325   23.301 -9.056984 33.36552 
1 1 1  -36   22    6 o   99.064   20.472   29.225   14.414   75.631   23.159  -0.1218   18.417  140.443   31.314   57.685   26.380 82.75822 40.94464 
1 1 1  -36   22    7 o   82.730   22.070   26.317   13.295   31.419   20.761   22.770   17.310   87.244   32.655   78.216   29.698 9.027885 44.14029 
1 1 1  -36   22    8 f   88.859   22.281   26.463   10.679   26.463   10.679   0.0000   0.0000   88.859   22.281  ?   ?       ?      ? 
1 1 1  -36   22    9 o  101.042   14.791   29.543   8.7792   8.5803   11.136   63.964   14.270   57.737   23.246  144.346   18.295 -86.60917 29.58202 
1 1 1  -36   22   10 o   49.539   15.290   1.3096   7.9646  -4.6104   11.848   6.1904   10.758   44.950   20.773   54.128   22.441 -9.178730 30.57964 
1 1 1  -36   22   11 o   59.052   16.517   7.8268   8.0946   16.678   12.317   1.0976   10.739   69.996   25.330   48.108   21.204 21.88702 33.03411 
1 1 1  -36   22   12 o   44.451   14.245  -2.5442   7.4872  -6.6242   10.644   1.4516   10.534   40.878   19.157   48.025   21.089 -7.147343 28.49074 
1 1 1  -36   22   13 o   77.336   16.865   21.148   7.9014   17.014   11.550   24.785   10.833   70.008   24.619   84.664   23.056 -14.65675 33.72940 
1 1 1  -36   22   14 o   48.902   15.042   2.3285   7.4958   5.7749   10.759  -0.9223   10.449   52.803   22.206   45.002   20.297 7.800896 30.08407 
1 1 1  -36   22   15 o   51.575   15.498   5.2468   7.5310   6.8796   11.019   3.8156   10.316   53.832   22.547   49.317   21.270 4.515022 30.99640 
1 1 1  -36   22   16 o   49.156   14.617   1.9140   7.5399 -11.0406   11.189   12.691   10.205   37.799   18.240   60.514   22.845 -22.71511 29.23335 
1 1 1  -36   22   17 o   61.258   16.347   13.817   7.4021   12.626   11.380   14.690   9.7452   59.549   23.660   62.968   22.563 -3.419197 32.69430 
1 1 1  -36   22   18 o   37.493   12.625  -7.8932   7.2392 -15.6844   11.171  -2.2530   9.5050   34.693   17.061   40.292   18.616 -5.599033 25.25096 
1 1 1  -36   22   19 o   58.317   15.920   11.935   7.3905   6.9593   11.402   15.539   9.7051   52.311   22.459   64.323   22.570 -12.01141 31.84042 
1 1 1  -36   22   20 o   48.809   15.261   1.5602   8.3447   8.9366   11.424  -6.8784   12.219   55.500   23.077   42.117   19.976 13.38277 30.52153 
1 1 1  -36   22   21 o   46.314   14.806  -6.2542   8.9461 -24.5270   13.052   9.9369   12.286   34.989   17.421   57.639   23.946 -22.65082 29.61274 
1 1 1  -36   22   22 o   65.638   17.167   12.505   9.1495   29.189   13.751  -0.7480   12.256   84.488   26.816   46.789   21.442 37.69944 34.33471 
1 1 1  -36   22   23 o   47.302   15.417  -0.2686   9.1205  -1.2268   13.615   0.5115   12.285   47.464   22.051   47.141   21.553 0.3223495 30.83470 
1 1 1  -36   22   24 o   38.082   13.030  -9.3361   7.7742  -8.7523   13.063  -9.6563   9.6738   41.285   19.868   34.879   16.863 6.405277 26.05982 
1 1 1  -36   22   25 o   42.956   13.877   0.0412   7.2153  -2.4466   10.901   1.9810   9.6257   41.901   19.555   44.012   19.694 -2.110394 27.75358 
1 1 1  -36   23    1 o   51.293   13.960   3.4162   6.7720   17.621   9.5771 -10.7879   9.5769   68.323   22.438   34.263   16.616 34.06067 27.92090 
1 1 1  -36   23    2 o   51.983   14.915   7.4446   6.6046   4.0883   8.9486   11.460   9.7883   46.399   19.908   57.567   22.214 -11.16776 29.82922 
1 1 1  -36   23    3 o   49.904   14.637   4.7541   7.0024   12.390   9.7795  -3.2798   10.031   59.162   22.356   40.646   18.898 18.51596 29.27355 
1 1 1  -36   23    4 o   57.684   17.610   10.126   9.4962   1.7795   21.412   12.170   10.595   56.420   26.666   58.948   23.010 -2.528446 35.22084 
1 1 1  -36   23    5 o   67.738   20.423   19.789   13.391   14.381   19.964   24.212   18.055   63.391   28.365   72.085   29.390 -8.694157 40.84549 
1 1 1  -36   23    6 o   59.280   19.180   8.3751   14.066   0.3333   21.695   14.207   18.476   55.758   26.496   62.802   27.740 -7.043678 38.36026 
1 1 1  -36   23    7 o   37.258   12.560 -10.9412   7.2968   0.3046   10.335 -22.1184   10.303   44.242   20.048   30.275   15.137 13.96707 25.12070 
1 1 1  -36   23    8 o   57.771   16.577   10.233   7.9983   5.4847   10.237   17.673   12.815   49.488   21.264   66.053   25.438 -16.56499 33.15490 
1 1 1  -36   23    9 o   43.747   14.065  -1.0964   7.4446   4.8253   10.607  -6.8456   10.451   49.011   21.351   38.482   18.316 10.52946 28.13066 
1 1 1  -36   23   10 o   47.803   15.145   2.7930   7.9831   3.8356   12.310   2.0363   10.487   49.734   22.262   45.873   20.540 3.860313 30.29047 
1 1 1  -36   23   11 o   87.023   14.935   28.061   7.7780   14.839   10.992   41.320   11.007   62.302   23.663  111.744   18.229 -49.44165 29.87082 
1 1 1  -36   23   12 o   42.960   13.839  -3.7017   7.5522   6.5692   10.672 -14.0042   10.689   51.212   21.850   34.708   16.990 16.50365 27.67808 
1 1 1  -36   23   13 o   60.478   16.335   12.528   7.8854   5.5698   11.489   18.725   10.842   51.302   22.285   69.655   23.889 -18.35349 32.66949 
1 1 1  -36   23   14 o   44.295   14.290  -1.0295   7.6286  -3.5679   11.162   1.1958   10.450   42.764   19.900   45.827   20.513 -3.063198 28.57964 
1 1 1  -36   23   15 o   62.482   15.735   12.929   7.7068   1.3595   11.686   21.834   10.253   47.934   21.556   77.030   22.928 -29.09564 31.46999 
1 1 1  -36   23   16 o   38.548   13.028  -8.4215   7.5194  -9.2148   11.753  -7.8718   9.7837   40.012   19.148   37.083   17.670 2.929680 26.05507 
1 1 1  -36   23   17 o   60.266   16.467   9.9242   8.6232   22.387   12.247  -2.3288   12.144   75.210   25.392   45.322   20.975 29.88826 32.93470 
1 1 1  -36   23   18 o   40.706   13.854  -9.8185   8.9242  -9.3806   13.338 -10.1734   12.008   42.010   20.181   39.402   18.984 2.607929 27.70729 
1 1 1  -36   23   19 o   41.804   14.164 -13.1145   9.2069   4.1419   13.850 -26.7793   12.324   51.322   23.237   32.287   16.202 19.03514 28.32734 
1 1 1  -36   23   20 o   63.655   17.682   15.950   9.2850   24.302   13.417   8.2748   12.862   73.569   26.463   53.742   23.459 19.82725 35.36409 
1 1 1  -36   23   21 o   35.629   12.409 -15.2904   8.0704 -10.1149   12.714 -18.7832   10.444   39.718   19.234   31.540   15.685 8.178452 24.81819 
1 1 1  -36   24    1 o   50.061   14.954   5.8436   6.9384   5.8725   9.4858   5.8104   10.175   49.729   20.879   50.394   21.414 -0.6649361 29.90779 
1 1 1  -36   24    2 o   42.050   14.451  -9.9814   9.2388 -28.8964   20.670  -5.2590   10.328   44.188   21.989   39.912   18.757 4.276035 28.90215 
1 1 1  -36   24    3 o   46.382   16.164 -20.5970   14.152 -21.3806   22.205 -20.0608   18.366   48.287   23.805   44.478   21.873 3.809448 32.32759 
1 1 1  -36   24    4 o   61.250   19.207   8.5530   13.898 -12.2568   22.508   21.376   17.668   51.882   25.232   70.618   28.964 -18.73689 38.41353 
1 1 1  -36   24    5 o   48.459   16.015  -3.0720   8.3832  -6.4796   9.5050   8.8626   17.788   37.400   17.704   59.518   26.693 -22.11779 32.03035 
1 1 1  -36   24    6 o   47.208   14.528   3.2531   6.9843   5.2994   9.6196   0.9719   10.157   49.290   20.877   45.126   20.209 4.164379 29.05611 
1 1 1  -36   24    7 o   43.140   14.170  -2.9078   7.7320  -3.2978   9.8567  -2.2838   12.467   40.585   18.823   45.695   21.185 -5.109470 28.33924 
1 1 1  -36   24    8 o   44.759   14.551  -1.4761   7.8853  -3.3428   10.186   1.3151   12.456   41.066   19.077   48.451   21.977 -7.384342 29.10203 
1 1 1  -36   24    9 o   53.121   15.876   7.5643   7.8595   5.8198   11.918   8.9066   10.455   51.892   22.618   54.350   22.285 -2.457779 31.75235 
1 1 1  -36   24   10 o   66.383   16.041   15.965   7.6739   6.4155   10.890   25.382   10.815   51.327   21.990   81.439   23.361 -30.11184 32.08258 
1 1 1  -36   24   11 o   42.903   13.934  -1.3036   7.4128   1.1129   10.426  -3.7738   10.541   44.929   20.268   40.877   19.127 4.051666 27.86799 
1 1 1  -36   24   12 o   61.123   16.708   14.246   7.8630   12.450   10.998   16.124   11.246   58.453   23.248   63.792   24.004 -5.339668 33.41647 
1 1 1  -36   24   13 o   59.829   16.397   12.066   8.5906   22.585   11.723  -0.1328   12.625   73.381   24.842   46.277   21.407 27.10395 32.79308 
1 1 1  -36   24   14 o   55.838   16.134   8.0997   8.6843   20.588   12.232  -4.5923   12.332   69.140   25.209   42.536   20.143 26.60464 32.26820 
1 1 1  -36   24   15 o   60.120   17.533   14.374   9.2166   13.707   12.839   15.083   13.238   59.319   24.548   60.921   25.039 -1.601894 35.06506 
1 1 1  -35    0    1 o  123.737   7.4962   42.439   6.9686   42.439   6.9686   42.439   6.9686  123.737   10.601  123.737   10.601 0.000000 0.000000 
1 1 1  -35    0    2 o  145.621   6.3985   58.125   7.0575   58.125   7.0575   58.125   7.0575  145.621   9.0489  145.621   9.0489 0.000000 0.000000 
1 1 1  -35    0    3 o  260.203   5.1870  183.724   10.296  183.724   10.296  183.724   10.296  260.203   7.3355  260.203   7.3355 0.000000 0.000000 
1 1 1  -35    0    4 o   98.208   9.2511   27.561   6.5981   27.561   6.5981   27.561   6.5981   98.208   13.083   98.208   13.083 0.000000 0.000000 
1 1 1  -35    0    5 o  330.581   5.4531  296.390   13.759  296.390   13.759  296.390   13.759  330.581   7.7119  330.581   7.7119 0.000000 0.000000 
1 1 1  -35    0    6 o   40.085   15.143   6.3382   6.3281   6.3382   6.3281   6.3382   6.3281   40.085   21.415   40.085   21.415 0.000000 0.000000 
1 1 1  -35    0    7 o  205.811   5.4863  115.186   8.6010  115.186   8.6010  115.186   8.6010  205.811   7.7588  205.811   7.7588 0.000000 0.000000 
1 1 1  -35    0    8 o   23.590   11.355  -3.5260   6.2677  -3.5260   6.2677  -3.5260   6.2677   23.590   16.059   23.590   16.059 0.000000 0.000000 
1 1 1  -35    0    9 o   62.546   15.207   13.892   6.5379   13.892   6.5379   13.892   6.5379   62.546   21.506   62.546   21.506 0.000000 0.000000 
1 1 1  -35    0   10 o   26.748   12.428  -1.0315   6.4125  -1.0315   6.4125  -1.0315   6.4125   26.748   17.576   26.748   17.576 0.000000 0.000000 
1 1 1  -35    0   11 o  449.882   6.3402  549.245   21.778  549.245   21.778  549.245   21.778  449.882   8.9664  449.882   8.9664 0.000000 0.000000 
1 1 1  -35    0   12 o   30.368   13.662   0.8072   6.9554   0.8072   6.9554   0.8072   6.9554   30.368   19.321   30.368   19.321 0.000000 0.000000 
1 1 1  -35    0   13 o  208.835   5.8628  118.731   9.3229  118.731   9.3229  118.731   9.3229  208.835   8.2912  208.835   8.2912 0.000000 0.000000 
1 1 1  -35    0   14 o   66.797   15.317   15.515   6.9138   15.515   6.9138   15.515   6.9138   66.797   21.661   66.797   21.661 0.000000 0.000000 
1 1 1  -35    0   15 o   31.582   13.883   1.8880   6.7447   1.8880   6.7447   1.8880   6.7447   31.582   19.633   31.582   19.633 0.000000 0.000000 
1 1 1  -35    0   16 o   48.946   16.070   9.6404   6.6603   9.6404   6.6603   9.6404   6.6603   48.946   22.726   48.946   22.726 0.000000 0.000000 
1 1 1  -35    0   17 f  122.466   8.0700   41.808   7.4017   41.808   7.4017   41.808   7.4017  122.466   11.413  122.466   11.413 0.000000 0.000000 
1 1 1  -35    0   18 o  415.944   6.1292  469.746   19.463  469.746   19.463  469.746   19.463  415.944   8.6681  415.944   8.6681 0.000000 0.000000 
1 1 1  -35    0   19 o  400.291   6.1223  435.134   18.708  435.134   18.708  435.134   18.708  400.291   8.6582  400.291   8.6582 0.000000 0.000000 
1 1 1  -35    0   22 o   56.177   19.774   13.083   10.298   13.083   10.298   13.083   10.298   56.177   27.965   56.177   27.965 0.000000 0.000000 
1 1 1  -35    0   23 o  307.912   8.1157  259.234   19.036  259.234   19.036  259.234   19.036  307.912   11.477  307.912   11.477 0.000000 0.000000 
1 1 1  -35    0   24 o  202.405   8.6209  112.928   13.224  112.928   13.224  112.928   13.224  202.405   12.192  202.405   12.192 0.000000 0.000000 
1 1 1  -35    0   25 o   71.418   19.586   19.477   10.170   19.477   10.170   19.477   10.170   71.418   27.699   71.418   27.699 0.000000 0.000000 
1 1 1  -35    0   26 o   67.997   16.634   16.672   7.7927   16.672   7.7927   16.672   7.7927   67.997   23.525   67.997   23.525 0.000000 0.000000 
1 1 1  -35    0   27 o  133.350   7.4004   49.295   7.4345   49.295   7.4345   49.295   7.4345  133.350   10.466  133.350   10.466 0.000000 0.000000 
1 1 1  -35    0   28 o   30.397   13.697   0.8848   7.0252   0.8848   7.0252   0.8848   7.0252   30.397   19.371   30.397   19.371 0.000000 0.000000 
1 1 1  -35    0   29 o   48.015   16.470   9.5316   7.0683   9.5316   7.0683   9.5316   7.0683   48.015   23.292   48.015   23.292 0.000000 0.000000 
1 1 1  -35    0   30 o  132.675   8.2885   49.217   8.2527   49.217   8.2527   49.217   8.2527  132.675   11.722  132.675   11.722 0.000000 0.000000 
1 1 1  -35    0   31 o   28.000   13.103  -1.4148   7.3334  -1.4148   7.3334  -1.4148   7.3334   28.000   18.531   28.000   18.531 0.000000 0.000000 
1 1 1  -35    0   32 o   91.754   12.040   25.469   7.5876   25.469   7.5876   25.469   7.5876   91.754   17.027   91.754   17.027 0.000000 0.000000 
1 1 1  -35    0   33 o  242.388   5.6873  160.308   10.508  160.308   10.508  160.308   10.508  242.388   8.0431  242.388   8.0431 0.000000 0.000000 
1 1 1  -35    0   34 o   45.365   16.195   8.6511   6.9580   8.6511   6.9580   8.6511   6.9580   45.365   22.904   45.365   22.904 0.000000 0.000000 
1 1 1  -35    0   35 o   55.324   17.113   12.446   7.5364   12.446   7.5364   12.446   7.5364   55.324   24.201   55.324   24.201 0.000000 0.000000 
1 1 1  -35    0   36 o   36.629   15.126   4.8067   7.0442   4.8067   7.0442   4.8067   7.0442   36.629   21.392   36.629   21.392 0.000000 0.000000 
1 1 1  -35    0   37 o   34.930   14.906   3.7610   7.2696   3.7610   7.2696   3.7610   7.2696   34.930   21.080   34.930   21.080 0.000000 0.000000 
1 1 1  -35    0   38 o   92.590   12.762   26.438   8.0463   26.438   8.0463   26.438   8.0463   92.590   18.048   92.590   18.048 0.000000 0.000000 
1 1 1  -35    0   39 o   36.540   15.392   4.5644   7.5526   4.5644   7.5526   4.5644   7.5526   36.540   21.767   36.540   21.767 0.000000 0.000000 
1 1 1  -35    0   40 o   82.955   15.444   23.037   8.4587   23.037   8.4587   23.037   8.4587   82.955   21.841   82.955   21.841 0.000000 0.000000 
1 1 1  -35    0   41 o  256.130   5.9557  179.686   11.629  179.686   11.629  179.686   11.629  256.130   8.4226  256.130   8.4226 0.000000 0.000000 
1 1 1  -35    0   42 o   36.671   15.762   4.2592   8.2479   4.2592   8.2479   4.2592   8.2479   36.671   22.290   36.671   22.290 0.000000 0.000000 
1 1 1  -35    0   43 f   99.632   13.535   30.983   9.2058   30.983   9.2058   30.983   9.2058   99.632   19.142   99.632   19.142 0.000000 0.000000 
1 1 1  -35    0   44 o  271.570   6.1685  202.654   12.772  202.654   12.772  202.654   12.772  271.570   8.7235  271.570   8.7235 0.000000 0.000000 
1 1 1  -35    0   45 o  103.573   12.741   33.200   9.1699   33.200   9.1699   33.200   9.1699  103.573   18.018  103.573   18.018 0.000000 0.000000 
1 1 1  -35    0   46 o   19.763   10.166 -17.8287   8.7554 -17.8287   8.7554 -17.8287   8.7554   19.763   14.376   19.763   14.376 0.000000 0.000000 
1 1 1  -35    0   47 o  131.890   10.345   50.629   10.098   50.629   10.098   50.629   10.098  131.890   14.630  131.890   14.630 0.000000 0.000000 
1 1 1  -35    0   50 o   19.452   10.055 -20.5637   9.2310 -20.5637   9.2310 -20.5637   9.2310   19.452   14.220   19.452   14.220 0.000000 0.000000 
1 1 1  -35    0   51 o   50.464   18.721   12.809   9.5317   12.809   9.5317   12.809   9.5317   50.464   26.475   50.464   26.475 0.000000 0.000000 
1 1 1  -35    1    1 o  227.054   5.3200  139.760   6.5222  142.791   9.4477  137.000   9.0150  229.391   7.6218  224.717   7.4241 4.674606 10.64000 
1 1 1  -35    1    2 o  306.334   5.2968  254.562   8.7672  250.057   12.324  259.178   12.475  303.587   7.5126  309.082   7.4690 -5.494781 10.59367 
1 1 1  -35    1    3 o   69.492   12.096   13.995   4.5501   16.427   6.2382   11.230   6.6513   75.938   15.720   63.046   18.389 12.89193 24.19227 
1 1 1  -35    1    4 o   36.620   11.160  -2.6194   4.3959  -8.8297   6.3634   3.0495   6.0798   29.337   14.053   43.903   17.341 -14.56578 22.32010 
1 1 1  -35    1    5 o   75.131   11.589   16.163   4.5825   18.639   6.5086   13.730   6.4530   81.066   15.421   69.195   17.303 11.87171 23.17821 
1 1 1  -35    1    6 o   47.521   12.719   4.4156   4.5252   6.1399   6.4569   2.7510   6.3440   51.019   18.357   44.024   17.609 6.995129 25.43729 
1 1 1  -35    1    7 o   51.531   11.383   4.4210   4.4619   14.182   6.4051  -4.7819   6.2193   70.321   17.036   32.741   15.103 37.57970 22.76648 
1 1 1  -35    1    8 o  210.926   5.4660  120.763   6.2273  116.323   8.7819  125.254   8.8319  207.011   7.8506  214.841   7.6076 -7.830246 10.93200 
1 1 1  -35    1    9 o  217.501   5.4989  128.373   6.4615  124.778   9.0613  132.093   9.2166  214.397   7.8213  220.604   7.7316 -6.206589 10.99778 
1 1 1  -35    1   10 o  367.835   5.7035  367.444   11.336  366.554   16.102  368.319   15.962  367.383   8.1110  368.288   8.0206 -0.9043884 11.40694 
1 1 1  -35    1   11 o  215.841   5.6398  126.542   6.5765  124.069   9.3254  128.989   9.2759  213.728   8.0746  217.953   7.8760 -4.224319 11.27963 
1 1 1  -35    1   12 o  178.286   6.0441   86.394   5.8216   83.994   8.1924   88.842   8.2742  175.775   8.6252  180.796   8.4693 -5.021774 12.08811 
1 1 1  -35    1   13 o  132.229   7.5119   47.678   5.3638   45.295   7.5091   50.161   7.6643  128.837   10.786  135.620   10.458 -6.783722 15.02373 
1 1 1  -35    1   14 o  103.331   8.8619   29.243   4.9472   28.402   6.9444   30.108   7.0494  101.815   12.622  104.848   12.442 -3.033325 17.72387 
1 1 1  -35    1   15 o  209.451   5.5938  119.096   6.3271  125.209   9.0877  113.346   8.8143  214.673   7.8340  204.229   7.9869 10.44441 11.18764 
1 1 1  -35    1   16 o  200.034   5.7509  108.786   6.2119  114.127   8.8305  103.554   8.7400  204.918   7.9747  195.150   8.2882 9.768768 11.50172 
1 1 1  -35    1   17 f  259.674   5.4037  183.148   7.5806  185.395   10.861  181.013   10.585  261.217   7.6945  258.131   7.5889 3.085602 10.80732 
1 1 1  -35    1   18 o  181.429   6.1503   89.153   6.0109   99.583   8.8228   80.117   8.2114  191.309   8.5346  171.549   8.8581 19.76015 12.30061 
1 1 1  -35    1   19 o  122.695   10.561   37.617   6.5899   30.578   7.8580   54.302   12.098  105.392   13.798  139.999   15.992 -34.60748 21.12190 
1 1 1  -35    1   22 o  168.602   14.713   78.671   13.404   78.671   13.404   0.0000   0.0000  168.602   14.713  ?   ?       ?      ? 
1 1 1  -35    1   23 o   66.706   14.654   13.139   6.0078   16.265   7.3574   6.8851   10.407   74.655   18.364   58.756   22.841 15.89927 29.30791 
1 1 1  -35    1   24 o  127.989   11.468   45.010   7.9312   0.0000   0.0000   45.010   7.9312  ?   ?   127.989   11.468      ?      ? 
1 1 1  -35    1   25 o   73.062   13.677   11.123   6.0998   30.203   10.600   1.6784   7.4583  101.469   20.044   44.655   18.613 56.81384 27.35369 
1 1 1  -35    1   26 o   63.500   13.603   8.5951   5.6967   0.6544   7.2874   21.072   9.1348   42.656   18.124   84.343   20.290 -41.68668 27.20614 
1 1 1  -35    1   27 o  127.257   8.1257   44.624   5.5830   46.136   7.8395   43.067   7.9529  129.505   11.202  125.008   11.773 4.497314 16.25131 
1 1 1  -35    1   28 o   50.101   12.326   3.6747   4.9639   12.624   7.0065  -5.3444   7.0337   65.717   18.788   34.485   15.961 31.23192 24.65245 
1 1 1  -35    1   29 o   97.754   10.808   28.332   5.1965   15.483   7.2635   41.803   7.4375   72.364   18.503  123.145   11.177 -50.78104 21.61692 
1 1 1  -35    1   30 o   79.421   12.455   18.725   5.2195   21.508   7.2866   15.793   7.4802   85.987   16.278   72.855   18.855 13.13219 24.90968 
1 1 1  -35    1   31 o   53.719   13.665   7.2983   5.0628   8.4375   7.3869   6.2890   6.9527   56.212   19.693   51.227   18.952 4.984886 27.33091 
1 1 1  -35    1   32 o   96.955   13.861   26.331   7.2618   0.0000   0.0000   26.331   7.2618  ?   ?    96.955   13.861      ?      ? 
1 1 1  -35    1   33 o  101.215   9.5088   29.003   5.1315   33.597   7.1693   24.176   7.3481  109.874   12.075   92.557   14.692 17.31686 19.01754 
1 1 1  -35    1   34 o  105.848   9.3701   31.756   5.2984   27.488   7.6826   35.628   7.3169   98.635   14.414  113.061   11.976 -14.42562 18.74025 
1 1 1  -35    1   35 o  170.913   6.6707   80.496   6.1602   78.945   8.6782   82.071   8.7458  169.234   9.4898  172.592   9.3776 -3.358490 13.34145 
1 1 1  -35    1   36 o   76.700   12.953   17.818   5.3250   20.570   7.5053   15.028   7.5563   83.063   17.284   70.336   19.299 12.72772 25.90700 
1 1 1  -35    1   37 o  129.362   8.3393   46.812   5.8285   46.935   8.1786   46.686   8.3084  129.576   11.681  129.148   11.905 0.4277191 16.67867 
1 1 1  -35    1   38 o  110.555   9.8087   35.256   5.7000   26.322   8.0660   44.167   8.0560   95.616   15.611  125.493   11.880 -29.87749 19.61746 
1 1 1  -35    1   39 o  115.488   9.7311   38.261   5.9493   29.497   8.3188   47.436   8.5118  101.184   15.215  129.791   12.136 -28.60691 19.46214 
1 1 1  -35    1   40 o  256.044   5.9463  180.211   8.2118  167.564   11.240  194.691   12.026  246.423   8.4410  265.664   8.3775 -19.24068 11.89263 
1 1 1  -35    1   41 f   65.682   14.200   13.111   5.7896   18.258   8.1347   7.8280   8.2418   76.533   19.588   54.830   20.565 21.70353 28.40061 
1 1 1  -35    1   42 o  157.392   7.8336   69.359   6.6494   74.211   9.7780   65.186   9.0694  162.460   11.138  152.324   11.018 10.13562 15.66730 
1 1 1  -35    1   43 o  133.189   9.4030   50.918   6.7583   51.149   9.3374   50.664   9.7942  133.723   12.922  132.654   13.663 1.068634 18.80606 
1 1 1  -35    1   44 o  208.746   6.7295  121.492   7.5820  129.968   10.938  113.654   10.519  215.841   9.3784  201.651   9.6535 14.19012 13.45897 
1 1 1  -35    1   45 o  128.571   9.8745   48.557   6.8446   47.763   9.9583   49.268   9.4233  127.182   14.490  129.960   13.418 -2.778137 19.74893 
1 1 1  -35    1   46 o   45.315   13.966   1.0314   6.4797  -1.5721   9.0381   3.7847   9.2946   41.937   18.899   48.692   20.567 -6.754532 27.93142 
1 1 1  -35    1   47 o  209.852   7.6271  120.884   8.3157  176.280   12.899   81.485   10.878  250.852   9.5157  168.851   11.922 82.00130 15.25417 
1 1 1  -35    1   50 o   35.025   11.900 -10.7239   6.6720 -17.2697   9.4250  -4.1485   9.4463   30.777   15.235   39.273   18.286 -8.495481 23.80082 
1 1 1  -35    1   51 f   46.320   14.124   4.0150   6.4795   1.8839   9.3105   6.0164   9.0230   43.985   19.547   48.654   20.392 -4.669491 28.24719 
1 1 1  -35    2    1 o  276.986   7.3204  208.139   10.957   0.0000   0.0000  208.139   10.957  ?   ?   276.986   7.3204      ?      ? 
1 1 1  -35    2    2 o   94.312   9.1197   24.487   4.5859   19.783   6.4339   29.345   6.5383   84.939   14.018  103.684   11.670 -18.74515 18.23948 
1 1 1  -35    2    3 o  205.069   5.4471  114.112   6.0286  106.602   8.4467  121.909   8.6069  198.171   7.8879  211.967   7.5144 -13.79611 10.89422 
1 1 1  -35    2    4 o  267.476   5.2222  193.531   7.5355  203.854   11.052  184.563   10.301  274.111   7.4614  260.841   7.3085 13.27002 10.44445 
1 1 1  -35    2    5 o   80.873   11.004   18.595   4.6695   15.533   6.8192   21.299   6.4074   73.556   17.424   88.189   13.445 -14.63313 22.00883 
1 1 1  -35    2    6 o  194.261   5.5943  102.271   5.8663  106.118   8.5380   98.832   8.0739  197.706   7.9919  190.817   7.8303 6.889633 11.18859 
1 1 1  -35    2    7 o  115.346   7.8571   36.379   4.8806   34.902   7.1114   37.694   6.7104  113.074   11.639  117.617   10.558 -4.542603 15.71423 
1 1 1  -35    2    8 o  120.991   7.5384   39.845   4.9245   41.219   7.1448   38.602   6.7967  122.966   10.753  119.017   10.568 3.949593 15.07677 
1 1 1  -35    2    9 o  247.647   5.3912  166.402   7.2095  158.046   10.099  175.086   10.295  241.291   7.7456  254.002   7.5010 -12.71155 10.78230 
1 1 1  -35    2   10 o  172.513   6.1107   80.860   5.6925   80.075   7.8900   81.712   8.2212  171.656   8.5060  173.370   8.7755 -1.713898 12.22137 
1 1 1  -35    2   11 o  235.974   5.5160  151.147   7.0173  137.631   9.7938  165.407   10.060  225.098   8.0517  246.850   7.5415 -21.75133 11.03198 
1 1 1  -35    2   12 o   92.187   9.9584   23.344   4.9590   24.215   7.0592   22.496   6.9678   93.902   13.912   90.472   14.253 3.429512 19.91683 
1 1 1  -35    2   13 o  219.977   5.6668  131.383   6.7268  133.146   9.7996  129.812   9.2504  221.344   8.1932  218.609   7.8308 2.734482 11.33358 
1 1 1  -35    2   14 o  119.460   7.8439   39.075   5.0504   36.370   7.2074   41.685   7.0790  115.332   11.565  123.589   10.600 -8.256790 15.68781 
1 1 1  -35    2   15 o  142.168   7.0544   55.128   5.4175   56.469   7.6319   53.766   7.6913  143.933   9.8127  140.404   10.138 3.528885 14.10885 
1 1 1  -35    2   16 o   46.990   12.094   1.9233   4.7744  -6.4170   6.6853   10.605   6.8207   32.539   15.228   61.441   18.794 -28.90187 24.18873 
1 1 1  -35    2   17 o   62.385   13.380   10.989   4.9362   9.3907   7.1466   12.447   6.8262   58.926   19.385   65.844   18.448 -6.917313 26.75991 
1 1 1  -35    2   18 o  129.040   14.917   45.968   10.401   0.0000   0.0000   45.968   10.401  ?   ?   129.040   14.917      ?      ? 
1 1 1  -35    2   19 o   80.754   14.885   18.537   6.7985   11.550   9.2357   26.802   10.044   65.452   22.050   96.056   20.001 -30.60387 29.76980 
1 1 1  -35    2   20 o  124.426   17.045   43.086   11.460   0.0000   0.0000   43.086   11.460  ?   ?   124.426   17.045      ?      ? 
1 1 1  -35    2   22 o  152.768   15.650   64.820   12.919   64.820   12.919   0.0000   0.0000  152.768   15.650  ?   ?       ?      ? 
1 1 1  -35    2   23 o  134.908   8.8337   47.173   6.2277   68.536   10.221   34.557   7.8542  157.878   11.980  111.937   12.985 45.94091 17.66738 
1 1 1  -35    2   24 o  127.208   9.8136   44.615   6.3574   45.450   11.041   44.200   7.7758  127.576   16.016  126.840   11.345 0.7356567 19.62716 
1 1 1  -35    2   25 o  112.872   11.910   39.409   6.1949   28.716   10.925   44.477   7.5209   98.473   21.162  127.271   10.936 -28.79899 23.82046 
1 1 1  -35    2   26 o   46.841   12.401   1.8607   5.0381  -7.0193   7.2443   10.179   7.0113   33.570   15.755   60.112   19.155 -26.54155 24.80219 
1 1 1  -35    2   27 o  251.460   11.155  173.941   15.158   0.0000   0.0000  173.941   15.158  ?   ?   251.460   11.155      ?      ? 
1 1 1  -35    2   28 o   70.171   13.476   14.538   5.2711   16.366   7.3766   12.631   7.5349   74.503   18.426   65.840   19.669 8.663231 26.95161 
1 1 1  -35    2   29 o   77.684   12.172   17.696   4.9753   16.975   6.9503   18.453   7.1252   76.008   17.310   79.360   17.118 -3.351563 24.34451 
1 1 1  -35    2   30 o   42.429   12.381   1.3113   4.7435   4.6517   6.7745  -1.9016   6.6440   47.774   18.468   37.084   16.494 10.69035 24.76145 
1 1 1  -35    2   31 o  146.919   7.2126   59.486   5.7210   56.799   8.1059   62.153   8.0756  143.542   10.450  150.296   9.9435 -6.753967 14.42517 
1 1 1  -35    2   32 o  191.367   6.2291  100.387   6.4276   91.779   8.9728  109.460   9.2119  182.855   9.0809  199.879   8.5289 -17.02362 12.45816 
1 1 1  -35    2   33 o  220.885   5.7888  133.685   6.9078  133.105   9.8663  134.242   9.6747  220.378   8.2851  221.391   8.0870 -1.012741 11.57765 
1 1 1  -35    2   34 o   53.397   12.199   4.8487   5.0996  -5.7063   7.1266   15.925   7.3006   34.086   15.875   72.709   18.528 -38.62308 24.39887 
1 1 1  -35    2   35 f  321.434   5.7817  283.104   10.037  275.889   13.912  290.937   14.494  317.201   8.1164  325.666   8.2364 -8.464813 11.56349 
1 1 1  -35    2   36 o  100.727   10.670   29.572   5.5149   37.158   7.8537   22.193   7.7458  115.099   12.627   86.355   17.204 28.74386 21.34042 
1 1 1  -35    2   37 o   43.138   13.048   0.8659   5.4030   2.0451   7.9087  -0.1662   7.3988   45.281   19.040   40.996   17.846 4.284710 26.09629 
1 1 1  -35    2   38 o  106.590   10.306   32.369   5.9044   37.103   8.5856   28.120   8.1330  114.223   13.910   98.957   15.210 15.26637 20.61118 
1 1 1  -35    2   39 o   63.922   14.461   12.397   5.6367   13.572   8.3030   11.392   7.6768   66.316   20.811   61.527   20.084 4.788853 28.92163 
1 1 1  -35    2   40 o   59.424   14.333   10.082   5.6902   13.975   8.1137   6.3145   7.9823   67.052   20.496   51.797   20.040 15.25545 28.66530 
1 1 1  -35    2   41 o  230.870   6.2356  147.389   7.7781  148.879   10.946  145.870   11.054  232.102   8.7276  229.638   8.9085 2.464828 12.47124 
1 1 1  -35    2   42 o   86.385   13.204   23.256   5.9863   25.412   8.3312   20.955   8.6074   91.270   17.530   81.499   19.751 9.771118 26.40833 
1 1 1  -35    2   43 o  142.887   8.4906   58.053   6.5407   59.855   9.0507   56.084   9.4628  145.490   11.512  140.285   12.483 5.204575 16.98119 
1 1 1  -35    2   44 o   49.505   14.136   4.7570   5.9102   7.7679   8.6017   2.0643   8.1345   54.232   20.852   44.778   19.090 9.453648 28.27106 
1 1 1  -35    2   45 o  102.638   12.221   32.658   6.5501   27.392   9.2043   38.062   9.3233   92.328   19.080  112.948   15.276 -20.62016 24.44148 
1 1 1  -35    2   46 o   60.390   15.484   11.378   6.5139   11.196   9.2182   11.559   9.2059   60.072   21.887   60.708   21.910 -0.6362572 30.96873 
1 1 1  -35    2   47 o  106.941   14.530   34.794   7.8109   29.231   9.6222   45.541   13.375   95.908   19.236  117.974   21.783 -22.06621 29.06046 
1 1 1  -35    2   50 o   31.331   15.416 -14.9875   9.1624 -14.9875   9.1624   0.0000   0.0000   31.331   15.416  ?   ?       ?      ? 
1 1 1  -35    2   51 o   86.475   15.062   27.549   7.0395   30.789   9.7889   24.079   10.130   93.596   19.964   79.354   22.558 14.24186 30.12363 
1 1 1  -35    3    1 o  110.663   8.5697   35.253   4.7797   21.355   6.8792   48.224   6.6458   88.178   14.437  133.149   9.2368 -44.97027 17.13935 
1 1 1  -35    3    2 o  304.798   5.3027  251.931   8.7235  255.734   12.685  248.519   12.016  306.952   7.6478  302.644   7.3474 4.307404 10.60532 
1 1 1  -35    3    3 o  266.998   5.2562  193.508   7.5783  191.346   10.887  195.542   10.556  265.527   7.5875  268.470   7.2761 -2.943481 10.51245 
1 1 1  -35    3    4 o  217.134   5.3799  127.890   6.3035  129.183   9.1812  126.737   8.6696  218.148   7.7886  216.119   7.4237 2.028793 10.75983 
1 1 1  -35    3    5 o  147.067   6.5464   58.882   5.1777   58.239   7.6836   59.417   7.0077  146.281   9.7206  147.853   8.7711 -1.572266 13.09282 
1 1 1  -35    3    6 o   64.642   12.480   11.997   4.4837   10.934   6.6882   12.864   6.0426   62.304   18.513   66.980   16.741 -4.675369 24.95988 
1 1 1  -35    3    7 o  251.007   5.3206  171.175   7.2079  162.781   10.247  179.396   10.141  244.876   7.7439  257.138   7.2983 -12.26135 10.64114 
1 1 1  -35    3    8 o  250.880   5.4320  171.014   7.3363  168.989   10.820  172.737   9.9805  249.449   8.0273  252.310   7.3203 -2.860458 10.86395 
1 1 1  -35    3    9 o  371.567   5.8098  374.377   11.644  386.113   17.083  364.194   15.913  376.953   8.3868  366.181   8.0421 10.77148 11.61958 
1 1 1  -35    3   10 o   58.028   12.642   8.8416   4.8225   2.3421   7.0815   14.463   6.5856   45.152   18.407   70.905   17.334 -25.75369 25.28396 
1 1 1  -35    3   11 o  252.792   5.4841  173.578   7.4894  171.556   10.672  175.541   10.514  251.324   7.8579  254.261   7.6521 -2.936234 10.96817 
1 1 1  -35    3   12 o  154.296   6.4738   64.771   5.3966   66.286   7.7167   63.320   7.5500  156.062   9.1506  152.530   9.1601 3.531952 12.94762 
1 1 1  -35    3   13 o  117.635   8.1154   37.854   5.1551   36.756   7.3501   38.917   7.2321  115.924   11.734  119.346   11.214 -3.421692 16.23070 
1 1 1  -35    3   14 o  177.960   6.0846   86.166   5.8481   82.775   8.2534   89.586   8.2877  174.421   8.7568  181.499   8.4503 -7.078110 12.16925 
1 1 1  -35    3   15 o  127.549   7.5123   44.361   5.1349   52.441   7.4520   37.055   7.0854  138.678   9.9445  116.421   11.263 22.25642 15.02469 
1 1 1  -35    3   16 f  173.558   6.1706   81.953   5.7862   83.602   8.2635   80.367   8.1047  175.271   8.7251  171.846   8.7279 3.424896 12.34113 
1 1 1  -35    3   17 o  171.585   6.3179   80.162   5.8408   88.469   8.3655   72.262   8.1587  180.309   8.5859  162.862   9.2707 17.44632 12.63584 
1 1 1  -35    3   18 o   46.776   14.206  -0.5320   6.4454  -2.8581   8.5641   2.5068   9.7884   41.947   18.688   51.605   21.401 -9.658058 28.41175 
1 1 1  -35    3   19 o   98.495   13.272   27.893   6.8000   26.104   9.3667   29.887   9.8878   95.047   18.903  101.943   18.636 -6.896133 26.54463 
1 1 1  -35    3   20 o  159.620   13.246   70.113   11.425   0.0000   0.0000   70.113   11.425  ?   ?   159.620   13.246      ?      ? 
1 1 1  -35    3   21 o   46.041   21.145  -7.5968   12.009  -7.5968   12.009   0.0000   0.0000   46.041   21.145  ?   ?       ?      ? 
1 1 1  -35    3   22 o  230.511   11.842  145.946   14.750   0.0000   0.0000  145.946   14.750  ?   ?   230.511   11.842      ?      ? 
1 1 1  -35    3   23 o   95.773   12.320   23.660   6.0112   39.775   10.250   15.214   7.4212  119.434   15.883   72.112   18.838 47.32233 24.64023 
1 1 1  -35    3   24 o  105.831   9.2852   31.138   5.2701   27.136   7.5123   35.016   7.3950   98.923   14.054  112.739   12.139 -13.81632 18.57034 
1 1 1  -35    3   25 o   58.945   13.316   8.5831   5.0501   15.130   7.7380   3.7253   6.6652   71.757   19.463   46.134   18.178 25.62256 26.63176 
1 1 1  -35    3   26 o  118.794   10.643   36.186   6.2507   47.523   12.065   32.026   7.3079  129.917   17.186  107.670   12.561 22.24700 21.28678 
1 1 1  -35    3   27 o  201.038   7.1838  110.583   7.5507  109.740   9.5291  112.005   12.378  200.390   8.8001  201.687   11.357 -1.296799 14.36757 
1 1 1  -35    3   28 o   71.232   14.292   15.837   6.0874   20.391   7.5792   7.5608   10.218   83.527   17.359   58.936   22.710 24.59008 28.58434 
1 1 1  -35    3   29 o  104.798   9.8882   30.742   5.5275   37.076   7.9526   24.823   7.6881  115.559   12.736   94.037   15.130 21.52188 19.77633 
1 1 1  -35    3   30 o  111.389   9.4112   34.997   5.5760   28.444   7.9565   41.321   7.8168  100.661   14.628  122.118   11.846 -21.45670 18.82249 
1 1 1  -35    3   31 o  135.303   7.9108   50.671   5.7546   57.242   8.2335   44.395   8.0462  144.052   10.577  126.553   11.766 17.49881 15.82153 
1 1 1  -35    3   32 o  204.967   6.0852  114.950   6.7320  119.592   9.8141  110.824   9.2518  208.837   8.6967  201.096   8.5140 7.740509 12.17047 
1 1 1  -35    3   33 o   48.488   13.344   4.6859   5.0580   6.3863   7.2881   3.1058   7.0254   51.695   19.348   45.281   18.382 6.414013 26.68812 
1 1 1  -35    3   34 o  113.359   9.2144   36.133   5.6182   32.323   7.9554   39.924   7.9353  107.149   13.740  119.569   12.282 -12.41914 18.42887 
1 1 1  -35    3   35 o   78.250   12.173   18.081   5.5826   5.9211   7.7523   31.180   8.0460   51.454   19.793  105.047   14.175 -53.59225 24.34534 
1 1 1  -35    3   36 o  162.661   7.0458   73.237   6.1883   76.757   8.7793   69.761   8.7241  166.628   9.7504  158.694   10.174 7.933868 14.09158 
1 1 1  -35    3   37 o  135.785   8.1477   51.519   5.9768   53.049   8.5439   50.053   8.3641  137.776   11.476  133.794   11.569 3.982727 16.29540 
1 1 1  -35    3   38 o  128.692   8.5345   47.066   5.8583   40.180   8.4915   53.321   8.0926  119.121   13.192  138.262   10.832 -19.14077 17.06903 
1 1 1  -35    3   39 o   53.503   14.287   7.1952   5.6711   8.4337   7.9629   5.9204   8.0787   55.684   20.334   51.322   20.076 4.361164 28.57457 
1 1 1  -35    3   40 o   73.118   12.670   16.319   5.5853   6.6905   8.0138   25.413   7.7886   52.504   20.142   93.732   15.377 -41.22794 25.34068 
1 1 1  -35    3   41 o   73.622   14.081   16.994   5.7453   15.936   8.1743   18.027   8.0767   71.263   20.265   75.981   19.557 -4.717537 28.16286 
1 1 1  -35    3   42 o   44.833   13.315   1.0338   5.7557  -4.3706   8.0661   6.6403   8.2155   37.409   17.236   52.257   20.299 -14.84807 26.62982 
1 1 1  -35    3   43 o   66.613   14.809   14.061   5.9917   11.864   8.4278   16.305   8.5200   61.994   21.063   71.232   20.822 -9.238358 29.61772 
1 1 1  -35    3   44 o   66.558   13.440   13.210   6.0901   1.5488   8.7086   24.371   8.5200   45.107   19.498   88.008   18.503 -42.90054 26.87974 
1 1 1  -35    3   45 o   96.797   12.685   29.469   6.4522   32.372   8.9445   26.320   9.3164  103.674   15.966   89.920   19.717 13.75393 25.37049 
1 1 1  -35    3   46 o   40.110   12.908  -3.1614   6.2052  -6.2661   8.7089   0.0402   8.8438   36.852   17.289   43.367   19.172 -6.514809 25.81573 
1 1 1  -35    3   47 o   81.185   18.645   23.989   9.7302   29.932   13.266   17.068   14.315   91.539   25.742   70.832   26.980 20.70713 37.29034 
1 1 1  -35    3   49 o   53.038   23.531   6.0811   13.438   0.0000   0.0000   6.0811   13.438  ?   ?    53.038   23.531      ?      ? 
1 1 1  -35    3   50 o   68.512   15.600   16.992   6.7463   20.759   9.3346   12.873   9.7611   76.196   21.652   60.828   22.465 15.36748 31.20081 
1 1 1  -35    3   51 o   67.544   15.560   17.537   6.5437   16.093   9.3191   18.942   9.1907   64.672   22.148   70.417   21.862 -5.744804 31.12051 
1 1 1  -35    4    1 o  395.174   5.8937  423.741   12.575  402.046   17.430  447.294   18.161  384.626   8.3861  405.721   8.2836 -21.09549 11.78749 
1 1 1  -35    4    2 o  107.843   8.3541   32.155   4.8100   28.040   7.0419   35.755   6.5857  101.183   12.879  114.504   10.644 -13.32117 16.70823 
1 1 1  -35    4    3 o  167.764   5.9310   76.346   5.3623   78.240   7.9169   74.741   7.2889  169.654   8.6358  165.874   8.1320 3.779907 11.86195 
1 1 1  -35    4    4 o  124.320   7.2586   42.014   4.8512   43.111   7.2766   41.136   6.5087  125.730   10.710  122.910   9.7999 2.820435 14.51715 
1 1 1  -35    4    5 o  253.722   5.2961  174.447   7.2366  178.040   10.729  171.448   9.8018  256.073   7.7538  251.370   7.2161 4.703156 10.59215 
1 1 1  -35    4    6 o  216.477   5.4696  127.359   6.3883  124.743   9.2393  129.755   8.8425  214.311   7.9783  218.643   7.4843 -4.330994 10.93926 
1 1 1  -35    4    7 o  157.957   6.3607   68.330   5.3856   63.211   7.9467   72.678   7.3240  152.369   9.6517  163.546   8.2874 -11.17673 12.72148 
1 1 1  -35    4    8 o  192.250   5.7981  100.497   6.0150   98.894   8.6990  101.966   8.3261  190.748   8.4396  193.753   7.9525 -3.004745 11.59611 
1 1 1  -35    4    9 o  141.618   6.8941   54.151   5.2522   61.224   7.8452   48.405   7.0705  149.934   9.6831  133.302   9.8158 16.63216 13.78814 
1 1 1  -35    4   10 o  216.505   5.6161  127.040   6.5531  131.312   9.6858  123.433   8.8991  219.822   8.1541  213.188   7.7250 6.634720 11.23227 
1 1 1  -35    4   11 o  177.810   6.1602   86.004   5.9144   85.839   8.5271   86.156   8.2102  177.622   8.8842  177.998   8.5359 -0.3754272 12.32032 
1 1 1  -35    4   12 o  122.965   7.7090   41.332   5.0936   47.108   7.3009   35.854   7.1097  131.416   10.281  114.514   11.490 16.90215 15.41798 
1 1 1  -35    4   13 o  166.745   6.4915   75.701   5.8413   75.784   8.4841   75.627   8.0543  166.798   9.4129  166.691   8.9419 0.1075287 12.98310 
1 1 1  -35    4   14 o  138.008   7.1721   51.521   5.3260   57.429   7.9723   46.759   7.1576  145.089   10.169  130.926   10.117 14.16389 14.34425 
1 1 1  -35    4   15 o  202.968   5.7717  111.987   6.3171  112.393   9.2423  111.631   8.6541  203.273   8.4142  202.663   7.9024 0.6100464 11.54331 
1 1 1  -35    4   16 o   66.444   12.474   12.005   4.9650   20.204   7.2826   4.8843   6.7868   83.976   16.637   48.911   18.590 35.06476 24.94741 
1 1 1  -35    4   17 o   53.772   14.816   4.5756   6.4873  -0.6336   9.4501   9.2185   8.9216   46.835   20.278   60.709   21.606 -13.87479 29.63141 
1 1 1  -35    4   18 o  164.273   8.6864   74.046   7.7081   76.126   10.892   71.959   10.910  166.622   12.097  161.924   12.469 4.697968 17.37278 
1 1 1  -35    4   19 o  157.360   9.0378   68.008   7.6810   66.914   10.660   69.189   11.077  156.074   12.640  158.646   12.921 -2.572189 18.07550 
1 1 1  -35    4   20 o  156.411   10.582   65.727   8.7440   77.207   14.302   58.874   11.050  166.763   15.871  146.058   14.000 20.70439 21.16345 
1 1 1  -35    4   21 o   92.791   16.675   24.375   8.3935   34.437   13.307   17.727   10.817  107.647   23.533   77.934   23.631 29.71349 33.35027 
1 1 1  -35    4   22 o   90.210   22.156   24.189   10.722   0.0000   0.0000   24.189   10.722  ?   ?    90.210   22.156      ?      ? 
1 1 1  -35    4   23 o  170.845   6.7396   79.997   6.2049   74.156   8.8481   85.650   8.7038  164.603   9.9477  177.087   9.0957 -12.48355 13.47919 
1 1 1  -35    4   24 o   42.745   12.716   0.8391   5.0235   2.8299   7.3080  -0.9443   6.9168   46.090   18.734   39.400   17.200 6.690441 25.43262 
1 1 1  -35    4   25 o   55.827   12.842   7.4048   5.1149  -0.5156   7.4598   14.432   7.0268   41.488   17.990   70.166   18.331 -28.67852 25.68370 
1 1 1  -35    4   26 f   45.353   14.099  -0.7378   6.1925  -3.0586   11.534   0.2020   7.3401   48.593   21.665   42.112   18.048 6.481331 28.19755 
1 1 1  -35    4   27 o  115.304   13.010   41.708   6.7469   31.081   12.529   46.049   8.0070  101.345   23.358  129.264   11.463 -27.91897 26.01925 
1 1 1  -35    4   28 o   60.433   15.146   9.7279   6.2816   12.173   7.8382   5.3378   10.502   64.820   20.201   56.047   22.572 8.772495 30.29110 
1 1 1  -35    4   29 o  143.391   9.3481   57.162   6.9310   56.901   8.6323   57.635   11.628  143.558   11.128  143.225   15.024 0.3332672 18.69619 
1 1 1  -35    4   30 o  184.171   6.5011   93.080   6.4691   92.878   9.2135   93.277   9.0852  183.950   9.2690  184.391   9.1181 -0.4411621 13.00213 
1 1 1  -35    4   31 o   68.765   13.708   14.050   5.3481   16.303   7.6558   11.904   7.4741   73.796   19.064   63.733   19.703 10.06283 27.41622 
1 1 1  -35    4   32 o  212.876   5.9578  124.368   6.8361  113.932   9.6393  134.927   9.6964  203.759   8.7547  221.992   8.0832 -18.23299 11.91568 
1 1 1  -35    4   33 o   81.198   11.978   19.565   5.0852   18.212   7.2440   20.880   7.1404   78.120   17.585   84.277   16.268 -6.156288 23.95577 
1 1 1  -35    4   34 o  128.601   8.1844   46.181   5.6403   39.225   7.9226   53.329   8.0318  118.479   12.375  138.723   10.715 -20.24451 16.36877 
1 1 1  -35    4   35 o  146.209   7.5832   59.004   5.9116   73.100   8.6985   46.905   8.0587  162.640   9.8976  129.777   11.492 32.86259 15.16634 
1 1 1  -35    4   36 o  151.066   7.5864   63.306   6.1771   57.296   8.5463   69.880   8.9383  143.456   11.025  158.677   10.424 -15.22145 15.17289 
1 1 1  -35    4   37 o  107.084   10.085   32.775   5.8085   30.895   8.4542   34.455   7.9939  103.846   15.066  110.321   13.410 -6.475098 20.16912 
1 1 1  -35    4   38 o   73.940   13.894   17.034   5.6821   19.103   7.8606   14.770   8.2232   78.880   18.722   69.000   20.533 9.879829 27.78729 
1 1 1  -35    4   39 o   64.084   14.186   12.483   5.4960   14.819   7.9746   10.370   7.5849   68.956   20.141   59.212   19.982 9.744026 28.37206 
1 1 1  -35    4   40 o   40.104   12.541  -1.8919   5.5167   2.1183   7.7249  -6.0658   7.8811   44.653   18.799   35.556   16.605 9.096588 25.08251 
1 1 1  -35    4   41 o   57.218   14.278   9.3128   5.6310   11.998   7.6989   6.2236   8.2572   62.549   20.088   51.888   20.297 10.66141 28.55635 
1 1 1  -35    4   42 o  150.143   8.0068   63.513   6.4895   61.169   8.9333   66.132   9.4429  147.270   11.226  153.016   11.420 -5.745956 16.01369 
1 1 1  -35    4   43 o   64.034   14.065   12.252   5.8258   5.5583   8.1220   19.345   8.3611   50.153   19.969   77.915   19.814 -27.76144 28.13086 
1 1 1  -35    4   44 o   48.294   13.909   4.1422   5.9266   8.2256   8.2644  -0.1811   8.5036   54.197   20.534   42.391   18.767 11.80602 27.81831 
1 1 1  -35    4   45 o   97.718   12.751   30.510   6.4501   37.860   8.9531   22.578   9.3004  113.108   14.648   82.328   20.876 30.77982 25.50254 
1 1 1  -35    4   46 o   37.539   12.465  -6.5875   6.4270  -6.1687   8.9636  -7.0306   9.2203   37.587   17.603   37.491   17.651 0.9671021E-01 24.92906 
1 1 1  -35    4   47 o   36.153   12.717 -29.2648   9.6740 -15.6847   13.655 -42.9505   13.708   41.067   19.898   31.239   15.843 9.827919 25.43463 
1 1 1  -35    4   49 o   59.267   17.857   10.853   10.279   5.4392   15.469   15.135   13.756   54.919   24.739   63.615   25.758 -8.695934 35.71416 
1 1 1  -35    4   50 o   39.218   12.938  -4.4889   6.7569  -7.2913   9.3589  -1.4376   9.7656   36.402   17.328   42.035   19.218 -5.632736 25.87605 
1 1 1  -35    4   51 o   47.231   13.924   2.0014   6.7445   13.738   9.6560  -9.1790   9.4246   59.950   22.304   34.512   16.676 25.43736 27.84823 
1 1 1  -35    5    1 o  247.387   7.1629  166.100   9.5753   0.0000   0.0000  166.100   9.5753  ?   ?   247.387   7.1629      ?      ? 
1 1 1  -35    5    2 o  198.613   5.6359  106.480   6.0050  112.693   9.1543  101.788   7.9559  203.616   8.3201  193.609   7.6045 10.00629 11.27176 
1 1 1  -35    5    3 o  157.186   6.3202   67.056   5.3437   68.863   7.9914   65.595   7.1868  159.053   9.2981  155.320   8.5629 3.732681 12.64031 
1 1 1  -35    5    4 o  158.361   9.2157   68.256   7.8862   68.256   7.8862   0.0000   0.0000  158.361   9.2157  ?   ?       ?      ? 
1 1 1  -35    5    5 o  166.966   6.0287   75.608   5.4024   77.371   8.1688   74.237   7.2023  168.637   8.9643  165.296   8.0635 3.341370 12.05732 
1 1 1  -35    5    6 o  131.237   7.0442   47.160   4.9539   44.988   7.4007   48.923   6.6682  128.404   10.666  134.070   9.2043 -5.666718 14.08845 
1 1 1  -35    5    7 o   45.508   12.409   3.2318   4.5815  -1.2689   6.8832   6.8119   6.1390   39.151   17.123   51.865   17.965 -12.71345 24.81819 
1 1 1  -35    5    8 o  168.484   6.2527   77.502   5.6636   74.032   8.3284   80.488   7.7247  164.895   9.3469  172.072   8.3077 -7.177887 12.50533 
1 1 1  -35    5    9 o  221.414   5.6312  132.202   6.7050  143.384   10.106  123.410   8.9613  229.685   8.1426  213.142   7.7806 16.54306 11.26233 
1 1 1  -35    5   10 o   96.217   9.9404   25.364   4.9770   32.238   7.5298   20.030   6.6325  108.421   12.852   84.013   15.168 24.40800 19.88088 
1 1 1  -35    5   11 o   71.318   12.713   14.694   4.8827   14.512   7.2733   14.844   6.5878   70.880   18.714   71.756   17.212 -0.8754044 25.42537 
1 1 1  -35    5   12 o  114.039   8.1900   35.600   5.0428   34.914   7.2353   36.248   7.0322  112.936   11.856  115.142   11.302 -2.205269 16.38006 
1 1 1  -35    5   13 o  181.324   6.0830   88.916   5.9343   95.081   8.9105   84.002   7.9552  186.905   8.8225  175.742   8.3770 11.16328 12.16594 
1 1 1  -35    5   14 o   77.709   11.322   18.646   4.9152   5.6193   7.2539   29.704   6.6835   51.269   19.280  104.149   11.876 -52.88036 22.64438 
1 1 1  -35    5   15 o  161.665   6.7297   70.607   5.8405   76.630   8.8970   66.046   7.7423  167.623   9.8225  155.706   9.2019 11.91698 13.45947 
1 1 1  -35    5   16 o  107.819   13.439   33.918   7.3707   51.486   10.728   18.207   10.144  136.613   14.532   79.025   22.612 57.58808 26.87866 
1 1 1  -35    5   17 o  274.155   7.5968  204.645   11.227  186.396   15.381  225.450   16.424  261.079   10.903  287.230   10.582 -26.15094 15.19355 
1 1 1  -35    5   18 o   65.956   15.333   11.477   6.6168   6.0631   9.3989   16.797   9.3167   55.962   21.720   75.949   21.648 -19.98661 30.66571 
1 1 1  -35    5   19 o  168.719   7.9506   76.926   7.0874   73.228   9.0228   82.883   11.452  163.701   10.200  173.738   12.199 -10.03764 15.90123 
1 1 1  -35    5   20 o  140.605   10.456   52.408   6.9980   59.865   14.017   49.932   8.0767  146.218   17.740  134.992   11.072 11.22615 20.91184 
1 1 1  -35    5   21 o  179.770   12.856   89.099   12.489   0.0000   0.0000   89.099   12.489  ?   ?   179.770   12.856      ?      ? 
1 1 1  -35    5   22 o   71.255   17.741   13.696   8.3890   12.732   13.403   14.318   10.757   71.178   26.317   71.332   23.797 -0.1539688 35.48105 
1 1 1  -35    5   23 o   51.534   12.006   1.6351   5.1423   15.608   7.6281 -10.0045   6.9621   72.894   19.126   30.174   14.517 42.71973 24.01187 
1 1 1  -35    5   24 o  109.470   9.1135   33.118   5.3747   33.240   7.9181   33.015   7.3191  109.561   13.374  109.379   12.383 0.1816940 18.22694 
1 1 1  -35    5   25 o  213.325   5.9782  124.363   6.8325  104.088   9.4990  146.097   9.8349  195.141   9.0082  231.508   7.8617 -36.36737 11.95634 
1 1 1  -35    5   26 o  175.992   6.6613   84.897   6.3271   81.688   9.0520   87.963   8.8473  172.666   9.7017  179.318   9.1306 -6.651550 13.32255 
1 1 1  -35    5   27 o   83.431   14.822   15.628   6.3730   36.126   12.696   8.7239   7.3686  109.799   22.163   57.063   19.686 52.73532 29.64348 
1 1 1  -35    5   28 o  116.561   11.822   36.843   6.6036   42.140   13.055   35.022   7.6551  120.798   20.000  112.324   12.612 8.473396 23.64466 
1 1 1  -35    5   29 o  170.952   8.5483   83.297   7.4363   88.586   9.2798   73.806   12.431  179.578   9.5631  162.325   14.172 17.25230 17.09669 
1 1 1  -35    5   30 o  169.238   8.4666   79.381   7.3435   79.199   9.0574   79.730   12.545  169.663   9.8793  168.812   13.753 0.8514862 16.93317 
1 1 1  -35    5   31 o   56.204   11.110   2.3554   5.2909   21.050   7.6922 -14.4309   7.2890   84.417   17.440   27.992   13.768 56.42509 22.21975 
1 1 1  -35    5   32 o  100.832   9.9593   28.634   5.4263   28.526   7.6404   28.745   7.7078  100.650   14.048  101.014   14.121 -0.3642120 19.91854 
1 1 1  -35    5   33 o   92.233   11.387   24.749   5.4933   29.237   7.8400   20.421   7.6994  101.749   14.259   82.717   17.756 19.03188 22.77316 
1 1 1  -35    5   34 o   49.112   13.560   4.5245   5.3757   0.9610   7.7642   7.8057   7.4502   43.652   18.631   54.571   19.708 -10.91955 27.12036 
1 1 1  -35    5   35 o   45.354   13.136   2.5866   5.2443   5.3233   7.2929  -0.3439   7.5467   49.465   19.150   41.244   17.987 8.220947 26.27290 
1 1 1  -35    5   36 o   53.208   13.934   7.1753   5.3473   5.8337   7.6641   8.4478   7.4644   50.859   19.648   55.556   19.764 -4.697826 27.86866 
1 1 1  -35    5   37 o  150.989   7.7141   63.539   6.2843   68.495   9.0256   58.874   8.7553  156.810   10.652  145.167   11.161 11.64288 15.42823 
1 1 1  -35    5   38 o   47.681   12.629   2.7014   5.3072  -7.5296   7.8581   11.282   7.1965   34.241   16.174   61.120   19.399 -26.87908 25.25753 
1 1 1  -35    5   39 o   63.961   13.826   12.431   5.5614   6.7017   8.1023   17.535   7.6473   52.640   20.239   75.283   18.843 -22.64282 27.65244 
1 1 1  -35    5   40 f   74.020   13.679   16.907   5.6117   13.019   7.7309   21.237   8.1585   64.968   20.032   83.072   18.634 -18.10450 27.35828 
1 1 1  -35    5   41 o  147.971   8.0600   61.650   6.4396   58.369   8.9665   65.145   9.2542  143.834   11.536  152.107   11.259 -8.272690 16.12001 
1 1 1  -35    5   42 o   59.703   14.626   10.374   5.8468   14.180   8.6388   7.1580   7.9423   66.720   21.263   52.686   20.090 14.03329 29.25244 
1 1 1  -35    5   43 o   38.360   12.475  -4.0711   5.9408  -3.5850   8.3626  -4.5662   8.4411   38.738   17.737   37.983   17.547 0.7544594 24.95002 
1 1 1  -35    5   44 o  104.157   12.226   34.142   6.4708   23.633   9.1455   44.677   9.1566   84.772   20.244  123.541   13.716 -38.76894 24.45297 
1 1 1  -35    5   45 o   89.268   13.258   25.716   6.3445   17.164   9.0265   34.066   8.9195   71.577   21.561  106.959   15.433 -35.38219 26.51510 
1 1 1  -35    5   46 o   58.707   24.705   7.5608   13.331   0.0000   0.0000   7.5608   13.331  ?   ?    58.707   24.705      ?      ? 
1 1 1  -35    5   47 o   41.205   19.873 -13.3311   13.237   0.0000   0.0000 -13.3311   13.237  ?   ?    41.205   19.873      ?      ? 
1 1 1  -35    5   49 o   65.391   18.152   15.394   10.043   5.7590   15.173   22.905   13.397   55.570   24.807   75.213   26.508 -19.64308 36.30468 
1 1 1  -35    5   50 o   48.059   14.434   4.6074   6.6597   8.9920   9.6445   0.6113   9.2073   53.515   21.603   42.604   19.149 10.91134 28.86798 
1 1 1  -35    6    1 o  124.681   7.3559   42.511   4.9057   41.765   7.4513   43.082   6.5176  123.620   11.155  125.741   9.5922 -2.121010 14.71175 
1 1 1  -35    6    2 o   99.359   8.7054   26.994   4.6523   27.556   6.9511   26.538   6.2615  100.234   12.834   98.483   11.766 1.751602 17.41089 
1 1 1  -35    6    3 o   59.148   12.751   9.0444   4.5975   14.239   7.0317   5.1652   6.0763   70.237   18.332   48.058   17.730 22.17851 25.50275 
1 1 1  -35    6    4 o  143.368   6.7574   56.412   5.1878   52.186   7.6901   59.941   7.0278  138.310   10.289  148.427   8.7623 -10.11732 13.51486 
1 1 1  -35    6    5 o   60.520   12.941   9.8088   4.6130   13.525   7.1540   7.1641   6.0354   68.542   18.766   52.498   17.824 16.04387 25.88176 
1 1 1  -35    6    6 o  136.411   7.1896   49.911   5.2321   55.951   8.2293   45.812   6.7785  143.162   10.638  129.659   9.6749 13.50284 14.37924 
1 1 1  -35    6    7 o   80.360   11.190   18.592   4.6937   15.558   7.0991   20.947   6.2563   73.375   18.033   87.346   13.255 -13.97160 22.38051 
1 1 1  -35    6    8 o   54.631   12.891   7.0940   4.6099   11.821   7.0508   3.5650   6.0924   64.459   18.971   44.803   17.459 19.65556 25.78210 
1 1 1  -35    6    9 o   40.864   12.193   0.6701   4.5821   0.9303   6.9077   0.4656   6.1231   42.361   17.803   39.368   16.664 2.992565 24.38508 
1 1 1  -35    6   10 o  182.670   5.9989   90.347   5.8840   94.372   8.9112   87.236   7.8348  186.205   8.8564  179.135   8.0939 7.069534 11.99785 
1 1 1  -35    6   11 o   40.383   11.863  -0.9053   4.7703  -8.3880   7.1589   5.0704   6.3975   32.275   15.303   48.490   18.132 -16.21482 23.72633 
1 1 1  -35    6   12 o  140.701   7.3127   53.245   5.5188   61.817   8.4177   46.783   7.3088  150.485   10.352  130.916   10.332 19.56868 14.62532 
1 1 1  -35    6   13 o   64.127   13.388   11.296   5.0419   15.398   7.5538   8.0002   6.7709   72.882   18.989   55.371   18.879 17.51157 26.77689 
1 1 1  -35    6   14 o  230.666   7.6883  144.599   9.5830   0.0000   0.0000  144.599   9.5830  ?   ?   230.666   7.6883      ?      ? 
1 1 1  -35    6   15 o   46.010   13.553  -2.9222   6.4699 -14.7185   9.4305   7.5676   8.8929   34.358   16.620   57.661   21.414 -23.30270 27.10687 
1 1 1  -35    6   16 o   78.528   12.909   17.071   6.3772   2.4955   8.9812   31.892   9.0567   49.755   20.556  107.301   15.620 -57.54575 25.81703 
1 1 1  -35    6   17 o  205.389   8.0476  115.533   8.9307  114.482   12.520  116.622   12.743  204.450   11.333  206.328   11.429 -1.877853 16.09522 
1 1 1  -35    6   18 o  286.755   6.8205  225.045   10.275  227.002   13.116  221.937   16.531  288.726   8.4071  284.784   10.742 3.941315 13.64102 
1 1 1  -35    6   19 o   65.705   14.971   11.470   6.1313   7.7596   8.1459   16.320   9.3127   56.650   20.584   74.761   21.745 -18.11116 29.94281 
1 1 1  -35    6   20 f  171.842   9.1075   80.610   8.4570   0.0000   0.0000   80.610   8.4570  ?   ?   171.842   9.1075      ?      ? 
1 1 1  -35    6   21 o   40.761   19.011  -8.6689   10.280   0.0000   0.0000  -8.6689   10.280  ?   ?    40.761   19.011      ?      ? 
1 1 1  -35    6   22 o  193.800   9.3263  102.776   9.6967  112.928   14.834   95.203   12.813  201.928   13.595  185.672   12.771 16.25633 18.65266 
1 1 1  -35    6   23 o   44.077   12.248  -2.1991   5.2021   9.5174   7.6254 -12.3989   7.1148   59.234   20.035   28.920   14.092 30.31324 24.49509 
1 1 1  -35    6   24 o   84.314   12.033   20.734   5.2709   19.674   7.8202   21.617   7.1351   81.945   18.140   86.683   15.816 -4.738014 24.06642 
1 1 1  -35    6   25 o   48.635   13.542   4.1338   5.2478   5.7264   7.6268   2.7019   7.2320   51.668   19.690   45.601   18.597 6.066502 27.08434 
1 1 1  -35    6   26 o  128.567   8.4907   45.846   5.8750   42.422   8.4583   49.037   8.1664  123.755   12.648  133.378   11.331 -9.623253 16.98138 
1 1 1  -35    6   27 o   91.168   11.964   26.097   5.5896   11.806   8.1699   38.672   7.6641   64.132   20.703  118.204   11.999 -54.07128 23.92882 
1 1 1  -35    6   28 o   77.112   15.220   17.931   6.0819   16.734   12.126   18.333   7.0302   75.243   25.266   78.980   16.978 -3.736351 30.44052 
1 1 1  -35    6   29 o  111.858   12.367   34.934   6.6608   39.347   12.415   33.150   7.8930  114.758   20.785  108.958   13.406 5.800545 24.73360 
1 1 1  -35    6   30 o   87.162   14.164   21.547   6.4357   16.425   8.1116   30.248   10.573   73.878   19.881  100.446   20.179 -26.56724 28.32780 
1 1 1  -35    6   31 o   45.302   13.828   0.1868   6.2478   3.3415   7.8178  -5.3896   10.394   47.439   19.340   43.164   19.768 4.274750 27.65532 
1 1 1  -35    6   32 o   63.787   20.295   12.020   7.8725   12.020   7.8725   0.0000   0.0000   63.787   20.295  ?   ?       ?      ? 
1 1 1  -35    6   33 o   52.405   13.037   4.8717   5.2556   13.681   7.7468  -2.6404   7.1537   67.377   19.901   37.433   16.847 29.94429 26.07383 
1 1 1  -35    6   34 o   52.578   13.278   6.1966   5.0938   11.846   7.4576   1.2562   6.9740   63.084   19.711   42.072   17.795 21.01200 26.55576 
1 1 1  -35    6   35 o   77.625   13.152   17.894   5.5894   25.748   8.3647   11.559   7.5130   92.982   17.284   62.267   19.827 30.71511 26.30346 
1 1 1  -35    6   36 o  120.487   9.1432   40.904   5.9255   46.373   8.5671   35.887   8.2045  128.425   12.345  112.550   13.490 15.87501 18.28634 
1 1 1  -35    6   37 o  110.244   10.239   34.605   5.6851   49.622   8.5984   22.941   7.5779  132.856   11.977   87.632   16.611 45.22369 20.47854 
1 1 1  -35    6   38 o   38.696   12.254  -2.1736   5.2884  -0.2737   7.7389  -3.8380   7.2434   41.432   18.138   35.960   16.481 5.471943 24.50718 
1 1 1  -35    6   39 o   57.165   13.526   8.2391   5.5322   0.8000   7.7665   15.902   7.8823   42.903   18.479   71.427   19.757 -28.52409 27.05217 
1 1 1  -35    6   40 o   85.737   13.000   22.635   5.8473   24.892   8.2821   20.392   8.2567   90.531   17.564   80.944   19.172 9.586235 26.00093 
1 1 1  -35    6   41 o   43.077   13.152  -0.0488   5.7889   4.4945   8.1902  -4.5844   8.1833   48.680   19.815   37.473   17.299 11.20749 26.30376 
1 1 1  -35    6   42 o   39.574   12.589  -4.1982   5.9523   2.6309   8.4293 -10.9901   8.4063   46.335   19.580   32.812   15.828 13.52385 25.17703 
1 1 1  -35    6   43 o   30.151   10.468 -15.7047   5.8391 -22.4200   8.0776  -8.3550   8.4505   25.729   12.939   34.573   16.459 -8.843842 20.93649 
1 1 1  -35    6   44 o   74.583   14.916   18.677   6.3079   20.727   8.9611   16.663   8.8808   78.829   20.753   70.338   21.431 8.491074 29.83240 
1 1 1  -35    6   45 o   31.191   10.871 -17.0713   6.5464 -14.4779   9.2322 -19.6939   9.2841   32.467   15.871   29.915   14.862 2.551760 21.74275 
1 1 1  -35    6   47 o   35.414   17.796 -33.9865   15.133   0.0000   0.0000 -33.9865   15.133  ?   ?    35.414   17.796      ?      ? 
1 1 1  -35    6   48 o   46.250   21.817  -4.0383   14.208   0.0000   0.0000  -4.0383   14.208  ?   ?    46.250   21.817      ?      ? 
1 1 1  -35    6   49 o   48.590   15.307   1.4667   7.9180  -2.2292   10.075   7.4369   12.805   42.090   19.345   55.091   23.729 -13.00065 30.61464 
1 1 1  -35    6   50 o  140.814   9.9224   61.296   7.5250   65.823   10.587   56.674   10.697  146.929   13.335  134.699   14.697 12.22992 19.84485 
1 1 1  -35    7    1 o   43.031   12.357   2.0948   4.5616  -0.2375   6.8154   3.9875   6.1395   40.336   17.342   45.726   17.608 -5.389931 24.71377 
1 1 1  -35    7    2 o  123.537   7.6326   41.317   5.0509   44.455   7.7712   39.022   6.6462  127.499   11.280  119.575   10.286 7.924484 15.26527 
1 1 1  -35    7    3 o  100.494   9.1014   26.902   4.8511   35.472   7.5622   20.908   6.3237  113.764   12.301   87.223   13.417 26.54070 18.20272 
1 1 1  -35    7    4 o   51.028   13.086   6.1269   4.6486   5.8112   6.8151   6.4017   6.3570   50.816   18.771   51.240   18.238 -0.4242134 26.17193 
1 1 1  -35    7    5 o  132.720   7.3245   47.644   5.2290   53.782   7.8260   42.693   7.0280  140.378   10.317  125.062   10.400 15.31570 14.64899 
1 1 1  -35    7    6 o   36.038   11.035  -3.6655   4.5642 -13.7761   7.1558   3.2686   5.9261   28.285   13.857   43.790   17.176 -15.50551 22.06916 
1 1 1  -35    7    7 o   97.330   9.3163   26.228   4.8158   24.783   7.4130   27.283   6.3346   94.829   14.467   99.832   11.742 -5.002777 18.63251 
1 1 1  -35    7    8 o  175.047   6.2189   81.853   5.8177   94.135   9.0888   73.327   7.5723  185.927   9.0463  164.167   8.5360 21.76025 12.43784 
1 1 1  -35    7    9 o   85.949   10.997   20.412   4.9672   24.558   7.5559   17.257   6.5918   94.339   14.822   77.560   16.248 16.77866 21.99322 
1 1 1  -35    7   10 o  164.741   6.5454   73.255   5.7962   80.815   8.7623   67.373   7.7288  172.204   9.4164  157.277   9.0941 14.92697 13.09090 
1 1 1  -35    7   11 o  203.271   5.9375  111.744   6.4924  119.260   9.7584  105.775   8.6963  209.328   8.6271  197.214   8.1603 12.11385 11.87506 
1 1 1  -35    7   12 o  187.312   6.2473   96.008   6.2667   91.616   9.3898   99.535   8.4150  183.321   9.4789  191.303   8.1404 -7.981934 12.49463 
1 1 1  -35    7   13 o  186.092   7.1685   92.674   7.0995   84.483   9.1332  105.180   11.285  176.007   9.6030  196.178   10.646 -20.17065 14.33699 
1 1 1  -35    7   14 o   62.380   15.029   9.8656   6.3492   14.604   8.8298   4.7928   9.1364   71.270   21.293   53.491   21.217 17.77971 30.05863 
1 1 1  -35    7   15 o   51.713   14.638   3.9800   6.1744   5.5653   9.3316   2.7455   8.2349   55.031   21.563   48.394   19.803 6.637753 29.27638 
1 1 1  -35    7   16 o   46.739   13.589   2.1424   5.6317  -3.6329   9.5420   5.2294   6.9763   43.624   19.559   49.854   18.872 -6.230518 27.17862 
1 1 1  -35    7   17 o  145.676   8.5708   57.833   6.7009   54.510   8.8794   62.230   10.213  140.944   11.659  150.407   12.566 -9.462662 17.14150 
1 1 1  -35    7   18 o  107.505   11.498   32.061   6.3927   24.278   8.5020   42.185   9.6967   91.628   17.813  123.381   14.544 -31.75239 22.99630 
1 1 1  -35    7   19 o   96.906   11.585   25.627   5.6853   30.158   9.7679   23.305   6.9916  102.096   18.381   91.716   14.107 10.37952 23.17093 
1 1 1  -35    7   20 o   70.505   18.924   14.554   7.3605   0.0000   0.0000   14.554   7.3605  ?   ?    70.505   18.924      ?      ? 
1 1 1  -35    7   21 o   81.883   16.930   20.664   8.3942   11.273   13.412   26.712   10.763   68.983   26.154   94.784   21.507 -25.80013 33.86093 
1 1 1  -35    7   22 o   68.136   17.242   10.830   8.0862   18.320   12.880   5.9572   10.389   79.207   26.022   57.065   22.627 22.14243 34.48375 
1 1 1  -35    7   23 f   57.110   20.259   8.3832   7.8379   8.3832   7.8379   0.0000   0.0000   57.110   20.259  ?   ?       ?      ? 
1 1 1  -35    7   24 o   93.076   11.348   24.733   5.5491   23.757   8.1844   25.564   7.5493   90.396   17.387   95.757   14.590 -5.360893 22.69698 
1 1 1  -35    7   25 o   48.774   13.437   3.7063   5.2681   8.0737   7.7932   0.0313   7.1488   56.287   20.177   41.262   17.751 15.02439 26.87363 
1 1 1  -35    7   26 f   85.704   12.074   21.598   5.4342   17.790   8.0470   24.790   7.3682   77.282   19.321   94.126   14.486 -16.84342 24.14867 
1 1 1  -35    7   27 o   68.068   13.333   13.189   5.2571   19.356   7.8643   8.2057   7.0686   80.741   18.431   55.395   19.272 25.34621 26.66647 
1 1 1  -35    7   28 o   36.409   11.810  -4.5751   5.2784  -6.0421   7.8344  -3.3555   7.1430   36.033   16.736   36.784   16.668 -0.7509995 23.62054 
1 1 1  -35    7   29 o  179.864   8.6347   85.777   7.5371   99.572   14.684   80.843   8.7822  188.228   14.437  171.500   9.4765 16.72809 17.26941 
1 1 1  -35    7   30 o   57.920   15.510   8.1247   6.2387   6.5383   11.996   8.7129   7.3042   59.369   24.049   56.472   19.594 2.897453 31.01997 
1 1 1  -35    7   31 o  107.858   11.984   34.427   6.6014   37.157   8.6243   30.563   10.259  114.862   13.895  100.853   19.529 14.00909 23.96801 
1 1 1  -35    7   32 o  178.666   6.9328   87.960   6.6880   92.238   9.6829   84.057   9.2485  182.815   9.8018  174.517   9.8072 8.297958 13.86565 
1 1 1  -35    7   33 o  216.670   6.1647  129.031   7.2105  129.991   10.450  128.160   9.9617  217.361   8.8971  215.979   8.5356 1.381714 12.32944 
1 1 1  -35    7   34 o   44.389   13.270   1.5755   5.4422   2.4334   8.2239   0.9071   7.2589   46.594   19.494   42.184   18.010 4.410004 26.53988 
1 1 1  -35    7   35 o  139.146   8.1233   54.210   6.0907   52.852   8.8808   55.416   8.3691  137.298   11.970  140.994   10.985 -3.696259 16.24656 
1 1 1  -35    7   36 o  170.207   7.2532   80.835   6.6092   78.305   9.9524   82.831   8.8399  167.454   10.999  172.959   9.4583 -5.504639 14.50632 
1 1 1  -35    7   37 o   50.131   13.651   5.3286   5.4563   1.0427   7.9708   9.1079   7.4849   43.721   18.774   56.542   19.822 -12.82127 27.30196 
1 1 1  -35    7   38 o   39.977   12.544  -1.7413   5.4747   1.1938   7.8331  -4.5442   7.6547   43.581   18.660   36.374   16.770 7.206520 25.08877 
1 1 1  -35    7   39 o   86.066   12.951   22.655   5.8393   20.682   8.1122   24.775   8.4120   81.868   18.742   90.263   17.879 -8.395470 25.90181 
1 1 1  -35    7   40 o   86.496   13.209   23.369   6.2070   14.790   8.7362   32.113   8.8203   68.172   21.340  104.819   15.572 -36.64650 26.41744 
1 1 1  -35    7   41 o   58.326   14.023   8.6785   6.1333   17.439   8.4960  -0.8557   8.8632   73.705   20.556   42.946   19.079 30.75883 28.04579 
1 1 1  -35    7   42 o   62.834   12.417   8.9524   6.1706   25.285   8.5443  -8.8515   8.9209   90.110   18.175   35.557   16.923 54.55260 24.83390 
1 1 1  -35    7   43 o   60.629   15.255   11.590   6.4232   14.683   8.9439   8.2966   9.2306   66.320   21.679   54.937   21.468 11.38300 30.51006 
1 1 1  -35    7   44 o   71.175   22.342   17.129   9.5690   0.0000   0.0000   17.129   9.5690  ?   ?    71.175   22.342      ?      ? 
1 1 1  -35    7   45 o  173.104   15.588   88.964   14.580   0.0000   0.0000   88.964   14.580  ?   ?   173.104   15.588      ?      ? 
1 1 1  -35    7   46 o   39.448   13.559 -17.5752   9.3916 -29.0090   14.120  -8.5045   12.577   35.963   17.941   42.934   20.335 -6.970768 27.11787 
1 1 1  -35    7   48 o   61.835   16.943   9.8220   10.006 -11.9595   15.520   25.315   13.090   44.397   21.439   79.273   26.242 -34.87645 33.88622 
1 1 1  -35    7   49 o   56.656   14.532   6.6442   7.2218  -8.3871   10.109   22.312   10.321   36.904   17.686   76.408   23.064 -39.50366 29.06449 
1 1 1  -35    8    1 o  170.222   6.3562   79.137   5.7716   77.521   8.8516   80.331   7.6124  168.591   9.7163  171.852   8.1974 -3.261520 12.71235 
1 1 1  -35    8    2 o  118.078   8.0865   37.812   5.0761   40.069   8.0215   36.304   6.5556  120.873   12.281  115.283   10.523 5.590340 16.17308 
1 1 1  -35    8    3 o  178.360   6.1173   87.051   5.8521   82.125   8.6724   91.170   7.9297  173.608   9.2444  183.111   8.0140 -9.503235 12.23454 
1 1 1  -35    8    4 o  142.670   7.1094   56.340   5.3972   49.316   8.0277   62.134   7.2910  134.290   11.063  151.051   8.9325 -16.76106 14.21872 
1 1 1  -35    8    5 o   74.837   11.755   17.249   4.7976   8.6814   7.5030   23.175   6.2399   57.777   19.869   91.897   12.566 -34.11968 23.50905 
1 1 1  -35    8    6 o   73.539   12.244   16.185   4.9469   10.169   7.7617   20.300   6.4197   61.212   20.205   85.866   13.836 -24.65364 24.48815 
1 1 1  -35    8    7 o   66.539   11.908   13.144   4.8912   3.5312   7.6616   19.758   6.3547   48.377   19.351   84.701   13.884 -36.32430 23.81635 
1 1 1  -35    8    8 o   37.483   11.724  -2.3591   4.8154  -7.3601   7.6813   0.8787   6.1806   34.798   16.297   40.167   16.858 -5.368279 23.44737 
1 1 1  -35    8    9 o   55.173   13.516   7.7611   4.8570   8.1646   7.5758   7.4795   6.3287   56.785   19.940   53.562   18.252 3.222916 27.03230 
1 1 1  -35    8   10 o  259.542   5.6199  182.094   7.8162  191.298   11.964  175.240   10.324  265.143   8.3501  253.940   7.5238 11.20331 11.23973 
1 1 1  -35    8   12 o   94.787   13.618   25.954   6.7310   28.356   9.8237   23.829   9.2411   99.058   19.044   90.517   19.471 8.541740 27.23611 
1 1 1  -35    8   13 o  240.031   7.5793  156.925   9.7806  164.054   14.715  151.284   13.091  244.779   11.125  235.283   10.296 9.496765 15.15867 
1 1 1  -35    8   14 o  198.427   7.9926  107.731   8.5628  112.162   12.419  103.716   11.822  202.296   11.361  194.558   11.245 7.737411 15.98514 
1 1 1  -35    8   15 o  246.758   6.6714  164.486   8.4281  171.599   14.587  160.922   10.326  250.335   10.783  243.181   7.8583 7.153824 13.34275 
1 1 1  -35    8   16 o  148.112   11.435   60.211   9.1517   60.211   9.1517   0.0000   0.0000  148.112   11.435  ?   ?       ?      ? 
1 1 1  -35    8   17 o   72.576   14.546   15.195   5.9464   13.254   7.9266   17.694   8.9931   67.696   20.163   77.456   20.972 -9.759521 29.09192 
1 1 1  -35    8   18 o   53.602   14.075   4.2540   5.4348   12.520   9.4342   0.1481   6.6490   67.000   22.283   40.203   17.202 26.79695 28.15088 
1 1 1  -35    8   19 o  184.050   7.9464   99.455   7.2434   74.550   12.061  113.507   9.0593  164.065   13.604  204.035   8.2168 -39.96971 15.89282 
1 1 1  -35    8   20 o   49.769   15.719  -3.5307   8.2267  -0.4624   13.895  -5.1869   10.208   56.004   24.416   43.534   19.804 12.46995 31.43765 
1 1 1  -35    8   21 o  145.931   11.630   57.590   8.9870   71.419   14.595   49.144   11.406  159.363   16.948  132.499   15.930 26.86447 23.25969 
1 1 1  -35    8   22 o  209.883   7.6848  122.042   8.4441  125.237   10.776  116.959   13.592  213.941   9.3212  205.824   12.220 8.117111 15.36964 
1 1 1  -35    8   23 o   76.187   13.095   16.775   5.3964   22.156   8.0708   12.425   7.2572   87.079   17.754   65.295   19.255 21.78336 26.19063 
1 1 1  -35    8   24 o   48.597   13.616   3.9023   5.3069   6.0039   8.0314   2.2736   7.0703   52.769   20.183   44.424   18.283 8.345345 27.23282 
1 1 1  -35    8   25 f  143.721   7.7277   55.992   5.9485   66.953   9.0845   47.765   7.8703  155.863   10.786  131.579   11.069 24.28406 15.45547 
1 1 1  -35    8   26 o  180.665   6.6642   89.112   6.4451   93.191   9.9002   86.112   8.4908  184.067   9.9536  177.263   8.8643 6.803619 13.32850 
1 1 1  -35    8   27 o  164.527   7.0825   75.157   6.2346   68.163   9.1959   81.106   8.4814  157.125   10.831  171.928   9.1292 -14.80322 14.16501 
1 1 1  -35    8   28 o  118.775   8.9176   38.921   5.6967   43.741   8.5513   35.076   7.6384  125.319   12.628  112.231   12.595 13.08823 17.83529 
1 1 1  -35    8   29 o  169.844   7.1436   80.051   6.4675   76.468   9.8632   82.754   8.5661  166.170   10.984  173.518   9.1359 -7.348068 14.28715 
1 1 1  -35    8   30 o  256.238   7.7897  185.051   9.7079  175.068   17.934  189.188   11.546  249.758   13.288  262.718   8.1330 -12.95972 15.57944 
1 1 1  -35    8   31 o   65.468   14.542   12.095   5.7789   17.146   8.9703   8.5113   7.5556   74.781   21.217   56.156   19.895 18.62550 29.08498 
1 1 1  -35    8   32 o  137.485   9.7894   53.008   7.1512   51.602   9.2570   55.090   11.262  135.728   12.622  139.243   14.968 -3.514297 19.57880 
1 1 1  -35    8   33 o  148.990   8.1600   61.631   6.4943   75.267   9.5423   49.865   8.8640  164.589   10.729  133.391   12.297 31.19777 16.31991 
1 1 1  -35    8   34 o   41.145   12.752  -1.1970   5.3640   2.2193   8.4439  -3.5084   6.9454   46.647   19.647   35.643   16.261 11.00402 25.50369 
1 1 1  -35    8   35 o   75.167   13.899   17.444   5.6371   17.510   8.9113   17.400   7.2784   74.765   21.124   75.569   18.069 -0.8037186 27.79739 
1 1 1  -35    8   36 o  120.274   9.1241   41.146   5.8775   39.529   8.8025   42.446   7.8953  117.715   13.838  122.832   11.895 -5.117706 18.24816 
1 1 1  -35    8   37 o   46.056   13.573   2.6352   5.5997   4.2621   8.3139   1.2843   7.5759   49.002   19.957   43.111   18.402 5.890472 27.14622 
1 1 1  -35    8   38 o   93.893   12.278   26.512   6.0162   24.836   9.0956   27.815   8.0217   89.624   19.348   98.161   15.123 -8.537315 24.55693 
1 1 1  -35    8   39 o   45.685   13.334   2.3904   5.5936  -2.4224   8.1883   6.6014   7.6593   39.815   17.961   51.555   19.712 -11.73993 26.66748 
1 1 1  -35    8   40 o   90.980   12.932   25.435   6.1064   27.447   9.2105   23.858   8.1568   93.928   18.803   88.033   17.760 5.895058 25.86403 
1 1 1  -35    8   41 o   69.821   14.143   15.569   6.0071   8.6082   8.6534   22.043   8.3455   55.904   21.052   83.738   18.893 -27.83355 28.28617 
1 1 1  -35    8   42 o   40.017   12.852  -2.5741   6.0514  -0.7422   8.8255  -4.1995   8.3133   42.366   18.915   37.668   17.406 4.698086 25.70489 
1 1 1  -35    8   43 o   75.180   14.719   18.595   6.2632   23.376   9.2412   14.534   8.5179   84.134   20.512   66.225   21.114 17.90920 29.43742 
1 1 1  -35    8   44 o   48.438   14.300   0.6277   7.1074 -11.2796   10.535   10.573   9.6285   37.468   17.983   59.409   22.238 -21.94127 28.59927 
1 1 1  -35    8   45 o   52.872   16.558   1.6530   9.5022   6.1014   13.265  -3.0360   13.619   56.742   24.289   49.001   22.510 7.741196 33.11533 
1 1 1  -35    8   46 o   59.202   17.544   9.5405   9.8851   19.115   14.265   0.6950   13.711   68.769   26.739   49.635   22.722 19.13381 35.08881 
1 1 1  -35    8   47 o   44.046   14.925  -8.1030   9.8973  -7.2477   15.819  -8.6532   12.687   46.633   22.289   41.459   19.855 5.174580 29.84957 
1 1 1  -35    8   48 o   66.455   18.629   15.853   9.8759   23.941   15.592   10.435   12.762   74.654   28.224   58.256   24.321 16.39785 37.25742 
1 1 1  -35    8   49 o   39.734   12.914  -4.2930   6.7451 -13.5107   9.5895   4.7330   9.4892   32.396   15.906   47.071   20.350 -14.67522 25.82852 
1 1 1  -35    9    1 o  114.894   8.5676   37.100   5.1090   32.702   8.1826   39.910   6.5406  108.896   13.906  120.892   10.012 -11.99603 17.13516 
1 1 1  -35    9    2 o  147.671   7.1523   59.998   5.5843   57.297   8.7478   61.856   7.2550  144.667   11.190  150.674   8.9106 -6.007080 14.30461 
1 1 1  -35    9    3 o   45.836   11.724   2.0305   4.7798 -10.5102   7.6426   10.087   6.1256   32.040   15.361   59.632   17.717 -27.59166 23.44892 
1 1 1  -35    9    4 o  161.421   6.8370   71.889   5.8650   66.041   8.9306   76.324   7.7772  155.419   10.634  167.423   8.5965 -12.00467 13.67396 
1 1 1  -35    9    5 o   50.724   13.235   5.8850   4.7564   4.5653   7.6191   6.7277   6.0886   49.997   19.513   51.452   17.887 -1.455345 26.47084 
1 1 1  -35    9    6 o  145.092   7.0806   56.900   5.5066   61.948   8.4584   53.186   7.2544  150.562   10.396  139.623   9.6152 10.93930 14.16120 
1 1 1  -35    9    7 o  111.783   8.6034   34.499   5.1061   33.107   7.9061   35.496   6.6879  109.661   13.342  113.905   10.866 -4.244247 17.20685 
1 1 1  -35    9    8 o   75.396   12.834   16.830   5.1438   14.202   8.0181   18.668   6.7055   70.082   20.118   80.710   15.941 -10.62753 25.66765 
1 1 1  -35    9    9 o   38.462   11.750  -5.2396   4.8394   4.7815   7.6554 -11.9100   6.2458   50.420   19.592   26.504   12.977 23.91525 23.50011 
1 1 1  -35    9   10 o  138.404   8.9486   53.063   6.6370   59.384   9.2486   46.351   9.5302  147.153   11.631  129.655   13.603 17.49803 17.89727 
1 1 1  -35    9   11 o  241.026   7.4436  158.941   9.6845  158.694   14.014  159.167   13.399  240.776   10.771  241.275   10.277 -0.4990082 14.88724 
1 1 1  -35    9   12 o  170.141   8.3294   79.432   7.6496   80.450   11.109   78.513   10.549  171.124   12.013  169.159   11.541 1.964569 16.65874 
1 1 1  -35    9   13 o  101.243   11.323   25.854   5.7406   40.225   10.349   19.468   6.8992  120.189   15.935   82.298   16.091 37.89118 22.64608 
1 1 1  -35    9   14 o   49.123   12.917   4.6180   5.0536  -2.8629   8.1968   9.2054   6.4187   40.744   18.207   57.503   18.328 -16.75974 25.83469 
1 1 1  -35    9   15 o   69.339   20.128   13.999   7.9862   13.999   7.9862   0.0000   0.0000   69.339   20.128  ?   ?       ?      ? 
1 1 1  -35    9   16 o  170.109   7.7706   79.787   7.1090   84.831   9.8111   74.212   10.315  175.954   10.319  164.265   11.621 11.68814 15.54112 
1 1 1  -35    9   17 o   62.292   13.678   11.116   5.3241   6.2452   8.1760   14.703   7.0154   53.718   20.407   70.867   18.219 -17.14809 27.35652 
1 1 1  -35    9   18 o   78.698   14.219   18.436   5.8069   17.259   10.340   18.978   7.0180   76.472   23.086   80.923   16.606 -4.451591 28.43809 
1 1 1  -35    9   19 o   36.785   12.642 -10.3589   6.1598 -22.0068   14.448  -7.7716   6.8096   42.065   20.402   31.504   14.934 10.56103 25.28339 
1 1 1  -35    9   20 o   48.229   15.458  -6.3979   8.3887  -0.0179   13.861 -10.0856   10.538   56.256   24.457   40.201   18.910 16.05535 30.91533 
1 1 1  -35    9   21 o  292.633   9.5389  224.742   14.223  138.604   18.135  362.387   22.924  222.736   15.067  362.530   11.702 -139.7945 19.07787 
1 1 1  -35    9   22 o   94.515   11.836   27.246   5.6122   18.144   8.5709   34.078   7.4255   78.050   20.175  110.980   12.382 -32.93052 23.67147 
1 1 1  -35    9   23 o   98.174   10.654   26.813   5.6278   30.366   8.3651   23.875   7.6068  104.116   14.868   92.232   15.263 11.88371 21.30772 
1 1 1  -35    9   24 o  234.842   6.0502  151.484   7.6238  145.822   11.352  156.135   10.290  230.630   9.1086  239.053   7.9658 -8.423615 12.10045 
1 1 1  -35    9   25 o   55.593   14.082   7.9022   5.2951   8.7576   8.3055   7.3164   6.8730   57.961   20.824   53.226   18.962 4.735004 28.16334 
1 1 1  -35    9   26 o  103.543   10.335   29.642   5.7325   35.453   8.7292   25.235   7.6013  112.387   14.374   94.699   14.854 17.68833 20.67024 
1 1 1  -35    9   27 o   80.050   12.894   18.721   5.4187   22.261   8.3417   16.136   7.1273   86.516   18.408   73.584   18.059 12.93246 25.78768 
1 1 1  -35    9   28 o   61.226   12.506   9.6459   5.5563  -3.3216   8.2973   20.189   7.4816   39.922   18.038   82.531   17.328 -42.60888 25.01272 
1 1 1  -35    9   29 o   58.560   14.148   9.6683   5.4456   7.2592   8.3196   11.474   7.2030   54.796   20.640   62.324   19.355 -7.528797 28.29562 
1 1 1  -35    9   30 o   55.056   12.772   6.4287   5.5875  -6.5168   8.5959   15.900   7.3527   37.516   17.460   72.596   18.645 -35.08070 25.54417 
1 1 1  -35    9   31 o   48.171   14.921  -0.0594   6.3613   3.0946   13.101  -1.0323   7.2767   56.634   24.188   39.707   17.480 16.92714 29.84291 
1 1 1  -35    9   32 o   49.406   13.822   2.8889   5.8517   9.9345   8.6592  -3.0330   7.9387   59.777   21.285   39.035   17.640 20.74228 27.64473 
1 1 1  -35    9   33 o   56.510   15.633   5.7697   6.8590   1.7065   8.6091   12.831   11.349   46.299   19.686   66.722   24.289 -20.42358 31.26505 
1 1 1  -35    9   34 o  147.111   8.4843   62.253   6.5640   50.362   9.7676   72.045   8.8640  133.203   13.570  161.018   10.187 -27.81487 16.96856 
1 1 1  -35    9   35 o  103.093   10.903   30.621   6.0663   32.574   8.8370   28.879   8.3426  106.205   15.398   99.982   15.441 6.222168 21.80700 
1 1 1  -35    9   36 o  109.481   10.529   34.780   6.1725   30.690   8.9102   38.554   8.5589  102.691   16.057  116.271   13.623 -13.58028 21.05715 
1 1 1  -35    9   37 o   50.691   14.040   4.4156   5.8280   10.244   8.7206  -0.2882   7.8344   59.739   21.351   41.644   18.239 18.09557 28.08090 
1 1 1  -35    9   38 o   96.130   12.244   27.572   6.1451   28.614   9.4932   26.820   8.0621   96.292   18.920   95.968   15.547 0.3239899 24.48761 
1 1 1  -35    9   39 f   86.718   13.397   23.401   6.1205   28.327   8.9443   19.063   8.3934   96.062   17.889   77.374   19.948 18.68845 26.79418 
1 1 1  -35    9   40 o   52.814   14.749   6.6213   6.2144   5.6176   9.3727   7.4086   8.3015   52.124   21.205   53.505   20.506 -1.381638 29.49809 
1 1 1  -35    9   41 o   80.184   14.487   21.307   6.4093   16.676   9.2393   25.603   8.8986   70.672   21.917   89.697   18.953 -19.02528 28.97498 
1 1 1  -35    9   42 o   92.131   13.388   27.085   6.5590   21.598   9.1810   32.804   9.3735   80.376   20.932  103.886   16.698 -23.51038 26.77596 
1 1 1  -35    9   43 o   43.616   13.687  -2.5020   6.6452   5.2789   9.9726  -8.7160   8.9121   51.806   21.553   35.425   16.875 16.38187 27.37325 
1 1 1  -35    9   44 o   98.717   17.900   34.381   9.7103   40.968   13.903   28.108   13.568  109.402   24.163   88.032   26.415 21.36948 35.79999 
1 1 1  -35    9   45 o   51.077   16.067  -2.4930   9.7574   12.840   13.892 -17.4234   13.708   62.715   25.698   39.440   19.292 23.27498 32.13370 
1 1 1  -35    9   46 o   50.545   21.727   6.1429   10.695   0.0000   0.0000   6.1429   10.695  ?   ?    50.545   21.727      ?      ? 
1 1 1  -35    9   47 o   54.090   17.158   4.3422   10.441   1.2198   15.887   6.7162   13.853   52.805   24.278   55.375   24.254 -2.569767 34.31683 
1 1 1  -35    9   48 o  103.381   17.073   40.396   9.1344   37.349   11.526   45.541   14.977  101.389   21.694  105.372   26.368 -3.982437 34.14502 
1 1 1  -35   10    1 o  136.658   7.4792   50.396   5.4392   55.297   8.6144   47.146   7.0142  141.988   11.228  131.327   9.8840 10.66029 14.95835 
1 1 1  -35   10    2 o   49.942   12.780   5.3832   4.8282  -0.7794   7.6254   9.5070   6.2378   41.741   18.144   58.143   18.004 -16.40290 25.56070 
1 1 1  -35   10    3 o  165.841   6.7242   75.900   5.9017   70.770   9.1510   79.553   7.7222  160.793   10.532  170.889   8.3626 -10.09578 13.44835 
1 1 1  -35   10    4 o  154.816   6.9749   64.894   5.6825   68.133   9.2389   62.924   7.2069  157.712   10.841  151.920   8.7790 5.791412 13.94983 
1 1 1  -35   10    5 o  108.216   9.4856   31.988   5.4379   33.935   8.6891   30.734   6.9720  110.703   14.525  105.730   12.203 4.973495 18.97121 
1 1 1  -35   10    6 o   76.326   12.829   16.256   5.1452   21.200   8.2823   13.150   6.5658   85.347   18.493   67.305   17.785 18.04201 25.65753 
1 1 1  -35   10    7 o  120.954   8.4212   39.223   5.4320   46.702   8.5632   34.188   7.0267  130.324   12.160  111.584   11.654 18.74001 16.84237 
1 1 1  -35   10    8 o   56.537   14.496   7.5810   5.7571   9.8922   8.3170   5.4550   7.9771   60.961   20.922   52.113   20.069 8.847988 28.99132 
1 1 1  -35   10    9 o   52.392   13.860   4.1016   6.0943  -6.1486   9.3829   11.581   8.0150   40.639   18.674   64.145   20.485 -23.50589 27.71931 
1 1 1  -35   10   10 o  123.855   10.412   41.665   6.8932   49.797   10.715   35.923   9.0036  133.926   14.806  113.783   14.644 20.14285 20.82445 
1 1 1  -35   10   11 o   72.835   15.149   15.516   6.3378   15.158   9.5652   15.797   8.4620   72.296   22.280   73.373   20.533 -1.076630 30.29873 
1 1 1  -35   10   12 o   42.760   12.249   0.0524   5.1032 -10.3066   8.1681   6.6850   6.5358   33.669   16.071   51.851   18.489 -18.18260 24.49733 
1 1 1  -35   10   13 o  215.710   6.1827  127.186   7.0910  125.937   11.030  128.066   9.2579  214.607   9.5110  216.813   7.9021 -2.206619 12.36533 
1 1 1  -35   10   14 o   53.704   12.161   0.5019   5.2208   18.230   8.4747 -10.3413   6.6277   78.577   19.929   28.831   13.944 49.74557 24.32273 
1 1 1  -35   10   15 o   47.021   13.748   1.8286   5.7955  -1.2053   8.1556   4.9234   8.2371   42.501   18.612   51.541   20.240 -9.039951 27.49654 
1 1 1  -35   10   16 o  148.942   8.9524   59.923   6.8948   39.004   9.0806   88.401   10.595  118.495   14.182  179.390   10.930 -60.89551 17.90477 
1 1 1  -35   10   17 o  195.924   7.3513  103.335   7.3878  111.599   12.830   99.236   9.0363  201.245   11.798  190.603   8.7734 10.64175 14.70261 
1 1 1  -35   10   18 o  153.416   7.9523   67.440   6.2913   53.167   9.8083   77.418   8.2006  138.554   13.100  168.278   9.0184 -29.72411 15.90452 
1 1 1  -35   10   19 o   76.537   17.805   17.438   8.7786   9.9685   14.676   21.599   10.954   68.480   26.976   84.594   23.246 -16.11444 35.61065 
1 1 1  -35   10   20 o   97.767   17.103   28.335   8.5789   31.824   15.015   26.644   10.453  101.078   26.985   94.457   21.021 6.620667 34.20638 
1 1 1  -35   10   21 o   44.988   14.148  -2.3998   6.7101  -3.3081   8.5193  -0.9155   10.890   40.845   18.383   49.130   21.512 -8.285065 28.29668 
1 1 1  -35   10   22 o  158.640   7.5453   67.536   6.3787   81.294   10.083   58.357   8.2361  171.699   10.868  145.580   10.470 26.11906 15.09058 
1 1 1  -35   10   23 o  197.790   6.5277  105.964   6.9063  116.854   10.723   98.243   9.0283  206.232   9.6218  189.347   8.8239 16.88525 13.05531 
1 1 1  -35   10   24 o   86.413   12.337   21.837   5.4960   22.781   8.5509   21.173   7.1742   87.585   18.640   85.242   16.167 2.343315 24.67382 
1 1 1  -35   10   25 o  106.265   10.138   31.115   5.7665   37.009   8.8832   26.822   7.5809  114.805   14.319   97.725   14.356 17.07947 20.27630 
1 1 1  -35   10   26 o  149.856   7.9178   59.470   6.2255   84.478   9.9330   43.292   7.9893  174.885   10.511  124.828   11.844 50.05699 15.83562 
1 1 1  -35   10   27 o  127.267   8.8883   43.780   6.0121   54.901   9.5721   36.534   7.7262  140.159   12.639  114.376   12.501 25.78314 17.77663 
1 1 1  -35   10   28 o  188.135   6.8420   97.988   6.9146   93.635   10.209  101.677   9.3986  184.019   10.267  192.251   9.0471 -8.232452 13.68400 
1 1 1  -35   10   29 f  160.479   7.5489   72.620   6.4232   61.386   9.5127   82.034   8.7081  148.398   11.863  172.561   9.3388 -24.16344 15.09772 
1 1 1  -35   10   30 o   87.103   13.097   22.310   5.9480   28.008   9.1449   18.133   7.8308   96.886   18.134   77.320   18.901 19.56670 26.19336 
1 1 1  -35   10   31 o  105.161   10.910   31.132   6.0816   34.355   9.7569   29.084   7.7771  109.092   16.551  101.229   14.218 7.862778 21.81941 
1 1 1  -35   10   32 o   99.886   15.972   30.585   7.3441   31.869   15.682   30.225   8.3119   96.990   28.221  102.782   14.966 -5.792198 31.94317 
1 1 1  -35   10   33 o   74.293   14.267   17.808   6.2441   9.9231   9.6088   23.571   8.2151   60.251   22.282   88.335   17.825 -28.08414 28.53450 
1 1 1  -35   10   34 o  107.370   14.544   39.438   7.7632   49.595   9.8485   22.770   12.616  131.859   13.822   82.881   25.595 48.97807 29.08891 
1 1 1  -35   10   35 o   44.355   13.389   0.4276   5.9642  -5.4687   8.9614   5.1161   7.9910   38.924   18.016   49.786   19.812 -10.86183 26.77854 
1 1 1  -35   10   36 o   50.126   13.943   2.5969   6.0316   11.702   9.1425  -4.4204   8.0260   62.743   21.912   37.508   17.249 25.23448 27.88677 
1 1 1  -35   10   37 o  230.199   8.9922  146.895   11.186   0.0000   0.0000  146.895   11.186  ?   ?   230.199   8.9922      ?      ? 
1 1 1  -35   10   38 f   40.957   13.094  -2.5769   6.2180  -5.8249   9.6466  -0.2683   8.1329   39.912   18.549   42.002   18.485 -2.089909 26.18724 
1 1 1  -35   10   39 o  117.494   14.409   40.051   9.1482   0.0000   0.0000   40.051   9.1482  ?   ?   117.494   14.409      ?      ? 
1 1 1  -35   10   40 o   49.623   14.414   4.2291   6.3903  -0.0436   9.0770   8.4277   8.9981   43.849   19.402   55.397   21.321 -11.54845 28.82713 
1 1 1  -35   10   41 o   61.209   13.972   8.9241   6.4989   22.961   9.5118  -3.3658   8.9002   82.721   21.186   39.698   18.222 43.02297 27.94440 
1 1 1  -35   10   42 o   45.806   14.018  -0.5372   6.5948   7.5374   10.085  -6.5695   8.7168   55.005   22.131   36.608   17.213 18.39706 28.03672 
1 1 1  -35   10   43 o  196.491   11.189  114.984   11.872  115.878   16.534  114.032   17.057  197.672   15.479  195.310   16.162 2.362686 22.37879 
1 1 1  -35   10   44 o   78.124   17.526   21.527   9.4981   7.4550   13.404   35.721   13.461   57.210   24.450   99.039   25.116 -41.82909 35.05202 
1 1 1  -35   10   45 o  111.745   17.852   48.910   10.477   49.775   15.726   48.221   14.049  110.424   26.658  113.066   23.750 -2.642708 35.70311 
1 1 1  -35   10   46 o   70.562   18.527   19.082   10.336   7.3784   15.183   29.189   14.109   56.953   25.152   84.171   27.211 -27.21822 37.05467 
1 1 1  -35   10   47 o   61.638   18.243   13.817   10.041   16.750   15.747   11.806   13.035   64.496   26.978   58.780   24.563 5.716824 36.48534 
1 1 1  -35   10   48 o  104.832   13.780   38.411   7.6030   36.480   11.091   40.124   10.443   99.853   21.209  109.810   17.600 -9.956505 27.56045 
1 1 1  -35   11    1 o  154.036   7.1835   64.426   5.8180   67.433   9.4734   62.606   7.3720  156.672   11.190  151.400   9.0110 5.272064 14.36702 
1 1 1  -35   11    2 o   87.577   11.583   22.740   5.1176   18.495   8.2726   25.372   6.5135   79.254   19.460   95.901   12.569 -16.64706 23.16582 
1 1 1  -35   11    3 o   75.213   12.273   17.460   5.0612   9.7752   8.0583   22.467   6.5041   60.299   20.595   90.127   13.355 -29.82717 24.54640 
1 1 1  -35   11    4 o   64.968   13.361   11.907   4.8843   14.006   7.8248   10.568   6.2519   69.275   19.870   60.661   17.867 8.614685 26.72155 
1 1 1  -35   11    5 o   62.530   14.466   10.823   5.6827   8.7605   8.0628   12.858   8.0105   58.278   20.562   66.782   20.355 -8.503902 28.93297 
1 1 1  -35   11    6 o   97.533   13.160   28.047   6.6104   23.874   10.301   30.968   8.6193   89.600   21.541  105.467   15.124 -15.86678 26.32025 
1 1 1  -35   11    7 o  134.460   9.5797   50.752   6.8344   45.383   10.345   54.910   9.1042  127.698   14.992  141.221   11.930 -13.52336 19.15932 
1 1 1  -35   11    8 o   82.626   14.288   20.372   6.2973   18.498   9.6713   21.752   8.2972   78.950   21.901   86.302   18.356 -7.352409 28.57661 
1 1 1  -35   11    9 o   37.278   12.088  -5.2016   5.5746 -13.3243   9.6968  -1.1919   6.8129   35.791   17.197   38.765   16.993 -2.974403 24.17672 
1 1 1  -35   11   10 o   92.580   11.817   26.861   5.4416   14.959   8.3622   35.603   7.1664   71.420   20.558  113.740   11.660 -42.32040 23.63406 
1 1 1  -35   11   11 o  180.042   6.7945   90.072   6.4847   79.920   9.8281   97.900   8.6298  170.656   10.658  189.427   8.4308 -18.77089 13.58905 
1 1 1  -35   11   12 o  121.804   8.7180   39.280   5.6118   49.563   9.1773   33.138   7.0923  133.948   12.679  109.659   11.969 24.28936 17.43606 
1 1 1  -35   11   13 o  113.116   9.3856   34.822   5.5945   38.147   9.1327   32.824   7.0779  117.114   14.431  109.117   12.004 7.997101 18.77115 
1 1 1  -35   11   14 o  136.409   9.5362   51.427   7.0006   45.321   9.6391   58.243   10.184  127.741   13.964  145.077   12.991 -17.33671 19.07244 
1 1 1  -35   11   15 o  198.800   7.4603  108.384   8.0093  103.884   11.116  113.243   11.551  194.506   10.576  203.094   10.525 -8.588272 14.92059 
1 1 1  -35   11   16 o   39.613   12.837  -4.2431   5.6476  -5.0788   10.490  -3.9020   6.7019   44.227   20.102   35.000   15.970 9.227448 25.67369 
1 1 1  -35   11   17 o  140.998   9.1671   54.613   6.3466   56.284   11.805   53.934   7.5268  141.768   15.410  140.229   9.9331 1.539795 18.33413 
1 1 1  -35   11   18 o   60.678   16.582   8.1159   6.4281   6.2387   15.546   8.5030   7.0599   65.128   26.987   56.228   19.277 8.900192 33.16446 
1 1 1  -35   11   19 o  140.594   13.059   53.224   9.3077   66.126   16.954   47.658   11.136  151.081   20.767  130.106   15.839 20.97510 26.11837 
1 1 1  -35   11   20 o   90.508   18.216   24.618   9.0408   29.257   15.187   22.072   11.252   96.152   27.712   84.865   23.652 11.28654 36.43300 
1 1 1  -35   11   21 o  144.630   8.0900   57.113   6.2304   62.208   9.8332   53.695   8.0533  149.732   12.153  139.528   10.681 10.20361 16.17996 
1 1 1  -35   11   22 o   53.729   13.039   3.5067   5.4859   15.927   8.4267  -5.6294   7.2271   72.829   20.529   34.628   16.081 38.20085 26.07741 
1 1 1  -35   11   23 o   59.401   13.878   9.9746   5.4265   5.1029   8.4585   13.382   7.0741   51.703   20.444   67.099   18.773 -15.39588 27.75558 
1 1 1  -35   11   24 o  176.227   6.8896   86.167   6.4368   81.676   9.9724   89.375   8.4275  171.910   10.735  180.543   8.6383 -8.633347 13.77919 
1 1 1  -35   11   25 o   63.238   14.243   11.542   5.4034   13.000   8.5231   10.562   6.9869   66.240   21.121   60.237   19.114 6.003117 28.48602 
1 1 1  -35   11   26 o  142.252   8.2668   56.157   6.2744   57.353   9.7092   55.299   8.2218  143.234   12.544  141.270   10.770 1.964447 16.53366 
1 1 1  -35   11   27 o  198.117   6.5754  109.159   6.9605   98.478   10.304  118.123   9.4397  188.777   10.101  207.457   8.4206 -18.68018 13.15073 
1 1 1  -35   11   28 o  158.648   7.7825   71.123   6.5256   62.262   9.9162   77.892   8.6667  149.246   12.296  168.050   9.5439 -18.80438 15.56504 
1 1 1  -35   11   29 o  179.070   7.2034   88.754   6.9063   89.193   10.505   88.421   9.1654  179.165   10.851  178.975   9.4770 0.1902771 14.40675 
1 1 1  -35   11   30 o  129.356   8.9784   47.139   6.1394   46.688   9.7023   47.440   7.9287  128.290   13.996  130.421   11.250 -2.131332 17.95690 
1 1 1  -35   11   31 o   32.320   10.923  -9.7876   5.4799 -15.5317   8.4407  -5.6024   7.2048   30.429   14.936   34.211   15.943 -3.782202 21.84654 
1 1 1  -35   11   32 o  135.818   9.0648   51.755   6.4568   53.728   10.544   50.571   8.1671  137.184   14.224  134.453   11.241 2.730988 18.12954 
1 1 1  -35   11   33 o  149.138   11.282   58.206   7.8567   78.356   16.666   52.449   8.9088  161.854   19.055  136.422   12.085 25.43204 22.56448 
1 1 1  -35   11   34 o  105.699   11.945   33.167   6.5918   32.485   9.9907   33.694   8.7722  103.311   18.579  108.087   15.019 -4.775970 23.89077 
1 1 1  -35   11   35 o  158.309   10.330   69.763   8.4237   64.790   10.305   79.775   14.623  151.295   12.605  165.322   16.369 -14.02686 20.66007 
1 1 1  -35   11   36 o   58.936   13.603   5.5374   6.1359   21.472   9.5528  -5.6536   8.0056   81.753   21.381   36.120   16.824 45.63290 27.20622 
1 1 1  -35   11   37 o   99.430   13.074   29.755   6.7974   39.564   10.270   22.109   9.0675  115.671   16.431   83.189   20.341 32.48142 26.14847 
1 1 1  -35   11   38 o  123.687   11.665   47.076   7.2538   34.824   10.679   57.570   9.8837  105.548   19.441  141.825   12.897 -36.27731 23.32950 
1 1 1  -35   11   39 o   89.688   13.712   24.890   6.6565   35.783   10.102   16.531   8.8495  108.695   17.199   70.680   21.362 38.01543 27.42482 
1 1 1  -35   11   40 o  163.744   8.6960   78.876   7.5002   62.389   10.914   93.632   10.325  145.795   13.853  181.694   10.516 -35.89938 17.39207 
1 1 1  -35   11   41 o   29.138   10.288 -21.8373   6.6207 -25.4300   9.9759 -19.0091   8.8510   29.127   14.611   29.150   14.486 -0.2274704E-01 20.57504 
1 1 1  -35   11   42 f  128.631   15.443   51.988   10.096   78.784   15.637   32.838   13.220  160.474   18.033   96.788   25.074 63.68645 30.88546 
1 1 1  -35   11   43 o   47.976   15.522  -5.7574   9.5104   6.8108   13.633 -17.6712   13.274   56.975   24.512   38.977   19.048 17.99809 31.04311 
1 1 1  -35   11   44 o   59.890   17.742   10.914   10.106   21.998   14.845   1.3387   13.798   70.462   27.310   49.318   22.656 21.14388 35.48446 
1 1 1  -35   11   45 o   77.338   14.189   24.345   8.3873  -6.7568   15.969   36.193   9.8561   47.700   22.685  106.976   17.050 -59.27589 28.37853 
1 1 1  -35   11   46 o   53.993   17.024   5.2595   9.9577   10.595   15.363   1.3944   13.076   58.921   25.681   49.064   22.356 9.857136 34.04863 
1 1 1  -35   11   47 o   49.696   15.607   3.2992   8.3122  -2.7444   10.699   12.502   13.203   41.368   19.328   58.025   24.511 -16.65634 31.21466 
1 1 1  -35   12    1 o  119.937   8.8812   39.897   5.5852   39.061   9.0047   40.420   7.1203  118.579   14.053  121.295   10.863 -2.716072 17.76241 
1 1 1  -35   12    2 o  119.187   9.5461   39.351   6.1382   39.787   8.9577   38.964   8.4281  119.732   13.845  118.641   13.146 1.090576 19.09227 
1 1 1  -35   12    3 o   78.340   13.990   17.679   5.8171   20.707   9.3487   15.766   7.4308   83.456   20.804   73.223   18.711 10.23219 27.98003 
1 1 1  -35   12    4 o  121.238   10.420   38.948   6.6519   53.514   10.792   30.023   8.4475  138.716   14.397  103.760   15.066 34.95586 20.83912 
1 1 1  -35   12    5 f  145.112   9.3263   55.686   7.1475   73.739   11.608   44.662   9.0711  163.215   13.162  127.010   13.217 36.20486 18.65257 
1 1 1  -35   12    6 o  116.772   10.825   37.145   6.7434   46.216   10.462   30.698   8.8197  128.739   15.039  104.805   15.573 23.93402 21.64988 
1 1 1  -35   12    7 o   45.034   13.097   1.3559   5.5011  -7.0833   9.2713   5.9414   6.8341   39.362   18.256   50.706   18.784 -11.34383 26.19351 
1 1 1  -35   12    8 o  212.322   9.7001  123.441   11.129  123.441   11.129   0.0000   0.0000  212.322   9.7001  ?   ?       ?      ? 
1 1 1  -35   12    9 o  123.551   9.1662   43.984   5.8025   35.586   9.2681   49.398   7.4414  112.902   15.191  134.200   10.262 -21.29852 18.33249 
1 1 1  -35   12   10 o  135.061   10.434   50.066   7.6152   0.0000   0.0000   50.066   7.6152  ?   ?   135.061   10.434      ?      ? 
1 1 1  -35   12   11 o  108.378   9.6923   32.496   5.5736   33.226   8.7891   32.005   7.2083  109.127   14.905  107.629   12.394 1.497879 19.38469 
1 1 1  -35   12   12 o  167.083   11.287   76.860   10.191   76.860   10.191   0.0000   0.0000  167.083   11.287  ?   ?       ?      ? 
1 1 1  -35   12   13 o   40.962   12.774  -2.9185   5.3478   2.3723   9.0107  -5.7955   6.6445   49.140   20.469   32.785   15.289 16.35509 25.54843 
1 1 1  -35   12   14 o   83.497   14.480   20.941   6.5309   17.357   9.4042   24.279   9.0766   76.256   21.755   90.737   19.115 -14.48034 28.95957 
1 1 1  -35   12   15 o   39.420   12.778  -6.5256   5.7587  -0.1215   10.090  -9.6197   7.0132   48.293   20.931   30.547   14.664 17.74569 25.55640 
1 1 1  -35   12   16 o   95.166   13.108   24.604   5.9171   30.405   11.652   22.588   6.8686  100.389   22.080   89.944   14.132 10.44553 26.21535 
1 1 1  -35   12   17 o   72.419   14.152   15.286   5.5143   16.805   9.4424   14.500   6.7930   74.817   21.935   70.022   17.888 4.795448 28.30406 
1 1 1  -35   12   18 o  118.596   16.025   43.017   9.3260   39.550   16.364   44.685   11.349  111.723   27.331  125.469   16.740 -13.74548 32.04992 
1 1 1  -35   12   19 o  139.762   14.937   61.229   9.7562   48.514   17.144   67.320   11.865  124.522   26.303  155.003   14.165 -30.48106 29.87491 
1 1 1  -35   12   20 o   46.518   13.904  -5.2872   6.8955 -17.2260   9.3364   9.0405   10.228   32.213   15.791   60.823   22.890 -28.60929 27.80873 
1 1 1  -35   12   21 o   63.519   12.694   12.114   5.3965   0.4402   8.6778   19.476   6.8911   45.427   19.550   81.611   16.198 -36.18375 25.38843 
1 1 1  -35   12   22 o   68.507   13.766   14.370   5.5074   9.6210   8.5098   17.792   7.2244   59.640   21.115   77.374   17.667 -17.73423 27.53133 
1 1 1  -35   12   23 o  179.766   10.632   89.398   10.328   89.398   10.328   0.0000   0.0000  179.766   10.632  ?   ?       ?      ? 
1 1 1  -35   12   24 o  159.255   7.5605   69.269   6.3955   75.462   10.181   65.232   8.2198  164.772   11.434  153.737   9.8946 11.03503 15.12098 
1 1 1  -35   12   25 o   66.134   14.439   13.114   5.6402   12.487   8.8111   13.549   7.3414   65.162   21.528   67.106   19.246 -1.943932 28.87715 
1 1 1  -35   12   26 o  209.813   6.4990  120.467   7.2805  126.007   11.299  116.534   9.5205  213.648   9.7868  205.979   8.5537 7.669739 12.99791 
1 1 1  -35   12   27 o  204.246   6.6790  114.902   7.3206  116.685   11.053  113.509   9.7713  205.420   9.9572  203.072   8.9046 2.348145 13.35804 
1 1 1  -35   12   28 o  132.236   8.8807   49.100   6.2961   49.148   9.5075   49.064   8.4025  131.974   13.332  132.497   11.736 -0.5226288 17.76139 
1 1 1  -35   12   29 o  114.249   10.156   36.684   6.1536   39.717   9.8258   34.727   7.8931  117.618   15.460  110.879   13.174 6.738838 20.31148 
1 1 1  -35   12   30 o   85.296   13.187   22.597   6.0082   17.110   9.0668   26.892   8.0224   73.890   21.446   96.701   15.353 -22.81104 26.37496 
1 1 1  -35   12   31 o   55.601   13.830   4.8929   5.9494   17.142   9.2210  -3.8430   7.7871   73.686   21.697   37.517   17.156 36.16904 27.65996 
1 1 1  -35   12   32 o   69.943   13.596   15.816   5.9169   5.8248   9.2293   22.789   7.7096   52.912   21.212   86.973   17.014 -34.06100 27.19259 
1 1 1  -35   12   33 o  122.524   10.617   41.979   6.9232   52.416   10.945   35.016   8.9388  134.836   15.021  110.212   15.009 24.62396 21.23484 
1 1 1  -35   12   34 o   63.884   16.090   12.595   7.2558  -0.0108   15.370   16.209   8.2306   55.926   24.966   71.841   20.302 -15.91455 32.17933 
1 1 1  -35   12   35 o   95.887   16.558   30.400   8.3336   30.786   10.524   29.752   13.646   98.803   20.388   92.971   26.095 5.832703 33.11544 
1 1 1  -35   12   36 o   64.157   16.532   10.507   7.6387   4.1203   9.7965   20.412   12.200   50.789   21.265   77.525   25.319 -26.73658 33.06456 
1 1 1  -35   12   37 o   66.099   14.509   12.904   6.8072   0.7817   10.032   23.248   9.2672   47.066   20.626   85.132   20.410 -38.06530 29.01737 
1 1 1  -35   12   38 o  126.019   11.577   50.632   7.0848   34.189   10.723   63.373   9.4386  103.127   19.963  148.910   11.730 -45.78283 23.15410 
1 1 1  -35   12   39 o   88.970   14.890   26.559   7.0040   25.063   10.779   27.651   9.2142   85.134   22.922   92.805   19.013 -7.671432 29.78084 
1 1 1  -35   12   40 o   44.176   13.345 -11.3856   6.8763   12.265   10.514 -29.0602   9.0895   62.551   23.273   25.802   13.065 36.74853 26.68986 
1 1 1  -35   12   41 o  279.529   12.310  139.508   13.567  519.369   32.565   59.730   14.924  421.223   14.307  137.836   20.037 283.3865 24.62052 
1 1 1  -35   12   42 o   80.012   18.712   24.757   9.7280   18.856   15.103   28.941   12.717   71.359   27.578   88.666   25.299 -17.30766 37.42432 
1 1 1  -35   12   43 o   51.634   16.315   1.8076   9.7397   14.151   14.255  -9.0000   13.339   61.347   25.665   41.920   20.150 19.42686 32.63015 
1 1 1  -35   12   44 o   54.484   14.441   1.8587   7.0365   21.978   11.043 -11.8923   9.1298   76.018   24.021   32.950   16.036 43.06730 28.88149 
1 1 1  -35   12   45 o   68.307   18.323   18.586   10.557   4.0743   16.821   28.018   13.561   54.776   25.109   81.838   26.693 -27.06240 36.64608 
1 1 1  -35   12   46 o   65.865   18.848   17.624   10.808   30.856   16.365   7.3874   14.394   78.111   29.041   53.620   24.033 24.49025 37.69529 
1 1 1  -35   13    1 o   78.204   14.766   17.884   6.2050   19.957   10.171   16.655   7.8313   81.428   22.409   74.980   19.235 6.447655 29.53205 
1 1 1  -35   13    2 o   60.988   15.254   9.4401   6.1264   11.827   10.016   8.0135   7.7440   65.841   22.939   56.135   20.114 9.705818 30.50814 
1 1 1  -35   13    3 o   39.077   12.632  -6.0093   5.8756  -0.9230   9.3231  -9.3604   7.5675   45.652   19.949   32.503   15.502 13.14934 25.26361 
1 1 1  -35   13    4 o  114.720   10.575   37.941   6.0526   33.491   10.478   40.170   7.4149  108.703   17.837  120.737   11.365 -12.03430 21.15034 
1 1 1  -35   13    5 o  142.091   8.1272   53.941   6.1350   65.783   9.8326   46.392   7.8506  154.393   11.786  129.789   11.194 24.60393 16.25431 
1 1 1  -35   13    6 o  217.316   6.5570  130.901   7.4772  122.041   11.872  136.727   9.6265  210.769   10.424  223.863   7.9579 -13.09390 13.11410 
1 1 1  -35   13    7 o  190.549   6.7951   99.614   6.8469   98.988   10.838  100.030   8.8328  189.767   10.569  191.330   8.5433 -1.563644 13.59019 
1 1 1  -35   13    8 o  109.479   10.500   34.385   5.9199   30.184   9.6115   36.952   7.5145  103.317   17.216  115.641   12.025 -12.32311 20.99994 
1 1 1  -35   13    9 o   74.094   12.124   17.653   5.6403   1.4468   9.0533   27.934   7.2106   47.912   20.271  100.277   13.307 -52.36514 24.24854 
1 1 1  -35   13   10 o   77.515   13.742   17.081   5.6443   22.039   9.1922   14.079   7.1513   85.962   20.141   69.067   18.701 16.89416 27.48483 
1 1 1  -35   13   11 o   66.121   13.460   13.430   5.4479   5.6793   8.9538   17.986   6.8649   53.797   21.109   78.444   16.707 -24.64702 26.92072 
1 1 1  -35   13   12 o  173.923   7.2797   83.160   6.7391   83.421   10.476   82.976   8.8023  173.891   11.149  173.956   9.3641 -0.6568909E-01 14.55941 
1 1 1  -35   13   13 o   59.832   14.893   8.3695   6.4927   1.3106   9.2262   15.295   9.1386   47.966   20.387   71.698   21.716 -23.73137 29.78650 
1 1 1  -35   13   14 o   35.717   11.861  -7.8489   5.4276  -3.7557   9.2817  -9.9758   6.6907   42.256   19.087   29.177   14.086 13.07941 23.72219 
1 1 1  -35   13   15 o  164.834   8.3385   73.727   6.8477   79.324   12.552   71.355   8.1707  168.446   13.790  161.222   9.3789 7.224289 16.67704 
1 1 1  -35   13   16 o  103.318   11.469   30.229   5.9743   31.983   10.106   29.287   7.4074  104.208   18.630  102.428   13.383 1.779770 22.93860 
1 1 1  -35   13   17 o  154.038   11.548   56.634   7.5845   86.577   18.773   50.793   8.2913  172.581   20.130  135.495   11.324 37.08562 23.09682 
1 1 1  -35   13   18 o   67.326   18.653   10.077   9.4494   12.984   16.244   8.5901   11.617   72.759   28.466   61.893   24.112 10.86613 37.30546 
1 1 1  -35   13   19 o  103.591   18.070   33.810   9.7680   33.446   16.426   34.009   12.149  101.476   28.683  105.705   21.987 -4.229126 36.14034 
1 1 1  -35   13   20 o   71.279   13.336   16.189   5.7280   6.1574   9.1297   22.702   7.3559   54.369   21.321   88.189   16.026 -33.81989 26.67289 
1 1 1  -35   13   21 o   72.641   14.030   14.912   5.6233   21.669   9.1911   10.869   7.1091   84.323   20.394   60.959   19.274 23.36392 28.06097 
1 1 1  -35   13   22 o   65.917   14.390   12.949   5.5779   12.955   8.7864   12.945   7.2192   66.112   21.482   65.722   19.154 0.3896942 28.78095 
1 1 1  -35   13   23 o   72.528   14.208   15.824   5.6587   16.799   9.0908   15.207   7.2301   74.032   21.471   71.025   18.613 3.006836 28.41564 
1 1 1  -35   13   24 o   89.253   12.507   23.106   5.6770   26.455   9.3151   21.128   7.1604   93.781   19.032   84.725   16.231 9.056137 25.01308 
1 1 1  -35   13   25 o   62.180   14.134   9.9039   5.4000   17.333   9.0370   5.7782   6.7345   74.952   21.306   49.408   18.578 25.54416 28.26804 
1 1 1  -35   13   26 o   80.141   13.304   19.137   5.6933   24.818   8.5898   14.685   7.6032   90.900   18.123   69.381   19.480 21.51917 26.60719 
1 1 1  -35   13   27 o   38.725   12.481  -3.6795   5.7066  -4.0271   8.7689  -3.4241   7.5159   40.075   18.278   37.376   16.999 2.698902 24.96122 
1 1 1  -35   13   28 o   64.352   13.818   12.435   5.9961   2.4014   9.2851   19.612   7.8531   48.522   20.529   80.181   18.501 -31.65836 27.63589 
1 1 1  -35   13   29 o   46.766   13.769   2.7744   5.8205  -0.8203   9.3287   5.0660   7.4482   44.611   19.707   48.921   19.235 -4.310593 27.53834 
1 1 1  -35   13   30 o  109.564   11.465   35.972   6.4120   31.492   9.8979   39.212   8.4170  101.668   18.706  117.461   13.261 -15.79276 22.92937 
1 1 1  -35   13   31 o  118.365   10.775   41.603   6.6580   33.617   10.072   47.801   8.8729  106.785   17.455  129.944   12.636 -23.15924 21.54918 
1 1 1  -35   13   32 o  195.542   7.3136  105.949   7.6455  111.034   11.808  102.279   10.033  199.178   10.971  191.905   9.6747 7.273560 14.62719 
1 1 1  -35   13   33 o   47.417   14.086   0.2502   6.3975   8.6305   9.8225  -5.9240   8.4310   57.780   22.265   37.054   17.261 20.72646 28.17208 
1 1 1  -35   13   34 o   58.098   16.670   8.0587   7.1964   3.6982   16.601   9.0678   7.9858   59.852   26.373   56.343   20.395 3.508820 33.33904 
1 1 1  -35   13   35 o  110.175   16.638   38.170   8.1397   42.658   17.837   36.990   9.1477  107.731   29.688  112.620   15.032 -4.888893 33.27633 
1 1 1  -35   13   36 o   46.824   14.759  -1.3734   7.8048   3.6823   10.385  -7.9347   11.831   50.902   21.632   42.746   20.084 8.155987 29.51828 
1 1 1  -35   13   37 f   72.310   17.822   17.352   8.3927   13.202   10.626   24.234   13.684   63.802   23.460   80.817   26.835 -17.01514 35.64406 
1 1 1  -35   13   38 o   34.501   11.811 -12.6965   6.8415 -17.9462   10.317  -8.5759   9.1403   33.058   16.283   35.944   17.114 -2.885300 23.62258 
1 1 1  -35   13   39 o   49.066   14.879   3.0623   7.0555   3.1829   10.256   2.9540   9.7212   49.638   21.305   48.493   20.776 1.144188 29.75860 
1 1 1  -35   13   40 o   63.046   17.804   10.115   9.5971   18.644   13.769   2.0559   13.384   72.964   26.724   53.129   23.531 19.83562 35.60747 
1 1 1  -35   13   41 o   63.546   17.980   12.482   9.6890   19.669   13.826   5.5473   13.582   71.975   26.706   55.117   24.081 16.85806 35.95984 
1 1 1  -35   13   42 o   55.747   17.117   8.9609   9.4931   11.131   14.466   7.3198   12.581   58.158   25.134   53.335   23.243 4.822510 34.23429 
1 1 1  -35   13   43 o   79.794   15.018   23.722   7.3326   11.840   11.007   33.203   9.8323   59.428   23.377  100.159   18.859 -40.73050 30.03568 
1 1 1  -35   13   44 o   73.434   19.861   23.325   11.047   30.788   16.656   17.464   14.762   81.057   29.438   65.810   26.670 15.24716 39.72234 
1 1 1  -35   13   45 o   42.304   14.536 -10.6575   10.149  -6.4347   16.051 -13.4707   13.101   45.970   22.098   38.637   18.891 7.333462 29.07215 
1 1 1  -35   14    1 o  116.243   9.4959   37.248   5.7257   39.312   9.6432   36.125   7.1159  118.217   15.096  114.269   11.524 3.947861 18.99178 
1 1 1  -35   14    2 o   37.395   11.924  -3.1567   5.1346  -8.5124   8.5889  -0.1782   6.4052   36.049   16.992   38.741   16.734 -2.691551 23.84853 
1 1 1  -35   14    3 o   66.705   13.951   13.548   5.4018   9.6131   9.2645   15.575   6.6490   60.746   21.971   72.665   17.200 -11.91893 27.90278 
1 1 1  -35   14    4 o  190.858   6.8226   99.723   6.8026  101.353   11.181   98.766   8.5716  191.701   10.794  190.016   8.3480 1.684189 13.64529 
1 1 1  -35   14    5 o  116.798   9.7681   39.073   5.8877   34.412   9.5268   41.953   7.4892  110.370   15.974  123.227   11.247 -12.85615 19.53613 
1 1 1  -35   14    6 o   62.183   14.026   9.5917   5.3792   17.143   8.9069   5.2560   6.7491   75.482   21.046   48.884   18.548 26.59836 28.05289 
1 1 1  -35   14    7 o  124.896   9.4229   43.448   6.0857   43.639   10.197   43.342   7.5847  124.543   15.152  125.248   11.207 -0.7055588 18.84573 
1 1 1  -35   14    8 f   66.154   13.955   13.389   5.6340   6.9545   9.3269   17.086   7.0695   56.276   21.693   76.031   17.561 -19.75536 27.91036 
1 1 1  -35   14    9 o  130.377   9.4095   49.399   6.2258   40.619   10.193   54.623   7.8628  119.934   15.729  140.821   10.333 -20.88720 18.81910 
1 1 1  -35   14   10 o  188.204   7.0431   93.473   6.9529  114.223   11.665   82.039   8.6592  203.515   10.607  172.892   9.2686 30.62317 14.08613 
1 1 1  -35   14   11 o  117.576   9.8735   39.286   6.0252   36.371   9.7797   41.068   7.6493  113.379   15.963  121.774   11.625 -8.395393 19.74698 
1 1 1  -35   14   12 o   53.265   13.471   1.9686   6.4255 -13.7667   9.4421   15.541   8.7691   34.548   16.692   71.982   21.148 -37.43473 26.94214 
1 1 1  -35   14   13 o   58.524   15.008   8.6806   6.3136   4.3700   9.6358   11.923   8.3575   52.799   21.492   64.249   20.954 -11.44915 30.01668 
1 1 1  -35   14   14 o  123.387   10.535   40.852   6.4109   47.973   12.171   38.118   7.5421  129.570   17.383  117.204   11.909 12.36642 21.07091 
1 1 1  -35   14   15 o   57.535   13.459   9.0636   5.5635  -1.1674   9.4396   14.509   6.8868   45.269   19.919   69.800   18.105 -24.53102 26.91787 
1 1 1  -35   14   16 o   90.096   16.812   12.691   6.6182   52.095   18.495   6.9040   7.0875  127.660   27.614   52.532   19.183 75.12778 33.62323 
1 1 1  -35   14   17 o   58.837   17.884  -0.3892   9.7015   11.883   17.337  -5.9842   11.706   72.035   29.004   45.639   20.930 26.39566 35.76750 
1 1 1  -35   14   18 o   52.877   16.759  -2.4342   9.4235  -0.8018   16.037  -3.2950   11.646   57.968   25.712   47.787   21.502 10.18106 33.51778 
1 1 1  -35   14   19 o   78.080   14.189   18.611   5.9768   18.109   9.2188   18.976   7.8501   76.772   21.413   79.388   18.621 -2.616699 28.37735 
1 1 1  -35   14   20 o   43.570   13.246   0.6048   5.5961  -2.9460   9.2918   2.6257   7.0101   42.748   19.223   44.392   18.230 -1.644012 26.49278 
1 1 1  -35   14   21 o   76.599   13.580   18.792   5.8680   10.867   9.8421   23.162   7.3091   62.859   22.659   90.338   14.973 -27.47925 27.15913 
1 1 1  -35   14   22 o   55.694   14.588   7.7999   5.6992   8.2265   9.3017   7.5435   7.2112   57.681   21.802   53.706   19.390 3.974918 29.17678 
1 1 1  -35   14   23 o   45.962   13.626   1.2333   5.6424   5.6977   9.0793  -1.5757   7.2019   53.160   21.130   38.764   17.211 14.39548 27.25208 
1 1 1  -35   14   24 o   54.386   13.637   7.5229   5.5741  -0.6612   9.0869   12.460   7.0580   44.520   19.568   64.252   19.000 -19.73181 27.27466 
1 1 1  -35   14   25 o   51.070   14.200   5.5847   5.6421   4.5795   9.2537   6.1795   7.1182   51.547   21.031   50.593   19.084 0.9540825 28.39906 
1 1 1  -35   14   26 o   42.799   12.968   0.5464   5.5046  -5.2339   9.1350   3.8419   6.8975   39.764   18.329   45.834   18.351 -6.069389 25.93663 
1 1 1  -35   14   27 o   56.558   13.474   4.1546   5.8269   19.267   9.3455  -5.4572   7.4530   78.113   21.474   35.002   16.279 43.11132 26.94736 
1 1 1  -35   14   28 o   60.771   14.956   10.052   5.9753   14.866   9.5786   6.9852   7.6452   68.971   22.430   52.571   19.789 16.39980 29.91176 
1 1 1  -35   14   29 o   56.752   14.748   8.8511   5.9457   6.2896   9.7379   10.374   7.5075   54.346   21.788   59.157   19.881 -4.810883 29.49540 
1 1 1  -35   14   30 o   55.928   14.243   8.2050   5.9765   1.0296   9.4189   13.041   7.7326   46.804   20.254   65.053   20.030 -18.24923 28.48551 
1 1 1  -35   14   31 o   67.230   15.301   14.246   6.4286   10.932   9.8452   16.708   8.4878   61.703   22.598   72.756   20.637 -11.05298 30.60292 
1 1 1  -35   14   32 o   50.091   14.670   3.6914   6.3576   7.2280   10.264   1.4899   8.0981   55.915   22.386   44.266   18.964 11.64922 29.33901 
1 1 1  -35   14   33 o  148.683   9.1921   64.464   7.1202   57.865   11.309   68.798   9.1645  140.990   14.844  156.375   10.846 -15.38432 18.38429 
1 1 1  -35   14   34 o   63.907   15.269   12.667   6.7705   5.2181   10.434   18.085   8.8983   53.119   22.067   74.696   21.110 -21.57742 30.53852 
1 1 1  -35   14   35 o  113.649   15.999   42.377   7.8485   42.703   17.142   42.290   8.8281  106.588   28.994  120.710   13.534 -14.12285 31.99711 
1 1 1  -35   14   36 o   67.528   17.812   15.272   8.2067   14.234   16.405   15.619   9.4780   67.137   27.763   67.919   22.323 -0.7819366 35.62403 
1 1 1  -35   14   37 f   88.156   17.325   26.989   8.4432   24.812   10.967   30.158   13.231   84.823   23.239   91.490   25.701 -6.666702 34.64927 
1 1 1  -35   14   38 o   60.872   17.183   10.363   8.5511   12.477   10.796   6.8041   14.007   63.181   23.568   58.562   25.011 4.618370 34.36572 
1 1 1  -35   14   39 o   47.833   15.784  -6.2028   10.045  -2.7117   14.554  -9.3784   13.881   50.630   23.263   45.036   21.340 5.594185 31.56814 
1 1 1  -35   14   40 o   55.969   17.094   7.6291   9.4902   4.9392   14.469   9.6599   12.572   54.382   24.254   57.556   24.093 -3.174026 34.18715 
1 1 1  -35   14   41 o   57.641   16.447   11.591   7.8875   8.7793   13.523   13.040   9.7102   55.502   24.144   59.780   22.341 -4.278023 32.89450 
1 1 1  -35   14   42 o   51.229   14.609   2.1758   7.0526   16.515   10.755  -8.6410   9.3414   66.859   23.731   35.598   17.045 31.26115 29.21765 
1 1 1  -35   14   43 o   44.159   14.739  -3.2593   8.5271  -9.7185   16.748  -0.9989   9.9074   46.091   22.260   42.226   19.324 3.865215 29.47803 
1 1 1  -35   14   44 o   68.132   19.169   15.643   11.349   42.162   18.511  -0.3277   14.366   88.547   31.164   47.717   22.328 40.83068 38.33718 
1 1 1  -35   15    1 o   51.942   13.124   6.0435   5.3154  -3.1052   8.6792   11.535   6.7240   41.274   18.567   62.610   18.553 -21.33608 26.24784 
1 1 1  -35   15    2 o  112.169   11.869   34.915   7.1941   0.0000   0.0000   34.915   7.1941  ?   ?   112.169   11.869      ?      ? 
1 1 1  -35   15    3 o   62.225   13.612   11.630   5.4470   4.1109   9.0901   15.843   6.8038   51.350   20.885   73.101   17.463 -21.75077 27.22443 
1 1 1  -35   15    4 f   75.508   13.683   16.801   5.4334   18.140   9.1409   16.069   6.7566   77.338   21.228   73.678   17.271 3.659782 27.36679 
1 1 1  -35   15    5 o   72.585   13.654   13.894   5.7453   25.621   9.2999   6.6570   7.3063   92.709   19.196   52.461   19.424 40.24802 27.30892 
1 1 1  -35   15    6 o  178.063   7.4978   87.996   7.0612   85.022   11.080   90.029   9.1630  175.103   11.710  181.023   9.3673 -5.920731 14.99559 
1 1 1  -35   15    7 f  116.330   10.198   37.990   6.1502   38.163   10.241   37.892   7.6915  115.897   16.353  116.764   12.190 -0.8669739 20.39686 
1 1 1  -35   15    8 o   77.583   13.946   17.828   5.7192   19.367   9.3697   16.914   7.2203   79.777   21.325   75.389   17.977 4.387672 27.89129 
1 1 1  -35   15    9 o  109.752   11.374   36.298   6.0941   28.934   9.9957   40.655   7.6882   98.466   19.476  121.037   11.755 -22.57080 22.74855 
1 1 1  -35   15   10 o   50.183   12.809   2.8528   5.8586 -14.7670   9.7427   12.833   7.3324   34.644   16.791   65.722   19.347 -31.07748 25.61726 
1 1 1  -35   15   11 o  177.780   8.5246   87.916   8.1760   81.584   11.469   94.459   11.658  171.122   12.403  184.439   11.698 -13.31741 17.04916 
1 1 1  -35   15   12 o   53.207   15.058   4.5233   6.6820   8.7903   9.8336   0.8631   9.1076   59.609   22.442   46.805   20.083 12.80449 30.11610 
1 1 1  -35   15   13 o   69.839   15.394   14.638   6.1253   13.455   11.465   15.111   7.2461   68.762   24.491   70.916   18.658 -2.153908 30.78847 
1 1 1  -35   15   14 o  127.049   10.812   44.617   6.6465   48.626   12.793   43.134   7.7786  129.540   18.276  124.559   11.557 4.980850 21.62379 
1 1 1  -35   15   15 o   44.939   15.044  -7.6974   6.6331  -1.6736   16.735  -8.8201   7.2248   58.255   26.025   31.622   15.100 26.63346 30.08855 
1 1 1  -35   15   16 o   84.398   19.754   19.805   10.189   33.806   17.813   12.995   12.423  100.229   30.310   68.567   25.340 31.66247 39.50715 
1 1 1  -35   15   17 o   66.066   18.363   10.216   9.8684   1.7218   16.544   14.908   12.295   60.730   26.554   71.402   25.370 -10.67206 36.72541 
1 1 1  -35   15   18 o   55.355   14.280   4.7694   5.9916   15.338   9.6331  -1.8983   7.6517   71.022   22.434   39.687   17.674 31.33468 28.55950 
1 1 1  -35   15   19 o   62.951   15.098   11.481   6.0847   10.873   9.4825   11.906   7.9334   62.462   22.270   63.441   20.393 -0.9786415 30.19670 
1 1 1  -35   15   20 o   72.395   14.989   14.953   6.0909   21.338   10.251   11.469   7.5723   82.548   22.408   62.242   19.915 20.30605 29.97826 
1 1 1  -35   15   21 o   33.971   11.418  -8.8008   5.6984 -14.1349   9.2603  -5.5500   7.2292   33.524   16.276   34.419   16.016 -0.8950691 22.83511 
1 1 1  -35   15   22 o   60.646   14.541   10.702   5.9821   5.0069   9.5256   14.412   7.6870   52.668   21.396   68.624   19.698 -15.95589 29.08238 
1 1 1  -35   15   23 f   39.534   12.743  -3.6379   5.8429  -3.3061   9.4470  -3.8434   7.4356   42.404   19.196   36.664   16.765 5.739880 25.48621 
1 1 1  -35   15   24 o  140.714   8.8956   57.263   6.5283   48.825   10.170   63.176   8.5138  130.760   14.393  150.667   10.457 -19.90741 17.79114 
1 1 1  -35   15   25 o   45.889   13.259   1.1703   5.9317  -9.6070   9.4485   8.1811   7.6206   36.861   17.507   54.917   19.917 -18.05681 26.51717 
1 1 1  -35   15   26 o   96.074   12.593   27.267   6.1928   29.200   10.193   26.137   7.7967   96.975   20.112   95.174   15.160 1.800163 25.18582 
1 1 1  -35   15   27 o   50.261   13.800   0.4809   5.9458   14.020   9.7769  -7.4649   7.4900   67.316   22.687   33.206   15.717 34.10981 27.59959 
1 1 1  -35   15   28 o   71.360   14.951   16.038   6.0832   15.465   9.9526   16.379   7.6859   70.093   22.867   72.627   19.267 -2.534317 29.90204 
1 1 1  -35   15   29 f   51.304   14.520   4.9772   6.0664   8.1926   9.4230   2.7013   7.9278   56.758   21.825   45.851   19.158 10.90648 29.04028 
1 1 1  -35   15   30 f   62.960   14.689   10.122   6.1691   20.387   9.8426   3.4799   7.9171   79.164   22.142   46.756   19.307 32.40794 29.37727 
1 1 1  -35   15   31 o   84.198   14.226   21.644   6.4465   30.995   10.069   15.149   8.3920   99.562   19.412   68.833   20.802 30.72928 28.45283 
1 1 1  -35   15   32 o   60.802   15.580   10.737   6.4875   12.946   10.276   9.2733   8.3654   64.656   23.169   56.948   20.834 7.708458 31.15910 
1 1 1  -35   15   33 o   84.828   13.886   20.729   6.9034   39.252   10.985   8.6392   8.8748  113.743   17.873   55.912   21.256 57.83018 27.77176 
1 1 1  -35   15   34 o   41.350   13.288  -2.4595   6.5216  -5.9160   10.049   0.0555   8.5719   40.051   18.720   42.649   18.864 -2.597958 26.57557 
1 1 1  -35   15   35 o   40.315   13.158  -4.6100   6.8221 -11.0752   10.866  -0.4026   8.7652   38.112   18.284   42.518   18.926 -4.405872 26.31568 
1 1 1  -35   15   36 o   64.994   16.630   13.816   8.6877  -7.1171   17.626   20.534   9.9848   52.164   24.511   77.825   22.482 -25.66109 33.26009 
1 1 1  -35   15   37 o   41.354   14.192 -20.2571   10.477 -46.6892   18.109  -6.9595   12.845   37.680   19.003   45.029   21.083 -7.348503 28.38359 
1 1 1  -35   15   38 o   39.081   19.255 -22.3243   14.460 -22.3243   14.460   0.0000   0.0000   39.081   19.255  ?   ?       ?      ? 
1 1 1  -35   15   39 o   48.566   22.320   0.5597   13.410   0.5597   13.410   0.0000   0.0000   48.566   22.320  ?   ?       ?      ? 
1 1 1  -35   15   40 o   77.657   18.029   22.561   8.2694   31.149   14.759   18.631   9.9838   84.906   27.853   70.407   22.900 14.49897 36.05836 
1 1 1  -35   15   41 o   94.741   14.803   29.892   7.2644   38.408   11.718   24.575   9.2584  105.223   21.338   84.259   20.524 20.96339 29.60679 
1 1 1  -35   15   42 o   77.973   18.853   18.296   8.8554   51.351   18.484   8.4486   10.089  103.342   30.792   52.604   21.764 50.73814 37.70692 
1 1 1  -35   16    1 o   76.295   13.187   18.348   5.6499   10.935   9.0634   23.059   7.2256   62.366   21.815   90.224   14.820 -27.85849 26.37331 
1 1 1  -35   16    2 o   45.270   13.436   1.4189   5.4243   4.4392   8.8316  -0.4106   6.8736   51.040   20.648   39.501   17.198 11.53982 26.87248 
1 1 1  -35   16    3 o   54.849   14.084   6.2478   5.4472   12.914   8.9396   2.3110   6.8699   66.128   21.677   43.571   17.988 22.55680 28.16815 
1 1 1  -35   16    4 o   96.583   11.844   27.599   5.7578   25.356   9.4291   28.932   7.2708   91.619   19.636  101.548   13.250 -9.929192 23.68857 
1 1 1  -35   16    5 o   63.535   14.552   11.863   5.6077   11.025   9.3100   12.340   7.0250   62.759   22.100   64.312   18.938 -1.553680 29.10429 
1 1 1  -35   16    6 o  109.121   10.285   32.850   5.9191   37.417   9.6941   30.135   7.4741  114.640   15.649  103.603   13.351 11.03758 20.56997 
1 1 1  -35   16    7 o   93.239   11.922   24.132   5.7674   32.301   9.3707   19.151   7.3176  106.269   16.318   80.209   17.385 26.05987 23.84385 
1 1 1  -35   16    8 o  132.879   8.9938   48.489   6.3433   54.278   10.160   44.792   8.1203  138.953   13.532  126.805   11.851 12.14793 17.98751 
1 1 1  -35   16    9 o   55.552   14.565   7.1536   5.6552   10.656   9.4023   5.1682   7.0787   62.136   22.174   48.968   18.892 13.16822 29.13063 
1 1 1  -35   16   10 o  127.436   9.6284   44.661   6.4792   50.508   10.563   41.134   8.2036  133.581   14.634  121.292   12.517 12.28884 19.25678 
1 1 1  -35   16   11 o   74.382   15.599   16.902   6.7379   19.109   9.7763   14.905   9.2992   78.602   22.096   70.161   22.025 8.440842 31.19888 
1 1 1  -35   16   12 o  169.681   14.077   81.239   12.907   81.239   12.907   0.0000   0.0000  169.681   14.077  ?   ?       ?      ? 
1 1 1  -35   16   13 o   56.956   15.481   6.6684   6.3497   11.430   11.249   4.4420   7.6922   65.092   24.102   48.821   19.435 16.27084 30.96156 
1 1 1  -35   16   14 o  141.025   15.549   65.650   8.0390   51.667   19.419   68.542   8.8314  124.696   29.313  157.353   10.386 -32.65623 31.09883 
1 1 1  -35   16   15 o   65.836   19.143   7.1763   10.339   15.122   18.257   3.4257   12.544   75.598   29.990   56.074   23.800 19.52415 38.28611 
1 1 1  -35   16   16 o   58.322   18.009   1.4193   10.208   5.2365   17.458  -0.5640   12.584   64.723   27.789   51.921   22.915 12.80230 36.01858 
1 1 1  -35   16   17 o   48.210   12.963  -4.5848   5.8246   14.688   9.4038 -16.5812   7.4192   69.389   22.192   27.032   13.405 42.35673 25.92611 
1 1 1  -35   16   18 o   48.851   13.573   3.5828   5.8329  -5.3701   9.3257   9.3357   7.4756   40.245   18.539   57.456   19.828 -17.21032 27.14533 
1 1 1  -35   16   19 o   39.246   12.575  -3.6588   5.8651  -9.9911   9.5977   0.1154   7.4096   37.110   17.631   41.383   17.936 -4.273163 25.15071 
1 1 1  -35   16   20 o   78.378   14.309   19.323   6.0410   17.305   9.7543   20.578   7.6942   74.219   22.426   82.537   17.777 -8.317482 28.61730 
1 1 1  -35   16   21 o   57.420   15.072   8.2214   6.0406   11.445   10.063   6.4060   7.5526   63.270   22.896   51.569   19.608 11.70121 30.14487 
1 1 1  -35   16   22 o   85.727   13.794   23.189   6.1943   19.780   9.7002   25.537   8.0492   78.936   21.947   92.518   16.716 -13.58186 27.58779 
1 1 1  -35   16   23 o   90.193   13.453   25.107   6.2529   24.282   9.8311   25.667   8.1032   87.790   21.005   92.596   16.814 -4.805939 26.90599 
1 1 1  -35   16   24 o   46.779   13.844  -0.8490   6.0564   9.3938   9.9783  -6.8233   7.6207   59.419   22.551   34.139   16.066 25.28028 27.68860 
1 1 1  -35   16   25 o   64.544   14.822   13.044   6.1553   7.6006   10.094   16.268   7.7665   56.781   22.370   72.307   19.452 -15.52576 29.64468 
1 1 1  -35   16   26 o   49.724   14.352   4.4101   5.8834   4.3547   9.9962   4.4395   7.2774   52.063   21.612   47.385   18.891 4.677765 28.70445 
1 1 1  -35   16   27 o  136.719   9.7849   54.705   6.9529   48.172   11.031   59.013   8.9560  128.573   15.877  144.865   11.441 -16.29205 19.56976 
1 1 1  -35   16   28 o   51.509   14.740   4.6159   6.3648   9.1321   9.9147   1.4501   8.3011   58.377   22.401   44.642   19.164 13.73479 29.48051 
1 1 1  -35   16   29 o   55.893   14.907   8.1705   6.5083   1.5750   10.463   12.333   8.3119   48.862   21.246   62.924   20.915 -14.06159 29.81375 
1 1 1  -35   16   30 o   60.832   14.819   11.011   6.4886   2.8302   10.200   16.571   8.4094   49.823   21.312   71.841   20.597 -22.01746 29.63869 
1 1 1  -35   16   31 o   97.744   13.170   29.223   6.6365   34.602   10.340   25.455   8.6543  105.231   18.877   90.257   18.369 14.97387 26.33964 
1 1 1  -35   16   32 o   66.914   15.588   12.294   7.0144   25.412   11.292   4.0533   8.9506   85.393   23.657   48.435   20.305 36.95853 31.17663 
1 1 1  -35   16   33 o   61.204   16.054   11.786   6.9589   11.867   11.228   11.736   8.8674   61.797   23.807   60.611   21.544 1.185886 32.10783 
1 1 1  -35   16   34 o   63.963   15.960   13.344   7.0357   9.4118   10.988   16.077   9.1596   58.528   23.251   69.397   21.871 -10.86840 31.92076 
1 1 1  -35   16   35 o  160.641   9.7770   77.270   8.1647   63.912   12.602   86.934   10.719  146.427   15.927  174.855   11.344 -28.42813 19.55404 
1 1 1  -35   16   36 o   41.543   14.203 -15.1860   9.5672  -9.9099   14.376 -19.3806   12.818   45.460   21.592   37.626   18.457 7.833965 28.40550 
1 1 1  -35   16   37 o   53.525   23.484   5.5518   13.037   0.0000   0.0000   5.5518   13.037  ?   ?    53.525   23.484      ?      ? 
1 1 1  -35   16   38 o   60.201   24.222   13.423   12.082   0.0000   0.0000   13.423   12.082  ?   ?    60.201   24.222      ?      ? 
1 1 1  -35   16   39 o   53.971   16.365   5.0890   8.7586  -1.9437   11.741   13.914   13.152   45.152   20.800   62.790   25.269 -17.63748 32.72908 
1 1 1  -35   16   40 o   79.752   18.498   25.172   9.0139   20.499   11.417   32.905   14.687   72.036   24.515   87.469   27.709 -15.43325 36.99650 
1 1 1  -35   16   41 o   42.043   13.851  -2.2322   7.4510  -0.1075   11.996  -3.5669   9.5076   45.326   20.931   38.760   18.146 6.565758 27.70168 
1 1 1  -35   17    1 o  126.540   9.2493   45.516   6.1433   42.533   9.7277   47.495   7.9233  122.407   14.707  130.673   11.221 -8.265564 18.49865 
1 1 1  -35   17    2 o   72.062   13.752   13.716   5.8186   26.091   9.4625   6.1921   7.3784   92.828   19.485   51.295   19.410 41.53312 27.50321 
1 1 1  -35   17    3 o   60.069   14.043   10.566   5.5879   4.7772   9.1413   14.019   7.0606   51.975   21.014   68.164   18.635 -16.18925 28.08658 
1 1 1  -35   17    4 o  114.424   10.045   36.930   6.0403   37.443   9.7539   36.611   7.6928  114.474   15.768  114.374   12.447 0.9944916E-01 20.08911 
1 1 1  -35   17    5 o  104.693   11.567   32.178   6.1612   30.173   9.8478   33.468   7.8978  100.334   18.856  109.052   13.402 -8.718765 23.13387 
1 1 1  -35   17    6 f   68.716   14.664   14.579   5.9584   11.361   9.5298   16.644   7.6346   63.357   22.354   74.074   18.986 -10.71699 29.32847 
1 1 1  -35   17    7 o   46.244   13.349   2.6707   5.5172  -2.8889   8.7923   6.2820   7.0860   41.492   18.675   50.996   19.080 -9.503616 26.69799 
1 1 1  -35   17    8 o  129.295   9.2495   45.543   6.3461   54.988   10.227   39.629   8.0926  139.678   13.550  118.913   12.594 20.76551 18.49899 
1 1 1  -35   17    9 o   64.705   14.523   12.737   5.9805   6.9926   9.5915   16.390   7.6496   55.994   21.883   73.416   19.100 -17.42148 29.04604 
1 1 1  -35   17   10 o  111.469   12.307   37.071   7.0600   29.937   10.287   43.423   9.7069   99.267   19.871  123.670   14.525 -24.40340 24.61382 
1 1 1  -35   17   11 o   86.129   13.654   20.807   6.1373   32.367   10.217   14.281   7.6767  103.766   18.918   68.491   19.692 35.27485 27.30703 
1 1 1  -35   17   12 o  116.328   11.264   38.314   6.7866   40.856   11.470   36.945   8.4184  118.329   17.938  114.327   13.627 4.001831 22.52720 
1 1 1  -35   17   13 o  104.816   17.699   38.346   7.7153   28.063   20.913   39.966   8.3008   90.486   32.967  119.146   12.893 -28.65979 35.39801 
1 1 1  -35   17   14 o  115.582   18.470   38.429   11.616   68.694   19.775   22.484   14.354  148.243   24.686   82.921   27.481 65.32203 36.94079 
1 1 1  -35   17   15 o  125.149   18.696   48.885   11.720   59.685   20.364   43.536   14.331  132.925   29.153  117.373   23.416 15.55170 37.39252 
1 1 1  -35   17   16 o   52.457   13.960   0.5431   6.3124   15.902   9.9994  -9.6331   8.1392   71.455   22.887   33.460   15.991 37.99480 27.92009 
1 1 1  -35   17   17 o  117.686   10.981   40.923   6.6160   35.978   10.833   43.864   8.3551  110.541   18.136  124.831   12.386 -14.28928 21.96254 
1 1 1  -35   17   18 o   60.219   14.946   10.159   6.5011   2.6789   10.296   15.118   8.3835   50.682   21.539   69.757   20.726 -19.07586 29.89164 
1 1 1  -35   17   19 o   85.657   14.011   21.984   6.2065   26.590   10.202   19.277   7.8203   92.073   20.973   79.241   18.585 12.83144 28.02296 
1 1 1  -35   17   20 o   59.042   14.772   10.068   6.1027   4.8620   10.085   13.076   7.6655   52.927   21.816   65.157   19.923 -12.23058 29.54393 
1 1 1  -35   17   21 o  114.215   13.956   37.297   8.6135   0.0000   0.0000   37.297   8.6135  ?   ?   114.215   13.956      ?      ? 
1 1 1  -35   17   22 f   53.247   14.690   6.6147   6.1367   3.3417   10.057   8.5561   7.7457   50.856   21.433   55.638   20.094 -4.781937 29.37935 
1 1 1  -35   17   23 o  100.639   12.969   32.569   6.4547   23.284   10.440   38.314   8.2123   85.117   22.396  116.161   13.083 -31.04412 25.93733 
1 1 1  -35   17   24 o   35.265   11.900 -12.5420   6.1494  -2.5690   9.7597 -19.1080   7.9190   43.513   19.621   27.018   13.472 16.49459 23.80062 
1 1 1  -35   17   25 o   44.368   13.647   0.7413   6.0248  -1.6364   9.9049   2.1376   7.5905   44.581   19.962   44.156   18.615 0.4257164 27.29435 
1 1 1  -35   17   26 o   64.342   15.742   12.515   6.4869   14.676   10.697   11.258   8.1584   67.919   23.703   60.765   20.723 7.153263 31.48435 
1 1 1  -35   17   27 o   66.033   12.340   11.057   6.5983 -12.3624   10.193   27.948   8.6568   36.381   17.519   95.685   17.383 -59.30409 24.67973 
1 1 1  -35   17   28 o   57.252   15.293   8.3026   6.5339   13.229   10.004   4.6379   8.6284   64.977   22.906   49.527   20.269 15.45070 30.58595 
1 1 1  -35   17   29 o   72.174   15.541   17.238   6.5549   17.184   10.217   17.275   8.5452   71.618   23.156   72.729   20.733 -1.111259 31.08149 
1 1 1  -35   17   30 o   53.801   15.156   6.7827   6.5572   10.979   10.353   3.9717   8.4734   60.098   22.932   47.504   19.823 12.59421 30.31216 
1 1 1  -35   17   31 o   53.704   14.807   4.4542   6.4956   15.939   10.671  -2.3069   8.1872   68.258   23.682   39.150   17.781 29.10799 29.61457 
1 1 1  -35   17   32 o   61.520   16.200   11.762   7.1993   10.751   11.016   12.516   9.5114   60.466   23.501   62.575   22.305 -2.108589 32.40088 
1 1 1  -35   17   33 o   99.830   13.916   29.430   7.5262   55.572   12.101   12.936   9.6116  136.101   16.453   63.559   22.447 72.54266 27.83127 
1 1 1  -35   17   34 o   56.602   17.019   5.0323   9.6275  -4.5946   14.609   12.423   12.800   49.381   22.907   63.822   25.177 -14.44114 34.03865 
1 1 1  -35   17   35 o   90.087   18.362   30.783   9.9417   43.806   14.703   19.813   13.494  108.521   25.504   71.654   26.424 36.86761 36.72408 
1 1 1  -35   17   36 o   88.053   18.824   33.667   9.9191   29.414   15.492   36.622   12.913   79.506   28.453   96.601   24.655 -17.09515 37.64893 
1 1 1  -35   17   37 o   42.261   14.276  -9.1793   7.9041   2.5473   14.700 -13.9483   9.3745   52.240   23.765   32.283   15.825 19.95671 28.55149 
1 1 1  -35   17   38 o   58.647   17.576   10.350   8.7947   6.3176   19.929   11.325   9.8006   59.121   27.185   58.174   22.284 0.9475861 35.15131 
1 1 1  -35   17   39 o   51.265   16.916  -0.8938   8.4333   19.500   20.157  -5.2212   9.2851   65.304   28.903   37.226   17.584 28.07803 33.83133 
1 1 1  -35   18    1 o   59.989   14.294   9.0642   5.7190   16.552   8.9698   3.9352   7.4237   72.877   21.383   47.101   18.974 25.77607 28.58746 
1 1 1  -35   18    2 o   40.613   12.485  -3.3433   5.7737 -14.1610   8.8097   4.8015   7.6443   32.243   15.704   48.982   19.414 -16.73953 24.97046 
1 1 1  -35   18    3 o   79.914   14.288   19.472   6.0904   21.744   9.5850   17.934   7.8872   83.370   21.222   76.458   19.136 6.911629 28.57510 
1 1 1  -35   18    4 o   69.704   15.031   15.163   6.2136   12.743   9.6777   16.861   8.1048   65.494   22.563   73.913   19.866 -8.419426 30.06218 
1 1 1  -35   18    5 o  155.910   8.2695   65.562   6.8163   80.628   11.143   56.554   8.6164  169.475   12.168  142.345   11.202 27.13060 16.53890 
1 1 1  -35   18    6 o   46.497   13.867   2.1454   5.9160   2.5440   8.9781   1.8395   7.8650   48.165   20.272   44.830   18.926 3.335064 27.73358 
1 1 1  -35   18    7 o  100.979   12.718   32.614   6.3385   21.942   10.070   39.618   8.1574   83.384   22.021  118.574   12.731 -35.19025 25.43678 
1 1 1  -35   18    8 o   39.587   12.658  -3.7743   5.9845 -10.9961   9.6926   0.6749   7.6078   36.592   17.478   42.582   18.315 -5.990337 25.31627 
1 1 1  -35   18    9 o  148.339   9.6902   62.738   7.6798   52.046   10.796   73.694   10.927  134.880   14.812  161.798   12.498 -26.91826 19.38045 
1 1 1  -35   18   10 o   69.193   15.898   14.759   6.7925   15.003   10.021   14.552   9.2385   69.694   22.956   68.692   21.999 1.002220 31.79508 
1 1 1  -35   18   11 o   32.322   11.338 -17.7390   6.3301 -14.3671   11.410 -19.2382   7.6083   38.466   18.526   26.178   13.076 12.28768 22.67641 
1 1 1  -35   18   12 o   60.125   18.164   5.1136   7.6623   9.8536   20.695   4.3606   8.2485   71.000   30.364   49.249   19.944 21.75112 36.32792 
1 1 1  -35   18   13 o   63.086   18.538   6.8806   11.065  -8.9189   19.441   14.450   13.457   56.088   26.155   70.084   26.279 -13.99604 37.07683 
1 1 1  -35   18   14 o   58.510   18.154   1.9118   11.181  -7.7365   18.659   7.3176   13.966   55.573   25.817   61.447   25.530 -5.874886 36.30830 
1 1 1  -35   18   15 o   51.492   13.530  -1.0543   6.2781   16.466   9.7048 -13.6632   8.2329   72.119   22.478   30.865   15.066 41.25397 27.05986 
1 1 1  -35   18   16 o   67.402   15.297   13.646   6.2121   16.975   9.9363   11.509   7.9595   73.002   22.743   61.801   20.464 11.20080 30.59411 
1 1 1  -35   18   17 o   83.302   14.264   22.534   6.3294   17.743   10.244   25.493   8.0500   74.379   23.079   92.226   16.771 -17.84735 28.52876 
1 1 1  -35   18   18 o   54.213   14.109   5.9083   6.4300  -6.1108   10.096   14.111   8.3404   41.090   19.055   67.336   20.813 -26.24660 28.21858 
1 1 1  -35   18   19 o   74.917   14.651   18.484   6.3646   11.803   10.301   22.609   8.0942   63.679   23.147   86.154   17.968 -22.47458 29.30237 
1 1 1  -35   18   20 o  100.104   12.944   29.787   6.6219   31.767   10.912   28.633   8.3313  100.788   20.728   99.421   15.508 1.367149 25.88713 
1 1 1  -35   18   21 o   57.330   14.548   3.7347   6.3888   19.853   10.824  -4.8819   7.9143   77.972   23.639   36.689   16.963 41.28311 29.09562 
1 1 1  -35   18   22 o   75.303   13.670   19.047   6.5272   5.2201   10.635   27.402   8.2672   53.800   22.309   96.805   15.804 -43.00477 27.34012 
1 1 1  -35   18   23 o   56.400   15.400   7.6961   6.4175   11.330   10.825   5.7266   7.9689   62.481   23.542   50.320   19.860 12.16149 30.80038 
1 1 1  -35   18   24 o   43.018   13.309  -1.0665   6.2836 -10.5021   10.342   4.4549   7.9112   37.948   18.106   48.088   19.512 -10.14002 26.61807 
1 1 1  -35   18   25 o   56.061   15.332   6.7665   6.5544   13.596   10.776   2.7561   8.2574   65.942   23.716   46.179   19.439 19.76269 30.66486 
1 1 1  -35   18   26 o   80.305   14.701   22.119   6.7384   13.562   10.635   27.860   8.7100   65.483   23.559   95.127   17.592 -29.64422 29.40297 
1 1 1  -35   18   27 o   41.828   13.486  -2.7319   6.5995  -1.8636   10.442  -3.3094   8.5157   44.574   20.180   39.081   17.896 5.493027 26.97200 
1 1 1  -35   18   28 o   63.188   15.858   11.082   6.9821   21.068   11.275   4.8704   8.8921   77.036   24.264   49.340   20.424 27.69635 31.71596 
1 1 1  -35   18   29 o   46.215   13.766   0.0671   6.7279 -12.3896   10.332   9.2368   8.8648   36.161   17.469   56.268   21.280 -20.10709 27.53181 
1 1 1  -35   18   30 o   64.602   15.958   13.781   6.9843   9.6043   11.627   16.140   8.7362   59.398   23.810   69.805   21.253 -10.40740 31.91567 
1 1 1  -35   18   31 o  104.518   14.181   37.689   7.5015   22.840   11.713   48.016   9.7676   80.807   24.610  128.230   14.096 -47.42347 28.36156 
1 1 1  -35   18   32 o   76.879   17.345   20.724   8.3447   26.149   11.836   15.363   11.767   86.167   24.344   67.591   24.712 18.57563 34.68931 
1 1 1  -35   18   33 o   54.495   16.681   5.6517   9.2616  -0.0122   13.616   10.529   12.635   49.819   22.744   59.171   24.408 -9.351093 33.36175 
1 1 1  -35   18   34 o   63.815   17.798   14.432   9.5819   25.878   14.169   4.7860   13.007   76.306   27.221   51.325   22.936 24.98056 35.59562 
1 1 1  -35   18   35 o   63.304   17.498   13.854   8.0681   18.392   15.080   12.034   9.5498   67.565   27.105   59.044   22.138 8.521038 34.99690 
1 1 1  -35   18   36 o   53.756   15.869   7.5734   7.5518   8.8143   11.984   6.7560   9.7259   56.009   23.489   51.503   21.344 4.505527 31.73748 
1 1 1  -35   18   37 o   97.884   15.393   33.119   7.8517   46.783   12.770   24.814   9.9557  114.279   21.468   81.489   22.066 32.79020 30.78641 
1 1 1  -35   18   38 o   66.633   16.839   17.976   7.5331   20.028   12.162   16.699   9.5952   68.126   25.091   65.141   22.465 2.984978 33.67887 
1 1 1  -35   19    1 o   71.747   14.774   14.985   6.2733   23.738   9.8337   8.9786   8.1463   86.620   21.185   56.874   20.597 29.74655 29.54729 
1 1 1  -35   19    2 o  117.390   15.997   40.048   10.147   40.048   10.147   0.0000   0.0000  117.390   15.997  ?   ?       ?      ? 
1 1 1  -35   19    3 o   50.540   14.366   4.5855   5.9291   7.5967   9.3640   2.5702   7.6603   55.887   21.682   45.193   18.853 10.69368 28.73237 
1 1 1  -35   19    4 o   55.324   14.898   6.9916   6.1948   11.498   9.6092   3.7871   8.1035   62.716   22.412   47.931   19.632 14.78487 29.79517 
1 1 1  -35   19    5 o   40.668   12.971  -2.4637   5.9609  -4.2075   9.4651  -1.3176   7.6738   41.340   18.907   39.996   17.761 1.343475 25.94130 
1 1 1  -35   19    6 o   68.577   13.970   12.480   6.0683   25.019   9.4891   3.8041   7.8933   89.606   20.093   47.548   19.414 42.05740 27.94039 
1 1 1  -35   19    7 o   40.860   13.107  -3.1798   6.0756  -1.6759   9.8507  -4.1031   7.7184   44.708   19.971   37.013   16.982 7.695175 26.21466 
1 1 1  -35   19    8 o   67.142   15.941   13.912   6.8393   12.787   9.6915   15.027   9.6531   65.048   22.569   69.237   22.517 -4.188713 31.88110 
1 1 1  -35   19    9 o   57.055   15.515   7.6719   6.8855   11.896   9.9414   3.7770   9.5458   63.582   22.789   50.528   21.059 13.05423 31.02914 
1 1 1  -35   19   10 o   57.846   12.742   6.7023   6.5309 -19.6284   11.269   20.020   8.0142   35.131   17.247   80.562   18.760 -45.43054 25.48314 
1 1 1  -35   19   11 o   44.589   21.344 -14.8018   14.626   0.0000   0.0000 -14.8018   14.626  ?   ?    44.589   21.344      ?      ? 
1 1 1  -35   19   12 o   87.813   21.334   27.487   12.228   22.815   21.121   29.842   14.998   82.603   32.418   93.022   27.741 -10.41976 42.66732 
1 1 1  -35   19   13 o   95.641   17.704   29.324   8.8692   27.064   10.851   33.874   15.395   92.061   22.094   99.221   27.671 -7.160332 35.40893 
1 1 1  -35   19   14 o   57.708   14.921   7.0990   6.4767   15.993   9.9358   0.5276   8.5406   71.099   22.818   44.317   19.232 26.78204 29.84235 
1 1 1  -35   19   15 o   69.594   15.620   15.120   6.5061   15.654   10.356   14.772   8.3624   70.445   23.343   68.743   20.763 1.702263 31.24079 
1 1 1  -35   19   16 o  139.046   9.8770   54.622   7.2740   58.982   11.654   51.840   9.3100  142.877   15.095  135.215   12.742 7.662354 19.75393 
1 1 1  -35   19   17 o   50.083   14.256   3.5550   6.5379  -6.1255   10.434   9.8120   8.3888   41.716   19.354   58.451   20.935 -16.73554 28.51116 
1 1 1  -35   19   18 f   77.034   15.809   18.796   6.8927   22.825   10.823   16.047   8.9399   83.233   23.197   70.835   21.485 12.39795 31.61813 
1 1 1  -35   19   19 o   55.144   15.421   7.2624   6.8656   4.4589   10.638   9.2638   8.9880   52.662   22.110   57.626   21.503 -4.964581 30.84192 
1 1 1  -35   19   20 o   71.585   15.773   16.073   6.7371   20.978   10.503   12.644   8.7815   79.510   23.084   63.660   21.501 15.84998 31.54619 
1 1 1  -35   19   21 o   34.485   11.715 -11.0914   6.4119 -17.3829   10.169  -6.9389   8.2612   33.443   16.412   35.527   16.721 -2.083469 23.42938 
1 1 1  -35   19   22 o   43.945   13.916  -1.6165   6.5839   1.0895   10.770  -3.2310   8.3194   48.800   21.379   39.089   17.819 9.710468 27.83164 
1 1 1  -35   19   23 o   71.719   15.319   17.489   6.8331   10.133   10.987   22.128   8.7258   60.239   23.454   83.199   19.711 -22.95943 30.63737 
1 1 1  -35   19   24 o   40.868   13.234  -3.2208   6.5040  -3.1979   10.038  -3.2374   8.5390   42.530   19.459   39.206   17.941 3.324295 26.46784 
1 1 1  -35   19   25 o   39.376   13.025  -6.5401   6.7788  -1.9953   10.545  -9.7413   8.8498   44.378   20.165   34.374   16.493 10.00418 26.05073 
1 1 1  -35   19   26 o  118.162   11.850   41.787   7.4865   46.940   11.656   38.168   9.7676  123.730   17.434  112.594   16.054 11.13670 23.69957 
1 1 1  -35   19   27 o   40.605   19.173  -8.0602   11.021  -8.0602   11.021   0.0000   0.0000   40.605   19.173  ?   ?       ?      ? 
1 1 1  -35   19   28 o   62.253   16.080   10.086   7.2166   19.901   11.639   3.9564   9.1978   75.551   24.733   48.956   20.557 26.59582 32.16071 
1 1 1  -35   19   29 o  133.489   11.206   53.038   7.7840   53.236   12.783   52.921   9.8130  131.942   17.929  135.036   13.448 -3.093430 22.41242 
1 1 1  -35   19   30 o   46.155   14.886  -3.0139   8.3403   2.3488   11.951  -8.1059   11.645   50.771   22.374   41.540   19.643 9.231133 29.77280 
1 1 1  -35   19   31 o   50.019   15.966   1.4681   9.0946   6.2635   13.842  -2.1743   12.064   54.693   24.092   45.345   20.958 9.348633 31.93192 
1 1 1  -35   19   32 o   52.581   16.411   6.2258   9.1014   7.8221   13.410   4.8626   12.393   54.399   23.844   50.763   22.556 3.635872 32.82180 
1 1 1  -35   19   33 o   42.134   14.201 -13.6993   7.9761   6.9369   14.321 -22.9789   9.6034   55.629   24.504   28.639   14.362 26.98966 28.40295 
1 1 1  -35   19   34 o  108.710   16.506   37.017   9.6963   0.0000   0.0000   37.017   9.6963  ?   ?   108.710   16.506      ?      ? 
1 1 1  -35   19   35 o   52.693   15.820   7.0505   7.7149   12.341   12.266   3.5883   9.9233   58.686   24.110   46.699   20.489 11.98738 31.63951 
1 1 1  -35   19   36 o   40.536   13.199  -4.3845   7.3522 -18.8148   11.713   4.9979   9.4446   33.907   16.819   47.166   20.347 -13.25896 26.39789 
1 1 1  -35   20    1 o  118.323   10.499   39.760   6.6521   45.205   10.286   35.845   8.7214  124.983   15.230  111.663   14.454 13.32087 20.99719 
1 1 1  -35   20    2 o  118.659   10.837   41.669   6.7449   35.322   10.286   46.457   8.9338  109.406   17.398  127.913   12.925 -18.50762 21.67401 
1 1 1  -35   20    3 o  132.216   12.679   49.536   9.0589   0.0000   0.0000   49.536   9.0589  ?   ?   132.216   12.679      ?      ? 
1 1 1  -35   20    4 o  106.545   12.293   33.638   6.7799   34.816   10.708   32.849   8.7591  106.500   19.319  106.590   15.207 -0.9091949E-01 24.58609 
1 1 1  -35   20    5 o   50.760   14.596   4.6304   6.3954   0.5148   10.119   7.3678   8.2525   47.550   20.780   53.971   20.502 -6.420830 29.19188 
1 1 1  -35   20    6 o   58.561   15.329   8.7670   6.4346   13.229   10.021   5.6361   8.3938   65.876   22.944   51.247   20.333 14.62882 30.65738 
1 1 1  -35   20    7 o   44.975   13.626  -0.9933   6.4649  -9.9526   9.5893   6.4719   8.7533   36.832   17.534   53.118   20.863 -16.28674 27.25256 
1 1 1  -35   20    8 f   59.367   16.050   9.2262   7.2399   11.386   10.117   6.9595   10.365   62.669   22.914   56.066   22.479 6.603672 32.09919 
1 1 1  -35   20    9 o  181.029   8.7165   91.459   8.3445   98.952   13.443   86.762   10.643  186.265   13.356  175.792   11.205 10.47325 17.43308 
1 1 1  -35   20   10 o   55.397   24.675   0.4092   14.924   0.0000   0.0000   0.4092   14.924  ?   ?    55.397   24.675      ?      ? 
1 1 1  -35   20   11 o   72.528   20.739   15.421   12.407   10.387   21.978   17.775   15.031   70.836   30.796   74.221   27.785 -3.384949 41.47785 
1 1 1  -35   20   12 o   89.108   17.301   20.859   8.9721   8.6545   10.793   48.153   16.141   58.639   23.123  119.578   25.742 -60.93876 34.60241 
1 1 1  -35   20   13 o   43.488   13.698  -3.5411   6.6731   4.4425   10.171  -9.5755   8.8425   51.946   21.701   35.029   16.721 16.91705 27.39578 
1 1 1  -35   20   14 o   48.540   14.638   2.0377   6.7456   5.7576   10.339  -0.7199   8.9014   53.851   22.130   43.229   19.166 10.62284 29.27584 
1 1 1  -35   20   15 f   64.592   14.777   12.779   6.6865   2.7279   10.280   20.150   8.8032   49.877   21.367   79.307   20.420 -29.42994 29.55496 
1 1 1  -35   20   16 o  114.463   11.318   37.996   6.8951   42.047   10.911   35.303   8.8966  118.866   16.988  110.061   14.959 8.805168 22.63526 
1 1 1  -35   20   17 o   66.310   15.002   14.066   6.6758   5.5042   10.434   19.999   8.6863   53.558   22.144   79.062   20.244 -25.50391 30.00301 
1 1 1  -35   20   18 o  120.630   11.410   43.851   7.1643   38.880   11.305   47.187   9.2613  113.181   18.485  128.079   13.382 -14.89808 22.82045 
1 1 1  -35   20   19 o   58.446   15.360   9.7638   6.7675   4.1760   10.666   13.530   8.7558   51.887   21.980   65.005   21.460 -13.11846 30.71904 
1 1 1  -35   20   20 o   96.605   13.938   27.877   7.0942   42.362   11.497   18.971   9.0150  117.561   18.098   75.649   21.202 41.91171 27.87588 
1 1 1  -35   20   21 o   57.003   15.014   8.9960   6.7885   0.7936   10.467   14.951   8.9185   47.055   20.827   66.952   21.633 -19.89740 30.02885 
1 1 1  -35   20   22 o   66.329   15.990   13.094   6.9197   22.438   11.360   7.5809   8.7253   79.433   24.246   53.226   20.852 26.20660 31.97955 
1 1 1  -35   20   23 o   58.921   15.122   10.220   6.9364   0.5270   11.134   16.369   8.8677   47.932   21.334   69.911   21.437 -21.97871 30.24371 
1 1 1  -35   20   24 o   40.897   13.452  -5.1860   7.1206  -8.0191   11.367  -3.3562   9.1350   41.356   19.510   40.438   18.524 0.9177895 26.90335 
1 1 1  -35   20   25 o  101.777   14.738   32.605   7.7211   40.508   12.328   27.503   9.9044  111.543   21.228   92.011   20.451 19.53191 29.47649 
1 1 1  -35   20   26 o  146.848   16.172   64.487   12.832   64.487   12.832   0.0000   0.0000  146.848   16.172  ?   ?       ?      ? 
1 1 1  -35   20   27 o   39.383   13.196  -8.3354   7.4887 -11.4659   11.555  -6.0683   9.8332   39.301   18.855   39.464   18.468 -0.1624565 26.39265 
1 1 1  -35   20   28 o   53.324   16.216   2.6351   9.3304 -11.0090   13.772   14.212   12.686   42.743   20.526   63.906   25.110 -21.16366 32.43226 
1 1 1  -35   20   29 o   50.602   16.006   4.1252   8.9823   2.9797   13.267   5.0946   12.205   50.174   22.727   51.030   22.543 -0.8564034 32.01112 
1 1 1  -35   20   30 o   61.553   17.920   13.883   9.5391   15.637   14.490   12.541   12.672   63.457   26.152   59.649   24.505 3.808449 35.83928 
1 1 1  -35   20   31 o   41.773   13.459  -5.4050   7.6826 -29.7297   13.972   5.1360   9.1978   34.759   17.415   48.787   20.525 -14.02858 26.91801 
1 1 1  -35   20   32 o   52.430   14.045   4.3215   7.2349 -16.4086   11.590   17.555   9.2605   35.540   17.457   69.320   22.007 -33.77987 28.08973 
1 1 1  -35   20   33 o   70.076   16.308   19.661   7.2568   16.971   11.635   21.374   9.2838   64.689   24.399   75.463   21.643 -10.77405 32.61536 
1 1 1  -35   21    1 o   89.004   14.099   24.718   6.6099   30.244   9.9633   20.374   8.8340   98.271   19.451   79.736   20.415 18.53515 28.19765 
1 1 1  -35   21    2 f   52.148   14.799   5.9675   6.3289   5.7311   9.5905   6.1499   8.4234   52.674   21.441   51.622   20.405 1.051224 29.59879 
1 1 1  -35   21    3 o   69.982   15.328   14.760   6.5559   22.536   10.193   9.2734   8.5620   82.821   22.286   57.144   21.052 25.67790 30.65655 
1 1 1  -35   21    4 o  123.235   10.877   43.528   7.1659   51.493   11.152   37.926   9.3524  132.520   15.573  113.949   15.189 18.57180 21.75347 
1 1 1  -35   21    5 o   84.652   14.878   23.563   6.8546   18.855   10.245   27.379   9.2229   75.536   23.020   93.769   18.856 -18.23289 29.75634 
1 1 1  -35   21    6 f   43.134   13.669  -2.2271   6.6466   1.5311   9.6648  -5.5993   9.1552   47.340   20.502   38.928   18.084 8.411751 27.33797 
1 1 1  -35   21    7 o   51.500   14.996   3.0323   7.3618   10.613   9.8806  -6.4279   11.037   60.535   22.554   42.466   19.771 18.06901 29.99252 
1 1 1  -35   21    8 o   81.144   33.906   22.950   24.834   22.950   24.834   0.0000   0.0000   81.144   33.906  ?   ?       ?      ? 
1 1 1  -35   21    9 o   71.972   28.359   16.286   16.223   0.0000   0.0000   16.286   16.223  ?   ?    71.972   28.359      ?      ? 
1 1 1  -35   21   10 o   64.759   19.974   7.2946   13.251  -6.4775   24.479   13.002   15.759   61.630   28.936   67.889   27.541 -6.259392 39.94742 
1 1 1  -35   21   11 o  100.943   13.767   31.564   7.2895   45.450   10.812   19.993   9.8701  124.021   16.133   77.865   22.311 46.15623 27.53334 
1 1 1  -35   21   12 o   61.612   16.100   11.343   7.0852   11.154   10.415   11.506   9.6663   61.551   23.112   61.673   22.421 -0.1221695 32.20038 
1 1 1  -35   21   13 o   99.827   14.547   31.776   7.5317   33.480   11.471   30.486   9.9854  101.435   21.591   98.220   19.502 3.214577 29.09477 
1 1 1  -35   21   14 o   51.241   14.486   3.7593   6.9028  -7.1819   10.472   12.165   9.1791   40.297   18.922   62.184   21.939 -21.88628 28.97159 
1 1 1  -35   21   15 o   57.635   15.631   8.4727   6.8610   14.558   10.776   4.3232   8.8978   66.385   23.733   48.885   20.349 17.50089 31.26242 
1 1 1  -35   21   16 o   56.492   15.640   8.9085   6.9547   6.9283   10.852   10.289   9.0598   54.778   22.610   58.206   21.614 -3.428146 31.27921 
1 1 1  -35   21   17 o   42.260   13.398  -2.7314   6.7360 -11.2967   10.235   3.8137   8.9468   36.555   17.591   47.966   20.215 -11.41117 26.79687 
1 1 1  -35   21   18 o   71.350   15.736   17.750   7.2018   10.201   11.111   23.219   9.4574   59.321   23.439   83.379   21.002 -24.05753 31.47160 
1 1 1  -35   21   19 o   92.179   15.059   27.017   7.3825   38.626   11.650   19.225   9.5434  109.049   20.523   75.309   22.044 33.74028 30.11861 
1 1 1  -35   21   20 o   53.832   15.206   6.5824   7.0591   0.0069   10.835   11.432   9.3051   47.085   20.995   60.579   22.002 -13.49324 30.41179 
1 1 1  -35   21   21 o   36.671   12.321 -11.3707   7.0340 -23.7160   10.896  -2.5494   9.2104   31.890   15.885   41.451   18.839 -9.560886 24.64211 
1 1 1  -35   21   22 o  112.141   12.554   37.872   7.5005   41.153   11.786   35.638   9.7238  115.314   18.914  108.967   16.514 6.347176 25.10868 
1 1 1  -35   21   23 o   43.246   13.975  -5.0208   7.2596   2.9677   11.384 -10.4957   9.4245   51.090   22.188   35.401   16.995 15.68889 27.94915 
1 1 1  -35   21   24 o   46.333   14.302   0.1758   7.2017  -8.2507   10.912   6.6788   9.5860   39.959   18.931   52.707   21.444 -12.74828 28.60405 
1 1 1  -35   21   25 o   53.869   16.004   2.6513   8.8985 -11.3284   12.456   17.223   12.717   40.138   19.338   67.601   25.506 -27.46288 32.00797 
1 1 1  -35   21   26 o   71.117   18.285   21.336   9.5995   13.734   14.191   27.748   13.034   61.013   25.573   81.221   26.142 -20.20803 36.57022 
1 1 1  -35   21   27 o   57.573   17.173   9.6677   9.6296   1.0282   13.973   17.482   13.289   49.441   22.745   65.705   25.736 -16.26482 34.34602 
1 1 1  -35   21   28 o   78.707   18.274   24.857   9.9229   12.914   14.457   35.495   13.644   61.897   25.867   95.517   25.819 -33.62022 36.54747 
1 1 1  -35   21   29 o   84.446   18.045   26.416   8.5445   34.550   14.840   22.383   10.450   91.260   27.681   77.631   23.158 13.62903 36.09075 
1 1 1  -35   21   30 o   29.870   15.028 -26.5281   10.951 -26.5281   10.951   0.0000   0.0000   29.870   15.028  ?   ?       ?      ? 
1 1 1  -35   21   31 o   34.764   12.021 -11.8655   7.2078 -12.2137   11.775 -11.6568   9.1148   37.157   18.111   32.370   15.812 4.787857 24.04198 
1 1 1  -35   22    1 o   81.031   15.215   22.416   6.8915   17.930   10.007   26.464   9.5049   72.130   22.873   89.932   20.068 -17.80198 30.42906 
1 1 1  -35   22    2 o   92.765   14.524   28.757   7.0890   24.439   10.547   32.315   9.5740   84.301   22.664  101.228   18.170 -16.92780 29.04848 
1 1 1  -35   22    3 o   69.932   16.361   16.753   7.1805   17.106   10.593   16.454   9.7668   70.373   23.615   69.490   22.652 0.8831635 32.72286 
1 1 1  -35   22    4 o   93.789   14.818   29.165   7.2925   28.554   10.899   29.659   9.8126   91.783   22.215   95.794   19.617 -4.011475 29.63625 
1 1 1  -35   22    5 o   78.619   16.172   21.217   7.2573   23.233   10.834   19.576   9.7747   81.631   23.371   75.608   22.360 6.022461 32.34462 
1 1 1  -35   22    6 o   60.194   19.019   6.0754   10.737   5.3491   24.516   6.2477   11.943   65.289   30.069   55.099   23.296 10.19046 38.03744 
1 1 1  -35   22    7 o  100.176   35.460   47.185   23.999   47.185   23.999   0.0000   0.0000  100.176   35.460  ?   ?       ?      ? 
1 1 1  -35   22    8 o   61.096   27.085   6.6329   17.771   0.0000   0.0000   6.6329   17.771  ?   ?    61.096   27.085      ?      ? 
1 1 1  -35   22    9 o   63.628   18.539   8.9364   9.5554   3.4167   11.363   22.266   17.658   51.124   22.185   76.132   29.708 -25.00829 37.07767 
1 1 1  -35   22   10 o   82.926   15.169   23.702   7.3619   13.318   10.577   33.461   10.253   63.769   23.412  102.083   19.295 -38.31445 30.33822 
1 1 1  -35   22   11 o   60.022   16.043   10.996   7.1075   12.474   10.515   9.7526   9.6447   62.446   23.266   57.599   22.096 4.846416 32.08648 
1 1 1  -35   22   12 o   51.637   15.210   5.2693   7.0969   2.8084   10.550   7.3032   9.5912   49.391   21.405   53.883   21.616 -4.491795 30.42097 
1 1 1  -35   22   13 o   43.483   13.774  -4.2162   7.1242   5.4850   10.231 -13.3495   9.9266   52.261   21.793   34.706   16.851 17.55527 27.54777 
1 1 1  -35   22   14 o   35.485   12.196 -14.1759   7.3957 -14.6513   10.754 -13.7493   10.187   35.862   17.441   35.109   17.052 0.7522125 24.39174 
1 1 1  -35   22   15 o   54.398   15.985   5.5350   8.1162  -1.7633   12.516   10.831   10.662   48.373   21.976   60.424   23.220 -12.05107 31.97005 
1 1 1  -35   22   16 o   52.511   22.036   5.1403   10.558   0.0000   0.0000   5.1403   10.558  ?   ?    52.511   22.036      ?      ? 
1 1 1  -35   22   18 o   62.407   16.192   11.497   7.7621   3.0640   11.664   18.201   10.399   51.703   22.457   73.110   23.332 -21.40758 32.38340 
1 1 1  -35   22   19 f   50.545   15.264   3.4704   7.5454  -1.2513   11.440   7.1061   10.039   46.863   21.177   54.227   21.987 -7.363983 30.52722 
1 1 1  -35   22   20 f   37.603   12.643  -9.6814   7.1928 -16.9405   10.747  -3.7905   9.6810   34.361   16.864   40.845   18.842 -6.483681 25.28633 
1 1 1  -35   22   21 o   54.653   15.791   8.3485   7.3940   7.2413   11.104   9.2304   9.9106   53.806   22.590   55.499   22.071 -1.692780 31.58211 
1 1 1  -35   22   22 o   47.706   15.322   1.1720   8.5854  -0.8431   11.748   3.4820   12.578   45.333   20.855   50.079   22.454 -4.746773 30.64483 
1 1 1  -35   22   23 o   72.543   18.915   22.709   9.9821   29.279   14.481   16.761   13.779   80.837   27.609   64.250   25.862 16.58673 37.82964 
1 1 1  -35   22   24 o   40.065   13.710 -11.8320   9.0461 -10.9910   13.389 -12.5383   12.270   41.414   19.977   38.715   18.783 2.698883 27.42034 
1 1 1  -35   22   25 o   75.907   18.341   22.941   9.2708   17.698   13.278   27.928   12.950   67.797   25.946   84.018   25.929 -16.22073 36.68117 
1 1 1  -35   22   26 o   74.166   27.499   23.221   14.654   23.221   14.654   0.0000   0.0000   74.166   27.499  ?   ?       ?      ? 
1 1 1  -35   22   27 o   43.283   13.849  -5.9564   7.3597   10.151   11.404 -17.4524   9.6344   55.817   23.120   30.748   15.252 25.06919 27.69775 
1 1 1  -35   22   28 o   53.068   15.565   8.8930   7.2967   10.720   10.869   7.3943   9.8450   55.499   22.735   50.638   21.266 4.860569 31.13074 
1 1 1  -35   23    1 o  105.317   13.636   35.355   7.4084   54.150   10.874   19.073   10.121  135.629   14.837   75.005   22.884 60.62389 27.27281 
1 1 1  -35   23    2 o  135.727   12.242   56.443   8.1354   82.014   11.952   34.365   11.105  168.413   13.133  103.042   20.664 65.37038 24.48409 
1 1 1  -35   23    3 o  115.966   13.830   42.626   8.1700   58.157   11.861   28.605   11.270  139.861   15.695   92.071   22.777 47.78979 27.66049 
1 1 1  -35   23    4 o   77.837   17.122   20.833   7.9562   23.622   11.824   18.525   10.756   82.097   24.665   73.577   23.755 8.520653 34.24380 
1 1 1  -35   23    5 o   69.420   20.843   9.4904   14.249   28.491   21.555  -5.2590   18.991   83.727   32.781   55.113   25.751 28.61339 41.68596 
1 1 1  -35   23    7 o   91.660   13.741   27.737   10.819   60.608   13.534 -30.4730   18.010  140.996   17.763   42.325   20.970 98.67093 27.48233 
1 1 1  -35   23    8 o   96.919   15.705   32.116   8.3892   21.957   12.407   40.673   11.387   78.736   25.523  115.102   18.308 -36.36622 31.40976 
1 1 1  -35   23    9 o   80.234   16.854   22.216   7.8436   21.308   10.993   23.158   11.195   78.593   23.821   81.874   23.850 -3.281448 33.70825 
1 1 1  -35   23   10 o   72.588   16.974   18.056   7.7744   19.575   10.824   16.437   11.173   75.436   23.775   69.740   24.232 5.695953 33.94770 
1 1 1  -35   23   11 o   43.658   14.136  -3.3933   7.5379  -5.4804   10.960  -1.5200   10.384   42.491   19.755   44.825   20.223 -2.333637 28.27118 
1 1 1  -35   23   12 o   34.142   11.831 -16.9340   7.3975 -12.9334   10.520 -20.8467   10.404   36.320   17.566   31.964   15.854 4.356602 23.66260 
1 1 1  -35   23   13 o   35.516   12.213 -15.6538   7.4989 -23.0436   10.498  -7.9548   10.715   31.152   15.529   39.880   18.853 -8.727661 24.42524 
1 1 1  -35   23   14 o   86.414   16.159   25.697   7.8686   34.527   11.649   18.287   10.671  100.904   21.986   71.924   23.689 28.97921 32.31896 
1 1 1  -35   23   15 o   35.886   12.269 -14.6292   7.5220 -26.3997   11.042  -4.4386   10.275   30.696   15.394   41.076   19.108 -10.38056 24.53739 
1 1 1  -35   23   16 o   43.634   13.816  -3.6120   7.5643 -18.4716   11.559   7.5184   10.004   34.612   17.084   52.655   21.719 -18.04316 27.63289 
1 1 1  -35   23   17 f   58.627   15.301   10.500   7.5956  -2.5911   11.439   20.822   10.158   43.439   20.192   73.816   22.995 -30.37685 30.60188 
1 1 1  -35   23   18 o   54.313   16.043   8.9857   7.7954   10.197   11.887   8.0720   10.326   56.071   23.446   52.556   21.903 3.515518 32.08517 
1 1 1  -35   23   19 o   65.504   18.044   16.988   9.1096   15.544   11.970   18.975   14.043   63.525   24.551   67.482   26.449 -3.957638 36.08715 
1 1 1  -35   23   20 o   61.005   17.535   12.687   9.0631   10.759   12.535   14.800   13.120   58.435   24.224   63.575   25.359 -5.139668 35.06974 
1 1 1  -35   23   21 o   50.276   15.919   1.8833   9.0951  -3.7365   13.158   7.0248   12.586   45.958   21.460   54.594   23.519 -8.635757 31.83869 
1 1 1  -35   23   22 o   81.517   17.320   24.665   9.4893   42.072   13.891   9.4369   12.993  105.826   24.736   57.208   24.249 48.61794 34.63929 
1 1 1  -35   23   23 o   43.952   14.201  -2.5546   8.0828 -14.9572   12.869   5.5265   10.387   38.183   18.680   49.721   21.394 -11.53775 28.40145 
1 1 1  -35   23   24 o   66.815   16.504   17.848   7.7132   11.800   11.289   23.145   10.564   57.289   23.285   76.341   23.395 -19.05230 33.00782 
1 1 1  -35   23   25 o   60.903   16.550   13.687   7.7807   20.995   11.897   8.2243   10.285   69.937   24.944   51.869   21.757 18.06739 33.09947 
1 1 1  -35   24    1 o   49.672   14.949   4.8141   7.1414  -0.0335   9.5491   10.966   10.757   42.531   19.272   56.814   22.857 -14.28258 29.89749 
1 1 1  -35   24    2 o   50.173   15.100   5.8309   7.2316   3.0451   10.088   8.7760   10.372   46.582   20.540   53.764   22.138 -7.182743 30.19944 
1 1 1  -35   24    3 o   61.419   27.433 -17.6726   14.038 -58.0631   21.423   12.721   18.584  ?   ?    61.419   27.433      ?      ? 
1 1 1  -35   24    4 o   56.042   18.507  -1.0912   13.695   19.939   21.525 -15.3941   17.752   67.158   29.789   44.926   21.971 22.23206 37.01448 
1 1 1  -35   24    5 o   60.667   27.724   10.788   20.297   10.788   20.297   0.0000   0.0000   60.667   27.724  ?   ?       ?      ? 
1 1 1  -35   24    6 o   45.833   14.203  -0.1917   7.4091   9.9784   10.257 -11.2868   10.714   55.394   22.308   36.273   17.587 19.12097 28.40657 
1 1 1  -35   24    7 f   50.608   15.468   4.7917   7.8914   11.002   11.637  -0.4955   10.737   57.210   23.491   44.005   20.131 13.20488 30.93653 
1 1 1  -35   24    8 o   49.793   15.277   5.1464   7.6636   2.5812   10.748   7.7998   10.931   46.832   20.894   52.753   22.294 -5.921284 30.55464 
1 1 1  -35   24    9 o   39.563   13.216  -5.4613   7.4420  -3.6731   10.237  -7.4657   10.838   40.401   18.886   38.726   18.492 1.675259 26.43240 
1 1 1  -35   24   10 o   50.741   15.410   6.1082   7.6399   3.6417   10.707   8.6661   10.904   47.786   21.112   53.696   22.454 -5.910072 30.82059 
1 1 1  -35   24   11 o   39.591   13.186  -5.2323   7.3205  -7.9882   10.363  -2.4877   10.342   37.564   17.977   41.619   19.295 -4.055645 26.37218 
1 1 1  -35   24   12 o   40.906   13.525  -4.4265   7.5064  -0.7993   10.454  -8.2867   10.785   43.480   19.880   38.332   18.344 5.147449 27.05027 
1 1 1  -35   24   13 o   61.775   16.374   12.958   7.7578   19.888   11.137   6.4261   10.812   71.735   24.214   51.815   22.047 19.91986 32.74752 
1 1 1  -35   24   14 o   43.121   13.997  -2.0956   7.4018   0.3116   10.961  -4.1135   10.036   45.849   20.723   40.393   18.821 5.455971 27.99460 
1 1 1  -35   24   15 o   49.793   15.634   3.0339   8.3866   3.9187   11.181   1.8959   12.680   49.840   21.811   49.746   22.405 0.9463501E-01 31.26785 
1 1 1  -35   24   16 o   46.201   15.233  -3.3750   9.3128  -4.2140   12.946  -2.4752   13.407   45.253   21.181   47.149   21.897 -1.896076 30.46553 
1 1 1  -35   24   17 o   60.042   17.183   10.446   9.5203  -1.3455   13.871   20.946   13.090   48.251   22.362   71.833   26.095 -23.58191 34.36566 
1 1 1  -35   24   18 o   79.500   18.864   27.137   9.6338   24.257   13.784   29.887   13.470   74.832   26.833   84.169   26.522 -9.337029 37.72788 
1 1 1  -35   24   19 o   45.830   15.154  -2.2633   9.3815  -5.8761   13.288   1.3268   13.247   43.370   20.646   48.289   22.189 -4.919033 30.30836 
1 1 1  -35   24   20 o   69.227   17.719   17.867   8.6502   32.770   14.347   9.3536   10.843   84.731   27.443   53.723   22.422 31.00820 35.43839 
1 1 1  -35   25    1 o   77.445   20.102   22.972   14.882 -16.4595   22.635   52.995   19.751   49.718   24.416  105.173   31.941 -55.45500 40.20413 
1 1 1  -35   25    2 o   53.220   17.898  -4.4180   13.959   7.3514   20.925 -13.8559   18.738   59.438   27.517   47.001   22.895 12.43626 35.79656 
1 1 1  -35   25    3 o   56.755   18.792  -5.4878   14.458   23.468   22.694 -25.2703   18.757   70.645   30.990   42.865   21.266 27.77939 37.58460 
1 1 1  -35   25    4 o   47.883   14.766   1.9903   7.8377   9.3280   10.011  -9.6329   12.599   54.878   22.060   40.888   19.635 13.98986 29.53239 
1 1 1  -35   25    5 o   51.489   15.536   6.2172   7.3867   5.8799   9.1769   6.8378   12.449   49.335   20.612   53.643   23.249 -4.307343 31.07101 
1 1 1  -35   25    6 o  116.454   13.180   44.845   8.0709   41.464   11.532   48.092   11.300  110.124   20.121  122.784   17.031 -12.66010 26.36062 
1 1 1  -35   25    7 o   41.204   13.546  -6.4586   7.7972 -18.4910   11.575   3.5379   10.550   34.414   17.007   47.993   21.089 -13.57865 27.09243 
1 1 1  -35   25    8 o   50.386   15.188   6.0259   7.2768   6.5074   9.9051   5.4614   10.726   50.607   21.296   50.166   21.662 0.4414482 30.37654 
1 1 1  -35   25    9 f   65.061   16.495   15.999   7.5698   20.825   10.786   11.315   10.627   72.781   23.808   57.341   22.838 15.44018 32.99090 
1 1 1  -35   25   10 o   34.591   12.156 -19.3126   8.0781 -23.4883   10.255 -12.4865   13.112   29.542   14.818   39.640   19.274 -10.09849 24.31199 
1 1 1  -35   25   11 o   37.016   12.863 -16.3132   8.6812 -22.1622   11.565  -8.7635   13.139   32.527   16.228   41.505   19.963 -8.978104 25.72658 
1 1 1  -35   25   12 o   45.425   14.867  -0.5843   8.6188  -1.2360   11.919   0.1299   12.478   44.540   20.672   46.310   21.373 -1.770317 29.73433 
1 1 1  -35   25   13 o   64.439   17.640   17.319   9.1272   22.658   12.411   11.032   13.469   72.193   25.506   56.685   24.375 15.50799 35.28064 
1 1 1  -35   25   14 o   52.915   16.212   7.0955   9.0331   14.079   12.149  -1.5376   13.508   59.829   24.213   46.001   21.565 13.82766 32.42411 
1 1 1  -34    0    1 o   83.420   10.963   20.754   6.2796   20.754   6.2796   20.754   6.2796   83.420   15.504   83.420   15.504 0.000000 0.000000 
1 1 1  -34    0    2 o  113.280   8.0657   35.851   6.8200   35.851   6.8200   35.851   6.8200  113.280   11.407  113.280   11.407 0.000000 0.000000 
1 1 1  -34    0    3 o  108.856   8.4738   33.301   6.8312   33.301   6.8312   33.301   6.8312  108.856   11.984  108.856   11.984 0.000000 0.000000 
1 1 1  -34    0    4 o  392.092   5.8160  416.807   17.409  416.807   17.409  416.807   17.409  392.092   8.2250  392.092   8.2250 0.000000 0.000000 
1 1 1  -34    0    5 o  114.349   8.1105   36.524   6.9238   36.524   6.9238   36.524   6.9238  114.349   11.470  114.349   11.470 0.000000 0.000000 
1 1 1  -34    0    6 o  158.770   6.2155   68.897   7.4884   68.897   7.4884   68.897   7.4884  158.770   8.7900  158.770   8.7900 0.000000 0.000000 
1 1 1  -34    0    7 o  241.648   5.2920  158.504   9.7512  158.504   9.7512  158.504   9.7512  241.648   7.4840  241.648   7.4840 0.000000 0.000000 
1 1 1  -34    0    8 o   17.528   8.9576 -11.8715   6.2347 -11.8715   6.2347 -11.8715   6.2347   17.528   12.668   17.528   12.668 0.000000 0.000000 
1 1 1  -34    0    9 o   85.199   10.560   21.445   6.2437   21.445   6.2437   21.445   6.2437   85.199   14.934   85.199   14.934 0.000000 0.000000 
1 1 1  -34    0   10 o   27.651   12.622  -0.0517   6.2145  -0.0517   6.2145  -0.0517   6.2145   27.651   17.851   27.651   17.851 0.000000 0.000000 
1 1 1  -34    0   11 o  135.519   6.9612   50.552   7.1218   50.552   7.1218   50.552   7.1218  135.519   9.8446  135.519   9.8446 0.000000 0.000000 
1 1 1  -34    0   14 o  254.548   5.5131  175.908   10.702  175.908   10.702  175.908   10.702  254.548   7.7968  254.548   7.7968 0.000000 0.000000 
1 1 1  -34    0   15 o  151.976   6.7983   63.344   7.8231   63.344   7.8231   63.344   7.8231  151.976   9.6143  151.976   9.6143 0.000000 0.000000 
1 1 1  -34    0   16 o  156.528   6.7787   67.154   8.0388   67.154   8.0388   67.154   8.0388  156.528   9.5865  156.528   9.5865 0.000000 0.000000 
1 1 1  -34    0   17 o  175.794   6.2148   84.360   8.3013   84.360   8.3013   84.360   8.3013  175.794   8.7890  175.794   8.7890 0.000000 0.000000 
1 1 1  -34    0   18 o  320.224   5.5575  278.234   13.581  278.234   13.581  278.234   13.581  320.224   7.8595  320.224   7.8595 0.000000 0.000000 
1 1 1  -34    0   19 o  229.453   5.6653  143.150   9.9064  143.150   9.9064  143.150   9.9064  229.453   8.0120  229.453   8.0120 0.000000 0.000000 
1 1 1  -34    0   20 o   80.652   14.211   20.763   7.5788   20.763   7.5788   20.763   7.5788   80.652   20.098   80.652   20.098 0.000000 0.000000 
1 1 1  -34    0   23 o   19.729   10.231 -26.6216   10.106 -26.6216   10.106 -26.6216   10.106   19.729   14.469   19.729   14.469 0.000000 0.000000 
1 1 1  -34    0   24 o  288.965   5.6804  226.865   12.522  226.865   12.522  226.865   12.522  288.965   8.0332  288.965   8.0332 0.000000 0.000000 
1 1 1  -34    0   25 o  127.904   8.1190   45.559   7.7887   45.559   7.7887   45.559   7.7887  127.904   11.482  127.904   11.482 0.000000 0.000000 
1 1 1  -34    0   26 o   22.537   11.066  -5.7033   6.6839  -5.7033   6.6839  -5.7033   6.6839   22.537   15.650   22.537   15.650 0.000000 0.000000 
1 1 1  -34    0   27 o  119.360   8.7546   40.071   7.7887   40.071   7.7887   40.071   7.7887  119.360   12.381  119.360   12.381 0.000000 0.000000 
1 1 1  -34    0   28 o  167.881   6.5235   77.262   8.3115   77.262   8.3115   77.262   8.3115  167.881   9.2256  167.881   9.2256 0.000000 0.000000 
1 1 1  -34    0   29 o  188.378   6.3030   97.042   9.0273   97.042   9.0273   97.042   9.0273  188.378   8.9138  188.378   8.9138 0.000000 0.000000 
1 1 1  -34    0   30 o   45.516   16.214   8.5410   6.9653   8.5410   6.9653   8.5410   6.9653   45.516   22.930   45.516   22.930 0.000000 0.000000 
1 1 1  -34    0   31 o   48.712   16.859   9.8170   7.4344   9.8170   7.4344   9.8170   7.4344   48.712   23.843   48.712   23.843 0.000000 0.000000 
1 1 1  -34    0   32 o   50.514   16.732   10.485   7.2289   10.485   7.2289   10.485   7.2289   50.514   23.663   50.514   23.663 0.000000 0.000000 
1 1 1  -34    0   33 o   69.871   15.735   17.108   7.3994   17.108   7.3994   17.108   7.3994   69.871   22.253   69.871   22.253 0.000000 0.000000 
1 1 1  -34    0   34 o   39.267   15.606   5.9691   7.0950   5.9691   7.0950   5.9691   7.0950   39.267   22.070   39.267   22.070 0.000000 0.000000 
1 1 1  -34    0   35 o   91.741   12.208   25.552   7.6730   25.552   7.6730   25.552   7.6730   91.741   17.264   91.741   17.264 0.000000 0.000000 
1 1 1  -34    0   36 o   96.396   11.125   27.596   7.5395   27.596   7.5395   27.596   7.5395   96.396   15.733   96.396   15.733 0.000000 0.000000 
1 1 1  -34    0   37 o   88.149   12.917   24.113   7.6774   24.113   7.6774   24.113   7.6774   88.149   18.267   88.149   18.267 0.000000 0.000000 
1 1 1  -34    0   38 o   38.750   15.852   5.5791   7.6248   5.5791   7.6248   5.5791   7.6248   38.750   22.418   38.750   22.418 0.000000 0.000000 
1 1 1  -34    0   39 f   69.108   15.906   17.064   7.4347   17.064   7.4347   17.064   7.4347   69.108   22.495   69.108   22.495 0.000000 0.000000 
1 1 1  -34    0   40 o  107.105   10.546   33.572   8.1530   33.572   8.1530   33.572   8.1530  107.105   14.914  107.105   14.914 0.000000 0.000000 
1 1 1  -34    0   41 o   35.654   15.234   4.0041   7.6124   4.0041   7.6124   4.0041   7.6124   35.654   21.545   35.654   21.545 0.000000 0.000000 
1 1 1  -34    0   42 f   23.433   11.522  -5.9478   7.3163  -5.9478   7.3163  -5.9478   7.3163   23.433   16.295   23.433   16.295 0.000000 0.000000 
1 1 1  -34    0   43 o  147.298   8.1085   60.801   9.0000   60.801   9.0000   60.801   9.0000  147.298   11.467  147.298   11.467 0.000000 0.000000 
1 1 1  -34    0   44 o  197.714   6.9312  108.067   10.414  108.067   10.414  108.067   10.414  197.714   9.8023  197.714   9.8023 0.000000 0.000000 
1 1 1  -34    0   45 o   72.208   17.888   19.755   8.9421   19.755   8.9421   19.755   8.9421   72.208   25.297   72.208   25.297 0.000000 0.000000 
1 1 1  -34    0   46 f   84.700   16.798   25.006   9.4103   25.006   9.4103   25.006   9.4103   84.700   23.755   84.700   23.755 0.000000 0.000000 
1 1 1  -34    0   47 o  100.060   12.716   31.141   8.7891   31.141   8.7891   31.141   8.7891  100.060   17.983  100.060   17.983 0.000000 0.000000 
1 1 1  -34    0   48 o   19.962   10.282 -19.2228   9.1400 -19.2228   9.1400 -19.2228   9.1400   19.962   14.542   19.962   14.542 0.000000 0.000000 
1 1 1  -34    0   51 o   40.009   17.386   6.4750   10.286   6.4750   10.286   6.4750   10.286   40.009   24.587   40.009   24.587 0.000000 0.000000 
1 1 1  -34    0   52 o   27.607   13.396  -4.0602   9.1119  -4.0602   9.1119  -4.0602   9.1119   27.607   18.944   27.607   18.944 0.000000 0.000000 
1 1 1  -34    0   53 o   68.201   18.874   20.274   9.4096   20.274   9.4096   20.274   9.4096   68.201   26.692   68.201   26.692 0.000000 0.000000 
1 1 1  -34    1    1 o  118.597   7.3222   38.262   4.6924   37.906   6.6191   38.621   6.6532  118.042   10.377  119.152   10.333 -1.110199 14.64447 
1 1 1  -34    1    2 o  264.092   5.2241  188.959   7.4520  193.741   10.730  184.504   10.357  267.312   7.4282  260.871   7.3475 6.440216 10.44818 
1 1 1  -34    1    3 o  103.262   8.7129   29.474   4.7791   23.580   6.8199   35.162   6.6990   92.875   13.589  113.649   10.908 -20.77427 17.42571 
1 1 1  -34    1    4 o  267.744   5.2262  194.278   7.5581  186.388   10.582  202.496   10.799  262.187   7.4689  273.301   7.3123 -11.11438 10.45249 
1 1 1  -34    1    5 o  256.921   5.2358  178.978   7.2683  176.684   10.290  181.262   10.268  255.271   7.4598  258.571   7.3488 -3.299606 10.47158 
1 1 1  -34    1    6 o  178.309   5.8347   86.317   5.6187   83.400   7.9706   89.199   7.9218  175.298   8.4145  181.320   8.0852 -6.022568 11.66932 
1 1 1  -34    1    7 o  201.045   5.6348  109.674   6.1201  107.841   8.6985  111.472   8.6124  199.370   8.0742  202.720   7.8621 -3.350555 11.26968 
1 1 1  -34    1    8 o  176.253   5.8630   84.330   5.5809   81.004   7.8867   87.666   7.8984  172.756   8.4483  179.750   8.1318 -6.993561 11.72604 
1 1 1  -34    1    9 o  173.128   6.0055   81.283   5.6157   84.333   8.0826   78.436   7.8081  176.266   8.4858  169.990   8.5003 6.275467 12.01101 
1 1 1  -34    1   10 o  165.755   6.1837   74.517   5.5352   72.404   7.6650   76.820   8.0017  163.307   8.6860  168.203   8.8036 -4.895142 12.36731 
1 1 1  -34    1   11 o  219.057   5.6022  130.220   6.6289  133.454   9.3346  126.929   9.4153  221.817   7.7878  216.298   8.0555 5.519821 11.20449 
1 1 1  -34    1   12 o  200.131   5.8146  108.543   6.2838  113.851   9.0692  103.641   8.7148  204.835   8.1936  195.428   8.2524 9.407013 11.62922 
1 1 1  -34    1   13 o  381.426   5.8619  394.806   12.081  388.693   17.005  401.036   17.167  378.440   8.3156  384.412   8.2644 -5.972382 11.72390 
1 1 1  -34    1   14 o  172.690   6.2278   81.051   5.8060   84.880   8.1948   77.191   8.2271  176.811   8.5771  168.568   9.0320 8.243210 12.45564 
1 1 1  -34    1   15 o  331.105   5.5415  297.414   9.9132  290.209   13.934  304.798   14.106  327.037   7.8849  335.174   7.7885 -8.136749 11.08293 
1 1 1  -34    1   16 o  309.585   5.4622  259.774   9.1309  267.421   13.229  252.815   12.619  313.919   7.7987  305.251   7.6501 8.667816 10.92445 
1 1 1  -34    1   17 o  158.247   6.6021   68.190   5.6333   66.701   8.1888   69.527   7.7618  156.567   9.6791  159.928   8.9815 -3.360977 13.20421 
1 1 1  -34    1   18 o   99.689   9.4199   27.332   5.0513   24.595   7.1907   30.000   7.0974   94.663   14.057  104.715   12.543 -10.05169 18.83980 
1 1 1  -34    1   19 o   58.582   12.819   8.7278   5.0362   15.283   6.9462   1.4626   7.3125   72.825   17.801   44.338   18.451 28.48755 25.63855 
1 1 1  -34    1   20 o  192.796   7.5341   94.081   7.2831   83.182   8.6063  121.577   13.670  174.817   9.1106  210.776   12.002 -35.95912 15.06823 
1 1 1  -34    1   21 o   54.377   22.172   3.7342   10.278   0.0000   0.0000   3.7342   10.278  ?   ?    54.377   22.172      ?      ? 
1 1 1  -34    1   23 o  191.641   12.364  100.721   12.804   0.0000   0.0000  100.721   12.804  ?   ?   191.641   12.364      ?      ? 
1 1 1  -34    1   24 o  159.726   8.0507   70.901   6.6543   73.829   8.3934   65.946   10.918  164.559   9.4390  154.893   13.045 9.666412 16.10139 
1 1 1  -34    1   25 o  146.710   7.4735   59.380   5.8246   72.365   8.2865   46.700   8.1888  162.887   9.4145  130.533   11.609 32.35318 14.94694 
1 1 1  -34    1   26 o  111.086   9.1119   34.090   5.4002   41.080   7.7603   27.526   7.5195  122.343   11.739   99.828   13.940 22.51431 18.22371 
1 1 1  -34    1   27 f  155.438   6.7089   66.041   5.6318   68.623   7.9653   63.460   7.9638  158.511   9.2994  152.365   9.6726 6.145584 13.41787 
1 1 1  -34    1   28 o  192.106   6.1064  100.733   6.3368   99.291   9.0371  102.127   8.8879  190.724   8.7687  193.488   8.5008 -2.764114 12.21282 
1 1 1  -34    1   29 o  107.087   9.2352   31.762   5.3269   34.829   7.5654   28.746   7.5016  112.332   12.464  101.843   13.631 10.48971 18.47030 
1 1 1  -34    1   30 o  258.277   5.5987  181.846   7.8112  182.624   11.202  181.110   10.898  258.788   8.0104  257.767   7.8240 1.020355 11.19744 
1 1 1  -34    1   31 o  111.575   9.3161   34.524   5.6164   34.740   7.9953   34.314   7.8914  111.908   13.222  111.241   13.128 0.6665497 18.63220 
1 1 1  -34    1   32 o  190.926   6.2064   99.751   6.4031  100.126   9.0554   99.377   9.0553  191.289   8.7605  190.563   8.7938 0.7263641 12.41281 
1 1 1  -34    1   33 o   47.244   12.769   3.6539   4.8709   8.4719   6.8711  -1.2130   6.9060   55.744   19.018   38.744   17.043 16.99991 25.53720 
1 1 1  -34    1   34 o  121.023   8.6729   40.897   5.6141   34.207   7.9072   47.696   7.9723  110.724   13.216  131.323   11.235 -20.59890 17.34573 
1 1 1  -34    1   35 o  204.972   6.0696  115.107   6.7207  118.419   9.6393  111.973   9.3752  207.841   8.5827  202.104   8.5846 5.736679 12.13913 
1 1 1  -34    1   36 o   35.859   11.616  -4.2637   5.0859  -5.4143   7.0836  -3.0395   7.3067   34.261   15.913   37.456   16.925 -3.195019 23.23165 
1 1 1  -34    1   37 o   51.080   13.204   5.5822   5.0664   10.656   7.2640   0.7756   7.0698   60.474   19.521   41.686   17.785 18.78793 26.40820 
1 1 1  -34    1   38 o   70.954   13.211   15.443   5.3516   9.7680   7.8001   20.490   7.3561   58.850   20.257   83.058   16.963 -24.20864 26.42191 
1 1 1  -34    1   39 o   41.171   12.743  -0.6821   5.4047  -2.0504   7.4199   0.8645   7.8884   38.719   17.311   43.623   18.703 -4.903629 25.48509 
1 1 1  -34    1   40 o   75.903   13.133   17.806   5.5808   24.827   7.8578   10.660   7.9277   91.446   16.509   60.361   20.429 31.08512 26.26573 
1 1 1  -34    1   41 o  166.566   7.2268   77.207   6.5046   77.051   9.2044   77.363   9.1933  166.390   10.237  166.743   10.203 -0.3531189 14.45363 
1 1 1  -34    1   42 o  146.991   7.9078   60.629   6.2717   57.249   8.9031   63.958   8.8364  142.747   11.542  151.235   10.813 -8.487961 15.81567 
1 1 1  -34    1   43 o   68.968   14.430   14.829   5.7783   16.528   8.2337   13.181   8.1112   72.604   20.232   65.331   20.580 7.272346 28.85972 
1 1 1  -34    1   44 o  140.248   8.4696   55.711   6.4143   53.250   9.0470   58.199   9.0956  137.001   12.221  143.495   11.730 -6.493896 16.93923 
1 1 1  -34    1   45 o  122.652   9.6630   43.357   6.3839   42.651   9.3524   43.973   8.7357  121.381   14.259  123.924   13.045 -2.542709 19.32598 
1 1 1  -34    1   46 o   35.909   11.846  -9.4833   5.9936 -19.0061   8.3477   0.6496   8.6110   27.971   13.928   43.847   19.165 -15.87677 23.69173 
1 1 1  -34    1   47 o   71.810   14.801   17.286   6.1339   15.188   8.7117   19.349   8.6381   67.362   21.340   76.257   20.514 -8.894875 29.60132 
1 1 1  -34    1   48 o   38.659   12.690  -5.9943   6.5334 -11.7932   9.6195  -1.0289   8.9014   35.009   16.899   42.309   18.935 -7.300152 25.37945 
1 1 1  -34    1   51 o   38.382   13.012 -12.8569   7.4842 -22.3019   9.6091   1.7088   11.933   28.796   14.430   47.969   21.657 -19.17247 26.02412 
1 1 1  -34    1   52 o   54.452   15.056   8.6074   6.6700   13.727   9.5339   3.6988   9.3350   62.023   22.308   46.881   20.226 15.14212 30.11169 
1 1 1  -34    1   53 o   42.278   13.316  -1.3789   6.5208   8.1531   9.6012  -9.5402   8.8841   51.412   21.248   33.145   16.057 18.26702 26.63269 
1 1 1  -34    2    1 o  106.457   8.1774   30.736   4.6899   32.751   6.9714   29.069   6.3387  109.614   11.770  103.300   11.356 6.313637 16.35483 
1 1 1  -34    2    2 o   61.594   12.636   10.696   4.4678   9.5713   6.4478   11.734   6.1965   58.970   18.312   64.218   17.417 -5.247738 25.27205 
1 1 1  -34    2    3 o  250.734   7.3325  170.443   9.9346   0.0000   0.0000  170.443   9.9346  ?   ?   250.734   7.3325      ?      ? 
1 1 1  -34    2    4 f   50.834   12.445   5.4435   4.4916   10.518   6.4993   0.8038   6.2145   61.313   18.257   40.355   16.919 20.95789 24.89076 
1 1 1  -34    2    5 o  203.527   5.5350  112.405   6.0829  107.347   8.5950  117.481   8.6099  198.920   7.9961  208.133   7.6554 -9.213074 11.06997 
1 1 1  -34    2    6 o  114.092   8.0161   35.524   4.9032   41.360   7.0339   30.007   6.8386  123.286   10.558  104.898   12.065 18.38792 16.03222 
1 1 1  -34    2    7 o  219.525   5.4437  130.785   6.4529  127.650   9.2280  133.785   9.0269  216.930   7.8723  222.120   7.5208 -5.190170 10.88741 
1 1 1  -34    2    8 o   89.446   9.7178   21.904   4.6910   20.854   6.6791   22.926   6.5898   87.296   14.159   91.596   13.314 -4.300568 19.43569 
1 1 1  -34    2    9 o  296.440   5.3806  238.311   8.6182  234.314   12.166  242.337   12.210  293.938   7.6597  298.942   7.5585 -5.004456 10.76111 
1 1 1  -34    2   10 o  139.664   6.8320   52.902   5.1501   55.485   7.5074   50.605   7.0782  142.873   9.7242  136.456   9.5993 6.416916 13.66409 
1 1 1  -34    2   11 o  226.453   5.4491  139.151   6.6636  133.715   9.4391  144.552   9.4086  222.024   7.8676  230.883   7.5413 -8.858780 10.89818 
1 1 1  -34    2   12 o   78.263   11.993   17.525   4.9281   15.956   7.0260   19.044   6.9142   74.637   17.691   81.889   16.199 -7.252007 23.98676 
1 1 1  -34    2   13 o  277.457   5.4236  208.807   8.1312  207.494   11.521  210.111   11.477  276.582   7.7089  278.332   7.6311 -1.749512 10.84717 
1 1 1  -34    2   14 o   58.398   13.007   8.2608   5.0278   14.924   7.2760   2.1716   6.9556   72.135   18.559   44.661   18.229 27.47331 26.01423 
1 1 1  -34    2   15 o  367.667   5.7623  366.965   11.447  364.091   16.245  369.800   16.134  366.225   8.2089  369.110   8.0890 -2.885132 11.52464 
1 1 1  -34    2   16 o  178.671   6.2322   86.721   6.0103   81.231   8.4145   92.439   8.5878  172.877   9.0075  184.465   8.6154 -11.58794 12.46439 
1 1 1  -34    2   17 o   74.785   12.420   16.064   4.9315   16.290   7.1027   15.854   6.8523   75.273   17.751   74.296   17.378 0.9768143 24.84081 
1 1 1  -34    2   18 o   85.595   15.912   20.816   7.0890   20.816   7.0890   0.0000   0.0000   85.595   15.912  ?   ?       ?      ? 
1 1 1  -34    2   19 f   91.930   12.840   23.865   6.0403   23.730   7.5865   24.099   9.9834   92.805   15.128   91.056   20.752 1.748901 25.68083 
1 1 1  -34    2   20 o   46.434   13.678  -5.0894   6.6814 -17.6441   9.2599   8.5450   9.6499   32.203   15.774   60.664   22.349 -28.46062 27.35502 
1 1 1  -34    2   21 o  190.080   12.424   99.032   12.761   0.0000   0.0000   99.032   12.761  ?   ?   190.080   12.424      ?      ? 
1 1 1  -34    2   22 o   70.735   24.125   13.464   11.057   0.0000   0.0000   13.464   11.057  ?   ?    70.735   24.125      ?      ? 
1 1 1  -34    2   23 o  140.204   10.943   53.923   8.2550   59.572   12.390   49.414   11.069  146.720   15.628  133.689   15.323 13.03166 21.88687 
1 1 1  -34    2   24 f   36.840   12.222  -8.4305   5.7451 -10.3438   7.0864  -4.7613   9.8135   30.427   14.641   43.253   19.574 -12.82590 24.44328 
1 1 1  -34    2   25 o   64.878   15.064   11.131   5.8505   9.9511   7.1797   13.462   10.093   60.072   19.410   69.683   23.043 -9.611485 30.12800 
1 1 1  -34    2   26 o   35.906   11.428  -4.3262   4.8754  -9.4495   7.0682   0.3236   6.7336   31.016   14.844   40.796   17.380 -9.780058 22.85638 
1 1 1  -34    2   27 o   77.624   12.226   17.516   4.9966   17.602   7.0963   17.431   7.0366   77.808   17.323   77.440   17.257 0.3681564 24.45179 
1 1 1  -34    2   28 o   66.680   13.090   12.761   5.0582   17.478   7.2454   8.2770   7.0649   77.365   17.713   55.994   19.279 21.37102 26.18055 
1 1 1  -34    2   29 o  202.033   5.9317  111.208   6.4657  102.815   8.9767  120.257   9.3209  194.082   8.5595  209.984   8.2145 -15.90239 11.86348 
1 1 1  -34    2   30 o   69.848   12.371   14.316   4.9956   21.593   7.0246   6.8702   7.1059   86.690   15.568   53.006   19.231 33.68372 24.74224 
1 1 1  -34    2   31 o  139.161   7.5754   53.628   5.6543   48.011   8.1869   58.751   7.8186  131.963   11.481  146.359   9.8861 -14.39548 15.15085 
1 1 1  -34    2   32 o   79.751   12.125   18.674   5.0647   18.227   7.3587   19.077   6.9814   78.644   17.739   80.858   16.536 -2.214005 24.25090 
1 1 1  -34    2   33 o  205.873   5.9659  115.731   6.6198  127.988   9.5947  104.596   9.1450  216.322   8.2081  195.423   8.6600 20.89932 11.93186 
1 1 1  -34    2   34 o   81.897   12.160   19.878   5.2029   21.644   7.1574   17.898   7.5765   86.266   15.941   77.528   18.367 8.737778 24.32030 
1 1 1  -34    2   35 o   88.478   11.280   22.729   5.2118   17.878   7.3062   27.755   7.4368   77.502   17.818   99.454   13.838 -21.95187 22.56072 
1 1 1  -34    2   36 o  105.110   9.4756   30.937   5.3734   29.529   7.3497   32.554   7.8758  102.590   13.258  107.631   13.542 -5.040710 18.95118 
1 1 1  -34    2   37 o   51.898   13.672   6.2003   5.2570   9.2435   7.4832   3.2351   7.3867   57.579   19.840   46.217   18.816 11.36153 27.34359 
1 1 1  -34    2   38 o  142.758   7.7176   56.541   5.9486   58.228   8.6272   55.011   8.2133  144.744   11.030  140.771   10.797 3.973618 15.43522 
1 1 1  -34    2   39 o  184.584   6.7149   94.171   6.6975   94.610   9.4635   93.730   9.4800  185.029   9.4651  184.139   9.5274 0.8899689 13.42981 
1 1 1  -34    2   40 o   50.779   13.967   5.7300   5.5215   6.7507   7.4841   4.5109   8.1793   52.137   19.589   49.422   19.914 2.715019 27.93357 
1 1 1  -34    2   41 o   66.610   13.877   13.714   5.3796   15.635   7.4712   11.645   7.7523   71.128   19.055   62.092   20.178 9.036255 27.75318 
1 1 1  -34    2   42 o   66.272   14.557   13.595   5.8552   16.304   8.1461   10.700   8.4218   72.165   20.129   60.379   21.034 11.78583 29.11393 
1 1 1  -34    2   43 o  128.489   9.2847   47.954   6.2737   37.433   9.1379   57.336   8.6286  113.974   14.837  143.005   11.166 -29.03128 18.56945 
1 1 1  -34    2   44 o   54.996   14.517   7.4962   6.0205   3.0684   8.3567   12.274   8.6812   46.940   19.646   63.053   21.377 -16.11346 29.03335 
1 1 1  -34    2   45 o  102.474   10.872   30.747   6.0162   31.797   8.4784   29.683   8.5383  104.412   15.027  100.535   15.717 3.877014 21.74476 
1 1 1  -34    2   46 o   62.672   14.676   12.341   6.0289   7.7912   8.6745   16.593   8.3853   54.095   20.902   71.249   20.608 -17.15451 29.35268 
1 1 1  -34    2   47 o   97.748   12.576   30.435   6.3171   18.500   8.7990   43.130   9.0748   74.267   20.993  121.229   13.853 -46.96220 25.15162 
1 1 1  -34    2   48 o   61.265   15.631   11.429   6.8042   7.3747   9.6013   15.520   9.6440   54.290   21.681   68.240   22.522 -13.95026 31.26208 
1 1 1  -34    2   51 o   99.227   15.530   32.283   7.7602   25.731   9.4194   46.126   13.691   85.850   20.574  112.605   23.270 -26.75529 31.06093 
1 1 1  -34    2   52 o   47.061   14.124   3.1676   6.5252   9.3791   9.4176  -2.5677   9.0494   54.561   21.572   39.560   18.238 15.00134 28.24853 
1 1 1  -34    2   53 o   56.510   14.978   11.072   6.6034   16.896   9.1810   4.8297   9.5047   65.990   21.984   47.031   20.349 18.95897 29.95658 
1 1 1  -34    3    1 o  176.866   5.7257   84.997   5.4408   83.660   8.1069   86.094   7.3391  175.556   8.5457  178.176   7.6227 -2.620483 11.45140 
1 1 1  -34    3    2 o  149.333   6.3238   60.143   5.0814   65.098   7.6271   56.188   6.8138  154.811   9.1174  143.856   8.7655 10.95541 12.64755 
1 1 1  -34    3    3 o  216.789   5.4572  127.563   6.3843  125.322   9.2238  129.623   8.8456  214.936   7.9417  218.642   7.4870 -3.705887 10.91447 
1 1 1  -34    3    4 o  234.422   5.3406  149.303   6.7520  141.232   9.6603  157.012   9.4411  228.184   7.8346  240.661   7.2598 -12.47705 10.68112 
1 1 1  -34    3    5 o  224.607   5.3453  136.710   6.4806  138.718   9.4133  134.900   8.9354  226.159   7.7027  223.056   7.4133 3.102753 10.69057 
1 1 1  -34    3    6 o  137.185   6.9765   51.113   5.1689   53.343   7.4404   49.033   7.1861  140.078   9.8297  134.293   9.9027 5.784683 13.95302 
1 1 1  -34    3    7 o  321.498   5.4586  280.430   9.4750  277.703   13.647  282.968   13.165  319.961   7.8932  323.036   7.5421 -3.074921 10.91728 
1 1 1  -34    3    8 o   71.911   12.051   14.573   4.6550   18.911   6.8875   10.926   6.3159   81.605   16.191   62.217   17.854 19.38858 24.10158 
1 1 1  -34    3    9 o  101.634   9.1039   28.192   4.9986   29.013   7.1552   27.409   6.9860  103.081   12.846  100.188   12.904 2.893974 18.20781 
1 1 1  -34    3   10 o  412.630   8.4419  462.133   18.823   0.0000   0.0000  462.133   18.823  ?   ?   412.630   8.4419      ?      ? 
1 1 1  -34    3   11 o  156.393   6.4548   66.425   5.4519   63.434   7.6469   69.517   7.7751  152.801   9.2613  159.985   8.9937 -7.184036 12.90957 
1 1 1  -34    3   12 o  179.492   6.0025   87.463   5.8217   87.021   8.2538   87.901   8.2127  179.037   8.5314  179.948   8.4460 -0.9117584 12.00502 
1 1 1  -34    3   13 o  273.252   5.4711  202.577   8.0763  201.404   11.534  203.704   11.312  272.462   7.8342  274.042   7.6391 -1.579254 10.94212 
1 1 1  -34    3   14 o  189.437   5.8811   97.394   6.0184   98.729   8.6390   96.136   8.3890  190.691   8.3839  188.184   8.2497 2.507080 11.76216 
1 1 1  -34    3   15 o  123.843   7.6645   41.830   5.1239   40.750   7.3520   42.849   7.1451  122.260   11.128  125.427   10.542 -3.166702 15.32905 
1 1 1  -34    3   16 o  223.687   5.5474  135.870   6.7022  133.892   9.5796  137.767   9.3802  222.073   7.9830  225.300   7.7049 -3.227295 11.09472 
1 1 1  -34    3   17 o   44.342   12.676   2.3318   4.7570   0.4568   6.8417   4.0866   6.6187   41.540   17.601   47.143   18.246 -5.602642 25.35177 
1 1 1  -34    3   18 o   97.389   11.541   25.302   5.8040   21.320   7.2583   32.365   9.6658   86.576   16.108  108.203   16.531 -21.62732 23.08135 
1 1 1  -34    3   19 o  141.056   8.9070   55.604   6.5406   59.157   8.3739   50.045   10.474  147.247   10.524  134.866   14.373 12.38120 17.81402 
1 1 1  -34    3   20 o  160.783   9.0785   70.469   7.8507   61.667   10.687   80.788   11.571  149.875   13.196  171.691   12.472 -21.81517 18.15704 
1 1 1  -34    3   21 o  185.383   8.8178   94.190   8.8311   97.027   12.615   91.464   12.367  188.132   12.409  182.634   12.531 5.498795 17.63557 
1 1 1  -34    3   22 o  325.068   8.4332  289.782   14.789  271.171   20.932  308.333   20.898  314.486   12.317  335.650   11.522 -21.16348 16.86643 
1 1 1  -34    3   23 o  183.835   8.9868   93.181   8.8884   86.374   12.844   99.437   12.313  177.197   13.414  190.473   11.963 -13.27583 17.97367 
1 1 1  -34    3   24 o  139.112   9.6439   49.652   6.8560   64.887   12.373   42.902   8.2358  153.185   14.948  125.040   12.189 28.14442 19.28783 
1 1 1  -34    3   25 o   73.524   14.746   15.410   5.9896   14.262   7.5830   17.315   9.7668   70.084   19.375   76.963   22.236 -6.879135 29.49262 
1 1 1  -34    3   26 o  146.136   8.5675   58.850   6.5754   59.259   8.3883   58.198   10.590  147.105   10.553  145.167   13.500 1.938705 17.13504 
1 1 1  -34    3   27 o   53.183   12.891   6.2236   5.0399  -0.7899   7.3523   12.441   6.9222   40.884   17.793   65.482   18.659 -24.59866 25.78272 
1 1 1  -34    3   28 o   84.824   11.416   21.017   5.1030   34.293   7.4523   9.2967   7.0023  111.500   12.369   58.147   19.191 53.35358 22.83148 
1 1 1  -34    3   29 o   59.681   13.280   9.7754   5.0577   4.9542   7.2988   14.229   7.0151   49.699   19.181   69.663   18.372 -19.96406 26.56037 
1 1 1  -34    3   30 o   70.197   13.339   14.499   5.2702   10.814   7.4900   18.112   7.4169   61.806   19.809   78.588   17.869 -16.78258 26.67831 
1 1 1  -34    3   31 o   70.793   13.375   14.747   5.2882   18.137   7.5533   11.488   7.4060   78.449   18.174   63.137   19.629 15.31200 26.75098 
1 1 1  -34    3   32 o   58.139   13.446   8.9021   5.2102   3.6021   7.3958   14.124   7.3413   47.260   18.974   69.018   19.057 -21.75851 26.89200 
1 1 1  -34    3   33 o  111.102   9.0512   34.441   5.4101   38.146   7.6637   30.761   7.6384  117.247   12.096  104.957   13.468 12.28958 18.10249 
1 1 1  -34    3   34 o  107.375   9.5485   33.148   5.3618   25.135   7.8578   40.129   7.3347   94.332   15.415  120.417   11.272 -26.08487 19.09695 
1 1 1  -34    3   35 o  152.501   7.2467   64.157   5.9576   70.296   8.5553   58.378   8.3012  159.682   9.9150  145.320   10.571 14.36234 14.49341 
1 1 1  -34    3   36 o  128.348   8.0743   45.753   5.5972   47.016   8.0713   44.583   7.7687  130.032   11.487  126.665   11.350 3.367485 16.14865 
1 1 1  -34    3   37 f  133.705   8.1360   49.727   5.8692   46.131   8.2085   53.488   8.3952  128.659   11.807  138.752   11.197 -10.09329 16.27203 
1 1 1  -34    3   38 o  178.067   6.8642   87.201   6.5759   99.461   9.6327   76.501   8.9990  189.861   9.3891  166.273   10.016 23.58846 13.72846 
1 1 1  -34    3   39 o  121.426   9.0954   41.579   5.9587   39.025   8.4265   44.135   8.4273  117.532   13.268  125.320   12.445 -7.787621 18.19086 
1 1 1  -34    3   40 o  162.705   7.1654   73.459   6.2740   82.758   9.0507   64.857   8.7048  172.796   9.6930  152.613   10.556 20.18225 14.33089 
1 1 1  -34    3   41 f  167.641   7.2491   77.842   6.5483   72.014   8.8761   84.802   9.7000  160.812   10.214  174.469   10.289 -13.65657 14.49811 
1 1 1  -34    3   42 o  161.467   7.3531   72.735   6.4017   66.799   8.9841   78.858   9.1244  154.596   10.754  168.337   10.031 -13.74057 14.70629 
1 1 1  -34    3   43 o   78.730   13.161   19.248   5.6246   25.133   8.0216   13.556   7.8888   91.415   16.860   66.045   20.214 25.36995 26.32200 
1 1 1  -34    3   44 o  110.565   10.397   35.733   6.1576   38.406   8.4216   32.662   9.0263  115.654   13.475  105.476   15.837 10.17758 20.79398 
1 1 1  -34    3   45 o   73.551   14.342   17.027   6.0580   11.771   8.2777   23.089   8.8897   61.718   20.875   85.384   19.672 -23.66584 28.68355 
1 1 1  -34    3   46 o   51.124   14.390   6.1508   5.9792   7.8066   8.6623   4.6438   8.2636   53.899   20.870   48.349   19.817 5.550137 28.77960 
1 1 1  -34    3   47 o   38.922   17.836  -3.2230   8.4789  -3.2230   8.4789   0.0000   0.0000   38.922   17.836  ?   ?       ?      ? 
1 1 1  -34    3   48 o   43.616   20.575  -8.4189   12.637   0.0000   0.0000  -8.4189   12.637  ?   ?    43.616   20.575      ?      ? 
1 1 1  -34    3   51 o   45.820   14.039   0.7126   6.8858   8.8781   9.7250  -7.4970   9.7512   54.427   21.791   37.213   17.707 17.21413 28.07764 
1 1 1  -34    3   52 o   67.022   13.795   13.911   6.7563  -0.8193   9.3884   29.734   9.7304   41.591   18.948   92.453   20.054 -50.86177 27.58959 
1 1 1  -34    4    1 o  190.671   7.6708   98.598   7.9034   0.0000   0.0000   98.598   7.9034  ?   ?   190.671   7.6708      ?      ? 
1 1 1  -34    4    2 o   70.307   11.340   14.558   4.4815   6.9898   6.6600   20.820   6.0583   53.291   18.697   87.323   12.839 -34.03164 22.68092 
1 1 1  -34    4    3 o  243.305   5.3216  160.839   6.9818  153.730   10.055  167.458   9.7021  238.068   7.8160  248.541   7.2240 -10.47371 10.64313 
1 1 1  -34    4    4 o  136.490   9.7652   50.642   7.2023   50.642   7.2023   0.0000   0.0000  136.490   9.7652  ?   ?       ?      ? 
1 1 1  -34    4    5 o  121.180   7.5675   40.157   4.9164   38.242   7.3250   41.727   6.6322  118.475   11.442  123.885   9.9071 -5.410370 15.13498 
1 1 1  -34    4    6 o   45.435   12.484   3.4522   4.4231   5.0993   6.4320   1.9744   6.0923   48.865   18.199   42.005   17.093 6.859673 24.96713 
1 1 1  -34    4    7 o  119.236   7.7836   38.755   5.0038   37.993   7.2828   39.437   6.8868  118.090   11.413  120.382   10.587 -2.292068 15.56717 
1 1 1  -34    4    8 o  144.488   6.8181   56.393   5.3055   61.211   7.9064   52.446   7.1558  150.058   9.7506  138.917   9.5327 11.14053 13.63618 
1 1 1  -34    4    9 o  206.411   5.6272  115.338   6.2661  119.754   9.1847  111.493   8.5704  210.085   8.0906  202.737   7.8232 7.347778 11.25434 
1 1 1  -34    4   10 o   59.456   13.079   9.5866   4.7760   6.4420   6.8178   12.617   6.6924   52.378   18.862   66.534   18.123 -14.15588 26.15745 
1 1 1  -34    4   11 o  123.660   7.6107   42.034   5.0361   37.157   7.3442   46.363   6.9189  116.743   11.642  130.576   9.8059 -13.83276 15.22137 
1 1 1  -34    4   12 o  226.320   5.5073  138.799   6.7300  143.055   9.7537  134.932   9.2980  229.618   7.8610  223.021   7.7153 6.596619 11.01457 
1 1 1  -34    4   13 o  128.777   7.6370   45.238   5.3064   43.594   7.6224   46.785   7.3916  126.468   11.154  131.086   10.435 -4.617882 15.27409 
1 1 1  -34    4   14 o  173.930   6.3193   82.590   5.9106   76.822   8.5866   87.785   8.1483  168.071   9.4546  179.788   8.3872 -11.71764 12.63859 
1 1 1  -34    4   15 o  158.473   6.6151   68.426   5.6474   62.128   7.9703   74.776   8.0030  151.091   9.7622  165.855   8.9297 -14.76453 13.23026 
1 1 1  -34    4   16 o  153.197   6.7258   63.706   5.5591   66.787   8.1453   61.019   7.6058  156.643   9.6229  149.751   9.3992 6.892624 13.45157 
1 1 1  -34    4   17 o  147.682   10.469   59.471   8.3542   59.471   8.3542   0.0000   0.0000  147.682   10.469  ?   ?       ?      ? 
1 1 1  -34    4   18 o  201.963   7.3298  108.056   7.6827  100.502   9.4738  122.568   13.130  192.162   9.1236  211.763   11.474 -19.60097 14.65951 
1 1 1  -34    4   19 o  242.702   7.6713  160.869   10.061  161.216   14.190  160.518   14.265  242.975   10.808  242.428   10.890 0.5462189 15.34264 
1 1 1  -34    4   20 o  140.219   9.8649   54.088   7.4736   53.514   10.468   54.685   10.674  139.471   13.889  140.966   14.013 -1.495468 19.72981 
1 1 1  -34    4   21 o   81.821   14.101   17.818   6.0243   26.712   10.322   13.223   7.4191   95.807   20.553   67.834   19.312 27.97298 28.20295 
1 1 1  -34    4   22 o   96.375   15.807   27.080   8.0491   30.203   12.031   24.550   10.830  101.375   22.546   91.376   22.161 9.998314 31.61352 
1 1 1  -34    4   23 o  203.355   8.8181  113.484   9.6820  114.459   14.003  112.590   13.401  204.134   12.695  202.576   12.242 1.557816 17.63625 
1 1 1  -34    4   24 o   95.526   16.054   26.967   8.1497   27.365   11.961   26.622   11.134   96.043   23.287   95.010   22.103 1.033524 32.10714 
1 1 1  -34    4   25 o  168.903   8.8071   80.976   7.2395   72.477   13.172   84.655   8.6659  161.649   15.079  176.158   9.1038 -14.50865 17.61418 
1 1 1  -34    4   26 o  148.046   8.6569   58.496   6.7173   53.272   8.3808   67.883   11.233  139.324   11.132  156.767   13.261 -17.44237 17.31379 
1 1 1  -34    4   27 o   88.605   13.784   21.640   6.0945   18.817   7.3610   27.793   10.867   80.394   17.446   96.817   21.347 -16.42327 27.56862 
1 1 1  -34    4   28 o   50.193   13.277   5.0174   5.1012   8.9148   7.0585   0.7562   7.3806   57.333   19.277   43.053   18.264 14.28038 26.55495 
1 1 1  -34    4   29 o   60.925   11.885   7.8787   5.2446   21.258   7.6007  -4.2811   7.2461   85.562   17.038   36.288   16.576 49.27473 23.77096 
1 1 1  -34    4   30 o  138.908   7.7688   53.014   5.7964   61.203   8.3928   45.545   8.0150  149.280   10.404  128.537   11.540 20.74347 15.53751 
1 1 1  -34    4   31 o  132.551   7.9801   48.876   5.6647   43.112   8.2071   54.121   7.8285  124.800   12.170  140.301   10.326 -15.50095 15.96029 
1 1 1  -34    4   32 f   83.677   12.167   20.658   5.4158   13.922   7.6599   27.391   7.6583   68.476   19.665   98.878   14.333 -30.40258 24.33447 
1 1 1  -34    4   33 o  107.691   9.3292   32.312   5.3895   37.687   7.8013   27.405   7.4544  116.447   12.398   98.934   13.944 17.51315 18.65844 
1 1 1  -34    4   34 o   54.963   13.456   7.8178   5.0132   4.6103   7.0103   11.175   7.1721   48.030   18.725   61.895   19.329 -13.86489 26.91157 
1 1 1  -34    4   35 o  119.310   8.5386   39.721   5.4869   43.507   7.7846   35.983   7.7348  125.134   11.513  113.486   12.613 11.64764 17.07722 
1 1 1  -34    4   36 o   91.260   11.038   24.109   5.2895   21.055   7.4545   27.207   7.5068   84.337   16.945   98.184   14.149 -13.84698 22.07582 
1 1 1  -34    4   37 f  165.293   6.9833   75.283   6.2194   83.672   9.0208   67.683   8.5864  174.153   9.5858  156.433   10.158 17.71953 13.96661 
1 1 1  -34    4   38 o  226.991   6.0175  141.669   7.3760  148.884   10.525  134.705   10.340  232.735   8.3688  221.247   8.6489 11.48773 12.03501 
1 1 1  -34    4   39 o   74.852   13.387   17.214   5.6203   23.392   7.9698   11.103   7.9271   88.376   17.308   61.328   20.427 27.04847 26.77406 
1 1 1  -34    4   40 o  218.685   6.3693  132.172   7.5201  132.543   10.431  131.771   10.852  219.110   8.8099  218.260   9.2010 0.8500519 12.73863 
1 1 1  -34    4   41 o   88.248   12.884   23.860   5.9299   25.237   8.1532   22.315   8.6401   91.593   17.102   84.902   19.273 6.690964 25.76718 
1 1 1  -34    4   42 o   96.950   11.339   27.615   5.8138   29.189   8.3112   26.108   8.1355  100.501   15.304   93.398   16.734 7.103073 22.67716 
1 1 1  -34    4   43 o   38.806   12.073  -5.5984   5.6294 -16.9562   8.1091   4.9670   7.8211   28.564   14.137   49.049   19.575 -20.48488 24.14611 
1 1 1  -34    4   44 o  153.128   7.8985   66.493   6.4928   61.264   9.4676   71.136   8.9213  146.966   11.922  159.291   10.365 -12.32498 15.79709 
1 1 1  -34    4   45 o  132.458   9.2886   50.346   6.6413   47.268   9.2634   53.601   9.5265  128.151   13.377  136.766   12.890 -8.614822 18.57712 
1 1 1  -34    4   46 o   78.404   14.867   20.551   6.4274   20.082   9.3519   20.970   8.8483   77.162   21.583   79.647   20.453 -2.484421 29.73496 
1 1 1  -34    4   47 o   46.387   13.945   1.0487   6.3980   7.9570   9.4040  -4.9046   8.7298   54.764   21.587   38.010   17.658 16.75387 27.88955 
1 1 1  -34    4   48 o  354.541   12.785  148.712   15.148  930.631   51.197   73.694   15.858  554.903   17.074  154.178   19.034 400.7249 25.57002 
1 1 1  -34    4   50 o   93.770   26.518   36.734   14.036   0.0000   0.0000   36.734   14.036  ?   ?    93.770   26.518      ?      ? 
1 1 1  -34    4   51 o   51.540   13.858   3.4476   6.7093   16.807   9.2569 -11.3370   9.7383   68.370   22.034   34.710   16.815 33.66013 27.71668 
1 1 1  -34    4   52 o   50.577   14.911   6.4604   6.8989   2.2500   9.4480   11.270   10.097   44.491   19.735   56.663   22.359 -12.17239 29.82225 
1 1 1  -34    5    1 o   81.883   10.958   19.818   4.6095   12.646   6.8601   25.722   6.2240   66.646   18.430   97.120   11.860 -30.47394 21.91615 
1 1 1  -34    5    2 o  303.709   5.4055  250.787   8.8474  238.881   12.787  261.720   12.254  296.726   7.9750  310.692   7.2990 -13.96573 10.81096 
1 1 1  -34    5    3 o  121.187   7.6506   40.336   4.9518   37.233   7.4173   42.830   6.6510  116.864   11.746  125.511   9.8065 -8.646446 15.30127 
1 1 1  -34    5    4 o  205.947   5.6541  114.751   6.2524  117.882   9.4410  112.304   8.3447  208.400   8.3836  203.495   7.5887 4.905914 11.30815 
1 1 1  -34    5    5 o  147.159   6.7590   59.582   5.3052   52.688   7.8543   65.367   7.1945  139.149   10.446  155.169   8.5804 -16.01944 13.51799 
1 1 1  -34    5    6 o  250.353   5.3544  169.745   7.2185  172.723   10.702  167.258   9.7779  252.330   7.8486  248.376   7.2853 3.954254 10.70874 
1 1 1  -34    5    7 o  319.280   5.4753  276.714   9.4392  269.533   13.498  283.587   13.205  315.194   7.9250  323.367   7.5571 -8.173279 10.95058 
1 1 1  -34    5    8 o  209.210   5.6946  118.977   6.4013  116.704   9.5253  120.849   8.6442  207.333   8.5020  211.087   7.5783 -3.753983 11.38929 
1 1 1  -34    5    9 o  124.218   7.7278   41.903   5.1582   43.156   7.7616   40.911   6.9033  125.831   11.415  122.604   10.420 3.227547 15.45558 
1 1 1  -34    5   10 o  179.892   6.0583   88.379   5.8548   80.875   8.4966   95.162   8.0789  172.521   9.1141  187.263   7.9839 -14.74242 12.11651 
1 1 1  -34    5   11 o  125.564   7.5738   43.058   5.1233   39.644   7.3000   46.371   7.1920  120.599   11.202  130.529   10.197 -9.930359 15.14766 
1 1 1  -34    5   12 o  175.449   6.2664   83.877   5.9230   79.593   8.5706   87.793   8.1947  171.102   9.2698  179.796   8.4346 -8.693695 12.53279 
1 1 1  -34    5   13 o  157.059   6.6359   67.095   5.6248   66.973   8.1568   67.205   7.7669  156.897   9.6209  157.222   9.1421 -0.3246460 13.27179 
1 1 1  -34    5   14 o   46.313   13.039   3.2046   4.8961   3.7029   7.0723   2.7460   6.7850   47.504   18.722   45.121   18.153 2.383076 26.07779 
1 1 1  -34    5   15 o  123.379   8.5795   43.732   5.4155   29.657   8.0181   55.540   7.3437  103.908   14.280  142.849   9.5137 -38.94037 17.15904 
1 1 1  -34    5   16 o  136.537   7.6085   50.249   5.5731   59.462   8.3777   42.936   7.4642  147.659   10.500  125.414   11.014 22.24539 15.21698 
1 1 1  -34    5   17 o  135.936   9.5076   51.081   6.8120   52.445   8.7900   49.032   10.778  138.477   11.747  133.395   14.953 5.081757 19.01530 
1 1 1  -34    5   18 o  203.291   7.9122  112.976   8.6889  111.239   12.381  114.662   12.197  201.715   11.358  204.866   11.018 -3.151321 15.82435 
1 1 1  -34    5   19 o  158.818   9.4995   69.308   8.1520   68.378   11.497   70.248   11.560  157.736   13.489  159.900   13.380 -2.163391 18.99896 
1 1 1  -34    5   20 f   59.335   14.240   9.3048   5.6505   4.3131   9.1322   12.401   7.1926   52.825   21.128   65.845   19.098 -13.02025 28.48040 
1 1 1  -34    5   21 o   26.540   9.2951 -15.7441   4.9035 -15.3876   7.4078 -16.0221   6.5419   28.079   13.824   25.000   12.429 3.078604 18.59024 
1 1 1  -34    5   22 f   79.093   17.044   17.562   8.0125   23.086   12.071   13.212   10.713   88.327   24.456   69.860   23.747 18.46669 34.08833 
1 1 1  -34    5   23 o   58.471   16.304   5.7839   7.6055   8.9347   11.356   3.2207   10.242   63.526   24.070   53.416   21.997 10.10997 32.60744 
1 1 1  -34    5   24 o   52.339   13.697   5.9023   5.2753   2.7870   7.5291   8.9065   7.3936   46.725   19.006   57.953   19.728 -11.22798 27.39401 
1 1 1  -34    5   25 o  118.009   11.120   33.894   6.5471   53.041   12.596   26.807   7.6637  137.676   16.931   98.342   14.422 39.33405 22.24024 
1 1 1  -34    5   26 o   59.777   14.129   1.0822   6.1333   22.426   11.307  -7.8167   7.3007   86.488   23.556   33.065   15.610 53.42258 28.25862 
1 1 1  -34    5   27 o  149.778   9.2722   64.230   7.0172   69.162   8.7334   55.248   11.787  158.867   10.173  140.690   15.505 18.17705 18.54448 
1 1 1  -34    5   28 o  153.850   8.8231   67.870   6.9485   75.079   8.8468   56.261   11.226  165.547   9.8896  142.153   14.614 23.39330 17.64611 
1 1 1  -34    5   29 o   48.649   12.454   1.2434   5.1874   12.471   7.6096  -8.5035   7.0900   65.557   19.808   31.741   15.101 33.81651 24.90781 
1 1 1  -34    5   30 o  173.811   6.5533   82.796   6.1471   77.869   8.6796   87.754   8.7070  168.551   9.5297  179.070   8.9983 -10.51802 13.10663 
1 1 1  -34    5   31 o  119.202   8.7895   39.861   5.5939   34.677   8.1645   44.448   7.6798  111.521   13.548  126.883   11.201 -15.36190 17.57894 
1 1 1  -34    5   32 o  225.333   6.0021  138.538   7.2933  146.347   10.744  131.864   9.9322  231.163   8.6012  219.503   8.3737 11.65921 12.00417 
1 1 1  -34    5   33 o   83.531   11.847   20.055   5.2433   15.439   7.1341   25.477   7.7322   71.985   18.300   95.076   15.050 -23.09071 23.69412 
1 1 1  -34    5   34 o   56.584   11.702   5.2529   5.1853  -7.7784   7.1924   19.357   7.4826   32.453   15.373   80.714   17.648 -48.26114 23.40456 
1 1 1  -34    5   35 o  169.005   6.8322   78.138   6.2065   90.318   9.2031   67.977   8.4056  181.080   9.4054  156.930   9.9123 24.15051 13.66439 
1 1 1  -34    5   36 o  122.382   9.1398   42.173   5.8777   55.156   8.5442   30.510   8.0984  140.899   11.222  103.865   14.429 37.03454 18.27954 
1 1 1  -34    5   37 o   54.183   13.693   6.5112   5.5571   13.025   7.9009   0.1339   7.8176   65.776   20.245   42.589   18.442 23.18702 27.38556 
1 1 1  -34    5   38 o  190.103   6.5380   99.717   6.7130  101.641   9.6753   97.931   9.3218  191.831   9.3338  188.374   9.1577 3.456848 13.07609 
1 1 1  -34    5   39 f   59.268   14.297   10.057   5.6021   12.827   7.8382   7.1645   8.0097   64.906   20.196   53.630   20.241 11.27559 28.59301 
1 1 1  -34    5   40 o  100.293   11.228   29.163   6.0810   27.892   8.5624   30.458   8.6379   97.958   16.176  102.628   15.576 -4.670570 22.45594 
1 1 1  -34    5   41 o   65.246   14.695   13.048   5.8532   11.392   8.0982   14.859   8.4695   61.583   20.648   68.908   20.914 -7.324467 29.38967 
1 1 1  -34    5   42 o  160.506   7.4290   71.924   6.4428   70.945   9.1184   72.900   9.1045  159.375   10.588  161.637   10.424 -2.262375 14.85798 
1 1 1  -34    5   43 o   73.856   13.909   17.295   5.7583   13.267   8.1766   21.258   8.1108   65.036   20.682   82.676   18.605 -17.64025 27.81862 
1 1 1  -34    5   44 o  132.744   8.8289   50.199   6.3275   53.040   9.0372   47.467   8.8623  136.558   12.247  128.930   12.721 7.627686 17.65788 
1 1 1  -34    5   45 o   76.884   14.500   19.184   6.1666   21.947   8.8784   16.608   8.5715   82.457   20.107   71.312   20.896 11.14503 28.99912 
1 1 1  -34    5   46 f  131.339   9.6966   50.857   6.7528   40.022   9.4681   62.075   9.6339  115.895   15.119  146.782   12.146 -30.88744 19.39328 
1 1 1  -34    5   47 o   34.493   16.808 -14.6091   10.125 -14.6091   10.125   0.0000   0.0000   34.493   16.808  ?   ?       ?      ? 
1 1 1  -34    5   50 o   80.290   16.820   25.872   9.6904   6.2117   14.363   42.297   13.128   54.037   24.128  106.542   23.440 -52.50524 33.63918 
1 1 1  -34    5   51 o   62.163   13.818   10.332   6.7229   25.475   9.5317  -4.6590   9.4838   85.484   20.827   38.843   18.165 46.64081 27.63507 
1 1 1  -34    5   52 f   52.118   13.881   3.4987   6.5899  -9.8756   8.8658   20.010   9.8509   32.936   15.976   71.301   22.704 -38.36524 27.76126 
1 1 1  -34    6    1 o  311.639   7.3226  263.392   12.331   0.0000   0.0000  263.392   12.331  ?   ?   311.639   7.3226      ?      ? 
1 1 1  -34    6    2 o  151.219   6.5471   62.504   5.2924   59.521   7.9855   64.840   7.0675  147.910   9.9912  154.528   8.4638 -6.618378 13.09429 
1 1 1  -34    6    3 o  234.087   5.3774  148.788   6.7461  147.516   10.192  149.779   8.9997  233.135   8.0903  235.039   7.0860 -1.904449 10.75472 
1 1 1  -34    6    4 o   53.199   13.163   7.0002   4.7147   5.0578   7.1331   8.5070   6.2827   50.206   19.064   56.193   18.157 -5.986771 26.32670 
1 1 1  -34    6    5 o  143.126   7.0359   55.703   5.4118   55.963   8.0957   55.493   7.2765  143.378   10.449  142.874   9.4249 0.5039673 14.07181 
1 1 1  -34    6    6 o   53.509   13.060   6.7839   4.6696   10.038   6.9591   4.1189   6.2979   60.475   19.064   46.543   17.855 13.93196 26.11994 
1 1 1  -34    6    7 o  262.012   7.3687  186.190   10.433   0.0000   0.0000  186.190   10.433  ?   ?   262.012   7.3687      ?      ? 
1 1 1  -34    6    8 o  252.422   5.5319  172.861   7.5053  173.320   11.214  172.489   10.101  252.669   8.2134  252.175   7.4127 0.4940338 11.06381 
1 1 1  -34    6    9 o  318.332   5.5381  273.816   9.4829  287.001   14.229  263.282   12.719  325.147   8.0988  311.517   7.5558 13.62949 11.07614 
1 1 1  -34    6   10 o   86.642   11.004   20.760   4.9912   26.201   7.4535   16.337   6.7205   97.756   14.110   75.529   16.890 22.22707 22.00835 
1 1 1  -34    6   11 o  142.872   7.0166   55.246   5.3943   58.953   8.0899   52.277   7.2384  147.136   10.175  138.608   9.6642 8.527588 14.03310 
1 1 1  -34    6   12 o   93.035   10.930   25.757   5.0661   16.623   7.5872   33.106   6.8055   75.940   18.630  110.130   11.436 -34.18987 21.85993 
1 1 1  -34    6   13 o  179.130   6.2419   87.505   6.0222   82.877   8.7225   91.721   8.3246  174.535   9.2485  183.725   8.3851 -9.190125 12.48380 
1 1 1  -34    6   14 o  188.667   6.1581   96.895   6.2588   95.323   9.1777   98.262   8.5575  187.183   9.0736  190.150   8.3284 -2.967117 12.31630 
1 1 1  -34    6   15 o  142.740   7.3329   55.057   5.6294   62.447   8.4216   49.088   7.5690  151.329   10.299  134.152   10.441 17.17645 14.66571 
1 1 1  -34    6   16 o   69.769   14.814   13.181   5.9775   10.259   7.6641   17.718   9.5511   61.414   20.068   78.124   21.798 -16.71090 29.62881 
1 1 1  -34    6   17 o   52.502   14.605   2.1630   6.4744   10.559   9.8541  -4.2140   8.5882   64.414   22.731   40.589   18.345 23.82428 29.20983 
1 1 1  -34    6   18 o  125.311   10.490   43.280   7.0513   50.495   10.196   36.667   9.7621  135.466   13.929  115.156   15.688 20.30997 20.97946 
1 1 1  -34    6   19 o  289.513   6.7008  224.345   9.8695  240.540   17.410  216.677   11.980  296.681   10.860  282.345   7.8524 14.33640 13.40157 
1 1 1  -34    6   20 o  103.199   10.306   30.684   5.4011   23.222   7.9542   37.068   7.3574   90.060   16.967  116.339   11.703 -26.27879 20.61195 
1 1 1  -34    6   21 o  123.359   10.696   39.486   6.3638   47.995   12.649   36.602   7.3636  131.150   17.848  115.568   11.791 15.58145 21.39144 
1 1 1  -34    6   22 o   90.775   16.807   24.239   8.2644   26.104   12.738   22.883   10.861   93.559   24.796   87.990   22.694 5.568314 33.61327 
1 1 1  -34    6   23 o  124.748   12.565   42.702   8.3282   48.266   13.310   39.122   10.677  131.035   18.797  118.461   16.679 12.57330 25.13013 
1 1 1  -34    6   24 o  126.484   8.3905   43.589   5.7003   50.888   8.4778   37.567   7.7009  136.124   11.526  116.844   12.197 19.28001 16.78097 
1 1 1  -34    6   25 o  102.787   10.036   29.514   5.5292   25.996   7.9613   32.793   7.6850   96.622   15.248  108.953   13.053 -12.33102 20.07228 
1 1 1  -34    6   26 o  120.415   11.245   37.382   6.5445   47.860   13.079   33.882   7.5588  130.047   18.612  110.782   12.627 19.26468 22.49091 
1 1 1  -34    6   27 f  233.117   7.6974  144.190   8.7311  161.171   16.823  137.929   10.215  241.413   12.896  224.821   8.4080 16.59204 15.39478 
1 1 1  -34    6   28 o  149.621   9.8418   66.144   7.3824   76.920   9.4102   48.896   11.905  167.400   10.403  131.842   16.710 35.55817 19.68370 
1 1 1  -34    6   29 o  276.634   5.8730  209.150   8.7698  204.884   12.618  213.136   12.198  273.824   8.5274  279.445   8.0778 -5.621155 11.74597 
1 1 1  -34    6   30 o   58.827   13.650   9.3002   5.3451   4.0073   7.7735   14.047   7.3616   48.770   19.497   68.884   19.108 -20.11340 27.29932 
1 1 1  -34    6   31 o   47.994   13.389   4.2205   5.1287   3.3692   7.1923   5.1013   7.3154   46.352   18.675   49.636   19.190 -3.284397 26.77728 
1 1 1  -34    6   32 o   95.965   11.108   26.594   5.5581   22.324   7.9155   30.747   7.8062   87.107   17.425  104.823   13.782 -17.71573 22.21632 
1 1 1  -34    6   33 o   48.813   13.105   4.5132   4.9748   8.7019   7.1916   0.6694   6.8891   56.409   19.449   41.218   17.570 15.19014 26.21032 
1 1 1  -34    6   34 o  112.746   10.471   38.257   5.7116   22.476   8.1876   53.215   7.9715   86.836   18.039  138.657   10.639 -51.82155 20.94231 
1 1 1  -34    6   35 o  101.347   10.333   29.339   5.5990   26.045   8.1847   32.236   7.6760   95.543   15.853  107.151   13.257 -11.60786 20.66585 
1 1 1  -34    6   36 o   67.246   13.675   13.529   5.3179   16.819   7.6361   10.430   7.4104   74.503   18.929   59.988   19.740 14.51412 27.34906 
1 1 1  -34    6   37 o   62.215   13.080   10.315   5.5982   0.3460   7.9829   19.962   7.8529   43.188   18.668   81.241   18.325 -38.05265 26.15900 
1 1 1  -34    6   38 o   40.179   12.492  -2.8537   5.4987  -8.4114   7.5272   3.5060   8.0519   32.677   15.551   47.681   19.554 -15.00373 24.98391 
1 1 1  -34    6   39 o  125.091   8.8260   44.160   5.9606   45.346   8.3376   42.920   8.5246  126.947   12.154  123.236   12.801 3.710167 17.65209 
1 1 1  -34    6   40 o   50.907   13.638   4.4479   5.7670   11.830   8.0966  -3.1537   8.2162   62.512   20.636   39.302   17.836 23.20988 27.27580 
1 1 1  -34    6   41 o   59.351   14.512   10.244   5.7534   12.519   7.9142   7.6938   8.3788   63.928   20.349   54.773   20.694 9.155056 29.02322 
1 1 1  -34    6   42 o   94.444   11.591   26.382   5.7845   24.352   7.9929   28.614   8.3821   89.735   17.108   99.153   15.644 -9.418259 23.18267 
1 1 1  -34    6   43 o   90.179   12.692   25.026   6.0449   19.180   8.5199   30.952   8.5778   77.514   20.153  102.844   15.435 -25.33010 25.38494 
1 1 1  -34    6   44 o   55.727   14.009   6.6047   6.1061   16.397   8.8264  -2.3827   8.4561   71.163   21.295   40.291   18.207 30.87155 28.01740 
1 1 1  -34    6   45 o  174.054   7.6610   85.964   7.2053   85.767   10.201   86.161   10.179  173.835   10.860  174.273   10.809 -0.4377136 15.32195 
1 1 1  -34    6   46 o   43.394   13.525   0.2263   6.2110   2.0618   8.7942  -1.6006   8.7733   45.522   19.636   41.265   18.606 4.257481 27.05048 
1 1 1  -34    6   48 f   53.622   24.381   0.0142   15.449   0.0000   0.0000   0.0142   15.449  ?   ?    53.622   24.381      ?      ? 
1 1 1  -34    6   49 o   82.487   27.515   29.842   14.380   0.0000   0.0000   29.842   14.380  ?   ?    82.487   27.515      ?      ? 
1 1 1  -34    6   50 o   49.649   16.154  -0.2137   9.9211   1.0523   14.793  -1.2486   13.375   51.360   23.544   47.938   22.125 3.421642 32.30858 
1 1 1  -34    6   51 o   93.745   14.417   30.727   7.0973   32.896   10.163   28.663   9.9163   97.566   19.949   89.924   20.818 7.641174 28.83338 
1 1 1  -34    7    1 o   67.207   12.459   12.694   4.5674   15.307   6.9606   10.718   6.0527   72.962   17.810   61.452   17.426 11.51028 24.91717 
1 1 1  -34    7    2 o  347.528   5.7093  328.270   10.707  309.092   15.163  347.342   15.121  337.342   8.3182  357.715   7.8226 -20.37259 11.41867 
1 1 1  -34    7    3 o   41.588   12.201   0.9597   4.6271  -2.4477   7.0350   3.5576   6.1428   38.149   16.970   45.028   17.536 -6.878391 24.40277 
1 1 1  -34    7    4 o  276.724   5.4443  207.548   8.1050  210.685   12.082  204.982   10.929  278.568   8.0264  274.879   7.3579 3.689423 10.88857 
1 1 1  -34    7    5 o  125.625   7.5554   43.311   5.0806   40.362   7.5648   45.735   6.8574  121.615   11.511  129.635   9.7892 -8.020271 15.11077 
1 1 1  -34    7    6 o  271.931   5.5146  200.110   8.0620  206.514   12.105  195.005   10.807  275.776   8.1233  268.086   7.4603 7.689209 11.02928 
1 1 1  -34    7    7 o  233.818   5.5677  147.933   6.9899  152.572   10.564  144.321   9.3221  237.014   8.2487  230.622   7.4804 6.391632 11.13542 
1 1 1  -34    7    8 f  136.437   7.2373   50.315   5.3102   54.694   8.0028   46.870   7.0979  141.676   10.453  131.197   10.012 10.47955 14.47456 
1 1 1  -34    7    9 o  104.949   9.2519   31.156   5.0505   25.545   7.8366   35.143   6.6051   96.371   15.049  113.526   10.767 -17.15569 18.50371 
1 1 1  -34    7   10 o  235.612   5.6724  150.609   7.1929  152.552   10.691  149.002   9.7223  236.947   8.3500  234.276   7.6799 2.671295 11.34474 
1 1 1  -34    7   11 o  172.988   6.4612   81.417   6.0214   81.393   8.8656   81.438   8.2039  172.918   9.4881  173.059   8.7728 -0.1414032 12.92233 
1 1 1  -34    7   12 o  252.286   5.6249  173.185   7.6493  168.194   11.120  177.669   10.539  248.774   8.2718  255.798   7.6247 -7.023758 11.24982 
1 1 1  -34    7   13 o  270.415   5.5745  199.139   8.1209  182.466   11.536  215.519   11.434  259.099   8.2395  281.732   7.5107 -22.63287 11.14893 
1 1 1  -34    7   14 o   41.042   12.354  -2.7626   5.1673   4.8397   7.7582  -8.8239   6.9274   50.911   19.740   31.173   14.858 19.73788 24.70700 
1 1 1  -34    7   15 o  240.833   7.6019  157.832   9.8648  165.495   14.629  151.441   13.359  246.115   11.000  235.551   10.495 10.56473 15.20385 
1 1 1  -34    7   16 o  134.149   10.134   49.875   7.2945   45.991   10.684   53.266   9.9835  129.044   15.322  139.255   13.267 -10.21043 20.26784 
1 1 1  -34    7   17 o  148.777   9.8896   61.320   7.8463   49.752   11.024   73.198   11.170  134.213   15.200  163.341   12.656 -29.12772 19.77913 
1 1 1  -34    7   18 o   55.247   14.710   5.7669   5.7592   9.9459   9.8752   3.6128   7.0898   63.276   22.709   47.219   18.702 16.05656 29.41901 
1 1 1  -34    7   19 o   52.839   13.425   6.3149   5.1605   1.5188   7.7916   10.063   6.8879   45.527   19.005   60.150   18.967 -14.62260 26.84994 
1 1 1  -34    7   20 o  163.510   7.0674   73.434   6.2052   66.567   8.9856   79.695   8.5793  156.043   10.657  170.978   9.2859 -14.93561 14.13471 
1 1 1  -34    7   21 o   62.690   16.240   7.1452   6.3848   16.020   13.104   4.3821   7.3114   76.396   26.258   48.985   19.116 27.41119 32.47964 
1 1 1  -34    7   22 o   79.358   15.316   19.149   7.8300   2.9797   12.410   29.842   10.092   57.229   23.945  101.487   19.104 -44.25727 30.63246 
1 1 1  -34    7   23 o  150.778   11.505   63.991   9.1741   60.586   14.298   66.374   11.961  146.790   18.025  154.767   14.302 -7.977020 23.01014 
1 1 1  -34    7   24 o   51.669   11.214  -2.5504   5.1941   18.107   7.8242 -18.8273   6.9452   78.579   18.698   24.760   12.387 53.81820 22.42855 
1 1 1  -34    7   25 o  144.619   7.7032   56.995   5.9774   67.384   8.8426   48.254   8.1113  156.758   10.439  132.479   11.331 24.27937 15.40639 
1 1 1  -34    7   26 o  205.412   6.2341  115.160   6.8918  116.321   10.237  114.198   9.3201  206.263   9.1850  204.562   8.4316 1.700836 12.46817 
1 1 1  -34    7   27 f   97.035   14.709   26.968   6.7550   28.716   13.444   26.378   7.8128   96.830   25.384   97.240   14.869 -0.4102631 29.41820 
1 1 1  -34    7   28 o  199.662   6.4926  107.901   6.9377  117.693   10.736  100.880   9.0908  207.237   9.5871  192.088   8.7582 15.14949 12.98530 
1 1 1  -34    7   29 o   74.422   12.708   9.7850   6.5237  -4.2456   8.1679   34.505   10.842   38.873   17.696  109.970   18.244 -71.09705 25.41640 
1 1 1  -34    7   30 o  131.540   8.4005   47.607   5.9489   53.407   8.8227   42.771   8.0555  138.870   11.757  124.211   12.002 14.65908 16.80107 
1 1 1  -34    7   31 o   56.520   12.361   7.0749   5.1818  -3.4929   7.4634   16.910   7.2001   37.565   17.028   75.476   17.921 -37.91099 24.72114 
1 1 1  -34    7   32 o   49.841   13.236   4.5941   5.2910  -1.7301   7.8141   9.9484   7.1899   40.531   17.965   59.150   19.443 -18.61889 26.47154 
1 1 1  -34    7   33 o  105.054   9.7314   31.020   5.5199   30.964   7.9592   31.072   7.6619  104.878   14.044  105.229   13.475 -0.3502502 19.46282 
1 1 1  -34    7   34 o   36.058   11.675  -6.1175   5.2661   0.0829   7.8275 -11.2444   7.1178   42.659   18.462   29.456   14.294 13.20228 23.34916 
1 1 1  -34    7   35 o  110.028   9.8084   34.341   5.7770   32.301   8.6104   36.012   7.7907  106.670   14.938  113.386   12.715 -6.715530 19.61689 
1 1 1  -34    7   36 o   70.230   14.167   15.025   5.6290   15.755   8.2789   14.398   7.6764   71.681   20.398   68.779   19.666 2.902153 28.33470 
1 1 1  -34    7   37 o   94.393   11.455   26.189   5.6580   30.075   7.9868   22.274   8.0164  102.783   14.380   86.003   17.835 16.77987 22.91009 
1 1 1  -34    7   38 o   81.504   13.548   20.504   5.8757   18.582   8.4719   22.285   8.1561   77.328   20.092   85.681   18.179 -8.353363 27.09561 
1 1 1  -34    7   39 o   73.902   14.002   16.964   5.8074   12.939   8.1173   21.185   8.3120   64.910   20.603   82.894   18.967 -17.98459 28.00430 
1 1 1  -34    7   40 f   52.761   14.385   6.6352   5.8168   7.7590   8.2474   5.5229   8.2053   54.706   20.561   50.815   20.122 3.891045 28.76910 
1 1 1  -34    7   41 o  108.400   10.492   33.892   6.0712   40.657   8.7583   27.634   8.4233  119.379   13.577   97.421   16.001 21.95747 20.98480 
1 1 1  -34    7   42 o   72.848   14.624   16.940   6.0298   18.205   8.6662   15.753   8.3951   75.415   20.657   70.280   20.705 5.134552 29.24724 
1 1 1  -34    7   43 o  100.900   11.465   30.289   6.0958   27.182   8.4525   33.655   8.7994   94.449   17.195  107.351   15.169 -12.90166 22.92982 
1 1 1  -34    7   44 o   78.712   14.030   20.185   6.1497   14.030   8.7618   26.161   8.6336   65.835   21.455   91.589   18.086 -25.75467 28.06083 
1 1 1  -34    7   45 o  111.179   11.602   38.749   6.5207   30.227   9.7228   45.715   8.7907   96.942   19.240  125.417   12.971 -28.47488 23.20371 
1 1 1  -34    7   46 o   39.566   12.973  -5.6002   6.7466 -10.4842   9.8817  -1.3357   9.2336   36.467   17.479   42.664   19.176 -6.197273 25.94693 
1 1 1  -34    7   49 o   42.226   14.435 -12.8792   9.9991  -1.5588   14.697 -22.6351   13.644   48.301   22.596   36.150   17.969 12.15136 28.86935 
1 1 1  -34    7   50 o   49.689   15.654   1.6687   7.8160  -1.6824   9.3684   9.3423   14.177   41.306   18.861   58.071   24.990 -16.76539 31.30836 
1 1 1  -34    7   51 o   43.157   13.633  -2.4799   7.0629   9.0833   10.181 -13.2074   9.8063   53.268   21.934   33.046   16.196 20.22247 27.26564 
1 1 1  -34    8    1 o  176.832   6.1128   85.297   5.7689   83.225   8.8230   86.844   7.6245  174.857   9.3378  178.808   7.8911 -3.950729 12.22554 
1 1 1  -34    8    2 o  191.998   5.9568   99.463   6.1223  105.386   9.4279   95.143   8.0507  196.843   8.8635  187.153   7.9606 9.690582 11.91357 
1 1 1  -34    8    3 o  149.509   6.9103   61.199   5.5316   58.242   8.2885   63.573   7.4279  146.145   10.496  152.874   8.9917 -6.729401 13.82052 
1 1 1  -34    8    4 o  172.199   6.2051   80.076   5.7231   84.701   8.7885   76.671   7.5413  176.428   9.2184  167.969   8.3087 8.459122 12.41022 
1 1 1  -34    8    5 o  176.852   6.2168   85.048   5.9183   85.135   8.7622   84.975   8.0257  176.886   9.1671  176.819   8.3998 0.6640625E-01 12.43353 
1 1 1  -34    8    6 o  207.569   5.7593  117.816   6.4067  109.939   9.4941  124.403   8.6813  201.070   8.7381  214.068   7.5049 -12.99889 11.51861 
1 1 1  -34    8    7 o  103.863   9.2536   28.977   5.1072   32.799   8.1619   26.518   6.5474  109.291   13.820   98.434   12.309 10.85724 18.50727 
1 1 1  -34    8    8 o  138.700   7.3081   52.615   5.4397   50.992   8.1120   53.941   7.3328  136.668   10.984  140.732   9.6425 -4.063614 14.61613 
1 1 1  -34    8    9 o   90.993   10.851   23.747   5.0556   20.356   7.7906   26.213   6.6447   84.163   17.692   97.824   12.570 -13.66128 21.70289 
1 1 1  -34    8   10 o   75.369   12.777   16.445   5.1037   15.911   7.7898   16.846   6.7558   74.154   19.266   76.583   16.788 -2.428947 25.55392 
1 1 1  -34    8   11 o  132.653   7.9739   49.096   5.5884   41.579   8.4030   55.058   7.4832  123.165   12.626  142.140   9.7428 -18.97469 15.94782 
1 1 1  -34    8   12 o  113.474   8.9469   35.668   5.3842   33.181   8.2856   37.485   7.0837  109.835   13.960  117.113   11.194 -7.277206 17.89374 
1 1 1  -34    8   13 o  130.577   9.5193   47.038   6.6091   47.967   8.6623   45.743   10.224  132.334   12.114  128.820   14.688 3.513947 19.03852 
1 1 1  -34    8   14 o  262.715   7.6804  188.056   10.880  196.216   16.027  181.081   14.818  267.930   11.070  257.500   10.649 10.42999 15.36074 
1 1 1  -34    8   15 o  172.342   8.5450   81.363   7.9565   82.410   11.374   80.360   11.134  173.416   12.138  171.267   12.031 2.148956 17.08996 
1 1 1  -34    8   16 o  194.920   8.2522  104.711   8.6294   92.477   12.389  116.239   12.026  183.602   12.488  206.238   10.791 -22.63596 16.50436 
1 1 1  -34    8   17 o  194.129   11.770  103.243   12.347  103.243   12.347   0.0000   0.0000  194.129   11.770  ?   ?       ?      ? 
1 1 1  -34    8   18 o  108.628   9.6418   33.094   5.5504   27.619   8.1921   37.740   7.5464   99.924   15.172  117.332   11.902 -17.40864 19.28352 
1 1 1  -34    8   19 o   37.507   11.955  -3.6361   5.1794  -6.4579   7.6685  -1.2692   7.0233   35.562   16.531   39.452   17.275 -3.889744 23.91015 
1 1 1  -34    8   20 o  126.259   8.5093   44.983   5.6405   35.904   8.4174   52.381   7.5990  114.083   13.654  138.434   10.158 -24.35122 17.01854 
1 1 1  -34    8   21 o  136.714   12.096   51.296   8.6626   56.284   14.365   48.446   10.859  141.351   18.807  132.076   15.216 9.274704 24.19151 
1 1 1  -34    8   22 o  132.392   14.087   54.129   9.0507   34.347   13.790   69.099   11.996  106.853   24.416  157.932   14.057 -51.07963 28.17364 
1 1 1  -34    8   23 o   83.756   15.062   20.333   6.6831   18.511   8.4729   23.333   10.872   79.214   19.838   88.298   22.670 -9.084755 30.12429 
1 1 1  -34    8   24 o   50.597   13.560   4.7908   5.1906   8.7035   7.8460   1.7456   6.9217   57.826   20.293   43.369   17.992 14.45773 27.12061 
1 1 1  -34    8   25 o  210.696   6.2750  122.153   7.0913  108.621   10.237  134.634   9.8320  199.225   9.5096  222.167   8.1898 -22.94200 12.55008 
1 1 1  -34    8   26 o  112.785   9.2074   33.979   5.5001   45.100   8.6973   26.567   7.1001  127.706   12.603   97.863   13.426 29.84286 18.41481 
1 1 1  -34    8   27 o   36.467   11.779  -5.1468   5.3509 -10.8690   8.2310  -0.9583   7.0421   33.313   15.964   39.621   17.324 -6.308010 23.55785 
1 1 1  -34    8   28 o  142.012   10.780   55.140   6.8823   59.392   14.742   53.955   7.7824  143.956   18.951  140.068   10.282 3.888260 21.56092 
1 1 1  -34    8   29 o   87.301   12.458   22.619   5.6856   19.104   8.6720   25.269   7.5298   79.728   20.126   94.873   14.688 -15.14528 24.91592 
1 1 1  -34    8   30 o   75.250   14.457   17.924   6.2682   22.358   7.9323   10.552   10.228   87.180   17.447   63.321   23.057 23.85917 28.91432 
1 1 1  -34    8   31 o   75.690   13.590   17.009   5.6611   22.037   8.2658   12.566   7.7692   86.115   18.326   65.264   20.074 20.85092 27.18090 
1 1 1  -34    8   32 o   69.014   13.523   13.517   5.4855   21.177   8.2757   7.5132   7.3262   84.039   18.705   53.989   19.536 30.04994 27.04694 
1 1 1  -34    8   33 o   75.726   13.463   16.924   5.4895   21.073   8.4433   13.885   7.2249   83.529   19.119   67.922   18.961 15.60764 26.92696 
1 1 1  -34    8   34 o   44.442   13.071   0.5454   5.4486   6.3193   8.0203  -4.4031   7.4250   52.622   20.159   36.262   16.644 16.35944 26.14189 
1 1 1  -34    8   35 o  253.658   5.9774  176.783   8.1647  177.215   12.062  176.418   11.092  253.768   8.7960  253.549   8.0961 0.2187958 11.95479 
1 1 1  -34    8   36 o  119.639   9.3435   40.457   6.0044   39.861   8.9470   40.946   8.0992  118.534   13.968  120.743   12.413 -2.209717 18.68710 
1 1 1  -34    8   37 o   57.348   14.197   9.0315   5.6196   5.2269   8.1291   12.514   7.7772   50.483   20.016   64.213   20.140 -13.72975 28.39482 
1 1 1  -34    8   38 o  133.878   8.8762   50.260   6.2440   67.462   9.2866   36.067   8.4353  155.298   11.066  112.457   13.881 42.84087 17.75234 
1 1 1  -34    8   39 o   89.503   12.538   24.611   5.8936   17.974   8.5102   30.727   8.1698   75.619   20.370  103.387   14.624 -27.76802 25.07562 
1 1 1  -34    8   40 o   69.615   14.765   15.032   5.9843   17.123   8.9262   13.325   8.0654   73.571   21.258   65.658   20.496 7.913132 29.52919 
1 1 1  -34    8   41 o   70.732   14.168   15.608   5.9097   21.509   8.4638   9.9952   8.2552   82.931   19.256   58.534   20.789 24.39741 28.33698 
1 1 1  -34    8   42 o  131.430   9.4916   49.495   6.7320   52.782   9.8072   46.566   9.2574  135.566   13.388  127.293   13.458 8.273300 18.98316 
1 1 1  -34    8   43 f   44.374   13.414   1.1528   5.8542  -2.6224   8.3231   4.8490   8.2357   39.654   17.978   49.095   19.912 -9.440945 26.82742 
1 1 1  -34    8   44 o   70.852   13.906   15.258   6.2604   27.542   9.3082   5.1119   8.4597   92.560   19.238   49.144   20.086 43.41619 27.81295 
1 1 1  -34    8   45 o   64.726   14.726   13.036   6.4508   20.888   9.0826   5.0445   9.1636   79.285   20.902   50.166   20.747 29.11926 29.45115 
1 1 1  -34    8   46 o  220.385   15.020  116.880   12.784  334.234   24.678   37.162   14.945  339.418   13.455  101.351   26.858 238.0676 30.03948 
1 1 1  -34    8   47 o   58.039   17.312   7.0357   9.6407  -0.1460   14.106   13.331   13.207   51.530   23.379   64.547   25.538 -13.01698 34.62329 
1 1 1  -34    8   48 o   37.853   18.717 -20.0608   14.087   0.0000   0.0000 -20.0608   14.087  ?   ?    37.853   18.717      ?      ? 
1 1 1  -34    8   49 o   48.918   15.973  -3.0621   10.313 -14.2050   15.330   6.1486   13.938   43.037   20.906   54.800   24.155 -11.76312 31.94550 
1 1 1  -34    8   50 o   63.403   14.617   12.250   7.0871   26.413   10.151  -1.2196   9.8991   84.746   21.980   42.061   19.273 42.68511 29.23353 
1 1 1  -34    9    1 o   89.382   10.741   22.075   4.9636   23.843   7.9757   20.958   6.3411   91.419   16.763   87.345   13.435 4.074104 21.48270 
1 1 1  -34    9    2 o  178.021   6.3623   86.052   6.0423   87.593   9.3560   84.950   7.9140  179.284   9.6574  176.759   8.2857 2.525589 12.72469 
1 1 1  -34    9    3 o  139.591   7.4502   54.024   5.4955   48.511   8.4524   58.061   7.2330  133.152   11.747  146.030   9.1662 -12.87787 14.90035 
1 1 1  -34    9    4 o  219.186   5.7620  130.635   6.7660  130.287   10.254  130.903   9.0047  218.840   8.6708  219.532   7.5907 -0.6928101 11.52401 
1 1 1  -34    9    5 o  150.894   6.9123   61.626   5.5564   64.579   8.7005   59.593   7.2207  153.829   10.467  147.960   9.0313 5.868912 13.82461 
1 1 1  -34    9    6 o   84.243   11.334   20.106   4.9131   21.048   7.6349   19.440   6.4187   85.698   17.087   82.789   14.895 2.908897 22.66774 
1 1 1  -34    9    7 o   82.894   11.848   21.859   5.1139   10.049   8.0505   29.848   6.6214   61.346   20.587  104.441   11.733 -43.09589 23.69559 
1 1 1  -34    9    8 f   53.994   13.492   6.6496   4.8860   10.058   7.7627   4.4131   6.2878   61.050   20.209   46.937   17.881 14.11300 26.98355 
1 1 1  -34    9    9 o   77.414   12.240   16.997   4.9404   19.186   7.6885   15.457   6.4478   81.539   17.937   73.289   16.659 8.250542 24.47958 
1 1 1  -34    9   10 o  130.321   7.8877   46.031   5.4983   49.133   8.5043   43.803   7.2072  133.978   11.747  126.664   10.530 7.313797 15.77542 
1 1 1  -34    9   11 o  195.477   8.3807  103.935   8.8524   0.0000   0.0000  103.935   8.8524  ?   ?   195.477   8.3807      ?      ? 
1 1 1  -34    9   12 o   65.074   14.571   10.808   6.5130   1.1126   9.6286   18.986   8.8429   49.446   20.912   80.702   20.297 -31.25585 29.14242 
1 1 1  -34    9   13 o   84.134   14.727   20.511   6.6560   23.401   9.8681   18.099   9.0155   89.498   20.800   78.771   20.853 10.72757 29.45349 
1 1 1  -34    9   14 o   60.238   15.376   8.8206   6.4288   7.7004   9.1041   9.9347   9.0794   58.247   21.659   62.229   21.831 -3.981499 30.75238 
1 1 1  -34    9   15 o   47.464   13.580   0.9519   5.3702   7.8063   9.1233  -2.6820   6.6429   58.434   21.691   36.494   16.344 21.93982 27.15938 
1 1 1  -34    9   16 o   49.528   13.746   4.2577   5.4625  -2.3784   9.9029   7.1599   6.5489   45.917   20.294   53.138   18.546 -7.220760 27.49194 
1 1 1  -34    9   17 o  144.987   7.5146   57.361   5.8235   58.341   8.9489   56.641   7.6697  145.937   11.348  144.037   9.8540 1.900131 15.02923 
1 1 1  -34    9   18 o  293.106   5.8879  234.411   9.2817  228.560   13.712  239.359   12.610  289.601   8.7622  296.611   7.8673 -7.009766 11.77588 
1 1 1  -34    9   19 o  189.251   6.5018   98.038   6.5834   95.530   9.9659   99.980   8.7691  186.954   9.8649  191.548   8.4721 -4.593414 13.00358 
1 1 1  -34    9   20 o   90.412   15.297   26.719   6.5964   16.430   14.506   29.401   7.4064   77.653   27.560  103.172   13.285 -25.51897 30.59486 
1 1 1  -34    9   21 o  157.006   11.178   68.077   9.1567   71.622   15.202   66.059   11.471  159.566   17.631  154.445   13.745 5.120956 22.35563 
1 1 1  -34    9   22 o   77.054   17.764   16.751   8.1975   19.119   13.909   15.491   10.147   81.064   27.061   73.045   23.020 8.018822 35.52735 
1 1 1  -34    9   23 o  163.551   7.1469   72.515   6.2818   82.812   9.4554   64.379   8.4048  173.842   10.066  153.260   10.149 20.58153 14.29376 
1 1 1  -34    9   24 o  216.554   9.1883  128.253   10.752  128.253   10.752   0.0000   0.0000  216.554   9.1883  ?   ?       ?      ? 
1 1 1  -34    9   25 o   70.057   13.939   14.219   5.4641   16.470   8.3701   12.547   7.2132   74.527   20.254   65.587   19.155 8.940720 27.87778 
1 1 1  -34    9   26 o   78.661   12.838   17.628   5.4456   25.870   8.3032   11.406   7.2138   94.479   16.883   62.842   19.346 31.63720 25.67687 
1 1 1  -34    9   27 o  127.176   8.7413   45.130   5.9373   42.746   8.9625   46.995   7.9260  123.882   13.389  130.471   11.242 -6.588631 17.48263 
1 1 1  -34    9   28 f   55.920   11.896  -0.6082   5.5020   21.486   8.8315 -14.6234   7.0338   84.702   19.672   27.139   13.383 57.56274 23.79251 
1 1 1  -34    9   29 o  164.733   9.5344   78.885   7.3131   69.414   14.134   82.348   8.5460  156.233   16.741  173.232   9.1295 -16.99910 19.06890 
1 1 1  -34    9   30 o   37.357   12.044  -4.4377   5.4705  -8.4295   8.2823  -1.3487   7.2859   35.163   16.608   39.552   17.447 -4.389111 24.08838 
1 1 1  -34    9   31 o   44.113   13.957  -2.1983   6.5607  -1.9429   8.1488  -2.6689   11.062   41.048   18.262   47.178   21.112 -6.130116 27.91421 
1 1 1  -34    9   32 o   62.555   14.019   10.871   5.4844   16.191   8.2260   6.6132   7.3586   72.942   20.186   52.167   19.458 20.77478 28.03712 
1 1 1  -34    9   33 o  109.679   9.9158   34.291   5.7947   31.252   8.6912   36.723   7.7749  104.797   15.348  114.561   12.560 -9.763458 19.83164 
1 1 1  -34    9   34 o   52.767   14.273   6.4707   5.6771   5.9564   8.3562   6.9116   7.7368   52.408   20.441   53.127   19.925 -0.7188797 28.54519 
1 1 1  -34    9   35 o   95.200   11.628   26.737   5.7463   25.048   8.7576   28.014   7.6147   91.096   18.424   99.303   14.191 -8.207039 23.25547 
1 1 1  -34    9   36 o  115.830   9.6637   38.147   6.0257   37.089   8.8312   39.068   8.2425  114.049   14.330  117.612   12.969 -3.562447 19.32740 
1 1 1  -34    9   37 o   35.943   11.841  -7.4117   5.6856  -1.6431   8.4404 -12.2037   7.6929   41.591   18.539   30.295   14.738 11.29592 23.68297 
1 1 1  -34    9   38 o   59.544   13.370   7.3178   5.8618   20.406   8.8208  -3.0338   7.8445   80.633   20.267   38.455   17.442 42.17778 26.73943 
1 1 1  -34    9   39 o  152.758   8.1141   65.305   6.6847   71.176   9.7437   60.085   9.1879  159.300   11.319  146.215   11.629 13.08481 16.22826 
1 1 1  -34    9   40 o  143.119   8.8177   58.304   6.7908   53.839   9.7628   62.489   9.4521  137.413   13.148  148.826   11.753 -11.41283 17.63545 
1 1 1  -34    9   41 o  133.998   9.2176   52.244   6.5430   44.422   9.7072   58.756   8.8574  123.747   14.517  144.249   11.363 -20.50148 18.43528 
1 1 1  -34    9   42 o   89.881   13.381   25.452   6.2716   23.513   9.2927   27.073   8.4992   85.694   20.368   94.069   17.360 -8.374992 26.76218 
1 1 1  -34    9   43 o  106.891   12.008   35.525   6.5891   28.135   9.5376   42.272   9.1136   93.615   19.488  120.166   14.035 -26.55145 24.01592 
1 1 1  -34    9   44 o   55.154   13.867   5.7694   6.4368  -6.9115   9.1998   17.930   9.0093   37.348   17.599   72.961   21.436 -35.61277 27.73468 
1 1 1  -34    9   45 o   40.564   13.597 -10.3106   7.7893 -15.5277   10.109  -2.6869   12.220   33.983   16.611   47.145   21.532 -13.16150 27.19452 
1 1 1  -34    9   46 o   56.577   16.904   1.6706   9.9830 -13.7996   14.185   16.851   14.052   43.017   20.703   70.137   26.727 -27.12053 33.80735 
1 1 1  -34    9   47 o   53.163   24.394   2.4775   15.932   0.0000   0.0000   2.4775   15.932  ?   ?    53.163   24.394      ?      ? 
1 1 1  -34    9   48 o   47.303   15.236  -5.3482   9.6051 -24.3694   14.261   10.444   12.994   36.800   18.305   57.806   24.362 -21.00602 30.47224 
1 1 1  -34    9   49 o   48.694   15.366   1.4242   7.9167  -2.3970   9.9092   8.1667   13.163   41.512   19.118   55.877   24.062 -14.36462 30.73274 
1 1 1  -34    9   50 f   41.918   13.136  -3.2319   6.8290 -17.8871   10.124   9.0032   9.2504   31.334   15.558   52.502   21.170 -21.16787 26.27228 
1 1 1  -34   10    1 o   57.271   13.295   8.9762   4.7635   6.6418   7.7807   10.376   6.0245   54.160   20.046   60.383   17.469 -6.223518 26.58981 
1 1 1  -34   10    2 o   74.059   12.289   14.315   4.8838   24.292   8.0690   8.5462   6.1353   92.232   16.810   55.887   17.930 36.34447 24.57757 
1 1 1  -34   10    3 o  122.867   8.4577   41.726   5.4701   39.609   8.6589   43.131   7.0565  120.044   13.349  125.690   10.390 -5.646660 16.91534 
1 1 1  -34   10    4 o  132.341   7.8079   46.035   5.4747   59.103   8.8183   37.840   6.9835  147.025   11.099  117.657   10.984 29.36898 15.61577 
1 1 1  -34   10    5 o  164.171   6.8355   73.823   5.9479   71.652   9.2941   75.330   7.7405  161.964   10.619  166.378   8.6096 -4.414719 13.67108 
1 1 1  -34   10    6 o   44.693   12.087   1.6852   4.8789  -9.2474   7.9349   8.3307   6.1865   33.966   16.106   55.419   18.026 -21.45278 24.17348 
1 1 1  -34   10    7 o   87.573   11.051   20.876   5.0515   25.477   8.0709   17.913   6.4770   95.977   15.562   79.170   15.695 16.80714 22.10203 
1 1 1  -34   10    8 o   99.102   12.979   26.975   6.9504   0.0000   0.0000   26.975   6.9504  ?   ?    99.102   12.979      ?      ? 
1 1 1  -34   10    9 o  151.410   7.2884   62.066   5.8962   66.002   9.1553   59.276   7.7075  155.384   10.904  147.437   9.6743 7.947144 14.57686 
1 1 1  -34   10   10 o   99.587   12.722   27.494   6.5483   40.721   10.026   17.655   8.6472  121.355   15.290   77.819   20.337 43.53590 25.44390 
1 1 1  -34   10   11 o   62.247   14.209   8.7863   6.4563  -2.5315   9.4772   18.588   8.8195   44.709   19.802   79.785   20.383 -35.07604 28.41747 
1 1 1  -34   10   12 o   52.324   13.875  -1.2740   6.4132   14.606   9.9392 -12.6013   8.3944   71.846   22.798   32.802   15.822 39.04410 27.74995 
1 1 1  -34   10   13 o  110.357   12.218   32.908   6.8140   50.608   10.810   21.239   8.7773  135.323   14.783   85.392   19.456 49.93162 24.43515 
1 1 1  -34   10   14 o  207.547   6.5323  118.179   7.1988  113.276   11.145  121.689   9.4300  203.640   10.128  211.453   8.2529 -7.813782 13.06462 
1 1 1  -34   10   15 f  230.974   7.0368  147.000   8.1872  142.117   14.349  149.357   9.9695  227.635   11.665  234.312   7.8739 -6.677292 14.07365 
1 1 1  -34   10   16 o  106.634   15.794   31.608   9.1006   31.608   9.1006   0.0000   0.0000  106.634   15.794  ?   ?       ?      ? 
1 1 1  -34   10   17 o  175.806   6.8922   84.648   6.4328   83.511   10.044   85.438   8.3761  174.610   10.645  177.003   8.7574 -2.393066 13.78439 
1 1 1  -34   10   18 o  214.963   6.2105  127.579   7.1250  112.121   10.488  140.827   9.7094  202.527   9.5836  227.400   7.9016 -24.87288 12.42091 
1 1 1  -34   10   19 o   59.776   14.017   8.9464   5.3399   14.037   8.4026   5.4977   6.9160   69.492   20.773   50.060   18.826 19.43194 28.03483 
1 1 1  -34   10   20 o   69.115   17.658   12.494   8.6049   6.4752   14.251   15.948   10.795   64.027   26.108   74.204   23.781 -10.17693 35.31562 
1 1 1  -34   10   21 o  144.381   12.990   61.220   9.5835   50.473   15.443   67.950   12.221  132.443   21.579  156.320   14.468 -23.87701 25.98019 
1 1 1  -34   10   22 o   43.840   13.572  -3.8688   6.7300   3.9679   8.7331 -15.3288   10.561   50.959   20.562   36.721   17.720 14.23792 27.14412 
1 1 1  -34   10   23 f  110.368   9.6897   33.562   5.7483   36.398   8.6913   31.356   7.6638  114.401   14.059  106.335   13.338 8.066650 19.37936 
1 1 1  -34   10   24 f  138.041   8.0922   52.456   5.9547   53.001   9.2240   52.067   7.7971  138.432   12.331  137.649   10.483 0.7825928 16.18444 
1 1 1  -34   10   25 o   76.973   12.658   16.042   5.5647   27.650   8.6266   7.7691   7.2823   99.047   16.118   54.900   19.523 44.14726 25.31643 
1 1 1  -34   10   26 o   63.504   13.463   10.758   5.3835   18.412   8.0126   4.4589   7.2686   78.580   19.065   48.429   19.014 30.15093 26.92569 
1 1 1  -34   10   27 o  168.710   7.0780   78.474   6.3796   77.311   9.7395   79.348   8.4430  167.371   10.769  170.048   9.1883 -2.677628 14.15598 
1 1 1  -34   10   28 o  126.321   8.4802   43.171   5.7098   51.626   9.0224   37.522   7.3744  136.305   12.250  116.338   11.730 19.96637 16.96044 
1 1 1  -34   10   29 o   77.198   13.895   17.363   5.7294   21.637   9.1671   14.623   7.3395   84.517   20.322   69.879   18.956 14.63824 27.79099 
1 1 1  -34   10   30 o   95.677   15.242   28.056   6.6286   26.577   14.405   28.453   7.4661   90.758   27.215  100.596   13.735 -9.838097 30.48433 
1 1 1  -34   10   31 o   53.767   15.355   2.7600   7.0811  -2.9940   9.1164   11.511   11.243   42.272   19.022   65.263   24.109 -22.99096 30.70925 
1 1 1  -34   10   32 o   49.286   14.687   2.4391   6.6505   3.6023   8.7131   0.8155   10.294   49.495   20.325   49.077   21.206 0.4180450 29.37353 
1 1 1  -34   10   33 o   51.806   14.401   5.4784   5.8911   7.0254   8.7731   4.2080   7.9500   54.814   21.063   48.798   19.643 6.015862 28.80148 
1 1 1  -34   10   34 o   49.589   14.158   4.3221   5.7786   5.3331   9.0247   3.6196   7.5231   52.324   20.976   46.854   19.021 5.470615 28.31637 
1 1 1  -34   10   35 o  143.653   8.7213   58.592   6.6827   53.668   10.004   62.559   8.9803  137.612   13.453  149.693   11.102 -12.08080 17.44267 
1 1 1  -34   10   36 o   91.025   12.456   24.110   5.9529   33.474   9.1266   17.176   7.8534  107.578   15.700   74.472   19.342 33.10615 24.91205 
1 1 1  -34   10   37 o  130.165   9.1003   47.874   6.3130   49.074   9.8092   47.025   8.2482  131.068   13.850  129.263   11.809 1.805267 18.20069 
1 1 1  -34   10   38 o  153.287   8.4492   65.666   6.9674   71.758   10.475   60.831   9.3309  159.506   12.153  147.067   11.741 12.43890 16.89846 
1 1 1  -34   10   39 o   61.781   14.974   11.429   6.0257   12.836   8.7999   10.187   8.2683   64.509   21.524   59.052   20.823 5.456532 29.94846 
1 1 1  -34   10   40 o  169.150   7.6216   80.927   6.9105   75.184   10.190   85.817   9.4030  163.062   11.565  175.238   9.9300 -12.17662 15.24314 
1 1 1  -34   10   41 o   99.347   12.958   31.332   6.6165   19.117   9.4278   43.187   9.2880   76.494   21.768  122.201   14.066 -45.70742 25.91675 
1 1 1  -34   10   42 f   51.922   14.561   6.0355   6.3623   0.9637   9.4546   10.233   8.6011   45.679   20.021   58.164   21.149 -12.48483 29.12268 
1 1 1  -34   10   43 o  145.456   8.7943   60.525   6.8772   69.042   10.305   53.685   9.2343  154.673   12.330  136.239   12.543 18.43405 17.58859 
1 1 1  -34   10   44 o   66.018   17.119   14.401   8.1830   17.355   10.151   8.9212   13.828   71.527   23.076   60.510   25.293 11.01689 34.23823 
1 1 1  -34   10   45 o   54.956   16.847   1.6850   9.4117   12.561   14.589  -6.0676   12.318   65.255   26.490   44.657   20.823 20.59771 33.69415 
1 1 1  -34   10   46 o   63.430   17.897   13.848   9.3864   9.9685   13.575   17.401   12.992   58.881   24.862   67.980   25.749 -9.098904 35.79305 
1 1 1  -34   10   47 o   74.416   19.476   24.207   10.290   29.730   15.916   20.241   13.487   79.678   28.801   69.154   26.225 10.52414 38.95137 
1 1 1  -34   10   48 o   65.916   18.170   16.072   9.8062   8.5315   14.756   22.036   13.123   57.704   25.159   74.127   26.224 -16.42315 36.34074 
1 1 1  -34   10   49 o   56.805   15.124   9.4908   7.0981   20.055   10.278  -0.1439   9.8149   71.125   23.239   42.485   19.362 28.64067 30.24816 
1 1 1  -34   11    1 o   65.612   13.483   12.135   4.9561   13.305   8.0547   11.423   6.2872   68.146   20.332   63.078   17.716 5.068485 26.96701 
1 1 1  -34   11    2 o  197.485   9.7222  106.411   10.375  106.411   10.375   0.0000   0.0000  197.485   9.7222  ?   ?       ?      ? 
1 1 1  -34   11    3 o  283.527   5.8185  218.882   8.8450  217.406   13.342  220.039   11.814  282.547   8.7388  284.507   7.6846 -1.960052 11.63704 
1 1 1  -34   11    4 o   56.670   13.658   8.2545   4.9120   9.4646   7.9068   7.4940   6.2683   59.847   20.401   53.494   18.165 6.353195 27.31598 
1 1 1  -34   11    5 o  187.954   9.5693   96.354   9.7189   96.354   9.7189   0.0000   0.0000  187.954   9.5693  ?   ?       ?      ? 
1 1 1  -34   11    6 o  104.975   9.6306   29.513   5.3781   35.367   8.5762   25.719   6.9045  113.259   14.013   96.690   13.215 16.56869 19.26121 
1 1 1  -34   11    7 o   43.065   18.536  -0.2239   7.8026   0.0000   0.0000  -0.2239   7.8026  ?   ?    43.065   18.536      ?      ? 
1 1 1  -34   11    8 f  123.509   10.361   41.275   6.8366   48.333   10.693   36.396   8.8910  132.193   14.970  114.825   14.329 17.36825 20.72267 
1 1 1  -34   11    9 o  228.141   7.6478  142.080   9.3519  144.775   14.212  140.023   12.420  229.877   11.441  226.405   10.152 3.471268 15.29556 
1 1 1  -34   11   10 o   79.406   15.064   18.627   6.5677   17.052   10.193   19.746   8.5883   76.594   22.875   82.219   19.606 -5.624863 30.12806 
1 1 1  -34   11   11 o  119.367   10.052   35.044   6.1168   55.856   11.010   25.751   7.3567  142.167   14.331   96.566   14.098 45.60203 20.10356 
1 1 1  -34   11   12 f  305.309   10.403  254.955   17.162   0.0000   0.0000  254.955   17.162  ?   ?   305.309   10.403      ?      ? 
1 1 1  -34   11   13 o  148.670   8.7671   60.927   7.0267   64.834   9.8576   56.892   10.019  153.634   11.874  143.705   12.902 9.929047 17.53425 
1 1 1  -34   11   14 o   55.212   14.777   5.8342   5.5695   9.7455   10.469   4.2900   6.5777   63.313   23.285   47.112   18.202 16.20136 29.55483 
1 1 1  -34   11   15 o   83.202   13.234   22.463   5.8123   11.545   10.073   27.912   7.1164   65.855   23.001  100.548   13.098 -34.69337 26.46844 
1 1 1  -34   11   16 o  231.818   6.1019  147.276   7.5613  141.752   11.446  151.554   10.072  227.762   9.2999  235.874   7.9022 -8.112335 12.20380 
1 1 1  -34   11   17 o  216.373   6.3289  128.883   7.3144  119.933   10.981  136.021   9.8063  209.363   9.7067  223.383   8.1240 -14.02055 12.65774 
1 1 1  -34   11   18 o   69.202   13.955   13.920   5.3978   14.306   8.5596   13.665   6.9550   70.045   20.973   68.358   18.415 1.687592 27.91027 
1 1 1  -34   11   19 o   46.545   15.010  -4.1119   6.2960   0.1521   14.981  -5.0266   6.9386   58.527   25.435   34.563   15.946 23.96406 30.02080 
1 1 1  -34   11   20 o  104.640   16.858   30.068   9.1572   47.523   15.600   20.892   11.311  125.942   23.795   83.338   23.886 42.60352 33.71534 
1 1 1  -34   11   21 o  162.049   11.914   74.229   9.9785   72.860   16.620   75.000   12.478  159.882   19.238  164.217   14.061 -4.334854 23.82868 
1 1 1  -34   11   22 o  126.613   8.9552   42.731   6.0008   56.981   9.5246   33.351   7.7274  143.557   12.278  109.669   13.040 33.88820 17.91044 
1 1 1  -34   11   23 o   81.549   12.673   20.645   5.6177   11.318   8.5806   27.642   7.4319   63.497   21.254   99.601   13.809 -36.10369 25.34612 
1 1 1  -34   11   24 o   57.104   14.196   8.6332   5.3670   8.3936   8.5042   8.7918   6.9190   57.649   21.019   56.558   19.085 1.091099 28.39102 
1 1 1  -34   11   25 o   41.519   12.847  -0.8189   5.3861  -0.4252   8.4911  -1.0840   6.9672   43.961   19.127   39.077   17.156 4.884205 25.69385 
1 1 1  -34   11   26 f  103.667   10.383   29.793   5.7188   32.461   9.0916   28.046   7.3564  107.166   15.700  100.168   13.591 6.998482 20.76534 
1 1 1  -34   11   27 o  142.402   8.2042   56.812   6.2219   51.938   9.3738   60.650   8.3185  136.523   12.706  148.280   10.382 -11.75740 16.40843 
1 1 1  -34   11   28 f   50.177   13.818   5.2249   5.3855   4.1852   8.1932   6.0158   7.1461   49.550   19.943   50.805   19.131 -1.255257 27.63544 
1 1 1  -34   11   29 o  184.032   7.0738   92.970   6.9571   97.134   10.756   89.976   9.1224  187.299   10.627  180.764   9.3391 6.534683 14.14764 
1 1 1  -34   11   30 o   42.805   14.123  -5.3690   6.6028  -6.8288   14.163  -4.9636   7.4635   49.798   22.905   35.812   16.528 13.98626 28.24596 
1 1 1  -34   11   31 o   67.903   16.785   11.828   6.5712   17.644   14.057   10.201   7.4333   76.298   27.125   59.507   19.779 16.79158 33.57039 
1 1 1  -34   11   32 o   66.430   16.355   12.223   6.9844   9.8892   8.7211   16.396   11.663   59.773   21.353   73.086   24.778 -13.31298 32.70909 
1 1 1  -34   11   33 o  160.246   10.051   77.854   8.0621   97.524   10.661   51.577   12.322  187.307   10.533  133.185   17.121 54.12254 20.10173 
1 1 1  -34   11   34 o  134.213   9.3551   51.499   6.6818   47.344   10.096   54.737   8.9133  128.725   14.514  139.702   11.807 -10.97696 18.71016 
1 1 1  -34   11   35 o  161.490   7.8546   71.477   6.7785   83.804   10.584   62.905   8.8263  172.942   11.325  150.038   10.887 22.90422 15.70923 
1 1 1  -34   11   36 o   41.048   13.044  -2.5153   5.9825  -0.2771   9.1487  -4.1875   7.9075   44.675   19.635   37.421   17.176 7.254276 26.08740 
1 1 1  -34   11   37 o   36.873   12.232  -6.9997   6.0720  -6.2127   9.3305  -7.5778   7.9971   39.192   18.224   34.555   16.321 4.636749 24.46358 
1 1 1  -34   11   38 o  144.684   9.0494   59.512   7.0151   59.500   10.614   59.522   9.3476  144.193   13.623  145.175   11.916 -0.9824829 18.09873 
1 1 1  -34   11   39 o   98.214   12.721   31.034   6.3079   21.386   9.6673   38.188   8.3241   81.071   21.657  115.357   13.354 -34.28643 25.44280 
1 1 1  -34   11   40 o   75.635   14.695   18.667   6.2771   15.241   9.2910   21.544   8.5140   68.718   22.067   82.551   19.412 -13.83308 29.39026 
1 1 1  -34   11   41 o   73.746   15.203   17.916   6.4375   20.750   9.5346   15.542   8.7269   78.823   21.699   68.668   21.301 10.15488 30.40701 
1 1 1  -34   11   42 o   98.151   13.011   31.492   6.5685   21.811   9.6723   39.778   8.9484   80.152   21.769  116.149   14.257 -35.99654 26.02225 
1 1 1  -34   11   43 o   39.819   13.458 -11.8037   7.9350 -16.8282   10.331  -4.5743   12.392   33.771   16.566   45.868   21.214 -12.09778 26.91619 
1 1 1  -34   11   44 o  113.209   17.337   43.493   10.100   46.757   16.203   41.419   12.918  114.413   26.695  112.005   22.128 2.408524 34.67404 
1 1 1  -34   11   45 o   89.898   15.482   23.410   9.9969   58.378   15.459  -1.7261   13.106  131.752   21.713   48.044   22.075 83.70753 30.96387 
1 1 1  -34   11   46 o   62.187   18.651   12.416   10.496   25.766   17.796   5.2950   12.997   72.635   29.337   51.738   23.038 20.89693 37.30119 
1 1 1  -34   11   47 o   61.991   17.669   5.2403   9.9592   30.180   16.380  -9.3874   12.544   82.682   29.292   41.299   19.769 41.38333 35.33875 
1 1 1  -34   11   48 o   35.695   12.552 -21.2942   8.2954 -30.2056   10.472  -6.2793   13.593   27.688   14.021   43.702   20.825 -16.01411 25.10464 
1 1 1  -34   12    1 o   60.097   13.271   7.4495   5.1367   18.096   8.5711   1.4823   6.4167   78.482   20.117   41.712   17.315 36.76998 26.54271 
1 1 1  -34   12    2 o   96.050   10.364   24.765   5.2806   29.950   8.5205   21.532   6.7285  103.870   15.181   88.231   14.113 15.63912 20.72730 
1 1 1  -34   12    3 o   59.730   13.550   10.030   5.1491   5.3693   8.2616   12.990   6.5844   52.547   20.372   66.912   17.872 -14.36533 27.10032 
1 1 1  -34   12    4 o   80.781   13.192   19.192   5.9876   10.530   8.6367   27.207   8.3084   62.613   21.322   98.949   15.539 -36.33585 26.38336 
1 1 1  -34   12    5 o   79.618   14.823   18.599   6.4165   18.993   9.8263   18.306   8.4722   80.241   22.003   78.996   19.867 1.244431 29.64515 
1 1 1  -34   12    6 o  212.050   7.9218  123.597   9.0021  120.856   13.545  125.766   12.048  209.724   11.952  214.377   10.400 -4.653015 15.84366 
1 1 1  -34   12    7 o  166.112   8.6132   76.271   7.6342   73.198   11.620   78.604   10.126  162.900   13.201  169.324   11.067 -6.424469 17.22634 
1 1 1  -34   12    8 o   65.637   15.461   11.658   6.3096   13.268   10.070   10.617   8.0961   69.070   23.024   62.203   20.641 6.866798 30.92141 
1 1 1  -34   12    9 o  124.757   9.6225   39.346   6.1191   54.775   11.160   32.714   7.3169  140.514   14.698  108.999   12.423 31.51591 19.24496 
1 1 1  -34   12   10 o   45.828   12.959   2.1457   5.2775  -5.0332   8.3594   6.9032   6.8051   38.874   17.775   52.783   18.861 -13.90924 25.91742 
1 1 1  -34   12   11 o   60.811   14.571   9.8710   5.8150   6.8961   8.4167   12.588   8.0433   55.360   20.778   66.262   20.432 -10.90289 29.14144 
1 1 1  -34   12   12 o   66.866   15.001   12.742   6.0863   12.983   8.4957   12.489   8.7237   67.308   21.040   66.424   21.388 0.8839874 30.00187 
1 1 1  -34   12   13 o  216.269   7.4275  130.926   7.9960  121.059   14.137  135.568   9.6959  209.500   12.488  223.037   8.0449 -13.53679 14.85494 
1 1 1  -34   12   14 f   92.088   12.990   23.216   5.8789   29.257   10.642   20.563   7.0527   99.672   20.444   84.505   16.032 15.16756 25.98037 
1 1 1  -34   12   15 o  147.924   7.9402   58.055   6.1756   69.246   10.267   51.711   7.7301  158.528   11.986  137.320   10.418 21.20757 15.88037 
1 1 1  -34   12   16 o  129.654   8.7524   45.300   6.0056   51.758   9.7405   41.339   7.6281  136.750   13.182  122.559   11.518 14.19118 17.50486 
1 1 1  -34   12   17 f  187.799   6.8647   97.491   6.8533   90.834   10.471  102.479   9.0641  181.882   10.654  193.717   8.6591 -11.83459 13.72935 
1 1 1  -34   12   18 o  182.728   10.794   91.753   10.658   91.753   10.658   0.0000   0.0000  182.728   10.794  ?   ?       ?      ? 
1 1 1  -34   12   19 f   93.136   18.613   23.285   9.5200   39.459   16.869   15.725   11.532  112.389   27.904   73.882   24.640 38.50758 37.22585 
1 1 1  -34   12   20 o  215.316   10.439  133.120   11.700  113.131   18.318  146.892   15.205  200.154   16.936  230.478   12.209 -30.32442 20.87798 
1 1 1  -34   12   21 o   83.428   15.667   21.396   7.1270   23.127   9.0672   18.597   11.529   88.224   19.535   78.632   24.498 9.591690 31.33308 
1 1 1  -34   12   22 o  126.300   9.1497   45.805   6.0195   36.895   9.2112   52.447   7.9524  114.649   14.868  137.951   10.668 -23.30231 18.29948 
1 1 1  -34   12   23 o  153.837   7.7805   67.070   6.2844   55.214   9.5029   76.285   8.3781  140.958   12.476  166.716   9.2999 -25.75781 15.56095 
1 1 1  -34   12   24 o  181.173   10.634   90.557   10.410   90.557   10.410   0.0000   0.0000  181.173   10.634  ?   ?       ?      ? 
1 1 1  -34   12   25 o   45.225   13.241   1.9136   5.4676  -3.3717   8.8347   5.1945   6.9607   41.402   18.669   49.048   18.782 -7.645748 26.48197 
1 1 1  -34   12   26 o   89.364   12.420   23.376   5.6984   24.803   8.9772   22.413   7.3747   91.148   18.849   87.579   16.179 3.569817 24.84036 
1 1 1  -34   12   27 f   36.282   11.896  -5.9794   5.4977  -3.4846   8.4024  -7.8470   7.2698   39.981   18.101   32.584   15.441 7.397091 23.79181 
1 1 1  -34   12   28 o   73.950   13.629   17.090   5.7734   10.093   8.6931   22.613   7.7225   60.425   21.347   87.475   16.950 -27.05039 27.25756 
1 1 1  -34   12   29 o  101.213   11.849   31.129   6.0181   23.718   9.2877   36.493   7.9013   88.306   19.936  114.119   12.813 -25.81280 23.69846 
1 1 1  -34   12   30 o   79.515   13.314   19.918   5.7623   13.676   9.2965   23.813   7.3430   67.509   22.104   91.521   14.848 -24.01212 26.62814 
1 1 1  -34   12   31 o   97.774   15.895   30.363   7.2629   27.658   15.339   31.144   8.2457   90.948   28.245  104.600   14.588 -13.65221 31.79031 
1 1 1  -34   12   32 o  121.664   14.870   51.524   7.4795   33.986   15.449   56.894   8.5481  100.517   27.600  142.812   11.077 -42.29512 29.73991 
1 1 1  -34   12   33 o   46.715   14.491  -0.7325   6.9738  -3.5379   9.1716   3.1126   10.737   41.419   18.815   52.011   22.044 -10.59112 28.98197 
1 1 1  -34   12   34 o  143.409   10.931   59.876   8.1596   61.210   10.347   57.680   13.270  146.897   13.035  139.921   17.551 6.975525 21.86176 
1 1 1  -34   12   35 o   57.101   14.537   8.9197   5.9861   4.1506   9.1203   12.529   7.9344   50.275   20.737   63.928   20.378 -13.65225 29.07398 
1 1 1  -34   12   36 o  317.089   6.3536  278.583   10.871  266.636   15.538  290.041   15.216  310.180   9.2701  323.999   8.6911 -13.81909 12.70710 
1 1 1  -34   12   37 o  103.699   18.726   33.039   10.107   33.039   10.107   0.0000   0.0000  103.699   18.726  ?   ?       ?      ? 
1 1 1  -34   12   38 o   51.381   14.768   5.3405   6.4398   3.3023   9.9402   6.8146   8.4537   49.995   21.201   52.766   20.565 -2.770939 29.53699 
1 1 1  -34   12   39 o   41.839   13.279  -2.5779   6.4450  -8.3840   9.7806   1.8782   8.5684   38.110   18.015   45.568   19.514 -7.457878 26.55787 
1 1 1  -34   12   40 o  117.111   10.853   40.272   6.8146   44.137   10.452   37.414   8.9878  121.556   15.912  112.667   14.763 8.888657 21.70562 
1 1 1  -34   12   41 o   42.624   13.583  -1.2583   6.5544  -3.2152   10.311   0.0684   8.4904   42.813   19.638   42.434   18.771 0.3791313 27.16576 
1 1 1  -34   12   42 o   69.541   16.625   14.763   7.9201   6.4918   10.563   25.383   11.970   54.166   22.327   84.915   24.640 -30.74957 33.25073 
1 1 1  -34   12   43 o  120.413   16.361   46.939   10.466   79.482   16.177   23.514   13.725  160.443   18.659   80.383   26.881 80.06019 32.72260 
1 1 1  -34   12   44 o   75.021   18.854   21.480   9.4600   23.739   15.038   20.000   12.170   76.935   27.966   73.106   25.295 3.829529 37.70874 
1 1 1  -34   12   45 o   44.083   14.594  -2.2147   7.6049   1.1041   14.864  -3.3915   8.8511   50.121   23.200   38.046   17.710 12.07552 29.18705 
1 1 1  -34   12   46 o   54.439   17.248   4.2860   10.394   8.7297   15.760   0.8651   13.828   58.601   25.763   50.277   22.940 8.323692 34.49603 
1 1 1  -34   12   47 o   62.857   18.102   15.582   9.9457   10.187   15.808   19.117   12.795   57.910   25.615   67.804   25.584 -9.893753 36.20327 
1 1 1  -34   13    1 o  105.374   10.627   30.778   6.0359   32.966   8.9346   28.941   8.1864  108.767   15.202  101.982   14.855 6.785507 21.25491 
1 1 1  -34   13    2 o   70.499   14.953   14.601   6.1565   12.649   9.5290   16.000   8.0659   67.266   22.396   73.733   19.818 -6.467278 29.90562 
1 1 1  -34   13    3 o  116.312   10.594   37.620   6.5143   37.838   10.341   37.477   8.3878  116.236   16.464  116.389   13.337 -0.1526871 21.18818 
1 1 1  -34   13    4 o   59.643   14.805   6.4032   6.1616   16.802   10.271   0.5563   7.7014   75.643   23.047   43.643   18.590 32.00043 29.60989 
1 1 1  -34   13    5 o   76.726   14.569   18.211   6.6930   7.6869   10.523   25.360   8.6735   59.933   23.059   93.520   17.814 -33.58688 29.13860 
1 1 1  -34   13    6 o   63.947   12.890   5.1745   5.5461   25.563   9.9166  -4.1057   6.6903   93.097   20.286   34.796   15.908 58.30104 25.77905 
1 1 1  -34   13    7 o  154.603   7.7616   66.310   6.3232   62.334   9.9488   69.004   8.1901  150.371   12.244  158.834   9.5424 -8.463470 15.52323 
1 1 1  -34   13    8 o  189.993   6.6811   98.426   6.7141  100.131   10.684   97.313   8.6316  191.122   10.345  188.864   8.4578 2.258118 13.36229 
1 1 1  -34   13    9 o  255.802   6.1850  179.805   8.4209  171.408   12.911  186.022   11.109  250.317   9.5451  261.286   7.8681 -10.96979 12.36998 
1 1 1  -34   13   10 o  138.040   8.4084   52.935   6.0656   50.643   9.8001   54.358   7.7225  135.238   13.410  140.842   10.147 -5.604218 16.81671 
1 1 1  -34   13   11 f   88.053   12.332   23.011   6.3559   3.7312   8.8630   43.423   9.1198   50.909   20.654  125.197   13.480 -74.28844 24.66362 
1 1 1  -34   13   12 o  129.390   8.9678   46.779   6.0737   44.008   9.7222   48.552   7.7783  125.823   14.299  132.957   10.826 -7.134598 17.93563 
1 1 1  -34   13   13 o  134.644   9.9074   50.492   6.5945   50.000   12.000   50.705   7.8932  133.415   16.645  135.872   10.751 -2.457382 19.81482 
1 1 1  -34   13   14 o  127.002   9.3592   45.912   6.0914   40.403   10.016   49.146   7.6735  120.226   15.418  133.778   10.615 -13.55215 18.71843 
1 1 1  -34   13   15 o  129.298   9.1285   48.368   6.0088   38.845   9.7038   54.291   7.6523  117.894   15.232  140.701   10.065 -22.80688 18.25709 
1 1 1  -34   13   16 o   44.625   13.327  -1.1460   5.4609   6.1695   9.2812  -5.0197   6.7537   55.318   21.551   33.932   15.682 21.38571 26.65338 
1 1 1  -34   13   17 o   97.223   11.468   26.775   5.7641   27.863   9.1700   26.065   7.4112   97.745   18.026   96.700   14.183 1.045120 22.93656 
1 1 1  -34   13   18 o   69.723   17.931   12.192   9.6075  -1.7376   16.035   19.993   12.000   58.204   25.769   81.242   24.941 -23.03780 35.86245 
1 1 1  -34   13   19 f  166.962   13.025   82.836   11.001   69.009   18.124   90.901   13.842  153.616   21.834  180.307   14.207 -26.69054 26.04944 
1 1 1  -34   13   20 o  141.797   10.304   55.327   7.8149   46.570   10.308   67.162   11.984  128.766   14.815  154.828   14.324 -26.06186 20.60706 
1 1 1  -34   13   21 o  199.580   6.5874  108.337   6.9736  114.547   11.094  104.281   8.9665  204.001   10.064  195.159   8.5025 8.841949 13.17480 
1 1 1  -34   13   22 o  121.223   9.0975   40.360   5.8350   43.754   9.3941   38.229   7.4454  125.005   13.907  117.441   11.732 7.564247 18.19498 
1 1 1  -34   13   23 o  136.237   8.3436   50.157   6.0192   58.248   9.7599   45.190   7.6465  144.658   12.486  127.817   11.071 16.84065 16.68715 
1 1 1  -34   13   24 o   98.273   11.560   27.954   5.8388   27.520   9.2733   28.239   7.5155   96.269   18.498  100.277   13.870 -4.007706 23.12053 
1 1 1  -34   13   25 o   50.203   13.898   5.0552   5.5587   1.9381   8.7292   7.1814   7.2095   47.292   19.951   53.115   19.355 -5.822712 27.79683 
1 1 1  -34   13   26 o  109.923   10.344   33.693   6.0397   36.937   9.6185   31.581   7.7604  113.872   15.632  105.973   13.552 7.899361 20.68814 
1 1 1  -34   13   27 o   43.305   13.322  -0.2615   5.7283   1.0251   8.9838  -1.1429   7.4360   46.570   19.963   40.040   17.646 6.530266 26.64417 
1 1 1  -34   13   28 o  121.053   9.6065   39.830   6.1703   50.358   9.8985   33.138   7.8911  133.626   13.708  108.480   13.462 25.14661 19.21303 
1 1 1  -34   13   29 o  142.027   8.5039   53.940   6.3797   71.324   10.357   43.310   8.0987  159.658   12.004  124.397   12.048 35.26107 17.00772 
1 1 1  -34   13   30 o  100.611   11.543   28.318   6.1446   33.966   10.010   24.904   7.7835  108.068   17.142   93.153   15.463 14.91471 23.08539 
1 1 1  -34   13   31 o   55.413   13.961   7.0211   6.0556  -2.4237   9.1583   14.358   8.0720   42.569   19.118   68.258   20.351 -25.68820 27.92237 
1 1 1  -34   13   32 o   45.043   14.369  -1.2736   6.7295 -11.7973   14.618   1.5563   7.5805   46.484   21.989   43.603   18.504 2.880417 28.73871 
1 1 1  -34   13   33 f  117.914   15.318   47.921   7.7674   34.527   15.825   52.172   8.9153   99.817   28.131  136.011   12.130 -36.19347 30.63504 
1 1 1  -34   13   34 o  171.038   9.9688   84.255   8.8607   85.935   11.197   81.441   14.493  174.729   11.859  167.347   16.027 7.381592 19.93766 
1 1 1  -34   13   35 o  122.417   12.256   43.764   7.9649   41.873   10.267   46.622   12.622  119.980   15.837  124.854   18.708 -4.874557 24.51114 
1 1 1  -34   13   36 o   59.779   14.758   10.440   6.2190   4.7084   9.4300   14.852   8.2732   51.151   21.091   68.407   20.650 -17.25660 29.51695 
1 1 1  -34   13   37 o  157.378   8.6403   71.128   7.2238   65.753   10.997   75.208   9.5806  151.262   13.454  163.495   10.844 -12.23351 17.28062 
1 1 1  -34   13   38 o   75.156   14.939   18.862   6.7330   11.055   10.124   25.053   9.0158   61.197   22.824   89.115   19.282 -27.91816 29.87883 
1 1 1  -34   13   39 o  142.303   9.5519   58.170   7.2444   64.172   11.406   54.112   9.3789  147.751   14.287  136.855   12.683 10.89626 19.10385 
1 1 1  -34   13   40 o   50.817   14.849   5.3982   6.6184   4.2344   10.108   6.2715   8.7565   50.350   21.367   51.284   20.626 -0.9335785 29.69819 
1 1 1  -34   13   41 o   48.128   15.312  -0.6220   8.2882   0.9052   10.726  -2.8851   13.057   47.890   21.146   48.366   22.153 -0.4757881 30.62467 
1 1 1  -34   13   42 o   44.014   14.717 -13.3476   9.2801   1.2948   14.186 -24.3018   12.270   53.501   23.927   34.528   17.142 18.97296 29.43351 
1 1 1  -34   13   43 o   55.781   16.904   5.5247   9.6242  -3.9730   13.804   14.509   13.426   47.157   22.007   64.404   25.664 -17.24693 33.80750 
1 1 1  -34   13   44 o   37.288   12.641  -8.0793   7.2017  -7.5023   11.103  -8.4984   9.4623   39.184   18.713   35.391   17.001 3.792995 25.28264 
1 1 1  -34   13   45 o   78.412   19.346   26.156   10.468   19.993   16.800   30.068   13.385   69.887   28.405   86.937   26.271 -17.04952 38.69112 
1 1 1  -34   13   46 o   63.847   18.869   16.602   10.849   14.917   17.785   17.601   13.691   62.389   27.399   65.304   25.950 -2.915104 37.73767 
1 1 1  -34   14    1 f   76.776   14.338   18.137   6.3633   10.018   9.7792   24.099   8.3800   62.543   22.580   91.010   17.677 -28.46736 28.67647 
1 1 1  -34   14    2 o  183.938   7.9797   92.946   7.8466   94.189   12.037   92.027   10.347  184.770   12.056  183.107   10.458 1.663620 15.95936 
1 1 1  -34   14    3 o  180.694   12.604   90.248   12.307   90.248   12.307   0.0000   0.0000  180.694   12.604  ?   ?       ?      ? 
1 1 1  -34   14    4 o   45.297   13.043   1.6227   5.4144  -5.6478   8.6392   6.3257   6.9483   38.938   17.902   51.656   18.974 -12.71835 26.08661 
1 1 1  -34   14    5 o  224.502   6.4110  138.461   7.6093  134.458   11.979  141.168   9.8522  221.480   10.009  227.524   8.0134 -6.043839 12.82204 
1 1 1  -34   14    6 f   65.721   14.342   11.342   5.5046   17.253   9.2372   8.0863   6.8547   76.225   21.496   55.217   18.991 21.00804 28.68369 
1 1 1  -34   14    7 o  212.775   6.5503  122.558   7.3851  130.310   11.801  117.569   9.4682  218.024   10.017  207.526   8.4432 10.49866 13.10067 
1 1 1  -34   14    8 o   53.546   14.441   6.0155   5.6880   7.4433   9.1152   5.1050   7.2790   57.203   21.591   49.890   19.182 7.313473 28.88175 
1 1 1  -34   14    9 f   76.552   14.067   17.513   5.7908   16.164   9.3629   18.350   7.3694   73.939   21.889   79.164   17.674 -5.224907 28.13368 
1 1 1  -34   14   10 o  196.864   11.041  106.622   11.745   0.0000   0.0000  106.622   11.745  ?   ?   196.864   11.041      ?      ? 
1 1 1  -34   14   11 o   50.644   14.241   3.4747   5.8047   8.0792   9.3135   0.5498   7.4228   58.512   21.878   42.777   18.236 15.73503 28.48141 
1 1 1  -34   14   12 o  176.797   8.2172   79.965   7.2230  102.590   13.756   71.352   8.4871  192.266   13.240  161.327   9.7356 30.93881 16.43441 
1 1 1  -34   14   13 o   45.930   13.053   0.8177   5.7591 -11.2913   9.4161   8.0544   7.2793   36.306   17.309   55.554   19.544 -19.24776 26.10686 
1 1 1  -34   14   14 o   49.152   14.001   2.4018   5.5378   8.1364   9.5684  -0.4866   6.7908   58.804   22.138   39.501   17.146 19.30334 28.00130 
1 1 1  -34   14   15 f   60.543   14.378   10.325   5.5413   7.7961   9.2041   11.763   6.9400   57.628   21.709   63.458   18.859 -5.829155 28.75645 
1 1 1  -34   14   16 o   41.673   12.979  -1.0539   5.4544  -1.9080   9.2716  -0.6018   6.7450   44.212   19.583   39.133   17.037 5.078651 25.95728 
1 1 1  -34   14   17 o  170.599   11.474   79.607   8.2802   87.005   19.260   77.930   9.1710  172.910   20.613  168.288   10.085 4.621780 22.94818 
1 1 1  -34   14   18 o  186.061   11.579   95.126   11.272  110.473   18.925   86.689   14.032  196.516   17.822  175.607   14.787 20.90924 23.15785 
1 1 1  -34   14   19 o   68.278   16.460   9.7062   9.6962 -20.9167   16.817   24.955   11.867   46.806   22.530   89.750   24.003 -42.94397 32.92039 
1 1 1  -34   14   20 o   71.462   13.194   11.446   5.9327   29.382   9.8186   1.1312   7.4456   99.548   18.945   43.377   18.370 56.17049 26.38848 
1 1 1  -34   14   21 o  124.525   9.6339   45.420   6.1288   35.622   9.7088   51.911   7.9023  111.985   16.044  137.065   10.669 -25.07987 19.26779 
1 1 1  -34   14   22 o  255.442   6.2785  178.842   8.5512  181.548   13.253  176.911   11.193  256.766   9.5521  254.117   8.1509 2.648300 12.55708 
1 1 1  -34   14   23 o   50.625   14.083   3.7455   5.6733   9.6034   9.1828   0.1294   7.2149   60.076   21.851   41.175   17.773 18.90072 28.16646 
1 1 1  -34   14   24 o   50.085   14.047   4.8463   5.5917   4.5269   8.8230   5.0606   7.2288   51.126   20.654   49.044   19.044 2.082485 28.09388 
1 1 1  -34   14   25 o   75.033   12.671   14.338   5.7098   29.652   9.1838   4.6896   7.2900  101.601   16.728   48.466   19.038 53.13522 25.34269 
1 1 1  -34   14   26 f   95.409   12.589   29.089   6.0458   17.438   9.3314   37.518   7.9370   75.137   21.742  115.682   12.697 -40.54549 25.17791 
1 1 1  -34   14   27 o  123.017   9.7373   40.753   6.3161   54.570   10.310   32.453   7.9911  138.925   13.734  107.108   13.807 31.81609 19.47454 
1 1 1  -34   14   28 o   74.112   14.173   15.370   5.8104   24.595   9.6867   10.186   7.2619   89.171   20.528   59.052   19.546 30.11954 28.34518 
1 1 1  -34   14   29 o  102.907   11.416   29.806   6.1095   37.676   9.8325   24.856   7.7975  114.249   15.927   91.564   16.360 22.68419 22.83209 
1 1 1  -34   14   30 o  105.379   11.919   34.221   6.1519   27.849   10.126   37.949   7.7451   94.712   20.389  116.046   12.351 -21.33467 23.83815 
1 1 1  -34   14   31 o   71.861   14.425   16.678   6.2756   8.9420   9.6855   22.275   8.2390   58.427   22.207   85.294   18.415 -26.86733 28.84941 
1 1 1  -34   14   32 o   67.031   14.676   14.026   6.3092   6.8926   9.5806   19.488   8.3837   55.028   21.758   79.034   19.700 -24.00577 29.35153 
1 1 1  -34   14   33 o   89.523   16.699   27.331   7.5487   20.448   16.984   29.025   8.4267   78.966   29.540  100.080   15.582 -21.11380 33.39782 
1 1 1  -34   14   34 o  198.731   10.447  110.604   9.1025  120.473   20.100  108.059   10.209  200.363   18.565  197.099   9.5858 3.264236 20.89331 
1 1 1  -34   14   35 o   63.929   17.249   11.287   8.0466   8.9239   10.112   15.367   13.287   58.103   22.534   69.754   26.121 -11.65097 34.49790 
1 1 1  -34   14   36 o  121.997   12.847   44.143   8.3902   39.354   10.991   50.833   12.990  114.478   17.767  129.516   18.560 -15.03841 25.69317 
1 1 1  -34   14   37 o   57.470   15.486   9.3202   6.6853   7.2226   10.549   10.728   8.6421   55.526   22.531   59.415   21.252 -3.888912 30.97261 
1 1 1  -34   14   38 o   40.687   12.733  -6.1448   6.5247 -22.2718   9.8710   6.3688   8.6951   30.055   14.994   51.320   20.584 -21.26493 25.46617 
1 1 1  -34   14   39 o  121.332   10.918   43.606   7.0889   45.758   10.888   42.022   9.3396  123.228   16.351  119.435   14.471 3.792892 21.83524 
1 1 1  -34   14   40 o   75.466   17.450   19.250   8.3767   13.570   11.337   26.081   12.431   65.097   24.177   85.835   25.169 -20.73795 34.90029 
1 1 1  -34   14   41 o   46.390   15.347  -8.3325   9.6825   0.4581   14.250 -15.8716   13.197   52.665   23.732   40.116   19.466 12.54916 30.69436 
1 1 1  -34   14   42 o   65.948   18.335   16.164   9.7376   11.180   13.597   21.412   13.952   59.534   24.996   72.363   26.832 -12.82891 36.67097 
1 1 1  -34   14   43 o   46.353   13.398  -2.4494   7.0882 -25.6591   10.922   14.441   9.3169   30.168   15.154   62.537   22.099 -32.36909 26.79574 
1 1 1  -34   14   44 o   46.394   15.601  -9.1238   10.318   2.4189   16.406 -16.6757   13.270   54.126   24.806   38.662   18.926 15.46416 31.20104 
1 1 1  -34   14   45 o   73.381   20.394   25.756   11.668   29.369   18.469   23.356   15.052   75.367   30.080   71.394   27.548 3.973320 40.78795 
1 1 1  -34   15    1 o   52.992   14.090   6.4098   5.3508   6.3976   8.7968   6.4170   6.7413   54.680   21.071   51.303   18.713 3.376549 28.18055 
1 1 1  -34   15    2 o  157.910   7.8413   69.339   6.4854   66.182   10.412   71.341   8.2900  154.530   12.469  161.290   9.5117 -6.759781 15.68256 
1 1 1  -34   15    3 o  154.717   8.2513   68.179   6.5619   58.546   10.638   74.097   8.3371  145.018   13.575  164.415   9.3839 -19.39680 16.50264 
1 1 1  -34   15    4 o  189.977   6.9926   99.196   6.9853   98.561   11.229   99.597   8.9214  189.128   10.988  190.827   8.6518 -1.698715 13.98522 
1 1 1  -34   15    5 o   95.603   12.204   26.337   5.8947   26.210   9.8308   26.408   7.3657   93.901   19.988   97.305   14.009 -3.403137 24.40795 
1 1 1  -34   15    6 o  246.203   6.3515  166.293   8.3281  163.935   12.865  167.994   10.927  244.412   9.7407  247.994   8.1538 -3.581833 12.70298 
1 1 1  -34   15    7 f   75.530   14.013   16.114   5.6953   21.688   9.3244   12.796   7.1930   85.077   20.520   65.983   19.088 19.09385 28.02516 
1 1 1  -34   15    8 o  172.545   7.5360   83.030   6.8579   76.594   10.696   87.522   8.9363  166.395   11.896  178.695   9.2546 -12.29979 15.07202 
1 1 1  -34   15    9 o   81.422   15.192   20.046   6.7734   19.354   9.9966   20.633   9.2098   79.974   22.295   82.869   20.644 -2.894432 30.38493 
1 1 1  -34   15   10 o  275.859   10.521  209.572   15.684   0.0000   0.0000  209.572   15.684  ?   ?   275.859   10.521      ?      ? 
1 1 1  -34   15   11 o  110.101   11.835   31.082   6.5178   47.680   11.851   23.884   7.8040  129.587   16.924   90.614   16.548 38.97300 23.66977 
1 1 1  -34   15   12 o   64.738   15.663   9.2004   6.2706   19.273   11.691   5.1323   7.4297   79.550   24.651   49.926   19.329 29.62424 31.32511 
1 1 1  -34   15   13 o   84.435   13.653   21.804   6.1022   17.195   9.9442   24.588   7.7284   75.460   22.608   93.410   15.311 -17.94980 27.30503 
1 1 1  -34   15   14 o  112.414   11.374   38.047   6.1773   30.559   10.350   42.190   7.6989  101.382   19.602  123.447   11.541 -22.06538 22.74716 
1 1 1  -34   15   15 o   95.649   12.806   27.648   6.1308   23.317   10.179   30.112   7.6800   87.531   21.643  103.767   13.697 -16.23571 25.61263 
1 1 1  -34   15   16 o  103.538   16.959   34.523   7.3863   28.626   18.555   35.634   8.0517   94.083   31.249  112.992   13.187 -18.90910 33.91737 
1 1 1  -34   15   17 o  157.788   14.654   77.676   11.125   59.234   18.262   88.559   14.028  138.187   25.391  177.388   14.635 -39.20059 29.30725 
1 1 1  -34   15   18 o  116.719   17.620   41.590   10.386   46.081   17.596   39.189   12.867  119.745   27.738  113.694   21.735 6.051369 35.23962 
1 1 1  -34   15   19 o  126.412   9.6567   45.172   6.4315   43.395   10.171   46.356   8.3022  123.752   15.209  129.072   11.903 -5.320358 19.31341 
1 1 1  -34   15   20 o   60.871   14.892   10.401   5.8555   9.8187   9.6594   10.739   7.3625   60.975   22.376   60.767   19.657 0.2075272 29.78385 
1 1 1  -34   15   21 o   60.124   14.178   10.447   5.7204   4.2796   9.3483   14.139   7.2325   51.736   21.127   68.511   18.915 -16.77534 28.35661 
1 1 1  -34   15   22 o   49.975   13.881   4.7555   5.6992  -0.9307   9.4029   8.0574   7.1653   45.180   19.880   54.770   19.377 -9.590714 27.76131 
1 1 1  -34   15   23 o   77.674   13.367   15.698   5.8460   31.249   9.7899   7.0797   7.2880  102.444   18.359   52.903   19.433 49.54091 26.73365 
1 1 1  -34   15   24 o  143.277   8.7727   58.766   6.5089   52.425   10.493   62.732   8.2985  136.034   14.274  150.521   10.203 -14.48645 17.54544 
1 1 1  -34   15   25 o  185.047   7.2855   95.604   7.1275   91.660   11.167   98.314   9.2584  181.269   11.401  188.825   9.0738 -7.555542 14.57109 
1 1 1  -34   15   26 o   75.122   14.423   16.561   5.9545   22.817   9.6123   12.666   7.5852   85.596   20.951   64.649   19.827 20.94716 28.84543 
1 1 1  -34   15   27 o   54.077   14.827   6.5276   6.0686   8.7020   9.7257   5.1413   7.7658   58.436   22.243   49.717   19.611 8.719215 29.65388 
1 1 1  -34   15   28 o   46.955   13.849   0.0226   6.0538   8.6717   9.6448  -5.6001   7.7765   58.132   22.145   35.778   16.636 22.35461 27.69791 
1 1 1  -34   15   29 o   91.378   13.214   26.745   6.2961   17.990   9.6731   33.181   8.2933   75.114   22.251  107.642   14.258 -32.52752 26.42733 
1 1 1  -34   15   30 o   38.508   12.570  -5.1361   5.9754  -2.9786   9.3956  -6.6014   7.7430   42.336   19.156   34.680   16.280 7.655712 25.13941 
1 1 1  -34   15   31 o   96.812   12.905   28.771   6.3862   25.733   10.178   30.744   8.2017   90.217   21.231  103.408   14.678 -13.19152 25.81063 
1 1 1  -34   15   32 f   54.391   15.059   7.0533   6.3860   5.4248   10.285   8.0751   8.1467   53.771   22.082   55.010   20.482 -1.238899 30.11859 
1 1 1  -34   15   33 o   51.449   15.000   4.8304   6.6434   5.0144   10.514   4.7081   8.5712   53.194   22.130   49.704   20.255 3.490505 30.00024 
1 1 1  -34   15   34 o   49.064   15.564   0.6640   7.1679  -2.7928   16.266   1.4971   7.9851   54.215   24.792   43.912   18.822 10.30236 31.12767 
1 1 1  -34   15   35 o   59.319   17.033   8.6304   7.6180   6.6712   16.482   9.1627   8.5907   61.848   26.779   56.789   21.055 5.058929 34.06520 
1 1 1  -34   15   36 o   53.642   16.312   4.0392   8.3572   1.4001   10.725   8.1194   13.335   48.283   21.239   59.000   24.762 -10.71769 32.62304 
1 1 1  -34   15   37 o  183.270   15.064   99.977   14.918   0.0000   0.0000   99.977   14.918  ?   ?   183.270   15.064      ?      ? 
1 1 1  -34   15   38 o   52.042   15.415   5.1473   7.2786   3.3030   11.275   6.4650   9.5304   51.268   22.173   52.816   21.421 -1.548283 30.83023 
1 1 1  -34   15   39 o   85.255   16.215   23.350   10.167  -3.3446   14.766   47.410   14.018   50.767   23.365  119.743   22.491 -68.97563 32.43058 
1 1 1  -34   15   40 o   91.032   18.280   30.203   9.8524   41.892   14.446   20.038   13.472  108.285   25.167   73.779   26.519 34.50568 36.56024 
1 1 1  -34   15   41 o   74.878   18.690   22.769   9.4656   31.847   14.743   16.403   12.346   85.099   27.835   64.656   24.949 20.44249 37.37961 
1 1 1  -34   15   42 o   81.998   15.543   25.399   7.1990   19.712   11.522   29.040   9.2203   71.011   24.610   92.986   18.992 -21.97520 31.08648 
1 1 1  -34   15   43 o   43.419   15.039 -13.2245   8.8002   0.9685   18.635 -17.2984   9.9835   54.894   25.601   31.944   15.788 22.95078 30.07786 
1 1 1  -34   15   44 o   62.875   18.733   13.436   10.742   29.122   17.706   4.3018   13.512   75.029   29.607   50.721   22.959 24.30815 37.46584 
1 1 1  -34   16    1 o  130.869   8.7317   45.006   6.0003   60.201   10.005   36.472   7.4984  147.109   12.587  114.628   12.106 32.48155 17.46337 
1 1 1  -34   16    2 o   98.887   11.044   26.907   5.7223   30.551   9.5391   24.858   7.1522  103.572   17.044   94.203   14.050 9.368469 22.08877 
1 1 1  -34   16    3 o  159.225   7.7815   69.998   6.5076   70.220   10.514   69.860   8.2856  159.015   12.236  159.434   9.6173 -0.4192200 15.56300 
1 1 1  -34   16    4 o   69.196   14.254   13.528   5.6905   19.095   8.9094   9.6928   7.3955   79.527   20.576   58.864   19.732 20.66270 28.50802 
1 1 1  -34   16    5 o  193.993   7.1994  102.994   7.3909  106.808   11.791  100.526   9.4855  196.586   11.100  191.400   9.1713 5.186569 14.39872 
1 1 1  -34   16    6 o   94.916   12.027   26.381   5.8369   24.507   9.3016   27.598   7.4967   90.554   19.579   99.278   13.974 -8.723816 24.05471 
1 1 1  -34   16    7 f  197.463   7.0644  107.368   7.3651  107.031   11.717  107.587   9.4701  196.817   11.017  198.108   8.8463 -1.291275 14.12889 
1 1 1  -34   16    8 o   39.576   12.898  -5.7945   6.3860  -7.2681   9.5421  -4.5991   8.5944   39.599   18.418   39.553   18.062 0.4621506E-01 25.79651 
1 1 1  -34   16    9 o  252.674   10.635  176.171   14.521   0.0000   0.0000  176.171   14.521  ?   ?   252.674   10.635      ?      ? 
1 1 1  -34   16   10 o   61.463   15.590   9.9683   6.3048   9.8896   11.135   10.005   7.6491   63.219   23.863   59.708   20.067 3.510239 31.17944 
1 1 1  -34   16   11 o  226.330   7.6527  144.364   8.6303  133.784   15.222  149.376   10.477  219.069   12.859  233.591   8.3002 -14.52144 15.30532 
1 1 1  -34   16   12 o   88.909   13.375   23.666   6.1061   22.982   9.7699   24.105   7.8221   86.967   21.022   90.851   16.543 -3.883919 26.75059 
1 1 1  -34   16   13 o  114.786   10.247   35.170   6.1359   44.759   10.485   30.177   7.5668  125.757   15.430  103.816   13.488 21.94088 20.49429 
1 1 1  -34   16   14 o  119.070   10.064   39.331   6.2892   42.306   10.335   37.581   7.9257  122.092   15.665  116.049   12.639 6.043144 20.12811 
1 1 1  -34   16   15 o  119.120   15.879   38.118   7.3847   51.194   19.171   35.840   8.0021  125.101   28.936  113.140   13.089 11.96171 31.75852 
1 1 1  -34   16   16 o   83.077   18.257   13.297   10.276   43.671   17.751  -2.0142   12.603  115.279   28.627   50.874   22.667 64.40492 36.51396 
1 1 1  -34   16   17 o   59.445   17.449   3.1241   10.279 -18.4707   18.307   13.065   12.421   50.193   23.987   68.697   25.348 -18.50409 34.89813 
1 1 1  -34   16   18 o  119.484   10.259   39.998   6.4714   42.191   10.420   38.621   8.2566  121.604   15.858  117.364   13.019 4.239235 20.51755 
1 1 1  -34   16   19 o   86.535   13.905   22.777   6.1032   22.227   10.485   23.059   7.5057   84.459   22.551   88.610   16.275 -4.151566 27.81041 
1 1 1  -34   16   20 o  172.142   7.8156   82.689   7.1146   80.303   11.180   84.313   9.2233  169.532   12.204  174.753   9.7673 -5.220398 15.63119 
1 1 1  -34   16   21 o  143.023   8.9158   57.537   6.6984   56.501   10.745   58.196   8.5667  141.329   14.070  144.717   10.955 -3.388062 17.83166 
1 1 1  -34   16   22 o   85.439   13.431   23.407   6.1579   14.712   9.7226   29.232   7.9574   69.472   22.598  101.405   14.522 -31.93317 26.86197 
1 1 1  -34   16   23 o  101.321   11.963   29.356   6.3371   34.502   10.086   26.000   8.1454  108.973   17.129   93.669   16.705 15.30408 23.92630 
1 1 1  -34   16   24 o  110.040   11.459   35.777   6.3703   33.547   10.333   37.144   8.0908  105.395   18.835  114.686   13.056 -9.290764 22.91722 
1 1 1  -34   16   25 o   32.581   15.511  -8.3867   7.5028   0.0000   0.0000  -8.3867   7.5028  ?   ?    32.581   15.511      ?      ? 
1 1 1  -34   16   26 o   48.660   14.197   3.6915   5.9559   3.4579   9.4562   3.8451   7.6679   50.069   20.922   47.251   19.196 2.817772 28.39385 
1 1 1  -34   16   27 o   54.246   14.409   7.1680   6.0553   1.4404   9.3766   11.265   7.9308   47.216   20.321   61.276   20.433 -14.05983 28.81773 
1 1 1  -34   16   28 o  100.293   12.479   30.342   6.4124   28.748   10.164   31.397   8.2648   96.082   20.216  104.504   14.636 -8.421928 24.95797 
1 1 1  -34   16   29 o  133.601   9.4266   50.032   6.7304   55.815   10.501   46.000   8.7683  139.761   13.904  127.441   12.733 12.32041 18.85315 
1 1 1  -34   16   30 o   60.631   15.281   10.747   6.2728   10.124   9.7925   11.181   8.1688   60.236   22.451   61.027   20.737 -0.7913399 30.56202 
1 1 1  -34   16   31 o   53.006   14.911   5.9750   6.6828  -0.0769   10.652   9.9036   8.5819   47.551   21.030   58.462   21.146 -10.91048 29.82273 
1 1 1  -34   16   32 o   51.210   14.885   4.8825   6.5701   5.8610   9.9543   4.1272   8.7457   53.378   21.799   49.042   20.275 4.336205 29.77033 
1 1 1  -34   16   33 o   64.318   15.354   13.241   6.5232   8.4978   10.660   16.080   8.2475   57.855   22.927   70.780   20.428 -12.92483 30.70805 
1 1 1  -34   16   34 o   60.868   15.885   11.089   6.7845   13.294   10.775   9.6405   8.7332   64.497   23.638   57.240   21.228 7.257301 31.77026 
1 1 1  -34   16   35 o   47.534   15.122   0.2713   7.8102 -18.3716   17.895   4.6581   8.6806   46.354   22.534   48.714   20.174 -2.359020 30.24471 
1 1 1  -34   16   36 o   61.296   18.130   5.6539   8.4779   22.126   18.315   1.1618   9.5643   76.634   30.152   45.959   20.140 30.67521 36.26009 
1 1 1  -34   16   37 o   61.092   24.294   10.540   12.008   10.540   12.008   0.0000   0.0000   61.092   24.294  ?   ?       ?      ? 
1 1 1  -34   16   38 o   58.188   24.880   6.8131   13.890   6.8131   13.890   0.0000   0.0000   58.188   24.880  ?   ?       ?      ? 
1 1 1  -34   16   39 o   55.507   16.999   5.1605   9.4401   14.403   14.647  -1.4068   12.347   64.229   26.361   46.785   21.470 17.44461 33.99804 
1 1 1  -34   16   40 o   46.402   15.089  -0.9559   7.9203   7.2027   14.297  -4.5682   9.5135   54.439   24.206   38.364   18.021 16.07534 30.17756 
1 1 1  -34   16   41 o   96.353   14.897   32.575   7.5150   28.928   11.302   35.465   10.061   88.820   23.270  103.887   18.606 -15.06721 29.79387 
1 1 1  -34   16   42 o   58.184   17.629   10.109   8.5811   12.581   19.448   9.5108   9.5623   61.814   27.802   54.554   21.684 7.259987 35.25819 
1 1 1  -34   16   43 o   48.406   16.171  -1.4083   11.101  -7.1329   18.154   2.0104   14.029   47.734   23.083   49.077   22.654 -1.342968 32.34272 
1 1 1  -34   17    1 o  112.454   10.158   35.514   6.0733   36.550   9.5252   34.804   7.8836  113.427   15.541  111.482   13.087 1.945122 20.31692 
1 1 1  -34   17    2 o   44.143   12.762   0.1749   5.5918 -11.3133   9.0256   7.3316   7.1237   34.943   16.737   53.342   19.270 -18.39862 25.52397 
1 1 1  -34   17    3 o  114.616   12.218   36.610   7.5674   0.0000   0.0000   36.610   7.5674  ?   ?   114.616   12.218      ?      ? 
1 1 1  -34   17    4 o   68.136   14.840   13.582   5.8875   15.703   9.4673   12.244   7.5181   71.987   22.163   64.284   19.743 7.703445 29.68091 
1 1 1  -34   17    5 o  144.397   8.6244   58.767   6.5270   55.086   10.394   61.164   8.3871  140.032   13.736  148.763   10.433 -8.730255 17.24890 
1 1 1  -34   17    6 o  121.976   9.8422   43.749   6.1628   32.703   9.4452   51.938   8.1324  107.043   16.329  136.910   10.992 -29.86719 19.68443 
1 1 1  -34   17    7 o   84.775   13.500   21.677   5.9509   21.187   9.3771   22.007   7.7002   83.239   20.883   86.310   17.115 -3.070580 26.99991 
1 1 1  -34   17    8 o   81.596   14.528   19.417   6.7282   30.691   10.194   10.716   8.9557  101.246   19.339   61.947   21.684 39.29860 29.05520 
1 1 1  -34   17    9 o   53.732   14.522   3.9910   6.0050   13.118   10.045  -1.0840   7.4907   67.150   22.995   40.314   17.742 26.83579 29.04332 
1 1 1  -34   17   10 o   84.277   15.047   20.916   6.5141   24.797   11.529   19.096   7.8952   88.903   23.603   79.650   18.669 9.253860 30.09411 
1 1 1  -34   17   11 o   60.671   14.996   9.8063   5.9501   12.904   9.5718   7.8557   7.5961   66.417   22.447   54.926   19.890 11.49018 29.99156 
1 1 1  -34   17   12 o  185.658   7.4763   96.905   7.3002   88.158   11.416  102.956   9.4955  177.872   11.877  193.444   9.0839 -15.57211 14.95270 
1 1 1  -34   17   13 o   70.766   15.006   15.257   6.1319   14.474   9.7914   15.761   7.8653   69.452   22.682   72.080   19.653 -2.628090 30.01200 
1 1 1  -34   17   14 o  159.201   12.255   62.845   8.0136   90.586   20.525   57.856   8.7044  174.066   21.821  144.337   11.160 29.72966 24.50976 
1 1 1  -34   17   15 o   85.930   20.238   23.131   10.519   26.059   18.537   21.741   12.774   89.107   31.197   82.753   25.788 6.353531 40.47582 
1 1 1  -34   17   16 o  137.036   17.044   55.649   11.685   66.216   20.531   50.586   14.211  143.170   27.538  130.901   20.091 12.26892 34.08824 
1 1 1  -34   17   17 f  106.121   11.393   31.637   6.4246   35.892   10.264   28.895   8.2382  111.509   17.034  100.733   15.135 10.77603 22.78595 
1 1 1  -34   17   18 o   66.953   14.956   13.547   6.0059   13.220   9.3897   13.774   7.8131   66.558   22.234   67.348   20.009 -0.7902527 29.91155 
1 1 1  -34   17   19 o   44.946   13.738   0.5994   6.0783  -1.5150   9.6000   2.0142   7.8530   44.735   19.866   45.156   18.980 -0.4204636 27.47508 
1 1 1  -34   17   20 o  107.781   11.161   31.899   6.3274   40.475   10.535   27.059   7.9138  118.303   16.479   97.260   15.058 21.04339 22.32289 
1 1 1  -34   17   21 o  101.332   12.738   30.731   6.4970   29.784   10.800   31.268   8.1334   97.926   21.037  104.738   14.371 -6.811966 25.47676 
1 1 1  -34   17   22 o  155.350   8.5129   67.315   6.9548   69.925   11.283   65.715   8.8322  157.112   13.290  153.588   10.642 3.524048 17.02583 
1 1 1  -34   17   23 o   38.401   12.644  -5.9598   6.2434  -7.9762   10.132  -4.7257   7.9269   39.780   18.658   37.022   17.068 2.758537 25.28701 
1 1 1  -34   17   24 o  105.482   11.836   32.778   6.4427   33.329   10.211   32.413   8.3045  104.652   18.745  106.313   14.456 -1.661530 23.67128 
1 1 1  -34   17   25 o   64.225   15.224   11.196   6.2409   18.531   10.204   6.8118   7.8884   75.910   22.937   52.541   20.024 23.36870 30.44825 
1 1 1  -34   17   26 o   61.809   14.622   11.518   6.2454   3.5034   10.256   16.242   7.8736   51.420   21.656   72.198   19.654 -20.77850 29.24455 
1 1 1  -34   17   27 o  147.023   9.0110   59.831   6.9918   67.894   11.422   54.999   8.8422  154.223   13.705  139.824   11.703 14.39893 18.02197 
1 1 1  -34   17   28 o   51.521   14.544   3.6899   6.2639   11.319   9.9471  -1.3233   8.0634   62.251   22.727   40.792   18.156 21.45934 29.08888 
1 1 1  -34   17   29 o  162.040   8.5020   72.166   7.3113   87.337   11.777   62.652   9.3260  175.197   12.440  148.882   11.592 26.31473 17.00410 
1 1 1  -34   17   30 o   42.396   13.484  -2.0368   6.3238  -0.2117   10.047  -3.2343   8.1379   46.119   20.409   38.673   17.627 7.446079 26.96771 
1 1 1  -34   17   31 o   42.051   13.477  -2.6969   6.6239  -6.1863   10.391  -0.3085   8.5969   41.194   19.180   42.907   18.939 -1.712872 26.95475 
1 1 1  -34   17   32 o  100.775   14.241   32.020   7.3456   35.883   11.782   29.564   9.3951  104.616   21.559   96.934   18.613 7.682060 28.48237 
1 1 1  -34   17   33 o   40.228   13.005  -4.3557   6.6734 -14.3822   10.876   1.6979   8.4512   36.122   17.561   44.333   19.185 -8.210976 26.00929 
1 1 1  -34   17   34 f   55.693   15.326   8.5204   6.8031   3.5852   11.213   11.395   8.5583   51.319   22.154   60.066   21.185 -8.746479 30.65281 
1 1 1  -34   17   35 o   64.572   15.351   13.139   7.2827   1.6012   11.465   20.944   9.4292   49.841   21.941   79.303   21.475 -29.46231 30.70172 
1 1 1  -34   17   36 o   63.861   25.628   11.926   13.487   0.0000   0.0000   11.926   13.487  ?   ?    63.861   25.628      ?      ? 
1 1 1  -34   17   37 o   33.888   16.955 -28.7613   13.023   0.0000   0.0000 -28.7613   13.023  ?   ?    33.888   16.955      ?      ? 
1 1 1  -34   17   38 f   74.564   27.667   25.000   14.839   25.000   14.839   0.0000   0.0000   74.564   27.667  ?   ?       ?      ? 
1 1 1  -34   17   39 o   69.280   16.972   12.361   9.0420  -2.7407   11.497   36.847   14.639   43.836   20.330   94.724   27.181 -50.88836 33.94328 
1 1 1  -34   17   40 o   64.180   15.899   14.978   7.3455   7.4658   11.624   19.972   9.4777   54.077   22.929   74.283   22.030 -20.20588 31.79747 
1 1 1  -34   17   41 o   51.583   15.023   7.3763   7.3293  -2.0897   12.283   12.611   9.1337   44.496   20.763   58.671   21.719 -14.17516 30.04668 
1 1 1  -34   18    1 f   90.143   12.297   23.009   5.8105   30.179   9.1581   18.178   7.5172  102.548   16.527   77.737   18.214 24.81067 24.59438 
1 1 1  -34   18    2 o  110.244   10.646   34.259   6.2923   36.631   9.6277   32.491   8.3136  113.303   15.725  107.185   14.354 6.117989 21.29121 
1 1 1  -34   18    3 o  237.288   10.301  155.783   13.208  155.783   13.208   0.0000   0.0000  237.288   10.301  ?   ?       ?      ? 
1 1 1  -34   18    4 o  209.624   10.912  121.923   12.361  121.923   12.361   0.0000   0.0000  209.624   10.912  ?   ?       ?      ? 
1 1 1  -34   18    5 f  132.525   9.3914   47.958   6.6250   58.199   10.524   41.236   8.5265  143.812   13.543  121.239   13.015 22.57341 18.78272 
1 1 1  -34   18    6 o   48.201   13.944   3.4491   5.7943   0.7324   9.1689   5.2555   7.4765   46.592   20.073   49.810   19.360 -3.217377 27.88838 
1 1 1  -34   18    7 o  103.184   13.161   30.982   7.0813   40.847   10.663   23.198   9.4715  119.302   16.540   87.066   20.476 32.23575 26.32171 
1 1 1  -34   18    8 o  119.888   11.165   41.164   7.2072   37.980   10.307   44.212   10.082  115.004   16.585  124.772   14.954 -9.768585 22.33092 
1 1 1  -34   18    9 o   53.555   14.840   6.0683   6.3434   0.9550   10.776   8.7799   7.8471   50.168   21.687   56.942   20.264 -6.773846 29.68078 
1 1 1  -34   18   10 o  106.292   11.305   31.640   6.4103   36.923   10.099   28.076   8.2959  113.372   16.485   99.213   15.474 14.15895 22.60962 
1 1 1  -34   18   11 o   62.570   13.736   10.836   6.0444   0.0262   9.1528   19.197   8.0493   45.608   19.851   79.532   18.991 -33.92387 27.47273 
1 1 1  -34   18   12 o   59.696   13.670   9.5071   6.0013  -1.9894   9.4311   17.330   7.7796   43.935   19.589   75.456   19.071 -31.52068 27.33937 
1 1 1  -34   18   13 o   87.016   21.102   24.879   11.736   25.405   19.350   24.572   14.762   87.534   31.738   86.498   27.819 1.036118 42.20423 
1 1 1  -34   18   14 o  117.284   19.214   46.542   11.697   39.144   20.415   50.158   14.271  104.883   32.587  129.684   20.365 -24.80116 38.42732 
1 1 1  -34   18   15 o  110.442   15.546   39.082   8.7058   43.396   11.005   31.869   14.231  122.475   16.629   98.410   26.271 24.06543 31.09118 
1 1 1  -34   18   16 o   47.821   13.518  -3.2256   6.1243   12.756   9.8137 -13.4196   7.8377   65.624   22.715   30.018   14.663 35.60565 27.03613 
1 1 1  -34   18   17 o   82.263   14.259   20.149   6.2976   27.485   9.8677   15.107   8.1802   94.571   19.937   69.955   20.390 24.61610 28.51739 
1 1 1  -34   18   18 o   78.768   14.305   18.031   6.2381   27.959   9.9301   11.558   8.0176   95.313   19.922   62.222   20.535 33.09059 28.61066 
1 1 1  -34   18   19 o  110.423   11.224   34.978   6.6185   37.168   10.283   33.429   8.6477  112.884   16.858  107.962   14.823 4.922806 22.44849 
1 1 1  -34   18   20 o   45.747   13.941   0.2780   6.1142   4.5855   9.9741  -2.3151   7.7388   52.455   21.666   39.038   17.550 13.41701 27.88205 
1 1 1  -34   18   21 o   58.386   15.381   9.0256   6.3137   10.426   10.453   8.2216   7.9217   61.561   23.146   55.210   20.263 6.351017 30.76268 
1 1 1  -34   18   22 o  169.775   8.1962   82.384   7.3366   73.169   11.277   89.148   9.6605  160.556   12.998  178.995   9.9878 -18.43883 16.39231 
1 1 1  -34   18   23 o   65.550   15.010   11.805   6.2595   20.067   9.9186   6.3360   8.0694   79.117   22.262   51.983   20.139 27.13343 30.01965 
1 1 1  -34   18   24 o  125.996   10.306   43.340   6.8339   59.603   11.121   33.473   8.6625  144.197   14.272  107.795   14.872 36.40158 20.61208 
1 1 1  -34   18   25 o   93.353   14.359   26.770   6.8375   29.642   11.330   25.126   8.5749   96.049   22.264   90.657   18.137 5.391762 28.71706 
1 1 1  -34   18   26 o   68.591   15.744   15.138   6.6772   13.191   10.657   16.397   8.5674   65.543   23.584   71.639   20.863 -6.095551 31.48706 
1 1 1  -34   18   27 o   49.363   14.715   3.3661   6.5961   4.2894   10.398   2.7444   8.5327   51.989   21.845   46.738   19.722 5.250854 29.43048 
1 1 1  -34   18   28 o   52.182   14.894   3.7602   6.5631   11.834   10.616  -1.2345   8.3500   63.016   23.397   41.349   18.434 21.66738 29.78706 
1 1 1  -34   18   29 o   43.858   13.613  -0.6284   6.4755  -7.6766   10.237   4.0728   8.3608   39.607   18.633   48.110   19.851 -8.502926 27.22594 
1 1 1  -34   18   30 o   60.147   15.438   11.159   6.7776   5.6107   10.730   14.843   8.7424   53.211   22.265   67.083   21.391 -13.87157 30.87574 
1 1 1  -34   18   31 f   60.457   15.861   10.288   6.8945   17.108   11.056   5.9487   8.8192   70.119   24.119   50.795   20.604 19.32452 31.72165 
1 1 1  -34   18   32 o   81.853   14.058   23.182   7.2831   6.8463   11.076   35.626   9.6669   55.043   22.791  108.663   16.463 -53.62016 28.11517 
1 1 1  -34   18   33 o   51.588   15.486   4.3717   7.4228   4.0447   11.656   4.5949   9.6275   52.723   22.673   50.454   21.099 2.269096 30.97158 
1 1 1  -34   18   34 o   77.449   19.056   20.358   9.8278   29.797   15.419   13.899   12.754   88.811   28.417   66.086   25.396 22.72528 38.11199 
1 1 1  -34   18   35 o   49.822   15.992  -1.3077   9.3362   4.5968   14.051  -5.9752   12.493   55.255   24.308   44.388   20.786 10.86733 31.98373 
1 1 1  -34   18   36 o   74.247   16.255   20.883   9.4171  -1.3250   14.411   37.432   12.441   48.394   22.551  100.101   23.416 -51.70744 32.50931 
1 1 1  -34   18   37 o   54.187   17.469   3.2896   8.3599   17.401   20.901   0.6020   9.1214   65.677   29.231   42.698   19.135 22.97821 34.93709 
1 1 1  -34   18   38 o   47.863   15.253   1.6127   8.0359 -15.1892   18.240   5.6592   8.9515   46.521   22.646   49.204   20.441 -2.682755 30.50634 
1 1 1  -34   18   39 o   70.033   16.676   19.266   8.7668   30.094   11.687   5.3356   13.257   87.994   23.942   52.072   23.220 35.92182 33.35269 
1 1 1  -34   18   40 o   64.198   15.937   9.9104   8.0191   33.921   13.248  -3.9737   10.074   89.025   25.948   39.371   18.510 49.65345 31.87364 
1 1 1  -34   19    1 o   46.859   13.762   1.0084   5.9747   7.5724   9.0120  -4.1393   7.9807   55.824   21.373   37.894   17.342 17.93045 27.52365 
1 1 1  -34   19    2 o  178.331   7.6813   88.511   7.3686   88.972   10.959   88.130   9.9544  178.507   11.362  178.156   10.340 0.3508606 15.36255 
1 1 1  -34   19    3 o   32.649   11.159 -11.6695   5.8842 -12.9889   9.1651 -10.7442   7.6749   33.946   16.412   31.352   15.124 2.594629 22.31784 
1 1 1  -34   19    4 o  133.726   9.3136   50.308   6.6093   51.390   10.407   49.577   8.5564  134.400   14.330  133.051   11.901 1.349014 18.62717 
1 1 1  -34   19    5 o  117.538   10.447   39.771   6.4976   37.460   10.075   41.418   8.5019  113.873   16.373  121.204   12.981 -7.331032 20.89488 
1 1 1  -34   19    6 f  163.257   9.1252   74.480   8.0067   64.859   10.824   86.104   11.898  151.548   13.218  174.967   12.584 -23.41959 18.25047 
1 1 1  -34   19    7 o   72.352   15.796   15.630   7.0223   22.463   10.431   9.9662   9.4965   84.254   22.491   60.450   22.186 23.80381 31.59186 
1 1 1  -34   19    8 o   44.596   13.857  -2.1090   6.2995   4.2500   10.419  -5.7727   7.9087   53.101   22.055   36.092   16.781 17.00861 27.71348 
1 1 1  -34   19    9 o   54.993   15.323   5.8751   6.3979   10.268   11.082   3.6792   7.8354   62.463   23.752   47.523   19.367 14.94000 30.64658 
1 1 1  -34   19   10 o   44.010   13.388  -0.6608   6.1805  -9.2948   9.8090   5.0237   7.9591   38.114   18.024   49.906   19.800 -11.79250 26.77538 
1 1 1  -34   19   11 o   56.143   13.664   6.3501   6.2746  -7.1948   9.5607   16.598   8.3161   39.131   18.279   73.156   20.314 -34.02472 27.32762 
1 1 1  -34   19   12 o   64.167   19.462   6.3545   11.438   5.2680   20.647   6.8356   13.739   67.418   29.567   60.916   25.316 6.502144 38.92457 
1 1 1  -34   19   13 o   80.281   21.531   19.313   12.184   26.464   21.476   15.919   14.796   87.585   33.122   72.977   27.518 14.60859 43.06135 
1 1 1  -34   19   14 f   92.964   17.460   28.514   8.6560   29.294   10.580   26.937   15.054   96.966   20.814   88.963   28.038 8.002838 34.91964 
1 1 1  -34   19   15 o   52.785   14.635   4.6455   6.2180   11.473   9.7932   0.0339   8.0485   62.923   22.611   42.647   18.588 20.27598 29.27067 
1 1 1  -34   19   16 o  245.228   6.8976  166.758   8.9761  168.325   14.104  165.690   11.637  245.574   10.629  244.883   8.7942 0.6904907 13.79511 
1 1 1  -34   19   17 o   79.834   14.728   21.319   6.7396   12.421   10.778   27.033   8.6364   65.020   23.670   94.648   17.532 -29.62799 29.45532 
1 1 1  -34   19   18 o   50.767   14.710   3.7331   6.4214   8.0886   10.019   0.6963   8.3657   57.412   22.385   44.123   19.091 13.28877 29.42021 
1 1 1  -34   19   19 o   36.842   12.333  -8.9489   6.3326  -5.5188   10.020 -11.2300   8.1714   41.428   19.131   32.256   15.571 9.172058 24.66686 
1 1 1  -34   19   20 o   57.022   15.366   8.3938   6.5097   7.4175   10.351   9.0327   8.3729   56.855   22.573   57.188   20.856 -0.3329201 30.73247 
1 1 1  -34   19   21 o  138.707   9.9817   53.470   7.3225   63.362   11.938   47.504   9.2716  148.228   14.904  129.187   13.281 19.04070 19.96341 
1 1 1  -34   19   22 o   92.229   13.754   24.457   7.0045   44.053   11.123   11.581   9.0168  122.297   16.832   62.161   21.758 60.13601 27.50884 
1 1 1  -34   19   23 o   80.676   15.084   19.601   6.6681   29.092   10.873   13.878   8.4422   95.055   21.652   66.298   21.008 28.75665 30.16831 
1 1 1  -34   19   24 o   91.007   13.913   26.650   6.7086   20.940   10.295   30.864   8.8441   79.606   22.779  102.408   15.982 -22.80096 27.82678 
1 1 1  -34   19   25 o   61.439   15.974   10.223   6.8892   15.808   11.128   6.7519   8.7727   69.806   24.186   53.072   20.872 16.73405 31.94715 
1 1 1  -34   19   26 o   68.544   15.514   15.364   6.8487   9.1968   10.494   19.941   9.0393   58.660   22.899   78.428   20.937 -19.76820 31.02761 
1 1 1  -34   19   27 o  112.832   11.965   37.290   7.1946   45.913   11.320   31.446   9.3189  123.442   16.970  102.221   16.871 21.22059 23.92938 
1 1 1  -34   19   28 o   50.388   14.991   2.5924   7.0640   10.654   11.064  -2.9553   9.1781   60.019   23.490   40.756   18.632 19.26316 29.98212 
1 1 1  -34   19   29 o   82.029   15.665   23.153   7.1289   20.962   10.743   24.876   9.5292   77.362   23.571   86.696   20.638 -9.334122 31.32967 
1 1 1  -34   19   30 o   47.956   14.767   2.0057   7.1461   0.9332   10.871   2.8218   9.4830   48.069   21.253   47.842   20.509 0.2268677 29.53493 
1 1 1  -34   19   31 o   49.035   21.690   0.9625   11.336   0.9625   11.336   0.0000   0.0000   49.035   21.690  ?   ?       ?      ? 
1 1 1  -34   19   32 o   43.408   14.622 -11.0257   9.5151 -16.0383   14.389  -7.1306   12.684   42.291   20.475   44.526   20.881 -2.234921 29.24454 
1 1 1  -34   19   33 o   50.675   16.149  -0.4424   9.6942  -9.2635   14.489   6.7072   13.044   45.346   21.578   56.004   24.032 -10.65831 32.29809 
1 1 1  -34   19   34 o   55.263   17.056   8.1368   9.6531   5.7950   14.502  10.0000   12.935   53.774   24.110   56.752   24.131 -2.977230 34.11168 
1 1 1  -34   19   35 o   67.096   17.716   17.672   8.3970   17.660   15.180   17.677   10.079   65.939   26.924   68.254   23.035 -2.315041 35.43297 
1 1 1  -34   19   36 o   61.934   16.524   13.340   7.4336   14.300   11.898   12.725   9.5202   63.201   24.463   60.666   22.221 2.535141 33.04867 
1 1 1  -34   19   37 o   36.285   12.369  -9.2836   7.1324 -15.0538   11.932  -6.0752   8.8970   36.522   17.893   36.048   17.082 0.4736862 24.73759 
1 1 1  -34   19   38 o   67.481   15.068   20.308   8.2954 -12.6194   19.296   27.773   9.1878   46.516   22.782   88.447   19.726 -41.93052 30.13504 
1 1 1  -34   20    1 o   84.905   14.130   22.988   6.4422   17.596   9.5786   27.442   8.7052   74.382   22.167   95.428   17.528 -21.04612 28.25932 
1 1 1  -34   20    2 o   69.411   15.126   14.676   6.3354   19.378   9.3995   10.762   8.5762   78.130   21.560   60.691   21.221 17.43931 30.25175 
1 1 1  -34   20    3 o   86.714   14.168   23.112   6.4973   27.352   9.7655   19.745   8.7031   93.998   19.849   79.430   20.224 14.56779 28.33657 
1 1 1  -34   20    4 o   59.321   15.071   9.3236   6.2391   13.931   9.4429   5.7538   8.3118   67.196   22.291   51.445   20.290 15.75076 30.14249 
1 1 1  -34   20    5 o   86.079   14.837   23.157   6.7955   25.038   10.320   21.717   9.0291   88.817   21.691   83.340   20.249 5.476883 29.67339 
1 1 1  -34   20    6 o   42.858   13.582  -4.4153   6.8767 -12.3525   9.8663   3.0833   9.5899   35.957   17.295   49.759   20.947 -13.80165 27.16455 
1 1 1  -34   20    7 o  111.094   12.762   34.033   7.1381   55.270   11.900   22.097   8.9212  137.970   15.962   84.218   19.916 53.75183 25.52306 
1 1 1  -34   20    8 o   49.036   14.944   1.5356   6.8352   3.7095   11.758   0.4260   8.4003   54.175   23.020   43.896   19.062 10.27903 29.88799 
1 1 1  -34   20    9 o   69.565   15.498   15.058   6.4417   16.128   9.9768   14.293   8.4358   71.374   22.861   67.756   20.930 3.617920 30.99540 
1 1 1  -34   20   10 o   70.790   18.097   15.764   8.2581   6.3739   19.979   17.699   9.0691   66.847   29.206   74.733   21.378 -7.885719 36.19467 
1 1 1  -34   20   11 o   95.086   21.767   32.539   12.544   31.892   21.289   32.883   15.526   92.715   33.336   97.458   28.000 -4.742668 43.53484 
1 1 1  -34   20   12 o   60.835   18.712   3.3905   11.899 -13.4347   21.484   10.836   14.291   56.068   26.562   65.602   26.362 -9.534500 37.42340 
1 1 1  -34   20   13 f  105.070   12.497   32.304   6.8798   39.062   10.586   27.362   9.0520  115.373   16.980   94.767   18.340 20.60701 24.99331 
1 1 1  -34   20   14 o   77.849   14.875   19.598   6.5491   14.650   9.9280   23.410   8.7139   68.556   22.862   87.142   19.038 -18.58638 29.75065 
1 1 1  -34   20   15 o   54.480   14.438   6.2701   6.5019  -3.6038   10.083   13.297   8.5065   43.305   19.693   65.655   21.118 -22.35071 28.87529 
1 1 1  -34   20   16 o   40.560   13.127  -4.2516   6.4869  -7.9818   10.147  -1.6738   8.4356   39.684   18.632   41.436   18.497 -1.751289 26.25387 
1 1 1  -34   20   17 o  161.564   8.6674   73.305   7.4661   76.808   11.642   70.857   9.7305  164.304   13.113  158.824   11.338 5.480118 17.33477 
1 1 1  -34   20   18 o  192.188   8.0647  102.363   8.1891  111.691   13.250   96.598   10.417  198.490   12.353  185.886   10.371 12.60469 16.12935 
1 1 1  -34   20   19 o   59.108   15.786   9.6002   6.7574   10.162   10.944   9.2539   8.5904   60.914   23.494   57.301   21.090 3.612179 31.57135 
1 1 1  -34   20   20 o   50.766   14.891   4.4478   6.7159   1.5964   10.690   6.3072   8.6324   49.319   21.460   52.213   20.651 -2.894264 29.78205 
1 1 1  -34   20   21 f   68.657   16.301   15.096   7.0126   15.274   11.465   14.990   8.8639   68.967   24.499   68.348   21.511 0.6188202 32.60278 
1 1 1  -34   20   22 o   46.743   14.434   0.9835   6.8500  -1.1222   10.813   2.3949   8.8528   46.648   20.874   46.838   19.940 -0.1907120 28.86775 
1 1 1  -34   20   23 o   35.123   11.961 -11.5293   6.7065 -14.6886   10.280  -9.1886   8.8488   35.076   17.057   35.171   16.771 -0.9480667E-01 23.92129 
1 1 1  -34   20   24 o   48.394   14.566   1.1684   6.8523   8.8354   10.541  -4.4430   9.0177   57.527   22.798   39.262   18.137 18.26466 29.13247 
1 1 1  -34   20   25 o   69.312   15.452   16.385   7.2279   6.3972   11.164   23.594   9.4841   54.420   22.735   84.204   20.933 -29.78431 30.90479 
1 1 1  -34   20   26 o   47.811   14.738   2.1130   7.1028   2.6442   10.786   1.7063   9.4379   49.453   21.537   46.168   20.125 3.285698 29.47673 
1 1 1  -34   20   27 o   44.226   14.174  -2.8950   7.2905   2.3523   11.126  -6.8428   9.6509   49.916   21.803   38.535   18.117 11.38090 28.34763 
1 1 1  -34   20   28 o   53.241   15.270   5.3845   7.4040  -3.3799   11.462   11.661   9.6993   45.206   20.724   61.277   22.432 -16.07081 30.53923 
1 1 1  -34   20   29 o   72.472   16.426   15.552   7.7620   28.811   12.285   6.7414   10.014   90.982   24.460   53.961   21.931 37.02074 32.85224 
1 1 1  -34   20   30 o   44.062   14.802  -9.9555   9.4357  -5.7950   14.313 -13.1531   12.548   47.878   22.365   40.245   19.395 7.633331 29.60340 
1 1 1  -34   20   31 o   53.152   16.609   4.3600   9.4724   0.5818   13.612   7.9077   13.190   50.020   22.799   56.284   24.160 -6.263824 33.21836 
1 1 1  -34   20   32 o   48.557   15.724   0.0301   9.5312  -7.4842   13.508   7.4797   13.450   42.981   20.558   54.132   23.799 -11.15041 31.44892 
1 1 1  -34   20   33 o   67.591   17.502   14.349   8.2824   29.640   14.415   6.8132   10.120   83.546   27.533   51.636   21.616 31.90947 35.00415 
1 1 1  -34   20   34 o   50.233   14.488   1.7271   7.5649 -14.9947   11.369   15.011   10.134   36.000   17.601   64.466   23.018 -28.46675 28.97625 
1 1 1  -34   20   35 o   79.170   16.206   22.772   7.6093   34.810   11.899   14.444   9.8976   96.218   23.164   62.122   22.672 34.09660 32.41296 
1 1 1  -34   20   36 o   47.990   14.545   3.9881   7.3699  -5.9240   11.352   11.209   9.6892   40.120   19.094   55.861   21.946 -15.74108 29.08985 
1 1 1  -34   21    1 o  129.370   9.9545   46.312   6.8167   61.778   10.713   35.792   8.8361  147.219   13.467  111.519   14.663 35.70004 19.90895 
1 1 1  -34   21    2 o   64.054   15.132   11.956   6.2835   16.902   9.3648   7.9055   8.4743   72.903   21.962   55.205   20.823 17.69749 30.26412 
1 1 1  -34   21    3 o   53.228   13.877   4.3063   6.4098  -8.2957   9.5398   14.678   8.6545   37.979   17.904   68.477   21.208 -30.49749 27.75449 
1 1 1  -34   21    4 o   42.600   13.389  -3.0558   6.5096 -10.0267   9.4490   3.2414   8.9807   36.460   17.371   48.740   20.380 -12.28041 26.77802 
1 1 1  -34   21    5 o   47.424   14.789  -0.2910   7.3526  -1.1137   9.8510   0.7437   11.048   45.248   20.107   49.600   21.693 -4.351227 29.57884 
1 1 1  -34   21    6 o  155.885   12.384   68.692   10.432   0.0000   0.0000   68.692   10.432  ?   ?   155.885   12.384      ?      ? 
1 1 1  -34   21    7 o   48.267   14.380   1.2339   6.9149  -7.9099   10.794   7.5993   9.0057   41.205   19.304   55.330   21.320 -14.12519 28.76055 
1 1 1  -34   21    8 o  116.218   12.794   41.308   7.5382   36.583   11.853   44.517   9.7681  108.019   21.064  124.418   14.529 -16.39950 25.58878 
1 1 1  -34   21    9 o   70.527   21.307   10.441   13.650   14.773   23.826   8.3243   16.653   76.096   32.562   64.958   27.488 11.13766 42.61357 
1 1 1  -34   21   10 o   68.309   20.568   9.7155   12.942   12.079   21.327   8.3378   16.283   72.136   30.836   64.482   27.228 7.654694 41.13682 
1 1 1  -34   21   11 o   66.309   18.236   10.018   8.7198   5.6347   10.343   20.791   16.215   54.039   22.162   78.578   28.967 -24.53950 36.47250 
1 1 1  -34   21   12 o   71.368   15.775   16.097   6.7318   19.137   10.216   13.764   8.9494   76.526   22.912   66.211   21.688 10.31537 31.54930 
1 1 1  -34   21   13 o   67.674   15.734   14.509   6.9769   8.8206   10.382   19.194   9.4215   58.375   22.780   76.974   21.711 -18.59882 31.46833 
1 1 1  -34   21   14 o   40.843   13.291  -4.6590   6.7810  -7.1854   10.097  -2.5836   9.1519   39.871   18.676   41.816   18.915 -1.945045 26.58139 
1 1 1  -34   21   15 o  124.065   11.209   45.716   7.3973   41.271   11.078   49.292   9.9372  117.505   17.447  130.625   14.078 -13.12017 22.41873 
1 1 1  -34   21   16 o   69.917   16.452   15.384   7.2469   19.702   11.183   12.258   9.5154   76.671   24.166   63.162   22.331 13.50940 32.90432 
1 1 1  -34   21   17 o   73.621   15.794   18.087   6.9652   13.934   10.984   20.881   9.0079   66.616   23.946   80.627   20.600 -14.01082 31.58723 
1 1 1  -34   21   18 o   66.000   15.588   13.919   6.8254   8.4732   10.444   17.979   9.0176   57.614   22.737   74.385   21.330 -16.77103 31.17577 
1 1 1  -34   21   19 o   73.722   15.775   18.171   6.9363   14.683   10.429   20.937   9.2885   67.359   23.410   80.085   21.150 -12.72516 31.54936 
1 1 1  -34   21   20 o   64.570   16.100   13.468   7.0825   10.732   10.626   15.655   9.5003   60.439   23.192   68.701   22.338 -8.262093 32.20003 
1 1 1  -34   21   21 o   47.438   14.515   1.1867   6.8847   6.8018   10.536  -2.9977   9.0952   54.294   22.329   40.581   18.550 13.71343 29.02955 
1 1 1  -34   21   22 o   59.278   15.976   10.517   7.3129   6.0659   11.071   13.962   9.7405   53.790   22.568   64.766   22.618 -10.97617 31.95122 
1 1 1  -34   21   23 o   88.083   15.664   25.377   7.4294   33.547   11.678   19.822   9.6291   99.841   22.219   76.326   22.086 23.51489 31.32845 
1 1 1  -34   21   24 o   40.797   13.433  -6.0730   7.1443  -2.0685   10.845  -9.1437   9.4962   45.110   20.479   36.485   17.391 8.624805 26.86691 
1 1 1  -34   21   25 o   53.184   21.745   6.2982   9.9184   0.0000   0.0000   6.2982   9.9184  ?   ?    53.184   21.745      ?      ? 
1 1 1  -34   21   26 o   91.729   16.080   27.566   7.9304   35.834   12.300   21.684   10.375  103.588   22.609   79.870   22.871 23.71791 32.15992 
1 1 1  -34   21   27 o   90.913   17.588   28.791   8.9063   23.346   11.795   36.014   13.585   80.973   24.704  100.854   25.042 -19.88159 35.17677 
1 1 1  -34   21   28 o   98.805   18.771   37.496   10.217   37.185   15.268   37.748   13.750   96.759   27.757  100.851   25.279 -4.091324 37.54295 
1 1 1  -34   21   29 o   50.524   15.987   2.0211   8.9685   11.556   13.955  -4.6892   11.706   58.791   25.032   42.257   19.894 16.53338 31.97446 
1 1 1  -34   21   30 f   70.616   18.374   20.749   9.5295   14.678   13.631   26.554   13.328   62.212   25.470   79.020   26.489 -16.80806 36.74754 
1 1 1  -34   21   31 o   50.804   15.449   4.6703   7.5731   8.7851   11.767   1.7608   9.8946   55.878   23.343   45.731   20.245 10.14683 30.89874 
1 1 1  -34   21   32 o   42.285   13.852  -2.9365   7.5172  -6.8654   11.938  -0.3555   9.6763   41.615   19.740   42.955   19.438 -1.339455 27.70364 
1 1 1  -34   21   33 o   58.091   16.280   12.256   7.6957   9.6063   11.449   14.441   10.394   54.780   22.965   61.401   23.082 -6.620411 32.56028 
1 1 1  -34   21   34 f  106.620   14.668   43.642   8.1471   25.431   12.136   58.586   10.993   76.897   25.259  136.342   14.921 -59.44569 29.33635 
1 1 1  -34   22    1 o   60.925   15.616   11.052   6.6236   10.700   9.5956   11.372   9.1545   60.468   22.285   61.382   21.882 -0.9140930 31.23192 
1 1 1  -34   22    2 o   74.127   15.601   17.756   6.7575   21.237   9.8975   14.717   9.2486   80.500   22.087   67.754   22.041 12.74604 31.20263 
1 1 1  -34   22    3 o   48.262   14.138   1.8707   6.5892  -6.5164   9.7173   9.0093   8.9650   39.478   18.437   57.047   21.438 -17.56833 28.27556 
1 1 1  -34   22    4 o   54.429   15.656   5.5680   7.2915   1.7702   9.7420   10.405   10.995   47.765   20.635   61.092   23.552 -13.32626 31.31282 
1 1 1  -34   22    5 o   60.995   14.743   7.5923   7.5792   21.932   10.178 -10.2545   11.355   81.631   22.398   40.359   19.175 41.27165 29.48503 
1 1 1  -34   22    6 o   58.716   15.697   6.5113   7.2709   18.108   11.493  -1.2275   9.3885   73.746   24.598   43.686   19.507 30.05995 31.39380 
1 1 1  -34   22    7 o   56.358   22.426   7.7014   10.238   0.0000   0.0000   7.7014   10.238  ?   ?    56.358   22.426      ?      ? 
1 1 1  -34   22    8 o   62.406   20.098   0.4566   14.019   7.4617   24.325  -3.0270   17.154   69.537   31.199   55.276   25.345 14.26141 40.19594 
1 1 1  -34   22    9 o   77.194   22.249   14.012   14.241   37.793   24.881   2.4257   17.367   94.856   35.701   59.532   26.560 35.32414 44.49740 
1 1 1  -34   22   10 o   69.081   13.112   7.0547   7.1442   34.186   11.009 -12.6805   9.3896  103.937   20.331   34.225   16.563 69.71195 26.22311 
1 1 1  -34   22   11 o   57.599   15.886   8.6842   7.1263   9.5028   10.416   7.9638   9.7712   59.103   22.885   56.095   22.039 3.007248 31.77155 
1 1 1  -34   22   12 o   58.277   15.896   9.2588   7.1127   7.8128   10.417   10.522   9.7351   56.505   22.578   60.049   22.384 -3.543621 31.79289 
1 1 1  -34   22   13 o   47.379   14.498   1.7091   6.8693  -0.6780   10.183   3.7023   9.3054   45.628   20.349   49.129   20.656 -3.501041 28.99543 
1 1 1  -34   22   14 o   44.098   13.912  -1.3834   6.9339  -7.5167   10.799   2.9192   9.0447   40.740   19.157   47.456   20.178 -6.715343 27.82352 
1 1 1  -34   22   15 o   70.096   14.845   15.938   7.2267   2.5439   10.855   26.601   9.6853   49.793   21.645   90.399   20.321 -40.60577 29.68983 
1 1 1  -34   22   16 o   56.556   15.857   8.7122   7.2125   7.7296   10.818   9.4984   9.6769   55.797   22.749   57.315   22.096 -1.518200 31.71363 
1 1 1  -34   22   17 o   44.824   14.258  -3.8596   7.3342   6.0755   11.487 -10.6963   9.5292   54.310   22.898   35.337   16.997 18.97220 28.51693 
1 1 1  -34   22   18 o   69.072   16.015   14.883   7.3463   24.910   11.132   7.1482   9.7775   84.388   23.529   53.756   21.733 30.63208 32.03035 
1 1 1  -34   22   19 o   73.246   16.428   18.659   7.4503   14.834   11.199   21.695   9.9789   66.644   24.148   79.848   22.281 -13.20433 32.85688 
1 1 1  -34   22   20 o   31.968   11.213 -21.6307   7.4320 -28.3290   11.012 -16.0277   10.072   30.351   15.242   33.584   16.450 -3.232410 22.42639 
1 1 1  -34   22   21 o   59.655   16.351   9.1419   7.6426   15.826   11.713   4.1868   10.085   68.684   24.724   50.627   21.406 18.05764 32.70289 
1 1 1  -34   22   22 o  104.277   14.708   35.580   7.9573   31.479   12.374   38.471   10.391   95.701   23.977  112.852   17.039 -17.15078 29.41512 
1 1 1  -34   22   23 o   41.488   13.750  -7.0399   7.6053  -3.3451   11.810  -9.6576   9.9409   45.806   21.012   37.171   17.739 8.634117 27.49912 
1 1 1  -34   22   24 o   71.057   18.119   17.626   8.8972   14.020   11.849   22.286   13.472   64.921   24.590   77.193   26.619 -12.27150 36.23878 
1 1 1  -34   22   25 o   99.907   18.091   37.966   9.9142   46.036   14.523   30.923   13.567  111.543   24.743   88.270   26.398 23.27267 36.18136 
1 1 1  -34   22   26 o   49.160   15.896   1.3969   9.5461  -2.5473   13.942   4.8784   13.098   46.739   21.910   51.581   23.035 -4.841473 31.79134 
1 1 1  -34   22   27 o   67.682   17.729   17.170   9.7116   4.1396   13.959   29.392   13.520   51.959   23.444   83.405   26.602 -31.44625 35.45837 
1 1 1  -34   22   28 o   40.395   13.513 -12.9802   7.8421   4.4685   12.258 -25.0709   10.204   51.588   22.699   29.202   14.666 22.38611 27.02505 
1 1 1  -34   22   29 o   47.102   14.768  -0.4137   7.6858   9.3560   11.706  -7.8159   10.190   56.340   23.388   37.863   18.039 18.47705 29.53615 
1 1 1  -34   22   30 o   91.408   15.135   31.309   7.6827   22.598   11.480   38.376   10.339   74.589   24.570  108.227   17.680 -33.63874 30.26957 
1 1 1  -34   22   31 o   50.422   14.685  -1.2019   7.6214   20.444   11.832 -16.5523   9.9638   69.244   24.857   31.599   15.645 37.64474 29.37061 
1 1 1  -34   23    1 o   59.486   13.500   6.2193   6.8297 -12.2107   9.8110   23.547   9.5132   35.026   16.946   83.946   21.019 -48.91981 26.99921 
1 1 1  -34   23    2 o   76.487   14.593   19.394   7.1010   31.763   9.9806   6.7137   10.105   99.451   19.268   53.522   21.923 45.92918 29.18691 
1 1 1  -34   23    3 o   70.956   15.303   15.605   7.4198   28.503   10.721   3.7459   10.280   91.936   21.894   49.977   21.387 41.95865 30.60609 
1 1 1  -34   23    4 o   67.740   17.141   15.715   8.0227   17.633   10.692   13.243   12.137   71.257   23.723   64.222   24.749 7.035164 34.28267 
1 1 1  -34   23    5 o   34.838   16.952 -14.0252   10.195   0.0000   0.0000 -14.0252   10.195  ?   ?    34.838   16.952      ?      ? 
1 1 1  -34   23    6 o   69.347   28.431   16.063   17.015   0.0000   0.0000   16.063   17.015  ?   ?    69.347   28.431      ?      ? 
1 1 1  -34   23    7 o   78.743   22.264   25.315   14.809   15.831   25.591   30.090   18.159   72.004   32.174   85.482   30.782 -13.47817 44.52760 
1 1 1  -34   23    8 o   35.955   12.329 -13.4503   7.4641 -11.7331   10.315 -15.3377   10.814   36.453   17.572   35.456   17.298 0.9972878 24.65737 
1 1 1  -34   23    9 o   46.818   14.674   0.7397   7.3739   0.2958   10.483   1.1746   10.375   46.453   20.686   47.184   20.817 -0.7308121 29.34728 
1 1 1  -34   23   10 o   48.022   14.141   0.0324   7.0633 -12.8876   10.332   11.369   9.6783   35.797   17.336   60.248   22.346 -24.45017 28.28216 
1 1 1  -34   23   11 o   46.598   14.560   0.7301   7.2415  -1.3301   10.470   2.6197   10.027   44.903   20.278   48.292   20.898 -3.389740 29.11938 
1 1 1  -34   23   12 o   68.617   16.471   15.552   7.4399   20.814   10.913   10.983   10.170   77.166   23.800   60.069   22.774 17.09690 32.94107 
1 1 1  -34   23   13 o   55.175   15.417   6.5659   7.3686  -1.6099   10.695   13.955   10.167   45.205   20.448   65.144   23.078 -19.93851 30.83319 
1 1 1  -34   23   14 o   47.657   15.062  -0.4082   8.0442  -5.2004   12.367   3.1068   10.591   45.313   21.040   50.001   21.558 -4.688293 30.12343 
1 1 1  -34   23   15 o  122.827   18.132   46.313   12.034   0.0000   0.0000   46.313   12.034  ?   ?   122.827   18.132      ?      ? 
1 1 1  -34   23   19 o   28.809   14.505 -28.2152   10.310   0.0000   0.0000 -28.2152   10.310  ?   ?    28.809   14.505      ?      ? 
1 1 1  -34   23   20 o   49.117   14.076  -2.2972   7.5008 -22.9645   11.123   14.942   10.158   32.344   16.101   65.890   23.093 -33.54576 28.15152 
1 1 1  -34   23   21 o   49.503   15.564   0.3357   8.3418  -6.4340   10.711   10.770   13.298   39.927   18.867   59.079   24.758 -19.15191 31.12788 
1 1 1  -34   23   22 o   69.087   17.951   18.741   9.4709   8.8559   13.226   29.144   13.568   55.562   24.023   82.611   26.681 -27.04952 35.90258 
1 1 1  -34   23   23 o   73.999   17.735   21.481   9.6127   36.149   13.823   7.7455   13.376   93.562   26.266   54.437   23.838 39.12491 35.47019 
1 1 1  -34   23   24 o   55.656   16.815   8.2397   9.0127   10.288   12.297   5.8626   13.247   57.669   23.958   53.643   23.601 4.025913 33.62961 
1 1 1  -34   23   25 o   52.074   15.972  -3.2695   8.5436   19.523   14.730 -14.8255   10.488   69.815   27.164   34.333   16.811 35.48225 31.94483 
1 1 1  -34   23   26 o   46.211   14.428  -0.1274   7.7436 -11.9469   11.873   8.6218   10.215   38.350   18.575   54.072   22.083 -15.72234 28.85626 
1 1 1  -34   23   27 o   69.806   16.801   19.739   7.8039   15.578   11.796   22.977   10.407   62.842   24.348   76.769   23.157 -13.92690 33.60165 
1 1 1  -34   23   28 o   81.480   16.303   26.446   7.6188   22.617   11.137   29.813   10.445   73.849   24.195   89.111   21.858 -15.26228 32.60589 
1 1 1  -34   24    1 o   77.032   16.889   20.423   7.7400   19.964   10.523   20.964   11.424   76.426   23.338   77.637   24.419 -1.210869 33.77832 
1 1 1  -34   24    2 o  124.305   13.158   48.244   8.2415   65.128   11.942   32.889   11.388  148.725   14.860   99.885   21.718 48.83987 26.31521 
1 1 1  -34   24    3 o  105.836   21.366   35.117   12.465   73.018   23.660   20.556   14.665  135.955   32.622   75.717   27.603 60.23776 42.73278 
1 1 1  -34   24    4 o  191.870   18.280  107.298   16.228  222.027   28.721   53.491   19.669  265.873   19.991  117.867   30.610 148.0065 36.55948 
1 1 1  -34   24    5 o   72.784   29.234   18.027   17.565   0.0000   0.0000   18.027   17.565  ?   ?    72.784   29.234      ?      ? 
1 1 1  -34   24    6 o   59.967   17.543  -7.1874   9.4016 -20.3579   10.955   29.617   18.314   33.503   16.554   86.431   30.935 -52.92808 35.08631 
1 1 1  -34   24    7 o  137.552   11.354   57.006   8.2992   66.729   11.617   46.871   11.860  151.054   14.232  124.049   17.694 27.00508 22.70732 
1 1 1  -34   24    8 o   90.296   14.771   26.285   8.0261   10.227   11.004   44.541   11.733   59.913   23.432  120.678   17.992 -60.76460 29.54252 
1 1 1  -34   24    9 o   65.365   16.740   13.730   7.7014   16.630   10.832   10.764   10.952   70.105   23.878   60.624   23.469 9.480717 33.48061 
1 1 1  -34   24   10 o   74.709   16.000   18.663   7.7552   8.4682   11.139   28.254   10.804   57.461   23.209   91.956   22.031 -34.49501 32.00075 
1 1 1  -34   24   11 o   59.458   15.571   7.6536   7.7320   20.026   10.981  -4.5121   10.889   75.863   23.951   43.052   19.903 32.81135 31.14123 
1 1 1  -34   24   12 o   45.739   14.592  -1.6536   7.7158   2.1056   11.027  -5.2599   10.800   49.346   21.625   42.132   19.596 7.213898 29.18307 
1 1 1  -34   24   13 o   56.258   15.296   3.9450   7.8612   19.651   11.367 -10.4532   10.884   74.125   24.451   38.391   18.386 35.73401 30.59232 
1 1 1  -34   24   14 o   39.084   13.187  -9.5305   7.7824  -6.4907   11.067 -12.5043   10.946   41.172   19.371   36.996   17.899 4.175728 26.37391 
1 1 1  -34   24   15 o   43.186   14.078  -4.5959   7.8146   3.5011   11.380 -11.8206   10.750   49.772   21.887   36.599   17.714 13.17367 28.15692 
1 1 1  -34   24   16 o   57.882   16.679   10.428   8.3846   16.161   12.220   5.3269   11.526   64.752   24.864   51.012   22.238 13.74005 33.35836 
1 1 1  -34   24   17 o   43.350   14.580  -6.7891   9.2301 -11.1684   12.329  -1.2050   13.922   39.121   18.943   47.580   22.169 -8.458809 29.16055 
1 1 1  -34   24   18 o   91.711   19.326   36.137   10.318   39.009   14.804   33.423   14.388   95.767   27.286   87.655   27.378 8.112450 38.65293 
1 1 1  -34   24   19 o   66.092   18.425   16.953   9.9840   22.351   13.797   11.018   14.466   73.018   26.750   59.166   25.346 13.85217 36.85091 
1 1 1  -34   24   20 o   45.078   15.003  -5.2976   9.3946  -3.7883   13.593  -6.6779   12.999   46.479   21.739   43.676   20.683 2.802296 30.00612 
1 1 1  -34   24   21 o   45.619   15.171  -5.0219   9.5861  -6.2523   13.898  -3.9054   13.240   45.319   21.439   45.919   21.470 -0.5996437 30.34115 
1 1 1  -34   24   22 o   79.975   18.337   25.142   8.7413   29.977   14.927   22.618   10.784   82.988   28.032   76.962   23.647 6.025658 36.67348 
1 1 1  -34   24   23 o   72.416   17.089   21.670   8.1154   17.019   12.935   24.690   10.422   64.612   25.366   80.219   22.907 -15.60765 34.17825 
1 1 1  -34   24   24 o   64.805   16.262   16.691   8.0992   5.7824   12.496   24.592   10.635   50.977   22.650   78.633   23.340 -27.65670 32.52366 
1 1 1  -34   25    1 o   48.826   16.527  -5.8695   9.8233   11.453   20.475 -11.0487   11.196   60.485   27.717   37.168   18.011 23.31638 33.05482 
1 1 1  -34   25    2 o   60.152   27.530   11.065   20.113   11.065   20.113   0.0000   0.0000   60.152   27.530  ?   ?       ?      ? 
1 1 1  -34   25    3 f   41.350   20.841 -40.4279   21.603 -40.4279   21.603   0.0000   0.0000   41.350   20.841  ?   ?       ?      ? 
1 1 1  -34   25    4 o   38.048   13.310 -18.5050   9.7473 -11.6712   11.491 -36.0360   18.405   37.382   18.145   38.714   19.478 -1.331532 26.62009 
1 1 1  -34   25    5 o   42.511   14.017  -3.0832   7.8504  -0.9694   11.659  -4.8364   10.618   44.828   20.678   40.193   18.929 4.634548 28.03418 
1 1 1  -34   25    6 f   52.930   15.461   8.3063   7.2830   10.732   9.8977   5.4421   10.755   56.071   22.133   49.789   21.595 6.281784 30.92227 
1 1 1  -34   25    7 o   54.875   15.202   6.9656   7.2050  -2.3369   9.5485   19.266   10.980   40.294   18.631   69.456   24.027 -29.16246 30.40407 
1 1 1  -34   25    8 o   38.892   13.072  -6.6705   7.4994  -4.4523   10.526  -8.9573   10.687   40.299   18.938   37.485   18.023 2.813557 26.14312 
1 1 1  -34   25    9 o   45.172   14.377   1.0871   7.4635   4.0342   10.094  -2.4672   11.085   47.540   20.766   42.805   19.890 4.734554 28.75485 
1 1 1  -34   25   10 o   43.962   14.208  -0.8019   7.5567  -3.5740   10.405   2.2926   10.993   40.926   19.101   46.999   21.038 -6.072464 28.41574 
1 1 1  -34   25   11 o   67.506   15.144   14.776   7.5852   0.5748   10.622   29.553   10.835   45.123   20.397   89.889   22.391 -44.76656 30.28823 
1 1 1  -34   25   12 o   47.723   14.952   2.5771   7.6451   1.3856   10.565   3.8870   11.077   46.102   20.631   49.344   21.648 -3.242802 29.90468 
1 1 1  -34   25   13 o   71.654   16.752   15.924   8.3984   4.0622   10.773   34.302   13.410   49.387   21.516   93.922   25.683 -44.53454 33.50466 
1 1 1  -34   25   14 o   48.498   15.505   0.2274   8.9512   5.7185   11.836  -7.1081   13.681   52.494   22.711   44.502   21.116 7.992252 31.01083 
1 1 1  -34   25   15 o   61.582   17.432   12.246   8.9909   6.4730   12.254   18.977   13.232   53.650   23.160   69.515   26.060 -15.86538 34.86427 
1 1 1  -34   25   16 f   53.387   16.711   5.3749   9.5087   5.1689   12.934   5.6171   14.027   52.676   23.241   54.098   24.019 -1.422215 33.42256 
1 1 1  -34   25   17 o   40.682   13.847 -12.5611   9.0791 -23.0631   12.527  -0.9387   13.178   34.192   17.032   47.172   21.838 -12.97973 27.69442 
1 1 1  -34   25   18 o   41.578   14.152  -9.8190   9.4006 -15.4504   13.055  -3.7545   13.548   38.001   18.637   45.155   21.301 -7.154037 28.30378 
1 1 1  -34   25   19 o   34.203   11.875 -15.6384   7.7001 -24.6549   11.412  -8.1033   10.433   31.181   15.639   37.224   17.873 -6.042803 23.74963 
1 1 1  -34   25   20 o  119.478   13.791   49.629   8.5304   48.847   13.114   50.203   11.231  115.046   21.895  123.910   16.774 -8.863716 27.58177 
1 1 1  -34   26    1 o   59.048   19.429   3.2955   15.658   25.856   22.671 -17.2793   21.650   70.228   30.886   47.868   23.580 22.36010 38.85863 
1 1 1  -34   26    2 o   51.046   20.853   7.5644   9.1126   7.5644   9.1126   0.0000   0.0000   51.046   20.853  ?   ?       ?      ? 
1 1 1  -34   26    3 o   55.932   16.155   10.162   7.7640   12.302   11.085   8.1024   10.878   58.732   23.347   53.132   22.335 5.599709 32.30990 
1 1 1  -34   26    4 o   87.030   16.748   29.122   8.1010   31.914   11.706   26.556   11.222   91.491   23.542   82.569   23.829 8.922096 33.49666 
1 1 1  -34   26    5 o   52.966   15.436   7.0983   7.4314   0.8493   10.184   14.216   10.869   44.393   20.028   61.540   23.493 -17.14741 30.87116 
1 1 1  -34   26    6 o   51.083   15.258   6.8880   7.1986   6.8214   9.5997   6.9735   10.881   50.434   21.077   51.732   22.067 -1.297939 30.51591 
1 1 1  -34   26    7 o   38.125   12.551 -10.3843   7.1508   4.7797   9.6090 -29.2052   10.705   47.763   20.564   28.488   14.396 19.27495 25.10214 
1 1 1  -34   26    8 o   51.007   15.703   5.3196   8.5268   10.931   11.000  -3.1284   13.497   56.480   22.974   45.534   21.413 10.94676 31.40561 
1 1 1  -34   26    9 o   48.771   15.447   3.0463   8.2331  -0.1536   10.643   7.8153   12.993   43.797   20.038   53.744   23.515 -9.946999 30.89464 
1 1 1  -34   26   10 f   60.468   15.808   11.883   8.6418   24.640   11.124  -7.5360   13.725   78.079   24.021   42.857   20.557 35.22208 31.61656 
1 1 1  -34   26   11 o   44.572   14.729  -1.9603   8.7939  -2.7905   12.316  -1.0968   12.560   43.802   20.552   45.341   21.103 -1.539433 29.45760 
1 1 1  -34   26   12 o   52.017   15.518   4.8718   8.7564   16.836   11.377 -12.5180   13.716   64.010   24.131   40.024   19.517 23.98589 31.03534 
1 1 1  -34   26   13 o   38.396   13.212 -11.5776   8.7325 -10.9099   11.795 -12.3874   12.990   37.826   18.366   38.965   18.999 -1.138557 26.42479 
1 1 1  -33    0    1 f  351.638   5.5066  335.057   14.781  335.057   14.781  335.057   14.781  351.638   7.7875  351.638   7.7875 0.000000 0.000000 
1 1 1  -33    0    2 f  132.357   7.0939   48.254   7.0805   48.254   7.0805   48.254   7.0805  132.357   10.032  132.357   10.032 0.000000 0.000000 
1 1 1  -33    0    3 o   39.431   15.216   5.9645   6.5170   5.9645   6.5170   5.9645   6.5170   39.431   21.518   39.431   21.518 0.000000 0.000000 
1 1 1  -33    0    4 o  268.528   5.2489  195.522   10.753  195.522   10.753  195.522   10.753  268.528   7.4231  268.528   7.4231 0.000000 0.000000 
1 1 1  -33    0    5 f  191.252   5.6588   99.493   8.2376   99.493   8.2376   99.493   8.2376  191.252   8.0028  191.252   8.0028 0.000000 0.000000 
1 1 1  -33    0    6 o   48.883   15.643   9.4487   6.2945   9.4487   6.2945   9.4487   6.2945   48.883   22.123   48.883   22.123 0.000000 0.000000 
1 1 1  -33    0    7 o  158.107   6.2170   68.289   7.4585   68.289   7.4585   68.289   7.4585  158.107   8.7921  158.107   8.7921 0.000000 0.000000 
1 1 1  -33    0    8 o  281.311   5.2578  214.548   11.285  214.548   11.285  214.548   11.285  281.311   7.4356  281.311   7.4356 0.000000 0.000000 
1 1 1  -33    0    9 o  252.624   5.3090  173.124   10.229  173.124   10.229  173.124   10.229  252.624   7.5080  252.624   7.5080 0.000000 0.000000 
1 1 1  -33    0   10 o  229.099   5.4423  142.500   9.5037  142.500   9.5037  142.500   9.5037  229.099   7.6965  229.099   7.6965 0.000000 0.000000 
1 1 1  -33    0   11 o   56.146   15.815   11.874   6.5625   11.874   6.5625   11.874   6.5625   56.146   22.366   56.146   22.366 0.000000 0.000000 
1 1 1  -33    0   12 o  355.883   5.6601  343.302   15.376  343.302   15.376  343.302   15.376  355.883   8.0045  355.883   8.0045 0.000000 0.000000 
1 1 1  -33    0   13 f  239.993   5.5392  156.379   10.134  156.379   10.134  156.379   10.134  239.993   7.8336  239.993   7.8336 0.000000 0.000000 
1 1 1  -33    0   14 o  433.121   6.2363  508.635   20.622  508.635   20.622  508.635   20.622  433.121   8.8195  433.121   8.8195 0.000000 0.000000 
1 1 1  -33    0   15 o  289.705   5.4276  227.648   11.997  227.648   11.997  227.648   11.997  289.705   7.6758  289.705   7.6758 0.000000 0.000000 
1 1 1  -33    0   16 o   69.014   15.248   16.277   7.0536   16.277   7.0536   16.277   7.0536   69.014   21.564   69.014   21.564 0.000000 0.000000 
1 1 1  -33    0   17 o  150.166   7.1856   61.956   8.1592   61.956   8.1592   61.956   8.1592  150.166   10.162  150.166   10.162 0.000000 0.000000 
1 1 1  -33    0   18 o   40.485   15.798   6.2355   7.1146   6.2355   7.1146   6.2355   7.1146   40.485   22.341   40.485   22.341 0.000000 0.000000 
1 1 1  -33    0   19 o  314.625   8.0039  269.595   19.188  269.595   19.188  269.595   19.188  314.625   11.319  314.625   11.319 0.000000 0.000000 
1 1 1  -33    0   20 o   51.519   17.063   10.667   7.5174   10.667   7.5174   10.667   7.5174   51.519   24.130   51.519   24.130 0.000000 0.000000 
1 1 1  -33    0   21 o  129.053   11.574   47.523   10.915   47.523   10.915   47.523   10.915  129.053   16.368  129.053   16.368 0.000000 0.000000 
1 1 1  -33    0   25 o  356.258   5.7737  344.521   15.700  344.521   15.700  344.521   15.700  356.258   8.1653  356.258   8.1653 0.000000 0.000000 
1 1 1  -33    0   26 o  319.823   5.6097  277.709   13.691  277.709   13.691  277.709   13.691  319.823   7.9333  319.823   7.9333 0.000000 0.000000 
1 1 1  -33    0   27 f  194.405   5.9474  103.043   8.7980  103.043   8.7980  103.043   8.7980  194.405   8.4108  194.405   8.4108 0.000000 0.000000 
1 1 1  -33    0   28 o   24.117   11.694  -4.5239   6.9180  -4.5239   6.9180  -4.5239   6.9180   24.117   16.538   24.117   16.538 0.000000 0.000000 
1 1 1  -33    0   29 o   60.713   16.556   13.857   7.2833   13.857   7.2833   13.857   7.2833   60.713   23.413   60.713   23.413 0.000000 0.000000 
1 1 1  -33    0   30 o  214.408   6.0281  125.358   9.8415  125.358   9.8415  125.358   9.8415  214.408   8.5250  214.408   8.5250 0.000000 0.000000 
1 1 1  -33    0   31 o  205.750   6.0534  115.531   9.4805  115.531   9.4805  115.531   9.4805  205.750   8.5608  205.750   8.5608 0.000000 0.000000 
1 1 1  -33    0   32 o   63.582   16.508   14.945   7.4124   14.945   7.4124   14.945   7.4124   63.582   23.346   63.582   23.346 0.000000 0.000000 
1 1 1  -33    0   33 o  241.419   5.8883  158.833   10.834  158.833   10.834  158.833   10.834  241.419   8.3273  241.419   8.3273 0.000000 0.000000 
1 1 1  -33    0   34 o  199.837   6.2481  109.192   9.4993  109.192   9.4993  109.192   9.4993  199.837   8.8362  199.837   8.8362 0.000000 0.000000 
1 1 1  -33    0   35 o   91.514   12.405   25.457   7.7527   25.457   7.7527   25.457   7.7527   91.514   17.544   91.514   17.544 0.000000 0.000000 
1 1 1  -33    0   36 o  227.444   5.8499  141.205   10.137  141.205   10.137  141.205   10.137  227.444   8.2730  227.444   8.2730 0.000000 0.000000 
1 1 1  -33    0   37 o   35.304   14.929   3.9218   7.1586   3.9218   7.1586   3.9218   7.1586   35.304   21.112   35.304   21.112 0.000000 0.000000 
1 1 1  -33    0   38 o  148.183   7.5454   60.952   8.4426   60.952   8.4426   60.952   8.4426  148.183   10.671  148.183   10.671 0.000000 0.000000 
1 1 1  -33    0   39 o  255.444   5.7966  178.158   11.289  178.158   11.289  178.158   11.289  255.444   8.1976  255.444   8.1976 0.000000 0.000000 
1 1 1  -33    0   40 o  341.659   5.9642  318.564   15.551  318.564   15.551  318.564   15.551  341.659   8.4346  341.659   8.4346 0.000000 0.000000 
1 1 1  -33    0   41 o  228.332   5.9720  142.701   10.388  142.701   10.388  142.701   10.388  228.332   8.4456  228.332   8.4456 0.000000 0.000000 
1 1 1  -33    0   42 o   44.531   16.733   8.4298   7.6875   8.4298   7.6875   8.4298   7.6875   44.531   23.663   44.531   23.663 0.000000 0.000000 
1 1 1  -33    0   43 o  103.464   11.325   31.855   8.3157   31.855   8.3157   31.855   8.3157  103.464   16.016  103.464   16.016 0.000000 0.000000 
1 1 1  -33    0   44 o   25.446   12.370  -4.8504   7.8550  -4.8504   7.8550  -4.8504   7.8550   25.446   17.494   25.446   17.494 0.000000 0.000000 
1 1 1  -33    0   45 o  149.507   8.1516   62.654   9.1860   62.654   9.1860   62.654   9.1860  149.507   11.528  149.507   11.528 0.000000 0.000000 
1 1 1  -33    0   46 o  140.190   8.7562   55.684   9.2124   55.684   9.2124   55.684   9.2124  140.190   12.383  140.190   12.383 0.000000 0.000000 
1 1 1  -33    0   47 o   67.840   17.666   17.808   8.4756   17.808   8.4756   17.808   8.4756   67.840   24.983   67.840   24.983 0.000000 0.000000 
1 1 1  -33    0   48 o   22.516   11.381 -12.2418   8.9214 -12.2418   8.9214 -12.2418   8.9214   22.516   16.096   22.516   16.096 0.000000 0.000000 
1 1 1  -33    0   49 o   40.467   16.713   6.7058   8.6002   6.7058   8.6002   6.7058   8.6002   40.467   23.635   40.467   23.635 0.000000 0.000000 
1 1 1  -33    0   52 o   40.851   18.494   5.8176   12.992   5.8176   12.992   5.8176   12.992   40.851   26.154   40.851   26.154 0.000000 0.000000 
1 1 1  -33    0   53 o   66.173   19.217   19.013   9.6032   19.013   9.6032   19.013   9.6032   66.173   27.177   66.173   27.177 0.000000 0.000000 
1 1 1  -33    0   54 o   52.129   18.526   13.469   9.0806   13.469   9.0806   13.469   9.0806   52.129   26.200   52.129   26.200 0.000000 0.000000 
1 1 1  -33    1    1 o  339.145   5.4195  311.652   9.9318  309.548   14.053  313.752   14.038  337.997   7.6944  340.292   7.6343 -2.295288 10.83909 
1 1 1  -33    1    2 o   71.501   12.084   14.597   4.6069   15.482   6.3695   13.627   6.6711   73.807   16.397   69.196   17.754 4.611374 24.16714 
1 1 1  -33    1    3 o   79.952   10.889   17.986   4.5745   22.374   6.4948   13.666   6.4441   90.621   13.263   69.284   17.273 21.33671 21.77752 
1 1 1  -33    1    4 o  140.818   6.6776   53.734   5.0553   61.469   7.3106   46.647   6.9983  150.544   8.9867  131.091   9.8794 19.45325 13.35524 
1 1 1  -33    1    5 o  228.594   5.3085  141.581   6.5560  138.198   9.2658  144.972   9.2775  225.853   7.5923  231.336   7.4216 -5.483032 10.61710 
1 1 1  -33    1    6 o  130.975   7.2234   46.766   5.0676   39.342   7.1116   54.425   7.2229  120.324   10.938  141.626   9.4380 -21.30168 14.44678 
1 1 1  -33    1    7 o  329.403   5.4435  294.032   9.6885  291.133   13.743  296.896   13.660  327.781   7.7593  331.024   7.6367 -3.243286 10.88700 
1 1 1  -33    1    8 o  152.663   6.4831   63.093   5.3400   58.447   7.3802   68.198   7.7362  146.768   9.3057  158.558   9.0293 -11.79045 12.96622 
1 1 1  -33    1    9 o  263.296   5.3290  187.796   7.5811  191.318   10.806  184.383   10.639  265.727   7.5255  260.865   7.5471 4.862732 10.65797 
1 1 1  -33    1   10 o  207.176   5.6366  116.339   6.3100  115.962   8.8785  116.724   8.9695  206.839   7.9436  207.512   7.9990 -0.6731873 11.27323 
1 1 1  -33    1   11 o  421.181   6.0741  481.144   13.824  479.524   19.548  482.764   19.553  420.469   8.6034  421.892   8.5766 -1.423340 12.14811 
1 1 1  -33    1   12 o  169.486   6.1610   77.954   5.6407   76.025   8.0000   79.861   7.9546  167.390   8.8445  171.582   8.5794 -4.192078 12.32200 
1 1 1  -33    1   13 o  209.099   5.6826  118.580   6.4127  110.919   9.0064  126.458   9.1328  202.228   8.2418  215.970   7.8257 -13.74171 11.36523 
1 1 1  -33    1   14 o  232.608   5.5817  146.641   7.0136  150.222   10.074  143.272   9.7701  235.359   7.9214  229.856   7.8660 5.503433 11.16341 
1 1 1  -33    1   15 o  293.936   5.4104  234.192   8.5916  238.302   12.309  230.287   11.997  296.445   7.6842  291.427   7.6185 5.018890 10.82075 
1 1 1  -33    1   16 o  127.204   7.7608   43.847   5.3203   48.466   7.8110   39.849   7.2665  133.436   10.833  120.971   11.116 12.46507 15.52162 
1 1 1  -33    1   17 o  378.272   5.8498  387.485   11.943  405.031   17.421  371.928   16.404  386.320   8.3453  370.225   8.1998 16.09503 11.69959 
1 1 1  -33    1   18 o  395.395   7.3703  425.297   14.864  425.219   18.232  425.450   25.668  395.793   8.5246  394.996   12.026 0.7975769 14.74052 
1 1 1  -33    1   19 o  124.413   8.6731   42.515   5.7444   33.844   8.0464   51.527   8.2036  111.273   13.382  137.553   11.037 -26.27982 17.34620 
1 1 1  -33    1   20 o  294.751   7.8807  235.721   12.552   0.0000   0.0000  235.721   12.552  ?   ?   294.751   7.8807      ?      ? 
1 1 1  -33    1   21 o  125.524   8.8873   44.008   5.8187   30.932   8.2210   57.134   8.2368  106.211   14.324  144.838   10.524 -38.62741 17.77464 
1 1 1  -33    1   24 o  274.934   11.444  206.622   17.001   0.0000   0.0000  206.622   17.001  ?   ?   274.934   11.444      ?      ? 
1 1 1  -33    1   25 f   68.922   12.370   13.095   5.0380   5.2263   6.9045   22.055   7.3677   49.841   18.797   88.003   16.086 -38.16159 24.74023 
1 1 1  -33    1   26 o  128.346   7.9083   44.931   5.4732   49.226   7.9434   41.049   7.5520  134.202   10.954  122.490   11.410 11.71241 15.81661 
1 1 1  -33    1   27 o  182.154   6.3608   90.373   6.2608   89.382   8.8219   91.379   8.8865  181.145   9.0126  183.163   8.9786 -2.018326 12.72169 
1 1 1  -33    1   28 o  226.314   5.7035  138.600   6.9532  154.593   10.230  124.869   9.4793  238.408   7.9411  214.220   8.1889 24.18729 11.40700 
1 1 1  -33    1   29 o  262.933   5.5926  187.776   7.9354  194.731   11.592  181.643   10.886  267.480   8.0203  258.387   7.7964 9.093079 11.18520 
1 1 1  -33    1   30 o  253.604   7.9520  175.163   10.897   0.0000   0.0000  175.163   10.897  ?   ?   253.604   7.9520      ?      ? 
1 1 1  -33    1   31 f  120.869   8.8129   40.719   5.6414   31.391   7.9308   50.273   8.0264  106.429   13.790  135.310   10.977 -28.88051 17.62589 
1 1 1  -33    1   32 o   61.103   13.814   10.525   5.1934   8.8013   7.5499   12.073   7.1551   57.635   19.925   64.570   19.139 -6.935356 27.62804 
1 1 1  -33    1   33 o  223.432   5.7965  135.652   6.9826  127.739   9.4938  144.977   10.306  216.384   8.1194  230.480   8.2749 -14.09561 11.59306 
1 1 1  -33    1   34 o   73.197   11.627   15.782   5.2646   27.967   7.2904   2.5037   7.6105  100.301   13.451   46.092   18.970 54.20913 23.25451 
1 1 1  -33    1   35 o  131.561   7.7957   47.768   5.5419   47.766   7.8598   47.770   7.8153  131.550   11.057  131.572   10.993 -0.2134705E-01 15.59134 
1 1 1  -33    1   36 o  158.212   6.8719   68.735   5.8709   65.413   8.1558   72.307   8.4577  154.230   9.7861  162.194   9.6501 -7.963394 13.74379 
1 1 1  -33    1   37 o  132.698   8.0637   49.588   5.6595   38.870   8.1115   59.755   7.9002  118.092   12.711  147.303   9.9252 -29.21122 16.12731 
1 1 1  -33    1   38 o  174.301   6.8217   83.818   6.4056   91.909   9.1129   75.916   9.0058  182.771   9.2270  165.832   10.050 16.93883 13.64335 
1 1 1  -33    1   39 o  239.453   5.8578  157.270   7.5770  156.589   10.570  157.989   10.867  238.962   8.1861  239.943   8.3811 -0.9810791 11.71560 
1 1 1  -33    1   40 o   78.065   12.692   18.214   5.5244   11.028   7.7733   25.546   7.8528   61.461   20.217   94.670   15.351 -33.20933 25.38418 
1 1 1  -33    1   41 o  192.796   6.8186  102.701   7.0847  113.206   10.190   92.872   9.8566  202.480   9.3136  183.111   9.9614 19.36795 13.63719 
1 1 1  -33    1   42 o  172.161   6.8499   82.167   6.3682   84.425   8.9365   79.837   9.0772  174.661   9.4685  169.661   9.9010 5.000168 13.69978 
1 1 1  -33    1   43 f   93.140   11.694   25.697   5.6728   19.699   7.8454   32.268   8.2121   80.115   18.497  106.165   14.315 -26.04939 23.38893 
1 1 1  -33    1   44 o   51.307   13.799   4.9721   5.6403   11.342   8.3052  -0.4810   7.6841   61.587   20.909   41.026   18.014 20.56152 27.59870 
1 1 1  -33    1   45 o   53.308   13.956   6.4961   5.6253   1.6005   7.7381   11.983   8.1920   43.867   18.658   62.749   20.760 -18.88190 27.91224 
1 1 1  -33    1   46 o   51.836   14.478   6.1824   6.0032   6.9436   8.3255   5.3580   8.6642   52.870   20.463   50.801   20.487 2.068802 28.95605 
1 1 1  -33    1   47 o  100.809   11.661   30.341   6.1572   35.609   8.9494   25.606   8.4844  110.464   14.993   91.154   17.864 19.31028 23.32156 
1 1 1  -33    1   48 o   94.897   13.055   28.386   6.5253   22.633   9.1813   34.258   9.2759   82.910   20.587  106.883   16.060 -23.97312 26.11096 
1 1 1  -33    1   49 o   98.725   12.254   30.186   6.3323   25.414   8.9044   35.069   9.0069   88.971   19.093  108.479   15.365 -19.50774 24.50758 
1 1 1  -33    1   52 o   59.705   17.735   12.760   9.6974   10.727   13.464   14.950   13.979   57.347   24.507   62.063   25.643 -4.716045 35.47060 
1 1 1  -33    1   53 o  144.136   9.1389   61.624   7.0779   54.396   9.9572   69.007   10.063  134.828   13.667  153.443   12.136 -18.61537 18.27776 
1 1 1  -33    1   54 o   39.062   12.844  -3.3070   6.6411  -0.0463   9.0424  -7.1256   9.7854   41.336   18.740   36.788   17.568 4.547710 25.68731 
1 1 1  -33    2    1 o  236.295   5.2741  151.211   6.7256  152.442   9.7800  150.107   9.2639  237.192   7.6304  235.399   7.2829 1.793640 10.54816 
1 1 1  -33    2    2 o  239.718   5.2814  155.532   6.8330  158.615   9.9490  152.779   9.4008  241.952   7.6096  237.484   7.3256 4.468155 10.56272 
1 1 1  -33    2    3 o  215.484   5.4071  125.677   6.2923  129.749   9.0934  121.936   8.7159  218.827   7.6902  212.142   7.6032 6.684464 10.81428 
1 1 1  -33    2    4 o  226.008   5.3663  138.384   6.5442  138.576   9.5183  138.213   9.0122  226.139   7.7892  225.876   7.3836 0.2628174 10.73268 
1 1 1  -33    2    5 o  311.078   5.3585  262.207   9.0062  257.398   12.736  267.016   12.737  308.217   7.6471  313.939   7.5083 -5.721771 10.71694 
1 1 1  -33    2    6 o  287.801   5.2464  224.319   8.1551  226.655   11.745  222.145   11.333  289.237   7.5144  286.365   7.3235 2.872589 10.49284 
1 1 1  -33    2    7 o   78.384   11.363   17.368   4.7275   21.632   6.6554   13.026   6.7166   89.058   13.830   67.710   18.034 21.34827 22.72663 
1 1 1  -33    2    8 o  189.568   5.6341   97.519   5.7642   93.067   8.2170  101.833   8.0881  185.284   8.2071  193.851   7.7213 -8.567368 11.26830 
1 1 1  -33    2    9 o  276.495   5.3530  207.012   7.9944  211.976   11.514  202.392   11.109  279.688   7.6182  273.303   7.5220 6.385345 10.70592 
1 1 1  -33    2   10 o  327.987   5.4751  291.544   9.7027  292.649   13.833  290.474   13.613  328.593   7.7905  327.382   7.6952 1.211121 10.95023 
1 1 1  -33    2   11 o  139.423   7.0562   52.977   5.2980   56.483   7.3755   49.240   7.6152  144.241   9.4627  134.604   10.470 9.636887 14.11233 
1 1 1  -33    2   12 o  246.071   5.4246  164.173   7.2107  159.660   10.207  168.669   10.188  242.683   7.7835  249.459   7.5578 -6.776291 10.84910 
1 1 1  -33    2   13 o  390.604   5.9003  413.801   12.452  418.486   17.803  409.315   17.422  392.760   8.3883  388.449   8.3000 4.310791 11.80063 
1 1 1  -33    2   14 o  446.738   6.3452  541.783   15.316  533.064   21.537  550.705   21.786  443.096   8.9950  450.379   8.9519 -7.282654 12.69039 
1 1 1  -33    2   15 o  240.536   5.6290  156.956   7.3159  158.606   10.320  155.288   10.372  241.815   7.8982  239.258   8.0226 2.557770 11.25805 
1 1 1  -33    2   16 o  103.448   9.5244   29.158   5.3153   31.453   7.7557   27.125   7.2990  107.282   13.378   99.614   13.560 7.668312 19.04870 
1 1 1  -33    2   17 o  344.248   6.9107  324.574   12.310  330.874   15.422  313.513   20.435  349.201   8.1731  339.296   11.146 9.905212 13.82136 
1 1 1  -33    2   18 o  303.002   6.7394  249.014   10.515  247.890   13.015  251.126   17.843  302.284   7.9676  303.719   10.872 -1.435089 13.47885 
1 1 1  -33    2   19 o  181.147   7.4886   88.665   6.9565   91.374   11.967   87.283   8.5492  183.018   12.101  179.276   8.8250 3.742401 14.97710 
1 1 1  -33    2   20 o  126.668   11.240   43.729   7.6935   0.0000   0.0000   43.729   7.6935  ?   ?   126.668   11.240      ?      ? 
1 1 1  -33    2   21 o  353.229   8.4263  341.100   16.061  327.928   23.016  353.604   22.423  346.455   12.294  360.003   11.527 -13.54825 16.85255 
1 1 1  -33    2   22 o  185.959   13.118   94.707   13.182   94.707   13.182   0.0000   0.0000  185.959   13.118  ?   ?       ?      ? 
1 1 1  -33    2   24 o  160.551   10.299   72.222   8.7473   56.914   12.584   86.532   12.167  143.432   16.237  177.670   12.673 -34.23819 20.59722 
1 1 1  -33    2   25 o   52.776   14.565   4.1813   5.7226   2.0886   6.9608   8.5450   10.052   44.341   18.183   61.212   22.759 -16.87118 29.13065 
1 1 1  -33    2   26 o  154.702   6.9839   65.290   5.8339   68.534   8.2862   62.101   8.2149  158.543   9.6721  150.861   10.077 7.682098 13.96778 
1 1 1  -33    2   27 o   48.420   12.662   3.3226   4.9898  -3.8434   7.1862   9.9940   6.9339   36.816   16.697   60.024   19.041 -23.20863 25.32480 
1 1 1  -33    2   28 o  201.070   5.8654  109.774   6.3650  116.023   9.2777  104.216   8.7487  206.459   8.3160  195.680   8.2739 10.77931 11.73088 
1 1 1  -33    2   29 o  177.295   6.3097   85.727   6.0443   84.162   8.5429   87.295   8.5528  175.661   9.0000  178.930   8.8458 -3.268875 12.61940 
1 1 1  -33    2   30 o   53.727   13.150   6.5454   5.1002   12.074   7.0690   0.5428   7.3656   64.674   18.984   42.780   18.200 21.89304 26.29906 
1 1 1  -33    2   31 o   64.467   13.708   11.922   5.2154   9.7065   7.3626   14.154   7.3888   59.406   19.682   69.529   19.086 -10.12291 27.41636 
1 1 1  -33    2   32 o  170.179   6.5682   79.227   6.0353   83.197   8.5656   75.312   8.5050  174.459   9.0861  165.899   9.4873 8.559967 13.13643 
1 1 1  -33    2   33 o   58.306   11.147   5.5954   5.1218  -9.2345   7.1715   21.035   7.3174   31.395   15.006   85.218   16.487 -53.82310 22.29315 
1 1 1  -33    2   34 o  150.927   6.9372   62.227   5.6364   55.137   7.7177   70.332   8.2511  141.689   10.080  160.164   9.5337 -18.47446 13.87437 
1 1 1  -33    2   35 o   97.947   10.623   28.252   5.2586   35.161   7.2112   20.405   7.6850  112.672   11.844   83.221   17.637 29.45173 21.24505 
1 1 1  -33    2   36 o  198.501   6.0854  108.027   6.5212  104.765   9.3300  111.143   9.1184  195.496   8.8319  201.505   8.3742 -6.009155 12.17082 
1 1 1  -33    2   37 o   46.472   12.758   3.1106   4.9937  -2.6652   7.2894   8.2184   6.8549   37.940   17.047   55.004   18.987 -17.06376 25.51665 
1 1 1  -33    2   38 o  112.775   9.1500   35.815   5.5387   38.170   7.5902   33.134   8.1005  117.039   12.002  108.510   13.815 8.528801 18.30007 
1 1 1  -33    2   39 o   65.718   13.550   12.733   5.3153   8.0907   7.4570   17.528   7.5785   55.189   19.741   76.248   18.567 -21.05901 27.10084 
1 1 1  -33    2   40 o  160.968   7.1631   71.922   6.2064   78.329   8.7231   65.355   8.8323  168.450   9.5832  153.486   10.649 14.96393 14.32628 
1 1 1  -33    2   41 o   75.149   13.591   17.333   5.7047   11.901   8.0470   22.821   8.0885   63.159   20.560   87.140   17.780 -23.98067 27.18119 
1 1 1  -33    2   42 o  113.059   10.038   36.882   6.0106   44.493   8.4527   29.097   8.5486  125.693   12.445  100.424   15.753 25.26833 20.07590 
1 1 1  -33    2   43 o  120.911   9.1489   41.613   5.9400   46.386   8.3584   36.742   8.4431  128.321   12.054  113.501   13.766 14.81959 18.29789 
1 1 1  -33    2   44 o   63.505   14.522   12.281   5.7402   14.319   8.0327   10.154   8.2058   67.836   20.318   59.175   20.754 8.661400 29.04439 
1 1 1  -33    2   45 o   56.475   14.320   8.6469   5.6639   5.5543   7.8351   12.032   8.1970   50.151   19.725   62.799   20.765 -12.64801 28.64047 
1 1 1  -33    2   46 o   73.159   14.487   17.043   6.0549   21.125   8.7006   13.209   8.4317   81.546   19.917   64.771   21.043 16.77499 28.97403 
1 1 1  -33    2   47 o   37.105   12.151  -4.9832   5.7767  -3.3819   8.3646  -6.4434   7.9875   39.029   17.821   35.182   16.522 3.847626 24.30130 
1 1 1  -33    2   48 o   82.945   13.893   22.450   6.1487   20.103   8.8094   24.680   8.5860   77.904   20.608   87.986   18.638 -10.08223 27.78673 
1 1 1  -33    2   49 o   57.771   14.970   10.047   6.1247   8.6050   8.4768   11.622   8.8591   54.931   20.800   60.612   21.535 -5.681114 29.94004 
1 1 1  -33    2   52 o   65.925   16.209   13.091   7.8591   2.0305   10.043   30.563   12.623   45.276   20.199   86.573   25.356 -41.29718 32.41768 
1 1 1  -33    2   53 o   54.883   15.313   9.2130   6.7038   9.7956   9.2323   8.5633   9.7502   55.662   21.547   54.104   21.763 1.557598 30.62555 
1 1 1  -33    2   54 o   45.817   13.972   3.7985   6.3698   0.7079   8.8481   7.1234   9.1774   41.697   18.753   49.937   20.717 -8.240337 27.94428 
1 1 1  -33    3    1 o   47.009   12.297   4.1397   4.3315   0.7414   6.0938   7.6098   6.1579   39.966   16.755   54.052   18.004 -14.08641 24.59416 
1 1 1  -33    3    2 o  112.860   7.7109   34.623   4.7011   34.513   6.7250   34.729   6.5744  112.675   11.045  113.044   10.763 -0.3689728 15.42175 
1 1 1  -33    3    3 o  146.799   6.3616   58.420   5.0437   61.118   7.2314   55.863   7.0384  150.104   8.9155  143.495   9.0771 6.608521 12.72318 
1 1 1  -33    3    4 f  196.673   5.6135  104.296   5.9478  116.127   8.7480   94.126   8.1109  207.001   7.8208  186.346   8.0549 20.65500 11.22701 
1 1 1  -33    3    5 o  169.098   5.9825   77.611   5.4585   75.891   7.8834   79.195   7.5654  167.278   8.7214  170.918   8.1913 -3.640518 11.96501 
1 1 1  -33    3    6 o  111.733   8.1949   34.877   4.7940   25.736   6.9226   43.300   6.6453   97.174   13.184  126.293   9.7375 -29.11909 16.38977 
1 1 1  -33    3    7 o  185.119   5.7771   92.880   5.7593   82.910   8.0257  103.464   8.2694  174.854   8.4942  195.383   7.8325 -20.52898 11.55416 
1 1 1  -33    3    8 o  274.352   5.2802  203.926   7.8267  205.389   11.182  202.520   10.959  275.311   7.5161  273.392   7.4182 1.919312 10.56039 
1 1 1  -33    3    9 o  300.122   5.3694  243.550   8.6960  254.609   12.712  233.822   11.922  306.502   7.6751  293.743   7.5110 12.75903 10.73881 
1 1 1  -33    3   10 o  167.635   6.1797   76.269   5.5957   74.537   7.9582   77.962   7.8696  165.740   8.8858  169.529   8.5905 -3.789032 12.35938 
1 1 1  -33    3   11 o  123.259   7.7520   41.479   5.1170   34.797   7.1727   48.405   7.3021  113.050   11.742  133.467   10.125 -20.41673 15.50399 
1 1 1  -33    3   12 o  161.799   6.3474   71.062   5.5496   71.061   7.8333   71.062   7.8633  161.800   8.9594  161.797   8.9938 0.2868652E-02 12.69486 
1 1 1  -33    3   13 o  254.357   5.5166  175.309   7.5758  178.519   10.984  172.398   10.462  256.561   7.9231  252.154   7.6784 4.407501 11.03329 
1 1 1  -33    3   14 o  153.617   6.9357   64.576   5.7008   54.368   8.0770   74.710   8.0474  141.362   10.574  165.872   8.9784 -24.50912 13.87139 
1 1 1  -33    3   15 o  198.671   5.7823  107.075   6.2049  107.781   8.9202  106.414   8.6369  199.294   8.2831  198.048   8.0704 1.245956 11.56466 
1 1 1  -33    3   16 f   45.463   13.521   1.1161   5.5124   1.9714   6.9226  -0.3658   9.1126   44.270   18.141   46.655   20.055 -2.384827 27.04269 
1 1 1  -33    3   17 f  171.180   7.7023   80.243   6.8701   81.611   8.6808   77.950   11.239  173.321   9.2687  169.038   12.304 4.283600 15.40458 
1 1 1  -33    3   18 o  413.219   7.4543  461.028   15.568  475.000   27.567  454.486   18.864  417.267   12.226  409.170   8.5317 8.096588 14.90870 
1 1 1  -33    3   19 o  278.672   6.6493  209.897   9.4446  214.617   16.423  207.564   11.545  280.731   10.826  276.614   7.7237 4.117096 13.29869 
1 1 1  -33    3   20 o  297.601   6.7842  234.399   10.253  222.798   12.384  259.685   18.282  286.505   7.9990  308.697   10.960 -22.19174 13.56842 
1 1 1  -33    3   21 o  163.659   13.053   73.311   11.543   0.0000   0.0000   73.311   11.543  ?   ?   163.659   13.053      ?      ? 
1 1 1  -33    3   22 o  264.553   11.232  191.059   16.057   0.0000   0.0000  191.059   16.057  ?   ?   264.553   11.232      ?      ? 
1 1 1  -33    3   23 o   58.643   22.678   6.7004   10.218   0.0000   0.0000   6.7004   10.218  ?   ?    58.643   22.678      ?      ? 
1 1 1  -33    3   24 o  112.670   13.407   36.190   7.8762   34.099   11.862   37.838   10.533  108.494   20.992  116.845   16.683 -8.351166 26.81387 
1 1 1  -33    3   25 o   56.192   14.014   2.6193   5.9365  -5.1430   7.3820   16.829   9.9878   36.051   16.565   76.334   22.610 -40.28355 28.02858 
1 1 1  -33    3   26 o  111.792   8.7848   33.889   5.2682   40.172   7.8994   28.856   7.0702  121.064   12.075  102.520   12.762 18.54424 17.56954 
1 1 1  -33    3   27 o  178.199   6.3601   87.006   6.0880   79.965   8.8561   93.314   8.3828  171.227   9.5716  185.171   8.3778 -13.94460 12.72014 
1 1 1  -33    3   28 o   46.893   13.162   3.1868   5.0010   5.6388   7.4875   1.2119   6.7197   51.619   19.548   42.167   17.630 9.452404 26.32373 
1 1 1  -33    3   29 o  119.277   8.3050   39.120   5.3298   38.675   7.8857   39.494   7.2316  118.556   12.309  119.999   11.152 -1.443367 16.60999 
1 1 1  -33    3   30 o   47.937   12.942   4.1099   4.9293  -0.4297   7.3385   7.8418   6.6538   41.328   17.881   54.546   18.714 -13.21759 25.88321 
1 1 1  -33    3   31 o  110.440   9.3468   34.505   5.3853   24.511   7.6393   44.378   7.5928   93.788   15.074  127.093   11.056 -33.30507 18.69351 
1 1 1  -33    3   32 o  111.742   9.3212   34.767   5.4158   47.706   7.9365   23.491   7.4090  131.704   11.152   91.780   14.939 39.92328 18.64230 
1 1 1  -33    3   33 o   41.975   12.671   0.4344   5.0811   0.9114   7.0178  -0.0911   7.3664   42.228   17.856   41.723   17.984 0.5054970 25.34261 
1 1 1  -33    3   34 o  157.507   7.1018   68.206   6.0053   78.527   8.6278   58.507   8.3639  169.227   9.4350  145.787   10.617 23.44043 14.20356 
1 1 1  -33    3   35 o  136.016   7.7207   50.714   5.5992   40.252   7.5997   63.137   8.2810  120.572   11.664  151.460   10.118 -30.88812 15.44131 
1 1 1  -33    3   36 o  133.607   7.7114   49.424   5.5517   53.141   7.8065   45.619   7.8969  138.833   10.406  128.380   11.383 10.45325 15.42282 
1 1 1  -33    3   37 o  141.115   7.5559   55.095   5.7447   60.436   8.1860   49.911   8.0639  147.992   10.236  134.239   11.117 13.75349 15.11174 
1 1 1  -33    3   38 o   52.245   13.652   6.5625   5.1831   8.8829   7.2996   4.2031   7.3607   56.683   19.592   47.808   19.018 8.875443 27.30433 
1 1 1  -33    3   39 o  243.236   5.8514  162.208   7.6875  165.926   11.074  158.750   10.681  245.898   8.3339  240.573   8.2160 5.324265 11.70284 
1 1 1  -33    3   40 o  105.095   10.240   31.294   5.7461   25.379   7.9104   37.902   8.3606   94.213   15.538  115.977   13.341 -21.76366 20.47944 
1 1 1  -33    3   41 o  109.056   9.8040   33.772   5.7702   32.065   8.1877   35.458   8.1332  106.159   14.273  111.952   13.444 -5.793854 19.60796 
1 1 1  -33    3   42 o   50.092   13.769   4.9036   5.5363   8.9813   7.9433   1.0515   7.7204   56.898   20.373   43.287   18.530 13.61134 27.53883 
1 1 1  -33    3   43 o   95.185   11.383   26.797   5.5773   35.348   8.1145   19.140   7.6784  111.419   13.478   78.951   18.347 32.46803 22.76570 
1 1 1  -33    3   44 o  150.375   7.8910   63.353   6.3610   74.023   9.1737   53.472   8.8278  162.915   10.421  137.835   11.852 25.07993 15.78194 
1 1 1  -33    3   45 o   54.466   14.306   7.3847   5.8180   11.595   8.3006   3.3190   8.1570   61.828   20.904   47.104   19.536 14.72333 28.61129 
1 1 1  -33    3   46 o   67.477   14.725   14.419   6.0643   10.446   8.6138   18.323   8.5391   59.354   21.219   75.600   20.421 -16.24628 29.44935 
1 1 1  -33    3   47 o   48.978   14.212   4.1700   6.1091   6.9049   8.5952   1.3780   8.6846   52.887   20.702   45.068   19.476 7.819324 28.42354 
1 1 1  -33    3   48 o   85.374   12.889   23.573   5.9081   16.314   8.5414   30.232   8.1809   69.902   20.955  100.846   15.013 -30.94432 25.77784 
1 1 1  -33    3   52 o   71.944   15.995   16.424   7.4717   6.3827   9.3393   34.279   12.454   49.756   20.792   94.131   24.313 -44.37498 31.99055 
1 1 1  -33    3   53 o   48.114   14.167   3.5170   6.5198   10.696   9.3103  -3.3917   9.1331   57.021   21.749   39.207   18.161 17.81422 28.33448 
1 1 1  -33    3   54 o   45.306   13.930   3.6925   6.4031   5.5869   8.9509   1.7070   9.1635   47.483   20.126   43.130   19.264 4.353462 27.85978 
1 1 1  -33    4    1 o   71.217   11.860   14.300   4.4862   16.699   6.6836   12.333   6.0521   76.611   16.622   65.823   16.922 10.78799 23.72037 
1 1 1  -33    4    2 o  125.248   7.2592   42.470   4.9042   45.653   7.1855   39.693   6.7101  129.627   10.258  120.869   10.274 8.757866 14.51831 
1 1 1  -33    4    3 o  208.313   5.4869  116.984   6.1572  125.750   9.1593  109.757   8.3167  215.385   7.8697  201.241   7.6480 14.14377 10.97381 
1 1 1  -33    4    4 o  186.826   5.6792   94.520   5.7266   96.689   8.3387   92.583   7.8782  188.841   8.1717  184.810   7.8889 4.031006 11.35834 
1 1 1  -33    4    5 f  135.901   7.1928   50.016   5.2728   52.846   7.7437   47.570   7.1997  139.466   10.275  132.336   10.068 7.130081 14.38566 
1 1 1  -33    4    6 f  187.333   5.6921   94.758   5.7498  101.424   8.4720   89.065   7.8289  193.412   8.1062  181.254   7.9932 12.15762 11.38429 
1 1 1  -33    4    7 o   48.771   12.375   4.0206   4.5990   9.9479   6.5917  -1.6014   6.4196   60.100   18.491   37.442   16.452 22.65823 24.75064 
1 1 1  -33    4    8 o  153.704   6.4226   64.239   5.3230   61.762   7.6880   66.519   7.3773  150.826   9.4329  156.582   8.7190 -5.755753 12.84529 
1 1 1  -33    4    9 o  270.334   5.4473  197.991   7.9504  200.730   11.519  195.500   10.987  272.103   7.8343  268.565   7.5706 3.537720 10.89453 
1 1 1  -33    4   10 o   92.440   9.8174   23.333   4.9015   24.387   7.0060   22.322   6.8599   94.497   13.720   90.384   14.045 4.112846 19.63473 
1 1 1  -33    4   11 o  127.641   7.7164   43.840   5.2729   53.220   7.8834   36.247   7.0930  139.898   10.428  115.383   11.376 24.51450 15.43275 
1 1 1  -33    4   12 o  141.626   7.0984   54.560   5.4265   53.755   7.8250   55.306   7.5318  140.596   10.300  142.656   9.7706 -2.059906 14.19677 
1 1 1  -33    4   13 o  134.107   7.4300   49.472   5.3167   41.402   7.6345   57.072   7.4085  123.282   11.460  144.932   9.4597 -21.65058 14.86004 
1 1 1  -33    4   14 o  180.640   6.2400   89.201   6.0489   81.071   8.8069   96.461   8.3225  172.732   9.4354  188.548   8.1685 -15.81610 12.48007 
1 1 1  -33    4   15 o  110.624   9.0227   33.724   5.3315   28.293   7.6172   38.940   7.4648  101.708   13.860  119.541   11.556 -17.83335 18.04544 
1 1 1  -33    4   16 o  121.165   10.052   42.464   6.1615   48.953   7.8762   32.230   9.8915  134.098   10.869  108.232   16.913 25.86652 20.10446 
1 1 1  -33    4   17 o  408.530   7.4136  455.849   15.462  448.874   26.544  459.431   19.022  405.672   12.109  411.387   8.5568 -5.715302 14.82727 
1 1 1  -33    4   18 o  264.111   6.8088  188.312   9.1096  193.446   16.050  185.873   11.064  266.470   11.147  261.752   7.8226 4.718445 13.61766 
1 1 1  -33    4   19 o  329.926   5.6901  295.551   10.136  292.534   14.586  298.369   14.097  328.264   8.2229  331.589   7.8674 -3.324402 11.38030 
1 1 1  -33    4   20 o  165.892   8.9230   75.263   7.9962   73.176   11.319   77.342   11.298  163.566   12.807  168.218   12.429 -4.651886 17.84594 
1 1 1  -33    4   21 o   40.400   13.005  -8.8301   6.6505 -17.8761   9.3355   0.4914   9.4766   32.328   15.836   48.472   20.633 -16.14371 26.00955 
1 1 1  -33    4   22 o   65.850   20.038   12.224   7.7672   0.0000   0.0000   12.224   7.7672  ?   ?    65.850   20.038      ?      ? 
1 1 1  -33    4   23 o  240.898   8.3033  158.723   10.800  159.662   15.611  157.860   14.957  241.525   11.961  240.270   11.520 1.254898 16.60654 
1 1 1  -33    4   24 o  263.083   8.2835  189.539   11.751  174.144   16.512  205.338   16.726  252.134   12.119  274.033   11.296 -21.89851 16.56691 
1 1 1  -33    4   25 o  186.643   7.6182   92.906   7.4194   86.937   9.2265  103.829   12.481  178.585   9.5610  194.702   11.863 -16.11646 15.23639 
1 1 1  -33    4   26 o   60.052   13.408   9.0330   5.2232   15.499   7.6868   3.4871   7.1192   73.061   19.214   47.042   18.707 26.01868 26.81627 
1 1 1  -33    4   27 o  100.549   10.593   28.576   5.5556   24.339   7.9665   32.588   7.7516   92.277   16.586  108.822   13.182 -16.54469 21.18680 
1 1 1  -33    4   28 o  179.027   6.5624   87.380   6.3350   88.610   9.2936   86.312   8.6583  180.152   9.5468  177.903   9.0066 2.249146 13.12482 
1 1 1  -33    4   29 o   56.316   13.870   8.0139   5.2080   10.290   7.6823   6.0782   7.0844   61.071   20.099   51.562   19.120 9.509117 27.74018 
1 1 1  -33    4   30 o   58.641   13.368   9.2625   5.0976   13.554   7.0297   4.5027   7.4030   68.119   18.582   49.163   19.222 18.95656 26.73528 
1 1 1  -33    4   31 o   91.685   10.536   23.382   5.2086   22.856   7.1055   23.992   7.6577   90.646   14.506   92.725   15.283 -2.078560 21.07163 
1 1 1  -33    4   32 o  133.020   7.9788   48.568   5.7219   53.419   8.3133   44.200   7.8876  139.367   11.039  126.672   11.523 12.69465 15.95751 
1 1 1  -33    4   33 o  127.884   8.2934   45.398   5.6847   51.647   8.0126   39.064   8.0666  136.997   10.824  118.771   12.569 18.22596 16.58682 
1 1 1  -33    4   34 o  121.401   8.4508   40.759   5.5400   42.281   8.0159   39.367   7.6654  123.554   12.006  119.248   11.896 4.306252 16.90158 
1 1 1  -33    4   35 o   73.631   12.387   15.854   5.2523   8.1001   7.4119   23.675   7.4440   55.551   19.702   91.711   15.021 -36.16014 24.77470 
1 1 1  -33    4   36 o  124.169   8.3114   42.803   5.5684   40.146   7.8709   45.466   7.8789  120.206   12.117  128.133   11.379 -7.926224 16.62285 
1 1 1  -33    4   37 o  221.860   6.0900  134.947   7.2976  140.046   10.503  130.187   10.147  225.912   8.6034  217.808   8.6216 8.103699 12.17993 
1 1 1  -33    4   38 o  106.581   10.062   32.083   5.7907   33.463   8.2012   30.712   8.1775  108.962   13.929  104.200   14.523 4.761467 20.12304 
1 1 1  -33    4   39 o  117.379   8.8088   38.538   5.5777   41.560   7.9749   35.644   7.8039  121.997   12.097  112.760   12.808 9.236404 17.61757 
1 1 1  -33    4   40 o  122.566   8.8993   42.416   5.8413   48.542   8.2423   36.235   8.2795  131.868   11.567  113.265   13.528 18.60303 17.79864 
1 1 1  -33    4   41 o  128.514   8.5651   46.061   5.9152   39.837   8.0513   53.361   8.7191  118.974   12.523  138.053   11.688 -19.07860 17.13026 
1 1 1  -33    4   42 f   65.487   13.797   13.076   5.3853   9.4295   7.6440   16.669   7.5881   57.450   20.038   73.524   18.972 -16.07367 27.59459 
1 1 1  -33    4   43 o   89.794   12.076   24.595   5.6653   13.205   7.8318   37.097   8.2051   65.390   20.162  114.198   13.297 -48.80763 24.15160 
1 1 1  -33    4   44 o   74.101   13.821   17.025   5.6986   13.181   7.9169   21.158   8.2091   65.340   20.292   82.862   18.769 -17.52142 27.64120 
1 1 1  -33    4   45 o   55.672   14.356   8.6308   5.6239   9.7872   8.0146   7.5090   7.8937   57.895   20.492   53.449   20.110 4.445057 28.71146 
1 1 1  -33    4   46 o  151.969   8.0639   65.273   6.6138   64.710   9.5645   65.789   9.1557  151.161   11.709  152.778   11.090 -1.616928 16.12773 
1 1 1  -33    4   47 o   45.110   13.518   1.2958   5.9131   6.3960   8.5772  -3.3237   8.1630   51.820   20.556   38.401   17.562 13.41925 27.03630 
1 1 1  -33    4   48 o   99.563   12.295   30.715   6.4109   25.654   8.9022   36.167   9.2399   89.261   19.037  109.865   15.564 -20.60386 24.58989 
1 1 1  -33    4   49 o   83.223   17.204   24.324   8.0227   24.791   9.7685   23.356   14.062   86.676   21.063   79.771   27.206 6.905502 34.40711 
1 1 1  -33    4   52 o   36.674   12.301  -7.2688   6.6423  -3.3284   9.1729 -11.6126   9.6309   39.209   18.176   34.139   16.580 5.070324 24.60231 
1 1 1  -33    4   53 o  176.562   7.9569   91.014   7.5811   95.374   10.668   86.566   10.775  181.248   10.892  171.875   11.602 9.372589 15.91382 
1 1 1  -33    4   54 o   60.694   15.583   14.127   6.6108   14.846   9.2251   13.369   9.4781   62.065   21.983   59.322   22.092 2.742142 31.16594 
1 1 1  -33    5    1 o  226.786   5.4140  139.650   6.6110  136.651   9.7116  142.240   9.0249  224.477   8.0062  229.094   7.2902 -4.617462 10.82809 
1 1 1  -33    5    2 o  357.073   5.6387  345.849   10.871  342.981   15.666  348.512   15.097  355.616   8.1523  358.530   7.7924 -2.914490 11.27750 
1 1 1  -33    5    3 o   87.653   10.152   21.420   4.6727   19.814   6.7956   22.860   6.4355   83.763   15.587   91.543   13.010 -7.779793 20.30320 
1 1 1  -33    5    4 f  251.043   5.2885  170.243   7.1532  178.004   10.612  163.780   9.6839  256.250   7.6638  245.837   7.2898 10.41286 10.57707 
1 1 1  -33    5    5 o  146.832   6.6444   58.811   5.2466   53.339   7.5254   63.986   7.3187  140.112   9.9395  153.552   8.8204 -13.43985 13.28881 
1 1 1  -33    5    6 o   80.896   10.888   18.504   4.5705   18.373   6.7579   18.615   6.2049   80.490   16.100   81.303   14.663 -0.8127441 21.77623 
1 1 1  -33    5    7 o  210.833   5.5683  120.678   6.3268  118.331   9.2415  122.748   8.6798  208.870   8.1880  212.795   7.5485 -3.924866 11.13659 
1 1 1  -33    5    8 o  239.078   7.4288  154.936   9.5973   0.0000   0.0000  154.936   9.5973  ?   ?   239.078   7.4288      ?      ? 
1 1 1  -33    5    9 o   51.957   12.834   6.0438   4.6397   9.9872   6.6785   2.3650   6.4506   60.206   18.627   43.708   17.659 16.49791 25.66753 
1 1 1  -33    5   10 o  202.456   5.8015  110.659   6.3296  118.761   9.3833  103.894   8.5741  209.213   8.3000  195.700   8.1080 13.51349 11.60299 
1 1 1  -33    5   11 o  281.980   5.4729  215.209   8.3213  221.843   12.247  209.520   11.342  285.983   7.9248  277.977   7.5505 8.006500 10.94588 
1 1 1  -33    5   12 o  179.621   6.1358   87.320   5.9454   92.355   8.7222   82.950   8.1257  184.436   8.7517  174.806   8.6023 9.629501 12.27155 
1 1 1  -33    5   13 o  372.648   5.8381  376.929   11.749  373.916   16.870  379.766   16.373  371.171   8.4111  374.126   8.0986 -2.954224 11.67624 
1 1 1  -33    5   14 o  465.229   6.5923  586.532   16.532  608.543   24.410  567.880   22.470  473.210   9.5461  457.249   9.0943 15.96063 13.18465 
1 1 1  -33    5   15 o  175.921   7.7896   85.663   7.0760   89.373   8.9039   79.302   11.657  181.396   9.0838  170.447   12.657 10.94879 15.57924 
1 1 1  -33    5   16 o  207.954   6.1044  116.549   6.8200  125.158   10.335  109.910   9.0766  214.673   8.9096  201.235   8.3470 13.43835 12.20875 
1 1 1  -33    5   17 o  242.259   6.8059  160.587   8.3586  156.554   14.513  162.588   10.225  239.702   11.205  244.817   7.7289 -5.115433 13.61183 
1 1 1  -33    5   18 o  154.672   11.167   65.209   9.3331   65.209   9.3331   0.0000   0.0000  154.672   11.167  ?   ?       ?      ? 
1 1 1  -33    5   19 o  204.933   8.1377  114.268   8.9975  123.131   13.109  106.374   12.372  212.440   11.420  197.426   11.597 15.01378 16.27545 
1 1 1  -33    5   20 o  212.272   8.1498  122.842   9.3389  115.631   12.942  130.676   13.490  205.761   11.640  218.784   11.410 -13.02278 16.29967 
1 1 1  -33    5   21 o  325.923   7.8904  289.852   13.888  295.946   20.054  284.234   19.253  329.178   11.274  322.669   11.042 6.508514 15.78072 
1 1 1  -33    5   22 o  218.577   6.0777  130.623   7.1394  117.896   10.261  142.565   9.9400  208.111   9.1244  229.043   8.0313 -20.93207 12.15547 
1 1 1  -33    5   23 o  263.977   8.4104  191.281   11.962  177.613   17.096  204.392   16.744  254.553   12.429  273.400   11.334 -18.84615 16.82073 
1 1 1  -33    5   24 o  164.135   10.191   74.051   9.0034   76.441   13.420   72.095   12.141  166.420   14.924  161.849   13.882 4.570969 20.38199 
1 1 1  -33    5   25 o   95.944   12.766   24.168   6.3464   13.209   8.0241   42.477   10.371   67.984   20.295  123.905   15.490 -55.92066 25.53113 
1 1 1  -33    5   26 o  138.764   8.1652   52.831   6.0954   59.080   8.6878   46.772   8.5543  146.956   10.940  130.571   12.124 16.38478 16.33046 
1 1 1  -33    5   27 o  128.552   8.2803   45.257   5.7438   46.779   8.3942   43.916   7.8765  130.549   11.899  126.554   11.518 3.995171 16.56051 
1 1 1  -33    5   28 o  204.777   6.2351  114.463   6.8645   99.975   9.5811  129.744   9.8400  191.352   9.2660  218.203   8.3454 -26.85158 12.47015 
1 1 1  -33    5   29 o  194.458   6.2058  102.982   6.5066  106.467   9.5828  100.002   8.8629  197.456   8.9812  191.459   8.5667 5.997635 12.41164 
1 1 1  -33    5   30 o  146.602   7.6281   60.208   5.8904   45.921   8.4597   73.653   8.2067  129.065   12.130  164.139   9.2527 -35.07436 15.25617 
1 1 1  -33    5   31 f   86.373   12.120   21.627   5.4549   24.185   7.8717   19.263   7.5660   91.577   16.515   81.169   17.745 10.40850 24.24087 
1 1 1  -33    5   32 o  100.416   9.9777   28.251   5.3757   30.916   7.4457   25.348   7.7694  105.610   13.047   95.221   15.100 10.38940 19.95544 
1 1 1  -33    5   33 o   94.624   10.614   25.089   5.4236   26.312   7.7445   23.912   7.5980   96.938   14.785   92.311   15.232 4.626770 21.22734 
1 1 1  -33    5   34 f  214.861   5.9884  125.968   6.9241  130.419   10.341  122.351   9.3225  218.191   8.7706  211.531   8.1559 6.660172 11.97671 
1 1 1  -33    5   35 o   99.433   10.112   27.955   5.3833   24.392   7.7502   31.276   7.4832   92.961   15.429  105.904   13.076 -12.94334 20.22448 
1 1 1  -33    5   36 o  185.490   6.4316   94.536   6.4419   93.503   9.2568   95.506   8.9703  184.442   9.2878  186.537   8.8992 -2.095184 12.86314 
1 1 1  -33    5   37 f   42.776   12.739   1.3451   5.0465  -0.0748   7.2429   2.6848   7.0354   40.972   17.746   44.580   18.280 -3.607811 25.47709 
1 1 1  -33    5   38 o  113.513   9.3744   36.291   5.7311   33.985   8.2482   38.444   7.9689  109.802   13.902  117.225   12.580 -7.422722 18.74881 
1 1 1  -33    5   39 o   94.688   11.914   27.192   5.7607   17.930   8.3009   35.796   8.0011   76.549   19.888  112.828   13.123 -36.27910 23.82733 
1 1 1  -33    5   40 o   88.615   12.397   23.528   5.7246   25.521   8.1469   21.585   8.0457   92.704   16.885   84.527   18.157 8.177536 24.79472 
1 1 1  -33    5   41 o  113.677   9.9621   36.894   5.9266   49.149   8.6616   26.105   8.1269  132.250   12.120   95.105   15.814 37.14484 19.92429 
1 1 1  -33    5   42 o  173.531   7.0179   83.786   6.5693   78.178   9.2851   89.408   9.2956  167.546   10.256  179.516   9.5826 -11.97063 14.03588 
1 1 1  -33    5   43 o  105.754   11.180   33.223   6.0091   23.584   8.3946   43.354   8.6057   87.858   18.277  123.649   12.880 -35.79079 22.35936 
1 1 1  -33    5   44 o   86.921   13.341   23.291   6.0931   26.136   8.7474   20.610   8.4922   92.577   18.135   81.265   19.572 11.31172 26.68187 
1 1 1  -33    5   45 o   34.040   11.422 -10.7989   5.9308 -19.6646   8.5194  -2.4619   8.2615   28.245   14.065   39.834   17.999 -11.58923 22.84302 
1 1 1  -33    5   46 o   61.417   14.708   11.278   6.0424   6.7756   8.5358   15.801   8.5547   52.750   20.636   70.083   20.963 -17.33321 29.41552 
1 1 1  -33    5   47 o  106.270   11.457   34.111   6.3363   41.230   9.1998   27.686   8.7395  118.476   14.370   94.064   17.847 24.41272 22.91319 
1 1 1  -33    5   48 o   47.555   14.080   3.8308   6.0764   4.6996   8.7541   3.0229   8.4412   48.983   20.270   46.127   19.548 2.855915 28.16023 
1 1 1  -33    5   49 o  175.286   14.519   88.792   11.169  180.901   18.528   36.216   13.998  249.288   13.755  101.284   25.573 148.0044 29.03713 
1 1 1  -33    5   51 o   35.657   17.727 -22.3919   13.305   0.0000   0.0000 -22.3919   13.305  ?   ?    35.657   17.727      ?      ? 
1 1 1  -33    5   52 o   41.318   13.032  -5.1354   6.6769   7.3293   9.3669 -18.0107   9.5200   52.003   21.182   30.633   15.189 21.37056 26.06483 
1 1 1  -33    5   53 o   42.038   13.508  -0.4649   6.6956   1.8697   9.7821  -2.5230   9.1843   44.661   19.929   39.415   18.242 5.245659 27.01692 
1 1 1  -33    6    1 o  367.717   5.7455  367.228   11.399  358.534   16.463  375.234   15.799  363.484   8.3819  371.951   7.8604 -8.466827 11.49097 
1 1 1  -33    6    2 o  208.206   5.6602  118.199   6.3301  110.488   9.2801  124.908   8.6565  201.769   8.5115  214.643   7.4634 -12.87407 11.32030 
1 1 1  -33    6    3 o  248.694   5.4026  167.893   7.2403  165.032   10.590  170.404   9.9212  246.666   7.9451  250.722   7.3229 -4.055908 10.80511 
1 1 1  -33    6    4 o  232.050   5.4917  145.979   6.8634  146.618   10.136  145.438   9.3272  232.485   8.0681  231.616   7.4524 0.8692169 10.98332 
1 1 1  -33    6    5 o  134.257   7.0194   48.878   5.0667   50.138   7.5968   47.870   6.7999  135.775   10.354  132.739   9.4801 3.035751 14.03876 
1 1 1  -33    6    6 o   87.635   10.782   21.528   4.9583   19.173   7.1404   23.722   6.8904   82.109   16.663   93.161   13.687 -11.05188 21.56369 
1 1 1  -33    6    7 o  406.765   6.0386  449.228   13.265  444.377   19.041  453.801   18.489  404.594   8.7093  408.936   8.3670 -4.341949 12.07722 
1 1 1  -33    6    8 o  198.949   5.9012  108.053   6.2983  100.778   9.2868  114.249   8.5704  192.649   8.9210  205.249   7.7274 -12.59995 11.80239 
1 1 1  -33    6    9 o  113.462   8.5749   34.946   5.2438   38.518   7.6997   31.855   7.1614  118.858   11.988  108.067   12.264 10.79066 17.14974 
1 1 1  -33    6   10 o  367.826   5.8168  367.104   11.553  367.848   16.659  366.415   16.037  368.156   8.3741  367.496   8.0756 0.6602478 11.63358 
1 1 1  -33    6   11 o   69.873   13.131   14.044   5.0547   12.441   7.4976   15.380   6.8439   66.452   19.564   73.295   17.518 -6.843468 26.26103 
1 1 1  -33    6   12 o  180.384   8.5967   88.329   8.3795   0.0000   0.0000   88.329   8.3795  ?   ?   180.384   8.5967      ?      ? 
1 1 1  -33    6   13 o  270.994   5.6026  199.274   8.1907  198.170   11.912  200.264   11.280  270.249   8.1572  271.739   7.6822 -1.489227 11.20520 
1 1 1  -33    6   14 o  199.126   7.1528  108.148   7.5840  109.707   9.9544  105.991   11.709  200.958   9.1669  197.293   10.983 3.665451 14.30556 
1 1 1  -33    6   15 o  169.391   6.8398   78.253   6.2404   72.568   8.9467   83.639   8.7085  163.330   10.137  175.453   9.1854 -12.12363 13.67955 
1 1 1  -33    6   16 o  332.037   6.8247  300.392   11.526  297.973   19.973  301.600   14.113  330.670   11.178  333.403   7.8334 -2.732605 13.64938 
1 1 1  -33    6   17 o  285.250   7.8513  220.824   12.102   0.0000   0.0000  220.824   12.102  ?   ?   285.250   7.8513      ?      ? 
1 1 1  -33    6   18 o  244.021   7.7833  162.418   10.232  161.824   15.050  162.928   13.953  243.517   11.437  244.525   10.560 -1.007950 15.56666 
1 1 1  -33    6   19 o  180.752   8.5462   88.967   8.3307   95.901   12.234   82.973   11.375  187.292   12.088  174.212   12.084 13.07999 17.09231 
1 1 1  -33    6   20 o  104.358   13.332   31.471   7.1902   21.653   10.135   41.419   10.202   86.149   21.764  122.567   15.404 -36.41785 26.66387 
1 1 1  -33    6   21 o  239.035   5.8488  155.085   7.5362  158.751   11.104  151.955   10.261  241.606   8.5053  236.462   8.0307 5.143967 11.69750 
1 1 1  -33    6   22 o  170.988   6.9677   79.974   6.3937   77.292   9.5267   82.172   8.6246  168.271   10.477  173.706   9.1883 -5.435287 13.93544 
1 1 1  -33    6   23 o  194.310   9.4173  103.222   9.8400  109.032   14.806   98.626   13.169  199.070   13.764  189.550   12.857 9.520126 18.83470 
1 1 1  -33    6   24 o  150.477   14.220   72.447   9.4391   16.054   12.880  137.883   13.874   76.512   26.038  224.442   11.439 -147.9295 28.43992 
1 1 1  -33    6   25 o  294.247   5.9336  235.106   9.4218  245.907   13.770  225.596   12.920  300.565   8.4780  287.928   8.3040 12.63730 11.86730 
1 1 1  -33    6   26 o   91.733   13.640   28.300   6.4873   36.851   7.9958   11.829   11.098  115.744   12.784   67.722   24.098 48.02235 27.27917 
1 1 1  -33    6   27 o   61.833   14.381   10.522   5.5495   10.718   8.1828   10.354   7.5515   62.506   20.751   61.161   19.917 1.345207 28.76282 
1 1 1  -33    6   28 o   61.302   13.526   10.011   5.2521   15.562   7.6198   4.9855   7.2493   72.849   19.117   49.754   19.140 23.09409 27.05172 
1 1 1  -33    6   29 o  182.599   6.4505   90.987   6.3446   92.638   9.3883   89.600   8.6076  184.049   9.4399  181.150   8.7934 2.898911 12.90099 
1 1 1  -33    6   30 o  158.354   7.0165   68.863   5.9870   63.519   8.5184   74.080   8.4163  152.170   10.360  164.539   9.4660 -12.36862 14.03305 
1 1 1  -33    6   31 o   54.020   13.856   7.0651   5.3001   4.6632   7.7454   9.1801   7.2682   50.009   19.630   58.031   19.561 -8.021454 27.71225 
1 1 1  -33    6   32 o   91.047   11.180   23.600   5.3933   23.225   7.5682   23.986   7.6876   89.615   16.226   92.478   15.384 -2.863144 22.35956 
1 1 1  -33    6   33 o  139.910   7.6525   53.725   5.7234   65.332   8.4049   43.689   7.8154  154.120   10.092  125.700   11.506 28.42075 15.30503 
1 1 1  -33    6   34 f   56.228   13.801   8.5153   5.1047   8.5368   7.6504   8.4980   6.8534   56.722   20.027   55.735   18.993 0.9871597 27.60135 
1 1 1  -33    6   35 o  188.472   6.3701   97.465   6.4852   93.901   9.1061  101.134   9.2383  184.942   9.1119  192.001   8.9043 -7.058990 12.74018 
1 1 1  -33    6   36 o  138.216   8.0930   53.060   6.0426   52.481   8.6204   53.620   8.4727  137.420   11.609  139.011   11.279 -1.590714 16.18605 
1 1 1  -33    6   37 o  143.561   7.8617   57.210   6.0565   48.779   8.4097   66.294   8.7296  132.345   11.759  154.777   10.438 -22.43274 15.72344 
1 1 1  -33    6   38 o   73.924   13.779   16.600   5.6309   13.772   7.9169   19.495   8.0106   67.530   20.159   80.318   18.791 -12.78777 27.55871 
1 1 1  -33    6   39 o  134.320   8.1890   50.627   5.9094   46.534   8.5753   54.328   8.1549  128.840   12.317  139.800   10.795 -10.95937 16.37807 
1 1 1  -33    6   40 o   77.480   13.225   18.342   5.4747   18.752   7.7542   17.934   7.7305   78.400   18.586   76.561   18.819 1.838501 26.45018 
1 1 1  -33    6   41 o   50.321   13.779   5.7405   5.3483   6.4482   7.5329   5.0212   7.5947   51.538   19.586   49.103   19.386 2.434818 27.55740 
1 1 1  -33    6   42 f  122.104   9.3463   42.869   6.0599   34.544   8.6429   50.918   8.4989  109.644   14.588  134.565   11.688 -24.92072 18.69253 
1 1 1  -33    6   43 o   94.636   11.931   26.361   5.8809   34.299   8.7360   19.782   7.9527  109.164   14.810   80.109   18.710 29.05508 23.86209 
1 1 1  -33    6   44 o   37.496   12.114  -4.3995   5.6323  -9.1439   8.2734  -0.3016   7.6891   33.920   16.186   41.072   18.027 -7.152554 24.22772 
1 1 1  -33    6   45 o   51.068   14.065   5.6190   5.7822   9.7562   8.2539   1.6322   8.1026   57.792   20.759   44.345   18.983 13.44664 28.12980 
1 1 1  -33    6   46 o   90.223   14.063   26.054   6.6881   22.555   9.4983   29.494   9.4191   83.192   21.098   97.255   18.601 -14.06228 28.12660 
1 1 1  -33    6   47 o   67.155   15.703   15.167   6.6297   16.051   9.5179   14.334   9.2399   68.770   22.359   65.540   22.055 3.230042 31.40611 
1 1 1  -33    6   48 o   65.330   17.454   13.419   8.1345   12.494   10.031   15.196   13.903   62.678   22.832   67.982   26.407 -5.303814 34.90893 
1 1 1  -33    6   49 o   43.381   20.694 -11.3221   13.500   0.0000   0.0000 -11.3221   13.500  ?   ?    43.381   20.694      ?      ? 
1 1 1  -33    6   51 o   72.317   18.943   22.604   9.8001   23.086   14.761   22.225   13.105   72.187   27.421   72.447   26.142 -0.2597275 37.88530 
1 1 1  -33    6   52 o   37.265   12.425  -6.8972   6.6300  -1.7748   9.2614 -12.2817   9.4955   40.974   18.726   33.556   16.335 7.418076 24.84942 
1 1 1  -33    6   53 f   47.100   14.265   4.7512   6.5729   1.5934   9.3244   7.8701   9.2667   43.284   19.375   50.916   20.941 -7.632332 28.52924 
1 1 1  -33    7    1 o   81.235   11.082   18.309   4.6444   21.668   7.2251   15.944   6.0630   87.560   15.854   74.910   15.490 12.65012 22.16489 
1 1 1  -33    7    2 o   95.448   9.5373   25.034   4.8555   24.013   7.4021   25.805   6.4329   93.634   14.630   97.263   12.240 -3.629005 19.07451 
1 1 1  -33    7    3 o  336.074   5.5918  306.122   10.130  310.021   14.901  302.773   13.812  338.019   8.1580  334.130   7.6498 3.889343 11.18361 
1 1 1  -33    7    4 o  144.486   6.8647   57.005   5.2940   54.975   8.0662   58.541   7.0167  142.142   10.502  146.829   8.8436 -4.687408 13.72939 
1 1 1  -33    7    5 o  192.460   5.9949  101.334   6.1808   92.564   9.1018  108.839   8.4198  184.602   9.1243  200.319   7.7784 -15.71729 11.98989 
1 1 1  -33    7    6 o  250.326   5.5424  170.338   7.4541  166.345   11.081  173.638   10.074  247.584   8.2824  253.069   7.3670 -5.484894 11.08474 
1 1 1  -33    7    7 o  224.540   5.7218  135.507   6.9074  150.256   10.425  123.964   9.2226  235.317   8.1982  213.763   7.9842 21.55446 11.44366 
1 1 1  -33    7    8 o  328.129   5.6426  292.375   9.9863  286.888   14.494  297.335   13.779  325.150   8.2492  331.109   7.7011 -5.959442 11.28521 
1 1 1  -33    7    9 o  129.491   7.7736   45.730   5.3946   45.049   8.1353   46.264   7.2071  128.563   11.710  130.420   10.227 -1.857574 15.54719 
1 1 1  -33    7   10 o  194.117   6.0892  102.644   6.3620   97.243   9.2616  107.469   8.7543  189.216   9.0582  199.018   8.1403 -9.801254 12.17848 
1 1 1  -33    7   11 o  192.495   5.9699  100.495   6.1676  101.258   9.2943   99.895   8.2445  193.097   8.9074  191.892   7.9509 1.204376 11.93984 
1 1 1  -33    7   12 o  120.964   8.2458   39.594   5.3081   50.072   7.8691   30.846   7.1903  135.623   10.738  106.305   12.517 29.31796 16.49164 
1 1 1  -33    7   13 o  277.270   6.6059  206.748   9.5930  200.386   12.070  217.658   15.806  271.722   8.2206  282.819   10.343 -11.09732 13.21171 
1 1 1  -33    7   14 o  296.823   6.8316  238.610   10.615  235.723   13.402  243.468   17.389  294.654   8.4172  298.993   10.763 -4.339417 13.66328 
1 1 1  -33    7   15 o  211.828   7.0845  122.480   7.5561  121.081   13.338  123.142   9.1693  210.655   11.717  213.001   7.9665 -2.346741 14.16908 
1 1 1  -33    7   16 o  221.191   7.8897  133.190   9.4022  136.419   13.909  130.473   12.759  223.589   11.512  218.793   10.792 4.795670 15.77946 
1 1 1  -33    7   17 o  217.637   7.7952  129.250   9.1618  127.905   13.150  130.518   12.772  216.495   11.240  218.778   10.803 -2.282730 15.59050 
1 1 1  -33    7   18 o  171.760   8.6666   80.870   8.0257   75.405   11.425   86.194   11.277  165.934   12.742  177.585   11.751 -11.65186 17.33329 
1 1 1  -33    7   19 o  214.461   6.9841  123.784   7.6611  130.135   13.311  120.638   9.3685  218.244   11.287  210.679   8.2293 7.565125 13.96825 
1 1 1  -33    7   20 o   78.242   12.780   17.501   5.2954   20.559   7.8680   14.968   7.1597   84.517   17.791   71.968   18.353 12.54922 25.56081 
1 1 1  -33    7   21 o  149.706   7.4737   60.746   6.0121   65.318   9.1021   57.206   8.0076  154.619   10.894  144.794   10.234 9.824753 14.94740 
1 1 1  -33    7   22 o   54.207   15.453   4.4191   6.2010   4.5991   12.544   4.3609   7.1335   59.747   24.444   48.667   18.913 11.08020 30.90618 
1 1 1  -33    7   23 o   94.558   16.335   26.104   8.2369   29.414   12.463   23.536   10.976   99.746   23.508   89.370   22.687 10.37553 32.67007 
1 1 1  -33    7   24 o  211.918   9.1929  124.049   10.439  118.491   15.597  128.559   14.050  207.328   13.922  216.507   12.009 -9.178909 18.38586 
1 1 1  -33    7   25 o   52.377   15.232   1.6137   6.0775   8.6194   12.431  -0.5865   6.9669   64.562   25.001   40.192   17.406 24.36924 30.46330 
1 1 1  -33    7   26 o  139.733   8.3656   54.905   6.1460   41.889   8.8965   66.789   8.5004  123.193   13.364  156.272   10.066 -33.07833 16.73122 
1 1 1  -33    7   27 f  197.927   7.5785  105.928   7.9045  100.975   10.017  114.099   12.868  192.159   9.6473  203.694   11.690 -11.53516 15.15708 
1 1 1  -33    7   28 o   67.589   13.773   13.026   5.4587   17.663   7.9090   8.8078   7.5436   77.491   19.027   57.688   19.918 19.80212 27.54567 
1 1 1  -33    7   29 o  122.038   8.3853   41.220   5.5023   38.546   8.0125   43.607   7.5692  118.132   12.552  125.945   11.122 -7.812904 16.77058 
1 1 1  -33    7   30 o  151.890   7.2703   62.957   5.9506   68.709   8.8082   58.128   8.0709  158.231   10.302  145.548   10.262 12.68344 14.54069 
1 1 1  -33    7   31 o  152.043   7.4314   63.777   6.0824   58.883   8.7342   68.386   8.4753  146.220   11.054  157.865   9.9353 -11.64568 14.86287 
1 1 1  -33    7   32 o  160.018   7.0577   70.196   6.0573   71.856   9.1855   68.918   8.0576  161.536   10.523  158.500   9.4078 3.036591 14.11539 
1 1 1  -33    7   33 o  228.251   5.9510  142.682   7.3239  141.322   10.687  143.886   10.057  227.121   8.7081  229.381   8.1135 -2.259811 11.90209 
1 1 1  -33    7   34 o  206.036   6.1008  116.728   6.7646  110.481   9.8474  122.310   9.3086  200.641   9.0827  211.430   8.1475 -10.78912 12.20154 
1 1 1  -33    7   35 o   65.333   13.433   11.977   5.2334   18.353   7.9107   7.0148   6.9788   78.126   18.936   52.540   19.059 25.58613 26.86639 
1 1 1  -33    7   36 o  119.742   8.6254   39.922   5.5666   41.236   8.2225   38.811   7.5634  121.451   12.529  118.033   11.858 3.418381 17.25088 
1 1 1  -33    7   37 o   73.472   13.830   16.524   5.6179   14.354   8.3037   18.356   7.6290   68.861   20.666   78.083   18.385 -9.221794 27.66024 
1 1 1  -33    7   38 o   86.183   12.246   22.317   5.5726   15.710   7.9368   28.740   7.8261   71.708   19.821  100.659   14.388 -28.95181 24.49277 
1 1 1  -33    7   39 o   59.414   14.146   9.8657   5.4389   13.386   8.1260   7.0090   7.3205   66.311   20.552   52.516   19.443 13.79517 28.29178 
1 1 1  -33    7   40 o  125.318   8.8374   44.295   5.9668   43.667   8.7388   44.844   8.1668  124.267   13.014  126.369   11.960 -2.101799 17.67475 
1 1 1  -33    7   41 f  110.190   9.5867   34.604   5.7018   32.913   8.0813   36.280   8.0459  107.349   13.931  113.031   13.173 -5.681404 19.17332 
1 1 1  -33    7   42 o   49.519   13.939   4.9195   5.6015   6.3098   8.1703   3.6863   7.6945   52.083   20.240   46.954   19.170 5.129131 27.87719 
1 1 1  -33    7   43 o   53.185   14.381   7.0164   5.7624   7.3858   8.3113   6.6744   7.9964   54.022   20.563   52.348   20.111 1.674522 28.76217 
1 1 1  -33    7   44 o   69.207   14.166   15.293   6.1377   7.0573   9.0814   22.218   8.3275   54.031   21.241   84.382   18.750 -30.35029 28.33255 
1 1 1  -33    7   45 o   69.421   13.853   13.797   6.3241   26.487   9.2941   2.8555   8.6301   91.821   19.342   47.020   19.837 44.80109 27.70620 
1 1 1  -33    7   46 o   61.135   14.650   11.097   6.0079   17.249   8.9586   6.0683   8.0992   71.939   21.437   50.331   19.972 21.60873 29.29907 
1 1 1  -33    7   47 o   32.624   11.228 -12.5856   6.1926 -10.6875   9.4956 -13.9904   8.1688   35.304   16.978   29.943   14.697 5.360987 22.45551 
1 1 1  -33    7   48 o  218.215   13.925  106.904   11.973  314.640   24.212   39.662   13.775  328.960   13.621  107.470   24.292 221.4894 27.84991 
1 1 1  -33    7   50 o   93.577   26.114   35.743   13.706   0.0000   0.0000   35.743   13.706  ?   ?    93.577   26.114      ?      ? 
1 1 1  -33    7   51 o   93.979   16.107   29.235   8.2396   17.890   10.296   49.437   13.740   69.401   23.282  118.556   22.265 -49.15498 32.21474 
1 1 1  -33    7   52 o   48.766   14.691   5.1105   6.8706   2.2318   9.6000   8.1333   9.8374   45.011   19.933   52.521   21.585 -7.509544 29.38108 
1 1 1  -33    8    1 o  147.227   6.7025   58.354   5.2933   63.364   8.0977   54.615   6.9946  152.662   9.8162  141.792   9.1289 10.86987 13.40503 
1 1 1  -33    8    2 o  193.084   5.9988  102.293   6.1799   92.570   9.2266  110.203   8.3224  184.588   9.2502  201.580   7.6404 -16.99226 11.99758 
1 1 1  -33    8    3 o  172.169   6.2319   80.556   5.7398   80.028   8.7423   80.956   7.6097  171.611   9.4274  172.728   8.1530 -1.117310 12.46381 
1 1 1  -33    8    4 o  135.399   7.2178   49.252   5.2448   55.328   8.0086   44.690   6.9402  142.604   10.393  128.195   10.019 14.40901 14.43564 
1 1 1  -33    8    5 o  169.981   6.4066   77.754   5.8344   83.856   8.9731   73.285   7.6793  175.665   9.4529  164.297   8.6498 11.36852 12.81318 
1 1 1  -33    8    6 o   96.275   10.015   26.474   4.9147   21.291   7.4021   30.559   6.5725   86.652   16.409  105.899   11.486 -19.24706 20.02944 
1 1 1  -33    8    7 o  169.371   6.3280   75.899   5.7066   96.749   8.8583   61.107   7.4610  188.767   8.6843  149.975   9.2064 38.79205 12.65606 
1 1 1  -33    8    8 o   67.050   13.143   12.221   4.9692   16.980   7.6915   8.8106   6.5103   76.900   18.692   57.201   18.483 19.69940 26.28687 
1 1 1  -33    8    9 o  118.717   8.3881   38.460   5.3320   38.252   8.0923   38.619   7.0882  118.359   12.653  119.076   11.016 -0.7172546 16.77625 
1 1 1  -33    8   10 o  161.221   6.8080   70.750   5.8577   70.124   8.9981   71.211   7.7168  160.521   10.374  161.922   8.8195 -1.400940 13.61607 
1 1 1  -33    8   11 o  116.103   8.7703   38.125   5.3039   29.331   7.9741   45.103   7.1030  103.467   14.262  128.740   10.210 -25.27309 17.54054 
1 1 1  -33    8   12 o  117.979   9.9172   38.188   6.2381   38.476   8.2013   37.793   9.6089  118.644   12.792  117.313   15.158 1.331055 19.83444 
1 1 1  -33    8   13 o  378.339   7.1578  390.846   14.109  394.209   17.785  385.135   23.176  380.927   8.6402  375.752   11.414 5.175415 14.31553 
1 1 1  -33    8   14 o   51.846   13.485  -1.4342   5.6490   15.045   9.8728  -9.4554   6.8879   73.119   22.652   30.574   14.638 42.54544 26.97042 
1 1 1  -33    8   15 o  108.336   12.002   32.427   6.7551   41.509   10.166   25.248   9.0392  122.801   15.320   93.870   18.478 28.93153 24.00308 
1 1 1  -33    8   16 o   73.343   14.827   15.473   6.3896   10.126   9.3069   20.241   8.7879   63.099   22.104   83.588   19.767 -20.48918 29.65338 
1 1 1  -33    8   17 o  108.048   12.730   32.743   7.2673   35.743   10.632   30.113   9.9561  113.535   17.330  102.561   18.652 10.97427 25.46034 
1 1 1  -33    8   18 o   92.074   12.414   22.501   5.9122   31.036   9.8747   17.732   7.3815  105.750   17.281   78.398   17.827 27.35184 24.82793 
1 1 1  -33    8   19 o  132.626   7.9877   47.435   5.6830   53.967   8.6935   42.560   7.5098  140.469   11.453  124.784   11.137 15.68462 15.97542 
1 1 1  -33    8   20 o  108.738   9.3211   32.795   5.4140   29.783   8.0485   35.284   7.3168  103.972   14.326  113.503   11.930 -9.531197 18.64230 
1 1 1  -33    8   21 o  103.922   10.454   30.860   5.5775   25.650   8.3554   35.047   7.4907   94.787   16.934  113.057   12.261 -18.26984 20.90722 
1 1 1  -33    8   22 o   57.688   16.789   3.6218   8.2829   6.1869   13.149   1.9342   10.665   62.664   25.249   52.713   22.135 9.951027 33.57826 
1 1 1  -33    8   23 o   78.764   17.468   16.267   8.3402   25.653   13.409   10.345   10.651   92.710   25.814   64.819   23.540 27.89165 34.93541 
1 1 1  -33    8   24 o   79.169   14.660   16.879   6.5211   9.9565   8.3706   27.568   10.401   61.253   20.990   97.085   20.471 -35.83204 29.31966 
1 1 1  -33    8   25 o  254.091   5.9476  175.529   8.1012  179.272   12.311  172.670   10.759  256.346   8.8876  251.835   7.9061 4.511536 11.89520 
1 1 1  -33    8   26 o  175.448   9.2037   87.073   7.5958   80.698   14.711   89.390   8.8695  169.980   16.016  180.916   9.0726 -10.93590 18.40750 
1 1 1  -33    8   27 o   59.184   14.327   8.7795   5.5726   12.933   8.5338   5.6920   7.3580   67.145   21.103   51.224   19.383 15.92087 28.65388 
1 1 1  -33    8   28 o  150.689   9.8837   66.778   7.4669   76.295   9.4456   50.923   12.192  166.747   10.483  134.630   16.759 32.11708 19.76740 
1 1 1  -33    8   29 o   79.115   12.980   18.262   5.4140   19.830   8.1748   17.037   7.2257   82.034   18.839   76.196   17.860 5.837479 25.95942 
1 1 1  -33    8   30 o   58.766   14.135   9.0921   5.4436   12.236   7.9842   6.3612   7.4413   65.094   20.404   52.438   19.565 12.65601 28.26923 
1 1 1  -33    8   31 o   45.758   12.283  -1.3625   5.1750   11.232   7.7423 -11.5328   6.9575   62.602   20.148   28.914   14.054 33.68771 24.56569 
1 1 1  -33    8   32 o   37.400   12.004  -3.7925   5.3081  -6.3446   7.9340  -1.7246   7.1418   36.052   16.777   38.747   17.174 -2.694756 24.00889 
1 1 1  -33    8   33 o  101.461   10.336   29.064   5.6120   27.920   8.4368   29.972   7.5160   99.354   15.715  103.568   13.430 -4.213928 20.67162 
1 1 1  -33    8   34 o  161.269   7.1919   71.656   6.2595   76.858   9.0147   66.812   8.6984  166.972   9.9912  155.566   10.348 11.40660 14.38386 
1 1 1  -33    8   35 o  117.250   9.5269   39.601   5.8535   33.155   8.9428   44.433   7.7426  108.028   15.320  126.471   11.329 -18.44290 19.05376 
1 1 1  -33    8   36 o   83.703   12.539   21.881   5.6519   12.123   8.3877   29.996   7.6493   64.194   20.995  103.213   13.715 -39.01948 25.07772 
1 1 1  -33    8   37 o  218.267   6.2927  131.042   7.4107  132.575   10.805  129.680   10.183  219.373   9.1152  217.160   8.6778 2.212708 12.58535 
1 1 1  -33    8   38 f   54.366   14.429   7.1157   5.7600   9.6073   8.5675   5.0605   7.7809   58.975   21.154   49.756   19.629 9.219292 28.85765 
1 1 1  -33    8   39 o   41.793   12.784   0.2092   5.2809   1.4378   7.8821  -0.7916   7.1135   44.247   18.826   39.339   17.301 4.908459 25.56834 
1 1 1  -33    8   40 f   65.305   14.064   13.123   5.7051   7.7036   8.4494   17.663   7.7343   54.973   20.779   75.636   18.960 -20.66311 28.12881 
1 1 1  -33    8   41 o  108.086   10.560   33.744   6.1314   32.861   9.0893   34.480   8.3058  106.377   15.812  109.795   13.999 -3.417610 21.11901 
1 1 1  -33    8   42 o   58.847   14.545   9.5269   5.9091   5.2397   8.2104   14.134   8.5112   50.341   20.067   67.353   21.060 -17.01126 29.08934 
1 1 1  -33    8   43 o   64.389   15.135   12.839   6.2175   15.213   8.8052   10.479   8.7805   69.056   21.392   59.722   21.416 9.334423 30.26980 
1 1 1  -33    8   44 o   42.486   13.219  -0.6417   5.8656   2.3006   8.8790  -2.9199   7.8131   46.794   19.947   38.179   17.352 8.615017 26.43766 
1 1 1  -33    8   45 o   37.315   12.265  -7.1778   6.0288  -0.1054   9.1242 -12.6583   8.0319   44.049   19.473   30.580   14.917 13.46856 24.52994 
1 1 1  -33    8   46 o   60.787   15.278   11.756   6.3235   13.556   9.1415   10.104   8.7564   64.023   21.936   57.551   21.273 6.471725 30.55684 
1 1 1  -33    8   47 o   35.995   12.552 -18.1800   7.8146 -20.2198   9.5982 -14.1689   13.459   30.413   15.109   41.577   20.049 -11.16406 25.10481 
1 1 1  -33    8   48 o  177.345   14.503   70.844   11.975  258.559   23.754   6.8761   13.866  296.238   14.839   58.452   24.922 237.7863 29.00519 
1 1 1  -33    8   50 o   92.941   17.415   37.243   10.242   18.480   15.833   50.743   13.430   66.328   27.337  119.555   21.582 -53.22733 34.82961 
1 1 1  -33    8   51 o   45.791   14.168   2.1323   6.7955  -1.6191   9.9263   5.4412   9.3226   42.340   19.364   49.243   20.688 -6.903038 28.33624 
1 1 1  -33    8   52 o   38.019   12.590  -7.0206   6.8891 -17.7061   9.9364   2.8703   9.5599   31.050   15.417   44.988   19.908 -13.93796 25.17993 
1 1 1  -33    9    1 o   40.052   11.838  -0.2237   4.6151  -6.4542   7.2208   4.0792   6.0008   34.345   15.990   45.760   17.459 -11.41576 23.67513 
1 1 1  -33    9    2 o   53.829   13.388   7.0716   4.7736   7.6094   7.4517   6.6973   6.2167   55.796   19.758   51.862   18.072 3.934307 26.77631 
1 1 1  -33    9    3 o  226.565   5.7054  138.883   6.9214  142.552   10.584  136.142   9.1487  229.108   8.5494  224.023   7.5575 5.084656 11.41084 
1 1 1  -33    9    4 o  179.037   6.2737   87.910   5.9976   80.582   8.9700   93.836   8.0656  172.135   9.6435  185.939   8.0275 -13.80396 12.54741 
1 1 1  -33    9    5 o  220.585   5.9021  132.169   6.9876  131.615   10.497  132.611   9.3635  220.106   8.8259  221.065   7.8385 -0.9588776 11.80414 
1 1 1  -33    9    6 o   72.742   12.314   15.824   4.9888   9.0139   7.9008   20.339   6.4335   59.303   20.389   86.182   13.815 -26.87883 24.62862 
1 1 1  -33    9    7 o  106.359   8.9773   30.759   5.1064   31.998   7.8676   29.857   6.7123  108.124   13.466  104.594   11.876 3.529495 17.95463 
1 1 1  -33    9    8 o  178.654   6.4615   87.326   6.1754   82.166   9.2521   91.473   8.2930  173.775   9.8530  183.533   8.3620 -9.757767 12.92301 
1 1 1  -33    9    9 o  239.898   5.7245  153.437   7.3200  173.047   11.560  140.313   9.4574  252.407   8.4758  227.389   7.6969 25.01801 11.44909 
1 1 1  -33    9   10 o  288.636   5.6841  225.275   8.7938  233.192   13.410  219.303   11.648  292.990   8.4704  284.283   7.5823 8.706543 11.36829 
1 1 1  -33    9   11 o  260.198   5.8133  183.622   8.1324  186.445   12.167  181.342   10.933  261.940   8.5961  258.456   7.8285 3.484009 11.62660 
1 1 1  -33    9   12 o  245.539   6.6474  164.939   8.6821  169.482   11.411  158.694   13.380  249.741   8.4555  241.337   10.260 8.404068 13.29490 
1 1 1  -33    9   13 o   85.170   14.026   20.987   6.3243   21.340   9.2625   20.678   8.6562   85.770   20.301   84.571   19.359 1.199150 28.05178 
1 1 1  -33    9   14 o   90.408   14.570   23.442   6.9720   28.649   10.378   19.160   9.4124   99.647   19.969   81.169   21.221 18.47746 29.13920 
1 1 1  -33    9   15 o  255.827   7.7420  178.955   10.686  172.860   15.367  184.662   14.870  251.513   11.307  260.140   10.579 -8.626678 15.48397 
1 1 1  -33    9   16 o   73.311   15.210   15.156   6.6644   9.5608   9.3811   20.856   9.4692   62.051   22.148   84.570   20.853 -22.51855 30.41984 
1 1 1  -33    9   17 o  141.707   7.7369   54.105   5.8065   58.606   9.3252   51.254   7.4206  146.326   11.794  137.087   10.017 9.238754 15.47374 
1 1 1  -33    9   18 o  282.005   5.7730  216.332   8.7629  215.202   12.959  217.284   11.894  281.245   8.5271  282.765   7.7845 -1.520142 11.54598 
1 1 1  -33    9   19 f  269.494   5.8253  197.899   8.4191  194.430   12.648  200.658   11.282  267.254   8.7579  271.734   7.6834 -4.480469 11.65050 
1 1 1  -33    9   20 f  114.451   9.0926   36.432   5.5194   33.237   8.4338   38.826   7.2997  109.798   14.215  119.104   11.342 -9.305939 18.18519 
1 1 1  -33    9   21 o   64.134   14.563   12.292   6.3008  -6.3896   14.011   17.028   7.0544   51.534   23.349   76.734   17.412 -25.20019 29.12631 
1 1 1  -33    9   22 o  285.247   8.7381  224.581   13.368  213.469   19.861  233.784   18.074  278.433   13.201  292.060   11.452 -13.62714 17.47618 
1 1 1  -33    9   23 o  168.938   11.003   80.812   9.7859   71.104   15.075   87.883   12.865  159.379   17.504  178.496   13.338 -19.11632 22.00661 
1 1 1  -33    9   24 f   48.688   13.081   2.5188   5.5134  -6.6469   8.1790   10.152   7.4641   36.799   17.095   60.576   19.805 -23.77752 26.16231 
1 1 1  -33    9   25 o  170.686   6.8718   79.826   6.2711   78.864   9.5558   80.554   8.3112  169.621   10.426  171.751   8.9552 -2.129776 13.74368 
1 1 1  -33    9   26 o   97.386   11.414   28.139   5.5735   21.904   8.7181   32.448   7.2481   86.324   19.187  108.447   12.369 -22.12310 22.82826 
1 1 1  -33    9   27 o   59.727   16.230   7.6227   6.6037   7.8896   13.419   7.5374   7.5859   64.360   25.654   55.094   19.888 9.265961 32.46014 
1 1 1  -33    9   28 o  226.248   7.4379  138.689   8.8335  132.909   11.133  148.514   14.514  220.357   9.3495  232.139   11.571 -11.78139 14.87586 
1 1 1  -33    9   29 o  120.390   12.510   45.191   7.1317   53.551   8.9892   30.991   11.716  139.205   11.950  101.575   21.983 37.63019 25.02087 
1 1 1  -33    9   30 o  141.309   8.1818   56.167   6.1239   45.151   8.8673   66.212   8.4675  127.445   12.876  155.173   10.098 -27.72752 16.36360 
1 1 1  -33    9   31 o  197.617   6.4471  106.018   6.8250  115.382   10.512   99.194   8.9737  204.957   9.4914  190.277   8.7277 14.68027 12.89417 
1 1 1  -33    9   32 o  142.233   8.1274   56.203   6.2121   54.136   9.1761   57.951   8.4403  139.603   12.164  144.863   10.782 -5.259476 16.25486 
1 1 1  -33    9   33 f   78.601   13.267   18.569   5.5428   17.976   8.2395   19.059   7.4911   77.146   19.697   80.055   17.780 -2.909637 26.53453 
1 1 1  -33    9   34 o   44.245   13.251   1.2318   5.4480   2.6076   8.2406   0.1636   7.2611   47.149   19.602   41.342   17.837 5.806942 26.50257 
1 1 1  -33    9   35 o  218.683   6.2310  130.014   7.3187  145.148   11.119  118.444   9.7215  229.727   8.9571  207.639   8.6644 22.08783 12.46194 
1 1 1  -33    9   36 o  155.953   7.6157   67.470   6.3767   67.747   9.5779   67.250   8.5461  156.007   11.362  155.899   10.145 0.1082458 15.23147 
1 1 1  -33    9   37 f   50.156   14.245   4.6728   5.8677   4.8111   8.8188   4.5630   7.8600   51.224   20.665   49.087   19.612 2.137398 28.48983 
1 1 1  -33    9   38 o  209.987   6.5642  122.148   7.4193  118.515   10.885  125.300   10.140  206.827   9.7392  213.148   8.8035 -6.321350 13.12834 
1 1 1  -33    9   39 o  136.026   8.8380   53.946   6.2555   41.037   9.3148   64.550   8.4426  119.754   14.394  152.299   10.259 -32.54543 17.67598 
1 1 1  -33    9   40 o  102.139   11.949   32.155   6.1587   23.331   9.1643   39.423   8.3167   86.452   20.013  117.826   13.062 -31.37431 23.89824 
1 1 1  -33    9   41 o   98.300   12.380   29.567   6.2660   23.828   9.3485   34.248   8.4434   87.291   20.217  109.308   14.295 -22.01723 24.75988 
1 1 1  -33    9   42 o  134.100   9.0241   50.957   6.5183   56.945   9.5258   45.685   8.9387  141.643   12.446  126.557   13.071 15.08669 18.04829 
1 1 1  -33    9   43 o  132.501   9.2192   50.175   6.5816   51.472   9.7311   49.081   8.9352  133.834   13.456  131.169   12.606 2.664230 18.43842 
1 1 1  -33    9   44 o   41.910   13.314  -2.2069   6.2927   0.9279   9.3631  -4.7892   8.4980   45.877   20.021   37.943   17.556 7.934105 26.62743 
1 1 1  -33    9   45 o   53.998   14.589   7.5261   6.3148   1.5509   9.3781   12.483   8.5413   45.941   20.043   62.055   21.204 -16.11386 29.17719 
1 1 1  -33    9   46 o  102.902   14.763   30.787   8.0500   16.862   9.9669   56.914   13.653   70.436   22.879  135.368   18.664 -64.93169 29.52627 
1 1 1  -33    9   47 o  107.772   16.295   39.998   10.505   68.829   15.153   13.313   14.578  149.252   18.788   66.291   26.630 82.96084 32.59055 
1 1 1  -33    9   48 o   54.757   24.393   3.3176   14.588   0.0000   0.0000   3.3176   14.588  ?   ?    54.757   24.393      ?      ? 
1 1 1  -33    9   49 o   43.018   14.334 -14.0435   9.9186 -44.8649   15.523   7.2230   12.894   32.557   16.546   53.479   23.412 -20.92202 28.66873 
1 1 1  -33    9   50 o   54.517   15.998   3.7965   8.1926  -5.8577   10.549   18.468   13.005   40.075   18.872   68.959   25.839 -28.88437 31.99660 
1 1 1  -33    9   51 o   62.857   15.166   13.294   6.9567   23.856   10.119   3.8293   9.5795   79.188   22.558   46.525   20.278 32.66293 30.33277 
1 1 1  -33   10    1 o  163.655   6.9253   72.876   6.0415   73.268   9.3530   72.596   7.9139  163.929   10.559  163.381   8.9640 0.5476074 13.85060 
1 1 1  -33   10    2 o  310.366   5.7640  262.273   9.6270  254.126   14.146  269.302   13.139  305.780   8.5612  314.952   7.7202 -9.171600 11.52806 
1 1 1  -33   10    3 o  197.518   6.0802  106.665   6.4287  100.795   9.6195  111.403   8.6419  192.486   9.2484  202.549   7.8957 -10.06372 12.16034 
1 1 1  -33   10    4 o   43.514   12.840   1.2054   4.9266   2.0903   7.8524   0.6309   6.3268   46.712   19.252   40.317   16.996 6.395103 25.68023 
1 1 1  -33   10    5 o  207.732   6.0697  119.326   6.6919  101.743   9.9397  133.904   9.0503  193.350   9.5135  222.113   7.5405 -28.76358 12.13942 
1 1 1  -33   10    6 o   65.483   13.811   12.153   5.2330   11.415   8.0477   12.693   6.8881   64.358   20.524   66.609   18.485 -2.251396 27.62119 
1 1 1  -33   10    7 o   89.672   11.066   21.470   5.1217   30.662   8.2019   15.593   6.5575  105.641   14.368   73.704   16.834 31.93684 22.13197 
1 1 1  -33   10    8 o  192.165   6.2883   99.411   6.4339  106.197   10.130   94.823   8.3295  197.518   9.4914  186.811   8.2514 10.70700 12.57666 
1 1 1  -33   10    9 o  253.564   5.8320  175.483   7.9243  168.123   11.857  181.424   10.653  248.633   8.8254  258.495   7.6263 -9.862183 11.66401 
1 1 1  -33   10   10 o   89.194   11.665   21.841   5.4603   26.314   8.5042   18.703   7.1223   97.600   16.125   80.788   16.860 16.81210 23.32948 
1 1 1  -33   10   11 o  170.203   8.0969   79.532   7.3814   82.229   9.9097   76.171   11.063  173.604   10.564  166.802   12.274 6.801392 16.19389 
1 1 1  -33   10   12 o  219.620   7.7257  131.836   9.1576  128.761   13.178  134.707   12.735  217.074   11.234  222.165   10.608 -5.090927 15.45131 
1 1 1  -33   10   13 o  120.085   10.694   39.523   6.9153   44.234   10.233   35.563   9.3821  126.658   14.951  113.513   15.296 13.14405 21.38878 
1 1 1  -33   10   14 o  189.769   8.2818   98.461   8.4827  100.315   12.342   96.802   11.678  191.415   11.933  188.124   11.488 3.291321 16.56359 
1 1 1  -33   10   15 o  209.999   7.0332  114.257   7.4624  137.275   13.644  104.432   8.9138  224.056   11.269  195.941   8.4188 28.11415 14.06647 
1 1 1  -33   10   16 o   54.795   13.610   5.9034   5.2906   12.783   8.1576   0.9086   6.9507   67.166   20.555   42.424   17.845 24.74250 27.22044 
1 1 1  -33   10   17 o  163.052   7.0872   73.850   6.0958   65.431   9.3794   80.006   8.0206  154.658   11.223  171.446   8.6575 -16.78749 14.17434 
1 1 1  -33   10   18 o  232.036   6.1174  146.346   7.6078  148.337   11.552  144.822   10.110  233.320   9.1624  230.751   8.1080 2.568970 12.23473 
1 1 1  -33   10   19 o   89.560   11.691   23.007   5.4300   20.670   8.3141   24.746   7.1705   84.384   18.723   94.735   14.007 -10.35118 23.38264 
1 1 1  -33   10   20 o  100.632   11.625   32.666   5.5732   13.914   8.3967   47.434   7.4512   69.551   20.760  131.712   10.469 -62.16116 23.25078 
1 1 1  -33   10   21 o  211.611   9.5511  124.057   10.743  120.540   16.629  126.577   14.074  208.604   14.752  214.619   12.135 -6.015305 19.10214 
1 1 1  -33   10   22 o  124.644   14.205   44.953   8.8624   43.649   14.842   45.676   11.048  121.286   23.494  128.003   15.973 -6.717239 28.40977 
1 1 1  -33   10   23 o   45.120   14.041  -1.6928   6.6332   0.2082   8.7008  -4.3311   10.250   45.727   19.625   44.514   20.087 1.213070 28.08243 
1 1 1  -33   10   24 f  135.220   8.1760   49.430   5.8907   55.458   9.3110   45.407   7.6064  141.849   12.147  128.591   10.947 13.25818 16.35205 
1 1 1  -33   10   25 o  124.448   8.8839   42.945   5.9079   41.510   8.9597   44.049   7.8583  122.381   13.549  126.515   11.495 -4.133362 17.76777 
1 1 1  -33   10   26 o   81.486   13.110   19.432   5.6089   20.261   8.4897   18.790   7.4719   82.835   19.321   80.138   17.725 2.697594 26.21962 
1 1 1  -33   10   27 o   49.503   14.815   2.2859   6.4288  -7.9189   13.761   5.1350   7.2710   49.134   22.592   49.873   19.173 -0.7385597 29.63067 
1 1 1  -33   10   28 o  133.535   12.193   54.170   7.0501   45.023   14.087   57.226   8.1433  122.823   22.035  144.248   10.447 -21.42474 24.38624 
1 1 1  -33   10   29 o   73.605   15.903   16.373   6.8673   17.679   8.6996   14.214   11.186   76.692   20.569   70.519   24.260 6.173012 31.80599 
1 1 1  -33   10   30 o  142.726   10.031   57.814   7.5236   60.674   9.7397   53.581   11.847  147.831   12.192  137.622   15.931 10.20958 20.06119 
1 1 1  -33   10   31 o   68.398   14.253   13.492   5.5662   16.866   8.7882   11.232   7.1928   74.715   20.931   62.081   19.352 12.63435 28.50626 
1 1 1  -33   10   32 o   57.223   13.752   6.5929   5.5680   16.352   8.7610  -0.0202   7.2118   73.401   21.017   41.044   17.743 32.35701 27.50484 
1 1 1  -33   10   33 o  223.761   6.3035  137.801   7.5527  136.424   11.441  138.865   10.055  222.501   9.5161  225.021   8.2692 -2.520645 12.60696 
1 1 1  -33   10   34 o  139.475   8.6011   53.270   6.4092   65.828   9.7949   43.867   8.4757  153.712   11.792  125.237   12.524 28.47559 17.20229 
1 1 1  -33   10   35 o  123.808   9.3537   42.722   6.2054   46.116   9.5341   40.228   8.1737  127.817   13.804  119.799   12.626 8.017723 18.70749 
1 1 1  -33   10   36 o  147.389   8.2711   60.470   6.5313   62.640   9.9735   58.840   8.6423  149.411   12.353  145.367   11.002 4.043655 16.54225 
1 1 1  -33   10   37 o  173.454   7.2807   83.316   6.8009   86.869   10.119   80.389   9.1844  176.672   10.600  170.236   9.9842 6.436813 14.56146 
1 1 1  -33   10   38 o   38.687   12.280  -4.7605   5.6690   2.4529   8.0931 -11.7095   7.9435   46.026   19.303   31.348   15.186 14.67875 24.56004 
1 1 1  -33   10   39 o   56.269   13.762   8.2673   5.7505  -0.0009   8.7628   14.521   7.6209   44.154   19.316   68.385   19.608 -24.23063 27.52411 
1 1 1  -33   10   40 o   53.986   14.448   7.1356   5.8084   9.6147   8.5852   5.0429   7.8877   58.465   21.149   49.508   19.689 8.957371 28.89568 
1 1 1  -33   10   41 o   59.094   15.049   9.9801   6.2772   6.6636   9.3622   12.689   8.4607   54.105   21.472   64.083   21.092 -9.977795 30.09868 
1 1 1  -33   10   42 o   69.841   14.839   15.144   6.0138   19.252   9.4025   12.300   7.8233   76.890   21.689   62.791   20.258 14.09888 29.67839 
1 1 1  -33   10   43 f  143.790   8.5439   58.552   6.6182   62.063   9.8393   55.651   8.9437  147.554   12.340  140.026   11.820 7.528076 17.08785 
1 1 1  -33   10   44 o   67.400   15.216   14.675   6.3127   19.152   9.4993   11.135   8.4478   75.242   21.984   59.558   21.043 15.68359 30.43222 
1 1 1  -33   10   45 o   74.528   15.322   18.567   6.5414   21.408   9.7100   16.206   8.8514   79.486   21.904   69.570   21.431 9.915871 30.64475 
1 1 1  -33   10   46 o   85.830   17.178   25.484   9.7682   7.9482   13.986   42.185   13.649   59.726   25.228  111.934   23.322 -52.20783 34.35693 
1 1 1  -33   10   47 o   45.147   15.151  -9.5589   9.9728  -9.2658   14.111  -9.8514   14.096   45.337   21.493   44.956   21.361 0.3807640 30.30219 
1 1 1  -33   10   48 o   51.950   23.652   3.3356   14.599   0.0000   0.0000   3.3356   14.599  ?   ?    51.950   23.652      ?      ? 
1 1 1  -33   10   49 o   50.690   16.517   0.1081   10.526  -3.0923   15.660   2.7455   14.216   49.419   23.184   51.960   23.532 -2.541107 33.03418 
1 1 1  -33   10   50 o   41.050   13.487  -3.1853   7.1866  -2.2950   10.525  -3.9630   9.8368   42.353   19.575   39.748   18.559 2.605316 26.97417 
1 1 1  -33   10   51 o   53.982   15.558   9.5009   7.1770   13.234   10.672   6.4183   9.6975   58.811   23.055   49.153   20.896 9.658215 31.11596 
1 1 1  -33   11    1 o   60.997   13.824   10.096   5.0835   11.111   8.0218   9.4149   6.5714   63.548   20.515   58.446   18.536 5.102028 27.64853 
1 1 1  -33   11    2 o  178.388   6.5493   86.880   6.2059   85.383   9.6651   87.930   8.0950  176.944   10.108  179.831   8.3303 -2.887100 13.09866 
1 1 1  -33   11    3 o   53.695   13.497   7.0487   5.0374   3.2938   8.1455   9.3743   6.4103   49.181   19.853   58.210   18.289 -9.029037 26.99326 
1 1 1  -33   11    4 o   48.151   13.258   3.9541   4.8758   5.6797   7.7870   2.8413   6.2533   52.463   19.919   43.838   17.501 8.624561 26.51501 
1 1 1  -33   11    5 o  106.178   9.5986   31.586   5.2781   28.630   8.5727   33.391   6.6982  101.818   15.581  110.538   11.214 -8.719406 19.19720 
1 1 1  -33   11    6 o  138.607   7.5607   52.396   5.5553   52.728   8.7594   52.173   7.1851  138.836   11.676  138.378   9.6089 0.4572601 15.12138 
1 1 1  -33   11    7 o   77.679   12.435   17.831   5.1232   13.555   8.2249   20.542   6.5488   68.941   20.540   86.418   14.024 -17.47695 24.87084 
1 1 1  -33   11    8 o   98.575   10.288   26.406   5.3652   28.520   8.6382   25.079   6.8457  101.581   15.737   95.568   13.256 6.013184 20.57613 
1 1 1  -33   11    9 o  130.259   9.8930   47.257   6.6692   31.201   9.1855   65.158   9.6987  106.197   16.007  154.321   11.631 -48.12392 19.78599 
1 1 1  -33   11   10 o  295.856   7.7021  239.448   12.294  232.207   17.718  246.171   17.072  291.428   11.251  300.285   10.521 -8.857208 15.40422 
1 1 1  -33   11   11 o  126.131   11.067   45.008   7.3568   37.072   10.995   51.441   9.8992  115.441   17.626  136.820   13.389 -21.37894 22.13480 
1 1 1  -33   11   12 o  302.346   7.7733  250.443   12.668  237.838   18.251  262.162   17.598  294.838   11.455  309.854   10.510 -15.01614 15.54654 
1 1 1  -33   11   13 o   48.144   14.121   0.2290   5.8622   6.8604   10.132  -3.1081   7.1874   58.596   22.604   37.691   16.931 20.90501 28.24177 
1 1 1  -33   11   14 o  144.146   7.7466   56.279   5.9688   60.306   9.2629   53.419   7.8054  148.421   11.549  139.872   10.327 8.549286 15.49314 
1 1 1  -33   11   15 f   58.422   13.710   7.7515   5.2708   14.651   8.2874   3.0649   6.8302   71.229   20.455   45.615   18.262 25.61364 27.42055 
1 1 1  -33   11   16 o  110.341   9.7361   33.736   5.7203   32.289   8.7631   34.811   7.5510  108.067   15.006  112.614   12.409 -4.546463 19.47213 
1 1 1  -33   11   17 o  120.664   8.9848   39.988   5.7643   40.181   8.9969   39.854   7.5076  120.729   13.791  120.600   11.520 0.1283188 17.96964 
1 1 1  -33   11   18 o  268.822   7.8566  196.595   11.413   0.0000   0.0000  196.595   11.413  ?   ?   268.822   7.8566      ?      ? 
1 1 1  -33   11   19 o  107.105   10.005   32.060   5.6834   29.734   8.7296   33.770   7.4877  103.428   15.620  110.781   12.508 -7.353287 20.01064 
1 1 1  -33   11   20 o   52.828   23.689  -4.4347   14.003  -4.4347   14.003   0.0000   0.0000   52.828   23.689  ?   ?       ?      ? 
1 1 1  -33   11   21 o   47.521   15.321  -5.7512   8.2092  -4.6847   14.127  -6.2950   10.087   52.765   23.717   42.278   19.403 10.48790 30.64292 
1 1 1  -33   11   22 o  256.814   9.0192  180.568   12.206  189.212   19.750  175.225   15.527  261.177   13.994  252.450   11.382 8.727325 18.03835 
1 1 1  -33   11   23 o   81.891   13.103   19.503   5.5810   20.579   8.8037   18.780   7.2163   83.449   19.818   80.333   17.146 3.115784 26.20569 
1 1 1  -33   11   24 o  202.433   8.6052  111.902   9.4130   0.0000   0.0000  111.902   9.4130  ?   ?   202.433   8.6052      ?      ? 
1 1 1  -33   11   25 o  137.294   8.3685   52.103   6.1499   51.200   9.3110   52.802   8.1907  136.031   12.667  138.557   10.940 -2.526260 16.73698 
1 1 1  -33   11   26 o  102.521   10.540   29.206   5.8059   31.191   8.7883   27.668   7.7340  105.469   15.420   99.573   14.374 5.895401 21.08059 
1 1 1  -33   11   27 o  177.596   7.2347   88.318   6.8104   74.836   10.119   99.481   9.2078  164.610   11.376  190.582   8.9410 -25.97153 14.46947 
1 1 1  -33   11   28 o  148.331   11.543   69.971   7.3785   48.604   14.692   77.178   8.5325  129.001   21.077  167.662   9.4179 -38.66109 23.08545 
1 1 1  -33   11   29 o  153.102   11.384   68.073   7.5439   63.356   16.330   69.353   8.5060  147.443   20.496  158.761   9.9150 -11.31792 22.76840 
1 1 1  -33   11   30 o  139.233   10.353   54.382   7.6030   53.686   9.7302   55.473   12.183  138.693   12.983  139.773   16.130 -1.080612 20.70635 
1 1 1  -33   11   31 o  127.837   10.899   47.565   7.3044   54.323   9.7554   38.941   11.020  139.342   12.956  116.331   17.531 23.01139 21.79863 
1 1 1  -33   11   32 o  161.805   7.5850   72.985   6.5456   69.455   9.9483   75.679   8.6922  157.972   11.654  165.639   9.7114 -7.667953 15.17001 
1 1 1  -33   11   33 f  131.113   8.8038   48.453   6.1403   45.574   9.3754   50.615   8.1254  127.234   13.636  134.993   11.139 -7.759338 17.60769 
1 1 1  -33   11   34 o  106.414   11.478   34.934   5.9942   23.121   9.0605   44.130   7.9936   87.084   19.713  125.745   11.764 -38.66119 22.95677 
1 1 1  -33   11   35 o   86.159   13.127   22.910   6.0503   16.412   8.9505   28.378   8.2101   72.747   21.364   99.572   15.259 -26.82460 26.25353 
1 1 1  -33   11   36 o   86.785   12.631   22.800   5.7730   19.903   8.6911   25.088   7.7230   80.109   20.108   93.462   15.292 -13.35318 25.26210 
1 1 1  -33   11   37 o  104.788   10.903   31.568   6.1594   33.376   9.0993   30.038   8.3679  107.437   15.673  102.139   15.161 5.297989 21.80647 
1 1 1  -33   11   38 o   90.161   12.886   24.486   6.0082   27.125   9.2722   22.575   7.8884   94.027   18.905   86.296   17.515 7.731392 25.77112 
1 1 1  -33   11   39 o   44.252   13.552   0.5953   5.9907  -0.9070   8.7721   1.9083   8.2011   43.125   19.078   45.378   19.251 -2.252979 27.10318 
1 1 1  -33   11   40 o   92.242   13.030   26.041   6.2384   27.120   9.3579   25.179   8.3695   93.568   19.153   90.916   17.673 2.652122 26.06089 
1 1 1  -33   11   41 o  121.855   10.185   42.108   6.6136   53.219   10.136   33.871   8.7275  135.894   13.803  107.816   14.980 28.07810 20.36976 
1 1 1  -33   11   42 o   54.398   14.953   7.4662   6.2663   8.1204   9.4897   6.9604   8.3443   56.027   21.802   52.770   20.469 3.257404 29.90504 
1 1 1  -33   11   43 o   76.702   14.678   18.645   6.2458   25.593   9.8358   13.951   8.0851   88.043   20.973   65.362   20.540 22.68058 29.35622 
1 1 1  -33   11   44 o   45.736   13.435  -2.5448   6.3814   11.499   9.4689 -14.2306   8.6375   60.460   22.159   31.012   15.200 29.44814 26.87094 
1 1 1  -33   11   45 o   50.114   15.713  -0.5792   8.9599 -11.4820   14.062   6.8716   11.625   44.246   21.111   55.982   23.278 -11.73553 31.42513 
1 1 1  -33   11   46 o   49.384   15.871  -1.3907   9.2128  -3.3964   14.086   0.1088   12.179   49.420   22.772   49.347   22.113 0.7239151E-01 31.74195 
1 1 1  -33   11   47 o   36.486   18.215 -27.2523   14.666   0.0000   0.0000 -27.2523   14.666  ?   ?    36.486   18.215      ?      ? 
1 1 1  -33   11   48 o   59.608   17.727   9.3080   10.248   21.293   14.977  -1.2446   14.054   70.831   27.437   48.385   22.454 22.44518 35.45377 
1 1 1  -33   11   49 o   48.230   15.244   2.3643   8.0299   4.0075   10.070  -0.5041   13.306   48.237   20.909   48.222   22.188 0.1494980E-01 30.48758 
1 1 1  -33   11   50 f  108.690   12.752   40.010   7.1916   36.619   10.719   42.787   9.6983  101.380   20.275  116.000   15.472 -14.62048 25.50407 
1 1 1  -33   12    1 o   41.356   12.294   0.0463   4.9443  -7.0330   8.2068   4.0799   6.1947   36.690   17.071   46.022   17.696 -9.331085 24.58770 
1 1 1  -33   12    2 o   97.994   10.018   25.111   5.1530   32.562   8.6340   20.989   6.4223  108.638   14.708   87.351   13.606 21.28738 20.03603 
1 1 1  -33   12    3 o   85.013   11.769   20.453   5.1494   20.270   8.3433   20.565   6.5445   83.605   18.910   86.421   14.014 -2.815804 23.53736 
1 1 1  -33   12    4 o  103.347   9.8727   28.138   5.3933   36.984   8.7385   22.695   6.8545  115.903   13.953   90.791   13.972 25.11223 19.74540 
1 1 1  -33   12    5 o  116.123   9.2893   36.844   5.7210   38.097   9.0618   36.013   7.3771  117.584   14.262  114.662   11.906 2.922081 18.57865 
1 1 1  -33   12    6 o  187.325   7.6422   94.476   7.6696   79.785   10.214  113.468   11.613  170.823   11.065  203.826   10.544 -33.00327 15.28438 
1 1 1  -33   12    7 o  313.429   7.7658  268.223   13.099  272.297   19.486  264.865   17.692  315.444   11.432  311.413   10.514 4.030365 15.53156 
1 1 1  -33   12    8 o  236.558   7.7455  151.865   9.8121  161.104   15.085  145.090   12.918  242.605   11.507  230.512   10.371 12.09311 15.49107 
1 1 1  -33   12    9 o   85.762   14.105   22.161   6.6917   13.191   10.228   28.874   8.8483   69.448   23.205  102.076   16.042 -32.62798 28.21017 
1 1 1  -33   12   10 f  124.288   10.508   42.098   6.9466   45.811   11.007   39.640   8.9556  128.599   15.839  119.978   13.814 8.620499 21.01640 
1 1 1  -33   12   11 o   79.991   14.489   17.994   6.0198   21.047   10.465   16.484   7.3594   84.597   22.501   75.386   18.260 9.211136 28.97758 
1 1 1  -33   12   12 o   93.726   13.089   23.577   6.0831   31.374   10.837   19.990   7.3503  104.060   19.999   83.392   16.890 20.66786 26.17754 
1 1 1  -33   12   13 o   53.995   13.663   6.6563   5.4656  -0.2589   8.7841   11.025   6.9818   45.574   19.641   62.415   18.999 -16.84184 27.32626 
1 1 1  -33   12   14 o   42.739   12.584  -3.3474   5.2857   7.1570   8.3367 -10.4090   6.8353   55.934   20.741   29.544   14.257 26.39017 25.16833 
1 1 1  -33   12   15 o  161.769   7.5627   72.348   6.4733   67.655   10.051   75.675   8.4618  157.006   11.847  166.531   9.4032 -9.525162 15.12536 
1 1 1  -33   12   16 o  213.731   6.4399  125.224   7.3394  120.689   11.218  128.617   9.7047  210.149   9.8787  217.312   8.2644 -7.163345 12.87978 
1 1 1  -33   12   17 o   99.387   10.837   27.028   5.7504   30.259   9.0132   24.811   7.4677  104.188   16.009   94.586   14.611 9.601974 21.67430 
1 1 1  -33   12   18 o   75.155   13.968   16.528   5.6736   16.868   8.9358   16.299   7.3438   75.672   21.073   74.638   18.340 1.034256 27.93638 
1 1 1  -33   12   19 o  258.299   9.2035  182.305   12.846  182.305   12.846   0.0000   0.0000  258.299   9.2035  ?   ?       ?      ? 
1 1 1  -33   12   20 f  148.184   15.084   70.315   10.473   41.306   16.434   90.158   13.591  116.087   26.748  180.281   13.951 -64.19412 30.16745 
1 1 1  -33   12   21 o  137.954   14.532   56.978   9.6171   49.842   16.773   60.473   11.738  128.534   25.049  147.374   14.740 -18.83952 29.06416 
1 1 1  -33   12   22 o   50.534   14.543   2.0752   6.7219   8.2073   8.9311  -5.9369   10.209   58.277   21.496   42.792   19.595 15.48516 29.08681 
1 1 1  -33   12   23 o  193.711   6.7537  103.492   6.9493   98.522   10.719  107.095   9.1271  189.407   10.473  198.016   8.5300 -8.608841 13.50744 
1 1 1  -33   12   24 o  199.818   6.5475  108.513   6.9934  114.800   10.829  104.015   9.1595  204.586   9.7957  195.049   8.6903 9.537064 13.09493 
1 1 1  -33   12   25 o   64.785   14.386   11.994   5.5530   13.507   8.6044   10.914   7.2695   67.922   21.164   61.648   19.490 6.273438 28.77145 
1 1 1  -33   12   26 o   96.974   11.576   26.459   5.8922   30.771   9.1529   23.408   7.6998  104.269   16.245   89.678   16.497 14.59132 23.15286 
1 1 1  -33   12   27 o   64.379   14.126   10.957   5.6838   18.377   8.7515   5.5439   7.4747   78.056   20.489   50.703   19.452 27.35251 28.25216 
1 1 1  -33   12   28 o  146.095   8.1261   57.795   6.2965   66.020   10.138   52.630   8.0337  154.146   12.172  138.044   10.770 16.10228 16.25226 
1 1 1  -33   12   29 o   76.364   13.995   20.737   6.8793  -3.3086   14.330   27.939   7.8420   53.173   23.895   99.555   14.577 -46.38160 27.99048 
1 1 1  -33   12   30 o  228.276   8.9216  148.399   9.2341  140.360   18.917  150.914   10.580  221.987   15.770  234.564   8.3473 -12.57700 17.84312 
1 1 1  -33   12   31 o  102.287   13.573   30.264   7.2726   23.217   9.5766   39.865   11.178   87.097   20.660  117.477   17.609 -30.37977 27.14587 
1 1 1  -33   12   32 f   77.609   15.828   19.062   7.0068   21.093   8.8418   15.633   11.488   83.153   19.936   72.064   24.591 11.08893 31.65670 
1 1 1  -33   12   33 o   78.857   14.038   19.321   5.9579   17.128   9.2544   20.873   7.7860   74.341   21.693   83.372   17.823 -9.031227 28.07516 
1 1 1  -33   12   34 o  164.628   7.7246   74.278   6.7908   83.391   10.638   68.010   8.8222  172.796   11.393  156.460   10.435 16.33507 15.44929 
1 1 1  -33   12   35 o   62.989   14.711   10.789   6.0530   17.748   9.2514   5.5797   8.0040   75.146   21.621   50.832   19.954 24.31433 29.42167 
1 1 1  -33   12   36 o  102.361   11.335   30.214   6.2415   32.583   9.3829   28.334   8.3592  105.763   16.418   98.960   15.632 6.802376 22.66946 
1 1 1  -33   12   37 o  184.234   7.3941   95.080   7.3273   89.104   10.648  100.455   10.099  178.374   11.047  190.093   9.8312 -11.71852 14.78817 
1 1 1  -33   12   38 o   47.551   13.630   2.2123   6.0433  -6.2803   9.1383   8.8135   8.0567   38.653   17.994   56.449   20.478 -17.79603 27.25996 
1 1 1  -33   12   39 o  153.818   8.3878   66.734   6.9440   68.129   10.329   65.583   9.3798  155.011   12.332  152.624   11.373 2.387070 16.77560 
1 1 1  -33   12   40 o   44.357   13.638  -0.0387   6.1432   4.1704   9.2464  -3.3649   8.2196   49.965   20.767   38.749   17.683 11.21572 27.27538 
1 1 1  -33   12   41 o   76.628   14.943   19.299   6.4583   16.164   9.6539   21.839   8.6890   70.367   22.483   82.889   19.691 -12.52267 29.88666 
1 1 1  -33   12   42 o   62.870   15.169   12.783   6.3508   9.0892   9.4413   15.835   8.5827   56.627   21.827   69.113   21.071 -12.48577 30.33762 
1 1 1  -33   12   43 o   42.617   19.384  -2.3223   9.7766  -2.3223   9.7766   0.0000   0.0000   42.617   19.384  ?   ?       ?      ? 
1 1 1  -33   12   44 o   43.234   14.548 -10.6882   9.3498 -14.3333   13.841  -7.6284   12.681   42.250   20.363   44.218   20.782 -1.968349 29.09506 
1 1 1  -33   12   45 o   66.209   18.108   13.149   9.8108   4.0608   14.357   21.110   13.438   56.011   24.607   76.408   26.572 -20.39742 36.21624 
1 1 1  -33   12   46 o   28.791   14.428 -22.5998   9.6124   0.0000   0.0000 -22.5998   9.6124  ?   ?    28.791   14.428      ?      ? 
1 1 1  -33   12   47 o   54.168   16.935   4.6121   9.7525   14.581   15.205  -2.3559   12.712   62.686   26.382   45.649   21.241 17.03696 33.87030 
1 1 1  -33   12   48 o   70.868   19.213   19.051   10.278   29.302   16.324   12.318   13.230   81.076   29.187   60.660   24.993 20.41631 38.42590 
1 1 1  -33   12   49 o   75.518   14.588   19.504   7.2696   37.860   11.048   5.4863   9.6540  102.882   20.591   48.153   20.669 54.72993 29.17533 
1 1 1  -33   13    1 o  146.028   7.6128   57.929   5.8448   60.074   9.4994   56.622   7.4144  147.993   11.879  144.063   9.5244 3.929596 15.22550 
1 1 1  -33   13    2 o  119.089   9.1703   39.315   5.6347   37.928   9.3983   40.093   7.0403  117.109   14.852  121.069   10.761 -3.959610 18.34061 
1 1 1  -33   13    3 o  181.818   10.591   90.383   10.405   0.0000   0.0000   90.383   10.405  ?   ?   181.818   10.591      ?      ? 
1 1 1  -33   13    4 o  141.519   9.7199   55.602   7.2800   53.041   11.359   57.387   9.4835  138.426   15.186  144.613   12.136 -6.186966 19.43977 
1 1 1  -33   13    5 o  302.398   7.7401  250.533   12.568  247.297   18.790  253.153   16.907  300.404   11.575  304.393   10.279 -3.988770 15.48029 
1 1 1  -33   13    6 o  223.185   7.8412  136.469   9.3154  135.653   14.447  137.049   12.187  222.359   12.024  224.010   10.068 -1.651718 15.68244 
1 1 1  -33   13    7 o  178.413   8.6210   88.129   8.2094   81.689   12.339   93.243   10.996  172.259   13.256  184.567   11.026 -12.30849 17.24206 
1 1 1  -33   13    8 o  153.247   14.529   64.910   12.031   64.910   12.031   0.0000   0.0000  153.247   14.529  ?   ?       ?      ? 
1 1 1  -33   13    9 o  123.382   10.272   42.690   6.7275   34.373   9.6544   50.541   9.3797  111.217   16.064  135.547   12.806 -24.33023 20.54408 
1 1 1  -33   13   10 o  144.199   9.2242   58.990   6.6398   52.455   11.539   62.225   8.1187  137.480   15.532  150.919   9.9553 -13.43852 18.44845 
1 1 1  -33   13   11 o   46.930   14.032   0.6327   5.7062   3.8806   10.305  -0.8037   6.8528   54.331   22.183   39.528   17.191 14.80330 28.06454 
1 1 1  -33   13   12 o   37.534   12.187  -5.4860   5.4533  -2.9494   8.8365  -7.0464   6.9304   42.429   18.936   32.639   15.347 9.790836 24.37476 
1 1 1  -33   13   13 o  190.685   6.8551   97.281   6.8770  108.395   11.316   90.772   8.6597  198.942   10.526  182.427   8.7846 16.51508 13.71022 
1 1 1  -33   13   14 o   65.600   12.555   13.147   5.5417  -1.5644   9.3339   21.156   6.8870   45.188   19.847   86.013   15.382 -40.82567 25.11015 
1 1 1  -33   13   15 o   85.104   12.484   20.679   5.4430   22.852   8.7737   19.319   6.9399   88.379   18.941   81.829   16.268 6.549530 24.96813 
1 1 1  -33   13   16 f  104.867   10.707   30.252   5.9542   32.564   9.5063   28.760   7.6380  107.872   16.308  101.862   13.876 6.010071 21.41311 
1 1 1  -33   13   17 o  194.633   6.7732  103.864   7.0596  101.872   10.666  105.417   9.4177  192.797   10.238  196.470   8.8707 -3.673080 13.54649 
1 1 1  -33   13   18 o   63.353   13.714   11.742   5.5901   3.8376   9.1056   16.523   7.0818   51.561   20.929   75.145   17.727 -23.58377 27.42744 
1 1 1  -33   13   19 o  516.627   10.628  742.648   29.533  763.063   44.158  726.126   39.724  522.359   15.644  510.894   14.389 11.46555 21.25527 
1 1 1  -33   13   20 o  191.781   11.120  103.536   11.202  100.450   17.912  105.518   14.356  188.582   17.577  194.979   13.625 -6.396317 22.23984 
1 1 1  -33   13   21 o   37.475   12.658 -12.4856   6.9800 -14.7904   9.0560  -9.1126   10.955   33.031   16.051   41.920   19.577 -8.889061 25.31558 
1 1 1  -33   13   22 o   64.443   14.419   11.642   5.5678   14.122   8.7044   9.9253   7.2436   69.369   21.233   59.518   19.513 9.850407 28.83747 
1 1 1  -33   13   23 o  106.147   11.238   33.797   5.9184   24.859   9.1265   40.283   7.7747   91.646   19.051  120.648   11.925 -29.00230 22.47540 
1 1 1  -33   13   24 o  159.162   7.6720   69.379   6.5108   73.038   10.168   66.835   8.4767  162.462   11.582  155.862   10.065 6.599701 15.34398 
1 1 1  -33   13   25 o  126.477   9.2978   44.591   6.2284   44.679   9.8231   44.532   8.0544  126.187   14.406  126.766   11.758 -0.5798569 18.59554 
1 1 1  -33   13   26 o  148.849   8.0766   61.582   6.4145   59.763   9.7936   62.949   8.4887  146.607   12.362  151.091   10.397 -4.483749 16.15318 
1 1 1  -33   13   27 o  218.245   6.4427  130.587   7.5187  132.565   11.528  129.122   9.9186  219.433   9.7222  217.058   8.4564 2.375290 12.88535 
1 1 1  -33   13   28 o  100.855   11.184   28.461   5.9417   31.212   9.7010   26.809   7.5165  104.209   17.228   97.502   14.266 6.706741 22.36795 
1 1 1  -33   13   29 o   95.768   12.382   29.114   5.8706   19.070   9.3832   35.574   7.5253   78.682   21.471  112.853   12.340 -34.17033 24.76446 
1 1 1  -33   13   30 o   65.534   16.901   10.001   6.5907   17.101   14.513   8.1557   7.3975   75.839   27.488   55.229   19.672 20.61071 33.80216 
1 1 1  -33   13   31 o   75.457   16.752   18.072   6.9650   12.610   16.002   19.348   7.7362   70.802   28.080   80.113   18.275 -9.310883 33.50314 
1 1 1  -33   13   32 o   61.395   16.461   9.7216   7.4156   9.6347   9.5821   9.8514   11.709   60.084   22.245   62.705   24.269 -2.620193 32.92113 
1 1 1  -33   13   33 o  111.864   13.524   39.313   7.5966   47.870   10.102   28.176   11.525  129.577   14.427   94.151   22.878 35.42542 27.04716 
1 1 1  -33   13   34 o   68.499   14.721   14.526   5.8866   14.241   9.1686   14.726   7.6781   67.927   21.932   69.070   19.640 -1.142807 29.44106 
1 1 1  -33   13   35 o  110.418   10.734   34.956   6.2961   36.435   9.9184   33.957   8.1485  111.762   16.423  109.073   13.825 2.689056 21.46756 
1 1 1  -33   13   36 o   96.086   12.756   27.581   6.3170   31.144   9.8136   25.060   8.2546  101.073   18.655   91.099   17.403 9.973953 25.51260 
1 1 1  -33   13   37 o   48.088   14.127   3.1512   6.1432  -0.0124   9.2521   5.6457   8.2156   45.178   19.803   50.998   20.154 -5.820164 28.25497 
1 1 1  -33   13   38 o   59.128   13.544   9.3919   6.1060  -3.6017   9.5566   18.355   7.9374   41.814   19.076   76.442   19.232 -34.62822 27.08794 
1 1 1  -33   13   39 o   53.017   15.040   5.7857   6.5352   9.2141   10.080   3.2992   8.5839   58.455   22.546   47.579   19.912 10.87555 30.08014 
1 1 1  -33   13   40 f  126.404   15.501   46.990   10.588   46.990   10.588   0.0000   0.0000  126.404   15.501  ?   ?       ?      ? 
1 1 1  -33   13   41 o   34.861   11.649  -9.8407   6.2278 -22.9837   9.9554  -1.3905   7.9826   29.990   14.977   39.732   17.846 -9.742445 23.29793 
1 1 1  -33   13   42 o   75.715   15.245   17.840   7.1532   31.137   10.950   7.9416   9.4479   96.731   21.505   54.699   21.613 42.03190 30.48979 
1 1 1  -33   13   43 o  140.843   13.902   67.802   10.538   4.4122   14.152  146.689   15.788   56.327   24.596  225.359   12.964 -169.0328 27.80378 
1 1 1  -33   13   44 o   61.254   17.935   9.8475   9.7325   7.9685   14.238   11.495   13.334   59.617   25.332   62.891   25.396 -3.273167 35.87062 
1 1 1  -33   13   45 o   96.390   16.065   36.786   8.4543   24.910   14.626   42.745   10.360   76.229   27.600  116.552   16.450 -40.32288 32.13066 
1 1 1  -33   13   46 o   68.595   18.838   19.642   10.151   16.209   15.871   22.018   13.204   64.480   27.036   72.710   26.240 -8.229988 37.67587 
1 1 1  -33   13   47 o   61.182   18.620   11.840   11.065   11.721   17.091   11.926   14.517   61.624   26.967   60.739   25.682 0.8848000 37.23940 
1 1 1  -33   13   48 o   95.669   15.140   33.757   7.6007   31.948   11.455   35.179   10.159   90.801   23.247  100.537   19.402 -9.736412 30.28017 
1 1 1  -33   14    1 o   92.332   13.164   25.097   6.3466   20.865   9.6999   28.266   8.3923   83.899   21.344  100.765   15.413 -16.86608 26.32738 
1 1 1  -33   14    2 o  191.713   8.0415  102.004   8.2343   90.991   12.153  111.351   11.196  181.760   12.373  201.666   10.274 -19.90659 16.08293 
1 1 1  -33   14    3 o  123.630   11.079   45.609   6.7222   32.410   10.426   55.000   8.7944  105.759   18.939  141.501   11.502 -35.74218 22.15771 
1 1 1  -33   14    4 o  168.074   8.4918   77.093   7.6492   82.387   11.730   73.176   10.090  172.916   12.553  163.232   11.439 9.683670 16.98357 
1 1 1  -33   14    5 o  154.345   8.7756   66.377   6.8331   63.401   11.889   67.845   8.3500  151.180   14.553  157.510   9.8105 -6.330139 17.55122 
1 1 1  -33   14    6 o   67.908   13.889   13.892   5.7636   6.1253   9.3508   18.650   7.3192   55.694   21.650   80.122   17.403 -24.42801 27.77805 
1 1 1  -33   14    7 o   77.545   13.321   15.986   5.6251   26.970   9.2034   9.4353   7.1071   96.438   18.331   58.651   19.333 37.78740 26.64170 
1 1 1  -33   14    8 o   71.807   14.682   14.587   6.2136   20.561   9.1375   9.4482   8.4745   83.438   20.430   60.175   21.092 23.26275 29.36428 
1 1 1  -33   14    9 o  128.923   9.6272   46.943   6.4548   42.074   10.335   50.057   8.2649  122.860   15.567  134.986   11.331 -12.12644 19.25440 
1 1 1  -33   14   10 o  219.261   7.3295  128.566   8.0445  140.203   14.682  123.575   9.6164  225.642   12.042  212.880   8.3596 12.76154 14.65899 
1 1 1  -33   14   11 o   74.170   12.803   17.077   5.6721   5.6574   9.0032   24.592   7.3039   54.229   21.199   94.112   14.362 -39.88301 25.60594 
1 1 1  -33   14   12 o  110.605   10.037   33.296   5.9205   38.075   9.3376   30.084   7.6562  116.990   14.771  104.220   13.595 12.77070 20.07463 
1 1 1  -33   14   13 o   77.108   13.928   17.663   5.7113   16.558   9.3891   18.312   7.1956   74.924   21.846   79.293   17.282 -4.368683 27.85523 
1 1 1  -33   14   14 o  109.267   10.412   33.943   5.9519   29.865   9.3234   36.748   7.7326  103.142   16.728  115.393   12.401 -12.25086 20.82352 
1 1 1  -33   14   15 o  192.301   6.8806   98.607   6.9983  114.058   11.389   89.235   8.8705  203.923   10.336  180.680   9.0856 23.24376 13.76121 
1 1 1  -33   14   16 o  171.061   7.5526   81.131   6.7966   76.777   10.764   84.018   8.7647  166.861   11.938  175.260   9.2548 -8.398895 15.10522 
1 1 1  -33   14   17 o   88.437   20.012   23.172   9.3403   23.172   9.3403   0.0000   0.0000   88.437   20.012  ?   ?       ?      ? 
1 1 1  -33   14   18 o  117.461   28.035   43.131   17.547   43.131   17.547   0.0000   0.0000  117.461   28.035  ?   ?       ?      ? 
1 1 1  -33   14   19 o   68.197   18.135   10.060   10.194  -7.9955   17.503   19.329   12.541   56.080   25.672   80.315   25.621 -24.23485 36.26937 
1 1 1  -33   14   20 o  102.440   17.512   35.201   9.6006   20.806   17.570   41.329   11.463   84.284   30.286  120.596   17.591 -36.31152 35.02438 
1 1 1  -33   14   21 o  143.387   8.3819   57.660   6.2976   53.637   10.017   60.290   8.0983  138.728   13.362  148.047   10.123 -9.318802 16.76373 
1 1 1  -33   14   22 o   86.584   12.307   25.090   5.7122   8.5503   8.9326   36.534   7.4300   58.383   21.503  114.784   11.979 -56.40073 24.61488 
1 1 1  -33   14   23 o  140.419   8.6254   56.406   6.2930   47.299   9.8561   62.673   8.1767  129.943   14.037  150.895   10.028 -20.95169 17.25076 
1 1 1  -33   14   24 o   91.740   12.717   24.443   5.9909   27.200   9.4744   22.606   7.7332   95.668   18.997   87.812   16.911 7.855614 25.43368 
1 1 1  -33   14   25 o   66.435   14.620   13.291   5.8950   9.8191   9.3800   15.557   7.5787   60.906   22.095   71.963   19.152 -11.05745 29.24034 
1 1 1  -33   14   26 o   44.222   13.443   0.2697   5.7151   2.5197   8.9320  -1.2901   7.4368   48.524   20.310   39.921   17.618 8.602242 26.88634 
1 1 1  -33   14   27 o   61.893   14.786   11.011   5.8170   10.355   9.2476   11.441   7.4828   61.444   21.984   62.341   19.781 -0.8971748 29.57299 
1 1 1  -33   14   28 o   88.311   12.812   24.604   5.8969   15.670   9.1270   31.006   7.7260   71.665   21.702  104.957   13.622 -33.29280 25.62308 
1 1 1  -33   14   29 o   90.366   12.620   24.136   5.9141   23.786   9.3784   24.366   7.6203   88.245   20.115   92.488   15.248 -4.243027 25.24088 
1 1 1  -33   14   30 o   90.259   13.146   25.943   6.0865   18.194   9.8497   30.729   7.7415   76.287   22.414  104.231   13.745 -27.94401 26.29230 
1 1 1  -33   14   31 o   72.440   17.866   11.562   6.9767   27.275   16.662   8.2218   7.6827   89.565   29.605   55.314   20.007 34.25122 35.73171 
1 1 1  -33   14   32 o   53.085   16.112 -10.2317   7.1119   19.257   16.412 -17.0495   7.8914   78.114   29.074   28.056   13.897 50.05794 32.22471 
1 1 1  -33   14   33 o  158.739   9.7080   70.704   8.2433   64.488   10.768   79.505   12.813  150.737   13.219  166.741   14.221 -16.00354 19.41595 
1 1 1  -33   14   34 o  106.766   13.727   32.989   7.5764   23.045   9.7070   48.491   12.119   85.298   21.161  128.233   17.490 -42.93492 27.45380 
1 1 1  -33   14   35 o  117.214   10.803   40.346   6.6791   35.641   10.200   43.877   8.8369  110.150   17.137  124.279   13.159 -14.12962 21.60652 
1 1 1  -33   14   36 o  106.079   11.888   32.520   6.7292   36.764   10.573   29.631   8.7246  111.401   17.563  100.757   16.024 10.64410 23.77501 
1 1 1  -33   14   37 o   56.476   14.103   4.4653   6.2425   19.128   9.9335  -5.1051   8.0252   76.375   22.528   36.577   16.972 39.79805 28.20577 
1 1 1  -33   14   38 o   64.326   15.721   12.306   6.6775   17.096   10.258   8.7845   8.7962   72.163   23.189   56.488   21.234 15.67548 31.44164 
1 1 1  -33   14   39 o   90.144   14.107   24.674   6.6089   34.364   10.739   18.767   8.3848  104.077   19.819   76.210   20.080 27.86653 28.21308 
1 1 1  -33   14   40 o  114.954   11.185   38.113   6.8082   49.315   10.981   31.120   8.6770  128.093   15.865  101.815   15.771 26.27756 22.37061 
1 1 1  -33   14   41 o  110.142   13.490   41.880   7.2795   21.944   10.998   57.423   9.7109   79.327   23.778  140.956   12.749 -61.62897 26.98068 
1 1 1  -33   14   42 o  153.253   14.066   75.087   10.844   53.851   15.405   95.946   15.267  126.907   23.323  179.600   15.731 -52.69302 28.13257 
1 1 1  -33   14   43 o   62.551   17.190   7.9316   9.8759  -9.6464   14.407   23.514   13.564   45.549   21.629   79.553   26.723 -34.00353 34.37901 
1 1 1  -33   14   44 o   56.518   15.876  -1.5576   7.5155   29.167   14.646 -12.5403   8.7563   81.551   27.766   31.484   15.404 50.06712 31.75244 
1 1 1  -33   14   45 f   65.417   19.044   12.323   11.060   31.261   18.067   0.9739   13.986   80.806   30.421   50.028   22.919 30.77841 38.08785 
1 1 1  -33   14   46 o   53.750   17.116   0.5310   10.403   15.851   16.742  -9.1036   13.277   65.046   27.546   42.453   20.325 22.59272 34.23291 
1 1 1  -33   14   47 o   45.586   14.709   0.1528   8.3664   5.8769   10.798  -8.4459   13.234   49.652   21.586   41.521   19.986 8.130619 29.41804 
1 1 1  -33   15    1 f  206.825   7.1450  113.988   7.6625  128.649   13.108  106.378   9.4442  216.308   11.215  197.342   8.8564 18.96683 14.28991 
1 1 1  -33   15    2 o   63.739   14.474   10.970   5.5425   14.246   9.0114   8.9769   7.0294   70.048   21.632   57.430   19.237 12.61734 28.94841 
1 1 1  -33   15    3 o  120.812   12.057   40.235   7.8711   0.0000   0.0000   40.235   7.8711  ?   ?   120.812   12.057      ?      ? 
1 1 1  -33   15    4 o   99.539   12.260   29.968   6.0655   22.335   9.6779   34.906   7.7840   86.695   20.902  112.383   12.818 -25.68867 24.51949 
1 1 1  -33   15    5 o  218.396   6.7360  128.939   7.7673  137.713   12.555  123.499   9.8862  224.091   10.369  212.702   8.6014 11.38895 13.47191 
1 1 1  -33   15    6 o  274.791   8.2358  205.951   12.229   0.0000   0.0000  205.951   12.229  ?   ?   274.791   8.2358      ?      ? 
1 1 1  -33   15    7 o  117.332   10.685   38.964   6.6285   30.276   9.4473   47.387   9.3026  103.811   16.841  130.854   13.156 -27.04379 21.37090 
1 1 1  -33   15    8 o   62.041   14.970   9.9068   6.2066   14.549   9.0094   5.7140   8.5626   70.645   21.598   53.438   20.733 17.20670 29.93924 
1 1 1  -33   15    9 o  161.039   8.6556   70.388   7.0968   75.090   12.472   68.137   8.6301  164.420   14.038  157.658   10.130 6.762787 17.31119 
1 1 1  -33   15   10 o  246.681   6.4860  167.422   8.5220  159.811   13.037  173.101   11.261  241.480   9.9913  251.881   8.2733 -10.40105 12.97201 
1 1 1  -33   15   11 o   61.462   13.598   10.567   5.7461   0.3345   9.3433   16.792   7.2871   47.295   20.318   75.629   18.077 -28.33370 27.19590 
1 1 1  -33   15   12 o   44.265   13.477  -0.1460   5.6812   1.7568   9.2246  -1.3088   7.2111   48.831   20.550   39.699   17.441 9.131287 26.95309 
1 1 1  -33   15   13 o   68.588   14.713   13.130   5.8187   16.901   9.4533   10.829   7.3830   75.429   21.900   61.747   19.654 13.68180 29.42628 
1 1 1  -33   15   14 o   63.833   14.459   9.9730   5.7804   18.110   9.4124   5.0457   7.3243   77.854   21.609   49.812   19.218 28.04122 28.91851 
1 1 1  -33   15   15 o   56.451   14.645   7.6164   5.6906   8.8980   9.3815   6.8704   7.1577   59.926   22.042   52.975   19.288 6.951550 29.29002 
1 1 1  -33   15   16 o   84.323   13.017   23.009   5.9706   10.499   9.5091   31.150   7.6712   62.820   22.312  105.825   13.415 -43.00425 26.03419 
1 1 1  -33   15   17 o  109.224   16.104   26.379   7.4025   56.149   18.579   20.761   8.0708  134.624   26.483   83.825   18.329 50.79924 32.20729 
1 1 1  -33   15   18 o   56.367   17.493   0.0459   9.9076  -3.0045   16.875   1.6507   12.239   58.297   26.082   54.436   23.317 3.861328 34.98532 
1 1 1  -33   15   19 o   68.579   18.981   10.975   9.7521   9.4752   17.574   11.642   11.722   70.485   28.896   66.673   24.620 3.812027 37.96210 
1 1 1  -33   15   20 o   43.066   13.089  -1.9464   5.4689   5.1950   9.0914  -5.9960   6.8462   53.044   21.125   33.088   15.460 19.95594 26.17788 
1 1 1  -33   15   21 o   40.856   12.541  -1.5265   5.4735  -9.5177   8.9027   3.3298   6.9401   36.054   17.086   45.658   18.363 -9.603836 25.08225 
1 1 1  -33   15   22 o   85.150   13.307   21.570   5.8444   21.971   9.3833   21.315   7.4704   85.116   20.619   85.183   16.826 -0.6733704E-01 26.61308 
1 1 1  -33   15   23 o   65.048   14.925   11.840   5.8850   15.466   9.5623   9.6295   7.4666   71.553   22.314   58.542   19.826 13.01165 29.84910 
1 1 1  -33   15   24 o   54.401   13.604   2.9345   5.8407   16.704   9.3032  -6.0240   7.5038   73.881   21.804   34.921   16.273 38.96067 27.20724 
1 1 1  -33   15   25 o  112.905   11.207   37.869   6.3698   31.588   9.9836   42.182   8.2724  102.966   18.629  122.844   12.462 -19.87782 22.41324 
1 1 1  -33   15   26 o  132.798   9.2202   49.756   6.4918   47.885   10.088   51.079   8.4812  130.137   14.346  135.458   11.587 -5.320541 18.44048 
1 1 1  -33   15   27 o   88.413   13.789   23.867   6.2992   22.911   10.044   24.487   8.0873   85.912   21.646   90.915   17.089 -5.003433 27.57866 
1 1 1  -33   15   28 o   54.955   14.891   7.1021   6.0906   7.8096   9.6501   6.6337   7.8520   57.218   22.063   52.693   20.003 4.525723 29.78103 
1 1 1  -33   15   29 o  117.528   10.292   39.513   6.3349   38.773   10.224   39.974   8.0710  115.835   16.333  119.222   12.528 -3.387367 20.58475 
1 1 1  -33   15   30 o   65.553   13.083   12.819   5.9617  -0.8056   9.2509   22.497   7.7967   44.543   19.654   86.562   17.274 -42.01896 26.16606 
1 1 1  -33   15   31 o   53.316   14.821   6.3949   6.2528   3.6782   10.153   8.0549   7.9366   51.604   21.630   55.027   20.269 -3.423683 29.64232 
1 1 1  -33   15   32 o   45.427   14.119  -0.4251   6.7802 -22.3784   15.414   4.8412   7.5498   42.276   20.631   48.577   19.281 -6.301834 28.23799 
1 1 1  -33   15   33 o   59.742   17.014   3.0354   7.3245   20.146   15.839  -1.6188   8.2608   78.388   28.670   41.096   18.328 37.29245 34.02745 
1 1 1  -33   15   34 o   61.153   16.775   9.6038   7.7688   8.7148   9.9358   11.002   12.462   58.221   22.405   64.084   24.971 -5.863293 33.54908 
1 1 1  -33   15   35 o   80.889   15.071   21.632   6.7959   16.589   10.477   25.296   8.9294   71.530   23.468   90.247   18.916 -18.71625 30.14192 
1 1 1  -33   15   36 f   56.408   15.212   8.1949   6.3126   10.791   10.142   6.5531   8.0655   61.023   22.827   51.793   20.115 9.229794 30.42491 
1 1 1  -33   15   37 o   63.496   15.340   12.634   6.7273   5.9669   10.643   17.070   8.6815   54.346   22.407   72.646   20.957 -18.29956 30.68017 
1 1 1  -33   15   38 o   67.250   15.793   14.711   6.6278   17.288   10.331   12.909   8.6402   71.283   23.300   63.217   21.327 8.065582 31.58697 
1 1 1  -33   15   39 o   96.972   13.696   28.201   7.0351   47.257   11.324   16.223   8.9779  124.579   16.821   69.365   21.620 55.21413 27.39290 
1 1 1  -33   15   40 o   67.522   17.167   14.896   8.7447   21.922   11.345   4.6126   13.726   79.179   24.242   55.865   24.313 23.31305 34.33364 
1 1 1  -33   15   41 o  235.980   14.134  142.398   13.231   49.617   15.833  357.207   24.091  119.668   25.277  352.293   12.655 -232.6249 28.26769 
1 1 1  -33   15   42 f   47.700   15.492  -2.7111   9.2178  -7.3311   13.694   1.1164   12.464   45.410   21.420   49.991   22.388 -4.580925 30.98430 
1 1 1  -33   15   43 o  140.041   12.231   54.972   8.5161   90.023   16.515   42.274   9.9397  164.443   18.585  115.639   15.907 48.80369 24.46270 
1 1 1  -33   15   44 o   57.408   17.697   6.8292   8.6824   17.221   18.615   3.9400   9.8155   66.827   28.694   47.988   20.722 18.83868 35.39369 
1 1 1  -33   15   45 o  107.092   19.484   45.051   11.102   58.694   18.243   37.027   13.991  118.281   28.810   95.903   26.238 22.37810 38.96756 
1 1 1  -33   15   46 o   96.117   18.325   37.296   9.6611   29.299   12.358   49.865   15.493   83.271   25.261  108.963   26.555 -25.69272 36.65082 
1 1 1  -33   16    1 o   47.478   13.223   2.9025   5.4801  -5.0985   8.7605   8.0462   7.0241   39.719   18.175   55.237   19.211 -15.51799 26.44633 
1 1 1  -33   16    2 o  214.609   6.5740  126.617   7.5064  123.057   11.588  129.192   9.8529  211.734   10.128  217.485   8.3839 -5.751419 13.14806 
1 1 1  -33   16    3 o   43.551   13.068  -1.1140   5.3940   5.2931   8.7271  -5.0748   6.8616   52.896   20.813   34.206   15.808 18.69015 26.13614 
1 1 1  -33   16    4 o  201.874   10.282  111.908   11.216  111.908   11.216   0.0000   0.0000  201.874   10.282  ?   ?       ?      ? 
1 1 1  -33   16    5 o   55.530   14.022   7.4584   5.7514   0.1089   9.3644   11.910   7.2879   46.974   20.262   64.087   19.389 -17.11287 28.04446 
1 1 1  -33   16    6 o  258.671   10.416  183.829   14.559   0.0000   0.0000  183.829   14.559  ?   ?   258.671   10.416      ?      ? 
1 1 1  -33   16    7 f   49.517   14.546   2.5680   6.3744   3.1922   9.5683   2.0698   8.5475   51.394   21.224   47.639   19.897 3.755142 29.09208 
1 1 1  -33   16    8 o  148.438   15.678   61.847   12.575   61.847   12.575   0.0000   0.0000  148.438   15.678  ?   ?       ?      ? 
1 1 1  -33   16    9 o  113.262   11.503   34.939   6.6276   39.730   11.809   32.737   8.0077  118.061   18.511  108.463   13.663 9.598198 23.00687 
1 1 1  -33   16   10 o   48.416   13.949   3.3155   5.7264   0.7325   9.2625   4.9135   7.2856   47.425   20.298   49.407   19.137 -1.982410 27.89716 
1 1 1  -33   16   11 o   62.719   15.043   10.960   6.0167   10.115   9.6159   11.503   7.7130   62.199   22.400   63.239   20.085 -1.039925 30.08566 
1 1 1  -33   16   12 f  231.320   8.4688  146.352   10.586   0.0000   0.0000  146.352   10.586  ?   ?   231.320   8.4688      ?      ? 
1 1 1  -33   16   13 o   92.169   13.265   24.404   6.2504   28.725   10.158   21.771   7.9292   98.283   19.811   86.055   17.644 12.22795 26.52912 
1 1 1  -33   16   14 o   53.105   14.079   6.2308   5.8173  -1.3200   9.8884   10.227   7.1940   46.279   20.375   59.932   19.436 -13.65357 28.15803 
1 1 1  -33   16   15 o   63.156   14.600   11.602   5.9670   6.1865   9.7024   14.897   7.5672   55.644   21.929   70.668   19.281 -15.02488 29.19991 
1 1 1  -33   16   16 o   56.889   16.531   5.9162   7.2232  -7.4842   18.148   8.4386   7.8737   56.980   26.105   56.799   20.289 0.1808472 33.06197 
1 1 1  -33   16   17 o  177.358   12.308   85.369   11.417  108.491   19.359   73.041   14.136  194.263   18.442  160.453   16.304 33.80981 24.61606 
1 1 1  -33   16   18 o   76.554   19.092   17.560   9.8959   8.9392   18.282   21.133   11.769   70.472   29.238   82.636   24.559 -12.16384 38.18370 
1 1 1  -33   16   19 o   59.934   13.366   9.8574   5.8591  -3.2157   9.7329   17.287   7.3375   43.736   19.670   76.131   18.101 -32.39454 26.73127 
1 1 1  -33   16   20 o   49.052   14.068   3.7681   5.6779   4.7212   9.1809   3.1777   7.2253   52.221   21.078   45.883   18.636 6.338085 28.13565 
1 1 1  -33   16   21 o  162.144   8.1318   74.001   6.8696   69.300   11.099   76.920   8.7460  157.259   13.062  167.030   9.6901 -9.770401 16.26360 
1 1 1  -33   16   22 o   79.968   13.773   18.256   5.8805   26.510   9.4986   13.126   7.4880   93.799   19.381   66.137   19.574 27.66132 27.54585 
1 1 1  -33   16   23 o   56.887   14.475   8.6597   5.7906   4.3469   9.6676   11.073   7.2312   52.390   21.450   61.383   19.442 -8.992504 28.94958 
1 1 1  -33   16   24 f   43.603   13.428  -0.2092   5.7344   0.9953   9.4470  -0.9120   7.2160   47.493   20.418   39.714   17.447 7.778801 26.85659 
1 1 1  -33   16   25 o  187.078   7.3510   96.206   7.2653  100.846   11.672   93.270   9.2831  190.275   11.352  183.881   9.3426 6.394562 14.70196 
1 1 1  -33   16   26 o  129.573   12.117   47.040   8.4843   0.0000   0.0000   47.040   8.4843  ?   ?   129.573   12.117      ?      ? 
1 1 1  -33   16   27 o   94.999   12.975   27.167   6.3216   25.907   10.198   27.954   8.0565   91.196   21.111   98.802   15.090 -7.606827 25.94930 
1 1 1  -33   16   28 o  203.674   7.1592  114.189   7.7055  120.155   12.378  110.415   9.8459  207.452   11.042  199.896   9.1151 7.555984 14.31833 
1 1 1  -33   16   29 o   79.714   14.682   19.415   6.2441   22.699   10.180   17.435   7.9060   84.406   22.070   75.021   19.369 9.384697 29.36388 
1 1 1  -33   16   30 o  117.666   10.738   40.426   6.5103   38.228   10.766   41.693   8.1743  113.879   17.495  121.453   12.455 -7.574547 21.47586 
1 1 1  -33   16   31 o   71.748   14.934   16.548   6.2600   12.959   9.9515   18.898   8.0528   65.460   22.861   78.035   19.223 -12.57529 29.86900 
1 1 1  -33   16   32 o   44.626   13.657  -0.2072   6.3550  -7.1327   9.9403   4.5802   8.2647   39.865   18.628   49.387   19.976 -9.522507 27.31383 
1 1 1  -33   16   33 o   50.208   15.824   1.2452   7.4104  -5.5901   17.124   2.8203   8.2200   53.975   24.955   46.441   19.464 7.534065 31.64759 
1 1 1  -33   16   34 o   40.508   13.598  -7.9837   7.4749 -32.9505   17.280  -2.2367   8.2907   40.894   20.309   40.123   18.089 0.7711563 27.19698 
1 1 1  -33   16   35 o   74.916   17.072   18.829   7.8888   20.240   10.538   17.029   11.899   77.985   23.252   71.847   25.003 6.137375 34.14450 
1 1 1  -33   16   36 o   41.784   13.426  -3.1682   6.7346  -7.8688   10.194   0.4725   8.9711   39.213   18.492   44.354   19.470 -5.141460 26.85212 
1 1 1  -33   16   37 o   97.427   14.262   30.400   7.1545   34.349   11.329   27.781   9.2273  101.783   21.283   93.071   18.990 8.712051 28.52335 
1 1 1  -33   16   38 o  100.065   14.108   34.243   7.2537   22.845   11.336   42.145   9.4391   80.620   24.135  119.510   14.616 -38.88978 28.21577 
1 1 1  -33   16   39 o   88.672   18.183   28.323   10.360   12.957   14.894   42.725   14.419   65.969   26.770  111.375   24.614 -45.40614 36.36617 
1 1 1  -33   16   40 o   70.885   17.753   10.397   10.430   35.248   15.714  -9.1734   13.945   96.475   28.301   45.295   21.442 51.17955 35.50615 
1 1 1  -33   16   41 o   77.440   19.443   24.783   10.215   27.545   14.891   22.329   14.039   80.833   27.980   74.047   27.005 6.786171 38.88640 
1 1 1  -33   16   42 o   52.175   15.152   7.2195   7.3188  -0.2061   11.103   12.926   9.7327   44.731   20.466   59.619   22.350 -14.88813 30.30468 
1 1 1  -33   16   43 o   60.321   18.210   5.1488   8.5254   28.401   19.342  -0.4576   9.4978   77.856   30.874   42.787   19.319 35.06968 36.42004 
1 1 1  -33   16   44 o   62.728   18.793   13.614   10.631   24.595   17.853   7.5811   13.232   71.377   29.177   54.080   23.695 17.29768 37.58634 
1 1 1  -33   17    1 o   54.063   12.756   0.0991   5.6069   18.629   9.1357 -11.0984   7.1018   78.488   21.090   29.637   14.358 48.85056 25.51289 
1 1 1  -33   17    2 o   71.359   14.309   14.258   5.7848   20.790   9.2629   10.081   7.4068   82.974   20.721   59.744   19.738 23.22936 28.61790 
1 1 1  -33   17    3 o  122.864   9.6557   42.715   6.1928   39.870   9.9441   44.518   7.9151  118.901   15.477  126.826   11.549 -7.925018 19.31142 
1 1 1  -33   17    4 o   84.816   13.574   21.169   6.0050   23.386   9.3836   19.631   7.8147   88.269   20.121   81.363   18.227 6.906761 27.14881 
1 1 1  -33   17    5 o  173.231   11.920   83.185   11.158   83.185   11.158   0.0000   0.0000  173.231   11.920  ?   ?       ?      ? 
1 1 1  -33   17    6 o  108.646   11.878   34.007   6.7655   29.405   9.5015   38.739   9.6357  100.009   18.254  117.282   15.204 -17.27264 23.75699 
1 1 1  -33   17    7 o   64.928   22.291   11.852   9.4420   11.852   9.4420   0.0000   0.0000   64.928   22.291  ?   ?       ?      ? 
1 1 1  -33   17    8 o   81.546   15.170   19.640   6.5017   21.935   11.240   18.486   7.9706   84.415   23.679   78.678   18.969 5.737679 30.34028 
1 1 1  -33   17    9 o  182.909   9.7470   91.984   9.6337   0.0000   0.0000   91.984   9.6337  ?   ?   182.909   9.7470      ?      ? 
1 1 1  -33   17   10 o  144.601   8.9072   58.756   6.7931   55.134   10.643   61.246   8.8243  140.299   14.038  148.902   10.967 -8.602798 17.81446 
1 1 1  -33   17   11 o  130.730   9.5331   47.551   6.6570   49.052   10.280   46.467   8.7362  132.198   14.391  129.261   12.507 2.937073 19.06629 
1 1 1  -33   17   12 o   73.841   15.064   16.387   6.2546   16.447   9.9854   16.349   8.0237   73.887   22.763   73.794   19.737 0.9320068E-01 30.12837 
1 1 1  -33   17   13 o  111.688   10.746   34.554   6.2721   37.761   10.451   32.748   7.8412  115.137   16.798  108.240   13.406 6.897293 21.49153 
1 1 1  -33   17   14 o   53.711   14.115   6.2995   5.9882  -2.2307   9.8433   11.312   7.5451   45.041   20.053   62.382   19.870 -17.34080 28.23004 
1 1 1  -33   17   15 o   79.403   19.752   13.394   10.210   34.167   19.057   5.0315   12.092  101.108   31.496   57.699   23.845 43.40936 39.50468 
1 1 1  -33   17   16 o   74.919   19.286   11.098   10.215   29.977   17.878   1.9459   12.447   95.192   30.615   54.645   23.463 40.54666 38.57163 
1 1 1  -33   17   17 o   75.792   17.323   16.458   8.0059   12.049   10.168   23.649   12.986   65.339   23.087   86.246   25.834 -20.90655 34.64685 
1 1 1  -33   17   18 o  140.193   9.3448   57.792   6.7054   43.309   10.368   68.203   8.7912  123.355   15.555  157.031   10.360 -33.67638 18.68951 
1 1 1  -33   17   19 o   80.785   12.032   14.695   6.0241   40.441   10.116   0.5503   7.4986  119.110   15.718   42.459   18.221 76.65008 24.06325 
1 1 1  -33   17   20 o  173.497   7.9893   83.654   7.3002   83.692   11.696   83.629   9.3437  172.981   12.513  174.012   9.9369 -1.031250 15.97861 
1 1 1  -33   17   21 o   69.433   15.186   14.643   6.1995   13.941   10.027   15.078   7.8876   68.425   22.976   70.440   19.864 -2.014061 30.37214 
1 1 1  -33   17   22 o   65.973   15.179   13.181   6.2199   10.375   10.196   14.845   7.8499   62.143   22.958   69.803   19.863 -7.659763 30.35777 
1 1 1  -33   17   23 o  178.303   7.9348   87.826   7.4505   92.042   12.073   85.232   9.4686  181.165   12.332  175.442   9.9877 5.722626 15.86958 
1 1 1  -33   17   24 o  167.087   8.2535   78.451   7.2894   76.251   11.466   79.944   9.4436  164.479   12.900  169.694   10.299 -5.214569 16.50708 
1 1 1  -33   17   25 o  153.470   8.5675   64.470   6.9569   74.388   11.302   58.419   8.8275  162.352   12.882  144.588   11.298 17.76427 17.13507 
1 1 1  -33   17   26 o   48.430   14.254   3.1373   6.0481   4.1983   9.6474   2.4503   7.7630   51.494   21.292   45.366   18.956 6.127464 28.50761 
1 1 1  -33   17   27 o   51.040   14.544   5.1004   6.1659   1.9407   10.161   6.9423   7.7577   49.406   21.206   52.675   19.910 -3.269093 29.08762 
1 1 1  -33   17   28 o   54.735   13.319   6.8425   5.9511  -7.1307   9.6988   15.280   7.5366   39.307   18.378   70.163   19.282 -30.85553 26.63751 
1 1 1  -33   17   29 o   50.450   14.174   4.4226   6.2475  -3.7311   10.082   9.5053   7.9600   43.185   19.659   57.715   20.423 -14.53016 28.34724 
1 1 1  -33   17   30 o   81.249   14.132   21.687   6.6613   11.432   10.394   28.834   8.6774   63.036   23.199   99.461   16.145 -36.42473 28.26449 
1 1 1  -33   17   31 o   38.962   12.823  -6.0348   6.5444  -9.3699   10.238  -3.7306   8.5099   38.668   18.324   39.255   17.944 -0.5869827 25.64681 
1 1 1  -33   17   32 o  109.017   11.967   34.576   6.9309   39.438   11.083   31.455   8.8817  114.590   17.899  103.444   15.889 11.14630 23.93443 
1 1 1  -33   17   33 o   56.761   14.915   5.6287   6.5238   17.462   10.600  -1.5867   8.2771   72.745   23.592   40.778   18.254 31.96686 29.82942 
1 1 1  -33   17   34 o   55.517   16.672   5.9289   7.6182   2.1115   17.195   6.8613   8.4978   58.478   26.234   52.556   20.581 5.921879 33.34413 
1 1 1  -33   17   35 o   37.364   12.618  -9.3504   6.8429  -6.7841   11.071 -10.9370   8.7047   41.499   19.476   33.229   16.048 8.269802 25.23638 
1 1 1  -33   17   36 o   82.081   14.163   21.581   8.8440   43.480   11.798  -6.5113   13.362  118.288   18.458   45.874   21.487 72.41412 28.32625 
1 1 1  -33   17   37 o   52.335   16.328   1.7944   8.9020  -0.7953   11.623   5.4685   13.845   47.747   21.482   56.923   24.595 -9.175594 32.65574 
1 1 1  -33   17   38 o   80.433   18.106   22.655   9.7673   10.563   14.021   34.054   13.614   62.656   25.763   98.209   25.447 -35.55218 36.21119 
1 1 1  -33   17   39 o   92.654   18.504   32.774   9.7927   28.378   15.063   35.991   12.888   84.560   28.159  100.749   24.013 -16.18903 37.00722 
1 1 1  -33   17   40 o   59.957   17.165   11.185   8.0655   20.788   14.619   6.9819   9.6705   69.155   27.018   50.758   21.179 18.39641 34.33004 
1 1 1  -33   17   41 o   67.337   16.279   17.019   7.2132   14.217   11.622   18.774   9.1995   62.651   24.197   72.024   21.783 -9.373108 32.55772 
1 1 1  -33   17   42 o   75.539   19.145   19.540   8.4331   35.495   18.584   15.403   9.4635   85.927   31.112   65.151   22.319 20.77599 38.28899 
1 1 1  -33   17   43 o   66.309   19.827   18.993   11.764   29.257   19.761   13.358   14.641   73.118   30.372   59.499   25.495 13.61932 39.65410 
1 1 1  -33   18    1 o   64.233   12.973   7.7629   5.7661   24.664   9.2859  -2.8431   7.3560   90.577   19.546   37.888   17.064 52.68874 25.94658 
1 1 1  -33   18    2 o   96.913   12.448   29.116   6.0974   18.679   9.1864   37.335   8.1521   78.259   21.199  115.566   13.054 -37.30718 24.89556 
1 1 1  -33   18    3 o  119.763   9.8915   40.817   6.2409   37.525   9.7339   43.116   8.1324  115.030   15.660  124.497   12.089 -9.467545 19.78294 
1 1 1  -33   18    4 o   55.355   14.488   7.2013   6.0666   1.4294   9.4488   11.249   7.9130   48.321   20.587   62.389   20.392 -14.06848 28.97646 
1 1 1  -33   18    5 f   58.379   13.519   4.1923   6.4806   20.175   9.3559 -10.5496   8.9854   81.323   21.107   35.434   16.898 45.88937 27.03741 
1 1 1  -33   18    6 o  146.685   8.8887   60.346   6.9755   57.126   10.452   62.933   9.3668  142.766   13.548  150.604   11.510 -7.837677 17.77731 
1 1 1  -33   18    7 o   77.828   15.023   19.536   6.5961   12.532   11.409   23.053   8.0843   67.361   24.378   88.295   17.562 -20.93336 30.04543 
1 1 1  -33   18    8 o   74.093   14.431   17.174   6.0868   12.170   9.6760   20.451   7.8300   65.329   22.558   82.857   18.003 -17.52876 28.86109 
1 1 1  -33   18    9 o   77.498   14.928   18.535   6.3824   16.730   10.132   19.722   8.2178   74.075   22.947   80.920   19.101 -6.845222 29.85663 
1 1 1  -33   18   10 o   54.355   14.412   6.6799   6.1010  -0.1308   9.8039   10.984   7.7941   47.093   20.521   61.617   20.243 -14.52435 28.82462 
1 1 1  -33   18   11 o  169.594   10.229   79.471   9.3745   0.0000   0.0000   79.471   9.3745  ?   ?   169.594   10.229      ?      ? 
1 1 1  -33   18   12 o   71.611   14.124   16.181   6.1819   6.9648   9.7369   22.405   8.0015   56.413   22.048   86.810   17.659 -30.39710 28.24749 
1 1 1  -33   18   13 o   81.507   14.570   19.345   6.2909   25.395   10.351   15.801   7.9218   90.844   21.433   72.170   19.742 18.67339 29.13970 
1 1 1  -33   18   14 o   60.023   18.365   2.7755   10.882  -4.2860   18.393   6.5788   13.498   58.778   26.678   61.268   25.245 -2.490433 36.72921 
1 1 1  -33   18   15 o   63.238   18.660   6.6846   10.536  -2.8626   19.213   10.791   12.600   60.957   27.505   65.520   25.226 -4.563255 37.32084 
1 1 1  -33   18   16 o   45.499   14.747  -7.7440   7.8435 -12.6800   9.7337   1.3959   13.245   35.791   17.206   55.207   23.955 -19.41601 29.49371 
1 1 1  -33   18   17 o   40.656   13.053  -3.6014   6.1464  -4.4472   9.6357  -3.0211   7.9810   42.042   19.170   39.271   17.723 2.771027 26.10682 
1 1 1  -33   18   18 o   56.252   13.257   6.6292   6.0963  -8.7090   9.6772   16.721   7.8497   38.425   18.089   74.080   19.385 -35.65542 26.51394 
1 1 1  -33   18   19 o   52.776   14.379   6.0562   6.0507   0.3526   9.7620   9.6145   7.7105   47.235   20.530   58.316   20.137 -11.08063 28.75741 
1 1 1  -33   18   20 f   53.872   14.618   6.7416   6.1089   2.2997   9.9185   9.4565   7.7542   49.805   21.153   57.939   20.183 -8.134300 29.23683 
1 1 1  -33   18   21 o   44.744   13.723  -0.4295   6.3845  -6.5905   9.9039   3.9515   8.3515   40.521   18.819   48.967   19.979 -8.446098 27.44693 
1 1 1  -33   18   22 o   97.615   12.667   27.920   6.5120   32.268   9.9237   24.633   8.6299  105.046   17.483   90.183   18.334 14.86352 25.33308 
1 1 1  -33   18   23 o   46.448   14.050   1.5177   6.2725  -0.6577   9.6767   3.0941   8.2375   45.586   20.108   47.310   19.627 -1.724426 28.09938 
1 1 1  -33   18   24 o   99.878   12.724   29.751   6.6182   30.359   10.265   29.319   8.6581   99.207   19.841  100.548   15.935 -1.341248 25.44814 
1 1 1  -33   18   25 o   49.175   14.526   3.4315   6.3919   0.8434   10.446   4.9804   8.0814   48.614   21.183   49.735   19.881 -1.121571 29.05106 
1 1 1  -33   18   26 o   69.445   15.598   14.655   6.4474   17.963   10.420   12.602   8.2072   74.756   23.290   64.134   20.755 10.62209 31.19602 
1 1 1  -33   18   27 o   42.968   13.301  -1.2212   6.1982  -8.9473   9.9096   3.7439   7.9440   38.405   18.148   47.531   19.450 -9.126598 26.60170 
1 1 1  -33   18   28 o   54.728   14.107   6.5845   6.4240  -6.1151   10.438   14.327   8.1503   41.778   19.374   67.678   20.511 -25.90020 28.21455 
1 1 1  -33   18   29 o   43.694   19.825  -2.9652   10.144  -2.9652   10.144   0.0000   0.0000   43.694   19.825  ?   ?       ?      ? 
1 1 1  -33   18   30 o   57.977   15.427   8.0605   6.5660   14.694   10.625   3.9614   8.3517   67.835   23.626   48.119   19.846 19.71563 30.85495 
1 1 1  -33   18   31 o   75.561   15.807   18.745   6.8563   18.580   10.677   18.860   8.9443   74.759   23.618   76.362   21.014 -1.603302 31.61374 
1 1 1  -33   18   32 o   44.268   14.026  -1.2143   6.9369  -4.7963   10.982   1.1635   8.9480   43.355   20.024   45.180   19.646 -1.824142 28.05215 
1 1 1  -33   18   33 o   66.435   16.317   14.882   7.1665   13.197   11.359   15.997   9.2369   63.965   24.113   68.905   21.989 -4.939209 32.63356 
1 1 1  -33   18   34 o   37.140   12.530  -8.9341   6.8825 -12.0804   11.129  -6.9855   8.7582   38.036   18.313   36.243   17.107 1.792561 25.06022 
1 1 1  -33   18   35 o   46.086   15.638 -11.8333   10.612 -14.5833   18.477 -10.4797   12.963   49.346   23.718   42.826   20.388 6.520199 31.27665 
1 1 1  -33   18   36 o   92.547   20.016   30.784   10.959   42.207   17.272   23.086   14.179  105.536   29.265   79.558   27.316 25.97803 40.03293 
1 1 1  -33   18   37 o   40.553   19.730 -16.6644   13.793 -16.6644   13.793   0.0000   0.0000   40.553   19.730  ?   ?       ?      ? 
1 1 1  -33   18   38 o   53.550   16.902   5.1704   10.079   0.7507   14.612   9.1824   13.922   50.272   23.175   56.829   24.608 -6.556374 33.80347 
1 1 1  -33   18   39 f   48.015   14.700   4.2735   7.0916  -0.1028   11.690   6.8220   8.9206   45.913   21.004   50.116   20.571 -4.202343 29.39963 
1 1 1  -33   18   40 o   72.288   16.382   17.782   7.2242   27.504   11.887   12.088   9.0969   85.057   24.518   59.519   21.734 25.53808 32.76406 
1 1 1  -33   18   41 o   42.321   14.778 -14.5968   8.4270   4.7905   18.399 -19.7435   9.4797   55.263   25.661   29.379   14.663 25.88408 29.55511 
1 1 1  -33   19    1 o  159.151   8.0406   68.853   6.8241   80.500   10.770   61.039   8.8210  170.003   11.723  148.298   11.008 21.70488 16.08127 
1 1 1  -33   19    2 o   98.701   12.230   29.136   6.1889   24.860   9.5068   32.281   8.1531   90.459   19.982  106.942   14.109 -16.48315 24.46085 
1 1 1  -33   19    3 o   43.745   13.343  -0.5196   5.8076   3.6179   8.7321  -3.8013   7.7769   49.586   20.353   37.905   17.260 11.68044 26.68590 
1 1 1  -33   19    4 o  100.812   13.184   30.128   6.9270   21.515   9.5410   39.730   10.073   83.616   21.112  118.008   15.797 -34.39205 26.36788 
1 1 1  -33   19    5 o  106.747   12.096   32.780   6.9743   31.823   9.6959   33.806   10.039  105.151   17.064  108.344   17.148 -3.193687 24.19184 
1 1 1  -33   19    6 o  172.068   8.3505   80.951   7.5440   89.009   12.444   76.268   9.4861  178.195   12.923  165.941   10.579 12.25458 16.70092 
1 1 1  -33   19    7 o  108.003   13.272   34.890   7.0341   33.153   12.192   35.756   8.6119  103.476   22.450  112.529   14.163 -9.052116 26.54437 
1 1 1  -33   19    8 o  181.780   7.7542   89.489   7.4868  103.787   12.008   80.398   9.5758  193.127   11.507  170.433   10.398 22.69400 15.50847 
1 1 1  -33   19    9 o   67.867   15.509   13.489   6.3845   15.822   10.115   11.944   8.2313   72.027   23.014   63.706   20.797 8.320698 31.01832 
1 1 1  -33   19   10 o  117.155   10.744   38.838   6.7264   40.428   10.386   37.688   8.8280  118.818   16.176  115.491   14.146 3.326622 21.48876 
1 1 1  -33   19   11 o   79.712   14.837   19.302   6.4017   21.492   10.002   17.782   8.3315   83.146   21.943   76.277   19.977 6.869293 29.67385 
1 1 1  -33   19   12 o  107.211   17.933   38.405   8.3331   31.892   20.584   39.682   9.1132   96.028   32.916  118.395   14.245 -22.36617 35.86622 
1 1 1  -33   19   13 o   71.172   19.856   0.7807   11.762   33.266   21.284 -13.5000   14.112   97.338   33.465   45.006   21.381 52.33194 39.71245 
1 1 1  -33   19   14 o  151.053   16.165   70.482   11.951   68.446   20.638   71.509   14.658  145.083   27.327  157.023   17.275 -11.94083 32.33004 
1 1 1  -33   19   15 o   49.231   14.551   2.0145   6.5606   6.7968   9.8753  -1.7637   8.7776   55.927   22.097   42.536   18.937 13.39103 29.10144 
1 1 1  -33   19   16 o   62.534   15.489   11.282   6.4576   10.860   9.5055   11.644   8.8001   62.061   22.279   63.007   21.522 -0.9461212 30.97707 
1 1 1  -33   19   17 o  140.902   9.3369   55.147   7.0133   61.921   11.061   50.593   9.0695  147.700   13.859  134.105   12.516 13.59496 18.67387 
1 1 1  -33   19   18 o  155.967   8.8198   65.206   7.2516   85.955   11.914   52.995   9.1396  174.658   12.623  137.276   12.321 37.38164 17.63958 
1 1 1  -33   19   19 o  181.405   8.1470   93.809   7.7821   83.199   12.005  101.500   10.220  171.553   12.950  191.257   9.8893 -19.70374 16.29399 
1 1 1  -33   19   20 o   43.536   13.527  -6.0856   6.4454   7.0770   10.397 -14.3009   8.2141   56.613   22.577   30.459   14.906 26.15429 27.05392 
1 1 1  -33   19   21 o   54.806   14.849   7.3957   6.2526   3.8156   9.9451   9.7359   8.0406   51.330   21.453   58.282   20.536 -6.952236 29.69783 
1 1 1  -33   19   22 o   48.500   14.394   3.0955   6.3014   1.1789   10.206   4.2762   8.0106   48.524   21.041   48.477   19.646 0.4690933E-01 28.78725 
1 1 1  -33   19   23 o  100.023   13.007   29.680   6.6701   34.897   10.620   26.282   8.5715  106.843   19.096   93.203   17.666 13.64069 26.01430 
1 1 1  -33   19   24 o   48.903   14.582   2.7919   6.4795   3.9813   10.198   1.9867   8.3906   51.921   21.714   45.885   19.470 6.036041 29.16458 
1 1 1  -33   19   25 o   90.336   14.206   27.611   6.9306   15.566   11.177   35.135   8.8339   70.285   24.246  110.387   14.810 -40.10147 28.41132 
1 1 1  -33   19   26 o  128.842   10.240   47.501   7.0387   50.743   10.985   45.242   9.1680  131.992   15.402  125.692   13.498 6.300217 20.47970 
1 1 1  -33   19   27 o   88.260   15.000   24.923   6.9507   25.953   11.079   24.254   8.9260   88.622   22.952   87.898   19.320 0.7238998 30.00051 
1 1 1  -33   19   28 o   56.184   15.548   7.8471   6.7238   9.2952   10.747   6.9156   8.6191   59.230   23.159   53.138   20.750 6.092064 31.09511 
1 1 1  -33   19   29 o   35.470   11.975  -9.8987   6.2722  -6.0466   9.7105 -12.6562   8.2160   39.770   18.525   31.170   15.178 8.599976 23.94928 
1 1 1  -33   19   30 o  125.734   10.964   46.727   7.2590   47.593   11.638   46.177   9.2867  125.414   17.174  126.055   13.634 -0.6408234 21.92734 
1 1 1  -33   19   31 o   47.548   14.431   2.3732   6.8824  -3.7343   10.947   6.3650   8.8501   43.600   20.085   51.496   20.727 -7.895897 28.86225 
1 1 1  -33   19   32 o   44.071   14.011  -1.5222   6.7929   2.2153   10.940  -3.8676   8.6660   49.368   21.590   38.775   17.865 10.59365 28.02296 
1 1 1  -33   19   33 o   74.835   16.154   19.551   7.6114   11.610   11.754   25.287   9.9888   62.294   24.257   87.377   21.340 -25.08379 32.30787 
1 1 1  -33   19   34 o   60.982   16.590   4.0684   9.8323 -19.5068   14.606   23.604   13.296   41.084   20.057   80.880   26.433 -39.79573 33.18071 
1 1 1  -33   19   35 o   60.417   17.969   9.3427   9.9009   9.7207   15.048   9.0541   13.148   61.521   26.087   59.313   24.717 2.208794 35.93726 
1 1 1  -33   19   36 o   69.042   26.113   19.349   13.350   0.0000   0.0000   19.349   13.350  ?   ?    69.042   26.113      ?      ? 
1 1 1  -33   19   37 o   38.545   13.067 -14.4193   7.4700   3.9335   12.156 -25.5538   9.4686   49.897   22.244   27.192   13.717 22.70464 26.13371 
1 1 1  -33   19   38 o   76.356   17.056   19.441   9.0475   5.2222   11.930   38.694   13.881   52.064   22.662  100.647   25.495 -48.58360 34.11107 
1 1 1  -33   19   39 o   65.400   16.154   13.495   7.7931   28.154   12.077   3.0347   10.201   84.025   24.856   46.775   20.639 37.24967 32.30774 
1 1 1  -33   19   40 o   46.966   15.646  -0.3356   8.8916  -0.7236   18.813  -0.2240   10.090   51.370   24.484   42.562   19.486 8.808018 31.29214 
1 1 1  -33   20    1 o  104.592   11.869   32.156   6.4919   31.050   9.7406   33.041   8.7079  101.661   18.409  107.523   14.987 -5.861893 23.73850 
1 1 1  -33   20    2 o  121.941   9.8423   41.862   6.4578   45.562   9.6949   38.911   8.6583  126.646   14.166  117.236   13.667 9.409775 19.68458 
1 1 1  -33   20    3 o   52.385   14.531   5.3657   6.2694   0.2638   9.4100   9.4381   8.4070   46.277   20.135   58.494   20.957 -12.21669 29.06279 
1 1 1  -33   20    4 f   91.289   14.600   26.067   7.2955   33.533   10.055   17.768   10.601  107.369   17.331   75.209   23.502 32.16050 29.20094 
1 1 1  -33   20    5 o  212.962   12.936  127.770   14.886  127.770   14.886   0.0000   0.0000  212.962   12.936  ?   ?       ?      ? 
1 1 1  -33   20    6 o   96.317   14.079   30.937   6.9733   18.282   11.384   38.537   8.8221   76.097   24.425  116.537   14.009 -40.44024 28.15759 
1 1 1  -33   20    7 o   89.300   14.112   24.062   6.5981   28.450   10.135   20.834   8.6923   96.308   20.124   82.292   19.790 14.01595 28.22444 
1 1 1  -33   20    8 o   52.851   15.008   4.2746   6.5304   9.8953   10.429   0.6494   8.3757   61.285   23.104   44.417   19.161 16.86825 30.01558 
1 1 1  -33   20    9 o   89.165   14.068   24.356   6.5647   25.164   9.9495   23.733   8.7361   90.005   20.864   88.325   18.876 1.680672 28.13588 
1 1 1  -33   20   10 o  108.097   11.841   35.053   6.5482   28.865   9.8039   40.037   8.7985   97.368   19.316  118.827   13.703 -21.45896 23.68241 
1 1 1  -33   20   11 f   50.511   16.870 -10.9209   11.336 -13.6487   19.946  -9.6194   13.778   54.489   25.748   46.533   21.803 7.955883 33.73933 
1 1 1  -33   20   12 f   62.965   19.674   2.7728   12.470   3.8491   21.794   2.2489   15.205   67.621   29.985   58.309   25.477 9.311756 39.34708 
1 1 1  -33   20   13 o  115.933   20.075   42.053   12.129   61.869   20.833   31.892   14.918  134.601   29.460   97.264   27.279 37.33753 40.14996 
1 1 1  -33   20   14 o   85.119   14.834   21.890   6.7823   29.458   10.609   16.658   8.8202   97.291   20.809   72.946   21.147 24.34490 29.66812 
1 1 1  -33   20   15 f   56.052   15.099   6.0730   6.6084   13.931   10.205   0.3982   8.6724   67.545   23.175   44.560   19.359 22.98425 30.19713 
1 1 1  -33   20   16 o   98.165   13.466   27.517   6.9709   47.782   11.120   14.398   8.9473  128.277   16.042   68.052   21.634 60.22546 26.93295 
1 1 1  -33   20   17 o  129.721   11.021   50.636   7.3526   39.340   11.345   58.815   9.6545  115.136   18.235  144.306   12.381 -29.16978 22.04116 
1 1 1  -33   20   18 o   48.438   13.814   2.2321   6.3080  -8.1079   9.7709   9.6213   8.2598   38.700   18.206   58.176   20.781 -19.47561 27.62752 
1 1 1  -33   20   19 o   44.841   13.976  -0.8639   6.4644   2.1442   10.292  -2.8241   8.3078   49.804   21.359   39.877   18.031 9.927242 27.95183 
1 1 1  -33   20   20 o   56.698   15.177   7.5253   6.8406   0.5287   10.255   13.133   9.1816   47.901   20.927   65.494   21.986 -17.59328 30.35321 
1 1 1  -33   20   21 o   76.627   15.101   17.389   6.7674   27.851   10.530   10.027   8.8332   93.867   21.254   59.386   21.457 34.48129 30.20172 
1 1 1  -33   20   22 o   86.834   14.993   23.579   6.9286   27.793   10.664   20.500   9.1143   93.338   21.576   80.329   20.824 13.00820 29.98626 
1 1 1  -33   20   23 o   87.780   14.649   24.440   6.7969   25.611   10.280   23.530   9.0600   89.147   21.573   86.412   19.824 2.734818 29.29809 
1 1 1  -33   20   24 o   55.960   15.167   4.2991   6.8325   17.072   11.215  -3.2392   8.6160   72.052   24.298   39.869   18.159 32.18309 30.33404 
1 1 1  -33   20   25 o   55.922   14.615   6.5142   7.0265  -7.5774   11.131   15.850   9.0598   41.782   19.583   70.062   21.699 -28.28042 29.22909 
1 1 1  -33   20   26 f  137.196   10.218   55.237   7.4581   50.311   11.215   59.144   9.9864  130.654   15.885  143.738   12.857 -13.08415 20.43624 
1 1 1  -33   20   27 o  137.043   10.302   54.128   7.5612   61.629   11.685   48.726   9.9171  144.817   14.933  129.270   14.197 15.54657 20.60437 
1 1 1  -33   20   28 o   40.621   13.168  -5.0348   6.8858 -13.6110   10.454   1.5379   9.1517   35.700   17.324   45.542   19.836 -9.841496 26.33599 
1 1 1  -33   20   29 o   45.960   14.172  -2.9029   6.9658   9.4863   10.955 -11.3119   9.0254   58.181   23.183   33.738   16.305 24.44389 28.34319 
1 1 1  -33   20   30 o   79.781   15.988   22.410   7.4601   16.172   11.629   26.771   9.7247   68.977   24.656   90.584   20.362 -21.60648 31.97695 
1 1 1  -33   20   31 o   71.092   18.172   17.241   8.8925   16.686   11.704   17.998   13.677   70.109   24.769   72.076   26.598 -1.966995 36.34496 
1 1 1  -33   20   32 o   52.050   16.630  -0.3138   9.9656   0.2401   14.346  -0.8304   13.854   52.840   23.811   51.260   23.221 1.580482 33.25980 
1 1 1  -33   20   33 o   71.781   18.395   18.870   9.7135   10.908   14.713   25.023   12.933   61.980   26.011   81.583   26.017 -19.60263 36.78992 
1 1 1  -33   20   34 o   71.134   18.866   20.994   9.7234   25.901   15.000   17.437   12.770   76.182   27.894   66.086   25.408 10.09560 37.73125 
1 1 1  -33   20   35 o   57.616   16.320   10.693   7.6344   15.421   11.982   7.4612   9.9054   63.419   24.548   51.812   21.511 11.60656 32.63966 
1 1 1  -33   20   36 o   49.846   15.134   4.2705   7.6030  -2.1078   11.897   8.6736   9.8849   45.296   20.892   54.397   21.902 -9.101467 30.26807 
1 1 1  -33   20   37 o   98.825   18.813   36.470   8.9197   48.941   19.764   33.280   9.9955   98.918   32.222   98.731   19.427 0.1870041 37.62521 
1 1 1  -33   20   38 o   87.750   16.300   30.589   7.9372   26.248   12.024   33.941   10.567   78.701   25.086   96.798   20.820 -18.09740 32.59964 
1 1 1  -33   21    1 o  124.602   9.9884   44.374   6.7224   44.963   9.6727   43.824   9.3493  125.325   14.283  123.879   13.967 1.445656 19.97683 
1 1 1  -33   21    2 o   91.557   13.271   24.963   6.4573   32.760   9.6980   18.753   8.6549  105.779   16.967   77.335   20.412 28.44389 26.54275 
1 1 1  -33   21    3 o   42.254   13.436  -3.6524   6.5083  -8.0107   8.7906   1.6347   9.6821   36.376   17.160   48.132   20.681 -11.75633 26.87282 
1 1 1  -33   21    4 o   85.640   14.719   23.015   6.7123   23.306   10.105   22.786   8.9798   85.619   21.787   85.661   19.797 -0.4179382E-01 29.43766 
1 1 1  -33   21    5 o   53.045   15.021   5.7849   6.5967   2.1926   10.598   8.0568   8.4285   50.526   21.671   55.563   20.805 -5.036835 30.04155 
1 1 1  -33   21    6 o   63.982   15.537   12.320   6.5728   9.6079   9.8979   14.460   8.7909   59.796   22.515   68.168   21.417 -8.372646 31.07460 
1 1 1  -33   21    7 o   95.953   13.471   27.493   6.6786   34.096   10.408   22.871   8.7080  105.814   18.895   86.092   19.206 19.72145 26.94278 
1 1 1  -33   21    8 o   79.196   13.939   20.691   6.8523   6.4954   10.758   30.383   8.8887   56.162   22.765  102.230   16.091 -46.06822 27.87765 
1 1 1  -33   21    9 o  124.388   18.470   58.496   9.2786   38.716   22.910   62.377   10.148  100.300   34.706  148.476   12.649 -48.17563 36.93945 
1 1 1  -33   21   10 o   60.901   19.307   0.4148   12.680   4.8896   20.886  -2.1973   15.958   66.618   29.456   55.184   24.968 11.43425 38.61403 
1 1 1  -33   21   11 o   71.675   20.799   13.459   12.471   12.466   21.636   13.953   15.262   73.193   31.167   70.156   27.550 3.036934 41.59785 
1 1 1  -33   21   12 o   68.659   16.167   14.692   7.0216   15.566   10.140   13.887   9.7321   70.261   23.090   67.057   22.635 3.203468 32.33367 
1 1 1  -33   21   13 o  119.696   11.325   41.142   7.2666   49.003   10.931   34.918   9.7273  130.052   15.554  109.339   16.464 20.71352 22.64916 
1 1 1  -33   21   14 o   66.175   15.268   13.515   6.6534   7.1522   10.167   18.281   8.7990   56.229   22.357   76.121   20.800 -19.89268 30.53614 
1 1 1  -33   21   15 o   59.515   15.790   9.5258   6.7949   10.234   10.574   9.0276   8.8683   61.351   23.231   57.679   21.391 3.672573 31.57971 
1 1 1  -33   21   16 o   84.371   15.619   22.210   7.1942   28.159   11.107   17.909   9.4428   93.793   22.250   74.949   21.924 18.84441 31.23704 
1 1 1  -33   21   17 o   52.751   15.191   5.3833   6.7999   3.9236   10.447   6.4562   8.9567   52.137   21.902   53.366   21.058 -1.228558 30.38265 
1 1 1  -33   21   18 o   67.040   16.019   13.498   6.8322   17.766   10.761   10.616   8.8432   73.874   23.751   60.207   21.502 13.66718 32.03864 
1 1 1  -33   21   19 o   85.099   14.944   21.321   7.1034   36.527   11.472   11.865   9.0465  107.760   20.448   62.439   21.797 45.32136 29.88759 
1 1 1  -33   21   20 o   76.775   16.115   19.530   7.1916   17.785   10.812   20.915   9.6310   73.390   23.829   80.161   21.702 -6.770340 32.23011 
1 1 1  -33   21   21 o  105.926   13.169   33.566   7.2984   41.773   11.283   27.661   9.5702  118.018   17.692   93.835   19.510 24.18307 26.33764 
1 1 1  -33   21   22 o   53.619   15.152   6.0125   6.9544   0.0310   10.641   10.473   9.1883   47.487   21.009   59.751   21.839 -12.26450 30.30403 
1 1 1  -33   21   23 o   71.118   15.726   16.666   6.9980   11.101   10.325   21.394   9.5173   61.366   23.018   80.870   21.433 -19.50432 31.45168 
1 1 1  -33   21   24 o   71.578   16.065   17.458   7.2478   12.118   11.028   21.518   9.6163   62.777   23.736   80.379   21.654 -17.60149 32.12921 
1 1 1  -33   21   25 f   56.562   15.409   8.6684   7.1024   1.4749   11.083   13.681   9.2517   48.752   21.512   64.373   22.067 -15.62030 30.81767 
1 1 1  -33   21   26 o  147.932   10.121   65.208   7.9344   60.095   12.120   69.043   10.496  141.382   15.864  154.481   12.574 -13.09882 20.24297 
1 1 1  -33   21   27 o   75.718   16.499   18.807   7.4266   26.219   11.741   13.864   9.5884   86.491   24.181   64.946   22.454 21.54439 32.99813 
1 1 1  -33   21   28 o   47.813   14.874   1.1031   7.4645  -2.6611   11.851   3.5786   9.6105   46.520   21.230   49.106   20.837 -2.585640 29.74714 
1 1 1  -33   21   29 o   60.795   17.202   10.218   8.5784   11.181   11.933   9.1869   12.341   61.942   24.349   59.649   24.306 2.293358 34.40432 
1 1 1  -33   21   30 o   54.984   16.933   2.2302   9.8124   12.221   14.289  -6.6847   13.498   64.017   26.128   45.951   21.547 18.06527 33.86637 
1 1 1  -33   21   31 o   69.480   18.284   17.502   10.050   6.0473   14.371   28.468   14.061   55.402   24.468   83.557   27.176 -28.15504 36.56839 
1 1 1  -33   21   32 o   81.084   18.374   28.124   10.223   14.446   14.632   41.171   14.290   61.572   25.895  100.596   26.074 -39.02343 36.74783 
1 1 1  -33   21   33 o   40.347   13.456  -5.6927   7.4709  -4.0284   11.703  -6.8376   9.7062   43.207   20.197   37.487   17.787 5.720772 26.91231 
1 1 1  -33   21   34 o   47.619   14.779   2.5671   7.4713  -2.4438   11.569   6.1522   9.7856   44.464   20.541   50.774   21.255 -6.310558 29.55880 
1 1 1  -33   21   35 o   55.570   16.166   9.9088   7.7116   11.310   12.057   8.9386   10.032   57.555   23.801   53.585   21.884 3.970779 32.33234 
1 1 1  -33   21   36 o   64.512   16.529   14.790   7.8389   27.087   12.267   6.3021   10.191   79.557   25.336   49.466   21.235 30.09169 33.05772 
1 1 1  -33   22    1 o   83.110   14.681   21.462   6.6282   27.357   9.9126   16.696   8.9142   93.615   20.189   72.605   21.320 21.01064 29.36219 
1 1 1  -33   22    2 o   49.701   14.315   2.9696   6.6627   9.2704   8.4921  -7.1194   10.746   57.685   21.009   41.717   19.451 15.96874 28.63024 
1 1 1  -33   22    3 o   36.811   12.398 -10.1358   6.8042  -8.5210   9.3056 -11.9910   9.9743   37.221   17.588   36.401   17.478 0.8197021 24.79516 
1 1 1  -33   22    4 o   77.839   15.884   19.500   7.0111   18.998   10.842   19.862   9.1916   76.547   23.742   79.132   21.107 -2.585304 31.76747 
1 1 1  -33   22    5 o   83.537   14.522   22.905   7.2155   10.532   10.975   32.325   9.5758   62.111   23.632  104.964   16.883 -42.85263 29.04326 
1 1 1  -33   22    6 o  123.977   11.305   45.833   7.3412   36.341   10.882   53.762   9.9454  110.567   18.213  137.386   13.396 -26.81875 22.60921 
1 1 1  -33   22    7 o   47.163   14.489   0.8450   6.8868  -1.0003   10.258   2.3589   9.2918   46.193   20.523   48.132   20.459 -1.938732 28.97864 
1 1 1  -33   22    8 o   78.126   22.219   16.055   13.905   30.968   23.642   8.1689   17.193   90.849   34.657   65.403   27.815 25.44610 44.43818 
1 1 1  -33   22    9 o   83.461   22.410   23.774   13.450   24.977   23.634   23.198   16.358   84.752   33.956   82.170   29.255 2.582733 44.82048 
1 1 1  -33   22   10 o   43.135   14.598 -11.4862   8.5257 -12.5297   10.129  -8.9504   15.790   36.347   17.493   49.924   23.376 -13.57696 29.19633 
1 1 1  -33   22   11 o   35.481   12.077 -12.6363   6.8012  -8.0479   10.010 -16.5702   9.2690   39.153   18.421   31.808   15.621 7.344507 24.15310 
1 1 1  -33   22   12 o   44.701   13.733  -1.0947   6.6119  -9.1824   9.8901   5.4412   8.8907   37.963   17.996   51.439   20.750 -13.47608 27.46620 
1 1 1  -33   22   13 o   51.590   15.027   3.7011   6.9159   9.4531   10.351  -0.9379   9.2954   59.276   22.852   43.903   19.520 15.37260 30.05372 
1 1 1  -33   22   14 o   61.179   15.943   10.484   7.0373   14.712   10.406   6.9214   9.5533   67.918   23.397   54.440   21.663 13.47867 31.88552 
1 1 1  -33   22   15 f   48.111   14.559   2.3379   6.7024   3.1615   10.012   1.6690   9.0224   49.945   21.233   46.276   19.925 3.668930 29.11774 
1 1 1  -33   22   16 o   76.641   15.730   19.716   7.3117   11.995   11.056   25.719   9.7479   63.557   23.822   89.726   20.547 -26.16911 31.45926 
1 1 1  -33   22   17 o   51.717   14.929   4.5040   6.9683  -2.2599   10.673   9.5297   9.1998   45.294   20.463   58.139   21.743 -12.84554 29.85738 
1 1 1  -33   22   18 o   94.979   14.673   28.726   7.2600   30.273   11.121   27.578   9.5842   96.458   21.843   93.500   19.596 2.958145 29.34518 
1 1 1  -33   22   19 o   34.857   11.907 -13.2297   6.8202  -7.6693   9.7819 -18.4899   9.5141   38.523   18.151   31.191   15.415 7.331385 23.81337 
1 1 1  -33   22   20 o   36.584   12.403 -10.6375   6.9751  -9.0458   10.465 -11.9099   9.3565   38.822   18.434   34.345   16.600 4.476269 24.80676 
1 1 1  -33   22   21 o   48.826   14.607   2.2941   7.1394  -6.0059   10.730   8.8885   9.5639   41.402   19.348   56.249   21.888 -14.84690 29.21333 
1 1 1  -33   22   22 o   60.305   16.104   11.237   7.3043   7.8761   11.062   13.836   9.7262   56.074   22.949   64.536   22.597 -8.461853 32.20739 
1 1 1  -33   22   23 f   69.440   16.346   16.667   7.4422   11.486   11.628   20.262   9.6861   61.663   24.095   77.216   22.095 -15.55316 32.69216 
1 1 1  -33   22   24 o   99.596   15.072   32.877   7.8145   30.811   11.840   34.472   10.402   94.999   23.253  104.192   19.182 -9.193245 30.14386 
1 1 1  -33   22   25 o   40.641   13.388  -6.8972   7.3416 -12.8922   10.575  -1.3203   10.200   36.567   17.668   44.715   20.121 -8.147694 26.77657 
1 1 1  -33   22   26 o  108.807   16.220   37.862   9.5340   23.024   12.415   59.189   14.884   80.494   25.473  137.119   20.088 -56.62482 32.44086 
1 1 1  -33   22   27 o   98.612   18.533   36.284   10.407   26.667   15.125   44.932   14.342   83.205   28.217  114.020   24.036 -30.81512 37.06639 
1 1 1  -33   22   28 f   44.603   14.855  -6.4405   9.3201 -10.8581   13.308  -2.1881   13.057   41.955   20.156   47.250   21.826 -5.295506 29.70942 
1 1 1  -33   22   29 o   47.235   15.426  -5.0826   9.4262   10.727   14.441 -16.8198   12.443   57.945   25.077   36.525   17.970 21.41915 30.85119 
1 1 1  -33   22   30 o   59.189   16.804   11.996   8.0335   13.854   12.984   10.844   10.226   61.503   24.982   56.874   22.482 4.628826 33.60841 
1 1 1  -33   22   31 o   38.916   13.013  -7.9537   7.4978 -17.3223   11.711  -1.4465   9.7603   35.534   17.473   42.297   19.289 -6.762264 26.02625 
1 1 1  -33   22   32 o   47.027   14.585   0.6250   7.7956 -10.9442   11.835   9.4913   10.361   38.792   18.730   55.263   22.362 -16.47110 29.16936 
1 1 1  -33   22   33 o   97.408   14.720   32.724   7.8141   51.528   12.243   19.796   10.151  124.079   18.260   70.737   23.094 53.34160 29.44082 
1 1 1  -33   23    1 o  113.820   12.272   38.788   7.2677   47.735   10.700   31.126   9.9023  127.623   15.516  100.017   19.017 27.60530 24.54364 
1 1 1  -33   23    2 o   60.151   14.736   9.3317   7.1771   18.982   9.1444  -6.1509   11.582   76.505   21.322   43.798   20.345 32.70705 29.47136 
1 1 1  -33   23    3 o   50.504   14.804   1.0458   7.1495   11.439   10.690  -7.3655   9.6168   62.448   23.421   38.559   18.114 23.88951 29.60872 
1 1 1  -33   23    4 o   58.189   15.102   7.6136   7.2378  -4.0856   10.792   17.178   9.7576   43.892   20.117   72.485   22.530 -28.59321 30.20423 
1 1 1  -33   23    5 o   76.953   15.018   17.944   7.2797   31.787   10.779   6.3350   9.8707   99.977   20.637   53.928   21.825 46.04951 30.03663 
1 1 1  -33   23    6 o   55.604   18.507  -7.6695   13.673 -14.3266   24.270  -4.5743   16.549   57.831   27.632   53.376   24.627 4.454281 37.01308 
1 1 1  -33   23    7 o   65.344   20.696   1.5824   14.078   18.793   24.872  -6.5315   17.078   77.838   33.287   52.850   24.601 24.98799 41.39164 
1 1 1  -33   23    8 f   58.510   18.778  -2.5798   13.627 -22.5450   22.769   8.5608   17.009   52.615   25.540   64.404   27.534 -11.78896 37.55573 
1 1 1  -33   23    9 o   97.262   14.096   31.327   7.4999   14.328   10.754   47.427   10.465   67.156   23.740  127.367   15.206 -60.21116 28.19252 
1 1 1  -33   23   10 o   34.794   11.916 -14.0717   7.0210 -20.6785   10.533  -8.7889   9.4185   32.644   16.149   36.945   17.527 -4.301762 23.83254 
1 1 1  -33   23   11 o   87.205   15.757   25.559   7.5815   19.980   11.246   30.208   10.265   76.879   24.234   97.530   20.144 -20.65131 31.51335 
1 1 1  -33   23   12 o  100.524   13.995   31.189   7.4268   39.834   11.193   24.390   9.9265  114.628   18.071   86.421   21.375 28.20629 27.99030 
1 1 1  -33   23   13 o   42.974   13.761  -8.0647   7.2900   5.9304   11.107 -18.6547   9.6622   54.524   22.720   31.424   15.531 23.10000 27.52105 
1 1 1  -33   23   14 o   51.232   14.265   2.3681   7.0505 -12.3965   10.617   14.017   9.4301   36.963   17.820   65.502   22.280 -28.53899 28.52950 
1 1 1  -33   23   15 f   59.334   15.817   8.6878   7.4835   18.056   10.966   0.5230   10.238   72.202   24.025   46.466   20.580 25.73583 31.63478 
1 1 1  -33   23   16 o   39.680   13.079  -9.9509   7.5513 -25.9526   11.673   1.5636   9.9023   32.504   16.230   46.856   20.514 -14.35225 26.15846 
1 1 1  -33   23   17 o   53.295   16.034   5.2839   7.9809   5.4747   12.527   5.1536   10.354   54.834   23.541   51.756   21.776 3.077538 32.06834 
1 1 1  -33   23   18 o   34.925   12.159 -18.4175   7.8656 -16.7036   12.197 -19.6378   10.292   37.658   18.372   32.192   15.932 5.466244 24.31799 
1 1 1  -33   23   19 o   39.815   13.169  -8.5504   7.4473 -19.2324   11.295  -0.3353   9.9053   34.650   17.062   44.979   20.064 -10.32844 26.33720 
1 1 1  -33   23   20 o   37.703   12.817 -13.4981   7.9203 -25.8531   12.689  -5.6127   10.137   34.734   17.275   40.671   18.939 -5.937222 25.63475 
1 1 1  -33   23   21 o   78.500   17.342   21.448   8.0858   21.652   12.764   21.312   10.450   77.957   25.919   79.043   23.047 -1.085464 34.68412 
1 1 1  -33   23   22 o   82.546   16.862   22.398   8.0519   32.223   12.627   15.665   10.453   96.602   24.231   68.491   23.456 28.11167 33.72449 
1 1 1  -33   23   23 o   48.246   15.578  -2.5161   9.1252   1.0963   12.143  -7.2027   13.831   50.176   22.309   46.315   21.747 3.861153 31.15508 
1 1 1  -33   23   24 o   90.858   19.499   32.172   10.405   33.041   15.032   31.374   14.417   91.734   27.868   89.982   27.281 1.752876 38.99813 
1 1 1  -33   23   25 o   55.649   17.225   7.0170   9.9997   2.1660   14.118   11.901   14.166   51.149   23.276   60.148   25.397 -8.999397 34.45015 
1 1 1  -33   23   26 o  112.098   18.203   50.177   10.803   47.162   15.707   52.883   14.881  106.248   27.233  117.947   24.161 -11.69938 36.40582 
1 1 1  -33   23   27 o   65.322   17.212   16.426   8.6099   9.3536   13.760   20.978   11.038   57.101   24.596   73.542   24.086 -16.44139 34.42493 
1 1 1  -33   23   28 o   80.673   16.683   23.990   7.8147   29.461   11.539   19.355   10.621   89.395   23.557   71.952   23.630 17.44311 33.36613 
1 1 1  -33   23   29 o   48.151   14.636   1.9449   7.6039  -9.4517   11.489   10.827   10.143   39.114   18.774   57.189   22.459 -18.07484 29.27249 
1 1 1  -33   23   30 o   72.823   16.552   21.331   7.6821   15.963   11.315   25.923   10.464   63.430   24.028   82.216   22.771 -18.78641 33.10405 
1 1 1  -33   23   31 o   60.546   16.571   13.582   7.8042   20.292   11.916   8.5423   10.327   68.795   24.912   52.297   21.859 16.49825 33.14263 
1 1 1  -33   24    1 o  133.307   12.624   55.115   8.8090   56.114   11.288   53.559   14.088  137.134   15.232  129.480   20.136 7.654434 25.24828 
1 1 1  -33   24    2 o   67.591   16.491   15.414   7.4474   19.168   10.542   11.673   10.523   74.075   23.476   61.107   23.166 12.96732 32.98151 
1 1 1  -33   24    3 o   60.269   15.707   10.235   7.5069   0.6617   11.106   18.289   10.187   47.873   21.308   72.664   23.082 -24.79147 31.41315 
1 1 1  -33   24    4 o   55.090   17.913 -10.3759   14.380 -57.6351   25.051   12.847   17.561   43.883   22.158   66.297   28.151 -22.41425 35.82521 
1 1 1  -33   24    5 o   74.649   21.898   20.893   14.992   10.007   25.803   26.441   18.420   68.501   31.287   80.796   30.646 -12.29494 43.79512 
1 1 1  -33   24    6 o   64.088   20.100   6.7033   14.942 -15.6622   25.601   18.259   18.402   56.328   27.281   71.848   29.525 -15.52024 40.19913 
1 1 1  -33   24    7 o   80.867   16.757   23.022   7.8008   23.858   10.965   22.165   11.101   82.541   23.471   79.193   23.923 3.347641 33.51359 
1 1 1  -33   24    8 o   50.120   15.102   3.9738   7.1950   2.9605   10.012   5.0562   10.347   48.599   20.957   51.641   21.750 -3.041695 30.20349 
1 1 1  -33   24    9 o   57.466   15.762   8.3077   7.4319   15.432   10.581   1.3691   10.441   67.391   23.571   47.542   20.934 19.84949 31.52454 
1 1 1  -33   24   10 o   55.092   15.196   4.3990   7.6646  -8.6357   10.915   17.079   10.765   39.843   18.892   70.340   23.806 -30.49630 30.39132 
1 1 1  -33   24   11 o   48.774   14.874   2.1122   7.2833   6.6287   10.388  -2.2554   10.215   53.919   22.173   43.628   19.833 10.29047 29.74854 
1 1 1  -33   24   12 o   41.335   13.568  -7.7140   7.5846 -16.6812   10.767   1.1189   10.686   34.772   17.027   47.898   21.130 -13.12653 27.13647 
1 1 1  -33   24   13 o   66.114   16.761   14.305   7.8183   9.8220   11.493   18.167   10.666   59.518   23.737   72.711   23.671 -13.19274 33.52198 
1 1 1  -33   24   14 o   39.116   13.287 -13.2079   8.2546 -19.4751   11.645  -6.8787   11.703   35.345   17.388   42.888   20.095 -7.543133 26.57355 
1 1 1  -33   24   18 o   47.316   15.388  -6.1353   9.5677 -18.7405   14.457   3.6882   12.762   41.002   20.003   53.629   23.390 -12.62636 30.77656 
1 1 1  -33   24   19 o   31.233   11.057 -26.2174   7.8826 -28.4784   11.649 -24.3077   10.706   31.447   15.777   31.018   15.497 0.4296379 22.11444 
1 1 1  -33   24   20 o   38.420   13.272 -16.1697   8.7965 -20.4883   11.553 -10.2117   13.570   33.996   16.835   42.844   20.522 -8.847855 26.54371 
1 1 1  -33   24   21 o   46.791   15.241  -7.2374   9.6464   10.505   13.833 -24.0315   13.459   58.062   24.827   35.520   17.686 22.54228 30.48288 
1 1 1  -33   24   22 o   41.547   14.213 -11.0483   9.7917 -14.6081   14.089  -7.7230   13.618   40.115   19.608   42.978   20.579 -2.863308 28.42509 
1 1 1  -33   24   23 o   59.173   17.653   10.219   9.9773   19.016   14.535   2.3806   13.720   67.795   26.802   50.550   22.982 17.24501 35.30563 
1 1 1  -33   24   24 o  111.895   16.371   44.779   9.2663   44.369   15.754   44.995   11.458  105.273   27.421  118.516   17.891 -13.24335 32.74127 
1 1 1  -33   24   25 o   50.799   14.946   1.8655   8.1135 -15.5507   12.417   14.842   10.718   37.650   18.405   63.948   23.554 -26.29743 29.89214 
1 1 1  -33   24   26 f   44.055   14.279  -0.7871   7.6898  -2.4799   11.545   0.5628   10.310   43.681   20.298   44.428   20.088 -0.7476196 28.55736 
1 1 1  -33   24   27 o   56.269   15.795   7.7246   7.8461   21.700   12.038  -2.5979   10.346   71.429   25.132   41.109   19.140 30.32004 31.59035 
1 1 1  -33   25    1 o   58.552   17.057   7.6701   8.4498   4.8190   10.616   12.599   13.959   52.164   22.004   64.941   26.069 -12.77746 34.11360 
1 1 1  -33   25    2 o   70.906   29.932   15.554   19.667   0.0000   0.0000   15.554   19.667  ?   ?    70.906   29.932      ?      ? 
1 1 1  -33   25    3 o   63.568   20.257   4.2696   15.170  -9.6914   24.591   12.847   19.275   58.785   28.012   68.350   29.269 -9.564777 40.51311 
1 1 1  -33   25    4 o   83.787   21.808   27.126   14.208   11.635   21.181   39.797   19.157   68.461   29.988   99.113   31.671 -30.65233 43.61580 
1 1 1  -33   25    5 o   64.630   16.405   11.947   7.9006   3.3524   10.913   21.413   11.453   50.898   21.914   78.362   24.418 -27.46409 32.80954 
1 1 1  -33   25    6 o   60.295   14.855   4.8825   7.8663   24.099   11.187 -13.9139   11.064   83.566   23.688   37.025   17.932 46.54185 29.70975 
1 1 1  -33   25    7 o   91.777   15.084   26.698   7.9001   14.573   10.497   42.535   11.997   66.483   23.461  117.070   18.964 -50.58662 30.16715 
1 1 1  -33   25    8 o   46.923   14.811  -0.2546   7.5967  -1.5426   10.168   1.3722   11.428   44.361   20.013   49.485   21.839 -5.124275 29.62259 
1 1 1  -33   25    9 o   53.938   15.808   4.1039   8.0693  -4.4296   11.310   12.952   11.516   43.932   20.300   63.945   24.237 -20.01273 31.61550 
1 1 1  -33   25   10 o   61.532   16.601   11.429   7.8181   15.096   10.963   7.6328   11.153   67.000   23.939   56.063   23.005 10.93649 33.20163 
1 1 1  -33   25   11 o   99.536   15.553   33.426   8.1478   35.589   11.470   31.223   11.576  103.623   21.199   95.450   22.764 8.172806 31.10593 
1 1 1  -33   25   12 o  126.783   12.156   49.489   8.3218   52.003   12.028   47.180   11.525  129.921   17.133  123.646   17.250 6.275436 24.31272 
1 1 1  -33   25   13 o   39.921   13.271  -8.5797   7.6034 -17.6554   10.868   0.1211   10.641   34.004   16.742   45.837   20.595 -11.83291 26.54180 
1 1 1  -33   25   14 o   39.352   13.290 -10.0194   8.0357  -3.0409   11.400 -16.9097   11.328   43.733   20.269   34.971   17.194 8.762001 26.57948 
1 1 1  -33   25   15 o  100.046   15.752   36.231   8.5904   46.681   12.433   26.685   11.883  117.925   19.511   82.167   24.736 35.75851 31.50456 
1 1 1  -33   25   16 o   44.072   14.635  -4.9895   9.2343   2.3615   11.553 -17.9955   15.367   47.597   21.416   40.548   19.953 7.048664 29.27054 
1 1 1  -33   25   17 o  108.998   16.894   44.790   10.149   28.761   13.642   64.662   15.189   81.576   26.779  136.420   20.605 -54.84435 33.78897 
1 1 1  -33   25   18 o   57.109   17.128   9.0461   9.6789   15.595   12.783   0.2471   14.817   63.989   25.186   50.230   23.220 13.75890 34.25613 
1 1 1  -33   25   19 o   76.130   18.824   23.658   9.5702   25.203   13.422   22.061   13.650   78.642   26.581   73.618   26.662 5.023872 37.64848 
1 1 1  -33   25   20 o   62.671   17.341   9.5150   9.6396  -4.6824   12.998   26.869   14.370   45.052   21.131   80.289   27.503 -35.23658 34.68293 
1 1 1  -33   25   21 o   37.794   13.076 -14.9267   8.1225  -6.5428   13.596 -19.5795   10.129   44.433   21.073   31.155   15.485 13.27825 26.15119 
1 1 1  -33   25   22 o   48.678   15.303   3.4199   8.1674  -0.0635   12.250   6.2075   10.958   46.419   21.333   50.936   21.945 -4.517319 30.60519 
1 1 1  -33   25   23 o  103.988   15.245   37.910   8.5131   58.712   13.365   23.706   11.044  131.572   18.798   76.403   24.005 55.16893 30.48934 
1 1 1  -33   25   24 o   44.501   14.527  -1.3591   8.1179   5.2139   12.354  -6.3545   10.770   50.155   22.387   38.847   18.518 11.30753 29.05342 
1 1 1  -33   26    1 o   58.680   26.833   8.5766   19.053   0.0000   0.0000   8.5766   19.053  ?   ?    58.680   26.833      ?      ? 
1 1 1  -33   26    2 o   70.261   29.902   23.874   19.896   0.0000   0.0000   23.874   19.896  ?   ?    70.261   29.902      ?      ? 
1 1 1  -33   26    3 o   46.295   14.602   2.2162   7.3746   0.8565   9.9012   3.9103   11.052   43.984   19.805   48.607   21.463 -4.622559 29.20415 
1 1 1  -33   26    4 o   72.566   16.757   20.691   7.5527   20.622   10.394   20.767   10.993   72.838   23.335   72.295   24.055 0.5424500 33.51355 
1 1 1  -33   26    5 o   46.338   14.521  -0.2117   7.5647  -8.6917   10.220   10.064   11.250   36.851   17.693   55.825   23.030 -18.97440 29.04164 
1 1 1  -33   26    6 o   80.625   16.789   25.392   7.8699   27.901   10.942   22.703   11.328   85.839   23.087   75.410   24.382 10.42979 33.57750 
1 1 1  -33   26    7 o   49.634   15.024   4.9876   7.2404   1.3024   9.8393   9.3399   10.693   44.466   19.904   54.802   22.511 -10.33588 30.04870 
1 1 1  -33   26    8 o   39.920   13.259  -4.7820   7.2623  -3.1321   9.5891  -7.0014   11.121   39.989   18.554   39.851   18.946 0.1378670 26.51788 
1 1 1  -33   26    9 o   64.607   16.644   15.629   7.6804   18.310   10.348   12.341   11.460   69.538   23.341   59.676   23.733 9.861664 33.28749 
1 1 1  -33   26   10 o   52.428   15.572   6.3196   7.5409   2.2926   10.195   11.185   11.206   46.543   20.579   58.314   23.375 -11.77156 31.14345 
1 1 1  -33   26   11 o   80.488   17.852   25.609   8.6201   26.485   10.776   24.054   14.365   85.064   22.925   75.912   27.373 9.151505 35.70488 
1 1 1  -33   26   12 o   56.506   16.892   8.7194   8.9938   11.525   11.736   4.7275   14.000   59.344   23.875   53.669   23.902 5.675312 33.78345 
1 1 1  -33   26   13 o   61.743   17.140   12.570   8.9245   19.565   12.061   4.1036   13.268   71.110   25.141   52.375   23.302 18.73553 34.27916 
1 1 1  -33   26   14 o   75.398   17.579   21.941   9.7303   34.887   13.195   6.5090   14.406   95.344   25.222   55.452   24.494 39.89143 35.15817 
1 1 1  -33   26   15 o   63.080   17.531   12.711   9.4194   2.3333   12.915   24.504   13.768   49.867   22.521   76.292   26.874 -26.42525 35.06261 
1 1 1  -33   26   16 f  116.226   16.414   49.345   10.099   34.820   13.611   67.140   15.065   92.080   26.138  140.372   19.861 -48.29169 32.82762 
1 1 1  -33   26   17 o   55.959   16.292   10.578   7.9553   9.5151   11.289   11.627   11.212   54.626   22.846   57.292   23.235 -2.666058 32.58495 
1 1 1  -33   26   18 o   65.963   17.188   17.876   8.0667   20.310   11.875   15.791   10.992   69.146   24.893   62.781   23.707 6.364819 34.37598 
1 1 1  -33   26   19 o  111.785   20.648   44.823   12.013   0.0000   0.0000   44.823   12.013  ?   ?   111.785   20.648      ?      ? 
1 1 1  -33   27    1 o   51.868   15.743   7.5157   7.9167   7.0495   11.038   8.0097   11.361   51.209   22.043   52.528   22.481 -1.318851 31.48519 
1 1 1  -33   27    2 o   44.116   14.161  -0.3514   7.3651  -5.3181   9.8433   5.9662   11.101   38.103   18.031   50.130   21.840 -12.02638 28.32132 
1 1 1  -33   27    3 f   45.086   14.251  -0.4726   7.0709  -6.8339   8.9900   9.8461   11.450   35.333   16.864   54.839   22.977 -19.50594 28.50140 
1 1 1  -33   27    4 o   69.741   26.840   22.054   14.260   0.0000   0.0000   22.054   14.260  ?   ?    69.741   26.840      ?      ? 
1 1 1  -33   27    5 o   52.723   15.290   5.7818   8.3369   17.270   10.719 -11.8086   13.264   65.560   23.645   39.886   19.391 25.67361 30.57944 
1 1 1  -33   27    6 o   52.238   16.207   6.8900   8.5607   6.0023   10.823   8.3739   13.992   49.925   21.658   54.550   24.115 -4.624695 32.41329 
1 1 1  -33   27    7 o   59.100   17.494   12.902   9.2345   10.759   11.993   16.023   14.473   56.005   23.493   62.195   25.927 -6.190098 34.98737 
1 1 1  -33   27    8 o   55.783   16.206   10.013   8.5834   17.074   11.098  -0.4989   13.541   64.689   23.942   46.876   21.849 17.81257 32.41288 
1 1 1  -33   27    9 o   52.454   16.425   6.3183   9.2458   1.6025   12.495   12.025   13.745   47.236   21.648   57.673   24.707 -10.43783 32.84914 
1 1 1  -33   27   10 o   40.127   13.739 -10.0078   8.6539 -14.0563   10.960  -3.3063   14.102   34.726   17.041   45.529   21.555 -10.80299 27.47728 
1 1 1  -32    0    1 o  346.729   5.5314  325.696   14.640  325.696   14.640  325.696   14.640  346.729   7.8226  346.729   7.8226 0.000000 0.000000 
1 1 1  -32    0    2 o  634.035   8.0816  1089.91   39.128  1089.91   39.128  1089.91   39.128  634.035   11.429  634.035   11.429 0.000000 0.000000 
1 1 1  -32    0    3 o  861.641   10.589  2016.27   69.675  2016.27   69.675  2016.27   69.675  861.641   14.975  861.641   14.975 0.000000 0.000000 
1 1 1  -32    0    4 f   22.111   10.913  -6.5451   6.7343  -6.5451   6.7343  -6.5451   6.7343   22.111   15.434   22.111   15.434 0.000000 0.000000 
1 1 1  -32    0    5 o  276.868   5.3383  207.798   11.276  207.798   11.276  207.798   11.276  276.868   7.5494  276.868   7.5494 0.000000 0.000000 
1 1 1  -32    0    6 o   50.189   16.133   9.9602   6.6976   9.9602   6.6976   9.9602   6.6976   50.189   22.815   50.189   22.815 0.000000 0.000000 
1 1 1  -32    0    7 o   25.517   12.108  -2.6042   6.6407  -2.6042   6.6407  -2.6042   6.6407   25.517   17.123   25.517   17.123 0.000000 0.000000 
1 1 1  -32    0    8 o  574.629   7.4876  895.013   32.855  895.013   32.855  895.013   32.855  574.629   10.589  574.629   10.589 0.000000 0.000000 
1 1 1  -32    0    9 o  502.571   6.8002  684.433   26.095  684.433   26.095  684.433   26.095  502.571   9.6170  502.571   9.6170 0.000000 0.000000 
1 1 1  -32    0   10 o  549.431   7.2428  818.208   30.387  818.208   30.387  818.208   30.387  549.431   10.243  549.431   10.243 0.000000 0.000000 
1 1 1  -32    0   11 o  295.401   5.4163  236.528   12.208  236.528   12.208  236.528   12.208  295.401   7.6598  295.401   7.6598 0.000000 0.000000 
1 1 1  -32    0   12 o  320.394   5.5234  278.202   13.506  278.202   13.506  278.202   13.506  320.394   7.8113  320.394   7.8113 0.000000 0.000000 
1 1 1  -32    0   13 o  270.983   5.4030  199.124   11.169  199.124   11.169  199.124   11.169  270.983   7.6411  270.983   7.6411 0.000000 0.000000 
1 1 1  -32    0   14 o  349.453   5.6375  330.924   15.037  330.924   15.037  330.924   15.037  349.453   7.9727  349.453   7.9727 0.000000 0.000000 
1 1 1  -32    0   15 o   30.268   13.611   0.7429   6.8938   0.7429   6.8938   0.7429   6.8938   30.268   19.249   30.268   19.249 0.000000 0.000000 
1 1 1  -32    0   16 o  245.603   5.5995  163.727   10.485  163.727   10.485  163.727   10.485  245.603   7.9189  245.603   7.9189 0.000000 0.000000 
1 1 1  -32    0   17 o   37.890   16.852   2.0097   10.246   2.0097   10.246   2.0097   10.246   37.890   23.832   37.890   23.832 0.000000 0.000000 
1 1 1  -32    0   18 o  312.349   5.6189  264.548   13.392  264.548   13.392  264.548   13.392  312.349   7.9463  312.349   7.9463 0.000000 0.000000 
1 1 1  -32    0   19 o   50.624   18.967   10.214   9.8571   10.214   9.8571   10.214   9.8571   50.624   26.824   50.624   26.824 0.000000 0.000000 
1 1 1  -32    0   20 o   51.549   16.946   10.640   7.4073   10.640   7.4073   10.640   7.4073   51.549   23.965   51.549   23.965 0.000000 0.000000 
1 1 1  -32    0   21 o  227.033   5.5806  140.043   9.6557  140.043   9.6557  140.043   9.6557  227.033   7.8922  227.033   7.8922 0.000000 0.000000 
1 1 1  -32    0   22 o   20.356   10.228  -9.2572   6.8097  -9.2572   6.8097  -9.2572   6.8097   20.356   14.465   20.356   14.465 0.000000 0.000000 
1 1 1  -32    0   23 o  250.338   8.3200  171.194   15.837  171.194   15.837  171.194   15.837  250.338   11.766  250.338   11.766 0.000000 0.000000 
1 1 1  -32    0   26 o  162.119   6.9121   72.053   8.4921   72.053   8.4921   72.053   8.4921  162.119   9.7752  162.119   9.7752 0.000000 0.000000 
1 1 1  -32    0   27 o   33.502   14.388   2.9150   6.8608   2.9150   6.8608   2.9150   6.8608   33.502   20.348   33.502   20.348 0.000000 0.000000 
1 1 1  -32    0   28 o   29.364   13.418  -0.0369   7.0477  -0.0369   7.0477  -0.0369   7.0477   29.364   18.976   29.364   18.976 0.000000 0.000000 
1 1 1  -32    0   29 o  174.880   6.5252   83.656   8.6649   83.656   8.6649   83.656   8.6649  174.880   9.2280  174.880   9.2280 0.000000 0.000000 
1 1 1  -32    0   30 o  273.165   5.7094  202.801   11.895  202.801   11.895  202.801   11.895  273.165   8.0743  273.165   8.0743 0.000000 0.000000 
1 1 1  -32    0   31 o   26.200   12.428  -2.5538   6.9869  -2.5538   6.9869  -2.5538   6.9869   26.200   17.576   26.200   17.576 0.000000 0.000000 
1 1 1  -32    0   32 o  163.207   6.7464   73.089   8.3484   73.089   8.3484   73.089   8.3484  163.207   9.5409  163.207   9.5409 0.000000 0.000000 
1 1 1  -32    0   33 o   39.287   15.499   5.9187   6.9335   5.9187   6.9335   5.9187   6.9335   39.287   21.919   39.287   21.919 0.000000 0.000000 
1 1 1  -32    0   34 o  141.708   7.6841   55.639   8.2087   55.639   8.2087   55.639   8.2087  141.708   10.867  141.708   10.867 0.000000 0.000000 
1 1 1  -32    0   35 o   22.716   11.168  -5.9346   6.8643  -5.9346   6.8643  -5.9346   6.8643   22.716   15.794   22.716   15.794 0.000000 0.000000 
1 1 1  -32    0   36 o  415.284   6.1974  469.375   19.648  469.375   19.648  469.375   19.648  415.284   8.7644  415.284   8.7644 0.000000 0.000000 
1 1 1  -32    0   37 o   25.101   12.094  -3.8465   7.1421  -3.8465   7.1421  -3.8465   7.1421   25.101   17.103   25.101   17.103 0.000000 0.000000 
1 1 1  -32    0   38 o   53.641   17.061   11.733   7.4834   11.733   7.4834   11.733   7.4834   53.641   24.128   53.641   24.128 0.000000 0.000000 
1 1 1  -32    0   39 o  269.022   5.6556  197.275   11.604  197.275   11.604  197.275   11.604  269.022   7.9983  269.022   7.9983 0.000000 0.000000 
1 1 1  -32    0   40 o   29.355   13.525  -0.2383   7.3633  -0.2383   7.3633  -0.2383   7.3633   29.355   19.128   29.355   19.128 0.000000 0.000000 
1 1 1  -32    0   41 o  203.225   6.2358  113.177   9.6430  113.177   9.6430  113.177   9.6430  203.225   8.8188  203.225   8.8188 0.000000 0.000000 
1 1 1  -32    0   42 o  162.500   7.2603   73.070   8.9335   73.070   8.9335   73.070   8.9335  162.500   10.268  162.500   10.268 0.000000 0.000000 
1 1 1  -32    0   43 o  109.566   9.9774   34.773   7.9733   34.773   7.9733   34.773   7.9733  109.566   14.110  109.566   14.110 0.000000 0.000000 
1 1 1  -32    0   44 o  129.616   8.3752   47.364   8.1365   47.364   8.1365   47.364   8.1365  129.616   11.844  129.616   11.844 0.000000 0.000000 
1 1 1  -32    0   45 o  122.494   9.8029   43.154   8.8733   43.154   8.8733   43.154   8.8733  122.494   13.863  122.494   13.863 0.000000 0.000000 
1 1 1  -32    0   46 o  185.878   6.7616   95.342   9.5466   95.342   9.5466   95.342   9.5466  185.878   9.5623  185.878   9.5623 0.000000 0.000000 
1 1 1  -32    0   47 o   37.707   16.191   4.5837   8.6841   4.5837   8.6841   4.5837   8.6841   37.707   22.898   37.707   22.898 0.000000 0.000000 
1 1 1  -32    0   48 f   29.186   13.695  -1.2243   8.0985  -1.2243   8.0985  -1.2243   8.0985   29.186   19.368   29.186   19.368 0.000000 0.000000 
1 1 1  -32    0   49 o  310.352   5.9977  264.359   14.201  264.359   14.201  264.359   14.201  310.352   8.4820  310.352   8.4820 0.000000 0.000000 
1 1 1  -32    0   50 o  146.235   8.9498   61.076   9.8291   61.076   9.8291   61.076   9.8291  146.235   12.657  146.235   12.657 0.000000 0.000000 
1 1 1  -32    0   51 o  114.791   21.520   47.432   16.310   47.432   16.310   47.432   16.310  114.791   30.434  114.791   30.434 0.000000 0.000000 
1 1 1  -32    0   53 o  153.226   12.958   72.297   14.599   72.297   14.599   72.297   14.599  153.226   18.325  153.226   18.325 0.000000 0.000000 
1 1 1  -32    0   54 o   36.663   16.003   4.7560   8.8018   4.7560   8.8018   4.7560   8.8018   36.663   22.631   36.663   22.631 0.000000 0.000000 
1 1 1  -32    0   55 o  104.816   14.119   35.835   10.117   35.835   10.117   35.835   10.117  104.816   19.968  104.816   19.968 0.000000 0.000000 
1 1 1  -32    1    1 o  136.066   6.9714   50.210   5.1236   50.197   7.1418   50.224   7.3545  136.055   9.7142  136.076   10.002 -0.2169800E-01 13.94288 
1 1 1  -32    1    2 o  446.958   6.2404  541.376   15.072  539.513   21.350  543.227   21.280  446.187   8.8549  447.729   8.7956 -1.541901 12.48088 
1 1 1  -32    1    3 o  281.889   5.3138  215.078   8.0915  207.549   11.336  222.900   11.554  276.856   7.5772  286.922   7.4519 -10.06598 10.62752 
1 1 1  -32    1    4 o  380.922   5.7523  393.049   11.840  391.500   16.818  394.571   16.671  380.172   8.1865  381.673   8.0831 -1.500397 11.50459 
1 1 1  -32    1    5 o  106.630   8.6042   31.058   4.9195   26.704   6.9683   35.385   6.9463   99.095   13.013  114.164   11.260 -15.06827 17.20840 
1 1 1  -32    1    6 f  137.348   7.0256   51.219   5.1822   44.076   7.2281   58.774   7.4336  127.453   10.495  147.242   9.3428 -19.78861 14.05112 
1 1 1  -32    1    7 o  284.020   5.3018  218.171   8.1322  210.298   11.274  226.710   11.741  278.686   7.4866  289.354   7.5093 -10.66821 10.60367 
1 1 1  -32    1    8 o  518.200   6.9244  728.107   19.386  719.292   27.119  737.321   27.724  515.002   9.7448  521.397   9.8402 -6.395020 13.84882 
1 1 1  -32    1    9 o   61.093   12.982   9.6960   4.9150   15.252   7.1338   4.6750   6.7814   73.223   18.126   48.963   18.589 24.26056 25.96366 
1 1 1  -32    1   10 o  270.703   5.4232  198.476   7.9318  198.068   11.308  198.871   11.129  270.424   7.7385  270.983   7.6001 -0.5593262 10.84641 
1 1 1  -32    1   11 f  429.065   6.1493  498.897   14.256  493.845   19.994  504.121   20.332  426.860   8.6680  431.270   8.7247 -4.409607 12.29855 
1 1 1  -32    1   12 f  454.522   6.3929  560.121   15.701  558.062   22.201  562.181   22.209  453.684   9.0559  455.360   9.0259 -1.676300 12.78578 
1 1 1  -32    1   13 o  152.957   6.7962   63.582   5.6029   58.466   7.9341   68.672   7.9133  146.783   10.003  159.132   9.2027 -12.34987 13.59231 
1 1 1  -32    1   14 o  217.697   5.5948  128.400   6.5812  126.705   9.2799  130.116   9.3349  216.249   7.9415  219.145   7.8830 -2.895874 11.18965 
1 1 1  -32    1   15 o  271.324   5.4504  199.444   7.9902  203.675   11.335  195.266   11.265  274.190   7.6507  268.459   7.7651 5.730560 10.90089 
1 1 1  -32    1   16 o  276.306   6.6376  205.958   9.3963  203.453   11.543  210.878   16.176  274.011   7.7961  278.601   10.745 -4.590088 13.27524 
1 1 1  -32    1   17 o  310.598   5.6664  261.235   9.5004  266.848   13.810  256.192   13.090  313.746   8.1458  307.450   7.8790 6.295471 11.33283 
1 1 1  -32    1   18 o   64.602   19.073   11.683   7.1174   0.0000   0.0000   11.683   7.1174  ?   ?    64.602   19.073      ?      ? 
1 1 1  -32    1   19 o  233.960   6.8691  145.715   8.2956  139.091   10.204  158.626   14.246  226.442   8.3393  241.479   10.918 -15.03714 13.73826 
1 1 1  -32    1   20 o  399.849   7.3821  434.692   15.048  434.356   18.447  435.360   26.019  400.059   8.5330  399.638   12.049 0.4216919 14.76420 
1 1 1  -32    1   21 o  413.073   6.1364  463.203   13.696  461.156   19.241  465.305   19.500  412.156   8.6392  413.989   8.7169 -1.832397 12.27279 
1 1 1  -32    1   22 o  174.836   6.5258   83.048   6.1645   84.388   8.7066   81.701   8.7293  176.259   9.1414  173.413   9.3156 2.846283 13.05161 
1 1 1  -32    1   23 o   51.867   15.300   1.8504   7.1225   1.1586   9.7573   2.6396   10.421   50.159   21.123   53.575   22.139 -3.416168 30.59917 
1 1 1  -32    1   26 o  121.052   10.287   38.320   6.4526   33.893   7.8946   47.230   11.200  111.222   13.136  130.883   15.836 -19.66045 20.57446 
1 1 1  -32    1   27 o  141.213   7.3396   54.533   5.5856   51.146   8.0137   57.734   7.7896  136.878   10.835  145.549   9.9041 -8.671310 14.67924 
1 1 1  -32    1   28 o   46.193   12.963   3.3178   4.8476   2.0959   7.0319   4.4244   6.6918   44.543   18.271   47.844   18.393 -3.301262 25.92607 
1 1 1  -32    1   29 o  112.649   9.0862   34.880   5.5171   31.980   7.7825   37.811   7.8223  107.864   13.352  117.434   12.327 -9.569771 18.17241 
1 1 1  -32    1   30 o  122.239   8.5639   41.192   5.6000   34.399   7.8844   48.108   7.9552  111.870   13.043  132.609   11.102 -20.73946 17.12778 
1 1 1  -32    1   31 o  118.245   8.5249   38.418   5.4363   35.647   7.6823   41.198   7.6940  113.903   12.481  122.588   11.615 -8.685028 17.04971 
1 1 1  -32    1   32 o  210.217   6.0029  120.521   6.8068  129.443   9.6667  111.747   9.5863  217.999   8.2060  202.435   8.7635 15.56351 12.00572 
1 1 1  -32    1   33 o  203.661   6.0327  113.036   6.6344  110.405   9.1752  115.919   9.6043  201.201   8.4391  206.122   8.6229 -4.920486 12.06541 
1 1 1  -32    1   34 o   98.808   10.186   27.265   5.4106   25.257   7.8520   29.080   7.4660   95.157   15.270  102.460   13.485 -7.302467 20.37221 
1 1 1  -32    1   35 o  177.469   6.5594   86.483   6.2659   80.740   9.0568   91.755   8.6779  171.678   9.7627  183.260   8.7632 -11.58128 13.11885 
1 1 1  -32    1   36 o   36.576   11.680  -3.3277   4.9330  -1.7690   7.0229  -4.8457   6.9307   38.504   17.050   34.648   15.969 3.855553 23.36022 
1 1 1  -32    1   37 o  175.781   6.5262   84.484   6.1877   91.883   9.0034   77.860   8.5182  183.090   9.1002  168.472   9.3569 14.61778 13.05241 
1 1 1  -32    1   38 o   67.064   13.507   13.031   5.2441   9.2185   7.1478   17.475   7.7174   57.612   19.398   76.516   18.800 -18.90358 27.01359 
1 1 1  -32    1   39 o  117.781   8.7245   38.419   5.5212   44.516   8.0859   33.095   7.5572  126.636   11.816  108.927   12.839 17.70893 17.44906 
1 1 1  -32    1   40 o   97.276   11.241   27.413   5.7442   29.823   8.0170   24.871   8.2344  102.765   14.437   91.786   17.235 10.97960 22.48290 
1 1 1  -32    1   41 o  207.708   6.0860  117.891   6.7980  102.744   9.2900  135.350   9.9740  193.304   8.8938  222.111   8.3101 -28.80760 12.17203 
1 1 1  -32    1   42 o   91.628   11.568   24.515   5.5827   22.001   7.8987   27.025   7.8915   85.809   17.625   97.447   14.987 -11.63798 23.13503 
1 1 1  -32    1   43 o  109.647   9.6942   34.039   5.7339   31.454   8.0033   36.765   8.2190  105.236   14.074  114.058   13.335 -8.822113 19.38841 
1 1 1  -32    1   44 o   66.923   13.944   13.649   5.4067   11.660   7.4287   15.888   7.8841   62.185   19.707   71.660   19.734 -9.474762 27.88858 
1 1 1  -32    1   45 o   98.957   11.372   28.944   5.8094   36.575   8.3853   21.902   8.0560  113.237   13.704   84.677   18.152 28.56042 22.74370 
1 1 1  -32    1   46 o   40.254   12.625  -1.7522   5.5717  -5.0862   7.9961   1.3943   7.7681   36.787   17.024   43.721   18.648 -6.933792 25.24946 
1 1 1  -32    1   47 o  114.306   10.480   37.910   6.4343   33.317   9.0698   42.564   9.1294  106.848   15.709  121.765   13.875 -14.91756 20.95904 
1 1 1  -32    1   48 o  109.346   10.142   34.611   5.9887   36.349   8.5955   32.971   8.3484  112.089   14.191  106.602   14.493 5.487106 20.28375 
1 1 1  -32    1   49 o   65.492   14.674   13.786   5.8781   15.658   8.1369   11.742   8.5010   69.611   20.349   61.373   21.147 8.238026 29.34721 
1 1 1  -32    1   50 o   32.337   11.050 -10.6298   5.8625 -12.0495   8.5131  -9.3492   8.0851   31.977   15.544   32.697   15.709 -0.7200794 22.09959 
1 1 1  -32    1   51 o   81.181   28.636   24.865   15.638   0.0000   0.0000   24.865   15.638  ?   ?    81.181   28.636      ?      ? 
1 1 1  -32    1   53 o   91.636   16.382   33.588   9.8102   13.405   14.498   50.631   13.323   61.317   25.782  121.955   20.217 -60.63759 32.76326 
1 1 1  -32    1   54 o   74.709   14.524   18.822   6.7586   8.2175   9.1568   31.514   10.017   53.005   21.172   96.413   19.888 -43.40849 29.04764 
1 1 1  -32    1   55 o   70.237   15.268   18.144   6.4419   14.645   8.8975   21.999   9.3391   63.101   21.640   77.373   21.543 -14.27165 30.53504 
1 1 1  -32    2    1 o  110.798   7.8964   33.293   4.7245   34.980   6.8067   31.724   6.5630  113.508   11.097  108.088   11.237 5.419861 15.79287 
1 1 1  -32    2    2 o   54.734   12.796   7.5871   4.5023   10.271   6.4195   4.9886   6.3161   60.885   18.148   48.583   18.046 12.30273 25.59251 
1 1 1  -32    2    3 o  319.403   7.5296  276.248   12.996   0.0000   0.0000  276.248   12.996  ?   ?   319.403   7.5296      ?      ? 
1 1 1  -32    2    4 o  247.319   5.2681  165.642   7.0352  157.343   9.8997  174.110   9.9995  241.049   7.6002  253.589   7.2972 -12.54024 10.53629 
1 1 1  -32    2    5 o  126.683   7.3986   43.608   5.0161   51.748   7.2282   36.047   6.9667  138.141   9.6832  115.224   11.189 22.91682 14.79727 
1 1 1  -32    2    6 o  358.765   5.6050  348.529   10.865  341.082   15.232  356.240   15.501  354.863   7.9435  362.667   7.9097 -7.803406 11.21000 
1 1 1  -32    2    7 o  239.054   5.3576  154.703   6.9196  151.716   9.6813  157.823   9.8938  236.696   7.5693  241.412   7.5843 -4.715912 10.71521 
1 1 1  -32    2    8 o  311.499   5.3974  262.742   9.0826  264.330   13.013  261.233   12.683  312.409   7.7083  310.588   7.5570 1.820923 10.79473 
1 1 1  -32    2    9 o  399.785   5.8987  432.963   12.741  424.074   17.877  442.139   18.164  395.613   8.3625  403.957   8.3214 -8.343933 11.79732 
1 1 1  -32    2   10 o   54.889   13.340   7.3099   4.8441   9.7381   7.0401   5.1267   6.6755   60.163   19.197   49.615   18.528 10.54734 26.67968 
1 1 1  -32    2   11 o   99.186   10.253   28.175   5.0785   18.154   7.2042   38.074   7.1601   79.977   17.182  118.396   11.192 -38.41941 20.50569 
1 1 1  -32    2   12 o  410.545   6.0064  456.754   13.324  460.370   19.006  453.260   18.683  412.136   8.5343  408.953   8.4543 3.183167 12.01289 
1 1 1  -32    2   13 o  124.404   8.2535   42.599   5.4745   35.847   7.9198   48.777   7.5759  114.771   12.770  134.038   10.460 -19.26678 16.50705 
1 1 1  -32    2   14 o   76.595   12.482   16.697   5.0841   13.814   7.1085   19.716   7.2743   69.735   18.543   83.454   16.713 -13.71935 24.96384 
1 1 1  -32    2   15 o  194.967   7.1135  103.978   7.1955  106.104   9.0465  100.315   11.872  197.836   8.4623  192.097   11.437 5.739212 14.22703 
1 1 1  -32    2   16 o  223.442   6.9852  135.740   8.0110  136.189   9.8991  134.887   13.637  224.147   8.1729  222.738   11.330 1.408920 13.97033 
1 1 1  -32    2   17 o  188.819   7.2637   95.407   6.9940  101.194   12.254   92.611   8.5176  192.844   11.759  184.795   8.5298 8.049103 14.52731 
1 1 1  -32    2   18 o  238.564   7.8509  154.289   10.121   0.0000   0.0000  154.289   10.121  ?   ?   238.564   7.8509      ?      ? 
1 1 1  -32    2   19 o  140.342   9.2560   49.546   6.5479   65.743   12.199   42.991   7.7605  155.024   14.563  125.660   11.429 29.36430 18.51204 
1 1 1  -32    2   20 o  340.046   7.0220  313.329   12.147  311.354   14.838  317.342   21.153  338.773   8.1053  341.318   11.469 -2.544586 14.04391 
1 1 1  -32    2   21 o  285.299   6.8323  220.736   9.9800  219.681   12.275  222.793   17.141  284.565   7.9827  286.032   11.090 -1.467529 13.66453 
1 1 1  -32    2   22 o  102.285   12.273   28.466   6.3280   26.668   7.7795   31.982   10.879   98.678   14.590  105.891   19.739 -7.212807 24.54546 
1 1 1  -32    2   23 o  158.303   9.7730   68.642   8.3463   70.360   11.571   66.779   12.050  160.436   13.347  156.169   14.280 4.267014 19.54608 
1 1 1  -32    2   25 o  276.937   11.245  209.212   16.827   0.0000   0.0000  209.212   16.827  ?   ?   276.937   11.245      ?      ? 
1 1 1  -32    2   26 o  129.896   15.763   46.532   11.064   0.0000   0.0000   46.532   11.064  ?   ?   129.896   15.763      ?      ? 
1 1 1  -32    2   27 o  211.847   5.9309  122.067   6.7858  117.553   9.5998  126.575   9.5935  207.906   8.5449  215.788   8.2274 -7.881516 11.86186 
1 1 1  -32    2   28 o  101.653   9.9384   28.507   5.4333   25.254   7.6558   31.807   7.7120   95.695   14.805  107.612   13.262 -11.91696 19.87681 
1 1 1  -32    2   29 f  282.150   5.5817  216.208   8.5045  227.436   12.215  205.644   11.848  289.270   7.8144  275.029   7.9722 14.24081 11.16338 
1 1 1  -32    2   30 o  261.815   5.7144  186.206   8.0770  175.357   11.220  197.874   11.636  253.890   8.1784  269.741   7.9833 -15.85133 11.42887 
1 1 1  -32    2   31 o   87.024   11.583   21.704   5.2462   21.021   7.4165   22.388   7.4221   85.550   16.642   88.497   16.114 -2.947144 23.16524 
1 1 1  -32    2   32 o  110.011   9.1846   33.413   5.4522   31.507   7.7286   35.302   7.6928  106.814   13.390  113.209   12.575 -6.395531 18.36928 
1 1 1  -32    2   33 o  310.772   5.6456  263.074   9.4776  259.868   13.205  266.480   13.611  308.844   7.9125  312.701   8.0551 -3.856934 11.29127 
1 1 1  -32    2   34 o   55.535   12.798   6.7909   5.1571   14.881   7.2512  -1.4894   7.3360   71.203   18.631   39.866   17.551 31.33696 25.59558 
1 1 1  -32    2   35 o   89.776   11.309   22.841   5.3570   25.639   7.8176   20.365   7.3555   95.818   15.099   83.735   16.840 12.08389 22.61743 
1 1 1  -32    2   36 o   92.477   11.158   25.456   5.2256   18.247   7.8031   31.318   7.0365   78.554   18.660  106.399   12.239 -27.84485 22.31499 
1 1 1  -32    2   37 o   32.218   10.747  -7.3298   4.8842  -5.4614   7.0230  -9.0800   6.7971   34.208   15.874   30.229   14.491 3.979156 21.49361 
1 1 1  -32    2   38 o  100.525   10.593   28.862   5.5526   23.778   7.7540   34.214   7.9550   90.330   16.493  110.720   13.296 -20.39030 21.18551 
1 1 1  -32    2   39 o  207.767   6.1218  116.844   6.8281  133.489   10.383  104.162   9.0635  220.617   8.7097  194.917   8.6052 25.70045 12.24368 
1 1 1  -32    2   40 o  166.741   7.0719   76.812   6.3435   76.185   9.4009   77.336   8.5952  165.939   10.484  167.542   9.4939 -1.602890 14.14389 
1 1 1  -32    2   41 o  240.748   5.9824  158.923   7.7778  153.277   10.776  165.064   11.237  236.298   8.4395  245.197   8.4811 -8.898468 11.96471 
1 1 1  -32    2   42 o   56.198   13.232   7.4505   5.3595  -0.1497   7.5067   15.352   7.6543   41.405   18.000   70.992   19.400 -29.58725 26.46447 
1 1 1  -32    2   43 o   69.426   13.540   14.264   5.5020   8.4149   7.4944   21.102   8.1032   55.496   19.797   83.355   18.476 -27.85874 27.07920 
1 1 1  -32    2   44 o  121.210   9.4582   41.980   6.1231   48.652   8.6203   35.187   8.6989  131.516   12.130  110.904   14.515 20.61144 18.91648 
1 1 1  -32    2   45 o  144.274   7.8523   58.277   6.1193   59.233   8.8028   57.384   8.5124  145.371   11.206  143.176   11.003 2.195114 15.70458 
1 1 1  -32    2   46 o  129.517   8.7457   47.428   6.1108   46.522   8.8418   48.256   8.4552  128.147   12.769  130.888   11.955 -2.740784 17.49149 
1 1 1  -32    2   47 o  199.157   6.7503  110.394   7.2640  112.117   10.285  108.679   10.261  200.747   9.4812  197.566   9.6112 3.180832 13.50069 
1 1 1  -32    2   48 o   61.091   14.817   11.385   5.8806   10.882   7.9585   11.989   8.7273   59.836   20.467   62.346   21.430 -2.509983 29.63330 
1 1 1  -32    2   49 o   62.442   14.587   12.026   5.9996   17.032   8.4785   7.0040   8.4911   72.230   20.673   52.654   20.586 19.57631 29.17487 
1 1 1  -32    2   50 o   65.747   14.156   13.821   6.0530   5.9360   8.6463   21.398   8.4766   50.558   20.439   80.937   19.592 -30.37970 28.31202 
1 1 1  -32    2   51 o   68.661   27.138   15.288   14.899   0.0000   0.0000   15.288   14.899  ?   ?    68.661   27.138      ?      ? 
1 1 1  -32    2   53 o   54.281   16.610   7.8338   8.9716   6.6194   12.929   8.9617   12.460   53.238   23.371   55.324   23.607 -2.086418 33.21931 
1 1 1  -32    2   54 o   87.909   13.317   26.060   6.5179   13.569   9.0288   39.655   9.4190   62.182   21.772  113.636   15.339 -51.45374 26.63312 
1 1 1  -32    2   55 o   38.458   12.686  -4.5575   6.5369   0.5523   9.5423  -9.0760   8.9732   42.981   19.389   33.934   16.365 9.046223 25.37270 
1 1 1  -32    3    1 o  124.660   7.2924   42.141   4.9086   42.879   7.1043   41.466   6.7900  125.696   10.460  123.624   10.164 2.071968 14.58474 
1 1 1  -32    3    2 o   47.493   12.060   3.5769   4.4945  -2.9687   6.4967   9.5852   6.2243   35.966   16.131   59.020   17.933 -23.05410 24.12034 
1 1 1  -32    3    3 o  239.012   5.2711  154.884   6.7975  150.457   9.7998  158.989   9.4366  235.699   7.6943  242.326   7.2066 -6.626526 10.54219 
1 1 1  -32    3    4 o   54.151   13.002   7.1420   4.6223   9.9128   6.7422   4.6846   6.3494   60.283   18.727   48.018   18.042 12.26531 26.00401 
1 1 1  -32    3    5 o  127.363   7.4511   43.793   5.1065   49.880   7.5002   38.532   6.9720  135.587   10.237  119.139   10.830 16.44719 14.90222 
1 1 1  -32    3    6 o  135.146   7.2316   49.827   5.2218   40.933   7.3288   58.998   7.4420  122.781   11.046  147.510   9.3364 -24.72875 14.46328 
1 1 1  -32    3    7 o  270.106   5.3052  197.587   7.7427  195.938   10.983  199.216   10.917  268.981   7.5564  271.231   7.4486 -2.249573 10.61043 
1 1 1  -32    3    8 o  338.763   5.5233  310.848   10.107  299.671   14.230  322.228   14.358  332.606   7.9173  344.921   7.7034 -12.31485 11.04654 
1 1 1  -32    3    9 o  384.379   5.8226  400.348   12.093  393.637   17.098  407.064   17.105  381.147   8.3017  387.611   8.1665 -6.464020 11.64517 
1 1 1  -32    3   10 o  353.669   5.6238  338.559   10.736  345.037   15.609  332.741   14.791  356.860   8.0943  350.477   7.8098 6.382446 11.24769 
1 1 1  -32    3   11 o  210.474   5.7459  120.135   6.5272  113.549   9.2406  126.694   9.2210  204.694   8.3543  216.253   7.8909 -11.55962 11.49175 
1 1 1  -32    3   12 o  540.386   7.1680  792.560   20.930  794.107   29.762  791.046   29.440  540.896   10.183  539.875   10.091 1.021240 14.33603 
1 1 1  -32    3   13 o  343.863   5.6452  320.369   10.483  321.170   15.103  319.625   14.562  344.261   8.1187  343.466   7.8459 0.7948608 11.29030 
1 1 1  -32    3   14 o  391.944   7.2303  419.533   14.649  425.694   18.305  408.559   24.430  396.258   8.5487  387.631   11.663 8.626343 14.46051 
1 1 1  -32    3   15 o  217.760   6.7631  129.512   7.6798  131.938   9.7171  125.473   12.535  220.627   8.1507  214.893   10.795 5.733795 13.52629 
1 1 1  -32    3   16 o  157.133   8.0205   68.953   6.4021   61.554   10.798   72.964   7.9504  150.267   13.298  163.999   8.9714 -13.73225 16.04092 
1 1 1  -32    3   17 o   94.703   12.229   25.691   5.7687   23.108   9.7400   27.087   7.1594   89.748   20.529   99.657   13.295 -9.908844 24.45815 
1 1 1  -32    3   18 o  285.327   5.5253  220.670   8.5126  222.156   12.295  219.301   11.797  286.232   7.9494  284.421   7.6760 1.810394 11.05051 
1 1 1  -32    3   19 o  128.217   12.199   53.251   6.8032   30.811   12.075   63.688   8.2347  103.365   22.275  153.070   9.9557 -49.70503 24.39815 
1 1 1  -32    3   20 o  375.681   7.3478  386.622   13.987  376.126   24.295  391.825   17.106  371.383   12.106  379.979   8.3309 -8.596405 14.69562 
1 1 1  -32    3   21 f   89.527   14.075   24.556   6.3712   27.982   7.6783   16.984   11.415  101.130   14.051   77.925   24.394 23.20518 28.15077 
1 1 1  -32    3   22 o  116.186   16.256   37.095   10.206   37.095   10.206   0.0000   0.0000  116.186   16.256  ?   ?       ?      ? 
1 1 1  -32    3   23 o  218.372   8.3136  130.020   9.8090  128.671   13.746  131.419   14.001  217.226   11.711  219.517   11.804 -2.291153 16.62726 
1 1 1  -32    3   24 o  282.838   11.386  218.176   17.402   0.0000   0.0000  218.176   17.402  ?   ?   282.838   11.386      ?      ? 
1 1 1  -32    3   25 o  155.111   10.437   67.415   8.5690   56.532   12.735   76.419   11.584  143.125   16.466  167.097   12.829 -23.97130 20.87368 
1 1 1  -32    3   26 o   74.090   14.987   16.091   6.2669   17.805   7.8836   13.149   10.329   78.475   18.831   69.705   23.320 8.770302 29.97397 
1 1 1  -32    3   27 o  210.199   6.0446  120.280   6.8586  117.342   9.8495  123.045   9.5561  207.667   8.7772  212.730   8.3131 -5.062851 12.08916 
1 1 1  -32    3   28 o  145.165   7.6760   58.191   5.9487   49.031   8.5489   66.790   8.2830  133.820   11.822  156.511   9.7939 -22.69058 15.35205 
1 1 1  -32    3   29 o  273.320   5.6598  202.991   8.3516  206.173   12.107  200.101   11.536  275.334   8.1373  271.307   7.8687 4.026886 11.31952 
1 1 1  -32    3   30 o  337.384   5.7071  309.605   10.404  305.693   14.618  313.621   14.811  335.225   8.0700  339.543   8.0722 -4.318695 11.41427 
1 1 1  -32    3   31 o  120.722   8.4847   40.055   5.5302   41.351   7.7555   38.714   7.8880  122.760   11.691  118.684   12.299 4.075905 16.96941 
1 1 1  -32    3   32 o  200.395   6.1056  109.408   6.6006  107.553   9.0459  111.520   9.6529  198.625   8.4281  202.164   8.8362 -3.539459 12.21113 
1 1 1  -32    3   33 o   92.243   11.249   25.051   5.2403   14.055   7.3295   36.550   7.4951   69.304   19.003  115.182   12.042 -45.87851 22.49729 
1 1 1  -32    3   34 o   68.496   12.920   13.619   4.9499   17.250   7.1421   10.264   6.8663   76.807   17.587   60.185   18.931 16.62193 25.84006 
1 1 1  -32    3   35 o   92.585   10.734   24.345   5.1774   29.520   7.4708   19.562   7.1818  103.146   13.404   82.024   16.769 21.12258 21.46782 
1 1 1  -32    3   36 o  136.426   7.6090   51.416   5.5792   49.303   8.2239   53.217   7.5941  133.668   11.386  139.184   10.097 -5.515182 15.21802 
1 1 1  -32    3   37 o   44.110   12.913   1.5295   5.1132   4.6912   7.4811  -1.2423   7.0046   49.234   19.303   38.986   17.157 10.24833 25.82516 
1 1 1  -32    3   38 o  259.083   5.7659  183.621   8.0714  184.360   11.505  182.904   11.326  259.578   8.2024  258.589   8.1056 0.9890137 11.53172 
1 1 1  -32    3   39 o  126.218   8.6414   44.352   5.8882   41.875   8.2649   46.906   8.3909  122.558   12.480  129.877   11.956 -7.319160 17.28272 
1 1 1  -32    3   40 o  150.182   7.3218   62.286   5.9256   63.663   8.7470   61.118   8.0557  151.604   10.677  148.760   10.021 2.843323 14.64356 
1 1 1  -32    3   41 o   67.320   13.934   13.449   5.4686   17.054   7.9939   10.278   7.4976   74.890   19.545   59.750   19.865 15.13963 27.86812 
1 1 1  -32    3   42 o  156.251   7.5284   68.302   6.2739   80.773   8.8855   55.903   8.8597  170.973   9.6176  141.529   11.585 29.44423 15.05676 
1 1 1  -32    3   43 o   90.162   12.447   25.546   5.8641   35.911   8.0822   14.024   8.5213  112.693   13.272   67.631   21.060 45.06207 24.89337 
1 1 1  -32    3   44 o  194.754   6.5759  104.869   6.9155  101.765   9.5619  108.272   10.014  191.772   9.2272  197.735   9.3716 -5.962891 13.15179 
1 1 1  -32    3   45 o  120.615   9.0668   41.296   5.8949   44.442   8.3325   38.143   8.3408  125.450   12.292  115.779   13.332 9.670921 18.13350 
1 1 1  -32    3   46 o  133.701   8.5210   50.254   6.1396   55.652   8.9250   45.405   8.4592  140.636   11.744  126.766   12.349 13.87051 17.04193 
1 1 1  -32    3   47 o   45.317   13.383   1.4865   5.8229   6.8225   7.9833  -4.5795   8.5119   52.274   20.091   38.360   17.685 13.91466 26.76635 
1 1 1  -32    3   48 o   88.547   13.005   24.285   6.0094   23.390   8.2191   25.313   8.8087   86.936   18.085   90.157   18.694 -3.220795 26.01046 
1 1 1  -32    3   49 o   55.367   14.917   8.5100   6.1963   9.8356   8.9578   7.2937   8.5802   57.700   21.479   53.033   20.705 4.666256 29.83362 
1 1 1  -32    3   50 o   74.564   14.704   18.743   6.6044   26.235   9.1579   10.624   9.5336   90.133   19.379   58.996   22.120 31.13699 29.40791 
1 1 1  -32    3   53 o   91.329   16.702   30.530   8.0161   26.328   9.9176   38.446   13.614   84.782   21.590   97.877   25.489 -13.09411 33.40340 
1 1 1  -32    3   54 o   48.543   14.309   5.0052   6.3407   7.8852   8.8257   1.9329   9.1155   52.384   20.829   44.702   19.624 7.682411 28.61743 
1 1 1  -32    3   55 o  131.427   10.229   53.288   7.1558   42.682   9.8012   65.395   10.472  116.062   15.628  146.791   13.202 -30.72894 20.45760 
1 1 1  -32    4    1 o  195.627   5.4634  103.790   5.7679   99.989   8.2665  107.396   8.0518  192.117   7.9629  199.137   7.4826 -7.019791 10.92688 
1 1 1  -32    4    2 o   94.842   8.9392   24.257   4.5547   28.259   6.7689   20.945   6.1571  101.947   12.287   87.737   12.987 14.21070 17.87842 
1 1 1  -32    4    3 f   58.162   12.787   9.0483   4.5370   11.790   6.4664   6.3898   6.3672   64.654   17.899   51.670   18.268 12.98399 25.57492 
1 1 1  -32    4    4 o  197.499   5.6909  106.047   6.0517   98.222   8.6971  113.392   8.4261  190.383   8.4540  204.614   7.6209 -14.23169 11.38186 
1 1 1  -32    4    5 o  252.686   5.3079  172.958   7.2421  171.876   10.428  173.965   10.065  251.910   7.6609  253.461   7.3489 -1.551132 10.61577 
1 1 1  -32    4    6 o   56.027   12.316   7.4098   4.6816   14.214   6.6141   0.5775   6.6276   70.700   17.425   41.353   17.412 29.34659 24.63295 
1 1 1  -32    4    7 o  222.462   5.4460  133.926   6.5360  136.101   9.5518  132.010   8.9628  224.145   7.8862  220.778   7.5128 3.367661 10.89192 
1 1 1  -32    4    8 o  199.496   5.7191  108.229   6.1422  100.543   8.8506  115.371   8.5311  192.608   8.5037  206.384   7.6497 -13.77553 11.43811 
1 1 1  -32    4    9 o  160.286   6.3949   69.576   5.5351   71.982   8.0096   67.377   7.6579  162.931   9.0974  157.640   8.9899 5.290970 12.78985 
1 1 1  -32    4   10 o  245.600   5.4192  163.190   7.1811  166.928   10.494  159.898   9.8478  248.228   7.8237  242.971   7.5006 5.256546 10.83833 
1 1 1  -32    4   11 o  100.535   9.2534   27.555   5.0137   25.175   7.0690   29.964   7.1122   96.130   13.608  104.939   12.542 -8.809441 18.50676 
1 1 1  -32    4   12 o  240.357   5.5217  156.440   7.1667  158.749   10.359  154.320   9.9254  242.048   7.9202  238.666   7.6960 3.381485 11.04346 
1 1 1  -32    4   13 o  302.131   6.5588  250.678   10.353  260.439   13.209  235.135   16.668  310.019   7.8850  294.244   10.483 15.77533 13.11764 
1 1 1  -32    4   14 o   50.413   14.256   3.7035   5.7533   4.7530   7.1652   1.7991   9.6522   49.883   19.067   50.943   21.199 -1.059952 28.51249 
1 1 1  -32    4   15 o  337.583   6.8938  308.571   11.762  311.712   20.734  307.081   14.282  338.562   11.333  336.604   7.8523 1.957611 13.78762 
1 1 1  -32    4   16 o  297.185   6.7538  239.993   10.141  239.189   17.827  240.378   12.330  296.560   11.124  297.810   7.6619 -1.249969 13.50751 
1 1 1  -32    4   17 o  224.996   5.7345  137.106   6.9566  139.873   10.225  134.722   9.4917  227.083   8.3331  222.909   7.8801 4.174515 11.46891 
1 1 1  -32    4   18 o  244.427   5.6501  162.196   7.4556  156.411   10.641  167.774   10.449  240.117   8.2011  248.737   7.7740 -8.619736 11.30021 
1 1 1  -32    4   19 o  161.291   6.8311   70.606   5.9495   73.377   8.6128   68.077   8.2282  164.310   9.7005  158.273   9.6208 6.037476 13.66227 
1 1 1  -32    4   20 o   73.321   14.276   17.033   6.0703   5.3041   11.645   21.409   7.1131   59.586   23.849   87.056   15.698 -27.46995 28.55175 
1 1 1  -32    4   21 o  138.058   12.599   49.282   8.6296   81.081   14.286   31.014   10.828  171.932   15.377  104.183   19.961 67.74902 25.19711 
1 1 1  -32    4   22 f   64.678   23.014   10.266   10.122   10.266   10.122   0.0000   0.0000   64.678   23.014  ?   ?       ?      ? 
1 1 1  -32    4   23 o  500.414   13.911  685.811   37.617  685.811   37.617   0.0000   0.0000  500.414   13.911  ?   ?       ?      ? 
1 1 1  -32    4   24 o  260.960   8.4554  186.489   11.890  176.284   17.134  195.969   16.514  253.928   12.487  267.992   11.403 -14.06389 16.91074 
1 1 1  -32    4   25 o  203.561   8.9877  113.487   9.8622  113.018   14.441  113.896   13.501  203.071   13.160  204.052   12.244 -0.9817963 17.97536 
1 1 1  -32    4   26 o  404.087   7.4884  447.397   15.610  451.793   19.438  439.414   26.195  407.506   8.8272  400.669   12.099 6.836670 14.97679 
1 1 1  -32    4   27 o  265.885   5.7837  192.028   8.3035  196.622   12.026  187.842   11.479  268.902   8.2762  262.868   8.0813 6.033508 11.56732 
1 1 1  -32    4   28 o  145.208   7.4918   57.314   5.8642   62.110   8.6559   53.246   7.9725  150.792   10.623  139.625   10.567 11.16693 14.98353 
1 1 1  -32    4   29 o  153.399   7.2009   63.577   5.9158   76.849   8.8297   52.767   7.9688  167.843   9.7355  138.955   10.613 28.88834 14.40179 
1 1 1  -32    4   30 o   50.176   13.361   5.0077   5.0221   7.8348   7.2679   2.4241   6.9477   55.595   19.530   44.757   18.238 10.83802 26.72159 
1 1 1  -32    4   31 o  117.080   8.5840   37.591   5.4081   42.616   7.8534   33.059   7.4582  124.580   11.666  109.580   12.596 14.99995 17.16804 
1 1 1  -32    4   32 o  167.428   6.8298   77.436   6.0993   64.006   8.6969   90.436   8.5561  152.805   10.533  182.051   8.6975 -29.24568 13.65959 
1 1 1  -32    4   33 o   48.686   11.346   0.1578   4.9273 -13.9950   6.9663   14.326   6.9702   27.428   13.485   69.944   18.249 -42.51582 22.69104 
1 1 1  -32    4   34 o   68.619   11.819   12.941   5.0057   22.894   7.2012   3.6345   6.9632   90.644   14.702   46.594   18.509 44.04974 23.63773 
1 1 1  -32    4   35 o  161.848   9.5417   71.770   8.3448   71.770   8.3448   0.0000   0.0000  161.848   9.5417  ?   ?       ?      ? 
1 1 1  -32    4   36 o  156.501   6.8066   67.289   5.7474   65.874   8.3068   68.589   7.9604  154.844   9.9277  158.159   9.3144 -3.315155 13.61317 
1 1 1  -32    4   37 o  122.278   8.5473   41.731   5.6099   37.157   8.0553   46.039   7.8173  115.508   12.906  129.048   11.210 -13.53940 17.09458 
1 1 1  -32    4   38 o  217.825   5.9185  129.807   6.9580  132.214   10.128  127.656   9.5753  219.679   8.5322  215.971   8.2048 3.707245 11.83709 
1 1 1  -32    4   39 o  170.750   6.6197   80.213   6.1059   83.091   8.7076   77.429   8.5643  173.792   9.2722  167.708   9.4504 6.084183 13.23945 
1 1 1  -32    4   40 o   82.652   12.305   21.282   5.4832   29.709   7.4577   11.366   8.0895  102.819   13.423   62.486   20.627 40.33292 24.61012 
1 1 1  -32    4   41 o  142.486   8.0936   56.442   6.2235   52.557   8.6501   60.612   8.9608  137.331   11.656  147.641   11.232 -10.31042 16.18725 
1 1 1  -32    4   42 o  134.594   8.5631   51.216   6.1479   59.600   8.6265   42.563   8.7639  146.345   10.909  122.844   13.202 23.50100 17.12611 
1 1 1  -32    4   43 o  102.770   10.981   30.808   5.8408   24.079   8.1019   38.089   8.4280   89.607   17.359  115.933   13.453 -26.32690 21.96222 
1 1 1  -32    4   44 o   56.842   13.997   8.7424   5.4074   12.804   7.9636   5.2675   7.3659   64.628   20.396   49.056   19.175 15.57163 27.99421 
1 1 1  -32    4   45 o   94.829   11.936   27.091   5.8841   23.277   8.6939   30.315   7.9931   86.863   19.047  102.795   14.390 -15.93185 23.87157 
1 1 1  -32    4   46 o   99.341   11.707   29.106   6.0348   36.973   8.8773   22.347   8.2286  113.381   14.489   85.301   18.393 28.08052 23.41480 
1 1 1  -32    4   47 o   71.693   14.370   16.369   5.9612   12.177   8.4138   20.594   8.4473   62.685   21.046   80.702   19.572 -18.01652 28.74058 
1 1 1  -32    4   48 o  132.180   9.1108   49.951   6.4625   57.877   9.3440   42.683   8.9475  142.647   12.122  121.712   13.604 20.93534 18.22162 
1 1 1  -32    4   49 o   46.459   13.876   3.0162   6.0636   0.2313   9.0293   5.3038   8.1835   43.832   19.375   49.086   19.870 -5.253792 27.75246 
1 1 1  -32    4   50 f   36.320   12.538 -17.5259   7.2128 -24.7996   8.9567  -4.1059   12.166   26.946   13.561   45.695   21.094 -18.74915 25.07683 
1 1 1  -32    4   53 o   61.877   14.667   11.931   6.7599   1.1710   9.2853   24.066   9.8604   43.307   19.364   80.447   22.034 -37.14071 29.33333 
1 1 1  -32    4   54 o   45.445   13.784   0.5767   6.5949  -7.9778   9.2541   9.4044   9.4007   35.830   17.104   55.060   21.622 -19.23014 27.56891 
1 1 1  -32    4   55 o  105.644   12.826   37.674   7.1337   35.402   10.231   39.823   9.9517  100.612   19.523  110.676   16.640 -10.06467 25.65239 
1 1 1  -32    5    1 o  163.517   6.1029   71.845   5.3688   80.307   8.0453   65.052   7.2086  172.120   8.6502  154.914   8.6114 17.20634 12.20577 
1 1 1  -32    5    2 o  194.394   5.7093  101.909   5.9748  107.756   8.9276   97.165   8.0410  199.406   8.2853  189.382   7.8575 10.02443 11.41870 
1 1 1  -32    5    3 o  322.972   5.4897  282.755   9.5718  277.680   13.763  287.510   13.321  320.142   7.9560  325.803   7.5663 -5.660492 10.97934 
1 1 1  -32    5    4 o  171.302   6.1240   79.550   5.6414   79.482   8.3988   79.605   7.6149  171.208   9.0783  171.396   8.2220 -0.1880341 12.24809 
1 1 1  -32    5    5 o  183.919   5.9982   91.688   5.9475   91.569   8.7076   91.792   8.1429  183.788   8.7679  184.050   8.1875 -0.2623291 11.99630 
1 1 1  -32    5    6 o  145.802   6.8589   57.237   5.3834   63.657   8.0257   51.985   7.2584  153.179   9.6961  138.425   9.7038 14.75377 13.71777 
1 1 1  -32    5    7 o  175.405   6.0402   82.732   5.7022   92.467   8.5080   74.793   7.6833  184.700   8.5246  166.111   8.5597 18.58904 12.08048 
1 1 1  -32    5    8 o  232.220   5.5864  146.352   6.9970  140.819   10.083  151.490   9.7175  227.956   8.1856  236.484   7.6044 -8.527603 11.17280 
1 1 1  -32    5    9 o  217.643   5.7083  128.202   6.7086  132.619   9.7116  124.170   9.2781  221.220   8.1241  214.065   8.0209 7.154739 11.41653 
1 1 1  -32    5   10 o  195.357   5.9317  103.375   6.2517  104.712   9.1288  102.194   8.5792  196.530   8.5960  194.184   8.1761 2.345993 11.86340 
1 1 1  -32    5   11 o   74.968   12.443   16.143   4.9876   12.999   7.1788   19.077   6.9346   67.803   18.891   82.133   16.200 -14.32977 24.88579 
1 1 1  -32    5   12 o  148.859   7.2217   59.845   5.7931   65.144   8.5746   55.396   7.8577  154.886   10.245  142.832   10.181 12.05431 14.44332 
1 1 1  -32    5   13 o  184.827   7.3165   93.435   7.0507   95.340   8.9238   90.270   11.502  187.487   8.8083  182.168   11.685 5.319275 14.63305 
1 1 1  -32    5   14 o  156.754   6.8838   66.026   5.7882   78.437   8.6442   55.938   7.7933  169.996   9.4102  143.512   10.050 26.48341 13.76753 
1 1 1  -32    5   15 o   51.065   14.262   4.2611   5.5042   3.5383   9.8947   4.5849   6.6235   53.808   21.825   48.322   18.365 5.486324 28.52389 
1 1 1  -32    5   16 o  299.624   5.6175  243.535   9.0856  241.091   13.115  245.789   12.598  298.151   8.1404  301.097   7.7433 -2.945435 11.23496 
1 1 1  -32    5   17 o  118.399   8.9259   38.824   5.6203   33.570   8.3329   43.209   7.6125  110.816   13.916  125.983   11.182 -15.16700 17.85184 
1 1 1  -32    5   18 o  284.216   5.5848  219.330   8.5601  215.326   12.440  222.930   11.797  281.711   8.1723  286.721   7.6142 -5.010315 11.16968 
1 1 1  -32    5   19 o  183.356   6.3839   91.140   6.3105   93.676   9.2960   88.972   8.5940  185.692   9.2644  181.020   8.7858 4.672287 12.76789 
1 1 1  -32    5   20 o  112.622   10.721   33.918   6.4392   29.435   8.3328   40.563   10.145  103.643   14.879  121.602   15.439 -17.95902 21.44173 
1 1 1  -32    5   21 o  165.825   12.749   75.090   11.424   0.0000   0.0000   75.090   11.424  ?   ?   165.825   12.749      ?      ? 
1 1 1  -32    5   22 o  144.517   10.690   56.753   8.2307   71.509   12.271   44.685   11.097  161.579   14.054  127.456   16.112 34.12315 21.38069 
1 1 1  -32    5   23 o   42.132   13.728  -7.7954   7.2208 -10.1306   9.7719  -4.9865   10.717   38.669   18.196   45.595   20.560 -6.926529 27.45571 
1 1 1  -32    5   24 o   72.816   16.894   14.475   7.8356   10.243   11.481   18.164   10.721   66.192   24.378   79.439   23.396 -13.24719 33.78889 
1 1 1  -32    5   25 o  221.015   8.7360  133.080   10.377  139.932   15.650  127.703   13.863  225.956   12.818  216.074   11.873 9.881836 17.47205 
1 1 1  -32    5   26 f   55.846   14.892   4.7253   6.3395  -0.3103   8.1954   12.227   10.003   44.094   18.988   67.597   22.947 -23.50245 29.78436 
1 1 1  -32    5   27 o   83.829   12.181   20.189   5.3245   20.276   7.7811   20.113   7.3018   83.886   17.721   83.773   16.716 0.1131134 24.36102 
1 1 1  -32    5   28 o   65.169   13.589   12.150   5.3682   6.9219   8.0060   16.422   7.2359   55.044   20.342   75.295   18.024 -20.25037 27.17864 
1 1 1  -32    5   29 o  143.985   7.4922   56.271   5.8077   61.748   8.6742   51.822   7.8189  150.275   10.682  137.694   10.509 12.58185 14.98445 
1 1 1  -32    5   30 o  134.110   8.1072   49.797   5.8079   41.986   8.3172   57.231   8.1139  123.567   12.456  144.653   10.380 -21.08589 16.21441 
1 1 1  -32    5   31 o  100.542   10.346   28.708   5.3792   34.739   7.6069   22.674   7.6079  112.277   12.538   88.807   16.460 23.46971 20.69107 
1 1 1  -32    5   32 o   39.647   12.329  -1.7132   5.1330   0.2902   7.4594  -3.5152   7.0743   42.628   18.230   36.666   16.604 5.961288 24.65755 
1 1 1  -32    5   33 o   45.546   12.924   2.0187   5.0145   6.6368   7.5199  -1.6790   6.7289   53.258   19.709   37.834   16.724 15.42454 25.84827 
1 1 1  -32    5   34 o   68.288   13.004   13.709   5.0639   17.971   7.0743   9.2309   7.2518   78.449   17.165   58.126   19.539 20.32354 26.00810 
1 1 1  -32    5   35 o  108.237   9.1636   32.431   5.3519   34.108   7.8292   30.959   7.3325  110.832   13.073  105.642   12.845 5.190308 18.32719 
1 1 1  -32    5   36 o  280.536   5.6694  214.455   8.5718  223.431   12.680  206.901   11.632  285.849   8.2093  275.223   7.8214 10.62585 11.33872 
1 1 1  -32    5   37 o   74.463   13.401   16.133   5.3908   20.259   8.3219   13.149   7.0761   82.344   19.077   66.582   18.828 15.76250 26.80289 
1 1 1  -32    5   38 o   71.092   13.137   15.144   5.1929   11.469   7.3641   18.779   7.3238   62.603   19.592   79.582   17.506 -16.97941 26.27360 
1 1 1  -32    5   39 o   47.221   13.207   3.1124   5.3303   7.9664   7.3773  -2.1892   7.7100   54.891   19.636   39.552   17.668 15.33860 26.41409 
1 1 1  -32    5   40 o   90.227   11.451   23.585   5.4437   20.632   7.5464   26.789   7.8603   83.294   17.331   97.159   14.972 -13.86523 22.90195 
1 1 1  -32    5   41 o   79.619   13.007   19.145   5.5251   15.240   7.6973   23.295   7.9355   70.729   19.507   88.510   17.212 -17.78071 26.01483 
1 1 1  -32    5   42 o   47.186   13.597   3.5052   5.4579   4.6211   8.0058   2.5363   7.4602   49.384   19.771   44.988   18.672 4.395790 27.19479 
1 1 1  -32    5   43 o  121.056   9.2794   42.597   5.8650   31.678   8.5186   52.438   8.0870  105.048   15.007  137.065   10.919 -32.01764 18.55871 
1 1 1  -32    5   44 o   45.178   12.753   0.8490   5.4161  -7.9508   7.7619   9.1994   7.5611   33.590   15.928   56.767   19.922 -23.17709 25.50644 
1 1 1  -32    5   45 o  161.837   7.4628   72.958   6.5196   77.152   9.4625   69.168   8.9955  166.267   10.532  157.408   10.576 8.859009 14.92551 
1 1 1  -32    5   46 o   51.417   13.493   4.6569   5.6287  -2.9283   7.7858   12.962   8.1468   38.266   17.364   64.567   20.656 -26.30032 26.98508 
1 1 1  -32    5   47 o  121.224   9.4616   42.323   6.1564   47.851   8.7349   36.866   8.6783  129.584   12.474  112.864   14.230 16.72018 18.92327 
1 1 1  -32    5   48 o   55.074   14.241   8.1323   5.8728   2.7317   8.6349   12.780   8.0109   46.658   19.772   63.489   20.501 -16.83091 28.48199 
1 1 1  -32    5   49 o   74.485   13.999   18.028   6.4635   29.332   9.2220   7.1132   9.0617   96.104   18.429   52.867   21.079 43.23713 27.99894 
1 1 1  -32    5   50 o   43.528   14.675 -10.9653   9.5520 -11.0743   13.119 -10.8423   13.935   42.733   20.389   44.323   21.111 -1.590313 29.34945 
1 1 1  -32    5   52 o   80.534   26.609   26.644   13.460   0.0000   0.0000   26.644   13.460  ?   ?    80.534   26.609      ?      ? 
1 1 1  -32    5   53 o   56.732   15.205   10.734   6.4164   11.542   9.1096   9.9375   9.0391   58.094   21.653   55.370   21.353 2.724331 30.41059 
1 1 1  -32    5   54 o   63.399   15.838   14.626   6.7509   13.334   9.1519   16.169   9.9987   61.042   21.866   65.757   22.918 -4.715370 31.67626 
1 1 1  -32    5   55 o   40.667   12.936  -2.5805   6.5995   6.6037   8.8558 -14.0507   9.8968   48.674   20.285   32.660   16.060 16.01411 25.87274 
1 1 1  -32    6    1 o  349.709   7.6835  331.335   14.519   0.0000   0.0000  331.335   14.519  ?   ?   349.709   7.6835      ?      ? 
1 1 1  -32    6    2 o  151.039   6.6049   61.932   5.3682   61.359   7.9437   62.414   7.2827  150.366   9.7766  151.712   8.8835 -1.345963 13.20979 
1 1 1  -32    6    3 o  195.237   5.7564  103.085   6.0489  105.661   9.0107  100.971   8.1612  197.430   8.4461  193.044   7.8236 4.386002 11.51284 
1 1 1  -32    6    4 f  284.081   5.4112  219.034   8.2848  212.155   12.047  225.207   11.412  279.810   7.9676  288.353   7.3240 -8.543732 10.82232 
1 1 1  -32    6    5 o  224.248   5.5873  136.568   6.7519  131.073   9.7942  141.546   9.3207  219.910   8.2421  228.585   7.5460 -8.674957 11.17466 
1 1 1  -32    6    6 o  190.906   5.9137   99.338   6.0614   92.637   8.8994  105.136   8.2784  184.826   8.9107  196.987   7.7772 -12.16116 11.82732 
1 1 1  -32    6    7 o  476.345   6.6166  615.565   17.022  615.812   24.472  615.333   23.693  476.406   9.5062  476.284   9.2060 0.1225891 13.23316 
1 1 1  -32    6    8 o  179.208   6.1126   86.771   5.9031   91.072   8.7475   83.174   7.9991  183.257   8.8335  175.159   8.4512 8.098190 12.22513 
1 1 1  -32    6    9 o  287.114   7.6777  223.355   11.912   0.0000   0.0000  223.355   11.912  ?   ?   287.114   7.6777      ?      ? 
1 1 1  -32    6   10 o  242.682   5.6153  159.788   7.3508  156.337   10.649  162.928   10.160  240.152   8.2058  245.213   7.6676 -5.061493 11.23059 
1 1 1  -32    6   11 o  262.117   5.6135  185.939   7.9325  190.159   11.676  182.320   10.810  264.852   8.1583  259.382   7.7129 5.470398 11.22703 
1 1 1  -32    6   12 o  208.461   6.9114  117.644   7.6145  116.339   9.7719  119.662   12.149  207.098   8.7320  209.825   10.715 -2.727356 13.82277 
1 1 1  -32    6   13 o   90.543   11.318   23.227   5.3227   19.901   7.9178   25.969   7.1896   83.536   18.066   97.551   13.639 -14.01468 22.63664 
1 1 1  -32    6   14 o   54.318   14.499   5.8782   5.4760   6.8626   9.8410   5.4366   6.5905   58.694   22.367   49.942   18.457 8.751812 28.99857 
1 1 1  -32    6   15 o  299.333   5.7186  243.746   9.2219  229.148   13.287  257.312   12.809  290.606   8.4615  308.060   7.6948 -17.45477 11.43712 
1 1 1  -32    6   16 o   41.748   12.614  -0.0059   5.0141  -0.3406   7.5596   0.2570   6.7001   42.554   18.279   40.941   17.387 1.613010 25.22716 
1 1 1  -32    6   17 o  141.632   7.5338   54.489   5.7375   55.595   8.5860   53.596   7.7124  142.883   11.120  140.380   10.167 2.502960 15.06752 
1 1 1  -32    6   18 o  144.494   7.6485   56.535   5.9544   60.808   8.8447   52.994   8.0524  149.447   10.952  139.542   10.679 9.905609 15.29700 
1 1 1  -32    6   19 o  300.995   10.814  246.622   17.589   0.0000   0.0000  246.622   17.589  ?   ?   300.995   10.814      ?      ? 
1 1 1  -32    6   20 o   85.450   15.444   21.026   7.1974   24.595   10.365   17.703   10.002   92.282   21.228   78.617   22.438 13.66558 30.88798 
1 1 1  -32    6   21 o   52.129   15.347   1.8664   7.2259  -0.8723   10.527   4.3063   9.9364   49.463   21.409   54.794   21.995 -5.330418 30.69391 
1 1 1  -32    6   22 o  256.754   7.8487  178.936   10.889   0.0000   0.0000  178.936   10.889  ?   ?   256.754   7.8487      ?      ? 
1 1 1  -32    6   23 o   35.210   11.667  -7.8916   5.5460  -6.0072   8.2754  -9.4281   7.4723   37.959   17.478   32.461   15.460 5.497898 23.33434 
1 1 1  -32    6   24 o  126.735   12.458   43.829   8.4359   54.212   12.800   35.856   11.217  139.912   16.930  113.557   18.279 26.35536 24.91515 
1 1 1  -32    6   25 o  119.383   13.771   41.733   8.3061   34.707   13.021   46.554   10.785  108.909   22.854  129.858   15.370 -20.94898 27.54187 
1 1 1  -32    6   26 o  172.140   7.0312   81.304   6.4986   72.580   9.3407   89.488   9.0472  163.026   10.603  181.255   9.2372 -18.22874 14.06246 
1 1 1  -32    6   27 o  163.979   6.9897   75.183   6.0291   58.107   8.7939   90.329   8.2819  145.752   11.166  182.207   8.4116 -36.45499 13.97946 
1 1 1  -32    6   28 o  146.712   7.5438   59.125   5.9508   54.583   8.6217   63.257   8.2237  141.201   11.300  152.223   9.9977 -11.02147 15.08765 
1 1 1  -32    6   29 o   81.507   12.451   19.326   5.3045   18.187   7.8952   20.263   7.1616   78.996   18.773   84.018   16.363 -5.022736 24.90279 
1 1 1  -32    6   30 o   35.592   11.485  -5.3027   5.0027  -0.9449   7.3119  -9.1378   6.8595   40.613   17.709   30.571   14.629 10.04228 22.96978 
1 1 1  -32    6   31 o   52.165   13.798   6.1044   5.2330   6.5195   7.6264   5.7351   7.1938   53.297   19.823   51.033   19.199 2.264229 27.59595 
1 1 1  -32    6   32 o  106.891   9.9716   32.191   5.3916   44.240   7.9259   21.813   7.3559  126.785   11.569   86.998   16.245 39.78719 19.94314 
1 1 1  -32    6   33 o  199.838   6.1887  108.671   6.6594  114.067   9.9266  104.256   8.9800  204.269   8.9931  195.407   8.5045 8.861816 12.37748 
1 1 1  -32    6   34 o   98.366   10.006   27.088   5.2854   23.967   7.5309   30.118   7.4198   92.558   15.057  104.175   13.181 -11.61738 20.01131 
1 1 1  -32    6   35 o  141.212   7.8613   54.662   5.9303   67.076   8.7565   44.144   8.0601  156.115   10.380  126.308   11.809 29.80695 15.72267 
1 1 1  -32    6   36 o  126.009   8.4544   44.504   5.6904   39.245   8.3450   49.074   7.7796  118.676   13.013  133.341   10.797 -14.66518 16.90886 
1 1 1  -32    6   37 o  182.272   6.4737   91.532   6.3456   87.272   9.3052   95.236   8.6757  178.127   9.6674  186.418   8.6125 -8.291107 12.94737 
1 1 1  -32    6   38 o   53.497   13.046   5.4227   5.2230   14.261   7.7649  -1.8800   7.0584   68.845   19.808   38.149   16.983 30.69584 26.09140 
1 1 1  -32    6   39 o  103.849   9.8911   30.327   5.5283   31.300   8.2430   29.531   7.4530  105.198   14.501  102.501   13.456 2.697540 19.78214 
1 1 1  -32    6   40 o   59.515   14.048   10.148   5.3035   11.056   7.6665   9.3151   7.3443   61.495   20.070   57.534   19.662 3.961731 28.09616 
1 1 1  -32    6   41 o   50.642   13.761   5.7766   5.3006   6.7637   7.6577   4.8687   7.3445   52.616   19.805   48.668   19.112 3.947174 27.52279 
1 1 1  -32    6   42 o   81.302   12.086   19.077   5.4882   33.264   8.3041   8.0750   7.3130  108.068   14.220   54.537   19.546 53.53154 24.17114 
1 1 1  -32    6   43 o   59.796   13.841   10.188   5.3453   14.760   7.7821   6.1040   7.3549   69.011   19.822   50.582   19.322 18.42915 27.68106 
1 1 1  -32    6   44 f   40.787   12.610  -1.5707   5.4653  -6.1400   7.5534   3.4501   7.9178   34.560   16.177   47.013   19.349 -12.45315 25.22052 
1 1 1  -32    6   45 o   56.705   14.114   7.9435   5.8454   14.812   8.3982   1.4887   8.1410   68.774   20.815   44.637   19.065 24.13699 28.22703 
1 1 1  -32    6   46 o  151.822   8.1925   65.275   6.6867   57.717   9.4192   72.954   9.4940  142.563   12.227  161.082   10.907 -18.51886 16.38500 
1 1 1  -32    6   47 o   41.259   13.019  -1.5653   5.9184  -3.5209   8.1299   0.6397   8.6325   38.342   17.532   44.175   19.252 -5.832855 26.03850 
1 1 1  -32    6   48 o   56.767   13.871   7.6276   6.0405  -1.7879   8.4071   17.676   8.6849   40.416   18.219   73.119   20.922 -32.70338 27.74284 
1 1 1  -32    6   49 o   50.863   14.350   5.1463   6.2396   10.873   8.9926  -0.1705   8.6647   59.156   21.608   42.570   18.890 16.58510 28.70064 
1 1 1  -32    6   50 o   46.560   21.761  -6.5631   13.579   0.0000   0.0000  -6.5631   13.579  ?   ?    46.560   21.761      ?      ? 
1 1 1  -32    6   52 o   54.137   16.506   6.9482   9.3554  -2.9437   14.336   14.286   12.347   46.893   22.057   61.381   24.561 -14.48841 33.01127 
1 1 1  -32    6   53 o   49.006   14.388   4.9993   6.4750   0.5453   9.3276   9.1417   8.9955   43.515   19.436   54.497   21.221 -10.98183 28.77658 
1 1 1  -32    6   54 o   53.828   15.198   9.5035   6.6728   9.1836   9.3829   9.8309   9.4914   53.319   21.384   54.336   21.602 -1.017162 30.39585 
1 1 1  -32    7    1 o  256.298   5.4793  178.627   7.5605  163.312   10.798  193.354   10.589  245.445   8.1416  267.152   7.3352 -21.70630 10.95864 
1 1 1  -32    7    2 o  111.637   8.3254   33.688   4.9964   35.980   7.5408   31.895   6.6708  114.975   12.137  108.299   11.399 6.676430 16.65090 
1 1 1  -32    7    3 o  129.143   7.4676   45.158   5.2023   48.185   7.6279   42.526   7.1133  133.173   10.600  125.114   10.522 8.058884 14.93518 
1 1 1  -32    7    4 o  214.575   5.6538  125.019   6.5092  122.840   9.7589  126.764   8.7364  212.846   8.4850  216.305   7.4744 -3.459747 11.30760 
1 1 1  -32    7    5 o  161.021   6.5791   70.279   5.7033   71.210   8.4618   69.504   7.7204  161.969   9.6681  160.072   8.9255 1.896469 13.15817 
1 1 1  -32    7    6 o  114.274   8.4327   35.714   5.1780   33.253   7.5614   37.887   7.1054  110.497   12.664  118.051   11.139 -7.554108 16.86539 
1 1 1  -32    7    7 o   53.341   13.372   6.8127   4.8025   6.8855   7.2538   6.7560   6.4080   54.203   19.462   52.479   18.344 1.723637 26.74455 
1 1 1  -32    7    8 o   84.941   11.177   19.983   4.9567   27.189   7.3544   13.985   6.7096   99.840   13.632   70.042   17.715 29.79768 22.35313 
1 1 1  -32    7    9 o   60.745   13.070   9.3967   4.9254   15.226   7.3454   4.6346   6.6391   73.022   18.572   48.468   18.395 24.55422 26.13994 
1 1 1  -32    7   10 o  400.085   6.0599  433.988   13.090  438.952   18.942  429.449   18.111  402.247   8.7144  397.922   8.4230 4.324921 12.11971 
1 1 1  -32    7   11 o  106.297   16.911   31.014   9.7134   0.0000   0.0000   31.014   9.7134  ?   ?   106.297   16.911      ?      ? 
1 1 1  -32    7   12 o  220.283   6.9464  131.230   8.0959  128.930   10.396  134.775   12.905  217.959   8.8271  222.607   10.728 -4.648727 13.89272 
1 1 1  -32    7   13 o  137.942   8.3335   50.461   6.0266   57.432   10.047   46.542   7.5322  145.082   12.815  130.802   10.657 14.28000 16.66710 
1 1 1  -32    7   14 o  211.829   6.1150  121.570   6.9378  123.505   10.573  120.107   9.1939  213.245   9.1755  210.413   8.0861 2.832153 12.23006 
1 1 1  -32    7   15 o   36.659   11.755  -4.0742   4.9380  -2.5856   7.7615  -5.0865   6.4004   40.244   17.867   33.073   15.279 7.170750 23.50932 
1 1 1  -32    7   16 o  203.869   6.0573  111.514   6.6238  123.597   10.148  102.544   8.7434  213.353   8.8020  194.385   8.3239 18.96750 12.11456 
1 1 1  -32    7   17 o   95.804   10.795   24.700   5.3617   32.732   8.4140   19.209   6.9571  109.359   14.238   82.250   16.230 27.10826 21.59007 
1 1 1  -32    7   18 o  252.207   7.7700  173.359   10.573  162.117   14.932  184.662   14.973  243.938   11.328  260.475   10.638 -16.53734 15.54000 
1 1 1  -32    7   19 o  290.208   7.7296  229.479   12.110  227.027   17.452  231.757   16.818  288.657   11.189  291.759   10.668 -3.102661 15.45919 
1 1 1  -32    7   20 o  369.085   8.2224  371.572   16.389  372.973   23.613  370.270   22.765  369.698   11.820  368.473   11.433 1.224274 16.44481 
1 1 1  -32    7   21 o   41.787   12.675  -2.8240   5.3702   4.3344   8.2518  -8.0833   7.0730   51.237   20.214   32.338   15.297 18.89917 25.34925 
1 1 1  -32    7   22 o  211.739   6.1613  121.851   7.0085  122.239   10.499  121.539   9.4126  211.973   9.1662  211.505   8.2357 0.4679260 12.32263 
1 1 1  -32    7   23 o   47.845   14.566   0.7708   6.2008  -4.8581   12.675   2.5421   7.1098   50.177   22.516   45.513   18.487 4.663223 29.13277 
1 1 1  -32    7   24 o   53.225   14.752  -2.9496   7.9270 -23.7162   11.915   13.541   10.618   35.902   17.648   70.548   23.643 -34.64579 29.50312 
1 1 1  -32    7   25 o   75.076   17.186   15.772   8.4355   7.1149   13.146   21.831   10.998   63.953   25.423   86.198   23.131 -22.24451 34.37138 
1 1 1  -32    7   26 o  325.642   5.7820  288.161   10.161  293.020   14.808  283.839   13.967  328.188   8.3500  323.096   8.0001 5.091309 11.56395 
1 1 1  -32    7   27 o  193.346   6.3317  101.844   6.5866  101.808   9.7772  101.874   8.9125  193.240   9.3633  193.452   8.5259 -0.2118073 12.66343 
1 1 1  -32    7   28 o  112.858   9.3048   35.232   5.6129   33.897   8.4936   36.267   7.4786  110.778   14.189  114.938   12.041 -4.159248 18.60952 
1 1 1  -32    7   29 o   79.114   12.818   18.231   5.3584   18.507   7.7491   17.978   7.4175   79.642   18.380   78.586   17.871 1.055870 25.63554 
1 1 1  -32    7   30 o   94.729   10.993   25.979   5.3344   22.056   8.1430   28.928   7.0602   87.079   17.904  102.379   12.762 -15.29945 21.98651 
1 1 1  -32    7   31 o  172.911   6.7103   82.109   6.2253   78.726   9.2602   84.899   8.4091  169.505   10.110  176.318   8.8260 -6.812668 13.42052 
1 1 1  -32    7   32 o  198.723   6.2169  106.984   6.6207  114.699   10.161  101.293   8.7277  204.796   9.1820  192.649   8.3839 12.14693 12.43374 
1 1 1  -32    7   33 o   74.484   12.074   17.138   5.3175   5.1750   8.0468   26.412   7.0848   51.438   20.060   97.530   13.443 -46.09225 24.14763 
1 1 1  -32    7   34 o   92.802   11.254   24.991   5.4143   19.771   7.7565   29.950   7.5610   81.895   18.017  103.710   13.492 -21.81539 22.50874 
1 1 1  -32    7   35 o   42.492   12.698   0.3139   5.0886   3.9380   7.6171  -2.6072   6.8385   48.214   19.291   36.769   16.516 11.44534 25.39589 
1 1 1  -32    7   36 o  207.186   6.2109  118.283   6.9133  105.818   9.9033  130.132   9.6552  196.290   9.3367  218.083   8.1932 -21.79288 12.42183 
1 1 1  -32    7   37 o  181.199   6.7397   90.354   6.5921   90.501   9.5472   90.220   9.1132  181.264   9.7471  181.134   9.3107 0.1298981 13.47945 
1 1 1  -32    7   38 o   29.926   14.565 -12.4222   7.5376 -12.4222   7.5376   0.0000   0.0000   29.926   14.565  ?   ?       ?      ? 
1 1 1  -32    7   39 o  200.593   6.4115  110.664   6.9469  113.227   9.9973  108.271   9.6601  202.815   9.1222  198.371   9.0119 4.443878 12.82294 
1 1 1  -32    7   40 o  131.462   8.4780   48.454   5.9884   42.537   8.4411   54.449   8.4970  123.093   12.690  139.831   11.245 -16.73875 16.95600 
1 1 1  -32    7   41 o   79.000   12.141   19.111   5.8398   3.8364   8.3309   33.868   8.1885   48.755   19.931  109.244   13.871 -60.48966 24.28250 
1 1 1  -32    7   42 o   58.603   13.660   8.3500   5.6672   17.256   8.3126   0.6158   7.7466   74.460   20.163   42.746   18.433 31.71482 27.31936 
1 1 1  -32    7   43 o  122.562   8.9663   42.435   5.9258   46.403   8.5764   38.809   8.1972  128.163   12.384  116.961   12.970 11.20165 17.93258 
1 1 1  -32    7   44 o   36.108   11.887  -6.0718   5.6420  -3.5953   8.2667  -8.2312   7.7194   38.978   17.766   33.238   15.797 5.740360 23.77370 
1 1 1  -32    7   45 f   65.013   14.363   12.795   6.0051   18.938   8.4124   6.4120   8.5748   77.457   19.971   52.569   20.648 24.88855 28.72583 
1 1 1  -32    7   46 o  125.674   9.5181   45.421   6.4491   41.885   9.0824   49.017   9.1587  120.457   13.953  130.892   12.949 -10.43534 19.03616 
1 1 1  -32    7   47 f   50.361   13.242   2.2307   6.0808 -11.1385   8.7928   14.486   8.4184   33.633   16.215   67.089   20.939 -33.45578 26.48357 
1 1 1  -32    7   48 o   62.466   14.165   11.161   6.0524   20.959   8.9945   3.0528   8.1819   79.294   20.751   45.639   19.288 33.65509 28.33074 
1 1 1  -32    7   49 o  149.336   12.974   69.001   10.276   83.829   14.709   54.865   14.362  167.038   16.296  131.633   20.192 35.40515 25.94722 
1 1 1  -32    7   51 o   79.538   27.721   26.216   14.629   0.0000   0.0000   26.216   14.629  ?   ?    79.538   27.721      ?      ? 
1 1 1  -32    7   52 o   64.797   17.214   14.430   8.1148   8.5595   10.226   24.414   13.336   53.604   22.016   75.991   26.469 -22.38699 34.42846 
1 1 1  -32    7   53 o  137.535   9.9234   56.861   7.3533   63.077   10.784   51.459   10.053  144.784   13.784  130.286   14.279 14.49812 19.84672 
1 1 1  -32    7   54 o   64.656   16.125   16.568   7.0893   18.899   9.8923   14.107   10.165   68.959   22.812   60.353   22.796 8.605721 32.24984 
1 1 1  -32    8    1 o  103.203   9.1050   29.310   5.0097   27.193   7.5684   30.960   6.6834   99.766   14.039  106.640   11.598 -6.873001 18.21005 
1 1 1  -32    8    2 f  125.130   7.6589   42.322   5.1525   45.087   7.7685   40.151   6.8849  128.730   11.168  121.530   10.484 7.199722 15.31776 
1 1 1  -32    8    3 o   80.444   11.504   17.553   4.8995   24.959   7.5321   12.121   6.4507   95.548   14.588   65.340   17.791 30.20776 23.00720 
1 1 1  -32    8    4 o  177.556   8.4027   85.513   8.0620   0.0000   0.0000   85.513   8.0620  ?   ?   177.556   8.4027      ?      ? 
1 1 1  -32    8    5 o   81.137   11.683   18.758   4.8999   18.134   7.5094   19.221   6.4662   79.690   17.879   82.583   15.044 -2.893806 23.36607 
1 1 1  -32    8    6 o  177.774   6.3207   86.229   6.0365   80.128   8.8203   91.604   8.2792  171.776   9.5024  183.772   8.3372 -11.99657 12.64138 
1 1 1  -32    8    7 o  154.238   6.8241   65.485   5.6091   57.111   8.2836   72.576   7.6226  144.927   10.577  163.549   8.6251 -18.62238 13.64828 
1 1 1  -32    8    8 f  109.368   8.7624   32.122   5.1358   38.374   7.7854   27.305   6.8336  118.669   12.141  100.066   12.638 18.60349 17.52477 
1 1 1  -32    8    9 o  142.366   7.3670   54.882   5.6212   56.880   8.5769   53.378   7.4423  144.578   10.978  140.155   9.8268 4.422714 14.73403 
1 1 1  -32    8   10 f  237.227   6.6595  152.884   8.4076  152.948   10.980  152.793   13.072  237.398   8.5595  237.056   10.204 0.3422546 13.31902 
1 1 1  -32    8   11 o  149.825   8.3167   61.684   6.6377   64.688   8.8134   57.748   10.090  154.197   10.577  145.454   12.837 8.743454 16.63338 
1 1 1  -32    8   12 o  167.010   7.3613   72.690   6.3071   85.968   11.144   66.433   7.6502  177.620   11.611  156.400   9.0520 21.22015 14.72261 
1 1 1  -32    8   13 o   69.261   13.910   14.157   5.4089   9.8243   9.5220   16.221   6.5722   63.125   22.337   75.397   16.582 -12.27210 27.81928 
1 1 1  -32    8   14 o   98.388   9.9495   26.141   5.2549   29.955   7.9882   23.230   6.9772  104.628   14.129   92.148   14.012 12.48004 19.89908 
1 1 1  -32    8   15 o  154.608   7.1300   63.866   5.8893   72.606   9.2132   57.827   7.6583  163.360   10.437  145.856   9.7167 17.50392 14.25994 
1 1 1  -32    8   16 o  319.267   6.8156  275.541   11.411  270.873   14.429  283.333   18.644  315.898   8.4527  322.635   10.694 -6.736084 13.63116 
1 1 1  -32    8   17 o  122.016   11.084   41.371   7.2167   36.329   10.619   45.698   9.8374  114.835   17.113  129.196   14.091 -14.36090 22.16798 
1 1 1  -32    8   18 o  211.728   8.3113  122.305   9.4879  122.185   13.883  122.410   12.997  211.562   12.144  211.894   11.351 -0.3324280 16.62265 
1 1 1  -32    8   19 o  121.329   11.865   42.049   7.3738   32.613   10.722   50.518   10.157  106.885   19.273  135.773   13.844 -28.88802 23.72989 
1 1 1  -32    8   20 o   90.343   11.686   23.719   5.4237   18.533   8.2195   27.718   7.2183   80.103   19.232  100.584   13.281 -20.48167 23.37209 
1 1 1  -32    8   21 o   80.687   12.653   18.386   5.3548   22.407   8.1591   15.344   7.0972   88.428   17.693   72.947   18.093 15.48065 25.30598 
1 1 1  -32    8   22 o  183.033   6.6494   92.402   6.4844   81.985   9.6551  100.961   8.7519  173.370   10.306  192.696   8.4050 -19.32632 13.29888 
1 1 1  -32    8   23 o  283.192   8.6180  219.844   13.060  218.604   19.862  220.788   17.334  282.211   13.025  284.172   11.289 -1.960480 17.23597 
1 1 1  -32    8   24 o  130.375   14.659   52.245   9.2827   35.473   14.723   63.311   11.959  109.225   25.421  151.525   14.606 -42.29908 29.31868 
1 1 1  -32    8   25 o  192.578   7.8029  101.995   7.9309  104.246   10.244   98.626   12.531  195.510   9.6961  189.646   12.228 5.864090 15.60574 
1 1 1  -32    8   26 o  154.576   8.5691   64.888   7.0522   61.903   9.1308   69.302   11.102  150.378   11.237  158.774   12.940 -8.396088 17.13814 
1 1 1  -32    8   27 o  144.588   7.9277   57.445   6.1677   55.101   9.0337   59.492   8.4412  141.709   11.797  147.466   10.593 -5.757278 15.85532 
1 1 1  -32    8   28 o   71.030   13.491   14.774   5.2608   14.092   8.0679   15.278   6.9390   69.651   20.234   72.409   17.849 -2.757362 26.98141 
1 1 1  -32    8   29 o  177.486   6.7375   86.003   6.4413   87.710   9.5351   84.571   8.7359  179.029   9.8563  175.943   9.1886 3.086090 13.47504 
1 1 1  -32    8   30 o   64.367   13.930   11.702   5.3440   14.532   7.8442   9.2519   7.3001   70.396   19.794   58.337   19.604 12.05882 27.85904 
1 1 1  -32    8   31 o   45.626   13.228   1.8804   5.2223   5.1262   8.0232  -0.5056   6.8791   51.405   20.035   39.848   17.277 11.55641 26.45522 
1 1 1  -32    8   32 o   76.352   13.295   16.675   5.5674   23.839   8.4134   11.094   7.4259   90.368   17.863   62.337   19.698 28.03079 26.59067 
1 1 1  -32    8   33 o  130.387   8.3889   46.573   5.8699   50.643   8.9595   43.513   7.7695  135.231   12.261  125.544   11.453 9.686508 16.77780 
1 1 1  -32    8   34 o   40.749   12.494  -1.2130   5.1508   2.6337   7.7570  -4.2468   6.8887   46.449   19.138   35.050   16.067 11.39935 24.98816 
1 1 1  -32    8   35 o  158.336   7.3199   68.392   6.2281   78.916   9.3289   59.928   8.3655  169.259   10.200  147.413   10.502 21.84662 14.63982 
1 1 1  -32    8   36 o   53.543   13.881   6.0064   5.4097   11.544   8.3565   2.0115   7.0977   63.303   20.968   43.783   18.196 19.52024 27.76252 
1 1 1  -32    8   37 o  106.731   9.9224   32.475   5.6464   27.784   8.2072   36.690   7.7803   98.890   15.359  114.572   12.567 -15.68276 19.84489 
1 1 1  -32    8   38 o  116.944   9.5054   39.026   5.8985   31.934   8.5413   45.491   8.1556  106.112   14.896  127.776   11.812 -21.66442 19.01083 
1 1 1  -32    8   39 o   69.584   13.990   14.741   5.5543   12.505   7.9275   16.897   7.7845   64.653   20.343   74.515   19.210 -9.862190 27.97959 
1 1 1  -32    8   40 o  119.987   9.4260   40.731   6.0839   39.947   8.9825   41.395   8.2696  118.645   14.011  121.329   12.613 -2.684265 18.85204 
1 1 1  -32    8   41 o   68.253   14.420   14.363   5.7252   14.288   7.9858   14.443   8.2122   68.096   20.228   68.410   20.556 -0.3146286 28.83976 
1 1 1  -32    8   42 o   80.163   12.863   19.944   5.6283   13.922   8.2791   25.119   7.6745   67.018   20.740   93.307   15.221 -26.28876 25.72632 
1 1 1  -32    8   43 o   99.290   11.465   28.276   5.9438   35.196   9.2776   23.459   7.7411  110.214   15.578   88.367   16.826 21.84721 22.93022 
1 1 1  -32    8   44 o   82.516   13.184   20.738   5.9817   28.382   8.6582   13.758   8.2738   98.563   16.256   66.468   20.761 32.09554 26.36820 
1 1 1  -32    8   45 o  142.062   8.5932   56.971   6.5770   62.430   9.7499   52.413   8.9093  148.259   12.170  135.864   12.135 12.39468 17.18644 
1 1 1  -32    8   46 o   55.855   14.710   8.2401   6.1271   4.3340   8.6692   12.138   8.6607   49.162   20.241   62.547   21.351 -13.38536 29.42069 
1 1 1  -32    8   47 f  126.220   9.9177   46.644   6.7432   42.250   9.4445   51.214   9.6309  119.750   14.595  132.689   13.432 -12.93921 19.83548 
1 1 1  -32    8   48 o   67.021   16.831   13.323   7.7659   7.1179   9.9010   23.243   12.519   53.964   21.852   80.078   25.605 -26.11440 33.66158 
1 1 1  -32    8   49 o   62.030   15.758  -0.1143   10.133 -40.8108   15.846   28.041   13.180   35.624   17.942   88.436   25.911 -52.81166 31.51690 
1 1 1  -32    8   51 o   58.233   17.675   11.261   9.9575   10.919   15.007   11.529   13.310   58.238   25.382   58.228   24.604 0.9757996E-02 35.34985 
1 1 1  -32    8   52 o  153.333   9.2035   69.742   7.6137   74.333   10.821   65.240   10.714  158.747   12.615  147.920   13.405 10.82661 18.40694 
1 1 1  -32    8   53 o   47.283   14.428   3.9387   6.9835  -1.6389   10.472   8.4056   9.3717   42.351   19.557   52.215   21.218 -9.863762 28.85673 
1 1 1  -32    9    1 o  158.976   6.6915   68.793   5.6927   67.776   8.6393   69.573   7.5680  157.870   10.127  160.081   8.7489 -2.210892 13.38296 
1 1 1  -32    9    2 f   98.514   10.213   28.154   5.0217   21.978   7.8648   32.405   6.5249   87.932   17.168  109.095   11.068 -21.16262 20.42667 
1 1 1  -32    9    3 o  188.174   6.0925   95.172   6.1115  101.699   9.5819   90.696   7.9352  193.502   9.1638  182.846   8.0312 10.65578 12.18509 
1 1 1  -32    9    4 o  100.579   10.765   30.674   5.2201   17.762   7.8711   40.813   6.9747   78.679   18.775  122.479   10.538 -43.80025 21.53046 
1 1 1  -32    9    5 o   38.708   11.735  -2.2130   4.8481 -10.3510   7.5732   3.4377   6.3106   32.120   15.371   45.296   17.737 -13.17592 23.47032 
1 1 1  -32    9    6 o  147.561   7.3736   61.065   5.6970   48.429   8.5624   71.102   7.6314  133.289   11.888  161.834   8.7266 -28.54440 14.74726 
1 1 1  -32    9    7 o  130.226   7.8294   45.608   5.4620   50.451   8.4235   42.094   7.1747  136.082   11.455  124.370   10.676 11.71234 15.65874 
1 1 1  -32    9    8 o  126.494   8.0214   43.652   5.4192   43.145   8.2941   44.030   7.1584  125.771   12.204  127.217   10.413 -1.445763 16.04275 
1 1 1  -32    9    9 o   92.101   11.084   23.353   5.3802   25.732   8.2027   21.557   7.1276   96.831   15.677   87.371   15.673 9.460480 22.16729 
1 1 1  -32    9   10 o  116.546   9.9075   36.788   6.2080   33.033   8.3091   41.532   9.3400  109.885   13.994  123.207   14.029 -13.32238 19.81491 
1 1 1  -32    9   11 o  160.225   12.809   70.090   11.090   70.090   11.090   0.0000   0.0000  160.225   12.809  ?   ?       ?      ? 
1 1 1  -32    9   12 o  211.486   7.0132  124.378   7.5551  112.905   12.737  130.606   9.3844  203.549   11.580  219.423   7.9147 -15.87395 14.02632 
1 1 1  -32    9   13 o  236.421   7.8641  151.623   10.047   0.0000   0.0000  151.623   10.047  ?   ?   236.421   7.8641      ?      ? 
1 1 1  -32    9   14 o   41.785   12.590  -1.4839   5.1887   3.7647   7.7360  -5.7759   6.9956   49.252   19.527   34.319   15.896 14.93273 25.17912 
1 1 1  -32    9   15 o  233.188   6.9934  146.728   8.7146  140.491   11.401  155.495   13.516  227.366   9.2793  239.010   10.465 -11.64438 13.98673 
1 1 1  -32    9   16 o  191.257   8.3951   99.275   8.6176  104.369   13.094   95.383   11.446  195.476   12.396  187.038   11.325 8.437332 16.79027 
1 1 1  -32    9   17 o   62.964   15.691   9.8427   6.7163   7.2500   9.8327   12.110   9.1959   59.039   22.391   66.890   21.988 -7.850941 31.38221 
1 1 1  -32    9   18 o  111.221   11.780   35.187   6.2889   33.221   11.284   36.072   7.5743  107.570   20.153  114.872   12.202 -7.301666 23.55939 
1 1 1  -32    9   19 o   46.067   13.271   1.7717   5.2480   5.2825   7.9893  -0.8929   6.9603   52.219   20.092   39.915   17.342 12.30333 26.54126 
1 1 1  -32    9   20 o  180.607   6.7966   87.875   6.5684   95.656   10.169   82.305   8.6040  187.324   10.046  173.890   9.1566 13.43375 13.59318 
1 1 1  -32    9   21 o  242.958   5.9704  160.711   7.8001  158.709   11.578  162.375   10.555  241.488   8.8723  244.429   7.9914 -2.940353 11.94072 
1 1 1  -32    9   22 o  230.188   8.4426  148.678   8.9946  138.040   17.885  152.279   10.406  223.714   14.795  236.661   8.1373 -12.94667 16.88515 
1 1 1  -32    9   23 o  202.395   9.7002  111.270   10.433  120.540   16.570  105.180   13.429  209.027   14.670  195.764   12.695 13.26291 19.40032 
1 1 1  -32    9   24 o  153.946   11.911   67.064   9.4898   61.351   15.460   70.518   12.021  147.902   19.344  159.990   13.905 -12.08818 23.82298 
1 1 1  -32    9   25 o   42.401   13.916  -5.5894   6.6017 -12.4347   13.881  -3.5886   7.5047   46.752   21.899   38.049   17.177 8.703712 27.83201 
1 1 1  -32    9   26 o  104.122   12.559   31.457   6.6657   33.887   8.6278   27.860   10.499  110.683   14.425   97.561   20.563 13.12138 25.11809 
1 1 1  -32    9   27 o   50.629   14.192   2.9031   6.3352   8.9819   8.2339  -5.9167   9.9180   59.020   20.783   42.238   19.332 16.78148 28.38410 
1 1 1  -32    9   28 o  188.787   6.6943   97.701   6.8087   93.109   9.8647  101.878   9.4093  184.436   9.8981  193.138   9.0158 -8.701721 13.38865 
1 1 1  -32    9   29 f   53.623   13.952   6.4559   5.2935   9.0552   8.1783   4.5818   6.9444   58.928   20.717   48.319   18.693 10.60903 27.90322 
1 1 1  -32    9   30 o  204.832   6.3052  115.024   6.9226  111.584   10.383  117.778   9.2882  201.904   9.5170  207.761   8.2733 -5.856537 12.61038 
1 1 1  -32    9   31 o  160.036   7.4928   71.234   6.3977   62.209   9.3952   79.038   8.7361  150.209   11.575  169.864   9.5176 -19.65581 14.98555 
1 1 1  -32    9   32 f  205.288   6.3872  115.554   7.0422  114.049   10.516  116.776   9.4819  203.915   9.5441  206.660   8.4908 -2.745712 12.77432 
1 1 1  -32    9   33 o  189.333   6.8077   98.874   6.9187   94.474   10.254  102.552   9.3742  185.243   10.244  193.422   8.9689 -8.178391 13.61532 
1 1 1  -32    9   34 o  200.345   6.3090  109.925   6.7933  111.403   10.176  108.736   9.1242  201.414   9.3497  199.276   8.4733 2.137848 12.61799 
1 1 1  -32    9   35 o  199.639   6.3961  108.685   6.8672  117.015   10.343  102.120   9.1831  206.349   9.2763  192.929   8.8086 13.42007 12.79220 
1 1 1  -32    9   36 o  167.180   7.3335   76.570   6.5851   83.714   10.005   71.111   8.7466  173.893   10.648  160.468   10.087 13.42453 14.66704 
1 1 1  -32    9   37 o  239.750   6.2963  157.860   8.1447  161.419   11.900  154.724   11.171  242.200   9.0929  237.301   8.7116 4.898895 12.59255 
1 1 1  -32    9   38 o  141.251   8.2280   56.300   6.1907   49.891   9.1994   61.604   8.3694  133.371   12.765  149.131   10.386 -15.75975 16.45605 
1 1 1  -32    9   39 o   62.000   13.101   11.018   5.4926   1.5433   8.2099   18.695   7.3901   45.274   19.237   78.725   17.791 -33.45102 26.20239 
1 1 1  -32    9   40 o  102.095   10.949   29.976   6.0386   30.270   8.6619   29.697   8.4228  102.523   15.635  101.668   15.331 0.8550262 21.89783 
1 1 1  -32    9   41 o   51.342   19.556   6.3836   7.5211   0.0000   0.0000   6.3836   7.5211  ?   ?    51.342   19.556      ?      ? 
1 1 1  -32    9   42 o  132.169   8.7247   49.385   6.1944   48.966   9.2434   49.727   8.3457  131.330   13.025  133.009   11.612 -1.678192 17.44942 
1 1 1  -32    9   43 o   48.362   13.925   1.4538   6.1947   9.8635   9.1609  -5.6316   8.4087   59.378   21.791   37.346   17.343 22.03268 27.85000 
1 1 1  -32    9   44 o   64.476   14.325   12.922   5.8681   7.5537   8.5949   17.610   8.0312   54.322   20.854   74.630   19.646 -20.30808 28.65085 
1 1 1  -32    9   45 o   99.297   12.316   29.772   6.3813   36.717   9.2871   23.560   8.7831  112.030   15.341   86.565   19.272 25.46483 24.63247 
1 1 1  -32    9   46 o   52.806   14.365   6.5187   6.2243  -0.1596   9.3794   11.774   8.3204   44.418   19.685   61.194   20.927 -16.77668 28.73057 
1 1 1  -32    9   47 o   66.607   15.449   14.777   6.4633   17.276   9.3117   12.454   8.9783   71.275   21.986   61.938   21.710 9.336784 30.89810 
1 1 1  -32    9   48 o   36.115   17.951 -26.9144   13.616   0.0000   0.0000 -26.9144   13.616  ?   ?    36.115   17.951      ?      ? 
1 1 1  -32    9   49 o  140.168   21.076   62.995   15.963   0.0000   0.0000   62.995   15.963  ?   ?   140.168   21.076      ?      ? 
1 1 1  -32    9   50 o   38.863   18.999 -15.6126   13.244   0.0000   0.0000 -15.6126   13.244  ?   ?    38.863   18.999      ?      ? 
1 1 1  -32    9   51 f  102.785   14.873   33.717   8.1825   18.842   10.275   59.505   13.528   70.692   23.243  134.877   18.562 -64.18438 29.74520 
1 1 1  -32    9   52 o   68.265   15.275   15.866   7.0988   27.250   10.396   5.9210   9.7166   86.592   22.134   49.938   21.057 36.65380 30.55025 
1 1 1  -32    9   53 o   75.474   15.728   21.919   6.9135   26.393   10.165   18.068   9.4303   83.005   22.222   67.942   22.264 15.06242 31.45615 
1 1 1  -32   10    1 o   89.617   10.785   21.631   5.0319   25.970   8.1506   18.958   6.3964   97.292   15.503   81.942   14.998 15.34984 21.57098 
1 1 1  -32   10    2 o  182.390   6.3669   90.998   6.1568   86.784   9.5654   93.978   8.0447  178.660   9.9081  186.120   7.9988 -7.460083 12.73386 
1 1 1  -32   10    3 o   41.675   12.395   0.7025   4.7580  -2.8977   7.8647   2.7808   5.9755   40.173   17.902   43.177   17.148 -3.004208 24.78989 
1 1 1  -32   10    4 o   71.692   13.051   15.085   5.1220   11.573   7.9750   17.552   6.6823   64.848   20.403   78.535   16.281 -13.68753 26.10287 
1 1 1  -32   10    5 o  156.993   6.9383   67.428   5.8295   63.473   8.7195   70.624   7.8391  152.727   10.565  161.258   8.9961 -8.531296 13.87652 
1 1 1  -32   10    6 o   72.839   12.938   14.748   5.1335   19.874   7.8008   10.833   6.8178   83.391   17.850   62.288   18.733 21.10301 25.87585 
1 1 1  -32   10    7 o   50.775   13.313   4.3075   5.0096   9.6911   7.8131   0.5491   6.5281   60.673   20.282   40.877   17.250 19.79573 26.62502 
1 1 1  -32   10    8 o  213.190   9.2946  123.484   10.707  123.484   10.707   0.0000   0.0000  213.190   9.2946  ?   ?       ?      ? 
1 1 1  -32   10    9 o  283.901   6.7641  220.673   10.285  234.572   13.942  204.077   15.234  293.914   8.7781  273.887   10.294 20.02652 13.52829 
1 1 1  -32   10   10 o  276.169   6.0006  208.050   8.8808  198.310   13.263  215.966   11.957  270.186   9.0843  282.152   7.8424 -11.96603 12.00113 
1 1 1  -32   10   11 f  181.619   7.5426   88.952   6.9740   92.342   12.197   87.305   8.5005  183.943   12.271  179.296   8.7738 4.646957 15.08526 
1 1 1  -32   10   12 o   99.755   10.944   29.079   5.4566   21.895   8.4280   34.264   7.1599   87.436   18.419  112.073   11.823 -24.63690 21.88715 
1 1 1  -32   10   13 o  328.813   10.894  294.595   19.357   0.0000   0.0000  294.595   19.357  ?   ?   328.813   10.894      ?      ? 
1 1 1  -32   10   14 o   84.321   15.840   20.563   7.2878   20.980   11.136   20.250   9.6384   85.041   23.467   83.601   21.281 1.439835 31.67947 
1 1 1  -32   10   15 f  261.026   7.8659  186.427   11.032  179.820   16.324  191.982   14.968  256.607   11.773  265.446   10.435 -8.838440 15.73188 
1 1 1  -32   10   16 o  149.115   9.6992   61.980   7.6827   53.153   11.391   69.347   10.406  138.966   15.169  159.264   12.091 -20.29771 19.39833 
1 1 1  -32   10   17 o  167.025   7.1525   75.230   6.4141   83.181   9.7709   69.209   8.5025  174.665   10.352  159.386   9.8721 15.27826 14.30494 
1 1 1  -32   10   18 o  197.475   9.8527  106.274   10.514  106.274   10.514   0.0000   0.0000  197.475   9.8527  ?   ?       ?      ? 
1 1 1  -32   10   19 o  398.441   6.2462  431.778   13.410  435.302   19.757  428.768   18.260  399.845   9.1443  397.037   8.5112 2.808350 12.49235 
1 1 1  -32   10   20 o   58.524   13.461   7.1483   5.3094   16.154   8.3455   1.0248   6.8818   74.623   20.201   42.424   17.796 32.19959 26.92196 
1 1 1  -32   10   21 o  204.127   6.3266  114.462   6.8812  106.609   10.432  120.510   9.1552  197.723   9.7642  210.531   8.0476 -12.80731 12.65318 
1 1 1  -32   10   22 o  209.332   9.7027  122.742   10.642  110.946   16.783  130.676   13.764  200.231   15.511  218.433   11.661 -18.20117 19.40534 
1 1 1  -32   10   23 o  347.101   8.8393  329.905   16.360  336.487   25.379  325.225   21.399  349.623   13.433  344.578   11.492 5.044830 17.67851 
1 1 1  -32   10   24 o   64.186   14.914   8.4088   6.7664  -0.7663   9.0126   20.261   10.244   45.477   19.746   82.895   22.356 -37.41832 29.82797 
1 1 1  -32   10   25 o   58.410   14.850   8.2930   6.5307  -6.4099   13.001   13.255   7.5528   49.149   22.355   67.672   19.554 -18.52294 29.70025 
1 1 1  -32   10   26 o  315.468   7.5493  267.913   11.511  284.009   22.158  261.964   13.471  320.848   12.780  310.088   8.0392 10.75967 15.09866 
1 1 1  -32   10   27 o  129.627   10.628   45.708   7.2809   41.932   9.2278   51.937   11.851  122.981   13.886  136.273   16.094 -13.29209 21.25629 
1 1 1  -32   10   28 o  229.519   7.4203  145.085   8.9501  147.000   11.447  142.072   14.355  231.899   9.1352  227.139   11.696 4.759964 14.84057 
1 1 1  -32   10   29 o   70.293   13.196   14.846   5.3690   8.3954   8.0127   20.102   7.2329   57.343   20.469   83.243   16.661 -25.89969 26.39264 
1 1 1  -32   10   30 o  262.585   5.9412  188.891   8.4000  179.939   12.219  196.913   11.566  256.525   8.8151  268.644   7.9677 -12.11911 11.88233 
1 1 1  -32   10   31 o  102.651   11.522   29.339   5.9823   44.168   9.2526   18.687   7.8418  125.900   13.600   79.402   18.602 46.49857 23.04393 
1 1 1  -32   10   32 o  100.361   10.752   27.531   5.7225   32.803   9.2446   24.257   7.2863  107.736   15.880   92.986   14.501 14.75021 21.50465 
1 1 1  -32   10   33 o  124.521   9.1494   43.136   6.1066   43.825   9.2683   42.608   8.1177  125.166   13.703  123.876   12.127 1.290604 18.29883 
1 1 1  -32   10   34 o   71.302   12.493   15.609   5.6646   2.8705   8.7476   24.808   7.4337   48.782   20.231   93.822   14.663 -45.03981 24.98559 
1 1 1  -32   10   35 f   45.556   13.318   2.0101   5.5357  -2.4869   8.3886   5.4791   7.3676   41.018   18.368   50.094   19.289 -9.076984 26.63529 
1 1 1  -32   10   36 o   47.568   13.682   3.4097   5.5080   4.7236   8.1623   2.3111   7.4635   50.196   20.008   44.939   18.666 5.257149 27.36347 
1 1 1  -32   10   37 o   76.642   13.788   17.693   5.7290   20.841   8.5275   15.103   7.7345   82.795   19.400   70.488   19.597 12.30737 27.57533 
1 1 1  -32   10   38 o  125.119   9.0030   44.314   6.0050   41.977   9.1184   46.103   7.9798  121.731   13.862  128.506   11.492 -6.775238 18.00595 
1 1 1  -32   10   39 o   39.547   12.514  -1.9676   5.4169  -2.0009   8.4447  -1.9443   7.0611   41.333   18.475   37.760   16.885 3.572475 25.02818 
1 1 1  -32   10   40 o   74.131   14.269   17.122   5.8454   17.344   8.7725   16.946   7.8393   74.303   20.947   73.959   19.381 0.3440933 28.53762 
1 1 1  -32   10   41 o   38.067   12.323  -4.5430   5.8286  -9.2564   8.8366  -0.9130   7.7547   35.469   16.871   40.664   17.966 -5.194717 24.64532 
1 1 1  -32   10   42 o  145.455   8.3479   59.151   6.5394   64.942   9.7319   54.384   8.8299  151.878   11.858  139.033   11.753 12.84424 16.69575 
1 1 1  -32   10   43 f   40.533   12.743  -4.4276   5.8244   4.4506   9.0040 -10.8154   7.6374   50.154   20.636   30.912   14.954 19.24180 25.48506 
1 1 1  -32   10   44 o   64.328   12.003   9.2104   6.2929 -12.3367   9.3331   27.172   8.5213   34.320   16.586   94.336   17.356 -60.01627 24.00632 
1 1 1  -32   10   45 o   71.682   15.205   16.697   6.2987   17.833   9.7211   15.875   8.2694   73.309   22.439   70.055   20.524 3.254662 30.40963 
1 1 1  -32   10   46 o  142.784   8.9138   58.582   6.8516   65.647   10.173   52.716   9.2695  150.692   12.493  134.876   12.719 15.81662 17.82764 
1 1 1  -32   10   47 o   62.089   17.658   10.843   9.2666   5.9842   14.135   14.505   12.271   57.628   24.876   66.550   25.068 -8.922184 35.31538 
1 1 1  -32   10   48 o   99.994   19.753   37.164   11.045   36.329   17.037   37.770   14.506   96.926   29.712  103.062   26.038 -6.135262 39.50643 
1 1 1  -32   10   50 o   84.355   17.700   31.304   10.214   13.788   16.107   43.086   13.210   61.401   26.529  107.310   23.438 -45.90879 35.39962 
1 1 1  -32   10   51 f   49.274   13.853   0.4940   6.6173   15.951   9.8666 -12.1423   8.9212   66.202   22.784   32.345   15.765 33.85680 27.70626 
1 1 1  -32   10   52 o   56.510   15.225   11.188   6.7792   5.8158   9.9836   15.785   9.2346   48.907   21.007   64.114   22.043 -15.20673 30.44975 
1 1 1  -32   11    1 o   41.937   12.461  -0.3078   4.7992   3.9648   7.6274  -3.1079   6.1747   49.297   19.439   34.576   15.598 14.72144 24.92274 
1 1 1  -32   11    2 o  184.900   6.4761   94.023   6.3552   86.204   9.7160   99.870   8.4018  177.984   10.102  191.817   8.1058 -13.83310 12.95224 
1 1 1  -32   11    3 o  328.893   5.8525  293.711   10.347  293.157   15.430  294.164   13.948  328.530   8.6916  329.256   7.8397 -0.7250671 11.70494 
1 1 1  -32   11    4 o  281.104   5.8288  215.527   8.7924  204.545   13.030  224.708   11.914  274.408   8.7871  287.800   7.6608 -13.39233 11.65766 
1 1 1  -32   11    5 o  124.974   8.5584   43.984   5.5925   34.988   8.4476   51.003   7.4617  113.042   13.829  136.906   10.086 -23.86419 17.11679 
1 1 1  -32   11    6 o  151.180   7.3518   60.994   5.9023   68.724   9.4500   56.049   7.5579  158.809   11.012  143.551   9.7433 15.25819 14.70361 
1 1 1  -32   11    7 o  132.622   8.2155   48.811   5.7359   43.761   8.9154   52.378   7.4925  126.502   13.042  138.741   9.9939 -12.23923 16.43104 
1 1 1  -32   11    8 o  149.820   8.4293   61.076   6.8133   57.099   9.3465   65.586   9.9530  144.627   11.959  155.013   11.882 -10.38593 16.85865 
1 1 1  -32   11    9 o   50.429   13.838   1.9411   6.0922  -6.7561   8.7606   10.086   8.4777   38.706   17.879   62.152   21.125 -23.44582 27.67529 
1 1 1  -32   11   10 o  241.088   6.9693  156.907   8.5026  161.847   15.024  154.579   10.313  243.558   11.415  238.618   7.9983 4.940140 13.93859 
1 1 1  -32   11   11 o  158.358   9.1871   68.779   7.8263   67.027   11.543   70.270   10.648  156.380   13.659  160.337   12.290 -3.956299 18.37426 
1 1 1  -32   11   12 o  172.525   8.7308   81.497   8.1293   78.198   11.618   84.662   11.379  169.037   12.719  176.014   11.964 -6.977097 17.46159 
1 1 1  -32   11   13 o   74.533   15.093   15.727   7.0684   5.4009   10.472   24.369   9.5800   57.245   22.712   91.821   19.884 -34.57590 30.18581 
1 1 1  -32   11   14 o  157.268   9.3056   68.013   7.8479   66.104   11.752   69.550   10.543  155.114   14.021  159.421   12.239 -4.306686 18.61125 
1 1 1  -32   11   15 o  190.904   6.7651  100.469   6.8557   91.860   10.462  106.948   9.0759  183.484   10.552  198.325   8.4689 -14.84109 13.53013 
1 1 1  -32   11   16 o   49.980   13.724   3.9984   5.6026  -1.6152   8.7001   7.9758   7.3232   43.817   19.205   56.144   19.611 -12.32726 27.44881 
1 1 1  -32   11   17 o  123.374   9.2532   42.069   6.0597   40.162   9.3749   43.437   7.9417  120.757   14.367  125.992   11.665 -5.234795 18.50637 
1 1 1  -32   11   18 o  138.180   8.3025   52.242   6.0974   52.420   9.5269   52.119   7.9357  138.216   12.756  138.143   10.631 0.7231140E-01 16.60496 
1 1 1  -32   11   19 o  233.377   6.1793  149.235   7.7187  139.980   11.525  156.762   10.394  226.634   9.4107  240.120   8.0108 -13.48607 12.35853 
1 1 1  -32   11   20 o  122.352   9.6327   43.846   5.9549   29.518   9.0664   54.717   7.8970  103.154   16.265  141.549   10.324 -38.39469 19.26539 
1 1 1  -32   11   21 o  111.441   14.239   31.624   6.9367   43.176   15.626   28.789   7.7412  120.700   24.789  102.182   14.020 18.51873 28.47858 
1 1 1  -32   11   22 o  139.982   14.110   57.508   9.6903   50.788   16.347   61.149   12.032  131.344   23.914  148.619   14.983 -17.27460 28.21934 
1 1 1  -32   11   23 o  140.523   12.963   53.454   9.4922   63.108   16.147   48.356   11.734  149.355   20.007  131.691   16.489 17.66356 25.92609 
1 1 1  -32   11   24 o   52.829   13.589   3.9021   5.6164   12.961   8.4657  -3.2196   7.5062   67.309   20.996   38.350   17.258 28.95901 27.17890 
1 1 1  -32   11   25 o  242.012   6.1464  160.614   7.9980  146.425   11.516  173.836   11.117  231.489   9.2059  252.535   8.1465 -21.04570 12.29287 
1 1 1  -32   11   26 o  104.116   14.516   30.832   6.9174   32.950   14.143   30.166   7.9308  103.987   25.390  104.244   14.079 -0.2570419 29.03184 
1 1 1  -32   11   27 f  164.131   10.182   69.658   7.5954   85.158   16.523   65.505   8.5527  173.715   17.602  154.548   10.241 19.16682 20.36437 
1 1 1  -32   11   28 o   90.682   14.189   24.654   6.7469   26.980   9.0512   21.745   10.122   96.234   18.069   85.130   21.882 11.10424 28.37842 
1 1 1  -32   11   29 o   91.638   13.756   25.834   6.7556   34.479   9.1304   15.376   10.042  110.922   15.233   72.354   22.911 38.56813 27.51289 
1 1 1  -32   11   30 o   44.120   13.347   0.6779   5.5992  -0.6162   8.8251   1.5499   7.2440   44.622   19.456   43.617   18.276 1.005020 26.69316 
1 1 1  -32   11   31 o  121.206   9.2256   40.809   5.9966   42.000   9.1069   39.897   7.9677  122.559   13.751  119.854   12.303 2.704460 18.45116 
1 1 1  -32   11   32 o  287.229   6.1034  226.992   9.4263  214.033   13.776  238.404   12.927  279.250   9.1291  295.209   8.1034 -15.95953 12.20681 
1 1 1  -32   11   33 o   60.635   14.579   9.9414   5.6875   13.174   8.8174   7.6384   7.4428   66.810   21.502   54.461   19.693 12.34896 29.15721 
1 1 1  -32   11   34 o  130.359   8.8302   47.904   6.1415   44.220   9.2179   50.844   8.2356  125.410   13.602  135.308   11.264 -9.897858 17.66044 
1 1 1  -32   11   35 o  182.530   9.1363   91.702   9.0115   0.0000   0.0000   91.702   9.0115  ?   ?   182.530   9.1363      ?      ? 
1 1 1  -32   11   36 o   69.373   14.398   14.729   5.7402   13.472   8.8600   15.638   7.5356   66.981   21.553   71.765   19.097 -4.783623 28.79619 
1 1 1  -32   11   37 o   39.885   12.191  -6.3127   5.8302 -21.2980   8.6780   6.0162   7.8713   28.202   14.068   51.567   19.914 -23.36475 24.38246 
1 1 1  -32   11   38 o   68.128   14.709   13.909   5.8282   16.706   9.2376   12.060   7.5121   73.072   21.767   63.183   19.790 9.889248 29.41833 
1 1 1  -32   11   39 o  139.802   8.7244   54.118   6.5087   67.679   9.8995   43.792   8.6383  155.202   11.804  124.403   12.850 30.79928 17.44887 
1 1 1  -32   11   40 o   76.662   14.330   18.570   6.0043   17.336   9.2447   19.470   7.8965   73.877   21.717   79.447   18.704 -5.570068 28.66091 
1 1 1  -32   11   41 o   51.018   14.574   4.9434   6.2714   2.6097   9.3243   6.8711   8.4746   48.573   20.563   53.464   20.659 -4.891106 29.14811 
1 1 1  -32   11   42 o  172.695   7.6238   84.435   7.0232   77.481   10.521   90.023   9.4323  165.621   11.756  179.770   9.7098 -14.14917 15.24756 
1 1 1  -32   11   43 o   55.984   15.031   8.3347   6.2001   9.4550   9.6107   7.5361   8.1145   58.399   22.140   53.569   20.335 4.830070 30.06112 
1 1 1  -32   11   44 o   65.519   15.132   13.203   6.2055   17.847   9.4823   9.7234   8.2070   73.593   22.083   57.445   20.693 16.14786 30.26357 
1 1 1  -32   11   45 o   46.533   13.939   3.0498   6.1315   0.2412   9.3370   5.1793   8.1302   44.355   19.649   48.711   19.775 -4.355328 27.87711 
1 1 1  -32   11   46 o   89.153   17.285   27.678   8.4404   26.579   10.812   29.392   13.505   88.471   22.550   89.836   26.203 -1.364708 34.56977 
1 1 1  -32   11   47 o  167.467   12.913   88.666   11.158   69.302   16.930  103.536   14.836  147.169   21.289  187.765   14.622 -40.59648 25.82665 
1 1 1  -32   11   49 o   97.248   16.545   40.784   10.465   15.768   16.255   58.491   13.676   62.973   26.920  131.522   19.243 -68.54894 33.09030 
1 1 1  -32   11   50 o   66.997   17.371   16.825   8.1449   17.485   10.056   15.565   13.887   69.008   23.009   64.986   26.031 4.022560 34.74271 
1 1 1  -32   11   51 f   34.863   11.927 -10.1313   6.8550  -7.4286   9.9341 -12.5882   9.4714   36.933   17.655   32.792   16.039 4.140770 23.85303 
1 1 1  -32   12    1 o   52.714   13.482   6.2506   5.2026   0.9498   8.2783   9.7108   6.6884   46.097   19.437   59.331   18.688 -13.23455 26.96366 
1 1 1  -32   12    2 o  280.623   5.9104  215.492   8.8936  197.966   13.063  230.632   12.142  269.793   8.9606  291.452   7.7096 -21.65933 11.82080 
1 1 1  -32   12    3 o  238.860   6.1981  157.083   7.8919  139.014   11.715  172.095   10.678  225.977   9.5941  251.744   7.8498 -25.76704 12.39619 
1 1 1  -32   12    4 o  257.294   9.1948  180.102   12.784  180.102   12.784   0.0000   0.0000  257.294   9.1948  ?   ?       ?      ? 
1 1 1  -32   12    5 o  138.517   8.1256   53.641   5.8400   47.498   9.3803   57.530   7.4628  131.651   13.186  145.382   9.4995 -13.73082 16.25123 
1 1 1  -32   12    6 o  194.068   6.5437  103.411   6.7592   96.413   10.292  108.720   8.9632  188.106   10.125  200.029   8.2924 -11.92290 13.08749 
1 1 1  -32   12    7 o  277.222   6.7725  207.477   10.042  197.641   13.163  221.171   15.532  269.544   9.0375  284.901   10.089 -15.35617 13.54495 
1 1 1  -32   12    8 o   56.648   14.684   7.1064   5.9530   9.9197   8.6233   4.5450   8.2282   61.851   21.299   51.446   20.220 10.40463 29.36847 
1 1 1  -32   12    9 o  268.401   7.6657  197.273   11.078  185.383   16.026  208.153   15.331  260.491   11.385  276.310   10.268 -15.81979 15.33131 
1 1 1  -32   12   10 o  226.080   7.8320  139.213   9.5101  142.883   14.336  136.329   12.710  228.617   11.604  223.544   10.522 5.072311 15.66403 
1 1 1  -32   12   11 o  143.551   9.8921   57.011   7.5787   54.099   11.485   59.257   10.087  140.065   15.174  147.036   12.695 -6.971497 19.78424 
1 1 1  -32   12   12 o  167.272   8.8325   76.541   7.8767   77.500   12.205   75.856   10.311  167.982   13.446  166.562   11.456 1.419846 17.66493 
1 1 1  -32   12   13 o   44.665   12.899   1.4143   5.2607  -5.7857   8.6321   5.6686   6.6353   39.129   17.955   50.201   18.526 -11.07259 25.79897 
1 1 1  -32   12   14 o  113.599   9.4305   34.783   5.6951   39.121   9.0812   31.971   7.3116  119.216   14.097  107.981   12.531 11.23472 18.86105 
1 1 1  -32   12   15 o   74.218   13.763   16.352   5.5601   13.343   9.0029   18.207   7.0694   68.867   21.680   79.568   16.960 -10.70152 27.52599 
1 1 1  -32   12   16 o  155.525   7.5827   67.221   6.2288   59.697   9.5541   72.784   8.2147  147.611   11.978  163.439   9.3014 -15.82787 15.16530 
1 1 1  -32   12   17 o   87.530   12.297   22.405   5.5447   18.687   8.7724   24.878   7.1552   80.022   20.266   95.038   13.933 -15.01680 24.59306 
1 1 1  -32   12   18 o   70.932   13.390   15.260   5.5853   7.1053   8.7983   20.764   7.2288   56.677   21.250   85.186   16.298 -28.50956 26.77983 
1 1 1  -32   12   19 o  118.709   9.5670   40.100   5.8726   33.533   9.3075   44.444   7.5695  109.979   15.662  127.439   10.992 -17.46020 19.13407 
1 1 1  -32   12   20 o  126.943   8.9852   43.458   6.0446   48.680   9.7372   40.184   7.7100  132.868   13.562  121.017   11.790 11.85144 17.97049 
1 1 1  -32   12   21 o  216.645   10.397  130.658   11.701  127.883   19.283  132.275   14.722  214.037   16.672  219.252   12.426 -5.214798 20.79345 
1 1 1  -32   12   22 o   58.291   17.210   2.4726   8.7825   8.0450   14.559  -0.7149   11.011   66.530   26.653   50.053   21.780 16.47692 34.42013 
1 1 1  -32   12   23 o  160.858   7.8227   72.713   6.6314   57.417   9.7120   86.074   9.0766  144.289   12.456  177.428   9.4670 -33.13828 15.64550 
1 1 1  -32   12   24 o   40.883   12.793  -1.8625   5.5445  -3.0684   8.5389  -0.9835   7.2903   41.357   18.525   40.410   17.649 0.9477386 25.58674 
1 1 1  -32   12   25 o   41.387   12.805  -1.1939   5.4130   0.0374   8.1656  -2.1591   7.2298   44.069   18.965   38.705   17.211 5.364685 25.61055 
1 1 1  -32   12   26 o  132.174   8.6257   48.470   6.0595   46.864   9.3673   49.626   7.9459  130.005   13.334  134.343   10.946 -4.338593 17.25134 
1 1 1  -32   12   27 o   50.171   15.416  -1.1679   6.0979   6.8716   14.315  -2.9503   6.7401   64.146   26.163   36.195   16.315 27.95079 30.83296 
1 1 1  -32   12   28 o  116.859   23.399   41.396   14.261   41.396   14.261   0.0000   0.0000  116.859   23.399  ?   ?       ?      ? 
1 1 1  -32   12   29 o  185.013   8.5696   94.256   8.3937   91.601   10.774   98.356   13.389  182.164   10.945  187.863   13.190 -5.698166 17.13928 
1 1 1  -32   12   30 o  108.140   12.816   34.286   7.1747   36.054   9.4791   31.914   10.978  113.005   15.523  103.276   20.396 9.728737 25.63099 
1 1 1  -32   12   31 o  110.107   10.398   34.759   6.0125   30.921   9.3477   37.468   7.8523  104.216   16.599  115.999   12.527 -11.78382 20.79568 
1 1 1  -32   12   32 o   68.670   14.389   13.455   5.6592   18.229   9.1105   10.457   7.2214   77.210   21.193   60.131   19.470 17.07934 28.77858 
1 1 1  -32   12   33 o  214.075   6.6389  126.084   7.6132  127.443   11.575  125.048   10.107  214.828   9.9712  213.322   8.7678 1.505508 13.27780 
1 1 1  -32   12   34 f  103.992   10.404   29.839   5.7559   38.259   8.9326   23.861   7.5269  116.372   14.205   91.611   15.205 24.76042 20.80792 
1 1 1  -32   12   35 o  102.197   11.194   29.614   6.1502   33.408   9.2588   26.617   8.2277  107.982   15.868   96.410   15.793 11.57202 22.38763 
1 1 1  -32   12   36 o   87.849   13.230   23.205   6.0166   24.735   9.3779   22.135   7.8436   89.787   19.856   85.910   17.491 3.876541 26.46085 
1 1 1  -32   12   37 o  181.349   7.1581   90.952   6.8963   93.411   10.843   89.282   8.9365  182.972   10.967  179.727   9.2017 3.245193 14.31611 
1 1 1  -32   12   38 o   49.078   14.123   3.5776   5.8075   7.3432   9.2925   1.1641   7.4393   55.461   21.576   42.695   18.230 12.76657 28.24685 
1 1 1  -32   12   39 o   65.157   14.740   12.785   5.8242   15.443   8.9895   10.862   7.6458   70.050   21.601   60.265   20.061 9.785011 29.47982 
1 1 1  -32   12   40 o   54.059   14.571   6.9713   5.9507   9.9204   8.8069   4.4937   8.0722   59.194   21.419   48.925   19.759 10.26918 29.14113 
1 1 1  -32   12   41 o  140.977   8.9177   56.084   6.7448   60.162   10.292   53.015   8.9293  145.141   13.123  136.812   12.078 8.328156 17.83537 
1 1 1  -32   12   42 o   62.838   15.087   12.279   6.1884   9.9105   9.2104   14.227   8.3553   58.818   21.803   66.859   20.860 -8.040951 30.17400 
1 1 1  -32   12   43 o   54.089   14.799   7.5022   6.2354   4.8969   9.4090   9.5424   8.3263   50.981   21.049   57.196   20.807 -6.214836 29.59702 
1 1 1  -32   12   44 o   69.211   15.102   15.350   6.2520   21.172   9.7225   11.245   8.1637   78.892   21.986   59.529   20.711 19.36371 30.20442 
1 1 1  -32   12   45 o   44.824   14.614  -4.1788   8.0930  -6.2298   10.620  -1.3385   12.498   41.097   19.220   48.550   22.019 -7.453663 29.22738 
1 1 1  -32   12   46 o  220.317   10.797  138.736   12.634  177.005   20.072  113.626   16.259  244.745   15.177  195.889   15.360 48.85587 21.59351 
1 1 1  -32   12   47 o   60.444   24.879   10.291   13.093   0.0000   0.0000   10.291   13.093  ?   ?    60.444   24.879      ?      ? 
1 1 1  -32   12   48 o   46.128   15.383  -3.7996   9.5596   1.2806   15.634  -6.8333   12.081   51.008   23.675   41.248   19.649 9.760017 30.76640 
1 1 1  -32   12   49 o   60.459   17.346   8.4077   10.446 -11.0743   15.833   23.423   13.900   45.331   21.830   75.586   26.962 -30.25548 34.69148 
1 1 1  -32   12   50 o   38.860   12.850  -3.8995   6.6259  -2.6393   10.130  -4.8417   8.7596   41.079   19.063   36.641   17.237 4.437634 25.70071 
1 1 1  -32   13    1 o  166.230   8.8766   75.211   7.9734   0.0000   0.0000   75.211   7.9734  ?   ?   166.230   8.8766      ?      ? 
1 1 1  -32   13    2 o  105.312   10.540   32.019   5.5885   26.483   8.7742   35.798   7.2491   96.253   17.515  114.372   11.729 -18.11850 21.07959 
1 1 1  -32   13    3 o  232.810   6.2765  149.571   7.7840  129.281   11.464  166.930   10.603  217.781   9.7413  247.839   7.9172 -30.05775 12.55294 
1 1 1  -32   13    4 o  143.827   7.9937   56.002   6.0457   58.942   9.8545   54.228   7.6557  146.646   12.436  141.008   10.047 5.638367 15.98747 
1 1 1  -32   13    5 o  196.994   10.688  105.968   11.377   0.0000   0.0000  105.968   11.377  ?   ?   196.994   10.688      ?      ? 
1 1 1  -32   13    6 o  359.012   8.2166  351.003   15.889  314.640   21.729  392.793   23.294  339.026   11.861  378.997   11.374 -39.97067 16.43319 
1 1 1  -32   13    7 o  156.357   9.2748   67.934   7.6789   62.500   11.829   71.892   10.095  150.603   14.536  162.111   11.524 -11.50797 18.54967 
1 1 1  -32   13    8 o  157.658   9.2191   69.098   7.7098   62.950   11.771   73.716   10.203  151.163   14.411  164.154   11.502 -12.99115 18.43829 
1 1 1  -32   13    9 o  184.620   8.4154   92.808   8.3265   97.320   12.733   89.437   11.006  188.390   12.508  180.851   11.262 7.539246 16.83085 
1 1 1  -32   13   10 o   63.713   14.617   11.461   5.9917   4.5158   10.427   14.885   7.3212   55.711   22.472   71.714   18.699 -16.00280 29.23433 
1 1 1  -32   13   11 o  193.919   6.8617  103.652   7.0590   95.919   10.839  109.349   9.3024  187.379   10.704  200.460   8.5877 -13.08118 13.72346 
1 1 1  -32   13   12 o  117.932   9.8608   39.746   6.0157   31.850   9.3687   45.285   7.8470  107.204   16.173  128.660   11.287 -21.45632 19.72166 
1 1 1  -32   13   13 o  167.703   9.4527   76.665   8.5661   0.0000   0.0000   76.665   8.5661  ?   ?   167.703   9.4527      ?      ? 
1 1 1  -32   13   14 o   89.173   12.287   24.562   5.5937   14.357   8.6838   31.800   7.3130   70.720   21.113  107.626   12.574 -36.90606 24.57397 
1 1 1  -32   13   15 o   48.624   13.707   3.7658   5.3382   2.8103   8.5898   4.3670   6.8138   49.325   20.209   47.923   18.523 1.401844 27.41354 
1 1 1  -32   13   16 o   85.960   13.344   21.510   5.9158   21.073   9.4668   21.790   7.5774   84.754   20.821   87.165   16.695 -2.410942 26.68787 
1 1 1  -32   13   17 o  145.402   8.1451   57.482   6.3305   61.182   9.8135   54.844   8.2847  149.253   12.168  141.551   10.831 7.702377 16.29024 
1 1 1  -32   13   18 o  119.400   9.5135   39.175   5.9775   40.055   9.6552   38.628   7.6115  120.208   14.864  118.591   11.878 1.616890 19.02691 
1 1 1  -32   13   19 o  113.322   12.228   42.473   6.3206   19.870   10.024   57.392   8.1436   81.873   22.129  144.771   10.410 -62.89864 24.45566 
1 1 1  -32   13   20 o  201.897   10.762  114.908   11.317  107.568   18.293  119.459   14.405  195.742   17.295  208.052   12.813 -12.30981 21.52417 
1 1 1  -32   13   21 o  102.960   17.878   31.691   9.5718   34.099   16.045   30.360   11.926  105.053   27.823  100.867   22.458 4.185822 35.75631 
1 1 1  -32   13   22 o  176.924   8.8341   85.454   8.3541   80.324   10.910   92.725   12.989  170.772   11.823  183.077   13.130 -12.30421 17.66829 
1 1 1  -32   13   23 o  100.179   11.150   27.727   5.9431   30.070   9.3981   26.166   7.6717  103.425   16.816   96.933   14.646 6.491737 22.30030 
1 1 1  -32   13   24 o  162.321   7.4533   70.645   6.4551   84.108   10.150   61.500   8.3648  174.950   10.736  149.692   10.341 25.25815 14.90651 
1 1 1  -32   13   25 o   51.071   13.725   3.7210   5.4702   10.767   8.5943  -1.0774   7.0923   62.530   21.270   39.612   17.352 22.91803 27.44963 
1 1 1  -32   13   26 o  110.257   10.311   35.173   5.8361   29.580   9.3987   38.683   7.4454  102.191   17.020  118.322   11.645 -16.13084 20.62254 
1 1 1  -32   13   27 o   58.721   14.493   9.3554   5.6104   7.6859   9.1699   10.354   7.0929   57.275   21.647   60.166   19.276 -2.891247 28.98571 
1 1 1  -32   13   28 o   73.002   16.344   15.866   6.5296   13.173   14.376   16.565   7.3293   71.392   27.075   74.612   18.315 -3.219902 32.68724 
1 1 1  -32   13   29 o   74.266   17.409   13.728   6.7021   22.495   15.715   11.779   7.4097   85.111   28.763   63.420   19.620 21.69085 34.81743 
1 1 1  -32   13   30 o  138.803   10.376   53.997   7.7423   51.075   10.340   57.725   11.680  134.742   14.202  142.863   15.130 -8.121841 20.75125 
1 1 1  -32   13   31 o   44.630   13.321   0.6777   5.8099  -6.0015   9.1964   5.1142   7.4950   39.594   18.299   49.667   19.362 -10.07341 26.64136 
1 1 1  -32   13   32 o  174.602   7.2360   82.823   6.7175   92.386   10.694   76.590   8.6335  182.536   10.842  166.667   9.5863 15.86967 14.47196 
1 1 1  -32   13   33 o   54.935   14.647   6.0408   5.9984   12.116   9.5478   2.0792   7.7099   64.777   22.406   45.093   18.871 19.68483 29.29386 
1 1 1  -32   13   34 o   99.780   12.279   30.267   6.1900   25.006   9.7497   33.820   8.0119   90.134   20.483  109.427   13.549 -19.29254 24.55878 
1 1 1  -32   13   35 o  136.577   8.9731   54.140   6.3666   44.870   9.9068   60.662   8.3099  125.400   14.620  147.755   10.408 -22.35439 17.94625 
1 1 1  -32   13   36 o   89.622   13.410   24.865   6.3080   20.920   9.7915   27.664   8.2476   81.295   21.829   97.948   15.583 -16.65247 26.82019 
1 1 1  -32   13   37 f   43.359   13.168  -0.3741   5.9582  -8.6883   9.4934   5.0293   7.6531   37.607   17.769   49.111   19.438 -11.50407 26.33519 
1 1 1  -32   13   38 o  166.476   7.8429   77.349   6.8919   78.963   11.025   76.313   8.8298  167.279   12.197  165.673   9.8631 1.606567 15.68575 
1 1 1  -32   13   39 o   45.357   13.879   0.8418   6.2173   1.6515   9.3206   0.1927   8.3452   47.304   20.307   43.409   18.923 3.895172 27.75751 
1 1 1  -32   13   40 o  148.193   8.6508   61.520   6.8785   69.596   10.515   55.480   9.0939  156.463   12.437  139.923   12.027 16.53976 17.30168 
1 1 1  -32   13   41 o   99.378   13.257   31.707   6.7114   23.923   10.402   37.258   8.7844   85.349   22.306  113.408   14.335 -28.05814 26.51482 
1 1 1  -32   13   42 o  114.665   11.522   38.138   6.7562   53.306   10.508   27.448   8.8214  135.259   14.377   94.072   18.009 41.18700 23.04406 
1 1 1  -32   13   43 o   96.940   13.876   30.111   6.9611   32.526   10.682   28.329   9.1776   99.630   20.524   94.251   18.680 5.379715 27.75202 
1 1 1  -32   13   44 o   97.901   15.077   30.928   8.2116   16.838   10.996   48.694   12.347   70.120   24.057  125.682   18.181 -55.56160 30.15394 
1 1 1  -32   13   45 o  125.530   16.361   53.231   10.589   44.887   15.987   59.752   14.133  112.015   26.776  139.046   18.810 -27.03144 32.72294 
1 1 1  -32   13   46 o   38.237   13.387 -24.3786   10.127 -21.1261   15.225 -26.9595   13.562   40.838   20.049   35.636   17.746 5.201725 26.77436 
1 1 1  -32   13   47 o   57.813   17.791   2.1128   10.969   28.198   17.747 -14.0113   13.953   75.403   29.677   40.224   19.629 35.17953 35.58153 
1 1 1  -32   13   48 o   56.818   16.954   1.1746   9.9000   23.536   15.377 -14.6554   12.938   74.581   28.067   39.055   19.025 35.52576 33.90717 
1 1 1  -32   13   49 o   82.425   15.234   24.570   7.0172   32.449   10.425   18.044   9.4884   95.754   20.748   69.096   22.312 26.65897 30.46787 
1 1 1  -32   14    1 o   58.325   13.944   9.0842   5.2336   7.0466   8.3057   10.426   6.7400   55.764   20.697   60.887   18.692 -5.122795 27.88884 
1 1 1  -32   14    2 o   53.718   14.243   6.2012   5.6794   3.3193   8.6297   8.4032   7.5432   50.199   20.375   57.237   19.909 -7.037113 28.48669 
1 1 1  -32   14    3 o  174.807   8.3043   84.195   7.7876   78.626   11.481   88.941   10.599  169.251   12.553  180.363   10.875 -11.11282 16.60852 
1 1 1  -32   14    4 o  163.930   8.5915   73.959   7.4970   72.027   11.560   75.360   9.8487  161.856   13.218  166.005   10.979 -4.148819 17.18295 
1 1 1  -32   14    5 f  285.334   7.5970  222.613   11.662  221.667   17.297  223.401   15.792  284.621   11.246  286.047   10.217 -1.426392 15.19400 
1 1 1  -32   14    6 o  128.315   10.760   45.773   7.2384   44.459   11.646   46.599   9.2398  126.432   17.047  130.197   13.133 -3.764694 21.51903 
1 1 1  -32   14    7 o   39.633   12.832  -4.5883   5.7672  -6.3446   10.342  -3.7957   6.9478   43.138   19.742   36.128   16.397 7.010040 25.66390 
1 1 1  -32   14    8 o   55.499   14.602   3.9966   5.7630   13.680   10.419  -0.2715   6.9174   70.453   23.417   40.544   17.452 29.90944 29.20496 
1 1 1  -32   14    9 o   51.187   14.117   4.8320   5.6510   1.7312   9.1992   6.7112   7.1616   49.193   20.602   53.181   19.304 -3.987755 28.23318 
1 1 1  -32   14   10 o  182.986   7.1162   91.909   6.9282   88.499   10.668   94.395   9.1109  179.853   10.977  186.118   9.0591 -6.264725 14.23248 
1 1 1  -32   14   11 o   82.742   13.404   20.097   5.7868   18.708   9.1337   21.028   7.4795   79.911   20.910   85.574   16.775 -5.662483 26.80725 
1 1 1  -32   14   12 o   99.396   12.139   30.106   5.9328   20.825   9.4909   36.059   7.6009   84.204   20.945  114.587   12.276 -30.38317 24.27729 
1 1 1  -32   14   13 f   65.678   14.636   11.858   5.6501   13.628   9.3154   10.827   7.1065   69.389   22.076   61.966   19.222 7.422642 29.27187 
1 1 1  -32   14   14 o  138.447   8.6176   51.816   6.3121   56.866   10.191   48.672   8.0401  143.641   13.129  133.254   11.166 10.38690 17.23513 
1 1 1  -32   14   15 o  158.684   7.8165   67.855   6.5132   74.018   10.731   64.261   8.1954  164.058   12.105  153.310   9.8926 10.74797 15.63296 
1 1 1  -32   14   16 o   42.506   13.060  -0.5052   5.4839  -2.9690   9.0773   0.9109   6.8817   42.978   19.186   42.035   17.723 0.9425049 26.11912 
1 1 1  -32   14   17 o   55.398   14.441   7.0253   5.9007   2.5226   9.1494   10.232   7.7209   49.869   20.687   60.927   20.154 -11.05842 28.88101 
1 1 1  -32   14   18 o   79.057   13.631   16.938   5.8761   27.572   9.4752   10.293   7.4904   97.302   18.700   60.812   19.838 36.49037 27.26255 
1 1 1  -32   14   19 o   98.144   18.713   28.654   9.5651   31.554   17.458   27.410   11.434  100.603   29.913   95.685   22.493 4.917931 37.42688 
1 1 1  -32   14   20 o  167.780   12.445   78.751   10.600   81.284   18.547   77.523   12.917  168.575   20.360  166.985   14.315 1.590149 24.88902 
1 1 1  -32   14   21 o   68.303   16.616   12.967   7.4315   14.710   9.5630   10.311   11.808   71.119   22.337   65.486   24.605 5.632797 33.23143 
1 1 1  -32   14   22 o   60.239   13.145   5.8867   5.7959   20.794   9.0055  -4.6543   7.5727   83.639   20.162   36.840   16.872 46.79861 26.29006 
1 1 1  -32   14   23 o  252.862   6.3196  176.128   8.5678  162.419   12.604  187.903   11.682  243.417   9.5827  262.308   8.2414 -18.89102 12.63912 
1 1 1  -32   14   24 o  165.403   7.6159   74.846   6.6744   78.010   10.621   72.782   8.5803  167.984   11.701  162.821   9.7522 5.162430 15.23190 
1 1 1  -32   14   25 o  110.059   11.286   36.144   6.1320   29.099   9.8854   40.551   7.8179   99.156   19.143  120.963   11.961 -21.80669 22.57228 
1 1 1  -32   14   26 o   63.104   14.485   11.623   5.7559   7.9429   9.2345   13.960   7.3607   57.710   21.744   68.499   19.144 -10.78827 28.97063 
1 1 1  -32   14   27 o   66.324   14.301   13.245   5.7614   8.7191   9.0681   16.309   7.4608   58.756   21.662   73.892   18.676 -15.13616 28.60161 
1 1 1  -32   14   28 o   40.698   12.682  -7.5415   5.6885   5.7668   9.4265 -15.1636   7.1339   54.313   21.548   27.082   13.378 27.23071 25.36321 
1 1 1  -32   14   29 o   64.052   16.979   8.2574   6.3937   17.489   15.225   6.2809   7.0450   77.021   28.118   51.083   19.042 25.93746 33.95886 
1 1 1  -32   14   30 o  165.816   12.169   90.109   8.2407   60.946   17.346   98.609   9.3649  142.348   22.551  189.284   9.1559 -46.93626 24.33887 
1 1 1  -32   14   31 o  166.664   9.0716   78.485   8.0604   82.592   10.754   73.221   12.176  172.247   11.554  161.080   13.989 11.16681 18.14322 
1 1 1  -32   14   32 o   78.915   13.105   17.205   6.3106   32.827   9.5493   5.0928   8.4082  106.766   16.552   51.064   20.322 55.70245 26.20987 
1 1 1  -32   14   33 o   58.463   14.927   9.3866   5.9966   8.0690   9.6600   10.213   7.6487   57.535   22.104   59.391   20.066 -1.856369 29.85345 
1 1 1  -32   14   34 o  164.025   7.9949   75.550   6.9080   73.474   10.972   76.914   8.8914  161.504   12.572  166.547   9.8798 -5.043488 15.98987 
1 1 1  -32   14   35 o  174.710   7.7252   83.897   7.1623   92.464   11.455   78.398   9.1775  181.504   11.679  167.915   10.115 13.58821 15.45031 
1 1 1  -32   14   36 o  129.766   9.4824   45.575   6.4569   58.530   10.835   38.441   8.0406  143.053   14.017  116.479   12.775 26.57346 18.96478 
1 1 1  -32   14   37 o   87.670   14.154   23.501   6.4153   26.187   10.420   21.862   8.1411   90.850   21.551   84.490   18.356 6.360008 28.30894 
1 1 1  -32   14   38 o  127.299   9.8450   44.922   6.6602   56.106   10.622   37.677   8.5495  139.862   14.055  114.737   13.789 25.12414 19.68995 
1 1 1  -32   14   39 o   86.067   14.259   22.609   6.4711   30.118   10.276   17.674   8.3305   97.700   20.133   74.435   20.197 23.26572 28.51789 
1 1 1  -32   14   40 f   44.435   13.737   0.4508   6.2668  -2.1092   9.7435   2.2570   8.1841   43.522   19.617   45.347   19.234 -1.825085 27.47350 
1 1 1  -32   14   41 o   54.614   13.655   6.5409   6.2545  -6.9313   9.6938   16.149   8.1865   38.769   18.204   70.459   20.358 -31.69074 27.30991 
1 1 1  -32   14   42 o   37.732   12.592  -6.9648   6.6005  -7.1580   10.262  -6.8285   8.6199   39.473   18.596   35.992   16.983 3.480801 25.18392 
1 1 1  -32   14   43 o   47.163   15.360  -6.8592   9.3567   4.1059   13.579 -16.7725   12.911   55.161   24.090   39.164   19.062 15.99701 30.71926 
1 1 1  -32   14   44 o  111.593   17.575   43.070   10.290   42.500   15.336   43.536   13.876  109.391   26.274  113.797   23.349 -4.405998 35.15012 
1 1 1  -32   14   45 o  169.483   12.111   89.528   10.873   83.581   16.635   93.964   14.367  162.064   18.996  176.902   15.029 -14.83855 24.22205 
1 1 1  -32   14   46 o   37.850   13.328 -25.5402   10.937 -41.7117   18.020 -16.1081   13.762   36.763   18.590   38.936   19.104 -2.172108 26.65630 
1 1 1  -32   14   47 o   47.823   15.855  -3.5760   10.079  -3.6149   16.274  -3.5518   12.837   50.039   23.526   45.607   21.263 4.432125 31.71062 
1 1 1  -32   14   48 o   40.838   13.888  -8.8115   8.3611 -11.8614   10.376  -3.1622   14.121   35.185   17.116   46.492   21.876 -11.30689 27.77610 
1 1 1  -32   15    1 o  279.415   7.5772  213.652   11.396  215.360   16.904  212.230   15.430  280.280   11.161  278.550   10.251 1.729370 15.15441 
1 1 1  -32   15    2 o   62.119   15.151   9.1701   6.2926   15.083   9.7512   4.9504   8.2372   72.431   22.524   51.807   20.270 20.62341 30.30224 
1 1 1  -32   15    3 o   47.895   13.771   3.0889   5.4371   2.3131   9.0605   3.5256   6.7970   49.548   20.572   46.243   18.313 3.304207 27.54260 
1 1 1  -32   15    4 o   32.851   11.113 -10.1192   5.5213 -12.9007   8.7220  -8.2593   7.1322   33.486   16.145   32.217   15.275 1.268642 22.22602 
1 1 1  -32   15    5 o  249.055   7.2230  169.645   9.7089  170.121   13.415  169.122   14.069  249.498   9.9504  248.612   10.473 0.8858948 14.44608 
1 1 1  -32   15    6 o   84.487   19.253   20.860   8.5940   0.0000   0.0000   20.860   8.5940  ?   ?    84.487   19.253      ?      ? 
1 1 1  -32   15    7 o   71.140   14.960   13.293   5.9695   19.957   10.356   9.9770   7.3052   82.139   22.616   60.141   19.590 21.99763 29.92021 
1 1 1  -32   15    8 o  119.498   9.8662   39.573   6.1612   39.114   10.042   39.850   7.8023  118.585   15.671  120.411   11.991 -1.826561 19.73249 
1 1 1  -32   15    9 o  135.894   8.7286   50.261   6.3312   54.352   9.8947   47.426   8.2384  140.378   13.044  131.410   11.602 8.968155 17.45718 
1 1 1  -32   15   10 o  184.831   7.2787   93.672   7.1293   92.748   11.204   94.300   9.2418  183.822   11.279  185.841   9.2029 -2.019028 14.55743 
1 1 1  -32   15   11 o  319.027   6.2901  279.206   10.777  261.069   15.807  294.961   14.733  309.085   9.4643  328.970   8.2877 -19.88501 12.58010 
1 1 1  -32   15   12 o  280.509   8.0747  214.402   12.239   0.0000   0.0000  214.402   12.239  ?   ?   280.509   8.0747      ?      ? 
1 1 1  -32   15   13 o   63.551   15.042   10.694   5.9550   13.514   9.6428   8.9560   7.5713   69.038   22.508   58.064   19.960 10.97427 30.08304 
1 1 1  -32   15   14 o  213.126   6.7246  123.715   7.5475  126.514   12.174  121.967   9.6191  214.797   10.489  211.454   8.4184 3.342438 13.44923 
1 1 1  -32   15   15 o  145.310   8.5400   59.829   6.4844   50.039   10.010   66.909   8.5120  134.343   13.789  156.278   10.080 -21.93529 17.08004 
1 1 1  -32   15   16 o   44.541   13.446  -0.1666   5.6943   3.3351   8.8745  -2.6173   7.4242   50.347   20.575   38.736   17.318 11.61056 26.89271 
1 1 1  -32   15   17 o  137.601   8.9189   51.130   6.4570   57.478   10.634   47.423   8.1267  143.944   13.671  131.259   11.458 12.68472 17.83787 
1 1 1  -32   15   18 o   85.211   19.608   21.515   10.007   21.791   17.301   21.376   12.266   86.258   30.143   84.164   25.085 2.093613 39.21550 
1 1 1  -32   15   19 o   80.200   18.765   19.639   9.7096   8.7252   17.964   24.144   11.541   71.158   29.198   89.241   23.578 -18.08329 37.52958 
1 1 1  -32   15   20 o   67.461   16.461   12.192   7.6678   17.670   10.384   5.6216   11.371   76.915   23.115   58.007   23.443 18.90865 32.92252 
1 1 1  -32   15   21 o   89.282   12.870   23.451   5.9711   21.468   9.4268   24.779   7.7165   84.581   20.776   93.982   15.194 -9.400742 25.73924 
1 1 1  -32   15   22 o   57.387   14.845   8.0440   5.9001   9.7803   9.3970   6.9141   7.5806   61.236   22.130   53.539   19.793 7.697224 29.69021 
1 1 1  -32   15   23 o  156.227   8.3756   70.719   6.7044   55.106   10.547   81.308   8.6852  140.348   13.906  172.106   9.3390 -31.75745 16.75126 
1 1 1  -32   15   24 o  185.212   7.3854   95.863   7.1536   88.985   11.432  100.289   9.1711  179.162   11.808  191.261   8.8738 -12.09872 14.77077 
1 1 1  -32   15   25 o  105.611   11.462   32.053   6.1621   31.930   10.045   32.126   7.8029  104.038   18.547  107.184   13.472 -3.145554 22.92363 
1 1 1  -32   15   26 o   43.492   13.197   0.2543   5.6689  -4.3111   9.0477   3.2048   7.2736   40.907   18.623   46.076   18.704 -5.168350 26.39419 
1 1 1  -32   15   27 o   54.640   12.531  -1.2704   5.7245   20.335   9.2922 -14.4858   7.2674   81.443   20.984   27.837   13.703 53.60564 25.06193 
1 1 1  -32   15   28 o   92.209   12.836   24.794   6.0392   28.049   9.7875   22.794   7.6742   96.511   19.440   87.908   16.767 8.602715 25.67186 
1 1 1  -32   15   29 o   53.478   14.183   6.4916   5.9464  -0.9035   9.8045   10.795   7.4790   46.091   20.290   60.864   19.821 -14.77256 28.36514 
1 1 1  -32   15   30 o  109.942   15.956   35.399   7.2031   40.090   17.440   34.434   7.9092  109.272   29.040  110.612   13.232 -1.340309 31.91273 
1 1 1  -32   15   31 o   38.128   12.449  -9.1237   6.0633   1.1825   9.5717 -16.0310   7.8360   47.744   20.540   28.511   14.072 19.23282 24.89775 
1 1 1  -32   15   32 o  136.347   11.015   53.374   8.0249   52.855   10.582   54.077   12.310  136.178   14.381  136.516   16.688 -0.3380585 22.02954 
1 1 1  -32   15   33 o  118.024   10.662   39.542   6.6853   42.675   10.606   37.477   8.6115  121.323   16.178  114.726   13.891 6.597298 21.32303 
1 1 1  -32   15   34 o   66.070   13.849   13.609   6.1093   2.7733   9.6154   20.944   7.9114   49.374   20.890   82.767   18.186 -33.39262 27.69709 
1 1 1  -32   15   35 o  147.951   8.6204   60.271   6.7765   70.089   10.856   54.003   8.6742  157.274   12.773  138.627   11.580 18.64720 17.24090 
1 1 1  -32   15   36 o   44.474   13.733  -0.0727   6.0234   2.4322   9.9569  -1.5184   7.5645   49.514   21.115   39.434   17.566 10.07970 27.46631 
1 1 1  -32   15   37 o  142.736   9.4007   57.693   7.1479   61.619   11.219   55.010   9.2739  146.231   14.198  139.240   12.326 6.991135 18.80140 
1 1 1  -32   15   38 o  195.827   7.5924  106.417   7.9560  117.690   12.333   98.381   10.412  204.280   11.173  187.374   10.284 16.90610 15.18481 
1 1 1  -32   15   39 o   56.009   14.974   5.8097   6.6602   16.132   10.384  -1.4042   8.6810   70.169   23.380   41.850   18.717 28.31979 29.94901 
1 1 1  -32   15   40 o   94.105   14.050   27.444   6.8298   36.186   10.967   21.906   8.7291  106.184   19.843   82.026   19.897 24.15735 28.10095 
1 1 1  -32   15   41 o   90.808   13.534   23.863   6.9615   47.567   11.322   9.4523   8.8274  125.105   16.748   56.511   21.266 68.59396 27.06868 
1 1 1  -32   15   42 o   59.000   17.413   5.8372   9.4916   16.212   14.542  -1.8637   12.529   69.670   27.022   48.330   21.968 21.34066 34.82521 
1 1 1  -32   15   43 o  126.373   15.570   50.675   10.235   66.486   15.887   39.459   13.381  145.007   20.275  107.740   23.634 37.26784 31.13917 
1 1 1  -32   15   44 o  120.323   16.339   52.980   10.167   34.887   14.918   68.671   13.893   92.989   27.653  147.657   17.412 -54.66810 32.67765 
1 1 1  -32   15   45 o   77.676   17.913   27.136   11.045   2.7725   18.653   40.293   13.707   54.423   25.458  100.928   25.207 -46.50461 35.82652 
1 1 1  -32   15   46 o   55.457   17.075   3.7435   10.657 -12.9167   16.248   16.324   14.119   45.006   21.782   65.908   26.301 -20.90240 34.14977 
1 1 1  -32   15   47 f   85.834   17.849   30.881   9.0689   35.286   12.216   25.473   13.536   95.647   23.746   76.020   26.656 19.62661 35.69894 
1 1 1  -32   16    1 o   64.865   14.468   11.317   5.6178   15.658   9.0048   8.5510   7.1883   73.017   21.424   56.713   19.451 16.30358 28.93692 
1 1 1  -32   16    2 o  276.453   8.2735  208.417   12.359   0.0000   0.0000  208.417   12.359  ?   ?   276.453   8.2735      ?      ? 
1 1 1  -32   16    3 o  148.051   8.5019   61.429   6.5738   55.884   10.475   65.032   8.4437  142.031   13.648  154.070   10.142 -12.03906 17.00389 
1 1 1  -32   16    4 o  183.040   8.1938   92.034   8.0915   85.055   11.229   99.572   11.670  175.766   11.823  190.314   11.348 -14.54897 16.38754 
1 1 1  -32   16    5 o  106.392   12.073   32.066   6.7574   36.644   9.8647   28.018   9.2753  114.496   15.944   98.288   18.132 16.20789 24.14519 
1 1 1  -32   16    6 o   73.756   14.799   15.991   6.0634   15.721   9.8670   16.155   7.6858   73.384   22.631   74.128   19.076 -0.7442322 29.59833 
1 1 1  -32   16    7 o  208.902   7.7834  117.343   8.2766  127.387   14.614  112.601   10.042  214.819   12.590  202.985   9.1554 11.83388 15.56684 
1 1 1  -32   16    8 o  203.761   7.1373  115.486   7.6774  104.385   11.866  123.480   10.069  194.862   11.269  212.661   8.7622 -17.79866 14.27467 
1 1 1  -32   16    9 o  208.271   10.508  118.990   11.826  118.990   11.826   0.0000   0.0000  208.271   10.508  ?   ?       ?      ? 
1 1 1  -32   16   10 o  240.508   6.6097  159.982   8.4836  142.767   12.573  174.369   11.494  228.220   10.195  252.795   8.4144 -24.57503 13.21933 
1 1 1  -32   16   11 o  237.516   6.5747  153.097   8.3380  161.762   12.966  146.987   10.888  243.019   9.8738  232.012   8.6843 11.00731 13.14949 
1 1 1  -32   16   12 o  110.110   10.536   32.371   6.1326   41.702   9.9905   26.730   7.7685  122.253   15.123   97.967   14.675 24.28674 21.07256 
1 1 1  -32   16   13 o   60.603   14.797   9.7837   5.7731   9.9938   9.3736   9.6553   7.3278   62.040   22.140   59.165   19.637 2.875664 29.59353 
1 1 1  -32   16   14 o  225.620   6.6889  139.591   8.0518  137.785   12.363  140.922   10.611  224.108   10.209  227.132   8.6451 -3.023956 13.37786 
1 1 1  -32   16   15 o   71.284   14.896   13.951   6.0276   19.762   9.9855   10.620   7.5603   81.170   22.149   61.397   19.925 19.77326 29.79260 
1 1 1  -32   16   16 o   72.253   14.849   14.267   6.0572   20.989   10.055   10.438   7.5885   83.530   21.980   60.975   19.971 22.55470 29.69754 
1 1 1  -32   16   17 o  147.386   16.027   66.006   11.425   58.896   19.726   69.595   14.015  137.709   27.472  157.063   16.513 -19.35449 32.05305 
1 1 1  -32   16   18 o   89.651   19.159   25.171   9.7790   22.613   17.405   26.351   11.821   86.527   30.233   92.775   23.541 -6.248787 38.31761 
1 1 1  -32   16   19 o   56.069   15.960   1.8478   7.7007  -5.2098   9.7942   13.275   12.463   42.141   19.258   69.996   25.457 -27.85489 31.92069 
1 1 1  -32   16   20 o   57.267   14.607   8.4316   5.9286   4.3286   9.4666   11.079   7.6046   52.477   21.325   62.057   19.968 -9.580059 29.21433 
1 1 1  -32   16   21 o   82.624   13.991   20.591   6.0760   19.761   9.6727   21.132   7.8089   80.614   21.717   84.635   17.646 -4.020554 27.98271 
1 1 1  -32   16   22 o  136.180   8.9030   48.799   6.3635   68.432   10.431   37.159   8.0314  156.898   12.303  115.463   12.872 41.43462 17.80607 
1 1 1  -32   16   23 o  126.465   9.5760   43.571   6.3835   50.319   10.493   39.606   8.0432  133.691   14.525  119.238   12.483 14.45247 19.15197 
1 1 1  -32   16   24 o   41.670   19.048  -4.8734   9.5884  -4.8734   9.5884   0.0000   0.0000   41.670   19.048  ?   ?       ?      ? 
1 1 1  -32   16   25 o   71.999   14.115   13.272   6.1315   26.782   9.9765   5.0715   7.7727   93.913   20.254   50.085   19.663 43.82873 28.22902 
1 1 1  -32   16   26 o   49.258   13.420   2.3982   6.0910 -11.0778   9.7541   11.012   7.7983   36.955   17.618   61.562   20.249 -24.60704 26.84085 
1 1 1  -32   16   27 o   87.620   13.857   22.513   6.3065   28.096   10.091   18.934   8.0787   96.206   20.060   79.034   19.124 17.17188 27.71472 
1 1 1  -32   16   28 o   61.588   15.225   10.637   6.1406   11.548   9.7714   10.043   7.8941   63.768   22.621   59.408   20.383 4.360485 30.44948 
1 1 1  -32   16   29 o  221.864   6.8266  135.654   8.0846  139.204   12.507  133.106   10.596  223.976   10.334  219.753   8.9233 4.223099 13.65315 
1 1 1  -32   16   30 o   65.876   15.195   11.715   6.3322   19.695   10.164   6.6525   8.0953   78.844   22.655   52.908   20.256 25.93547 30.39047 
1 1 1  -32   16   31 o   73.043   17.663   10.179   7.2674   32.140   16.502   4.8947   8.0947   96.276   29.187   49.811   19.902 46.46453 35.32661 
1 1 1  -32   16   32 o   46.849   14.005  -1.3613   6.2972   9.0117   10.276  -7.5992   7.9687   59.216   22.786   34.482   16.288 24.73387 28.00905 
1 1 1  -32   16   33 o   69.082   17.105   13.273   8.0055   7.4722   10.341   21.950   12.647   56.896   22.571   81.267   25.709 -24.37117 34.21049 
1 1 1  -32   16   34 o   51.078   14.104   2.1974   6.0271   13.166   9.7762  -4.5279   7.6550   65.760   22.676   36.395   16.777 29.36558 28.20771 
1 1 1  -32   16   35 o   64.182   14.573   12.984   6.2445   4.8054   10.218   17.859   7.8892   52.779   21.875   75.586   19.260 -22.80710 29.14540 
1 1 1  -32   16   36 o   66.676   15.265   14.413   6.5763   8.5227   10.583   18.119   8.3938   58.011   22.890   75.340   20.203 -17.32886 30.53029 
1 1 1  -32   16   37 o  140.468   9.6525   56.282   7.2716   61.150   11.131   52.658   9.6042  145.381   14.169  135.555   13.112 9.825546 19.30491 
1 1 1  -32   16   38 o   59.391   15.407   10.336   6.8088   4.5654   10.512   14.507   8.9369   51.998   21.913   66.785   21.663 -14.78701 30.81302 
1 1 1  -32   16   39 f  127.979   10.808   46.670   7.2357   66.808   11.520   33.547   9.2990  150.643   14.151  105.315   16.340 45.32792 21.61625 
1 1 1  -32   16   40 f   62.604   17.508   11.691   8.6977   11.583   11.363   11.845   13.516   61.778   23.908   63.430   25.585 -1.651711 35.01677 
1 1 1  -32   16   41 o  216.019   10.640  138.015   12.374  126.464   17.585  149.347   17.417  206.122   15.788  225.915   14.267 -19.79309 21.27919 
1 1 1  -32   16   42 o   59.761   17.962   7.9890   10.127   11.205   14.910   5.2342   13.799   63.330   26.350   56.192   24.416 7.138214 35.92352 
1 1 1  -32   16   43 o   59.954   16.794   12.544   7.8505   12.191   13.880   12.709   9.5193   60.013   25.229   59.894   22.172 0.1191673 33.58769 
1 1 1  -32   16   44 o   65.780   16.717   17.365   8.9434  -2.9797   18.426   23.635   10.229   51.850   24.574   79.710   22.671 -27.85998 33.43451 
1 1 1  -32   16   45 o   54.830   17.425   4.4691   10.345   9.9054   17.237   1.4086   12.933   60.188   26.679   49.471   22.422 10.71721 34.84940 
1 1 1  -32   16   46 o   87.355   20.681   35.704   11.334   45.428   18.008   29.324   14.586   95.281   30.735   79.429   27.681 15.85261 41.36243 
1 1 1  -32   17    1 o   99.766   11.135   28.445   5.7618   27.052   8.8399   29.473   7.5973   96.522   17.597  103.009   13.649 -6.486649 22.26977 
1 1 1  -32   17    2 o   67.434   13.251   10.327   5.8563   24.842   9.1652   0.3120   7.6132   91.909   19.079   42.959   18.395 48.95089 26.50232 
1 1 1  -32   17    3 o  143.474   8.6034   56.324   6.6332   61.867   10.049   52.044   8.8305  149.605   12.430  137.344   11.898 12.26045 17.20680 
1 1 1  -32   17    4 o   58.965   13.870   6.7222   6.3503   17.796   8.7565  -5.5631   9.2230   77.363   20.585   40.567   18.594 36.79610 27.73997 
1 1 1  -32   17    5 o  109.001   15.944   33.321   9.3908   33.321   9.3908   0.0000   0.0000  109.001   15.944  ?   ?       ?      ? 
1 1 1  -32   17    6 o  217.697   7.6916  126.136   8.5327  142.905   15.165  118.367   10.322  227.398   12.341  207.996   9.1834 19.40216 15.38317 
1 1 1  -32   17    7 o  183.949   7.5466   94.115   7.3936   84.476   11.066  101.887   9.9373  175.024   11.700  192.873   9.5348 -17.84912 15.09327 
1 1 1  -32   17    8 o  195.128   7.3314  102.208   7.6223  118.900   12.075   91.152   9.8275  207.958   10.746  182.299   9.9763 25.65829 14.66287 
1 1 1  -32   17    9 o  161.023   8.0290   72.182   6.8462   67.325   10.589   75.670   8.9741  155.968   12.564  166.077   9.9998 -10.10823 16.05803 
1 1 1  -32   17   10 o   43.108   13.423  -2.7297   6.0445   2.3219   9.5403  -6.1173   7.8127   50.159   20.992   36.056   16.735 14.10304 26.84635 
1 1 1  -32   17   11 o  119.025   10.405   39.012   6.6043   43.199   10.387   36.172   8.5563  124.089   15.491  113.961   13.894 10.12810 20.80958 
1 1 1  -32   17   12 o   66.850   13.154   8.8865   6.0364   26.180   9.5533  -2.6070   7.7882   94.064   19.438   39.636   17.727 54.42755 26.30755 
1 1 1  -32   17   13 o  157.067   8.4717   68.534   7.0648   66.770   10.981   69.780   9.2283  154.968   13.113  159.167   10.730 -4.198547 16.94331 
1 1 1  -32   17   14 o  128.872   9.6169   45.412   6.5932   51.456   10.492   41.468   8.4755  135.600   14.319  122.144   12.841 13.45686 19.23389 
1 1 1  -32   17   15 o  121.133   10.155   39.796   6.5032   47.597   10.625   35.124   8.2235  130.087   15.115  112.179   13.566 17.90787 20.31023 
1 1 1  -32   17   16 o   90.829   20.404   24.288   10.539   32.207   19.301   20.923   12.580   99.214   31.800   82.445   25.575 16.76913 40.80779 
1 1 1  -32   17   17 o   95.327   19.783   25.811   10.661   42.050   18.372   17.568   13.090  113.736   29.605   76.918   26.249 36.81860 39.56602 
1 1 1  -32   17   18 o   52.615   15.911   0.6533   7.8826  -2.6122   10.028   5.9347   12.753   45.155   20.161   60.075   24.620 -14.92017 31.82169 
1 1 1  -32   17   19 o  149.298   8.7857   64.184   6.7858   52.543   10.637   72.172   8.8116  136.738   14.396  161.857   10.075 -25.11954 17.57144 
1 1 1  -32   17   20 o   66.323   14.682   13.210   5.9374   9.7627   9.4144   15.486   7.6507   60.857   22.127   71.789   19.304 -10.93139 29.36376 
1 1 1  -32   17   21 o  161.270   8.0417   71.349   6.9383   78.090   10.756   66.544   9.0802  167.521   11.882  155.020   10.840 12.50111 16.08345 
1 1 1  -32   17   22 o   64.460   14.148   12.356   6.1880   1.8976   10.011   18.823   7.8719   49.878   21.219   79.043   18.719 -29.16439 28.29559 
1 1 1  -32   17   23 o  129.267   10.891   52.085   6.6667   33.583   10.547   64.395   8.6032  105.991   19.119  152.543   10.437 -46.55164 21.78223 
1 1 1  -32   17   24 o  104.215   14.418   30.721   8.1194   0.0000   0.0000   30.721   8.1194  ?   ?   104.215   14.418      ?      ? 
1 1 1  -32   17   25 o   74.759   14.513   15.828   6.1133   24.604   9.8628   10.353   7.7904   89.471   20.795   60.047   20.251 29.42345 29.02684 
1 1 1  -32   17   26 o  103.437   11.429   29.906   6.2533   35.037   10.179   26.795   7.9250  109.979   17.129   96.895   15.136 13.08406 22.85798 
1 1 1  -32   17   27 o  110.250   11.604   33.088   6.5301   47.900   10.934   24.877   8.1413  129.126   15.671   91.374   17.118 37.75217 23.20762 
1 1 1  -32   17   28 o   86.443   13.837   21.652   6.2102   30.212   10.225   16.649   7.8173   99.356   19.740   73.530   19.395 25.82638 27.67377 
1 1 1  -32   17   29 o   55.560   15.170   7.2839   6.2437   8.5699   10.481   6.5764   7.7737   58.973   22.922   52.147   19.877 6.825882 30.34033 
1 1 1  -32   17   30 o  111.016   14.061   35.233   8.4352   0.0000   0.0000   35.233   8.4352  ?   ?   111.016   14.061      ?      ? 
1 1 1  -32   17   31 o   53.474   15.062   5.4371   6.3690   9.7349   10.536   2.9621   7.9953   60.509   23.123   46.439   19.307 14.07002 30.12334 
1 1 1  -32   17   32 o   46.894   15.260  -2.6125   6.9797  -2.9167   16.266  -2.5438   7.7273   55.093   25.038   38.696   17.453 16.39636 30.52034 
1 1 1  -32   17   33 o   74.047   15.384   17.792   6.5144   15.470   10.850   19.100   8.1460   69.908   23.898   78.187   19.378 -8.279251 30.76761 
1 1 1  -32   17   34 o   61.523   15.787   8.5299   8.0358   20.234   10.894  -5.4392   11.902   77.972   23.732   45.075   20.827 32.89717 31.57466 
1 1 1  -32   17   35 f   55.944   15.345   7.7232   6.4906   10.391   10.464   6.0547   8.2747   60.637   23.074   51.252   20.235 9.385357 30.68988 
1 1 1  -32   17   36 o   47.331   14.306   2.5270   6.4394  -0.2877   10.566   4.1902   8.1220   46.811   20.812   47.851   19.634 -1.039631 28.61138 
1 1 1  -32   17   37 o  101.600   13.908   34.044   7.1797   28.338   11.511   37.678   9.1852   90.565   23.366  112.635   15.091 -22.06958 27.81623 
1 1 1  -32   17   38 o   87.163   15.228   23.859   7.2195   36.997   11.670   15.714   9.1887  105.986   21.119   68.339   21.945 37.64667 30.45643 
1 1 1  -32   17   39 o   41.034   14.084 -16.9167   9.7898 -20.5833   13.715 -13.1081   13.978   38.922   19.092   43.145   20.709 -4.222950 28.16702 
1 1 1  -32   17   40 o  290.664   11.071  202.421   15.134  107.410   17.805  449.775   28.729  187.840   17.542  393.487   13.512 -205.6464 22.14231 
1 1 1  -32   17   41 o  128.382   15.196   54.573   10.227   65.135   15.365   46.171   13.704  141.316   20.121  115.448   22.777 25.86826 30.39112 
1 1 1  -32   17   42 o   50.994   14.827   6.5445   7.1662  -2.5565   11.410   12.473   9.2091   43.181   20.103   58.807   21.801 -15.62589 29.65465 
1 1 1  -32   17   43 o   57.989   16.837   10.575   8.2552   1.0991   18.282   13.002   9.2521   54.875   25.514   61.103   21.976 -6.227657 33.67311 
1 1 1  -32   17   44 o   64.374   18.634   15.682   11.632  -1.9759   19.919   24.820   14.329   53.319   25.351   75.429   27.318 -22.10946 37.26857 
1 1 1  -32   17   45 o   63.293   17.992   17.018   10.609   1.9788   18.329   24.595   13.009   52.435   24.748   74.150   26.122 -21.71429 35.98423 
1 1 1  -32   18    1 o   76.555   14.383   17.651   5.9909   17.060   9.4237   18.052   7.7612   75.236   21.872   77.874   18.683 -2.637230 28.76511 
1 1 1  -32   18    2 o   65.961   15.032   12.655   6.0800   11.818   9.2501   13.291   8.0675   64.782   22.066   67.140   20.420 -2.357979 30.06446 
1 1 1  -32   18    3 o   73.074   15.207   16.130   6.5076   18.966   8.7823   12.676   9.6907   79.414   20.368   66.734   22.586 12.67996 30.41339 
1 1 1  -32   18    4 o  168.070   8.0278   79.015   7.1956   69.628   10.624   86.971   9.7804  158.365   12.415  177.775   10.181 -19.40974 16.05569 
1 1 1  -32   18    5 o   68.823   15.296   13.995   6.3043   12.919   9.9238   14.723   8.1631   67.346   22.856   70.301   20.333 -2.954514 30.59149 
1 1 1  -32   18    6 o   68.063   14.897   13.593   5.9948   14.091   9.1770   13.222   7.9176   69.180   21.901   66.947   20.199 2.232956 29.79401 
1 1 1  -32   18    7 o   75.944   14.868   16.699   6.2671   21.782   9.9081   13.308   8.0913   84.722   21.582   67.167   20.454 17.55428 29.73515 
1 1 1  -32   18    8 o   62.543   14.756   9.8015   6.0104   16.774   9.4443   5.0556   7.7919   74.623   21.954   50.462   19.723 24.16098 29.51205 
1 1 1  -32   18    9 o   99.701   12.455   28.801   6.4384   28.688   10.054   28.880   8.3830   98.171   19.638  101.230   15.325 -3.058807 24.90981 
1 1 1  -32   18   10 o   88.660   13.734   23.789   6.4318   19.592   10.063   26.688   8.3630   80.186   22.375   97.135   15.933 -16.94945 27.46807 
1 1 1  -32   18   11 o   54.140   15.015   5.7884   6.2965   7.1387   9.9775   4.8948   8.1169   57.509   22.362   50.772   20.042 6.736382 30.02905 
1 1 1  -32   18   12 o  124.422   9.9563   42.262   6.6068   52.241   10.321   35.334   8.5998  136.577   13.984  112.267   14.176 24.30917 19.91268 
1 1 1  -32   18   13 o  129.853   9.9625   48.623   6.7499   40.308   10.395   54.685   8.8754  119.244   16.133  140.462   11.693 -21.21864 19.92493 
1 1 1  -32   18   14 o   82.659   18.713   19.126   7.6638   23.266   19.457   18.366   8.3378   87.203   31.794   78.115   19.743 9.088257 37.42512 
1 1 1  -32   18   15 o  140.605   15.841   55.622   11.644   71.734   19.776   47.072   14.406  154.633   23.668  126.578   21.061 28.05461 31.68173 
1 1 1  -32   18   16 o  140.956   16.845   58.415   11.609   66.486   21.050   54.887   13.916  144.208   28.022  137.704   18.702 6.504059 33.69013 
1 1 1  -32   18   17 o   48.519   14.386   1.0078   6.4962   6.7473   9.8265  -3.4479   8.6581   56.314   22.109   40.725   18.411 15.58932 28.77112 
1 1 1  -32   18   18 o  201.299   9.2462  111.524   10.058   0.0000   0.0000  111.524   10.058  ?   ?   201.299   9.2462      ?      ? 
1 1 1  -32   18   19 o   69.271   13.800   10.377   6.1339   27.713   10.269   0.7597   7.6484   95.412   20.526   43.131   18.452 52.28090 27.60066 
1 1 1  -32   18   20 o   37.790   12.439  -6.2636   6.0293  -6.9659   9.6309  -5.8110   7.7319   39.821   18.516   35.759   16.615 4.061905 24.87717 
1 1 1  -32   18   21 o  206.895   10.940  118.795   12.231  118.795   12.231   0.0000   0.0000  206.895   10.940  ?   ?       ?      ? 
1 1 1  -32   18   22 f  223.807   6.9438  134.705   8.2477  158.181   13.278  119.958   10.524  239.023   10.281  208.592   9.3367 30.43092 13.88759 
1 1 1  -32   18   23 o  111.183   11.202   34.383   6.5873   40.794   10.738   30.515   8.3413  118.874   16.716  103.492   14.916 15.38258 22.40346 
1 1 1  -32   18   24 o  127.925   9.7501   45.306   6.6528   53.306   10.487   39.918   8.6061  136.994   14.167  118.855   13.400 18.13940 19.50026 
1 1 1  -32   18   25 o  102.182   12.626   31.188   6.6061   29.962   10.524   31.986   8.4865   98.602   20.423  105.762   14.849 -7.159340 25.25118 
1 1 1  -32   18   26 o   51.460   14.579   5.2524   6.1585   3.9699   9.3494   6.2354   8.1851   50.698   20.961   52.221   20.268 -1.522675 29.15785 
1 1 1  -32   18   27 o   64.272   15.200   10.685   6.4575   19.892   10.292   4.7083   8.2928   78.762   22.847   49.781   20.054 28.98152 30.39969 
1 1 1  -32   18   28 o   90.686   13.785   28.000   6.9022   12.047   10.745   39.208   9.0061   64.385   23.604  116.987   14.246 -52.60226 27.56979 
1 1 1  -32   18   29 o   31.732   10.950 -14.3935   6.1691 -21.1779   9.8549 -10.0217   7.9109   31.075   15.416   32.388   15.555 -1.312860 21.90020 
1 1 1  -32   18   30 o   47.829   14.166   2.3022   6.4410  -4.8175   10.492   6.6089   8.1598   43.093   19.782   52.565   20.283 -9.471634 28.33191 
1 1 1  -32   18   31 o   55.884   15.119   8.0069   6.4840   3.9710   10.520   10.479   8.2337   52.184   21.953   59.584   20.796 -7.400066 30.23856 
1 1 1  -32   18   32 o   50.160   14.790   1.7065   6.5772   10.369   11.123  -2.9507   8.1559   61.263   23.669   39.057   17.742 22.20660 29.58050 
1 1 1  -32   18   33 o   64.101   17.606   11.620   7.6538   8.1441   18.275   12.360   8.4286   65.210   28.216   62.992   21.065 2.218262 35.21249 
1 1 1  -32   18   34 o   48.400   14.038   1.6785   6.7963 -11.9597   11.007   10.081   8.6399   38.355   18.401   58.446   21.205 -20.09051 28.07599 
1 1 1  -32   18   35 o  103.229   15.375   36.376   8.4398   45.050   11.422   25.946   12.525  121.472   17.401   84.985   25.353 36.48671 30.75046 
1 1 1  -32   18   36 o   38.553   12.905  -8.1248   6.9483  -4.5350   10.944 -10.5489   8.9933   42.936   19.886   34.169   16.454 8.767357 25.81074 
1 1 1  -32   18   37 o  104.382   17.023   36.945   9.4251   30.028   12.611   45.698   14.186   92.409   24.756  116.356   23.374 -23.94701 34.04684 
1 1 1  -32   18   38 o  213.711   15.470  116.952   12.725   28.626   15.101  333.333   23.635   87.435   28.138  339.986   12.865 -252.5513 30.93959 
1 1 1  -32   18   39 o  128.117   15.918   54.706   10.765   60.721   15.845   49.550   14.670  136.059   21.551  120.175   23.433 15.88390 31.83636 
1 1 1  -32   18   40 o   38.210   13.199 -12.5264   7.8032  -5.5405   14.060 -15.6362   9.3805   45.223   21.443   31.198   15.397 14.02498 26.39828 
1 1 1  -32   18   41 o   52.512   15.406   6.4546   7.0636   12.723   11.444   2.5965   8.9780   60.157   23.782   44.867   19.591 15.29003 30.81216 
1 1 1  -32   18   42 o   45.658   15.431  -5.5726   8.4934  -0.2103   18.437  -7.0170   9.5692   54.120   25.315   37.196   17.652 16.92450 30.86138 
1 1 1  -32   18   43 o   56.675   17.604   9.4540   11.100  -5.6802   20.147   16.050   13.300   50.577   24.424   62.773   25.359 -12.19678 35.20799 
1 1 1  -32   19    1 f  142.964   8.8378   56.566   6.7671   59.782   10.388   54.194   8.9196  146.240   13.145  139.687   11.817 6.553528 17.67554 
1 1 1  -32   19    2 o   88.061   13.118   22.026   6.7352   6.2755   9.0205   41.869   10.125   54.472   21.240  121.649   15.403 -67.17664 26.23696 
1 1 1  -32   19    3 o  162.361   8.9848   73.432   7.8499   72.751   10.610   74.257   11.668  161.749   12.139  162.973   13.249 -1.224182 17.96955 
1 1 1  -32   19    4 o   35.514   11.867  -8.7314   5.9035  -6.5968   9.0187 -10.3317   7.8090   38.736   17.980   32.293   15.494 6.443882 23.73498 
1 1 1  -32   19    5 o   35.317   11.869  -9.5998   5.9896  -7.5811   9.4303 -10.9649   7.7546   38.969   18.187   31.666   15.257 7.302843 23.73864 
1 1 1  -32   19    6 o  111.390   10.767   35.288   6.3890   33.585   9.7378   36.574   8.4660  108.552   16.601  114.228   13.716 -5.675003 21.53409 
1 1 1  -32   19    7 o   92.808   13.451   24.098   6.5751   34.338   10.565   17.625   8.4000  109.278   17.892   76.338   20.090 32.93930 26.90224 
1 1 1  -32   19    8 o   91.571   13.278   24.136   6.2876   31.565   9.9232   19.152   8.1274  103.318   18.451   79.825   19.098 23.49340 26.55513 
1 1 1  -32   19    9 o   45.832   14.040  -0.3098   6.3043   2.7417   10.001  -2.3221   8.1212   51.078   21.441   40.586   18.131 10.49175 28.07931 
1 1 1  -32   19   10 o  149.465   8.9442   62.927   7.1217   58.521   10.778   66.342   9.4878  144.309   13.822  154.621   11.356 -10.31131 17.88843 
1 1 1  -32   19   11 o   49.179   14.438   2.9935   6.3121   0.9202   9.7395   4.4950   8.2883   48.189   20.725   50.169   20.106 -1.979549 28.87501 
1 1 1  -32   19   12 o  164.960   8.4674   77.144   7.3980   66.253   11.071   85.931   9.9443  153.655   13.333  176.265   10.441 -22.60962 16.93471 
1 1 1  -32   19   13 o   93.550   19.019   20.681   8.1375   44.955   20.132   15.941   8.8967  114.790   31.503   72.310   21.318 42.47964 38.03752 
1 1 1  -32   19   14 o   69.310   20.141   5.8554   11.577   21.858   20.688  -1.4394   13.968   84.773   32.400   53.847   23.935 30.92545 40.28209 
1 1 1  -32   19   15 o   88.903   19.592   26.982   11.244   11.734   19.643   34.414   13.714   73.586   30.400  104.220   24.724 -30.63479 39.18457 
1 1 1  -32   19   16 o   59.415   15.215   7.8142   6.6127   15.552   10.050   1.9080   8.7810   71.546   22.949   47.285   19.982 24.26084 30.42912 
1 1 1  -32   19   17 o   56.657   13.899   6.2689   6.2435  -4.8875   9.0623   16.349   8.6141   40.213   18.432   73.101   20.809 -32.88752 27.79836 
1 1 1  -32   19   18 o   99.108   12.598   27.920   6.5084   34.318   10.475   23.896   8.3065  108.734   17.827   89.483   17.805 19.25135 25.19591 
1 1 1  -32   19   19 o  143.253   9.4182   56.972   7.1651   62.427   11.418   53.429   9.2025  148.404   14.239  138.102   12.331 10.30113 18.83635 
1 1 1  -32   19   20 o   96.385   13.797   30.171   6.8192   19.457   10.880   37.102   8.7512   78.427   23.683  114.343   14.163 -35.91614 27.59484 
1 1 1  -32   19   21 o   68.361   15.670   13.821   6.4467   16.648   10.589   12.156   8.1262   73.037   23.569   63.685   20.657 9.351543 31.34006 
1 1 1  -32   19   22 o   46.357   13.972   1.2998   6.2951  -3.6963   10.027   4.5499   8.0875   43.359   19.687   49.354   19.832 -5.995422 27.94433 
1 1 1  -32   19   23 o   53.035   14.757   5.3192   6.2880   10.079   9.5697   1.7030   8.3413   60.484   22.260   45.586   19.380 14.89736 29.51451 
1 1 1  -32   19   24 o   63.228   14.640   8.8483   6.4963   22.054   10.236  -0.0586   8.4063   83.080   22.323   43.377   18.949 39.70323 29.28096 
1 1 1  -32   19   25 o   72.256   15.234   15.087   6.5999   24.504   10.445   8.8281   8.5152   87.543   22.082   56.968   20.993 30.57518 30.46867 
1 1 1  -32   19   26 o   84.280   14.729   22.138   6.6170   24.740   10.161   20.221   8.7191   88.238   21.507   80.321   20.129 7.916573 29.45720 
1 1 1  -32   19   27 o   73.068   15.468   15.651   6.5941   23.695   10.705   10.732   8.3709   85.700   22.740   60.435   20.975 25.26566 30.93609 
1 1 1  -32   19   28 o   69.846   15.435   15.700   6.6284   11.235   10.538   18.624   8.5265   62.768   23.310   76.923   20.239 -14.15485 30.87050 
1 1 1  -32   19   29 o   40.434   12.986  -3.9013   6.3839 -11.1052   10.176   0.7746   8.1980   37.281   17.835   43.587   18.879 -6.305077 25.97111 
1 1 1  -32   19   30 o   53.438   15.169   3.6431   6.8320   13.418   11.157  -2.2214   8.6418   65.902   24.068   40.973   18.471 24.92863 30.33889 
1 1 1  -32   19   31 f   82.378   15.342   21.579   6.8411   25.827   10.781   18.716   8.8512   88.600   22.482   76.155   20.883 12.44500 30.68472 
1 1 1  -32   19   32 o   39.371   12.938  -5.9844   6.7526 -12.6070   10.780  -1.7082   8.6625   37.396   18.010   41.347   18.580 -3.950798 25.87597 
1 1 1  -32   19   33 f   65.975   14.975   14.541   7.0944   1.6364   11.657   22.131   8.9407   49.899   22.038   82.052   20.281 -32.15338 29.94940 
1 1 1  -32   19   34 o   74.348   19.020   17.688   8.5852   27.342   18.127   14.896   9.7478   82.159   30.560   66.537   22.652 15.62174 38.03996 
1 1 1  -32   19   35 o   73.272   18.446   18.475   9.1669   15.063   12.170   22.950   13.938   67.415   25.047   79.129   27.085 -11.71421 36.89144 
1 1 1  -32   19   36 o   98.349   27.206   35.315   14.946   35.315   14.946   0.0000   0.0000   98.349   27.206  ?   ?       ?      ? 
1 1 1  -32   19   37 o  102.627   18.382   37.520   10.221   46.486   15.535   30.676   13.572  113.935   25.828   91.319   26.162 22.61591 36.76320 
1 1 1  -32   19   38 o   47.294   15.163  -6.3460   7.9966   14.347   14.331 -15.7009   9.6360   62.728   25.945   31.860   15.702 30.86756 30.32613 
1 1 1  -32   19   39 o   51.938   14.331   4.6733   7.3409 -13.2748   11.503   17.006   9.5351   36.661   17.876   67.214   22.404 -30.55281 28.66201 
1 1 1  -32   19   40 o  102.445   15.044   36.390   7.9806   35.879   12.210   36.771   10.545   99.691   23.115  105.198   19.260 -5.507553 30.08728 
1 1 1  -32   19   41 o   43.016   14.766  -7.8733   8.8712  -7.5270   18.637  -7.9748   10.087   49.016   23.625   37.016   17.721 11.99992 29.53276 
1 1 1  -32   19   42 o   56.542   17.864   2.7634   10.938   28.514   18.780 -10.4572   13.456   72.457   29.807   40.626   19.701 31.83070 35.72892 
1 1 1  -32   20    1 o   42.185   13.227  -1.6405   5.9943  -1.0052   8.6158  -2.2365   8.3451   43.231   19.026   41.140   18.379 2.091667 26.45317 
1 1 1  -32   20    2 o   69.554   15.772   14.419   6.9351   18.890   9.6377   9.6194   9.9870   78.189   21.925   60.919   22.679 17.27001 31.54416 
1 1 1  -32   20    3 o   66.173   15.211   12.336   6.2887   17.378   9.6617   8.6286   8.2837   75.124   22.234   57.222   20.763 17.90227 30.42151 
1 1 1  -32   20    4 o  239.041   11.829  159.212   15.279  159.212   15.279   0.0000   0.0000  239.041   11.829  ?   ?       ?      ? 
1 1 1  -32   20    5 o   49.037   14.309   3.3124   6.1334   1.9967   9.3580   4.3032   8.1208   48.630   20.594   49.444   19.871 -0.8143730 28.61755 
1 1 1  -32   20    6 o  120.837   10.596   42.369   6.7215   36.047   10.272   47.103   8.8886  111.950   16.980  129.723   12.680 -17.77324 21.19251 
1 1 1  -32   20    7 o  133.215   9.6584   50.054   6.8534   49.303   10.562   50.601   9.0070  131.876   14.822  134.555   12.388 -2.679214 19.31674 
1 1 1  -32   20    8 f   54.962   15.151   5.6684   6.4729   10.699   10.275   2.3586   8.3347   62.989   23.083   46.935   19.630 16.05315 30.30122 
1 1 1  -32   20    9 o   89.766   13.649   24.191   6.4188   27.327   9.4503   21.505   8.7456   95.386   19.002   84.146   19.599 11.23978 27.29825 
1 1 1  -32   20   10 o   56.046   14.511   7.5987   6.0953   1.8293   9.1746   12.157   8.1552   47.983   20.359   64.108   20.683 -16.12571 29.02253 
1 1 1  -32   20   11 o  163.238   8.4917   72.665   7.3666   83.921   11.787   65.451   9.4365  173.105   12.601  153.371   11.386 19.73381 16.98340 
1 1 1  -32   20   12 o   73.171   20.486   6.1462   11.858   31.036   21.622  -4.5586   14.180   94.916   33.652   51.425   23.373 43.49123 40.97257 
1 1 1  -32   20   13 o   66.798   19.404   8.9307   11.521  -4.2297   20.756   14.791   13.850   61.754   28.149   71.841   26.715 -10.08664 38.80774 
1 1 1  -32   20   14 o  140.163   12.610   53.108   9.1461   43.581   11.140   72.815   16.022  122.845   16.781  157.481   18.827 -34.63594 25.22060 
1 1 1  -32   20   15 o  203.469   7.5543  115.802   8.2316  108.004   12.218  122.284   11.139  196.710   11.495  210.229   9.8054 -13.51859 15.10867 
1 1 1  -32   20   16 o   76.568   15.526   18.556   6.8133   15.681   10.331   20.769   9.0640   71.270   23.300   81.866   20.527 -10.59589 31.05210 
1 1 1  -32   20   17 o  111.579   11.443   35.626   6.8494   38.615   10.469   33.389   9.0567  115.358   16.795  107.800   15.548 7.557198 22.88644 
1 1 1  -32   20   18 o   39.321   12.862  -5.6847   6.4441  -9.4365   10.121  -3.1269   8.3570   38.755   18.322   39.888   18.056 -1.133533 25.72343 
1 1 1  -32   20   19 o   45.308   14.169  -1.4187   6.7274   2.0418   10.604  -3.7495   8.7030   50.538   21.677   40.078   18.253 10.45987 28.33821 
1 1 1  -32   20   20 o  139.040   9.9492   54.194   7.3753   61.093   11.630   49.555   9.5383  145.946   14.747  132.133   13.359 13.81271 19.89839 
1 1 1  -32   20   21 o  144.455   9.4504   60.739   7.1391   45.210   10.303   75.080   9.9013  125.182   15.231  163.729   11.191 -38.54656 18.90083 
1 1 1  -32   20   22 o   44.829   13.965  -0.7194   6.4852   1.7443   10.117  -2.4377   8.4493   49.011   21.101   40.647   18.299 8.363823 27.93057 
1 1 1  -32   20   23 o   69.676   14.867   15.628   6.8019   4.9716   10.899   22.427   8.7054   54.297   22.555   85.055   19.374 -30.75844 29.73343 
1 1 1  -32   20   24 o  102.950   13.487   29.751   7.1425   47.440   11.841   19.633   8.9552  127.007   17.253   78.893   20.734 48.11394 26.97377 
1 1 1  -32   20   25 o   92.668   14.214   27.845   6.9692   20.011   10.902   33.258   9.0631   78.332   23.718  107.004   15.674 -28.67265 28.42887 
1 1 1  -32   20   26 o   36.645   12.348  -9.7376   6.6394  -8.5774   10.220 -10.5849   8.7335   39.205   18.496   34.084   16.363 5.120323 24.69518 
1 1 1  -32   20   27 o   35.438   12.108 -14.6926   6.5898  -4.2467   10.737 -21.0051   8.3467   43.688   20.039   27.188   13.598 16.49974 24.21684 
1 1 1  -32   20   28 o   61.141   15.739   10.910   6.7443   13.353   9.9975   8.8696   9.1362   65.304   22.908   56.979   21.590 8.325039 31.47848 
1 1 1  -32   20   29 o   60.323   15.552   10.462   7.0019   3.8130   10.755   15.354   9.2249   51.796   22.013   68.850   21.975 -17.05350 31.10445 
1 1 1  -32   20   30 o   48.907   14.567   2.0614   7.1436  -7.5148   11.042   8.9535   9.3679   41.186   19.368   56.628   21.764 -15.44218 29.13455 
1 1 1  -32   20   31 o  162.079   9.4584   75.308   8.1898   85.793   12.813   68.066   10.649  171.001   13.866  153.158   12.867 17.84329 18.91682 
1 1 1  -32   20   32 o   38.226   12.735  -7.9135   6.9752 -15.4158   10.954  -2.7963   9.0465   35.791   17.450   40.662   18.554 -4.871067 25.47024 
1 1 1  -32   20   33 o   56.963   17.050   6.4609   9.1508   9.2188   12.343   3.0946   13.636   59.558   24.293   54.369   23.932 5.189579 34.10095 
1 1 1  -32   20   34 o  136.982   16.606   64.170   11.517   47.838   17.055   77.860   15.615  114.541   27.830  159.424   18.126 -44.88283 33.21220 
1 1 1  -32   20   35 f   49.696   22.787  -2.0797   13.870   0.0000   0.0000  -2.0797   13.870  ?   ?    49.696   22.787      ?      ? 
1 1 1  -32   20   36 o   49.925   16.112  -0.6410   10.131 -11.6149   14.915   8.7613   13.806   43.309   20.938   56.541   24.495 -13.23253 32.22424 
1 1 1  -32   20   37 o   65.594   16.428   9.3046   8.9721  -8.2852   11.637   35.090   14.089   39.732   19.024   91.456   26.788 -51.72488 32.85626 
1 1 1  -32   20   38 o   61.150   16.429   12.660   7.4666   15.963   11.313   10.110   9.9386   65.756   24.202   56.544   22.223 9.211700 32.85770 
1 1 1  -32   20   39 o   42.263   13.856  -2.5653   7.5137  -1.0711   11.087  -3.8344   10.218   44.114   20.282   40.413   18.884 3.701614 27.71209 
1 1 1  -32   20   40 o   53.959   17.648   5.0101   11.822   11.941   18.753   0.4381   15.230   58.817   26.789   49.102   22.980 9.714775 35.29513 
1 1 1  -32   21    1 o  148.421   9.3789   62.378   7.4927   64.768   10.294   59.685   10.927  151.789   12.550  145.052   13.941 6.736572 18.75783 
1 1 1  -32   21    2 o   51.090   13.487   2.0535   6.2052 -10.8394   8.9934   13.769   8.5727   34.957   16.734   67.223   21.155 -32.26619 26.97327 
1 1 1  -32   21    3 o   64.378   15.471   11.478   6.4933   16.833   10.026   7.6090   8.5219   73.460   22.839   55.295   20.875 18.16551 30.94214 
1 1 1  -32   21    4 o   46.202   13.997   1.1160   6.2301   2.5223   9.1764  -0.0864   8.4854   48.626   20.482   43.778   19.083 4.847923 27.99388 
1 1 1  -32   21    5 o  165.533   8.3660   76.032   7.4482   83.612   11.215   70.051   9.9623  172.764   12.014  158.303   11.646 14.46011 16.73199 
1 1 1  -32   21    6 o   63.431   15.168   11.545   6.5144   5.9031   9.5545   16.447   8.9053   54.044   21.612   72.817   21.289 -18.77275 30.33643 
1 1 1  -32   21    7 o  175.156   10.884   85.418   10.302   0.0000   0.0000   85.418   10.302  ?   ?   175.156   10.884      ?      ? 
1 1 1  -32   21    8 o  116.072   11.003   38.350   6.8320   41.043   10.556   36.409   8.9625  119.172   16.392  112.972   14.682 6.199615 22.00533 
1 1 1  -32   21    9 o  155.188   8.8054   67.143   7.3490   73.639   11.073   62.028   9.8249  161.735   12.669  148.640   12.232 13.09479 17.61085 
1 1 1  -32   21   10 o   64.920   19.213   7.4991   11.621  -5.6667   20.626   13.622   14.066   60.057   27.630   69.782   26.705 -9.725521 38.42624 
1 1 1  -32   21   11 o   89.752   21.750   23.537   12.507   43.514   21.745   13.662   15.288  108.835   33.601   70.670   27.625 38.16581 43.49917 
1 1 1  -32   21   12 o   93.946   22.294   30.320   12.616   32.523   23.806   29.459   14.876   94.437   35.043   93.455   27.570 0.9812851 44.58839 
1 1 1  -32   21   13 o  175.237   10.865   85.653   10.288   0.0000   0.0000   85.653   10.288  ?   ?   175.237   10.865      ?      ? 
1 1 1  -32   21   14 o  147.414   9.8123   61.911   7.7269   61.515   11.810   62.207   10.217  146.412   14.927  148.416   12.740 -2.004700 19.62459 
1 1 1  -32   21   15 o   51.930   15.036   4.5925   6.6343   6.1819   10.313   3.4705   8.6652   55.228   22.324   48.632   20.149 6.595921 30.07222 
1 1 1  -32   21   16 o   98.145   13.894   30.822   7.0424   22.508   10.922   36.739   9.2135   83.367   23.327  112.923   15.099 -29.55572 27.78736 
1 1 1  -32   21   17 o  136.857   10.469   52.631   7.6500   63.266   11.965   45.277   9.9492  148.201   14.941  125.512   14.669 22.68832 20.93847 
1 1 1  -32   21   18 o   50.731   14.906   3.9877   6.7250   1.5322   10.638   5.6224   8.6795   49.732   21.523   51.730   20.628 -1.997982 29.81236 
1 1 1  -32   21   19 o  134.638   10.398   50.475   7.4375   62.270   11.907   42.927   9.5243  146.962   14.993  122.313   14.410 24.64874 20.79547 
1 1 1  -32   21   20 o  122.426   11.116   44.201   7.1714   38.941   10.963   48.135   9.4813  114.847   17.666  130.004   13.497 -15.15723 22.23130 
1 1 1  -32   21   21 o   49.482   14.773   2.9364   6.7953   0.8340   10.306   4.5532   9.0381   48.282   21.039   50.682   20.744 -2.400330 29.54559 
1 1 1  -32   21   22 o   54.765   15.447   6.1699   6.8743   9.9732   10.554   3.3670   9.0599   60.629   23.148   48.902   20.460 11.72716 30.89439 
1 1 1  -32   21   23 o   96.235   14.349   30.858   7.2149   20.889   11.432   37.457   9.3015   79.041   24.357  113.430   15.175 -34.38911 28.69751 
1 1 1  -32   21   24 o   47.137   13.344  -3.4122   6.9869 -28.4614   11.237   12.377   8.9212   31.081   15.579   63.193   21.669 -32.11148 26.68849 
1 1 1  -32   21   25 o   53.907   13.283   0.2304   7.0168 -25.1431   10.753   19.046   9.2599   31.264   15.606   76.550   21.500 -45.28645 26.56663 
1 1 1  -32   21   26 o   44.425   13.871  -1.9382   6.7282   4.7190   9.9273  -7.5941   9.1504   51.662   21.499   37.188   17.532 14.47410 27.74117 
1 1 1  -32   21   27 o   34.472   11.872 -14.5732   6.8580  -9.4482   10.661 -18.1906   8.9571   39.056   18.563   29.889   14.805 9.167480 23.74397 
1 1 1  -32   21   28 o   51.798   15.093   3.2516   7.1791   12.645   10.937  -3.8590   9.5159   62.946   23.674   40.651   18.727 22.29446 30.18539 
1 1 1  -32   21   29 f   55.588   15.721   8.0816   7.2899   3.6541   11.723   10.873   9.3083   51.929   22.534   59.247   21.927 -7.317554 31.44175 
1 1 1  -32   21   30 o   63.461   16.072   12.491   7.6118   4.0040   11.575   18.957   10.104   52.422   22.570   74.501   22.889 -22.07837 32.14463 
1 1 1  -32   21   31 o   99.017   19.252   35.919   10.630   34.572   15.574   37.095   14.545   96.171   28.163  101.862   26.257 -5.691208 38.50492 
1 1 1  -32   21   32 o   54.655   16.608   2.2179   9.5509  -9.5901   14.054   12.351   13.019   45.305   21.469   64.004   25.346 -18.69929 33.21645 
1 1 1  -32   21   33 o   72.168   18.952   19.112   10.089   25.721   14.543   12.980   14.008   80.715   27.667   63.620   25.907 17.09460 37.90342 
1 1 1  -32   21   34 f   46.550   15.218  -0.9488   8.3765   3.7365   14.700  -3.2017   10.193   52.230   23.762   40.870   19.019 11.36040 30.43571 
1 1 1  -32   21   35 o   70.892   15.482   19.279   7.9524   3.7055   12.611   29.561   10.247   50.527   22.581   91.257   21.186 -40.72998 30.96379 
1 1 1  -32   21   36 o   68.554   14.918   18.519   8.7402 -25.7432   19.938   29.049   9.7244   44.634   22.105   92.474   20.039 -47.83936 29.83629 
1 1 1  -32   21   37 o   39.265   13.246  -7.2686   7.7599  -7.5420   11.776  -7.0588   10.317   40.396   19.286   38.134   18.163 2.262344 26.49289 
1 1 1  -32   21   38 o   86.015   18.236   28.528   9.7805   14.454   12.257   53.198   16.228   60.326   24.353  111.704   27.150 -51.37838 36.47157 
1 1 1  -32   22    1 o   45.125   14.016  -0.5558   6.5175  -2.4382   8.5627   2.0367   10.049   40.960   18.433   49.289   21.120 -8.328831 28.03293 
1 1 1  -32   22    2 o  148.063   9.7079   62.110   7.6177   64.482   12.084   60.545   9.8135  149.684   14.939  146.443   12.401 3.241669 19.41588 
1 1 1  -32   22    3 o  103.657   12.992   33.347   6.8875   24.657   10.176   40.692   9.3560   88.205   21.537  119.110   14.536 -30.90531 25.98396 
1 1 1  -32   22    4 o  104.883   12.720   32.798   7.0178   37.447   10.184   28.594   9.6843  113.249   16.641   96.518   19.243 16.73098 25.44092 
1 1 1  -32   22    5 o  103.369   13.051   33.010   6.9367   25.217   10.211   39.689   9.4527   89.276   21.437  117.463   14.892 -28.18632 26.10239 
1 1 1  -32   22    6 o   64.431   15.213   12.374   6.6552   5.6310   9.9940   17.747   8.9208   53.871   21.904   74.991   21.117 -21.12019 30.42515 
1 1 1  -32   22    7 o   41.380   13.058  -4.7155   6.4843 -14.8323   9.6593   3.5836   8.7487   33.901   16.497   48.860   20.245 -14.95953 26.11543 
1 1 1  -32   22    8 o   83.929   18.688   24.672   8.7706   14.077   22.290   26.612   9.5402   75.113   31.795   92.744   19.647 -17.63121 37.37556 
1 1 1  -32   22    9 o   63.358   19.948   2.3293   13.014   7.2725   22.562  -0.1350   15.931   69.934   30.784   56.782   25.378 13.15258 39.89560 
1 1 1  -32   22   10 o   79.399   21.620   20.043   12.797   23.041   20.828   18.225   16.219   82.824   32.280   75.974   28.771 6.849876 43.24099 
1 1 1  -32   22   11 o   41.782   13.415  -3.4874   6.6224  -6.0908   9.8091  -1.3069   8.9771   40.435   18.762   43.129   19.179 -2.693584 26.82987 
1 1 1  -32   22   12 o   41.058   13.187  -5.9652   6.6737   2.0201   9.5997 -13.4342   9.2842   48.349   20.678   33.767   16.372 14.58168 26.37494 
1 1 1  -32   22   13 o   47.921   14.241  -0.4767   6.6968   9.1492   10.078  -8.0889   8.9618   59.137   22.610   36.706   17.319 22.43016 28.48100 
1 1 1  -32   22   14 o   93.892   14.492   27.165   7.1275   32.360   10.764   23.108   9.5113  102.128   20.221   85.657   20.765 16.47031 28.98371 
1 1 1  -32   22   15 o   63.750   15.778   12.115   6.8892   7.9508   10.492   15.272   9.1340   57.799   22.796   69.701   21.820 -11.90213 31.55626 
1 1 1  -32   22   16 o  111.634   12.895   38.347   7.3455   31.742   11.122   43.457   9.7824  100.416   21.165  122.852   14.736 -22.43626 25.78946 
1 1 1  -32   22   17 o   56.831   15.269   8.0091   6.8317   1.7141   10.590   12.496   8.9407   49.700   21.492   63.962   21.694 -14.26225 30.53795 
1 1 1  -32   22   18 o   46.510   14.389  -0.1446   6.8767   3.7587   10.422  -3.1539   9.1513   51.647   21.795   41.373   18.794 10.27459 28.77900 
1 1 1  -32   22   19 o   63.394   15.172   10.518   7.3675  -2.3145   10.854   21.483   10.033   45.723   20.648   81.066   22.235 -35.34328 30.34356 
1 1 1  -32   22   20 o   45.506   14.372  -1.0207   7.1676  -2.4298   11.038   0.0066   9.4248   45.889   20.764   45.123   19.878 0.7657433 28.74445 
1 1 1  -32   22   21 o   51.987   15.012   4.7580   6.9316  -0.4399   10.247   9.1436   9.4121   46.270   20.537   57.704   21.902 -11.43346 30.02395 
1 1 1  -32   22   22 o   76.979   15.892   19.251   7.0493   23.344   10.514   15.909   9.5010   83.982   22.650   69.977   22.298 14.00490 31.78415 
1 1 1  -32   22   23 o   39.243   12.750  -8.6455   6.7954 -21.3172   9.9340   2.4987   9.3161   30.879   15.346   47.607   20.366 -16.72771 25.50061 
1 1 1  -32   22   24 o  116.587   11.918   41.226   7.4700   38.411   10.812   43.798   10.333  112.002   17.864  121.173   15.781 -9.171722 23.83626 
1 1 1  -32   22   25 o   72.840   15.244   18.339   7.5694   4.4941   11.703   28.297   9.9249   52.798   22.713   92.881   20.338 -40.08331 30.48797 
1 1 1  -32   22   26 o   87.529   16.272   25.818   7.8091   32.721   11.972   20.707   10.302   97.714   23.048   77.345   22.975 20.36922 32.54337 
1 1 1  -32   22   27 o   63.099   16.476   12.638   7.5215   9.7906   11.298   14.905   10.080   59.291   23.569   66.907   23.029 -7.615086 32.95178 
1 1 1  -32   22   28 o   72.667   18.255   17.256   8.9608   12.254   11.550   24.820   14.202   63.194   24.195   82.139   27.341 -18.94461 36.50989 
1 1 1  -32   22   29 f  109.909   18.034   42.134   10.475   45.383   15.551   39.437   14.172  113.465   25.930  106.353   25.069 7.111938 36.06718 
1 1 1  -32   22   30 o   92.303   18.317   32.057   10.388   45.180   14.473   18.113   14.919  113.653   24.303   70.954   27.412 42.69938 36.63411 
1 1 1  -32   22   31 f  105.934   18.650   44.503   10.929   56.824   15.791   33.176   15.141  123.865   24.460   88.003   28.160 35.86185 37.30032 
1 1 1  -32   22   32 o   42.019   14.308 -10.5244   8.3396   3.5113   15.166 -16.6081   9.9847   52.145   23.880   31.893   15.767 20.25243 28.61596 
1 1 1  -32   22   33 o   40.544   13.434  -5.8236   7.5495 -11.6397   10.984  -0.6157   10.394   37.026   17.917   44.062   20.021 -7.036060 26.86725 
1 1 1  -32   22   34 o   67.172   17.049   16.821   7.8026   18.304   12.014   15.739   10.261   68.852   25.002   65.492   23.186 3.359550 34.09818 
1 1 1  -32   22   35 f   73.742   16.045   22.274   7.7266   12.858   12.428   28.207   9.8648   59.156   24.281   88.327   20.980 -29.17074 32.08943 
1 1 1  -32   22   36 o   51.464   15.633   7.2560   8.0516   1.3096   13.200   10.780   10.161   47.678   21.996   55.249   22.219 -7.571575 31.26535 
1 1 1  -32   23    1 o  101.628   13.323   32.061   7.1694   55.383   10.608   12.454   9.7268  138.969   14.127   64.287   22.593 74.68176 26.64629 
1 1 1  -32   23    2 o   97.127   14.078   28.175   7.2824   41.509   11.186   18.366   9.5939  118.541   17.463   75.713   22.085 42.82808 28.15542 
1 1 1  -32   23    3 o   71.934   14.608   15.671   6.6132   6.4307   9.2541   25.316   9.4541   53.786   21.347   90.081   19.948 -36.29578 29.21678 
1 1 1  -32   23    4 o   96.489   14.209   28.963   7.1602   29.740   10.415   28.266   9.8596   97.547   20.415   95.431   19.770 2.115944 28.41851 
1 1 1  -32   23    5 o   39.788   13.075  -7.2311   6.8424  -2.0951   9.9934 -11.7639   9.3881   44.499   19.979   35.076   16.871 9.422779 26.14945 
1 1 1  -32   23    6 o   53.740   17.587  -1.8134   8.6373  -0.9995   22.752  -1.9504   9.3362   64.286   29.368   43.193   19.357 21.09367 35.17398 
1 1 1  -32   23    7 o   81.417   22.562   20.822   13.818   29.167   23.767   16.561   16.983   88.874   34.525   73.961   29.056 14.91238 45.12466 
1 1 1  -32   23    8 o   57.985   18.785  -3.1494   12.557   0.8586   21.536  -5.2140   15.457   64.039   28.987   51.932   23.902 12.10662 37.57054 
1 1 1  -32   23    9 o   80.219   18.083   15.094   8.7390   5.9292   10.240   39.662   16.766   54.338   22.142  106.099   28.596 -51.76081 36.16568 
1 1 1  -32   23   10 f   59.624   15.640   9.5624   6.9558   4.7539   10.023   14.030   9.6610   52.332   21.675   66.916   22.552 -14.58431 31.27972 
1 1 1  -32   23   11 f   66.128   15.005   13.173   6.8793   3.1974   10.264   21.311   9.2698   50.644   21.513   81.611   20.922 -30.96693 30.00924 
1 1 1  -32   23   12 o   52.113   15.109   5.0486   6.8556   2.7358   9.9005   7.1792   9.5023   49.367   21.054   54.859   21.676 -5.492416 30.21762 
1 1 1  -32   23   13 o   47.575   14.515   1.6177   6.8452  -0.6113   10.013   3.5733   9.3790   45.699   20.291   49.451   20.761 -3.752205 29.03057 
1 1 1  -32   23   14 o   42.067   13.623  -4.0172   6.9731  -2.8459   10.111  -5.0796   9.6297   43.617   19.791   40.517   18.726 3.100636 27.24566 
1 1 1  -32   23   15 o   73.240   16.163   17.075   7.0945   21.993   10.914   13.477   9.3358   81.115   23.526   65.365   22.169 15.75018 32.32515 
1 1 1  -32   23   16 o   62.773   16.400   11.693   7.3324   12.707   10.911   10.858   9.9015   64.594   23.769   60.953   22.603 3.641224 32.80082 
1 1 1  -32   23   17 o   47.001   14.631   0.3197   7.2375  -1.9404   10.804   2.1598   9.7485   45.816   20.653   48.186   20.729 -2.369995 29.26199 
1 1 1  -32   23   18 o   50.003   15.161   2.2720   7.3412   6.3650   11.071  -0.9397   9.8072   55.306   22.834   44.701   19.950 10.60534 30.32120 
1 1 1  -32   23   19 o   40.257   13.137  -8.0409   7.2767 -21.8594   11.297   1.7584   9.5132   33.630   16.652   46.885   20.322 -13.25463 26.27353 
1 1 1  -32   23   20 o   64.643   16.427   13.681   7.3402   12.040   11.092   14.959   9.7908   62.331   23.747   66.954   22.702 -4.623634 32.85315 
1 1 1  -32   23   21 o   59.038   16.124   8.9630   7.4634   16.600   11.524   3.4461   9.7950   69.219   24.565   48.856   20.891 20.36232 32.24719 
1 1 1  -32   23   22 o  127.621   11.902   48.925   8.1542   55.934   12.405   43.593   10.820  135.467   16.947  119.775   16.718 15.69215 23.80494 
1 1 1  -32   23   23 o   80.632   16.888   22.081   8.0026   29.528   12.108   16.306   10.664   92.032   24.073   69.232   23.692 22.80043 33.77547 
1 1 1  -32   23   24 o   37.771   12.772 -12.2200   7.6512 -23.0602   11.878  -4.5330   10.003   34.235   16.974   41.307   19.089 -7.071453 25.54398 
1 1 1  -32   23   25 o   78.395   17.508   18.587   9.1840   6.1356   11.962   36.464   14.333   55.574   23.395  101.217   26.053 -45.64270 35.01540 
1 1 1  -32   23   26 o   50.864   16.394  -1.6496   9.9525  -1.4462   14.234  -1.8441   13.921   51.251   23.342   50.477   23.026 0.7737579 32.78755 
1 1 1  -32   23   27 o   63.281   18.134   12.330   9.6779   10.149   13.531   14.615   13.848   60.522   25.136   66.041   26.144 -5.518227 36.26701 
1 1 1  -32   23   28 o   69.906   19.255   19.744   10.647   26.261   15.481   13.894   14.667   77.316   28.334   62.495   26.080 14.82138 38.50951 
1 1 1  -32   23   29 o   76.172   17.721   25.026   8.9728   17.725   14.849   29.224   11.261   65.121   26.614   87.223   23.405 -22.10146 35.44132 
1 1 1  -32   23   30 o   66.327   15.868   15.673   7.6376   5.3490   11.264   24.460   10.391   51.155   22.143   81.500   22.735 -30.34533 31.73655 
1 1 1  -32   23   31 o   54.255   15.777   8.2648   7.4480   6.0872   11.760   9.7234   9.6245   52.768   22.734   55.741   21.881 -2.972618 31.55335 
1 1 1  -32   23   32 o   47.914   14.811   3.8248   7.3759   0.3697   11.102   6.5553   9.8690   45.352   20.639   50.476   21.250 -5.124176 29.62297 
1 1 1  -32   23   33 o   44.620   14.405   0.7022   7.6995   0.7686   11.423   0.6470   10.423   45.336   20.748   43.904   19.987 1.431953 28.80942 
1 1 1  -32   24    1 o   64.677   15.359   11.094   7.3630  -0.2606   10.367   22.653   10.460   46.647   20.683   82.707   22.711 -36.05972 30.71709 
1 1 1  -32   24    2 o   40.904   13.160  -3.9446   6.5805   0.7183   8.5794 -10.6076   10.256   44.150   19.218   37.657   17.984 6.493477 26.32043 
1 1 1  -32   24    3 o   46.543   14.051  -2.4908   6.9962 -13.3956   9.7133   9.2659   10.086   34.579   16.761   58.506   22.557 -23.92742 28.10236 
1 1 1  -32   24    4 o   48.424   16.635  -8.6705   9.2107 -17.1599   25.267  -7.3696   9.8913   57.666   27.722   39.182   18.395 18.48420 33.27007 
1 1 1  -32   24    5 o   49.171   17.083 -25.4846   14.208 -21.5811   24.820 -27.3874   17.329   55.416   26.845   42.927   21.136 12.48909 34.16685 
1 1 1  -32   24    6 o   61.526   19.533   2.2585   13.667  -7.6757   22.437   8.1194   17.234   58.897   27.669   64.155   27.579 -5.257778 39.06643 
1 1 1  -32   24    7 o   69.844   16.831   15.705   9.1591   25.104   11.076  -4.6284   16.290   86.799   23.177   52.888   24.412 33.91063 33.66250 
1 1 1  -32   24    8 o   67.474   16.202   14.563   7.1160   12.107   10.111   16.973   10.017   63.073   22.931   71.874   22.895 -8.801250 32.40372 
1 1 1  -32   24    9 o   80.405   15.321   21.414   7.2584   12.445   10.432   29.833   10.106   63.733   23.273   97.078   19.933 -33.34481 30.64242 
1 1 1  -32   24   10 o   51.141   15.289   3.7270   7.3491   0.9512   10.626   6.2722   10.175   48.262   21.187   54.020   22.048 -5.758308 30.57826 
1 1 1  -32   24   11 o   56.967   15.700   8.4017   7.1342   4.5106   10.547   11.684   9.6864   52.121   21.956   61.813   22.449 -9.691658 31.40095 
1 1 1  -32   24   12 o   88.318   15.969   26.617   7.7144   22.364   11.685   29.902   10.271   80.256   24.608   96.380   20.359 -16.12362 31.93797 
1 1 1  -32   24   13 o   38.952   13.076  -9.0795   7.4536 -11.1944   10.891  -7.2165   10.222   38.292   18.353   39.613   18.631 -1.321548 26.15229 
1 1 1  -32   24   14 o  154.265   10.024   68.860   8.2846   82.471   12.519   58.256   11.050  167.962   13.793  140.568   14.548 27.39349 20.04742 
1 1 1  -32   24   15 o   56.985   15.919   7.9187   7.5031   14.406   11.013   2.2981   10.250   65.709   23.925   48.262   21.007 17.44642 31.83889 
1 1 1  -32   24   16 o   60.698   16.541   11.179   7.6855   13.213   11.124   9.3222   10.630   63.740   23.895   57.656   22.880 6.083858 33.08281 
1 1 1  -32   24   17 o   49.656   15.435   1.6836   7.9963   4.7815   11.841  -0.9133   10.842   53.344   22.894   45.967   20.708 7.377659 30.87047 
1 1 1  -32   24   18 o   53.688   15.440   4.1366   7.6197  -4.7132   10.497   13.993   11.078   42.056   19.477   65.320   23.964 -23.26381 30.88072 
1 1 1  -32   24   19 o   39.714   13.385 -12.4858   7.9756  -2.6908   11.895 -20.4868   10.750   46.498   21.239   32.931   16.295 13.56718 26.76992 
1 1 1  -32   24   20 o  106.495   22.843   38.006   12.751   38.006   12.751   0.0000   0.0000  106.495   22.843  ?   ?       ?      ? 
1 1 1  -32   24   21 o  159.923   15.290   75.669   13.213   75.669   13.213   0.0000   0.0000  159.923   15.290  ?   ?       ?      ? 
1 1 1  -32   24   22 o   43.883   20.574  -7.0082   12.299  -7.0082   12.299   0.0000   0.0000   43.883   20.574  ?   ?       ?      ? 
1 1 1  -32   24   23 o   95.964   19.581   35.212   10.719   35.631   15.003   34.775   15.319   96.914   27.419   95.014   27.963 1.899994 39.16232 
1 1 1  -32   24   24 o   73.502   17.378   17.793   10.147   37.477   14.253  -2.4369   14.449   98.189   26.325   48.816   22.692 49.37250 34.75504 
1 1 1  -32   24   25 o   43.936   14.841  -7.4051   9.9283  -4.5248   13.635 -10.6554   14.485   45.111   21.308   42.760   20.664 2.351109 29.68205 
1 1 1  -32   24   26 o   65.442   17.929   16.982   8.9034   18.811   14.227   15.804   11.415   66.995   26.506   63.888   24.151 3.107040 35.85852 
1 1 1  -32   24   27 o   53.187   15.248   3.8214   7.7830   17.323   11.304  -8.3469   10.732   67.765   24.299   38.609   18.427 29.15665 30.49594 
1 1 1  -32   24   28 o   46.396   14.679   1.1719   7.5910  -0.8011   10.880   3.0431   10.596   44.729   20.385   48.063   21.127 -3.334694 29.35872 
1 1 1  -32   24   29 o   44.407   14.391  -0.6005   7.7808   0.5785   11.472  -1.6048   10.588   46.002   20.953   42.812   19.734 3.189739 28.78260 
1 1 1  -32   24   30 o   37.741   12.798  -9.8853   7.4806  -0.3628   11.213 -17.5230   10.042   44.135   20.330   31.346   15.553 12.78928 25.59697 
1 1 1  -32   25    1 o   46.921   14.692   0.6959   7.3931   2.1211   10.201  -0.8807   10.730   48.020   20.928   45.821   20.626 2.199368 29.38392 
1 1 1  -32   25    2 o   89.384   19.878   10.383   10.035   75.473   24.741  -2.4341   10.979  133.947   34.095   44.820   20.447 89.12744 39.75591 
1 1 1  -32   25    3 o   64.335   20.527   7.0511   14.829   10.043   23.583   5.0946   19.072   67.554   30.478   61.115   27.506 6.438835 41.05410 
1 1 1  -32   25    4 o   62.570   20.355   1.0759   14.976   16.099   25.349  -6.9797   18.562   72.218   32.164   52.922   24.956 19.29639 40.71005 
1 1 1  -32   25    5 o   47.633   15.813  -5.1161   9.0090  -6.0274   10.490  -2.5541   17.588   40.854   19.105   54.411   25.203 -13.55640 31.62597 
1 1 1  -32   25    6 o   78.713   16.319   21.660   7.6421   27.038   10.588   15.811   11.041   89.377   22.057   68.050   24.056 21.32668 32.63771 
1 1 1  -32   25    7 o   47.588   14.942   0.5331   7.6740  -1.1153   10.529   2.4007   11.208   45.243   20.393   49.933   21.844 -4.690784 29.88357 
1 1 1  -32   25    8 o   60.962   16.158   11.398   7.1855   9.6266   9.7413   13.512   10.642   57.597   22.179   64.327   23.504 -6.729729 32.31653 
1 1 1  -32   25    9 o   40.445   13.452  -7.5706   7.5895 -10.9578   10.778  -4.2392   10.689   38.069   18.249   42.820   19.769 -4.751377 26.90426 
1 1 1  -32   25   10 o   55.019   15.765   7.4007   7.2820   6.7478   9.9741   8.1459   10.656   53.672   21.859   56.366   22.724 -2.694408 31.53087 
1 1 1  -32   25   11 o   39.848   13.260  -7.5756   7.3863 -10.5640   10.578  -4.7316   10.319   37.955   18.164   41.742   19.324 -3.786537 26.52089 
1 1 1  -32   25   12 o   49.260   15.133   1.9237   7.5971  -1.7501   10.738   5.6050   10.749   45.257   20.478   53.263   22.286 -8.006264 30.26576 
1 1 1  -32   25   13 o  107.063   14.736   37.758   8.2694   51.469   11.744   24.276   11.646  130.770   16.620   83.356   24.338 47.41352 29.47130 
1 1 1  -32   25   14 o  106.660   21.367   37.181   11.885   37.181   11.885   0.0000   0.0000  106.660   21.367  ?   ?       ?      ? 
1 1 1  -32   25   17 o   44.571   20.823  -6.1900   12.414   0.0000   0.0000  -6.1900   12.414  ?   ?    44.571   20.823      ?      ? 
1 1 1  -32   25   18 o   45.601   14.944  -4.0018   8.6753  -0.2845   10.674 -11.2342   14.889   46.045   20.662   45.157   21.594 0.8882179 29.88737 
1 1 1  -32   25   19 o   55.951   16.560   2.2417   9.8542   19.667   13.675 -16.5788   14.212   71.297   26.539   40.606   19.815 30.69119 33.12024 
1 1 1  -32   25   20 f   96.716   19.208   38.743   10.470   40.450   14.647   36.959   14.973   99.980   26.634   93.453   27.684 6.526970 38.41519 
1 1 1  -32   25   21 o   56.983   17.250   10.233   9.5881   13.482   13.066   6.4414   14.114   60.320   24.844   53.645   23.938 6.675579 34.49968 
1 1 1  -32   25   22 o   71.914   18.743   21.645   9.9176   28.491   14.119   14.977   13.934   81.081   27.264   62.747   25.727 18.33428 37.48612 
1 1 1  -32   25   23 o   65.064   17.171   15.682   8.9382   4.6779   14.815   21.979   11.208   54.253   24.344   75.875   24.223 -21.62222 34.34217 
1 1 1  -32   25   24 f   43.959   14.414  -3.4854   8.0607   0.6787   12.349  -6.5770   10.640   48.218   21.876   39.700   18.774 8.518227 28.82707 
1 1 1  -32   25   25 o   38.226   13.009  -9.9811   7.9565 -14.2324   12.073  -6.7175   10.578   37.360   18.238   39.093   18.554 -1.732903 26.01715 
1 1 1  -32   25   26 o  109.267   15.272   42.734   8.6229   47.685   13.286   39.131   11.335  113.701   22.421  104.832   20.743 8.869026 30.54438 
1 1 1  -32   25   27 o   71.258   17.114   21.461   8.0578   17.739   12.164   24.372   10.756   64.784   24.824   77.733   23.564 -12.94905 34.22702 
1 1 1  -32   26    1 o   53.583   17.978  -8.9608   14.117 -17.9009   22.176  -2.8694   18.305   52.089   25.266   55.077   25.582 -2.988182 35.95581 
1 1 1  -32   26    2 o   74.288   21.789   16.316   14.846   35.045   22.729   2.3806   19.606   88.662   33.943   59.915   27.329 28.74740 43.57747 
1 1 1  -32   26    3 f   43.366   14.210  -6.5082   7.7503 -11.8367   9.9431   1.7412   12.372   35.646   17.200   51.086   22.625 -15.43927 28.42087 
1 1 1  -32   26    4 o   41.087   13.442  -7.2602   7.5405   1.4669   9.9129 -19.2442   11.616   46.886   20.527   35.288   17.362 11.59766 26.88439 
1 1 1  -32   26    5 o   56.982   22.659   8.8030   10.445   8.8030   10.445   0.0000   0.0000   56.982   22.659  ?   ?       ?      ? 
1 1 1  -32   26    6 o   49.366   15.198   2.4605   7.6223   4.2204   10.321   0.3493   11.305   50.700   21.556   48.032   21.429 2.668190 30.39538 
1 1 1  -32   26    7 o   33.196   11.626 -20.9143   7.7846 -20.8460   10.701 -20.9912   11.346   32.535   16.128   33.857   16.751 -1.321369 23.25286 
1 1 1  -32   26    8 f   40.338   13.395  -6.5333   7.3921  -5.6872   9.8911  -7.6037   11.125   39.791   18.589   40.884   19.292 -1.092720 26.79059 
1 1 1  -32   26    9 o   68.653   17.194   16.126   8.1654   11.254   11.330   21.393   11.779   60.569   23.752   76.737   24.867 -16.16798 34.38820 
1 1 1  -32   26   10 o   46.402   14.645   0.5344   7.4428   0.0230   10.067   1.1510   11.054   45.019   20.143   47.785   21.264 -2.765953 29.28980 
1 1 1  -32   26   11 o   46.836   14.607   1.4965   7.3220   4.8355   10.178  -2.0846   10.541   50.161   21.369   43.510   19.919 6.651596 29.21308 
1 1 1  -32   26   12 o   46.171   14.601  -0.1278   7.7747  -7.2403   11.344   6.1726   10.677   40.556   19.239   51.786   21.968 -11.23036 29.20111 
1 1 1  -32   26   13 o   81.303   18.236   25.481   8.7692   20.519   10.997   34.144   14.532   72.653   24.054   89.952   27.416 -17.29913 36.47191 
1 1 1  -32   26   14 o   47.547   15.365  -0.9488   9.3699   7.3739   12.104 -13.3964   14.802   53.246   23.001   41.848   20.377 11.39809 30.72927 
1 1 1  -32   26   15 o   93.656   18.540   35.665   9.7592   29.504   12.920   43.851   14.893   84.038   25.893  103.274   26.543 -19.23617 37.08018 
1 1 1  -32   26   16 o   79.420   19.138   27.394   9.8216   27.050   13.242   27.815   14.643   79.885   26.392   78.955   27.722 0.9302902 38.27632 
1 1 1  -32   26   17 o   52.943   16.712   4.4839   9.8431   7.7860   13.206   0.3559   14.765   55.376   23.973   50.510   23.289 4.866802 33.42307 
1 1 1  -32   26   18 o   54.818   16.794   6.9508   9.1420   6.5698   12.326   7.4167   13.629   53.830   23.233   55.806   24.257 -1.976597 33.58823 
1 1 1  -32   26   19 o   65.291   16.888   15.393   8.4806   6.1464   12.965   22.308   11.212   53.987   23.559   76.595   24.204 -22.60823 33.77655 
1 1 1  -32   26   20 o   42.085   13.840  -3.4473   7.6253  -2.3580   10.700  -4.5715   10.870   42.822   19.773   41.348   19.371 1.473896 27.68032 
1 1 1  -32   26   21 o   56.801   16.360   10.794   7.8990   13.021   11.587   8.8604   10.797   59.663   23.821   53.938   22.431 5.725060 32.71992 
1 1 1  -32   26   22 o   73.141   14.659   16.370   8.0963   40.650   12.077  -3.4489   10.911  104.947   22.000   41.335   19.379 63.61275 29.31747 
1 1 1  -32   26   23 o   46.784   14.791   1.3301   7.8841   9.7985   11.635  -5.8601   10.721   54.469   23.009   39.100   18.593 15.36889 29.58221 
1 1 1  -32   27    1 o   39.421   13.122  -6.0069   7.2692  -2.6916   9.7162 -10.2215   10.955   41.001   18.900   37.841   18.207 3.160301 26.24350 
1 1 1  -32   27    2 o   54.512   15.786   7.8480   7.4471   3.9217   9.9101   12.941   11.287   48.067   20.788   60.957   23.762 -12.88982 31.57173 
1 1 1  -32   27    3 o   49.391   14.664   4.0023   7.2859   11.000   9.4273  -6.3771   11.481   57.515   21.898   41.267   19.511 16.24786 29.32891 
1 1 1  -32   27    4 o   76.505   16.604   21.755   7.4833   19.580   9.9713   24.559   11.323   72.756   22.802   80.254   24.143 -7.497681 33.20851 
1 1 1  -32   27    5 o   46.716   14.518   2.2634   7.2457   5.9030   9.3861  -3.1043   11.399   49.881   20.844   43.551   20.214 6.329185 29.03567 
1 1 1  -32   27    6 o   57.210   15.558   7.2032   7.3115  -1.6439   9.4129   20.660   11.609   41.369   18.895   73.050   24.721 -31.68172 31.11539 
1 1 1  -32   27    7 o   48.437   15.342   2.1940   8.0904   4.5950   9.6997  -3.2950   14.666   48.665   20.799   48.210   22.559 0.4548492 30.68383 
1 1 1  -32   27    8 o   58.486   16.660   3.0642   8.7001  -9.1506   10.749   26.261   14.813   38.155   18.273   78.817   27.864 -40.66204 33.32093 
1 1 1  -32   27    9 o   51.135   15.338   1.5086   8.7931   14.248   11.161 -19.3401   14.278   63.110   23.874   39.161   19.263 23.94912 30.67670 
1 1 1  -32   27   10 o   63.559   17.682   13.636   8.7774   9.5946   11.267   19.876   14.000   56.587   23.160   70.531   26.725 -13.94424 35.36452 
1 1 1  -32   27   11 o   84.480   18.398   28.280   9.1754   27.635   12.127   29.144   14.032   84.779   24.859   84.181   27.128 0.5981522 36.79551 
1 1 1  -32   27   12 o   63.003   17.863   14.342   9.2280   15.300   11.783   12.822   14.841   64.318   24.482   61.689   26.019 2.629463 35.72637 
1 1 1  -32   27   13 o   41.739   14.160  -8.7286   9.0038  -7.4527   11.434 -10.8108   14.607   40.211   19.144   43.268   20.870 -3.057362 28.32067 
1 1 1  -32   27   14 o   40.955   13.695  -6.2318   8.0819 -10.7568   11.470  -1.7697   11.390   37.961   18.355   43.949   20.331 -5.987965 27.39052 
1 1 1  -32   27   15 o   62.596   15.688   12.186   7.9070  -1.2427   10.974   26.686   11.403   43.422   20.041   81.771   24.142 -38.34895 31.37643 
1 1 1  -32   27   16 o   93.948   16.301   33.820   8.2090   32.904   11.383   34.813   11.850   92.833   22.846   95.064   23.258 -2.230156 32.60225 
1 1 1  -32   27   17 o   55.383   15.976   9.7355   7.8558   3.3387   10.871   16.728   11.365   46.951   20.975   63.816   24.104 -16.86414 31.95278 
1 1 1  -32   28    4 o   46.960   15.091   2.4031   8.2085   3.5135   10.270   0.4394   13.658   46.406   20.581   47.513   22.078 -1.106064 30.18267 
1 1 1  -31    0    1 o  151.279   6.9447   62.695   7.9509   62.695   7.9509   62.695   7.9509  151.279   9.8213  151.279   9.8213 0.000000 0.000000 
1 1 1  -31    0    2 o  335.941   5.5133  305.677   14.137  305.677   14.137  305.677   14.137  335.941   7.7969  335.941   7.7969 0.000000 0.000000 
1 1 1  -31    0    3 o  724.086   9.0563  1421.21   50.077  1421.21   50.077  1421.21   50.077  724.086   12.808  724.086   12.808 0.000000 0.000000 
1 1 1  -31    0    4 o  571.995   7.4344  886.268   32.472  886.268   32.472  886.268   32.472  571.995   10.514  571.995   10.514 0.000000 0.000000 
1 1 1  -31    0    5 o   22.186   10.927  -6.2290   6.6545  -6.2290   6.6545  -6.2290   6.6545   22.186   15.453   22.186   15.453 0.000000 0.000000 
1 1 1  -31    0    6 o  289.124   5.2955  226.489   11.683  226.489   11.683  226.489   11.683  289.124   7.4890  289.124   7.4890 0.000000 0.000000 
1 1 1  -31    0    7 o  167.725   6.1186   76.693   7.7947   76.693   7.7947   76.693   7.7947  167.725   8.6529  167.725   8.6529 0.000000 0.000000 
1 1 1  -31    0    8 o  398.789   5.8946  430.679   17.946  430.679   17.946  430.679   17.946  398.789   8.3363  398.789   8.3363 0.000000 0.000000 
1 1 1  -31    0    9 o   38.286   15.333   5.2301   6.9195   5.2301   6.9195   5.2301   6.9195   38.286   21.684   38.286   21.684 0.000000 0.000000 
1 1 1  -31    0   10 o  125.969   8.0322   43.991   7.5876   43.991   7.5876   43.991   7.5876  125.969   11.359  125.969   11.359 0.000000 0.000000 
1 1 1  -31    0   11 o   25.807   12.292  -3.0717   6.9706  -3.0717   6.9706  -3.0717   6.9706   25.807   17.384   25.807   17.384 0.000000 0.000000 
1 1 1  -31    0   12 o   30.644   13.726   0.9162   6.9320   0.9162   6.9320   0.9162   6.9320   30.644   19.411   30.644   19.411 0.000000 0.000000 
1 1 1  -31    0   13 o   64.447   16.165   14.857   7.2472   14.857   7.2472   14.857   7.2472   64.447   22.860   64.447   22.860 0.000000 0.000000 
1 1 1  -31    0   14 o   97.020   10.902   27.376   7.4718   27.376   7.4718   27.376   7.4718   97.020   15.418   97.020   15.418 0.000000 0.000000 
1 1 1  -31    0   15 o  145.758   10.435   59.369   11.351   59.369   11.351   59.369   11.351  145.758   14.758  145.758   14.758 0.000000 0.000000 
1 1 1  -31    0   16 o  186.823   6.3635   95.104   9.0371   95.104   9.0371   95.104   9.0371  186.823   8.9994  186.823   8.9994 0.000000 0.000000 
1 1 1  -31    0   17 o   61.342   19.880   14.989   10.179   14.989   10.179   14.989   10.179   61.342   28.114   61.342   28.114 0.000000 0.000000 
1 1 1  -31    0   18 o   29.729   13.571  -0.0898   7.1832  -0.0898   7.1832  -0.0898   7.1832   29.729   19.192   29.729   19.192 0.000000 0.000000 
1 1 1  -31    0   19 o   51.661   16.628   10.576   7.1167   10.576   7.1167   10.576   7.1167   51.661   23.516   51.661   23.516 0.000000 0.000000 
1 1 1  -31    0   20 o  326.032   5.6299  288.129   14.008  288.129   14.008  288.129   14.008  326.032   7.9618  326.032   7.9618 0.000000 0.000000 
1 1 1  -31    0   21 o   24.513   11.918  -5.1927   7.2971  -5.1927   7.2971  -5.1927   7.2971   24.513   16.855   24.513   16.855 0.000000 0.000000 
1 1 1  -31    0   22 o   62.679   16.856   14.526   7.5931   14.526   7.5931   14.526   7.5931   62.679   23.838   62.679   23.838 0.000000 0.000000 
1 1 1  -31    0   23 o  267.131   5.5287  193.632   11.264  193.632   11.264  193.632   11.264  267.131   7.8187  267.131   7.8187 0.000000 0.000000 
1 1 1  -31    0   24 o   65.695   17.346   15.873   8.1141   15.873   8.1141   15.873   8.1141   65.695   24.531   65.695   24.531 0.000000 0.000000 
1 1 1  -31    0   27 o  530.788   10.186  768.243   41.246  768.243   41.246  768.243   41.246  530.788   14.405  530.788   14.405 0.000000 0.000000 
1 1 1  -31    0   28 f  218.433   5.9776  129.832   9.9442  129.832   9.9442  129.832   9.9442  218.433   8.4536  218.433   8.4536 0.000000 0.000000 
1 1 1  -31    0   29 o   44.416   16.088   7.9772   6.9239   7.9772   6.9239   7.9772   6.9239   44.416   22.752   44.416   22.752 0.000000 0.000000 
1 1 1  -31    0   30 o  316.511   5.6842  271.976   13.729  271.976   13.729  271.976   13.729  316.511   8.0387  316.511   8.0387 0.000000 0.000000 
1 1 1  -31    0   31 o  115.308   9.0843   37.506   7.7506   37.506   7.7506   37.506   7.7506  115.308   12.847  115.308   12.847 0.000000 0.000000 
1 1 1  -31    0   32 o   47.679   16.864   9.2865   7.5043   9.2865   7.5043   9.2865   7.5043   47.679   23.849   47.679   23.849 0.000000 0.000000 
1 1 1  -31    0   33 o  169.444   6.6701   78.651   8.5758   78.651   8.5758   78.651   8.5758  169.444   9.4330  169.444   9.4330 0.000000 0.000000 
1 1 1  -31    0   34 o  427.310   6.3106  496.266   20.587  496.266   20.587  496.266   20.587  427.310   8.9245  427.310   8.9245 0.000000 0.000000 
1 1 1  -31    0   35 o  353.215   5.8744  339.151   15.837  339.151   15.837  339.151   15.837  353.215   8.3077  353.215   8.3077 0.000000 0.000000 
1 1 1  -31    0   36 o  185.098   6.2562   93.696   8.8033   93.696   8.8033   93.696   8.8033  185.098   8.8476  185.098   8.8476 0.000000 0.000000 
1 1 1  -31    0   37 o  140.240   7.4924   54.465   7.9242   54.465   7.9242   54.465   7.9242  140.240   10.596  140.240   10.596 0.000000 0.000000 
1 1 1  -31    0   38 o  211.409   5.8306  121.946   9.3873  121.946   9.3873  121.946   9.3873  211.409   8.2458  211.409   8.2458 0.000000 0.000000 
1 1 1  -31    0   39 o  101.627   10.507   30.116   7.6496   30.116   7.6496   30.116   7.6496  101.627   14.858  101.627   14.858 0.000000 0.000000 
1 1 1  -31    0   40 o   45.772   16.841   8.7334   7.6658   8.7334   7.6658   8.7334   7.6658   45.772   23.817   45.772   23.817 0.000000 0.000000 
1 1 1  -31    0   41 f  116.431   8.6729   38.354   7.5208   38.354   7.5208   38.354   7.5208  116.431   12.265  116.431   12.265 0.000000 0.000000 
1 1 1  -31    0   42 o  122.840   8.9310   42.729   8.1808   42.729   8.1808   42.729   8.1808  122.840   12.630  122.840   12.630 0.000000 0.000000 
1 1 1  -31    0   43 o   54.628   17.047   12.181   7.4765   12.181   7.4765   12.181   7.4765   54.628   24.108   54.628   24.108 0.000000 0.000000 
1 1 1  -31    0   44 o  160.845   7.5080   71.755   9.1363   71.755   9.1363   71.755   9.1363  160.845   10.618  160.845   10.618 0.000000 0.000000 
1 1 1  -31    0   45 o  108.955   9.6190   34.267   7.6716   34.267   7.6716   34.267   7.6716  108.955   13.603  108.955   13.603 0.000000 0.000000 
1 1 1  -31    0   46 o   50.435   17.397   10.931   7.9050   10.931   7.9050   10.931   7.9050   50.435   24.603   50.435   24.603 0.000000 0.000000 
1 1 1  -31    0   47 o  187.555   6.5037   96.915   9.2706   96.915   9.2706   96.915   9.2706  187.555   9.1977  187.555   9.1977 0.000000 0.000000 
1 1 1  -31    0   48 o   29.358   13.674  -0.7626   7.8359  -0.7626   7.8359  -0.7626   7.8359   29.358   19.338   29.358   19.338 0.000000 0.000000 
1 1 1  -31    0   49 o   49.941   18.155   11.090   8.8347   11.090   8.8347   11.090   8.8347   49.941   25.675   49.941   25.675 0.000000 0.000000 
1 1 1  -31    0   50 o  169.631   7.5854   80.247   9.7429   80.247   9.7429   80.247   9.7429  169.631   10.727  169.631   10.727 0.000000 0.000000 
1 1 1  -31    0   51 o   47.621   17.758   10.335   8.6096   10.335   8.6096   10.335   8.6096   47.621   25.113   47.621   25.113 0.000000 0.000000 
1 1 1  -31    0   52 o   93.487   21.891   34.077   13.907   34.077   13.907   34.077   13.907   93.487   30.958   93.487   30.958 0.000000 0.000000 
1 1 1  -31    0   55 o   32.686   15.033   1.5808   9.0408   1.5808   9.0408   1.5808   9.0408   32.686   21.260   32.686   21.260 0.000000 0.000000 
1 1 1  -31    0   56 o   37.638   16.345   5.3341   9.0797   5.3341   9.0797   5.3341   9.0797   37.638   23.116   37.638   23.116 0.000000 0.000000 
1 1 1  -31    0   57 o  100.683   14.576   33.989   9.9140   33.989   9.9140   33.989   9.9140  100.683   20.613  100.683   20.613 0.000000 0.000000 
1 1 1  -31    1    1 f  509.071   6.8100  701.904   18.731  692.380   26.223  711.824   26.764  505.551   9.5992  512.591   9.6624 -7.040497 13.62004 
1 1 1  -31    1    2 o  316.802   5.4005  271.668   9.2433  268.330   13.147  274.932   12.998  314.871   7.7268  318.734   7.5470 -3.862915 10.80097 
1 1 1  -31    1    3 o  314.038   5.3783  266.895   9.1267  267.958   12.919  265.836   12.895  314.663   7.5979  313.413   7.6142 1.249725 10.75658 
1 1 1  -31    1    4 o  350.219   5.5475  331.740   10.495  321.656   14.622  342.453   15.072  344.734   7.8494  355.704   7.8414 -10.97043 11.09505 
1 1 1  -31    1    5 o  105.376   8.6438   30.129   4.9108   32.892   7.0256   27.489   6.8669  110.116   11.807  100.637   12.627 9.479187 17.28757 
1 1 1  -31    1    6 o  110.961   8.1866   33.277   4.8971   36.644   7.1461   30.296   6.7243  116.242   11.377  105.681   11.775 10.56059 16.37327 
1 1 1  -31    1    7 o  167.009   6.2886   75.476   5.6687   80.668   8.1310   70.566   7.9073  172.600   8.7180  161.417   9.0654 11.18242 12.57715 
1 1 1  -31    1    8 f  165.978   6.1441   74.582   5.5098   73.707   7.7157   75.493   7.8707  164.986   8.6545  166.970   8.7234 -1.984055 12.28814 
1 1 1  -31    1    9 o   81.731   11.593   18.723   4.9365   16.133   6.7498   21.701   7.2384   75.478   16.962   87.983   15.806 -12.50432 23.18513 
1 1 1  -31    1   10 o  167.747   6.3121   76.054   5.7139   81.762   8.2769   70.857   7.8978  173.753   8.8155  161.742   9.0364 12.01105 12.62417 
1 1 1  -31    1   11 o   58.444   13.733   8.7656   5.0831   10.239   7.3750   7.4328   7.0156   61.754   19.642   55.134   19.198 6.620262 27.46635 
1 1 1  -31    1   12 f  322.155   5.4916  280.957   9.5598  282.616   13.525  279.302   13.514  323.107   7.7466  321.203   7.7861 1.903625 10.98327 
1 1 1  -31    1   13 o  294.019   5.5537  234.059   8.8224  234.299   12.376  233.811   12.579  294.177   7.7857  293.861   7.9219 0.3167114 11.10739 
1 1 1  -31    1   14 o  321.605   6.7344  282.557   11.151  287.826   13.882  272.973   18.722  326.028   7.8796  317.181   10.923 8.847015 13.46883 
1 1 1  -31    1   15 o  249.090   7.1480  174.678   8.9271  150.135   15.269  187.424   11.004  235.094   12.019  263.086   7.7403 -27.99217 14.29597 
1 1 1  -31    1   16 o  400.755   8.4279  435.135   18.251   0.0000   0.0000  435.135   18.251  ?   ?   400.755   8.4279      ?      ? 
1 1 1  -31    1   17 o  193.979   7.3247   97.754   7.3146   88.815   8.9005  116.351   12.838  180.999   9.1001  206.959   11.480 -25.95943 14.64930 
1 1 1  -31    1   18 o  228.915   6.8484  140.894   8.0593  138.163   9.9212  146.194   13.819  225.816   8.1306  232.013   11.023 -6.196640 13.69683 
1 1 1  -31    1   19 o  257.837   5.5395  179.953   7.7147  186.592   11.094  173.736   10.735  262.439   7.8230  253.234   7.8451 9.204712 11.07903 
1 1 1  -31    1   20 o  293.278   5.5188  232.934   8.7438  226.535   12.216  239.657   12.521  289.148   7.8185  297.408   7.7910 -8.260010 11.03758 
1 1 1  -31    1   21 o  217.361   5.8631  128.050   6.8855  125.249   9.6565  130.947   9.8208  214.941   8.3140  219.780   8.2693 -4.838516 11.72626 
1 1 1  -31    1   22 o  380.006   5.9300  391.336   12.172  380.462   16.949  402.920   17.493  374.560   8.3740  385.452   8.3985 -10.89249 11.85992 
1 1 1  -31    1   23 o  266.939   5.5973  193.200   8.0724  194.335   11.538  192.111   11.298  267.700   7.9761  266.178   7.8550 1.521881 11.19463 
1 1 1  -31    1   24 o  211.004   7.4389  118.238   8.0982  111.912   9.9405  130.721   13.964  203.000   9.0620  219.008   11.799 -16.00775 14.87773 
1 1 1  -31    1   27 o  318.397   7.0137  277.175   11.503  280.581   14.307  270.946   19.346  321.509   8.2353  315.284   11.356 6.224945 14.02744 
1 1 1  -31    1   28 o  183.657   6.3814   91.845   6.3219   86.700   9.0171   96.820   8.8658  178.549   9.3459  188.765   8.6917 -10.21614 12.76288 
1 1 1  -31    1   29 o  191.229   6.2864   99.353   6.4927  103.127   9.3537   95.843   9.0195  194.730   8.8892  187.727   8.8914 7.003235 12.57274 
1 1 1  -31    1   30 o  205.622   5.9629  114.931   6.6241  118.125   9.4613  111.860   9.2771  208.428   8.4005  202.816   8.4649 5.612000 11.92575 
1 1 1  -31    1   31 o  272.088   5.6194  201.189   8.2601  202.802   11.827  199.654   11.541  273.138   8.0133  271.037   7.8801 2.100891 11.23873 
1 1 1  -31    1   32 o   83.727   12.099   20.073   5.3787   14.682   7.5698   25.571   7.6441   71.200   19.225   96.254   14.697 -25.05333 24.19898 
1 1 1  -31    1   33 o  329.737   5.6489  295.729   10.064  297.026   14.331  294.466   14.138  330.440   8.0259  329.034   7.9516 1.406250 11.29788 
1 1 1  -31    1   34 o  127.731   7.9841   45.004   5.4745   39.965   7.8512   49.773   7.6375  120.600   12.048  134.862   10.480 -14.26199 15.96813 
1 1 1  -31    1   35 o  137.124   7.4603   51.570   5.5233   53.863   7.8036   49.269   7.8188  140.226   10.299  134.022   10.796 6.203995 14.92056 
1 1 1  -31    1   36 o  258.100   5.6324  181.421   7.8523  175.551   10.932  187.677   11.286  253.788   7.9718  262.411   7.9589 -8.622589 11.26473 
1 1 1  -31    1   37 o   72.872   12.953   15.545   5.1576   19.278   7.4164   12.049   7.1775   81.277   17.411   64.467   19.183 16.81011 25.90604 
1 1 1  -31    1   38 o  142.596   7.3182   55.827   5.6360   54.700   7.8179   57.046   8.1324  141.121   10.252  144.070   10.446 -2.949066 14.63645 
1 1 1  -31    1   39 o  216.849   5.9925  128.523   7.0180  134.000   10.113  123.436   9.7466  221.306   8.4570  212.392   8.4924 8.914124 11.98500 
1 1 1  -31    1   40 o  221.970   5.9060  134.811   7.0614  120.878   9.8437  149.582   10.135  210.047   8.6727  233.894   8.0193 -23.84682 11.81206 
1 1 1  -31    1   41 o  118.847   8.7692   39.850   5.5419   46.570   7.7124   32.677   7.9687  129.721   11.003  107.973   13.658 21.74860 17.53839 
1 1 1  -31    1   42 o   78.514   12.234   18.498   5.2764   10.822   7.4958   26.037   7.4285   61.005   19.842   96.024   14.316 -35.01901 24.46789 
1 1 1  -31    1   43 o  113.646   9.6012   36.349   5.8957   36.101   8.2797   36.604   8.3971  113.270   13.527  114.021   13.629 -0.7516861 19.20233 
1 1 1  -31    1   44 o   62.458   13.052   10.949   5.2850   18.634   7.4863   3.3138   7.4619   78.589   18.014   46.326   18.892 32.26311 26.10327 
1 1 1  -31    1   45 o   90.625   12.175   24.666   5.7564   16.340   8.0272   33.481   8.2594   72.755   19.861  108.495   14.088 -35.74034 24.35044 
1 1 1  -31    1   46 o   52.722   13.761   7.1948   5.1955   6.0916   7.2929   8.3317   7.4035   50.475   19.250   54.969   19.670 -4.493885 27.52187 
1 1 1  -31    1   47 o   63.024   14.275   11.936   5.6593   15.671   8.0021   8.2001   8.0046   70.823   20.020   55.224   20.353 15.59894 28.54921 
1 1 1  -31    1   48 o   55.557   14.272   8.1471   5.6736   11.586   8.1066   4.8449   7.9433   61.910   20.659   49.203   19.696 12.70681 28.54326 
1 1 1  -31    1   49 o   50.815   14.393   5.4895   6.0212   4.2790   8.5082   6.7039   8.5222   48.911   20.085   52.719   20.620 -3.808060 28.78536 
1 1 1  -31    1   50 o   44.333   13.153   0.9407   5.6515  -4.7877   7.9521   6.7870   8.0335   36.602   16.952   52.063   20.115 -15.46167 26.30534 
1 1 1  -31    1   51 o   69.453   13.798   14.710   6.1174   4.9658   8.3339   26.095   9.0081   48.747   19.931   90.159   19.085 -41.41184 27.59514 
1 1 1  -31    1   52 o   73.032   18.984   18.982   9.9911   15.083   14.898   22.169   13.469   68.088   27.065   77.977   26.627 -9.889450 37.96716 
1 1 1  -31    1   54 o   75.280   26.821   22.838   13.751   0.0000   0.0000   22.838   13.751  ?   ?    75.280   26.821      ?      ? 
1 1 1  -31    1   55 o   59.980   15.078   11.973   6.5885   18.750   9.3823   5.3796   9.2541   71.294   22.082   48.666   20.537 22.62850 30.15569 
1 1 1  -31    1   56 o   65.126   15.370   15.369   6.3588   14.091   8.8929   16.706   9.0959   62.646   21.626   67.606   21.847 -4.959732 30.74061 
1 1 1  -31    1   57 f   53.954   15.019   9.9192   6.4649   7.7721   8.9503   12.261   9.3482   50.409   20.638   57.499   21.826 -7.089973 30.03875 
1 1 1  -31    2    1 o  144.881   6.5972   56.896   5.1554   56.195   7.4963   57.525   7.1013  144.021   9.6323  145.740   9.0172 -1.718918 13.19435 
1 1 1  -31    2    2 o  431.778   6.0992  504.769   14.229  506.738   20.312  502.872   19.938  432.598   8.6892  430.958   8.5615 1.639374 12.19844 
1 1 1  -31    2    3 o  381.310   5.7683  393.522   11.877  395.627   17.135  391.576   16.478  382.278   8.2952  380.341   8.0176 1.937164 11.53658 
1 1 1  -31    2    4 o  138.476   6.9753   51.886   5.1798   61.017   7.5146   43.620   7.1496  150.091   9.2654  126.862   10.429 23.22990 13.95066 
1 1 1  -31    2    5 o  372.206   5.6702  374.667   11.395  383.108   16.512  366.991   15.746  376.196   8.1225  368.216   7.9139 7.980011 11.34044 
1 1 1  -31    2    6 o   28.825   9.8201  -9.8860   4.5410 -10.2983   6.3682  -9.4595   6.4770   28.305   13.684   29.346   14.089 -1.040455 19.64018 
1 1 1  -31    2    7 o  183.464   5.9178   91.128   5.8662   89.387   8.2724   92.889   8.3199  181.699   8.4254  185.230   8.3123 -3.531128 11.83563 
1 1 1  -31    2    8 o  253.097   5.3680  173.410   7.3396  169.032   10.392  177.767   10.368  249.903   7.6956  256.291   7.4861 -6.387634 10.73609 
1 1 1  -31    2    9 o  501.233   6.7633  680.605   18.316  685.403   26.148  675.982   25.664  502.959   9.6210  499.507   9.5083 3.452454 13.52666 
1 1 1  -31    2   10 o  361.564   5.6896  353.917   11.116  351.248   15.702  356.597   15.738  360.195   8.0675  362.932   8.0251 -2.736206 11.37917 
1 1 1  -31    2   11 o  205.095   5.8083  113.788   6.4243  115.527   9.4185  112.275   8.7851  206.547   8.4387  203.643   7.9835 2.903656 11.61669 
1 1 1  -31    2   12 o  181.811   6.1881   89.649   6.0665   96.574   8.5922   82.764   8.5664  188.838   8.4203  174.783   9.0701 14.05556 12.37611 
1 1 1  -31    2   13 o  123.246   9.3757   40.736   6.0257   39.258   7.5248   43.378   10.060  120.260   11.579  126.231   14.749 -5.971306 18.75139 
1 1 1  -31    2   14 o  113.130   10.247   33.516   6.1252   28.766   7.7338   41.509   10.033  102.820   13.920  123.439   15.041 -20.61942 20.49357 
1 1 1  -31    2   15 o  284.091   6.6635  218.534   9.6406  219.595   16.725  218.006   11.798  284.447   10.881  283.735   7.6949 0.7110291 13.32701 
1 1 1  -31    2   16 o  189.200   8.5157  103.528   7.5942   84.099   14.162  111.369   8.9971  175.647   14.921  202.754   8.2120 -27.10701 17.03140 
1 1 1  -31    2   17 o  241.783   7.1111  158.888   8.5853  157.883   15.414  159.340   10.337  241.033   11.835  242.533   7.8875 -1.500641 14.22213 
1 1 1  -31    2   18 o  406.678   7.4470  447.287   15.405  443.967   18.807  454.054   26.852  404.718   8.5997  408.639   12.160 -3.920685 14.89403 
1 1 1  -31    2   19 o  295.407   6.8418  236.570   10.309  236.158   12.639  237.387   17.820  295.228   7.9227  295.585   11.157 -0.3569946 13.68367 
1 1 1  -31    2   20 o   62.241   13.264   10.092   5.2362   16.321   7.4104   3.8808   7.3999   75.639   18.324   48.842   19.182 26.79700 26.52770 
1 1 1  -31    2   21 o  117.287   8.9098   37.550   5.6270   41.130   7.9553   33.965   7.9603  122.940   11.975  111.634   13.196 11.30614 17.81953 
1 1 1  -31    2   22 o  359.462   5.8278  350.417   11.319  346.228   16.016  354.596   16.000  357.308   8.2953  361.617   8.1879 -4.309601 11.65565 
1 1 1  -31    2   23 o  185.510   6.3507   93.219   6.3587   97.972   9.2667   88.990   8.7414  189.964   9.0275  181.056   8.9347 8.908051 12.70135 
1 1 1  -31    2   24 o  512.265   9.8914  717.785   27.380  716.441   38.610  719.144   38.834  511.795   13.961  512.734   14.016 -0.9396667 19.78273 
1 1 1  -31    2   26 o  381.590   11.935  397.072   24.610   0.0000   0.0000  397.072   24.610  ?   ?   381.590   11.935      ?      ? 
1 1 1  -31    2   27 o  137.350   9.2281   49.920   6.7185   43.433   8.5444   60.428   10.874  126.097   12.540  148.602   13.542 -22.50432 18.45618 
1 1 1  -31    2   28 o  269.013   5.5173  196.319   8.0178  190.877   11.178  202.085   11.506  265.176   7.8011  272.850   7.8042 -7.673706 11.03466 
1 1 1  -31    2   29 o  224.718   5.7889  136.992   7.0236  143.128   10.183  131.424   9.7002  229.506   8.2111  219.929   8.1623 9.576996 11.57774 
1 1 1  -31    2   30 o  172.861   6.5177   81.347   6.0828   86.039   8.6786   76.816   8.5280  177.786   9.0336  167.936   9.3976 9.850220 13.03537 
1 1 1  -31    2   31 o   63.333   12.754   9.7162   5.2929   1.0253   7.1760   20.086   7.8385   43.221   18.154   83.444   17.919 -40.22281 25.50775 
1 1 1  -31    2   32 o  208.238   5.9565  118.070   6.6960  119.929   9.3124  116.079   9.6351  209.974   8.2075  206.502   8.6347 3.471848 11.91300 
1 1 1  -31    2   33 o   50.718   13.279   4.8552   5.1439   9.6195   7.2513   0.0295   7.2980   59.418   19.525   42.019   18.002 17.39888 26.55750 
1 1 1  -31    2   34 o  231.683   5.8056  146.253   7.2533  145.301   10.582  147.096   9.9614  230.910   8.4810  232.456   7.9304 -1.545990 11.61110 
1 1 1  -31    2   35 o   97.379   10.414   26.873   5.2485   20.985   7.3293   33.070   7.5192   85.288   16.500  109.470   12.711 -24.18109 20.82842 
1 1 1  -31    2   36 o  107.216   13.154   31.807   7.6207   31.807   7.6207   0.0000   0.0000  107.216   13.154  ?   ?       ?      ? 
1 1 1  -31    2   37 o   85.526   11.528   20.797   5.1775   10.362   6.9394   33.898   7.7758   60.409   19.036  110.642   13.006 -50.23298 23.05508 
1 1 1  -31    2   38 o   35.245   11.407  -4.8489   4.9622  -7.9663   6.9956  -1.6920   7.0398   31.858   15.111   38.632   17.091 -6.774328 22.81322 
1 1 1  -31    2   39 o  187.654   6.4288   96.158   6.5041  102.534   9.6018   90.752   8.8416  193.349   9.1901  181.960   8.9923 11.38910 12.85767 
1 1 1  -31    2   40 o  186.193   6.3830   95.110   6.4078   87.013   8.9721  103.539   9.1547  178.009   9.3275  194.378   8.7159 -16.36871 12.76592 
1 1 1  -31    2   41 o   76.545   13.488   17.606   5.5639   16.405   7.7825   18.861   7.9576   73.816   19.295   79.275   18.852 -5.459373 26.97569 
1 1 1  -31    2   42 o   72.000   13.128   15.413   5.2914   21.052   7.7029   10.374   7.2813   84.121   17.515   59.878   19.560 24.24338 26.25606 
1 1 1  -31    2   43 o  168.674   6.8210   78.472   6.2122   82.804   8.8734   74.308   8.7000  173.300   9.4755  164.048   9.8144 9.251556 13.64209 
1 1 1  -31    2   44 o  137.197   8.1040   52.507   6.0066   52.073   8.3885   52.964   8.6048  136.653   11.360  137.740   11.561 -1.087433 16.20807 
1 1 1  -31    2   45 o   42.086   12.461   0.0509   5.1436   5.7657   7.1686  -6.0132   7.3844   49.834   19.066   34.338   16.049 15.49565 24.92123 
1 1 1  -31    2   46 o  109.128   9.4074   33.799   5.5310   30.494   7.7052   37.312   7.9443  103.431   13.786  114.824   12.804 -11.39359 18.81482 
1 1 1  -31    2   47 o  155.936   7.7675   68.040   6.5333   73.585   9.3509   62.751   9.1318  162.298   10.662  149.574   11.298 12.72372 15.53504 
1 1 1  -31    2   48 o   82.383   13.328   21.160   5.8890   15.418   8.2962   26.993   8.3608   70.018   20.570   94.749   16.952 -24.73112 26.65518 
1 1 1  -31    2   49 o   58.020   14.465   9.9420   5.6471   10.584   8.0242   9.3124   7.9488   59.301   20.539   56.739   20.373 2.562778 28.92916 
1 1 1  -31    2   50 o   74.530   13.762   17.566   5.8443   11.168   8.1169   24.454   8.4216   60.319   20.670   88.740   18.174 -28.42032 27.52337 
1 1 1  -31    2   51 o   55.691   14.260   8.4796   5.9080   2.7128   8.2925   14.424   8.4194   45.397   19.312   65.986   20.987 -20.58878 28.52048 
1 1 1  -31    2   52 o   98.269   27.240   35.608   14.967   0.0000   0.0000   35.608   14.967  ?   ?    98.269   27.240      ?      ? 
1 1 1  -31    2   54 o   48.610   15.344  -3.9170   9.0490 -19.1622   12.511   12.809   13.104   36.084   17.804   61.137   24.995 -25.05322 30.68725 
1 1 1  -31    2   55 o   46.597   13.842   2.3673   6.3847   10.331   9.1327  -5.2456   8.9294   56.118   21.508   37.076   17.430 19.04158 27.68377 
1 1 1  -31    2   56 o   50.644   20.928   6.9306   9.3122   0.0000   0.0000   6.9306   9.3122  ?   ?    50.644   20.928      ?      ? 
1 1 1  -31    3    1 o  369.215   5.6627  369.005   11.291  369.703   16.248  368.353   15.703  369.541   8.1366  368.889   7.8779 0.6524048 11.32539 
1 1 1  -31    3    2 o  324.796   5.4411  285.480   9.5449  273.355   13.400  297.967   13.599  317.788   7.8033  331.803   7.5849 -14.01474 10.88219 
1 1 1  -31    3    3 o  126.961   7.3068   43.788   5.0004   40.651   7.1215   46.838   7.0229  122.449   10.763  131.474   9.8853 -9.024605 14.61363 
1 1 1  -31    3    4 o  219.983   5.4072  131.015   6.4181  130.253   9.3193  131.703   8.8518  219.364   7.8619  220.603   7.4256 -1.238861 10.81430 
1 1 1  -31    3    5 o  187.610   7.9960   95.280   8.1062   0.0000   0.0000   95.280   8.1062  ?   ?   187.610   7.9960      ?      ? 
1 1 1  -31    3    6 o  418.460   8.4492  474.132   19.105   0.0000   0.0000  474.132   19.105  ?   ?   418.460   8.4492      ?      ? 
1 1 1  -31    3    7 o  372.229   5.7465  374.847   11.550  381.272   16.722  368.987   15.971  375.266   8.2461  369.193   8.0057 6.073181 11.49304 
1 1 1  -31    3    8 o  210.821   5.7014  120.168   6.4893  123.952   9.4225  116.753   8.9502  213.969   8.1494  207.672   7.9756 6.296997 11.40278 
1 1 1  -31    3    9 o  199.832   5.8552  108.257   6.3116  105.529   9.1306  110.753   8.7344  197.404   8.5597  202.261   7.9916 -4.856995 11.71037 
1 1 1  -31    3   10 o  131.857   7.6991   47.638   5.4197   39.788   7.7522   55.143   7.5798  121.076   11.849  142.639   9.8341 -21.56233 15.39824 
1 1 1  -31    3   11 o  155.802   9.4995   65.783   7.9977   65.783   7.9977   0.0000   0.0000  155.802   9.4995  ?   ?       ?      ? 
1 1 1  -31    3   12 o  324.840   6.7154  284.038   11.173  279.945   13.714  292.117   19.268  321.541   7.8930  328.139   10.867 -6.597778 13.43076 
1 1 1  -31    3   13 o  239.667   6.5739  156.327   8.2023  158.137   10.334  153.243   13.485  241.654   7.9137  237.680   10.499 3.974289 13.14781 
1 1 1  -31    3   14 o   79.281   13.016   19.287   5.7778   8.3356   9.3068   26.155   7.3701   60.533   22.001   98.030   13.913 -37.49691 26.03146 
1 1 1  -31    3   15 o  359.768   6.9462  349.799   12.715  354.730   22.147  347.375   15.529  361.425   11.340  358.111   8.0249 3.313782 13.89233 
1 1 1  -31    3   16 o  177.593   6.4221   85.846   6.1375   78.526   8.8013   92.776   8.5630  170.161   9.5719  185.026   8.5645 -14.86472 12.84416 
1 1 1  -31    3   17 o  255.723   6.9239  177.228   8.8598  177.883   15.887  176.933   10.674  255.869   11.490  255.577   7.7287 0.2917786 13.84786 
1 1 1  -31    3   18 o  123.179   10.854   41.148   6.5820   42.095   12.192   40.758   7.8194  123.913   18.208  122.444   11.818 1.468925 21.70732 
1 1 1  -31    3   19 o  368.849   7.1932  368.511   13.519  366.850   16.546  371.847   23.449  367.892   8.3230  369.805   11.734 -1.913483 14.38645 
1 1 1  -31    3   20 o  162.028   8.2103   70.521   6.8835   68.448   8.5209   74.414   11.679  158.785   9.9309  165.271   13.077 -6.486252 16.42058 
1 1 1  -31    3   21 o  474.735   6.6350  611.408   17.016  599.440   23.713  624.113   24.431  469.958   9.3376  479.512   9.4288 -9.553253 13.27004 
1 1 1  -31    3   22 o  165.382   6.8768   74.295   6.1455   74.585   8.6842   74.004   8.6979  165.708   9.6983  165.056   9.7520 0.6516876 13.75356 
1 1 1  -31    3   23 o  138.896   9.6054   52.943   6.9148   53.542   8.6642   51.892   11.476  140.210   11.436  137.582   15.436 2.628250 19.21089 
1 1 1  -31    3   24 o  329.381   8.0984  295.505   14.412  300.225   20.611  290.991   20.158  331.944   11.491  326.817   11.415 5.126617 16.19677 
1 1 1  -31    3   26 o   93.420   15.456   25.174   8.3109   11.707   11.858   38.176   11.651   69.282   24.883  117.558   18.342 -48.27596 30.91224 
1 1 1  -31    3   27 o  530.873   8.7797  778.515   24.174  802.367   30.478  738.063   39.692  542.835   10.390  518.910   14.155 23.92499 17.55939 
1 1 1  -31    3   28 o  330.336   5.6900  296.222   10.152  300.106   14.629  292.615   14.099  332.403   8.1444  328.269   7.9481 4.133545 11.37997 
1 1 1  -31    3   29 o  195.434   6.2754  103.923   6.6260  101.951   9.3901  105.878   9.3512  193.572   8.9772  197.296   8.7712 -3.724823 12.55089 
1 1 1  -31    3   30 o  143.412   7.5405   56.170   5.8422   57.285   8.2415   55.043   8.2830  144.862   10.528  141.961   10.798 2.901184 15.08103 
1 1 1  -31    3   31 o  277.341   5.6937  209.155   8.5316  205.123   12.074  213.176   12.057  274.652   8.1353  280.029   7.9680 -5.376129 11.38741 
1 1 1  -31    3   32 o  225.316   5.7448  138.057   6.9904  139.053   10.076  137.132   9.7060  226.077   8.2481  224.555   7.9989 1.520966 11.48967 
1 1 1  -31    3   33 o  282.154   5.6922  216.596   8.6772  218.677   12.405  214.601   12.143  283.469   8.0982  280.839   8.0014 2.630219 11.38431 
1 1 1  -31    3   34 o  103.962   9.6374   29.981   5.3927   27.569   7.7331   32.265   7.5241   99.750   14.347  108.173   12.872 -8.423805 19.27487 
1 1 1  -31    3   35 o  216.704   5.9367  128.100   6.9422  119.435   9.7452  137.029   9.8919  209.207   8.6203  224.201   8.1650 -14.99350 11.87338 
1 1 1  -31    3   36 o   72.498   13.106   15.272   5.1840   12.470   7.0692   18.533   7.6249   65.473   18.918   79.523   18.145 -14.05047 26.21270 
1 1 1  -31    3   37 o   92.817   11.258   25.218   5.3601   30.952   7.3743   18.795   7.8047  105.720   12.909   79.914   18.448 25.80613 22.51535 
1 1 1  -31    3   38 o  158.122   6.8601   68.628   5.8568   65.277   8.2623   72.012   8.3033  154.187   9.9166  162.058   9.4818 -7.870270 13.72022 
1 1 1  -31    3   39 o  147.523   7.1380   59.989   5.6796   62.070   7.8905   57.752   8.1818  150.281   9.7166  144.765   10.459 5.516113 14.27606 
1 1 1  -31    3   40 o   94.050   11.302   26.659   5.3188   14.334   7.4991   39.135   7.5450   69.298   19.308  118.802   11.753 -49.50359 22.60345 
1 1 1  -31    3   41 o  208.765   6.0541  119.287   6.8210  127.520   9.9045  111.860   9.4074  215.623   8.5006  201.907   8.6224 13.71660 12.10812 
1 1 1  -31    3   42 o  147.331   7.6573   60.318   6.0747   54.761   8.6067   65.834   8.5752  140.369   11.347  154.292   10.285 -13.92230 15.31460 
1 1 1  -31    3   43 o  160.402   7.4178   71.267   6.4286   70.255   9.0018   72.320   9.1838  159.252   10.461  161.552   10.520 -2.299942 14.83569 
1 1 1  -31    3   44 o   47.384   12.272   0.2444   5.2622   12.747   7.5864 -11.3489   7.3054   64.918   19.814   29.850   14.484 35.06840 24.54364 
1 1 1  -31    3   45 o   91.128   11.398   24.209   5.4855   26.744   8.0551   22.017   7.4910   96.405   15.463   85.850   16.749 10.55497 22.79523 
1 1 1  -31    3   46 o   43.256   13.058   0.9789   5.4868  -1.9223   8.0943   3.4451   7.4630   40.366   18.062   46.146   18.864 -5.779480 26.11660 
1 1 1  -31    3   47 o   64.861   14.353   12.959   5.5915   13.374   7.7516   12.510   8.0733   65.787   20.017   63.935   20.574 1.851967 28.70530 
1 1 1  -31    3   48 o   76.651   13.697   18.381   5.6753   17.956   7.9794   18.817   8.0736   75.728   19.410   77.575   19.330 -1.846497 27.39348 
1 1 1  -31    3   49 o   88.973   12.628   24.175   5.9555   28.619   8.5295   19.948   8.3190   98.577   16.013   79.368   19.530 19.20863 25.25528 
1 1 1  -31    3   50 o  160.913   7.7477   73.130   6.7315   73.486   9.3537   72.748   9.6950  161.467   10.720  160.358   11.188 1.109436 15.49543 
1 1 1  -31    3   51 o  166.528   7.7141   78.755   6.9322   82.414   10.132   75.534   9.5047  170.066   11.026  162.990   10.792 7.076202 15.42823 
1 1 1  -31    3   54 o   44.041   14.643  -4.5954   8.8625  -1.4086   13.199  -7.2117   11.959   46.957   21.780   41.125   19.579 5.832005 29.28674 
1 1 1  -31    3   55 o   46.593   14.128   3.6621   6.3795   4.7788   9.0257   2.5474   9.0181   48.009   20.272   45.176   19.683 2.832779 28.25585 
1 1 1  -31    3   56 o  106.083   12.373   36.594   6.8765   30.950   9.3638   43.202   10.131   95.454   18.823  116.711   16.064 -21.25671 24.74576 
1 1 1  -31    4    1 o  183.712   5.7835   90.890   5.7209   97.089   8.5417   85.846   7.7042  189.355   8.3480  178.069   8.0067 11.28549 11.56698 
1 1 1  -31    4    2 o   45.278   18.095   2.7771   6.6924   2.7771   6.6924   0.0000   0.0000   45.278   18.095  ?   ?       ?      ? 
1 1 1  -31    4    3 o  252.383   5.2464  172.537   7.1483  168.202   10.250  176.641   9.9739  249.283   7.6093  255.483   7.2246 -6.199158 10.49273 
1 1 1  -31    4    4 o  193.777   5.6897  100.903   5.9237  108.507   8.9754   95.034   7.8849  200.186   8.2972  187.369   7.7877 12.81607 11.37947 
1 1 1  -31    4    5 o  496.605   6.7248  668.074   18.044  656.472   25.320  680.046   25.721  492.224   9.5196  500.986   9.5011 -8.762604 13.44964 
1 1 1  -31    4    6 o  319.310   5.4420  276.041   9.3862  266.542   13.251  285.607   13.297  313.787   7.8150  324.834   7.5755 -11.04678 10.88399 
1 1 1  -31    4    7 f  377.258   5.7691  385.192   11.757  372.506   16.456  398.419   16.804  370.911   8.2106  383.605   8.1067 -12.69449 11.53828 
1 1 1  -31    4    8 o  295.504   5.4644  236.475   8.7224  231.817   12.418  241.011   12.255  292.622   7.8532  298.387   7.6003 -5.765259 10.92876 
1 1 1  -31    4    9 o  412.737   6.0573  461.399   13.509  458.396   19.123  464.391   19.087  411.392   8.6023  414.082   8.5302 -2.689972 12.11461 
1 1 1  -31    4   10 o  415.279   6.0985  466.937   13.678  473.021   19.723  461.301   18.985  417.870   8.7345  412.688   8.5133 5.181976 12.19703 
1 1 1  -31    4   11 o  286.647   6.5423  221.196   9.7275  217.493   12.111  227.928   16.329  283.406   7.9083  289.888   10.424 -6.481720 13.08457 
1 1 1  -31    4   12 o  168.651   7.8421   78.650   6.8269   82.539   8.6008   72.027   11.224  174.516   9.1204  162.786   12.760 11.72989 15.68421 
1 1 1  -31    4   13 o  270.736   6.6822  196.954   9.2025  203.919   16.118  193.586   11.209  274.105   10.882  267.367   7.7583 6.738159 13.36449 
1 1 1  -31    4   14 o  166.738   8.1225   78.223   6.8307   67.455   11.561   83.998   8.4664  157.431   13.590  176.045   8.9000 -18.61423 16.24507 
1 1 1  -31    4   15 o  184.466   6.3045   92.440   6.2701   86.671   8.9592   97.977   8.7781  178.789   9.2734  190.143   8.5434 -11.35455 12.60897 
1 1 1  -31    4   16 o  190.812   6.1704   98.558   6.3573  102.066   9.2141   95.372   8.7827  194.043   8.7876  187.581   8.6646 6.462067 12.34086 
1 1 1  -31    4   17 o  238.315   5.6981  154.182   7.3229  144.508   10.438  163.559   10.276  230.913   8.3652  245.717   7.7394 -14.80449 11.39629 
1 1 1  -31    4   18 o   65.387   11.477   11.004   6.2213 -21.2793   11.527   24.274   7.3901   36.443   17.797   94.331   14.498 -57.88866 22.95478 
1 1 1  -31    4   19 o  336.687   5.7992  306.108   10.511  319.962   15.690  294.829   14.157  343.539   8.4518  329.836   7.9430 13.70276 11.59848 
1 1 1  -31    4   20 o  217.330   7.3802  127.153   8.1792  124.850   9.9862  131.847   14.257  214.559   8.6132  220.101   11.987 -5.542068 14.76048 
1 1 1  -31    4   21 o  190.366   6.4159   98.440   6.5941   95.068   9.4060  101.699   9.2471  187.136   9.3016  193.596   8.8393 -6.460632 12.83176 
1 1 1  -31    4   22 o  314.022   6.9901  265.310   11.241  259.769   13.776  276.351   19.446  309.444   8.2383  318.600   11.295 -9.156036 13.98028 
1 1 1  -31    4   23 o  326.197   8.0014  289.473   14.095  303.378   20.319  276.577   19.568  333.749   11.267  318.644   11.364 15.10547 16.00273 
1 1 1  -31    4   24 o  458.092   9.2474  573.031   22.884  579.054   32.836  567.342   31.909  460.386   13.199  455.798   12.955 4.587646 18.49480 
1 1 1  -31    4   25 o   93.525   23.463   25.405   11.837   0.0000   0.0000   25.405   11.837  ?   ?    93.525   23.463      ?      ? 
1 1 1  -31    4   26 o  376.064   8.4870  386.017   17.234  383.108   24.790  388.739   23.977  374.616   12.246  377.512   11.754 -2.895905 16.97395 
1 1 1  -31    4   27 o  357.679   7.1764  353.144   13.385  368.162   17.054  329.054   21.599  368.115   8.5734  347.243   11.511 20.87213 14.35273 
1 1 1  -31    4   28 o   72.960   13.432   15.105   5.4240   19.608   7.9820   11.241   7.3933   82.489   18.378   63.431   19.594 19.05841 26.86412 
1 1 1  -31    4   29 o   59.771   13.879   9.6854   5.1931   8.5065   7.7575   10.643   6.9906   57.855   20.186   61.688   19.053 -3.832958 27.75741 
1 1 1  -31    4   30 o   65.298   13.090   12.080   5.0290   7.5030   7.1494   16.563   7.0753   54.864   19.361   75.732   17.621 -20.86724 26.17927 
1 1 1  -31    4   31 o   93.103   10.503   24.228   5.1082   29.100   7.4320   19.866   7.0327  102.871   13.370   83.335   16.201 19.53651 21.00514 
1 1 1  -31    4   32 o  152.520   6.9512   63.229   5.6972   73.185   8.3287   54.474   7.8103  163.821   9.4085  141.218   10.235 22.60355 13.90235 
1 1 1  -31    4   33 o   64.404   13.449   11.896   5.0067   11.473   7.1060   12.312   7.0554   63.429   19.136   65.380   18.902 -1.950676 26.89705 
1 1 1  -31    4   34 o   68.603   13.657   13.732   5.3226   11.508   7.6306   15.840   7.4281   63.658   19.946   73.548   18.660 -9.890526 27.31431 
1 1 1  -31    4   35 o   51.490   13.595   5.9913   5.0846   5.5744   7.2200   6.4015   7.1617   50.743   19.201   52.238   19.252 -1.494728 27.19030 
1 1 1  -31    4   36 o   75.167   12.531   16.387   5.3605   23.943   7.5840   8.8429   7.5779   92.617   15.154   57.718   19.961 34.89816 25.06162 
1 1 1  -31    4   37 o   57.907   13.809   8.9123   5.2282   11.907   7.4758   6.0460   7.3144   64.164   19.684   51.651   19.373 12.51266 27.61847 
1 1 1  -31    4   38 o   33.328   11.039  -7.3120   5.0540  -3.5140   7.2538 -10.8952   7.0456   37.008   16.781   29.648   14.348 7.359529 22.07826 
1 1 1  -31    4   39 o  202.988   6.0999  112.854   6.6898  115.575   9.5014  110.180   9.4208  205.435   8.5590  200.541   8.6936 4.894577 12.19979 
1 1 1  -31    4   40 o   61.719   19.851   11.009   7.5168   11.009   7.5168   0.0000   0.0000   61.719   19.851  ?   ?       ?      ? 
1 1 1  -31    4   41 o  208.926   6.1636  119.379   6.9375  107.255   9.5091  133.175   10.144  197.557   8.9076  220.295   8.5213 -22.73857 12.32712 
1 1 1  -31    4   42 o   59.277   13.228   8.9613   5.4108   0.9867   7.6120   17.105   7.6925   43.345   18.473   75.210   18.939 -31.86509 26.45627 
1 1 1  -31    4   43 o  125.723   8.4864   44.167   5.7648   44.300   8.2135   44.038   8.0932  125.884   12.075  125.563   11.928 0.3210602 16.97277 
1 1 1  -31    4   44 o   66.063   12.892   12.155   5.3994   22.182   7.9098   3.4061   7.3886   85.918   17.628   46.209   18.816 39.70828 25.78361 
1 1 1  -31    4   45 o   77.525   13.178   18.343   5.4581   20.579   7.9512   16.350   7.5058   82.136   18.374   72.913   18.896 9.222641 26.35658 
1 1 1  -31    4   46 o   71.305   13.760   15.781   5.5374   19.315   7.8712   12.319   7.7917   79.143   18.702   63.467   20.190 15.67666 27.52062 
1 1 1  -31    4   47 o   50.444   13.435   4.2563   5.5072  -2.4215   7.5513   11.843   8.0491   38.366   17.284   62.521   20.573 -24.15433 26.86927 
1 1 1  -31    4   48 o   41.901   12.585  -1.6628   5.5334   6.5828   7.8250  -9.9104   7.8260   51.710   19.887   32.092   15.428 19.61733 25.16994 
1 1 1  -31    4   49 o   69.342   14.666   15.375   5.9145   15.737   8.6088   15.051   8.1395   69.987   21.051   68.697   20.425 1.289993 29.33122 
1 1 1  -31    4   50 o   41.967   13.038  -0.2931   5.7973   2.6598   8.0821  -3.4228   8.3204   45.310   19.161   38.624   17.688 6.686085 26.07676 
1 1 1  -31    4   51 o   42.230   13.333  -1.1027   6.2369  -3.8522   8.5399   2.0402   9.1304   38.428   17.716   46.032   19.931 -7.604347 26.66649 
1 1 1  -31    4   54 o  124.512   11.296   49.089   7.0841   34.085   9.6990   66.247   10.372  100.590   18.526  148.434   12.931 -47.84412 22.59272 
1 1 1  -31    4   55 o   41.172   12.988  -3.0667   6.4344   5.9586   8.8729 -13.0771   9.3446   49.543   20.447   32.802   16.020 16.74031 25.97523 
1 1 1  -31    4   56 o   33.675   11.448  -9.6193   6.2683  -3.1987   8.5953 -16.9132   9.1611   37.505   17.457   29.845   14.816 7.660902 22.89629 
1 1 1  -31    5    1 o  109.267   8.2870   32.648   4.8308   30.750   7.3195   34.113   6.4303  106.386   12.732  112.149   10.611 -5.762558 16.57405 
1 1 1  -31    5    2 o  156.274   6.3631   66.418   5.3406   63.564   7.9035   68.815   7.2449  153.145   9.5506  159.402   8.4110 -6.256317 12.72629 
1 1 1  -31    5    3 o  267.555   5.3962  192.784   7.7681  204.225   11.653  183.633   10.421  274.647   7.8519  260.463   7.4044 14.18414 10.79247 
1 1 1  -31    5    4 o  184.930   5.9529   92.596   5.9462   93.416   8.5508   91.829   8.2744  185.717   8.5205  184.143   8.3156 1.573425 11.90584 
1 1 1  -31    5    5 o  339.117   5.5623  311.547   10.186  304.928   14.578  317.860   14.237  335.580   8.0395  342.654   7.6892 -7.073639 11.12457 
1 1 1  -31    5    6 o  355.220   5.6641  341.673   10.868  341.469   15.578  341.866   15.170  355.106   8.1183  355.334   7.9007 -0.2277222 11.32817 
1 1 1  -31    5    7 o  346.561   5.6349  325.257   10.548  313.645   14.876  336.998   14.959  340.328   8.0893  352.794   7.8468 -12.46597 11.26981 
1 1 1  -31    5    8 o  109.605   9.1542   32.619   5.3819   38.193   7.7937   27.538   7.4410  118.586   12.162  100.625   13.685 17.96088 18.30841 
1 1 1  -31    5    9 o  355.708   5.6985  342.713   10.950  340.379   15.655  344.949   15.321  354.510   8.1722  356.906   7.9439 -2.395782 11.39700 
1 1 1  -31    5   10 o  373.048   5.8742  376.289   11.823  388.535   17.303  365.562   16.193  378.714   8.4550  367.381   8.1570 11.33298 11.74834 
1 1 1  -31    5   11 o  480.220   8.0637  623.657   19.832  618.368   24.378  634.009   34.105  477.592   9.4461  482.847   13.071 -5.254364 16.12735 
1 1 1  -31    5   12 o  428.159   7.5195  491.619   16.221  513.739   29.000  481.546   19.569  434.756   12.344  421.562   8.5905 13.19458 15.03905 
1 1 1  -31    5   13 o  160.003   8.1575   71.993   6.5252   62.770   11.268   76.647   8.0038  151.842   13.733  168.165   8.8080 -16.32323 16.31495 
1 1 1  -31    5   14 o  132.716   7.7618   47.769   5.5533   48.659   8.1703   47.005   7.5710  133.844   11.297  131.588   10.647 2.255997 15.52368 
1 1 1  -31    5   15 o  196.180   6.1856  103.688   6.5315  111.434   9.7811   97.455   8.7746  202.738   8.9282  189.622   8.5635 13.11606 12.37119 
1 1 1  -31    5   16 o  296.776   5.5718  238.636   8.9199  238.390   12.998  238.855   12.263  296.607   8.1098  296.944   7.6426 -0.3370972 11.14353 
1 1 1  -31    5   17 o  223.232   5.8757  135.083   7.0789  134.773   10.264  135.365   9.7757  222.970   8.5192  223.495   8.0945 -0.5252533 11.75148 
1 1 1  -31    5   18 o  197.605   6.2394  105.933   6.6394  105.440   9.7920  106.353   9.0330  197.147   9.1917  198.062   8.4400 -0.9154510 12.47878 
1 1 1  -31    5   19 o  114.486   11.377   30.941   6.3577   48.423   12.822   25.242   7.3211  132.800   17.868   96.172   14.088 36.62816 22.75335 
1 1 1  -31    5   20 o  185.921   6.5600   93.772   6.5822   95.002   9.5782   92.671   9.0607  187.057   9.4760  184.785   9.0742 2.272141 13.12000 
1 1 1  -31    5   21 f  170.445   8.8256   73.492   7.4563   65.861   8.7426   93.851   14.280  155.630   10.396  185.260   14.265 -29.62965 17.65116 
1 1 1  -31    5   22 o  272.998   7.9914  203.021   11.785  209.144   16.678  196.914   16.655  277.142   11.137  268.855   11.464 8.287170 15.98285 
1 1 1  -31    5   23 o  285.902   7.9646  222.272   12.291  208.581   17.029  237.162   17.759  276.701   11.389  295.103   11.137 -18.40253 15.92916 
1 1 1  -31    5   24 f  463.784   8.1039  589.064   19.189  576.802   32.883  595.396   23.630  459.452   13.245  468.117   9.3416 -8.665344 16.20778 
1 1 1  -31    5   25 o  193.515   9.4577  103.340   9.7548   84.144   13.818  122.410   13.773  175.215   14.594  211.816   12.033 -36.60126 18.91536 
1 1 1  -31    5   26 o  411.626   8.8331  462.881   19.622  466.441   28.529  459.685   27.031  413.017   12.783  410.235   12.194 2.782349 17.66621 
1 1 1  -31    5   27 o  372.780   7.3125  382.461   14.188  393.468   17.960  364.189   23.141  380.443   8.7364  365.116   11.729 15.32645 14.62494 
1 1 1  -31    5   28 o  107.538   9.7708   31.812   5.6529   31.313   8.3571   32.233   7.6751  106.670   14.499  108.406   13.102 -1.735535 19.54160 
1 1 1  -31    5   29 o  166.563   6.7937   76.395   6.0423   68.950   8.9788   82.556   8.1689  158.938   10.454  174.189   8.6787 -15.25056 13.58732 
1 1 1  -31    5   30 o  106.780   9.4623   31.346   5.4586   31.202   7.7891   31.486   7.6520  106.517   13.533  107.043   13.229 -0.5254745 18.92460 
1 1 1  -31    5   31 o  140.959   7.5394   54.249   5.7282   55.118   8.4337   53.504   7.8047  141.955   10.995  139.963   10.319 1.992233 15.07887 
1 1 1  -31    5   32 o  105.108   10.382   32.128   5.4248   20.805   7.7475   43.019   7.5985   84.897   17.471  125.319   11.221 -40.42203 20.76373 
1 1 1  -31    5   33 o   41.460   12.383  -0.0671   4.9436  -3.9019   7.0557   3.6308   6.9286   36.237   16.477   46.682   18.489 -10.44486 24.76532 
1 1 1  -31    5   34 o   99.677   9.7556   27.794   5.1952   23.677   7.4716   31.648   7.2287   92.236   14.991  107.118   12.489 -14.88246 19.51121 
1 1 1  -31    5   35 o  124.009   8.7905   42.712   5.8493   37.811   8.3925   47.342   8.1569  116.859   13.290  131.159   11.509 -14.29979 17.58107 
1 1 1  -31    5   36 o  173.337   6.7216   82.170   6.2921   85.360   9.0848   79.229   8.7230  176.563   9.5219  170.112   9.4895 6.450943 13.44311 
1 1 1  -31    5   37 f   57.435   13.524   8.3675   5.1954   3.6368   7.1684   13.602   7.5404   46.916   18.735   67.955   19.510 -21.03961 27.04865 
1 1 1  -31    5   38 o  180.162   6.4619   89.127   6.2720   87.416   9.1809   90.624   8.5886  178.424   9.5223  181.900   8.7378 -3.475479 12.92377 
1 1 1  -31    5   39 o   80.143   12.011   19.141   5.1835   11.810   7.3968   26.214   7.2660   63.525   19.595   96.760   13.897 -33.23413 24.02260 
1 1 1  -31    5   40 o  104.524   9.9746   31.048   5.5641   26.789   8.0904   34.872   7.6645   97.257   15.394  111.791   12.688 -14.53439 19.94914 
1 1 1  -31    5   41 o   51.753   13.546   5.6749   5.2542   10.532   7.7124   1.4681   7.1775   60.510   20.149   42.996   18.112 17.51360 27.09290 
1 1 1  -31    5   42 o  118.331   9.8886   40.943   5.7143   24.277   7.9277   58.965   8.2440   90.732   16.788  145.930   10.455 -55.19765 19.77717 
1 1 1  -31    5   43 o   89.964   11.474   23.616   5.4587   24.271   7.6377   22.931   7.8044   92.142   15.340   87.786   17.067 4.356537 22.94759 
1 1 1  -31    5   44 o  140.410   7.8377   54.984   5.9229   61.630   8.5109   48.742   8.2477  148.831   10.583  131.989   11.564 16.84268 15.67536 
1 1 1  -31    5   45 o  120.656   8.9290   41.284   5.7706   35.057   8.1201   47.637   8.2022  111.037   13.533  130.276   11.651 -19.23911 17.85801 
1 1 1  -31    5   46 o  176.610   6.9282   86.573   6.6040   92.706   9.5171   80.878   9.1713  182.713   9.6394  170.507   9.9540 12.20576 13.85642 
1 1 1  -31    5   47 o   58.386   11.805   4.4694   5.8111   22.664   8.2105 -13.7932   8.2257   86.051   18.224   30.722   15.010 55.32931 23.60983 
1 1 1  -31    5   48 o   30.206   14.814 -14.4962   8.2454 -14.4962   8.2454   0.0000   0.0000   30.206   14.814  ?   ?       ?      ? 
1 1 1  -31    5   49 o   97.884   12.754   30.325   6.4449   46.368   9.2633   15.272   8.9726  126.941   13.504   68.826   21.640 58.11449 25.50779 
1 1 1  -31    5   50 o   48.243   13.877   4.7041   5.7466   2.4115   8.2358   6.8794   8.0223   45.003   19.198   51.483   20.042 -6.479588 27.75340 
1 1 1  -31    5   51 o   64.166   16.760   12.338   7.3757   9.5044   9.0826   17.827   12.639   56.966   21.540   71.366   25.683 -14.40008 33.52031 
1 1 1  -31    5   54 o   33.746   11.550 -10.1738   6.4797  -8.4209   9.0395 -12.0265   9.2932   34.609   16.623   32.883   16.041 1.725842 23.10065 
1 1 1  -31    5   55 o   61.237   15.495   13.061   6.5038   11.563   8.9632   14.727   9.4517   58.413   21.536   64.060   22.285 -5.646149 30.99090 
1 1 1  -31    5   56 o   40.311   13.075  -1.3061   6.5000  -3.8462   9.1293   1.3054   9.2568   37.807   17.725   42.814   19.225 -5.006966 26.14938 
1 1 1  -31    6    1 o  154.932   6.4576   64.974   5.3813   65.909   8.0301   64.211   7.2502  155.920   9.5308  153.943   8.7157 1.977814 12.91511 
1 1 1  -31    6    2 o  405.421   6.0108  445.329   13.159  444.011   18.945  446.557   18.292  404.821   8.6605  406.021   8.3374 -1.200439 12.02153 
1 1 1  -31    6    3 o   63.656   12.898   11.154   4.9667   5.5739   7.1789   16.277   6.8788   51.585   19.223   75.726   17.202 -24.14025 25.79625 
1 1 1  -31    6    4 o  284.153   5.4690  218.956   8.3846  207.251   11.945  230.324   11.772  276.635   7.9907  291.671   7.4692 -15.03568 10.93804 
1 1 1  -31    6    5 o  546.171   7.2426  808.884   21.365  815.840   30.746  802.389   29.711  548.414   10.375  543.929   10.108 4.484924 14.48523 
1 1 1  -31    6    6 o  166.066   6.4611   75.440   5.7419   65.379   8.2873   84.728   7.9630  155.275   9.8770  176.857   8.3323 -21.58252 12.92214 
1 1 1  -31    6    7 o  115.849   8.9404   36.762   5.3894   50.388   7.8814   24.796   7.3861  136.269   10.703   95.429   14.323 40.83984 17.88076 
1 1 1  -31    6    8 o  603.775   7.8342  989.518   25.559  977.716   36.003  1001.51   36.290  600.140   11.102  607.410   11.056 -7.269897 15.66834 
1 1 1  -31    6    9 o  278.069   5.5769  209.471   8.3697  208.363   12.121  210.480   11.571  277.349   8.0877  278.790   7.6810 -1.440704 11.15384 
1 1 1  -31    6   10 o  219.532   6.6864  131.303   7.7867  134.123   10.152  127.275   12.135  222.487   8.4444  216.576   10.369 5.910675 13.37281 
1 1 1  -31    6   11 o  183.599   6.3737   90.987   6.2888   94.968   9.4806   87.858   8.4038  187.145   9.3749  180.053   8.6375 7.092636 12.74739 
1 1 1  -31    6   12 o   97.703   12.154   24.755   6.0900   34.550   10.330   19.537   7.5397  112.404   17.007   83.003   17.368 29.40152 24.30796 
1 1 1  -31    6   13 o  339.926   5.7875  312.764   10.598  317.128   15.664  309.081   14.391  342.075   8.4743  337.776   7.8845 4.298615 11.57495 
1 1 1  -31    6   14 o  133.900   7.7431   47.579   5.5378   57.786   8.6133   40.387   7.2302  145.862   10.928  121.939   10.973 23.92326 15.48624 
1 1 1  -31    6   15 o  158.499   7.0107   67.519   5.9590   73.389   9.1290   63.161   7.8659  164.417   10.275  152.581   9.5403 11.83627 14.02131 
1 1 1  -31    6   16 o  225.773   5.8733  138.632   7.1412  129.299   10.282  147.329   9.9259  218.371   8.7135  233.175   7.8777 -14.80421 11.74663 
1 1 1  -31    6   17 o  265.523   5.6739  190.648   8.1135  196.234   12.049  186.013   10.975  269.046   8.2874  262.001   7.7519 7.045166 11.34784 
1 1 1  -31    6   18 f  240.073   5.8009  155.857   7.4971  160.769   11.165  151.824   10.117  243.479   8.4862  236.667   7.9111 6.812317 11.60176 
1 1 1  -31    6   19 o   35.645   11.694  -7.5175   5.3905  -3.0985   8.1503 -10.9535   7.1868   40.832   18.208   30.459   14.678 10.37388 23.38743 
1 1 1  -31    6   20 o  386.167   7.6404  406.616   14.743  403.378   26.416  408.081   17.767  384.532   12.713  387.802   8.4784 -3.269836 15.28073 
1 1 1  -31    6   21 o  119.908   12.562   39.692   8.1097   35.721   11.432   43.716   11.506  113.745   18.599  126.070   16.890 -12.32440 25.12379 
1 1 1  -31    6   22 o  157.114   13.336   67.455   11.322   67.455   11.322   0.0000   0.0000  157.114   13.336  ?   ?       ?      ? 
1 1 1  -31    6   23 o  186.050   7.8953   91.204   7.6313  105.293   13.049   83.881   9.4078  196.456   12.292  175.643   9.9121 20.81258 15.79064 
1 1 1  -31    6   24 o  380.436   6.0462  393.104   12.415  389.945   17.950  396.001   17.190  378.923   8.7666  381.950   8.3289 -3.026642 12.09233 
1 1 1  -31    6   25 o  193.809   9.4654  103.910   9.7913   87.320   14.061  119.527   13.643  178.395   14.586  209.223   12.067 -30.82799 18.93070 
1 1 1  -31    6   26 o  234.439   8.3890  148.837   10.533  159.775   16.216  140.856   13.853  241.700   12.416  227.179   11.285 14.52077 16.77802 
1 1 1  -31    6   27 o  103.040   10.105   29.227   5.6035   26.012   7.8567   32.556   7.9943   97.179   14.962  108.901   13.585 -11.72146 20.20905 
1 1 1  -31    6   28 o  126.442   8.4849   44.417   5.7094   37.863   8.3814   50.091   7.7986  117.434   13.208  135.450   10.655 -18.01562 16.96989 
1 1 1  -31    6   29 o  168.151   6.6462   76.549   6.0179   83.220   8.9780   71.107   8.1093  174.743   9.5081  161.558   9.2890 13.18456 13.29240 
1 1 1  -31    6   30 o  177.454   6.4978   85.464   6.1994   89.065   9.3202   82.607   8.3023  180.734   9.5433  174.174   8.8212 6.559631 12.99570 
1 1 1  -31    6   31 o  189.472   6.3894   97.794   6.5271   98.562   9.5721   97.127   8.9233  190.115   9.3176  188.829   8.7452 1.285721 12.77873 
1 1 1  -31    6   32 o   88.130   11.563   21.589   5.3328   28.571   8.0987   16.245   7.0857  101.536   14.761   74.724   17.802 26.81155 23.12551 
1 1 1  -31    6   33 o  177.031   6.4249   85.131   6.1290   92.116   9.0868   79.301   8.3017  183.642   9.1570  170.419   9.0149 13.22318 12.84984 
1 1 1  -31    6   34 o   81.576   12.105   19.422   5.1649   17.443   7.4138   21.288   7.1994   77.170   18.093   85.981   16.087 -8.810555 24.21048 
1 1 1  -31    6   35 o  228.366   5.9769  142.387   7.3677  141.756   10.655  142.966   10.199  227.824   8.6547  228.908   8.2455 -1.083206 11.95374 
1 1 1  -31    6   36 o  117.870   8.6782   38.523   5.5105   36.322   7.9472   40.560   7.6474  114.490   12.846  121.250   11.672 -6.759727 17.35649 
1 1 1  -31    6   37 o   48.574   12.339   1.2397   5.1037   12.788   7.5642  -8.4112   6.9148   65.974   19.707   31.174   14.854 34.80038 24.67834 
1 1 1  -31    6   38 o   72.271   13.502   15.458   5.3562   17.814   7.9121   13.465   7.2774   77.194   19.078   67.348   19.111 9.845581 27.00325 
1 1 1  -31    6   39 o   70.688   13.021   14.302   5.4426   6.4635   7.4395   23.329   7.9832   52.275   19.552   89.101   17.204 -36.82596 26.04296 
1 1 1  -31    6   40 f  132.644   8.2999   49.072   5.9106   55.802   8.4129   42.513   8.3059  141.890   10.972  123.399   12.456 18.49150 16.59982 
1 1 1  -31    6   41 o   43.607   13.164   0.3155   5.5830   3.6438   8.0367  -2.7887   7.7615   48.238   19.631   38.975   17.543 9.263752 26.32759 
1 1 1  -31    6   42 o  103.864   10.301   30.729   5.7512   28.808   8.3835   32.437   7.9045  100.481   15.440  107.248   13.639 -6.767563 20.60192 
1 1 1  -31    6   43 o   57.872   13.752   9.4070   5.2648   5.6813   7.5354   12.960   7.3589   50.392   19.478   65.353   19.419 -14.96077 27.50427 
1 1 1  -31    6   44 o   43.456   13.005   1.5980   5.2677   1.5420   7.6485   1.6485   7.2655   43.823   18.591   43.090   18.191 0.7328987 26.01084 
1 1 1  -31    6   45 f  185.293   6.7996   95.674   6.7773   86.965   9.6988  103.984   9.4741  176.735   10.156  193.851   9.0445 -17.11610 13.59927 
1 1 1  -31    6   46 o  128.661   8.6866   46.754   6.0346   44.871   8.5524   48.621   8.5163  125.952   12.566  131.370   11.997 -5.418137 17.37318 
1 1 1  -31    6   47 o   86.673   12.963   23.425   6.0512   14.772   8.5987   31.914   8.5172   68.395   21.132  104.951   15.018 -36.55505 25.92523 
1 1 1  -31    6   48 o   39.770   12.526  -3.4395   5.7537   3.3122   8.2076  -9.9638   8.0682   46.903   19.536   32.638   15.684 14.26461 25.05258 
1 1 1  -31    6   49 o   39.785   12.768  -3.0022   6.0308  -6.1565   8.8541  -0.2722   8.2370   37.547   17.556   42.023   18.544 -4.475670 25.53620 
1 1 1  -31    6   50 o   45.135   13.733   2.1522   6.0634   1.1441   8.8398   3.0480   8.3326   44.388   19.410   45.881   19.432 -1.492550 27.46499 
1 1 1  -31    6   51 o   41.016   19.954 -17.5743   14.106   0.0000   0.0000 -17.5743   14.106  ?   ?    41.016   19.954      ?      ? 
1 1 1  -31    6   53 o   32.893   16.532 -30.0225   13.089   0.0000   0.0000 -30.0225   13.089  ?   ?    32.893   16.532      ?      ? 
1 1 1  -31    6   54 o   56.194   15.507   10.123   6.8089   9.2548   9.5360   11.025   9.7253   54.779   21.692   57.609   22.167 -2.830498 31.01501 
1 1 1  -31    6   55 o   80.803   15.066   24.354   6.9765   16.985   10.208   30.812   9.5564   66.606   23.160   94.999   19.275 -28.39304 30.13176 
1 1 1  -31    7    1 o  187.542   6.0178   95.222   6.0733   96.269   9.0311   94.358   8.2060  188.458   8.8682  186.626   8.1371 1.832230 12.03567 
1 1 1  -31    7    2 o  102.373   9.1796   28.339   5.0613   30.674   7.5411   26.424   6.8274  106.180   13.143   98.566   12.819 7.613235 18.35924 
1 1 1  -31    7    3 o  388.908   5.9568  409.727   12.513  392.664   17.555  427.349   17.840  380.665   8.5342  397.151   8.3128 -16.48660 11.91365 
1 1 1  -31    7    4 o  358.789   5.8065  349.003   11.246  342.359   16.183  355.207   15.639  355.459   8.4254  362.119   7.9921 -6.660309 11.61298 
1 1 1  -31    7    5 o  210.079   5.8344  118.369   6.5818  130.311   10.015  109.291   8.7322  219.297   8.4517  200.860   8.0453 18.43698 11.66871 
1 1 1  -31    7    6 o   95.515   9.9219   24.560   5.0912   28.154   7.6833   21.746   6.7979  101.676   13.984   89.354   14.079 12.32229 19.84376 
1 1 1  -31    7    7 o  253.368   7.5980  173.857   10.403   0.0000   0.0000  173.857   10.403  ?   ?   253.368   7.5980      ?      ? 
1 1 1  -31    7    8 o  123.998   8.0835   41.610   5.4059   45.042   7.9198   38.617   7.3971  128.770   11.382  119.227   11.481 9.542923 16.16691 
1 1 1  -31    7    9 o  120.279   9.6771   38.922   6.2143   36.536   8.0860   42.365   9.7125  115.881   12.913  124.676   14.416 -8.795296 19.35415 
1 1 1  -31    7   10 o   87.462   13.190   22.018   6.0679   24.934   7.9399   17.923   9.4086   95.583   15.373   79.342   21.437 16.24110 26.37934 
1 1 1  -31    7   11 o  228.530   6.6227  138.552   7.7785  151.531   13.499  132.101   9.5172  236.248   10.574  220.812   7.9763 15.43556 13.24535 
1 1 1  -31    7   12 o  149.462   7.4483   60.499   5.9276   61.554   9.2399   59.760   7.7272  150.507   11.361  148.417   9.6350 2.090332 14.89657 
1 1 1  -31    7   13 o  117.662   8.9990   38.154   5.6354   34.315   8.4714   41.201   7.5476  112.198   13.973  123.127   11.344 -10.92889 17.99800 
1 1 1  -31    7   14 o  299.244   5.6074  242.546   9.0383  244.017   13.345  241.300   12.285  300.048   8.2307  298.441   7.6177 1.606659 11.21490 
1 1 1  -31    7   15 f  247.775   5.6918  166.355   7.5906  166.861   11.253  165.932   10.282  248.086   8.3942  247.463   7.6892 0.6230927 11.38361 
1 1 1  -31    7   16 o  152.368   7.2576   62.236   5.9350   70.872   9.0464   55.709   7.8641  161.519   10.365  143.217   10.162 18.30214 14.51518 
1 1 1  -31    7   17 f  277.034   5.7508  206.939   8.5525  217.828   12.984  198.595   11.367  283.392   8.4790  270.676   7.7713 12.71603 11.50154 
1 1 1  -31    7   18 o  175.732   6.8772   83.215   6.4615   88.395   10.006   79.509   8.4626  180.331   10.268  171.134   9.1513 9.197098 13.75433 
1 1 1  -31    7   19 o  611.193   9.7433  1030.74   30.982  1058.90   39.188  983.784   50.598  623.448   11.632  598.938   15.634 24.51001 19.48656 
1 1 1  -31    7   20 o  324.559   8.1874  282.658   14.195  315.540   22.197  259.910   18.463  340.163   12.076  308.954   11.059 31.20871 16.37481 
1 1 1  -31    7   21 o  216.045   11.422  127.162   13.334   0.0000   0.0000  127.162   13.334  ?   ?   216.045   11.422      ?      ? 
1 1 1  -31    7   22 o  353.922   8.5023  341.078   16.235  332.658   22.246  350.676   23.749  349.320   11.785  358.525   12.258 -9.204498 17.00463 
1 1 1  -31    7   23 o  468.411   8.1744  601.173   19.773  608.595   24.669  587.838   33.069  473.113   9.6495  463.708   13.197 9.405579 16.34888 
1 1 1  -31    7   24 o  173.021   8.8488   72.665   7.3735  102.950   15.090   63.165   8.4511  193.730   14.414  152.312   10.268 41.41821 17.69761 
1 1 1  -31    7   25 o  218.521   8.8316  130.417   10.362  132.432   15.607  128.829   13.857  219.886   13.135  217.157   11.809 2.729324 17.66318 
1 1 1  -31    7   26 o  155.863   10.989   65.503   9.1399   77.185   14.371   57.568   11.844  167.193   15.907  144.533   15.165 22.66005 21.97733 
1 1 1  -31    7   27 o  352.635   5.8954  337.354   11.205  348.511   16.554  327.920   15.222  357.944   8.5584  347.327   8.1105 10.61621 11.79090 
1 1 1  -31    7   28 f  160.248   7.0579   69.440   6.0850   77.526   9.1172   62.944   8.1713  168.584   10.008  151.912   9.9543 16.67184 14.11574 
1 1 1  -31    7   29 o  187.229   6.3906   95.172   6.4548  101.716   9.4530   89.454   8.8352  193.237   9.0529  181.220   9.0224 12.01686 12.78120 
1 1 1  -31    7   30 o  107.106   9.4278   30.773   5.3732   39.477   8.3216   24.549   7.0367  119.836   12.851   94.375   13.798 25.46040 18.85558 
1 1 1  -31    7   31 o  281.515   5.7253  215.334   8.6795  220.516   12.882  211.026   11.746  284.536   8.3783  278.494   7.8051 6.042114 11.45056 
1 1 1  -31    7   32 o  157.714   7.0587   68.063   5.9709   68.076   9.0071   68.053   7.9751  157.605   10.576  157.823   9.3514 -0.2172852 14.11745 
1 1 1  -31    7   33 o   84.645   12.129   21.262   5.3868   15.257   8.0138   26.212   7.2757   72.055   19.917   97.234   13.847 -25.17837 24.25780 
1 1 1  -31    7   34 o   63.569   13.684   11.288   5.3011   15.752   7.6489   7.1624   7.3535   73.130   19.135   54.008   19.568 19.12182 27.36874 
1 1 1  -31    7   35 o  107.215   9.5829   31.723   5.5121   37.453   8.1169   26.819   7.5092  116.279   12.918   98.152   14.158 18.12626 19.16584 
1 1 1  -31    7   36 o  133.004   8.0091   48.780   5.7528   49.878   8.3104   47.769   7.9715  134.412   11.442  131.596   11.210 2.815964 16.01825 
1 1 1  -31    7   37 o  159.175   7.2314   70.108   6.1609   66.931   9.2477   72.643   8.2613  155.685   10.993  162.666   9.3986 -6.980606 14.46274 
1 1 1  -31    7   38 o  133.717   7.9502   49.001   5.7139   56.484   8.5309   42.912   7.6949  142.944   11.044  124.491   11.439 18.45309 15.90045 
1 1 1  -31    7   39 o   62.582   13.551   10.405   5.3130   17.767   8.1156   4.8831   7.0284   76.691   19.531   48.473   18.791 28.21756 27.10229 
1 1 1  -31    7   40 o  158.047   7.2612   68.934   6.1951   72.395   9.0022   65.819   8.5387  161.799   10.296  154.295   10.241 7.504547 14.52232 
1 1 1  -31    7   41 o  133.326   8.5538   49.598   6.1602   51.484   8.8354   47.813   8.5932  135.812   12.039  130.840   12.154 4.971207 17.10761 
1 1 1  -31    7   42 o   38.278   12.233  -3.4717   5.4345  -0.5694   7.9574  -6.0088   7.4399   41.955   18.379   34.601   16.150 7.353806 24.46657 
1 1 1  -31    7   43 o   49.151   13.694   4.7740   5.4535   2.0050   7.9919   7.1867   7.4602   45.324   19.104   52.977   19.625 -7.652378 27.38790 
1 1 1  -31    7   44 o  150.115   7.8764   62.634   6.3474   66.602   9.6458   59.603   8.4296  154.070   11.586  146.161   10.673 7.908905 15.75279 
1 1 1  -31    7   45 f   76.977   13.763   18.396   5.7062   19.029   8.5119   17.879   7.6901   77.918   20.088   76.036   18.818 1.882324 27.52553 
1 1 1  -31    7   46 o   43.654   13.201   0.3765   5.6903   4.6071   8.1795  -3.5914   7.9214   49.263   19.892   38.046   17.361 11.21684 26.40207 
1 1 1  -31    7   47 o   92.118   13.017   26.086   6.2450   29.414   9.1688   23.207   8.5294   97.957   17.984   86.279   18.824 11.67838 26.03440 
1 1 1  -31    7   48 o   60.678   15.134   11.116   6.1839   12.016   8.8179   10.246   8.6745   62.387   21.535   58.969   21.270 3.417488 30.26835 
1 1 1  -31    7   49 o   38.441   12.631  -5.0783   6.3210  -5.9863   8.8152  -4.1174   9.0687   37.321   17.472   39.561   18.245 -2.240459 25.26143 
1 1 1  -31    7   50 o   47.155   14.588   0.4493   7.4802   6.2830   9.5040  -9.0473   12.126   52.317   21.326   41.994   19.912 10.32310 29.17682 
1 1 1  -31    7   53 o  108.803   15.690   41.067   8.6562   34.586   10.779   52.838   14.526   98.634   20.875  118.973   23.428 -20.33919 31.37941 
1 1 1  -31    7   54 o   74.810   16.098   20.519   7.0915   19.846   9.9402   21.217   10.120   73.589   22.718   76.031   22.813 -2.442284 32.19578 
1 1 1  -31    7   55 o   79.906   15.149   24.150   6.9498   17.220   9.8596   30.993   9.7978   66.221   22.776   93.590   19.982 -27.36825 30.29896 
1 1 1  -31    8    1 o   58.967   12.887   8.5052   4.8520   14.839   7.2101   3.2627   6.5595   72.204   18.420   45.729   18.028 26.47548 25.77428 
1 1 1  -31    8    2 o  243.081   5.5440  159.485   7.2472  165.843   10.877  154.410   9.7187  247.396   8.1364  238.765   7.5327 8.631149 11.08797 
1 1 1  -31    8    3 o  160.717   6.6549   69.268   5.7230   75.532   8.8641   64.791   7.4944  166.849   9.8315  154.586   8.9718 12.26308 13.30984 
1 1 1  -31    8    4 o   61.331   13.288   9.6017   5.0520   15.173   7.5043   4.9840   6.8321   73.017   18.880   49.646   18.703 23.37104 26.57561 
1 1 1  -31    8    5 o   78.371   12.215   17.712   5.1286   12.936   7.7155   21.493   6.8647   67.946   19.801   88.796   14.307 -20.85043 24.42905 
1 1 1  -31    8    6 o   69.449   13.335   13.525   5.1136   15.191   7.6962   12.209   6.8422   73.080   19.229   65.817   18.480 7.263206 26.66935 
1 1 1  -31    8    7 f  169.295   6.5289   76.948   5.9424   86.501   8.9526   69.424   7.9449  178.591   9.2769  159.999   9.1894 18.59172 13.05776 
1 1 1  -31    8    8 o  141.643   8.2160   53.927   6.2361   50.131   8.2040   59.122   9.5973  135.837   11.177  147.449   12.045 -11.61252 16.43196 
1 1 1  -31    8    9 o  134.090   13.229   48.964   9.5854   0.0000   0.0000   48.964   9.5854  ?   ?   134.090   13.229      ?      ? 
1 1 1  -31    8   10 o  312.442   6.7128  261.199   10.616  275.225   18.849  254.682   12.848  318.286   10.959  306.599   7.7550 11.68753 13.42566 
1 1 1  -31    8   11 o  149.394   8.2681   58.116   6.3500   68.986   11.175   52.932   7.7169  159.162   12.994  139.626   10.228 19.53586 16.53619 
1 1 1  -31    8   12 o  265.619   5.6999  191.597   8.1430  187.026   12.033  195.459   11.061  262.646   8.4781  268.592   7.6208 -5.945374 11.39975 
1 1 1  -31    8   13 o  120.702   8.4483   39.499   5.4877   41.159   8.2035   38.155   7.3828  122.961   12.347  118.444   11.535 4.516449 16.89664 
1 1 1  -31    8   14 o   92.703   11.470   24.356   5.4988   21.340   8.3460   26.669   7.3095   86.532   18.414   98.875   13.681 -12.34286 22.94037 
1 1 1  -31    8   15 o  274.257   5.7231  203.789   8.4555  205.921   12.486  201.983   11.492  275.545   8.3858  272.969   7.7907 2.575958 11.44627 
1 1 1  -31    8   16 o  174.140   6.8594   81.839   6.3775   85.749   9.9060   79.070   8.3344  177.608   10.322  170.672   9.0370 6.936020 13.71871 
1 1 1  -31    8   17 o  379.369   6.0480  389.503   12.351  402.449   18.406  378.898   16.658  385.029   8.8466  373.709   8.2492 11.31961 12.09591 
1 1 1  -31    8   18 o   93.376   13.603   26.491   6.6915   35.473   8.8847   14.718   10.172  113.833   14.444   72.919   23.055 40.91374 27.20584 
1 1 1  -31    8   19 f  188.872   8.8618   98.434   8.9414   86.013   13.068  109.369   12.261  177.370   13.634  200.373   11.324 -23.00333 17.72358 
1 1 1  -31    8   20 o   86.502   14.916   20.659   7.2922   33.401   10.944   10.484   9.7795  108.355   19.404   64.648   22.658 43.70726 29.83109 
1 1 1  -31    8   21 o  468.073   9.3035  595.328   23.531   0.0000   0.0000  595.328   23.531  ?   ?   468.073   9.3035      ?      ? 
1 1 1  -31    8   22 o  299.310   7.4406  238.567   10.686  255.631   20.884  232.516   12.437  305.894   12.635  292.727   7.8625 13.16757 14.88121 
1 1 1  -31    8   23 o  110.186   12.107   32.086   7.0319   27.224   8.8337   40.495   11.618   99.373   16.451  120.999   17.769 -21.62539 24.21477 
1 1 1  -31    8   24 o  275.146   8.5620  206.720   12.583  208.761   19.355  205.225   16.560  276.081   12.974  274.212   11.176 1.868835 17.12399 
1 1 1  -31    8   25 o   64.772   16.798   6.2795   8.2563   18.793   12.964  -2.2590   10.709   81.379   26.059   48.165   21.204 33.21364 33.59629 
1 1 1  -31    8   26 o  279.646   7.0115  216.588   10.354  232.259   13.596  194.955   15.975  292.189   8.6111  267.102   11.068 25.08694 14.02310 
1 1 1  -31    8   27 o   75.897   12.986   15.799   5.3832   24.204   8.3745   9.8808   7.0273   91.889   17.505   59.904   19.187 31.98505 25.97215 
1 1 1  -31    8   28 o   77.977   12.332   16.024   5.6125   30.359   8.6094   5.4295   7.4015  104.793   15.204   51.162   19.421 53.63041 24.66446 
1 1 1  -31    8   29 o  217.269   6.0471  128.426   7.0768  129.779   10.459  127.283   9.6113  218.261   8.8677  216.276   8.2240 1.984238 12.09426 
1 1 1  -31    8   30 o  121.085   8.9764   41.062   5.7555   35.593   8.6668   45.376   7.6981  113.480   14.134  128.690   11.070 -15.21025 17.95283 
1 1 1  -31    8   31 o  141.169   8.0073   55.145   6.0523   50.708   8.9502   58.885   8.2155  135.712   12.205  146.626   10.369 -10.91446 16.01465 
1 1 1  -31    8   32 o  108.323   9.7537   32.384   5.6669   33.638   8.6171   31.428   7.5224  110.021   14.494  106.626   13.056 3.395317 19.50738 
1 1 1  -31    8   33 o   72.818   13.531   15.726   5.4859   11.963   7.9426   19.160   7.5861   64.683   20.364   80.952   17.824 -16.26918 27.06266 
1 1 1  -31    8   34 o  135.828   8.0235   50.489   5.8704   55.836   8.6973   46.015   7.9560  142.402   11.303  129.254   11.391 13.14807 16.04702 
1 1 1  -31    8   35 f  148.942   7.4981   60.741   6.0140   64.535   8.9679   57.640   8.1071  153.088   10.841  144.796   10.361 8.291458 14.99617 
1 1 1  -31    8   36 f   80.856   12.194   19.320   5.2570   15.075   7.6888   23.047   7.2040   71.103   19.450   90.610   14.713 -19.50629 24.38795 
1 1 1  -31    8   37 o   49.195   13.645   4.5806   5.2662   5.8870   7.9314   3.5507   7.0426   52.106   20.026   46.284   18.539 5.821217 27.28991 
1 1 1  -31    8   38 o   75.399   18.260   16.988   7.3604   0.0000   0.0000   16.988   7.3604  ?   ?    75.399   18.260      ?      ? 
1 1 1  -31    8   39 o  164.080   7.1413   74.270   6.3187   75.875   9.2775   72.881   8.6296  165.636   10.365  162.525   9.8261 3.110840 14.28268 
1 1 1  -31    8   40 o   89.132   12.383   23.405   5.7385   26.906   8.5080   20.483   7.7728   95.507   17.114   82.756   17.902 12.75089 24.76646 
1 1 1  -31    8   41 o   37.378   11.995  -3.4869   5.2995  -5.9907   7.8868  -1.4258   7.1557   35.937   16.725   38.819   17.199 -2.882671 23.99025 
1 1 1  -31    8   42 o   98.446   11.408   28.604   5.8462   24.713   8.5032   32.091   8.0510   90.601   18.003  106.290   14.017 -15.68927 22.81641 
1 1 1  -31    8   43 o   64.202   14.280   12.579   5.5492   11.239   8.1313   13.746   7.5918   61.539   20.690   66.865   19.687 -5.326370 28.55952 
1 1 1  -31    8   44 o   47.059   13.783   3.1912   5.7510   1.6096   8.6139   4.4632   7.7248   45.855   19.599   48.262   19.386 -2.407398 27.56700 
1 1 1  -31    8   45 o   60.973   14.593   10.483   5.9039   15.478   8.7058   6.2284   8.0335   70.202   21.181   51.745   20.081 18.45686 29.18676 
1 1 1  -31    8   46 o   43.906   13.552   0.3195   6.0715  -0.8663   9.0149   1.3039   8.2138   43.471   19.280   44.341   19.050 -0.8698120 27.10391 
1 1 1  -31    8   47 o  138.602   9.0396   54.937   6.7626   53.147   9.6761   56.646   9.4552  136.174   13.150  141.029   12.407 -4.854904 18.07916 
1 1 1  -31    8   48 f   64.370   14.464   11.404   6.2016   21.903   9.5178   3.6586   8.1753   81.681   21.332   47.059   19.541 34.62180 28.92897 
1 1 1  -31    8   49 o  104.150   12.060   33.555   6.5718   31.962   9.7570   34.878   8.8912  100.176   18.713  108.124   15.218 -7.947884 24.11937 
1 1 1  -31    8   50 o   37.662   13.193 -26.5067   10.029 -18.6171   14.300 -34.1441   14.070   40.874   19.930   34.450   17.291 6.424362 26.38539 
1 1 1  -31    8   52 o   45.055   21.352  -5.9572   13.908   0.0000   0.0000  -5.9572   13.908  ?   ?    45.055   21.352      ?      ? 
1 1 1  -31    8   53 o   50.620   14.484   4.4291   6.8434   13.892   9.7216  -4.8661   9.6350   62.334   22.512   38.906   18.231 23.42756 28.96812 
1 1 1  -31    8   54 o   44.932   14.160   1.0005   7.0818  -3.2566   9.9351   5.3977   10.097   40.448   18.807   49.416   21.173 -8.967579 28.31947 
1 1 1  -31    9    1 o  160.769   6.6720   70.846   5.7109   65.333   8.6558   75.095   7.5998  155.106   10.327  166.431   8.4504 -11.32465 13.34404 
1 1 1  -31    9    2 o  164.755   6.6619   74.374   5.8668   67.202   8.6877   80.386   7.9546  157.320   10.219  172.190   8.5491 -14.86935 13.32386 
1 1 1  -31    9    3 o  427.773   6.3639  496.479   14.704  480.412   20.824  512.456   20.765  420.839   9.1571  434.706   8.8398 -13.86737 12.72774 
1 1 1  -31    9    4 o  238.044   5.8297  154.070   7.4737  145.654   10.824  161.740   10.332  231.774   8.6422  244.315   7.8263 -12.54091 11.65932 
1 1 1  -31    9    5 f  276.229   5.7011  207.094   8.4859  202.338   12.392  211.295   11.645  273.202   8.3938  279.256   7.7170 -6.053406 11.40210 
1 1 1  -31    9    6 o  178.378   6.5565   86.397   6.2881   85.551   9.3480   87.096   8.4981  177.542   9.7439  179.214   8.7753 -1.672348 13.11292 
1 1 1  -31    9    7 o  253.842   6.6299  174.197   8.9225  171.614   11.512  178.086   14.121  251.592   8.4674  256.092   10.204 -4.500534 13.25988 
1 1 1  -31    9    8 o  135.440   8.7500   49.763   6.3603   48.537   8.4675   51.351   9.6346  133.583   11.731  137.298   12.986 -3.715179 17.49997 
1 1 1  -31    9    9 o  475.533   8.0849  618.364   19.689  604.054   33.518  625.903   24.328  470.805   13.175  480.260   9.3744 -9.455780 16.16976 
1 1 1  -31    9   10 o  107.636   10.749   31.334   5.9413   32.748   10.222   30.613   7.3012  109.264   17.313  106.007   12.746 3.256981 21.49873 
1 1 1  -31    9   11 o  105.989   9.8786   30.569   5.5925   31.269   8.6284   30.062   7.3440  106.956   14.929  105.022   12.941 1.934021 19.75720 
1 1 1  -31    9   12 o  220.793   5.9884  130.837   7.0738  141.760   10.955  123.027   9.2637  228.572   8.8698  213.014   8.0480 15.55727 11.97684 
1 1 1  -31    9   13 o   75.846   12.727   16.902   5.4519   8.9807   8.2475   23.049   7.2657   59.885   20.818   91.807   14.646 -31.92128 25.45358 
1 1 1  -31    9   14 o  238.584   5.9175  155.147   7.5467  149.227   11.426  159.728   10.051  234.449   9.0188  242.719   7.6635 -8.271057 11.83506 
1 1 1  -31    9   15 o  112.676   9.4903   34.927   5.7214   32.644   8.5430   36.784   7.7044  109.212   14.476  116.141   12.276 -6.928200 18.98059 
1 1 1  -31    9   16 o  223.775   6.1849  136.441   7.4425  130.049   10.921  141.985   10.170  218.800   9.2368  228.749   8.2275 -9.948242 12.36973 
1 1 1  -31    9   17 o  165.083   9.6010   73.751   8.5212   83.176   12.827   66.306   11.400  174.423   13.609  155.742   13.546 18.68074 19.20198 
1 1 1  -31    9   18 o  194.431   8.4142  103.286   8.8082  100.135   12.902  106.036   12.055  191.563   12.464  197.299   11.307 -5.735916 16.82835 
1 1 1  -31    9   19 o  226.946   8.1017  140.955   9.8709  134.234   14.610  146.599   13.389  221.820   12.188  232.072   10.677 -10.25146 16.20347 
1 1 1  -31    9   20 o  168.599   7.0002   76.211   6.3167   85.270   9.7921   69.754   8.2667  177.018   10.237  160.179   9.5508 16.83992 14.00041 
1 1 1  -31    9   21 o  273.220   5.8165  203.166   8.5537  196.568   12.546  208.898   11.693  268.997   8.6311  277.443   7.7993 -8.446259 11.63291 
1 1 1  -31    9   22 o  189.743   8.8416  100.057   7.7967   95.293   15.520  101.665   9.0170  186.070   15.436  193.416   8.6275 -7.345322 17.68319 
1 1 1  -31    9   23 o   35.589   12.380 -14.8571   6.2894 -15.9392   13.281 -14.5443   7.1409   43.385   20.649   27.793   13.662 15.59173 24.75948 
1 1 1  -31    9   24 o  159.169   11.552   69.070   9.6368   74.302   15.907   66.036   12.113  163.459   18.009  154.880   14.473 8.578354 23.10376 
1 1 1  -31    9   25 o  137.082   13.567   54.807   9.3215   46.486   14.899   60.158   11.949  126.500   22.627  147.665   14.975 -21.16489 27.13374 
1 1 1  -31    9   26 o  182.773   6.6569   89.629   6.5205  102.799   10.031   79.991   8.5807  194.197   9.5591  171.350   9.2672 22.84741 13.31387 
1 1 1  -31    9   27 o   64.476   12.892   12.299   5.3056   2.4372   8.5632   18.443   6.7593   48.735   20.097   80.217   16.152 -31.48159 25.78360 
1 1 1  -31    9   28 o  149.408   7.4099   60.428   5.9029   64.570   9.2461   57.579   7.6693  153.574   11.142  145.242   9.7719 8.332062 14.81987 
1 1 1  -31    9   29 o  205.595   6.3042  115.619   6.9476  112.266   10.423  118.300   9.3198  202.774   9.5128  208.417   8.2753 -5.643616 12.60846 
1 1 1  -31    9   30 o  258.645   5.9154  182.393   8.2277  182.156   12.245  182.587   11.109  258.378   8.7704  258.912   7.9404 -0.5340271 11.83087 
1 1 1  -31    9   31 o  202.414   6.2717  111.451   6.8197  115.752   10.292  108.085   9.1057  205.786   9.2554  199.042   8.4661 6.744385 12.54336 
1 1 1  -31    9   32 o  164.140   7.1546   73.621   6.3300   76.989   9.3575   70.779   8.5949  167.539   10.336  160.741   9.8952 6.798523 14.30911 
1 1 1  -31    9   33 o   43.296   12.951   0.2944   5.4030  -3.8478   7.9639   3.8267   7.3543   38.836   17.599   47.757   19.006 -8.920895 25.90237 
1 1 1  -31    9   34 o  148.730   7.4817   60.267   5.9692   65.619   9.1315   56.274   7.8878  154.346   10.949  143.115   10.200 11.23145 14.96342 
1 1 1  -31    9   35 o  101.877   10.622   28.947   5.8095   33.954   8.6016   24.746   7.8779  110.060   14.463   93.693   15.560 16.36691 21.24374 
1 1 1  -31    9   36 o  112.817   9.5115   34.985   5.7521   40.900   8.8023   30.577   7.5992  121.004   13.462  104.630   13.441 16.37355 19.02307 
1 1 1  -31    9   37 o   78.689   12.493   17.169   5.5842   29.708   8.5629   7.8905   7.3660  102.451   15.467   54.927   19.624 47.52359 24.98644 
1 1 1  -31    9   38 o  116.922   9.0870   37.983   5.6978   40.514   8.7066   36.088   7.5356  120.121   13.413  113.723   12.263 6.398422 18.17392 
1 1 1  -31    9   39 o   35.235   16.247  -4.7289   7.1879   0.0000   0.0000  -4.7289   7.1879  ?   ?    35.235   16.247      ?      ? 
1 1 1  -31    9   40 o   47.456   13.621   2.2761   5.5938   7.7817   8.5963  -1.7674   7.3670   55.911   20.996   39.001   17.357 16.91044 27.24142 
1 1 1  -31    9   41 f  161.031   7.3595   71.863   6.3797   73.705   9.4904   70.343   8.6171  162.747   10.792  159.316   10.010 3.430801 14.71900 
1 1 1  -31    9   42 o  121.819   9.8339   43.076   6.3123   34.007   9.1863   51.189   8.6883  108.597   15.654  135.042   11.906 -26.44479 19.66772 
1 1 1  -31    9   43 o  179.318   7.3553   91.603   6.9374   78.467   10.598  101.452   9.1769  167.062   11.740  191.574   8.8648 -24.51178 14.71064 
1 1 1  -31    9   44 o   65.456   14.864   13.107   5.9551   14.667   8.7867   11.782   8.0989   68.499   21.395   62.412   20.641 6.086262 29.72839 
1 1 1  -31    9   45 o  152.092   8.4292   66.140   6.8174   54.971   9.8632   76.358   9.4335  138.935   13.138  165.249   10.564 -26.31444 16.85847 
1 1 1  -31    9   46 o   85.212   14.180   23.073   6.4957   28.744   9.3516   17.786   9.0294   96.305   18.644   74.119   21.370 22.18668 28.35947 
1 1 1  -31    9   47 o   92.560   12.921   25.912   6.3214   31.807   9.5296   21.280   8.4475  103.164   17.095   81.955   19.380 21.20935 25.84180 
1 1 1  -31    9   48 o   50.184   14.205   4.5389   6.4399  -3.9462   9.8092   10.967   8.5375   41.209   18.994   59.159   21.127 -17.94981 28.41034 
1 1 1  -31    9   49 o   49.407   15.359   1.3387   7.8291  -1.2036   10.252   4.8964   12.127   44.755   20.152   54.059   23.184 -9.303982 30.71825 
1 1 1  -31    9   50 o  156.955   21.034   78.536   17.839   0.0000   0.0000   78.536   17.839  ?   ?   156.955   21.034      ?      ? 
1 1 1  -31    9   52 o   49.174   15.071   2.2783   8.4205   12.178   10.683 -13.9640   13.684   58.466   23.020   39.882   19.457 18.58448 30.14189 
1 1 1  -31    9   53 o   57.554   15.582   10.777   6.8709   7.9382   9.8138   13.507   9.6229   53.198   21.676   61.910   22.392 -8.712463 31.16476 
1 1 1  -31    9   54 o   70.882   16.265   19.844   7.0989   21.520   10.589   18.477   9.5673   72.982   23.571   68.782   22.419 4.199905 32.53002 
1 1 1  -31   10    1 o  230.897   5.9052  145.509   7.3161  134.527   10.739  155.021   9.9940  222.652   8.9258  239.141   7.7339 -16.48907 11.81032 
1 1 1  -31   10    2 o  369.095   6.0093  369.608   11.944  368.432   17.623  370.607   16.244  368.491   8.8503  369.699   8.1312 -1.208221 12.01850 
1 1 1  -31   10    3 o  126.373   8.3598   43.985   5.6051   40.417   8.5839   46.638   7.4007  121.749   13.048  130.998   10.455 -9.249069 16.71961 
1 1 1  -31   10    4 o  176.342   6.5295   83.973   6.1962   88.972   9.2839   79.958   8.3206  181.028   9.4906  171.657   8.9702 9.371124 13.05900 
1 1 1  -31   10    5 o  185.456   6.4465   93.429   6.3873   92.772   9.7771   93.918   8.4365  184.823   9.7897  186.088   8.3899 -1.265579 12.89295 
1 1 1  -31   10    6 o  115.449   9.2957   35.303   5.7128   44.606   8.9635   28.938   7.4137  127.903   12.969  102.994   13.321 24.90917 18.59146 
1 1 1  -31   10    7 o  343.706   6.8930  322.972   12.605  334.081   16.609  307.883   19.358  350.895   8.7596  336.517   10.645 14.37802 13.78595 
1 1 1  -31   10    8 o   50.143   13.676   3.5982   5.3208   8.1927   8.2936   0.3844   6.9364   58.424   20.828   41.862   17.729 16.56266 27.35181 
1 1 1  -31   10    9 o  399.182   7.4005  432.043   14.970  436.712   26.254  429.793   18.223  400.345   12.136  398.020   8.4728 2.324890 14.80101 
1 1 1  -31   10   10 o  432.604   6.4720  508.446   15.097  503.430   22.019  512.896   20.741  430.515   9.4649  434.693   8.8298 -4.177673 12.94407 
1 1 1  -31   10   11 o  187.869   6.6074   95.037   6.6435  101.671   10.255   90.240   8.7210  193.418   9.8119  182.320   8.8520 11.09793 13.21483 
1 1 1  -31   10   12 o   93.536   11.051   23.952   5.4269   28.387   8.2768   20.608   7.1875  101.783   15.049   85.289   16.187 16.49400 22.10200 
1 1 1  -31   10   13 o  174.069   6.8392   81.769   6.3366   85.653   9.9516   79.120   8.2179  177.443   10.379  170.695   8.9095 6.748169 13.67844 
1 1 1  -31   10   14 o  235.823   6.1222  148.823   7.7021  164.122   12.095  138.388   9.9893  245.811   9.1060  225.834   8.1857 19.97742 12.24439 
1 1 1  -31   10   15 o  419.581   8.7918  479.804   19.901  489.640   29.108  471.171   27.269  423.518   12.719  415.643   12.141 7.874817 17.58368 
1 1 1  -31   10   16 o  185.196   8.7454   93.178   8.6704   96.464   13.291   90.743   11.440  187.918   13.089  182.474   11.602 5.443497 17.49076 
1 1 1  -31   10   17 o   44.299   13.866  -3.2361   6.6895  -8.0518   10.149   0.4637   8.8955   41.448   19.180   47.150   20.029 -5.702744 27.73112 
1 1 1  -31   10   18 o  101.493   11.921   26.587   6.2092   34.234   11.080   23.087   7.4969  111.269   18.428   91.718   15.127 19.55097 23.84155 
1 1 1  -31   10   19 o  372.206   8.3049  376.194   16.703   0.0000   0.0000  376.194   16.703  ?   ?   372.206   8.3049      ?      ? 
1 1 1  -31   10   20 o   51.831   14.241   4.9377   5.6995   3.3180   8.9122   6.0585   7.4138   51.070   20.714   52.591   19.548 -1.521038 28.48105 
1 1 1  -31   10   21 o   52.739   12.873   4.7099   5.4774  -6.7630   8.3978   13.204   7.2260   37.587   17.412   67.892   18.966 -30.30465 25.74659 
1 1 1  -31   10   22 o  153.927   7.8137   66.060   6.3329   57.396   9.7251   72.439   8.3446  144.762   12.432  163.093   9.4685 -18.33162 15.62739 
1 1 1  -31   10   23 o  278.045   9.0725  214.117   13.417  198.851   20.439  225.676   17.785  268.828   14.070  287.263   11.457 -18.43445 18.14492 
1 1 1  -31   10   24 o  246.992   9.1940  169.670   11.969  156.554   18.707  178.761   15.575  238.315   14.527  255.668   11.273 -17.35301 18.38802 
1 1 1  -31   10   25 o  315.956   7.1415  273.169   11.840  275.538   15.086  269.369   19.107  318.133   8.7758  313.780   11.269 4.352386 14.28292 
1 1 1  -31   10   26 o  153.066   9.6604   67.610   7.5846   79.166   9.9118   51.284   11.781  170.156   10.780  135.976   16.034 34.17952 19.32078 
1 1 1  -31   10   27 o  124.953   9.0415   41.614   5.9649   56.690   9.3004   31.081   7.7744  143.720   11.976  106.186   13.549 37.53422 18.08307 
1 1 1  -31   10   28 o  204.911   6.4596  113.787   7.0836  120.190   10.914  109.127   9.3112  209.743   9.6299  200.079   8.6122 9.664459 12.91915 
1 1 1  -31   10   29 o  238.355   6.0699  154.714   7.7702  157.375   11.694  152.610   10.397  240.070   9.0144  236.641   8.1311 3.429596 12.13977 
1 1 1  -31   10   30 o   58.774   13.756   9.4464   5.3916   3.7585   8.5638   13.181   6.9395   50.353   20.346   67.194   18.518 -16.84120 27.51136 
1 1 1  -31   10   31 o  163.975   7.2549   73.034   6.3645   78.615   9.8472   69.030   8.3407  169.179   10.772  158.771   9.7217 10.40787 14.50989 
1 1 1  -31   10   32 f   78.829   13.046   18.557   5.7131   11.728   8.4374   24.339   7.7637   64.399   21.057   93.258   15.406 -28.85903 26.09105 
1 1 1  -31   10   33 o   70.708   13.541   14.143   5.3785   20.074   8.2939   9.8393   7.0656   82.279   19.033   59.137   19.266 23.14143 27.08194 
1 1 1  -31   10   34 o   81.196   13.123   19.698   5.6008   18.553   8.5057   20.574   7.4419   78.624   19.979   83.769   17.021 -5.144928 26.24642 
1 1 1  -31   10   35 o  160.734   7.3830   70.975   6.3943   74.460   9.4817   68.068   8.6600  164.265   10.682  157.202   10.195 7.062698 14.76601 
1 1 1  -31   10   36 o   72.464   13.462   16.276   5.5026   10.767   8.4813   20.280   7.2310   61.854   21.129   83.075   16.687 -21.22115 26.92405 
1 1 1  -31   10   37 o  129.344   8.8499   47.076   6.1301   43.412   9.0558   50.175   8.3284  124.324   13.480  134.364   11.471 -10.04041 17.69989 
1 1 1  -31   10   38 o  105.025   10.306   30.729   5.7808   34.417   9.0471   28.185   7.5150  110.054   15.213   99.996   13.908 10.05759 20.61223 
1 1 1  -31   10   39 o  108.145   10.492   32.932   6.0978   38.075   9.0843   28.716   8.2267  115.876   14.508  100.414   15.161 15.46220 20.98467 
1 1 1  -31   10   40 o   79.286   13.493   19.186   5.6642   19.273   8.7105   19.122   7.4559   78.952   20.303   79.621   17.779 -0.6684647 26.98700 
1 1 1  -31   10   41 o  134.839   8.8681   51.352   6.4350   49.498   9.4237   52.972   8.8082  132.262   13.186  137.417   11.862 -5.155289 17.73610 
1 1 1  -31   10   42 o   64.418   14.211   11.654   5.7196   18.944   8.8037   6.3294   7.5236   77.622   20.634   51.214   19.547 26.40825 28.42288 
1 1 1  -31   10   43 o  206.400   6.8836  117.150   7.6103  127.318   11.723  109.745   10.005  213.815   10.147  198.985   9.3048 14.83055 13.76715 
1 1 1  -31   10   44 f  115.827   12.947   38.108   8.1031   0.0000   0.0000   38.108   8.1031  ?   ?   115.827   12.947      ?      ? 
1 1 1  -31   10   45 o   72.647   14.819   17.001   6.1305   16.264   9.2224   17.584   8.2059   70.957   21.879   74.338   19.993 -3.380295 29.63785 
1 1 1  -31   10   46 o   65.337   15.279   13.410   6.2449   14.815   9.3902   12.295   8.3620   67.880   22.215   62.794   20.982 5.085365 30.55740 
1 1 1  -31   10   47 o   85.109   14.601   24.016   6.6038   22.364   10.256   25.187   8.6312   81.062   22.577   89.155   18.521 -8.092522 29.20187 
1 1 1  -31   10   48 o   43.341   14.078  -4.0389   7.5462  -7.4597   10.276  -0.0352   11.117   39.353   18.561   47.330   21.173 -7.976780 28.15688 
1 1 1  -31   10   49 o  196.680   11.458  116.495   11.856  111.487   18.694  119.865   15.335  190.704   18.141  202.657   14.004 -11.95322 22.91689 
1 1 1  -31   10   51 o   39.859   13.775 -15.9319   9.9410 -25.0225   14.389  -7.6306   13.750   36.434   18.165   43.285   20.713 -6.850483 27.55023 
1 1 1  -31   10   52 o   47.765   13.619  -3.4976   6.7149   16.189   10.157 -18.7805   8.9496   66.563   23.105   28.966   14.423 37.59741 27.23720 
1 1 1  -31   10   53 o   47.988   14.426   4.5581   6.8419  -1.2758   10.076   9.5490   9.3198   42.052   19.334   53.924   21.416 -11.87210 28.85202 
1 1 1  -31   11    1 o   66.463   12.885   13.111   5.1450   5.2376   8.2023   18.218   6.6062   52.790   20.345   80.136   15.817 -27.34637 25.77024 
1 1 1  -31   11    2 o  126.250   8.4508   44.506   5.5825   38.504   8.7125   48.686   7.2713  118.689   13.584  133.811   10.056 -15.12262 16.90160 
1 1 1  -31   11    3 o   38.366   12.114  -2.6519   4.9626  -2.5836   8.1070  -2.6929   6.2757   41.255   18.291   35.477   15.887 5.778286 24.22729 
1 1 1  -31   11    4 o  278.995   5.8062  211.565   8.6981  207.783   12.990  214.638   11.711  276.661   8.6892  281.330   7.7035 -4.668915 11.61233 
1 1 1  -31   11    5 o  114.517   9.2271   36.476   5.5945   31.401   8.4122   40.501   7.4912  107.095   14.536  121.939   11.369 -14.84332 18.45413 
1 1 1  -31   11    6 o  171.990   7.6010   80.691   7.0457   86.443   9.8948   74.775   10.035  178.276   10.271  165.703   11.207 12.57269 15.20209 
1 1 1  -31   11    7 o  334.865   10.718  305.180   19.394   0.0000   0.0000  305.180   19.394  ?   ?   334.865   10.718      ?      ? 
1 1 1  -31   11    8 o   58.749   14.048   9.0998   5.5834   1.2331   10.035   12.627   6.7194   50.914   21.431   66.584   18.169 -15.66972 28.09620 
1 1 1  -31   11    9 o  401.755   8.6085  438.168   18.689   0.0000   0.0000  438.168   18.689  ?   ?   401.755   8.6085      ?      ? 
1 1 1  -31   11   10 o  328.790   5.9912  292.636   10.576  300.157   15.971  286.762   14.114  332.466   8.8900  325.113   8.0340 7.352905 11.98234 
1 1 1  -31   11   11 f  137.484   8.4709   52.641   6.1410   45.130   9.3420   58.356   8.1492  128.499   13.454  146.469   10.296 -17.96994 16.94170 
1 1 1  -31   11   12 o  254.324   6.0292  176.292   8.2506  164.312   11.952  187.199   11.404  245.970   8.9921  262.679   8.0340 -16.70882 12.05833 
1 1 1  -31   11   13 o  170.964   8.9432   79.478   8.1909   82.117   12.514   77.500   10.834  173.336   13.360  168.593   11.893 4.743118 17.88646 
1 1 1  -31   11   14 o  160.849   9.3008   70.220   8.0213   74.459   12.262   67.050   10.605  164.978   13.755  156.720   12.523 8.257935 18.60159 
1 1 1  -31   11   15 o  293.630   7.8326  235.042   12.406  232.432   18.031  237.387   17.096  292.003   11.427  295.257   10.715 -3.253906 15.66513 
1 1 1  -31   11   16 o  143.810   9.3225   55.729   6.8843   59.279   11.891   53.940   8.4430  146.946   14.976  140.673   11.107 6.272690 18.64501 
1 1 1  -31   11   17 o  365.634   8.2499  363.056   16.300   0.0000   0.0000  363.056   16.300  ?   ?   365.634   8.2499      ?      ? 
1 1 1  -31   11   18 f  169.093   7.3654   77.397   6.6125   80.681   10.460   75.211   8.5342  171.938   11.258  166.247   9.4999 5.690506 14.73085 
1 1 1  -31   11   19 o  164.311   7.5102   73.601   6.5545   73.860   10.264   73.423   8.5170  164.412   11.553  164.210   9.5984 0.2025757 15.02039 
1 1 1  -31   11   20 o  134.029   8.3850   48.914   5.9735   50.407   9.3904   47.898   7.7419  135.600   12.816  132.458   10.816 3.141678 16.77000 
1 1 1  -31   11   21 o  160.183   7.3802   70.414   6.2974   67.561   9.6471   72.532   8.3128  157.193   11.357  163.173   9.4278 -5.980453 14.76050 
1 1 1  -31   11   22 o  173.026   10.614   88.000   8.0882   73.108   16.682   92.577   9.2479  161.703   19.091  184.349   9.2835 -22.64612 21.22892 
1 1 1  -31   11   23 o  169.322   11.099   80.263   9.8939   74.820   15.553   83.964   12.823  163.939   17.556  174.705   13.583 -10.76569 22.19740 
1 1 1  -31   11   24 o  101.959   14.996   25.202   8.9674   59.459   14.769   5.1959   11.286  145.754   18.752   58.164   23.408 87.58926 29.99258 
1 1 1  -31   11   25 o  150.729   10.915   63.162   7.5588   62.523   15.414   63.364   8.6733  149.222   19.116  152.236   10.543 -3.013748 21.83054 
1 1 1  -31   11   26 o   78.411   14.694   18.844   6.9615   27.247   9.0908   6.9302   10.825   97.235   17.964   59.586   23.258 37.64840 29.38756 
1 1 1  -31   11   27 o  233.736   7.5328  152.331   9.2561  163.081   12.055  136.892   14.447  244.397   9.1283  223.074   11.985 21.32292 15.06569 
1 1 1  -31   11   28 o   70.921   12.990   12.404   5.6653   26.463   8.9245   2.9142   7.3320   95.540   17.946   46.301   18.785 49.23894 25.97914 
1 1 1  -31   11   29 o   78.028   13.058   17.522   5.3993   21.187   8.2610   14.788   7.1339   85.046   18.502   71.009   18.431 14.03732 26.11575 
1 1 1  -31   11   30 o   87.492   12.371   24.360   5.6665   11.400   8.6649   34.044   7.4902   63.984   21.359  110.999   12.488 -47.01532 24.74158 
1 1 1  -31   11   31 o   59.539   14.395   9.6764   5.6019   7.4143   8.7722   11.234   7.2796   56.533   21.214   62.546   19.463 -6.013008 28.78964 
1 1 1  -31   11   32 o  122.471   9.0753   40.992   5.9491   46.549   9.2219   37.030   7.7859  129.376   13.191  115.567   12.468 13.80811 18.15070 
1 1 1  -31   11   33 o  100.446   10.846   28.304   5.8478   29.493   8.8601   27.387   7.7840  102.107   16.058   98.784   14.582 3.322327 21.69118 
1 1 1  -31   11   34 o   60.466   14.115   10.065   5.3184   12.625   8.2526   8.2465   6.9554   65.657   20.767   55.275   19.123 10.38239 28.23065 
1 1 1  -31   11   35 o   37.714   11.660  -7.1103   5.5078 -23.2362   8.4927   4.5957   7.2358   27.026   13.546   48.402   18.981 -21.37594 23.31952 
1 1 1  -31   11   36 o   53.851   14.320   6.5825   5.6428   9.4540   8.6871   4.4865   7.4218   59.271   21.296   48.432   19.150 10.83966 28.64024 
1 1 1  -31   11   37 o  261.215   6.1647  188.141   8.6412  181.353   12.864  193.723   11.665  256.618   9.2769  265.813   8.1211 -9.195648 12.32932 
1 1 1  -31   11   38 o  151.479   8.0602   63.242   6.5386   68.716   10.082   59.268   8.5904  156.879   11.893  146.080   10.883 10.79878 16.12037 
1 1 1  -31   11   39 o   68.665   14.509   14.327   5.7720   15.806   8.6744   13.152   7.7322   71.520   21.040   65.810   19.985 5.709625 29.01866 
1 1 1  -31   11   40 o   91.004   12.313   23.861   5.8799   30.587   9.1760   19.176   7.6590  102.651   16.542   79.357   18.243 23.29387 24.62605 
1 1 1  -31   11   41 o   41.780   12.725  -6.4412   5.8930   7.7646   9.0652 -16.8383   7.7553   55.826   21.421   27.733   13.744 28.09278 25.45090 
1 1 1  -31   11   42 o   57.414   14.577   8.6499   5.9092   13.217   8.7290   4.7862   8.0286   65.510   21.417   49.318   19.780 16.19233 29.15398 
1 1 1  -31   11   43 o  139.695   8.8417   56.086   6.5272   49.993   9.9705   60.656   8.6346  132.169   13.961  147.221   10.854 -15.05246 17.68336 
1 1 1  -31   11   44 o   51.793   14.605   5.6177   6.1831   8.3449   9.1442   3.3205   8.3924   56.236   21.529   47.350   19.741 8.886333 29.20989 
1 1 1  -31   11   45 o   49.677   14.181   2.3622   6.1194   11.318   9.7673  -3.4245   7.8513   61.621   22.517   37.733   17.243 23.88795 28.36132 
1 1 1  -31   11   46 f   85.754   14.244   24.803   6.7058   17.235   10.515   29.991   8.7059   71.306   23.516  100.202   16.079 -28.89663 28.48742 
1 1 1  -31   11   47 o   46.304   14.262   1.7938   6.6713   1.3504   9.9687   2.1535   8.9782   46.710   20.513   45.897   19.819 0.8125191 28.52325 
1 1 1  -31   11   48 o   78.947   19.101   22.481   9.6497   23.536   15.614   21.829   12.274   79.436   28.551   78.458   25.381 0.9773941 38.20119 
1 1 1  -31   11   50 o   46.399   21.480  -1.3676   12.749   0.0000   0.0000  -1.3676   12.749  ?   ?    46.399   21.480      ?      ? 
1 1 1  -31   11   51 o   55.742   16.250   7.6518   7.8457   2.6552   9.9868   15.707   12.680   46.684   20.516   64.799   25.206 -18.11440 32.50013 
1 1 1  -31   11   52 o   36.485   12.279  -7.3958   6.5524  -3.3861   9.9414 -10.4755   8.7127   40.360   18.782   32.610   15.822 7.750538 24.55781 
1 1 1  -31   12    1 o  209.143   6.2992  119.642   7.0139  113.384   10.728  124.314   9.2692  204.229   9.7213  214.056   8.0136 -9.826935 12.59840 
1 1 1  -31   12    2 o  253.342   5.8993  171.479   7.9655  190.189   12.564  158.902   10.300  264.656   8.7850  242.028   7.8759 22.62804 11.79857 
1 1 1  -31   12    3 o  321.784   5.9732  281.933   10.349  257.569   14.752  305.544   14.523  307.977   8.8645  335.591   8.0085 -27.61407 11.94631 
1 1 1  -31   12    4 o   53.706   13.866   5.8114   5.1705   9.7452   8.4347   3.4432   6.5442   61.541   21.071   45.872   18.032 15.66898 27.73286 
1 1 1  -31   12    5 o  275.934   6.7990  208.293   10.056  220.430   13.647  193.874   14.875  284.910   8.8644  266.959   10.312 17.95071 13.59799 
1 1 1  -31   12    6 o  164.338   7.7946   73.329   6.9009   65.720   9.5075   81.802   10.032  155.318   11.328  173.359   10.710 -18.04080 15.58912 
1 1 1  -31   12    7 f  200.026   7.1934  108.261   7.3179  110.518   12.774  107.158   8.9282  201.348   11.740  198.705   8.3151 2.643326 14.38681 
1 1 1  -31   12    8 o   49.272   14.261   2.3842   5.6291   4.4077   10.197   1.4974   6.7509   55.528   22.284   43.016   17.801 12.51161 28.52122 
1 1 1  -31   12    9 o  150.673   7.7767   62.954   6.1917   55.281   9.4474   68.732   8.1977  142.329   12.284  159.016   9.5403 -16.68726 15.55341 
1 1 1  -31   12   10 f  188.195   7.5707   96.546   7.6707   97.851   10.452   95.023   11.293  189.642   10.199  186.748   11.191 2.893951 15.14134 
1 1 1  -31   12   11 o   62.775   15.566   9.8785   6.5884   7.2590   9.9878   11.896   8.7662   59.402   22.558   66.148   21.455 -6.745945 31.13135 
1 1 1  -31   12   12 o   72.434   14.825   14.560   6.6680   6.0225   9.6536   22.349   9.2213   56.812   22.022   88.056   19.854 -31.24419 29.65038 
1 1 1  -31   12   13 o  154.897   9.4191   65.477   7.8613   68.176   11.650   63.221   10.652  157.766   13.666  152.028   12.966 5.738113 18.83825 
1 1 1  -31   12   14 o  138.592   9.8421   46.715   6.9378   74.459   12.601   34.647   8.3107  164.747   14.155  112.437   13.679 52.30975 19.68427 
1 1 1  -31   12   15 f  345.565   8.1767  324.370   15.268   0.0000   0.0000  324.370   15.268  ?   ?   345.565   8.1767      ?      ? 
1 1 1  -31   12   16 o   75.751   14.121   16.601   5.7496   16.154   9.3850   16.870   7.2745   74.989   21.835   76.514   17.911 -1.524757 28.24102 
1 1 1  -31   12   17 o  161.051   7.4734   70.028   6.4072   74.944   10.097   66.715   8.2900  165.624   11.282  156.478   9.8042 9.145935 14.94686 
1 1 1  -31   12   18 o  278.051   5.9868  210.122   8.8996  211.146   13.627  209.361   11.752  278.511   9.0549  277.591   7.8344 0.9202881 11.97368 
1 1 1  -31   12   19 o   92.029   12.278   24.184   5.8165   22.843   9.2533   25.060   7.4786   88.690   19.808   95.367   14.512 -6.676826 24.55530 
1 1 1  -31   12   20 o  156.304   7.7030   67.139   6.3755   64.785   9.9729   68.765   8.2909  153.786   12.001  158.822   9.6605 -5.036057 15.40610 
1 1 1  -31   12   21 o   71.304   14.304   13.722   5.6754   19.340   9.3603   10.456   7.1369   81.329   21.113   61.278   19.305 20.05145 28.60860 
1 1 1  -31   12   22 o  114.091   16.370   40.078   9.3465   30.653   15.886   45.068   11.559  100.855   28.102  127.326   16.800 -26.47124 32.74056 
1 1 1  -31   12   23 o  239.708   9.4814  153.609   11.968  178.716   19.756  139.054   15.042  254.391   14.372  225.026   12.370 29.36493 18.96271 
1 1 1  -31   12   24 o  220.018   6.4846  132.790   7.6450  125.362   11.382  138.896   10.319  214.223   9.8327  225.812   8.4568 -11.58891 12.96920 
1 1 1  -31   12   25 o   55.961   16.264   3.0263   6.5571   9.0225   14.526   1.4918   7.3484   67.749   26.790   44.173   18.449 23.57631 32.52836 
1 1 1  -31   12   26 o   69.133   17.227   10.423   6.6697   18.928   15.157   8.3801   7.4275   81.567   28.229   56.700   19.753 24.86669 34.45370 
1 1 1  -31   12   27 o   51.321   15.084   2.2683   6.8301   0.2282   8.9070   5.1802   10.641   46.199   19.843   56.442   22.724 -10.24317 30.16839 
1 1 1  -31   12   28 o   74.489   13.712   16.502   5.7660   10.817   8.3101   21.780   8.0070   62.538   20.917   86.439   17.737 -23.90120 27.42463 
1 1 1  -31   12   29 o   46.816   13.712   2.2204   5.5853   3.1844   8.7692   1.5625   7.2448   49.804   20.414   43.828   18.313 5.975380 27.42441 
1 1 1  -31   12   30 o   69.143   13.873   13.080   5.6943   21.149   8.7067   7.0486   7.5273   84.409   19.484   53.878   19.755 30.53121 27.74695 
1 1 1  -31   12   31 o  116.059   9.7522   37.355   6.0560   39.357   9.3295   35.897   7.9613  118.512   14.568  113.605   12.969 4.906288 19.50448 
1 1 1  -31   12   32 o   69.568   14.294   14.514   5.6654   13.307   8.8811   15.342   7.3567   67.396   21.567   71.739   18.764 -4.343140 28.58721 
1 1 1  -31   12   33 o   70.679   13.534   15.312   5.6206   8.3383   8.4760   20.784   7.5089   57.308   20.971   84.050   17.115 -26.74164 27.06815 
1 1 1  -31   12   34 o   79.569   13.618   19.699   5.7901   15.395   9.1714   22.552   7.4661   71.381   21.786   87.757   16.346 -16.37527 27.23602 
1 1 1  -31   12   35 o  205.737   6.7242  117.848   7.3733  107.703   11.081  125.909   9.8774  197.317   10.393  214.157   8.5353 -16.83989 13.44830 
1 1 1  -31   12   36 o  124.431   9.1745   43.104   6.0496   45.045   9.6200   41.834   7.7807  126.322   14.093  122.540   11.750 3.781654 18.34906 
1 1 1  -31   12   37 o   52.509   13.121   4.8605   5.7616  -7.5718   8.8695   13.937   7.5784   37.240   17.463   67.779   19.588 -30.53936 26.24203 
1 1 1  -31   12   38 o  104.396   10.992   30.836   6.1488   34.832   9.4766   27.931   8.0808  109.995   15.944   98.798   15.136 11.19671 21.98436 
1 1 1  -31   12   39 o  179.744   11.206   90.290   10.884   90.290   10.884   0.0000   0.0000  179.744   11.206  ?   ?       ?      ? 
1 1 1  -31   12   40 o  136.831   9.3895   53.521   6.8677   50.456   10.299   55.975   9.2159  132.713   14.361  140.949   12.100 -8.236725 18.77892 
1 1 1  -31   12   41 o   58.377   14.430   9.2241   6.0873   2.4943   9.0281   14.834   8.2428   47.848   20.243   68.905   20.570 -21.05722 28.86009 
1 1 1  -31   12   42 o   88.625   13.387   23.881   6.1559   26.665   9.5431   21.896   8.0562   92.687   19.663   84.564   18.172 8.123413 26.77382 
1 1 1  -31   12   43 o   45.535   13.731   1.8647   6.0096  -1.9544   9.6582   4.2775   7.6766   43.591   19.600   47.479   19.236 -3.887817 27.46251 
1 1 1  -31   12   44 o   55.543   15.144   8.0500   6.4109   7.3754   9.7454   8.5647   8.5120   55.271   21.916   55.816   20.906 -0.5448799 30.28796 
1 1 1  -31   12   45 o   54.328   14.962   7.3051   6.2581   10.710   9.8350   4.9882   8.1123   59.883   22.464   48.772   19.769 11.11093 29.92391 
1 1 1  -31   12   46 o   93.996   14.206   28.753   6.9568   29.783   10.499   27.947   9.2884   94.729   21.057   93.263   19.074 1.465935 28.41117 
1 1 1  -31   12   47 o   46.043   15.307  -7.7668   9.7483  -9.1554   14.055  -6.4797   13.532   45.607   21.570   46.479   21.723 -0.8724632 30.61341 
1 1 1  -31   12   48 o   36.366   18.072 -26.9144   13.770   0.0000   0.0000 -26.9144   13.770  ?   ?    36.366   18.072      ?      ? 
1 1 1  -31   12   49 o  107.789   23.739   42.815   13.453   0.0000   0.0000   42.815   13.453  ?   ?   107.789   23.739      ?      ? 
1 1 1  -31   12   50 o   50.841   16.399   1.6285   9.6419   5.7230   15.772  -0.8149   12.184   55.358   24.955   46.323   21.284 9.034927 32.79839 
1 1 1  -31   12   51 o   65.742   15.081   14.961   7.2822   2.4782   10.817   25.310   9.8484   47.446   21.077   84.038   21.576 -36.59152 30.16291 
1 1 1  -31   12   52 o   92.758   14.131   32.028   7.1197   20.696   10.500   41.672   9.6863   71.365   23.498  114.151   15.703 -42.78603 28.26211 
1 1 1  -31   13    1 o  290.551   8.0704  229.201   12.671   0.0000   0.0000  229.201   12.671  ?   ?   290.551   8.0704      ?      ? 
1 1 1  -31   13    2 o  135.324   8.1990   49.441   5.9007   52.884   9.3288   47.145   7.6183  139.111   12.410  131.536   10.718 7.575317 16.39792 
1 1 1  -31   13    3 o  101.987   10.879   29.651   5.5830   26.492   9.0347   31.603   7.1012   96.413   18.004  107.561   12.218 -11.14797 21.75800 
1 1 1  -31   13    4 o  327.915   6.1166  292.944   10.807  275.828   15.562  308.891   15.020  318.554   9.0404  337.277   8.2416 -18.72318 12.23326 
1 1 1  -31   13    5 o  219.888   6.9903  132.081   8.2654  145.995   11.635  117.905   11.744  231.715   9.2922  208.061   10.446 23.65480 13.98062 
1 1 1  -31   13    6 f  164.000   8.0765   73.639   6.7728   72.545   11.588   74.207   8.3469  162.811   13.171  165.190   9.3509 -2.378815 16.15306 
1 1 1  -31   13    7 o   45.505   13.578  -5.0354   6.2530   7.5698   9.8749 -13.4730   8.0792   59.616   22.480   31.394   15.233 28.22165 27.15531 
1 1 1  -31   13    8 o  136.980   10.328   52.517   7.4641   45.833   11.406   57.523   9.8713  128.928   16.372  145.033   12.596 -16.10474 20.65628 
1 1 1  -31   13    9 o  108.494   12.629   33.458   7.0649   30.991   10.937   35.225   9.2553  103.813   20.223  113.174   15.134 -9.360924 25.25869 
1 1 1  -31   13   10 o  144.783   9.7917   57.255   7.6029   59.482   11.570   55.563   10.086  147.135   14.552  142.430   13.105 4.705200 19.58348 
1 1 1  -31   13   11 o  124.083   11.219   41.818   7.4410   51.554   11.245   34.234   9.9243  136.839   15.208  111.326   16.497 25.51384 22.43777 
1 1 1  -31   13   12 o  132.477   9.2705   45.127   6.2948   57.703   11.260   39.410   7.5921  144.875   14.383  120.079   11.701 24.79608 18.54101 
1 1 1  -31   13   13 o   60.024   14.510   9.0401   5.6370   11.860   8.6841   6.9865   7.4104   65.742   21.356   54.305   19.648 11.43657 29.01958 
1 1 1  -31   13   14 o   56.471   12.611   5.9675   5.7453  -9.8245   9.0042   16.812   7.4616   36.678   17.322   76.264   18.333 -39.58555 25.22179 
1 1 1  -31   13   15 o   60.711   14.580   8.8758   5.6389   13.515   9.2184   6.1018   7.1281   69.417   21.948   52.004   19.199 17.41319 29.16032 
1 1 1  -31   13   16 o  133.264   8.6786   49.022   6.1117   46.847   9.5882   50.510   7.9321  130.545   13.592  135.983   10.795 -5.438263 17.35721 
1 1 1  -31   13   17 o  192.620   6.8107  100.964   6.9886  102.179   10.861  100.106   9.1298  193.469   10.389  191.772   8.8103 1.696548 13.62139 
1 1 1  -31   13   18 o   97.734   11.021   25.706   5.7205   30.392   9.1887   22.740   7.3098  104.711   16.240   90.756   14.905 13.95490 22.04283 
1 1 1  -31   13   19 o   92.081   12.654   25.183   5.9788   19.089   9.3193   29.446   7.7942   80.778   21.114  103.385   13.952 -22.60699 25.30721 
1 1 1  -31   13   20 o  157.608   7.7368   68.798   6.4084   64.010   10.127   71.996   8.2761  152.727   12.271  162.489   9.4257 -9.761993 15.47364 
1 1 1  -31   13   21 o  125.629   15.472   43.698   9.6356   51.036   17.233   40.360   11.622  131.122   25.239  120.136   17.903 10.98592 30.94337 
1 1 1  -31   13   22 o   82.118   16.992   20.446   9.5173  -0.9802   16.077   32.005   11.809   59.919   26.189  104.317   21.657 -44.39771 33.98415 
1 1 1  -31   13   23 o   53.763   15.588   3.6580   7.1014   3.2631   9.1346   4.2613   11.290   50.951   20.854   56.575   23.173 -5.623573 31.17512 
1 1 1  -31   13   24 o   58.833   14.591   8.6153   5.6859   11.458   8.9114   6.6635   7.3843   64.495   21.660   53.172   19.556 11.32325 29.18198 
1 1 1  -31   13   25 o  162.196   7.9465   75.359   6.6531   58.383   10.272   87.627   8.7322  145.300   13.083  179.091   9.0232 -33.79065 15.89293 
1 1 1  -31   13   26 o  104.384   15.012   39.307   6.9319   18.617   14.691   45.233   7.8622   80.545   27.796  128.222   11.347 -47.67723 30.02325 
1 1 1  -31   13   27 o   58.573   14.506   7.5174   5.7425   14.377   9.3513   3.3643   7.2760   70.332   22.088   46.814   18.811 23.51748 29.01275 
1 1 1  -31   13   28 o   99.024   13.650   31.379   7.0342   44.703   9.4256   14.631   10.568  126.764   13.760   71.284   23.578 55.47925 27.29967 
1 1 1  -31   13   29 o   40.575   12.728  -2.1971   5.6312  -6.0092   8.7207   0.5293   7.3750   38.656   17.850   42.495   18.148 -3.838451 25.45522 
1 1 1  -31   13   30 o   89.951   12.494   25.869   5.7946   13.401   8.9027   35.033   7.6327   67.639   21.588  112.264   12.582 -44.62485 24.98716 
1 1 1  -31   13   31 o  152.544   8.1380   65.319   6.4683   60.797   10.434   68.142   8.2433  147.658   13.077  157.430   9.6901 -9.772003 16.27598 
1 1 1  -31   13   32 o   66.171   14.386   12.855   5.6022   13.941   8.5485   12.037   7.4169   68.408   21.060   63.933   19.605 4.474895 28.77266 
1 1 1  -31   13   33 o   84.292   13.503   21.501   5.9465   20.609   9.2288   22.133   7.7758   82.093   20.784   86.490   17.243 -4.396645 27.00514 
1 1 1  -31   13   34 o   42.869   12.942  -2.3102   5.5910   6.1606   8.6828  -8.3105   7.3077   53.456   20.840   32.282   15.351 21.17421 25.88330 
1 1 1  -31   13   35 o   74.538   13.430   14.921   5.9264   28.771   9.3693   5.6839   7.6517   98.218   18.327   50.858   19.636 47.36023 26.86038 
1 1 1  -31   13   36 o   95.263   12.492   28.131   6.0359   20.719   9.3633   33.401   7.8954   81.723   21.069  108.802   13.429 -27.07948 24.98452 
1 1 1  -31   13   37 o   91.558   12.310   24.616   5.7564   27.444   9.2525   22.830   7.3526   95.249   18.644   87.867   16.078 7.382408 24.61939 
1 1 1  -31   13   38 f   70.201   14.650   15.424   5.9227   13.972   9.3204   16.407   7.6705   67.458   22.135   72.944   19.199 -5.486382 29.30094 
1 1 1  -31   13   39 f  147.353   8.5098   59.612   6.6825   71.392   10.568   51.763   8.6260  159.039   12.297  135.667   11.767 23.37164 17.01950 
1 1 1  -31   13   40 o  156.627   8.3428   68.432   6.9559   72.466   10.931   65.687   9.0171  160.011   12.642  153.243   10.889 6.767776 16.68550 
1 1 1  -31   13   41 o   51.422   14.411   5.7471   5.9595   4.5056   9.0002   6.7164   7.9528   50.481   20.685   52.363   20.070 -1.882755 28.82162 
1 1 1  -31   13   42 o  104.683   11.284   31.992   6.3250   33.814   9.7096   30.649   8.3364  106.782   16.827  102.584   15.039 4.198189 22.56816 
1 1 1  -31   13   43 o   51.469   14.859   5.2537   6.4720   5.5962   9.9873   5.0058   8.4976   53.032   21.767   49.905   20.231 3.126762 29.71725 
1 1 1  -31   13   44 o   54.925   15.138   7.7225   6.4005   10.393   10.007   5.8738   8.3265   59.412   22.575   50.439   20.174 8.973499 30.27562 
1 1 1  -31   13   45 o   67.661   13.386   12.977   6.9674  -6.4371   10.370   28.953   9.4071   40.265   18.882   95.057   18.979 -54.79137 26.77166 
1 1 1  -31   13   46 o   80.456   19.035   23.694   9.7174   22.725   15.020   24.392   12.744   78.464   28.023   82.448   25.768 -3.983902 38.06918 
1 1 1  -31   13   47 o   44.409   14.852 -10.1310   9.6643 -20.2703   15.085  -3.0721   12.587   41.455   20.269   47.363   21.714 -5.907604 29.70400 
1 1 1  -31   13   48 o   61.219   25.064   12.941   13.200   0.0000   0.0000   12.941   13.200  ?   ?    61.219   25.064      ?      ? 
1 1 1  -31   13   49 o   80.049   19.365   26.637   10.514   38.671   15.744   16.950   14.126   94.551   28.474   65.547   26.255 29.00356 38.73097 
1 1 1  -31   13   50 o   63.507   16.068   14.646   7.0476   12.661   10.438   16.310   9.5545   60.238   23.016   66.777   22.428 -6.539562 32.13612 
1 1 1  -31   13   51 o   68.806   15.962   18.205   6.8412   22.742   10.483   14.839   9.0288   75.301   23.344   62.311   21.775 12.99023 31.92331 
1 1 1  -31   14    1 o  174.109   7.0262   82.676   6.5224   82.311   10.064   82.941   8.5645  173.651   10.725  174.566   9.0793 -0.9152679 14.05230 
1 1 1  -31   14    2 o  229.667   6.3855  144.643   7.8290  135.501   11.810  151.811   10.457  222.996   9.8006  236.338   8.1881 -13.34126 12.77099 
1 1 1  -31   14    4 o  116.056   10.709   37.364   6.6372   30.793   9.3524   44.032   9.4209  105.509   16.404  126.603   13.771 -21.09313 21.41780 
1 1 1  -31   14    5 o   78.848   14.658   17.226   6.3601   24.032   9.9530   12.529   8.2684   90.894   20.724   66.802   20.736 24.09184 29.31674 
1 1 1  -31   14    6 o  130.167   10.169   47.595   6.9922   40.135   10.491   53.559   9.3794  120.495   16.112  139.838   12.413 -19.34309 20.33878 
1 1 1  -31   14    7 o  107.663   12.002   31.808   6.8999   34.167   10.755   30.158   8.9949  110.860   17.954  104.466   15.934 6.394493 24.00486 
1 1 1  -31   14    8 o  109.299   12.938   35.943   7.0279   24.595   10.808   44.257   9.2506   91.657   22.083  126.942   13.486 -35.28581 25.87557 
1 1 1  -31   14    9 o  230.292   7.3258  144.493   8.6476  145.360   14.800  144.044   10.656  230.462   11.885  230.123   8.5691 0.3381195 14.65168 
1 1 1  -31   14   10 o  211.449   8.4495  121.602   9.6544   0.0000   0.0000  121.602   9.6544  ?   ?   211.449   8.4495      ?      ? 
1 1 1  -31   14   11 o  233.472   6.3938  147.459   7.9579  154.054   12.422  142.869   10.364  237.743   9.6697  229.201   8.3677 8.542160 12.78751 
1 1 1  -31   14   12 o   70.846   12.637   14.891   5.6483   2.7545   8.8524   23.225   7.3355   49.927   20.493   91.764   14.793 -41.83709 25.27456 
1 1 1  -31   14   13 o   59.467   14.580   8.6346   5.6683   11.892   8.9557   6.4574   7.3213   65.918   21.701   53.016   19.476 12.90219 29.15917 
1 1 1  -31   14   14 o   81.948   13.094   20.020   5.7109   14.674   9.1009   23.493   7.3348   71.618   21.667   92.277   14.710 -20.65887 26.18856 
1 1 1  -31   14   15 o  206.732   6.7552  115.420   7.4525  123.318   11.636  109.926   9.7039  212.555   10.131  200.908   8.9384 11.64713 13.51042 
1 1 1  -31   14   16 o  173.749   7.4245   84.159   6.7855   73.787   10.486   91.632   8.9005  164.091   11.825  183.407   8.9807 -19.31578 14.84901 
1 1 1  -31   14   17 o  144.873   8.5235   55.899   6.5697   68.002   10.459   48.012   8.4433  157.405   12.296  132.341   11.807 25.06390 17.04691 
1 1 1  -31   14   18 o   81.960   13.553   19.622   5.7923   19.148   9.2864   19.923   7.4104   80.772   21.060   83.148   17.065 -2.376396 27.10575 
1 1 1  -31   14   19 o  167.578   7.5835   76.725   6.7010   77.560   10.740   76.192   8.5746  168.088   11.825  167.067   9.4981 1.020340 15.16695 
1 1 1  -31   14   20 o  130.638   15.137   46.904   10.355   56.104   17.411   41.869   12.880  139.618   23.078  121.658   19.592 17.95981 30.27300 
1 1 1  -31   14   21 o   74.740   18.680   15.265   9.5610   9.3761   15.535   18.856   12.131   69.388   27.620   80.091   25.158 -10.70351 37.36066 
1 1 1  -31   14   22 o   59.869   15.364   4.8299   7.1496  -4.1770   9.3356   17.606   11.119   42.327   19.129   77.411   24.049 -35.08380 30.72841 
1 1 1  -31   14   23 o  143.123   8.4587   57.706   6.3306   50.581   9.9288   62.586   8.2175  135.104   13.600  151.141   10.062 -16.03706 16.91742 
1 1 1  -31   14   24 o  113.002   10.209   35.634   6.1078   34.971   9.5915   36.086   7.9216  111.771   15.881  114.232   12.833 -2.460915 20.41787 
1 1 1  -31   14   25 o  200.211   6.8453  111.294   7.2888   99.039   10.934  121.096   9.7786  189.866   10.657  210.557   8.5945 -20.69156 13.69070 
1 1 1  -31   14   26 f   46.748   13.784   2.1436   5.7232  -0.8625   9.5523   3.8270   7.1482   46.248   20.201   47.249   18.759 -1.001038 27.56741 
1 1 1  -31   14   27 o  152.899   12.185   70.038   7.7194   60.135   17.268   72.511   8.6296  143.295   22.302  162.503   9.8275 -19.20802 24.37081 
1 1 1  -31   14   28 o   54.778   14.650   5.9644   5.8842   10.789   9.5669   3.0288   7.4627   63.146   22.385   46.409   18.905 16.73669 29.29984 
1 1 1  -31   14   29 o  172.806   8.8839   83.706   8.1975   88.314   10.990   77.928   12.307  178.651   11.384  166.962   13.641 11.68916 17.76773 
1 1 1  -31   14   30 o   96.850   11.919   26.748   5.9926   28.993   9.5176   25.273   7.7137   99.048   18.462   94.652   15.081 4.395538 23.83879 
1 1 1  -31   14   31 o   92.688   12.557   25.146   5.9649   26.915   9.4368   23.969   7.6977   94.861   19.071   90.515   16.339 4.345551 25.11344 
1 1 1  -31   14   32 o   40.174   12.671  -2.2225   5.6314  -6.8949   9.1570   0.6194   7.1414   38.688   18.011   41.660   17.827 -2.972359 25.34138 
1 1 1  -31   14   33 o   65.806   14.743   12.990   5.9058   11.192   9.0071   14.345   7.8218   62.745   21.759   68.866   19.900 -6.120567 29.48610 
1 1 1  -31   14   34 o  125.952   9.8647   45.911   6.5116   38.872   9.9831   51.123   8.5907  116.536   15.853  135.367   11.744 -18.83157 19.72945 
1 1 1  -31   14   35 o   52.980   14.358   6.5830   5.7007   6.4303   8.8660   6.6907   7.4433   53.825   21.038   52.136   19.545 1.688869 28.71606 
1 1 1  -31   14   36 o   55.794   14.628   7.4683   5.7502   11.364   9.4010   5.1397   7.2685   62.728   22.195   48.859   19.062 13.86909 29.25683 
1 1 1  -31   14   37 o  125.497   9.6912   45.084   6.4489   43.299   10.002   46.353   8.4370  122.686   15.086  128.309   12.169 -5.623009 19.38248 
1 1 1  -31   14   38 o   94.105   13.322   26.614   6.4694   30.957   10.105   23.597   8.4217  100.354   19.335   87.855   18.332 12.49932 26.64433 
1 1 1  -31   14   39 o   57.360   15.050   8.2345   6.2535   12.613   9.5817   4.9855   8.2536   64.676   22.441   50.044   20.061 14.63153 30.10060 
1 1 1  -31   14   40 o   47.939   13.883   0.4200   5.9950   10.612   9.7559  -5.7634   7.5990   60.933   22.468   34.945   16.315 25.98841 27.76648 
1 1 1  -31   14   41 o   37.549   12.379  -5.9227   6.0131  -4.0102   9.4342  -7.2313   7.8037   41.037   18.808   34.062   16.099 6.974667 24.75711 
1 1 1  -31   14   42 o  133.844   9.6328   51.934   6.7930   49.976   10.723   53.247   8.7794  130.715   15.181  136.974   11.862 -6.259171 19.26561 
1 1 1  -31   14   43 o  106.113   12.337   31.775   6.6162   50.345   11.182   21.770   8.2070  129.708   15.953   82.517   18.822 47.19125 24.67359 
1 1 1  -31   14   44 o   41.861   13.777 -11.0825   7.6888 -21.5862   9.9730   4.3086   12.072   30.590   15.231   53.133   22.962 -22.54321 27.55394 
1 1 1  -31   14   45 o   60.583   17.245   6.7590   9.9353  -9.3986   14.995   19.403   13.265   47.032   22.255   74.135   26.350 -27.10355 34.49059 
1 1 1  -31   14   46 o   37.031   13.006 -27.0595   10.028 -31.7568   15.077 -23.3333   13.429   36.953   18.451   37.110   18.335 -0.1575470 26.01182 
1 1 1  -31   14   47 o   43.554   20.510  -5.1059   12.461   0.0000   0.0000  -5.1059   12.461  ?   ?    43.554   20.510      ?      ? 
1 1 1  -31   14   48 o   51.746   16.572   1.6959   10.442  -9.0203   16.070   9.5270   13.738   46.194   22.181   57.298   24.627 -11.10435 33.14376 
1 1 1  -31   14   49 o   59.630   15.856   12.118   6.8811   14.393   10.549   10.432   9.0786   62.936   23.332   56.323   21.478 6.613342 31.71286 
1 1 1  -31   14   50 o   59.628   15.968   13.627   7.1269   11.738   10.700   15.133   9.5550   56.796   22.815   62.459   22.346 -5.662987 31.93553 
1 1 1  -31   15    1 o   49.285   14.378   2.4778   6.1918   1.1331   9.4044   3.5068   8.2265   48.939   20.680   49.632   19.981 -0.6926270 28.75625 
1 1 1  -31   15    2 f   87.527   13.863   22.129   6.3547   23.423   9.6363   21.133   8.4532   89.645   20.357   85.409   18.823 4.235634 27.72600 
1 1 1  -31   15    3 o   50.987   14.644   2.8965   6.4815  -1.2919   9.5897   6.4189   8.7943   46.419   20.259   55.555   21.150 -9.136082 29.28763 
1 1 1  -31   15    4 o  196.363   8.2203  106.321   8.6325   99.167   12.903  112.117   11.614  190.126   12.560  202.599   10.609 -12.47360 16.44057 
1 1 1  -31   15    5 o  318.493   7.8480  277.474   13.482  275.450   19.631  279.279   18.547  317.273   11.450  319.714   10.736 -2.441803 15.69596 
1 1 1  -31   15    6 o   44.438   13.647  -4.6215   5.9879   5.4730   10.463  -9.5382   7.3020   57.110   22.688   31.765   15.172 25.34490 27.29325 
1 1 1  -31   15    7 o   44.535   13.349   0.6682   5.4923   1.1581   8.5562   0.3249   7.1629   46.942   19.775   42.129   17.936 4.812466 26.69747 
1 1 1  -31   15    8 o  109.114   10.671   32.198   5.9294   46.306   9.2553   22.378   7.7222  129.801   13.195   88.428   16.775 41.37314 21.34267 
1 1 1  -31   15    9 o   71.507   14.292   14.300   5.7600   18.411   8.9107   11.350   7.5493   79.416   20.592   63.598   19.826 15.81742 28.58459 
1 1 1  -31   15   10 o   47.714   13.179   2.5878   5.5048  -6.3896   8.8181   8.3203   7.0465   39.026   17.995   56.403   19.259 -17.37653 26.35806 
1 1 1  -31   15   11 o   38.225   12.373  -5.0121   5.6975  -7.1751   8.9465  -3.5364   7.3897   38.662   17.932   37.787   17.053 0.8752441 24.74611 
1 1 1  -31   15   12 o  201.727   6.9381  109.243   7.4364  120.687   11.855  101.819   9.5485  210.164   10.439  193.290   9.1420 16.87411 13.87624 
1 1 1  -31   15   13 o  174.347   7.4213   84.020   6.8272   78.380   10.680   87.918   8.8778  169.101   11.688  179.593   9.1481 -10.49181 14.84269 
1 1 1  -31   15   14 o   70.681   14.705   13.914   5.9483   17.787   9.3423   11.273   7.7140   77.928   21.490   63.434   20.079 14.49402 29.41101 
1 1 1  -31   15   15 o   49.101   14.079   3.2938   5.7348   3.1104   9.0701   3.4161   7.4022   50.727   20.773   47.475   19.010 3.251766 28.15834 
1 1 1  -31   15   16 o   70.963   14.496   13.321   5.8973   20.988   9.6316   8.7234   7.4589   84.327   21.169   57.599   19.810 26.72869 28.99253 
1 1 1  -31   15   17 o  109.316   10.486   32.043   6.0524   38.601   9.9358   28.173   7.6317  117.746   15.616  100.886   13.999 16.85960 20.97227 
1 1 1  -31   15   18 o  187.023   7.4128   97.852   7.2943   85.251   11.233  107.040   9.5920  176.039   11.808  198.007   8.9648 -21.96779 14.82568 
1 1 1  -31   15   19 o   83.303   19.470   20.093   9.8880   20.926   16.728   19.646   12.259   85.214   29.647   81.391   25.246 3.822853 38.93961 
1 1 1  -31   15   20 o  244.370   10.505  167.529   13.514  160.135   21.401  172.432   17.428  238.968   16.573  249.772   12.912 -10.80380 21.00944 
1 1 1  -31   15   21 o   89.999   16.190   24.988   7.9602   28.994   10.422   19.378   12.332   99.227   20.126   80.772   25.365 18.45488 32.37983 
1 1 1  -31   15   22 o   60.550   14.151   10.166   5.7521   3.4072   9.3485   14.283   7.2968   51.376   21.070   69.723   18.896 -18.34748 28.30184 
1 1 1  -31   15   23 o   53.729   14.335   5.0466   5.7047   11.141   9.3134   1.3869   7.2170   63.985   22.129   43.473   18.230 20.51189 28.67084 
1 1 1  -31   15   24 o  182.635   7.3162   92.124   7.0431   89.485   11.179   93.862   9.0693  180.096   11.487  185.173   9.0637 -5.076492 14.63249 
1 1 1  -31   15   25 f  140.360   8.9112   55.556   6.5737   50.360   10.284   59.145   8.5480  134.226   14.179  146.495   10.798 -12.26895 17.82239 
1 1 1  -31   15   26 o   59.527   14.675   7.8847   5.8659   15.522   9.6864   3.4621   7.3712   72.148   22.452   46.906   18.903 25.24186 29.34968 
1 1 1  -31   15   27 o  280.187   6.3611  213.511   9.4471  224.410   15.045  206.416   12.139  285.679   9.7458  274.695   8.1777 10.98410 12.72228 
1 1 1  -31   15   28 o  104.548   16.532   37.266   7.3207   25.608   17.824   39.631   8.0291   89.762   30.630  119.334   12.451 -29.57272 33.06423 
1 1 1  -31   15   29 o  143.207   8.7608   55.863   6.6670   64.449   10.669   50.362   8.5396  151.801   13.007  134.613   11.740 17.18791 17.52151 
1 1 1  -31   15   30 o   69.983   16.528   14.627   7.3352   15.253   9.9003   13.865   10.922   71.023   22.776   68.943   23.957 2.080193 33.05593 
1 1 1  -31   15   31 o   56.331   14.683   7.6616   5.8071   10.713   9.2692   5.6900   7.4505   62.092   22.031   50.571   19.416 11.52106 29.36577 
1 1 1  -31   15   32 o  119.678   9.7142   38.380   6.1237   51.799   10.026   30.396   7.7338  135.550   13.688  103.805   13.787 31.74521 19.42831 
1 1 1  -31   15   33 o   64.025   14.856   12.193   5.8683   11.619   9.4213   12.558   7.5011   63.507   22.240   64.543   19.703 -1.036053 29.71256 
1 1 1  -31   15   34 o   52.349   14.464   5.9656   5.7914   6.8106   9.3823   5.4455   7.3611   55.079   21.610   49.618   19.231 5.461216 28.92801 
1 1 1  -31   15   35 o   63.057   14.377   11.883   6.0697   4.5264   9.3513   17.238   7.9789   51.464   21.086   74.651   19.549 -23.18670 28.75346 
1 1 1  -31   15   36 o   74.316   14.567   16.214   6.2756   25.521   9.7769   9.6926   8.1840   90.318   20.502   58.313   20.700 32.00546 29.13447 
1 1 1  -31   15   37 o  168.769   7.9774   78.362   7.2009   91.389   11.195   69.167   9.4050  180.393   11.484  157.145   11.076 23.24873 15.95481 
1 1 1  -31   15   38 o  158.452   8.3703   69.681   7.0434   76.165   11.221   65.466   9.0480  163.982   12.663  152.922   10.950 11.06029 16.74069 
1 1 1  -31   15   39 o   40.318   13.025  -3.6986   6.2343  -2.4670   9.6474  -4.5817   8.1692   43.123   19.471   37.513   17.306 5.609795 26.05011 
1 1 1  -31   15   40 o  123.005   10.939   45.986   6.9008   36.649   10.812   52.404   8.9642  110.259   18.147  135.750   12.220 -25.49142 21.87781 
1 1 1  -31   15   41 o   73.961   15.491   16.780   6.6707   25.019   10.711   11.560   8.5259   86.744   22.618   61.178   21.172 25.56557 30.98102 
1 1 1  -31   15   42 o  114.290   12.118   41.127   6.9220   35.653   11.069   44.642   8.8705  104.741   20.290  123.838   13.256 -19.09707 24.23630 
1 1 1  -31   15   43 o   48.155   14.511  -3.4789   7.8405   11.973   10.939 -19.8063   11.244   62.066   23.598   34.244   16.893 27.82153 29.02113 
1 1 1  -31   15   44 o   68.106   17.537   14.271   9.5123   0.5142   14.648   24.302   12.508   53.557   24.105   82.655   25.479 -29.09829 35.07454 
1 1 1  -31   15   45 o   53.495   16.528   0.3793   9.3249   12.635   14.338  -8.6036   12.275   64.496   26.231   42.495   20.116 22.00140 33.05663 
1 1 1  -31   15   46 o   71.406   19.819   19.016   11.248   38.198   18.670   8.0878   14.092   87.208   31.233   55.603   24.405 31.60500 39.63718 
1 1 1  -31   15   47 o   50.243   16.361  -1.7599   10.013   8.8221   16.046  -8.5090   12.815   58.413   25.824   42.074   20.096 16.33976 32.72173 
1 1 1  -31   15   48 o   80.739   17.725   27.110   9.2340   33.798   12.027   17.504   14.413   95.216   23.514   66.262   26.528 28.95337 35.44917 
1 1 1  -31   15   49 o   44.637   14.178   1.8937   6.9830   3.7001   11.055   0.6943   9.0077   47.506   21.193   41.768   18.841 5.738132 28.35691 
1 1 1  -31   16    1 o   37.996   12.239  -5.1294   5.6773 -11.0225   8.9487  -1.1596   7.3446   35.484   16.905   40.508   17.703 -5.023727 24.47850 
1 1 1  -31   16    2 o  188.342   8.0036   97.056   8.1320   89.498   11.291  105.203   11.722  180.677   11.565  196.008   11.068 -15.33119 16.00721 
1 1 1  -31   16    3 o  266.712   7.2072  194.286   10.333  193.415   13.906  195.360   15.439  266.195   9.6674  267.228   10.692 -1.032806 14.41440 
1 1 1  -31   16    4 o  192.409   7.6228  102.030   7.6326   98.491   12.497  104.135   9.6394  189.386   12.211  195.432   9.1278 -6.045578 15.24563 
1 1 1  -31   16    5 o  126.794   9.8494   41.200   6.5028   59.730   11.011   31.274   8.0584  147.142   13.848  106.446   14.010 40.69568 19.69873 
1 1 1  -31   16    6 o  279.097   8.3554  212.084   12.601   0.0000   0.0000  212.084   12.601  ?   ?   279.097   8.3554      ?      ? 
1 1 1  -31   16    7 o  296.371   6.3470  240.628   10.113  219.521   14.575  260.228   14.045  283.613   9.5101  309.129   8.4081 -25.51627 12.69402 
1 1 1  -31   16    9 f   79.197   13.707   16.996   6.0143   28.101   9.5000   9.5687   7.7696   98.619   18.507   59.774   20.224 38.84449 27.41359 
1 1 1  -31   16   10 o  182.378   7.3603   90.743   7.1630   92.726   11.088   89.323   9.3837  183.912   11.158  180.845   9.6024 3.067612 14.72065 
1 1 1  -31   16   11 o   54.589   14.569   6.2502   5.7899   8.3357   9.1260   4.8451   7.4905   59.099   21.740   50.080   19.403 9.019402 29.13893 
1 1 1  -31   16   12 o  117.949   10.096   38.690   6.3389   37.636   9.7636   39.458   8.3341  116.285   15.538  119.613   12.894 -3.327820 20.19149 
1 1 1  -31   16   13 o  148.073   8.4147   58.969   6.6212   67.709   10.594   53.366   8.4821  156.737   12.508  139.409   11.260 17.32729 16.82941 
1 1 1  -31   16   14 o   65.832   14.592   12.577   5.8782   8.6867   9.4134   15.064   7.5259   59.971   22.076   71.694   19.088 -11.72273 29.18406 
1 1 1  -31   16   15 f  130.686   9.1982   45.992   6.4112   55.781   10.075   39.331   8.3111  142.047   13.126  119.326   12.890 22.72099 18.39640 
1 1 1  -31   16   16 o  216.884   10.318  128.947   12.092  128.947   12.092   0.0000   0.0000  216.884   10.318  ?   ?       ?      ? 
1 1 1  -31   16   17 f   72.679   14.684   16.071   6.2302   10.298   10.063   19.659   7.9337   63.459   22.906   81.899   18.379 -18.43966 29.36776 
1 1 1  -31   16   18 o  162.112   12.996   73.027   10.980   79.820   18.414   69.279   13.677  166.980   20.408  157.244   16.097 9.736633 25.99188 
1 1 1  -31   16   19 f   86.575   17.924   23.040   10.447   2.5743   16.728   36.126   13.376   63.547   27.240  109.603   23.303 -46.05597 35.84781 
1 1 1  -31   16   20 o   79.900   17.292   18.634   7.9954   16.745   10.172   21.687   12.933   75.193   22.942   84.607   25.879 -9.413902 34.58426 
1 1 1  -31   16   21 o  193.456   7.1385  102.507   7.3119  103.981   11.589  101.533   9.4245  194.307   11.038  192.604   9.0553 1.702637 14.27691 
1 1 1  -31   16   22 o   43.288   13.408  -2.3786   5.9008   3.0593   9.6003  -5.6802   7.4806   51.143   21.201   35.432   16.421 15.71111 26.81639 
1 1 1  -31   16   23 o   44.285   13.479  -0.1419   5.9800  -5.7564   9.6675   3.3376   7.6107   41.316   18.974   47.253   19.150 -5.936817 26.95828 
1 1 1  -31   16   24 o   99.186   12.791   30.240   6.2834   23.300   10.331   34.315   7.9158   87.449   21.909  110.923   13.206 -23.47370 25.58124 
1 1 1  -31   16   25 o  173.921   12.267   84.045   11.529   84.045   11.529   0.0000   0.0000  173.921   12.267  ?   ?       ?      ? 
1 1 1  -31   16   26 o  157.902   8.1180   67.642   6.7737   76.062   11.014   62.520   8.5903  165.330   12.329  150.474   10.565 14.85626 16.23594 
1 1 1  -31   16   27 o   32.375   11.097 -12.4745   5.8941 -14.2166   9.3208 -11.3138   7.6084   33.817   16.398   30.934   14.955 2.882879 22.19363 
1 1 1  -31   16   28 o   86.402   13.956   21.566   6.2738   28.728   10.210   17.221   7.9523   97.434   20.060   75.371   19.409 22.06342 27.91240 
1 1 1  -31   16   29 o   93.689   15.145   35.837   7.7633   1.2914   17.996   43.736   8.6052   62.398   27.479  124.980   12.742 -62.58241 30.28903 
1 1 1  -31   16   30 o   91.446   13.529   24.101   6.5804   33.168   10.211   17.660   8.6059  107.007   17.659   75.885   20.502 31.12172 27.05864 
1 1 1  -31   16   31 o   99.749   15.179   30.859   7.7574   31.179   9.8595   30.338   12.568  101.948   18.582   97.549   24.006 4.399391 30.35761 
1 1 1  -31   16   32 o   95.664   13.265   27.471   6.5522   27.018   10.485   27.761   8.3925   93.113   21.302   98.216   15.813 -5.103287 26.52950 
1 1 1  -31   16   33 o  131.143   9.6332   46.992   6.6946   59.581   10.807   39.152   8.5281  144.771   13.814  117.515   13.430 27.25613 19.26633 
1 1 1  -31   16   34 o   58.489   13.854   8.9628   6.1196  -2.3377   9.5578   16.814   7.9666   43.436   19.518   73.542   19.666 -30.10546 27.70709 
1 1 1  -31   16   35 o   72.387   14.693   14.878   6.1723   24.722   10.068   8.9498   7.8129   88.304   21.337   56.470   20.206 31.83389 29.38635 
1 1 1  -31   16   36 f   88.602   14.168   23.635   6.4518   28.343   10.677   20.926   8.0974   94.712   21.370   82.493   18.608 12.21918 28.33638 
1 1 1  -31   16   37 o   79.839   14.976   20.308   6.4550   20.348   10.459   20.283   8.2041   78.974   23.066   80.703   19.108 -1.729073 29.95240 
1 1 1  -31   16   38 f   49.950   14.179   4.0269   6.3982  -4.8377   10.184   9.8071   8.2238   41.980   19.351   57.919   20.730 -15.93825 28.35867 
1 1 1  -31   16   39 o   85.436   14.010   25.347   6.9795   10.254   11.058   35.342   8.9983   60.880   23.578  109.993   15.139 -49.11329 28.01994 
1 1 1  -31   16   40 f   62.015   15.744   12.083   6.7812   9.6467   10.384   13.894   8.9543   58.644   22.810   65.386   21.707 -6.742550 31.48816 
1 1 1  -31   16   41 o   40.885   13.370  -4.0723   6.8438  -4.8331   10.792  -3.5607   8.8511   42.369   19.667   39.401   18.117 2.967926 26.73979 
1 1 1  -31   16   42 f  132.328   15.452   57.818   10.523   46.261   15.145   68.604   14.632  115.308   25.026  149.348   18.131 -34.03962 30.90318 
1 1 1  -31   16   43 o   59.332   17.677   7.4924   9.7340   11.135   13.976   4.0608   13.565   63.333   25.844   55.332   24.124 8.000946 35.35307 
1 1 1  -31   16   44 o   54.134   16.070  -2.4804   9.8154 -26.8243   14.393   18.685   13.420   37.064   18.428   71.204   26.333 -34.13945 32.14069 
1 1 1  -31   16   45 o  128.023   17.054   58.558   10.991   77.050   18.705   48.806   13.583  140.642   25.553  115.404   22.591 25.23747 34.10748 
1 1 1  -31   16   46 o   91.306   18.871   35.688   11.027   20.800   17.028   46.441   14.472   70.617   28.635  111.995   24.587 -41.37827 37.74256 
1 1 1  -31   16   47 o   36.594   12.720 -17.6310   8.5764 -25.7304   11.615  -7.9212   12.717   31.481   15.788   41.707   19.948 -10.22587 25.44015 
1 1 1  -31   17    1 o  234.335   6.6552  150.570   8.3592  146.378   12.547  153.916   11.209  231.203   10.043  237.467   8.7355 -6.263519 13.31030 
1 1 1  -31   17    2 o  164.158   8.6392   74.156   7.6531   79.746   11.028   68.964   10.629  170.175   11.993  158.141   12.438 12.03430 17.27842 
1 1 1  -31   17    3 f  239.674   7.2991  151.181   8.9730  177.140   15.831  138.895   10.891  253.811   11.543  225.537   8.9367 28.27437 14.59813 
1 1 1  -31   17    4 o  146.571   9.1749   55.070   6.9727   76.081   12.133   44.709   8.5200  165.796   13.543  127.346   12.381 38.44973 18.34974 
1 1 1  -31   17    5 o   66.992   15.087   12.017   6.1368   17.048   9.7319   8.6958   7.9069   76.042   22.261   57.943   20.370 18.09814 30.17460 
1 1 1  -31   17    6 o  294.977   6.4864  239.071   10.265  224.009   15.152  251.847   13.955  286.109   9.8006  303.844   8.4994 -17.73492 12.97273 
1 1 1  -31   17    7 o  202.115   7.0608  112.403   7.6109  108.163   11.619  115.591   10.073  198.523   10.831  205.707   9.0619 -7.183075 14.12163 
1 1 1  -31   17    8 o  248.710   6.6959  170.483   8.9154  156.646   13.192  182.114   12.096  239.105   10.210  258.314   8.6654 -19.20825 13.39190 
1 1 1  -31   17    9 o  167.196   8.1022   77.771   7.1795   71.663   11.033   82.256   9.4551  161.108   12.674  173.283   10.098 -12.17543 16.20447 
1 1 1  -31   17   10 o  194.581   7.2227  103.368   7.5306  106.751   11.492  100.822   9.9696  197.203   10.784  191.959   9.6113 5.243851 14.44548 
1 1 1  -31   17   11 o  200.185   7.2298  109.604   7.7072  111.263   11.998  108.439   10.056  201.236   11.034  199.134   9.3456 2.102341 14.45966 
1 1 1  -31   17   12 f   94.061   13.068   24.636   6.4606   32.457   10.123   19.262   8.3920  107.332   17.454   80.790   19.455 26.54152 26.13689 
1 1 1  -31   17   13 o  198.219   7.3162  107.689   7.7041  108.258   12.060  107.296   10.014  198.390   11.250  198.048   9.3571 0.3426666 14.63235 
1 1 1  -31   17   14 o  104.468   11.469   30.175   6.3848   33.200   10.061   28.135   8.2613  108.562   17.151  100.374   15.231 8.188110 22.93803 
1 1 1  -31   17   15 o   84.239   13.791   19.591   6.1722   30.056   9.9712   13.091   7.8587  101.430   18.887   67.048   20.100 34.38248 27.58199 
1 1 1  -31   17   16 o   79.512   18.342   16.775   7.4351   21.376   18.061   15.837   8.1584   85.885   30.723   73.140   20.046 12.74515 36.68482 
1 1 1  -31   17   17 o  114.885   19.047   38.978   10.919   47.050   19.844   35.473   13.077  121.323   30.346  108.447   23.026 12.87608 38.09339 
1 1 1  -31   17   18 o   60.251   18.092   2.4922   10.568  -8.4077   17.523   8.7230   13.248   55.739   25.578   64.763   25.593 -9.024078 36.18343 
1 1 1  -31   17   19 o  136.849   9.1903   51.814   6.7465   54.163   10.264   50.027   8.9518  139.374   13.629  134.324   12.333 5.049911 18.38051 
1 1 1  -31   17   20 o  142.918   8.6773   56.464   6.6204   58.091   10.243   55.296   8.6765  144.408   13.126  141.428   11.353 2.980164 17.35469 
1 1 1  -31   17   21 o  106.562   11.244   31.311   6.3911   37.792   10.047   26.906   8.2832  115.535   16.092   97.589   15.708 17.94568 22.48752 
1 1 1  -31   17   22 o  256.055   9.9224  180.423   13.729  180.423   13.729   0.0000   0.0000  256.055   9.9224  ?   ?       ?      ? 
1 1 1  -31   17   23 o  137.826   9.1470   52.598   6.6936   55.107   10.589   50.928   8.6384  140.179   13.980  135.473   11.800 4.706085 18.29407 
1 1 1  -31   17   24 f  129.369   10.226   48.479   6.8565   41.461   10.859   53.133   8.8421  120.481   16.679  138.258   11.835 -17.77715 20.45148 
1 1 1  -31   17   25 o  198.625   7.3184  107.269   7.7463  119.771   12.231   98.895   10.010  207.887   10.888  189.362   9.7824 18.52544 14.63678 
1 1 1  -31   17   26 o   50.060   13.765   2.9866   6.2165  -8.5880   9.8156   10.739   8.0329   38.968   18.305   61.152   20.564 -22.18402 27.53092 
1 1 1  -31   17   27 o  150.669   8.8524   65.448   6.8632   56.016   11.065   71.345   8.7497  140.667   14.557  160.670   10.078 -20.00322 17.70484 
1 1 1  -31   17   28 o   95.981   13.107   30.240   6.2532   18.216   10.249   37.371   7.8925   76.499   22.959  115.462   12.650 -38.96301 26.21351 
1 1 1  -31   17   29 o   50.217   14.146   4.3568   6.1195  -4.0138   10.541   8.6117   7.5155   44.388   20.166   56.046   19.843 -11.65717 28.29185 
1 1 1  -31   17   30 o   58.622   17.157   4.8944   6.8770   12.545   16.917   3.3797   7.5270   70.807   28.601   46.438   18.960 24.36909 34.31455 
1 1 1  -31   17   31 o   76.479   15.194   18.963   6.7564   12.929   10.589   23.107   8.7748   66.166   23.540   86.792   19.217 -20.62605 30.38770 
1 1 1  -31   17   32 o  163.393   10.171   76.235   8.8193   75.389   11.434   77.477   13.858  163.136   12.970  163.650   15.671 -0.5139618 20.34216 
1 1 1  -31   17   33 o  120.858   10.426   42.030   6.6607   41.982   10.536   42.062   8.5967  120.012   16.246  121.704   13.072 -1.692314 20.85226 
1 1 1  -31   17   34 o  101.060   12.742   27.735   6.5325   48.898   11.039   16.332   8.1035  129.841   15.734   72.278   20.047 57.56237 25.48407 
1 1 1  -31   17   35 o   61.478   15.608   10.150   6.4749   15.245   10.631   7.1451   8.1638   69.558   23.656   53.397   20.366 16.16182 31.21516 
1 1 1  -31   17   36 o   70.637   15.414   16.218   6.4841   14.207   10.218   17.574   8.3901   67.054   23.179   74.220   20.324 -7.166145 30.82717 
1 1 1  -31   17   37 o   74.968   15.388   17.353   6.5649   24.038   10.528   13.099   8.3977   85.437   22.494   64.499   21.003 20.93885 30.77522 
1 1 1  -31   17   38 o  114.146   11.854   39.682   6.8854   36.934   10.932   41.490   8.8647  108.520   19.352  119.773   13.697 -11.25305 23.70874 
1 1 1  -31   17   39 o   54.453   15.288   7.7476   6.7807   4.7172   10.704   9.7786   8.7631   51.808   21.987   57.099   21.247 -5.291573 30.57540 
1 1 1  -31   17   40 o   62.634   16.599   11.553   8.2107   18.825   11.142   2.9099   12.147   73.378   24.207   51.891   22.720 21.48725 33.19892 
1 1 1  -31   17   41 o  163.455   15.129   87.397   11.093   35.991   14.951  150.360   16.546   99.312   27.103  227.597   13.454 -128.2842 30.25850 
1 1 1  -31   17   42 o   45.634   15.092  -6.3343   9.1317  -5.3739   14.081  -7.0315   11.997   48.022   22.349   43.245   20.289 4.777050 30.18446 
1 1 1  -31   17   43 f   35.581   12.367 -14.0429   7.4811 -15.7748   13.441 -13.2655   9.0048   39.298   19.197   31.864   15.596 7.434458 24.73417 
1 1 1  -31   17   44 o   39.382   13.516  -9.4676   8.2243 -22.6577   17.041  -5.4628   9.3901   41.205   20.412   37.559   17.723 3.646343 27.03238 
1 1 1  -31   17   45 o   65.253   18.736   15.924   10.460   10.268   18.422   18.615   12.707   61.279   27.346   69.227   25.619 -7.947212 37.47219 
1 1 1  -31   17   46 o   42.396   14.209  -6.3156   8.9500   0.1273   11.835 -14.9234   13.679   45.654   20.976   39.139   19.171 6.514816 28.41743 
1 1 1  -31   18    1 o  210.035   7.5628  121.546   8.5179  140.273   12.158  103.491   11.938  226.207   9.9462  193.863   11.396 32.34422 15.12563 
1 1 1  -31   18    2 o  181.675   7.6766   89.835   7.4452   96.295   11.613   85.327   9.7011  186.979   11.494  176.371   10.179 10.60764 15.35326 
1 1 1  -31   18    3 o   84.380   14.534   21.106   6.4201   21.230   10.495   21.032   8.1160   84.055   22.611   84.705   18.269 -0.6499100 29.06898 
1 1 1  -31   18    4 o  105.843   17.280   31.594   9.8829   31.594   9.8829   0.0000   0.0000  105.843   17.280  ?   ?       ?      ? 
1 1 1  -31   18    5 o   94.346   13.110   26.240   6.4302   22.616   9.8851   28.898   8.4662   87.031   21.213  101.661   15.411 -14.63029 26.21999 
1 1 1  -31   18    6 o   77.499   22.108   17.896   9.7124   17.896   9.7124   0.0000   0.0000   77.499   22.108  ?   ?       ?      ? 
1 1 1  -31   18    7 o   50.881   13.912   1.0358   6.1620   12.072   9.3115  -7.5627   8.2192   65.789   22.141   35.973   16.850 29.81605 27.82338 
1 1 1  -31   18    8 o  171.354   7.8853   81.948   7.1899   71.485   10.668   90.658   9.7327  160.859   12.273  181.850   9.9045 -20.99129 15.77067 
1 1 1  -31   18    9 o  184.689   7.8101   95.590   7.6285   82.868   11.536  105.476   10.169  173.155   12.329  196.224   9.5907 -23.06900 15.62024 
1 1 1  -31   18   10 o  230.796   7.0847  145.977   8.7230  147.125   13.470  145.147   11.448  231.302   10.777  230.289   9.1993 1.012695 14.16937 
1 1 1  -31   18   11 o  238.344   6.9036  156.128   8.7660  153.551   13.516  157.999   11.517  236.337   10.583  240.352   8.8675 -4.015686 13.80717 
1 1 1  -31   18   12 o   48.862   14.502   1.5544   6.3981   4.5474   10.020  -0.5063   8.3139   54.116   21.958   43.608   18.950 10.50722 29.00463 
1 1 1  -31   18   13 o   72.684   15.272   15.331   6.3526   18.121   10.017   13.453   8.2164   77.636   22.544   67.731   20.609 9.904778 30.54418 
1 1 1  -31   18   14 o  222.455   8.9548  135.529   10.764   0.0000   0.0000  135.529   10.764  ?   ?   222.455   8.9548      ?      ? 
1 1 1  -31   18   15 o   58.126   17.444   4.7051   7.6067  -2.0282   19.723   5.8817   8.2445   63.486   28.316   52.766   20.380 10.72041 34.88730 
1 1 1  -31   18   16 o  108.804   18.613   39.921   11.571   20.687   18.782   51.689   14.691   84.221   31.151  133.386   20.382 -49.16502 37.22627 
1 1 1  -31   18   17 o   64.515   18.801   6.5127   10.897  -6.1779   19.162   12.579   13.248   59.501   27.093   69.529   26.074 -10.02809 37.60161 
1 1 1  -31   18   18 o   48.391   14.025   0.0433   6.2207   9.1282   9.6397  -6.4399   8.1433   60.235   22.309   36.547   17.004 23.68737 28.05090 
1 1 1  -31   18   19 o   83.639   13.992   20.503   6.1444   24.431   9.7220   17.890   7.9287   89.995   20.455   77.282   19.097 12.71259 27.98402 
1 1 1  -31   18   20 o   66.749   14.747   13.348   6.1468   8.0696   9.5700   17.055   8.0198   58.228   22.088   75.271   19.544 -17.04290 29.49358 
1 1 1  -31   18   21 o  121.408   10.256   40.552   6.6173   47.271   10.594   36.253   8.4738  129.211   15.172  113.605   13.804 15.60612 20.51210 
1 1 1  -31   18   22 o  106.677   12.090   33.108   6.5889   32.975   10.638   33.191   8.3926  104.910   19.482  108.443   14.322 -3.532829 24.18006 
1 1 1  -31   18   23 o  158.647   8.5845   71.024   7.1397   66.616   11.363   73.899   9.1777  153.861   13.667  163.434   10.392 -9.572266 17.16905 
1 1 1  -31   18   24 o   77.895   14.699   19.161   6.4478   13.699   9.9883   23.064   8.4426   68.054   22.931   87.736   18.396 -19.68214 29.39774 
1 1 1  -31   18   25 o   87.889   14.353   23.191   6.6157   26.771   10.282   20.662   8.6423   93.415   20.892   82.363   19.686 11.05231 28.70578 
1 1 1  -31   18   26 o  170.516   8.1631   82.568   7.3483   72.242   11.197   90.380   9.7387  160.301   12.927  180.730   9.9720 -20.42955 16.32612 
1 1 1  -31   18   27 o   63.631   14.787   12.066   6.2819   5.3444   9.8807   16.626   8.1385   53.772   21.810   73.490   19.972 -19.71739 29.57306 
1 1 1  -31   18   28 o   64.156   15.337   10.907   6.3551   18.162   10.304   6.4534   8.0734   75.794   23.083   52.519   20.200 23.27557 30.67334 
1 1 1  -31   18   29 o   61.628   15.155   9.9137   6.1421   16.182   10.060   6.1887   7.7552   71.809   22.952   51.447   19.795 20.36194 30.30941 
1 1 1  -31   18   30 o  130.854   10.354   48.802   7.0673   50.519   11.672   47.809   8.8803  131.676   16.404  130.031   12.638 1.645142 20.70785 
1 1 1  -31   18   31 o   84.355   17.894   22.674   7.7295   24.234   17.445   22.293   8.6221   83.853   30.173   84.856   19.246 -1.003174 35.78887 
1 1 1  -31   18   32 o   42.927   14.051 -13.2020   8.0472 -25.5681   10.612   3.5293   12.344   31.002   15.480   54.853   23.454 -23.85094 28.10162 
1 1 1  -31   18   33 o   80.234   17.546   20.139   8.3839   14.637   10.786   28.536   13.326   68.535   23.808   91.933   25.781 -23.39783 35.09291 
1 1 1  -31   18   34 o   56.406   14.463   3.0130   6.7248   19.630   10.640  -8.0405   8.6778   77.039   23.454   35.773   16.928 41.26647 28.92530 
1 1 1  -31   18   35 o   46.434   13.876   0.9293   6.5538  -9.0181   10.456   7.3664   8.4111   39.244   18.574   53.624   20.620 -14.38065 27.75194 
1 1 1  -31   18   36 o  102.136   13.680   33.692   7.0263   27.666   11.419   37.364   8.9137   91.001   23.162  113.272   14.563 -22.27086 27.35985 
1 1 1  -31   18   37 o   39.771   13.122  -6.0937   6.6371  -1.6298   10.898  -8.7259   8.3682   45.550   20.619   33.992   16.237 11.55756 26.24425 
1 1 1  -31   18   38 o   42.208   13.620  -5.0690   6.8881   3.6352   10.865 -10.9188   8.9069   50.703   21.848   33.714   16.270 16.98950 27.24059 
1 1 1  -31   18   39 o   56.460   16.951   3.1532   9.7032   14.664   13.759  -8.2365   13.686   67.377   26.243   45.542   21.462 21.83432 33.90113 
1 1 1  -31   18   40 o  107.490   17.397   39.922   10.479   56.306   15.179   25.000   14.485  132.719   21.165   82.261   27.615 50.45775 34.79308 
1 1 1  -31   18   41 o   67.391   18.379   15.156   9.7411   22.613   14.214   8.5518   13.376   76.480   27.266   58.302   24.652 18.17731 36.75813 
1 1 1  -31   18   42 o   52.865   14.153   6.8310   6.9189  -8.9590   11.081   16.921   8.8578   38.227   18.372   67.503   21.533 -29.27560 28.30542 
1 1 1  -31   18   43 o   60.521   17.303   10.470   10.248  -9.1824   17.198   21.291   12.761   47.927   22.995   73.114   25.860 -25.18705 34.60545 
1 1 1  -31   18   44 f   42.200   14.629 -15.8635   10.959 -22.3604   18.682 -12.4550   13.532   43.660   21.582   40.740   19.756 2.919868 29.25857 
1 1 1  -31   18   45 f   40.464   13.729  -9.1426   8.6779 -16.4306   11.857  -0.7342   12.735   35.226   17.371   45.702   21.264 -10.47663 27.45772 
1 1 1  -31   19    1 o   59.788   15.489   8.9861   6.5932   10.926   9.2140   6.9504   9.4384   63.093   22.000   56.483   21.809 6.610607 30.97762 
1 1 1  -31   19    2 o  172.529   8.4045   81.903   7.6143   84.707   12.399   80.205   9.6479  174.410   13.156  170.648   10.463 3.762741 16.80908 
1 1 1  -31   19    3 o   57.488   14.333   7.7163   6.2186  -1.1921   9.5666   14.235   8.1833   45.712   20.085   69.263   20.453 -23.55043 28.66553 
1 1 1  -31   19    4 o   80.935   14.294   18.876   6.3866   27.786   9.7647   12.215   8.4429   96.814   19.342   65.056   21.051 31.75743 28.58752 
1 1 1  -31   19    5 o   86.017   14.329   22.172   6.4739   22.231   10.118   22.130   8.4240   85.593   21.812   86.441   18.587 -0.8475647 28.65767 
1 1 1  -31   19    6 o   51.947   14.703   4.5489   6.3537   1.1559   9.7534   7.0503   8.3743   48.896   20.876   54.997   20.710 -6.100880 29.40563 
1 1 1  -31   19    7 o   58.624   13.682   4.6119   6.1977   19.699   9.4971  -6.5798   8.1796   80.679   21.424   36.568   17.023 44.11057 27.36399 
1 1 1  -31   19    8 o  149.471   8.7917   61.563   7.0632   66.691   10.680   57.576   9.4163  154.851   12.764  144.092   12.094 10.75943 17.58339 
1 1 1  -31   19    9 o   87.424   14.275   23.191   6.5767   20.982   10.020   24.863   8.7172   83.034   21.986   91.815   18.213 -8.780945 28.54983 
1 1 1  -31   19   10 o  153.729   8.9411   64.964   7.3107   69.977   11.562   61.625   9.4366  158.299   13.517  149.158   11.708 9.140808 17.88227 
1 1 1  -31   19   11 o  195.653   7.5358  105.854   7.8829  103.761   11.981  107.452   10.468  193.632   11.450  197.674   9.8000 -4.042221 15.07158 
1 1 1  -31   19   12 o  112.763   10.847   35.101   6.4926   39.912   10.415   32.044   8.3034  118.661   16.243  106.866   14.379 11.79492 21.69309 
1 1 1  -31   19   13 o  103.812   12.489   31.763   6.6197   28.805   10.433   33.757   8.5648   97.982   20.368  109.642   14.456 -11.66002 24.97713 
1 1 1  -31   19   14 o  135.593   18.284   50.983   12.020   76.374   22.692   41.081   14.171  155.413   28.053  115.774   23.456 39.63884 36.56707 
1 1 1  -31   19   15 o   93.967   19.800   30.155   11.883   11.329   20.546   39.617   14.566   75.035   31.052  112.900   24.573 -37.86481 39.59914 
1 1 1  -31   19   16 o   56.264   16.635   2.7580   8.3988  -1.3245   10.807   8.9842   13.346   48.096   21.231   64.431   25.615 -16.33470 33.27041 
1 1 1  -31   19   17 o  166.548   8.4807   76.078   7.5649   85.868   11.688   69.019   9.9241  175.497   12.324  157.599   11.653 17.89848 16.96146 
1 1 1  -31   19   18 o   55.664   15.076   6.6702   6.2242   9.9975   10.049   4.5991   7.9282   61.713   22.793   49.615   19.737 12.09760 30.15129 
1 1 1  -31   19   19 o   45.388   13.921   0.2620   6.2439  -1.2474   9.9285   1.2495   8.0308   46.048   20.337   44.728   19.016 1.319958 27.84257 
1 1 1  -31   19   20 o  151.059   8.6872   62.263   7.0084   76.096   10.880   52.452   9.1626  165.107   12.195  137.011   12.376 28.09647 17.37445 
1 1 1  -31   19   21 o  207.056   10.949  118.973   12.250  118.973   12.250   0.0000   0.0000  207.056   10.949  ?   ?       ?      ? 
1 1 1  -31   19   22 o   55.102   14.906   5.8328   6.2262   11.935   9.9884   1.9550   7.9624   64.733   22.880   45.471   19.112 19.26109 29.81241 
1 1 1  -31   19   23 o  160.730   8.7317   72.683   7.4323   70.800   11.633   73.982   9.6612  158.354   13.595  163.107   10.962 -4.753204 17.46341 
1 1 1  -31   19   24 o  117.746   11.074   40.107   6.8689   38.150   10.813   41.431   8.8940  114.469   17.481  121.023   13.600 -6.553505 22.14819 
1 1 1  -31   19   25 o   42.825   13.447  -2.6133   6.2563   2.4055   9.5453  -6.3931   8.2837   49.104   20.797   36.545   17.052 12.55964 26.89417 
1 1 1  -31   19   26 o   59.893   14.766   9.9276   6.4508   1.4866   10.281   15.408   8.2845   49.297   21.247   70.489   20.512 -21.19152 29.53270 
1 1 1  -31   19   27 o   53.643   15.007   6.2129   6.5278   3.3558   9.9010   8.4097   8.6819   50.749   21.320   56.538   21.126 -5.789833 30.01424 
1 1 1  -31   19   28 o   84.121   14.107   23.110   6.8130   11.903   10.354   31.669   9.0479   63.889   23.208  104.353   16.045 -40.46428 28.21467 
1 1 1  -31   19   29 o  111.048   11.889   35.030   6.8428   46.091   10.953   27.948   8.7637  125.823   16.109   96.273   17.490 29.54984 23.77826 
1 1 1  -31   19   30 o   77.595   15.641   19.455   6.8833   17.346   10.703   20.943   8.9885   73.565   23.691   81.626   20.427 -8.060951 31.28193 
1 1 1  -31   19   31 o   67.977   16.241   14.592   7.0510   12.627   11.554   15.759   8.9004   65.496   24.392   70.457   21.452 -4.961914 32.48276 
1 1 1  -31   19   32 o   62.730   18.047   2.1372   7.9531   26.802   18.614  -3.3710   8.7965   85.260   31.096   40.201   18.325 45.05862 36.09335 
1 1 1  -31   19   33 o   61.510   17.215   10.086   8.4541   10.571   11.199   9.4437   12.890   61.511   23.754   61.508   24.924 0.2902985E-02 34.43056 
1 1 1  -31   19   34 o   73.553   14.751   15.868   8.3901   33.499   11.062  -8.0113   12.874  102.339   20.714   44.767   21.008 57.57148 29.50267 
1 1 1  -31   19   35 o   48.666   14.762   2.7328   7.0908  -1.4388   10.756   5.9390   9.4299   45.484   20.546   51.849   21.201 -6.364902 29.52329 
1 1 1  -31   19   36 o   71.448   15.895   15.400   7.4924   28.776   11.593   5.8059   9.8183   90.973   23.438   51.924   21.475 39.04850 31.78914 
1 1 1  -31   19   37 o   41.007   13.980 -14.8691   9.1529  -7.5135   13.651 -20.8761   12.337   45.924   21.577   36.091   17.783 9.832867 27.96028 
1 1 1  -31   19   38 o   64.083   18.008   10.868   9.5942   18.982   14.183   4.0225   13.027   73.546   27.095   54.620   23.728 18.92607 36.01587 
1 1 1  -31   19   39 o   55.258   17.064   4.7583   9.6397   5.7523   13.661   3.7725   13.605   56.248   24.367   54.268   23.895 1.979855 34.12815 
1 1 1  -31   19   40 o   70.699   17.178   15.561   7.8917   34.189   14.245   7.3132   9.4791   90.093   27.075   51.305   21.149 38.78738 34.35588 
1 1 1  -31   19   41 o   44.220   14.128   0.3393   7.0850   0.5182   11.128   0.2172   9.1879   45.899   20.801   42.540   19.123 3.359627 28.25559 
1 1 1  -31   19   42 o   54.596   17.432  -1.9539   11.027   19.016   17.826 -14.9504   14.034   68.511   28.685   40.681   19.816 27.82957 34.86401 
1 1 1  -31   19   43 o   54.176   17.576   4.3604   10.792   14.883   19.197  -0.5014   13.049   61.752   27.710   46.599   21.629 15.15312 35.15178 
1 1 1  -31   20    1 o   42.828   13.372  -1.7618   6.0784   0.6288   8.9377  -3.8190   8.2909   46.204   19.862   39.451   17.908 6.752785 26.74330 
1 1 1  -31   20    2 o   71.181   15.035   14.309   6.3689   21.401   9.8401   9.1961   8.3549   83.672   21.612   58.690   20.907 24.98220 30.06914 
1 1 1  -31   20    3 o   52.668   14.702   4.8994   6.1926   8.3707   9.4332   2.2704   8.2092   58.547   21.993   46.788   19.517 11.75877 29.40422 
1 1 1  -31   20    4 o   84.902   13.370   20.562   6.3395   33.147   9.5858   10.779   8.4517  107.926   16.437   61.877   21.092 46.04897 26.74035 
1 1 1  -31   20    5 o  113.081   11.452   35.573   6.5783   51.401   10.235   24.432   8.5868  135.336   13.995   90.826   18.131 44.51066 22.90399 
1 1 1  -31   20    6 o   68.844   15.183   14.260   6.3916   10.445   9.7879   17.095   8.4395   62.489   22.586   75.198   20.297 -12.70975 30.36572 
1 1 1  -31   20    7 o   86.767   13.582   23.735   6.4948   12.407   9.7823   32.664   8.6852   65.957   22.687  107.577   14.941 -41.62015 27.16467 
1 1 1  -31   20    8 o  116.542   11.166   38.496   6.9164   38.827   10.800   38.266   9.0052  116.459   17.163  116.625   14.289 -0.1663742 22.33241 
1 1 1  -31   20    9 o   74.757   15.094   16.685   6.4158   20.495   9.6491   13.665   8.5898   81.786   21.536   67.729   21.153 14.05682 30.18733 
1 1 1  -31   20   10 o  197.161   9.8354  107.152   10.478   0.0000   0.0000  107.152   10.478  ?   ?   197.161   9.8354      ?      ? 
1 1 1  -31   20   11 o   50.383   14.639   3.6007   6.4375   0.8777   9.9104   5.5884   8.4670   48.506   20.884   52.260   20.521 -3.754066 29.27851 
1 1 1  -31   20   12 o   45.250   15.298  -7.2992   7.9247 -31.3739   21.934  -3.6847   8.4988   50.476   24.628   40.023   18.154 10.45354 30.59584 
1 1 1  -31   20   13 o   70.879   19.945   11.470   12.140  -5.7590   21.876   19.137   14.594   62.774   28.723   78.984   27.679 -16.21062 39.88912 
1 1 1  -31   20   14 o   61.684   19.062   2.3965   11.126   3.9459   20.475   1.7473   13.254   67.723   29.579   55.644   24.053 12.07946 38.12424 
1 1 1  -31   20   15 o   74.597   12.542   16.047   6.7220  -4.9056   10.207   32.093   8.9325   43.038   19.665  106.157   15.572 -63.11839 25.08384 
1 1 1  -31   20   16 o   68.010   15.130   14.019   6.3551   10.071   9.6416   17.052   8.4507   61.297   22.376   74.722   20.370 -13.42500 30.25937 
1 1 1  -31   20   17 o  181.796   8.1052   91.961   7.8241   92.002   12.242   91.933   10.173  181.334   12.493  182.259   10.330 -0.9254303 16.21049 
1 1 1  -31   20   18 o  151.200   8.9359   64.519   7.2133   60.659   10.869   67.558   9.6430  146.645   13.716  155.755   11.457 -9.109802 17.87179 
1 1 1  -31   20   19 o  132.259   10.104   49.625   7.1543   49.396   10.848   49.801   9.5174  131.550   15.261  132.967   13.246 -1.417297 20.20778 
1 1 1  -31   20   20 o   42.037   13.433  -3.0622   6.4370  -4.1933   10.036  -2.2718   8.3898   43.054   19.605   41.020   18.369 2.034264 26.86619 
1 1 1  -31   20   21 o   68.237   15.785   14.082   6.6298   15.032   10.330   13.416   8.6451   70.016   23.319   66.457   21.280 3.558151 31.56956 
1 1 1  -31   20   22 o   47.915   14.390   1.5005   6.4446   5.0131   10.023  -0.9756   8.4149   53.388   21.847   42.442   18.735 10.94611 28.77990 
1 1 1  -31   20   23 o   83.535   14.720   21.689   6.5736   23.084   10.030   20.639   8.7036   85.492   21.680   81.579   19.917 3.912773 29.43972 
1 1 1  -31   20   24 o   95.184   13.546   29.702   6.8194   15.136   10.174   41.585   9.1892   69.691   23.139  120.677   14.092 -50.98646 27.09194 
1 1 1  -31   20   25 o   39.067   12.746  -5.8641   6.4205 -11.2050   9.5980  -1.5384   8.6377   36.032   17.259   42.103   18.762 -6.071362 25.49254 
1 1 1  -31   20   26 o  168.975   8.8052   82.878   7.7745   69.239   11.949   92.891   10.238  155.448   14.225  182.501   10.381 -27.05373 17.61032 
1 1 1  -31   20   27 o  103.948   12.993   31.094   6.9273   47.961   10.947   19.829   8.9462  128.576   15.756   79.320   20.665 49.25565 25.98659 
1 1 1  -31   20   28 o   83.221   14.109   23.053   7.0029   9.1865   10.800   33.113   9.1989   59.830   23.265  106.612   15.968 -46.78168 28.21755 
1 1 1  -31   20   29 o   54.955   15.292   6.8194   6.9808   0.5636   10.979   11.065   9.0447   48.898   21.500   61.013   21.751 -12.11565 30.58303 
1 1 1  -31   20   30 o   89.985   14.751   27.017   7.2339   18.779   11.366   32.627   9.3789   74.985   24.435  104.985   16.532 -30.00056 29.50247 
1 1 1  -31   20   31 o  118.493   11.481   40.606   7.2028   45.871   11.634   37.333   9.1723  123.852   17.383  113.134   15.004 10.71790 22.96262 
1 1 1  -31   20   32 o   73.937   16.366   17.784   7.1109   21.301   11.534   15.627   9.0318   78.728   24.499   69.147   21.706 9.581215 32.73168 
1 1 1  -31   20   33 f   61.374   18.066   6.7839   8.2269   21.043   18.165   3.1045   9.2275   75.135   29.880   47.613   20.316 27.52277 36.13266 
1 1 1  -31   20   34 o   38.636   13.232 -15.0284   8.6352  -9.3045   11.568 -22.2320   12.977   40.678   19.335   36.595   18.070 4.082996 26.46438 
1 1 1  -31   20   35 o  106.916   26.299   40.923   15.089   40.923   15.089   0.0000   0.0000  106.916   26.299  ?   ?       ?      ? 
1 1 1  -31   20   36 o   64.580   18.573   11.732   10.263   8.1194   14.587   15.273   14.442   60.528   25.677   68.633   26.844 -8.105072 37.14653 
1 1 1  -31   20   37 o   52.276   16.433   1.0879   9.6381  -6.8514   14.483   7.3986   12.912   47.284   22.219   57.267   24.218 -9.983086 32.86597 
1 1 1  -31   20   38 o   36.246   12.694 -16.8830   7.7977  -8.9054   14.071 -20.4188   9.3676   43.459   20.838   29.033   14.504 14.42547 25.38836 
1 1 1  -31   20   39 f   78.491   16.311   23.971   7.5311   19.932   11.756   26.782   9.8080   70.473   24.832   86.510   21.157 -16.03749 32.62236 
1 1 1  -31   20   40 o   44.939   14.164  -1.1832   7.5037 -11.3018   11.278   6.8541   10.051   37.863   18.282   52.014   21.638 -14.15186 28.32729 
1 1 1  -31   20   41 f   51.933   17.009  -7.7651   11.417   21.014   18.469 -25.5631   14.524   67.484   28.767   36.383   18.157 31.10089 34.01824 
1 1 1  -31   21    1 o  115.947   10.925   38.241   6.8188   38.581   10.103   37.957   9.2412  116.168   16.094  115.725   14.778 0.4432297 21.84978 
1 1 1  -31   21    2 o  115.397   10.873   37.794   6.7451   38.778   10.108   37.004   9.0561  116.484   16.060  114.310   14.661 2.173309 21.74532 
1 1 1  -31   21    3 o   58.985   14.795   9.1471   6.1565   4.5845   8.9622   13.224   8.4716   51.455   20.806   66.514   21.041 -15.05855 29.59092 
1 1 1  -31   21    4 o   74.955   15.082   17.146   6.3651   18.147   9.6144   16.365   8.4929   76.684   22.034   73.225   20.599 3.459396 30.16315 
1 1 1  -31   21    5 o   37.122   12.298  -7.8492   6.1507  -4.8132   9.2448 -10.2604   8.2388   40.774   18.662   33.471   16.021 7.302967 24.59602 
1 1 1  -31   21    6 f  161.185   8.6742   72.176   7.4898   75.466   11.465   69.727   9.8922  164.080   12.931  158.291   11.565 5.789078 17.34847 
1 1 1  -31   21    7 o  104.918   12.215   32.465   6.6265   29.922   10.125   34.371   8.7643   99.698   19.492  110.137   14.726 -10.43893 24.42957 
1 1 1  -31   21    8 o   67.038   15.431   13.392   6.4070   13.294   9.3170   13.480   8.8249   66.949   22.139   67.127   21.501 -0.1779633 30.86119 
1 1 1  -31   21    9 o   64.733   15.258   12.065   6.2558   14.605   9.3576   10.014   8.4118   69.512   22.127   59.954   21.014 9.557476 30.51570 
1 1 1  -31   21   10 o  127.738   10.454   45.585   7.1559   52.106   11.018   40.827   9.4111  135.406   15.058  120.071   14.505 15.33498 20.90776 
1 1 1  -31   21   11 o   57.928   18.699 -21.5851   12.329   16.624   22.703 -37.5676   14.683   80.219   32.860   35.637   17.855 44.58242 37.39714 
1 1 1  -31   21   12 o   95.265   21.677   31.719   12.834   22.950   22.838   35.766   15.515   86.154   33.740  104.376   27.224 -18.22192 43.35374 
1 1 1  -31   21   13 o   41.009   13.974 -14.2248   8.2349 -15.6061   9.9367 -11.1959   14.714   34.419   16.745   47.600   22.376 -13.18086 27.94793 
1 1 1  -31   21   14 o   96.237   13.416   28.081   6.7554   24.595   10.181   30.823   9.0296   88.935   21.436  103.538   16.139 -14.60333 26.83258 
1 1 1  -31   21   15 f   69.331   16.016   14.699   6.9544   12.567   10.201   16.550   9.5054   65.670   23.133   72.993   22.157 -7.322906 32.03194 
1 1 1  -31   21   16 o   77.820   15.232   19.486   6.8717   13.005   10.571   24.229   9.0427   66.559   23.537   89.080   19.340 -22.52061 30.46404 
1 1 1  -31   21   17 o   83.057   15.639   21.836   7.1285   21.005   10.694   22.499   9.5627   81.180   23.212   84.935   20.963 -3.754868 31.27724 
1 1 1  -31   21   18 o   94.583   14.199   27.897   7.0629   23.469   10.915   31.086   9.2636   85.663   23.067  103.502   16.563 -17.83816 28.39742 
1 1 1  -31   21   19 o   58.220   15.168   8.9735   6.4180   5.7224   9.3063   11.922   8.8628   53.130   21.300   63.310   21.599 -10.17932 30.33523 
1 1 1  -31   21   20 o   81.253   14.973   20.724   6.6121   21.922   9.9056   19.760   8.8799   83.092   21.792   79.415   20.539 3.676331 29.94581 
1 1 1  -31   21   21 o  175.116   8.2969   86.042   7.8183   87.988   11.650   84.448   10.546  176.635   12.205  173.598   11.242 3.036804 16.59389 
1 1 1  -31   21   22 f   61.453   15.248   9.1853   6.6627   18.371   10.265   2.4988   8.7581   75.583   23.044   47.323   19.975 28.26000 30.49632 
1 1 1  -31   21   23 f  123.108   11.378   42.447   7.4201   55.748   11.824   33.806   9.5304  138.584   15.789  107.632   16.386 30.95281 22.75557 
1 1 1  -31   21   24 f   49.159   14.534   2.3367   6.8154  -4.6463   10.491   7.4363   8.9650   43.250   19.827   55.069   21.257 -11.81937 29.06795 
1 1 1  -31   21   25 o   72.714   15.734   16.720   6.7640   19.318   10.020   14.544   9.1677   77.353   22.573   68.075   21.926 9.278343 31.46893 
1 1 1  -31   21   26 o   93.802   15.013   27.924   7.3642   29.575   11.343   26.722   9.6824   95.458   22.378   92.146   20.018 3.311691 30.02515 
1 1 1  -31   21   27 o   55.275   15.444   6.5624   6.8200   11.572   10.659   3.0897   8.8744   62.690   23.412   47.860   20.150 14.82932 30.88853 
1 1 1  -31   21   28 f   40.014   13.106  -5.8980   6.6670  -1.9188   10.153  -8.9143   8.8397   44.579   20.066   35.448   16.864 9.131023 26.21144 
1 1 1  -31   21   29 o   42.330   13.744  -3.7162   6.9371  -4.5871   11.478  -3.2149   8.7075   44.685   20.578   39.976   18.226 4.708557 27.48886 
1 1 1  -31   21   30 o   91.635   14.141   25.531   7.3273   44.980   11.426   11.947   9.5494  121.611   17.388   61.660   22.305 59.95100 28.28162 
1 1 1  -31   21   31 o   80.509   15.893   23.475   7.6420   14.386   12.142   29.438   9.8341   65.792   24.899   95.225   19.759 -29.43290 31.78628 
1 1 1  -31   21   32 f   55.509   15.150   6.0814   7.5356  -7.0572   11.475   16.044   9.9921   42.166   19.802   68.852   22.934 -26.68639 30.30007 
1 1 1  -31   21   33 o   62.498   17.637   6.9901   10.461 -10.8671   15.395   22.304   14.257   46.805   22.264   78.192   27.360 -31.38706 35.27408 
1 1 1  -31   21   34 o   78.012   26.797   21.977   13.646   0.0000   0.0000   21.977   13.646  ?   ?    78.012   26.797      ?      ? 
1 1 1  -31   21   35 o   37.053   18.462 -28.8739   14.764 -28.8739   14.764   0.0000   0.0000   37.053   18.462  ?   ?       ?      ? 
1 1 1  -31   21   36 o   74.548   19.617   24.537   10.627   28.739   15.374   20.691   14.706   79.619   28.360   69.477   27.111 10.14228 39.23422 
1 1 1  -31   21   37 o   67.216   16.513   17.548   7.6663   12.160   12.117   21.145   9.8998   59.278   24.112   75.153   22.567 -15.87490 33.02503 
1 1 1  -31   21   38 o   87.707   15.956   28.758   7.7610   22.591   12.095   33.076   10.119   76.061   25.227   99.353   19.545 -23.29128 31.91261 
1 1 1  -31   21   39 o   90.300   16.352   32.001   8.2287   24.982   12.491   37.383   10.937   77.211   25.639  103.388   20.301 -26.17654 32.70335 
1 1 1  -31   21   40 o   72.133   19.844   19.706   12.100   48.333   19.555   1.9475   15.402   94.075   32.083   50.192   23.364 43.88271 39.68872 
1 1 1  -31   22    1 o  126.664   10.662   46.208   7.2216   39.277   10.277   52.969   10.150  116.616   16.308  136.711   13.740 -20.09502 21.32478 
1 1 1  -31   22    2 o   62.838   15.363   11.102   6.4054   14.836   9.5513   8.0505   8.6350   69.496   22.380   56.180   21.054 13.31606 30.72658 
1 1 1  -31   22    3 o   95.278   13.422   27.479   6.7327   24.663   9.9851   29.826   9.1171   89.038   21.080  101.518   16.620 -12.47945 26.84352 
1 1 1  -31   22    4 f   71.842   13.769   14.675   6.3166   26.989   9.1825   3.6132   8.7028   94.506   18.643   49.177   20.268 45.32908 27.53801 
1 1 1  -31   22    5 o  106.815   12.214   33.253   6.8735   37.840   10.247   29.500   9.2676  114.359   16.582   99.272   17.937 15.08745 24.42732 
1 1 1  -31   22    6 o  128.183   13.541   46.500   9.3795   0.0000   0.0000   46.500   9.3795  ?   ?   128.183   13.541      ?      ? 
1 1 1  -31   22    7 o   52.971   13.832   3.0993   6.4047  -9.3069   9.1892   14.819   8.9315   36.573   17.340   69.370   21.554 -32.79684 27.66310 
1 1 1  -31   22    8 o   70.280   14.259   15.033   6.4432   4.7949   9.5088   23.724   8.7613   52.290   21.325   88.270   18.936 -35.97987 28.51852 
1 1 1  -31   22    9 o   56.607   18.378  -7.2807   12.484   2.8739   20.023 -13.7387   15.968   65.150   28.822   48.064   22.808 17.08587 36.75504 
1 1 1  -31   22   10 o  110.569   21.287   41.151   12.673   48.446   21.163   37.072   15.824  116.085   32.468  105.054   27.539 11.03090 42.57380 
1 1 1  -31   22   11 o  132.057   20.246   53.608   13.619   82.230   23.591   39.302   16.678  156.579   28.948  107.535   28.313 49.04400 40.49179 
1 1 1  -31   22   12 o   87.976   14.703   23.962   6.8872   27.845   10.154   20.654   9.3726   94.834   20.419   81.119   21.161 13.71472 29.40602 
1 1 1  -31   22   13 o   58.525   15.611   8.9821   6.7141   7.3880   10.604   10.049   8.6746   57.439   22.833   59.611   21.296 -2.172241 31.22278 
1 1 1  -31   22   14 o   56.970   15.149   6.1881   6.8027   15.232   10.265  -0.8934   9.0836   69.961   23.243   43.979   19.437 25.98243 30.29893 
1 1 1  -31   22   15 o   61.958   15.780   10.804   7.0235   5.6581   10.559   14.887   9.4063   54.824   22.428   69.092   22.205 -14.26799 31.56055 
1 1 1  -31   22   16 o   45.751   14.186  -0.4243   6.8409  -4.8255   10.415   2.9157   9.0726   42.960   19.716   48.543   20.402 -5.582157 28.37182 
1 1 1  -31   22   17 o   99.838   13.762   30.954   7.2039   23.391   10.351   38.058   10.032   85.400   22.219  114.275   16.246 -28.87460 27.52470 
1 1 1  -31   22   18 o   69.937   15.966   15.272   6.8248   16.699   10.376   14.185   9.0604   72.376   23.329   67.499   21.803 4.877060 31.93137 
1 1 1  -31   22   19 o   62.677   14.872   11.147   6.4880   3.6867   9.4250   17.867   8.9448   50.199   20.924   75.155   21.139 -24.95611 29.74335 
1 1 1  -31   22   20 o   99.789   13.459   29.942   7.0896   35.473   10.508   25.321   9.6049  109.549   17.751   90.030   20.236 19.51877 26.91832 
1 1 1  -31   22   21 o   56.213   15.570   6.3750   6.9099   12.579   10.928   2.2426   8.9191   65.205   23.819   47.221   20.057 17.98393 31.13909 
1 1 1  -31   22   22 o   52.710   15.363   4.4974   6.9950   8.3262   11.002   1.8997   9.0624   58.529   23.261   46.891   20.074 11.63839 30.72534 
1 1 1  -31   22   23 o  111.151   13.534   39.306   7.5490   31.841   11.901   44.333   9.7651   98.649   22.784  123.653   14.614 -25.00439 27.06870 
1 1 1  -31   22   24 o   44.465   14.212  -2.2809   7.2157  -2.3592   11.072  -2.2231   9.5133   46.003   20.807   42.928   19.363 3.074493 28.42307 
1 1 1  -31   22   25 o   50.175   14.405  -1.1560   7.0914   13.700   10.587 -13.2457   9.5504   66.072   23.534   34.277   16.616 31.79563 28.80901 
1 1 1  -31   22   26 o   53.325   15.080   4.0994   7.0865   13.297   10.480  -3.6495   9.6192   65.037   23.388   41.613   19.043 23.42435 30.16023 
1 1 1  -31   22   27 o   69.964   14.406   13.324   6.8828   29.448   10.468   1.0450   9.1352   94.787   20.991   45.140   19.735 49.64696 28.81120 
1 1 1  -31   22   28 o   63.026   15.809   10.400   7.1812   22.282   11.421   2.6315   9.2350   79.129   24.339   46.923   20.181 32.20580 31.61744 
1 1 1  -31   22   29 o   41.840   19.706  -7.5272   11.511  -7.5272   11.511   0.0000   0.0000   41.840   19.706  ?   ?       ?      ? 
1 1 1  -31   22   30 o   28.992   14.641 -32.0639   10.953 -32.0639   10.953   0.0000   0.0000   28.992   14.641  ?   ?       ?      ? 
1 1 1  -31   22   31 o  126.256   16.412   53.583   10.776   43.559   15.593   62.748   14.909  110.638   26.443  141.875   19.448 -31.23694 32.82411 
1 1 1  -31   22   32 o  129.350   16.854   56.098   11.467   67.005   17.041   47.072   15.503  143.197   22.022  115.503   25.518 27.69405 33.70722 
1 1 1  -31   22   33 o   48.432   15.736  -6.7869   9.9156 -20.8063   13.466   9.8153   14.654   37.385   18.450   59.478   25.496 -22.09346 31.47197 
1 1 1  -31   22   34 o   41.609   13.762  -8.5589   7.5671   6.9721   12.320 -17.9677   9.5891   52.800   23.006   30.418   15.110 22.38130 27.52408 
1 1 1  -31   22   35 o   43.320   15.069 -12.5805   9.0151  -3.3333   19.720 -15.0239   10.136   53.276   25.300   33.365   16.376 19.91064 30.13708 
1 1 1  -31   22   36 o   69.184   18.402   16.370   9.6661   7.1213   12.470   30.293   15.300   54.439   23.432   83.928   28.380 -29.48938 36.80324 
1 1 1  -31   22   37 o   41.069   14.035  -9.6917   9.0533 -11.5048   11.500  -6.7365   14.682   37.353   18.136   44.784   21.424 -7.430668 28.06933 
1 1 1  -31   23    1 o   65.399   14.936   12.396   6.6356   4.1453   9.5340   20.148   9.2411   51.023   21.137   79.774   21.109 -28.75083 29.87292 
1 1 1  -31   23    2 o   76.569   15.593   18.769   6.8587   16.169   9.9119   21.158   9.5004   71.462   22.776   81.676   21.304 -10.21346 31.18627 
1 1 1  -31   23    3 o   51.311   14.683   3.2768   6.6718   10.313   9.7552  -2.9066   9.1451   60.766   22.455   41.857   18.923 18.90910 29.36513 
1 1 1  -31   23    4 o  135.829   10.064   52.783   7.3417   60.545   10.586   45.590   10.191  145.864   13.430  125.793   14.993 20.07121 20.12828 
1 1 1  -31   23    5 o   59.182   14.698   7.8338   6.9560  -4.6166   10.360   18.053   9.3861   43.012   19.712   75.352   21.806 -32.34021 29.39514 
1 1 1  -31   23    6 o   63.707   15.843   11.752   6.7534   14.824   10.247   9.3931   8.9799   68.967   23.226   58.447   21.555 10.51966 31.68679 
1 1 1  -31   23    7 o   43.008   15.101 -34.2806   12.903 -32.9730   20.525 -35.1351   16.592   46.559   22.940   39.457   19.646 7.102177 30.20249 
1 1 1  -31   23    8 o   51.379   17.453 -15.8122   12.873 -15.3536   23.043 -16.0203   15.522   57.178   27.210   45.580   21.863 11.59839 34.90521 
1 1 1  -31   23    9 o   98.073   22.944   35.743   13.989   34.302   23.518   36.532   17.403   94.812   34.896  101.333   29.799 -6.521111 45.88776 
1 1 1  -31   23   10 o   42.265   13.418  -4.4142   6.7172   2.8108   9.4267 -11.8671   9.5742   49.022   20.710   35.508   17.068 13.51474 26.83701 
1 1 1  -31   23   11 o   66.354   14.823   12.148   6.6452   22.258   9.7161   3.2632   9.1087   83.683   21.402   49.025   20.514 34.65758 29.64536 
1 1 1  -31   23   12 o   52.084   14.756   4.3899   6.7154  -2.1345   9.7780   10.215   9.2389   44.056   19.772   60.111   21.910 -16.05494 29.51251 
1 1 1  -31   23   13 o   73.088   15.664   16.073   7.0766   24.686   10.555   9.0387   9.5381   87.774   22.229   58.401   22.076 29.37238 31.32882 
1 1 1  -31   23   14 o   66.606   14.980   12.964   6.7926   3.7262   9.8255   21.421   9.4009   50.947   21.311   82.266   21.058 -31.31893 29.95991 
1 1 1  -31   23   15 o   79.182   13.322   17.149   7.0076   36.636   10.407   0.9868   9.4783  111.536   17.268   46.827   20.291 64.70906 26.64412 
1 1 1  -31   23   16 o   55.323   15.618   5.4283   7.2297   12.131   10.963   0.2688   9.6177   64.448   23.807   46.199   20.222 18.24946 31.23621 
1 1 1  -31   23   17 o   82.519   15.210   22.555   7.1453   14.699   10.686   28.910   9.6098   68.353   23.700   96.686   19.071 -28.33313 30.41997 
1 1 1  -31   23   18 f   54.353   15.702   6.0709   7.2831   5.3392   11.007   6.6406   9.7134   54.376   22.634   54.331   21.768 0.4494095E-01 31.40331 
1 1 1  -31   23   19 o   67.886   16.400   14.726   7.1987   14.345   11.000   15.012   9.5207   67.393   23.990   68.380   22.368 -0.9870148 32.80064 
1 1 1  -31   23   20 f   54.928   15.409   6.5994   7.1820  -0.0101   11.066   11.410   9.4404   48.255   21.384   61.601   22.193 -13.34586 30.81897 
1 1 1  -31   23   21 o  112.769   12.672   39.164   7.3774   32.860   10.811   44.656   10.092  101.864   20.354  123.674   15.101 -21.80998 25.34392 
1 1 1  -31   23   22 o   84.378   15.978   23.765   7.4531   21.757   10.961   25.492   10.165   80.310   23.657   88.445   21.482 -8.134796 31.95554 
1 1 1  -31   23   23 o   91.749   15.376   27.683   7.5147   31.486   11.011   24.368   10.282   98.069   21.380   85.429   22.104 12.64029 30.75232 
1 1 1  -31   23   24 f   53.228   15.096   5.7578   7.0760  -1.4042   10.256   12.264   9.7754   44.483   20.081   61.974   22.545 -17.49066 30.19133 
1 1 1  -31   23   25 o   43.178   13.562  -4.9392   7.1983 -19.3619   10.759   6.7477   9.6852   33.317   16.452   53.040   21.564 -19.72224 27.12317 
1 1 1  -31   23   26 o   64.657   16.137   12.912   7.2677   19.511   10.773   7.3999   9.8459   74.919   23.730   54.395   21.873 20.52354 32.27332 
1 1 1  -31   23   27 o   46.558   15.173  -4.8295   8.6062  -8.7534   11.019   1.3097   13.782   40.170   19.028   52.946   23.638 -12.77650 30.34544 
1 1 1  -31   23   28 o   95.161   19.230   33.323   10.654   25.698   15.102   40.878   15.032   82.989   28.195  107.332   26.157 -24.34392 38.45930 
1 1 1  -31   23   29 o   80.779   19.149   23.779   10.557   33.829   14.767   13.273   15.099   95.510   27.265   66.047   26.896 29.46383 38.29854 
1 1 1  -31   23   30 o   49.056   16.170  -4.2655   10.551  -8.7140   14.896   0.2130   14.946   46.064   21.908   52.048   23.788 -5.984161 32.33900 
1 1 1  -31   23   31 o   56.195   16.527   2.8513   8.8153   24.662   14.697  -9.4034   11.017   74.434   27.551   37.957   18.262 36.47783 33.05404 
1 1 1  -31   23   32 o   54.913   16.128   8.7751   8.1810   2.8406   12.542   13.170   10.793   49.510   22.292   60.316   23.312 -10.80668 32.25499 
1 1 1  -31   23   33 o   70.434   16.794   18.711   7.7465   14.930   11.557   21.795   10.439   64.128   24.286   76.741   23.202 -12.61275 33.58795 
1 1 1  -31   23   34 o   45.008   14.559  -0.6696   7.8899   1.4014   11.824  -2.3321   10.594   47.533   21.500   42.483   19.637 5.050087 29.11791 
1 1 1  -31   23   35 o   50.397   16.390   3.6610   9.0515   2.3784   19.476   4.0143   10.223   53.704   25.397   47.090   20.724 6.613884 32.77989 
1 1 1  -31   24    1 o  116.308   11.593   39.566   7.2393   38.614   9.6673   40.782   10.923  115.191   15.531  117.424   17.214 -2.233879 23.18519 
1 1 1  -31   24    2 o   73.276   15.189   16.043   7.1626   5.7597   9.8698   27.485   10.411   53.551   21.770   93.001   21.189 -39.45010 30.37898 
1 1 1  -31   24    3 o   81.860   14.868   21.961   6.9876   29.662   9.5197   12.965   10.289   98.378   18.589   65.343   23.209 33.03492 29.73534 
1 1 1  -31   24    4 o   54.217   14.594   3.5008   6.9907  -8.3847   9.8646   15.492   9.9084   38.603   18.200   69.830   22.818 -31.22763 29.18749 
1 1 1  -31   24    5 o   74.139   21.400   15.713   13.852   7.3986   22.249   20.975   17.701   69.105   30.487   79.173   30.039 -10.06789 42.79906 
1 1 1  -31   24    6 o   60.595   19.461  -0.8021   13.851 -10.9257   23.382   4.6712   17.192   59.228   27.954   61.962   27.082 -2.734188 38.92117 
1 1 1  -31   24    7 o   78.417   19.365   17.949   13.437 -22.9505   23.796   37.095   16.281   54.356   26.320  102.478   28.412 -48.12241 38.72969 
1 1 1  -31   24    8 o   43.179   13.584  -5.0922   6.8012 -13.8086   9.2221   5.3022   10.071   33.251   16.167   53.107   21.835 -19.85645 27.16829 
1 1 1  -31   24    9 o   41.958   13.489  -3.7228   6.7440  -0.4577   9.6439  -6.8477   9.4346   45.236   20.008   38.679   18.097 6.557323 26.97844 
1 1 1  -31   24   10 f   53.795   15.214   6.1089   6.8511   2.3447   9.8909   9.5806   9.4989   48.884   20.951   58.707   22.066 -9.822414 30.42752 
1 1 1  -31   24   11 o   50.946   15.023   3.4558   7.0725  -1.1939   10.008   8.0938   9.9958   45.105   20.140   56.786   22.297 -11.68124 30.04630 
1 1 1  -31   24   12 o   84.636   16.061   23.603   7.4900   23.974   10.933   23.274   10.282   84.986   23.170   84.286   22.249 0.7004395 32.12262 
1 1 1  -31   24   13 o   44.166   13.871  -2.3202   6.9877 -10.2429   10.532   3.9105   9.3396   38.564   18.364   49.768   20.794 -11.20367 27.74176 
1 1 1  -31   24   14 o   83.157   15.548   23.042   7.4530   14.609   10.814   30.671   10.286   67.705   23.821   98.609   19.988 -30.90363 31.09573 
1 1 1  -31   24   15 o   46.139   14.402  -3.3194   7.4928   6.5142   10.845 -12.2994   10.364   55.464   22.714   36.815   17.712 18.64946 28.80391 
1 1 1  -31   24   16 f   72.470   16.533   17.385   7.4050   15.641   10.931   18.865   10.067   69.394   23.976   75.547   22.772 -6.153191 33.06676 
1 1 1  -31   24   17 o   53.943   15.571   6.0291   7.2803   2.8988   10.648   8.7766   9.9761   50.464   21.686   57.423   22.351 -6.959599 31.14259 
1 1 1  -31   24   18 o   87.731   14.268   25.660   8.1042   4.5458   11.791   44.569   11.158   53.734   22.948  121.728   16.963 -67.99335 28.53639 
1 1 1  -31   24   19 o   71.567   16.726   17.513   7.5284   19.130   10.861   16.016   10.445   74.307   23.858   68.828   23.448 5.478508 33.45154 
1 1 1  -31   24   20 o   97.449   15.287   31.104   7.8676   40.846   11.956   23.665   10.449  111.979   20.515   82.919   22.669 29.05953 30.57417 
1 1 1  -31   24   21 o   84.700   16.837   25.239   7.9883   25.199   12.214   25.268   10.560   83.546   25.062   85.854   22.492 -2.308075 33.67474 
1 1 1  -31   24   22 o  136.007   10.935   55.050   8.0263   56.795   11.712   53.504   11.021  137.820   15.726  134.194   15.199 3.625458 21.87073 
1 1 1  -31   24   23 o   41.662   13.670  -7.8509   7.6761   1.2247   10.884 -16.8325   10.827   48.445   21.350   34.879   17.079 13.56596 27.34041 
1 1 1  -31   24   24 o  112.711   25.968   44.775   15.490   0.0000   0.0000   44.775   15.490  ?   ?   112.711   25.968      ?      ? 
1 1 1  -31   24   25 o   64.540   18.238   12.062   9.8497   16.676   13.454   6.7342   14.459   70.162   26.283   58.918   25.293 11.24437 36.47647 
1 1 1  -31   24   26 f   43.952   14.635  -8.9012   9.1051 -15.8716   12.771  -1.6955   12.985   39.141   19.029   48.763   22.242 -9.621887 29.27090 
1 1 1  -31   24   27 o   45.975   15.124  -5.4653   9.5064   3.1554   12.734 -16.3176   14.288   51.237   22.810   40.713   19.867 10.52381 30.24869 
1 1 1  -31   24   28 o   55.981   16.988   8.4255   8.9305   15.261   14.711   4.4366   11.238   62.646   26.129   49.316   21.716 13.33059 33.97548 
1 1 1  -31   24   29 o   83.509   15.934   27.367   8.1185   15.235   12.141   37.178   10.918   63.259   24.648  103.759   20.200 -40.49996 31.86843 
1 1 1  -31   24   30 o   51.456   15.471   5.7164   7.6243   2.4311   11.237   8.5192   10.379   48.376   21.487   54.536   22.264 -6.160046 30.94175 
1 1 1  -31   24   31 o   40.515   13.585  -6.6474   7.8723  -5.4013   12.060  -7.5725   10.392   42.744   20.144   38.286   18.234 4.457455 27.17082 
1 1 1  -31   24   32 o   49.788   15.324   5.4937   7.7083   7.5999   11.296   3.6585   10.545   52.288   22.399   47.288   20.918 5.000103 30.64790 
1 1 1  -31   25    1 o   85.460   15.354   23.805   7.0251   23.108   9.1491   24.807   10.966   84.860   20.237   86.060   23.097 -1.200409 30.70851 
1 1 1  -31   25    2 o   85.005   13.925   21.937   7.4977   4.9469   10.250   41.488   10.996   52.385   21.827  117.626   17.299 -65.24033 27.85093 
1 1 1  -31   25    3 o   54.078   18.333 -14.3180   14.917 -17.2297   24.575 -12.6194   18.771   56.609   27.245   51.547   24.538 5.061516 36.66641 
1 1 1  -31   25    4 o   66.688   20.911   7.6079   14.766   3.4482   24.647   9.9369   18.442   66.846   30.549   66.531   28.563 0.3150406 41.82231 
1 1 1  -31   25    5 o   60.015   19.015   0.4555   13.504 -18.9572   22.721   11.059   16.792   53.743   25.949   66.287   27.802 -12.54404 38.03041 
1 1 1  -31   25    6 o   41.013   13.447  -7.3714   7.4105  -0.1526   10.112 -15.7471   10.892   46.140   20.444   35.885   17.475 10.25489 26.89475 
1 1 1  -31   25    7 o   46.577   14.483   0.2054   7.0618  -2.1988   9.6318   3.0001   10.384   43.031   19.440   50.123   21.474 -7.092003 28.96617 
1 1 1  -31   25    8 o   76.571   14.082   17.715   7.2178   34.466   10.332   1.7490   10.087  105.053   18.896   48.090   20.886 56.96288 28.16491 
1 1 1  -31   25    9 o   98.438   14.240   30.844   7.4482   38.412   10.673   23.660   10.399  112.734   17.521   84.142   22.454 28.59216 28.48044 
1 1 1  -31   25   10 o   53.410   15.269   5.6470   7.2276   11.227   9.7479  -1.1665   10.771   60.765   22.449   46.055   20.704 14.71035 30.53869 
1 1 1  -31   25   11 o   52.707   15.644   5.0990   7.5859   2.6734   11.051   7.2609   10.432   50.317   21.856   55.097   22.388 -4.780170 31.28774 
1 1 1  -31   25   12 o   69.451   16.539   16.379   7.3535   17.373   10.477   15.414   10.323   71.203   23.473   67.699   23.305 3.503960 33.07722 
1 1 1  -31   25   13 f   53.104   15.595   5.9096   7.4190   3.6043   10.594   8.1281   10.393   50.331   21.630   55.877   22.471 -5.546043 31.18975 
1 1 1  -31   25   14 o   79.599   16.597   21.800   7.7529   28.158   11.510   16.520   10.489   89.925   23.446   69.273   23.498 20.65186 33.19448 
1 1 1  -31   25   15 o   37.973   12.857 -11.6145   7.5790  -5.3099   10.891 -17.5344   10.554   42.196   19.643   33.750   16.594 8.446224 25.71418 
1 1 1  -31   25   16 o   46.915   14.762   0.1728   7.5702  -1.9866   10.760   2.2893   10.653   44.865   20.379   48.966   21.362 -4.101852 29.52395 
1 1 1  -31   25   17 o   41.921   13.735  -6.1903   7.5333   0.0677   10.824 -12.0700   10.491   47.064   20.985   36.777   17.726 10.28768 27.46956 
1 1 1  -31   25   18 o   48.546   15.255  -0.7218   8.2299   5.5382   11.752  -6.7457   11.529   54.465   23.072   42.627   19.964 11.83797 30.51048 
1 1 1  -31   25   20 o  193.234   13.545   91.013   11.014   37.664   12.963  229.505   20.886  105.633   23.333  280.834   13.763 -175.2009 27.08941 
1 1 1  -31   25   21 o   60.752   16.471  -1.7560   10.347   26.959   14.369 -32.6802   14.911   85.096   27.454   36.407   18.204 48.68866 32.94138 
1 1 1  -31   25   22 o   72.958   16.768   15.311   10.095   35.631   13.599  -9.6261   15.065   99.485   25.253   46.431   22.068 53.05435 33.53637 
1 1 1  -31   25   23 f   48.629   15.894  -1.9142   9.7199  -3.5991   12.943   0.2653   14.720   46.021   21.421   51.236   23.487 -5.214626 31.78798 
1 1 1  -31   25   24 o   56.697   17.063   7.4567   10.085   18.937   13.704  -6.1036   14.894   67.524   26.221   45.870   21.841 21.65393 34.12577 
1 1 1  -31   25   25 o   55.878   16.622   6.9814   8.5827   19.437   13.943  -0.6168   10.890   67.695   26.404   44.060   20.199 23.63568 33.24393 
1 1 1  -31   25   26 o   48.789   15.270   2.7723   8.0645  -1.1050   12.110   5.8622   10.811   46.226   21.232   51.352   21.953 -5.126076 30.54021 
1 1 1  -31   25   27 o   64.447   16.244   13.591   8.2921   0.7770   12.172   24.688   11.327   48.079   21.775   80.816   24.110 -32.73699 32.48737 
1 1 1  -31   25   28 o   96.671   16.106   34.256   8.3394   41.596   12.212   27.843   11.415  108.196   21.644   85.146   23.856 23.04952 32.21150 
1 1 1  -31   25   29 f   55.725   16.253   8.1731   8.3127   19.457   12.659  -0.3814   11.022   67.452   25.448   43.998   20.226 23.45360 32.50697 
1 1 1  -31   26    1 o   67.516   20.550   9.4092   15.118 -15.2095   24.863   23.851   19.043   56.394   27.208   78.637   30.805 -22.24277 41.10059 
1 1 1  -31   26    2 o   67.919   21.184   8.8110   15.288   23.086   23.299  -1.9824   20.260   77.768   32.690   58.070   26.952 19.69795 42.36800 
1 1 1  -31   26    3 f   41.913   14.670 -17.3223   9.2238 -17.7423   10.429 -15.8131   19.767   33.482   16.469   50.343   24.281 -16.86081 29.33953 
1 1 1  -31   26    4 o   33.906   11.724 -17.7399   7.4011  -8.6824   9.7023 -30.3458   11.446   37.266   17.711   30.546   15.367 6.720245 23.44870 
1 1 1  -31   26    5 o   79.942   16.761   22.058   7.7237   20.413   10.340   24.135   11.617   77.068   23.046   82.817   24.344 -5.749207 33.52233 
1 1 1  -31   26    6 f   51.851   15.616   4.2064   7.7723   6.8765   10.472   0.9323   11.597   54.470   22.315   49.233   21.850 5.237289 31.23130 
1 1 1  -31   26    7 o   54.338   16.004   5.9968   7.9033   9.0924   10.842   2.4861   11.545   57.923   23.068   50.754   22.188 7.169167 32.00712 
1 1 1  -31   26    8 o   98.654   14.744   31.234   7.7907   23.113   10.549   40.977   11.555   82.221   22.896  115.086   18.581 -32.86496 29.48710 
1 1 1  -31   26    9 o   82.925   15.899   22.962   7.6642   14.436   10.483   32.753   11.234   66.182   23.435   99.667   21.491 -33.48552 31.79707 
1 1 1  -31   26   10 o   48.341   14.282  -3.1704   7.5386   12.702   10.524 -19.8988   10.804   63.337   23.338   33.344   16.469 29.99288 28.56427 
1 1 1  -31   26   11 o   61.914   17.105   11.266   8.3195   12.840   11.588   9.5922   11.951   64.061   24.305   59.766   24.076 4.294529 34.21049 
1 1 1  -31   26   12 o   87.785   23.095   26.229   11.103   26.229   11.103   0.0000   0.0000   87.785   23.095  ?   ?       ?      ? 
1 1 1  -31   26   13 o  117.270   13.401   42.985   8.2771   45.137   11.504   40.675   11.918  121.914   17.463  112.625   20.331 9.288612 26.80105 
1 1 1  -31   26   14 o   51.537   15.441   2.5814   7.8811   10.143   11.058  -5.2234   11.235   59.792   23.460   43.282   20.082 16.50967 30.88150 
1 1 1  -31   26   15 o   89.370   16.920   27.756   8.3344   27.791   11.680   27.719   11.896   89.589   23.745   89.151   24.112 0.4384689 33.84074 
1 1 1  -31   26   16 o   71.502   18.465   17.421   8.9955   14.630   11.243   22.387   14.997   66.017   24.153   76.988   27.937 -10.97099 36.92979 
1 1 1  -31   26   17 o   97.299   18.682   35.725   10.042   35.833   13.369   35.586   15.212   99.246   24.955   95.353   27.808 3.893173 37.36338 
1 1 1  -31   26   18 o   57.573   17.562   8.7869   9.9740   10.236   13.689   7.1464   14.562   58.801   24.905   56.346   24.768 2.454548 35.12424 
1 1 1  -31   26   19 o   91.407   18.733   34.475   10.248   23.784   13.963   46.959   15.088   74.100   26.946  108.714   26.029 -34.61350 37.46508 
1 1 1  -31   26   20 o   49.715   16.105   1.7673   9.7697  -0.9680   13.505   4.7703   14.151   47.178   21.933   52.252   23.588 -5.074192 32.20948 
1 1 1  -31   26   21 o   75.845   19.094   24.191   9.8670   19.986   13.269   29.392   14.757   69.739   26.106   81.951   27.871 -12.21207 38.18818 
1 1 1  -31   26   22 o   76.887   17.402   22.388   8.3208   28.723   12.287   17.023   11.308   86.433   24.931   67.340   24.286 19.09245 34.80476 
1 1 1  -31   26   23 o   60.847   16.165   9.3258   8.2230   24.032   12.229  -2.8108   11.109   78.279   25.336   43.415   20.082 34.86337 32.32927 
1 1 1  -31   26   24 o   67.483   17.452   17.568   8.3788   22.316   12.336   13.501   11.416   73.992   25.475   60.975   23.861 13.01679 34.90480 
1 1 1  -31   26   25 o   70.570   17.244   20.638   8.4368   13.876   12.421   26.429   11.495   60.259   24.449   80.881   24.324 -20.62139 34.48838 
1 1 1  -31   26   26 o   43.052   14.212  -2.2917   8.2018  -5.8811   12.451   0.4599   10.901   41.802   19.922   44.303   20.273 -2.501320 28.42356 
1 1 1  -31   27    1 o   53.750   15.627   7.5921   7.2537   8.4266   9.3729   6.3460   11.454   54.144   21.485   53.356   22.697 0.7875671 31.25352 
1 1 1  -31   27    2 o   74.467   16.513   20.123   7.6459   25.165   10.641   14.743   10.993   84.060   22.834   64.875   23.861 19.18535 33.02659 
1 1 1  -31   27    3 o   53.388   15.353   7.2473   7.1020   10.232   9.4249   3.3251   10.803   57.321   21.878   49.455   21.546 7.866009 30.70610 
1 1 1  -31   27    4 o   59.019   15.880   10.893   7.3339   15.118   9.6934   5.2370   11.216   65.892   22.588   52.145   22.328 13.74732 31.76082 
1 1 1  -31   27    5 o   65.569   15.903   14.955   7.3915   20.858   9.7167   6.8487   11.387   76.980   22.161   54.158   22.814 22.82227 31.80513 
1 1 1  -31   27    6 o   51.655   15.082   5.5720   7.2725   11.023   9.5558  -1.9316   11.211   58.480   22.099   44.830   20.531 13.64936 30.16417 
1 1 1  -31   27    7 o   58.386   16.308   10.632   7.4932   9.6515   9.7072   12.078   11.787   56.127   21.992   60.646   24.085 -4.518360 32.61501 
1 1 1  -31   27    8 o   89.312   16.166   29.403   8.0787   36.468   11.206   21.758   11.657  103.297   20.795   75.327   24.757 27.96952 32.33180 
1 1 1  -31   27    9 o   37.882   12.799  -8.3608   7.3597  -6.2224   9.7547 -11.1866   11.213   38.095   18.003   37.670   18.199 0.4240990 25.59854 
1 1 1  -31   27   10 o   52.630   15.661   6.3934   8.0040   12.553   10.814  -1.0671   11.902   59.677   23.260   45.583   20.978 14.09412 31.32233 
1 1 1  -31   27   11 o   88.359   17.969   32.613   9.1789   34.989   11.404   28.243   15.466   98.188   22.036   78.529   28.390 19.65856 35.93827 
1 1 1  -31   27   12 o  106.388   18.145   43.729   10.249   35.135   13.254   56.509   16.163   93.123   25.562  119.654   25.760 -26.53021 36.29055 
1 1 1  -31   27   13 o  115.121   16.525   48.015   10.064   36.284   13.177   64.437   15.591   95.286   25.204  134.956   21.380 -39.66956 33.05061 
1 1 1  -31   27   14 o   61.244   16.595   11.105   9.3945   25.180   12.425  -7.6824   14.355   78.207   25.552   44.281   21.183 33.92601 33.19046 
1 1 1  -31   27   15 o  100.774   16.701   40.168   9.8819   55.203   13.376   22.099   14.663  129.229   19.154   72.320   27.364 56.90889 33.40154 
1 1 1  -31   27   16 o   88.536   18.027   31.741   9.6836   39.752   12.982   21.694   14.539  104.496   23.554   72.575   27.296 31.92086 36.05359 
1 1 1  -31   27   17 o   65.297   17.334   15.409   8.5956   9.5698   12.356   20.883   11.965   57.243   23.917   73.350   25.096 -16.10682 34.66751 
1 1 1  -31   27   18 o   69.195   17.003   18.180   8.0308   22.551   11.035   13.260   11.709   76.982   23.965   61.407   24.126 15.57475 34.00569 
1 1 1  -31   27   19 o   91.850   16.495   31.991   8.3256   26.192   11.816   37.708   11.732   81.190   24.717  102.509   21.849 -21.31898 32.98906 
1 1 1  -31   27   20 o   38.211   12.970  -9.3028   7.8618  -3.7094   10.952 -15.2499   11.293   41.406   19.413   35.015   17.206 6.390785 25.94022 
1 1 1  -31   27   21 o   59.996   16.035   11.545   8.2049   24.175   11.629  -0.9744   11.578   75.887   24.716   44.105   20.436 31.78246 32.07085 
1 1 1  -31   28    1 o   52.212   14.660   3.5230   7.4228   16.841   10.298 -10.8775   10.709   67.480   23.274   36.944   17.832 30.53572 29.31975 
1 1 1  -31   28    2 o   64.012   16.244   14.419   7.7774   21.266   10.490   6.0615   11.590   75.515   23.342   52.510   22.596 23.00571 32.48725 
1 1 1  -31   28    3 o  133.410   20.401   59.730   14.707   0.0000   0.0000   59.730   14.707  ?   ?   133.410   20.401      ?      ? 
1 1 1  -31   28    4 o   51.656   15.705   4.8020   8.3648   10.480   10.600  -4.5721   13.620   57.331   22.817   45.981   21.587 11.34979 31.41018 
1 1 1  -31   28    5 o   57.971   16.857   8.2630   8.3357   2.4752   10.405   18.633   13.928   47.208   20.836   68.734   26.505 -21.52588 33.71451 
1 1 1  -31   28    6 o   43.473   14.492  -5.4278   8.3865  -7.1171   10.453  -2.3761   14.050   38.915   18.463   48.030   22.343 -9.114384 28.98406 
1 1 1  -31   28    7 o  102.136   16.273   40.834   9.2198   51.599   11.940   24.932   14.511  127.362   17.348   76.910   27.536 50.45154 32.54515 
1 1 1  -31   28    8 o   42.656   14.170  -5.1269   8.3531  -0.8117   10.383 -13.0450   14.064   43.768   19.934   41.544   20.144 2.224277 28.34031 
1 1 1  -31   28    9 o   53.819   16.557   6.8244   8.8223   7.8694   10.911   4.8514   14.993   53.582   22.439   54.056   24.353 -0.4742622 33.11412 
1 1 1  -31   28   10 o   70.323   18.367   17.582   9.0143   10.399   11.059   31.802   15.560   56.590   23.029   84.056   28.619 -27.46645 36.73387 
1 1 1  -31   28   11 o   52.189   16.061   5.5575   8.5698   0.4946   11.640   11.551   12.664   46.150   21.053   58.227   24.261 -12.07779 32.12207 
1 1 1  -31   28   12 o  123.286   13.875   52.836   8.7137   60.981   11.830   43.175   12.884  138.797   15.773  107.775   22.832 31.02242 27.75053 
1 1 1  -31   28   13 o   44.446   14.272  -0.3681   7.7548   5.7044   10.506  -7.6383   11.495   49.412   21.387   39.480   18.905 9.932854 28.54451 
1 1 1  -31   28   14 o   44.487   14.296  -0.4057   7.6184  -6.2977   10.364   6.5205   11.237   38.270   18.222   50.705   22.033 -12.43462 28.59144 
1 1 1  -31   28   15 o   70.900   24.599   21.278   11.513   0.0000   0.0000   21.278   11.513  ?   ?    70.900   24.599      ?      ? 
1 1 1  -30    0    1 o  318.197   5.5435  274.262   13.461  274.262   13.461  274.262   13.461  318.197   7.8397  318.197   7.8397 0.000000 0.000000 
1 1 1  -30    0    2 o  1315.10   15.804  4705.24  158.726  4705.24  158.726  4705.24  158.726  1315.10   22.350  1315.10   22.350 0.000000 0.000000 
1 1 1  -30    0    3 o   23.313   11.430  -6.0420   7.0631  -6.0420   7.0631  -6.0420   7.0631   23.313   16.164   23.313   16.164 0.000000 0.000000 
1 1 1  -30    0    4 f  391.562   5.8249  415.136   17.412  415.136   17.412  415.136   17.412  391.562   8.2376  391.562   8.2376 0.000000 0.000000 
1 1 1  -30    0    5 o  232.364   5.5100  146.478   9.7592  146.478   9.7592  146.478   9.7592  232.364   7.7923  232.364   7.7923 0.000000 0.000000 
1 1 1  -30    0    6 o   85.309   12.554   22.093   7.2168   22.093   7.2168   22.093   7.2168   85.309   17.754   85.309   17.754 0.000000 0.000000 
1 1 1  -30    0    7 f   65.928   15.702   15.202   7.0709   15.202   7.0709   15.202   7.0709   65.928   22.206   65.928   22.206 0.000000 0.000000 
1 1 1  -30    0    8 o   91.509   11.134   24.597   7.0943   24.597   7.0943   24.597   7.0943   91.509   15.746   91.509   15.746 0.000000 0.000000 
1 1 1  -30    0    9 o  485.694   6.6496  638.795   24.660  638.795   24.660  638.795   24.660  485.694   9.4040  485.694   9.4040 0.000000 0.000000 
1 1 1  -30    0   10 o  261.667   5.4639  185.619   10.904  185.619   10.904  185.619   10.904  261.667   7.7271  261.667   7.7271 0.000000 0.000000 
1 1 1  -30    0   11 o  586.589   7.6202  932.024   34.133  932.024   34.133  932.024   34.133  586.589   10.777  586.589   10.777 0.000000 0.000000 
1 1 1  -30    0   12 o  516.576   6.9676  722.703   27.483  722.703   27.483  722.703   27.483  516.576   9.8537  516.576   9.8537 0.000000 0.000000 
1 1 1  -30    0   13 o  492.972   9.5326  659.685   35.851  659.685   35.851  659.685   35.851  492.972   13.481  492.972   13.481 0.000000 0.000000 
1 1 1  -30    0   14 o  422.153   8.7994  483.784   28.332  483.784   28.332  483.784   28.332  422.153   12.444  422.153   12.444 0.000000 0.000000 
1 1 1  -30    0   15 o   41.868   18.044   4.2387   10.876   4.2387   10.876   4.2387   10.876   41.868   25.518   41.868   25.518 0.000000 0.000000 
1 1 1  -30    0   16 o  564.507   7.4346  863.280   32.047  863.280   32.047  863.280   32.047  564.507   10.514  564.507   10.514 0.000000 0.000000 
1 1 1  -30    0   17 o   44.420   16.410   7.8066   7.3007   7.8066   7.3007   7.8066   7.3007   44.420   23.207   44.420   23.207 0.000000 0.000000 
1 1 1  -30    0   18 o  195.771   6.0969  104.277   9.0811  104.277   9.0811  104.277   9.0811  195.771   8.6223  195.771   8.6223 0.000000 0.000000 
1 1 1  -30    0   19 o   71.584   15.828   17.454   7.5957   17.454   7.5957   17.454   7.5957   71.584   22.384   71.584   22.384 0.000000 0.000000 
1 1 1  -30    0   20 o  300.389   5.6394  244.604   12.925  244.604   12.925  244.604   12.925  300.389   7.9754  300.389   7.9754 0.000000 0.000000 
1 1 1  -30    0   21 o   40.077   16.051   5.7655   7.5832   5.7655   7.5832   5.7655   7.5832   40.077   22.700   40.077   22.700 0.000000 0.000000 
1 1 1  -30    0   22 o  416.054   6.1487  469.052   19.530  469.052   19.530  469.052   19.530  416.054   8.6956  416.054   8.6956 0.000000 0.000000 
1 1 1  -30    0   23 o   57.083   17.145   12.606   7.5911   12.606   7.5911   12.606   7.5911   57.083   24.246   57.083   24.246 0.000000 0.000000 
1 1 1  -30    0   24 o  165.807   6.8746   75.207   8.6422   75.207   8.6422   75.207   8.6422  165.807   9.7222  165.807   9.7222 0.000000 0.000000 
1 1 1  -30    0   25 o  144.513   7.2890   57.432   7.9555   57.432   7.9555   57.432   7.9555  144.513   10.308  144.513   10.308 0.000000 0.000000 
1 1 1  -30    0   28 o  439.407   9.0023  525.676   30.171  525.676   30.171  525.676   30.171  439.407   12.731  439.407   12.731 0.000000 0.000000 
1 1 1  -30    0   29 o  412.437   6.0952  461.308   19.192  461.308   19.192  461.308   19.192  412.437   8.6200  412.437   8.6200 0.000000 0.000000 
1 1 1  -30    0   30 o   39.312   15.725   5.6342   7.2666   5.6342   7.2666   5.6342   7.2666   39.312   22.239   39.312   22.239 0.000000 0.000000 
1 1 1  -30    0   31 o   60.331   16.340   13.554   7.1144   13.554   7.1144   13.554   7.1144   60.331   23.108   60.331   23.108 0.000000 0.000000 
1 1 1  -30    0   32 o  117.381   9.1937   38.837   7.9883   38.837   7.9883   38.837   7.9883  117.381   13.002  117.381   13.002 0.000000 0.000000 
1 1 1  -30    0   33 o  249.500   5.6836  169.221   10.811  169.221   10.811  169.221   10.811  249.500   8.0378  249.500   8.0378 0.000000 0.000000 
1 1 1  -30    0   34 o   70.133   15.304   16.820   7.1775   16.820   7.1775   16.820   7.1775   70.133   21.643   70.133   21.643 0.000000 0.000000 
1 1 1  -30    0   35 o  185.156   6.3090   93.652   8.8796   93.652   8.8796   93.652   8.8796  185.156   8.9223  185.156   8.9223 0.000000 0.000000 
1 1 1  -30    0   36 o  142.035   7.4076   55.730   7.9399   55.730   7.9399   55.730   7.9399  142.035   10.476  142.035   10.476 0.000000 0.000000 
1 1 1  -30    0   37 o  418.376   6.2528  475.969   19.971  475.969   19.971  475.969   19.971  418.376   8.8427  418.376   8.8427 0.000000 0.000000 
1 1 1  -30    0   38 o  222.085   5.8598  134.446   9.9136  134.446   9.9136  134.446   9.9136  222.085   8.2870  222.085   8.2870 0.000000 0.000000 
1 1 1  -30    0   39 o  110.678   9.5365   34.952   7.7462   34.952   7.7462   34.952   7.7462  110.678   13.487  110.678   13.487 0.000000 0.000000 
1 1 1  -30    0   40 o   30.766   13.726   1.3779   6.8573   1.3779   6.8573   1.3779   6.8573   30.766   19.412   30.766   19.412 0.000000 0.000000 
1 1 1  -30    0   41 o  231.238   5.9604  145.966   10.501  145.966   10.501  145.966   10.501  231.238   8.4293  231.238   8.4293 0.000000 0.000000 
1 1 1  -30    0   42 o   32.957   14.305   2.7313   6.9456   2.7313   6.9456   2.7313   6.9456   32.957   20.230   32.957   20.230 0.000000 0.000000 
1 1 1  -30    0   43 o   34.064   14.852   2.8652   7.5620   2.8652   7.5620   2.8652   7.5620   34.064   21.003   34.064   21.003 0.000000 0.000000 
1 1 1  -30    0   44 o   20.171   10.185 -10.1755   7.0646 -10.1755   7.0646 -10.1755   7.0646   20.171   14.403   20.171   14.403 0.000000 0.000000 
1 1 1  -30    0   45 o   37.015   15.368   4.8256   7.3393   4.8256   7.3393   4.8256   7.3393   37.015   21.734   37.015   21.734 0.000000 0.000000 
1 1 1  -30    0   46 o   56.110   16.975   12.753   7.4323   12.753   7.4323   12.753   7.4323   56.110   24.006   56.110   24.006 0.000000 0.000000 
1 1 1  -30    0   47 o   72.244   15.672   18.292   7.5642   18.292   7.5642   18.292   7.5642   72.244   22.163   72.244   22.163 0.000000 0.000000 
1 1 1  -30    0   48 o   51.861   17.850   11.636   8.3149   11.636   8.3149   11.636   8.3149   51.861   25.244   51.861   25.244 0.000000 0.000000 
1 1 1  -30    0   49 o   26.123   12.606  -3.9994   7.8278  -3.9994   7.8278  -3.9994   7.8278   26.123   17.828   26.123   17.828 0.000000 0.000000 
1 1 1  -30    0   50 o   52.317   18.026   11.984   8.4833   11.984   8.4833   11.984   8.4833   52.317   25.493   52.317   25.493 0.000000 0.000000 
1 1 1  -30    0   51 o  240.677   6.2213  159.250   11.408  159.250   11.408  159.250   11.408  240.677   8.7983  240.677   8.7983 0.000000 0.000000 
1 1 1  -30    0   52 o   27.580   13.152  -2.5020   8.0252  -2.5020   8.0252  -2.5020   8.0252   27.580   18.600   27.580   18.600 0.000000 0.000000 
1 1 1  -30    0   53 o   57.439   22.556   16.455   14.609   16.455   14.609   16.455   14.609   57.439   31.900   57.439   31.900 0.000000 0.000000 
1 1 1  -30    0   56 o   23.392   11.708  -8.7487   8.6224  -8.7487   8.6224  -8.7487   8.6224   23.392   16.557   23.392   16.557 0.000000 0.000000 
1 1 1  -30    0   57 o   30.639   14.283   0.1618   8.5779   0.1618   8.5779   0.1618   8.5779   30.639   20.199   30.639   20.199 0.000000 0.000000 
1 1 1  -30    0   58 o  146.923   9.0734   63.095   10.009   63.095   10.009   63.095   10.009  146.923   12.832  146.923   12.832 0.000000 0.000000 
1 1 1  -30    1    1 o  184.350   6.0347   91.992   6.0105   94.279   8.5189   89.725   8.4814  186.635   8.4470  182.066   8.6209 4.569473 12.06945 
1 1 1  -30    1    2 f  450.589   6.2996  549.544   15.337  541.975   21.541  557.326   21.843  447.443   8.9092  453.735   8.9087 -6.292297 12.59921 
1 1 1  -30    1    3 o  574.539   7.4650  894.135   23.173  884.710   32.467  903.921   33.085  571.460   10.514  577.618   10.600 -6.158447 14.92997 
1 1 1  -30    1    4 o  239.805   5.3963  155.595   6.9925  154.814   9.8886  156.376   9.8893  239.203   7.6503  240.408   7.6126 -1.205093 10.79252 
1 1 1  -30    1    5 o   95.248   9.6376   24.633   4.9552   23.254   6.9840   26.032   7.0318   92.551   13.965   97.946   13.286 -5.395325 19.27514 
1 1 1  -30    1    6 o  214.967   5.4822  124.608   6.3562  132.286   9.3452  117.998   8.6707  221.105   7.8217  208.829   7.6838 12.27611 10.96447 
1 1 1  -30    1    7 o  110.029   8.7663   32.859   5.2023   30.393   7.3239   35.370   7.3910  105.845   12.805  114.212   11.976 -8.366570 17.53257 
1 1 1  -30    1    8 o   81.724   11.627   18.823   4.9559   20.711   7.0508   16.980   6.9674   85.955   15.761   77.492   17.097 8.462463 23.25376 
1 1 1  -30    1    9 o  158.796   6.4896   68.246   5.5665   69.399   8.0062   67.166   7.7447  160.092   9.2549  157.501   9.0999 2.590439 12.97922 
1 1 1  -30    1   10 o   84.817   11.550   20.281   5.1387   24.308   7.1379   15.949   7.4039   94.611   13.962   75.023   18.403 19.58822 23.09956 
1 1 1  -30    1   11 o  127.557   8.1637   44.779   5.4911   56.212   7.7877   33.475   7.7438  144.049   10.005  111.065   12.903 32.98431 16.32736 
1 1 1  -30    1   12 o  368.883   7.0165  360.864   13.056  347.772   15.710  390.090   23.472  358.457   8.1106  379.309   11.452 -20.85260 14.03292 
1 1 1  -30    1   13 o  394.045   7.3553  416.491   14.589  432.432   26.092  409.240   17.597  399.272   12.093  388.818   8.3756 10.45355 14.71064 
1 1 1  -30    1   14 o  364.617   8.1840  359.865   16.125   0.0000   0.0000  359.865   16.125  ?   ?   364.617   8.1840      ?      ? 
1 1 1  -30    1   15 o  198.618   7.4893  104.479   7.6688   99.174   9.4089  114.978   13.236  191.363   9.0990  205.874   11.898 -14.51170 14.97860 
1 1 1  -30    1   16 o  510.824   8.4692  703.152   21.893  694.322   26.565  721.847   38.653  506.229   9.7111  515.420   13.878 -9.190796 16.93836 
1 1 1  -30    1   17 o   58.100   13.048   7.9993   5.1054   14.594   7.2259   1.4257   7.2143   71.775   18.510   44.425   18.394 27.35003 26.09543 
1 1 1  -30    1   18 o  222.065   5.7657  133.427   6.9155  128.128   9.6437  139.035   9.9223  217.527   8.2043  226.603   8.1032 -9.075592 11.53140 
1 1 1  -30    1   19 o  195.103   6.1593  103.113   6.4915   99.624   9.1293  106.682   9.2323  191.758   8.8104  198.447   8.6095 -6.688965 12.31853 
1 1 1  -30    1   20 o  218.860   5.8836  129.694   6.9551  135.210   9.9469  124.417   9.7288  223.417   8.2392  214.303   8.4012 9.113556 11.76712 
1 1 1  -30    1   21 o  329.174   5.6444  293.517   10.039  293.562   14.312  293.472   14.085  329.193   8.0455  329.156   7.9189 0.3723145E-01 11.28888 
1 1 1  -30    1   22 o  344.716   5.7146  321.946   10.644  322.571   15.136  321.334   14.972  345.043   8.1181  344.389   8.0452 0.6535950 11.42929 
1 1 1  -30    1   23 o  196.029   6.2875  104.062   6.6465   95.051   9.2327  113.755   9.5758  187.213   9.1266  204.845   8.6509 -17.63203 12.57507 
1 1 1  -30    1   24 o  375.341   5.9247  381.916   12.017  381.400   16.991  382.431   16.997  375.087   8.3828  375.595   8.3748 -0.5078430 11.84943 
1 1 1  -30    1   25 o  170.973   8.1945   74.173   7.2052   63.388   8.7116   97.523   12.818  152.729   10.556  189.217   12.537 -36.48758 16.38896 
1 1 1  -30    1   28 o  349.720   8.3721  333.185   15.814  340.315   22.800  326.577   21.952  353.295   11.943  346.144   11.736 7.150970 16.74424 
1 1 1  -30    1   29 o   95.884   10.856   25.967   5.4036   21.965   7.8892   29.503   7.4165   87.864   17.232  103.904   13.209 -16.03999 21.71228 
1 1 1  -30    1   30 o  167.346   6.6638   76.074   6.0220   80.000   8.6509   72.384   8.3881  171.540   9.3326  163.152   9.5145 8.389069 13.32757 
1 1 1  -30    1   31 o   87.427   11.678   21.528   5.3803   25.156   7.6891   18.047   7.5312   95.653   14.876   79.202   18.005 16.45096 23.35536 
1 1 1  -30    1   32 o  294.759   5.6140  236.054   8.9416  236.723   12.612  235.379   12.679  295.185   7.9067  294.333   7.9720 0.8524780 11.22799 
1 1 1  -30    1   33 o   81.880   11.973   18.980   5.2203   23.293   7.5121   14.953   7.2595   91.864   15.133   71.896   18.559 19.96715 23.94695 
1 1 1  -30    1   34 f  240.792   5.5872  157.526   7.2676  161.961   10.432  153.343   10.131  244.083   7.9091  237.502   7.8939 6.580444 11.17437 
1 1 1  -30    1   35 o   46.730   13.005   3.0450   4.9882  -0.4002   6.9923   6.6152   7.1181   40.563   17.503   52.896   19.239 -12.33293 26.00902 
1 1 1  -30    1   36 o  172.107   6.5952   80.901   6.1283   79.178   8.7913   82.530   8.5473  170.281   9.5544  173.934   9.0940 -3.653137 13.19041 
1 1 1  -30    1   37 o  152.967   7.0221   64.061   5.8020   62.157   8.2237   65.949   8.1869  150.669   10.101  155.266   9.7579 -4.596512 14.04428 
1 1 1  -30    1   38 o  363.747   5.8878  360.890   11.572  363.963   16.500  357.916   16.233  365.257   8.3599  362.237   8.2932 3.019226 11.77563 
1 1 1  -30    1   39 o  187.446   6.1749   96.149   6.2426  102.237   8.7893   89.951   8.8679  193.520   8.4050  181.372   9.0483 12.14775 12.34972 
1 1 1  -30    1   40 o  169.060   6.5213   78.230   5.9553   75.952   8.2912   80.657   8.5593  166.523   9.2142  171.598   9.2308 -5.075089 13.04257 
1 1 1  -30    1   41 o  164.751   7.0688   74.413   6.2591   85.787   9.1222   64.296   8.6039  176.734   9.5519  152.767   10.423 23.96727 14.13758 
1 1 1  -30    1   42 o  128.924   7.9998   45.986   5.5252   54.215   7.9876   38.435   7.6510  140.183   10.545  117.665   12.033 22.51781 15.99960 
1 1 1  -30    1   43 o  165.088   6.8222   74.802   6.0740   70.687   8.2796   79.597   8.9379  160.217   9.5634  169.959   9.7320 -9.741501 13.64446 
1 1 1  -30    1   44 o   54.786   13.544   6.5351   5.4138   13.849   7.9835   0.3086   7.3662   67.784   20.246   41.787   17.998 25.99691 27.08874 
1 1 1  -30    1   45 o  176.779   6.6095   86.156   6.3107   86.029   8.7867   86.291   9.0694  176.699   9.2025  176.860   9.4899 -0.1606750 13.21902 
1 1 1  -30    1   46 o   44.116   12.932   2.1909   5.0959   4.1719   7.2936   0.3016   7.1229   47.307   18.895   40.924   17.662 6.382652 25.86462 
1 1 1  -30    1   47 o   70.153   13.806   15.162   5.4205   15.721   7.8682   14.657   7.4781   71.290   19.747   69.016   19.299 2.273689 27.61107 
1 1 1  -30    1   48 o  128.812   8.6996   46.688   6.0317   41.302   8.2965   52.726   8.7846  120.771   12.713  136.853   11.879 -16.08236 17.39911 
1 1 1  -30    1   49 o   58.291   13.450   8.8889   5.5138   1.1712   7.7903   16.636   7.8052   43.457   18.608   73.126   19.424 -29.66875 26.89899 
1 1 1  -30    1   50 o  166.506   7.4939   77.850   6.7171   85.822   9.5360   70.000   9.4631  175.275   10.068  157.737   11.102 17.53780 14.98777 
1 1 1  -30    1   51 o  115.207   9.7519   38.264   6.0706   38.357   8.5457   38.170   8.6251  115.393   13.705  115.021   13.877 0.3714066 19.50382 
1 1 1  -30    1   52 f   37.234   12.001  -8.0112   5.8811   3.4474   8.4150 -18.9519   8.2226   46.878   19.672   27.590   13.752 19.28849 24.00241 
1 1 1  -30    1   53 o   50.795   16.291  -0.6419   9.6520  -1.7070   14.441   0.2180   12.976   51.068   23.356   50.523   22.718 0.5445557 32.58220 
1 1 1  -30    1   56 o   79.750   14.778   23.117   6.5329   26.701   9.0784   19.267   9.4083   87.789   19.630   71.710   22.096 16.07876 29.55610 
1 1 1  -30    1   57 o   63.962   15.243   14.291   6.4124   18.878   9.2585   10.062   8.8897   72.204   21.856   55.720   21.252 16.48442 30.48507 
1 1 1  -30    1   58 o   40.410   13.013  -0.7198   6.2984   2.2040   9.0144  -3.5086   8.8038   43.388   19.260   37.431   17.503 5.956375 26.02512 
1 1 1  -30    2    1 o  254.115   5.3427  174.969   7.3258  167.403   10.481  182.196   10.243  248.725   7.7986  259.506   7.3047 -10.78117 10.68533 
1 1 1  -30    2    2 o   99.711   9.1251   27.006   4.9083   25.219   6.9454   28.789   6.9375   96.398   13.333  103.024   12.462 -6.626488 18.25029 
1 1 1  -30    2    3 o  340.513   5.5107  313.539   10.136  302.070   14.143  325.651   14.534  334.112   7.8335  346.913   7.7529 -12.80157 11.02134 
1 1 1  -30    2    4 o  220.232   5.5759  131.292   6.6323  126.477   9.3785  136.108   9.3804  216.186   8.0282  224.278   7.7401 -8.092194 11.15176 
1 1 1  -30    2    5 o  333.089   5.4835  300.141   9.8681  292.747   13.844  307.779   14.070  328.917   7.7890  337.261   7.7206 -8.343262 10.96702 
1 1 1  -30    2    6 o  441.209   6.2173  526.733   14.819  515.698   20.679  538.383   21.247  436.463   8.7680  445.954   8.8170 -9.491699 12.43455 
1 1 1  -30    2    7 o  522.084   6.9642  738.245   19.647  732.998   27.711  743.548   27.859  520.218   9.8578  523.950   9.8399 -3.732666 13.92839 
1 1 1  -30    2    8 o  291.666   5.3884  230.271   8.4887  226.696   12.128  233.703   11.885  289.439   7.7546  293.893   7.4837 -4.454590 10.77685 
1 1 1  -30    2    9 o  131.461   7.6066   46.803   5.4003   47.680   7.7986   45.995   7.4855  132.639   10.881  130.283   10.633 2.355774 15.21327 
1 1 1  -30    2   10 o  324.878   5.5315  285.572   9.7074  287.631   13.932  283.629   13.534  326.010   7.9083  323.746   7.7362 2.264648 11.06300 
1 1 1  -30    2   11 o  233.721   6.7144  152.777   8.1123  168.103   10.408  129.054   12.949  249.238   7.7279  218.203   10.982 31.03491 13.42871 
1 1 1  -30    2   12 o  415.830   6.1352  467.840   13.781  453.963   19.220  482.525   19.771  409.486   8.6863  422.173   8.6666 -12.68732 12.27031 
1 1 1  -30    2   13 o   81.448   14.075   19.484   6.0940   15.090   9.9044   22.160   7.7306   74.096   22.645   88.800   16.724 -14.70393 28.15090 
1 1 1  -30    2   14 o   68.010   14.836   13.377   6.1076   4.5113   11.735   16.671   7.1528   59.313   23.869   76.707   17.626 -17.39455 29.67219 
1 1 1  -30    2   15 o  399.286   7.4123  430.326   14.945  437.162   26.431  427.113   18.119  401.385   12.186  397.187   8.4422 4.197937 14.82462 
1 1 1  -30    2   16 f  431.362   7.6458  506.627   16.897  511.292   20.868  497.748   28.793  434.501   8.8881  428.222   12.443 6.279419 15.29160 
1 1 1  -30    2   17 o  280.210   6.9061  215.077   9.9083  220.230   12.277  205.450   16.780  285.216   7.9660  275.203   11.284 10.01334 13.81219 
1 1 1  -30    2   18 o  354.096   5.7434  339.480   10.989  343.254   15.648  335.809   15.435  356.036   8.1335  352.156   8.1113 3.880310 11.48687 
1 1 1  -30    2   19 o  117.104   8.9945   37.278   5.6886   38.772   8.0609   35.797   8.0290  119.454   12.488  114.755   12.948 4.699402 17.98894 
1 1 1  -30    2   20 o  450.867   6.4025  550.977   15.599  548.546   22.028  553.423   22.092  449.869   9.0615  451.866   9.0475 -1.997437 12.80502 
1 1 1  -30    2   21 o  451.277   6.4287  552.095   15.676  553.118   22.307  551.097   22.033  451.682   9.1395  450.872   9.0434 0.8094482 12.85743 
1 1 1  -30    2   22 o  248.934   5.6867  168.019   7.6439  163.099   10.909  172.763   10.714  245.336   8.2290  252.532   7.8511 -7.196671 11.37348 
1 1 1  -30    2   23 o   99.809   10.372   28.061   5.3445   32.581   7.3325   22.937   7.8062  109.429   12.400   90.189   16.630 19.23946 20.74458 
1 1 1  -30    2   24 o  106.770   9.4737   31.090   5.4555   33.506   7.7563   28.725   7.6747  110.909   12.942  102.632   13.839 8.276489 18.94736 
1 1 1  -30    2   25 o  149.600   10.322   61.042   8.3306   56.306   11.541   66.194   12.037  143.520   14.881  155.680   14.309 -12.15996 20.64449 
1 1 1  -30    2   26 o  171.568   15.000   80.586   13.906   0.0000   0.0000   80.586   13.906  ?   ?   171.568   15.000      ?      ? 
1 1 1  -30    2   28 o  308.242   8.1160  258.954   13.514  254.054   19.227  263.739   18.998  305.319   11.654  311.164   11.299 -5.845551 16.23203 
1 1 1  -30    2   29 f  256.520   5.6969  178.557   7.8951  178.670   11.054  178.439   11.280  256.615   7.9715  256.426   8.1409 0.1892090 11.39383 
1 1 1  -30    2   30 o  273.783   5.6253  203.415   8.3208  208.645   11.853  198.335   11.683  277.258   7.9117  270.308   7.9987 6.950104 11.25054 
1 1 1  -30    2   31 o  348.339   5.7748  329.377   10.864  322.578   15.069  336.736   15.677  344.615   8.0922  352.062   8.2408 -7.446930 11.54968 
1 1 1  -30    2   32 o  139.891   7.7870   53.539   5.8553   46.790   8.2053   60.542   8.3580  130.809   11.608  148.974   10.383 -18.16490 15.57407 
1 1 1  -30    2   33 o  125.102   8.5763   43.975   5.6033   31.645   8.0166   55.752   7.8349  107.253   13.832  142.952   10.143 -35.69885 17.15252 
1 1 1  -30    2   34 o  137.303   7.3405   51.482   5.4461   51.903   7.7196   51.065   7.6845  137.865   10.362  136.742   10.400 1.122513 14.68102 
1 1 1  -30    2   35 o  153.262   6.9573   64.218   5.7444   70.233   8.1504   58.280   8.0975  160.474   9.3991  146.051   10.260 14.42268 13.91462 
1 1 1  -30    2   36 o  274.589   5.6290  204.941   8.3455  194.951   11.555  215.834   12.066  267.597   7.9912  281.581   7.9300 -13.98431 11.25808 
1 1 1  -30    2   37 o  193.347   6.2816  101.990   6.5589  107.134   9.4007   97.111   9.1555  198.117   8.7812  188.578   8.9847 9.539078 12.56322 
1 1 1  -30    2   38 o  108.449   8.9250   32.487   5.2300   32.098   7.3897   32.877   7.4029  107.786   12.688  109.112   12.556 -1.326057 17.84993 
1 1 1  -30    2   39 o   41.018   12.423  -0.0591   4.9377  -1.7707   6.7835   1.8698   7.2013   37.837   16.756   44.199   18.345 -6.361183 24.84553 
1 1 1  -30    2   40 o   93.289   10.403   24.326   5.2408   25.465   7.5490   23.266   7.2815   95.410   14.642   91.168   14.781 4.241890 20.80536 
1 1 1  -30    2   41 o  259.563   5.7896  184.064   8.1151  189.670   11.740  178.934   11.230  263.320   8.2505  255.806   8.1244 7.513611 11.57918 
1 1 1  -30    2   42 o  176.937   6.6421   86.053   6.3473   84.383   9.0623   87.662   8.8930  175.194   9.5726  178.680   9.2105 -3.486588 13.28417 
1 1 1  -30    2   43 o  147.872   7.3387   60.513   5.7852   48.354   8.0055   73.803   8.3698  132.021   11.222  163.724   9.4605 -31.70279 14.67747 
1 1 1  -30    2   44 o   99.849   10.225   28.203   5.5106   28.412   7.6327   27.976   7.9643  100.352   14.076   99.346   14.836 1.005707 20.45039 
1 1 1  -30    2   45 o   52.637   13.670   6.1391   5.4588   0.7961   7.8074   11.249   7.6353   43.455   18.618   61.818   20.020 -18.36317 27.33967 
1 1 1  -30    2   46 o  138.403   7.8181   53.573   5.8235   58.124   8.1615   48.853   8.3118  144.641   10.442  132.165   11.638 12.47546 15.63612 
1 1 1  -30    2   47 o   75.914   13.005   17.207   5.5433   9.5608   7.4950   26.440   8.2362   57.653   19.857   94.175   16.801 -36.52175 26.01063 
1 1 1  -30    2   48 o   59.956   14.151   10.718   5.3790   10.540   7.5429   10.903   7.6729   59.538   19.928   60.373   20.097 -0.8348351 28.30187 
1 1 1  -30    2   49 o   69.608   11.931   13.962   5.7264  -1.0579   8.3545   27.272   7.8644   41.956   18.587   97.261   14.964 -55.30414 23.86173 
1 1 1  -30    2   50 o   92.761   12.131   25.997   5.9229   22.639   8.3864   29.339   8.3662   85.296   18.710  100.226   15.448 -14.93076 24.26281 
1 1 1  -30    2   51 o   46.685   13.506   3.3234   5.5522   6.7512   7.8846  -0.0482   7.8199   51.859   19.958   41.511   18.201 10.34791 27.01111 
1 1 1  -30    2   52 o   39.493   12.677  -2.5949   5.8990  -0.5398   8.4488  -4.5497   8.2400   41.809   18.598   37.178   17.232 4.630707 25.35369 
1 1 1  -30    2   53 o  114.636   16.273   44.003   9.8885   59.932   14.533   30.270   13.494  138.058   19.481   91.214   26.072 46.84371 32.54595 
1 1 1  -30    2   56 o   50.065   14.574   6.7307   6.3545   6.7868   8.9352   6.6732   9.0390   50.099   20.579   50.031   20.642 0.6884384E-01 29.14727 
1 1 1  -30    2   57 o   58.042   15.263   11.197   6.4629   8.0949   8.8188   14.795   9.4987   52.284   20.811   63.800   22.332 -11.51548 30.52574 
1 1 1  -30    2   58 o   91.775   13.377   29.215   6.5325   34.947   9.3527   23.755   9.1282  103.418   16.736   80.132   20.873 23.28602 26.75407 
1 1 1  -30    3    1 o  266.825   5.2904  192.674   7.6256  187.208   10.782  198.144   10.787  263.033   7.5857  270.617   7.3763 -7.584229 10.58080 
1 1 1  -30    3    2 o  382.723   5.7388  396.130   11.860  403.772   17.169  389.156   16.402  386.242   8.2260  379.205   8.0044 7.037292 11.47766 
1 1 1  -30    3    3 o   70.796   12.303   14.106   4.8136   19.500   6.9056   9.0084   6.7133   83.316   15.919   58.276   18.762 25.03987 24.60566 
1 1 1  -30    3    4 o  358.783   5.6292  348.429   10.911  343.697   15.516  353.058   15.348  356.366   8.0573  361.201   7.8633 -4.834320 11.25840 
1 1 1  -30    3    5 o  261.049   7.3966  184.381   10.434   0.0000   0.0000  184.381   10.434  ?   ?   261.049   7.3966      ?      ? 
1 1 1  -30    3    6 o  507.187   6.8236  696.343   18.691  706.980   26.949  686.481   25.947  510.903   9.7614  503.470   9.5373 7.433014 13.64721 
1 1 1  -30    3    7 o  132.101   7.6791   47.518   5.3980   58.335   7.7656   37.404   7.5087  146.755   9.7925  117.447   11.831 29.30772 15.35820 
1 1 1  -30    3    8 o  420.427   6.1070  478.509   13.874  475.428   19.610  481.597   19.632  419.070   8.6596  421.784   8.6137 -2.714111 12.21407 
1 1 1  -30    3    9 o  465.379   6.5158  586.490   16.385  581.776   23.194  591.185   23.150  463.508   9.2603  467.251   9.1689 -3.743469 13.03161 
1 1 1  -30    3   10 o  429.825   7.5298  501.570   16.636  503.604   20.591  497.748   28.229  431.284   8.8354  428.366   12.195 2.917847 15.05954 
1 1 1  -30    3   11 o  679.312   10.544  1247.44   36.310  1234.67   44.159  1274.10   63.798  674.664   12.113  683.960   17.262 -9.296204 21.08772 
1 1 1  -30    3   12 o  355.872   6.9004  345.328   12.632  335.586   21.285  350.625   15.694  351.825   11.196  359.919   8.0694 -8.093750 13.80088 
1 1 1  -30    3   13 o  366.408   6.9423  365.396   13.042  358.333   22.181  369.128   16.123  363.530   11.292  369.286   8.0796 -5.755798 13.88464 
1 1 1  -30    3   14 o   74.293   12.844   15.647   5.1567   12.533   7.2508   18.833   7.3354   66.947   19.103   81.638   17.172 -14.69028 25.68708 
1 1 1  -30    3   15 o   74.487   15.255   12.958   6.1272   23.176   11.546   8.9520   7.2292   90.221   23.462   58.752   19.505 31.46815 30.51052 
1 1 1  -30    3   16 o   52.768   15.033   3.2321   6.0951   5.4572   11.245   2.3065   7.2529   59.595   23.570   45.941   18.667 13.65436 30.06646 
1 1 1  -30    3   17 o  180.030   7.9796   89.126   7.2727   91.475   8.9174   84.459   12.568  183.758   8.9806  176.301   13.193 7.457153 15.95919 
1 1 1  -30    3   18 o  334.809   6.9792  296.853   11.717  285.658   14.022  322.748   21.327  324.792   7.9896  344.826   11.446 -20.03421 13.95841 
1 1 1  -30    3   19 o  195.994   6.1848  104.074   6.5494  104.895   9.3471  103.282   9.1798  196.750   8.7917  195.238   8.7012 1.512344 12.36957 
1 1 1  -30    3   20 o  417.439   6.1754  471.425   13.915  490.119   20.256  454.718   19.149  425.250   8.8148  409.628   8.6510 15.62228 12.35071 
1 1 1  -30    3   21 o  198.188   6.0661  106.431   6.4891  105.978   8.9575  106.931   9.4133  197.759   8.3823  198.618   8.7708 -0.8585968 12.13215 
1 1 1  -30    3   22 o  200.584   6.2085  109.080   6.7291  110.231   9.5196  107.930   9.5131  201.646   8.7366  199.523   8.8235 2.123230 12.41699 
1 1 1  -30    3   23 o   93.748   11.397   24.452   5.5503   31.275   8.0999   18.412   7.6207  107.099   13.996   80.397   17.991 26.70140 22.79392 
1 1 1  -30    3   24 o  199.880   7.6218  106.363   7.7773  102.090   9.4603  115.270   13.660  193.988   9.0249  205.772   12.285 -11.78419 15.24359 
1 1 1  -30    3   25 o  151.377   10.294   62.675   8.4016   68.063   11.964   57.432   11.801  157.863   14.025  144.891   15.073 12.97183 20.58870 
1 1 1  -30    3   26 o  115.234   20.888   37.883   12.528   0.0000   0.0000   37.883   12.528  ?   ?   115.234   20.888      ?      ? 
1 1 1  -30    3   27 o  137.692   14.732   51.937   10.961   0.0000   0.0000   51.937   10.961  ?   ?   137.692   14.732      ?      ? 
1 1 1  -30    3   28 o   94.197   15.017   25.198   7.4444   30.180   11.247   21.313   9.9315  102.489   21.013   85.905   21.458 16.58334 30.03334 
1 1 1  -30    3   29 o  169.124   6.6844   77.352   6.0926   83.622   9.0211   72.094   8.2613  175.386   9.5187  162.862   9.3873 12.52400 13.36888 
1 1 1  -30    3   30 o  268.543   5.6449  195.847   8.1812  194.383   11.845  197.183   11.313  267.549   8.1929  269.538   7.7676 -1.989014 11.28976 
1 1 1  -30    3   31 o  192.978   6.2288  101.501   6.4759  110.078   9.1344   92.833   9.1824  201.250   8.3995  184.706   9.2000 16.54402 12.45758 
1 1 1  -30    3   32 o  432.154   6.3513  507.841   14.823  522.219   21.412  494.610   20.541  437.999   9.0468  426.309   8.9168 11.68976 12.70251 
1 1 1  -30    3   33 o  346.879   5.7889  327.158   10.848  328.943   15.528  325.455   15.162  347.783   8.2626  345.975   8.1101 1.807190 11.57775 
1 1 1  -30    3   34 o   87.179   11.691   22.044   5.2960   25.726   7.1427   17.548   7.8927   96.666   13.674   77.692   18.966 18.97446 23.38131 
1 1 1  -30    3   35 o  189.987   6.2786   98.277   6.4399  104.327   9.2461   92.578   8.9749  195.684   8.7440  184.289   9.0124 11.39545 12.55715 
1 1 1  -30    3   36 o  240.255   5.7659  157.281   7.4821  151.605   10.571  162.979   10.592  235.877   8.2934  244.634   8.0126 -8.756683 11.53178 
1 1 1  -30    3   37 o   85.463   11.681   21.065   5.2498   24.864   7.3330   17.070   7.5192   94.625   14.341   76.301   18.441 18.32341 23.36155 
1 1 1  -30    3   38 o  151.147   7.0425   62.594   5.7519   62.933   8.1634   62.259   8.1056  151.552   9.9683  150.742   9.9509 0.8097992 14.08503 
1 1 1  -30    3   39 o   88.542   11.478   22.577   5.3196   27.016   7.5276   18.148   7.5187   98.511   14.141   78.574   18.083 19.93694 22.95610 
1 1 1  -30    3   40 o  289.251   5.6283  228.392   8.7953  222.919   12.298  234.122   12.583  285.703   7.9660  292.799   7.9532 -7.096466 11.25661 
1 1 1  -30    3   41 o   96.339   10.398   26.533   5.1995   21.175   7.2626   32.168   7.4474   85.186   16.372  107.492   12.821 -22.30604 20.79511 
1 1 1  -30    3   42 o   71.740   13.317   15.384   5.2355   14.153   7.3501   16.652   7.4594   68.840   19.092   74.640   18.570 -5.800087 26.63343 
1 1 1  -30    3   43 o  145.940   7.5726   58.993   5.9689   59.574   8.3399   58.384   8.5465  146.739   10.518  145.140   10.897 1.598389 15.14515 
1 1 1  -30    3   44 o  149.893   7.4021   62.102   5.9782   55.879   8.2901   68.844   8.6289  141.964   10.807  157.823   10.118 -15.85892 14.80412 
1 1 1  -30    3   45 o   39.148   12.269  -1.5831   5.1808  -0.0590   7.2454  -3.1778   7.4110   40.845   17.720   37.452   16.974 3.392372 24.53771 
1 1 1  -30    3   46 o   61.277   13.633   10.165   5.5182   17.729   8.0516   3.4656   7.5776   75.889   19.523   46.666   19.035 29.22278 27.26615 
1 1 1  -30    3   47 f  148.186   7.7767   61.250   6.2213   58.216   8.5896   64.599   9.0230  144.326   11.014  152.047   10.982 -7.721603 15.55349 
1 1 1  -30    3   48 o   41.081   12.710  -0.9539   5.4964   2.6206   7.7558  -4.5605   7.7905   45.436   18.963   36.726   16.928 8.709736 25.41963 
1 1 1  -30    3   49 o   72.234   12.401   15.010   5.6763   3.5169   7.8525   27.588   8.2149   46.952   19.290   97.517   15.590 -50.56517 24.80161 
1 1 1  -30    3   50 o   40.276   12.248  -4.1595   5.6731   6.4417   7.7307 -16.5305   8.3511   51.193   19.745   29.358   14.496 21.83569 24.49545 
1 1 1  -30    3   51 o   89.541   12.909   24.956   6.1076   28.421   8.3592   20.987   8.9454   98.280   15.740   80.802   20.465 17.47720 25.81828 
1 1 1  -30    3   52 o  191.556   7.0377  103.303   7.2793   98.879   10.072  108.140   10.532  187.269   9.9535  195.843   9.9521 -8.574570 14.07538 
1 1 1  -30    3   53 o   57.717   24.820   6.3086   13.965   0.0000   0.0000   6.3086   13.965  ?   ?    57.717   24.820      ?      ? 
1 1 1  -30    3   55 o   39.191   13.487 -14.4738   9.0052  -9.1712   13.450 -18.7815   12.123   42.801   20.483   35.581   17.550 7.219803 26.97313 
1 1 1  -30    3   56 o  106.639   12.324   36.932   6.8090   30.815   9.7856   42.674   9.4804   95.272   19.660  118.006   14.867 -22.73384 24.64863 
1 1 1  -30    3   57 o   54.203   15.124   9.1297   6.5740   12.213   9.6591   6.4688   8.9729   58.779   22.216   49.628   20.528 9.150928 30.24857 
1 1 1  -30    4    1 o  309.921   7.4147  259.891   12.417   0.0000   0.0000  259.891   12.417  ?   ?   309.921   7.4147      ?      ? 
1 1 1  -30    4    2 o  247.139   5.3583  164.804   7.1393  171.892   10.534  158.783   9.7093  252.032   7.7349  242.247   7.4172 9.785843 10.71653 
1 1 1  -30    4    3 o  136.609   7.0475   50.008   5.1704   55.593   7.8631   45.754   6.8627  143.249   10.158  129.969   9.7716 13.27975 14.09508 
1 1 1  -30    4    4 o  358.090   7.8505  347.014   15.191   0.0000   0.0000  347.014   15.191  ?   ?   358.090   7.8505      ?      ? 
1 1 1  -30    4    5 o  570.178   7.4528  880.601   22.958  863.214   32.076  898.864   32.873  564.413   10.517  575.943   10.563 -11.52966 14.90562 
1 1 1  -30    4    6 o  270.912   5.4037  198.328   7.8988  203.402   11.545  193.862   10.830  274.157   7.7931  267.667   7.4878 6.489960 10.80743 
1 1 1  -30    4    7 o  179.697   6.1395   87.428   5.9598   87.085   8.5270   87.755   8.3331  179.348   8.7986  180.046   8.5651 -0.6979218 12.27908 
1 1 1  -30    4    8 o  175.038   6.2551   83.018   5.9098   81.326   8.5075   84.595   8.2157  173.303   9.0847  176.773   8.6008 -3.469971 12.51023 
1 1 1  -30    4    9 o  736.477   11.318  1469.50   42.318  1457.87   51.568  1493.47   74.049  732.891   13.021  740.063   18.517 -7.172058 22.63672 
1 1 1  -30    4   10 o  401.785   7.2395  434.346   14.874  428.079   18.224  446.847   25.740  397.655   8.4810  405.915   11.735 -8.259705 14.47903 
1 1 1  -30    4   11 o  257.595   6.6581  176.475   8.7271  189.279   15.399  170.417   10.592  264.255   10.784  250.934   7.8117 13.32080 13.31612 
1 1 1  -30    4   12 o  501.819   8.3435  679.349   21.140  693.468   37.434  672.738   25.616  505.283   13.710  498.356   9.5122 6.926636 16.68696 
1 1 1  -30    4   13 o  303.996   5.5341  250.253   9.0861  242.827   12.911  257.539   12.789  299.516   7.9774  308.477   7.6723 -8.960999 11.06811 
1 1 1  -30    4   14 o  317.040   5.5984  271.956   9.5846  258.208   13.410  286.314   13.704  308.844   8.0353  325.236   7.7976 -16.39264 11.19684 
1 1 1  -30    4   15 o  188.362   6.3611   96.133   6.4481   95.764   9.5518   96.442   8.7400  188.008   9.4020  188.716   8.5707 -0.7081299 12.72219 
1 1 1  -30    4   16 o  226.226   7.5687  141.761   8.4010  131.599   15.276  146.168   10.059  220.103   12.844  232.349   8.0115 -12.24554 15.13739 
1 1 1  -30    4   17 o  188.386   6.4623   95.904   6.5687  101.166   9.6121   91.294   8.9975  193.217   9.2063  183.556   9.0713 9.661530 12.92453 
1 1 1  -30    4   18 o  433.588   7.6794  514.000   17.178  523.430   21.435  497.072   28.720  439.482   9.0260  427.694   12.427 11.78842 15.35877 
1 1 1  -30    4   19 o  462.403   6.5755  579.649   16.430  574.632   23.154  584.737   23.317  460.386   9.3072  464.419   9.2911 -4.032928 13.15101 
1 1 1  -30    4   20 o  169.616   6.8736   78.038   6.2860   71.311   8.7951   85.064   8.9876  162.120   10.040  177.111   9.3909 -14.99109 13.74712 
1 1 1  -30    4   21 o  193.070   6.3756  101.058   6.6487  101.499   9.5538  100.643   9.2584  193.469   9.1386  192.670   8.8927 0.7985382 12.75125 
1 1 1  -30    4   22 o  340.418   5.7832  314.007   10.635  316.392   15.247  311.746   14.842  341.667   8.2584  339.170   8.0982 2.497009 11.56644 
1 1 1  -30    4   23 o  162.218   7.2787   71.673   6.3446   62.655   8.9331   80.852   9.0127  151.842   10.887  172.595   9.6636 -20.75273 14.55746 
1 1 1  -30    4   24 o  251.236   8.0707  171.601   10.953  176.194   15.747  167.297   15.245  254.485   11.451  247.988   11.376 6.496857 16.14141 
1 1 1  -30    4   25 o  210.620   8.5749  120.765   9.7509  128.040   14.016  113.941   13.574  216.785   11.965  204.455   12.286 12.32990 17.14984 
1 1 1  -30    4   26 o   43.331   18.737  -0.7717   8.0475   0.0000   0.0000  -0.7717   8.0475  ?   ?    43.331   18.737      ?      ? 
1 1 1  -30    4   27 o  114.838   13.901   37.314   8.3432   34.955   12.454   39.234   11.238  110.325   21.664  119.350   17.424 -9.025757 27.80172 
1 1 1  -30    4   28 o  214.982   8.7220  125.751   10.085  129.820   15.103  122.478   13.548  218.026   12.820  211.939   11.830 6.087173 17.44407 
1 1 1  -30    4   29 o  255.313   5.6848  176.904   7.8398  177.889   11.260  175.978   10.922  255.988   8.1402  254.639   7.9375 1.349197 11.36956 
1 1 1  -30    4   30 f  167.444   6.6414   76.184   5.9898   77.471   8.8659   75.104   8.1242  168.702   9.7256  166.187   9.0468 2.514587 13.28276 
1 1 1  -30    4   31 o  209.878   6.0513  119.773   6.8627  119.015   9.6677  120.543   9.7433  209.210   8.5517  210.547   8.5639 -1.336929 12.10257 
1 1 1  -30    4   32 o  154.943   7.2004   65.873   5.9930   59.987   8.6783   71.239   8.2860  148.189   10.838  161.697   9.4831 -13.50774 14.40078 
1 1 1  -30    4   33 f  247.133   5.7653  166.101   7.6987  164.930   10.923  167.257   10.852  246.257   8.2088  248.010   8.0977 -1.752502 11.53065 
1 1 1  -30    4   34 o  252.398   5.6775  172.949   7.7298  178.498   11.337  168.128   10.567  256.141   8.1910  248.656   7.8642 7.484299 11.35507 
1 1 1  -30    4   35 o  290.254   5.6464  229.281   8.8556  226.430   12.510  232.145   12.538  288.434   8.0261  292.073   7.9441 -3.638641 11.29283 
1 1 1  -30    4   36 o  205.404   6.0027  115.042   6.6622  113.292   9.3794  116.824   9.4647  203.822   8.5160  206.987   8.4620 -3.164810 12.00536 
1 1 1  -30    4   37 o   74.139   12.878   16.170   5.1692   13.032   7.3474   19.245   7.2738   66.896   19.274   81.382   17.085 -14.48641 25.75585 
1 1 1  -30    4   38 o   55.556   12.876   7.6394   4.9006   1.7472   6.9654   13.415   6.8962   43.435   18.036   67.676   18.382 -24.24088 25.75252 
1 1 1  -30    4   39 o   80.953   12.284   19.186   5.2076   19.328   7.1834   19.029   7.5604   81.415   16.882   80.491   17.850 0.9241562 24.56890 
1 1 1  -30    4   40 o  182.951   6.4127   91.757   6.3374   92.164   8.8564   91.330   9.0722  183.405   8.9364  182.498   9.1996 0.9068298 12.82540 
1 1 1  -30    4   41 f   63.361   13.757   11.644   5.2231   9.2707   7.3085   14.122   7.4671   57.869   19.615   68.852   19.296 -10.98351 27.51465 
1 1 1  -30    4   42 o   67.590   13.366   13.679   5.1254   15.924   7.1307   11.279   7.3721   73.018   18.151   62.163   19.624 10.85484 26.73123 
1 1 1  -30    4   43 o   74.357   13.024   16.784   5.2939   12.592   7.5896   20.756   7.3880   64.958   19.817   83.755   16.907 -18.79770 26.04859 
1 1 1  -30    4   44 o  193.085   6.3829  102.080   6.6399  109.339   9.8663   96.071   8.9772  199.274   9.1625  186.895   8.8890 12.37846 12.76581 
1 1 1  -30    4   45 o   74.623   13.110   17.129   5.4459   11.128   7.8051   22.822   7.6022   61.507   20.259   87.738   16.644 -26.23125 26.21926 
1 1 1  -30    4   46 o   97.503   10.935   27.637   5.6047   24.306   7.8163   31.162   8.0409   90.415   16.611  104.591   14.227 -14.17686 21.87061 
1 1 1  -30    4   47 o  162.282   7.2224   73.300   6.3320   75.444   9.0080   71.206   8.9027  164.670   10.123  159.894   10.304 4.775909 14.44483 
1 1 1  -30    4   48 f   43.773   13.271   1.1129   5.6162   1.8699   8.0978   0.4114   7.7957   45.096   19.131   42.449   18.398 2.647396 26.54198 
1 1 1  -30    4   49 o   73.728   14.081   17.070   5.7383   16.667   7.9553   17.506   8.2851   72.905   19.718   74.551   20.106 -1.646217 28.16102 
1 1 1  -30    4   50 o  168.371   7.3873   79.686   6.7052   84.430   9.3896   74.748   9.5784  173.755   10.000  162.986   10.876 10.76952 14.77464 
1 1 1  -30    4   51 o   70.292   13.396   14.959   5.8710   25.696   8.5324   5.3047   8.0908   91.044   17.981   49.541   19.861 41.50289 26.79156 
1 1 1  -30    4   52 o  110.977   10.728   36.676   6.4244   34.151   8.9459   39.364   9.2317  106.810   15.500  115.144   14.837 -8.333199 21.45658 
1 1 1  -30    4   55 o   34.782   12.042 -13.5591   7.2584 -15.8307   9.3324 -10.0811   11.548   30.987   15.306   38.576   18.594 -7.588097 24.08302 
1 1 1  -30    4   56 o   42.443   13.281  -2.2787   6.5079   7.0731   9.3097 -11.2156   9.1009   51.550   21.071   33.336   16.174 18.21476 26.56231 
1 1 1  -30    4   57 o   66.285   14.593   15.630   6.4888   6.6640   9.1385   24.748   9.2150   49.612   20.635   82.959   20.640 -33.34684 29.18589 
1 1 1  -30    5    1 o  338.179   7.5609  309.476   13.817   0.0000   0.0000  309.476   13.817  ?   ?   338.179   7.5609      ?      ? 
1 1 1  -30    5    2 o  132.289   7.3027   47.583   5.1764   46.067   7.7746   48.791   6.9378  130.362   11.037  134.215   9.5661 -3.852768 14.60538 
1 1 1  -30    5    3 f  371.584   5.7262  373.879   11.490  368.684   16.490  378.781   16.018  369.060   8.2688  374.107   7.9237 -5.047424 11.45243 
1 1 1  -30    5    4 o  260.790   5.3829  184.209   7.5782  176.073   10.769  192.191   10.666  255.070   7.8133  266.511   7.4064 -11.44151 10.76574 
1 1 1  -30    5    5 o  194.223   5.8936  101.397   6.1637  112.576   9.1634   92.159   8.3297  203.932   8.3154  184.514   8.3543 19.41801 11.78726 
1 1 1  -30    5    6 o  127.406   7.8244   43.747   5.3556   50.938   7.8797   37.573   7.3013  137.096   10.636  117.716   11.478 19.38010 15.64880 
1 1 1  -30    5    7 o  242.774   5.6087  158.791   7.3230  166.660   11.003  152.533   9.8119  248.134   8.2058  237.414   7.6482 10.72025 11.21741 
1 1 1  -30    5    8 o  191.370   6.3287   99.157   6.5219  110.483   9.3578   88.459   9.0945  202.013   8.5725  180.727   9.3126 21.28548 12.65749 
1 1 1  -30    5    9 o  349.164   6.8876  329.414   12.398  327.438   15.360  333.108   21.004  347.802   8.1726  350.526   11.089 -2.724213 13.77513 
1 1 1  -30    5   10 o  417.926   7.3840  476.934   15.877  461.487   26.709  485.377   19.745  412.448   11.984  423.403   8.6302 -10.95407 14.76790 
1 1 1  -30    5   11 o   46.516   12.657   0.6009   5.5933 -15.8401   9.6045   9.0382   6.8804   34.519   16.716   58.513   19.009 -23.99419 25.31376 
1 1 1  -30    5   12 o  487.370   6.7042  643.534   17.654  638.330   25.101  648.628   24.834  485.408   9.5697  489.332   9.3918 -3.924438 13.40842 
1 1 1  -30    5   13 o  553.694   7.3431  830.940   21.964  834.942   31.467  827.138   30.673  554.975   10.493  552.413   10.275 2.561951 14.68618 
1 1 1  -30    5   14 o  213.087   5.9604  122.708   6.8521  127.152   10.038  118.830   9.3766  216.684   8.5729  209.490   8.2831 7.194687 11.92075 
1 1 1  -30    5   15 o  164.429   6.7924   73.424   6.0153   71.178   8.7929   75.400   8.2472  162.038   10.042  166.821   9.1489 -4.783249 13.58484 
1 1 1  -30    5   16 o   93.795   11.380   24.554   5.5895   22.531   8.2259   26.290   7.6185   89.305   17.672   98.285   14.345 -8.979919 22.76098 
1 1 1  -30    5   17 o  289.931   7.1823  224.569   10.176  236.036   19.228  220.108   11.993  294.764   12.072  285.099   7.7850 9.665131 14.36450 
1 1 1  -30    5   18 o   35.886   11.720  -6.0918   5.3227  -5.1105   7.6279  -7.0230   7.4309   37.149   16.984   34.624   16.154 2.525032 23.43961 
1 1 1  -30    5   19 f  182.940   8.1458   91.592   7.5501   92.896   9.2344   88.964   13.113  185.097   9.2326  180.782   13.423 4.315430 16.29161 
1 1 1  -30    5   20 o  207.138   6.1124  115.523   6.8145  130.739   10.079  102.708   9.2491  219.631   8.4921  194.645   8.7936 24.98547 12.22472 
1 1 1  -30    5   21 o  205.490   6.1730  114.459   6.8529  115.644   9.8154  113.331   9.5722  206.522   8.7953  204.457   8.6641 2.065002 12.34599 
1 1 1  -30    5   22 o  546.662   7.3284  811.377   21.645  797.266   30.305  826.071   30.925  541.815   10.351  551.509   10.377 -9.693848 14.65686 
1 1 1  -30    5   23 o  121.498   11.841   40.860   7.6937   44.640   10.504   36.486   11.301  127.771   15.214  115.225   18.150 12.54591 23.68278 
1 1 1  -30    5   24 o  253.569   8.1128  175.018   11.112  168.333   15.631  181.847   15.798  248.648   11.634  258.490   11.311 -9.842163 16.22557 
1 1 1  -30    5   25 o  443.453   9.1247  536.452   21.858  521.396   30.440  552.477   31.405  437.040   12.890  449.867   12.919 -12.82715 18.24935 
1 1 1  -30    5   26 o   72.950   16.759   14.212   7.9800   6.8108   11.913   20.234   10.747   62.118   24.357   83.782   23.027 -21.66359 33.51877 
1 1 1  -30    5   27 o  106.494   14.170   33.578   7.7202   24.324   11.814   40.473   10.199   91.540   23.699  121.448   15.541 -29.90748 28.33994 
1 1 1  -30    5   28 o  371.611   7.3162  374.679   13.991  372.012   17.296  379.730   23.797  370.113   8.6481  373.108   11.803 -2.995697 14.63243 
1 1 1  -30    5   29 o  180.330   6.4587   88.418   6.2919   88.406   9.0033   88.428   8.7964  180.305   9.2407  180.354   9.0259 -0.4914856E-01 12.91732 
1 1 1  -30    5   30 o  149.181   7.5038   60.825   6.0310   55.533   8.5380   66.095   8.5202  142.628   11.078  155.734   10.125 -13.10556 15.00770 
1 1 1  -30    5   31 o  270.241   5.6932  197.656   8.2917  209.737   12.286  187.551   11.237  277.766   8.1853  262.716   7.9152 15.04990 11.38640 
1 1 1  -30    5   32 f  430.529   6.3267  504.534   14.712  508.351   21.173  500.971   20.456  432.058   9.0689  429.000   8.8242 3.058197 12.65349 
1 1 1  -30    5   33 o  100.576   10.582   28.491   5.5523   33.126   7.8471   23.843   7.8572  109.761   13.230   91.391   16.518 18.36958 21.16353 
1 1 1  -30    5   34 f  326.476   5.7884  290.111   10.210  287.520   14.537  292.635   14.343  325.011   8.2771  327.942   8.0941 -2.930878 11.57688 
1 1 1  -30    5   35 o  134.609   8.0157   49.713   5.8277   50.029   8.3834   49.416   8.1068  134.995   11.492  134.223   11.177 0.7720032 16.03143 
1 1 1  -30    5   36 o  105.953   9.9485   32.043   5.3584   22.845   7.5378   41.440   7.6188   89.138   16.248  122.767   11.485 -33.62917 19.89703 
1 1 1  -30    5   37 o   93.274   10.593   24.836   5.1018   30.938   7.2796   18.945   7.1523  105.808   12.732   80.739   16.934 25.06852 21.18659 
1 1 1  -30    5   38 f   86.052   11.501   21.191   5.1719   29.041   7.5783   14.348   7.0759  102.248   13.716   69.856   18.465 32.39211 23.00208 
1 1 1  -30    5   39 f   63.775   12.615   10.017   5.2603   21.249   7.8995   1.0693   7.0510   85.082   17.756   42.468   17.924 42.61430 25.23001 
1 1 1  -30    5   40 o   50.683   13.462   5.3566   5.1910   1.6520   7.3701   9.0037   7.3126   44.024   18.439   57.343   19.619 -13.31832 26.92438 
1 1 1  -30    5   41 o   97.010   11.108   27.432   5.5382   34.121   7.7990   20.628   7.8658  110.593   13.050   83.428   17.978 27.16579 22.21545 
1 1 1  -30    5   42 o   31.570   10.648  -9.3066   5.1295  -5.6512   7.0982 -13.3022   7.4211   34.099   15.869   29.042   14.203 5.057192 21.29652 
1 1 1  -30    5   43 o  161.780   7.0638   72.331   6.1710   73.938   8.6353   70.653   8.8218  163.697   9.7622  159.863   10.212 3.833710 14.12764 
1 1 1  -30    5   44 o  123.268   8.7352   42.423   5.8041   38.472   8.0222   46.764   8.4080  117.146   12.673  129.389   12.026 -12.24237 17.47050 
1 1 1  -30    5   45 o  138.964   8.0711   53.955   6.0252   46.777   8.4064   61.539   8.6404  129.198   12.041  148.730   10.751 -19.53244 16.14218 
1 1 1  -30    5   46 o   47.394   13.700   3.4750   5.6074   1.6991   7.9537   5.2299   7.9067   44.729   18.966   50.059   19.775 -5.330322 27.39994 
1 1 1  -30    5   47 o  134.247   8.9217   51.002   6.4709   51.843   9.1266   50.152   9.1759  135.430   12.471  133.065   12.761 2.364532 17.84330 
1 1 1  -30    5   48 o   89.484   12.912   24.397   6.0294   23.342   8.3580   25.542   8.7062   87.406   18.284   91.561   18.237 -4.154274 25.82424 
1 1 1  -30    5   49 o   81.598   13.527   20.838   5.8578   21.305   8.0997   20.325   8.4819   82.882   18.548   80.314   19.695 2.567673 27.05380 
1 1 1  -30    5   50 o   42.715   13.078   0.6585   5.5883   2.2799   7.9015  -0.9642   7.9046   44.819   18.949   40.612   18.031 4.206406 26.15655 
1 1 1  -30    5   51 o   56.250   14.552   9.0151   5.8171   11.876   8.5689   6.5694   7.9225   61.391   21.226   51.109   19.912 10.28191 29.10389 
1 1 1  -30    5   52 o   83.481   16.812   23.947   7.5952   23.019   9.1579   25.991   13.594   83.446   20.465   83.517   26.679 -0.7116699E-01 33.62464 
1 1 1  -30    5   55 o   31.566   11.027 -16.0715   6.8495 -17.7305   9.5637 -14.3244   9.8144   30.465   15.126   32.668   16.050 -2.202942 22.05431 
1 1 1  -30    5   56 o   40.965   13.231  -1.9015   6.5228  -0.2947   9.4934  -3.3385   8.9775   42.920   19.353   39.010   18.047 3.910397 26.46196 
1 1 1  -30    5   57 o   95.890   13.793   32.215   7.0065   28.509   10.116   35.633   9.7140   87.694   21.510  104.086   17.271 -16.39205 27.58548 
1 1 1  -30    6    1 o   59.792   12.823   9.0067   4.7729   14.761   7.0733   4.1964   6.4673   72.183   18.152   47.402   18.116 24.78079 25.64524 
1 1 1  -30    6    2 o   87.835   10.963   21.846   4.9819   17.790   7.3844   25.234   6.7493   79.258   17.690   96.412   12.955 -17.15455 21.92652 
1 1 1  -30    6    3 o  249.138   5.4660  168.156   7.3508  160.690   10.460  175.441   10.332  243.657   7.9445  254.619   7.5096 -10.96199 10.93206 
1 1 1  -30    6    4 o  295.519   5.4953  235.661   8.7516  245.383   12.954  227.500   11.870  301.096   7.9620  289.941   7.5762 11.15448 10.99056 
1 1 1  -30    6    5 o  199.811   6.0627  107.634   6.5313  117.583   9.5826   99.002   8.9258  208.401   8.5093  191.221   8.6382 17.18008 12.12547 
1 1 1  -30    6    6 o  751.406   9.4040  1532.56   38.175  1505.78   53.304  1560.76   54.698  744.685   13.247  758.128   13.352 -13.44305 18.80802 
1 1 1  -30    6    7 o  213.042   5.9121  122.025   6.7794  137.849   10.038  108.756   9.1923  225.659   8.2323  200.424   8.4876 25.23447 11.82416 
1 1 1  -30    6    8 o  231.323   6.6996  145.207   8.1486  146.076   10.405  143.829   13.104  232.290   8.2895  230.356   10.527 1.933762 13.39914 
1 1 1  -30    6    9 o  201.709   8.4802  110.161   9.2432   0.0000   0.0000  110.161   9.2432  ?   ?   201.709   8.4802      ?      ? 
1 1 1  -30    6   10 f  296.789   6.6176  236.397   9.9711  245.045   17.537  232.266   12.121  300.634   10.795  292.943   7.6571 7.691498 13.23517 
1 1 1  -30    6   11 o   71.227   13.647   14.085   5.4214   17.534   8.0231   11.187   7.3545   78.573   19.086   63.880   19.511 14.69209 27.29408 
1 1 1  -30    6   12 o  221.134   5.8717  131.845   6.9750  137.400   10.536  127.511   9.3065  225.242   8.6563  217.026   7.9357 8.215729 11.74339 
1 1 1  -30    6   13 o  176.437   6.7085   84.382   6.3720   84.079   9.4184   84.638   8.6530  176.121   9.8964  176.752   9.0597 -0.6307831 13.41702 
1 1 1  -30    6   14 o  533.190   7.1835  769.781   20.665  789.523   30.216  752.433   28.325  539.565   10.364  526.815   9.9501 12.74963 14.36691 
1 1 1  -30    6   15 o  214.373   8.0694  124.461   9.3475   0.0000   0.0000  124.461   9.3475  ?   ?   214.373   8.0694      ?      ? 
1 1 1  -30    6   16 f   83.356   12.233   20.012   5.4659   11.309   7.7849   28.473   7.6762   64.434   20.140  102.278   13.889 -37.84413 24.46506 
1 1 1  -30    6   17 o   79.947   13.304   18.476   5.6639   15.316   8.4572   21.047   7.6269   73.591   20.504   86.303   16.959 -12.71205 26.60878 
1 1 1  -30    6   18 o   79.425   15.849   15.673   6.3913   23.536   12.808   13.066   7.3752   90.753   25.214   68.098   19.209 22.65556 31.69765 
1 1 1  -30    6   19 o  270.101   5.8244  197.699   8.4991  197.643   12.142  197.753   11.901  270.056   8.3202  270.147   8.1527 -0.9097290E-01 11.64872 
1 1 1  -30    6   20 o  329.591   7.1032  298.562   12.082  308.009   15.138  281.982   20.053  337.104   8.3102  322.077   11.522 15.02734 14.20647 
1 1 1  -30    6   21 o  109.043   9.7119   32.332   5.6880   37.521   8.2759   27.687   7.8307  117.359   13.050  100.726   14.387 16.63365 19.42386 
1 1 1  -30    6   22 o  276.338   7.7697  206.678   11.576  191.824   15.770  224.031   17.046  265.621   10.987  287.055   10.989 -21.43365 15.53934 
1 1 1  -30    6   23 o  361.351   8.2461  354.827   16.079  368.243   23.500  343.018   22.048  367.722   11.827  354.981   11.494 12.74051 16.49210 
1 1 1  -30    6   24 o  255.103   8.0201  176.290   11.026  191.374   16.321  163.626   14.954  265.078   11.394  245.127   11.290 19.95146 16.04023 
1 1 1  -30    6   25 o  138.532   8.2436   53.262   6.0431   46.261   9.1385   58.702   8.0560  130.148   12.994  146.915   10.148 -16.76706 16.48710 
1 1 1  -30    6   26 f  313.329   8.2857  266.719   13.973  277.027   20.863  258.333   18.817  318.706   12.114  307.951   11.308 10.75543 16.57142 
1 1 1  -30    6   27 o  242.226   8.4969  159.891   11.102  163.040   16.258  157.140   15.197  244.401   12.310  240.052   11.715 4.348541 16.99379 
1 1 1  -30    6   28 o   55.175   14.753   6.2591   6.1017   8.5314   7.9311   2.9640   9.5510   58.335   20.407   52.014   21.310 6.320755 29.50565 
1 1 1  -30    6   29 o   51.005   13.244   5.1966   5.0556   0.7853   7.2746   9.3174   7.0309   43.231   18.224   58.780   19.222 -15.54866 26.48777 
1 1 1  -30    6   30 o  233.799   5.7565  146.961   7.2244  162.583   11.020  135.187   9.5672  244.543   8.3394  223.055   7.9375 21.48788 11.51298 
1 1 1  -30    6   31 f  398.983   6.1296  432.739   13.203  442.499   19.167  423.927   18.213  403.217   8.7970  394.748   8.5382 8.468872 12.25923 
1 1 1  -30    6   32 o  257.213   5.7104  179.759   7.9231  182.317   11.585  177.511   10.860  258.888   8.2811  255.538   7.8649 3.350388 11.42074 
1 1 1  -30    6   33 o  103.354   9.7264   29.082   5.3991   33.505   8.1532   25.628   7.2054  110.279   13.682   96.430   13.828 13.84924 19.45274 
1 1 1  -30    6   34 o  302.270   5.6885  248.460   9.2822  254.083   13.487  243.399   12.794  305.481   8.1703  299.060   7.9173 6.421692 11.37704 
1 1 1  -30    6   35 o  228.073   5.8264  141.878   7.1580  140.493   10.521  143.072   9.7672  226.952   8.5786  229.193   7.8864 -2.241638 11.65280 
1 1 1  -30    6   36 o  111.001   9.3202   34.962   5.4097   25.657   7.7880   43.638   7.5201   95.968   15.018  126.033   11.042 -30.06453 18.64044 
1 1 1  -30    6   37 o   79.070   12.481   18.437   5.2348   22.542   7.3669   14.251   7.4398   88.491   15.995   69.649   19.165 18.84122 24.96296 
1 1 1  -30    6   38 o   62.565   13.916   11.224   5.2368   10.998   7.7682   11.412   7.0902   62.303   20.196   62.828   19.150 -0.5250435 27.83161 
1 1 1  -30    6   39 o   47.093   13.041   3.1218   5.0698   7.8440   7.3633  -1.1344   6.9906   55.064   19.626   39.122   17.180 15.94231 26.08265 
1 1 1  -30    6   40 o   65.942   13.597   12.915   5.1681   11.375   7.5744   14.256   7.0694   62.653   19.904   69.230   18.531 -6.576180 27.19465 
1 1 1  -30    6   41 o   94.549   10.761   25.260   5.4930   25.505   7.9504   25.036   7.5982   94.910   15.502   94.189   14.929 0.7205429 21.52165 
1 1 1  -30    6   42 f  128.211   8.4461   45.755   5.8481   47.838   8.4210   43.815   8.1279  131.043   11.892  125.378   11.997 5.664917 16.89223 
1 1 1  -30    6   43 o  104.672   10.430   31.123   5.8797   33.744   8.2904   28.471   8.3403  109.349   14.030   99.995   15.435 9.353989 20.85907 
1 1 1  -30    6   44 o  128.174   8.6129   46.017   5.9616   45.453   8.5503   46.551   8.3166  127.317   12.428  129.031   11.928 -1.713905 17.22587 
1 1 1  -30    6   45 o  150.577   7.8115   62.678   6.3267   69.653   9.5112   57.143   8.4730  157.983   11.141  143.171   10.952 14.81178 15.62294 
1 1 1  -30    6   46 o   56.811   13.659   7.7188   5.6152   15.778   8.1412   0.4061   7.7550   71.184   20.218   42.438   18.372 28.74590 27.31831 
1 1 1  -30    6   47 o   85.114   13.319   22.223   5.9577   20.489   8.1460   24.217   8.7358   81.457   18.876   88.771   18.797 -7.313751 26.63864 
1 1 1  -30    6   48 f  146.686   8.0883   60.484   6.4030   64.047   9.0744   56.951   9.0362  151.150   11.110  142.222   11.758 8.927872 16.17661 
1 1 1  -30    6   49 o   78.532   14.217   19.719   6.1086   16.652   8.7014   22.699   8.5776   71.969   21.044   85.096   19.120 -13.12666 28.43314 
1 1 1  -30    6   50 o   42.150   13.227  -1.6611   6.1591   2.6241   8.7013  -5.9639   8.7193   46.805   19.842   37.495   17.495 9.310135 26.45321 
1 1 1  -30    6   51 o  162.526   7.9761   75.636   6.9596   66.497   9.8703   84.672   9.8147  152.152   12.005  172.899   10.505 -20.74632 15.95229 
1 1 1  -30    6   52 o   32.195   16.165 -30.9009   12.352   0.0000   0.0000 -30.9009   12.352  ?   ?    32.195   16.165      ?      ? 
1 1 1  -30    6   54 o   65.720   26.498   15.838   14.491   0.0000   0.0000   15.838   14.491  ?   ?    65.720   26.498      ?      ? 
1 1 1  -30    6   55 o   56.209   14.325   7.6837   6.6699   20.064   9.5837  -3.9458   9.2885   73.640   22.224   38.779   18.082 34.86071 28.65099 
1 1 1  -30    6   56 o  104.748   12.784   35.667   6.9344   45.973   10.206   26.830   9.4508  121.647   15.526   87.848   20.314 33.79884 25.56810 
1 1 1  -30    6   57 o   50.780   14.328   5.9381   6.6733  -3.5506   9.4308   15.453   9.4440   38.564   18.059   62.996   22.250 -24.43185 28.65681 
1 1 1  -30    7    1 o   70.318   12.666   14.179   4.8875   10.892   7.1906   17.001   6.6634   63.070   19.298   77.566   16.410 -14.49691 25.33156 
1 1 1  -30    7    2 o  248.055   5.5305  166.324   7.3893  169.340   10.939  163.793   10.022  250.104   8.0939  246.006   7.5388 4.097824 11.06092 
1 1 1  -30    7    3 o  266.230   5.5569  191.498   7.9703  196.318   11.797  187.450   10.811  269.291   8.1070  263.169   7.6021 6.121246 11.11379 
1 1 1  -30    7    4 o  214.368   5.8778  124.466   6.7925  123.691   9.9383  125.145   9.3050  213.725   8.6053  215.010   8.0089 -1.284485 11.75556 
1 1 1  -30    7    5 o   72.766   12.787   15.073   5.0059   13.958   7.3651   16.030   6.8246   70.316   18.954   75.215   17.169 -4.898788 25.57390 
1 1 1  -30    7    6 o   92.999   10.647   23.832   5.2047   27.300   7.5407   20.677   7.1927  100.225   13.924   85.773   16.110 14.45229 21.29323 
1 1 1  -30    7    7 o  366.924   6.9815  366.215   13.378  370.273   16.925  359.459   21.838  369.788   8.4702  364.060   11.101 5.727936 13.96307 
1 1 1  -30    7    8 o  265.482   10.484  191.081   15.041   0.0000   0.0000  191.081   15.041  ?   ?   265.482   10.484      ?      ? 
1 1 1  -30    7    9 o  468.741   7.9277  599.311   19.075  585.360   32.323  606.766   23.629  464.231   12.885  473.250   9.2398 -9.018494 15.85549 
1 1 1  -30    7   10 o  250.181   5.7157  169.123   7.6911  172.984   11.499  165.997   10.346  252.737   8.4201  247.626   7.7316 5.111404 11.43136 
1 1 1  -30    7   11 o  157.326   6.9410   67.134   5.8716   66.679   8.7340   67.510   7.9312  156.813   10.307  157.839   9.2990 -1.026657 13.88206 
1 1 1  -30    7   12 o  211.848   5.9892  121.681   6.8316  120.145   10.063  122.994   9.3041  210.582   8.8435  213.113   8.0793 -2.531052 11.97844 
1 1 1  -30    7   13 o  293.013   5.6694  231.900   8.9323  238.542   13.392  226.578   11.989  296.753   8.3512  289.273   7.6697 7.479645 11.33872 
1 1 1  -30    7   14 o  241.607   5.8465  157.307   7.5855  165.216   11.493  151.203   10.097  246.933   8.6133  236.281   7.9082 10.65144 11.69305 
1 1 1  -30    7   15 o  270.910   5.6865  199.148   8.3004  193.809   12.116  203.870   11.394  267.453   8.3834  274.368   7.6854 -6.915527 11.37308 
1 1 1  -30    7   16 o  142.987   7.5935   55.498   5.8409   55.579   8.6826   55.431   7.8942  143.050   11.232  142.925   10.222 0.1253357 15.18705 
1 1 1  -30    7   17 o  115.740   9.0090   36.721   5.5756   34.205   8.3384   38.756   7.4984  112.059   13.771  119.421   11.620 -7.362007 18.01801 
1 1 1  -30    7   18 o   68.669   14.342   14.399   6.2801  -1.1041   12.445   19.696   7.2741   53.921   23.308   83.418   16.720 -29.49698 28.68490 
1 1 1  -30    7   19 o   51.172   15.269   1.7770   6.6332  -2.6869   13.132   3.3059   7.6856   53.805   23.589   48.538   19.393 5.266846 30.53758 
1 1 1  -30    7   20 o  346.509   7.1831  330.048   12.969  342.129   16.474  310.360   21.030  355.202   8.5829  337.817   11.521 17.38458 14.36623 
1 1 1  -30    7   21 o   64.047   23.095   9.6937   10.225   9.6937   10.225   0.0000   0.0000   64.047   23.095  ?   ?       ?      ? 
1 1 1  -30    7   22 o  179.219   9.1299   87.553   8.8108   97.815   12.680   77.973   12.251  189.434   12.388  169.004   13.415 20.42996 18.25984 
1 1 1  -30    7   23 o  102.937   14.100   30.119   7.6218   44.414   11.164   17.637   10.431  127.171   16.246   78.703   23.049 48.46838 28.19919 
1 1 1  -30    7   24 o  267.384   5.8699  193.676   8.4449  197.626   12.592  190.448   11.385  269.809   8.6364  264.960   7.9519 4.849060 11.73970 
1 1 1  -30    7   25 o  144.064   10.752   63.500   7.0479   43.919   13.123   71.437   8.3551  125.998   19.274  162.130   9.5367 -36.13256 21.50472 
1 1 1  -30    7   26 o   65.279   16.550   9.9764   7.8473   1.3649   12.747   15.232   9.9580   56.864   24.056   73.694   22.737 -16.83026 33.10017 
1 1 1  -30    7   27 o   88.788   16.798   23.375   8.3299   17.869   12.670   27.568   11.055   80.015   25.776   97.561   21.546 -17.54641 33.59525 
1 1 1  -30    7   28 o   76.514   13.026   16.916   5.3840   20.899   7.6379   12.983   7.5906   85.499   17.129   67.529   19.629 17.97042 26.05202 
1 1 1  -30    7   29 o  268.178   5.7199  195.863   8.2486  190.851   12.195  200.091   11.199  264.924   8.5185  271.432   7.6356 -6.508423 11.43972 
1 1 1  -30    7   30 f  153.168   7.3949   62.850   6.0309   80.312   9.1804   49.592   7.9991  171.619   9.8993  134.716   10.988 36.90318 14.78989 
1 1 1  -30    7   31 o   83.106   12.119   19.952   5.2404   18.792   7.7803   20.916   7.0899   80.566   18.289   85.646   15.905 -5.079895 24.23773 
1 1 1  -30    7   32 o  167.391   6.9843   76.847   6.2751   72.557   9.2679   80.478   8.5270  162.942   10.526  171.839   9.1830 -8.896805 13.96859 
1 1 1  -30    7   33 o  216.405   5.9303  126.602   6.9025  137.111   10.392  118.306   9.2335  224.344   8.5723  208.467   8.1968 15.87756 11.86052 
1 1 1  -30    7   34 o  248.664   5.7433  168.355   7.7092  170.656   11.193  166.279   10.634  250.240   8.2772  247.089   7.9643 3.150787 11.48664 
1 1 1  -30    7   35 o  139.734   7.7254   53.729   5.7952   52.502   8.6468   54.729   7.8086  138.145   11.583  141.324   10.225 -3.179657 15.45077 
1 1 1  -30    7   36 o   49.741   13.585   4.8104   5.2516   2.5800   7.6977   6.7525   7.1827   46.560   19.110   52.922   19.314 -6.362480 27.17030 
1 1 1  -30    7   37 o  189.398   6.3712   97.853   6.4882  100.676   9.7278   95.591   8.7081  191.754   9.3882  187.043   8.6157 4.710495 12.74246 
1 1 1  -30    7   38 o  105.431   9.7340   31.023   5.5381   30.328   7.9835   31.667   7.6888  104.192   14.180  106.670   13.339 -2.477661 19.46799 
1 1 1  -30    7   39 o  278.861   5.8035  212.310   8.7364  222.180   12.702  203.448   12.036  284.983   8.2480  272.738   8.1665 12.24487 11.60697 
1 1 1  -30    7   40 o   58.260   13.868   9.3786   5.2736   6.5915   7.6421   11.912   7.2867   52.856   19.807   63.664   19.416 -10.80798 27.73604 
1 1 1  -30    7   41 f  190.070   6.4920   99.734   6.6413   91.967   9.5426  107.029   9.2488  182.684   9.6667  197.455   8.6681 -14.77106 12.98390 
1 1 1  -30    7   42 o   76.492   12.911   17.995   5.5990   10.277   8.3490   24.303   7.5478   60.465   20.950   92.519   15.097 -32.05411 25.82295 
1 1 1  -30    7   43 o  160.503   7.5072   71.470   6.4970   77.497   9.2608   65.628   9.1173  167.313   10.243  153.694   10.978 13.61945 15.01450 
1 1 1  -30    7   44 o  150.369   7.9464   62.380   6.3897   76.343   9.5426   51.030   8.6031  165.696   10.658  135.042   11.790 30.65379 15.89282 
1 1 1  -30    7   45 o   89.315   11.966   23.826   5.7017   41.423   8.5014   9.4383   7.6869  121.035   12.998   57.596   20.094 63.43865 23.93145 
1 1 1  -30    7   46 o   46.909   13.557   3.1258   5.6059  -0.4456   8.0725   6.4524   7.7909   42.034   18.460   51.783   19.861 -9.749062 27.11496 
1 1 1  -30    7   47 o   45.156   13.074  -1.1162   5.7003   9.5159   8.6233  -9.3675   7.5967   58.322   21.181   31.990   15.332 26.33186 26.14755 
1 1 1  -30    7   48 o  155.863   7.8472   67.695   6.5689   79.038   9.7531   58.278   8.8869  167.898   10.750  143.828   11.435 24.06931 15.69432 
1 1 1  -30    7   49 f   61.753   13.974   10.583   6.0037   1.8965   8.4399   19.482   8.5421   45.396   19.401   78.109   20.116 -32.71345 27.94779 
1 1 1  -30    7   50 o  145.954   8.6117   60.569   6.7711   65.137   10.070   56.798   9.1479  150.834   12.355  141.074   12.000 9.759857 17.22334 
1 1 1  -30    7   51 o  238.456   6.6737  159.775   8.5992  159.535   12.173  160.014   12.149  238.260   9.4551  238.651   9.4208 -0.3912354 13.34730 
1 1 1  -30    7   54 f   50.382   15.696   5.0071   8.2357   6.3985   10.372   2.6329   13.548   50.648   21.574   50.115   22.805 0.5330048 31.39209 
1 1 1  -30    7   55 o   53.741   14.660   7.5453   6.4531   14.622   9.3206   1.0304   8.9431   64.111   22.140   43.371   19.221 20.73969 29.31915 
1 1 1  -30    7   56 o   54.868   14.810   9.5020   6.5794   2.7621   9.4275   15.902   9.1864   44.980   19.844   64.756   21.990 -19.77575 29.62033 
1 1 1  -30    8    1 o   83.757   11.481   20.035   5.0031   16.091   7.5384   23.140   6.6884   75.256   18.636   92.259   13.416 -17.00356 22.96250 
1 1 1  -30    8    2 o  278.042   5.6260  209.913   8.4281  198.128   12.157  220.819   11.695  270.479   8.3177  285.605   7.5778 -15.12549 11.25196 
1 1 1  -30    8    3 o  277.453   5.5358  208.851   8.2781  201.098   12.010  215.868   11.426  272.513   8.1559  282.393   7.4875 -9.879700 11.07166 
1 1 1  -30    8    4 o  157.156   6.6527   66.788   5.6341   68.751   8.3294   65.131   7.6495  159.267   9.6783  155.044   9.1304 4.222290 13.30543 
1 1 1  -30    8    5 o  217.322   5.9070  128.521   6.8915  121.590   10.181  134.382   9.3622  211.855   8.8936  222.790   7.7766 -10.93558 11.81408 
1 1 1  -30    8    6 o  411.217   7.4012  451.472   15.633  436.454   19.168  481.306   27.017  401.383   8.8377  421.050   11.875 -19.66672 14.80235 
1 1 1  -30    8    7 o  401.588   7.3513  435.588   15.309  431.099   19.083  443.694   25.643  398.904   8.8531  404.272   11.738 -5.368744 14.70256 
1 1 1  -30    8    8 o  185.584   7.1836   93.375   6.8924   93.468   11.574   93.323   8.5796  185.557   11.543  185.610   8.5541 -0.5290222E-01 14.36713 
1 1 1  -30    8    9 o  124.329   8.9111   40.410   5.8479   49.707   9.6167   34.955   7.3663  135.213   13.162  113.446   12.016 21.76686 17.82223 
1 1 1  -30    8   10 o  106.558   10.044   31.339   5.3844   44.464   7.9945   20.441   7.2844  127.967   11.561   85.149   16.427 42.81794 20.08742 
1 1 1  -30    8   11 o  351.305   5.8451  334.337   11.077  334.026   16.136  334.615   15.234  351.123   8.5045  351.486   8.0209 -0.3631592 11.69018 
1 1 1  -30    8   12 o  372.214   6.0043  375.741   12.062  366.847   17.369  384.024   16.762  367.925   8.7363  376.503   8.2391 -8.577881 12.00857 
1 1 1  -30    8   13 o  163.084   7.1891   73.255   6.2371   61.041   9.0721   84.204   8.5889  149.924   11.198  176.245   9.0185 -26.32083 14.37824 
1 1 1  -30    8   14 o  276.401   5.7678  207.232   8.5749  204.363   12.705  209.632   11.621  274.603   8.5621  278.199   7.7304 -3.596252 11.53550 
1 1 1  -30    8   15 o  210.786   6.1710  119.159   6.9511  128.770   10.814  112.392   9.0740  217.915   9.1837  203.658   8.2454 14.25763 12.34207 
1 1 1  -30    8   16 o  172.256   6.8661   81.434   6.3125   72.577   9.3536   88.842   8.5542  163.487   10.588  181.025   8.7449 -17.53717 13.73224 
1 1 1  -30    8   17 o  282.921   5.7287  217.355   8.7390  208.255   12.608  225.770   12.124  277.176   8.4179  288.666   7.7724 -11.48999 11.45735 
1 1 1  -30    8   18 o  204.295   6.3771  113.667   6.9691  109.780   10.533  116.693   9.2941  201.114   9.6925  207.477   8.2900 -6.363007 12.75416 
1 1 1  -30    8   19 o  205.503   8.5719  113.512   8.3909  118.063   16.471  111.917   9.7510  207.892   14.662  203.113   8.8843 4.778244 17.14385 
1 1 1  -30    8   20 o  111.014   17.677   33.874   10.604   0.0000   0.0000   33.874   10.604  ?   ?   111.014   17.677      ?      ? 
1 1 1  -30    8   21 o  128.187   16.387   45.113   11.351   45.113   11.351   0.0000   0.0000  128.187   16.387  ?   ?       ?      ? 
1 1 1  -30    8   22 o  125.175   16.726   43.086   11.313   43.086   11.313   0.0000   0.0000  125.175   16.726  ?   ?       ?      ? 
1 1 1  -30    8   23 o  158.248   7.3632   66.472   6.1955   77.480   9.9003   59.386   7.9431  168.706   10.860  147.789   9.9463 20.91785 14.72642 
1 1 1  -30    8   24 o  160.125   7.3058   69.166   6.2678   74.119   9.6299   65.525   8.2558  165.006   10.800  155.244   9.8414 9.762115 14.61162 
1 1 1  -30    8   25 o  337.064   8.4520  310.836   15.346  295.270   22.233  325.000   21.207  328.825   12.512  345.302   11.366 -16.47769 16.90397 
1 1 1  -30    8   26 o   66.387   17.357   7.6318   8.5401   17.700   13.423   0.7840   11.070   80.221   26.575   52.554   22.334 27.66640 34.71352 
1 1 1  -30    8   27 o  112.833   11.400   34.183   6.7511   31.408   8.4514   39.077   11.222  106.883   14.633  118.783   17.484 -11.89951 22.79948 
1 1 1  -30    8   28 o  148.126   7.6196   60.242   6.0292   57.357   9.1184   62.484   8.0369  144.827   11.651  151.424   9.8222 -6.596466 15.23910 
1 1 1  -30    8   29 o  159.189   7.3373   70.778   6.1620   57.336   9.1219   82.060   8.3570  144.750   11.662  173.628   8.9072 -28.87798 14.67458 
1 1 1  -30    8   30 o  107.765   10.522   33.872   5.6578   23.209   8.2805   43.208   7.7486   89.870   17.681  125.660   11.411 -35.79002 21.04368 
1 1 1  -30    8   31 o  103.771   10.442   29.614   5.5060   41.963   8.3743   20.210   7.3076  123.629   12.535   83.913   16.703 39.71566 20.88399 
1 1 1  -30    8   32 o   39.166   12.241  -2.7667   5.2128   0.9723   7.5014  -6.2584   7.2491   43.895   18.505   34.437   16.029 9.457466 24.48227 
1 1 1  -30    8   33 o  227.417   6.0210  140.989   7.3956  141.314   10.629  140.684   10.296  227.640   8.6411  227.193   8.3870 0.4466095 12.04200 
1 1 1  -30    8   34 o  209.266   6.1328  120.029   6.9042  111.411   9.9924  127.901   9.5505  201.927   9.1577  216.605   8.1597 -14.67776 12.26554 
1 1 1  -30    8   35 o   94.770   11.493   26.084   5.6228   21.750   8.3814   29.631   7.5821   86.154   18.552  103.387   13.572 -17.23376 22.98625 
1 1 1  -30    8   36 o   93.894   11.219   24.685   5.4765   32.089   8.2666   18.894   7.3109  107.362   14.249   80.426   17.333 26.93579 22.43836 
1 1 1  -30    8   37 o  237.615   5.9827  154.049   7.6627  158.353   11.302  150.387   10.425  240.605   8.6925  234.626   8.2226 5.978027 11.96540 
1 1 1  -30    8   38 o   62.349   13.852   10.740   5.3254   15.334   7.9650   7.0248   7.1615   71.633   19.877   53.065   19.298 18.56821 27.70374 
1 1 1  -30    8   39 o   55.823   13.676   7.8929   5.3309   3.0706   7.6945   12.344   7.3926   46.922   19.165   64.724   19.516 -17.80153 27.35246 
1 1 1  -30    8   40 o   50.277   13.489   3.2334   5.6509   11.418   8.2075  -4.1432   7.7920   62.867   20.778   37.688   17.205 25.17892 26.97707 
1 1 1  -30    8   41 o  173.095   6.9967   82.349   6.5287   90.390   9.5782   75.371   8.9226  180.991   9.7935  165.200   9.9952 15.79099 13.99349 
1 1 1  -30    8   42 o  103.228   11.610   32.629   5.9295   20.105   8.6354   43.803   8.1563   81.192   19.849  125.263   12.050 -44.07104 23.22033 
1 1 1  -30    8   43 o   82.262   13.690   20.653   5.9854   21.918   8.5993   19.464   8.3360   84.804   19.211   79.719   19.510 5.084648 27.38036 
1 1 1  -30    8   44 o  109.685   11.247   36.903   6.0777   24.751   9.0459   46.902   8.2057   89.986   19.189  129.385   11.737 -39.39874 22.49383 
1 1 1  -30    8   45 o   33.863   11.337  -8.4708   5.4788  -4.4478   8.2549 -11.6381   7.3246   38.141   17.522   29.585   14.390 8.555199 22.67379 
1 1 1  -30    8   46 o  143.318   8.5161   58.531   6.5061   52.608   9.6879   63.396   8.7809  136.054   13.177  150.583   10.791 -14.52863 17.03223 
1 1 1  -30    8   47 f  177.788   7.3065   87.773   7.0010   94.474   10.367   82.154   9.4928  183.943   10.430  171.633   10.235 12.30994 14.61304 
1 1 1  -30    8   48 o   59.748   14.792   9.9400   6.2703   4.0688   8.8160   15.950   8.9199   49.123   20.336   70.373   21.486 -21.24949 29.58401 
1 1 1  -30    8   49 o   48.676   13.609   2.9947   5.9518  -5.3277   8.5540   10.805   8.2865   37.632   17.482   59.720   20.861 -22.08808 27.21753 
1 1 1  -30    8   50 o  193.570   7.3475  106.217   7.6649  103.031   11.139  109.083   10.564  190.434   10.824  196.706   9.9384 -6.271866 14.69490 
1 1 1  -30    8   51 o   46.257   15.043  -4.2793   8.7497   0.5070   12.282  -9.2117   12.468   49.886   22.290   42.628   20.207 7.257698 30.08609 
1 1 1  -30    8   53 o  101.745   26.124   39.640   14.437   0.0000   0.0000   39.640   14.437  ?   ?   101.745   26.124      ?      ? 
1 1 1  -30    8   54 o   40.014   12.952  -4.0610   6.5453   4.0879   9.5390 -11.3111   8.9976   47.261   20.418   32.767   15.940 14.49398 25.90305 
1 1 1  -30    8   55 o   98.746   14.194   33.330   7.3144   33.142   10.246   33.526   10.445   98.624   19.911   98.869   20.233 -0.2456284 28.38726 
1 1 1  -30    8   56 o   65.501   15.944   16.607   7.1842   23.132   10.295   10.413   10.030   76.289   23.037   54.713   22.050 21.57602 31.88900 
1 1 1  -30    9    1 o  174.480   6.5592   82.635   6.1309   81.710   9.2732   83.353   8.1715  173.572   9.8870  175.389   8.6221 -1.816910 13.11846 
1 1 1  -30    9    2 o  175.073   6.5377   82.518   6.1526   88.493   9.2921   77.853   8.2102  180.661   9.5184  169.485   8.9647 11.17581 13.07537 
1 1 1  -30    9    3 o  213.167   5.9554  123.383   6.8020  120.905   10.254  125.330   9.0900  211.211   8.9843  215.123   7.8197 -3.912109 11.91071 
1 1 1  -30    9    4 o  416.918   6.2749  471.255   14.123  466.301   20.364  475.846   19.604  414.775   9.0856  419.060   8.6573 -4.284698 12.54979 
1 1 1  -30    9    5 o  238.425   6.6806  155.691   8.4649  164.111   11.193  144.437   12.939  246.119   8.4158  230.730   10.378 15.38811 13.36126 
1 1 1  -30    9    6 o  443.594   7.8064  526.536   17.725  511.036   21.668  557.883   30.815  434.184   9.2356  453.004   12.588 -18.81958 15.61290 
1 1 1  -30    9    7 f  151.512   8.3139   63.035   6.4901   60.068   10.836   64.694   8.1043  148.571   13.498  154.453   9.7103 -5.882370 16.62775 
1 1 1  -30    9    8 f  283.746   6.6506  218.527   9.6632  217.590   16.540  219.012   11.906  283.123   10.811  284.369   7.7484 -1.246429 13.30119 
1 1 1  -30    9    9 o  111.026   9.3679   33.294   5.5907   35.923   8.4496   31.247   7.4561  114.873   13.612  107.179   12.874 7.694099 18.73584 
1 1 1  -30    9   10 o  164.897   7.0283   74.607   6.1433   68.964   9.4575   78.726   8.0801  159.367   10.982  170.427   8.7738 -11.06006 14.05663 
1 1 1  -30    9   11 o  237.152   5.9209  151.767   7.5254  157.229   11.483  147.655   9.9630  240.837   8.8238  233.466   7.8973 7.371521 11.84173 
1 1 1  -30    9   12 o  202.102   6.3176  111.233   6.8428  106.472   10.231  115.085   9.2041  198.122   9.5568  206.083   8.2652 -7.960281 12.63514 
1 1 1  -30    9   13 o  277.818   5.7565  208.601   8.5788  213.550   13.006  204.790   11.414  280.682   8.5753  274.953   7.6820 5.728546 11.51299 
1 1 1  -30    9   14 o  375.823   6.0449  383.530   12.254  367.699   17.614  398.379   17.060  368.250   8.8518  383.397   8.2345 -15.14725 12.08974 
1 1 1  -30    9   15 o  164.067   7.2626   73.983   6.3336   67.260   9.6055   79.155   8.4244  157.306   11.300  170.828   9.1263 -13.52220 14.52523 
1 1 1  -30    9   16 o  249.811   5.8570  169.682   7.8558  164.325   11.688  174.096   10.610  246.151   8.7872  253.470   7.7461 -7.319397 11.71394 
1 1 1  -30    9   17 o  259.794   8.7997  183.084   12.353  183.084   12.353   0.0000   0.0000  259.794   8.7997  ?   ?       ?      ? 
1 1 1  -30    9   18 o  334.096   11.048  303.604   19.945   0.0000   0.0000  303.604   19.945  ?   ?   334.096   11.048      ?      ? 
1 1 1  -30    9   19 o  144.259   10.396   56.193   8.0254   68.536   12.072   46.419   10.743  158.339   14.110  130.179   15.272 28.15945 20.79220 
1 1 1  -30    9   20 o  390.783   11.829  416.216   24.979   0.0000   0.0000  416.216   24.979  ?   ?   390.783   11.829      ?      ? 
1 1 1  -30    9   21 o  115.431   12.907   36.385   8.0508   0.0000   0.0000   36.385   8.0508  ?   ?   115.431   12.907      ?      ? 
1 1 1  -30    9   22 o   78.232   14.997   18.373   6.7154   23.047   8.5389   10.795   10.872   89.866   18.208   66.598   23.836 23.26770 29.99474 
1 1 1  -30    9   23 o   91.362   14.154   22.141   6.7004   15.506   8.3778   33.919   11.162   73.615   20.371  109.109   19.655 -35.49471 28.30709 
1 1 1  -30    9   24 o  167.377   9.7471   72.340   7.5151   85.270   15.948   68.649   8.5204  175.907   16.778  158.846   9.9265 17.06094 19.49417 
1 1 1  -30    9   25 o  277.012   8.8796  211.349   13.120  199.324   19.892  220.608   17.455  269.686   13.650  284.338   11.360 -14.65204 17.75926 
1 1 1  -30    9   26 o   65.831   17.527   8.4087   8.3580   14.482   13.644   4.7613   10.574   75.153   26.723   56.509   22.687 18.64434 35.05467 
1 1 1  -30    9   27 f  339.035   5.9553  308.858   10.811  339.319   16.705  286.906   14.181  353.161   8.7535  324.909   8.0771 28.25220 11.91068 
1 1 1  -30    9   28 o  154.591   7.3724   64.486   6.1219   72.708   9.2870   58.168   8.1411  163.188   10.532  145.993   10.320 17.19521 14.74488 
1 1 1  -30    9   29 o   58.650   13.411   7.5271   5.2669   15.940   8.1561   1.5095   6.8981   74.091   19.935   43.208   17.946 30.88289 26.82254 
1 1 1  -30    9   30 f  126.871   8.4038   43.691   5.6757   46.594   8.9378   41.729   7.3473  130.238   12.700  123.503   11.009 6.735176 16.80759 
1 1 1  -30    9   31 o  219.440   6.1601  132.220   7.2417  121.029   10.667  141.788   9.8631  210.614   9.3726  228.265   7.9962 -17.65073 12.32011 
1 1 1  -30    9   32 o   67.950   14.295   13.241   5.6118   14.523   8.4353   12.224   7.5165   70.655   20.737   65.246   19.680 5.409691 28.58907 
1 1 1  -30    9   33 o   74.760   13.734   16.225   5.5886   18.936   8.4012   14.074   7.4849   80.155   19.567   69.366   19.276 10.78943 27.46714 
1 1 1  -30    9   34 o  256.544   5.9475  180.007   8.2096  174.574   12.075  184.677   11.195  252.804   8.8394  260.284   7.9595 -7.480347 11.89491 
1 1 1  -30    9   35 o   59.726   14.432   9.5206   5.5453   10.837   8.5419   8.5613   7.2905   62.715   21.205   56.737   19.581 5.977619 28.86347 
1 1 1  -30    9   36 o  162.327   7.0694   71.127   6.1468   84.887   9.3898   60.809   8.1311  175.863   9.8808  148.791   10.113 27.07217 14.13881 
1 1 1  -30    9   37 o  106.058   10.022   32.037   5.6266   27.696   8.4545   35.487   7.5385   99.048   15.796  113.068   12.338 -14.02032 20.04391 
1 1 1  -30    9   38 o  174.909   7.0959   84.208   6.6390   84.306   10.130   84.135   8.7898  174.766   10.727  175.051   9.2924 -0.2850800 14.19184 
1 1 1  -30    9   39 o  113.520   9.7954   36.397   5.9651   33.387   8.7171   39.047   8.1803  108.769   14.831  118.272   12.800 -9.503250 19.59080 
1 1 1  -30    9   40 o  211.484   6.2811  123.242   7.1297  120.145   10.640  125.766   9.6046  208.837   9.4290  214.131   8.3007 -5.293304 12.56212 
1 1 1  -30    9   41 o  139.154   8.3142   54.688   6.1560   47.879   9.1379   60.346   8.3298  130.667   12.942  147.641   10.441 -16.97374 16.62839 
1 1 1  -30    9   42 o  172.340   7.3414   81.490   6.7937   90.251   10.342   74.841   9.0103  180.301   10.615  164.379   10.144 15.92154 14.68278 
1 1 1  -30    9   43 o  192.063   6.7915  102.304   7.0298   98.282   10.185  105.963   9.7145  188.252   10.013  195.873   9.1782 -7.621094 13.58291 
1 1 1  -30    9   44 o   48.250   12.698   1.4917   5.6597 -11.9808   8.4492   12.457   7.6225   32.577   15.752   63.923   19.921 -31.34604 25.39622 
1 1 1  -30    9   45 o  161.851   7.9499   72.984   6.9127   77.699   10.464   69.333   9.2079  166.243   11.649  157.459   10.822 8.783585 15.89980 
1 1 1  -30    9   46 o  104.144   10.986   30.942   6.1326   35.608   9.4197   27.509   8.0793  110.762   15.738   97.526   15.331 13.23635 21.97105 
1 1 1  -30    9   47 o  104.479   12.467   35.031   6.4546   21.959   9.6526   45.604   8.6808   82.442   21.459  126.517   12.698 -44.07439 24.93430 
1 1 1  -30    9   48 o   51.944   13.616   4.8464   5.9200  -4.6311   8.5353   13.633   8.2182   38.285   17.671   65.604   20.721 -27.31959 27.23290 
1 1 1  -30    9   49 o  118.631   10.413   42.275   6.4947   34.763   9.6761   48.434   8.7615  107.468   16.662  129.794   12.492 -22.32551 20.82510 
1 1 1  -30    9   50 o   78.459   16.793   21.998   7.7099   23.528   9.5244   19.088   13.132   83.989   21.032   72.929   26.186 11.06062 33.58630 
1 1 1  -30    9   53 o   46.925   15.028   1.3957   8.1269  -0.7062   10.804   4.1351   12.334   43.796   20.093   50.053   22.353 -6.257038 30.05649 
1 1 1  -30    9   54 o   51.758   14.854   5.9041   6.8620   12.730   9.8467  -0.5411   9.5681   60.687   22.534   42.829   19.360 17.85823 29.70783 
1 1 1  -30    9   55 o   65.061   16.504   16.646   7.4169   19.197   10.648   14.241   10.337   69.112   23.674   61.009   23.002 8.102734 33.00813 
1 1 1  -30   10    1 o  241.643   5.9236  159.022   7.6919  148.676   11.250  168.104   10.540  234.180   8.8907  249.105   7.8302 -14.92583 11.84722 
1 1 1  -30   10    2 o  438.493   6.4657  521.300   15.313  499.103   21.507  544.119   21.807  429.005   9.2774  447.982   9.0082 -18.97638 12.93131 
1 1 1  -30   10    3 o  191.995   6.3794  101.127   6.5286   90.878   9.7582  109.433   8.7842  183.018   9.8670  200.972   8.0887 -17.95348 12.75872 
1 1 1  -30   10    4 o   41.808   12.510  -1.6255   5.2931  -8.4079   7.7587   4.2796   7.2395   34.389   16.192   49.227   19.074 -14.83791 25.01970 
1 1 1  -30   10    5 o  366.844   7.1091  365.853   13.727  368.204   17.563  362.162   22.006  368.544   8.8190  365.143   11.153 3.401154 14.21825 
1 1 1  -30   10    6 o  360.764   6.0793  353.133   11.822  347.209   17.256  358.373   16.229  357.865   8.9233  363.663   8.2587 -5.797394 12.15857 
1 1 1  -30   10    7 o  234.531   6.7986  145.905   8.1972  159.820   14.221  138.982   10.031  242.591   10.849  226.472   8.1969 16.11865 13.59723 
1 1 1  -30   10    8 o  256.703   5.8227  177.843   8.0134  184.206   12.210  173.028   10.621  260.678   8.6679  252.727   7.7772 7.951691 11.64547 
1 1 1  -30   10    9 o  185.732   6.6393   93.699   6.5660   92.808   10.168   94.336   8.5993  184.910   10.176  186.554   8.5304 -1.643692 13.27866 
1 1 1  -30   10   10 o  499.940   6.9868  678.413   18.871  662.815   26.711  693.956   26.663  494.174   10.003  505.706   9.7573 -11.53134 13.97369 
1 1 1  -30   10   11 o  357.169   6.0256  346.481   11.603  334.201   16.806  357.665   16.038  351.063   8.8589  363.276   8.1702 -12.21365 12.05124 
1 1 1  -30   10   12 o  200.045   6.4973  107.665   6.9577  114.836   10.726  102.454   9.1423  205.708   9.6489  194.382   8.7039 11.32632 12.99460 
1 1 1  -30   10   13 o  286.672   5.8106  221.795   8.9153  229.676   13.683  215.981   11.752  291.021   8.7011  282.323   7.7035 8.696991 11.62127 
1 1 1  -30   10   14 o   54.785   14.008   6.4128   5.3221   9.6721   8.2798   4.1180   6.9474   61.377   20.877   48.194   18.682 13.18326 28.01538 
1 1 1  -30   10   15 o  365.443   8.2289  362.132   16.250   0.0000   0.0000  362.132   16.250  ?   ?   365.443   8.2289      ?      ? 
1 1 1  -30   10   16 o  280.169   7.0422  212.811   10.434  211.057   13.415  215.495   16.600  278.868   8.9023  281.469   10.914 -2.600708 14.08448 
1 1 1  -30   10   17 o  328.410   8.0019  293.050   14.156  300.901   20.978  286.487   19.181  332.358   11.681  324.462   10.940 7.895935 16.00379 
1 1 1  -30   10   18 o   93.592   14.867   24.604   7.3180   31.351   11.243   19.644   9.6393  104.625   20.620   82.559   21.422 22.06629 29.73409 
1 1 1  -30   10   19 o  372.892   8.3563  379.112   16.825  377.477   24.241  380.631   23.371  372.049   12.058  373.736   11.572 -1.686981 16.71267 
1 1 1  -30   10   20 o  332.590   6.0205  300.029   10.737  302.066   16.244  298.449   14.309  333.499   9.0136  331.681   7.9836 1.817902 12.04094 
1 1 1  -30   10   21 o  232.299   8.1297  147.210   8.8276  146.757   17.643  147.361   10.196  231.557   14.100  233.040   8.0964 -1.482758 16.25943 
1 1 1  -30   10   22 o   66.086   15.511   12.323   6.5324   1.0836   13.653   15.660   7.4391   58.333   24.797   73.840   18.641 -15.50756 31.02245 
1 1 1  -30   10   23 f  116.322   11.588   37.908   7.0315   39.970   9.0044   34.685   11.256  120.776   13.797  111.867   18.621 8.908913 23.17557 
1 1 1  -30   10   24 o   47.864   15.304  -6.1522   7.9327  -1.2653   13.810  -8.5586   9.6909   56.053   24.391   39.675   18.490 16.37759 30.60700 
1 1 1  -30   10   25 o  204.462   9.6536  117.115   10.321  104.324   16.287  125.698   13.342  194.471   15.499  214.454   11.513 -19.98401 19.30716 
1 1 1  -30   10   26 o   48.103   14.538   0.1539   6.6712  -1.1080   8.9493   1.7320   10.008   45.061   19.621   51.146   21.458 -6.084774 29.07666 
1 1 1  -30   10   27 o   51.699   13.716   4.1565   5.3557   10.399   8.4507  -0.0334   6.9236   62.449   21.092   40.948   17.538 21.50100 27.43117 
1 1 1  -30   10   28 o   62.738   13.818   9.1537   5.3597   17.815   8.8414   4.1213   6.7392   78.148   20.633   47.329   18.385 30.81904 27.63565 
1 1 1  -30   10   29 o  102.406   10.237   28.833   5.6468   30.496   8.4028   27.464   7.6252  105.036   14.805   99.776   14.143 5.260269 20.47428 
1 1 1  -30   10   30 o  154.816   7.4005   65.357   6.1684   67.949   9.1918   63.232   8.3201  157.538   10.798  152.093   10.124 5.445526 14.80110 
1 1 1  -30   10   31 o  173.142   7.0683   82.203   6.5429   80.737   9.9557   83.318   8.6808  171.613   10.736  174.670   9.1971 -3.057648 14.13666 
1 1 1  -30   10   32 o  243.223   6.1018  162.213   7.9699  153.043   11.736  170.063   10.858  236.653   9.1772  249.792   8.0440 -13.13924 12.20356 
1 1 1  -30   10   33 o  229.985   6.2199  144.950   7.6809  139.756   11.404  149.263   10.391  226.043   9.3365  233.926   8.2206 -7.882721 12.43979 
1 1 1  -30   10   34 o  313.341   6.0102  268.385   10.164  254.438   14.414  282.181   14.335  305.139   8.7419  321.542   8.2506 -16.40350 12.02049 
1 1 1  -30   10   35 o  175.005   7.1008   84.668   6.6307   80.134   10.049   88.165   8.8243  170.575   10.902  179.435   9.1009 -8.860687 14.20169 
1 1 1  -30   10   36 o   73.079   12.824   16.738   5.5504   6.7060   8.8567   23.227   7.1227   55.140   21.169   91.018   14.482 -35.87770 25.64895 
1 1 1  -30   10   37 o  214.016   6.4164  125.099   7.3863  131.321   11.087  120.135   9.9041  218.666   9.3833  209.366   8.7542 9.299667 12.83289 
1 1 1  -30   10   38 o  165.937   7.1946   76.109   6.3734   74.824   9.7503   77.067   8.4216  164.435   10.973  167.438   9.3079 -3.002945 14.38915 
1 1 1  -30   10   39 o  192.042   6.8222  100.738   7.0404  110.750   10.666   93.007   9.3723  200.337   9.8525  183.747   9.4392 16.59065 13.64444 
1 1 1  -30   10   40 o   75.761   13.579   17.084   5.5960   21.498   8.3954   13.555   7.5068   84.436   18.875   67.085   19.526 17.35032 27.15760 
1 1 1  -30   10   41 o   79.659   12.712   18.481   5.9541   32.044   8.7382   6.7265   8.1347  105.965   15.261   53.353   20.335 52.61201 25.42401 
1 1 1  -30   10   42 f  137.476   8.6605   53.410   6.3602   50.337   9.5684   55.843   8.5132  133.459   13.268  141.492   11.135 -8.032791 17.32099 
1 1 1  -30   10   43 o   35.545   11.617  -8.7453   5.8252 -21.8234   9.0593   0.4736   7.6061   28.875   14.399   42.216   18.235 -13.34142 23.23469 
1 1 1  -30   10   44 o   73.051   14.388   16.327   5.9042   20.667   8.9992   13.046   7.8234   81.045   20.527   65.058   20.166 15.98669 28.77537 
1 1 1  -30   10   45 o  133.978   8.9450   50.701   6.4386   51.794   9.6737   49.832   8.6271  134.969   13.264  132.988   12.005 1.981155 17.89000 
1 1 1  -30   10   46 f  132.086   9.3960   49.645   6.6365   51.416   10.207   48.348   8.7350  133.642   14.134  130.529   12.384 3.112915 18.79199 
1 1 1  -30   10   47 o   37.069   12.231  -6.9644   6.0196  -1.9776   9.0837 -10.8690   8.0378   42.224   18.995   31.914   15.415 10.30982 24.46288 
1 1 1  -30   10   48 o  120.126   10.098   41.476   6.4969   49.917   9.7848   34.821   8.6886  131.199   13.802  109.054   14.744 22.14510 20.19605 
1 1 1  -30   10   49 o   75.392   21.271   19.160   9.0426   0.0000   0.0000   19.160   9.0426  ?   ?    75.392   21.271      ?      ? 
1 1 1  -30   10   50 o   56.284   16.299  -2.4257   9.1522   21.122   14.289 -18.8063   11.918   76.343   27.325   36.224   17.774 40.11968 32.59758 
1 1 1  -30   10   52 o   59.522   24.768   11.955   13.174   0.0000   0.0000   11.955   13.174  ?   ?    59.522   24.768      ?      ? 
1 1 1  -30   10   53 o   98.488   14.098   32.938   7.2452   32.543   10.238   33.333   10.254   97.761   20.054   99.216   19.820 -1.454704 28.19525 
1 1 1  -30   10   54 o   46.043   14.385   2.4839   7.1048  -0.5127   10.609   4.9208   9.5669   43.906   20.056   48.180   20.625 -4.274273 28.76924 
1 1 1  -30   11    1 o  214.855   6.1208  126.705   7.0147  112.242   10.394  138.803   9.5060  203.381   9.4575  226.328   7.7727 -22.94650 12.24169 
1 1 1  -30   11    2 o  275.069   5.7505  204.595   8.4950  209.311   12.805  200.887   11.353  277.850   8.5283  272.287   7.7164 5.563263 11.50108 
1 1 1  -30   11    3 o  220.715   6.0807  132.465   7.2081  128.339   10.709  135.882   9.7466  217.516   9.1110  223.914   8.0553 -6.397873 12.16137 
1 1 1  -30   11    4 o   57.237   14.441   7.3739   5.8489   11.116   8.0696   3.2320   8.4895   64.167   20.561   50.307   20.282 13.85999 28.88125 
1 1 1  -30   11    5 o  174.627   6.9802   84.327   6.4586   71.938   9.6551   94.360   8.6889  162.704   10.982  186.549   8.6195 -23.84563 13.96047 
1 1 1  -30   11    6 o   56.976   14.822   7.0417   5.6859   7.7680   10.118   6.7065   6.8740   60.757   22.786   53.195   18.962 7.561512 29.64386 
1 1 1  -30   11    7 o  332.978   5.9519  301.507   10.676  283.335   15.390  318.365   14.823  323.222   8.8114  342.733   8.0037 -19.51151 11.90373 
1 1 1  -30   11    8 o  258.302   5.8855  180.107   8.1419  186.537   12.461  175.318   10.755  262.256   8.7933  254.348   7.8251 7.908096 11.77094 
1 1 1  -30   11    9 o   36.246   11.775  -5.3547   5.1985  -4.6039   7.9905  -5.9057   6.8453   38.730   17.581   33.762   15.669 4.968014 23.54986 
1 1 1  -30   11   10 o  425.777   8.8418  491.779   20.343   0.0000   0.0000  491.779   20.343  ?   ?   425.777   8.8418      ?      ? 
1 1 1  -30   11   11 o  178.557   6.9695   86.570   6.6502   86.698   10.193   86.475   8.7751  178.604   10.561  178.511   9.0970 0.9353638E-01 13.93898 
1 1 1  -30   11   12 o  273.266   5.9714  203.006   8.7375  199.038   13.210  206.092   11.650  270.810   9.0271  275.721   7.8193 -4.911499 11.94273 
1 1 1  -30   11   13 o  233.191   6.0766  146.616   7.5730  153.622   11.718  141.592   9.9238  237.882   9.1160  228.499   8.0372 9.382553 12.15315 
1 1 1  -30   11   14 o  137.628   9.4483   51.763   7.0103   47.382   9.8493   56.261   9.9801  131.669   13.843  143.588   12.863 -11.91936 18.89662 
1 1 1  -30   11   15 o  211.773   8.1280  122.546   9.2383  118.671   13.767  125.721   12.460  208.606   12.213  214.940   10.728 -6.333694 16.25590 
1 1 1  -30   11   16 o  250.841   7.8546  172.017   10.598  162.252   15.459  180.676   14.557  243.986   11.726  257.696   10.454 -13.71019 15.70913 
1 1 1  -30   11   17 o  103.150   13.681   30.006   7.3619   29.550   11.346   30.338   9.6750  101.309   21.397  104.992   17.053 -3.683243 27.36144 
1 1 1  -30   11   18 o  359.520   12.033  352.478   23.377  352.478   23.377   0.0000   0.0000  359.520   12.033  ?   ?       ?      ? 
1 1 1  -30   11   19 o  343.143   5.9698  320.275   11.036  310.122   16.096  329.280   15.159  337.929   8.8146  348.358   8.0532 -10.42883 11.93955 
1 1 1  -30   11   20 f  129.802   8.7308   46.010   6.0025   45.978   9.4717   46.031   7.7597  129.628   13.522  129.976   11.048 -0.3471527 17.46165 
1 1 1  -30   11   21 o  220.083   6.3397  131.755   7.4505  130.944   11.429  132.355   9.8254  219.391   9.6403  220.775   8.2359 -1.383789 12.67937 
1 1 1  -30   11   22 o  181.858   10.078   95.271   7.8787   83.333   17.059   98.508   8.8828  173.339   18.213  190.378   8.6347 -17.03923 20.15617 
1 1 1  -30   11   23 o  290.695   8.0079  232.099   11.031  228.153   21.509  233.507   12.850  288.237   13.810  293.153   8.1117 -4.916748 16.01579 
1 1 1  -30   11   24 o  147.055   12.632   57.589   9.6747   69.752   16.538   51.261   11.929  157.992   19.371  136.117   16.218 21.87512 25.26383 
1 1 1  -30   11   25 o   44.414   14.580  -9.7140   8.4544 -22.0000   14.612  -3.5315   10.366   42.881   20.730   45.948   20.508 -3.067215 29.15990 
1 1 1  -30   11   26 o  145.494   7.8449   57.092   6.0856   62.630   9.5705   53.333   7.8851  151.236   11.711  139.751   10.441 11.48518 15.68984 
1 1 1  -30   11   27 o  201.693   6.5733  110.787   7.0889  111.546   10.853  110.222   9.3616  202.169   9.9349  201.217   8.6099 0.9522705 13.14663 
1 1 1  -30   11   28 o   61.499   13.717   10.201   5.6261   2.5876   8.5633   15.983   7.4627   48.884   20.121   74.113   18.649 -25.22913 27.43429 
1 1 1  -30   11   29 o  217.403   8.4244  128.781   9.8967   0.0000   0.0000  128.781   9.8967  ?   ?   217.403   8.4244      ?      ? 
1 1 1  -30   11   30 o  153.886   7.7328   65.715   6.3471   58.940   9.4444   71.295   8.5712  146.343   11.943  161.429   9.8259 -15.08624 15.46560 
1 1 1  -30   11   31 o  155.157   7.4871   65.279   6.2082   71.069   9.6635   61.209   8.1012  160.826   11.120  149.487   10.029 11.33955 14.97416 
1 1 1  -30   11   32 o  103.407   10.754   30.064   5.8826   28.689   9.1822   31.021   7.6613  101.016   16.822  105.798   13.401 -4.782669 21.50714 
1 1 1  -30   11   33 o  117.905   9.2816   38.382   5.8487   39.607   9.0161   37.492   7.6851  119.320   13.983  116.490   12.209 2.830513 18.56318 
1 1 1  -30   11   34 o   89.259   12.246   22.857   5.6175   25.741   8.8582   20.917   7.2652   93.699   18.151   84.819   16.445 8.879990 24.49278 
1 1 1  -30   11   35 o   85.272   13.301   21.499   5.9397   22.892   8.8968   20.379   7.9782   87.624   19.310   82.920   18.296 4.704384 26.60153 
1 1 1  -30   11   36 o  156.634   7.4190   68.393   6.1948   62.004   9.2736   73.541   8.3246  149.647   11.468  163.622   9.4154 -13.97487 14.83803 
1 1 1  -30   11   37 o  148.909   7.8987   60.193   6.2895   70.854   9.7792   52.672   8.2137  159.879   11.319  137.939   11.020 21.94012 15.79744 
1 1 1  -30   11   38 o   89.868   12.300   23.120   5.8175   29.864   8.8933   18.076   7.6912  102.262   16.094   77.474   18.606 24.78782 24.60056 
1 1 1  -30   11   39 o  152.777   7.8824   64.764   6.4645   65.387   9.7308   64.273   8.6489  153.200   11.754  152.354   10.506 0.8469238 15.76488 
1 1 1  -30   11   40 o  116.975   9.9151   38.844   6.2433   36.668   9.0491   40.821   8.6249  113.558   14.747  120.393   13.258 -6.835213 19.83013 
1 1 1  -30   11   41 o   48.463   13.698   4.0163   5.6244  -0.2739   8.5269   7.3206   7.4831   43.602   19.065   53.323   19.675 -9.721153 27.39622 
1 1 1  -30   11   42 o   78.482   14.044   19.745   6.0904   14.060   9.3336   23.961   8.0373   67.630   22.149   89.334   17.275 -21.70427 28.08862 
1 1 1  -30   11   43 o   61.756   14.946   11.411   6.0320   9.6592   9.1955   12.734   7.9917   59.110   21.810   64.403   20.443 -5.293091 29.89299 
1 1 1  -30   11   44 o   43.787   13.397   0.6334   5.8327  -2.1690   9.2168   2.5053   7.5329   42.768   19.195   44.806   18.694 -2.038151 26.79385 
1 1 1  -30   11   45 o   87.135   13.812   24.167   6.2965   20.935   9.7460   26.482   8.2492   80.562   21.840   93.707   16.913 -13.14534 27.62310 
1 1 1  -30   11   46 o  126.273   9.9218   46.180   6.7279   44.730   9.9736   47.391   9.1138  123.932   14.893  128.613   13.114 -4.680603 19.84358 
1 1 1  -30   11   47 o   88.389   13.307   22.677   6.3467   37.500   10.211   13.344   8.1020  112.030   16.867   64.747   20.587 47.28300 26.61408 
1 1 1  -30   11   48 o   96.059   13.275   28.126   6.6898   38.929   10.515   20.778   8.6712  112.768   17.255   79.350   20.177 33.41812 26.54919 
1 1 1  -30   11   49 o   41.401   14.143 -14.7774   9.4652 -11.3694   14.171 -17.5225   12.718   44.389   21.183   38.412   18.744 5.976894 28.28527 
1 1 1  -30   11   51 o   45.675   21.777  -8.4550   14.906   0.0000   0.0000  -8.4550   14.906  ?   ?    45.675   21.777      ?      ? 
1 1 1  -30   11   52 o   36.932   12.411  -8.1135   6.9287 -15.2601   10.200  -1.9905   9.4413   33.172   16.310   40.691   18.711 -7.519871 24.82184 
1 1 1  -30   11   53 o   78.490   15.101   21.887   7.0214   31.686   10.195   13.043   9.6846   96.130   20.264   60.850   22.393 35.28049 30.20114 
1 1 1  -30   11   54 o   51.050   15.053   7.7183   6.9578   5.5927   10.038   9.6836   9.6525   48.510   20.951   53.590   21.619 -5.079918 30.10567 
1 1 1  -30   12    1 o  215.059   6.2845  124.801   7.2155  130.084   11.199  121.052   9.4346  218.862   9.4697  211.256   8.2647 7.606598 12.56900 
1 1 1  -30   12    2 o   39.246   11.724  -3.9801   5.1367 -16.8513   8.0098   5.0115   6.6947   29.195   14.374   49.298   18.526 -20.10280 23.44812 
1 1 1  -30   12    3 o  123.860   9.4402   41.715   6.2920   47.407   9.1772   36.667   8.6432  131.847   12.881  115.873   13.804 15.97348 18.88041 
1 1 1  -30   12    4 o  196.150   7.2080  104.297   7.6251  100.554   10.400  108.649   11.213  192.374   10.005  199.925   10.379 -7.550812 14.41593 
1 1 1  -30   12    5 o  113.491   10.302   33.813   6.1156   40.833   10.333   30.028   7.5873  122.091   15.662  104.892   13.386 17.19847 20.60300 
1 1 1  -30   12    6 o  278.693   6.7929  216.852   9.7762  188.919   15.803  234.169   12.443  263.503   11.099  293.883   7.8352 -30.38037 13.58579 
1 1 1  -30   12    7 f   99.876   11.102   28.012   5.6965   26.348   8.9484   29.147   7.3866   96.410   17.833  103.342   13.228 -6.932076 22.20360 
1 1 1  -30   12    8 o  109.530   10.013   32.988   5.8229   31.714   9.0227   33.897   7.6228  107.578   15.521  111.481   12.654 -3.902901 20.02575 
1 1 1  -30   12    9 o  423.445   8.8539  486.749   20.259   0.0000   0.0000  486.749   20.259  ?   ?   423.445   8.8539      ?      ? 
1 1 1  -30   12   10 f  228.530   6.2922  141.939   7.7093  140.616   11.625  142.977   10.300  227.506   9.4564  229.553   8.3033 -2.046799 12.58449 
1 1 1  -30   12   11 o  514.194   7.2247  718.610   20.064  687.601   28.033  751.181   28.730  502.794   10.318  525.594   10.116 -22.79971 14.44944 
1 1 1  -30   12   12 f  305.454   7.0002  249.790   11.338  234.870   14.508  273.198   18.172  294.058   9.1303  316.851   10.614 -22.79266 14.00032 
1 1 1  -30   12   13 o   98.213   13.872   25.965   7.1461   35.495   11.451   19.885   9.1454  113.355   18.695   83.072   20.499 30.28363 27.74338 
1 1 1  -30   12   14 o   96.724   14.659   26.733   7.4080   29.077   11.051   24.820   9.9835  100.563   21.013   92.885   20.445 7.678856 29.31761 
1 1 1  -30   12   15 o  108.695   13.343   32.796   7.5568   42.275   11.303   25.135   10.162  123.956   16.875   93.434   20.674 30.52143 26.68680 
1 1 1  -30   12   16 o  267.423   7.0565  188.967   9.4880  209.505   17.249  180.057   11.361  277.258   11.513  257.589   8.1622 19.66846 14.11290 
1 1 1  -30   12   17 o  215.160   9.7827  125.894   11.374  125.894   11.374   0.0000   0.0000  215.160   9.7827  ?   ?       ?      ? 
1 1 1  -30   12   18 o  230.542   8.3484  144.322   10.400   0.0000   0.0000  144.322   10.400  ?   ?   230.542   8.3484      ?      ? 
1 1 1  -30   12   19 o  142.234   8.1925   53.211   6.1810   67.937   9.9050   43.820   7.9101  157.759   11.619  126.708   11.553 31.05037 16.38506 
1 1 1  -30   12   20 o  276.063   5.9941  205.597   8.8368  216.741   13.730  197.717   11.546  282.300   9.0006  269.827   7.9188 12.47314 11.98825 
1 1 1  -30   12   21 o  322.309   6.0588  282.103   10.488  285.707   15.772  279.246   14.042  324.045   9.0071  320.574   8.1062 3.471436 12.11770 
1 1 1  -30   12   22 o  223.771   8.9129  135.491   8.9860  140.495   19.102  134.068   10.183  225.515   15.675  222.028   8.4876 3.486832 17.82575 
1 1 1  -30   12   23 o  164.760   11.420   70.233   9.6429   91.149   17.275   60.766   11.622  181.019   17.661  148.501   14.483 32.51811 22.84006 
1 1 1  -30   12   24 o  126.500   14.718   46.279   9.0953   44.099   15.884   47.342   11.094  122.191   24.901  130.808   15.695 -8.616264 29.43511 
1 1 1  -30   12   25 o   97.082   14.163   27.666   7.1987   31.003   9.4740   23.108   11.073  105.655   16.594   88.510   22.957 17.14416 28.32664 
1 1 1  -30   12   26 o  137.058   8.5468   51.414   6.3078   53.042   9.3767   50.068   8.5252  138.965   12.487  135.151   11.673 3.813187 17.09358 
1 1 1  -30   12   27 o  223.450   6.4008  136.880   7.6588  130.249   11.468  142.220   10.290  218.380   9.7182  228.520   8.3330 -10.14011 12.80167 
1 1 1  -30   12   28 o  125.881   9.2108   42.364   6.1666   53.090   9.7775   35.279   7.9463  138.694   13.046  113.067   13.006 25.62740 18.42157 
1 1 1  -30   12   29 o  150.080   7.9540   62.655   6.3422   56.862   9.6172   67.113   8.4368  143.596   12.394  156.563   9.9724 -12.96747 15.90799 
1 1 1  -30   12   30 o   63.731   13.235   8.2080   5.5915   22.238   9.0696  -0.3942   7.1016   86.799   19.778   40.662   17.592 46.13653 26.46957 
1 1 1  -30   12   31 o   53.331   14.254   6.1910   5.7198   3.2342   8.6766   8.4636   7.6067   49.713   20.333   56.950   19.982 -7.237801 28.50790 
1 1 1  -30   12   32 o  117.563   9.4251   38.136   5.9648   41.150   8.9239   35.702   8.0194  121.676   13.573  113.450   13.081 8.226311 18.85028 
1 1 1  -30   12   33 o  135.055   8.6318   51.152   6.1432   47.449   9.6156   53.706   7.9854  130.456   13.640  139.654   10.582 -9.197418 17.26354 
1 1 1  -30   12   34 f   50.589   13.359   4.6794   5.5345  -3.8392   8.6556   10.571   7.1983   40.509   18.353   60.670   19.417 -20.16148 26.71785 
1 1 1  -30   12   35 o   84.723   12.729   21.078   5.6061   22.746   8.5709   19.831   7.4113   87.435   18.706   82.010   17.270 5.425446 25.45898 
1 1 1  -30   12   36 o   56.478   14.222   8.5246   5.4468   7.0254   8.6692   9.5024   7.0013   55.065   20.991   57.891   19.194 -2.826080 28.44300 
1 1 1  -30   12   37 o  166.782   7.5633   76.220   6.7546   83.163   10.426   71.197   8.8673  173.079   11.147  160.485   10.225 12.59412 15.12656 
1 1 1  -30   12   38 f   90.188   12.763   24.423   6.0083   21.313   9.2032   26.734   7.9319   83.388   20.555   96.988   15.135 -13.60000 25.52600 
1 1 1  -30   12   39 o   73.041   13.792   16.807   5.7100   11.462   8.8101   20.678   7.4981   62.855   21.534   83.226   17.240 -20.37128 27.58493 
1 1 1  -30   12   40 o  154.790   8.1512   67.186   6.7222   65.703   10.335   68.273   8.8502  152.842   12.513  156.738   10.449 -3.896622 16.30243 
1 1 1  -30   12   41 o  165.304   7.8043   76.709   6.9057   73.161   10.349   79.556   9.2717  161.419   11.865  169.189   10.141 -7.769455 15.60851 
1 1 1  -30   12   42 o   73.660   13.481   15.141   6.2183   29.769   9.4169   3.8315   8.2803   99.009   18.275   48.310   19.823 50.69838 26.96157 
1 1 1  -30   12   43 o   47.743   13.656   2.0436   5.6758   9.3139   8.8877  -2.9636   7.3757   58.205   21.447   37.282   16.911 20.92281 27.31258 
1 1 1  -30   12   44 o   41.145   12.954  -4.1660   5.8968   4.2527   9.3915  -9.6450   7.5764   50.661   20.982   31.628   15.198 19.03307 25.90842 
1 1 1  -30   12   45 o   75.974   13.918   19.166   6.4081   7.8800   9.6616   28.031   8.5625   55.955   21.936   95.992   17.136 -40.03703 27.83609 
1 1 1  -30   12   46 o   91.295   13.755   25.896   6.5740   32.529   9.9241   20.708   8.7756  102.325   18.635   80.265   20.238 22.05939 27.51046 
1 1 1  -30   12   47 o   46.515   13.527  -4.1811   6.2957   13.565   10.133 -15.3395   8.0348   64.201   23.007   28.829   14.232 35.37233 27.05367 
1 1 1  -30   12   48 o  111.041   16.475   46.442   9.9503   22.793   15.602   62.658   12.919   78.013   28.466  144.070   16.594 -66.05648 32.94980 
1 1 1  -30   12   49 o   47.464   21.934  -4.4842   13.206   0.0000   0.0000  -4.4842   13.206  ?   ?    47.464   21.934      ?      ? 
1 1 1  -30   12   51 o   56.711   16.983   8.4505   10.076  -7.0541   16.161   18.311   12.888   46.689   22.372   66.732   25.556 -20.04314 33.96540 
1 1 1  -30   12   52 o   67.547   15.375   16.568   6.8152   9.9058   10.268   21.813   9.1114   56.330   22.445   78.765   21.017 -22.43540 30.74910 
1 1 1  -30   12   53 o   43.063   13.894   0.1230   7.1482  -0.2592   10.676   0.4335   9.6237   43.528   19.971   42.599   19.321 0.9293556 27.78747 
1 1 1  -30   13    1 o  167.351   7.1458   76.313   6.3643   75.282   9.8601   77.050   8.3325  166.282   10.974  168.419   9.1557 -2.137253 14.29152 
1 1 1  -30   13    2 o  366.145   7.2057  362.955   13.957  356.607   17.919  372.748   22.255  362.328   9.1519  369.963   11.132 -7.635284 14.41140 
1 1 1  -30   13    3 o   35.946   11.892  -8.7226   5.8793 -13.5278   8.6003  -4.5068   8.0557   32.953   15.924   38.939   17.667 -5.985714 23.78429 
1 1 1  -30   13    4 o  175.708   7.7664   81.058   6.9968   93.491   12.325   75.147   8.4990  185.119   12.321  166.296   9.4579 18.82256 15.53282 
1 1 1  -30   13    5 o   41.198   12.901  -4.9906   5.5362   2.6667   9.4957  -8.9338   6.8142   51.591   21.206   30.805   14.697 20.78624 25.80099 
1 1 1  -30   13    6 o   94.910   11.199   24.126   5.5203   31.243   8.8552   19.602   7.0600  106.730   15.354   83.091   16.306 23.63847 22.39737 
1 1 1  -30   13    7 o   59.685   13.355   6.3488   5.3654   18.195   8.8273  -0.5919   6.7567   79.517   20.433   39.852   17.200 39.66598 26.70902 
1 1 1  -30   13    8 o  310.004   6.0983  262.441   10.148  243.370   14.884  279.005   13.871  299.317   9.2024  320.692   8.0046 -21.37518 12.19661 
1 1 1  -30   13    9 o   61.053   13.762   9.6184   5.6987   1.5200   8.7048   15.692   7.5386   48.134   20.090   73.973   18.816 -25.83883 27.52492 
1 1 1  -30   13   10 o   84.851   15.099   20.274   6.8570   24.459   10.701   17.358   8.9315   91.969   21.855   77.732   20.838 14.23774 30.19735 
1 1 1  -30   13   11 o   70.309   12.595   7.5446   6.4434   31.014   10.141  -8.3446   8.3442  104.495   18.643   36.122   16.939 68.37354 25.18910 
1 1 1  -30   13   12 o  137.478   10.274   51.722   7.6122   52.500   11.219   51.059   10.363  138.372   15.004  136.583   14.041 1.788544 20.54897 
1 1 1  -30   13   13 o  304.929   7.9497  253.178   13.067  256.081   19.204  250.676   17.833  306.473   11.596  303.386   10.878 3.087433 15.89933 
1 1 1  -30   13   14 o  144.885   9.0345   54.618   6.6132   65.135   12.075   50.113   7.9039  154.133   14.498  135.637   10.784 18.49614 18.06910 
1 1 1  -30   13   15 o  181.341   7.1349   90.120   6.8781   85.877   10.590   93.216   9.0458  177.491   11.041  185.191   9.0394 -7.699539 14.26972 
1 1 1  -30   13   16 f  201.234   6.7319  109.349   7.1449  113.908   11.528  106.506   9.1046  204.474   10.433  197.993   8.5099 6.480057 13.46373 
1 1 1  -30   13   17 o  175.395   7.3465   84.735   6.8586   77.820   10.386   90.084   9.1337  168.829   11.384  181.962   9.2892 -13.13332 14.69303 
1 1 1  -30   13   18 o  211.476   6.6675  122.904   7.4641  115.550   11.598  128.103   9.7520  205.848   10.427  217.105   8.3125 -11.25786 13.33492 
1 1 1  -30   13   19 o  304.230   6.0957  252.663   9.9682  241.204   14.671  262.489   13.585  297.679   9.1208  310.781   8.0897 -13.10226 12.19148 
1 1 1  -30   13   20 o  216.857   6.7469  129.271   7.7183  122.586   12.147  133.797   9.9953  211.898   10.609  221.816   8.3391 -9.918060 13.49381 
1 1 1  -30   13   21 o  307.918   6.1726  257.920   10.165  258.857   15.536  257.219   13.442  308.249   9.3274  307.587   8.0873 0.6616211 12.34524 
1 1 1  -30   13   22 o   90.235   17.715   25.862   9.1024   13.800   16.614   31.036   10.881   76.950   29.125  103.521   20.176 -26.57113 35.43035 
1 1 1  -30   13   23 o   68.828   18.271   8.6067   8.6718   18.365   15.906   4.4797   10.344   82.236   28.893   55.420   22.373 26.81591 36.54203 
1 1 1  -30   13   24 o  177.322   10.522   86.810   8.4053   87.207   17.696   86.694   9.5515  176.446   18.560  178.197   9.9194 -1.750488 21.04404 
1 1 1  -30   13   25 o  322.305   8.2292  282.837   14.332   0.0000   0.0000  282.837   14.332  ?   ?   322.305   8.2292      ?      ? 
1 1 1  -30   13   26 o  150.777   9.7365   63.489   7.8332   67.929   10.534   57.995   11.716  157.060   12.412  144.495   15.005 12.56523 19.47304 
1 1 1  -30   13   27 o   96.579   12.206   25.206   6.0305   43.431   9.6364   13.474   7.7316  125.106   14.254   68.052   19.819 57.05405 24.41285 
1 1 1  -30   13   28 o  117.182   9.6023   36.078   5.9178   47.991   9.8097   29.262   7.4200  131.555   13.799  102.809   13.356 28.74590 19.20457 
1 1 1  -30   13   29 o   72.615   14.090   15.777   5.7144   13.212   8.8739   17.594   7.4692   67.808   21.544   77.422   18.166 -9.614662 28.18073 
1 1 1  -30   13   30 o  108.332   10.700   33.216   6.0971   30.777   9.5790   34.878   7.9052  104.479   16.967  112.185   13.040 -7.705132 21.39916 
1 1 1  -30   13   31 o  114.256   10.066   36.719   6.0640   35.055   9.5576   37.840   7.8453  111.635   15.844  116.877   12.422 -5.241493 20.13293 
1 1 1  -30   13   32 o  144.596   8.1981   56.364   6.2675   64.986   10.207   51.145   7.9410  153.018   12.344  136.175   10.792 16.84355 16.39627 
1 1 1  -30   13   33 o   83.616   12.493   22.896   5.9158   6.7068   9.0836   34.820   7.7957   55.427   21.396  111.804   12.904 -56.37678 24.98620 
1 1 1  -30   13   34 f   79.342   13.200   18.277   5.5780   24.172   8.5711   13.945   7.3467   90.334   18.188   68.350   19.134 21.98360 26.39941 
1 1 1  -30   13   35 f   30.871   14.799  -9.2679   7.0890   0.0000   0.0000  -9.2679   7.0890  ?   ?    30.871   14.799      ?      ? 
1 1 1  -30   13   36 o   73.009   13.994   16.611   5.8386   11.272   8.9009   20.642   7.7353   62.845   21.639   83.174   17.752 -20.32921 27.98886 
1 1 1  -30   13   37 o   92.013   12.839   27.318   6.0420   15.931   9.4694   35.136   7.8468   72.129   22.158  111.897   12.977 -39.76751 25.67867 
1 1 1  -30   13   38 o  284.836   6.2738  222.395   9.5344  230.247   14.805  216.832   12.463  288.718   9.4897  280.954   8.2089 7.763519 12.54756 
1 1 1  -30   13   39 o   43.527   12.879  -1.2072   5.8994 -13.3220   9.2427   7.1212   7.6634   33.905   16.414   53.150   19.851 -19.24509 25.75768 
1 1 1  -30   13   40 o  150.172   11.482   63.195   9.3177   0.0000   0.0000   63.195   9.3177  ?   ?   150.172   11.482      ?      ? 
1 1 1  -30   13   41 o   40.437   12.852  -2.4052   5.7544  -0.5744   9.0491  -3.6482   7.4561   44.122   19.455   36.752   16.799 7.370098 25.70381 
1 1 1  -30   13   42 o  108.174   11.148   32.030   6.3212   42.978   10.615   26.015   7.8685  121.490   16.169   94.860   15.350 26.63000 22.29547 
1 1 1  -30   13   43 o   60.095   15.208   9.4648   6.2635   15.548   10.063   5.6178   8.0027   69.792   23.005   50.398   19.899 19.39463 30.41672 
1 1 1  -30   13   44 o   72.142   15.022   17.422   6.4419   11.887   10.606   20.658   8.1090   63.112   23.396   81.172   18.849 -18.06002 30.04400 
1 1 1  -30   13   45 o   50.608   14.217   0.2676   6.5893   14.460   10.292  -9.5907   8.5777   67.035   23.258   34.182   16.358 32.85324 28.43466 
1 1 1  -30   13   46 o   60.173   15.228   11.359   6.6961   4.7208   10.590   15.781   8.6432   51.620   21.887   68.726   21.179 -17.10612 30.45602 
1 1 1  -30   13   47 o   57.736   17.537   6.4325   9.7264   6.4392   15.223   6.4279   12.644   59.095   25.661   56.376   23.910 2.719036 35.07387 
1 1 1  -30   13   48 o  183.532   13.397   89.886   12.312  159.617   22.581   60.383   14.688  227.981   18.330  139.083   19.543 88.89850 26.79398 
1 1 1  -30   13   50 o   65.238   18.483   17.403   9.7741   19.041   15.470   16.315   12.610   66.504   27.170   63.972   25.066 2.531387 36.96597 
1 1 1  -30   13   51 o   65.456   15.499   15.174   7.0785   6.9793   10.544   21.897   9.5504   52.646   22.053   78.267   21.782 -25.62148 30.99709 
1 1 1  -30   13   52 o   53.315   15.306   8.7792   6.8385   12.486   10.557   6.0995   8.9762   58.215   22.896   48.415   20.318 9.800041 30.61128 
1 1 1  -30   14    1 o  149.485   7.7618   59.934   6.2198   69.188   9.5430   53.099   8.2011  159.350   11.083  139.621   10.870 19.72914 15.52365 
1 1 1  -30   14    2 o   90.026   12.964   22.781   6.1998   28.808   9.0246   17.394   8.5319  102.328   16.321   77.724   20.148 24.60440 25.92872 
1 1 1  -30   14    3 o  250.210   6.2597  171.708   8.3471  158.436   12.607  182.068   11.138  241.389   9.6649  259.030   7.9576 -17.64153 12.51939 
1 1 1  -30   14    4 o  154.604   8.3659   61.021   6.6936   80.315   11.716   51.672   8.1556  171.480   12.644  137.729   10.958 33.75128 16.73181 
1 1 1  -30   14    5 o  104.391   10.377   29.759   5.7467   30.496   9.0778   29.267   7.4236  105.327   15.950  103.455   13.279 1.872169 20.75403 
1 1 1  -30   14    6 o   53.152   13.288   1.4754   5.9986   14.835   8.7115 -10.5698   8.2720   72.232   21.038   34.073   16.239 38.15907 26.57623 
1 1 1  -30   14    7 o  147.723   9.3965   59.332   7.4433   62.455   11.360   56.982   9.8532  151.021   13.920  144.424   12.626 6.597794 18.79300 
1 1 1  -30   14    8 o  140.961   10.108   55.232   7.5600   49.505   11.464   59.640   10.057  134.178   15.812  147.744   12.597 -13.56664 20.21586 
1 1 1  -30   14    9 o  108.981   12.633   32.098   7.0954   44.775   11.166   23.514   9.1890  127.529   16.204   90.434   19.386 37.09429 25.26637 
1 1 1  -30   14   10 o  126.355   10.967   43.362   7.3995   53.851   11.094   34.955   9.9314  140.071   14.657  112.640   16.317 27.43074 21.93304 
1 1 1  -30   14   11 o  223.927   7.4014  128.107   8.3705  160.743   15.422  114.477   9.9664  242.643   11.762  205.211   8.9877 37.43143 14.80276 
1 1 1  -30   14   12 o  139.513   8.6239   54.050   6.3422   48.810   9.8435   57.768   8.2929  133.436   13.652  145.590   10.541 -12.15395 17.24787 
1 1 1  -30   14   13 o  209.234   6.8948  121.206   7.6288  107.521   11.658  131.454   10.089  198.536   10.867  219.931   8.4890 -21.39549 13.78967 
1 1 1  -30   14   14 o  119.005   10.487   40.696   6.4080   31.972   10.078   46.616   8.3022  107.420   17.363  130.590   11.765 -23.16975 20.97328 
1 1 1  -30   14   15 o  279.668   6.1816  212.281   9.2067  215.433   14.334  210.067   12.012  281.279   9.4307  278.057   7.9946 3.221436 12.36330 
1 1 1  -30   14   16 o  198.215   7.0410  107.623   7.3647  104.640   11.663  109.602   9.4978  195.718   11.028  200.711   8.7572 -4.992691 14.08204 
1 1 1  -30   14   17 o  215.125   6.6627  126.613   7.6033  123.144   11.857  129.035   9.9085  212.434   10.329  217.817   8.4184 -5.383224 13.32540 
1 1 1  -30   14   18 o   70.438   14.142   13.463   5.6895   19.535   8.9255   9.3062   7.3842   81.874   20.280   59.003   19.717 22.87061 28.28492 
1 1 1  -30   14   19 o   71.999   14.520   14.967   5.7857   14.363   9.6963   15.301   7.2098   71.311   22.506   72.686   18.353 -1.375153 29.04007 
1 1 1  -30   14   20 o   99.673   11.557   26.927   6.0978   30.699   9.8780   24.605   7.7509  105.007   17.408   94.339   15.204 10.66784 23.11342 
1 1 1  -30   14   21 f  124.567   15.397   44.087   9.5143   46.374   16.620   42.973   11.604  124.932   25.483  124.201   17.289 0.7309647 30.79446 
1 1 1  -30   14   22 o   91.114   18.419   25.347   9.4352   20.403   16.066   27.950   11.657   84.995   29.080   97.234   22.614 -12.23990 36.83799 
1 1 1  -30   14   23 o  188.755   8.8129   99.394   8.7640  105.230   11.415   91.013   13.678  196.025   10.776  181.484   13.948 14.54062 17.62580 
1 1 1  -30   14   24 o  231.283   8.2830  145.779   10.352   0.0000   0.0000  145.779   10.352  ?   ?   231.283   8.2830      ?      ? 
1 1 1  -30   14   25 o  105.159   15.443   30.995   7.0242   34.685   15.962   30.109   7.8222  106.086   27.587  104.231   13.888 1.854996 30.88543 
1 1 1  -30   14   26 o  145.324   8.8081   57.786   6.7962   60.925   10.770   55.709   8.7605  148.325   13.438  142.322   11.391 6.002289 17.61626 
1 1 1  -30   14   27 o   69.700   16.359   12.350   7.4223   6.4307   9.7291   20.592   11.480   56.605   22.062   82.795   24.162 -26.18982 32.71868 
1 1 1  -30   14   28 o  184.173   7.1784   92.797   7.0477   94.655   10.943   91.481   9.2125  185.524   10.916  182.821   9.3253 2.703003 14.35689 
1 1 1  -30   14   29 o  193.484   7.0522  104.129   7.2328   94.446   11.050  111.387   9.5670  185.165   11.044  201.802   8.7733 -16.63689 14.10433 
1 1 1  -30   14   30 o  172.066   7.4844   82.230   6.8113   78.004   10.630   85.174   8.8719  167.912   11.716  176.220   9.3169 -8.308090 14.96875 
1 1 1  -30   14   31 o   68.079   14.308   14.015   5.6967   10.841   9.1465   16.027   7.2815   62.777   21.918   73.380   18.398 -10.60366 28.61560 
1 1 1  -30   14   32 f   64.699   14.337   10.988   5.6262   18.007   9.1510   6.7224   7.1337   77.068   21.275   52.330   19.225 24.73816 28.67492 
1 1 1  -30   14   33 o  135.264   8.7334   52.313   6.1566   44.813   9.6424   57.476   7.9994  126.226   14.137  144.303   10.259 -18.07724 17.46675 
1 1 1  -30   14   34 o   35.973   11.930  -6.9436   5.7066  -7.3711   9.1229  -6.6689   7.3142   38.197   17.847   33.749   15.836 4.448357 23.86022 
1 1 1  -30   14   35 o   71.581   14.557   15.646   5.8847   14.891   9.2705   16.156   7.6159   70.104   21.989   73.058   19.083 -2.954102 29.11457 
1 1 1  -30   14   36 o   79.920   14.538   19.062   6.2466   23.593   9.8720   16.036   8.0668   87.386   21.137   72.454   19.965 14.93221 29.07508 
1 1 1  -30   14   37 o  214.572   10.752  128.053   12.466  128.053   12.466   0.0000   0.0000  214.572   10.752  ?   ?       ?      ? 
1 1 1  -30   14   38 o   56.128   14.727   8.2038   6.1061   3.6659   9.9264   10.966   7.7448   51.378   21.449   60.878   20.187 -9.499367 29.45492 
1 1 1  -30   14   39 o   48.273   13.726   2.7950   6.0940  -6.4475   9.6004   9.0322   7.8866   39.718   18.474   56.828   20.305 -17.10939 27.45144 
1 1 1  -30   14   40 o   51.644   14.103   5.9683   5.8533   0.3555   9.4038   9.5182   7.4786   45.953   20.059   57.336   19.830 -11.38309 28.20582 
1 1 1  -30   14   41 o   51.503   14.617   4.6857   6.1475   8.7166   9.7535   2.0290   7.9184   58.081   22.235   44.926   18.980 13.15509 29.23418 
1 1 1  -30   14   42 o  119.030   10.427   41.294   6.5173   39.804   10.378   42.265   8.3744  116.219   16.526  121.840   12.720 -5.621567 20.85406 
1 1 1  -30   14   43 o   63.044   14.846   12.469   6.2414   6.8003   9.7784   16.367   8.1079   54.474   21.836   71.614   20.120 -17.14032 29.69181 
1 1 1  -30   14   44 o   67.996   15.358   14.124   6.4475   20.698   10.073   9.5607   8.3918   78.777   22.529   57.215   20.877 21.56199 30.71504 
1 1 1  -30   14   45 o   53.794   15.166   5.7506   6.5712   13.441   10.917   1.3820   8.2286   64.086   23.741   43.503   18.879 20.58302 30.33187 
1 1 1  -30   14   46 f   51.745   16.340   0.9556   9.1967   2.9887   14.190  -0.5169   12.076   54.838   24.262   48.652   21.893 6.186638 32.67918 
1 1 1  -30   14   47 o  216.299   11.056  137.997   12.641  143.896   20.182  134.189   16.216  218.124   17.123  214.473   13.992 3.651276 22.11252 
1 1 1  -30   14   49 o  130.589   15.906   59.377   10.761   75.248   17.753   50.158   13.531  143.387   22.913  117.790   22.069 25.59698 31.81248 
1 1 1  -30   14   50 o   41.454   13.592  -4.0087   7.2871   0.0480   10.634  -7.5998   10.005   45.179   20.417   37.729   17.947 7.450035 27.18379 
1 1 1  -30   14   51 o   67.714   16.566   18.306   7.3717   17.928   11.270   18.588   9.7454   66.346   24.196   69.082   22.632 -2.736580 33.13134 
1 1 1  -30   15    1 o  231.971   7.0789  146.966   8.8376  151.070   12.074  142.230   12.971  235.568   9.4851  228.375   10.511 7.192993 14.15779 
1 1 1  -30   15    2 o  213.158   10.706  123.941   12.331   0.0000   0.0000  123.941   12.331  ?   ?   213.158   10.706      ?      ? 
1 1 1  -30   15    3 o  319.348   7.8074  278.621   13.454  272.072   19.404  284.685   18.671  315.631   11.377  323.065   10.695 -7.433807 15.61480 
1 1 1  -30   15    4 o  132.124   10.413   48.577   7.3006   44.595   11.162   51.554   9.6511  127.080   16.255  137.168   13.021 -10.08792 20.82692 
1 1 1  -30   15    5 o  102.106   13.741   29.593   7.2693   33.649   10.993   26.441   9.6906  108.382   19.486   95.831   19.380 12.55116 27.48238 
1 1 1  -30   15    6 o  147.375   9.5389   59.643   7.5386   59.077   11.351   60.090   10.084  146.606   14.328  148.145   12.596 -1.538864 19.07787 
1 1 1  -30   15    7 o  225.577   8.0310  139.164   9.7326  137.342   14.513  140.653   13.120  224.094   11.985  227.060   10.693 -2.965240 16.06200 
1 1 1  -30   15    8 o   88.756   13.301   19.616   6.3008   36.622   10.753   10.723   7.7757  114.945   17.312   62.566   20.197 52.37846 26.60126 
1 1 1  -30   15    9 o  156.402   7.9500   67.148   6.5985   65.023   10.262   68.646   8.6155  154.109   12.324  158.695   10.047 -4.585251 15.90001 
1 1 1  -30   15   10 f  200.912   6.9651  110.959   7.4826  101.789   11.127  118.530   10.110  193.120   10.662  208.704   8.9648 -15.58446 13.93018 
1 1 1  -30   15   11 o   73.245   14.327   14.786   5.9920   21.348   9.1351   9.8312   7.9383   85.697   20.078   60.793   20.443 24.90425 28.65405 
1 1 1  -30   15   12 o  268.563   9.5464  196.519   13.854  196.519   13.854   0.0000   0.0000  268.563   9.5464  ?   ?       ?      ? 
1 1 1  -30   15   13 o  250.792   8.3679  171.057   11.340   0.0000   0.0000  171.057   11.340  ?   ?   250.792   8.3679      ?      ? 
1 1 1  -30   15   14 o  288.205   6.3595  228.281   9.7805  210.068   14.683  242.808   13.113  277.569   9.7893  298.840   8.1205 -21.27087 12.71896 
1 1 1  -30   15   15 o  215.461   6.8294  126.770   7.8302  125.363   12.143  127.772   10.245  214.263   10.488  216.660   8.7506 -2.396896 13.65882 
1 1 1  -30   15   16 o  133.494   9.2195   47.707   6.4830   54.504   10.668   43.727   8.1633  140.664   14.035  126.324   11.959 14.34007 18.43905 
1 1 1  -30   15   17 o   51.404   14.307   3.1572   5.7749   8.9551   9.6160  -0.1136   7.2225   61.162   22.343   41.645   17.877 19.51661 28.61481 
1 1 1  -30   15   18 o  113.194   10.808   35.662   6.4362   34.542   10.255   36.390   8.2671  111.393   17.037  114.995   13.304 -3.602661 21.61625 
1 1 1  -30   15   19 o  222.004   6.7229  133.842   7.9425  138.055   12.441  130.944   10.319  224.765   10.243  219.243   8.7104 5.522522 13.44581 
1 1 1  -30   15   20 o   89.819   19.066   24.600   9.9791   19.227   16.770   27.545   12.417   83.603   29.637   96.035   23.995 -12.43233 38.13273 
1 1 1  -30   15   21 o  135.728   15.689   54.325   10.229   51.261   18.287   55.721   12.340  130.109   26.899  141.348   16.156 -11.23914 31.37752 
1 1 1  -30   15   22 o  194.812   8.7635  104.536   9.0570  104.281   11.743  104.910   14.230  194.884   11.151  194.740   13.523 0.1443176 17.52700 
1 1 1  -30   15   23 f  134.000   9.1106   48.960   6.5031   53.371   10.252   45.990   8.4120  138.800   13.669  129.201   12.049 9.599091 18.22118 
1 1 1  -30   15   24 o   72.076   14.742   14.503   5.9818   19.375   9.6920   11.505   7.6026   80.646   21.744   63.506   19.912 17.14030 29.48370 
1 1 1  -30   15   25 o   38.161   12.506  -9.0357   5.8615  -0.4314   9.9405 -13.6221   7.2575   47.771   20.740   28.551   13.981 19.21993 25.01230 
1 1 1  -30   15   26 o  109.148   16.180   35.228   7.3930   35.248   17.443   35.223   8.1624  105.634   29.452  112.662   13.408 -7.027565 32.36017 
1 1 1  -30   15   27 o   68.824   15.329   13.846   6.3388   12.852   9.8343   14.552   8.2910   67.462   22.753   70.185   20.547 -2.723267 30.65798 
1 1 1  -30   15   28 o  120.185   12.354   42.359   7.6357   48.096   10.315   35.405   11.357  131.019   14.570  109.352   19.954 21.66644 24.70744 
1 1 1  -30   15   29 o  134.459   11.605   50.058   8.4315   0.0000   0.0000   50.058   8.4315  ?   ?   134.459   11.605      ?      ? 
1 1 1  -30   15   30 o   65.270   14.147   9.7592   5.9786   22.035   9.6721   2.1685   7.6056   85.213   21.113   45.327   18.836 39.88602 28.29470 
1 1 1  -30   15   31 o  179.128   7.4104   89.190   7.0101   85.652   11.027   91.590   9.0812  175.686   11.616  182.571   9.2050 -6.884918 14.82081 
1 1 1  -30   15   32 o   55.087   14.436   7.4646   5.6366   8.6044   8.8019   6.6722   7.3388   57.877   21.341   52.297   19.447 5.579643 28.87237 
1 1 1  -30   15   33 o   39.477   12.677  -4.7250   5.7737   0.0625   9.2386  -7.7932   7.3959   45.971   19.977   32.983   15.614 12.98815 25.35463 
1 1 1  -30   15   34 o  123.050   9.6084   41.380   6.2926   51.152   9.9721   34.915   8.1114  134.722   13.698  111.378   13.478 23.34396 19.21674 
1 1 1  -30   15   35 o   43.442   13.345  -0.7250   5.6705   3.3733   9.3384  -3.1187   7.1368   50.174   20.863   36.709   16.645 13.46484 26.68966 
1 1 1  -30   15   36 o  105.752   12.023   34.420   6.2024   27.920   10.290   38.128   7.7730   95.019   20.633  116.484   12.349 -21.46461 24.04613 
1 1 1  -30   15   37 f  111.502   10.862   35.275   6.2980   37.739   10.557   33.913   7.8474  113.613   17.196  109.390   13.276 4.223198 21.72412 
1 1 1  -30   15   38 o   45.089   13.720  -1.2265   6.0534   6.6048   9.9121  -5.8847   7.6446   55.105   22.021   35.073   16.371 20.03152 27.43987 
1 1 1  -30   15   39 o  137.918   9.6581   56.437   6.8042   45.604   10.872   63.412   8.7241  125.192   16.070  150.644   10.717 -25.45164 19.31625 
1 1 1  -30   15   40 o   44.399   13.706   0.4254   6.0541  -0.6753   10.000   1.0622   7.6063   45.979   20.354   42.819   18.362 3.159882 27.41249 
1 1 1  -30   15   41 o   85.188   14.082   22.831   6.2708   23.643   9.9260   22.292   8.0896   85.493   21.506   84.884   18.184 0.6084518 28.16306 
1 1 1  -30   15   42 o   99.226   13.267   32.047   6.6049   23.590   10.592   37.428   8.4489   84.473   22.713  113.979   13.718 -29.50652 26.53374 
1 1 1  -30   15   43 o   64.314   14.863   9.9145   6.4582   24.121   10.716   1.8124   8.0929   84.439   22.906   44.189   18.945 40.25012 29.72511 
1 1 1  -30   15   44 o   37.314   12.496  -7.8915   6.4144  -3.8073   10.442 -10.3668   8.1290   42.534   19.602   32.094   15.502 10.44009 24.99139 
1 1 1  -30   15   45 o  163.555   12.070   80.043   10.584   89.752   16.261   72.905   13.942  171.552   17.541  155.559   16.586 15.99338 24.14098 
1 1 1  -30   15   46 f   76.856   19.534   21.297   10.250   22.635   15.807   20.327   13.464   78.198   28.635   75.514   26.578 2.684013 39.06840 
1 1 1  -30   15   47 o   47.768   22.034  -1.8971   13.237   0.0000   0.0000  -1.8971   13.237  ?   ?    47.768   22.034      ?      ? 
1 1 1  -30   15   48 o   58.934   18.175   10.308   10.669   17.689   17.026   5.5360   13.690   65.136   27.690   52.733   23.550 12.40287 36.35011 
1 1 1  -30   15   49 o   38.741   12.951  -7.2313   7.2866 -12.9517   10.821  -2.4859   9.8559   36.001   17.506   41.480   19.090 -5.479000 25.90112 
1 1 1  -30   15   50 o   45.278   14.368   2.0137   7.3219   0.4672   10.710   3.3710   10.033   44.296   20.202   46.259   20.437 -1.962238 28.73668 
1 1 1  -30   16    1 o  121.845   10.949   41.018   7.2004   41.374   10.459   40.698   9.9273  122.285   15.829  121.405   15.132 0.8799210 21.89821 
1 1 1  -30   16    2 o  125.749   11.099   44.960   7.3105   34.347   10.726   54.167   9.9901  111.065   17.872  140.432   13.165 -29.36680 22.19766 
1 1 1  -30   16    3 o  175.748   8.5291   84.810   8.0753   81.464   11.739   87.815   11.126  172.339   12.606  179.157   11.492 -6.818497 17.05811 
1 1 1  -30   16    4 o  140.839   9.2086   52.485   6.7599   61.914   11.498   47.504   8.3568  149.944   14.191  131.734   11.740 18.21068 18.41728 
1 1 1  -30   16    5 o  155.327   8.1697   67.297   6.7086   57.947   10.136   74.587   8.9496  145.296   12.910  165.359   10.016 -20.06389 16.33932 
1 1 1  -30   16    6 o  237.717   6.4939  153.637   8.2663  155.954   12.605  151.889   10.950  239.165   9.7533  236.270   8.5764 2.895218 12.98776 
1 1 1  -30   16    7 o   70.271   14.443   14.433   5.8700   11.097   9.2189   16.709   7.6126   64.630   22.029   75.913   18.684 -11.28350 28.88532 
1 1 1  -30   16    8 o  137.890   8.7403   51.516   6.4727   58.238   9.8277   46.366   8.6018  145.721   12.481  130.059   12.239 15.66165 17.48069 
1 1 1  -30   16    9 o  129.449   9.6168   47.197   6.5591   38.572   9.7828   54.240   8.8406  118.137   15.325  140.762   11.623 -22.62466 19.23368 
1 1 1  -30   16   10 o  129.572   9.4013   46.506   6.4935   43.706   9.8523   48.656   8.6341  125.891   14.483  133.254   11.991 -7.363274 18.80251 
1 1 1  -30   16   11 o  135.609   9.1271   51.139   6.5799   46.255   9.9445   54.942   8.7754  129.544   14.206  141.674   11.463 -12.13023 18.25415 
1 1 1  -30   16   12 o  104.533   11.318   30.071   6.3344   31.868   9.7453   28.756   8.3353  107.076   16.843  101.989   15.124 5.087196 22.63692 
1 1 1  -30   16   13 o   73.655   14.297   16.113   6.0693   10.361   9.2273   20.499   8.0577   63.157   22.016   84.154   18.245 -20.99746 28.59367 
1 1 1  -30   16   14 o   95.424   12.837   28.767   6.2492   13.864   9.5161   40.067   8.2864   70.094   22.314  120.754   12.699 -50.65994 25.67473 
1 1 1  -30   16   15 o  106.143   10.921   31.026   6.2048   32.691   9.5462   29.807   8.1647  108.442   16.291  103.844   14.550 4.598045 21.84269 
1 1 1  -30   16   16 f  119.871   11.061   42.225   6.6148   31.139   10.069   50.642   8.7736  103.931   18.612  135.811   11.955 -31.88010 22.12129 
1 1 1  -30   16   17 o  101.862   12.220   29.885   6.4338   26.862   9.8038   32.173   8.5268   95.974   19.568  107.751   14.645 -11.77753 24.44087 
1 1 1  -30   16   18 o   59.012   17.387  -1.5235   7.2252   16.480   17.803  -5.0733   7.9055   80.493   30.218   37.531   17.207 42.96154 34.77388 
1 1 1  -30   16   19 o   83.318   19.602   20.312   10.113   18.245   17.224   21.399   12.493   82.049   29.914   84.587   25.340 -2.537468 39.20412 
1 1 1  -30   16   20 o   59.575   17.850   2.9461   9.8213  -3.3333   16.821   6.1937   12.097   58.830   26.201   60.320   24.249 -1.489342 35.70039 
1 1 1  -30   16   21 o  111.888   11.703   36.574   6.5481   31.645   10.582   39.634   8.3358  104.034   19.541  119.743   12.883 -15.70840 23.40536 
1 1 1  -30   16   22 f   42.675   18.414  -0.1768   7.7396   0.0000   0.0000  -0.1768   7.7396  ?   ?    42.675   18.414      ?      ? 
1 1 1  -30   16   23 o   39.512   12.784  -5.3005   5.9531  -2.7225   9.5640  -6.9311   7.6063   44.297   19.740   34.727   16.249 9.570377 25.56763 
1 1 1  -30   16   24 o   43.762   13.563  -0.9441   5.9871  -1.8452   9.7621  -0.4009   7.5801   45.659   20.166   41.865   18.144 3.794163 27.12667 
1 1 1  -30   16   25 o   86.590   14.171   21.841   6.3787   25.183   10.268   19.742   8.1399   91.561   21.176   81.620   18.838 9.940468 28.34232 
1 1 1  -30   16   26 o  270.568   6.5437  199.027   9.3466  209.042   15.062  192.755   11.919  275.661   10.112  265.475   8.3086 10.18518 13.08734 
1 1 1  -30   16   27 o  117.652   14.770   33.218   7.3884   56.081   17.871   28.504   8.1144  134.643   25.496  100.661   14.918 33.98272 29.53941 
1 1 1  -30   16   28 o   44.310   12.735  -4.7798   6.2938 -25.5392   9.8837   9.3798   8.1628   29.691   14.842   58.928   20.698 -29.23707 25.46949 
1 1 1  -30   16   29 o   50.567   15.201  -1.7451   7.6245  -9.4668   10.036   8.7950   11.725   38.995   18.377   62.140   24.220 -23.14585 30.40213 
1 1 1  -30   16   30 o   54.909   13.931   3.4840   6.0804   16.340   9.4802  -5.5006   7.9252   73.170   22.109   36.648   16.955 36.52219 27.86181 
1 1 1  -30   16   31 o  133.134   9.3573   49.643   6.6394   50.451   10.299   49.069   8.6853  133.656   14.260  132.613   12.120 1.042923 18.71462 
1 1 1  -30   16   32 o   94.534   13.114   27.993   6.3452   19.775   9.9141   33.696   8.2582   79.802   22.188  109.267   13.987 -29.46486 26.22818 
1 1 1  -30   16   33 o   98.984   13.074   31.220   6.4944   20.758   10.210   38.331   8.4168   81.356   22.478  116.613   13.357 -35.25708 26.14714 
1 1 1  -30   16   34 o   36.918   12.124  -6.2834   5.9162 -13.4026   9.7276  -2.1040   7.4532   35.129   16.966   38.708   17.325 -3.578819 24.24846 
1 1 1  -30   16   35 o   58.727   14.984   9.2334   5.9938   11.757   9.5218   7.5771   7.7138   63.459   22.349   53.995   19.965 9.463860 29.96834 
1 1 1  -30   16   36 o  115.960   10.387   37.846   6.3639   42.191   10.328   35.186   8.0804  120.667   15.839  111.253   13.441 9.413979 20.77316 
1 1 1  -30   16   37 o   54.238   13.464   6.4722   5.9958  -6.6266   9.6301   14.765   7.6621   39.558   18.434   68.918   19.628 -29.35986 26.92706 
1 1 1  -30   16   38 o   57.548   15.055   8.7011   6.0598   10.902   9.8553   7.3633   7.6840   61.806   22.613   53.289   19.882 8.517582 30.11099 
1 1 1  -30   16   39 o  136.746   10.015   55.228   7.0445   48.138   11.387   59.624   8.9661  127.974   16.467  145.518   11.402 -17.54462 20.02926 
1 1 1  -30   16   40 o  118.337   10.973   40.630   6.9058   43.318   10.887   38.820   8.9326  120.872   16.669  115.802   14.275 5.070122 21.94611 
1 1 1  -30   16   41 o  116.307   12.273   41.667   7.2167   36.861   11.388   44.892   9.3292  107.961   20.264  124.653   13.850 -16.69272 24.54509 
1 1 1  -30   16   42 o   40.542   13.207  -3.8073   6.5762  -3.8022   10.342  -3.8108   8.5207   42.536   19.568   38.547   17.744 3.988846 26.41472 
1 1 1  -30   16   43 o   79.696   17.793   22.714   8.5281   21.188   11.419   24.640   12.824   77.296   24.426   82.096   25.880 -4.800545 35.58619 
1 1 1  -30   16   44 o  101.396   18.435   37.104   10.209   33.108   15.264   40.338   13.733   94.148   27.965  108.645   24.029 -14.49623 36.87042 
1 1 1  -30   16   45 o   49.607   15.715  -6.0664   9.2311   10.622   14.020 -18.8378   12.265   62.367   25.716   36.847   18.070 25.51983 31.43021 
1 1 1  -30   16   46 f   52.806   23.294   5.3919   12.986   0.0000   0.0000   5.3919   12.986  ?   ?    52.806   23.294      ?      ? 
1 1 1  -30   16   47 o   62.772   18.378   14.603   10.349   9.5721   17.205   17.455   12.955   59.084   26.393   66.460   25.581 -7.375801 36.75552 
1 1 1  -30   16   48 o   37.784   13.172 -18.9161   8.9278 -24.9319   11.411  -9.4212   14.335   31.663   15.846   43.904   21.047 -12.24166 26.34473 
1 1 1  -30   16   49 o  106.077   13.580   39.077   7.4390   36.708   11.451   40.806   9.7851   99.485   21.894  112.668   16.072 -13.18295 27.16006 
1 1 1  -30   17    1 o  140.862   8.9568   54.061   6.6712   56.802   10.701   52.319   8.5324  143.534   13.796  138.190   11.426 5.344330 17.91369 
1 1 1  -30   17    2 o  191.563   7.7277  100.482   7.7242  100.135   12.674  100.686   9.7427  190.983   12.281  192.143   9.3836 -1.159851 15.45535 
1 1 1  -30   17    3 o  107.038   11.179   31.784   6.4159   31.732   9.6806   31.825   8.5679  106.786   16.776  107.291   14.778 -0.5052414 22.35727 
1 1 1  -30   17    4 o  214.222   7.0854  126.270   8.1285  116.163   12.016  134.796   11.037  206.078   10.791  222.366   9.1853 -16.28853 14.17078 
1 1 1  -30   17    5 o  162.042   10.541   71.784   9.2298   0.0000   0.0000   71.784   9.2298  ?   ?   162.042   10.541      ?      ? 
1 1 1  -30   17    6 o   85.619   13.724   22.018   6.2832   15.792   9.9378   26.165   8.1099   74.066   22.691   97.172   15.445 -23.10616 27.44827 
1 1 1  -30   17    7 o  112.789   10.668   34.054   6.3833   44.614   10.052   26.920   8.2629  127.036   14.644   98.542   15.518 28.49441 21.33643 
1 1 1  -30   17    8 o   43.392   13.445  -1.4805   6.0360  -3.3645   9.0453   0.0320   8.1045   42.611   19.078   44.174   18.949 -1.562851 26.88927 
1 1 1  -30   17    9 o  177.025   7.6501   86.316   7.2356   81.701   10.913   89.936   9.6653  172.582   11.702  181.468   9.8566 -8.885986 15.30029 
1 1 1  -30   17   10 o  106.102   11.695   30.765   6.4684   38.621   10.230   25.532   8.3492  117.844   16.065   94.361   17.000 23.48235 23.38980 
1 1 1  -30   17   11 o   45.758   13.906  -0.8249   6.1327   3.2636   9.7254  -3.5239   7.9017   52.293   21.473   39.223   17.674 13.07004 27.81131 
1 1 1  -30   17   12 o  127.828   9.9742   45.950   6.7284   41.080   10.358   49.505   8.8499  121.495   15.777  134.160   12.207 -12.66457 19.94841 
1 1 1  -30   17   13 o  294.685   8.4303  236.709   13.424   0.0000   0.0000  236.709   13.424  ?   ?   294.685   8.4303      ?      ? 
1 1 1  -30   17   14 o  132.475   9.2496   48.356   6.4835   48.992   10.291   47.937   8.3488  132.911   14.329  132.040   11.701 0.8702393 18.49930 
1 1 1  -30   17   15 o  155.097   8.3337   65.985   6.8855   67.399   10.719   64.993   8.9841  156.282   12.693  153.912   10.802 2.370361 16.66730 
1 1 1  -30   17   16 o   44.252   13.728  -1.4295   6.2315  -0.4305   9.5591  -2.1677   8.2176   46.977   20.367   41.526   18.413 5.450169 27.45639 
1 1 1  -30   17   17 f  104.944   16.802   33.568   7.6715   30.315   17.898   34.301   8.4910   98.739   30.485  111.150   14.137 -12.41116 33.60355 
1 1 1  -30   17   18 o  171.346   13.632   84.495   11.929   80.023   20.134   86.914   14.808  166.313   22.404  176.380   15.536 -10.06650 27.26381 
1 1 1  -30   17   19 o  171.692   12.849   83.042   11.215   84.640   19.501   82.252   13.708  171.592   21.031  171.793   14.767 -0.2004700 25.69800 
1 1 1  -30   17   20 f  148.543   8.8504   61.175   6.9823   60.043   10.865   61.971   9.1134  147.042   13.674  150.045   11.240 -3.003204 17.70081 
1 1 1  -30   17   21 o   71.484   14.947   15.180   6.1316   13.798   9.7988   16.070   7.8608   69.312   22.694   73.657   19.459 -4.344833 29.89390 
1 1 1  -30   17   22 f  117.602   10.219   37.563   6.4023   46.576   10.075   31.459   8.2917  129.104   14.442  106.099   14.462 23.00558 20.43831 
1 1 1  -30   17   23 o  129.437   10.026   46.326   6.8577   49.392   11.045   44.402   8.7483  132.479   15.429  126.396   12.809 6.082726 20.05253 
1 1 1  -30   17   24 o   49.493   13.970   2.9718   6.1736  -5.9622   9.8889   8.6777   7.9028   41.651   19.151   57.336   20.343 -15.68523 27.93907 
1 1 1  -30   17   25 o   40.709   13.108  -4.3169   6.1008  -2.8017   10.051  -5.2008   7.6767   45.031   20.139   36.388   16.783 8.642540 26.21581 
1 1 1  -30   17   26 o  265.410   6.6008  193.536   9.3641  193.520   14.327  193.548   12.373  265.075   10.002  265.745   8.6161 -0.6706238 13.20154 
1 1 1  -30   17   27 o   53.567   15.124   5.3707   6.4791   5.8631   10.394   5.0578   8.2860   55.990   22.488   51.144   20.231 4.845844 30.24884 
1 1 1  -30   17   28 o   64.572   17.436   10.131   6.9419   9.6802   17.305   10.218   7.5783   69.372   28.584   59.772   19.975 9.599663 34.87160 
1 1 1  -30   17   29 o  162.933   10.337   76.752   8.8749   90.096   12.129   61.374   13.020  179.507   12.504  146.359   16.463 33.14752 20.67339 
1 1 1  -30   17   30 o   73.226   16.762   16.517   7.6172   18.376   10.081   14.043   11.628   76.951   22.695   69.502   24.674 7.448891 33.52421 
1 1 1  -30   17   31 o   51.725   14.439   2.4534   6.2127   12.124   10.099  -3.4352   7.8803   64.984   23.003   38.466   17.461 26.51714 28.87891 
1 1 1  -30   17   32 o   96.331   13.138   29.760   6.3683   20.289   10.212   35.787   8.1464   80.144   22.602  112.518   13.399 -32.37410 26.27507 
1 1 1  -30   17   33 o   88.124   13.958   22.875   6.4346   31.268   10.261   17.436   8.2607  101.241   19.463   75.006   20.011 26.23537 27.91520 
1 1 1  -30   17   34 o   51.847   14.800   5.1069   6.1769   6.1772   10.377   4.5197   7.6870   55.299   22.379   48.394   19.374 6.905704 29.59992 
1 1 1  -30   17   35 o  102.492   12.705   33.792   6.3344   24.174   10.412   39.444   7.9814   86.882   22.120  118.102   12.506 -31.21931 25.41045 
1 1 1  -30   17   36 o   51.399   14.126   5.6660   5.9685  -1.3532   9.9307   9.6352   7.4677   45.204   20.132   57.595   19.821 -12.39089 28.25212 
1 1 1  -30   17   37 f   52.034   13.778   0.2122   6.1686   16.508   9.9357 -10.0089   7.8688   71.843   22.793   32.225   15.486 39.61729 27.55654 
1 1 1  -30   17   38 o  125.861   10.215   45.054   6.8287   50.355   10.903   41.634   8.7593  131.285   15.370  120.436   13.459 10.84882 20.42978 
1 1 1  -30   17   39 o  133.010   10.224   51.741   7.1317   49.256   11.348   53.363   9.1685  129.139   16.262  136.881   12.396 -7.741989 20.44774 
1 1 1  -30   17   40 o   41.822   13.411  -2.2609   6.3680  -2.0787   10.362  -2.3715   8.0721   44.479   20.122   39.166   17.736 5.312801 26.82269 
1 1 1  -30   17   41 o   57.071   15.693   9.3587   6.8844   8.6444   10.959   9.8244   8.8482   57.013   23.024   57.129   21.331 -0.1157227 31.38639 
1 1 1  -30   17   42 o  179.352   11.340   94.615   10.885  110.743   16.859   83.086   14.253  191.978   16.251  166.726   15.821 25.25226 22.68035 
1 1 1  -30   17   43 f   73.936   18.506   17.776   9.3762   27.297   14.608   11.106   12.227   85.807   27.682   62.065   24.568 23.74166 37.01152 
1 1 1  -30   17   44 o  140.536   14.075   63.139   10.627   64.324   15.911   62.185   14.278  140.539   20.952  140.532   18.802 0.6607056E-02 28.15086 
1 1 1  -30   17   45 o   80.598   20.906   27.365   11.641   49.009   20.240   16.664   14.231   96.970   32.642   64.225   26.128 32.74534 41.81143 
1 1 1  -30   17   46 o   46.710   15.427  -5.5667   10.224 -24.5270   17.700   3.9257   12.524   42.124   20.856   51.296   22.739 -9.171547 30.85499 
1 1 1  -30   17   47 o   55.335   16.585   8.6807   8.7867   12.442   11.798   3.9955   13.168   59.451   23.930   51.220   22.969 8.231739 33.16982 
1 1 1  -30   17   48 o   63.089   16.296   16.019   7.4175   12.491   11.569   18.482   9.6654   57.770   23.537   68.409   22.545 -10.63968 32.59240 
1 1 1  -30   18    1 o  131.958   9.6648   44.809   6.6245   67.320   11.071   32.254   8.2680  156.081   13.126  107.835   14.189 48.24609 19.32962 
1 1 1  -30   18    2 o  143.803   8.7235   57.560   6.6976   52.224   9.9701   61.947   9.0415  137.408   13.428  150.197   11.140 -12.78908 17.44706 
1 1 1  -30   18    3 o  146.323   8.7468   60.105   6.7571   52.573   10.308   65.780   8.9480  137.769   13.846  154.876   10.692 -17.10661 17.49353 
1 1 1  -30   18    4 f  122.001   10.218   40.587   6.5065   57.358   9.8981   27.825   8.6341  144.184   12.704   99.817   16.008 44.36726 20.43617 
1 1 1  -30   18    5 o  149.464   8.8220   60.999   7.0857   70.552   10.583   53.237   9.5394  160.025   12.239  138.904   12.709 21.12177 17.64390 
1 1 1  -30   18    6 o  122.288   10.165   41.778   6.6575   38.961   9.8789   44.121   9.0111  118.232   15.463  126.344   13.199 -8.112000 20.32987 
1 1 1  -30   18    7 o   46.385   13.887   1.0700   6.0164   0.4642   8.7114   1.6225   8.3192   46.075   19.702   46.694   19.576 -0.6195602 27.77373 
1 1 1  -30   18    8 o  226.614   6.9514  140.742   8.4316  139.063   12.791  142.033   11.212  225.210   10.511  228.019   9.0998 -2.808914 13.90272 
1 1 1  -30   18    9 o   72.992   14.854   14.702   6.3708   22.374   9.7596   9.0052   8.4096   86.814   21.027   59.170   20.986 27.64407 29.70776 
1 1 1  -30   18   10 f  257.009   6.7636  180.152   9.2853  184.227   14.322  177.197   12.196  259.284   10.222  254.734   8.8600 4.549652 13.52719 
1 1 1  -30   18   11 o   67.612   14.330   9.8498   6.3742   24.215   10.232   0.7399   8.1484   90.216   21.326   45.009   19.145 45.20747 28.65901 
1 1 1  -30   18   12 o  123.665   10.385   43.271   6.7389   39.135   10.577   46.097   8.7432  118.115   16.572  129.216   12.522 -11.10133 20.77054 
1 1 1  -30   18   13 o   54.289   14.463   6.0129   6.1286  -0.1746   9.4977   10.427   8.0223   47.080   20.356   61.498   20.551 -14.41842 28.92651 
1 1 1  -30   18   14 o   62.796   14.424   8.7749   6.1937   19.114   9.4843   1.0870   8.1786   80.080   21.476   45.513   19.262 34.56712 28.84845 
1 1 1  -30   18   15 o   88.377   13.771   21.794   6.6095   32.556   10.213   14.038   8.6701  107.366   17.603   69.389   21.183 37.97695 27.54230 
1 1 1  -30   18   16 o   66.236   19.398   6.1007   10.986   9.0991   18.195   4.3806   13.781   71.849   29.422   60.623   25.288 11.22623 38.79612 
1 1 1  -30   18   17 o   60.450   18.709   0.4181   10.500   2.5338   20.047  -0.3818   12.326   68.101   29.510   52.798   23.008 15.30345 37.41885 
1 1 1  -30   18   18 o  121.200   18.338   41.882   11.150   57.973   19.625   34.212   13.549  136.581   27.542  105.819   24.219 30.76193 36.67573 
1 1 1  -30   18   19 o  147.581   13.499   60.667   10.765   60.667   10.765   0.0000   0.0000  147.581   13.499  ?   ?       ?      ? 
1 1 1  -30   18   20 o   55.614   14.692   6.9897   6.2360   1.2429   9.7464   10.973   8.1142   48.982   20.889   62.245   20.664 -13.26274 29.38323 
1 1 1  -30   18   21 o  220.405   6.9860  133.549   8.2446  134.050   12.537  133.167   10.944  220.509   10.521  220.302   9.1934 0.2070923 13.97203 
1 1 1  -30   18   22 o  117.159   16.245   38.917   10.285   38.917   10.285   0.0000   0.0000  117.159   16.245  ?   ?       ?      ? 
1 1 1  -30   18   23 o   74.193   14.572   17.185   6.3978   9.5292   9.9700   22.546   8.3420   61.222   22.686   87.164   18.294 -25.94218 29.14302 
1 1 1  -30   18   24 o   83.775   14.579   20.776   6.4425   24.463   10.331   18.430   8.2414   89.391   21.623   78.159   19.560 11.23266 29.15736 
1 1 1  -30   18   25 o  165.926   8.1628   76.628   7.2286   75.787   11.084   77.250   9.5355  164.755   12.450  167.097   10.561 -2.341690 16.32553 
1 1 1  -30   18   26 o  111.370   11.187   35.090   6.6748   37.521   10.248   33.299   8.7963  114.406   16.578  108.334   15.026 6.072556 22.37404 
1 1 1  -30   18   27 f  142.885   9.3270   56.338   7.1271   64.313   11.096   50.738   9.2986  151.182   13.583  134.588   12.786 16.59421 18.65397 
1 1 1  -30   18   28 o  131.934   15.131   53.727   8.0282   50.383   18.212   54.534   8.9441  124.058   27.849  139.809   11.839 -15.75077 30.26137 
1 1 1  -30   18   29 o   42.237   14.607 -17.4899   6.9142  -0.2306   16.900 -20.9596   7.5774   59.094   26.294   25.380   12.732 33.71342 29.21454 
1 1 1  -30   18   30 o  179.930   9.4672   89.860   9.1153   79.215   11.929  104.797   14.131  167.485   13.181  192.375   13.594 -24.89014 18.93449 
1 1 1  -30   18   31 f   48.930   15.091   0.1676   7.4737  -2.1543   9.9274   3.2050   11.355   44.607   19.978   53.253   22.625 -8.645992 30.18286 
1 1 1  -30   18   32 o   66.579   15.226   13.859   6.3706   9.9422   10.211   16.355   8.1516   60.711   22.867   72.447   20.110 -11.73669 30.45197 
1 1 1  -30   18   33 o   48.552   14.294   3.2663   6.2727  -1.0688   10.288   5.8311   7.9136   46.238   20.548   50.867   19.877 -4.629406 28.58885 
1 1 1  -30   18   34 o  123.112   10.680   43.925   6.8837   42.789   11.083   44.638   8.7831  120.779   16.982  125.445   12.957 -4.666756 21.36063 
1 1 1  -30   18   35 o  102.189   13.249   31.272   6.9520   36.080   10.985   28.059   8.9790  108.274   19.492   96.103   17.950 12.17097 26.49815 
1 1 1  -30   18   36 o  152.782   9.4329   66.932   7.6281   66.553   12.009   67.189   9.8766  151.509   14.668  154.055   11.864 -2.546021 18.86579 
1 1 1  -30   18   37 o  101.330   13.553   33.531   6.8720   25.028   11.107   38.805   8.7472   86.723   23.233  115.937   13.962 -29.21405 27.10590 
1 1 1  -30   18   38 f   62.633   13.679   11.477   6.6172  -5.9538   10.870   21.739   8.3406   42.308   19.672   82.958   19.013 -40.64957 27.35817 
1 1 1  -30   18   39 o  118.754   11.401   41.685   7.1042   45.716   11.690   39.324   8.9458  121.946   17.740  115.561   14.326 6.384880 22.80189 
1 1 1  -30   18   40 o  142.224   12.601   62.052   9.5194   61.195   12.388   63.288   14.876  142.650   16.071  141.799   19.414 0.8508453 25.20296 
1 1 1  -30   18   41 f  173.309   12.124   90.616   11.331   96.937   16.683   85.203   15.439  178.762   17.271  167.857   17.022 10.90556 24.24883 
1 1 1  -30   18   42 o   59.428   17.282   6.8342   9.2827   16.818   13.899  -1.2056   12.472   70.152   26.617   48.704   22.051 21.44794 34.56491 
1 1 1  -30   18   43 o   41.331   13.940  -8.5725   7.6296   0.4214   13.896 -12.4536   9.1286   49.996   22.882   32.666   15.927 17.33033 27.87961 
1 1 1  -30   18   44 o   53.930   17.135   5.9892   10.314   1.8092   17.653   8.1554   12.708   53.312   24.882   54.549   23.567 -1.237442 34.27058 
1 1 1  -30   18   45 o   56.355   18.028   2.2028   10.730   18.025   19.610  -4.5586   12.819   67.858   29.296   44.852   21.020 23.00666 36.05664 
1 1 1  -30   18   46 o   64.022   17.206   12.253   9.2296  -1.2553   12.117   30.923   14.245   44.958   20.858   83.086   27.370 -38.12713 34.41169 
1 1 1  -30   19    1 o  109.270   11.183   33.245   6.5752   37.787   9.6840   29.360   8.9560  116.250   15.416  102.289   16.203 13.96089 22.36503 
1 1 1  -30   19    2 o  111.862   10.847   35.235   6.4565   33.240   9.8579   36.734   8.5441  108.701   16.783  115.023   13.747 -6.321548 21.69397 
1 1 1  -30   19    3 o  118.265   10.981   40.905   6.5564   30.308   9.6855   49.868   8.9077  102.141   18.216  134.389   12.266 -32.24860 21.96119 
1 1 1  -30   19    4 o  135.091   14.080   50.734   10.278   50.734   10.278   0.0000   0.0000  135.091   14.080  ?   ?       ?      ? 
1 1 1  -30   19    5 o   67.519   15.098   13.031   6.1643   14.559   9.0762   11.723   8.3985   70.615   21.693   64.422   21.006 6.192398 30.19654 
1 1 1  -30   19    6 o  138.879   13.677   53.542   10.264   53.542   10.264   0.0000   0.0000  138.879   13.677  ?   ?       ?      ? 
1 1 1  -30   19    7 o  143.001   9.0873   56.380   6.9899   58.785   10.479   54.452   9.3825  145.612   13.317  140.389   12.368 5.222336 18.17462 
1 1 1  -30   19    8 o  173.200   8.1054   82.476   7.4879   83.617   11.585   81.658   9.8133  173.967   12.324  172.432   10.532 1.534912 16.21080 
1 1 1  -30   19    9 o  153.033   8.8354   64.097   7.2592   70.609   11.060   59.170   9.6217  159.699   12.817  146.367   12.165 13.33263 17.67084 
1 1 1  -30   19   10 o   42.286   13.361  -4.6855   6.1891   1.9676   9.9749  -8.8502   7.8920   50.671   21.349   33.901   16.072 16.77077 26.72236 
1 1 1  -30   19   11 o   58.630   15.193   8.2332   6.2695   10.610   9.5499   6.4326   8.3115   63.193   22.369   54.066   20.567 9.126507 30.38664 
1 1 1  -30   19   12 o   37.706   12.436  -7.0487   6.1152  -8.7156   9.6973  -5.9483   7.8793   39.008   18.282   36.404   16.865 2.604931 24.87269 
1 1 1  -30   19   13 o   79.627   14.913   18.843   6.4759   20.681   9.8561   17.446   8.5905   82.827   21.745   76.426   20.415 6.400543 29.82596 
1 1 1  -30   19   14 o   77.468   18.992   2.8450   7.8458   43.378   21.815  -3.1769   8.4084  114.281   33.293   40.656   18.284 73.62463 37.98348 
1 1 1  -30   19   15 o   54.091   17.626  -8.2403   11.741 -21.1757   20.795  -2.1872   14.225   53.772   25.660   54.410   24.171 -0.6380920 35.25214 
1 1 1  -30   19   16 o   55.001   17.463  -2.9025   10.493 -11.1441   18.623   0.9306   12.701   55.515   25.791   54.487   23.550 1.027588 34.92521 
1 1 1  -30   19   17 o   43.838   14.397  -7.4228   7.9207  -5.6856   9.8539 -10.5946   13.315   41.801   19.182   45.875   21.475 -4.074379 28.79476 
1 1 1  -30   19   18 o  154.561   8.3837   66.700   6.9467   61.024   10.182   71.643   9.5018  148.065   12.726  161.056   10.918 -12.99078 16.76739 
1 1 1  -30   19   19 o   82.133   14.322   19.814   6.3156   25.373   9.7151   15.745   8.3114   91.886   20.124   72.380   20.383 19.50623 28.64320 
1 1 1  -30   19   20 o  146.236   9.0317   59.616   7.0556   59.774   10.819   59.500   9.3073  146.058   13.708  146.414   11.764 -0.3560944 18.06346 
1 1 1  -30   19   21 o   54.551   15.061   5.5344   6.3435   9.9301   10.210   2.7708   8.0956   61.927   22.955   47.175   19.505 14.75186 30.12300 
1 1 1  -30   19   22 o   63.402   15.470   11.482   6.5475   8.0235   10.159   13.940   8.5632   58.674   22.634   68.130   21.095 -9.456429 30.93989 
1 1 1  -30   19   23 f   66.872   15.438   13.412   6.4447   10.783   10.290   15.109   8.2671   63.191   23.108   70.553   20.479 -7.361652 30.87676 
1 1 1  -30   19   24 o   94.315   13.367   27.116   6.5812   21.788   9.9701   31.231   8.7610   83.896   21.795  104.735   15.480 -20.83885 26.73332 
1 1 1  -30   19   25 o   52.945   14.657   4.8160   6.6113  -3.1971   10.198   10.624   8.6828   44.565   20.080   61.326   21.358 -16.76137 29.31492 
1 1 1  -30   19   26 o  186.362   7.9533   97.312   7.8474   93.465   12.246   99.993   10.222  182.614   12.410  190.110   9.9506 -7.495575 15.90662 
1 1 1  -30   19   27 o   65.669   15.369   11.943   6.3408   17.973   10.173   8.1108   8.1087   75.660   22.911   55.678   20.491 19.98184 30.73758 
1 1 1  -30   19   28 f   76.646   15.161   18.760   6.5534   15.495   10.445   20.880   8.4160   70.780   23.442   82.513   19.231 -11.73373 30.32115 
1 1 1  -30   19   29 o   72.877   17.638   16.917   7.5498   8.6689   19.213   18.423   8.2102   68.625   29.300   77.129   19.645 -8.504608 35.27609 
1 1 1  -30   19   30 o  108.773   16.866   41.727   8.1526   30.495   18.154   44.565   9.1244   92.394   30.916  125.152   13.492 -32.75798 33.73155 
1 1 1  -30   19   31 o   71.456   15.623   9.8487   8.1965  -5.4059   10.570   32.860   12.982   42.753   19.710  100.158   24.246 -57.40554 31.24647 
1 1 1  -30   19   32 o   57.631   16.580   6.8761   8.1557   9.2101   10.611   3.5068   12.749   59.819   23.116   55.443   23.774 4.375740 33.15969 
1 1 1  -30   19   33 o   71.271   15.449   16.410   6.8195   10.380   10.469   20.853   8.9878   61.282   23.137   81.259   20.477 -19.97749 30.89724 
1 1 1  -30   19   34 o   53.793   15.393   5.5439   6.8653   9.6625   10.864   2.8055   8.8583   60.060   23.339   47.527   20.077 12.53344 30.78640 
1 1 1  -30   19   35 o   46.756   14.286   0.3755   6.5692   5.9186   10.397  -3.3072   8.4749   54.078   22.204   39.434   17.980 14.64431 28.57108 
1 1 1  -30   19   36 o   58.403   13.413  -0.5328   6.9175   25.062   10.588 -19.5952   9.1373   87.032   22.386   29.774   14.783 57.25782 26.82697 
1 1 1  -30   19   37 o  112.784   12.945   40.789   7.3710   32.780   11.258   46.798   9.7518   99.395   21.579  126.173   14.303 -26.77785 25.88902 
1 1 1  -30   19   38 o   71.785   16.579   17.952   7.4306   16.187   11.317   19.290   9.8518   68.616   24.344   74.954   22.513 -6.337479 33.15816 
1 1 1  -30   19   39 o   70.484   18.481   16.332   9.5375   22.815   14.024   10.752   13.010   78.973   27.163   61.994   25.068 16.97935 36.96254 
1 1 1  -30   19   40 o   75.176   19.198   20.139   10.016   21.903   14.259   18.421   14.071   77.667   27.350   72.685   26.948 4.982552 38.39532 
1 1 1  -30   19   41 o   59.739   17.581   8.2812   9.9385   17.651   14.000  -1.2363   14.110   69.399   26.623   50.079   22.971 19.32053 35.16278 
1 1 1  -30   19   42 o   42.106   13.661  -1.0010   6.9655  -2.7445   11.218   0.0929   8.8859   42.756   19.915   41.455   18.705 1.301670 27.32164 
1 1 1  -30   19   43 o   42.504   14.523 -11.7461   9.9956 -23.2883   17.517  -6.1734   12.172   42.342   20.924   42.667   20.147 -0.3246269 29.04682 
1 1 1  -30   19   44 o   58.213   18.432   7.2325   11.250   18.437   19.461   1.6092   13.787   66.461   28.937   49.965   22.840 16.49518 36.86498 
1 1 1  -30   19   45 o   46.366   14.635   2.5651   7.6703  -2.8170   11.554   6.8055   10.256   42.599   19.962   50.133   21.406 -7.533989 29.26901 
1 1 1  -30   20    1 o   59.727   15.002   9.4629   6.0787   9.8184   8.6962   9.1232   8.5002   60.493   21.353   58.961   21.079 1.531639 30.00412 
1 1 1  -30   20    2 o  211.416   9.6104  122.742   10.979   0.0000   0.0000  122.742   10.979  ?   ?   211.416   9.6104      ?      ? 
1 1 1  -30   20    3 o   67.781   15.329   13.320   6.5331   9.0169   9.5200   17.151   8.9818   60.040   22.184   75.522   21.162 -15.48204 30.65831 
1 1 1  -30   20    4 o   49.800   14.075   1.5496   6.2136   9.9329   9.2152  -5.4392   8.4139   61.293   21.944   38.307   17.633 22.98626 28.15017 
1 1 1  -30   20    5 o   76.625   15.202   17.768   6.5539   16.463   9.7587   18.840   8.8457   74.105   22.440   79.146   20.514 -5.040382 30.40379 
1 1 1  -30   20    6 o  209.975   9.5873  121.072   10.878   0.0000   0.0000  121.072   10.878  ?   ?   209.975   9.5873      ?      ? 
1 1 1  -30   20    7 o   51.283   13.846   1.8101   6.4648 -11.0784   9.6072   12.476   8.7396   36.843   17.543   65.723   21.428 -28.88030 27.69287 
1 1 1  -30   20    8 o   86.485   14.532   22.965   6.7427   18.078   10.049   26.968   9.0940   77.253   22.622   95.718   18.248 -18.46515 29.06487 
1 1 1  -30   20    9 o  122.658   10.547   40.906   6.8224   56.043   10.668   30.432   8.8744  141.532   13.949  103.784   15.824 37.74827 21.09430 
1 1 1  -30   20   10 o   50.092   14.433   3.5818   6.2262   0.6339   9.4562   5.8378   8.2723   47.529   20.431   52.656   20.393 -5.126907 28.86656 
1 1 1  -30   20   11 o   43.180   13.497  -1.5693   6.1695  -3.7661   9.6308  -0.0404   8.0344   43.063   19.448   43.297   18.722 -0.2345276 26.99496 
1 1 1  -30   20   12 o   69.584   15.642   13.264   6.6973   20.090   10.521   8.6133   8.6841   81.028   22.973   58.140   21.234 22.88783 31.28341 
1 1 1  -30   20   13 o   69.336   19.455   9.8040   11.715 -10.7658   21.681   18.286   13.923   60.338   27.961   78.335   27.059 -17.99653 38.90983 
1 1 1  -30   20   14 o   98.084   20.384   32.810   12.202   17.937   20.670   40.766   15.117   81.830   32.084  114.339   25.151 -32.50853 40.76736 
1 1 1  -30   20   15 o   52.910   17.621 -11.3516   11.422 -10.3131   21.873 -11.7410   13.393   60.683   28.108   45.137   21.258 15.54575 35.24160 
1 1 1  -30   20   16 o   68.815   14.469   11.512   6.5957   25.130   10.149   1.5537   8.6785   90.842   21.081   46.788   19.824 44.05387 28.93789 
1 1 1  -30   20   17 f   74.670   15.678   17.054   6.7296   16.505   10.568   17.429   8.7279   73.697   23.521   75.643   20.735 -1.945572 31.35568 
1 1 1  -30   20   18 o   43.721   12.859  -4.2878   6.2126 -20.1132   9.3168   8.3829   8.3365   30.547   15.125   56.895   20.801 -26.34722 25.71875 
1 1 1  -30   20   19 o  148.430   9.2138   62.210   7.2250   59.441   11.322   64.112   9.3837  145.005   14.450  151.856   11.436 -6.850510 18.42751 
1 1 1  -30   20   20 o   41.096   13.091  -3.4522   6.2411  -9.0230   9.9025   0.2189   8.0386   38.841   18.289   43.350   18.736 -4.508911 26.18236 
1 1 1  -30   20   21 o   54.719   13.271   3.4162   6.3244 -12.7907   9.3494   17.089   8.5873   34.720   16.734   74.719   20.603 -39.99916 26.54250 
1 1 1  -30   20   22 o   60.217   15.194   10.007   6.2688   8.3699   9.4173   11.310   8.4004   58.018   21.935   62.416   21.029 -4.397572 30.38705 
1 1 1  -30   20   23 o   80.650   14.402   20.614   6.6046   12.037   9.7284   27.946   8.9954   64.528   22.600   96.773   17.860 -32.24522 28.80495 
1 1 1  -30   20   24 o   99.529   13.751   29.716   7.0483   32.629   10.998   27.685   9.1815  103.154   20.453   95.904   18.386 7.249702 27.50256 
1 1 1  -30   20   25 o   47.792   19.913   2.9318   8.5320   0.0000   0.0000   2.9318   8.5320  ?   ?    47.792   19.913      ?      ? 
1 1 1  -30   20   26 o   51.103   14.863   4.3170   6.5744   2.6817   10.269   5.4528   8.5580   50.682   21.524   51.524   20.503 -0.8414879 29.72670 
1 1 1  -30   20   27 o  131.739   10.121   49.253   7.1611   53.238   10.873   46.200   9.5166  136.166   14.777  127.312   13.833 8.854614 20.24176 
1 1 1  -30   20   28 o   49.221   14.632   1.2810   6.6448   8.3380   10.593  -3.2978   8.5324   58.490   22.957   39.952   18.148 18.53745 29.26381 
1 1 1  -30   20   29 o   63.862   15.091   12.193   6.6733   4.1682   10.358   17.887   8.7253   52.419   21.900   75.306   20.769 -22.88699 30.18180 
1 1 1  -30   20   30 o  191.855   12.009  100.042   9.6595  121.667   23.135   95.477   10.630  198.838   21.532  184.872   10.641 13.96606 24.01780 
1 1 1  -30   20   31 o  119.001   16.476   62.174   8.9194   18.104   19.748   73.468   9.9973   76.468   30.897  161.534   11.453 -85.06663 32.95156 
1 1 1  -30   20   32 o   73.963   17.687   17.742   8.3858   14.411   11.113   22.146   12.779   67.565   24.107   80.361   25.888 -12.79582 35.37421 
1 1 1  -30   20   33 o   62.647   16.936   10.511   8.0394   6.4145   10.641   15.957   12.271   55.070   22.520   70.224   25.302 -15.15463 33.87289 
1 1 1  -30   20   34 o   37.249   12.515  -9.1069   6.8482 -14.1496   10.862  -5.7806   8.8223   36.683   17.767   37.815   17.629 -1.131584 25.02931 
1 1 1  -30   20   35 o   53.179   15.460   5.7233   7.0941   9.9309   11.031   2.7555   9.2641   59.089   23.352   47.270   20.268 11.81948 30.92086 
1 1 1  -30   20   36 o   37.908   12.637  -9.3060   7.0998 -20.8046   11.144  -1.4506   9.2111   33.515   16.585   42.302   19.070 -8.786697 25.27301 
1 1 1  -30   20   37 o  111.276   18.166   43.773   10.712   41.014   15.447   46.329   14.869  106.451   26.856  116.101   24.471 -9.649460 36.33266 
1 1 1  -30   20   38 o  120.661   16.974   49.711   10.809   34.527   15.145   65.473   15.431   96.730   27.612  144.592   19.749 -47.86272 33.94768 
1 1 1  -30   20   39 o   99.818   18.470   36.557   10.059   40.968   14.973   32.928   13.579  105.255   26.378   94.381   25.860 10.87395 36.93974 
1 1 1  -30   20   40 o   40.118   13.335  -6.3956   7.3573   1.5974   11.217 -12.4308   9.7468   46.597   21.021   33.639   16.414 12.95777 26.67052 
1 1 1  -30   20   41 o   96.108   15.144   32.156   7.5340   34.496   11.994   30.631   9.6824   97.010   23.195   95.205   19.477 1.804695 30.28790 
1 1 1  -30   20   42 o   41.201   14.492 -25.7305   11.254  -9.3333   18.408 -35.5180   14.222   49.091   23.615   33.312   16.805 15.77888 28.98436 
1 1 1  -30   20   43 o   43.475   15.079 -13.3970   11.454 -14.6036   19.590 -12.7703   14.118   46.306   22.735   40.644   19.815 5.661842 30.15794 
1 1 1  -30   21    1 o  117.124   10.842   38.944   6.8349   36.677   9.9036   41.007   9.4448  113.573   16.137  120.675   14.484 -7.103004 21.68399 
1 1 1  -30   21    2 f   58.569   14.529   8.4667   6.0081   3.1890   8.3687   14.080   8.6308   48.454   19.911   68.684   21.163 -20.23072 29.05732 
1 1 1  -30   21    3 o   60.506   14.158   8.7755   6.3975  -2.5548   9.5622   17.957   8.6078   44.012   19.667   77.000   20.372 -32.98766 28.31628 
1 1 1  -30   21    4 o   42.512   13.415  -2.3298   6.2564  -3.1088   9.2733  -1.6791   8.4760   42.727   19.210   42.296   18.730 0.4312859 26.82953 
1 1 1  -30   21    5 o   67.327   15.341   12.350   6.5678   19.368   9.9830   6.9935   8.7209   79.478   22.324   55.175   21.048 24.30249 30.68220 
1 1 1  -30   21    6 o   92.835   13.557   25.971   6.6397   21.189   9.8979   29.883   8.9528   83.158   21.771  102.512   16.162 -19.35408 27.11458 
1 1 1  -30   21    7 o  164.165   8.5866   73.999   7.5648   86.491   11.444   64.304   10.081  176.360   12.009  151.970   12.277 24.39030 17.17318 
1 1 1  -30   21    8 o  118.472   14.685   39.601   9.4010   0.0000   0.0000   39.601   9.4010  ?   ?   118.472   14.685      ?      ? 
1 1 1  -30   21    9 o   86.394   14.312   21.721   6.5474   29.624   10.330   16.413   8.4651   99.231   19.956   73.556   20.520 25.67515 28.62389 
1 1 1  -30   21   10 f   65.842   15.605   12.208   6.6026   16.190   9.8607   8.9726   8.8896   72.971   22.644   58.713   21.478 14.25747 31.20936 
1 1 1  -30   21   11 o   80.174   19.426   19.160   8.4447   15.761   22.638   19.710   9.1016   80.081   32.809   80.267   20.811 -0.1861801 38.85238 
1 1 1  -30   21   12 o   66.747   19.938   7.1736   11.887   4.5811   20.818   8.4279   14.480   68.717   29.924   64.778   26.355 3.938354 39.87513 
1 1 1  -30   21   13 o   52.495   17.452 -11.7039   11.406  -5.7230   20.690 -14.3153   13.671   61.156   27.965   43.834   20.887 17.32160 34.90389 
1 1 1  -30   21   14 o   78.326   15.751   18.985   6.9801   18.939   10.082   19.027   9.6731   78.175   22.594   78.477   21.951 -0.3022537 31.50111 
1 1 1  -30   21   15 o  108.510   12.075   34.698   6.7790   31.220   10.229   37.422   9.0522  102.027   19.260  114.994   14.568 -12.96708 24.14912 
1 1 1  -30   21   16 o  135.680   10.323   50.418   7.4292   66.098   11.688   39.790   9.6232  152.995   14.138  118.366   15.045 34.62836 20.64577 
1 1 1  -30   21   17 o   88.235   14.762   23.485   6.8497   26.972   10.720   21.079   8.9045   93.410   21.659   83.061   20.064 10.34899 29.52478 
1 1 1  -30   21   18 o  138.857   10.006   55.172   7.3772   50.541   11.218   58.701   9.7924  132.982   15.612  144.733   12.521 -11.75093 20.01243 
1 1 1  -30   21   19 o  119.987   11.881   44.078   7.0445   31.276   10.664   53.991   9.3834  101.257   20.197  138.717   12.518 -37.45944 23.76223 
1 1 1  -30   21   20 o   69.963   15.254   12.916   6.6613   24.269   10.749   5.8387   8.4875   87.667   22.559   52.258   20.537 35.40891 30.50747 
1 1 1  -30   21   21 o   85.168   15.348   22.208   7.1302   29.049   10.858   17.021   9.4546   96.558   21.374   73.778   22.031 22.78050 30.69571 
1 1 1  -30   21   22 o   44.096   13.220  -4.9040   6.3248   8.6399   9.3025 -16.5473   8.6252   57.841   21.817   30.351   14.938 27.48987 26.44078 
1 1 1  -30   21   23 o  131.998   10.104   50.605   7.0623   42.948   10.486   56.961   9.5539  121.837   15.928  142.160   12.437 -20.32358 20.20815 
1 1 1  -30   21   24 o   38.178   12.723  -8.3431   6.7922 -11.6377   10.492  -5.9663   8.9116   37.945   18.141   38.410   17.843 -0.4652901 25.44543 
1 1 1  -30   21   25 o   41.498   13.383  -6.0405   6.6369   1.7548   10.448 -11.3139   8.5934   49.646   21.408   33.351   16.066 16.29507 26.76649 
1 1 1  -30   21   26 o   66.392   16.065   13.055   6.8641   16.582   10.765   10.638   8.9104   72.173   23.794   60.610   21.590 11.56323 32.12931 
1 1 1  -30   21   27 o   92.543   13.794   28.232   6.8944   14.656   10.370   38.985   9.2294   68.647   23.364  116.440   14.668 -47.79295 27.58703 
1 1 1  -30   21   28 o   70.401   16.043   15.902   7.4657   7.7110   11.616   21.666   9.7449   58.602   23.690   82.201   21.642 -23.59954 32.08698 
1 1 1  -30   21   29 o   99.059   14.222   33.528   7.4624   16.908   11.375   46.085   9.8874   71.941   24.470  126.177   14.501 -54.23617 28.44439 
1 1 1  -30   21   30 o   53.509   15.443   5.8478   7.1149   3.3507   10.678   7.8414   9.5414   51.268   21.865   55.751   21.815 -4.482780 30.88640 
1 1 1  -30   21   31 o   85.541   18.966   22.400   8.1442   32.905   19.099   20.065   9.0038   92.265   31.702   78.818   20.827 13.44714 37.93127 
1 1 1  -30   21   32 o   64.661   18.641   10.899   8.6110   14.520   20.029   10.078   9.5374   70.598   30.023   58.723   22.103 11.87449 37.28176 
1 1 1  -30   21   33 o   47.531   15.061  -4.1957   8.1493 -12.7427   10.527   8.5878   12.874   36.328   17.570   58.734   24.466 -22.40596 30.12123 
1 1 1  -30   21   34 o   46.277   20.911  -1.2504   11.151  -1.2504   11.151   0.0000   0.0000   46.277   20.911  ?   ?       ?      ? 
1 1 1  -30   21   35 o   59.536   17.692   6.0395   10.201   15.890   14.423  -3.8221   14.431   69.251   26.897   49.821   22.990 19.43040 35.38345 
1 1 1  -30   21   36 o   87.745   18.730   28.340   10.370   16.806   15.121   38.581   14.249   70.677   27.516  104.813   25.419 -34.13618 37.45997 
1 1 1  -30   21   37 o   68.268   19.115   16.380   10.492   17.939   14.787   14.800   14.890   70.167   27.240   66.369   26.825 3.797981 38.23057 
1 1 1  -30   21   38 o   55.426   15.963   8.0639   7.5103   17.214   12.198   2.4774   9.5310   65.677   24.932   45.175   19.940 20.50236 31.92515 
1 1 1  -30   21   39 o   75.964   15.070   21.755   7.4546   8.6390   11.260   31.988   9.9463   54.845   22.866   97.083   19.634 -42.23819 30.13945 
1 1 1  -30   21   40 o  127.255   17.568   64.201   9.7318   50.541   20.124   68.371   11.118  103.439   32.389  151.071   13.620 -47.63173 35.13623 
1 1 1  -30   21   41 o   63.499   19.434   14.105   11.972   30.000   19.782   4.9189   15.038   74.383   30.594   52.616   23.974 21.76743 38.86896 
1 1 1  -30   22    1 o   79.983   14.900   19.511   6.5623   23.235   9.6321   16.286   8.9647   87.034   20.770   72.931   21.370 14.10301 29.80041 
1 1 1  -30   22    2 o   85.544   14.434   22.111   6.7027   29.825   9.8713   15.511   9.1300   99.761   19.006   71.327   21.729 28.43475 28.86810 
1 1 1  -30   22    3 o   63.752   15.463   10.638   6.7180   17.455   9.9944   5.0183   9.0736   75.213   22.695   52.292   21.008 22.92139 30.92574 
1 1 1  -30   22    4 o   86.345   14.067   21.215   6.9185   35.617   10.622   10.602   9.1180  110.960   17.715   61.730   21.856 49.23009 28.13409 
1 1 1  -30   22    5 o   45.684   14.079  -0.1911   6.5166   0.5938   9.5597  -0.8724   8.9065   47.292   20.435   44.076   19.373 3.215435 28.15857 
1 1 1  -30   22    6 o   89.842   13.791   25.240   6.6744   16.070   9.9530   32.734   8.9972   72.496   22.791  107.187   15.534 -34.69119 27.58131 
1 1 1  -30   22    7 o  112.374   11.123   35.955   6.7466   37.991   9.8099   34.127   9.2934  115.385   15.734  109.364   15.726 6.021843 22.24516 
1 1 1  -30   22    8 o   81.525   14.648   20.316   6.5950   26.185   9.5089   14.876   9.1546   93.049   19.534   70.002   21.834 23.04714 29.29638 
1 1 1  -30   22    9 o   51.949   17.025  -3.4362   8.5059  -6.9234   21.326  -2.7765   9.2755   61.071   28.096   42.828   19.237 18.24347 34.05095 
1 1 1  -30   22   10 o   61.754   18.287  -1.5407   12.642 -43.7838   22.795   17.223   15.192   47.335   23.477   76.173   28.045 -28.83840 36.57433 
1 1 1  -30   22   11 o   97.096   22.176   33.173   13.371   25.023   23.694   36.982   16.196   88.504   34.447  105.688   27.937 -17.18439 44.35160 
1 1 1  -30   22   12 o   47.723   15.279  -2.8812   7.9446  -1.9158   9.5617  -5.0338   14.277   44.315   19.744   51.132   23.322 -6.816692 30.55731 
1 1 1  -30   22   13 o  146.345   9.7159   60.257   7.6647   65.267   11.314   56.009   10.420  151.919   13.783  140.771   13.698 11.14821 19.43180 
1 1 1  -30   22   14 o  111.936   11.548   36.198   6.9607   34.841   10.139   37.409   9.5736  109.600   17.119  114.273   15.504 -4.673042 23.09614 
1 1 1  -30   22   15 f   64.715   16.072   11.805   6.9543   15.285   10.585   9.1631   9.2242   70.599   23.607   58.831   21.817 11.76803 32.14442 
1 1 1  -30   22   16 o   60.506   13.801   7.5850   6.8009  -9.6404   10.318   20.816   9.0432   39.121   18.496   81.890   20.487 -42.76908 27.60136 
1 1 1  -30   22   17 o  140.445   9.9854   55.677   7.5231   59.913   11.490   52.498   9.9532  144.793   14.685  136.097   13.534 8.695969 19.97076 
1 1 1  -30   22   18 o  123.210   11.235   43.415   7.4109   47.085   11.436   40.758   9.7302  127.273   16.629  119.148   15.113 8.125671 22.47043 
1 1 1  -30   22   19 o   49.063   14.644   2.6156   6.6017   3.9683   10.052   1.5898   8.7541   51.855   21.611   46.271   19.767 5.584202 29.28779 
1 1 1  -30   22   20 o   66.312   15.885   12.732   6.8893   18.295   10.436   8.4338   9.1722   75.546   23.270   57.078   21.631 18.46830 31.77083 
1 1 1  -30   22   21 o   38.638   12.670  -5.7787   6.3296  -7.7952   9.3063  -4.0430   8.6341   37.818   17.783   39.458   18.051 -1.640179 25.33936 
1 1 1  -30   22   22 o   57.250   15.538   8.2842   6.8361   5.2253   10.462   10.564   9.0307   53.946   22.226   60.553   21.718 -6.606262 31.07514 
1 1 1  -30   22   23 o   91.980   14.977   26.843   7.2723   25.188   10.853   28.192   9.7971   88.458   22.617   95.503   19.640 -7.044670 29.95438 
1 1 1  -30   22   24 o   63.836   15.262   11.424   7.0392   1.7630   10.444   19.467   9.5288   49.604   21.397   78.067   21.769 -28.46378 30.52407 
1 1 1  -30   22   25 o   75.847   15.867   18.483   6.9233   19.921   10.432   17.351   9.2557   78.118   23.099   73.577   21.759 4.541183 31.73307 
1 1 1  -30   22   26 o   84.338   15.312   23.150   7.0144   21.784   10.401   24.290   9.5001   81.343   22.765   87.333   20.485 -5.990135 30.62447 
1 1 1  -30   22   27 o   65.705   14.743   13.148   7.0538  -0.5379   11.134   22.324   9.1167   47.852   21.314   83.558   20.375 -35.70605 29.48572 
1 1 1  -30   22   28 o   57.258   15.689   7.7359   7.4762  -0.5769   11.480   13.858   9.8519   48.400   21.594   66.115   22.766 -17.71452 31.37803 
1 1 1  -30   22   29 o   77.680   14.841   18.176   7.1012   32.952   10.834   7.0490   9.4023  101.398   20.479   53.962   21.485 47.43546 29.68182 
1 1 1  -30   22   30 o   54.830   15.204   6.4210   7.3526  -3.9139   11.166   14.332   9.7695   43.981   20.270   65.679   22.667 -21.69775 30.40840 
1 1 1  -30   22   31 o   52.875   15.411   6.2837   7.0653   6.1980   10.848   6.3469   9.3110   53.716   22.424   52.033   21.148 1.682835 30.82283 
1 1 1  -30   22   32 o   60.132   19.129   4.5396   12.315  -1.6745   23.718   6.8333   14.410   61.526   28.757   58.737   25.233 2.789379 38.25855 
1 1 1  -30   22   33 o   50.939   23.252  -2.0225   14.225   0.0000   0.0000  -2.0225   14.225  ?   ?    50.939   23.252      ?      ? 
1 1 1  -30   22   34 o   67.536   26.567   14.784   14.215   14.784   14.215   0.0000   0.0000   67.536   26.567  ?   ?       ?      ? 
1 1 1  -30   22   35 o   59.467   25.484   9.5315   14.632   9.5315   14.632   0.0000   0.0000   59.467   25.484  ?   ?       ?      ? 
1 1 1  -30   22   36 o   54.456   16.040   8.5084   7.8021   13.561   11.972   4.7785   10.286   60.359   24.173   48.554   21.089 11.80520 32.07930 
1 1 1  -30   22   37 o   50.511   15.197   4.6812   7.2812   10.360   11.193   0.5151   9.5869   57.256   23.217   43.765   19.615 13.49055 30.39316 
1 1 1  -30   22   38 o   83.280   16.603   25.945   7.7830   25.481   11.682   26.316   10.437   81.344   24.534   85.215   22.378 -3.870781 33.20686 
1 1 1  -30   22   39 o   53.766   17.303   5.6290   11.299  -3.9730   19.222   10.698   13.967   50.601   24.287   56.932   24.651 -6.330822 34.60505 
1 1 1  -30   23    1 o   63.789   15.543   11.947   6.4651   11.703   8.6469   12.257   9.7356   62.947   21.335   64.631   22.610 -1.683392 31.08668 
1 1 1  -30   23    2 o  170.073   11.996   81.109   11.024   0.0000   0.0000   81.109   11.024  ?   ?   170.073   11.996      ?      ? 
1 1 1  -30   23    3 o  176.723   11.917   87.528   11.380   0.0000   0.0000   87.528   11.380  ?   ?   176.723   11.917      ?      ? 
1 1 1  -30   23    4 o   60.634   15.180   9.8736   6.6852   2.9334   10.036   15.409   8.9633   50.724   21.395   70.543   21.539 -19.81902 30.35902 
1 1 1  -30   23    5 o  131.199   13.983   48.898   9.9134   0.0000   0.0000   48.898   9.9134  ?   ?   131.199   13.983      ?      ? 
1 1 1  -30   23    6 o   96.972   13.077   28.089   6.6935   32.505   9.6232   23.950   9.3163  105.803   16.832   88.141   20.017 17.66246 26.15321 
1 1 1  -30   23    7 o   71.936   20.174   12.482   9.1606   17.822   23.669   11.542   9.9348   80.385   33.303   63.486   22.778 16.89885 40.34766 
1 1 1  -30   23    8 o   68.612   20.843   7.9735   13.241   7.9459   23.358   7.9865   16.073   72.196   31.561   65.029   27.233 7.167236 41.68615 
1 1 1  -30   23    9 o   63.491   19.613  -2.8339   13.084   18.128   20.870 -16.4077   16.794   79.009   31.819   47.974   22.939 31.03528 39.22616 
1 1 1  -30   23   10 o  134.793   14.714   56.363   9.4048   58.214   11.325   52.252   16.881  142.665   14.691  126.921   25.499 15.74390 29.42810 
1 1 1  -30   23   11 o   98.487   13.814   29.525   7.0813   33.337   10.415   26.248   9.6572  104.749   19.104   92.225   19.958 12.52340 27.62705 
1 1 1  -30   23   12 o   40.416   13.036  -5.0579   6.4985 -10.5890   9.4451  -0.0861   8.9549   36.179   17.273   44.652   19.530 -8.473537 26.07250 
1 1 1  -30   23   13 o   91.347   14.597   25.849   7.0747   32.081   10.393   20.469   9.6577  102.342   19.505   80.353   21.723 21.98869 29.19482 
1 1 1  -30   23   14 o   89.085   14.722   24.798   6.9510   26.822   10.204   23.044   9.4948   92.489   20.908   85.680   20.732 6.808769 29.44416 
1 1 1  -30   23   15 o   44.659   13.973  -1.8335   6.7842   2.9059   9.8252  -6.1520   9.3789   49.934   21.122   39.384   18.299 10.55038 27.94588 
1 1 1  -30   23   16 o   72.007   15.890   16.521   7.0428   12.069   10.373   20.328   9.5925   64.158   23.242   79.856   21.675 -15.69849 31.78008 
1 1 1  -30   23   17 o   44.611   13.990  -1.2735   6.7943  -4.9996   10.276   1.6203   9.0563   42.453   19.521   46.770   20.046 -4.316509 27.98031 
1 1 1  -30   23   18 o   46.486   14.277   0.5740   6.7165  -1.7210   9.7070   2.6820   9.3030   44.334   19.813   48.637   20.562 -4.302883 28.55384 
1 1 1  -30   23   19 o   73.340   22.460   17.137   9.7379   0.0000   0.0000   17.137   9.7379  ?   ?    73.340   22.460      ?      ? 
1 1 1  -30   23   20 o   38.256   12.692  -7.4313   6.6326  -8.5670   9.7793  -6.4639   9.0257   38.336   18.089   38.177   17.809 0.1590233 25.38418 
1 1 1  -30   23   21 o   48.052   14.699   0.4654   7.0062   5.5279   10.821  -3.1881   9.1930   54.606   22.562   41.499   18.845 13.10725 29.39705 
1 1 1  -30   23   22 o   89.892   15.594   26.889   7.5782   21.601   11.578   30.853   10.024   80.216   24.477   99.568   19.328 -19.35179 31.18741 
1 1 1  -30   23   23 o  129.164   11.294   48.710   7.7714   51.418   12.157   46.839   10.106  131.388   17.123  126.941   14.733 4.447372 22.58869 
1 1 1  -30   23   24 o   58.168   15.622   8.4774   7.2634   1.1554   10.827   14.469   9.7943   49.043   21.462   67.293   22.707 -18.25026 31.24473 
1 1 1  -30   23   25 o  102.010   14.114   31.757   7.5733   45.468   11.601   21.573   9.9978  123.130   17.435   80.889   22.200 42.24119 28.22835 
1 1 1  -30   23   26 o   42.892   13.903  -5.2152   7.3029   1.6454   11.166 -10.3435   9.6539   49.612   21.751   36.172   17.322 13.43953 27.80571 
1 1 1  -30   23   27 o   52.912   14.739   0.9902   7.1136   17.426   11.147 -10.3009   9.2394   70.853   24.223   34.971   16.799 35.88169 29.47857 
1 1 1  -30   23   28 o   43.470   14.026  -2.8913   7.2175   0.3269   11.125  -5.2306   9.4846   47.600   21.246   39.339   18.319 8.261173 28.05291 
1 1 1  -30   23   29 o   70.099   18.253   15.838   8.9251   11.732   11.311   22.613   14.529   62.022   23.895   78.177   27.599 -16.15471 36.50569 
1 1 1  -30   23   30 o   86.069   19.799   27.425   10.823   35.090   15.613   20.333   15.018   96.883   28.149   75.254   27.851 21.62881 39.59849 
1 1 1  -30   23   31 o   60.776   18.008   7.1793   10.286  -0.8142   14.119   16.218   15.014   51.683   23.425   69.870   27.358 -18.18716 36.01697 
1 1 1  -30   23   32 o   42.060   14.340 -16.5655   10.074 -30.5856   14.790  -4.4302   13.760   36.532   18.246   47.588   22.129 -11.05524 28.68081 
1 1 1  -30   23   33 o   36.918   17.771  -9.6703   10.464   0.0000   0.0000  -9.6703   10.464  ?   ?    36.918   17.771      ?      ? 
1 1 1  -30   23   34 o   46.929   15.624  -1.1422   8.9973 -13.3941   21.087   1.5847   9.9483   49.035   23.973   44.823   20.042 4.212128 31.24739 
1 1 1  -30   23   35 o   58.492   17.458   9.0042   9.4308   3.8070   12.333   16.322   14.635   51.081   22.608   65.902   26.608 -14.82100 34.91621 
1 1 1  -30   23   36 o   72.761   18.517   21.400   9.0953   18.869   11.569   25.495   14.718   69.203   24.607   76.319   27.678 -7.115204 37.03471 
1 1 1  -30   23   37 o   49.193   15.185   4.3894   7.7256   10.652   11.517  -0.7331   10.417   55.684   23.163   42.703   19.642 12.98079 30.37050 
1 1 1  -30   24    1 o   55.812   15.026   6.3144   6.7378  -0.5086   9.3278   13.759   9.7432   44.802   19.754   66.823   22.647 -22.02129 30.05163 
1 1 1  -30   24    2 o   43.894   13.849  -1.7984   6.7156  -3.9515   9.4849   0.3660   9.5096   41.599   18.988   46.190   20.166 -4.590851 27.69862 
1 1 1  -30   24    3 o   59.119   15.613   9.4657   6.6847   8.7153   9.0743   10.356   9.8847   57.335   21.564   60.902   22.584 -3.567513 31.22583 
1 1 1  -30   24    4 o   82.406   15.444   21.638   7.0161   18.955   9.7544   24.513   10.099   76.951   22.218   87.861   21.457 -10.91058 30.88768 
1 1 1  -30   24    5 o   46.429   16.133 -13.4132   8.9548 -14.1937   23.221 -13.2769   9.7055   57.926   27.492   34.932   16.889 22.99335 32.26552 
1 1 1  -30   24    6 o  105.262   22.082   42.975   15.048   21.261   24.272   56.532   19.178   82.054   33.836  128.471   28.383 -46.41634 44.16382 
1 1 1  -30   24    7 o   59.052   19.093  -2.7857   13.030  -0.5002   21.976  -4.0248   16.181   63.983   29.087   54.122   24.741 9.861252 38.18636 
1 1 1  -30   24    8 o   45.237   15.289 -12.7009   8.3546 -16.2385   9.5576  -1.2410   17.202   32.820   16.065   57.653   26.019 -24.83335 30.57870 
1 1 1  -30   24    9 o   49.679   14.728   3.2258   6.6808   1.7974   9.4043   4.6810   9.4923   47.693   20.434   51.664   21.215 -3.970699 29.45550 
1 1 1  -30   24   10 o   51.812   15.039   4.6725   6.7578   3.4605   9.5541   5.8859   9.5599   50.115   20.993   53.509   21.540 -3.394249 30.07792 
1 1 1  -30   24   11 o   86.249   15.207   23.452   7.2083   30.774   10.519   16.969   9.8978   99.509   20.251   72.989   22.692 26.51999 30.41428 
1 1 1  -30   24   12 o   69.594   15.557   13.834   7.0627   23.671   10.563   5.8813   9.4978   85.772   22.508   53.416   21.482 32.35623 31.11407 
1 1 1  -30   24   13 o   89.193   15.572   25.465   7.4702   23.849   10.637   27.039   10.494   86.010   22.593   92.376   21.436 -6.365486 31.14445 
1 1 1  -30   24   14 o   92.810   14.218   27.360   7.2807   14.867   10.311   39.781   10.282   68.908   23.298  116.711   16.303 -47.80315 28.43572 
1 1 1  -30   24   15 o   56.333   15.626   7.3181   6.9661   10.449   10.348   4.7240   9.4199   61.228   23.028   51.437   21.129 9.790783 31.25280 
1 1 1  -30   24   16 o   59.729   14.790   7.6493   7.2283  -6.4641   10.695   19.515   9.8069   41.916   19.497   77.542   22.246 -35.62591 29.58094 
1 1 1  -30   24   17 o   50.594   14.323  -1.6831   7.0766   14.602   10.593 -14.8084   9.5099   67.869   23.593   33.318   16.247 34.55170 28.64636 
1 1 1  -30   24   18 o   77.720   16.259   19.656   7.3908   24.676   10.924   15.418   10.037   86.318   23.004   69.123   22.984 17.19540 32.51802 
1 1 1  -30   24   19 o   56.373   15.690   6.3531   7.3147   13.885   10.941   0.2648   9.8364   66.529   23.900   46.217   20.335 20.31218 31.38040 
1 1 1  -30   24   20 o   48.492   14.548  -2.3786   7.2088   11.099   11.135 -12.1035   9.4584   62.215   23.772   34.770   16.777 27.44455 29.09583 
1 1 1  -30   24   21 f   38.863   12.969  -8.1385   7.0982  -8.6203   10.421  -7.7215   9.6952   39.356   18.601   38.371   18.076 0.9843903 25.93772 
1 1 1  -30   24   22 o   73.136   15.922   16.702   7.5545   27.853   11.166   7.2874   10.259   91.081   22.753   55.191   22.280 35.88991 31.84500 
1 1 1  -30   24   23 o   68.481   16.853   15.528   7.7678   20.419   11.389   11.273   10.622   76.138   24.430   60.825   23.223 15.31292 33.70635 
1 1 1  -30   24   24 o   71.875   16.507   16.442   7.8027   27.497   11.908   8.1230   10.329   88.068   24.252   55.683   22.399 32.38520 33.01321 
1 1 1  -30   24   25 o   64.098   16.249   10.828   7.6600   23.017   11.979   2.3949   9.9635   80.202   24.969   47.995   20.801 32.20642 32.49767 
1 1 1  -30   24   26 o   42.590   14.305 -10.0815   8.9829  -5.8553   11.780 -15.9527   13.885   43.763   20.391   41.417   20.067 2.345581 28.60932 
1 1 1  -30   24   27 o  100.646   18.847   36.869   10.561   42.635   14.676   30.676   15.209  110.807   25.093   90.486   28.129 20.32056 37.69461 
1 1 1  -30   24   28 o   77.134   19.273   21.114   10.371   28.761   14.842   13.815   14.499   87.619   27.864   66.648   26.634 20.97108 38.54585 
1 1 1  -30   24   29 o   55.602   17.340   4.5909   10.093   5.0383   13.252   3.9730   15.575   54.830   23.876   56.373   25.151 -1.542595 34.67928 
1 1 1  -30   24   30 o   48.632   15.780   0.1614   9.0024   3.7477   15.100  -1.8164   11.213   53.221   24.162   44.043   20.303 9.177559 31.56002 
1 1 1  -30   24   31 o   63.278   16.670   15.434   7.9481   10.156   12.044   19.507   10.579   56.158   23.549   70.398   23.600 -14.24016 33.33936 
1 1 1  -30   24   32 o   47.554   14.847   1.0466   7.8571  -6.7571   11.422   8.0565   10.825   40.955   19.392   54.152   22.486 -13.19721 29.69305 
1 1 1  -30   24   33 o   87.206   16.424   28.596   7.9481   24.900   12.253   31.281   10.443   79.480   25.322   94.931   20.922 -15.45093 32.84738 
1 1 1  -30   24   34 o   51.904   16.892   3.8197   9.1322   7.0563   20.549   3.0232   10.194   57.484   26.834   46.324   20.526 11.15961 33.78455 
1 1 1  -30   24   35 o   41.338   14.637 -14.3505   9.1895  -7.0721   21.503 -15.9768   10.164   50.427   24.556   32.249   15.937 18.17853 29.27392 
1 1 1  -30   25    1 o  103.920   13.206   33.096   7.1846   39.290   10.272   27.163   10.053  115.412   16.471   92.429   20.649 22.98338 26.41289 
1 1 1  -30   25    2 o   62.145   14.921   9.2899   7.0578  -2.2247   9.9202   21.092   10.043   43.931   19.798   80.360   22.328 -36.42830 29.84148 
1 1 1  -30   25    3 o   93.600   21.319   27.849   10.161   41.622   24.335   24.941   11.182  100.368   35.688   86.831   23.333 13.53782 42.63852 
1 1 1  -30   25    4 o   65.896   21.066   3.1452   15.496   6.1014   25.587   1.4329   19.473   70.207   31.704   61.586   27.748 8.620491 42.13183 
1 1 1  -30   25    5 o   69.999   21.593   8.6192   14.503   18.856   25.317   3.6194   17.693   78.765   33.631   61.234   27.092 17.53051 43.18576 
1 1 1  -30   25    6 o   97.865   17.343   36.719   9.5998   43.465   11.142   17.286   18.912  121.042   17.035   74.687   30.215 46.35471 34.68652 
1 1 1  -30   25    7 o   66.539   14.851   11.559   7.0090   0.2034   9.5556   24.783   10.312   45.703   20.077   87.375   21.887 -41.67137 29.70107 
1 1 1  -30   25    8 o   37.251   12.476  -9.2291   6.7634  -5.4670   9.4443 -13.1895   9.6901   39.792   18.445   34.711   16.805 5.081036 24.95207 
1 1 1  -30   25    9 f   58.833   15.278   8.4491   6.9964   16.464   9.8460   0.2748   9.9435   71.168   22.702   46.497   20.452 24.67090 30.55609 
1 1 1  -30   25   10 o   68.632   15.999   15.096   6.9132   13.179   9.6809   17.091   9.8754   64.942   22.556   72.323   22.696 -7.380966 31.99827 
1 1 1  -30   25   11 o   59.298   15.437   8.7457   7.1885   0.0257   10.406   16.706   9.9423   47.072   20.804   71.523   22.812 -24.45110 30.87387 
1 1 1  -30   25   12 o  130.113   11.302   49.767   7.9323   53.934   11.441   45.910   11.008  135.594   15.615  124.632   16.345 10.96291 22.60454 
1 1 1  -30   25   13 o   51.297   15.128   3.8131   7.1225   7.9106   10.107  -0.2287   10.039   56.510   22.347   46.083   20.396 10.42737 30.25553 
1 1 1  -30   25   14 o   66.279   15.488   11.700   7.5459  -0.2745   10.534   24.318   10.814   46.959   20.834   85.599   22.922 -38.64003 30.97519 
1 1 1  -30   25   15 o   49.317   14.112  -7.6744   7.7389 -30.9099   10.948   15.532   10.941   29.548   14.886   69.087   23.980 -39.53923 28.22425 
1 1 1  -30   25   16 o   51.332   14.886   1.3854   7.6319 -11.9791   11.282   12.661   10.363   38.874   18.645   63.790   23.211 -24.91631 29.77217 
1 1 1  -30   25   17 o   57.177   15.973   7.5806   7.5261   14.096   11.144   2.1176   10.205   65.943   24.059   48.411   21.016 17.53204 31.94535 
1 1 1  -30   25   18 o  187.766   9.1908  102.708   9.2558   96.672   13.655  107.838   12.589  181.712   13.907  193.820   12.020 -12.10847 18.38157 
1 1 1  -30   25   19 o   48.024   15.089  -0.3464   7.9292   5.6365   11.807  -5.2614   10.701   54.185   23.047   41.862   19.482 12.32309 30.17853 
1 1 1  -30   25   20 o   63.132   16.975   12.663   7.9813   13.755   11.809   11.744   10.829   64.837   24.550   61.428   23.450 3.409672 33.95034 
1 1 1  -30   25   21 o   70.679   17.078   17.240   7.9356   14.300   11.634   19.799   10.852   65.930   24.491   75.428   23.810 -9.497734 34.15694 
1 1 1  -30   25   22 f   99.021   15.636   33.433   8.3990   24.281   12.444   41.090   11.383   82.464   25.412  115.578   18.226 -33.11382 31.27247 
1 1 1  -30   25   23 o  159.353   12.831   76.345   10.940   66.671   14.325   89.887   16.948  147.672   17.951  171.034   18.337 -23.36230 25.66140 
1 1 1  -30   25   24 o  101.100   19.037   37.296   10.630   34.189   15.513   40.045   14.595   95.581   28.142  106.619   25.645 -11.03844 38.07418 
1 1 1  -30   25   25 o  122.788   16.860   50.699   10.880   33.559   14.538   72.523   16.404   94.791   27.051  150.784   20.133 -55.99358 33.72074 
1 1 1  -30   25   26 o   60.707   17.838   9.0761   9.9440   0.4324   13.189   20.462   15.137   49.616   22.547   71.799   27.647 -22.18288 35.67587 
1 1 1  -30   25   27 o   57.463   16.976   6.1468   9.0870   23.536   14.901  -4.1481   11.466   72.684   27.565   42.243   19.824 30.44105 33.95289 
1 1 1  -30   25   28 o   81.467   17.493   26.500   8.3525   27.037   12.517   26.069   11.214   81.103   25.568   81.831   23.880 -0.7276764 34.98525 
1 1 1  -30   25   29 o   40.622   13.609  -9.6419   7.9247   1.2001   12.175 -17.6130   10.439   48.429   21.869   32.815   16.204 15.61340 27.21834 
1 1 1  -30   25   30 o   66.140   15.939   15.080   7.8216   3.7532   11.340   25.358   10.802   49.637   21.837   82.643   23.225 -33.00680 31.87874 
1 1 1  -30   25   31 o   68.698   17.275   19.278   8.2862   14.833   12.157   23.134   11.324   61.823   24.489   75.574   24.372 -13.75045 34.54990 
1 1 1  -30   25   32 o   47.266   15.060   1.6800   8.1925   8.8089   12.242  -4.1019   11.025   53.680   23.161   40.853   19.255 12.82727 30.11928 
1 1 1  -30   26    1 o   59.676   19.608  -2.5333   15.407 -12.6847   24.479   4.1261   19.827   57.385   27.507   61.967   27.952 -4.581909 39.21688 
1 1 1  -30   26    2 o   58.728   19.469  -3.9260   14.534  -0.8863   25.683  -5.3581   17.629   64.044   29.931   53.413   24.907 10.63033 38.93885 
1 1 1  -30   26    3 o   53.469   18.140 -14.0750   14.694  -8.2748   23.135 -17.9977   19.025   58.187   27.565   48.752   23.589 9.434902 36.28053 
1 1 1  -30   26    4 o   80.323   15.626   22.063   7.6468   31.489   10.482   11.340   11.180   98.891   20.296   61.755   23.766 37.13605 31.25296 
1 1 1  -30   26    5 o  102.274   14.375   33.692   7.7614   39.564   10.874   27.594   11.081  114.044   17.645   90.503   22.699 23.54111 28.75067 
1 1 1  -30   26    6 o  116.261   13.365   42.363   8.1403   45.733   11.258   38.670   11.785  123.103   16.924  109.420   20.689 13.68355 26.72932 
1 1 1  -30   26    7 o   67.197   16.718   14.273   7.8163   8.3528   10.732   20.963   11.407   56.911   22.853   77.483   24.406 -20.57213 33.43528 
1 1 1  -30   26    8 o   50.781   15.240   3.7404   7.2663   1.0798   9.7212   7.1091   10.938   46.215   20.278   55.347   22.756 -9.131519 30.47956 
1 1 1  -30   26    9 o   57.785   16.144   8.8637   7.4373   6.1966   9.8876   12.339   11.287   52.756   21.656   62.814   23.949 -10.05864 32.28891 
1 1 1  -30   26   10 o   55.731   15.962   7.6653   7.4429   5.8032   9.9613   10.019   11.199   52.208   21.615   59.254   23.494 -7.046032 31.92419 
1 1 1  -30   26   11 o   61.245   16.394   11.096   7.6063   6.5237   10.407   16.340   11.145   53.629   22.139   68.862   24.185 -15.23298 32.78822 
1 1 1  -30   26   12 f   55.722   15.654   7.2390   7.4759   13.846   10.438   0.2807   10.712   64.608   23.328   46.836   20.880 17.77221 31.30793 
1 1 1  -30   26   13 o   47.535   14.659  -0.5635   7.4466  -8.2443   10.164   8.3367   10.941   38.476   18.240   56.594   22.952 -18.11813 29.31705 
1 1 1  -30   26   14 o   61.131   16.105   9.5832   7.8276   0.2653   10.780   19.974   11.384   47.056   20.965   75.207   24.453 -28.15096 32.20954 
1 1 1  -30   26   15 o  108.336   14.211   37.599   8.1266   40.852   11.485   34.337   11.501  114.828   18.509  101.845   21.569 12.98251 28.42197 
1 1 1  -30   26   16 o   48.830   15.016   0.2345   7.8037   8.0276   10.980  -7.7190   11.093   56.637   22.985   41.024   19.329 15.61309 30.03168 
1 1 1  -30   26   17 o   78.883   16.606   21.071   8.2655   31.428   11.758   10.952   11.622   96.450   22.901   61.316   24.053 35.13427 33.21143 
1 1 1  -30   26   18 o   93.842   16.594   30.332   8.4404   33.565   11.514   26.575   12.409  100.888   21.760   86.796   25.060 14.09269 33.18880 
1 1 1  -30   26   19 o  115.759   14.699   35.716   10.043   4.3229   12.374   96.306   17.191   54.036   23.300  177.483   17.925 -123.4470 29.39707 
1 1 1  -30   26   20 o   84.693   17.698   25.227   10.505   43.266   14.462   5.0788   15.284  111.539   24.650   57.846   25.402 53.69254 35.39650 
1 1 1  -30   26   21 o   44.917   15.095  -9.9367   10.077  -4.4347   13.930 -15.9775   14.596   47.761   22.228   42.073   20.429 5.687923 30.18932 
1 1 1  -30   26   22 o   76.591   19.318   24.571   10.323   28.401   13.903   19.867   15.409   83.228   27.021   69.953   27.615 13.27448 38.63570 
1 1 1  -30   26   23 o   52.232   16.667   4.4891   10.028   6.9302   13.272   1.2417   15.308   53.641   23.611   50.822   23.531 2.818954 33.33448 
1 1 1  -30   26   24 o   51.960   15.928   6.4737   8.2249   6.5859   12.407   6.3857   10.986   52.680   23.016   51.240   22.023 1.440247 31.85538 
1 1 1  -30   26   25 o   63.119   16.275   11.554   8.0665   25.235   12.120   0.6760   10.808   80.318   25.134   45.919   20.682 34.39865 32.54987 
1 1 1  -30   26   26 o   84.455   17.269   26.653   8.3206   32.005   12.613   22.528   11.072   91.730   24.835   77.180   24.001 14.54996 34.53773 
1 1 1  -30   26   27 o   52.052   15.084   4.9877   7.8888  -9.4455   12.192   15.382   10.347   40.113   19.277   63.990   23.207 -23.87700 30.16897 
1 1 1  -30   26   28 o   59.594   15.918   9.5365   8.0878   25.515   12.135  -3.2321   10.848   77.740   25.245   41.449   19.397 36.29097 31.83665 
1 1 1  -30   27    1 o   48.339   16.439 -10.9544   8.9475 -14.3017   9.9182   3.6802   20.738   34.236   16.672   62.442   28.337 -28.20698 32.87751 
1 1 1  -30   27    2 o   96.788   15.084   31.805   7.9668   41.549   10.862   20.458   11.721  117.120   17.162   76.456   24.810 40.66326 30.16718 
1 1 1  -30   27    3 o   54.330   22.580   6.2065   10.930   0.0000   0.0000   6.2065   10.930  ?   ?    54.330   22.580      ?      ? 
1 1 1  -30   27    4 o   94.821   22.584   30.231   11.406   0.0000   0.0000   30.231   11.406  ?   ?    94.821   22.584      ?      ? 
1 1 1  -30   27    5 o   69.376   16.553   15.504   7.3933   11.365   9.7240   21.174   11.382   60.798   22.429   77.955   24.351 -17.15679 33.10590 
1 1 1  -30   27    6 o   80.607   16.351   22.466   7.6553   26.514   10.446   17.770   11.252   89.221   21.842   71.993   24.337 17.22849 32.70161 
1 1 1  -30   27    7 o   81.178   16.080   21.964   7.2974   18.918   9.6341   26.064   11.177   75.013   22.203   87.343   23.265 -12.32936 32.15948 
1 1 1  -30   27    8 o   68.045   15.984   15.082   7.4871   22.135   10.124   6.5652   11.124   81.019   22.382   55.070   22.824 25.94936 31.96707 
1 1 1  -30   27    9 o   71.215   24.361   17.281   11.275   0.0000   0.0000   17.281   11.275  ?   ?    71.215   24.361      ?      ? 
1 1 1  -30   27   10 o   76.678   17.090   20.400   7.9427   21.901   10.894   18.697   11.605   79.799   23.608   73.556   24.717 6.243156 34.18016 
1 1 1  -30   27   11 f   59.334   16.054   8.5295   7.7443   0.4030   10.751   17.295   11.165   47.461   21.052   71.206   24.243 -23.74508 32.10780 
1 1 1  -30   27   12 f   45.563   14.495  -2.8375   7.7887   4.1437   10.860 -10.2315   11.177   51.644   22.038   39.483   18.833 12.16058 28.98927 
1 1 1  -30   27   13 o   81.905   18.280   24.291   8.9153   24.246   11.220   24.369   14.684   83.334   23.758   80.475   27.789 2.859154 36.56059 
1 1 1  -30   27   14 o   61.514   16.026   10.212   8.6186   21.134   10.800  -8.9437   14.303   77.382   23.645   45.645   21.638 31.73661 32.05190 
1 1 1  -30   27   15 o   55.935   15.857   1.8167   9.3277   20.176   12.323 -22.8153   14.274   73.578   25.454   38.292   18.916 35.28610 31.71336 
1 1 1  -30   27   16 o   75.629   19.001   23.366   9.7674   24.122   13.049   22.403   14.729   77.616   26.210   73.641   27.517 3.975647 38.00178 
1 1 1  -30   27   17 o   86.624   18.401   32.021   10.238   42.860   13.940   19.329   15.085  105.493   24.861   67.755   27.135 37.73728 36.80206 
1 1 1  -30   27   18 o   55.576   17.042   6.2994   9.9514  -4.2432   13.589   18.491   14.613   45.066   21.282   66.086   26.622 -21.02043 34.08324 
1 1 1  -30   27   19 o   68.105   18.363   17.225   9.6953   8.2410   12.653   30.000   15.088   54.659   23.565   81.551   28.168 -26.89204 36.72544 
1 1 1  -30   27   20 o   63.268   17.070   13.814   8.4260   20.865   12.202   7.3871   11.649   72.663   25.318   53.873   22.903 18.78990 34.14041 
1 1 1  -30   27   21 f   48.632   14.889   0.6255   7.8271  -9.7479   10.948   11.472   11.195   38.185   18.328   59.079   23.469 -20.89377 29.77752 
1 1 1  -30   27   22 o   51.152   15.699   5.1452   8.0521   4.4772   11.683   5.7497   11.113   50.776   22.255   51.528   22.149 -0.7518768 31.39869 
1 1 1  -30   27   23 o   46.057   14.788   0.6849   8.0459  -1.9103   11.463   3.2051   11.296   43.911   20.342   48.204   21.470 -4.292191 29.57621 
1 1 1  -30   27   24 o   43.692   14.208  -1.3259   7.7586   3.9659   11.338  -5.9859   10.640   48.322   21.517   39.063   18.560 9.258926 28.41550 
1 1 1  -30   27   25 o   56.266   16.082   10.797   7.8464   16.563   11.124   5.0878   11.069   63.652   23.888   48.879   21.537 14.77318 32.16315 
1 1 1  -30   28    1 o   47.295   14.650   2.1959   7.5869   9.2738   10.366  -5.9687   11.134   54.280   22.216   40.309   19.104 13.97059 29.30012 
1 1 1  -30   28    2 f   95.215   15.638   32.861   8.0319   23.735   10.821   44.056   11.986   78.029   23.631  112.401   20.488 -34.37167 31.27585 
1 1 1  -30   28    3 f   41.452   13.586  -2.4425   7.1936  -1.2099   9.3796  -4.2032   11.210   41.139   18.818   41.765   19.600 -0.6263313 27.17135 
1 1 1  -30   28    4 o   38.295   12.920  -7.3269   7.2912  -8.7730   9.5348  -5.2904   11.315   35.434   17.033   41.155   19.431 -5.721161 25.83956 
1 1 1  -30   28    5 o   41.668   13.563  -6.1789   7.2355 -15.5870   9.4925   6.8669   11.178   31.395   15.494   51.941   22.267 -20.54596 27.12662 
1 1 1  -30   28    6 o   41.601   13.733  -3.3103   7.5151  -3.9336   9.8965  -2.4613   11.550   39.649   18.546   43.553   20.260 -3.904121 27.46648 
1 1 1  -30   28    7 f   97.739   16.854   36.875   8.6403   37.398   10.799   35.946   14.403  103.822   19.975   91.656   27.152 12.16549 33.70778 
1 1 1  -30   28    8 o   46.052   15.085  -2.3373   8.9533  -8.5721   12.092   5.2297   13.321   40.165   19.274   51.939   23.211 -11.77425 30.16990 
1 1 1  -30   28    9 o   46.340   14.968  -2.5979   8.3803 -10.8446   10.859   9.5450   13.177   36.677   17.764   56.003   24.096 -19.32615 29.93674 
1 1 1  -30   28   10 f   43.690   14.565  -5.6299   9.1396   0.9014   12.453 -13.2568   13.456   47.484   21.706   39.896   19.427 7.588081 29.13017 
1 1 1  -30   28   11 o   48.032   15.412  -2.0135   8.7329 -10.7004   11.308   10.827   13.747   37.826   18.274   58.237   24.822 -20.41092 30.82341 
1 1 1  -30   28   12 o  169.851   12.706   95.293   11.163  114.234   15.181   72.995   16.471  193.571   14.513  146.131   20.859 47.44049 25.41133 
1 1 1  -30   28   13 o   53.907   16.760   5.8638   9.3213   6.1892   12.014   5.3716   14.775   53.030   22.912   54.784   24.466 -1.753654 33.51912 
1 1 1  -30   28   14 o   49.655   15.586   1.8595   8.5396  -4.0991   11.919   8.1435   12.241   43.790   20.440   55.520   23.535 -11.73024 31.17178 
1 1 1  -30   28   15 o   46.650   14.661  -0.5144   7.9512   8.0161   10.795 -10.6330   11.756   54.161   22.469   39.138   18.839 15.02334 29.32126 
1 1 1  -30   28   16 o   59.824   16.281   11.345   7.7924   4.6210   10.748   18.795   11.313   49.774   21.588   69.874   24.377 -20.09979 32.56205 
1 1 1  -30   28   17 o   88.351   14.998   27.970   7.9793   13.592   10.912   44.492   11.698   60.862   23.463  115.840   18.688 -54.97778 29.99594 
1 1 1  -30   28   18 o   48.287   15.114   3.6995   7.8874   6.8473   10.954   0.3109   11.366   51.309   22.020   45.266   20.709 6.042358 30.22856 
1 1 1  -30   28   19 o   63.389   16.805   15.491   8.0827   9.1211   11.092   22.703   11.803   53.616   22.547   73.161   24.925 -19.54520 33.61024 
1 1 1  -30   28   20 o   69.597   17.223   20.124   8.1526   15.281   11.262   25.456   11.817   61.650   23.817   77.543   24.885 -15.89351 34.44586 
1 1 1  -30   29    1 o   56.712   16.621   8.6701   8.2496   2.3919   10.364   19.529   13.630   45.928   20.502   67.496   26.166 -21.56766 33.24167 
1 1 1  -30   29    2 o   68.967   17.727   19.812   8.5800   20.849   10.968   18.176   13.774   72.105   24.028   65.829   26.070 6.276100 35.45406 
1 1 1  -30   29    3 o   58.352   16.862   11.276   9.1170   18.471   11.971   1.3403   14.068   67.258   24.871   49.445   22.774 17.81359 33.72310 
1 1 1  -30   29    4 o   46.903   15.357  -2.1059   9.0284  -8.0788   11.649   6.8784   14.287   39.713   19.020   54.093   24.115 -14.37950 30.71319 
1 1 1  -30   29    5 o   38.965   13.436 -13.0681   9.0764 -12.8694   11.984 -13.3356   13.900   37.543   18.293   40.388   19.684 -2.844833 26.87136 
1 1 1  -30   29    6 o   71.569   18.284   21.321   8.8851   18.635   11.331   25.608   14.317   67.842   24.328   75.296   27.300 -7.454292 36.56703 
1 1 1  -30   29    7 o   51.961   15.856   7.0237   8.1602   8.7432   11.046   4.9576   12.108   53.596   22.518   50.325   22.331 3.271023 31.71292 
1 1 1  -30   29    8 o   92.339   16.734   33.529   8.5664   40.473   12.113   26.582   12.116  104.862   22.076   79.816   25.154 25.04681 33.46733 
1 1 1  -30   29    9 o   44.725   20.604  -0.2955   11.521   0.0000   0.0000  -0.2955   11.521  ?   ?    44.725   20.604      ?      ? 
1 1 1  -30   29   10 o   65.443   16.871   17.191   7.7483   14.322   10.444   20.703   11.556   60.739   23.066   70.148   24.628 -9.409794 33.74296 
1 1 1  -30   29   11 o  101.921   15.450   38.827   8.2228   41.223   11.072   35.880   12.279  108.514   19.603   95.329   23.886 13.18483 30.90059 
1 1 1  -30   29   12 o   44.831   14.442   1.0047   7.7446   3.0632   10.281  -1.6954   11.775   45.953   20.474   43.709   20.373 2.243820 28.88336 
1 1 1  -29    0    1 o   64.435   16.150   14.809   7.2374   14.809   7.2374   14.809   7.2374   64.435   22.840   64.435   22.840 0.000000 0.000000 
1 1 1  -29    0    2 o  368.289   5.7438  367.221   16.148  367.221   16.148  367.221   16.148  368.289   8.1229  368.289   8.1229 0.000000 0.000000 
1 1 1  -29    0    3 o  785.904   9.7143  1673.15   58.302  1673.15   58.302  1673.15   58.302  785.904   13.738  785.904   13.738 0.000000 0.000000 
1 1 1  -29    0    4 o  205.941   5.8206  115.207   9.1271  115.207   9.1271  115.207   9.1271  205.941   8.2315  205.941   8.2315 0.000000 0.000000 
1 1 1  -29    0    5 o  133.473   7.7073   49.140   7.7408   49.140   7.7408   49.140   7.7408  133.473   10.900  133.473   10.900 0.000000 0.000000 
1 1 1  -29    0    6 o  296.525   5.4924  238.181   12.427  238.181   12.427  238.181   12.427  296.525   7.7675  296.525   7.7675 0.000000 0.000000 
1 1 1  -29    0    7 o  350.802   5.6798  333.209   15.208  333.209   15.208  333.209   15.208  350.802   8.0324  350.802   8.0324 0.000000 0.000000 
1 1 1  -29    0    8 o  210.549   5.7877  120.389   9.2805  120.389   9.2805  120.389   9.2805  210.549   8.1851  210.549   8.1851 0.000000 0.000000 
1 1 1  -29    0    9 o  302.464   5.4905  247.799   12.672  247.799   12.672  247.799   12.672  302.464   7.7647  302.464   7.7647 0.000000 0.000000 
1 1 1  -29    0   10 o  324.898   7.7380  286.487   19.163  286.487   19.163  286.487   19.163  324.898   10.943  324.898   10.943 0.000000 0.000000 
1 1 1  -29    0   11 o  166.322   9.1840   76.216   11.509   76.216   11.509   76.216   11.509  166.322   12.988  166.322   12.988 0.000000 0.000000 
1 1 1  -29    0   12 o  140.674   10.675   55.405   11.142   55.405   11.142   55.405   11.142  140.674   15.097  140.674   15.097 0.000000 0.000000 
1 1 1  -29    0   13 o  578.606   10.680  908.558   47.149  908.558   47.149  908.558   47.149  578.606   15.103  578.606   15.103 0.000000 0.000000 
1 1 1  -29    0   14 o  325.796   5.6069  287.495   13.941  287.495   13.941  287.495   13.941  325.796   7.9294  325.796   7.9294 0.000000 0.000000 
1 1 1  -29    0   15 o  114.602   9.1025   36.876   7.7133   36.876   7.7133   36.876   7.7133  114.602   12.873  114.602   12.873 0.000000 0.000000 
1 1 1  -29    0   16 o   92.550   11.477   25.235   7.3710   25.235   7.3710   25.235   7.3710   92.550   16.232   92.550   16.232 0.000000 0.000000 
1 1 1  -29    0   17 o  212.021   5.9143  122.133   9.5488  122.133   9.5488  122.133   9.5488  212.021   8.3641  212.021   8.3641 0.000000 0.000000 
1 1 1  -29    0   18 o  184.529   6.3362   92.747   8.8870   92.747   8.8870   92.747   8.8870  184.529   8.9607  184.529   8.9607 0.000000 0.000000 
1 1 1  -29    0   19 o  249.482   5.6544  168.832   10.755  168.832   10.755  168.832   10.755  249.482   7.9966  249.482   7.9966 0.000000 0.000000 
1 1 1  -29    0   20 o  388.847   5.9425  409.511   17.640  409.511   17.640  409.511   17.640  388.847   8.4039  388.847   8.4039 0.000000 0.000000 
1 1 1  -29    0   21 o   26.317   12.462  -2.5933   6.9730  -2.5933   6.9730  -2.5933   6.9730   26.317   17.624   26.317   17.624 0.000000 0.000000 
1 1 1  -29    0   22 o   84.482   14.349   22.411   8.0344   22.411   8.0344   22.411   8.0344   84.482   20.293   84.482   20.293 0.000000 0.000000 
1 1 1  -29    0   23 o  669.562   8.5335  1215.66   43.632  1215.66   43.632  1215.66   43.632  669.562   12.068  669.562   12.068 0.000000 0.000000 
1 1 1  -29    0   24 f   28.690   13.413  -1.7712   7.6530  -1.7712   7.6530  -1.7712   7.6530   28.690   18.969   28.690   18.969 0.000000 0.000000 
1 1 1  -29    0   25 f  285.614   5.5425  221.186   12.077  221.186   12.077  221.186   12.077  285.614   7.8382  285.614   7.8382 0.000000 0.000000 
1 1 1  -29    0   26 o   91.300   12.842   25.150   7.9569   25.150   7.9569   25.150   7.9569   91.300   18.161   91.300   18.161 0.000000 0.000000 
1 1 1  -29    0   29 o  327.372   8.3474  291.892   20.821  291.892   20.821  291.892   20.821  327.372   11.805  327.372   11.805 0.000000 0.000000 
1 1 1  -29    0   30 f  489.070   6.7914  648.902   25.360  648.902   25.360  648.902   25.360  489.070   9.6045  489.070   9.6045 0.000000 0.000000 
1 1 1  -29    0   31 o  102.220   10.276   30.066   7.5585   30.066   7.5585   30.066   7.5585  102.220   14.533  102.220   14.533 0.000000 0.000000 
1 1 1  -29    0   32 o   60.809   16.554   13.781   7.2867   13.781   7.2867   13.781   7.2867   60.809   23.410   60.809   23.410 0.000000 0.000000 
1 1 1  -29    0   33 o   25.223   12.159  -4.1720   7.2368  -4.1720   7.2368  -4.1720   7.2368   25.223   17.195   25.223   17.195 0.000000 0.000000 
1 1 1  -29    0   34 o  118.354   8.5719   39.255   7.5665   39.255   7.5665   39.255   7.5665  118.354   12.123  118.354   12.123 0.000000 0.000000 
1 1 1  -29    0   35 o  207.796   5.9886  117.634   9.4738  117.634   9.4738  117.634   9.4738  207.796   8.4692  207.796   8.4692 0.000000 0.000000 
1 1 1  -29    0   36 o  322.030   5.6657  281.597   13.923  281.597   13.923  281.597   13.923  322.030   8.0125  322.030   8.0125 0.000000 0.000000 
1 1 1  -29    0   37 o   72.482   16.108   18.133   7.8356   18.133   7.8356   18.133   7.8356   72.482   22.781   72.482   22.781 0.000000 0.000000 
1 1 1  -29    0   38 o  100.672   9.9391   29.228   7.2198   29.228   7.2198   29.228   7.2198  100.672   14.056  100.672   14.056 0.000000 0.000000 
1 1 1  -29    0   39 o  167.250   6.7418   76.762   8.5528   76.762   8.5528   76.762   8.5528  167.250   9.5344  167.250   9.5344 0.000000 0.000000 
1 1 1  -29    0   40 f   96.553   11.131   27.485   7.5576   27.485   7.5576   27.485   7.5576   96.553   15.742   96.553   15.742 0.000000 0.000000 
1 1 1  -29    0   41 o   52.247   17.022   11.136   7.4674   11.136   7.4674   11.136   7.4674   52.247   24.073   52.247   24.073 0.000000 0.000000 
1 1 1  -29    0   42 o   35.128   14.925   3.7075   7.2251   3.7075   7.2251   3.7075   7.2251   35.128   21.108   35.128   21.108 0.000000 0.000000 
1 1 1  -29    0   43 o  144.724   7.5803   58.104   8.2779   58.104   8.2779   58.104   8.2779  144.724   10.720  144.724   10.720 0.000000 0.000000 
1 1 1  -29    0   44 f   38.560   15.601   5.5803   7.2602   5.5803   7.2602   5.5803   7.2602   38.560   22.063   38.560   22.063 0.000000 0.000000 
1 1 1  -29    0   45 o  197.301   6.3261  106.737   9.4935  106.737   9.4935  106.737   9.4935  197.301   8.9464  197.301   8.9464 0.000000 0.000000 
1 1 1  -29    0   46 o   86.971   13.025   23.588   7.6140   23.588   7.6140   23.588   7.6140   86.971   18.420   86.971   18.420 0.000000 0.000000 
1 1 1  -29    0   47 o  119.974   9.6208   41.201   8.5279   41.201   8.5279   41.201   8.5279  119.974   13.606  119.974   13.606 0.000000 0.000000 
1 1 1  -29    0   48 o  196.226   6.3924  105.824   9.5393  105.824   9.5393  105.824   9.5393  196.226   9.0401  196.226   9.0401 0.000000 0.000000 
1 1 1  -29    0   49 o   34.588   15.157   3.0301   7.9773   3.0301   7.9773   3.0301   7.9773   34.588   21.436   34.588   21.436 0.000000 0.000000 
1 1 1  -29    0   50 o   16.742   8.6998 -20.6477   7.5895 -20.6477   7.5895 -20.6477   7.5895   16.742   12.303   16.742   12.303 0.000000 0.000000 
1 1 1  -29    0   51 o   37.643   16.143   4.5866   8.6100   4.5866   8.6100   4.5866   8.6100   37.643   22.830   37.643   22.830 0.000000 0.000000 
1 1 1  -29    0   52 o   60.077   18.204   15.066   8.5457   15.066   8.5457   15.066   8.5457   60.077   25.744   60.077   25.744 0.000000 0.000000 
1 1 1  -29    0   53 o   33.621   15.022   2.3842   8.2454   2.3842   8.2454   2.3842   8.2454   33.621   21.244   33.621   21.244 0.000000 0.000000 
1 1 1  -29    0   54 f  158.016   8.7265   70.922   10.390   70.922   10.390   70.922   10.390  158.016   12.341  158.016   12.341 0.000000 0.000000 
1 1 1  -29    0   57 o   27.886   13.364  -2.2149   8.4884  -2.2149   8.4884  -2.2149   8.4884   27.886   18.900   27.886   18.900 0.000000 0.000000 
1 1 1  -29    0   58 o   75.213   17.662   21.810   9.0348   21.810   9.0348   21.810   9.0348   75.213   24.978   75.213   24.978 0.000000 0.000000 
1 1 1  -29    0   59 o   27.370   13.324  -3.9780   9.1891  -3.9780   9.1891  -3.9780   9.1891   27.370   18.843   27.370   18.843 0.000000 0.000000 
1 1 1  -29    1    1 o  414.734   5.9915  464.919   13.421  451.866   18.633  478.992   19.347  408.693   8.4373  420.776   8.5091 -12.08380 11.98297 
1 1 1  -29    1    2 o  447.974   6.2665  542.678   15.165  530.240   21.140  555.863   21.766  442.691   8.8374  453.258   8.8869 -10.56668 12.53307 
1 1 1  -29    1    3 o  433.274   6.1421  507.817   14.379  501.862   20.172  513.969   20.502  430.693   8.6675  435.855   8.7049 -5.161499 12.28413 
1 1 1  -29    1    4 o  378.635   5.7577  387.804   11.780  389.789   16.701  385.838   16.619  379.599   8.1418  377.671   8.1433 1.928741 11.51533 
1 1 1  -29    1    5 o  185.816   6.0144   93.402   6.0324   87.642   8.4596   99.361   8.6045  179.982   8.6982  191.649   8.3087 -11.66734 12.02885 
1 1 1  -29    1    6 o  351.525   5.6278  334.251   10.690  333.129   15.137  335.367   15.099  350.936   7.9823  352.115   7.9353 -1.179199 11.25551 
1 1 1  -29    1    7 o  240.973   5.5044  156.537   7.1554  167.184   10.485  147.256   9.7894  248.616   7.8046  233.330   7.7642 15.28592 11.00881 
1 1 1  -29    1    8 o  529.400   7.0504  758.558   20.168  762.197   28.681  754.998   28.366  530.653   10.002  528.147   9.9391 2.506226 14.10074 
1 1 1  -29    1    9 o  198.380   8.3893  106.466   8.9932  106.466   8.9932   0.0000   0.0000  198.380   8.3893  ?   ?       ?      ? 
1 1 1  -29    1   10 o  462.824   7.8546  576.994   18.487  571.049   22.547  589.189   32.293  459.382   9.0830  466.267   12.817 -6.884796 15.70924 
1 1 1  -29    1   11 o  347.114   7.0264  323.522   12.265  333.333   21.938  319.061   14.792  350.794   11.573  343.434   7.9709 7.360565 14.05270 
1 1 1  -29    1   12 o  506.568   9.6418  694.614   26.393   0.0000   0.0000  694.614   26.393  ?   ?   506.568   9.6418      ?      ? 
1 1 1  -29    1   13 o  154.560   8.6929   58.921   6.9077   46.180   8.3541   86.464   12.282  130.540   11.843  178.581   12.728 -48.04088 17.38575 
1 1 1  -29    1   14 o  725.974   11.130  1440.31   41.551  1459.45   51.588  1404.95   70.107  733.532   13.015  718.416   18.059 15.11578 22.26032 
1 1 1  -29    1   15 o  255.232   5.6154  176.190   7.7427  181.139   11.091  171.486   10.814  258.726   7.9328  251.737   7.9499 6.989029 11.23077 
1 1 1  -29    1   16 o  249.804   5.5824  168.774   7.5317  176.416   10.781  161.488   10.527  255.328   7.8139  244.279   7.9747 11.04887 11.16479 
1 1 1  -29    1   17 o  382.706   5.8786  396.325   12.155  389.340   17.012  403.610   17.373  379.263   8.3012  386.149   8.3260 -6.885651 11.75717 
1 1 1  -29    1   18 f  163.013   6.7681   72.014   5.9576   69.030   8.4383   74.979   8.4123  159.636   9.7822  166.390   9.3562 -6.754227 13.53626 
1 1 1  -29    1   19 o  329.304   5.6157  293.130   9.9863  282.094   13.832  305.144   14.432  322.840   7.9290  335.769   7.9545 -12.92871 11.23133 
1 1 1  -29    1   20 o  232.665   5.6795  146.405   7.1370  142.494   9.9046  150.628   10.293  229.439   7.9888  235.892   8.0750 -6.453430 11.35900 
1 1 1  -29    1   21 o  283.291   5.5948  217.244   8.5638  217.796   12.196  216.707   12.028  283.643   7.9574  282.940   7.8668 0.7035217 11.18956 
1 1 1  -29    1   22 o  571.456   7.5226  885.651   23.229  886.464   32.874  884.841   32.828  571.717   10.641  571.194   10.636 0.5226440 15.04511 
1 1 1  -29    1   23 o  294.603   5.6540  234.949   8.9989  229.007   12.586  241.162   12.871  290.793   8.0100  298.413   7.9819 -7.620239 11.30799 
1 1 1  -29    1   24 o  239.456   5.8201  155.304   7.5297  159.027   10.730  151.692   10.569  242.285   8.1958  236.626   8.2657 5.658981 11.64010 
1 1 1  -29    1   25 o  411.306   6.1464  458.536   13.661  460.646   19.362  456.444   19.276  412.248   8.6917  410.363   8.6930 1.884888 12.29278 
1 1 1  -29    1   26 o  225.180   6.0780  137.321   7.3910  130.756   10.287  144.324   10.626  219.617   8.6687  230.743   8.5220 -11.12581 12.15609 
1 1 1  -29    1   27 o  549.417   14.863  824.324   44.126   0.0000   0.0000  824.324   44.126  ?   ?   549.417   14.863      ?      ? 
1 1 1  -29    1   29 o  327.002   11.507  291.216   20.332   0.0000   0.0000  291.216   20.332  ?   ?   327.002   11.507      ?      ? 
1 1 1  -29    1   30 o  176.320   6.8779   84.496   6.5515   84.954   9.3817   84.061   9.1529  176.776   9.8213  175.865   9.6314 0.9107208 13.75582 
1 1 1  -29    1   31 o  122.236   8.5843   40.581   5.6542   36.634   7.7420   45.092   8.2771  115.872   12.365  128.600   11.911 -12.72729 17.16862 
1 1 1  -29    1   32 o  241.224   5.7276  157.922   7.4541  169.976   10.648  146.336   10.439  250.281   7.8729  232.167   8.3209 18.11415 11.45514 
1 1 1  -29    1   33 o  206.819   5.9485  116.071   6.6309  104.980   9.2106  128.003   9.5539  196.539   8.6726  217.098   8.1440 -20.55899 11.89702 
1 1 1  -29    1   34 o  284.137   5.4935  219.003   8.4286  208.467   11.698  230.375   12.154  277.031   7.8147  291.242   7.7230 -14.21094 10.98695 
1 1 1  -29    1   35 o   73.540   13.032   15.462   5.2707   10.940   7.2435   20.551   7.6836   62.516   19.409   84.563   17.395 -22.04691 26.06334 
1 1 1  -29    1   36 o   61.207   13.751   10.412   5.1306   11.459   6.9836   9.1838   7.5623   63.505   18.928   58.910   19.952 4.595203 27.50207 
1 1 1  -29    1   37 o  153.495   6.8878   64.317   5.7109   62.394   8.0818   66.234   8.0710  151.179   9.8931  155.811   9.5860 -4.632751 13.77552 
1 1 1  -29    1   38 o  155.013   7.0732   65.914   5.8889   67.872   7.9758   63.568   8.7318  157.666   9.3616  152.361   10.606 5.305573 14.14641 
1 1 1  -29    1   39 o   71.363   13.180   14.917   5.1365   14.979   7.3644   14.859   7.1678   71.490   18.810   71.236   18.467 0.2539368 26.35992 
1 1 1  -29    1   40 o  196.656   6.1706  105.622   6.5566  105.128   9.3264  106.104   9.2195  196.185   8.7976  197.128   8.6550 -0.9431458 12.34127 
1 1 1  -29    1   41 o  117.132   8.6675   37.889   5.4792   37.445   7.5447   38.385   7.9705  116.463   11.988  117.801   12.521 -1.337761 17.33503 
1 1 1  -29    1   42 o  220.745   6.0016  133.243   7.1541  134.101   10.322  132.450   9.9244  221.384   8.6286  220.106   8.3442 1.277176 12.00327 
1 1 1  -29    1   43 o  164.170   6.8299   74.151   6.0525   71.749   8.6617   76.444   8.4609  161.490   9.9259  166.849   9.3844 -5.359695 13.65984 
1 1 1  -29    1   44 o  175.307   6.6025   84.467   6.2541   83.087   8.8306   85.855   8.8586  173.851   9.4000  176.764   9.2744 -2.912552 13.20508 
1 1 1  -29    1   45 o  145.605   7.5752   58.638   5.9538   62.543   8.5882   55.024   8.2612  150.312   10.574  140.897   10.851 9.414169 15.15040 
1 1 1  -29    1   46 o  110.965   9.7792   34.821   5.8428   37.086   8.1343   32.406   8.3980  114.945   13.096  106.986   14.527 7.958633 19.55836 
1 1 1  -29    1   47 o  127.154   8.4009   45.336   5.6898   36.157   7.9020   55.218   8.1994  113.364   12.900  140.944   10.766 -27.58072 16.80187 
1 1 1  -29    1   48 o  150.243   7.8823   62.898   6.3873   68.526   9.2430   57.755   8.8366  156.765   10.911  143.722   11.378 13.04259 15.76450 
1 1 1  -29    1   49 o  156.557   7.3006   68.299   6.1715   71.606   8.7615   65.042   8.6946  160.418   10.107  152.697   10.537 7.721710 14.60118 
1 1 1  -29    1   50 o  131.979   8.5510   49.273   6.0517   42.324   8.5206   56.347   8.5967  122.172   12.907  141.785   11.221 -19.61244 17.10200 
1 1 1  -29    1   51 o   57.548   14.676   9.4006   5.8573   10.558   8.3132   8.2599   8.2541   59.739   20.893   55.356   20.616 4.383270 29.35190 
1 1 1  -29    1   52 o   86.025   13.198   23.229   5.9719   26.608   8.3640   19.715   8.5295   93.422   17.202   78.628   20.022 14.79465 26.39646 
1 1 1  -29    1   53 o  174.460   10.041   85.515   9.4659   85.515   9.4659   0.0000   0.0000  174.460   10.041  ?   ?       ?      ? 
1 1 1  -29    1   54 o   37.537   13.049 -20.2727   9.2099 -19.4234   12.681 -21.2207   13.398   37.260   18.293   37.814   18.612 -0.5540695 26.09707 
1 1 1  -29    1   57 o   52.982   14.795   8.9360   6.2777   10.182   8.8239   7.6594   8.9330   54.942   21.121   51.023   20.723 3.919209 29.58958 
1 1 1  -29    1   58 o   49.218   14.543   5.5549   6.4552   6.2923   9.3934   4.8951   8.8859   50.470   20.950   47.965   20.177 2.504425 29.08621 
1 1 1  -29    1   59 o   54.581   14.941   9.8916   6.5745   15.077   9.2702   4.6442   9.3255   62.518   22.049   46.645   20.170 15.87320 29.88225 
1 1 1  -29    2    1 o   34.840   11.081  -3.9303   4.5121  -7.8490   6.5926  -0.4770   6.1886   31.167   14.751   38.513   16.541 -7.345844 22.16244 
1 1 1  -29    2    2 o  168.114   6.3718   76.473   5.7882   76.029   8.1824   76.917   8.1893  167.626   9.0334  168.603   8.9886 -0.9769592 12.74350 
1 1 1  -29    2    3 o  527.776   7.0172  753.218   20.001  733.646   27.716  774.487   28.893  520.636   9.8515  534.917   9.9957 -14.28137 14.03444 
1 1 1  -29    2    4 o  387.934   5.8371  406.767   12.227  415.532   17.701  398.770   16.909  391.922   8.3582  383.947   8.1502 7.974213 11.67415 
1 1 1  -29    2    5 o  194.536   5.8336  102.434   6.1226  101.267   8.8849  103.488   8.4488  193.474   8.4985  195.599   7.9936 -2.124954 11.66717 
1 1 1  -29    2    6 o  521.163   6.9571  734.960   19.590  722.236   27.463  748.143   27.954  516.571   9.8383  525.755   9.8393 -9.183289 13.91423 
1 1 1  -29    2    7 o  164.299   6.4451   72.807   5.6975   82.881   8.2992   63.827   7.8357  175.023   8.7751  153.575   9.4421 21.44768 12.89014 
1 1 1  -29    2    8 o  475.127   6.5488  610.895   16.813  609.032   23.837  612.739   23.719  474.403   9.2984  475.851   9.2243 -1.447723 13.09768 
1 1 1  -29    2    9 o  103.465   12.789   35.416   6.0829   44.515   7.4467   17.169   10.545  128.221   10.748   78.710   23.210 49.51061 25.57766 
1 1 1  -29    2   10 o  209.866   8.3444  119.156   9.4629  119.156   9.4629   0.0000   0.0000  209.866   8.3444  ?   ?       ?      ? 
1 1 1  -29    2   11 o  311.535   6.6914  262.203   10.659  264.189   18.358  261.193   13.092  312.335   10.877  310.736   7.7969 1.599579 13.38288 
1 1 1  -29    2   12 o  330.603   7.1357  302.404   11.994  276.126   20.344  316.404   14.850  319.225   11.794  341.980   8.0359 -22.75482 14.27133 
1 1 1  -29    2   13 o  460.027   7.9775  567.624   18.378  588.739   33.177  558.277   22.073  465.899   13.178  454.155   8.9945 11.74429 15.95504 
1 1 1  -29    2   14 o  331.443   6.9048  295.667   11.663  292.091   14.248  302.928   20.304  328.547   8.0252  334.340   11.238 -5.792725 13.80956 
1 1 1  -29    2   15 o  477.257   8.1089  612.104   19.589  602.431   23.755  632.658   34.628  471.683   9.3198  482.831   13.272 -11.14722 16.21775 
1 1 1  -29    2   16 o  137.229   7.7593   51.133   5.7400   55.020   8.0977   47.208   8.1375  142.497   10.516  131.960   11.412 10.53723 15.51867 
1 1 1  -29    2   17 o  332.821   5.6901  299.762   10.232  297.530   14.348  302.071   14.596  331.564   8.0084  334.078   8.0854 -2.514862 11.38014 
1 1 1  -29    2   18 o  399.161   6.0226  431.330   12.990  431.958   18.411  430.707   18.330  399.449   8.5298  398.872   8.5045 0.5769653 12.04511 
1 1 1  -29    2   19 f  449.920   6.4003  548.081   15.559  555.401   22.212  541.028   21.801  452.866   9.0767  446.974   9.0262 5.892487 12.80069 
1 1 1  -29    2   20 o  133.299   8.0698   48.166   5.8110   46.651   8.1165   49.760   8.3234  131.148   11.453  135.451   11.372 -4.302856 16.13967 
1 1 1  -29    2   21 o  233.776   5.7840  147.918   7.3054  151.098   10.446  144.873   10.221  236.235   8.1829  231.318   8.1768 4.916962 11.56808 
1 1 1  -29    2   22 o  124.995   8.4624   42.398   5.7143   41.375   7.9728   43.480   8.1941  123.446   11.952  126.545   11.983 -3.098930 16.92480 
1 1 1  -29    2   23 o   93.520   11.233   24.207   5.5604   23.506   7.8635   24.908   7.8637   91.441   16.522   95.600   15.222 -4.159111 22.46579 
1 1 1  -29    2   24 o  201.484   6.1872  109.937   6.7332  105.543   9.3853  114.597   9.6653  197.335   8.8015  205.632   8.6983 -8.297195 12.37447 
1 1 1  -29    2   25 f  270.440   5.6511  198.154   8.2566  192.945   11.644  203.422   11.710  266.857   8.0746  274.022   7.9082 -7.165253 11.30215 
1 1 1  -29    2   26 o  237.125   7.0526  154.536   8.6298  159.442   10.812  145.923   14.325  242.547   8.2494  231.704   11.441 10.84329 14.10517 
1 1 1  -29    2   27 f  355.911   11.766  344.595   22.628   0.0000   0.0000  344.595   22.628  ?   ?   355.911   11.766      ?      ? 
1 1 1  -29    2   29 o  415.126   8.8597  469.611   19.854  480.405   28.857  459.910   27.358  419.588   12.727  410.665   12.328 8.922974 17.71935 
1 1 1  -29    2   30 o  336.007   5.7513  305.634   10.430  321.316   15.208  291.708   14.331  344.118   8.1785  327.896   8.0883 16.22263 11.50254 
1 1 1  -29    2   31 o  253.024   5.7486  173.566   7.8561  178.901   11.323  168.614   10.909  256.766   8.1611  249.283   8.0983 7.483276 11.49721 
1 1 1  -29    2   32 o  176.983   6.5218   84.997   6.2293   79.281   8.6311   91.211   8.9996  170.768   9.3534  183.198   9.0910 -12.42981 13.04350 
1 1 1  -29    2   33 o  126.163   7.9853   43.488   5.4382   41.797   7.7582   45.122   7.6251  123.713   11.605  128.613   10.972 -4.900276 15.97062 
1 1 1  -29    2   34 o  215.354   5.8457  126.104   6.8005  124.077   9.6865  128.075   9.5497  213.627   8.3912  217.081   8.1410 -3.454071 11.69138 
1 1 1  -29    2   35 o  301.393   5.6521  246.684   9.2006  238.854   12.777  255.117   13.260  296.434   7.9764  306.352   8.0100 -9.917969 11.30412 
1 1 1  -29    2   36 o  259.323   5.6299  182.849   7.8891  182.577   11.160  183.120   11.154  259.129   7.9701  259.517   7.9535 -0.3886108 11.25973 
1 1 1  -29    2   37 o  115.894   8.9321   37.351   5.5228   42.420   7.6314   31.776   8.0027  124.438   11.349  107.349   13.796 17.08866 17.86421 
1 1 1  -29    2   38 o   96.998   10.723   26.959   5.3749   22.533   7.9061   30.762   7.3290   88.358   17.177  105.638   12.839 -17.28013 21.44546 
1 1 1  -29    2   39 o  119.452   8.4379   39.322   5.4163   34.164   7.5577   44.769   7.7662  111.269   12.570  127.636   11.260 -16.36659 16.87580 
1 1 1  -29    2   40 o  194.311   6.0544  102.530   6.3400  112.305   9.3616   94.249   8.6168  202.825   8.5417  185.796   8.5826 17.02827 12.10872 
1 1 1  -29    2   41 o  146.013   7.3555   58.630   5.7933   62.521   8.1862   54.726   8.1996  150.955   10.036  141.071   10.756 9.883789 14.71106 
1 1 1  -29    2   42 f  175.266   6.7485   84.350   6.3877   86.982   8.9945   81.672   9.0732  178.081   9.3469  172.450   9.7366 5.631149 13.49693 
1 1 1  -29    2   43 o   43.655   12.731   1.3661   5.0756   5.2587   7.0632  -2.7903   7.2987   49.417   18.921   37.892   17.038 11.52566 25.46169 
1 1 1  -29    2   44 o   93.282   10.738   24.985   5.2663   22.485   7.4798   27.444   7.4159   87.673   16.391   98.891   13.878 -11.21794 21.47691 
1 1 1  -29    2   45 o  137.963   8.0713   52.674   5.9669   43.947   8.1676   62.664   8.7381  125.542   12.040  150.384   10.753 -24.84245 16.14253 
1 1 1  -29    2   46 f  149.870   7.5330   62.204   6.0962   65.584   8.7524   59.019   8.4960  153.866   10.527  145.875   10.778 7.990723 15.06601 
1 1 1  -29    2   47 o  178.305   6.8752   88.143   6.6072   83.688   9.5204   92.281   9.1771  173.769   10.139  182.842   9.2884 -9.073029 13.75042 
1 1 1  -29    2   48 o   67.327   14.164   14.026   5.5799   15.746   7.4925   11.884   8.3612   71.593   19.038   63.061   20.978 8.532242 28.32877 
1 1 1  -29    2   49 o   50.649   13.818   5.6107   5.4747   8.6765   7.7871   2.6144   7.6983   55.954   20.157   45.343   18.906 10.61097 27.63584 
1 1 1  -29    2   50 o   61.459   14.516   11.334   5.6577   11.454   8.1735   11.224   7.8392   61.772   20.744   61.146   20.311 0.6251831 29.03204 
1 1 1  -29    2   51 o   63.596   14.623   12.390   5.9333   16.083   8.2818   8.4963   8.5045   71.211   20.447   55.981   20.911 15.23067 29.24634 
1 1 1  -29    2   52 o   89.001   12.591   24.389   5.8433   25.838   8.3157   22.976   8.2127   91.926   17.377   86.076   18.225 5.850052 25.18150 
1 1 1  -29    2   53 o   82.049   13.544   21.483   6.0147   15.039   8.2771   28.693   8.7550   67.859   20.693   96.240   17.479 -28.38068 27.08721 
1 1 1  -29    2   54 o   75.248   18.796   20.311   9.6543   15.626   13.294   25.541   14.044   67.992   25.975   82.504   27.176 -14.51261 37.59288 
1 1 1  -29    2   57 o   53.346   14.829   8.8209   6.4134   5.2507   9.1652   12.246   8.9776   48.025   20.362   58.666   21.565 -10.64126 29.65882 
1 1 1  -29    2   58 o   55.153   15.156   9.5493   6.6504   12.442   8.8692   5.8342   10.051   59.866   21.518   50.441   21.351 9.424618 30.31297 
1 1 1  -29    2   59 o   68.297   14.480   17.415   6.5561   26.589   9.1108   7.5637   9.4414   86.133   19.964   50.460   20.980 35.67270 28.96090 
1 1 1  -29    3    1 o  619.162   7.9221  1037.92   26.502  1022.12   37.125  1054.34   37.844  614.361   11.183  623.963   11.224 -9.601440 15.84411 
1 1 1  -29    3    2 o  444.510   6.2660  534.337   15.047  520.205   21.005  549.231   21.565  438.477   8.8654  450.544   8.8576 -12.06744 12.53204 
1 1 1  -29    3    3 o  761.821   9.4711  1573.21   38.988  1570.11   55.219  1576.29   55.058  761.068   13.427  762.575   13.361 -1.506531 18.94213 
1 1 1  -29    3    4 o  245.833   5.5215  163.252   7.3300  170.070   10.593  156.988   10.154  250.751   7.8177  240.915   7.7995 9.836044 11.04305 
1 1 1  -29    3    5 o  646.841   8.2419  1133.28   28.808  1129.50   40.799  1137.03   40.681  645.762   11.692  647.921   11.619 -2.158508 16.48376 
1 1 1  -29    3    6 o  605.299   7.8010  991.727   25.505  1005.36   36.696  978.989   35.474  609.307   11.146  601.291   10.918 8.016418 15.60208 
1 1 1  -29    3    7 o  428.292   6.1764  495.934   14.281  504.443   20.725  488.242   19.705  431.777   8.8827  424.807   8.5843 6.969543 12.35284 
1 1 1  -29    3    8 f  299.354   6.6518  243.599   10.306  246.333   12.883  238.739   17.175  301.771   7.9002  296.937   10.704 4.833923 13.30351 
1 1 1  -29    3    9 o  692.192   10.696  1297.93   37.737  1293.29   46.209  1307.21   65.390  690.842   12.378  693.541   17.448 -2.698792 21.39297 
1 1 1  -29    3   10 o  353.788   6.9511  343.131   12.710  323.649   21.026  354.348   15.955  345.668   11.257  361.908   8.1583 -16.23959 13.90219 
1 1 1  -29    3   11 o  501.438   8.2661  690.812   21.549  644.820   35.060  718.735   27.318  487.626   13.306  515.250   9.8118 -27.62408 16.53228 
1 1 1  -29    3   12 o  161.346   7.0547   71.103   6.0612   56.990   8.5415   85.419   8.6025  145.044   10.898  177.648   8.9615 -32.60432 14.10942 
1 1 1  -29    3   13 o  197.293   7.9989  108.680   7.8499   97.050   13.785  114.262   9.5495  189.119   13.489  205.467   8.6010 -16.34753 15.99781 
1 1 1  -29    3   14 o  218.624   5.9188  126.916   6.9163  156.210   10.579  105.045   9.1405  240.252   8.1484  196.997   8.5866 43.25516 11.83755 
1 1 1  -29    3   15 o  304.756   6.7977  246.700   10.494  238.135   12.680  265.315   18.694  296.641   7.9105  312.872   11.057 -16.23083 13.59538 
1 1 1  -29    3   16 o  115.642   9.2248   36.336   5.7575   37.960   8.0857   34.665   8.2003  118.282   12.651  113.002   13.429 5.280281 18.44954 
1 1 1  -29    3   17 o  306.828   5.5198  254.798   9.1497  253.805   13.067  255.753   12.816  306.236   7.8963  307.420   7.7151 -1.184570 11.03966 
1 1 1  -29    3   18 o  333.757   5.6690  301.277   10.220  293.595   14.205  309.520   14.715  329.353   7.9814  338.162   8.0529 -8.808990 11.33808 
1 1 1  -29    3   19 o  206.508   6.0093  115.224   6.6989  109.305   9.2390  121.786   9.7271  200.926   8.5094  212.089   8.4875 -11.16257 12.01863 
1 1 1  -29    3   20 o  287.864   5.6383  224.315   8.7703  226.328   12.440  222.326   12.366  289.149   7.9620  286.579   7.9855 2.569855 11.27656 
1 1 1  -29    3   21 o  212.096   6.0569  121.839   6.9411  122.374   9.7643  121.293   9.8690  212.570   8.5006  211.621   8.6303 0.9488831 12.11370 
1 1 1  -29    3   22 o   76.421   13.487   16.626   5.5645   18.191   7.8254   15.024   7.9143   79.997   18.476   72.845   19.653 7.151749 26.97354 
1 1 1  -29    3   23 o   38.307   11.306  -7.6596   5.0413 -22.8658   7.3021   6.1888   6.9685   24.234   12.202   52.380   19.038 -28.14618 22.61254 
1 1 1  -29    3   24 o  348.118   5.7971  328.318   10.903  329.550   15.565  327.131   15.279  348.751   8.2591  347.484   8.1372 1.267853 11.59428 
1 1 1  -29    3   25 o  260.925   5.7048  184.208   8.0376  175.956   11.133  193.192   11.616  254.829   8.0850  267.021   8.0504 -12.19217 11.40952 
1 1 1  -29    3   26 o  248.480   7.9671  167.670   10.692  162.973   14.851  172.725   15.408  244.876   11.223  252.084   11.311 -7.208481 15.93413 
1 1 1  -29    3   27 o  228.012   12.040  141.509   14.835   0.0000   0.0000  141.509   14.835  ?   ?   228.012   12.040      ?      ? 
1 1 1  -29    3   28 o  199.993   13.483  109.189   14.571   0.0000   0.0000  109.189   14.571  ?   ?   199.993   13.483      ?      ? 
1 1 1  -29    3   29 o  120.343   12.597   39.995   8.1631   43.829   11.551   36.171   11.537  126.230   16.935  114.457   18.654 11.77274 25.19452 
1 1 1  -29    3   30 o  105.524   9.9086   30.531   5.6327   27.897   7.9848   33.140   7.9470  100.923   14.642  110.125   13.355 -9.201897 19.81710 
1 1 1  -29    3   31 f  372.812   5.8815  377.169   11.846  380.922   16.964  373.598   16.549  374.608   8.3806  371.016   8.2543 3.592834 11.76301 
1 1 1  -29    3   32 o   85.067   12.219   20.753   5.4187   18.962   7.8205   22.408   7.5151   81.241   18.259   88.892   16.244 -7.651329 24.43880 
1 1 1  -29    3   33 o  145.635   7.2636   57.794   5.7144   59.823   8.1385   55.821   8.0254  148.168   10.165  143.101   10.379 5.067581 14.52717 
1 1 1  -29    3   34 o  109.512   9.0797   32.815   5.3428   28.276   7.3688   37.846   7.7579  101.468   13.439  117.556   12.213 -16.08716 18.15944 
1 1 1  -29    3   35 o  120.753   8.3383   39.957   5.4293   36.807   7.6446   43.163   7.7122  115.889   12.207  125.616   11.362 -9.726830 16.67668 
1 1 1  -29    3   36 o  114.520   8.9130   35.892   5.4963   31.906   7.5637   40.353   8.0006  107.747   12.991  121.293   12.207 -13.54649 17.82607 
1 1 1  -29    3   37 o  178.418   6.3397   86.703   6.1068   81.716   8.5142   91.987   8.7639  173.114   9.1017  183.721   8.8278 -10.60663 12.67950 
1 1 1  -29    3   38 o  226.620   5.7404  139.664   7.0219  148.910   10.157  131.199   9.7182  233.810   8.0395  219.431   8.1960 14.37939 11.48079 
1 1 1  -29    3   39 o  349.888   5.8325  333.779   11.026  337.267   15.753  330.430   15.437  351.663   8.2899  348.112   8.2066 3.550354 11.66492 
1 1 1  -29    3   40 o   76.275   12.405   17.020   5.2325   10.880   7.4896   22.873   7.3134   61.993   19.802   90.558   14.945 -28.56546 24.80930 
1 1 1  -29    3   41 o  126.004   8.3118   43.819   5.6243   50.462   8.1058   37.651   7.8102  135.362   11.082  116.646   12.391 18.71505 16.62357 
1 1 1  -29    3   42 o  108.310   9.6415   32.747   5.6354   32.680   8.1742   32.808   7.7798  108.112   13.992  108.507   13.269 -0.3944778 19.28304 
1 1 1  -29    3   43 o  174.930   6.6357   84.071   6.2633   78.372   8.8039   89.912   8.9124  168.844   9.6494  181.016   9.1115 -12.17236 13.27145 
1 1 1  -29    3   44 o   50.448   12.648   4.2205   5.0473   12.488   7.2233  -3.6679   7.0557   64.825   19.234   36.070   16.430 28.75487 25.29606 
1 1 1  -29    3   45 o   55.216   13.213   7.3586   5.2663   13.989   7.3349   0.3039   7.5659   68.139   19.134   42.293   18.228 25.84604 26.42659 
1 1 1  -29    3   46 o   41.723   12.775   0.0335   5.3077   0.5758   7.5186  -0.5052   7.4938   42.479   18.237   40.967   17.893 1.511753 25.54948 
1 1 1  -29    3   47 o   76.958   13.583   18.126   5.6214   18.062   7.6779   18.201   8.2530   77.007   18.649   76.909   19.754 0.9735107E-01 27.16675 
1 1 1  -29    3   48 o  139.153   8.4880   54.416   6.3793   55.227   8.9298   53.572   9.1164  140.311   11.778  137.995   12.226 2.315750 16.97600 
1 1 1  -29    3   49 o   66.076   13.590   12.942   5.5582   20.165   8.0003   6.2025   7.7278   80.917   18.676   51.234   19.747 29.68361 27.17974 
1 1 1  -29    3   50 o   46.319   13.127   1.5649   5.4938   9.2434   8.0216  -5.2184   7.5395   57.246   20.475   35.391   16.432 21.85482 26.25336 
1 1 1  -29    3   51 o   40.081   12.522  -2.5127   5.5637  -7.8909   7.6818   3.4211   8.0688   33.232   15.784   46.929   19.444 -13.69755 25.04375 
1 1 1  -29    3   52 o  111.241   10.200   35.769   6.1027   40.720   8.8828   31.343   8.3985  118.813   13.836  103.668   14.992 15.14514 20.40079 
1 1 1  -29    3   53 o   40.456   12.503  -3.0624   5.7035   5.7931   8.1456 -11.5801   7.9887   49.899   19.955   31.012   15.071 18.88729 25.00668 
1 1 1  -29    3   54 o   89.090   17.461   28.516   10.624   48.063   14.583   6.4077   15.509  118.939   23.523   59.241   25.812 59.69796 34.92274 
1 1 1  -29    3   56 o  133.858   13.951   58.917   10.023   63.649   13.939   53.851   14.422  141.111   18.280  126.605   21.081 14.50593 27.90283 
1 1 1  -29    3   57 o   72.110   15.033   18.796   6.6075   25.513   9.3737   12.162   9.3154   85.238   20.584   58.983   21.914 26.25482 30.06514 
1 1 1  -29    3   58 o   61.694   15.656   13.746   6.6425   13.073   9.3589   14.430   9.4292   60.495   22.051   62.893   22.231 -2.398323 31.31241 
1 1 1  -29    4    1 o  291.189   5.3774  228.673   8.4384  238.103   12.491  220.755   11.445  296.688   7.7912  285.691   7.4137 10.99661 10.75481 
1 1 1  -29    4    2 o  541.300   7.1680  793.176   20.965  783.064   29.562  803.410   29.738  537.825   10.172  544.774   10.102 -6.949402 14.33591 
1 1 1  -29    4    3 o  440.232   6.2568  524.422   14.882  523.365   21.223  525.445   20.873  439.789   8.9305  440.675   8.7655 -0.8853760 12.51353 
1 1 1  -29    4    4 o  677.857   8.5713  1244.94   31.395  1237.28   44.388  1252.60   44.411  675.765   12.156  679.948   12.087 -4.182861 17.14251 
1 1 1  -29    4    5 o  251.503   5.5051  170.899   7.4747  175.507   10.857  166.747   10.307  254.718   7.8876  248.288   7.6820 6.430679 11.01029 
1 1 1  -29    4    6 o  103.883   10.009   29.879   5.2015   42.827   7.6831   18.922   7.0676  125.746   11.307   82.020   16.518 43.72626 20.01711 
1 1 1  -29    4    7 o  619.126   9.6880  1045.43   30.949  1059.98   38.578  1019.14   51.841  625.555   11.413  612.698   15.658 12.85706 19.37590 
1 1 1  -29    4    8 o  896.112   13.505  2174.10   61.274  2153.07   74.452  2218.24  107.872  890.551   15.471  901.672   22.140 -11.12146 27.00976 
1 1 1  -29    4    9 o  424.014   7.4552  491.049   16.315  472.522   27.221  501.436   20.382  417.568   12.064  430.460   8.7625 -12.89221 14.91047 
1 1 1  -29    4   10 o  444.273   7.7066  534.425   17.384  535.360   30.318  533.967   21.218  444.366   12.626  444.180   8.8401 0.1864929 15.41330 
1 1 1  -29    4   11 o  538.312   7.1845  784.246   20.883  797.958   30.224  771.720   28.887  542.794   10.305  533.831   10.014 8.962646 14.36893 
1 1 1  -29    4   12 o  360.402   5.8008  351.395   11.291  354.820   16.272  348.214   15.680  362.087   8.3164  358.717   8.0893 3.370667 11.60169 
1 1 1  -29    4   13 o   85.462   12.138   21.424   5.5000   10.855   7.9433   31.158   7.6229   63.768   20.396  107.156   13.165 -43.38797 24.27570 
1 1 1  -29    4   14 o  381.889   7.3972  391.780   14.068  403.829   25.615  386.576   16.834  385.853   12.285  377.925   8.2433 7.927368 14.79440 
1 1 1  -29    4   15 o  134.232   7.9973   48.947   5.7413   58.299   8.2651   40.226   7.9811  146.683   10.428  121.782   12.128 24.90094 15.99457 
1 1 1  -29    4   16 o   64.638   14.912   11.306   6.1832   14.722   7.5124   4.1306   10.887   72.172   19.002   57.105   22.987 15.06652 29.82431 
1 1 1  -29    4   17 o  500.576   6.8476  678.609   18.519  686.501   26.513  671.091   25.877  503.409   9.7466  497.744   9.6209 5.665192 13.69517 
1 1 1  -29    4   18 o   54.081   13.932   6.2587   5.3663   8.7956   7.6390   3.7871   7.5401   58.986   20.053   49.177   19.347 9.809509 27.86459 
1 1 1  -29    4   19 o  274.948   5.6824  204.649   8.4399  198.085   11.893  211.308   11.980  270.500   8.1361  279.396   7.9349 -8.896057 11.36481 
1 1 1  -29    4   20 o  193.146   6.2761  100.860   6.5416  104.534   9.5546   97.619   8.9751  196.443   9.0009  189.848   8.7487 6.594879 12.55215 
1 1 1  -29    4   21 o  140.214   8.0103   53.340   6.0682   54.519   8.6625   52.204   8.5033  141.736   11.310  138.692   11.346 3.044083 16.02051 
1 1 1  -29    4   22 o  412.731   6.1570  461.427   13.726  466.363   19.729  456.796   19.110  414.857   8.8005  410.605   8.6130 4.252380 12.31398 
1 1 1  -29    4   23 o  276.387   5.7354  206.974   8.5645  203.796   12.145  210.118   12.080  274.268   8.1944  278.505   8.0267 -4.236908 11.47072 
1 1 1  -29    4   24 o   45.829   13.435   1.5330   5.4522   1.3757   7.6482   1.6955   7.7745   45.423   18.884   46.236   19.115 -0.8125381 26.86990 
1 1 1  -29    4   25 o  111.863   12.279   36.169   6.7381   39.236   8.3991   30.631   11.286  120.048   12.948  103.679   20.868 16.36848 24.55825 
1 1 1  -29    4   26 o  320.780   7.9161  279.701   13.720  281.306   19.579  278.153   19.231  321.672   11.264  319.888   11.126 1.783691 15.83213 
1 1 1  -29    4   27 o   88.112   23.467   22.356   11.373   0.0000   0.0000   22.356   11.373  ?   ?    88.112   23.467      ?      ? 
1 1 1  -29    4   28 o  236.384   8.5581  153.055   10.864  144.009   15.979  160.833   14.816  229.720   12.872  243.048   11.281 -13.32840 17.11622 
1 1 1  -29    4   29 o   99.785   15.247   28.925   8.1336   21.795   11.979   35.023   11.079   86.906   24.470  112.663   18.198 -25.75687 30.49472 
1 1 1  -29    4   30 f   91.945   11.312   23.660   5.4427   19.359   7.5811   28.236   7.8189   82.325   17.576  101.565   14.247 -19.24017 22.62497 
1 1 1  -29    4   31 o   92.900   10.939   24.018   5.2640   31.093   7.7424   17.936   7.1784  106.612   13.439   79.188   17.263 27.42371 21.87745 
1 1 1  -29    4   32 o  216.008   5.9882  125.866   6.9631  141.494   10.328  112.843   9.4281  228.226   8.3746  203.789   8.5616 24.43703 11.97639 
1 1 1  -29    4   33 o  164.398   6.7915   73.700   6.0223   71.732   8.7115   75.502   8.3346  162.247   9.9364  166.550   9.2609 -4.302643 13.58292 
1 1 1  -29    4   34 o  301.768   5.7258  247.503   9.3359  243.871   13.097  251.253   13.311  299.519   8.0922  304.016   8.1028 -4.497070 11.45165 
1 1 1  -29    4   35 o  185.727   6.3998   93.798   6.4070   91.920   8.7218   95.999   9.4427  183.754   8.7838  187.700   9.3099 -3.946014 12.79954 
1 1 1  -29    4   36 o  134.991   7.7677   49.764   5.6570   48.338   7.7432   51.396   8.2847  132.952   10.778  137.030   11.189 -4.077438 15.53540 
1 1 1  -29    4   37 f  237.400   5.8261  153.209   7.4653  143.446   10.340  163.840   10.790  229.491   8.3378  245.310   8.1397 -15.81824 11.65221 
1 1 1  -29    4   38 o  206.921   6.0848  116.604   6.7971  123.585   9.8331  110.216   9.4062  212.855   8.5491  200.986   8.6608 11.86819 12.16952 
1 1 1  -29    4   39 o  215.042   5.9397  126.002   6.8962  133.432   9.9392  119.106   9.5762  221.167   8.3165  208.916   8.4827 12.25020 11.87944 
1 1 1  -29    4   40 o   81.350   12.329   19.213   5.2521   17.180   7.1619   21.578   7.7252   76.566   17.669   86.133   17.200 -9.567413 24.65850 
1 1 1  -29    4   41 o  220.114   5.8794  132.378   6.9927  131.676   9.8337  133.097   9.9457  219.530   8.2896  220.697   8.3397 -1.166885 11.75877 
1 1 1  -29    4   42 o  187.297   6.3428   96.269   6.4116   93.720   9.2202   98.656   8.9218  184.814   9.2325  189.781   8.6999 -4.967377 12.68566 
1 1 1  -29    4   43 f  218.195   5.9863  130.390   7.0571  127.401   9.9409  133.427   10.020  215.651   8.5308  220.738   8.4005 -5.087143 11.97255 
1 1 1  -29    4   44 o  106.717   9.4388   31.942   5.4396   31.877   7.8257   32.003   7.5663  106.540   13.593  106.895   13.099 -0.3547287 18.87761 
1 1 1  -29    4   45 f   52.818   13.553   6.2717   5.3042   1.3979   7.4289   11.340   7.5758   43.490   18.379   62.147   19.923 -18.65646 27.10575 
1 1 1  -29    4   46 o   64.128   12.763   11.705   5.5476   21.169   7.5228   0.4225   8.2135   84.342   17.092   43.914   18.959 40.42731 25.52593 
1 1 1  -29    4   47 f   50.223   12.087  -1.4918   5.5405 -16.8404   7.5354   16.570   8.1743   27.189   13.487   73.256   20.061 -46.06665 24.17325 
1 1 1  -29    4   48 o  150.048   7.7438   62.844   6.2760   64.302   9.0416   61.488   8.7184  151.691   11.031  148.405   10.872 3.286789 15.48766 
1 1 1  -29    4   49 o   47.245   13.524   3.9922   5.3694   3.2643   7.6537   4.6977   7.5347   46.200   19.020   48.291   19.232 -2.091312 27.04815 
1 1 1  -29    4   50 o   62.540   14.308   11.806   5.5975   9.1577   7.8845   14.497   7.9480   56.902   20.305   68.178   20.163 -11.27564 28.61571 
1 1 1  -29    4   51 o   41.496   12.806  -0.2962   5.4999  -3.1395   7.7142   2.6433   7.8435   37.724   17.182   45.268   18.994 -7.543652 25.61276 
1 1 1  -29    4   52 o  111.935   11.671   38.569   6.4942   51.976   9.1659   25.056   9.2026  134.906   12.573   88.965   19.666 45.94099 23.34176 
1 1 1  -29    4   53 o  132.538   9.4967   51.752   6.7098   58.945   9.3093   43.975   9.6798  143.191   12.031  121.886   14.697 21.30460 18.99342 
1 1 1  -29    4   56 o   44.987   14.918  -4.6740   9.0607  -9.0023   12.053   0.9507   13.740   40.327   19.323   49.646   22.733 -9.318447 29.83597 
1 1 1  -29    4   57 o   75.891   14.254   20.131   6.5766   9.8353   9.2618   30.602   9.3401   55.607   21.566   96.174   18.645 -40.56741 28.50888 
1 1 1  -29    4   58 o   45.588   13.930   3.6468   6.3022   5.0171   8.8541   2.2397   8.9724   47.222   20.017   43.953   19.377 3.269070 27.85907 
1 1 1  -29    5    1 o  325.854   5.5062  287.332   9.6908  284.431   13.878  290.093   13.538  324.241   7.9207  327.467   7.6509 -3.226105 11.01239 
1 1 1  -29    5    2 o  377.750   5.7801  385.913   11.781  389.111   17.162  383.062   16.202  379.217   8.3752  376.284   7.9684 2.932831 11.56024 
1 1 1  -29    5    3 o  282.906   7.5007  216.496   11.466   0.0000   0.0000  216.496   11.466  ?   ?   282.906   7.5007      ?      ? 
1 1 1  -29    5    4 o  473.200   6.5655  606.040   16.781  607.336   24.085  604.817   23.395  473.680   9.4097  472.720   9.1586 0.9602661 13.13093 
1 1 1  -29    5    5 o  445.196   9.0013  536.413   21.654  536.413   21.654   0.0000   0.0000  445.196   9.0013  ?   ?       ?      ? 
1 1 1  -29    5    6 o  452.269   12.526  554.505   30.612   0.0000   0.0000  554.505   30.612  ?   ?   452.269   12.526      ?      ? 
1 1 1  -29    5    7 o  141.390   8.6735   51.631   6.4674   41.845   8.1631   68.131   10.599  124.248   12.158  158.532   12.373 -34.28355 17.34690 
1 1 1  -29    5    8 o  301.348   6.5346  246.122   10.167  244.820   17.100  246.833   12.644  300.645   10.526  302.051   7.7467 -1.405884 13.06921 
1 1 1  -29    5    9 o  292.612   6.6736  236.745   10.066  214.459   16.549  249.833   12.682  281.349   10.886  303.875   7.7235 -22.52560 13.34721 
1 1 1  -29    5   10 o  195.933   6.1667  104.588   6.4804   96.908   9.5428  111.161   8.8282  189.188   9.3346  202.678   8.0608 -13.49017 12.33331 
1 1 1  -29    5   11 o  436.158   6.2772  513.845   14.762  531.501   21.742  498.745   20.107  443.074   9.0810  429.243   8.6687 13.83096 12.55437 
1 1 1  -29    5   12 o  262.904   5.5555  187.160   7.8781  184.996   11.456  189.101   10.852  261.449   8.1085  264.360   7.5964 -2.911743 11.11098 
1 1 1  -29    5   13 o  202.972   6.2049  112.060   6.7733  103.150   9.7892  120.242   9.3815  195.172   9.2820  210.773   8.2370 -15.60103 12.40986 
1 1 1  -29    5   14 o  322.913   5.6827  282.507   9.9053  270.901   14.120  293.751   13.899  316.361   8.2599  329.465   7.8068 -13.10416 11.36545 
1 1 1  -29    5   15 o  496.654   8.4448  669.627   21.154  667.342   37.313  670.710   25.680  495.684   13.930  497.624   9.5502 -1.940125 16.88967 
1 1 1  -29    5   16 o  203.228   6.2665  111.872   6.8784  107.938   9.7317  115.799   9.7233  199.649   9.0206  206.807   8.7008 -7.158310 12.53296 
1 1 1  -29    5   17 o   81.528   14.768   19.912   6.4632   23.038   7.9031   13.599   11.231   90.563   16.767   72.492   24.316 18.07063 29.53642 
1 1 1  -29    5   18 o  344.496   5.8090  321.114   10.809  327.058   15.571  315.586   15.016  347.565   8.2906  341.427   8.1390 6.137451 11.61794 
1 1 1  -29    5   19 o  239.561   5.9193  155.535   7.6538  147.250   10.839  163.776   10.810  233.177   8.6020  245.945   8.1337 -12.76790 11.83858 
1 1 1  -29    5   20 o  391.410   6.0728  414.860   12.839  418.904   18.467  411.076   17.862  393.243   8.6905  389.576   8.4848 3.667450 12.14567 
1 1 1  -29    5   21 o  441.080   6.4176  527.294   15.295  523.424   21.689  531.123   21.573  439.461   9.1335  442.699   9.0179 -3.237701 12.83528 
1 1 1  -29    5   22 o  199.217   6.2910  107.543   6.7700  108.564   9.7216  106.580   9.4333  200.129   8.9896  198.305   8.8032 1.823975 12.58207 
1 1 1  -29    5   23 o  459.895   6.5636  573.535   16.311  574.172   23.167  572.908   22.968  460.142   9.3172  459.648   9.2474 0.4943237 13.12727 
1 1 1  -29    5   24 o  130.858   10.145   43.653   6.9071   35.915   8.4812   58.896   11.903  114.812   13.670  146.903   14.995 -32.09056 20.29078 
1 1 1  -29    5   25 o   51.282   15.451   0.0157   7.5673   2.1721   10.728  -2.1198   10.676   53.871   22.378   48.693   21.310 5.178360 30.90132 
1 1 1  -29    5   26 o  131.250   11.017   47.274   7.7646   40.991   10.922   53.694   11.040  122.303   16.527  140.196   14.573 -17.89291 22.03435 
1 1 1  -29    5   27 o  158.742   13.918   68.851   11.939   0.0000   0.0000   68.851   11.939  ?   ?   158.742   13.918      ?      ? 
1 1 1  -29    5   28 o  168.911   9.9760   78.559   9.0440   70.270   13.041   86.239   12.553  160.123   15.072  177.698   13.073 -17.57544 19.95193 
1 1 1  -29    5   29 f  275.329   6.8716  202.359   9.7435  194.339   11.967  218.131   16.782  267.609   8.2755  283.049   10.972 -15.43997 13.74325 
1 1 1  -29    5   30 o  175.738   6.6642   83.369   6.3016   94.891   9.3164   73.651   8.5557  186.877   9.2258  164.599   9.6193 22.27832 13.32841 
1 1 1  -29    5   31 o  151.564   7.3732   62.202   5.9934   73.766   8.8177   52.273   8.1711  164.640   9.9114  138.488   10.919 26.15236 14.74648 
1 1 1  -29    5   32 o  334.513   5.7964  303.969   10.476  306.296   14.949  301.723   14.686  335.762   8.2392  333.264   8.1553 2.497467 11.59276 
1 1 1  -29    5   33 o  167.254   6.7669   76.375   6.0989   70.228   8.6577   82.429   8.5928  160.499   9.9827  174.009   9.1385 -13.51048 13.53387 
1 1 1  -29    5   34 o  191.286   6.3725  100.015   6.5548   89.324   9.3174  110.490   9.2230  181.041   9.5242  201.532   8.4691 -20.49133 12.74509 
1 1 1  -29    5   35 o   54.983   13.555   7.1805   5.1067   10.982   7.3994   3.7233   7.0566   62.650   19.644   47.317   18.685 15.33305 27.11068 
1 1 1  -29    5   36 o  350.336   5.8995  333.922   11.165  325.275   15.557  343.106   16.033  345.667   8.3285  355.005   8.3578 -9.338715 11.79903 
1 1 1  -29    5   37 o  224.188   5.9529  136.854   7.2078  131.432   10.025  142.657   10.371  219.588   8.4485  228.788   8.3886 -9.199722 11.90573 
1 1 1  -29    5   38 o   38.116   11.737  -4.0433   4.9764 -11.2493   6.9293   3.6321   7.1514   29.142   14.133   47.090   18.741 -17.94813 23.47301 
1 1 1  -29    5   39 o   96.755   14.636   26.067   7.6522   0.0000   0.0000   26.067   7.6522  ?   ?    96.755   14.636      ?      ? 
1 1 1  -29    5   40 o   66.191   12.465   12.457   5.3088   1.9650   7.7497   21.734   7.2870   45.655   18.997   86.726   16.143 -41.07108 24.92983 
1 1 1  -29    5   41 f   41.979   12.337  -1.0136   5.1295   6.1263   7.2387  -8.2149   7.2697   51.504   19.282   32.455   15.397 19.04937 24.67499 
1 1 1  -29    5   42 o  209.087   6.0633  119.767   6.8483  122.303   9.6405  117.183   9.7299  211.366   8.4407  206.807   8.7067 4.558350 12.12651 
1 1 1  -29    5   43 o  125.577   8.4215   43.807   5.7132   45.046   8.1018   42.582   8.0577  127.383   11.770  123.771   12.048 3.611641 16.84291 
1 1 1  -29    5   44 o   59.208   13.851   9.9359   5.3438   13.197   7.2761   6.1172   7.8737   66.327   19.201   52.090   19.969 14.23686 27.70253 
1 1 1  -29    5   45 o  158.209   7.5727   69.374   6.4618   75.078   9.2371   63.908   9.0426  164.698   10.379  151.719   11.030 12.97855 15.14538 
1 1 1  -29    5   46 o   79.492   13.546   19.332   5.7549   17.978   8.3261   20.570   7.9633   76.486   19.941   82.498   18.339 -6.011528 27.09107 
1 1 1  -29    5   47 o  148.565   7.8289   61.569   6.2837   59.959   8.7943   63.248   8.9816  146.567   11.104  150.562   11.040 -3.994873 15.65787 
1 1 1  -29    5   48 o   99.057   11.511   28.925   6.0062   31.218   8.4588   26.594   8.5298  104.125   15.034   93.989   17.437 10.13615 23.02280 
1 1 1  -29    5   49 o   94.216   11.975   27.115   5.8014   18.991   8.3351   34.749   8.0797   77.999   19.755  110.433   13.540 -32.43372 23.94920 
1 1 1  -29    5   50 o  128.986   8.7933   47.119   6.1271   48.166   8.7970   46.133   8.5387  130.350   12.489  127.621   12.382 2.729546 17.58656 
1 1 1  -29    5   51 o  200.131   6.6931  111.647   7.2360  114.245   10.207  109.023   10.259  202.561   9.3255  197.701   9.6034 4.860657 13.38618 
1 1 1  -29    5   52 o   61.493   13.833   10.970   5.9261   2.0533   8.5558   19.193   8.2162   45.579   19.508   77.407   19.618 -31.82793 27.66645 
1 1 1  -29    5   53 o   84.972   13.402   23.815   6.3129   14.126   9.0751   32.899   8.7875   65.127   21.858  104.818   15.515 -39.69151 26.80435 
1 1 1  -29    5   56 o   46.126   14.270   2.8862   6.9005  -1.0953   9.8933   6.6583   9.6296   42.040   19.265   50.213   21.057 -8.173035 28.54005 
1 1 1  -29    5   57 o   54.885   15.145   8.8877   6.6899   4.6487   9.5235   13.017   9.3996   48.587   20.683   61.184   22.130 -12.59676 30.29093 
1 1 1  -29    5   58 o  109.629   12.268   39.595   6.8622   51.743   9.9862   28.726   9.4457  129.197   14.304   90.061   19.936 39.13654 24.53679 
1 1 1  -29    6    1 o  391.821   8.1718  415.468   17.302   0.0000   0.0000  415.468   17.302  ?   ?   391.821   8.1718      ?      ? 
1 1 1  -29    6    2 o  111.627   8.6592   33.629   5.1393   42.593   7.5783   25.996   6.9930  125.369   11.186   97.885   13.221 27.48392 17.31843 
1 1 1  -29    6    3 o  236.174   5.5848  150.975   7.1213  149.717   10.261  152.143   9.8909  235.217   8.0733  237.131   7.7190 -1.914322 11.16965 
1 1 1  -29    6    4 o  242.164   5.4952  158.554   7.1813  160.885   10.461  156.477   9.8759  243.839   7.9395  240.490   7.5996 3.348648 10.99046 
1 1 1  -29    6    5 o  173.486   6.6050   80.966   6.1719   88.915   9.1711   74.386   8.3442  181.218   9.3655  165.754   9.3161 15.46452 13.20992 
1 1 1  -29    6    6 o  250.648   6.5184  169.116   8.5527  166.243   10.784  173.986   14.042  247.857   8.0516  253.440   10.253 -5.583099 13.03679 
1 1 1  -29    6    7 f  299.467   5.5587  241.813   8.9622  252.225   13.363  233.302   12.082  305.291   8.1005  293.643   7.6144 11.64801 11.11740 
1 1 1  -29    6    8 o  449.562   7.7116  552.486   17.804  531.982   30.029  563.601   22.109  442.857   12.548  456.267   8.9673 -13.41031 15.42325 
1 1 1  -29    6    9 o   91.660   11.298   22.954   5.4359   27.638   8.1378   19.181   7.3046  100.853   14.932   82.468   16.958 18.38513 22.59533 
1 1 1  -29    6   10 o  147.868   7.0620   59.030   5.6198   61.335   8.3956   57.158   7.5645  150.462   10.326  145.274   9.6362 5.187927 14.12395 
1 1 1  -29    6   11 o  301.225   5.6327  245.950   9.1533  232.445   13.047  259.040   12.845  293.052   8.2390  309.398   7.6829 -16.34656 11.26532 
1 1 1  -29    6   12 o  360.893   5.8013  351.680   11.284  363.753   16.674  341.478   15.327  366.577   8.4177  355.210   7.9851 11.36783 11.60259 
1 1 1  -29    6   13 o  133.108   8.0210   48.027   5.7618   48.220   8.3715   47.853   7.9422  133.351   11.618  132.865   11.062 0.4863129 16.04194 
1 1 1  -29    6   14 o  220.628   5.9534  132.003   7.0775  128.338   10.323  135.254   9.7220  217.715   8.7747  223.542   8.0484 -5.826874 11.90686 
1 1 1  -29    6   15 o  197.588   8.1865  105.682   7.8076  106.329   14.896  105.438   9.1678  197.836   13.934  197.340   8.5973 0.4963837 16.37300 
1 1 1  -29    6   16 o  103.030   14.259   34.709   6.7398   19.437   12.905   40.437   7.9033   83.978   25.879  122.082   11.980 -38.10411 28.51717 
1 1 1  -29    6   17 o  190.784   7.9634   96.251   7.8264   90.972   9.5862  106.802   13.554  183.233   9.6817  198.335   12.646 -15.10208 15.92690 
1 1 1  -29    6   18 o  310.306   7.0365  263.648   11.247  270.114   14.031  252.027   18.811  315.840   8.2214  304.771   11.422 11.06848 14.07306 
1 1 1  -29    6   19 o  242.913   8.0875  159.792   10.616   0.0000   0.0000  159.792   10.616  ?   ?   242.913   8.0875      ?      ? 
1 1 1  -29    6   20 o  255.271   5.8118  176.205   8.0043  181.702   11.715  171.393   10.962  258.987   8.3711  251.556   8.0643 7.430115 11.62357 
1 1 1  -29    6   21 o  117.253   9.3666   37.994   5.8284   30.520   8.3843   44.984   8.1079  105.824   14.662  128.681   11.660 -22.85665 18.73323 
1 1 1  -29    6   22 o  281.300   5.7547  214.281   8.7438  218.219   12.587  210.609   12.155  283.789   8.2082  278.811   8.0679 4.978485 11.50938 
1 1 1  -29    6   23 o  454.279   7.9840  559.983   18.639  558.243   23.027  563.288   31.741  453.655   9.3935  454.903   12.913 -1.248657 15.96794 
1 1 1  -29    6   24 o  248.122   7.9881  167.167   10.696  170.721   15.592  164.009   14.701  250.581   11.515  245.663   11.074 4.917130 15.97622 
1 1 1  -29    6   25 o  184.116   9.1280   92.029   9.0542  102.703   13.216   82.590   12.429  194.175   12.596  174.056   13.215 20.11894 18.25607 
1 1 1  -29    6   26 o  238.653   7.2478  154.746   8.7419  154.977   15.375  154.635   10.627  238.533   11.928  238.773   8.2362 -0.2400513 14.49550 
1 1 1  -29    6   27 f  242.167   8.5649  160.121   11.145  157.748   16.594  162.072   15.044  240.406   12.773  243.928   11.414 -3.521591 17.12979 
1 1 1  -29    6   28 o  362.765   8.5616  357.864   16.732  371.622   24.816  346.396   22.657  369.044   12.444  356.486   11.762 12.55835 17.12317 
1 1 1  -29    6   29 o  250.053   7.1614  169.931   9.2005  169.621   11.368  170.518   15.664  249.981   8.4157  250.124   11.590 -0.1431732 14.32282 
1 1 1  -29    6   30 o  369.569   5.9036  370.938   11.786  362.024   16.701  379.785   16.636  365.119   8.4647  374.019   8.2315 -8.900818 11.80712 
1 1 1  -29    6   31 o   48.295   13.381   3.3630   5.2864  -0.5875   7.6306   7.0090   7.3306   42.295   18.267   54.295   19.557 -11.99991 26.76141 
1 1 1  -29    6   32 o   49.507   13.418   4.4794   5.1450   1.6403   7.3928   7.1459   7.1647   44.796   18.590   54.219   19.355 -9.423168 26.83668 
1 1 1  -29    6   33 o   46.780   13.454   2.2787   5.4061   4.9672   7.8290  -0.1716   7.4741   51.244   19.841   42.317   18.176 8.927368 26.90787 
1 1 1  -29    6   34 o  187.473   6.2963   95.557   6.3720  101.699   9.1978   89.889   8.8359  193.273   8.8069  181.674   9.0006 11.59854 12.59257 
1 1 1  -29    6   35 o  167.933   6.9742   77.282   6.2538   62.887   8.7298   92.457   8.9633  151.662   10.652  184.204   9.0049 -32.54175 13.94845 
1 1 1  -29    6   36 o  180.740   6.6545   89.136   6.4968   92.520   9.2862   85.891   9.0927  184.114   9.3339  177.366   9.4871 6.747955 13.30892 
1 1 1  -29    6   37 o   80.701   11.946   19.210   5.3136   30.317   7.5556   8.3419   7.4741  104.710   13.353   56.692   19.812 48.01788 23.89169 
1 1 1  -29    6   38 o   46.833   12.495   0.3226   5.2303   10.865   7.5739  -9.2882   7.2316   62.084   19.922   31.582   15.088 30.50193 24.99082 
1 1 1  -29    6   39 o  125.340   8.4473   43.079   5.6900   49.920   8.3749   37.215   7.7545  134.618   11.513  116.061   12.365 18.55705 16.89468 
1 1 1  -29    6   40 o  152.257   7.2955   63.359   5.9712   73.124   8.7776   54.946   8.1468  163.206   9.9529  141.307   10.669 21.89905 14.59093 
1 1 1  -29    6   41 o  274.973   5.7099  206.631   8.4738  208.105   12.310  205.303   11.683  275.831   8.2588  274.115   7.8871 1.716125 11.41986 
1 1 1  -29    6   42 o   40.833   12.425  -0.4334   5.1075  -4.2852   7.5827   2.7654   6.9102   37.035   16.933   44.631   18.188 -7.595921 24.84972 
1 1 1  -29    6   43 o   47.001   13.229   3.2534   5.2255   7.0561   7.4201  -0.4883   7.3604   53.223   19.599   40.779   17.774 12.44482 26.45852 
1 1 1  -29    6   44 o   55.854   13.859   8.1054   5.3543   4.4589   7.5684   11.759   7.5759   48.634   19.304   63.074   19.892 -14.43965 27.71877 
1 1 1  -29    6   45 o  101.654   11.032   30.406   5.7689   24.317   8.3805   35.891   7.9532   90.276   17.812  113.033   13.021 -22.75723 22.06395 
1 1 1  -29    6   46 o  153.835   7.6349   65.756   6.3368   67.609   9.2700   64.130   8.6821  155.776   11.013  151.893   10.578 3.883270 15.26989 
1 1 1  -29    6   47 o   59.818   13.355   8.7996   5.6354  -0.1352   7.7694   18.719   8.1862   41.828   18.246   77.808   19.507 -35.98059 26.71001 
1 1 1  -29    6   48 o   48.482   13.740   4.1415   5.6101   7.3056   7.8790   0.8878   7.9899   53.433   20.094   43.530   18.746 9.903015 27.48087 
1 1 1  -29    6   49 o   64.267   13.383   10.591   6.0105   22.975   8.7146  -0.6445   8.3009   86.212   19.199   42.321   18.648 43.89118 26.76514 
1 1 1  -29    6   50 o  112.692   10.437   36.825   6.3535   35.588   8.9461   38.085   9.0249  110.678   14.958  114.706   14.560 -4.027977 20.87460 
1 1 1  -29    6   51 o   96.960   12.269   29.083   6.0979   18.562   8.5476   39.987   8.7020   76.086   20.381  117.834   13.667 -41.74854 24.53862 
1 1 1  -29    6   52 o  134.524   9.1338   52.477   6.6145   48.842   9.5090   55.884   9.2069  129.529   13.586  139.519   12.212 -9.990341 18.26762 
1 1 1  -29    6   53 o   53.154   16.599   2.3160   9.3502   5.9595   13.807  -0.7705   12.708   57.016   24.598   49.292   22.293 7.724735 33.19731 
1 1 1  -29    6   56 o   77.723   15.171   22.032   6.6227   25.101   9.5195   19.152   9.2196   83.577   21.081   71.869   21.822 11.70715 30.34186 
1 1 1  -29    6   57 o   74.778   15.398   20.254   6.6873   23.755   9.4985   16.814   9.4165   81.742   21.292   67.814   22.249 13.92806 30.79521 
1 1 1  -29    6   58 o  156.933   8.6473   73.827   7.3254   78.314   10.616   69.748   10.121  161.566   12.160  152.301   12.298 9.265106 17.29460 
1 1 1  -29    7    1 o  106.705   9.4095   31.721   5.2794   24.672   7.7478   37.831   7.2131   95.277   15.049  118.132   11.300 -22.85527 18.81893 
1 1 1  -29    7    2 o  203.539   5.9150  111.498   6.4830  119.760   9.6745  104.763   8.7343  210.338   8.5118  196.740   8.2157 13.59785 11.82999 
1 1 1  -29    7    3 o  106.362   9.1980   30.322   5.2529   35.198   7.9299   26.510   7.0119  113.891   12.885   98.833   13.129 15.05863 18.39590 
1 1 1  -29    7    4 o  275.882   5.5766  205.418   8.2878  212.704   12.294  199.349   11.220  280.341   8.1159  271.424   7.6502 8.917419 11.15317 
1 1 1  -29    7    5 o   36.546   11.993  -6.6300   5.5544  -5.3319   7.0804  -8.7072   8.9566   35.246   16.205   37.846   17.683 -2.600502 23.98585 
1 1 1  -29    7    6 f  151.969   7.2363   62.648   5.9332   60.781   8.5511   64.382   8.2393  149.769   10.566  154.169   9.8901 -4.400269 14.47256 
1 1 1  -29    7    7 f   60.174   14.385   9.3406   5.5841   5.7117   9.3718   11.338   6.9531   56.372   21.741   63.976   18.842 -7.604340 28.76946 
1 1 1  -29    7    8 o  450.023   8.9248  548.331   21.703   0.0000   0.0000  548.331   21.703  ?   ?   450.023   8.9248      ?      ? 
1 1 1  -29    7    9 o   43.769   12.845   0.4641   5.2069  -3.9888   7.6938   4.2269   7.0726   38.651   17.426   48.887   18.878 -10.23573 25.69099 
1 1 1  -29    7   10 o  325.114   5.6849  286.321   9.9749  280.405   14.379  291.808   13.849  321.858   8.2677  328.370   7.8049 -6.511963 11.36978 
1 1 1  -29    7   11 o  426.704   6.2244  492.751   14.346  474.010   20.073  512.322   20.512  418.406   8.8782  435.002   8.7263 -16.59610 12.44874 
1 1 1  -29    7   12 o  152.204   7.3341   61.648   5.9747   74.379   9.1428   52.160   7.8932  165.679   10.212  138.730   10.529 26.94905 14.66814 
1 1 1  -29    7   13 f  346.125   5.8214  324.616   10.877  314.924   15.580  333.831   15.192  341.062   8.4538  351.187   8.0055 -10.12537 11.64282 
1 1 1  -29    7   14 o  470.893   6.6366  600.629   16.880  601.292   24.240  600.004   23.519  471.128   9.5216  470.658   9.2475 0.4699402 13.27317 
1 1 1  -29    7   15 o   43.804   12.508  -2.9338   5.3985   7.8997   7.8620 -12.5990   7.4260   57.475   20.301   30.132   14.617 27.34331 25.01587 
1 1 1  -29    7   16 o  413.731   7.7463  457.601   15.785  480.405   29.425  448.387   18.704  420.552   12.948  406.910   8.5065 13.64240 15.49264 
1 1 1  -29    7   17 o  379.028   7.5819  386.274   14.172  397.973   26.243  381.458   16.838  382.750   12.689  375.307   8.3028 7.442383 15.16374 
1 1 1  -29    7   18 o  150.665   9.4850   62.546   7.2788   64.277   8.9819   59.234   12.423  153.915   10.799  147.415   15.596 6.499069 18.96998 
1 1 1  -29    7   19 o  135.334   10.169   45.651   7.0969   35.979   8.6160   66.059   12.516  114.970   13.869  155.698   14.876 -40.72796 20.33796 
1 1 1  -29    7   20 o  195.058   6.3774  103.172   6.7008  102.749   9.8644  103.535   9.1309  194.660   9.3779  195.456   8.6452 -0.7957001 12.75479 
1 1 1  -29    7   21 o  130.641   8.2379   45.819   5.7801   52.404   8.7532   40.727   7.6968  138.863   11.665  122.420   11.635 16.44264 16.47581 
1 1 1  -29    7   22 o   96.636   20.961   26.689   10.631   0.0000   0.0000   26.689   10.631  ?   ?    96.636   20.961      ?      ? 
1 1 1  -29    7   23 o   66.804   16.174   11.220   7.1923   14.773   9.8716   7.2004   10.500   73.090   22.652   60.518   23.094 12.57199 32.34874 
1 1 1  -29    7   24 o   73.872   16.017   14.211   7.5759   5.5000   10.671   23.063   10.757   58.225   22.982   89.519   22.316 -31.29409 32.03398 
1 1 1  -29    7   25 o  229.828   7.3224  138.880   8.5919  157.838   15.232  130.035   10.405  240.758   11.708  218.898   8.7967 21.86029 14.64476 
1 1 1  -29    7   26 o   65.101   16.116   7.9544   6.6154   17.948   12.465   4.0358   7.8054   80.303   25.536   49.898   19.668 30.40489 32.23187 
1 1 1  -29    7   27 o   53.708   15.947   0.3922   8.1921  -7.5158   12.471   6.3941   10.865   47.724   21.779   59.692   23.301 -11.96790 31.89450 
1 1 1  -29    7   28 o  244.223   8.4454  160.098   11.013  178.896   17.257  147.185   14.304  256.025   12.474  232.421   11.389 23.60391 16.89090 
1 1 1  -29    7   29 o  229.659   5.9021  143.426   7.3066  139.492   10.625  146.955   10.064  226.622   8.6761  232.696   8.0040 -6.074051 11.80420 
1 1 1  -29    7   30 o  305.564   7.8996  253.494   13.043   0.0000   0.0000  253.494   13.043  ?   ?   305.564   7.8996      ?      ? 
1 1 1  -29    7   31 o  232.242   5.8011  146.615   7.2740  145.554   10.483  147.601   10.101  231.401   8.3839  233.082   8.0200 -1.681427 11.60216 
1 1 1  -29    7   32 o  156.914   7.2772   67.794   6.1015   57.011   8.7137   78.166   8.5462  144.424   11.165  169.403   9.3361 -24.97861 14.55436 
1 1 1  -29    7   33 o  163.080   6.8545   72.374   6.0191   74.133   8.9390   70.914   8.1414  164.837   10.036  161.324   9.3392 3.512970 13.70892 
1 1 1  -29    7   34 o  121.727   8.7574   41.113   5.6770   37.472   8.5519   43.982   7.5907  116.666   13.565  126.788   11.079 -10.12216 17.51480 
1 1 1  -29    7   35 o  210.634   5.9881  121.062   6.7988  117.036   9.8661  124.704   9.3821  207.223   8.8109  214.045   8.1116 -6.822220 11.97624 
1 1 1  -29    7   36 o  137.669   7.9459   52.050   5.8771   45.026   8.1841   59.529   8.4450  127.956   11.837  147.383   10.604 -19.42698 15.89176 
1 1 1  -29    7   37 o   31.832   10.703  -8.8225   5.0534 -11.2556   7.1705  -6.4218   7.1228   29.901   14.471   33.764   15.774 -3.863594 21.40623 
1 1 1  -29    7   38 o  334.949   5.8625  306.022   10.608  295.825   14.865  316.604   15.142  329.240   8.3553  340.659   8.2259 -11.41910 11.72509 
1 1 1  -29    7   39 o  172.831   6.6739   81.627   6.2253   86.164   9.0751   77.595   8.5557  177.348   9.4697  168.314   9.4069 9.034546 13.34785 
1 1 1  -29    7   40 o  215.983   6.1619  128.164   7.1576  121.998   10.485  133.544   9.7946  210.939   9.1990  221.027   8.2008 -10.08736 12.32372 
1 1 1  -29    7   41 o  129.727   8.4621   46.685   5.9233   43.497   8.3120   49.975   8.4433  125.133   12.293  134.321   11.633 -9.187622 16.92412 
1 1 1  -29    7   42 o   78.754   13.015   18.774   5.4607   15.577   8.0501   21.498   7.4321   71.920   19.992   85.588   16.669 -13.66755 26.03002 
1 1 1  -29    7   43 o  171.780   6.8753   81.333   6.3798   83.866   9.1546   78.942   8.8959  174.381   9.7153  169.178   9.7310 5.202866 13.75055 
1 1 1  -29    7   44 o  154.264   7.7799   66.815   6.3892   54.797   9.1388   78.305   8.9359  140.117   12.070  168.411   9.8193 -28.29404 15.55978 
1 1 1  -29    7   45 o  231.462   6.3134  147.606   7.8698  147.544   11.610  147.660   10.705  231.231   9.2914  231.693   8.5501 -0.4620514 12.62674 
1 1 1  -29    7   46 o  151.518   7.9012   64.087   6.4596   64.291   9.3970   63.905   8.8941  151.614   11.470  151.422   10.870 0.1927338 15.80240 
1 1 1  -29    7   47 o   96.557   12.347   27.993   6.2001   28.976   8.9985   27.104   8.5549   98.121   17.619   94.994   17.303 3.127090 24.69497 
1 1 1  -29    7   48 o   83.677   12.651   22.934   6.0176   8.2354   8.9404   35.109   8.1366   56.370   21.358  110.984   13.567 -54.61403 25.30257 
1 1 1  -29    7   49 o  102.655   11.812   31.886   6.1543   42.352   8.7656   21.710   8.6428  121.892   13.308   83.419   19.520 38.47290 23.62479 
1 1 1  -29    7   50 o  175.639   7.3964   86.261   7.0018   90.323   10.359   82.843   9.5009  179.289   10.692  171.989   10.223 7.300613 14.79283 
1 1 1  -29    7   51 o  131.698   9.3285   50.051   6.6111   46.639   9.5382   53.205   9.1716  126.920   13.907  136.476   12.437 -9.556000 18.65702 
1 1 1  -29    7   52 o  128.427   9.6555   48.314   6.6785   47.934   9.8132   48.642   9.1150  127.522   14.241  129.332   13.043 -1.809875 19.31092 
1 1 1  -29    7   55 o   56.332   17.234   8.9809   9.6221   10.534   14.035   7.6036   13.218   58.040   24.917   54.625   23.814 3.414162 34.46725 
1 1 1  -29    7   56 o   63.878   15.584   14.095   6.7008   19.249   9.8200   9.6042   9.1664   72.486   22.614   55.269   21.450 17.21740 31.16844 
1 1 1  -29    7   57 o   56.874   15.434   10.947   6.8179   15.419   9.8404   6.8183   9.4552   63.605   22.686   50.143   20.934 13.46242 30.86856 
1 1 1  -29    8    1 o  103.960   9.4244   29.066   5.2623   31.841   7.9971   26.947   6.9884  108.282   13.667   99.638   12.980 8.644615 18.84873 
1 1 1  -29    8    2 o  487.409   9.3823  643.407   24.711   0.0000   0.0000  643.407   24.711  ?   ?   487.409   9.3823      ?      ? 
1 1 1  -29    8    3 f  265.908   5.6732  191.693   8.1364  184.551   11.729  198.318   11.296  261.109   8.3128  270.707   7.7224 -9.598267 11.34632 
1 1 1  -29    8    4 o  313.605   6.6658  265.925   10.989  264.488   13.987  268.243   17.762  312.586   8.2809  314.624   10.448 -2.037964 13.33151 
1 1 1  -29    8    5 o  259.333   6.5445  184.146   9.0089  194.532   11.888  170.135   13.807  268.082   8.2064  250.584   10.197 17.49817 13.08902 
1 1 1  -29    8    6 o  562.788   9.0498  863.261   26.074  847.973   44.492  871.258   32.179  558.566   14.741  567.009   10.502 -8.442810 18.09951 
1 1 1  -29    8    7 o  201.378   7.0924  112.633   7.3194  100.653   12.135  119.483   9.1767  192.652   11.657  210.104   8.0829 -17.45204 14.18486 
1 1 1  -29    8    8 o  275.685   5.7203  206.244   8.4933  197.987   12.375  213.596   11.678  270.431   8.4685  280.938   7.6923 -10.50693 11.44062 
1 1 1  -29    8    9 o  104.004   10.311   29.345   5.5029   39.922   8.3222   21.127   7.3353  121.282   12.699   86.726   16.249 34.55589 20.62278 
1 1 1  -29    8   10 o  305.259   5.6736  252.546   9.3441  245.214   13.474  259.339   12.969  300.967   8.2850  309.551   7.7535 -8.584595 11.34719 
1 1 1  -29    8   11 o  499.661   6.9040  676.410   18.638  660.520   26.276  692.501   26.441  493.743   9.8485  505.579   9.6783 -11.83630 13.80810 
1 1 1  -29    8   12 o  143.164   7.7429   54.763   5.9306   61.284   9.2106   50.145   7.7511  150.319   11.339  136.009   10.547 14.31017 15.48575 
1 1 1  -29    8   13 o  135.517   8.4064   51.061   6.0009   42.255   9.0281   58.030   8.0320  124.712   13.397  146.321   10.159 -21.60927 16.81277 
1 1 1  -29    8   14 o  274.342   5.7725  203.389   8.5336  208.884   12.615  198.753   11.587  277.734   8.4059  270.950   7.9139 6.783905 11.54504 
1 1 1  -29    8   15 o  304.224   5.7810  250.277   9.4722  254.856   14.031  246.442   12.840  306.753   8.4646  301.696   7.8759 5.057007 11.56197 
1 1 1  -29    8   16 o  193.946   6.3729  102.288   6.6434   97.927   9.7911  106.009   9.0438  190.067   9.5332  197.824   8.4603 -7.756943 12.74588 
1 1 1  -29    8   17 o  165.369   9.8653   74.784   7.6183   73.739   15.209   75.134   8.8021  164.283   17.133  166.454   9.7859 -2.171021 19.73052 
1 1 1  -29    8   18 o  272.555   7.6567  202.958   9.9994  198.829   19.169  204.502   11.720  270.337   13.122  274.773   7.8936 -4.436005 15.31341 
1 1 1  -29    8   19 o  306.291   7.1540  251.368   11.238  244.696   13.777  264.640   19.430  300.487   8.4845  312.095   11.521 -11.60715 14.30805 
1 1 1  -29    8   20 o   63.225   13.292   8.4774   6.8443   21.417   8.4472 -16.2523   11.678   86.769   18.577   39.682   19.015 47.08736 26.58334 
1 1 1  -29    8   21 o   63.125   14.711   6.9891   6.4941  -1.2828   8.3766   19.450   10.281   43.717   19.010   82.532   22.456 -38.81432 29.42152 
1 1 1  -29    8   22 o  633.383   11.659  1097.82   39.892  1074.78   55.586  1122.30   57.284  626.568   16.418  640.198   16.559 -13.63007 23.31822 
1 1 1  -29    8   23 o  386.859   8.5329  407.468   17.835  397.748   25.124  417.342   25.322  382.184   12.165  391.534   11.969 -9.349823 17.06583 
1 1 1  -29    8   24 o  287.974   7.0477  223.652   10.172  229.955   18.289  220.829   12.240  290.584   11.648  285.363   7.9380 5.221222 14.09531 
1 1 1  -29    8   25 o  359.114   5.9465  350.277   11.530  336.612   16.400  363.630   16.212  352.143   8.6187  366.085   8.1953 -13.94177 11.89305 
1 1 1  -29    8   26 o  374.335   8.6235  382.072   17.397  384.009   25.578  380.405   23.732  375.093   12.620  373.578   11.756 1.514893 17.24709 
1 1 1  -29    8   27 o  266.464   8.3071  192.887   11.887  199.482   17.961  187.748   15.856  270.389   12.293  262.539   11.176 7.850433 16.61428 
1 1 1  -29    8   28 o   55.426   14.599   5.2595   6.5764   11.946   8.3958  -5.3559   10.579   65.910   20.957   44.942   20.332 20.96839 29.19887 
1 1 1  -29    8   29 o  130.731   8.2909   47.321   5.7722   41.064   8.5237   52.621   7.8447  122.494   12.877  138.968   10.447 -16.47420 16.58185 
1 1 1  -29    8   30 o   96.638   10.997   26.103   5.4008   37.219   8.0423   16.972   7.2889  116.552   12.769   76.724   17.907 39.82803 21.99399 
1 1 1  -29    8   31 o  158.850   7.0469   68.513   6.0359   74.240   8.8713   63.578   8.2363  165.007   9.9494  152.694   9.9821 12.31248 14.09370 
1 1 1  -29    8   32 o  211.394   6.1772  121.704   7.0501  119.564   10.128  123.717   9.8195  209.551   8.9446  213.236   8.5220 -3.684418 12.35431 
1 1 1  -29    8   33 o   83.428   12.720   20.342   5.5716   16.811   8.0761   23.548   7.6964   75.992   19.554   90.864   16.273 -14.87177 25.43913 
1 1 1  -29    8   34 o   57.854   14.047   8.8087   5.3134   7.3302   8.1389   9.9069   7.0144   55.906   20.536   59.802   19.170 -3.896481 28.09299 
1 1 1  -29    8   35 o   99.378   10.943   27.507   5.4755   41.115   8.3193   17.107   7.2728  122.153   12.604   76.603   17.893 45.55016 21.88649 
1 1 1  -29    8   36 o  214.460   6.1299  124.426   7.0603  135.328   10.730  116.103   9.3757  222.607   8.9205  206.312   8.4099 16.29547 12.25976 
1 1 1  -29    8   37 o   68.529   13.053   12.941   5.4287   22.007   7.9527   5.0301   7.4287   86.967   17.528   50.091   19.346 36.87601 26.10573 
1 1 1  -29    8   38 o  111.881   8.9215   34.776   5.3705   32.134   7.7411   37.227   7.4569  107.618   13.312  116.143   11.882 -8.524918 17.84299 
1 1 1  -29    8   39 o   80.613   12.963   19.088   5.5424   23.205   8.1062   15.474   7.5950   89.053   17.469   72.173   19.156 16.88062 25.92548 
1 1 1  -29    8   40 o  129.067   8.5960   47.461   5.8236   37.115   8.5874   56.271   7.9241  115.200   13.795  142.934   10.260 -27.73407 17.19195 
1 1 1  -29    8   41 o   99.143   11.156   28.513   5.7456   23.755   8.2615   32.969   7.9959   89.759   17.662  108.527   13.634 -18.76819 22.31252 
1 1 1  -29    8   42 o   86.013   12.688   21.994   5.7052   23.957   8.2388   20.184   7.9082   89.917   17.586   82.108   18.292 7.808899 25.37501 
1 1 1  -29    8   43 o   70.442   14.203   15.012   5.6592   15.731   8.3201   14.393   7.7202   71.885   20.447   68.998   19.720 2.887253 28.40668 
1 1 1  -29    8   44 o  142.533   8.3306   56.607   6.4093   60.360   9.2661   53.165   8.8747  147.102   11.657  137.964   11.904 9.137726 16.66125 
1 1 1  -29    8   45 o  111.924   9.8486   35.574   5.9402   35.271   8.6988   35.839   8.1314  111.264   14.468  112.584   13.366 -1.320686 19.69722 
1 1 1  -29    8   46 o  149.447   8.0240   61.938   6.4487   70.479   9.6432   55.029   8.6734  158.729   11.243  140.167   11.451 18.56204 16.04800 
1 1 1  -29    8   47 f  136.156   8.4844   52.151   6.2260   53.459   9.1852   51.039   8.4682  137.563   12.357  134.750   11.630 2.812897 16.96885 
1 1 1  -29    8   48 o   98.997   11.660   28.989   6.0862   28.129   8.8380   29.766   8.3936   96.530   17.592  101.464   15.309 -4.934052 23.32016 
1 1 1  -29    8   49 o   57.158   13.117   6.0337   6.1080  -8.3066   8.7657   19.567   8.5156   35.801   16.962   78.515   20.012 -42.71423 26.23369 
1 1 1  -29    8   50 o  120.017   11.250   43.993   6.6417   60.286   9.4026   27.767   9.3829  145.752   11.938   94.282   19.072 51.47038 22.50055 
1 1 1  -29    8   51 o   55.419   14.774   8.7064   6.1259   6.0831   9.0880   10.891   8.2931   51.680   20.932   59.158   20.855 -7.477867 29.54832 
1 1 1  -29    8   52 o   64.755   17.033   13.755   7.9353   15.250   9.8261   10.953   13.455   67.348   22.744   62.162   25.361 5.186169 34.06512 
1 1 1  -29    8   55 o   78.411   15.809   23.093   7.0257   23.367   9.9542   22.822   9.9176   78.922   22.335   77.900   22.378 1.021797 31.61700 
1 1 1  -29    8   56 o   64.451   15.890   15.104   7.0334   10.721   10.703   18.435   9.3309   57.590   22.926   71.313   22.010 -13.72228 31.78087 
1 1 1  -29    8   57 f   81.084   14.001   24.388   6.8713   12.321   9.8397   35.874   9.5996   57.600   22.260  104.568   16.989 -46.96780 28.00216 
1 1 1  -29    9    1 o  172.328   6.7460   80.495   6.2548   79.982   9.2712   80.923   8.4736  171.802   9.9867  172.854   9.0720 -1.052521 13.49205 
1 1 1  -29    9    2 o  196.823   6.2036  105.398   6.5241  101.366   9.8938  108.500   8.6783  193.440   9.4652  200.205   8.0218 -6.765289 12.40719 
1 1 1  -29    9    3 o  318.943   6.7107  274.266   11.246  270.110   14.269  281.081   18.271  315.862   8.3599  322.023   10.500 -6.161072 13.42144 
1 1 1  -29    9    4 o  325.315   6.7390  284.437   11.532  277.158   14.626  296.396   18.749  319.949   8.4598  330.681   10.492 -10.73203 13.47799 
1 1 1  -29    9    5 o  318.692   6.7262  276.788   10.998  269.820   18.648  280.505   13.619  315.462   10.939  321.922   7.8292 -6.460693 13.45238 
1 1 1  -29    9    6 f  449.426   7.7711  549.804   17.867  540.991   30.549  554.386   22.028  446.416   12.664  452.435   9.0102 -6.019745 15.54217 
1 1 1  -29    9    7 o  380.328   6.0772  391.681   12.476  367.901   17.511  416.196   17.780  368.585   8.7921  392.071   8.3921 -23.48621 12.15432 
1 1 1  -29    9    8 o  114.079   9.3507   36.237   5.6178   29.631   8.4107   41.559   7.5485  104.373   14.913  123.785   11.285 -19.41217 18.70141 
1 1 1  -29    9    9 o  246.468   5.8120  164.182   7.7044  167.336   11.514  161.625   10.367  248.585   8.5714  244.350   7.8518 4.234451 11.62410 
1 1 1  -29    9   10 o  267.018   7.8426  193.011   11.316   0.0000   0.0000  193.011   11.316  ?   ?   267.018   7.8426      ?      ? 
1 1 1  -29    9   11 o  289.323   5.7525  227.191   8.9617  219.282   13.102  234.145   12.285  284.550   8.5208  294.097   7.7304 -9.546936 11.50494 
1 1 1  -29    9   12 o  129.405   8.7010   44.537   6.0210   53.566   9.3115   38.049   7.8931  140.446   12.269  118.364   12.341 22.08127 17.40205 
1 1 1  -29    9   13 o  559.258   7.5033  848.481   22.673  833.508   32.043  863.495   32.086  554.298   10.698  564.218   10.524 -9.919983 15.00663 
1 1 1  -29    9   14 o  585.649   7.7540  930.588   24.523  937.485   35.373  924.206   34.028  587.696   11.139  583.602   10.790 4.094360 15.50804 
1 1 1  -29    9   15 o  227.641   6.1017  141.093   7.4529  133.809   11.047  147.178   10.097  222.178   9.2016  233.104   8.0158 -10.92647 12.20342 
1 1 1  -29    9   16 o  396.396   6.1880  425.568   13.232  430.743   19.336  421.010   18.146  398.629   8.9766  394.163   8.5197 4.465851 12.37601 
1 1 1  -29    9   17 o  335.425   5.9322  305.173   10.726  300.512   15.662  309.290   14.719  332.973   8.7046  337.878   8.0619 -4.904785 11.86442 
1 1 1  -29    9   18 o  127.431   11.987   42.431   6.9964   48.266   14.856   40.768   7.9311  132.410   20.763  122.452   11.986 9.957367 23.97393 
1 1 1  -29    9   19 o  155.423   10.947   68.410   7.6658   61.532   15.714   70.559   8.7817  149.620   19.435  161.227   10.080 -11.60648 21.89390 
1 1 1  -29    9   20 o  262.781   11.861  187.838   16.842  187.838   16.842   0.0000   0.0000  262.781   11.861  ?   ?       ?      ? 
1 1 1  -29    9   21 o  364.002   11.883  360.586   23.374  360.586   23.374   0.0000   0.0000  364.002   11.883  ?   ?       ?      ? 
1 1 1  -29    9   22 o  289.044   7.9957  227.423   12.484  222.523   17.762  232.207   17.549  285.931   11.496  292.156   11.116 -6.225403 15.99144 
1 1 1  -29    9   23 o  359.532   6.1443  348.754   11.849  367.498   18.067  334.606   15.696  367.881   9.0884  351.183   8.2710 16.69760 12.28858 
1 1 1  -29    9   24 o  240.774   6.1308  157.796   7.9388  152.676   11.702  162.161   10.806  237.083   9.1343  244.465   8.1799 -7.381912 12.26157 
1 1 1  -29    9   25 o  292.599   7.4980  233.803   10.660  231.081   20.019  234.881   12.594  290.944   12.734  294.255   7.9208 -3.311127 14.99607 
1 1 1  -29    9   26 o  132.608   12.373   46.114   8.6475   61.959   14.138   36.644   10.930  149.928   17.451  115.288   17.545 34.63981 24.74657 
1 1 1  -29    9   27 o   41.174   13.613 -10.6805   7.6787 -24.9550   13.477  -3.8198   9.3436   39.114   19.132   43.235   19.371 -4.121098 27.22613 
1 1 1  -29    9   28 o  232.996   5.9320  144.506   7.3785  167.217   11.586  129.010   9.5701  248.045   8.6442  217.947   8.1260 30.09811 11.86401 
1 1 1  -29    9   29 o  134.458   8.2745   50.100   5.9283   42.894   8.6759   56.411   8.1194  125.105   12.834  143.812   10.448 -18.70729 16.54895 
1 1 1  -29    9   30 o  183.751   6.7642   91.126   6.6840  102.231   10.050   82.317   8.9507  193.688   9.6021  173.814   9.5298 19.87444 13.52840 
1 1 1  -29    9   31 o   90.660   11.965   24.677   5.5180   16.446   8.4143   30.888   7.3091   75.235   20.250  106.085   12.750 -30.85024 23.92963 
1 1 1  -29    9   32 o   58.159   12.836   7.1550   5.1973   16.930   7.7446  -0.8546   7.0103   76.317   18.883   40.001   17.392 36.31614 25.67180 
1 1 1  -29    9   33 o  163.382   7.0382   72.685   6.2009   76.353   9.1342   69.550   8.4451  167.164   10.112  159.599   9.7924 7.565414 14.07642 
1 1 1  -29    9   34 o   58.214   12.699   6.2674   5.3348   18.364   8.0570  -3.1762   7.1188   79.171   19.062   37.257   16.783 41.91323 25.39706 
1 1 1  -29    9   35 o  119.207   9.0562   39.124   5.7486   39.935   8.9594   38.557   7.4947  120.043   13.812  118.371   11.717 1.672104 18.11240 
1 1 1  -29    9   36 o  138.003   8.1578   51.932   6.0201   55.752   9.3291   49.206   7.8806  142.173   12.143  133.833   10.897 8.339890 16.31569 
1 1 1  -29    9   37 o   45.922   13.005   2.0175   5.3082  -4.2841   7.9251   7.1445   7.1485   38.260   17.422   53.584   19.312 -15.32438 26.00901 
1 1 1  -29    9   38 f  209.607   6.1909  119.657   6.9850  126.358   10.443  114.233   9.3959  214.818   8.9967  204.395   8.5071 10.42296 12.38188 
1 1 1  -29    9   39 o  154.648   7.4013   66.125   6.1519   63.500   9.0707   68.361   8.3716  151.616   11.071  157.680   9.8253 -6.063507 14.80251 
1 1 1  -29    9   40 o   59.508   14.196   9.8400   5.4063   10.988   7.9641   8.8592   7.3626   62.011   20.467   57.006   19.678 5.004154 28.39186 
1 1 1  -29    9   41 o  199.939   6.5700  109.899   7.0646  110.715   10.530  109.231   9.5269  200.445   9.7216  199.434   8.8403 1.010895 13.13999 
1 1 1  -29    9   42 o  160.135   7.4538   71.289   6.4205   66.537   9.3154   75.590   8.8614  154.805   11.136  165.464   9.9109 -10.65860 14.90755 
1 1 1  -29    9   43 o  145.443   8.2511   59.875   6.3459   46.733   9.0660   72.499   8.8857  129.006   13.005  161.879   10.158 -32.87291 16.50216 
1 1 1  -29    9   44 o   32.831   11.142 -10.4305   5.6255  -7.9067   8.5401 -12.3651   7.4768   35.993   16.959   29.669   14.455 6.323858 22.28315 
1 1 1  -29    9   45 f   87.021   12.639   23.967   5.7302   16.204   8.8660   29.536   7.5093   72.045   21.293  101.998   13.625 -29.95338 25.27857 
1 1 1  -29    9   46 o  138.144   8.6651   52.913   6.4090   63.583   9.7883   44.905   8.4794  150.218   12.059  126.071   12.447 24.14758 17.33018 
1 1 1  -29    9   47 o   47.277   13.777   3.0380   5.7415   5.9001   8.4147   0.5448   7.8536   51.782   20.418   42.771   18.502 9.011803 27.55359 
1 1 1  -29    9   48 o   56.281   14.239   8.4415   5.8834   2.5423   8.7116   13.388   7.9775   47.067   19.898   65.495   20.374 -18.42831 28.47830 
1 1 1  -29    9   49 o   65.080   14.730   12.639   6.0970   19.053   9.1006   7.4147   8.2125   76.688   21.235   53.472   20.419 23.21625 29.45962 
1 1 1  -29    9   50 o   57.454   13.911   8.2945   6.1177  -1.7441   8.8770   17.375   8.4428   41.759   18.783   73.150   20.524 -31.39015 27.82118 
1 1 1  -29    9   51 o  132.139   9.9541   52.143   6.9606   42.559   10.103   60.804   9.6037  119.076   15.701  145.202   12.240 -26.12636 19.90823 
1 1 1  -29    9   54 f   58.114   16.201   10.783   8.3634   18.791   10.962  -0.3730   12.937   69.055   24.001   47.173   21.768 21.88255 32.40167 
1 1 1  -29    9   55 o   45.100   14.133   0.9519   6.8841   4.7735   10.105  -2.3578   9.4040   49.443   21.183   40.758   18.716 8.684975 28.26674 
1 1 1  -29    9   56 o   91.678   14.686   30.187   7.1133   28.083   10.227   32.159   9.9005   87.248   21.764   96.108   19.725 -8.859497 29.37279 
1 1 1  -29   10    1 o  315.702   5.7492  269.950   9.7850  268.995   14.322  270.785   13.400  315.154   8.4099  316.250   7.8413 -1.096161 11.49835 
1 1 1  -29   10    2 o  181.900   9.8462   89.688   9.6781   89.688   9.6781   0.0000   0.0000  181.900   9.8462  ?   ?       ?      ? 
1 1 1  -29   10    3 o  183.555   7.2297   91.326   7.1417   91.099   9.6677   91.599   10.596  183.332   9.7588  183.778   10.670 -0.4457092 14.45939 
1 1 1  -29   10    4 o  422.729   6.3705  484.204   14.529  482.696   21.132  485.555   20.009  422.072   9.2653  423.387   8.7456 -1.314301 12.74097 
1 1 1  -29   10    5 o  227.728   6.9435  138.038   7.9839  147.635   14.292  133.685   9.6258  233.255   11.339  222.201   8.0169 11.05464 13.88703 
1 1 1  -29   10    6 o  267.673   5.7896  193.797   8.3318  196.228   12.459  191.832   11.206  269.161   8.5663  266.186   7.7907 2.974884 11.57915 
1 1 1  -29   10    7 o  377.678   8.3706  386.322   17.083   0.0000   0.0000  386.322   17.083  ?   ?   377.678   8.3706      ?      ? 
1 1 1  -29   10    8 f   61.392   12.561   9.1508   5.4830  -3.2291   8.2733   18.847   7.3219   41.184   18.356   81.601   17.150 -40.41602 25.12107 
1 1 1  -29   10    9 o  223.378   6.0739  135.846   7.2730  129.177   10.841  141.305   9.8079  218.325   9.1889  228.431   7.9457 -10.10638 12.14785 
1 1 1  -29   10   10 o  152.535   7.6153   61.641   6.1954   77.231   9.5845   50.452   8.1197  168.726   10.512  136.344   11.021 32.38158 15.23056 
1 1 1  -29   10   11 o  357.155   5.9988  345.957   11.565  334.599   16.565  356.757   16.153  351.403   8.7234  362.908   8.2369 -11.50552 11.99769 
1 1 1  -29   10   12 o   73.314   13.346   13.853   5.4712   23.321   8.7891   7.8622   6.9909   90.690   18.560   55.938   19.182 34.75223 26.69146 
1 1 1  -29   10   13 o  427.582   6.4192  495.510   14.804  497.475   21.620  493.774   20.314  428.339   9.3407  426.826   8.8077 1.512390 12.83841 
1 1 1  -29   10   14 o  181.859   6.8174   89.268   6.6444   92.995   10.151   86.474   8.7884  185.126   10.148  178.592   9.1066 6.533646 13.63483 
1 1 1  -29   10   15 o  280.708   5.9066  211.214   8.8794  230.417   13.700  197.303   11.660  291.556   8.6956  269.861   7.9961 21.69513 11.81317 
1 1 1  -29   10   16 o  379.436   6.1504  390.681   12.595  381.021   18.130  399.690   17.509  374.862   8.9506  384.012   8.4377 -9.149963 12.30070 
1 1 1  -29   10   17 o  277.620   5.9468  208.757   8.8864  210.742   13.189  207.106   12.026  278.790   8.7551  276.450   8.0501 2.339813 11.89351 
1 1 1  -29   10   18 o   40.605   13.138  -6.7406   6.4972  -9.7110   8.8435  -3.2568   9.5773   36.550   17.232   44.661   19.837 -8.110943 26.27664 
1 1 1  -29   10   19 o  179.517   12.713   87.793   12.332   0.0000   0.0000   87.793   12.332  ?   ?   179.517   12.713      ?      ? 
1 1 1  -29   10   20 o   54.894   22.347   3.5270   10.419   0.0000   0.0000   3.5270   10.419  ?   ?    54.894   22.347      ?      ? 
1 1 1  -29   10   21 o  157.192   11.089   69.145   9.1730   85.203   12.807   52.230   13.145  176.630   13.418  137.754   17.659 38.87596 22.17836 
1 1 1  -29   10   22 o  287.646   7.2836  224.339   10.901  222.425   13.655  227.703   18.100  286.215   8.8288  289.078   11.587 -2.862579 14.56723 
1 1 1  -29   10   23 o  216.304   6.3154  125.973   7.3065  134.397   11.304  119.927   9.5759  222.402   9.4056  210.205   8.4304 12.19684 12.63084 
1 1 1  -29   10   24 o   41.712   12.787  -1.8745   5.5825  -8.2004   8.7075   2.5402   7.2742   37.314   17.435   46.109   18.709 -8.794422 25.57400 
1 1 1  -29   10   25 o  141.671   12.940   57.750   9.3023   47.905   15.308   63.514   11.713  131.075   21.613  152.268   14.235 -21.19316 25.88000 
1 1 1  -29   10   26 o  125.882   13.819   46.549   8.6539   37.568   13.836   52.320   11.091  113.744   23.295  138.021   14.871 -24.27674 27.63706 
1 1 1  -29   10   27 o   62.447   15.703   9.0275   6.6536   6.0967   8.6773   13.209   10.365   54.978   20.990   69.917   23.361 -14.93840 31.40550 
1 1 1  -29   10   28 o  107.928   9.8633   31.412   5.6966   36.952   8.8168   27.442   7.4636  115.925   14.075   99.931   13.822 15.99425 19.72668 
1 1 1  -29   10   29 o   44.997   13.276   1.5031   5.3529  -1.4960   8.7515   3.2957   6.7661   44.072   19.291   45.922   18.244 -1.850189 26.55180 
1 1 1  -29   10   30 o  213.460   6.2624  123.017   7.1646  131.935   10.991  116.428   9.4477  220.058   9.2433  206.862   8.4519 13.19569 12.52488 
1 1 1  -29   10   31 o  170.258   7.1393   78.700   6.5026   82.201   10.014   76.148   8.5504  173.406   10.687  167.109   9.4688 6.296844 14.27862 
1 1 1  -29   10   32 o  191.909   6.6924  101.728   6.8466   90.600   10.186  110.901   9.2474  182.030   10.355  201.788   8.4808 -19.75859 13.38473 
1 1 1  -29   10   33 f   79.195   13.435   18.131   5.7076   22.618   8.4667   14.393   7.7273   88.158   18.369   70.232   19.610 17.92535 26.86986 
1 1 1  -29   10   34 o   64.089   13.360   12.053   5.3300   5.1676   8.3135   16.859   6.9451   52.125   20.372   76.054   17.291 -23.92896 26.72079 
1 1 1  -29   10   35 o   95.743   11.506   26.354   5.7197   24.095   8.6459   28.112   7.6272   90.875   18.241  100.611   14.029 -9.736534 23.01180 
1 1 1  -29   10   36 o  126.751   8.8770   44.795   5.9853   42.115   9.1452   46.802   7.9162  123.117   13.746  130.385   11.236 -7.268188 17.75395 
1 1 1  -29   10   37 o  164.274   7.2814   73.878   6.4413   77.820   9.5987   70.648   8.6880  168.170   10.563  160.378   10.025 7.792297 14.56272 
1 1 1  -29   10   38 o  123.200   8.8826   42.077   5.8492   42.943   8.9905   41.442   7.7022  124.055   13.412  122.345   11.650 1.710114 17.76517 
1 1 1  -29   10   39 o  179.402   7.0351   88.235   6.7748   91.615   10.263   85.624   9.0195  182.275   10.419  176.529   9.4554 5.746094 14.07011 
1 1 1  -29   10   40 o  122.916   9.3090   41.140   6.0763   53.653   9.4295   32.254   7.9460  138.652   12.586  107.180   13.720 31.47167 18.61796 
1 1 1  -29   10   41 o   90.843   12.680   24.798   5.9844   21.371   9.2279   27.284   7.8618   83.563   20.573   98.122   14.828 -14.55861 25.35989 
1 1 1  -29   10   42 o   57.991   14.533   9.1964   5.7113   8.3765   8.3064   9.9316   7.8657   56.706   20.758   59.276   20.346 -2.569973 29.06668 
1 1 1  -29   10   43 o   50.596   13.059   0.7718   5.5570   14.909   8.7998  -8.6051   7.1667   69.690   21.352   31.501   15.041 38.18885 26.11818 
1 1 1  -29   10   44 f   77.230   13.277   19.124   5.8624   10.386   9.1636   25.179   7.6277   60.748   21.868   93.712   15.063 -32.96406 26.55353 
1 1 1  -29   10   45 o  117.891   10.142   40.279   6.3627   35.726   9.4684   44.028   8.5918  111.041   15.780  124.741   12.746 -13.70008 20.28495 
1 1 1  -29   10   46 o   83.878   12.895   20.188   5.8402   30.952   9.2141   12.960   7.5506  102.899   16.571   64.858   19.761 38.04079 25.78954 
1 1 1  -29   10   47 o   50.087   20.523   4.4127   8.8598   4.4127   8.8598   0.0000   0.0000   50.087   20.523  ?   ?       ?      ? 
1 1 1  -29   10   48 o  192.525   7.2132  103.776   7.4609  103.810   11.156  103.748   10.035  192.187   10.742  192.864   9.6292 -0.6770172 14.42642 
1 1 1  -29   10   49 o   68.504   15.139   15.222   6.2489   13.590   9.3674   16.531   8.3881   65.389   22.206   71.619   20.582 -6.230705 30.27730 
1 1 1  -29   10   50 o  123.915   10.200   44.859   6.6321   60.224   9.8830   32.269   8.9455  144.249   12.679  103.581   15.982 40.66817 20.40071 
1 1 1  -29   10   51 f   85.957   17.936   23.677   9.6138   43.491   15.349   10.885   12.332  110.389   26.136   61.524   24.572 48.86499 35.87289 
1 1 1  -29   10   53 o   62.379   25.828   13.214   14.225   0.0000   0.0000   13.214   14.225  ?   ?    62.379   25.828      ?      ? 
1 1 1  -29   10   54 o   49.528   14.868   5.2449   6.9094   8.0885   10.367   2.9723   9.2678   53.336   22.064   45.720   19.936 7.615433 29.73661 
1 1 1  -29   10   55 o   53.013   15.204   7.8195   6.8455   11.626   10.129   4.6193   9.2877   58.261   22.565   47.766   20.382 10.49498 30.40726 
1 1 1  -29   10   56 o   44.760   14.042   2.3924   6.7875   5.6653   9.9760  -0.4286   9.2617   48.486   20.914   41.033   18.742 7.452950 28.08307 
1 1 1  -29   11    1 o  188.775   6.5767   96.522   6.6538   97.330   10.094   95.901   8.8482  189.433   9.8611  188.117   8.7044 1.315552 13.15331 
1 1 1  -29   11    2 f  336.164   6.8806  303.217   12.136  293.408   15.308  319.820   19.914  329.058   8.6089  343.271   10.736 -14.21356 13.76129 
1 1 1  -29   11    3 o  366.876   6.1339  365.294   12.142  347.576   17.347  382.308   16.999  358.105   8.9647  375.646   8.3746 -17.54135 12.26781 
1 1 1  -29   11    4 f  612.382   9.7433  1029.12   30.732  992.568   51.508  1049.33   38.294  603.153   15.804  621.611   11.401 -18.45831 19.48669 
1 1 1  -29   11    5 o  206.115   6.4441  114.699   7.1035  118.298   10.928  112.065   9.3480  208.861   9.6824  203.369   8.5064 5.491302 12.88824 
1 1 1  -29   11    6 o  425.251   6.4204  490.396   14.734  486.184   21.345  494.228   20.363  423.468   9.3281  427.034   8.8244 -3.566376 12.84072 
1 1 1  -29   11    7 o   52.085   14.035   5.1064   5.4295   6.3215   8.3517   4.2170   7.1455   55.248   20.705   48.922   18.951 6.325981 28.06905 
1 1 1  -29   11    8 o  250.050   5.9339  169.476   7.9783  168.815   11.875  170.020   10.771  249.568   8.8056  250.531   7.9566 -0.9622650 11.86787 
1 1 1  -29   11    9 o  184.334   6.8730   93.076   6.7564   85.507   10.165   99.068   9.0434  177.486   10.598  191.183   8.7537 -13.69733 13.74606 
1 1 1  -29   11   10 o  402.231   6.3436  439.116   13.771  424.521   19.751  452.923   19.210  395.678   9.2377  408.783   8.6965 -13.10513 12.68715 
1 1 1  -29   11   11 o  237.103   6.1631  153.463   7.8380  140.017   11.462  165.272   10.742  227.222   9.3353  246.984   8.0489 -19.76144 12.32611 
1 1 1  -29   11   12 o  209.690   6.3689  117.655   7.1568  131.418   11.022  107.623   9.4103  220.131   9.2663  199.250   8.7401 20.88155 12.73786 
1 1 1  -29   11   13 o  242.086   6.1372  156.872   7.9324  171.480   12.404  146.764   10.318  251.457   9.1289  232.715   8.2050 18.74254 12.27433 
1 1 1  -29   11   14 o  153.884   7.6682   63.595   6.3295   70.355   9.6957   58.574   8.3556  160.905   11.151  146.863   10.529 14.04247 15.33645 
1 1 1  -29   11   15 f  132.709   8.8620   48.564   6.1481   45.342   9.8657   50.609   7.8613  128.926   14.161  136.491   10.659 -7.564301 17.72410 
1 1 1  -29   11   16 o  290.880   6.9972  226.374   10.792  213.445   13.814  246.622   17.288  280.486   9.1145  301.274   10.619 -20.78812 13.99436 
1 1 1  -29   11   17 o  107.271   13.314   32.012   7.4819   33.288   11.443   31.059   9.8885  108.157   20.325  106.385   17.201 1.771645 26.62704 
1 1 1  -29   11   18 o  331.410   8.1808  299.200   14.640  288.063   20.799  310.135   20.610  325.236   11.834  337.584   11.298 -12.34793 16.36162 
1 1 1  -29   11   19 o  152.647   10.977   66.886   8.5823   44.932   12.578   86.013   11.740  127.676   18.231  177.619   12.232 -49.94298 21.95399 
1 1 1  -29   11   20 o  262.880   8.5877  197.523   10.168  171.869   20.668  205.715   11.679  250.365   15.277  275.395   7.8484 -25.02977 17.17538 
1 1 1  -29   11   21 o   74.217   13.835   16.428   5.8055   10.054   9.1492   20.724   7.5115   63.057   21.926   85.377   16.880 -22.32018 27.67089 
1 1 1  -29   11   22 o   89.883   14.639   24.413   7.0769   29.807   8.9994   15.671   11.456  104.178   15.986   75.588   24.527 28.59024 29.27723 
1 1 1  -29   11   23 o  242.157   6.1290  159.877   7.9725  152.442   11.771  166.178   10.836  236.858   9.1971  247.456   8.1039 -10.59793 12.25802 
1 1 1  -29   11   24 o  324.249   7.7637  295.071   12.360  265.540   22.232  308.281   14.869  311.527   13.207  336.971   8.1660 -25.44385 15.52731 
1 1 1  -29   11   25 f  139.576   12.847   50.781   9.3908   71.802   15.560   38.739   11.777  160.992   17.887  118.159   18.446 42.83237 25.69386 
1 1 1  -29   11   26 o  340.189   8.8636  315.295   16.079  326.802   25.028  307.207   20.983  345.114   13.420  335.264   11.582 9.850555 17.72718 
1 1 1  -29   11   27 o  291.056   5.9946  230.208   9.3529  231.880   14.171  228.919   12.450  291.873   8.9848  290.238   7.9382 1.634338 11.98923 
1 1 1  -29   11   28 o  191.982   6.5118   99.908   6.6996  104.043   10.236   96.808   8.8614  195.356   9.6962  188.607   8.6947 6.749023 13.02364 
1 1 1  -29   11   29 o  107.062   10.587   30.470   5.8136   43.155   9.3727   22.538   7.4117  125.187   13.855   88.938   16.011 36.24837 21.17350 
1 1 1  -29   11   30 o   95.541   10.944   25.079   5.6147   27.089   8.5377   23.548   7.4530   98.806   15.991   92.275   14.947 6.530556 21.88889 
1 1 1  -29   11   31 o  170.706   7.2197   78.507   6.6085   89.990   10.130   69.998   8.7197  181.389   10.335  160.023   10.084 21.36607 14.43934 
1 1 1  -29   11   32 o  233.532   6.2487  148.584   7.8197  150.697   11.884  146.970   10.384  234.852   9.3648  232.212   8.2755 2.639404 12.49733 
1 1 1  -29   11   33 o  245.284   6.1392  164.295   8.0682  163.672   12.215  164.777   10.746  244.706   9.2375  245.861   8.0885 -1.154556 12.27831 
1 1 1  -29   11   34 o   53.390   14.195   6.2418   5.6696   3.2868   8.4473   8.6642   7.6483   49.329   20.106   57.450   20.043 -8.120453 28.38996 
1 1 1  -29   11   35 o  197.073   6.6970  106.888   7.0387  102.826   10.743  109.944   9.3168  193.542   10.273  200.604   8.5949 -7.061401 13.39397 
1 1 1  -29   11   36 o  175.840   6.9510   83.497   6.5051   92.756   10.315   77.383   8.3822  183.635   10.395  168.044   9.2310 15.59091 13.90196 
1 1 1  -29   11   37 o   82.667   13.515   20.903   5.9088   16.875   9.0938   23.846   7.7733   74.833   21.408   90.500   16.503 -15.66645 27.03059 
1 1 1  -29   11   38 o   98.459   11.395   27.834   5.8182   27.829   9.0709   27.837   7.5836   97.276   17.917   99.641   14.085 -2.365837 22.79030 
1 1 1  -29   11   39 o  173.686   7.1734   82.825   6.6641   86.207   10.260   80.357   8.7644  176.510   10.757  170.862   9.4926 5.648056 14.34688 
1 1 1  -29   11   40 f  303.934   6.2114  254.212   10.186  242.832   14.559  265.124   14.257  297.092   9.0691  310.775   8.4898 -13.68195 12.42274 
1 1 1  -29   11   41 o  115.623   10.119   38.399   6.1946   33.908   9.3739   41.881   8.2538  108.908   15.928  122.339   12.485 -13.43069 20.23847 
1 1 1  -29   11   42 o  245.326   6.2584  166.143   8.2594  161.553   12.169  170.064   11.246  241.928   9.3087  248.724   8.3678 -6.796082 12.51684 
1 1 1  -29   11   43 o   95.325   12.465   27.090   6.1498   28.582   9.2845   25.924   8.2089   97.343   18.323   93.308   16.903 4.035301 24.92917 
1 1 1  -29   11   44 o   48.319   14.049   3.6598   5.9270   1.6201   8.9921   5.2268   7.8814   46.745   20.003   49.893   19.732 -3.147343 28.09796 
1 1 1  -29   11   45 o  135.736   8.8377   52.202   6.4437   51.094   9.5800   53.118   8.7078  134.055   13.225  137.417   11.727 -3.362183 17.67540 
1 1 1  -29   11   46 o  132.031   9.1819   49.671   6.4558   48.515   9.9283   50.518   8.4974  130.107   14.122  133.955   11.739 -3.848877 18.36389 
1 1 1  -29   11   47 o   48.249   14.282   2.7943   6.2786   6.5028   9.4636  -0.1213   8.3913   53.699   21.497   42.799   18.808 10.90033 28.56303 
1 1 1  -29   11   48 o  142.993   8.7776   58.203   6.7384   58.976   10.139   57.592   9.0186  143.430   13.081  142.556   11.707 0.8741150 17.55518 
1 1 1  -29   11   49 o   67.927   13.704   15.520   6.1338   4.1282   9.6051   23.364   7.9707   49.614   20.929   86.240   17.697 -36.62612 27.40847 
1 1 1  -29   11   50 o   58.721   15.231   4.1209   7.5321  -8.7725   9.7932   22.793   11.785   37.372   17.771   80.070   24.740 -42.69793 30.46106 
1 1 1  -29   11   53 o   57.572   15.680   10.955   7.3335   4.1564   10.534   17.348   10.216   48.193   21.128   66.950   23.175 -18.75670 31.36028 
1 1 1  -29   11   54 o  123.112   11.396   47.703   7.4301   42.127   11.114   52.209   9.9911  114.575   17.951  131.650   14.044 -17.07526 22.79215 
1 1 1  -29   11   55 o   59.205   15.705   13.192   6.7799   13.255   10.180   13.142   9.0889   59.139   22.698   59.271   21.712 -0.1322670 31.41011 
1 1 1  -29   12    1 o  335.402   6.9021  303.790   12.240  298.394   15.697  312.162   19.552  331.759   8.7559  339.046   10.672 -7.286255 13.80420 
1 1 1  -29   12    2 o  132.940   9.2305   47.781   6.5950   41.348   8.9613   55.383   9.7411  123.213   13.459  142.667   12.636 -19.45383 18.46109 
1 1 1  -29   12    3 o   43.590   13.524  -1.7054   5.8599  -1.9367   9.9096  -1.5811   7.2664   47.022   20.556   40.158   17.578 6.864182 27.04715 
1 1 1  -29   12    4 o  234.770   6.9565  150.029   8.4112  147.973   14.189  151.143   10.444  233.371   11.251  236.168   8.1840 -2.797058 13.91303 
1 1 1  -29   12    5 o  326.721   6.0702  290.462   10.675  270.126   15.408  309.240   14.805  315.622   9.0339  337.819   8.1103 -22.19705 12.14036 
1 1 1  -29   12    6 o  155.351   7.8268   66.552   6.4658   58.004   9.6275   73.575   8.7268  146.036   12.200  164.665   9.8077 -18.62918 15.65353 
1 1 1  -29   12    8 o  287.379   6.0030  224.609   9.2836  213.901   13.558  234.060   12.738  280.859   8.9337  293.899   8.0208 -13.04010 12.00594 
1 1 1  -29   12    9 o  167.033   7.4210   76.761   6.5786   69.593   10.019   82.193   8.7222  159.995   11.589  174.070   9.2729 -14.07518 14.84209 
1 1 1  -29   12   10 o  297.290   6.0549  240.705   9.6822  222.156   13.996  257.730   13.409  286.195   9.0499  308.384   8.0465 -22.18860 12.10976 
1 1 1  -29   12   11 o  186.629   6.9769   94.110   6.9484   97.275   10.784   91.863   9.0856  189.238   10.546  184.021   9.1369 5.217651 13.95373 
1 1 1  -29   12   12 o  398.734   6.3264  431.776   13.596  423.607   19.846  439.001   18.664  395.113   9.2953  402.355   8.5843 -7.241669 12.65278 
1 1 1  -29   12   13 o   52.110   14.168   3.8955   5.6825   9.0221   8.9656   0.4532   7.3466   61.059   21.667   43.162   18.261 17.89650 28.33599 
1 1 1  -29   12   14 o   55.774   14.844   4.4309   6.5822   12.019   9.5229  -2.5113   9.1083   67.363   22.387   44.185   19.499 23.17786 29.68810 
1 1 1  -29   12   15 f  288.996   7.8962  227.233   12.285  227.477   18.175  227.027   16.670  289.052   11.636  288.940   10.677 0.1117249 15.79232 
1 1 1  -29   12   16 o  314.127   8.0646  268.639   13.646  269.369   20.126  268.018   18.564  314.426   11.845  313.828   10.947 0.5977783 16.12910 
1 1 1  -29   12   17 o   56.368   15.752   5.2167   7.0304   4.6306   10.927   5.6306   9.1836   57.330   23.047   55.406   21.479 1.924126 31.50378 
1 1 1  -29   12   18 o  129.081   10.621   41.869   6.9440   57.027   12.836   35.598   8.2564  144.031   16.493  114.131   13.388 29.90013 21.24224 
1 1 1  -29   12   19 o  419.261   8.7743  477.269   19.879   0.0000   0.0000  477.269   19.879  ?   ?   419.261   8.7743      ?      ? 
1 1 1  -29   12   20 o  388.159   6.3154  409.707   13.208  401.799   19.320  416.647   18.099  384.554   9.2973  391.764   8.5496 -7.210083 12.63070 
1 1 1  -29   12   21 o  129.342   14.146   48.746   7.2681   44.662   16.855   49.679   8.0556  123.642   26.049  135.041   11.039 -11.39825 28.29164 
1 1 1  -29   12   22 o  170.501   7.4339   78.947   6.7487   80.515   10.525   77.853   8.7944  171.822   11.336  169.179   9.6199 2.643509 14.86775 
1 1 1  -29   12   23 o   54.564   16.750  -1.8940   8.8081   3.3739   14.848  -4.7545   10.941   62.799   26.226   46.329   20.844 16.47007 33.50050 
1 1 1  -29   12   24 o  224.439   9.3169  133.590   11.002  157.905   18.240  119.685   13.794  239.732   14.080  209.145   12.205 30.58743 18.63375 
1 1 1  -29   12   25 o  209.736   9.8771  115.129   10.641  139.842   18.818  103.513   12.901  225.066   15.473  194.406   12.281 30.66016 19.75423 
1 1 1  -29   12   26 o  126.138   9.1259   43.005   6.1492   47.990   9.6140   39.554   7.9995  132.143   13.464  120.132   12.323 12.01124 18.25184 
1 1 1  -29   12   27 o   84.207   20.029   20.667   8.9810   20.667   8.9810   0.0000   0.0000   84.207   20.029  ?   ?       ?      ? 
1 1 1  -29   12   28 o  180.726   7.0867   90.425   6.7695   82.222   10.450   96.356   8.8863  173.342   11.156  188.110   8.7422 -14.76813 14.17338 
1 1 1  -29   12   29 o   81.552   13.372   19.260   5.7032   19.949   8.9500   18.788   7.4002   82.517   20.228   80.586   17.496 1.931267 26.74475 
1 1 1  -29   12   30 o  301.770   5.9606  247.615   9.6545  252.833   14.585  243.547   12.880  304.455   8.8655  299.084   7.9697 5.371796 11.92111 
1 1 1  -29   12   31 o   77.677   12.783   18.398   5.4666   10.971   8.5325   23.569   7.1197   63.192   21.195   92.163   14.296 -28.97017 25.56533 
1 1 1  -29   12   32 o   51.209   14.206   4.9066   5.7242   2.8042   9.0884   6.2890   7.3696   50.052   20.678   52.366   19.484 -2.313824 28.41164 
1 1 1  -29   12   33 o  118.161   9.5786   38.435   6.0014   40.234   9.5340   37.255   7.7236  120.165   14.683  116.156   12.305 4.009270 19.15727 
1 1 1  -29   12   34 o  132.976   8.6725   48.427   6.1920   52.956   9.4270   44.991   8.2119  138.305   12.614  127.647   11.905 10.65737 17.34491 
1 1 1  -29   12   35 o   73.899   13.241   14.493   5.7027   27.099   9.0104   6.0689   7.3657   96.179   17.999   51.619   19.425 44.56011 26.48188 
1 1 1  -29   12   36 o  100.486   11.847   30.290   6.0022   23.307   9.2173   35.432   7.9090   88.196   19.823  112.776   12.978 -24.58003 23.69351 
1 1 1  -29   12   37 o  130.639   8.7025   47.834   6.0473   44.986   9.2391   49.969   7.9987  126.841   13.480  134.438   11.011 -7.596588 17.40506 
1 1 1  -29   12   38 o  113.815   9.9869   36.168   6.0580   38.299   9.4801   34.698   7.8759  116.300   15.085  111.329   13.092 4.971603 19.97386 
1 1 1  -29   12   39 o  104.891   11.600   30.850   6.1450   46.644   9.5774   19.799   8.0114  128.704   13.771   81.079   18.671 47.62504 23.20046 
1 1 1  -29   12   40 o  163.107   7.7753   75.686   6.6730   61.759   9.9737   86.973   8.9787  148.576   12.423  177.638   9.3538 -29.06262 15.55058 
1 1 1  -29   12   41 f  162.054   8.1721   75.487   6.9217   61.110   10.509   86.503   9.1989  147.214   13.211  176.894   9.6235 -29.68080 16.34416 
1 1 1  -29   12   42 o  141.308   13.844   56.722   10.571   56.722   10.571   0.0000   0.0000  141.308   13.844  ?   ?       ?      ? 
1 1 1  -29   12   43 o  217.978   6.7482  131.299   7.8655  134.801   12.087  128.727   10.359  220.118   10.162  215.838   8.8816 4.279770 13.49630 
1 1 1  -29   12   44 o   71.633   15.029   15.883   6.1118   17.737   9.8774   14.733   7.7801   74.461   22.583   68.805   19.836 5.656784 30.05738 
1 1 1  -29   12   45 o  122.767   10.422   44.742   6.6602   34.875   9.9893   52.639   8.9363  108.957   16.966  136.577   12.108 -27.62030 20.84412 
1 1 1  -29   12   46 o  115.423   10.244   38.522   6.3321   39.055   9.6302   38.115   8.4044  115.614   15.415  115.231   13.497 0.3832169 20.48885 
1 1 1  -29   12   47 o   46.857   14.102   1.6914   6.2545   5.7456   9.6239  -1.2729   8.2293   52.707   21.469   41.007   18.290 11.70016 28.20391 
1 1 1  -29   12   48 o   88.627   13.921   25.687   6.4709   22.671   9.7786   28.036   8.6310   82.290   21.686   94.963   17.463 -12.67336 27.84293 
1 1 1  -29   12   49 o  165.333   10.544   76.404   9.1397   61.350   11.391  103.604   15.312  144.067   14.633  186.600   15.186 -42.53294 21.08858 
1 1 1  -29   12   52 o   51.272   15.835  -1.9717   9.0011 -16.4631   11.668   19.329   14.146   35.251   17.354   67.293   26.492 -32.04194 31.67033 
1 1 1  -29   12   53 o   60.934   15.357   12.578   6.9749   4.6821   10.642   18.523   9.2347   50.025   21.589   71.844   21.846 -21.81827 30.71387 
1 1 1  -29   12   54 o   42.994   13.712   0.1201   6.7429   4.5087   10.149  -3.3483   9.0222   47.759   20.843   38.230   17.824 9.528419 27.42475 
1 1 1  -29   13    1 o  324.785   6.9325  287.334   12.042  293.189   16.021  279.730   18.258  328.724   9.0190  320.846   10.531 7.878632 13.86506 
1 1 1  -29   13    2 o  300.445   6.8370  240.292   10.464  259.234   18.443  231.299   12.707  308.787   11.053  292.103   8.0507 16.68417 13.67407 
1 1 1  -29   13    3 o  124.510   9.6661   42.779   6.1699   40.676   10.400   43.921   7.6643  121.924   15.786  127.095   11.160 -5.170746 19.33221 
1 1 1  -29   13    4 f  181.553   8.9466   89.421   8.7771   0.0000   0.0000   89.421   8.7771  ?   ?   181.553   8.9466      ?      ? 
1 1 1  -29   13    5 f  309.362   6.0397  257.846   10.016  272.546   15.320  246.872   13.238  316.957   8.9449  301.768   8.1180 15.18939 12.07945 
1 1 1  -29   13    6 o  137.342   8.5285   50.671   6.1931   54.552   9.9870   48.245   7.8942  141.470   13.064  133.214   10.967 8.255997 17.05696 
1 1 1  -29   13    7 o  121.712   9.2668   39.694   6.0314   45.266   9.3936   35.785   7.8673  128.822   13.494  114.601   12.704 14.22053 18.53369 
1 1 1  -29   13    8 o   81.102   13.308   19.381   5.6631   15.583   9.0313   21.841   7.2700   74.179   21.368   88.024   15.868 -13.84420 26.61533 
1 1 1  -29   13    9 o  148.960   8.0066   60.546   6.3338   59.404   9.8671   61.346   8.2603  147.662   12.366  150.258   10.174 -2.596069 16.01313 
1 1 1  -29   13   10 o  206.442   6.6009  115.705   7.2806  115.759   11.165  115.666   9.6030  206.408   10.010  206.476   8.6069 -0.6877136E-01 13.20183 
1 1 1  -29   13   11 o   93.134   13.439   24.600   6.5240   22.058   8.8739   27.590   9.6245   87.772   19.240   98.495   18.768 -10.72272 26.87844 
1 1 1  -29   13   12 o  185.899   8.6125   94.836   8.5924   85.968   12.485  102.815   11.843  177.470   13.019  194.328   11.278 -16.85780 17.22490 
1 1 1  -29   13   13 o  340.388   8.1494  315.987   14.947  310.586   21.870  320.721   20.476  337.540   11.991  343.235   11.040 -5.695343 16.29882 
1 1 1  -29   13   14 o  243.674   8.3117  162.275   10.862  158.040   16.275  165.676   14.584  240.658   12.515  246.690   10.941 -6.032150 16.62339 
1 1 1  -29   13   15 o   95.984   14.554   26.366   7.2446   27.207   11.223   25.766   9.4859   97.036   21.920   94.933   19.152 2.103416 29.10842 
1 1 1  -29   13   16 o  180.912   11.149   89.133   10.899   89.133   10.899   0.0000   0.0000  180.912   11.149  ?   ?       ?      ? 
1 1 1  -29   13   17 f  248.419   6.3715  168.578   8.4602  160.385   12.767  174.993   11.297  242.898   9.7266  253.939   8.2326 -11.04060 12.74298 
1 1 1  -29   13   18 o  180.325   7.3141   89.253   6.9624   84.681   10.939   92.366   9.0271  176.260   11.485  184.390   9.0599 -8.130081 14.62810 
1 1 1  -29   13   19 o  391.659   6.3599  417.328   13.411  410.540   19.735  423.152   18.281  388.594   9.3986  394.724   8.5708 -6.130188 12.71977 
1 1 1  -29   13   20 o   45.223   13.461  -1.5971   5.8328   5.7673   9.0394  -6.8511   7.6351   55.192   21.334   35.253   16.423 19.93924 26.92288 
1 1 1  -29   13   21 o  212.827   6.7108  122.896   7.5295  124.978   12.097  121.578   9.6203  214.131   10.455  211.524   8.4167 2.606567 13.42150 
1 1 1  -29   13   22 o  328.174   8.1656  285.263   12.396  312.162   25.721  277.126   14.147  337.011   14.124  319.337   8.1984 17.67331 16.33110 
1 1 1  -29   13   23 o  126.251   15.520   49.205   9.6178   33.716   15.427   59.054   12.301  106.271   26.853  146.230   15.568 -39.95848 31.03919 
1 1 1  -29   13   24 o   84.044   16.648   22.288   8.7532   4.7658   15.234   30.923   10.695   64.591   26.735  103.496   19.845 -38.90533 33.29580 
1 1 1  -29   13   25 o  263.413   9.2305  189.036   13.139  189.036   13.139   0.0000   0.0000  263.413   9.2305  ?   ?       ?      ? 
1 1 1  -29   13   26 o  286.409   6.1671  222.527   9.4477  229.026   14.518  217.753   12.443  289.880   9.2682  282.937   8.1385 6.942627 12.33429 
1 1 1  -29   13   27 f   53.068   14.098   5.8348   5.7079   0.8546   8.9865   9.2026   7.3899   47.481   20.148   58.654   19.724 -11.17273 28.19578 
1 1 1  -29   13   28 o  106.614   10.526   31.000   5.9340   33.954   9.5907   29.168   7.5535  110.438   16.071  102.790   13.599 7.647713 21.05255 
1 1 1  -29   13   29 o  265.009   6.1723  191.955   8.7124  189.528   13.461  193.705   11.429  263.340   9.4595  266.678   7.9314 -3.337982 12.34457 
1 1 1  -29   13   30 o  151.145   8.1023   63.070   6.4871   61.530   10.163   64.129   8.4276  149.305   12.596  152.985   10.195 -3.679657 16.20468 
1 1 1  -29   13   31 o  140.569   8.5160   55.935   6.2705   46.834   9.6185   62.662   8.2694  129.941   13.698  151.197   10.121 -21.25517 17.03202 
1 1 1  -29   13   32 o   58.582   14.170   7.2869   5.7879   15.719   8.9611   1.2515   7.5814   72.944   21.364   44.220   18.621 28.72435 28.33966 
1 1 1  -29   13   33 o  137.450   8.6325   52.784   6.3352   47.931   9.4285   56.779   8.5539  131.336   13.285  143.564   11.026 -12.22771 17.26494 
1 1 1  -29   13   34 o  103.886   10.434   29.749   5.7893   33.876   9.0707   26.912   7.5202  109.712   15.300   98.061   14.192 11.65154 20.86893 
1 1 1  -29   13   35 o  220.312   6.3553  132.518   7.4565  136.581   11.646  129.695   9.7072  222.904   9.6685  217.719   8.2510 5.185043 12.71063 
1 1 1  -29   13   36 o   77.879   13.304   16.717   5.6027   26.977   9.1123   10.481   7.1042   95.483   18.327   60.275   19.290 35.20797 26.60792 
1 1 1  -29   13   37 o  144.787   8.4033   58.847   6.4627   55.385   9.9206   61.400   8.5182  140.613   13.056  148.961   10.583 -8.348236 16.80653 
1 1 1  -29   13   38 o  116.239   9.9252   38.353   6.1603   36.240   9.2889   40.011   8.2308  112.933   15.221  119.546   12.742 -6.612755 19.85041 
1 1 1  -29   13   39 o  146.866   8.4630   60.031   6.6815   62.107   10.037   58.378   8.9538  148.936   12.471  144.796   11.444 4.139832 16.92593 
1 1 1  -29   13   40 f   40.785   13.007  -2.8335   5.9723  -2.4107   9.3102  -3.1292   7.7852   43.096   19.321   38.474   17.420 4.622631 26.01481 
1 1 1  -29   13   41 o   42.726   13.392  -1.2090   6.1177  -3.6230   9.6138   0.4337   7.9306   42.445   19.274   43.007   18.598 -0.5626564 26.78393 
1 1 1  -29   13   42 o   48.364   14.154   3.2167   5.9492   5.4671   9.3612   1.6920   7.7054   52.681   21.277   44.048   18.672 8.632923 28.30860 
1 1 1  -29   13   43 o   54.571   14.271   7.7150   5.8302   2.6742   9.2064   11.090   7.5333   48.429   20.463   60.713   19.899 -12.28404 28.54295 
1 1 1  -29   13   44 o   71.466   14.796   16.438   6.1512   12.971   9.7977   18.693   7.9029   65.308   22.691   77.624   18.996 -12.31605 29.59242 
1 1 1  -29   13   45 o   94.625   13.064   27.866   6.4659   23.632   9.6324   31.339   8.7234   85.790   20.958  103.461   15.604 -17.67105 26.12845 
1 1 1  -29   13   46 o   83.983   14.277   22.690   6.3531   21.220   9.8614   23.733   8.3066   80.443   22.036   87.523   18.159 -7.079857 28.55388 
1 1 1  -29   13   47 o  106.116   12.928   36.378   6.8640   28.784   10.799   41.525   8.8910   92.914   21.872  119.317   13.790 -26.40326 25.85645 
1 1 1  -29   13   48 o   77.256   16.903   20.371   7.8640   15.309   10.465   26.937   11.918   67.275   23.447   87.238   24.353 -19.96335 33.80578 
1 1 1  -29   13   49 o  160.603   13.386   77.246   11.420   98.581   18.115   63.176   14.711  178.562   18.774  142.644   19.086 35.91870 26.77157 
1 1 1  -29   13   51 o   46.080   15.333 -10.0253   10.999 -37.6576   17.584   7.7342   14.097   37.258   18.782   54.903   24.242 -17.64504 30.66613 
1 1 1  -29   13   52 o   99.096   14.134   34.346   7.3528   23.544   10.873   43.449   9.9813   79.401   23.606  118.791   15.549 -39.39016 28.26737 
1 1 1  -29   13   53 o  138.272   10.507   59.904   7.7657   53.854   11.335   65.257   10.661  130.009   16.135  146.535   13.464 -16.52591 21.01409 
1 1 1  -29   14    1 o  282.818   6.1332  217.570   9.2950  213.626   14.012  220.669   12.421  280.434   9.2468  285.203   8.0598 -4.769012 12.26633 
1 1 1  -29   14    2 o   74.422   14.640   15.388   5.9344   17.712   9.8398   14.060   7.4397   78.656   22.188   70.187   19.104 8.469009 29.27937 
1 1 1  -29   14    4 o  169.184   7.3448   77.927   6.6440   77.362   10.138   78.353   8.7960  168.561   11.131  169.806   9.5861 -1.244995 14.68964 
1 1 1  -29   14    6 o  178.349   7.0326   86.816   6.7199   83.653   10.081   89.344   9.0145  175.334   10.641  181.363   9.1983 -6.028870 14.06529 
1 1 1  -29   14    7 o   63.102   14.718   10.471   5.7504   11.668   9.0056   9.6463   7.4719   66.008   21.763   60.196   19.822 5.812283 29.43678 
1 1 1  -29   14    8 o  178.538   7.9419   86.619   7.6519   80.911   10.560   92.928   11.103  172.346   11.339  184.729   11.123 -12.38393 15.88390 
1 1 1  -29   14    9 o  264.067   7.8750  188.357   11.183  205.878   16.853  174.572   14.949  274.911   11.345  253.223   10.925 21.68790 15.74994 
1 1 1  -29   14   10 o  120.372   11.709   39.625   7.5945   43.851   11.189   36.014   10.342  126.314   16.392  114.431   16.725 11.88348 23.41867 
1 1 1  -29   14   11 o  256.118   8.0230  179.218   11.062  162.320   15.710  195.833   15.578  244.001   11.915  268.234   10.747 -24.23309 16.04600 
1 1 1  -29   14   12 o   60.943   15.286   8.0235   6.9427  -0.9635   10.647   14.671   9.1573   49.712   21.524   72.174   21.711 -22.46214 30.57213 
1 1 1  -29   14   13 o  148.600   9.5895   59.766   7.0452   61.892   12.992   58.880   8.3852  150.107   16.017  147.093   10.549 3.014023 19.17899 
1 1 1  -29   14   14 o  217.489   8.5281  128.417   10.022   0.0000   0.0000  128.417   10.022  ?   ?   217.489   8.5281      ?      ? 
1 1 1  -29   14   15 o   43.510   13.348  -0.9270   5.7977  -3.0912   9.0062   0.6046   7.5763   43.133   19.194   43.887   18.555 -0.7545967 26.69585 
1 1 1  -29   14   16 o  161.607   7.7620   70.100   6.6467   76.517   10.673   66.034   8.4953  167.450   11.795  155.765   10.093 11.68559 15.52396 
1 1 1  -29   14   17 o  168.136   7.5774   73.470   6.6929   93.035   11.190   62.572   8.3515  184.687   11.212  151.585   10.196 33.10175 15.15484 
1 1 1  -29   14   18 o  121.858   9.9106   41.321   6.3087   38.364   10.116   43.203   8.0704  117.973   15.868  125.743   11.878 -7.769783 19.82122 
1 1 1  -29   14   19 o  121.038   9.6611   39.988   6.2226   41.481   9.7577   38.965   8.0784  122.781   14.707  119.295   12.532 3.485840 19.32213 
1 1 1  -29   14   20 o  160.431   9.7951   70.138   8.4915   0.0000   0.0000   70.138   8.4915  ?   ?   160.431   9.7951      ?      ? 
1 1 1  -29   14   21 o  167.894   12.227   88.317   8.3078   62.883   18.232   94.982   9.3331  149.036   22.638  186.752   9.2485 -37.71552 24.45472 
1 1 1  -29   14   22 o  123.251   16.216   49.084   9.5166   30.923   16.559   58.041   11.629  101.459   28.840  145.043   14.837 -43.58371 32.43296 
1 1 1  -29   14   23 o   61.243   17.816   4.3356   8.8358   7.2703   16.027   3.0541   10.591   68.464   27.774   54.022   22.320 14.44205 35.63141 
1 1 1  -29   14   24 o   59.737   16.185   6.6691   7.3014   3.5323   9.5275   11.133   11.366   52.426   21.359   67.048   24.322 -14.62193 32.36914 
1 1 1  -29   14   25 o  190.954   8.4901  100.715   8.6304  104.313   11.397   95.878   13.214  195.259   10.801  186.650   13.102 8.609100 16.98022 
1 1 1  -29   14   26 o  238.101   6.4373  154.394   8.1873  156.429   12.602  152.908   10.770  239.289   9.7461  236.913   8.4126 2.375732 12.87469 
1 1 1  -29   14   27 o  244.591   6.4632  163.272   8.4506  164.002   12.942  162.730   11.158  244.879   9.7804  244.302   8.4519 0.5773163 12.92636 
1 1 1  -29   14   28 o   94.969   12.443   24.850   6.1640   33.409   9.7301   19.113   7.9665  109.210   16.488   80.729   18.639 28.48071 24.88525 
1 1 1  -29   14   29 o  112.382   10.352   35.655   6.1149   32.671   9.5958   37.696   7.9346  107.934   16.453  116.830   12.568 -8.896286 20.70399 
1 1 1  -29   14   30 o  322.892   6.1629  284.061   10.664  290.690   16.233  279.028   14.145  325.987   9.2155  319.796   8.1852 6.190460 12.32571 
1 1 1  -29   14   31 o  135.966   8.8780   51.989   6.3568   46.979   9.8823   55.526   8.3025  129.868   14.082  142.065   10.815 -12.19724 17.75602 
1 1 1  -29   14   32 o  147.972   8.2590   61.753   6.4463   53.332   9.8080   68.157   8.5531  138.473   13.108  157.471   10.052 -18.99799 16.51805 
1 1 1  -29   14   33 o  126.995   9.2019   42.712   6.1510   58.813   9.9955   32.899   7.8036  145.393   12.723  108.597   13.298 36.79618 18.40385 
1 1 1  -29   14   34 o  112.569   9.8717   34.786   5.9278   40.084   9.3404   31.212   7.6705  119.451   14.471  105.687   13.431 13.76447 19.74337 
1 1 1  -29   14   35 o  127.261   9.2090   44.815   6.2542   48.188   9.7693   42.473   8.1412  131.014   13.799  123.508   12.199 7.506226 18.41804 
1 1 1  -29   14   36 o   59.109   14.111   7.7420   5.6447   16.911   9.1242   2.0570   7.1846   74.302   21.499   43.916   18.284 30.38566 28.22237 
1 1 1  -29   14   37 o  118.430   10.869   43.032   6.2290   29.746   9.7573   52.171   8.0927   99.731   18.795  137.129   10.921 -37.39816 21.73770 
1 1 1  -29   14   38 o  119.935   9.8574   40.751   6.2307   40.306   9.9218   41.041   8.0063  118.780   15.458  121.091   12.236 -2.311226 19.71479 
1 1 1  -29   14   39 o   57.051   13.515   7.4144   6.0339  -4.8717   9.1798   16.760   8.0064   40.301   18.501   73.801   19.706 -33.49958 27.02999 
1 1 1  -29   14   40 o   44.465   13.720  -0.5091   6.1212   2.8999   9.6968  -2.7675   7.8925   49.906   21.039   39.024   17.616 10.88224 27.44078 
1 1 1  -29   14   41 o  106.294   12.180   35.589   6.3235   26.223   10.146   41.539   8.0862   91.282   21.005  121.307   12.336 -30.02420 24.35946 
1 1 1  -29   14   42 f   41.196   12.834  -6.7278   5.9163   6.4628   9.4991 -15.0875   7.5621   54.276   21.600   28.116   13.867 26.16002 25.66827 
1 1 1  -29   14   43 o   45.844   13.998   1.2247   6.2611  -0.0356   9.9218   2.0587   8.0711   46.478   20.437   45.210   19.134 1.267727 27.99637 
1 1 1  -29   14   44 o   46.425   13.768   1.9231   6.2390  -6.8822   10.363   6.9286   7.8136   40.687   19.014   52.162   19.917 -11.47563 27.53636 
1 1 1  -29   14   45 o  125.397   10.574   46.759   6.8842   41.885   10.987   49.910   8.8332  118.435   17.167  132.359   12.350 -13.92389 21.14816 
1 1 1  -29   14   46 o   69.462   14.973   13.542   6.7046   27.311   10.713   4.6770   8.5960   90.073   22.163   48.850   20.139 41.22232 29.94596 
1 1 1  -29   14   47 o   50.693   15.509   3.1721   7.8108   1.3546   10.781   5.1802   11.332   48.175   21.239   53.212   22.605 -5.037544 31.01721 
1 1 1  -29   14   48 o   67.503   18.940   13.492   10.058   19.523   16.348   9.8198   12.758   74.235   28.691   60.771   24.733 13.46413 37.88005 
1 1 1  -29   14   50 o   49.985   16.444  -3.6684   10.233   13.259   17.242 -12.8716   12.713   61.094   26.901   38.876   18.920 22.21797 32.88802 
1 1 1  -29   14   51 o   82.721   15.311   23.421   7.0228   32.903   10.922   16.739   9.1694   97.173   21.381   68.270   21.922 28.90284 30.62245 
1 1 1  -29   14   52 o   52.330   15.189   7.8760   6.8480   11.070   10.400   5.4310   9.0990   56.656   22.584   48.004   20.317 8.652691 30.37784 
1 1 1  -29   15    1 o  134.619   9.3988   50.807   6.5321   44.797   10.598   54.489   8.2950  127.775   15.349  141.463   10.851 -13.68828 18.79758 
1 1 1  -29   15    2 o  292.672   6.2158  233.208   9.7663  226.943   14.559  238.332   13.169  288.997   9.3230  296.347   8.2234 -7.349854 12.43154 
1 1 1  -29   15    3 o  156.867   7.8835   65.897   6.6088   74.641   10.324   59.825   8.6023  165.490   11.545  148.245   10.739 17.24551 15.76701 
1 1 1  -29   15    4 o  231.982   8.7071  146.124   10.915   0.0000   0.0000  146.124   10.915  ?   ?   231.982   8.7071      ?      ? 
1 1 1  -29   15    5 o  213.353   7.4198  123.439   8.5307  118.330   11.559  129.549   12.642  208.556   10.257  218.150   10.724 -9.593765 14.83955 
1 1 1  -29   15    6 o  148.663   9.7841   61.302   7.7314   54.595   11.625   66.622   10.353  141.071   15.251  156.255   12.261 -15.18423 19.56812 
1 1 1  -29   15    7 o  174.745   8.9871   84.406   8.3801   72.770   12.229   94.707   11.506  163.073   13.878  186.417   11.422 -23.34369 17.97422 
1 1 1  -29   15    8 o  195.403   8.4527  104.226   8.8906  103.311   13.131  105.000   12.081  194.525   12.492  196.281   11.390 -1.756012 16.90545 
1 1 1  -29   15    9 o  281.359   7.9425  215.672   12.059  216.824   17.540  214.640   16.606  282.011   11.510  280.707   10.948 1.304199 15.88505 
1 1 1  -29   15   10 o  208.421   7.5556  112.713   8.1490  137.748   14.179  100.366   9.9576  224.724   11.677  192.119   9.5918 32.60539 15.11123 
1 1 1  -29   15   12 o  147.570   8.8379   62.049   6.7410   47.483   10.329   72.857   8.8972  131.541   14.531  163.598   10.064 -32.05754 17.67590 
1 1 1  -29   15   13 o  111.900   11.157   36.075   6.3183   29.229   9.7193   41.085   8.3150  101.228   18.448  122.572   12.554 -21.34431 22.31437 
1 1 1  -29   15   14 o  117.756   10.270   36.668   6.4097   47.813   10.238   29.485   8.2199  131.940   14.360  103.572   14.687 28.36774 20.54092 
1 1 1  -29   15   15 o  108.938   11.016   32.118   6.4110   36.760   10.035   28.916   8.3335  115.395   16.093  102.482   15.049 12.91267 22.03251 
1 1 1  -29   15   16 o  231.234   6.5249  145.101   8.0604  148.422   12.428  142.691   10.589  233.390   9.8546  229.078   8.5547 4.312073 13.04975 
1 1 1  -29   15   17 o  205.491   7.0709  116.243   7.7027  108.819   11.899  121.598   10.106  199.588   11.033  211.395   8.8470 -11.80702 14.14177 
1 1 1  -29   15   18 o  180.121   7.5147   87.052   7.2275   98.494   11.332   79.207   9.3837  189.850   11.046  170.392   10.191 19.45729 15.02945 
1 1 1  -29   15   19 f  118.661   10.215   38.079   6.3691   41.870   10.490   35.865   8.0158  123.028   15.779  114.295   12.979 8.732498 20.43096 
1 1 1  -29   15   20 o  228.546   9.2531  145.294   9.3297  140.315   20.039  146.671   10.542  224.903   16.489  232.189   8.4022 -7.285614 18.50614 
1 1 1  -29   15   21 o  234.201   10.058  152.908   12.308  144.212   19.807  158.378   15.709  228.064   16.072  240.337   12.096 -12.27299 20.11510 
1 1 1  -29   15   22 o  154.454   13.276   64.552   10.662   75.338   18.203   58.919   13.155  163.366   20.621  145.543   16.727 17.82333 26.55184 
1 1 1  -29   15   23 o   70.558   14.468   14.885   6.4205   4.7373   10.398   21.138   8.1625   55.746   22.456   85.370   18.247 -29.62335 28.93540 
1 1 1  -29   15   24 o  165.276   12.684   86.858   8.5278   60.608   18.401   94.038   9.6237  145.021   23.481  185.532   9.5992 -40.51054 25.36730 
1 1 1  -29   15   25 o  124.669   11.893   44.143   7.8493   47.403   10.384   39.797   11.989  130.635   14.711  118.704   18.691 11.93085 23.78559 
1 1 1  -29   15   26 o  116.370   13.156   39.632   7.8689   44.960   10.589   33.063   11.759  126.960   15.435  105.780   21.308 21.18033 26.31149 
1 1 1  -29   15   27 o  187.456   7.3418   95.816   7.3658  100.355   11.328   92.492   9.6954  191.117   10.969  183.795   9.7621 7.322388 14.68369 
1 1 1  -29   15   28 o  178.256   7.5139   87.447   7.1593   85.999   10.904   88.544   9.4915  176.732   11.418  179.779   9.7703 -3.047287 15.02774 
1 1 1  -29   15   29 o   93.986   12.754   25.351   6.1659   26.052   10.015   24.923   7.8247   93.634   20.373   94.338   15.350 -0.7039108 25.50786 
1 1 1  -29   15   30 o  126.197   9.6188   44.610   6.4207   43.104   10.065   45.643   8.3376  123.972   15.024  128.422   12.015 -4.449928 19.23757 
1 1 1  -29   15   31 o  100.930   12.332   30.350   6.2866   25.757   9.9912   33.360   8.0884   92.588   20.510  109.271   13.698 -16.68298 24.66385 
1 1 1  -29   15   32 o   63.111   14.723   11.439   5.7956   10.436   9.1090   12.122   7.5124   61.946   21.855   64.276   19.735 -2.329937 29.44635 
1 1 1  -29   15   33 o   50.136   13.908   3.5603   5.6382   9.3713   8.7680  -0.5366   7.3622   59.472   21.393   40.799   17.780 18.67313 27.81680 
1 1 1  -29   15   34 o   71.008   14.084   12.809   6.0265   25.827   9.8633   5.0547   7.6128   92.215   20.340   49.802   19.486 42.41343 28.16810 
1 1 1  -29   15   35 o  109.552   10.638   34.495   6.1424   31.735   9.5609   36.435   8.0153  105.109   16.833  113.995   13.012 -8.886177 21.27605 
1 1 1  -29   15   36 o   51.739   14.321   4.3654   5.8469   10.012   9.3616   0.7539   7.4867   60.821   22.072   42.658   18.253 18.16264 28.64185 
1 1 1  -29   15   37 o  171.063   7.6523   80.336   6.9008   86.043   11.203   76.846   8.7601  175.430   11.818  166.697   9.7251 8.733505 15.30466 
1 1 1  -29   15   38 o  100.316   12.339   31.206   6.1738   24.107   9.8133   35.856   7.9425   87.948   20.948  112.685   13.044 -24.73692 24.67748 
1 1 1  -29   15   39 o   92.762   12.634   24.213   6.0974   35.928   9.9136   17.085   7.7331  111.123   16.510   74.401   19.128 36.72211 25.26790 
1 1 1  -29   15   40 o   59.324   14.838   10.233   5.9940   7.2916   9.7149   12.041   7.6164   55.825   21.962   62.823   19.959 -6.998379 29.67625 
1 1 1  -29   15   41 f   50.352   14.140   4.5620   6.1413  -2.5155   9.7641   9.1944   7.8994   43.652   19.660   57.053   20.328 -13.40087 28.27985 
1 1 1  -29   15   42 o   69.930   14.665   13.344   6.3388   25.396   10.191   5.7398   8.0954   89.090   21.431   50.771   20.024 38.31844 29.32981 
1 1 1  -29   15   43 o   42.685   13.513  -1.4275   6.2826  -0.9736   9.9812  -1.7254   8.0852   45.194   20.151   40.175   18.009 5.018211 27.02564 
1 1 1  -29   15   44 o   50.349   14.700   3.4544   6.4990   9.1257   10.259  -0.3468   8.3992   58.303   22.674   42.394   18.716 15.90904 29.40052 
1 1 1  -29   15   45 o   43.971   13.853  -2.6136   6.7928   5.5131   10.427  -8.6066   8.9537   52.451   21.947   35.491   16.909 16.96038 27.70570 
1 1 1  -29   15   46 o  132.707   13.263   54.936   9.4142   56.154   12.605   53.401   14.157  135.781   17.180  129.633   20.209 6.148621 26.52511 
1 1 1  -29   15   47 o  187.843   12.692  110.832   12.219   77.072   17.666  141.802   16.920  155.479   21.027  220.207   14.219 -64.72792 25.38334 
1 1 1  -29   15   49 o   41.608   14.253 -13.0250   10.255 -30.5856   17.283  -3.4820   12.741   38.770   19.417   44.447   20.870 -5.676975 28.50586 
1 1 1  -29   15   50 o  119.584   11.805   45.033   7.5669   42.266   11.128   47.413   10.320  114.885   17.926  124.283   15.366 -9.397308 23.61054 
1 1 1  -29   15   51 o   92.185   15.255   31.577   7.4020   28.403   11.772   33.652   9.5194   84.334   24.425  100.036   18.284 -15.70257 30.51033 
1 1 1  -29   16    1 o  131.757   10.481   47.876   7.4393   44.752   10.688   50.811   10.361  127.466   15.517  136.048   14.094 -8.581787 20.96241 
1 1 1  -29   16    2 o   94.272   13.834   24.892   6.9556   33.559   10.363   17.788   9.3830  110.118   17.416   78.426   21.500 31.69240 27.66858 
1 1 1  -29   16    3 o  136.807   9.9147   51.284   7.2118   64.302   10.545   39.842   9.8854  153.283   12.731  120.331   15.203 32.95206 19.82931 
1 1 1  -29   16    4 o  113.872   11.853   35.681   7.2583   37.185   10.896   34.482   9.7323  115.924   17.393  111.820   16.107 4.104477 23.70575 
1 1 1  -29   16    5 o  219.695   8.3679  132.244   9.9046  124.505   14.271  139.437   13.758  213.361   12.378  226.029   11.264 -12.66805 16.73589 
1 1 1  -29   16    6 o  350.886   7.3662  334.016   13.328  340.766   22.605  330.420   16.501  353.143   11.846  348.628   8.7593 4.515533 14.73242 
1 1 1  -29   16    7 o   62.038   14.734   10.085   6.0409   5.6030   9.1274   13.579   8.0584   55.016   21.389   69.059   20.268 -14.04277 29.46713 
1 1 1  -29   16    8 o  252.114   8.6522  172.800   11.787   0.0000   0.0000  172.800   11.787  ?   ?   252.114   8.6522      ?      ? 
1 1 1  -29   16    9 o  179.847   7.4253   86.868   7.1601  100.203   10.972   76.977   9.4496  191.671   10.593  168.022   10.408 23.64914 14.85063 
1 1 1  -29   16   10 o  129.141   9.3559   45.920   6.4687   44.307   9.7337   47.197   8.6569  126.956   14.188  131.325   12.199 -4.368896 18.71174 
1 1 1  -29   16   11 o  190.741   11.215   99.393   11.560   99.393   11.560   0.0000   0.0000  190.741   11.215  ?   ?       ?      ? 
1 1 1  -29   16   12 o  358.092   8.7032  348.832   16.841   0.0000   0.0000  348.832   16.841  ?   ?   358.092   8.7032      ?      ? 
1 1 1  -29   16   13 o   78.191   14.402   18.243   6.2215   13.566   9.6497   21.570   8.1390   69.819   22.496   86.562   17.988 -16.74262 28.80318 
1 1 1  -29   16   14 o  195.150   7.2553  103.380   7.5627  107.369   11.706  100.521   9.9084  198.236   10.928  192.063   9.5470 6.172485 14.51058 
1 1 1  -29   16   15 o  221.218   6.7531  133.622   7.9887  131.598   12.156  135.161   10.599  219.596   10.244  222.839   8.8018 -3.242920 13.50624 
1 1 1  -29   16   16 o  276.030   8.3829  207.271   12.504   0.0000   0.0000  207.271   12.504  ?   ?   276.030   8.3829      ?      ? 
1 1 1  -29   16   17 o  231.172   8.5100  145.431   10.631   0.0000   0.0000  145.431   10.631  ?   ?   231.172   8.5100      ?      ? 
1 1 1  -29   16   18 o  248.940   9.8906  169.113   13.305  169.113   13.305   0.0000   0.0000  248.940   9.8906  ?   ?       ?      ? 
1 1 1  -29   16   19 o  160.150   12.251   66.013   8.5284   81.216   19.746   62.526   9.4558  169.245   21.591  151.054   11.585 18.19107 24.50240 
1 1 1  -29   16   20 o  167.064   13.013   76.299   10.871   83.536   19.849   73.198   12.993  171.502   21.418  162.626   14.785 8.876511 26.02556 
1 1 1  -29   16   21 o  155.777   13.435   66.680   10.896   74.775   18.417   62.320   13.515  162.152   21.019  149.403   16.741 12.74863 26.87094 
1 1 1  -29   16   22 o   60.548   14.841   7.7667   6.1154   16.008   9.8684   2.6289   7.7919   74.105   22.594   46.990   19.250 27.11533 29.68231 
1 1 1  -29   16   23 o  101.269   12.478   30.507   6.3507   24.574   10.094   34.393   8.1703   91.076   20.948  111.463   13.565 -20.38692 24.95619 
1 1 1  -29   16   24 o   99.600   16.540   32.768   7.6308   21.396   17.144   35.578   8.5215   85.953   30.007  113.247   13.925 -27.29411 33.08038 
1 1 1  -29   16   25 o  146.749   12.626   59.943   7.7977   62.230   18.031   59.416   8.6482  146.441   22.786  147.058   10.883 -0.6171112 25.25164 
1 1 1  -29   16   26 o   46.828   14.706  -2.6055   7.4772   1.3405   9.3019  -9.8108   12.570   48.445   20.525   45.212   21.066 3.232971 29.41139 
1 1 1  -29   16   27 o  216.149   8.5309  129.881   9.7255  132.896   12.557  125.360   15.375  219.864   10.569  212.434   13.394 7.430557 17.06173 
1 1 1  -29   16   28 o  141.492   9.1719   53.359   6.8647   68.432   11.155   44.172   8.7089  156.858   13.161  126.126   12.778 30.73148 18.34376 
1 1 1  -29   16   29 o  165.756   8.1053   75.030   7.1568   81.692   11.279   70.540   9.2598  171.592   12.164  159.920   10.715 11.67171 16.21055 
1 1 1  -29   16   30 o   89.696   13.631   24.687   6.4374   18.555   10.052   28.949   8.3814   78.079   22.558  101.313   15.310 -23.23417 27.26292 
1 1 1  -29   16   31 o   89.257   13.909   23.848   6.4246   24.194   10.172   23.618   8.2865   89.095   21.398   89.419   17.776 -0.3242035 27.81804 
1 1 1  -29   16   32 o   93.822   12.698   24.785   6.2214   32.069   9.9993   20.184   7.9469  105.542   17.533   82.102   18.372 23.44039 25.39523 
1 1 1  -29   16   33 o  278.084   6.4028  212.731   9.5300  212.837   14.504  212.651   12.642  277.800   9.6617  278.369   8.4045 -0.5686340 12.80568 
1 1 1  -29   16   34 o  114.910   11.817   40.968   6.5636   28.926   10.441   48.836   8.4398   97.455   20.478  132.366   11.800 -34.91087 23.63407 
1 1 1  -29   16   35 o  206.172   7.1130  118.097   7.7584  115.427   12.201  119.909   10.052  203.678   11.086  208.665   8.9150 -4.986542 14.22600 
1 1 1  -29   16   36 o   57.803   13.835   8.4265   6.1238  -3.3004   9.7080   16.176   7.8920   43.074   19.483   72.532   19.649 -29.45865 27.67032 
1 1 1  -29   16   37 o  106.341   11.452   32.626   6.5032   33.592   10.037   31.927   8.5379  107.175   17.330  105.507   14.975 1.668053 22.90420 
1 1 1  -29   16   38 o   70.382   14.992   14.538   6.1316   20.860   9.9318   10.645   7.7944   80.796   22.107   59.968   20.256 20.82884 29.98405 
1 1 1  -29   16   39 o   39.816   12.834  -4.0879   5.9924  -0.8604   9.4075  -6.2917   7.7736   44.588   19.739   35.043   16.406 9.544464 25.66711 
1 1 1  -29   16   40 f   52.562   14.222   5.7736   6.1973  -2.3870   9.7078   11.387   8.0513   43.610   19.626   61.513   20.588 -17.90312 28.44398 
1 1 1  -29   16   41 o   47.270   13.934  -1.1900   6.2950   10.602   10.123  -8.6262   8.0384   60.913   22.802   33.628   16.021 27.28561 27.86765 
1 1 1  -29   16   42 o   79.790   14.496   18.780   6.5269   31.566   10.465   10.640   8.3500  100.028   20.059   59.552   20.933 40.47588 28.99225 
1 1 1  -29   16   43 o   68.856   13.895   15.634   6.7076  -0.0983   10.819   25.457   8.5490   47.346   21.054   90.365   18.138 -43.01970 27.78954 
1 1 1  -29   16   44 o   39.932   13.101  -4.4891   6.6755  -6.9265   10.686  -2.9291   8.5489   40.536   19.060   39.329   17.981 1.206753 26.20252 
1 1 1  -29   16   45 o   51.134   16.199  -3.3140   9.4205   9.7725   14.644 -12.5541   12.305   61.990   25.979   40.279   19.359 21.71058 32.39901 
1 1 1  -29   16   46 o  131.885   14.750   54.635   10.400   60.270   16.162   50.653   13.585  136.604   21.895  127.166   19.770 9.437714 29.50036 
1 1 1  -29   16   48 o  133.186   17.287   76.967   12.391   31.306   18.639  113.131   16.588   77.959   30.494  188.413   16.293 -110.4549 34.57402 
1 1 1  -29   16   49 o  114.700   13.915   44.752   8.0283   37.965   12.627   49.356   10.401  102.387   23.342  127.014   15.155 -24.62653 27.83008 
1 1 1  -29   16   50 o   40.402   13.298  -3.3487   7.1928  -9.2235   11.242   0.7228   9.3591   38.140   18.374   42.664   19.229 -4.524452 26.59615 
1 1 1  -29   17    1 o  160.296   8.7693   69.911   7.5143   73.919   11.632   67.041   9.8438  164.071   13.120  156.520   11.639 7.551331 17.53859 
1 1 1  -29   17    2 o  249.245   7.2157  166.181   9.3500  181.509   15.803  157.925   11.598  257.626   11.352  240.864   8.9108 16.76205 14.43133 
1 1 1  -29   17    3 o  210.721   10.577  121.238   12.044  121.238   12.044   0.0000   0.0000  210.721   10.577  ?   ?       ?      ? 
1 1 1  -29   17    4 o  136.264   11.943   50.843   8.7940   0.0000   0.0000   50.843   8.7940  ?   ?   136.264   11.943      ?      ? 
1 1 1  -29   17    5 o  382.054   9.0051  397.397   18.591   0.0000   0.0000  397.397   18.591  ?   ?   382.054   9.0051      ?      ? 
1 1 1  -29   17    6 o  364.494   8.8217  361.603   17.375   0.0000   0.0000  361.603   17.375  ?   ?   364.494   8.8217      ?      ? 
1 1 1  -29   17    7 o   84.054   14.078   20.624   6.2918   19.446   9.2127   21.653   8.6133   81.632   20.820   86.476   18.956 -4.843681 28.15623 
1 1 1  -29   17    8 o  206.591   7.1497  116.880   7.9149  112.765   11.868  120.175   10.622  203.161   10.811  210.021   9.3595 -6.860428 14.29935 
1 1 1  -29   17    9 o  137.491   9.2009   51.962   6.7827   51.478   10.220   52.343   9.0675  136.775   13.828  138.207   12.141 -1.432083 18.40174 
1 1 1  -29   17   10 o   71.852   14.809   15.054   6.1500   12.123   9.4919   17.175   8.0739   66.834   22.355   76.869   19.428 -10.03496 29.61750 
1 1 1  -29   17   11 o   63.774   14.896   10.855   6.2203   5.9110   9.1950   15.026   8.4464   55.427   21.491   72.121   20.632 -16.69395 29.79110 
1 1 1  -29   17   12 o   45.681   13.733  -1.0528   6.0251   4.7503   9.3328  -5.1998   7.8894   53.854   21.417   37.507   17.194 16.34723 27.46512 
1 1 1  -29   17   13 o  174.548   7.5552   81.101   7.0198   96.473   11.165   71.052   9.0272  187.808   11.002  161.288   10.358 26.52065 15.11035 
1 1 1  -29   17   14 o  116.916   10.573   38.806   6.4774   32.242   9.8911   43.735   8.5709  107.635   17.006  126.197   12.569 -18.56200 21.14645 
1 1 1  -29   17   15 o   73.715   15.038   15.857   6.3323   14.233   9.4942   17.158   8.4988   70.781   22.261   76.649   20.225 -5.868469 30.07666 
1 1 1  -29   17   16 o  127.701   9.7229   45.791   6.5215   41.032   10.186   49.097   8.4894  121.622   15.499  133.781   11.743 -12.15941 19.44576 
1 1 1  -29   17   17 o  181.471   12.002   90.470   11.769   90.470   11.769   0.0000   0.0000  181.471   12.002  ?   ?       ?      ? 
1 1 1  -29   17   18 o   85.459   20.112   21.042   10.518   21.338   18.058   20.890   12.939   86.931   30.761   83.988   25.918 2.943138 40.22392 
1 1 1  -29   17   19 o  101.316   19.228   31.573   10.263   29.707   18.620   32.387   12.301   98.261   31.206  104.372   22.475 -6.110718 38.45681 
1 1 1  -29   17   20 f   68.201   19.061   9.5561   10.188   6.4797   17.186   11.223   12.650   68.331   28.349   68.071   25.488 0.2602844 38.12233 
1 1 1  -29   17   21 o   92.606   13.177   24.317   6.3074   30.793   9.8679   19.843   8.2015  103.028   18.400   82.185   18.867 20.84354 26.35356 
1 1 1  -29   17   22 o   86.841   13.380   23.524   6.3148   12.252   9.6576   31.943   8.3461   66.517   22.548  107.166   14.413 -40.64914 26.76024 
1 1 1  -29   17   23 o   49.066   14.195   3.0428   6.0276  -0.0892   9.4608   5.1827   7.8202   47.044   20.329   51.088   19.816 -4.043774 28.38908 
1 1 1  -29   17   24 o  113.157   10.971   35.381   6.6039   38.615   10.461   33.238   8.5152  117.127   16.528  109.188   14.432 7.938545 21.94240 
1 1 1  -29   17   25 o  104.193   16.772   37.995   7.8004   21.703   18.300   41.612   8.6230   85.967   30.908  122.419   13.035 -36.45226 33.54388 
1 1 1  -29   17   26 o   47.410   14.787  -0.9013   7.1553 -24.5045   16.969   4.2031   7.8911   45.534   22.090   49.285   19.664 -3.750957 29.57479 
1 1 1  -29   17   27 o  170.434   14.688   81.599   13.528   0.0000   0.0000   81.599   13.528  ?   ?   170.434   14.688      ?      ? 
1 1 1  -29   17   28 o   69.573   17.187   13.713   7.8538   13.830   10.099   13.534   12.494   68.969   23.058   70.178   25.494 -1.209084 34.37445 
1 1 1  -29   17   29 o   54.008   14.796   4.7315   6.0880   11.313   10.206   1.0961   7.5853   64.395   23.089   43.621   18.511 20.77384 29.59285 
1 1 1  -29   17   30 o  144.847   8.8478   57.318   6.8312   66.472   10.802   51.218   8.8186  154.098   12.972  135.595   12.036 18.50291 17.69554 
1 1 1  -29   17   31 o   47.157   13.941  -1.2019   6.1583   8.7900   10.041  -7.2262   7.7968   59.654   22.627   34.659   16.291 24.99520 27.88133 
1 1 1  -29   17   32 o   79.685   14.567   19.290   6.1690   20.067   10.155   18.835   7.7665   80.312   22.500   79.057   18.507 1.254921 29.13323 
1 1 1  -29   17   33 o  108.174   12.515   36.638   6.6160   26.405   10.577   43.215   8.4798   92.239   21.601  124.109   12.644 -31.87028 25.02933 
1 1 1  -29   17   34 o  139.076   9.5891   53.814   7.0953   59.886   11.262   49.818   9.1367  145.090   14.364  133.062   12.707 12.02785 19.17810 
1 1 1  -29   17   35 o   84.199   13.274   19.703   6.5886   38.244   10.249   6.6443   8.6014  114.813   16.520   53.585   20.783 61.22871 26.54870 
1 1 1  -29   17   36 f  130.048   9.8938   48.837   6.7166   45.697   10.769   50.836   8.5929  125.597   15.867  134.500   11.823 -8.903137 19.78765 
1 1 1  -29   17   37 o   52.293   14.138   5.5719   6.2112  -3.7749   9.9895   11.463   7.9305   42.922   19.551   61.663   20.427 -18.74097 28.27523 
1 1 1  -29   17   38 o  147.542   8.9174   58.359   6.9154   77.706   11.493   47.380   8.6581  165.574   12.846  129.510   12.372 36.06453 17.83473 
1 1 1  -29   17   39 o  126.021   10.388   45.204   7.0011   50.595   10.889   41.405   9.1409  132.006   15.265  120.035   14.093 11.97055 20.77579 
1 1 1  -29   17   40 o   59.913   15.037   10.620   6.4396   4.7578   10.154   14.564   8.3285   52.216   21.738   67.610   20.782 -15.39342 30.07377 
1 1 1  -29   17   41 o   52.045   14.511   6.0969   6.2731   0.0256   10.318   9.6567   7.9009   46.824   20.704   57.265   20.338 -10.44047 29.02211 
1 1 1  -29   17   42 o  141.995   9.4386   57.017   7.0610   65.679   11.611   51.933   8.8949  149.536   14.369  134.455   12.243 15.08116 18.87716 
1 1 1  -29   17   43 o   80.547   17.640   23.551   8.6679   27.704   11.791   18.669   12.786   88.754   24.006   72.340   25.853 16.41404 35.27975 
1 1 1  -29   17   44 o  128.673   15.748   54.274   10.659   53.401   15.685   55.023   14.530  125.516   24.001  131.830   20.396 -6.313850 31.49683 
1 1 1  -29   17   45 o   36.715   12.985 -32.6570   10.623 -30.9234   15.764 -34.0991   14.379   38.440   19.141   34.990   17.551 3.449848 25.96914 
1 1 1  -29   17   46 o   80.861   26.911   27.072   13.759   0.0000   0.0000   27.072   13.759  ?   ?    80.861   26.911      ?      ? 
1 1 1  -29   17   47 o   66.223   19.043   17.895   10.670   15.574   17.997   19.153   13.251   63.990   27.844   68.456   25.986 -4.466206 38.08628 
1 1 1  -29   17   48 o  126.585   13.476   54.786   8.3642   38.437   12.569   67.781   11.206  103.005   23.146  150.166   13.810 -47.16101 26.95230 
1 1 1  -29   17   49 o   79.341   13.573   24.493   7.4630   3.9426   11.518   39.365   9.7981   48.380   21.604  110.302   16.439 -61.92224 27.14700 
1 1 1  -29   18    1 o   71.670   14.859   14.656   6.2071   18.216   8.9694   11.384   8.5988   78.898   20.758   64.443   21.266 14.45454 29.71796 
1 1 1  -29   18    2 o  107.353   11.138   32.097   6.4183   30.431   9.4806   33.506   8.7206  104.587   16.775  110.120   14.655 -5.533104 22.27529 
1 1 1  -29   18    3 o  124.866   10.066   42.920   6.7355   43.834   10.246   42.224   8.9386  125.878   15.063  123.854   13.356 2.023857 20.13101 
1 1 1  -29   18    4 o  256.615   6.6458  180.030   9.1901  171.053   13.275  188.291   12.735  250.350   9.8128  262.879   8.9654 -12.52969 13.29170 
1 1 1  -29   18    5 o  310.517   8.8210  262.651   14.801   0.0000   0.0000  262.651   14.801  ?   ?   310.517   8.8210      ?      ? 
1 1 1  -29   18    6 o   66.448   15.219   12.279   6.3881   8.4253   9.5893   15.354   8.5655   60.147   22.256   72.750   20.764 -12.60358 30.43836 
1 1 1  -29   18    7 o  219.642   6.9733  131.199   8.2360  136.581   12.369  126.912   11.039  223.585   10.238  215.699   9.4710 7.886398 13.94670 
1 1 1  -29   18    8 o  273.029   6.5291  202.855   9.5811  207.158   14.376  199.418   12.851  275.512   9.6566  270.547   8.7902 4.964203 13.05826 
1 1 1  -29   18    9 o  111.487   11.307   34.587   6.6631   34.219   10.537   34.832   8.6010  110.665   17.621  112.308   14.173 -1.643410 22.61312 
1 1 1  -29   18   10 o  100.985   12.691   29.470   6.6530   25.573   9.9508   32.620   8.9466   93.503   20.278  108.467   15.264 -14.96401 25.38125 
1 1 1  -29   18   11 o  273.127   8.6731  203.299   12.801   0.0000   0.0000  203.299   12.801  ?   ?   273.127   8.6731      ?      ? 
1 1 1  -29   18   12 f  204.990   7.3717  115.219   8.0923  113.318   12.235  116.698   10.789  203.299   11.137  206.681   9.6605 -3.381821 14.74338 
1 1 1  -29   18   13 o  148.483   8.6074   59.694   6.8244   66.869   10.691   54.761   8.8655  155.773   12.701  141.192   11.620 14.58113 17.21472 
1 1 1  -29   18   14 o   62.665   15.397   10.428   6.3874   9.2925   9.4915   11.368   8.6355   61.192   22.222   64.139   21.319 -2.947075 30.79442 
1 1 1  -29   18   15 o  148.624   8.8408   60.161   7.0105   65.522   10.984   56.475   9.1067  153.970   13.202  143.277   11.762 10.69243 17.68152 
1 1 1  -29   18   16 o   55.591   15.034   5.1819   6.3234   11.364   10.212   1.3372   8.0531   65.550   23.139   45.632   19.202 19.91779 30.06840 
1 1 1  -29   18   17 o   73.163   19.677   10.724   10.511   20.957   17.776   5.2230   13.034   85.721   30.499   60.605   24.870 25.11562 39.35391 
1 1 1  -29   18   18 o   66.301   18.872   8.2152   10.248  -2.3851   19.325   12.363   12.088   63.566   28.209   69.036   25.077 -5.469193 37.74392 
1 1 1  -29   18   19 o  151.685   10.788   62.816   8.7255   55.723   11.276   73.401   13.775  141.410   14.757  161.960   15.740 -20.54953 21.57547 
1 1 1  -29   18   20 o  220.049   7.0276  132.325   8.2741  135.682   12.685  129.839   10.916  222.265   10.562  217.833   9.2736 4.432327 14.05517 
1 1 1  -29   18   21 o  171.523   8.0945   77.706   7.3359   99.059   11.994   64.943   9.2725  189.481   11.714  153.565   11.174 35.91577 16.18894 
1 1 1  -29   18   22 o   53.173   14.933   5.1179   6.4358   2.3279   10.105   7.0221   8.3480   51.272   21.539   55.075   20.689 -3.802727 29.86577 
1 1 1  -29   18   23 o  126.908   10.180   44.294   6.9006   50.335   10.805   40.133   8.9676  133.921   14.931  119.896   13.841 14.02442 20.36010 
1 1 1  -29   18   24 o   48.991   14.055   0.7889   6.1703   9.4016   9.5016  -5.4918   8.1140   60.600   22.199   37.382   17.246 23.21782 28.11090 
1 1 1  -29   18   25 o   77.006   14.523   18.849   6.6545   8.4748   10.520   25.770   8.5920   60.326   23.092   93.686   17.619 -33.35958 29.04611 
1 1 1  -29   18   26 o   60.885   18.011   4.3032   7.4900   11.761   19.073   2.9434   8.1442   74.096   30.208   47.673   19.622 26.42253 36.02166 
1 1 1  -29   18   27 o   95.361   17.602   25.313   7.6052   34.797   17.771   23.186   8.4146  102.443   30.109   88.279   18.243 14.16411 35.20418 
1 1 1  -29   18   28 o   47.657   14.589  -2.6992   7.7310   6.4743   9.8002 -17.8131   12.579   55.776   22.021   39.537   19.142 16.23982 29.17803 
1 1 1  -29   18   29 o   65.666   17.228   11.434   7.9754   10.587   10.179   12.782   12.835   62.742   22.978   68.589   25.675 -5.846611 34.45586 
1 1 1  -29   18   30 o   61.430   14.326   7.5528   6.2390   20.392   9.8624  -1.0133   8.0557   81.064   21.967   41.797   18.396 39.26711 28.65268 
1 1 1  -29   18   31 o  126.855   10.035   46.162   6.6989   42.707   10.493   48.540   8.7034  122.038   15.911  131.671   12.232 -9.632515 20.07004 
1 1 1  -29   18   32 o   54.817   14.922   7.1345   6.1239   6.3000   10.046   7.6279   7.7250   55.370   22.155   54.264   19.995 1.106468 29.84393 
1 1 1  -29   18   33 o   69.423   13.767   15.261   6.4504   0.9308   10.356   24.345   8.2452   48.847   21.188   90.000   17.585 -41.15267 27.53465 
1 1 1  -29   18   34 o  115.579   11.303   39.102   6.9056   36.481   10.690   40.979   9.0467  111.293   17.775  119.865   13.967 -8.572090 22.60606 
1 1 1  -29   18   35 o   61.392   12.709   1.1482   6.3064   27.336   10.257 -14.7713   7.9967   93.257   20.874   29.527   14.503 63.72917 25.41753 
1 1 1  -29   18   36 o   80.711   15.290   20.060   6.6297   24.026   10.927   17.749   8.3401   86.149   23.030   75.273   20.118 10.87552 30.57961 
1 1 1  -29   18   37 o  110.438   12.226   34.702   6.9716   46.904   11.265   27.129   8.8753  126.526   16.477   94.349   18.066 32.17735 24.45166 
1 1 1  -29   18   38 o  117.236   11.404   40.131   7.1335   42.563   11.106   38.423   9.3071  119.580   17.188  114.891   14.991 4.688568 22.80719 
1 1 1  -29   18   39 o   91.650   14.406   26.108   6.8305   30.336   10.944   23.410   8.7423   97.008   21.447   86.292   19.239 10.71597 28.81203 
1 1 1  -29   18   40 o  111.135   12.740   35.251   7.1551   55.547   11.819   23.509   8.9897  136.700   16.000   85.570   19.830 51.13043 25.47972 
1 1 1  -29   18   41 o  133.667   10.829   53.501   7.5814   52.550   12.185   54.101   9.6845  131.021   17.210  136.314   13.148 -5.292664 21.65748 
1 1 1  -29   18   42 o  135.848   13.929   56.942   10.114   66.306   15.790   50.428   13.169  144.634   20.204  127.062   19.181 17.57197 27.85844 
1 1 1  -29   18   43 o  139.301   13.956   58.974   10.352   73.221   16.336   49.414   13.381  152.920   19.769  125.682   19.703 27.23765 27.91115 
1 1 1  -29   18   44 o   56.370   16.826   3.3252   9.8414 -11.5586   14.322   16.640   13.546   44.014   21.083   68.726   26.229 -24.71193 33.65170 
1 1 1  -29   18   45 o   52.022   16.339  -2.5749   11.422 -42.2072   19.693   17.514   14.021   38.800   19.598   65.245   26.149 -26.44490 32.67800 
1 1 1  -29   18   46 o   99.456   19.526   35.732   11.242   66.351   19.307   20.027   13.828  128.285   28.584   70.627   26.608 57.65771 39.05144 
1 1 1  -29   18   47 o  121.722   12.176   46.937   7.8685   52.093   12.536   43.585   10.107  125.686   18.459  117.759   15.884 7.926682 24.35194 
1 1 1  -29   18   48 o   45.246   14.306  -1.3847   7.3747   11.297   11.585 -10.0250   9.5624   56.255   23.302   34.237   16.604 22.01754 28.61239 
1 1 1  -29   19    1 o   88.245   12.642   22.071   6.3551   41.451   9.4600   6.1315   8.5792  122.218   14.324   54.272   20.835 67.94585 25.28421 
1 1 1  -29   19    2 o  195.034   7.3125  104.241   7.6756  103.940   11.364  104.493   10.409  194.652   10.804  195.416   9.8570 -0.7645416 14.62492 
1 1 1  -29   19    3 o  156.066   11.393   66.926   9.6076   0.0000   0.0000   66.926   9.6076  ?   ?   156.066   11.393      ?      ? 
1 1 1  -29   19    4 o  181.647   7.6067   90.111   7.4497   96.779   10.986   84.435   10.136  187.824   10.824  175.470   10.690 12.35422 15.21332 
1 1 1  -29   19    5 o  258.929   6.6494  182.643   9.2606  189.302   13.876  177.296   12.435  263.055   9.7621  254.804   9.0311 8.251266 13.29885 
1 1 1  -29   19    6 o   76.948   14.465   16.783   6.3804   25.205   9.5257   9.9308   8.5928   92.685   19.630   61.211   21.251 31.47369 28.93022 
1 1 1  -29   19    7 o  196.900   7.4171  106.783   7.8464  100.251   11.500  112.472   10.733  191.059   11.139  202.742   9.7965 -11.68349 14.83417 
1 1 1  -29   19    8 o  129.294   9.9326   45.836   6.8999   52.538   10.400   40.566   9.2221  137.657   13.981  120.931   14.112 16.72581 19.86523 
1 1 1  -29   19    9 o  201.215   7.5123  109.380   8.0360  120.198   12.775  102.298   10.337  209.123   11.305  193.308   9.8962 15.81532 15.02469 
1 1 1  -29   19   10 o  205.173   7.4745  112.896   8.1839  132.684   12.869   99.460   10.604  219.854   10.833  190.491   10.302 29.36229 14.94905 
1 1 1  -29   19   11 o   74.396   14.129   16.768   6.5748   4.4980   10.112   25.755   8.6540   54.512   22.080   94.279   17.635 -39.76746 28.25792 
1 1 1  -29   19   12 o  106.862   12.452   32.671   6.8993   32.278   10.724   32.949   9.0118  105.062   19.612  108.662   15.348 -3.599159 24.90313 
1 1 1  -29   19   13 o  138.915   9.8485   52.692   7.2802   67.383   11.016   41.298   9.7009  156.053   13.063  121.777   14.742 34.27594 19.69708 
1 1 1  -29   19   14 o  241.166   6.8600  159.258   8.8519  159.331   13.493  159.204   11.729  240.987   10.361  241.344   8.9934 -0.3568726 13.72007 
1 1 1  -29   19   15 o  107.242   18.765   28.802   8.4446   47.477   21.686   25.463   9.1682  121.278   32.453   93.206   18.851 28.07193 37.53037 
1 1 1  -29   19   16 o  189.851   13.027  104.795   12.756   92.680   20.647  112.275   16.223  179.197   21.323  200.505   14.973 -21.30826 26.05487 
1 1 1  -29   19   17 o   84.448   17.288   21.763   11.038 -14.4752   19.733   38.266   13.316   55.918   26.166  112.978   22.601 -57.05994 34.57573 
1 1 1  -29   19   18 o  209.407   9.7903  120.317   11.078   0.0000   0.0000  120.317   11.078  ?   ?   209.407   9.7903      ?      ? 
1 1 1  -29   19   19 o  100.191   12.886   28.931   6.7211   29.913   10.492   28.247   8.7529  100.343   20.051  100.038   16.192 0.3047943 25.77250 
1 1 1  -29   19   20 f   91.880   13.917   25.318   6.6270   24.127   10.263   26.170   8.6792   89.241   21.530   94.519   17.642 -5.277924 27.83457 
1 1 1  -29   19   21 o  120.048   10.647   39.924   6.8088   44.354   10.755   36.960   8.7958  125.244   15.892  114.853   14.172 10.39056 21.29347 
1 1 1  -29   19   22 o  117.039   14.426   38.454   9.1235   0.0000   0.0000   38.454   9.1235  ?   ?   117.039   14.426      ?      ? 
1 1 1  -29   19   23 o  229.507   7.1355  144.059   8.7312  151.493   13.637  138.894   11.367  234.177   10.776  224.837   9.3556 9.340332 14.27096 
1 1 1  -29   19   24 o  204.016   7.4750  114.853   8.1803  116.425   12.370  113.631   10.905  204.992   11.167  203.041   9.9397 1.950500 14.94994 
1 1 1  -29   19   25 o  100.983   13.013   30.758   6.7723   25.258   10.237   35.040   9.0311   90.769   21.246  111.198   15.030 -20.42860 26.02520 
1 1 1  -29   19   26 o  143.219   9.2003   57.167   7.0341   59.668   10.913   55.389   9.2002  145.526   13.878  140.912   12.083 4.613754 18.40065 
1 1 1  -29   19   27 o   55.267   16.873   3.7054   7.5949  -6.0631   19.351   5.4841   8.2575   58.938   26.985   51.596   20.264 7.341953 33.74610 
1 1 1  -29   19   28 o   57.697   17.689  -0.2955   7.8492   13.840   18.921  -3.2336   8.6264   74.686   30.220   40.707   18.393 33.97866 35.37757 
1 1 1  -29   19   29 o  106.342   14.417   33.619   8.0838   28.307   10.755   40.518   12.256   95.553   21.365  117.131   19.364 -21.57827 28.83462 
1 1 1  -29   19   30 o  103.216   15.599   33.477   8.3899   34.641   11.227   32.005   12.626  106.366   20.273  100.066   23.714 6.299911 31.19810 
1 1 1  -29   19   31 o  130.460   10.035   48.768   6.9582   46.924   10.717   50.111   9.1490  127.641   15.538  133.279   12.703 -5.638069 20.06977 
1 1 1  -29   19   32 o  172.901   8.4609   84.040   7.7449   84.389   12.231   83.806   10.007  172.508   13.121  173.294   10.686 -0.7863312 16.92182 
1 1 1  -29   19   33 o  145.457   9.4928   60.886   7.3155   56.269   11.230   64.290   9.6419  139.772   14.869  151.142   11.806 -11.37059 18.98562 
1 1 1  -29   19   34 o   42.840   13.766  -3.5971   6.6309  -0.6945   11.122  -5.1978   8.2593   48.296   21.418   37.384   17.301 10.91195 27.53250 
1 1 1  -29   19   35 o  122.377   11.121   43.659   7.1065   43.093   11.547   44.003   9.0164  120.561   17.725  124.193   13.435 -3.631958 22.24116 
1 1 1  -29   19   36 o   64.357   15.792   12.532   6.5964   14.845   10.495   11.022   8.4810   68.227   23.497   60.488   21.106 7.739197 31.58408 
1 1 1  -29   19   37 o   51.227   14.479   5.2310   6.4139  -1.9126   10.491   9.4953   8.1053   45.273   20.385   57.181   20.568 -11.90781 28.95878 
1 1 1  -29   19   38 o   49.283   14.551   2.0607   6.5190   9.6420   10.460  -2.7547   8.3361   59.078   22.917   39.488   17.937 19.59019 29.10212 
1 1 1  -29   19   39 o   42.311   13.467  -3.8898   6.4935   4.7892   10.323  -9.5730   8.3532   51.355   21.682   33.267   15.979 18.08840 26.93373 
1 1 1  -29   19   40 o  147.970   11.469   65.397   9.1006   61.896   12.038   70.068   13.903  144.073   15.463  151.866   16.942 -7.793137 22.93707 
1 1 1  -29   19   41 o  104.386   18.617   38.957   10.500   38.378   14.901   39.527   14.798  103.350   26.542  105.421   26.113 -2.071342 37.23399 
1 1 1  -29   19   42 o   59.465   16.503  -0.0340   9.4663   24.932   14.342 -19.3086   12.601   81.657   27.478   37.273   18.287 44.38404 33.00626 
1 1 1  -29   19   43 o   36.927   12.651 -10.5026   7.4650 -18.9279   13.601  -6.8701   8.9304   38.024   18.723   35.830   17.018 2.193531 25.30133 
1 1 1  -29   19   44 o   94.551   16.829   41.173   11.648   6.5586   20.170   58.491   14.267   58.143   26.952  130.960   20.160 -72.81754 33.65814 
1 1 1  -29   19   45 o   66.089   17.950   14.639   11.059  -9.1667   18.367   28.176   13.851   49.320   23.691   82.857   26.973 -33.53662 35.89986 
1 1 1  -29   19   46 o   40.831   13.509  -6.0954   7.2878   4.7347   11.644 -13.0698   9.3442   49.482   21.931   32.181   15.780 17.30144 27.01793 
1 1 1  -29   20    1 o   99.880   12.597   28.531   6.5357   37.908   9.6514   20.588   8.8822  116.446   15.338   83.313   19.986 33.13283 25.19336 
1 1 1  -29   20    2 o   68.422   21.335   13.566   8.7418   13.566   8.7418   0.0000   0.0000   68.422   21.335  ?   ?       ?      ? 
1 1 1  -29   20    3 o  270.027   9.0529  199.372   13.209   0.0000   0.0000  199.372   13.209  ?   ?   270.027   9.0529      ?      ? 
1 1 1  -29   20    4 o  114.430   10.955   36.550   6.7603   37.757   9.9392   35.511   9.2220  116.095   15.843  112.765   15.134 3.330582 21.91031 
1 1 1  -29   20    5 o  115.356   12.375   38.548   6.8351   69.146   10.423   15.461   9.0536  158.257   12.188   72.455   21.541 85.80228 24.75047 
1 1 1  -29   20    6 o   89.561   14.057   23.686   6.6420   27.464   9.5702   20.176   9.2255   96.825   18.970   82.296   20.750 14.52855 28.11455 
1 1 1  -29   20    7 o  148.959   8.9243   60.932   7.1360   65.062   10.855   57.789   9.4702  153.236   13.109  144.681   12.113 8.555038 17.84855 
1 1 1  -29   20    8 o  241.181   10.419  159.717   13.579  159.717   13.579   0.0000   0.0000  241.181   10.419  ?   ?       ?      ? 
1 1 1  -29   20    9 o  121.260   10.842   41.137   7.0591   41.193   10.587   41.092   9.4719  121.097   16.179  121.422   14.436 -0.3253632 21.68339 
1 1 1  -29   20   10 o   83.259   15.109   20.639   6.8063   22.331   10.183   19.272   9.1508   86.196   21.837   80.322   20.887 5.874496 30.21806 
1 1 1  -29   20   11 o  105.634   12.516   32.803   6.7428   28.501   10.503   35.820   8.7943   97.946   20.503  113.322   14.362 -15.37546 25.03223 
1 1 1  -29   20   12 o  104.740   12.726   32.160   6.8818   28.231   10.438   35.181   9.1529   97.410   20.479  112.069   15.114 -14.65907 25.45288 
1 1 1  -29   20   13 o  202.628   7.8643  113.502   8.5297  110.942   12.894  115.494   11.374  200.290   11.913  204.965   10.270 -4.674576 15.72865 
1 1 1  -29   20   14 o   89.702   21.433   23.988   11.566   27.455   21.457   22.568   13.732   93.822   33.495   85.582   26.749 8.239632 42.86510 
1 1 1  -29   20   15 o  116.365   20.614   44.851   12.466   38.378   22.419   47.748   14.998  107.001   34.270  125.729   22.920 -18.72863 41.22815 
1 1 1  -29   20   16 o   55.740   15.932  -1.1126   8.0091 -10.7819   10.124   15.059   13.093   38.376   18.196   73.103   26.158 -34.72733 31.86419 
1 1 1  -29   20   17 o   76.180   14.949   17.341   6.4021   20.681   9.4101   14.463   8.7355   82.635   21.023   69.724   21.258 12.91137 29.89742 
1 1 1  -29   20   18 o   52.359   14.814   4.8384   6.2979   5.5731   9.6286   4.2890   8.3259   54.542   21.734   50.177   20.136 4.364845 29.62846 
1 1 1  -29   20   19 o  131.275   12.816   48.032   9.0914   0.0000   0.0000   48.032   9.0914  ?   ?   131.275   12.816      ?      ? 
1 1 1  -29   20   20 o  121.160   10.382   40.459   6.7212   48.515   10.463   34.799   8.7699  131.175   14.761  111.145   14.602 20.03038 20.76333 
1 1 1  -29   20   21 o   68.534   13.855   13.283   6.6294  -1.1763   10.020   24.539   8.8408   46.435   20.474   90.633   18.673 -44.19788 27.71019 
1 1 1  -29   20   22 o   46.721   14.195   0.9152   6.4162  -0.5963   9.9445   1.9932   8.3981   46.823   20.528   46.619   19.613 0.2041740 28.39091 
1 1 1  -29   20   23 o   95.866   13.865   28.674   6.9735   19.726   10.490   35.761   9.3350   79.610   23.057  112.121   15.408 -32.51155 27.73093 
1 1 1  -29   20   24 o  142.308   9.6717   57.822   7.2879   51.998   11.108   62.224   9.6566  135.250   15.199  149.366   11.964 -14.11568 19.34336 
1 1 1  -29   20   25 o   48.282   13.559  -0.1353   6.4259 -13.9511   9.6292   10.957   8.6281   34.674   16.778   61.890   21.305 -27.21538 27.11885 
1 1 1  -29   20   26 o  183.917   10.561   93.894   10.496   0.0000   0.0000   93.894   10.496  ?   ?   183.917   10.561      ?      ? 
1 1 1  -29   20   27 o  102.058   13.068   30.782   6.8606   32.091   11.071   29.966   8.7413  102.053   20.782  102.063   15.850 -0.9925842E-02 26.13612 
1 1 1  -29   20   28 o   97.147   16.831   35.330   8.2746   16.392   18.906   39.817   9.2029   76.147   30.419  118.148   14.415 -42.00117 33.66188 
1 1 1  -29   20   29 o   52.511   16.895  -4.5135   8.0046   8.5563   18.715  -7.4399   8.8555   67.956   28.963   37.066   17.403 30.89005 33.78949 
1 1 1  -29   20   30 o  135.482   14.240   60.522   9.1535   76.687   11.952   37.590   14.236  164.148   13.474  106.816   25.090 57.33215 28.47948 
1 1 1  -29   20   31 o   72.734   17.329   16.734   8.0277   15.237   10.751   18.619   12.069   69.758   23.789   75.710   25.205 -5.951981 34.65804 
1 1 1  -29   20   32 o   52.218   15.171   4.4797   6.7371   7.1179   10.760   2.7785   8.6403   56.958   22.880   47.477   19.929 9.481613 30.34226 
1 1 1  -29   20   33 o   53.262   15.301   4.9562   6.7817   9.2829   10.897   2.2211   8.6640   59.930   23.351   46.595   19.778 13.33465 30.60177 
1 1 1  -29   20   34 o   44.873   13.662  -1.5288   6.7466 -13.8926   10.607   6.8724   8.7432   36.443   17.628   53.303   20.876 -16.85960 27.32302 
1 1 1  -29   20   35 o  106.110   13.056   34.678   7.0209   33.324   11.417   35.501   8.9037  101.835   21.426  110.385   14.927 -8.550713 26.11255 
1 1 1  -29   20   36 o  104.348   13.604   34.346   7.2580   31.751   11.544   36.042   9.3338   98.185   22.270  110.510   15.630 -12.32580 27.20735 
1 1 1  -29   20   37 o   82.582   15.044   20.935   6.9142   34.722   11.314   12.717   8.7352  102.623   21.107   62.542   21.442 40.08095 30.08815 
1 1 1  -29   20   38 o   44.741   14.703  -6.8462   8.4422 -12.6417   10.964   1.5944   13.231   37.379   18.043   52.103   23.219 -14.72382 29.40507 
1 1 1  -29   20   39 o   74.046   18.768   18.686   9.6977   25.631   14.398   12.919   13.120   83.192   27.521   64.899   25.525 18.29252 37.53607 
1 1 1  -29   20   40 o   59.043   17.397   4.9920   10.085   17.430   14.147  -7.8626   14.382   71.145   26.888   46.940   22.084 24.20462 34.79427 
1 1 1  -29   20   41 o   77.306   16.418   23.772   8.4831   9.4099   14.664   30.996   10.400   59.183   25.441   95.430   20.759 -36.24727 32.83529 
1 1 1  -29   20   42 o   85.776   16.017   33.618   8.7845   12.432   19.153   39.262   9.8855   60.802   27.446  110.750   16.518 -49.94792 32.03321 
1 1 1  -29   20   43 o   39.801   13.979 -23.0642   10.961 -35.2477   19.791 -17.6734   13.164   41.576   20.816   38.026   18.663 3.549671 27.95708 
1 1 1  -29   20   44 o   68.500   19.328   20.930   11.407   11.759   19.885   25.428   13.927   60.821   27.657   76.180   27.008 -15.35893 38.65668 
1 1 1  -29   20   45 o   76.703   15.646   20.789   7.6488   38.831   12.080   8.7144   9.8823  101.133   22.665   52.272   21.576 48.86098 31.29287 
1 1 1  -29   21    1 o   68.756   15.717   13.757   6.7216   11.248   9.5269   16.244   9.4849   63.938   22.366   73.575   22.088 -9.636616 31.43452 
1 1 1  -29   21    2 o   83.534   15.038   21.098   6.8043   22.066   9.7948   20.195   9.4593   85.370   21.302   81.698   21.232 3.671555 30.07600 
1 1 1  -29   21    3 o  157.414   8.5952   68.721   7.3082   66.157   10.280   71.341   10.392  154.389   12.322  160.439   11.986 -6.049454 17.19043 
1 1 1  -29   21    4 f  126.144   10.321   44.802   7.0061   41.510   10.094   47.863   9.7321  121.396   15.388  130.891   13.760 -9.494980 20.64255 
1 1 1  -29   21    5 o   56.149   15.139   7.1336   6.3996   5.7318   9.3765   8.3560   8.7562   54.449   21.526   57.848   21.292 -3.398911 30.27786 
1 1 1  -29   21    6 o   98.659   13.327   30.792   6.7454   16.674   10.109   42.122   9.0563   74.506   22.896  122.811   13.647 -48.30491 26.65397 
1 1 1  -29   21    7 f  143.326   9.5416   56.756   7.3398   62.336   11.203   52.560   9.7154  149.300   13.886  137.352   13.090 11.94734 19.08312 
1 1 1  -29   21    8 o  157.158   9.0287   68.304   7.6288   72.793   11.501   64.776   10.194  161.595   13.171  152.720   12.353 8.874847 18.05737 
1 1 1  -29   21    9 o   54.251   15.192   5.6805   6.5989   4.8422   9.9382   6.3415   8.8251   54.068   21.893   54.433   21.068 -0.3657341 30.38391 
1 1 1  -29   21   10 o   74.027   14.876   14.933   6.8183   26.671   10.308   5.8014   9.0912   94.057   20.831   53.997   21.244 40.06004 29.75279 
1 1 1  -29   21   11 o   66.810   15.710   12.560   6.6883   16.125   9.8901   9.5562   9.0793   73.298   22.666   60.322   21.760 12.97633 31.42081 
1 1 1  -29   21   12 o   74.878   20.639   14.278   11.799   8.5068   21.100   16.903   14.232   73.318   30.979   76.438   27.281 -3.120575 41.27867 
1 1 1  -29   21   13 o   88.147   21.891   17.400   12.526   43.288   23.378   6.9752   14.835  112.078   34.880   64.216   26.463 47.86236 43.78207 
1 1 1  -29   21   14 o   83.529   19.278   21.913   12.238 -11.1306   23.149   34.730   14.417   62.049   28.803  105.009   25.632 -42.95934 38.55605 
1 1 1  -29   21   15 o   73.636   15.897   16.370   6.9009   17.624   10.076   15.261   9.4705   75.997   22.756   71.274   22.203 4.722977 31.79303 
1 1 1  -29   21   16 o  188.023   7.9415   97.136   7.9524  103.182   12.490   93.014   10.313  192.557   12.004  183.490   10.401 9.067093 15.88308 
1 1 1  -29   21   17 o   74.277   15.210   15.568   6.7133   25.023   10.436   8.8937   8.7683   90.169   21.684   58.385   21.335 31.78484 30.42006 
1 1 1  -29   21   18 o  127.757   10.079   44.996   6.8610   57.006   10.579   36.276   9.0138  142.318   13.756  113.197   14.736 29.12207 20.15889 
1 1 1  -29   21   19 o   66.165   15.028   12.917   6.6077   5.0490   10.203   18.600   8.6717   54.314   22.113   78.015   20.356 -23.70061 30.05564 
1 1 1  -29   21   20 o   72.376   15.616   15.875   6.5730   16.722   10.399   15.311   8.4823   73.816   23.308   70.936   20.788 2.879417 31.23132 
1 1 1  -29   21   21 o   59.823   14.434   8.4802   6.4965  -1.7774   9.5423   17.342   8.8694   44.517   19.786   75.129   21.021 -30.61160 28.86780 
1 1 1  -29   21   22 o  112.334   11.462   36.240   6.9155   36.175   10.339   36.293   9.3028  111.866   17.104  112.802   15.262 -0.9368362 22.92304 
1 1 1  -29   21   23 o   72.532   15.934   16.168   6.8690   17.814   10.336   14.866   9.1926   75.423   23.146   69.640   21.905 5.782585 31.86810 
1 1 1  -29   21   24 o  154.258   9.2522   65.922   7.6359   79.942   11.680   55.458   10.091  168.445   12.833  140.071   13.332 28.37436 18.50436 
1 1 1  -29   21   25 o   78.714   15.384   19.739   6.7775   17.305   10.457   21.502   8.8998   74.074   23.371   83.355   20.012 -9.280975 30.76840 
1 1 1  -29   21   26 o   41.063   13.289  -4.4221   6.6357  -7.1086   10.103  -2.3841   8.7999   40.433   18.855   41.693   18.731 -1.259968 26.57763 
1 1 1  -29   21   27 o  152.634   9.5937   66.473   7.8172   65.309   11.938   67.347   10.343  150.816   14.648  154.452   12.393 -3.636124 19.18736 
1 1 1  -29   21   28 o   84.747   15.465   22.042   7.1088   29.481   11.222   17.056   9.1872   96.174   22.062   73.320   21.677 22.85378 30.92926 
1 1 1  -29   21   29 o   79.952   19.527   12.834   8.0293   40.766   20.706   7.8901   8.7110  104.378   32.882   55.527   21.071 48.85108 39.05414 
1 1 1  -29   21   30 o   85.152   19.407   18.059   8.3259   40.766   19.777   13.168   9.1789  104.857   31.989   65.447   21.983 39.41019 38.81385 
1 1 1  -29   21   31 o   85.940   17.943   24.248   8.7079   21.034   11.019   29.595   14.211   79.646   23.784   92.233   26.873 -12.58752 35.88588 
1 1 1  -29   21   32 o   85.601   18.112   25.070   8.9070   24.335   11.454   26.194   14.166   85.088   23.917   86.113   27.206 -1.025200 36.22393 
1 1 1  -29   21   33 o   45.938   14.450  -1.2750   6.9601   3.2171   11.507  -3.8667   8.7402   52.375   22.526   39.501   18.104 12.87378 28.89949 
1 1 1  -29   21   34 o   68.768   16.244   15.584   7.0432   16.060   10.746   15.225   9.3256   69.443   23.783   68.093   22.131 1.349915 32.48706 
1 1 1  -29   21   35 o   85.425   15.542   24.245   7.1497   28.691   11.133   21.125   9.3276   91.612   22.623   79.238   21.318 12.37456 31.08454 
1 1 1  -29   21   36 o   53.270   16.190   3.3380   8.8787   9.9685   11.549  -6.2432   13.883   59.545   23.780   46.996   21.977 12.54965 32.38004 
1 1 1  -29   21   37 o   76.437   17.022   13.908   10.153   41.081   15.192  -8.0225   13.648  107.203   26.400   45.671   21.495 61.53150 34.04401 
1 1 1  -29   21   38 o   43.884   14.822 -21.1684   10.790   1.0944   14.523 -48.6036   16.122   53.741   24.109   34.026   17.248 19.71496 29.64402 
1 1 1  -29   21   39 o   74.900   18.844   21.902   9.9087   15.836   14.395   27.365   13.660   66.437   26.542   83.364   26.755 -16.92699 37.68737 
1 1 1  -29   21   40 o   48.730   15.043   4.5400   7.5687   0.9479   11.760   7.0801   9.8891   46.528   21.201   50.932   21.347 -4.404110 30.08613 
1 1 1  -29   21   41 o   65.153   18.594   14.204   8.8182   20.824   19.062   12.402   9.9466   70.241   29.549   60.066   22.579 10.17437 37.18856 
1 1 1  -29   21   42 o   57.591   18.338   7.7359   11.263   11.782   20.257   5.9257   13.550   61.748   28.015   53.435   23.671 8.312866 36.67677 
1 1 1  -29   21   43 o   52.474   17.491   1.1218   12.157   11.295   20.415  -4.4685   15.133   58.886   27.233   46.061   21.956 12.82475 34.98115 
1 1 1  -29   22    1 o  219.143   10.361  132.642   12.269   0.0000   0.0000  132.642   12.269  ?   ?   219.143   10.361      ?      ? 
1 1 1  -29   22    2 o   88.574   13.450   23.895   6.6091   36.437   9.3600   11.425   9.3333  113.436   15.270   63.713   22.146 49.72284 26.90020 
1 1 1  -29   22    3 o   56.282   15.390   7.0437   6.6224   7.5590   9.9285   6.6306   8.8885   57.806   22.354   54.759   21.158 3.047325 30.77928 
1 1 1  -29   22    4 o   90.550   14.342   24.813   6.8453   23.578   9.6255   26.077   9.7368   88.095   20.590   93.006   19.970 -4.911560 28.68382 
1 1 1  -29   22    5 o  151.053   9.5683   63.774   7.7839   66.351   11.573   61.645   10.519  153.663   13.937  148.442   13.113 5.221725 19.13666 
1 1 1  -29   22    6 o  165.233   11.781   75.889   10.519   0.0000   0.0000   75.889   10.519  ?   ?   165.233   11.781      ?      ? 
1 1 1  -29   22    7 o   84.270   15.207   21.758   6.9453   22.923   10.041   20.689   9.6166   86.408   21.572   82.131   21.439 4.277542 30.41343 
1 1 1  -29   22    8 o  141.625   9.8262   55.649   7.4692   64.439   11.336   48.906   9.9291  151.390   13.857  131.859   13.935 19.53160 19.65237 
1 1 1  -29   22    9 o   80.003   15.882   19.711   7.1270   20.800   10.560   18.799   9.6585   81.842   22.950   78.164   21.959 3.678291 31.76346 
1 1 1  -29   22   10 o  198.246   14.177  124.641   11.258   99.797   25.434  130.695   12.555  179.235   26.261  217.256   10.694 -38.02121 28.35481 
1 1 1  -29   22   11 o  120.159   20.550   49.198   13.193   39.572   22.644   54.144   16.233  105.934   34.489  134.383   22.355 -28.44834 41.10027 
1 1 1  -29   22   12 o  108.872   22.085   42.141   13.673   32.230   24.766   46.486   16.398   96.902   35.785  120.842   25.892 -23.94046 44.16924 
1 1 1  -29   22   13 o  114.412   11.911   37.645   7.0737   47.506   10.505   29.465   9.5681  129.389   15.025   99.435   18.488 29.95362 23.82296 
1 1 1  -29   22   14 o  114.154   11.470   37.377   7.0247   36.312   10.474   38.247   9.4701  112.250   17.269  116.059   15.100 -3.809639 22.93967 
1 1 1  -29   22   15 o  111.216   12.608   35.285   7.2663   46.587   11.215   27.109   9.5393  127.556   16.271   94.876   19.264 32.67998 25.21626 
1 1 1  -29   22   16 o  123.353   10.978   42.710   7.2582   49.145   11.157   37.988   9.5569  131.195   15.738  115.511   15.311 15.68334 21.95697 
1 1 1  -29   22   17 o  132.306   10.369   48.422   7.3178   59.607   11.438   40.672   9.5214  144.937   14.604  119.675   14.723 25.26118 20.73801 
1 1 1  -29   22   18 o   47.487   14.306   0.7827   6.5261   5.1799   9.7585  -2.7752   8.7778   53.477   21.680   41.498   18.670 11.97926 28.61105 
1 1 1  -29   22   19 o  157.609   9.3409   71.162   7.7368   64.465   12.082   75.817   10.073  150.336   14.873  164.883   11.306 -14.54703 18.68180 
1 1 1  -29   22   20 o   97.546   13.481   28.691   6.8392   32.281   10.072   25.619   9.3166  103.503   18.696   91.589   19.427 11.91443 26.96172 
1 1 1  -29   22   21 o   55.500   15.212   6.7995   6.5415   10.255   9.8396   4.0628   8.7569   61.162   22.562   49.839   20.411 11.32225 30.42435 
1 1 1  -29   22   22 o   47.399   14.186   0.9213   6.6484  -6.0810   9.9728   6.5226   8.9195   41.011   18.990   53.787   21.080 -12.77620 28.37210 
1 1 1  -29   22   23 o  108.718   19.466   36.116   11.016   36.116   11.016   0.0000   0.0000  108.718   19.466  ?   ?       ?      ? 
1 1 1  -29   22   24 o   41.612   13.434  -3.9453   6.6989  -7.3579   10.597  -1.6738   8.6456   41.247   19.260   41.978   18.733 -0.7314987 26.86758 
1 1 1  -29   22   25 o   71.528   16.091   15.048   7.0959   22.955   11.203   9.7498   9.1699   83.842   23.683   59.213   21.790 24.62926 32.18262 
1 1 1  -29   22   26 o   37.065   12.295 -12.9338   6.9725 -31.2493   10.901  -0.2527   9.0706   29.578   14.895   44.551   19.567 -14.97382 24.59065 
1 1 1  -29   22   27 o   90.629   15.641   26.311   7.5498   26.343   11.450   26.286   10.042   89.913   23.356   91.345   20.810 -1.431526 31.28164 
1 1 1  -29   22   28 o  115.942   11.961   39.652   7.4521   40.405   11.164   39.047   10.008  116.433   17.745  115.450   16.042 0.9826202 23.92138 
1 1 1  -29   22   29 o   58.091   15.601   4.9878   7.1921   18.911   11.883  -3.0601   9.0348   75.140   25.010   41.043   18.655 34.09744 31.20131 
1 1 1  -29   22   30 o  149.287   15.897   72.142   9.7204   68.288   21.133   73.176   10.947  138.447   29.169  160.127   12.652 -21.68027 31.79488 
1 1 1  -29   22   31 o   75.468   18.900   19.401   8.9811   16.556   19.475   20.169   10.122   73.104   30.241   77.833   22.679 -4.728416 37.80038 
1 1 1  -29   22   32 o  106.271   15.704   42.431   9.2600   59.525   12.045   17.727   14.480  141.152   15.792   71.390   27.149 69.76205 31.40740 
1 1 1  -29   22   33 o   85.961   18.158   26.816   9.0482   24.588   12.169   29.572   13.532   82.474   25.077   89.448   26.269 -6.973206 36.31648 
1 1 1  -29   22   34 o   44.474   14.699 -10.3126   9.2600   1.8806   12.843 -23.5135   13.363   52.024   23.046   36.925   18.252 15.09892 29.39844 
1 1 1  -29   22   35 o   93.624   19.466   32.167   10.604   26.622   14.577   38.401   15.456   84.729   27.676  102.520   27.382 -17.79094 38.93186 
1 1 1  -29   22   36 f   82.900   18.747   24.410   10.394   37.815   14.934   11.818   14.474  101.777   26.789   64.022   26.233 37.75437 37.49375 
1 1 1  -29   22   37 o   52.925   16.270   4.6427   8.4028   10.450   13.820   1.2365   10.584   59.413   25.086   46.438   20.725 12.97525 32.53974 
1 1 1  -29   22   38 o   55.096   15.275   9.1603   7.3404  -0.1061   11.096   16.372   9.7886   44.729   20.462   65.464   22.684 -20.73560 30.54959 
1 1 1  -29   22   39 o   46.000   14.616   0.5479   7.5295   3.2477   11.368  -1.5622   10.050   49.328   21.775   42.673   19.504 6.655323 29.23294 
1 1 1  -29   22   40 o   50.113   16.764 -12.2598   11.133   16.858   19.341 -26.6892   13.615   65.366   28.643   34.861   17.426 30.50461 33.52726 
1 1 1  -29   22   41 o   59.708   18.638   5.9877   11.584   33.153   19.929  -7.8716   14.235   76.272   30.961   43.143   20.757 33.12875 37.27557 
1 1 1  -29   23    1 o   51.183   14.199   2.1977   6.4381   11.862   9.3262  -6.6009   8.8985   64.159   22.147   38.207   17.776 25.95238 28.39848 
1 1 1  -29   23    2 o   45.364   13.901   0.1462   6.3211   1.7527   8.7508  -1.6066   9.1408   46.963   19.903   43.766   19.412 3.196564 27.80220 
1 1 1  -29   23    3 o   70.207   15.111   13.263   6.8176   24.270   10.346   4.8148   9.0639   88.488   21.783   51.925   20.949 36.56293 30.22192 
1 1 1  -29   23    4 o  118.228   12.233   40.941   7.2762   57.141   10.691   26.960   9.9314  142.311   13.902   94.145   20.132 48.16512 24.46522 
1 1 1  -29   23    5 o   54.298   15.225   4.8189   6.9517   10.662   9.9608  -0.7298   9.7066   62.554   22.757   46.041   20.230 16.51304 30.44932 
1 1 1  -29   23    6 o   80.897   15.463   20.348   7.0164   16.285   9.9807   24.318   9.8656   72.841   22.810   88.953   20.882 -16.11276 30.92531 
1 1 1  -29   23    7 o  133.221   14.793   50.382   10.649   0.0000   0.0000   50.382   10.649  ?   ?   133.221   14.793      ?      ? 
1 1 1  -29   23    8 o   56.043   16.647   2.1844   9.4867 -39.3243   22.395   11.262   10.473   48.119   23.757   63.967   23.325 -15.84738 33.29324 
1 1 1  -29   23    9 o   52.199   17.745 -17.1091   12.849 -17.3559   24.312 -17.0135   15.135   59.354   28.159   45.044   21.602 14.30967 35.49007 
1 1 1  -29   23   10 o   79.345   22.670   15.728   14.024   23.806   25.470   12.214   16.799   87.725   35.214   70.966   28.559 16.75853 45.33937 
1 1 1  -29   23   11 o  123.402   11.313   43.749   7.5314   40.977   10.644   46.528   10.658  119.244   16.519  127.559   15.462 -8.315224 22.62635 
1 1 1  -29   23   12 o   75.325   14.815   17.099   7.1882   28.607   9.9699   4.6408   10.373   96.947   19.703   53.704   22.130 43.24239 29.62990 
1 1 1  -29   23   13 o   64.882   15.658   11.909   6.8793   17.333   9.7481   6.5283   9.7097   74.505   22.398   55.258   21.887 19.24757 31.31614 
1 1 1  -29   23   14 o   99.321   13.875   29.900   7.2830   26.854   10.525   32.699   10.088   92.801   21.423  105.841   17.638 -13.04031 27.75012 
1 1 1  -29   23   15 o  125.687   11.072   45.948   7.4058   41.243   11.067   49.764   9.9664  118.999   17.210  132.375   13.933 -13.37586 22.14314 
1 1 1  -29   23   16 o   82.519   15.385   21.394   6.9500   22.855   10.164   20.112   9.5250   85.067   21.960   79.970   21.554 5.097191 30.77035 
1 1 1  -29   23   17 o   75.749   15.015   17.869   6.9973   8.2461   10.052   26.917   9.7465   58.045   22.480   93.453   19.910 -35.40816 30.02904 
1 1 1  -29   23   18 o   73.932   15.713   16.854   6.8929   22.159   10.238   12.455   9.3225   83.372   22.293   64.491   22.149 18.88098 31.42555 
1 1 1  -29   23   19 o   33.423   11.442 -13.4186   6.3782 -17.4604   8.9442  -9.2365   9.0980   30.631   15.102   36.216   17.194 -5.584787 22.88470 
1 1 1  -29   23   20 o   94.522   14.397   27.287   7.1083   33.872   10.894   22.405   9.3803  104.700   19.984   84.344   20.729 20.35564 28.79326 
1 1 1  -29   23   21 o   95.382   14.865   27.490   7.3924   36.781   11.757   21.416   9.5065  108.622   20.788   82.142   21.255 26.48080 29.73087 
1 1 1  -29   23   22 f  107.447   13.192   34.679   7.4714   35.941   11.113   33.638   10.093  108.060   19.761  106.834   17.482 1.225746 26.38403 
1 1 1  -29   23   23 o   68.685   15.685   12.935   7.0073   23.375   10.965   5.7272   9.1103   84.809   23.238   52.561   21.074 32.24830 31.37078 
1 1 1  -29   23   24 o   46.013   14.111  -0.5356   6.8548  -7.7182   10.204   5.3715   9.2538   39.929   18.726   52.098   21.115 -12.16833 28.22280 
1 1 1  -29   23   25 o   59.742   15.620   8.5935   7.0786   16.740   10.552   1.9281   9.5447   71.745   23.553   47.739   20.523 24.00653 31.24007 
1 1 1  -29   23   26 o   49.870   14.649   2.7816   6.9436  -4.6625   10.336   8.9041   9.3737   42.444   19.539   57.295   21.830 -14.85070 29.29757 
1 1 1  -29   23   27 o   87.580   15.671   24.920   7.3996   27.629   11.064   22.728   9.9527   91.720   22.495   83.439   21.825 8.281654 31.34282 
1 1 1  -29   23   28 o   47.493   14.619   0.3430   7.1210   5.5856   10.589  -3.9858   9.6217   53.663   22.257   41.323   18.960 12.34058 29.23777 
1 1 1  -29   23   29 o   85.255   15.248   22.868   7.7131   40.048   11.827   10.154   10.174  111.489   20.383   59.020   22.682 52.46867 30.49521 
1 1 1  -29   23   30 o   43.092   13.811  -3.3149   7.2984 -12.2040   11.340   2.9714   9.5361   38.349   18.470   47.836   20.538 -9.486721 27.62146 
1 1 1  -29   23   31 o   59.524   19.021   0.3504   11.992   16.097   21.678  -6.5923   14.394   71.446   30.823   47.602   22.298 23.84334 38.04293 
1 1 1  -29   23   32 o  116.133   25.482   47.117   15.552   0.0000   0.0000   47.117   15.552  ?   ?   116.133   25.482      ?      ? 
1 1 1  -29   23   33 o  142.508   20.258   64.077   15.600   64.077   15.600   0.0000   0.0000  142.508   20.258  ?   ?       ?      ? 
1 1 1  -29   23   34 o   47.455   21.991  -3.9977   13.413  -3.9977   13.413   0.0000   0.0000   47.455   21.991  ?   ?       ?      ? 
1 1 1  -29   23   35 o   69.502   18.189   17.868   8.5781   26.869   15.181   13.647   10.397   77.715   28.122   61.289   23.076 16.42691 36.37805 
1 1 1  -29   23   36 o   56.851   16.061   10.701   7.6969   5.9574   11.533   14.511   10.335   51.378   22.323   62.325   23.097 -10.94643 32.12152 
1 1 1  -29   23   37 o   78.275   15.883   21.229   7.5366   33.557   11.499   11.947   9.9783   97.127   22.372   59.423   22.552 37.70466 31.76567 
1 1 1  -29   23   38 o   59.925   18.441   3.8394   9.1154   33.604   20.466  -3.5262   10.181   79.257   31.654   40.593   18.929 38.66476 36.88169 
1 1 1  -29   23   39 o   53.559   17.523   5.4599   11.652   3.1126   20.358   6.6036   14.211   54.300   25.763   52.819   23.760 1.480740 35.04647 
1 1 1  -29   24    1 o  110.680   11.283   35.384   6.7472   36.087   9.5564   34.685   9.5275  111.840   15.813  109.519   16.099 2.320724 22.56606 
1 1 1  -29   24    2 o   72.314   15.687   16.098   6.8263   20.510   9.9324   12.149   9.3975   80.494   22.142   64.135   22.226 16.35981 31.37312 
1 1 1  -29   24    3 o   57.422   15.178   7.7751   6.7832   1.0287   10.041   13.438   9.1998   48.341   20.916   66.504   21.999 -18.16360 30.35543 
1 1 1  -29   24    4 o  174.180   8.7312   84.941   8.1021  105.465   11.906   67.238   11.057  194.229   11.344  154.130   13.276 40.09827 17.46249 
1 1 1  -29   24    5 o   54.085   15.236   5.8841   6.7189   3.6850   9.1935   8.4053   9.8438   50.072   20.751   58.098   22.315 -8.025906 30.47217 
1 1 1  -29   24    6 o   68.775   20.542   7.5955   13.881  -6.8108   21.567   17.784   18.137   60.401   27.953   77.149   30.108 -16.74894 41.08356 
1 1 1  -29   24    7 o   51.190   17.493 -19.5120   13.681 -25.7207   24.386 -16.6599   16.528   55.049   26.653   47.331   22.665 7.718529 34.98679 
1 1 1  -29   24    8 o  100.995   23.350   37.980   14.694   32.365   25.516   40.766   17.974   93.850   35.955  108.141   29.802 -14.29068 46.70034 
1 1 1  -29   24    9 o   76.511   22.522   18.582   9.9370   18.582   9.9370   0.0000   0.0000   76.511   22.522  ?   ?       ?      ? 
1 1 1  -29   24   10 o  160.873   9.1660   73.356   7.9411   66.778   11.239   79.915   11.222  153.311   13.566  168.435   12.330 -15.12390 18.33200 
1 1 1  -29   24   11 o   71.779   16.147   16.224   7.0477   16.455   10.035   15.999   9.9006   72.215   22.906   71.344   22.765 0.8708115 32.29490 
1 1 1  -29   24   12 o   99.046   20.374   30.450   10.540   0.0000   0.0000   30.450   10.540  ?   ?    99.046   20.374      ?      ? 
1 1 1  -29   24   13 o   96.346   14.179   28.916   7.3120   39.142   10.426   19.018   10.257  115.742   16.670   76.950   22.940 38.79229 28.35776 
1 1 1  -29   24   14 o   38.171   12.752  -9.3723   6.9506  -5.7021   9.9555 -12.8625   9.7083   41.131   19.020   35.210   16.991 5.921402 25.50434 
1 1 1  -29   24   15 o   45.854   14.266  -0.7835   6.8947   2.6837   10.086  -3.8249   9.4464   50.077   21.301   41.630   18.982 8.446770 28.53105 
1 1 1  -29   24   16 o   92.059   14.806   26.440   7.2457   33.305   10.691   20.608   9.8543  103.899   19.764   80.219   22.050 23.68076 29.61115 
1 1 1  -29   24   17 o  105.818   13.297   34.185   7.3420   29.446   10.679   38.433   10.111   96.812   21.016  114.824   16.296 -18.01212 26.59331 
1 1 1  -29   24   18 o   40.614   13.198  -4.7167   6.6256  -5.1647   9.5681  -4.3040   9.1839   40.676   18.752   40.552   18.575 0.1241150 26.39505 
1 1 1  -29   24   19 o   51.703   14.791   2.1842   7.1607  -7.7700   10.198   11.865   10.057   39.932   18.726   63.475   22.901 -23.54268 29.58225 
1 1 1  -29   24   20 o   51.102   15.142   3.3234   7.1077   7.1502   10.423  -0.0025   9.7174   56.224   22.542   45.981   20.222 10.24361 30.28302 
1 1 1  -29   24   21 o   81.078   16.135   20.824   7.4870   28.994   11.492   14.798   9.8689   94.037   22.842   68.120   22.794 25.91670 32.26983 
1 1 1  -29   24   22 o   57.056   16.078   7.9075   7.4776   6.0689   11.232   9.3709   10.021   55.436   22.952   58.676   22.520 -3.239513 32.15507 
1 1 1  -29   24   23 o   64.194   16.217   12.693   7.1235   13.607   10.054   11.771   10.094   65.774   22.978   62.613   22.890 3.161022 32.43341 
1 1 1  -29   24   24 o   56.119   15.633   7.4265   7.0082   11.212   10.498   4.3836   9.4124   61.814   23.205   50.424   20.955 11.38931 31.26618 
1 1 1  -29   24   25 o   45.116   14.156  -3.1871   7.2212   6.0673   10.664 -11.0243   9.8136   54.107   22.380   36.124   17.343 17.98251 28.31298 
1 1 1  -29   24   26 o   45.514   14.429  -1.0388   7.4544  -5.1023   11.009   2.4017   10.130   42.722   19.842   48.306   20.955 -5.583736 28.85820 
1 1 1  -29   24   27 o   44.716   14.089  -3.9682   7.5052 -15.0956   10.702   6.8000   10.528   35.344   17.236   54.088   22.292 -18.74364 28.17766 
1 1 1  -29   24   28 o   66.261   17.805   14.264   8.7043   13.656   11.319   15.144   13.616   64.856   24.144   67.666   26.175 -2.810219 35.61024 
1 1 1  -29   24   29 o   58.393   17.961   5.6471   10.593   4.4595   14.985   6.8333   14.977   57.290   25.156   59.496   25.644 -2.205566 35.92218 
1 1 1  -29   24   30 o  133.926   16.388   59.391   11.613   59.369   16.182   59.414   16.675  135.348   22.126  132.504   24.181 2.844803 32.77570 
1 1 1  -29   24   31 o   54.188   17.018   2.7693   9.9589   1.3745   13.783   4.2928   14.405   52.514   23.528   55.861   24.593 -3.347130 34.03524 
1 1 1  -29   24   32 o   38.618   18.581 -10.4060   11.411   0.0000   0.0000 -10.4060   11.411  ?   ?    38.618   18.581      ?      ? 
1 1 1  -29   24   33 o   44.128   15.318 -11.8249   9.4820   1.2383   19.903 -15.6602   10.785   54.295   25.676   33.961   16.712 20.33414 30.63600 
1 1 1  -29   24   34 o   42.552   14.501 -14.6459   9.4569 -25.0789   12.111   1.6516   15.137   32.983   16.479   52.121   23.865 -19.13804 29.00139 
1 1 1  -29   24   35 o   91.873   18.421   33.438   9.4081   33.299   11.688   33.694   15.856   95.834   22.885   87.911   28.872 7.923088 36.84180 
1 1 1  -29   24   36 o   37.227   12.753 -10.8003   7.8454  -7.8343   11.692 -13.2292   10.581   39.777   19.052   34.678   16.960 5.098835 25.50686 
1 1 1  -29   25    1 o   55.237   15.379   6.9582   6.7908   4.9823   9.7600   8.8124   9.4544   52.541   21.536   57.933   21.960 -5.392418 30.75771 
1 1 1  -29   25    2 o  113.929   12.301   38.902   7.2587   46.397   10.263   31.400   10.268  126.878   14.969  100.981   19.523 25.89606 24.60121 
1 1 1  -29   25    3 o   73.217   14.708   14.164   7.2387   30.781   10.926   1.1630   9.6641   98.986   21.073   47.448   20.525 51.53781 29.41627 
1 1 1  -29   25    4 o   70.832   21.660   8.8396   14.985   15.966   23.466   3.9324   19.472   77.267   32.660   64.396   28.459 12.87107 43.31987 
1 1 1  -29   25    5 o   84.970   23.014   24.124   14.473   30.856   23.282   19.885   18.477   91.199   34.487   78.741   30.482 12.45765 46.02744 
1 1 1  -29   25    6 o   52.309   17.921 -21.9986   14.918 -20.1486   24.521 -23.0856   18.796   56.906   27.344   47.712   23.170 9.193825 35.84117 
1 1 1  -29   25    7 o   43.891   13.760  -2.5597   6.8004   3.3996   9.2889  -9.4427   9.9830   49.564   20.725   38.218   18.106 11.34644 27.52040 
1 1 1  -29   25    8 o  153.165   9.5310   66.743   7.8844   64.066   10.977   69.596   11.332  149.955   13.547  156.374   13.411 -6.418289 19.06191 
1 1 1  -29   25    9 o   81.569   16.011   21.267   7.4299   26.625   10.758   16.379   10.274   91.321   22.050   71.816   23.220 19.50578 32.02124 
1 1 1  -29   25   10 o   74.436   14.717   16.935   6.9578   27.981   9.8233   5.8149   9.8564   95.029   19.774   53.843   21.803 41.18606 29.43384 
1 1 1  -29   25   11 o   61.988   16.367   10.759   7.3756   9.9360   10.640   11.520   10.233   60.888   23.244   63.087   23.049 -2.199127 32.73434 
1 1 1  -29   25   12 o   51.595   14.732   2.5160   6.9236  -5.7267   9.5489   11.653   10.053   40.082   18.568   63.109   22.878 -23.02701 29.46421 
1 1 1  -29   25   13 o  116.963   12.818   41.298   7.8364   35.467   11.081   47.132   11.084  106.943   19.907  126.982   16.153 -20.03915 25.63662 
1 1 1  -29   25   14 f   54.570   15.088   4.1195   7.3179  -6.5015   10.408   14.501   10.291   41.267   19.208   67.873   23.273 -26.60577 30.17618 
1 1 1  -29   25   15 o   34.878   11.977 -14.9834   7.1034 -10.2050   10.221 -19.4478   9.8793   37.970   18.083   31.786   15.709 6.183559 23.95365 
1 1 1  -29   25   16 o   59.171   15.571   7.8192   7.5391  -2.7488   10.910   17.477   10.430   45.381   20.578   72.961   23.375 -27.57972 31.14251 
1 1 1  -29   25   17 o   56.018   15.977   7.1726   7.4253   7.6742   11.048   6.7593   10.028   57.283   23.122   54.753   22.054 2.529572 31.95361 
1 1 1  -29   25   18 o  109.194   13.351   36.454   7.6884   40.723   11.224   32.680   10.553  116.432   17.840  101.956   19.869 14.47571 26.70265 
1 1 1  -29   25   19 o   56.214   16.094   7.1699   7.6250   5.4993   11.081   8.6724   10.508   54.422   22.686   58.007   22.834 -3.584789 32.18817 
1 1 1  -29   25   20 o   85.704   16.288   24.635   7.6948   24.055   11.417   25.118   10.416   84.118   23.961   87.290   22.070 -3.171890 32.57581 
1 1 1  -29   25   21 o   96.721   15.693   30.788   8.0402   36.928   11.967   25.735   10.856  106.182   21.591   87.260   22.778 18.92213 31.38540 
1 1 1  -29   25   22 o   56.600   15.964   8.1771   7.4520   11.987   10.783   4.6936   10.311   61.923   23.457   51.276   21.660 10.64670 31.92774 
1 1 1  -29   25   23 o   40.285   13.365  -9.5826   7.6202   0.4034   10.974 -18.8811   10.590   47.401   21.133   33.170   16.369 14.23085 26.73064 
1 1 1  -29   25   24 o   54.590   15.960   4.6643   7.8575   13.534   12.174  -1.6689   10.287   64.867   24.839   44.312   20.048 20.55456 31.92024 
1 1 1  -29   25   25 o   65.822   17.953   10.549   9.5589   0.6396   12.467   24.685   14.890   50.395   22.492   81.248   27.987 -30.85248 35.90528 
1 1 1  -29   25   26 o  118.966   17.614   49.029   11.140   56.126   15.368   41.171   16.170  132.185   21.515  105.747   27.896 26.43835 35.22862 
1 1 1  -29   25   27 o  145.029   14.758   67.076   11.564   68.423   16.401   65.743   16.308  146.664   20.695  143.394   21.046 3.270477 29.51679 
1 1 1  -29   25   28 o   80.687   20.184   25.730   11.053   27.410   14.718   23.559   16.737   84.023   27.827   77.351   29.243 6.672073 40.36699 
1 1 1  -29   25   29 o   49.757   15.609  -1.2892   8.7193   13.505   13.507 -11.8594   11.417   61.883   25.347   37.631   18.224 24.25221 31.21784 
1 1 1  -29   25   30 o   57.209   16.079   10.503   7.9757   2.5170   11.632   17.587   10.957   47.770   21.492   66.648   23.920 -18.87749 32.15707 
1 1 1  -29   25   31 o   65.765   15.031   8.8991   7.8888   32.858   12.224  -8.2014   10.327   93.690   24.029   37.840   18.064 55.85056 30.06222 
1 1 1  -29   25   32 o   56.153   16.198   9.2105   7.7384   12.138   11.612   6.8715   10.379   60.021   23.883   52.285   21.889 7.736607 32.39691 
1 1 1  -29   25   33 o   51.842   16.053   5.3075   9.2337 -15.7770   19.200   11.651   10.532   46.086   22.603   57.599   22.800 -11.51231 32.10513 
1 1 1  -29   25   34 o   90.040   20.166   30.907   9.4631   57.185   20.549   23.834   10.661  103.134   32.786   76.947   23.489 26.18723 40.33144 
1 1 1  -29   26    1 o   84.871   20.496   25.866   10.394   21.640   24.680   26.778   11.460   80.091   33.654   89.652   23.405 -9.561066 40.99248 
1 1 1  -29   26    2 o   60.444   19.745  -3.3582   15.259 -20.6351   26.853   4.8806   18.544   58.083   28.084   62.805   27.763 -4.721943 39.49097 
1 1 1  -29   26    3 o   95.108   23.450   24.397   16.313   71.149   28.017   0.4167   20.066  129.046   37.770   61.170   27.803 67.87592 46.89955 
1 1 1  -29   26    4 o  141.125   15.930   58.839   9.7958   54.946   11.037   73.288   21.264  137.394   14.866  144.855   28.180 -7.461426 31.86025 
1 1 1  -29   26    5 f  135.015   11.050   53.380   8.0532   56.822   11.621   50.201   11.170  139.323   15.437  130.706   15.815 8.617203 22.09970 
1 1 1  -29   26    6 o   53.967   15.682   5.2302   7.4490   9.4922   10.852   1.4333   10.243   59.632   23.284   48.303   21.012 11.32913 31.36354 
1 1 1  -29   26    7 o   50.149   14.597   2.2914   7.0180   10.349   9.5986  -6.9636   10.287   59.881   22.245   40.417   18.906 19.46389 29.19428 
1 1 1  -29   26    8 o  105.145   13.696   34.726   7.4971   40.449   10.323   28.338   10.906  116.995   16.329   93.294   21.992 23.70145 27.39128 
1 1 1  -29   26    9 o   89.794   15.717   26.531   7.5877   28.091   10.293   24.674   11.230   93.667   20.870   85.922   23.506 7.745354 31.43384 
1 1 1  -29   26   10 o   49.596   14.833   2.3914   7.1185   7.4305   9.8139  -3.2036   10.341   55.448   21.990   43.745   19.912 11.70287 29.66618 
1 1 1  -29   26   11 o   99.106   14.479   30.859   7.6635   21.159   10.478   42.017   11.238   79.804   23.023  118.407   17.564 -38.60296 28.95776 
1 1 1  -29   26   12 o   45.516   14.379  -1.3729   7.3070   1.6447   10.030  -4.7856   10.667   48.073   20.852   42.960   19.803 5.112915 28.75729 
1 1 1  -29   26   13 o   50.805   15.107   2.4629   7.3166  -3.5805   10.023   9.3585   10.706   42.581   19.468   59.029   23.105 -16.44842 30.21341 
1 1 1  -29   26   14 o   82.769   16.573   23.237   7.7561   24.238   10.903   22.213   11.036   84.765   23.150   80.772   23.723 3.993408 33.14664 
1 1 1  -29   26   15 o   91.704   16.322   28.559   8.1238   32.115   11.525   25.047   11.453   98.250   22.228   85.157   23.908 13.09281 32.64457 
1 1 1  -29   26   16 o   55.951   16.229   7.4697   7.8309   8.6518   11.463   6.4353   10.723   57.783   23.472   54.119   22.418 3.663677 32.45780 
1 1 1  -29   26   17 o   86.409   16.804   26.091   8.0778   27.963   11.884   24.483   11.013   89.061   24.105   83.758   23.420 5.303230 33.60878 
1 1 1  -29   26   18 o   48.263   15.018   0.0606   7.9394  -7.3649   11.469   6.8941   11.002   41.774   19.674   54.752   22.696 -12.97858 30.03597 
1 1 1  -29   26   19 o   94.006   16.047   30.135   8.0625   28.903   11.599   31.287   11.215   91.454   23.380   96.557   21.987 -5.102821 32.09469 
1 1 1  -29   26   20 o   46.319   14.550  -6.6507   8.1302   9.2243   11.790 -21.0423   11.226   58.942   23.853   33.695   16.669 25.24741 29.10079 
1 1 1  -29   26   21 o   44.542   14.806  -7.1927   8.8968  -6.2896   11.335  -8.6419   14.358   42.627   19.909   46.458   21.920 -3.831619 29.61201 
1 1 1  -29   26   22 o  126.987   15.413   50.189   11.238   8.4932   14.512  112.635   17.760   60.854   25.701  193.120   17.019 -132.2657 30.82517 
1 1 1  -29   26   23 o   94.436   19.101   33.056   11.258   48.198   15.873   17.730   15.969  117.068   25.788   71.803   28.186 45.26508 38.20279 
1 1 1  -29   26   24 o  126.933   17.181   56.827   11.391   79.437   16.322   35.360   15.904  158.769   19.025   95.097   28.614 63.67206 34.36144 
1 1 1  -29   26   25 o   83.590   20.047   29.490   10.764   28.063   14.591   31.194   15.945   82.164   27.715   85.015   28.971 -2.850677 40.09333 
1 1 1  -29   26   26 o   45.536   14.969  -3.0564   8.7775   4.6757   13.591  -8.5890   11.497   51.835   23.284   39.236   18.819 12.59850 29.93835 
1 1 1  -29   26   27 o   55.626   15.244   5.8549   8.1099 -11.4419   11.874   20.979   11.103   38.365   18.581   72.887   24.171 -34.52140 30.48741 
1 1 1  -29   26   28 o   63.021   16.474   12.641   8.1084   22.778   11.719   3.3316   11.231   76.794   24.796   49.248   21.697 27.54560 32.94817 
1 1 1  -29   26   29 o   52.299   15.570   4.8731   8.3070  -7.2006   12.888   13.453   10.865   43.028   20.439   61.570   23.492 -18.54150 31.13910 
1 1 1  -29   26   30 o   45.024   14.379  -1.5378   8.0886 -13.7444   12.250   7.8973   10.770   37.522   18.329   52.525   22.160 -15.00286 28.75799 
1 1 1  -29   26   31 o   53.663   15.938   7.3048   8.0113   17.038   12.377   0.2853   10.510   63.710   24.869   43.617   19.939 20.09267 31.87536 
1 1 1  -29   27    1 o   64.130   20.725   4.9558   16.392  -7.5586   26.656   12.565   20.786   60.503   28.922   67.757   29.692 -7.253830 41.45024 
1 1 1  -29   27    2 o   41.594   13.657  -5.8386   7.5452  -0.7251   10.230 -11.9381   11.173   45.004   20.209   38.184   18.376 6.819744 27.31453 
1 1 1  -29   27    3 o   90.532   15.282   27.835   7.3751   30.141   9.8738   24.926   11.092   96.573   19.591   84.491   23.461 12.08211 30.56480 
1 1 1  -29   27    4 o   56.342   15.775   8.5168   7.0972   6.8664   9.4842   10.617   10.699   53.025   21.416   59.659   23.168 -6.634708 31.55024 
1 1 1  -29   27    5 o   47.732   14.283  -2.7632   7.0812 -13.7892   9.2963   12.478   10.930   32.877   16.039   62.587   23.638 -29.70944 28.56610 
1 1 1  -29   27    6 o   59.358   15.979   10.724   7.1211   11.951   9.5022   9.1522   10.755   61.175   22.232   57.542   22.958 3.633598 31.95783 
1 1 1  -29   27    7 o   54.187   15.619   7.1444   7.2138   7.8754   9.8725   6.3071   10.567   54.875   21.960   53.499   22.215 1.375450 31.23718 
1 1 1  -29   27    8 o  100.739   14.377   32.389   7.6744   23.958   10.267   43.063   11.553   83.659   22.305  117.819   18.146 -34.16019 28.75344 
1 1 1  -29   27    9 o   96.425   14.895   31.415   7.7330   38.516   10.557   23.196   11.359  111.992   17.445   80.857   24.149 31.13416 29.79090 
1 1 1  -29   27   10 o   97.678   14.593   32.306   7.8400   47.405   11.062   17.066   11.113  125.225   16.347   70.130   24.178 55.09560 29.18552 
1 1 1  -29   27   11 o   66.794   16.563   14.892   7.5801   18.702   10.471   10.696   10.987   73.489   23.408   60.100   23.439 13.38928 33.12626 
1 1 1  -29   27   12 o   51.985   15.684   4.3942   7.7851   5.4384   10.667   3.2042   11.387   52.781   22.149   51.190   22.211 1.591240 31.36782 
1 1 1  -29   27   13 o   51.480   15.378   3.7216   7.6453   8.9751   10.445  -2.3409   11.221   57.403   22.712   45.558   20.739 11.84498 30.75610 
1 1 1  -29   27   14 o   45.688   14.468  -1.9431   7.6502   3.9751   10.380  -8.9799   11.319   50.752   21.599   40.625   19.256 10.12666 28.93612 
1 1 1  -29   27   15 o   50.988   15.667   2.5406   8.0116   0.2552   10.782   5.3585   11.972   47.349   21.038   54.627   23.221 -7.277935 31.33409 
1 1 1  -29   27   16 f  124.060   14.764   46.919   9.4640   38.570   11.877   61.441   15.664  109.121   20.903  138.998   20.855 -29.87745 29.52754 
1 1 1  -29   27   17 o  163.151   15.265   79.891   11.367   34.392   14.428  154.324   18.455   97.514   26.631  228.788   14.927 -131.2741 30.52914 
1 1 1  -29   27   18 o   46.542   15.244 -10.4108   9.9503   4.8401   13.427 -28.9865   14.819   55.622   24.127   37.463   18.639 18.15816 30.48767 
1 1 1  -29   27   19 o   43.664   14.723 -12.7662   9.9858  -2.6509   13.531 -24.8649   14.798   48.653   22.382   38.675   19.134 9.978539 29.44606 
1 1 1  -29   27   20 o   79.707   19.461   25.504   10.114   22.516   13.400   29.459   15.419   75.518   26.520   83.896   28.490 -8.377876 38.92260 
1 1 1  -29   27   21 o   59.394   17.947   10.257   10.262   3.6104   13.567   19.144   15.689   51.326   23.140   67.461   27.438 -16.13523 35.89307 
1 1 1  -29   27   22 o   43.123   14.347  -5.2980   8.5790   1.7099   12.790 -11.0300   11.567   48.400   22.075   37.845   18.331 10.55437 28.69420 
1 1 1  -29   27   23 o   44.627   14.474  -1.7778   8.0445   3.1074   11.346  -6.7157   11.407   48.618   21.593   40.636   19.281 7.982048 28.94898 
1 1 1  -29   27   24 o   54.078   16.238   7.2280   8.2844   8.8260   11.752   5.6495   11.680   55.924   23.342   52.232   22.579 3.692432 32.47585 
1 1 1  -29   27   25 o   49.625   15.244   1.7680   8.0938   11.444   11.613  -7.3713   11.286   58.982   23.742   40.268   19.128 18.71389 30.48881 
1 1 1  -29   27   26 o   98.581   16.242   36.262   8.4918   35.193   12.239   37.255   11.792   96.109   23.712  101.052   22.201 -4.942856 32.48354 
1 1 1  -29   27   27 o   50.004   15.463   4.9727   7.9958   10.664   11.927   0.3272   10.776   55.851   23.429   44.158   20.188 11.69360 30.92643 
1 1 1  -29   28    1 o   75.263   15.893   19.724   7.7881   27.995   10.241   8.3780   11.994   92.345   20.997   58.181   23.864 34.16438 31.78625 
1 1 1  -29   28    2 o   60.832   16.734   10.847   7.9094   12.017   10.441   9.2700   12.117   62.212   23.183   59.453   24.139 2.759609 33.46832 
1 1 1  -29   28    3 o   46.224   14.606  -0.3145   7.3862   0.5938   9.6092  -1.6261   11.547   45.557   20.070   46.891   21.225 -1.334713 29.21134 
1 1 1  -29   28    4 f   77.023   16.396   20.609   7.6019   24.664   10.182   15.501   11.427   85.912   21.874   68.134   24.431 17.77765 32.79278 
1 1 1  -29   28    5 o   71.227   16.623   17.339   7.5539   20.077   10.176   13.980   11.274   76.803   22.839   65.652   24.161 11.15062 33.24688 
1 1 1  -29   28    6 o  133.720   11.315   53.465   8.1130   53.647   10.864   53.236   12.198  134.823   14.913  132.618   17.021 2.204498 22.63000 
1 1 1  -29   28    7 o   57.779   14.454   4.7812   7.5927   21.202   10.214 -15.4964   11.351   78.857   22.727   36.701   17.865 42.15619 28.90783 
1 1 1  -29   28    8 o   37.644   12.717 -10.9425   7.3915  -5.6253   10.135 -16.9839   10.803   40.586   18.912   34.701   17.006 5.884327 25.43381 
1 1 1  -29   28    9 o   39.533   13.256  -8.9348   7.6515  -5.9016   10.548 -12.3029   11.115   41.147   19.214   37.920   18.269 3.227425 26.51274 
1 1 1  -29   28   10 o   43.181   20.553  -9.9459   13.163   0.0000   0.0000  -9.9459   13.163  ?   ?    43.181   20.553      ?      ? 
1 1 1  -29   28   11 o   88.723   17.702   29.178   8.9739   32.410   11.910   24.932   13.649   96.515   23.137   80.931   26.797 15.58405 35.40361 
1 1 1  -29   28   12 o   65.320   15.244   8.8297   8.8173   30.473   11.992 -16.6419   13.009   91.918   23.915   38.722   18.909 53.19695 30.48719 
1 1 1  -29   28   13 o   80.110   17.402   25.046   9.3546   36.374   12.703   11.626   13.827   99.659   23.898   60.561   25.302 39.09871 34.80343 
1 1 1  -29   28   14 o   82.472   18.996   28.449   9.6682   27.342   12.904   29.865   14.599   81.824   25.977   83.120   27.723 -1.296288 37.99184 
1 1 1  -29   28   15 o   92.416   17.425   32.302   10.076   14.070   13.208   57.680   15.583   61.256   25.074  123.575   24.203 -62.31936 34.84968 
1 1 1  -29   28   16 o   77.282   18.608   26.342   9.9979   33.626   13.376   17.122   15.050   90.133   26.016   64.430   26.613 25.70301 37.21690 
1 1 1  -29   28   17 f   83.921   17.576   28.797   8.9078   21.824   13.415   34.296   11.914   71.969   26.375   95.873   23.239 -23.90331 35.15221 
1 1 1  -29   28   18 o   47.249   14.802  -0.2542   7.8688  -8.7439   10.820   9.2753   11.464   38.456   18.395   56.043   23.194 -17.58756 29.60325 
1 1 1  -29   28   19 o   68.416   17.396   17.699   8.1984   17.702   11.397   17.696   11.802   68.520   24.417   68.311   24.784 0.2091827 34.79112 
1 1 1  -29   28   20 o   57.264   16.610   10.115   8.2122   10.117   11.344   10.113   11.904   57.114   23.292   57.414   23.688 -0.3001709 33.22092 
1 1 1  -29   28   21 f   50.868   15.275   2.8727   8.1953   14.735   11.422  -9.7120   11.765   62.553   24.035   39.183   18.857 23.36940 30.54909 
1 1 1  -29   28   22 o   65.257   16.934   16.261   8.4508   7.3284   11.863   25.465   12.041   52.426   22.709   78.089   25.126 -25.66304 33.86784 
1 1 1  -29   28   23 o   67.761   17.111   19.117   8.1333   23.449   11.335   14.520   11.677   74.989   24.401   60.534   23.993 14.45568 34.22112 
1 1 1  -29   29    1 f   46.584   14.881   0.9862   7.8705   3.7945   9.4983  -5.1667   14.059   47.214   20.386   45.953   21.685 1.260086 29.76252 
1 1 1  -29   29    2 o   52.850   15.744   6.7578   8.1246   11.688   9.8946  -3.4459   14.235   58.482   22.394   47.218   22.136 11.26431 31.48782 
1 1 1  -29   29    3 f   59.135   16.832   10.380   9.2558   19.660   12.108  -2.6644   14.356   70.426   25.160   47.843   22.366 22.58325 33.66353 
1 1 1  -29   29    4 o   49.970   15.970   0.6456   9.2069  -5.6824   12.151   9.1779   14.109   42.676   20.145   57.265   24.785 -14.58951 31.93931 
1 1 1  -29   29    5 o   98.484   17.946   39.003   9.9149   45.968   13.249   30.135   14.948  113.541   22.390   83.428   28.053 30.11336 35.89214 
1 1 1  -29   29    6 o   65.173   16.861   8.9822   8.8280  -4.9685   11.096   33.041   14.572   41.513   19.488   88.832   27.520 -47.31931 33.72112 
1 1 1  -29   29    7 o   38.891   13.370 -13.3092   8.4859 -16.9527   10.868  -7.6171   13.584   33.942   16.717   43.840   20.871 -9.898212 26.74042 
1 1 1  -29   29    8 f   52.321   16.309   4.1740   8.8178   0.8041   11.376   9.2455   13.956   46.907   21.165   57.734   24.819 -10.82767 32.61765 
1 1 1  -29   29    9 o   54.888   16.281   7.1635   8.7423   13.658   11.211  -2.9144   13.965   62.164   23.829   47.612   22.191 14.55184 32.56134 
1 1 1  -29   29   10 o   54.633   16.709   6.6444   8.8203   4.9820   11.208   9.3491   14.296   51.019   22.086   58.247   25.080 -7.227867 33.41869 
1 1 1  -29   29   11 o   42.179   13.851  -6.9865   8.0122   3.7590   11.257 -18.0187   11.406   49.748   21.825   34.609   17.061 15.13955 27.70202 
1 1 1  -29   29   12 f   60.751   16.066   10.596   8.1796   22.398   11.448  -1.7125   11.691   76.309   24.494   45.194   20.796 31.11555 32.13145 
1 1 1  -29   29   13 o   48.539   15.117   3.1581   7.6972   0.9160   10.464   5.8019   11.363   45.427   20.416   51.651   22.299 -6.224094 30.23340 
1 1 1  -29   29   14 o   52.807   15.751   6.6694   7.8229   1.6235   10.592   12.724   11.603   45.917   20.595   59.698   23.837 -13.78140 31.50174 
1 1 1  -29   29   15 o  117.901   13.398   46.733   8.5183   45.444   11.634   48.223   12.507  116.772   18.437  119.031   19.445 -2.259010 26.79607 
1 1 1  -29   29   16 o   72.575   17.373   21.509   8.1494   17.297   10.938   26.766   12.218   65.448   23.841   79.703   25.275 -14.25502 34.74554 
1 1 1  -29   29   17 o   36.631   12.590 -11.1482   7.8510 -12.4623   10.721  -9.6281   11.530   35.125   17.156   38.137   18.431 -3.011497 25.17974 
1 1 1  -28    0    1 o  153.813   6.5825   64.659   7.6723   64.659   7.6723   64.659   7.6723  153.813   9.3090  153.813   9.3090 0.000000 0.000000 
1 1 1  -28    0    2 o  194.143   5.9394  102.457   8.7743  102.457   8.7743  102.457   8.7743  194.143   8.3996  194.143   8.3996 0.000000 0.000000 
1 1 1  -28    0    3 o  918.285   11.200  2284.37   78.541  2284.37   78.541  2284.37   78.541  918.285   15.839  918.285   15.839 0.000000 0.000000 
1 1 1  -28    0    4 o  330.029   5.5369  294.905   13.947  294.905   13.947  294.905   13.947  330.029   7.8303  330.029   7.8303 0.000000 0.000000 
1 1 1  -28    0    5 o  570.740   7.4502  881.695   32.470  881.695   32.470  881.695   32.470  570.740   10.536  570.740   10.536 0.000000 0.000000 
1 1 1  -28    0    6 o  659.265   8.3615  1176.60   42.095  1176.60   42.095  1176.60   42.095  659.265   11.825  659.265   11.825 0.000000 0.000000 
1 1 1  -28    0    7 o  105.371   9.9047   31.591   7.5817   31.591   7.5817   31.591   7.5817  105.371   14.007  105.371   14.007 0.000000 0.000000 
1 1 1  -28    0    8 o  163.016   9.6734   73.401   11.855   73.401   11.855   73.401   11.855  163.016   13.680  163.016   13.680 0.000000 0.000000 
1 1 1  -28    0    9 o  156.244   9.9862   67.658   11.700   67.658   11.700   67.658   11.700  156.244   14.123  156.244   14.123 0.000000 0.000000 
1 1 1  -28    0   10 f  158.304   10.246   69.505   12.156   69.505   12.156   69.505   12.156  158.304   14.490  158.304   14.490 0.000000 0.000000 
1 1 1  -28    0   11 o  411.302   8.4880  458.784   26.628  458.784   26.628  458.784   26.628  411.302   12.004  411.302   12.004 0.000000 0.000000 
1 1 1  -28    0   12 o  491.399   6.6910  653.655   25.105  653.655   25.105  653.655   25.105  491.399   9.4626  491.399   9.4626 0.000000 0.000000 
1 1 1  -28    0   13 o   27.622   12.922  -1.7555   7.1232  -1.7555   7.1232  -1.7555   7.1232   27.622   18.275   27.622   18.275 0.000000 0.000000 
1 1 1  -28    0   14 o  927.445   11.326  2331.48   80.221  2331.48   80.221  2331.48   80.221  927.445   16.018  927.445   16.018 0.000000 0.000000 
1 1 1  -28    0   15 o  754.857   9.4038  1543.41   54.208  1543.41   54.208  1543.41   54.208  754.857   13.299  754.857   13.299 0.000000 0.000000 
1 1 1  -28    0   16 o  386.798   5.9142  405.054   17.463  405.054   17.463  405.054   17.463  386.798   8.3640  386.798   8.3640 0.000000 0.000000 
1 1 1  -28    0   17 o  140.869   7.7329   54.639   8.2092   54.639   8.2092   54.639   8.2092  140.869   10.936  140.869   10.936 0.000000 0.000000 
1 1 1  -28    0   18 o   70.671   16.164   17.192   7.7152   17.192   7.7152   17.192   7.7152   70.671   22.860   70.671   22.860 0.000000 0.000000 
1 1 1  -28    0   19 o  159.493   7.2096   69.650   8.7049   69.650   8.7049   69.650   8.7049  159.493   10.196  159.493   10.196 0.000000 0.000000 
1 1 1  -28    0   20 o   33.898   14.719   2.4923   7.3606   2.4923   7.3606   2.4923   7.3606   33.898   20.816   33.898   20.816 0.000000 0.000000 
1 1 1  -28    0   21 o  149.071   7.3445   60.994   8.2735   60.994   8.2735   60.994   8.2735  149.071   10.387  149.071   10.387 0.000000 0.000000 
1 1 1  -28    0   22 o  394.182   6.0066  420.806   18.075  420.806   18.075  420.806   18.075  394.182   8.4947  394.182   8.4947 0.000000 0.000000 
1 1 1  -28    0   23 o  285.923   5.6795  221.605   12.388  221.605   12.388  221.605   12.388  285.923   8.0320  285.923   8.0320 0.000000 0.000000 
1 1 1  -28    0   24 o  355.009   5.8186  341.412   15.766  341.412   15.766  341.412   15.766  355.009   8.2287  355.009   8.2287 0.000000 0.000000 
1 1 1  -28    0   25 o  117.900   8.7888   38.885   7.7172   38.885   7.7172   38.885   7.7172  117.900   12.429  117.900   12.429 0.000000 0.000000 
1 1 1  -28    0   26 o  507.306   6.9460  697.363   26.906  697.363   26.906  697.363   26.906  507.306   9.8232  507.306   9.8232 0.000000 0.000000 
1 1 1  -28    0   27 o  493.276   6.8084  659.398   25.643  659.398   25.643  659.398   25.643  493.276   9.6286  493.276   9.6286 0.000000 0.000000 
1 1 1  -28    0   28 o  238.040   9.1585  155.000   16.547  155.000   16.547  155.000   16.547  238.040   12.952  238.040   12.952 0.000000 0.000000 
1 1 1  -28    0   31 o  321.587   5.7260  280.481   14.052  280.481   14.052  280.481   14.052  321.587   8.0977  321.587   8.0977 0.000000 0.000000 
1 1 1  -28    0   32 o  169.127   6.6445   78.211   8.5271   78.211   8.5271   78.211   8.5271  169.127   9.3968  169.127   9.3968 0.000000 0.000000 
1 1 1  -28    0   33 o  269.146   5.6716  196.644   11.642  196.644   11.642  196.644   11.642  269.146   8.0209  269.146   8.0209 0.000000 0.000000 
1 1 1  -28    0   34 o  193.003   6.2221  101.538   9.1337  101.538   9.1337  101.538   9.1337  193.003   8.7994  193.003   8.7994 0.000000 0.000000 
1 1 1  -28    0   35 o   21.773   10.850  -8.2456   7.1460  -8.2456   7.1460  -8.2456   7.1460   21.773   15.344   21.773   15.344 0.000000 0.000000 
1 1 1  -28    0   36 o  106.770   10.421   32.781   8.0410   32.781   8.0410   32.781   8.0410  106.770   14.737  106.770   14.737 0.000000 0.000000 
1 1 1  -28    0   37 o   34.205   14.634   3.1635   7.0422   3.1635   7.0422   3.1635   7.0422   34.205   20.696   34.205   20.696 0.000000 0.000000 
1 1 1  -28    0   38 o  143.173   7.4471   56.579   8.0467   56.579   8.0467   56.579   8.0467  143.173   10.532  143.173   10.532 0.000000 0.000000 
1 1 1  -28    0   39 o   55.645   16.802   12.159   7.2844   12.159   7.2844   12.159   7.2844   55.645   23.762   55.645   23.762 0.000000 0.000000 
1 1 1  -28    0   40 o  127.885   8.3230   45.670   7.9756   45.670   7.9756   45.670   7.9756  127.885   11.771  127.885   11.771 0.000000 0.000000 
1 1 1  -28    0   41 o  350.971   5.8079  334.892   15.558  334.892   15.558  334.892   15.558  350.971   8.2136  350.971   8.2136 0.000000 0.000000 
1 1 1  -28    0   42 o  404.726   6.1658  445.622   19.050  445.622   19.050  445.622   19.050  404.726   8.7198  404.726   8.7198 0.000000 0.000000 
1 1 1  -28    0   43 o  129.551   8.1788   46.887   7.9487   46.887   7.9487   46.887   7.9487  129.551   11.567  129.551   11.567 0.000000 0.000000 
1 1 1  -28    0   44 o   89.049   12.636   24.324   7.6253   24.324   7.6253   24.324   7.6253   89.049   17.870   89.049   17.870 0.000000 0.000000 
1 1 1  -28    0   45 o  162.494   6.8336   72.717   8.4171   72.717   8.4171   72.717   8.4171  162.494   9.6642  162.494   9.6642 0.000000 0.000000 
1 1 1  -28    0   46 o  138.898   8.3662   54.000   8.7320   54.000   8.7320   54.000   8.7320  138.898   11.832  138.898   11.832 0.000000 0.000000 
1 1 1  -28    0   47 o   41.186   16.150   6.8253   7.4766   6.8253   7.4766   6.8253   7.4766   41.186   22.839   41.186   22.839 0.000000 0.000000 
1 1 1  -28    0   48 o   52.356   17.558   11.566   7.9857   11.566   7.9857   11.566   7.9857   52.356   24.831   52.356   24.831 0.000000 0.000000 
1 1 1  -28    0   49 f  222.704   6.1641  135.949   10.454  135.949   10.454  135.949   10.454  222.704   8.7174  222.704   8.7174 0.000000 0.000000 
1 1 1  -28    0   50 o  239.893   6.3042  157.883   11.521  157.883   11.521  157.883   11.521  239.893   8.9154  239.893   8.9154 0.000000 0.000000 
1 1 1  -28    0   51 o  226.725   6.3616  141.208   10.983  141.208   10.983  141.208   10.983  226.725   8.9967  226.725   8.9967 0.000000 0.000000 
1 1 1  -28    0   52 o  160.621   7.7270   71.935   9.3838   71.935   9.3838   71.935   9.3838  160.621   10.928  160.621   10.928 0.000000 0.000000 
1 1 1  -28    0   53 o   82.408   14.814   22.604   8.0661   22.604   8.0661   22.604   8.0661   82.408   20.950   82.408   20.950 0.000000 0.000000 
1 1 1  -28    0   54 o  207.501   6.4881  118.857   10.242  118.857   10.242  118.857   10.242  207.501   9.1755  207.501   9.1755 0.000000 0.000000 
1 1 1  -28    0   55 o   23.432   11.746  -9.9990   8.7973  -9.9990   8.7973  -9.9990   8.7973   23.432   16.612   23.432   16.612 0.000000 0.000000 
1 1 1  -28    0   58 o   44.939   17.667   9.9328   8.9732   9.9328   8.9732   9.9328   8.9732   44.939   24.985   44.939   24.985 0.000000 0.000000 
1 1 1  -28    0   59 o   32.387   14.917   1.2448   8.9431   1.2448   8.9431   1.2448   8.9431   32.387   21.095   32.387   21.095 0.000000 0.000000 
1 1 1  -28    0   60 f  141.402   10.251   59.717   10.811   59.717   10.811   59.717   10.811  141.402   14.498  141.402   14.498 0.000000 0.000000 
1 1 1  -28    1    1 o  216.053   5.4059  126.179   6.3101  123.495   8.8278  128.982   9.0230  213.705   7.6445  218.401   7.6456 -4.696106 10.81174 
1 1 1  -28    1    2 o  562.118   7.3295  854.830   22.259  864.617   31.845  845.480   31.126  565.259   10.426  558.978   10.305 6.280823 14.65908 
1 1 1  -28    1    3 o  578.247   7.4926  904.636   23.408  892.704   32.763  917.080   33.456  574.357   10.556  582.138   10.636 -7.781860 14.98513 
1 1 1  -28    1    4 o  257.950   5.3873  179.868   7.5076  182.430   10.753  177.432   10.486  259.740   7.6615  256.160   7.5758 3.580109 10.77455 
1 1 1  -28    1    5 o  450.224   6.3188  548.133   15.370  539.708   21.501  556.940   21.981  446.689   8.9075  453.760   8.9648 -7.071442 12.63769 
1 1 1  -28    1    6 o   42.207   12.621  -0.3270   5.0734   2.7376   7.1928  -3.3612   7.1571   46.644   18.717   37.769   16.936 8.874435 25.24183 
1 1 1  -28    1    7 o  171.515   6.5735   79.528   6.0776   87.352   8.7308   72.171   8.4655  179.702   8.9911  163.329   9.5918 16.37300 13.14695 
1 1 1  -28    1    8 o  335.965   6.7421  300.636   11.478  292.133   13.893  318.919   20.372  328.672   7.8225  343.258   10.983 -14.58542 13.48423 
1 1 1  -28    1    9 f  415.134   7.5921  460.520   15.706  481.757   28.667  451.411   18.775  421.748   12.579  408.520   8.5050 13.22748 15.18419 
1 1 1  -28    1   10 o  417.427   8.5802  471.344   19.354   0.0000   0.0000  471.344   19.354  ?   ?   417.427   8.5802      ?      ? 
1 1 1  -28    1   11 o   85.658   13.856   18.475   6.0501   13.405   7.3239   29.369   10.736   69.160   19.009  102.156   20.164 -32.99622 27.71174 
1 1 1  -28    1   12 o  336.710   6.8816  308.661   11.892  312.806   14.728  300.901   20.154  340.066   8.0150  333.354   11.189 6.712372 13.76321 
1 1 1  -28    1   13 o  344.173   5.6470  320.349   10.501  324.678   14.992  316.179   14.713  346.455   8.0080  341.892   7.9641 4.562500 11.29406 
1 1 1  -28    1   14 o  287.993   7.9787  224.349   12.417   0.0000   0.0000  224.349   12.417  ?   ?   287.993   7.9787      ?      ? 
1 1 1  -28    1   15 o  457.139   6.4441  565.247   15.914  574.499   22.831  556.504   22.194  460.772   9.1698  453.507   9.0565 7.265503 12.88814 
1 1 1  -28    1   16 o  211.632   5.9981  121.127   6.8579  117.820   9.6047  124.566   9.7951  208.685   8.5174  214.579   8.4476 -5.893860 11.99616 
1 1 1  -28    1   17 o  583.106   7.5939  920.713   23.927  922.069   33.892  919.366   33.786  583.533   10.748  582.679   10.730 0.8535156 15.18774 
1 1 1  -28    1   19 o  140.039   7.6351   53.085   5.7751   51.286   8.0322   55.011   8.3092  137.584   10.804  142.494   10.791 -4.909592 15.27011 
1 1 1  -28    1   20 o  433.167   6.2400  507.923   14.605  513.090   20.761  502.860   20.550  435.348   8.8252  430.986   8.8241 4.361603 12.47994 
1 1 1  -28    1   21 o  277.529   5.5954  207.979   8.3804  217.610   12.240  199.480   11.498  283.559   7.9881  271.499   7.8375 12.06039 11.19084 
1 1 1  -28    1   22 o  380.684   5.9256  392.316   12.189  391.038   17.331  393.568   17.145  380.065   8.4386  381.303   8.3212 -1.238007 11.85123 
1 1 1  -28    1   23 o  419.196   6.1788  475.563   13.992  465.154   19.504  486.599   20.084  414.476   8.7085  423.916   8.7676 -9.440369 12.35752 
1 1 1  -28    1   24 o  350.615   5.8055  332.792   10.999  327.707   15.480  337.975   15.629  347.909   8.2343  353.322   8.1861 -5.412842 11.61105 
1 1 1  -28    1   25 o  553.115   7.3629  829.292   22.001  842.318   31.546  816.956   30.699  557.330   10.475  548.900   10.350 8.430542 14.72570 
1 1 1  -28    1   26 o  606.188   7.8919  997.437   25.851  995.892   36.557  998.982   36.561  605.716   11.169  606.659   11.153 -0.9429932 15.78389 
1 1 1  -28    1   27 o   97.843   11.283   26.504   5.7214   33.871   8.3885   20.097   7.8235  111.525   13.919   84.161   17.761 27.36395 22.56550 
1 1 1  -28    1   28 o  124.427   18.839   42.477   12.667   0.0000   0.0000   42.477   12.667  ?   ?   124.427   18.839      ?      ? 
1 1 1  -28    1   30 o  151.083   15.445   62.432   12.610   0.0000   0.0000   62.432   12.610  ?   ?   151.083   15.445      ?      ? 
1 1 1  -28    1   31 o  101.748   11.003   30.013   5.6182   38.558   7.7271   20.430   8.1831  118.957   12.021   84.539   18.433 34.41772 22.00608 
1 1 1  -28    1   32 o  191.763   6.3915   99.888   6.6193  104.191   9.3952   95.646   9.3273  195.882   8.8761  187.644   9.1989 8.238388 12.78298 
1 1 1  -28    1   33 o   97.201   10.031   25.802   5.2617   27.750   7.6269   24.032   7.2684  100.709   14.015   93.693   14.356 7.016357 20.06301 
1 1 1  -28    1   34 o  210.367   5.9686  120.066   6.7802  122.646   9.8084  117.706   9.3830  212.517   8.5412  208.218   8.3394 4.299072 11.93723 
1 1 1  -28    1   35 o  347.612   5.7953  327.915   10.880  319.229   15.093  337.312   15.699  342.835   8.1470  352.389   8.2443 -9.554169 11.59059 
1 1 1  -28    1   36 o  220.787   5.9820  132.500   7.1335  126.914   9.9960  138.298   10.183  216.029   8.5630  225.544   8.3552 -9.515579 11.96391 
1 1 1  -28    1   37 o  348.109   5.7552  328.755   10.814  311.909   14.897  347.521   15.723  338.702   8.1396  357.515   8.1387 -18.81317 11.51046 
1 1 1  -28    1   38 o  136.400   7.6219   50.757   5.6060   46.320   7.7584   55.604   8.1093  130.138   11.033  142.663   10.519 -12.52541 15.24379 
1 1 1  -28    1   39 o  151.166   7.2923   62.438   5.9012   51.665   8.1573   74.266   8.5476  137.373   10.989  164.960   9.5891 -27.58673 14.58454 
1 1 1  -28    1   40 o   59.398   12.264   7.8664   5.1096   18.717   7.4226  -1.9063   7.0443   80.224   17.606   38.572   17.078 41.65184 24.52813 
1 1 1  -28    1   41 o  117.854   8.5717   38.336   5.4506   36.803   7.8133   39.790   7.6075  115.477   12.521  120.231   11.710 -4.753937 17.14340 
1 1 1  -28    1   42 o  158.783   6.9836   69.097   5.9873   69.362   8.3149   68.811   8.6286  159.147   9.6687  158.420   10.080 0.7267303 13.96715 
1 1 1  -28    1   43 o  311.007   5.7134  263.927   9.5984  269.163   13.802  259.023   13.357  313.971   8.1353  308.043   8.0243 5.927155 11.42685 
1 1 1  -28    1   44 o  102.353   10.606   30.318   5.4893   40.396   7.8692   20.766   7.6611  120.695   12.066   84.010   17.447 36.68441 21.21235 
1 1 1  -28    1   45 o   62.448   13.927   11.305   5.2842   12.908   7.4573   9.6891   7.4888   66.007   19.533   58.888   19.855 7.119522 27.85309 
1 1 1  -28    1   46 o  243.844   5.8251  162.868   7.6709  166.031   11.076  159.952   10.634  246.079   8.3295  241.609   8.1452 4.469986 11.65014 
1 1 1  -28    1   47 o  208.511   6.3666  119.569   7.1651  119.023   9.8893  120.171   10.396  208.096   8.7946  208.926   9.2081 -0.8299713 12.73317 
1 1 1  -28    1   48 o  141.572   8.0385   55.866   6.1464   57.103   8.6251   54.590   8.7610  143.249   11.143  139.896   11.589 3.353638 16.07703 
1 1 1  -28    1   49 o  131.093   8.7195   48.207   6.1477   42.201   8.5056   54.777   8.8958  122.333   12.867  139.852   11.771 -17.51961 17.43904 
1 1 1  -28    1   50 o  110.033   9.9988   35.064   5.7934   43.584   8.1859   26.514   8.2003  124.393   12.178   95.673   15.862 28.72014 19.99769 
1 1 1  -28    1   51 o  165.647   7.2414   76.442   6.4800   77.137   9.2892   75.784   9.0441  166.333   10.335  164.960   10.146 1.372772 14.48288 
1 1 1  -28    1   52 o  113.778   10.253   37.279   6.2896   40.387   8.9695   34.273   8.8221  118.689   13.985  108.867   14.997 9.821945 20.50567 
1 1 1  -28    1   53 o  127.277   8.7957   46.008   6.0361   42.036   8.3125   50.439   8.7793  121.356   12.676  133.198   12.198 -11.84109 17.59146 
1 1 1  -28    1   54 o   31.271   10.700 -14.6992   5.6585 -24.9602   7.8272  -3.4661   8.1896   24.175   12.228   38.367   17.562 -14.19150 21.39981 
1 1 1  -28    1   55 o   96.288   13.364   29.677   6.7027   28.897   9.5681   30.429   9.3925   94.649   19.361   97.928   18.426 -3.279099 26.72711 
1 1 1  -28    1   58 o  132.280   10.316   53.926   7.3367   47.347   10.132   61.178   10.638  123.066   15.236  141.495   13.913 -18.42873 20.63276 
1 1 1  -28    1   59 o  158.332   8.6953   73.276   7.3965   84.835   10.881   63.348   10.085  170.360   11.820  146.305   12.756 24.05530 17.39061 
1 1 1  -28    1   60 o  149.119   9.2984   67.996   7.4091   79.008   10.537   57.229   10.420  162.528   11.998  135.710   14.209 26.81853 18.59686 
1 1 1  -28    2    1 o  203.624   5.6552  112.105   6.2182  106.445   8.7192  117.963   8.8704  198.391   8.1333  208.856   7.8597 -10.46477 11.31045 
1 1 1  -28    2    2 f   70.875   12.513   14.196   4.7931   12.583   6.8385   15.752   6.7199   67.029   18.346   74.722   17.023 -7.692612 25.02695 
1 1 1  -28    2    3 o  608.155   7.8044  1000.96   25.646  991.455   36.066  1010.68   36.476  605.236   11.028  611.074   11.046 -5.838135 15.60877 
1 1 1  -28    2    4 o  467.324   6.4839  590.652   16.369  595.678   23.476  585.896   22.836  469.253   9.2581  465.395   9.0803 3.857697 12.96784 
1 1 1  -28    2    5 o  528.307   7.0383  753.460   20.057  782.845   29.449  728.039   27.391  537.878   10.132  518.736   9.7718 19.14246 14.07651 
1 1 1  -28    2    6 o  450.863   6.3444  549.391   15.446  561.910   22.362  537.968   21.360  455.764   9.0798  445.962   8.8636 9.802887 12.68884 
1 1 1  -28    2    7 o  699.354   10.739  1329.43   38.473  1336.80   47.464  1315.31   65.697  702.576   12.502  696.132   17.465 6.443848 21.47832 
1 1 1  -28    2    8 o  447.380   6.3335  541.379   15.310  532.708   21.530  550.248   21.775  443.756   8.9787  451.005   8.9349 -7.248901 12.66691 
1 1 1  -28    2    9 o  656.323   10.173  1174.11   34.263  1147.07   58.102  1188.52   42.424  650.148   16.538  662.497   11.851 -12.34900 20.34584 
1 1 1  -28    2   10 o  399.618   7.3934  428.993   14.814  440.991   26.628  423.616   17.827  403.501   12.213  395.735   8.3367 7.765991 14.78675 
1 1 1  -28    2   11 o  425.031   7.6004  481.839   16.127  507.883   29.391  470.621   19.290  432.971   12.562  417.091   8.5588 15.87997 15.20074 
1 1 1  -28    2   12 o  282.890   6.8008  216.994   9.8265  217.863   12.080  215.293   16.896  283.806   7.8767  281.974   11.089 1.832520 13.60162 
1 1 1  -28    2   13 o  338.520   6.9206  311.521   11.995  314.484   14.804  305.856   20.467  340.970   8.0346  336.069   11.271 4.900208 13.84125 
1 1 1  -28    2   14 o  105.355   9.6984   30.058   5.4984   33.957   7.9361   26.458   7.6251  111.934   13.121   98.776   14.286 13.15777 19.39685 
1 1 1  -28    2   15 o   52.736   12.435   2.7854   5.3613  -8.9059   7.5623   14.599   7.6018   33.454   15.822   72.017   19.188 -38.56253 24.87039 
1 1 1  -28    2   16 o  346.499   5.6957  324.779   10.664  323.926   15.056  325.637   15.108  346.043   8.0517  346.956   8.0583 -0.9125977 11.39146 
1 1 1  -28    2   17 o  611.903   7.8974  1013.95   26.109  1002.70   36.539  1025.69   37.321  608.442   11.113  615.364   11.224 -6.922363 15.79487 
1 1 1  -28    2   18 o  354.152   5.7936  339.371   11.087  340.747   15.735  338.015   15.625  354.864   8.2057  353.440   8.1811 1.423981 11.58728 
1 1 1  -28    2   19 o  425.048   6.2277  488.088   14.286  470.250   19.618  508.228   20.846  416.805   8.7103  433.291   8.9033 -16.48633 12.45547 
1 1 1  -28    2   20 o   80.306   12.282   18.166   5.3720   10.556   7.5299   26.054   7.6664   62.679   19.838   97.934   14.487 -35.25415 24.56459 
1 1 1  -28    2   21 o   85.913   12.247   21.176   5.6634   33.345   8.1064   9.5727   7.9156  110.823   13.537   61.004   20.414 49.81888 24.49452 
1 1 1  -28    2   22 o  142.497   7.8290   55.069   6.0250   57.148   8.5169   52.985   8.5244  145.200   10.855  139.793   11.285 5.406815 15.65808 
1 1 1  -28    2   23 o  321.802   5.6457  280.276   9.8166  283.201   13.983  277.432   13.785  323.456   7.9999  320.147   7.9684 3.309021 11.29132 
1 1 1  -28    2   24 o  101.990   10.024   28.373   5.4953   25.018   7.7653   31.739   7.7779   95.893   14.986  108.087   13.317 -12.19427 20.04780 
1 1 1  -28    2   25 o  236.462   5.8641  151.464   7.4893  152.678   10.454  150.185   10.734  237.445   8.1478  235.479   8.4359 1.965973 11.72823 
1 1 1  -28    2   26 o  404.543   6.1530  443.260   13.447  451.522   19.282  435.436   18.763  408.206   8.7416  400.879   8.6617 7.326965 12.30610 
1 1 1  -28    2   27 o  328.267   7.0456  291.897   11.788  290.999   14.435  293.694   20.422  327.733   8.1512  328.802   11.494 -1.068390 14.09127 
1 1 1  -28    2   28 o  320.663   11.722  279.504   20.312   0.0000   0.0000  279.504   20.312  ?   ?   320.663   11.722      ?      ? 
1 1 1  -28    2   30 o  186.536   13.098   94.865   13.202   0.0000   0.0000   94.865   13.202  ?   ?   186.536   13.098      ?      ? 
1 1 1  -28    2   31 o  164.180   6.9675   73.231   6.1798   74.213   8.8590   72.299   8.6249  165.246   9.9212  163.113   9.7853 2.132278 13.93497 
1 1 1  -28    2   32 o  141.932   7.6267   54.841   5.8475   56.533   8.2827   53.160   8.2564  144.130   10.635  139.735   10.935 4.395111 15.25332 
1 1 1  -28    2   33 f  218.155   5.9900  129.214   7.0565  128.303   10.147  130.066   9.8198  217.390   8.6379  218.919   8.3010 -1.529007 11.98000 
1 1 1  -28    2   34 o  217.428   5.8975  128.415   6.9256  124.323   9.8198  132.465   9.7691  213.960   8.4934  220.895   8.1842 -6.935181 11.79491 
1 1 1  -28    2   35 o  249.207   5.8792  168.715   7.9114  177.449   11.271  160.233   11.108  255.589   8.1608  242.825   8.4653 12.76382 11.75840 
1 1 1  -28    2   36 o  229.710   5.9472  143.564   7.3754  136.604   10.432  150.520   10.429  224.105   8.6143  235.316   8.2018 -11.21074 11.89432 
1 1 1  -28    2   37 o  104.543   10.441   30.542   5.6261   22.914   7.7213   39.175   8.2146   89.597   16.558  119.488   12.723 -29.89061 20.88132 
1 1 1  -28    2   38 o  405.952   6.1608  448.623   13.512  452.595   19.320  444.820   18.905  407.690   8.7698  404.214   8.6552 3.476257 12.32154 
1 1 1  -28    2   39 o  185.415   6.3821   93.588   6.3826   96.049   9.3612   91.449   8.7252  187.651   9.2319  183.179   8.8147 4.471909 12.76428 
1 1 1  -28    2   40 o  278.673   5.6651  211.316   8.5261  203.141   11.837  220.131   12.291  273.075   8.0217  284.271   8.0016 -11.19608 11.33024 
1 1 1  -28    2   41 o  190.363   6.1116   98.609   6.2767  104.983   9.1896   93.036   8.5936  196.104   8.6720  184.622   8.6140 11.48218 12.22312 
1 1 1  -28    2   42 o  156.456   9.6050   67.034   8.1204   67.034   8.1204   0.0000   0.0000  156.456   9.6050  ?   ?       ?      ? 
1 1 1  -28    2   43 o   94.550   10.965   25.536   5.3458   33.131   7.7805   18.745   7.3573  109.199   13.186   79.901   17.523 29.29739 21.92963 
1 1 1  -28    2   44 o   62.932   13.876   11.522   5.2271   11.491   7.5195   11.550   7.2712   62.921   19.815   62.942   19.430 -0.2173233E-01 27.75148 
1 1 1  -28    2   45 o   46.118   13.075   2.5245   5.1891  -1.7025   7.2581   6.9443   7.4218   39.053   17.311   53.183   19.599 -14.13029 26.14936 
1 1 1  -28    2   46 o  167.878   6.9889   76.585   6.2920   66.649   8.3404   89.707   9.5854  155.415   9.9312  180.342   9.8362 -24.92648 13.97787 
1 1 1  -28    2   47 o  121.821   9.0889   42.106   5.8993   36.000   8.6044   47.522   8.1037  112.938   14.099  130.704   11.474 -17.76607 18.17788 
1 1 1  -28    2   48 o  110.267   9.8881   35.175   5.7279   27.008   8.2983   42.607   7.9160   97.059   15.822  123.474   11.864 -26.41502 19.77627 
1 1 1  -28    2   49 o   82.846   12.611   20.597   5.6258   14.760   7.8622   26.721   8.0535   69.262   19.932   96.430   15.456 -27.16739 25.22256 
1 1 1  -28    2   50 o   89.457   11.912   23.923   5.5606   16.481   7.6912   32.071   8.0486   72.953   19.236  105.961   14.057 -33.00892 23.82462 
1 1 1  -28    2   51 o   49.199   13.495   4.0634   5.5209   10.023   7.8868  -1.6629   7.7309   58.686   20.360   39.713   17.719 18.97305 26.99067 
1 1 1  -28    2   52 o  139.023   8.7870   54.777   6.6007   53.986   9.2795   55.587   9.3910  137.999   12.444  140.047   12.409 -2.048935 17.57403 
1 1 1  -28    2   53 o   94.305   11.894   26.696   5.8938   22.669   8.1566   31.096   8.5258   85.489   18.214  103.121   15.300 -17.63220 23.78772 
1 1 1  -28    2   54 o   58.543   14.695   10.062   5.9252   6.9449   8.1097   13.631   8.6781   52.083   20.186   65.004   21.360 -12.92089 29.38905 
1 1 1  -28    2   55 o   71.630   16.862   17.887   7.4751   16.592   13.255   18.491   9.0519   69.210   26.056   74.049   21.410 -4.839294 33.72370 
1 1 1  -28    2   58 o   66.424   13.399   14.031   6.5388  -1.1665   9.3047   28.858   9.1909   41.013   18.754   91.836   19.141 -50.82299 26.79717 
1 1 1  -28    2   59 o   93.389   13.918   30.221   6.9330   37.564   9.5140   21.906   10.124  109.775   16.039   77.002   22.752 32.77349 27.83656 
1 1 1  -28    2   60 o  152.945   8.8451   70.624   7.2963   65.929   10.294   75.364   10.343  147.279   12.935  158.611   12.068 -11.33200 17.69024 
1 1 1  -28    3    1 o  311.911   6.7019  262.181   10.686  260.032   13.107  266.441   18.453  310.082   7.8224  313.741   10.884 -3.658325 13.40377 
1 1 1  -28    3    2 o  427.249   6.1176  493.791   14.123  491.219   20.067  496.315   19.879  426.143   8.7145  428.355   8.5883 -2.211731 12.23528 
1 1 1  -28    3    3 o  580.981   7.5404  913.465   23.669  918.800   33.795  908.328   33.161  582.639   10.734  579.323   10.593 3.316467 15.08073 
1 1 1  -28    3    4 o  471.757   6.4958  601.876   16.556  589.566   23.166  614.729   23.671  466.829   9.1833  476.686   9.1897 -9.857758 12.99163 
1 1 1  -28    3    5 o  360.969   5.7298  352.055   11.166  360.084   16.207  344.800   15.406  364.877   8.2201  357.060   7.9846 7.816986 11.45967 
1 1 1  -28    3    6 o  621.340   9.6919  1054.06   31.131  1074.17   38.945  1018.47   51.811  629.888   11.442  612.792   15.647 17.09613 19.38387 
1 1 1  -28    3    7 o  285.943   6.5782  224.088   9.7255  231.634   12.218  211.036   16.068  292.661   7.7257  279.225   10.649 13.43524 13.15637 
1 1 1  -28    3    8 o  380.350   7.0450  391.448   13.659  391.667   23.631  391.338   16.738  380.327   11.498  380.373   8.1432 -0.4666138E-01 14.08990 
1 1 1  -28    3    9 o  388.137   5.9684  407.654   12.513  396.095   17.734  419.115   17.659  382.648   8.5766  393.626   8.3023 -10.97803 11.93676 
1 1 1  -28    3   10 o  399.306   5.9933  431.358   12.929  430.060   18.450  432.610   18.124  398.710   8.5635  399.901   8.3873 -1.191040 11.98665 
1 1 1  -28    3   11 o  395.714   7.4081  409.870   14.322  456.757   27.439  392.313   16.791  410.601   12.367  380.828   8.1594 29.77271 14.81616 
1 1 1  -28    3   12 o  553.312   7.3304  826.683   21.871  859.756   32.211  798.392   29.791  563.531   10.578  543.092   10.151 20.43939 14.66089 
1 1 1  -28    3   13 o  674.241   10.476  1233.01   36.028  1232.73   44.185  1233.56   62.238  674.570   12.121  673.912   17.091 0.6585083 20.95290 
1 1 1  -28    3   14 o  339.919   5.7439  312.196   10.544  301.317   14.617  323.999   15.225  333.753   8.1050  346.085   8.1412 -12.33221 11.48787 
1 1 1  -28    3   15 o  445.369   6.3483  536.721   15.278  536.152   21.671  537.284   21.542  445.132   9.0096  445.607   8.9462 -0.4746094 12.69669 
1 1 1  -28    3   16 o  168.295   6.7782   76.637   6.1625   75.655   8.5973   77.676   8.8379  167.188   9.5163  169.402   9.6548 -2.214417 13.55633 
1 1 1  -28    3   17 o  331.241   5.6901  295.583   10.163  318.829   14.961  275.668   13.848  343.280   8.0655  319.202   8.0285 24.07770 11.38024 
1 1 1  -28    3   18 o  520.974   7.0188  734.891   19.757  726.456   27.700  743.625   28.188  517.935   9.8972  524.012   9.9547 -6.077393 14.03752 
1 1 1  -28    3   19 o  344.946   5.7201  321.512   10.654  307.045   14.737  337.349   15.419  336.830   8.0968  353.062   8.0820 -16.23175 11.44014 
1 1 1  -28    3   20 o  241.877   5.7876  158.113   7.5586  152.222   10.443  164.595   10.954  237.154   8.1492  246.600   8.2204 -9.446411 11.57518 
1 1 1  -28    3   21 o  515.515   6.9833  719.867   19.452  724.861   27.696  715.005   27.326  517.275   9.9085  513.755   9.8431 3.519897 13.96659 
1 1 1  -28    3   22 o  234.750   5.8732  148.807   7.4408  141.189   10.222  157.392   10.852  228.377   8.2833  241.122   8.3286 -12.74533 11.74644 
1 1 1  -28    3   23 o  338.056   5.7989  309.390   10.593  310.199   14.974  308.578   14.987  338.500   8.1864  337.612   8.2153 0.8879089 11.59777 
1 1 1  -28    3   24 o  305.502   5.7575  252.536   9.5015  260.418   13.642  245.111   13.241  310.129   8.1403  300.875   8.1444 9.253357 11.51501 
1 1 1  -28    3   25 o  174.054   6.8358   81.999   6.4240   86.491   9.2854   77.875   8.8968  178.622   9.6201  169.486   9.7143 9.136658 13.67164 
1 1 1  -28    3   26 o  320.493   5.7993  278.079   10.040  284.967   14.436  271.626   13.973  324.331   8.2368  316.655   8.1661 7.675476 11.59869 
1 1 1  -28    3   27 o  457.086   9.2499  568.587   22.846  567.793   32.431  569.369   32.189  456.754   13.140  457.417   13.023 -0.6631470 18.49987 
1 1 1  -28    3   28 o   66.626   24.607   9.8671   11.711   0.0000   0.0000   9.8671   11.711  ?   ?    66.626   24.607      ?      ? 
1 1 1  -28    3   30 o  298.613   8.1955  242.719   13.218  233.333   18.621  252.252   18.766  292.759   11.771  304.467   11.406 -11.70755 16.39098 
1 1 1  -28    3   31 o  106.394   10.117   31.086   5.7893   32.480   7.9328   29.498   8.4681  109.031   13.464  103.758   15.104 5.273270 20.23383 
1 1 1  -28    3   32 o  152.597   7.4052   63.394   6.1023   61.217   8.6695   65.532   8.5910  149.976   10.698  155.219   10.243 -5.242279 14.81045 
1 1 1  -28    3   33 o  247.381   5.8040  166.053   7.7570  164.711   10.845  167.459   11.099  246.366   8.1463  248.396   8.2693 -2.030243 11.60794 
1 1 1  -28    3   34 o  231.952   5.8124  146.139   7.2819  143.968   10.406  148.221   10.194  230.243   8.3638  233.660   8.0735 -3.417236 11.62471 
1 1 1  -28    3   35 o  126.033   8.6578   44.109   5.7368   32.331   8.0643   56.177   8.1628  108.536   13.750  143.531   10.525 -34.99514 17.31564 
1 1 1  -28    3   36 o  248.671   5.7032  168.056   7.6588  167.519   10.637  168.633   11.036  248.283   7.9286  249.058   8.2001 -0.7744598 11.40635 
1 1 1  -28    3   37 o  307.664   5.6316  257.329   9.3624  254.863   13.229  259.804   13.252  306.180   7.9956  309.149   7.9329 -2.968903 11.26327 
1 1 1  -28    3   38 o  309.660   5.6416  260.787   9.4400  259.173   13.340  262.406   13.360  308.695   7.9973  310.625   7.9595 -1.929565 11.28318 
1 1 1  -28    3   39 o  101.091   10.616   28.987   5.4969   21.153   7.6466   37.365   7.9077   85.643   17.121  116.540   12.557 -30.89670 21.23259 
1 1 1  -28    3   40 f  296.650   5.6294  239.748   9.0231  239.614   12.843  239.878   12.680  296.552   8.0143  296.748   7.9076 -0.1958313 11.25873 
1 1 1  -28    3   41 o   99.507   10.040   27.536   5.3881   29.492   7.6260   25.587   7.6140  103.135   13.684   95.878   14.696 7.256905 20.08031 
1 1 1  -28    3   42 o  122.941   8.7190   41.674   5.7851   44.607   8.3903   39.016   7.9872  127.081   12.218  118.801   12.442 8.279152 17.43805 
1 1 1  -28    3   43 o  285.592   5.7396  222.357   8.8456  231.224   12.927  214.549   12.130  290.894   8.2236  280.290   8.0090 10.60370 11.47924 
1 1 1  -28    3   44 o  131.172   8.0139   47.532   5.6603   42.325   7.8544   53.157   8.1642  123.590   11.761  138.753   10.889 -15.16242 16.02772 
1 1 1  -28    3   45 o  125.205   8.2624   43.555   5.5655   38.653   7.8152   48.599   7.9275  117.879   12.269  132.532   11.069 -14.65336 16.52479 
1 1 1  -28    3   46 o  144.612   7.7067   58.162   6.0011   54.042   8.6230   62.031   8.3569  139.441   11.444  149.783   10.325 -10.34114 15.41346 
1 1 1  -28    3   47 f   95.621   10.710   25.991   5.5334   25.808   7.8678   26.171   7.7836   95.244   15.287   95.999   15.005 -0.7551193 21.42063 
1 1 1  -28    3   48 o   79.605   13.444   19.326   5.7045   19.941   7.9747   18.682   8.1634   81.079   18.598   78.131   19.420 2.947174 26.88871 
1 1 1  -28    3   49 o   73.507   13.425   16.718   5.7127   23.952   7.9926   9.1628   8.1681   89.460   17.158   57.554   20.654 31.90583 26.85086 
1 1 1  -28    3   50 o   96.553   11.535   27.557   5.8597   25.297   8.3798   29.720   8.1969   91.500   17.587  101.606   14.929 -10.10619 23.06935 
1 1 1  -28    3   51 o   35.539   11.741  -6.1309   5.5833  -5.9584   7.8258  -6.3097   7.9681   35.503   16.569   35.575   16.641 -0.7224655E-01 23.48259 
1 1 1  -28    3   52 o  157.801   7.9885   70.503   6.7650   77.660   9.4193   62.878   9.7224  166.572   10.465  149.030   12.073 17.54167 15.97699 
1 1 1  -28    3   53 o   81.330   13.407   20.770   5.7851   21.573   8.2079   19.977   8.1552   83.051   18.735   79.609   19.184 3.442810 26.81466 
1 1 1  -28    3   54 o  108.208   10.457   34.460   6.1035   34.938   8.9175   34.039   8.3717  108.669   15.186  107.747   14.379 0.9217987 20.91325 
1 1 1  -28    3   55 o   44.722   14.903  -9.4546   9.6175 -19.2320   14.459  -1.6971   12.880   40.688   19.884   48.756   22.205 -8.068016 29.80618 
1 1 1  -28    3   58 o   68.524   14.499   15.984   6.7101   5.0322   9.3507   27.612   9.6347   48.246   20.515   88.803   20.494 -40.55675 28.99829 
1 1 1  -28    3   59 o   86.250   14.314   25.869   6.5651   28.486   9.4740   23.450   9.1059   91.032   19.822   81.468   20.656 9.564590 28.62781 
1 1 1  -28    4    1 o  801.468   14.128  1738.44   60.969  1648.87   82.124  1848.42   91.003  778.707   19.517  824.229   20.432 -45.52228 28.25585 
1 1 1  -28    4    2 o  418.801   6.1040  474.502   13.807  473.569   19.819  475.381   19.246  418.393   8.7663  419.209   8.4963 -0.8156433 12.20799 
1 1 1  -28    4    3 o  243.412   5.3468  160.088   7.0212  162.677   10.262  157.810   9.6272  245.255   7.7435  241.569   7.3751 3.685486 10.69364 
1 1 1  -28    4    4 o  369.082   5.7384  368.558   11.440  364.008   16.354  372.918   16.008  366.843   8.2501  371.320   7.9781 -4.476288 11.47675 
1 1 1  -28    4    5 o   45.390   12.749  -0.6271   5.6707   7.9382   7.1626 -15.0135   9.2826   56.590   19.416   34.190   16.527 22.40049 25.49728 
1 1 1  -28    4    6 o  676.104   10.422  1243.60   36.190  1252.66   44.795  1226.58   61.412  680.051   12.190  672.156   16.908 7.894897 20.84414 
1 1 1  -28    4    7 o  147.097   8.3226   54.855   6.2951   71.036   11.191   47.364   7.6140  161.920   12.790  132.274   10.653 29.64621 16.64516 
1 1 1  -28    4    8 o  262.321   6.6131  184.152   8.8699  192.500   15.412  180.017   10.846  266.656   10.696  257.987   7.7802 8.668976 13.22628 
1 1 1  -28    4    9 o  282.314   5.5398  215.502   8.4373  199.053   11.792  232.756   12.077  271.272   8.0445  293.357   7.6187 -22.08533 11.07967 
1 1 1  -28    4   10 o  550.089   7.2901  818.939   21.663  826.723   31.086  811.590   30.205  552.619   10.410  547.558   10.208 5.060791 14.58011 
1 1 1  -28    4   11 o  445.605   6.3562  536.655   15.285  548.821   22.286  525.849   21.004  450.356   9.1579  440.854   8.8170 9.501709 12.71247 
1 1 1  -28    4   12 o  803.636   12.297  1738.77   49.550  1796.62   89.136  1712.89   59.608  812.430   20.304  794.842   13.878 17.58832 24.59375 
1 1 1  -28    4   13 o  302.124   5.6879  247.067   9.2789  236.882   13.157  257.145   13.088  295.917   8.2281  308.331   7.8554 -12.41373 11.37581 
1 1 1  -28    4   14 o  285.311   6.8523  221.007   10.012  222.496   12.351  218.153   17.099  286.798   7.9697  283.825   11.149 2.972656 13.70469 
1 1 1  -28    4   15 f  482.364   6.6851  629.745   17.424  629.654   24.767  629.836   24.517  482.324   9.5028  482.403   9.4053 -0.7839966E-01 13.37025 
1 1 1  -28    4   16 o  424.362   6.2248  487.215   14.271  493.932   20.431  480.815   19.943  427.214   8.8504  421.510   8.7559 5.703522 12.44965 
1 1 1  -28    4   17 o  229.652   8.0807  142.711   10.028   0.0000   0.0000  142.711   10.028  ?   ?   229.652   8.0807      ?      ? 
1 1 1  -28    4   18 f  405.479   6.0608  445.032   13.279  441.378   18.752  448.708   18.808  403.808   8.5938  407.151   8.5486 -3.343231 12.12156 
1 1 1  -28    4   19 o  146.947   7.7350   58.686   6.1134   65.382   8.6637   52.044   8.6277  155.345   10.321  138.550   11.524 16.79532 15.46999 
1 1 1  -28    4   20 o  217.795   6.0435  128.448   7.1102  131.772   10.033  125.095   10.078  220.633   8.4154  214.957   8.6762 5.675293 12.08699 
1 1 1  -28    4   21 o  330.367   5.7556  295.443   10.274  293.137   14.563  297.728   14.498  329.080   8.1893  331.655   8.0897 -2.574524 11.51122 
1 1 1  -28    4   22 o  136.100   8.0470   50.114   5.9108   53.348   8.5982   47.216   8.1390  140.255   11.345  131.945   11.415 8.310318 16.09398 
1 1 1  -28    4   23 o  191.176   6.5394   98.956   6.7503  104.573   9.6617   93.599   9.4351  196.481   9.1001  185.871   9.3939 10.61047 13.07889 
1 1 1  -28    4   24 o  244.793   5.7728  161.925   7.6276  154.560   10.493  170.178   11.107  238.906   8.1278  250.681   8.1998 -11.77501 11.54551 
1 1 1  -28    4   25 o  139.083   7.8695   52.409   5.9008   57.631   8.5336   47.625   8.1683  145.725   10.837  132.440   11.414 13.28534 15.73896 
1 1 1  -28    4   26 o  306.910   6.9635  254.890   11.055  253.375   13.751  257.658   18.588  305.798   8.3216  308.022   11.168 -2.223389 13.92709 
1 1 1  -28    4   27 o  216.404   8.6213  127.348   10.081  127.860   14.338  126.847   14.177  216.829   12.237  215.979   12.148 0.8508453 17.24253 
1 1 1  -28    4   28 o  113.203   21.235   36.441   12.512   0.0000   0.0000   36.441   12.512  ?   ?   113.203   21.235      ?      ? 
1 1 1  -28    4   29 o   41.802   19.520 -10.1577   10.887   0.0000   0.0000 -10.1577   10.887  ?   ?    41.802   19.520      ?      ? 
1 1 1  -28    4   30 o  122.199   12.582   41.160   7.9807   52.500   11.924   31.959   10.741  138.373   15.948  106.026   19.465 32.34732 25.16346 
1 1 1  -28    4   31 o  197.077   8.9880  105.478   9.5717  105.478   9.5717   0.0000   0.0000  197.077   8.9880  ?   ?       ?      ? 
1 1 1  -28    4   32 o  256.921   5.7500  178.618   7.9718  190.949   11.614  167.633   10.962  265.287   8.1019  248.556   8.1615 16.73102 11.50000 
1 1 1  -28    4   33 o  323.769   5.7662  284.530   10.088  287.098   14.245  281.945   14.288  325.244   8.1050  322.294   8.2040 2.949554 11.53239 
1 1 1  -28    4   34 o  317.836   5.6937  273.809   9.7683  257.478   13.516  291.670   14.134  307.917   8.1229  327.754   7.9806 -19.83722 11.38733 
1 1 1  -28    4   35 o  226.560   5.8032  139.086   7.0891  126.891   9.7604  152.701   10.313  216.056   8.3602  237.065   8.0509 -21.00899 11.60646 
1 1 1  -28    4   36 o  126.425   8.5190   44.080   5.7763   47.445   7.9156   40.246   8.4482  131.749   11.119  121.101   12.910 10.64841 17.03798 
1 1 1  -28    4   37 o  364.342   5.9119  360.976   11.636  372.062   16.651  350.393   16.268  369.815   8.3322  358.868   8.3891 10.94736 11.82386 
1 1 1  -28    4   38 o  217.469   6.0931  128.839   7.1574  131.344   10.053  126.265   10.193  219.642   8.4701  215.296   8.7612 4.345474 12.18610 
1 1 1  -28    4   39 o  187.737   6.4352   96.135   6.5264   93.982   9.0995   98.416   9.3658  185.579   9.0740  189.895   9.1273 -4.316208 12.87037 
1 1 1  -28    4   40 o  220.815   5.9465  132.991   7.0953  133.450   10.071  132.540   9.9974  221.189   8.4263  220.441   8.3928 0.7474060 11.89296 
1 1 1  -28    4   41 o  110.623   9.1755   33.837   5.4798   34.332   7.9449   33.388   7.5680  111.348   13.204  109.898   12.744 1.449585 18.35108 
1 1 1  -28    4   42 o  260.050   5.7066  184.623   8.0112  174.739   11.297  194.620   11.362  252.984   8.2641  267.116   7.8717 -14.13277 11.41311 
1 1 1  -28    4   43 o  107.425   9.5506   32.498   5.4809   27.969   7.9279   36.644   7.5858   99.879   14.689  114.972   12.210 -15.09278 19.10125 
1 1 1  -28    4   44 o   98.511   10.222   27.360   5.4153   29.370   7.5123   25.187   7.8133  102.515   13.561   94.507   15.300 8.007881 20.44462 
1 1 1  -28    4   45 o   60.476   12.305   7.9966   5.3495  -3.2122   7.3356   20.729   7.8182   37.418   16.929   83.533   17.861 -46.11544 24.60936 
1 1 1  -28    4   46 f  111.101   9.8477   34.845   5.8522   28.901   8.1502   41.172   8.4083  100.953   14.940  121.248   12.834 -20.29408 19.69539 
1 1 1  -28    4   47 o  188.949   6.7326   98.693   6.8491  108.281   9.6907   89.124   9.6813  198.328   9.0424  179.569   9.9774 18.75903 13.46523 
1 1 1  -28    4   48 o  109.309   9.7247   33.835   5.7272   33.762   7.8085   33.919   8.4257  109.377   13.212  109.241   14.274 0.1361389 19.44943 
1 1 1  -28    4   49 o   73.323   13.661   16.568   5.4860   15.936   7.6159   17.250   7.9092   71.913   19.227   74.734   19.411 -2.820496 27.32162 
1 1 1  -28    4   50 o   47.254   13.441   3.6497   5.4081   0.2550   7.6626   7.0190   7.6339   41.928   18.206   52.581   19.778 -10.65327 26.88195 
1 1 1  -28    4   51 o   81.017   13.213   20.543   5.7211   24.724   7.8840   15.893   8.3148   90.846   16.675   71.188   20.502 19.65841 26.42655 
1 1 1  -28    4   52 o  199.323   6.5824  110.504   7.0895  110.614   9.9847  110.392   10.068  199.451   9.2642  199.195   9.3535 0.2555695 13.16489 
1 1 1  -28    4   53 o   69.382   14.382   15.028   5.9165   10.246   8.0891   20.529   8.6762   58.582   20.603   80.182   20.071 -21.60028 28.76333 
1 1 1  -28    4   54 o  145.205   8.4956   60.528   6.6653   59.828   9.3470   61.253   9.5074  144.375   11.981  146.036   12.048 -1.661102 16.99111 
1 1 1  -28    4   57 o   47.165   15.370  -1.9128   9.1079  -6.8604   12.396   3.8919   13.427   42.378   20.105   51.951   23.253 -9.573215 30.73963 
1 1 1  -28    4   58 o   58.657   15.387   11.516   6.6398   14.944   9.3041   7.9594   9.4786   64.478   22.128   52.836   21.386 11.64204 30.77356 
1 1 1  -28    4   59 o   54.741   14.673   9.1403   6.4677   2.2042   9.2227   15.852   9.0726   44.311   19.584   65.171   21.855 -20.85966 29.34596 
1 1 1  -28    5    1 o  199.500   9.1838  106.568   9.8240  118.198   15.081   97.995   12.948  208.824   13.365  190.176   12.600 18.64822 18.36768 
1 1 1  -28    5    2 o  107.938   8.9139   31.607   5.0900   40.682   7.4352   23.603   6.9829  122.571   11.226   93.306   13.850 29.26445 17.82778 
1 1 1  -28    5    3 o  252.627   5.5107  172.493   7.5170  175.656   10.883  169.607   10.395  254.836   7.9031  250.418   7.6821 4.418762 11.02149 
1 1 1  -28    5    4 o  569.012   9.0658  876.672   26.460  875.197   32.629  879.505   45.221  568.574   10.620  569.449   14.696 -0.8745728 18.13169 
1 1 1  -28    5    5 o  513.297   8.4132  711.577   22.141  707.094   27.259  720.270   37.960  511.130   9.8693  515.464   13.628 -4.333527 16.82644 
1 1 1  -28    5    6 o  448.414   7.7177  544.533   17.596  544.144   30.586  544.726   21.512  448.132   12.631  448.697   8.8722 -0.5645752 15.43541 
1 1 1  -28    5    7 o  420.109   7.4111  482.262   15.979  463.288   26.973  492.521   19.834  413.547   12.070  426.671   8.6027 -13.12366 14.82224 
1 1 1  -28    5    8 f   47.058   13.240   2.5705   5.2158  -1.1299   7.6628   5.7651   7.1197   42.106   18.245   52.011   19.191 -9.904430 26.47971 
1 1 1  -28    5    9 o  541.332   7.2002  793.101   21.054  798.062   30.232  788.429   29.337  542.963   10.304  539.701   10.060 3.262451 14.40035 
1 1 1  -28    5   10 o   82.760   16.441   19.246   7.0935   0.0000   0.0000   19.246   7.0935  ?   ?    82.760   16.441      ?      ? 
1 1 1  -28    5   11 o  337.194   5.6575  307.240   10.293  313.092   15.026  302.065   14.129  340.208   8.1735  334.180   7.8245 6.028168 11.31493 
1 1 1  -28    5   12 o  574.401   7.5480  893.303   23.427  881.523   33.085  905.149   33.176  570.597   10.730  578.205   10.618 -7.608398 15.09595 
1 1 1  -28    5   13 o  603.288   9.6706  984.203   29.407  994.144   52.110  979.558   35.621  605.136   15.936  601.440   10.960 3.696228 19.34124 
1 1 1  -28    5   14 o  369.746   5.9192  369.015   11.812  349.473   16.254  390.888   17.196  359.396   8.3696  380.096   8.3724 -20.69965 11.83835 
1 1 1  -28    5   15 o  480.102   8.1627  628.278   20.182  637.090   25.101  612.162   33.945  485.109   9.5756  475.095   13.222 10.01321 16.32532 
1 1 1  -28    5   16 o  209.240   6.1857  118.306   6.9881  123.952   10.129  113.178   9.6534  213.995   8.7596  204.485   8.7364 9.510162 12.37149 
1 1 1  -28    5   17 o   74.754   13.355   15.894   5.4574   12.524   7.8194   19.095   7.6203   67.315   20.021   82.192   17.682 -14.87723 26.71096 
1 1 1  -28    5   18 o  415.466   6.1584  467.301   13.825  462.563   19.544  472.047   19.560  413.354   8.7499  417.578   8.6686 -4.223907 12.31688 
1 1 1  -28    5   19 o  197.159   6.2771  105.632   6.6527   93.400   9.4209  117.798   9.3958  185.708   9.3880  208.611   8.3350 -22.90234 12.55421 
1 1 1  -28    5   20 o  402.196   6.0797  437.964   13.211  437.025   18.852  438.870   18.518  401.764   8.6838  402.627   8.5113 -0.8633728 12.15939 
1 1 1  -28    5   21 o  437.019   6.3763  517.175   15.056  507.904   21.189  526.631   21.398  433.060   9.0548  440.979   8.9799 -7.919800 12.75258 
1 1 1  -28    5   22 o  297.693   5.8140  239.771   9.3478  244.931   13.482  234.995   12.972  300.769   8.2954  294.616   8.1483 6.152924 11.62790 
1 1 1  -28    5   23 o  405.492   6.1685  445.371   13.516  446.172   19.187  444.583   19.042  405.850   8.7490  405.133   8.6981 0.7174072 12.33702 
1 1 1  -28    5   24 o  543.944   7.3086  802.472   21.481  792.384   30.194  812.810   30.566  540.483   10.338  547.406   10.333 -6.923096 14.61720 
1 1 1  -28    5   25 o  219.711   6.1938  130.824   7.3497  130.958   10.569  130.698   10.227  219.809   8.8984  219.613   8.6181 0.1965637 12.38758 
1 1 1  -28    5   26 o  287.576   7.9403  224.650   12.339  225.450   17.461  223.851   17.439  288.089   11.216  287.062   11.243 1.027130 15.88069 
1 1 1  -28    5   27 o  592.217   11.071  957.859   35.420  939.414   49.474  977.252   50.731  586.388   15.614  598.045   15.698 -11.65674 22.14105 
1 1 1  -28    5   28 o  283.965   8.2708  218.606   12.691   0.0000   0.0000  218.606   12.691  ?   ?   283.965   8.2708      ?      ? 
1 1 1  -28    5   29 o  262.704   8.2041  187.535   11.629  173.919   16.118  202.320   16.795  252.741   11.802  272.667   11.399 -19.92632 16.40812 
1 1 1  -28    5   30 o  162.327   10.008   70.866   8.6949   81.216   13.480   63.491   11.379  172.260   14.481  152.394   13.818 19.86551 20.01585 
1 1 1  -28    5   31 o  148.724   7.5214   59.417   5.9608   75.135   8.9519   46.897   7.9896  166.232   9.9658  131.216   11.268 35.01614 15.04286 
1 1 1  -28    5   32 o  498.960   6.9260  676.825   18.673  669.144   26.237  684.709   26.581  496.094   9.7874  501.826   9.8024 -5.731781 13.85208 
1 1 1  -28    5   33 o  150.306   7.3456   61.491   5.9354   53.435   8.2420   70.169   8.5544  140.026   10.893  160.586   9.8581 -20.56021 14.69128 
1 1 1  -28    5   34 o   76.526   13.365   16.952   5.6239   11.681   7.9428   22.252   7.9640   64.823   20.357   88.229   17.323 -23.40580 26.72969 
1 1 1  -28    5   35 o   92.394   11.237   23.909   5.4874   24.303   8.0092   23.559   7.5335   92.364   16.660   92.425   15.084 -0.6070709E-01 22.47418 
1 1 1  -28    5   36 o  302.644   5.6630  249.078   9.2567  246.143   13.250  251.877   12.938  300.869   8.1496  304.420   7.8652 -3.551025 11.32590 
1 1 1  -28    5   37 o  160.618   6.9133   70.312   5.9948   71.982   8.7025   68.805   8.2698  162.408   9.9162  158.828   9.6356 3.580704 13.82667 
1 1 1  -28    5   38 o  267.068   5.6204  194.016   8.1097  198.013   11.593  190.185   11.349  269.760   7.9528  264.376   7.9441 5.384277 11.24080 
1 1 1  -28    5   39 o  182.492   6.4586   90.920   6.3620   96.780   9.0872   85.287   8.9100  188.299   8.9309  176.684   9.3323 11.61545 12.91717 
1 1 1  -28    5   40 o  103.754   9.8727   29.874   5.5217   29.765   8.0834   29.969   7.5606  103.480   14.456  104.029   13.450 -0.5488815 19.74532 
1 1 1  -28    5   41 o   86.447   12.151   22.510   5.4752   14.828   8.1580   28.805   7.3857   70.974   20.267  101.921   13.410 -30.94740 24.30194 
1 1 1  -28    5   42 o  129.115   8.2853   46.202   5.6874   36.193   7.8912   57.020   8.2043  114.243   12.783  143.987   10.545 -29.74346 16.57067 
1 1 1  -28    5   43 o  123.100   8.6220   42.013   5.7159   46.788   8.2236   37.551   7.9504  129.986   11.708  116.213   12.660 13.77402 17.24409 
1 1 1  -28    5   44 o  163.878   6.9033   74.171   6.0849   69.878   8.8708   77.986   8.3623  159.213   10.311  168.543   9.1818 -9.330765 13.80650 
1 1 1  -28    5   45 o  152.966   7.1205   64.577   5.8815   61.410   8.2591   67.835   8.3777  149.102   10.251  156.829   9.8857 -7.726654 14.24102 
1 1 1  -28    5   46 o  206.987   6.2446  117.590   6.9750  121.124   10.186  114.470   9.5705  209.848   8.9832  204.125   8.6766 5.723770 12.48924 
1 1 1  -28    5   47 o   57.606   13.566   7.6956   5.6885  -0.7052   7.9574   16.476   8.1351   41.849   18.354   73.364   19.981 -31.51498 27.13125 
1 1 1  -28    5   48 f  232.565   6.1925  149.151   7.7753  142.048   10.993  156.264   10.999  226.910   8.9651  238.220   8.5448 -11.30959 12.38497 
1 1 1  -28    5   49 o  255.034   6.0258  179.359   8.3040  179.155   11.782  179.561   11.706  254.870   8.5547  255.199   8.4886 -0.3288116 12.05152 
1 1 1  -28    5   50 o  118.032   9.2515   39.576   5.8990   38.601   8.3500   40.546   8.3350  116.502   13.264  119.562   12.901 -3.060616 18.50305 
1 1 1  -28    5   51 o  161.926   7.4218   73.168   6.4848   74.477   9.4586   72.006   8.9078  163.174   10.727  160.678   10.259 2.495895 14.84354 
1 1 1  -28    5   52 o   65.745   13.414   12.866   5.7013   21.838   8.0965   4.0423   8.0295   83.803   18.385   47.686   19.538 36.11778 26.82809 
1 1 1  -28    5   53 o  148.411   8.2750   62.821   6.5973   68.654   9.1949   56.633   9.4712  156.015   10.907  140.806   12.448 15.20874 16.55008 
1 1 1  -28    5   54 o  104.296   11.867   33.566   6.3328   24.229   8.7700   43.739   9.1542   86.529   19.253  122.063   13.879 -35.53434 23.73382 
1 1 1  -28    5   57 o  145.736   10.185   64.332   7.7822   86.733   11.680   46.450   10.436  170.232   12.698  121.241   15.929 48.99126 20.37091 
1 1 1  -28    5   58 o   36.804   12.243  -7.9063   6.4816   0.0405   9.1808 -15.8036   9.1521   42.725   19.168   30.882   15.235 11.84309 24.48536 
1 1 1  -28    5   59 o   66.290   14.785   15.758   6.6306   25.475   9.5383   6.6711   9.2239   83.199   21.165   49.380   20.651 33.81825 29.57097 
1 1 1  -28    6    1 o  303.501   8.4763  250.442   13.849  233.784   20.007  265.766   19.189  293.735   12.605  313.268   11.336 -19.53366 16.95252 
1 1 1  -28    6    2 o  319.221   5.4973  275.497   9.4638  277.597   13.850  273.659   12.962  320.352   8.0009  318.091   7.5409 2.260162 10.99451 
1 1 1  -28    6    3 o  248.539   7.6417  167.073   10.263   0.0000   0.0000  167.073   10.263  ?   ?   248.539   7.6417      ?      ? 
1 1 1  -28    6    4 o  192.499   6.9311   97.191   7.0278   87.440   8.8312  114.032   11.605  179.763   9.0914  205.236   10.464 -25.47264 13.86216 
1 1 1  -28    6    5 o  603.081   7.8321  984.485   25.510  995.675   36.769  974.101   35.421  606.366   11.222  599.796   10.929 6.569946 15.66412 
1 1 1  -28    6    6 o  132.413   8.8666   46.270   6.1480   52.410   10.275   42.846   7.6731  139.042   13.676  125.784   11.289 13.25773 17.73328 
1 1 1  -28    6    7 o  106.542   12.813   30.760   7.3765   0.0000   0.0000   30.760   7.3765  ?   ?   106.542   12.813      ?      ? 
1 1 1  -28    6    8 o  366.627   5.8511  363.765   11.586  357.555   16.552  369.732   16.224  363.549   8.4255  369.705   8.1211 -6.155792 11.70217 
1 1 1  -28    6    9 o  383.151   5.9447  397.246   12.305  388.598   17.450  405.799   17.354  378.995   8.5208  387.306   8.2918 -8.310699 11.88941 
1 1 1  -28    6   10 o  237.155   5.8270  151.779   7.4481  157.076   11.005  147.303   10.117  240.956   8.4524  233.355   8.0232 7.601318 11.65393 
1 1 1  -28    6   11 o  225.094   5.8715  137.181   7.1149  135.814   10.500  138.341   9.6743  224.043   8.6732  226.144   7.9167 -2.101257 11.74304 
1 1 1  -28    6   12 o  243.284   5.8407  160.732   7.6424  143.759   10.860  177.385   10.757  230.494   8.7193  256.075   7.7737 -25.58109 11.68149 
1 1 1  -28    6   13 o  676.110   10.561  1253.58   36.677  1199.32   61.709  1283.22   45.606  664.161   17.195  688.059   12.266 -23.89807 21.12139 
1 1 1  -28    6   14 o  260.345   7.4101  183.830   9.3614  183.040   17.665  184.138   11.039  259.811   12.583  260.878   7.8308 -1.066925 14.82029 
1 1 1  -28    6   15 f  374.805   7.3185  381.262   14.137  382.946   17.554  378.153   23.849  376.134   8.6367  373.475   11.817 2.658997 14.63709 
1 1 1  -28    6   16 o  457.197   7.9679  564.228   18.606  559.387   22.802  573.874   32.187  454.513   9.2841  459.881   12.952 -5.367249 15.93588 
1 1 1  -28    6   17 o  167.361   6.9765   75.837   6.3060   72.469   8.8243   79.352   9.0148  163.560   9.9842  171.161   9.7468 -7.600998 13.95292 
1 1 1  -28    6   18 o  208.894   6.1470  117.298   6.9064  134.413   10.220  102.915   9.3693  222.828   8.4881  194.960   8.8935 27.86784 12.29398 
1 1 1  -28    6   19 o  394.862   6.0700  422.155   12.949  420.356   18.471  423.895   18.159  394.025   8.6751  395.698   8.4925 -1.672455 12.13999 
1 1 1  -28    6   20 o  114.124   9.5269   35.324   5.8695   36.510   8.5311   34.259   8.0881  115.933   13.618  112.315   13.327 3.617622 19.05375 
1 1 1  -28    6   21 o  271.576   5.7064  199.901   8.3560  184.221   11.788  215.737   11.846  260.839   8.3634  282.312   7.7655 -21.47369 11.41271 
1 1 1  -28    6   22 o  346.651   5.9107  325.210   11.067  311.622   15.448  339.534   15.861  339.211   8.4277  354.090   8.2897 -14.87946 11.82138 
1 1 1  -28    6   23 o  378.710   6.0513  388.615   12.378  386.039   17.743  391.058   17.276  377.470   8.6987  379.950   8.4147 -2.479919 12.10267 
1 1 1  -28    6   24 o   65.517   13.586   10.977   5.6948   19.203   8.1301   3.0534   7.9794   82.133   18.733   48.900   19.682 33.23269 27.17173 
1 1 1  -28    6   25 o  372.187   8.3387  376.173   16.761  359.009   23.365  394.369   24.057  363.429   11.898  380.946   11.687 -17.51761 16.67748 
1 1 1  -28    6   26 o  193.384   8.7597  101.754   9.1525  102.500   12.868  100.991   13.021  194.114   12.268  192.654   12.507 1.459930 17.51937 
1 1 1  -28    6   27 o  168.776   9.9689   78.014   9.0409   68.806   12.815   87.140   12.757  158.721   14.941  178.831   13.201 -20.10941 19.93784 
1 1 1  -28    6   28 o  297.364   8.4439  241.071   13.535  221.464   19.110  260.811   19.175  285.124   12.403  309.603   11.461 -24.47925 16.88780 
1 1 1  -28    6   29 o  370.620   8.5624  374.562   17.139  369.144   24.531  379.730   23.955  367.938   12.338  373.302   11.876 -5.363770 17.12474 
1 1 1  -28    6   30 o  332.876   7.0082  302.083   12.059  304.116   15.039  298.423   20.183  334.757   8.3139  330.995   11.284 3.762451 14.01633 
1 1 1  -28    6   31 o  232.936   5.8867  147.058   7.3954  150.318   10.848  144.227   10.109  235.319   8.5308  230.553   8.1140 4.765091 11.77338 
1 1 1  -28    6   32 f  310.703   5.6932  261.830   9.5546  252.048   13.330  272.166   13.702  304.731   8.0951  316.675   8.0075 -11.94397 11.38638 
1 1 1  -28    6   33 f   53.621   14.120   6.1843   5.5247   7.9213   7.6814   4.3229   7.9518   56.696   20.062   50.546   19.874 6.149578 28.23956 
1 1 1  -28    6   34 f   60.244   14.029   9.5875   5.3362   12.061   7.8016   7.4129   7.3150   65.484   20.112   55.004   19.566 10.47991 28.05869 
1 1 1  -28    6   35 o  131.596   8.1227   47.248   5.7585   45.847   7.7991   48.926   8.5386  129.507   11.145  133.687   11.820 -4.180099 16.24533 
1 1 1  -28    6   36 o  322.003   5.7596  281.598   10.010  263.279   13.898  301.347   14.430  311.103   8.2670  332.902   8.0216 -21.79822 11.51913 
1 1 1  -28    6   37 o  242.527   5.7279  159.988   7.5036  161.662   10.789  158.420   10.443  243.736   8.1913  241.318   8.0086 2.418640 11.45585 
1 1 1  -28    6   38 o  154.314   7.2048   65.145   5.9795   73.756   8.5942   57.066   8.3248  164.291   9.6806  144.337   10.673 19.95374 14.40962 
1 1 1  -28    6   39 o  211.141   6.0236  121.461   6.8540  123.756   10.109  119.509   9.3241  212.919   8.7867  209.363   8.2418 3.555740 12.04711 
1 1 1  -28    6   40 o   58.187   12.917   8.1661   5.2420  -0.1134   7.4590   16.246   7.3686   42.016   18.104   74.358   18.431 -32.34219 25.83493 
1 1 1  -28    6   41 o  151.764   7.3617   63.278   6.0293   59.252   8.4803   67.393   8.5740  146.814   10.689  156.714   10.125 -9.899750 14.72335 
1 1 1  -28    6   42 o  164.555   7.0994   74.593   6.2834   72.570   9.2694   76.312   8.5468  162.335   10.567  166.775   9.4838 -4.439743 14.19871 
1 1 1  -28    6   43 o  214.357   6.0285  125.164   6.9641  135.626   10.312  116.390   9.4432  222.534   8.5751  206.181   8.4758 16.35254 12.05703 
1 1 1  -28    6   44 o   31.822   10.728 -11.5643   5.2793  -3.3534   7.6046 -19.2027   7.3347   38.052   17.224   25.592   12.792 12.46010 21.45507 
1 1 1  -28    6   45 o  161.723   7.2143   70.656   6.2205   89.048   9.5801   57.250   8.1793  179.626   9.8699  143.820   10.525 35.80652 14.42860 
1 1 1  -28    6   46 o  138.061   8.1194   53.331   6.0075   50.350   8.9275   55.798   8.1214  134.216   12.309  141.906   10.591 -7.690094 16.23874 
1 1 1  -28    6   47 o   79.836   13.275   19.429   5.6347   18.172   8.1075   20.603   7.8366   77.017   19.470   82.654   18.051 -5.636345 26.55093 
1 1 1  -28    6   48 o  272.477   5.9167  204.380   8.7110  205.947   12.401  202.855   12.239  273.493   8.3915  271.461   8.3434 2.031738 11.83336 
1 1 1  -28    6   49 o  177.680   7.0034   87.798   6.7203   89.408   9.4068   86.120   9.6042  179.445   9.7011  175.914   10.103 3.530899 14.00683 
1 1 1  -28    6   50 o  109.902   10.504   34.691   6.2253   31.812   8.6027   37.856   9.0200  104.984   15.164  114.821   14.538 -9.837151 21.00728 
1 1 1  -28    6   51 o   57.749   13.929   7.6581   5.9552   17.476   8.7540  -0.7996   8.1250   73.984   20.948   41.513   18.363 32.47129 27.85736 
1 1 1  -28    6   52 o   56.952   14.475   8.5473   5.9681   3.4840   8.2241   14.180   8.6741   47.184   19.596   66.720   21.311 -19.53622 28.95096 
1 1 1  -28    6   53 o   86.136   13.714   23.793   6.2587   27.931   8.9358   19.808   8.7689   94.492   18.160   77.781   20.554 16.71132 27.42735 
1 1 1  -28    6   54 o  112.384   16.985   43.953   10.184   50.473   13.978   36.577   14.868  125.402   20.628   99.366   26.990 26.03642 33.97076 
1 1 1  -28    6   57 o   37.280   12.314  -6.3127   6.3246   1.7579   9.1957 -13.5573   8.7124   43.855   19.460   30.705   15.093 13.15008 24.62734 
1 1 1  -28    6   58 o  105.902   12.277   36.125   6.7937   31.393   9.6583   40.759   9.5580   96.845   19.135  114.959   15.386 -18.11444 24.55344 
1 1 1  -28    6   59 o   48.648   13.922   4.1863   6.5821  -6.8906   9.5472   14.220   9.0867   36.263   17.327   61.034   21.796 -24.77147 27.84470 
1 1 1  -28    7    1 o  672.125   10.530  1226.36   36.128  1227.85   44.358  1223.42   62.268  673.191   12.194  671.058   17.172 2.133057 21.06088 
1 1 1  -28    7    2 o  408.174   6.0872  450.779   13.424  439.481   18.937  462.191   19.031  403.027   8.6952  413.322   8.5211 -10.29398 12.17436 
1 1 1  -28    7    3 o  209.200   6.8652  119.903   7.5757  125.888   9.8504  111.239   11.852  215.712   8.4507  202.687   10.822 13.02498 13.73037 
1 1 1  -28    7    4 o  201.973   5.9942  110.882   6.5110  101.113   9.3663  120.018   9.0574  193.308   8.9667  210.639   7.9575 -17.33122 11.98846 
1 1 1  -28    7    5 o  107.188   11.247   32.115   5.9568   30.225   10.180   33.100   7.3457  103.849   18.834  110.528   12.299 -6.678886 22.49409 
1 1 1  -28    7    6 o  308.306   5.7067  257.828   9.4738  247.181   13.817  267.274   13.015  302.264   8.4592  314.347   7.6622 -12.08328 11.41344 
1 1 1  -28    7    7 o  462.122   6.5492  578.078   16.350  564.239   23.170  591.804   23.075  456.601   9.3908  467.643   9.1313 -11.04163 13.09841 
1 1 1  -28    7    8 o  395.822   6.0482  424.019   12.920  421.728   18.716  426.104   17.859  394.785   8.7733  396.858   8.3278 -2.072601 12.09640 
1 1 1  -28    7    9 o  573.187   7.5600  889.419   23.402  897.719   33.751  881.734   32.475  575.742   10.849  570.632   10.532 5.110291 15.12000 
1 1 1  -28    7   10 o  382.951   8.2577  396.796   17.088   0.0000   0.0000  396.796   17.088  ?   ?   382.951   8.2577      ?      ? 
1 1 1  -28    7   11 o  344.656   5.7761  321.662   10.749  310.768   15.311  332.251   15.095  338.885   8.3609  350.427   7.9718 -11.54269 11.55224 
1 1 1  -28    7   12 o  477.471   6.6848  617.382   17.242  610.745   24.602  623.788   24.172  474.934   9.5864  480.007   9.3192 -5.073151 13.36959 
1 1 1  -28    7   13 o  324.636   5.6955  285.138   9.9675  286.058   14.619  284.338   13.626  325.108   8.3213  324.164   7.7789 0.9440918 11.39104 
1 1 1  -28    7   14 o  134.467   10.888   48.283   6.8288   50.878   13.886   47.455   7.8427  136.609   18.811  132.326   10.968 4.282516 21.77520 
1 1 1  -28    7   15 o   85.860   15.746   18.131   6.5369   27.545   13.516   15.256   7.4685   98.307   25.297   73.414   18.757 24.89277 31.49218 
1 1 1  -28    7   16 o  218.549   7.5596  130.256   8.4684  132.064   10.477  126.847   14.384  220.860   8.7784  216.238   12.310 4.621811 15.11927 
1 1 1  -28    7   17 o  422.324   7.6951  475.806   16.473  462.022   19.943  505.405   29.224  413.073   8.9345  431.576   12.531 -18.50208 15.39030 
1 1 1  -28    7   18 o  314.115   5.7566  266.798   9.7599  272.822   14.205  261.412   13.433  317.460   8.2807  310.770   7.9990 6.689362 11.51316 
1 1 1  -28    7   19 o  243.053   5.9380  159.953   7.7917  159.712   11.258  160.174   10.795  242.866   8.5786  243.239   8.2128 -0.3732758 11.87607 
1 1 1  -28    7   20 o  255.113   5.8591  176.497   8.0587  171.519   11.700  180.989   11.115  251.664   8.6039  258.562   7.9556 -6.898270 11.71826 
1 1 1  -28    7   21 o  206.965   6.3697  116.370   7.0988  111.489   10.347  120.710   9.7572  202.826   9.4410  211.105   8.5534 -8.279205 12.73941 
1 1 1  -28    7   22 o  410.057   6.2507  453.652   13.804  479.003   20.560  432.846   18.627  420.414   9.0503  399.701   8.6241 20.71243 12.50132 
1 1 1  -28    7   23 o  371.286   6.0392  373.602   12.112  371.534   17.344  375.571   16.922  370.266   8.6684  372.305   8.4111 -2.038940 12.07836 
1 1 1  -28    7   24 o   79.593   16.696   17.730   7.7591   14.779   10.971   20.682   10.975   74.055   24.000   85.132   23.217 -11.07619 33.39172 
1 1 1  -28    7   25 o  350.159   8.2088  332.181   15.487  347.297   22.976  319.595   20.965  357.381   11.897  342.936   11.313 14.44501 16.41768 
1 1 1  -28    7   26 o  259.959   7.8946  183.574   11.082  186.734   16.022  180.676   15.345  262.081   11.314  257.836   11.014 4.244934 15.78922 
1 1 1  -28    7   27 o  107.048   14.322   34.210   7.0074   28.198   13.679   36.348   8.1592   98.634   25.484  115.463   13.077 -16.82855 28.64333 
1 1 1  -28    7   28 o  165.980   10.101   75.560   8.9391   73.964   13.729   76.734   11.778  164.282   15.465  167.678   12.999 -3.396591 20.20246 
1 1 1  -28    7   29 o  243.038   8.5823  161.170   11.263  158.671   16.152  163.536   15.715  241.154   12.395  244.921   11.874 -3.767151 17.16461 
1 1 1  -28    7   30 o  110.752   9.8846   33.473   5.8631   39.907   8.5454   27.749   8.0593  120.870   13.083  100.634   14.820 20.23582 19.76927 
1 1 1  -28    7   31 o  193.431   6.3317  101.951   6.5932   92.392   9.3671  111.336   9.2819  184.364   9.4025  202.498   8.4826 -18.13411 12.66341 
1 1 1  -28    7   32 o  215.469   6.0405  126.120   7.0257  118.444   9.8480  134.077   10.026  208.767   8.7297  222.172   8.3512 -13.40494 12.08098 
1 1 1  -28    7   33 o   72.602   13.237   15.484   5.4420   9.3935   8.0006   20.728   7.4240   60.025   20.521   85.179   16.726 -25.15430 26.47443 
1 1 1  -28    7   34 o   69.150   12.835   13.018   5.3209   22.173   7.8025   5.0595   7.2750   88.015   17.021   50.286   19.215 37.72968 25.66930 
1 1 1  -28    7   35 f  390.081   6.1242  414.084   12.908  406.461   18.147  421.890   18.363  386.438   8.6906  393.724   8.6311 -7.285858 12.24837 
1 1 1  -28    7   36 o  215.470   6.1100  125.913   7.0990  137.308   10.399  115.969   9.7145  224.577   8.5694  206.363   8.7117 18.21378 12.21997 
1 1 1  -28    7   37 o  201.277   6.2018  110.443   6.7433  109.894   9.6391  110.970   9.4371  200.764   8.8851  201.791   8.6547 -1.027084 12.40356 
1 1 1  -28    7   38 o  355.336   5.9120  344.406   11.346  337.611   16.187  350.970   15.909  351.829   8.5141  358.843   8.2047 -7.013306 11.82395 
1 1 1  -28    7   39 o  161.798   7.2748   72.461   6.2276   55.142   8.7162   90.523   8.9012  141.589   11.392  182.008   9.0504 -40.41942 14.54968 
1 1 1  -28    7   40 o   71.911   13.632   15.004   5.6117   20.950   8.0994   9.5138   7.7823   84.527   18.266   59.295   20.240 25.23193 27.26311 
1 1 1  -28    7   41 o   54.359   13.132   5.5934   5.2431   14.422   7.8692  -1.4550   7.0311   69.825   19.893   38.893   17.149 30.93286 26.26461 
1 1 1  -28    7   42 o   80.825   12.985   19.364   5.5339   19.949   8.0923   18.850   7.5846   81.883   18.700   79.767   18.021 2.115974 25.96996 
1 1 1  -28    7   43 o  219.721   6.3041  132.522   7.4703  130.648   10.863  134.203   10.289  218.134   9.2160  221.309   8.6041 -3.174698 12.60814 
1 1 1  -28    7   44 o  212.352   6.1956  123.899   7.1005  122.231   10.258  125.433   9.8384  210.884   9.0019  213.819   8.5151 -2.934845 12.39116 
1 1 1  -28    7   45 o   44.010   13.270   0.8655   5.5447   2.4421   8.2807  -0.4160   7.4654   46.956   19.596   41.065   17.900 5.891193 26.54056 
1 1 1  -28    7   46 o  134.201   8.1504   49.882   5.8906   55.622   8.7160   45.056   7.9921  141.303   11.415  127.100   11.637 14.20324 16.30081 
1 1 1  -28    7   47 o   86.547   12.545   23.302   5.8120   33.286   8.0896   12.650   8.3556  108.323   13.820   64.770   20.940 43.55251 25.08948 
1 1 1  -28    7   48 o  132.757   8.6651   49.570   6.2118   52.044   8.9597   47.280   8.6199  135.968   12.195  129.546   12.314 6.422592 17.33024 
1 1 1  -28    7   49 o  114.176   9.9143   37.279   6.1128   37.674   8.8221   36.914   8.4779  114.658   14.239  113.694   13.799 0.9636078 19.82869 
1 1 1  -28    7   50 o  124.987   9.2794   44.728   6.2136   40.646   9.0921   48.304   8.5114  119.105   14.127  130.869   12.036 -11.76337 18.55875 
1 1 1  -28    7   51 o   64.481   14.839   12.881   6.0013   15.903   8.6673   10.097   8.3179   70.399   21.110   58.564   20.860 11.83509 29.67815 
1 1 1  -28    7   52 o   43.187   12.784  -2.2047   5.8756 -13.5626   8.4507   8.4234   8.1748   31.245   15.254   55.129   20.519 -23.88390 25.56819 
1 1 1  -28    7   53 o  111.011   11.097   36.912   6.6543   38.352   9.5083   35.530   9.3158  113.240   15.539  108.783   15.848 4.457886 22.19478 
1 1 1  -28    7   56 o   65.646   18.144   16.861   9.3340   16.088   13.239   17.626   13.162   64.622   25.569   66.670   25.751 -2.048523 36.28841 
1 1 1  -28    7   57 f  163.529   8.2948   78.241   7.3008   75.774   10.685   80.402   9.9991  160.475   12.322  166.584   11.108 -6.108749 16.58958 
1 1 1  -28    7   58 o   42.868   13.703   0.2327   6.7489   2.0015   10.032  -1.2294   9.1214   45.204   20.176   40.532   18.546 4.672726 27.40502 
1 1 1  -28    8    1 o  403.578   6.1600  440.866   13.428  425.501   18.948  456.370   19.034  396.502   8.8436  410.654   8.5775 -14.15155 12.32002 
1 1 1  -28    8    2 o  470.185   7.9987  585.138   19.029  561.150   22.940  638.063   34.073  455.301   9.3239  485.069   12.999 -29.76758 15.99740 
1 1 1  -28    8    3 o  362.652   6.9670  357.438   13.240  361.757   16.842  350.450   21.422  365.626   8.5246  359.677   11.022 5.948944 13.93399 
1 1 1  -28    8    4 o  325.754   6.8018  292.717   11.495  266.667   18.659  308.652   14.594  313.751   11.006  337.757   7.9959 -24.00595 13.60356 
1 1 1  -28    8    5 o   38.308   18.014 -10.2658   9.5514 -10.2658   9.5514   0.0000   0.0000   38.308   18.014  ?   ?       ?      ? 
1 1 1  -28    8    6 o  440.454   6.3844  525.195   15.192  512.121   21.492  538.250   21.476  434.964   9.1441  445.943   8.9122 -10.97903 12.76882 
1 1 1  -28    8    7 f  389.941   6.1043  410.942   12.849  385.463   17.836  438.427   18.525  377.386   8.7464  402.497   8.5175 -25.11081 12.20855 
1 1 1  -28    8    8 o  449.499   6.4755  546.998   15.717  546.281   22.658  547.664   21.821  449.198   9.3345  449.800   8.9776 -0.6026001 12.95107 
1 1 1  -28    8    9 o  312.956   5.7363  265.183   9.6764  262.961   14.163  267.127   13.251  311.707   8.4087  314.204   7.8047 -2.496552 11.47257 
1 1 1  -28    8   10 o  253.297   5.8125  171.993   7.9026  187.577   12.052  160.240   10.467  263.253   8.4724  243.341   7.9599 19.91252 11.62502 
1 1 1  -28    8   11 o  374.458   6.0250  379.716   12.181  361.626   17.204  397.904   17.251  365.495   8.7108  383.422   8.3261 -17.92688 12.04996 
1 1 1  -28    8   12 o  243.170   5.8524  160.378   7.6545  156.358   11.305  163.781   10.401  240.327   8.7054  246.012   7.8243 -5.685318 11.70485 
1 1 1  -28    8   13 o  392.282   6.0764  416.640   12.874  400.565   18.151  432.913   18.263  384.654   8.7328  399.909   8.4515 -15.25549 12.15272 
1 1 1  -28    8   14 o  255.491   5.8285  177.032   8.0308  167.253   11.489  186.375   11.230  248.560   8.5538  262.421   7.9194 -13.86130 11.65693 
1 1 1  -28    8   15 o   49.494   15.074  -0.6876   6.3433   2.1002   12.877  -1.5808   7.2890   58.654   24.454   40.334   17.631 18.31942 30.14721 
1 1 1  -28    8   16 o  418.888   7.9431  475.276   16.486  477.027   30.087  474.525   19.709  419.142   13.284  418.634   8.7124 0.5077820 15.88620 
1 1 1  -28    8   17 o   40.532   13.290  -7.5697   6.5669  -7.3306   8.1034  -8.0270   11.208   36.495   16.974   44.568   20.454 -8.073200 26.57983 
1 1 1  -28    8   18 o  340.229   7.1107  313.130   12.495  311.700   15.520  315.766   21.068  339.281   8.4651  341.178   11.427 -1.896515 14.22131 
1 1 1  -28    8   19 o  135.142   8.4275   49.356   6.1392   52.805   9.0776   46.448   8.3343  139.467   12.045  130.816   11.790 8.651276 16.85508 
1 1 1  -28    8   20 f  384.248   6.1192  400.071   12.698  397.412   18.246  402.568   17.682  382.990   8.8162  385.506   8.4883 -2.515808 12.23833 
1 1 1  -28    8   21 o  455.556   6.5900  562.612   16.212  561.967   23.336  563.213   22.539  455.276   9.4857  455.835   9.1505 -0.5589905 13.17992 
1 1 1  -28    8   22 o   60.727   13.673   8.9469   5.6853   0.8437   8.3306   16.011   7.7783   46.458   19.539   74.996   19.132 -28.53826 27.34595 
1 1 1  -28    8   23 o  125.784   11.993   43.188   8.1349   47.252   11.780   39.482   11.248  131.464   16.582  120.104   17.331 11.35963 23.98594 
1 1 1  -28    8   24 o  324.857   8.1688  286.453   14.322  295.045   20.887  278.829   19.676  329.416   11.734  320.297   11.368 9.118805 16.33754 
1 1 1  -28    8   25 o  198.678   8.7320  107.455   9.3730  110.045   13.284  104.887   13.227  201.077   12.226  196.279   12.471 4.797714 17.46408 
1 1 1  -28    8   26 o  171.190   6.9812   79.680   6.4448   78.173   9.3682   81.033   8.8800  169.620   10.221  172.760   9.5122 -3.139908 13.96244 
1 1 1  -28    8   27 o   85.418   17.548   20.116   8.5701   26.419   13.323   15.667   11.193   95.359   25.400   75.476   24.219 19.88312 35.09599 
1 1 1  -28    8   28 o  156.712   11.456   68.874   9.4919   56.892   14.064   78.896   12.863  143.607   18.124  169.818   14.018 -26.21115 22.91218 
1 1 1  -28    8   29 o   34.803   11.802 -13.0045   6.2433 -16.0543   8.2034  -8.8063   9.6247   30.200   14.804   39.406   18.385 -9.205925 23.60426 
1 1 1  -28    8   30 o   92.769   11.194   23.768   5.4127   30.264   8.0831   18.488   7.2879  105.112   14.231   80.427   17.284 24.68471 22.38881 
1 1 1  -28    8   31 f  120.387   8.9272   40.016   5.7283   36.874   8.6389   42.482   7.6526  115.990   13.783  124.784   11.349 -8.793549 17.85432 
1 1 1  -28    8   32 o  157.417   7.4981   67.768   6.3519   65.359   9.3163   69.860   8.6829  154.718   11.143  160.115   10.036 -5.397308 14.99623 
1 1 1  -28    8   33 o  115.445   9.6527   37.442   5.8270   26.937   8.2801   47.748   8.2016   98.756   15.516  132.134   11.487 -33.37762 19.30535 
1 1 1  -28    8   34 o  290.982   5.7208  230.313   8.9832  228.300   13.014  232.146   12.416  289.715   8.3126  292.248   7.8620 -2.532654 11.44162 
1 1 1  -28    8   35 o  228.665   6.0054  141.987   7.4059  147.380   10.890  137.347   10.101  232.661   8.6621  224.668   8.3204 7.992706 12.01090 
1 1 1  -28    8   36 o   65.294   13.823   12.198   5.3071   10.128   7.6467   14.121   7.3715   60.859   20.053   69.730   19.032 -8.870567 27.64650 
1 1 1  -28    8   37 o  140.844   7.6453   55.001   5.7431   49.524   8.5616   59.481   7.7439  134.199   11.806  147.489   9.7165 -13.29024 15.29062 
1 1 1  -28    8   38 o  110.369   9.5804   33.710   5.7051   34.278   8.3275   33.208   7.8318  111.181   13.861  109.557   13.229 1.624039 19.16088 
1 1 1  -28    8   39 o  128.333   8.4713   45.814   5.8208   40.931   8.4972   50.132   7.9900  121.619   12.930  135.048   10.949 -13.42940 16.94264 
1 1 1  -28    8   40 o  224.734   6.0315  138.421   7.2778  134.135   10.826  141.954   9.8307  221.392   9.0493  228.077   7.9765 -6.685211 12.06292 
1 1 1  -28    8   41 o  259.390   5.9617  184.297   8.3366  180.582   12.141  187.612   11.467  256.789   8.7498  261.991   8.0999 -5.202118 11.92333 
1 1 1  -28    8   42 o  154.724   7.3914   65.723   6.1585   69.306   9.1787   62.789   8.3055  158.463   10.719  150.985   10.180 7.477539 14.78289 
1 1 1  -28    8   43 o  304.565   5.9532  253.545   9.7712  263.508   14.459  245.172   13.256  309.944   8.6334  299.187   8.1993 10.75787 11.90648 
1 1 1  -28    8   44 o   64.111   14.046   11.928   5.3956   15.064   8.0872   9.4128   7.2433   70.477   20.197   57.745   19.527 12.73162 28.09283 
1 1 1  -28    8   45 o  164.378   7.3467   75.177   6.4912   69.461   9.4182   80.350   8.9590  158.147   11.021  170.608   9.7179 -12.46155 14.69348 
1 1 1  -28    8   46 o   66.919   14.222   13.676   5.6478   10.789   8.2370   16.238   7.7589   61.018   20.823   72.821   19.378 -11.80288 28.44407 
1 1 1  -28    8   47 o   85.509   13.135   22.486   5.8819   20.109   8.7167   24.473   7.9699   80.481   20.103   90.537   16.913 -10.05637 26.27071 
1 1 1  -28    8   48 o   69.404   11.270   13.568   5.6887  -5.0457   8.4385   29.074   7.7018   38.007   17.553  100.801   14.140 -62.79447 22.53963 
1 1 1  -28    8   49 o  163.104   7.7418   74.981   6.7308   70.554   10.205   78.390   8.9547  158.285   11.931  167.922   9.8686 -9.637482 15.48357 
1 1 1  -28    8   50 o   89.661   12.842   24.611   6.1034   19.139   8.5867   30.200   8.6771   77.672   20.250  101.649   15.797 -23.97691 25.68332 
1 1 1  -28    8   51 o   42.792   13.278  -0.0211   5.9044  -0.8700   8.3967   0.8091   8.3042   41.881   18.589   43.703   18.965 -1.822483 26.55652 
1 1 1  -28    8   52 o   50.991   14.579   5.7565   6.2239   5.2560   8.9896   6.2172   8.6255   50.527   20.685   51.455   20.550 -0.9279671 29.15740 
1 1 1  -28    8   53 o   76.307   15.460   19.755   6.6943   20.079   9.7881   19.472   9.1758   76.610   22.296   76.005   21.422 0.6051102 30.91938 
1 1 1  -28    8   56 o   88.938   14.718   28.325   6.9491   27.145   10.059   29.402   9.6113   86.125   21.641   91.751   19.954 -5.625572 29.43609 
1 1 1  -28    8   57 o   47.446   14.250   3.2949   6.7456  -3.4685   10.071   8.7983   9.0845   40.993   19.018   53.898   21.227 -12.90507 28.49972 
1 1 1  -28    8   58 o   62.133   14.669   12.434   6.9111   0.5380   9.5425   25.557   10.023   42.471   19.253   81.795   22.137 -39.32483 29.33797 
1 1 1  -28    9    1 o  218.263   6.7525  128.147   7.9093  122.094   10.488  136.126   12.043  212.350   9.1406  224.176   9.9416 -11.82657 13.50497 
1 1 1  -28    9    2 o  235.548   6.6602  149.981   8.4287  147.854   11.293  152.658   12.665  233.691   8.9427  237.405   9.8723 -3.713242 13.32045 
1 1 1  -28    9    3 o  212.338   6.9189  120.613   7.5727  127.072   12.958  117.263   9.3323  216.530   11.074  208.147   8.2972 8.382645 13.83788 
1 1 1  -28    9    4 o  245.134   6.8219  162.042   8.5471  164.887   14.767  160.609   10.481  246.652   11.080  243.615   7.9618 3.037201 13.64382 
1 1 1  -28    9    5 o  117.999   8.9346   38.598   5.5624   32.849   8.4271   43.036   7.4045  109.980   14.180  126.018   10.874 -16.03748 17.86922 
1 1 1  -28    9    6 o  158.387   9.3233   67.931   7.9795   0.0000   0.0000   67.931   7.9795  ?   ?   158.387   9.3233      ?      ? 
1 1 1  -28    9    7 o  331.788   5.7958  296.575   10.333  310.325   15.597  285.819   13.794  338.586   8.5246  324.989   7.8548 13.59738 11.59169 
1 1 1  -28    9    8 o  703.713   8.9423  1343.64   34.002  1337.97   48.314  1349.20   47.861  702.221   12.732  705.204   12.560 -2.982239 17.88463 
1 1 1  -28    9    9 o   58.644   14.294   8.5412   5.5156   6.9117   8.3071   9.8259   7.3761   56.396   20.742   60.892   19.673 -4.496395 28.58781 
1 1 1  -28    9   10 o  272.337   5.8502  201.230   8.5793  194.158   12.537  207.459   11.766  267.803   8.6634  276.872   7.8642 -9.069733 11.70043 
1 1 1  -28    9   11 o  223.834   6.1102  135.334   7.3428  138.259   11.081  133.044   9.8042  225.962   9.0755  221.706   8.1836 4.256226 12.22031 
1 1 1  -28    9   12 o  228.670   5.9209  140.681   7.2713  149.080   11.026  134.217   9.6726  234.655   8.6956  222.685   8.0383 11.97038 11.84180 
1 1 1  -28    9   13 o  219.397   9.0283  130.350   10.703  130.350   10.703   0.0000   0.0000  219.397   9.0283  ?   ?       ?      ? 
1 1 1  -28    9   14 o  136.577   8.1196   50.402   5.9685   52.595   8.9175   48.621   8.0332  139.242   11.852  133.911   11.102 5.330460 16.23913 
1 1 1  -28    9   15 o  286.135   5.7917  222.290   8.9257  211.428   12.954  232.107   12.316  279.433   8.5792  292.836   7.7830 -13.40283 11.58346 
1 1 1  -28    9   16 o  269.120   7.7492  202.897   10.089  181.577   18.588  211.800   12.012  258.529   13.306  279.710   7.9471 -21.18091 15.49836 
1 1 1  -28    9   17 f  414.006   7.9991  461.103   16.271  474.549   30.314  455.662   19.284  417.853   13.425  410.158   8.7007 7.695892 15.99822 
1 1 1  -28    9   18 o  402.899   7.7163  434.617   15.795  423.781   19.182  457.432   27.834  395.478   8.9762  410.321   12.554 -14.84314 15.43258 
1 1 1  -28    9   19 o  291.297   7.3268  228.117   10.938  223.774   13.419  236.712   18.878  287.384   8.6414  295.210   11.834 -7.826477 14.65357 
1 1 1  -28    9   20 f  304.566   5.8802  250.076   9.6370  264.456   14.440  238.527   12.940  312.397   8.5543  296.735   8.0703 15.66177 11.76032 
1 1 1  -28    9   21 o  456.398   8.0700  568.330   19.124  574.872   24.012  556.982   31.625  460.362   9.6525  452.434   12.936 7.928772 16.13999 
1 1 1  -28    9   22 f  101.420   14.867   29.340   8.0204   21.590   11.434   36.847   11.253   86.891   23.698  115.949   17.960 -29.05788 29.73473 
1 1 1  -28    9   23 o  213.020   8.7604  123.881   10.050  113.896   14.359  133.469   14.070  204.503   12.994  221.538   11.754 -17.03419 17.52086 
1 1 1  -28    9   24 o  321.920   7.1990  285.603   11.877  268.018   19.971  295.226   14.774  313.855   11.775  329.984   8.2853 -16.12863 14.39806 
1 1 1  -28    9   25 o   60.623   14.414   9.4430   5.5671   10.964   8.3216   8.2112   7.4901   63.993   20.911   57.253   19.843 6.739925 28.82720 
1 1 1  -28    9   26 o  296.414   7.5482  234.892   10.673  247.973   20.980  230.325   12.397  301.412   12.881  291.415   7.8725 9.996826 15.09634 
1 1 1  -28    9   27 o   64.695   16.194   9.2085   8.0247  -5.3784   13.562   17.068   9.9545   52.015   23.319   77.375   22.475 -25.35970 32.38716 
1 1 1  -28    9   28 f  170.862   10.113   80.382   9.1315   77.590   14.365   82.275   11.829  168.110   15.814  173.614   12.609 -5.504196 20.22501 
1 1 1  -28    9   29 o   98.009   15.801   26.401   8.3684   26.401   8.3684   0.0000   0.0000   98.009   15.801  ?   ?       ?      ? 
1 1 1  -28    9   30 o  134.260   8.2585   49.480   5.9160   47.380   9.0041   51.075   7.8476  131.618   12.660  136.901   10.608 -5.283432 16.51707 
1 1 1  -28    9   31 o  305.528   5.8481  253.880   9.6348  250.419   14.034  256.965   13.251  303.494   8.5575  307.561   7.9731 -4.067322 11.69616 
1 1 1  -28    9   32 o  120.606   8.9448   40.196   5.7661   37.335   8.6252   42.507   7.7533  116.544   13.696  124.668   11.509 -8.124084 17.88961 
1 1 1  -28    9   33 o  165.947   7.1568   74.969   6.4009   77.461   9.4584   72.863   8.6942  168.442   10.392  163.453   9.8435 4.988922 14.31361 
1 1 1  -28    9   34 o  110.916   9.8308   34.279   5.8065   28.077   8.2951   40.238   8.1305  100.749   15.237  121.083   12.427 -20.33308 19.66152 
1 1 1  -28    9   35 o  103.536   10.798   31.458   5.5998   23.093   8.4462   38.018   7.4802   89.353   18.113  117.719   11.759 -28.36544 21.59532 
1 1 1  -28    9   36 o   44.758   13.001   0.5114   5.3005   6.2680   7.8835  -4.2378   7.1606   53.345   20.092   36.172   16.506 17.17281 26.00258 
1 1 1  -28    9   37 o  237.529   5.9369  152.647   7.5891  170.164   11.344  138.454   10.211  249.762   8.4049  225.296   8.3872 24.46611 11.87383 
1 1 1  -28    9   38 f  125.768   8.6186   44.388   5.7516   36.781   8.4128   51.064   7.8813  115.175   13.517  136.361   10.696 -21.18585 17.23720 
1 1 1  -28    9   39 o  194.419   6.5578  102.803   6.8311  108.532   10.470   98.557   9.0138  198.973   9.7381  189.864   8.7858 9.108429 13.11561 
1 1 1  -28    9   40 o  179.228   6.7080   87.509   6.4564   93.688   9.8040   82.777   8.5794  184.674   9.8245  173.782   9.1362 10.89273 13.41606 
1 1 1  -28    9   41 o  117.294   9.2446   38.232   5.8381   39.724   8.6953   37.007   7.8778  119.254   13.494  115.335   12.640 3.919022 18.48927 
1 1 1  -28    9   42 o   67.702   14.097   13.516   5.4510   14.897   8.4267   12.523   7.1480   70.419   20.743   64.984   19.094 5.435791 28.19340 
1 1 1  -28    9   43 o  148.108   7.9209   60.418   6.3116   66.260   9.4815   55.769   8.4579  154.430   11.362  141.786   11.039 12.64337 15.84181 
1 1 1  -28    9   44 o  167.785   7.1909   77.907   6.4581   77.327   9.8032   78.353   8.5841  166.960   10.866  168.610   9.4216 -1.649307 14.38172 
1 1 1  -28    9   45 f   58.785   13.871   9.1983   5.6965   2.2218   8.2768   15.477   7.8521   46.429   19.498   71.141   19.734 -24.71194 27.74199 
1 1 1  -28    9   46 o   65.983   14.026   13.276   5.6840   7.9606   8.3383   17.890   7.7688   55.555   20.715   76.411   18.916 -20.85607 28.05197 
1 1 1  -28    9   47 o   93.927   12.002   27.364   5.7358   19.351   8.6070   33.766   7.6929   78.704   20.151  109.149   13.043 -30.44431 24.00403 
1 1 1  -28    9   48 o   85.843   13.520   22.902   6.1061   20.929   8.9594   24.614   8.3440   81.619   20.377   90.067   17.776 -8.448059 27.04056 
1 1 1  -28    9   49 o   76.320   14.248   18.157   5.9725   21.215   8.8422   15.591   8.0994   82.175   20.083   70.466   20.217 11.70963 28.49641 
1 1 1  -28    9   50 o   80.919   14.057   21.083   6.1164   18.282   9.2240   23.281   8.1713   75.024   21.590   86.813   18.009 -11.78902 28.11469 
1 1 1  -28    9   51 o   86.667   13.389   23.555   6.0790   24.555   8.9877   22.712   8.2531   88.106   19.403   85.227   18.455 2.878868 26.77788 
1 1 1  -28    9   52 o  116.793   11.452   41.537   6.8384   53.517   9.9148   30.667   9.4442  135.277   13.564   98.310   18.456 36.96699 22.90367 
1 1 1  -28    9   55 o   45.955   15.249  -4.5755   9.7700 -11.7230   14.100   2.0257   13.550   41.894   20.279   50.016   22.777 -8.122204 30.49702 
1 1 1  -28    9   56 f   41.744   13.505  -1.8873   6.8151  -0.3659   10.053  -3.1812   9.2706   43.774   19.810   39.713   18.361 4.061157 27.01052 
1 1 1  -28    9   57 o   86.271   15.199   27.283   7.0650   26.059   10.287   28.377   9.7197   83.265   22.382   89.276   20.571 -6.010841 30.39896 
1 1 1  -28   10    1 o  226.415   6.7116  137.990   8.1524  132.141   10.805  145.721   12.422  220.904   9.0516  231.926   9.9121 -11.02151 13.42311 
1 1 1  -28   10    2 o  309.635   5.9690  257.789   9.8814  271.151   15.278  248.180   12.956  316.450   8.9346  302.820   7.9178 13.62997 11.93809 
1 1 1  -28   10    3 o  735.591   11.282  1484.90   42.822  1427.70   71.431  1516.98   53.502  723.652   18.267  747.530   13.245 -23.87830 22.56354 
1 1 1  -28   10    4 o  263.097   5.8602  187.577   8.2618  185.744   12.487  189.003   11.018  261.920   8.8227  264.274   7.7155 -2.353851 11.72046 
1 1 1  -28   10    5 o  126.258   8.3693   43.522   5.6344   41.305   8.5757   45.206   7.4738  123.366   12.864  129.149   10.709 -5.783096 16.73858 
1 1 1  -28   10    6 o  166.079   6.9320   74.384   6.1521   76.912   9.4992   72.557   8.0742  168.470   10.435  163.688   9.1284 4.782196 13.86400 
1 1 1  -28   10    7 o  102.013   10.365   27.822   5.6566   31.598   8.7907   25.154   7.3897  107.806   15.090   96.221   14.213 11.58537 20.72942 
1 1 1  -28   10    8 o  152.904   7.5021   62.898   6.1437   66.756   9.4421   60.065   8.0907  156.916   11.136  148.892   10.056 8.024536 15.00417 
1 1 1  -28   10    9 o  174.542   6.8536   82.542   6.4008   82.435   9.7543   82.623   8.4827  174.410   10.350  174.674   8.9870 -0.2643127 13.70713 
1 1 1  -28   10   10 o  299.489   5.7688  241.454   9.2673  253.453   14.120  232.374   12.283  305.962   8.5402  293.016   7.7578 12.94623 11.53765 
1 1 1  -28   10   11 o  141.576   7.7885   53.991   5.9218   57.428   8.9836   51.351   7.8750  145.514   11.425  137.637   10.588 7.877289 15.57702 
1 1 1  -28   10   12 o  230.091   6.2107  143.453   7.6613  142.703   11.567  144.040   10.226  229.521   9.3262  230.662   8.2044 -1.140823 12.42137 
1 1 1  -28   10   13 o  270.449   5.9813  195.735   8.6696  215.909   13.338  180.978   11.408  282.353   8.7422  258.544   8.1657 23.80887 11.96259 
1 1 1  -28   10   14 o  205.657   6.5415  113.530   7.2013  122.054   11.115  107.364   9.4536  212.220   9.6929  199.093   8.7872 13.12680 13.08306 
1 1 1  -28   10   15 o  265.435   6.0121  191.484   8.5872  182.077   12.540  199.790   11.783  259.240   8.9519  271.630   8.0279 -12.39035 12.02429 
1 1 1  -28   10   16 o  469.925   6.7414  598.494   17.097  601.094   24.833  596.151   23.574  470.858   9.7600  468.992   9.3022 1.865723 13.48287 
1 1 1  -28   10   17 o   57.556   15.805   6.3349   6.7201  -4.4054   14.497   9.2743   7.5842   55.302   24.492   59.810   19.982 -4.507454 31.60970 
1 1 1  -28   10   18 o  259.981   8.0466  183.098   11.304   0.0000   0.0000  183.098   11.304  ?   ?   259.981   8.0466      ?      ? 
1 1 1  -28   10   19 o  372.879   7.6491  373.417   14.575  365.179   17.815  390.090   25.344  367.014   8.9829  378.745   12.383 -11.73096 15.29829 
1 1 1  -28   10   20 o  352.439   8.4105  337.009   15.997  351.126   23.363  324.549   21.949  359.347   12.032  345.530   11.755 13.81696 16.82108 
1 1 1  -28   10   21 o  420.312   8.8611  480.822   20.123  471.171   28.409  490.540   28.509  416.053   12.636  424.571   12.426 -8.517365 17.72228 
1 1 1  -28   10   22 o  139.540   11.055   53.797   8.2466   46.982   12.005   59.887   11.348  130.936   16.967  148.145   14.176 -17.20853 22.10943 
1 1 1  -28   10   23 o  156.357   8.7572   64.435   7.0680   73.829   12.253   59.751   8.6525  164.467   13.787  148.248   10.801 16.21895 17.51448 
1 1 1  -28   10   24 o  262.063   6.0828  186.469   8.5540  185.499   12.859  187.239   11.456  261.383   9.1044  262.744   8.0690 -1.361389 12.16552 
1 1 1  -28   10   25 o  377.590   6.1174  387.297   12.467  381.074   17.986  393.052   17.297  374.620   8.8849  380.560   8.4113 -5.940277 12.23479 
1 1 1  -28   10   26 o   57.595   16.656   1.8607   8.0811   9.5518   13.545  -2.3896   10.069   68.472   26.205   46.718   20.565 21.75427 33.31104 
1 1 1  -28   10   27 o   72.935   18.162   12.844   8.7252   16.944   14.091   10.295   11.111   79.800   27.235   66.069   24.036 13.73053 36.32441 
1 1 1  -28   10   28 o  159.831   9.3857   70.181   7.8317   71.063   9.9134   68.716   12.774  161.437   11.364  158.225   14.941 3.212204 18.77141 
1 1 1  -28   10   29 f   85.028   13.090   20.546   5.8033   22.917   8.8762   18.775   7.6695   89.242   18.990   80.814   18.022 8.428078 26.18002 
1 1 1  -28   10   30 o  230.584   6.1712  144.603   7.6666  144.645   11.283  144.567   10.450  230.557   9.0563  230.611   8.3855 -0.5406189E-01 12.34239 
1 1 1  -28   10   31 f  209.947   6.2765  119.250   7.0755  126.102   10.736  113.989   9.4074  215.184   9.2332  204.710   8.5044 10.47324 12.55297 
1 1 1  -28   10   32 o  136.509   8.2087   50.554   6.0176   55.038   9.1508   47.137   7.9877  141.742   11.947  131.275   11.260 10.46730 16.41748 
1 1 1  -28   10   33 o  102.031   11.215   29.070   5.7871   42.070   8.6914   18.716   7.7564  123.713   13.001   80.349   18.277 43.36353 22.42950 
1 1 1  -28   10   34 o  206.843   6.3541  117.184   7.0378  112.187   10.559  121.177   9.4402  202.718   9.6397  210.969   8.2809 -8.250946 12.70811 
1 1 1  -28   10   35 o  236.324   6.0486  151.146   7.6836  163.243   11.612  141.722   10.248  244.614   8.7846  228.034   8.3169 16.57973 12.09711 
1 1 1  -28   10   36 o  112.090   9.8661   35.633   5.8319   29.205   8.6733   40.938   7.8789  102.269   15.695  121.912   11.960 -19.64336 19.73228 
1 1 1  -28   10   37 f   43.806   12.998   1.3243   5.2060  -0.3201   7.8771   2.5997   6.9370   42.849   18.533   44.764   18.230 -1.915112 25.99614 
1 1 1  -28   10   38 o  176.291   6.8725   86.010   6.4811   75.485   9.4258   95.448   8.9260  165.745   10.524  186.838   8.8411 -21.09285 13.74494 
1 1 1  -28   10   39 o  145.296   7.9063   58.510   6.1632   55.842   9.1512   60.725   8.3378  142.043   11.923  148.549   10.387 -6.506729 15.81261 
1 1 1  -28   10   40 o   63.168   14.117   11.240   5.4911   15.053   8.0873   7.9791   7.4795   70.944   20.151   55.391   19.776 15.55288 28.23399 
1 1 1  -28   10   41 o   71.328   13.919   14.990   5.4941   17.456   8.4966   13.218   7.2025   76.007   20.303   66.648   19.047 9.358871 27.83859 
1 1 1  -28   10   42 o   73.305   14.222   16.182   5.7946   18.238   8.6161   14.484   7.8298   77.339   20.344   69.272   19.879 8.066643 28.44348 
1 1 1  -28   10   43 o   51.543   13.643   5.2115   5.6606  -2.0743   8.5195   10.970   7.5742   41.763   18.620   61.324   19.946 -19.56083 27.28598 
1 1 1  -28   10   44 o  119.990   9.4995   40.368   6.1392   45.115   9.0403   36.306   8.3634  126.580   13.217  113.400   13.648 13.17988 18.99906 
1 1 1  -28   10   45 o  110.253   9.9566   33.977   5.8820   39.712   9.0318   29.753   7.7512  118.172   14.144  102.333   14.017 15.83929 19.91319 
1 1 1  -28   10   46 o  228.857   6.5024  143.106   7.9617  157.329   12.346  132.981   10.417  238.238   9.5904  219.476   8.7835 18.76120 13.00482 
1 1 1  -28   10   47 o  106.072   12.180   35.723   6.3387   23.274   9.6757   45.082   8.3897   85.793   21.033  126.352   12.288 -40.55886 24.35936 
1 1 1  -28   10   48 o  118.324   9.7384   40.042   6.1600   39.582   9.3736   40.391   8.1725  117.232   14.797  119.416   12.665 -2.183914 19.47685 
1 1 1  -28   10   49 o  116.320   10.465   39.528   6.5163   37.002   9.6734   41.626   8.8170  112.243   15.949  120.397   13.552 -8.153816 20.92928 
1 1 1  -28   10   50 o  133.098   9.3233   51.047   6.6419   48.831   9.9528   52.827   8.9182  129.874   14.182  136.322   12.107 -6.448044 18.64669 
1 1 1  -28   10   51 o   70.735   14.827   16.227   6.2258   21.908   9.2215   11.468   8.4396   81.267   20.886   60.202   21.052 21.06430 29.65434 
1 1 1  -28   10   52 o   53.560   15.340   3.3390   8.1337   14.642   10.636 -12.5788   12.622   66.313   23.593   40.807   19.612 25.50599 30.67935 
1 1 1  -28   10   55 o   47.568   14.468   4.4495   6.7097   2.8857   10.352   5.5823   8.8108   46.905   20.739   48.231   20.178 -1.325989 28.93521 
1 1 1  -28   10   56 o   50.870   14.979   6.3751   6.8954   3.7502   9.8461   8.9016   9.6598   47.585   20.650   54.156   21.705 -6.571129 29.95890 
1 1 1  -28   10   57 o   52.529   15.262   8.5707   7.1313   4.4574   10.289   12.373   9.8928   47.441   20.837   57.616   22.305 -10.17546 30.52372 
1 1 1  -28   11    1 o   67.148   13.968   12.796   5.6092   7.4416   8.8488   16.392   7.2524   58.278   21.412   76.018   17.944 -17.74006 27.93631 
1 1 1  -28   11    2 o  358.105   7.0359  353.611   13.103  323.649   21.179  372.190   16.677  345.440   11.346  370.769   8.3240 -25.32904 14.07190 
1 1 1  -28   11    3 o   58.843   13.814   8.5947   5.5247   2.2566   8.4685   13.291   7.2896   48.957   20.063   68.730   18.995 -19.77293 27.62850 
1 1 1  -28   11    4 o  141.516   7.9664   54.703   5.9901   52.034   9.2355   56.640   7.8700  138.462   12.344  144.570   10.074 -6.107773 15.93279 
1 1 1  -28   11    5 o  296.728   5.8727  238.745   9.3777  234.130   13.832  242.672   12.757  294.040   8.7053  299.417   7.8849 -5.376678 11.74537 
1 1 1  -28   11    6 o  407.217   6.2897  449.455   13.828  438.683   19.833  459.644   19.289  402.441   9.1199  411.993   8.6643 -9.552551 12.57939 
1 1 1  -28   11    7 f  201.687   6.4695  110.618   6.9830  106.853   10.536  113.568   9.3252  198.575   9.8190  204.799   8.4264 -6.223953 12.93899 
1 1 1  -28   11    8 o  149.941   7.7863   60.740   6.2529   62.671   9.5616   59.298   8.2652  151.982   11.643  147.900   10.342 4.081909 15.57254 
1 1 1  -28   11    9 o  190.685   6.4755   98.567   6.6249   97.949   9.9646   99.056   8.8689  190.118   9.6995  191.251   8.5818 -1.133072 12.95099 
1 1 1  -28   11   10 o  304.969   5.8492  251.637   9.6127  254.636   14.167  249.079   13.086  306.628   8.5501  303.310   7.9843 3.317566 11.69846 
1 1 1  -28   11   11 o  326.340   6.0163  288.954   10.584  267.012   15.002  310.701   14.935  313.951   8.8431  338.729   8.1598 -24.77832 12.03256 
1 1 1  -28   11   12 o  369.190   6.1272  368.773   12.184  374.899   18.033  363.626   16.528  371.973   8.9714  366.408   8.3477 5.565552 12.25440 
1 1 1  -28   11   13 o   51.261   13.813   4.3616   5.6327  -1.5047   8.7056   8.5858   7.3873   44.422   19.347   58.099   19.720 -13.67690 27.62605 
1 1 1  -28   11   14 o   72.315   14.414   14.570   5.7474   15.362   9.3653   14.092   7.2794   74.119   21.878   70.512   18.772 3.607201 28.82774 
1 1 1  -28   11   15 o  361.475   6.0991  354.231   11.875  352.233   17.479  355.944   16.185  360.483   8.9730  362.466   8.2632 -1.983154 12.19814 
1 1 1  -28   11   16 o  180.564   7.0744   88.709   6.8336   86.589   10.358   90.343   9.0932  178.592   10.733  182.537   9.2189 -3.945313 14.14884 
1 1 1  -28   11   17 o  123.725   9.9236   42.424   6.4482   38.336   10.117   45.220   8.3679  118.480   15.803  128.970   12.007 -10.49022 19.84710 
1 1 1  -28   11   18 o  456.814   9.8253  566.657   24.008  582.883   36.883  554.730   31.624  462.213   14.767  451.415   12.964 10.79767 19.65062 
1 1 1  -28   11   19 o  406.481   8.8579  448.960   19.414  460.586   28.553  438.964   26.476  411.289   12.847  401.672   12.198 9.617371 17.71578 
1 1 1  -28   11   20 o  259.614   11.764  183.356   16.503  183.356   16.503   0.0000   0.0000  259.614   11.764  ?   ?       ?      ? 
1 1 1  -28   11   21 o   61.847   15.555   7.1394   6.6164   15.586   10.972   2.3129   8.2941   75.310   23.959   48.385   19.845 26.92520 31.11029 
1 1 1  -28   11   22 o  194.428   6.8596  103.330   7.0965   98.820   10.906  106.642   9.3458  190.623   10.588  198.232   8.7248 -7.608261 13.71928 
1 1 1  -28   11   23 o  115.661   9.7767   35.895   6.0476   43.809   9.2533   29.994   7.9901  126.612   13.525  104.710   14.121 21.90128 19.55345 
1 1 1  -28   11   24 o   92.602   12.545   24.743   5.9724   20.995   9.3797   27.299   7.7455   85.344   20.579   99.861   14.354 -14.51760 25.09003 
1 1 1  -28   11   25 o  283.473   9.0136  220.512   13.598  212.523   20.926  226.351   17.890  278.730   13.894  288.217   11.487 -9.487610 18.02718 
1 1 1  -28   11   26 o  130.530   13.384   47.552   9.2187   45.180   14.483   49.167   11.953  127.405   21.038  133.656   16.550 -6.250572 26.76703 
1 1 1  -28   11   27 o  179.248   10.669   86.671   10.166   97.095   16.207   79.910   13.053  187.790   15.971  170.706   14.150 17.08356 21.33797 
1 1 1  -28   11   28 o   97.468   14.319   26.101   7.5414   0.0000   0.0000   26.101   7.5414  ?   ?    97.468   14.319      ?      ? 
1 1 1  -28   11   29 o  193.712   6.6412  102.981   6.8557   96.870   10.423  107.640   9.1013  188.465   10.235  198.960   8.4654 -10.49463 13.28235 
1 1 1  -28   11   30 o  230.078   6.1739  142.845   7.6033  152.578   11.727  135.786   9.9870  236.698   9.1685  223.458   8.2709 13.24020 12.34780 
1 1 1  -28   11   31 o   42.174   12.939  -1.8799   5.5249   2.5342   8.4235  -5.2125   7.3192   48.582   19.971   35.766   16.456 12.81659 25.87788 
1 1 1  -28   11   32 o   85.916   12.552   21.271   5.6270   19.483   8.8332   22.492   7.2999   81.644   20.145   90.188   14.979 -8.544014 25.10386 
1 1 1  -28   11   33 o   31.960   10.820 -10.2357   5.3449 -13.8507   8.1617  -7.5212   7.0724   31.238   15.193   32.682   15.409 -1.443920 21.63958 
1 1 1  -28   11   34 o  269.508   5.9955  198.568   8.6796  192.978   12.895  203.200   11.736  265.882   8.9749  273.134   7.9520 -7.251709 11.99092 
1 1 1  -28   11   35 f  128.591   8.6949   44.005   5.9250   54.369   9.5935   37.613   7.5335  140.326   12.652  116.856   11.930 23.47023 17.38972 
1 1 1  -28   11   36 o  234.669   6.3034  150.321   7.9330  151.879   12.002  149.112   10.572  235.591   9.4276  233.748   8.3697 1.843338 12.60681 
1 1 1  -28   11   37 o   62.002   14.244   10.770   5.6731   6.4691   8.4626   14.280   7.6454   54.396   20.738   69.609   19.531 -15.21305 28.48722 
1 1 1  -28   11   38 o  185.400   6.8138   95.968   6.6988   82.938   10.030  106.461   9.0007  173.504   10.698  197.296   8.4425 -23.79134 13.62768 
1 1 1  -28   11   39 o   75.075   13.598   17.215   5.5250   14.394   8.7836   19.062   7.1072   69.591   21.334   80.558   16.868 -10.96731 27.19687 
1 1 1  -28   11   40 o  110.295   11.082   34.018   6.2649   46.799   9.5983   24.531   8.2694  129.250   13.743   91.339   17.390 37.91024 22.16443 
1 1 1  -28   11   41 f   60.056   14.581   9.5910   5.7591   13.661   8.8050   6.5480   7.6135   67.624   21.457   52.487   19.750 15.13664 29.16292 
1 1 1  -28   11   42 o  110.249   10.548   34.779   6.1684   32.614   9.4847   36.365   8.1202  106.683   16.453  113.815   13.203 -7.132286 21.09542 
1 1 1  -28   11   43 o  114.328   10.147   36.376   6.1939   45.258   9.4321   29.643   8.2128  126.581   13.790  102.076   14.890 24.50585 20.29416 
1 1 1  -28   11   44 f  116.828   9.9754   38.236   6.1883   41.749   9.8585   35.952   7.9495  120.771   15.106  112.886   13.032 7.885269 19.95082 
1 1 1  -28   11   45 o   71.585   14.593   15.744   6.0509   19.982   8.8262   11.985   8.3115   80.023   20.361   63.148   20.911 16.87498 29.18693 
1 1 1  -28   11   46 o   69.589   14.327   15.301   5.9985   9.5396   8.9231   20.051   8.1025   58.628   21.507   80.549   18.935 -21.92175 28.65455 
1 1 1  -28   11   47 o   47.123   13.731   1.0642   5.9227   8.7953   9.1264  -4.5607   7.7846   57.532   21.628   36.714   16.922 20.81765 27.46149 
1 1 1  -28   11   48 o  146.380   8.5683   58.724   6.6639   74.381   10.597   48.480   8.5710  161.992   12.105  130.769   12.129 31.22321 17.13663 
1 1 1  -28   11   49 o   76.611   14.706   18.529   6.3277   24.125   9.4627   14.004   8.5103   86.859   20.492   66.364   21.099 20.49510 29.41289 
1 1 1  -28   11   50 o   52.122   14.376   6.6418   6.0488   2.4762   9.0893   9.9532   8.1039   46.857   20.083   57.388   20.574 -10.53102 28.75106 
1 1 1  -28   11   51 o   32.839   11.310 -15.3102   6.6037 -24.3224   9.5179  -6.9449   9.1699   28.423   14.260   37.254   17.559 -8.831337 22.61995 
1 1 1  -28   11   54 o   86.039   15.492   26.937   7.2661   33.606   10.929   21.655   9.7273   96.386   21.527   75.693   22.284 20.69263 30.98367 
1 1 1  -28   11   55 o   44.070   13.582  -1.4125   6.8677 -13.6304   10.259   8.5108   9.2452   34.484   16.829   53.657   21.324 -19.17332 27.16447 
1 1 1  -28   11   56 o   53.289   14.709   6.2606   6.8920   18.704   10.350  -3.6527   9.2380   68.309   23.341   38.269   17.906 30.03959 29.41824 
1 1 1  -28   12    1 o  426.579   7.6418  499.380   16.875  473.423   27.847  514.444   21.214  417.445   12.345  435.714   9.0102 -18.26935 15.28356 
1 1 1  -28   12    2 o  126.262   9.0740   43.238   6.0808   43.806   9.5696   42.853   7.8751  126.889   13.957  125.636   11.600 1.253174 18.14792 
1 1 1  -28   12    3 o  271.952   6.0542  201.099   8.8434  192.590   13.085  208.253   11.999  266.592   9.0831  277.312   8.0070 -10.71985 12.10849 
1 1 1  -28   12    4 o  308.678   6.0041  256.766   9.9296  267.992   15.195  248.400   13.118  314.493   8.9414  302.864   8.0155 11.62897 12.00822 
1 1 1  -28   12    5 o  324.785   5.9714  285.896   10.432  284.034   15.488  287.442   14.113  323.776   8.8523  325.795   8.0168 -2.018860 11.94288 
1 1 1  -28   12    6 o  111.666   10.081   34.919   5.8917   28.892   9.0337   39.380   7.7721  102.916   16.244  120.417   11.944 -17.50065 20.16284 
1 1 1  -28   12    7 o  278.015   8.0734  209.332   12.129   0.0000   0.0000  209.332   12.129  ?   ?   278.015   8.0734      ?      ? 
1 1 1  -28   12    8 o  153.280   7.6307   63.681   6.2486   64.250   9.6050   63.264   8.2278  153.824   11.555  152.736   9.9690 1.087555 15.26139 
1 1 1  -28   12    9 o  224.637   6.3399  137.348   7.6393  131.333   11.373  142.292   10.312  220.089   9.5628  229.185   8.3266 -9.096130 12.67987 
1 1 1  -28   12   10 o   71.247   12.935   11.504   5.8034   27.035   9.1461   1.0355   7.5086   97.931   17.945   44.563   18.634 53.36770 25.86960 
1 1 1  -28   12   11 o  294.139   6.0854  234.946   9.6154  229.654   14.309  239.303   12.983  291.061   9.0981  297.217   8.0841 -6.155579 12.17076 
1 1 1  -28   12   12 o  131.045   8.9668   48.126   6.1325   39.892   9.4840   54.041   8.0392  120.986   14.507  141.104   10.544 -20.11813 17.93352 
1 1 1  -28   12   13 o  458.438   6.7251  570.230   16.653  554.244   23.634  585.993   23.468  452.024   9.6757  464.853   9.3429 -12.82840 13.45026 
1 1 1  -28   12   14 o  205.714   6.6307  115.018   7.2627  113.321   11.233  116.238   9.5204  204.338   10.173  207.090   8.5076 -2.752289 13.26143 
1 1 1  -28   12   15 f  150.738   8.1441   60.804   6.5508   67.663   10.287   56.125   8.4963  157.735   12.069  143.742   10.938 13.99234 16.28823 
1 1 1  -28   12   16 o   91.047   14.109   23.659   6.7492   22.826   9.4469   24.527   9.6460   89.369   20.055   92.725   19.850 -3.355789 28.21762 
1 1 1  -28   12   17 o  244.356   8.0834  162.304   10.613  162.815   15.889  161.892   14.260  244.622   12.020  244.090   10.811 0.5316925 16.16679 
1 1 1  -28   12   18 o  389.677   8.7013  413.705   18.310  404.279   26.168  422.748   25.630  385.260   12.570  394.094   12.036 -8.833740 17.40257 
1 1 1  -28   12   19 o  310.162   11.192  261.712   18.757   0.0000   0.0000  261.712   18.757  ?   ?   310.162   11.192      ?      ? 
1 1 1  -28   12   20 o  120.459   10.264   40.463   6.5053   35.747   10.071   43.840   8.5215  114.120   16.332  126.798   12.437 -12.67785 20.52839 
1 1 1  -28   12   21 o  153.091   10.100   65.436   8.0782   70.070   10.417   58.446   12.794  160.311   12.025  145.871   16.232 14.44020 20.20084 
1 1 1  -28   12   22 o  451.639   9.2345  554.127   22.537   0.0000   0.0000  554.127   22.537  ?   ?   451.639   9.2345      ?      ? 
1 1 1  -28   12   23 o  153.600   7.9100   64.987   6.4333   60.221   9.9426   68.419   8.4376  148.562   12.385  158.638   9.8429 -10.07574 15.82009 
1 1 1  -28   12   24 o  192.415   9.3068  103.453   8.2144   96.869   16.592  105.591   9.4544  187.663   16.362  197.167   8.8738 -9.504135 18.61362 
1 1 1  -28   12   25 o  176.119   10.593   83.606   9.8069   91.869   16.131   78.761   12.352  182.623   16.346  169.615   13.476 13.00836 21.18530 
1 1 1  -28   12   26 o   67.065   17.741   8.0756   8.4111   16.777   14.561   3.7185   10.304   79.546   27.661   54.583   22.222 24.96359 35.48189 
1 1 1  -28   12   27 o  254.859   8.2694  176.539   11.388   0.0000   0.0000  176.539   11.388  ?   ?   254.859   8.2694      ?      ? 
1 1 1  -28   12   28 o  124.724   9.6291   45.273   6.0355   34.569   9.8363   51.736   7.6435  111.743   16.290  137.704   10.272 -25.96059 19.25822 
1 1 1  -28   12   29 o  235.645   6.1607  151.491   7.7766  148.249   11.729  154.035   10.388  233.268   9.3049  238.021   8.0769 -4.752380 12.32140 
1 1 1  -28   12   30 o  214.828   6.5473  125.869   7.5003  125.179   11.565  126.370   9.8534  214.167   9.9932  215.488   8.4620 -1.321716 13.09468 
1 1 1  -28   12   31 o  167.288   7.3405   76.666   6.5622   75.262   10.001   77.727   8.6960  165.790   11.164  168.786   9.5344 -2.996384 14.68090 
1 1 1  -28   12   32 o  164.869   7.3684   72.532   6.4471   84.263   10.374   65.152   8.2291  175.347   10.949  154.391   9.8638 20.95575 14.73682 
1 1 1  -28   12   33 o  103.929   10.794   28.999   5.7294   41.933   9.1871   20.768   7.3293  123.042   13.818   84.815   16.586 38.22684 21.58767 
1 1 1  -28   12   34 o   78.740   13.470   18.247   5.5680   18.017   8.9579   18.391   7.1078   77.963   20.856   79.517   17.053 -1.554550 26.94044 
1 1 1  -28   12   35 f  191.697   7.0109  101.719   7.1132   95.207   11.037  106.345   9.3028  186.092   10.976  197.303   8.7255 -11.21133 14.02182 
1 1 1  -28   12   36 o  217.119   6.5812  129.964   7.6003  123.785   11.673  134.511   10.014  212.325   10.174  221.913   8.3506 -9.588013 13.16232 
1 1 1  -28   12   37 o   47.821   12.893   2.1503   5.5955 -10.1172   8.8742   10.246   7.2091   35.600   16.925   60.042   19.454 -24.44117 25.78642 
1 1 1  -28   12   38 o  105.262   10.149   30.768   5.7181   33.338   8.8323   28.913   7.5026  108.823   15.020  101.700   13.652 7.122368 20.29724 
1 1 1  -28   12   39 o   88.653   12.934   22.741   5.9250   27.479   9.3119   19.518   7.6803   96.276   18.572   81.031   18.008 15.24576 25.86891 
1 1 1  -28   12   40 o  133.631   8.7839   49.748   6.2336   50.514   9.7837   49.225   8.0877  134.101   13.502  133.161   11.240 0.9399872 17.56776 
1 1 1  -28   12   41 o  157.436   7.9721   69.995   6.5978   63.276   10.305   74.664   8.5892  150.348   12.684  164.524   9.6613 -14.17647 15.94416 
1 1 1  -28   12   42 f  138.661   8.9281   54.346   6.6131   50.500   9.9003   57.444   8.8862  133.745   13.699  143.576   11.454 -9.830627 17.85625 
1 1 1  -28   12   43 o   54.840   14.338   6.1921   5.9031   13.234   9.0508   0.9788   7.7874   66.201   21.817   43.478   18.610 22.72345 28.67609 
1 1 1  -28   12   44 o  123.745   9.6957   43.738   6.3925   42.177   9.7748   44.904   8.4500  121.241   14.920  126.250   12.386 -5.009155 19.39132 
1 1 1  -28   12   45 o   64.705   14.974   11.638   6.2578   19.157   9.6702   6.2207   8.2081   77.419   22.051   51.990   20.264 25.42908 29.94776 
1 1 1  -28   12   46 o   63.143   15.208   11.955   6.1629   12.232   9.5138   11.756   8.0897   63.934   22.351   62.352   20.630 1.581821 30.41662 
1 1 1  -28   12   47 o   66.696   15.300   13.834   6.2297   15.355   9.7290   12.778   8.1105   69.310   22.609   64.081   20.622 5.228676 30.60066 
1 1 1  -28   12   48 o   44.804   13.617   1.1612   6.0839  -3.8717   9.7102   4.4138   7.8060   41.768   19.121   47.841   19.392 -6.073662 27.23322 
1 1 1  -28   12   49 o   92.982   12.963   26.400   6.3694   32.429   9.6082   21.674   8.5074  103.696   17.147   82.268   19.445 21.42743 25.92527 
1 1 1  -28   12   50 o   33.671   11.467 -10.1215   6.1186 -11.1434   9.3492  -9.3559   8.0923   34.624   16.700   32.718   15.718 1.905636 22.93353 
1 1 1  -28   12   53 o   53.553   17.179   4.9361   10.713   7.0270   15.970   3.2252   14.446   55.620   25.088   51.486   23.474 4.134201 34.35777 
1 1 1  -28   12   54 o   49.374   14.627   4.7519   6.6553   9.4103   9.8848   0.8892   9.0010   55.442   22.044   43.305   19.233 12.13766 29.25480 
1 1 1  -28   12   55 o   45.726   14.115   2.0675   6.7368   8.6673   10.081  -3.2580   9.0557   52.989   21.823   38.464   17.908 14.52477 28.23000 
1 1 1  -28   13    1 o  210.335   7.1297  122.605   7.8082  109.595   12.487  130.959   10.006  200.841   11.505  219.830   8.4233 -18.98936 14.25930 
1 1 1  -28   13    2 o  517.868   7.2869  727.892   20.387  707.655   28.771  748.301   28.892  510.610   10.427  525.125   10.182 -14.51505 14.57389 
1 1 1  -28   13    3 o  123.428   9.3288   42.051   6.1002   37.975   9.3288   45.096   8.0630  118.026   14.627  128.830   11.582 -10.80463 18.65751 
1 1 1  -28   13    4 o  123.849   9.3055   41.277   6.1825   45.606   9.4643   38.054   8.1655  129.425   13.533  118.273   12.776 11.15203 18.61109 
1 1 1  -28   13    5 o  156.665   7.7181   66.899   6.4767   64.587   9.7330   68.736   8.6767  154.169   11.683  159.160   10.089 -4.991241 15.43623 
1 1 1  -28   13    6 o  277.583   8.2027  208.777   12.304   0.0000   0.0000  208.777   12.304  ?   ?   277.583   8.2027      ?      ? 
1 1 1  -28   13    7 o  236.840   9.4355  152.132   12.076  152.132   12.076   0.0000   0.0000  236.840   9.4355  ?   ?       ?      ? 
1 1 1  -28   13    8 o  238.733   6.3248  155.393   8.0907  146.781   12.054  162.453   10.914  232.618   9.5899  244.848   8.2492 -12.22984 12.64968 
1 1 1  -28   13    9 f   55.207   14.470   5.8151   5.7333   9.8693   9.0470   3.0941   7.4116   62.865   21.806   47.549   19.028 15.31650 28.94096 
1 1 1  -28   13   10 o   86.732   12.749   20.902   5.6941   24.030   9.0487   18.851   7.3267   91.962   18.842   81.501   17.178 10.46085 25.49733 
1 1 1  -28   13   11 o  262.618   8.2711  186.922   11.738   0.0000   0.0000  186.922   11.738  ?   ?   262.618   8.2711      ?      ? 
1 1 1  -28   13   12 o   97.042   12.128   25.386   6.0392   39.406   9.4073   15.558   7.8766  120.179   14.486   73.904   19.456 46.27520 24.25687 
1 1 1  -28   13   13 o   64.867   14.353   10.045   6.4703  -0.4215   9.4399   19.320   8.8861   47.574   20.430   82.160   20.165 -34.58566 28.70601 
1 1 1  -28   13   14 o  272.200   8.1331  202.762   11.873  188.716   17.514  214.707   16.152  263.293   12.310  281.107   10.633 -17.81445 16.26629 
1 1 1  -28   13   15 o  355.622   8.4644  344.411   16.227  341.892   23.736  346.622   22.234  354.304   12.398  356.939   11.527 -2.635284 16.92890 
1 1 1  -28   13   16 o  426.237   8.9895  494.835   20.663  501.577   30.287  488.964   28.263  428.843   13.070  423.630   12.346 5.212799 17.97907 
1 1 1  -28   13   17 o  364.949   7.4962  364.829   13.994  354.054   23.837  370.496   17.286  360.408   12.240  369.491   8.6578 -9.083405 14.99239 
1 1 1  -28   13   18 o   93.840   12.789   24.662   6.1590   27.289   9.7441   22.914   7.9480   97.800   19.123   89.880   16.987 7.920807 25.57852 
1 1 1  -28   13   19 o  209.325   6.7384  117.551   7.4630  126.379   12.007  111.993   9.5269  215.544   10.309  203.105   8.6804 12.43901 13.47672 
1 1 1  -28   13   20 o  277.927   8.3436  214.532   10.795  202.635   21.403  218.591   12.502  272.020   14.561  283.835   8.1515 -11.81479 16.68724 
1 1 1  -28   13   21 o  143.186   9.0130   58.615   6.6428   43.667   10.164   69.761   8.7766  126.221   14.902  160.150   10.142 -33.92915 18.02592 
1 1 1  -28   13   22 o  163.036   9.2781   73.561   8.0463   79.167   10.750   66.419   12.133  170.385   11.676  155.688   14.422 14.69681 18.55628 
1 1 1  -28   13   23 o  127.569   12.660   42.694   7.2705   49.324   15.847   40.927   8.1825  132.750   22.092  122.388   12.372 10.36147 25.32056 
1 1 1  -28   13   24 o   69.652   18.280   11.337   9.0003   8.5405   15.150   12.863   11.189   69.151   27.355   70.154   24.255 -1.003441 36.55973 
1 1 1  -28   13   25 f  263.009   9.1146  190.521   12.737  184.167   19.721  195.068   16.682  258.862   14.098  267.156   11.556 -8.294037 18.22914 
1 1 1  -28   13   26 o   68.058   14.651   13.198   5.8852   11.562   8.9115   14.464   7.8374   65.284   21.655   70.832   19.739 -5.548691 29.30134 
1 1 1  -28   13   27 o  272.487   6.2211  203.457   9.0812  189.505   13.471  215.079   12.295  263.712   9.4535  281.263   8.0895 -17.55087 12.44218 
1 1 1  -28   13   28 o   54.126   12.238   4.8041   5.5696 -12.4257   8.9346   15.755   7.1230   34.497   16.558   73.755   18.025 -39.25784 24.47562 
1 1 1  -28   13   29 o  143.949   8.4391   58.582   6.2811   49.821   10.026   64.243   8.0588  134.457   13.799  153.441   9.7193 -18.98468 16.87816 
1 1 1  -28   13   30 o  171.241   7.3053   78.767   6.6523   88.024   10.589   72.731   8.5503  179.283   10.930  163.200   9.6956 16.08316 14.61057 
1 1 1  -28   13   31 o  217.745   6.4788  129.585   7.5463  128.577   11.490  130.350   10.007  216.833   9.8065  218.657   8.4694 -1.824539 12.95752 
1 1 1  -28   13   32 o  129.428   9.1792   45.309   6.3415   56.449   9.7471   37.132   8.3504  143.013   12.613  115.844   13.340 27.16824 18.35837 
1 1 1  -28   13   33 o  121.785   9.6737   41.197   6.2787   40.728   9.6764   41.537   8.2516  120.916   14.810  122.654   12.450 -1.737900 19.34749 
1 1 1  -28   13   34 o  142.367   8.6312   56.198   6.5596   54.459   9.9947   57.513   8.6940  140.164   13.196  144.571   11.129 -4.406433 17.26233 
1 1 1  -28   13   35 o  111.223   10.283   33.799   6.1063   41.828   9.4298   28.001   8.0134  122.415   14.255  100.030   14.825 22.38576 20.56698 
1 1 1  -28   13   36 o   66.526   14.481   11.756   5.8919   19.370   9.2771   6.6079   7.6277   80.059   21.134   52.994   19.802 27.06509 28.96145 
1 1 1  -28   13   37 o  189.713   7.0825   99.408   7.1725   96.764   10.946  101.397   9.4948  187.202   10.821  192.224   9.1409 -5.022003 14.16504 
1 1 1  -28   13   38 o   97.965   11.816   27.884   6.0626   26.404   8.9949   29.116   8.2069   94.382   18.297  101.547   14.956 -7.164795 23.63217 
1 1 1  -28   13   39 o  157.673   8.3249   71.728   6.8095   56.624   10.439   82.917   8.9844  141.906   13.613  173.441   9.5863 -31.53479 16.64980 
1 1 1  -28   13   40 o  114.238   11.629   40.819   6.3680   26.742   9.9821   50.479   8.2692   93.735   20.295  134.742   11.357 -41.00695 23.25715 
1 1 1  -28   13   41 o  194.216   6.9920  105.012   7.2694   98.207   10.824  110.604   9.8115  188.087   10.650  200.346   9.0629 -12.25859 13.98392 
1 1 1  -28   13   42 o   43.714   13.036  -2.2432   6.1134 -14.1810   9.1739   7.2927   8.1993   33.205   16.140   54.223   20.475 -21.01736 26.07142 
1 1 1  -28   13   43 o   80.061   13.351   20.959   6.2442   8.7634   9.6502   29.742   8.1897   58.314   22.166  101.808   14.887 -43.49391 26.70137 
1 1 1  -28   13   44 o  182.576   7.4651   93.743   7.2750   87.811   10.960   98.416   9.7271  176.845   11.469  188.307   9.5593 -11.46198 14.93015 
1 1 1  -28   13   45 o  169.416   7.9016   80.695   7.1344   78.687   10.945   82.179   9.4078  167.038   12.126  171.794   10.134 -4.755676 15.80317 
1 1 1  -28   13   46 o   54.458   14.365   5.5173   5.9989   14.694   9.5371  -0.4907   7.7167   68.044   22.394   40.872   17.997 27.17142 28.72910 
1 1 1  -28   13   47 o   62.032   14.889   10.495   6.1481   18.223   9.6751   5.2605   7.9624   74.596   22.289   49.469   19.748 25.12762 29.77898 
1 1 1  -28   13   48 o   67.539   14.743   15.039   6.6125   5.5414   10.331   21.632   8.6065   52.968   21.978   82.109   19.658 -29.14079 29.48683 
1 1 1  -28   13   49 o   36.319   12.044  -7.7479   6.2761 -16.7647   9.6509  -1.1401   8.2617   32.082   15.792   40.555   18.190 -8.472958 24.08869 
1 1 1  -28   13   50 f   48.582   24.498 -63.1081   30.037   0.0000   0.0000 -63.1081   30.037  ?   ?    48.582   24.498      ?      ? 
1 1 1  -28   13   52 o   33.342   16.784 -31.9595   13.771   0.0000   0.0000 -31.9595   13.771  ?   ?    33.342   16.784      ?      ? 
1 1 1  -28   13   53 o   57.313   15.345   8.8391   6.7920   18.428   10.720   2.4080   8.7790   70.006   23.755   44.620   19.431 25.38648 30.68986 
1 1 1  -28   13   54 f   92.014   15.069   30.636   7.3444   28.640   10.821   32.342   10.001   87.395   22.707   96.634   19.817 -9.238663 30.13828 
1 1 1  -28   14    1 o  284.043   6.0897  218.863   9.3014  217.833   13.837  219.712   12.564  283.382   9.0358  284.704   8.1665 -1.322479 12.17937 
1 1 1  -28   14    2 o  161.184   7.6540   71.789   6.5527   60.158   9.6231   81.844   8.9476  148.703   11.976  173.665   9.5347 -24.96216 15.30798 
1 1 1  -28   14    3 o  317.094   8.2845  272.563   14.195   0.0000   0.0000  272.563   14.195  ?   ?   317.094   8.2845      ?      ? 
1 1 1  -28   14    4 o  134.621   8.6439   48.651   6.2215   53.805   9.6839   45.028   8.1186  140.568   12.749  128.674   11.676 11.89343 17.28784 
1 1 1  -28   14    5 o  223.463   8.6076  135.402   10.394   0.0000   0.0000  135.402   10.394  ?   ?   223.463   8.6076      ?      ? 
1 1 1  -28   14    6 o  275.239   6.1195  204.523   9.0443  213.211   13.690  197.794   12.048  280.358   9.0369  270.121   8.2538 10.23712 12.23891 
1 1 1  -28   14    7 o  215.053   6.5573  125.233   7.5596  127.439   11.479  123.543   10.045  216.668   9.8046  213.437   8.7098 3.231186 13.11451 
1 1 1  -28   14    8 o  399.968   8.8027  433.900   19.025   0.0000   0.0000  433.900   19.025  ?   ?   399.968   8.8027      ?      ? 
1 1 1  -28   14    9 o  143.574   8.5919   56.678   6.5788   51.916   9.8821   60.468   8.8165  138.002   13.252  149.145   10.939 -11.14392 17.18380 
1 1 1  -28   14   10 o  370.186   8.7879  371.754   17.579   0.0000   0.0000  371.754   17.579  ?   ?   370.186   8.7879      ?      ? 
1 1 1  -28   14   11 o  381.601   8.4592  396.164   17.401  401.126   25.582  391.892   23.738  383.729   12.337  379.473   11.577 4.256744 16.91830 
1 1 1  -28   14   12 o  189.820   8.6818   98.963   8.8173   91.284   13.105  105.315   11.919  182.905   13.259  196.736   11.211 -13.83063 17.36362 
1 1 1  -28   14   13 o  223.271   8.6339  138.209   10.235  116.577   15.098  156.599   13.921  206.607   13.524  239.934   10.737 -33.32773 17.26788 
1 1 1  -28   14   14 o  153.430   10.338   62.771   8.4341   74.009   13.480   55.541   10.812  164.346   15.179  142.515   14.039 21.83101 20.67610 
1 1 1  -28   14   15 o   66.722   15.897   10.656   6.3883   15.459   11.565   8.5471   7.6638   75.330   24.653   58.115   20.075 17.21515 31.79302 
1 1 1  -28   14   16 o  147.090   8.6232   60.566   6.6092   52.226   10.413   66.193   8.5529  138.172   13.946  156.008   10.146 -17.83574 17.24633 
1 1 1  -28   14   17 o   95.933   12.694   26.416   6.1986   23.558   10.011   28.194   7.8936   90.386   20.913  101.481   14.395 -11.09495 25.38813 
1 1 1  -28   14   18 o  212.972   6.8252  122.873   7.7519  125.814   12.034  120.788   10.135  215.046   10.356  210.898   8.8930 4.148193 13.65032 
1 1 1  -28   14   19 o  396.063   8.7471  426.005   18.721   0.0000   0.0000  426.005   18.721  ?   ?   396.063   8.7471      ?      ? 
1 1 1  -28   14   20 o  129.154   9.5396   42.299   6.4056   62.375   10.842   31.532   7.9395  150.993   13.288  107.315   13.691 43.67835 19.07928 
1 1 1  -28   14   21 o  232.629   9.4686  155.001   9.6442  136.486   20.428  160.311   10.940  222.316   17.005  242.943   8.3336 -20.62653 18.93722 
1 1 1  -28   14   22 o   90.788   16.500   15.762   9.1049   48.514   16.357   1.0592   10.960  129.037   24.352   52.540   22.270 76.49701 32.99955 
1 1 1  -28   14   23 o   52.212   16.549  -4.0820   9.1608  -6.0450   15.945  -3.1149   11.192   55.992   25.180   48.432   21.481 7.560329 33.09779 
1 1 1  -28   14   24 f  104.129   17.624   31.378   9.4019   34.505   16.150   29.775   11.563  107.271   27.677  100.987   21.827 6.283905 35.24817 
1 1 1  -28   14   25 o  127.011   9.6287   43.333   6.5272   51.505   10.248   37.755   8.4669  136.812   13.862  117.210   13.368 19.60197 19.25746 
1 1 1  -28   14   26 o  242.395   6.3646  158.830   8.2142  166.863   12.893  153.342   10.657  247.371   9.6453  237.418   8.3068 9.952866 12.72928 
1 1 1  -28   14   27 o   83.319   13.789   20.153   5.9986   20.466   9.5515   19.949   7.7083   83.534   21.142   83.103   17.707 0.4308624 27.57744 
1 1 1  -28   14   28 f  203.233   6.8966  111.118   7.4701  122.623   11.776  103.369   9.6634  211.786   10.290  194.681   9.1858 17.10483 13.79328 
1 1 1  -28   14   29 o   69.182   14.457   12.340   5.8432   20.632   9.6112   7.4773   7.3594   83.520   21.246   54.844   19.613 28.67653 28.91413 
1 1 1  -28   14   30 o  152.843   7.9879   64.004   6.4934   65.245   10.160   63.146   8.4427  153.875   12.219  151.811   10.292 2.064468 15.97589 
1 1 1  -28   14   31 f  183.508   7.2169   92.737   7.0279   89.877   10.932   94.752   9.1753  180.821   11.188  186.195   9.1194 -5.373901 14.43370 
1 1 1  -28   14   32 o  201.948   10.590  111.988   11.557  111.988   11.557   0.0000   0.0000  201.948   10.590  ?   ?       ?      ? 
1 1 1  -28   14   33 o   55.896   14.167   7.2136   5.9066   0.2486   9.0340   12.414   7.8062   46.360   19.949   65.432   20.121 -19.07114 28.33457 
1 1 1  -28   14   34 o   55.944   14.147   7.6031   5.7457   2.1477   8.6569   11.898   7.6815   47.850   20.008   64.039   20.004 -16.18926 28.29301 
1 1 1  -28   14   35 f  107.552   10.786   32.309   6.1713   34.212   9.7177   31.023   7.9891  109.846   16.372  105.258   14.046 4.587463 21.57128 
1 1 1  -28   14   36 o   58.055   14.759   8.3398   5.8124   11.527   9.3162   6.3088   7.4374   64.106   22.135   52.004   19.529 12.10281 29.51857 
1 1 1  -28   14   37 o   83.363   13.714   19.896   6.0162   27.757   9.6827   14.953   7.6782   96.269   19.285   70.456   19.504 25.81321 27.42834 
1 1 1  -28   14   38 o  227.452   6.6310  142.980   8.0395  139.473   12.341  145.567   10.597  224.639   10.166  230.266   8.5163 -5.627365 13.26202 
1 1 1  -28   14   39 o  125.377   9.5718   44.295   6.3016   44.026   10.149   44.463   8.0391  124.456   15.091  126.298   11.779 -1.842255 19.14365 
1 1 1  -28   14   40 o   41.168   12.818  -1.9561   5.8212  -9.6622   9.4356   2.7792   7.3966   37.017   17.556   45.319   18.682 -8.302555 25.63640 
1 1 1  -28   14   41 o   89.464   13.279   23.711   6.1354   28.440   9.7060   20.564   7.9180   96.630   19.264   82.298   18.280 14.33212 26.55713 
1 1 1  -28   14   42 f   62.322   14.084   8.5219   5.9351   21.463   9.6732   0.7089   7.5161   82.365   21.503   42.279   18.195 40.08612 28.16768 
1 1 1  -28   14   43 o  183.476   7.4458   93.118   7.2526   98.497   11.500   89.566   9.3455  187.353   11.359  179.598   9.6297 7.754700 14.89166 
1 1 1  -28   14   44 o   81.572   14.519   21.520   6.4166   17.338   10.126   24.327   8.2944   73.619   22.963   89.524   17.773 -15.90513 29.03748 
1 1 1  -28   14   45 o   57.730   11.851   3.8792   6.3322 -23.6759   9.9676   22.524   8.1992   30.115   15.031   85.346   18.326 -55.23073 23.70201 
1 1 1  -28   14   46 o   48.294   14.388   1.7563   6.5627   7.8348   9.8956  -3.0162   8.7683   56.155   22.141   40.433   18.378 15.72153 28.77505 
1 1 1  -28   14   47 o   87.535   13.704   22.532   6.7175   39.658   10.690   11.357   8.6355  114.577   17.266   60.493   21.286 54.08425 27.40832 
1 1 1  -28   14   48 o   40.504   13.196  -3.7556   6.6634  -5.4591   10.171  -2.4749   8.8194   40.615   18.933   40.392   18.387 0.2236176 26.39209 
1 1 1  -28   14   49 o   73.094   28.609   18.694   16.413   18.694   16.413   0.0000   0.0000   73.094   28.609  ?   ?       ?      ? 
1 1 1  -28   14   51 o   90.191   28.457   35.811   15.504   0.0000   0.0000   35.811   15.504  ?   ?    90.191   28.457      ?      ? 
1 1 1  -28   14   52 o   30.974   10.858 -17.6799   6.7966 -20.9926   10.593 -15.3618   8.8611   31.581   15.720   30.368   14.983 1.212656 21.71655 
1 1 1  -28   14   53 o   65.613   16.152   16.300   7.0116   16.175   10.469   16.402   9.4420   65.038   23.378   66.187   22.295 -1.148964 32.30480 
1 1 1  -28   15    1 o  219.601   6.5528  131.380   7.7302  126.836   11.458  135.175   10.472  216.036   9.8154  223.166   8.6842 -7.130280 13.10560 
1 1 1  -28   15    2 o   99.403   11.727   28.646   5.9145   22.085   8.9871   33.659   7.8553   87.763   19.461  111.043   13.091 -23.28069 23.45433 
1 1 1  -28   15    3 o  311.031   8.3250  262.464   13.992   0.0000   0.0000  262.464   13.992  ?   ?   311.031   8.3250      ?      ? 
1 1 1  -28   15    4 f   71.430   13.921   13.060   6.1182   23.957   9.1795   4.3494   8.2067   91.526   19.174   51.333   20.188 40.19373 27.84259 
1 1 1  -28   15    5 o   88.460   13.288   22.471   6.1145   21.480   9.2590   23.237   8.1425   86.434   20.189   90.486   17.283 -4.052391 26.57626 
1 1 1  -28   15    6 f  142.182   8.6411   55.062   6.5931   55.573   9.9443   54.660   8.8070  142.698   12.896  141.666   11.505 1.032425 17.28224 
1 1 1  -28   15    7 o  182.359   8.1543   89.773   7.9973   82.103   10.700   99.482   12.038  173.629   11.404  191.089   11.658 -17.46040 16.30852 
1 1 1  -28   15    8 f  187.699   8.8232   94.643   8.8805  110.293   13.565   82.905   11.748  201.070   12.485  174.329   12.471 26.74098 17.64646 
1 1 1  -28   15    9 o  162.277   9.7995   71.277   8.5087   86.892   12.687   58.514   11.471  178.361   13.164  146.194   14.520 32.16673 19.59900 
1 1 1  -28   15   10 o  211.882   8.2515  119.797   9.3420  140.743   14.592  105.248   12.161  227.215   11.884  196.548   11.450 30.66695 16.50300 
1 1 1  -28   15   11 o  315.104   8.0463  270.413   13.665  271.622   20.076  269.369   18.654  315.669   11.769  314.538   10.975 1.130737 16.09262 
1 1 1  -28   15   12 o  138.055   9.9805   51.847   7.1835   53.311   11.901   51.007   9.0099  139.358   15.804  136.751   12.193 2.607452 19.96095 
1 1 1  -28   15   14 o  193.070   7.1230  101.565   7.3424  100.111   11.245  102.646   9.6940  191.762   10.852  194.378   9.2293 -2.616074 14.24603 
1 1 1  -28   15   15 o   93.788   12.990   24.731   6.1962   26.622   10.095   23.588   7.8485   96.299   20.052   91.278   16.520 5.021729 25.98089 
1 1 1  -28   15   16 o  176.261   7.7562   86.356   7.1596   76.766   11.256   92.871   9.2782  167.670   12.424  184.851   9.2887 -17.18095 15.51235 
1 1 1  -28   15   17 o  221.531   6.7388  133.455   7.9527  133.561   12.326  133.379   10.409  221.484   10.299  221.577   8.6938 -0.9274292E-01 13.47754 
1 1 1  -28   15   18 o   79.917   14.367   19.115   6.2974   13.572   9.8862   22.900   8.1691   70.274   22.783   89.559   17.508 -19.28443 28.73322 
1 1 1  -28   15   19 o  236.580   6.5410  152.423   8.2416  151.424   12.760  153.138   10.795  235.773   10.016  237.387   8.4157 -1.614761 13.08192 
1 1 1  -28   15   20 o   87.214   13.785   21.132   6.2387   27.154   10.059   17.366   7.9532   96.967   19.865   77.461   19.117 19.50620 27.56970 
1 1 1  -28   15   21 o  227.951   9.0523  128.688   9.3102  168.671   20.800  118.671   10.411  247.135   15.576  208.766   9.2292 38.36810 18.10466 
1 1 1  -28   15   22 o  102.843   18.044   31.460   9.5898   30.631   16.684   31.869   11.719  101.058   29.023  104.629   21.448 -3.571129 36.08824 
1 1 1  -28   15   23 o  213.323   10.929  127.021   12.197  120.631   19.602  131.059   15.581  208.247   17.420  218.399   13.203 -10.15163 21.85768 
1 1 1  -28   15   24 o  219.383   8.2045  132.430   9.5865  135.815   12.635  127.838   14.717  222.971   10.486  215.794   12.621 7.177292 16.40909 
1 1 1  -28   15   25 o   55.892   15.105   6.4798   6.3714   4.1799   9.9315   8.0884   8.3058   54.139   21.898   57.646   20.810 -3.507332 30.20925 
1 1 1  -28   15   26 o  213.822   6.9131  124.480   7.7857  126.575   12.536  123.164   9.9337  215.033   10.789  212.611   8.6464 2.422089 13.82611 
1 1 1  -28   15   27 o  210.289   6.7888  121.327   7.5654  118.280   11.840  123.430   9.8347  207.803   10.545  212.775   8.5537 -4.972015 13.57768 
1 1 1  -28   15   28 o  169.612   7.7011   78.793   6.9814   80.026   10.724   77.886   9.1970  170.575   11.635  168.649   10.092 1.925995 15.40210 
1 1 1  -28   15   29 o   50.349   14.204   3.1391   5.8808   7.9596   9.1546  -0.2477   7.6734   58.258   21.708   42.439   18.324 15.81926 28.40791 
1 1 1  -28   15   30 o  169.778   7.6911   81.127   6.8728   67.476   10.370   91.820   9.1781  156.341   12.275  183.215   9.2705 -26.87431 15.38226 
1 1 1  -28   15   31 o   50.042   14.342   3.6901   5.9293   4.0426   9.4370   3.4602   7.6215   52.377   21.289   47.707   19.223 4.669804 28.68358 
1 1 1  -28   15   32 o   70.679   14.555   14.777   5.8481   14.851   9.0362   14.723   7.6714   70.887   21.622   70.471   19.490 0.4156876 29.10983 
1 1 1  -28   15   33 o   45.964   13.704  -0.1839   5.7695   6.1474   9.5387  -3.8365   7.2451   55.347   21.765   36.580   16.657 18.76678 27.40806 
1 1 1  -28   15   34 o   40.012   12.770  -3.5845   5.7121  -1.1808   9.1534  -5.1176   7.3102   44.639   19.629   35.386   16.341 9.253174 25.54050 
1 1 1  -28   15   35 o   56.526   14.246   8.2064   5.7892   2.6754   9.0819   11.992   7.5136   49.211   20.528   63.842   19.759 -14.63060 28.49224 
1 1 1  -28   15   36 o  151.289   8.4005   63.778   6.7969   63.478   10.357   64.006   9.0079  150.644   12.724  151.934   10.972 -1.290100 16.80097 
1 1 1  -28   15   37 o   78.114   14.746   19.002   6.3334   16.448   9.9731   20.728   8.1988   73.274   22.778   82.954   18.733 -9.679497 29.49200 
1 1 1  -28   15   38 o   65.056   14.026   9.8888   6.1955   22.945   9.5586   0.4300   8.1360   86.346   20.745   43.767   18.882 42.57837 28.05197 
1 1 1  -28   15   39 o  192.801   7.3340  104.526   7.5027   94.507   11.400  112.183   9.9652  183.971   11.467  201.630   9.1462 -17.65961 14.66802 
1 1 1  -28   15   40 o   84.267   13.951   22.390   6.2140   18.898   9.6690   24.847   8.1107   77.360   22.055   91.173   17.091 -13.81348 27.90188 
1 1 1  -28   15   41 o   47.920   13.860   3.5830   5.8465  -1.6096   9.6637   6.5808   7.3427   44.417   19.815   51.422   19.386 -7.004395 27.72093 
1 1 1  -28   15   42 o   57.269   15.055   8.1407   5.9818   12.101   10.208   6.0693   7.3821   64.084   23.079   50.453   19.337 13.63125 30.10913 
1 1 1  -28   15   43 o   63.339   14.516   9.7439   6.1664   21.213   9.8478   2.3468   7.9088   81.358   21.911   45.320   19.048 36.03786 29.03291 
1 1 1  -28   15   44 o   78.276   14.638   20.596   6.4947   13.690   10.388   25.028   8.3218   66.178   23.339   90.375   17.674 -24.19701 29.27619 
1 1 1  -28   15   45 o  167.263   8.8016   79.463   7.8269   81.224   12.249   78.247   10.175  168.068   13.487  166.458   11.312 1.610947 17.60326 
1 1 1  -28   15   46 o  113.021   12.614   41.713   6.9301   29.642   10.936   49.812   8.9582   94.486   21.855  131.556   12.601 -37.06979 25.22759 
1 1 1  -28   15   47 f   61.607   16.024   11.754   6.8596   14.241   11.088   10.212   8.7310   65.431   23.979   57.784   21.263 7.647011 32.04834 
1 1 1  -28   15   48 o   34.739   17.246 -24.5495   12.418   0.0000   0.0000 -24.5495   12.418  ?   ?    34.739   17.246      ?      ? 
1 1 1  -28   15   50 o   51.316   22.999   4.2004   13.180   0.0000   0.0000   4.2004   13.180  ?   ?    51.316   22.999      ?      ? 
1 1 1  -28   15   51 o   47.552   14.658   2.3134   7.3987  -4.2667   10.966   7.8121   10.024   41.954   19.590   53.150   21.810 -11.19634 29.31686 
1 1 1  -28   15   52 o   56.369   14.310   7.4750   7.2111  -9.7185   10.810   21.262   9.6798   37.381   18.011   75.357   22.242 -37.97673 28.61972 
1 1 1  -28   16    1 o  134.747   8.5873   49.454   6.2384   50.537   9.1781   48.524   8.5051  136.081   12.482  133.414   11.797 2.667068 17.17469 
1 1 1  -28   16    2 o  366.172   9.0362  364.176   17.880   0.0000   0.0000  364.176   17.880  ?   ?   366.172   9.0362      ?      ? 
1 1 1  -28   16    3 o  306.017   7.1794  254.967   11.781  256.928   15.750  252.477   17.749  307.483   9.4793  304.550   10.785 2.932922 14.35879 
1 1 1  -28   16    4 o   51.873   14.934   2.5755   6.6852  -0.6946   9.2475   6.1554   9.6756   46.592   20.116   57.153   22.077 -10.56118 29.86728 
1 1 1  -28   16    5 o  223.664   8.1610  136.577   9.8237  133.243   14.456  139.437   13.391  221.028   12.103  226.300   10.951 -5.271332 16.32196 
1 1 1  -28   16    6 o  193.467   8.6630  101.893   9.0262  104.685   13.397   99.572   12.215  195.825   12.660  191.108   11.828 4.716812 17.32596 
1 1 1  -28   16    7 o  133.199   10.909   49.090   7.7777   42.432   11.178   55.338   10.829  124.201   16.656  142.196   14.093 -17.99469 21.81785 
1 1 1  -28   16    8 o   76.707   15.896   16.686   7.0614   19.329   10.048   14.108   9.9254   81.887   22.166   71.528   22.791 10.35881 31.79257 
1 1 1  -28   16    9 o  224.796   7.2980  138.014   8.5308  135.586   14.066  139.427   10.729  223.004   11.673  226.587   8.7628 -3.582520 14.59600 
1 1 1  -28   16   10 o   71.571   14.957   13.722   6.2926   19.840   9.6630   9.2169   8.2917   82.871   21.422   60.271   20.878 22.60016 29.91307 
1 1 1  -28   16   11 o   66.272   15.100   12.045   6.2372   8.9161   9.4884   14.426   8.2766   61.376   22.229   71.169   20.442 -9.792889 30.19971 
1 1 1  -28   16   12 o  163.699   8.1518   74.644   7.0320   64.396   10.745   82.322   9.3003  153.457   12.958  173.941   9.8948 -20.48349 16.30365 
1 1 1  -28   16   13 o  156.347   8.2834   66.507   6.9453   68.425   10.552   65.040   9.2255  158.243   12.340  154.451   11.054 3.792358 16.56684 
1 1 1  -28   16   14 o  219.656   6.9167  130.707   8.0933  134.986   12.637  127.731   10.538  222.565   10.508  216.748   8.9975 5.817307 13.83341 
1 1 1  -28   16   15 o  193.418   11.100  102.092   11.601  102.092   11.601   0.0000   0.0000  193.418   11.100  ?   ?       ?      ? 
1 1 1  -28   16   16 o  308.845   6.3692  259.813   10.560  256.670   15.810  262.345   14.190  307.030   9.5295  310.661   8.4530 -3.631104 12.73835 
1 1 1  -28   16   17 o  292.451   6.3437  231.853   9.8900  238.073   15.384  227.472   12.912  295.623   9.6303  289.280   8.2601 6.343262 12.68744 
1 1 1  -28   16   18 f  188.964   7.4048   98.558   7.4360   90.376   11.315  104.779   9.8657  181.783   11.519  196.145   9.3082 -14.36263 14.80953 
1 1 1  -28   16   19 o  106.838   11.132   30.986   6.3307   34.881   10.046   28.420   8.1534  112.171   16.574  101.504   14.865 10.66712 22.26331 
1 1 1  -28   16   20 o  171.840   10.747   73.968   8.3954   96.306   18.512   68.184   9.4198  185.753   18.443  157.926   11.038 27.82648 21.49392 
1 1 1  -28   16   21 o   72.199   19.516   11.451   10.113   11.921   17.828   11.227   12.281   76.041   29.802   68.357   25.208 7.683846 39.03297 
1 1 1  -28   16   22 o  237.550   10.366  160.448   12.807  135.225   20.064  177.793   16.638  220.499   16.839  254.601   12.094 -34.10158 20.73219 
1 1 1  -28   16   23 o   85.443   17.982   16.560   7.4482   32.793   17.239   12.834   8.2588  103.717   29.407   67.168   20.703 36.54858 35.96393 
1 1 1  -28   16   24 o  229.219   8.2602  143.562   9.9635  141.304   12.679  147.207   16.110  227.270   10.324  231.168   12.897 -3.898163 16.52040 
1 1 1  -28   16   25 o  174.486   9.6496   82.780   8.9085   77.573   11.347   91.149   14.384  167.777   12.515  181.197   14.691 -13.42006 19.29913 
1 1 1  -28   16   26 o   50.987   14.364   3.7688   6.2322  -2.5350   9.9187   7.8811   8.0111   45.493   20.198   56.481   20.430 -10.98875 28.72883 
1 1 1  -28   16   27 o  221.939   6.6180  134.535   7.8137  135.691   12.188  133.728   10.181  222.516   10.136  221.362   8.5116 1.154282 13.23605 
1 1 1  -28   16   28 o  155.467   8.5631   67.185   7.0126   64.328   11.101   69.082   9.0462  152.307   13.488  158.627   10.554 -6.319839 17.12617 
1 1 1  -28   16   29 o  184.101   7.5288   92.474   7.3794   97.079   11.580   89.325   9.5754  187.697   11.417  180.504   9.8171 7.193344 15.05755 
1 1 1  -28   16   30 o   95.118   12.906   24.756   6.3923   37.481   10.295   16.771   8.1550  115.207   16.536   75.029   19.819 40.17771 25.81151 
1 1 1  -28   16   31 o   73.305   14.323   16.913   6.2314   8.4484   10.087   22.138   7.9245   59.808   22.680   86.802   17.499 -26.99376 28.64579 
1 1 1  -28   16   32 o   95.941   13.035   28.320   6.3917   20.287   9.8963   34.068   8.3720   81.602   21.960  110.281   14.049 -28.67918 26.06931 
1 1 1  -28   16   33 o   56.928   14.898   7.5141   6.0045   11.043   9.5738   5.2258   7.7091   63.381   22.401   50.474   19.648 12.90714 29.79661 
1 1 1  -28   16   34 o   53.658   14.609   5.1719   6.0326   10.970   9.5854   1.3692   7.7627   62.990   22.398   44.327   18.763 18.66251 29.21879 
1 1 1  -28   16   35 o   48.701   14.137   3.5114   5.8416   2.7070   9.5121   3.9984   7.4018   49.880   20.923   47.522   19.016 2.357517 28.27329 
1 1 1  -28   16   36 o  152.974   8.2682   64.023   6.7043   71.194   10.778   59.498   8.5623  159.499   12.505  146.448   10.820 13.05161 16.53646 
1 1 1  -28   16   37 o  103.303   12.320   31.931   6.4732   28.837   10.258   33.979   8.3446   97.114   20.205  109.491   14.104 -12.37690 24.64046 
1 1 1  -28   16   38 o   71.434   15.048   15.709   6.1911   16.809   9.5096   14.899   8.1565   73.322   22.141   69.546   20.386 3.775902 30.09632 
1 1 1  -28   16   39 o   44.402   13.434   0.6905   5.9237  -4.4936   9.2438   4.3029   7.7164   40.658   18.628   48.147   19.363 -7.489040 26.86879 
1 1 1  -28   16   40 o   80.358   14.412   20.025   6.1244   21.335   10.017   19.242   7.7393   81.600   22.150   79.115   18.443 2.484650 28.82350 
1 1 1  -28   16   41 o   75.890   14.245   18.995   6.3862   9.6330   9.9695   25.509   8.3164   59.815   22.580   91.965   17.372 -32.14930 28.48899 
1 1 1  -28   16   42 f  233.013   8.7752  150.266   11.049   0.0000   0.0000  150.266   11.049  ?   ?   233.013   8.7752      ?      ? 
1 1 1  -28   16   43 o   48.655   14.617   2.8765   6.5979   3.3077   10.391   2.5852   8.5403   50.772   21.609   46.538   19.689 4.234520 29.23365 
1 1 1  -28   16   44 o  121.006   11.185   43.984   7.0827   38.422   10.974   47.955   9.2726  112.837   17.998  129.175   13.284 -16.33787 22.36963 
1 1 1  -28   16   45 o  125.264   10.663   45.160   7.0517   53.335   11.556   40.309   8.9012  133.282   16.045  117.245   14.050 16.03708 21.32692 
1 1 1  -28   16   46 o   69.101   16.879   13.428   8.5878   1.8690   11.451   28.288   12.983   49.813   21.928   88.389   25.666 -38.57530 33.75766 
1 1 1  -28   16   47 o   88.801   17.624   28.450   10.391   9.0203   15.350   44.887   14.118   62.097   26.341  115.506   23.421 -53.40887 35.24738 
1 1 1  -28   16   49 o   47.015   21.751  -0.5523   13.041   0.0000   0.0000  -0.5523   13.041  ?   ?    47.015   21.751      ?      ? 
1 1 1  -28   16   50 f   54.015   15.008   5.0702   7.1520   17.948   10.856  -4.8063   9.5069   69.200   23.893   38.830   18.167 30.36972 30.01594 
1 1 1  -28   16   51 o   50.743   15.230   6.5512   7.1933   7.8515   11.037   5.5910   9.4842   52.822   22.367   48.663   20.676 4.159046 30.45985 
1 1 1  -28   17    1 o  344.845   8.0959  324.584   15.084  317.117   21.223  332.207   21.443  340.814   11.524  348.876   11.374 -8.061249 16.19176 
1 1 1  -28   17    2 o   98.125   13.779   27.718   7.0440   25.721   10.058   29.640   9.8679   94.357   20.327  101.893   18.608 -7.535301 27.55791 
1 1 1  -28   17    3 o   86.952   14.380   21.880   7.0282   30.698   9.8028   12.552   10.082  105.382   17.215   68.522   23.038 36.85924 28.75949 
1 1 1  -28   17    4 o  140.136   9.9605   55.656   7.1896   47.140   11.559   61.030   9.1821  130.730   16.362  149.542   11.363 -18.81300 19.92092 
1 1 1  -28   17    5 o  140.705   8.7492   53.939   6.6372   56.977   9.7973   51.363   9.0233  144.328   12.562  137.083   12.181 7.244919 17.49846 
1 1 1  -28   17    6 o   40.965   12.989  -3.4941   5.9318  -3.3374   8.7692  -3.6263   8.0540   42.137   18.831   39.794   17.895 2.343071 25.97770 
1 1 1  -28   17    7 o  254.526   8.7723  176.113   12.065   0.0000   0.0000  176.113   12.065  ?   ?   254.526   8.7723      ?      ? 
1 1 1  -28   17    8 o  220.462   10.116  132.413   12.052  132.413   12.052   0.0000   0.0000  220.462   10.116  ?   ?       ?      ? 
1 1 1  -28   17    9 o  146.419   8.7863   58.430   6.9349   62.081   10.254   55.352   9.4144  150.592   12.601  142.247   12.248 8.344635 17.57263 
1 1 1  -28   17   10 o  149.284   8.5998   60.945   6.9130   61.276   10.224   60.666   9.3835  149.582   12.648  148.986   11.655 0.5953217 17.19970 
1 1 1  -28   17   11 o  113.517   11.020   36.302   6.5788   31.540   10.125   39.781   8.6548  106.618   17.574  120.415   13.301 -13.79735 22.04024 
1 1 1  -28   17   12 o  247.805   6.7914  165.886   9.0015  176.753   13.922  158.079   11.800  254.609   10.119  241.001   9.0609 13.60829 13.58272 
1 1 1  -28   17   13 o   84.919   14.209   20.808   6.3542   22.030   9.8356   19.933   8.3247   86.872   21.151   82.966   18.980 3.906136 28.41818 
1 1 1  -28   17   14 o  158.648   8.2992   68.864   7.0626   69.004   10.653   68.754   9.4337  158.670   12.425  158.626   11.006 0.4336548E-01 16.59834 
1 1 1  -28   17   15 o  156.302   8.3923   63.915   6.9265   83.190   11.318   52.372   8.7582  174.279   12.018  138.326   11.717 35.95320 16.78456 
1 1 1  -28   17   16 o  209.046   7.0548  119.097   7.8949  120.038   12.032  118.386   10.462  209.638   10.622  208.455   9.2878 1.182312 14.10957 
1 1 1  -28   17   17 o  184.101   7.6355   92.041   7.4910   96.124   11.707   89.209   9.7479  187.382   11.562  180.819   9.9764 6.562988 15.27094 
1 1 1  -28   17   18 o   95.065   13.128   26.323   6.4386   22.912   10.128   28.636   8.3408   88.365   21.432  101.766   15.168 -13.40137 26.25593 
1 1 1  -28   17   19 o   68.307   19.023   8.7257   9.7155   11.014   17.386   7.6869   11.715   74.326   29.335   62.287   24.228 12.03911 38.04678 
1 1 1  -28   17   20 o   96.635   19.344   28.042   10.327   27.770   17.114   28.198   12.950   96.122   29.831   97.147   24.633 -1.024940 38.68740 
1 1 1  -28   17   21 o   65.275   16.810   10.501   7.5939   10.052   9.8857   11.149   11.861   63.175   22.716   67.375   24.784 -4.200413 33.61959 
1 1 1  -28   17   22 o  126.790   10.213   45.649   6.8183   36.903   10.124   52.910   9.2239  114.960   16.297  138.621   12.314 -23.66114 20.42617 
1 1 1  -28   17   23 o  126.574   14.176   41.772   7.8242   54.707   17.455   38.519   8.7529  135.215   24.803  117.934   13.735 17.28100 28.35241 
1 1 1  -28   17   24 o  150.212   11.880   48.978   8.1395   94.752   18.814   38.438   9.0281  182.768   19.050  117.657   14.200 65.11116 23.76009 
1 1 1  -28   17   25 o   75.887   15.744   17.035   7.7951   26.330   10.218   4.0946   12.056   94.280   20.630   57.493   23.789 36.78765 31.48876 
1 1 1  -28   17   26 f   80.777   14.819   20.147   7.8193   31.235   9.9605   2.3401   12.623  105.167   17.527   56.387   23.901 48.77953 29.63873 
1 1 1  -28   17   27 o   43.338   13.229  -8.6981   6.1752   7.8306   10.157 -18.3914   7.7780   59.288   22.692   27.388   13.606 31.89974 26.45803 
1 1 1  -28   17   28 o   46.145   13.961   0.3296   6.3236  -4.7091   9.9974   3.6899   8.1643   43.195   19.630   49.095   19.856 -5.900204 27.92127 
1 1 1  -28   17   29 o  389.988   8.9323  416.856   18.824   0.0000   0.0000  416.856   18.824  ?   ?   389.988   8.9323      ?      ? 
1 1 1  -28   17   30 o  156.734   8.6189   69.053   7.1177   63.962   11.138   72.566   9.2538  151.263   13.627  162.205   10.558 -10.94246 17.23789 
1 1 1  -28   17   31 o  141.087   9.2195   57.174   6.8032   46.404   10.321   65.449   9.0468  128.304   14.887  153.871   10.881 -25.56700 18.43901 
1 1 1  -28   17   32 f   50.970   14.528   4.2206   6.0007   6.3356   9.7818   2.9444   7.5985   55.622   21.988   46.317   18.996 9.304893 29.05671 
1 1 1  -28   17   33 o  223.451   6.9631  137.684   8.3120  138.650   12.764  136.972   10.953  223.780   10.555  223.122   9.0843 0.6582336 13.92629 
1 1 1  -28   17   34 o   73.582   15.139   16.927   6.4917   12.847   10.140   19.761   8.4506   66.555   23.086   80.608   19.592 -14.05332 30.27897 
1 1 1  -28   17   35 o  113.172   11.705   38.368   6.6480   32.582   10.546   42.183   8.5640  103.846   19.510  122.498   12.938 -18.65200 23.40986 
1 1 1  -28   17   36 o  159.248   8.5144   70.982   7.1651   71.597   11.392   70.580   9.2165  159.216   13.241  159.281   10.708 -0.6521606E-01 17.02876 
1 1 1  -28   17   37 o  206.188   7.1357  116.760   7.8129  125.017   12.410  111.339   10.056  211.724   10.847  200.651   9.2744 11.07359 14.27144 
1 1 1  -28   17   38 o   87.672   14.134   24.429   6.4742   21.109   10.254   26.630   8.3485   81.083   22.573   94.262   17.016 -13.17904 28.26828 
1 1 1  -28   17   39 o  100.975   12.187   29.227   6.3948   36.011   10.420   25.129   8.0993  110.527   17.447   91.422   17.021 19.10594 24.37475 
1 1 1  -28   17   40 o  123.625   10.408   42.454   6.8231   52.821   11.011   35.991   8.6935  135.267   15.064  111.982   14.367 23.28520 20.81633 
1 1 1  -28   17   41 o   77.865   15.501   19.224   6.7385   23.202   10.503   16.441   8.7847   84.117   22.618   71.613   21.203 12.50442 31.00176 
1 1 1  -28   17   42 o   75.851   15.676   18.404   6.6878   21.165   10.818   16.696   8.5086   79.614   23.517   72.089   20.733 7.524994 31.35138 
1 1 1  -28   17   43 o   51.982   14.499   4.7201   6.7713  -5.5992   10.448   12.193   8.8912   41.610   19.327   62.354   21.618 -20.74375 28.99804 
1 1 1  -28   17   44 o   63.185   16.186   12.594   7.0172   16.010   11.075   10.303   9.0702   68.271   24.097   58.099   21.616 10.17135 32.37159 
1 1 1  -28   17   45 o   64.800   18.320   12.648   9.6014   13.755   14.929   11.867   12.538   66.617   26.883   62.983   24.895 3.633274 36.63923 
1 1 1  -28   17   46 o  177.693   12.757   88.847   11.715  136.284   19.849   63.491   14.512  211.997   17.327  143.388   18.729 68.60902 25.51468 
1 1 1  -28   17   48 o   86.619   20.537   35.411   11.403   34.144   18.454   36.194   14.502   81.450   30.727   91.788   27.257 -10.33835 41.07456 
1 1 1  -28   17   49 o   78.657   15.979   23.485   7.3798   17.760   12.062   26.911   9.3299   68.282   25.012   89.032   19.894 -20.75002 31.95872 
1 1 1  -28   17   50 o   55.927   15.746   10.823   7.0613   10.755   11.308   10.867   9.0409   56.120   23.113   55.733   21.390 0.3872032 31.49188 
1 1 1  -28   18    1 o   48.002   14.146   1.7210   6.0962   2.8196   8.7885   0.7021   8.4634   49.884   20.440   46.120   19.561 3.764133 28.29208 
1 1 1  -28   18    2 o   96.572   12.807   26.692   6.4747   24.096   9.6395   28.826   8.7397   91.052   20.127  102.091   15.842 -11.03907 25.61416 
1 1 1  -28   18    3 o   41.406   12.803  -5.6990   6.1450 -16.9371   9.0165   4.0485   8.3972   31.912   15.617   50.900   20.292 -18.98805 25.60614 
1 1 1  -28   18    4 o  379.744   9.0534  392.626   18.578   0.0000   0.0000  392.626   18.578  ?   ?   379.744   9.0534      ?      ? 
1 1 1  -28   18    5 o   85.502   14.156   21.421   6.4358   18.821   9.3971   23.718   8.8324   80.327   21.302   90.678   18.648 -10.35030 28.31117 
1 1 1  -28   18    6 o  113.954   11.042   36.323   6.7125   31.273   9.7865   40.810   9.2242  106.133   17.064  121.774   14.018 -15.64069 22.08372 
1 1 1  -28   18    7 o  103.350   12.333   30.018   6.6960   30.852   10.102   29.365   8.9431  103.703   18.715  102.996   16.069 0.7064972 24.66681 
1 1 1  -28   18    8 o  197.093   11.130  106.198   11.853  106.198   11.853   0.0000   0.0000  197.093   11.130  ?   ?       ?      ? 
1 1 1  -28   18    9 o  216.752   7.0498  128.891   8.1979  120.497   12.092  136.031   11.152  210.037   10.654  223.466   9.2355 -13.42865 14.09966 
1 1 1  -28   18   10 o  188.018   7.5706   97.291   7.6227   89.859   11.286  103.525   10.337  181.201   11.526  194.834   9.8182 -13.63327 15.14114 
1 1 1  -28   18   11 o   54.958   14.410   5.1425   6.2913  -2.7068   9.1492   12.183   8.6650   43.690   19.398   66.227   21.315 -22.53707 28.82035 
1 1 1  -28   18   12 o   69.748   15.367   13.824   6.4466   11.974   9.5390   15.379   8.7461   66.559   22.409   72.936   21.033 -6.377609 30.73372 
1 1 1  -28   18   13 o   89.163   13.759   22.772   6.4075   26.244   9.7643   20.146   8.4916   95.105   19.650   83.221   19.264 11.88322 27.51741 
1 1 1  -28   18   14 o   47.312   14.143   0.9800   6.2452  -1.0014   9.3405   2.5818   8.3985   46.076   20.055   48.549   19.948 -2.472294 28.28590 
1 1 1  -28   18   15 o  295.328   6.4063  238.915   10.150  225.993   15.041  249.718   13.752  287.780   9.6725  302.876   8.4028 -15.09653 12.81267 
1 1 1  -28   18   16 o   67.385   13.447   12.125   6.3895  -3.0249   9.7984   23.333   8.4280   44.900   19.997   89.871   17.983 -44.97081 26.89333 
1 1 1  -28   18   17 o  132.085   15.877   50.984   8.3418   50.068   19.715   51.184   9.2066  127.766   29.194  136.404   12.491 -8.637878 31.75411 
1 1 1  -28   18   18 o  120.757   18.598   42.891   11.070   47.320   20.039   40.946   13.281  123.322   30.290  118.192   21.590 5.130768 37.19700 
1 1 1  -28   18   19 o   98.770   19.165   24.793   10.845   49.595   18.709   12.241   13.310  127.142   27.990   70.397   26.187 56.74438 38.32998 
1 1 1  -28   18   20 o  171.539   8.4021   80.688   7.7165   83.360   11.816   78.700   10.189  173.812   12.581  169.266   11.140 4.546570 16.80422 
1 1 1  -28   18   21 o  117.537   10.426   36.983   6.4935   48.222   10.386   29.770   8.3203  131.675   14.596  103.398   14.892 28.27654 20.85198 
1 1 1  -28   18   22 o  142.964   9.1584   55.899   7.0317   62.586   10.689   50.798   9.3361  150.363   13.156  135.565   12.745 14.79814 18.31676 
1 1 1  -28   18   23 o   51.996   14.204   4.4084   6.1997  -4.2840   9.9478   9.9287   7.9275   43.676   19.741   60.316   20.428 -16.64019 28.40845 
1 1 1  -28   18   24 f  184.622   11.106   93.141   9.1045   99.955   19.820   91.319   10.250  186.905   19.625  182.339   10.403 4.565445 22.21139 
1 1 1  -28   18   25 o  100.814   17.082   22.207   7.5072   50.360   18.476   16.640   8.2160  126.877   27.723   74.751   19.963 52.12669 34.16316 
1 1 1  -28   18   26 o  261.335   8.0830  186.484   11.163  178.328   14.231  199.527   17.997  254.528   10.347  268.142   12.421 -13.61449 16.16592 
1 1 1  -28   18   27 o   69.994   16.569   14.337   7.8304   19.437   9.8940   5.7883   12.810   79.926   22.145   60.062   24.652 19.86454 33.13789 
1 1 1  -28   18   28 o  125.495   10.273   44.026   6.8690   45.576   10.712   42.943   8.9518  126.990   15.610  124.000   13.360 2.989540 20.54680 
1 1 1  -28   18   29 o  261.203   6.6118  185.970   9.2602  199.892   14.179  175.615   12.229  269.467   9.7374  252.940   8.9469 16.52716 13.22357 
1 1 1  -28   18   30 f  110.705   12.148   36.550   6.8413   30.451   10.464   41.103   9.0413  100.532   19.966  120.878   13.842 -20.34624 24.29516 
1 1 1  -28   18   31 o  162.149   8.4076   71.736   7.2296   81.195   11.632   65.782   9.2286  170.355   12.636  153.943   11.094 16.41194 16.81517 
1 1 1  -28   18   32 o  209.245   7.1103  119.158   7.9203  131.601   12.537  110.894   10.217  217.912   10.647  200.579   9.4268 17.33315 14.22061 
1 1 1  -28   18   33 o   65.193   15.064   11.187   6.3870   19.584   9.9306   5.2630   8.3412   79.170   22.275   51.215   20.286 27.95457 30.12776 
1 1 1  -28   18   34 o  113.743   11.050   37.244   6.6896   36.528   10.310   37.766   8.7916  112.174   17.009  115.312   14.109 -3.137619 22.09901 
1 1 1  -28   18   35 o  191.446   7.7505  102.795   7.9038   98.688   12.094  105.856   10.442  187.530   11.935  195.361   9.8915 -7.831802 15.50108 
1 1 1  -28   18   36 o  255.009   6.8225  180.449   9.2945  180.102   14.236  180.708   12.271  254.286   10.360  255.732   8.8797 -1.446289 13.64490 
1 1 1  -28   18   37 o  182.361   7.8580   91.868   7.5274   98.727   12.342   87.805   9.4986  187.031   12.212  177.691   9.8925 9.340347 15.71594 
1 1 1  -28   18   38 o  116.375   12.590   43.691   6.9953   29.029   11.162   53.175   8.9771   95.422   22.084  137.328   12.097 -41.90588 25.18031 
1 1 1  -28   18   39 o  153.723   9.1446   67.908   7.3837   64.323   11.705   70.278   9.5158  149.302   14.508  158.143   11.135 -8.841324 18.28913 
1 1 1  -28   18   40 o  135.057   9.7701   49.478   6.9158   67.980   11.560   39.166   8.6306  153.485   13.939  116.630   13.694 36.85522 19.54020 
1 1 1  -28   18   41 o   92.448   14.329   28.182   6.8860   22.308   11.374   31.581   8.6518   81.147   24.148  103.749   15.432 -22.60210 28.65841 
1 1 1  -28   18   42 o  141.481   10.366   60.483   7.4846   53.539   12.316   64.550   9.4246  132.655   17.181  150.307   11.604 -17.65186 20.73274 
1 1 1  -28   18   43 o   45.886   14.389 -12.9718   8.2286 -32.5427   10.973   12.176   12.438   28.799   14.556   62.972   24.826 -34.17310 28.77838 
1 1 1  -28   18   44 o   53.651   16.673   0.6467   9.7577  10.0000   13.832  -8.6194   13.767   61.810   25.521   45.491   21.464 16.31897 33.34699 
1 1 1  -28   18   45 o  118.830   16.721   46.761   10.494   62.432   15.950   34.797   13.936  139.236   21.199   98.424   25.865 40.81235 33.44219 
1 1 1  -28   18   46 o  115.077   24.769   49.842   14.946   0.0000   0.0000   49.842   14.946  ?   ?   115.077   24.769      ?      ? 
1 1 1  -28   18   47 o   90.956   19.467   37.016   10.937   28.806   18.572   41.374   13.532   77.178   30.364  104.735   24.369 -27.55638 38.93372 
1 1 1  -28   18   48 o   89.514   15.655   26.515   7.7916   45.394   12.798   15.398   9.8214  114.068   21.554   64.961   22.710 49.10683 31.30969 
1 1 1  -28   18   49 o   53.738   15.804   9.0996   7.4158   11.841   11.897   7.3577   9.4836   57.154   23.639   50.322   20.983 6.832035 31.60871 
1 1 1  -28   19    1 o  170.848   8.2476   79.803   7.5979   87.504   11.026   72.839   10.485  178.729   11.417  162.967   11.906 15.76112 16.49519 
1 1 1  -28   19    2 o   89.678   13.398   22.661   6.6674   38.100   9.9274   9.9746   8.9990  117.235   15.671   62.122   21.737 55.11334 26.79695 
1 1 1  -28   19    3 o  140.990   9.2563   54.328   7.0270   60.932   10.391   48.763   9.5385  148.867   12.918  133.113   13.261 15.75388 18.51266 
1 1 1  -28   19    4 o  210.814   7.1459  121.746   8.1134  114.872   11.734  128.044   11.231  204.983   10.593  216.645   9.5937 -11.66144 14.29175 
1 1 1  -28   19    5 o   68.280   15.424   13.081   6.4212   13.552   9.2868   12.650   8.8882   69.322   22.041   67.239   21.582 2.083046 30.84804 
1 1 1  -28   19    6 o   52.840   14.894   4.5213   6.3837   4.1631   9.4485   4.8222   8.6589   53.131   21.405   52.550   20.714 0.5812645 29.78712 
1 1 1  -28   19    7 o  176.465   8.1408   84.859   7.7149   89.474   11.690   81.299   10.268  180.589   11.980  172.341   11.026 8.247879 16.28154 
1 1 1  -28   19    8 o  165.908   8.5541   77.033   7.4992   60.696   10.851   91.971   10.376  148.409   13.531  183.407   10.469 -34.99823 17.10818 
1 1 1  -28   19    9 o  210.517   7.3114  120.931   8.2734  123.331   12.403  119.007   11.105  212.280   10.812  208.754   9.8447 3.526047 14.62276 
1 1 1  -28   19   10 o  172.268   10.805   81.240   10.058   0.0000   0.0000   81.240   10.058  ?   ?   172.268   10.805      ?      ? 
1 1 1  -28   19   11 o  211.718   10.771  122.744   12.323  122.744   12.323   0.0000   0.0000  211.718   10.771  ?   ?       ?      ? 
1 1 1  -28   19   12 o  169.232   10.679   78.442   9.7656   0.0000   0.0000   78.442   9.7656  ?   ?   169.232   10.679      ?      ? 
1 1 1  -28   19   13 o   54.401   15.026   5.6444   6.4064   3.8392   9.7406   7.0206   8.5046   53.029   21.600   55.774   20.896 -2.745251 30.05296 
1 1 1  -28   19   14 o   81.646   14.686   18.576   6.5624   27.535   10.382   12.616   8.4686   96.735   20.499   66.557   21.036 30.17801 29.37149 
1 1 1  -28   19   15 o   38.811   12.520  -7.7321   6.3539 -20.0895   10.073   0.4342   8.1885   32.881   16.175   44.741   19.116 -11.86058 25.04094 
1 1 1  -28   19   16 o   58.548   18.167  -0.5206   10.492  -1.6282   18.272   0.0243   12.816   62.622   27.627   54.473   23.600 8.148670 36.33456 
1 1 1  -28   19   17 o   66.689   19.701   5.8111   11.184   5.7523   20.008   5.8378   13.488   71.317   30.152   62.060   25.364 9.257877 39.40126 
1 1 1  -28   19   18 o  196.179   12.514  109.076   12.799  106.532   20.874  110.608   16.201  193.189   19.996  199.170   15.054 -5.981186 25.02879 
1 1 1  -28   19   19 o   78.031   15.276   17.722   6.5873   20.903   10.319   15.534   8.5581   83.493   22.405   72.569   20.770 10.92342 30.55116 
1 1 1  -28   19   20 o   59.236   14.635   7.9469   6.5326  -1.6284   9.8684   15.416   8.7157   46.202   20.347   72.269   21.041 -26.06743 29.27018 
1 1 1  -28   19   21 o  144.038   8.9446   57.352   6.9433   58.791   10.249   56.132   9.4397  145.598   13.027  142.478   12.261 3.120331 17.88913 
1 1 1  -28   19   22 o  168.685   8.0846   77.445   7.3038   86.813   11.285   70.692   9.5814  177.230   11.783  160.141   11.072 17.08890 16.16914 
1 1 1  -28   19   23 o  214.819   7.1595  127.177   8.2225  125.153   12.516  128.714   10.907  213.021   10.873  216.617   9.3177 -3.595688 14.31909 
1 1 1  -28   19   24 o  124.681   10.918   42.639   7.2193   50.211   11.654   37.924   9.1964  133.153   16.197  116.209   14.645 16.94383 21.83620 
1 1 1  -28   19   25 o   74.035   18.072   16.316   7.9721   7.9527   19.196   18.059   8.7637   70.728   29.698   77.342   20.600 -6.614029 36.14358 
1 1 1  -28   19   26 o  141.867   15.222   60.865   8.7377   57.973   19.685   61.575   9.7510  134.886   27.927  148.848   12.123 -13.96213 30.44485 
1 1 1  -28   19   27 o  104.562   14.647   31.282   8.0592   20.552   10.442   47.095   12.675   81.516   22.808  127.606   18.382 -46.08997 29.29350 
1 1 1  -28   19   28 o   74.420   17.078   17.137   7.9867   20.063   10.331   12.791   12.591   80.375   22.757   68.465   25.470 11.90921 34.15504 
1 1 1  -28   19   29 o   41.287   13.148  -6.1515   6.3929   2.6658   9.7164 -12.8821   8.4891   50.224   21.111   32.351   15.678 17.87294 26.29599 
1 1 1  -28   19   30 o  185.524   7.7419   93.302   7.6368  108.302   12.201   83.639   9.7923  197.262   11.446  173.785   10.428 23.47705 15.48380 
1 1 1  -28   19   31 o  147.851   9.1147   61.836   7.0789   59.736   11.300   63.193   9.0817  145.047   14.418  150.656   11.156 -5.609161 18.22947 
1 1 1  -28   19   32 o   58.993   15.536   8.7969   6.5244   11.659   10.373   6.9231   8.3924   64.112   23.239   53.874   20.625 10.23783 31.07156 
1 1 1  -28   19   33 o  107.891   12.424   35.871   6.7382   27.128   10.252   42.519   8.9405   93.344   20.852  122.438   13.513 -29.09432 24.84749 
1 1 1  -28   19   34 f   46.952   14.259   1.1887   6.6134  -3.3417   10.403   4.2616   8.5675   44.333   20.099   49.571   20.232 -5.238808 28.51864 
1 1 1  -28   19   35 o  191.521   7.9801  104.542   8.0098   94.972   12.619  110.998   10.366  183.086   12.755  199.956   9.5933 -16.87012 15.96025 
1 1 1  -28   19   36 o   39.973   13.066  -5.0016   6.3001  -4.2378   10.656  -5.4120   7.8114   43.978   20.094   35.969   16.708 8.008732 26.13293 
1 1 1  -28   19   37 o   44.817   13.688  -0.9912   6.6123 -11.1663   10.430   5.8465   8.5501   37.938   18.123   51.696   20.518 -13.75793 27.37628 
1 1 1  -28   19   38 o  100.950   13.019   30.564   6.7219   36.128   10.803   27.048   8.5867  107.846   19.243   94.054   17.540 13.79224 26.03769 
1 1 1  -28   19   39 o   81.677   14.992   22.169   6.7672   17.426   10.416   25.633   8.9019   72.697   23.367   90.657   18.789 -17.96017 29.98393 
1 1 1  -28   19   40 o   37.637   12.574  -9.2576   6.4806  -1.6210   10.458 -14.0184   8.2572   44.978   20.294   30.296   14.851 14.68167 25.14739 
1 1 1  -28   19   41 o  141.233   10.077   58.422   7.5531   60.975   11.926   56.711   9.7599  142.745   15.461  139.721   12.927 3.024063 20.15339 
1 1 1  -28   19   42 o   57.633   17.252   6.6033   9.1974   10.230   14.129   3.9369   12.116   62.137   25.736   53.129   22.982 9.007973 34.50363 
1 1 1  -28   19   43 o  113.804   15.843   44.778   9.9617   17.809   13.904   73.221   14.279   71.874   26.759  155.733   16.968 -83.85846 31.68559 
1 1 1  -28   19   44 o   45.533   21.594  -8.3086   14.273   0.0000   0.0000  -8.3086   14.273  ?   ?    45.533   21.594      ?      ? 
1 1 1  -28   19   45 o   42.724   14.824 -14.8962   11.038 -12.5360   18.451 -16.2117   13.775   46.539   22.681   38.909   19.095 7.629841 29.64882 
1 1 1  -28   19   46 o   62.094   18.776   12.404   11.420   5.6802   18.789   16.342   14.381   58.271   26.647   65.916   26.460 -7.645035 37.55224 
1 1 1  -28   19   47 o   86.027   16.154   28.320   7.5851   26.602   12.351   29.360   9.6111   80.331   25.405   91.723   19.959 -11.39214 32.30726 
1 1 1  -28   20    1 f  103.994   11.827   31.093   6.3879   36.053   8.8855   25.788   9.1899  113.945   14.431   94.043   18.742 19.90178 23.65418 
1 1 1  -28   20    2 o   98.492   12.408   27.771   6.4404   29.569   8.9639   25.852   9.2594  102.854   16.128   94.130   18.861 8.723526 24.81659 
1 1 1  -28   20    3 o  165.374   8.4136   75.296   7.5160   74.436   10.731   76.123   10.530  164.402   12.079  166.348   11.715 -1.945984 16.82716 
1 1 1  -28   20    4 o   98.999   18.574   28.473   9.5713   0.0000   0.0000   28.473   9.5713  ?   ?    98.999   18.574      ?      ? 
1 1 1  -28   20    6 o   82.441   13.953   20.061   6.5953   10.666   9.5123   28.759   9.1524   63.581   22.343  101.300   16.720 -37.71829 27.90633 
1 1 1  -28   20    7 o  296.680   8.8269  240.300   14.151   0.0000   0.0000  240.300   14.151  ?   ?   296.680   8.8269      ?      ? 
1 1 1  -28   20    8 o   60.446   14.407   8.4976   6.4274  -1.6661   9.6260   16.675   8.6342   45.716   20.115   75.175   20.630 -29.45972 28.81380 
1 1 1  -28   20    9 o   60.541   15.512   9.1616   6.4810   9.1417   9.9926   9.1760   8.5147   61.470   22.725   59.613   21.119 1.857094 31.02317 
1 1 1  -28   20   10 o  129.591   10.175   46.816   7.0424   45.599   10.725   47.739   9.3375  127.810   15.529  131.371   13.154 -3.560951 20.35079 
1 1 1  -28   20   11 o   44.053   13.657  -2.1483   6.2846   1.8941   9.3592  -5.4677   8.4810   49.396   20.739   38.710   17.775 10.68625 27.31415 
1 1 1  -28   20   12 o  175.355   8.0611   84.351   7.5612   86.322   11.598   82.894   9.9714  176.922   12.132  173.787   10.618 3.135361 16.12220 
1 1 1  -28   20   13 o   68.638   15.753   13.474   6.7059   11.999   9.8588   14.744   9.1481   66.207   22.775   71.070   21.770 -4.863358 31.50629 
1 1 1  -28   20   14 o  173.861   13.031   85.624   9.6477   85.676   21.747   85.611   10.765  171.342   23.488  176.380   11.295 -5.037888 26.06300 
1 1 1  -28   20   15 o   66.537   18.246   5.6198   11.520 -34.6396   22.557   19.827   13.400   51.404   25.058   81.669   26.528 -30.26461 36.49117 
1 1 1  -28   20   16 o  104.130   20.447   28.144   12.041   56.464   21.330   14.899   14.588  133.448   30.275   74.811   27.491 58.63680 40.89396 
1 1 1  -28   20   17 o   65.288   15.532   11.725   6.6480   7.7751   9.5301   15.468   9.2784   58.236   22.054   72.341   21.875 -14.10553 31.06306 
1 1 1  -28   20   18 o  221.051   7.2252  132.182   8.5503  150.293   13.241  119.230   11.198  233.733   10.484  208.369   9.9452 25.36374 14.45050 
1 1 1  -28   20   19 o  148.722   9.0041   61.107   7.2160   66.828   10.676   56.294   9.7915  155.095   12.738  142.350   12.729 12.74432 18.00821 
1 1 1  -28   20   20 o   79.905   14.830   19.565   6.5416   15.992   9.8364   22.399   8.7594   73.115   22.604   86.695   19.204 -13.57964 29.66010 
1 1 1  -28   20   21 o   46.793   14.206   0.3047   6.5696  -3.8523   10.012   3.4483   8.7062   43.902   19.828   49.684   20.350 -5.781490 28.41221 
1 1 1  -28   20   22 o  104.410   12.586   31.463   6.8603   32.615   10.593   30.631   9.0033  104.839   19.414  103.980   16.024 0.8587265 25.17292 
1 1 1  -28   20   23 o  111.767   12.333   36.729   7.1120   32.479   10.746   40.042   9.4870  104.311   19.788  119.224   14.726 -14.91302 24.66645 
1 1 1  -28   20   24 o  223.843   9.3713  137.862   11.335   0.0000   0.0000  137.862   11.335  ?   ?   223.843   9.3713      ?      ? 
1 1 1  -28   20   25 f   89.686   14.638   24.781   6.9016   22.924   10.621   26.138   9.0796   85.859   22.588   93.512   18.623 -7.653503 29.27542 
1 1 1  -28   20   26 o   58.617   17.744   3.1556   7.8904   9.0541   18.730   1.8829   8.7001   70.141   29.388   47.093   19.895 23.04797 35.48880 
1 1 1  -28   20   27 o  101.486   17.732   28.889   7.8976   40.045   18.843   26.511   8.6984  108.466   30.742   94.507   17.683 13.95871 35.46495 
1 1 1  -28   20   28 f   68.755   16.312   13.229   8.2753   22.655   10.730  -0.6063   13.000   84.874   22.877   52.637   23.258 32.23639 32.62390 
1 1 1  -28   20   29 o  114.799   14.290   41.640   8.2289   48.790   10.718   31.374   12.843  130.634   15.183   98.963   24.215 31.67052 28.58097 
1 1 1  -28   20   30 o  131.070   10.448   48.369   7.2873   53.271   11.540   45.118   9.3983  136.051   15.697  126.090   13.794 9.961014 20.89629 
1 1 1  -28   20   31 o   56.993   15.455   7.2122   6.7431   12.321   10.333   3.4230   8.8992   64.904   23.236   49.082   20.385 15.82190 30.91031 
1 1 1  -28   20   32 o  119.647   11.107   41.085   6.9972   43.216   11.327   39.770   8.8979  121.284   17.284  118.011   13.953 3.272652 22.21308 
1 1 1  -28   20   33 o   97.843   13.970   28.522   7.0116   36.039   11.322   23.844   8.9301  107.915   20.157   87.772   19.349 20.14264 27.94082 
1 1 1  -28   20   34 o  131.604   10.543   47.184   7.2905   64.706   12.025   36.999   9.1676  149.910   14.844  113.298   14.974 36.61237 21.08520 
1 1 1  -28   20   35 o   71.856   15.956   15.845   6.8825   21.331   10.812   12.108   8.9239   80.607   23.426   63.104   21.671 17.50346 31.91265 
1 1 1  -28   20   36 f   54.923   14.633   4.0795   6.5878   16.655   10.322  -4.5624   8.5570   71.411   23.288   38.434   17.724 32.97729 29.26538 
1 1 1  -28   20   37 o   85.497   15.300   23.140   7.0772   29.802   10.923   18.320   9.2911   96.006   21.580   74.989   21.694 21.01736 30.59943 
1 1 1  -28   20   38 f   53.558   14.913   6.5200   6.7825  -0.8077   10.635   11.543   8.8055   46.191   20.683   60.926   21.489 -14.73510 29.82543 
1 1 1  -28   20   39 o   88.101   15.453   26.774   7.3695   22.523   11.209   30.011   9.7808   79.766   24.026   96.435   19.441 -16.66883 30.90626 
1 1 1  -28   20   40 o   46.673   15.334  -5.1789   9.2961  -4.5383   13.569  -5.7455   12.762   47.790   22.137   45.555   21.226 2.235359 30.66872 
1 1 1  -28   20   41 o   95.197   19.072   32.979   10.355   38.356   14.861   27.905   14.436  103.479   26.471   86.915   27.464 16.56328 38.14431 
1 1 1  -28   20   42 o  109.219   17.297   41.616   10.042   52.748   14.762   32.027   13.701  125.133   22.666   93.305   26.133 31.82824 34.59369 
1 1 1  -28   20   43 o  121.432   16.851   47.187   11.057   0.0000   0.0000   47.187   11.057  ?   ?   121.432   16.851      ?      ? 
1 1 1  -28   20   44 o   71.632   20.133   20.950   11.154   28.581   19.170   17.045   13.714   77.073   30.681   66.190   26.076 10.88334 40.26557 
1 1 1  -28   20   45 o   47.847   15.912  -5.0468   10.901 -21.5608   19.098   2.9347   13.277   44.732   22.057   50.962   22.941 -6.229458 31.82470 
1 1 1  -28   20   46 o   81.258   13.289   26.003   7.5070   2.7341   11.692   42.325   9.7921   47.397   21.414  115.120   15.741 -67.72310 26.57757 
1 1 1  -28   21    1 f   83.597   13.057   19.475   6.8520   38.569   9.9378   2.1718   9.4603  117.334   15.674   49.860   20.888 67.47437 26.11460 
1 1 1  -28   21    2 o  171.954   11.542   81.479   10.725   0.0000   0.0000   81.479   10.725  ?   ?   171.954   11.542      ?      ? 
1 1 1  -28   21    3 o   88.935   14.137   23.463   6.6213   23.988   9.1101   22.876   9.6404   90.228   19.271   87.642   20.688 2.585648 28.27306 
1 1 1  -28   21    4 o  134.072   10.017   50.213   7.2267   46.742   10.446   53.399   10.008  129.393   14.941  138.752   13.348 -9.358780 20.03469 
1 1 1  -28   21    5 o  146.552   9.1324   58.778   7.1427   73.227   10.689   47.122   9.6009  162.840   12.148  130.263   13.640 32.57721 18.26480 
1 1 1  -28   21    6 o  127.515   10.529   45.136   7.1709   55.285   10.558   36.444   9.7702  141.025   13.855  114.005   15.860 27.01984 21.05882 
1 1 1  -28   21    7 o   57.705   15.460   7.4508   6.6743   5.4555   9.6089   9.3110   9.2777   54.799   21.751   60.611   21.976 -5.811668 30.92044 
1 1 1  -28   21    8 o  131.271   10.267   47.848   7.2640   52.730   10.653   43.606   9.9311  137.554   14.332  124.988   14.704 12.56600 20.53307 
1 1 1  -28   21    9 o   73.128   15.704   15.842   6.7699   14.379   9.9282   17.113   9.2554   70.487   22.830   75.769   21.570 -5.281815 31.40781 
1 1 1  -28   21   10 o   95.523   13.416   26.236   6.7783   33.533   10.059   20.167   9.1741  108.920   17.090   82.126   20.684 26.79386 26.83118 
1 1 1  -28   21   11 o   97.238   13.568   27.484   6.8405   31.742   10.386   24.223   9.0906  103.949   19.197   90.526   19.180 13.42336 27.13695 
1 1 1  -28   21   12 o   65.549   18.788   8.8039   8.2797   1.2322   22.467   9.9938   8.9066   69.886   30.741   61.212   21.609 8.674320 37.57645 
1 1 1  -28   21   13 o  238.096   12.610  161.415   15.124  161.644   26.611  161.306   18.381  235.945   20.872  240.248   14.159 -4.302643 25.22094 
1 1 1  -28   21   14 o   73.574   20.730   7.3893   12.013   25.360   21.378  -0.9045   14.523   91.082   33.309   56.066   24.688 35.01600 41.46041 
1 1 1  -28   21   15 o   77.616   17.090   14.705   8.1448   6.5879   10.034   30.383   13.946   56.816   22.330   98.417   25.879 -41.60152 34.18074 
1 1 1  -28   21   16 o  116.935   11.103   38.158   6.9460   41.931   10.772   35.472   9.0877  121.593   16.394  112.277   14.979 9.316063 22.20667 
1 1 1  -28   21   17 o  108.386   12.606   33.311   7.0666   44.648   10.802   24.828   9.3433  125.613   15.914   91.159   19.554 34.45461 25.21112 
1 1 1  -28   21   18 o  147.482   9.1796   61.204   7.2385   55.331   10.683   66.189   9.8423  140.480   14.073  154.485   11.790 -14.00502 18.35913 
1 1 1  -28   21   19 o   72.537   15.853   15.893   6.8293   14.863   10.413   16.671   9.0470   70.884   23.402   74.190   21.391 -3.305824 31.70546 
1 1 1  -28   21   20 o   55.731   15.128   6.9770   6.4716   4.4299   9.5906   9.1064   8.7690   52.578   21.426   58.883   21.363 -6.305538 30.25678 
1 1 1  -28   21   21 o  119.461   11.212   39.919   7.1380   50.452   10.844   31.867   9.4819  133.428   15.040  105.495   16.633 27.93285 22.42471 
1 1 1  -28   21   22 o   65.026   15.084   9.9058   6.7443   21.457   10.418   1.5730   8.8487   83.042   22.609   47.010   19.973 36.03209 30.16731 
1 1 1  -28   21   23 o   90.909   14.744   25.092   7.0571   27.613   10.634   23.107   9.4340   94.844   21.273   86.974   20.422 7.869720 29.48890 
1 1 1  -28   21   24 o   87.336   15.064   23.546   6.9957   23.296   10.718   23.731   9.2336   86.328   22.682   88.343   19.829 -2.014427 30.12711 
1 1 1  -28   21   25 o   89.797   14.905   24.465   7.0379   28.131   10.948   21.883   9.1880   95.211   21.755   84.383   20.380 10.82791 29.80989 
1 1 1  -28   21   26 o   82.786   14.840   22.088   6.6862   16.736   10.768   25.446   8.5299   73.366   23.777   92.206   17.764 -18.83969 29.67977 
1 1 1  -28   21   27 o   87.720   17.067   28.776   8.5657   4.0428   21.894   33.247   9.3077   68.083   30.128  107.357   16.044 -39.27402 34.13407 
1 1 1  -28   21   28 o   53.674   17.407  -1.4935   8.4276  -0.9489   21.523  -1.5922   9.1589   63.903   28.947   43.444   19.342 20.45910 34.81454 
1 1 1  -28   21   29 o   79.427   18.006   20.638   8.6657   21.013   11.117   20.056   13.834   80.509   23.855   78.344   26.977 2.165901 36.01173 
1 1 1  -28   21   30 o   80.880   17.212   20.167   8.2130   13.947   10.601   29.504   12.989   67.486   23.594   94.273   25.065 -26.78734 34.42322 
1 1 1  -28   21   31 o  135.696   10.353   52.796   7.4643   53.631   11.680   52.219   9.7049  135.866   15.909  135.526   13.252 0.3395081 20.70501 
1 1 1  -28   21   32 o   45.579   14.301  -1.2718   6.9639   1.4691   10.637  -3.3281   9.2130   49.620   21.498   41.538   18.864 8.082352 28.60136 
1 1 1  -28   21   33 o  118.207   12.068   40.621   7.6222   46.653   11.919   36.447   9.9144  125.151   17.625  111.264   16.490 13.88685 24.13620 
1 1 1  -28   21   34 o   59.783   15.802   7.8427   6.9950   17.821   11.525   2.0228   8.8016   73.272   24.632   46.294   19.800 26.97811 31.60304 
1 1 1  -28   21   35 o   56.802   14.749   7.4862   6.8960  -3.9736   10.606   15.880   9.0767   43.560   19.956   70.044   21.723 -26.48373 29.49824 
1 1 1  -28   21   36 o   52.142   13.895   4.1744   6.5936 -10.2628   10.177   14.618   8.6559   37.394   17.874   66.890   21.280 -29.49628 27.79095 
1 1 1  -28   21   37 o   76.361   21.853   19.847   9.4742   0.0000   0.0000   19.847   9.4742  ?   ?    76.361   21.853      ?      ? 
1 1 1  -28   21   38 o   48.681   15.900  -4.1749   9.7872  -6.8288   13.449  -1.1872   14.270   45.969   21.540   51.393   23.393 -5.424492 31.79912 
1 1 1  -28   21   39 o   98.271   18.744   34.775   10.179   35.180   14.598   34.392   14.201   98.625   26.726   97.917   26.287 0.7074051 37.48713 
1 1 1  -28   21   40 o   77.797   19.674   22.710   10.506   20.633   14.879   24.775   14.836   74.841   27.717   80.752   27.930 -5.910461 39.34874 
1 1 1  -28   21   41 o  115.138   15.006   44.583   8.4917   50.180   15.147   42.018   10.255  114.852   25.107  115.424   16.441 -0.5720596 30.01144 
1 1 1  -28   21   42 o   53.654   16.782   0.6885   11.555 -34.4595   20.548   16.944   13.974   42.047   21.074   65.262   26.123 -23.21511 33.56432 
1 1 1  -28   21   43 o  117.192   20.649   53.878   12.413   67.995   21.839   47.140   15.087  122.970   32.409  111.413   25.598 11.55762 41.29875 
1 1 1  -28   21   44 f   65.346   18.097   17.641   9.1998   15.296   12.091   20.865   14.178   62.138   24.483   68.553   26.656 -6.415043 36.19363 
1 1 1  -28   22    1 o  140.835   9.2820   55.277   7.0588   58.116   10.068   52.532   9.8999  144.465   12.897  137.204   13.353 7.261566 18.56396 
1 1 1  -28   22    2 o  105.715   12.306   32.471   6.6894   23.423   9.2322   42.473   9.7062   88.437   19.811  122.992   14.604 -34.55514 24.61202 
1 1 1  -28   22    3 o   73.334   14.860   14.988   6.8861   25.962   10.021   5.1715   9.4783   92.934   20.505   53.733   21.513 39.20109 29.71959 
1 1 1  -28   22    4 o  216.143   10.907  128.981   12.739  128.981   12.739   0.0000   0.0000  216.143   10.907  ?   ?       ?      ? 
1 1 1  -28   22    5 o   59.520   15.144   8.6287   6.5026   13.589   9.1393   3.5432   9.2540   68.096   21.888   50.944   20.936 17.15260 30.28876 
1 1 1  -28   22    6 o   73.432   15.499   16.066   6.6527   13.536   9.1586   18.892   9.6798   67.990   21.917   78.874   21.922 -10.88330 30.99876 
1 1 1  -28   22    7 o   62.047   15.222   10.190   6.5196   5.0531   9.4474   14.860   9.0083   53.486   21.455   70.609   21.599 -17.12350 30.44366 
1 1 1  -28   22    8 f  122.294   10.721   41.734   7.0506   47.411   10.556   37.163   9.4734  129.766   15.054  114.822   15.268 14.94404 21.44189 
1 1 1  -28   22    9 o   56.486   15.060   6.8756   6.5942   1.2587   9.7536   11.604   8.9494   48.930   20.883   64.041   21.705 -15.11092 30.11993 
1 1 1  -28   22   10 o  242.263   9.6841  161.363   12.677   0.0000   0.0000  161.363   12.677  ?   ?   242.263   9.6841      ?      ? 
1 1 1  -28   22   11 o  116.791   19.267   51.433   13.695   9.9752   24.492   70.293   16.519   77.866   33.159  155.715   19.632 -77.84967 38.53487 
1 1 1  -28   22   12 o   82.976   22.154   17.201   12.458   29.279   23.585   12.527   14.672   95.299   34.965   70.652   27.216 24.64706 44.30856 
1 1 1  -28   22   13 o  141.015   13.357   56.436   9.6222   54.298   11.750   60.788   16.766  138.458   15.705  143.572   21.611 -5.114334 26.71490 
1 1 1  -28   22   14 o   44.462   13.879  -1.4313   6.5405  -2.8966   9.6362  -0.1796   8.9063   43.814   19.649   45.110   19.608 -1.295490 27.75882 
1 1 1  -28   22   15 o  138.998   9.7233   53.574   7.2519   63.037   10.930   46.133   9.6926  149.923   13.492  128.073   14.005 21.84988 19.44668 
1 1 1  -28   22   16 o   51.644   14.267   3.4270   6.5479  -7.0549   10.074   11.094   8.6160   40.903   18.991   62.384   21.296 -21.48164 28.53422 
1 1 1  -28   22   17 o  147.624   9.3942   61.322   7.3633   60.275   11.462   62.058   9.6082  146.008   14.528  149.240   11.914 -3.232880 18.78836 
1 1 1  -28   22   18 o  140.802   9.9321   55.753   7.4708   57.015   11.505   54.833   9.8234  141.750   15.021  139.854   12.999 1.895813 19.86419 
1 1 1  -28   22   19 o  129.233   13.722   47.029   9.5828   0.0000   0.0000   47.029   9.5828  ?   ?   129.233   13.722      ?      ? 
1 1 1  -28   22   20 o   88.957   13.824   24.611   6.8188   12.910   9.8292   35.466   9.4674   66.445   22.746  111.470   15.718 -45.02424 27.64798 
1 1 1  -28   22   21 o   89.230   14.615   24.431   6.8486   24.643   10.536   24.276   9.0122   88.921   22.039   89.539   19.202 -0.6187744 29.23094 
1 1 1  -28   22   22 o   47.617   14.084   0.4140   6.6972  -9.5089   10.285   7.7194   8.8246   39.248   18.529   55.986   21.217 -16.73817 28.16889 
1 1 1  -28   22   23 o   33.732   11.521 -13.5101   6.4314 -18.9520   9.2381  -8.3921   8.9590   30.761   15.200   36.702   17.317 -5.940924 23.04144 
1 1 1  -28   22   24 o   48.618   14.477   2.4852   6.4662   4.0800   9.5901   1.1558   8.7559   51.381   21.235   45.855   19.684 5.526096 28.95494 
1 1 1  -28   22   25 o   58.878   14.229   4.8781   6.6340   20.581   10.138  -6.8797   8.7728   80.409   22.466   37.347   17.467 43.06268 28.45706 
1 1 1  -28   22   26 o   77.539   15.484   18.524   6.8039   24.215   10.433   14.313   8.9749   87.154   22.117   67.924   21.675 19.22968 30.96731 
1 1 1  -28   22   27 o  117.513   13.138   43.206   7.6647   34.464   12.139   49.002   9.8840  104.101   22.254  130.925   13.971 -26.82401 26.27624 
1 1 1  -28   22   28 o  117.760   18.288   40.541   9.0502   54.932   22.090   37.638   9.9210  121.836   32.818  113.684   16.150 8.151093 36.57651 
1 1 1  -28   22   29 o   62.660   18.555   6.9350   8.2752   13.196   20.336   5.6925   9.0592   72.884   30.584   52.436   21.018 20.44754 37.10943 
1 1 1  -28   22   30 o   73.102   17.854   16.703   8.4653   13.631   10.942   21.284   13.361   66.730   23.909   79.473   26.523 -12.74338 35.70837 
1 1 1  -28   22   31 o  108.895   15.939   38.981   9.1281   44.094   12.171   32.410   13.799  120.723   18.658   97.067   25.848 23.65611 31.87856 
1 1 1  -28   22   32 o  108.676   13.375   35.354   7.5456   47.359   11.617   26.595   9.9237  126.113   17.048   91.239   20.614 34.87326 26.74996 
1 1 1  -28   22   33 o   61.103   16.411   10.819   7.4735   9.8058   11.232   11.624   10.011   60.151   23.630   62.055   22.778 -1.903267 32.82119 
1 1 1  -28   22   34 o   53.835   15.710   5.9092   7.2599   9.5323   11.644   3.6050   9.2858   59.189   23.792   48.482   20.522 10.70658 31.41965 
1 1 1  -28   22   35 o   51.465   15.177   4.7140   7.0270   9.0065   10.691   1.4488   9.3240   57.272   22.876   45.658   19.950 11.61401 30.35359 
1 1 1  -28   22   36 o   55.675   16.545  -0.9977   10.037   17.757   13.826 -21.8919   14.593   71.467   26.669   39.882   19.590 31.58495 33.09028 
1 1 1  -28   22   37 o  231.574   11.407  154.441   13.586  100.450   17.705  231.757   21.187  181.144   18.088  282.004   13.904 -100.8600 22.81445 
1 1 1  -28   22   38 f   42.206   14.416 -16.4498   10.174  -7.0293   13.881 -27.3874   14.957   46.294   21.753   38.118   18.924 8.175716 28.83258 
1 1 1  -28   22   39 o   64.302   16.762   9.3454   8.3280   31.622   14.288  -2.1162   10.249   86.451   27.324   42.153   19.424 44.29816 33.52430 
1 1 1  -28   22   40 o  114.300   13.576   43.409   8.0314   46.298   12.716   41.491   10.359  114.636   21.312  113.964   16.822 0.6722870 27.15114 
1 1 1  -28   22   41 o   43.483   15.193 -19.8537   11.768 -16.9437   20.667 -21.2500   14.316   48.554   23.737   38.412   18.970 10.14204 30.38558 
1 1 1  -28   22   42 o   76.645   20.869   29.707   12.312   27.928   21.794   30.541   14.922   71.771   30.934   81.519   28.021 -9.747688 41.73853 
1 1 1  -28   23    1 o   77.651   15.121   18.306   6.6122   22.446   9.6523   14.645   9.0764   85.593   21.022   69.709   21.740 15.88348 30.24143 
1 1 1  -28   23    2 o  140.759   9.9253   54.725   7.4019   72.058   11.260   41.534   9.8226  160.428   12.988  121.090   15.012 39.33871 19.85065 
1 1 1  -28   23    3 o  108.686   11.843   33.778   6.9439   36.549   10.022   31.220   9.6296  113.093   16.400  104.279   17.089 8.813499 23.68566 
1 1 1  -28   23    4 o   95.427   14.222   26.890   7.2618   35.610   10.782   19.651   9.8238  111.023   17.973   79.832   22.046 31.19070 28.44364 
1 1 1  -28   23    6 o  107.174   17.115   32.998   9.9120   0.0000   0.0000   32.998   9.9120  ?   ?   107.174   17.115      ?      ? 
1 1 1  -28   23    7 o  119.472   11.343   41.062   7.2511   36.484   10.558   45.148   9.9759  112.576   17.356  126.369   14.609 -13.79317 22.68611 
1 1 1  -28   23    8 o   95.980   14.346   28.128   7.2974   23.210   10.886   32.141   9.8339   86.265   22.952  105.695   17.218 -19.43056 28.69217 
1 1 1  -28   23    9 o   95.953   21.931   24.785   13.238   52.320   22.995   11.135   16.190  122.171   33.725   69.736   28.046 52.43442 43.86294 
1 1 1  -28   23   10 o   83.511   22.417   18.979   13.441   30.405   22.928   12.995   16.591   94.827   34.522   72.196   28.605 22.63090 44.83352 
1 1 1  -28   23   11 o   75.163   18.338   16.938   8.6517   17.226   10.355   16.273   15.745   74.812   23.203   75.515   28.404 -0.7021637 36.67632 
1 1 1  -28   23   12 o   61.369   14.187   6.1960   6.9702   21.877   9.9783  -8.7467   9.7406   84.091   21.784   38.647   18.180 45.44340 28.37336 
1 1 1  -28   23   13 o   45.896   14.109  -1.0816   6.7428  -6.2731   9.6205   3.9308   9.4531   40.384   18.683   51.408   21.147 -11.02363 28.21808 
1 1 1  -28   23   14 o   77.792   14.695   17.035   6.9647   30.806   10.550   6.3956   9.2728  100.869   20.061   54.714   21.478 46.15517 29.38947 
1 1 1  -28   23   15 o   71.856   15.467   14.861   6.9940   23.617   10.273   7.2978   9.5484   87.212   21.846   56.499   21.902 30.71236 30.93448 
1 1 1  -28   23   16 o  112.495   12.837   38.591   7.2428   24.889   10.332   51.832   10.156   89.550   21.600  135.440   13.877 -45.88931 25.67409 
1 1 1  -28   23   17 o   99.416   13.780   30.254   7.1798   23.424   10.451   36.358   9.8803   86.420   22.248  112.412   16.266 -25.99158 27.55971 
1 1 1  -28   23   18 o  148.462   9.6250   62.137   7.6624   63.994   11.638   60.716   10.180  150.040   14.355  146.883   12.826 3.157013 19.25003 
1 1 1  -28   23   19 o   45.081   13.564  -3.0852   6.5786 -14.2096   9.3577   7.7854   9.2504   33.673   16.352   56.489   21.647 -22.81548 27.12898 
1 1 1  -28   23   20 o   51.607   15.108   4.0308   6.8383   4.8081   10.320   3.4224   9.1304   53.591   22.077   49.624   20.632 3.967030 30.21676 
1 1 1  -28   23   21 o   69.701   14.851   13.614   6.7296   24.481   9.9606   4.4877   9.1279   88.368   21.143   51.035   20.862 37.33322 29.70263 
1 1 1  -28   23   22 o  124.061   11.289   45.161   7.4327   40.451   11.195   48.875   9.9396  117.257   17.668  130.865   14.056 -13.60893 22.57720 
1 1 1  -28   23   23 o   64.252   16.094   11.157   7.0394   17.750   11.114   6.7397   9.0969   74.341   24.160   54.164   21.270 20.17654 32.18843 
1 1 1  -28   23   24 o   81.971   15.556   22.355   7.4134   13.587   11.377   28.825   9.7729   67.224   24.342   96.718   19.375 -29.49409 31.11140 
1 1 1  -28   23   25 f  111.062   13.830   42.177   7.5047   20.615   11.591   57.741   9.8474   79.351   24.538  142.773   12.764 -63.42176 27.65913 
1 1 1  -28   23   26 o   88.867   15.600   24.292   7.5302   34.203   11.722   17.328   9.8260  104.103   21.547   73.631   22.564 30.47169 31.19913 
1 1 1  -28   23   27 o   46.009   14.487  -1.9458   7.2764   2.8399   11.038  -5.6235   9.6765   51.655   22.135   40.364   18.696 11.29099 28.97403 
1 1 1  -28   23   28 o  138.192   11.332   57.175   8.2017   50.543   12.743   61.866   10.716  129.598   18.197  146.786   13.510 -17.18781 22.66405 
1 1 1  -28   23   29 o   58.593   17.816   6.2504   8.8560  -0.2187   20.647   7.7089   9.8037   61.329   28.002   55.856   22.034 5.473320 35.63118 
1 1 1  -28   23   30 o   69.518   18.218   15.785   8.6453   6.0991   20.341   17.921   9.5509   65.141   28.923   73.895   22.160 -8.754318 36.43633 
1 1 1  -28   23   31 o   60.696   16.193   8.2174   8.8118   20.196   11.311 -10.2748   14.054   76.368   24.330   45.024   21.375 31.34414 32.38522 
1 1 1  -28   23   32 o   54.532   15.765   6.8160   7.4531   10.316   10.754   3.5809   10.339   59.219   23.163   49.845   21.393 9.373573 31.53063 
1 1 1  -28   23   33 o   95.623   17.818   31.801   9.2560   27.028   12.050   38.671   14.455   87.406   24.518  103.840   25.860 -16.43447 35.63541 
1 1 1  -28   23   34 o   65.380   18.418   10.315   10.143   1.2444   13.315   22.860   15.658   52.270   23.293   78.489   28.536 -26.21951 36.83545 
1 1 1  -28   23   35 o   79.668   18.903   19.527   11.011   3.0495   14.760   40.203   16.534   55.819   24.718  103.516   28.607 -47.69679 37.80632 
1 1 1  -28   23   36 o   52.439   16.642   0.0384   10.086  -8.1554   14.130   8.5495   14.401   45.573   21.576   59.306   25.344 -13.73250 33.28467 
1 1 1  -28   23   37 f   67.843   16.452   15.890   7.9395   28.891   12.107   6.0805   10.516   85.175   24.800   50.511   21.624 34.66379 32.90335 
1 1 1  -28   23   38 o   57.962   16.068   9.1474   7.7654   19.654   11.813   1.1518   10.305   70.577   24.889   45.347   20.329 25.23032 32.13623 
1 1 1  -28   23   39 o   55.994   18.349  -3.9876   12.591   20.712   21.386 -17.0901   15.576   69.914   30.387   42.074   20.577 27.83969 36.69891 
1 1 1  -28   23   40 o   63.113   19.819   15.497   12.967   22.390   21.957   11.806   16.068   67.327   29.964   58.898   25.950 8.428616 39.63862 
1 1 1  -28   24    1 o   44.217   13.677  -3.4491   6.5862   5.2025   9.7025 -10.8422   8.9691   53.461   21.637   34.972   16.734 18.48956 27.35314 
1 1 1  -28   24    2 o   57.294   15.423   7.9051   6.6477   6.0856   9.3323   9.7794   9.4718   54.184   21.458   60.403   22.159 -6.219818 30.84578 
1 1 1  -28   24    3 o   41.470   13.250  -3.6019   6.3878  -6.3903   9.1018  -0.8953   8.9672   38.863   18.047   44.078   19.404 -5.214909 26.49934 
1 1 1  -28   24    4 o   58.349   15.370   8.7416   6.4615   8.3420   8.6907   9.2356   9.6622   57.005   21.169   59.694   22.291 -2.689178 30.74073 
1 1 1  -28   24    5 o   64.318   15.836   11.798   6.7976   14.236   9.7660   9.5068   9.4674   68.713   22.663   59.922   22.126 8.790653 31.67298 
1 1 1  -28   24    6 o   68.526   20.112   5.9260   9.1861   23.131   23.474   2.8147   9.9822   86.321   34.081   50.730   21.365 35.59109 40.22390 
1 1 1  -28   24    7 o   55.443   18.295 -10.3553   13.462 -28.2207   23.924  -2.0775   16.285   54.093   26.240   56.792   25.501 -2.698967 36.58964 
1 1 1  -28   24    8 o   64.743   20.265   1.5143   14.220 -10.9392   23.746   8.4775   17.756   61.563   28.775   67.923   28.544 -6.359459 40.53066 
1 1 1  -28   24    9 o  147.848   13.890   62.413   10.374   58.382   12.471   71.464   18.688  142.439   16.203  153.258   22.566 -10.81837 27.78053 
1 1 1  -28   24   10 f   61.099   15.919   9.9185   6.9847   7.4855   9.7785   12.453   9.9803   56.850   22.129   65.348   22.890 -8.497627 31.83788 
1 1 1  -28   24   11 o  125.182   11.899   45.652   7.9507   53.399   11.256   37.939   11.232  136.600   15.249  113.765   18.271 22.83527 23.79835 
1 1 1  -28   24   12 o  118.906   11.949   41.014   7.6768   40.518   10.760   41.529   10.956  118.199   16.846  119.613   16.951 -1.413513 23.89817 
1 1 1  -28   24   13 o   40.308   13.303  -7.3811   7.1345  -6.3962   9.7810  -8.5011   10.430   40.381   18.737   40.235   18.890 0.1460342 26.60613 
1 1 1  -28   24   14 o  107.434   13.164   34.296   7.4381   39.654   10.888   29.608   10.185  116.587   17.283   98.281   19.861 18.30587 26.32814 
1 1 1  -28   24   15 f  150.407   13.715   64.252   11.147   0.0000   0.0000   64.252   11.147  ?   ?   150.407   13.715      ?      ? 
1 1 1  -28   24   16 o   54.136   14.988   4.8459   6.8809   12.376   9.7892  -2.5083   9.6740   64.651   22.669   43.622   19.615 21.02949 29.97701 
1 1 1  -28   24   17 o   74.991   15.973   17.855   7.0310   19.750   9.9907   15.995   9.8967   78.667   22.416   71.314   22.762 7.353325 31.94615 
1 1 1  -28   24   18 o   85.531   14.327   23.006   7.0237   12.656   10.022   32.997   9.8462   65.041   22.927  106.022   17.186 -40.98129 28.65313 
1 1 1  -28   24   19 o  109.263   12.322   35.131   7.2704   36.364   10.516   34.002   10.063  111.046   17.524  107.479   17.327 3.566734 24.64405 
1 1 1  -28   24   20 o   72.097   15.865   15.261   7.3245   25.174   10.947   7.2253   9.8558   88.294   22.789   55.899   22.079 32.39444 31.73071 
1 1 1  -28   24   21 o   67.135   16.290   13.725   7.0792   15.073   10.784   12.704   9.3842   69.517   23.825   64.752   22.223 4.764328 32.58070 
1 1 1  -28   24   22 o   63.868   15.859   11.604   7.1026   5.9029   10.057   17.277   10.032   54.239   22.002   73.497   22.845 -19.25835 31.71741 
1 1 1  -28   24   23 o  117.326   12.885   43.179   7.5242   29.263   11.035   55.269   10.286   95.666   21.829  138.986   13.695 -43.32037 25.76978 
1 1 1  -28   24   24 o   61.591   16.250   10.946   7.2268   10.465   11.032   11.307   9.5650   61.462   23.619   61.719   22.324 -0.2571220 32.49960 
1 1 1  -28   24   25 o   81.102   14.097   21.622   7.6178   2.7720   11.556   36.107   10.130   52.041   22.478  110.163   17.018 -58.12185 28.19341 
1 1 1  -28   24   26 o   55.785   16.116   6.4046   7.6275   9.2465   11.749   4.3342   10.028   60.135   23.994   51.435   21.523 8.700653 32.23296 
1 1 1  -28   24   27 o   68.836   16.046   15.039   7.7374   4.6820   11.690   23.112   10.322   54.135   22.977   83.537   22.404 -29.40147 32.09178 
1 1 1  -28   24   28 o   46.813   14.603   0.1064   7.4188  -5.7070   11.398   4.3793   9.7719   43.219   20.111   50.407   21.179 -7.187717 29.20619 
1 1 1  -28   24   29 o  111.073   14.351   39.904   8.2663   42.248   12.331   37.991   11.140  113.561   20.864  108.586   19.711 4.974625 28.70276 
1 1 1  -28   24   30 o   52.776   17.588  -5.9550   12.198  -5.3874   21.418  -6.2275   14.840   57.094   26.888   48.458   22.681 8.635731 35.17610 
1 1 1  -28   24   31 f   51.925   24.003  -3.6689   15.835   0.0000   0.0000  -3.6689   15.835  ?   ?    51.925   24.003      ?      ? 
1 1 1  -28   24   32 o   88.589   27.995   29.302   14.999   29.302   14.999   0.0000   0.0000   88.589   27.995  ?   ?       ?      ? 
1 1 1  -28   24   33 o   47.417   15.787  -8.3922   10.660  -0.8543   13.209 -22.4707   18.051   49.879   22.627   44.955   22.021 4.923733 31.57397 
1 1 1  -28   24   34 o   68.424   18.253   16.751   9.0197   25.631   14.864   11.575   11.348   77.714   27.864   59.134   23.585 18.57943 36.50561 
1 1 1  -28   24   35 o   51.932   15.463   6.6281   7.7635  -0.0995   11.433   12.385   10.576   45.219   20.718   58.645   22.962 -13.42625 30.92686 
1 1 1  -28   24   36 o   50.897   15.505   5.1403   7.6889   6.4136   11.574   4.1344   10.287   52.909   22.669   48.885   21.161 4.024376 31.01087 
1 1 1  -28   24   37 o   33.230   11.646 -21.9030   8.1195 -36.8420   12.571 -11.2107   10.635   30.022   15.220   36.438   17.632 -6.416288 23.29250 
1 1 1  -28   24   38 o   53.068   17.656   1.6530   12.558   9.8761   20.230  -3.5023   16.018   58.378   27.037   47.758   22.715 10.61968 35.31275 
1 1 1  -28   25    1 o   41.354   13.364  -4.4631   6.6561  -2.2051   9.8475  -6.3624   9.0316   44.285   19.861   38.423   17.887 5.862278 26.72865 
1 1 1  -28   25    2 o   55.240   14.737   3.9195   6.9285   15.814   10.127  -6.5489   9.5002   71.043   23.061   39.437   18.355 31.60556 29.47350 
1 1 1  -28   25    3 o   51.934   14.953   4.7335   6.6592   2.4047   9.5287   6.9567   9.3102   48.887   20.746   54.980   21.539 -6.092541 29.90566 
1 1 1  -28   25    4 o   89.637   20.793   27.404   10.234   22.613   26.492   28.244   11.095   84.884   35.205   94.391   22.136 -9.507156 41.58641 
1 1 1  -28   25    5 o  102.812   22.981   39.933   14.659   30.631   24.757   44.955   18.190   91.773   35.352  113.851   29.373 -22.07792 45.96236 
1 1 1  -28   25    6 o   69.464   21.301   2.6892   14.805   22.883   24.043  -9.6441   18.790   84.227   34.071   54.701   25.577 29.52585 42.60281 
1 1 1  -28   25    7 o   54.019   16.746   2.2758   8.4469   3.9002   9.6539  -3.0293   17.446   51.043   21.218   56.995   25.913 -5.951752 33.49127 
1 1 1  -28   25    8 o   87.778   15.006   24.351   7.0704   21.227   10.045   27.419   9.9536   81.562   22.198   93.993   20.199 -12.43148 30.01250 
1 1 1  -28   25    9 o   71.700   15.773   16.126   6.8621   12.741   9.6824   19.543   9.7268   65.080   22.560   78.319   22.049 -13.23885 31.54524 
1 1 1  -28   25   10 o   86.616   15.532   24.222   7.4055   29.193   10.223   18.732   10.742   96.981   20.165   76.252   23.629 20.72847 31.06428 
1 1 1  -28   25   11 o  105.721   13.784   35.599   7.4837   51.501   10.537   19.411   10.631  133.932   14.559   77.511   23.411 56.42194 27.56857 
1 1 1  -28   25   12 o   96.576   14.553   29.067   7.5448   21.193   10.576   37.226   10.766   80.921   23.065  112.232   17.753 -31.31081 29.10584 
1 1 1  -28   25   13 o  105.831   13.457   33.962   7.5044   37.709   10.684   30.315   10.543  113.082   17.485   98.580   20.461 14.50169 26.91441 
1 1 1  -28   25   14 o   48.042   14.736   0.1825   7.1968   4.9129   10.518  -3.9825   9.8690   53.629   22.207   42.455   19.374 11.17425 29.47103 
1 1 1  -28   25   15 o  161.258   9.4511   73.824   8.2005   83.419   11.878   65.087   11.335  171.578   12.812  150.937   13.898 20.64035 18.90214 
1 1 1  -28   25   16 o   52.258   14.745   3.2588   6.9335   11.922   9.7605  -5.5662   9.8511   63.519   22.600   40.997   18.945 22.52149 29.49023 
1 1 1  -28   25   17 o   47.375   14.674   0.0429   7.2386  -2.7845   10.429   2.6708   10.055   44.787   20.231   49.964   21.260 -5.176754 29.34809 
1 1 1  -28   25   18 o   59.116   15.712   7.8835   7.2452   15.961   10.665   0.9619   9.8730   70.765   23.696   47.466   20.639 23.29930 31.42381 
1 1 1  -28   25   19 o  102.445   14.301   32.582   7.7328   45.775   11.388   21.293   10.534  124.399   16.941   80.491   23.045 43.90755 28.60185 
1 1 1  -28   25   20 o   42.190   13.821  -5.6629   7.4870  -6.6580   10.837  -4.7542   10.356   41.924   19.543   42.456   19.550 -0.5322037 27.64244 
1 1 1  -28   25   21 o   87.102   15.636   25.006   7.5488   18.411   10.704   31.531   10.647   74.503   23.661   99.701   20.449 -25.19761 31.27291 
1 1 1  -28   25   22 o   69.256   16.949   15.510   7.7291   15.012   10.996   15.996   10.867   68.417   24.023   70.096   23.916 -1.679840 33.89842 
1 1 1  -28   25   23 o  122.633   13.002   46.602   8.2301   39.750   12.126   52.455   11.207  111.672   20.861  133.594   15.524 -21.92183 26.00386 
1 1 1  -28   25   24 o   50.856   15.241   2.1226   7.5116   9.8420   11.221  -4.1448   10.111   59.703   23.566   42.010   19.334 17.69344 30.48243 
1 1 1  -28   25   25 o   65.943   16.366   13.248   7.6097   21.952   11.366   6.1757   10.245   78.804   24.287   53.082   21.944 25.72158 32.73226 
1 1 1  -28   25   26 o   40.151   13.406  -7.8440   7.6224  -5.8674   10.963  -9.6938   10.605   41.896   19.572   38.407   18.327 3.488884 26.81300 
1 1 1  -28   25   27 o  120.029   15.650   48.285   9.6242   52.205   12.557   42.703   14.984  130.412   17.819  109.645   25.732 20.76685 31.29942 
1 1 1  -28   25   28 o   49.343   16.171  -4.5862   10.154  -5.2748   13.456  -3.6757   15.474   47.223   21.934   51.464   23.768 -4.240402 32.34228 
1 1 1  -28   25   29 o  136.731   17.277   63.509   12.142   42.928   16.784   86.104   17.586  107.465   28.454  165.998   19.605 -58.53246 34.55430 
1 1 1  -28   25   30 o   49.359   16.250  -5.7299   10.711   0.1517   14.624 -12.5360   15.732   52.678   23.862   46.039   22.064 6.639721 32.49926 
1 1 1  -28   25   31 o   67.152   24.546   16.789   11.607   0.0000   0.0000   16.789   11.607  ?   ?    67.152   24.546      ?      ? 
1 1 1  -28   25   32 o   41.116   14.433 -13.1917   9.3304 -19.9550   21.655 -11.6498   10.339   47.026   23.244   35.205   17.117 11.82097 28.86640 
1 1 1  -28   25   33 o   58.609   17.423   8.7624   9.3563   2.1102   12.038   18.912   14.870   48.822   21.923   68.397   27.087 -19.57550 34.84684 
1 1 1  -28   25   34 o   40.762   13.603  -7.6518   8.0444 -15.3812   11.707  -0.7368   11.073   36.430   17.821   45.094   20.557 -8.664246 27.20632 
1 1 1  -28   25   35 o   51.302   15.752   6.2436   8.0104   7.2121   12.472   5.5637   10.451   53.061   23.133   49.543   21.388 3.518032 31.50463 
1 1 1  -28   25   36 o   51.813   17.287  -2.2124   11.782   16.991   20.037 -12.3604   14.566   62.387   28.125   41.239   20.110 21.14772 34.57471 
1 1 1  -28   26    1 o   70.581   19.923 -14.3774   9.6640   49.324   25.662 -24.9040   10.432  110.329   36.754   30.834   15.388 79.49467 39.84573 
1 1 1  -28   26    2 o   63.597   20.454  -3.2864   14.814   11.387   24.539 -11.7004   18.582   74.303   32.419   52.891   24.950 21.41165 40.90801 
1 1 1  -28   26    3 o  104.367   25.198   40.647   16.389   53.806   28.054   33.829   20.193  113.271   38.429   95.464   32.602 17.80632 50.39519 
1 1 1  -28   26    4 o   77.254   22.634   2.7284   15.825   44.347   28.023 -16.7590   19.175  103.359   38.084   51.149   24.472 52.21044 45.26887 
1 1 1  -28   26    5 o   61.631   15.691   10.493   7.0289   15.687   9.6424   4.6046   10.268   70.454   22.465   52.808   21.911 17.64626 31.38102 
1 1 1  -28   26    6 o  110.995   13.242   38.181   7.4990   47.555   10.371   27.907   10.857  128.412   14.945   93.577   21.864 34.83453 26.48403 
1 1 1  -28   26    7 o  134.861   10.597   52.480   7.7106   52.341   10.614   52.636   11.220  134.914   14.559  134.809   15.403 0.1048889 21.19455 
1 1 1  -28   26    8 o  108.535   13.536   37.043   7.4916   45.493   10.172   27.027   11.075  125.512   14.998   91.557   22.537 33.95472 27.07107 
1 1 1  -28   26    9 o   78.740   15.749   19.998   7.0701   23.177   9.9736   16.787   10.024   85.099   21.640   72.381   22.887 12.71787 31.49753 
1 1 1  -28   26   10 o  102.549   13.626   32.191   7.3812   35.037   10.426   29.332   10.452  108.586   17.768   96.511   20.664 12.07517 27.25292 
1 1 1  -28   26   11 o   41.721   13.572  -4.7696   7.0304  -5.1852   9.7365  -4.3170   10.162   40.855   18.863   42.587   19.520 -1.732536 27.14476 
1 1 1  -28   26   12 o   51.417   15.301   3.8819   7.2237   3.5519   9.9475   4.2501   10.507   50.520   21.305   52.313   21.969 -1.793354 30.60284 
1 1 1  -28   26   13 o   57.330   15.153   5.2624   7.5674   17.935   10.513  -8.3644   10.902   73.872   23.447   40.788   19.201 33.08366 30.30566 
1 1 1  -28   26   14 o   92.303   14.541   27.056   7.6714   42.880   11.140   12.783   10.580  119.976   17.183   64.630   23.463 55.34589 29.08183 
1 1 1  -28   26   15 o   42.352   13.663  -4.1782   6.9544  -7.6207   9.4143  -0.0432   10.318   37.875   17.834   46.829   20.705 -8.953617 27.32621 
1 1 1  -28   26   16 o   89.956   15.148   26.046   8.0128   40.116   11.489   12.719   11.181  115.148   18.464   64.764   24.019 50.38440 30.29571 
1 1 1  -28   26   17 o   64.500   16.082   11.710   7.6662   2.7307   10.944   20.361   10.742   50.934   21.937   78.066   23.522 -27.13199 32.16416 
1 1 1  -28   26   18 o  132.659   11.645   52.090   8.3180   58.384   12.116   46.479   11.440  140.585   15.949  124.732   16.973 15.85358 23.29059 
1 1 1  -28   26   19 o   43.641   14.136  -4.8291   7.6653   1.0601   11.000 -10.3877   10.687   48.763   21.478   38.519   18.386 10.24369 28.27274 
1 1 1  -28   26   20 o   49.840   15.202   1.7042   7.6827   8.1616   11.144  -4.1444   10.606   56.894   23.131   42.787   19.732 14.10652 30.40358 
1 1 1  -28   26   21 o   92.827   16.368   29.822   8.1814   28.580   11.996   30.902   11.187   89.991   24.160   95.664   22.088 -5.672195 32.73511 
1 1 1  -28   26   22 o  124.901   13.960   49.775   8.7666   69.957   12.877   32.341   11.968  152.838   15.592   96.964   23.160 55.87457 27.91953 
1 1 1  -28   26   23 o   51.476   16.341   0.3676   9.2371  -1.3930   11.873   3.0676   14.703   47.486   21.506   55.467   24.610 -7.981148 32.68281 
1 1 1  -28   26   24 o   60.978   18.164   7.2679   10.409   0.2029   14.033   15.912   15.522   52.362   23.577   69.595   27.638 -17.23302 36.32853 
1 1 1  -28   26   25 o  116.631   17.305   45.296   11.279   21.831   14.898   76.802   17.263   77.456   27.883  155.806   20.504 -78.35052 34.60991 
1 1 1  -28   26   26 o   53.195   17.004   0.1315   10.429  -0.0776   14.372   0.3640   15.156   52.496   23.728   53.894   24.363 -1.398529 34.00854 
1 1 1  -28   26   27 o   63.548   18.610   12.234   10.557   15.356   14.412   8.6194   15.507   66.881   26.610   60.215   26.023 6.666527 37.21933 
1 1 1  -28   26   28 o   41.861   14.226  -9.7258   8.9811  -4.2680   14.489 -13.1314   11.445   46.869   22.085   36.852   17.939 10.01687 28.45269 
1 1 1  -28   26   29 o  124.711   13.789   53.796   8.7286   43.653   12.959   62.217   11.809  108.718   22.788  140.704   15.531 -31.98608 27.57761 
1 1 1  -28   26   30 o   35.902   12.390 -14.1867   7.8737 -15.7578   11.224 -12.6647   11.048   35.258   17.290   36.546   17.752 -1.288097 24.78030 
1 1 1  -28   26   31 o   70.536   17.226   18.546   8.2229   25.012   11.957   12.744   11.327   80.300   24.937   60.771   23.772 19.52855 34.45202 
1 1 1  -28   26   32 o   57.580   16.072   9.8924   9.4695 -25.2477   19.708   20.440   10.798   43.368   21.563   71.792   23.837 -28.42394 32.14328 
1 1 1  -28   26   33 o   60.992   17.970   15.034   9.4670   9.3941   21.830   16.340   10.506   58.191   27.323   63.793   23.347 -5.601917 35.93906 
1 1 1  -28   27    1 o   56.535   19.017 -11.8629   15.688 -25.1802   26.966  -5.0495   19.288   56.422   27.480   56.647   26.294 -0.2246933 38.03322 
1 1 1  -28   27    2 o   51.311   16.027   1.5708   8.3908   6.5592   9.1977 -23.1757   20.486   53.302   21.241   49.321   24.006 3.980705 32.05470 
1 1 1  -28   27    3 o   40.941   13.406  -6.7885   7.1628 -12.4957   9.9430  -0.6317   10.327   35.688   17.215   46.194   20.555 -10.50615 26.81146 
1 1 1  -28   27    4 o   53.648   15.232   4.9406   7.0089  -0.7680   9.4493   11.923   10.450   44.277   19.683   63.019   23.251 -18.74181 30.46369 
1 1 1  -28   27    5 o   57.846   16.001   8.5111   7.2714   6.3998   9.9133   10.970   10.698   54.032   21.870   61.661   23.363 -7.629051 32.00200 
1 1 1  -28   27    6 o   75.056   15.543   18.591   7.2600   26.136   9.8931   9.7858   10.687   90.283   20.718   59.828   23.177 30.45530 31.08681 
1 1 1  -28   27    7 f  107.688   13.720   35.981   7.7741   36.728   10.589   35.107   11.450  110.533   17.729  104.843   20.943 5.690002 27.43946 
1 1 1  -28   27    8 o   44.870   14.043  -2.1251   7.1609   4.6924   9.5426 -10.9127   10.834   51.031   21.144   38.709   18.486 12.32212 28.08546 
1 1 1  -28   27    9 o   96.898   14.941   30.525   7.6141   34.336   10.558   26.396   10.991  104.661   19.383   89.134   22.744 15.52737 29.88280 
1 1 1  -28   27   10 o   56.982   15.150   5.6978   7.1605  -4.2174   9.6694   17.737   10.655   41.169   18.932   72.795   23.656 -31.62622 30.29921 
1 1 1  -28   27   11 o   44.779   14.275  -2.3453   7.3095  -5.6773   9.8539   1.7313   10.899   40.211   18.708   49.346   21.566 -9.135452 28.54924 
1 1 1  -28   27   12 o   66.770   16.469   14.296   7.6852   20.148   10.646   7.9287   11.106   76.701   23.483   56.839   23.098 19.86165 32.93864 
1 1 1  -28   27   13 f   48.796   14.381  -4.8537   7.5659 -20.9847   10.264   14.341   11.196   31.593   15.684   65.998   24.110 -34.40501 28.76189 
1 1 1  -28   27   14 o   99.373   15.300   33.056   8.2038   41.278   11.573   24.749   11.632  115.144   18.599   83.603   24.298 31.54118 30.59957 
1 1 1  -28   27   15 o   61.373   16.521   11.150   7.9077   5.2825   11.282   16.816   11.087   53.120   22.560   69.627   24.141 -16.50705 33.04141 
1 1 1  -28   27   16 o  129.009   12.472   51.230   8.6884   49.049   12.239   53.445   12.336  125.926   17.987  132.091   17.283 -6.164345 24.94399 
1 1 1  -28   27   17 o   46.342   14.601  -2.8161   7.8975   6.5286   11.049 -12.5763   11.292   54.552   22.690   38.132   18.382 16.42022 29.20128 
1 1 1  -28   27   18 o   44.961   14.518  -2.8919   7.8666  -4.6277   11.055  -1.1111   11.197   43.296   20.029   46.627   21.022 -3.331665 29.03559 
1 1 1  -28   27   19 o   35.672   12.605 -26.7329   9.0558 -29.5284   11.368 -21.8784   14.981   30.715   15.433   40.630   19.935 -9.915167 25.21064 
1 1 1  -28   27   20 o  194.562   12.057  109.226   12.271   78.649   15.775  156.081   19.528  160.112   18.233  229.011   15.780 -68.89899 24.11356 
1 1 1  -28   27   21 o   55.344   17.321   2.9886   10.158   3.7027   13.319   1.9955   15.706   54.617   23.855   56.071   25.119 -1.454147 34.64180 
1 1 1  -28   27   22 o   47.989   15.642 -10.9612   10.472   7.2838   14.212 -32.6351   15.490   58.698   25.134   37.281   18.628 21.41771 31.28398 
1 1 1  -28   27   23 o   62.931   18.669   11.878   10.686   9.3243   14.484   14.928   15.830   59.672   25.458   66.191   27.313 -6.518875 37.33778 
1 1 1  -28   27   24 o   56.546   16.694   6.4133   9.1017   19.921   13.675  -4.3279   12.195   69.525   26.397   43.566   20.445 25.95964 33.38845 
1 1 1  -28   27   25 o   53.366   15.703   6.6953   8.0841  -2.4976   11.512   15.640   11.355   43.378   20.194   63.355   24.054 -19.97674 31.40686 
1 1 1  -28   27   26 o  101.353   16.082   37.170   8.6080   41.934   12.444   32.798   11.920  108.833   21.917   93.873   23.542 14.95918 32.16481 
1 1 1  -28   27   27 o   67.638   16.403   15.783   8.3195   3.5324   12.047   26.952   11.503   50.497   22.347   84.780   24.016 -34.28310 32.80504 
1 1 1  -28   27   28 o  103.588   15.388   38.613   8.4963   29.637   12.283   46.848   11.765   87.148   24.862  120.028   18.140 -32.87999 30.77600 
1 1 1  -28   27   29 o   72.349   17.472   21.618   8.1965   23.703   11.988   19.787   11.232   75.155   25.122   69.542   24.288 5.612511 34.94336 
1 1 1  -28   27   30 o   66.298   17.050   17.926   8.0802   23.472   11.745   12.944   11.133   74.238   24.867   58.358   23.333 15.88038 34.09942 
1 1 1  -28   28    1 o   82.185   15.866   23.960   7.7470   31.340   10.292   14.312   11.768   98.403   20.036   65.967   24.606 32.43658 31.73167 
1 1 1  -28   28    2 o   57.845   16.196   8.9081   7.7575   12.993   10.467   3.9302   11.555   63.501   23.294   52.189   22.509 11.31137 32.39260 
1 1 1  -28   28    3 o   46.765   14.436   0.0977   7.3377   6.5427   9.6473  -8.7482   11.302   52.912   21.518   40.617   19.249 12.29533 28.87117 
1 1 1  -28   28    4 o   67.611   16.635   15.008   7.4271   12.087   9.8282   18.896   11.340   61.758   22.584   73.464   24.431 -11.70587 33.27038 
1 1 1  -28   28    5 o   43.533   13.987  -2.1230   7.1100  -1.6777   9.3652  -2.7289   10.924   42.494   19.186   44.572   20.357 -2.077946 27.97347 
1 1 1  -28   28    6 o   55.169   15.897   7.0099   7.4239   4.6230   9.8184   10.196   11.344   50.570   21.237   59.768   23.662 -9.198395 31.79473 
1 1 1  -28   28    7 o   57.433   15.931   7.6976   7.5612   1.1526   10.294   15.367   11.143   47.257   20.797   67.609   24.138 -20.35116 31.86165 
1 1 1  -28   28    8 o   95.378   15.457   30.574   7.8537   36.003   11.036   25.001   11.180  105.757   20.044   85.000   23.536 20.75624 30.91443 
1 1 1  -28   28    9 o   42.502   13.774  -4.7198   7.4351   1.2820   9.9007 -12.4817   11.259   46.782   20.497   38.221   18.407 8.561573 27.54881 
1 1 1  -28   28   10 o   49.264   15.000  -1.1551   7.6319  -9.8683   10.013   10.924   11.790   37.202   17.768   61.326   24.172 -24.12388 29.99953 
1 1 1  -28   28   11 o   64.615   15.514   9.1561   7.7945  -4.4227   10.442   26.243   11.713   42.330   19.541   86.900   24.102 -44.56946 31.02816 
1 1 1  -28   28   12 o   45.774   14.447  -1.9015   7.3749  -7.0867   9.8966   4.5733   11.059   39.018   18.345   52.531   22.324 -13.51246 28.89417 
1 1 1  -28   28   13 o  112.996   15.278   44.517   8.6926   54.723   11.236   29.302   13.719  135.996   15.290   89.996   26.455 46.00016 30.55563 
1 1 1  -28   28   14 o   54.538   16.426   2.6873   9.2070   12.349   12.528  -8.6599   13.577   63.901   24.999   45.175   21.315 18.72612 32.85226 
1 1 1  -28   28   15 f   55.723   17.169   4.3899   9.7397   6.4324   13.130   1.8910   14.523   57.061   24.288   54.385   24.274 2.675655 34.33884 
1 1 1  -28   28   16 o   71.397   18.984   17.834   9.9870   14.516   13.739   21.552   14.542   66.612   26.145   76.182   27.531 -9.570366 37.96730 
1 1 1  -28   28   17 o   42.873   14.534 -13.6074   9.6880 -22.5901   13.188  -3.0788   14.278   36.577   18.090   49.169   22.752 -12.59205 29.06720 
1 1 1  -28   28   18 o   62.860   17.327   7.4786   9.2522  -5.2455   11.654   29.167   15.216   42.629   19.999   83.092   28.301 -40.46212 34.65389 
1 1 1  -28   28   19 o   42.686   14.515  -9.3092   9.7554  -7.0991   12.742 -12.4392   15.164   42.382   20.187   42.991   20.862 -0.6094246 29.02996 
1 1 1  -28   28   20 o   55.162   16.687   9.0404   8.9348   5.8311   13.599   11.478   11.851   52.699   23.508   57.624   23.689 -4.925789 33.37326 
1 1 1  -28   28   21 f   41.166   13.742  -8.6324   8.2093 -18.4854   11.320   2.2987   11.923   33.909   16.769   48.424   21.775 -14.51519 27.48351 
1 1 1  -28   28   22 o   47.431   15.031   0.6850   8.0832  -4.1273   11.273   5.7774   11.597   42.638   19.894   52.225   22.537 -9.586559 30.06186 
1 1 1  -28   28   23 o   44.008   14.431  -3.5067   8.2896   0.4388   11.375  -7.9752   12.106   46.633   21.091   41.383   19.701 5.249062 28.86125 
1 1 1  -28   28   24 o   72.682   17.487   21.050   8.2654   23.398   11.663   18.681   11.715   76.678   24.735   68.686   24.725 7.991905 34.97357 
1 1 1  -28   28   25 o   66.365   17.202   17.906   8.1245   20.394   11.512   15.437   11.467   70.223   24.585   62.507   24.065 7.715710 34.40321 
1 1 1  -28   28   26 o   49.346   15.313   4.9815   8.0042   9.2845   11.142   0.3922   11.506   53.662   22.584   45.030   20.688 8.631264 30.62681 
1 1 1  -28   29    1 o   48.104   14.887   2.0376   7.6390   6.7546   9.9714  -4.6639   11.885   52.416   21.657   43.792   20.431 8.623737 29.77349 
1 1 1  -28   29    2 o   47.532   14.905   1.0867   7.4491  -1.4680   9.5612   5.0325   11.882   42.406   19.243   52.659   22.769 -10.25305 29.81089 
1 1 1  -28   29    3 o   47.883   14.986   1.3990   7.4943  -0.8272   9.6293   4.8189   11.935   43.210   19.487   52.556   22.772 -9.345917 29.97139 
1 1 1  -28   29    4 o   76.603   25.450   22.124   12.307   0.0000   0.0000   22.124   12.307  ?   ?    76.603   25.450      ?      ? 
1 1 1  -28   29    5 o  104.847   17.104   39.768   9.2823   40.415   11.701   38.671   15.245  110.199   20.402   99.495   27.459 10.70346 34.20813 
1 1 1  -28   29    6 o   41.299   13.965  -9.2664   8.4812 -10.4265   10.796  -7.3964   13.707   37.759   18.144   44.839   21.235 -7.080601 27.93089 
1 1 1  -28   29    7 o   57.291   17.003   8.9556   8.7697   7.5833   11.425   10.923   13.682   54.572   22.913   60.011   25.129 -5.439106 34.00663 
1 1 1  -28   29    8 o   54.141   16.589   5.3559   8.8704   0.5773   11.489   12.410   13.958   46.977   21.226   61.305   25.501 -14.32784 33.17876 
1 1 1  -28   29    9 o   61.681   17.576   12.791   9.4489   19.734   13.069   5.1869   13.677   70.061   25.971   53.301   23.689 16.76030 35.15162 
1 1 1  -28   29   10 o   57.785   17.022   10.702   8.7147   9.3176   11.424   12.628   13.477   55.397   23.059   60.173   25.046 -4.775112 34.04451 
1 1 1  -28   29   11 o   78.998   18.571   26.098   9.1467   24.212   11.835   28.896   14.414   77.229   24.916   80.766   27.545 -3.536888 37.14225 
1 1 1  -28   29   12 o   87.774   17.561   32.948   9.5035   41.486   12.455   21.047   14.703  106.401   22.372   69.148   27.074 37.25298 35.12154 
1 1 1  -28   29   13 o   55.440   16.627   4.7503   9.1095  -6.3536   11.782   21.252   14.363   41.110   19.532   69.770   26.913 -28.66002 33.25407 
1 1 1  -28   29   14 f   54.877   16.086   7.9920   8.2270   0.7128   11.792   14.897   11.484   46.815   21.292   62.939   24.119 -16.12347 32.17286 
1 1 1  -28   29   15 o   70.102   17.012   18.731   7.8083   20.403   11.006   17.037   11.079   73.029   24.058   67.176   24.059 5.852493 34.02430 
1 1 1  -28   29   16 o   45.205   14.066  -3.7145   7.6365   10.162   10.563 -18.9069   11.053   56.914   22.737   33.495   16.565 23.41966 28.13142 
1 1 1  -28   29   17 f   57.924   16.348   10.477   7.8903   14.323   10.958   6.3359   11.371   63.185   23.710   52.664   22.514 10.52114 32.69595 
1 1 1  -28   29   18 o   44.225   14.290  -0.9515   7.5712  -1.8418   10.151   0.1650   11.367   42.366   19.451   46.084   20.939 -3.718800 28.57921 
1 1 1  -28   29   19 o   55.313   16.174   9.1376   7.9730   4.9382   10.909   13.953   11.682   49.533   21.613   61.094   24.067 -11.56057 32.34745 
1 1 1  -28   29   20 o   58.006   16.419   10.829   8.2341   2.9811   11.257   19.861   12.076   47.367   21.240   68.645   25.045 -21.27798 32.83833 
1 1 1  -28   29   21 o   51.498   15.912   6.8156   8.3555   5.2002   11.310   8.7566   12.398   49.264   21.735   53.731   23.245 -4.466248 31.82317 
1 1 1  -28   30    1 o   73.563   16.265   21.302   8.8335   32.072   11.164   3.2703   14.445   94.603   22.218   52.522   23.760 42.08088 32.52942 
1 1 1  -28   30    2 o  105.628   17.162   39.562   9.3016   33.694   11.573   50.270   15.633   96.775   22.549  114.481   25.879 -17.70596 34.32457 
1 1 1  -28   30    3 o   71.222   18.217   19.987   8.8733   19.556   11.188   20.716   14.568   71.457   24.268   70.987   27.174 0.4703369 36.43353 
1 1 1  -28   30    4 o   55.013   16.662   7.7636   8.6810   8.2725   10.910   6.8851   14.333   54.398   22.579   55.627   24.509 -1.229763 33.32404 
1 1 1  -28   30    5 o   45.244   14.833  -2.5986   8.6650   1.1345   10.849  -9.1757   14.400   46.353   20.813   44.136   21.141 2.216831 29.66698 
1 1 1  -28   30    6 o   58.682   16.636   11.272   8.1572   14.468   11.281   7.7699   11.809   62.996   23.961   54.369   23.086 8.626450 33.27283 
1 1 1  -28   30    7 o   80.631   17.583   25.476   8.5430   20.932   11.895   30.317   12.277   72.710   25.017   88.551   24.716 -15.84114 35.16681 
1 1 1  -28   30    8 o   51.042   15.696   4.8890   8.2805   9.2870   11.290  -0.2306   12.181   55.426   22.985   46.658   21.380 8.768703 31.39112 
1 1 1  -28   30    9 o   52.039   15.501   4.2554   7.8539  -4.4068   10.431   15.595   11.935   40.400   18.943   63.678   24.541 -23.27785 31.00159 
1 1 1  -28   30   10 o   48.595   15.083   2.8756   7.9194  -4.0530   11.201   9.8023   11.199   41.794   19.607   55.396   22.926 -13.60292 30.16620 
1 1 1  -28   30   11 o   67.244   16.942   18.268   7.9174   20.965   10.611   14.881   11.891   72.643   23.607   61.844   24.308 10.79977 33.88481 
1 1 1  -28   30   12 o   58.353   16.490   12.363   7.8014   10.511   10.341   14.809   11.886   55.349   22.360   61.357   24.243 -6.007767 32.97997 
1 1 1  -28   30   13 o   38.322   13.021  -8.7737   7.7334 -12.9454   10.276  -3.3262   11.743   34.061   16.670   42.584   20.009 -8.522896 26.04277 
1 1 1  -28   30   14 o   57.230   16.365   12.093   7.8279   12.359   10.458   11.753   11.804   57.577   22.743   56.883   23.538 0.6937904 32.73076 
1 1 1  -27    0    1 f  226.344   5.2124  138.908   8.9942  138.908   8.9942  138.908   8.9942  226.344   7.3714  226.344   7.3714 0.000000 0.000000 
1 1 1  -27    0    2 o  421.812   5.9855  481.529   19.277  481.529   19.277  481.529   19.277  421.812   8.4648  421.812   8.4648 0.000000 0.000000 
1 1 1  -27    0    3 o  246.504   5.2687  164.684   9.9045  164.684   9.9045  164.684   9.9045  246.504   7.4511  246.504   7.4511 0.000000 0.000000 
1 1 1  -27    0    4 o  497.736   6.6910  670.471   25.430  670.471   25.430  670.471   25.430  497.736   9.4625  497.736   9.4625 0.000000 0.000000 
1 1 1  -27    0    5 o   71.219   14.031   16.554   6.6065   16.554   6.6065   16.554   6.6065   71.219   19.843   71.219   19.843 0.000000 0.000000 
1 1 1  -27    0    6 o  215.454   7.7402  126.487   12.669  126.487   12.669  126.487   12.669  215.454   10.946  215.454   10.946 0.000000 0.000000 
1 1 1  -27    0    7 o   20.712   10.586 -16.7590   8.7197 -16.7590   8.7197 -16.7590   8.7197   20.712   14.970   20.712   14.970 0.000000 0.000000 
1 1 1  -27    0    8 o  565.440   10.478  866.892   45.207  866.892   45.207  866.892   45.207  565.440   14.819  565.440   14.819 0.000000 0.000000 
1 1 1  -27    0    9 o  670.623   11.995  1219.82   61.383  1219.82   61.383  1219.82   61.383  670.623   16.963  670.623   16.963 0.000000 0.000000 
1 1 1  -27    0   10 o   19.477   9.8710 -11.1673   6.8880 -11.1673   6.8880 -11.1673   6.8880   19.477   13.960   19.477   13.960 0.000000 0.000000 
1 1 1  -27    0   11 o  432.523   6.1488  506.323   20.305  506.323   20.305  506.323   20.305  432.523   8.6957  432.523   8.6957 0.000000 0.000000 
1 1 1  -27    0   12 o  436.870   6.2055  516.553   20.698  516.553   20.698  516.553   20.698  436.870   8.7759  436.870   8.7759 0.000000 0.000000 
1 1 1  -27    0   13 o   76.568   15.380   19.262   7.7964   19.262   7.7964   19.262   7.7964   76.568   21.751   76.568   21.751 0.000000 0.000000 
1 1 1  -27    0   14 o  194.250   6.1749  102.619   9.1241  102.619   9.1241  102.619   9.1241  194.250   8.7326  194.250   8.7326 0.000000 0.000000 
1 1 1  -27    0   15 f  608.229   7.8673  1001.43   36.540  1001.43   36.540  1001.43   36.540  608.229   11.126  608.229   11.126 0.000000 0.000000 
1 1 1  -27    0   16 o  177.723   6.5764   86.095   8.8758   86.095   8.8758   86.095   8.8758  177.723   9.3004  177.723   9.3004 0.000000 0.000000 
1 1 1  -27    0   17 o   29.229   13.506  -0.9453   7.4220  -0.9453   7.4220  -0.9453   7.4220   29.229   19.101   29.229   19.101 0.000000 0.000000 
1 1 1  -27    0   18 o  661.745   8.4104  1185.81   42.501  1185.81   42.501  1185.81   42.501  661.745   11.894  661.745   11.894 0.000000 0.000000 
1 1 1  -27    0   19 o  790.012   9.8034  1690.75   59.144  1690.75   59.144  1690.75   59.144  790.012   13.864  790.012   13.864 0.000000 0.000000 
1 1 1  -27    0   20 o  105.990   10.357   32.100   7.9320   32.100   7.9320   32.100   7.9320  105.990   14.647  105.990   14.647 0.000000 0.000000 
1 1 1  -27    0   21 o  323.263   5.6564  283.034   13.954  283.034   13.954  283.034   13.954  323.263   7.9993  323.263   7.9993 0.000000 0.000000 
1 1 1  -27    0   22 o  157.594   7.2209   68.021   8.6126   68.021   8.6126   68.021   8.6126  157.594   10.212  157.594   10.212 0.000000 0.000000 
1 1 1  -27    0   23 o   24.670   12.077  -6.4662   7.8082  -6.4662   7.8082  -6.4662   7.8082   24.670   17.079   24.670   17.079 0.000000 0.000000 
1 1 1  -27    0   24 o   63.658   17.796   15.168   8.3318   15.168   8.3318   15.168   8.3318   63.658   25.167   63.658   25.167 0.000000 0.000000 
1 1 1  -27    0   25 o  531.863   7.1318  766.177   28.963  766.177   28.963  766.177   28.963  531.863   10.086  531.863   10.086 0.000000 0.000000 
1 1 1  -27    0   26 o  213.999   6.0509  124.455   9.8595  124.455   9.8595  124.455   9.8595  213.999   8.5573  213.999   8.5573 0.000000 0.000000 
1 1 1  -27    0   27 o  117.048   9.4874   38.550   8.1974   38.550   8.1974   38.550   8.1974  117.048   13.417  117.048   13.417 0.000000 0.000000 
1 1 1  -27    0   28 f  314.002   5.7318  267.234   13.733  267.234   13.733  267.234   13.733  314.002   8.1060  314.002   8.1060 0.000000 0.000000 
1 1 1  -27    0   29 o   29.483   14.539 -11.2365   11.880 -11.2365   11.880 -11.2365   11.880   29.483   20.562   29.483   20.562 0.000000 0.000000 
1 1 1  -27    0   32 f   88.419   13.860   24.142   8.1870   24.142   8.1870   24.142   8.1870   88.419   19.601   88.419   19.601 0.000000 0.000000 
1 1 1  -27    0   33 o  132.231   8.1986   48.502   8.1382   48.502   8.1382   48.502   8.1382  132.231   11.595  132.231   11.595 0.000000 0.000000 
1 1 1  -27    0   34 o  253.106   5.8087  174.005   11.208  174.005   11.208  174.005   11.208  253.106   8.2147  253.106   8.2147 0.000000 0.000000 
1 1 1  -27    0   35 o   95.749   11.839   27.115   7.8701   27.115   7.8701   27.115   7.8701   95.749   16.743   95.749   16.743 0.000000 0.000000 
1 1 1  -27    0   36 o   53.247   16.948   11.270   7.3847   11.270   7.3847   11.270   7.3847   53.247   23.968   53.247   23.968 0.000000 0.000000 
1 1 1  -27    0   37 o  157.637   7.0915   68.222   8.4636   68.222   8.4636   68.222   8.4636  157.637   10.029  157.637   10.029 0.000000 0.000000 
1 1 1  -27    0   38 o   24.445   11.864  -4.8000   7.1573  -4.8000   7.1573  -4.8000   7.1573   24.445   16.779   24.445   16.779 0.000000 0.000000 
1 1 1  -27    0   39 o   27.410   12.879  -1.9015   7.2012  -1.9015   7.2012  -1.9015   7.2012   27.410   18.214   27.410   18.214 0.000000 0.000000 
1 1 1  -27    0   40 o   86.580   13.062   23.084   7.5936   23.084   7.5936   23.084   7.5936   86.580   18.473   86.580   18.473 0.000000 0.000000 
1 1 1  -27    0   41 o  264.245   5.6817  189.887   11.449  189.887   11.449  189.887   11.449  264.245   8.0352  264.245   8.0352 0.000000 0.000000 
1 1 1  -27    0   42 o  168.355   6.7062   77.756   8.5652   77.756   8.5652   77.756   8.5652  168.355   9.4839  168.355   9.4839 0.000000 0.000000 
1 1 1  -27    0   43 o  209.673   6.0425  119.979   9.6455  119.979   9.6455  119.979   9.6455  209.673   8.5454  209.673   8.5454 0.000000 0.000000 
1 1 1  -27    0   44 o   38.204   15.307   5.4730   6.8994   5.4730   6.8994   5.4730   6.8994   38.204   21.647   38.204   21.647 0.000000 0.000000 
1 1 1  -27    0   45 o   41.072   16.003   6.7052   7.2889   6.7052   7.2889   6.7052   7.2889   41.072   22.632   41.072   22.632 0.000000 0.000000 
1 1 1  -27    0   46 o   47.785   16.642   9.5287   7.2625   9.5287   7.2625   9.5287   7.2625   47.785   23.535   47.785   23.535 0.000000 0.000000 
1 1 1  -27    0   47 o  216.894   6.0391  128.638   9.9744  128.638   9.9744  128.638   9.9744  216.894   8.5405  216.894   8.5405 0.000000 0.000000 
1 1 1  -27    0   48 o   33.956   14.829   2.8244   7.5695   2.8244   7.5695   2.8244   7.5695   33.956   20.972   33.956   20.972 0.000000 0.000000 
1 1 1  -27    0   49 o  308.467   5.9350  259.771   13.967  259.771   13.967  259.771   13.967  308.467   8.3934  308.467   8.3934 0.000000 0.000000 
1 1 1  -27    0   50 o   38.151   15.665   5.4097   7.4896   5.4097   7.4896   5.4097   7.4896   38.151   22.154   38.151   22.154 0.000000 0.000000 
1 1 1  -27    0   51 o   61.315   17.643   15.021   8.1160   15.021   8.1160   15.021   8.1160   61.315   24.951   61.315   24.951 0.000000 0.000000 
1 1 1  -27    0   52 o   56.320   17.552   13.190   7.9259   13.190   7.9259   13.190   7.9259   56.320   24.822   56.320   24.822 0.000000 0.000000 
1 1 1  -27    0   53 o  163.809   7.6411   74.714   9.4698   74.714   9.4698   74.714   9.4698  163.809   10.806  163.809   10.806 0.000000 0.000000 
1 1 1  -27    0   54 o   76.194   16.054   20.410   8.1374   20.410   8.1374   20.410   8.1374   76.194   22.704   76.194   22.704 0.000000 0.000000 
1 1 1  -27    0   55 o   52.947   18.002   12.359   8.4238   12.359   8.4238   12.359   8.4238   52.947   25.458   52.947   25.458 0.000000 0.000000 
1 1 1  -27    0   56 o   30.749   14.237   0.1756   8.3073   0.1756   8.3073   0.1756   8.3073   30.749   20.134   30.749   20.134 0.000000 0.000000 
1 1 1  -27    0   59 o   43.703   17.475   9.2735   8.9694   9.2735   8.9694   9.2735   8.9694   43.703   24.714   43.703   24.714 0.000000 0.000000 
1 1 1  -27    0   60 o   30.670   14.546  -1.3287   9.5667  -1.3287   9.5667  -1.3287   9.5667   30.670   20.572   30.670   20.572 0.000000 0.000000 
1 1 1  -27    0   61 o  113.496   12.056   40.365   9.7608   40.365   9.7608   40.365   9.7608  113.496   17.050  113.496   17.050 0.000000 0.000000 
1 1 1  -27    1    1 o  625.374   11.292  1060.23   38.158  1054.50   53.891  1065.99   54.036  623.677   15.991  627.070   15.947 -3.393311 22.58355 
1 1 1  -27    1    2 o  288.296   5.2252  224.683   8.1392  220.103   11.433  229.390   11.590  285.316   7.4156  291.275   7.3635 -5.958740 10.45043 
1 1 1  -27    1    3 f  222.730   7.5089  134.133   9.0374   0.0000   0.0000  134.133   9.0374  ?   ?   222.730   7.5089      ?      ? 
1 1 1  -27    1    4 o  233.931   5.3100  147.702   6.7056  139.256   9.2790  156.935   9.7014  226.942   7.5666  240.920   7.4520 -13.97818 10.62007 
1 1 1  -27    1    5 o  540.883   7.1109  791.427   20.782  786.213   29.193  796.783   29.592  539.080   10.022  542.687   10.091 -3.606812 14.22185 
1 1 1  -27    1    6 o  188.368   6.8302   93.778   6.5673   89.564   7.9781  102.635   11.566  181.990   8.1127  194.747   10.991 -12.75641 13.66050 
1 1 1  -27    1    7 o  254.097   6.7980  170.825   8.6456  184.775   15.776  164.837   10.336  261.293   11.173  246.901   7.7472 14.39215 13.59605 
1 1 1  -27    1    8 o  343.488   7.8132  319.038   14.502   0.0000   0.0000  319.038   14.502  ?   ?   343.488   7.8132      ?      ? 
1 1 1  -27    1    9 o  447.891   7.7618  534.029   17.416  519.867   20.877  566.441   31.584  438.416   8.8125  457.366   12.780 -18.94955 15.52358 
1 1 1  -27    1   10 o  502.374   8.2760  686.089   21.314  692.528   26.340  673.874   36.277  505.956   9.6341  498.792   13.459 7.163788 16.55197 
1 1 1  -27    1   11 o  405.987   5.9769  445.767   13.112  446.015   18.614  445.522   18.473  406.098   8.4824  405.876   8.4228 0.2216797 11.95385 
1 1 1  -27    1   12 o  517.883   6.9374  725.402   19.410  734.664   27.787  716.576   27.125  521.106   9.8681  514.659   9.7534 6.446960 13.87475 
1 1 1  -27    1   13 f  374.445   5.7942  378.880   11.719  388.904   16.882  369.559   16.279  379.219   8.2385  369.671   8.1496 9.548126 11.58834 
1 1 1  -27    1   14 o   54.211   19.645   6.5649   7.4118   0.0000   0.0000   6.5649   7.4118  ?   ?    54.211   19.645      ?      ? 
1 1 1  -27    1   15 o  433.207   6.2460  507.619   14.621  509.699   20.757  505.570   20.598  434.087   8.8492  432.327   8.8171 1.759918 12.49201 
1 1 1  -27    1   16 o  104.578   9.9157   29.802   5.5583   25.484   7.8644   34.112   7.8569   96.944   15.013  112.212   12.958 -15.26843 19.83131 
1 1 1  -27    1   17 o  360.679   5.7623  351.802   11.229  357.923   16.026  345.897   15.739  363.760   8.1531  357.597   8.1452 6.163025 11.52464 
1 1 1  -27    1   18 o  837.672   10.318  1903.14   46.702  1897.43   65.872  1908.91   66.223  836.413   14.574  838.931   14.608 -2.517456 20.63513 
1 1 1  -27    1   19 o  392.640   5.9513  417.083   12.626  412.725   17.870  421.427   17.842  390.589   8.4670  394.692   8.3657 -4.102448 11.90270 
1 1 1  -27    1   20 o  254.844   5.7274  175.605   7.8824  167.226   11.030  184.351   11.269  248.630   8.2095  261.059   7.9885 -12.42896 11.45477 
1 1 1  -27    1   21 o  214.538   8.6374  124.541   10.013   0.0000   0.0000  124.541   10.013  ?   ?   214.538   8.6374      ?      ? 
1 1 1  -27    1   22 o   81.215   12.875   18.845   5.9225   8.1543   8.4836   29.009   8.2717   59.070   21.064  103.361   14.810 -44.29144 25.74953 
1 1 1  -27    1   23 o  607.334   7.8896  999.711   25.892  996.847   36.551  1002.59   36.683  606.462   11.153  608.207   11.162 -1.744446 15.77917 
1 1 1  -27    1   24 o  570.738   7.5380  882.643   23.246  874.118   32.642  891.416   33.112  567.946   10.636  573.530   10.684 -5.584290 15.07590 
1 1 1  -27    1   25 o  306.367   5.7185  253.706   9.4596  240.763   13.125  267.697   13.646  298.243   8.1441  314.491   8.0298 -16.24774 11.43693 
1 1 1  -27    1   26 o  269.670   5.6509  196.832   8.2338  200.493   11.697  193.236   11.592  272.159   7.9537  267.182   8.0291 4.976135 11.30173 
1 1 1  -27    1   27 o  340.828   5.8232  314.286   10.720  304.358   14.926  324.865   15.407  335.273   8.2389  346.384   8.2315 -11.11127 11.64631 
1 1 1  -27    1   28 o  280.964   5.6805  213.495   8.6167  207.423   11.885  220.224   12.511  276.765   7.9469  285.163   8.1190 -8.397888 11.36098 
1 1 1  -27    1   29 o  452.691   9.3557  557.306   22.873  563.739   32.990  551.351   31.740  455.163   13.413  450.220   13.046 4.942657 18.71139 
1 1 1  -27    1   32 o  167.268   6.9137   75.801   6.2378   73.394   8.5217   78.579   9.1556  164.429   9.5909  170.107   9.9604 -5.677841 13.82731 
1 1 1  -27    1   33 o  244.209   5.6789  161.735   7.4938  163.062   10.645  160.432   10.552  245.202   8.0339  243.216   8.0285 1.985611 11.35786 
1 1 1  -27    1   34 o  156.013   6.9777   66.210   5.8729   70.979   8.3463   61.534   8.2654  161.610   9.5574  150.416   10.169 11.19376 13.95549 
1 1 1  -27    1   35 f  201.993   6.1534  110.656   6.6934   98.541   9.2908  123.729   9.6511  190.473   9.0268  213.512   8.3651 -23.03862 12.30677 
1 1 1  -27    1   36 o  280.886   5.6527  214.128   8.5790  218.197   12.186  210.131   12.080  283.538   7.9538  278.235   8.0344 5.302826 11.30546 
1 1 1  -27    1   37 o  127.756   8.3718   44.764   5.7564   47.042   7.9335   42.232   8.3652  131.278   11.184  124.234   12.461 7.043991 16.74360 
1 1 1  -27    1   38 o  293.526   5.6173  234.044   8.9071  226.487   12.477  241.899   12.720  288.683   7.9982  298.368   7.8895 -9.684479 11.23451 
1 1 1  -27    1   39 o   59.895   13.836   9.5756   5.2407   6.8963   7.3367   12.367   7.4887   53.904   19.543   65.885   19.592 -11.98142 27.67279 
1 1 1  -27    1   40 o   95.880   10.572   25.951   5.2943   29.609   7.4245   22.166   7.5515  103.742   13.244   88.018   16.483 15.72451 21.14473 
1 1 1  -27    1   41 o  333.121   5.7491  302.094   10.348  306.198   14.766  298.134   14.506  335.338   8.1485  330.905   8.1123 4.433502 11.49818 
1 1 1  -27    1   42 o  115.036   8.8578   36.650   5.4681   31.758   7.7262   41.560   7.7401  107.154   13.343  122.918   11.653 -15.76402 17.71557 
1 1 1  -27    1   43 o   73.183   12.581   15.613   5.1515   8.8974   7.1743   22.761   7.4016   57.396   19.434   88.970   15.983 -31.57383 25.16193 
1 1 1  -27    1   44 o  201.486   6.0561  110.797   6.5900  115.355   9.5015  106.572   9.1480  205.477   8.5574  197.496   8.5720 7.981873 12.11228 
1 1 1  -27    1   45 o  248.712   5.7003  168.907   7.6567  165.598   10.617  172.492   11.052  246.204   7.9806  251.220   8.1414 -5.016434 11.40053 
1 1 1  -27    1   46 o  191.100   6.3962   99.945   6.5950   92.748   9.1032  107.895   9.5676  183.838   9.1637  198.361   8.9261 -14.52274 12.79247 
1 1 1  -27    1   47 o   67.691   13.883   13.899   5.4152   11.409   8.3655   15.694   7.1045   62.954   20.986   72.429   18.180 -9.474361 27.76541 
1 1 1  -27    1   48 o  125.897   8.5726   44.321   5.8163   45.995   8.0438   42.485   8.4201  128.570   11.578  123.223   12.646 5.347153 17.14521 
1 1 1  -27    1   49 o  104.676   10.711   32.045   5.5631   19.648   7.6412   46.027   8.1148   80.882   17.952  128.470   11.689 -47.58736 21.42213 
1 1 1  -27    1   50 o   97.590   11.212   27.952   5.7184   25.191   8.3537   30.386   7.8443   91.753   17.487  103.428   14.035 -11.67562 22.42327 
1 1 1  -27    1   51 f  100.788   10.846   29.332   5.8885   27.051   8.3747   31.562   8.2812   96.609   16.042  104.967   14.600 -8.358574 21.69129 
1 1 1  -27    1   52 o  109.846   9.7086   34.435   5.7587   36.131   8.1998   32.785   8.0893  112.622   13.474  107.069   13.982 5.553551 19.41730 
1 1 1  -27    1   53 o  105.826   10.615   32.351   6.0629   30.324   8.4964   34.453   8.6541  102.283   15.372  109.368   14.643 -7.084969 21.23070 
1 1 1  -27    1   54 o  111.979   9.8531   36.213   5.9558   37.235   8.3257   35.142   8.5234  113.798   13.539  110.161   14.318 3.637047 19.70610 
1 1 1  -27    1   55 o   66.553   12.299   12.443   5.9456   26.829   8.1752  -3.7087   8.6625   93.796   16.744   39.310   18.019 54.48598 24.59768 
1 1 1  -27    1   56 o   30.357   10.551 -15.8315   6.0686 -22.2929   8.6816  -9.6573   8.4864   27.202   13.643   33.512   16.099 -6.309303 21.10224 
1 1 1  -27    1   59 o   36.696   12.304  -6.1644   6.5598  -4.7036   9.1346  -7.7199   9.4263   37.533   17.639   35.860   17.157 1.673431 24.60749 
1 1 1  -27    1   60 o   95.445   13.159   30.379   6.5903   37.314   9.2419   23.204   9.4004  109.908   15.561   80.982   21.224 28.92601 26.31776 
1 1 1  -27    1   61 o   84.921   14.706   26.459   6.6906   26.517   9.2489   26.395   9.6905   85.623   20.299   84.218   21.284 1.404907 29.41190 
1 1 1  -27    2    1 o  223.516   7.8097  133.548   9.3727  151.239   14.252  120.068   12.441  236.395   11.157  210.637   10.931 25.75824 15.61946 
1 1 1  -27    2    2 o  213.007   6.7540  122.608   7.3871  122.323   9.1175  123.153   12.603  212.687   7.9332  213.327   10.933 -0.6401062 13.50799 
1 1 1  -27    2    3 o  847.753   10.392  1947.27   47.605  1934.56   66.985  1960.23   67.666  844.962   14.671  850.543   14.723 -5.580872 20.78441 
1 1 1  -27    2    4 o  338.480   5.5036  309.676   10.063  314.005   14.464  305.615   14.008  340.769   7.8549  336.190   7.7110 4.578583 11.00719 
1 1 1  -27    2    5 o  830.179   12.476  1875.55   53.074  1888.00   65.522  1851.80   90.508  834.753   14.526  825.604   20.287 9.149292 24.95162 
1 1 1  -27    2    6 o  343.788   5.5560  319.504   10.318  323.206   14.805  316.005   14.389  345.722   7.9247  341.854   7.7896 3.868073 11.11207 
1 1 1  -27    2    7 o  565.110   8.9964  867.599   25.972  855.856   44.571  873.636   31.958  562.000   14.677  568.220   10.408 -6.220642 17.99272 
1 1 1  -27    2    8 o  307.542   6.8772  258.404   10.529  249.324   18.871  262.507   12.687  303.501   11.507  311.582   7.5351 -8.081421 13.75442 
1 1 1  -27    2    9 o  873.136   13.159  2061.64   58.142  2092.34  102.355  2047.02   70.647  877.199   21.594  869.074   15.043 8.125610 26.31702 
1 1 1  -27    2   10 o  467.500   8.0113  582.792   18.772  568.694   22.523  614.865   33.971  458.525   9.0904  476.476   13.194 -17.95053 16.02258 
1 1 1  -27    2   11 o  216.819   7.0354  128.902   7.7469  132.402   9.5274  122.072   13.308  221.274   7.9682  212.363   11.597 8.910477 14.07087 
1 1 1  -27    2   12 o  273.870   5.5767  202.438   8.2451  192.650   11.379  213.257   11.963  266.914   7.8897  280.826   7.8836 -13.91275 11.15340 
1 1 1  -27    2   14 o  416.438   6.1189  468.973   13.768  462.079   19.320  476.086   19.625  413.329   8.6503  419.547   8.6567 -6.217651 12.23787 
1 1 1  -27    2   15 o  488.460   6.6949  645.520   17.671  643.638   24.961  647.411   25.020  487.746   9.4707  489.174   9.4653 -1.427795 13.38979 
1 1 1  -27    2   16 f  545.217   7.2384  804.531   21.325  800.777   30.065  808.333   30.253  543.937   10.229  546.496   10.245 -2.558655 14.47688 
1 1 1  -27    2   17 o  593.369   7.7128  953.194   24.728  960.665   35.227  945.936   34.721  595.657   10.944  591.081   10.871 4.575684 15.42563 
1 1 1  -27    2   18 o  492.666   6.7660  656.839   18.012  651.957   25.346  661.819   25.600  490.818   9.5567  494.514   9.5803 -3.696198 13.53196 
1 1 1  -27    2   19 o  313.902   5.6449  266.535   9.5747  267.285   13.505  265.776   13.576  314.348   7.9506  313.457   8.0154 0.8915100 11.28970 
1 1 1  -27    2   20 o  306.127   5.6959  252.981   9.4113  237.553   12.999  269.979   13.644  296.335   8.1177  315.919   7.9924 -19.58405 11.39184 
1 1 1  -27    2   21 o  330.766   5.7788  295.652   10.323  308.301   14.893  283.956   14.320  337.568   8.1646  323.965   8.1803 13.60287 11.55760 
1 1 1  -27    2   22 o  371.866   5.9159  374.228   11.887  368.868   16.766  379.645   16.856  369.186   8.4040  374.546   8.3285 -5.359558 11.83184 
1 1 1  -27    2   23 o  286.044   5.7050  221.416   8.8151  220.675   12.294  222.199   12.646  285.558   7.9673  286.530   8.1677 -0.9720764 11.41008 
1 1 1  -27    2   24 o  536.444   7.2070  779.183   20.883  762.949   29.043  796.562   30.050  530.671   10.128  542.216   10.256 -11.54492 14.41409 
1 1 1  -27    2   25 o  357.266   5.8668  345.522   11.325  345.289   16.102  345.750   15.932  357.143   8.3436  357.389   8.2499 -0.2461548 11.73351 
1 1 1  -27    2   26 o  396.420   6.0292  425.352   12.913  417.589   18.051  433.490   18.480  392.718   8.5061  400.121   8.5471 -7.403046 12.05842 
1 1 1  -27    2   27 o  236.925   5.9007  151.983   7.5536  150.605   10.586  153.412   10.781  235.833   8.3070  238.016   8.3827 -2.183029 11.80149 
1 1 1  -27    2   28 o  621.342   8.0743  1046.84   27.087  1076.68   39.294  1019.82   37.391  629.734   11.547  612.949   11.289 16.78546 16.14866 
1 1 1  -27    2   29 o  473.981   9.5868  610.060   24.508  634.234   36.005  589.189   33.455  482.645   13.805  465.317   13.305 17.32840 19.17357 
1 1 1  -27    2   31 o  327.415   11.488  291.441   20.325   0.0000   0.0000  291.441   20.325  ?   ?   327.415   11.488      ?      ? 
1 1 1  -27    2   32 o  298.154   5.6826  240.765   9.1508  248.733   13.195  233.381   12.702  302.899   8.0615  293.409   8.0113 9.489929 11.36526 
1 1 1  -27    2   33 o   86.297   12.380   21.221   5.5723   20.634   8.0127   21.771   7.7545   85.020   18.001   87.574   17.000 -2.553658 24.75970 
1 1 1  -27    2   34 o  424.240   6.2543  488.009   14.323  503.836   20.836  473.829   19.722  430.727   8.9519  417.754   8.7365 12.97229 12.50856 
1 1 1  -27    2   35 o  218.842   6.0256  130.060   7.1182  131.154   9.8698  128.874   10.276  219.827   8.3088  217.857   8.7289 1.970184 12.05118 
1 1 1  -27    2   36 o  324.229   5.7266  285.309   10.028  287.929   14.444  282.871   13.933  325.644   8.2083  322.814   7.9875 2.830688 11.45322 
1 1 1  -27    2   37 o   72.409   13.325   15.219   5.4817   20.696   7.6129   9.3213   7.8997   85.038   17.159   59.780   20.392 25.25789 26.65069 
1 1 1  -27    2   38 o  367.194   5.8844  366.473   11.673  375.486   16.712  357.886   16.312  371.601   8.3229  362.788   8.3207 8.813263 11.76884 
1 1 1  -27    2   39 o  192.020   6.2100  100.363   6.4423  103.162   9.1621   97.626   9.0604  194.679   8.7094  189.360   8.8546 5.319427 12.42006 
1 1 1  -27    2   40 o  373.112   5.9831  378.961   12.063  374.924   17.019  383.034   17.099  371.107   8.4870  375.116   8.4356 -4.009216 11.96616 
1 1 1  -27    2   41 o  259.881   5.7091  183.716   8.0131  176.659   11.134  191.298   11.541  254.705   8.0899  265.056   8.0578 -10.35124 11.41818 
1 1 1  -27    2   42 o  239.264   5.6609  156.014   7.3171  155.623   10.459  156.389   10.240  238.946   8.1004  239.582   7.9099 -0.6361694 11.32175 
1 1 1  -27    2   43 o  104.501   13.489   30.273   7.6174   30.273   7.6174   0.0000   0.0000  104.501   13.489  ?   ?       ?      ? 
1 1 1  -27    2   44 o  180.019   6.4924   88.708   6.3130   85.451   8.8921   92.018   8.9640  176.652   9.3153  183.385   9.0459 -6.732376 12.98475 
1 1 1  -27    2   45 o  106.687   9.3070   31.977   5.3080   27.294   7.6135   36.405   7.4042   98.741   14.269  114.634   11.953 -15.89301 18.61407 
1 1 1  -27    2   46 o   60.552   11.983   9.0312   5.0393   19.843   7.1808  -1.4610   7.0738   82.245   16.727   38.860   17.164 43.38517 23.96695 
1 1 1  -27    2   47 o  208.932   6.2204  119.705   7.0099  117.472   9.5907  122.267   10.271  206.924   8.5773  210.939   9.0113 -4.014694 12.44076 
1 1 1  -27    2   48 o   87.494   12.066   22.333   5.5833   26.239   8.0883   18.778   7.7169   95.978   15.595   79.010   18.415 16.96826 24.13153 
1 1 1  -27    2   49 o   81.840   12.761   20.220   5.5050   17.361   7.8180   23.031   7.7528   75.529   19.133   88.151   16.891 -12.62205 25.52227 
1 1 1  -27    2   50 o   47.230   13.215   3.2770   5.3602   8.2648   7.3940  -2.2479   7.7819   55.066   19.662   39.393   17.662 15.67289 26.43011 
1 1 1  -27    2   51 o  144.704   7.6769   58.499   5.9995   56.447   8.4959   60.541   8.4734  142.080   11.066  147.328   10.644 -5.248077 15.35379 
1 1 1  -27    2   52 o   37.247   12.110  -4.4359   5.5683  -3.1791   8.2362  -5.4940   7.5571   39.318   17.848   35.177   16.371 4.141083 24.21943 
1 1 1  -27    2   53 o   43.305   12.987  -0.8150   5.7357  -8.0009   8.0667   6.5326   8.1569   34.323   16.265   52.288   20.250 -17.96487 25.97353 
1 1 1  -27    2   54 o   68.981   13.215   14.497   5.6732   23.994   8.0927   5.3194   7.9552   88.405   17.560   49.557   19.753 38.84880 26.42959 
1 1 1  -27    2   55 o  136.084   8.7719   52.883   6.4213   46.455   8.8623   59.987   9.3170  127.085   12.905  145.083   11.884 -17.99786 17.54370 
1 1 1  -27    2   56 o   53.847   15.318   7.2971   6.8308   7.3834   9.7918   7.2152   9.5338   54.112   21.794   53.582   21.532 0.5301170 30.63667 
1 1 1  -27    2   59 o  107.499   12.406   37.857   6.9467   31.694   9.7586   44.188   9.8909   96.100   19.459  118.898   15.395 -22.79799 24.81268 
1 1 1  -27    2   60 o  136.422   9.9576   56.359   7.3288   56.948   10.133   55.714   10.612  137.638   13.625  135.207   14.525 2.430756 19.91513 
1 1 1  -27    2   61 o   66.454   15.614   16.908   6.7283   22.281   9.8341   12.180   9.2256   75.526   22.450   57.381   21.706 18.14513 31.22755 
1 1 1  -27    3    1 o  290.360   7.7857  227.674   12.169  233.559   18.118  222.838   16.424  293.753   11.414  286.967   10.592 6.785553 15.57131 
1 1 1  -27    3    2 o  841.391   14.673  1923.91   66.707  1929.95   94.954  1918.02   93.734  842.672   20.853  840.111   20.648 2.561523 29.34571 
1 1 1  -27    3    3 o  277.702   7.3926  208.516   11.093   0.0000   0.0000  208.516   11.093  ?   ?   277.702   7.3926      ?      ? 
1 1 1  -27    3    4 o  318.242   6.5991  273.123   10.846  271.136   13.461  276.802   18.315  316.651   7.8669  319.833   10.597 -3.181519 13.19818 
1 1 1  -27    3    5 o  138.867   8.4092   51.805   6.1300   50.580   7.7512   53.851   10.016  136.721   10.492  141.012   13.145 -4.291534 16.81846 
1 1 1  -27    3    6 o  459.513   7.8426  559.638   17.926  601.576   33.031  542.131   21.342  471.320   12.969  447.705   8.8217 23.61569 15.68529 
1 1 1  -27    3    7 o  555.457   7.3118  834.325   21.929  846.782   31.747  822.960   30.326  559.407   10.502  551.507   10.176 7.899292 14.62360 
1 1 1  -27    3    8 o  701.340   8.8142  1331.43   33.394  1346.71   47.914  1317.00   46.568  705.237   12.573  697.442   12.356 7.794922 17.62844 
1 1 1  -27    3    9 o  437.858   7.7714  510.122   16.874  540.766   31.164  497.411   20.071  446.867   12.906  428.849   8.6612 18.01791 15.54289 
1 1 1  -27    3   10 o  535.508   7.1240  774.633   20.589  799.870   30.031  752.248   28.284  543.714   10.221  527.302   9.9263 16.41235 14.24805 
1 1 1  -27    3   11 o  494.376   8.2629  659.002   20.752  654.069   25.300  669.144   36.277  491.715   9.5219  497.037   13.507 -5.322571 16.52573 
1 1 1  -27    3   12 o  596.262   7.7293  962.084   24.903  953.250   35.019  971.122   35.420  593.494   10.920  599.029   10.942 -5.535706 15.45865 
1 1 1  -27    3   13 o  245.351   5.6606  162.793   7.5046  163.290   10.593  162.292   10.634  245.728   7.9774  244.974   8.0330 0.7535553 11.32112 
1 1 1  -27    3   14 o  418.937   6.1327  474.274   13.876  460.461   19.250  489.214   20.020  412.595   8.6340  425.278   8.7117 -12.68292 12.26539 
1 1 1  -27    3   15 o  550.324   7.2954  819.569   21.693  810.067   30.449  829.363   30.913  547.087   10.300  553.561   10.335 -6.474487 14.59083 
1 1 1  -27    3   16 o  201.001   6.2444  109.170   6.7773  103.685   9.4122  115.075   9.7668  195.762   8.8976  206.239   8.7638 -10.47685 12.48882 
1 1 1  -27    3   17 o  801.108   9.9237  1740.12   42.959  1735.10   60.619  1745.19   60.887  799.949   14.024  802.266   14.045 -2.316833 19.84748 
1 1 1  -27    3   18 o  376.044   5.9071  382.493   12.002  377.113   16.862  388.018   17.088  373.364   8.3577  378.724   8.3500 -5.360382 11.81411 
1 1 1  -27    3   19 o  567.291   7.4721  871.050   22.902  858.210   32.052  884.445   32.736  563.024   10.535  571.558   10.599 -8.533508 14.94420 
1 1 1  -27    3   20 o  190.555   6.4456   98.265   6.6362   96.175   9.3570  100.379   9.4132  188.514   9.1856  192.595   9.0449 -4.080521 12.89129 
1 1 1  -27    3   21 o  417.086   6.2057  470.772   13.986  474.579   19.908  467.061   19.652  418.750   8.7981  415.423   8.7544 3.326660 12.41149 
1 1 1  -27    3   22 o  187.790   6.3542   95.314   6.4367   87.669   8.9242  103.603   9.2927  179.946   9.1777  195.633   8.7905 -15.68675 12.70840 
1 1 1  -27    3   23 f  152.673   7.6247   63.520   6.2530   69.976   8.7266   56.708   8.9644  160.721   10.048  144.625   11.471 16.09563 15.24930 
1 1 1  -27    3   24 o   78.658   13.364   17.442   5.6389   20.918   8.1929   14.314   7.7730   86.009   18.196   71.307   19.577 14.70205 26.72732 
1 1 1  -27    3   25 o  453.714   6.4987  557.472   15.932  551.292   22.409  563.789   22.657  451.171   9.1915  456.256   9.1896 -5.084930 12.99740 
1 1 1  -27    3   26 o  112.867   9.6931   34.642   5.9053   32.818   8.3580   36.460   8.3449  109.881   14.076  115.854   13.330 -5.973083 19.38628 
1 1 1  -27    3   27 o  318.881   5.7629  275.349   9.9288  269.267   13.999  281.505   14.085  315.332   8.2154  322.430   8.0839 -7.097870 11.52574 
1 1 1  -27    3   28 o  294.855   6.9967  234.033   10.621  230.164   13.104  241.441   18.132  291.489   8.3191  298.221   11.252 -6.732269 13.99340 
1 1 1  -27    3   29 o  161.764   15.399   71.396   13.460   0.0000   0.0000   71.396   13.460  ?   ?   161.764   15.399      ?      ? 
1 1 1  -27    3   31 f  381.689   8.5231  394.806   17.521  415.315   26.078  377.928   23.657  390.621   12.355  372.756   11.745 17.86459 17.04611 
1 1 1  -27    3   32 o  104.562   10.225   30.059   5.7188   31.367   7.6692   28.422   8.5827  107.235   13.235  101.890   15.589 5.345596 20.44925 
1 1 1  -27    3   33 o  149.999   7.3404   61.226   5.9367   66.521   8.4623   56.094   8.3307  156.424   10.011  143.575   10.738 12.84924 14.68088 
1 1 1  -27    3   34 o  223.411   6.0373  135.467   7.2868  131.597   10.245  139.428   10.366  220.174   8.6114  226.649   8.4639 -6.475052 12.07450 
1 1 1  -27    3   35 o  315.814   5.7580  270.335   9.8200  260.661   13.598  280.880   14.196  309.921   8.1196  321.708   8.1664 -11.78745 11.51601 
1 1 1  -27    3   36 o  114.592   8.9573   35.910   5.5460   35.265   7.8214   36.561   7.8653  113.550   12.747  115.635   12.587 -2.084801 17.91458 
1 1 1  -27    3   37 o  152.133   7.1090   63.094   5.8426   64.547   8.2445   61.628   8.2809  153.912   9.9130  150.355   10.192 3.556427 14.21796 
1 1 1  -27    3   38 o  363.697   5.8974  359.608   11.588  352.428   16.216  367.100   16.566  359.989   8.3363  367.404   8.3441 -7.414551 11.79486 
1 1 1  -27    3   39 o  252.188   5.7051  172.494   7.7643  163.297   10.663  182.875   11.328  245.054   8.0522  259.322   8.0843 -14.26759 11.41029 
1 1 1  -27    3   40 o  323.515   5.7378  284.596   10.027  275.873   13.976  293.851   14.395  318.407   8.1227  328.622   8.1063 -10.21558 11.47567 
1 1 1  -27    3   41 o  274.134   5.6297  204.692   8.3373  201.509   11.863  207.798   11.720  271.998   8.0713  276.270   7.8504 -4.272095 11.25943 
1 1 1  -27    3   42 o  147.602   7.5577   59.781   6.0255   59.743   8.6446   59.817   8.4032  147.523   10.844  147.681   10.530 -0.1579132 15.11544 
1 1 1  -27    3   43 o  144.844   11.164   57.708   8.7381   57.708   8.7381   0.0000   0.0000  144.844   11.164  ?   ?       ?      ? 
1 1 1  -27    3   44 o  279.962   5.7131  213.742   8.6373  220.271   12.493  207.764   11.955  284.032   8.1397  275.892   8.0190 8.139221 11.42623 
1 1 1  -27    3   45 o   80.333   12.492   19.017   5.2833   16.525   7.3347   21.703   7.6166   74.569   18.332   86.096   16.975 -11.52632 24.98407 
1 1 1  -27    3   46 f   42.767   12.771   1.0438   5.1152  -0.9819   7.4936   2.8111   6.9996   40.625   17.815   44.909   18.303 -4.283600 25.54157 
1 1 1  -27    3   47 f   42.389   12.717   0.6932   5.1549  -2.0531   7.4270   3.2460   7.1606   38.963   17.377   45.816   18.572 -6.852982 25.43427 
1 1 1  -27    3   48 o  201.612   6.3851  111.622   6.9495  116.890   10.098  106.883   9.5784  206.107   9.0670  197.117   8.9926 8.990677 12.77018 
1 1 1  -27    3   49 o  151.124   7.8704   64.201   6.3538   72.728   8.8147   54.979   9.1670  162.079   10.064  140.170   12.103 21.90919 15.74072 
1 1 1  -27    3   50 o  160.166   7.6702   71.448   6.6323   67.327   9.2765   75.758   9.4859  155.352   11.050  164.981   10.640 -9.629517 15.34044 
1 1 1  -27    3   51 o   50.933   13.680   5.2440   5.5171   10.564   7.8953   0.1669   7.7127   59.882   20.386   41.985   18.248 17.89747 27.36069 
1 1 1  -27    3   52 o  156.822   7.7189   68.819   6.5326   73.234   9.2888   64.498   9.1889  161.946   10.614  151.697   11.210 10.24924 15.43784 
1 1 1  -27    3   53 o  144.465   8.2819   58.479   6.4151   69.406   9.4624   49.186   8.7268  157.161   11.142  131.770   12.256 25.39078 16.56372 
1 1 1  -27    3   54 o   88.462   13.029   24.496   6.1051   28.605   8.3199   19.703   8.9864   98.763   15.590   78.161   20.880 20.60233 26.05814 
1 1 1  -27    3   55 o   44.743   13.443   2.2685   5.7013   0.6979   8.1256   3.7915   8.0015   42.746   18.652   46.740   19.364 -3.993919 26.88605 
1 1 1  -27    3   56 o   56.671   17.261   4.2781   9.8242   12.748   14.470  -2.9640   13.381   64.832   26.358   48.510   22.295 16.32215 34.52232 
1 1 1  -27    3   59 o   38.385   12.595  -3.8926   6.3552  -7.9817   9.3001  -0.3104   8.7046   35.683   17.065   41.088   18.529 -5.404724 25.18964 
1 1 1  -27    3   60 o   50.581   14.886   6.6746   6.7555   7.9815   9.4307   5.2973   9.6816   52.260   21.266   48.902   20.837 3.357441 29.77281 
1 1 1  -27    4    1 o  997.772   17.253  2705.54   92.860  2610.36  126.883  2815.31  136.266  979.057   23.983  1016.49   24.808 -37.42993 34.50574 
1 1 1  -27    4    2 o  863.000   15.057  2016.43   70.001  1923.42   94.632  2128.83  104.026  841.232   20.818  884.768   21.758 -43.53638 30.11322 
1 1 1  -27    4    3 o  295.766   6.4764  237.937   9.9166  241.308   12.410  231.982   16.494  298.731   7.6879  292.801   10.425 5.929352 12.95281 
1 1 1  -27    4    4 o  616.500   9.6278  1034.13   30.598  1045.17   38.064  1013.96   51.441  621.413   11.336  611.587   15.565 9.825623 19.25567 
1 1 1  -27    4    5 o  1005.57   14.973  2747.72   76.586  2752.25  133.034  2745.47   93.664  1005.14   24.493  1005.99   17.230 -0.8464966 29.94666 
1 1 1  -27    4    6 o  180.818   7.3529   88.943   6.7502   87.072   11.706   89.875   8.2621  179.339   12.080  182.298   8.3873 -2.958633 14.70583 
1 1 1  -27    4    7 o  329.401   5.5792  293.295   9.9161  295.511   14.446  291.320   13.636  330.570   8.0872  328.232   7.6881 2.338226 11.15836 
1 1 1  -27    4    8 o  477.901   6.6068  617.485   17.057  600.294   23.821  635.572   24.435  471.078   9.3581  484.725   9.3288 -13.64645 13.21366 
1 1 1  -27    4    9 o  677.233   8.5832  1241.52   31.405  1249.50   44.910  1233.88   43.932  679.352   12.234  675.114   12.043 4.237793 17.16646 
1 1 1  -27    4   10 o  115.827   12.493   41.496   6.4591   28.063   11.845   47.181   7.7057   99.614   22.532  132.040   10.800 -32.42688 24.98651 
1 1 1  -27    4   11 o  185.634   6.4280   93.297   6.4389   91.386   9.2999   95.057   8.9237  183.799   9.3636  187.468   8.8090 -3.668137 12.85601 
1 1 1  -27    4   12 o  177.064   8.1020   82.263   7.3452   77.196   8.9243   92.905   12.933  168.915   9.7772  185.212   12.922 -16.29686 16.20398 
1 1 1  -27    4   13 o  690.195   8.7168  1288.51   32.477  1322.42   47.219  1258.07   44.740  698.778   12.505  681.612   12.147 17.16583 17.43354 
1 1 1  -27    4   14 o  328.531   5.6401  291.906   10.011  292.700   14.282  291.139   14.038  328.967   8.0344  328.094   7.9178 0.8732605 11.28021 
1 1 1  -27    4   15 o  367.232   5.8743  364.752   11.656  360.326   16.363  369.310   16.608  364.971   8.2970  369.492   8.3179 -4.520905 11.74856 
1 1 1  -27    4   16 o  805.069   9.9796  1757.31   43.412  1743.12   61.019  1771.84   61.776  801.786   14.084  808.353   14.143 -6.567505 19.95918 
1 1 1  -27    4   17 o  597.912   7.7826  967.983   25.144  971.968   35.766  964.090   35.354  599.124   11.048  596.701   10.965 2.423035 15.56526 
1 1 1  -27    4   18 o  158.187   7.6690   68.241   6.4282   52.045   8.9471   85.521   9.2417  138.611   11.945  177.763   9.6211 -39.15244 15.33802 
1 1 1  -27    4   19 o  904.367   11.104  2220.10   54.261  2230.17   77.196  2210.27   76.286  906.378   15.762  902.357   15.645 4.021729 22.20797 
1 1 1  -27    4   20 o  626.304   8.1015  1059.33   27.357  1014.16   37.201  1112.51   40.369  611.846   11.252  640.762   11.659 -28.91516 16.20303 
1 1 1  -27    4   21 o  619.489   8.0227  1039.76   26.852  1023.99   37.552  1056.26   38.411  614.690   11.305  624.287   11.386 -9.596558 16.04550 
1 1 1  -27    4   22 o   81.497   12.819   18.587   5.6997   12.135   7.9887   25.277   8.1346   66.573   20.336   96.421   15.613 -29.84805 25.63771 
1 1 1  -27    4   23 o  212.592   6.2071  121.958   7.1180  129.421   10.450  115.499   9.7217  218.636   8.8456  206.548   8.7103 12.08824 12.41427 
1 1 1  -27    4   24 o  338.499   5.7798  309.898   10.567  301.363   14.682  319.072   15.222  333.669   8.1430  343.328   8.2047 -9.658844 11.55961 
1 1 1  -27    4   25 o  412.009   6.1719  459.466   13.736  467.387   19.728  452.011   19.138  415.448   8.7878  408.569   8.6685 6.878174 12.34372 
1 1 1  -27    4   26 o  108.063   10.173   31.968   5.9003   28.546   8.5057   35.141   8.1917  102.402   15.371  113.723   13.330 -11.32034 20.34634 
1 1 1  -27    4   27 o  575.946   7.6185  899.872   23.707  905.965   33.860  894.013   33.203  577.843   10.844  574.050   10.704 3.793152 15.23694 
1 1 1  -27    4   28 o  343.560   8.1921  320.588   15.204  321.396   21.779  319.820   21.234  343.962   11.718  343.159   11.451 0.8027954 16.38411 
1 1 1  -27    4   29 o  238.690   12.313  154.932   15.882   0.0000   0.0000  154.932   15.882  ?   ?   238.690   12.313      ?      ? 
1 1 1  -27    4   30 o  195.016   13.546  103.626   14.275   0.0000   0.0000  103.626   14.275  ?   ?   195.016   13.546      ?      ? 
1 1 1  -27    4   31 o  329.935   8.0968  293.464   14.361  322.072   21.700  271.171   19.156  344.073   11.672  315.797   11.225 28.27621 16.19367 
1 1 1  -27    4   32 o  278.435   5.7605  209.920   8.6599  219.920   12.550  200.830   11.965  284.754   8.1559  272.117   8.1372 12.63708 11.52097 
1 1 1  -27    4   33 f   54.329   13.851   6.5623   5.3083   3.7429   7.3826   9.5802   7.6380   48.420   19.114   60.239   20.051 -11.81939 27.70173 
1 1 1  -27    4   34 o  195.047   6.4216  103.200   6.7637   99.238   9.3700  107.510   9.7735  191.145   9.0717  198.949   9.0912 -7.804550 12.84311 
1 1 1  -27    4   35 o  282.684   5.6682  216.830   8.6572  214.086   12.128  219.682   12.362  280.864   7.9912  284.503   8.0408 -3.639008 11.33636 
1 1 1  -27    4   36 o  326.509   5.7395  289.219   10.121  300.415   14.608  278.885   14.035  332.576   8.1287  320.442   8.1052 12.13379 11.47909 
1 1 1  -27    4   37 o  293.727   5.6018  234.366   8.8899  237.335   12.702  231.516   12.446  295.544   7.9536  291.911   7.8905 3.633026 11.20358 
1 1 1  -27    4   38 o  245.517   5.8004  163.749   7.6913  170.538   11.073  157.421   10.691  250.433   8.1827  240.601   8.2232 9.831558 11.60075 
1 1 1  -27    4   39 o  174.947   6.7431   83.524   6.3442   73.269   8.8623   94.304   9.0860  163.841   10.010  186.053   9.0376 -22.21143 13.48623 
1 1 1  -27    4   40 o  151.998   7.3494   63.183   6.0358   63.349   8.4811   63.013   8.5918  152.215   10.311  151.781   10.476 0.4336853 14.69887 
1 1 1  -27    4   41 o   74.479   13.338   16.257   5.3888   14.551   7.5937   17.987   7.6485   70.538   19.343   78.420   18.371 -7.881363 26.67684 
1 1 1  -27    4   42 o  167.430   6.6988   76.458   6.0445   84.741   8.7891   69.024   8.3262  176.060   9.2383  158.801   9.7030 17.25922 13.39758 
1 1 1  -27    4   43 o  151.881   10.322   63.310   8.4717   63.310   8.4717   0.0000   0.0000  151.881   10.322  ?   ?       ?      ? 
1 1 1  -27    4   44 o  147.921   7.2796   60.161   5.8177   61.550   8.2445   58.784   8.2105  149.646   10.196  146.196   10.393 3.449860 14.55910 
1 1 1  -27    4   45 o   78.412   12.822   18.275   5.3544   15.075   7.5215   21.563   7.6241   71.080   19.151   85.744   17.055 -14.66401 25.64473 
1 1 1  -27    4   46 o   93.370   11.065   24.879   5.4069   29.988   7.9465   20.475   7.3780  103.321   14.233   83.418   16.946 19.90234 22.13018 
1 1 1  -27    4   47 o  141.380   7.7809   55.475   5.9114   63.120   8.4760   48.236   8.2486  151.071   10.383  131.689   11.592 19.38173 15.56186 
1 1 1  -27    4   48 o  174.394   6.9026   84.072   6.4944   88.288   9.1099   79.715   9.2609  178.973   9.4197  169.814   10.092 9.158783 13.80530 
1 1 1  -27    4   49 o   53.046   13.699   6.0219   5.5881   12.234   7.8568  -0.3380   7.9497   63.881   20.269   42.211   18.434 21.67018 27.39758 
1 1 1  -27    4   50 f  159.232   7.5415   70.624   6.4743   70.645   8.8682   70.601   9.4740  159.420   10.294  159.044   11.024 0.3758240 15.08306 
1 1 1  -27    4   51 o   58.161   13.223   8.7332   5.5299  -0.3571   7.9777   17.140   7.6720   41.922   18.382   74.401   19.012 -32.47911 26.44560 
1 1 1  -27    4   52 o   60.469   14.250   10.766   5.5859   7.5605   7.9425   13.903   7.8575   53.988   20.200   66.951   20.105 -12.96296 28.50001 
1 1 1  -27    4   53 o  131.575   8.9886   49.473   6.3124   40.475   8.8199   58.922   9.0384  118.687   13.752  144.463   11.578 -25.77590 17.97726 
1 1 1  -27    4   54 o   91.177   12.105   25.106   5.8365   22.989   8.1878   27.294   8.3221   86.107   18.168   96.246   16.001 -10.13896 24.21001 
1 1 1  -27    4   55 o  172.871   7.4429   84.597   6.9509   85.053   9.7386   84.125   9.9241  173.445   10.391  172.296   10.659 1.148941 14.88584 
1 1 1  -27    4   56 o   36.816   18.376 -31.2387   14.901 -31.2387   14.901   0.0000   0.0000   36.816   18.376  ?   ?       ?      ? 
1 1 1  -27    4   58 o   66.553   25.966   17.329   13.488   17.329   13.488   0.0000   0.0000   66.553   25.966  ?   ?       ?      ? 
1 1 1  -27    4   59 o  175.401   7.9933   89.342   7.5593   81.954   10.568   97.081   10.817  167.574   11.671  183.229   10.925 -15.65518 15.98664 
1 1 1  -27    4   60 f  124.622   10.416   48.074   6.9991   49.877   10.303   46.529   9.5375  126.394   15.086  122.850   14.367 3.543892 20.83242 
1 1 1  -27    5    1 o  498.676   9.7737  673.730   26.330  669.594   37.617  677.703   36.866  497.158   14.002  500.194   13.639 -3.035248 19.54748 
1 1 1  -27    5    2 o  629.150   16.450  1073.42   55.925  1073.42   55.925   0.0000   0.0000  629.150   16.450  ?   ?       ?      ? 
1 1 1  -27    5    3 o  624.920   9.7930  1050.45   31.052  1036.53   37.764  1079.50   54.564  618.849   11.293  630.992   16.003 -12.14368 19.58602 
1 1 1  -27    5    4 o  559.149   8.9582  840.937   25.296  862.387   44.834  830.919   30.639  564.132   14.707  554.166   10.232 9.966125 17.91645 
1 1 1  -27    5    5 o  224.055   6.7218  132.449   7.6342  145.383   13.642  126.551   9.2117  231.780   10.892  216.331   7.8801 15.44858 13.44367 
1 1 1  -27    5    7 o  519.691   6.9771  730.068   19.576  744.761   28.386  716.743   27.033  524.663   10.013  514.719   9.7194 9.943176 13.95412 
1 1 1  -27    5    9 o  157.042   6.9754   66.848   5.9080   63.848   8.4913   69.664   8.2253  153.611   10.230  160.472   9.4856 -6.860336 13.95076 
1 1 1  -27    5   10 o  652.500   8.3404  1152.11   29.391  1167.42   42.380  1137.93   40.796  656.656   11.944  648.344   11.645 8.312073 16.68077 
1 1 1  -27    5   11 o  463.777   8.1101  585.660   19.046  572.523   33.185  592.113   23.258  459.713   13.359  467.841   9.2000 -8.127563 16.22017 
1 1 1  -27    5   12 o  621.075   9.8666  1035.78   30.959  1018.69   37.472  1072.52   54.951  613.409   11.305  628.740   16.174 -15.33032 19.73319 
1 1 1  -27    5   13 o   49.794   14.681   1.6921   6.3370   3.1416   7.7284  -1.2824   11.071   48.644   19.443   50.944   22.002 -2.300644 29.36216 
1 1 1  -27    5   14 o  509.800   6.9277  703.040   19.075  714.073   27.483  692.784   26.497  513.648   9.9016  505.952   9.6916 7.696106 13.85532 
1 1 1  -27    5   15 o  258.961   5.6861  181.382   7.9556  177.064   11.195  185.788   11.308  255.845   8.0977  262.077   7.9847 -6.231506 11.37223 
1 1 1  -27    5   16 o  510.176   6.9400  703.995   19.121  717.024   27.619  692.003   26.497  514.696   9.9306  505.657   9.6975 9.039246 13.88008 
1 1 1  -27    5   17 o  144.181   8.0571   55.706   6.1956   69.823   9.2514   44.225   8.3428  160.591   10.661  127.770   12.084 32.82122 16.11423 
1 1 1  -27    5   18 o  455.414   6.5205  561.183   16.045  553.085   22.520  569.531   22.866  452.078   9.2186  458.750   9.2243 -6.671570 13.04110 
1 1 1  -27    5   19 o  683.344   8.6877  1264.35   32.055  1233.91   44.294  1297.82   46.449  674.743   12.148  691.945   12.423 -17.20215 17.37542 
1 1 1  -27    5   20 o  396.836   6.1128  426.233   13.107  426.311   18.642  426.157   18.432  396.868   8.6929  396.804   8.5964 0.6414795E-01 12.22555 
1 1 1  -27    5   21 o  288.319   5.8265  225.021   9.0761  222.640   12.909  227.348   12.764  286.806   8.3292  289.833   8.1497 -3.027618 11.65302 
1 1 1  -27    5   22 o  943.757   11.578  2422.18   59.014  2464.63   85.115  2382.88   81.896  951.643   16.552  935.872   16.194 15.77161 23.15614 
1 1 1  -27    5   23 f  274.529   5.8702  204.063   8.6998  192.733   12.245  215.609   12.362  266.820   8.4930  282.237   8.1058 -15.41592 11.74035 
1 1 1  -27    5   24 o   90.500   11.755   22.795   5.5902   26.767   7.9723   18.953   7.8409   99.217   14.870   81.783   18.210 17.43408 23.51019 
1 1 1  -27    5   25 o  209.278   6.2190  118.573   7.0267  111.857   9.8350  125.576   10.043  203.218   8.9562  215.339   8.6306 -12.12021 12.43791 
1 1 1  -27    5   26 o  549.145   7.3495  817.797   21.809  812.481   30.777  823.158   30.908  547.350   10.406  550.940   10.382 -3.589600 14.69908 
1 1 1  -27    5   27 o  301.285   7.0952  243.952   11.046  238.698   13.672  253.829   18.744  296.818   8.5243  305.753   11.345 -8.935150 14.19035 
1 1 1  -27    5   28 o  182.130   9.3026   88.637   9.0721  104.775   13.963   76.847   11.935  196.215   13.169  168.044   13.143 28.17110 18.60530 
1 1 1  -27    5   29 o  248.962   12.560  168.649   16.897   0.0000   0.0000  168.649   16.897  ?   ?   248.962   12.560      ?      ? 
1 1 1  -27    5   30 o  372.506   8.5158  375.424   17.051  397.522   25.726  358.108   22.772  382.137   12.458  362.876   11.613 19.26062 17.03160 
1 1 1  -27    5   31 o  255.023   8.2185  176.880   11.321  182.162   16.284  171.937   15.751  258.702   11.648  251.344   11.597 7.357559 16.43701 
1 1 1  -27    5   32 o  280.229   5.7275  213.211   8.6647  203.678   12.303  222.592   12.205  273.979   8.3102  286.479   7.8841 -12.49994 11.45506 
1 1 1  -27    5   33 o  241.402   5.8568  157.600   7.6266  168.281   11.184  148.315   10.427  249.018   8.3115  233.786   8.2538 15.23164 11.71352 
1 1 1  -27    5   34 o  367.900   5.9123  367.393   11.753  360.796   16.586  374.046   16.655  364.571   8.4193  371.229   8.3027 -6.657745 11.82453 
1 1 1  -27    5   35 o  158.045   7.2282   67.650   6.1565   73.564   9.1097   62.677   8.3526  164.366   10.257  151.725   10.188 12.64114 14.45640 
1 1 1  -27    5   36 o  360.124   5.9205  352.481   11.521  352.683   16.359  352.281   16.227  360.219   8.4045  360.030   8.3410 0.1891479 11.84099 
1 1 1  -27    5   37 o  321.491   5.7380  280.909   9.9661  283.511   14.267  278.429   13.928  322.930   8.1759  320.052   8.0532 2.877655 11.47605 
1 1 1  -27    5   38 o  201.712   5.9760  110.489   6.5073  116.823   9.4374  104.748   8.9848  207.216   8.4283  196.208   8.4743 11.00848 11.95201 
1 1 1  -27    5   39 o   42.474   12.611   0.1453   5.0695  -3.6236   7.1422   3.9720   7.1967   36.912   16.702   48.037   18.901 -11.12427 25.22286 
1 1 1  -27    5   40 o   66.835   13.526   12.668   5.3355   17.607   7.6332   7.9506   7.4607   77.676   18.458   55.994   19.776 21.68230 27.05208 
1 1 1  -27    5   41 o   50.396   13.445   5.4965   5.0292   3.9266   7.4935   6.7833   6.7841   48.367   19.205   52.426   18.822 -4.059406 26.89025 
1 1 1  -27    5   42 o   81.051   12.466   19.195   5.3217   22.885   7.6226   15.687   7.4330   89.069   16.443   73.033   18.741 16.03645 24.93227 
1 1 1  -27    5   43 o  124.959   8.3423   43.159   5.5724   35.389   7.7394   51.524   8.0298  113.059   12.668  136.859   10.858 -23.79993 16.68463 
1 1 1  -27    5   44 o  211.649   5.9965  122.995   6.8320  113.454   9.8085  131.987   9.5218  203.508   8.9194  219.790   8.0172 -16.28259 11.99293 
1 1 1  -27    5   45 f   54.697   13.014   6.7237   5.0320   13.887   7.4083   0.5886   6.8562   68.307   19.247   41.087   17.521 27.22019 26.02758 
1 1 1  -27    5   46 o   68.948   12.793   14.133   5.1151   7.7755   7.2404   20.467   7.2273   54.468   19.456   83.429   16.615 -28.96146 25.58512 
1 1 1  -27    5   47 o  102.253   11.313   30.422   5.9956   36.851   8.5430   24.182   8.4166  114.382   13.822   90.123   17.914 24.25884 22.62610 
1 1 1  -27    5   48 o   46.151   13.489   2.7521   5.4737   2.6716   7.8128   2.8296   7.6711   46.187   19.134   46.114   19.019 0.7259750E-01 26.97878 
1 1 1  -27    5   49 o   56.738   14.267   8.5446   5.5910   11.716   8.1309   5.7006   7.7003   62.786   20.678   50.689   19.663 12.09715 28.53417 
1 1 1  -27    5   50 o   49.919   14.057   4.6543   5.8115   1.6056   8.2844   7.6082   8.1545   45.301   19.288   54.537   20.455 -9.236069 28.11484 
1 1 1  -27    5   51 o   28.666   9.9632 -14.2914   5.3699 -13.4960   7.4832 -15.1359   7.7103   28.822   14.131   28.509   14.049 0.3129063 19.92638 
1 1 1  -27    5   52 o  153.013   7.7580   65.640   6.3968   71.406   9.0779   59.954   9.0153  159.919   10.505  146.108   11.419 13.81119 15.51595 
1 1 1  -27    5   53 o  162.538   7.4022   74.131   6.4968   71.509   9.2264   76.709   9.1499  159.551   10.701  165.523   10.230 -5.972046 14.80440 
1 1 1  -27    5   54 o   48.821   13.888   4.6359   5.7085   1.9235   8.0552   7.3724   8.0909   44.532   18.991   53.109   20.271 -8.577187 27.77698 
1 1 1  -27    5   55 o  151.614   8.3725   65.752   6.7684   52.671   9.2694   80.692   9.9063  134.821   12.723  168.406   10.886 -33.58450 16.74491 
1 1 1  -27    5   58 o   36.934   12.833 -17.2267   7.8488  -2.1813   13.195 -25.4652   9.7640   46.038   21.495   27.831   14.025 18.20713 25.66597 
1 1 1  -27    5   59 o   73.476   16.118   19.817   7.1299   22.467   10.050   17.131   10.117   78.637   22.508   68.314   23.078 10.32333 32.23668 
1 1 1  -27    5   60 o   79.413   15.503   23.846   6.8770   25.618   9.9197   22.206   9.5425   82.457   21.895   76.369   21.954 6.088097 31.00614 
1 1 1  -27    6    1 f  567.513   10.750  873.147   32.964  864.414   46.784  881.757   46.455  564.679   15.332  570.347   15.073 -5.668457 21.50080 
1 1 1  -27    6    2 o  159.529   17.314   69.054   14.926   69.054   14.926   0.0000   0.0000  159.529   17.314  ?   ?       ?      ? 
1 1 1  -27    6    3 o  204.660   5.9449  112.529   6.5521  125.370   9.7126  101.805   8.8759  215.305   8.3482  194.015   8.4662 21.28944 11.88986 
1 1 1  -27    6    4 o  473.189   7.8923  613.979   19.364  576.802   31.763  635.969   24.428  461.513   12.737  484.865   9.3236 -23.35168 15.78451 
1 1 1  -27    6    5 o  424.331   8.6565  487.004   19.849   0.0000   0.0000  487.004   19.849  ?   ?   424.331   8.6565      ?      ? 
1 1 1  -27    6    6 o  151.652   7.4171   63.628   5.9426   52.638   8.8549   72.633   8.0157  139.441   11.752  163.863   9.0526 -24.42242 14.83424 
1 1 1  -27    6    7 o  253.615   5.6205  173.950   7.6836  173.850   11.267  174.037   10.506  253.538   8.2238  253.691   7.6635 -0.1531372 11.24095 
1 1 1  -27    6    8 o  426.403   6.2144  491.101   14.292  502.881   20.964  480.873   19.535  431.161   8.9981  421.645   8.5738 9.516937 12.42889 
1 1 1  -27    6    9 o  144.467   7.6096   56.348   5.9212   58.191   8.7894   54.816   8.0123  146.616   11.094  142.317   10.419 4.299652 15.21920 
1 1 1  -27    6   10 o  344.143   5.7877  320.412   10.751  318.786   15.559  321.898   14.872  343.298   8.3874  344.989   7.9775 -1.690857 11.57535 
1 1 1  -27    6   11 o  593.471   9.5305  965.079   28.978  920.721   48.994  988.946   35.939  582.562   15.564  604.381   11.004 -21.81885 19.06104 
1 1 1  -27    6   12 o  400.251   7.5720  439.604   15.332  416.667   26.543  451.088   18.781  392.161   12.526  408.342   8.5117 -16.18115 15.14404 
1 1 1  -27    6   13 o  402.557   7.4597  447.062   15.662  474.544   20.072  404.279   25.043  418.794   8.8695  386.320   11.997 32.47403 14.91935 
1 1 1  -27    6   14 o  436.409   7.7935  521.149   17.577  535.137   22.026  496.622   29.166  444.705   9.1658  428.112   12.607 16.59311 15.58709 
1 1 1  -27    6   15 f  259.030   5.7739  181.575   8.0729  171.024   11.373  192.290   11.461  251.434   8.3709  266.625   7.9549 -15.19070 11.54782 
1 1 1  -27    6   16 o  358.264   8.2344  347.224   15.941   0.0000   0.0000  347.224   15.941  ?   ?   358.264   8.2344      ?      ? 
1 1 1  -27    6   17 o  197.287   6.3966  105.328   6.8181  108.045   9.6782  102.651   9.6066  199.816   8.9635  194.758   9.1282 5.057785 12.79326 
1 1 1  -27    6   18 o  387.805   6.0416  406.719   12.656  394.545   17.649  419.607   18.159  381.834   8.5540  393.776   8.5342 -11.94214 12.08320 
1 1 1  -27    6   19 o  343.941   5.7956  319.686   10.757  328.323   15.699  312.041   14.769  348.304   8.3410  339.577   8.0488 8.726868 11.59117 
1 1 1  -27    6   20 o  156.664   7.2550   66.429   6.1346   71.089   8.8127   62.048   8.5448  161.997   10.067  151.330   10.449 10.66769 14.51006 
1 1 1  -27    6   21 o  310.411   5.7217  260.246   9.5840  270.766   14.012  250.997   13.138  316.287   8.1983  304.536   7.9837 11.75104 11.44339 
1 1 1  -27    6   22 o  217.208   6.0744  127.585   7.1167  130.019   10.424  125.459   9.7403  219.135   8.8027  215.280   8.3730 3.855591 12.14881 
1 1 1  -27    6   23 f  273.186   5.8249  201.904   8.5942  205.885   12.396  198.219   11.925  275.772   8.3187  270.600   8.1557 5.171875 11.64970 
1 1 1  -27    6   24 f  375.921   5.9784  382.333   12.131  389.334   17.628  376.034   16.721  379.173   8.6035  372.669   8.3032 6.503418 11.95674 
1 1 1  -27    6   25 o  274.282   8.1160  203.715   12.029  203.715   12.029   0.0000   0.0000  274.282   8.1160  ?   ?       ?      ? 
1 1 1  -27    6   26 o  260.248   11.439  183.896   16.086   0.0000   0.0000  183.896   16.086  ?   ?   260.248   11.439      ?      ? 
1 1 1  -27    6   27 o   84.365   15.891   19.635   7.6340   12.196   10.349   28.514   11.306   68.804   23.341   99.926   21.570 -31.12196 31.78177 
1 1 1  -27    6   28 o  326.812   8.2001  290.430   14.470  277.252   20.465  303.604   20.462  319.351   11.859  334.273   11.328 -14.92206 16.40025 
1 1 1  -27    6   29 o  316.185   8.5705  270.052   14.521  286.487   22.263  257.883   19.157  324.391   12.701  307.980   11.511 16.41089 17.14109 
1 1 1  -27    6   30 o  234.143   8.3101  148.973   10.489  152.275   15.449  146.149   14.286  236.497   12.089  231.788   11.406 4.709259 16.62023 
1 1 1  -27    6   31 o  238.090   7.2302  155.625   8.8712  159.343   11.073  148.964   14.823  242.333   8.4562  233.848   11.730 8.484589 14.46048 
1 1 1  -27    6   32 o  100.823   10.658   27.899   5.5487   36.720   8.3313   20.867   7.4384  115.924   13.300   85.721   16.659 30.20372 21.31676 
1 1 1  -27    6   33 o   45.648   13.247   1.9819   5.2415   3.0855   7.5092   0.9334   7.3197   47.595   19.115   43.701   18.344 3.893864 26.49301 
1 1 1  -27    6   34 o  185.514   6.5533   93.781   6.5461   84.872   9.2689  102.647   9.2463  176.647   9.7103  194.381   8.8029 -17.73376 13.10658 
1 1 1  -27    6   35 o  147.310   7.2706   59.101   5.7811   63.007   8.2726   55.372   8.0821  152.091   10.066  142.529   10.494 9.562378 14.54112 
1 1 1  -27    6   36 o  265.365   5.6432  191.299   8.0900  185.434   11.348  197.361   11.537  261.218   8.0392  269.511   7.9217 -8.292938 11.28637 
1 1 1  -27    6   37 o  301.248   5.6963  246.750   9.2697  238.957   13.085  254.603   13.134  296.446   8.1683  306.050   7.9418 -9.604340 11.39267 
1 1 1  -27    6   38 o  138.893   7.7160   52.809   5.7783   57.056   8.1983   48.616   8.1455  144.510   10.499  133.275   11.310 11.23502 15.43205 
1 1 1  -27    6   39 o  141.863   7.8102   55.360   5.9573   51.828   8.6836   58.501   8.1881  137.454   11.691  146.271   10.359 -8.816925 15.62042 
1 1 1  -27    6   40 o  242.100   5.7861  159.143   7.5451  166.626   11.220  152.966   10.194  247.222   8.3991  236.979   7.9607 10.24245 11.57228 
1 1 1  -27    6   41 o  171.381   6.5549   80.339   6.0665   78.844   8.6836   81.764   8.4786  169.780   9.4651  172.981   9.0707 -3.200638 13.10976 
1 1 1  -27    6   42 o  112.816   9.2128   35.352   5.5060   44.653   7.9820   26.909   7.6050  127.304   11.603   98.329   14.313 28.97559 18.42560 
1 1 1  -27    6   43 o  207.020   6.1858  117.090   6.9036  119.324   10.157  115.172   9.4121  208.778   9.0027  205.263   8.4858 3.515320 12.37161 
1 1 1  -27    6   44 o   48.736   12.738   3.7563   5.0712  -3.7282   7.3604   10.520   6.9969   37.030   16.834   60.442   19.122 -23.41249 25.47642 
1 1 1  -27    6   45 o  138.186   7.7664   53.096   5.7537   45.966   8.1843   60.064   8.0905  128.728   11.766  147.645   10.141 -18.91689 15.53282 
1 1 1  -27    6   46 o   56.937   12.730   7.8054   5.1845  -0.9739   7.3920   16.305   7.2734   40.196   17.658   73.679   18.340 -33.48363 25.45950 
1 1 1  -27    6   47 o  227.623   6.1322  142.245   7.5393  146.034   10.860  138.720   10.475  230.527   8.7181  224.719   8.6260 5.807343 12.26434 
1 1 1  -27    6   48 o  120.405   9.0644   40.742   5.8974   40.675   8.3052   40.810   8.3756  120.322   12.774  120.489   12.864 -0.1668777 18.12881 
1 1 1  -27    6   49 o   47.095   13.403   2.1437   5.6160   8.6027   8.1395  -3.7249   7.7586   56.506   20.570   37.685   17.190 18.82045 26.80695 
1 1 1  -27    6   50 o   41.561   12.921  -0.6328   5.6238   0.7057   7.6141  -2.2395   8.3422   42.468   18.294   40.654   18.253 1.813858 25.84293 
1 1 1  -27    6   51 o  100.537   11.516   29.957   6.0193   24.276   8.4495   35.810   8.5770   89.253   18.138  111.822   14.195 -22.56834 23.03179 
1 1 1  -27    6   52 o  186.414   7.2389   97.050   7.2864  101.711   10.340   92.451   10.269  190.989   10.019  181.839   10.451 9.150360 14.47786 
1 1 1  -27    6   53 o  208.748   6.6812  121.004   7.5089  136.298   10.943  107.394   10.323  221.370   9.1478  196.126   9.7402 25.24434 13.36245 
1 1 1  -27    6   54 o   52.260   14.489   6.5880   6.0869   9.3756   8.3805   3.4754   8.8555   56.641   20.833   47.879   20.141 8.762112 28.97750 
1 1 1  -27    6   55 o   60.542   16.566   9.7656   7.4006   16.768   12.780   6.2329   9.0774   69.471   25.696   51.613   20.915 17.85828 33.13193 
1 1 1  -27    6   58 o   34.625   11.836 -10.4618   6.7320  -6.4021   9.7360 -14.1809   9.3186   37.501   17.799   31.749   15.606 5.752201 23.67236 
1 1 1  -27    6   59 o  144.022   9.4618   61.561   7.3140   52.722   9.9074   72.148   10.843  132.236   13.865  155.807   12.879 -23.57054 18.92356 
1 1 1  -27    6   60 o  132.160   9.9635   54.286   7.0917   50.365   10.100   58.099   9.9597  126.608   14.763  137.711   13.384 -11.10217 19.92694 
1 1 1  -27    7    1 o  466.164   13.728  588.964   34.581  588.964   34.581   0.0000   0.0000  466.164   13.728  ?   ?       ?      ? 
1 1 1  -27    7    2 o  426.384   7.8743  480.902   16.767  463.652   20.006  521.622   30.736  413.983   8.9430  438.785   12.963 -24.80209 15.74863 
1 1 1  -27    7    3 o  192.839   6.7022   99.808   6.6856  103.401   11.308   97.877   8.2895  195.447   10.707  190.231   8.0641 5.215103 13.40437 
1 1 1  -27    7    4 o  338.166   5.7534  309.710   10.482  303.646   15.345  315.014   14.353  335.043   8.4757  341.288   7.7827 -6.245544 11.50684 
1 1 1  -27    7    5 o  458.808   9.0437  569.514   22.422   0.0000   0.0000  569.514   22.422  ?   ?   458.808   9.0437      ?      ? 
1 1 1  -27    7    6 o  328.628   5.7318  289.680   10.098  310.664   15.476  274.122   13.325  338.890   8.4508  318.366   7.7459 20.52408 11.46364 
1 1 1  -27    7    7 o  389.059   6.0341  408.949   12.662  417.567   18.568  401.458   17.311  392.873   8.7462  385.245   8.3155 7.628479 12.06828 
1 1 1  -27    7    8 o  105.273   9.7930   30.252   5.5155   28.315   8.2472   31.820   7.4185  102.174   14.938  108.372   12.668 -6.198105 19.58595 
1 1 1  -27    7    9 o  281.767   5.6913  214.578   8.6443  217.172   12.709  212.345   11.792  283.340   8.3006  280.194   7.7885 3.146576 11.38251 
1 1 1  -27    7   10 o  225.466   6.0684  138.244   7.3496  129.169   10.771  146.150   10.054  218.486   9.1232  232.445   8.0042 -13.95871 12.13673 
1 1 1  -27    7   11 o  988.114   12.057  2651.47   64.370  2621.63   90.240  2682.39   91.849  982.471   16.998  993.757   17.104 -11.28613 24.11383 
1 1 1  -27    7   12 o  376.241   7.5338  382.318   14.037  385.586   25.678  380.925   16.764  377.231   12.597  375.251   8.2672 1.980042 15.06758 
1 1 1  -27    7   13 o  524.041   8.8816  725.259   22.755  788.288   43.302  701.214   26.745  539.073   14.865  509.009   9.7238 30.06366 17.76317 
1 1 1  -27    7   14 o  419.780   7.6065  477.759   16.444  479.244   20.392  475.000   27.806  420.850   8.9667  418.710   12.289 2.139771 15.21291 
1 1 1  -27    7   15 o  332.970   7.1404  304.191   12.304  315.047   15.483  285.586   20.268  341.243   8.3964  324.698   11.552 16.54437 14.28085 
1 1 1  -27    7   16 o  393.287   6.1568  412.468   12.987  365.840   17.169  474.839   19.857  367.687   8.6411  418.886   8.7725 -51.19861 12.31363 
1 1 1  -27    7   17 f   52.441   13.321   2.9389   5.7148   12.679   8.1025  -6.7030   8.0614   67.889   20.423   36.993   17.110 30.89594 26.64276 
1 1 1  -27    7   18 o  128.899   8.6371   45.011   6.0103   42.329   8.3656   47.872   8.6407  124.928   12.392  132.871   12.035 -7.942841 17.27420 
1 1 1  -27    7   19 o  111.877   9.9762   33.968   6.0199   36.901   8.6418   31.203   8.3906  116.581   13.718  107.173   14.488 9.408554 19.95238 
1 1 1  -27    7   20 o  454.972   6.5368  560.608   16.069  552.046   22.750  569.133   22.701  451.496   9.3246  458.448   9.1636 -6.952362 13.07365 
1 1 1  -27    7   21 o  321.283   5.8248  279.090   10.098  285.189   14.743  273.701   13.859  324.573   8.4062  317.993   8.0654 6.579681 11.64967 
1 1 1  -27    7   22 o  158.049   7.5293   68.120   6.3850   59.558   9.1100   76.386   8.9516  148.193   11.376  167.905   9.8661 -19.71260 15.05862 
1 1 1  -27    7   23 o   72.701   12.595   13.427   5.7886   26.028   8.4413   2.2417   7.9531   97.764   15.979   47.639   19.474 50.12535 25.19021 
1 1 1  -27    7   24 o   40.720   12.732  -2.5058   5.5309  -3.9800   8.1136  -1.2260   7.5596   39.879   17.945   41.561   18.065 -1.681976 25.46306 
1 1 1  -27    7   25 o   44.732   13.762  -2.6107   6.5374   2.8311   8.2616 -11.7252   10.692   49.246   19.954   40.219   18.958 9.027267 27.52383 
1 1 1  -27    7   26 o   40.753   13.545 -11.2591   7.6154 -11.4685   11.018 -11.0676   10.538   41.238   19.378   40.268   18.932 0.9692383 27.09071 
1 1 1  -27    7   27 o  294.979   8.0554  235.222   12.807  255.856   18.920  217.770   17.400  306.856   11.410  283.103   11.374 23.75330 16.11082 
1 1 1  -27    7   28 o  230.995   8.5772  144.665   10.706   0.0000   0.0000  144.665   10.706  ?   ?   230.995   8.5772      ?      ? 
1 1 1  -27    7   29 o  178.144   10.139   86.588   9.7336   87.523   14.332   85.788   13.261  178.972   14.819  177.317   13.840 1.655075 20.27727 
1 1 1  -27    7   30 o  110.103   14.810   35.451   8.3131   29.077   13.223   39.617   10.690  100.062   24.622  120.144   16.466 -20.08279 29.62080 
1 1 1  -27    7   31 o  172.044   6.9028   80.453   6.4076   80.536   9.3230   80.378   8.8214  172.100   10.025  171.988   9.4919 0.1120300 13.80567 
1 1 1  -27    7   32 o  373.068   6.0127  377.821   12.112  376.905   17.455  378.671   16.821  372.598   8.6695  373.538   8.3335 -0.9401245 12.02532 
1 1 1  -27    7   33 o  101.187   11.563   31.325   5.6686   12.466   8.0264   50.092   8.0069   66.767   20.381  135.607   10.927 -68.83977 23.12531 
1 1 1  -27    7   34 o  110.659   9.3214   33.531   5.5735   33.557   7.9277   33.505   7.8373  110.693   13.254  110.623   13.111 0.6996918E-01 18.64284 
1 1 1  -27    7   35 o  235.990   5.9458  151.488   7.5768  145.458   10.742  157.457   10.688  231.281   8.5956  240.698   8.2175 -9.416733 11.89163 
1 1 1  -27    7   36 o   88.717   11.295   21.905   5.2809   25.310   7.8843   19.134   7.1119   95.743   15.240   81.691   16.675 14.05187 22.59006 
1 1 1  -27    7   37 o   47.606   13.204   3.2851   5.1830  -0.9582   7.5942   6.9851   7.0913   41.554   18.084   53.658   19.245 -12.10394 26.40885 
1 1 1  -27    7   38 o  126.879   8.4198   44.050   5.7583   45.602   8.5031   42.736   7.8259  128.889   12.209  124.869   11.598 4.019829 16.83968 
1 1 1  -27    7   39 o  101.697   10.248   29.045   5.5444   25.678   8.2745   31.789   7.4692   96.005   15.950  107.388   12.872 -11.38301 20.49570 
1 1 1  -27    7   40 o  140.084   7.7562   53.745   5.8424   55.216   8.7532   52.564   7.8458  141.712   11.431  138.457   10.487 3.254913 15.51232 
1 1 1  -27    7   41 o   53.550   14.220   6.3146   5.5716   7.9708   8.3011   4.9569   7.5161   56.973   20.768   50.128   19.432 6.845238 28.44095 
1 1 1  -27    7   42 o   84.188   11.883   20.039   5.2907   27.233   7.9384   14.289   7.0967   98.721   14.881   69.654   18.531 29.06705 23.76627 
1 1 1  -27    7   43 o  242.386   5.9152  161.046   7.7294  151.682   11.076  169.938   10.792  235.379   8.7079  249.394   8.0081 -14.01520 11.83034 
1 1 1  -27    7   44 o   84.739   12.442   21.397   5.5862   16.187   8.1854   25.939   7.6427   73.423   20.061   96.054   14.725 -22.63049 24.88495 
1 1 1  -27    7   45 o  202.619   6.2454  112.866   6.8256  108.885   9.8385  116.561   9.4773  199.053   9.1468  206.184   8.5063 -7.131302 12.49089 
1 1 1  -27    7   46 o  100.782   10.433   28.308   5.6343   33.628   8.5878   24.287   7.4658  109.018   14.578   92.546   14.929 16.47205 20.86592 
1 1 1  -27    7   47 o  125.944   8.6605   44.287   5.8887   46.958   8.4881   41.809   8.1764  129.645   12.116  122.242   12.378 7.403038 17.32101 
1 1 1  -27    7   48 o   69.803   14.027   14.807   5.6720   10.770   7.9252   19.048   8.1213   60.733   20.426   78.874   19.229 -18.14115 28.05306 
1 1 1  -27    7   49 o  163.076   7.8347   74.282   6.8293   89.052   9.8882   60.810   9.4433  178.975   10.224  147.176   11.874 31.79922 15.66941 
1 1 1  -27    7   50 o  168.322   7.3295   79.154   6.6518   74.276   9.4926   83.861   9.3238  163.005   10.777  173.640   9.9370 -10.63475 14.65900 
1 1 1  -27    7   51 o   79.460   13.747   19.590   6.0734   27.425   8.7681   12.364   8.4206   95.229   17.691   63.690   21.046 31.53818 27.49352 
1 1 1  -27    7   52 o   39.737   12.734  -2.7125   5.8711  -3.1446   8.8147  -2.3679   7.8712   40.485   18.411   38.988   17.597 1.496532 25.46838 
1 1 1  -27    7   53 o   81.443   12.803   20.580   6.1946   6.9104   8.6150   35.213   8.9136   53.060   20.738  109.826   15.020 -56.76569 25.60597 
1 1 1  -27    7   54 o  224.066   6.6435  140.975   8.0278  139.536   11.686  142.262   11.047  222.697   9.7109  225.435   9.0686 -2.737778 13.28691 
1 1 1  -27    7   55 o   84.148   27.564   26.486   14.456   26.486   14.456   0.0000   0.0000   84.148   27.564  ?   ?       ?      ? 
1 1 1  -27    7   57 o   61.280   25.100   13.351   13.245   13.351   13.245   0.0000   0.0000   61.280   25.100  ?   ?       ?      ? 
1 1 1  -27    7   58 o   60.324   15.213   12.060   6.6110   17.885   9.3672   6.2784   9.3315   70.245   22.114   50.402   20.898 19.84338 30.42683 
1 1 1  -27    7   59 f   46.649   14.258   4.1362   6.6215   5.7037   9.0105   2.2960   9.7630   48.218   20.302   45.079   20.025 3.138714 28.51639 
1 1 1  -27    8    1 o  246.791   13.916  165.135   18.558  165.135   18.558   0.0000   0.0000  246.791   13.916  ?   ?       ?      ? 
1 1 1  -27    8    2 o  488.384   8.1506  648.277   20.460  638.513   34.655  653.502   25.350  485.367   13.213  491.401   9.5466 -6.034119 16.30115 
1 1 1  -27    8    3 o  275.362   5.7817  205.298   8.5693  202.944   12.653  207.292   11.647  273.887   8.5497  276.837   7.7856 -2.949768 11.56343 
1 1 1  -27    8    4 o  260.605   5.7597  179.636   7.9704  205.350   12.785  163.288   10.194  275.504   8.5878  245.706   7.6777 29.79782 11.51941 
1 1 1  -27    8    5 o  382.413   8.2799  395.607   17.110   0.0000   0.0000  395.607   17.110  ?   ?   382.413   8.2799      ?      ? 
1 1 1  -27    8    6 o  440.171   6.4151  523.905   15.234  530.378   22.244  518.186   20.906  442.714   9.2983  437.629   8.8406 5.084900 12.83022 
1 1 1  -27    8    8 o  299.974   5.7335  241.255   9.2258  260.665   14.108  226.753   12.195  310.409   8.4110  289.539   7.7942 20.86938 11.46708 
1 1 1  -27    8    9 o  118.702   9.1806   38.192   5.8359   38.134   8.8624   38.237   7.7544  118.598   13.829  118.806   12.079 -0.2080231 18.36123 
1 1 1  -27    8   10 o  142.675   7.8548   55.416   6.0210   51.468   8.7932   58.900   8.2617  137.846   11.805  147.505   10.365 -9.659546 15.70964 
1 1 1  -27    8   11 o  115.899   9.1037   36.069   5.6628   39.204   8.6389   33.707   7.4985  120.264   13.293  111.535   12.442 8.728149 18.20736 
1 1 1  -27    8   12 o  879.442   10.847  2098.36   51.541  2067.82   72.110  2130.26   73.695  872.915   15.287  885.969   15.393 -13.05414 21.69473 
1 1 1  -27    8   13 o  789.457   12.140  1698.27   48.728  1680.18   84.449  1707.30   59.662  785.511   19.895  793.403   13.916 -7.892334 24.27925 
1 1 1  -27    8   14 o  590.439   9.6009  956.580   29.054  910.135   49.043  981.694   36.063  578.884   15.678  601.994   11.086 -23.11017 19.20184 
1 1 1  -27    8   15 o  200.188   8.3262  111.715   8.5395  119.560   10.735   98.198   14.092  210.144   9.4537  190.232   13.709 19.91162 16.65246 
1 1 1  -27    8   16 o  317.752   7.2162  276.564   11.838  284.358   14.823  262.838   19.671  324.130   8.4629  311.373   11.691 12.75681 14.43249 
1 1 1  -27    8   17 o  248.429   5.9066  167.392   7.9111  160.443   11.426  173.791   10.964  243.448   8.6857  253.411   8.0069 -9.962219 11.81320 
1 1 1  -27    8   18 o  238.573   6.0043  153.758   7.7276  159.309   11.329  148.928   10.568  242.583   8.6424  234.562   8.3376 8.020889 12.00862 
1 1 1  -27    8   19 f  648.813   8.3680  1141.61   29.332  1146.11   41.920  1137.31   41.058  650.042   11.934  647.584   11.733 2.458679 16.73592 
1 1 1  -27    8   20 o  696.151   8.8710  1315.22   33.369  1314.07   47.437  1316.35   46.948  695.831   12.616  696.471   12.474 -0.6398926 17.74205 
1 1 1  -27    8   21 o  109.232   10.261   32.743   5.9948   29.585   8.8491   35.422   8.1499  104.259   15.707  114.205   13.206 -9.945419 20.52110 
1 1 1  -27    8   22 o  435.268   6.4303  513.336   15.120  508.031   21.564  518.468   21.207  433.040   9.2155  437.496   8.9705 -4.456451 12.86058 
1 1 1  -27    8   23 o  210.402   6.3503  119.578   7.2086  127.177   10.552  112.928   9.8714  216.648   9.0132  204.155   8.9481 12.49303 12.70062 
1 1 1  -27    8   24 o  496.536   8.4195  678.520   21.859  707.394   27.957  633.108   35.061  510.676   10.131  482.395   13.450 28.28082 16.83899 
1 1 1  -27    8   25 o   91.783   14.570   24.137   7.9827   6.0203   11.436   41.351   11.148   60.568   23.828  122.998   16.773 -62.43005 29.13913 
1 1 1  -27    8   26 o  262.629   8.2138  186.351   11.618  201.644   17.308  173.806   15.675  272.360   11.760  252.899   11.470 19.46088 16.42761 
1 1 1  -27    8   27 o   80.019   14.284   19.955   6.4473   8.3198   11.633   25.113   7.7458   64.133   24.347   95.905   14.946 -31.77235 28.56890 
1 1 1  -27    8   28 o  250.530   8.4465  170.882   11.377  170.338   16.945  171.329   15.352  250.074   12.540  250.987   11.319 -0.9138947 16.89295 
1 1 1  -27    8   29 o  154.676   10.757   63.841   8.8749   77.613   13.932   54.437   11.513  168.342   15.316  141.010   15.109 27.33141 21.51436 
1 1 1  -27    8   30 o  352.059   7.2198  335.717   13.151  332.349   16.349  341.892   22.135  349.895   8.6471  354.222   11.564 -4.327148 14.43960 
1 1 1  -27    8   31 o  241.737   6.0312  158.482   7.8738  162.692   11.373  154.606   10.912  244.809   8.5970  238.665   8.4612 6.143539 12.06236 
1 1 1  -27    8   32 o  332.421   5.8931  299.502   10.560  306.377   15.561  293.635   14.376  335.906   8.5732  328.936   8.0879 6.969177 11.78620 
1 1 1  -27    8   33 o  144.290   7.8836   56.925   6.1263   54.695   8.9272   58.910   8.4226  141.547   11.671  147.033   10.601 -5.485168 15.76712 
1 1 1  -27    8   34 o  105.136   10.002   30.861   5.5762   27.165   8.4126   33.758   7.4473   99.226   15.690  111.046   12.411 -11.82015 20.00496 
1 1 1  -27    8   35 o  288.026   5.7053  225.680   8.8699  221.097   12.769  229.954   12.330  285.150   8.2871  290.902   7.8439 -5.752411 11.41067 
1 1 1  -27    8   36 o  266.835   5.8544  193.753   8.4320  182.497   11.883  205.170   11.967  258.979   8.4909  274.691   8.0623 -15.71207 11.70886 
1 1 1  -27    8   37 o  121.607   9.1693   42.105   5.8030   32.902   8.8000   49.186   7.7192  109.086   14.929  134.129   10.650 -25.04333 18.33854 
1 1 1  -27    8   38 o   65.377   13.360   11.950   5.3889   5.3345   7.6946   18.319   7.5497   51.393   19.731   79.361   18.017 -27.96763 26.71954 
1 1 1  -27    8   39 o  203.032   6.2139  112.466   6.7806  112.969   10.137  112.059   9.1218  203.338   9.2257  202.727   8.3268 0.6113434 12.42779 
1 1 1  -27    8   40 o  216.045   6.1675  127.766   7.1809  121.660   10.375  133.380   9.9487  210.978   9.1007  221.113   8.3265 -10.13535 12.33506 
1 1 1  -27    8   41 o  130.262   8.2762   46.170   5.7488   50.515   9.0321   43.211   7.4536  135.194   12.364  125.331   11.006 9.863686 16.55246 
1 1 1  -27    8   42 o  235.564   6.1287  152.150   7.7788  139.663   11.039  164.466   10.963  225.811   9.0467  245.316   8.2705 -19.50540 12.25738 
1 1 1  -27    8   43 f   54.116   13.205   6.7104   5.3085  -0.8809   7.8563   13.088   7.2011   41.765   18.279   66.466   19.061 -24.70089 26.40952 
1 1 1  -27    8   44 o  114.026   9.6125   36.565   5.8548   35.165   8.8715   37.646   7.7929  111.749   14.692  116.304   12.400 -4.555489 19.22495 
1 1 1  -27    8   45 o  143.999   7.7170   56.396   5.9463   66.153   9.2111   49.425   7.7860  154.434   11.038  133.565   10.788 20.86880 15.43403 
1 1 1  -27    8   46 o  189.023   6.7361   98.505   6.8312   98.598   10.290   98.431   9.1347  188.876   10.082  189.171   8.9362 -0.2950592 13.47213 
1 1 1  -27    8   47 o  195.488   6.7311  105.750   7.0964  101.034   10.198  110.177   9.8811  191.092   9.8762  199.885   9.1482 -8.793060 13.46212 
1 1 1  -27    8   48 o   80.690   13.668   19.698   5.9119   24.820   8.8481   15.567   7.9460   90.352   18.737   71.028   19.905 19.32431 27.33652 
1 1 1  -27    8   49 o   50.133   13.904   4.9410   5.7143   0.6979   8.3170   8.7350   7.8645   44.082   19.055   56.185   20.255 -12.10308 27.80883 
1 1 1  -27    8   50 o  167.283   7.4714   77.616   6.6893   81.698   10.291   74.630   8.8026  170.760   11.153  163.806   9.9447 6.953537 14.94280 
1 1 1  -27    8   51 o  181.661   7.2875   92.743   7.1049   84.956   10.355   99.671   9.7667  173.988   11.014  189.334   9.5462 -15.34633 14.57505 
1 1 1  -27    8   52 o   66.199   15.007   13.848   6.1346   16.287   8.7363   11.476   8.6163   71.090   21.166   61.308   21.280 9.781609 30.01421 
1 1 1  -27    8   53 o   52.965   14.567   6.7370   6.1971   2.5562   8.9609   10.570   8.5797   46.892   20.015   59.038   21.169 -12.14611 29.13311 
1 1 1  -27    8   54 o  109.735   12.073   36.449   6.8147   48.593   10.275   26.910   9.1058  127.943   14.861   91.526   19.032 36.41778 24.14682 
1 1 1  -27    8   57 o   51.170   14.946   6.1397   6.8146   13.022   10.530   1.1794   8.9392   59.624   23.031   42.717   19.057 16.90713 29.89298 
1 1 1  -27    8   58 o   33.856   11.610 -11.5109   6.6476 -14.6058   9.6374  -8.7020   9.1814   32.567   15.981   35.145   16.846 -2.577599 23.22050 
1 1 1  -27    8   59 o   65.009   15.538   15.729   6.9878   8.1694   9.6439   24.085   10.139   51.461   21.284   78.557   22.644 -27.09611 31.07633 
1 1 1  -27    9    1 o  391.840   8.5961  415.514   18.158  409.685   24.760  422.297   26.709  388.902   11.782  394.778   12.520 -5.875854 17.19212 
1 1 1  -27    9    2 o  410.833   7.4098  461.721   15.684  440.766   26.214  473.405   19.573  403.366   12.026  418.301   8.6594 -14.93475 14.81964 
1 1 1  -27    9    3 o  577.842   7.6861  904.247   23.996  890.552   34.060  917.743   33.811  573.483   10.991  582.201   10.747 -8.717163 15.37228 
1 1 1  -27    9    4 o   40.248   17.716  -2.1228   7.4727   0.0000   0.0000  -2.1228   7.4727  ?   ?    40.248   17.716      ?      ? 
1 1 1  -27    9    5 o  366.112   6.0754  362.869   12.003  357.886   17.370  367.422   16.604  363.690   8.8386  368.533   8.3380 -4.842834 12.15083 
1 1 1  -27    9    6 o  177.829   6.9264   86.365   6.5698   80.055   9.9100   91.312   8.7754  171.953   10.665  183.705   8.8401 -11.75214 13.85272 
1 1 1  -27    9    7 o  590.357   7.7696  943.653   24.783  925.329   34.848  962.406   35.253  584.554   11.032  596.161   10.943 -11.60736 15.53925 
1 1 1  -27    9    8 o  184.000   6.6696   91.470   6.5650   92.734   10.051   90.530   8.6702  185.085   10.049  182.915   8.7719 2.170120 13.33912 
1 1 1  -27    9    9 o  177.994   7.0065   85.414   6.7035   89.035   10.092   82.554   8.9676  181.343   10.299  174.645   9.5024 6.697830 14.01298 
1 1 1  -27    9   10 o  623.755   11.602  1054.08   39.107  1054.08   39.107   0.0000   0.0000  623.755   11.602  ?   ?       ?      ? 
1 1 1  -27    9   11 o  624.638   8.1262  1057.13   27.427  1043.49   38.650  1070.96   38.928  620.576   11.526  628.701   11.459 -8.125061 16.25232 
1 1 1  -27    9   12 o  110.883   10.382   32.989   6.1802   38.634   9.2932   28.514   8.2752  119.296   14.416  102.470   14.945 16.82600 20.76490 
1 1 1  -27    9   13 o  195.168   6.7431  104.104   7.0429   93.412   10.343  113.347   9.6170  185.701   10.307  204.634   8.6971 -18.93303 13.48621 
1 1 1  -27    9   14 o  219.176   8.5485  131.470   8.7131  127.905   17.455  132.653   10.055  216.970   14.888  221.382   8.4056 -4.411728 17.09706 
1 1 1  -27    9   15 o  599.937   9.7530  985.251   29.786  953.153   51.201  1001.67   36.620  591.977   16.006  607.897   11.148 -15.92010 19.50590 
1 1 1  -27    9   16 o   80.310   15.864   18.017   7.0262   17.609   8.9825   18.660   11.278   78.867   20.784   81.753   23.973 -2.885666 31.72838 
1 1 1  -27    9   17 o  399.104   6.2511  431.125   13.478  418.697   18.881  444.039   19.247  393.237   8.8855  404.971   8.7951 -11.73477 12.50221 
1 1 1  -27    9   18 o  327.376   5.9095  289.580   10.430  298.006   15.364  282.376   14.205  331.769   8.5698  322.984   8.1391 8.784760 11.81891 
1 1 1  -27    9   19 o  380.309   6.1017  391.293   12.515  396.929   18.334  386.376   17.126  382.848   8.8623  377.770   8.3895 5.078156 12.20341 
1 1 1  -27    9   20 o  291.290   5.9577  230.054   9.3648  221.911   13.440  237.738   13.056  286.254   8.6889  296.327   8.1535 -10.07327 11.91542 
1 1 1  -27    9   21 o  327.214   5.9269  289.998   10.466  270.582   14.688  310.022   14.916  316.067   8.5998  338.361   8.1581 -22.29370 11.85378 
1 1 1  -27    9   22 o  623.928   8.1589  1056.98   27.506  1054.16   39.079  1059.75   38.723  623.083   11.607  624.772   11.470 -1.688477 16.31784 
1 1 1  -27    9   23 o  341.266   8.3380  316.405   15.374  309.685   21.684  323.198   21.800  337.607   11.886  344.925   11.696 -7.317932 16.67592 
1 1 1  -27    9   24 f  102.699   14.877   29.480   8.1497   42.162   12.010   18.655   11.095  124.079   17.912   81.320   23.759 42.75896 29.75463 
1 1 1  -27    9   25 o  391.647   8.6253  417.158   18.253  410.586   25.675  423.874   25.954  388.522   12.230  394.772   12.167 -6.250641 17.25069 
1 1 1  -27    9   26 o  287.504   6.0363  223.527   9.2985  228.541   14.168  219.733   12.324  290.268   9.0327  284.739   8.0098 5.529175 12.07256 
1 1 1  -27    9   27 o  211.853   8.1077  116.710   8.4589  135.270   16.109  109.644   9.9395  222.702   13.386  201.003   9.1511 21.69893 16.21531 
1 1 1  -27    9   28 o   80.060   18.084   17.812   8.7338   16.223   14.090   18.804   11.130   78.874   27.222   81.246   23.813 -2.372101 36.16750 
1 1 1  -27    9   29 o  176.328   9.9726   82.986   9.3767   98.919   14.789   72.275   12.126  190.088   14.397  162.569   13.803 27.51892 19.94525 
1 1 1  -27    9   30 o   80.267   13.449   18.787   5.7549   15.626   8.6331   21.315   7.7204   73.969   20.754   86.565   17.111 -12.59690 26.89839 
1 1 1  -27    9   31 o  126.340   8.8525   44.399   5.9285   36.751   8.7157   50.985   8.0879  115.867   13.920  136.813   10.940 -20.94626 17.70495 
1 1 1  -27    9   32 o  106.508   10.047   31.138   5.7668   34.105   8.2266   28.271   8.0863  111.563   13.646  101.453   14.750 10.10977 20.09428 
1 1 1  -27    9   33 o  259.241   5.8486  182.485   8.1831  185.721   11.910  179.591   11.262  261.386   8.4322  257.095   8.1068 4.291046 11.69714 
1 1 1  -27    9   34 o  162.187   7.2139   72.150   6.2866   66.268   9.1258   77.462   8.6726  155.762   10.842  168.613   9.5186 -12.85103 14.42776 
1 1 1  -27    9   35 o   45.178   13.331   1.4784   5.4232  -0.3688   8.3238   2.8410   7.1488   44.318   19.110   46.038   18.594 -1.720337 26.66287 
1 1 1  -27    9   36 o  143.797   7.9210   55.768   6.1091   65.369   9.2900   48.453   8.1091  154.555   11.124  133.040   11.280 21.51495 15.84196 
1 1 1  -27    9   37 o  417.273   6.3488  474.670   14.304  478.094   20.669  471.523   19.817  418.648   9.1363  415.897   8.8180 2.750916 12.69763 
1 1 1  -27    9   38 o  154.407   7.4043   65.920   6.1198   58.985   8.9556   71.996   8.3824  146.537   11.310  162.276   9.5593 -15.73840 14.80852 
1 1 1  -27    9   39 o  293.076   5.8564  234.576   9.2589  228.193   13.377  240.446   12.828  289.150   8.5615  297.003   7.9932 -7.853271 11.71284 
1 1 1  -27    9   40 o   98.105   11.696   28.535   5.8229   20.871   8.6648   34.846   7.8632   84.028   19.465  112.183   12.971 -28.15529 23.39107 
1 1 1  -27    9   41 o  194.831   6.6553  104.864   6.9344   97.013   10.334  111.295   9.3529  187.910   10.177  201.752   8.5791 -13.84186 13.31060 
1 1 1  -27    9   42 o   93.220   11.645   25.356   5.6204   22.783   8.5559   27.310   7.4544   87.641   18.640   98.798   13.963 -11.15692 23.28938 
1 1 1  -27    9   43 o  150.579   7.4360   62.030   6.0183   67.658   9.1035   57.661   8.0211  156.521   10.763  144.638   10.263 11.88283 14.87192 
1 1 1  -27    9   44 o   42.811   13.099  -1.4529   5.7360   4.0171   8.5372  -5.9543   7.7445   49.907   20.262   35.715   16.605 14.19255 26.19741 
1 1 1  -27    9   45 o  101.680   10.369   29.048   5.6751   32.410   8.4615   26.300   7.6512  106.995   14.635   96.365   14.693 10.62991 20.73848 
1 1 1  -27    9   46 o   52.598   13.586   5.7467   5.5493  -0.9896   7.9690   12.089   7.7321   41.530   18.287   63.666   20.098 -22.13615 27.17243 
1 1 1  -27    9   47 o   58.232   14.171   9.5311   5.6529   4.8922   8.5533   13.129   7.5326   50.784   20.399   65.680   19.676 -14.89587 28.34223 
1 1 1  -27    9   48 o  104.650   10.934   32.572   5.8596   25.629   8.5306   38.774   8.0628   92.156   17.775  117.145   12.737 -24.98872 21.86711 
1 1 1  -27    9   49 o  107.932   10.512   33.135   6.0609   40.840   9.0800   26.944   8.1398  119.460   14.066   96.403   15.625 23.05740 21.02403 
1 1 1  -27    9   50 o  178.665   7.1812   88.934   6.9036   89.054   10.242   88.835   9.3457  178.523   10.617  178.807   9.6725 -0.2836761 14.36235 
1 1 1  -27    9   51 o   44.297   13.238   0.0048   6.0098  -8.7070   9.0323   6.9255   8.0504   36.127   17.146   52.467   20.173 -16.33953 26.47568 
1 1 1  -27    9   52 o  133.855   9.1386   50.864   6.5742   58.722   9.7977   44.430   8.8664  143.333   12.650  124.378   13.192 18.95451 18.27719 
1 1 1  -27    9   53 f   38.481   12.608  -4.5824   6.1976  -3.0952   9.2097  -5.8134   8.3787   40.677   18.621   36.284   17.002 4.393215 25.21520 
1 1 1  -27    9   54 o   68.236   27.891   14.597   16.312   14.597   16.312   0.0000   0.0000   68.236   27.891  ?   ?       ?      ? 
1 1 1  -27    9   56 o   56.957   24.807   9.0676   14.313   9.0676   14.313   0.0000   0.0000   56.957   24.807  ?   ?       ?      ? 
1 1 1  -27    9   57 o   75.635   15.104   21.064   6.8882   13.182   10.357   27.317   9.2241   61.311   23.042   89.959   19.535 -28.64801 30.20818 
1 1 1  -27    9   58 o   48.723   14.559   5.3681   6.8026   0.7446   10.047   9.2816   9.2436   43.917   19.846   53.530   21.306 -9.612854 29.11751 
1 1 1  -27   10    1 o  135.746   14.556   50.023   10.677   50.023   10.677   0.0000   0.0000  135.746   14.556  ?   ?       ?      ? 
1 1 1  -27   10    2 o  147.560   7.6947   58.791   6.0450   60.089   9.4375   57.889   7.8718  148.904   11.729  146.215   9.9631 2.689682 15.38935 
1 1 1  -27   10    3 f  149.238   10.011   60.308   8.0736   0.0000   0.0000   60.308   8.0736  ?   ?   149.238   10.011      ?      ? 
1 1 1  -27   10    4 o  180.485   7.0886   87.928   6.8323   90.001   10.554   86.432   8.9643  182.282   10.715  178.689   9.2839 3.593826 14.17729 
1 1 1  -27   10    5 o  299.283   5.8693  242.297   9.4379  243.104   14.132  241.648   12.680  299.709   8.7259  298.858   7.8519 0.8509521 11.73853 
1 1 1  -27   10    6 o  440.441   8.9162  525.063   21.220   0.0000   0.0000  525.063   21.220  ?   ?   440.441   8.9162      ?      ? 
1 1 1  -27   10    7 o  487.846   6.8692  644.632   18.102  631.628   25.751  657.336   25.452  482.964   9.8672  492.728   9.5595 -9.764435 13.73843 
1 1 1  -27   10    8 o  442.902   6.5066  531.164   15.560  528.334   22.420  533.793   21.613  441.745   9.3925  444.058   9.0070 -2.313629 13.01325 
1 1 1  -27   10    9 o  333.861   5.9216  302.088   10.667  285.207   15.170  318.596   15.002  324.604   8.6484  343.118   8.0911 -18.51364 11.84317 
1 1 1  -27   10   10 o  253.723   5.9835  173.205   8.1515  183.097   12.371  165.613   10.837  260.069   8.8028  247.377   8.1069 12.69196 11.96707 
1 1 1  -27   10   11 o  159.474   7.2737   69.008   6.2263   67.932   9.3218   69.874   8.3660  158.323   10.896  160.624   9.6388 -2.300659 14.54745 
1 1 1  -27   10   12 o   73.275   13.861   15.000   5.5569   16.493   8.4863   13.880   7.3524   76.373   20.238   70.176   18.946 6.197380 27.72260 
1 1 1  -27   10   13 o  262.003   6.0264  186.115   8.4878  182.863   12.605  188.813   11.481  259.878   8.9758  264.128   8.0440 -4.250183 12.05287 
1 1 1  -27   10   14 o  212.246   6.4734  121.338   7.3556  126.611   11.294  117.453   9.6935  216.201   9.6669  208.290   8.6124 7.911026 12.94685 
1 1 1  -27   10   15 o  291.642   7.8713  234.302   10.961  222.613   20.965  238.699   12.858  286.315   13.551  296.969   8.0129 -10.65396 15.74263 
1 1 1  -27   10   16 f  250.238   6.1164  169.619   8.2268  168.849   12.268  170.248   11.090  249.695   9.0921  250.783   8.1837 -1.087982 12.23274 
1 1 1  -27   10   17 o  208.745   7.8644  116.570   8.6014  111.950   10.808  124.549   14.204  203.264   9.8404  214.227   12.270 -10.96320 15.72886 
1 1 1  -27   10   18 o  235.824   6.2399  149.724   7.9049  158.584   11.968  142.869   10.528  241.953   9.1542  229.695   8.4822 12.25842 12.47982 
1 1 1  -27   10   19 o  275.874   8.9075  206.174   13.279  206.174   13.279   0.0000   0.0000  275.874   8.9075  ?   ?       ?      ? 
1 1 1  -27   10   20 o  365.167   6.0630  360.410   11.927  371.394   17.682  351.241   16.155  370.229   8.8384  360.104   8.3019 10.12482 12.12598 
1 1 1  -27   10   21 o  439.174   7.9543  516.184   17.891  500.860   21.883  547.072   31.069  429.809   9.4219  448.540   12.818 -18.73035 15.90857 
1 1 1  -27   10   22 o   74.405   15.734   12.575   7.3938   26.194   11.732   3.6014   9.5232   95.552   22.999   53.258   21.478 42.29324 31.46824 
1 1 1  -27   10   23 o  179.593   9.5977   88.677   9.2185   76.036   13.262  100.495   12.823  166.967   14.699  192.219   12.345 -25.25189 19.19545 
1 1 1  -27   10   24 o  258.579   8.3211  182.052   11.612  174.527   16.603  189.257   16.245  253.290   12.131  263.868   11.393 -10.57805 16.64214 
1 1 1  -27   10   25 o  305.800   5.9236  252.738   9.7311  260.756   14.671  246.439   13.003  310.067   8.7562  301.533   7.9804 8.534393 11.84727 
1 1 1  -27   10   26 o  257.725   6.1049  180.618   8.4362  176.679   12.671  183.754   11.307  255.125   9.1911  260.325   8.0376 -5.200165 12.20981 
1 1 1  -27   10   27 f  431.549   9.2677  507.587   21.556  520.495   31.807  496.622   29.315  436.482   13.486  426.616   12.716 9.866364 18.53544 
1 1 1  -27   10   28 o   91.259   17.643   23.963   8.9082   26.261   13.413   22.149   11.915   94.977   25.569   87.542   24.319 7.434845 35.28690 
1 1 1  -27   10   29 o  121.823   12.330   45.588   7.1296   59.986   9.4156   26.239   10.915  148.343   11.746   95.302   21.684 53.04073 24.66073 
1 1 1  -27   10   30 o  215.553   6.2692  125.609   7.2194  130.204   11.163  122.306   9.4651  218.847   9.4400  212.260   8.2522 6.587158 12.53844 
1 1 1  -27   10   31 o  113.423   9.6669   34.580   5.7576   47.885   8.7795   24.541   7.6266  132.356   12.276   94.490   14.937 37.86556 19.33381 
1 1 1  -27   10   32 o  208.209   6.2942  117.898   7.0526  118.304   10.464  117.559   9.5464  208.475   9.2890  207.943   8.4959 0.5317230 12.58831 
1 1 1  -27   10   33 o  248.852   5.9303  168.310   7.9350  169.486   11.844  167.352   10.689  249.561   8.7825  248.142   7.9713 1.419342 11.86060 
1 1 1  -27   10   34 f  258.964   5.9636  181.711   8.2990  189.257   12.511  175.781   11.090  263.671   8.7809  254.258   8.0719 9.412582 11.92728 
1 1 1  -27   10   35 o  188.613   6.7439   96.800   6.8370   99.174   10.262   94.905   9.1683  190.607   9.9632  186.619   9.0917 3.987900 13.48790 
1 1 1  -27   10   36 o  232.151   6.0637  146.679   7.5890  149.183   11.158  144.523   10.352  233.935   8.8267  230.367   8.3163 3.567673 12.12732 
1 1 1  -27   10   37 o   57.422   14.340   8.1452   5.5398   10.690   8.4401   6.2187   7.3429   62.576   21.079   52.267   19.449 10.30928 28.68063 
1 1 1  -27   10   38 o  211.516   6.3503  121.304   7.2182  130.814   10.925  113.935   9.6164  218.749   9.2421  204.282   8.7115 14.46677 12.70064 
1 1 1  -27   10   39 o   87.794   12.535   24.227   5.7371   12.998   8.8234   32.452   7.5514   67.306   21.493  108.283   12.906 -40.97603 25.06997 
1 1 1  -27   10   40 o  130.126   8.6704   46.705   6.0753   48.561   9.0424   45.179   8.2024  132.378   12.641  127.874   11.871 4.504097 17.34080 
1 1 1  -27   10   41 o  138.161   8.5785   54.419   6.2142   42.643   9.2100   64.260   8.4195  123.528   13.798  152.794   10.197 -29.26567 17.15697 
1 1 1  -27   10   42 o  116.607   9.2191   37.834   5.7254   38.419   8.9027   37.422   7.4765  117.074   14.073  116.140   11.913 0.9338226 18.43816 
1 1 1  -27   10   43 o   71.380   13.582   15.756   5.5337   10.445   8.4423   19.757   7.3272   61.056   21.072   81.704   17.143 -20.64852 27.16405 
1 1 1  -27   10   44 o  105.408   10.338   31.080   5.8439   34.470   8.9627   28.573   7.7076  110.207   15.050  100.609   14.177 9.597191 20.67613 
1 1 1  -27   10   45 o  120.071   9.7114   40.130   6.2440   48.509   9.3914   33.493   8.3591  131.338   13.233  108.804   14.218 22.53440 19.42286 
1 1 1  -27   10   46 o  152.509   7.9090   64.857   6.4628   64.862   9.7860   64.853   8.6066  152.203   11.899  152.816   10.423 -0.6128540 15.81793 
1 1 1  -27   10   47 o   95.118   12.201   27.898   5.9335   20.019   8.8282   34.390   8.0132   80.142   20.349  110.094   13.470 -29.95116 24.40279 
1 1 1  -27   10   48 o   55.012   13.875   7.6698   5.7665   0.1381   8.8374   13.254   7.6097   44.494   19.433   65.529   19.810 -21.03452 27.75004 
1 1 1  -27   10   49 o  150.465   8.0878   63.798   6.5213   61.364   9.7521   65.767   8.7709  147.449   12.240  153.482   10.575 -6.032837 16.17555 
1 1 1  -27   10   50 o   56.395   14.831   8.6519   6.0710   10.483   8.6809   6.8988   8.4935   59.667   21.305   53.123   20.639 6.543282 29.66218 
1 1 1  -27   10   51 o  113.468   10.893   38.104   6.5830   33.873   9.7529   41.646   8.9222  106.717   16.913  120.219   13.734 -13.50187 21.78691 
1 1 1  -27   10   52 o  120.952   10.002   41.908   6.4598   51.744   9.9533   34.750   8.4910  133.153   13.833  108.751   14.449 24.40153 20.00328 
1 1 1  -27   10   53 o   80.515   17.270   22.990   7.9511   22.086   14.189   23.405   9.6002   77.267   27.274   83.763   21.193 -6.496857 34.54051 
1 1 1  -27   10   56 o   39.129   12.943  -6.7648   6.9110   2.6256   10.408 -14.1711   9.2429   46.631   20.697   31.627   15.546 15.00399 25.88525 
1 1 1  -27   10   57 o   66.835   15.723   16.150   6.9836   10.253   9.9428   21.892   9.8111   56.345   22.201   77.325   22.270 -20.98028 31.44616 
1 1 1  -27   10   58 o  100.306   13.831   36.608   7.2211   24.295   10.563   47.413   9.8943   77.961   23.288  122.651   14.929 -44.69016 27.66210 
1 1 1  -27   11    1 o  240.615   6.0560  156.161   7.7956  160.629   11.970  152.871   10.273  243.563   9.0951  237.667   7.9988 5.896027 12.11208 
1 1 1  -27   11    2 o  501.220   6.9968  680.675   18.945  668.235   26.930  692.864   26.657  496.667   10.034  505.773   9.7537 -9.106384 13.99369 
1 1 1  -27   11    3 f  331.102   6.0152  297.706   10.726  280.673   15.519  313.286   14.842  321.974   8.9196  340.230   8.0730 -18.25571 12.03048 
1 1 1  -27   11    4 o  138.134   8.2134   52.047   6.0630   49.424   9.1522   54.098   8.0939  134.974   12.548  141.295   10.601 -6.320435 16.42680 
1 1 1  -27   11    5 o  442.030   9.0044  529.032   21.508   0.0000   0.0000  529.032   21.508  ?   ?   442.030   9.0044      ?      ? 
1 1 1  -27   11    6 o  182.928   6.8568   90.483   6.7078   91.671   10.281   89.602   8.8515  183.940   10.343  181.915   9.0045 2.025024 13.71361 
1 1 1  -27   11    7 o  273.976   5.8609  203.532   8.6412  198.946   12.733  207.448   11.765  271.085   8.6925  276.867   7.8639 -5.781799 11.72185 
1 1 1  -27   11    8 o  283.458   5.9110  217.625   9.0244  215.788   13.281  219.201   12.301  282.324   8.7053  284.593   7.9986 -2.268524 11.82198 
1 1 1  -27   11    9 o  590.591   7.8258  944.752   24.965  914.913   34.755  976.561   35.884  580.963   11.071  600.219   11.064 -19.25531 15.65154 
1 1 1  -27   11   10 o  125.863   8.9080   43.671   5.9264   39.160   9.1078   46.983   7.8048  120.071   14.037  131.654   10.971 -11.58343 17.81595 
1 1 1  -27   11   11 o  370.465   6.1094  371.966   12.216  360.953   17.537  382.345   17.026  365.111   8.8889  375.819   8.3838 -10.70862 12.21889 
1 1 1  -27   11   12 f  300.179   5.9712  244.353   9.6647  236.401   13.997  251.599   13.361  295.480   8.7664  304.877   8.1100 -9.397552 11.94247 
1 1 1  -27   11   13 f  201.055   6.6521  108.586   7.1683  116.355   10.995  102.842   9.4536  207.235   9.8186  194.874   8.9775 12.36174 13.30418 
1 1 1  -27   11   14 o  293.092   6.0449  232.682   9.5139  231.848   14.261  233.350   12.772  292.583   9.0199  293.602   8.0501 -1.018097 12.08978 
1 1 1  -27   11   15 o  159.294   7.9099   70.400   6.6019   61.359   10.300   76.705   8.6010  150.326   12.680  168.261   9.4596 -17.93559 15.81981 
1 1 1  -27   11   16 o  224.258   9.1532  146.488   9.4529  117.365   18.184  157.273   11.066  207.533   16.215  240.984   8.4977 -33.45071 18.30634 
1 1 1  -27   11   17 o  282.556   6.1034  215.940   9.2689  219.362   13.894  213.196   12.442  284.534   9.0365  280.577   8.2066 3.957428 12.20678 
1 1 1  -27   11   18 o  178.538   9.1689   88.857   8.4017   94.480   10.562   79.167   13.865  186.619   10.474  170.458   15.052 16.16048 18.33773 
1 1 1  -27   11   19 o  431.207   6.5719  504.197   15.303  501.072   22.004  507.124   21.297  429.884   9.4725  432.530   9.1121 -2.645325 13.14381 
1 1 1  -27   11   20 o  205.698   8.8048  115.318   9.7625  107.297   13.918  123.086   13.697  198.586   12.970  212.811   11.911 -14.22540 17.60959 
1 1 1  -27   11   21 o  108.110   14.043   32.707   8.0065   31.937   11.729   33.378   10.956  105.883   21.239  110.337   18.376 -4.453308 28.08504 
1 1 1  -27   11   22 o  369.124   8.5009  370.281   16.934  376.351   24.661  364.865   23.294  371.933   12.271  366.314   11.768 5.618439 17.00172 
1 1 1  -27   11   23 o  117.273   12.702   41.667   6.7969   31.194   12.379   46.186   8.1323  104.228   22.628  130.320   11.548 -26.09219 25.40485 
1 1 1  -27   11   24 o  379.395   6.1696  390.629   12.628  387.848   18.357  393.127   17.398  378.067   8.9856  380.724   8.4566 -2.657593 12.33917 
1 1 1  -27   11   25 o  294.670   6.0062  236.523   9.5177  224.043   13.931  247.449   13.034  287.279   8.9738  302.061   7.9855 -14.78284 12.01241 
1 1 1  -27   11   26 o   78.184   18.458   14.109   9.0864   25.090   15.316   8.1441   11.287   93.350   28.078   63.017   23.968 30.33282 36.91673 
1 1 1  -27   11   27 o  197.825   10.016  102.168   10.342  126.351   17.620   89.459   12.773  214.673   15.189  180.978   13.061 33.69492 20.03276 
1 1 1  -27   11   28 o  338.417   7.2819  310.296   12.866  306.588   16.183  316.667   21.213  335.976   8.9138  340.858   11.517 -4.881104 14.56378 
1 1 1  -27   11   29 o   67.742   13.342   10.644   5.7308   23.283   8.9481   1.8550   7.4621   90.057   18.986   45.428   18.750 44.62985 26.68355 
1 1 1  -27   11   30 o  158.739   7.4884   69.822   6.3163   59.130   9.3052   78.957   8.6016  147.127   11.704  170.351   9.3443 -23.22368 14.97682 
1 1 1  -27   11   31 o  237.360   6.2463  153.384   7.9697  152.203   11.868  154.354   10.755  236.441   9.2892  238.279   8.3533 -1.838043 12.49265 
1 1 1  -27   11   32 o  149.231   8.0336   60.048   6.4297   70.921   9.7385   51.645   8.5608  161.065   11.189  137.396   11.531 23.66942 16.06725 
1 1 1  -27   11   33 o  174.665   7.0074   82.202   6.5357   89.733   10.212   76.976   8.5060  181.268   10.425  168.062   9.3663 13.20662 14.01488 
1 1 1  -27   11   34 o  176.383   7.0131   85.615   6.6121   79.292   9.8802   90.744   8.8985  170.281   10.738  182.485   9.0241 -12.20432 14.02619 
1 1 1  -27   11   35 o  183.537   6.8903   92.439   6.8001   86.195   9.8917   98.033   9.3636  177.513   10.312  189.560   9.1413 -12.04709 13.78064 
1 1 1  -27   11   36 o   94.317   11.824   25.017   5.8822   27.698   8.8958   22.934   7.8409   99.483   16.548   89.152   16.894 10.33072 23.64880 
1 1 1  -27   11   37 o  168.796   7.2313   79.244   6.4902   69.310   9.6727   87.379   8.7532  158.771   11.274  178.820   9.0586 -20.04828 14.46262 
1 1 1  -27   11   38 o   62.055   12.822   8.5345   5.2959   20.396   8.2220   0.1237   6.9234   83.261   18.728   40.849   17.518 42.41130 25.64450 
1 1 1  -27   11   39 o  108.375   9.9941   33.331   5.6964   29.726   8.8395   35.891   7.4495  102.824   15.909  113.925   12.101 -11.10124 19.98828 
1 1 1  -27   11   40 o  185.491   6.7951   94.103   6.7637   97.831   10.265   91.243   8.9916  188.573   10.074  182.408   9.1223 6.165100 13.59022 
1 1 1  -27   11   41 o  104.436   11.587   32.790   6.0229   20.862   8.6997   43.769   8.3466   83.373   19.634  125.499   12.308 -42.12585 23.17317 
1 1 1  -27   11   42 o  162.194   7.5919   73.722   6.5612   63.079   9.5856   83.104   8.9999  150.651   11.775  173.737   9.5864 -23.08617 15.18389 
1 1 1  -27   11   43 o   89.132   12.330   24.002   5.7307   18.076   8.4899   28.961   7.7672   76.975   20.168  101.290   14.191 -24.31571 24.66060 
1 1 1  -27   11   44 o   66.329   14.627   12.604   5.8335   17.299   9.0496   9.2657   7.6304   74.966   21.324   57.691   20.026 17.27495 29.25338 
1 1 1  -27   11   45 o   81.305   13.622   19.453   5.8586   25.692   9.2545   15.280   7.5682   91.907   19.251   70.703   19.278 21.20426 27.24451 
1 1 1  -27   11   46 o   39.379   12.596  -2.8292   5.6461  -3.2711   8.8774  -2.5291   7.3166   41.008   18.582   37.750   17.009 3.257946 25.19116 
1 1 1  -27   11   47 o   94.810   11.655   26.282   5.8283   28.947   8.8251   24.220   7.7618   99.635   16.392   89.986   16.573 9.649231 23.30988 
1 1 1  -27   11   48 o   58.811   14.881   9.3174   6.0626   13.394   9.1235   6.0939   8.1128   65.983   21.912   51.638   20.141 14.34519 29.76192 
1 1 1  -27   11   49 o  166.830   7.8407   78.397   7.0375   75.692   10.329   80.741   9.6148  163.792   11.670  169.868   10.475 -6.075287 15.68131 
1 1 1  -27   11   50 f   47.357   14.024   1.8476   6.2556   7.5966   9.1735  -3.1496   8.5526   54.932   21.419   39.782   18.109 15.14999 28.04832 
1 1 1  -27   11   51 f   66.999   15.052   13.858   6.3051   20.358   9.5501   8.8357   8.3947   78.291   21.780   55.706   20.782 22.58494 30.10385 
1 1 1  -27   11   52 o  107.023   12.342   34.651   6.6848   51.502   10.229   22.088   8.8319  132.128   14.326   81.918   20.102 50.21011 24.68485 
1 1 1  -27   11   55 o   75.461   15.254   9.7917   8.1981   50.833   15.005  -7.6734   9.7882  114.323   24.987   36.599   17.504 77.72395 30.50772 
1 1 1  -27   11   56 o   46.533   14.378   2.4572   6.9437  -0.7793   10.081   5.3792   9.5783   43.485   19.742   49.581   20.907 -6.095661 28.75512 
1 1 1  -27   11   57 o  146.090   10.070   67.097   7.7576   58.299   11.671   74.060   10.383  134.902   16.010  157.278   12.217 -22.37604 20.13943 
1 1 1  -27   12    1 o  360.884   8.2956  352.566   16.177   0.0000   0.0000  352.566   16.177  ?   ?   360.884   8.2956      ?      ? 
1 1 1  -27   12    2 o  156.712   7.4198   66.585   6.2314   66.358   9.4290   66.761   8.3031  156.443   11.154  156.981   9.7882 -0.5377502 14.83961 
1 1 1  -27   12    3 o  176.153   7.0558   82.339   6.6461   97.926   10.315   71.274   8.6905  190.110   10.041  162.195   9.9156 27.91515 14.11164 
1 1 1  -27   12    4 o  147.863   7.7739   58.825   6.1500   62.349   9.4930   56.276   8.0732  151.623   11.586  144.104   10.368 7.519836 15.54786 
1 1 1  -27   12    5 o  258.771   6.1011  181.839   8.4785  176.060   12.601  186.619   11.461  254.970   9.1456  262.573   8.0778 -7.602921 12.20217 
1 1 1  -27   12    6 f  184.762   6.7797   91.309   6.6935  100.050   10.434   85.197   8.7256  192.157   10.049  177.367   9.1041 14.79034 13.55947 
1 1 1  -27   12    7 o  175.417   7.1056   83.844   6.6594   80.004   10.078   86.822   8.8727  171.788   10.856  179.045   9.1707 -7.256836 14.21122 
1 1 1  -27   12    8 o  425.370   6.5152  490.340   14.962  482.990   21.531  497.203   20.807  422.260   9.4360  428.479   8.9864 -6.218994 13.03049 
1 1 1  -27   12    9 o  206.508   6.5922  114.832   7.3016  120.915   11.134  110.242   9.6717  211.253   9.7536  201.763   8.8710 9.490372 13.18433 
1 1 1  -27   12   10 o  326.401   5.9698  288.589   10.507  286.483   15.337  290.451   14.423  325.255   8.7264  327.547   8.1487 -2.292114 11.93951 
1 1 1  -27   12   11 o   75.703   14.060   14.764   6.0794   25.120   9.5756   7.7707   7.8686   94.182   19.459   57.225   20.299 36.95705 28.11963 
1 1 1  -27   12   12 o  335.191   6.0608  303.905   10.910  307.526   16.409  301.037   14.606  336.936   9.0125  333.445   8.1061 3.491272 12.12165 
1 1 1  -27   12   13 o  339.350   6.1174  312.687   11.172  302.259   16.395  321.727   15.265  334.011   9.0840  344.688   8.1957 -10.67719 12.23471 
1 1 1  -27   12   14 o  367.433   6.2229  366.270   12.324  357.909   17.965  373.703   16.938  363.426   9.1478  371.440   8.4389 -8.013458 12.44581 
1 1 1  -27   12   15 o  108.041   10.880   31.704   6.1930   32.319   9.9730   31.318   7.9009  108.789   16.965  107.293   13.627 1.495888 21.76050 
1 1 1  -27   12   16 o  140.161   13.751   53.470   10.415   53.470   10.415   0.0000   0.0000  140.161   13.751  ?   ?       ?      ? 
1 1 1  -27   12   17 o   44.061   14.491  -6.0737   7.0191 -20.2613   16.246  -2.8173   7.7831   47.941   22.823   40.181   17.863 7.760635 28.98258 
1 1 1  -27   12   18 o  124.369   12.445   42.135   8.3405   46.577   12.263   38.311   11.378  130.457   17.395  118.281   17.801 12.17643 24.88911 
1 1 1  -27   12   19 o  268.316   11.918  195.743   17.280  195.743   17.280   0.0000   0.0000  268.316   11.918  ?   ?       ?      ? 
1 1 1  -27   12   20 o   67.809   14.906   7.1393   7.6539   25.090   11.260  -8.2793   10.436   93.441   22.557   42.178   19.493 51.26331 29.81274 
1 1 1  -27   12   21 o  283.728   7.2215  216.255   10.385  225.450   18.344  211.917   12.599  287.876   11.792  279.580   8.3394 8.295898 14.44300 
1 1 1  -27   12   22 o  194.262   6.8390  103.051   7.0645   99.023   10.897  105.972   9.2788  190.875   10.565  197.648   8.6878 -6.772888 13.67804 
1 1 1  -27   12   23 o  391.882   6.2792  417.197   13.275  410.048   19.238  423.693   18.341  388.617   9.1613  395.147   8.5897 -6.530029 12.55839 
1 1 1  -27   12   24 o  234.335   6.4041  148.927   8.0300  150.594   12.273  147.680   10.618  235.398   9.6484  233.271   8.4238 2.126984 12.80828 
1 1 1  -27   12   25 o  154.082   11.138   65.282   7.8009   64.932   16.204   65.387   8.9001  153.156   19.580  155.007   10.626 -1.851242 22.27695 
1 1 1  -27   12   26 f  269.009   8.9399  197.360   12.788  198.649   19.969  196.464   16.650  269.509   13.712  268.509   11.475 0.9993896 17.87975 
1 1 1  -27   12   27 o  142.174   12.818   53.944   9.6763   68.153   15.462   44.797   12.406  157.017   18.224  127.331   18.030 29.68630 25.63593 
1 1 1  -27   12   28 f  139.694   8.2090   52.486   6.1044   57.708   9.6608   49.015   7.8759  145.305   12.304  134.084   10.870 11.22125 16.41794 
1 1 1  -27   12   29 o  177.260   7.0764   86.086   6.6392   83.186   10.405   88.078   8.6224  174.567   11.031  179.953   8.8671 -5.385544 14.15282 
1 1 1  -27   12   30 o  245.454   8.4331  163.843   11.185   0.0000   0.0000  163.843   11.185  ?   ?   245.454   8.4331      ?      ? 
1 1 1  -27   12   31 o   83.383   13.484   20.190   5.9242   19.843   8.8105   20.477   8.0037   82.546   19.969   84.220   18.124 -1.673729 26.96755 
1 1 1  -27   12   32 o   46.529   13.670   1.4537   5.8065  -2.9102   8.9860   4.5820   7.6081   43.013   19.154   50.046   19.508 -7.033199 27.33936 
1 1 1  -27   12   33 o   71.496   13.990   14.006   5.8404   21.738   8.8155   7.9581   7.7971   86.372   19.366   56.619   20.194 29.75389 27.97911 
1 1 1  -27   12   34 o  200.443   6.5748  109.570   7.0483  110.518   10.785  108.863   9.3123  201.054   9.9267  199.832   8.6239 1.221786 13.14951 
1 1 1  -27   12   35 o  119.016   9.4537   38.154   5.9915   45.599   9.5115   33.257   7.7144  128.315   13.718  109.717   13.012 18.59824 18.90736 
1 1 1  -27   12   36 o   71.293   13.368   15.352   5.6552   6.9694   8.5436   21.889   7.5444   55.563   20.919   87.023   16.650 -31.46046 26.73624 
1 1 1  -27   12   37 o   65.304   14.226   12.405   5.5370   10.548   8.4845   13.783   7.3076   62.090   21.133   68.517   19.049 -6.426380 28.45117 
1 1 1  -27   12   38 o   63.570   14.434   11.581   5.5545   10.841   8.9484   12.045   7.0846   62.902   21.695   64.237   19.046 -1.334656 28.86872 
1 1 1  -27   12   39 o  111.326   10.130   34.817   5.9387   34.307   9.4723   35.148   7.6230  110.187   15.909  112.466   12.543 -2.278519 20.25907 
1 1 1  -27   12   40 f   77.176   13.811   17.374   5.6640   20.719   9.1017   15.260   7.2357   82.815   20.459   71.537   18.559 11.27823 27.62243 
1 1 1  -27   12   41 f   54.921   13.715   7.5374   5.4611   1.6795   8.2689   12.069   7.2729   45.992   19.411   63.849   19.381 -17.85712 27.43012 
1 1 1  -27   12   42 o  170.883   7.2377   80.841   6.6487   79.617   9.8720   81.856   8.9945  169.486   10.779  172.280   9.6617 -2.793961 14.47542 
1 1 1  -27   12   43 o  125.614   9.3332   42.902   6.2023   57.572   9.7119   32.799   8.0600  143.402   12.533  107.827   13.833 35.57449 18.66647 
1 1 1  -27   12   44 o   40.096   12.691  -2.2051   5.5589  -1.1415   8.6989  -2.9392   7.2271   43.048   19.023   37.143   16.804 5.904163 25.38231 
1 1 1  -27   12   45 o  149.359   8.0986   61.670   6.4241   66.449   10.209   58.536   8.2658  153.702   12.292  145.016   10.548 8.685913 16.19729 
1 1 1  -27   12   46 o  101.480   11.464   29.827   6.2712   32.238   9.2632   27.787   8.5209  105.212   16.293   97.748   16.132 7.464157 22.92847 
1 1 1  -27   12   47 o   44.498   13.540   0.9349   5.9284  -1.2576   8.8058   2.7524   8.0176   42.805   19.017   46.192   19.280 -3.387066 27.08037 
1 1 1  -27   12   48 o   43.929   13.612  -0.1990   6.1863   1.7210   9.0299  -1.8971   8.4922   46.662   20.009   41.196   18.462 5.466354 27.22471 
1 1 1  -27   12   49 f   94.318   13.390   26.944   6.5237   33.791   10.224   22.242   8.4728  104.467   18.802   84.168   19.071 20.29922 26.78077 
1 1 1  -27   12   50 o   54.799   14.734   6.2661   6.3670   14.329   9.7289   0.2260   8.4206   66.582   22.630   43.017   18.873 23.56533 29.46754 
1 1 1  -27   12   51 o   60.578   15.387   11.264   6.3916   14.937   9.8516   8.5942   8.3992   66.528   22.772   54.628   20.700 11.89972 30.77420 
1 1 1  -27   12   54 o   44.419   21.571 -12.3964   16.289 -12.3964   16.289   0.0000   0.0000   44.419   21.571  ?   ?       ?      ? 
1 1 1  -27   12   55 o  124.427   11.338   48.243   7.5187   46.505   11.418   49.572   9.9903  120.926   17.474  127.928   14.452 -7.001465 22.67604 
1 1 1  -27   12   56 f   81.462   15.821   25.270   7.2400   22.467   10.603   27.718   9.9097   75.552   23.487   87.373   21.204 -11.82058 31.64230 
1 1 1  -27   13    1 o   60.677   14.527   9.3432   5.7665   6.3858   8.6433   11.716   7.7412   55.997   21.049   65.357   20.027 -9.359859 29.05395 
1 1 1  -27   13    2 o  562.619   10.643  858.428   32.356   0.0000   0.0000  858.428   32.356  ?   ?   562.619   10.643      ?      ? 
1 1 1  -27   13    3 o  366.281   6.1930  363.751   12.244  353.537   17.573  373.388   17.070  361.253   9.0020  371.309   8.5074 -10.05588 12.38600 
1 1 1  -27   13    4 o  358.992   6.1469  349.375   11.910  341.236   17.136  356.981   16.566  354.919   8.9351  363.066   8.4439 -8.146393 12.29376 
1 1 1  -27   13    5 o   50.029   13.718   3.0195   5.6958  -2.9611   8.2449   8.4796   7.8779   41.425   18.402   58.633   20.348 -17.20831 27.43527 
1 1 1  -27   13    7 o  174.326   7.2930   81.992   6.8317   86.149   10.315   78.743   9.1185  178.218   10.711  170.433   9.9011 7.785065 14.58602 
1 1 1  -27   13    8 o  260.605   6.2583  184.997   8.7612  171.633   12.799  196.782   12.018  251.654   9.4119  269.557   8.2511 -17.90260 12.51656 
1 1 1  -27   13    9 o  377.167   6.2635  386.012   12.735  375.790   18.520  395.180   17.540  372.382   9.2037  381.952   8.4981 -9.570709 12.52703 
1 1 1  -27   13   10 o  216.227   6.7084  125.189   7.7622  137.585   12.027  116.340   10.162  225.258   9.8809  207.195   9.0761 18.06264 13.41671 
1 1 1  -27   13   11 o  141.777   8.9063   56.621   6.5480   45.865   10.204   64.152   8.5378  129.771   14.551  153.784   10.274 -24.01291 17.81268 
1 1 1  -27   13   12 o  219.611   6.6021  130.368   7.7354  133.128   11.985  128.396   10.127  221.542   10.011  217.680   8.6096 3.862381 13.20421 
1 1 1  -27   13   13 o  212.874   6.6014  122.135   7.5416  128.883   11.471  116.997   10.009  217.990   9.7383  207.759   8.9151 10.23085 13.20279 
1 1 1  -27   13   14 o  230.370   6.5172  144.695   8.0336  137.536   12.067  150.393   10.766  225.160   9.9180  235.579   8.4574 -10.41971 13.03437 
1 1 1  -27   13   15 o   65.075   15.531   10.225   6.7642   4.8964   9.4573   15.806   9.6785   55.043   21.664   75.106   22.259 -20.06313 31.06132 
1 1 1  -27   13   16 o  280.959   8.0808  213.128   12.180  225.676   18.567  203.649   16.138  288.099   11.926  273.819   10.907 14.27966 16.16155 
1 1 1  -27   13   17 o  194.868   9.4334  104.672   9.7048   97.162   15.140  109.910   12.644  188.674   14.850  201.062   11.638 -12.38835 18.86672 
1 1 1  -27   13   18 o   66.819   23.070   11.313   10.120   0.0000   0.0000   11.313   10.120  ?   ?    66.819   23.070      ?      ? 
1 1 1  -27   13   19 o  115.443   15.249   39.828   9.1212   61.464   12.876   18.034   12.923  149.856   15.901   81.030   26.025 68.82619 30.49830 
1 1 1  -27   13   20 o  301.643   7.4236  248.415   11.739  251.914   14.953  242.793   18.953  304.654   9.0828  298.632   11.745 6.022675 14.84713 
1 1 1  -27   13   21 o   35.729   11.922  -9.3682   6.0049 -12.9496   9.3043  -6.8115   7.8613   35.393   16.963   36.065   16.756 -0.6726494 23.84352 
1 1 1  -27   13   22 o  282.285   6.1445  216.003   9.2815  218.637   14.186  214.031   12.273  283.697   9.2535  280.873   8.0866 2.824432 12.28897 
1 1 1  -27   13   23 o  102.224   11.221   27.054   5.8343   40.496   9.7468   19.549   7.2832  121.573   14.837   82.874   16.838 38.69814 22.44188 
1 1 1  -27   13   24 o  175.096   10.124   85.354   8.0155   81.306   16.594   86.586   9.1543  171.697   17.886  178.495   9.4910 -6.798584 20.24782 
1 1 1  -27   13   25 o   83.228   18.208   19.977   8.9166   15.730   15.309   22.158   10.969   79.057   28.285   87.400   22.937 -8.342987 36.41671 
1 1 1  -27   13   26 o  377.265   9.0921  390.307   18.451  377.928   27.170  400.901   25.135  371.448   13.536  383.081   12.142 -11.63293 18.18420 
1 1 1  -27   13   27 o  105.878   11.476   32.049   6.1598   28.528   9.7896   34.357   7.9254   99.783   18.847  111.972   13.099 -12.18890 22.95145 
1 1 1  -27   13   28 o  218.865   6.4920  130.262   7.5315  131.139   11.881  129.673   9.7380  219.322   10.025  218.408   8.2511 0.9139252 12.98400 
1 1 1  -27   13   29 o  186.458   6.9695   94.975   6.8989   93.820   10.778   95.778   8.9796  185.332   10.762  187.584   8.8588 -2.252045 13.93906 
1 1 1  -27   13   30 o  114.100   10.068   34.912   6.1230   43.000   9.6192   29.402   7.9392  124.909   14.251  103.291   14.224 21.61829 20.13522 
1 1 1  -27   13   31 f  321.971   6.0552  283.237   10.486  269.273   15.348  295.463   14.361  314.363   9.0351  329.578   8.0640 -15.21536 12.11032 
1 1 1  -27   13   32 o  169.829   7.4252   78.027   6.6884   83.358   10.665   74.571   8.5869  174.388   11.317  165.270   9.6151 9.118378 14.85042 
1 1 1  -27   13   33 o  154.018   7.8043   65.995   6.3277   60.587   9.9087   69.720   8.2228  148.316   12.364  159.721   9.5273 -11.40520 15.60854 
1 1 1  -27   13   34 o  219.702   6.4556  131.527   7.5199  133.777   11.880  130.023   9.7134  221.035   9.9467  218.369   8.2318 2.665833 12.91122 
1 1 1  -27   13   35 o  147.191   8.0087   59.908   6.2424   58.003   9.7672   61.224   8.1164  144.921   12.472  149.460   10.050 -4.538498 16.01740 
1 1 1  -27   13   36 o  204.061   6.5281  111.818   7.0649  124.899   11.349  103.542   9.0273  213.444   9.8399  194.678   8.5813 18.76630 13.05616 
1 1 1  -27   13   37 o  148.139   7.9256   60.902   6.2239   58.563   9.6863   62.547   8.1226  145.380   12.330  150.898   9.9615 -5.517975 15.85117 
1 1 1  -27   13   38 o   98.970   11.369   28.264   5.7723   27.210   9.1452   28.962   7.4421   96.103   18.278  101.838   13.524 -5.734940 22.73754 
1 1 1  -27   13   39 f  190.301   6.9267   99.432   7.0523  101.147   10.795   98.155   9.3150  191.501   10.432  189.103   9.1159 2.397812 13.85338 
1 1 1  -27   13   40 o   39.132   12.304  -4.0319   5.6860 -13.5261   8.9154   2.4778   7.3822   33.162   16.070   45.102   18.635 -11.94027 24.60715 
1 1 1  -27   13   41 o   92.149   12.512   24.090   6.0415   30.814   9.5518   19.607   7.8000  103.484   17.081   80.815   18.288 22.66882 25.02465 
1 1 1  -27   13   42 o  138.559   9.0222   53.200   6.7088   59.379   10.248   48.567   8.8748  145.403   13.043  131.715   12.469 13.68767 18.04442 
1 1 1  -27   13   43 o   45.940   13.763   1.8388   5.8712   0.9750   9.0792   2.4596   7.6971   46.437   19.991   45.444   18.923 0.9930496 27.52629 
1 1 1  -27   13   44 o  144.929   8.8519   59.147   6.7798   59.295   10.756   59.049   8.7329  144.451   13.780  145.407   11.114 -0.9561157 17.70376 
1 1 1  -27   13   45 o   50.610   14.443   3.8321   6.2139   9.0894   9.4351  -0.1950   8.2577   58.418   21.985   42.802   18.737 15.61600 28.88619 
1 1 1  -27   13   46 o   97.690   13.227   29.263   6.7096   26.390   10.306   31.376   8.8395   91.372   21.271  104.007   15.728 -12.63508 26.45467 
1 1 1  -27   13   47 o   70.720   14.811   16.220   6.3192   10.563   9.8111   20.230   8.2609   60.912   22.518   80.528   19.246 -19.61552 29.62196 
1 1 1  -27   13   48 o   89.472   13.789   24.880   6.4441   28.393   9.7970   22.201   8.5554   94.960   19.737   83.983   19.262 10.97722 27.57840 
1 1 1  -27   13   49 o   48.162   12.792  -0.1924   6.2148 -20.5108   9.7523   13.702   8.0645   30.828   15.301   65.496   20.503 -34.66783 25.58308 
1 1 1  -27   13   50 o   64.645   14.746   14.000   6.3508   6.7265   9.9678   18.971   8.2398   53.357   21.805   75.934   19.856 -22.57737 29.49122 
1 1 1  -27   13   51 o   62.332   18.026   9.2408   10.589  -5.4707   17.277   18.090   13.400   52.654   24.588   72.010   26.365 -19.35677 36.05133 
1 1 1  -27   13   54 o  130.060   10.596   52.444   7.2844   46.929   11.041   56.694   9.6932  122.019   16.746  138.101   12.989 -16.08133 21.19274 
1 1 1  -27   13   55 o   73.465   15.775   20.410   6.8355   19.016   10.399   21.471   9.0708   70.034   23.398   76.896   21.163 -6.862511 31.54910 
1 1 1  -27   14    1 o  216.311   6.5864  126.379   7.6688  132.158   11.454  121.684   10.324  220.751   9.6024  211.870   9.0176 8.881165 13.17283 
1 1 1  -27   14    2 o  256.105   6.2546  178.465   8.6219  164.821   12.405  191.214   11.991  246.557   9.3112  265.655   8.3534 -19.09818 12.50915 
1 1 1  -27   14    3 o  156.699   7.9640   68.013   6.6063   57.274   9.8504   76.792   8.9061  145.135   12.560  168.263   9.7952 -23.12845 15.92806 
1 1 1  -27   14    4 o  222.368   6.4922  133.960   7.7723  135.131   11.519  132.982   10.531  223.228   9.5495  221.508   8.7978 1.720459 12.98440 
1 1 1  -27   14    5 o  418.962   9.0297  475.820   20.443   0.0000   0.0000  475.820   20.443  ?   ?   418.962   9.0297      ?      ? 
1 1 1  -27   14    6 o  139.488   8.5114   52.352   6.3776   60.927   9.5322   45.402   8.5812  149.743   11.780  129.233   12.288 20.51015 17.02284 
1 1 1  -27   14    7 f  219.984   6.5066  131.043   7.7108  133.238   11.400  129.191   10.469  221.654   9.5182  218.315   8.8739 3.339081 13.01314 
1 1 1  -27   14    8 o   68.738   14.664   12.821   5.8975   15.710   8.9269   10.584   7.8560   74.587   21.166   62.889   20.301 11.69800 29.32849 
1 1 1  -27   14    9 o  418.872   6.5670  476.125   14.853  462.772   21.216  488.960   20.800  413.072   9.5049  424.672   9.0642 -11.60016 13.13406 
1 1 1  -27   14   10 o  185.498   7.1650   92.831   7.1397   98.246   10.809   88.639   9.5092  190.238   10.515  180.759   9.7355 9.479446 14.32995 
1 1 1  -27   14   11 o  319.810   6.2708  278.224   10.799  256.503   15.467  298.888   15.085  307.533   9.3072  332.087   8.4065 -24.55402 12.54167 
1 1 1  -27   14   12 o  184.426   7.3582   92.973   7.2523   87.568   10.915   97.245   9.7041  179.519   11.252  189.333   9.4851 -9.814224 14.71640 
1 1 1  -27   14   13 o  278.073   8.0444  210.235   12.021  209.527   17.947  210.811   16.190  277.560   11.966  278.585   10.755 -1.025360 16.08884 
1 1 1  -27   14   14 o  232.305   8.5703  147.459   10.629  142.500   16.189  151.216   14.092  228.721   13.099  235.888   11.056 -7.167160 17.14068 
1 1 1  -27   14   15 o  295.579   8.2091  233.329   12.920  262.387   20.481  214.122   16.651  310.483   12.207  280.674   10.979 29.80899 16.41822 
1 1 1  -27   14   16 o   86.694   14.779   22.019   7.8960   4.9189   11.916   35.405   10.543   59.787   24.056  113.600   17.175 -53.81298 29.55734 
1 1 1  -27   14   17 o  136.048   12.534   59.508   7.5789   33.063   12.756   73.936   9.4223  107.182   22.730  164.913   10.573 -57.73021 25.06851 
1 1 1  -27   14   18 o  340.387   8.4444  322.844   13.609  300.676   26.206  331.030   15.925  331.485   14.630  349.289   8.4375 -17.80313 16.88878 
1 1 1  -27   14   19 o   56.971   17.000   3.0792   7.3092  -0.7126   17.399   3.8918   8.0544   63.728   27.553   50.215   19.920 13.51343 33.99975 
1 1 1  -27   14   20 o  168.574   9.3037   75.817   8.3128   68.964   10.589   86.824   13.420  158.992   12.325  178.156   13.940 -19.16364 18.60748 
1 1 1  -27   14   21 o  165.182   9.4078   75.320   8.2685   79.774   10.988   69.505   12.555  171.058   11.887  159.307   14.585 11.75114 18.81563 
1 1 1  -27   14   22 o  127.341   9.6409   44.485   6.5386   43.517   10.078   45.188   8.5928  126.004   14.801  128.679   12.358 -2.674797 19.28179 
1 1 1  -27   14   23 o   71.290   17.770   10.954   7.2111   17.946   15.957   9.1598   8.0836   82.731   28.946   59.848   20.621 22.88278 35.53969 
1 1 1  -27   14   24 o   45.417   15.202 -17.3386   9.3923  -6.5225   15.562 -23.5360   11.780   55.073   24.810   35.762   17.573 19.31084 30.40316 
1 1 1  -27   14   25 o  206.938   10.475  119.374   11.340  111.081   18.125  124.707   14.536  200.441   16.734  213.434   12.603 -12.99327 20.94938 
1 1 1  -27   14   26 o  225.179   8.4070  137.867   10.230   0.0000   0.0000  137.867   10.230  ?   ?   225.179   8.4070      ?      ? 
1 1 1  -27   14   27 o  145.000   8.2817   56.069   6.4054   68.573   10.036   47.476   8.3203  158.287   11.734  131.713   11.690 26.57396 16.56342 
1 1 1  -27   14   28 o   55.294   14.526   6.7946   5.8801   3.6662   9.0413   9.0877   7.7407   51.651   20.893   58.937   20.185 -7.286701 29.05112 
1 1 1  -27   14   29 o   72.111   14.506   14.913   5.8222   15.631   9.3202   14.453   7.4559   73.593   21.851   70.630   19.084 2.962425 29.01110 
1 1 1  -27   14   30 o  105.363   10.904   30.247   6.1173   33.842   9.6921   27.866   7.8867  110.327   16.257  100.398   14.537 9.929153 21.80891 
1 1 1  -27   14   31 o  135.896   8.7081   50.567   6.3232   52.490   9.7706   49.181   8.2944  137.944   13.108  133.849   11.468 4.095581 17.41629 
1 1 1  -27   14   32 o  156.592   8.0027   67.722   6.6092   65.725   10.471   69.045   8.5209  154.361   12.554  158.822   9.9286 -4.461472 16.00534 
1 1 1  -27   14   33 o  133.765   8.9286   49.637   6.3250   48.249   9.9034   50.593   8.2198  131.872   13.898  135.659   11.213 -3.786591 17.85726 
1 1 1  -27   14   34 o  131.441   9.0380   48.821   6.1513   43.807   9.9534   51.919   7.8244  125.369   14.692  137.512   10.530 -12.14255 18.07601 
1 1 1  -27   14   35 o   40.738   12.910  -4.3342   5.7337   1.3295   9.4358  -7.6498   7.2195   48.627   20.641   32.850   15.513 15.77708 25.82048 
1 1 1  -27   14   36 o   88.191   13.099   23.207   5.9613   20.498   9.7183   24.841   7.5482   82.298   21.586   94.085   14.847 -11.78719 26.19878 
1 1 1  -27   14   37 o  230.133   6.4733  145.870   7.9474  141.656   12.150  149.021   10.507  226.914   9.9088  233.352   8.3326 -6.437485 12.94668 
1 1 1  -27   14   38 o   35.140   11.694  -8.3872   5.6102  -4.3001   8.7104 -11.2845   7.3339   40.101   18.262   30.180   14.613 9.921406 23.38896 
1 1 1  -27   14   39 f  127.799   9.4064   46.439   6.2383   43.363   10.153   48.305   7.9069  123.632   15.198  131.965   11.088 -8.333382 18.81272 
1 1 1  -27   14   40 o   64.746   14.887   11.366   5.8734   16.959   9.7225   8.1526   7.3702   74.280   22.377   55.212   19.639 19.06784 29.77333 
1 1 1  -27   14   41 o  140.829   8.8081   55.047   6.5353   57.848   10.580   53.319   8.3101  143.187   13.674  138.471   11.106 4.715759 17.61621 
1 1 1  -27   14   42 o   52.809   14.487   6.0015   6.1489   0.6990   9.7584   9.4932   7.9188   47.508   20.588   58.110   20.388 -10.60240 28.97419 
1 1 1  -27   14   43 o   89.205   13.919   24.841   6.4586   22.524   10.058   26.467   8.4252   84.354   21.880   94.055   17.211 -9.700241 27.83812 
1 1 1  -27   14   44 o   54.005   14.790   6.1124   6.1267   10.890   9.7506   2.9959   7.8755   61.738   22.507   46.273   19.194 15.46499 29.58006 
1 1 1  -27   14   45 o   42.449   13.002  -6.2090   6.0860   7.7294   9.4759 -15.9955   7.9401   56.214   21.811   28.685   14.159 27.52942 26.00339 
1 1 1  -27   14   46 o   59.095   14.405   7.0570   6.2247   19.303   9.8525  -1.0784   8.0305   77.197   22.342   40.994   18.188 36.20281 28.80910 
1 1 1  -27   14   47 o   83.321   13.614   23.859   6.6679   8.9676   10.460   34.055   8.6545   58.462   22.850  108.181   14.805 -49.71877 27.22725 
1 1 1  -27   14   48 o  110.725   11.313   35.847   6.6588   38.934   10.548   33.802   8.5857  113.923   17.135  107.527   14.777 6.396187 22.62645 
1 1 1  -27   14   49 o   99.333   13.720   30.975   7.0226   37.665   11.024   26.406   9.1104  108.203   19.575   90.462   19.230 17.74113 27.44004 
1 1 1  -27   14   50 o   85.202   30.951   29.077   18.414   29.077   18.414   0.0000   0.0000   85.202   30.951  ?   ?       ?      ? 
1 1 1  -27   14   53 o   82.014   14.192   25.083   7.3471   9.3423   11.207   36.948   9.7296   55.790   22.997  108.238   16.635 -52.44728 28.38301 
1 1 1  -27   14   54 o   84.974   15.845   26.693   7.3435   26.469   11.254   26.859   9.6908   82.905   23.845   87.044   20.873 -4.139359 31.68997 
1 1 1  -27   15    1 o  209.354   6.6636  119.420   7.4888  113.861   11.095  124.071   10.150  204.802   10.026  213.905   8.7808 -9.102798 13.32722 
1 1 1  -27   15    2 o  333.535   6.3105  302.256   11.352  287.071   16.270  316.660   15.846  325.310   9.2556  341.760   8.5805 -16.45038 12.62108 
1 1 1  -27   15    3 f  105.576   10.800   30.300   6.1295   31.806   9.2304   29.112   8.1979  107.870   15.835  103.283   14.689 4.586784 21.59911 
1 1 1  -27   15    4 o  367.301   8.6582  365.780   17.184   0.0000   0.0000  365.780   17.184  ?   ?   367.301   8.6582      ?      ? 
1 1 1  -27   15    5 o   90.163   12.399   25.168   6.0730   7.1082   8.8792   41.042   8.3245   57.528   21.391  122.798   12.545 -65.26984 24.79808 
1 1 1  -27   15    7 o  198.534   6.8809  107.159   7.3656  103.627   10.669  110.376   10.181  195.368   10.106  201.701   9.3412 -6.332901 13.76182 
1 1 1  -27   15    8 o   67.035   15.073   12.260   6.1635   10.563   9.2122   13.636   8.2930   64.322   22.020   69.748   20.587 -5.426331 30.14520 
1 1 1  -27   15    9 o  396.937   7.6683  427.977   16.068  427.280   20.623  429.054   25.632  396.770   9.6190  397.104   11.945 -0.3345032 15.33657 
1 1 1  -27   15   10 o  331.761   8.1863  299.409   14.666  285.586   20.638  313.513   20.846  323.983   11.788  339.539   11.362 -15.55600 16.37253 
1 1 1  -27   15   11 o  291.672   8.0586  231.241   12.688  234.910   18.419  227.928   17.504  293.836   11.601  289.507   11.189 4.329407 16.11722 
1 1 1  -27   15   12 o  345.330   8.3257  324.909   15.520  310.135   22.050  339.414   21.849  337.473   12.092  353.187   11.448 -15.71417 16.65142 
1 1 1  -27   15   13 o  451.341   9.3820  555.893   22.868  554.730   32.888  556.982   31.820  450.805   13.501  451.877   13.031 -1.071594 18.76398 
1 1 1  -27   15   14 f   50.540   14.571  -1.8770   6.5030   10.065   11.042  -8.2196   8.0467   65.717   23.952   35.362   16.599 30.35486 29.14150 
1 1 1  -27   15   15 o  196.502   7.4104  104.534   7.7427  107.806   12.162  102.304   10.040  198.966   11.312  194.039   9.5757 4.926880 14.82076 
1 1 1  -27   15   16 o  222.290   6.9679  134.171   8.2431  135.254   12.843  133.413   10.750  222.935   10.661  221.645   8.9753 1.290009 13.93584 
1 1 1  -27   15   17 o  232.344   8.7681  146.574   11.008   0.0000   0.0000  146.574   11.008  ?   ?   232.344   8.7681      ?      ? 
1 1 1  -27   15   18 o  174.453   7.6911   81.095   7.1577   94.110   11.278   72.316   9.2625  185.882   11.228  163.024   10.514 22.85829 15.38228 
1 1 1  -27   15   19 o   94.361   17.319   16.993   7.2253   44.775   18.332   11.884   7.8617  123.304   28.134   65.418   20.205 57.88574 34.63811 
1 1 1  -27   15   20 o   59.007   16.990   4.5838   6.9955   5.9459   16.076   4.2657   7.7696   67.871   27.709   50.143   19.668 17.72828 33.97950 
1 1 1  -27   15   21 o   60.954   16.430   5.7736   7.5992   0.8376   9.7327   13.482   12.163   49.589   21.001   72.319   25.273 -22.72936 32.85983 
1 1 1  -27   15   22 o  164.439   12.375   67.416   10.432  103.694   18.574   50.698   12.608  193.488   17.765  135.391   17.234 58.09779 24.75050 
1 1 1  -27   15   23 o  128.727   15.325   46.279   9.9237   50.541   17.000   44.077   12.222  131.462   24.841  125.992   17.952 5.470100 30.64904 
1 1 1  -27   15   24 f  132.310   14.845   47.454   10.298   56.486   17.252   42.455   12.835  141.338   22.589  123.282   19.267 18.05599 29.68999 
1 1 1  -27   15   25 o   96.990   12.787   28.856   6.2232   18.401   9.7639   36.009   8.0762   79.458   21.993  114.523   13.050 -35.06526 25.57349 
1 1 1  -27   15   26 o   43.897   13.540  -2.4373   6.0508   2.5749   9.4884  -5.8727   7.8553   51.052   21.113   36.742   16.957 14.31007 27.07927 
1 1 1  -27   15   27 o   62.971   14.984   9.6519   6.0200   15.190   9.7094   6.1939   7.6727   72.863   22.446   53.079   19.855 19.78375 29.96753 
1 1 1  -27   15   28 o   70.928   14.681   13.694   5.8868   18.751   9.6482   10.695   7.4301   79.914   21.757   61.942   19.717 17.97216 29.36237 
1 1 1  -27   15   29 o   93.172   13.063   27.276   6.2626   14.983   9.7302   35.970   8.1827   72.162   22.510  114.181   13.262 -42.01876 26.12619 
1 1 1  -27   15   30 o  129.750   9.3028   46.506   6.3922   46.580   10.090   46.457   8.2617  129.547   14.414  129.954   11.765 -0.4069519 18.60565 
1 1 1  -27   15   31 o   92.373   12.665   24.470   5.9789   24.549   9.8521   24.424   7.5225   91.084   20.511   93.663   14.863 -2.578598 25.32964 
1 1 1  -27   15   32 o  106.221   17.063   31.763   9.7940   31.763   9.7940   0.0000   0.0000  106.221   17.063  ?   ?       ?      ? 
1 1 1  -27   15   33 o  134.249   9.2108   50.727   6.5417   45.327   9.9915   54.779   8.6546  127.491   14.503  141.007   11.359 -13.51532 18.42167 
1 1 1  -27   15   34 o  121.526   9.6529   41.773   6.1683   38.037   9.6477   44.356   8.0222  116.374   15.342  126.677   11.719 -10.30275 19.30587 
1 1 1  -27   15   35 f   62.417   14.869   10.911   5.8525   11.141   9.3140   10.761   7.5232   63.520   22.121   61.314   19.875 2.205544 29.73747 
1 1 1  -27   15   36 o   79.989   13.826   18.025   5.7914   24.839   9.6868   14.234   7.2249   90.866   20.246   69.113   18.833 21.75260 27.65104 
1 1 1  -27   15   37 o  117.515   10.098   38.612   6.1572   39.837   10.301   37.931   7.6804  118.310   16.112  116.720   12.177 1.589302 20.19627 
1 1 1  -27   15   38 o  113.887   11.573   39.686   6.4372   29.384   10.224   46.451   8.2856   98.651   19.867  129.122   11.875 -30.47132 23.14507 
1 1 1  -27   15   39 o  133.417   9.4563   49.946   6.6365   50.463   10.686   49.620   8.4674  133.383   14.826  133.450   11.742 -0.6686401E-01 18.91255 
1 1 1  -27   15   40 o  176.062   7.5135   86.392   7.0196   84.187   10.928   87.941   9.1590  173.666   11.645  178.457   9.4979 -4.790405 15.02701 
1 1 1  -27   15   41 o   56.301   14.779   8.3109   5.9526   6.4821   9.6847   9.4213   7.5464   55.021   21.838   57.581   19.919 -2.559261 29.55770 
1 1 1  -27   15   42 o  113.372   11.501   39.627   6.3425   30.856   10.325   44.942   8.0376  100.204   19.771  126.540   11.755 -26.33575 23.00167 
1 1 1  -27   15   43 o   46.292   13.620   1.7650   6.0588  -6.2475   9.6835   6.9195   7.7669   40.009   18.591   52.574   19.910 -12.56443 27.24004 
1 1 1  -27   15   44 o   59.949   14.958   10.254   6.3896   4.1660   10.014   14.436   8.2987   51.850   21.586   68.047   20.713 -16.19624 29.91655 
1 1 1  -27   15   45 o   42.645   13.223  -4.5964   6.1761   6.5805   9.6646 -12.3114   8.0295   54.278   21.726   31.012   15.080 23.26604 26.44615 
1 1 1  -27   15   46 f   60.380   14.782   8.0935   6.3162   19.916   10.270   0.9025   8.0099   77.580   22.914   43.179   18.682 34.40030 29.56466 
1 1 1  -27   15   47 o   97.727   13.190   28.855   6.5783   35.423   10.700   24.864   8.3407  106.030   19.390   89.424   17.886 16.60590 26.37923 
1 1 1  -27   15   48 o   69.902   15.555   17.028   7.2061   7.8385   11.381   23.177   9.3099   56.340   23.194   83.464   20.735 -27.12441 31.11061 
1 1 1  -27   15   49 o   52.843   16.892  -8.0113   10.813   13.187   16.737 -23.1982   14.167   67.083   27.916   38.602   19.027 28.48125 33.78338 
1 1 1  -27   15   52 o   88.389   15.425   27.774   7.2177   28.779   11.462   27.114   9.2912   87.669   23.650   89.110   19.809 -1.440384 30.85014 
1 1 1  -27   15   53 o  106.809   13.380   38.159   7.4565   37.320   11.280   38.809   9.9374  103.151   20.952  110.467   16.648 -7.316086 26.76036 
1 1 1  -27   16    1 o  204.794   6.9967  114.313   7.7183  105.737   11.042  122.506   10.793  197.204   10.362  212.384   9.4043 -15.17943 13.99333 
1 1 1  -27   16    2 o  355.201   8.7022  342.391   16.703   0.0000   0.0000  342.391   16.703  ?   ?   355.201   8.7022      ?      ? 
1 1 1  -27   16    3 o  208.906   6.9472  118.502   7.8028  119.282   11.651  117.868   10.507  209.472   10.294  208.340   9.3327 1.131866 13.89441 
1 1 1  -27   16    4 o  200.531   7.2533  109.917   7.8156   99.730   11.278  119.327   10.840  191.465   10.901  209.598   9.5713 -18.13318 14.50666 
1 1 1  -27   16    5 o  251.637   7.2976  171.603   9.7961  168.798   12.819  175.540   15.188  249.290   9.5160  253.984   11.066 -4.693939 14.59515 
1 1 1  -27   16    6 o  110.825   12.495   33.724   7.4744   35.856   10.854   31.802   10.308  114.157   17.595  107.493   17.747 6.663918 24.99049 
1 1 1  -27   16    7 f  312.435   7.9812  264.307   13.421  281.531   20.100  250.450   18.028  321.510   11.569  303.360   10.998 18.14957 15.96250 
1 1 1  -27   16    8 o  225.083   8.3270  137.769   10.118  145.180   14.691  131.081   13.956  230.830   11.778  219.336   11.775 11.49420 16.65409 
1 1 1  -27   16    9 o  159.758   9.7662   69.097   8.3808   76.013   12.730   63.806   11.134  166.701   14.132  152.814   13.484 13.88701 19.53243 
1 1 1  -27   16   10 o  314.076   8.0627  268.104   13.662  279.054   20.019  258.559   18.691  320.026   11.577  308.127   11.226 11.89923 16.12543 
1 1 1  -27   16   11 o  191.150   8.0863   96.439   7.9769  109.910   13.823   89.714   9.7673  200.653   12.749  181.648   9.9508 19.00514 16.17263 
1 1 1  -27   16   12 o   77.598   14.849   17.201   6.2768   17.478   10.035   17.022   8.0449   78.218   22.521   76.979   19.359 1.238159 29.69816 
1 1 1  -27   16   13 o  189.805   7.4062   97.264   7.4713  102.104   11.797   94.022   9.6543  193.612   11.276  185.998   9.6057 7.614655 14.81241 
1 1 1  -27   16   14 o  154.938   8.5608   65.750   7.0075   64.104   11.069   66.850   9.0526  153.154   13.375  156.723   10.689 -3.569138 17.12153 
1 1 1  -27   16   15 o  208.302   7.1704  119.491   7.9109  109.679   12.178  126.655   10.406  200.653   11.231  215.951   8.9171 -15.29778 14.34085 
1 1 1  -27   16   16 o  176.841   10.142   85.082   9.6917   0.0000   0.0000   85.082   9.6917  ?   ?   176.841   10.142      ?      ? 
1 1 1  -27   16   17 f  325.608   6.3504  288.664   11.123  281.613   16.415  294.650   15.125  321.827   9.4393  329.389   8.4976 -7.562439 12.70080 
1 1 1  -27   16   18 o   55.921   14.675   6.3683   6.2659  -0.2545   9.8537   10.864   8.1189   48.511   20.854   63.330   20.653 -14.81832 29.35042 
1 1 1  -27   16   19 o   49.318   14.291   1.8935   6.0563   5.7034   9.4818  -0.7320   7.8712   55.869   21.778   42.767   18.511 13.10172 28.58275 
1 1 1  -27   16   20 o  141.314   14.318   55.163   7.9336   58.784   19.341   54.431   8.6991  141.474   26.267  141.153   11.405 0.3212738 28.63612 
1 1 1  -27   16   21 o  220.442   10.914  135.452   12.666  127.703   19.987  140.653   16.374  214.546   17.240  226.339   13.388 -11.79318 21.82788 
1 1 1  -27   16   22 o  186.654   11.848   92.252   11.446  111.914   19.878   82.500   13.999  200.378   18.358  172.930   14.981 27.44789 23.69520 
1 1 1  -27   16   23 o  255.333   7.9105  179.113   10.780  184.089   14.291  172.545   16.419  259.729   10.182  250.938   12.109 8.790634 15.82096 
1 1 1  -27   16   24 o  169.907   8.2566   78.859   7.4280   80.078   11.777   78.054   9.5720  170.772   12.762  169.042   10.479 1.729797 16.51319 
1 1 1  -27   16   25 o  184.279   7.5697   94.968   7.3212   82.134   11.326  104.179   9.5954  173.035   12.113  195.524   9.0819 -22.48911 15.13949 
1 1 1  -27   16   26 o  143.119   9.0857   57.094   6.8723   52.364   10.635   60.485   9.0051  137.654   14.297  148.583   11.216 -10.92914 18.17146 
1 1 1  -27   16   27 o  154.070   8.5289   65.281   6.9349   65.250   11.054   65.301   8.9055  153.748   13.305  154.393   10.674 -0.6441498 17.05774 
1 1 1  -27   16   28 o  301.699   6.2883  248.098   10.157  251.380   15.493  245.624   13.451  303.243   9.4548  300.155   8.2931 3.087830 12.57650 
1 1 1  -27   16   29 o  119.104   10.166   40.206   6.3225   35.902   10.007   43.066   8.1567  113.206   16.358  125.002   12.076 -11.79568 20.33273 
1 1 1  -27   16   30 o  171.799   7.7661   80.177   7.1112   86.730   11.175   75.718   9.2185  177.444   11.655  166.153   10.267 11.29156 15.53227 
1 1 1  -27   16   31 o   43.980   13.305  -2.6219   5.8159   5.8008   9.2542  -8.1201   7.4769   54.696   21.461   33.263   15.732 21.43296 26.60984 
1 1 1  -27   16   32 o  188.600   7.4475   99.420   7.4569   86.305   11.136  110.079   10.040  176.763   11.659  200.437   9.2698 -23.67360 14.89505 
1 1 1  -27   16   33 o  114.734   10.200   35.914   6.2066   42.102   10.014   32.054   7.9087  122.331   15.150  107.137   13.661 15.19454 20.39916 
1 1 1  -27   16   34 f  122.956   10.202   44.001   6.4202   36.558   10.354   48.650   8.1833  113.333   16.907  132.581   11.422 -19.24783 20.40415 
1 1 1  -27   16   35 o   81.438   14.107   19.723   6.0840   22.012   9.5292   18.148   7.9047   85.094   20.880   77.782   18.976 7.312103 28.21457 
1 1 1  -27   16   36 o  206.547   9.1489  117.358   10.211   0.0000   0.0000  117.358   10.211  ?   ?   206.547   9.1489      ?      ? 
1 1 1  -27   16   37 o   75.733   14.432   18.012   6.1399   13.383   9.6188   21.196   7.9763   67.297   22.504   84.169   18.077 -16.87254 28.86491 
1 1 1  -27   16   38 o   85.592   14.267   22.284   6.4385   23.413   9.8661   21.447   8.4973   87.069   21.174   84.115   19.127 2.953316 28.53388 
1 1 1  -27   16   39 o  199.170   7.3170  109.179   7.8033  116.656   12.014  103.723   10.263  204.753   10.858  193.586   9.8109 11.16649 14.63403 
1 1 1  -27   16   40 o   98.918   12.430   28.269   6.4358   33.778   10.151   24.567   8.3221  107.463   17.481   90.373   17.675 17.09029 24.85935 
1 1 1  -27   16   41 o   44.724   13.389   1.0534   5.8923  -6.0916   9.5757   5.4073   7.4750   39.948   18.537   49.500   19.326 -9.551640 26.77852 
1 1 1  -27   16   42 o   77.397   13.820   16.727   6.3946   32.317   10.034   6.0669   8.2977  102.945   18.728   51.849   20.328 51.09660 27.64049 
1 1 1  -27   16   43 o   56.101   15.133   7.7398   6.2769   10.200   9.9361   6.1057   8.0973   60.628   22.611   51.574   20.120 9.054153 30.26663 
1 1 1  -27   16   44 o   66.112   15.456   12.991   6.2974   17.926   10.318   10.062   7.9496   73.922   23.200   58.303   20.429 15.61910 30.91258 
1 1 1  -27   16   45 o   80.826   13.994   21.933   6.7039   10.121   10.390   30.359   8.7748   60.132   22.966  101.520   15.996 -41.38797 27.98733 
1 1 1  -27   16   46 o   44.358   13.828  -0.3512   6.6881  -7.2116   10.761   3.9671   8.5374   40.808   19.168   47.908   19.937 -7.099438 27.65671 
1 1 1  -27   16   47 o   53.306   14.593   1.8165   6.8333   17.894   10.886  -8.6364   8.7780   71.616   23.941   34.995   16.692 36.62165 29.18517 
1 1 1  -27   16   48 o   46.279   15.431 -11.4380   9.7887   1.5266   15.556 -19.9369   12.595   55.475   24.915   37.082   18.211 18.39266 30.86120 
1 1 1  -27   16   51 o   73.193   15.318   19.923   7.3418   8.8672   11.106   28.504   9.7848   55.345   22.861   91.041   20.396 -35.69602 30.63684 
1 1 1  -27   16   52 o   90.249   14.915   30.128   7.3497   23.171   11.473   34.970   9.5712   76.151   24.529  104.347   16.975 -28.19610 29.82982 
1 1 1  -27   17    1 o  114.989   12.724   37.180   7.6685   41.239   10.708   32.905   10.988  122.516   16.174  107.462   19.646 15.05399 25.44707 
1 1 1  -27   17    2 o  108.916   13.223   34.072   7.4263   41.239   10.255   26.171   10.768  122.603   15.480   95.228   21.442 27.37504 26.44609 
1 1 1  -27   17    3 o  111.908   13.088   35.414   7.6358   41.216   10.730   29.459   10.869  122.480   16.212  101.336   20.552 21.14407 26.17652 
1 1 1  -27   17    4 o  164.946   9.4309   74.416   8.3969   70.833   11.915   77.950   11.836  160.948   13.700  168.945   12.965 -7.997482 18.86171 
1 1 1  -27   17    5 o  212.470   8.3045  123.022   9.5281  116.937   13.358  129.324   13.594  207.092   11.937  217.849   11.548 -10.75636 16.60892 
1 1 1  -27   17    6 o  169.073   9.3671   78.109   8.5564   80.000   12.134   76.239   12.067  171.126   13.122  167.020   13.371 4.106308 18.73417 
1 1 1  -27   17    7 o  141.887   9.6125   55.337   7.2360   53.423   11.253   56.687   9.4486  139.613   14.916  144.161   12.129 -4.548553 19.22496 
1 1 1  -27   17    8 o  296.742   6.4267  238.282   10.254  248.002   15.408  230.555   13.738  302.090   9.4388  291.393   8.7246 10.69681 12.85337 
1 1 1  -27   17    9 o   95.328   13.046   26.615   6.4001   20.580   9.9059   30.939   8.3851   84.394   21.624  106.262   14.603 -21.86862 26.09298 
1 1 1  -27   17   10 o  137.426   9.2865   51.130   6.8597   58.886   10.246   44.829   9.2345  146.808   12.916  128.044   13.346 18.76379 18.57301 
1 1 1  -27   17   11 o  290.965   6.5924  228.200   10.243  242.195   15.936  218.349   13.370  298.395   9.8835  283.535   8.7265 14.86011 13.18471 
1 1 1  -27   17   12 o   87.104   14.258   21.337   6.5317   26.250   10.166   17.883   8.5238   95.463   20.330   78.746   19.995 16.71690 28.51536 
1 1 1  -27   17   13 o  389.010   6.6145  412.346   13.871  395.920   20.058  427.402   19.204  381.467   9.7308  396.553   8.9619 -15.08591 13.22891 
1 1 1  -27   17   14 o  190.927   7.6377   99.272   7.8163  100.208   11.852   98.552   10.398  191.617   11.447  190.237   10.115 1.380188 15.27531 
1 1 1  -27   17   15 o  329.078   6.4679  294.118   11.406  298.032   17.328  291.125   15.152  330.871   9.6918  327.284   8.5675 3.586395 12.93573 
1 1 1  -27   17   16 o  105.838   12.422   31.773   6.7643   30.252   10.627   32.808   8.7705  102.500   19.904  109.176   14.866 -6.675560 24.84317 
1 1 1  -27   17   17 o  234.249   6.7879  150.596   8.4864  141.317   12.819  157.835   11.323  227.607   10.423  240.890   8.6984 -13.28328 13.57575 
1 1 1  -27   17   18 f   60.888   15.429   8.6039   6.3781   12.045   10.088   6.3123   8.2320   67.360   23.044   54.417   20.524 12.94267 30.85839 
1 1 1  -27   17   19 o  273.660   6.5687  203.060   9.6168  210.443   14.787  197.648   12.660  277.814   9.8502  269.507   8.6928 8.306305 13.13746 
1 1 1  -27   17   20 o  204.217   11.880  115.471   12.615  116.847   20.925  114.685   15.812  204.434   18.942  204.001   14.344 0.4320679 23.76006 
1 1 1  -27   17   21 o  356.398   9.6390  351.646   18.443  314.189   26.522  386.712   25.662  337.462   14.545  375.335   12.653 -37.87280 19.27799 
1 1 1  -27   17   22 o  134.071   16.841   55.986   11.032   40.473   18.212   64.977   13.865  115.276   29.203  152.867   16.785 -37.59113 33.68300 
1 1 1  -27   17   23 o   42.305   13.757 -10.1221   7.8112  -0.5195   9.9095 -25.8784   12.694   47.975   20.768   36.635   18.048 11.34033 27.51462 
1 1 1  -27   17   24 o  236.285   8.2289  153.703   10.332  155.911   13.503  150.586   16.049  238.690   10.469  233.880   12.699 4.810074 16.45772 
1 1 1  -27   17   25 o  220.798   6.9650  131.978   8.1926  141.279   12.877  125.652   10.619  227.084   10.494  214.511   9.1610 12.57330 13.93006 
1 1 1  -27   17   26 f  278.371   6.5116  213.143   9.7107  198.825   14.408  225.061   13.145  269.506   9.8935  287.236   8.4688 -17.72974 13.02312 
1 1 1  -27   17   27 o  165.594   8.1108   75.199   7.1404   76.821   11.192   74.085   9.2724  166.841   12.415  164.348   10.441 2.492538 16.22150 
1 1 1  -27   17   28 o  273.928   6.4461  204.653   9.4465  208.839   14.476  201.548   12.467  276.146   9.7010  271.710   8.4912 4.435974 12.89222 
1 1 1  -27   17   29 o  171.301   7.8715   81.628   7.1138   76.505   11.143   85.152   9.2425  166.335   12.397  176.267   9.7035 -9.931732 15.74306 
1 1 1  -27   17   30 o  127.272   10.081   45.206   6.8272   45.398   10.618   45.070   8.9141  127.141   15.455  127.403   12.948 -0.2620316 20.16228 
1 1 1  -27   17   31 o  167.503   8.0819   78.530   7.1559   72.403   11.081   82.912   9.3720  161.376   12.708  173.629   9.9889 -12.25342 16.16370 
1 1 1  -27   17   32 o   87.552   13.365   24.897   6.2591   12.699   9.9959   32.765   8.0276   66.866   22.937  108.238   13.725 -41.37174 26.72993 
1 1 1  -27   17   33 o  120.706   10.421   40.926   6.7358   41.894   10.279   40.196   8.9173  121.645   15.637  119.768   13.779 1.877602 20.84163 
1 1 1  -27   17   34 o  152.998   8.9518   67.780   7.0523   55.735   11.188   75.722   9.0843  140.400   14.747  165.596   10.152 -25.19556 17.90366 
1 1 1  -27   17   35 o  162.209   8.0793   71.798   6.9476   80.074   11.169   66.575   8.8730  169.368   12.204  155.050   10.590 14.31808 16.15851 
1 1 1  -27   17   36 o   79.823   14.618   19.492   6.2133   19.613   10.227   19.422   7.8224   79.342   22.704   80.304   18.419 -0.9619598 29.23597 
1 1 1  -27   17   37 o   89.614   13.688   23.551   6.3690   30.605   10.107   18.905   8.2025  100.603   19.294   78.624   19.421 21.97900 27.37571 
1 1 1  -27   17   38 o   52.302   14.800   4.5883   6.3316   9.1605   9.9378   1.4642   8.2146   59.513   22.525   45.090   19.202 14.42321 29.59911 
1 1 1  -27   17   39 o  144.456   8.8277   56.561   6.7441   70.919   11.002   47.920   8.5357  158.387   12.855  130.524   12.102 27.86276 17.65533 
1 1 1  -27   17   40 o   43.183   13.048  -0.4006   5.8941  -9.9187   9.5403   5.4751   7.4958   36.784   17.506   49.582   19.354 -12.79782 26.09619 
1 1 1  -27   17   41 o  255.187   6.7388  181.180   9.1464  177.749   14.161  183.636   11.981  252.485   10.380  257.890   8.5971 -5.405167 13.47762 
1 1 1  -27   17   42 o   73.354   15.544   17.096   6.5079   17.725   10.693   16.726   8.2020   73.893   23.667   72.815   20.158 1.078102 31.08848 
1 1 1  -27   17   43 o  172.151   8.2212   82.447   7.4632   90.323   12.150   77.674   9.4579  177.938   12.636  166.364   10.521 11.57364 16.44248 
1 1 1  -27   17   44 o   63.649   15.388   12.677   6.8905   4.6734   11.050   17.770   8.8141   53.275   22.459   74.022   21.041 -20.74713 30.77610 
1 1 1  -27   17   45 o   38.545   12.707  -6.1185   6.6461 -14.4381   10.914  -1.2147   8.3789   36.253   17.617   40.837   18.317 -4.583649 25.41412 
1 1 1  -27   17   46 o   38.062   13.097 -15.6952   8.5426 -14.7473   11.385 -16.9167   12.923   37.096   18.019   39.027   19.011 -1.931007 26.19392 
1 1 1  -27   17   47 o  198.267   15.383  134.903   13.952   75.338   20.790  183.716   18.820  145.431   27.461  251.104   13.870 -105.6730 30.76517 
1 1 1  -27   17   49 o   76.143   26.816   25.383   13.708   0.0000   0.0000   25.383   13.708  ?   ?    76.143   26.816      ?      ? 
1 1 1  -27   17   50 o   63.030   16.592   13.970   7.4570   15.894   11.691   12.650   9.6823   65.538   24.510   60.521   22.370 5.016834 33.18369 
1 1 1  -27   17   51 f   36.999   12.504  -8.7168   7.2621 -17.5350   11.310  -2.5301   9.4730   34.055   16.826   39.942   18.500 -5.886723 25.00705 
1 1 1  -27   18    1 o  222.533   7.4432  134.779   8.8299  136.104   13.681  133.834   11.560  223.314   11.338  221.751   9.6470 1.562241 14.88648 
1 1 1  -27   18    2 o  366.503   11.819  366.892   23.406  366.892   23.406   0.0000   0.0000  366.503   11.819  ?   ?       ?      ? 
1 1 1  -27   18    3 o   83.871   12.982   20.709   6.3273   6.2643   9.0970   34.246   8.8064   56.083   21.473  111.659   14.595 -55.57649 25.96358 
1 1 1  -27   18    4 o  291.258   6.4411  231.094   10.117  221.988   14.583  239.545   14.048  285.645   9.4477  296.871   8.7573 -11.22592 12.88212 
1 1 1  -27   18    5 o  308.910   6.4863  259.997   10.801  251.490   15.676  267.685   14.902  304.007   9.5424  313.812   8.7881 -9.805237 12.97260 
1 1 1  -27   18    6 o   53.393   13.761   2.0365   6.4409 -11.7308   9.4615   13.927   8.7929   36.584   17.417   70.201   21.310 -33.61737 27.52229 
1 1 1  -27   18    7 o   96.261   13.220   26.052   6.6937   35.614   9.9077   18.023   9.0791  113.628   16.136   78.894   20.946 34.73473 26.44069 
1 1 1  -27   18    8 o  127.361   10.114   44.460   6.9521   46.538   10.148   42.623   9.5435  130.139   14.430  124.582   14.176 5.557640 20.22885 
1 1 1  -27   18    9 o  183.611   10.541   91.933   10.458   0.0000   0.0000   91.933   10.458  ?   ?   183.611   10.541      ?      ? 
1 1 1  -27   18   10 o  143.631   12.610   56.496   9.7869   0.0000   0.0000   56.496   9.7869  ?   ?   143.631   12.610      ?      ? 
1 1 1  -27   18   11 o  115.429   10.887   36.571   6.7467   38.244   10.225   35.281   8.9789  117.649   16.083  113.210   14.677 4.438545 21.77357 
1 1 1  -27   18   12 f   87.226   14.358   21.960   6.5771   23.187   10.157   21.074   8.6310   89.128   21.367   85.323   19.186 3.805519 28.71644 
1 1 1  -27   18   13 o  219.504   9.3296  131.221   11.066   0.0000   0.0000  131.221   11.066  ?   ?   219.504   9.3296      ?      ? 
1 1 1  -27   18   14 o  278.164   6.5728  210.509   9.8277  213.046   14.708  208.463   13.209  279.567   9.7361  276.760   8.8325 2.807465 13.14552 
1 1 1  -27   18   15 o  108.384   11.844   32.180   6.8931   36.885   10.452   28.558   9.1698  115.303   16.776  101.465   16.725 13.83840 23.68817 
1 1 1  -27   18   16 o   98.713   12.846   28.853   6.4842   21.300   9.8453   34.640   8.6170   85.293   21.397  112.132   14.221 -26.83849 25.69233 
1 1 1  -27   18   17 o   60.681   15.013   9.1629   6.4032   2.9769   10.011   13.445   8.3296   52.709   21.732   68.652   20.719 -15.94266 30.02650 
1 1 1  -27   18   18 o  220.920   11.532  152.700   10.613  107.635   22.374  165.784   12.056  195.159   21.217  246.681   9.0442 -51.52184 23.06386 
1 1 1  -27   18   19 o   97.598   19.277   30.123   11.114   15.959   18.284   38.423   13.997   81.045   30.582  114.151   23.475 -33.10574 38.55333 
1 1 1  -27   18   20 o  108.040   18.047   40.142   11.091   12.908   19.765   52.658   13.399   78.943   31.239  137.137   18.081 -58.19419 36.09455 
1 1 1  -27   18   21 o   60.126   14.599   6.1025   6.4516   17.994   9.9976  -2.3836   8.4455   78.232   22.466   42.019   18.648 36.21303 29.19703 
1 1 1  -27   18   22 o  255.995   9.8317  202.071   11.454  139.955   21.264  227.459   13.594  223.230   17.628  288.760   8.7121 -65.53020 19.66336 
1 1 1  -27   18   23 o   77.032   16.937  -1.0751   7.6841   44.572   19.022  -9.9770   8.4000  119.479   29.612   34.586   16.450 84.89301 33.87410 
1 1 1  -27   18   24 o  235.151   8.6354  152.747   10.687  153.726   13.682  151.216   17.117  236.670   10.699  233.632   13.558 3.037689 17.27085 
1 1 1  -27   18   25 o  231.537   8.4553  142.989   10.326  127.155   13.001  170.045   16.995  215.028   11.189  248.045   12.680 -33.01724 16.91063 
1 1 1  -27   18   26 o  182.465   7.6645   91.446   7.4191   91.908   11.663   91.133   9.6156  182.555   11.823  182.375   9.7572 0.1799164 15.32903 
1 1 1  -27   18   27 o   49.168   14.291   2.5034   6.3108  -2.8186   9.8201   6.2475   8.2367   44.742   19.966   53.594   20.453 -8.852505 28.58277 
1 1 1  -27   18   28 o   72.577   14.468   15.986   6.3475   7.9918   9.6051   22.184   8.4576   58.531   22.147   86.622   18.623 -28.09118 28.93570 
1 1 1  -27   18   29 o   97.775   13.327   31.381   6.6934   14.244   10.295   43.929   8.8093   69.952   23.279  125.597   12.980 -55.64560 26.65305 
1 1 1  -27   18   30 o   76.418   14.656   18.061   6.3568   12.844   9.7409   21.931   8.3895   66.944   22.645   85.892   18.613 -18.94844 29.31269 
1 1 1  -27   18   31 o   59.361   13.547   7.9433   6.2073  -5.5785   9.4153   18.339   8.2555   40.694   18.702   78.028   19.604 -37.33410 27.09418 
1 1 1  -27   18   32 o  168.966   8.0816   81.002   7.1654   70.525   11.095   88.498   9.3849  158.744   12.935  179.189   9.6923 -20.44513 16.16323 
1 1 1  -27   18   33 o   51.728   14.822   4.6158   6.3592   4.0692   10.093   4.9757   8.1891   52.789   21.799   50.667   20.090 2.121750 29.64422 
1 1 1  -27   18   34 o  127.370   10.107   44.635   6.8531   53.614   10.893   38.751   8.8168  137.540   14.656  117.200   13.922 20.34071 20.21409 
1 1 1  -27   18   35 o  147.787   9.1233   60.462   7.2052   67.771   11.249   55.377   9.3827  155.003   13.430  140.571   12.352 14.43184 18.24669 
1 1 1  -27   18   36 o   37.928   12.506  -8.0651   6.0627  -1.4162   9.9115 -12.0402   7.6636   45.444   20.183   30.412   14.775 15.03274 25.01286 
1 1 1  -27   18   37 o  127.415   10.302   44.223   6.8489   64.535   10.953   31.184   8.7761  150.839   13.438  103.992   15.618 46.84752 20.60343 
1 1 1  -27   18   38 o  161.433   8.7624   75.050   7.3453   67.450   11.782   79.881   9.3942  153.520   14.203  169.346   10.266 -15.82640 17.52471 
1 1 1  -27   18   39 o  143.491   9.4308   58.801   7.1558   57.401   11.242   59.756   9.2779  141.254   14.729  145.727   11.782 -4.473618 18.86159 
1 1 1  -27   18   40 o  133.200   9.9594   51.135   6.9078   49.533   11.253   52.104   8.7506  130.434   15.966  135.965   11.910 -5.531296 19.91883 
1 1 1  -27   18   41 o  124.620   11.175   46.772   7.1575   40.326   11.512   50.834   9.1385  115.672   18.418  133.569   12.661 -17.89795 22.35017 
1 1 1  -27   18   42 o  155.049   9.2734   66.944   7.6027   78.432   12.392   60.010   9.6278  164.860   13.910  145.238   12.268 19.62202 18.54677 
1 1 1  -27   18   43 o  110.495   12.077   35.361   7.0493   44.020   11.558   30.232   8.8951  120.380   17.769  100.610   16.361 19.76945 24.15416 
1 1 1  -27   18   44 f   44.086   14.047  -3.6044   7.0233   5.3745   11.259  -9.3228   8.9856   53.190   22.561   34.982   16.741 18.20762 28.09388 
1 1 1  -27   18   45 o   78.933   19.213   23.131   10.122   18.484   15.854   26.329   13.150   72.628   28.203   85.238   26.100 -12.61012 38.42660 
1 1 1  -27   18   46 o  159.245   18.051   77.680   15.533   0.0000   0.0000   77.680   15.533  ?   ?   159.245   18.051      ?      ? 
1 1 1  -27   18   48 o   47.808   16.298 -10.2395   11.221   7.1914   19.682 -18.6329   13.658   57.838   26.745   37.779   18.633 20.05906 32.59581 
1 1 1  -27   18   49 o  159.119   9.8301   76.465   8.2559   73.785   12.936   78.307   10.724  154.854   15.459  163.385   12.147 -8.531677 19.66023 
1 1 1  -27   18   50 o   61.229   15.174   7.6200   7.3449   29.941   12.133  -5.2924   9.2279   85.492   24.807   36.966   17.482 48.52650 30.34783 
1 1 1  -27   19    1 o  148.923   8.5586   60.737   6.8635   54.211   9.5647   67.665   9.8547  140.595   12.590  157.252   11.597 -16.65717 17.11722 
1 1 1  -27   19    2 o  150.583   8.7447   62.228   7.0955   67.934   10.079   56.621   9.9907  157.525   11.841  143.641   12.872 13.88419 17.48936 
1 1 1  -27   19    3 o  295.610   6.4910  237.621   10.353  244.180   15.144  231.867   14.184  299.387   9.3610  291.833   8.9947 7.553711 12.98203 
1 1 1  -27   19    4 o  237.013   9.5219  153.079   12.195   0.0000   0.0000  153.079   12.195  ?   ?   237.013   9.5219      ?      ? 
1 1 1  -27   19    5 o  186.788   10.721   95.294   10.821   0.0000   0.0000   95.294   10.821  ?   ?   186.788   10.721      ?      ? 
1 1 1  -27   19    6 o  255.864   6.8137  178.829   9.3966  171.449   13.601  185.569   12.997  250.706   10.040  261.021   9.2149 -10.31496 13.62744 
1 1 1  -27   19    7 o   53.859   14.972   4.7402   6.5056   1.4504   9.3373   7.8439   9.0693   49.224   20.693   58.495   21.644 -9.270977 29.94465 
1 1 1  -27   19    8 o  183.512   8.1395   92.674   8.0238   84.375   11.615  100.252   11.098  175.454   12.250  191.570   10.721 -16.11682 16.27904 
1 1 1  -27   19    9 o   62.439   15.612   9.6486   6.7121   6.1812   9.6769   12.864   9.3181   56.755   22.035   68.122   22.121 -11.36754 31.22354 
1 1 1  -27   19   10 o  301.789   6.6501  246.759   10.780  260.944   16.327  235.798   14.353  309.331   9.7680  294.248   9.0267 15.08255 13.30016 
1 1 1  -27   19   11 f  212.717   9.9352  123.452   11.420   0.0000   0.0000  123.452   11.420  ?   ?   212.717   9.9352      ?      ? 
1 1 1  -27   19   12 o  232.258   7.0438  147.934   8.7942  136.935   12.777  157.835   12.123  223.871   10.562  240.645   9.3226 -16.77409 14.08760 
1 1 1  -27   19   13 o  196.969   7.7174  106.375   8.1187  104.241   12.394  107.979   10.745  195.043   11.759  198.896   9.9975 -3.852280 15.43481 
1 1 1  -27   19   14 o  167.571   8.4547   78.799   7.4645   65.941   11.260   88.879   9.9700  154.758   13.465  180.384   10.228 -25.62572 16.90936 
1 1 1  -27   19   15 o   71.092   14.465   14.729   6.4123   5.6306   9.7689   21.617   8.4997   55.918   22.015   86.265   18.768 -30.34633 28.92901 
1 1 1  -27   19   16 o  177.647   7.9745   85.204   7.5908   96.803   11.697   76.764   9.9770  187.882   11.521  167.413   11.029 20.46942 15.94905 
1 1 1  -27   19   17 o  106.904   19.783   37.341   11.800   22.838   20.190   44.865   14.542   90.271   32.463  123.536   22.618 -33.26492 39.56568 
1 1 1  -27   19   18 o  170.780   13.493   80.559   11.954   89.099   20.316   76.036   14.785  176.633   21.286  164.926   16.589 11.70630 26.98669 
1 1 1  -27   19   19 o  100.361   16.127   30.465   8.4561   32.450   10.995   27.590   13.230  105.328   20.051   95.393   25.265 9.934860 32.25444 
1 1 1  -27   19   20 o  106.563   12.545   31.843   6.9383   41.782   10.534   24.229   9.2206  122.265   15.945   90.860   19.372 31.40433 25.08997 
1 1 1  -27   19   21 o  111.100   12.064   34.920   6.6956   52.859   10.110   20.902   8.9365  138.120   13.545   84.080   19.967 54.03990 24.12761 
1 1 1  -27   19   22 o   54.100   14.389   2.9772   6.3924   13.698   9.7010  -5.2505   8.4983   69.260   22.575   38.941   17.849 30.31865 28.77895 
1 1 1  -27   19   23 o  114.326   16.455   34.906   8.3451   46.532   18.555   31.958   9.3435  121.951   28.644  106.701   16.205 15.25060 32.91020 
1 1 1  -27   19   24 o  247.446   9.6687  174.442   10.755  162.342   22.228  178.141   12.289  239.690   17.161  255.202   8.9116 -15.51201 19.33731 
1 1 1  -27   19   25 o  193.425   9.5830  104.335   9.5962  104.747   11.996  103.604   15.992  194.798   11.396  192.051   15.410 2.746414 19.16606 
1 1 1  -27   19   26 o  129.047   12.291   46.522   8.4506   42.306   10.905   52.860   13.371  122.189   16.515  135.904   18.207 -13.71468 24.58158 
1 1 1  -27   19   27 o  146.173   9.3021   58.848   7.2821   65.046   11.244   54.370   9.5576  152.551   13.640  139.796   12.652 12.75444 18.60425 
1 1 1  -27   19   28 o   44.216   13.707  -1.8656   6.1416   2.7441   9.9696  -4.6849   7.7968   51.197   21.445   37.235   17.078 13.96208 27.41429 
1 1 1  -27   19   29 o   47.984   14.358   1.7910   6.3696   2.0946   9.7236   1.5628   8.4302   49.730   21.022   46.238   19.562 3.492039 28.71591 
1 1 1  -27   19   30 o  147.255   9.0995   60.407   7.1988   63.373   10.874   58.093   9.6048  150.243   13.394  144.266   12.321 5.976593 18.19903 
1 1 1  -27   19   31 o   60.992   15.281   10.328   6.2892   8.7705   9.9029   11.381   8.1420   59.441   22.488   62.544   20.696 -3.102203 30.56253 
1 1 1  -27   19   32 o   86.024   14.807   22.406   6.7455   25.357   10.505   20.336   8.7991   90.484   21.753   81.564   20.095 8.919830 29.61463 
1 1 1  -27   19   33 o  116.522   11.076   38.332   6.8881   42.452   10.797   35.505   8.9447  121.379   16.462  111.665   14.824 9.714127 22.15286 
1 1 1  -27   19   34 o  145.677   9.2720   58.774   7.2219   71.866   11.052   49.019   9.5402  159.711   12.807  131.642   13.411 28.06848 18.54393 
1 1 1  -27   19   35 o  100.480   12.807   30.726   6.5591   27.408   10.402   32.916   8.4511   93.674   21.061  107.286   14.578 -13.61115 25.61358 
1 1 1  -27   19   36 o  103.683   12.578   30.784   6.7536   41.825   10.764   23.615   8.6733  119.672   16.645   87.694   18.863 31.97851 25.15685 
1 1 1  -27   19   37 o   52.647   14.875   5.8994   6.3527   3.5354   10.413   7.3009   8.0176   51.705   21.801   53.590   20.244 -1.884415 29.75053 
1 1 1  -27   19   38 o  142.014   9.5095   58.903   7.0615   49.580   10.854   65.743   9.2980  130.915   15.344  153.113   11.238 -22.19817 19.01905 
1 1 1  -27   19   39 o   65.637   13.027   6.8166   6.5161   29.332   10.178  -8.8217   8.4824   96.580   20.154   34.695   16.510 61.88522 26.05316 
1 1 1  -27   19   40 o   80.651   15.589   20.569   6.9917   27.136   10.896   15.973   9.1160   91.008   22.325   70.293   21.765 20.71529 31.17866 
1 1 1  -27   19   41 o   86.345   14.693   22.496   6.9096   35.959   11.099   13.975   8.8294  106.662   19.991   66.028   21.538 40.63345 29.38559 
1 1 1  -27   19   42 o  169.532   9.0286   84.177   8.1339   75.927   12.234   90.713   10.889  160.771   14.083  178.293   11.302 -17.52188 18.05728 
1 1 1  -27   19   43 o  157.764   11.438   72.515   9.5622   56.458   12.448   95.631   14.936  136.388   16.890  179.141   15.429 -42.75221 22.87632 
1 1 1  -27   19   44 o   73.920   17.678   15.031   10.378  -4.8806   14.637   35.158   14.715   49.455   22.937   98.385   26.905 -48.93053 35.35544 
1 1 1  -27   19   45 o   39.224   19.277 -21.2748   14.194   0.0000   0.0000 -21.2748   14.194  ?   ?    39.224   19.277      ?      ? 
1 1 1  -27   19   46 o   53.036   23.538   5.9009   13.457   0.0000   0.0000   5.9009   13.457  ?   ?    53.036   23.538      ?      ? 
1 1 1  -27   19   47 o   46.198   15.431  -7.6135   10.684 -29.5721   19.077   2.4212   12.896   42.164   21.005   50.232   22.612 -8.067677 30.86278 
1 1 1  -27   19   48 o  147.958   10.574   68.904   8.1760   57.787   12.414   77.420   10.865  134.361   17.098  161.554   12.446 -27.19292 21.14841 
1 1 1  -27   19   49 o   77.661   16.626   23.895   7.5208   27.866   11.552   20.974   9.9084   82.482   24.284   72.840   22.714 9.641518 33.25141 
1 1 1  -27   20    1 o   82.689   14.299   19.870   6.5512   27.970   9.4654   12.422   9.0765   98.493   18.463   66.884   21.838 31.60854 28.59715 
1 1 1  -27   20    2 o   61.138   14.721   7.7577   6.5239   17.206   9.4967  -0.6861   8.9775   76.766   21.848   45.511   19.734 31.25510 29.44105 
1 1 1  -27   20    3 o  117.953   11.066   38.514   7.0435   39.846   10.296   37.342   9.6568  119.817   15.902  116.089   15.394 3.728462 22.13268 
1 1 1  -27   20    4 o  117.523   10.943   38.459   6.9131   34.733   9.9108   41.990   9.6477  111.769   16.410  123.277   14.483 -11.50797 21.88665 
1 1 1  -27   20    5 o   87.703   13.515   22.704   6.5882   10.901   9.3691   34.248   9.2659   64.243   22.197  111.163   15.425 -46.92046 27.03016 
1 1 1  -27   20    6 o   87.563   13.747   22.261   6.6852   11.927   9.3648   32.999   9.5466   66.162   22.204  108.964   16.213 -42.80202 27.49357 
1 1 1  -27   20    7 o  218.115   9.8914  129.924   11.658   0.0000   0.0000  129.924   11.658  ?   ?   218.115   9.8914      ?      ? 
1 1 1  -27   20    8 o  155.935   8.9046   67.184   7.4388   57.055   10.493   77.419   10.547  143.858   13.498  168.012   11.618 -24.15421 17.80925 
1 1 1  -27   20    9 o   40.096   13.032  -6.9126   6.5542  -2.8717   9.3479 -10.8201   9.1923   43.891   19.541   36.302   17.249 7.589363 26.06495 
1 1 1  -27   20   10 o   79.363   14.869   18.639   6.6642   12.885   9.6001   23.991   9.2584   68.071   22.471   90.656   19.480 -22.58583 29.73884 
1 1 1  -27   20   11 o   91.920   13.877   25.004   6.8029   18.338   10.013   30.721   9.2716   78.884   22.427  104.957   16.348 -26.07291 27.75320 
1 1 1  -27   20   12 o  102.961   12.370   30.226   6.7060   28.816   9.7505   31.491   9.2377   99.659   18.795  106.264   16.088 -6.605057 24.74012 
1 1 1  -27   20   13 o   47.365   13.855  -1.0998   6.5541 -11.8559   9.7170   7.8781   8.8775   36.896   17.589   57.834   21.411 -20.93784 27.70929 
1 1 1  -27   20   14 f  191.905   7.9298  100.732   8.1450  104.135   12.490   98.215   10.744  194.520   11.883  189.289   10.504 5.231384 15.85963 
1 1 1  -27   20   15 f   57.760   18.526  -6.6099   11.673  -1.6743   20.482  -8.9842   14.206   66.013   29.180   49.507   22.833 16.50569 37.05145 
1 1 1  -27   20   16 o  140.295   18.419   61.600   12.713   50.766   21.544   67.387   15.746  126.399   31.621  154.192   18.898 -27.79318 36.83801 
1 1 1  -27   20   17 o   67.142   19.955   0.0964   11.565   17.827   21.385  -7.2320   13.749   84.476   32.768   49.808   22.783 34.66792 39.91038 
1 1 1  -27   20   18 o   46.586   19.814   0.9050   8.7252   0.0000   0.0000   0.9050   8.7252  ?   ?    46.586   19.814      ?      ? 
1 1 1  -27   20   19 o  205.271   7.6576  116.714   8.4029  108.323   12.556  123.521   11.309  198.238   11.721  212.305   9.8576 -14.06711 15.31525 
1 1 1  -27   20   20 o  123.481   10.848   42.789   7.1626   41.818   10.865   43.536   9.5257  121.904   16.494  125.057   14.096 -3.152596 21.69666 
1 1 1  -27   20   21 o  141.812   9.8888   56.698   7.4792   49.827   11.017   62.572   10.186  133.326   15.292  150.298   12.542 -16.97244 19.77755 
1 1 1  -27   20   22 o   92.971   13.659   26.393   6.6434   19.516   10.250   31.374   8.7237   80.265   22.647  105.677   15.277 -25.41196 27.31812 
1 1 1  -27   20   23 o   48.901   14.547   1.6723   6.6905  -3.7333   10.626   5.2228   8.6119   45.513   20.503   52.288   20.643 -6.775002 29.09485 
1 1 1  -27   20   24 o  161.974   15.999   90.327   9.6750   59.347   21.503   98.191   10.834  135.277   30.182  188.671   10.626 -53.39421 31.99822 
1 1 1  -27   20   25 o  110.017   17.749   39.969   8.4547   31.644   20.153   41.747   9.3140   98.023   32.567  122.010   14.127 -23.98723 35.49892 
1 1 1  -27   20   26 o   74.133   16.971   13.279   8.2029   4.4915   10.361   28.041   13.428   54.133   22.189   94.133   25.685 -40.00092 33.94175 
1 1 1  -27   20   27 o   58.292   16.495   6.7953   7.8090   7.0982   10.226   6.3716   12.094   57.409   22.549   59.174   24.082 -1.764523 32.99080 
1 1 1  -27   20   28 o   78.264   14.766   19.077   6.4754   14.618   9.6359   22.749   8.7440   69.691   22.483   86.838   19.149 -17.14720 29.53219 
1 1 1  -27   20   29 o   76.314   15.345   17.261   6.6003   22.638   10.370   13.599   8.5576   85.327   22.257   67.302   21.129 18.02536 30.68923 
1 1 1  -27   20   30 o   85.990   13.600   23.756   6.6680   9.9480   9.9915   34.845   8.9537   61.294   22.711  110.687   14.970 -49.39236 27.20054 
1 1 1  -27   20   31 o   47.355   14.334  -1.3726   6.6691   7.4173   10.639  -7.0618   8.5594   57.930   22.921   36.780   17.218 21.15063 28.66765 
1 1 1  -27   20   32 o   84.094   13.726   19.866   6.7402   36.291   10.469   8.2392   8.8085  111.538   17.370   56.651   21.258 54.88704 27.45195 
1 1 1  -27   20   33 o  124.734   10.643   44.703   7.0441   44.532   11.012   44.821   9.1646  123.810   16.459  125.659   13.497 -1.848701 21.28545 
1 1 1  -27   20   34 o   75.334   15.625   17.337   6.7761   23.263   10.597   13.239   8.8132   85.019   22.657   65.649   21.523 19.36956 31.25055 
1 1 1  -27   20   35 o  169.439   8.6614   80.787   7.6706   82.083   12.565   80.017   9.6844  169.598   13.711  169.279   10.587 0.3186493 17.32288 
1 1 1  -27   20   36 o   66.532   15.945   13.105   6.8733   17.654   10.422   9.6052   9.1432   74.143   23.325   58.920   21.746 15.22289 31.88939 
1 1 1  -27   20   37 o  169.286   8.5792   79.574   7.7319   90.607   12.274   72.315   9.9557  178.425   12.730  160.146   11.504 18.27876 17.15839 
1 1 1  -27   20   38 o   39.864   12.839  -6.7766   6.6643 -18.3948   9.9920   2.5328   8.9442   32.509   16.015   47.220   20.072 -14.71097 25.67772 
1 1 1  -27   20   39 o  102.872   13.119   32.037   6.9569   34.778   11.249   30.338   8.8533  104.475   20.657  101.268   16.179 3.207283 26.23836 
1 1 1  -27   20   40 o   95.460   14.510   28.801   7.1447   35.348   11.478   24.660   9.1291  103.729   21.193   87.191   19.825 16.53867 29.01992 
1 1 1  -27   20   41 o  128.918   11.561   50.270   7.9615   49.779   12.121   50.643   10.559  127.255   17.627  130.581   14.964 -3.326454 23.12189 
1 1 1  -27   20   42 o   53.790   16.035  -3.0882   9.6381 -25.1126   14.027   16.608   13.265   37.593   18.604   69.987   26.121 -32.39443 32.06911 
1 1 1  -27   20   43 o   75.640   19.774   20.783   10.764   18.227   15.519   23.153   14.943   72.293   27.950   78.987   27.978 -6.693268 39.54735 
1 1 1  -27   20   45 o   62.052   18.275   14.618   10.587   5.3694   18.931   18.827   12.771   56.388   26.130   67.715   25.558 -11.32659 36.55066 
1 1 1  -27   20   46 o   55.624   16.264  -0.3769   9.2616 -17.7502   12.201   23.243   14.227   36.239   17.822   75.009   27.211 -38.76973 32.52815 
1 1 1  -27   20   47 o  146.724   10.778   68.368   8.3847   62.422   12.662   73.011   11.190  138.593   16.907  154.856   13.372 -16.26279 21.55620 
1 1 1  -27   21    1 o  124.643   10.046   43.171   6.7582   41.748   9.6828   44.523   9.4369  122.539   14.623  126.748   13.779 -4.208755 20.09191 
1 1 1  -27   21    2 o  129.612   9.8322   46.608   6.8796   44.400   9.7447   48.802   9.7139  126.465   14.260  132.760   13.541 -6.294983 19.66443 
1 1 1  -27   21    3 o  165.162   8.4941   75.187   7.5725   71.125   10.702   79.259   10.716  160.606   12.331  169.717   11.685 -9.110245 16.98830 
1 1 1  -27   21    4 o  179.032   8.2861   87.939   8.0008   92.506   11.770   84.016   10.909  183.293   11.884  174.771   11.551 8.522598 16.57224 
1 1 1  -27   21    5 o  126.106   10.145   44.273   6.8861   39.911   9.7466   48.621   9.7303  119.711   15.067  132.500   13.590 -12.78901 20.29057 
1 1 1  -27   21    6 o  274.536   9.4370  206.103   14.000   0.0000   0.0000  206.103   14.000  ?   ?   274.536   9.4370      ?      ? 
1 1 1  -27   21    7 o  186.377   8.1314   94.536   8.1265  112.689   12.141   79.801   10.938  202.531   11.094  170.223   11.892 32.30719 16.26278 
1 1 1  -27   21    8 o   69.584   15.627   13.882   6.7153   10.550   9.7550   16.884   9.2582   63.584   22.597   75.584   21.593 -12.00071 31.25479 
1 1 1  -27   21    9 o  115.933   11.070   37.395   6.9073   39.194   10.325   35.938   9.2930  118.324   16.148  113.542   15.147 4.782265 22.14024 
1 1 1  -27   21   10 o   98.670   13.142   28.380   6.7855   24.797   10.032   31.402   9.2125   91.434   20.777  105.906   16.098 -14.47117 26.28346 
1 1 1  -27   21   11 o  115.427   11.796   38.519   7.0040   30.378   10.096   46.071   9.7243  102.037   19.011  128.817   13.970 -26.78002 23.59194 
1 1 1  -27   21   12 o   66.074   15.807   12.072   6.8046   9.1472   10.046   14.551   9.2496   61.442   22.771   70.707   21.929 -9.265438 31.61339 
1 1 1  -27   21   13 o  195.175   12.214  107.073   10.170  107.793   22.937  106.897   11.347  193.062   21.987  197.288   10.644 -4.226288 24.42747 
1 1 1  -27   21   14 o   76.399   19.353   14.800   11.773 -11.2004   21.372   26.126   14.106   60.622   27.975   92.175   26.749 -31.55290 38.70580 
1 1 1  -27   21   15 o  106.562   19.493   39.358   12.925   9.7320   23.099   52.860   15.595   77.863   32.630  135.261   21.336 -57.39783 38.98654 
1 1 1  -27   21   16 o   65.938   16.033   12.035   6.9117   11.247   10.161   12.714   9.4294   64.916   23.063   66.961   22.278 -2.044762 32.06578 
1 1 1  -27   21   17 o  108.818   13.402   37.605   7.1930   20.830   10.913   50.493   9.5650   82.830   23.367  134.807   13.131 -51.97714 26.80324 
1 1 1  -27   21   18 o  134.214   10.217   52.043   7.0757   35.496   10.143   67.728   9.8753  111.934   16.769  156.495   11.678 -44.56101 20.43493 
1 1 1  -27   21   19 o  163.471   8.9240   73.753   7.8157   78.154   11.987   70.499   10.308  167.451   13.248  159.492   11.960 7.958603 17.84807 
1 1 1  -27   21   20 o   69.857   15.764   14.164   6.6960   16.861   10.104   12.052   8.9415   74.789   22.874   64.924   21.697 9.864624 31.52741 
1 1 1  -27   21   21 o   89.935   13.909   23.442   7.0678   39.145   10.514   10.496   9.5467  117.376   16.577   62.494   22.339 54.88176 27.81756 
1 1 1  -27   21   22 f   52.287   15.130   4.0612   6.7424   4.5779   10.289   3.6723   8.9259   54.205   22.153   50.369   20.615 3.836048 30.26091 
1 1 1  -27   21   23 o   71.894   15.633   15.016   6.8382   21.060   10.161   10.013   9.2448   82.712   22.249   61.075   21.967 21.63728 31.26585 
1 1 1  -27   21   24 o   81.588   14.750   19.456   6.6606   28.525   10.301   12.939   8.7317   97.045   20.295   66.130   21.409 30.91422 29.49978 
1 1 1  -27   21   25 o  141.676   16.347   62.603   9.1889   58.626   21.157   63.528   10.201  132.616   30.200  150.736   12.524 -18.12032 32.69379 
1 1 1  -27   21   26 o   74.439   18.881   6.2156   8.2621   37.005   19.918  -0.1830   9.0801  103.577   32.189   45.300   19.744 58.27773 37.76158 
1 1 1  -27   21   27 o  145.210   11.981   60.431   9.1333   59.332   11.594   62.230   14.828  144.534   14.845  145.885   18.809 -1.351105 23.96154 
1 1 1  -27   21   28 f   62.905   14.620   6.8681   6.8200   23.117   10.719  -4.1830   8.8400   85.614   22.773   40.197   18.341 45.41675 29.24087 
1 1 1  -27   21   29 o  112.169   12.012   37.243   7.0000   34.186   10.520   39.673   9.3772  106.428   18.989  117.910   14.718 -11.48186 24.02480 
1 1 1  -27   21   30 o   81.224   15.698   21.112   7.1010   18.750   10.853   22.880   9.3899   76.697   23.748   85.751   20.536 -9.054214 31.39576 
1 1 1  -27   21   31 o   41.890   13.165  -4.0313   6.5095 -14.2475   9.9348   3.6544   8.6170   34.980   16.954   48.799   20.146 -13.81949 26.33052 
1 1 1  -27   21   32 o   82.561   15.361   22.159   6.9047   19.161   11.205   23.994   8.7672   76.823   24.187   88.298   18.942 -11.47566 30.72151 
1 1 1  -27   21   33 o  143.908   9.8817   58.869   7.6365   62.176   11.571   56.317   10.165  147.134   14.553  140.681   13.371 6.452301 19.76335 
1 1 1  -27   21   34 f   81.518   15.993   20.899   7.3165   26.815   11.193   16.485   9.6677   91.072   22.798   71.963   22.436 19.10892 31.98588 
1 1 1  -27   21   35 o   63.417   15.587   10.304   6.8025   20.054   10.861   4.0105   8.7262   77.825   23.697   49.009   20.256 28.81630 31.17457 
1 1 1  -27   21   36 o   89.508   15.319   25.374   7.2536   30.582   11.383   21.812   9.4121   96.858   22.220   82.157   21.093 14.70126 30.63735 
1 1 1  -27   21   37 o  118.889   12.827   46.542   7.2822   29.090   11.292   58.970   9.5285   93.923   22.537  143.855   12.258 -49.93285 25.65452 
1 1 1  -27   21   38 o   54.175   15.418   7.0828   7.0597   3.2523   10.852   9.8931   9.2954   50.503   21.798   57.847   21.811 -7.343952 30.83639 
1 1 1  -27   21   39 o   92.634   15.701   28.814   7.7728   34.153   11.537   24.376   10.518  101.055   21.770   84.213   22.629 16.84120 31.40124 
1 1 1  -27   21   40 o   74.125   17.837   17.902   9.6777   4.5878   13.849   30.608   13.529   56.042   24.406   92.207   26.020 -36.16525 35.67424 
1 1 1  -27   21   41 f  105.440   18.739   40.449   10.888   48.896   15.166   31.464   15.641  119.744   24.270   91.136   28.558 28.60793 37.47762 
1 1 1  -27   21   42 o   81.956   19.571   27.182   10.523   22.241   15.721   31.194   14.165   74.602   28.308   89.309   27.033 -14.70670 39.14244 
1 1 1  -27   21   43 o   46.841   15.921  -7.1975   11.613 -14.3604   19.667  -3.3626   14.390   47.060   23.038   46.622   21.981 0.4386215 31.84198 
1 1 1  -27   21   44 o   71.449   20.299   20.325   11.658   28.333   19.071   15.547   14.731   77.901   30.731   64.997   26.529 12.90343 40.59762 
1 1 1  -27   21   45 o   41.856   19.716  -4.7826   11.530  -4.7826   11.530   0.0000   0.0000   41.856   19.716  ?   ?       ?      ? 
1 1 1  -27   21   46 f   77.493   17.077   24.262   7.8775   29.255   12.116   20.606   10.368   83.638   24.932   71.348   23.342 12.28952 34.15377 
1 1 1  -27   22    1 o  326.924   9.3894  292.727   16.587   0.0000   0.0000  292.727   16.587  ?   ?   326.924   9.3894      ?      ? 
1 1 1  -27   22    2 o  119.061   10.810   39.685   6.8244   30.390   9.3797   50.140   9.9476  103.834   16.717  134.289   13.708 -30.45470 21.61903 
1 1 1  -27   22    3 f  158.029   8.6661   69.024   7.3546   79.430   10.596   59.351   10.216  169.719   11.554  146.338   12.920 23.38104 17.33228 
1 1 1  -27   22    4 o  128.011   10.618   46.191   7.2780   40.877   10.556   51.007   10.049  120.580   16.200  135.441   13.730 -14.86090 21.23563 
1 1 1  -27   22    5 o   51.173   14.924   3.1883   6.6831   3.5091   9.3685   2.8560   9.5364   51.454   21.096   50.892   21.116 0.5617714 29.84857 
1 1 1  -27   22    6 o   65.184   15.676   11.796   6.6100   12.587   9.3086   10.992   9.3877   66.658   22.133   63.711   22.207 2.946373 31.35296 
1 1 1  -27   22    7 o   97.385   14.357   28.100   7.2974   28.862   10.701   27.437   9.9769   98.466   20.766   96.303   19.833 2.163246 28.71486 
1 1 1  -27   22    8 o  123.081   11.102   42.055   7.3148   50.982   10.940   34.838   9.8367  134.964   15.001  111.199   16.371 23.76469 22.20442 
1 1 1  -27   22    9 o   83.321   14.330   21.340   6.8684   11.256   10.412   29.110   9.1390   65.105   23.323  101.536   16.657 -36.43169 28.66017 
1 1 1  -27   22   10 o  209.655   7.8193  122.563   8.7490  108.207   12.894  134.812   11.911  197.748   12.066  221.562   9.9483 -23.81435 15.63867 
1 1 1  -27   22   11 o  134.520   16.191   37.600   9.5340   90.743   23.235   26.840   10.455  174.474   24.645   94.567   21.005 79.90717 32.38173 
1 1 1  -27   22   12 o   92.106   22.385   22.614   12.779   40.225   23.276   15.016   15.289  109.273   34.910   74.939   28.028 34.33470 44.76921 
1 1 1  -27   22   13 o   93.114   22.598   23.163   12.700   41.284   24.150   16.236   14.931  110.034   35.602   76.193   27.841 33.84093 45.19543 
1 1 1  -27   22   14 o  170.659   11.728   86.258   9.9348   93.589   12.242   72.117   17.002  183.578   12.341  157.740   19.946 25.83725 23.45549 
1 1 1  -27   22   15 o   43.604   13.744  -2.5011   6.5872  -4.5008   9.6690  -0.7692   8.9986   42.439   19.293   44.769   19.580 -2.330467 27.48802 
1 1 1  -27   22   16 o   56.463   15.389   6.5843   6.6954   10.091   9.9458   3.6784   9.0543   62.223   22.724   50.703   20.758 11.51995 30.77833 
1 1 1  -27   22   17 o  151.460   9.5014   65.441   7.5529   48.850   10.807   81.281   10.560  131.590   15.199  171.330   11.406 -39.74017 19.00271 
1 1 1  -27   22   18 o   52.697   14.772   3.7079   6.5564   10.321   9.7160  -1.8207   8.8840   62.218   22.500   43.176   19.145 19.04224 29.54304 
1 1 1  -27   22   19 o   91.077   14.695   25.784   7.2808   18.117   10.994   31.772   9.7171   76.835   23.920  105.319   17.074 -28.48393 29.38904 
1 1 1  -27   22   20 o   64.162   15.857   11.632   6.7498   11.647   10.072   11.619   9.0938   64.575   22.960   63.749   21.877 0.8254585 31.71386 
1 1 1  -27   22   21 o  171.693   8.4685   81.979   7.7605   83.423   11.982   80.935   10.185  172.594   12.848  170.791   11.036 1.802414 16.93698 
1 1 1  -27   22   22 o  131.391   10.105   48.814   7.1659   47.552   10.299   49.999   9.9771  129.572   14.709  133.209   13.861 -3.636536 20.21074 
1 1 1  -27   22   23 o  125.387   10.476   44.455   7.0856   47.104   10.401   42.162   9.6788  128.809   14.944  121.964   14.686 6.844688 20.95196 
1 1 1  -27   22   24 o   60.774   15.725   9.9161   6.8081   7.3231   10.295   11.932   9.0763   57.518   22.614   64.030   21.858 -6.512287 31.45066 
1 1 1  -27   22   25 o   55.224   15.580   6.2599   6.9606   6.3052   10.597   6.2255   9.2315   56.323   22.677   54.124   21.371 2.199005 31.16037 
1 1 1  -27   22   26 f  156.484   15.941   78.599   9.4968   69.257   22.252   80.680   10.501  143.028   29.760  169.939   11.436 -26.91066 31.88192 
1 1 1  -27   22   27 o   84.971   20.041   20.978   8.9378   30.631   21.214   18.895   9.8551   92.649   33.281   77.292   22.337 15.35686 40.08224 
1 1 1  -27   22   28 o   73.202   16.966   13.275   8.2355   3.9269   10.339   29.504   13.623   52.281   21.864   94.122   25.948 -41.84095 33.93104 
1 1 1  -27   22   29 o  112.375   13.158   36.714   7.6171   51.065   11.902   26.757   9.9134  132.167   16.664   92.583   20.369 39.58392 26.31694 
1 1 1  -27   22   30 o   56.834   14.915   6.8611   7.0704  -5.1189   10.997   15.304   9.2314   43.927   20.197   69.741   21.953 -25.81385 29.83039 
1 1 1  -27   22   31 o   43.826   13.992  -2.6544   6.9516  -2.7486   10.794  -2.5877   9.0871   45.628   20.599   42.024   18.943 3.603966 27.98488 
1 1 1  -27   22   32 o   74.306   16.199   18.067   7.1845   15.356   11.392   19.857   9.2579   69.787   24.455   78.824   21.251 -9.037537 32.39831 
1 1 1  -27   22   33 o   67.530   16.249   14.614   7.1781   11.708   11.060   16.729   9.4349   63.234   23.802   71.826   22.127 -8.592361 32.49817 
1 1 1  -27   22   34 o  152.163   9.9589   67.491   8.0791   62.245   12.121   71.684   10.837  145.840   15.381  158.486   12.654 -12.64586 19.91772 
1 1 1  -27   22   35 o  122.463   11.373   44.597   7.4255   43.311   11.326   45.567   9.8340  119.931   17.476  124.995   14.560 -5.063248 22.74661 
1 1 1  -27   22   36 o   82.645   15.693   23.658   7.1707   20.547   11.392   25.700   9.2283   76.270   24.429   89.021   19.705 -12.75162 31.38554 
1 1 1  -27   22   37 o   70.655   18.264   15.963   8.7742   11.513   10.835   24.437   14.954   61.160   23.431   80.150   28.022 -18.99013 36.52716 
1 1 1  -27   22   38 o   44.820   15.119 -11.5801   10.214  -8.2410   13.635 -15.8513   15.421   45.477   21.428   44.162   21.336 1.314468 30.23886 
1 1 1  -27   22   39 o  131.026   16.232   57.218   11.010   44.459   15.536   70.090   15.605  112.015   26.144  150.037   19.248 -38.02164 32.46498 
1 1 1  -27   22   40 o   43.757   14.853 -11.4783   10.149 -11.8378   13.916 -11.0698   14.835   42.815   20.580   44.700   21.423 -1.884869 29.70680 
1 1 1  -27   22   41 f   47.829   16.080  -1.9951   9.1452   0.7500   20.539  -2.6740   10.213   54.488   25.859   41.171   19.118 13.31685 32.15906 
1 1 1  -27   22   42 o   61.599   18.987   11.694   11.823   8.9482   19.304   13.342   14.956   60.691   27.460   62.507   26.228 -1.816784 37.97342 
1 1 1  -27   22   43 o   48.677   16.322  -4.5580   11.528 -11.5248   18.762  -0.3327   14.612   47.895   23.234   49.459   22.932 -1.563549 32.64471 
1 1 1  -27   22   44 o   47.843   14.606   0.2476   7.5369   14.879   11.421 -11.0394   10.031   61.094   23.878   34.592   16.828 26.50150 29.21227 
1 1 1  -27   23    1 o  147.957   9.6488   60.801   7.6345   73.863   11.262   49.695   10.385  162.866   12.797  133.048   14.445 29.81746 19.29763 
1 1 1  -27   23    2 o  317.817   9.3417  277.353   16.043   0.0000   0.0000  277.353   16.043  ?   ?   317.817   9.3417      ?      ? 
1 1 1  -27   23    3 o   84.385   14.832   21.662   6.8140   26.068   9.5871   17.164   9.6865   93.437   19.613   75.334   22.254 18.10303 29.66313 
1 1 1  -27   23    4 o  176.193   11.733   86.031   11.171   0.0000   0.0000   86.031   11.171  ?   ?   176.193   11.733      ?      ? 
1 1 1  -27   23    5 o   34.730   11.752 -11.9551   6.3188 -16.4254   8.9032  -7.4179   8.9695   31.496   15.436   37.964   17.724 -6.467819 23.50363 
1 1 1  -27   23    6 o   82.693   15.467   20.630   7.0010   23.410   10.481   18.391   9.4076   87.529   22.143   77.858   21.601 9.670769 30.93431 
1 1 1  -27   23    7 o   80.013   15.406   18.825   7.0496   26.914   10.555   12.312   9.4718   94.276   21.230   65.750   22.329 28.52609 30.81112 
1 1 1  -27   23    8 o   92.719   14.963   25.747   7.2818   28.636   11.121   23.579   9.6344   97.066   21.742   88.372   20.562 8.694054 29.92507 
1 1 1  -27   23    9 o   70.454   20.447   9.0883   9.3638   14.023   25.028   8.2852   10.097   81.515   34.047   59.394   22.651 22.12061 40.89310 
1 1 1  -27   23   10 o  139.448   20.962   61.251   14.745   69.257   25.045   57.005   18.242  143.700   32.956  135.196   25.913 8.503662 41.92341 
1 1 1  -27   23   11 o  161.262   17.901   79.818   14.590   79.167   23.941   80.203   18.401  156.977   29.302  165.548   20.570 -8.571136 35.80135 
1 1 1  -27   23   12 o   79.306   18.060   19.905   9.0270   23.875   11.125   12.252   15.445   87.788   23.128   70.823   27.744 16.96547 36.11952 
1 1 1  -27   23   13 o   62.989   14.762   9.2841   6.9551  -2.6637   10.101   20.056   9.5909   45.094   20.177   80.884   21.554 -35.79004 29.52437 
1 1 1  -27   23   14 o  181.149   8.3453   91.033   8.1547   95.668   11.974   87.023   11.136  185.370   11.954  176.929   11.648 8.440933 16.69066 
1 1 1  -27   23   15 o   86.145   14.314   22.698   6.9327   13.777   9.9511   31.112   9.6637   68.284   22.889  104.006   17.195 -35.72198 28.62798 
1 1 1  -27   23   16 o  126.818   10.851   46.318   7.2383   34.561   10.199   58.252   10.275  109.556   17.228  144.081   13.197 -34.52517 21.70137 
1 1 1  -27   23   17 o  131.787   10.699   49.587   7.5633   46.347   11.137   52.360   10.304  127.306   16.190  136.268   13.993 -8.962196 21.39881 
1 1 1  -27   23   18 o  166.683   8.8986   77.147   7.9440   82.123   12.209   73.493   10.462  171.016   13.211  162.351   11.925 8.665192 17.79720 
1 1 1  -27   23   19 o   56.399   15.408   7.3044   6.6398   7.7899   9.8928   6.9065   8.9570   57.773   22.322   55.024   21.245 2.748951 30.81580 
1 1 1  -27   23   20 o  119.148   11.116   39.473   7.0438   50.667   10.978   31.639   9.1832  133.306   15.240  104.990   16.187 28.31594 22.23231 
1 1 1  -27   23   21 o   87.463   14.670   23.963   6.8519   20.272   10.185   27.015   9.2609   80.304   22.546   94.622   18.775 -14.31759 29.33995 
1 1 1  -27   23   22 o  103.123   13.957   31.582   7.5551   42.333   11.357   23.047   10.119  120.548   17.435   85.697   21.800 34.85074 27.91394 
1 1 1  -27   23   23 o   66.488   15.963   11.553   7.1058   20.801   11.178   5.2819   9.2051   80.535   23.934   52.442   21.128 28.09256 31.92523 
1 1 1  -27   23   24 o   73.804   15.982   17.294   7.0786   13.949   10.488   20.092   9.5929   67.844   23.482   79.764   21.686 -11.91972 31.96414 
1 1 1  -27   23   25 o  114.089   12.047   38.248   7.3422   36.815   11.095   39.365   9.7933  111.436   18.425  116.742   15.524 -5.305603 24.09344 
1 1 1  -27   23   26 o  113.682   12.403   38.082   7.6021   38.465   11.140   37.748   10.400  113.909   18.099  113.454   16.964 0.4546585 24.80579 
1 1 1  -27   23   27 o  146.434   14.481   53.950   9.2421   87.297   22.251   46.997   10.160  165.048   24.949  127.819   14.710 37.22940 28.96245 
1 1 1  -27   23   28 o   92.413   14.677   24.077   7.6252   44.154   12.380   11.806   9.6790  121.567   18.846   63.259   22.506 58.30760 29.35449 
1 1 1  -27   23   29 o   74.532   18.128   15.656   9.1684   7.1860   11.792   28.604   14.579   58.156   23.736   90.909   27.406 -32.75261 36.25550 
1 1 1  -27   23   30 o   54.503   15.563   6.3390   7.2063   2.2263   11.248   9.2020   9.3852   51.074   22.118   57.932   21.899 -6.857758 31.12504 
1 1 1  -27   23   31 f   51.483   15.323   4.1054   7.2201   3.4857   10.975   4.5783   9.5870   51.899   22.151   51.066   21.179 0.8331604 30.64650 
1 1 1  -27   23   32 o   64.260   16.557   12.669   7.4009   12.580   11.498   12.731   9.6707   64.570   24.275   63.949   22.523 0.6213303 33.11492 
1 1 1  -27   23   33 o   55.801   15.358   6.6035   7.3636  -2.6702   10.727   14.869   10.127   44.493   20.264   67.109   23.083 -22.61525 30.71530 
1 1 1  -27   23   34 o   44.667   14.226  -1.1613   7.1421   0.8028   10.973  -2.6050   9.4075   47.806   21.234   41.528   18.938 6.277348 28.45182 
1 1 1  -27   23   35 o   61.886   16.651   10.149   8.7661   19.800   11.557  -2.9279   13.452   75.004   24.650   48.769   22.391 26.23489 33.30135 
1 1 1  -27   23   36 o  133.953   16.422   59.062   11.568   55.428   15.389   63.784   17.541  131.114   21.720  136.791   24.637 -5.677353 32.84448 
1 1 1  -27   23   37 o   51.536   17.060  -5.6007   11.597  -3.8221   14.577  -8.6667   19.139   49.937   23.065   53.136   25.143 -3.199268 34.12026 
1 1 1  -27   23   38 o   58.700   17.612   8.3510   10.147   16.176   14.084  -0.0943   14.632   66.446   26.346   50.954   23.379 15.49163 35.22394 
1 1 1  -27   23   39 o   41.728   13.801  -3.5792   7.7257  -2.1104   11.318  -4.8606   10.571   43.387   20.140   40.069   18.876 3.317631 27.60273 
1 1 1  -27   23   40 o   61.885   18.592   10.456   12.174  -8.8514   19.834   22.126   15.421   51.055   24.548   72.716   27.929 -21.66061 37.18418 
1 1 1  -27   23   41 o   60.267   18.524   10.736   12.072  -3.1216   19.347   19.572   15.449   52.407   24.937   68.126   27.398 -15.71933 37.04740 
1 1 1  -27   23   42 o   72.671   18.775   22.890   9.3574   18.410   11.802   30.473   15.355   66.122   24.646   79.220   28.329 -13.09836 37.55001 
1 1 1  -27   24    1 o   66.574   15.559   12.784   6.8207   7.1631   9.8834   17.896   9.4248   56.897   22.220   76.250   21.787 -19.35283 31.11894 
1 1 1  -27   24    2 o   90.987   14.219   24.681   7.2011   37.840   10.572   13.292   9.8355  114.704   17.057   67.270   22.754 47.43439 28.43754 
1 1 1  -27   24    3 o  170.727   8.5687   81.320   7.8950   86.628   11.245   76.159   11.087  176.362   11.799  165.092   12.428 11.26999 17.13736 
1 1 1  -27   24    4 o  102.866   13.520   31.621   7.2302   32.496   10.525   30.840   9.9492  104.087   19.427  101.646   18.807 2.441315 27.03904 
1 1 1  -27   24    5 o   61.964   15.669   10.548   6.6494   11.357   9.4272   9.7470   9.3804   63.426   22.245   60.502   22.073 2.924034 31.33807 
1 1 1  -27   24    6 o  142.867   10.319   58.602   7.7715   44.636   11.030   72.372   10.952  124.880   16.345  160.853   12.600 -35.97316 20.63774 
1 1 1  -27   24    7 o  109.987   23.976   37.696   14.724   59.752   27.110   28.468   17.535  127.378   37.117   92.597   30.360 34.78040 47.95158 
1 1 1  -27   24    8 o  145.775   20.169   70.811   14.710   60.698   24.628   76.419   18.340  131.182   34.341  160.368   21.164 -29.18692 40.33856 
1 1 1  -27   24    9 o   73.350   20.976   9.9021   14.441 -14.6306   24.136   23.581   18.023   60.771   28.596   85.929   30.696 -25.15834 41.95205 
1 1 1  -27   24   10 o   72.107   16.549   15.784   7.3923   17.059   10.436   14.500   10.472   74.468   23.326   69.746   23.480 4.721748 33.09713 
1 1 1  -27   24   11 o   61.918   16.223   10.099   7.2088   9.7457   10.062   10.472   10.333   61.180   22.766   62.656   23.119 -1.475266 32.44696 
1 1 1  -27   24   12 o   95.650   14.323   27.294   7.3330   34.912   10.781   20.735   10.004  109.610   18.202   81.691   22.119 27.91887 28.64501 
1 1 1  -27   24   13 o   66.284   16.183   12.771   7.1264   10.053   10.447   15.138   9.7462   62.002   23.173   70.565   22.595 -8.562378 32.36512 
1 1 1  -27   24   14 o  189.520   11.546  100.112   11.824   0.0000   0.0000  100.112   11.824  ?   ?   189.520   11.546      ?      ? 
1 1 1  -27   24   15 o   46.546   13.941  -3.1563   6.9704 -15.6168   10.023   8.5151   9.7004   34.613   16.835   58.479   22.225 -23.86600 27.88121 
1 1 1  -27   24   16 o   61.864   16.093   10.419   7.0857   11.316   9.7898   9.4324   10.269   63.209   22.619   60.519   22.899 2.690659 32.18646 
1 1 1  -27   24   17 o  107.660   13.271   34.909   7.2567   53.370   10.729   19.344   9.8518  136.891   14.505   78.428   22.229 58.46284 26.54245 
1 1 1  -27   24   18 o   74.756   15.269   16.880   7.0395   26.089   10.124   8.2592   9.7948   91.613   20.912   57.900   22.254 33.71331 30.53765 
1 1 1  -27   24   19 o   66.316   15.978   13.242   6.8636   12.629   9.7402   13.846   9.6732   65.205   22.626   67.428   22.567 -2.223259 31.95639 
1 1 1  -27   24   20 o   93.255   14.783   27.066   7.3269   34.240   10.657   20.636   10.090  106.008   19.316   80.503   22.383 25.50501 29.56567 
1 1 1  -27   24   21 o  137.566   10.098   54.134   7.5016   54.006   10.796   54.254   10.431  137.260   14.556  137.871   14.001 -0.6109924 20.19664 
1 1 1  -27   24   22 o  123.333   11.809   44.630   7.8359   42.266   11.393   46.752   10.794  119.694   17.615  126.972   15.733 -7.277924 23.61810 
1 1 1  -27   24   23 o   93.757   15.175   27.459   7.4759   31.342   11.420   24.548   9.8894   99.370   21.862   88.144   21.052 11.22570 30.35031 
1 1 1  -27   24   24 o   81.581   15.199   21.481   7.2672   11.850   10.499   30.340   10.069   63.895   23.346   99.267   19.468 -35.37214 30.39754 
1 1 1  -27   24   25 f   89.964   15.316   25.719   7.5124   33.825   10.875   18.322   10.390  104.537   19.981   75.390   23.218 29.14691 30.63168 
1 1 1  -27   24   26 o   66.684   15.732   13.757   7.1577   6.1502   10.903   19.518   9.4885   55.504   22.758   77.864   21.727 -22.35920 31.46392 
1 1 1  -27   24   27 o   58.354   14.932   4.2443   7.2304   20.710   11.067  -8.0173   9.5504   78.764   23.908   37.945   17.895 40.81928 29.86356 
1 1 1  -27   24   28 o   76.911   19.944   10.106   9.2184   43.581   21.682   2.7200   10.185  104.131   33.739   49.691   21.277 54.44032 39.88750 
1 1 1  -27   24   29 o   75.532   16.257   15.007   7.9948   33.993   13.131   3.8232   10.078  100.285   24.452   50.780   21.431 49.50446 32.51419 
1 1 1  -27   24   30 o   76.546   17.481   17.396   8.7596   7.2935   11.167   33.559   14.124   56.189   23.034   96.903   26.301 -40.71400 34.96128 
1 1 1  -27   24   31 o   51.295   15.527   4.1441   7.6681   4.9058   10.938   3.4079   10.753   52.291   22.211   50.298   21.704 1.992439 31.05459 
1 1 1  -27   24   32 o   49.335   15.880  -1.2007   8.8233  -2.1192   10.861   0.5818   15.130   44.932   20.435   53.738   24.313 -8.805607 31.75998 
1 1 1  -27   24   33 o   65.927   18.642   12.454   10.410   19.640   14.685   5.1982   14.758   74.191   27.524   57.662   25.150 16.52855 37.28435 
1 1 1  -27   24   34 o   93.169   18.289   29.582   10.561   13.617   14.115   49.887   15.919   66.414   26.362  119.925   25.357 -53.51167 36.57795 
1 1 1  -27   24   35 o   60.007   17.767   6.1732   10.779   18.658   14.457  -9.4527   16.174   71.800   27.170   48.215   22.901 23.58506 35.53370 
1 1 1  -27   24   36 o   84.556   16.254   29.607   9.2040   10.052   14.645   42.373   11.833   58.224   25.226  110.888   20.503 -52.66425 32.50726 
1 1 1  -27   24   37 o   46.648   14.696   0.7365   7.6877   8.3430   11.334  -5.7450   10.462   53.900   22.736   39.397   18.626 14.50300 29.39133 
1 1 1  -27   24   38 o   39.019   13.655 -15.8550   9.0678 -32.5225   19.844 -11.4563   10.194   42.424   21.180   35.613   17.240 6.810684 27.31010 
1 1 1  -27   24   39 o   57.672   18.454   8.3991   11.841   11.752   20.169   6.6351   14.628   60.940   27.766   54.405   24.317 6.535439 36.90891 
1 1 1  -27   24   40 o   54.375   17.998  -4.6572   12.011   28.874   21.717 -19.4347   14.417   70.731   30.682   38.020   18.823 32.71103 35.99574 
1 1 1  -27   25    1 o  120.249   11.029   41.539   7.1532   43.628   10.022   39.369   10.212  123.595   15.007  116.902   16.167 6.693321 22.05814 
1 1 1  -27   25    2 o   54.580   15.099   6.6268   6.4724   7.4291   8.9223   5.7357   9.4034   55.561   21.267   53.598   21.438 1.962616 30.19776 
1 1 1  -27   25    3 o   41.906   13.364  -5.3059   6.7035 -12.4014   9.3867   2.0792   9.5763   34.939   16.821   48.874   20.771 -13.93502 26.72852 
1 1 1  -27   25    4 o  124.373   19.983   58.769   10.260   37.883   27.329   62.195   11.069  100.553   37.500  148.193   13.823 -47.63993 39.96673 
1 1 1  -27   25    5 o   76.705   22.530   7.2279   14.635   33.716   26.790  -4.0405   17.473   96.469   36.870   56.941   25.906 39.52822 45.06063 
1 1 1  -27   25    6 o   96.641   24.014   32.847   15.227   36.374   24.749   30.698   19.316   99.380   35.915   93.902   31.888 5.477638 48.02826 
1 1 1  -27   25    7 o   78.950   22.063   11.201   14.215   36.554   23.975  -2.5428   17.652   99.674   35.425   58.227   26.310 41.44709 44.12642 
1 1 1  -27   25    8 o  104.278   13.610   33.200   7.3685   42.215   10.386   24.064   10.455  121.128   15.868   87.428   22.115 33.69972 27.21907 
1 1 1  -27   25    9 o  128.883   10.845   47.695   7.5315   43.766   10.645   51.632   10.657  123.239   15.985  134.526   14.660 -11.28668 21.68998 
1 1 1  -27   25   10 o   51.982   15.091   3.8304   6.8892   0.3182   9.4282   7.8541   10.091   46.304   20.151   57.660   22.470 -11.35539 30.18220 
1 1 1  -27   25   11 o   78.046   14.566   18.872   6.9432   7.4793   9.9109   29.853   9.7299   56.805   22.232   99.286   18.824 -42.48106 29.13100 
1 1 1  -27   25   12 o   48.696   14.657   1.8652   6.8394  -0.9713   9.9632   4.3931   9.4056   45.943   20.328   51.449   21.121 -5.505260 29.31421 
1 1 1  -27   25   13 o   68.821   16.454   14.529   7.2728   14.696   10.253   14.360   10.318   69.116   23.233   68.527   23.305 0.5880585 32.90753 
1 1 1  -27   25   14 o  119.614   16.726   41.677   10.811   0.0000   0.0000   41.677   10.811  ?   ?   119.614   16.726      ?      ? 
1 1 1  -27   25   15 o   61.457   15.078   8.8155   7.0465  -1.6283   9.9455   19.342   9.9850   45.062   20.102   77.851   22.480 -32.78939 30.15693 
1 1 1  -27   25   16 o   80.296   15.418   20.375   7.1012   27.379   10.212   13.815   9.8819   93.507   20.751   67.084   22.807 26.42383 30.83512 
1 1 1  -27   25   17 o   82.767   15.240   21.878   7.1320   14.723   10.075   29.065   10.097   68.723   23.031   96.812   19.964 -28.08923 30.47953 
1 1 1  -27   25   18 o   69.541   16.355   15.159   7.1809   15.674   10.411   14.692   9.9178   70.484   23.407   68.599   22.849 1.884865 32.71001 
1 1 1  -27   25   19 o   70.368   16.395   15.557   7.2361   16.996   10.417   14.216   10.059   72.957   23.359   67.780   23.011 5.177269 32.78979 
1 1 1  -27   25   20 o  156.744   13.613   70.044   11.530   0.0000   0.0000   70.044   11.530  ?   ?   156.744   13.613      ?      ? 
1 1 1  -27   25   21 o   52.332   15.218   4.0916   7.0770   8.6966   10.233  -0.1305   9.7982   58.502   22.674   46.161   20.303 12.34148 30.43610 
1 1 1  -27   25   22 o   61.311   16.420   10.460   7.4867   9.3312   10.700   11.543   10.479   59.685   23.172   62.938   23.270 -3.252651 32.83942 
1 1 1  -27   25   23 o   49.120   14.643   1.6942   7.0691  -5.7091   10.334   8.2062   9.6917   41.617   19.292   56.624   22.033 -15.00698 29.28550 
1 1 1  -27   25   24 o   53.550   15.413   4.7857   7.2061   10.942   10.709  -0.3083   9.7416   61.690   23.374   45.411   20.096 16.27873 30.82548 
1 1 1  -27   25   25 o   87.502   16.468   24.954   7.9355   31.278   12.110   20.195   10.505   97.070   23.367   77.934   23.212 19.13580 32.93690 
1 1 1  -27   25   26 o   46.158   14.716  -1.7318   7.7479  -4.1185   11.896   0.0265   10.210   45.830   21.048   46.486   20.573 -0.6558456 29.43202 
1 1 1  -27   25   27 o   92.619   22.190   28.751   10.960   0.0000   0.0000   28.751   10.960  ?   ?    92.619   22.190      ?      ? 
1 1 1  -27   25   28 f   44.200   14.450  -4.4235   8.0676  -1.7001   12.074  -6.6199   10.843   47.312   21.529   41.089   19.281 6.222248 28.90048 
1 1 1  -27   25   29 o  100.249   20.285   42.984   13.161   21.268   22.618   54.099   16.182   75.761   32.046  124.737   24.880 -48.97513 40.57100 
1 1 1  -27   25   30 o   96.897   19.421   35.525   11.868   51.824   16.494   18.029   17.089  121.405   25.931   72.388   28.920 49.01649 38.84245 
1 1 1  -27   25   31 o  113.525   27.060   46.306   16.365   46.306   16.365   0.0000   0.0000  113.525   27.060  ?   ?       ?      ? 
1 1 1  -27   25   32 o   61.578   17.587   4.6323   11.165   23.446   14.656 -21.3806   17.233   78.925   27.733   44.231   21.634 34.69464 35.17364 
1 1 1  -27   25   33 o   54.050   16.310   3.2942   8.6675   16.813   13.758  -5.6024   11.161   66.664   26.164   41.435   19.481 25.22849 32.62011 
1 1 1  -27   25   34 o   58.329   16.064   11.552   7.9676   2.5189   12.169   18.329   10.541   48.391   21.857   68.268   23.546 -19.87796 32.12717 
1 1 1  -27   25   35 f   57.102   16.417   9.7787   7.9606   13.509   11.815   6.6773   10.773   61.848   24.255   52.355   22.130 9.493034 32.83335 
1 1 1  -27   25   36 o   45.029   14.631  -1.8442   8.0979   1.8552   12.145  -4.8053   10.866   48.773   21.950   41.285   19.350 7.487671 29.26143 
1 1 1  -27   25   37 o   56.287   18.346   7.4775   12.581   5.9054   21.982   8.2432   15.342   57.183   27.024   55.391   24.820 1.792652 36.69236 
1 1 1  -27   26    1 o   67.104   15.376   13.076   6.7851   6.2952   9.3309   20.684   9.8841   53.800   21.409   80.408   22.076 -26.60717 30.75221 
1 1 1  -27   26    2 f   92.707   24.307   31.724   15.974   34.414   25.263   29.932   20.619   94.699   35.897   90.714   32.782 3.985107 48.61311 
1 1 1  -27   26    3 o   91.931   23.633   31.457   15.320   25.293   25.843   34.797   19.022   86.186   35.153   97.676   31.597 -11.48979 47.26591 
1 1 1  -27   26    4 o   61.145   20.048  -6.4937   15.933 -22.6126   27.071   2.0495   19.708   58.971   28.436   63.319   28.268 -4.348183 40.09623 
1 1 1  -27   26    5 o   50.386   15.414  -0.0622   8.4151   7.9630   9.4715 -30.1351   18.335   56.596   21.848   44.176   21.749 12.41931 30.82839 
1 1 1  -27   26    6 o   75.687   15.864   18.399   7.0599   21.583   9.7334   14.864   10.255   82.340   21.605   69.034   23.236 13.30560 31.72829 
1 1 1  -27   26    7 o  150.848   9.6270   64.865   7.8456   64.761   10.980   64.974   11.214  150.804   13.475  150.891   13.753 -0.8660889E-01 19.25406 
1 1 1  -27   26    8 o   78.671   13.364   16.800   7.1328  -0.1383   9.7296   36.480   10.488   46.081   20.251  111.261   17.444 -65.18044 26.72796 
1 1 1  -27   26    9 f   46.374   14.233  -0.0561   6.7559  -4.2191   9.4161   4.3605   9.6987   41.182   18.844   51.566   21.337 -10.38434 28.46670 
1 1 1  -27   26   10 f   53.135   15.034   4.2007   7.0983   11.493   9.7830  -3.9061   10.315   62.751   22.594   43.520   19.840 19.23012 30.06874 
1 1 1  -27   26   11 o  131.762   10.899   50.240   7.7573   50.107   11.111   50.367   10.835  131.461   15.641  132.062   15.183 -0.6009827 21.79860 
1 1 1  -27   26   12 o  131.959   10.906   50.258   7.7532   51.879   11.483   48.900   10.511  133.636   15.901  130.283   14.930 3.353302 21.81216 
1 1 1  -27   26   13 o  150.971   9.7907   65.337   7.9507   60.179   11.442   70.154   11.056  144.711   14.632  157.231   13.013 -12.52039 19.58138 
1 1 1  -27   26   14 o   54.334   15.733   5.4819   7.3627   4.0834   10.182   7.0144   10.659   52.006   21.719   56.661   22.768 -4.655151 31.46539 
1 1 1  -27   26   15 o  110.343   12.499   36.677   7.1648   38.690   9.5730   34.112   10.803  115.599   15.325  105.087   19.750 10.51185 24.99854 
1 1 1  -27   26   16 o   72.221   15.945   16.299   7.0039   12.096   9.4665   21.382   10.411   63.388   22.288   81.054   22.808 -17.66548 31.89005 
1 1 1  -27   26   17 o  158.991   9.7118   72.931   8.2900   65.640   11.924   79.751   11.533  150.616   14.651  167.367   12.753 -16.75064 19.42354 
1 1 1  -27   26   18 o  167.982   9.7273   81.364   8.7785   79.229   13.011   83.148   11.893  165.337   14.563  170.628   12.899 -5.290924 19.45457 
1 1 1  -27   26   19 o   90.142   15.273   26.059   8.0765   40.012   11.651   13.153   11.206  114.806   18.781   65.479   24.089 49.32690 30.54544 
1 1 1  -27   26   20 o   39.745   13.225  -8.1166   7.3303  -5.8814   10.170 -10.5333   10.575   41.031   19.061   38.458   18.338 2.572575 26.44984 
1 1 1  -27   26   21 o   92.601   15.079   28.264   8.0242   14.462   11.444   41.614   11.255   67.519   24.419  117.684   17.698 -50.16468 30.15782 
1 1 1  -27   26   22 o   76.277   16.028   18.930   7.7918   8.7783   10.960   29.302   11.079   58.263   23.198   94.290   22.125 -36.02725 32.05688 
1 1 1  -27   26   23 o   60.169   16.214   9.8254   7.9472   0.9873   11.910   16.918   10.670   49.852   22.133   70.486   23.701 -20.63389 32.42825 
1 1 1  -27   26   24 f   66.031   17.115   14.033   7.9923   18.960   12.224   10.354   10.563   72.902   25.344   59.161   23.007 13.74058 34.22952 
1 1 1  -27   26   25 o   57.604   15.925   5.7449   8.3524  -7.9008   11.961   18.732   11.669   42.396   20.005   72.812   24.784 -30.41665 31.84980 
1 1 1  -27   26   26 o   51.243   16.405  -1.4595   9.9785   4.2680   13.572  -8.1982   14.721   55.284   24.115   47.203   22.248 8.081505 32.81073 
1 1 1  -27   26   27 o   74.997   19.669   19.477   10.736   13.757   14.554   26.306   15.903   66.725   26.677   83.268   28.910 -16.54294 39.33797 
1 1 1  -27   26   28 o   76.970   19.934   21.622   10.830   21.525   15.068   21.725   15.578   76.890   27.987   77.051   28.394 -0.1613541 39.86877 
1 1 1  -27   26   29 o   44.350   15.083 -13.4935   10.656  -9.3559   14.268 -18.7117   16.024   45.367   21.537   43.333   21.122 2.033463 30.16630 
1 1 1  -27   26   30 o   36.336   17.686 -13.2924   11.116   0.0000   0.0000 -13.2924   11.116  ?   ?    36.336   17.686      ?      ? 
1 1 1  -27   26   31 o   71.215   24.479   20.561   11.388   0.0000   0.0000   20.561   11.388  ?   ?    71.215   24.479      ?      ? 
1 1 1  -27   26   32 o   47.973   15.675  -1.0608   9.4305   1.4608   11.819  -5.4797   15.646   48.019   21.628   47.928   22.695 0.9060669E-01 31.35013 
1 1 1  -27   26   33 f   80.218   13.757   15.740   8.6973   49.166   13.177 -10.0667   11.578  121.328   20.098   39.107   18.791 82.22137 27.51433 
1 1 1  -27   26   34 o   43.287   13.865  -5.1949   7.9334 -22.1581   11.827   8.6817   10.697   33.079   16.489   53.496   22.294 -20.41680 27.72913 
1 1 1  -27   26   35 o   54.457   17.903   5.9974   12.430   2.2151   22.080   7.7523   15.040   54.706   26.197   54.207   24.408 0.4990158 35.80577 
1 1 1  -27   27    1 o  101.233   24.980   41.368   16.431   42.387   28.844   40.878   19.992   98.954   38.148  103.512   32.262 -4.558586 49.96100 
1 1 1  -27   27    2 o   81.064   20.254   16.140   9.2493   10.570   10.283   39.752   21.170   61.135   22.962  100.993   33.371 -39.85852 40.50750 
1 1 1  -27   27    3 o   49.278   14.348   1.3341   7.0274   10.121   9.2051 -10.9420   10.880   59.512   21.842   39.044   18.612 20.46890 28.69679 
1 1 1  -27   27    4 o  147.634   14.564   62.980   11.619   0.0000   0.0000   62.980   11.619  ?   ?   147.634   14.564      ?      ? 
1 1 1  -27   27    5 o   66.899   16.402   13.794   7.1682   12.398   9.4175   15.718   11.052   63.717   22.240   70.080   24.114 -6.363552 32.80415 
1 1 1  -27   27    6 o   61.388   14.487   5.6707   7.1248  -8.4707   9.5005   23.845   10.771   37.552   17.753   85.223   22.899 -47.67088 28.97421 
1 1 1  -27   27    7 o   99.357   14.783   31.550   7.6525   33.418   10.323   29.273   11.401  103.944   19.083   94.770   22.585 9.173874 29.56700 
1 1 1  -27   27    8 o  122.323   12.957   46.219   8.0564   34.247   11.515   57.699   11.276  103.643   21.274  141.003   14.799 -37.35959 25.91458 
1 1 1  -27   27    9 o   48.650   14.858   1.2661   7.1813  -2.0024   9.7176   5.1989   10.659   43.666   19.645   53.634   22.295 -9.968082 29.71517 
1 1 1  -27   27   10 o  102.005   14.281   32.803   7.6823   36.871   10.605   28.311   11.144  110.966   17.685   93.044   22.428 17.92278 28.56218 
1 1 1  -27   27   11 f   70.002   15.800   14.745   7.3595   6.0261   10.138   24.459   10.701   53.892   22.003   86.112   22.681 -32.21988 31.60039 
1 1 1  -27   27   12 o   65.294   15.281   9.9761   7.6791   25.148   11.056  -4.1634   10.674   87.008   23.121   43.580   19.986 43.42709 30.56181 
1 1 1  -27   27   13 o  123.879   12.095   45.664   8.0886   47.104   11.754   44.369   11.148  125.584   17.321  122.173   16.886 3.411057 24.18983 
1 1 1  -27   27   14 o  143.155   10.944   59.956   8.4200   68.324   12.165   52.260   11.666  153.287   14.687  133.023   16.230 20.26428 21.88835 
1 1 1  -27   27   15 f  106.282   14.281   35.551   7.9437   46.457   11.508   25.626   10.979  124.742   17.073   87.822   22.899 36.92057 28.56264 
1 1 1  -27   27   16 o  123.696   12.153   45.766   8.0907   47.565   12.069   44.297   10.904  125.447   17.804  121.945   16.547 3.501846 24.30610 
1 1 1  -27   27   17 o   54.648   15.659   4.9661   7.7560  -3.4948   10.944   13.504   10.994   44.247   20.271   65.050   23.871 -20.80228 31.31711 
1 1 1  -27   27   18 o   48.594   15.061   1.4210   7.6053   4.4567   11.015  -1.3442   10.513   52.083   22.210   45.105   20.350 6.977760 30.12276 
1 1 1  -27   27   19 o   88.767   15.781   26.865   7.5333   26.991   10.094   26.706   11.319   90.010   21.117   87.524   23.456 2.485931 31.56120 
1 1 1  -27   27   20 o   67.226   17.085   15.309   8.0647   18.638   11.055   11.521   11.791   72.848   24.117   61.604   24.207 11.24478 34.17043 
1 1 1  -27   27   21 o   39.537   13.566 -13.5363   8.4787 -12.2674   10.364 -16.1036   14.742   36.346   17.544   42.728   20.696 -6.381737 27.13133 
1 1 1  -27   27   22 o   46.743   15.592  -8.5473   10.274  -6.1464   13.878 -11.4595   15.284   47.253   22.056   46.233   22.045 1.019695 31.18427 
1 1 1  -27   27   23 o   92.881   18.144   26.745   10.530   9.6171   13.380   54.617   17.068   61.060   25.143  124.703   26.164 -63.64342 36.28717 
1 1 1  -27   27   24 o  118.068   17.740   46.420   11.307   29.820   14.789   69.775   17.542   89.509   27.723  146.627   22.140 -57.11732 35.47900 
1 1 1  -27   27   25 o   45.253   15.284 -12.7842   10.712  -4.5563   14.534 -22.5676   15.848   49.006   22.773   41.500   20.390 7.505924 30.56726 
1 1 1  -27   27   26 o   47.532   15.885  -6.2494   10.729  -4.7793   14.441  -8.0608   16.029   47.448   22.261   47.615   22.669 -0.1666794 31.77098 
1 1 1  -27   27   27 o   58.506   17.010   11.843   8.6858   9.9229   12.534   13.618   12.048   56.325   23.842   60.687   24.269 -4.361668 34.02094 
1 1 1  -27   27   28 o   75.129   17.528   22.971   8.4148   19.335   12.458   26.022   11.412   68.807   25.386   81.452   24.178 -12.64479 35.05694 
1 1 1  -27   27   29 o   89.376   17.169   29.679   8.4488   33.336   12.888   26.922   11.189   93.517   25.015   85.234   23.523 8.283012 34.33790 
1 1 1  -27   27   30 o   47.137   15.033   0.5313   8.0613   4.8544   12.208  -2.8112   10.735   51.661   22.694   42.614   19.722 9.046959 30.06590 
1 1 1  -27   27   31 o   89.195   21.868   29.444   9.9078   66.847   26.022   23.102   10.715  101.988   36.832   76.401   23.587 25.58720 43.73673 
1 1 1  -27   27   32 o   35.683   12.409 -15.0847   8.3232 -18.0588   12.731 -12.8645   10.999   35.964   17.785   35.402   17.309 0.5619926 24.81720 
1 1 1  -27   28    1 o   47.018   14.445  -1.0388   7.4489   7.8029   10.152 -11.3515   10.964   55.644   22.269   38.392   18.405 17.25135 28.88984 
1 1 1  -27   28    2 o   57.260   15.695   7.5210   7.1266   2.0190   9.3529   15.137   11.004   46.833   20.225   67.687   24.006 -20.85388 31.39023 
1 1 1  -27   28    3 o   53.169   15.746   5.3071   7.6265   6.7154   10.487   3.7260   11.111   54.596   22.345   51.741   22.191 2.854599 31.49172 
1 1 1  -27   28    4 o   44.150   14.130  -2.1710   7.1892  -3.5752   9.6347  -0.4071   10.799   41.477   19.009   46.822   20.913 -5.345104 28.26099 
1 1 1  -27   28    5 o   43.774   13.844  -6.0556   7.1198 -15.6945   9.4022   6.9016   10.901   32.256   15.819   55.293   22.723 -23.03766 27.68755 
1 1 1  -27   28    6 o   56.587   14.892   6.1533   7.3953   17.735   9.9250  -8.3022   11.088   72.490   22.754   40.685   19.217 31.80444 29.78314 
1 1 1  -27   28    7 o  131.755   11.349   51.910   8.0750   51.508   11.216   52.342   11.635  131.428   15.793  132.082   16.302 -0.6533813 22.69720 
1 1 1  -27   28    8 o   60.868   15.909   9.0110   7.9138   20.298   11.153  -2.4350   11.231   76.257   24.144   45.480   20.721 30.77655 31.81720 
1 1 1  -27   28    9 o  117.466   12.494   42.143   7.9051   40.171   10.680   44.531   11.756  114.793   17.217  120.138   18.109 -5.344589 24.98762 
1 1 1  -27   28   10 o   79.231   16.561   21.801   7.6096   19.283   10.520   24.564   11.020   74.468   23.435   83.994   23.407 -9.525963 33.12197 
1 1 1  -27   28   11 o   88.057   16.289   26.289   7.8992   20.577   10.531   33.637   11.945   76.793   23.324   99.321   22.746 -22.52824 32.57845 
1 1 1  -27   28   12 o   75.407   15.286   17.720   7.5686   5.1028   10.237   32.932   11.240   51.535   21.666   99.280   21.569 -47.74555 30.57164 
1 1 1  -27   28   13 o   53.583   15.773   5.9731   7.6349   8.7957   10.772   3.1237   10.823   57.097   22.907   50.070   21.690 7.026993 31.54659 
1 1 1  -27   28   14 o   67.763   16.848   15.202   7.8951   20.445   11.197   10.018   11.134   76.254   24.198   59.273   23.449 16.98051 33.69570 
1 1 1  -27   28   15 o   96.645   15.780   31.451   8.1614   38.793   11.737   24.577   11.357  109.341   20.621   83.950   23.892 25.39124 31.55965 
1 1 1  -27   28   16 o  111.050   16.643   42.489   9.6281   46.023   12.376   37.072   15.324  121.841   18.798  100.259   27.471 21.58194 33.28690 
1 1 1  -27   28   17 o   50.871   16.329  -1.4594   9.7003  -3.7680   13.067   1.3743   14.477   47.730   21.971   54.012   24.163 -6.282040 32.65843 
1 1 1  -27   28   18 o   93.183   15.989   26.623   10.099   3.1982   13.589   55.518   15.092   54.546   23.953  131.820   21.188 -77.27407 31.97889 
1 1 1  -27   28   19 o   59.365   16.985   3.6706   9.9728   20.527   13.811 -14.6959   14.416   75.667   26.887   43.063   20.761 32.60426 33.97013 
1 1 1  -27   28   20 o   53.938   16.761   0.3135   9.9001 -10.0788   13.596   12.043   14.444   43.948   20.910   63.928   26.201 -19.98033 33.52197 
1 1 1  -27   28   21 o   71.026   18.926   18.162   9.7282   14.376   12.478   24.032   15.535   64.739   25.053   77.312   28.375 -12.57288 37.85268 
1 1 1  -27   28   22 o   48.176   15.420  -2.6236   8.9128   10.784   13.530 -12.9023   11.846   58.586   24.784   37.766   18.353 20.81985 30.83929 
1 1 1  -27   28   23 o   83.803   16.669   26.873   8.1201   19.052   10.943   36.458   12.113   69.146   23.983   98.459   23.156 -29.31320 33.33739 
1 1 1  -27   28   24 o   53.444   15.986   7.6509   8.0382   10.104   11.026   4.8685   11.743   56.201   22.946   50.687   22.262 5.513367 31.97107 
1 1 1  -27   28   25 o   50.249   15.294   2.2522   8.0883  -7.4717   11.399   12.112   11.479   40.487   19.229   60.011   23.788 -19.52430 30.58794 
1 1 1  -27   28   26 o   48.929   15.070   2.1141   7.9292  -6.3664   11.473   9.8678   10.971   41.291   19.516   56.568   22.968 -15.27736 30.14037 
1 1 1  -27   28   27 o   61.438   17.043   13.919   8.3145   18.071   12.194   10.311   11.367   66.756   25.018   56.120   23.150 10.63611 34.08570 
1 1 1  -27   28   28 o   60.005   16.594   12.873   8.1912   21.076   11.951   5.6053   11.249   70.266   25.007   49.745   21.820 20.52094 33.18829 
1 1 1  -27   29    1 o  169.517   14.504   84.308   13.286   0.0000   0.0000   84.308   13.286  ?   ?   169.517   14.504      ?      ? 
1 1 1  -27   29    2 o  116.070   13.741   42.312   8.2607   42.240   10.778   42.414   12.860  118.353   16.853  113.787   21.708 4.565178 27.48186 
1 1 1  -27   29    3 o   63.926   16.813   12.241   7.7277   8.7420   10.095   17.195   12.011   56.924   22.389   70.928   25.088 -14.00378 33.62555 
1 1 1  -27   29    4 f   68.766   16.582   14.024   7.6952   6.8147   9.9846   24.570   12.077   54.006   21.918   83.526   24.890 -29.51991 33.16460 
1 1 1  -27   29    5 o   57.866   15.625   5.3277   8.0676   19.299   11.393  -8.7247   11.426   74.654   24.471   41.079   19.435 33.57408 31.24998 
1 1 1  -27   29    6 o   95.124   16.053   30.145   8.0844   27.903   10.725   33.095   12.302   91.553   21.962   98.694   23.420 -7.140587 32.10609 
1 1 1  -27   29    7 f   74.973   15.631   18.727   7.8906   30.139   10.704   5.1464   11.677   95.883   21.221   54.062   22.956 41.82079 31.26187 
1 1 1  -27   29    8 o   92.501   16.057   28.575   7.9248   26.437   10.573   31.316   11.972   88.963   22.094   96.038   23.306 -7.075081 32.11362 
1 1 1  -27   29    9 o   71.441   17.997   14.120   8.6657   6.8171   10.567   29.122   15.144   54.739   22.419   88.143   28.159 -33.40456 35.99374 
1 1 1  -27   29   10 o   76.861   17.921   21.158   8.6732   23.030   10.774   17.712   14.620   81.995   23.248   71.727   27.279 10.26755 35.84150 
1 1 1  -27   29   11 o   57.572   17.026   5.9169   8.7956   0.8059   11.257   13.928   14.093   48.625   21.556   66.519   26.361 -17.89415 34.05296 
1 1 1  -27   29   12 o   52.763   16.243  -1.2748   8.9445 -10.9550   11.473   13.727   14.283   39.505   18.909   66.022   26.416 -26.51691 32.48636 
1 1 1  -27   29   13 o   49.488   15.572  -1.8306   9.1570   8.3716   11.987 -16.1239   14.189   57.464   23.745   41.511   20.153 15.95209 31.14408 
1 1 1  -27   29   14 o   83.912   18.062   26.720   9.5307   35.811   13.217   16.872   13.756   99.418   24.709   68.406   26.352 31.01234 36.12451 
1 1 1  -27   29   15 o   46.501   15.225  -3.9320   9.1741 -10.5946   12.596   3.5946   13.388   40.770   19.593   52.233   23.311 -11.46332 30.45089 
1 1 1  -27   29   16 o   45.586   14.831  -5.9258   9.2907   8.0158   12.408 -23.7162   14.017   54.604   23.435   36.567   18.182 18.03735 29.66156 
1 1 1  -27   29   17 o   54.699   16.449   8.5589   8.7106   3.6509   12.930   12.637   11.786   50.239   22.626   59.160   23.882 -8.921589 32.89764 
1 1 1  -27   29   18 o   41.697   13.727  -6.2049   7.8779 -16.4856   11.066   4.3586   11.217   34.170   16.837   49.223   21.685 -15.05235 27.45403 
1 1 1  -27   29   19 o   49.127   15.076   3.3620   7.4754  -1.1550   9.9578   9.1945   11.315   42.642   19.460   55.612   23.032 -12.97003 30.15259 
1 1 1  -27   29   20 o   66.930   16.994   16.432   7.9327   20.510   11.428   12.639   11.020   73.191   24.529   60.670   23.526 12.52112 33.98721 
1 1 1  -27   29   21 o   52.281   15.929   5.7533   8.1874   3.6878   11.409   7.9463   11.756   49.772   21.900   54.791   23.136 -5.019047 31.85708 
1 1 1  -27   29   22 o  111.017   14.935   43.253   8.6857   53.618   12.446   33.411   12.127  128.238   17.960   93.797   23.868 34.44094 29.87082 
1 1 1  -27   29   23 o   46.078   14.361   0.3607   7.7716   10.033   10.234 -12.8114   11.944   54.792   22.206   37.363   18.217 17.42963 28.72277 
1 1 1  -27   29   24 o   63.191   17.078   16.177   8.1588   13.410   11.221   19.281   11.884   59.059   23.485   67.323   24.802 -8.264591 34.15671 
1 1 1  -27   30    1 f   55.585   16.304   9.3806   8.6352   15.108   10.857  -0.4829   14.247   62.763   23.590   48.407   22.512 14.35622 32.60828 
1 1 1  -27   30    2 o   73.826   15.423   8.6578   8.8799 -13.1013   10.996   49.459   15.057   35.676   17.413  111.976   25.460 -76.30078 30.84542 
1 1 1  -27   30    3 o   88.601   16.884   27.337   9.1751   11.590   11.544   54.347   15.119   57.693   23.509  119.509   24.241 -61.81587 33.76783 
1 1 1  -27   30    4 o   58.608   17.034   12.104   8.9622   15.782   11.342   5.9910   14.623   63.583   24.064   53.632   24.116 9.950539 34.06876 
1 1 1  -27   30    5 o   60.286   17.429   13.065   8.8174   10.957   11.264   16.401   14.170   56.811   23.194   63.761   26.021 -6.950775 34.85719 
1 1 1  -27   30    6 o   55.683   16.784   9.4667   8.9638   11.775   11.422   5.7658   14.463   57.974   23.472   53.393   23.999 4.580887 33.56887 
1 1 1  -27   30    7 o   47.331   15.309   0.7912   8.7691   3.0135   11.298  -2.5766   13.908   47.975   21.412   46.688   21.885 1.287086 30.61734 
1 1 1  -27   30    8 o   67.942   18.220   18.965   9.1651   19.230   11.816   18.565   14.521   69.120   24.837   66.764   26.664 2.356323 36.43920 
1 1 1  -27   30    9 o   50.192   16.090   0.5286   9.1813  -5.4707   11.649   10.365   14.917   41.855   19.747   58.530   25.409 -16.67468 32.18003 
1 1 1  -27   30   10 o   63.774   15.897   11.084   8.4463   28.063   12.038  -5.3800   11.854   85.082   24.716   42.466   20.000 42.61577 31.79465 
1 1 1  -27   30   11 o   51.503   15.666   4.1318   7.9794  -1.5535   10.571   11.662   12.166   43.511   19.930   59.495   24.176 -15.98389 31.33157 
1 1 1  -27   30   12 o   62.582   17.015   13.618   8.0884   10.974   10.862   16.910   12.118   58.214   23.120   66.951   24.970 -8.736992 34.03027 
1 1 1  -27   30   13 o   50.490   15.325   4.7752   7.4008   2.5716   9.6413   7.9363   11.547   46.257   20.248   54.723   23.009 -8.466461 30.64915 
1 1 1  -27   30   14 o   70.466   14.052   13.798   7.8375   35.478   11.060  -8.0677   11.108  101.442   20.873   39.489   18.819 61.95261 28.10450 
1 1 1  -27   30   15 o   75.652   17.090   22.490   8.1673   27.307   11.184   16.986   11.955   85.052   23.537   66.252   24.784 18.79978 34.17935 
1 1 1  -27   30   16 o   57.978   16.649   11.688   8.1783   12.842   10.978   10.248   12.259   59.477   23.363   56.479   23.725 2.998398 33.29705 
1 1 1  -27   30   17 o   49.167   14.984   2.5715   7.5476  -5.6526   9.9215   13.868   11.628   38.100   18.050   60.234   23.922 -22.13442 29.96755 
1 1 1  -27   30   18 o   42.828   14.050  -3.8667   7.9463 -11.8654   10.818   5.5051   11.710   35.655   17.374   50.002   22.085 -14.34707 28.10015 
1 1 1  -27   31    1 o   46.762   14.634   1.0139   7.5188  -6.5633   9.9367   11.163   11.500   37.294   17.781   56.229   23.248 -18.93492 29.26803 
1 1 1  -27   31    2 o   39.427   13.219  -5.4444   7.4642  -6.8767   9.9296  -3.5835   11.318   37.080   17.705   41.775   19.634 -4.695244 26.43747 
1 1 1  -27   31    3 o   56.242   16.149   10.432   7.7443   5.7844   10.323   16.415   11.712   49.117   21.230   63.368   24.340 -14.25111 32.29765 
1 1 1  -27   31    4 o   52.438   15.216   3.5919   7.6631  -7.8994   10.020   19.785   11.894   36.565   17.546   68.311   24.866 -31.74614 30.43295 
1 1 1  -27   31    5 o   58.511   16.086   12.622   7.8373   18.037   10.267   5.0601   12.133   67.048   23.232   49.975   22.255 17.07266 32.17129 
1 1 1  -27   31    6 o   56.339   15.227   5.3549   7.8011  -9.5437   10.370   24.778   11.841   36.155   17.475   76.523   24.941 -40.36824 30.45337 
1 1 1  -27   31    7 o   70.741   15.559   16.304   8.0138   1.1431   10.569   36.812   12.292   44.499   20.207   96.983   23.664 -52.48363 31.11814 
1 1 1  -27   31    8 o   65.549   14.594   8.6757   8.2773 -14.9259   11.274   36.279   12.192   34.870   17.146   96.229   23.621 -61.35831 29.18830 
1 1 1  -27   31    9 f   59.412   15.578   12.041   7.7485   22.362   10.533  -0.1307   11.438   74.338   23.457   44.486   20.507 29.85186 31.15688 
1 1 1  -26    0    2 o   25.312   12.305  -5.6104   7.7727  -5.6104   7.7727  -5.6104   7.7727   25.312   17.402   25.312   17.402 0.000000 0.000000 
1 1 1  -26    0    3 o   49.140   14.801   9.2818   5.6551   9.2818   5.6551   9.2818   5.6551   49.140   20.932   49.140   20.932 0.000000 0.000000 
1 1 1  -26    0    4 o   26.432   12.773  -5.1419   8.1006  -5.1419   8.1006  -5.1419   8.1006   26.432   18.064   26.432   18.064 0.000000 0.000000 
1 1 1  -26    0    5 o  914.469   15.784  2270.27  110.152  2270.27  110.152  2270.27  110.152  914.469   22.321  914.469   22.321 0.000000 0.000000 
1 1 1  -26    0    6 o  561.815   10.347  855.631   44.353  855.631   44.353  855.631   44.353  561.815   14.632  561.815   14.632 0.000000 0.000000 
1 1 1  -26    0    7 o  643.115   11.515  1121.40   56.511  1121.40   56.511  1121.40   56.511  643.115   16.285  643.115   16.285 0.000000 0.000000 
1 1 1  -26    0    8 f  402.042   5.8554  437.453   17.973  437.453   17.973  437.453   17.973  402.042   8.2808  402.042   8.2808 0.000000 0.000000 
1 1 1  -26    0    9 o  309.086   5.3510  258.669   12.622  258.669   12.622  258.669   12.622  309.086   7.5675  309.086   7.5675 0.000000 0.000000 
1 1 1  -26    0   10 o  133.812   7.3087   49.268   7.3712   49.268   7.3712   49.268   7.3712  133.812   10.336  133.812   10.336 0.000000 0.000000 
1 1 1  -26    0   11 o  1076.81   12.990  3141.89  106.823  3141.89  106.823  3141.89  106.823  1076.81   18.371  1076.81   18.371 0.000000 0.000000 
1 1 1  -26    0   12 o  1279.27   15.339  4438.04  149.862  4438.04  149.862  4438.04  149.862  1279.27   21.693  1279.27   21.693 0.000000 0.000000 
1 1 1  -26    0   13 o   55.415   16.126   11.648   6.7581   11.648   6.7581   11.648   6.7581   55.415   22.805   55.415   22.805 0.000000 0.000000 
1 1 1  -26    0   14 o  609.318   7.8297  1004.90   36.431  1004.90   36.431  1004.90   36.431  609.318   11.073  609.318   11.073 0.000000 0.000000 
1 1 1  -26    0   15 o  519.063   6.9356  729.197   27.489  729.197   27.489  729.197   27.489  519.063   9.8084  519.063   9.8084 0.000000 0.000000 
1 1 1  -26    0   16 o   34.527   14.811   2.9620   7.2510   2.9620   7.2510   2.9620   7.2510   34.527   20.945   34.527   20.945 0.000000 0.000000 
1 1 1  -26    0   17 f  290.323   5.6048  228.337   12.414  228.337   12.414  228.337   12.414  290.323   7.9264  290.323   7.9264 0.000000 0.000000 
1 1 1  -26    0   19 o  106.272   10.041   32.151   7.7465   32.151   7.7465   32.151   7.7465  106.272   14.200  106.272   14.200 0.000000 0.000000 
1 1 1  -26    0   20 o  193.540   6.4555  101.947   9.4995  101.947   9.4995  101.947   9.4995  193.540   9.1295  193.540   9.1295 0.000000 0.000000 
1 1 1  -26    0   21 f  495.210   6.8199  663.877   25.787  663.877   25.787  663.877   25.787  495.210   9.6447  495.210   9.6447 0.000000 0.000000 
1 1 1  -26    0   22 o  267.134   5.7085  193.446   11.629  193.446   11.629  193.446   11.629  267.134   8.0731  267.134   8.0731 0.000000 0.000000 
1 1 1  -26    0   23 o  102.880   11.898   30.858   8.6029   30.858   8.6029   30.858   8.6029  102.880   16.827  102.880   16.827 0.000000 0.000000 
1 1 1  -26    0   24 o  272.413   5.9780  201.221   12.418  201.221   12.418  201.221   12.418  272.413   8.4541  272.413   8.4541 0.000000 0.000000 
1 1 1  -26    0   25 o  598.373   7.8312  969.769   35.782  969.769   35.782  969.769   35.782  598.373   11.075  598.373   11.075 0.000000 0.000000 
1 1 1  -26    0   26 o  113.029   10.105   36.223   8.3489   36.223   8.3489   36.223   8.3489  113.029   14.291  113.029   14.291 0.000000 0.000000 
1 1 1  -26    0   27 o  110.669   9.7320   34.674   7.8874   34.674   7.8874   34.674   7.8874  110.669   13.763  110.669   13.763 0.000000 0.000000 
1 1 1  -26    0   28 o  482.378   6.7280  630.224   24.780  630.224   24.780  630.224   24.780  482.378   9.5148  482.378   9.5148 0.000000 0.000000 
1 1 1  -26    0   29 o  329.918   5.8695  294.951   14.777  294.951   14.777  294.951   14.777  329.918   8.3007  329.918   8.3007 0.000000 0.000000 
1 1 1  -26    0   30 o  183.748   10.085   93.176   13.965   93.176   13.965   93.176   13.965  183.748   14.263  183.748   14.263 0.000000 0.000000 
1 1 1  -26    0   33 o  251.706   6.0765  172.069   11.658  172.069   11.658  172.069   11.658  251.706   8.5935  251.706   8.5935 0.000000 0.000000 
1 1 1  -26    0   34 o  136.107   7.7546   51.172   7.9452   51.172   7.9452   51.172   7.9452  136.107   10.967  136.107   10.967 0.000000 0.000000 
1 1 1  -26    0   35 o  271.111   5.7379  199.515   11.864  199.515   11.864  199.515   11.864  271.111   8.1147  271.111   8.1147 0.000000 0.000000 
1 1 1  -26    0   36 o  246.350   5.6986  164.835   10.702  164.835   10.702  164.835   10.702  246.350   8.0591  246.350   8.0591 0.000000 0.000000 
1 1 1  -26    0   37 o  158.017   7.0198   68.475   8.4001   68.475   8.4001   68.475   8.4001  158.017   9.9275  158.017   9.9275 0.000000 0.000000 
1 1 1  -26    0   38 o  203.314   6.2034  112.628   9.5975  112.628   9.5975  112.628   9.5975  203.314   8.7730  203.314   8.7730 0.000000 0.000000 
1 1 1  -26    0   39 o  306.766   5.6573  255.478   13.242  255.478   13.242  255.478   13.242  306.766   8.0007  306.766   8.0007 0.000000 0.000000 
1 1 1  -26    0   40 o  198.045   6.2248  106.982   9.3786  106.982   9.3786  106.982   9.3786  198.045   8.8032  198.045   8.8032 0.000000 0.000000 
1 1 1  -26    0   41 o  204.883   6.1339  114.449   9.5647  114.449   9.5647  114.449   9.5647  204.883   8.6746  204.883   8.6746 0.000000 0.000000 
1 1 1  -26    0   42 o  245.111   5.6454  163.409   10.549  163.409   10.549  163.409   10.549  245.111   7.9839  245.111   7.9839 0.000000 0.000000 
1 1 1  -26    0   43 o   33.099   14.630   1.9806   7.5936   1.9806   7.5936   1.9806   7.5936   33.099   20.690   33.099   20.690 0.000000 0.000000 
1 1 1  -26    0   44 o  104.797   9.7904   31.548   7.4595   31.548   7.4595   31.548   7.4595  104.797   13.846  104.797   13.846 0.000000 0.000000 
1 1 1  -26    0   45 o  179.845   6.6006   88.652   9.0159   88.652   9.0159   88.652   9.0159  179.845   9.3347  179.845   9.3347 0.000000 0.000000 
1 1 1  -26    0   46 o   40.113   15.772   6.2965   7.1532   6.2965   7.1532   6.2965   7.1532   40.113   22.305   40.113   22.305 0.000000 0.000000 
1 1 1  -26    0   47 o   54.089   17.415   12.004   7.8065   12.004   7.8065   12.004   7.8065   54.089   24.629   54.089   24.629 0.000000 0.000000 
1 1 1  -26    0   48 o   24.761   11.925  -3.6441   6.9274  -3.6441   6.9274  -3.6441   6.9274   24.761   16.864   24.761   16.864 0.000000 0.000000 
1 1 1  -26    0   49 o   63.269   17.192   15.357   7.8651   15.357   7.8651   15.357   7.8651   63.269   24.313   63.269   24.313 0.000000 0.000000 
1 1 1  -26    0   50 o   74.689   15.686   19.211   7.7903   19.211   7.7903   19.211   7.7903   74.689   22.184   74.689   22.184 0.000000 0.000000 
1 1 1  -26    0   51 o   35.148   15.292   3.2976   7.9797   3.2976   7.9797   3.2976   7.9797   35.148   21.626   35.148   21.626 0.000000 0.000000 
1 1 1  -26    0   52 f  200.292   6.5312  110.360   9.9484  110.360   9.9484  110.360   9.9484  200.292   9.2365  200.292   9.2365 0.000000 0.000000 
1 1 1  -26    0   53 o   21.964   10.990  -8.8740   7.5828  -8.8740   7.5828  -8.8740   7.5828   21.964   15.542   21.964   15.542 0.000000 0.000000 
1 1 1  -26    0   54 o  341.737   6.0960  319.707   15.897  319.707   15.897  319.707   15.897  341.737   8.6211  341.737   8.6211 0.000000 0.000000 
1 1 1  -26    0   55 o   64.647   17.552   16.453   8.2007   16.453   8.2007   16.453   8.2007   64.647   24.822   64.647   24.822 0.000000 0.000000 
1 1 1  -26    0   56 o   72.545   17.498   19.748   8.7037   19.748   8.7037   19.748   8.7037   72.545   24.745   72.545   24.745 0.000000 0.000000 
1 1 1  -26    0   57 o   19.293   9.9286 -17.3215   8.4098 -17.3215   8.4098 -17.3215   8.4098   19.293   14.041   19.293   14.041 0.000000 0.000000 
1 1 1  -26    0   60 o   21.391   10.916 -14.4272   9.0985 -14.4272   9.0985 -14.4272   9.0985   21.391   15.437   21.391   15.437 0.000000 0.000000 
1 1 1  -26    0   61 o   57.222   19.294   15.588   9.6563   15.588   9.6563   15.588   9.6563   57.222   27.286   57.222   27.286 0.000000 0.000000 
1 1 1  -26    1    1 o  857.463   20.960  1997.07   97.119   0.0000   0.0000  1997.07   97.119  ?   ?   857.463   20.960      ?      ? 
1 1 1  -26    1    2 o  289.763   7.2066  227.132   11.281  227.477   16.139  226.802   15.775  289.975   10.300  289.552   10.082 0.4231873 14.41316 
1 1 1  -26    1    3 o  555.238   7.2064  833.983   21.621  837.101   30.654  830.896   30.501  556.270   10.198  554.206   10.185 2.064575 14.41279 
1 1 1  -26    1    4 o  843.887   12.689  1922.34   54.198  1905.34   65.831  1958.11   95.483  838.691   14.526  849.083   20.811 -10.39185 25.37893 
1 1 1  -26    1    5 o  421.928   8.3892  481.399   19.127   0.0000   0.0000  481.399   19.127  ?   ?   421.928   8.3892      ?      ? 
1 1 1  -26    1    6 o  505.044   9.4568  689.897   25.809   0.0000   0.0000  689.897   25.809  ?   ?   505.044   9.4568      ?      ? 
1 1 1  -26    1    7 o  650.135   10.031  1149.23   33.448  1159.18   41.350  1130.41   56.890  654.472   11.692  645.798   16.302 8.673950 20.06174 
1 1 1  -26    1    8 o  243.352   10.218  160.203   13.437   0.0000   0.0000  160.203   13.437  ?   ?   243.352   10.218      ?      ? 
1 1 1  -26    1    9 o  627.195   7.9608  1064.42   26.980  1066.10   38.243  1062.76   38.069  627.686   11.275  626.703   11.242 0.9827881 15.92161 
1 1 1  -26    1   10 o  116.503   7.8207   36.744   4.9195   38.429   6.9578   35.059   6.9568  119.179   10.804  113.826   11.310 5.353554 15.64131 
1 1 1  -26    1   11 o  555.382   7.2490  834.387   21.754  837.664   30.965  831.193   30.568  556.455   10.298  554.308   10.205 2.146973 14.49803 
1 1 1  -26    1   12 o  837.594   10.284  1900.20   46.543  1914.29   66.354  1886.56   65.301  840.640   14.607  834.548   14.480 6.092224 20.56827 
1 1 1  -26    1   13 o  962.987   11.705  2514.16   60.909  2504.79   85.852  2523.65   86.427  961.186   16.529  964.787   16.578 -3.601135 23.41035 
1 1 1  -26    1   14 o  1116.66   13.476  3384.21   81.296  3426.51  116.483  3344.03  113.515  1123.43   19.188  1109.90   18.927 13.53088 26.95206 
1 1 1  -26    1   15 o   95.824   10.195   24.881   5.2599   27.744   7.5418   22.170   7.3395  101.202   13.791   90.445   15.017 10.75762 20.38911 
1 1 1  -26    1   16 o  364.247   5.7623  358.550   11.338  369.010   16.291  348.724   15.789  369.395   8.1615  359.099   8.1368 10.29648 11.52462 
1 1 1  -26    1   17 o  550.702   7.2605  820.252   21.600  806.588   30.141  834.680   30.971  545.993   10.216  555.412   10.319 -9.418457 14.52097 
1 1 1  -26    1   18 o  473.110   9.2842  605.482   23.735   0.0000   0.0000  605.482   23.735  ?   ?   473.110   9.2842      ?      ? 
1 1 1  -26    1   19 o   56.610   13.122   6.0801   5.4556  -2.8279   7.7036   15.043   7.7272   40.106   17.804   73.113   19.282 -33.00678 26.24445 
1 1 1  -26    1   20 o  732.133   9.1656  1452.23   36.261  1453.55   51.354  1450.92   51.207  732.463   12.975  731.803   12.949 0.6597900 18.33111 
1 1 1  -26    1   21 o  628.498   8.0929  1069.73   27.485  1072.71   38.952  1066.78   38.787  629.369   11.453  627.627   11.437 1.741760 16.18573 
1 1 1  -26    1   22 o  329.944   5.8695  294.013   10.455  278.420   14.475  311.025   15.119  320.809   8.3497  339.079   8.2513 -18.26962 11.73892 
1 1 1  -26    1   23 o  593.165   7.7723  952.676   24.912  944.183   35.064  961.331   35.399  590.497   10.989  595.834   10.994 -5.337341 15.54465 
1 1 1  -26    1   24 o  267.905   8.0956  194.176   11.720  194.176   11.720   0.0000   0.0000  267.905   8.0956  ?   ?       ?      ? 
1 1 1  -26    1   25 o   71.408   12.158   12.955   6.0234   27.300   8.2438  -3.4746   8.8225  100.247   15.218   42.569   18.966 57.67795 24.31660 
1 1 1  -26    1   26 o  255.606   5.9659  176.793   8.2354  175.276   11.432  178.429   11.874  254.474   8.3136  256.739   8.5587 -2.264877 11.93178 
1 1 1  -26    1   27 o  569.314   7.5071  878.083   23.090  892.566   33.064  864.297   32.259  573.887   10.662  564.741   10.571 9.146179 15.01419 
1 1 1  -26    1   28 o  202.720   6.4441  111.312   7.0577  109.009   9.9930  113.605   9.9693  200.621   9.2179  204.818   9.0076 -4.196777 12.88820 
1 1 1  -26    1   29 o  387.308   6.0065  406.197   12.571  405.382   17.750  407.018   17.806  386.918   8.4897  387.697   8.4993 -0.7790833 12.01306 
1 1 1  -26    1   30 o  604.718   9.7012  994.884   29.936  995.602   36.745  993.468   51.625  605.697   11.227  603.738   15.824 1.959167 19.40237 
1 1 1  -26    1   33 o  160.230   8.7544   70.114   7.1786   70.655   8.8536   69.077   12.264  161.322   10.156  159.138   14.262 2.183472 17.50879 
1 1 1  -26    1   34 f  411.033   6.1803  458.279   13.726  460.073   19.546  456.534   19.279  411.818   8.7836  410.247   8.6966 1.570526 12.36055 
1 1 1  -26    1   35 o  169.184   6.7956   77.581   6.2000   84.912   8.9928   70.939   8.5594  176.802   9.4128  161.565   9.8041 15.23695 13.59120 
1 1 1  -26    1   36 o  246.883   5.7801  165.251   7.7071  169.480   11.120  161.339   10.692  249.913   8.2340  243.852   8.1142 6.060898 11.56019 
1 1 1  -26    1   37 o  276.188   5.6772  206.969   8.4724  208.151   12.052  205.814   11.913  276.964   8.0528  275.412   8.0046 1.552094 11.35433 
1 1 1  -26    1   38 o  261.297   5.6870  185.309   8.0284  189.488   11.479  181.308   11.233  264.180   8.0408  258.414   8.0445 5.765839 11.37405 
1 1 1  -26    1   39 o   94.489   10.845   24.913   5.3943   21.977   7.4661   28.120   7.8024   87.853   16.328  101.125   14.278 -13.27171 21.69062 
1 1 1  -26    1   40 f   84.507   11.927   19.942   5.3336   25.879   7.9494   15.080   7.1929   96.816   15.195   72.198   18.387 24.61874 23.85323 
1 1 1  -26    1   41 o  177.951   6.3675   86.261   6.1222   86.030   8.7176   86.485   8.5998  177.705   9.0784  178.197   8.9310 -0.4926605 12.73498 
1 1 1  -26    1   42 o  130.104   8.4745   46.593   5.9273   47.909   8.0571   45.040   8.7508  132.231   11.276  127.978   12.654 4.252510 16.94909 
1 1 1  -26    1   43 o  116.559   8.8952   37.400   5.5796   42.203   8.0616   32.983   7.7304  123.829   12.048  109.289   13.090 14.54068 17.79041 
1 1 1  -26    1   44 o  188.846   6.3315   97.373   6.4555   98.701   9.3515   96.164   8.9224  190.040   9.1065  187.653   8.7992 2.387421 12.66305 
1 1 1  -26    1   45 o  283.474   5.6951  219.066   8.7207  225.184   12.530  213.319   12.145  287.304   8.0711  279.643   8.0369 7.660400 11.39014 
1 1 1  -26    1   46 o   63.380   13.484   11.281   5.2246   16.415   7.5545   6.5754   7.2334   74.361   18.792   52.398   19.342 21.96329 26.96748 
1 1 1  -26    1   47 o  171.424   6.5838   80.730   6.0934   84.172   8.5928   77.248   8.6422  175.169   9.0780  167.679   9.5381 7.490112 13.16756 
1 1 1  -26    1   48 o   61.590   12.856   10.006   5.1303   18.368   7.5072   2.6787   7.0271   78.499   18.072   44.681   18.289 33.81766 25.71201 
1 1 1  -26    1   49 o  187.735   6.4484   96.542   6.5267   89.558   8.8917  104.700   9.6104  180.406   9.1211  195.063   9.1176 -14.65724 12.89671 
1 1 1  -26    1   50 o   85.027   13.125   21.726   5.8687   18.929   8.1340   24.763   8.4757   78.927   19.245   91.127   17.851 -12.19982 26.24946 
1 1 1  -26    1   51 o   95.253   11.740   27.090   5.7650   34.228   8.1243   19.850   8.1818  109.931   13.677   80.576   19.085 29.35592 23.47961 
1 1 1  -26    1   52 o  199.538   6.5719  110.374   7.0724  115.020   9.8535  105.438   10.157  204.054   8.9363  195.021   9.6385 9.032898 13.14371 
1 1 1  -26    1   53 o   76.772   12.381   18.062   5.8071   4.8189   8.2735   30.922   8.1529   49.796   20.041  103.748   14.543 -53.95256 24.76166 
1 1 1  -26    1   54 o  123.577   9.2460   43.291   6.1233   36.315   8.4203   51.121   8.9205  112.675   13.830  134.479   12.276 -21.80409 18.49195 
1 1 1  -26    1   55 o  196.635   6.6897  107.741   7.1075  107.769   10.119  107.713   9.9849  196.620   9.5244  196.650   9.3964 -0.2969360E-01 13.37932 
1 1 1  -26    1   56 o  116.623   10.115   39.827   6.3276   36.109   9.1721   43.203   8.7406  110.780   15.322  122.466   13.208 -11.68630 20.22921 
1 1 1  -26    1   57 o   37.014   12.061  -7.2934   5.9953   1.9748   8.4650 -16.6215   8.4923   44.706   19.274   29.322   14.505 15.38392 24.12223 
1 1 1  -26    1   60 o  208.068   7.0995  124.834   7.9774  121.286   11.347  128.302   11.218  204.868   10.250  211.268   9.8262 -6.399506 14.19907 
1 1 1  -26    1   61 o   38.835   12.648  -3.0450   6.2020  -6.2164   8.8194   0.0578   8.7234   36.039   17.057   41.630   18.680 -5.591862 25.29649 
1 1 1  -26    2    1 o  354.517   7.7460  338.967   14.797  354.054   21.927  326.351   20.052  361.725   11.218  347.309   10.684 14.41534 15.49194 
1 1 1  -26    2    2 o  716.417   12.652  1391.66   48.966  1408.56   70.228  1375.68   68.309  720.626   18.035  712.209   17.749 8.417480 25.30406 
1 1 1  -26    2    3 o  466.621   9.0395  588.863   22.793  588.863   22.793   0.0000   0.0000  466.621   9.0395  ?   ?       ?      ? 
1 1 1  -26    2    4 o  1146.91   13.813  3570.18   85.602  3584.41  121.740  3556.27  120.391  1149.15   19.605  1144.67   19.464 4.482666 27.62600 
1 1 1  -26    2    5 o  409.047   7.2126  446.411   14.779  469.144   26.751  436.424   17.730  416.347   11.891  401.746   8.1672 14.60123 14.42527 
1 1 1  -26    2    6 o  332.547   6.7843  309.528   11.729  220.878   17.051  389.161   16.160  285.714   11.044  379.380   7.8830 -93.66626 13.56869 
1 1 1  -26    2    7 o  422.713   7.3912  485.805   15.866  476.351   27.515  490.513   19.420  419.521   12.137  425.905   8.4381 -6.383423 14.78240 
1 1 1  -26    2    8 o  707.275   10.796  1364.13   39.297  1384.99   48.855  1325.90   66.142  715.291   12.640  699.259   17.505 16.03241 21.59103 
1 1 1  -26    2    9 o  381.969   5.7632  394.319   11.893  404.819   17.033  384.332   16.612  386.928   8.1466  377.010   8.1542 9.918121 11.52645 
1 1 1  -26    2   10 o  1176.28   14.158  3755.42   89.971  3795.83  128.745  3716.84  125.783  1182.43   20.150  1170.13   19.893 12.29590 28.31504 
1 1 1  -26    2   11 o  644.581   8.1809  1124.24   28.491  1132.92   40.669  1115.88   39.927  647.018   11.632  642.144   11.507 4.873779 16.36174 
1 1 1  -26    2   12 o  686.502   8.6406  1275.59   32.052  1265.85   45.038  1285.59   45.624  683.850   12.188  689.155   12.251 -5.304688 17.28120 
1 1 1  -26    2   13 o  679.738   8.5768  1250.74   31.503  1251.41   44.664  1250.07   44.440  679.916   12.157  679.560   12.102 0.3562012 17.15351 
1 1 1  -26    2   14 o  652.000   8.2766  1150.65   29.160  1146.31   41.141  1155.03   41.336  650.765   11.699  653.235   11.710 -2.469421 16.55311 
1 1 1  -26    2   15 o  184.973   6.3200   92.500   6.3129   97.310   9.0285   87.899   8.8305  189.679   8.8086  180.268   9.0652 9.410782 12.64001 
1 1 1  -26    2   16 o  659.481   8.3781  1177.02   29.851  1161.33   41.738  1193.46   42.710  654.988   11.793  663.974   11.904 -8.986328 16.75611 
1 1 1  -26    2   17 o  473.993   6.6044  607.724   16.915  609.911   24.033  605.577   23.812  474.836   9.3663  473.149   9.3136 1.687042 13.20873 
1 1 1  -26    2   18 o  213.434   6.1154  123.062   7.0435  132.447   10.138  114.304   9.7932  221.296   8.4778  205.572   8.8160 15.72333 12.23085 
1 1 1  -26    2   19 o  993.777   12.083  2679.88   64.881  2699.31   92.461  2661.02   91.068  997.309   17.157  990.245   17.019 7.064392 24.16622 
1 1 1  -26    2   20 o  455.315   6.4989  560.828   15.988  567.562   22.807  554.320   22.419  458.000   9.2153  452.629   9.1662 5.370941 12.99775 
1 1 1  -26    2   21 o  341.302   5.8348  315.116   10.760  309.854   15.185  320.421   15.249  338.439   8.3033  344.166   8.1997 -5.727661 11.66960 
1 1 1  -26    2   22 o  263.690   5.9111  187.971   8.4195  181.294   11.743  195.035   12.078  258.873   8.3949  268.507   8.3241 -9.634064 11.82227 
1 1 1  -26    2   23 o  852.424   10.512  1971.10   48.414  1986.92   69.079  1955.83   67.872  855.768   14.938  849.081   14.793 6.686890 21.02332 
1 1 1  -26    2   24 o  350.592   5.8555  332.471   11.090  328.234   15.477  336.942   15.900  348.301   8.2231  352.883   8.3384 -4.582489 11.71097 
1 1 1  -26    2   25 o  446.486   6.4431  539.672   15.545  545.568   22.060  533.858   21.908  448.909   9.0940  444.062   9.1299 4.847382 12.88628 
1 1 1  -26    2   26 o  122.074   9.0396   40.548   5.9396   44.555   8.3854   36.513   8.4144  128.170   12.107  115.978   13.427 12.19279 18.07918 
1 1 1  -26    2   27 o  127.894   8.5411   44.265   5.8929   40.858   8.1363   48.025   8.5464  122.722   12.269  133.067   11.886 -10.34543 17.08225 
1 1 1  -26    2   28 o  296.688   5.7362  237.758   9.1862  224.997   12.662  251.936   13.347  288.301   8.1279  305.074   8.0965 -16.77365 11.47243 
1 1 1  -26    2   29 o  381.592   6.0081  394.199   12.387  400.913   17.715  387.776   17.326  384.768   8.5205  378.416   8.4729 6.351593 12.01619 
1 1 1  -26    2   30 o   59.562   16.543   5.4949   7.9331   9.0000   10.656   1.1367   11.882   63.826   23.490   55.298   23.300 8.527988 33.08545 
1 1 1  -26    2   33 o  301.052   6.9150  243.055   10.566  237.630   12.827  254.505   18.634  296.113   8.0165  305.991   11.270 -9.877625 13.83008 
1 1 1  -26    2   34 o  366.287   5.8814  363.780   11.640  356.669   16.351  371.086   16.573  362.654   8.3439  369.920   8.2910 -7.265350 11.76271 
1 1 1  -26    2   35 o  389.844   6.0211  412.381   12.682  407.358   17.769  417.598   18.107  387.430   8.4876  392.258   8.5424 -4.828003 12.04210 
1 1 1  -26    2   36 o  288.883   5.6050  226.383   8.7494  224.858   12.361  227.914   12.387  287.905   7.9451  289.861   7.9081 -1.955627 11.20995 
1 1 1  -26    2   37 o  334.081   5.7805  302.920   10.435  299.973   14.750  305.873   14.765  332.447   8.2107  335.714   8.1389 -3.266998 11.56102 
1 1 1  -26    2   38 o   70.897   13.621   14.441   5.3606   13.489   7.6418   15.362   7.5218   68.748   19.610   73.046   18.909 -4.297249 27.24124 
1 1 1  -26    2   39 o  145.625   7.3857   57.863   5.8089   60.133   8.2314   55.612   8.1986  148.495   10.258  142.755   10.628 5.739807 14.77135 
1 1 1  -26    2   40 o  196.757   6.1659  105.396   6.5527  107.081   9.1799  103.645   9.3566  198.386   8.5632  195.127   8.8739 3.259079 12.33185 
1 1 1  -26    2   41 o  134.462   8.1450   49.616   5.8939   44.359   8.3107   54.936   8.3600  127.189   12.092  141.736   10.915 -14.54603 16.28993 
1 1 1  -26    2   42 f  422.762   6.2794  487.130   14.344  492.467   20.451  481.963   20.123  425.030   8.9046  420.493   8.8561 4.537018 12.55873 
1 1 1  -26    2   43 o  381.606   5.9666  397.099   12.303  395.146   17.365  399.069   17.435  380.661   8.4420  382.550   8.4341 -1.888489 11.93321 
1 1 1  -26    2   44 o  123.443   8.5671   41.773   5.6716   49.496   8.3429   35.137   7.7335  134.112   11.512  112.775   12.690 21.33698 17.13426 
1 1 1  -26    2   45 o  168.990   6.8121   78.405   6.2067   74.358   8.9140   82.213   8.6473  164.654   10.019  173.327   9.2326 -8.673172 13.62413 
1 1 1  -26    2   46 o  129.173   8.0639   45.961   5.6205   48.644   8.2193   43.606   7.7030  132.688   11.464  125.658   11.344 7.030556 16.12789 
1 1 1  -26    2   47 o  122.968   8.6231   42.831   5.5356   55.275   7.8364   30.436   7.8208  141.656   10.237  104.281   13.879 37.37476 17.24625 
1 1 1  -26    2   48 o   81.725   12.382   19.812   5.3016   19.605   7.6238   20.005   7.3776   81.177   17.865   82.273   17.150 -1.096283 24.76455 
1 1 1  -26    2   49 o   48.755   12.812   1.9562   5.5135  -8.8283   7.9228   12.084   7.6776   33.679   16.006   63.831   20.009 -30.15154 25.62330 
1 1 1  -26    2   50 o  144.963   7.5567   58.349   5.9111   57.219   8.5357   59.391   8.1940  143.498   11.008  146.429   10.356 -2.931213 15.11345 
1 1 1  -26    2   51 o  109.384   9.6215   33.918   5.6770   36.157   8.0325   31.683   8.0246  113.166   13.135  105.601   14.063 7.564560 19.24305 
1 1 1  -26    2   52 o  139.087   8.5035   54.581   6.3589   60.435   8.9721   48.673   9.0137  146.925   11.301  131.249   12.709 15.67595 17.00691 
1 1 1  -26    2   53 o  176.303   7.2084   86.708   6.8495   79.565   9.6716   93.895   9.7020  168.791   10.604  183.816   9.7676 -15.02437 14.41686 
1 1 1  -26    2   54 o   78.521   13.185   19.261   5.6415   25.200   7.9759   13.315   7.9805   91.568   16.736   65.474   20.380 26.09415 26.37091 
1 1 1  -26    2   55 o   60.225   13.982   9.9568   5.8235   2.6701   8.0676   17.884   8.4146   45.710   19.226   74.741   20.307 -29.03066 27.96436 
1 1 1  -26    2   56 o  103.359   11.719   32.468   6.3247   28.381   9.0937   36.296   8.8025   95.360   18.313  111.359   14.628 -15.99924 23.43848 
1 1 1  -26    2   57 o   63.247   14.348   11.225   6.6597   22.854   9.4090  -0.4512   9.4275   82.723   21.009   43.772   19.546 38.95170 28.69530 
1 1 1  -26    2   60 o   34.462   11.756 -10.1408   6.6336  -6.1190   9.1156 -14.6681   9.6716   36.571   17.319   32.352   15.902 4.218784 23.51222 
1 1 1  -26    2   61 o   70.782   14.384   16.800   6.6799   29.776   9.8360   5.6918   9.1004   92.707   20.205   48.858   20.478 43.84961 28.76802 
1 1 1  -26    3    1 o  270.383   7.5524  197.706   11.014  199.167   16.095  196.419   15.106  271.312   10.978  269.454   10.374 1.857422 15.10477 
1 1 1  -26    3    2 o  382.177   11.705  395.270   24.172  395.270   24.172   0.0000   0.0000  382.177   11.705  ?   ?       ?      ? 
1 1 1  -26    3    3 o  613.445   11.185  1006.77   36.734  929.955   48.149  1113.74   56.819  585.875   15.209  641.015   16.404 -55.14032 22.36936 
1 1 1  -26    3    4 o  334.398   6.4731  302.922   11.057  300.901   19.014  303.954   13.592  333.500   10.551  335.297   7.5018 -1.797363 12.94619 
1 1 1  -26    3    5 o  704.042   8.7997  1341.55   33.473  1349.86   47.799  1333.55   46.890  706.172   12.526  701.911   12.363 4.261108 17.59937 
1 1 1  -26    3    6 o  727.695   9.0601  1433.50   35.626  1426.08   50.302  1440.97   50.464  725.804   12.826  729.587   12.800 -3.783386 18.12029 
1 1 1  -26    3    7 o  762.002   11.501  1593.60   45.492  1499.55   74.455  1649.64   57.466  743.478   18.533  780.525   13.625 -37.04742 23.00226 
1 1 1  -26    3    8 o  218.742   5.5266  128.142   6.4989  142.087   9.8142  117.252   8.6729  229.237   7.9229  208.246   7.7073 20.99097 11.05324 
1 1 1  -26    3    9 o  665.456   10.286  1200.92   35.000  1203.93   43.062  1195.05   60.079  666.962   11.948  663.950   16.746 3.012207 20.57124 
1 1 1  -26    3   10 o  671.234   8.4934  1219.46   30.806  1216.32   43.615  1222.59   43.519  670.369   12.040  672.099   11.983 -1.730164 16.98689 
1 1 1  -26    3   11 o  708.652   8.8716  1359.41   33.971  1349.20   47.820  1369.80   48.267  705.968   12.535  711.335   12.557 -5.367065 17.74316 
1 1 1  -26    3   12 o  426.740   6.1262  492.483   14.127  488.841   19.920  496.168   20.037  425.152   8.6707  428.327   8.6570 -3.174774 12.25249 
1 1 1  -26    3   13 o  1252.42   15.061  4261.41  101.883  4190.42  141.648  4337.50  146.649  1241.68   21.111  1263.15   21.485 -21.47021 30.12120 
1 1 1  -26    3   14 o  729.300   9.1198  1440.30   35.940  1442.56   50.969  1438.07   50.685  729.865   12.923  728.735   12.871 1.129150 18.23957 
1 1 1  -26    3   15 o  644.156   8.2180  1123.07   28.603  1130.75   40.753  1115.62   40.155  646.320   11.669  641.991   11.575 4.328979 16.43601 
1 1 1  -26    3   16 o  272.406   5.6490  200.438   8.3100  194.410   11.503  207.019   12.019  268.129   7.9389  276.684   8.0387 -8.555878 11.29810 
1 1 1  -26    3   17 o  468.053   6.5478  592.549   16.560  597.704   23.569  587.521   23.273  470.062   9.2787  466.043   9.2413 4.018921 13.09565 
1 1 1  -26    3   18 o  597.310   7.7477  965.377   25.001  977.138   35.830  954.217   34.902  600.847   11.035  593.773   10.878 7.073853 15.49549 
1 1 1  -26    3   19 o  588.933   7.6817  938.814   24.445  930.464   34.361  947.370   34.784  586.284   10.846  591.583   10.881 -5.298279 15.36339 
1 1 1  -26    3   20 o  469.718   6.5913  597.000   16.729  591.864   23.561  602.222   23.759  467.681   9.3228  471.755   9.3200 -4.075073 13.18251 
1 1 1  -26    3   21 f  711.952   8.9832  1373.49   34.559  1376.35   49.060  1370.68   48.690  712.682   12.739  711.223   12.669 1.458252 17.96646 
1 1 1  -26    3   22 o  365.775   5.9663  361.452   11.784  346.246   16.325  377.998   17.029  357.752   8.4446  373.797   8.4306 -16.04422 11.93260 
1 1 1  -26    3   23 f  248.854   5.8808  167.551   7.9075  169.912   11.188  165.194   11.178  250.608   8.2616  247.100   8.3715 3.508102 11.76164 
1 1 1  -26    3   24 o  404.753   6.1153  442.878   13.367  458.053   19.314  428.926   18.519  411.397   8.6880  398.108   8.6085 13.28879 12.23063 
1 1 1  -26    3   25 o   84.857   12.472   20.479   5.6072   24.752   7.6641   15.558   8.2252   95.449   14.859   74.266   20.035 21.18208 24.94364 
1 1 1  -26    3   26 o  334.234   5.7235  302.318   10.336  304.433   14.753  300.278   14.485  335.379   8.1407  333.089   8.0476 2.290100 11.44706 
1 1 1  -26    3   27 o  184.584   6.7145   92.393   6.6774  101.332   9.4983   83.659   9.3890  193.440   9.0868  175.727   9.8877 17.71361 13.42896 
1 1 1  -26    3   28 o  310.392   5.8003  260.651   9.7233  248.870   13.577  273.054   13.931  303.190   8.2872  317.593   8.1177 -14.40271 11.60066 
1 1 1  -26    3   29 o  299.452   5.9074  242.697   9.5547  238.508   13.276  247.197   13.762  296.779   8.2783  302.124   8.4297 -5.345123 11.81480 
1 1 1  -26    3   30 o  440.638   9.1243  527.249   21.700  539.865   31.600  515.991   29.852  445.573   13.124  435.703   12.679 9.870300 18.24858 
1 1 1  -26    3   32 o  265.654   11.262  191.757   16.167   0.0000   0.0000  191.757   16.167  ?   ?   265.654   11.262      ?      ? 
1 1 1  -26    3   33 o   77.691   13.307   17.035   5.5922   12.727   7.6422   22.001   8.2049   67.365   19.729   88.018   17.861 -20.65301 26.61304 
1 1 1  -26    3   34 o  333.784   5.8540  302.099   10.557  297.988   14.777  306.385   15.088  331.470   8.2497  336.099   8.3078 -4.628876 11.70799 
1 1 1  -26    3   35 o  353.950   5.8714  338.796   11.210  361.408   16.447  319.177   15.320  364.935   8.3404  342.965   8.2662 21.97025 11.74276 
1 1 1  -26    3   36 o  288.535   5.6960  225.766   8.8779  217.727   12.419  234.166   12.696  283.277   8.1134  293.793   7.9970 -10.51675 11.39206 
1 1 1  -26    3   37 o  500.945   6.9265  682.550   18.749  684.678   26.600  680.449   26.432  501.716   9.8115  500.175   9.7797 1.541138 13.85306 
1 1 1  -26    3   38 o  216.307   5.9643  127.138   6.9713  127.088   9.8482  127.188   9.8697  216.266   8.4271  216.349   8.4423 -0.8232117E-01 11.92851 
1 1 1  -26    3   39 o  213.930   5.9488  124.387   6.8704  123.131   9.4920  125.769   9.9569  212.822   8.2538  215.038   8.5688 -2.216293 11.89752 
1 1 1  -26    3   40 o   62.024   19.640   10.688   7.3795   10.688   7.3795   0.0000   0.0000   62.024   19.640  ?   ?       ?      ? 
1 1 1  -26    3   41 o  279.404   5.6643  212.405   8.5476  205.043   12.104  219.731   12.073  274.537   8.1587  284.270   7.8594 -9.733246 11.32850 
1 1 1  -26    3   42 o  322.493   5.7037  283.115   9.9385  284.445   14.171  281.827   13.942  323.224   8.1135  321.762   8.0188 1.462646 11.40740 
1 1 1  -26    3   43 o  155.554   7.1265   65.947   5.9663   69.653   8.9282   62.956   8.0199  159.425   10.364  151.684   9.7846 7.741653 14.25294 
1 1 1  -26    3   44 o  170.876   6.6506   80.075   6.1213   76.900   8.9084   82.915   8.4255  167.559   9.8388  174.193   8.9511 -6.634064 13.30126 
1 1 1  -26    3   45 o  224.287   5.8415  137.329   7.0759  143.503   10.076  131.320   9.9394  229.297   8.1319  219.276   8.3884 10.02043 11.68301 
1 1 1  -26    3   46 o  175.916   6.7947   84.974   6.4525   90.058   9.1927   80.036   9.0593  181.167   9.3902  170.666   9.8233 10.50102 13.58947 
1 1 1  -26    3   47 f  162.080   7.1611   72.745   6.2304   80.978   8.7258   64.181   8.8988  171.699   9.4048  152.460   10.802 19.23911 14.32217 
1 1 1  -26    3   48 o   99.337   10.476   27.900   5.6178   26.449   7.9235   29.366   7.9662   96.632   15.174  102.042   14.447 -5.410339 20.95180 
1 1 1  -26    3   49 o  112.156   9.5908   35.374   5.7803   40.328   8.3137   30.740   8.0421  119.991   12.822  104.322   14.266 15.66882 19.18157 
1 1 1  -26    3   50 o  229.018   6.1682  144.655   7.6134  135.715   10.913  153.132   10.627  221.926   9.1002  236.111   8.3289 -14.18478 12.33631 
1 1 1  -26    3   51 o  101.494   10.697   29.570   5.8439   26.712   8.2566   32.439   8.2724   96.279   15.870  106.710   14.346 -10.43063 21.39355 
1 1 1  -26    3   52 o  173.182   7.0383   83.262   6.5817   81.213   9.0995   85.510   9.5314  171.001   9.8477  175.363   10.058 -4.362793 14.07654 
1 1 1  -26    3   53 o  119.532   9.3619   40.734   6.0268   43.304   8.3990   38.006   8.6532  123.726   12.563  115.339   13.884 8.387268 18.72384 
1 1 1  -26    3   54 f  216.780   6.2728  130.052   7.3444  125.120   10.218  135.324   10.564  212.516   8.8977  221.044   8.8443 -8.528763 12.54555 
1 1 1  -26    3   55 o   42.557   12.914  -0.3998   5.6911   5.3594   7.8458  -6.7948   8.2675   49.450   19.646   35.665   16.768 13.78460 25.82889 
1 1 1  -26    3   56 o   76.612   13.942   19.123   5.9631   24.428   8.4146   13.771   8.4517   88.107   18.273   65.118   21.061 22.98822 27.88327 
1 1 1  -26    3   57 o   51.504   15.112   4.7795   7.3742  -7.6374   13.630   9.9183   8.7683   45.611   21.470   57.397   21.273 -11.78598 30.22483 
1 1 1  -26    3   60 o   74.689   15.128   20.045   6.4193   20.202   8.9446   19.878   9.2180   75.242   21.130   74.135   21.655 1.107841 30.25586 
1 1 1  -26    3   61 o   42.854   13.317  -0.0422   6.4863   7.0771   8.6125  -9.3724   9.8595   50.003   20.332   35.705   17.203 14.29761 26.63354 
1 1 1  -26    4    1 o  1135.09   19.436  3504.71  118.977  3630.63  174.965  3396.40  162.269  1153.80   28.063  1116.39   26.899 37.41797 38.87255 
1 1 1  -26    4    2 o  414.716   12.437  465.540   27.872  465.540   27.872   0.0000   0.0000  414.716   12.437  ?   ?       ?      ? 
1 1 1  -26    4    3 o  823.298   20.280  1840.31   90.222   0.0000   0.0000  1840.31   90.222  ?   ?   823.298   20.280      ?      ? 
1 1 1  -26    4    4 o  671.675   10.368  1215.48   35.192  1240.54   62.220  1203.70   42.674  676.439   17.022  666.910   11.841 9.529114 20.73577 
1 1 1  -26    4    5 o  414.218   5.9837  463.606   13.381  471.972   19.411  456.030   18.471  417.771   8.5983  410.666   8.3239 7.105011 11.96734 
1 1 1  -26    4    6 o  857.930   10.512  1993.50   48.722  2012.93   69.761  1975.00   68.075  861.992   14.977  853.867   14.754 8.125610 21.02358 
1 1 1  -26    4    7 o  114.745   8.2450   36.509   4.9701   31.012   7.6254   40.570   6.5533  107.024   13.185  122.466   9.9028 -15.44213 16.49000 
1 1 1  -26    4    8 o  222.050   7.1222  137.584   7.7569  123.153   13.975  144.010   9.3254  213.308   12.124  230.792   7.4775 -17.48405 14.24448 
1 1 1  -26    4    9 o  980.745   11.931  2602.65   63.131  2519.31   86.400  2698.10   92.469  963.995   16.586  997.496   17.155 -33.50171 23.86235 
1 1 1  -26    4   10 o  517.460   8.5411  714.312   22.237  696.781   26.765  753.378   39.955  507.524   9.7594  527.395   14.020 -19.87122 17.08222 
1 1 1  -26    4   11 o  750.552   9.3368  1525.37   37.866  1512.84   53.246  1538.19   53.860  747.436   13.183  753.667   13.225 -6.230652 18.67361 
1 1 1  -26    4   12 o  430.488   6.1686  501.058   14.344  506.919   20.604  495.545   19.983  432.927   8.8073  428.050   8.6393 4.876221 12.33714 
1 1 1  -26    4   13 o  422.803   6.1432  483.454   14.033  485.185   20.032  481.786   19.666  423.543   8.7525  422.063   8.6226 1.480011 12.28644 
1 1 1  -26    4   14 o  425.965   6.2080  490.446   14.282  499.694   20.608  481.901   19.810  429.821   8.8729  422.109   8.6849 7.712372 12.41595 
1 1 1  -26    4   15 o  251.316   5.6741  170.795   7.7036  175.935   10.938  165.736   10.852  255.070   7.9357  247.562   8.1120 7.508301 11.34813 
1 1 1  -26    4   16 o  365.889   5.8440  361.986   11.553  358.140   16.188  365.979   16.494  363.910   8.2319  367.869   8.2974 -3.958527 11.68805 
1 1 1  -26    4   17 o  407.306   6.1151  448.647   13.457  452.150   19.233  445.288   18.835  408.860   8.7053  405.752   8.5904 3.108185 12.23015 
1 1 1  -26    4   18 o  114.178   9.6089   35.407   5.9096   32.224   8.3715   38.569   8.3433  109.035   14.209  119.320   12.940 -10.28506 19.21788 
1 1 1  -26    4   19 o  739.965   9.2729  1483.19   37.068  1458.80   51.696  1508.99   53.179  733.720   13.039  746.210   13.188 -12.49005 18.54570 
1 1 1  -26    4   20 o  590.152   7.7300  942.652   24.645  925.375   34.408  960.855   35.317  584.606   10.892  595.698   10.972 -11.09247 15.46000 
1 1 1  -26    4   21 o  652.190   8.3654  1152.12   29.481  1146.41   41.622  1157.88   41.764  650.566   11.840  653.815   11.821 -3.248413 16.73082 
1 1 1  -26    4   22 o  1021.14   12.428  2833.36   68.574  2810.52   96.298  2856.85   97.673  1016.98   17.523  1025.30   17.629 -8.312988 24.85681 
1 1 1  -26    4   23 o  134.751   8.5772   49.125   6.2390   51.104   9.0807   47.354   8.5866  137.314   12.238  132.187   12.021 5.126663 17.15449 
1 1 1  -26    4   24 o  528.898   7.1359  757.659   20.394  756.312   28.833  759.006   28.850  528.427   10.098  529.369   10.086 -0.9417725 14.27181 
1 1 1  -26    4   25 o  516.483   7.0053  722.558   19.551  718.686   27.583  726.468   27.716  515.092   9.9097  517.874   9.9041 -2.781921 14.01051 
1 1 1  -26    4   26 o   56.865   14.166   7.7039   5.4234   8.7407   7.7329   6.7002   7.6081   59.021   20.175   54.709   19.891 4.311382 28.33194 
1 1 1  -26    4   27 o   55.158   12.663   3.0189   5.5821  -8.7712   7.6257   16.629   8.1932   33.726   15.932   76.591   19.688 -42.86521 25.32681 
1 1 1  -26    4   28 o  379.742   6.0196  390.505   12.351  384.558   17.457  396.466   17.478  376.841   8.5729  382.643   8.4528 -5.802124 12.03929 
1 1 1  -26    4   29 o  144.428   11.399   57.062   8.8640   60.113   12.256   53.716   12.835  148.556   15.268  140.300   16.929 8.256104 22.79740 
1 1 1  -26    4   30 o   29.040   14.644 -34.4820   10.732   0.0000   0.0000 -34.4820   10.732  ?   ?    29.040   14.644      ?      ? 
1 1 1  -26    4   32 o   54.072   15.908   2.0787   7.6850  -0.4016   11.763   3.9257   10.151   53.134   22.812   55.009   22.178 -1.875156 31.81568 
1 1 1  -26    4   33 o   34.032   11.183 -10.4039   5.4078  -1.0723   7.4440 -20.8324   7.8694   41.308   17.941   26.756   13.355 14.55149 22.36591 
1 1 1  -26    4   34 o  290.613   5.6944  229.010   8.9409  223.549   12.543  234.652   12.748  287.087   8.0854  294.139   8.0206 -7.052002 11.38874 
1 1 1  -26    4   35 o  117.411   8.9664   37.516   5.6751   34.077   7.8134   41.357   8.2566  111.706   12.944  123.115   12.411 -11.40860 17.93274 
1 1 1  -26    4   36 o  136.818   7.8111   51.378   5.7154   43.288   8.1286   59.289   8.0378  125.991   11.940  147.645   10.075 -21.65456 15.62219 
1 1 1  -26    4   37 o  200.134   6.1350  108.645   6.6295  113.853   9.5971  103.892   9.1687  204.714   8.6757  195.554   8.6767 9.160263 12.26999 
1 1 1  -26    4   38 o  287.744   5.6118  224.890   8.7254  222.890   12.325  226.899   12.354  286.457   7.9626  289.032   7.9099 -2.574951 11.22360 
1 1 1  -26    4   39 o  155.771   7.2367   66.274   6.0826   62.469   8.6279   70.034   8.5764  151.273   10.555  160.269   9.9030 -8.995773 14.47331 
1 1 1  -26    4   40 o  292.327   5.7088  231.773   9.0063  246.187   13.128  218.956   12.379  300.891   8.0740  283.763   8.0730 17.12827 11.41768 
1 1 1  -26    4   41 o  339.345   5.8419  313.101   10.706  322.157   15.463  304.762   14.839  344.038   8.3175  334.653   8.2056 9.384644 11.68382 
1 1 1  -26    4   42 o  218.621   5.8690  130.258   6.9315  128.581   9.8759  131.887   9.7310  217.208   8.4142  220.034   8.1843 -2.825943 11.73802 
1 1 1  -26    4   43 o  254.130   5.6482  175.394   7.7424  187.016   11.364  165.327   10.577  261.948   8.0287  246.312   7.9465 15.63649 11.29634 
1 1 1  -26    4   44 o   91.516   16.397   24.137   7.8107   24.137   7.8107   0.0000   0.0000   91.516   16.397  ?   ?       ?      ? 
1 1 1  -26    4   45 o   63.107   13.875   11.485   5.2329   11.783   7.3183   11.173   7.4855   63.750   19.462   62.465   19.781 1.285049 27.74928 
1 1 1  -26    4   46 o  176.552   6.5983   85.661   6.2811   83.614   9.1242   87.505   8.6596  174.440   9.6797  178.664   8.9696 -4.224457 13.19661 
1 1 1  -26    4   47 f  295.462   5.7332  238.940   9.1496  233.844   13.034  243.890   12.847  292.289   8.2524  298.635   7.9610 -6.345612 11.46644 
1 1 1  -26    4   48 o  106.028   10.025   31.713   5.7321   31.373   8.3490   32.016   7.8837  105.336   14.668  106.721   13.671 -1.384666 20.05096 
1 1 1  -26    4   49 o  434.093   6.5418  518.935   15.345  520.524   21.737  517.357   21.665  434.754   9.2528  433.431   9.2503 1.322632 13.08368 
1 1 1  -26    4   50 o  153.699   7.5446   65.539   6.2608   63.691   8.6407   67.582   9.0842  151.465   10.557  155.933   10.781 -4.468399 15.08922 
1 1 1  -26    4   51 o   82.680   12.972   20.700   5.6507   17.986   7.7694   23.748   8.2333   76.587   18.891   88.773   17.783 -12.18616 25.94449 
1 1 1  -26    4   52 o  182.846   6.9391   93.337   6.8072  105.277   9.5936   81.230   9.6604  195.033   9.1031  170.659   10.476 24.37386 13.87818 
1 1 1  -26    4   53 o   99.675   11.149   29.434   5.7702   24.367   8.2510   34.284   8.0725   89.685   17.654  109.664   13.622 -19.97872 22.29859 
1 1 1  -26    4   54 o  119.791   9.5756   41.724   6.0820   33.895   8.7698   48.977   8.4420  108.007   15.026  131.576   11.874 -23.56885 19.15115 
1 1 1  -26    4   55 f   51.481   14.133   6.3279   5.6956   8.3792   7.9360   4.1491   8.1792   54.890   20.260   48.072   19.711 6.817616 28.26608 
1 1 1  -26    4   56 o  129.612   9.2256   48.991   6.3583   59.042   9.0640   39.254   8.9216  143.666   11.676  115.558   14.287 28.10760 18.45126 
1 1 1  -26    4   57 o   52.466   23.770  -0.2784   14.521  -0.2784   14.521   0.0000   0.0000   52.466   23.770  ?   ?       ?      ? 
1 1 1  -26    4   59 o   80.761   26.522   27.230   13.380   27.230   13.380   0.0000   0.0000   80.761   26.522  ?   ?       ?      ? 
1 1 1  -26    4   60 o   94.427   13.275   29.640   6.6138   21.986   9.3015   37.466   9.4060   78.817   21.323  110.037   15.819 -31.21974 26.55018 
1 1 1  -26    4   61 o  156.744   8.6521   73.043   7.2986   64.721   10.013   82.476   10.660  146.776   12.625  166.712   11.834 -19.93646 17.30414 
1 1 1  -26    5    1 f  493.382   9.5202  658.745   25.366  627.027   35.425  692.117   36.338  481.189   13.624  505.575   13.301 -24.38614 19.04036 
1 1 1  -26    5    2 f  278.229   10.931  209.459   16.434   0.0000   0.0000  209.459   16.434  ?   ?   278.229   10.931      ?      ? 
1 1 1  -26    5    3 o  620.427   15.895  1043.24   53.290   0.0000   0.0000  1043.24   53.290  ?   ?   620.427   15.895      ?      ? 
1 1 1  -26    5    4 o  436.876   6.1712  516.061   14.566  502.798   20.462  529.688   20.740  431.183   8.7820  442.568   8.6726 -11.38501 12.34249 
1 1 1  -26    5    5 f  475.945   6.5253  612.379   16.772  620.732   24.208  604.668   23.259  479.058   9.3515  472.832   9.1032 6.225861 13.05063 
1 1 1  -26    5    6 o  348.772   5.5803  328.412   10.499  337.021   15.380  320.901   14.367  353.039   8.0623  344.505   7.7174 8.534668 11.16061 
1 1 1  -26    5    7 o  434.405   6.2223  510.397   14.603  497.174   20.616  523.713   20.687  428.753   8.8985  440.057   8.6998 -11.30414 12.44469 
1 1 1  -26    5    8 o  818.572   12.327  1840.72   52.325  1731.76   85.825  1905.18   66.013  798.562   19.889  838.582   14.568 -40.01996 24.65373 
1 1 1  -26    5    9 o  968.052   14.436  2561.36   71.729  2495.50  121.469  2596.63   88.880  957.587   23.475  978.518   16.809 -20.93134 28.87232 
1 1 1  -26    5   10 o  551.043   8.9984  812.668   24.983  796.388   30.138  848.423   44.665  542.532   10.280  559.554   14.772 -17.02148 17.99690 
1 1 1  -26    5   11 o  146.374   9.1169   58.831   6.7564   60.432   8.2857   55.653   11.672  149.449   10.260  143.299   15.073 6.149704 18.23374 
1 1 1  -26    5   12 o  743.301   9.2856  1496.12   37.294  1481.48   52.365  1511.19   53.125  739.615   13.102  746.986   13.161 -7.370605 18.57130 
1 1 1  -26    5   13 o  134.203   8.1072   48.794   5.8719   47.689   8.4597   49.821   8.1568  132.729   11.795  135.677   11.126 -2.948364 16.21437 
1 1 1  -26    5   14 o  204.988   6.1126  113.704   6.7626  106.801   9.5306  120.704   9.5973  198.713   8.8758  211.263   8.4070 -12.54984 12.22529 
1 1 1  -26    5   15 o  573.918   7.5314  891.297   23.355  894.603   33.258  888.081   32.805  574.964   10.704  572.873   10.597 2.090576 15.06272 
1 1 1  -26    5   16 o  642.400   8.2309  1117.19   28.571  1116.94   40.551  1117.43   40.263  642.324   11.683  642.476   11.597 -0.1514282 16.46190 
1 1 1  -26    5   17 o  840.631   10.381  1915.83   47.157  1916.83   66.811  1914.83   66.571  840.845   14.704  840.417   14.659 0.4284058 20.76290 
1 1 1  -26    5   18 o  603.528   7.8574  986.232   25.625  982.351   36.191  990.134   36.287  602.337   11.119  604.720   11.105 -2.383118 15.71487 
1 1 1  -26    5   19 o  498.994   6.8883  673.758   18.571  663.468   26.039  684.412   26.495  495.118   9.7326  502.870   9.7503 -7.752441 13.77650 
1 1 1  -26    5   20 o  723.879   9.1155  1419.98   35.654  1422.89   50.698  1417.13   50.152  724.604   12.948  723.154   12.834 1.450256 18.23099 
1 1 1  -26    5   21 o  575.571   7.5830  896.821   23.583  883.152   33.093  910.925   33.614  571.116   10.723  580.027   10.725 -8.910278 15.16604 
1 1 1  -26    5   22 o  269.998   8.2247  197.233   12.000  197.233   12.000   0.0000   0.0000  269.998   8.2247  ?   ?       ?      ? 
1 1 1  -26    5   23 o  455.912   9.2707  562.729   22.839   0.0000   0.0000  562.729   22.839  ?   ?   455.912   9.2707      ?      ? 
1 1 1  -26    5   24 o  255.020   5.9572  176.096   8.1918  175.086   11.964  176.988   11.240  254.316   8.7057  255.725   8.1340 -1.409454 11.91434 
1 1 1  -26    5   25 o  406.097   6.1299  446.251   13.448  433.756   18.794  459.362   19.251  400.272   8.6891  411.921   8.6487 -11.64899 12.25971 
1 1 1  -26    5   26 o  341.637   5.8620  315.950   10.821  316.324   15.396  315.585   15.212  341.834   8.3350  341.441   8.2450 0.3926086 11.72404 
1 1 1  -26    5   27 o  263.029   5.7518  187.046   8.1694  178.274   11.332  196.538   11.788  256.615   8.1724  269.444   8.0961 -12.82907 11.50368 
1 1 1  -26    5   28 o  181.259   7.9460   87.305   7.4637   82.990   9.2177   95.518   12.718  174.984   9.7485  187.533   12.551 -12.54906 15.89193 
1 1 1  -26    5   29 o  381.421   8.6159  395.250   17.758  391.667   25.044  398.874   25.183  379.679   12.207  383.164   12.163 -3.485046 17.23185 
1 1 1  -26    5   30 o  113.204   21.683   36.419   12.781   0.0000   0.0000   36.419   12.781  ?   ?   113.204   21.683      ?      ? 
1 1 1  -26    5   31 o  283.357   11.224  218.153   17.185   0.0000   0.0000  218.153   17.185  ?   ?   283.357   11.224      ?      ? 
1 1 1  -26    5   32 o  233.129   8.7281  147.360   10.974  158.919   16.105  137.342   14.993  241.630   12.334  224.627   12.352 17.00374 17.45621 
1 1 1  -26    5   33 f  452.225   6.5262  552.824   15.897  583.108   23.654  527.879   21.468  463.422   9.4458  441.028   9.0081 22.39438 13.05249 
1 1 1  -26    5   34 o  363.957   5.8965  358.979   11.589  372.889   16.773  346.274   16.030  370.687   8.3736  357.226   8.3041 13.46072 11.79303 
1 1 1  -26    5   35 o  372.052   5.9491  375.691   11.958  366.128   16.858  385.377   16.965  367.270   8.4944  376.834   8.3314 -9.563873 11.89821 
1 1 1  -26    5   36 o   93.506   11.166   24.183   5.4230   31.394   8.0815   18.276   7.3142  107.082   13.967   79.931   17.426 27.15160 22.33208 
1 1 1  -26    5   37 o  148.742   7.4778   60.400   5.9993   56.903   8.5517   63.788   8.4185  144.449   10.956  153.036   10.180 -8.586533 14.95559 
1 1 1  -26    5   38 o  281.079   5.7012  214.533   8.6560  220.950   12.447  208.523   12.046  285.143   8.0779  277.014   8.0473 8.129059 11.40231 
1 1 1  -26    5   39 o   58.804   13.983   9.1479   5.2670   10.314   7.5065   8.0166   7.3922   61.322   19.850   56.286   19.701 5.036465 27.96671 
1 1 1  -26    5   40 o  157.821   7.1916   68.227   6.1115   73.416   8.5448   62.792   8.7446  164.069   9.6380  151.573   10.677 12.49582 14.38330 
1 1 1  -26    5   41 f  216.212   5.9391  127.275   6.9381  129.362   9.9060  125.266   9.7205  217.949   8.4111  214.476   8.3873 3.473267 11.87829 
1 1 1  -26    5   42 o   98.101   10.062   26.679   5.3097   26.733   7.8936   26.634   7.1757   98.073   14.895   98.130   13.533 -0.5657196E-01 20.12421 
1 1 1  -26    5   43 o   56.071   13.396   7.6408   5.1918   13.072   7.3500   2.2328   7.3346   66.970   19.272   45.172   18.610 21.79795 26.79112 
1 1 1  -26    5   44 o  181.709   6.4835   90.272   6.3183  105.639   9.1376   76.194   8.7461  196.654   8.5989  166.764   9.7057 29.89012 12.96692 
1 1 1  -26    5   45 o  258.745   5.7327  183.155   8.0000  177.564   11.565  188.284   11.078  254.850   8.3981  262.640   7.8056 -7.790085 11.46540 
1 1 1  -26    5   46 o  305.040   5.7606  254.283   9.4891  260.147   13.725  248.913   13.134  308.366   8.2366  301.715   8.0559 6.650513 11.52124 
1 1 1  -26    5   47 o   73.267   13.313   16.358   5.4455   20.724   7.4460   11.338   7.9843   83.879   17.010   62.655   20.484 21.22392 26.62535 
1 1 1  -26    5   48 o  193.534   6.5684  103.049   6.8343   89.713   9.4844  117.453   9.8566  180.341   9.7326  206.726   8.8236 -26.38512 13.13690 
1 1 1  -26    5   49 f   93.545   12.289   25.910   5.9806   26.636   8.6205   25.236   8.3040   94.796   17.473   92.294   17.286 2.501511 24.57814 
1 1 1  -26    5   50 o   77.897   13.509   18.536   5.6721   21.422   8.1163   15.781   7.9300   84.115   18.371   71.679   19.812 12.43669 27.01893 
1 1 1  -26    5   51 f   85.740   12.464   22.074   5.6787   18.085   8.0533   26.020   8.0086   76.496   19.442   94.984   15.603 -18.48778 24.92867 
1 1 1  -26    5   52 o  139.523   8.5056   54.721   6.3980   60.128   9.2875   49.839   8.8264  146.193   11.757  132.853   12.295 13.34079 17.01122 
1 1 1  -26    5   53 o   71.878   13.827   16.115   5.7100   10.912   8.1075   21.236   8.0432   60.579   20.658   83.177   18.384 -22.59834 27.65409 
1 1 1  -26    5   54 o  132.923   12.375   50.265   8.8885   50.265   8.8885   0.0000   0.0000  132.923   12.375  ?   ?       ?      ? 
1 1 1  -26    5   55 o  177.018   7.2801   87.934   6.9543   82.170   9.7604   93.877   9.9111  170.951   10.566  183.085   10.018 -12.13461 14.56022 
1 1 1  -26    5   56 o  140.220   8.7818   56.769   6.6520   58.667   9.5126   54.953   9.3056  142.564   12.348  137.876   12.490 4.688126 17.56353 
1 1 1  -26    5   57 o   59.933   26.155   6.2950   15.981   6.2950   15.981   0.0000   0.0000   59.933   26.155  ?   ?       ?      ? 
1 1 1  -26    5   59 o  117.979   13.574   42.741   8.0752   66.644   14.080   31.024   9.8576  141.670   18.392   94.288   19.969 47.38190 27.14841 
1 1 1  -26    5   60 o   58.231   15.683   11.114   6.8631   8.9700   9.4298   13.529   10.008   54.483   21.572   61.980   22.771 -7.496639 31.36661 
1 1 1  -26    5   61 o   42.377   13.466   0.1474   6.6206  -4.9378   9.4305   5.0894   9.2968   37.535   17.727   47.219   20.276 -9.684284 26.93273 
1 1 1  -26    6    1 o  340.392   7.3744  302.141   11.844  336.937   23.998  290.935   13.619  352.765   12.589  328.018   7.6833 24.74741 14.74884 
1 1 1  -26    6    2 o  423.125   12.243  484.685   27.993   0.0000   0.0000  484.685   27.993  ?   ?   423.125   12.243      ?      ? 
1 1 1  -26    6    3 f  226.017   8.7026  139.066   10.459  133.761   16.141  142.905   13.731  222.237   13.441  229.796   11.058 -7.559464 17.40517 
1 1 1  -26    6    4 o  396.597   5.9463  425.469   12.739  413.032   18.024  437.885   18.008  390.798   8.5349  402.396   8.2818 -11.59750 11.89258 
1 1 1  -26    6    5 o  472.342   6.5579  603.438   16.736  590.203   23.560  616.921   23.779  467.110   9.3339  477.573   9.2144 -10.46292 13.11590 
1 1 1  -26    6    6 o  183.607   6.1333   91.420   6.0477   88.803   8.9969   93.578   8.1683  181.192   9.1890  186.023   8.1261 -4.830872 12.26664 
1 1 1  -26    6    7 o  340.843   5.6447  313.774   10.380  320.517   15.181  307.855   14.223  344.271   8.1606  337.416   7.8009 6.855621 11.28931 
1 1 1  -26    6    8 o  708.097   8.9102  1357.31   34.083  1370.04   48.902  1345.29   47.528  711.308   12.723  704.885   12.478 6.423157 17.82047 
1 1 1  -26    6    9 f  664.478   10.336  1217.26   35.741  1114.19   57.668  1281.55   45.543  640.951   16.650  688.006   12.250 -47.05469 20.67130 
1 1 1  -26    6   10 o  1106.93   16.393  3360.90   93.448  3247.75  156.756  3423.27  116.391  1091.08   26.588  1122.78   19.184 -31.69556 32.78594 
1 1 1  -26    6   11 o  850.471   12.869  1960.04   55.719  1953.96   68.156  1972.30   96.753  849.127   14.854  851.814   21.020 -2.687012 25.73876 
1 1 1  -26    6   12 o  453.205   7.9195  555.834   18.348  555.708   22.552  556.081   31.558  453.255   9.2077  453.156   12.888 0.9948730E-01 15.83891 
1 1 1  -26    6   13 f  515.688   6.9898  719.360   19.476  707.258   27.354  731.804   27.737  511.289   9.9005  520.087   9.8696 -8.798645 13.97964 
1 1 1  -26    6   14 o  983.758   11.980  2625.45   63.685  2615.84   89.884  2635.14   90.246  981.951   16.940  985.565   16.946 -3.613525 23.96047 
1 1 1  -26    6   15 o  574.868   7.5645  894.441   23.497  893.222   33.382  895.638   33.079  574.474   10.754  575.261   10.642 -0.7868042 15.12895 
1 1 1  -26    6   16 o  309.032   5.7800  258.062   9.6470  247.362   13.421  269.501   13.876  302.409   8.2130  315.655   8.1352 -13.24622 11.56009 
1 1 1  -26    6   17 o  261.727   5.8613  185.294   8.2890  186.068   11.796  184.538   11.650  262.266   8.3236  261.188   8.2544 1.077942 11.72255 
1 1 1  -26    6   18 o  251.076   5.8905  170.400   7.9883  177.113   11.473  164.084   11.129  255.873   8.2981  246.279   8.3625 9.593994 11.78091 
1 1 1  -26    6   19 o  288.262   5.7055  224.742   8.8852  226.093   12.721  223.455   12.415  289.104   8.1432  287.419   7.9937 1.684784 11.41100 
1 1 1  -26    6   20 o  266.678   8.1582  192.385   11.756   0.0000   0.0000  192.385   11.756  ?   ?   266.678   8.1582      ?      ? 
1 1 1  -26    6   21 o  486.979   6.8100  632.809   17.767  574.826   23.335  712.793   27.406  460.838   9.3706  513.119   9.8842 -52.28079 13.62006 
1 1 1  -26    6   22 o  441.003   6.3955  526.393   15.239  517.804   21.413  535.209   21.693  437.356   9.0606  444.649   9.0286 -7.293030 12.79101 
1 1 1  -26    6   23 o   88.940   12.283   22.283   5.6864   21.924   8.2196   22.612   7.8749   88.159   17.866   89.721   16.862 -1.561562 24.56674 
1 1 1  -26    6   24 o  687.300   8.7422  1280.79   32.457  1255.27   45.188  1307.99   46.649  680.248   12.293  694.352   12.433 -14.10431 17.48439 
1 1 1  -26    6   25 o   91.107   11.995   23.005   5.7575   26.960   8.3094   19.352   7.9850   99.563   15.445   82.651   18.357 16.91254 23.98969 
1 1 1  -26    6   26 o  196.959   6.3808  105.107   6.7882  102.839   9.6681  107.312   9.5333  194.854   9.1821  199.063   8.8627 -4.209595 12.76158 
1 1 1  -26    6   27 o  589.332   7.7700  942.046   24.744  936.267   34.941  947.860   35.045  587.516   11.006  591.149   10.971 -3.633301 15.54000 
1 1 1  -26    6   28 o  137.114   11.282   50.936   8.3277   47.523   11.200   55.158   12.454  132.030   15.698  142.199   16.208 -10.16934 22.56389 
1 1 1  -26    6   29 o  331.309   8.3190  298.197   14.889  288.513   20.935  308.108   21.179  325.847   11.890  336.771   11.638 -10.92346 16.63791 
1 1 1  -26    6   30 o  169.684   14.107   78.468   12.935   0.0000   0.0000   78.468   12.935  ?   ?   169.684   14.107      ?      ? 
1 1 1  -26    6   31 o  223.289   8.6741  134.050   10.367  147.117   16.044  124.685   13.583  232.453   12.773  214.125   11.739 18.32748 17.34828 
1 1 1  -26    6   32 o  144.819   9.2918   56.818   6.9677   55.931   8.6605   58.446   11.732  143.407   11.176  146.231   14.847 -2.823746 18.58355 
1 1 1  -26    6   33 o  202.435   6.2014  111.216   6.7801  111.831   9.7617  110.644   9.4241  202.961   8.9007  201.909   8.6377 1.052063 12.40290 
1 1 1  -26    6   34 o  142.400   7.6639   55.255   5.8839   54.312   8.5730   56.095   8.0901  141.210   11.235  143.589   10.427 -2.378784 15.32777 
1 1 1  -26    6   35 o  254.670   5.8073  175.882   7.9761  161.197   11.115  191.469   11.452  243.688   8.4412  265.652   7.9776 -21.96434 11.61450 
1 1 1  -26    6   36 o  146.535   7.4864   58.427   5.9185   53.961   8.2306   63.208   8.5167  140.717   10.824  152.353   10.345 -11.63638 14.97274 
1 1 1  -26    6   37 o  113.749   8.9994   35.477   5.5216   37.889   7.8068   33.064   7.8107  117.674   12.277  109.824   13.161 7.850334 17.99871 
1 1 1  -26    6   38 o   81.317   12.742   19.414   5.4464   16.041   8.1362   22.154   7.3312   74.392   19.866   88.241   15.963 -13.84956 25.48419 
1 1 1  -26    6   39 o  122.873   8.3469   41.297   5.5347   44.401   7.9728   38.409   7.6894  127.355   11.585  118.392   12.019 8.963585 16.69387 
1 1 1  -26    6   40 o   95.334   10.789   25.150   5.5548   24.853   7.7066   25.472   8.0138   94.779   15.047   95.889   15.466 -1.109695 21.57828 
1 1 1  -26    6   41 o  190.482   6.3777   99.047   6.5354   98.464   9.6941   99.531   8.8485  189.879   9.4480  191.086   8.5695 -1.207199 12.75543 
1 1 1  -26    6   42 f  126.784   8.0880   44.171   5.5362   44.789   8.0215   43.609   7.6504  127.592   11.634  125.976   11.239 1.616287 16.17601 
1 1 1  -26    6   43 o   74.119   12.545   15.809   5.4581   6.9252   7.7087   24.740   7.7293   54.094   19.967   94.144   15.194 -40.04993 25.09040 
1 1 1  -26    6   44 o  122.857   8.7139   41.908   5.7553   39.804   8.4409   43.737   7.8676  119.793   13.040  125.921   11.563 -6.127747 17.42786 
1 1 1  -26    6   45 o   87.558   12.154   22.451   5.5302   22.455   8.1503   22.448   7.5284   87.315   17.876   87.800   16.473 -0.4855728 24.30864 
1 1 1  -26    6   46 o   73.791   13.154   16.072   5.2824   19.793   7.7667   12.869   7.2058   81.678   18.075   65.905   19.116 15.77261 26.30860 
1 1 1  -26    6   47 o  115.202   9.0573   36.952   5.6271   39.912   8.2616   34.390   7.6853  119.494   12.795  110.911   12.823 8.582726 18.11467 
1 1 1  -26    6   48 o   50.841   14.019   5.4119   5.5690   4.5536   7.9412   6.2425   7.8119   49.503   19.734   52.179   19.917 -2.676281 28.03835 
1 1 1  -26    6   49 f  173.470   7.1085   83.137   6.6553   86.065   9.7054   80.538   9.1438  176.293   10.188  170.648   9.9161 5.645508 14.21702 
1 1 1  -26    6   50 o   77.234   13.826   18.376   5.7744   18.170   8.2847   18.571   8.0527   76.705   19.839   77.762   19.263 -1.057564 27.65264 
1 1 1  -26    6   51 o   58.564   13.849   9.1461   5.6517   2.4984   7.9903   15.802   7.9952   45.848   19.201   71.279   19.963 -25.43024 27.69867 
1 1 1  -26    6   52 o   51.876   14.307   6.1697   5.7977   5.3204   8.4320   6.9313   7.9846   50.858   20.316   52.893   20.149 -2.035847 28.61311 
1 1 1  -26    6   53 o   36.427   12.031  -6.3545   5.8260  -4.3950   8.6594  -7.9750   7.8748   39.056   17.944   33.798   16.032 5.258064 24.06298 
1 1 1  -26    6   54 o  131.887   8.8470   50.091   6.2051   40.793   8.8430   59.111   8.7092  118.981   13.754  144.792   11.131 -25.81101 17.69404 
1 1 1  -26    6   55 o   61.915   14.945   12.099   6.0173   11.077   8.6160   13.073   8.4074   59.970   21.245   63.859   21.026 -3.888416 29.89049 
1 1 1  -26    6   56 o   66.698   16.158   10.459   7.1462   27.770   12.922   2.8330   8.5771   87.319   25.678   46.077   19.622 41.24192 32.31681 
1 1 1  -26    6   59 o  106.689   13.322   37.648   7.4938   42.328   11.317   33.995   10.000  113.251   18.493  100.128   19.181 13.12204 26.64429 
1 1 1  -26    6   60 o   39.378   13.026  -4.5373   6.9173  -2.6543   9.8782  -6.3490   9.6896   41.050   18.970   37.707   17.857 3.342442 26.05206 
1 1 1  -26    7    1 o  558.556   14.860  845.495   44.852   0.0000   0.0000  845.495   44.852  ?   ?   558.556   14.860      ?      ? 
1 1 1  -26    7    2 o  389.063   8.8984  408.904   18.583  418.018   28.079  401.802   24.789  392.867   13.227  385.259   11.907 7.607849 17.79687 
1 1 1  -26    7    3 o  867.475   13.163  2023.98   57.482  1991.65   69.370  2094.82  102.685  857.250   14.975  877.700   21.651 -20.44971 26.32519 
1 1 1  -26    7    4 o  383.019   5.9374  396.633   12.279  399.632   17.754  393.884   17.000  384.399   8.5472  381.638   8.2436 2.761108 11.87480 
1 1 1  -26    7    5 o  184.147   9.3449   91.730   9.2988   91.730   9.2988   0.0000   0.0000  184.147   9.3449  ?   ?       ?      ? 
1 1 1  -26    7    6 o  123.545   8.2577   41.559   5.4685   39.070   8.1208   43.624   7.3970  120.123   12.511  126.966   10.782 -6.842842 16.51549 
1 1 1  -26    7    7 o  232.523   5.8829  146.199   7.3524  146.406   10.982  146.031   9.8977  232.661   8.7355  232.385   7.8820 0.2756500 11.76582 
1 1 1  -26    7    8 o  642.441   8.2498  1116.90   28.629  1127.57   41.135  1106.88   39.870  645.402   11.795  639.479   11.538 5.922363 16.49968 
1 1 1  -26    7    9 o  621.585   8.0474  1045.35   27.025  1024.21   37.775  1067.51   38.678  615.153   11.364  628.018   11.398 -12.86432 16.09487 
1 1 1  -26    7   10 o  790.323   12.134  1685.56   48.296  1718.92   85.919  1670.15   58.395  795.440   19.989  785.206   13.763 10.23450 24.26891 
1 1 1  -26    7   11 o  651.946   10.378  1129.15   33.418  1207.66   62.265  1097.38   39.606  667.174   17.271  636.718   11.511 30.45593 20.75561 
1 1 1  -26    7   12 o  562.640   9.1853  852.123   26.249  842.164   31.964  872.748   45.997  557.850   10.604  567.430   15.001 -9.579590 18.37051 
1 1 1  -26    7   13 o  465.953   8.1381  581.112   19.196  569.124   23.254  606.757   34.011  458.652   9.3827  473.254   13.300 -14.60162 16.27616 
1 1 1  -26    7   14 o  411.797   6.1902  458.761   13.773  449.007   19.443  468.583   19.512  407.399   8.8321  416.195   8.6758 -8.795837 12.38045 
1 1 1  -26    7   15 o  458.176   9.2072  568.022   22.795   0.0000   0.0000  568.022   22.795  ?   ?   458.176   9.2072      ?      ? 
1 1 1  -26    7   16 o  576.688   7.6047  900.424   23.696  900.420   33.748  900.428   33.278  576.679   10.830  576.698   10.679 -0.1947021E-01 15.20933 
1 1 1  -26    7   17 o  681.303   8.6836  1257.35   31.963  1266.97   45.720  1248.16   44.701  683.838   12.373  678.768   12.187 5.069397 17.36710 
1 1 1  -26    7   18 o  268.025   5.8662  194.701   8.4800  184.515   12.139  204.409   11.851  261.152   8.6021  274.897   7.9782 -13.74417 11.73232 
1 1 1  -26    7   19 o  211.854   6.3068  120.872   7.2002  133.850   10.574  109.651   9.8321  222.412   8.7978  201.297   9.0390 21.11479 12.61367 
1 1 1  -26    7   20 o  171.205   9.9179   79.360   9.1754   79.360   9.1754   0.0000   0.0000  171.205   9.9179  ?   ?       ?      ? 
1 1 1  -26    7   21 o  375.338   5.9515  380.808   12.058  390.928   17.546  371.752   16.598  380.048   8.5438  370.628   8.2875 9.419159 11.90292 
1 1 1  -26    7   22 o   64.113   13.880   11.226   5.3480   8.4368   7.8282   13.667   7.3235   58.555   20.286   69.671   18.950 -11.11699 27.76041 
1 1 1  -26    7   23 o   63.260   13.608   10.205   5.5343   3.3925   7.8556   16.919   7.7982   49.276   19.633   77.244   18.849 -27.96799 27.21640 
1 1 1  -26    7   24 f  207.444   6.3580  116.519   7.1256  117.070   10.190  115.991   9.9675  207.920   9.0700  206.968   8.9124 0.9524078 12.71601 
1 1 1  -26    7   25 o  533.611   7.2347  771.473   20.858  757.542   29.197  785.992   29.807  528.694   10.220  538.527   10.243 -9.832336 14.46949 
1 1 1  -26    7   26 o  108.655   10.618   32.420   6.1681   27.450   8.8234   37.171   8.6259  100.368   16.269  116.942   13.650 -16.57362 21.23685 
1 1 1  -26    7   27 o  331.332   8.1904  297.584   14.626  304.279   21.576  291.892   19.894  334.725   11.929  327.938   11.227 6.788025 16.38081 
1 1 1  -26    7   28 o  569.172   10.748  879.507   32.932  926.351   49.185  841.441   44.337  582.703   15.621  555.642   14.767 27.06128 21.49557 
1 1 1  -26    7   29 f  390.943   12.087  415.540   25.534   0.0000   0.0000  415.540   25.534  ?   ?   390.943   12.087      ?      ? 
1 1 1  -26    7   30 o  152.895   11.132   65.225   8.9841   55.721   13.597   72.590   11.969  142.578   17.649  163.213   13.571 -20.63535 22.26311 
1 1 1  -26    7   31 o  161.102   10.246   70.894   8.8740   70.721   13.225   71.036   11.969  160.835   15.217  161.369   13.726 -0.5348206 20.49248 
1 1 1  -26    7   32 o  290.137   5.7635  227.882   9.0248  237.022   13.171  219.791   12.391  295.598   8.2455  284.676   8.0550 10.92154 11.52700 
1 1 1  -26    7   33 o  251.520   5.8696  171.545   7.9665  174.119   11.611  169.255   10.950  253.277   8.4840  249.764   8.1135 3.513550 11.73913 
1 1 1  -26    7   34 o  282.590   5.7586  216.484   8.7758  198.074   12.215  236.126   12.617  270.150   8.3674  295.030   7.9140 -24.87955 11.51716 
1 1 1  -26    7   35 f  304.894   5.7196  252.371   9.4216  248.877   13.385  255.801   13.264  302.786   8.1810  307.002   7.9954 -4.216034 11.43919 
1 1 1  -26    7   36 o   45.459   13.230   2.0310   5.2240   0.8267   7.9608   2.9419   6.9231   45.131   19.047   45.787   18.366 -0.6562004 26.45946 
1 1 1  -26    7   37 o   60.146   14.014   9.7696   5.2934   8.7908   7.6787   10.656   7.3071   58.330   20.098   61.962   19.535 -3.631359 28.02768 
1 1 1  -26    7   38 o   51.287   13.763   4.5283   5.4770   9.1159   7.9457   0.3752   7.5601   59.271   20.443   43.303   18.431 15.96811 27.52501 
1 1 1  -26    7   39 o  132.167   8.1226   47.441   5.7549   50.861   8.8199   44.905   7.5942  136.203   11.984  128.132   10.968 8.071365 16.24525 
1 1 1  -26    7   40 o  315.241   5.8296  270.539   9.9261  271.809   14.264  269.347   13.822  315.925   8.3556  314.556   8.1315 1.368408 11.65920 
1 1 1  -26    7   41 o  138.768   7.8877   53.997   5.7842   43.993   8.5266   62.526   7.8727  126.324   12.491  151.212   9.6350 -24.88859 15.77536 
1 1 1  -26    7   42 o  252.803   5.8602  174.324   7.9970  174.376   11.577  174.277   11.059  252.783   8.4756  252.822   8.0952 -0.3810120E-01 11.72041 
1 1 1  -26    7   43 o  148.533   7.3973   60.037   5.9067   66.100   8.9241   55.309   7.8797  155.105   10.648  141.962   10.272 13.14259 14.79469 
1 1 1  -26    7   44 o  114.958   9.2003   36.656   5.6912   37.455   8.4810   36.002   7.6762  115.964   13.534  113.952   12.466 2.011696 18.40063 
1 1 1  -26    7   45 o  160.035   7.2956   70.798   6.2798   67.550   9.2006   73.631   8.5924  156.411   10.886  163.658   9.7160 -7.246445 14.59116 
1 1 1  -26    7   46 o   39.084   12.195  -2.7950   5.3178  -8.6509   7.8215   2.2388   7.2517   33.642   15.964   44.526   18.439 -10.88389 24.38949 
1 1 1  -26    7   47 o  229.984   6.1667  145.698   7.6210  141.135   11.285  149.523   10.333  226.440   9.2226  233.527   8.1888 -7.087143 12.33338 
1 1 1  -26    7   48 o   64.472   14.555   12.397   5.7436   10.859   8.6530   13.609   7.6794   61.778   21.332   67.165   19.807 -5.386528 29.10976 
1 1 1  -26    7   49 o  147.440   8.1010   60.675   6.4532   62.161   9.1685   59.217   9.0844  149.265   11.367  145.615   11.545 3.650406 16.20202 
1 1 1  -26    7   50 o  235.189   6.2108  152.940   7.8742  145.820   11.352  159.542   10.932  229.696   9.1460  240.681   8.4053 -10.98439 12.42168 
1 1 1  -26    7   51 o  122.058   9.4155   42.364   6.2044   44.776   8.8486   40.031   8.7019  125.601   13.037  118.515   13.588 7.086121 18.83092 
1 1 1  -26    7   52 o  211.833   6.5373  123.912   7.4647  130.181   11.036  118.625   10.135  216.651   9.4265  207.016   9.0603 9.635284 13.07468 
1 1 1  -26    7   53 o   71.253   14.579   16.403   6.0092   13.439   9.0936   18.700   8.0064   65.426   21.881   77.081   19.273 -11.65511 29.15857 
1 1 1  -26    7   54 o   86.424   13.817   23.731   6.3315   27.622   8.9164   19.773   8.9922   94.616   18.099   78.231   20.882 16.38466 27.63359 
1 1 1  -26    7   55 o  149.847   8.5542   64.833   6.8517   54.183   9.6388   75.711   9.7415  136.604   13.058  163.091   11.054 -26.48705 17.10832 
1 1 1  -26    7   56 f   32.340   16.276 -33.8513   12.908 -33.8513   12.908   0.0000   0.0000   32.340   16.276  ?   ?       ?      ? 
1 1 1  -26    7   58 o   80.827   18.874   26.440   10.319   14.331   13.849   41.554   15.472   62.226   25.597   99.429   27.744 -37.20255 37.74839 
1 1 1  -26    7   59 o  118.016   11.385   43.469   7.2112   39.849   10.433   46.779   9.9782  112.192   17.210  123.840   14.911 -11.64778 22.77097 
1 1 1  -26    7   60 o   47.144   13.909   1.1108   6.8849   13.602   9.6868 -11.6413   9.7874   60.312   22.359   33.977   16.550 26.33527 27.81753 
1 1 1  -26    8    1 o  478.261   10.002  614.081   25.578  657.207   39.646  583.333   33.477  492.441   14.899  464.080   13.349 28.36090 20.00465 
1 1 1  -26    8    2 o  294.680   8.7810  232.012   13.860  258.333   21.400  212.995   18.190  308.865   12.822  280.494   12.001 28.37024 17.56199 
1 1 1  -26    8    3 o  481.418   6.7204  626.973   17.481  615.763   24.674  638.270   24.770  477.093   9.5709  485.743   9.4368 -8.649353 13.44083 
1 1 1  -26    8    4 o  410.159   6.1483  455.144   13.622  447.726   19.411  462.342   19.122  406.858   8.8292  413.460   8.5588 -6.601196 12.29669 
1 1 1  -26    8    5 o  521.045   7.0876  734.365   19.952  715.002   28.001  754.334   28.436  514.066   10.080  528.025   9.9663 -13.95831 14.17523 
1 1 1  -26    8    6 o  635.293   8.2092  1091.15   28.163  1054.67   38.977  1130.99   40.738  624.203   11.556  646.383   11.663 -22.17932 16.41848 
1 1 1  -26    8    7 o  548.630   7.3565  813.638   21.782  830.364   31.737  798.745   29.949  553.938   10.603  543.321   10.201 10.61707 14.71301 
1 1 1  -26    8    8 o  197.817   6.4239  106.406   6.8230   99.845   10.041  112.033   9.2996  192.107   9.6730  203.527   8.4558 -11.41934 12.84781 
1 1 1  -26    8    9 o  746.720   9.3661  1509.20   37.774  1472.95   52.432  1548.32   54.467  737.417   13.158  756.023   13.332 -18.60602 18.73211 
1 1 1  -26    8   10 o  592.588   7.7801  950.567   24.912  940.480   35.243  960.640   35.218  589.440   11.065  595.736   10.940 -6.296326 15.56022 
1 1 1  -26    8   11 o  496.872   8.5183  681.739   21.812  622.748   35.973  716.036   27.429  479.348   13.888  514.395   9.8678 -35.04672 17.03657 
1 1 1  -26    8   12 o  298.923   7.3554  244.547   10.880  235.135   19.688  248.684   13.054  294.623   12.367  303.222   7.9669 -8.599426 14.71075 
1 1 1  -26    8   13 o  297.060   7.1413  236.122   10.949  229.908   13.518  247.973   18.669  291.518   8.5817  302.602   11.417 -11.08456 14.28266 
1 1 1  -26    8   14 o  549.183   9.0337  813.510   25.272  806.063   30.884  828.604   43.968  545.663   10.474  552.705   14.721 -7.041870 18.06745 
1 1 1  -26    8   15 o  650.628   8.3828  1146.37   29.469  1127.66   41.294  1165.79   42.066  645.221   11.844  656.035   11.866 -10.81427 16.76564 
1 1 1  -26    8   16 o  201.399   9.2252  109.760   10.040   0.0000   0.0000  109.760   10.040  ?   ?   201.399   9.2252      ?      ? 
1 1 1  -26    8   17 f  710.732   9.0229  1368.18   34.641  1338.71   48.219  1399.62   49.799  702.838   12.696  718.626   12.824 -15.78833 18.04576 
1 1 1  -26    8   18 o  374.293   6.0662  378.960   12.257  381.718   17.765  376.454   16.933  375.581   8.7533  373.005   8.4008 2.575989 12.13232 
1 1 1  -26    8   19 o  266.177   5.8355  191.874   8.3789  188.938   12.160  194.529   11.562  264.223   8.5169  268.131   7.9797 -3.907806 11.67100 
1 1 1  -26    8   20 f  301.016   5.7922  245.183   9.4166  246.556   13.553  243.901   13.093  301.823   8.3102  300.209   8.0708 1.614746 11.58432 
1 1 1  -26    8   21 o  133.710   8.4005   49.442   5.9469   41.801   8.8806   55.655   8.0074  124.099   13.243  143.322   10.339 -19.22357 16.80109 
1 1 1  -26    8   22 o  290.111   5.7959  227.656   9.0677  230.190   13.284  225.445   12.408  291.606   8.4304  288.615   7.9559 2.990845 11.59173 
1 1 1  -26    8   23 o  339.015   5.8978  311.130   10.803  303.622   15.226  318.740   15.328  334.891   8.4141  343.139   8.2668 -8.248535 11.79564 
1 1 1  -26    8   24 o  339.041   5.8787  311.152   10.766  298.687   15.111  324.001   15.342  332.138   8.4193  345.944   8.2069 -13.80646 11.75747 
1 1 1  -26    8   25 o  523.362   7.1800  742.531   20.305  734.706   28.628  750.452   28.804  520.584   10.177  526.141   10.131 -5.556763 14.36007 
1 1 1  -26    8   26 o  199.696   9.1078  107.899   9.7785  124.302   14.324   93.581   13.382  213.890   12.393  185.503   13.350 28.38704 18.21565 
1 1 1  -26    8   27 o  461.905   9.3557  580.471   23.341  581.982   33.546  579.054   32.497  462.440   13.424  461.370   13.035 1.069580 18.71149 
1 1 1  -26    8   28 o  264.716   8.3050  190.383   11.870  192.207   17.179  188.716   16.420  265.901   11.956  263.531   11.531 2.369263 16.61008 
1 1 1  -26    8   29 o   57.040   16.661   2.6902   8.3412   4.6239   12.268   1.0277   11.375   60.173   24.338   53.908   22.760 6.264904 33.32259 
1 1 1  -26    8   30 o  237.920   8.9347  153.987   11.415  155.923   17.175  152.455   15.277  239.156   13.290  236.684   11.945 2.471939 17.86941 
1 1 1  -26    8   31 f  371.647   7.4810  372.261   14.202  365.540   17.370  385.811   24.665  367.009   8.7587  376.285   12.131 -9.276093 14.96206 
1 1 1  -26    8   32 f  403.735   6.2476  441.858   13.604  453.839   19.973  431.491   18.579  408.784   9.0421  398.686   8.6238 10.09818 12.49525 
1 1 1  -26    8   33 o  286.594   5.8889  222.842   9.1048  224.037   13.280  221.783   12.507  287.284   8.5545  285.905   8.0957 1.379120 11.77790 
1 1 1  -26    8   34 o  349.074   5.9726  330.713   11.249  333.290   16.398  328.422   15.459  350.313   8.6628  347.834   8.2247 2.478729 11.94527 
1 1 1  -26    8   35 o  119.285   8.9410   38.407   5.7191   45.628   8.6307   32.755   7.6364  129.180   12.364  109.390   12.919 19.78941 17.88206 
1 1 1  -26    8   36 o   60.480   14.127   9.5184   5.4748   6.3946   7.5557   12.972   7.9439   53.387   19.756   67.573   20.198 -14.18624 28.25331 
1 1 1  -26    8   37 o  133.680   8.1047   48.910   5.8163   48.674   8.7245   49.098   7.8033  133.294   12.113  134.066   10.771 -0.7720947 16.20933 
1 1 1  -26    8   38 o  325.787   5.8976  288.604   10.362  291.430   15.171  286.134   14.187  327.215   8.5799  324.360   8.0941 2.855133 11.79528 
1 1 1  -26    8   39 o  241.209   5.9492  158.837   7.7281  152.202   11.254  164.756   10.631  236.340   8.8125  246.078   7.9946 -9.738098 11.89847 
1 1 1  -26    8   40 o  340.787   5.9355  316.204   10.893  320.905   16.133  312.265   14.768  343.000   8.7044  338.575   8.0717 4.424347 11.87096 
1 1 1  -26    8   41 o  251.370   5.8805  172.503   7.9768  162.517   11.294  182.441   11.268  244.033   8.5647  258.707   8.0602 -14.67375 11.76096 
1 1 1  -26    8   42 o  221.761   6.0088  133.017   7.1584  145.819   10.865  123.198   9.5155  231.045   8.7028  212.477   8.2876 18.56802 12.01766 
1 1 1  -26    8   43 o  234.598   6.1247  150.316   7.7476  153.026   11.376  147.971   10.581  236.490   8.9020  232.707   8.4144 3.783234 12.24939 
1 1 1  -26    8   44 o  138.587   7.9641   52.705   5.9088   55.806   9.0917   50.438   7.7747  141.922   11.855  135.252   10.638 6.669785 15.92824 
1 1 1  -26    8   45 o  223.604   6.1033  137.191   7.3471  134.758   10.812  139.279   10.015  221.612   9.0285  225.597   8.2152 -3.985214 12.20667 
1 1 1  -26    8   46 o  178.294   6.8218   87.506   6.5650   89.445   9.5509   85.770   9.0390  180.103   9.8138  176.484   9.4782 3.618622 13.64354 
1 1 1  -26    8   47 o  151.533   7.7271   63.218   6.2983   68.760   9.4776   58.835   8.4287  157.356   11.146  145.710   10.705 11.64651 15.45424 
1 1 1  -26    8   48 o  109.295   10.085   34.135   5.8948   29.351   8.4577   38.654   8.2203  101.344   15.444  117.247   12.975 -15.90266 20.17092 
1 1 1  -26    8   49 o  120.108   9.3501   40.938   6.0399   38.395   8.7801   43.223   8.3218  116.242   13.978  123.975   12.422 -7.733536 18.70017 
1 1 1  -26    8   50 o  135.910   8.5763   51.158   6.2042   65.208   9.3883   40.264   8.2666  152.533   11.390  119.287   12.825 33.24607 17.15262 
1 1 1  -26    8   51 o  311.808   6.1178  267.758   10.256  276.247   15.392  260.980   13.753  315.947   9.0154  307.669   8.2725 8.278290 12.23568 
1 1 1  -26    8   52 o   93.906   12.727   26.916   6.2759   22.710   9.0818   30.761   8.6826   84.991   20.092  102.821   15.627 -17.82976 25.45363 
1 1 1  -26    8   53 o   41.553   12.500  -3.6166   5.8145 -15.9799   8.4745   7.3804   7.9926   29.959   14.757   53.147   20.180 -23.18790 25.00000 
1 1 1  -26    8   54 o   54.050   14.441   7.8563   5.9148   4.5119   8.8696   10.535   7.9374   49.415   20.422   58.685   20.422 -9.269466 28.88109 
1 1 1  -26    8   55 o   89.040   13.922   25.275   6.5078   31.548   9.9345   20.560   8.6132   99.128   19.240   78.952   20.128 20.17617 27.84472 
1 1 1  -26    8   58 f  113.759   14.837   46.853   8.2231   40.158   13.994   50.384   10.163   99.940   25.753  127.579   14.742 -27.63950 29.67347 
1 1 1  -26    8   59 o   70.055   15.950   18.014   6.8817   19.726   9.8230   16.364   9.6437   73.200   22.582   66.910   22.532 6.290138 31.90008 
1 1 1  -26    8   60 o   46.034   13.983   2.0558   6.7966  -6.7297   9.5330   11.138   9.6927   36.349   17.354   55.718   21.931 -19.36950 27.96652 
1 1 1  -26    9    1 o  656.020   12.154  1166.91   43.059  1122.30   59.688  1215.31   62.179  642.964   17.180  669.076   17.198 -26.11127 24.30865 
1 1 1  -26    9    2 o  427.047   7.8978  483.001   16.934  465.746   20.297  522.523   30.718  414.916   9.0529  439.178   12.944 -24.26178 15.79554 
1 1 1  -26    9    3 o  259.084   5.8435  182.220   8.1327  174.686   12.030  188.561   11.037  254.117   8.7610  264.052   7.7350 -9.935181 11.68699 
1 1 1  -26    9    4 o  440.797   6.4672  525.335   15.382  531.700   22.427  519.681   21.136  443.302   9.3623  438.291   8.9244 5.010620 12.93433 
1 1 1  -26    9    5 o  505.686   9.7358  691.966   26.604   0.0000   0.0000  691.966   26.604  ?   ?   505.686   9.7358      ?      ? 
1 1 1  -26    9    6 o  685.735   8.7576  1272.25   32.431  1232.66   44.912  1315.40   46.880  674.608   12.320  696.862   12.450 -22.25482 17.51519 
1 1 1  -26    9    7 o  467.012   6.6811  590.252   16.852  586.788   24.183  593.521   23.496  465.668   9.6103  468.356   9.2838 -2.688385 13.36214 
1 1 1  -26    9    8 o  203.410   6.4833  111.390   7.0731  116.372   10.773  107.616   9.3771  207.373   9.6140  199.447   8.7007 7.926239 12.96657 
1 1 1  -26    9    9 o  520.640   7.1160  733.790   20.017  723.796   28.420  743.628   28.197  517.112   10.171  524.168   9.9551 -7.056335 14.23192 
1 1 1  -26    9   10 f  629.093   8.1796  1071.53   27.802  1048.78   38.955  1095.14   39.690  622.288   11.585  635.897   11.551 -13.60956 16.35928 
1 1 1  -26    9   11 o  350.411   5.9324  331.483   11.202  341.036   16.565  323.434   15.205  355.040   8.6344  345.783   8.1377 9.257721 11.86489 
1 1 1  -26    9   12 o  613.255   9.9187  1023.77   30.796  1008.11   53.765  1031.42   37.570  609.363   16.328  617.147   11.266 -7.784058 19.83746 
1 1 1  -26    9   13 o  447.705   9.1179  542.368   22.058   0.0000   0.0000  542.368   22.058  ?   ?   447.705   9.1179      ?      ? 
1 1 1  -26    9   14 o  688.144   10.802  1282.28   37.841  1277.07   46.275  1292.79   65.746  686.529   12.474  689.760   17.639 -3.230957 21.60415 
1 1 1  -26    9   15 o  595.428   7.8855  957.805   25.336  916.205   34.720  1005.18   37.053  581.647   11.047  609.209   11.256 -27.56219 15.77097 
1 1 1  -26    9   16 o  735.832   9.2986  1467.62   36.966  1440.65   51.692  1495.85   52.884  728.921   13.124  742.743   13.176 -13.82202 18.59711 
1 1 1  -26    9   17 o  523.499   7.1716  742.266   20.283  737.150   28.912  747.223   28.463  521.709   10.256  525.289   10.027 -3.580322 14.34320 
1 1 1  -26    9   18 o  249.675   6.0691  168.837   8.1652  167.311   11.977  170.162   11.161  248.602   8.9154  250.748   8.2372 -2.145264 12.13821 
1 1 1  -26    9   19 o  133.502   8.6613   48.347   6.2218   48.288   9.2300   48.396   8.4231  133.403   12.804  133.600   11.667 -0.1971130 17.32265 
1 1 1  -26    9   20 o  174.078   6.9155   81.638   6.4841   87.622   9.6571   76.725   8.7496  179.848   9.9369  168.307   9.6205 11.54100 13.83100 
1 1 1  -26    9   21 o  128.866   8.8889   45.283   6.1407   43.109   9.1531   47.062   8.2808  126.000   13.443  131.732   11.633 -5.732323 17.77789 
1 1 1  -26    9   22 o  272.099   5.8712  200.793   8.6084  195.033   12.548  205.914   11.832  268.382   8.6525  275.815   7.9385 -7.432556 11.74245 
1 1 1  -26    9   23 o  324.062   5.8815  283.983   10.276  289.468   15.113  279.267   14.013  326.948   8.5540  321.175   8.0743 5.773254 11.76293 
1 1 1  -26    9   24 o  330.289   7.1915  294.594   12.367  291.385   15.494  300.225   20.527  327.973   8.7428  332.604   11.421 -4.631470 14.38309 
1 1 1  -26    9   25 o  235.145   8.3234  150.116   10.574  153.401   15.134  146.982   14.780  237.656   11.784  232.634   11.758 5.022659 16.64687 
1 1 1  -26    9   26 o  212.311   8.9154  122.863   10.203  117.005   14.715  128.288   14.160  207.367   13.132  217.255   12.062 -9.888474 17.83071 
1 1 1  -26    9   27 o  261.335   7.2819  183.448   9.5424  190.563   17.187  180.278   11.473  264.741   12.014  257.928   8.2318 6.813049 14.56390 
1 1 1  -26    9   28 o   41.956   13.899  -7.2468   6.4394  -9.5856   13.816  -6.5978   7.2782   49.406   22.687   34.506   16.062 14.90009 27.79719 
1 1 1  -26    9   29 o  194.997   9.7936  104.358   10.250   96.959   15.046  110.766   14.002  188.377   14.781  201.618   12.853 -13.24017 19.58716 
1 1 1  -26    9   30 o  292.097   8.5487  232.977   13.450  225.450   19.629  239.640   18.467  287.526   12.634  296.668   11.520 -9.141510 17.09739 
1 1 1  -26    9   31 o  254.390   6.0668  175.343   8.3224  180.488   12.236  170.913   11.353  257.828   8.7823  250.952   8.3722 6.875992 12.13352 
1 1 1  -26    9   32 o  215.462   6.3305  126.244   7.3583  122.441   10.614  129.762   10.210  212.296   9.2524  218.628   8.6425 -6.331604 12.66092 
1 1 1  -26    9   33 o  241.400   5.9484  158.363   7.7354  156.222   11.352  160.219   10.569  239.826   8.7599  242.974   8.0495 -3.147720 11.89672 
1 1 1  -26    9   34 o   49.941   13.541   3.5993   5.5017  -2.0707   7.9133   8.9041   7.6543   41.208   18.180   58.675   20.072 -17.46714 27.08178 
1 1 1  -26    9   35 o  173.573   6.9132   82.932   6.4153   72.015   9.3123   92.793   8.8504  162.460   10.608  184.686   8.8683 -22.22614 13.82647 
1 1 1  -26    9   36 o  217.140   6.2410  127.790   7.2999  134.930   10.856  121.896   9.8628  222.617   9.0243  211.663   8.6232 10.95494 12.48193 
1 1 1  -26    9   37 o  204.219   6.3903  113.101   7.0289  119.579   10.464  107.774   9.4882  209.486   9.2440  198.951   8.8257 10.53464 12.78062 
1 1 1  -26    9   38 o  356.670   6.0559  346.593   11.662  341.843   16.771  351.040   16.228  354.238   8.7614  359.103   8.3627 -4.864624 12.11184 
1 1 1  -26    9   39 o  167.369   7.1690   76.999   6.4329   73.388   9.5836   79.960   8.6785  163.632   10.839  171.107   9.3862 -7.474670 14.33792 
1 1 1  -26    9   40 o  138.123   7.8070   52.219   5.7710   53.655   8.8421   51.154   7.6171  139.629   11.719  136.617   10.318 3.012497 15.61401 
1 1 1  -26    9   41 o  147.148   7.6332   59.588   6.0473   58.046   8.8707   60.928   8.2658  145.249   11.302  149.047   10.263 -3.798279 15.26648 
1 1 1  -26    9   42 o  145.139   7.8847   57.623   6.1466   61.477   9.3204   54.657   8.1767  149.303   11.552  140.974   10.734 8.329010 15.76937 
1 1 1  -26    9   43 o  123.739   9.0913   42.359   6.0575   45.135   9.0386   40.095   8.1617  127.324   13.137  120.154   12.571 7.170441 18.18254 
1 1 1  -26    9   44 o  351.509   6.0136  338.633   11.412  324.707   16.218  352.292   16.062  344.225   8.7188  358.794   8.2846 -14.56857 12.02717 
1 1 1  -26    9   45 o   48.190   13.766   3.6397   5.5126   5.0236   8.3314   2.5621   7.3520   51.175   20.272   45.205   18.629 5.970284 27.53200 
1 1 1  -26    9   46 o  169.905   7.1766   80.077   6.5629   74.285   9.4549   85.463   9.1170  163.747   10.686  176.062   9.5829 -12.31543 14.35314 
1 1 1  -26    9   47 o   50.522   14.061   5.1191   5.6447   4.0044   7.8417   6.3179   8.1317   48.327   19.490   52.716   20.274 -4.388176 28.12241 
1 1 1  -26    9   48 o  123.943   9.2450   44.327   6.0312   35.539   8.9017   51.786   8.2003  111.601   14.761  136.286   11.135 -24.68507 18.48992 
1 1 1  -26    9   49 o   48.663   13.681   4.4741   5.5102   1.2697   8.2414   7.0646   7.4099   44.766   19.153   52.560   19.541 -7.794132 27.36243 
1 1 1  -26    9   50 o  147.637   8.3418   61.202   6.6448   63.775   9.7297   58.953   9.0967  150.453   11.968  144.821   11.624 5.632050 16.68368 
1 1 1  -26    9   51 o   57.748   13.654   7.1720   5.8171   17.984   8.6812  -1.6385   7.8367   75.503   20.672   39.992   17.842 35.51150 27.30708 
1 1 1  -26    9   52 o   69.681   14.724   15.558   5.9488   14.769   9.1789   16.129   7.8113   67.981   21.944   71.380   19.637 -3.399101 29.44726 
1 1 1  -26    9   53 o  139.170   8.9247   55.197   6.6974   57.271   9.8585   53.420   9.1270  141.423   12.900  136.916   12.336 4.506561 17.84944 
1 1 1  -26    9   54 o   83.439   14.599   23.329   6.5512   20.872   9.9167   25.232   8.7265   78.084   22.361   88.793   18.774 -10.70910 29.19751 
1 1 1  -26    9   55 o   53.479   24.141   0.3903   14.820   0.3903   14.820   0.0000   0.0000   53.479   24.141  ?   ?       ?      ? 
1 1 1  -26    9   57 o   58.797   17.653   10.448   9.9667   4.2230   13.809   17.216   14.400   52.077   23.425   65.517   26.415 -13.44011 35.30508 
1 1 1  -26    9   58 o   50.545   14.212   4.4156   6.7780  -7.3080   10.106   14.001   9.1380   38.124   18.106   62.966   21.912 -24.84212 28.42473 
1 1 1  -26    9   59 o   64.082   15.730   15.461   6.7777   19.257   9.7256   11.878   9.4506   70.634   22.566   57.529   21.920 13.10458 31.45944 
1 1 1  -26   10    1 o  734.331   11.427  1466.68   42.967  1472.77   52.971  1454.95   73.468  737.125   13.299  731.536   18.586 5.588135 22.85347 
1 1 1  -26   10    2 f  335.325   5.9186  304.550   10.701  298.048   15.558  310.389   14.743  331.908   8.6743  338.742   8.0545 -6.834045 11.83721 
1 1 1  -26   10    3 o  187.783   6.6172   94.391   6.6627  103.580   10.222   87.604   8.7851  195.632   9.6701  179.933   9.0354 15.69882 13.23437 
1 1 1  -26   10    4 f  547.492   7.3963  811.521   21.879  794.822   30.904  828.301   30.978  541.835   10.555  553.148   10.364 -11.31366 14.79269 
1 1 1  -26   10    5 o  662.643   8.5311  1189.55   30.546  1176.83   43.221  1202.24   43.175  659.094   12.136  666.192   11.994 -7.098145 17.06221 
1 1 1  -26   10    6 o  314.027   5.9274  267.168   10.035  260.272   14.589  273.359   13.825  310.160   8.7046  317.894   8.0479 -7.733917 11.85490 
1 1 1  -26   10    7 o  191.581   6.6321   98.530   6.8001  104.854   10.490   93.946   8.9308  196.825   9.8626  186.338   8.8696 10.48747 13.26423 
1 1 1  -26   10    8 o  421.430   6.3791  480.400   14.519  458.085   20.342  503.570   20.728  411.449   9.1493  431.411   8.8916 -19.96207 12.75813 
1 1 1  -26   10    9 o  400.680   6.2474  434.557   13.521  422.678   19.204  446.234   19.039  395.238   8.9918  406.122   8.6757 -10.88467 12.49478 
1 1 1  -26   10   10 o  246.551   6.1033  164.247   8.1017  166.894   12.023  162.046   10.965  248.356   8.9590  244.747   8.2908 3.608658 12.20658 
1 1 1  -26   10   11 o  387.801   8.5206  406.877   17.855   0.0000   0.0000  406.877   17.855  ?   ?   387.801   8.5206      ?      ? 
1 1 1  -26   10   12 o  349.630   6.0097  330.841   11.336  307.245   15.923  355.092   16.143  336.971   8.7446  362.290   8.2459 -25.31873 12.01932 
1 1 1  -26   10   13 o  157.240   19.075   67.297   16.208   67.297   16.208   0.0000   0.0000  157.240   19.075  ?   ?       ?      ? 
1 1 1  -26   10   14 o  178.686   7.2797   87.306   6.9603   77.628   10.186   95.783   9.5330  169.271   11.136  188.101   9.3788 -18.82996 14.55941 
1 1 1  -26   10   15 o  550.977   9.1584  813.930   25.533  796.797   30.918  850.676   45.279  542.335   10.550  559.619   14.973 -17.28345 18.31670 
1 1 1  -26   10   16 o  174.407   7.3162   83.219   6.8127   75.976   10.179   89.095   9.1689  167.423   11.252  181.392   9.3544 -13.96890 14.63231 
1 1 1  -26   10   17 o  149.107   7.9684   60.112   6.3851   61.720   9.5982   58.835   8.5519  150.868   11.773  147.345   10.741 3.523499 15.93675 
1 1 1  -26   10   18 o  162.049   7.5224   71.591   6.5180   67.901   9.8131   74.504   8.7192  158.250   11.476  165.848   9.7292 -7.597839 15.04479 
1 1 1  -26   10   19 o  409.062   6.3013  453.008   13.918  455.228   20.102  450.965   19.289  410.007   9.0731  408.116   8.7467 1.891327 12.60265 
1 1 1  -26   10   20 o  385.736   6.2171  403.096   12.950  386.682   18.328  419.462   18.301  377.873   8.9760  393.600   8.6047 -15.72757 12.43422 
1 1 1  -26   10   21 o  270.998   8.1126  198.820   11.880   0.0000   0.0000  198.820   11.880  ?   ?   270.998   8.1126      ?      ? 
1 1 1  -26   10   22 o   58.393   12.641   2.8953   5.8849   20.018   8.8251 -10.8157   7.8971   83.883   19.790   32.903   15.732 50.97958 25.28130 
1 1 1  -26   10   23 o  114.690   13.390   37.084   7.9341   33.468   12.117   39.797   10.497  108.580   21.413  120.799   16.082 -12.21905 26.77919 
1 1 1  -26   10   24 o  251.860   8.4460  172.583   11.442  152.005   16.029  193.964   16.338  236.458   12.544  267.262   11.313 -30.80380 16.89201 
1 1 1  -26   10   25 o  230.901   8.6165  145.392   10.708  131.149   15.197  159.437   15.091  219.560   12.809  242.242   11.529 -22.68217 17.23305 
1 1 1  -26   10   26 o  157.088   9.3132   64.360   7.4288   75.450   13.392   59.430   8.9286  166.281   14.904  147.896   11.172 18.38480 18.62644 
1 1 1  -26   10   27 o  201.947   6.7476  111.267   7.2801  106.385   11.024  115.044   9.6950  197.923   10.307  205.971   8.7107 -8.048004 13.49510 
1 1 1  -26   10   28 o   82.130   18.165   18.232   8.7423   21.716   14.295   16.151   11.049   87.861   27.264   76.400   24.013 11.46139 36.33076 
1 1 1  -26   10   29 o  103.528   15.765   32.433   8.5221   22.171   13.739   38.851   10.865   88.161   26.610  118.895   16.912 -30.73417 31.52915 
1 1 1  -26   10   30 o   62.865   13.820   9.5600   6.0752  -0.8416   8.9572   18.421   8.2674   45.670   19.758   80.059   19.330 -34.38938 27.64053 
1 1 1  -26   10   31 o  335.868   5.9770  306.686   10.829  294.108   15.554  318.519   15.087  329.120   8.7459  342.617   8.1490 -13.49734 11.95395 
1 1 1  -26   10   32 o   93.652   11.882   24.201   5.7908   32.677   8.7374   17.562   7.7332  109.140   14.815   78.164   18.582 30.97605 23.76488 
1 1 1  -26   10   33 o  217.823   6.3997  129.066   7.5136  128.344   11.008  129.696   10.281  217.201   9.3786  218.445   8.7100 -1.244400 12.79934 
1 1 1  -26   10   34 o  332.386   5.9980  299.685   10.749  310.447   15.844  290.509   14.630  337.852   8.6787  326.919   8.2817 10.93283 11.99607 
1 1 1  -26   10   35 o  235.146   6.1035  151.038   7.7164  143.240   11.312  157.824   10.553  229.350   9.1277  240.941   8.1052 -11.59195 12.20691 
1 1 1  -26   10   36 o   42.156   12.959  -0.8684   5.4901  -1.8683   8.2286  -0.0662   7.3705   42.173   18.576   42.139   18.073 0.3405380E-01 25.91739 
1 1 1  -26   10   37 o  194.567   6.6082  102.897   6.9111  106.468   10.390  100.063   9.2554  197.508   9.7354  191.626   8.9383 5.881958 13.21635 
1 1 1  -26   10   38 o  255.608   6.0351  177.248   8.2561  184.037   12.678  172.248   10.879  259.703   9.0338  251.513   8.0049 8.189636 12.07011 
1 1 1  -26   10   39 o  213.598   6.3545  126.113   7.2361  112.418   10.766  137.397   9.7726  202.667   9.8307  224.529   8.0547 -21.86214 12.70907 
1 1 1  -26   10   40 o  212.720   9.4580  123.813   10.872  123.813   10.872   0.0000   0.0000  212.720   9.4580  ?   ?       ?      ? 
1 1 1  -26   10   41 o  227.885   6.1697  140.590   7.4873  149.735   11.773  134.379   9.7021  233.864   9.3163  221.906   8.0911 11.95792 12.33935 
1 1 1  -26   10   42 o  101.106   10.689   28.806   5.7989   27.795   8.6300   29.638   7.8302   99.226   16.095  102.987   14.070 -3.760643 21.37819 
1 1 1  -26   10   43 o  309.261   5.9995  261.811   10.003  262.742   14.660  261.000   13.683  309.640   8.7619  308.882   8.1979 0.7574158 11.99900 
1 1 1  -26   10   44 o   46.511   13.077   1.2075   5.3351   9.0251   8.0890  -4.8116   7.0978   58.029   20.582   34.993   16.139 23.03578 26.15494 
1 1 1  -26   10   45 o  154.214   7.6661   65.746   6.3506   67.537   9.5646   64.333   8.4927  155.899   11.354  152.528   10.304 3.370544 15.33230 
1 1 1  -26   10   46 o  239.240   6.2741  157.427   8.0660  157.402   12.052  157.447   10.856  238.999   9.3318  239.482   8.3889 -0.4833679 12.54810 
1 1 1  -26   10   47 o  132.158   8.5980   48.653   6.0804   51.006   9.3543   46.932   8.0013  134.627   12.859  129.688   11.418 4.939590 17.19598 
1 1 1  -26   10   48 o   54.391   14.172   6.9106   5.7676   11.985   8.2824   2.1330   8.0364   63.227   20.872   45.555   19.177 17.67202 28.34373 
1 1 1  -26   10   49 o  187.079   7.1042   97.419   7.1282   97.026   10.735   97.729   9.5334  186.402   10.657  187.755   9.3965 -1.353027 14.20831 
1 1 1  -26   10   50 o   45.274   13.479   1.4899   5.6089   5.3225   8.7144  -1.2207   7.3286   51.343   20.602   39.205   17.386 12.13834 26.95778 
1 1 1  -26   10   51 o  171.005   7.5249   82.587   6.8945   74.380   10.054   89.872   9.4727  162.435   11.454  179.576   9.7620 -17.14127 15.04978 
1 1 1  -26   10   52 o   66.333   14.387   12.419   6.1093   22.356   9.3799   5.0969   8.0513   83.317   20.877   49.349   19.802 33.96762 28.77448 
1 1 1  -26   10   53 o   41.112   12.819  -2.2759   6.0153 -10.6110   8.9674   4.5428   8.1108   34.231   16.471   47.993   19.648 -13.76163 25.63827 
1 1 1  -26   10   54 o  118.551   15.258   48.414   8.3712   39.865   15.447   51.968   9.9606  103.873   27.200  133.229   13.836 -29.35623 30.51635 
1 1 1  -26   10   57 o   47.147   15.080   1.7047   8.0079  -2.7815   14.344   3.7362   9.6522   47.364   22.210   46.931   20.406 0.4326248 30.16101 
1 1 1  -26   10   58 o   44.324   13.993   0.7403   6.8628   3.8855   9.9817  -2.0793   9.4511   47.829   20.774   40.819   18.751 7.010532 27.98546 
1 1 1  -26   11    1 o  168.612   7.1667   77.096   6.4691   75.983   9.8042   77.954   8.6091  167.509   10.831  169.715   9.3875 -2.206039 14.33333 
1 1 1  -26   11    2 o  103.371   10.591   29.140   5.8266   28.113   8.9722   29.888   7.6621  101.748   16.319  104.994   13.505 -3.246193 21.18231 
1 1 1  -26   11    3 o  701.959   8.9734  1331.80   33.983  1273.60   46.473  1398.68   49.819  685.547   12.545  718.371   12.834 -32.82367 17.94687 
1 1 1  -26   11    4 o  585.736   7.8023  929.152   24.693  913.132   34.885  945.237   34.956  580.665   11.118  590.806   10.949 -10.14063 15.60451 
1 1 1  -26   11    5 o  182.473   6.8666   88.960   6.7010   98.035   10.414   82.546   8.7541  190.298   10.127  174.647   9.2761 15.65129 13.73328 
1 1 1  -26   11    6 o  339.993   5.9497  312.789   10.900  312.236   16.025  313.265   14.869  339.696   8.7300  340.291   8.0861 -0.5952759 11.89945 
1 1 1  -26   11    7 o  214.036   9.4401  123.994   10.918  123.994   10.918   0.0000   0.0000  214.036   9.4401  ?   ?       ?      ? 
1 1 1  -26   11    9 o  407.521   6.3242  449.576   13.913  424.143   19.579  475.516   19.773  395.860   9.1531  419.181   8.7296 -23.32181 12.64848 
1 1 1  -26   11   10 o  204.703   6.5971  113.145   7.2636  116.341   10.870  110.566   9.7637  207.292   9.7038  202.114   8.9398 5.178085 13.19410 
1 1 1  -26   11   11 o  190.866   6.7907   98.060   6.9084  102.068   10.784   95.271   8.9968  194.123   10.281  187.608   8.8746 6.515213 13.58130 
1 1 1  -26   11   12 o   69.183   13.734   13.407   5.9100   4.2339   8.9561   20.482   7.8657   53.176   21.033   85.191   17.666 -32.01522 27.46803 
1 1 1  -26   11   13 o   46.438   13.744   0.8060   5.8696  -3.8406   9.4629   3.7116   7.4830   43.937   19.604   48.940   19.268 -5.003101 27.48723 
1 1 1  -26   11   14 o  373.562   7.8750  365.898   14.040  404.730   27.891  352.720   16.249  386.137   13.367  360.987   8.3298 25.14923 15.75009 
1 1 1  -26   11   15 o  241.192   6.3248  156.999   8.1935  162.000   12.365  153.085   10.940  244.581   9.3558  237.803   8.5136 6.777695 12.64963 
1 1 1  -26   11   16 o  239.326   7.7610  156.686   9.6311  160.537   12.112  150.068   15.882  243.477   9.2063  235.176   12.497 8.300735 15.52209 
1 1 1  -26   11   17 o  296.065   5.9769  237.518   9.5406  233.850   13.908  240.777   13.112  293.882   8.7579  298.247   8.1360 -4.364899 11.95386 
1 1 1  -26   11   18 o  252.395   6.1029  171.583   8.2811  181.091   12.477  164.097   11.071  258.592   8.9292  246.197   8.3219 12.39482 12.20589 
1 1 1  -26   11   19 o  300.690   6.0508  243.983   9.7768  252.602   14.726  237.189   13.074  305.393   8.9235  295.987   8.1743 9.405487 12.10157 
1 1 1  -26   11   20 o  171.692   7.3896   80.397   6.7804   76.491   10.240   83.448   9.0484  167.905   11.286  175.480   9.5424 -7.574997 14.77929 
1 1 1  -26   11   21 o  237.081   11.692  152.613   14.979   0.0000   0.0000  152.613   14.979  ?   ?   237.081   11.692      ?      ? 
1 1 1  -26   11   22 o  166.113   10.062   74.697   9.0035   81.194   13.383   69.324   12.169  172.663   14.343  159.564   14.114 13.09865 20.12308 
1 1 1  -26   11   23 o  182.250   9.6101   90.810   9.4229   84.482   13.647   96.577   13.027  176.077   14.343  188.423   12.795 -12.34569 19.22020 
1 1 1  -26   11   24 o  251.508   8.2684  171.701   11.225  176.734   16.343  167.207   15.443  254.971   11.862  248.046   11.522 6.924210 16.53673 
1 1 1  -26   11   25 o  183.299   7.1170   92.412   6.9095   84.322   10.617   98.357   9.1005  176.148   11.154  190.449   8.8430 -14.30045 14.23405 
1 1 1  -26   11   26 o   91.474   12.998   24.396   6.1897   18.188   9.4365   29.085   8.2003   79.758   21.435  103.190   14.706 -23.43194 25.99512 
1 1 1  -26   11   27 o  311.792   8.5941  262.179   14.290  280.856   22.380  249.324   18.567  320.907   12.906  302.677   11.352 18.23083 17.18826 
1 1 1  -26   11   28 o  140.197   13.125   53.953   9.6350   55.450   15.785   53.063   12.164  141.387   20.661  139.008   16.194 2.379166 26.25085 
1 1 1  -26   11   29 o  103.174   13.724   27.320   7.2863   16.808   9.0764   46.374   12.219   76.594   21.206  129.755   17.428 -53.16158 27.44843 
1 1 1  -26   11   30 o  245.862   6.1389  164.050   8.0627  164.656   12.382  163.605   10.624  246.165   9.3083  245.559   8.0062 0.6057281 12.27783 
1 1 1  -26   11   31 o  142.923   8.1242   56.452   6.1612   51.134   9.3827   60.484   8.1694  136.778   12.695  149.068   10.142 -12.29048 16.24850 
1 1 1  -26   11   32 o  264.009   6.0892  189.711   8.6369  186.919   12.873  191.997   11.647  262.151   9.0877  265.868   8.1073 -3.717102 12.17841 
1 1 1  -26   11   33 o  201.695   6.6389  111.938   7.1465  101.526   10.663  120.428   9.6292  192.943   10.227  210.447   8.4676 -17.50356 13.27779 
1 1 1  -26   11   34 f  177.969   7.0221   86.657   6.6935   84.136   10.077   88.648   8.9543  175.525   10.624  180.412   9.1849 -4.887238 14.04418 
1 1 1  -26   11   35 o  400.399   6.3080  436.524   13.643  420.279   19.151  453.263   19.441  392.800   9.0226  407.997   8.8179 -15.19687 12.61595 
1 1 1  -26   11   36 o   97.043   11.312   26.251   5.6847   27.836   9.0546   25.219   7.3035   98.501   17.660   95.586   14.140 2.915512 22.62344 
1 1 1  -26   11   37 o   82.187   12.412   21.906   5.6543   7.3501   8.9035   31.745   7.3199   57.023   21.377  107.351   12.619 -50.32793 24.82342 
1 1 1  -26   11   38 o  160.377   7.2650   70.659   6.2290   69.206   9.4713   71.766   8.2688  158.747   11.041  162.008   9.4454 -3.260895 14.53008 
1 1 1  -26   11   39 o   58.286   13.727   8.1132   5.3335   14.564   8.1134   3.2040   7.0778   70.441   20.242   46.130   18.547 24.31052 27.45387 
1 1 1  -26   11   40 o  214.754   6.2694  126.086   7.2063  126.229   10.972  125.977   9.5566  214.686   9.4577  214.823   8.2326 -0.1368713 12.53888 
1 1 1  -26   11   41 o  142.251   8.2600   54.050   6.2372   69.932   9.8797   43.526   8.0424  159.086   11.493  125.415   11.867 33.67073 16.52009 
1 1 1  -26   11   42 o  114.503   9.6383   36.739   5.9173   35.813   8.8672   37.482   7.9452  112.939   14.530  116.066   12.668 -3.127563 19.27661 
1 1 1  -26   11   43 o  167.993   7.3217   76.739   6.5977   89.680   10.037   66.891   8.7551  180.302   10.302  155.684   10.407 24.61752 14.64346 
1 1 1  -26   11   44 o  110.174   10.268   34.137   6.0967   37.580   8.9827   31.197   8.3016  115.334   14.413  105.015   14.629 10.31902 20.53680 
1 1 1  -26   11   45 o   52.488   14.043   6.1564   5.6688   2.0237   8.4746   9.5029   7.6261   46.758   19.688   58.219   20.031 -11.46063 28.08661 
1 1 1  -26   11   46 f  189.000   6.8922   98.362   6.9911  102.329   10.603   95.310   9.2986  192.145   10.212  185.855   9.2587 6.289108 13.78447 
1 1 1  -26   11   47 f  120.336   9.6220   40.932   6.2010   42.108   9.4675   40.048   8.2061  121.495   14.421  119.178   12.742 2.316772 19.24403 
1 1 1  -26   11   48 o  148.141   8.3409   61.422   6.6124   63.670   10.146   59.763   8.7181  150.127   12.507  146.154   11.039 3.973343 16.68177 
1 1 1  -26   11   49 o  103.462   11.127   30.572   6.1713   35.293   9.4714   27.089   8.1353  110.219   15.903   96.705   15.568 13.51410 22.25451 
1 1 1  -26   11   50 o  120.895   9.7756   40.802   6.3029   50.212   9.8661   34.313   8.1925  132.383   13.792  109.407   13.858 22.97622 19.55119 
1 1 1  -26   11   51 o   90.767   13.334   25.500   6.2818   27.355   9.5784   24.100   8.3214   93.219   19.635   88.315   18.047 4.904335 26.66870 
1 1 1  -26   11   52 o   59.063   15.087   10.376   6.1234   11.598   9.3794   9.4690   8.0838   61.408   22.122   56.719   20.522 4.689049 30.17473 
1 1 1  -26   11   53 o   46.540   13.105  -2.1621   6.4333 -19.7228   9.4587   12.954   8.7757   30.196   15.001   62.884   21.493 -32.68842 26.20989 
1 1 1  -26   11   54 o   58.858   26.657   1.9554   18.244   1.9554   18.244   0.0000   0.0000   58.858   26.657  ?   ?       ?      ? 
1 1 1  -26   11   56 f   99.407   18.313   39.427   10.302   56.216   15.725   26.802   13.636  120.482   24.973   78.332   26.791 42.15000 36.62541 
1 1 1  -26   11   57 o  163.880   8.6737   78.411   7.6275   82.766   11.595   75.090   10.127  167.252   12.830  160.508   11.676 6.743561 17.34744 
1 1 1  -26   11   58 o  103.202   13.431   35.154   7.1822   58.135   11.259   19.385   9.3263  135.446   15.383   70.957   22.022 64.48909 26.86247 
1 1 1  -26   12    1 o   92.699   11.692   23.889   5.6564   23.000   8.6029   24.565   7.5073   90.298   18.259   95.101   14.609 -4.802765 23.38356 
1 1 1  -26   12    2 o  323.272   5.9926  282.060   10.418  290.711   15.609  275.109   13.991  327.707   8.8148  318.838   8.1206 8.868652 11.98518 
1 1 1  -26   12    3 o  456.349   6.6989  563.794   16.512  540.896   23.175  587.402   23.532  446.927   9.5961  465.770   9.3498 -18.84387 13.39787 
1 1 1  -26   12    4 o  148.425   8.1455   60.504   6.3884   55.555   9.9093   64.024   8.3568  143.104   12.814  153.745   10.059 -10.64035 16.29091 
1 1 1  -26   12    5 o  270.546   5.9960  198.442   8.7293  194.274   12.873  201.990   11.877  267.888   8.8927  273.204   8.0453 -5.316559 11.99197 
1 1 1  -26   12    6 o  196.486   6.8203  104.847   7.1577  102.543   10.924  106.580   9.4747  194.552   10.391  198.420   8.8367 -3.867279 13.64065 
1 1 1  -26   12    7 o  219.275   6.3860  129.427   7.5054  135.846   11.476  124.629   9.9212  223.975   9.4821  214.574   8.5566 9.400940 12.77204 
1 1 1  -26   12    8 o   56.627   14.736   6.9634   5.9376   5.4983   8.9799   8.1015   7.9147   55.242   21.288   58.012   20.381 -2.769508 29.47145 
1 1 1  -26   12    9 o  349.009   6.1374  330.364   11.550  307.990   16.426  352.246   16.244  337.272   9.0129  360.746   8.3331 -23.47354 12.27488 
1 1 1  -26   12   10 o  434.888   6.6267  512.670   15.557  496.221   22.260  528.374   21.750  428.036   9.6240  441.741   9.1120 -13.70526 13.25331 
1 1 1  -26   12   11 o  459.817   6.7146  572.835   16.677  557.377   23.669  588.077   23.503  453.635   9.6556  465.999   9.3335 -12.36356 13.42929 
1 1 1  -26   12   12 o  134.199   8.9764   49.240   6.4228   46.356   9.7522   51.449   8.5353  130.649   13.814  137.750   11.467 -7.100525 17.95274 
1 1 1  -26   12   13 o  360.109   6.2406  351.333   12.117  347.819   17.687  354.440   16.633  358.384   9.1329  361.834   8.5070 -3.449799 12.48118 
1 1 1  -26   12   14 o  258.718   6.3907  181.135   8.8378  182.136   13.547  180.393   11.661  259.297   9.6684  258.139   8.3599 1.157990 12.78144 
1 1 1  -26   12   15 o  154.794   11.111   56.170   7.8905   83.356   17.590   49.322   8.8285  174.766   18.626  134.823   12.118 39.94263 22.22141 
1 1 1  -26   12   16 o  393.660   6.4095  419.747   13.624  398.326   19.147  441.716   19.390  383.468   9.2402  403.853   8.8852 -20.38528 12.81906 
1 1 1  -26   12   17 o  370.490   7.6953  372.785   14.721  374.040   18.315  370.496   24.745  371.580   9.1214  369.400   12.396 2.180328 15.39069 
1 1 1  -26   12   18 o  210.176   9.0087  119.685   10.231   0.0000   0.0000  119.685   10.231  ?   ?   210.176   9.0087      ?      ? 
1 1 1  -26   12   19 o  176.678   8.6901   83.827   8.2298   77.498   10.836   92.455   12.652  168.921   11.871  184.435   12.695 -15.51352 17.38014 
1 1 1  -26   12   20 o  451.458   9.3145  554.484   22.720  543.694   32.101  565.315   32.161  447.030   13.289  455.887   13.055 -8.857208 18.62896 
1 1 1  -26   12   21 o  120.857   12.431   40.128   8.0806   37.905   11.795   42.095   11.093  117.602   18.561  124.112   16.540 -6.509918 24.86114 
1 1 1  -26   12   22 o   72.301   16.594   12.237   7.9431   22.254   11.853   4.0721   10.702   88.212   24.157   56.390   22.759 31.82213 33.18895 
1 1 1  -26   12   23 o  446.896   8.1094  543.335   18.354  541.667   32.114  544.145   22.367  445.909   13.328  447.884   9.2419 -1.974823 16.21878 
1 1 1  -26   12   24 o  152.825   8.2780   64.510   6.6680   58.584   10.377   68.677   8.7024  146.625   13.097  159.026   10.127 -12.40085 16.55596 
1 1 1  -26   12   25 o  321.962   6.0783  281.719   10.532  275.056   15.509  287.421   14.347  318.358   9.0152  325.566   8.1551 -7.208527 12.15650 
1 1 1  -26   12   26 f  332.421   8.9332  301.685   15.854  300.000   24.338  302.928   20.896  331.361   13.592  333.480   11.596 -2.118439 17.86646 
1 1 1  -26   12   27 o  264.324   9.0697  192.075   12.846  178.040   18.997  203.896   17.436  255.155   13.778  273.493   11.798 -18.33861 18.13931 
1 1 1  -26   12   28 o   79.154   16.106   17.375   7.2981   13.390   9.6933   22.590   11.089   69.983   22.547   88.324   23.005 -18.34060 32.21170 
1 1 1  -26   12   29 o   80.921   13.300   17.297   5.6829   27.140   9.3855   11.600   7.1407   97.582   18.476   64.260   19.137 33.32152 26.60011 
1 1 1  -26   12   30 o  147.827   7.9740   60.060   6.2826   56.578   9.5505   62.716   8.3415  143.889   12.283  151.764   10.172 -7.874451 15.94793 
1 1 1  -26   12   31 o  258.690   6.0742  182.590   8.4170  176.623   12.654  187.325   11.272  254.770   9.1916  262.611   7.9434 -7.840729 12.14843 
1 1 1  -26   12   32 o  267.095   5.9963  194.312   8.5883  191.607   12.921  196.454   11.495  265.313   9.0123  268.877   7.9120 -3.563629 11.99251 
1 1 1  -26   12   33 o  176.169   7.1509   85.407   6.6890   80.413   10.299   89.051   8.7972  171.498   11.113  180.841   9.0024 -9.343124 14.30181 
1 1 1  -26   12   34 o  244.577   6.2180  163.965   8.1280  154.690   12.233  171.296   10.876  238.183   9.5047  250.971   8.0195 -12.78885 12.43591 
1 1 1  -26   12   35 o  120.851   9.6619   40.677   6.1568   38.281   9.6693   42.311   7.9847  117.532   15.225  124.171   11.900 -6.638672 19.32377 
1 1 1  -26   12   36 o  177.674   7.1737   85.306   6.8098   93.460   10.620   79.612   8.8743  184.679   10.642  170.668   9.6226 14.01140 14.34747 
1 1 1  -26   12   37 o  200.807   6.6581  110.997   7.1448  104.603   10.752  116.053   9.5611  195.390   10.184  206.223   8.5799 -10.83286 13.31612 
1 1 1  -26   12   38 o   88.008   12.885   23.940   5.8738   15.763   9.3214   29.325   7.5646   73.192   21.880  102.825   13.614 -29.63252 25.76964 
1 1 1  -26   12   39 o  182.154   6.9496   89.378   6.7119   99.105   10.780   83.220   8.5772  189.915   10.504  174.394   9.1018 15.52080 13.89916 
1 1 1  -26   12   40 o  106.597   10.129   31.332   5.7884   35.653   8.8935   28.156   7.6243  112.812   14.589  100.382   14.056 12.43084 20.25860 
1 1 1  -26   12   41 o  109.098   9.8849   33.121   5.7905   35.105   8.7866   31.598   7.6987  111.811   14.543  106.385   13.392 5.425240 19.76976 
1 1 1  -26   12   42 o   56.343   13.383   7.9092   5.5793  -1.5979   8.7065   14.534   7.2676   42.978   19.010   69.709   18.844 -26.73053 26.76681 
1 1 1  -26   12   43 o   96.461   12.279   29.295   5.9562   16.461   8.8547   39.901   8.0493   73.419   21.160  119.503   12.465 -46.08363 24.55886 
1 1 1  -26   12   44 o  106.213   10.582   31.495   5.9915   35.248   9.4472   28.970   7.7493  111.150   15.729  101.277   14.160 9.872742 21.16395 
1 1 1  -26   12   45 o  121.044   9.4746   42.172   6.0359   36.475   9.2256   46.435   7.9812  113.057   15.101  129.031   11.447 -15.97476 18.94927 
1 1 1  -26   12   46 o   89.760   12.607   24.234   5.9269   22.193   9.0014   25.796   7.8748   84.753   19.981   94.768   15.378 -10.01547 25.21304 
1 1 1  -26   12   47 o  133.822   8.6610   50.350   6.1881   51.342   9.5444   49.630   8.1279  134.544   13.128  133.100   11.301 1.443314 17.32204 
1 1 1  -26   12   48 o   60.852   14.658   10.300   5.7989   15.091   9.0583   6.9735   7.5483   69.332   21.734   52.372   19.673 16.95913 29.31545 
1 1 1  -26   12   49 o   89.132   13.211   24.649   6.1292   22.644   9.1581   26.276   8.2489   84.837   20.257   93.427   16.964 -8.589531 26.42189 
1 1 1  -26   12   50 o   78.304   14.384   19.063   6.0860   23.622   9.5651   15.963   7.8888   85.735   20.848   70.874   19.823 14.86098 28.76772 
1 1 1  -26   12   51 o   64.846   14.360   13.328   6.3469   3.5775   9.8639   20.218   8.2912   49.979   21.153   79.712   19.426 -29.73237 28.71996 
1 1 1  -26   12   52 f   54.055   13.607   6.7412   6.2696  -7.6522   10.027   15.979   8.0335   38.603   18.246   69.506   20.191 -30.90371 27.21356 
1 1 1  -26   12   53 o   33.163   16.753 -40.6081   14.412 -40.6081   14.412   0.0000   0.0000   33.163   16.753  ?   ?       ?      ? 
1 1 1  -26   12   55 o   92.610   20.408   38.308   11.316   40.991   16.375   35.856   15.655   95.725   29.087   89.495   28.634 6.230110 40.81585 
1 1 1  -26   12   56 o   52.903   15.469   6.1955   7.2583   12.914   11.271   1.4352   9.4874   61.086   23.763   44.720   19.809 16.36650 30.93701 
1 1 1  -26   12   57 o   48.489   14.734   5.2052   7.0221   2.5081   10.592   7.3200   9.3794   46.317   20.698   50.662   20.974 -4.344170 29.46736 
1 1 1  -26   13    1 o  397.005   6.3803  427.120   13.677  414.009   19.519  439.767   19.170  390.993   9.2383  403.016   8.8027 -12.02280 12.76060 
1 1 1  -26   13    2 o  135.340   8.7779   50.047   6.3509   46.961   9.5341   52.508   8.5152  131.516   13.416  139.164   11.323 -7.647369 17.55571 
1 1 1  -26   13    3 o  420.164   6.5119  477.450   14.771  449.309   20.516  507.736   21.283  407.315   9.3210  433.014   9.0960 -25.69827 13.02375 
1 1 1  -26   13    4 o  250.260   6.2616  169.458   8.4241  170.729   12.590  168.429   11.335  251.082   9.2793  249.437   8.4099 1.645050 12.52330 
1 1 1  -26   13    5 o  110.907   10.281   33.164   6.1229   35.701   9.3039   31.226   8.1321  114.598   15.025  107.216   14.036 7.381187 20.56104 
1 1 1  -26   13    6 o  276.498   6.1807  207.725   9.2005  194.983   13.319  219.356   12.725  268.329   9.1855  284.668   8.2722 -16.33871 12.36134 
1 1 1  -26   13    7 o  488.202   7.0152  645.828   18.502  629.743   26.179  661.879   26.152  482.110   10.049  494.293   9.7912 -12.18292 14.03037 
1 1 1  -26   13    8 o  203.808   6.9528  112.089   7.6211  116.891   11.438  108.256   10.220  207.697   10.192  199.919   9.4604 7.778290 13.90560 
1 1 1  -26   13    9 o  426.621   6.5474  493.097   15.087  475.993   21.341  510.184   21.331  419.205   9.4212  434.037   9.0947 -14.83191 13.09477 
1 1 1  -26   13   10 o  377.654   6.2863  386.455   12.816  366.775   18.118  406.163   18.132  368.004   9.1112  387.304   8.6635 -19.30035 12.57265 
1 1 1  -26   13   11 o  179.176   7.5688   87.185   7.2474   85.983   11.063   88.089   9.5923  178.046   11.499  180.307   9.8452 -2.261185 15.13763 
1 1 1  -26   13   12 o  304.586   6.0708  251.711   9.9524  245.127   14.634  257.378   13.575  300.839   9.0017  308.333   8.1479 -7.494202 12.14165 
1 1 1  -26   13   13 o  235.942   6.5391  151.919   8.2067  144.050   12.596  157.724   10.818  230.532   10.111  241.352   8.2950 -10.81982 13.07824 
1 1 1  -26   13   14 f  327.934   6.1799  290.708   10.897  296.943   16.317  285.689   14.639  331.064   9.1209  324.803   8.3410 6.261414 12.35975 
1 1 1  -26   13   15 o  169.694   12.319   91.704   8.4989   58.874   18.058  101.045   9.6324  146.288   22.844  193.100   9.2313 -46.81187 24.63895 
1 1 1  -26   13   16 o   57.828   17.179   1.1016   7.2354   7.3041   16.923  -0.2858   8.0038   71.593   28.716   44.063   18.864 27.53004 34.35776 
1 1 1  -26   13   17 o  265.097   9.6038  190.560   13.757  190.560   13.757   0.0000   0.0000  265.097   9.6038  ?   ?       ?      ? 
1 1 1  -26   13   18 o  109.504   21.641   34.122   12.352   34.122   12.352   0.0000   0.0000  109.504   21.641  ?   ?       ?      ? 
1 1 1  -26   13   19 o  257.087   8.3700  179.555   11.586  180.743   17.151  178.559   15.713  257.806   12.311  256.369   11.343 1.437500 16.73996 
1 1 1  -26   13   20 o  438.906   9.1979  523.217   21.789  498.198   29.949  551.351   31.758  427.798   12.955  450.014   13.060 -22.21552 18.39584 
1 1 1  -26   13   21 o  225.188   7.5650  134.146   8.6508  148.221   15.419  127.681   10.450  233.396   12.226  216.980   8.9131 16.41664 15.13002 
1 1 1  -26   13   22 o  557.686   7.6413  845.230   23.022  821.643   32.419  869.227   32.700  549.805   10.912  565.567   10.700 -15.76190 15.28254 
1 1 1  -26   13   23 o   54.284   14.242   3.2141   6.0658   12.912   9.4449  -3.5941   7.9136   68.993   22.259   39.575   17.773 29.41803 28.48363 
1 1 1  -26   13   24 o  132.562   9.5172   50.045   6.5196   38.380   10.005   58.653   8.5949  118.308   15.650  146.816   10.834 -28.50767 19.03431 
1 1 1  -26   13   25 o  160.522   12.924   75.315   10.488   55.721   16.652   88.198   13.503  141.477   21.781  179.567   13.916 -38.09013 25.84714 
1 1 1  -26   13   26 o  290.122   9.0045  231.635   13.967  214.347   20.845  245.721   18.816  279.964   13.779  300.281   11.596 -20.31708 18.00910 
1 1 1  -26   13   27 o  159.902   11.857   68.867   10.123   80.788   15.875   60.698   13.142  171.243   17.156  148.560   16.370 22.68304 23.71307 
1 1 1  -26   13   28 o  455.724   6.7487  563.121   16.544  582.563   24.768  547.460   22.230  462.687   9.9065  448.761   9.1673 13.92612 13.49736 
1 1 1  -26   13   29 o  168.596   7.5009   77.210   6.7489   79.314   10.457   75.709   8.8354  170.446   11.353  166.747   9.8057 3.698822 15.00181 
1 1 1  -26   13   30 o  140.092   8.5868   54.114   6.3828   51.493   9.8791   55.993   8.3626  136.969   13.348  143.215   10.806 -6.246368 17.17361 
1 1 1  -26   13   31 o  249.348   6.3305  171.221   8.4272  150.994   12.409  188.534   11.481  235.345   9.7577  263.350   8.0677 -28.00533 12.66095 
1 1 1  -26   13   32 o   96.434   11.805   25.688   5.9749   30.350   9.2313   22.326   7.8383  104.616   16.330   88.253   17.053 16.36205 23.61093 
1 1 1  -26   13   33 o  188.790   7.1046   97.139   7.1785   98.592   10.969   96.051   9.4942  189.892   10.690  187.688   9.3612 2.203751 14.20913 
1 1 1  -26   13   34 o  172.255   7.4311   79.116   6.8224   94.815   10.781   68.629   8.8110  186.099   10.721  158.410   10.293 27.68867 14.86219 
1 1 1  -26   13   35 o  188.360   7.0189   97.362   7.0442   95.350   10.845   98.831   9.2646  186.463   10.764  190.257   9.0115 -3.794678 14.03784 
1 1 1  -26   13   36 o  130.135   8.9414   47.859   6.0834   41.617   9.5156   52.174   7.9113  122.375   14.390  137.895   10.617 -15.52011 17.88272 
1 1 1  -26   13   37 o  190.969   6.7764  100.462   6.8486   96.647   10.720  103.094   8.9022  187.613   10.574  194.326   8.4777 -6.712662 13.55276 
1 1 1  -26   13   38 o   40.115   12.677  -2.7792   5.4721  -0.7549   8.8065  -4.0522   6.9840   44.559   19.432   35.671   16.286 8.887146 25.35415 
1 1 1  -26   13   39 o  124.623   9.5388   44.399   6.1606   38.854   9.8549   47.956   7.8929  117.443   15.529  131.804   11.082 -14.36035 19.07756 
1 1 1  -26   13   40 o   72.252   12.824   16.259   5.7902   3.9198   9.1698   24.442   7.4672   51.285   20.931   93.218   14.824 -41.93373 25.64885 
1 1 1  -26   13   41 o   34.153   11.454 -10.1470   5.6819  -4.2973   8.5179 -14.8366   7.6267   39.559   18.032   28.748   14.129 10.81119 22.90802 
1 1 1  -26   13   42 o  102.923   11.321   30.139   6.2476   31.043   9.4909   29.448   8.2994  103.968   16.893  101.878   15.076 2.089928 22.64219 
1 1 1  -26   13   43 o   85.234   13.520   21.365   6.0289   26.641   9.4094   17.691   7.8526   94.062   19.163   76.406   19.078 17.65640 27.04018 
1 1 1  -26   13   44 o  112.020   10.810   36.669   6.3219   31.886   9.8777   39.989   8.2278  104.762   17.449  119.277   12.765 -14.51586 21.61985 
1 1 1  -26   13   45 o   44.834   13.497   1.4250   5.7604  -2.4216   9.4362   3.7101   7.2729   43.262   19.419   46.407   18.751 -3.145283 26.99428 
1 1 1  -26   13   46 o   40.729   12.944  -2.4526   5.8812  -0.9072   9.0278  -3.5920   7.7518   43.782   19.362   37.677   17.185 6.104904 25.88848 
1 1 1  -26   13   47 o  150.295   8.5970   64.889   6.7671   58.085   10.618   69.543   8.7815  142.635   13.776  157.956   10.288 -15.32155 17.19405 
1 1 1  -26   13   48 o   46.229   13.896   1.9781   5.9816   2.9454   9.3077   1.2975   7.8072   48.873   20.609   43.585   18.645 5.288757 27.79116 
1 1 1  -26   13   49 o   53.861   14.704   7.3139   6.1301   4.9698   9.2847   9.1253   8.1619   51.163   20.992   56.559   20.597 -5.396008 29.40892 
1 1 1  -26   13   50 o   88.886   13.588   26.448   6.5554   14.772   9.9689   35.342   8.7012   67.626   22.908  110.146   14.619 -42.52001 27.17535 
1 1 1  -26   13   51 o  115.541   11.815   41.587   6.9264   36.700   10.819   44.981   9.0167  106.955   19.435  124.126   13.443 -17.17102 23.63095 
1 1 1  -26   13   52 o   65.386   26.772   12.579   15.061   12.579   15.061   0.0000   0.0000   65.386   26.772  ?   ?       ?      ? 
1 1 1  -26   13   54 o   56.216   25.399   6.1171   16.446   6.1171   16.446   0.0000   0.0000   56.216   25.399  ?   ?       ?      ? 
1 1 1  -26   13   55 o   46.789   14.442   2.0880   6.8731   7.5110   10.661  -1.7687   8.9909   53.192   22.220   40.385   18.454 12.80628 28.88380 
1 1 1  -26   13   56 o   95.053   14.582   32.149   7.2518   29.128   10.831   34.605   9.7633   88.472   22.579  101.634   18.457 -13.16273 29.16342 
1 1 1  -26   14    1 o  214.782   6.6760  125.435   7.7127  119.352   11.293  130.751   10.559  209.851   9.9591  219.713   8.8934 -9.861740 13.35201 
1 1 1  -26   14    2 o  289.374   6.1537  226.625   9.5942  228.751   14.150  224.816   13.053  290.605   9.0111  288.144   8.3830 2.460968 12.30748 
1 1 1  -26   14    4 o  254.514   6.3063  175.495   8.6350  174.980   12.817  175.923   11.685  254.142   9.3329  254.885   8.4840 -0.7436066 12.61270 
1 1 1  -26   14    5 o  245.544   6.3894  163.535   8.4534  160.178   12.362  166.483   11.586  243.148   9.4084  247.940   8.6476 -4.792587 12.77886 
1 1 1  -26   14    6 o  239.525   6.4543  155.415   8.3308  155.489   12.247  155.351   11.366  239.555   9.4606  239.496   8.7823 0.5961609E-01 12.90864 
1 1 1  -26   14    7 o  136.960   8.9658   51.392   6.5697   46.835   9.7222   55.221   8.9123  131.264   13.707  142.656   11.561 -11.39174 17.93154 
1 1 1  -26   14    8 o  401.404   6.4452  436.831   13.969  419.415   19.835  453.968   19.676  393.434   9.3300  409.373   8.8946 -15.93896 12.89041 
1 1 1  -26   14    9 o  185.262   7.2600   94.367   7.1643   81.929   10.581  104.895   9.7350  173.764   11.269  196.759   9.1562 -22.99477 14.52007 
1 1 1  -26   14   10 o  154.917   8.2228   65.954   6.7978   57.013   9.9376   73.817   9.3194  144.857   12.696  164.977   10.454 -20.11967 16.44567 
1 1 1  -26   14   11 o  175.865   7.5346   84.626   7.0799   78.209   10.595   89.803   9.5163  169.727   11.552  182.004   9.6761 -12.27664 15.06928 
1 1 1  -26   14   12 o  114.831   11.737   39.779   6.4356   21.341   9.4623   55.649   8.7786   86.493   20.550  143.170   11.347 -56.67696 23.47430 
1 1 1  -26   14   13 o  197.048   9.2769  105.258   9.8778   0.0000   0.0000  105.258   9.8778  ?   ?   197.048   9.2769      ?      ? 
1 1 1  -26   14   14 o   84.825   13.828   21.041   6.4380   13.117   9.7573   27.151   8.5677   69.914   22.631   99.736   15.897 -29.82125 27.65652 
1 1 1  -26   14   15 o  216.767   8.6904  128.161   10.107  124.077   15.088  131.486   13.613  213.534   13.076  220.000   11.451 -6.466110 17.38082 
1 1 1  -26   14   16 o  207.820   11.930  117.410   13.397   0.0000   0.0000  117.410   13.397  ?   ?   207.820   11.930      ?      ? 
1 1 1  -26   14   17 o  325.047   11.493  287.162   20.187   0.0000   0.0000  287.162   20.187  ?   ?   325.047   11.493      ?      ? 
1 1 1  -26   14   18 o  102.735   23.363   30.360   12.677   30.360   12.677   0.0000   0.0000  102.735   23.363  ?   ?       ?      ? 
1 1 1  -26   14   19 o  209.834   8.8683  123.396   9.7177  137.969   12.730  103.040   15.045  225.366   10.453  194.301   14.329 31.06464 17.73652 
1 1 1  -26   14   20 o  355.630   8.4728  343.009   16.282   0.0000   0.0000  343.009   16.282  ?   ?   355.630   8.4728      ?      ? 
1 1 1  -26   14   21 o  190.398   7.3449   99.457   7.4185   93.391   11.449  103.847   9.7396  185.223   11.439  195.573   9.2160 -10.34998 14.68972 
1 1 1  -26   14   22 o  313.040   6.2718  267.509   10.545  248.768   15.434  283.914   14.440  302.600   9.4389  323.479   8.2612 -20.87860 12.54354 
1 1 1  -26   14   23 o  245.980   6.5372  165.106   8.5792  159.503   13.099  169.314   11.353  242.195   10.009  249.766   8.4117 -7.571503 13.07439 
1 1 1  -26   14   24 o  144.256   15.025   60.628   10.386   53.356   18.272   64.099   12.623  135.628   25.876  152.884   15.279 -17.25591 30.05054 
1 1 1  -26   14   25 o  365.725   9.1376  365.413   17.907  365.540   27.128  365.315   23.839  365.519   13.735  365.931   12.056 -0.4121399 18.27529 
1 1 1  -26   14   26 o   51.223   16.263  -7.0783   9.0688   0.8079   15.064 -11.5608   11.357   60.677   25.926   41.770   19.643 18.90676 32.52696 
1 1 1  -26   14   27 o  371.988   6.3063  375.828   12.603  380.103   18.915  372.415   16.901  373.768   9.3651  370.209   8.4483 3.559021 12.61261 
1 1 1  -26   14   28 o  112.140   10.417   33.557   6.1787   39.883   10.076   29.745   7.8220  120.235   15.509  104.045   13.913 16.19080 20.83445 
1 1 1  -26   14   29 o  118.716   9.9125   39.076   6.2229   37.221   9.7302   40.360   8.0949  116.073   15.513  121.359   12.344 -5.286476 19.82495 
1 1 1  -26   14   30 o   80.396   14.099   18.214   6.0338   22.843   9.5442   15.133   7.7875   88.516   20.376   72.277   19.493 16.23945 28.19831 
1 1 1  -26   14   31 o   70.745   13.712   12.795   5.9256   24.140   9.1017   4.4481   7.8067   91.272   19.069   50.217   19.709 41.05498 27.42369 
1 1 1  -26   14   32 o  122.909   9.2400   41.151   6.0049   43.653   9.6504   39.571   7.6709  125.718   14.206  120.100   11.820 5.618683 18.48001 
1 1 1  -26   14   33 o  211.609   6.8434  122.412   7.7442  122.175   11.823  122.591   10.249  211.253   10.357  211.964   8.9482 -0.7112274 13.68689 
1 1 1  -26   14   34 o  235.332   6.4986  151.505   8.1162  150.358   12.707  152.294   10.548  234.325   10.035  236.338   8.2595 -2.012878 12.99726 
1 1 1  -26   14   35 o   41.330   12.956  -1.9950   5.6782  -2.3367   8.8164  -1.7528   7.4226   42.882   19.040   39.779   17.576 3.102402 25.91233 
1 1 1  -26   14   36 o   64.225   14.737   11.581   5.7629   12.228   9.1394   11.155   7.4251   65.943   21.933   62.507   19.691 3.436131 29.47472 
1 1 1  -26   14   37 o   72.395   13.694   16.162   5.7614   8.8621   8.9418   21.344   7.5338   59.214   21.559   85.577   16.891 -26.36263 27.38806 
1 1 1  -26   14   38 o  124.453   9.5686   43.372   6.3653   42.239   9.6595   44.241   8.4626  122.694   14.569  126.213   12.408 -3.518394 19.13717 
1 1 1  -26   14   39 o  110.306   10.438   34.436   6.1571   32.509   9.2303   35.981   8.2645  107.145   15.942  113.467   13.479 -6.321716 20.87691 
1 1 1  -26   14   40 o   56.797   14.733   8.2565   5.8814   7.3782   9.2175   8.8597   7.6383   56.467   21.616   57.127   20.024 -0.6602173 29.46555 
1 1 1  -26   14   41 o  180.032   7.4401   89.552   7.1378   90.771   11.076   88.686   9.3345  180.728   11.342  179.336   9.6324 1.392166 14.88013 
1 1 1  -26   14   42 o   82.079   14.242   21.063   6.2003   18.009   10.055   22.936   7.8760   76.221   22.710   87.937   17.191 -11.71638 28.48320 
1 1 1  -26   14   43 o  166.125   7.9660   77.153   7.0660   75.394   10.778   78.480   9.3575  164.037   12.159  168.213   10.295 -4.176346 15.93199 
1 1 1  -26   14   44 o   67.443   14.848   13.210   6.0170   18.700   9.4368   9.4497   7.8106   77.094   21.722   57.792   20.250 19.30136 29.69688 
1 1 1  -26   14   45 o  120.726   10.013   40.965   6.3529   44.763   10.430   38.724   8.0105  124.434   15.511  117.018   12.668 7.416336 20.02683 
1 1 1  -26   14   46 o  141.761   8.7370   56.576   6.5540   57.738   10.405   55.812   8.4383  142.350   13.527  141.172   11.062 1.178299 17.47400 
1 1 1  -26   14   47 o   62.077   13.948   10.981   6.3867  -2.0829   10.091   19.712   8.2492   44.668   20.064   79.486   19.381 -34.81772 27.89571 
1 1 1  -26   14   48 o   75.683   15.210   18.194   6.4373   21.369   10.095   16.019   8.3571   80.629   22.378   70.737   20.607 9.892044 30.42076 
1 1 1  -26   14   49 o   87.230   14.326   23.553   6.6010   31.034   10.336   18.400   8.5783   98.949   20.018   75.511   20.498 23.43796 28.65118 
1 1 1  -26   14   50 o   72.789   15.246   18.221   6.5865   13.972   10.040   21.430   8.7267   64.871   22.939   80.706   20.089 -15.83450 30.49213 
1 1 1  -26   14   51 o   50.055   16.281  -8.8645   10.125   9.0270   16.247 -20.2275   12.948   62.538   26.828   37.573   18.454 24.96490 32.56220 
1 1 1  -26   14   54 o   54.618   15.648   8.9376   7.1135   9.8771   10.988   8.2597   9.3336   56.280   22.934   52.956   21.296 3.323750 31.29691 
1 1 1  -26   14   55 o   70.156   16.290   18.883   7.3118   15.064   10.826   22.087   9.9149   63.353   23.607   76.958   22.453 -13.60582 32.57912 
1 1 1  -26   15    1 o  176.516   7.5968   86.207   7.0576   64.386   10.047  107.467   9.9165  153.928   12.079  199.104   9.2170 -45.17645 15.19360 
1 1 1  -26   15    2 o  111.903   10.507   34.283   6.3203   32.120   9.2324   36.191   8.6705  108.506   15.746  115.299   13.917 -6.793358 21.01449 
1 1 1  -26   15    3 o  325.214   8.5745  286.580   15.068   0.0000   0.0000  286.580   15.068  ?   ?   325.214   8.5745      ?      ? 
1 1 1  -26   15    4 o  131.135   9.4089   47.452   6.5683   41.334   9.7352   52.563   8.8989  123.172   14.627  139.098   11.839 -15.92663 18.81784 
1 1 1  -26   15    5 o  268.302   6.2821  194.243   9.0760  204.959   13.534  185.485   12.235  274.976   9.1086  261.628   8.6541 13.34787 12.56423 
1 1 1  -26   15    6 o  173.087   10.105   81.273   9.4509   0.0000   0.0000   81.273   9.4509  ?   ?   173.087   10.105      ?      ? 
1 1 1  -26   15    7 o  147.428   8.4259   59.090   6.6950   58.641   9.8079   59.481   9.1615  146.872   12.358  147.984   11.457 -1.111221 16.85171 
1 1 1  -26   15    8 o  137.596   9.1502   51.545   6.7349   51.206   10.260   51.802   8.9278  137.130   13.846  138.062   11.967 -0.9316406 18.30048 
1 1 1  -26   15    9 o   64.616   15.105   10.973   6.0967   10.882   9.3002   11.041   8.0734   65.141   22.126   64.091   20.569 1.050377 30.21007 
1 1 1  -26   15   10 o  290.228   6.3669  228.633   9.9545  224.643   14.591  232.108   13.615  287.814   9.3819  292.642   8.6098 -4.828857 12.73375 
1 1 1  -26   15   11 o  288.262   7.2496  224.548   11.136  219.822   14.516  231.306   17.360  284.691   9.4362  291.832   11.008 -7.140717 14.49928 
1 1 1  -26   15   12 o  333.450   8.3341  302.154   15.005  286.036   21.015  318.919   21.432  324.345   11.990  342.555   11.578 -18.20932 16.66820 
1 1 1  -26   15   13 o  246.810   8.3608  166.267   11.107  154.031   16.004  177.635   15.426  237.932   12.448  255.688   11.165 -17.75536 16.72165 
1 1 1  -26   15   14 o  215.771   9.0219  126.948   10.471  124.527   15.488  128.986   14.210  213.788   13.406  217.754   12.077 -3.965652 18.04374 
1 1 1  -26   15   15 o  149.774   10.631   61.137   8.5896   63.536   12.600   59.054   11.741  152.485   15.291  147.064   14.774 5.421738 21.26275 
1 1 1  -26   15   16 f  151.040   10.288   62.714   7.8559   61.104   13.703   63.502   9.5882  149.294   16.985  152.785   11.614 -3.490967 20.57620 
1 1 1  -26   15   17 o   86.419   14.744   27.966   7.8479 -13.6779   18.622   36.959   8.6539   56.473   26.079  116.366   13.763 -59.89289 29.48785 
1 1 1  -26   15   18 o  174.718   12.097   90.297   8.7945   73.716   19.478   94.542   9.8563  162.889   22.129  186.547   9.7778 -23.65755 24.19300 
1 1 1  -26   15   19 o   51.493   15.549   0.3246   7.5974   2.2524   9.7572  -2.6441   12.108   51.640   21.387   51.345   22.577 0.2945518 31.09893 
1 1 1  -26   15   20 o  297.762   7.6563  244.786   12.085  263.125   16.006  220.473   18.430  311.169   9.5193  284.354   11.994 26.81512 15.31260 
1 1 1  -26   15   21 o  235.857   6.6795  151.420   8.4507  148.899   12.686  153.432   11.330  234.003   10.033  237.711   8.8208 -3.707962 13.35909 
1 1 1  -26   15   22 o  254.239   6.5849  175.933   8.9424  173.553   13.675  177.711   11.820  252.622   10.018  255.856   8.5490 -3.234131 13.16987 
1 1 1  -26   15   23 o  197.770   11.452  105.991   11.642  112.770   20.055  102.545   14.298  201.965   18.377  193.576   13.669 8.388565 22.90304 
1 1 1  -26   15   24 o   65.419   17.633   8.3902   9.1001  -2.8626   15.502   14.306   11.241   58.040   25.533   72.799   24.327 -14.75875 35.26661 
1 1 1  -26   15   25 o   58.731   16.450   5.4261   7.7135   3.3172   10.184   8.2635   11.813   53.769   22.015   63.694   24.450 -9.924564 32.90038 
1 1 1  -26   15   26 o  289.200   6.2495  226.826   9.6759  232.624   14.802  222.501   12.786  292.294   9.3717  286.107   8.2702 6.187103 12.49897 
1 1 1  -26   15   27 o  146.925   8.6325   59.570   6.7646   56.110   10.254   62.236   9.0010  142.936   13.276  150.915   11.038 -7.978577 17.26497 
1 1 1  -26   15   28 o  185.478   7.3354   95.542   7.1341   86.474   11.245  101.650   9.2291  177.722   11.709  193.234   8.8387 -15.51141 14.67086 
1 1 1  -26   15   29 o  201.012   7.1646  106.978   7.6537  130.018   12.251   92.227   9.8021  218.174   10.391  183.850   9.8666 34.32449 14.32929 
1 1 1  -26   15   30 o   74.499   14.776   15.782   6.1020   18.570   9.6636   13.933   7.8693   79.564   21.822   69.435   19.930 10.12836 29.55289 
1 1 1  -26   15   31 o  173.532   7.6481   83.803   6.9340   76.954   11.078   88.215   8.8908  167.269   12.257  179.794   9.1511 -12.52501 15.29610 
1 1 1  -26   15   32 o   44.725   13.638  -0.6829   5.9595   2.4229   9.2243  -2.9081   7.8077   49.896   20.740   39.554   17.716 10.34209 27.27670 
1 1 1  -26   15   33 o  209.062   8.7007  119.326   9.8292   0.0000   0.0000  119.326   9.8292  ?   ?   209.062   8.7007      ?      ? 
1 1 1  -26   15   34 o   82.249   13.746   18.840   5.8677   25.382   9.8102   15.196   7.3218   92.627   20.171   71.871   18.681 20.75513 27.49281 
1 1 1  -26   15   35 o   85.043   12.865   23.987   5.8793   9.8016   9.6122   32.466   7.4316   61.820   22.376  108.266   12.703 -46.44599 25.73034 
1 1 1  -26   15   36 o   52.265   14.641   5.0526   6.0626   5.4070   9.4929   4.8086   7.8787   54.240   21.591   50.291   19.780 3.948269 29.28155 
1 1 1  -26   15   37 o   94.302   12.640   26.100   6.1599   24.599   9.6849   27.120   7.9826   90.456   20.311   98.149   15.051 -7.692513 25.28009 
1 1 1  -26   15   38 f  164.762   7.7913   73.910   6.8141   81.193   10.886   69.218   8.7375  171.061   11.777  158.463   10.204 12.59825 15.58258 
1 1 1  -26   15   39 o   79.801   13.174   16.840   6.0799   31.996   9.7662   7.2494   7.7691  105.549   17.123   54.053   20.027 51.49606 26.34891 
1 1 1  -26   15   40 o  253.606   8.4495  176.540   11.579   0.0000   0.0000  176.540   11.579  ?   ?   253.606   8.4495      ?      ? 
1 1 1  -26   15   41 o  146.785   8.8971   61.449   6.8163   55.626   10.838   65.259   8.7672  140.156   14.310  153.413   10.576 -13.25740 17.79422 
1 1 1  -26   15   42 o   75.317   15.033   17.196   6.2716   20.274   10.059   15.239   8.0216   80.213   22.366   70.422   20.092 9.791176 30.06559 
1 1 1  -26   15   43 o  223.923   6.7316  138.090   8.0710  144.295   12.381  133.504   10.644  227.963   10.051  219.883   8.9580 8.079361 13.46326 
1 1 1  -26   15   44 o   89.117   13.448   26.822   6.4934   12.653   10.186   36.523   8.4281   65.095   23.095  113.139   13.786 -48.04372 26.89645 
1 1 1  -26   15   45 o   70.192   15.089   15.566   6.2006   14.311   9.8301   16.395   7.9909   67.905   22.749   72.480   19.829 -4.574425 30.17800 
1 1 1  -26   15   46 o  146.909   8.8645   62.843   6.7620   53.914   10.664   68.847   8.7449  136.814   14.425  157.004   10.308 -20.19005 17.72902 
1 1 1  -26   15   47 o  135.357   9.5137   52.474   6.8940   53.930   10.535   51.383   9.1172  136.480   14.285  134.235   12.569 2.244888 19.02735 
1 1 1  -26   15   48 o   99.063   13.339   29.168   6.8998   40.654   10.919   21.533   8.9024  116.311   17.373   81.816   20.246 34.49463 26.67844 
1 1 1  -26   15   49 o   46.343   14.225  -0.0821   6.6266   7.8020   10.624  -5.1031   8.4780   55.558   22.586   37.128   17.300 18.42986 28.44968 
1 1 1  -26   15   50 f   65.759   18.216   1.1070   10.362   34.054   18.210 -14.6667   12.600   91.837   30.962   39.681   19.199 52.15635 36.43164 
1 1 1  -26   15   53 o   80.271   16.048   23.531   7.1704   25.715   11.326   22.071   9.2632   81.992   24.019   78.550   21.291 3.441818 32.09676 
1 1 1  -26   15   54 o  113.769   13.088   43.366   7.6012   37.962   11.605   47.428   10.060  103.598   21.436  123.941   15.020 -20.34244 26.17505 
1 1 1  -26   16    1 o  260.311   6.4278  184.140   9.0236  173.815   12.903  194.022   12.624  253.117   9.4338  267.504   8.7333 -14.38710 12.85565 
1 1 1  -26   16    2 o  229.561   9.9579  143.032   12.352  143.032   12.352   0.0000   0.0000  229.561   9.9579  ?   ?       ?      ? 
1 1 1  -26   16    3 o  230.186   6.7595  143.870   8.3891  142.007   12.235  145.523   11.525  228.743   9.8984  231.628   9.2078 -2.884476 13.51896 
1 1 1  -26   16    4 o  293.259   9.1016  233.247   14.423  233.247   14.423   0.0000   0.0000  293.259   9.1016  ?   ?       ?      ? 
1 1 1  -26   16    5 o  190.806   7.3141   99.476   7.4909   91.376   10.944  106.616   10.275  183.386   11.044  198.225   9.5928 -14.83931 14.62820 
1 1 1  -26   16    6 o  489.183   7.1664  649.815   18.938  635.072   26.865  664.378   26.701  483.633   10.280  494.734   9.9877 -11.10059 14.33276 
1 1 1  -26   16    7 o  175.047   7.8414   83.499   7.3906   75.785   10.492   91.096   10.412  166.950   11.630  183.144   10.521 -16.19447 15.68283 
1 1 1  -26   16    8 o  138.181   10.405   50.978   7.6266   39.022   10.066   67.095   11.686  119.487   15.589  156.875   13.786 -37.38799 20.81049 
1 1 1  -26   16    9 o  167.863   9.7783   76.521   8.8361   80.360   13.196   73.401   11.897  171.619   14.229  164.108   13.416 7.510757 19.55663 
1 1 1  -26   16   10 o  285.487   8.0731  221.755   12.440  218.874   17.955  224.414   17.253  283.655   11.714  287.320   11.112 -3.665344 16.14623 
1 1 1  -26   16   11 o  501.977   9.9301  686.701   26.916  661.036   37.210  714.865   38.980  492.172   13.991  511.782   14.095 -19.60913 19.86026 
1 1 1  -26   16   12 o   58.899   16.043   2.7626   8.0201   14.124   11.684  -7.3604   11.029   73.352   24.801   44.446   20.358 28.90674 32.08592 
1 1 1  -26   16   13 o  332.054   7.5822  292.714   12.639  318.919   22.960  281.322   15.139  342.104   12.420  322.004   8.7003 20.10016 15.16442 
1 1 1  -26   16   14 o  184.164   7.8804   93.150   7.6678   87.985   12.001   96.713   9.9676  179.657   12.362  188.670   9.7769 -9.012985 15.76089 
1 1 1  -26   16   15 o  251.895   6.7443  171.591   9.0652  177.350   14.072  167.505   11.852  255.391   10.197  248.399   8.8299 6.992126 13.48856 
1 1 1  -26   16   16 o  290.797   8.6469  229.559   13.587   0.0000   0.0000  229.559   13.587  ?   ?   290.797   8.6469      ?      ? 
1 1 1  -26   16   17 o  263.156   8.6149  187.995   12.250   0.0000   0.0000  187.995   12.250  ?   ?   263.156   8.6149      ?      ? 
1 1 1  -26   16   18 o  116.092   15.806   34.490   7.8421   45.180   18.245   32.068   8.6853  124.003   27.903  108.182   14.857 15.82140 31.61215 
1 1 1  -26   16   19 o   59.598   17.637  -4.2520   7.5288   16.275   18.662  -8.2422   8.2280   83.337   31.006   35.860   16.817 47.47684 35.27325 
1 1 1  -26   16   20 o  225.487   8.2970  136.270   9.7909  129.534   12.260  148.131   16.268  218.153   10.400  232.821   12.930 -14.66837 16.59398 
1 1 1  -26   16   21 o   69.576   17.101   12.444   8.0539   16.072   10.507   7.2748   12.541   75.519   23.364   63.632   24.978 11.88714 34.20197 
1 1 1  -26   16   22 o   82.642   19.453   16.361   10.253   28.761   16.780   8.9730   12.952   98.814   29.315   66.471   25.580 32.34235 38.90620 
1 1 1  -26   16   23 o  146.571   13.703   58.714   10.419   64.167   17.676   55.811   12.899  151.118   21.647  142.023   16.807 9.094391 27.40539 
1 1 1  -26   16   24 o   55.853   15.974   4.3196   7.4260   3.6764   9.9134   5.1419   11.209   53.577   21.803   58.129   23.351 -4.552288 31.94787 
1 1 1  -26   16   25 o  297.981   8.4581  241.527   13.619   0.0000   0.0000  241.527   13.619  ?   ?   297.981   8.4581      ?      ? 
1 1 1  -26   16   26 o  187.755   9.2235   96.039   9.3578   0.0000   0.0000   96.039   9.3578  ?   ?   187.755   9.2235      ?      ? 
1 1 1  -26   16   27 o  167.399   8.0702   77.280   7.1620   73.621   11.119   79.874   9.3633  163.755   12.565  171.044   10.131 -7.289001 16.14050 
1 1 1  -26   16   28 o  128.762   9.2891   44.778   6.3553   50.273   10.150   41.233   8.1510  134.994   13.914  122.530   12.311 12.46379 18.57825 
1 1 1  -26   16   29 o   79.380   13.308   15.971   6.2673   31.493   9.9167   5.6476   8.0872  106.083   17.300   52.678   20.228 53.40482 26.61637 
1 1 1  -26   16   30 o  290.318   6.3984  230.112   9.9200  230.480   15.240  229.842   13.067  290.284   9.7156  290.352   8.3287 -0.6744385E-01 12.79688 
1 1 1  -26   16   31 o  110.062   10.912   33.358   6.3682   36.071   10.180   31.614   8.1622  113.413   16.612  106.710   14.155 6.702988 21.82475 
1 1 1  -26   16   32 o  148.594   8.9386   62.981   6.9308   50.416   10.537   72.562   9.2015  134.585   14.489  162.603   10.472 -28.01776 17.87726 
1 1 1  -26   16   33 o  101.779   12.164   31.363   6.0714   24.287   9.9751   35.527   7.6520   90.228   20.874  113.330   12.495 -23.10196 24.32802 
1 1 1  -26   16   34 o   62.115   12.046   8.6953   6.0878 -13.4392   9.7492   22.842   7.7941   35.674   17.167   88.557   16.904 -52.88314 24.09276 
1 1 1  -26   16   35 o  150.865   8.3820   62.679   6.6863   64.972   10.689   61.205   8.5700  152.752   12.950  148.977   10.646 3.775330 16.76400 
1 1 1  -26   16   36 o  114.802   11.099   39.859   6.2470   28.759   9.7402   47.615   8.1422   98.479   18.992  131.124   11.491 -32.64459 22.19778 
1 1 1  -26   16   37 o  185.826   7.4273   97.180   7.2736   85.675   11.186  105.607   9.5737  175.584   11.790  196.067   9.0362 -20.48323 14.85459 
1 1 1  -26   16   38 o  109.764   11.413   36.399   6.2128   28.174   9.7531   42.015   8.0597   96.813   19.320  122.714   12.154 -25.90059 22.82536 
1 1 1  -26   16   39 o  110.507   11.682   36.548   6.4974   30.173   10.140   40.990   8.4632  100.120   19.443  120.893   12.955 -20.77245 23.36396 
1 1 1  -26   16   40 o   96.532   19.813   28.362   9.9886   28.362   9.9886   0.0000   0.0000   96.532   19.813  ?   ?       ?      ? 
1 1 1  -26   16   41 o  171.234   7.8245   82.040   7.0790   80.413   11.177   83.130   9.1475  169.223   12.223  173.245   9.7713 -4.022018 15.64900 
1 1 1  -26   16   42 o   63.361   15.128   11.090   6.1596   16.807   9.7988   7.3542   7.9201   72.969   22.561   53.753   20.160 19.21518 30.25572 
1 1 1  -26   16   43 o   81.591   14.599   21.170   6.3605   19.684   10.240   22.104   8.1161   78.157   22.822   85.025   18.213 -6.867088 29.19898 
1 1 1  -26   16   44 o   88.585   13.939   23.544   6.3362   28.248   10.462   20.818   7.9626   94.778   20.982   82.393   18.355 12.38421 27.87720 
1 1 1  -26   16   45 o  147.366   8.9483   59.936   7.0066   72.592   11.229   51.865   8.9663  159.503   13.028  135.229   12.270 24.27394 17.89655 
1 1 1  -26   16   46 o  120.278   10.823   42.779   6.7314   40.340   11.021   44.231   8.5013  116.054   17.574  124.502   12.636 -8.448090 21.64535 
1 1 1  -26   16   47 o   44.675   14.035  -1.3985   6.6266   3.9233   10.756  -4.6544   8.4129   51.609   21.975   37.740   17.464 13.86876 28.06951 
1 1 1  -26   16   48 o  140.687   10.166   58.508   7.6115   58.001   11.752   58.874   9.9897  139.063   15.640  142.311   12.990 -3.247818 20.33108 
1 1 1  -26   16   49 o   44.638   15.473 -22.1694   11.237  -8.1104   19.249 -29.4369   13.839   53.669   25.340   35.606   17.762 18.06306 30.94572 
1 1 1  -26   16   52 o  147.009   10.889   69.186   8.1402   54.045   12.738   79.638   10.583  129.150   18.252  164.868   11.880 -35.71754 21.77736 
1 1 1  -26   16   53 o   77.246   15.366   23.425   7.3243   13.357   11.677   29.956   9.4043   60.631   24.006   93.861   19.190 -33.22932 30.73298 
1 1 1  -26   17    1 o  174.645   7.6494   83.003   7.2130   82.143   10.381   83.806   10.030  173.743   11.057  175.547   10.573 -1.803665 15.29871 
1 1 1  -26   17    2 o  496.556   10.280  670.265   27.585   0.0000   0.0000  670.265   27.585  ?   ?   496.556   10.280      ?      ? 
1 1 1  -26   17    3 f  202.629   12.090  111.869   13.238   0.0000   0.0000  111.869   13.238  ?   ?   202.629   12.090      ?      ? 
1 1 1  -26   17    4 o  310.674   8.0352  262.729   13.488  263.063   18.974  262.387   19.179  310.888   11.294  310.460   11.432 0.4274597 16.07032 
1 1 1  -26   17    5 o  246.192   8.2039  165.046   10.914  164.887   15.486  165.203   15.383  246.067   11.647  246.317   11.557 -0.2499542 16.40782 
1 1 1  -26   17    6 o  112.912   12.689   35.092   7.7338   34.910   10.678   35.293   11.216  112.651   17.542  113.173   18.340 -0.5220566 25.37898 
1 1 1  -26   17    7 o  319.447   8.1191  277.905   14.013  271.622   19.781  284.234   19.854  315.799   11.592  323.096   11.372 -7.297394 16.23829 
1 1 1  -26   17    8 o   65.256   16.189   10.213   7.2868   5.4685   10.470   14.671   10.148   57.659   22.762   72.854   23.027 -15.19530 32.37831 
1 1 1  -26   17    9 o   94.229   14.307   24.140   6.9347   32.658   11.400   19.136   8.7372  106.888   20.483   81.571   19.980 25.31716 28.61408 
1 1 1  -26   17   10 o  147.021   9.0021   58.115   7.0737   64.898   11.035   53.384   9.2163  154.132   13.249  139.910   12.191 14.22249 18.00423 
1 1 1  -26   17   11 o  132.747   10.015   48.475   7.0516   46.819   10.975   49.639   9.2024  130.633   15.548  134.860   12.628 -4.226929 20.02974 
1 1 1  -26   17   12 o  256.236   8.8200  178.279   12.212   0.0000   0.0000  178.279   12.212  ?   ?   256.236   8.8200      ?      ? 
1 1 1  -26   17   13 o  116.553   10.862   36.799   6.7968   41.604   10.347   33.152   9.0145  123.142   15.549  109.964   15.171 13.17845 21.72409 
1 1 1  -26   17   14 o  440.224   9.4215  526.599   22.412   0.0000   0.0000  526.599   22.412  ?   ?   440.224   9.4215      ?      ? 
1 1 1  -26   17   15 o  220.753   9.1031  132.380   10.859   0.0000   0.0000  132.380   10.859  ?   ?   220.753   9.1031      ?      ? 
1 1 1  -26   17   16 o  176.941   9.9613   85.159   9.5243   0.0000   0.0000   85.159   9.5243  ?   ?   176.941   9.9613      ?      ? 
1 1 1  -26   17   17 o  257.134   8.6278  179.589   11.988   0.0000   0.0000  179.589   11.988  ?   ?   257.134   8.6278      ?      ? 
1 1 1  -26   17   18 o   95.144   13.846   27.502   6.9068   16.407   10.564   35.786   9.1282   76.142   23.406  114.147   14.799 -38.00501 27.69173 
1 1 1  -26   17   19 o  216.897   10.214  132.014   9.8701  124.234   20.775  134.282   11.217  211.638   18.166  222.156   9.3438 -10.51779 20.42833 
1 1 1  -26   17   20 o  129.646   14.932   44.730   8.6633   54.099   18.361   42.047   9.8258  135.685   25.989  123.606   14.711 12.07899 29.86356 
1 1 1  -26   17   21 f  168.434   13.320   82.422   11.417   67.432   18.556   91.554   14.483  154.564   22.217  182.305   14.702 -27.74167 26.64064 
1 1 1  -26   17   22 o  100.761   19.594   29.782   10.382   31.126   19.024   29.212   12.390  101.945   31.421   99.578   23.420 2.367210 39.18880 
1 1 1  -26   17   23 o   75.377   14.412   15.489   6.4712   25.694   9.6174   7.0471   8.7476   94.189   19.537   56.564   21.192 37.62493 28.82330 
1 1 1  -26   17   24 o  134.559   9.7188   50.975   6.8757   43.670   10.535   56.396   9.0752  125.625   15.519  143.493   11.704 -17.86860 19.43754 
1 1 1  -26   17   25 o  411.225   6.6812  461.644   14.808  454.006   21.628  468.384   20.318  407.870   9.8132  414.580   9.0693 -6.710236 13.36233 
1 1 1  -26   17   26 o   70.874   15.307   13.665   6.4011   19.005   10.083   10.059   8.2849   80.370   22.386   61.378   20.883 18.99210 30.61448 
1 1 1  -26   17   27 o  304.709   6.3629  254.232   10.432  241.597   15.234  265.388   14.315  297.390   9.4798  312.027   8.4898 -14.63742 12.72576 
1 1 1  -26   17   28 o  255.168   6.5550  178.304   8.9810  174.265   13.391  181.605   12.108  252.361   9.8198  257.975   8.6857 -5.614105 13.10990 
1 1 1  -26   17   29 o   86.785   13.874   21.110   6.3892   31.186   10.066   14.312   8.2681  103.597   18.668   69.973   20.529 33.62452 27.74780 
1 1 1  -26   17   30 o   64.383   15.393   11.391   6.3185   11.892   9.6404   11.014   8.3659   65.794   22.526   62.972   20.986 2.821735 30.78695 
1 1 1  -26   17   31 o   76.298   14.192   18.211   6.2808   9.2877   9.9510   24.120   8.0975   61.415   22.683   91.182   17.062 -29.76638 28.38319 
1 1 1  -26   17   32 o   46.688   13.492  -5.3719   6.1953   11.008   9.9760 -15.6552   7.9042   64.178   22.847   29.198   14.357 34.97940 26.98322 
1 1 1  -26   17   33 o   65.190   15.253   11.958   6.2148   14.162   9.5047   10.311   8.2141   69.435   22.321   60.945   20.794 8.490211 30.50605 
1 1 1  -26   17   34 o   41.002   13.030  -2.7812   5.9128  -4.0504   9.4956  -1.9775   7.5566   42.425   19.222   39.580   17.598 2.845383 26.06087 
1 1 1  -26   17   35 o   55.064   14.065   2.5468   6.0053   16.894   10.047  -5.4278   7.4906   74.576   22.810   35.552   16.461 39.02395 28.12903 
1 1 1  -26   17   36 o   59.386   14.580   9.5046   6.1847   2.1789   9.8092   14.338   7.9680   49.844   21.095   68.929   20.133 -19.08514 29.16045 
1 1 1  -26   17   37 o  182.134   7.9601   93.843   7.6560   82.084   11.660  102.754   10.151  171.287   12.598  192.982   9.7339 -21.69469 15.92012 
1 1 1  -26   17   38 f  203.232   7.1569  112.609   7.7700  125.262   12.142  103.835   10.111  212.539   10.573  193.925   9.6490 18.61426 14.31372 
1 1 1  -26   17   39 o   84.599   19.218   21.855   8.5856   0.0000   0.0000   21.855   8.5856  ?   ?    84.599   19.218      ?      ? 
1 1 1  -26   17   40 o  111.664   11.770   38.268   6.4459   30.553   10.450   43.007   8.1896   99.661   20.098  123.666   12.255 -24.00493 23.53937 
1 1 1  -26   17   41 o  122.977   10.148   43.873   6.5643   40.380   10.266   46.289   8.5379  117.871   16.117  128.081   12.336 -10.20986 20.29630 
1 1 1  -26   17   42 o   64.142   15.333   12.276   6.1415   13.333   10.236   11.682   7.6768   66.240   23.183   62.044   20.073 4.196346 30.66513 
1 1 1  -26   17   43 f  127.917   10.064   43.679   6.7098   62.364   11.377   33.713   8.3087  147.409   14.283  108.426   14.181 38.98325 20.12713 
1 1 1  -26   17   44 o   44.812   13.955  -0.4562   6.3783   2.7416   10.380  -2.3963   8.0849   50.144   21.475   39.481   17.826 10.66326 27.90951 
1 1 1  -26   17   45 o   89.760   14.046   28.088   6.9853   13.250   11.123   37.752   8.9761   65.524   24.016  113.996   14.572 -48.47219 28.09117 
1 1 1  -26   17   46 o   55.517   15.629   7.6688   6.9285   10.187   10.908   5.9659   8.9703   59.643   23.329   51.392   20.803 8.251617 31.25710 
1 1 1  -26   17   47 o   54.083   15.522   5.6657   7.0626   12.801   11.386   1.2027   9.0044   63.336   24.077   44.830   19.597 18.50552 31.04370 
1 1 1  -26   17   48 o   32.675   16.521 -41.2162   14.211   0.0000   0.0000 -41.2162   14.211  ?   ?    32.675   16.521      ?      ? 
1 1 1  -26   17   51 o   86.894   15.542   28.231   7.6529   18.921   11.583   35.444   10.195   70.292   24.657  103.495   18.928 -33.20383 31.08450 
1 1 1  -26   17   52 o   48.376   14.878   4.0963   7.1274   8.0339   11.287   1.4845   9.1922   53.272   22.591   43.480   19.366 9.792355 29.75613 
1 1 1  -26   18    1 o  240.537   8.1851  157.713   10.565  183.108   15.224  134.122   14.673  259.343   10.863  221.731   12.246 37.61256 16.37020 
1 1 1  -26   18    2 o   83.815   15.865   20.328   7.3759   23.108   10.269   17.365   10.602   89.426   21.512   78.204   23.324 11.22256 31.72981 
1 1 1  -26   18    3 f  292.819   8.1405  232.953   12.861  247.072   18.821  220.586   17.615  301.105   11.568  284.532   11.457 16.57370 16.28101 
1 1 1  -26   18    4 o  223.170   7.6929  135.876   9.0756  134.189   14.363  136.998   11.710  221.835   11.982  224.506   9.6523 -2.671249 15.38584 
1 1 1  -26   18    5 o  220.311   7.0778  132.281   8.4019  121.389   11.923  143.022   11.841  211.221   10.447  229.402   9.5524 -18.18135 14.15561 
1 1 1  -26   18    6 o  311.697   6.5151  264.602   10.942  252.613   15.852  275.511   15.122  304.859   9.6229  318.535   8.7857 -13.67551 13.03029 
1 1 1  -26   18    7 o  280.927   6.5276  214.650   9.8867  197.285   13.936  232.247   14.029  269.417   9.5723  292.437   8.8776 -23.02017 13.05526 
1 1 1  -26   18    8 o  134.772   10.335   51.361   7.1790   34.152   10.207   68.210   10.099  111.380   16.959  158.164   11.817 -46.78378 20.66957 
1 1 1  -26   18    9 o   78.309   14.668   17.714   6.6877   9.3844   9.6843   25.308   9.2465   62.524   22.483   94.094   18.843 -31.56936 29.33522 
1 1 1  -26   18   10 o   63.394   15.339   9.0163   6.6851   16.349   9.9365   2.9530   9.0358   75.868   22.570   50.920   20.779 24.94769 30.67867 
1 1 1  -26   18   11 o  112.177   11.227   34.274   6.7167   36.570   10.507   32.688   8.7343  115.197   16.880  109.157   14.808 6.039787 22.45433 
1 1 1  -26   18   12 o  113.708   11.118   35.854   6.7205   33.723   10.296   37.436   8.8712  110.538   17.237  116.878   14.046 -6.340683 22.23506 
1 1 1  -26   18   13 o  109.287   12.382   35.731   6.6900   22.496   9.9682   46.577   9.0243   88.076   21.200  130.497   12.797 -42.42165 24.76327 
1 1 1  -26   18   14 o  176.335   8.0640   84.069   7.6121   90.528   11.748   79.395   9.9938  182.031   11.943  170.638   10.838 11.39336 16.12805 
1 1 1  -26   18   15 o   58.204   14.908   5.5917   6.5173   14.631   9.9248  -1.2608   8.6415   72.244   22.766   44.165   19.255 28.07940 29.81654 
1 1 1  -26   18   16 o  239.233   7.0218  158.206   8.9377  138.195   13.290  174.731   12.077  225.006   10.930  253.459   8.8178 -28.45271 14.04366 
1 1 1  -26   18   17 o  219.517   7.2321  131.778   8.5153  128.251   12.747  134.621   11.443  216.722   10.885  222.313   9.5256 -5.591141 14.46430 
1 1 1  -26   18   18 o   67.895   15.422   12.819   6.4159   12.276   9.3887   13.295   8.7879   67.107   22.225   68.684   21.387 -1.576721 30.84408 
1 1 1  -26   18   19 o  222.520   11.387  135.547   13.459  145.315   21.365  129.122   17.329  228.682   17.290  216.359   14.822 12.32298 22.77336 
1 1 1  -26   18   20 o   87.348   18.645   23.218   10.701   3.8671   18.290   33.288   13.195   68.437   28.876  106.258   23.595 -37.82088 37.28980 
1 1 1  -26   18   21 o   41.623   14.331 -23.1975   10.120 -42.7027   18.304 -14.6104   12.145   41.851   20.804   41.395   19.714 0.4561768 28.66129 
1 1 1  -26   18   22 o   53.779   16.138   0.9875   7.7075  -0.6454   9.4010   4.3356   13.462   46.646   20.211   60.911   25.165 -14.26535 32.27634 
1 1 1  -26   18   23 o   65.275   17.069   8.8914   7.8693   5.0380   9.9239   15.419   12.916   55.288   22.054   75.262   26.058 -19.97371 34.13853 
1 1 1  -26   18   24 o  200.840   7.4879  111.502   8.0140  102.977   12.104  118.156   10.694  193.682   11.565  207.997   9.5145 -14.31531 14.97585 
1 1 1  -26   18   25 o  336.650   8.7822  309.258   15.976   0.0000   0.0000  309.258   15.976  ?   ?   336.650   8.7822      ?      ? 
1 1 1  -26   18   26 o  203.814   7.2597  114.195   7.9178  111.090   11.969  116.612   10.558  201.126   11.013  206.501   9.4621 -5.375061 14.51931 
1 1 1  -26   18   27 o  214.697   7.0380  126.656   8.0834  123.373   12.239  129.196   10.765  211.998   10.684  217.396   9.1641 -5.398239 14.07591 
1 1 1  -26   18   28 o  224.849   6.9796  137.520   8.3842  145.158   13.006  132.089   10.967  229.955   10.467  219.743   9.2361 10.21214 13.95912 
1 1 1  -26   18   29 o   63.374   15.390   10.546   6.4165   14.350   9.6420   7.5223   8.5964   70.298   22.470   56.451   21.036 13.84631 30.77998 
1 1 1  -26   18   30 o   61.574   15.332   9.9560   6.1970   11.398   10.057   9.0736   7.8681   64.896   22.957   58.251   20.329 6.645172 30.66387 
1 1 1  -26   18   31 f  202.765   9.6832  112.975   10.610   0.0000   0.0000  112.975   10.610  ?   ?   202.765   9.6832      ?      ? 
1 1 1  -26   18   32 o   61.245   14.412   9.8305   6.3129   0.4521   9.6654   16.808   8.3368   47.738   20.588   74.751   20.172 -27.01237 28.82342 
1 1 1  -26   18   33 o  168.592   7.7765   75.709   6.9401   94.463   11.281   64.289   8.8031  184.649   11.306  152.534   10.680 32.11528 15.55294 
1 1 1  -26   18   34 o  222.734   9.0881  136.439   10.938   0.0000   0.0000  136.439   10.938  ?   ?   222.734   9.0881      ?      ? 
1 1 1  -26   18   35 o  286.973   6.4795  226.166   9.9063  229.703   15.397  223.668   12.940  288.456   9.8779  285.490   8.3882 2.965363 12.95892 
1 1 1  -26   18   36 o   53.115   14.417   3.9086   6.2479   12.717   9.5406  -2.7050   8.2672   65.870   22.410   40.360   18.142 25.51062 28.83303 
1 1 1  -26   18   37 o  111.614   11.679   37.262   6.5709   32.145   10.387   40.676   8.4844  103.069   19.361  120.158   13.067 -17.08846 23.35779 
1 1 1  -26   18   38 o  106.578   12.237   32.895   6.8188   40.505   10.386   27.130   9.0401  118.352   16.240   94.805   18.309 23.54704 24.47358 
1 1 1  -26   18   39 o   54.502   14.932   7.0096   6.3602   3.4822   10.125   9.3086   8.1741   51.325   21.561   57.678   20.665 -6.352737 29.86496 
1 1 1  -26   18   40 o  149.006   9.0433   62.395   7.1821   66.090   11.236   59.842   9.3389  152.216   13.661  145.796   11.854 6.420227 18.08663 
1 1 1  -26   18   41 o  173.456   8.1628   81.794   7.3749   94.797   12.523   74.891   9.1250  182.993   12.665  163.919   10.302 19.07463 16.32559 
1 1 1  -26   18   42 o  161.744   8.7045   74.103   7.4424   74.516   11.803   73.830   9.5890  161.318   13.540  162.169   10.943 -0.8508301 17.40896 
1 1 1  -26   18   43 o   93.008   14.306   27.289   6.7804   28.018   11.236   26.872   8.5031   92.252   22.696   93.763   17.424 -1.511642 28.61279 
1 1 1  -26   18   44 o   89.254   15.011   25.840   7.0326   26.033   11.142   25.713   9.0672   88.174   23.105   90.335   19.168 -2.160896 30.02133 
1 1 1  -26   18   45 o  203.018   8.0839  116.898   8.6404  121.990   13.977  113.749   10.992  205.378   12.595  200.658   10.138 4.720367 16.16777 
1 1 1  -26   18   46 o   67.428   18.037   14.952   8.9469   13.657   11.895   16.640   13.578   65.100   24.642   69.756   26.346 -4.656242 36.07442 
1 1 1  -26   18   47 o   80.975   28.855   24.595   15.917   0.0000   0.0000   24.595   15.917  ?   ?    80.975   28.855      ?      ? 
1 1 1  -26   18   49 o   50.475   22.914   3.2230   13.576   0.0000   0.0000   3.2230   13.576  ?   ?    50.475   22.914      ?      ? 
1 1 1  -26   18   50 o   59.568   16.320   10.482   7.3497   18.360   12.226   6.0235   9.1974   69.134   25.203   50.003   20.741 19.13058 32.64021 
1 1 1  -26   18   51 o   88.963   16.107   29.872   7.6579   31.689   12.219   28.696   9.8273   88.736   24.618   89.190   20.777 -0.4542923 32.21387 
1 1 1  -26   19    1 o  272.180   8.9745  201.459   13.199   0.0000   0.0000  201.459   13.199  ?   ?   272.180   8.9745      ?      ? 
1 1 1  -26   19    2 o  164.103   8.3948   73.848   7.4105   70.099   10.833   77.145   10.160  160.071   12.524  168.135   11.182 -8.063736 16.78955 
1 1 1  -26   19    3 o   58.290   14.654   6.6912   6.4130  -1.1352   9.1594   14.217   8.9818   45.685   19.872   70.896   21.542 -25.21085 29.30756 
1 1 1  -26   19    4 o  163.823   8.3759   73.163   7.4035   76.214   10.839   70.496   10.136  166.991   12.012  160.655   11.676 6.335587 16.75183 
1 1 1  -26   19    5 o  116.077   11.432   38.617   6.7616   29.003   9.8048   47.335   9.3370  100.705   18.706  131.450   13.145 -30.74512 22.86306 
1 1 1  -26   19    6 o  107.424   11.530   31.903   6.6775   34.263   9.4272   29.527   9.4596  111.507   15.646  103.341   16.940 8.166458 23.05964 
1 1 1  -26   19    7 o  167.010   8.2593   76.127   7.4489   78.438   10.773   74.010   10.311  169.422   11.768  164.597   11.592 4.824997 16.51860 
1 1 1  -26   19    8 o   99.630   13.107   28.344   6.7876   29.567   9.9193   27.266   9.3081  101.639   18.751   97.621   18.318 4.017967 26.21390 
1 1 1  -26   19    9 o  148.030   9.3237   59.400   7.3913   71.848   11.063   49.362   9.9340  161.968   12.640  134.092   13.710 27.87613 18.64737 
1 1 1  -26   19   10 o   43.140   13.615  -3.2512   6.4300  -2.8887   9.5672  -3.5498   8.6837   44.676   19.836   41.604   18.655 3.072224 27.23033 
1 1 1  -26   19   11 o   80.878   15.079   18.768   6.6621   21.875   10.083   16.361   8.8751   86.543   21.624   75.213   21.022 11.32999 30.15785 
1 1 1  -26   19   12 o  158.450   8.8216   68.829   7.4683   68.587   11.435   69.008   9.8625  158.039   13.390  158.861   11.489 -0.8223724 17.64320 
1 1 1  -26   19   13 o  266.971   6.8173  194.130   9.7634  195.130   14.736  193.348   13.035  267.447   10.197  266.495   9.0517 0.9520264 13.63469 
1 1 1  -26   19   14 o  110.445   12.506   33.853   7.1545   44.415   10.818   25.643   9.5380  126.724   15.799   94.166   19.391 32.55795 25.01180 
1 1 1  -26   19   15 o   50.886   14.601   1.6667   6.4690   8.1013   9.8588  -3.1982   8.5725   60.156   22.506   41.616   18.607 18.54051 29.20132 
1 1 1  -26   19   16 o  155.840   9.0418   67.405   7.4803   62.180   11.441   71.306   9.8861  150.242   14.092  161.438   11.333 -11.19582 18.08358 
1 1 1  -26   19   17 f  247.592   10.484  180.103   11.472  149.977   23.560  189.466   13.135  231.501   18.834  263.684   9.2182 -32.18326 20.96851 
1 1 1  -26   19   18 o   75.982   19.137   5.7592   10.830   32.162   18.686  -7.5968   13.290  102.943   31.025   49.022   22.415 53.92047 38.27480 
1 1 1  -26   19   19 o  139.395   18.150   59.725   12.429   49.122   21.100   65.360   15.381  126.096   31.149  152.695   18.641 -26.59943 36.30061 
1 1 1  -26   19   20 o  141.133   10.043   55.559   7.5780   50.352   11.206   59.947   10.287  134.706   15.395  147.561   12.901 -12.85535 20.08565 
1 1 1  -26   19   21 o   63.392   18.471   5.0108   7.9102   10.450   19.614   3.9542   8.6443   75.806   30.735   50.978   20.497 24.82749 36.94275 
1 1 1  -26   19   22 o  219.621   11.234  145.103   10.403  117.185   22.469  152.721   11.737  202.786   20.504  236.455   9.1860 -33.66902 22.46809 
1 1 1  -26   19   23 o  164.500   10.522   73.676   8.9708   69.777   11.084   81.081   15.275  158.920   12.907  170.079   16.620 -11.15895 21.04309 
1 1 1  -26   19   24 o  120.694   10.973   40.557   7.0979   47.992   10.347   33.948   9.7554  131.342   14.578  110.045   16.405 21.29774 21.94691 
1 1 1  -26   19   25 o   57.231   14.885   7.6672   6.2467   3.3851   9.4377   11.006   8.3335   51.540   21.158   62.922   20.944 -11.38190 29.77066 
1 1 1  -26   19   26 o  131.852   9.6398   48.073   6.8372   50.509   10.257   46.124   9.1722  134.722   14.089  128.982   13.160 5.740555 19.27953 
1 1 1  -26   19   27 o  146.609   9.1864   59.645   7.1208   59.703   11.289   59.607   9.1767  146.262   14.283  146.956   11.556 -0.6936035 18.37279 
1 1 1  -26   19   28 o  107.571   12.264   34.071   6.7621   28.851   10.250   38.094   8.9982   98.465   19.948  116.677   14.272 -18.21288 24.52734 
1 1 1  -26   19   29 o   36.575   12.229  -9.2143   6.3577 -12.8302   9.9617  -6.7292   8.2582   36.526   17.519   36.624   17.068 -0.9790421E-01 24.45841 
1 1 1  -26   19   30 o  285.105   6.5024  222.603   9.9501  227.739   15.038  218.604   13.270  287.785   9.6704  282.426   8.6953 5.358887 13.00476 
1 1 1  -26   19   31 o  139.398   9.3780   54.592   6.9229   53.170   10.836   55.573   8.9988  137.349   14.601  141.446   11.773 -4.097092 18.75609 
1 1 1  -26   19   32 o  127.419   10.688   48.540   6.9163   34.832   10.647   58.547   9.0971  109.748   17.953  145.089   11.603 -35.34042 21.37617 
1 1 1  -26   19   33 o  146.998   11.654   60.153   9.2569   0.0000   0.0000   60.153   9.2569  ?   ?   146.998   11.654      ?      ? 
1 1 1  -26   19   34 o   43.109   13.456  -2.0378   6.3818  -9.4676   10.279   2.6219   8.1406   39.378   18.570   46.840   19.478 -7.462162 26.91179 
1 1 1  -26   19   35 o   52.061   14.565   5.0041   6.3804  -0.9805   9.9295   9.2130   8.3270   46.062   20.341   58.059   20.851 -11.99650 29.12997 
1 1 1  -26   19   36 o   99.027   12.676   27.574   6.4458   46.164   10.303   15.617   8.2626  126.979   15.016   71.075   20.428 55.90369 25.35285 
1 1 1  -26   19   37 o   41.088   13.254  -3.8772   6.4781  -5.1556   9.9459  -2.9352   8.5375   41.714   19.190   40.461   18.288 1.253311 26.50873 
1 1 1  -26   19   38 o   43.255   13.461  -4.6874   6.4904   5.9541   9.8692 -12.7972   8.6156   54.082   21.846   32.429   15.734 21.65244 26.92217 
1 1 1  -26   19   39 o   63.221   15.708   11.282   6.5326   15.146   10.543   8.8738   8.3228   69.594   23.558   56.848   20.784 12.74618 31.41599 
1 1 1  -26   19   40 o   51.998   15.032   5.0634   6.7085   1.5587   11.015   7.1297   8.4580   50.279   21.831   53.718   20.672 -3.439259 30.06493 
1 1 1  -26   19   41 o  110.101   12.026   35.043   6.9588   40.453   11.519   31.933   8.7324  115.738   18.418  104.464   15.470 11.27349 24.05265 
1 1 1  -26   19   42 o   57.138   15.238   8.6133   6.8169   1.8987   10.692   13.213   8.8487   49.567   21.515   64.709   21.584 -15.14106 30.47531 
1 1 1  -26   19   43 o   67.551   16.180   15.139   6.9244   14.875   11.381   15.294   8.7252   67.038   24.335   68.063   21.329 -1.025330 32.35973 
1 1 1  -26   19   44 o  102.585   14.072   32.381   7.5517   45.383   12.004   23.865   9.7148  120.820   18.387   84.350   21.307 36.46945 28.14382 
1 1 1  -26   19   45 o   83.734   17.375   18.647   10.245   48.919   16.311  -1.0788   13.167  117.440   26.351   50.028   22.653 67.41276 34.74940 
1 1 1  -26   19   48 o   34.766   12.311 -26.4809   8.9843 -35.0528   11.731 -14.3198   13.973   28.945   14.677   40.587   19.771 -11.64227 24.62280 
1 1 1  -26   19   49 o  102.623   15.088   36.291   7.9349   39.795   12.740   34.069   10.142  104.571   23.157  100.675   19.346 3.895088 30.17511 
1 1 1  -26   19   50 o   59.253   16.130   13.275   7.6484   7.5301   11.521   17.803   10.227   51.930   22.437   66.576   23.180 -14.64628 32.26021 
1 1 1  -26   20    1 o  171.170   8.1362   79.684   7.4930   85.284   11.249   75.218   10.046  176.488   11.795  165.852   11.210 10.63585 16.27233 
1 1 1  -26   20    2 o  229.718   9.7649  143.883   12.121   0.0000   0.0000  143.883   12.121  ?   ?   229.718   9.7649      ?      ? 
1 1 1  -26   20    3 o  164.927   8.4102   74.519   7.4883   73.734   10.791   75.249   10.400  164.035   12.174  165.818   11.607 -1.782974 16.82047 
1 1 1  -26   20    4 o  267.552   6.7723  195.114   9.7883  195.016   14.010  195.208   13.682  267.458   9.6937  267.646   9.4599 -0.1882629 13.54462 
1 1 1  -26   20    5 o  147.303   9.2706   59.576   7.3756   59.036   10.254   60.155   10.616  146.642   12.941  147.963   13.278 -1.321198 18.54112 
1 1 1  -26   20    6 o  300.208   9.1751  245.482   14.884   0.0000   0.0000  245.482   14.884  ?   ?   300.208   9.1751      ?      ? 
1 1 1  -26   20    7 o  255.065   6.8640  177.283   9.4572  181.088   13.599  173.719   13.161  257.700   9.7656  252.430   9.6484 5.270309 13.72801 
1 1 1  -26   20    8 o  238.896   7.0757  154.978   9.1122  169.500   13.403  142.496   12.426  249.267   9.9503  228.525   10.062 20.74202 14.15140 
1 1 1  -26   20    9 o  138.397   9.6453   52.909   7.1783   49.967   10.489   55.500   9.8450  134.617   14.419  142.176   12.814 -7.558792 19.29058 
1 1 1  -26   20   10 o   71.592   15.750   14.589   6.7398   13.860   9.9197   15.214   9.1855   70.452   22.820   72.733   21.714 -2.280800 31.50026 
1 1 1  -26   20   11 o  113.081   11.733   35.433   7.1612   37.343   10.426   33.727   9.8535  115.950   16.640  110.212   16.545 5.738533 23.46556 
1 1 1  -26   20   12 o  218.052   7.5312  129.570   8.8292  133.740   13.251  126.240   11.840  221.092   11.092  215.013   10.191 6.078873 15.06250 
1 1 1  -26   20   13 o   78.110   15.296   18.132   6.9185   11.784   10.379   23.208   9.2810   66.975   23.350   89.245   19.766 -22.27010 30.59291 
1 1 1  -26   20   14 o  282.702   8.8545  217.763   13.526   0.0000   0.0000  217.763   13.526  ?   ?   282.702   8.8545      ?      ? 
1 1 1  -26   20   15 o   58.290   15.572   5.5293   6.8934   13.320   10.895   0.3289   8.9015   70.025   23.948   46.554   19.911 23.47110 31.14419 
1 1 1  -26   20   16 o   66.559   20.205   1.2393   11.866   9.1036   22.287  -1.8718   14.018   77.857   32.291   55.262   24.296 22.59506 40.40999 
1 1 1  -26   20   17 o  195.128   14.012  112.604   13.933   89.775   22.286  127.252   17.852  176.385   23.382  213.871   15.447 -37.48633 28.02382 
1 1 1  -26   20   18 o   64.884   17.713   9.2020   8.5141   10.042   10.418   7.5135   14.773   63.620   23.255   66.147   26.724 -2.526699 35.42558 
1 1 1  -26   20   19 o  200.983   7.5659  111.270   8.1482  106.955   12.201  114.743   10.947  197.231   11.448  204.735   9.8953 -7.504105 15.13182 
1 1 1  -26   20   20 f   35.042   11.850 -11.7041   6.3746 -15.2962   9.5618  -8.8302   8.5526   34.166   16.577   35.917   16.938 -1.750561 23.69984 
1 1 1  -26   20   21 o   92.951   14.525   25.469   7.0679   26.778   10.623   24.430   9.4674   94.892   21.246   91.011   19.813 3.881439 29.05087 
1 1 1  -26   20   22 o  135.524   16.276   60.990   9.0063   42.793   19.120   66.179   10.210  116.218   30.178  154.831   12.203 -38.61327 32.55242 
1 1 1  -26   20   23 o   44.270   14.000  -3.1591   6.6937  -1.1772   10.734  -4.4201   8.5623   48.653   21.329   39.888   18.142 8.764736 28.00095 
1 1 1  -26   20   24 o  197.987   9.7642  109.719   10.035  111.259   12.620  107.072   16.547  200.743   11.634  195.230   15.685 5.513184 19.52846 
1 1 1  -26   20   25 o  175.307   11.420   84.915   10.818   0.0000   0.0000   84.915   10.818  ?   ?   175.307   11.420      ?      ? 
1 1 1  -26   20   26 o  212.708   9.9856  124.476   11.477   0.0000   0.0000  124.476   11.477  ?   ?   212.708   9.9856      ?      ? 
1 1 1  -26   20   27 o  195.298   7.9194  106.168   8.2258  101.164   12.631  109.853   10.839  190.836   12.249  199.760   10.042 -8.924789 15.83875 
1 1 1  -26   20   28 o   79.276   14.477   18.227   6.7785   30.048   10.008   8.2070   9.2137  100.555   19.117   57.996   21.745 42.55840 28.95381 
1 1 1  -26   20   29 o   85.778   13.801   22.656   6.4324   16.006   9.6865   27.902   8.6032   72.603   22.428   98.954   16.089 -26.35043 27.60260 
1 1 1  -26   20   30 o   80.515   15.353   20.218   6.8282   18.025   10.543   21.802   8.9618   76.354   23.368   84.676   19.919 -8.321541 30.70544 
1 1 1  -26   20   31 o  103.533   12.418   30.798   6.6979   39.455   10.163   24.151   8.9056  117.505   16.006   89.560   18.991 27.94489 24.83629 
1 1 1  -26   20   32 o   90.254   13.813   25.998   6.7367   14.988   10.186   34.561   8.9820   70.324   23.142  110.184   15.086 -39.85983 27.62524 
1 1 1  -26   20   33 o   86.040   14.868   23.100   6.8141   22.026   10.443   23.897   8.9921   83.543   22.590   88.537   19.337 -4.994324 29.73591 
1 1 1  -26   20   34 o  104.782   12.825   33.089   6.9233   30.125   10.672   35.243   9.0972   98.707   20.672  110.857   15.186 -12.15006 25.65034 
1 1 1  -26   20   35 o  126.663   10.548   44.538   7.0719   59.430   11.091   34.336   9.1800  144.258   14.228  109.069   15.576 35.18833 21.09639 
1 1 1  -26   20   36 o   69.602   16.073   14.618   6.7910   18.347   11.104   12.390   8.5835   75.375   24.115   63.829   21.256 11.54613 32.14615 
1 1 1  -26   20   37 o   44.543   13.535  -2.9986   6.7490 -16.3806   10.282   7.1298   8.9455   34.530   16.851   54.556   21.185 -20.02561 27.06944 
1 1 1  -26   20   38 o   59.198   15.626   9.3239   6.5862   11.732   10.537   7.7798   8.4372   63.531   23.362   54.864   20.757 8.666603 31.25138 
1 1 1  -26   20   39 o   99.833   13.522   30.328   6.9031   34.492   11.074   27.682   8.8283  104.627   20.320   95.039   17.846 9.587112 27.04366 
1 1 1  -26   20   40 o   93.264   14.247   29.646   7.1403   16.904   11.171   38.448   9.2845   71.678   24.250  114.849   14.960 -43.17067 28.49356 
1 1 1  -26   20   41 f   48.452   14.703   2.7915   6.8074   1.3472   10.999   3.6881   8.6666   49.042   21.543   47.862   20.017 1.180424 29.40668 
1 1 1  -26   20   42 o  213.786   7.9497  129.457   9.0860  137.673   14.061  123.567   11.905  218.883   11.888  208.689   10.557 10.19373 15.89935 
1 1 1  -26   20   43 o   81.788   17.519   21.911   8.8890   11.903   11.600   36.149   13.835   62.503   24.165  101.073   25.370 -38.56992 35.03720 
1 1 1  -26   20   44 o  117.675   17.948   48.602   11.053   43.604   16.391   52.770   14.969  109.212   27.725  126.139   22.801 -16.92691 35.89643 
1 1 1  -26   20   46 f   37.244   18.512 -22.9955   14.474   0.0000   0.0000 -22.9955   14.474  ?   ?    37.244   18.512      ?      ? 
1 1 1  -26   20   47 o  103.855   14.510   40.135   8.0690   18.825   12.030   57.563   10.879   69.972   25.070  137.739   14.617 -67.76710 29.01958 
1 1 1  -26   20   48 o   60.490   15.612   10.176   7.3411   24.893   11.577   0.2797   9.4938   78.383   24.570   42.598   19.267 35.78490 31.22379 
1 1 1  -26   21    1 f  145.953   9.2438   58.832   7.2549   56.782   10.687   60.584   9.8802  143.432   13.789  148.474   12.315 -5.041931 18.48752 
1 1 1  -26   21    2 o  152.336   8.9498   63.766   7.3525   69.503   10.574   58.396   10.231  159.037   12.304  145.635   13.000 13.40237 17.89966 
1 1 1  -26   21    3 o  296.020   9.2589  239.038   14.810   0.0000   0.0000  239.038   14.810  ?   ?   296.020   9.2589      ?      ? 
1 1 1  -26   21    4 o  171.041   8.6533   80.653   7.9520   77.379   11.747   83.421   10.804  167.652   12.967  174.429   11.462 -6.776749 17.30662 
1 1 1  -26   21    5 o   94.898   13.307   26.427   6.6724   15.160   9.3452   38.144   9.5298   72.468   21.963  117.328   15.031 -44.86005 26.61406 
1 1 1  -26   21    6 o   49.048   14.727   0.7433   6.8002   2.8157   10.036  -1.0156   9.2461   52.368   21.690   45.729   19.927 6.638939 29.45407 
1 1 1  -26   21    7 o  138.512   9.7787   53.115   7.2972   50.698   10.575   55.313   10.082  135.357   14.459  141.668   13.170 -6.311050 19.55747 
1 1 1  -26   21    8 o  175.786   11.010   84.679   10.458   0.0000   0.0000   84.679   10.458  ?   ?   175.786   11.010      ?      ? 
1 1 1  -26   21    9 o  181.524   8.0808   91.114   7.8593   79.495   11.291  102.034   10.946  169.991   12.292  193.056   10.493 -23.06532 16.16166 
1 1 1  -26   21   10 o  119.792   10.810   39.955   6.9781   38.863   10.164   40.929   9.5971  118.097   15.928  121.486   14.619 -3.388596 21.61971 
1 1 1  -26   21   11 o  191.833   7.9818  102.516   8.1472   88.043   12.007  114.866   11.091  178.775   12.429  204.891   10.018 -26.11537 15.96358 
1 1 1  -26   21   12 o  178.270   8.1533   87.085   7.8424   92.958   11.460   81.912   10.755  183.906   11.532  172.635   11.529 11.27139 16.30662 
1 1 1  -26   21   13 o   38.947   12.921  -9.7232   6.9084  -5.9924   10.019 -13.1048   9.5386   42.365   19.404   35.528   17.067 6.837879 25.84231 
1 1 1  -26   21   14 o   87.241   22.372   20.126   12.815   26.599   22.975   17.203   15.440   95.284   34.578   79.198   28.399 16.08652 44.74471 
1 1 1  -26   21   15 o   89.191   20.389   24.808   11.906   9.6104   20.829   32.185   14.511   75.846   31.317  102.536   26.117 -26.68969 40.77796 
1 1 1  -26   21   16 o  115.949   19.866   45.430   12.665   25.248   22.278   55.068   15.395   93.178   34.013  138.720   20.537 -45.54246 39.73249 
1 1 1  -26   21   17 f  165.882   8.5486   76.059   7.6056   74.541   11.406   77.275   10.206  164.165   12.858  167.599   11.269 -3.433853 17.09720 
1 1 1  -26   21   18 o  114.979   12.293   39.207   7.0232   24.570   9.9771   53.583   9.8882   90.888   20.769  139.069   13.158 -48.18161 24.58615 
1 1 1  -26   21   19 o  147.408   9.5261   60.776   7.4986   56.858   11.277   63.881   10.040  142.767   14.617  152.050   12.220 -9.282715 19.05212 
1 1 1  -26   21   20 o  100.501   12.815   29.250   6.7774   27.435   9.8694   30.869   9.3233   96.351   19.623  104.650   16.487 -8.298981 25.62949 
1 1 1  -26   21   21 o   53.358   15.217   4.6724   6.7418   5.1066   9.9453   4.3032   9.1705   54.664   21.983   52.052   21.047 2.612492 30.43359 
1 1 1  -26   21   22 o  265.293   7.0121  194.915   9.9578  180.568   14.784  206.829   13.472  255.920   10.691  274.667   9.0770 -18.74622 14.02419 
1 1 1  -26   21   23 o  132.316   16.524   52.328   8.8888   53.288   20.576   52.107   9.8559  127.988   30.232  136.643   13.348 -8.654778 33.04803 
1 1 1  -26   21   24 o   56.593   15.712   6.4943   6.9985   8.0209   10.427   5.2429   9.4409   59.474   22.934   53.712   21.482 5.761295 31.42362 
1 1 1  -26   21   25 o  139.102   13.268   60.689   8.8050   72.984   11.285   41.554   14.078  161.732   12.912  116.473   23.183 45.25896 26.53664 
1 1 1  -26   21   26 o  159.975   8.9295   71.710   7.6836   68.049   11.224   74.939   10.541  155.822   13.330  164.127   11.885 -8.304489 17.85897 
1 1 1  -26   21   27 o   91.598   13.875   25.499   6.6369   23.765   9.8715   26.929   8.9656   88.023   21.040   95.173   18.095 -7.149658 27.75058 
1 1 1  -26   21   28 o   78.158   15.656   19.099   6.9486   16.388   10.621   21.128   9.1876   73.252   23.601   83.064   20.576 -9.811249 31.31111 
1 1 1  -26   21   29 o   89.181   13.797   21.769   6.8309   39.513   11.012   10.673   8.7087  116.916   17.431   61.446   21.390 55.47039 27.59313 
1 1 1  -26   21   30 o  170.784   8.3396   80.937   7.6554   86.684   11.565   76.456   10.213  175.965   12.163  165.603   11.413 10.36137 16.67925 
1 1 1  -26   21   31 o  104.654   13.193   32.182   7.2638   37.693   11.022   27.950   9.6579  113.464   17.977   95.844   19.315 17.62051 26.38624 
1 1 1  -26   21   32 o  223.421   7.2732  138.198   8.6910  142.513   13.356  135.029   11.445  226.028   10.936  220.815   9.5922 5.213257 14.54633 
1 1 1  -26   21   33 o   59.985   15.679   9.5956   6.6043   11.945   10.557   8.0849   8.4653   64.273   23.421   55.696   20.851 8.576118 31.35825 
1 1 1  -26   21   34 o  132.281   10.392   49.338   7.3525   57.976   11.422   43.228   9.6075  141.860   14.901  122.702   14.490 19.15814 20.78439 
1 1 1  -26   21   35 o  130.441   10.748   50.179   7.3423   43.364   11.337   55.102   9.6363  121.420   17.279  139.463   12.787 -18.04311 21.49562 
1 1 1  -26   21   36 o   65.507   15.887   11.905   6.8129   19.170   10.959   7.3289   8.6977   76.627   23.887   54.387   20.953 22.24047 31.77482 
1 1 1  -26   21   37 o   50.109   14.970   3.4021   7.0001   0.2355   10.994   5.5615   9.0783   48.461   21.402   51.757   20.936 -3.296459 29.93929 
1 1 1  -26   21   38 o  114.495   12.564   39.960   7.4810   37.402   11.262   41.980   10.008  109.282   19.800  119.708   15.472 -10.42607 25.12826 
1 1 1  -26   21   39 o   45.668   14.384  -0.6927   6.9711   2.0198   11.272  -2.3726   8.8709   50.278   21.953   41.057   18.592 9.221470 28.76850 
1 1 1  -26   21   40 o   61.162   15.880   11.833   6.7817   11.864   10.937   11.813   8.6438   61.637   23.558   60.686   21.300 0.9508171 31.75946 
1 1 1  -26   21   41 o   74.588   18.524   19.604   9.1143   18.067   11.774   21.903   14.398   72.021   24.882   77.154   27.449 -5.133751 37.04839 
1 1 1  -26   21   42 o  211.863   11.118  133.551   12.717  128.243   18.048  138.784   17.922  207.185   16.120  216.541   15.316 -9.356277 22.23632 
1 1 1  -26   21   43 o  107.367   28.465   44.144   16.783   0.0000   0.0000   44.144   16.783  ?   ?   107.367   28.465      ?      ? 
1 1 1  -26   21   44 f   47.275   22.171  -2.5811   14.302   0.0000   0.0000  -2.5811   14.302  ?   ?    47.275   22.171      ?      ? 
1 1 1  -26   21   45 o  132.383   18.885   70.201   12.354   59.482   21.335   75.608   15.154  112.091   33.002  152.675   18.368 -40.58408 37.76955 
1 1 1  -26   21   46 o   49.406   15.060   4.5126   7.4952  -0.1889   11.213   8.3099   10.077   45.391   20.690   53.421   21.889 -8.029762 30.11957 
1 1 1  -26   21   47 o   69.245   16.534   18.627   7.3874   25.670   11.474   13.641   9.6547   78.711   24.426   59.780   22.290 18.93101 33.06764 
1 1 1  -26   22    1 o  136.693   9.5948   51.883   7.0648   53.428   9.7096   50.145   10.299  139.018   12.925  134.369   14.184 4.649155 19.18962 
1 1 1  -26   22    2 o  120.056   10.347   39.885   6.6944   36.859   9.0878   43.475   9.8987  115.110   14.610  125.003   14.655 -9.893188 20.69335 
1 1 1  -26   22    3 o  167.203   8.2297   76.941   7.4343   76.403   10.403   77.502   10.628  166.628   11.554  167.778   11.722 -1.150162 16.45941 
1 1 1  -26   22    4 o  174.556   11.518   83.838   10.864   0.0000   0.0000   83.838   10.864  ?   ?   174.556   11.518      ?      ? 
1 1 1  -26   22    5 o  128.001   10.410   45.684   7.1852   43.652   10.334   47.585   9.9969  125.095   15.288  130.908   14.132 -5.813232 20.81954 
1 1 1  -26   22    6 o  113.941   12.367   37.302   7.2871   35.288   11.252   38.756   9.5635  109.950   19.661  117.933   15.007 -7.982208 24.73377 
1 1 1  -26   22    7 o   65.541   14.874   10.750   7.0784  -2.1230   10.749   20.608   9.4060   47.826   21.140   83.256   20.930 -35.43003 29.74833 
1 1 1  -26   22    8 o   95.496   13.547   26.706   6.7331   26.774   9.8829   26.648   9.1980   95.380   19.822   95.612   18.471 -0.2327347 27.09468 
1 1 1  -26   22    9 o  132.255   14.303   48.634   10.222   0.0000   0.0000   48.634   10.222  ?   ?   132.255   14.303      ?      ? 
1 1 1  -26   22   10 o   65.572   15.644   11.393   6.8044   16.472   9.7527   6.5745   9.4982   74.707   22.391   56.438   21.853 18.26997 31.28780 
1 1 1  -26   22   11 o  115.932   12.473   39.170   7.4229   30.499   10.712   47.181   10.296  101.733   20.198  130.132   14.641 -28.39917 24.94663 
1 1 1  -26   22   12 o  120.753   20.353   50.280   13.888   24.032   23.475   64.414   17.226   92.043   34.671  149.463   21.329 -57.41995 40.70618 
1 1 1  -26   22   13 o   92.100   20.634   27.213   12.563   8.6554   21.783   36.464   15.379   75.571   31.679  108.629   26.448 -33.05784 41.26795 
1 1 1  -26   22   14 o   87.735   21.348   18.639   12.245   37.905   21.058   8.7950   15.052  108.037   33.019   67.432   27.070 40.60526 42.69662 
1 1 1  -26   22   15 o   48.748   14.686   0.2802   6.9184   4.6317   10.080  -3.5955   9.5129   54.342   22.033   43.155   19.424 11.18725 29.37230 
1 1 1  -26   22   16 o   55.851   15.228   6.0235   6.7736   0.9015   9.8531   10.613   9.3272   48.916   20.936   62.786   22.119 -13.87008 30.45585 
1 1 1  -26   22   17 f   74.678   15.667   16.234   6.9222   22.046   10.270   11.395   9.3708   85.194   22.115   64.162   22.197 21.03194 31.33299 
1 1 1  -26   22   18 f   85.344   14.624   21.737   6.6797   25.578   9.9131   18.543   9.0402   92.307   20.416   78.382   20.944 13.92535 29.24838 
1 1 1  -26   22   19 o  177.983   8.7456   86.495   8.3356  100.476   12.867   76.384   10.942  190.099   12.526  165.867   12.208 24.23213 17.49116 
1 1 1  -26   22   20 o   87.725   14.888   22.929   7.0642   30.555   10.512   16.648   9.5394  101.181   19.935   74.269   22.119 26.91227 29.77688 
1 1 1  -26   22   21 o   60.994   15.937   9.0101   7.0249   12.931   10.420   5.7432   9.5116   67.466   23.403   54.523   21.641 12.94309 31.87492 
1 1 1  -26   22   22 o  171.338   8.4071   81.464   7.7727   84.094   11.360   79.149   10.658  173.851   12.093  168.825   11.683 5.026047 16.81415 
1 1 1  -26   22   23 o   57.222   14.494   2.9857   6.8262   18.557   10.458  -8.5721   9.0102   77.502   23.177   36.943   17.411 40.55870 28.98826 
1 1 1  -26   22   24 o   53.366   17.019  -0.6210   8.5910  -7.1036   19.906   0.8629   9.5237   59.159   27.190   47.573   20.477 11.58625 34.03853 
1 1 1  -26   22   25 o   71.356   15.872   13.789   7.1503   23.882   11.180   6.8040   9.3011   87.266   23.280   55.447   21.582 31.81912 31.74476 
1 1 1  -26   22   26 o  122.184   14.587   42.683   8.9885   38.039   10.980   52.117   15.651  114.576   17.734  129.793   23.165 -15.21666 29.17372 
1 1 1  -26   22   27 o   52.677   15.228   4.2002   6.8329   7.3835   10.552   1.9011   8.9670   57.867   22.849   47.486   20.137 10.38073 30.45602 
1 1 1  -26   22   28 o   60.604   15.973   9.7749   6.9896   9.5340   10.458   9.9694   9.3969   60.795   23.083   60.414   22.085 0.3806801 31.94631 
1 1 1  -26   22   29 o  132.713   10.354   50.098   7.3700   52.114   11.201   48.560   9.7868  134.678   15.392  130.747   13.852 3.930450 20.70713 
1 1 1  -26   22   30 o   80.651   15.948   19.898   7.2071   26.753   11.364   15.286   9.3213   91.302   23.035   69.999   22.063 21.30259 31.89695 
1 1 1  -26   22   31 o   78.361   15.980   19.112   7.1714   24.980   10.997   14.769   9.4597   87.967   22.908   68.756   22.286 19.21041 31.95997 
1 1 1  -26   22   32 o   43.766   13.674  -5.5756   6.7737   6.2800   10.356 -14.4392   8.9547   55.224   22.353   32.307   15.757 22.91723 27.34877 
1 1 1  -26   22   33 o   68.782   16.199   14.564   6.9455   16.171   10.986   13.494   8.9640   71.448   24.050   66.115   21.708 5.333595 32.39798 
1 1 1  -26   22   34 o   64.939   15.648   11.457   6.9103   20.335   10.637   4.9743   9.0896   78.727   23.336   51.150   20.853 27.57756 31.29628 
1 1 1  -26   22   35 o   52.650   15.321   4.0096   7.0433   10.309   11.096  -0.2411   9.1151   61.090   23.630   44.210   19.508 16.88021 30.64210 
1 1 1  -26   22   36 o   94.798   14.901   28.677   7.3850   30.508   11.238   27.286   9.7976   96.866   21.974   92.729   20.131 4.137032 29.80119 
1 1 1  -26   22   37 o  158.986   9.2480   71.883   7.8804   81.550   12.126   64.816   10.368  167.880   13.367  150.092   12.784 17.78769 18.49602 
1 1 1  -26   22   38 o   69.732   16.454   16.850   7.3224   14.712   11.269   18.413   9.6332   66.145   24.184   73.318   22.316 -7.173927 32.90717 
1 1 1  -26   22   39 o  129.119   13.990   50.994   9.5956   44.100   12.271   61.847   15.395  118.844   19.108  139.394   20.438 -20.55017 27.97906 
1 1 1  -26   22   40 o   92.102   19.364   31.476   10.437   34.459   14.203   27.973   15.390   98.036   26.276   86.168   28.451 11.86856 38.72832 
1 1 1  -26   22   41 o   64.673   18.395   12.632   9.9555   16.982   14.266   8.5023   13.900   69.815   26.852   59.531   25.148 10.28421 36.78941 
1 1 1  -26   22   42 o   47.725   22.473  -3.5180   14.955   0.0000   0.0000  -3.5180   14.955  ?   ?    47.725   22.473      ?      ? 
1 1 1  -26   22   43 o   36.574   13.119 -35.4446   11.166 -38.7838   20.476 -34.0315   13.320   41.049   20.638   32.098   16.202 8.950878 26.23752 
1 1 1  -26   22   44 o  123.031   23.684   54.887   15.174   0.0000   0.0000   54.887   15.174  ?   ?   123.031   23.684      ?      ? 
1 1 1  -26   22   45 o   50.773   15.457   6.7419   7.6824   5.3268   11.686   7.8191   10.195   49.973   22.068   51.573   21.649 -1.599697 30.91368 
1 1 1  -26   23    1 o   64.379   15.746   11.118   6.8148   14.857   9.6439   7.3879   9.6311   71.104   22.445   57.654   22.089 13.45072 31.49173 
1 1 1  -26   23    2 o  231.841   10.291  147.755   12.893   0.0000   0.0000  147.755   12.893  ?   ?   231.841   10.291      ?      ? 
1 1 1  -26   23    3 o  204.756   7.9013  115.654   8.7330  114.192   12.594  117.008   12.120  203.403   11.459  206.109   10.882 -2.706055 15.80261 
1 1 1  -26   23    4 o   56.818   15.187   6.8445   6.6050   11.108   9.2483   2.4059   9.4364   63.669   22.050   49.967   20.891 13.70216 30.37495 
1 1 1  -26   23    5 o   53.546   15.180   4.5277   6.8375   0.6223   10.024   7.9264   9.3508   48.969   21.042   58.124   21.884 -9.154507 30.35903 
1 1 1  -26   23    6 o   40.905   12.982  -7.5674   6.5306 -18.0182   9.2301   2.9084   9.2411   31.590   15.529   50.220   20.808 -18.63001 25.96367 
1 1 1  -26   23    7 o   65.981   15.475   12.358   6.4952   10.103   9.3086   14.498   9.0672   61.822   22.063   70.141   21.705 -8.319523 30.94950 
1 1 1  -26   23    8 o   62.592   15.643   10.323   6.6587   13.035   9.6175   7.8260   9.2282   67.485   22.501   57.699   21.737 9.785397 31.28609 
1 1 1  -26   23    9 o   41.088   13.279  -6.6906   6.6899  -0.5934   9.9409 -11.7377   9.0445   47.278   20.631   34.897   16.726 12.38175 26.55884 
1 1 1  -26   23   10 o  103.877   22.483   36.743   13.731   26.194   25.926   40.856   16.187   93.718   36.156  114.036   26.734 -20.31718 44.96620 
1 1 1  -26   23   11 o   78.359   22.162   7.6673   13.889   31.712   24.855  -3.2500   16.748   98.868   35.952   57.850   25.926 41.01794 44.32489 
1 1 1  -26   23   12 o  209.248   14.610  131.749   15.796  106.847   24.538  149.369   20.641  189.125   24.011  229.372   16.653 -40.24693 29.22051 
1 1 1  -26   23   13 o  104.197   13.545   32.427   7.3315   24.643   10.552   39.692   10.194   89.940   21.913  118.454   15.926 -28.51479 27.08921 
1 1 1  -26   23   14 o  110.780   12.091   34.751   7.2156   38.312   10.696   31.777   9.7748  115.965   17.069  105.594   17.131 10.37115 24.18295 
1 1 1  -26   23   15 o  113.831   11.739   36.913   7.1889   33.025   10.143   40.837   10.191  107.495   17.461  120.168   15.694 -12.67255 23.47752 
1 1 1  -26   23   16 o  108.862   12.437   34.133   7.1418   38.197   10.512   30.648   9.7330  115.771   16.803  101.952   18.341 13.81905 24.87486 
1 1 1  -26   23   17 o   92.924   14.265   26.465   7.0966   19.381   10.533   32.355   9.6037   79.359   23.138  106.490   16.689 -27.13138 28.52916 
1 1 1  -26   23   18 f  116.926   12.066   39.482   7.5529   36.208   11.129   42.277   10.284  111.845   18.414  122.008   15.599 -10.16312 24.13262 
1 1 1  -26   23   19 o   38.267   12.728  -9.2526   6.7670  -5.4340   9.8806 -12.6261   9.2870   41.823   19.198   34.712   16.717 7.111000 25.45618 
1 1 1  -26   23   20 f  112.597   12.154   36.587   7.3677   35.193   10.744   37.824   10.122  110.216   18.041  114.979   16.292 -4.762199 24.30838 
1 1 1  -26   23   21 o   67.902   15.941   13.689   6.8269   14.006   9.7897   13.389   9.5250   68.547   22.695   67.256   22.391 1.290825 31.88143 
1 1 1  -26   23   22 o   53.176   15.391   4.5941   7.0368   3.3929   10.465   5.5854   9.5071   52.508   21.981   53.844   21.549 -1.335461 30.78208 
1 1 1  -26   23   23 o  140.383   10.089   55.715   7.6196   56.945   11.367   54.712   10.268  141.512   14.865  139.255   13.646 2.256119 20.17836 
1 1 1  -26   23   24 o   92.925   14.655   26.970   7.3096   21.174   11.016   31.530   9.7704   81.661   23.621  104.189   17.354 -22.52846 29.31094 
1 1 1  -26   23   25 o  138.859   17.816   66.444   9.5934   52.477   22.469   69.558   10.609  120.420   33.375  157.298   12.481 -36.87771 35.63232 
1 1 1  -26   23   26 o   42.253   13.576  -8.4631   7.0613   3.5778   10.796 -17.4665   9.3351   52.786   22.224   31.721   15.598 21.06507 27.15126 
1 1 1  -26   23   27 o   66.225   17.701   10.817   8.5750   6.0655   10.838   18.770   14.022   55.878   22.775   76.571   27.104 -20.69239 35.40259 
1 1 1  -26   23   28 o  106.684   13.336   34.296   7.5006   34.859   11.084   33.820   10.188  106.259   20.038  107.107   17.603 -0.8480148 26.67149 
1 1 1  -26   23   29 o   73.815   15.476   15.634   7.0572   27.255   10.970   7.4291   9.2176   92.255   22.261   55.375   21.504 36.87979 30.95152 
1 1 1  -26   23   30 o   72.097   16.602   16.350   7.3218   17.656   11.526   15.466   9.4802   74.111   24.630   70.084   22.268 4.026550 33.20345 
1 1 1  -26   23   31 o  131.938   10.933   50.839   7.5951   48.901   12.001   52.133   9.8094  128.706   17.256  135.169   13.430 -6.463379 21.86615 
1 1 1  -26   23   32 o   40.696   13.375  -7.5165   7.0598  -0.8081   10.847 -12.4467   9.2990   47.169   21.021   34.222   16.542 12.94687 26.74965 
1 1 1  -26   23   33 o   93.297   14.821   28.539   7.4292   21.948   11.379   33.437   9.8081   80.683   24.187  105.912   17.138 -25.22897 29.64273 
1 1 1  -26   23   34 o   96.835   14.794   30.195   7.4942   29.309   11.075   30.943   10.179   94.625   22.065   99.045   19.712 -4.419945 29.58735 
1 1 1  -26   23   35 o   52.437   15.395   5.6236   7.0714   5.8606   11.157   5.4645   9.1419   54.037   22.663   50.838   20.841 3.198921 30.78921 
1 1 1  -26   23   36 f  156.218   9.8902   71.982   8.2835   69.090   12.322   74.367   11.189  152.436   14.959  159.999   12.941 -7.563202 19.78032 
1 1 1  -26   23   37 o   43.045   14.351 -16.9070   9.5359   2.9797   13.115 -39.2117   13.890   53.493   23.510   32.596   16.464 20.89733 28.70149 
1 1 1  -26   23   38 o  282.023   12.410  164.492   14.901   75.315   16.809  491.667   32.197  154.729   20.104  409.316   14.557 -254.5875 24.82097 
1 1 1  -26   23   39 o   48.916   16.063  -4.3976   10.246  -1.4532   13.875  -7.9279   15.194   50.173   22.926   47.659   22.506 2.513397 32.12668 
1 1 1  -26   23   40 o   45.621   15.009  -1.6979   8.3117   0.3209   14.903  -2.6094   10.014   50.095   23.203   41.147   19.045 8.948418 30.01783 
1 1 1  -26   23   41 o   49.666   16.177  -5.5575   11.646 -43.8739   21.399   10.565   13.881   40.887   20.625   58.445   24.928 -17.55816 32.35388 
1 1 1  -26   23   42 o   62.852   19.085   13.337   11.680   7.2613   20.744   16.158   14.132   60.244   27.714   65.461   26.247 -5.216591 38.17019 
1 1 1  -26   23   43 o   45.806   14.513  -2.8091   7.7498   12.202   12.105 -13.2339   10.088   57.982   23.901   33.631   16.471 24.35040 29.02669 
1 1 1  -26   24    1 f  173.572   8.7700   83.416   8.2021   92.518   12.053   75.567   11.193  182.417   12.228  164.727   12.575 17.69028 17.53999 
1 1 1  -26   24    2 o   38.372   12.728  -9.8982   6.8420 -16.2365   9.7606  -3.7750   9.5936   33.852   16.497   42.892   19.387 -9.040367 25.45610 
1 1 1  -26   24    3 o  158.833   9.1048   70.378   7.8091   73.237   11.037   67.512   11.050  162.171   12.595  155.495   13.151 6.675720 18.20960 
1 1 1  -26   24    4 o   40.169   13.017  -6.1173   6.5209  -1.5072   9.1913 -10.7894   9.2529   44.309   19.569   36.028   17.172 8.280750 26.03468 
1 1 1  -26   24    5 o  155.843   9.0786   67.672   7.6422   69.404   11.001   66.056   10.624  157.744   12.907  153.943   12.771 3.801956 18.15719 
1 1 1  -26   24    6 o   57.303   15.772   7.1227   7.0382   5.8543   10.333   8.2202   9.6125   56.037   22.453   58.568   22.157 -2.530319 31.54407 
1 1 1  -26   24    7 o   80.357   21.377   12.451   9.0789   33.806   25.499   9.3509   9.7156  100.156   36.415   60.559   22.404 39.59682 42.75483 
1 1 1  -26   24    8 o  119.643   23.006   49.406   14.800   44.459   26.800   51.577   17.752  111.504   37.562  127.781   26.575 -16.27720 46.01238 
1 1 1  -26   24    9 o  186.023   16.292  101.666   15.844  111.194   26.300   96.239   19.850  190.690   25.524  181.356   20.255 9.334000 32.58402 
1 1 1  -26   24   10 o   72.620   18.876   14.226   9.1930   12.944   11.076   17.065   16.480   67.744   24.078   77.495   29.077 -9.751312 37.75231 
1 1 1  -26   24   11 o  207.107   7.9346  119.015   8.8257  118.544   13.208  119.394   11.863  206.432   11.841  207.781   10.565 -1.348907 15.86926 
1 1 1  -26   24   12 o   72.010   16.126   15.577   7.0453   17.915   10.344   13.554   9.6224   76.267   23.105   67.752   22.503 8.514984 32.25261 
1 1 1  -26   24   13 o   68.345   16.063   13.548   7.0958   17.884   10.134   9.3778   9.9390   76.155   22.824   60.536   22.607 15.61899 32.12503 
1 1 1  -26   24   14 o  104.393   13.299   32.417   7.2789   28.275   10.471   36.290   10.126   96.299   20.735  112.487   16.659 -16.18771 26.59797 
1 1 1  -26   24   15 o   78.285   16.079   19.137   7.2728   16.150   10.754   21.655   9.8729   72.857   23.770   83.713   21.660 -10.85579 32.15864 
1 1 1  -26   24   16 o   91.651   14.887   25.708   7.1946   26.547   10.693   25.014   9.7253   92.729   21.721   90.573   20.365 2.155846 29.77484 
1 1 1  -26   24   17 o   61.953   14.605   6.8206   7.1310   21.689   10.285  -6.9458   9.8962   83.444   22.357   40.462   18.799 42.98256 29.21031 
1 1 1  -26   24   18 o   84.624   15.356   22.281   7.1193   18.543   10.072   26.014   10.065   77.180   22.662   92.069   20.730 -14.88956 30.71266 
1 1 1  -26   24   19 o   94.436   13.944   26.814   7.0313   34.159   10.187   20.132   9.7170  108.530   17.371   80.342   21.819 28.18789 27.88900 
1 1 1  -26   24   20 o   52.394   15.348   4.0808   7.0914   4.6242   10.428   3.6135   9.6718   53.726   22.169   51.063   21.233 2.663235 30.69698 
1 1 1  -26   24   21 o   88.042   15.325   24.385   7.2581   22.250   10.440   26.382   10.097   83.815   22.555   92.270   20.755 -8.454971 30.65095 
1 1 1  -26   24   22 o   97.723   14.537   29.619   7.4252   27.856   10.772   31.215   10.249   94.258   21.610  101.188   19.451 -6.930305 29.07489 
1 1 1  -26   24   23 o   76.652   16.204   18.596   7.2088   20.287   10.712   17.197   9.7460   79.503   23.378   73.800   22.443 5.702271 32.40730 
1 1 1  -26   24   24 o   87.586   14.244   23.966   7.3877   9.3828   10.406   38.787   10.490   59.991   22.966  115.181   16.854 -55.19005 28.48735 
1 1 1  -26   24   25 o   84.571   16.216   22.645   7.6588   29.009   11.538   17.632   10.240   94.951   22.780   74.191   23.084 20.76076 32.43104 
1 1 1  -26   24   26 f   67.605   20.132   2.4457   8.9798   31.149   24.417  -2.0437   9.6566   91.332   35.129   43.878   19.674 47.45446 40.26311 
1 1 1  -26   24   27 o   41.992   13.799  -6.5885   7.3871  -4.5659   11.573  -7.9790   9.5962   45.603   20.876   38.381   18.051 7.222126 27.59773 
1 1 1  -26   24   28 o   59.493   17.021   4.7853   8.6465  -2.5196   10.957   16.842   14.077   46.026   20.769   72.960   26.972 -26.93409 34.04152 
1 1 1  -26   24   29 o   41.961   13.644  -6.7634   7.2934   1.0033   10.644 -13.6369   10.013   48.686   21.294   35.236   17.065 13.45045 27.28782 
1 1 1  -26   24   30 o  108.166   13.345   35.293   7.5790   41.952   11.611   30.349   10.004  117.917   18.222   98.414   19.502 19.50324 26.69009 
1 1 1  -26   24   31 o   73.173   16.896   17.309   7.6553   21.671   11.775   14.115   10.075   79.773   24.742   66.573   23.017 13.19982 33.79281 
1 1 1  -26   24   32 o   52.735   15.731   4.7490   7.7460   1.7980   11.533   7.1738   10.455   50.298   22.078   55.172   22.414 -4.873905 31.46154 
1 1 1  -26   24   33 o   84.744   14.541   22.064   7.5922   40.731   11.612   8.1274   10.034  114.059   18.841   55.429   22.154 58.62973 29.08255 
1 1 1  -26   24   34 o   97.751   17.911   33.972   9.4390   33.468   12.258   34.707   14.794   98.807   23.332   96.695   27.182 2.112236 35.82234 
1 1 1  -26   24   35 f  107.639   18.599   41.678   10.735   44.392   14.448   38.333   16.040  113.959   24.210  101.319   28.241 12.63975 37.19767 
1 1 1  -26   24   36 o   54.485   17.227   0.8508   10.599   6.5811   14.588  -5.5563   15.425   58.855   25.338   50.116   23.346 8.739113 34.45359 
1 1 1  -26   24   37 o   46.298   15.539  -8.4082   10.252 -11.1622   13.353  -4.4550   15.999   42.300   20.287   50.296   23.543 -7.995766 31.07806 
1 1 1  -26   24   38 o   37.289   12.655 -11.4062   7.7727 -24.4523   11.878  -1.6352   10.279   32.372   16.195   42.207   19.451 -9.835354 25.31034 
1 1 1  -26   24   39 o   59.490   18.398   9.7121   11.683  -2.6419   20.826   15.385   14.113   54.637   25.962   64.343   26.077 -9.705750 36.79696 
1 1 1  -26   24   40 o   68.042   19.988   14.843   11.876   33.874   20.109   4.6509   14.716   82.188   31.805   53.896   24.218 28.29205 39.97587 
1 1 1  -26   24   41 o  110.139   17.234   46.239   9.9214   38.048   12.934   57.950   15.465   97.805   24.519  122.474   24.226 -24.66915 34.46830 
1 1 1  -26   25    1 o  151.341   9.1733   64.536   7.4620   69.604   10.349   59.048   10.769  157.908   12.129  144.774   13.766 13.13380 18.34659 
1 1 1  -26   25    2 o  148.374   9.2381   61.645   7.3889   60.115   10.057   63.439   10.892  146.529   12.702  150.219   13.418 -3.690796 18.47610 
1 1 1  -26   25    3 o  129.604   10.527   47.793   7.3445   50.170   10.142   45.171   10.650  133.330   14.077  125.879   15.656 7.450516 21.05456 
1 1 1  -26   25    4 o  199.366   8.1615  110.020   8.7646  118.048   13.045  103.414   11.833  205.867   11.727  192.865   11.354 13.00183 16.32297 
1 1 1  -26   25    5 o   79.961   22.918   16.721   14.764   14.815   26.639   17.565   17.738   81.658   34.673   78.263   29.980 3.394592 45.83616 
1 1 1  -26   25    6 o   77.390   21.016   9.9744   15.723 -33.9865   26.676   33.378   19.464   56.025   27.297   98.755   31.963 -42.72992 42.03257 
1 1 1  -26   25    7 o   72.268   21.559   3.5401   14.207   25.495   24.318  -7.8378   17.506   89.641   34.895   54.895   25.328 34.74637 43.11819 
1 1 1  -26   25    8 o   57.467   17.658  -1.4884   8.5138  -5.5028   9.5987   13.320   18.435   40.988   18.854   73.946   29.862 -32.95851 35.31558 
1 1 1  -26   25    9 o   57.602   15.696   7.1507   7.1597   11.832   9.9605   2.1459   10.299   64.575   22.846   50.628   21.529 13.94673 31.39188 
1 1 1  -26   25   10 o   75.434   15.440   17.299   7.1088   9.2902   10.090   25.191   10.017   60.353   22.731   90.515   20.902 -30.16123 30.88055 
1 1 1  -26   25   11 f   66.638   16.338   12.962   7.2116   11.341   10.327   14.504   10.075   63.914   23.184   69.362   23.026 -5.448196 32.67567 
1 1 1  -26   25   12 o   74.195   14.807   15.236   7.0782   28.893   10.498   3.8505   9.5846   97.054   20.651   51.337   21.224 45.71724 29.61302 
1 1 1  -26   25   13 o  103.473   13.297   32.363   7.1584   27.651   10.589   36.329   9.7149   94.488   21.253  112.458   15.987 -17.97032 26.59462 
1 1 1  -26   25   14 o  109.126   13.585   36.648   7.5765   24.658   10.817   48.195   10.615   88.396   22.568  129.857   15.128 -41.46090 27.16918 
1 1 1  -26   25   15 o   88.489   15.046   24.538   7.2034   18.862   10.163   30.267   10.211   77.328   22.781   99.649   19.662 -22.32091 30.09277 
1 1 1  -26   25   16 o   54.716   15.431   6.0107   6.9256   8.5721   9.9328   3.5874   9.6613   58.563   22.434   50.870   21.192 7.693764 30.86105 
1 1 1  -26   25   17 o   61.130   15.122   9.0896   6.9146  -0.0444   9.8379   18.007   9.7207   46.695   20.446   75.565   22.285 -28.86944 30.24312 
1 1 1  -26   25   18 o   54.854   14.625   3.0978   7.0999   15.991   10.053  -9.7333   10.029   71.454   22.955   38.254   18.130 33.19993 29.25099 
1 1 1  -26   25   19 o   54.498   15.168   5.9391   6.7975   10.747   9.6164   1.1375   9.6097   61.552   22.365   47.444   20.495 14.10764 30.33567 
1 1 1  -26   25   20 o   74.960   16.317   17.987   7.2804   19.636   10.278   16.326   10.314   78.136   22.878   71.784   23.271 6.352646 32.63356 
1 1 1  -26   25   21 o  135.012   10.771   52.451   7.8366   55.502   11.616   49.902   10.616  138.430   15.529  131.595   14.930 6.834427 21.54167 
1 1 1  -26   25   22 o  171.939   9.5446   82.940   8.7757  101.608   13.263   68.401   11.704  189.232   12.970  154.648   14.006 34.58397 19.08930 
1 1 1  -26   25   23 o  108.860   13.964   36.992   7.8445   26.596   11.239   46.865   10.954   90.746   22.916  126.974   15.965 -36.22756 27.92848 
1 1 1  -26   25   24 o   55.573   15.858   4.7949   7.7381   12.532   11.244  -2.1673   10.666   65.320   24.114   45.827   20.602 19.49299 31.71639 
1 1 1  -26   25   25 f   78.790   16.391   19.998   7.5250   25.466   11.219   15.526   10.146   87.925   23.255   69.655   23.106 18.27012 32.78223 
1 1 1  -26   25   26 o   38.416   12.717 -13.5016   7.3860 -31.8803   11.123   0.9931   9.8781   29.668   14.954   47.164   20.573 -17.49566 25.43373 
1 1 1  -26   25   27 o   98.032   20.035   33.157   9.7327   36.869   22.844   32.334   10.758   95.047   34.481  101.016   20.411 -5.969131 40.06948 
1 1 1  -26   25   28 o   47.575   14.965  -0.5378   7.8134  -4.8713   12.079   2.5804   10.246   45.655   21.055   49.495   21.271 -3.839489 29.92946 
1 1 1  -26   25   29 o  102.107   17.410   34.259   9.4541   25.372   12.046   48.514   15.256   85.078   24.727  119.137   24.515 -34.05920 34.81980 
1 1 1  -26   25   30 o   56.130   16.120   6.5098   8.1600  -1.6565   11.679   14.300   11.406   46.707   21.222   65.553   24.270 -18.84624 32.23988 
1 1 1  -26   25   31 o  125.770   25.548   55.676   16.771   0.0000   0.0000   55.676   16.771  ?   ?   125.770   25.548      ?      ? 
1 1 1  -26   25   32 o   99.763   19.341   36.908   10.748   38.716   14.144   34.437   16.533  105.064   25.231   94.462   29.322 10.60169 38.68293 
1 1 1  -26   25   33 o   88.589   20.127   29.824   10.999   31.869   14.549   27.095   16.805   93.229   27.197   83.949   29.677 9.279999 40.25441 
1 1 1  -26   25   34 o   95.843   20.061   35.286   11.004   34.077   14.251   37.072   17.316   95.860   26.584   95.825   30.051 0.3520203E-01 40.12212 
1 1 1  -26   25   35 o   42.951   14.420  -7.4012   8.5283   0.3086   14.184 -11.7670   10.673   49.730   22.892   36.173   17.542 13.55661 28.84009 
1 1 1  -26   25   36 o   74.639   17.115   21.818   7.9113   26.614   11.884   18.001   10.602   81.380   24.790   67.898   23.604 13.48155 34.22967 
1 1 1  -26   25   37 o   51.379   16.483   2.6318   9.4475 -13.5428   21.293   6.5964   10.542   50.567   24.581   52.190   21.966 -1.622574 32.96585 
1 1 1  -26   25   38 o   95.930   20.369   43.748   12.491   30.203   19.711   52.838   16.147   76.806   30.926  115.055   26.517 -38.24869 40.73785 
1 1 1  -26   25   39 o   51.749   17.143   2.1663   12.088  -3.8176   19.576   5.8536   15.367   50.479   24.301   53.018   24.188 -2.539093 34.28675 
1 1 1  -26   26    1 o  110.537   12.418   35.533   7.0865   26.522   9.4585   47.063   10.700   93.122   19.425  127.952   15.475 -34.82970 24.83576 
1 1 1  -26   26    2 o   61.903   19.720  -1.4022   9.9977   15.176   25.506  -4.4117   10.867   79.229   33.791   44.577   20.338 34.65261 39.43958 
1 1 1  -26   26    3 f  134.837   21.148   69.088   16.305   31.667   25.570   94.730   21.166   93.667   35.967  176.008   22.254 -82.34019 42.29563 
1 1 1  -26   26    4 o   87.735   22.522   24.056   15.919  -0.5320   24.341   42.432   21.043   67.478   30.651  107.992   33.007 -40.51477 45.04409 
1 1 1  -26   26    5 o   54.630   16.621   3.0200   8.6427   7.5195   9.7805 -13.0135   18.463   56.684   22.113   52.575   24.822 4.108612 33.24290 
1 1 1  -26   26    6 o  107.759   13.190   34.617   7.4910   30.897   10.372   38.673   10.830  100.465   19.810  115.053   17.420 -14.58811 26.38002 
1 1 1  -26   26    7 o   76.285   16.533   18.416   7.4627   20.092   10.839   16.906   10.290   79.251   23.572   73.320   23.189 5.931160 33.06601 
1 1 1  -26   26    8 o   72.271   16.108   16.381   7.0473   17.614   9.8106   15.066   10.130   74.726   22.471   69.816   23.084 4.910118 32.21534 
1 1 1  -26   26    9 o   92.209   15.016   26.965   7.3733   31.432   10.149   21.972   10.730  101.607   19.187   82.810   23.104 18.79706 30.03249 
1 1 1  -26   26   10 o   66.463   16.062   13.311   6.9861   15.397   9.7817   11.139   9.9809   70.292   22.649   62.635   22.781 7.657139 32.12445 
1 1 1  -26   26   11 f   62.042   16.214   10.644   7.2060   12.241   10.402   9.1702   9.9922   64.749   23.299   59.335   22.555 5.413742 32.42849 
1 1 1  -26   26   12 o  102.003   14.081   32.046   7.4827   31.797   10.574   32.296   10.591  101.556   19.979  102.450   19.847 -0.8935318 28.16182 
1 1 1  -26   26   13 o  103.505   13.420   32.392   7.3380   34.880   10.397   29.924   10.358  108.778   17.689   98.233   20.187 10.54499 26.84077 
1 1 1  -26   26   14 o  111.212   12.221   36.358   7.3383   38.224   10.457   34.548   10.301  114.197   16.946  108.227   17.613 5.969666 24.44156 
1 1 1  -26   26   15 o   59.375   15.549   9.3620   6.6484   6.6886   8.9393   12.671   9.9456   53.815   21.100   64.935   22.844 -11.12032 31.09758 
1 1 1  -26   26   16 o   66.187   15.892   13.298   6.8239   10.971   9.4360   15.849   9.8802   61.586   22.188   70.788   22.758 -9.201736 31.78461 
1 1 1  -26   26   17 o   73.878   14.929   15.627   7.4176   29.976   10.668   2.1956   10.321   97.819   20.820   49.936   21.401 47.88348 29.85808 
1 1 1  -26   26   18 o   69.578   16.359   14.842   7.3708   19.692   10.591   10.287   10.264   78.017   23.323   61.139   22.946 16.87777 32.71797 
1 1 1  -26   26   19 o  129.289   11.337   48.822   7.8940   45.733   11.344   51.723   10.992  124.844   16.815  133.734   15.211 -8.890579 22.67413 
1 1 1  -26   26   20 o   40.998   13.352  -6.7324   6.9782 -12.7164   9.5343   0.1713   10.241   34.750   16.786   47.245   20.769 -12.49506 26.70456 
1 1 1  -26   26   21 o  154.992   9.9047   69.381   8.2696   65.024   11.872   73.487   11.526  149.788   14.667  160.196   13.315 -10.40781 19.80931 
1 1 1  -26   26   22 o   56.549   15.663   7.1660   7.2758   1.4525   10.275   12.912   10.304   48.403   21.051   64.694   23.199 -16.29004 31.32611 
1 1 1  -26   26   23 o   43.974   14.222  -4.2386   7.6000  -0.9133   11.045  -7.2285   10.474   47.322   21.142   40.626   19.027 6.695385 28.44319 
1 1 1  -26   26   24 o   47.033   14.839  -1.7619   7.8653  -7.3541   11.256   3.5738   10.995   42.139   19.732   51.927   22.167 -9.787949 29.67754 
1 1 1  -26   26   25 o   65.308   16.766   13.124   8.0621   6.3327   11.824   19.026   11.022   55.895   23.379   74.721   24.038 -18.82652 33.53215 
1 1 1  -26   26   26 o   94.709   16.374   31.312   8.3864   25.973   12.504   35.677   11.306   84.934   25.330  104.483   20.757 -19.54877 32.74897 
1 1 1  -26   26   27 o   55.750   15.820   3.2958   8.7117 -13.9584   12.882   17.839   11.826   40.361   19.500   71.140   24.917 -30.77882 31.64069 
1 1 1  -26   26   28 o  141.205   21.492   83.783   14.911   60.743   28.487   92.477   17.500  109.982   38.664  172.428   18.782 -62.44563 42.98489 
1 1 1  -26   26   29 o   79.798   18.650   21.753   11.095   37.860   15.133   3.0270   16.316  102.020   27.021   57.575   25.711 44.44507 37.29924 
1 1 1  -26   26   30 o   79.526   27.510   23.153   14.394   23.153   14.394   0.0000   0.0000   79.526   27.510  ?   ?       ?      ? 
1 1 1  -26   26   31 o   78.888   17.208   19.633   11.192   42.703   14.743 -11.7410   17.194  109.315   25.437   48.461   23.183 60.85405 34.41636 
1 1 1  -26   26   32 o   66.421   17.815   13.802   9.0206   28.694   14.792   4.9851   11.382   81.900   27.904   50.942   22.155 30.95769 35.62976 
1 1 1  -26   26   33 o   50.793   15.544   4.7811   8.0593   11.720   11.768  -1.3494   11.061   57.948   23.688   43.638   20.133 14.31025 31.08797 
1 1 1  -26   26   34 o   43.932   14.360  -2.8136   8.0457  -0.1929   11.387  -5.4268   11.370   46.046   20.935   41.818   19.662 4.227730 28.72018 
1 1 1  -26   26   35 o   81.303   17.884   25.875   8.7053   30.036   12.902   22.398   11.795   87.065   25.673   75.540   24.906 11.52436 35.76877 
1 1 1  -26   26   36 o   53.661   17.727   0.6569   11.894   17.160   20.333  -7.9279   14.665   63.401   28.479   43.921   21.116 19.47970 35.45359 
1 1 1  -26   27    1 o   78.996   23.675   17.202   17.070   16.894   28.741   17.369   21.217   80.683   35.147   77.309   31.728 3.374237 47.34955 
1 1 1  -26   27    2 o   69.005   21.897   4.6405   16.215   4.5473   28.113   4.6869   19.850   72.638   32.975   65.372   28.820 7.266243 43.79409 
1 1 1  -26   27    3 o   73.517   13.791   16.157   7.3776   31.626   9.7431  -4.6331   11.295  102.059   18.341   44.976   20.601 57.08368 27.58261 
1 1 1  -26   27    4 o   48.752   14.225  -1.8258   6.7790 -11.6557   8.9117   11.674   10.444   33.961   16.361   63.544   23.274 -29.58335 28.44912 
1 1 1  -26   27    5 o   65.769   15.796   11.120   7.0943   3.9413   9.2066   21.613   11.131   50.152   20.773   81.387   23.802 -31.23568 31.59228 
1 1 1  -26   27    6 o  148.995   9.9533   63.560   8.0066   65.305   11.210   61.743   11.439  151.296   13.712  146.694   14.431 4.602097 19.90652 
1 1 1  -26   27    7 o  105.671   13.872   34.960   7.5784   41.987   10.321   26.738   11.164  120.235   15.885   91.107   22.747 29.12901 27.74420 
1 1 1  -26   27    8 o   60.590   16.079   10.024   7.1577   11.422   9.8247   8.4418   10.449   62.693   22.633   58.487   22.845 4.206295 32.15796 
1 1 1  -26   27    9 o   65.180   16.470   12.662   7.4079   14.732   10.010   10.156   11.014   68.718   22.957   61.642   23.621 7.075260 32.93924 
1 1 1  -26   27   10 o   74.105   16.281   17.595   7.2068   17.154   10.199   18.036   10.184   73.255   23.078   74.954   22.972 -1.699722 32.56222 
1 1 1  -26   27   11 o   51.983   15.389   3.4226   7.3061   0.2283   9.8968   7.2485   10.831   46.797   20.498   57.169   22.958 -10.37197 30.77756 
1 1 1  -26   27   12 o   44.487   13.974  -2.7714   6.8343  -7.8444   9.1093   3.7610   10.337   37.221   17.531   51.753   21.765 -14.53257 27.94728 
1 1 1  -26   27   13 o   58.737   16.109   8.8894   7.3069   9.2839   10.102   8.4565   10.582   59.108   22.629   58.367   22.934 0.7402344 32.21804 
1 1 1  -26   27   14 o   54.941   15.477   5.7586   7.2818   11.914   10.199  -0.6424   10.400   63.285   23.027   46.596   20.685 16.68881 30.95362 
1 1 1  -26   27   15 o   98.598   14.245   30.700   7.7432   50.396   11.368   13.655   10.576  130.960   16.064   66.236   23.529 64.72367 28.49040 
1 1 1  -26   27   16 o   50.688   14.870   2.8225   7.1487  -4.7485   10.426   9.5398   9.8207   42.584   19.611   58.791   22.358 -16.20755 29.74024 
1 1 1  -26   27   17 o   55.362   15.780   6.6609   7.3796   3.3029   10.548   9.8801   10.328   51.000   21.740   59.724   22.876 -8.724121 31.55902 
1 1 1  -26   27   18 o   90.968   22.972   27.384   11.295   0.0000   0.0000   27.384   11.295  ?   ?    90.968   22.972      ?      ? 
1 1 1  -26   27   19 o   51.402   15.214   2.2804   7.5783   10.283   10.695  -5.7888   10.739   60.530   23.257   42.275   19.622 18.25432 30.42880 
1 1 1  -26   27   20 o   99.590   14.974   31.910   7.9959   24.177   11.119   40.191   11.506   84.482   23.501  114.698   18.565 -30.21576 29.94897 
1 1 1  -26   27   21 o   75.203   15.570   17.860   7.8753   31.986   11.275   4.4054   11.004   98.224   21.811   52.183   22.224 46.04051 31.13925 
1 1 1  -26   27   22 o   71.018   16.210   15.179   8.0924   29.373   11.982   3.2746   10.973   91.550   23.946   50.485   21.855 41.06511 32.41997 
1 1 1  -26   27   23 o   62.252   16.989   11.904   8.1729   15.043   11.663   8.8765   11.456   66.725   24.572   57.780   23.468 8.945351 33.97779 
1 1 1  -26   27   24 o   94.591   18.951   32.569   9.9843   30.981   12.861   34.977   15.839   93.465   24.984   95.717   28.500 -2.251640 37.90107 
1 1 1  -26   27   25 o   60.366   18.277   7.4916   10.770   11.241   14.167   2.3581   16.577   63.439   25.968   57.294   25.727 6.144993 36.55445 
1 1 1  -26   27   26 o  126.882   17.196   53.109   11.465   42.387   15.081   67.793   17.648  109.700   25.862  144.063   22.670 -34.36320 34.39199 
1 1 1  -26   27   27 o   66.772   18.733   13.369   10.751   21.097   14.195   2.9707   16.466   76.094   27.235   57.450   25.729 18.64493 37.46693 
1 1 1  -26   27   28 o   56.975   17.474   0.7552   10.709 -13.7117   14.264   19.444   16.212   42.460   20.516   71.489   28.292 -29.02908 34.94738 
1 1 1  -26   27   29 o   64.480   20.519   5.9334   10.746   46.644   27.493  -1.4073   11.674   84.145   35.448   44.815   20.679 39.33031 41.03854 
1 1 1  -26   27   30 o  120.968   14.224   50.161   9.0538   56.125   13.108   44.720   12.520  129.859   18.680  112.077   21.455 17.78221 28.44736 
1 1 1  -26   27   31 o   45.597   15.174  -4.7011   9.4139  -3.1797   11.884  -7.2635   15.423   44.390   20.616   46.804   22.270 -2.413887 30.34747 
1 1 1  -26   27   32 o   53.328   16.123   6.8520   8.2702   8.8970   11.810   4.8844   11.585   55.669   23.331   50.987   22.259 4.682564 32.24605 
1 1 1  -26   27   33 o   43.041   14.001  -3.5470   8.0236 -15.2108   12.084   5.6505   10.730   36.415   17.874   49.667   21.556 -13.25169 28.00261 
1 1 1  -26   28    1 o  165.817   9.5771   78.359   8.5291   67.639   11.520   91.364   12.688  153.092   13.926  178.543   13.151 -25.45178 19.15417 
1 1 1  -26   28    2 f   64.603   16.312   12.930   7.3104   15.397   9.7034   9.6928   11.117   69.045   22.582   60.161   23.546 8.884544 32.62415 
1 1 1  -26   28    3 o   93.656   15.278   28.530   7.5265   29.508   9.9516   27.224   11.505   96.888   19.680   90.424   23.374 6.463646 30.55564 
1 1 1  -26   28    4 o  110.553   13.717   37.586   7.9630   31.826   10.918   44.132   11.640   99.845   20.906  121.261   17.763 -21.41637 27.43365 
1 1 1  -26   28    5 o   93.436   15.166   28.709   7.5252   32.902   10.156   23.605   11.206  102.949   18.954   83.923   23.680 19.02631 30.33164 
1 1 1  -26   28    6 o   69.105   16.363   15.517   7.2469   17.250   9.6446   13.269   10.983   72.667   22.369   65.542   23.888 7.125023 32.72617 
1 1 1  -26   28    7 o  108.343   13.520   36.239   7.7150   37.881   10.665   34.435   11.174  112.478   17.547  104.209   20.574 8.269142 27.04060 
1 1 1  -26   28    8 o   80.773   16.455   21.703   7.5494   21.528   10.153   21.919   11.290   80.852   22.444   80.695   24.070 0.1569977 32.91047 
1 1 1  -26   28    9 o   89.455   15.547   26.615   7.6441   33.265   10.547   19.258   11.094  103.020   19.664   75.889   24.087 27.13055 31.09375 
1 1 1  -26   28   10 o   65.300   16.344   11.547   7.6012   4.3152   10.039   21.263   11.636   51.393   21.523   79.207   24.601 -27.81332 32.68727 
1 1 1  -26   28   11 o   69.519   14.752   13.745   7.3428   27.625   10.292  -0.6442   10.479   92.611   21.044   46.427   20.678 46.18361 29.50340 
1 1 1  -26   28   12 o   97.336   15.421   30.881   7.9158   28.728   11.136   33.080   11.254   93.376   22.366  101.296   21.238 -7.919502 30.84289 
1 1 1  -26   28   13 o   75.759   15.546   18.501   7.7016   30.370   10.798   6.2083   10.988   96.690   21.246   54.828   22.701 41.86195 31.09236 
1 1 1  -26   28   14 o   92.503   14.698   27.582   7.5974   40.798   11.132   16.060   10.394  115.710   17.804   69.296   23.392 46.41394 29.39691 
1 1 1  -26   28   15 f   46.578   14.517  -2.0026   7.5494 -10.6015   10.474   7.2953   10.891   37.676   18.042   55.480   22.746 -17.80345 29.03317 
1 1 1  -26   28   16 o   58.996   15.430   7.2017   7.6366   20.389   10.992  -5.1006   10.617   76.130   23.954   41.862   19.457 34.26854 30.86050 
1 1 1  -26   28   17 o   58.892   14.701   5.3218   7.6496 -12.7555   10.926   22.702   10.713   37.153   17.952   80.630   23.286 -43.47750 29.40295 
1 1 1  -26   28   18 o   70.902   17.253   17.458   8.0620   19.949   11.366   14.936   11.437   75.129   24.434   66.675   24.366 8.453873 34.50631 
1 1 1  -26   28   19 o   67.755   17.958   14.337   8.4613   11.623   10.332   19.863   14.744   61.309   23.019   74.202   27.569 -12.89283 35.91581 
1 1 1  -26   28   20 o   79.383   18.264   21.066   9.8492   8.9707   13.417   35.203   14.505   60.214   25.020   98.552   26.613 -38.33799 36.52743 
1 1 1  -26   28   21 o   51.940   16.663  -0.9119   10.094  -0.9340   13.628  -0.8851   15.023   50.920   23.053   52.960   24.066 -2.039574 33.32584 
1 1 1  -26   28   22 o   56.041   17.444   3.5464   10.304   6.2252   13.804   0.1752   15.485   57.725   24.745   54.358   24.594 3.366741 34.88828 
1 1 1  -26   28   23 o  141.368   15.761   66.369   11.591   69.527   15.579   62.455   17.346  148.572   19.405  134.165   24.841 14.40642 31.52226 
1 1 1  -26   28   24 o   49.030   16.108  -3.4061   10.363   0.5550   13.795  -8.5360   15.699   50.813   23.079   47.247   22.477 3.566307 32.21575 
1 1 1  -26   28   25 o   40.031   13.775 -13.6294   9.0281  -5.3041   14.437 -18.9754   11.569   45.924   21.762   34.139   16.895 11.78523 27.55011 
1 1 1  -26   28   26 o   45.184   14.411  -1.3857   7.8824 -10.7832   11.152   7.9964   11.143   37.272   18.041   53.096   22.478 -15.82325 28.82218 
1 1 1  -26   28   27 o  105.138   15.558   39.106   8.5564   36.383   12.141   41.793   12.061  100.292   22.905  109.985   21.060 -9.693230 31.11553 
1 1 1  -26   28   28 o   51.962   15.630   4.4321   8.1376  -3.7332   11.560   12.453   11.457   43.451   20.231   60.474   23.831 -17.02288 31.26028 
1 1 1  -26   28   29 o   64.963   17.249   16.130   8.1947   19.684   12.278   13.275   11.004   69.538   25.271   60.387   23.483 9.150803 34.49778 
1 1 1  -26   28   30 o   56.910   18.107   9.5206   10.058   11.694   23.677   9.0421   11.110   60.225   28.334   53.594   22.553 6.631451 36.21446 
1 1 1  -26   29    1 o   94.363   15.068   30.552   7.7689   38.166   10.489   21.298   11.564  111.511   17.406   77.215   24.600 34.29615 30.13512 
1 1 1  -26   29    2 o   64.375   16.527   12.750   7.4725   8.2114   9.7541   19.198   11.626   55.256   21.920   73.494   24.740 -18.23781 33.05381 
1 1 1  -26   29    3 o   74.109   16.809   19.292   7.6096   19.685   10.105   18.776   11.566   75.419   22.834   72.798   24.674 2.620674 33.61868 
1 1 1  -26   29    4 o   43.555   13.841  -4.1583   7.4054   5.1906   9.9818 -15.6032   11.044   51.303   21.471   35.808   17.472 15.49489 27.68182 
1 1 1  -26   29    5 o   66.965   16.866   15.101   7.6477   13.882   10.223   16.649   11.524   64.663   23.117   69.267   24.566 -4.604408 33.73255 
1 1 1  -26   29    6 o   87.641   16.391   25.638   8.0296   17.863   10.509   36.545   12.447   71.718   23.502  103.564   22.854 -31.84661 32.78183 
1 1 1  -26   29    7 o  156.363   15.094   72.765   12.754   0.0000   0.0000   72.765   12.754  ?   ?   156.363   15.094      ?      ? 
1 1 1  -26   29    8 o  115.959   13.525   42.521   8.2187   42.869   11.045   42.090   12.303  118.419   17.260  113.500   20.827 4.918472 27.04972 
1 1 1  -26   29    9 o   53.962   15.995   5.8013   7.9131   3.1880   11.204   8.4026   11.178   50.832   22.044   57.092   23.183 -6.260166 31.99046 
1 1 1  -26   29   10 o   37.986   12.780  -9.9676   7.3394  -4.6517   9.6879 -17.1281   11.244   40.412   18.714   35.559   17.410 4.853279 25.56038 
1 1 1  -26   29   11 o   66.829   16.948   14.856   7.7620   15.023   10.464   14.651   11.575   67.084   23.441   66.574   24.484 0.5100708 33.89635 
1 1 1  -26   29   12 o   44.964   20.487  -2.5537   10.978  -2.5537   10.978   0.0000   0.0000   44.964   20.487  ?   ?       ?      ? 
1 1 1  -26   29   13 o   68.736   17.900   15.977   8.8896   18.619   11.170   11.414   14.681   73.457   24.238   64.015   26.346 9.442192 35.79974 
1 1 1  -26   29   14 o  101.979   16.599   36.582   9.9863   55.360   13.964   16.923   14.287  133.268   19.391   70.689   26.947 62.57937 33.19833 
1 1 1  -26   29   15 o   82.499   18.728   23.208   9.8143   14.212   12.937   35.405   15.064   66.678   25.588   98.320   27.354 -31.64149 37.45699 
1 1 1  -26   29   16 o   57.928   17.564   6.3394   9.7498   5.9122   12.850   6.9189   14.967   56.280   23.994   59.576   25.657 -3.295116 35.12796 
1 1 1  -26   29   17 o   43.151   14.536 -10.3544   9.2771 -10.8761   12.430  -9.6982   13.940   41.435   19.791   44.867   21.296 -3.431980 29.07269 
1 1 1  -26   29   18 o   73.481   17.339   17.042   9.7014   34.054   13.735   0.1063   13.704   96.037   25.882   50.924   23.080 45.11260 34.67836 
1 1 1  -26   29   19 o   67.972   17.438   13.678   10.024   31.689   14.104  -4.7050   14.249   88.891   26.991   47.054   22.087 41.83665 34.87613 
1 1 1  -26   29   20 o   45.600   14.583  -3.3310   8.1643   9.4369   11.979 -14.4081   11.157   55.717   23.431   35.482   17.366 20.23526 29.16500 
1 1 1  -26   29   21 o   43.327   14.205  -2.8312   8.0646   2.3968   11.298  -8.2614   11.515   47.257   21.228   39.396   18.879 7.861588 28.40908 
1 1 1  -26   29   22 o   78.605   16.880   23.580   7.8785   19.406   10.790   28.345   11.530   70.972   23.834   86.238   23.910 -15.26598 33.76036 
1 1 1  -26   29   23 o   57.735   16.523   10.205   8.1213   13.739   11.425   6.5949   11.547   62.324   24.013   53.145   22.703 9.178902 33.04644 
1 1 1  -26   29   24 o   44.848   14.567  -2.2210   8.1217  -6.3976   11.241   2.3396   11.747   40.869   19.317   48.827   21.810 -7.958340 29.13445 
1 1 1  -26   29   25 o   46.727   14.669   1.6946   7.7628   7.4346   10.198  -6.2144   11.971   51.855   21.702   41.600   19.742 10.25485 29.33861 
1 1 1  -26   29   26 o   55.007   16.391   9.9401   8.3177   9.9818   11.768   9.8985   11.758   55.057   23.193   54.956   23.168 0.1015663 32.78198 
1 1 1  -26   30    1 o   44.514   14.357  -3.3915   7.9023   2.2247   10.516 -10.6762   11.977   48.511   21.192   40.517   19.373 7.993858 28.71324 
1 1 1  -26   30    2 o   42.266   14.015  -6.5363   8.0676  -1.8866   9.8871 -15.7996   13.955   43.190   19.587   41.343   20.051 1.847458 28.03031 
1 1 1  -26   30    3 o   87.036   17.199   28.728   8.8367   34.061   10.944   18.739   14.978  101.953   20.575   72.119   27.567 29.83441 34.39875 
1 1 1  -26   30    4 o   55.009   16.636   4.0465   8.4903  -0.5691   10.545   12.552   14.315   45.715   20.524   64.304   26.188 -18.58858 33.27216 
1 1 1  -26   30    5 o  137.842   13.797   59.916   10.070   58.919   13.028   61.396   15.872  138.487   17.410  137.197   21.409 1.289566 27.59399 
1 1 1  -26   30    6 o   60.234   17.464   9.9279   8.9670   8.6622   11.709   11.723   13.944   57.559   23.590   62.910   25.759 -5.351204 34.92882 
1 1 1  -26   30    7 o   44.578   14.758  -6.1277   8.9317  -1.8054   11.295 -13.3423   14.592   45.666   20.796   43.489   20.947 2.177361 29.51690 
1 1 1  -26   30    8 o   43.216   14.424  -7.0689   8.6886  -5.1869   11.146  -9.9842   13.872   42.436   19.794   43.997   20.985 -1.560787 28.84731 
1 1 1  -26   30    9 o   75.503   18.392   19.536   9.1470   11.829   11.524   32.658   15.037   60.723   23.910   90.283   27.954 -29.56009 36.78426 
1 1 1  -26   30   10 o   44.708   14.778  -4.7357   8.9408  -0.3811   11.400 -11.6959   14.412   46.209   20.985   43.207   20.813 3.001209 29.55557 
1 1 1  -26   30   11 o   47.009   15.393  -2.9726   9.1093  -8.1847   11.854   4.5428   14.235   40.654   19.393   53.365   23.910 -12.71082 30.78601 
1 1 1  -26   30   12 f   69.914   18.808   20.607   9.8150   21.151   12.666   19.788   15.528   71.652   25.718   68.176   27.450 3.476456 37.61559 
1 1 1  -26   30   13 o   76.478   18.018   24.322   8.7168   24.414   12.759   24.241   11.937   76.015   25.915   76.941   25.041 -0.9263382 36.03646 
1 1 1  -26   30   14 o   47.287   15.192   0.9162   8.4863   5.5676   12.478  -3.0869   11.576   51.537   22.779   43.037   20.107 8.499977 30.38342 
1 1 1  -26   30   15 o   46.144   14.648   0.3958   7.8895   6.6974   10.867  -6.6287   11.473   51.679   22.049   40.610   19.289 11.06974 29.29517 
1 1 1  -26   30   16 o   50.781   15.442   4.4779   8.0003   10.240   10.825  -2.4580   11.876   56.830   22.906   44.732   20.717 12.09756 30.88461 
1 1 1  -26   30   17 o   58.825   16.488   11.359   7.8050   11.973   10.755   10.676   11.344   59.622   23.208   58.028   23.428 1.593575 32.97663 
1 1 1  -26   30   18 o   56.415   15.879   7.6982   7.4990   0.8768   9.7087   17.787   11.807   44.475   19.849   68.355   24.791 -23.87988 31.75791 
1 1 1  -26   30   19 o   80.342   17.376   25.081   8.2452   22.831   11.285   27.658   12.076   76.642   24.289   84.041   24.853 -7.399330 34.75144 
1 1 1  -26   30   20 o   74.954   17.381   23.065   8.3616   27.153   11.402   18.308   12.299   83.030   24.036   66.878   25.114 16.15170 34.76273 
1 1 1  -26   30   21 o   51.852   15.551   7.4338   7.5446   4.7535   10.107   10.806   11.338   47.801   20.832   55.903   23.096 -8.101925 31.10284 
1 1 1  -26   30   22 o   51.744   15.082   3.2044   8.0135   18.989   11.480 -11.7942   11.191   67.178   24.433   36.310   17.688 30.86843 30.16364 
1 1 1  -26   31    1 o   50.932   15.730   3.5599   8.6261   9.5405   11.067  -5.6959   13.768   56.364   22.999   45.501   21.468 10.86275 31.46096 
1 1 1  -26   31    2 o   73.639   17.072   21.246   9.0329   30.315   11.657   7.6171   14.290   90.722   23.567   56.556   24.706 34.16553 34.14328 
1 1 1  -26   31    3 o   65.951   17.152   15.917   8.3307   20.892   11.494   10.411   12.092   73.808   24.598   58.094   23.910 15.71341 34.30389 
1 1 1  -26   31    4 o   59.036   16.948   11.216   8.4490   11.468   11.725   10.944   12.186   59.269   23.857   58.803   24.079 0.4664001 33.89601 
1 1 1  -26   31    5 o   52.141   15.567   6.1494   7.6932   9.7348   10.437   1.8830   11.385   56.248   22.555   48.034   21.462 8.214359 31.13387 
1 1 1  -26   31    6 o   46.362   14.553  -3.0144   7.7007 -13.1491   10.165   10.639   11.798   34.546   16.835   58.179   23.743 -23.63374 29.10608 
1 1 1  -26   31    7 o   85.148   16.775   26.638   8.0007   22.547   10.652   31.933   12.119   77.731   23.424   92.565   24.020 -14.83362 33.55090 
1 1 1  -26   31    8 o   79.438   15.993   20.899   8.2771   6.8246   10.822   40.733   12.847   52.564   22.197  106.312   23.030 -53.74781 31.98562 
1 1 1  -26   31    9 o   67.984   17.355   17.617   8.1342   15.948   10.916   19.700   12.198   65.338   23.815   70.630   25.250 -5.291977 34.70942 
1 1 1  -26   31   10 o   38.196   13.015 -10.0708   7.9342 -10.0638   10.658 -10.0794   11.882   37.075   17.869   39.318   18.929 -2.243439 26.03062 
1 1 1  -26   31   11 o   45.345   14.532   0.2813   7.8322   4.0939   10.373  -4.7758   11.946   48.112   21.032   42.579   20.061 5.532829 29.06499 
1 1 1  -26   31   12 o   55.768   16.164   9.4295   7.8782   4.4853   10.545   15.676   11.852   48.416   21.184   63.120   24.420 -14.70422 32.32818 
1 1 1  -26   31   13 f   36.601   12.612 -12.1603   8.0121 -10.3939   10.572 -14.5444   12.281   36.181   17.525   37.020   18.140 -0.8395538 25.22302 
1 1 1  -26   31   14 o   65.643   16.315   17.516   7.8716   23.496   10.244   8.8919   12.301   77.327   22.896   53.958   23.249 23.36934 32.63003 
1 1 1  -26   31   15 o  104.129   14.794   40.471   8.0508   48.849   10.833   30.135   12.032  122.799   16.326   85.459   24.677 37.34022 29.58857 
1 1 1  -25    0    4 o  369.377   7.6931  369.820   21.673  369.820   21.673  369.820   21.673  369.377   10.880  369.377   10.880 0.000000 0.000000 
1 1 1  -25    0    5 o  1023.55   17.513  2844.59  136.805  2844.59  136.805  2844.59  136.805  1023.55   24.767  1023.55   24.767 0.000000 0.000000 
1 1 1  -25    0    6 o  552.682   7.1434  826.564   30.148  826.564   30.148  826.564   30.148  552.682   10.102  552.682   10.102 0.000000 0.000000 
1 1 1  -25    0    7 o   49.523   14.353   9.2806   5.3606   9.2806   5.3606   9.2806   5.3606   49.523   20.299   49.523   20.299 0.000000 0.000000 
1 1 1  -25    0    8 o  459.896   6.2499  572.325   21.947  572.325   21.947  572.325   21.947  459.896   8.8387  459.896   8.8387 0.000000 0.000000 
1 1 1  -25    0    9 o  603.101   7.7012  984.352   35.468  984.352   35.468  984.352   35.468  603.101   10.891  603.101   10.891 0.000000 0.000000 
1 1 1  -25    0   10 o  122.757   6.9958   41.525   6.4647   41.525   6.4647   41.525   6.4647  122.757   9.8936  122.757   9.8936 0.000000 0.000000 
1 1 1  -25    0   11 o  255.475   4.9654  176.792   9.6776  176.792   9.6776  176.792   9.6776  255.475   7.0222  255.475   7.0222 0.000000 0.000000 
1 1 1  -25    0   12 o  306.300   5.1900  254.004   12.132  254.004   12.132  254.004   12.132  306.300   7.3397  306.300   7.3397 0.000000 0.000000 
1 1 1  -25    0   13 o  843.353   10.338  1925.89   66.582  1925.89   66.582  1925.89   66.582  843.353   14.620  843.353   14.620 0.000000 0.000000 
1 1 1  -25    0   14 o  885.866   10.821  2125.18   73.208  2125.18   73.208  2125.18   73.208  885.866   15.304  885.866   15.304 0.000000 0.000000 
1 1 1  -25    0   15 o  1089.60   13.152  3217.06  109.443  3217.06  109.443  3217.06  109.443  1089.60   18.600  1089.60   18.600 0.000000 0.000000 
1 1 1  -25    0   16 o  116.835   8.1142   37.965   7.0844   37.965   7.0844   37.965   7.0844  116.835   11.475  116.835   11.475 0.000000 0.000000 
1 1 1  -25    0   17 o  381.796   5.7831  394.543   16.856  394.543   16.856  394.543   16.856  381.796   8.1786  381.796   8.1786 0.000000 0.000000 
1 1 1  -25    0   18 o  398.078   5.9247  428.913   18.005  428.913   18.005  428.913   18.005  398.078   8.3788  398.078   8.3788 0.000000 0.000000 
1 1 1  -25    0   19 o  791.683   9.8069  1697.18   59.290  1697.18   59.290  1697.18   59.290  791.683   13.869  791.683   13.869 0.000000 0.000000 
1 1 1  -25    0   20 o   35.075   15.104   2.9313   7.6058   2.9313   7.6058   2.9313   7.6058   35.075   21.360   35.075   21.360 0.000000 0.000000 
1 1 1  -25    0   22 o  903.119   11.070  2209.56   76.349  2209.56   76.349  2209.56   76.349  903.119   15.655  903.119   15.655 0.000000 0.000000 
1 1 1  -25    0   23 o  590.148   7.7245  942.867   34.810  942.867   34.810  942.867   34.810  590.148   10.924  590.148   10.924 0.000000 0.000000 
1 1 1  -25    0   24 o  189.983   6.8482   98.358   9.8835   98.358   9.8835   98.358   9.8835  189.983   9.6848  189.983   9.6848 0.000000 0.000000 
1 1 1  -25    0   25 o  142.774   8.7367   56.376   9.3681   56.376   9.3681   56.376   9.3681  142.774   12.356  142.774   12.356 0.000000 0.000000 
1 1 1  -25    0   26 o  268.053   6.1558  194.887   12.580  194.887   12.580  194.887   12.580  268.053   8.7056  268.053   8.7056 0.000000 0.000000 
1 1 1  -25    0   27 o  433.118   6.3057  507.933   20.851  507.933   20.851  507.933   20.851  433.118   8.9176  433.118   8.9176 0.000000 0.000000 
1 1 1  -25    0   28 o  132.290   8.2689   48.462   8.2092   48.462   8.2092   48.462   8.2092  132.290   11.694  132.290   11.694 0.000000 0.000000 
1 1 1  -25    0   29 o  115.027   10.079   37.453   8.4941   37.453   8.4941   37.453   8.4941  115.027   14.254  115.027   14.254 0.000000 0.000000 
1 1 1  -25    0   30 o  206.572   6.4712  116.105   10.170  116.105   10.170  116.105   10.170  206.572   9.1517  206.572   9.1517 0.000000 0.000000 
1 1 1  -25    0   31 o  483.741   6.8204  633.903   25.190  633.903   25.190  633.903   25.190  483.741   9.6455  483.741   9.6455 0.000000 0.000000 
1 1 1  -25    0   34 o  197.883   9.0130  107.478   13.500  107.478   13.500  107.478   13.500  197.883   12.746  197.883   12.746 0.000000 0.000000 
1 1 1  -25    0   35 o  118.297   8.8514   39.200   7.7968   39.200   7.7968   39.200   7.7968  118.297   12.518  118.297   12.518 0.000000 0.000000 
1 1 1  -25    0   36 o  354.632   5.8835  340.999   15.925  340.999   15.925  340.999   15.925  354.632   8.3205  354.632   8.3205 0.000000 0.000000 
1 1 1  -25    0   37 o   53.550   17.213   11.418   7.6242   11.418   7.6242   11.418   7.6242   53.550   24.342   53.550   24.342 0.000000 0.000000 
1 1 1  -25    0   38 o   52.665   17.177   11.094   7.6047   11.094   7.6047   11.094   7.6047   52.665   24.292   52.665   24.292 0.000000 0.000000 
1 1 1  -25    0   39 o  135.966   8.0544   51.214   8.2337   51.214   8.2337   51.214   8.2337  135.966   11.391  135.966   11.391 0.000000 0.000000 
1 1 1  -25    0   40 o  206.874   5.8780  116.514   9.2585  116.514   9.2585  116.514   9.2585  206.874   8.3128  206.874   8.3128 0.000000 0.000000 
1 1 1  -25    0   41 o  120.801   8.6379   40.883   7.7871   40.883   7.7871   40.883   7.7871  120.801   12.216  120.801   12.216 0.000000 0.000000 
1 1 1  -25    0   42 o  208.860   6.2141  118.929   9.8784  118.929   9.8784  118.929   9.8784  208.860   8.7881  208.860   8.7881 0.000000 0.000000 
1 1 1  -25    0   43 o  182.933   6.3324   91.446   8.8040   91.446   8.8040   91.446   8.8040  182.933   8.9553  182.933   8.9553 0.000000 0.000000 
1 1 1  -25    0   44 o   95.104   11.829   26.938   7.8020   26.938   7.8020   26.938   7.8020   95.104   16.728   95.104   16.728 0.000000 0.000000 
1 1 1  -25    0   45 o  309.803   5.6656  260.970   13.393  260.970   13.393  260.970   13.393  309.803   8.0124  309.803   8.0124 0.000000 0.000000 
1 1 1  -25    0   46 o  330.249   5.7740  296.646   14.552  296.646   14.552  296.646   14.552  330.249   8.1657  330.249   8.1657 0.000000 0.000000 
1 1 1  -25    0   48 o   26.976   12.796  -2.5025   7.4090  -2.5025   7.4090  -2.5025   7.4090   26.976   18.097   26.976   18.097 0.000000 0.000000 
1 1 1  -25    0   49 o   23.077   11.330  -5.7610   7.0015  -5.7610   7.0015  -5.7610   7.0015   23.077   16.023   23.077   16.023 0.000000 0.000000 
1 1 1  -25    0   50 o  160.843   7.3176   71.573   8.9091   71.573   8.9091   71.573   8.9091  160.843   10.349  160.843   10.349 0.000000 0.000000 
1 1 1  -25    0   51 o  108.635   10.455   34.334   8.2249   34.334   8.2249   34.334   8.2249  108.635   14.785  108.635   14.785 0.000000 0.000000 
1 1 1  -25    0   52 o   28.789   13.566  -1.8733   8.0878  -1.8733   8.0878  -1.8733   8.0878   28.789   19.185   28.789   19.185 0.000000 0.000000 
1 1 1  -25    0   53 o  136.623   8.3701   52.513   8.5880   52.513   8.5880   52.513   8.5880  136.623   11.837  136.623   11.837 0.000000 0.000000 
1 1 1  -25    0   54 o  226.659   6.3496  141.120   10.959  141.120   10.959  141.120   10.959  226.659   8.9797  226.659   8.9797 0.000000 0.000000 
1 1 1  -25    0   55 o   33.007   14.671   2.2249   7.7519   2.2249   7.7519   2.2249   7.7519   33.007   20.748   33.007   20.748 0.000000 0.000000 
1 1 1  -25    0   56 o  253.201   6.1763  176.137   11.919  176.137   11.919  176.137   11.919  253.201   8.7346  253.201   8.7346 0.000000 0.000000 
1 1 1  -25    0   57 o  159.464   7.7904   71.247   9.3894   71.247   9.3894   71.247   9.3894  159.464   11.017  159.464   11.017 0.000000 0.000000 
1 1 1  -25    0   58 o  150.071   8.5967   63.988   9.7101   63.988   9.7101   63.988   9.7101  150.071   12.158  150.071   12.158 0.000000 0.000000 
1 1 1  -25    0   61 o   25.403   12.646  -8.4382   9.6339  -8.4382   9.6339  -8.4382   9.6339   25.403   17.885   25.403   17.885 0.000000 0.000000 
1 1 1  -25    0   62 o   98.200   13.892   31.514   9.2492   31.514   9.2492   31.514   9.2492   98.200   19.646   98.200   19.646 0.000000 0.000000 
1 1 1  -25    1    1 o  278.787   9.7694  210.203   14.717   0.0000   0.0000  210.203   14.717  ?   ?   278.787   9.7694      ?      ? 
1 1 1  -25    1    3 o  197.330   9.9421  105.315   10.601   0.0000   0.0000  105.315   10.601  ?   ?   197.330   9.9421      ?      ? 
1 1 1  -25    1    4 o  718.073   17.801  1397.75   69.071   0.0000   0.0000  1397.75   69.071  ?   ?   718.073   17.801      ?      ? 
1 1 1  -25    1    5 f  206.586   9.9429  115.428   11.099   0.0000   0.0000  115.428   11.099  ?   ?   206.586   9.9429      ?      ? 
1 1 1  -25    1    6 o  249.765   6.0080  168.262   7.6406  167.447   9.3416  169.910   13.280  248.885   6.9460  250.645   9.8050 -1.759933 12.01605 
1 1 1  -25    1    7 o  435.253   6.0018  512.242   14.116  510.868   19.929  513.627   19.997  434.667   8.4847  435.839   8.4908 -1.171753 12.00350 
1 1 1  -25    1    8 o  402.541   5.7420  438.052   12.489  431.739   17.537  444.547   17.790  399.599   8.1218  405.483   8.1191 -5.884094 11.48399 
1 1 1  -25    1    9 o  164.062   5.5568   72.796   4.9218   68.922   6.9331   76.731   6.9883  159.658   8.0362  168.466   7.6766 -8.808441 11.11353 
1 1 1  -25    1   10 f  191.122   5.2248   98.603   5.3913  104.301   7.7878   93.358   7.4709  196.417   7.3374  185.827   7.4401 10.59085 10.44952 
1 1 1  -25    1   11 o  163.779   5.7788   72.505   5.1134   70.899   7.1559   74.181   7.3094  161.927   8.1782  165.632   8.1667 -3.705566 11.55763 
1 1 1  -25    1   12 o  616.862   7.8542  1029.39   26.176  1041.74   37.460  1017.60   36.591  620.472   11.173  613.252   11.042 7.220032 15.70848 
1 1 1  -25    1   13 o  225.340   5.3421  137.327   6.5030  140.305   9.1648  134.307   9.2289  227.804   7.4452  222.877   7.6630 4.926758 10.68417 
1 1 1  -25    1   14 o  175.315   5.9681   83.113   5.6532   84.856   8.0148   81.388   7.9748  177.145   8.3729  173.484   8.5069 3.660553 11.93624 
1 1 1  -25    1   15 o  501.675   9.5288  680.725   25.831  680.725   25.831   0.0000   0.0000  501.675   9.5288  ?   ?       ?      ? 
1 1 1  -25    1   16 o  313.119   5.4169  265.018   9.1643  269.726   13.080  260.480   12.843  315.850   7.6640  310.389   7.6575 5.460754 10.83388 
1 1 1  -25    1   17 o  312.396   5.4202  263.524   9.1438  252.953   12.672  275.007   13.208  305.868   7.6667  318.923   7.6638 -13.05518 10.84035 
1 1 1  -25    1   18 o  403.771   5.9555  440.870   12.993  438.533   18.282  443.254   18.471  402.691   8.4016  404.851   8.4430 -2.159973 11.91100 
1 1 1  -25    1   19 o  637.941   8.1390  1101.06   28.047  1083.65   39.053  1119.59   40.306  632.747   11.422  643.136   11.598 -10.38971 16.27791 
1 1 1  -25    1   20 o  914.246   11.174  2266.07   55.201  2265.67   78.095  2266.46   78.037  914.165   15.809  914.326   15.795 -0.1614990 22.34731 
1 1 1  -25    1   21 o  645.179   8.2494  1126.69   28.759  1132.98   40.927  1120.56   40.419  646.954   11.707  643.405   11.626 3.549744 16.49888 
1 1 1  -25    1   22 o  327.404   5.8254  289.705   10.302  282.951   14.323  296.945   14.829  323.455   8.1944  331.354   8.2821 -7.898590 11.65080 
1 1 1  -25    1   23 o  537.373   7.2208  781.268   20.962  769.641   29.235  793.571   30.072  533.266   10.146  541.481   10.278 -8.214905 14.44160 
1 1 1  -25    1   24 o  207.676   6.6246  116.753   7.4312  114.852   10.604  118.588   10.417  206.008   9.5260  209.344   9.2085 -3.335373 13.24917 
1 1 1  -25    1   25 f  507.025   6.9788  695.682   19.119  704.278   27.258  687.358   26.823  510.105   9.8890  503.944   9.8501 6.161163 13.95769 
1 1 1  -25    1   26 o  332.838   8.2432  299.703   14.826  299.703   14.826   0.0000   0.0000  332.838   8.2432  ?   ?       ?      ? 
1 1 1  -25    1   27 o  281.790   5.7944  214.032   8.8059  200.316   12.020  229.923   12.938  272.084   8.1752  291.496   8.2138 -19.41202 11.58877 
1 1 1  -25    1   28 o  633.194   8.1583  1086.52   27.906  1069.68   38.912  1104.34   40.044  628.160   11.464  638.229   11.611 -10.06897 16.31653 
1 1 1  -25    1   29 o  398.100   6.0743  429.019   13.066  430.616   18.637  427.476   18.322  398.823   8.6477  397.377   8.5327 1.446381 12.14869 
1 1 1  -25    1   30 o   90.349   11.905   23.025   5.5882   14.883   7.7696   31.750   8.0434   72.585   19.426  108.112   13.768 -35.52703 23.81031 
1 1 1  -25    1   31 o  111.447   12.126   29.686   6.6562   20.694   7.9156   51.396   12.299   85.555   17.705  137.338   16.573 -51.78265 24.25173 
1 1 1  -25    1   34 o  128.072   11.969   49.958   7.1830   59.552   9.0117   33.243   11.895  148.050   11.264  108.095   21.121 39.95554 23.93736 
1 1 1  -25    1   35 o  150.769   7.3724   62.220   5.9583   67.566   8.1776   56.170   8.6993  157.787   9.5910  143.751   11.199 14.03638 14.74483 
1 1 1  -25    1   36 o   47.949   13.485   2.8462   5.3522   6.0693   7.6984  -0.1694   7.4463   53.376   19.904   42.523   18.200 10.85288 26.97013 
1 1 1  -25    1   37 o  327.484   5.6968  290.831   10.079  285.736   14.060  296.215   14.455  324.542   8.0173  330.427   8.0955 -5.884216 11.39356 
1 1 1  -25    1   38 o  215.115   6.0980  125.613   7.0782  125.840   10.294  125.409   9.7481  215.272   8.8495  214.957   8.3923 0.3150177 12.19606 
1 1 1  -25    1   39 o  283.249   5.6195  217.692   8.5998  214.850   12.036  220.655   12.292  281.366   7.9166  285.132   7.9776 -3.765930 11.23898 
1 1 1  -25    1   40 o  119.652   8.8095   39.264   5.6543   39.958   7.5933   38.401   8.4714  120.939   11.619  118.364   13.245 2.574867 17.61901 
1 1 1  -25    1   41 o   87.953   11.821   21.648   5.4462   29.662   8.1029   15.044   7.3554  103.781   14.449   72.126   18.712 31.65472 23.64142 
1 1 1  -25    1   42 o  229.298   5.7886  142.974   7.1718  144.705   10.218  141.293   10.069  230.664   8.1976  227.932   8.1750 2.731598 11.57720 
1 1 1  -25    1   43 o  160.980   7.1536   70.818   6.2185   69.694   8.9173   71.882   8.6762  159.698   10.333  162.261   9.8952 -2.563202 14.30717 
1 1 1  -25    1   44 o  133.040   7.8487   48.557   5.6419   47.792   7.9795   49.322   7.9782  131.975   11.189  134.104   11.010 -2.129150 15.69738 
1 1 1  -25    1   45 o  200.522   6.1731  109.779   6.6875  106.978   9.4376  112.603   9.4776  197.931   8.8239  203.113   8.6352 -5.181946 12.34614 
1 1 1  -25    1   46 o  218.457   5.9484  130.200   7.0120  139.971   10.049  120.930   9.7889  226.492   8.2109  210.421   8.6090 16.07103 11.89685 
1 1 1  -25    1   47 o   89.887   11.278   23.709   5.1757   34.414   7.4609   13.778   7.1860  111.458   12.388   68.317   18.851 43.14113 22.55680 
1 1 1  -25    1   48 o  133.084   7.8435   48.584   5.6150   55.496   8.3156   42.792   7.6125  141.783   10.854  124.384   11.326 17.39902 15.68696 
1 1 1  -25    1   49 o  198.403   6.2307  107.984   6.6792  105.846   9.4078  110.156   9.4844  196.405   8.8644  200.400   8.7583 -3.995697 12.46136 
1 1 1  -25    1   50 o   76.794   13.136   17.780   5.3977   16.570   7.6580   18.973   7.6093   74.031   19.037   79.557   18.107 -5.526115 26.27271 
1 1 1  -25    1   51 o  128.718   8.6096   46.687   5.8313   34.255   8.1053   60.026   8.3956  110.266   13.603  147.170   10.557 -36.90394 17.21920 
1 1 1  -25    1   52 o  138.732   7.8632   53.615   5.8821   49.012   8.1970   58.501   8.4455  132.469   11.451  144.995   10.779 -12.52605 15.72645 
1 1 1  -25    1   53 o  169.130   7.1241   79.401   6.5012   85.590   9.3464   73.600   9.0490  175.612   9.8492  162.648   10.296 12.96440 14.24827 
1 1 1  -25    1   54 o  181.290   6.9504   91.414   6.8026   92.710   9.4650   90.030   9.7836  182.745   9.5849  179.836   10.068 2.909073 13.90076 
1 1 1  -25    1   55 o  125.446   8.9107   44.567   6.0379   45.813   8.6866   43.403   8.3985  127.120   12.646  123.771   12.557 3.348610 17.82142 
1 1 1  -25    1   56 o  180.117   7.2441   90.886   7.0493   90.527   10.051   91.234   9.8889  179.699   10.351  180.534   10.137 -0.8348541 14.48811 
1 1 1  -25    1   57 o   34.937   11.660  -7.4294   5.7921 -10.3201   8.1805  -4.5234   8.2022   32.533   15.673   37.340   17.266 -4.806961 23.31910 
1 1 1  -25    1   58 o   70.351   14.968   16.547   6.2550   13.184   8.8270   19.940   8.8648   63.383   21.556   77.320   20.774 -13.93699 29.93680 
1 1 1  -25    1   61 o  181.721   7.7993   96.026   7.6535   91.813   10.779  100.309   10.869  177.453   11.241  185.990   10.815 -8.536301 15.59852 
1 1 1  -25    1   62 o   46.952   14.168   2.3581   6.8520   10.438   9.6440  -5.8790   9.7371   55.927   21.919   37.977   17.959 17.95041 28.33669 
1 1 1  -25    2    1 o  613.859   10.954  1018.70   36.283  985.135   49.703  1056.98   53.088  603.081   15.252  624.636   15.728 -21.55511 21.90883 
1 1 1  -25    2    2 o  500.644   9.4080  678.497   25.451  673.198   36.013  683.784   35.973  498.687   13.364  502.601   13.245 -3.913940 18.81608 
1 1 1  -25    2    3 o  527.918   13.717  754.505   39.130   0.0000   0.0000  754.505   39.130  ?   ?   527.918   13.717      ?      ? 
1 1 1  -25    2    4 o  180.135   7.5979   88.263   7.3476   82.500   10.804   93.221   10.022  174.620   11.450  185.650   9.9901 -11.03036 15.19573 
1 1 1  -25    2    5 o  632.216   9.7507  1092.51   31.774  1046.85   53.109  1117.96   39.653  621.626   15.811  642.807   11.416 -21.18152 19.50139 
1 1 1  -25    2    6 o  351.854   6.5291  333.932   11.694  332.225   14.292  337.387   20.339  350.552   7.5449  353.156   10.658 -2.604065 13.05820 
1 1 1  -25    2    7 o  472.784   6.3901  603.782   16.313  587.135   22.550  622.059   23.629  465.959   8.9560  479.609   9.1173 -13.65012 12.78027 
1 1 1  -25    2    8 o  624.353   7.9058  1054.70   26.672  1055.54   37.820  1053.88   37.620  624.597   11.206  624.110   11.155 0.4862671 15.81152 
1 1 1  -25    2    9 o  325.224   5.2100  285.961   9.1550  285.479   13.041  286.430   12.855  324.952   7.4270  325.496   7.3087 -0.5439758 10.42006 
1 1 1  -25    2   10 o  397.105   5.7314  426.352   12.298  419.369   17.310  433.468   17.475  393.822   8.1341  400.389   8.0768 -6.567230 11.46287 
1 1 1  -25    2   11 o  502.338   6.6981  682.441   18.181  674.462   25.538  690.640   25.888  499.362   9.4642  505.314   9.4810 -5.952271 13.39626 
1 1 1  -25    2   12 o  301.630   5.2338  245.342   8.5196  260.661   12.419  231.721   11.710  310.502   7.4015  292.758   7.4019 17.74356 10.46762 
1 1 1  -25    2   13 o  481.896   6.5417  628.080   17.035  627.023   24.072  629.140   24.109  481.490   9.2519  482.302   9.2507 -0.8118896 13.08336 
1 1 1  -25    2   14 o  469.778   6.4471  595.590   16.341  618.864   23.932  575.262   22.366  478.351   9.2586  461.206   8.9744 17.14474 12.89424 
1 1 1  -25    2   15 o  255.677   7.5204  176.740   10.390   0.0000   0.0000  176.740   10.390  ?   ?   255.677   7.5204      ?      ? 
1 1 1  -25    2   16 o  404.603   5.9580  442.668   13.025  443.308   18.545  442.046   18.298  404.889   8.4764  404.317   8.3751 0.5724182 11.91605 
1 1 1  -25    2   17 f  253.553   5.4484  173.051   7.4482  187.754   10.961  160.438   10.152  263.514   7.6975  243.592   7.7128 19.92220 10.89678 
1 1 1  -25    2   18 o  236.557   5.6510  151.325   7.2233  152.190   10.199  150.453   10.232  237.236   7.9555  235.877   8.0277 1.359344 11.30198 
1 1 1  -25    2   19 o  251.210   5.5771  170.657   7.5697  174.181   10.720  167.153   10.690  253.798   7.8169  248.622   7.9569 5.176498 11.15421 
1 1 1  -25    2   20 o  602.049   7.7995  980.754   25.370  990.653   36.279  971.281   35.490  605.015   11.097  599.082   10.963 5.932373 15.59904 
1 1 1  -25    2   21 o  402.985   6.1107  439.168   13.305  443.032   18.975  435.430   18.662  404.727   8.6762  401.243   8.6072 3.484192 12.22133 
1 1 1  -25    2   22 o  820.007   10.139  1822.23   44.926  1833.33   63.948  1811.41   63.129  822.463   14.389  817.550   14.290 4.913391 20.27890 
1 1 1  -25    2   23 o  424.464   6.3155  486.670   14.471  470.263   19.935  504.949   21.041  416.918   8.8487  432.010   9.0134 -15.09131 12.63095 
1 1 1  -25    2   24 o  152.540   7.6388   62.898   6.2881   67.655   9.0794   58.512   8.7171  158.080   10.629  147.001   10.974 11.07906 15.27756 
1 1 1  -25    2   25 o  585.549   7.6718  928.020   24.268  914.164   33.867  942.643   34.793  581.065   10.786  590.032   10.913 -8.966858 15.34354 
1 1 1  -25    2   26 o  236.127   8.4240  150.854   10.749  150.854   10.749   0.0000   0.0000  236.127   8.4240  ?   ?       ?      ? 
1 1 1  -25    2   27 f   66.631   13.740   12.170   5.6128   17.707   7.6487   5.7087   8.2620   79.086   18.266   54.175   20.530 24.91123 27.47976 
1 1 1  -25    2   28 o  291.893   8.1678  230.599   12.883   0.0000   0.0000  230.599   12.883  ?   ?   291.893   8.1678      ?      ? 
1 1 1  -25    2   29 o  455.191   6.5457  560.443   16.086  545.838   22.196  576.603   23.348  448.964   9.1489  461.418   9.3640 -12.45395 13.09143 
1 1 1  -25    2   30 o  158.675   7.3864   68.290   6.3285   70.340   8.8762   66.171   9.0254  161.110   10.196  156.240   10.690 4.870010 14.77274 
1 1 1  -25    2   31 o  253.062   7.3852  172.151   9.4775  169.424   11.513  177.883   16.692  250.126   8.5184  255.997   12.067 -5.871323 14.77045 
1 1 1  -25    2   34 o  322.600   7.0163  273.900   11.527  258.286   13.940  307.658   20.497  308.706   8.3567  336.493   11.273 -27.78705 14.03251 
1 1 1  -25    2   35 o  125.896   8.7554   43.636   5.8866   38.545   8.6630   48.003   8.0236  118.909   13.482  132.884   11.174 -13.97545 17.51089 
1 1 1  -25    2   36 o  260.188   5.7002  183.583   8.0140  181.390   11.315  185.791   11.352  258.624   8.0963  261.751   8.0262 -3.127197 11.40044 
1 1 1  -25    2   37 o  201.847   6.2763  111.100   6.8162  103.051   9.8559  118.479   9.4368  194.753   9.3653  208.941   8.3582 -14.18846 12.55267 
1 1 1  -25    2   38 o  185.656   6.4576   93.494   6.4733   97.160   9.3841   90.167   8.9411  189.117   9.1828  182.195   9.0817 6.922287 12.91520 
1 1 1  -25    2   39 o  242.586   5.7063  159.745   7.4800  161.264   10.609  158.243   10.548  243.735   8.0552  241.437   8.0848 2.298050 11.41268 
1 1 1  -25    2   40 o   92.644   10.890   24.218   5.2195   30.520   7.4929   18.278   7.2749  105.518   13.141   79.770   17.369 25.74802 21.78047 
1 1 1  -25    2   41 o  383.739   6.0748  399.499   12.576  381.754   17.194  419.914   18.442  374.630   8.4934  392.847   8.6875 -18.21713 12.14953 
1 1 1  -25    2   42 o   64.842   13.954   11.835   5.4393   14.854   7.5831   8.6355   7.8064   71.602   19.203   58.083   20.250 13.51907 27.90755 
1 1 1  -25    2   43 o  170.045   6.8139   78.750   6.2536   75.594   8.5922   82.305   9.1193  166.445   9.5531  173.645   9.7188 -7.200409 13.62778 
1 1 1  -25    2   44 o   94.115   11.545   25.785   5.5267   36.758   7.9474   15.510   7.6907  115.460   12.738   72.770   19.258 42.69028 23.08962 
1 1 1  -25    2   45 o  141.561   7.6343   55.090   5.8244   50.401   8.2174   59.825   8.2568  135.407   11.231  147.715   10.344 -12.30859 15.26855 
1 1 1  -25    2   46 o  219.973   5.9687  132.096   7.0932  133.053   10.152  131.183   9.9144  220.732   8.5116  219.214   8.3697 1.518143 11.93733 
1 1 1  -25    2   47 o  263.900   5.8023  189.501   8.2547  178.963   11.213  201.971   12.197  255.959   8.1068  271.842   8.3035 -15.88307 11.60465 
1 1 1  -25    2   48 o   59.056   13.799   9.6986   5.2273   12.445   7.3262   6.8503   7.4606   64.981   19.391   53.132   19.637 11.84878 27.59743 
1 1 1  -25    2   49 o   41.549   12.741  -0.4478   5.3190   1.4800   7.7019  -2.2056   7.3546   44.439   18.744   38.658   17.263 5.781254 25.48198 
1 1 1  -25    2   50 o  169.637   6.9381   79.516   6.3471   85.124   8.9692   73.891   8.9830  175.767   9.4434  163.507   10.167 12.25961 13.87617 
1 1 1  -25    2   51 o  218.741   6.1092  131.553   7.2195  134.483   10.198  128.610   10.222  221.230   8.5303  216.252   8.7478 4.977951 12.21842 
1 1 1  -25    2   52 o   36.292   11.779  -4.4955   5.3143  -7.4438   7.9084  -2.0680   7.1760   34.606   16.310   37.979   16.999 -3.372421 23.55799 
1 1 1  -25    2   53 o   53.725   14.177   7.4294   5.5234   6.8723   8.1565   7.9011   7.5065   53.191   20.340   54.259   19.753 -1.068596 28.35348 
1 1 1  -25    2   54 o  122.816   9.1668   42.456   6.0251   35.017   8.1708   51.320   8.9198  110.800   13.647  134.833   12.243 -24.03230 18.33360 
1 1 1  -25    2   55 o  113.529   9.7253   36.910   5.9599   35.155   8.4451   38.652   8.4121  110.666   14.122  116.392   13.375 -5.726280 19.45069 
1 1 1  -25    2   56 o   32.957   11.205 -10.4771   5.8590 -12.7511   8.2731  -8.1890   8.2986   31.309   15.243   34.605   16.427 -3.296225 22.40995 
1 1 1  -25    2   57 o  167.083   7.7478   78.998   6.9935   81.439   9.9977   76.659   9.7861  169.645   10.906  164.521   11.008 5.123825 15.49568 
1 1 1  -25    2   58 o   47.256   13.684   1.5777   6.2428   10.482   8.8030  -7.4311   8.8546   58.379   21.370   36.132   17.099 22.24711 27.36888 
1 1 1  -25    2   61 o   52.394   15.016   7.7855   6.6443   6.3573   9.4387   9.1883   9.3548   50.381   20.964   54.407   21.504 -4.026150 30.03195 
1 1 1  -25    2   62 o   48.289   14.218   5.6095   6.2067   3.0340   8.6654   8.3228   8.8943   44.505   19.343   52.072   20.842 -7.566807 28.43521 
1 1 1  -25    3    1 o  359.711   5.4019  349.844   10.499  346.860   14.884  352.799   14.813  358.182   7.6900  361.239   7.5885 -3.056854 10.80381 
1 1 1  -25    3    2 o  199.348   7.0010  107.428   7.5415   0.0000   0.0000  107.428   7.5415  ?   ?   199.348   7.0010      ?      ? 
1 1 1  -25    3    3 o  552.744   10.199  823.017   30.318  870.270   45.603  785.586   40.588  566.846   14.888  538.642   13.945 28.20404 20.39867 
1 1 1  -25    3    4 o  949.058   16.346  2446.96   83.800  2407.66  116.744  2488.74  120.361  941.239   22.953  956.877   23.278 -15.63818 32.69114 
1 1 1  -25    3    5 o  192.382   6.5632  101.613   6.2959   96.104   11.191  104.163   7.6153  188.472   10.989  196.292   7.1795 -7.819946 13.12632 
1 1 1  -25    3    6 o  275.800   6.9185  205.627   10.311   0.0000   0.0000  205.627   10.311  ?   ?   275.800   6.9185      ?      ? 
1 1 1  -25    3    7 o  242.287   6.0941  158.243   7.5940  157.130   9.3790  160.360   12.940  241.086   7.1994  243.488   9.8346 -2.402390 12.18818 
1 1 1  -25    3    8 o  401.291   5.7696  435.034   12.502  445.222   18.100  425.740   17.288  405.776   8.2549  396.806   8.0629 8.969788 11.53925 
1 1 1  -25    3    9 o  642.194   8.1102  1115.98   28.143  1119.37   40.007  1112.66   39.596  643.156   11.511  641.232   11.427 1.924194 16.22033 
1 1 1  -25    3   10 o  329.557   5.3117  293.201   9.4489  302.697   13.758  284.722   13.000  334.598   7.6093  324.517   7.4133 10.08096 10.62347 
1 1 1  -25    3   11 o  232.626   5.2304  146.305   6.5739  143.103   9.2694  149.546   9.3247  230.064   7.4562  235.188   7.3372 -5.124496 10.46086 
1 1 1  -25    3   12 o  497.975   6.6832  670.547   17.981  660.509   25.163  681.019   25.704  494.170   9.4234  501.780   9.4796 -7.610596 13.36648 
1 1 1  -25    3   13 o  794.419   9.7994  1708.86   42.062  1722.22   59.995  1695.94   58.988  797.465   13.923  791.373   13.794 6.092041 19.59876 
1 1 1  -25    3   14 o  192.299   5.8907   99.886   6.1177   96.743   8.4810  103.296   8.8331  189.148   8.2977  195.449   8.3636 -6.300339 11.78137 
1 1 1  -25    3   15 o  436.254   6.1892  514.678   14.590  511.585   20.619  517.779   20.648  434.941   8.7732  437.568   8.7325 -2.627106 12.37842 
1 1 1  -25    3   16 o  200.674   5.7722  108.938   6.2565  106.011   8.8890  111.812   8.8077  197.999   8.3081  203.350   8.0155 -5.350769 11.54437 
1 1 1  -25    3   17 f  365.153   5.7150  360.558   11.277  361.555   15.968  359.566   15.927  365.656   8.0813  364.650   8.0831 1.006775 11.42996 
1 1 1  -25    3   18 o  739.866   9.2338  1482.32   36.915  1471.91   51.912  1492.97   52.504  737.242   13.031  742.490   13.086 -5.248779 18.46769 
1 1 1  -25    3   19 o  541.103   7.2038  792.196   21.062  793.142   29.956  791.270   29.619  541.419   10.239  540.787   10.136 0.6315918 14.40755 
1 1 1  -25    3   20 o  210.461   6.2420  119.938   7.0880  127.325   10.010  112.509   10.038  216.976   8.5373  203.947   9.1086 13.02892 12.48409 
1 1 1  -25    3   21 o  457.149   6.5193  565.287   16.104  569.369   22.913  561.302   22.638  458.779   9.2425  455.520   9.1968 3.258972 13.03862 
1 1 1  -25    3   22 o  285.448   5.8365  220.292   8.9998  224.074   12.922  216.729   12.542  287.824   8.3082  283.071   8.1995 4.752136 11.67296 
1 1 1  -25    3   23 o  612.448   7.9450  1015.61   26.292  1006.21   36.951  1025.25   37.419  609.581   11.218  615.316   11.254 -5.734619 15.88997 
1 1 1  -25    3   24 o  621.874   8.0429  1047.32   27.027  1046.94   38.186  1047.70   38.259  621.762   11.366  621.986   11.383 -0.2241821 16.08585 
1 1 1  -25    3   25 o  263.641   8.4027  188.041   11.971   0.0000   0.0000  188.041   11.971  ?   ?   263.641   8.4027      ?      ? 
1 1 1  -25    3   26 o  171.245   6.9104   79.408   6.3920   82.130   9.0479   76.695   9.0313  174.182   9.6129  168.309   9.9302 5.872375 13.82085 
1 1 1  -25    3   27 o  194.021   6.4904  101.564   6.7922   94.122   9.3119  110.025   9.9289  186.449   9.2425  201.593   9.1146 -15.14319 12.98077 
1 1 1  -25    3   28 f  298.816   5.8140  241.464   9.3810  236.385   12.973  247.030   13.582  295.532   8.1234  302.100   8.3199 -6.568481 11.62797 
1 1 1  -25    3   29 o  654.214   8.4000  1159.35   29.665  1193.20   43.143  1128.99   40.856  663.226   12.038  645.202   11.719 18.02393 16.79997 
1 1 1  -25    3   30 o  353.145   5.9420  337.716   11.336  341.098   15.906  334.225   16.161  354.951   8.2928  351.338   8.5123 3.613037 11.88405 
1 1 1  -25    3   31 f  433.772   9.0031  507.354   21.015  470.721   28.194  553.153   31.524  416.318   12.533  451.226   12.929 -34.90796 18.00627 
1 1 1  -25    3   33 o  193.436   12.899  101.802   13.483   0.0000   0.0000  101.802   13.483  ?   ?   193.436   12.899      ?      ? 
1 1 1  -25    3   34 o  360.267   7.2981  350.520   13.283  347.165   16.104  357.658   23.491  357.891   8.3272  362.643   11.988 -4.752594 14.59624 
1 1 1  -25    3   35 o  277.863   5.7507  209.320   8.6339  211.475   12.186  207.149   12.234  279.306   8.0742  276.421   8.1907 2.884338 11.50131 
1 1 1  -25    3   36 o  277.796   5.6859  209.217   8.5330  205.579   11.905  213.061   12.237  275.318   8.0023  280.273   8.0796 -4.954956 11.37171 
1 1 1  -25    3   37 o  119.269   8.7692   38.807   5.6488   38.638   7.8579   38.989   8.1262  119.017   12.218  119.521   12.582 -0.5045166 17.53848 
1 1 1  -25    3   38 f  225.155   5.9081  137.516   7.1859  133.710   10.020  141.547   10.311  221.949   8.3546  228.361   8.3559 -6.411469 11.81611 
1 1 1  -25    3   39 o  179.313   6.4785   87.004   6.2383   74.272   8.5319  101.631   9.1446  165.234   9.5556  193.392   8.7506 -28.15762 12.95691 
1 1 1  -25    3   40 o  122.456   8.4142   41.129   5.5332   46.723   7.8722   35.667   7.7788  130.801   11.138  114.111   12.615 16.68980 16.82832 
1 1 1  -25    3   41 o  346.611   5.8209  326.728   10.901  322.080   15.471  331.311   15.362  344.138   8.3194  349.083   8.1437 -4.944275 11.64178 
1 1 1  -25    3   42 o  297.943   5.6527  241.307   9.0985  245.025   13.042  237.783   12.699  300.166   8.0408  295.719   7.9471 4.446899 11.30538 
1 1 1  -25    3   43 o  104.997   9.7415   30.339   5.5192   32.027   8.0693   28.854   7.5658  107.722   13.862  102.272   13.690 5.449631 19.48302 
1 1 1  -25    3   44 o  187.730   6.1633   95.960   6.2455  101.848   9.0624   90.634   8.6193  193.212   8.6800  182.249   8.7522 10.96249 12.32654 
1 1 1  -25    3   45 o   73.003   12.943   15.853   5.2428   20.616   7.2468   10.622   7.5944   84.449   16.472   61.558   19.970 22.89107 25.88675 
1 1 1  -25    3   46 o  221.012   6.0292  133.395   7.1942  126.015   10.087  141.038   10.264  214.743   8.6924  227.280   8.3574 -12.53653 12.05836 
1 1 1  -25    3   47 o   97.294   10.286   26.594   5.3832   23.912   7.6436   29.233   7.5828   92.219   15.339  102.369   13.708 -10.14992 20.57137 
1 1 1  -25    3   48 o  180.590   6.7195   89.722   6.5413   82.485   9.2370   97.002   9.2646  173.156   9.8720  188.023   9.1186 -14.86691 13.43893 
1 1 1  -25    3   49 o  212.107   6.1457  123.155   7.0294  112.597   9.7058  134.803   10.194  202.502   8.8698  221.713   8.5091 -19.21121 12.29138 
1 1 1  -25    3   50 o  224.995   6.1819  139.155   7.5130  142.359   10.572  135.885   10.679  227.677   8.5928  222.314   8.8897 5.363174 12.36375 
1 1 1  -25    3   51 o  145.997   7.9122   59.308   6.2392   61.688   8.8695   56.976   8.7783  148.961   11.019  143.033   11.358 5.927811 15.82436 
1 1 1  -25    3   52 o   84.550   12.146   21.350   5.4438   25.550   7.6666   17.080   7.7311   94.477   15.017   74.623   19.094 19.85406 24.29189 
1 1 1  -25    3   53 o   41.135   12.705  -0.3928   5.3556  -1.9125   7.3661   1.3114   7.8003   38.521   17.234   43.750   18.674 -5.229328 25.41080 
1 1 1  -25    3   54 o  154.693   7.7365   67.056   6.4554   70.906   9.0766   63.116   9.1829  159.385   10.539  150.002   11.329 9.382980 15.47295 
1 1 1  -25    3   55 o  143.814   7.8771   58.112   6.1198   56.262   8.6050   60.006   8.7052  141.439   11.259  146.189   11.020 -4.750092 15.75427 
1 1 1  -25    3   56 o   57.484   14.537   9.6415   5.7152   10.214   8.2389   9.1106   7.9347   58.663   20.775   56.304   20.338 2.359154 29.07302 
1 1 1  -25    3   57 f  115.700   10.549   39.931   6.4777   47.127   9.0694   32.437   9.2551  127.554   13.158  103.847   16.493 23.70659 21.09880 
1 1 1  -25    3   58 o   77.873   16.626   19.378   7.3064   28.063   12.652   15.033   8.9494   88.521   25.226   67.226   21.665 21.29511 33.25238 
1 1 1  -25    3   61 o  155.556   8.9109   71.619   7.4183   60.516   10.399   83.125   10.586  142.235   13.529  168.878   11.600 -26.64310 17.82181 
1 1 1  -25    3   62 o   81.175   14.281   24.241   6.6404   14.745   9.4937   33.337   9.2915   62.462   22.282   99.887   17.870 -37.42513 28.56289 
1 1 1  -25    4    1 o  344.511   6.3892  323.805   11.311  311.712   19.056  330.384   14.055  339.447   10.389  349.574   7.4405 -10.12701 12.77831 
1 1 1  -25    4    2 o  710.229   12.463  1365.35   47.831   0.0000   0.0000  1365.35   47.831  ?   ?   710.229   12.463      ?      ? 
1 1 1  -25    4    3 o  561.773   10.341  854.740   31.391  842.568   44.211  867.117   44.580  557.735   14.669  565.811   14.581 -8.075500 20.68291 
1 1 1  -25    4    4 o  178.016   8.4140   87.249   7.9526   72.095   11.619  100.608   10.908  163.186   13.176  192.845   10.468 -29.65982 16.82802 
1 1 1  -25    4    5 o  418.852   5.9353  474.449   13.432  466.968   19.030  481.876   18.961  415.558   8.4746  422.145   8.3122 -6.587860 11.87060 
1 1 1  -25    4    6 o  870.912   12.986  2080.72   58.585  1973.42   96.557  2143.23   73.701  852.417   20.963  889.406   15.335 -36.98877 25.97287 
1 1 1  -25    4    7 o  366.025   5.5438  362.175   10.964  355.398   15.394  369.152   15.619  362.550   7.8576  369.500   7.8225 -6.949921 11.08758 
1 1 1  -25    4    8 o  303.076   6.3465  246.171   9.8496  241.531   12.073  255.405   17.032  298.890   7.4751  307.263   10.258 -8.373016 12.69290 
1 1 1  -25    4    9 f  257.263   5.1614  178.525   7.1645  186.236   10.488  171.779   9.8104  262.457   7.3950  252.069   7.2024 10.38849 10.32286 
1 1 1  -25    4   10 o  580.984   7.5001  913.234   23.546  908.687   33.280  917.792   33.318  579.535   10.627  582.434   10.586 -2.899109 15.00024 
1 1 1  -25    4   11 o  382.266   5.7390  395.027   11.852  383.681   16.630  406.739   16.896  376.687   8.1703  387.845   8.0618 -11.15796 11.47805 
1 1 1  -25    4   12 o  726.098   9.0561  1426.85   35.526  1407.35   49.666  1447.27   50.837  721.027   12.747  731.168   12.867 -10.14124 18.11228 
1 1 1  -25    4   13 o  306.586   5.3786  253.773   8.9039  263.719   12.900  244.724   12.305  312.314   7.6440  300.858   7.5688 11.45557 10.75720 
1 1 1  -25    4   14 o  301.456   5.4552  245.439   8.8793  252.178   12.870  239.318   12.266  305.398   7.7989  297.514   7.6297 7.884552 10.91032 
1 1 1  -25    4   15 o  332.633   5.5558  299.177   9.9825  298.882   14.308  299.457   13.935  332.469   7.9640  332.796   7.7487 -0.3267822 11.11156 
1 1 1  -25    4   16 o  125.424   8.1764   42.644   5.5296   45.793   7.8095   39.477   7.8305  130.084   11.110  120.765   11.999 9.319778 16.35288 
1 1 1  -25    4   17 o  605.577   7.8291  992.036   25.612  975.113   35.704  1009.98   36.761  600.264   11.008  610.889   11.136 -10.62445 15.65822 
1 1 1  -25    4   18 o  632.672   8.1236  1083.28   27.770  1072.40   38.951  1094.53   39.602  629.444   11.452  635.899   11.525 -6.455261 16.24717 
1 1 1  -25    4   19 o  654.682   8.3572  1160.07   29.561  1169.69   42.224  1150.82   41.399  657.337   11.887  652.027   11.750 5.309753 16.71434 
1 1 1  -25    4   20 o  379.298   8.4927  389.097   17.407  389.097   17.407   0.0000   0.0000  379.298   8.4927  ?   ?       ?      ? 
1 1 1  -25    4   21 o  323.375   5.7650  282.694   10.071  288.877   14.436  276.831   14.058  326.818   8.1742  319.933   8.1316 6.884979 11.52998 
1 1 1  -25    4   22 o  591.603   7.7424  947.016   24.742  926.911   34.437  968.468   35.573  585.123   10.892  598.083   11.007 -12.95966 15.48485 
1 1 1  -25    4   23 o  303.298   5.7535  248.920   9.4258  241.643   13.356  256.141   13.304  298.874   8.2700  307.722   8.0010 -8.847534 11.50692 
1 1 1  -25    4   24 o  645.964   8.2961  1129.78   28.949  1146.02   41.576  1114.50   40.332  650.454   11.829  641.473   11.636 8.981506 16.59222 
1 1 1  -25    4   25 o  239.231   6.0766  154.846   7.8550  154.186   11.051  155.521   11.167  238.716   8.5672  239.745   8.6198 -1.029663 12.15311 
1 1 1  -25    4   26 f  264.666   5.7245  189.195   8.1768  202.910   11.825  176.628   11.319  273.846   7.9911  255.486   8.1988 18.35930 11.44897 
1 1 1  -25    4   27 o  138.990   8.1221   52.323   6.0932   48.912   8.4892   55.949   8.7508  134.312   11.697  143.668   11.272 -9.355713 16.24411 
1 1 1  -25    4   28 o  899.363   11.080  2199.46   53.841  2219.23   76.898  2180.45   75.410  903.295   15.754  895.431   15.585 7.863831 22.16058 
1 1 1  -25    4   29 o  262.358   5.7915  185.799   8.1983  173.314   11.274  199.808   11.943  253.028   8.2459  271.688   8.1347 -18.65965 11.58309 
1 1 1  -25    4   30 o  683.184   10.722  1261.23   37.008  1245.50   44.845  1294.82   65.526  677.389   12.251  688.979   17.600 -11.58990 21.44449 
1 1 1  -25    4   31 o  669.318   17.177  1222.97   62.127   0.0000   0.0000  1222.97   62.127  ?   ?   669.318   17.177      ?      ? 
1 1 1  -25    4   33 o  572.810   10.772  893.552   33.289  927.252   48.784  864.189   45.537  582.798   15.491  562.822   14.973 19.97626 21.54436 
1 1 1  -25    4   34 f  320.329   5.7970  278.124   10.034  280.004   14.191  276.245   14.190  321.414   8.1707  319.243   8.2257 2.171631 11.59407 
1 1 1  -25    4   35 o  245.931   5.9758  163.666   7.9289  151.482   10.950  177.097   11.496  236.316   8.5749  255.545   8.3253 -19.22900 11.95157 
1 1 1  -25    4   36 o  180.580   6.7204   88.679   6.5377   80.068   9.1758   97.558   9.3174  171.626   9.8940  189.534   9.0974 -17.90810 13.44075 
1 1 1  -25    4   37 f  117.456   9.0800   37.634   5.7584   38.473   8.3436   36.872   7.9574  118.688   13.009  116.224   12.670 2.463844 18.15993 
1 1 1  -25    4   38 o  258.728   5.7407  181.564   8.0230  188.477   11.498  175.005   11.200  263.531   8.0741  253.926   8.1628 9.605072 11.48143 
1 1 1  -25    4   39 o  322.789   5.8011  282.937   10.117  287.603   14.449  278.448   14.171  325.397   8.2172  320.181   8.1908 5.215851 11.60223 
1 1 1  -25    4   40 f  367.865   5.9804  367.978   11.888  368.631   16.834  367.328   16.790  368.190   8.4613  367.540   8.4538 0.6495361 11.96081 
1 1 1  -25    4   41 o  311.209   5.6918  263.246   9.5701  256.813   13.426  269.891   13.645  307.336   8.0843  315.082   8.0143 -7.745453 11.38355 
1 1 1  -25    4   42 o  389.693   6.0574  413.428   12.755  412.025   18.115  414.808   17.962  389.019   8.6175  390.366   8.5152 -1.347137 12.11486 
1 1 1  -25    4   43 o   98.258   10.042   26.731   5.3230   26.117   7.7003   27.293   7.3664   97.100   14.676   99.416   13.712 -2.316360 20.08492 
1 1 1  -25    4   44 o  361.938   5.8710  357.199   11.482  356.295   16.254  358.099   16.223  361.473   8.3213  362.402   8.2843 -0.9285889 11.74199 
1 1 1  -25    4   45 f  210.301   6.0910  120.918   6.9029  110.297   9.7300  131.681   9.7947  200.900   8.9628  219.702   8.2503 -18.80231 12.18193 
1 1 1  -25    4   46 o  135.296   7.6636   50.334   5.6011   51.979   8.0259   48.771   7.8205  137.458   10.805  133.135   10.871 4.322968 15.32726 
1 1 1  -25    4   47 o  110.850   9.0124   34.315   5.3709   31.016   7.6922   37.453   7.5025  105.437   13.501  116.264   11.942 -10.82671 18.02475 
1 1 1  -25    4   48 o   81.604   12.635   19.799   5.4142   18.406   7.8522   21.063   7.4755   78.499   18.766   84.708   16.924 -6.208641 25.26985 
1 1 1  -25    4   49 o  116.104   8.9956   37.962   5.5666   30.915   7.8561   45.068   7.8886  104.833   13.868  127.375   11.461 -22.54228 17.99130 
1 1 1  -25    4   50 o   52.208   13.794   6.3802   5.3447   3.6173   7.6872   8.9657   7.4362   47.467   19.243   56.950   19.769 -9.483257 27.58807 
1 1 1  -25    4   51 o   78.924   11.537   17.930   5.5330   2.5731   7.5566   35.679   8.1239   45.373   18.809  112.474   13.367 -67.10155 23.07479 
1 1 1  -25    4   52 o  108.098   9.7775   33.192   5.6997   35.946   8.1418   30.545   7.9816  112.666   13.373  103.530   14.267 9.136375 19.55504 
1 1 1  -25    4   53 o   57.377   14.118   9.4655   5.3652   9.9054   7.6326   9.0357   7.5434   58.306   20.041   56.448   19.891 1.858349 28.23617 
1 1 1  -25    4   54 o   64.545   13.841   12.514   5.7144   18.854   7.9009   5.5588   8.2750   78.086   18.923   51.004   20.204 27.08241 27.68154 
1 1 1  -25    4   55 f  147.038   8.3293   60.723   6.5583   72.877   9.6709   50.374   8.9237  160.926   11.121  133.149   12.403 27.77753 16.65861 
1 1 1  -25    4   56 o  138.444   8.6969   54.585   6.5030   53.511   9.2735   55.624   9.1218  136.971   12.529  139.917   12.065 -2.946106 17.39382 
1 1 1  -25    4   57 o   38.154   12.274  -5.8893   5.8618   3.1210   8.6267 -13.6176   7.9895   46.606   19.757   29.701   14.569 16.90545 24.54806 
1 1 1  -25    4   58 o  181.338   10.914   98.044   10.509   77.613   14.637  119.775   15.096  160.095   16.920  202.580   13.790 -42.48445 21.82794 
1 1 1  -25    4   60 o   69.351   26.945   20.718   14.478   20.718   14.478   0.0000   0.0000   69.351   26.945  ?   ?       ?      ? 
1 1 1  -25    4   61 o   87.066   13.618   26.338   6.6529   14.355   9.5545   37.616   9.2691   63.547   22.387  110.585   15.512 -47.03744 27.23573 
1 1 1  -25    4   62 o   55.802   15.246   10.996   6.5813   9.0023   9.4387   12.883   9.1815   52.720   21.340   58.884   21.780 -6.163670 30.49195 
1 1 1  -25    5    1 o  635.883   9.7875  1101.92   32.003  1072.30   53.988  1117.97   39.737  629.018   15.883  642.748   11.441 -13.73004 19.57495 
1 1 1  -25    5    2 o  177.849   7.7314   89.357   6.2223   78.671   12.631   92.781   7.1500  170.445   13.714  185.253   7.1426 -14.80885 15.46271 
1 1 1  -25    5    3 o  382.363   8.1965  392.994   16.818  417.342   25.616  374.549   22.295  392.675   12.072  372.051   11.090 20.62482 16.39293 
1 1 1  -25    5    4 o  383.185   8.1433  395.825   16.797  413.964   25.084  381.081   22.615  391.094   11.869  375.277   11.152 15.81693 16.28661 
1 1 1  -25    5    5 o  234.557   5.1730  148.520   6.5462  152.505   9.5790  145.028   8.9668  237.501   7.4639  231.613   7.1646 5.888596 10.34608 
1 1 1  -25    5    6 o  322.771   6.7691  289.322   11.044  259.685   18.856  304.797   13.625  309.784   11.264  335.759   7.5097 -25.97470 13.53815 
1 1 1  -25    5    7 o  484.769   8.0995  646.785   20.216  598.874   33.543  674.115   25.334  470.303   13.199  499.234   9.3910 -28.93140 16.19890 
1 1 1  -25    5    8 o  439.493   7.5977  518.152   16.961  509.785   20.634  535.586   29.784  434.170   8.7950  444.816   12.391 -10.64526 15.19536 
1 1 1  -25    5    9 o  521.567   8.5353  728.829   22.494  715.657   27.219  757.207   39.952  514.366   9.7928  528.769   13.982 -14.40308 17.07068 
1 1 1  -25    5   11 o  705.710   8.8417  1348.07   33.717  1340.86   47.603  1355.32   47.763  703.817   12.517  707.603   12.492 -3.785522 17.68350 
1 1 1  -25    5   12 o  320.948   5.4840  277.044   9.4815  297.224   14.103  260.401   12.808  331.553   7.8719  310.343   7.6375 21.21002 10.96802 
1 1 1  -25    5   13 o  317.918   5.5131  272.709   9.4554  282.786   13.860  263.936   12.932  323.396   7.9311  312.440   7.6599 10.95633 11.02617 
1 1 1  -25    5   14 o  469.165   6.5333  595.341   16.560  595.756   23.651  594.942   23.195  469.320   9.3258  469.009   9.1523 0.3113708 13.06658 
1 1 1  -25    5   15 o  255.785   5.5588  176.943   7.6809  171.798   10.855  182.103   10.870  252.057   7.9698  259.513   7.7513 -7.455292 11.11757 
1 1 1  -25    5   16 o  344.890   5.6868  321.649   10.597  315.119   14.933  328.273   15.040  341.362   8.0958  348.418   7.9885 -7.055847 11.37358 
1 1 1  -25    5   17 o  338.231   5.7443  309.319   10.498  304.901   14.736  313.872   14.959  335.779   8.1217  340.683   8.1256 -4.904236 11.48854 
1 1 1  -25    5   18 o  534.394   7.1853  772.653   20.747  774.151   29.531  771.193   29.155  534.902   10.217  533.887   10.106 1.014587 14.37053 
1 1 1  -25    5   20 o  552.598   7.3679  825.888   21.989  840.777   31.730  812.132   30.500  557.377   10.535  547.819   10.303 9.557373 14.73572 
1 1 1  -25    5   21 o  160.799   7.4248   70.314   6.4127   78.676   9.0309   61.810   9.1075  170.505   9.8017  151.093   11.155 19.41277 14.84951 
1 1 1  -25    5   22 o  121.297   9.2440   39.873   6.0565   41.414   8.6112   38.363   8.5198  123.622   12.891  118.971   13.253 4.650726 18.48794 
1 1 1  -25    5   23 o  230.411   6.1162  143.542   7.6078  152.542   10.899  134.990   10.625  237.456   8.4938  223.366   8.8026 14.08943 12.23235 
1 1 1  -25    5   25 o  324.998   8.2677  285.802   14.519   0.0000   0.0000  285.802   14.519  ?   ?   324.998   8.2677      ?      ? 
1 1 1  -25    5   26 o  171.867   6.9187   80.108   6.4147   75.126   9.1030   85.022   9.0408  166.537   10.115  177.196   9.4420 -10.65845 13.83743 
1 1 1  -25    5   27 o  665.830   8.5171  1202.36   30.643  1207.51   43.547  1197.30   43.127  667.237   12.078  664.423   12.012 2.814697 17.03427 
1 1 1  -25    5   28 o  101.169   11.575   28.635   6.0965   32.459   8.4123   24.406   8.8476  109.300   14.243   93.038   18.251 16.26205 23.15059 
1 1 1  -25    5   29 o  161.531   7.4566   70.863   6.4934   75.995   9.1484   65.652   9.2182  167.458   10.110  155.604   10.963 11.85345 14.91319 
1 1 1  -25    5   30 o  362.208   8.5633  355.631   16.747  338.288   23.185  374.549   24.216  352.983   12.155  371.433   12.065 -18.45016 17.12662 
1 1 1  -25    5   31 o  535.726   14.691  781.757   42.529   0.0000   0.0000  781.757   42.529  ?   ?   535.726   14.691      ?      ? 
1 1 1  -25    5   32 o   75.631   25.469   14.957   12.322   0.0000   0.0000   14.957   12.322  ?   ?    75.631   25.469      ?      ? 
1 1 1  -25    5   33 o  625.891   11.567  1071.28   39.122  1068.92   55.327  1073.65   55.327  625.191   16.377  626.590   16.341 -1.398438 23.13484 
1 1 1  -25    5   34 o  333.619   5.8612  301.740   10.566  298.900   14.884  304.626   15.002  332.036   8.2958  335.203   8.2822 -3.166962 11.72243 
1 1 1  -25    5   35 o  152.312   7.6087   62.996   6.2541   58.655   8.6694   67.707   9.0310  146.834   10.926  157.791   10.592 -10.95703 15.21743 
1 1 1  -25    5   36 o  437.795   6.4324  520.474   15.215  512.159   21.330  529.089   21.711  434.237   9.0901  441.353   9.1035 -7.115356 12.86483 
1 1 1  -25    5   37 o  260.499   5.7399  184.131   8.0796  184.019   11.401  184.244   11.452  260.422   8.1016  260.576   8.1331 -0.1545105 11.47972 
1 1 1  -25    5   38 o  189.076   6.4964   97.176   6.6367   99.203   9.4294   95.186   9.3426  191.037   9.1343  187.116   9.2400 3.920731 12.99281 
1 1 1  -25    5   39 o  117.632   8.8893   37.599   5.6160   43.967   8.3110   32.247   7.6185  126.783   12.131  108.481   12.996 18.30170 17.77852 
1 1 1  -25    5   40 o  341.292   5.8295  316.696   10.748  317.134   15.373  316.276   15.034  341.500   8.3304  341.083   8.1571 0.4172974 11.65910 
1 1 1  -25    5   41 o  299.281   5.7639  243.591   9.3214  243.015   13.163  244.171   13.202  298.926   8.1492  299.635   8.1536 -0.7091980 11.52782 
1 1 1  -25    5   42 o  170.972   6.6375   79.933   6.1159   74.966   8.7719   84.632   8.5316  165.718   9.7957  176.226   8.9593 -10.50778 13.27495 
1 1 1  -25    5   43 o  222.419   5.8353  134.666   7.0091  138.476   10.130  131.168   9.7077  225.419   8.3166  219.420   8.1876 5.999496 11.67058 
1 1 1  -25    5   44 o  221.630   5.9828  134.043   7.1498  122.849   10.019  145.658   10.206  212.127   8.7407  231.132   8.1718 -19.00554 11.96565 
1 1 1  -25    5   45 o  213.639   6.0469  124.664   6.9782  123.393   9.9708  125.884   9.7697  212.537   8.6818  214.741   8.4193 -2.203903 12.09372 
1 1 1  -25    5   46 f   71.738   13.450   15.373   5.3481   12.672   7.8426   17.721   7.3120   65.910   20.152   77.566   17.820 -11.65672 26.90034 
1 1 1  -25    5   47 o   58.573   14.033   9.4604   5.3522   11.367   7.3974   7.3660   7.7535   62.569   19.645   54.577   20.044 7.991783 28.06574 
1 1 1  -25    5   48 o  142.136   7.7087   55.875   5.9172   53.668   8.3647   58.086   8.3716  139.261   11.116  145.011   10.684 -5.750381 15.41744 
1 1 1  -25    5   49 o   41.932   12.768   0.3056   5.2436   0.7102   7.2820  -0.1301   7.5569   42.158   18.020   41.705   18.095 0.4522552 25.53699 
1 1 1  -25    5   50 o  238.964   5.8821  156.258   7.5821  164.671   11.133  148.979   10.355  244.903   8.4122  233.025   8.2237 11.87840 11.76413 
1 1 1  -25    5   51 o   77.287   13.214   17.985   5.5851   24.554   8.1892   12.273   7.6368   90.709   17.339   63.865   19.945 26.84369 26.42850 
1 1 1  -25    5   52 o  103.838   10.824   32.020   5.7470   24.872   8.3497   38.455   7.9223   90.890   17.637  116.786   12.554 -25.89569 21.64841 
1 1 1  -25    5   53 f   56.629   14.361   8.9472   5.6471   6.8600   8.2994   10.747   7.7059   53.198   20.476   60.060   20.142 -6.862083 28.72175 
1 1 1  -25    5   54 o  102.786   10.876   31.350   5.7795   26.448   8.4751   35.612   7.9019   93.611   17.395  111.961   13.061 -18.34952 21.75235 
1 1 1  -25    5   55 o  137.266   8.5858   53.273   6.3540   58.048   9.3376   49.155   8.6713  143.001   12.084  131.531   12.200 11.47079 17.17164 
1 1 1  -25    5   56 f   35.899   11.935  -8.5787   6.0036  -1.8295   8.8855 -14.2479   8.1435   41.807   18.799   29.991   14.711 11.81549 23.87094 
1 1 1  -25    5   57 o   71.361   15.063   17.119   6.3114   14.436   8.8844   19.852   8.9676   65.781   21.612   76.941   20.988 -11.16047 30.12580 
1 1 1  -25    5   58 o   79.074   27.332   22.883   14.206   22.883   14.206   0.0000   0.0000   79.074   27.332  ?   ?       ?      ? 
1 1 1  -25    5   60 o   58.587   17.483   11.878   9.4863   12.466   13.316   11.273   13.517   59.207   24.791   57.967   24.658 1.239719 34.96612 
1 1 1  -25    5   61 o   52.464   14.651   7.5108   6.4035   2.6265   9.1849   12.130   8.9324   45.498   19.843   59.431   21.561 -13.93363 29.30228 
1 1 1  -25    5   62 o  110.194   12.205   40.210   6.9998   33.408   9.7459   47.459   10.060   98.002   19.090  122.387   15.212 -24.38521 24.40949 
1 1 1  -25    6    1 o  769.983   9.5430  1605.28   39.705  1592.89   55.943  1617.86   56.362  766.989   13.498  772.978   13.494 -5.989258 19.08597 
1 1 1  -25    6    2 o  274.183   6.8899  207.490   9.2403  193.491   16.918  213.441   11.031  267.389   11.709  280.978   7.2654 -13.58923 13.77980 
1 1 1  -25    6    3 o  411.503   8.6238  458.333   19.166  458.333   27.544  458.333   26.687  411.491   12.387  411.514   12.001 -0.2331543E-01 17.24752 
1 1 1  -25    6    4 o  362.271   8.2543  355.339   16.139  351.577   23.343  358.784   22.337  360.417   11.986  364.125   11.352 -3.707825 16.50856 
1 1 1  -25    6    5 o  431.206   6.1566  502.923   14.342  498.058   20.453  507.630   20.117  429.149   8.8197  433.263   8.5924 -4.114563 12.31327 
1 1 1  -25    6    6 o  1028.33   12.463  2867.36   69.248  2841.36   97.217  2894.15   98.661  1023.61   17.576  1033.05   17.674 -9.443359 24.92571 
1 1 1  -25    6    7 o  162.934   14.800   71.914   13.030   71.914   13.030   0.0000   0.0000  162.934   14.800  ?   ?       ?      ? 
1 1 1  -25    6    8 o  640.490   10.045  1116.88   32.834  1093.02   56.350  1129.15   40.400  635.024   16.422  645.955   11.574 -10.93011 20.09072 
1 1 1  -25    6    9 f  557.311   8.9861  841.365   25.649  842.609   31.600  838.964   43.911  558.086   10.478  556.537   14.601 1.549438 17.97218 
1 1 1  -25    6   10 o  189.885   12.156   97.590   12.473   0.0000   0.0000   97.590   12.473  ?   ?   189.885   12.156      ?      ? 
1 1 1  -25    6   11 o  448.600   6.3521  544.282   15.397  538.102   21.795  550.440   21.755  446.055   9.0422  451.146   8.9240 -5.090698 12.70427 
1 1 1  -25    6   12 f  999.045   12.135  2706.55   65.513  2698.07   92.517  2715.07   92.783  997.476   17.164  1000.61   17.160 -3.137573 24.27090 
1 1 1  -25    6   13 o  773.798   9.6150  1621.32   40.199  1600.38   56.343  1643.04   57.372  768.714   13.564  778.882   13.632 -10.16772 19.23010 
1 1 1  -25    6   14 o  319.624   7.7577  276.241   13.399   0.0000   0.0000  276.241   13.399  ?   ?   319.624   7.7577      ?      ? 
1 1 1  -25    6   15 o  250.972   5.6841  170.333   7.7075  166.518   10.873  174.187   10.928  248.145   8.1085  253.799   7.9681 -5.653580 11.36828 
1 1 1  -25    6   16 o  388.387   6.0125  407.767   12.615  397.284   17.625  418.778   18.065  383.271   8.5102  393.503   8.4955 -10.23221 12.02491 
1 1 1  -25    6   17 o  291.669   5.8372  229.938   9.1964  221.236   12.855  239.061   13.162  286.017   8.3175  297.321   8.1922 -11.30365 11.67448 
1 1 1  -25    6   18 o  684.485   8.7096  1267.93   32.200  1288.95   46.370  1248.36   44.749  689.946   12.437  679.023   12.196 10.92322 17.41922 
1 1 1  -25    6   19 o  465.103   6.6243  585.251   16.648  584.984   23.663  585.513   23.426  464.995   9.4173  465.211   9.3189 -0.2165833 13.24869 
1 1 1  -25    6   20 o  304.694   5.8034  251.128   9.5541  246.620   13.489  255.666   13.534  301.948   8.2675  307.441   8.1465 -5.492981 11.60676 
1 1 1  -25    6   21 o  364.915   5.9235  360.252   11.679  359.104   16.600  361.378   16.435  364.336   8.4320  365.494   8.3217 -1.157867 11.84691 
1 1 1  -25    6   22 o  267.512   8.2273  193.586   11.893   0.0000   0.0000  193.586   11.893  ?   ?   267.512   8.2273      ?      ? 
1 1 1  -25    6   23 o  276.489   5.8243  206.733   8.6998  210.326   12.467  203.321   12.146  278.829   8.2742  274.150   8.1991 4.679169 11.64855 
1 1 1  -25    6   24 o  228.420   6.1244  139.966   7.5249  124.506   10.138  158.934   11.229  214.492   8.7468  242.348   8.5749 -27.85580 12.24885 
1 1 1  -25    6   25 o  469.221   6.6741  596.091   16.920  600.564   24.146  591.775   23.717  470.945   9.4883  467.497   9.3886 3.447845 13.34815 
1 1 1  -25    6   26 o  106.842   10.309   30.985   5.9484   29.626   8.2797   32.434   8.5516  104.419   14.674  109.265   14.484 -4.845490 20.61796 
1 1 1  -25    6   27 o  229.700   6.1665  142.867   7.6521  143.631   10.720  142.074   10.927  230.333   8.6126  229.068   8.8275 1.264267 12.33296 
1 1 1  -25    6   28 o  404.039   6.2417  442.008   13.626  446.838   19.419  437.323   19.125  406.211   8.8469  401.867   8.8072 4.344086 12.48342 
1 1 1  -25    6   29 o  336.337   8.2768  306.922   15.040  304.279   21.040  309.685   21.508  334.866   11.627  337.808   11.783 -2.941711 16.55367 
1 1 1  -25    6   30 o  370.690   8.5744  372.745   17.164  357.432   23.774  389.414   24.805  362.749   12.128  378.631   12.124 -15.88202 17.14884 
1 1 1  -25    6   32 o  218.618   8.6009  130.482   10.084  125.383   15.047  134.640   13.586  214.628   12.974  222.608   11.295 -7.980164 17.20174 
1 1 1  -25    6   33 o  377.318   7.3972  383.338   14.205  376.887   17.315  396.622   24.844  372.825   8.5946  381.810   12.042 -8.985352 14.79432 
1 1 1  -25    6   34 o  368.234   5.9418  367.764   11.822  360.036   16.668  375.587   16.769  364.330   8.4665  372.137   8.3391 -7.806793 11.88364 
1 1 1  -25    6   35 o  368.199   5.9370  367.299   11.803  351.297   16.310  384.890   17.101  359.795   8.3892  376.603   8.4032 -16.80710 11.87402 
1 1 1  -25    6   36 o  232.226   6.0176  146.346   7.5501  142.801   10.591  150.010   10.766  229.363   8.5452  235.090   8.4749 -5.727478 12.03515 
1 1 1  -25    6   37 o  170.799   6.7822   79.219   6.2548   81.757   9.0643   76.912   8.6422  173.398   9.6739  168.201   9.5084 5.197601 13.56445 
1 1 1  -25    6   38 o  164.251   7.0915   73.382   6.2900   71.122   8.7054   75.851   9.0984  161.616   9.9682  166.886   10.089 -5.269882 14.18299 
1 1 1  -25    6   39 o   71.088   13.988   14.488   5.5645   15.784   8.1690   13.366   7.6005   73.871   19.982   68.305   19.581 5.566277 27.97656 
1 1 1  -25    6   40 o  312.890   5.7083  266.244   9.6484  260.121   13.695  272.279   13.595  309.287   8.1943  316.493   7.9495 -7.205261 11.41670 
1 1 1  -25    6   41 o   85.249   12.101   20.753   5.4614   24.762   7.7180   16.732   7.7291   94.635   15.093   75.864   18.919 18.77035 24.20123 
1 1 1  -25    6   42 o  208.016   6.0144  117.828   6.7553  119.194   9.7694  116.577   9.3511  209.143   8.6444  206.890   8.3644 2.252777 12.02870 
1 1 1  -25    6   43 o   99.873   9.8783   27.365   5.2967   32.110   7.9094   23.507   7.1320  107.711   13.589   92.035   14.341 15.67578 19.75662 
1 1 1  -25    6   44 o  108.351   9.4552   32.698   5.4860   27.781   7.7610   37.608   7.7558   99.958   14.368  116.744   12.294 -16.78603 18.91048 
1 1 1  -25    6   45 o  102.535   9.5208   29.143   5.2623   32.067   7.5972   26.446   7.2960  107.550   13.072   97.520   13.845 10.03004 19.04154 
1 1 1  -25    6   46 o   41.930   12.748  -0.1287   5.2834  -2.6667   7.6556   2.1795   7.3007   39.127   17.532   44.732   18.511 -5.604595 25.49590 
1 1 1  -25    6   47 o  100.440   9.8466   28.124   5.3324   30.290   7.8582   26.276   7.2596  103.994   13.984   96.886   13.866 7.108391 19.69323 
1 1 1  -25    6   48 o   71.729   12.362   14.867   5.4631   4.5623   7.7378   25.108   7.7142   49.278   19.532   94.180   15.158 -44.90223 24.72364 
1 1 1  -25    6   49 o  112.083   9.6708   35.537   5.7984   29.883   8.1798   41.248   8.2206  102.712   14.738  121.453   12.526 -18.74156 19.34166 
1 1 1  -25    6   50 o   51.786   13.381   5.1411   5.5298  -2.6881   8.0374   12.178   7.6200   39.733   17.872   63.839   19.921 -24.10603 26.76276 
1 1 1  -25    6   51 o   47.874   13.059   2.0156   5.4527   10.899   7.9516  -5.8695   7.4916   60.936   20.460   34.812   16.235 26.12370 26.11869 
1 1 1  -25    6   52 o   59.408   14.111   10.299   5.5436   6.3836   8.2028   13.591   7.5211   52.380   20.301   66.436   19.605 -14.05586 28.22205 
1 1 1  -25    6   53 o   55.221   14.222   8.1502   5.5647   10.441   7.9471   5.9468   7.7946   59.562   20.451   50.879   19.770 8.682507 28.44442 
1 1 1  -25    6   54 o  122.581   9.1120   42.733   6.0178   42.737   8.8485   42.729   8.2083  122.345   13.384  122.816   12.368 -0.4708633 18.22400 
1 1 1  -25    6   55 o   56.797   14.045   8.8289   5.8062   2.1541   8.5576   14.523   7.9037   45.971   19.589   67.622   20.132 -21.65092 28.08955 
1 1 1  -25    6   56 f  117.034   10.338   40.380   6.4950   37.384   9.4654   43.046   8.9286  112.268   15.603  121.800   13.566 -9.532570 20.67542 
1 1 1  -25    6   57 o   51.211   15.493   3.3418   7.0965   8.5450   12.768   1.0160   8.5364   58.698   24.401   43.725   19.098 14.97337 30.98583 
1 1 1  -25    6   60 o   92.699   16.960   28.761   8.0732   45.450   14.890   21.812   9.6080  108.060   25.848   77.337   21.963 30.72365 33.91917 
1 1 1  -25    6   61 o   44.107   13.656   1.6597   6.4300  -3.4554   9.3661   6.2196   8.8432   39.153   18.223   49.060   20.343 -9.907326 27.31173 
1 1 1  -25    7    1 o  448.913   8.8079  544.985   21.366   0.0000   0.0000  544.985   21.366  ?   ?   448.913   8.8079      ?      ? 
1 1 1  -25    7    2 o  833.732   14.656  1884.99   65.970  1827.25   90.952  1949.10   95.831  820.320   20.518  847.143   20.934 -26.82281 29.31284 
1 1 1  -25    7    3 f  585.760   10.925  929.693   34.578  915.315   48.839  944.144   48.963  581.208   15.551  590.312   15.350 -9.103699 21.85029 
1 1 1  -25    7    4 o  722.020   11.165  1402.08   40.784  1382.92   49.460  1442.79   72.090  714.736   12.806  729.304   18.293 -14.56866 22.32984 
1 1 1  -25    7    5 o  494.917   6.7387  661.876   18.002  675.385   26.181  649.762   24.792  499.693   9.6961  490.141   9.3607 9.551758 13.47731 
1 1 1  -25    7    6 o  362.891   5.7448  356.229   11.255  352.346   16.211  359.844   15.640  360.974   8.3107  364.808   7.9338 -3.834167 11.48970 
1 1 1  -25    7    7 o  692.907   8.7395  1299.62   32.722  1292.61   46.316  1306.60   46.236  691.038   12.403  694.777   12.315 -3.738342 17.47901 
1 1 1  -25    7    8 o  728.878   11.318  1421.27   41.098  1487.84   75.045  1392.75   49.118  740.488   18.755  717.268   12.673 23.22015 22.63500 
1 1 1  -25    7    9 o  803.108   12.264  1743.77   49.771  1764.41   87.804  1733.99   60.415  806.074   20.158  800.142   13.973 5.931763 24.52752 
1 1 1  -25    7   10 o  122.350   10.477   39.231   6.6224   36.331   8.1129   45.023   11.464  115.835   12.961  128.865   16.463 -13.02938 20.95326 
1 1 1  -25    7   11 o  410.986   7.5102  453.858   15.699  447.748   19.136  466.441   27.459  406.884   8.7033  415.088   12.242 -8.204285 15.02050 
1 1 1  -25    7   12 o  699.199   8.8361  1322.17   33.362  1285.10   46.139  1362.79   48.296  688.952   12.393  709.447   12.598 -20.49457 17.67225 
1 1 1  -25    7   13 o  256.567   5.7226  178.251   7.9172  164.806   11.190  191.728   11.203  246.858   8.3886  266.277   7.7863 -19.41835 11.44530 
1 1 1  -25    7   14 o  251.724   5.7055  171.480   7.7548  164.876   11.020  177.959   10.914  246.914   8.2594  256.534   7.8735 -9.620590 11.41098 
1 1 1  -25    7   15 o  600.096   7.8232  974.514   25.365  979.279   36.219  969.927   35.534  601.528   11.143  598.663   10.984 2.864929 15.64650 
1 1 1  -25    7   16 o  400.368   6.1568  433.387   13.313  438.147   19.184  428.966   18.490  402.482   8.8206  398.254   8.5921 4.228210 12.31366 
1 1 1  -25    7   17 o  244.586   6.0247  161.801   7.9603  161.848   11.396  161.755   11.124  244.618   8.6212  244.554   8.4180 0.6405640E-01 12.04940 
1 1 1  -25    7   18 o  656.359   8.4190  1166.27   29.850  1179.46   42.883  1153.87   41.574  659.943   12.025  652.775   11.786 7.168030 16.83809 
1 1 1  -25    7   19 o  245.122   5.9929  162.580   7.9355  158.095   11.229  167.055   11.216  241.740   8.5960  248.505   8.3527 -6.764694 11.98577 
1 1 1  -25    7   20 o  383.847   6.0174  398.588   12.478  399.427   17.856  397.788   17.445  384.236   8.5998  383.457   8.4191 0.7786865 12.03483 
1 1 1  -25    7   21 o  282.830   5.7986  216.360   8.8613  218.449   12.641  214.342   12.425  284.171   8.2324  281.490   8.1685 2.681274 11.59725 
1 1 1  -25    7   22 o  321.072   5.7763  278.869   10.020  271.434   14.113  286.424   14.228  316.754   8.2454  325.390   8.0917 -8.636749 11.55257 
1 1 1  -25    7   23 o  423.003   6.3104  483.185   14.407  461.100   19.802  508.024   21.000  412.760   8.8780  433.246   8.9702 -20.48611 12.62080 
1 1 1  -25    7   24 o  132.795   8.4634   48.267   6.0149   42.925   8.7939   52.963   8.2453  125.786   12.938  139.803   10.914 -14.01755 16.92671 
1 1 1  -25    7   25 o  246.223   5.8674  164.115   7.8050  160.075   11.027  168.170   11.049  243.182   8.3918  249.265   8.2027 -6.083084 11.73484 
1 1 1  -25    7   26 o  453.751   6.5431  557.401   16.040  542.210   22.476  573.168   22.898  447.448   9.2957  460.055   9.2107 -12.60614 13.08615 
1 1 1  -25    7   27 o  352.723   5.9537  336.822   11.345  337.337   16.227  336.331   15.867  352.979   8.5077  352.467   8.3310 0.5116272 11.90738 
1 1 1  -25    7   28 o  178.153   8.7834   84.636   8.2614   79.442   10.477   93.176   13.434  171.128   11.330  185.179   13.425 -14.05148 17.56688 
1 1 1  -25    7   29 o  567.905   10.737  878.493   32.946  868.919   46.329  888.288   46.863  564.776   15.180  571.034   15.187 -6.258057 21.47309 
1 1 1  -25    7   30 o  506.232   13.907  697.748   38.043   0.0000   0.0000  697.748   38.043  ?   ?   506.232   13.907      ?      ? 
1 1 1  -25    7   31 o  204.986   9.1575  114.971   10.056  109.009   15.016  119.820   13.540  200.030   13.892  209.942   11.935 -9.912308 18.31490 
1 1 1  -25    7   32 o   82.531   16.863   18.937   8.0506   24.347   11.824   14.261   10.992   92.003   23.652   73.059   24.041 18.94343 33.72545 
1 1 1  -25    7   33 f  332.917   5.8271  300.521   10.476  300.610   15.086  300.437   14.559  332.944   8.3854  332.890   8.0935 0.5371094E-01 11.65417 
1 1 1  -25    7   34 o  290.650   5.8347  229.240   9.1617  225.837   13.036  232.561   12.879  288.502   8.3618  292.798   8.1399 -4.295898 11.66949 
1 1 1  -25    7   35 o  102.036   10.932   29.417   5.7558   23.165   8.2339   35.391   8.0490   90.245   17.516  113.827   13.086 -23.58171 21.86476 
1 1 1  -25    7   36 o  213.948   6.0889  123.984   7.0123  127.527   10.445  121.076   9.4616  216.686   8.9204  211.210   8.2901 5.476593 12.17782 
1 1 1  -25    7   37 o   61.266   14.187   9.9598   5.4754   12.357   7.8383   7.6753   7.6519   66.330   20.117   56.203   20.009 10.12738 28.37363 
1 1 1  -25    7   38 o  288.068   5.7519  225.521   8.9362  224.808   13.038  226.154   12.272  287.586   8.3897  288.549   7.8708 -0.9635010 11.50377 
1 1 1  -25    7   39 o  503.510   7.0131  689.879   19.046  713.851   27.966  669.143   26.010  511.557   10.117  495.462   9.7150 16.09427 14.02612 
1 1 1  -25    7   40 o  253.115   5.7316  174.330   7.8336  171.210   11.235  177.281   10.928  250.872   8.2879  255.357   7.9194 -4.485062 11.46328 
1 1 1  -25    7   41 o  185.896   6.4837   94.179   6.5007   94.898   9.5055   93.547   8.9102  186.514   9.4314  185.278   8.8997 1.235458 12.96747 
1 1 1  -25    7   42 o  239.511   5.7692  154.373   7.4075  171.432   11.385  141.850   9.7545  250.784   8.4013  228.237   7.9092 22.54700 11.53848 
1 1 1  -25    7   43 o  122.170   8.6480   41.156   5.7088   41.431   8.0503   40.877   8.0968  122.596   12.152  121.743   12.308 0.8526611 17.29608 
1 1 1  -25    7   44 o  103.452   9.9139   29.306   5.4726   36.662   8.2550   23.538   7.3097  115.012   13.283   91.891   14.721 23.12092 19.82770 
1 1 1  -25    7   45 o  106.957   10.396   33.349   5.6173   24.035   8.1349   41.837   7.7660   90.838   17.203  123.075   11.677 -32.23752 20.79163 
1 1 1  -25    7   46 o   70.981   13.349   15.297   5.4268   9.5954   8.0453   20.058   7.3509   59.313   20.564   82.649   17.026 -23.33590 26.69801 
1 1 1  -25    7   47 o   92.568   11.068   24.497   5.3897   25.229   8.0858   23.911   7.2302   92.933   16.716   92.204   14.511 0.7283707 22.13624 
1 1 1  -25    7   48 o  148.475   7.7328   61.871   6.1222   53.513   8.9615   69.187   8.3836  138.581   11.967  158.369   9.7965 -19.78847 15.46554 
1 1 1  -25    7   49 o  124.004   8.9525   42.769   5.9629   49.842   8.7956   36.754   8.1116  133.589   12.185  114.419   13.120 19.16991 17.90492 
1 1 1  -25    7   50 o  163.868   7.2833   74.816   6.4164   69.670   9.3310   79.433   8.8375  158.238   10.913  169.498   9.6489 -11.26028 14.56663 
1 1 1  -25    7   51 o  121.688   9.3735   42.242   6.0596   33.501   8.5177   51.200   8.6223  108.264   14.560  135.112   11.810 -26.84789 18.74707 
1 1 1  -25    7   52 o   95.162   12.143   27.902   5.9179   20.975   8.8403   33.527   7.9660   81.861   20.126  108.462   13.592 -26.60062 24.28576 
1 1 1  -25    7   53 o   89.006   12.486   23.382   5.8758   29.312   8.8478   18.703   7.8591  100.245   16.334   77.768   18.889 22.47697 24.97192 
1 1 1  -25    7   54 o  129.409   9.0739   47.791   6.3435   48.892   8.9566   46.683   8.9856  131.001   12.653  127.818   13.010 3.182632 18.14782 
1 1 1  -25    7   55 o  138.438   8.7957   54.651   6.5746   54.436   9.4719   54.850   9.1333  138.022   12.700  138.854   12.172 -0.8325348 17.59136 
1 1 1  -25    7   56 o   51.387   14.447   6.4340   6.0498   4.5711   8.6164   8.2453   8.4962   48.568   20.105   54.205   20.752 -5.637154 28.89411 
1 1 1  -25    7   57 o   37.603   12.908 -17.3199   8.4980 -29.3919   12.741  -7.6464   11.405   33.507   16.765   41.699   19.633 -8.192101 25.81680 
1 1 1  -25    7   59 o   86.893   19.700   33.235   10.687   40.405   15.415   26.599   14.830   96.871   27.920   76.916   27.801 19.95499 39.40047 
1 1 1  -25    7   60 o   38.763   12.672  -4.9020   6.3704   1.5609   9.3282 -10.5503   8.7206   44.630   19.712   32.896   15.930 11.73380 25.34394 
1 1 1  -25    7   61 o   65.822   15.584   16.289   6.6069   21.030   9.8444   12.404   8.9122   73.481   22.596   58.163   21.469 15.31804 31.16883 
1 1 1  -25    8    1 o  380.628   7.5632  383.536   13.881  410.811   26.938  373.675   16.197  389.521   12.798  371.736   8.0634 17.78467 15.12645 
1 1 1  -25    8    2 o  226.581   9.5352  140.975   11.503  123.829   17.111  155.113   15.538  213.780   14.812  239.381   12.012 -25.60117 19.07050 
1 1 1  -25    8    3 o  679.557   12.354  1252.40   45.361  1230.86   63.708  1274.55   64.602  673.626   17.502  685.488   17.440 -11.86163 24.70796 
1 1 1  -25    8    4 o  1267.50   15.266  4363.25  104.497  4270.96  144.749  4463.71  151.012  1253.59   21.368  1281.41   21.809 -27.81958 30.53244 
1 1 1  -25    8    5 o  374.370   5.9643  379.176   12.045  376.215   17.514  381.832   16.592  372.972   8.6900  375.767   8.1715 -2.795441 11.92852 
1 1 1  -25    8    6 o  476.031   6.6624  613.059   17.135  602.405   24.289  623.614   24.176  471.908   9.5251  480.155   9.3178 -8.247772 13.32477 
1 1 1  -25    8    7 o  459.336   6.5174  570.157   16.168  546.605   22.497  595.317   23.252  449.532   9.2615  469.140   9.1722 -19.60815 13.03471 
1 1 1  -25    8    8 o  303.064   5.6311  248.818   9.2008  240.300   13.329  256.569   12.716  298.090   8.2751  308.037   7.6394 -9.946716 11.26223 
1 1 1  -25    8    9 o  321.558   7.3402  286.766   11.717  261.712   20.786  298.435   14.186  310.907   12.372  332.209   7.9023 -21.30215 14.68041 
1 1 1  -25    8   10 o  267.619   7.2964  196.347   9.4618  187.973   17.719  199.687   11.191  263.486   12.445  271.752   7.6210 -8.266327 14.59280 
1 1 1  -25    8   11 o   65.796   15.055   7.1884   6.5290  -0.0497   8.0331   21.275   11.207   44.652   19.002   86.939   23.357 -42.28709 30.10984 
1 1 1  -25    8   12 o  517.709   8.6827  713.130   22.559  692.844   27.071  759.234   40.812  506.055   9.8997  529.364   14.267 -23.30930 17.36547 
1 1 1  -25    8   13 o  174.210   6.9415   82.038   6.5083   82.851   9.6680   81.364   8.8013  174.989   10.224  173.431   9.3914 1.558060 13.88303 
1 1 1  -25    8   14 o  660.190   8.4559  1178.77   30.148  1146.65   41.762  1213.72   43.567  650.817   11.875  669.563   12.041 -18.74664 16.91178 
1 1 1  -25    8   15 o  420.631   6.3605  477.996   14.445  452.359   20.065  505.582   20.814  408.932   9.0801  432.330   8.9093 -23.39761 12.72096 
1 1 1  -25    8   16 o  140.148   8.4382   53.949   6.2933   44.550   9.0942   62.585   8.7179  128.234   13.124  152.061   10.610 -23.82761 16.87637 
1 1 1  -25    8   17 o  204.061   6.5103  112.922   7.1604  104.524   10.188  121.121   10.066  196.533   9.5929  211.588   8.8041 -15.05510 13.02060 
1 1 1  -25    8   18 o   50.159   13.277   2.5182   5.6056  -6.3513   8.1711   10.404   7.7044   37.694   17.360   62.624   20.093 -24.92990 26.55377 
1 1 1  -25    8   19 o  271.774   5.9367  199.818   8.6980  181.992   12.164  218.469   12.442  259.359   8.6795  284.189   8.1021 -24.83008 11.87340 
1 1 1  -25    8   20 o  577.884   7.6453  903.437   23.862  879.138   33.127  929.642   34.402  569.821   10.759  585.947   10.865 -16.12628 15.29051 
1 1 1  -25    8   21 o  196.023   6.5800  104.097   6.9630  100.469   9.9456  107.584   9.7516  192.661   9.5532  199.385   9.0510 -6.723770 13.15992 
1 1 1  -25    8   22 o  350.089   5.9095  331.348   11.167  338.119   16.240  325.276   15.380  353.468   8.5026  346.709   8.2094 6.758484 11.81897 
1 1 1  -25    8   23 o  181.734   6.8096   89.399   6.6599   89.923   9.8885   88.964   9.0097  182.202   10.044  181.265   9.1983 0.9366913 13.61914 
1 1 1  -25    8   24 f  311.845   5.8625  262.915   9.8726  271.976   14.277  254.613   13.667  316.984   8.3352  306.705   8.2462 10.27899 11.72503 
1 1 1  -25    8   25 o  660.713   8.4973  1183.88   30.331  1195.72   43.450  1172.63   42.359  663.914   12.111  657.511   11.922 6.402466 16.99468 
1 1 1  -25    8   26 o  335.567   5.8825  304.923   10.659  302.955   15.345  306.757   14.816  334.506   8.4895  336.627   8.1452 -2.120728 11.76504 
1 1 1  -25    8   27 o  100.122   14.159   28.909   7.2926   32.119   9.3653   23.964   11.623  108.593   15.960   91.651   23.391 16.94195 28.31736 
1 1 1  -25    8   28 o  256.672   8.4144  177.887   11.637  194.369   17.235  164.077   15.776  267.535   11.922  245.809   11.877 21.72574 16.82884 
1 1 1  -25    8   29 o  296.693   8.2497  239.439   13.206  226.126   18.774  252.477   18.580  288.467   12.044  304.920   11.277 -16.45309 16.49942 
1 1 1  -25    8   30 o  216.372   9.8261  127.082   11.275  129.932   17.825  125.180   14.558  218.223   15.116  214.520   12.558 3.703583 19.65229 
1 1 1  -25    8   31 o  201.875   9.5825  110.870   10.443  115.225   15.182  106.959   14.388  205.617   13.664  198.133   13.438 7.484161 19.16502 
1 1 1  -25    8   32 o  244.544   7.3513  162.384   9.3196  162.143   11.639  162.815   15.558  244.483   8.8098  244.605   11.771 -0.1220245 14.70265 
1 1 1  -25    8   33 o  464.932   6.6688  587.138   16.753  586.264   23.844  587.991   23.543  464.573   9.4981  465.292   9.3638 -0.7189331 13.33767 
1 1 1  -25    8   34 o  173.441   7.0501   81.804   6.5895   81.661   9.6768   81.928   8.9982  173.258   10.336  173.624   9.5909 -0.3651581 14.10023 
1 1 1  -25    8   35 o  374.691   6.0635  380.891   12.259  385.585   17.869  376.718   16.849  376.828   8.7757  372.554   8.3696 4.273956 12.12693 
1 1 1  -25    8   36 o   69.025   13.903   13.433   5.5169   10.275   7.6794   16.802   7.9309   61.670   20.085   76.379   19.229 -14.70873 27.80571 
1 1 1  -25    8   37 o  177.113   6.8300   85.462   6.5112   84.812   9.6219   86.012   8.8438  176.428   10.093  177.797   9.2050 -1.369507 13.65993 
1 1 1  -25    8   38 f  439.442   6.5086  525.671   15.435  529.004   22.435  522.675   21.269  440.683   9.4214  438.202   8.9823 2.481750 13.01713 
1 1 1  -25    8   39 o  316.453   5.7946  272.112   9.8978  277.108   14.392  267.628   13.634  319.169   8.3446  313.737   8.0422 5.431580 11.58921 
1 1 1  -25    8   40 o   70.810   13.272   14.735   5.5050   7.4694   8.1015   20.968   7.5033   56.174   20.510   85.446   16.850 -29.27197 26.54404 
1 1 1  -25    8   41 o  133.831   8.1127   49.551   5.8065   45.715   8.6425   52.708   7.8393  128.895   12.408  138.767   10.454 -9.872131 16.22539 
1 1 1  -25    8   42 o  307.994   5.7739  258.688   9.6041  248.829   13.585  268.540   13.580  302.072   8.3224  313.917   8.0056 -11.84415 11.54778 
1 1 1  -25    8   43 o  198.865   6.2982  107.611   6.7376  112.621   10.103  103.599   9.0418  202.938   9.2130  194.792   8.5901 8.145706 12.59640 
1 1 1  -25    8   44 o  218.606   6.1007  130.917   7.1795  126.522   10.514  134.757   9.8276  215.036   9.0481  222.177   8.1858 -7.140732 12.20145 
1 1 1  -25    8   45 o  134.217   8.1537   49.221   5.8735   57.813   8.8346   42.415   7.8629  144.650   11.303  123.785   11.755 20.86462 16.30748 
1 1 1  -25    8   46 o  361.789   6.0378  358.712   11.795  351.917   16.910  365.151   16.460  358.337   8.7328  365.240   8.3401 -6.902740 12.07552 
1 1 1  -25    8   47 o   41.959   12.801   0.0772   5.3140  -1.5061   7.7958   1.4513   7.2628   40.656   17.985   43.262   18.222 -2.606041 25.60268 
1 1 1  -25    8   48 o  178.702   6.9536   87.706   6.6843   92.577   10.036   83.822   8.9611  183.017   10.148  174.386   9.5096 8.630524 13.90730 
1 1 1  -25    8   49 o  113.758   9.5468   36.208   5.8393   41.611   8.6540   31.691   7.9119  121.605   13.170  105.911   13.825 15.69389 19.09353 
1 1 1  -25    8   50 o  142.620   8.1115   56.856   6.2117   56.887   9.3155   56.831   8.3353  142.383   12.108  142.856   10.798 -0.4732971 16.22305 
1 1 1  -25    8   51 o  121.397   9.1863   41.915   5.9926   39.504   8.7727   44.024   8.2053  117.757   13.787  125.037   12.144 -7.280258 18.37254 
1 1 1  -25    8   52 o  177.099   7.3688   86.859   7.0127  100.744   10.367   75.145   9.5217  190.231   10.085  163.967   10.747 26.26384 14.73765 
1 1 1  -25    8   53 o  132.383   9.1852   48.795   6.4266   65.213   9.8144   36.471   8.5031  151.984   11.950  112.783   13.952 39.20064 18.37048 
1 1 1  -25    8   54 f   48.886   13.848   3.9442   5.7069   8.9954   8.5925  -0.0429   7.6338   56.674   21.048   41.097   18.002 15.57678 27.69687 
1 1 1  -25    8   55 o  177.180   7.4921   88.462   7.1253   89.385   10.726   87.732   9.5325  177.583   11.178  176.775   9.9792 0.8079529 14.98411 
1 1 1  -25    8   56 o  161.843   9.9597   74.935   8.2270   83.604   14.456   70.782   10.005  166.610   16.057  157.075   11.788 9.535492 19.91943 
1 1 1  -25    8   57 o  151.381   19.306   71.329   15.793   71.329   15.793   0.0000   0.0000  151.381   19.306  ?   ?       ?      ? 
1 1 1  -25    8   59 o   59.099   17.307   12.059   9.0722   10.300   13.430   13.536   12.304   57.379   24.497   60.820   24.454 -3.441032 34.61322 
1 1 1  -25    8   60 o   47.495   14.310   4.1745   6.4316   7.2098   9.7590   1.8439   8.5515   51.704   21.399   43.287   19.005 8.417351 28.62043 
1 1 1  -25    9    1 o  336.160   8.7629  305.716   15.848  308.559   23.589  303.378   21.396  337.551   12.933  334.769   11.828 2.782501 17.52577 
1 1 1  -25    9    2 o  245.099   9.4557  164.503   12.287  152.477   18.925  173.266   16.155  237.204   14.765  252.994   11.817 -15.78952 18.91138 
1 1 1  -25    9    3 o  396.891   6.1081  425.468   13.088  401.766   18.172  451.018   18.867  385.416   8.7253  408.366   8.5500 -22.94968 12.21614 
1 1 1  -25    9    4 o   69.197   13.965   13.171   5.4622   14.907   8.1954   11.784   7.3267   72.973   20.130   65.422   19.362 7.550598 27.92997 
1 1 1  -25    9    5 o  555.293   7.4410  834.485   22.324  826.694   31.749  842.104   31.397  552.721   10.630  557.865   10.415 -5.144897 14.88209 
1 1 1  -25    9    6 o  123.925   8.6738   41.145   5.7748   45.774   8.7597   37.586   7.6801  130.023   12.468  117.829   12.062 12.19386 17.34754 
1 1 1  -25    9    7 o   63.868   13.646   11.262   5.3732   5.6076   8.3948   15.187   6.9934   54.378   20.673   73.358   17.819 -18.97990 27.29290 
1 1 1  -25    9    8 o  240.700   6.0500  157.831   7.8117  140.910   11.302  173.309   10.809  228.240   9.1637  253.160   7.9017 -24.92015 12.10000 
1 1 1  -25    9    9 o  384.748   6.1122  400.531   12.690  396.978   18.390  403.761   17.533  383.107   8.8835  386.388   8.3975 -3.281555 12.22431 
1 1 1  -25    9   10 f  367.463   7.6175  374.982   14.051  338.739   24.353  393.071   17.204  353.686   12.742  381.240   8.3512 -27.55328 15.23491 
1 1 1  -25    9   11 o  240.885   6.1178  156.121   7.9226  164.701   11.937  149.367   10.592  246.760   8.9525  235.010   8.3404 11.74992 12.23556 
1 1 1  -25    9   12 o  572.868   9.3846  881.811   27.256  868.663   33.109  909.459   48.011  566.539   10.815  579.196   15.340 -12.65680 18.76925 
1 1 1  -25    9   13 o  335.023   5.9512  303.267   10.751  308.269   15.780  298.935   14.687  337.588   8.6506  332.459   8.1752 5.129700 11.90236 
1 1 1  -25    9   14 o  392.427   6.1451  416.807   13.023  409.473   18.653  423.782   18.189  389.047   8.8726  395.807   8.5045 -6.760284 12.29018 
1 1 1  -25    9   15 o  120.237   9.5238   39.595   6.1201   35.373   9.0249   43.189   8.3274  114.207   14.624  126.267   12.205 -12.06001 19.04764 
1 1 1  -25    9   16 o  298.520   5.9414  240.989   9.5764  243.253   13.850  238.915   13.255  299.856   8.5479  297.184   8.2544 2.672852 11.88282 
1 1 1  -25    9   17 o  109.949   10.740   32.950   6.0380   44.943   9.0375   23.280   8.1148  128.778   12.987   91.119   17.109 37.65859 21.48004 
1 1 1  -25    9   18 f  245.537   6.0735  163.500   8.0364  150.998   11.439  175.685   11.293  236.232   8.9612  254.842   8.2004 -18.61067 12.14698 
1 1 1  -25    9   19 o   82.153   13.429   19.076   5.8205   19.203   8.6789   18.972   7.8467   82.362   19.755   81.945   18.195 0.4169922 26.85702 
1 1 1  -25    9   20 o  174.230   7.0728   81.791   6.6323   86.538   9.9267   77.963   8.9139  178.763   10.276  169.697   9.7209 9.066406 14.14563 
1 1 1  -25    9   21 o  192.700   6.7497  100.986   6.9973   92.300   10.052  109.151   9.7465  184.602   10.077  200.798   8.9825 -16.19585 13.49933 
1 1 1  -25    9   22 o   90.663   12.242   22.593   5.8275   30.171   8.6708   16.351   7.8700  105.355   15.231   75.971   19.171 29.38470 24.48439 
1 1 1  -25    9   23 o  415.793   6.3091  467.887   14.160  472.611   20.546  463.612   19.543  417.773   9.1013  413.813   8.7399 3.960754 12.61821 
1 1 1  -25    9   24 f  313.630   5.9608  265.578   10.075  275.607   14.904  257.138   13.672  319.052   8.6447  308.209   8.2094 10.84366 11.92164 
1 1 1  -25    9   25 o  299.069   5.9370  241.943   9.5866  228.437   13.357  256.290   13.767  290.461   8.5102  307.677   8.2806 -17.21579 11.87402 
1 1 1  -25    9   26 o  375.388   8.4938  382.375   17.224  388.063   24.743  377.027   23.990  378.081   12.111  372.695   11.912 5.385925 16.98755 
1 1 1  -25    9   27 o  442.502   9.2205  531.481   22.011  546.622   32.228  518.243   30.135  448.343   13.302  436.660   12.772 11.68311 18.44095 
1 1 1  -25    9   28 o  181.641   9.7917   89.175   9.5732   97.703   14.328   82.297   12.867  189.413   13.998  173.870   13.695 15.54391 19.58343 
1 1 1  -25    9   29 o  480.639   8.4911  623.895   20.359  638.964   36.881  617.291   24.417  484.220   14.095  477.058   9.4717 7.161896 16.98211 
1 1 1  -25    9   30 o  395.178   8.7958  424.893   18.752  426.802   27.341  423.198   25.766  395.937   12.779  394.420   12.089 1.517487 17.59156 
1 1 1  -25    9   31 o  505.294   10.032  695.567   27.313  715.766   40.426  678.604   37.047  511.868   14.616  498.719   13.747 13.14914 20.06487 
1 1 1  -25    9   32 o  500.962   7.0098  682.106   18.974  673.700   26.920  690.403   26.746  497.868   10.006  504.057   9.8195 -6.189453 14.01966 
1 1 1  -25    9   33 o  213.248   6.3479  122.392   7.2743  134.010   11.020  113.421   9.6837  222.111   9.1818  204.386   8.7680 17.72504 12.69584 
1 1 1  -25    9   34 o   64.825   13.917   11.686   5.4697   7.6909   8.0194   15.161   7.4793   56.922   20.461   72.727   18.870 -15.80513 27.83341 
1 1 1  -25    9   35 o  247.753   5.9246  166.487   7.9111  169.252   11.656  164.125   10.772  249.619   8.6412  245.888   8.1075 3.730942 11.84915 
1 1 1  -25    9   36 o   64.878   13.671   10.525   5.5972   19.084   8.4207   3.7507   7.4919   81.229   19.443   48.527   19.224 32.70212 27.34204 
1 1 1  -25    9   37 o   55.682   13.369   5.2185   5.4269   15.130   8.3612  -1.9965   7.1338   72.432   20.460   38.932   17.215 33.50049 26.73889 
1 1 1  -25    9   38 o  416.505   6.3792  472.440   14.349  471.253   20.641  473.551   19.960  415.940   9.1836  417.071   8.8565 -1.131134 12.75841 
1 1 1  -25    9   39 o  200.497   6.6288  108.755   7.1530  119.735   10.709   99.910   9.6115  209.548   9.4575  191.447   9.2909 18.10159 13.25761 
1 1 1  -25    9   40 o  226.385   6.1276  139.893   7.4831  134.408   10.758  145.033   10.415  222.010   8.9678  230.760   8.3527 -8.749329 12.25518 
1 1 1  -25    9   41 o  303.845   5.7750  251.226   9.4487  256.354   14.019  246.956   12.791  306.585   8.4619  301.106   7.8611 5.479309 11.54995 
1 1 1  -25    9   42 o  271.692   5.8530  201.681   8.5774  194.167   12.354  208.675   11.919  266.704   8.5720  276.679   7.9719 -9.975098 11.70596 
1 1 1  -25    9   43 o  112.342   9.6160   34.756   5.7327   36.598   9.0952   33.542   7.3841  114.535   14.696  110.149   12.406 4.385193 19.23194 
1 1 1  -25    9   44 o  159.986   7.3653   71.067   6.3045   61.492   9.0859   79.958   8.7551  149.252   11.266  170.720   9.4905 -21.46796 14.73051 
1 1 1  -25    9   45 o  107.781   9.9228   32.186   5.7092   39.912   8.5184   25.885   7.6927  119.627   13.178   95.936   14.839 23.69064 19.84569 
1 1 1  -25    9   46 o  169.374   7.1350   78.711   6.4980   82.818   9.7758   75.460   8.6975  173.191   10.446  165.557   9.7221 7.634766 14.26998 
1 1 1  -25    9   47 o  111.106   9.8971   35.218   5.8592   31.045   8.6657   38.732   7.9525  104.502   15.346  117.710   12.503 -13.20798 19.79418 
1 1 1  -25    9   48 o   37.487   12.034  -6.1814   5.7460 -15.5348   8.6326   1.2591   7.6994   31.091   15.229   43.884   18.637 -12.79307 24.06825 
1 1 1  -25    9   49 o  143.054   8.3763   57.027   6.4488   59.905   9.6455   54.701   8.6718  146.147   12.214  139.960   11.466 6.187500 16.75257 
1 1 1  -25    9   50 o  149.147   10.933   62.089   8.8115   0.0000   0.0000   62.089   8.8115  ?   ?   149.147   10.933      ?      ? 
1 1 1  -25    9   51 o   41.859   12.777  -2.6081   5.5795   5.9422   8.5754  -8.8846   7.3473   52.087   20.588   31.631   15.138 20.45606 25.55436 
1 1 1  -25    9   52 f   49.778   14.043   4.9287   5.6453   6.3238   8.6269   3.8839   7.4657   52.754   20.714   46.801   18.967 5.953026 28.08574 
1 1 1  -25    9   53 o  158.201   7.9954   69.889   6.8001   78.294   10.254   63.290   9.0854  166.557   11.393  149.845   11.220 16.71155 15.99072 
1 1 1  -25    9   54 f  215.367   6.6704  129.258   7.7539  130.902   11.267  127.780   10.687  216.526   9.6299  214.208   9.2328 2.318314 13.34089 
1 1 1  -25    9   55 o  142.985   8.9808   58.703   6.8745   62.807   10.588   55.712   9.0390  146.768   13.350  139.202   12.017 7.566162 17.96162 
1 1 1  -25    9   56 o   52.577   15.913  -0.5457   9.0962 -15.6487   13.172   13.221   12.576   40.255   19.514   64.899   25.142 -24.64337 31.82611 
1 1 1  -25    9   58 o   65.744   18.343   16.855   10.044   25.000   14.261   8.8378   14.149   75.335   27.257   56.153   24.555 19.18219 36.68645 
1 1 1  -25    9   59 o   47.742   14.578   3.7666   6.8292   3.7477   10.345   3.7812   9.0915   48.585   21.126   46.899   20.093 1.686207 29.15523 
1 1 1  -25    9   60 o   44.802   13.897   2.9736   6.5233  -0.0857   10.057   5.1958   8.5712   42.860   19.559   46.744   19.747 -3.884533 27.79393 
1 1 1  -25   10    1 o  274.964   9.3719  204.486   13.795  206.914   21.051  202.658   18.262  276.349   14.097  273.580   12.353 2.768433 18.74388 
1 1 1  -25   10    2 o  155.547   9.8009   63.374   7.7915   59.254   9.4430   72.162   13.791  147.947   11.812  163.147   15.643 -15.20082 19.60173 
1 1 1  -25   10    3 o  339.751   5.9023  312.676   10.818  295.984   15.432  328.805   15.170  330.810   8.6329  348.693   8.0511 -17.88297 11.80453 
1 1 1  -25   10    4 o  393.621   6.1773  419.379   13.129  404.019   18.677  434.383   18.459  386.480   8.9433  400.761   8.5238 -14.28049 12.35466 
1 1 1  -25   10    5 o  375.499   6.0948  381.744   12.354  364.761   17.578  398.319   17.366  367.227   8.8580  383.771   8.3740 -16.54355 12.18965 
1 1 1  -25   10    6 o  370.060   6.0422  369.927   12.048  376.281   17.785  364.538   16.379  372.981   8.8244  367.140   8.2561 5.840912 12.08444 
1 1 1  -25   10    7 o  283.262   6.0033  217.434   9.1525  211.878   13.462  222.210   12.481  279.876   8.9013  286.648   8.0576 -6.772064 12.00655 
1 1 1  -25   10    8 o  152.948   7.8514   64.229   6.3821   57.071   9.6037   69.891   8.5408  145.177   12.242  160.720   9.8342 -15.54309 15.70284 
1 1 1  -25   10    9 o  329.854   5.9432  294.581   10.576  288.601   15.315  300.033   14.622  326.639   8.6766  333.070   8.1242 -6.430664 11.88641 
1 1 1  -25   10   10 o  201.857   6.7487  110.643   7.2759  107.558   11.088  112.976   9.6425  199.353   10.293  204.361   8.7318 -5.008163 13.49745 
1 1 1  -25   10   11 o  285.744   7.7945  223.979   10.707  214.617   20.311  227.582   12.600  281.417   13.356  290.070   8.0388 -8.653198 15.58893 
1 1 1  -25   10   12 o  452.093   9.2147  553.046   22.511   0.0000   0.0000  553.046   22.511  ?   ?   452.093   9.2147      ?      ? 
1 1 1  -25   10   13 o  163.043   9.6068   71.815   8.0490   71.269   9.9315   72.860   13.740  162.226   11.329  163.861   15.518 -1.634933 19.21350 
1 1 1  -25   10   14 o   83.832   13.797   19.760   6.1212   21.701   9.0599   18.131   8.3029   87.606   19.625   80.059   19.397 7.546898 27.59319 
1 1 1  -25   10   15 o  281.986   5.9675  215.453   9.0659  210.310   13.255  219.973   12.427  278.803   8.7981  285.168   8.0647 -6.365021 11.93504 
1 1 1  -25   10   16 o  287.012   5.9734  223.119   9.2283  219.777   13.610  225.962   12.555  285.003   8.8373  289.021   8.0392 -4.018372 11.94682 
1 1 1  -25   10   17 o  607.810   7.9894  1000.39   26.237  981.250   36.768  1020.24   37.451  601.888   11.305  613.732   11.293 -11.84412 15.97878 
1 1 1  -25   10   18 o  366.129   6.0476  362.877   11.950  360.254   17.297  365.273   16.530  364.848   8.7735  367.411   8.3260 -2.562958 12.09528 
1 1 1  -25   10   19 o  240.402   6.0647  156.963   7.8511  145.547   11.279  167.693   10.935  231.872   9.0021  248.933   8.1293 -17.06068 12.12944 
1 1 1  -25   10   20 o  495.264   6.9461  664.096   18.585  643.410   26.010  685.669   26.563  487.382   9.8762  503.147   9.7701 -15.76459 13.89224 
1 1 1  -25   10   21 o  156.810   7.7686   66.610   6.5710   67.298   9.6048   66.004   9.0094  157.557   11.281  156.063   10.683 1.493958 15.53722 
1 1 1  -25   10   22 o   66.464   14.965   11.702   6.0451   13.598   9.0049   10.146   8.1561   70.444   21.602   62.485   20.716 7.958210 29.93024 
1 1 1  -25   10   23 o  230.861   6.2214  144.290   7.7405  144.737   11.377  143.906   10.562  231.175   9.1076  230.547   8.4779 0.6277466 12.44273 
1 1 1  -25   10   24 o  417.092   7.7819  466.033   16.588  454.512   20.267  489.414   28.873  409.619   9.1565  424.566   12.585 -14.94720 15.56374 
1 1 1  -25   10   25 o  142.294   11.301   53.917   8.5030   72.455   13.052   40.248   11.208  163.145   14.805  121.444   17.079 41.70166 22.60255 
1 1 1  -25   10   26 o  425.480   9.0211  492.003   20.737  479.955   29.060  504.504   29.601  420.165   12.799  430.794   12.716 -10.62900 18.04226 
1 1 1  -25   10   27 o  167.462   10.498   76.791   9.4480   72.568   13.867   80.450   12.907  163.051   15.739  171.872   13.898 -8.820160 20.99681 
1 1 1  -25   10   28 o  446.757   6.6333  540.504   15.972  552.804   23.563  530.050   21.723  451.399   9.6602  442.115   9.0930 9.283905 13.26657 
1 1 1  -25   10   29 o  342.332   8.6827  319.145   15.954  316.892   23.939  320.946   21.400  341.098   12.988  343.565   11.527 -2.467377 17.36538 
1 1 1  -25   10   30 o  428.765   9.2207  501.585   21.340  491.216   30.715  511.261   29.670  424.372   13.394  433.158   12.676 -8.785553 18.44143 
1 1 1  -25   10   31 o  269.324   6.0967  195.871   8.8432  208.751   13.179  185.323   11.927  277.313   8.7951  261.336   8.4455 15.97723 12.19345 
1 1 1  -25   10   32 f  446.723   6.6376  542.383   16.018  531.740   22.764  552.822   22.543  442.344   9.5236  451.102   9.2482 -8.757874 13.27511 
1 1 1  -25   10   33 o   70.944   14.542   14.292   5.8789   13.926   8.8389   14.582   7.8728   70.436   21.363   71.453   19.737 -1.016724 29.08469 
1 1 1  -25   10   34 o  505.600   7.0860  695.737   19.355  692.583   27.644  698.770   27.108  504.432   10.142  506.768   9.8991 -2.336334 14.17193 
1 1 1  -25   10   35 o  321.485   5.9301  280.311   10.269  287.345   15.218  274.430   13.914  325.119   8.6623  317.850   8.1012 7.268768 11.86023 
1 1 1  -25   10   36 o   50.424   13.909   3.3306   5.7021   8.6212   8.4471  -1.0983   7.7287   59.039   21.023   41.809   18.219 17.23013 27.81861 
1 1 1  -25   10   37 o  180.890   6.8334   88.843   6.6503   92.925   9.9634   85.563   8.9309  184.567   9.9900  177.214   9.3263 7.352905 13.66675 
1 1 1  -25   10   38 o  132.602   8.6320   47.781   6.1011   50.925   9.5622   45.622   7.9235  136.113   13.001  129.091   11.359 7.021484 17.26394 
1 1 1  -25   10   39 o   94.348   11.399   24.983   5.6177   26.001   8.6765   24.249   7.3713   95.085   17.533   93.611   14.572 1.473289 22.79801 
1 1 1  -25   10   40 o  244.132   5.9890  163.226   7.8598  154.018   11.510  171.270   10.759  237.517   8.9679  250.747   7.9404 -13.23022 11.97802 
1 1 1  -25   10   41 o  208.250   6.6264  120.236   7.3499  104.471   10.852  133.596   9.9903  195.206   10.288  221.293   8.3545 -26.08746 13.25281 
1 1 1  -25   10   42 o  270.424   5.9355  198.768   8.6079  206.638   13.103  192.793   11.417  274.967   8.8189  265.881   7.9465 9.085541 11.87094 
1 1 1  -25   10   43 o  108.697   10.236   33.699   5.8316   29.760   9.0980   36.446   7.5976  102.677   16.398  114.717   12.256 -12.03998 20.47209 
1 1 1  -25   10   44 o  142.292   8.3107   56.845   6.2991   48.868   9.2350   63.785   8.6141  132.469   12.901  152.116   10.480 -19.64742 16.62131 
1 1 1  -25   10   45 o   63.401   13.841   11.591   5.5691   5.7518   8.1654   16.670   7.6152   52.201   20.249   74.600   18.876 -22.39853 27.68218 
1 1 1  -25   10   46 o   42.489   13.164  -1.5827   5.7749   2.4628   8.8904  -4.5354   7.5954   48.323   20.247   36.656   16.828 11.66692 26.32703 
1 1 1  -25   10   47 f  258.475   6.1946  183.126   8.5923  187.988   13.005  179.359   11.446  261.278   9.2113  255.672   8.2851 5.605545 12.38915 
1 1 1  -25   10   48 o  171.873   7.2368   81.967   6.6782   81.170   9.9926   82.611   8.9776  170.859   10.823  172.887   9.6097 -2.028442 14.47369 
1 1 1  -25   10   49 f  151.165   8.1239   64.066   6.6205   61.282   9.5469   66.645   9.1889  147.779   11.955  154.551   11.003 -6.770981 16.24780 
1 1 1  -25   10   50 o  110.477   10.529   34.278   6.2078   42.303   9.6462   28.604   8.1106  121.330   14.713   99.624   15.066 21.70591 21.05836 
1 1 1  -25   10   51 o  100.888   11.796   29.740   6.2115   36.900   9.2965   23.966   8.3485  113.042   15.219   88.735   18.026 24.30715 23.59158 
1 1 1  -25   10   52 o   52.576   14.114   6.7159   5.7513   2.4303   8.6217   10.152   7.7200   46.673   19.766   58.480   20.152 -11.80708 28.22765 
1 1 1  -25   10   53 o   49.994   14.300   5.0879   5.9851   3.8400   9.1056   6.0371   7.9418   49.260   20.552   50.728   19.888 -1.468372 28.59955 
1 1 1  -25   10   54 o  173.728   7.8358   86.053   7.3116   81.549   10.753   89.928   9.9719  168.934   11.779  178.522   10.337 -9.588043 15.67157 
1 1 1  -25   10   55 o   60.302   16.078   11.253   7.6025  -0.5912   14.886   15.432   8.8426   52.576   23.917   68.027   21.494 -15.45041 32.15600 
1 1 1  -25   10   57 o  207.171   16.994  134.257   19.024  134.257   19.024   0.0000   0.0000  207.171   16.994  ?   ?       ?      ? 
1 1 1  -25   10   58 o   48.073   15.311  -0.2388   8.1354   9.4752   13.427  -5.8734   10.226   57.028   24.425   39.118   18.470 17.91078 30.62187 
1 1 1  -25   10   59 o  136.443   10.286   56.673   7.4468   71.407   10.988   44.157   10.127  154.190   13.188  118.697   15.789 35.49368 20.57233 
1 1 1  -25   11    1 o  384.987   12.694  401.577   26.408   0.0000   0.0000  401.577   26.408  ?   ?   384.987   12.694      ?      ? 
1 1 1  -25   11    2 o  694.078   8.9070  1303.17   33.379  1255.10   46.083  1356.22   48.413  680.645   12.529  707.511   12.663 -26.86627 17.81394 
1 1 1  -25   11    3 o  444.327   6.5577  534.159   15.739  514.421   22.130  554.361   22.388  436.013   9.3930  452.640   9.1534 -16.62701 13.11536 
1 1 1  -25   11    4 o  379.025   6.1588  388.711   12.606  371.234   17.756  406.472   17.900  370.424   8.8709  387.625   8.5459 -17.20099 12.31766 
1 1 1  -25   11    5 o  529.287   7.2658  758.171   20.765  761.468   29.994  755.136   28.776  530.374   10.465  528.201   10.082 2.173340 14.53170 
1 1 1  -25   11    6 o  417.554   6.3898  471.692   14.398  472.755   20.922  470.737   19.844  417.985   9.2632  417.123   8.8039 0.8625183 12.77951 
1 1 1  -25   11    7 o  281.544   6.0371  215.106   9.1422  206.553   13.435  222.481   12.476  276.295   8.9988  286.792   8.0504 -10.49655 12.07425 
1 1 1  -25   11    8 o  221.256   6.4384  132.549   7.6638  131.535   11.362  133.396   10.381  220.463   9.5374  222.049   8.6516 -1.585876 12.87680 
1 1 1  -25   11    9 o  568.287   7.6487  870.918   23.438  819.790   31.913  930.792   34.535  550.261   10.733  586.313   10.900 -36.05194 15.29737 
1 1 1  -25   11   10 o  253.594   9.3426  174.030   12.803  174.030   12.803   0.0000   0.0000  253.594   9.3426  ?   ?       ?      ? 
1 1 1  -25   11   11 o  292.248   6.0392  231.795   9.5063  214.510   13.617  248.231   13.278  281.566   8.9496  302.929   8.1114 -21.36319 12.07846 
1 1 1  -25   11   12 o  370.964   7.9497  365.601   14.156  388.063   27.609  357.591   16.488  378.359   13.504  363.569   8.3923 14.79034 15.89942 
1 1 1  -25   11   13 o  320.546   6.0918  278.401   10.521  252.797   14.824  304.388   14.934  305.655   8.9752  335.436   8.2393 -29.78134 12.18359 
1 1 1  -25   11   14 o  467.212   8.3614  580.822   19.712  562.783   23.754  620.721   35.327  455.982   9.6404  478.441   13.664 -22.45917 16.72274 
1 1 1  -25   11   15 o  288.700   6.0775  225.802   9.4672  219.717   13.650  231.443   13.142  284.933   8.8655  292.467   8.3154 -7.533722 12.15497 
1 1 1  -25   11   16 o  146.912   8.2113   57.864   6.4827   65.169   9.8005   52.182   8.6438  155.063   11.696  138.761   11.528 16.30164 16.42250 
1 1 1  -25   11   17 o   85.848   13.268   20.516   5.9958   26.274   8.9822   15.888   8.0525   96.730   17.842   74.966   19.642 21.76445 26.53553 
1 1 1  -25   11   18 o  463.141   6.7062  580.994   16.777  577.139   24.014  584.670   23.448  461.623   9.6271  464.658   9.3387 -3.035065 13.41238 
1 1 1  -25   11   19 o  163.484   7.7589   73.271   6.7746   64.618   9.9631   80.713   9.2393  154.355   11.945  172.613   9.9056 -18.25752 15.51784 
1 1 1  -25   11   20 o  598.035   7.9162  969.664   25.580  967.371   36.386  971.904   35.968  597.321   11.273  598.748   11.117 -1.426575 15.83249 
1 1 1  -25   11   21 o  295.791   6.0322  236.932   9.5988  236.375   14.253  237.395   12.985  295.443   8.9280  296.139   8.1143 -0.6959839 12.06442 
1 1 1  -25   11   22 o  239.188   6.2272  154.111   7.9780  160.990   12.225  149.007   10.529  243.781   9.2801  234.594   8.3061 9.187485 12.45432 
1 1 1  -25   11   23 o  461.801   9.4348  579.488   23.530  583.108   33.909  576.126   32.678  463.150   13.549  460.453   13.133 2.696472 18.86967 
1 1 1  -25   11   24 o  346.247   8.4329  325.438   15.764  306.531   22.031  345.270   22.565  335.917   12.137  356.578   11.711 -20.66144 16.86587 
1 1 1  -25   11   25 o  186.133   9.6849   92.716   9.6321  114.820   14.632   75.811   12.796  205.432   13.181  166.834   14.194 38.59781 19.36988 
1 1 1  -25   11   26 o  251.300   7.4247  168.720   9.4154  178.986   16.840  164.051   11.356  256.573   12.147  246.026   8.5421 10.54633 14.84942 
1 1 1  -25   11   27 o  297.946   6.0014  240.572   9.6210  241.362   14.292  239.917   13.011  298.348   8.8649  297.543   8.0921 0.8051453 12.00286 
1 1 1  -25   11   28 o  372.666   8.8928  378.911   17.872  361.036   25.672  395.721   24.896  364.009   13.052  381.323   12.082 -17.31363 17.78562 
1 1 1  -25   11   29 o  223.186   9.5293  136.207   11.262  134.595   17.734  137.297   14.579  221.848   14.793  224.525   12.016 -2.676422 19.05856 
1 1 1  -25   11   30 o  198.546   8.0812  106.800   8.5348  104.216   11.071  110.586   13.400  195.731   10.467  201.362   12.315 -5.630646 16.16239 
1 1 1  -25   11   31 o  168.642   7.4020   76.072   6.6865   88.338   10.303   67.148   8.7885  180.174   10.583  157.110   10.352 23.06430 14.80396 
1 1 1  -25   11   32 o  136.400   8.4861   50.069   6.1944   55.561   9.6029   46.155   8.1064  142.671   12.456  130.129   11.528 12.54138 16.97222 
1 1 1  -25   11   33 o  110.768   10.286   34.074   6.0267   31.430   9.3220   35.973   7.8997  106.834   16.148  114.702   12.745 -7.868484 20.57170 
1 1 1  -25   11   34 o  276.007   5.9249  207.322   8.7963  203.832   13.017  210.255   11.933  273.784   8.7988  278.230   7.9371 -4.446625 11.84975 
1 1 1  -25   11   35 o  131.947   8.6587   47.723   6.0918   47.466   9.3937   47.909   8.0027  131.492   13.220  132.402   11.185 -0.9105835 17.31748 
1 1 1  -25   11   36 o  122.200   9.1792   40.853   5.9424   41.782   9.4216   40.239   7.6576  123.164   14.156  121.237   11.689 1.927032 18.35843 
1 1 1  -25   11   37 o  170.459   7.2585   80.978   6.5150   70.650   10.019   88.544   8.5754  160.607   11.545  180.312   8.8012 -19.70525 14.51705 
1 1 1  -25   11   38 o  172.656   6.8805   81.921   6.3713   76.145   9.3904   86.848   8.6729  166.847   10.415  178.465   8.9934 -11.61871 13.76094 
1 1 1  -25   11   39 o  139.106   8.0602   51.945   5.9883   62.488   9.3442   44.598   7.8007  150.794   11.468  127.418   11.330 23.37633 16.12038 
1 1 1  -25   11   40 o  212.292   6.3469  122.533   7.2015  127.089   11.116  119.237   9.4536  215.522   9.5447  209.061   8.3683 6.461090 12.69371 
1 1 1  -25   11   41 o  129.914   8.8626   46.675   6.1441   46.562   9.4502   46.757   8.0864  129.542   13.500  130.285   11.486 -0.7429199 17.72528 
1 1 1  -25   11   42 o  147.279   8.2235   61.326   6.3797   50.632   9.5628   69.903   8.5642  134.999   13.109  159.559   9.9329 -24.56067 16.44706 
1 1 1  -25   11   43 o   84.462   12.757   21.402   5.6583   17.617   8.8358   24.034   7.3672   76.435   20.826   92.489   14.741 -16.05393 25.51479 
1 1 1  -25   11   44 o   46.307   13.492   2.2045   5.4324   5.0664   8.3901   0.1387   7.1284   51.487   20.360   41.126   17.709 10.36144 26.98414 
1 1 1  -25   11   45 o  153.012   7.6611   64.533   6.3025   68.061   9.4900   61.749   8.4300  156.599   11.215  149.425   10.440 7.173523 15.32225 
1 1 1  -25   11   46 o   47.280   13.718   3.0838   5.5514   4.1908   8.5321   2.2711   7.3104   50.046   20.278   44.513   18.480 5.532143 27.43578 
1 1 1  -25   11   47 o  185.955   7.0241   95.130   6.9741   99.171   10.814   92.254   9.1252  189.018   10.588  182.891   9.2334 6.127075 14.04828 
1 1 1  -25   11   48 o  108.931   11.178   35.141   6.2397   30.971   9.5840   38.208   8.2205  101.558   18.129  116.304   13.080 -14.74574 22.35526 
1 1 1  -25   11   49 f   75.912   13.008   18.876   6.0203   5.9434   9.4414   27.738   7.8153   53.527   21.456   98.297   14.714 -44.77046 26.01651 
1 1 1  -25   11   50 o  156.895   8.0827   69.446   6.7785   66.396   10.223   71.838   9.0552  153.319   12.340  160.471   10.443 -7.152084 16.16532 
1 1 1  -25   11   51 o  182.305   7.3951   93.613   7.1839   87.763   10.892   98.117   9.5575  176.646   11.411  187.963   9.4099 -11.31665 14.79013 
1 1 1  -25   11   52 f   47.668   14.100   2.8236   6.3035  -2.4336   9.7852   6.5528   8.2413   43.305   19.576   52.031   20.298 -8.726902 28.19970 
1 1 1  -25   11   53 o  153.581   8.8638   69.443   7.1125   56.540   10.789   79.360   9.4587  139.255   14.338  167.909   10.425 -28.65408 17.72766 
1 1 1  -25   11   54 o   34.966   11.842 -10.6028   6.5548 -17.9769   10.008  -5.0629   8.6744   32.305   15.936   37.627   17.521 -5.322697 23.68436 
1 1 1  -25   11   57 o  104.980   16.990   41.781   10.078   62.410   15.215   25.653   13.453  133.125   21.151   76.836   26.595 56.28870 33.98013 
1 1 1  -25   11   58 o   49.505   14.783   5.2014   6.8912   1.8714   10.514   7.7093   9.1243   46.726   20.768   52.284   21.045 -5.557671 29.56700 
1 1 1  -25   11   59 o   42.924   13.620  -1.5232   6.7741   8.3439   10.334  -8.9569   8.9700   52.130   21.835   33.718   16.286 18.41229 27.23951 
1 1 1  -25   12    1 o  238.958   6.2048  154.137   7.9720  157.941   11.946  151.083   10.704  241.595   9.1505  236.321   8.3824 5.273972 12.40951 
1 1 1  -25   12    2 o  130.062   8.6685   45.919   6.0494   45.043   9.0641   46.622   8.1234  128.920   13.011  131.204   11.458 -2.284210 17.33701 
1 1 1  -25   12    3 f  117.506   9.5936   37.616   6.0217   36.116   9.1369   38.768   8.0066  115.392   14.653  119.620   12.387 -4.228394 19.18728 
1 1 1  -25   12    4 o  131.621   8.7882   46.362   6.2065   54.700   9.3399   39.768   8.3054  142.097   12.164  121.145   12.687 20.95139 17.57633 
1 1 1  -25   12    6 o   95.223   12.325   25.042   6.1336   25.234   9.4188   24.901   8.0823   94.658   19.073   95.788   15.615 -1.129951 24.64976 
1 1 1  -25   12    7 o  218.970   6.5943  131.359   7.7011  110.341   11.119  150.735   10.676  201.893   10.192  236.046   8.3701 -34.15277 13.18868 
1 1 1  -25   12    8 o  269.497   6.2850  197.253   9.1045  188.204   13.399  205.015   12.410  263.710   9.4025  275.284   8.3424 -11.57446 12.56991 
1 1 1  -25   12    9 o  345.356   6.1492  323.252   11.456  308.004   16.403  337.772   16.007  337.374   8.9978  353.337   8.3839 -15.96365 12.29836 
1 1 1  -25   12   10 f  422.564   6.5314  483.541   14.903  474.476   21.368  492.125   20.794  418.690   9.4447  426.439   9.0241 -7.748901 13.06280 
1 1 1  -25   12   11 o  259.481   6.2812  183.091   8.7457  158.429   12.380  207.660   12.357  241.924   9.4700  277.037   8.2543 -35.11223 12.56243 
1 1 1  -25   12   12 o  248.181   6.5989  167.505   8.7593  160.987   13.229  172.593   11.688  243.824   10.041  252.538   8.5651 -8.713745 13.19780 
1 1 1  -25   12   13 o  444.097   8.4233  540.195   18.627  520.270   33.344  549.234   22.458  437.783   14.095  450.411   9.2272 -12.62799 16.84668 
1 1 1  -25   12   14 o  314.737   7.4769  264.510   12.183  255.363   15.071  281.757   20.694  307.115   9.0815  322.359   11.880 -15.24435 14.95371 
1 1 1  -25   12   15 o  549.857   9.2166  817.175   25.883  810.418   31.724  830.631   44.765  546.859   10.735  552.854   14.984 -5.994934 18.43315 
1 1 1  -25   12   16 o   59.263   12.631   2.3585   6.0745   21.099   9.0719 -12.8728   8.1786   86.223   19.878   32.302   15.590 53.92092 25.26212 
1 1 1  -25   12   17 o  394.335   6.3357  421.332   13.491  409.398   19.244  432.866   18.919  388.821   9.1594  399.849   8.7561 -11.02780 12.67138 
1 1 1  -25   12   18 o  531.461   7.3608  765.596   21.135  756.045   30.068  774.923   29.714  528.165   10.535  534.758   10.283 -6.592468 14.72163 
1 1 1  -25   12   19 o  163.448   7.8278   71.558   6.8370   78.182   10.652   66.917   8.9158  169.773   11.611  157.123   10.501 12.65009 15.65561 
1 1 1  -25   12   20 o  270.555   6.2023  197.057   9.0243  209.980   13.585  186.850   12.073  278.427   9.0294  262.682   8.5054 15.74448 12.40452 
1 1 1  -25   12   21 o   93.833   14.531   23.282   7.5703   11.412   9.9303   39.752   11.698   67.019   22.863  120.647   17.943 -53.62767 29.06299 
1 1 1  -25   12   22 o  339.577   8.4035  313.140   15.405  313.964   22.298  312.387   21.308  339.966   12.138  339.187   11.625 0.7789917 16.80696 
1 1 1  -25   12   23 o   58.504   16.311   4.5248   7.9123  -1.6525   11.581   9.9324   10.835   51.450   22.362   65.558   23.753 -14.10801 32.62292 
1 1 1  -25   12   24 o  221.518   9.0291  134.453   10.681  110.676   15.075  158.423   15.136  201.577   13.840  241.460   11.600 -39.88315 18.05820 
1 1 1  -25   12   25 o  470.692   6.8748  600.820   17.455  606.471   25.505  595.840   23.940  472.719   9.9846  468.666   9.4531 4.053040 13.74970 
1 1 1  -25   12   26 o  416.355   6.4885  470.051   14.560  473.298   21.411  467.258   19.859  417.634   9.4875  415.077   8.8538 2.557587 12.97701 
1 1 1  -25   12   27 o  210.839   10.321  121.246   11.491  122.478   18.344  120.450   14.741  211.472   16.053  210.206   12.977 1.265762 20.64260 
1 1 1  -25   12   28 o  216.124   9.5711  128.092   11.034  124.212   16.873  130.991   14.586  213.052   14.656  219.197   12.314 -6.145172 19.14224 
1 1 1  -25   12   29 o  204.120   8.1244  110.156   8.7440   99.259   11.011  128.761   14.387  190.977   10.670  217.264   12.255 -26.28726 16.24881 
1 1 1  -25   12   30 o  185.720   6.9203   92.466   6.8147  100.313   10.909   87.444   8.7272  192.005   10.514  179.435   9.0008 12.57002 13.84050 
1 1 1  -25   12   31 o  239.078   6.1450  153.740   7.8603  165.487   12.160  145.309   10.302  246.785   9.1186  231.371   8.2399 15.41399 12.29008 
1 1 1  -25   12   32 o  279.437   5.9844  211.342   8.9974  220.304   13.469  204.120   12.091  284.713   8.7544  274.161   8.1615 10.55197 11.96870 
1 1 1  -25   12   33 o  148.709   8.3095   60.305   6.6216   61.658   10.082   59.278   8.7810  150.068   12.433  147.350   11.028 2.717636 16.61901 
1 1 1  -25   12   34 o  184.574   6.9227   93.017   6.8631   91.450   10.235   94.298   9.2513  183.063   10.347  186.085   9.2004 -3.021988 13.84549 
1 1 1  -25   12   35 o  284.898   5.9681  220.312   9.1393  225.767   13.718  215.958   12.255  287.972   8.8155  281.824   8.0475 6.147308 11.93626 
1 1 1  -25   12   36 o  273.795   6.0071  203.966   8.8475  205.144   13.167  202.997   11.946  274.421   8.8795  273.170   8.0930 1.250580 12.01425 
1 1 1  -25   12   37 o   64.190   14.306   11.676   5.6341   8.7448   8.4966   13.976   7.5270   59.021   21.077   69.360   19.350 -10.33955 28.61220 
1 1 1  -25   12   38 o   98.915   10.778   26.886   5.7219   30.669   8.7172   24.023   7.5845  104.922   15.375   92.909   15.107 12.01294 21.55518 
1 1 1  -25   12   39 o  131.799   8.6784   48.699   5.9998   44.272   9.4504   51.688   7.7655  126.329   13.844  137.268   10.469 -10.93899 17.35675 
1 1 1  -25   12   40 o   73.158   13.923   16.345   5.6786   11.962   9.1991   19.043   7.2181   65.482   22.007   80.835   17.061 -15.35321 27.84533 
1 1 1  -25   12   41 o  164.156   7.3921   72.663   6.4716   83.213   10.205   65.567   8.3697  173.808   10.866  154.503   10.025 19.30522 14.78411 
1 1 1  -25   12   42 f   61.950   14.530   10.434   5.6203   13.724   8.8673   8.2243   7.2663   68.259   21.520   55.641   19.529 12.61741 29.06019 
1 1 1  -25   12   43 o  183.051   7.0725   92.239   6.9259   92.573   10.569   91.988   9.1686  183.097   10.683  183.005   9.2716 0.9193420E-01 14.14498 
1 1 1  -25   12   44 f   68.797   14.220   13.501   5.7670   19.939   8.8193   8.6912   7.6226   80.917   20.225   56.676   19.993 24.24068 28.43901 
1 1 1  -25   12   45 o   89.543   12.886   24.268   6.0006   20.558   9.3529   26.863   7.8230   81.757   21.046   97.328   14.875 -15.57032 25.77165 
1 1 1  -25   12   46 o   76.664   13.996   18.326   5.8814   14.968   8.9678   20.861   7.7911   69.955   21.575   83.373   17.833 -13.41733 27.99134 
1 1 1  -25   12   47 o  154.332   8.3142   66.259   6.9025   71.296   10.378   62.264   9.2433  159.421   12.047  149.243   11.462 10.17848 16.62836 
1 1 1  -25   12   48 o  146.793   11.202   60.304   8.8855   0.0000   0.0000   60.304   8.8855  ?   ?   146.793   11.202      ?      ? 
1 1 1  -25   12   49 o   43.461   13.331  -1.4198   5.9364   5.1419   9.1209  -6.2424   7.8193   51.709   20.961   35.214   16.476 16.49548 26.66121 
1 1 1  -25   12   50 o   58.523   13.758   9.1156   5.9928  -1.3613   9.1625   16.948   7.9224   43.418   19.337   73.629   19.575 -30.21117 27.51536 
1 1 1  -25   12   51 o   64.948   13.925   10.887   6.0085   23.324   9.3425   2.1134   7.8464   85.410   20.503   44.486   18.849 40.92384 27.85052 
1 1 1  -25   12   52 o   55.029   15.090   7.3370   6.3625   11.018   9.9615   4.8008   8.2690   60.994   22.661   49.064   19.934 11.92950 30.18082 
1 1 1  -25   12   53 o   68.266   15.770   15.178   6.5697   19.342   10.600   12.581   8.3713   74.380   23.538   62.153   20.993 12.22696 31.53902 
1 1 1  -25   12   54 o   51.349   16.039  -7.0291   10.346 -32.5901   15.667   12.741   13.778   37.757   18.846   64.940   25.959 -27.18259 32.07850 
1 1 1  -25   12   56 o   94.441   19.192   37.636   10.512   46.036   15.293   30.113   14.474  106.286   26.671   82.597   27.605 23.68934 38.38479 
1 1 1  -25   12   57 o   58.800   15.644   11.513   7.0828   6.0026   10.986   15.433   9.2653   51.925   22.162   65.676   22.086 -13.75180 31.28804 
1 1 1  -25   12   58 o   43.084   13.578  -0.2422   6.7803  -7.9010   9.7639   6.8910   9.4228   36.215   17.363   49.952   20.880 -13.73640 27.15587 
1 1 1  -25   13    1 o  195.367   9.1495  103.323   9.6591   0.0000   0.0000  103.323   9.6591  ?   ?   195.367   9.1495      ?      ? 
1 1 1  -25   13    2 o  507.920   7.1572  698.311   19.638  675.928   27.454  721.765   28.102  499.584   10.170  516.256   10.074 -16.67279 14.31434 
1 1 1  -25   13    3 o  476.497   6.9046  614.836   17.768  613.185   25.550  616.381   24.725  475.859   9.9362  477.135   9.5899 -1.275116 13.80919 
1 1 1  -25   13    4 o  361.953   8.4786  354.549   16.583   0.0000   0.0000  354.549   16.583  ?   ?   361.953   8.4786      ?      ? 
1 1 1  -25   13    5 o  361.714   6.2320  354.406   12.171  344.385   17.396  364.016   17.035  356.685   9.0255  366.742   8.5960 -10.05719 12.46397 
1 1 1  -25   13    6 o  341.865   6.1256  316.600   11.304  300.519   16.023  332.533   15.949  333.198   8.8991  350.531   8.4201 -17.33307 12.25116 
1 1 1  -25   13    7 o  376.798   6.3809  384.777   12.977  368.301   18.501  400.734   18.208  368.828   9.2831  384.768   8.7572 -15.94073 12.76185 
1 1 1  -25   13    8 o  246.284   6.2701  164.801   8.2935  158.086   12.284  170.426   11.243  241.627   9.4080  250.941   8.2912 -9.314392 12.54010 
1 1 1  -25   13    9 o   72.633   14.332   14.806   6.2459   7.0634   9.2229   21.366   8.4887   58.351   21.780   86.915   18.634 -28.56351 28.66339 
1 1 1  -25   13   10 o  363.132   6.2806  357.534   12.306  341.598   17.611  372.737   17.202  355.189   9.1756  371.075   8.5786 -15.88632 12.56125 
1 1 1  -25   13   11 o  438.350   6.6528  520.286   15.730  521.607   22.952  519.117   21.602  438.845   9.6789  437.855   9.1299 0.9898376 13.30551 
1 1 1  -25   13   12 o  310.967   6.2173  262.445   10.399  254.472   15.332  269.238   14.152  306.548   9.2556  315.386   8.3039 -8.838074 12.43469 
1 1 1  -25   13   13 o  309.980   8.2337  259.458   12.058  262.838   23.832  258.294   13.980  311.059   14.179  308.901   8.3752 2.158386 16.46738 
1 1 1  -25   13   14 o  209.583   9.6795  128.042   9.1490  103.221   18.177  136.465   10.588  194.661   17.280  224.505   8.7277 -29.84445 19.35905 
1 1 1  -25   13   15 o  246.395   7.8502  162.959   10.107  158.380   12.677  170.946   16.742  241.793   9.7027  250.997   12.344 -9.203415 15.70047 
1 1 1  -25   13   16 f  374.284   7.6928  378.767   14.872  376.295   18.464  383.333   25.095  372.737   9.1670  375.831   12.357 -3.093506 15.38568 
1 1 1  -25   13   17 o  103.881   12.421   29.542   6.5177   47.498   9.9689   16.136   8.6138  132.197   13.955   75.565   20.552 56.63146 24.84189 
1 1 1  -25   13   18 o  527.184   7.3502  753.695   20.932  746.851   29.901  760.272   29.312  524.810   10.544  529.558   10.243 -4.747986 14.70033 
1 1 1  -25   13   19 o  309.961   7.4386  261.247   12.216  263.998   15.839  257.207   19.192  312.103   9.3917  307.819   11.538 4.283081 14.87713 
1 1 1  -25   13   20 o  235.885   8.4800  150.116   10.734  159.662   16.349  142.883   14.232  242.378   12.483  229.392   11.481 12.98566 16.96005 
1 1 1  -25   13   21 o  354.641   8.5352  339.973   16.293  362.162   24.382  322.072   21.900  364.988   12.362  344.294   11.771 20.69464 17.07036 
1 1 1  -25   13   22 f  148.912   11.364   60.385   9.1288   63.896   13.398   57.342   12.472  152.926   16.213  144.899   15.929 8.027161 22.72858 
1 1 1  -25   13   23 o  266.939   6.4034  193.746   9.1275  189.804   13.949  196.698   12.070  264.478   9.7606  269.400   8.2914 -4.921143 12.80685 
1 1 1  -25   13   24 o  189.502   7.0843   96.996   7.2010  101.451   10.965   93.618   9.5488  193.264   10.499  185.740   9.5138 7.523621 14.16867 
1 1 1  -25   13   25 o  266.481   6.2170  192.522   8.8649  193.487   13.529  191.796   11.736  266.992   9.3770  265.970   8.1655 1.021881 12.43397 
1 1 1  -25   13   26 o  229.867   9.6547  145.851   11.744  135.969   18.214  152.883   15.365  222.851   15.125  236.883   12.003 -14.03267 19.30939 
1 1 1  -25   13   27 o  483.283   10.033  639.263   26.188  615.766   37.006  662.838   37.067  474.276   14.439  492.290   13.934 -18.01477 20.06617 
1 1 1  -25   13   28 o  320.022   7.4231  277.139   12.509  272.042   15.922  285.360   20.220  316.437   9.3115  323.606   11.563 -7.169434 14.84628 
1 1 1  -25   13   29 o  154.301   8.0940   63.261   6.6430   74.255   10.602   56.156   8.5235  165.008   11.891  143.594   10.985 21.41400 16.18807 
1 1 1  -25   13   30 f  149.448   7.8503   60.198   6.2769   65.655   9.7267   56.304   8.2168  155.124   11.604  143.771   10.576 11.35301 15.70057 
1 1 1  -25   13   31 o   67.330   14.136   11.186   5.8597   20.509   9.1770   4.7689   7.6140   84.088   20.404   50.572   19.571 33.51632 28.27238 
1 1 1  -25   13   32 o   92.009   12.936   24.214   6.1717   25.368   9.3116   23.310   8.2420   93.814   19.019   90.204   17.541 3.610596 25.87292 
1 1 1  -25   13   33 o  230.362   6.3970  144.644   7.8811  143.437   12.010  145.557   10.445  229.386   9.6891  231.338   8.3552 -1.952454 12.79404 
1 1 1  -25   13   34 o  160.325   7.6218   69.928   6.4866   72.006   10.239   68.535   8.3835  162.143   11.686  158.507   9.7879 3.636261 15.24363 
1 1 1  -25   13   35 o  134.334   8.5699   49.561   6.0995   49.352   9.6041   49.702   7.8966  133.888   13.275  134.780   10.842 -0.8917084 17.13989 
1 1 1  -25   13   36 o  345.542   6.0969  325.816   11.373  313.900   16.227  337.321   15.944  339.242   8.8520  351.841   8.3864 -12.59830 12.19388 
1 1 1  -25   13   37 o   79.930   13.984   18.647   5.9612   20.449   9.1279   17.307   7.8717   83.128   20.459   76.733   19.068 6.394760 27.96724 
1 1 1  -25   13   38 o   49.002   13.090   1.9381   5.7482  -9.8116   8.7063   11.018   7.6535   35.553   16.862   62.452   20.025 -26.89864 26.17917 
1 1 1  -25   13   39 o  248.495   6.1598  168.908   8.2244  167.165   12.266  170.332   11.086  247.172   9.1834  249.817   8.2121 -2.645264 12.31966 
1 1 1  -25   13   40 f  134.824   8.8696   51.172   6.3071   46.351   9.7688   54.619   8.2592  128.859   14.029  140.790   10.856 -11.93137 17.73929 
1 1 1  -25   13   41 o   88.677   12.890   24.669   6.0514   13.452   9.1023   33.553   8.1008   67.794   21.849  109.561   13.683 -41.76691 25.78008 
1 1 1  -25   13   42 o   94.822   12.284   25.368   6.0927   32.629   9.4809   20.259   7.9522  107.135   16.377   82.508   18.314 24.62737 24.56830 
1 1 1  -25   13   43 o   54.230   14.528   6.5473   5.8595   9.5732   8.8887   4.2219   7.7922   59.730   21.533   48.731   19.507 10.99816 29.05522 
1 1 1  -25   13   44 o  196.253   6.9184  105.817   7.1977  108.771   11.399  103.858   9.2821  198.140   10.647  194.365   8.8377 3.775391 13.83682 
1 1 1  -25   13   45 o   51.104   14.275   4.9058   5.7250   7.6443   9.1696   3.1564   7.3290   56.388   21.566   45.820   18.708 10.56828 28.54947 
1 1 1  -25   13   46 o  121.823   9.6087   40.891   6.1915   47.763   10.079   36.727   7.8464  129.464   14.408  114.182   12.717 15.28199 19.21736 
1 1 1  -25   13   47 o  121.563   10.049   41.624   6.4142   56.644   9.6590   29.776   8.5788  141.619   12.622  101.506   15.640 40.11337 20.09796 
1 1 1  -25   13   48 o   94.525   12.861   28.250   6.2543   19.577   9.4482   35.014   8.3441   78.389   21.609  110.661   13.954 -32.27141 25.72291 
1 1 1  -25   13   49 o   60.076   14.862   9.7119   5.9894   15.068   9.4133   6.0687   7.7636   69.173   22.212   50.978   19.752 18.19495 29.72388 
1 1 1  -25   13   50 f   64.721   14.495   13.085   6.1703   5.9274   9.2720   18.775   8.2666   52.551   21.193   76.891   19.782 -24.34056 28.99079 
1 1 1  -25   13   51 o  101.303   11.868   30.227   6.2965   36.621   9.7145   25.594   8.2684  111.267   16.157   91.340   17.387 19.92653 23.73550 
1 1 1  -25   13   52 o   53.851   14.071   4.8604   6.1511   16.820   9.4747  -3.8531   8.0872   70.344   22.252   37.358   17.229 32.98652 28.14209 
1 1 1  -25   13   53 o   42.515   14.479 -14.7172   9.6760  -7.5090   14.709 -20.2162   12.847   47.641   22.388   37.390   18.368 10.25111 28.95853 
1 1 1  -25   13   55 o  ?   ?  -52.3423   16.025 -52.3423   16.025   0.0000   0.0000  ?   ?   ?   ?       ?      ? 
1 1 1  -25   13   56 o   61.381   25.332   12.811   13.619   12.811   13.619   0.0000   0.0000   61.381   25.332  ?   ?       ?      ? 
1 1 1  -25   13   57 o  112.072   13.259   44.480   7.2800   28.982   11.045   56.384   9.6802   87.379   23.058  136.764   13.099 -49.38525 26.51836 
1 1 1  -25   14    1 o  258.331   6.3560  181.319   8.8393  171.196   12.834  190.454   12.192  251.419   9.4465  265.243   8.5064 -13.82404 12.71199 
1 1 1  -25   14    2 o  496.123   7.0985  666.949   19.025  649.984   26.925  683.867   26.887  489.802   10.173  502.443   9.9028 -12.64075 14.19692 
1 1 1  -25   14    3 o  324.864   8.5125  285.695   14.943   0.0000   0.0000  285.695   14.943  ?   ?   324.864   8.5125      ?      ? 
1 1 1  -25   14    4 f  163.473   7.9522   72.135   7.0063   76.752   10.377   68.267   9.4977  168.251   11.414  158.696   11.076 9.555923 15.90445 
1 1 1  -25   14    6 o  670.807   8.7306  1219.63   31.631  1183.64   43.902  1258.49   45.614  660.537   12.300  681.078   12.394 -20.54156 17.46122 
1 1 1  -25   14    7 o  296.586   8.5158  238.130   13.648   0.0000   0.0000  238.130   13.648  ?   ?   296.586   8.5158      ?      ? 
1 1 1  -25   14    8 o  302.052   6.2004  247.042   10.105  246.649   14.690  247.396   13.922  301.806   9.0077  302.298   8.5229 -0.4916687 12.40072 
1 1 1  -25   14    9 o  366.431   6.3093  363.628   12.469  334.329   17.469  394.056   17.803  351.357   9.2009  381.506   8.6356 -30.14914 12.61863 
1 1 1  -25   14   10 o  102.080   11.902   28.235   6.5379   29.894   9.7975   26.903   8.7781  104.746   17.310   99.413   16.341 5.333313 23.80427 
1 1 1  -25   14   11 o  370.731   6.3251  372.616   12.637  366.016   18.468  378.428   17.330  367.606   9.2971  373.856   8.5784 -6.250153 12.65012 
1 1 1  -25   14   12 o  171.191   7.7736   80.844   7.0561   70.137   10.600   89.364   9.4553  160.765   12.202  181.618   9.6345 -20.85265 15.54724 
1 1 1  -25   14   13 o  339.637   6.2664  312.886   11.474  304.464   16.676  320.456   15.810  335.258   9.2052  344.015   8.5051 -8.756805 12.53282 
1 1 1  -25   14   14 o  448.568   8.6633  529.705   18.559  581.757   36.762  511.901   21.500  462.439   14.712  434.698   9.1531 27.74176 17.32666 
1 1 1  -25   14   15 o  221.815   9.7248  141.742   9.6111  119.617   19.679  148.673   11.014  209.350   17.395  234.280   8.7001 -24.92990 19.44964 
1 1 1  -25   14   16 o  347.229   9.2551  326.753   17.365  326.753   17.365   0.0000   0.0000  347.229   9.2551  ?   ?       ?      ? 
1 1 1  -25   14   17 o  400.794   12.807  436.712   27.737  436.712   27.737   0.0000   0.0000  400.794   12.807  ?   ?       ?      ? 
1 1 1  -25   14   18 o  155.530   10.997   66.359   9.1828   61.757   13.466   70.360   12.555  150.359   16.574  160.701   14.458 -10.34203 21.99360 
1 1 1  -25   14   19 o  109.102   14.844   34.702   8.4246   21.995   12.157   46.441   11.685   87.849   24.621  130.354   16.589 -42.50464 29.68823 
1 1 1  -25   14   20 o  117.188   13.015   37.276   8.1913   41.149   12.456   34.324   10.873  122.458   18.823  111.919   17.979 10.53918 26.03007 
1 1 1  -25   14   21 o  290.407   6.3380  228.110   9.8217  232.470   15.200  224.984   12.869  292.703   9.6099  288.111   8.2662 4.592010 12.67598 
1 1 1  -25   14   22 o  239.772   6.6605  157.133   8.5307  147.624   12.852  164.620   11.405  233.151   10.201  246.393   8.5662 -13.24184 13.32100 
1 1 1  -25   14   23 o   86.377   14.018   20.928   6.3666   25.187   9.8112   17.830   8.3675   93.854   19.960   78.901   19.689 14.95328 28.03650 
1 1 1  -25   14   24 o  172.582   8.0467   81.227   7.3535   80.381   11.586   81.798   9.5159  171.695   12.488  173.470   10.152 -1.774918 16.09335 
1 1 1  -25   14   25 o  286.516   9.6214  226.642   14.617  211.531   22.537  237.613   19.203  277.829   15.012  295.202   12.038 -17.37296 19.24276 
1 1 1  -25   14   26 o  229.507   10.028  141.779   11.995  153.018   20.100  135.563   14.949  236.113   15.754  222.900   12.411 13.21230 20.05539 
1 1 1  -25   14   27 o  136.451   11.418   50.840   8.3409   48.878   10.983   53.514   12.820  133.487   15.227  139.414   17.017 -5.926758 22.83514 
1 1 1  -25   14   28 o  129.128   9.7297   47.508   6.4858   37.692   10.121   54.347   8.4483  117.046   16.003  141.210   11.072 -24.16379 19.45949 
1 1 1  -25   14   29 o  172.654   7.6951   83.108   7.0129   66.071   10.259   98.053   9.6084  155.464   12.212  189.845   9.3662 -34.38129 15.39019 
1 1 1  -25   14   30 o  152.855   8.1460   63.268   6.6662   68.084   10.283   59.776   8.7551  157.742   12.064  147.969   10.950 9.773407 16.29209 
1 1 1  -25   14   31 o  162.763   8.0014   72.433   6.9162   72.448   10.826   72.423   8.9898  162.598   12.322  162.928   10.211 -0.3302917 16.00280 
1 1 1  -25   14   32 o   59.255   12.971   7.4902   5.9289  -7.1607   9.1115   18.249   7.8081   39.166   18.141   79.343   18.545 -40.17662 25.94254 
1 1 1  -25   14   33 o  115.350   10.253   36.932   6.2179   35.815   9.9296   37.653   7.9752  113.607   16.175  117.093   12.604 -3.486252 20.50601 
1 1 1  -25   14   34 o  119.169   9.9765   40.360   6.2231   32.980   9.4643   45.981   8.2597  108.900   16.083  129.437   11.809 -20.53661 19.95300 
1 1 1  -25   14   35 o  195.209   6.8826  106.641   7.0665   90.685   10.793  118.611   9.3487  181.810   10.986  208.609   8.2934 -26.79953 13.76511 
1 1 1  -25   14   36 o   74.358   14.008   15.251   5.7932   22.825   9.2018   10.278   7.4563   87.985   19.829   60.731   19.792 27.25418 28.01609 
1 1 1  -25   14   37 o  178.301   7.1771   88.843   6.7604   77.023   10.263   97.903   8.9851  167.295   11.353  189.307   8.7835 -22.01231 14.35418 
1 1 1  -25   14   38 o  211.175   6.6207  122.668   7.4462  118.729   11.442  125.563   9.8074  207.962   10.182  214.388   8.4658 -6.426224 13.24136 
1 1 1  -25   14   39 o  102.506   11.542   29.732   6.2181   34.797   9.3127   25.658   8.3528  111.183   15.501   93.828   17.105 17.35573 23.08335 
1 1 1  -25   14   40 o   97.900   12.118   27.493   6.2054   28.951   9.5636   26.433   8.1552   99.054   18.549   96.746   15.600 2.307854 24.23676 
1 1 1  -25   14   41 o  215.185   6.5442  126.047   7.5253  135.001   11.690  119.709   9.8341  221.446   9.7689  208.925   8.7108 12.52098 13.08848 
1 1 1  -25   14   42 o   96.897   12.262   28.823   6.0042   20.818   9.2036   34.755   7.9222   82.473   20.688  111.321   13.170 -28.84796 24.52386 
1 1 1  -25   14   43 o   65.058   15.059   12.562   6.0418   11.153   9.8840   13.403   7.6342   63.386   22.722   66.730   19.767 -3.344460 30.11739 
1 1 1  -25   14   44 o  121.533   9.7121   40.827   6.2989   47.952   9.9059   35.991   8.1613  130.096   14.091  112.970   13.369 17.12588 19.42411 
1 1 1  -25   14   45 o  130.533   9.1482   48.117   6.3476   47.848   9.8737   48.306   8.2871  129.706   14.087  131.359   11.675 -1.652496 18.29642 
1 1 1  -25   14   46 o  147.383   8.1417   59.158   6.3800   71.423   10.196   51.264   8.1793  159.423   11.835  135.344   11.184 24.07892 16.28349 
1 1 1  -25   14   47 o  115.257   12.085   42.415   6.6855   25.700   10.112   55.395   8.9109   90.196   21.119  140.318   11.752 -50.12254 24.16905 
1 1 1  -25   14   48 o   64.896   14.707   11.243   6.1782   20.817   9.7303   4.7764   7.9971   80.610   21.809   49.181   19.735 31.42984 29.41310 
1 1 1  -25   14   49 o   52.419   14.745   5.6682   6.1252   9.2916   9.9504   3.4575   7.7724   58.515   22.445   46.323   19.129 12.19221 29.49029 
1 1 1  -25   14   50 o  119.766   10.360   41.118   6.6055   45.585   10.450   38.145   8.5247  124.568   15.524  114.964   13.722 9.603760 20.71983 
1 1 1  -25   14   51 o   54.421   15.081   7.8591   6.5725   4.7841   9.7127   10.457   8.9268   50.478   21.157   58.364   21.496 -7.886280 30.16121 
1 1 1  -25   14   52 o   48.759   15.634  -1.0227   7.8135   3.2365   15.300  -2.5254   9.0879   56.394   25.059   41.124   18.699 15.26952 31.26708 
1 1 1  -25   14   54 o   65.746   27.073   16.570   15.512   16.570   15.512   0.0000   0.0000   65.746   27.073  ?   ?       ?      ? 
1 1 1  -25   14   55 o  100.174   16.349   32.325   8.2908   53.311   15.081   23.235   9.9253  120.476   24.008   79.873   22.198 40.60260 32.69722 
1 1 1  -25   14   56 o  128.286   11.114   50.599   7.6157   62.298   11.634   41.827   10.074  141.582   15.207  114.989   16.213 26.59227 22.22842 
1 1 1  -25   15    1 o  300.134   6.2686  244.165   10.153  239.707   14.666  248.268   14.069  297.480   9.1237  302.788   8.5988 -5.308258 12.53721 
1 1 1  -25   15    2 o  194.572   7.1417  102.194   7.4808  107.160   11.166   98.150   10.077  198.826   10.393  190.318   9.7982 8.507507 14.28334 
1 1 1  -25   15    3 o  247.405   9.7995  165.860   13.101  165.860   13.101   0.0000   0.0000  247.405   9.7995  ?   ?       ?      ? 
1 1 1  -25   15    4 o  242.820   6.6155  159.988   8.6420  156.811   12.767  162.673   11.740  240.559   9.8218  245.081   8.8651 -4.521835 13.23094 
1 1 1  -25   15    5 o  486.504   7.1158  641.114   18.699  616.044   26.133  667.415   26.767  476.752   10.144  496.256   9.9819 -19.50464 14.23162 
1 1 1  -25   15    6 o  211.945   6.9966  121.539   7.9736  123.670   11.928  119.818   10.722  213.592   10.334  210.297   9.4348 3.295258 13.99329 
1 1 1  -25   15    8 o   97.104   12.285   25.839   6.2660   31.283   9.3899   21.469   8.4133  107.153   16.217   87.054   18.458 20.09872 24.56969 
1 1 1  -25   15    9 o  359.090   8.7357  349.264   16.951   0.0000   0.0000  349.264   16.951  ?   ?   359.090   8.7357      ?      ? 
1 1 1  -25   15   10 f  423.608   9.1919  486.220   21.041   0.0000   0.0000  486.220   21.041  ?   ?   423.608   9.1919      ?      ? 
1 1 1  -25   15   11 o  424.554   6.7356  489.015   15.434  477.191   22.211  500.055   21.462  419.547   9.7969  429.560   9.2462 -10.01318 13.47117 
1 1 1  -25   15   12 o  253.285   6.4596  174.042   8.7772  172.346   13.197  175.387   11.753  252.129   9.6866  254.441   8.5486 -2.311462 12.91925 
1 1 1  -25   15   13 o  382.088   6.5534  396.256   13.513  379.364   19.312  412.460   18.914  374.060   9.5543  390.116   8.9723 -16.05597 13.10674 
1 1 1  -25   15   14 o  300.725   8.3865  245.869   13.608  242.568   19.714  248.874   18.807  298.745   12.212  302.705   11.498 -3.960144 16.77293 
1 1 1  -25   15   15 f  336.257   11.645  307.207   21.158   0.0000   0.0000  307.207   21.158  ?   ?   336.257   11.645      ?      ? 
1 1 1  -25   15   16 o  172.118   14.314   80.743   13.313   0.0000   0.0000   80.743   13.313  ?   ?   172.118   14.314      ?      ? 
1 1 1  -25   15   17 o  341.183   12.421  316.667   22.900  316.667   22.900   0.0000   0.0000  341.183   12.421  ?   ?       ?      ? 
1 1 1  -25   15   18 o  308.657   8.7839  259.180   14.645  269.595   20.882  249.099   20.544  314.783   12.276  302.531   12.567 12.25229 17.56777 
1 1 1  -25   15   19 o  359.237   8.6424  349.948   16.777   0.0000   0.0000  349.948   16.777  ?   ?   359.237   8.6424      ?      ? 
1 1 1  -25   15   20 o  257.281   6.5553  181.334   9.0272  160.785   13.171  199.538   12.397  243.309   10.018  271.253   8.4575 -27.94383 13.11064 
1 1 1  -25   15   21 o  165.109   8.2328   72.468   7.2408   84.890   11.484   64.271   9.3286  176.533   12.039  153.686   11.233 22.84695 16.46555 
1 1 1  -25   15   22 o  399.013   6.5686  433.059   14.140  418.654   20.370  446.453   19.643  392.528   9.6035  405.498   8.9644 -12.97000 13.13729 
1 1 1  -25   15   23 o  180.533   7.9268   89.237   7.6206   85.832   11.697   91.748   10.045  177.392   12.203  183.674   10.121 -6.282486 15.85359 
1 1 1  -25   15   24 o  335.350   9.3119  302.384   16.512  330.180   26.684  285.135   21.020  347.337   14.217  323.363   12.030 23.97314 18.62376 
1 1 1  -25   15   25 o  311.047   9.4779  265.161   15.556  261.487   24.729  267.568   20.011  308.852   14.818  313.242   11.822 -4.390228 18.95577 
1 1 1  -25   15   26 o  188.958   9.2229   97.104   9.2758   94.590   12.047  100.766   14.538  186.150   11.976  191.766   14.029 -5.615829 18.44583 
1 1 1  -25   15   27 o  325.224   6.2168  286.344   10.825  295.999   16.582  279.174   14.290  329.863   9.3029  320.584   8.2491 9.278961 12.43351 
1 1 1  -25   15   28 o  224.193   6.7897  136.876   8.0786  136.958   12.676  136.819   10.484  224.081   10.468  224.304   8.6495 -0.2223206 13.57931 
1 1 1  -25   15   29 o  176.840   7.6848   86.392   7.2192   79.304   11.003   91.750   9.5660  170.194   11.964  183.485   9.6481 -13.29044 15.36961 
1 1 1  -25   15   30 o  364.506   6.2878  361.998   12.358  357.382   18.015  366.100   16.985  362.211   9.2039  366.801   8.5692 -4.590454 12.57555 
1 1 1  -25   15   31 o  176.618   7.5843   85.311   7.0307   85.086   11.371   85.450   8.9454  176.184   11.944  177.053   9.3500 -0.8688049 15.16866 
1 1 1  -25   15   32 o  156.961   8.2217   66.638   6.9099   74.271   10.686   61.153   9.0589  164.503   12.021  149.420   11.220 15.08270 16.44331 
1 1 1  -25   15   33 o  194.917   7.1073  104.448   7.3458  101.040   11.449  106.833   9.5767  191.955   11.038  197.879   8.9563 -5.923828 14.21456 
1 1 1  -25   15   34 o   42.719   13.201  -1.0115   5.6535  -0.5499   9.0019  -1.3120   7.2649   45.503   19.746   39.934   17.525 5.568943 26.40174 
1 1 1  -25   15   35 o  134.796   9.3361   52.330   6.5128   39.259   9.8241   62.579   8.6990  118.603   15.329  150.989   10.662 -32.38672 18.67223 
1 1 1  -25   15   36 o  195.041   6.9298  103.680   7.1356  106.895   11.451  101.638   9.1237  197.223   10.744  192.859   8.7547 4.363647 13.85953 
1 1 1  -25   15   37 o  236.875   6.4425  155.639   8.1280  137.858   12.103  170.248   10.970  224.068   9.9957  249.681   8.1308 -25.61255 12.88508 
1 1 1  -25   15   38 o  115.415   10.395   36.429   6.3612   42.444   10.271   32.686   8.1022  122.704   15.491  108.126   13.867 14.57839 20.79072 
1 1 1  -25   15   39 o   95.971   12.606   26.542   6.1937   30.023   9.8822   24.290   7.9487  100.742   18.846   91.201   16.746 9.540352 25.21118 
1 1 1  -25   15   40 o  122.951   10.137   43.526   6.5439   37.266   10.033   48.162   8.6332  114.376   16.233  131.527   12.147 -17.15096 20.27453 
1 1 1  -25   15   41 o  120.789   10.215   41.724   6.4689   39.005   10.270   43.512   8.3288  116.769   16.276  124.809   12.349 -8.039932 20.43096 
1 1 1  -25   15   42 o  129.133   9.6377   45.887   6.6114   52.920   10.592   41.398   8.4624  136.773   14.331  121.493   12.890 15.28053 19.27537 
1 1 1  -25   15   43 o  183.023   7.4861   92.089   7.3217   99.311   11.383   86.993   9.5620  188.805   11.158  177.242   9.9837 11.56233 14.97225 
1 1 1  -25   15   44 o   91.838   13.038   24.902   6.1485   29.366   9.8139   22.017   7.8885   98.215   19.180   85.461   17.666 12.75404 26.07582 
1 1 1  -25   15   45 o  142.581   9.3178   59.268   6.8603   51.255   10.990   64.384   8.7816  133.299   15.257  151.863   10.701 -18.56381 18.63569 
1 1 1  -25   15   46 o  179.369   7.6852   90.061   7.3062   89.598   11.475   90.376   9.4746  178.370   11.906  180.367   9.7211 -1.997696 15.37040 
1 1 1  -25   15   47 o   48.226   14.081   3.4241   6.1104  -1.9348   10.047   6.5702   7.6978   44.729   20.061   51.724   19.765 -6.994850 28.16149 
1 1 1  -25   15   48 o   91.972   13.758   25.471   6.4418   31.498   10.743   22.087   8.0494   99.539   20.650   84.404   18.185 15.13455 27.51599 
1 1 1  -25   15   49 o   58.964   15.651   9.9577   6.7311   9.2536   10.304   10.482   8.8898   58.525   22.734   59.404   21.516 -0.8786964 31.30152 
1 1 1  -25   15   50 o   95.873   13.642   28.208   6.8824   37.849   10.894   21.805   8.8784  110.455   18.253   81.291   20.279 29.16381 27.28364 
1 1 1  -25   15   51 o   36.107   12.738 -19.4201   7.5632 -14.0788   15.007 -21.2386   8.7565   44.303   21.315   27.910   13.955 16.39304 25.47660 
1 1 1  -25   15   53 o   77.744   28.547   26.441   15.726   26.441   15.726   0.0000   0.0000   77.744   28.547  ?   ?       ?      ? 
1 1 1  -25   15   54 o  219.761   9.2903  142.700   10.015  147.500   18.475  140.703   11.917  217.897   15.691  221.624   9.9513 -3.726761 18.58062 
1 1 1  -25   15   55 o   91.420   15.148   30.031   7.3261   28.881   11.051   30.932   9.7854   87.911   22.999   94.929   19.721 -7.018105 30.29586 
1 1 1  -25   16    1 o  207.335   6.9355  116.608   7.7681  115.372   11.084  117.801   10.890  206.245   9.9451  208.426   9.6694 -2.181549 13.87096 
1 1 1  -25   16    2 o   50.632   14.446   2.7077   6.1628   5.7734   9.0245   0.0287   8.4362   55.622   21.366   45.641   19.449 9.981312 28.89196 
1 1 1  -25   16    3 o   87.610   18.803   21.807   8.6351   0.0000   0.0000   21.807   8.6351  ?   ?    87.610   18.803      ?      ? 
1 1 1  -25   16    4 o  265.089   6.3970  190.329   9.1475  192.749   13.371  188.199   12.542  266.650   9.2798  263.527   8.8074 3.122986 12.79391 
1 1 1  -25   16    5 o  129.926   9.4604   45.994   6.6314   43.394   9.4336   48.534   9.3238  126.261   13.827  133.592   12.916 -7.331169 18.92090 
1 1 1  -25   16    6 o  118.457   10.434   38.130   6.6454   43.746   9.6664   33.098   9.1507  126.747   14.114  110.169   15.371 16.57815 20.86794 
1 1 1  -25   16    7 o  302.227   6.3966  248.154   10.420  237.402   15.071  258.001   14.423  295.898   9.4254  308.555   8.6501 -12.65692 12.79311 
1 1 1  -25   16    8 o  172.779   7.9011   80.754   7.3241   83.600   11.120   78.573   9.7338  175.412   11.731  170.145   10.587 5.266769 15.80222 
1 1 1  -25   16    9 o  263.848   9.6454  188.813   13.752  188.813   13.752   0.0000   0.0000  263.848   9.6454  ?   ?       ?      ? 
1 1 1  -25   16   10 o  258.485   7.5494  181.152   10.457  179.585   13.894  183.198   15.882  257.274   9.9945  259.695   11.318 -2.421539 15.09886 
1 1 1  -25   16   11 o  314.091   8.3004  268.273   14.070  264.865   20.345  271.396   19.479  312.126   12.063  316.055   11.405 -3.929138 16.60083 
1 1 1  -25   16   12 o  330.680   8.5111  297.506   15.187  278.378   21.406  316.892   21.550  319.911   12.383  341.450   11.680 -21.53934 17.02217 
1 1 1  -25   16   13 o  515.495   10.132  724.208   28.214  704.955   39.342  744.594   40.483  508.448   14.319  522.541   14.337 -14.09351 20.26311 
1 1 1  -25   16   14 o  264.470   8.6776  190.469   12.389  185.405   17.759  195.270   17.293  260.994   12.592  267.946   11.943 -6.952148 17.35530 
1 1 1  -25   16   15 o   85.278   13.639   23.553   7.3303  -0.9142   12.197   37.386   9.1714   53.518   23.104  117.038   14.502 -63.51949 27.27856 
1 1 1  -25   16   16 o  573.718   10.058  906.857   28.776  876.126   51.369  920.910   34.738  565.412   16.813  582.024   11.045 -16.61237 20.11662 
1 1 1  -25   16   17 o  290.770   8.6761  223.627   11.649  243.243   24.215  217.720   13.287  298.242   15.025  283.297   8.6798 14.94534 17.35228 
1 1 1  -25   16   18 o  704.993   11.355  1346.63   40.366  1318.43   48.752  1408.11   71.986  695.186   12.978  714.800   18.637 -19.61420 22.71026 
1 1 1  -25   16   19 o  144.335   11.474   56.085   8.7985   51.511   11.278   63.198   14.064  137.100   15.223  151.569   17.172 -14.46840 22.94804 
1 1 1  -25   16   20 o  309.560   6.3797  259.854   10.609  263.910   15.941  256.630   14.215  311.643   9.4662  307.476   8.5554 4.167664 12.75943 
1 1 1  -25   16   21 o  286.941   6.4218  224.242   9.8785  218.467   14.830  228.850   13.245  283.508   9.6803  290.374   8.4410 -6.866425 12.84361 
1 1 1  -25   16   22 o  122.714   15.700   42.291   8.2866   43.536   18.126   41.962   9.3173  121.585   28.145  123.842   13.923 -2.256966 31.40082 
1 1 1  -25   16   23 o  211.893   11.221  122.903   12.425  125.428   20.424  121.419   15.656  213.164   17.731  210.621   13.756 2.543411 22.44105 
1 1 1  -25   16   24 o   78.553   19.070   16.870   9.9660   5.4910   18.375   21.613   11.862   70.807   29.340   86.299   24.368 -15.49138 38.13948 
1 1 1  -25   16   25 o  262.572   6.5179  188.025   9.1921  183.080   13.672  192.103   12.418  259.305   9.7572  265.839   8.6444 -6.533539 13.03573 
1 1 1  -25   16   26 o  277.143   8.5418  208.863   12.792   0.0000   0.0000  208.863   12.792  ?   ?   277.143   8.5418      ?      ? 
1 1 1  -25   16   27 o  331.507   6.2829  299.127   11.180  299.027   16.804  299.206   14.975  331.316   9.3859  331.697   8.3549 -0.3810425 12.56579 
1 1 1  -25   16   28 o   79.952   14.460   19.318   6.4069   13.024   9.9711   23.744   8.3614   68.963   22.907   90.941   17.652 -21.97828 28.91926 
1 1 1  -25   16   29 o  174.906   7.8680   83.921   7.2909   82.510   11.445   84.885   9.4584  173.442   12.212  176.369   9.9245 -2.926804 15.73592 
1 1 1  -25   16   30 o   92.418   13.126   24.657   6.3333   22.716   9.8029   26.047   8.2975   87.962   20.928   96.874   15.851 -8.911880 26.25286 
1 1 1  -25   16   31 o   72.686   14.941   15.382   6.1292   15.044   9.8445   15.596   7.8325   72.335   22.654   73.036   19.485 -0.7010574 29.88155 
1 1 1  -25   16   32 o   65.261   14.857   10.733   6.0006   17.670   9.7216   6.4627   7.6270   77.316   22.140   53.205   19.817 24.11022 29.71307 
1 1 1  -25   16   33 f   99.301   12.069   28.640   6.0338   26.292   9.8833   30.035   7.6184   94.482   19.982  104.120   13.541 -9.638062 24.13813 
1 1 1  -25   16   34 o   51.419   19.967   5.2285   7.9468   0.0000   0.0000   5.2285   7.9468  ?   ?    51.419   19.967      ?      ? 
1 1 1  -25   16   35 o  153.179   12.769   65.013   10.570   65.013   10.570   0.0000   0.0000  153.179   12.769  ?   ?       ?      ? 
1 1 1  -25   16   36 o  107.453   11.353   33.528   6.2570   29.959   9.6609   36.107   8.2120  101.056   18.368  113.849   13.349 -12.79277 22.70630 
1 1 1  -25   16   37 o  136.108   8.9789   52.142   6.3914   48.981   10.241   54.159   8.1800  132.145   14.342  140.072   10.807 -7.926590 17.95786 
1 1 1  -25   16   38 o   59.394   14.033   8.9958   6.1242  -1.3290   9.5391   16.235   7.9878   45.316   19.978   73.472   19.711 -28.15582 28.06526 
1 1 1  -25   16   39 o   45.114   13.699   0.7043   6.0021  -1.6474   9.3429   2.3569   7.8320   44.319   19.643   45.908   19.100 -1.589436 27.39803 
1 1 1  -25   16   40 f  196.400   7.1224  106.660   7.4833  105.991   11.390  107.169   9.9266  195.542   10.779  197.259   9.3127 -1.717453 14.24475 
1 1 1  -25   16   41 o  152.017   8.3570   64.397   6.6986   64.954   10.718   64.040   8.5807  152.024   13.047  152.010   10.446 0.1461792E-01 16.71408 
1 1 1  -25   16   42 o   51.029   14.112   5.3285   5.8616   0.1521   9.4081   8.6127   7.4939   46.123   20.100   55.934   19.813 -9.811199 28.22368 
1 1 1  -25   16   43 o   53.760   14.718   6.7257   5.9526   7.0417   9.7259   6.5365   7.5271   55.762   21.962   51.757   19.600 4.005337 29.43638 
1 1 1  -25   16   44 o  147.983   8.7527   60.091   6.7447   68.479   11.426   55.606   8.3557  154.993   13.643  140.974   10.969 14.01868 17.50545 
1 1 1  -25   16   45 o  123.816   10.546   44.774   6.7768   41.557   10.972   46.758   8.6168  118.982   17.066  128.651   12.395 -9.668861 21.09194 
1 1 1  -25   16   46 o  135.965   9.5442   53.321   6.7930   50.796   10.876   54.936   8.6984  132.286   15.215  139.645   11.527 -7.358551 19.08845 
1 1 1  -25   16   47 f   65.689   15.088   13.665   6.7135   5.3641   10.440   19.517   8.7662   53.407   22.122   77.971   20.525 -24.56363 30.17691 
1 1 1  -25   16   48 o   65.049   15.405   11.831   6.7602   21.485   10.458   4.9011   8.8602   80.007   22.979   50.092   20.524 29.91466 30.81011 
1 1 1  -25   16   49 o  180.194   8.1186   93.262   7.7432   91.023   12.127   94.803   10.061  177.275   12.659  183.114   10.168 -5.839493 16.23730 
1 1 1  -25   16   50 o   60.033   26.413   5.7950   16.593   5.7950   16.593   0.0000   0.0000   60.033   26.413  ?   ?       ?      ? 
1 1 1  -25   16   52 o  153.010   22.277   82.568   18.419   82.568   18.419   0.0000   0.0000  153.010   22.277  ?   ?       ?      ? 
1 1 1  -25   16   53 o   59.942   17.231   8.7067   8.1658   22.973   15.193   2.9112   9.6834   73.401   27.834   46.482   20.320 26.91916 34.46225 
1 1 1  -25   16   54 f   65.676   15.925   14.783   6.9645   23.895   11.052   8.7813   8.9694   78.292   23.920   53.060   21.029 25.23256 31.84954 
1 1 1  -25   17    1 o  147.534   8.7031   59.040   6.9240   64.595   10.083   54.082   9.5250  154.098   12.109  140.970   12.504 13.12834 17.40611 
1 1 1  -25   17    2 o  172.118   7.7917   80.480   7.2462   81.905   10.308   79.087   10.189  173.628   10.986  170.608   11.052 3.019577 15.58348 
1 1 1  -25   17    3 f  262.832   9.4187  187.408   13.377  187.408   13.377   0.0000   0.0000  262.832   9.4187  ?   ?       ?      ? 
1 1 1  -25   17    4 o  332.868   6.3660  300.118   11.434  307.029   16.699  294.019   15.688  336.446   9.1854  329.291   8.8164 7.155060 12.73191 
1 1 1  -25   17    5 o  139.062   10.290   51.602   7.6353   45.661   9.8866   60.383   12.019  129.400   14.139  148.725   14.955 -19.32474 20.58101 
1 1 1  -25   17    6 o  196.126   8.5500  104.521   8.9930  103.696   11.983  105.586   13.607  195.319   11.353  196.933   12.787 -1.613297 17.09999 
1 1 1  -25   17    7 o  295.377   8.2873  237.323   13.224  233.333   18.816  241.216   18.589  292.896   11.888  297.858   11.549 -4.962097 16.57455 
1 1 1  -25   17    8 o  224.729   8.5269  137.536   10.328  135.450   15.098  139.369   14.159  223.065   12.525  226.393   11.574 -3.327621 17.05389 
1 1 1  -25   17    9 o  137.143   11.195   51.754   8.2436   46.622   11.902   56.486   11.429  130.453   16.884  143.832   14.705 -13.37903 22.38962 
1 1 1  -25   17   10 o  140.388   11.072   53.738   8.3864   57.185   12.275   50.721   11.485  144.591   15.710  136.185   15.607 8.406128 22.14467 
1 1 1  -25   17   11 o   58.625   16.674   4.6905   8.1112   2.3401   12.243   6.5293   10.829   57.223   23.849   60.026   23.309 -2.802994 33.34790 
1 1 1  -25   17   12 o  234.420   7.0381  150.453   8.8070  140.531   13.278  158.247   11.768  227.353   10.808  241.486   9.0186 -14.13371 14.07625 
1 1 1  -25   17   13 f  255.029   6.6882  176.608   9.1537  176.621   13.774  176.597   12.250  254.963   9.9975  255.095   8.8870 -0.1322327 13.37638 
1 1 1  -25   17   14 o  285.827   8.6149  221.701   13.306   0.0000   0.0000  221.701   13.306  ?   ?   285.827   8.6149      ?      ? 
1 1 1  -25   17   15 o  426.518   9.3492  494.167   21.548   0.0000   0.0000  494.167   21.548  ?   ?   426.518   9.3492      ?      ? 
1 1 1  -25   17   16 o  276.062   6.5637  207.654   9.7531  198.629   14.246  215.616   13.380  270.322   9.7529  281.803   8.7869 -11.48148 13.12740 
1 1 1  -25   17   17 o  347.703   8.8938  343.927   14.756  299.324   27.532  361.903   17.478  330.335   15.424  365.071   8.8600 -34.73535 17.78755 
1 1 1  -25   17   18 o  187.948   11.214   80.418   9.2743  128.108   22.215   70.352   10.206  215.243   19.100  160.653   11.757 54.59035 22.42823 
1 1 1  -25   17   19 o  306.702   8.0981  258.045   12.967  263.213   16.445  249.549   21.084  311.144   9.7813  302.260   12.909 8.884399 16.19611 
1 1 1  -25   17   20 o  158.510   10.522   68.132   8.8593   64.835   11.403   73.153   14.072  153.909   13.711  163.112   15.965 -9.202560 21.04454 
1 1 1  -25   17   21 o  212.249   11.696  129.315   12.764  103.446   20.152  146.644   16.494  193.015   19.322  231.483   13.186 -38.46751 23.39209 
1 1 1  -25   17   22 o  244.759   10.589  165.326   13.426  162.725   22.317  166.802   16.807  242.614   17.023  246.904   12.597 -4.290161 21.17701 
1 1 1  -25   17   23 o  127.372   16.172   44.314   10.344   53.806   18.188   39.775   12.577  135.356   25.809  119.388   19.495 15.96732 32.34414 
1 1 1  -25   17   24 o  230.973   6.8575  146.497   8.4624  136.725   12.706  154.287   11.344  223.826   10.506  238.119   8.8166 -14.29330 13.71493 
1 1 1  -25   17   25 o  100.737   12.590   28.645   6.5499   28.907   10.391   28.473   8.4374   99.953   19.937  101.520   15.381 -1.566917 25.18011 
1 1 1  -25   17   26 o   62.517   14.971   10.356   6.2142   5.8499   9.5706   13.641   8.1709   56.020   21.868   69.014   20.452 -12.99420 29.94172 
1 1 1  -25   17   27 f   82.637   14.793   19.971   6.5705   20.102   9.9921   19.872   8.7212   82.743   21.977   82.531   19.808 0.2120667 29.58590 
1 1 1  -25   17   28 o  190.523   7.2141   98.767   7.3320  101.874   11.386   96.566   9.5833  192.914   10.923  188.133   9.4268 4.781113 14.42813 
1 1 1  -25   17   29 o  253.120   6.5714  173.241   8.8843  185.671   13.831  164.510   11.592  260.621   9.8209  245.618   8.7340 15.00264 13.14279 
1 1 1  -25   17   30 o  108.001   10.990   31.617   6.3214   39.814   9.8924   25.960   8.2182  119.553   15.313   96.450   15.768 23.10282 21.98015 
1 1 1  -25   17   31 o  106.129   11.364   31.271   6.3981   32.824   10.151   30.248   8.2409  107.984   17.397  104.275   14.625 3.708527 22.72809 
1 1 1  -25   17   32 o  196.273   7.1941  105.901   7.5338  103.943   11.548  107.353   9.9408  194.448   10.990  198.098   9.2865 -3.650620 14.38821 
1 1 1  -25   17   33 o  144.840   8.9811   55.732   6.8641   69.699   11.298   47.561   8.6419  158.499   13.191  131.181   12.191 27.31856 17.96218 
1 1 1  -25   17   34 o  148.340   8.8340   60.631   6.9117   62.883   11.129   59.216   8.8188  150.174   13.714  146.505   11.140 3.669510 17.66809 
1 1 1  -25   17   35 f   96.615   12.682   27.601   6.1815   25.425   10.209   28.860   7.7671   91.733   21.043  101.498   14.162 -9.765106 25.36456 
1 1 1  -25   17   36 o  145.268   9.0218   57.490   6.9774   66.448   11.087   51.616   8.9782  154.240   13.303  136.297   12.190 17.94247 18.04351 
1 1 1  -25   17   37 o  162.363   7.9587   71.491   6.8386   81.031   11.080   65.621   8.6917  170.625   12.017  154.101   10.438 16.52400 15.91737 
1 1 1  -25   17   38 o  112.951   10.921   35.413   6.5632   41.491   10.459   31.466   8.4292  120.519   16.061  105.384   14.802 15.13467 21.84146 
1 1 1  -25   17   39 o   73.078   14.654   16.771   6.1213   12.696   9.9018   19.292   7.7878   66.106   22.820   80.050   18.390 -13.94454 29.30800 
1 1 1  -25   17   40 o   61.579   15.053   10.439   5.9807   13.526   9.6431   8.5087   7.6242   67.189   22.532   55.969   19.968 11.21989 30.10637 
1 1 1  -25   17   41 o   93.450   13.387   26.832   6.4874   23.346   10.197   29.202   8.4086   86.076   21.877  100.824   15.434 -14.74779 26.77312 
1 1 1  -25   17   42 o  137.492   9.4129   53.350   6.8308   55.062   10.951   52.260   8.7393  138.607   14.621  136.377   11.859 2.229996 18.82590 
1 1 1  -25   17   43 o  155.864   8.6212   68.714   7.0714   67.784   11.298   69.312   9.0670  154.210   13.558  157.517   10.652 -3.306564 17.24232 
1 1 1  -25   17   44 o   74.699   15.422   17.625   6.4677   18.031   10.696   17.390   8.1203   74.809   23.641   74.590   19.812 0.2192841 30.84484 
1 1 1  -25   17   45 o  148.812   9.2800   61.143   7.2641   72.909   12.054   54.433   9.1026  159.090   14.022  138.533   12.160 20.55690 18.55995 
1 1 1  -25   17   46 o   64.554   14.621   12.375   6.7536   0.9762   10.214   21.231   9.0025   47.730   20.868   81.378   20.486 -33.64837 29.24288 
1 1 1  -25   17   47 o  124.986   11.199   47.220   7.3133   42.461   11.487   50.464   9.4836  117.907   18.029  132.065   13.289 -14.15839 22.39777 
1 1 1  -25   17   48 o   61.663   15.894   12.206   6.8411   11.196   10.834   12.875   8.8221   60.576   23.372   62.749   21.547 -2.173176 31.78892 
1 1 1  -25   17   49 o  106.139   18.541   43.224   12.082   20.716   18.418   60.225   16.007   75.639   30.085  136.640   21.679 -61.00109 37.08245 
1 1 1  -25   17   51 o   55.856   24.818   7.8153   15.002   7.8153   15.002   0.0000   0.0000   55.856   24.818  ?   ?       ?      ? 
1 1 1  -25   17   52 o   47.955   15.351   1.4692   7.9898  -1.4092   15.169   2.5744   9.3993   50.085   23.271   45.825   20.027 4.259857 30.70220 
1 1 1  -25   17   53 o   79.891   16.362   24.409   7.3855   25.148   11.766   23.928   9.4875   78.831   24.779   80.951   21.374 -2.119453 32.72399 
1 1 1  -25   18    1 o  101.905   13.829   29.407   7.3887   30.788   9.8829   27.658   11.125  105.809   17.285   98.002   21.591 7.806900 27.65804 
1 1 1  -25   18    2 o  186.702   9.1669   94.976   9.2338   92.703   12.650   97.568   13.509  184.352   12.699  189.052   13.224 -4.699783 18.33384 
1 1 1  -25   18    3 o  265.724   8.0853  192.097   11.596  189.212   15.971  195.315   16.865  263.655   11.210  267.793   11.654 -4.138763 16.17051 
1 1 1  -25   18    4 o  153.079   10.373   64.213   8.5640   65.968   11.855   62.297   12.385  155.340   14.123  150.817   15.197 4.523453 20.74632 
1 1 1  -25   18    5 o  288.221   8.1931  225.852   12.749  216.014   17.601  236.712   18.491  281.633   11.566  294.809   11.608 -13.17584 16.38615 
1 1 1  -25   18    6 f  210.267   8.7629  120.577   9.9546  123.153   14.070  117.995   14.086  212.537   12.251  207.996   12.533 4.541534 17.52575 
1 1 1  -25   18    7 o  199.667   8.2382  110.606   8.6766   97.680   13.338  120.088   11.424  189.158   13.049  210.175   10.059 -21.01709 16.47631 
1 1 1  -25   18    8 o  231.439   7.0494  146.063   8.7818  139.354   12.814  152.005   12.059  226.338   10.477  236.540   9.4345 -10.20166 14.09887 
1 1 1  -25   18    9 o  178.921   10.856   87.134   10.496   0.0000   0.0000   87.134   10.496  ?   ?   178.921   10.856      ?      ? 
1 1 1  -25   18   10 o   80.847   15.200   18.366   6.7449   22.772   10.325   15.087   8.9083   88.767   21.707   72.926   21.284 15.84184 30.40054 
1 1 1  -25   18   12 o   65.263   14.253   8.4988   6.4897   21.768   9.8144  -1.8108   8.6510   86.845   21.118   43.681   19.148 43.16398 28.50642 
1 1 1  -25   18   13 o  276.452   6.7436  207.556   10.001  208.837   15.098  206.555   13.350  277.117   10.082  275.787   8.9582 1.329803 13.48721 
1 1 1  -25   18   14 o   57.296   14.866   4.4784   6.6330   14.306   10.002  -3.2379   8.8625   71.980   22.872   42.613   18.995 29.36730 29.73128 
1 1 1  -25   18   15 o   89.199   14.232   22.007   6.7090   30.797   10.462   15.867   8.7435  103.918   19.343   74.481   20.882 29.43620 28.46416 
1 1 1  -25   18   16 o   62.414   15.591   9.5932   6.6365   6.9288   9.8115   11.840   9.0103   58.564   22.329   66.264   21.764 -7.700195 31.18165 
1 1 1  -25   18   17 o  220.703   7.1442  132.653   8.5030  131.550   12.397  133.633   11.685  219.781   10.438  221.625   9.7571 -1.843903 14.28844 
1 1 1  -25   18   18 o  173.961   15.729  105.364   9.8612   58.896   21.993  117.056   11.032  140.555   29.878  207.367   9.8455 -66.81291 31.45792 
1 1 1  -25   18   19 o  247.111   9.7704  169.505   10.879  164.031   22.715  171.134   12.393  243.413   17.269  250.809   9.1441 -7.395660 19.54084 
1 1 1  -25   18   20 o  275.152   10.288  211.038   15.020  191.441   22.871  225.901   19.917  263.219   16.080  287.086   12.839 -23.86655 20.57656 
1 1 1  -25   18   21 o  100.225   16.737   32.962   11.007  -2.4977   18.523   52.320   13.686   63.431   27.907  137.020   18.484 -73.58895 33.47348 
1 1 1  -25   18   22 o  185.447   9.6814   95.896   9.5010  102.517   12.522   86.914   14.585  193.477   11.977  177.416   15.214 16.06113 19.36272 
1 1 1  -25   18   23 o   48.798   14.156   0.6681   6.5363  -8.3425   9.9734   7.4520   8.6538   40.486   18.831   57.110   21.141 -16.62399 28.31106 
1 1 1  -25   18   24 o  170.188   8.2249   77.333   7.4265   89.843   11.963   69.490   9.4727  180.980   12.233  159.396   10.998 21.58430 16.44982 
1 1 1  -25   18   25 o  140.519   9.4152   54.286   7.0664   54.848   10.869   53.875   9.3000  140.954   14.270  140.085   12.286 0.8694763 18.83031 
1 1 1  -25   18   26 o  278.739   6.4622  212.122   9.6818  210.115   14.416  213.772   13.067  277.394   9.6176  280.084   8.6339 -2.690369 12.92450 
1 1 1  -25   18   27 o  293.490   6.4054  234.604   10.094  239.821   15.223  230.511   13.485  296.241   9.5100  290.739   8.5834 5.502563 12.81071 
1 1 1  -25   18   28 o  188.845   7.5576   96.872   7.6232  103.999   11.869   91.867   9.9458  194.534   11.291  183.156   10.049 11.37785 15.11518 
1 1 1  -25   18   29 o  103.732   12.276   30.246   6.6961   35.083   10.194   26.575   8.8806  111.749   16.882   95.715   17.826 16.03362 24.55115 
1 1 1  -25   18   30 o   43.046   13.501  -2.6254   6.1147   0.3667   9.7893  -4.5397   7.8301   48.351   20.786   37.742   17.237 10.60933 27.00270 
1 1 1  -25   18   31 o  160.640   8.3848   70.999   7.2314   73.349   10.934   69.172   9.6407  162.826   12.428  158.454   11.259 4.371567 16.76959 
1 1 1  -25   18   32 o   44.243   13.209  -5.1278   6.0652   8.1695   9.4299 -14.5102   7.9211   58.575   21.992   29.912   14.638 28.66380 26.41811 
1 1 1  -25   18   33 o  148.200   8.8271   60.139   6.8644   64.787   11.296   57.418   8.6433  152.240   13.732  144.159   11.096 8.080887 17.65417 
1 1 1  -25   18   34 o  289.758   8.5606  229.999   13.404   0.0000   0.0000  229.999   13.404  ?   ?   289.758   8.5606      ?      ? 
1 1 1  -25   18   35 o  202.703   7.2197  112.505   7.8139  118.997   12.151  107.927   10.203  207.378   10.843  198.027   9.5353 9.351685 14.43950 
1 1 1  -25   18   36 o  211.654   7.1254  120.317   7.9418  138.916   13.096  109.498   9.9880  223.875   10.825  199.433   9.2682 24.44156 14.25085 
1 1 1  -25   18   37 o   58.989   13.872   5.4593   6.4000   19.907   9.5168  -6.4695   8.6476   80.293   21.504   37.686   17.530 42.60779 27.74385 
1 1 1  -25   18   38 o   80.814   14.497   19.491   6.2103   23.414   10.085   17.095   7.8821   86.769   21.595   74.858   19.346 11.91081 28.99324 
1 1 1  -25   18   39 o   81.067   14.479   19.727   6.2056   23.704   10.122   17.333   7.8549   86.963   21.630   75.170   19.253 11.79263 28.95733 
1 1 1  -25   18   40 o  127.598   9.9873   46.344   6.7382   46.744   10.684   46.080   8.6828  127.361   15.524  127.835   12.570 -0.4740906 19.97468 
1 1 1  -25   18   41 o  120.015   10.351   40.127   6.5284   46.839   10.833   36.300   8.1806  127.078   15.776  112.953   13.403 14.12498 20.70102 
1 1 1  -25   18   42 o  121.851   10.696   42.218   6.9480   46.674   10.935   39.201   8.9977  126.719   15.970  116.983   14.234 9.735580 21.39235 
1 1 1  -25   18   43 o  177.832   8.1129   88.433   7.6583   91.810   12.096   86.173   9.8939  180.035   12.433  175.628   10.425 4.407349 16.22571 
1 1 1  -25   18   44 o   89.351   14.943   25.949   7.0510   23.974   10.941   27.352   9.2209   84.939   23.188   93.762   18.853 -8.822762 29.88526 
1 1 1  -25   18   45 f  141.956   10.059   58.756   7.4809   56.806   11.991   59.999   9.5726  138.740   15.994  145.171   12.203 -6.431015 20.11723 
1 1 1  -25   18   46 o   53.583   15.442   5.5569   7.0902   11.778   11.053   1.2069   9.2425   61.801   23.667   45.365   19.842 16.43597 30.88391 
1 1 1  -25   18   47 o  109.097   13.283   37.495   7.4367   36.665   11.774   38.046   9.5922  105.415   21.401  112.780   15.740 -7.364372 26.56573 
1 1 1  -25   18   50 o   94.307   29.002   40.495   16.218   40.495   16.218   0.0000   0.0000   94.307   29.002  ?   ?       ?      ? 
1 1 1  -25   18   51 o   64.842   14.940   14.626   7.2633   0.7827   11.526   23.744   9.3545   47.219   21.305   82.465   20.951 -35.24587 29.88005 
1 1 1  -25   18   52 o   46.352   14.609   2.6368   7.4945  -1.4856   11.855   5.3811   9.6726   44.397   20.610   48.306   20.711 -3.908447 29.21816 
1 1 1  -25   19    1 o  234.518   7.5095  143.829   9.2460  174.662   15.465  126.677   11.534  253.197   11.303  215.840   9.8896 37.35681 15.01899 
1 1 1  -25   19    2 o  217.486   9.8671  128.610   11.596   0.0000   0.0000  128.610   11.596  ?   ?   217.486   9.8671      ?      ? 
1 1 1  -25   19    3 o  403.795   9.3820  443.066   20.471   0.0000   0.0000  443.066   20.471  ?   ?   403.795   9.3820      ?      ? 
1 1 1  -25   19    4 o   84.745   14.407   20.824   6.5454   17.752   9.4486   23.659   9.0759   78.609   21.585   90.881   19.088 -12.27142 28.81451 
1 1 1  -25   19    5 o  446.099   7.0633  541.224   17.011  540.474   24.582  541.914   23.564  445.738   10.206  446.459   9.7675 -0.7207031 14.12661 
1 1 1  -25   19    6 o   87.405   14.132   22.071   6.6028   27.969   9.4007   16.328   9.2762   99.196   18.209   75.614   21.618 23.58195 28.26484 
1 1 1  -25   19    7 o   47.242   13.826  -2.5645   6.5916   7.8609   9.2089 -13.5180   9.4392   59.137   21.825   35.347   16.980 23.79002 27.65201 
1 1 1  -25   19    8 o  199.099   7.5244  107.644   8.0637  110.921   12.018  104.961   10.875  201.792   11.021  196.405   10.247 5.387054 15.04887 
1 1 1  -25   19    9 o  187.014   7.7409   94.541   7.7883  103.231   11.704   87.635   10.434  194.642   11.128  179.386   10.764 15.25557 15.48185 
1 1 1  -25   19   10 o  104.885   12.935   30.981   7.1408   29.569   10.425   32.228   9.8009  101.620   19.697  108.150   16.771 -6.529243 25.86916 
1 1 1  -25   19   11 o  115.860   11.080   37.128   6.8940   34.009   10.019   39.933   9.5009  111.074   16.693  120.646   14.573 -9.571846 22.15912 
1 1 1  -25   19   12 o  105.661   12.834   32.745   6.8888   22.942   10.159   41.090   9.3729   88.920   21.401  122.402   14.171 -33.48270 25.66772 
1 1 1  -25   19   13 o   68.283   14.922   12.653   6.4563   6.0280   9.3352   18.728   8.9388   56.137   21.685   80.429   20.505 -24.29203 29.84467 
1 1 1  -25   19   14 o   37.570   12.509  -9.9664   6.5193  -7.3142   9.6733 -12.1735   8.8243   40.688   18.792   34.452   16.515 6.235542 25.01748 
1 1 1  -25   19   15 o  250.784   6.9055  171.075   9.3207  173.846   13.861  168.787   12.593  252.553   10.157  249.015   9.3584 3.537537 13.81102 
1 1 1  -25   19   16 f   47.480   14.370  -0.2872   6.6777  -3.9243   9.7789   2.8906   9.1407   44.123   19.790   50.837   20.840 -6.713779 28.73937 
1 1 1  -25   19   17 o  114.001   12.612   37.857   7.2994   29.895   11.036   44.048   9.7322  101.493   20.821  126.510   14.236 -25.01702 25.22320 
1 1 1  -25   19   18 o  267.278   10.966  198.995   15.562  187.860   23.962  207.117   20.465  260.141   17.046  274.414   13.801 -14.27322 21.93278 
1 1 1  -25   19   19 o  246.470   11.530  169.066   14.809  165.495   24.233  171.194   18.708  243.534   18.414  249.406   13.881 -5.871933 23.06041 
1 1 1  -25   19   20 o   64.773   19.284   3.6827   10.896   4.2162   19.108   3.4257   13.264   69.928   29.510   59.617   24.834 10.31062 38.56872 
1 1 1  -25   19   21 o  146.072   12.724   64.510   8.9880   78.204   11.642   44.302   14.142  168.725   12.769  123.419   22.012 45.30605 25.44743 
1 1 1  -25   19   22 o  109.821   12.259   34.675   6.9541   28.028   10.071   40.732   9.6137   98.254   19.655  121.388   14.656 -23.13387 24.51825 
1 1 1  -25   19   23 o  343.215   6.5838  322.014   12.180  311.708   17.688  331.306   16.796  337.843   9.6892  348.586   8.9166 -10.74362 13.16763 
1 1 1  -25   19   24 o   89.963   14.163   23.626   6.6996   26.300   9.8939   21.361   9.1046   94.734   19.958   85.193   20.102 9.541168 28.32640 
1 1 1  -25   19   25 o  117.696   10.464   38.525   6.6050   38.421   9.9538   38.606   8.8289  117.347   15.697  118.045   13.841 -0.6986618 20.92811 
1 1 1  -25   19   26 o  125.410   10.601   45.890   6.8227   33.259   10.332   55.658   9.0854  108.656   17.597  142.163   11.827 -33.50749 21.20204 
1 1 1  -25   19   27 o   57.376   14.122   2.2484   6.5556   18.730   10.220  -9.2738   8.5453   79.244   22.703   35.507   16.801 43.73709 28.24342 
1 1 1  -25   19   28 o  167.509   8.3281   77.798   7.4212   74.824   11.421   79.972   9.7631  164.398   12.857  170.621   10.589 -6.223572 16.65610 
1 1 1  -25   19   29 o   94.581   13.676   25.893   6.7246   32.135   10.255   21.184   8.9070  104.794   18.800   84.367   19.866 20.42688 27.35139 
1 1 1  -25   19   30 o  250.408   6.8511  171.963   9.1099  173.448   14.291  170.947   11.823  250.946   10.539  249.869   8.7567 1.077789 13.70224 
1 1 1  -25   19   31 o  159.470   8.5452   71.114   7.2314   67.325   11.159   73.858   9.4951  155.338   13.294  163.602   10.740 -8.264160 17.09033 
1 1 1  -25   19   32 o   78.021   13.818   18.942   6.4156   8.3164   9.9166   26.591   8.4135   59.197   22.478   96.845   16.077 -37.64746 27.63580 
1 1 1  -25   19   33 o  184.359   7.7734   91.211   7.5752  108.262   12.378   81.001   9.5783  197.452   11.601  171.265   10.350 26.18697 15.54680 
1 1 1  -25   19   34 o   51.475   14.285   4.2699   6.3028  -3.5105   9.7212   9.9125   8.2787   43.233   19.531   59.717   20.852 -16.48326 28.56990 
1 1 1  -25   19   35 o   66.030   15.413   12.872   6.3161   12.421   10.069   13.165   8.1102   65.779   22.994   66.281   20.530 -0.5015793 30.82591 
1 1 1  -25   19   36 o  116.520   11.748   40.538   6.9200   34.364   10.800   44.838   9.0133  106.816   19.427  126.223   13.215 -19.40695 23.49525 
1 1 1  -25   19   37 o   84.934   14.560   22.246   6.5590   23.088   10.059   21.623   8.6508   85.841   21.681   84.026   19.439 1.815102 29.11911 
1 1 1  -25   19   38 f   76.375   15.129   18.039   6.3821   19.803   10.195   16.902   8.1839   78.909   22.695   73.841   20.011 5.068207 30.25749 
1 1 1  -25   19   39 o   99.327   12.957   29.350   6.6967   31.241   10.533   28.067   8.6760  100.479   20.101   98.175   16.354 2.304108 25.91393 
1 1 1  -25   19   40 o   74.360   14.956   15.789   6.3696   25.955   10.499   9.8683   8.0124   90.269   21.776   58.451   20.508 31.81805 29.91251 
1 1 1  -25   19   41 o  132.545   10.268   49.974   7.1480   52.737   11.663   48.312   9.0459  134.576   16.039  130.514   12.826 4.061264 20.53666 
1 1 1  -25   19   42 o  204.927   7.8281  117.152   8.5410  124.126   13.416  112.399   11.075  209.411   11.856  200.443   10.225 8.967484 15.65622 
1 1 1  -25   19   43 o   73.359   16.037   17.501   6.9360   18.814   10.708   16.553   9.1040   75.238   23.637   71.480   21.681 3.757820 32.07470 
1 1 1  -25   19   44 o  112.960   13.017   37.906   7.6135   50.556   12.092   29.598   9.7999  129.374   17.297   96.546   19.457 32.82793 26.03366 
1 1 1  -25   19   45 o   60.666   15.667   11.637   7.0119   5.7874   11.153   15.460   9.0165   53.555   22.570   67.778   21.736 -14.22389 31.33452 
1 1 1  -25   19   46 f   41.620   13.841 -11.1785   8.5869  -0.0439   11.140 -27.4775   13.478   47.606   21.253   35.633   17.736 11.97314 27.68167 
1 1 1  -25   19   49 o   54.014   16.566   7.4546   8.7868   4.6734   15.276   8.8298   10.742   53.708   24.353   54.320   22.464 -0.6116753 33.13128 
1 1 1  -25   19   50 o   78.699   16.241   21.681   7.4831   32.440   11.848   14.540   9.6518   93.830   23.437   63.568   22.489 30.26215 32.48156 
1 1 1  -25   19   51 o   89.988   15.365   31.947   7.7207   23.378   12.388   37.389   9.8728   73.315   25.512  106.661   17.130 -33.34518 30.72938 
1 1 1  -25   20    1 o  262.638   6.7598  188.704   9.5464  174.118   13.824  202.000   13.199  252.768   10.121  272.508   8.9632 -19.73969 13.51962 
1 1 1  -25   20    2 o   72.557   13.736   13.874   6.3864   2.1523   8.9038   26.296   9.1655   49.298   20.425   95.815   18.371 -46.51707 27.47133 
1 1 1  -25   20    3 o  236.860   6.8763  152.467   8.7915  159.987   12.796  145.742   12.100  242.372   9.7698  231.348   9.6789 11.02466 13.75251 
1 1 1  -25   20    4 o  159.233   8.6961   69.593   7.3717   54.968   10.226   85.419   10.637  141.577   13.366  176.889   11.128 -35.31178 17.39225 
1 1 1  -25   20    5 o  141.580   9.6149   54.764   7.3331   61.184   10.735   49.148   10.041  149.373   13.300  133.787   13.889 15.58578 19.22983 
1 1 1  -25   20    6 o  112.850   11.411   35.406   6.9052   31.136   9.9081   39.438   9.6287  106.008   17.297  119.692   14.887 -13.68385 22.82116 
1 1 1  -25   20    7 o   87.176   13.999   21.758   6.8502   32.559   9.8098   11.480   9.5699  108.473   16.736   65.879   22.444 42.59402 27.99716 
1 1 1  -25   20    8 o   83.021   13.112   19.514   6.7752   2.4271   9.6201   36.329   9.5435   51.267   21.235  114.775   15.388 -63.50812 26.22399 
1 1 1  -25   20    9 o   88.214   14.451   22.490   6.8730   30.298   9.9941   15.484   9.4671  102.855   18.669   73.573   22.063 29.28174 28.90163 
1 1 1  -25   20   10 o  212.065   7.4911  122.813   8.5728  121.236   12.402  124.257   11.863  210.699   10.893  213.431   10.286 -2.732010 14.98219 
1 1 1  -25   20   11 o   40.485   13.105  -6.2947   6.4846  -3.2117   9.4017  -9.0922   8.9557   43.857   19.556   37.113   17.450 6.744499 26.20937 
1 1 1  -25   20   12 o  125.985   14.416   43.720   9.8144   0.0000   0.0000   43.720   9.8144  ?   ?   125.985   14.416      ?      ? 
1 1 1  -25   20   13 o  125.719   10.430   43.571   7.0838   44.771   10.122   42.419   9.9168  127.424   14.701  124.015   14.798 3.408089 20.85913 
1 1 1  -25   20   14 o  143.388   9.6760   55.855   7.4351   67.028   11.168   46.961   9.9641  156.191   13.233  130.585   14.121 25.60548 19.35196 
1 1 1  -25   20   15 o  132.504   10.445   48.710   7.4258   45.846   10.970   51.132   10.088  128.695   15.775  136.314   13.696 -7.618790 20.89097 
1 1 1  -25   20   16 f  166.763   15.931   87.891   10.227   67.410   23.151   92.857   11.400  149.352   29.731  184.173   11.455 -34.82051 31.86124 
1 1 1  -25   20   17 o  106.308   19.183   37.065   11.923   14.959   20.963   47.635   14.496   82.668   32.339  129.948   20.644 -47.27946 38.36634 
1 1 1  -25   20   18 o   68.511   20.027  -5.1379   11.654   23.378   22.466 -15.6374   13.632   92.887   34.118   44.135   20.981 48.75250 40.05326 
1 1 1  -25   20   19 o  294.284   6.8234  237.048   10.818  218.018   15.396  255.608   15.204  282.446   10.087  306.122   9.1915 -23.67679 13.64689 
1 1 1  -25   20   20 o  180.760   12.613   92.669   9.5942   89.910   21.838   93.329   10.680  176.936   22.841  184.584   10.708 -7.648514 25.22616 
1 1 1  -25   20   21 o   83.242   15.119   19.726   7.0689   29.420   10.684   12.177   9.4276  100.093   20.444   66.392   22.278 33.70107 30.23704 
1 1 1  -25   20   22 o   79.481   17.122   19.422   8.4913   25.130   10.535   8.8401   14.345   91.917   21.580   67.045   26.587 24.87238 34.24328 
1 1 1  -25   20   23 o  187.456   7.9049   97.162   7.9561   88.934   11.576  104.527   10.953  179.671   11.924  195.242   10.381 -15.57137 15.80972 
1 1 1  -25   20   24 o   69.166   14.581   13.589   6.5869   3.5944   9.8605   21.642   8.8516   52.706   21.630   85.626   19.559 -32.92057 29.16211 
1 1 1  -25   20   25 o  260.794   6.8384  186.846   9.6038  177.973   13.956  194.827   13.236  254.719   10.139  266.869   9.1787 -12.14969 13.67681 
1 1 1  -25   20   26 o   42.901   13.571  -3.2978   6.4201  -0.6486   9.7361  -5.3360   8.5398   46.918   20.447   38.884   17.849 8.033321 27.14102 
1 1 1  -25   20   27 o  150.132   9.4483   61.683   7.5316   68.361   12.035   57.385   9.6563  156.398   14.241  143.866   12.421 12.53137 18.89653 
1 1 1  -25   20   28 o   80.912   14.698   20.814   6.6927   12.559   10.649   26.204   8.6046   67.211   23.639   94.614   17.474 -27.40279 29.39599 
1 1 1  -25   20   29 o   76.649   14.141   16.674   6.3701   27.782   9.5623   7.8126   8.5413   96.801   18.959   56.498   20.985 40.30269 28.28125 
1 1 1  -25   20   30 o   87.436   14.265   21.822   6.6275   32.297   10.554   15.003   8.5157  104.182   19.464   70.690   20.861 33.49174 28.53089 
1 1 1  -25   20   31 o   73.459   14.829   14.839   6.7274   26.436   10.240   6.0327   8.9233   93.155   20.862   53.763   21.080 39.39217 29.65786 
1 1 1  -25   20   32 o  157.080   8.6873   67.690   7.3073   78.971   11.275   59.521   9.5952  168.113   12.412  146.047   12.158 22.06639 17.37455 
1 1 1  -25   20   33 o  189.383   7.7466   98.316   7.8339  107.325   12.237   92.060   10.198  196.373   11.532  182.393   10.347 13.98047 15.49320 
1 1 1  -25   20   34 o  163.375   8.4559   73.457   7.3441   80.847   11.674   68.616   9.4480  169.710   12.730  157.039   11.134 12.67099 16.91184 
1 1 1  -25   20   35 o   62.191   14.016   9.8777   6.6173  -4.4338   10.173   20.376   8.7125   43.089   19.666   81.293   19.976 -38.20348 28.03259 
1 1 1  -25   20   36 o   45.303   13.512  -3.0386   6.6705 -16.8999   9.9131   8.4307   9.0173   33.476   16.381   57.130   21.494 -23.65460 27.02483 
1 1 1  -25   20   37 o   77.323   15.231   18.804   6.5423   19.983   10.077   17.945   8.6016   79.003   22.513   75.643   20.522 3.360085 30.46278 
1 1 1  -25   20   38 f  119.709   10.974   39.462   6.9123   51.600   11.472   32.544   8.6610  133.227   15.935  106.191   15.094 27.03611 21.94892 
1 1 1  -25   20   39 o   61.461   14.879   10.262   6.7850   0.0932   10.314   18.020   9.0090   47.512   20.866   75.411   21.216 -27.89934 29.75719 
1 1 1  -25   20   40 o  102.296   13.134   30.799   7.0109   39.789   11.081   24.797   9.0535  115.485   17.757   89.106   19.356 26.37856 26.26733 
1 1 1  -25   20   41 o   89.730   14.855   24.622   7.0540   34.833   11.296   18.094   9.0316  104.735   20.693   74.725   21.320 30.01003 29.71054 
1 1 1  -25   20   42 o  116.356   11.717   39.794   7.2869   43.830   11.343   36.959   9.5084  120.775   17.381  111.936   15.720 8.838882 23.43496 
1 1 1  -25   20   43 o  124.120   11.332   44.348   7.4316   57.508   12.125   36.430   9.4054  138.045   16.254  110.194   15.795 27.85143 22.66490 
1 1 1  -25   20   44 o  169.926   9.2684   80.942   8.3048   97.101   13.683   71.517   10.450  182.169   13.900  157.682   12.264 24.48708 18.53675 
1 1 1  -25   20   45 o   69.871   19.532   15.081   11.571   4.7725   17.187   23.626   15.648   60.016   26.620   79.725   28.589 -19.70894 39.06305 
1 1 1  -25   20   48 o  144.787   10.766   61.305   8.1898   77.816   13.688   52.098   10.221  158.385   15.993  131.190   14.418 27.19489 21.53296 
1 1 1  -25   20   49 o   61.546   16.029   14.207   7.3339   9.0311   11.509   17.746   9.5161   54.639   22.972   68.452   22.361 -13.81322 32.05855 
1 1 1  -25   21    1 o   82.399   14.798   19.742   6.6579   23.881   9.6142   15.929   9.2290   90.559   20.165   74.239   21.663 16.32050 29.59546 
1 1 1  -25   21    2 o  153.960   8.8779   64.874   7.3765   69.216   10.734   60.988   10.154  158.839   12.506  149.081   12.604 9.757065 17.75587 
1 1 1  -25   21    3 o   63.034   14.832   8.9315   6.7116  -0.5503   9.5608   18.144   9.4238   47.213   20.419   78.855   21.517 -31.64294 29.66322 
1 1 1  -25   21    4 o   90.051   14.532   23.835   6.9173   21.180   10.143   26.144   9.4579   84.972   21.939   95.131   19.063 -10.15861 29.06414 
1 1 1  -25   21    5 o  165.230   8.3506   74.529   7.4431   79.390   10.915   70.303   10.176  170.239   11.865  160.221   11.754 10.01813 16.70127 
1 1 1  -25   21    6 o   66.979   15.841   11.450   6.8673   16.840   10.352   7.2142   9.1772   76.420   23.106   57.538   21.677 18.88251 31.68270 
1 1 1  -25   21    7 o   81.979   14.891   19.661   6.6146   19.515   9.8092   19.783   8.9576   81.633   21.819   82.325   20.271 -0.6915817 29.78185 
1 1 1  -25   21    8 o   63.373   15.706   10.342   6.6374   10.490   9.6781   10.211   9.1203   63.959   22.531   62.788   21.888 1.171585 31.41253 
1 1 1  -25   21    9 o  293.161   9.0566  234.140   14.347   0.0000   0.0000  234.140   14.347  ?   ?   293.161   9.0566      ?      ? 
1 1 1  -25   21   10 o   43.266   13.706  -3.6359   6.6171  -4.7191   9.2279  -2.4893   9.4937   41.749   18.929   44.783   19.827 -3.034012 27.41232 
1 1 1  -25   21   11 o   87.719   14.324   22.248   6.7586   30.088   9.9236   15.466   9.2303  102.249   18.648   73.189   21.748 29.06061 28.64846 
1 1 1  -25   21   12 o   93.676   13.622   26.518   6.8898   12.520   9.9316   39.504   9.5660   67.828   22.866  119.524   14.811 -51.69577 27.24354 
1 1 1  -25   21   13 o   78.619   15.606   18.103   6.8985   18.788   9.9304   17.464   9.5904   79.970   22.196   77.268   21.943 2.702187 31.21139 
1 1 1  -25   21   14 o   88.619   18.531   25.369   9.1049   10.457   20.732   28.933   10.135   77.435   31.523   99.803   19.491 -22.36855 37.06221 
1 1 1  -25   21   15 o   73.729   21.433   8.0496   12.844   12.516   23.067   6.0428   15.463   81.712   33.256   65.747   27.046 15.96456 42.86592 
1 1 1  -25   21   16 o  104.971   22.340   34.522   13.208   31.149   24.114   35.968   15.787  101.437   35.578  108.506   27.027 -7.068893 44.67903 
1 1 1  -25   21   17 o  138.333   13.170   53.861   9.3387   53.455   11.516   54.640   15.959  138.529   15.384  138.137   21.380 0.3925171 26.33990 
1 1 1  -25   21   18 o   71.124   15.761   13.509   6.9841   21.291   10.635   7.6079   9.2613   84.384   22.788   57.863   21.781 26.52112 31.52264 
1 1 1  -25   21   19 f  131.859   10.190   48.388   7.2362   47.424   10.609   49.227   9.8951  130.462   15.049  133.255   13.742 -2.792511 20.37946 
1 1 1  -25   21   20 o  227.935   7.5850  141.970   9.2490  147.446   14.226  137.960   12.173  231.498   11.372  224.373   10.040 7.125549 15.16992 
1 1 1  -25   21   21 o   77.716   19.232   16.928   8.7185   11.804   20.861   18.013   9.5968   77.661   31.619   77.771   21.903 -0.1092453 38.46447 
1 1 1  -25   21   22 o  245.818   7.2034  163.906   9.4641  178.524   14.726  153.619   12.353  254.854   10.693  236.782   9.6549 18.07166 14.40679 
1 1 1  -25   21   23 o  118.058   13.840   37.684   8.3535   30.082   10.294   52.342   14.294  101.010   19.567  135.106   19.579 -34.09678 27.68051 
1 1 1  -25   21   24 o   49.846   14.642   1.0552   6.8616   7.5317   9.7118  -5.4000   9.6959   57.924   22.184   41.769   19.116 16.15474 29.28407 
1 1 1  -25   21   25 f  112.905   12.144   36.509   7.0912   46.656   10.462   27.885   9.6448  128.793   15.033   97.017   19.077 31.77632 24.28824 
1 1 1  -25   21   26 o  171.828   8.3996   82.585   7.7202   74.919   11.394   89.092   10.498  164.013   12.856  179.643   10.814 -15.62939 16.79911 
1 1 1  -25   21   27 o  189.024   10.749   98.691   10.980   0.0000   0.0000   98.691   10.980  ?   ?   189.024   10.749      ?      ? 
1 1 1  -25   21   28 o   61.168   15.440   10.143   6.4237   10.191   9.6017   10.104   8.6428   61.730   22.361   60.606   21.297 1.123615 30.88004 
1 1 1  -25   21   29 f  139.276   9.8379   55.415   7.2703   49.072   10.940   60.432   9.7297  131.392   15.409  147.160   12.236 -15.76790 19.67571 
1 1 1  -25   21   30 o   46.772   14.040  -1.1131   6.4446   7.1734   9.9020  -7.2028   8.4885   56.920   22.237   36.623   17.145 20.29730 28.07919 
1 1 1  -25   21   31 o   61.658   15.515   10.530   6.4859   11.079   9.6071   10.071   8.7918   62.944   22.419   60.372   21.453 2.571461 31.02942 
1 1 1  -25   21   32 o   60.460   14.189   9.1499   6.6028  -4.4994   10.387   18.404   8.5531   43.617   19.894   77.302   20.238 -33.68515 28.37879 
1 1 1  -25   21   33 f   58.160   14.469   4.5942   6.5691   19.399   10.355  -5.3780   8.4982   78.258   22.977   38.063   17.591 40.19522 28.93819 
1 1 1  -25   21   34 o   56.261   15.034   5.8841   6.5580   14.548   10.255  -0.1108   8.5303   68.834   23.235   43.688   19.086 25.14681 30.06888 
1 1 1  -25   21   35 o   80.981   15.450   20.135   6.8462   25.794   10.885   16.430   8.8062   89.701   22.496   72.262   21.182 17.43876 30.89924 
1 1 1  -25   21   36 o   56.738   14.658   7.1300   6.7710  -3.9373   10.374   15.345   8.9373   43.620   19.890   69.855   21.538 -26.23506 29.31688 
1 1 1  -25   21   37 o   83.290   15.366   21.714   6.9416   25.729   10.704   18.800   9.1192   89.601   22.217   76.979   21.233 12.62208 30.73189 
1 1 1  -25   21   38 o  135.172   10.822   54.833   7.5858   44.343   11.667   62.514   9.9841  121.973   17.702  148.371   12.453 -26.39798 21.64342 
1 1 1  -25   21   39 o   97.062   14.251   29.268   7.1485   33.522   11.184   26.329   9.2952  102.553   20.891   91.572   19.389 10.98111 28.50163 
1 1 1  -25   21   40 o   72.044   15.506   17.477   7.2576   7.5026   11.481   24.116   9.3665   57.339   23.413   86.748   20.335 -29.40839 31.01154 
1 1 1  -25   21   41 o   58.250   15.849   9.9330   6.9705   8.4672   11.374   10.815   8.8210   57.411   23.358   59.089   21.428 -1.677341 31.69791 
1 1 1  -25   21   42 o   68.264   16.896   15.358   7.6067   19.496   11.936   12.527   9.8710   74.094   25.066   62.434   22.664 11.65981 33.79282 
1 1 1  -25   21   43 o  184.555   12.952  104.304   12.883  114.955   18.807   94.887   17.683  193.835   17.955  175.275   18.670 18.55992 25.90336 
1 1 1  -25   21   44 o   68.773   27.892   15.374   16.159   0.0000   0.0000   15.374   16.159  ?   ?    68.773   27.892      ?      ? 
1 1 1  -25   21   46 o   55.551   24.651   6.9865   14.755   0.0000   0.0000   6.9865   14.755  ?   ?    55.551   24.651      ?      ? 
1 1 1  -25   21   47 o   54.714   15.814   6.1781   7.5894   17.057   12.169  -0.7463   9.7089   66.741   24.997   42.688   19.378 24.05305 31.62883 
1 1 1  -25   21   48 o   43.942   14.047   0.6861   7.2880  -4.2155   10.923   4.6190   9.7843   40.689   19.174   47.196   20.533 -6.506401 28.09396 
1 1 1  -25   22    1 o   66.120   15.376   11.992   6.5420   7.8147   9.4876   15.778   9.0328   58.737   22.058   73.504   21.426 -14.76690 30.75116 
1 1 1  -25   22    2 o   50.764   14.821   2.7585   6.5945   3.5212   9.5828   2.0723   9.0889   52.306   21.378   49.223   20.535 3.082924 29.64299 
1 1 1  -25   22    4 o  126.383   10.594   44.453   7.2011   42.826   10.586   45.853   9.8240  124.038   15.795  128.727   14.123 -4.688896 21.18793 
1 1 1  -25   22    5 o  148.383   9.3309   59.736   7.3771   75.755   11.178   47.373   9.8195  165.881   12.470  130.885   13.884 34.99551 18.66173 
1 1 1  -25   22    6 o  206.929   7.7714  117.064   8.6026  119.856   13.195  114.999   11.345  208.869   11.691  204.989   10.242 3.880386 15.54274 
1 1 1  -25   22    7 o   87.151   14.225   22.245   6.6544   29.117   9.6570   16.032   9.1825  100.284   18.502   74.019   21.611 26.26524 28.44933 
1 1 1  -25   22    8 o  108.592   12.235   33.709   6.9602   30.155   10.046   36.990   9.6523  101.917   18.938  115.267   15.497 -13.35014 24.47055 
1 1 1  -25   22    9 o  194.703   7.7848  104.008   8.1690  104.246   11.997  103.802   11.154  194.803   11.397  194.603   10.607 0.2002106 15.56957 
1 1 1  -25   22   10 o  182.600   8.0413   91.617   7.9252   91.557   11.483   91.671   10.951  182.469   11.647  182.731   11.091 -0.2618713 16.08251 
1 1 1  -25   22   11 o   51.155   14.941   2.4444   6.7829   5.7378   9.8700  -0.5029   9.3370   55.930   22.094   46.381   20.119 9.548237 29.88136 
1 1 1  -25   22   12 o  106.976   17.902   22.424   9.5077   67.320   20.902   10.711   10.676  149.003   26.952   64.948   23.571 84.05568 35.80458 
1 1 1  -25   22   13 o   83.621   20.402   17.936   13.362  -9.3423   22.052   33.761   16.796   63.084   28.855  104.159   28.851 -41.07495 40.80437 
1 1 1  -25   22   14 o   98.174   21.833   30.163   12.622   26.644   22.189   31.847   15.346   94.782   34.038  101.566   27.352 -6.784271 43.66611 
1 1 1  -25   22   15 o  105.227   16.452   35.431   8.8122   40.425   10.705   24.932   15.521  120.019   16.506   90.434   28.466 29.58546 32.90496 
1 1 1  -25   22   16 o  122.828   11.094   42.088   7.2064   54.399   10.599   31.505   9.8275  139.915   14.019  105.741   17.199 34.17474 22.18888 
1 1 1  -25   22   17 o   98.712   13.554   29.106   6.9825   20.437   10.135   36.939   9.6334   82.535   22.229  114.888   15.517 -32.35336 27.10891 
1 1 1  -25   22   18 o  169.012   9.0256   79.078   8.2190   79.585   12.107   78.646   11.193  169.361   13.229  168.665   12.281 0.6960602 18.05128 
1 1 1  -25   22   19 o   72.798   15.670   14.976   6.8573   21.271   10.369   10.083   9.1418   83.887   22.438   61.708   21.881 22.17886 31.34045 
1 1 1  -25   22   20 o  116.599   11.511   38.574   7.2022   36.404   10.627   40.417   9.7942  113.201   17.374  119.997   15.105 -6.796082 23.02171 
1 1 1  -25   22   21 o   43.561   13.877  -5.1652   7.2088 -13.3387   10.941   1.1047   9.5828   38.678   18.500   48.444   20.688 -9.765648 27.75351 
1 1 1  -25   22   22 o  226.794   11.238  146.931   11.157  142.613   24.079  148.112   12.591  221.608   20.108  231.980   10.044 -10.37216 22.47695 
1 1 1  -25   22   23 o   78.787   13.634   15.820   7.1800   34.751   10.666   0.1305   9.7097  110.125   17.923   47.448   20.549 62.67678 27.26714 
1 1 1  -25   22   24 o   82.166   18.213   20.562   8.6893   19.841   10.696   21.962   14.902   80.320   23.287   84.012   28.009 -3.691948 36.42536 
1 1 1  -25   22   25 o   46.876   14.355  -2.1949   6.9782   5.7170   10.427  -8.6140   9.3916   55.802   22.484   37.950   17.852 17.85172 28.70932 
1 1 1  -25   22   26 o  102.057   13.064   30.528   6.9900   31.581   10.646   29.730   9.2672  102.339   19.968  101.775   16.851 0.5644608 26.12831 
1 1 1  -25   22   27 o   80.591   15.496   19.839   6.8684   22.181   10.563   18.123   9.0403   84.358   22.682   76.825   21.121 7.533203 30.99292 
1 1 1  -25   22   28 o  121.978   11.324   43.245   7.2786   38.573   11.202   46.659   9.5755  115.302   17.979  128.653   13.774 -13.35113 22.64828 
1 1 1  -25   22   29 f  136.965   10.357   53.653   7.5316   51.211   11.612   55.426   9.8951  133.559   16.090  140.370   13.045 -6.810944 20.71405 
1 1 1  -25   22   30 o  130.357   10.555   47.670   7.3097   61.507   11.082   37.012   9.7256  147.270   13.925  113.444   15.865 33.82526 21.10962 
1 1 1  -25   22   31 o  124.785   11.955   47.147   7.5229   37.478   11.464   54.459   9.9697  110.851   19.869  138.720   13.300 -27.86839 23.90944 
1 1 1  -25   22   32 o   74.181   14.976   17.484   7.1776   5.4177   10.878   26.789   9.5522   55.068   22.673   93.294   19.572 -38.22580 29.95236 
1 1 1  -25   22   33 o   52.504   15.138   4.4827   6.8114   8.6297   10.314   1.2746   9.0712   58.620   22.752   46.388   19.976 12.23200 30.27656 
1 1 1  -25   22   34 o   60.948   15.690   8.6146   6.9741   17.613   10.942   2.4575   9.0510   74.043   23.965   47.852   20.258 26.19106 31.38019 
1 1 1  -25   22   35 o   95.504   14.239   27.086   7.2545   38.532   11.308   19.079   9.4573  113.721   18.401   77.286   21.735 36.43452 28.47850 
1 1 1  -25   22   36 o  170.756   8.9044   84.756   8.0034   71.402   12.079   95.205   10.686  157.323   14.209  184.188   10.736 -26.86476 17.80877 
1 1 1  -25   22   37 o   78.345   14.934   20.728   7.1672   9.1395   10.920   29.500   9.4999   59.171   23.282   97.518   18.709 -38.34629 29.86733 
1 1 1  -25   22   38 o   94.885   14.558   30.302   7.4499   18.804   11.308   39.120   9.9028   74.680   24.375  115.090   15.923 -40.40968 29.11530 
1 1 1  -25   22   39 o   90.318   13.077   22.784   6.9956   50.985   11.348   5.4978   8.8846  130.234   16.125   50.401   20.590 79.83266 26.15326 
1 1 1  -25   22   40 o   51.918   15.381   4.2977   7.1901   9.8244   11.412   0.6597   9.2590   59.132   23.630   44.704   19.697 14.42780 30.76252 
1 1 1  -25   22   41 o   69.105   18.859   15.812   9.9910   16.928   14.030   14.664   14.231   70.560   26.750   67.651   26.591 2.909004 37.71791 
1 1 1  -25   22   42 o  106.785   17.705   38.516   11.395   16.601   15.130   67.230   17.319   70.157   27.466  143.413   22.349 -73.25590 35.40973 
1 1 1  -25   22   44 o   65.773   26.944   18.016   15.265   0.0000   0.0000   18.016   15.265  ?   ?    65.773   26.944      ?      ? 
1 1 1  -25   22   45 o   54.632   16.822   4.2467   9.0259  -1.8814   11.235   15.403   15.159   44.411   20.417   64.853   26.741 -20.44235 33.64408 
1 1 1  -25   22   46 o  115.617   14.357   48.025   8.4018   36.342   12.558   57.492   11.305   96.341   24.165  134.892   15.509 -38.55180 28.71328 
1 1 1  -25   23    1 o  252.860   9.9024  175.187   13.530   0.0000   0.0000  175.187   13.530  ?   ?   252.860   9.9024      ?      ? 
1 1 1  -25   23    2 o   53.214   14.746   2.7896   6.7681   11.402   9.7559  -5.2013   9.3971   65.017   22.639   41.411   18.901 23.60581 29.49233 
1 1 1  -25   23    3 f   73.882   21.938   16.095   9.3945   0.0000   0.0000   16.095   9.3945  ?   ?    73.882   21.938      ?      ? 
1 1 1  -25   23    4 o  114.287   11.438   36.629   7.0334   32.458   9.8287   41.007   10.069  107.417   16.933  121.157   15.380 -13.73994 22.87522 
1 1 1  -25   23    5 o  162.456   9.0102   73.319   7.8665   68.381   11.475   77.697   10.805  157.037   13.522  167.875   11.911 -10.83861 18.02032 
1 1 1  -25   23    6 o  162.277   8.7175   72.687   7.6378   73.297   11.049   72.128   10.570  162.865   12.555  161.689   12.097 1.175461 17.43503 
1 1 1  -25   23    7 o   62.782   14.739   8.4291   6.7583  -1.7566   9.3796   19.427   9.7464   44.919   19.807   80.645   21.831 -35.72590 29.47707 
1 1 1  -25   23    8 o  104.375   12.778   31.371   7.0016   35.640   9.9437   27.174   9.8604  112.675   16.332   96.076   19.656 16.59940 25.55511 
1 1 1  -25   23    9 o  117.800   16.157   38.941   10.285   38.941   10.285   0.0000   0.0000  117.800   16.157  ?   ?       ?      ? 
1 1 1  -25   23   10 o   95.118   16.883   34.471   9.4832  -4.4257   22.520   42.856   10.455   66.541   29.924  123.693   15.643 -57.15201 33.76559 
1 1 1  -25   23   11 o  144.687   18.848   65.146   13.502   58.131   22.876   68.896   16.726  134.339   31.974  155.035   19.966 -20.69630 37.69579 
1 1 1  -25   23   12 o  140.074   20.463   60.944   14.583   60.315   24.611   61.284   18.104  135.483   33.744  144.665   23.159 -9.182480 40.92619 
1 1 1  -25   23   13 o   95.010   15.293   34.157   8.8168   46.677   10.266  -1.0261   17.210  129.210   14.704   60.810   26.821 68.40042 30.58676 
1 1 1  -25   23   14 o   93.172   13.608   25.322   7.0107   42.731   10.366   10.648   9.5172  123.294   15.560   63.051   22.329 60.24286 27.21562 
1 1 1  -25   23   15 o   63.910   15.460   9.3511   7.0887   19.107   10.382   0.8294   9.7028   79.391   22.921   48.430   20.753 30.96085 30.92037 
1 1 1  -25   23   16 o  141.694   10.272   56.355   7.8555   54.649   11.264   57.971   10.961  139.451   14.948  143.936   14.092 -4.484985 20.54370 
1 1 1  -25   23   17 o   64.485   14.670   9.3329   7.0920  -4.0803   10.210   21.837   9.8582   44.170   19.979   84.800   21.488 -40.62925 29.34084 
1 1 1  -25   23   18 o   63.402   16.049   10.820   7.0148   8.6794   10.527   12.530   9.4078   60.659   23.129   66.146   22.255 -5.487320 32.09708 
1 1 1  -25   23   19 f   79.445   15.442   19.250   6.8273   18.592   10.105   19.803   9.2605   78.090   22.634   80.800   21.012 -2.710114 30.88384 
1 1 1  -25   23   20 o  188.192   8.4804   99.098   8.5573   88.694   12.400  108.558   11.824  178.301   12.870  198.084   11.047 -19.78311 16.96079 
1 1 1  -25   23   21 o   83.758   15.420   21.581   7.0493   20.859   10.124   22.261   9.8215   82.265   22.241   85.251   21.363 -2.985909 30.83915 
1 1 1  -25   23   22 o  100.401   14.275   31.658   7.4698   21.482   11.282   39.602   9.9678   82.829   23.888  117.973   15.636 -35.14371 28.55074 
1 1 1  -25   23   23 o  109.607   18.894   41.852   9.5972   30.045   22.737   44.411   10.587   94.377   34.376  124.836   15.694 -30.45965 37.78846 
1 1 1  -25   23   24 o   83.853   15.984   21.975   7.5353   17.090   10.734   26.722   10.580   74.544   23.696   93.162   21.459 -18.61781 31.96874 
1 1 1  -25   23   25 o  127.921   15.573   54.252   9.3891   62.997   11.573   37.410   16.060  149.182   14.356  106.660   27.640 42.52153 31.14568 
1 1 1  -25   23   26 f   49.726   14.248  -3.4292   6.9999   13.027   10.660 -15.9044   9.2813   66.900   23.638   32.553   15.913 34.34653 28.49516 
1 1 1  -25   23   27 o   46.997   14.588  -1.1960   7.1069   3.3876   10.920  -4.5640   9.3606   52.945   22.324   41.049   18.785 11.89584 29.17599 
1 1 1  -25   23   28 o  173.232   8.9861   85.749   8.2276   77.751   12.648   91.616   10.833  165.263   14.163  181.202   11.063 -15.93893 17.97211 
1 1 1  -25   23   29 o   59.163   15.609   7.2953   7.1071   16.307   10.806   0.4248   9.4351   72.044   23.843   46.283   20.150 25.76155 31.21715 
1 1 1  -25   23   30 o  173.497   8.7070   86.430   8.0024   72.707   11.833   97.995   10.863  159.691   13.713  187.303   10.733 -27.61230 17.41399 
1 1 1  -25   23   31 o   53.210   15.574   4.8832   7.2464   2.8806   11.648   6.1476   9.2557   52.997   22.725   53.423   21.303 -0.4260445 31.14839 
1 1 1  -25   23   32 o  164.230   9.1388   74.815   7.9304   84.550   12.901   68.901   10.055  172.033   13.877  156.428   11.895 15.60478 18.27767 
1 1 1  -25   23   33 o   65.415   16.324   12.871   7.1505   14.909   10.809   11.286   9.5349   68.873   23.839   61.957   22.306 6.915878 32.64754 
1 1 1  -25   23   34 o   51.123   15.400   2.9895   7.4304   5.8071   11.311   0.8506   9.8551   55.273   22.971   46.974   20.518 8.298698 30.80031 
1 1 1  -25   23   35 o   69.228   14.854   14.694   7.0686   2.6618   10.399   25.029   9.6372   49.982   21.453   88.474   20.551 -38.49173 29.70835 
1 1 1  -25   23   36 o  124.773   12.392   46.021   7.8164   66.161   12.026   31.288   10.285  150.327   14.804   99.220   19.877 51.10661 24.78388 
1 1 1  -25   23   37 o   40.758   13.403  -5.2144   7.1576  -8.1516   10.847  -2.9487   9.5263   40.020   18.934   41.496   18.975 -1.476231 26.80592 
1 1 1  -25   23   38 o   83.878   16.378   24.582   7.7811   20.419   11.442   28.164   10.613   76.058   24.496   91.699   21.747 -15.64164 32.75621 
1 1 1  -25   23   39 o   47.036   15.520  -7.5582   9.8634  -0.3944   13.979 -14.6599   13.919   51.844   23.421   42.228   20.369 9.615692 31.03918 
1 1 1  -25   23   40 o  131.051   16.042   56.854   11.104   54.955   15.880   58.671   15.532  127.104   24.001  134.998   21.292 -7.894249 32.08362 
1 1 1  -25   23   41 o   41.340   20.430 -23.2883   16.703   0.0000   0.0000 -23.2883   16.703  ?   ?    41.340   20.430      ?      ? 
1 1 1  -25   23   42 o   38.889   19.112 -17.0473   13.948   0.0000   0.0000 -17.0473   13.948  ?   ?    38.889   19.112      ?      ? 
1 1 1  -25   23   43 o   95.970   19.685   42.012   12.613   21.126   20.326   55.090   16.084   70.557   30.131  121.383   25.340 -50.82645 39.36951 
1 1 1  -25   23   44 o  100.469   14.924   35.526   8.1893   54.701   12.411   20.740   10.899  128.945   17.812   71.993   23.951 56.95118 29.84817 
1 1 1  -25   24    1 o   81.334   15.753   20.104   7.1361   18.784   10.043   21.450   10.142   78.686   22.493   83.982   22.062 -5.295929 31.50656 
1 1 1  -25   24    2 o  188.394   8.3851   98.127   8.5284  102.642   12.382   94.052   11.763  192.492   11.904  184.296   11.812 8.195816 16.77013 
1 1 1  -25   24    3 o  146.201   14.450   59.899   11.416   59.899   11.416   0.0000   0.0000  146.201   14.450  ?   ?       ?      ? 
1 1 1  -25   24    4 f   71.027   15.490   14.392   6.8279   8.4683   9.4168   20.959   9.9146   58.954   22.007   83.100   21.806 -24.14612 30.98080 
1 1 1  -25   24    5 o   90.176   14.584   23.726   7.3956   36.249   10.906   13.066   10.062  112.639   17.919   67.713   23.015 44.92610 29.16775 
1 1 1  -25   24    6 o  182.967   12.030   92.804   11.894   92.804   11.894   0.0000   0.0000  182.967   12.030  ?   ?       ?      ? 
1 1 1  -25   24    7 o   42.918   13.686  -4.0441   6.7714  -1.0902   9.6570  -6.9012   9.4974   45.994   20.195   39.841   18.478 6.153271 27.37265 
1 1 1  -25   24    8 o   80.072   22.787   12.684   14.125   25.923   25.666   6.9324   16.918   93.028   35.951   67.115   28.009 25.91254 45.57391 
1 1 1  -25   24    9 o   96.575   22.826   31.295   15.126   11.680   26.382   40.901   18.462   81.108   34.474  112.042   29.927 -30.93439 45.65147 
1 1 1  -25   24   10 o   96.524   23.214   27.248   14.289   43.784   23.835   17.971   17.853  112.834   35.236   80.214   30.231 32.61966 46.42730 
1 1 1  -25   24   11 o   48.727   14.504   0.2513   6.8553   6.8245   9.7393  -6.2034   9.6510   56.647   22.075   40.808   18.820 15.83839 29.00862 
1 1 1  -25   24   12 o  117.311   16.141   39.006   10.232   0.0000   0.0000   39.006   10.232  ?   ?   117.311   16.141      ?      ? 
1 1 1  -25   24   13 o  212.456   7.7158  125.005   8.8329  120.078   12.818  129.460   12.189  208.249   11.390  216.663   10.411 -8.413971 15.43158 
1 1 1  -25   24   14 o   76.141   14.732   16.485   7.0463   28.938   10.200   5.1153   9.7457   98.303   19.885   53.979   21.742 44.32343 29.46391 
1 1 1  -25   24   15 o   72.721   15.940   15.829   7.0042   19.365   10.016   12.444   9.7986   79.431   22.378   66.011   22.706 13.41983 31.88006 
1 1 1  -25   24   16 o   87.451   15.432   23.491   7.2920   26.381   10.460   20.758   10.171   92.900   21.292   82.001   22.345 10.89890 30.86470 
1 1 1  -25   24   17 o  108.492   12.647   34.004   7.4132   34.245   10.584   33.771   10.386  108.826   17.999  108.158   17.771 0.6672897 25.29362 
1 1 1  -25   24   18 o   96.937   14.096   28.068   7.2725   35.902   10.558   20.995   10.032  111.551   17.516   82.324   22.091 29.22717 28.19243 
1 1 1  -25   24   19 o   89.543   15.107   24.678   7.2132   26.246   10.264   23.147   10.140   92.553   21.003   86.533   21.718 6.019531 30.21309 
1 1 1  -25   24   20 o   35.364   12.038 -13.5416   6.8063  -8.9051   9.8423 -17.7911   9.4225   38.763   18.247   31.965   15.709 6.798580 24.07697 
1 1 1  -25   24   21 o  101.879   13.834   31.242   7.3785   43.026   10.706   20.582   10.183  122.534   16.169   81.224   22.452 41.30974 27.66796 
1 1 1  -25   24   22 o  142.855   10.421   57.480   8.0043   64.314   12.055   52.092   10.704  150.324   14.841  135.385   14.632 14.93950 20.84104 
1 1 1  -25   24   23 o   50.383   14.319  -1.4387   7.2517 -16.6553   10.458   12.653   10.064   35.046   17.079   65.721   22.988 -30.67491 28.63807 
1 1 1  -25   24   24 o  112.948   19.930   43.267   9.9867   40.068   25.225   43.862   10.875  102.733   36.356  123.164   16.341 -20.43105 39.85916 
1 1 1  -25   24   25 o   37.533   18.167 -15.5859   11.309 -15.5859   11.309   0.0000   0.0000   37.533   18.167  ?   ?       ?      ? 
1 1 1  -25   24   26 o   67.072   17.565   12.720   9.1100   18.955   11.377   1.5804   15.207   76.710   24.397   57.434   25.277 19.27581 35.13028 
1 1 1  -25   24   27 o   66.718   16.797   13.268   7.5894   15.182   11.421   11.754   10.156   69.919   24.487   63.517   22.999 6.401253 33.59405 
1 1 1  -25   24   28 o   58.231   14.872   5.8068   7.4390  -9.5738   11.073   18.459   10.043   40.634   19.196   75.827   22.721 -35.19307 29.74417 
1 1 1  -25   24   29 o   48.937   14.678   0.8383   7.2349  -7.7593   10.894   7.6220   9.6770   41.585   19.454   56.289   21.985 -14.70440 29.35623 
1 1 1  -25   24   30 o   71.213   14.042   14.245   7.4365  -5.3053   11.126   30.030   9.9976   43.917   20.238   98.508   19.472 -54.59092 28.08430 
1 1 1  -25   24   31 o   41.022   13.375  -7.6456   7.0148   1.3811   10.623 -14.6252   9.3410   49.046   21.366   32.998   16.094 16.04779 26.74939 
1 1 1  -25   24   32 o   49.686   15.104   1.8858   7.2955   5.8472   11.119  -1.1091   9.6676   54.973   22.804   44.398   19.812 10.57411 30.20822 
1 1 1  -25   24   33 o   62.503   13.412   0.4403   7.5026   29.278   11.095 -23.8578   10.184   94.568   22.107   30.438   15.192 64.13065 26.82436 
1 1 1  -25   24   34 o   79.025   16.493   21.243   7.5163   24.471   11.250   18.640   10.102   84.061   23.729   73.988   22.912 10.07284 32.98525 
1 1 1  -25   24   35 o   58.777   15.657   7.0018   7.6803   20.098   11.401  -3.8803   10.392   75.180   24.472   42.375   19.538 32.80479 31.31468 
1 1 1  -25   24   36 o   55.841   17.034   0.4402   9.2851  -8.0768   11.482   16.532   15.783   41.523   19.595   70.159   27.867 -28.63535 34.06709 
1 1 1  -25   24   37 o  158.310   13.962   76.949   11.826   67.185   15.476   90.653   18.334  146.721   19.519  169.899   19.970 -23.17844 27.92470 
1 1 1  -25   24   38 o   41.402   14.127 -23.0635   10.166  -0.8475   13.904 -48.5811   14.901   50.922   23.144   31.882   16.204 19.03991 28.25336 
1 1 1  -25   24   39 o   53.968   17.083   4.2322   10.384  -1.9610   14.354   11.034   15.042   48.344   22.521   59.591   25.692 -11.24676 34.16516 
1 1 1  -25   24   40 o   52.511   17.169   1.4000   11.851 -14.0225   21.141   8.4662   14.310   49.000   23.966   56.021   24.591 -7.020779 34.33777 
1 1 1  -25   24   41 f   46.170   15.815 -12.8240   12.091 -19.5203   19.507  -8.6464   15.408   46.300   22.723   46.040   22.003 0.2599792 31.62987 
1 1 1  -25   24   42 o   50.147   15.527   4.1595   8.3559  -3.0292   12.000   10.926   11.642   43.594   20.401   56.700   23.413 -13.10626 31.05410 
1 1 1  -25   25    1 o   89.270   13.872   24.191   7.0561   10.263   9.8926   38.616   10.067   62.093   22.666  116.448   15.999 -54.35472 27.74360 
1 1 1  -25   25    2 o   73.987   15.596   16.554   6.7034   14.669   9.1144   18.774   9.8934   69.852   21.785   78.121   22.322 -8.269562 31.19130 
1 1 1  -25   25    3 o   91.977   14.300   25.558   6.9159   23.330   9.5818   27.981   9.9923   87.548   20.598   96.407   19.842 -8.859344 28.60073 
1 1 1  -25   25    4 o   53.070   15.188   4.1918   7.0124  -1.0995   10.440   8.5410   9.4653   47.445   20.910   58.695   22.034 -11.25025 30.37602 
1 1 1  -25   25    5 o  119.298   20.392   48.607   10.399   40.180   27.067   50.066   11.263  105.879   37.639  132.717   15.705 -26.83882 40.78418 
1 1 1  -25   25    6 o   68.935   21.561   2.9397   15.239  -2.4527   26.857   5.5000   18.506   70.922   32.208   66.949   28.674 3.972527 43.12288 
1 1 1  -25   25    7 o   89.137   22.545   26.045   14.980   4.0743   27.338   35.473   17.908   75.282   33.473  102.993   30.212 -27.71143 45.09073 
1 1 1  -25   25    8 o  180.384   11.729   87.532   10.471   79.808   12.309  107.748   19.914  168.569   13.514  192.200   19.175 -23.63052 23.45809 
1 1 1  -25   25    9 o   62.719   15.716   9.8476   7.2399   17.065   10.010   1.9308   10.484   74.568   22.760   50.869   21.679 23.69907 31.43267 
1 1 1  -25   25   10 o   43.141   13.779  -3.6721   6.8259  -1.7318   10.071  -5.3211   9.2838   45.857   20.356   40.425   18.576 5.432686 27.55781 
1 1 1  -25   25   11 o   71.400   15.363   13.995   7.1870   25.120   10.534   4.3062   9.8305   90.148   21.852   52.652   21.601 37.49553 30.72677 
1 1 1  -25   25   12 o  174.682   8.7369   85.482   8.2190   81.343   11.925   89.227   11.344  170.358   12.954  179.006   11.728 -8.648132 17.47384 
1 1 1  -25   25   13 o  105.378   13.362   32.623   7.4394   35.906   10.973   29.830   10.120  111.207   18.261   99.548   19.511 11.65884 26.72312 
1 1 1  -25   25   14 o   90.917   14.551   24.435   6.9994   33.439   10.839   17.994   9.1671  105.371   19.762   76.463   21.362 28.90855 29.10138 
1 1 1  -25   25   15 f   67.220   14.931   10.699   7.1538   24.488   10.514  -1.1865   9.7615   88.779   22.023   45.660   20.166 43.11893 29.86118 
1 1 1  -25   25   16 o   41.116   13.336  -5.5810   6.7728  -2.2196   9.7425  -8.7249   9.4220   44.459   19.860   37.773   17.802 6.686317 26.67113 
1 1 1  -25   25   17 o   66.050   14.466   10.156   6.9459   24.325   10.076  -2.6727   9.5877   88.543   21.316   43.557   19.562 44.98551 28.93175 
1 1 1  -25   25   18 o  105.639   13.437   33.588   7.2891   49.856   10.733   19.661   9.9305  132.141   15.031   79.138   22.278 53.00278 26.87464 
1 1 1  -25   25   19 o   60.864   14.781   7.2316   7.0692   20.186   10.125  -5.0891   9.8743   79.947   22.492   41.781   19.184 38.16558 29.56158 
1 1 1  -25   25   20 o   76.969   15.680   17.957   7.4838   28.319   10.799   8.3840   10.380   95.156   21.508   58.781   22.822 36.37453 31.36006 
1 1 1  -25   25   21 o   53.666   15.432   5.0125   7.1390   1.5493   10.189   8.3518   10.005   49.182   21.175   58.150   22.454 -8.968163 30.86333 
1 1 1  -25   25   22 o   55.150   15.774   5.7353   7.4053   2.2369   10.492   9.2075   10.453   50.457   21.600   59.844   22.993 -9.386978 31.54716 
1 1 1  -25   25   23 o  143.440   10.243   58.388   7.8847   68.782   11.792   49.981   10.604  155.101   14.069  131.779   14.892 23.32207 20.48659 
1 1 1  -25   25   24 f   80.944   23.265   21.264   10.717   0.0000   0.0000   21.264   10.717  ?   ?    80.944   23.265      ?      ? 
1 1 1  -25   25   25 o  101.185   18.106   39.807   9.7459   17.462   22.542   44.944   10.808   78.089   32.438  124.281   16.094 -46.19202 36.21130 
1 1 1  -25   25   26 o  118.120   12.953   41.550   8.2551   40.253   11.854   42.771   11.502  115.968   18.917  120.272   17.699 -4.304016 25.90557 
1 1 1  -25   25   27 o   69.442   18.165   14.528   8.7417   13.430   10.858   16.550   14.737   66.298   23.811   72.586   27.440 -6.287422 36.33057 
1 1 1  -25   25   28 o   43.553   14.077  -3.8014   7.3559  -2.8192   11.029  -4.5883   9.8724   45.567   20.673   41.539   19.113 4.027988 28.15443 
1 1 1  -25   25   29 o   95.599   14.942   29.788   7.6737   23.072   11.443   35.276   10.344   82.717   24.118  108.482   17.646 -25.76525 29.88418 
1 1 1  -25   25   30 o   53.056   15.805   3.3794   7.8088   9.7009   11.918  -1.3758   10.337   60.728   24.186   45.385   20.352 15.34204 31.60983 
1 1 1  -25   25   31 o   43.729   14.243  -4.7727   7.9243 -10.2385   11.856  -0.3593   10.654   40.930   19.489   46.527   20.777 -5.597332 28.48660 
1 1 1  -25   25   32 o   74.769   16.636   18.797   7.8797   27.780   11.664   11.254   10.688   88.979   23.796   60.559   23.254 28.41944 33.27121 
1 1 1  -25   25   33 o  141.728   14.429   59.223   10.356   43.188   12.816   89.392   17.578  114.576   21.489  168.881   19.262 -54.30524 28.85844 
1 1 1  -25   25   34 o   53.529   17.132  -0.7504   10.837   4.6419   14.451  -7.6779   16.380   56.876   24.845   50.182   23.596 6.694706 34.26415 
1 1 1  -25   25   35 o  100.642   20.033   37.839   11.263   37.207   14.692   38.739   17.540  101.653   26.483   99.631   30.066 2.022278 40.06610 
1 1 1  -25   25   36 o   54.880   17.016   1.8863   10.663   13.568   13.904 -14.7996   16.617   64.222   25.934   45.538   22.036 18.68452 34.03166 
1 1 1  -25   25   37 o   44.434   14.740  -3.8050   8.6392   1.3941   13.903  -7.0752   11.026   49.487   22.737   39.382   18.763 10.10498 29.47913 
1 1 1  -25   25   38 o   49.478   16.741  -7.0363   12.049  -1.3205   20.004 -10.2905   15.094   54.515   25.768   44.441   21.380 10.07400 33.48245 
1 1 1  -25   25   39 o   72.013   20.066   16.179   12.214   41.892   19.855   0.5234   15.493   92.369   32.289   51.658   23.832 40.71062 40.13176 
1 1 1  -25   25   40 o   45.563   15.532  -9.3198   11.733 -29.8198   21.068  -0.1017   14.127   43.066   21.549   48.060   22.373 -4.993580 31.06308 
1 1 1  -25   26    1 o   89.809   14.447   24.969   7.1110   32.053   9.8221   17.166   10.309  105.232   17.273   74.387   23.164 30.84499 28.89480 
1 1 1  -25   26    2 o   45.544   15.834 -14.1943   9.3970 -37.7252   25.474 -10.4879   10.110   52.916   25.969   38.172   18.124 14.74429 31.66800 
1 1 1  -25   26    3 o  108.124   22.298   42.975   15.146   22.261   24.541   55.721   19.250   86.072   34.561  130.177   28.183 -44.10463 44.59505 
1 1 1  -25   26    4 o   70.497   21.106  -6.1706   15.452   30.045   24.276 -30.8333   20.033   93.606   35.258   47.388   23.209 46.21853 42.21136 
1 1 1  -25   26    5 o   84.959   23.255   22.578   15.284   14.480   26.245   26.734   18.802   80.470   34.298   89.447   31.413 -8.977135 46.50934 
1 1 1  -25   26    6 o   57.516   15.955   7.4272   7.2320   8.4279   9.6605   6.1513   10.908   58.335   22.177   56.696   22.944 1.639015 31.90990 
1 1 1  -25   26    7 o   57.999   15.266   5.7678   6.9552  -2.0614   9.1819   16.308   10.654   43.257   19.305   72.742   23.655 -29.48536 30.53260 
1 1 1  -25   26    8 o  107.960   13.051   34.462   7.4391   31.665   10.347   37.456   10.703  102.333   19.422  113.587   17.438 -11.25340 26.10133 
1 1 1  -25   26    9 o   57.813   15.994   7.5485   7.3229   9.7708   10.056   5.0397   10.685   60.872   22.738   54.754   22.499 6.117809 31.98785 
1 1 1  -25   26   10 o   47.692   14.433  -0.0087   6.9127  -5.9842   9.7680   5.9864   9.7841   40.796   18.856   54.588   21.856 -13.79262 28.86610 
1 1 1  -25   26   11 o   88.570   14.985   24.334   7.2210   17.208   9.9735   32.184   10.468   74.185   22.732  102.956   19.531 -28.77122 29.97022 
1 1 1  -25   26   12 o   51.789   14.556   2.9366   6.5758  -4.2200   8.9127   11.486   9.7417   40.248   18.385   63.330   22.573 -23.08170 29.11283 
1 1 1  -25   26   13 o   65.402   15.207   11.039   7.1022   0.7963   9.9457   21.696   10.145   47.944   20.780   82.860   22.208 -34.91583 30.41378 
1 1 1  -25   26   14 o  128.115   10.809   47.041   7.3716   57.993   10.740   37.285   10.137  142.846   13.914  113.384   16.544 29.46161 21.61707 
1 1 1  -25   26   15 o  133.359   10.647   50.941   7.6655   53.670   11.111   48.462   10.589  136.773   15.034  129.945   15.080 6.827591 21.29383 
1 1 1  -25   26   16 o  113.400   12.702   38.218   7.5475   44.287   10.894   32.615   10.467  123.508   16.323  103.291   19.467 20.21705 25.40430 
1 1 1  -25   26   17 o   47.056   14.226  -0.4469   6.9105  -8.7125   10.077   6.8900   9.4944   39.058   18.409   55.055   21.694 -15.99675 28.45231 
1 1 1  -25   26   18 o   55.913   14.057   1.0480   7.0839   19.693   10.253 -15.9810   9.7986   78.242   22.834   33.584   16.403 44.65737 28.11449 
1 1 1  -25   26   19 o   62.432   14.999   8.4239   7.1036   21.585   10.459  -2.8459   9.6783   81.746   22.811   43.119   19.482 38.62693 29.99846 
1 1 1  -25   26   20 o   71.357   15.071   15.403   6.9409   5.9688   9.8360   24.760   9.7959   54.033   21.815   88.680   20.802 -34.64718 30.14289 
1 1 1  -25   26   21 o   50.506   15.155   2.3562   7.3642  -2.1776   10.836   6.2475   10.039   46.263   20.785   54.750   22.062 -8.487354 30.31065 
1 1 1  -25   26   22 o  164.493   9.6216   76.041   8.4813   90.717   12.868   64.770   11.277  178.482   13.343  150.504   13.866 27.97786 19.24324 
1 1 1  -25   26   23 o   93.643   14.978   27.134   8.0737   44.573   12.003   12.723   10.911  122.119   18.189   65.167   23.801 56.95180 29.95577 
1 1 1  -25   26   24 o   42.820   14.002  -5.7088   7.6556  -8.2152   10.741  -3.1209   10.914   40.544   19.078   45.096   20.500 -4.551472 28.00388 
1 1 1  -25   26   25 o   53.144   14.043  -3.6300   7.7311 -29.7949   11.372   18.854   10.542   30.890   15.509   75.398   23.415 -44.50818 28.08592 
1 1 1  -25   26   26 o  107.254   19.826   41.952   10.289   37.815   24.640   42.825   11.324   94.943   35.568  119.565   17.527 -24.62236 39.65218 
1 1 1  -25   26   27 o   70.491   16.369   15.551   8.2448   3.3756   12.151   25.941   11.224   53.210   23.016   87.772   23.283 -34.56145 32.73854 
1 1 1  -25   26   28 o  111.758   17.400   44.705   10.171   49.474   12.858   36.734   16.623  126.094   18.871   97.422   29.240 28.67276 34.80070 
1 1 1  -25   26   29 o   38.240   13.091 -14.3504   8.2667  -9.3524   12.143 -18.6681   11.286   41.707   19.820   34.772   17.109 6.935669 26.18254 
1 1 1  -25   26   30 o   45.172   15.122  -9.4157   9.5263 -13.0536   12.303  -3.9685   15.054   39.930   19.233   50.415   23.340 -10.48420 30.24343 
1 1 1  -25   26   31 o   52.013   16.560  -3.2324   10.485   8.2590   14.177 -17.1104   15.579   60.194   25.411   43.833   21.242 16.36160 33.12022 
1 1 1  -25   26   32 o   79.378   18.995   19.431   10.738   5.2275   14.095   39.077   16.577   57.051   24.733  101.705   28.837 -44.65355 37.99090 
1 1 1  -25   26   33 o   47.392   15.696 -10.5774   10.284 -23.0180   13.781   5.0563   15.448   37.572   18.565   57.211   25.313 -19.63967 31.39150 
1 1 1  -25   26   34 f   83.286   18.621   28.278   9.2029   31.667   14.953   26.213   11.676   84.893   28.046   81.680   24.504 3.213463 37.24239 
1 1 1  -25   26   35 o   51.361   15.734   5.4792   8.1111   9.9373   11.909   1.6219   11.078   56.189   23.479   46.532   20.951 9.656754 31.46730 
1 1 1  -25   26   36 o   66.430   19.359   12.509   9.5232   30.495   20.382   7.4855   10.771   79.339   31.620   53.521   22.344 25.81838 38.71761 
1 1 1  -25   26   37 o   77.717   19.700   28.366   12.113   11.606   19.486   38.919   15.463   60.859   27.558   94.575   28.159 -33.71634 39.40028 
1 1 1  -25   26   38 o   49.792   16.903  -3.0996   12.176   2.5766   21.557  -5.7590   14.756   54.693   26.107   44.892   21.476 9.800739 33.80521 
1 1 1  -25   27    1 o   59.073   19.961 -17.0046   17.230 -13.9932   28.074 -18.8243   21.824   63.879   30.292   54.267   26.002 9.611362 39.92128 
1 1 1  -25   27    2 o   65.995   21.034  -0.6843   16.535 -21.1554   27.489   10.921   20.698   60.307   28.972   71.682   30.503 -11.37562 42.06865 
1 1 1  -25   27    3 o   40.749   13.430  -6.7380   7.1342  -5.0606   9.1660  -9.3157   11.363   39.909   18.383   41.589   19.586 -1.680275 26.86096 
1 1 1  -25   27    4 o  149.591   10.246   64.183   8.2615   68.284   11.595   59.955   11.774  154.811   13.861  144.371   15.092 10.43950 20.49144 
1 1 1  -25   27    5 o   58.191   15.795   8.2020   7.2172   12.222   9.7011   3.2194   10.801   64.219   22.564   52.163   22.109 12.05594 31.59010 
1 1 1  -25   27    6 o   71.282   15.912   15.906   7.1493   20.989   9.8282   10.194   10.419   81.245   21.893   61.319   23.098 19.92636 31.82452 
1 1 1  -25   27    7 o  100.659   13.957   30.945   7.3003   27.788   9.8580   34.779   10.863   94.795   19.880  106.523   19.595 -11.72797 27.91323 
1 1 1  -25   27    8 o   98.023   14.636   30.070   7.6469   35.690   10.600   23.972   11.042  109.961   17.840   86.086   23.209 23.87415 29.27290 
1 1 1  -25   27    9 o   47.848   14.544   0.1088   7.0790  -6.0650   10.047   6.1956   9.9760   41.060   19.030   54.636   22.001 -13.57639 29.08882 
1 1 1  -25   27   10 o   80.854   16.553   21.164   7.6336   20.387   10.437   22.058   11.194   79.476   22.993   82.232   23.818 -2.756378 33.10561 
1 1 1  -25   27   11 o  111.201   12.570   36.553   7.5476   36.572   10.876   36.536   10.482  111.039   18.126  111.364   17.419 -0.3252716 25.13966 
1 1 1  -25   27   12 o   64.243   15.119   10.839   7.3259   21.547   9.8968  -2.1400   10.896   82.084   21.905   46.401   20.845 35.68229 30.23847 
1 1 1  -25   27   13 o   76.727   14.148   17.357   7.1897   1.8560   10.111   33.215   10.226   49.119   21.120  104.336   18.831 -55.21626 28.29593 
1 1 1  -25   27   14 o  133.620   11.006   52.041   7.8709   58.859   11.024   44.952   11.241  143.343   14.233  123.897   16.790 19.44513 22.01111 
1 1 1  -25   27   15 o  156.815   9.7869   69.802   8.2609   78.888   12.174   62.048   11.247  166.400   13.539  147.231   14.136 19.16878 19.57385 
1 1 1  -25   27   16 o   60.922   16.022   9.5927   7.4233   3.3416   10.703   15.387   10.305   51.932   22.010   69.911   23.290 -17.97929 32.04499 
1 1 1  -25   27   17 o   92.447   15.450   27.560   7.6314   23.655   11.067   31.100   10.537   85.045   23.364   99.849   20.223 -14.80340 30.90071 
1 1 1  -25   27   18 o  116.116   12.394   40.112   7.7620   37.597   10.996   42.609   10.958  112.103   18.153  120.130   16.881 -8.027695 24.78869 
1 1 1  -25   27   19 o   73.544   16.288   17.752   7.3572   13.612   10.734   21.420   10.104   66.201   23.685   80.886   22.366 -14.68494 32.57647 
1 1 1  -25   27   20 o   81.324   16.349   21.956   7.6420   26.365   10.835   17.592   10.780   89.644   22.424   73.005   23.798 16.63845 32.69830 
1 1 1  -25   27   21 o   59.367   15.851   8.5541   7.4039   16.062   10.644   1.5169   10.305   70.231   23.672   48.504   21.088 21.72724 31.70273 
1 1 1  -25   27   22 o   49.698   15.075   2.6400   7.2707   3.8420   10.113   1.3539   10.461   50.870   21.468   48.526   21.169 2.344452 30.14991 
1 1 1  -25   27   23 o  147.946   10.895   64.287   8.6921   70.196   12.677   59.045   11.941  154.519   15.183  141.373   15.631 13.14600 21.79086 
1 1 1  -25   27   24 o   81.095   17.002   23.352   8.4003   15.571   12.352   30.049   11.458   68.090   25.247   94.100   22.778 -26.00974 34.00362 
1 1 1  -25   27   25 o   71.594   16.258   16.734   8.2241   4.1825   11.836   28.452   11.436   52.604   22.734   90.584   23.247 -37.97988 32.51586 
1 1 1  -25   27   26 o   43.590   14.758 -11.6232   9.7055 -12.5574   12.689 -10.3063   15.066   40.885   19.652   46.295   22.022 -5.409470 29.51604 
1 1 1  -25   27   27 o   49.935   23.550  -8.3018   16.537   0.0000   0.0000  -8.3018   16.537  ?   ?    49.935   23.550      ?      ? 
1 1 1  -25   27   28 o  184.443   13.711  105.566   13.583  102.049   18.148  110.045   20.483  182.138   18.439  186.747   20.298 -4.609283 27.42229 
1 1 1  -25   27   29 o   36.303   18.116 -30.5180   14.445 -30.5180   14.445   0.0000   0.0000   36.303   18.116  ?   ?       ?      ? 
1 1 1  -25   27   30 o   72.477   18.955   18.886   11.272   30.901   14.823   2.4122   17.357   88.421   27.816   56.534   25.758 31.88686 37.91060 
1 1 1  -25   27   31 o   47.215   15.253  -0.9283   9.0880 -10.6599   13.808   6.5100   12.071   41.913   20.235   52.517   22.828 -10.60397 30.50551 
1 1 1  -25   27   32 o   56.980   15.885   8.7726   8.1279  -2.7139   11.648   19.675   11.347   43.665   20.323   70.294   24.420 -26.62952 31.77011 
1 1 1  -25   27   33 o   43.224   14.204  -3.6956   8.0323  -6.1105   11.521  -1.4112   11.205   41.664   19.651   44.785   20.516 -3.120937 28.40878 
1 1 1  -25   27   34 o   44.295   15.459 -12.9312   9.9706  -6.1216   21.739 -14.7451   11.220   53.064   25.561   35.526   17.393 17.53779 30.91746 
1 1 1  -25   27   35 o   45.551   15.610 -14.0050   12.738 -41.3288   20.814   2.3559   16.106   39.783   20.101   51.318   23.889 -11.53547 31.22076 
1 1 1  -25   28    1 o   62.424   15.245   8.3858   7.0464  -1.1529   9.2723   21.424   10.841   43.878   19.503   80.970   23.436 -37.09237 30.48914 
1 1 1  -25   28    2 o  128.089   11.156   47.751   7.6901   48.078   10.451   47.366   11.356  129.009   14.992  127.168   16.526 1.840683 22.31280 
1 1 1  -25   28    3 o   55.795   15.603   7.2262   6.9936   8.9244   9.1197   4.8016   10.897   57.629   21.629   53.961   22.496 3.667927 31.20689 
1 1 1  -25   28    4 o   54.618   15.655   6.1313   7.1239   6.2810   9.3014   5.9188   11.080   53.591   21.360   55.646   22.893 -2.055191 31.31034 
1 1 1  -25   28    5 o   42.372   13.595  -4.5219   7.0382   1.2426   9.2790 -12.3313   10.800   46.660   20.148   38.084   18.260 8.575317 27.19089 
1 1 1  -25   28    6 o   62.031   15.408   10.272   7.1649   18.293   9.7280   0.7615   10.592   75.412   22.308   48.650   21.261 26.76188 30.81694 
1 1 1  -25   28    7 o  129.833   11.468   49.146   7.9948   47.851   10.675   50.801   12.065  128.386   15.387  131.279   17.008 -2.893158 22.93542 
1 1 1  -25   28    8 o   92.005   14.737   26.017   7.4782   16.759   10.048   37.513   11.196   72.154   22.925  111.856   18.524 -39.70204 29.47353 
1 1 1  -25   28    9 o   96.254   15.318   29.428   7.8137   23.351   10.627   36.579   11.529   84.506   22.762  108.002   20.504 -23.49629 30.63541 
1 1 1  -25   28   10 o   79.353   23.900   20.918   11.092   0.0000   0.0000   20.918   11.092  ?   ?    79.353   23.900      ?      ? 
1 1 1  -25   28   11 f  105.515   14.473   34.785   8.0387   26.273   11.073   44.271   11.689   89.392   22.839  121.637   17.784 -32.24551 28.94626 
1 1 1  -25   28   12 o   75.942   16.254   18.571   7.5567   11.851   10.435   25.982   10.958   63.040   23.238   88.845   22.732 -25.80533 32.50731 
1 1 1  -25   28   13 o   51.642   15.413   3.9101   7.3621   2.8906   10.081   5.0754   10.777   49.739   21.229   53.546   22.352 -3.807148 30.82650 
1 1 1  -25   28   14 o   71.529   16.663   16.748   7.4928   14.972   10.568   18.544   10.625   68.290   23.575   74.767   23.555 -6.476433 33.32598 
1 1 1  -25   28   15 o   40.362   13.362  -7.5723   7.3432 -11.0494   10.362  -4.0645   10.408   37.620   17.997   43.104   19.755 -5.484264 26.72384 
1 1 1  -25   28   16 o   54.819   15.884   6.3021   7.5136   7.1408   10.432   5.3982   10.831   55.712   22.476   53.926   22.450 1.786129 31.76707 
1 1 1  -25   28   17 o   56.435   15.272   5.3239   7.5375   16.865   10.579  -6.5756   10.742   71.314   23.591   41.556   19.400 29.75825 30.54303 
1 1 1  -25   28   18 o   96.147   15.835   30.760   8.0655   30.220   11.113   31.360   11.725   95.573   21.977   96.721   22.805 -1.148514 31.67053 
1 1 1  -25   28   19 o   62.610   16.684   12.310   7.6929   12.092   10.992   12.520   10.770   62.327   23.666   62.892   23.524 -0.5652657 33.36842 
1 1 1  -25   28   20 o   95.763   14.826   30.248   8.0491   48.107   11.835   14.879   10.979  125.122   17.504   66.404   23.933 58.71857 29.65111 
1 1 1  -25   28   21 o  136.030   12.150   56.532   8.9234   53.536   12.472   59.674   12.772  132.067   17.477  139.993   16.884 -7.925827 24.30045 
1 1 1  -25   28   22 o  101.586   17.447   34.206   9.1830   28.627   11.380   44.617   15.547   91.499   23.033  111.674   26.213 -20.17438 34.89461 
1 1 1  -25   28   23 o   57.174   17.384   3.6511   10.126  -5.5360   14.087   13.473   14.566   48.054   22.360   66.295   26.623 -18.24103 34.76757 
1 1 1  -25   28   24 o   62.558   17.508   2.9026   10.456 -16.4459   14.157   26.126   15.510   41.764   20.242   83.351   28.572 -41.58674 35.01545 
1 1 1  -25   28   25 o   83.817   19.649   26.541   10.501   29.212   13.885   22.973   16.051   89.294   26.706   78.341   28.829 10.95340 39.29779 
1 1 1  -25   28   26 o   44.698   15.137 -11.7191   10.480  -7.1757   13.772 -17.9707   16.155   45.722   21.541   43.674   21.271 2.048534 30.27307 
1 1 1  -25   28   27 o   69.618   15.203   15.382   9.2248 -15.6892   14.937   34.539   11.729   41.538   20.280   97.697   22.657 -56.15908 30.40697 
1 1 1  -25   28   28 o   55.623   17.626   8.0278   10.334  -0.8950   22.859   10.320   11.585   55.153   26.475   56.094   23.274 -0.9406128 35.25114 
1 1 1  -25   28   29 o  124.616   14.882   53.223   9.6062   65.595   13.892   41.887   13.297  142.455   18.047  106.776   23.668 35.67862 29.76391 
1 1 1  -25   28   30 o   65.439   18.947   15.109   10.010   13.225   11.934   19.581   18.384   61.661   24.315   69.217   29.064 -7.556126 37.89318 
1 1 1  -25   28   31 o   41.289   13.856  -6.3461   8.3449  -7.5754   12.078  -5.2233   11.543   40.946   19.544   41.633   19.647 -0.6868553 27.71227 
1 1 1  -25   28   32 o   81.358   20.717   32.503   11.113   38.536   24.271   30.903   12.500   76.745   32.853   85.970   25.248 -9.225533 41.43382 
1 1 1  -25   29    1 o   60.454   14.643   8.2491   7.3362   21.088   9.7991  -8.1236   11.066   79.865   22.003   41.043   19.328 38.82209 29.28658 
1 1 1  -25   29    2 o   75.364   16.458   18.174   7.6016   11.815   10.125   26.386   11.507   62.367   22.906   88.362   23.638 -25.99514 32.91547 
1 1 1  -25   29    3 o  134.423   11.234   54.182   7.9758   64.388   11.079   43.202   11.491  149.226   13.739  119.619   17.778 29.60742 22.46818 
1 1 1  -25   29    4 o   68.685   13.273   11.074   7.3466   31.210   10.054 -11.9950   10.761   99.595   19.379   37.774   18.142 61.82042 26.54564 
1 1 1  -25   29    5 o   37.334   12.670 -11.1645   7.2579 -10.6081   9.4341 -11.9715   11.361   35.587   17.063   39.080   18.735 -3.492962 25.34056 
1 1 1  -25   29    6 o   47.303   14.455  -0.2541   7.2644   7.3365   9.9400  -8.9563   10.643   55.100   22.041   39.505   18.710 15.59504 28.91100 
1 1 1  -25   29    7 o  101.671   15.019   33.078   7.9382   29.496   10.516   37.822   12.103   95.396   20.972  107.946   21.504 -12.54966 30.03759 
1 1 1  -25   29    8 o  135.878   11.729   55.767   8.5010   63.030   11.792   47.908   12.266  146.459   14.900  125.296   18.117 21.16254 23.45730 
1 1 1  -25   29    9 o   72.801   16.442   16.948   7.8006   8.6684   10.591   26.766   11.533   57.336   22.811   88.265   23.687 -30.92876 32.88457 
1 1 1  -25   29   10 o   56.942   16.215   7.8083   7.7082   4.3338   10.381   12.079   11.509   51.148   21.677   62.735   24.120 -11.58617 32.42957 
1 1 1  -25   29   11 f   98.174   14.990   32.124   8.0386   44.863   11.492   19.919   11.248  121.025   17.573   75.323   24.290 45.70184 29.98000 
1 1 1  -25   29   12 f   42.265   13.832  -4.6369   7.5014  -2.4378   10.407  -7.0147   10.822   43.741   19.936   40.790   19.179 2.951019 27.66383 
1 1 1  -25   29   13 o   54.508   15.061   1.7491   7.7233 -12.7113   10.517   18.679   11.379   36.300   17.558   72.716   24.476 -36.41610 30.12184 
1 1 1  -25   29   14 o  129.456   11.903   51.135   8.2252   60.140   11.747   42.474   11.521  141.927   15.317  116.985   18.225 24.94216 23.80655 
1 1 1  -25   29   15 o   65.421   16.882   13.842   8.1072   19.056   11.074   7.8195   11.901   73.798   24.123   57.045   23.622 16.75317 33.76332 
1 1 1  -25   29   16 o   47.907   15.488  -2.5149   8.6696  -4.0945   10.974   0.1074   14.140   43.553   20.080   52.262   23.587 -8.709324 30.97692 
1 1 1  -25   29   17 o   59.412   17.380   6.2419   9.3691  -1.6750   12.331   17.056   14.411   48.136   21.846   70.688   27.036 -22.55229 34.75917 
1 1 1  -25   29   18 o   97.280   18.474   34.029   9.9186   35.293   13.359   32.477   14.807  100.758   24.722   93.803   27.458 6.954887 36.94735 
1 1 1  -25   29   19 o  143.486   14.775   66.110   10.967   78.446   15.527   53.829   15.492  160.235   17.932  126.736   23.487 33.49931 29.54996 
1 1 1  -25   29   20 o   81.770   18.352   24.454   9.3886   29.212   12.627   18.572   14.040   90.902   24.949   72.638   26.920 18.26412 36.70362 
1 1 1  -25   29   21 o   51.044   16.406  -0.5548   9.9096   1.9649   13.214  -3.7928   14.980   52.097   23.211   49.992   23.193 2.104969 32.81240 
1 1 1  -25   29   22 o   49.801   15.922  -3.9059   10.077   10.932   13.800 -20.8581   14.750   60.098   25.205   39.503   19.460 20.59504 31.84308 
1 1 1  -25   29   23 o  141.506   11.878   63.459   9.0320   73.043   13.483   55.656   12.165  151.538   16.465  131.473   17.124 20.06448 23.75535 
1 1 1  -25   29   24 o   33.879   11.808 -16.2820   7.6662 -17.1905   10.456 -15.2259   11.273   32.611   16.125   35.146   17.254 -2.535313 23.61597 
1 1 1  -25   29   25 o   57.585   16.505   10.562   8.0135   9.4350   11.472   11.635   11.198   56.198   23.226   58.971   23.458 -2.772530 33.01095 
1 1 1  -25   29   26 o   51.594   15.650   3.3240   8.3084   12.780   11.913  -5.6303   11.593   61.073   24.226   42.116   19.818 18.95681 31.29957 
1 1 1  -25   29   27 o   46.801   14.936  -0.4065   8.2828  -7.8207   11.580   7.3607   11.852   40.132   19.150   53.469   22.925 -13.33728 29.87153 
1 1 1  -25   29   28 o  101.550   15.524   37.941   8.5098   28.401   11.719   48.584   12.378   83.804   24.398  119.296   19.201 -35.49228 31.04737 
1 1 1  -25   29   29 o   98.811   20.654   47.124   11.370   52.658   25.323   45.727   12.725   86.528   34.978  111.095   21.975 -24.56718 41.30863 
1 1 1  -25   30    1 o   49.100   14.945  -3.1856   7.8282 -14.4359   10.317   12.079   12.018   35.060   17.059   63.140   24.545 -28.07974 29.89041 
1 1 1  -25   30    2 o   82.997   16.634   23.393   7.7689   20.451   10.319   27.242   11.803   77.389   22.995   88.604   24.041 -11.21471 33.26775 
1 1 1  -25   30    3 o   51.859   15.789   3.4184   8.0611   0.6544   11.253   6.3314   11.553   48.522   21.530   55.197   23.100 -6.675213 31.57746 
1 1 1  -25   30    4 o  149.581   11.009   67.203   8.7530   72.150   11.725   60.978   13.155  157.335   13.791  141.827   17.165 15.50787 22.01893 
1 1 1  -25   30    5 o   45.747   14.552  -2.4955   7.6484  -7.7753   10.366   3.8122   11.331   39.505   18.635   51.989   22.356 -12.48439 29.10469 
1 1 1  -25   30    6 o   52.013   15.339   2.3679   8.0199   12.081   10.758  -9.7823   12.032   62.478   23.483   41.548   19.740 20.93025 30.67754 
1 1 1  -25   30    7 f   90.873   27.471   30.563   14.634   0.0000   0.0000   30.563   14.634  ?   ?    90.873   27.471      ?      ? 
1 1 1  -25   30    8 o   88.243   28.033   29.144   15.025   0.0000   0.0000   29.144   15.025  ?   ?    88.243   28.033      ?      ? 
1 1 1  -25   30    9 o   88.113   17.916   25.166   9.2794   14.921   11.790   41.847   15.043   67.360   24.720  108.866   25.941 -41.50592 35.83295 
1 1 1  -25   30   10 o  130.345   15.369   54.990   10.384   54.887   13.586   55.135   16.101  133.208   18.875  127.483   24.260 5.725121 30.73748 
1 1 1  -25   30   11 o   63.681   17.691   8.2127   9.6002  -2.8919   12.639   23.356   14.760   47.726   21.836   79.636   27.840 -31.91037 35.38161 
1 1 1  -25   30   12 o   47.916   15.543  -6.1833   9.7585   4.3468   12.902 -20.2613   14.918   54.630   23.673   41.202   20.148 13.42844 31.08607 
1 1 1  -25   30   13 o   69.997   17.870   15.782   9.5974   26.149   13.185   4.0991   13.997   84.527   26.176   55.467   24.335 29.05994 35.74033 
1 1 1  -25   30   14 o   78.740   19.328   23.517   10.002   23.536   13.083   23.491   15.514   79.533   26.231   77.946   28.394 1.586815 38.65645 
1 1 1  -25   30   15 o   54.548   16.871   5.1385   9.4938   7.7117   12.315   1.3694   14.905   56.160   23.695   52.936   24.023 3.224403 33.74230 
1 1 1  -25   30   16 o   47.738   15.574  -1.2069   9.2971  -0.8052   12.333  -1.7356   14.150   46.881   21.493   48.594   22.543 -1.713070 31.14751 
1 1 1  -25   30   17 o   59.911   16.696   11.442   8.7713   0.7090   12.713   21.194   12.118   47.809   21.883   72.014   25.223 -24.20506 33.39248 
1 1 1  -25   30   18 o   51.954   15.757   6.9116   7.9494   4.9654   11.169   8.9093   11.316   49.671   21.766   54.237   22.790 -4.565563 31.51398 
1 1 1  -25   30   19 o   67.964   16.853   17.788   7.6277   16.355   10.308   19.522   11.340   65.663   23.240   70.265   24.412 -4.601479 33.70512 
1 1 1  -25   30   20 o  118.560   14.040   46.736   8.7640   41.449   12.002   52.774   12.827  109.732   21.007  127.387   18.634 -17.65549 28.08077 
1 1 1  -25   30   21 o   42.910   14.080  -4.6209   7.8912 -10.2262   10.784   1.8410   11.578   37.557   18.069   48.262   21.598 -10.70575 28.15948 
1 1 1  -25   30   22 o   51.990   15.395   4.2651   8.0106   14.607   11.215  -6.5081   11.446   63.027   23.911   40.953   19.398 22.07344 30.78947 
1 1 1  -25   30   23 f   91.011   16.470   31.568   8.0926   31.138   10.756   32.129   12.285   92.037   21.938   89.986   24.572 2.050774 32.94061 
1 1 1  -25   30   24 o   46.794   15.043   1.9688   8.3063   1.5408   11.523   2.4316   11.984   46.143   21.010   47.445   21.535 -1.301937 30.08598 
1 1 1  -25   31    1 o   99.511   17.774   38.148   9.3907   33.333   12.003   45.743   15.077   93.095   23.776  105.928   26.427 -12.83344 35.54854 
1 1 1  -25   31    2 o   78.652   18.572   25.896   9.1594   22.838   11.940   30.270   14.279   74.487   25.071   82.817   27.408 -8.329796 37.14495 
1 1 1  -25   31    3 f   62.020   17.590   14.730   9.3082   18.890   12.165   8.8559   14.457   67.938   25.082   56.102   24.669 11.83637 35.18079 
1 1 1  -25   31    4 o   52.938   16.278   6.7102   8.9426   10.962   11.607   0.4991   14.029   56.982   23.436   48.895   22.599 8.086456 32.55695 
1 1 1  -25   31    5 o   66.179   17.424   17.709   9.0765   24.189   11.791   8.2838   14.220   76.976   24.874   55.382   24.406 21.59346 34.84729 
1 1 1  -25   31    6 o   68.464   18.364   18.355   9.3442   11.865   12.010   28.311   14.874   58.160   23.870   78.767   27.913 -20.60730 36.72757 
1 1 1  -25   31    7 o   87.042   15.783   31.395   9.4702   46.959   12.353   9.2072   14.749  117.613   19.437   56.471   24.872 61.14142 31.56621 
1 1 1  -25   31    8 o   44.554   14.584  -2.1004   8.4308   2.4437   11.676  -7.0499   12.186   47.812   21.520   41.296   19.689 6.516731 29.16770 
1 1 1  -25   31    9 o   53.121   16.171   7.3553   8.4042   7.7432   11.967   6.9778   11.806   53.599   23.010   52.643   22.729 0.9550819 32.34251 
1 1 1  -25   31   10 o   99.840   16.157   35.908   8.6150   26.580   11.454   48.058   13.073   82.866   24.120  116.813   21.503 -33.94679 32.31308 
1 1 1  -25   31   11 o   40.056   13.403  -7.2780   7.8554  -2.0158   10.535 -13.8665   11.788   42.895   19.739   37.217   18.136 5.677414 26.80585 
1 1 1  -25   31   12 o   51.758   15.802   5.5627   8.0570   6.0415   10.876   4.9805   11.994   51.751   22.069   51.766   22.623 -0.1455307E-01 31.60427 
1 1 1  -25   31   13 o   45.047   14.282  -0.7297   7.5986   5.5836   9.9143  -9.7178   11.830   50.245   21.233   39.849   19.107 10.39660 28.56423 
1 1 1  -25   31   14 o   35.791   12.383 -18.5848   7.9580 -30.8791   10.919  -4.6572   11.622   28.730   14.521   42.852   20.061 -14.12204 24.76541 
1 1 1  -25   31   15 o   47.454   15.100   1.3789   8.1356   2.6339   11.090  -0.0835   11.972   48.106   21.358   46.803   21.351 1.303398 30.19946 
1 1 1  -25   31   16 o   67.878   17.301   18.292   8.3395   21.988   11.315   13.895   12.339   74.426   24.387   61.330   24.548 13.09520 34.60272 
1 1 1  -25   31   17 o   40.653   13.431  -4.0063   7.4607   0.4442   9.8090 -10.1148   11.492   43.179   19.552   38.126   18.420 5.053131 26.86228 
1 1 1  -25   31   18 o   62.727   16.803   14.230   8.2603   6.0281   11.062   24.567   12.419   50.078   21.810   75.377   25.568 -25.29927 33.60685 
1 1 1  -25   31   19 o   57.281   16.360   11.214   8.0294   5.4087   10.893   18.122   11.882   49.061   21.497   65.501   24.668 -16.43982 32.72034 
1 1 1  -25   32    1 o   45.616   14.590   1.7209   7.6132   1.0036   10.026   2.6979   11.701   43.764   19.796   47.468   21.437 -3.703876 29.17942 
1 1 1  -25   32    2 o   47.037   14.781   3.1302   7.4996   0.5699   10.065   6.3267   11.246   43.433   19.722   50.641   22.023 -7.208233 29.56279 
1 1 1  -25   32    3 o   44.959   14.454   1.0573   7.6469   2.0665   10.083  -0.3090   11.732   44.935   20.129   44.983   20.748 -0.4801941E-01 28.90723 
1 1 1  -25   32    4 o   50.213   22.235   5.3191   11.943   0.0000   0.0000   5.3191   11.943  ?   ?    50.213   22.235      ?      ? 
1 1 1  -25   32    5 o   49.902   15.337   5.9507   7.7098   6.8167   10.416   4.9012   11.466   50.482   21.564   49.322   21.816 1.160038 30.67442 
1 1 1  -25   32    6 o   45.129   14.418   1.4443   7.5912   4.4112   9.9488  -2.6902   11.744   47.182   20.612   43.076   20.166 4.105171 28.83661 
1 1 1  -25   32    7 o   44.225   14.347  -0.8772   7.7835  -5.5660   10.405   5.0812   11.729   38.838   18.424   49.612   21.998 -10.77406 28.69450 
1 1 1  -25   32    8 f   34.001   11.836 -15.0166   7.6460 -12.6100   10.101 -18.2461   11.701   33.854   16.560   34.148   16.916 -0.2941093 23.67215 
1 1 1  -25   32    9 o   57.195   16.389   11.931   8.1213   15.613   10.845   7.2301   12.254   62.354   23.547   52.035   22.801 10.31884 32.77723 
1 1 1  -24    0    1 o  405.677   8.0219  445.946   24.825  445.946   24.825  445.946   24.825  405.677   11.345  405.677   11.345 0.000000 0.000000 
1 1 1  -24    0    5 o  501.897   6.5858  681.556   25.240  681.556   25.240  681.556   25.240  501.897   9.3138  501.897   9.3138 0.000000 0.000000 
1 1 1  -24    0    6 o  706.246   8.7611  1349.79   47.252  1349.79   47.252  1349.79   47.252  706.246   12.390  706.246   12.390 0.000000 0.000000 
1 1 1  -24    0    7 o  1192.48   14.299  3852.39  130.219  3852.39  130.219  3852.39  130.219  1192.48   20.222  1192.48   20.222 0.000000 0.000000 
1 1 1  -24    0    8 o  965.176   11.679  2522.23   86.085  2522.23   86.085  2522.23   86.085  965.176   16.517  965.176   16.517 0.000000 0.000000 
1 1 1  -24    0    9 o  534.095   6.9333  771.834   28.277  771.834   28.277  771.834   28.277  534.095   9.8051  534.095   9.8051 0.000000 0.000000 
1 1 1  -24    0   10 o  588.461   7.5165  937.012   33.777  937.012   33.777  937.012   33.777  588.461   10.630  588.461   10.630 0.000000 0.000000 
1 1 1  -24    0   11 o  221.574   4.9488  133.074   8.3607  133.074   8.3607  133.074   8.3607  221.574   6.9987  221.574   6.9987 0.000000 0.000000 
1 1 1  -24    0   12 o  315.853   5.1466  270.042   12.408  270.042   12.408  270.042   12.408  315.853   7.2784  315.853   7.2784 0.000000 0.000000 
1 1 1  -24    0   13 o  641.224   8.1013  1112.72   39.670  1112.72   39.670  1112.72   39.670  641.224   11.457  641.224   11.457 0.000000 0.000000 
1 1 1  -24    0   14 o  715.498   8.9115  1385.63   48.692  1385.63   48.692  1385.63   48.692  715.498   12.603  715.498   12.603 0.000000 0.000000 
1 1 1  -24    0   15 o  687.712   8.6121  1280.10   45.229  1280.10   45.229  1280.10   45.229  687.712   12.179  687.712   12.179 0.000000 0.000000 
1 1 1  -24    0   16 f  203.874   5.3457  112.801   8.3026  112.801   8.3026  112.801   8.3026  203.874   7.5599  203.874   7.5599 0.000000 0.000000 
1 1 1  -24    0   17 o  652.991   8.2567  1154.11   41.172  1154.11   41.172  1154.11   41.172  652.991   11.677  652.991   11.677 0.000000 0.000000 
1 1 1  -24    0   18 o  1313.10   15.732  4676.53  157.763  4676.53  157.763  4676.53  157.763  1313.10   22.249  1313.10   22.249 0.000000 0.000000 
1 1 1  -24    0   19 o  990.086   12.007  2655.39   90.787  2655.39   90.787  2655.39   90.787  990.086   16.980  990.086   16.980 0.000000 0.000000 
1 1 1  -24    0   20 o  137.360   7.7459   51.980   8.0119   51.980   8.0119   51.980   8.0119  137.360   10.954  137.360   10.954 0.000000 0.000000 
1 1 1  -24    0   21 o  213.190   6.0303  123.443   9.7887  123.443   9.7887  123.443   9.7887  213.190   8.5281  213.190   8.5281 0.000000 0.000000 
1 1 1  -24    0   22 o  132.689   8.2281   48.700   8.1957   48.700   8.1957   48.700   8.1957  132.689   11.636  132.689   11.636 0.000000 0.000000 
1 1 1  -24    0   23 o  180.818   6.7622   89.130   9.2843   89.130   9.2843   89.130   9.2843  180.818   9.5632  180.818   9.5632 0.000000 0.000000 
1 1 1  -24    0   24 o  692.712   8.7810  1299.11   46.450  1299.11   46.450  1299.11   46.450  692.712   12.418  692.712   12.418 0.000000 0.000000 
1 1 1  -24    0   25 o  313.506   5.8363  266.244   13.961  266.244   13.961  266.244   13.961  313.506   8.2538  313.506   8.2538 0.000000 0.000000 
1 1 1  -24    0   26 o  195.390   7.3599  104.122   10.918  104.122   10.918  104.122   10.918  195.390   10.408  195.390   10.408 0.000000 0.000000 
1 1 1  -24    0   27 o  488.496   6.8753  646.051   25.643  646.051   25.643  646.051   25.643  488.496   9.7231  488.496   9.7231 0.000000 0.000000 
1 1 1  -24    0   28 o  403.614   6.2069  441.081   19.124  441.081   19.124  441.081   19.124  403.614   8.7779  403.614   8.7779 0.000000 0.000000 
1 1 1  -24    0   29 o   39.212   16.315   4.7817   8.3027   4.7817   8.3027   4.7817   8.3027   39.212   23.073   39.212   23.073 0.000000 0.000000 
1 1 1  -24    0   30 o  228.045   6.1074  141.245   10.609  141.245   10.609  141.245   10.609  228.045   8.6372  228.045   8.6372 0.000000 0.000000 
1 1 1  -24    0   31 o  204.602   6.6001  113.940   10.271  113.940   10.271  113.940   10.271  204.602   9.3339  204.602   9.3339 0.000000 0.000000 
1 1 1  -24    0   32 o  146.558   8.1653   59.215   9.0145   59.215   9.0145   59.215   9.0145  146.558   11.548  146.558   11.548 0.000000 0.000000 
1 1 1  -24    0   35 o  471.356   9.5802  604.054   34.444  604.054   34.444  604.054   34.444  471.356   13.548  471.356   13.548 0.000000 0.000000 
1 1 1  -24    0   36 o  449.046   6.4825  546.526   22.224  546.526   22.224  546.526   22.224  449.046   9.1676  449.046   9.1676 0.000000 0.000000 
1 1 1  -24    0   37 o  377.922   5.9235  387.149   17.089  387.149   17.089  387.149   17.089  377.922   8.3772  377.922   8.3772 0.000000 0.000000 
1 1 1  -24    0   38 o   77.881   15.138   19.853   7.7905   19.853   7.7905   19.853   7.7905   77.881   21.408   77.881   21.408 0.000000 0.000000 
1 1 1  -24    0   39 o   81.551   14.280   21.129   7.7029   21.129   7.7029   21.129   7.7029   81.551   20.195   81.551   20.195 0.000000 0.000000 
1 1 1  -24    0   40 o  501.741   6.9051  683.128   26.454  683.128   26.454  683.128   26.454  501.741   9.7653  501.741   9.7653 0.000000 0.000000 
1 1 1  -24    0   41 o  235.018   5.8827  150.192   10.535  150.192   10.535  150.192   10.535  235.018   8.3194  235.018   8.3194 0.000000 0.000000 
1 1 1  -24    0   42 o  256.094   5.6456  178.220   11.024  178.220   11.024  178.220   11.024  256.094   7.9841  256.094   7.9841 0.000000 0.000000 
1 1 1  -24    0   43 o  271.771   5.7099  200.711   11.835  200.711   11.835  200.711   11.835  271.771   8.0750  271.771   8.0750 0.000000 0.000000 
1 1 1  -24    0   44 o  331.785   5.8319  299.025   14.766  299.025   14.766  299.025   14.766  331.785   8.2476  331.785   8.2476 0.000000 0.000000 
1 1 1  -24    0   45 o  196.194   6.0252  105.036   8.9948  105.036   8.9948  105.036   8.9948  196.194   8.5209  196.194   8.5209 0.000000 0.000000 
1 1 1  -24    0   47 f  190.082   6.2037   98.783   8.9677   98.783   8.9677   98.783   8.9677  190.082   8.7733  190.082   8.7733 0.000000 0.000000 
1 1 1  -24    0   48 o   63.203   17.248   15.187   7.9031   15.187   7.9031   15.187   7.9031   63.203   24.393   63.203   24.393 0.000000 0.000000 
1 1 1  -24    0   49 o  116.336   9.2057   38.454   7.9213   38.454   7.9213   38.454   7.9213  116.336   13.019  116.336   13.019 0.000000 0.000000 
1 1 1  -24    0   50 o   25.591   12.351  -4.1554   7.5211  -4.1554   7.5211  -4.1554   7.5211   25.591   17.468   25.591   17.468 0.000000 0.000000 
1 1 1  -24    0   51 o   36.158   15.374   4.0760   7.6762   4.0760   7.6762   4.0760   7.6762   36.158   21.742   36.158   21.742 0.000000 0.000000 
1 1 1  -24    0   52 o  296.497   5.8932  239.977   13.329  239.977   13.329  239.977   13.329  296.497   8.3342  296.497   8.3342 0.000000 0.000000 
1 1 1  -24    0   53 o   27.907   13.166  -1.9143   7.6593  -1.9143   7.6593  -1.9143   7.6593   27.907   18.620   27.907   18.620 0.000000 0.000000 
1 1 1  -24    0   54 o  101.658   12.068   31.134   8.5811   31.134   8.5811   31.134   8.5811  101.658   17.067  101.658   17.067 0.000000 0.000000 
1 1 1  -24    0   55 o   70.315   16.765   18.133   8.0542   18.133   8.0542   18.133   8.0542   70.315   23.709   70.315   23.709 0.000000 0.000000 
1 1 1  -24    0   56 o  102.242   11.706   31.397   8.4274   31.397   8.4274   31.397   8.4274  102.242   16.555  102.242   16.555 0.000000 0.000000 
1 1 1  -24    0   57 o  271.170   6.0002  201.760   12.406  201.760   12.406  201.760   12.406  271.170   8.4855  271.170   8.4855 0.000000 0.000000 
1 1 1  -24    0   58 f   98.116   12.746   29.864   8.6053   29.864   8.6053   29.864   8.6053   98.116   18.026   98.116   18.026 0.000000 0.000000 
1 1 1  -24    0   59 o   50.980   17.778   11.721   8.2923   11.721   8.2923   11.721   8.2923   50.980   25.142   50.980   25.142 0.000000 0.000000 
1 1 1  -24    0   62 o   28.865   13.839  -2.5715   9.1209  -2.5715   9.1209  -2.5715   9.1209   28.865   19.571   28.865   19.571 0.000000 0.000000 
1 1 1  -24    0   63 o   44.324   17.765   9.6628   9.2973   9.6628   9.2973   9.6628   9.2973   44.324   25.123   44.324   25.123 0.000000 0.000000 
1 1 1  -24    1    1 o  709.483   17.546  1363.74   67.269   0.0000   0.0000  1363.74   67.269  ?   ?   709.483   17.546      ?      ? 
1 1 1  -24    1    2 o  431.759   11.716  504.279   27.334   0.0000   0.0000  504.279   27.334  ?   ?   431.759   11.716      ?      ? 
1 1 1  -24    1    4 o  231.564   6.6954  144.707   8.3651  149.932   12.246  140.135   11.454  235.472   9.6239  227.655   9.3110 7.817413 13.39079 
1 1 1  -24    1    5 o  521.039   8.2933  732.778   21.984  729.618   26.860  739.189   38.260  519.448   9.5692  522.630   13.548 -3.182007 16.58652 
1 1 1  -24    1    6 o  818.524   10.003  1813.38   44.243  1818.58   62.787  1808.25   62.353  819.686   14.175  817.362   14.117 2.324829 20.00600 
1 1 1  -24    1    7 o  602.740   7.6386  982.245   24.873  967.414   34.718  997.884   35.652  598.070   10.743  607.409   10.862 -9.338379 15.27712 
1 1 1  -24    1    8 o  467.642   6.2818  590.748   15.865  576.349   21.980  606.406   22.921  461.702   8.8100  473.582   8.9568 -11.88028 12.56350 
1 1 1  -24    1    9 o  278.958   4.9000  210.083   7.3817  201.234   10.241  219.652   10.649  272.851   6.9461  285.065   6.9133 -12.21387 9.800090 
1 1 1  -24    1   10 o  645.977   8.1129  1128.75   28.318  1121.35   39.821  1136.32   40.278  643.838   11.446  648.116   11.501 -4.278687 16.22588 
1 1 1  -24    1   11 o  508.173   6.6884  698.316   18.366  696.456   25.934  700.188   26.014  507.494   9.4569  508.852   9.4606 -1.357971 13.37671 
1 1 1  -24    1   12 o  307.736   5.1229  255.994   8.5187  257.630   12.081  254.376   12.014  308.714   7.2417  306.758   7.2479 1.956116 10.24572 
1 1 1  -24    1   13 o  544.115   7.0862  800.693   20.834  795.595   29.322  805.892   29.609  542.367   10.005  545.863   10.038 -3.496460 14.17240 
1 1 1  -24    1   14 o  227.776   5.0994  140.223   6.2750  141.632   8.9910  138.885   8.7618  228.890   7.2693  226.662   7.1536 2.228226 10.19886 
1 1 1  -24    1   15 o  414.588   5.9032  464.750   13.225  462.326   18.620  467.217   18.786  413.498   8.3332  415.678   8.3636 -2.180023 11.80642 
1 1 1  -24    1   16 o  273.941   5.1556  202.849   7.6301  208.842   10.863  197.012   10.720  277.936   7.2328  269.946   7.3490 7.989807 10.31120 
1 1 1  -24    1   17 o  471.748   6.4290  601.829   16.388  596.390   23.026  607.411   23.328  469.590   9.0744  473.907   9.1095 -4.317230 12.85802 
1 1 1  -24    1   18 o  163.886   9.0212   72.638   7.9890   0.0000   0.0000   72.638   7.9890  ?   ?   163.886   9.0212      ?      ? 
1 1 1  -24    1   19 o  492.477   6.6708  655.873   17.750  661.661   25.363  650.318   24.848  494.603   9.4900  490.351   9.3777 4.251648 13.34166 
1 1 1  -24    1   20 o  606.737   7.8244  995.909   25.650  984.502   35.927  1007.77   36.632  603.198   11.022  610.276   11.108 -7.078674 15.64881 
1 1 1  -24    1   21 o  627.406   8.0430  1065.30   27.268  1070.54   38.701  1060.13   38.425  628.937   11.387  625.875   11.361 3.062012 16.08592 
1 1 1  -24    1   22 o  566.554   7.4513  868.372   22.808  878.781   32.607  858.400   31.916  569.874   10.589  563.235   10.487 6.639038 14.90267 
1 1 1  -24    1   23 o  263.868   5.9498  188.297   8.4827  188.065   11.911  188.536   12.083  263.704   8.3589  264.031   8.4692 -0.3268127 11.89952 
1 1 1  -24    1   24 o  598.896   7.8607  970.692   25.438  963.559   35.782  977.982   36.171  596.674   11.098  601.119   11.136 -4.445496 15.72137 
1 1 1  -24    1   25 o  484.021   6.7786  633.867   17.729  629.169   25.000  638.620   25.145  482.216   9.5943  485.826   9.5783 -3.609375 13.55711 
1 1 1  -24    1   26 o  524.510   7.1473  744.647   20.257  744.138   28.562  745.162   28.734  524.333   10.081  524.688   10.135 -0.3554688 14.29459 
1 1 1  -24    1   27 o  102.976   15.491   28.775   8.6202   28.775   8.6202   0.0000   0.0000  102.976   15.491  ?   ?       ?      ? 
1 1 1  -24    1   28 o  161.895   7.6723   71.536   6.6536   80.632   9.2832   61.927   9.5414  172.590   9.9539  151.200   11.678 21.39058 15.34467 
1 1 1  -24    1   29 o  174.265   7.2468   82.116   6.7885   94.160   9.8291   71.130   9.3871  186.484   9.7540  162.046   10.720 24.43759 14.49359 
1 1 1  -24    1   30 o  679.328   8.6571  1251.65   31.779  1254.45   45.064  1248.88   44.821  680.080   12.263  678.576   12.223 1.503296 17.31424 
1 1 1  -24    1   31 o  189.926   6.6574   97.625   6.8003   85.291   9.4395  110.934   9.8052  177.441   9.8448  202.411   8.9647 -24.96928 13.31484 
1 1 1  -24    1   32 o  368.652   6.0004  367.141   11.938  352.438   16.378  383.803   17.436  360.803   8.4006  376.500   8.5702 -15.69708 12.00071 
1 1 1  -24    1   35 o  210.385   8.9702  121.728   10.056   99.707   14.346  142.995   14.099  191.334   13.876  229.436   11.372 -38.10139 17.94037 
1 1 1  -24    1   36 o  463.886   6.5644  583.683   16.455  579.330   23.188  588.099   23.354  462.143   9.2853  465.628   9.2818 -3.485107 13.12888 
1 1 1  -24    1   37 o  123.866   8.6412   41.733   5.7715   45.628   8.3003   38.087   8.0306  129.484   11.863  118.248   12.568 11.23590 17.28235 
1 1 1  -24    1   38 o  190.582   6.3658   98.576   6.5518   97.526   9.0873   99.713   9.4547  189.538   8.8726  191.625   9.1308 -2.086105 12.73166 
1 1 1  -24    1   39 o  331.678   5.8352  298.417   10.456  303.796   14.976  293.300   14.605  334.588   8.2832  328.768   8.2212 5.820129 11.67048 
1 1 1  -24    1   40 o  440.878   6.3930  527.727   15.224  539.395   21.932  516.877   21.149  445.560   9.1092  436.196   8.9725 9.363342 12.78606 
1 1 1  -24    1   41 o  146.511   7.6259   58.693   6.0102   52.299   8.4961   65.099   8.5032  138.428   11.358  154.595   10.179 -16.16713 15.25181 
1 1 1  -24    1   42 o  131.264   8.2871   46.976   5.8680   43.704   8.0494   50.687   8.5725  126.392   11.786  136.135   11.653 -9.743065 16.57412 
1 1 1  -24    1   43 o   92.509   11.197   24.155   5.3656   31.124   7.7910   17.867   7.4002  106.386   13.553   78.631   17.828 27.75491 22.39402 
1 1 1  -24    1   44 f  256.259   5.6202  178.608   7.7815  178.157   11.088  179.045   10.923  255.926   8.0179  256.593   7.8778 -0.6671143 11.24042 
1 1 1  -24    1   45 o  154.748   7.2626   65.896   6.0298   57.487   8.5866   74.077   8.4694  144.815   10.973  164.682   9.5174 -19.86656 14.52527 
1 1 1  -24    1   46 o  307.471   5.6124  257.401   9.3187  252.096   12.900  263.190   13.476  304.190   7.8483  310.752   8.0251 -6.561981 11.22483 
1 1 1  -24    1   47 o  176.129   9.0434   84.811   8.6070   84.811   8.6070   0.0000   0.0000  176.129   9.0434  ?   ?       ?      ? 
1 1 1  -24    1   48 f   99.369   10.339   27.455   5.5221   31.701   8.1116   23.788   7.5387  106.612   14.080   92.126   15.143 14.48613 20.67799 
1 1 1  -24    1   49 o   58.639   13.285   9.4675   5.0920   4.2473   7.4109   14.136   7.0083   48.300   19.124   68.978   18.445 -20.67762 26.56978 
1 1 1  -24    1   50 o   75.910   12.160   16.837   5.1191   10.082   7.1151   24.085   7.3706   59.371   19.333   92.449   14.754 -33.07771 24.31952 
1 1 1  -24    1   51 o  109.244   9.6785   33.621   5.7055   34.764   7.9627   32.414   8.1792  111.296   13.240  107.193   14.121 4.102951 19.35708 
1 1 1  -24    1   52 o  280.979   5.7563  216.572   8.7398  218.105   12.397  215.058   12.323  281.969   8.1365  279.989   8.1448 1.980377 11.51262 
1 1 1  -24    1   53 o   53.947   14.013   7.5545   5.3587   7.9361   7.7003   7.1961   7.4620   54.816   19.999   53.078   19.634 1.737198 28.02618 
1 1 1  -24    1   54 o   56.348   13.093   7.6389   5.4232   16.139   7.5832  -1.2597   7.7590   72.326   19.115   40.370   17.897 31.95582 26.18513 
1 1 1  -24    1   55 o   68.357   13.840   14.295   5.5847   9.3205   7.7884   19.559   8.0123   57.181   20.205   79.533   18.919 -22.35230 27.67957 
1 1 1  -24    1   56 o   69.320   13.968   14.858   5.8904   7.8386   8.3796   21.715   8.2818   54.843   20.702   83.797   18.758 -28.95335 27.93561 
1 1 1  -24    1   57 o  257.072   6.0917  183.203   8.4618  184.104   12.038  182.324   11.896  257.673   8.6458  256.471   8.5840 1.202301 12.18344 
1 1 1  -24    1   58 o   65.549   14.102   13.264   5.9784   5.6730   8.3998   21.056   8.5106   50.287   20.210   80.812   19.674 -30.52419 28.20461 
1 1 1  -24    1   59 o   48.335   14.198   3.8870   6.2043   7.2319   8.9193   0.7513   8.6359   53.041   20.987   43.630   19.128 9.411530 28.39626 
1 1 1  -24    1   62 o   55.579   15.612   9.5863   7.0045   10.091   10.006   9.1010   9.8087   56.370   22.253   54.787   21.902 1.583015 31.22305 
1 1 1  -24    1   63 o   34.652   11.645  -8.8970   6.1815 -17.7818   8.8016  -0.2495   8.6834   28.688   14.288   40.615   18.393 -11.92706 23.29054 
1 1 1  -24    2    1 o  682.194   11.978  1259.50   44.127  1231.08   61.077  1290.54   63.822  674.168   16.766  690.221   17.112 -16.05255 23.95625 
1 1 1  -24    2    2 o  808.964   19.775  1774.32   86.444   0.0000   0.0000  1774.32   86.444  ?   ?   808.964   19.775      ?      ? 
1 1 1  -24    2    3 o  625.851   11.168  1060.37   37.765  1044.82   52.858  1076.58   53.974  621.170   15.747  630.532   15.841 -9.361145 22.33666 
1 1 1  -24    2    4 o  453.680   8.6710  556.843   21.257  551.126   29.992  562.612   30.132  451.339   12.297  456.022   12.228 -4.682556 17.34202 
1 1 1  -24    2    5 o  637.286   11.339  1099.56   39.042  1084.23   54.653  1115.54   55.791  632.755   15.984  641.816   16.087 -9.060669 22.67761 
1 1 1  -24    2    6 o   83.076   8.7532   18.970   3.7925   22.774   5.4696   15.447   5.2632   91.760   11.031   74.392   13.594 17.36820 17.50640 
1 1 1  -24    2    7 o  1660.64   19.809  7503.07  177.740  7447.22  249.426  7560.69  253.344  1654.41   27.900  1666.87   28.127 -12.46082 39.61761 
1 1 1  -24    2    8 o  857.338   10.460  1989.23   48.446  1961.78   67.598  2018.22   69.467  851.271   14.695  863.405   14.889 -12.13440 20.91996 
1 1 1  -24    2    9 o  730.263   9.0385  1442.64   35.660  1424.11   49.831  1462.08   51.051  725.466   12.712  735.061   12.853 -9.594482 18.07694 
1 1 1  -24    2   10 o   74.982   10.409   15.751   4.0667   15.627   5.7594   15.875   5.7430   74.671   14.797   75.292   14.643 -0.6205521 20.81718 
1 1 1  -24    2   11 o  217.171   4.9911  127.504   5.8559  128.333   8.2158  126.648   8.3489  217.889   6.9779  216.452   7.1381 1.437653 9.982144 
1 1 1  -24    2   12 o  823.258   10.095  1831.12   44.837  1771.25   61.343  1899.79   65.697  808.869   14.035  837.647   14.514 -28.77838 20.19003 
1 1 1  -24    2   13 o  264.409   5.0899  188.910   7.2703  192.426   10.434  185.592   10.136  266.798   7.2372  262.019   7.1590 4.778931 10.17984 
1 1 1  -24    2   14 o  725.288   9.0144  1423.83   35.329  1424.14   50.031  1423.53   49.895  725.364   12.764  725.212   12.732 0.1514282 18.02882 
1 1 1  -24    2   15 o  478.892   6.4899  620.118   16.792  627.186   23.992  613.331   23.510  481.564   9.2199  476.220   9.1361 5.344452 12.97976 
1 1 1  -24    2   16 o  799.857   9.8523  1732.54   42.582  1740.30   60.503  1724.92   59.940  801.628   13.967  798.086   13.899 3.541565 19.70456 
1 1 1  -24    2   17 o  669.425   8.4338  1212.82   30.507  1218.47   43.375  1207.29   42.914  670.965   11.963  667.885   11.891 3.079346 16.86762 
1 1 1  -24    2   18 o  529.985   7.0083  757.596   20.028  792.282   29.513  727.986   27.268  541.186   10.092  518.785   9.7271 22.40161 14.01663 
1 1 1  -24    2   19 o  480.784   6.5853  624.692   17.101  608.887   23.756  641.690   24.637  474.480   9.2655  487.088   9.3602 -12.60834 13.17053 
1 1 1  -24    2   20 o  435.061   6.2161  511.610   14.607  502.907   20.307  520.942   21.028  431.233   8.7145  438.890   8.8666 -7.657318 12.43220 
1 1 1  -24    2   21 o  346.850   5.6801  325.318   10.645  325.563   15.141  325.079   14.970  346.977   8.0752  346.723   7.9903 0.2546692 11.36022 
1 1 1  -24    2   22 o  399.539   6.0724  431.196   13.101  446.415   18.964  417.302   18.120  406.273   8.6383  392.806   8.5369 13.46634 12.14487 
1 1 1  -24    2   23 o  216.615   6.2272  126.957   7.2824  128.109   10.112  125.716   10.497  217.641   8.5979  215.589   9.0106 2.052490 12.45447 
1 1 1  -24    2   24 o  330.410   5.8624  294.131   10.446  277.262   14.237  313.802   15.374  320.190   8.2286  340.630   8.3524 -20.44064 11.72487 
1 1 1  -24    2   25 o  416.760   6.2287  469.679   14.022  463.402   19.512  476.381   20.164  413.887   8.7244  419.633   8.8923 -5.746094 12.45747 
1 1 1  -24    2   26 o  511.050   7.0264  706.804   19.402  715.117   27.634  698.722   27.248  514.012   9.9489  508.088   9.9247 5.924225 14.05274 
1 1 1  -24    2   27 o   94.992   16.955   25.236   8.3838   25.236   8.3838   0.0000   0.0000   94.992   16.955  ?   ?       ?      ? 
1 1 1  -24    2   28 o  518.740   7.0580  726.914   19.758  757.433   28.871  700.030   27.096  528.947   10.101  508.532   9.8607 20.41476 14.11595 
1 1 1  -24    2   29 o  229.598   8.9711  142.694   11.130   0.0000   0.0000  142.694   11.130  ?   ?   229.598   8.9711      ?      ? 
1 1 1  -24    2   30 o  155.047   7.7347   65.543   6.4397   70.179   8.8445   60.313   9.3947  160.949   10.169  149.145   11.657 11.80418 15.46935 
1 1 1  -24    2   31 o  236.361   6.0853  151.228   7.7706  152.147   11.119  150.350   10.864  237.059   8.6801  235.664   8.5311 1.395599 12.17061 
1 1 1  -24    2   32 o  220.001   7.7260  128.912   8.7481  123.934   10.738  138.739   15.086  213.903   9.2900  226.100   12.347 -12.19716 15.45192 
1 1 1  -24    2   35 o  281.585   7.0473  214.546   10.091  213.404   12.322  216.869   17.582  280.650   8.1253  282.521   11.517 -1.871307 14.09470 
1 1 1  -24    2   36 o  376.866   5.9526  384.733   12.117  375.705   16.845  394.414   17.444  372.294   8.3733  381.437   8.4631 -9.143707 11.90526 
1 1 1  -24    2   37 o  394.949   6.0947  423.064   13.007  427.237   18.494  418.980   18.296  396.875   8.6235  393.023   8.6150 3.852264 12.18947 
1 1 1  -24    2   38 o   57.866   14.341   8.2938   5.5397   8.1203   7.7739   8.4728   7.8961   57.420   20.197   58.313   20.364 -0.8922958 28.68136 
1 1 1  -24    2   39 f  259.027   5.6822  181.953   7.9489  184.196   11.462  179.874   11.033  260.550   8.1414  257.503   7.9289 3.046722 11.36440 
1 1 1  -24    2   40 o  219.398   5.8315  130.591   6.9105  125.352   9.6570  136.089   9.8931  214.882   8.3168  223.914   8.1765 -9.031738 11.66291 
1 1 1  -24    2   41 o  103.362   10.305   30.010   5.4889   37.480   7.8464   22.851   7.6812  117.058   12.405   89.666   16.460 27.39207 20.61051 
1 1 1  -24    2   42 o  184.855   6.3900   93.097   6.3752   90.999   9.1799   95.052   8.8604  182.801   9.2933  186.908   8.7727 -4.106995 12.77996 
1 1 1  -24    2   43 o  276.315   5.6715  207.561   8.4672  211.991   12.036  203.220   11.914  279.243   7.9762  273.386   8.0650 5.856995 11.34302 
1 1 1  -24    2   44 o  308.911   5.7328  259.501   9.5671  266.504   13.701  252.836   13.365  312.979   8.1010  304.844   8.1137 8.134827 11.46552 
1 1 1  -24    2   45 o  212.338   5.9711  122.402   6.8366  115.271   9.3071  130.758   10.075  205.663   8.3747  219.012   8.5135 -13.34860 11.94215 
1 1 1  -24    2   46 o  234.837   5.7675  150.488   7.3099  142.124   10.347  158.822   10.328  228.256   8.3891  241.419   7.9171 -13.16283 11.53507 
1 1 1  -24    2   47 o   50.319   13.014   4.9791   4.9708   10.080   7.0340  -0.1102   7.0257   59.839   19.199   40.799   17.574 19.04075 26.02786 
1 1 1  -24    2   48 o   35.498   11.555  -4.8517   5.1038  -5.1122   7.4332  -4.6194   7.0202   35.868   16.533   35.128   16.146 0.7403831 23.10936 
1 1 1  -24    2   49 o  221.664   5.9357  134.397   7.1070  129.451   9.9169  139.620   10.190  217.459   8.4394  225.870   8.3490 -8.411072 11.87139 
1 1 1  -24    2   50 o   89.864   11.131   23.212   5.2462   27.407   7.5914   19.377   7.2584   98.734   14.229   80.993   17.120 17.74072 22.26114 
1 1 1  -24    2   51 o  210.352   6.2454  121.211   7.0855  131.777   10.344  111.871   9.7254  218.996   8.7411  201.708   8.9227 17.28812 12.49083 
1 1 1  -24    2   52 o  141.093   8.0142   55.258   6.1006   58.001   8.9401   52.867   8.3457  144.315   11.464  137.872   11.202 6.442596 16.02847 
1 1 1  -24    2   53 o  168.928   7.0247   79.144   6.4032   74.235   9.0419   84.084   9.0692  163.540   10.232  174.316   9.6281 -10.77632 14.04949 
1 1 1  -24    2   54 o   39.410   12.187  -1.8889   5.1785  -6.9914   7.3062   3.2623   7.3410   33.147   15.639   45.674   18.694 -12.52720 24.37305 
1 1 1  -24    2   55 o   40.745   12.671  -0.6027   5.3967  -0.2605   7.5022  -0.9696   7.7690   40.856   17.873   40.635   17.966 0.2216988 25.34202 
1 1 1  -24    2   56 o  182.163   7.0200   92.373   6.8976   84.958   9.5975  100.294   9.9197  174.468   10.180  189.859   9.6690 -15.39128 14.04010 
1 1 1  -24    2   57 o   53.290   13.847   6.4111   5.7264   13.173   8.1720  -0.1123   8.0266   64.648   20.689   41.931   18.411 22.71778 27.69443 
1 1 1  -24    2   58 o  200.351   6.8655  112.593   7.4254  105.858   10.355  119.721   10.653  194.059   9.8750  206.643   9.5406 -12.58359 13.73097 
1 1 1  -24    2   59 o   45.033   13.650   0.9947   6.2272   6.2892   8.6631  -4.6658   8.9576   51.312   20.558   38.753   17.963 12.55886 27.30072 
1 1 1  -24    2   62 o   56.985   14.116   8.6390   6.3286  -1.6541   8.8778   19.274   9.0239   40.383   18.408   73.587   21.406 -33.20332 28.23271 
1 1 1  -24    2   63 o   36.105   12.052  -6.7404   6.2690  -0.0376   9.0559 -12.9085   8.6871   41.372   18.755   30.837   15.140 10.53535 24.10366 
1 1 1  -24    3    1 o  283.842   5.7816  218.437   8.3924  215.856   14.380  219.770   10.335  282.539   9.4190  285.145   6.7074 -2.606750 11.56320 
1 1 1  -24    3    2 o  309.885   4.9772  258.845   8.3127  269.159   12.293  250.155   11.284  315.554   7.2092  304.217   6.8641 11.33716 9.954369 
1 1 1  -24    3    3 o  521.197   8.3971  730.888   21.994  745.721   39.299  724.123   26.540  524.906   13.855  517.488   9.4909 7.418457 16.79421 
1 1 1  -24    3    4 o  703.903   12.399  1342.38   47.161  1332.21   66.448  1352.70   66.948  701.216   17.536  706.590   17.534 -5.373596 24.79848 
1 1 1  -24    3    5 o  799.025   13.907  1729.37   60.006  1688.06   83.025  1774.55   86.824  789.073   19.472  808.978   19.862 -19.90491 27.81419 
1 1 1  -24    3    6 o  1151.53   13.844  3593.00   86.101  3526.97  119.536  3664.19  124.123  1140.58   19.395  1162.48   19.760 -21.89917 27.68763 
1 1 1  -24    3    7 o  396.528   5.6795  424.947   12.166  429.945   17.460  420.232   16.961  398.791   8.1025  394.265   7.9609 4.526184 11.35897 
1 1 1  -24    3    8 o  887.413   10.801  2131.70   51.780  2102.93   72.303  2162.00   74.189  881.279   15.183  893.547   15.365 -12.26843 21.60104 
1 1 1  -24    3    9 o  365.832   5.4295  361.582   10.730  353.278   14.943  370.421   15.416  361.499   7.6499  370.165   7.7069 -8.665436 10.85898 
1 1 1  -24    3   10 o  552.962   7.1573  826.464   21.375  841.436   30.834  812.612   29.657  557.774   10.230  548.149   10.013 9.624939 14.31451 
1 1 1  -24    3   11 o  346.105   5.3953  323.851   10.090  322.548   14.325  325.135   14.214  345.413   7.6747  346.798   7.5851 -1.384796 10.79054 
1 1 1  -24    3   12 o  477.120   6.4379  615.333   16.594  604.527   23.151  626.752   23.797  472.816   9.0611  481.425   9.1478 -8.609192 12.87577 
1 1 1  -24    3   13 o  669.482   8.4076  1212.85   30.415  1213.39   43.107  1212.33   42.921  669.627   11.913  669.338   11.867 0.2882080 16.81511 
1 1 1  -24    3   14 o  525.800   6.9312  747.232   19.682  763.541   28.420  732.203   27.283  531.304   9.8992  520.297   9.7041 11.00616 13.86231 
1 1 1  -24    3   15 o  508.516   6.7783  699.131   18.621  687.288   25.961  711.679   26.722  504.086   9.5309  512.946   9.6408 -8.859985 13.55663 
1 1 1  -24    3   16 o  756.569   9.3841  1549.81   38.364  1544.76   54.117  1554.92   54.394  755.329   13.259  757.808   13.283 -2.478394 18.76814 
1 1 1  -24    3   17 o  1303.67   15.642  4618.56  110.185  4651.67  157.045  4586.46  154.633  1308.23   22.215  1299.09   22.028 9.138794 31.28491 
1 1 1  -24    3   18 o  559.879   7.3310  848.009   22.179  847.927   31.422  848.090   31.311  559.851   10.386  559.907   10.349 -0.5639648E-01 14.66204 
1 1 1  -24    3   19 o  294.741   5.4239  234.599   8.6325  223.094   11.993  246.969   12.435  287.249   7.7264  302.232   7.6144 -14.98303 10.84788 
1 1 1  -24    3   20 o   68.967   13.476   13.285   5.2029   12.004   7.3378   14.581   7.3784   65.951   19.337   71.983   18.774 -6.032326 26.95107 
1 1 1  -24    3   21 o  218.111   5.8613  128.640   6.9078  130.475   9.8218  126.844   9.7172  219.651   8.2751  216.572   8.3033 3.078598 11.72269 
1 1 1  -24    3   22 o  305.476   5.7447  252.263   9.4807  248.160   13.242  256.578   13.580  302.929   8.0893  308.022   8.1591 -5.093079 11.48947 
1 1 1  -24    3   23 o  514.254   9.9143  715.485   27.550  715.485   27.550   0.0000   0.0000  514.254   9.9143  ?   ?       ?      ? 
1 1 1  -24    3   24 o  278.474   5.8137  209.701   8.7383  209.128   12.064  210.334   12.674  278.080   8.0284  278.868   8.4109 -0.7873230 11.62749 
1 1 1  -24    3   25 o  406.701   6.1864  447.440   13.595  450.914   19.362  444.063   19.092  408.256   8.7768  405.146   8.7208 3.109711 12.37273 
1 1 1  -24    3   26 o  559.725   7.4599  847.974   22.559  837.523   31.560  858.892   32.258  556.205   10.501  563.245   10.599 -7.040344 14.91974 
1 1 1  -24    3   27 o  134.523   8.8728   49.073   6.4428   50.041   8.9604   48.037   9.2705  135.908   12.201  133.138   12.886 2.770325 17.74562 
1 1 1  -24    3   29 o  131.224   8.5616   46.868   6.0339   48.535   8.1840   44.884   8.9314  133.819   11.318  128.629   12.850 5.189804 17.12327 
1 1 1  -24    3   30 o  616.896   8.0119  1031.55   26.705  1020.87   37.460  1042.58   38.082  613.657   11.297  620.136   11.364 -6.478760 16.02377 
1 1 1  -24    3   31 o  223.374   6.2248  135.436   7.4922  140.905   10.351  129.419   10.858  228.144   8.3965  218.605   9.1919 9.538879 12.44959 
1 1 1  -24    3   32 o  324.630   8.2460  285.980   14.461  280.631   20.561  291.216   20.343  321.605   11.831  327.654   11.490 -6.048645 16.49203 
1 1 1  -24    3   35 o  178.428   7.8031   82.135   7.1693   73.267   8.7083  100.788   12.630  164.330   9.8068  192.526   12.140 -28.19560 15.60618 
1 1 1  -24    3   36 o  365.406   5.9273  361.899   11.702  366.449   16.703  357.512   16.400  367.658   8.4074  363.154   8.3575 4.503479 11.85464 
1 1 1  -24    3   37 o  125.779   8.5489   43.048   5.7492   35.126   7.9245   51.851   8.3538  113.501   12.921  138.057   11.198 -24.55614 17.09784 
1 1 1  -24    3   38 o   95.855   10.907   25.699   5.4805   22.546   7.8089   28.760   7.6935   89.161   16.825  102.549   13.884 -13.38875 21.81347 
1 1 1  -24    3   39 o   56.880   13.063   6.6675   5.3813   15.382   7.6305  -1.9547   7.5901   73.254   19.085   40.506   17.841 32.74783 26.12586 
1 1 1  -24    3   40 o   55.812   13.636   6.8915   5.3548   1.6130   7.4687   12.475   7.6813   45.082   18.695   66.542   19.855 -21.45952 27.27121 
1 1 1  -24    3   41 o  116.538   8.9915   37.148   5.6592   38.601   8.1601   35.801   7.8552  118.732   12.719  114.345   12.713 4.386887 17.98293 
1 1 1  -24    3   42 o  396.430   6.0921  427.208   13.045  440.557   18.770  414.735   18.143  402.410   8.6319  390.449   8.5993 11.96130 12.18428 
1 1 1  -24    3   43 o  222.401   5.9708  134.277   7.1633  145.810   10.385  123.808   9.8941  231.517   8.3008  213.285   8.5848 18.23183 11.94160 
1 1 1  -24    3   44 f  106.589   9.6875   31.302   5.5627   28.123   7.7433   34.692   7.9963  100.920   14.199  112.257   13.182 -11.33613 19.37491 
1 1 1  -24    3   45 o  134.651   7.9996   50.639   5.7055   60.121   7.9159   40.387   8.2308  148.253   9.8812  121.049   12.583 27.20397 15.99926 
1 1 1  -24    3   46 o   45.037   12.854   2.3002   5.0032   5.6199   6.9274  -1.3195   7.2336   50.270   18.854   39.803   17.477 10.46674 25.70861 
1 1 1  -24    3   47 o  104.713   9.5865   30.617   5.3845   26.825   7.6897   34.264   7.5422   98.112   14.504  111.314   12.539 -13.20257 19.17292 
1 1 1  -24    3   48 o   93.320   11.028   24.744   5.4247   27.706   7.8983   22.100   7.4635   99.448   14.698   87.191   16.444 12.25707 22.05511 
1 1 1  -24    3   49 o  121.742   8.6142   41.158   5.6660   40.586   8.0394   41.722   7.9869  120.868   12.309  122.617   12.054 -1.749092 17.22836 
1 1 1  -24    3   50 o  170.469   6.6176   79.861   6.0932   82.617   8.7688   77.288   8.4731  173.309   9.3633  167.629   9.3541 5.679291 13.23524 
1 1 1  -24    3   51 o  199.621   6.3635  109.472   6.8593  115.310   9.8832  104.047   9.5275  204.776   8.9316  194.467   9.0666 10.30960 12.72706 
1 1 1  -24    3   52 o  163.034   7.2459   72.999   6.3344   61.393   8.5773   86.923   9.3947  148.729   10.672  177.339   9.8037 -28.61003 14.49186 
1 1 1  -24    3   53 o   90.058   11.711   23.917   5.5510   27.091   7.8602   20.759   7.8404   97.301   14.950   82.814   18.032 14.48701 23.42286 
1 1 1  -24    3   54 o   38.780   12.138  -2.3944   5.2344  -7.1430   7.4222   2.3044   7.3832   33.331   15.737   44.229   18.485 -10.89780 24.27602 
1 1 1  -24    3   55 f   87.479   12.677   23.574   5.8819   16.265   8.4301   30.509   8.2108   71.972   20.619  102.985   14.754 -31.01225 25.35399 
1 1 1  -24    3   56 o   41.836   13.004  -1.1739   5.8170   2.8950   8.2844  -5.1312   8.1699   46.650   19.545   37.023   17.159 9.626640 26.00851 
1 1 1  -24    3   57 o  160.830   7.4522   72.499   6.4388   83.408   9.3219   62.546   8.9040  172.689   9.9897  148.971   11.061 23.71841 14.90435 
1 1 1  -24    3   58 o  152.731   8.1659   66.396   6.6625   54.011   9.1332   80.483   9.7405  136.970   12.340  168.493   10.698 -31.52263 16.33170 
1 1 1  -24    3   59 o   38.128   12.834  -8.4395   7.0259 -14.2838   12.236  -5.5648   8.5816   39.146   18.935   37.110   17.329 2.036354 25.66799 
1 1 1  -24    3   62 o   40.767   13.182  -2.2392   6.5162   0.3953   9.4805  -4.5984   8.9712   43.629   19.533   37.904   17.706 5.725174 26.36372 
1 1 1  -24    3   63 o   48.892   14.419   5.5970   6.6045   11.174   9.4079   0.1782   9.2738   55.989   21.730   41.794   18.960 14.19504 28.83854 
1 1 1  -24    4    1 f  641.732   8.0728  1114.04   27.994  1110.49   39.634  1117.58   39.545  640.709   11.448  642.754   11.386 -2.044983 16.14562 
1 1 1  -24    4    2 o  275.588   4.8754  205.381   7.2534  203.085   10.457  207.511   10.069  274.099   7.0603  277.076   6.7254 -2.976654 9.750836 
1 1 1  -24    4    3 o  955.006   14.280  2456.56   68.622  2520.27  122.452  2427.39   82.854  963.322   23.524  946.689   16.196 16.63257 28.56032 
1 1 1  -24    4    4 o  680.902   12.085  1256.02   44.459  1260.14   63.370  1252.03   62.392  681.989   17.196  679.815   16.984 2.174622 24.16936 
1 1 1  -24    4    5 o  1269.51   21.628  4392.03  148.345  4344.59  207.691  4441.44  211.956  1262.57   30.442  1276.46   30.729 -13.88965 43.25513 
1 1 1  -24    4    6 o  364.175   6.6766  359.284   12.480  360.735   15.422  356.531   21.245  365.291   7.8128  363.059   10.829 2.231812 13.35327 
1 1 1  -24    4    7 o  300.959   5.0209  244.249   8.1511  254.482   11.964  235.385   11.135  306.825   7.2162  295.092   6.9831 11.73212 10.04178 
1 1 1  -24    4    8 o  564.017   7.2681  860.280   22.148  865.843   31.654  854.943   31.000  565.799   10.353  562.235   10.204 3.564270 14.53616 
1 1 1  -24    4    9 o  584.420   7.5062  923.737   23.703  913.152   33.307  934.600   33.740  581.028   10.608  587.811   10.622 -6.783020 15.01236 
1 1 1  -24    4   10 o  716.110   8.9169  1387.23   34.496  1363.96   48.105  1411.86   49.493  709.937   12.540  722.282   12.681 -12.34576 17.83380 
1 1 1  -24    4   11 o  588.737   7.5580  937.274   24.039  921.993   33.554  953.388   34.456  583.812   10.636  593.662   10.741 -9.849609 15.11602 
1 1 1  -24    4   12 o  452.673   6.2507  554.125   15.290  552.248   21.637  555.996   21.609  451.907   8.8607  453.440   8.8190 -1.532532 12.50145 
1 1 1  -24    4   13 o  771.614   9.5351  1611.83   39.754  1596.96   55.802  1627.15   56.648  768.005   13.446  775.222   13.523 -7.216675 19.07018 
1 1 1  -24    4   14 o  624.154   7.9501  1054.01   26.810  1062.16   38.265  1046.16   37.575  626.519   11.303  621.790   11.183 4.728333 15.90029 
1 1 1  -24    4   15 o  507.621   6.7907  696.542   18.619  681.756   25.888  712.389   26.800  502.047   9.5424  513.195   9.6641 -11.14774 13.58134 
1 1 1  -24    4   16 o  423.296   6.0776  484.348   13.896  491.448   19.979  477.694   19.341  426.297   8.6731  420.296   8.5162 6.001038 12.15517 
1 1 1  -24    4   17 o  450.386   8.9099  548.576   21.684   0.0000   0.0000  548.576   21.684  ?   ?   450.386   8.9099      ?      ? 
1 1 1  -24    4   18 o  717.550   8.9887  1393.56   34.849  1378.52   48.836  1409.17   49.744  713.611   12.665  721.489   12.759 -7.878113 17.97750 
1 1 1  -24    4   19 o  368.431   5.8142  367.058   11.575  367.712   16.409  366.411   16.332  368.757   8.2347  368.105   8.2105 0.6520691 11.62849 
1 1 1  -24    4   20 f  273.448   5.5728  202.185   8.2338  202.844   11.730  201.546   11.560  273.886   7.9258  273.011   7.8362 0.8750916 11.14565 
1 1 1  -24    4   21 o  198.133   6.2356  105.448   6.6363  123.169   9.8012   90.447   9.0179  213.406   8.4993  182.860   9.1263 30.54550 12.47110 
1 1 1  -24    4   22 o  389.416   6.0288  409.951   12.683  402.375   17.697  417.952   18.186  385.720   8.4907  393.112   8.5613 -7.392151 12.05769 
1 1 1  -24    4   23 o  394.023   6.1245  419.785   13.037  426.230   18.673  413.654   18.211  396.971   8.7048  391.075   8.6176 5.895844 12.24896 
1 1 1  -24    4   24 o  497.530   6.8766  669.788   18.487  673.047   26.297  666.604   25.994  498.724   9.7579  496.336   9.6919 2.387787 13.75317 
1 1 1  -24    4   25 o  377.624   6.0619  385.810   12.369  388.128   17.422  383.454   17.564  378.771   8.5118  376.477   8.6335 2.294495 12.12389 
1 1 1  -24    4   26 o  232.655   6.1050  146.496   7.6695  147.978   10.675  144.915   11.026  233.879   8.4468  231.432   8.8168 2.446503 12.20999 
1 1 1  -24    4   27 o  371.884   6.0180  374.110   12.092  370.660   16.931  377.703   17.275  370.137   8.4649  373.631   8.5562 -3.494446 12.03593 
1 1 1  -24    4   28 f  136.377   8.2498   50.410   6.0748   50.556   8.4329   50.253   8.7586  136.591   11.425  136.163   11.904 0.4280243 16.49958 
1 1 1  -24    4   29 o  343.844   5.8622  319.931   10.891  315.654   15.263  324.368   15.545  341.504   8.2710  346.183   8.3097 -4.678864 11.72436 
1 1 1  -24    4   30 o  139.665   8.2737   53.755   6.1054   66.191   8.5939   41.082   8.6752  156.302   10.175  123.028   13.049 33.27383 16.54741 
1 1 1  -24    4   31 o  103.221   14.815   28.968   8.2632   28.968   8.2632   0.0000   0.0000  103.221   14.815  ?   ?       ?      ? 
1 1 1  -24    4   32 o  332.355   8.3626  296.146   14.904  329.054   22.868  271.847   19.651  348.170   12.155  316.539   11.488 31.63055 16.72511 
1 1 1  -24    4   34 o  350.748   11.603  334.234   21.992   0.0000   0.0000  334.234   21.992  ?   ?   350.748   11.603      ?      ? 
1 1 1  -24    4   35 o  122.831   8.9936   41.139   5.9576   42.960   8.3003   39.203   8.5562  125.675   12.222  119.987   13.196 5.688263 17.98710 
1 1 1  -24    4   36 o  193.974   6.3619  102.183   6.6541  110.278   9.4370   94.179   9.3839  201.652   8.6605  186.297   9.3216 15.35472 12.72385 
1 1 1  -24    4   37 o  545.148   7.3261  806.596   21.554  834.278   31.454  782.089   29.594  553.902   10.509  536.393   10.210 17.50842 14.65220 
1 1 1  -24    4   38 o  144.763   7.5004   56.953   5.8418   50.007   8.0938   64.507   8.4402  135.516   11.053  154.009   10.142 -18.49350 15.00076 
1 1 1  -24    4   39 o  223.199   6.1099  135.218   7.3666  140.273   10.511  130.338   10.328  227.307   8.5571  219.090   8.7235 8.217758 12.21978 
1 1 1  -24    4   40 o  142.025   7.8489   55.210   5.9842   47.849   8.4420   62.645   8.4839  132.390   11.801  151.661   10.352 -19.27176 15.69789 
1 1 1  -24    4   41 o  126.399   8.5903   43.711   5.8598   40.793   8.2062   46.747   8.3701  122.056   12.442  130.742   11.848 -8.685753 17.18051 
1 1 1  -24    4   42 o   33.835   11.132  -8.1853   5.2082 -15.4507   7.6736  -1.9798   7.0918   28.865   14.183   38.805   17.161 -9.940002 22.26351 
1 1 1  -24    4   43 o  107.769   9.4140   31.890   5.4675   32.673   8.0715   31.225   7.4325  108.932   13.712  106.606   12.902 2.326248 18.82795 
1 1 1  -24    4   44 o  266.479   5.7133  193.314   8.2237  192.001   11.770  194.566   11.495  265.565   8.2023  267.393   7.9554 -1.828217 11.42652 
1 1 1  -24    4   45 o   60.326   14.128   9.9674   5.3733   11.070   7.7205   8.9313   7.4829   62.730   20.113   57.923   19.846 4.806431 28.25574 
1 1 1  -24    4   46 o   80.248   12.208   18.748   5.3416   27.164   7.6431   10.712   7.4682   98.850   14.309   61.646   19.783 37.20426 24.41522 
1 1 1  -24    4   47 o  183.596   6.5676   92.720   6.4826   84.053   9.3097  100.878   9.0321  175.080   9.8404  192.112   8.7006 -17.03218 13.13518 
1 1 1  -24    4   48 o  278.540   5.7622  212.023   8.6708  214.961   12.425  209.234   12.106  280.400   8.2000  276.680   8.0975 3.719910 11.52430 
1 1 1  -24    4   49 o  161.095   7.0244   71.341   6.1086   73.243   8.8813   69.633   8.4153  163.088   10.078  159.103   9.7882 3.984619 14.04885 
1 1 1  -24    4   50 o  186.571   6.5329   95.939   6.5723   89.962   9.3704  101.727   9.2206  180.708   9.5961  192.433   8.8673 -11.72481 13.06576 
1 1 1  -24    4   51 o   45.706   13.430   2.2052   5.5327  -0.1126   7.9810   4.3496   7.6768   42.769   18.576   48.644   19.399 -5.875103 26.85916 
1 1 1  -24    4   52 o   50.006   13.840   5.1681   5.4561   3.8138   7.6539   6.5674   7.7798   47.528   19.224   52.485   19.914 -4.956848 27.67927 
1 1 1  -24    4   53 o  104.961   10.439   31.440   5.8972   35.399   8.5475   27.843   8.1468  111.475   14.190   98.448   15.314 13.02722 20.87766 
1 1 1  -24    4   54 o   57.409   13.827   8.6201   5.4836   14.823   8.0345   3.2111   7.5027   68.978   20.237   45.841   18.847 23.13691 27.65351 
1 1 1  -24    4   55 o  131.186   8.7289   48.675   6.1777   46.845   8.8707   50.398   8.6085  128.590   12.766  133.781   11.908 -5.190811 17.45786 
1 1 1  -24    4   56 o   80.966   13.773   20.489   5.9406   23.007   8.8487   18.422   8.0156   85.492   19.576   76.440   19.379 9.052437 27.54560 
1 1 1  -24    4   57 o  229.425   6.5555  146.591   8.1248  151.187   11.542  142.077   11.439  233.068   9.1644  225.783   9.3761 7.285187 13.11092 
1 1 1  -24    4   58 o   81.447   12.931   20.874   6.1249   8.9819   8.3703   34.580   8.9865   55.344   20.731  107.550   15.463 -52.20625 25.86259 
1 1 1  -24    4   59 o  128.312   14.498   53.645   9.3823   37.500   13.367   69.324   13.173  104.363   24.176  152.262   16.010 -47.89867 28.99690 
1 1 1  -24    4   61 o   57.918   24.390   11.414   13.009   11.414   13.009   0.0000   0.0000   57.918   24.390  ?   ?       ?      ? 
1 1 1  -24    4   62 o  123.716   10.633   47.144   7.0065   39.551   10.004   54.453   9.8158  112.419   16.468  135.012   13.454 -22.59277 21.26570 
1 1 1  -24    4   63 o   45.190   13.847   3.5142   6.4161  -0.7230   9.5223   7.0375   8.6831   41.205   18.889   49.175   20.253 -7.969414 27.69465 
1 1 1  -24    5    1 o  247.043   6.6659  164.966   8.8985   0.0000   0.0000  164.966   8.8985  ?   ?   247.043   6.6659      ?      ? 
1 1 1  -24    5    2 o  494.202   6.5864  660.103   17.584  643.212   24.542  677.921   25.207  487.709   9.3125  500.695   9.3167 -12.98575 13.17286 
1 1 1  -24    5    3 f  818.998   12.323  1826.93   51.661  1788.74   88.125  1846.93   63.768  812.040   20.083  825.956   14.288 -13.91595 24.64699 
1 1 1  -24    5    4 o  296.741   7.4024  237.973   11.831  240.540   17.497  235.811   16.058  298.202   10.858  295.280   10.064 2.921936 14.80486 
1 1 1  -24    5    5 o  1034.12   17.756  2907.19   99.212  2878.38  139.197  2936.94  141.445  1028.94   25.035  1039.31   25.186 -10.37476 35.51183 
1 1 1  -24    5    6 o  624.482   9.7406  1049.77   30.848  1038.75   37.519  1072.75   54.192  619.657   11.205  629.307   15.936 -9.650024 19.48127 
1 1 1  -24    5    7 o  727.108   11.107  1426.32   40.979  1415.54   49.905  1448.65   71.801  723.217   12.770  731.000   18.177 -7.783020 22.21441 
1 1 1  -24    5    8 o  1172.64   14.106  3730.24   89.373  3697.48  125.376  3764.08  127.435  1167.43   19.875  1177.86   20.022 -10.43005 28.21140 
1 1 1  -24    5    9 o  546.925   7.1419  808.692   21.102  791.861   29.439  826.477   30.263  541.077   10.069  552.774   10.131 -11.69653 14.28378 
1 1 1  -24    5   10 o  621.230   7.9119  1043.38   26.548  1018.71   36.882  1069.91   38.244  613.620   11.123  628.841   11.255 -15.22070 15.82377 
1 1 1  -24    5   11 o  771.799   9.5498  1612.71   39.827  1603.06   56.130  1622.50   56.520  769.474   13.499  774.124   13.512 -4.650269 19.09963 
1 1 1  -24    5   12 o  290.855   5.2182  228.695   8.1971  218.915   11.520  238.725   11.666  284.554   7.4923  297.156   7.2652 -12.60208 10.43633 
1 1 1  -24    5   13 o  795.855   9.8242  1713.44   42.216  1671.03   58.316  1760.14   61.192  785.540   13.738  806.170   14.047 -20.62927 19.64833 
1 1 1  -24    5   14 f  713.984   8.9309  1379.62   34.451  1360.83   48.165  1399.30   49.296  709.015   12.571  718.954   12.689 -9.939270 17.86188 
1 1 1  -24    5   15 o  319.300   5.4674  275.683   9.4322  271.108   13.350  280.244   13.328  316.653   7.8022  321.948   7.6612 -5.295319 10.93471 
1 1 1  -24    5   16 o  640.588   8.1682  1109.89   28.266  1088.06   39.377  1133.09   40.598  634.100   11.492  647.077   11.611 -12.97644 16.33637 
1 1 1  -24    5   17 o  998.074   12.126  2700.47   65.386  2724.54   93.471  2677.41   91.499  1002.41   17.256  993.742   17.039 8.663757 24.25125 
1 1 1  -24    5   18 o  663.515   8.4372  1191.59   30.250  1193.02   42.939  1190.19   42.623  663.905   11.969  663.125   11.895 0.7800903 16.87449 
1 1 1  -24    5   19 o  926.479   11.325  2325.73   56.668  2367.38   81.712  2287.13   78.658  934.434   16.183  918.524   15.848 15.90979 22.65005 
1 1 1  -24    5   20 o  237.220   5.9516  152.438   7.6142  142.281   10.812  162.430   10.724  229.359   8.7240  245.080   8.0980 -15.72081 11.90318 
1 1 1  -24    5   21 o  372.285   6.0338  374.573   12.134  385.214   17.445  364.600   16.888  377.403   8.5540  367.168   8.5121 10.23486 12.06757 
1 1 1  -24    5   22 o  232.060   6.1090  145.583   7.6583  142.922   10.675  148.405   10.992  229.877   8.5942  234.242   8.6844 -4.365234 12.21795 
1 1 1  -24    5   23 o  302.472   5.8328  246.953   9.5236  235.930   13.116  259.244   13.850  295.348   8.2185  309.595   8.2790 -14.24698 11.66560 
1 1 1  -24    5   24 o  157.949   11.209   67.553   9.5666   67.553   9.5666   0.0000   0.0000  157.949   11.209  ?   ?       ?      ? 
1 1 1  -24    5   26 o  133.066   8.8475   47.963   6.3596   47.420   8.8618   48.540   9.1321  132.292   12.396  133.839   12.627 -1.547058 17.69502 
1 1 1  -24    5   27 o  549.882   7.3723  818.146   21.894  799.206   30.361  838.668   31.602  543.267   10.342  556.497   10.509 -13.23041 14.74450 
1 1 1  -24    5   28 o   43.754   12.906  -5.1218   5.7962 -14.5311   7.7027   7.1613   8.8007   29.747   14.532   57.761   21.332 -28.01398 25.81108 
1 1 1  -24    5   29 o  621.017   8.0817  1045.53   27.119  1051.18   38.580  1040.02   38.128  622.667   11.466  619.366   11.392 3.301270 16.16335 
1 1 1  -24    5   30 o  133.676   8.5807   48.593   6.1833   51.391   8.6353   45.648   8.8578  137.658   11.609  129.694   12.639 7.964005 17.16139 
1 1 1  -24    5   31 o  251.687   8.3439  171.913   11.339  173.108   15.758  170.631   16.329  252.616   11.544  250.757   12.051 1.859085 16.68786 
1 1 1  -24    5   32 o  187.036   14.806   95.225   14.964   0.0000   0.0000   95.225   14.964  ?   ?   187.036   14.806      ?      ? 
1 1 1  -24    5   34 o  243.092   8.4550  160.694   11.057  141.396   15.423  181.104   15.861  227.999   12.518  258.185   11.369 -30.18655 16.91007 
1 1 1  -24    5   35 o  453.302   6.5037  557.311   15.930  550.816   22.358  564.007   22.702  450.624   9.1818  455.981   9.2136 -5.357483 13.00749 
1 1 1  -24    5   36 o  274.773   5.7432  204.196   8.5147  189.869   11.739  220.102   12.369  264.617   8.2095  284.929   8.0338 -20.31146 11.48638 
1 1 1  -24    5   37 o  302.243   5.7420  247.892   9.3749  244.484   13.372  251.187   13.147  300.181   8.2437  304.306   7.9952 -4.125275 11.48403 
1 1 1  -24    5   38 o  360.966   5.9301  353.627   11.567  354.136   16.325  353.115   16.391  361.231   8.3631  360.701   8.4097 0.5302124 11.86023 
1 1 1  -24    5   39 o  236.383   5.8595  151.321   7.4754  142.698   10.293  160.946   10.875  229.271   8.3082  243.495   8.2649 -14.22417 11.71899 
1 1 1  -24    5   40 o   85.576   11.966   20.907   5.3372   21.324   7.5510   20.491   7.5449   86.483   16.763   84.669   17.080 1.814423 23.93176 
1 1 1  -24    5   41 o  119.132   8.9183   38.963   5.7314   36.938   8.1834   40.912   8.0297  116.029   13.052  122.235   12.157 -6.205994 17.83650 
1 1 1  -24    5   42 o  168.862   6.7878   77.732   6.1933   76.590   8.7453   78.882   8.7721  167.608   9.6558  170.115   9.5427 -2.507431 13.57565 
1 1 1  -24    5   43 o   63.003   13.503   11.075   5.0997   14.315   7.2908   7.9722   7.1358   70.269   18.823   55.737   19.365 14.53197 27.00539 
1 1 1  -24    5   44 o  154.270   7.1088   65.438   5.8902   58.261   8.4313   72.280   8.2323  145.840   10.699  162.701   9.3636 -16.86151 14.21755 
1 1 1  -24    5   45 o  136.221   7.7644   50.952   5.7120   50.840   7.9422   51.072   8.2211  136.102   10.799  136.340   11.159 -0.2384491 15.52872 
1 1 1  -24    5   46 o  134.677   7.7853   49.880   5.6562   46.227   7.9415   53.641   8.0580  129.601   11.340  139.754   10.670 -10.15302 15.57060 
1 1 1  -24    5   47 o  158.882   7.2734   69.152   6.2344   73.300   9.1389   65.541   8.5264  163.307   10.356  154.457   10.216 8.849869 14.54685 
1 1 1  -24    5   48 o   63.631   13.860   11.775   5.2324   12.864   7.6504   10.819   7.1723   66.039   19.840   61.223   19.360 4.815861 27.72039 
1 1 1  -24    5   49 o  184.822   6.4971   93.892   6.4660   84.177   9.0660  103.950   9.2248  174.949   9.5900  194.695   8.7683 -19.74655 12.99425 
1 1 1  -24    5   50 o   54.974   13.844   7.9352   5.2653   5.5505   7.6484   10.083   7.2595   50.705   19.617   59.243   19.540 -8.538685 27.68776 
1 1 1  -24    5   51 o  105.169   9.9065   31.235   5.6275   30.695   8.0258   31.757   7.8928  104.195   14.254  106.143   13.761 -1.947762 19.81295 
1 1 1  -24    5   52 o   66.113   14.118   13.231   5.4602   14.182   8.0005   12.402   7.4706   68.108   20.250   64.118   19.679 3.990829 28.23655 
1 1 1  -24    5   53 o  126.243   8.6388   44.837   5.8911   46.461   8.3809   43.250   8.2824  128.566   12.064  123.921   12.369 4.645119 17.27763 
1 1 1  -24    5   54 o   43.400   12.958   0.7308   5.3656   5.2784   7.9143  -3.1374   7.2992   49.930   19.765   36.870   16.762 13.06036 25.91588 
1 1 1  -24    5   55 o  112.585   9.5994   36.214   5.8287   35.156   8.4212   37.186   8.0757  110.784   14.067  114.386   13.065 -3.601982 19.19881 
1 1 1  -24    5   56 o   49.622   13.930   5.3129   5.6223   3.4933   8.1191   6.9894   7.7931   47.022   19.495   52.222   19.903 -5.199806 27.85998 
1 1 1  -24    5   57 o  112.067   10.755   36.304   6.4106   46.218   9.6683   28.525   8.5637  126.095   14.189   98.038   16.165 28.05655 21.50927 
1 1 1  -24    5   58 o   99.364   12.624   31.159   6.5313   25.465   9.3821   36.513   9.0977   88.087   20.148  110.642   15.217 -22.55523 25.24875 
1 1 1  -24    5   61 o   53.489   23.821   5.9414   13.902   5.9414   13.902   0.0000   0.0000   53.489   23.821  ?   ?       ?      ? 
1 1 1  -24    5   62 f   36.238   12.216  -7.3204   6.5878  -7.3790   9.8654  -7.2731   8.8502   37.271   17.755   35.205   16.783 2.065952 24.43181 
1 1 1  -24    6    1 f  625.716   7.9500  1059.11   26.874  1066.32   38.484  1052.24   37.544  627.788   11.344  623.644   11.141 4.143860 15.90000 
1 1 1  -24    6    2 o  478.243   6.4689  618.469   16.716  607.901   23.544  629.211   23.738  474.122   9.1895  482.365   9.1071 -8.242401 12.93778 
1 1 1  -24    6    3 o  321.743   6.7155  284.376   10.756  268.468   19.166  291.691   12.996  315.008   11.260  328.479   7.3218 -13.47034 13.43092 
1 1 1  -24    6    4 o  609.078   11.102  1003.21   36.477  1033.56   53.475  976.802   49.884  617.644   16.022  600.512   15.373 17.13232 22.20448 
1 1 1  -24    6    5 o  932.048   16.122  2360.34   81.194  2362.61  115.336  2358.11  114.322  932.472   22.890  931.624   22.709 0.8478394 32.24360 
1 1 1  -24    6    6 o  447.102   7.7138  552.653   17.761  499.549   29.248  583.673   22.354  429.618   12.599  464.587   8.9044 -34.96893 15.42770 
1 1 1  -24    6    7 o  653.405   10.121  1158.96   33.874  1165.04   41.777  1147.30   57.873  656.152   11.783  650.658   16.460 5.493652 20.24281 
1 1 1  -24    6    8 o  170.064   7.5549   83.478   6.4562   97.743   8.2473   60.901   10.376  190.132   8.0273  149.995   12.801 40.13649 15.10980 
1 1 1  -24    6    9 o  900.275   10.997  2193.73   53.457  2140.25   73.893  2252.46   77.431  888.801   15.385  911.749   15.716 -22.94739 21.99350 
1 1 1  -24    6   10 o  289.546   5.2599  226.215   8.2113  233.036   12.091  220.376   11.187  293.584   7.6217  285.507   7.2509 8.076141 10.51980 
1 1 1  -24    6   11 o  587.824   7.5926  934.789   24.116  923.435   33.913  946.405   34.300  584.213   10.743  591.435   10.732 -7.222229 15.18511 
1 1 1  -24    6   12 o  1205.03   14.505  3939.71   94.380  3852.47  130.476  4035.46  136.688  1191.12   20.272  1218.93   20.752 -27.81445 29.01018 
1 1 1  -24    6   13 o  349.301   5.5977  328.313   10.539  307.163   14.300  353.457   15.592  337.049   7.8516  361.553   7.9807 -24.50372 11.19547 
1 1 1  -24    6   14 o  527.409   7.0238  752.393   20.017  745.165   28.215  759.719   28.402  524.857   9.9484  529.960   9.9180 -5.102661 14.04766 
1 1 1  -24    6   15 o  624.272   8.0171  1054.30   27.041  1038.62   37.866  1070.61   38.628  619.540   11.311  629.005   11.365 -9.464905 16.03417 
1 1 1  -24    6   16 o  746.467   9.3234  1508.12   37.593  1527.63   54.043  1489.82   52.327  751.127   13.315  741.806   13.054 9.320862 18.64675 
1 1 1  -24    6   17 o  504.745   6.8737  689.068   18.746  678.020   26.341  700.406   26.685  500.645   9.7368  508.845   9.7049 -8.199738 13.74738 
1 1 1  -24    6   18 o  451.013   6.4297  550.209   15.669  548.021   22.214  552.376   22.106  450.118   9.1331  451.907   9.0525 -1.789307 12.85931 
1 1 1  -24    6   19 o  367.975   5.9355  365.278   11.783  381.864   17.279  350.862   16.109  375.759   8.5100  360.192   8.2765 15.56653 11.87100 
1 1 1  -24    6   20 o  464.762   6.6086  583.407   16.584  561.027   22.908  608.051   24.038  455.413   9.3089  474.111   9.3829 -18.69724 13.21714 
1 1 1  -24    6   21 o  183.025   6.9397   90.575   6.8610   88.613   9.5521   92.666   9.8612  180.980   9.7674  185.070   9.8606 -4.090424 13.87930 
1 1 1  -24    6   22 o  465.434   6.6334  586.100   16.683  582.984   23.608  589.208   23.579  464.197   9.4117  466.672   9.3504 -2.475311 13.26687 
1 1 1  -24    6   23 o  479.278   6.7368  621.481   17.445  610.688   24.471  632.635   24.877  475.047   9.5331  483.509   9.5214 -8.461700 13.47359 
1 1 1  -24    6   24 o  350.112   5.9927  331.051   11.328  316.413   15.645  347.181   16.423  341.992   8.4659  358.232   8.4841 -16.24063 11.98549 
1 1 1  -24    6   25 o  214.497   6.4044  124.804   7.4036  133.245   10.373  116.040   10.570  221.921   8.6502  207.072   9.4466 14.84895 12.80876 
1 1 1  -24    6   26 o  528.581   7.2037  755.419   20.557  733.039   28.338  780.278   29.865  520.341   10.078  536.821   10.296 -16.48065 14.40733 
1 1 1  -24    6   27 o   67.520   12.996   11.956   5.6859   21.898   7.8917   1.2233   8.1992   88.230   17.170   46.811   19.514 41.41948 25.99285 
1 1 1  -24    6   28 o  182.861   6.7149   90.490   6.6270   96.953   9.5068   84.380   9.2427  189.217   9.2979  176.505   9.6907 12.71208 13.42984 
1 1 1  -24    6   29 o  430.091   6.3795  500.842   14.823  503.269   21.196  498.519   20.739  431.102   9.0986  429.079   8.9446 2.023071 12.75894 
1 1 1  -24    6   30 f  269.812   7.1699  198.247   9.9190  200.395   12.266  194.189   16.862  272.065   8.3432  267.560   11.663 4.504852 14.33971 
1 1 1  -24    6   31 o  288.563   8.2428  225.959   12.842  213.559   18.026  238.739   18.300  280.499   11.893  296.628   11.417 -16.12915 16.48566 
1 1 1  -24    6   33 f  317.032   8.3632  272.325   14.257  281.081   21.381  265.315   19.132  321.531   12.306  312.533   11.328 8.998047 16.72642 
1 1 1  -24    6   34 f  378.388   7.4081  383.402   14.220  373.584   17.242  404.279   25.142  371.226   8.5953  385.550   12.068 -14.32425 14.81615 
1 1 1  -24    6   35 o  297.660   5.7856  240.177   9.3053  243.805   13.214  236.608   13.106  299.893   8.1540  295.427   8.2099 4.466156 11.57110 
1 1 1  -24    6   36 o  179.517   6.6578   87.743   6.4409   83.392   9.3021   91.751   8.9272  175.189   9.8262  183.844   8.9862 -8.655334 13.31562 
1 1 1  -24    6   37 o  216.393   6.0738  127.242   7.0936  123.840   10.199  130.430   9.8732  213.558   8.8377  219.227   8.3344 -5.669571 12.14769 
1 1 1  -24    6   38 o  292.008   5.7325  231.388   9.0433  230.727   12.916  232.024   12.666  291.584   8.1976  292.431   8.0153 -0.8467102 11.46497 
1 1 1  -24    6   39 o  321.262   5.7609  280.084   9.9980  271.527   13.970  289.070   14.315  316.228   8.1753  326.295   8.1189 -10.06674 11.52179 
1 1 1  -24    6   40 o  279.239   5.7314  211.852   8.6478  213.306   12.293  210.428   12.167  280.185   8.1197  278.293   8.0911 1.891235 11.46274 
1 1 1  -24    6   41 o  123.626   9.2007   41.332   5.8700   60.790   8.9320   26.540   7.7879  149.136   11.084   98.116   14.689 51.02024 18.40141 
1 1 1  -24    6   42 o  115.664   8.9884   36.667   5.6053   40.248   8.1008   33.377   7.7639  121.121   12.377  110.207   13.037 10.91373 17.97674 
1 1 1  -24    6   43 f   93.494   11.203   25.359   5.3687   18.926   7.8207   31.091   7.3831   80.687   18.352  106.301   12.853 -25.61399 22.40510 
1 1 1  -24    6   44 f  131.497   8.3080   47.409   5.8934   51.268   8.5882   43.975   8.1022  136.561   11.638  126.434   11.859 10.12688 16.61591 
1 1 1  -24    6   45 o   49.321   13.535   4.4698   5.1604   6.5595   7.7750   2.8245   6.8991   53.561   19.996   45.080   18.246 8.480965 27.06950 
1 1 1  -24    6   46 o   61.579   12.613   9.3644   5.2824   19.461   7.5791  -0.1733   7.3663   81.532   17.710   41.627   17.963 39.90553 25.22509 
1 1 1  -24    6   47 o  147.918   7.4539   60.283   5.9434   59.651   8.6868   60.839   8.1493  147.085   10.930  148.750   10.139 -1.665573 14.90789 
1 1 1  -24    6   48 o  139.118   8.0379   53.651   6.0272   49.592   8.5530   57.654   8.4947  133.744   11.835  144.492   10.880 -10.74800 16.07574 
1 1 1  -24    6   49 f   47.672   12.948   3.3936   5.0571   9.1091   7.2922  -1.9020   7.0192   57.303   19.592   38.042   16.935 19.26121 25.89670 
1 1 1  -24    6   50 o   65.505   14.003   12.841   5.3685   12.769   7.9006   12.903   7.3174   65.401   20.264   65.610   19.331 -0.2094040 28.00567 
1 1 1  -24    6   51 o  122.424   8.8377   41.965   5.8281   46.535   8.3794   37.683   8.1114  129.042   12.017  115.807   12.962 13.23441 17.67545 
1 1 1  -24    6   52 o  126.853   8.6489   45.123   5.9068   45.960   8.7665   44.426   7.9938  127.742   12.700  125.964   11.744 1.777634 17.29778 
1 1 1  -24    6   53 o   93.705   11.558   25.547   5.7007   29.567   8.5925   22.386   7.6191  101.077   15.732   86.333   16.937 14.74413 23.11608 
1 1 1  -24    6   54 o   67.183   14.321   13.972   5.7167   11.042   8.1120   16.862   8.0575   60.891   20.664   73.476   19.833 -12.58422 28.64170 
1 1 1  -24    6   55 o   57.164   13.888   7.8790   5.7619   16.248   8.4697   0.6686   7.8615   71.564   20.715   42.763   18.505 28.80104 27.77696 
1 1 1  -24    6   56 o   85.357   13.229   22.810   5.9669   27.831   8.5385   18.018   8.3418   95.621   17.155   75.093   20.142 20.52882 26.45736 
1 1 1  -24    6   57 o  153.735   8.3575   67.505   6.8802   56.434   9.5236   79.591   9.9506  139.990   12.590  167.480   10.995 -27.49063 16.71504 
1 1 1  -24    6   58 o  164.326   10.141   78.319   8.3913   82.568   14.916   76.352   10.150  165.139   16.716  163.513   11.487 1.626312 20.28223 
1 1 1  -24    6   59 o   54.719   24.427   1.8009   14.713   1.8009   14.713   0.0000   0.0000   54.719   24.427  ?   ?       ?      ? 
1 1 1  -24    6   61 o   82.195   16.900   25.560   7.8507   24.955   13.152   25.895   9.7852   78.534   26.314   85.855   21.215 -7.321007 33.80080 
1 1 1  -24    6   62 o   51.442   14.690   7.5721   6.4816   11.891   9.2668   3.4361   9.0691   57.574   21.761   45.310   19.740 12.26419 29.38045 
1 1 1  -24    7    1 o  345.222   7.5639  322.219   14.110   0.0000   0.0000  322.219   14.110  ?   ?   345.222   7.5639      ?      ? 
1 1 1  -24    7    2 o  876.934   10.739  2082.93   50.883  2055.57   71.228  2111.44   72.714  871.063   15.133  882.805   15.243 -11.74109 21.47874 
1 1 1  -24    7    3 o  321.004   7.8931  278.473   13.640  282.658   20.254  275.000   18.451  323.189   11.597  318.818   10.710 4.370697 15.78612 
1 1 1  -24    7    4 o  281.331   7.9485  214.908   12.040  197.883   17.250  231.081   16.813  270.406   11.806  292.255   10.646 -21.84857 15.89697 
1 1 1  -24    7    5 o  591.572   9.4013  940.988   28.174  929.009   34.215  966.216   49.654  585.975   10.806  597.169   15.387 -11.19336 18.80250 
1 1 1  -24    7    6 o  579.355   9.2764  916.313   27.436  885.360   46.896  932.420   33.829  571.652   15.182  587.058   10.664 -15.40564 18.55272 
1 1 1  -24    7    7 o  392.260   7.3001  427.480   14.684  378.378   24.244  455.931   18.455  373.901   11.999  410.619   8.3173 -36.71771 14.60019 
1 1 1  -24    7    8 o  455.354   7.8760  544.198   17.807  520.093   21.113  603.604   33.144  438.533   8.9096  472.174   12.990 -33.64130 15.75192 
1 1 1  -24    7    9 o  166.054   7.5007   69.195   6.3517   59.552   7.6094   91.351   11.534  148.382   9.4903  183.726   11.618 -35.34390 15.00149 
1 1 1  -24    7   10 o  593.530   7.6764  951.686   24.597  919.749   33.907  987.164   35.737  583.042   10.762  604.017   10.949 -20.97491 15.35289 
1 1 1  -24    7   11 o  552.904   7.2798  827.026   21.749  821.362   30.772  832.680   30.744  551.010   10.335  554.799   10.255 -3.788696 14.55953 
1 1 1  -24    7   12 f  710.132   8.9199  1364.05   34.212  1333.44   47.485  1397.08   49.334  701.866   12.520  718.397   12.708 -16.53131 17.83982 
1 1 1  -24    7   13 o  684.900   8.6523  1269.28   32.017  1249.35   44.786  1290.12   45.787  679.407   12.199  690.394   12.273 -10.98730 17.30454 
1 1 1  -24    7   14 o  268.162   5.5625  194.536   8.0369  175.615   11.256  214.214   11.479  254.845   8.1736  281.479   7.5470 -26.63388 11.12501 
1 1 1  -24    7   15 o  244.175   5.6565  161.312   7.4517  159.409   10.811  163.034   10.285  242.797   8.2401  245.553   7.7514 -2.756638 11.31295 
1 1 1  -24    7   16 o  213.758   6.0128  124.019   6.9180  112.996   9.8809  134.618   9.6891  204.396   8.9461  223.120   8.0363 -18.72292 12.02560 
1 1 1  -24    7   17 o  335.232   5.7439  303.742   10.398  308.218   15.024  299.627   14.406  337.597   8.2356  332.867   8.0088 4.729858 11.48771 
1 1 1  -24    7   18 o  184.608   6.7325   91.882   6.7040   97.620   9.8456   86.922   9.1539  189.962   9.5915  179.254   9.4504 10.70773 13.46502 
1 1 1  -24    7   19 o  488.123   9.6387  644.570   25.424   0.0000   0.0000  644.570   25.424  ?   ?   488.123   9.6387      ?      ? 
1 1 1  -24    7   20 o  288.185   8.3051  224.609   12.933   0.0000   0.0000  224.609   12.933  ?   ?   288.185   8.3051      ?      ? 
1 1 1  -24    7   21 o  526.435   7.1675  749.446   20.382  728.919   28.361  771.369   29.310  518.988   10.113  533.882   10.160 -14.89410 14.33510 
1 1 1  -24    7   22 o  495.076   6.9122  663.307   18.491  656.123   26.067  670.584   26.235  492.375   9.7974  497.776   9.7533 -5.399994 13.82444 
1 1 1  -24    7   23 o   90.414   13.023   23.038   6.1455   22.151   8.7430   23.904   8.6400   88.600   18.841   92.228   17.983 -3.627197 26.04553 
1 1 1  -24    7   24 o  472.183   6.7304  602.798   17.157  616.685   24.900  590.244   23.675  477.345   9.6533  467.021   9.3813 10.32339 13.46082 
1 1 1  -24    7   25 o  153.814   8.0602   64.139   6.6672   56.189   9.3097   72.509   9.5527  144.002   11.964  163.626   10.804 -19.62418 16.12035 
1 1 1  -24    7   26 o  471.995   6.7132  602.934   17.115  612.356   24.619  594.121   23.810  475.553   9.5805  468.437   9.4064 7.115692 13.42633 
1 1 1  -24    7   27 o  243.673   6.1078  160.495   8.0362  168.260   11.624  153.386   11.122  249.310   8.6284  238.035   8.6470 11.27464 12.21556 
1 1 1  -24    7   28 o  458.691   6.5818  569.742   16.310  572.356   23.331  567.242   22.810  459.711   9.3921  457.672   9.2234 2.038971 13.16367 
1 1 1  -24    7   29 o   94.653   13.691   26.073   6.5551   28.723   8.1594   21.250   11.008  102.786   14.691   86.521   23.108 16.26484 27.38268 
1 1 1  -24    7   30 f   58.543   16.396   5.0206   7.7613   7.3288   10.892   2.6396   11.062   61.666   23.523   55.419   22.846 6.246643 32.79183 
1 1 1  -24    7   31 o   82.569   24.244   19.155   11.528   0.0000   0.0000   19.155   11.528  ?   ?    82.569   24.244      ?      ? 
1 1 1  -24    7   32 o  254.075   11.937  175.428   16.388   0.0000   0.0000  175.428   16.388  ?   ?   254.075   11.937      ?      ? 
1 1 1  -24    7   33 o  217.370   8.9534  129.319   10.401  122.950   15.699  134.302   13.887  212.445   13.675  222.296   11.561 -9.851013 17.90674 
1 1 1  -24    7   34 o  232.598   5.9789  146.483   7.5071  150.962   10.918  142.467   10.339  235.956   8.5633  229.241   8.3461 6.714249 11.95775 
1 1 1  -24    7   35 o  152.230   7.7862   62.950   6.4001   66.275   9.2339   59.875   8.8789  156.099   10.947  148.360   11.075 7.739349 15.57232 
1 1 1  -24    7   36 o  354.483   5.9249  340.714   11.336  347.079   16.488  335.008   15.612  357.591   8.5328  351.375   8.2225 6.216003 11.84980 
1 1 1  -24    7   37 o   55.044   14.242   6.8663   5.5253   7.3769   7.9849   6.3972   7.6535   56.272   20.390   53.817   19.889 2.454185 28.48417 
1 1 1  -24    7   38 o  105.751   9.9084   30.273   5.5920   37.766   8.3727   24.238   7.5136  117.510   13.186   93.993   14.793 23.51740 19.81676 
1 1 1  -24    7   39 o  130.058   8.4561   45.710   5.9083   51.607   8.9512   41.157   7.8649  137.394   12.057  122.721   11.860 14.67339 16.91218 
1 1 1  -24    7   40 o  307.401   5.8020  257.057   9.6299  246.113   13.653  267.892   13.585  300.841   8.3984  313.961   8.0075 -13.12036 11.60402 
1 1 1  -24    7   41 o  202.602   6.2696  111.882   6.8538  108.905   9.8814  114.642   9.5145  199.953   9.1454  205.252   8.5785 -5.298828 12.53914 
1 1 1  -24    7   42 o  250.558   5.8198  171.053   7.8659  160.020   11.149  181.988   11.099  242.441   8.5104  258.674   7.9406 -16.23337 11.63953 
1 1 1  -24    7   43 o   72.318   13.170   15.451   5.3250   10.519   7.7411   19.880   7.3366   61.681   20.169   82.955   16.939 -21.27411 26.33907 
1 1 1  -24    7   44 o   80.364   12.390   18.789   5.2268   19.816   7.5506   17.843   7.2426   82.521   17.477   78.208   17.567 4.312958 24.77987 
1 1 1  -24    7   45 o  106.472   9.8673   31.510   5.6431   31.310   8.4341   31.673   7.5931  106.000   14.725  106.945   13.139 -0.9450226 19.73465 
1 1 1  -24    7   46 o   77.820   12.116   16.922   5.4283   29.852   8.1013   6.3863   7.3128  103.389   14.501   52.251   19.415 51.13765 24.23292 
1 1 1  -24    7   47 o  178.665   6.5928   87.968   6.3367   80.131   9.0794   95.410   8.8480  170.716   9.8422  186.614   8.7743 -15.89764 13.18551 
1 1 1  -24    7   48 o   54.360   13.909   7.5248   5.2902   5.8079   7.9006   8.9202   7.1227   51.857   19.972   56.863   19.363 -5.005974 27.81780 
1 1 1  -24    7   49 o   65.963   13.845   13.051   5.3331   11.160   7.7116   14.785   7.3835   61.886   20.126   70.040   19.018 -8.154457 27.69011 
1 1 1  -24    7   50 o  122.052   8.6855   41.634   5.7160   41.477   8.3490   41.772   7.8421  121.698   12.696  122.406   11.856 -0.7085800 17.37109 
1 1 1  -24    7   51 o   77.099   13.705   18.475   5.7588   14.914   8.5662   21.412   7.7790   69.712   21.005   84.486   17.610 -14.77367 27.41058 
1 1 1  -24    7   52 o   52.258   13.911   6.7198   5.3828   5.1391   7.8251   8.1396   7.4161   49.789   19.671   54.727   19.676 -4.937084 27.82221 
1 1 1  -24    7   53 o  131.331   8.7194   48.668   6.1564   55.305   8.8706   42.501   8.5510  140.244   11.705  122.418   12.927 17.82608 17.43878 
1 1 1  -24    7   54 o  158.785   7.9205   70.694   6.7776   70.442   9.9410   70.914   9.2647  158.301   11.621  159.270   10.765 -0.9692993 15.84105 
1 1 1  -24    7   55 o   69.948   14.287   15.651   5.8769   11.255   8.5459   19.595   8.0948   60.958   21.191   78.938   19.169 -17.98042 28.57448 
1 1 1  -24    7   56 o  148.738   8.2143   63.444   6.5097   55.581   9.5972   70.144   8.8592  139.395   12.741  158.081   10.371 -18.68530 16.42858 
1 1 1  -24    7   57 o   52.762   13.953   6.8877   5.9328  -0.6045   8.8443   13.017   7.9996   42.417   18.937   63.108   20.497 -20.69084 27.90570 
1 1 1  -24    7   58 o   45.508   14.813  -5.4490   8.7656 -16.1284   13.778   1.8133   11.362   41.159   19.953   49.858   21.898 -8.698929 29.62512 
1 1 1  -24    7   60 o   47.179   15.429  -3.2865   9.8895   7.7815   13.245 -17.2320   14.867   54.256   23.741   40.102   19.713 14.15428 30.85790 
1 1 1  -24    7   61 o   79.523   14.794   23.303   6.8966   14.089   10.460   30.388   9.1725   62.810   23.244   96.236   18.308 -33.42631 29.58819 
1 1 1  -24    7   62 o   60.962   15.636   14.125   6.6170   15.907   9.8859   12.678   8.9063   63.532   22.730   58.392   21.477 5.139465 31.27143 
1 1 1  -24    8    1 o  503.409   9.5562  685.457   25.995   0.0000   0.0000  685.457   25.995  ?   ?   503.409   9.5562      ?      ? 
1 1 1  -24    8    2 o  351.343   7.5373  275.467   11.291  436.937   28.297  244.890   12.314  401.728   13.035  300.958   7.5717 100.7706 15.07463 
1 1 1  -24    8    3 o  626.578   11.566  1064.26   39.149  1061.26   56.017  1067.12   54.735  625.689   16.568  627.466   16.143 -1.776672 23.13234 
1 1 1  -24    8    4 o  599.824   11.185  975.133   36.248  958.558   51.293  991.667   51.231  594.716   15.961  604.932   15.673 -10.21680 22.36929 
1 1 1  -24    8    5 o   54.460   13.733   6.7957   5.0503   7.4356   7.7831   6.3302   6.6375   56.629   20.178   52.291   18.634 4.338627 27.46550 
1 1 1  -24    8    6 o  287.831   8.2259  224.020   12.794  224.020   12.794   0.0000   0.0000  287.831   8.2259  ?   ?       ?      ? 
1 1 1  -24    8    7 o  408.829   12.818  452.477   28.317  452.477   28.317   0.0000   0.0000  408.829   12.818  ?   ?       ?      ? 
1 1 1  -24    8    8 o  261.904   7.5086  199.445   9.5548  151.374   16.607  223.234   11.682  236.461   12.997  287.346   7.5237 -50.88470 15.01724 
1 1 1  -24    8    9 o  957.076   14.382  2466.04   69.354  2429.74   83.783  2545.04  123.615  946.806   16.376  967.346   23.648 -20.54034 28.76486 
1 1 1  -24    8   10 o  214.697   6.0964  125.220   6.9939  102.577   9.7852  148.870   10.000  194.748   9.2984  234.647   7.8869 -39.89893 12.19276 
1 1 1  -24    8   11 o  406.980   6.0949  447.952   13.399  432.265   18.891  463.832   19.007  399.804   8.7441  414.156   8.4931 -14.35175 12.18985 
1 1 1  -24    8   12 o  177.885   6.4725   85.850   6.2000   81.389   8.9993   89.880   8.5540  173.464   9.6009  182.306   8.6832 -8.842316 12.94507 
1 1 1  -24    8   13 o  122.673   8.3244   40.437   5.4971   45.438   8.1593   36.280   7.4387  129.571   11.654  115.775   11.890 13.79520 16.64884 
1 1 1  -24    8   14 o  149.724   10.833   60.662   8.7642   60.662   8.7642   0.0000   0.0000  149.724   10.833  ?   ?       ?      ? 
1 1 1  -24    8   15 o  350.953   5.8921  333.055   11.167  334.219   16.090  331.972   15.511  351.539   8.4703  350.367   8.1929 1.172394 11.78427 
1 1 1  -24    8   16 o  460.590   6.5945  573.898   16.411  564.338   23.205  583.466   23.213  456.748   9.4019  464.433   9.2497 -7.684845 13.18908 
1 1 1  -24    8   17 o  156.065   7.6625   66.322   6.4213   60.582   9.3399   71.466   8.8426  149.605   11.553  162.525   10.069 -12.91986 15.32506 
1 1 1  -24    8   18 o  316.150   8.1420  270.300   13.910   0.0000   0.0000  270.300   13.910  ?   ?   316.150   8.1420      ?      ? 
1 1 1  -24    8   19 o  573.795   7.5989  891.037   23.560  879.565   33.189  902.690   33.450  570.070   10.774  577.520   10.719 -7.450378 15.19781 
1 1 1  -24    8   20 o  734.990   9.2510  1463.44   36.732  1476.29   52.642  1451.26   51.279  738.114   13.198  731.867   12.966 6.246643 18.50197 
1 1 1  -24    8   21 o  306.226   5.8353  253.165   9.6396  262.026   14.133  245.456   13.182  311.220   8.4037  301.233   8.0981 9.987183 11.67055 
1 1 1  -24    8   22 o  452.759   6.5884  554.625   16.117  544.741   22.637  564.786   22.953  448.667   9.3370  456.850   9.2978 -8.183350 13.17683 
1 1 1  -24    8   23 o  196.126   6.5901  104.558   6.9530   96.398   10.038  112.085   9.6406  188.718   9.8429  203.533   8.7656 -14.81462 13.18025 
1 1 1  -24    8   24 f  186.425   6.9836   94.079   7.0233   86.922   9.8296  101.544   10.039  179.171   10.153  193.679   9.5920 -14.50768 13.96716 
1 1 1  -24    8   25 o  309.225   5.8578  258.264   9.7729  238.855   13.520  279.500   14.143  297.074   8.4223  321.376   8.1438 -24.30148 11.71568 
1 1 1  -24    8   26 o  281.030   5.8843  213.731   8.9340  215.650   12.790  211.902   12.485  282.258   8.3855  279.802   8.2574 2.455963 11.76863 
1 1 1  -24    8   27 o  160.929   7.4431   70.175   6.4707   70.524   9.2744   69.844   9.0322  161.314   10.640  160.545   10.411 0.7687531 14.88626 
1 1 1  -24    8   28 o   59.388   15.248   7.9833   6.3974   10.577   8.0585   3.5631   10.521   63.252   20.574   55.524   22.510 7.727921 30.49582 
1 1 1  -24    8   29 o  349.836   8.3993  331.685   15.867  316.892   21.991  347.748   22.915  341.707   11.910  357.965   11.847 -16.25815 16.79853 
1 1 1  -24    8   30 o  450.324   9.2703  549.094   22.511  515.541   30.669  588.288   33.147  435.485   13.033  465.163   13.187 -29.67819 18.54056 
1 1 1  -24    8   31 o  166.484   16.144   75.676   14.524   0.0000   0.0000   75.676   14.524  ?   ?   166.484   16.144      ?      ? 
1 1 1  -24    8   32 o  250.651   8.6772  170.572   11.723  174.865   17.284  166.914   15.954  253.520   12.617  247.783   11.916 5.737595 17.35431 
1 1 1  -24    8   33 f  232.869   7.6659  148.195   9.0678  149.898   11.110  144.797   15.694  235.112   8.7448  230.626   12.593 4.485809 15.33182 
1 1 1  -24    8   34 o  518.625   7.1478  730.698   20.031  722.453   28.211  739.080   28.446  515.671   10.124  521.580   10.093 -5.909058 14.29558 
1 1 1  -24    8   35 o   70.033   14.127   13.248   5.6601   18.582   8.7695   9.4391   7.4101   80.378   20.211   59.688   19.744 20.68965 28.25462 
1 1 1  -24    8   36 f  230.002   6.1083  143.677   7.5771  132.392   10.640  155.286   10.792  220.800   8.9182  239.205   8.3495 -18.40553 12.21667 
1 1 1  -24    8   37 o  267.717   5.7544  194.454   8.3071  195.556   12.163  193.490   11.373  268.391   8.3868  267.043   7.8811 1.346924 11.50873 
1 1 1  -24    8   38 o  280.853   5.7475  214.331   8.7149  211.175   12.536  217.282   12.123  278.816   8.3208  282.889   7.9308 -4.072662 11.49498 
1 1 1  -24    8   39 o  299.573   5.8480  243.807   9.4612  248.089   13.659  239.857   13.117  302.079   8.3680  297.068   8.1716 5.011780 11.69608 
1 1 1  -24    8   40 o  202.227   6.2894  111.586   6.8536  107.111   9.9454  115.633   9.4578  198.290   9.2818  206.165   8.4896 -7.875854 12.57880 
1 1 1  -24    8   41 o  168.945   6.8338   77.970   6.2185   76.290   9.1121   79.434   8.5077  167.168   10.087  170.722   9.2222 -3.553772 13.66758 
1 1 1  -24    8   42 o  229.493   6.0173  143.628   7.4416  141.300   10.885  145.672   10.197  227.669   8.8475  231.318   8.1579 -3.649216 12.03458 
1 1 1  -24    8   43 o  149.591   7.3546   61.134   5.9359   65.406   8.6740   57.371   8.1406  154.494   10.390  144.689   10.412 9.805084 14.70930 
1 1 1  -24    8   44 o  335.395   5.8710  306.937   10.635  304.923   15.253  308.842   14.837  334.269   8.4442  336.521   8.1590 -2.252167 11.74200 
1 1 1  -24    8   45 o  133.645   8.0536   49.234   5.7839   48.999   8.6307   49.425   7.7927  133.216   11.990  134.075   10.756 -0.8591766 16.10720 
1 1 1  -24    8   46 o  274.915   5.8405  205.175   8.6246  219.510   13.079  194.146   11.472  283.237   8.5457  266.592   7.9635 16.64526 11.68106 
1 1 1  -24    8   47 o  143.486   7.7732   56.763   6.0162   58.855   8.8303   54.952   8.2189  145.887   11.201  141.086   10.781 4.800537 15.54636 
1 1 1  -24    8   48 o   60.323   14.013   10.481   5.3212   8.7171   7.9586   11.908   7.1560   57.197   20.402   63.449   19.217 -6.251453 28.02689 
1 1 1  -24    8   49 o   37.805   12.065  -3.9941   5.3659   0.3078   7.6713  -8.1151   7.5084   42.561   18.349   33.049   15.670 9.512234 24.12936 
1 1 1  -24    8   50 o  133.240   8.4695   49.349   6.0616   51.895   9.1693   47.372   8.0786  136.093   12.468  130.388   11.466 5.705124 16.93906 
1 1 1  -24    8   51 o   90.428   12.111   24.358   5.6700   24.885   8.5231   23.939   7.5942   90.907   17.987   89.949   16.221 0.9582977 24.22114 
1 1 1  -24    8   52 o   95.655   12.363   27.750   6.1460   22.396   8.9712   32.485   8.4368   84.895   19.902  106.416   14.672 -21.52103 24.72563 
1 1 1  -24    8   53 o   51.402   13.873   4.8324   5.7152   11.478   8.4616  -0.7427   7.7502   61.941   21.105   40.864   18.012 21.07657 27.74613 
1 1 1  -24    8   54 f   67.699   14.472   13.994   5.7868   18.123   8.7357   10.766   7.7248   75.510   20.763   59.887   20.166 15.62274 28.94438 
1 1 1  -24    8   55 o   52.474   14.105   6.7919   5.6969   3.2002   8.2567   10.055   7.8705   46.830   19.557   58.117   20.329 -11.28722 28.20925 
1 1 1  -24    8   56 o   39.516   12.635  -3.4468   5.9821  -8.9489   8.5909   1.7321   8.3349   34.516   16.477   44.515   19.159 -9.999275 25.26967 
1 1 1  -24    8   57 o   42.331   13.950  -6.2200   7.1471   0.7779   12.657  -9.4959   8.6599   50.542   22.602   34.120   16.357 16.42172 27.90001 
1 1 1  -24    8   58 o  124.483   24.008   52.410   15.564   52.410   15.564   0.0000   0.0000  124.483   24.008  ?   ?       ?      ? 
1 1 1  -24    8   60 o   62.697   18.125   12.949   10.055   22.059   14.798   5.1351   13.705   72.164   27.445   53.230   23.683 18.93343 36.25041 
1 1 1  -24    8   61 o   54.197   15.039   9.1920   6.4073   12.526   9.7835   6.6882   8.4785   59.075   22.352   49.319   20.127 9.756073 30.07842 
1 1 1  -24    9    1 o  412.716   7.8549  465.290   16.070  449.775   29.033  472.144   19.296  407.584   13.182  417.848   8.5459 -10.26376 15.70988 
1 1 1  -24    9    2 o  769.395   13.726  1606.01   57.057  1574.55   79.775  1638.96   81.640  761.688   19.382  777.102   19.442 -15.41345 27.45274 
1 1 1  -24    9    3 o  378.750   8.8147  385.340   17.899  411.036   27.402  366.216   23.639  389.648   13.014  367.852   11.892 21.79565 17.62937 
1 1 1  -24    9    4 o  420.316   6.2270  477.795   14.140  464.469   19.951  491.243   20.042  414.423   8.9090  426.209   8.7023 -11.78635 12.45395 
1 1 1  -24    9    5 o  155.999   6.9102   65.525   5.7803   68.162   8.8073   63.530   7.6611  158.734   10.268  153.263   9.2505 5.470459 13.82037 
1 1 1  -24    9    6 o  316.841   5.6997  271.768   9.7423  264.816   14.080  278.153   13.494  312.940   8.3264  320.741   7.7856 -7.800385 11.39937 
1 1 1  -24    9    7 o  713.042   9.0153  1376.31   34.735  1360.19   48.920  1392.70   49.328  708.830   12.772  717.254   12.727 -8.424683 18.03054 
1 1 1  -24    9    8 o  355.832   7.5128  340.329   13.020  347.748   24.582  337.437   15.350  358.404   12.693  353.260   8.0411 5.144409 15.02564 
1 1 1  -24    9    9 o  349.143   5.9178  327.987   11.097  344.099   16.795  315.501   14.785  356.702   8.7135  341.583   8.0098 15.11887 11.83563 
1 1 1  -24    9   10 o  424.789   12.467  488.513   28.616   0.0000   0.0000  488.513   28.616  ?   ?   424.789   12.467      ?      ? 
1 1 1  -24    9   11 o  338.180   5.8918  309.512   10.759  298.679   15.314  320.070   15.118  332.325   8.5277  344.035   8.1323 -11.70950 11.78369 
1 1 1  -24    9   12 o  292.410   7.9692  231.216   12.592   0.0000   0.0000  231.216   12.592  ?   ?   292.410   7.9692      ?      ? 
1 1 1  -24    9   13 o  400.384   6.2326  433.393   13.461  436.807   19.658  430.380   18.471  401.856   9.0527  398.912   8.5691 2.943939 12.46515 
1 1 1  -24    9   14 o  674.501   8.6392  1231.74   31.485  1230.27   44.831  1233.18   44.228  674.092   12.307  674.910   12.127 -0.8179321 17.27849 
1 1 1  -24    9   15 o  517.430   9.9887  724.358   27.928   0.0000   0.0000  724.358   27.928  ?   ?   517.430   9.9887      ?      ? 
1 1 1  -24    9   16 o  451.440   6.6404  549.250   16.138  574.088   24.079  528.993   21.745  460.655   9.6734  442.226   9.0999 18.42889 13.28088 
1 1 1  -24    9   17 o  534.002   7.3216  771.759   21.125  760.276   29.925  783.164   29.824  530.034   10.448  537.969   10.259 -7.934570 14.64323 
1 1 1  -24    9   18 o  337.638   6.0296  307.864   10.965  314.471   16.251  302.342   14.856  340.944   8.8207  334.332   8.2230 6.611511 12.05912 
1 1 1  -24    9   19 o  501.081   7.0094  679.665   18.972  675.750   27.159  683.395   26.513  499.659   10.059  502.504   9.7643 -2.844269 14.01880 
1 1 1  -24    9   20 o  428.411   6.4618  496.676   14.956  484.771   21.124  508.642   21.179  423.256   9.2358  433.565   9.0397 -10.30963 12.92350 
1 1 1  -24    9   21 o  315.435   6.0205  269.332   10.238  266.935   14.960  271.445   14.042  314.099   8.8140  316.772   8.2037 -2.672058 12.04101 
1 1 1  -24    9   22 o  336.232   8.2303  305.850   14.953   0.0000   0.0000  305.850   14.953  ?   ?   336.232   8.2303      ?      ? 
1 1 1  -24    9   23 o  682.765   8.7403  1263.80   32.245  1264.36   45.867  1263.25   45.339  682.901   12.430  682.628   12.291 0.2734375 17.48059 
1 1 1  -24    9   24 o  112.229   10.416   34.118   6.2960   38.246   9.1519   30.409   8.6751  118.674   14.271  105.783   15.176 12.89096 20.83258 
1 1 1  -24    9   25 o  464.033   6.7024  583.230   16.804  575.921   23.843  590.443   23.687  461.134   9.5686  466.933   9.3878 -5.798859 13.40482 
1 1 1  -24    9   26 o  634.304   8.2623  1091.12   28.318  1078.45   39.935  1103.92   40.163  630.596   11.720  638.012   11.649 -7.416199 16.52454 
1 1 1  -24    9   27 o  190.157   8.3585   95.226   8.2660   88.236   10.215  108.491   14.070  180.424   10.477  199.889   13.027 -19.46484 16.71699 
1 1 1  -24    9   28 o  199.798   9.2682  107.882   9.9522  124.932   14.612   93.131   13.592  214.486   12.608  185.110   13.588 29.37645 18.53633 
1 1 1  -24    9   29 o  464.064   9.4579  585.166   23.685  594.820   34.518  576.576   32.559  467.613   13.661  460.515   13.084 7.097626 18.91582 
1 1 1  -24    9   30 o   33.279   15.814  -9.6306   7.7287   0.0000   0.0000  -9.6306   7.7287  ?   ?    33.279   15.814      ?      ? 
1 1 1  -24    9   31 o  209.239   9.1461  119.426   10.252  117.027   15.466  121.306   13.691  207.254   13.810  211.225   11.995 -3.970795 18.29227 
1 1 1  -24    9   32 o  233.935   8.9213  149.669   11.220  139.955   16.364  158.288   15.414  226.631   13.362  241.239   11.824 -14.60872 17.84262 
1 1 1  -24    9   33 o  548.949   7.4315  818.524   22.027  830.979   31.888  807.158   30.462  552.889   10.674  545.008   10.343 7.880981 14.86306 
1 1 1  -24    9   34 o  303.363   5.8722  250.127   9.6096  239.092   13.788  260.549   13.400  296.800   8.5971  309.926   8.0014 -13.12582 11.74448 
1 1 1  -24    9   35 f  278.610   5.8795  210.621   8.8390  211.270   12.858  210.040   12.171  278.985   8.5289  278.236   8.0952 0.7491455 11.75903 
1 1 1  -24    9   36 o  143.965   8.1180   57.436   6.2084   48.206   9.1156   65.422   8.4788  132.855   12.698  155.075   10.118 -22.21974 16.23599 
1 1 1  -24    9   37 o  221.289   6.1367  133.317   7.3112  129.861   10.729  136.313   9.9894  218.546   9.0853  224.032   8.2517 -5.486084 12.27331 
1 1 1  -24    9   38 o  164.699   7.2058   72.896   6.3663   83.873   9.7243   64.663   8.4220  175.383   10.261  154.014   10.120 21.36980 14.41155 
1 1 1  -24    9   39 o  128.499   8.8722   45.513   6.0808   43.704   9.2723   46.878   8.0547  126.081   13.610  130.918   11.386 -4.837112 17.74431 
1 1 1  -24    9   40 o   35.772   11.722  -6.1117   5.3850  -6.4598   7.8111  -5.7964   7.4338   36.025   16.725   35.520   16.429 0.5049324 23.44473 
1 1 1  -24    9   41 o  185.669   6.5989   94.536   6.5662   89.599   9.7828   98.583   8.8580  181.104   9.9964  190.235   8.6170 -9.130981 13.19781 
1 1 1  -24    9   42 o   75.773   12.128   15.730   5.2549   26.888   7.9150   6.9348   7.0271   98.369   14.890   53.177   19.149 45.19270 24.25699 
1 1 1  -24    9   43 o  189.091   6.7288   99.284   6.7669   82.704   9.8416  114.152   9.3193  173.640   10.489  204.543   8.4316 -30.90337 13.45764 
1 1 1  -24    9   44 o  159.857   7.0795   69.976   6.0781   70.909   9.1381   69.236   8.1398  160.689   10.524  159.026   9.4724 1.663498 14.15908 
1 1 1  -24    9   45 o   78.882   11.997   19.787   5.4261   5.8047   8.2055   30.653   7.2334   52.664   20.334  105.100   12.736 -52.43615 23.99379 
1 1 1  -24    9   46 o   45.151   13.373   1.7686   5.4977  -0.0525   8.3446   3.1653   7.3079   44.058   19.065   46.245   18.757 -2.186798 26.74508 
1 1 1  -24    9   47 o  164.691   7.1062   74.953   6.3007   71.798   9.1902   77.751   8.6548  161.248   10.547  168.134   9.5261 -6.885681 14.21242 
1 1 1  -24    9   48 o  102.461   10.937   29.801   6.0443   32.417   8.7446   27.408   8.3639  106.864   15.143   98.058   15.785 8.806480 21.87409 
1 1 1  -24    9   49 o  225.505   6.3089  139.519   7.6403  143.298   11.524  136.555   10.206  228.023   9.3523  222.988   8.4702 5.034821 12.61783 
1 1 1  -24    9   50 o  148.748   7.9912   62.472   6.3170   56.541   9.5472   67.089   8.4248  141.892   12.452  155.605   10.020 -13.71342 15.98240 
1 1 1  -24    9   51 o  196.121   6.8026  105.909   7.1736  113.186   10.812  100.185   9.5881  201.954   9.9074  190.289   9.3246 11.66504 13.60529 
1 1 1  -24    9   52 o  147.397   7.9478   60.318   6.2908   66.259   9.5710   55.799   8.3472  153.583   11.533  141.211   10.939 12.37180 15.89551 
1 1 1  -24    9   53 o  162.286   7.6701   74.013   6.6919   67.465   9.6264   80.136   9.3090  154.966   11.496  169.606   10.157 -14.63974 15.34019 
1 1 1  -24    9   54 o   70.735   14.603   15.994   5.9266   16.213   8.5284   15.789   8.2419   71.123   20.845   70.348   20.456 0.7754593 29.20501 
1 1 1  -24    9   55 o   87.967   13.047   23.655   6.1501   32.418   9.1165   16.337   8.3314  104.700   16.114   71.235   20.524 33.46452 26.09380 
1 1 1  -24    9   56 o   52.513   13.828   6.2390   5.9484  -2.1189   8.6331   13.793   8.2076   40.343   18.298   64.682   20.737 -24.33961 27.65596 
1 1 1  -24    9   57 o   40.959   13.924 -16.5489   9.3950  -4.3423   12.813 -30.7432   13.817   46.805   21.621   35.112   17.552 11.69300 27.84814 
1 1 1  -24    9   59 o   40.325   13.955 -15.1253   10.168 -16.1689   14.882 -14.2117   13.924   40.587   19.905   40.063   19.564 0.5246544 27.90953 
1 1 1  -24    9   60 o  104.836   15.610   38.286   8.1179   38.919   14.530   37.999   9.7882   99.381   26.551  110.291   16.424 -10.91073 31.22020 
1 1 1  -24    9   61 o  117.943   11.577   44.691   7.3325   51.736   10.809   38.686   9.9796  127.256   15.719  108.629   17.001 18.62754 23.15470 
1 1 1  -24   10    1 o   85.413   17.624   20.422   9.4989   6.0000   14.943   30.203   12.305   67.439   27.007  103.387   22.652 -35.94827 35.24894 
1 1 1  -24   10    2 o  394.889   9.1860  422.272   19.576  394.144   27.457  451.351   27.918  381.492   13.319  408.287   12.654 -26.79465 18.37204 
1 1 1  -24   10    3 o  416.136   6.2974  468.503   14.156  458.154   20.098  478.693   19.943  411.567   9.0372  420.704   8.7725 -9.136963 12.59474 
1 1 1  -24   10    4 o  127.231   11.098   43.809   7.6303   0.0000   0.0000   43.809   7.6303  ?   ?   127.231   11.098      ?      ? 
1 1 1  -24   10    5 o  437.235   6.4238  516.795   15.157  522.586   22.071  511.627   20.851  439.540   9.2925  434.930   8.8719 4.610779 12.84762 
1 1 1  -24   10    6 o  505.870   7.0248  691.304   19.188  661.574   26.556  723.784   27.757  494.506   9.9380  517.234   9.9311 -22.72800 14.04953 
1 1 1  -24   10    7 o  291.924   5.7984  229.318   9.1039  241.749   13.682  219.440   12.196  298.979   8.4686  284.868   7.9227 14.11121 11.59685 
1 1 1  -24   10    8 o  558.809   7.4913  844.295   22.611  815.516   31.475  874.986   32.504  548.975   10.610  568.642   10.578 -19.66711 14.98256 
1 1 1  -24   10    9 o   81.009   14.780   21.292   7.0330   1.4004   14.253   27.694   8.0860   60.928   25.587  101.090   14.803 -40.16233 29.56049 
1 1 1  -24   10   10 o  519.235   9.9504  729.419   27.918   0.0000   0.0000  729.419   27.918  ?   ?   519.235   9.9504      ?      ? 
1 1 1  -24   10   11 o  309.388   7.2225  247.298   11.296  228.068   13.514  291.892   20.579  290.391   8.6120  328.385   11.597 -37.99396 14.44506 
1 1 1  -24   10   12 o  422.909   6.4255  483.894   14.677  479.484   21.027  488.084   20.495  421.021   9.2426  424.797   8.9287 -3.775665 12.85094 
1 1 1  -24   10   13 o  226.891   6.3996  140.202   7.7693  131.381   11.617  147.341   10.450  220.368   9.7556  233.413   8.2855 -13.04503 12.79924 
1 1 1  -24   10   14 o  316.583   8.1234  271.050   13.897   0.0000   0.0000  271.050   13.897  ?   ?   316.583   8.1234      ?      ? 
1 1 1  -24   10   15 o  157.664   7.6453   66.860   6.4639   70.592   9.8701   64.057   8.5533  161.479   11.311  153.850   10.288 7.629440 15.29054 
1 1 1  -24   10   16 o  743.653   9.3918  1498.66   37.739  1490.86   53.466  1506.41   53.277  741.714   13.340  745.592   13.224 -3.877930 18.78352 
1 1 1  -24   10   17 o  502.798   7.0229  684.280   19.079  671.335   26.955  697.276   27.008  498.025   10.016  507.571   9.8471 -9.546082 14.04581 
1 1 1  -24   10   18 o  829.743   10.318  1867.22   46.261  1850.29   65.120  1884.46   65.731  825.947   14.591  833.538   14.593 -7.591187 20.63628 
1 1 1  -24   10   19 o  423.930   6.3907  486.075   14.627  491.097   21.175  481.492   20.229  426.012   9.1985  421.848   8.8741 4.163940 12.78134 
1 1 1  -24   10   20 o  428.580   6.4413  496.850   14.913  479.647   20.872  514.790   21.314  421.000   9.1748  436.160   9.0435 -15.16016 12.88262 
1 1 1  -24   10   21 o  307.212   5.9590  255.445   9.8793  238.631   13.880  272.706   14.064  296.952   8.6503  317.472   8.1982 -20.52045 11.91796 
1 1 1  -24   10   22 o  230.887   6.2919  144.695   7.8155  139.665   11.490  149.025   10.662  227.119   9.3619  234.654   8.4088 -7.535126 12.58388 
1 1 1  -24   10   23 o  293.404   5.9259  232.347   9.3582  240.215   13.960  225.925   12.612  297.884   8.6725  288.924   8.0778 8.959015 11.85175 
1 1 1  -24   10   24 o  598.931   7.9177  971.592   25.612  944.413   35.547  1000.94   36.935  590.237   11.145  607.624   11.249 -17.38715 15.83539 
1 1 1  -24   10   25 o  183.605   7.1512   90.567   7.0627   99.920   10.621   83.153   9.4562  192.024   10.236  175.186   9.9892 16.83864 14.30248 
1 1 1  -24   10   26 o  525.559   8.9311  738.362   23.786  717.624   28.798  782.883   42.195  514.537   10.358  536.581   14.553 -22.04303 17.86217 
1 1 1  -24   10   27 o  427.447   9.1039  496.427   21.024  494.595   29.987  498.198   29.485  426.647   13.007  428.247   12.742 -1.600159 18.20784 
1 1 1  -24   10   28 o  564.017   10.768  867.034   32.811  865.541   46.870  868.468   45.946  563.487   15.393  564.546   15.061 -1.058838 21.53570 
1 1 1  -24   10   29 o  360.264   8.3427  351.682   16.241   0.0000   0.0000  351.682   16.241  ?   ?   360.264   8.3427      ?      ? 
1 1 1  -24   10   30 o  305.955   8.6807  254.375   14.265  256.757   21.424  252.477   19.120  307.133   12.909  304.777   11.609 2.355408 17.36135 
1 1 1  -24   10   31 o  317.965   8.4515  275.625   14.474  266.892   21.138  283.333   19.861  313.112   12.493  322.818   11.385 -9.706116 16.90295 
1 1 1  -24   10   32 o  128.809   8.9780   45.120   6.2410   47.287   9.1134   43.206   8.5644  131.705   12.805  125.913   12.587 5.792107 17.95607 
1 1 1  -24   10   33 o  255.684   6.0478  177.250   8.3339  179.905   12.277  174.982   11.349  257.420   8.8262  253.949   8.2705 3.471283 12.09560 
1 1 1  -24   10   34 o  283.075   5.9987  217.638   9.1576  215.182   13.337  219.829   12.596  281.519   8.7673  284.632   8.1897 -3.112183 11.99741 
1 1 1  -24   10   35 o  194.566   6.8477  102.913   7.1816  103.116   10.538  102.737   9.8136  194.703   10.016  194.430   9.3407 0.2731171 13.69531 
1 1 1  -24   10   36 o  268.201   6.0442  195.665   8.7398  191.596   12.719  199.304   12.030  265.500   8.8655  270.902   8.2177 -5.402161 12.08834 
1 1 1  -24   10   37 o   76.317   14.303   16.619   5.9812   19.542   9.0259   14.330   7.9865   82.002   20.441   70.632   20.012 11.36979 28.60682 
1 1 1  -24   10   38 o  284.662   5.8375  220.398   8.9371  219.796   13.288  220.896   12.077  284.217   8.6520  285.107   7.8389 -0.8902588 11.67498 
1 1 1  -24   10   39 o  162.660   7.2548   72.086   6.3068   73.272   9.6951   71.215   8.3039  163.698   10.960  161.622   9.5081 2.076324 14.50969 
1 1 1  -24   10   40 o  179.972   6.8475   87.411   6.5898   95.119   10.232   81.948   8.6144  186.585   10.148  173.358   9.1958 13.22673 13.69490 
1 1 1  -24   10   41 o  149.597   7.6137   60.560   6.1004   67.225   9.4190   55.744   8.0066  156.522   11.136  142.673   10.385 13.84912 15.22734 
1 1 1  -24   10   42 o  118.026   9.3769   39.190   5.8566   34.487   8.8864   42.801   7.7871  111.326   14.772  124.726   11.554 -13.39932 18.75384 
1 1 1  -24   10   43 o  158.900   7.2900   69.245   6.2319   69.624   9.2673   68.932   8.4199  159.185   10.774  158.615   9.8237 0.5701447 14.58007 
1 1 1  -24   10   44 o  118.762   9.2227   37.758   5.8119   48.404   9.2800   30.888   7.4550  132.053   13.005  105.471   13.081 26.58189 18.44547 
1 1 1  -24   10   45 o  200.475   6.3638  108.624   6.8229  121.004   10.613   99.902   8.9077  209.956   9.3542  190.995   8.6309 18.96004 12.72768 
1 1 1  -24   10   46 o  217.355   6.2783  129.619   7.3477  129.180   10.846  129.992   9.9893  216.874   9.2549  217.837   8.4862 -0.9631348 12.55661 
1 1 1  -24   10   47 o   30.347   10.481 -13.1905   5.5017 -14.2574   8.7227 -12.4857   7.0898   32.152   15.653   28.542   13.943 3.610313 20.96214 
1 1 1  -24   10   48 o  124.048   14.136   43.449   9.4753   43.449   9.4753   0.0000   0.0000  124.048   14.136  ?   ?       ?      ? 
1 1 1  -24   10   49 o  104.879   11.902   35.333   5.9978   19.300   9.0841   47.724   7.9860   78.900   20.954  130.858   11.294 -51.95790 23.80368 
1 1 1  -24   10   50 o  127.565   9.1850   46.006   6.2842   45.591   9.4457   46.335   8.4173  126.693   13.797  128.436   12.128 -1.743027 18.37008 
1 1 1  -24   10   51 o   48.823   12.787   2.0728   5.6803 -11.0101   8.4815   12.714   7.6492   33.279   16.014   64.367   19.938 -31.08796 25.57323 
1 1 1  -24   10   52 o  131.354   9.3338   48.363   6.5726   57.590   9.9184   41.139   8.7763  142.529   12.878  120.178   13.514 22.35128 18.66767 
1 1 1  -24   10   53 o  113.925   10.509   37.133   6.3873   40.769   10.014   34.640   8.2934  118.119   15.689  109.730   13.987 8.388710 21.01843 
1 1 1  -24   10   54 o   85.961   13.816   23.574   6.2728   20.751   9.2910   25.938   8.5034   80.062   21.157   91.861   17.773 -11.79880 27.63163 
1 1 1  -24   10   55 o  129.930   9.2466   49.140   6.4496   46.102   9.4612   51.776   8.8152  125.560   13.945  134.301   12.147 -8.740372 18.49319 
1 1 1  -24   10   56 o   60.764   17.738   9.6493   9.3971   11.000   14.116   8.5743   12.593   62.791   25.838   58.736   24.309 4.055016 35.47573 
1 1 1  -24   10   57 o  408.585   14.683  490.766   32.419  490.766   32.419   0.0000   0.0000  408.585   14.683  ?   ?       ?      ? 
1 1 1  -24   10   58 o  118.004   26.907   54.572   16.777   54.572   16.777   0.0000   0.0000  118.004   26.907  ?   ?       ?      ? 
1 1 1  -24   10   59 o   58.492   17.421   10.103   9.3652   13.930   14.010   7.0113   12.592   62.673   25.759   54.311   23.461 8.362144 34.84161 
1 1 1  -24   10   60 o   98.850   13.656   33.850   7.0214   29.651   10.666   37.061   9.3273   89.537   22.164  108.163   15.958 -18.62589 27.31144 
1 1 1  -24   11    1 o  440.357   9.7908  525.636   23.278  501.802   32.971  549.324   32.870  430.369   14.177  450.344   13.507 -19.97491 19.58163 
1 1 1  -24   11    2 o  142.843   8.2150   55.661   6.2904   50.380   9.1971   60.302   8.6226  136.408   12.477  149.279   10.689 -12.87088 16.43008 
1 1 1  -24   11    3 o  645.883   8.3946  1128.06   29.282  1091.33   40.601  1167.89   42.271  634.940   11.833  656.827   11.910 -21.88647 16.78915 
1 1 1  -24   11    4 o  112.271   10.431   33.344   6.2439   41.961   9.6571   27.154   8.1847  124.447   14.361  100.095   15.132 24.35168 20.86176 
1 1 1  -24   11    5 f  517.198   9.9624  723.705   27.843   0.0000   0.0000  723.705   27.843  ?   ?   517.198   9.9624      ?      ? 
1 1 1  -24   11    6 o  410.231   6.3269  454.898   14.000  459.888   20.471  450.512   19.190  412.331   9.1875  408.130   8.7012 4.200684 12.65386 
1 1 1  -24   11    7 o  329.671   8.1576  293.911   14.532   0.0000   0.0000  293.911   14.532  ?   ?   329.671   8.1576      ?      ? 
1 1 1  -24   11    8 o  274.646   8.0675  203.984   11.973   0.0000   0.0000  203.984   11.973  ?   ?   274.646   8.0675      ?      ? 
1 1 1  -24   11   10 o  253.846   14.335  174.617   19.664  174.617   19.664   0.0000   0.0000  253.846   14.335  ?   ?       ?      ? 
1 1 1  -24   11   11 o  198.459   7.2516  108.283   7.6513   90.020   11.150  124.538   10.519  182.356   11.315  214.562   9.0727 -32.20625 14.50314 
1 1 1  -24   11   12 o   65.501   14.505   1.9361   7.4673 -13.5533   9.6118   25.518   11.860   36.098   17.286   94.904   23.298 -58.80561 29.01031 
1 1 1  -24   11   13 o   69.182   14.682   13.285   6.0807   8.8269   9.3220   16.587   8.0224   61.732   22.074   76.633   19.365 -14.90135 29.36398 
1 1 1  -24   11   14 o  217.740   6.4259  126.177   7.4891  144.067   11.608  113.419   9.8022  230.737   9.3097  204.744   8.8598 25.99344 12.85171 
1 1 1  -24   11   15 o  331.142   6.0663  296.115   10.803  302.140   16.158  291.243   14.528  334.164   8.9480  328.121   8.1936 6.042450 12.13270 
1 1 1  -24   11   16 o   89.861   13.233   22.576   6.1769   24.385   9.3987   21.201   8.1954   92.987   19.335   86.735   18.072 6.252068 26.46634 
1 1 1  -24   11   17 o  290.857   6.0432  229.171   9.4795  223.437   13.740  234.379   13.095  287.367   8.8485  294.348   8.2331 -6.980774 12.08634 
1 1 1  -24   11   18 o  185.473   7.0207   93.593   6.9871   88.489   10.345   97.874   9.4748  180.776   10.590  190.171   9.2202 -9.394699 14.04146 
1 1 1  -24   11   19 o  281.281   5.9790  214.598   9.0658  203.862   13.060  224.584   12.595  274.456   8.8058  288.105   8.0902 -13.64886 11.95797 
1 1 1  -24   11   20 o  276.345   5.9533  206.363   8.8655  210.859   13.091  202.553   12.049  279.107   8.6798  273.584   8.1505 5.522644 11.90670 
1 1 1  -24   11   21 o  399.796   6.2832  433.091   13.559  423.884   19.517  441.679   18.851  395.663   9.1283  403.929   8.6364 -8.265411 12.56641 
1 1 1  -24   11   22 o   61.128   14.611   9.5328   5.7951   6.8733   8.9077   11.484   7.6307   57.427   21.411   64.829   19.887 -7.402664 29.22155 
1 1 1  -24   11   23 o  283.444   6.0528  218.068   9.2402  209.179   13.456  226.000   12.711  277.936   8.9596  288.951   8.1407 -11.01538 12.10556 
1 1 1  -24   11   24 o  153.303   9.4859   65.470   7.6533   74.809   10.252   53.716   11.502  166.079   11.424  140.528   15.147 25.55161 18.97188 
1 1 1  -24   11   25 o  265.857   8.3329  191.922   11.913  190.676   17.714  192.950   16.096  265.009   12.370  266.705   11.169 -1.695862 16.66584 
1 1 1  -24   11   26 o  343.997   8.4189  320.555   15.586  329.730   23.246  313.063   21.006  348.392   12.348  339.603   11.447 8.789581 16.83771 
1 1 1  -24   11   27 o  506.319   10.054  697.725   27.478  707.432   39.896  688.964   37.901  509.591   14.488  503.048   13.943 6.542999 20.10749 
1 1 1  -24   11   28 o  358.882   6.1358  349.477   11.868  343.583   17.345  354.666   16.273  355.988   9.0166  361.776   8.3243 -5.788544 12.27167 
1 1 1  -24   11   29 o  193.178   9.8921   98.943   10.142  116.734   16.329   87.770   12.941  206.850   14.609  179.506   13.341 27.34360 19.78413 
1 1 1  -24   11   30 f  388.820   9.0288  411.279   18.901  417.793   28.043  405.856   25.587  391.516   13.255  386.125   12.263 5.390900 18.05762 
1 1 1  -24   11   31 o  232.222   7.5862  148.447   9.3350  157.314   12.289  136.351   14.353  240.690   9.4488  223.755   11.871 16.93544 15.17249 
1 1 1  -24   11   32 o   48.520   13.558   1.9123   5.8228  -6.2017   8.7961   8.2415   7.7687   39.399   18.096   57.642   20.195 -18.24331 27.11642 
1 1 1  -24   11   33 o  206.725   6.7880  116.019   7.5086  117.054   11.469  115.242   9.9331  207.449   10.231  206.001   8.9233 1.447464 13.57596 
1 1 1  -24   11   34 o  363.942   6.1281  360.071   12.038  349.001   17.257  370.565   16.802  358.434   8.9097  369.449   8.4161 -11.01440 12.25616 
1 1 1  -24   11   35 o  134.794   8.5829   49.119   6.1913   59.817   9.2460   40.423   8.3362  148.029   11.559  121.560   12.691 26.46867 17.16583 
1 1 1  -24   11   36 o   97.903   10.990   26.296   5.7973   28.723   8.5878   24.263   7.8579  102.025   15.577   93.780   15.506 8.245651 21.97944 
1 1 1  -24   11   37 o   78.157   13.611   16.868   5.7093   23.649   9.0493   12.384   7.3587   90.418   19.119   65.896   19.377 24.52181 27.22117 
1 1 1  -24   11   38 o   79.939   13.381   18.250   5.6886   22.250   8.5848   15.119   7.5956   87.674   18.692   72.204   19.153 15.46959 26.76214 
1 1 1  -24   11   39 o  239.685   6.0212  156.927   7.7536  151.443   11.484  161.521   10.511  235.711   9.0162  243.659   7.9831 -7.947968 12.04248 
1 1 1  -24   11   40 o   44.700   13.319   1.1930   5.4575  -0.2769   8.5142   2.2181   7.1102   44.697   19.300   44.702   18.359 -0.5233765E-02 26.63733 
1 1 1  -24   11   41 o   69.162   14.019   13.913   5.4675   14.416   8.3828   13.541   7.2129   70.245   20.688   68.078   18.924 2.167839 28.03798 
1 1 1  -24   11   42 o  175.398   7.0014   83.050   6.5362   91.378   10.349   77.524   8.4303  182.451   10.497  168.344   9.2673 14.10628 14.00271 
1 1 1  -24   11   43 o   47.834   13.713   2.3904   5.5771   6.7113   8.6040  -0.7407   7.3241   54.987   20.923   40.681   17.731 14.30555 27.42609 
1 1 1  -24   11   44 o  333.550   6.0058  304.811   10.794  300.296   15.806  308.757   14.776  331.056   8.8356  336.043   8.1369 -4.986786 12.01155 
1 1 1  -24   11   45 o  143.897   7.9408   56.516   6.1093   62.546   9.5080   52.275   7.9730  150.197   11.715  137.597   10.723 12.59908 15.88168 
1 1 1  -24   11   46 o  179.930   6.8874   87.316   6.6099  101.583   10.422   77.716   8.5491  191.842   10.054  168.017   9.4163 23.82582 13.77479 
1 1 1  -24   11   47 o   69.226   13.062   12.515   5.7649   25.780   8.7430   2.3109   7.6681   93.049   18.040   45.403   18.895 47.64587 26.12350 
1 1 1  -24   11   48 o  162.963   7.8815   75.609   6.7678   62.111   10.097   86.618   9.1195  148.809   12.557  177.117   9.5285 -28.30760 15.76307 
1 1 1  -24   11   49 o  124.115   9.5668   43.360   6.3266   45.302   9.8809   42.011   8.2364  126.024   14.510  122.206   12.473 3.818047 19.13353 
1 1 1  -24   11   50 o  242.919   6.2901  163.370   8.2267  159.014   12.062  167.159   11.249  239.624   9.3155  246.214   8.4549 -6.590149 12.58029 
1 1 1  -24   11   51 o   83.515   13.654   21.881   6.0527   18.702   8.9434   24.568   8.2218   76.908   20.951   90.122   17.514 -13.21400 27.30727 
1 1 1  -24   11   52 o   87.167   12.995   24.689   6.3785   9.5469   9.2573   38.375   8.8012   58.722   21.840  115.611   14.088 -56.88897 25.98964 
1 1 1  -24   11   53 o   61.653   15.283   11.468   6.2108   12.407   9.7569   10.828   8.0531   63.536   22.597   59.770   20.583 3.765869 30.56595 
1 1 1  -24   11   54 o  156.095   8.3129   69.087   6.9804   72.570   10.467   66.297   9.3680  159.346   12.156  152.844   11.343 6.501434 16.62584 
1 1 1  -24   11   55 o   59.203   15.846   10.761   7.3257   0.6394   14.033   14.553   8.5888   52.243   23.546   66.163   21.213 -13.92006 31.69235 
1 1 1  -24   11   58 o  112.156   17.108   47.522   10.016   50.405   15.042   45.225   13.426  113.985   25.100  110.327   23.253 3.657715 34.21581 
1 1 1  -24   11   59 o   52.406   15.386   7.3388   7.1416   6.0097   11.194   8.2511   9.2741   51.814   22.249   52.999   21.258 -1.185043 30.77228 
1 1 1  -24   11   60 f  134.109   10.759   57.898   7.5840   48.362   11.266   65.800   10.255  121.038   17.226  147.179   12.895 -26.14040 21.51745 
1 1 1  -24   12    1 o  119.762   9.6861   39.728   6.1304   32.228   9.0348   46.126   8.3456  109.010   15.338  130.514   11.834 -21.50360 19.37218 
1 1 1  -24   12    2 o  378.817   6.1967  388.074   12.667  390.422   18.432  385.973   17.437  379.891   8.9787  377.744   8.5426 2.147339 12.39332 
1 1 1  -24   12    3 o  373.792   6.2027  378.161   12.512  373.817   18.107  382.131   17.310  371.724   9.0144  375.860   8.5228 -4.136444 12.40550 
1 1 1  -24   12    4 o  432.336   6.5643  506.022   15.326  492.246   21.856  519.348   21.496  426.531   9.4827  438.142   9.0795 -11.61099 13.12852 
1 1 1  -24   12    5 o  271.668   6.1356  200.189   8.9820  186.324   12.851  213.429   12.559  262.432   9.0625  280.904   8.2736 -18.47125 12.27113 
1 1 1  -24   12    6 o  243.276   6.2756  158.952   8.1862  169.076   12.519  151.389   10.820  249.980   9.2681  236.572   8.4638 13.40845 12.55129 
1 1 1  -24   12    7 o  268.959   6.2272  196.657   9.0061  180.868   13.026  211.118   12.466  258.545   9.3235  279.374   8.2575 -20.82904 12.45446 
1 1 1  -24   12    8 o  681.991   8.8087  1259.98   32.461  1244.74   45.792  1275.36   46.023  677.841   12.502  686.141   12.413 -8.300781 17.61744 
1 1 1  -24   12    9 o  169.008   8.0139   79.082   7.1455   66.855   10.800   88.602   9.5295  157.079   12.724  180.938   9.7466 -23.85809 16.02785 
1 1 1  -24   12   10 o  241.704   8.4321  150.358   9.5665  174.324   19.701  142.964   10.943  253.539   14.380  229.870   8.8100 23.66937 16.86412 
1 1 1  -24   12   11 f  205.794   9.8044  125.309   9.1525   95.158   17.714  136.291   10.690  187.148   17.516  224.439   8.8144 -37.29042 19.60881 
1 1 1  -24   12   12 o  108.951   13.572   27.891   8.1568   3.8404   10.149   71.779   13.709   55.266   22.213  162.635   15.599 -107.3693 27.14311 
1 1 1  -24   12   13 o  446.206   13.243  539.640   31.931   0.0000   0.0000  539.640   31.931  ?   ?   446.206   13.243      ?      ? 
1 1 1  -24   12   14 o  276.456   6.1999  201.908   9.1468  240.661   14.366  175.485   11.862  298.233   8.9141  254.679   8.6194 43.55354 12.39983 
1 1 1  -24   12   15 o  523.651   7.2593  742.405   20.530  741.838   29.529  742.936   28.561  523.440   10.440  523.863   10.090 -0.4235840 14.51864 
1 1 1  -24   12   16 o  359.659   6.2549  350.417   12.141  331.812   17.219  368.815   17.123  350.137   9.1007  369.180   8.5832 -19.04288 12.50976 
1 1 1  -24   12   17 o  105.904   11.571   31.208   6.3760   28.896   9.6195   33.020   8.5151  101.518   18.204  110.289   14.288 -8.770844 23.14190 
1 1 1  -24   12   18 o  233.623   6.4074  148.690   8.0336  137.407   11.778  158.505   10.986  225.250   9.6769  241.996   8.4009 -16.74593 12.81472 
1 1 1  -24   12   19 o  408.244   6.3616  451.375   14.019  448.391   20.253  454.121   19.426  406.928   9.2107  409.561   8.7774 -2.633453 12.72321 
1 1 1  -24   12   20 o  386.888   6.2703  405.065   13.089  408.912   19.085  401.649   17.984  388.601   9.0887  385.175   8.6406 3.425568 12.54053 
1 1 1  -24   12   21 o  239.305   6.4464  155.531   8.2889  150.500   12.282  159.738   11.233  235.709   9.6429  242.902   8.5578 -7.193832 12.89270 
1 1 1  -24   12   22 o  358.011   6.1933  347.209   11.961  344.781   17.394  349.386   16.475  356.799   9.0215  359.224   8.4876 -2.424133 12.38650 
1 1 1  -24   12   23 o  132.744   13.634   51.026   8.9518   31.486   12.758   69.977   12.564  105.085   23.097  160.404   14.495 -55.31942 27.26871 
1 1 1  -24   12   24 o  366.778   8.5953  363.628   16.957  382.432   25.465  348.649   22.728  375.193   12.560  358.362   11.737 16.83072 17.19055 
1 1 1  -24   12   25 o  287.591   8.2666  224.652   12.818  224.459   18.758  224.820   17.556  287.425   12.078  287.757   11.291 -0.3319092 16.53317 
1 1 1  -24   12   26 o  114.506   12.517   36.419   7.1177   36.396   12.246   36.431   8.7469  113.362   20.756  115.649   13.997 -2.286560 25.03407 
1 1 1  -24   12   27 o  468.865   6.8874  596.605   17.441  573.893   24.628  619.457   24.703  459.876   9.9107  477.854   9.5669 -17.97809 13.77489 
1 1 1  -24   12   28 o  385.366   9.0602  405.252   18.825  385.360   27.073  423.874   26.194  376.069   13.322  394.663   12.283 -18.59439 18.12042 
1 1 1  -24   12   29 o  246.305   9.2064  166.111   12.138  159.549   18.260  171.306   16.247  241.760   13.977  250.849   11.986 -9.088989 18.41272 
1 1 1  -24   12   30 o   36.288   12.290 -13.2432   6.8538 -11.4168   9.1472 -15.5811   10.349   36.039   17.148   36.537   17.609 -0.4978104 24.57952 
1 1 1  -24   12   31 o  254.004   6.0933  174.827   8.3251  178.406   12.435  171.919   11.207  256.305   8.9787  251.703   8.2399 4.601120 12.18655 
1 1 1  -24   12   32 o  173.904   7.4690   82.680   6.9075   80.068   10.673   84.562   9.0607  171.411   11.523  176.397   9.5057 -4.985947 14.93801 
1 1 1  -24   12   33 o   65.524   13.478   11.925   5.7802   1.8176   8.9035   19.288   7.5994   48.964   20.367   82.085   17.657 -33.12061 26.95504 
1 1 1  -24   12   34 o  301.147   5.9961  246.651   9.7475  240.373   13.988  252.578   13.591  297.372   8.7048  304.922   8.2486 -7.549713 11.99216 
1 1 1  -24   12   35 o  212.016   6.4332  120.837   7.2571  130.766   11.478  114.225   9.3666  219.076   9.6962  204.957   8.4573 14.11833 12.86632 
1 1 1  -24   12   36 o  147.868   7.9981   59.377   6.2833   62.062   9.9229   57.580   8.1181  150.493   12.202  145.244   10.344 5.248947 15.99628 
1 1 1  -24   12   37 f   98.658   11.265   26.546   5.8040   32.497   9.1843   22.589   7.4889  108.329   15.690   88.987   16.170 19.34203 22.53047 
1 1 1  -24   12   38 f  243.093   6.1739  159.852   8.0200  168.544   12.429  153.650   10.498  248.590   9.2525  237.596   8.1768 10.99385 12.34783 
1 1 1  -24   12   39 o  129.582   9.1038   48.375   6.0815   36.235   9.2705   57.547   8.0575  114.188   15.024  144.975   10.285 -30.78739 18.20769 
1 1 1  -24   12   40 o   59.004   12.212   8.6354   5.4345  -6.2660   8.6401   18.390   6.9904   38.408   17.746   79.599   16.781 -41.19135 24.42386 
1 1 1  -24   12   41 o   81.421   13.068   18.556   5.6436   27.078   8.8825   12.786   7.3084   96.617   17.664   66.226   19.264 30.39097 26.13677 
1 1 1  -24   12   42 o   60.331   14.355   8.9425   5.6570   15.041   8.8842   4.7835   7.3366   71.351   21.368   49.310   19.175 22.04159 28.70975 
1 1 1  -24   12   43 o  227.775   6.2455  140.710   7.6001  151.449   11.827  133.156   9.9192  234.925   9.3167  220.625   8.3202 14.29945 12.49107 
1 1 1  -24   12   44 o  254.316   6.1145  177.331   8.3625  176.144   12.424  178.314   11.308  253.357   9.0746  255.275   8.1975 -1.918167 12.22892 
1 1 1  -24   12   45 o  104.512   10.848   30.771   6.0989   35.113   9.0116   27.102   8.2846  111.386   14.972   97.637   15.702 13.74904 21.69626 
1 1 1  -24   12   46 o  125.493   9.2703   44.255   6.1757   43.762   9.6358   44.598   8.0453  124.448   14.329  126.538   11.766 -2.089508 18.54068 
1 1 1  -24   12   47 o  276.866   8.1760  210.415   12.232   0.0000   0.0000  210.415   12.232  ?   ?   276.866   8.1760      ?      ? 
1 1 1  -24   12   48 f   93.281   12.497   25.966   6.0148   26.885   9.2136   25.284   7.9403   94.192   18.761   92.370   16.514 1.822159 24.99397 
1 1 1  -24   12   49 o  143.357   8.6324   56.869   6.6276   66.377   10.217   49.961   8.7081  153.468   12.321  133.245   12.094 20.22267 17.26473 
1 1 1  -24   12   50 o   80.804   14.194   20.176   6.1512   23.428   9.2987   17.645   8.2023   86.501   20.251   75.107   19.894 11.39410 28.38781 
1 1 1  -24   12   51 o   45.305   13.730   1.4770   5.9804   1.1217   8.9941   1.7586   8.0069   45.940   19.837   44.670   18.989 1.270813 27.46053 
1 1 1  -24   12   52 o  113.989   10.850   38.123   6.6482   36.206   9.7291   39.801   9.1058  110.762   16.255  117.215   14.376 -6.452194 21.70052 
1 1 1  -24   12   53 o   79.194   14.688   20.188   6.2983   21.420   9.7702   19.312   8.2388   80.624   21.871   77.764   19.610 2.860062 29.37508 
1 1 1  -24   12   54 o  198.609   7.5558  112.686   8.0342  106.171   11.969  118.029   10.839  192.585   11.501  204.633   9.8025 -12.04785 15.11158 
1 1 1  -24   12   55 o   65.495   17.517  -7.9140   10.925   37.523   17.986 -34.4820   13.753   97.212   30.648   33.778   16.973 63.43452 35.03422 
1 1 1  -24   12   57 o   40.647   13.977 -12.9263   9.7669  -9.1261   13.893 -16.6396   13.733   42.614   20.504   38.680   19.000 3.934570 27.95344 
1 1 1  -24   12   58 o   71.840   17.582   16.090   8.0629   32.883   14.698   8.8605   9.6435   89.200   27.639   54.480   21.738 34.72063 35.16355 
1 1 1  -24   12   59 o   64.340   16.190   16.322   7.0831   15.844   10.596   16.709   9.5237   63.159   23.390   65.521   22.390 -2.361599 32.37920 
1 1 1  -24   13    1 o  193.403   10.287  101.255   10.751  101.255   10.751   0.0000   0.0000  193.403   10.287  ?   ?       ?      ? 
1 1 1  -24   13    2 o  531.625   7.3461  765.084   21.102  752.131   29.767  778.169   29.918  527.095   10.451  536.154   10.326 -9.058899 14.69221 
1 1 1  -24   13    3 o  372.862   6.2269  376.327   12.540  368.742   17.900  383.636   17.572  369.161   8.9734  376.563   8.6357 -7.401520 12.45381 
1 1 1  -24   13    4 o  181.792   7.5861   87.584   7.3715  106.508   11.386   73.928   9.6721  198.344   10.623  165.240   10.832 33.10454 15.17214 
1 1 1  -24   13    5 o  792.316   9.9968  1701.61   42.793  1666.19   59.845  1738.67   61.214  783.883   14.128  800.748   14.147 -16.86578 19.99365 
1 1 1  -24   13    6 f  513.494   7.2327  713.581   20.052  717.860   29.001  709.662   27.755  514.950   10.422  512.038   10.031 2.911865 14.46534 
1 1 1  -24   13    7 o  720.928   12.956  1408.51   50.473   0.0000   0.0000  1408.51   50.473  ?   ?   720.928   12.956      ?      ? 
1 1 1  -24   13    8 o  251.733   6.5268  171.040   8.8471  176.508   13.156  166.525   11.954  255.384   9.5332  248.083   8.9170 7.301590 13.05356 
1 1 1  -24   13    9 o  670.686   8.7436  1215.43   31.641  1157.39   43.327  1281.74   46.316  653.593   12.268  687.780   12.462 -34.18713 17.48720 
1 1 1  -24   13   10 o  705.918   12.741  1350.52   48.602   0.0000   0.0000  1350.52   48.602  ?   ?   705.918   12.741      ?      ? 
1 1 1  -24   13   11 o  290.551   8.4402  235.665   11.603  214.234   22.245  243.675   13.599  280.995   14.650  300.107   8.3858 -19.11209 16.88035 
1 1 1  -24   13   12 o  186.519   17.497   94.595   17.635   94.595   17.635   0.0000   0.0000  186.519   17.497  ?   ?       ?      ? 
1 1 1  -24   13   13 o  111.450   14.112   32.975   8.1702   27.254   10.365   42.365   13.278   98.222   20.203  124.678   19.708 -26.45601 28.22344 
1 1 1  -24   13   14 o  135.812   11.129   48.203   7.9856   41.321   10.080   59.797   13.085  123.330   15.126  148.294   16.329 -24.96450 22.25865 
1 1 1  -24   13   15 o  482.430   9.6755  630.312   25.223   0.0000   0.0000  630.312   25.223  ?   ?   482.430   9.6755      ?      ? 
1 1 1  -24   13   16 o  318.256   6.1564  274.259   10.561  273.402   15.477  275.006   14.448  317.768   9.0134  318.744   8.3883 -0.9758301 12.31277 
1 1 1  -24   13   17 o  182.951   7.5591   91.960   7.3650   80.725   10.941  101.270   9.9595  172.534   11.735  193.368   9.5316 -20.83339 15.11826 
1 1 1  -24   13   18 o  326.240   6.2219  285.930   10.891  306.350   16.618  270.557   14.419  336.342   9.1435  316.137   8.4406 20.20529 12.44375 
1 1 1  -24   13   19 f  289.207   6.2234  226.609   9.7063  224.390   14.144  228.584   13.344  287.846   9.0934  290.567   8.4990 -2.721191 12.44678 
1 1 1  -24   13   20 f  239.401   9.7179  155.288   12.571  155.288   12.571   0.0000   0.0000  239.401   9.7179  ?   ?       ?      ? 
1 1 1  -24   13   21 o  108.516   14.829   34.491   8.3313   22.995   12.379   44.009   11.264   89.955   24.709  127.076   16.404 -37.12061 29.65844 
1 1 1  -24   13   22 o  194.242   9.5180  101.192   9.9193  118.626   15.026   87.725   13.206  208.882   13.312  179.602   13.607 29.27948 19.03599 
1 1 1  -24   13   23 o  292.394   8.5619  232.750   13.499  217.973   19.242  247.072   18.943  283.172   12.575  301.615   11.623 -18.44302 17.12373 
1 1 1  -24   13   24 o  293.437   7.5155  234.122   11.090  232.658   19.655  234.805   13.432  292.510   12.435  294.363   8.4442 -1.852844 15.03098 
1 1 1  -24   13   25 o  304.432   8.2212  251.148   13.524   0.0000   0.0000  251.148   13.524  ?   ?   304.432   8.2212      ?      ? 
1 1 1  -24   13   26 o  111.273   11.829   36.314   6.5180   26.748   10.166   42.991   8.4936   96.867   20.081  125.680   12.507 -28.81300 23.65706 
1 1 1  -24   13   27 o  458.787   9.6749  574.361   23.969  548.874   33.847  600.000   33.948  448.482   13.966  469.092   13.393 -20.60953 19.34986 
1 1 1  -24   13   28 o  265.764   9.2827  193.195   13.018  190.473   20.694  194.977   16.747  263.922   14.511  267.606   11.581 -3.683899 18.56545 
1 1 1  -24   13   29 o  283.132   7.5984  215.752   11.214  209.288   14.016  227.252   18.695  277.553   9.3453  288.710   11.984 -11.15637 15.19677 
1 1 1  -24   13   30 o   43.256   13.238  -2.4484   5.7486   3.1708   9.0052  -6.3133   7.4684   51.210   20.803   35.302   16.377 15.90813 26.47638 
1 1 1  -24   13   31 o   77.411   14.574   17.293   6.1613   16.449   9.5541   17.893   8.0616   75.938   22.007   78.884   19.113 -2.945526 29.14862 
1 1 1  -24   13   32 o  142.101   8.7170   57.009   6.4535   41.745   9.4367   70.419   8.8453  123.381   14.154  160.821   10.178 -37.44066 17.43392 
1 1 1  -24   13   33 o   97.031   12.361   28.177   5.9801   20.784   9.5944   32.874   7.6473   84.525   21.078  109.538   12.920 -25.01338 24.72257 
1 1 1  -24   13   34 o   60.161   14.863   8.9047   5.9355   11.647   9.0643   6.8464   7.8534   65.593   21.843   54.729   20.162 10.86426 29.72598 
1 1 1  -24   13   35 o  138.489   8.4733   52.274   6.2971   54.753   9.5691   50.380   8.3631  141.281   12.534  135.697   11.405 5.583694 16.94667 
1 1 1  -24   13   36 o  291.385   6.0016  232.193   9.4029  215.551   13.660  247.181   12.963  281.285   8.9869  301.486   7.9571 -20.20047 12.00330 
1 1 1  -24   13   37 o   57.403   13.643   5.6876   5.6020   16.508   8.8438  -1.5636   7.2397   75.146   20.978   39.659   17.448 35.48672 27.28564 
1 1 1  -24   13   38 o  274.869   6.1565  206.122   9.0686  206.233   13.734  206.036   12.076  274.763   9.2500  274.976   8.1270 -0.2121887 12.31301 
1 1 1  -24   13   39 o  119.921   9.6972   40.276   6.1837   37.144   9.3965   42.668   8.2127  115.452   15.062  124.390   12.218 -8.937241 19.39448 
1 1 1  -24   13   40 o  206.802   6.4991  116.656   7.2070  119.584   10.945  114.414   9.5761  208.945   9.6939  204.660   8.6590 4.285446 12.99811 
1 1 1  -24   13   41 o  178.714   7.2720   87.700   6.9084   88.166   10.791   87.376   8.9926  178.846   11.166  178.581   9.3189 0.2658997 14.54407 
1 1 1  -24   13   42 o  230.922   6.3907  145.549   7.9201  151.740   12.020  140.798   10.529  235.080   9.4623  226.764   8.5925 8.315979 12.78150 
1 1 1  -24   13   43 o  149.356   8.3397   62.988   6.5392   56.365   10.215   67.587   8.5116  142.055   13.308  156.657   10.055 -14.60268 16.67930 
1 1 1  -24   13   44 o  145.331   8.1957   58.940   6.3400   57.168   9.7581   60.234   8.3401  143.058   12.623  147.605   10.456 -4.546967 16.39142 
1 1 1  -24   13   45 o  113.222   10.161   34.982   6.0976   43.144   9.8675   29.940   7.7557  123.385   14.800  103.060   13.927 20.32490 20.32201 
1 1 1  -24   13   46 o  105.534   12.443   36.829   6.3231   16.467   9.4956   53.052   8.4755   73.051   22.139  138.017   11.364 -64.96514 24.88530 
1 1 1  -24   13   47 o  117.178   10.221   39.158   6.3085   38.952   10.072   39.291   8.0926  116.223   16.037  118.133   12.677 -1.910072 20.44271 
1 1 1  -24   13   48 o   41.444   13.022  -1.4640   5.8598  -3.4362   8.7870   0.1156   7.8636   40.550   18.418   42.339   18.414 -1.789452 26.04457 
1 1 1  -24   13   49 o   73.921   14.445   17.466   6.1242   12.737   9.1430   21.315   8.2478   64.686   21.938   83.155   18.797 -18.46919 28.88989 
1 1 1  -24   13   50 o   48.297   14.263   3.2004   6.2227   1.5376   9.3753   4.5098   8.3195   47.255   20.329   49.340   20.013 -2.084743 28.52650 
1 1 1  -24   13   51 o  130.643   9.8509   48.079   6.7842   65.108   10.387   35.410   8.9590  151.048   12.726  110.237   15.040 40.81127 19.70175 
1 1 1  -24   13   52 o   66.364   14.536   12.334   6.3469   23.164   9.6431   4.0566   8.4303   84.460   21.170   48.269   19.926 36.19112 29.07287 
1 1 1  -24   13   53 o  104.055   12.346   33.340   6.6700   34.534   10.430   32.514   8.6763  103.783   19.308  104.326   15.391 -0.5427017 24.69145 
1 1 1  -24   13   54 o   44.279   14.900 -12.3551   9.7409  -3.0473   14.568 -19.8806   13.100   50.515   23.233   38.044   18.661 12.47009 29.79964 
1 1 1  -24   13   56 o   56.981   17.319   9.1437   10.004   1.4182   15.190   15.061   13.293   51.118   23.588   62.843   25.365 -11.72495 34.63739 
1 1 1  -24   13   57 o   63.777   17.893   14.541   9.1577   16.984   13.653   12.543   12.347   66.706   26.097   60.847   24.485 5.859249 35.78532 
1 1 1  -24   13   58 o   48.434   14.683   5.4017   6.8609   4.9049   10.248   5.8052   9.2364   48.415   21.039   48.453   20.486 -0.3825760E-01 29.36540 
1 1 1  -24   14    1 o  305.522   6.2191  252.463   10.240  254.839   15.073  250.426   13.955  306.838   9.0909  304.205   8.4891 2.633057 12.43823 
1 1 1  -24   14    2 o  145.752   8.5930   57.289   6.7412   60.771   10.088   54.479   9.0618  149.721   12.469  141.783   11.828 7.937912 17.18603 
1 1 1  -24   14    3 o  216.683   6.7536  126.951   7.8818  128.965   11.668  125.261   10.689  218.246   9.8938  215.120   9.1956 3.125900 13.50727 
1 1 1  -24   14    4 o  372.962   6.3782  376.487   12.823  376.595   18.805  376.393   17.531  372.989   9.3302  372.935   8.6992 0.5371094E-01 12.75647 
1 1 1  -24   14    5 o  460.901   9.5090  575.096   23.683   0.0000   0.0000  575.096   23.683  ?   ?   460.901   9.5090      ?      ? 
1 1 1  -24   14    6 f  277.417   8.6171  208.280   12.918   0.0000   0.0000  208.280   12.918  ?   ?   277.417   8.6171      ?      ? 
1 1 1  -24   14    7 o  621.194   8.2601  1045.63   27.723  1022.80   38.907  1069.18   39.513  614.301   11.721  628.086   11.642 -13.78516 16.52018 
1 1 1  -24   14    8 o  455.158   6.8322  561.220   16.796  543.239   23.822  578.993   23.684  447.886   9.8428  462.429   9.4781 -14.54285 13.66436 
1 1 1  -24   14    9 o  409.571   6.5670  454.439   14.513  449.151   21.029  459.248   20.055  407.270   9.5554  411.873   9.0111 -4.603180 13.13409 
1 1 1  -24   14   10 o  510.749   7.2520  706.874   20.006  698.897   28.613  714.504   27.984  507.906   10.426  513.591   10.083 -5.684967 14.50393 
1 1 1  -24   14   12 o  445.603   8.6958  532.014   18.723  553.378   35.951  524.064   21.932  451.280   14.743  439.925   9.2259 11.35574 17.39164 
1 1 1  -24   14   13 o  317.539   14.109  273.874   24.210  273.874   24.210   0.0000   0.0000  317.539   14.109  ?   ?       ?      ? 
1 1 1  -24   14   14 o  157.973   10.342   65.306   8.6044   57.353   10.795   79.167   14.250  145.324   13.746  170.623   15.455 -25.29948 20.68391 
1 1 1  -24   14   15 o  198.587   8.9897  104.291   9.0888   99.234   11.006  115.135   16.116  191.344   10.644  205.830   14.490 -14.48521 17.97939 
1 1 1  -24   14   16 o  190.327   7.3037   97.035   7.4516  107.034   11.453   89.696   9.8125  198.711   10.666  181.943   9.9805 16.76772 14.60745 
1 1 1  -24   14   17 o   91.065   13.598   23.958   6.5097   18.388   10.024   28.019   8.5602   80.665   22.267  101.465   15.613 -20.80085 27.19529 
1 1 1  -24   14   18 o  360.580   7.5364  350.625   14.144  345.501   17.697  359.685   23.530  357.121   9.1708  364.038   11.962 -6.916748 15.07274 
1 1 1  -24   14   19 o  169.615   10.685   78.693   9.7445   73.559   14.198   83.266   13.399  164.281   15.994  174.948   14.173 -10.66774 21.36990 
1 1 1  -24   14   20 o  114.849   14.738   36.651   8.8870   44.617   13.045   29.752   12.140  127.660   18.911  102.039   22.611 25.62027 29.47699 
1 1 1  -24   14   21 o  463.841   9.6074  585.409   24.068  590.541   34.660  580.631   33.447  465.758   13.772  461.925   13.400 3.832153 19.21484 
1 1 1  -24   14   22 o  463.701   8.4302  582.914   19.769  588.739   34.801  580.139   24.020  464.923   13.852  462.479   9.6116 2.443848 16.86030 
1 1 1  -24   14   23 o   71.458   15.311   14.324   6.5053   10.944   9.9401   16.857   8.6037   66.000   22.860   76.916   20.376 -10.91570 30.62235 
1 1 1  -24   14   24 o  396.286   6.4607  426.113   13.795  424.214   20.266  427.754   18.832  395.402   9.4852  397.170   8.7748 -1.767975 12.92149 
1 1 1  -24   14   25 o  140.542   9.2900   51.837   6.9207   67.594   11.043   41.645   8.8812  157.491   12.976  123.592   13.298 33.89890 18.58007 
1 1 1  -24   14   26 o  318.635   9.0885  278.521   15.479  264.640   23.343  289.414   20.679  311.261   13.878  326.010   11.739 -14.74844 18.17702 
1 1 1  -24   14   27 o  324.489   9.2794  289.552   16.072  273.198   24.309  302.252   21.423  315.986   14.237  332.992   11.906 -17.00674 18.55886 
1 1 1  -24   14   28 o  179.931   8.7422   85.874   8.3177   77.255   10.533  100.158   13.558  168.376   11.576  191.487   13.103 -23.11115 17.48449 
1 1 1  -24   14   29 o  117.062   10.070   37.508   6.3025   37.583   9.6397   37.452   8.3293  117.052   15.240  117.072   13.166 -0.1973724E-01 20.14014 
1 1 1  -24   14   30 f  316.432   6.1362  272.577   10.451  264.707   15.347  279.381   14.272  312.079   9.1008  320.785   8.2332 -8.705994 12.27232 
1 1 1  -24   14   31 o  119.439   9.9519   39.466   6.2897   37.515   9.8118   40.827   8.1950  116.705   15.559  122.173   12.413 -5.467659 19.90376 
1 1 1  -24   14   32 o  333.295   6.1528  301.836   11.033  305.604   16.428  298.739   14.892  335.091   9.0727  331.500   8.3134 3.591064 12.30554 
1 1 1  -24   14   33 o  190.943   7.0794   98.728   7.2304  104.316   11.165   94.692   9.4890  195.460   10.571  186.426   9.4195 9.033249 14.15878 
1 1 1  -24   14   34 o  330.226   6.1153  297.117   10.859  293.810   16.122  299.863   14.692  328.416   9.0848  332.036   8.1885 -3.620209 12.23053 
1 1 1  -24   14   35 o  184.864   7.0099   92.489   6.9551  100.108   10.606   86.742   9.2123  191.418   10.254  178.311   9.5610 13.10721 14.01988 
1 1 1  -24   14   36 o   73.875   12.700   16.368   5.8665   3.1609   8.9795   26.202   7.7488   50.533   20.679   97.218   14.750 -46.68512 25.40029 
1 1 1  -24   14   37 o   71.374   14.760   14.771   5.9339   15.241   9.6477   14.484   7.5257   72.414   22.386   70.334   19.243 2.079391 29.51992 
1 1 1  -24   14   38 o  200.732   6.8632  111.307   7.3288  103.893   11.178  116.896   9.7059  194.554   10.633  206.910   8.6810 -12.35626 13.72634 
1 1 1  -24   14   39 o  153.379   8.0157   64.865   6.4774   64.416   10.355   65.153   8.3023  152.614   12.556  154.144   9.9674 -1.530258 16.03144 
1 1 1  -24   14   40 o   42.947   13.312  -1.3638   5.7941   0.9459   9.2123  -2.8754   7.4527   47.545   20.294   38.348   17.233 9.196918 26.62326 
1 1 1  -24   14   41 o  168.538   7.4886   77.331   6.6519   82.805   10.809   73.993   8.4393  172.949   11.566  164.126   9.5157 8.823151 14.97723 
1 1 1  -24   14   42 o   58.670   14.340   9.5129   5.6534   5.5689   9.1745   11.927   7.1781   53.683   21.271   63.657   19.239 -9.973770 28.68084 
1 1 1  -24   14   43 o  150.635   8.0133   61.843   6.4595   72.147   10.010   54.488   8.4560  161.130   11.496  140.139   11.166 20.99091 16.02656 
1 1 1  -24   14   44 f  138.447   8.8257   52.948   6.4221   56.388   10.495   50.889   8.1197  141.510   13.725  135.385   11.099 6.125519 17.65141 
1 1 1  -24   14   45 o   98.259   11.856   28.217   6.0240   28.141   9.4546   28.269   7.8158   96.725   18.766   99.793   14.494 -3.068764 23.71161 
1 1 1  -24   14   46 o   63.959   14.499   10.653   6.0089   19.667   9.4065   4.4396   7.8102   79.219   21.448   48.698   19.517 30.52096 28.99857 
1 1 1  -24   14   47 o  100.038   12.144   30.809   6.1200   24.451   9.5433   35.250   7.9760   88.592   20.362  111.484   13.240 -22.89136 24.28779 
1 1 1  -24   14   48 o   79.031   14.273   20.469   6.2432   14.272   9.9308   24.518   8.0281   67.823   22.865   90.240   17.089 -22.41763 28.54539 
1 1 1  -24   14   49 o   73.115   15.203   17.056   6.4173   15.624   9.6527   18.190   8.5907   70.273   22.484   75.958   20.468 -5.685951 30.40544 
1 1 1  -24   14   50 o   45.396   13.759   1.5954   5.9792   3.0902   9.1374   0.4761   7.9070   48.362   20.408   42.431   18.460 5.930889 27.51797 
1 1 1  -24   14   51 o   39.284   12.799  -4.2143   6.1896  -5.2377   9.7905  -3.5329   7.9887   40.646   18.819   37.921   17.354 2.724468 25.59894 
1 1 1  -24   14   52 o   93.653   13.877   27.825   6.7470   33.200   10.428   23.955   8.8487  101.393   19.743   85.912   19.506 15.48086 27.75364 
1 1 1  -24   14   53 o   45.183   15.143  -9.4285   9.8539 -10.5676   14.744  -8.5090   13.247   45.818   21.793   44.548   21.030 1.270157 30.28505 
1 1 1  -24   14   54 o   63.816   27.383   9.6351   16.933   9.6351   16.933   0.0000   0.0000   63.816   27.383  ?   ?       ?      ? 
1 1 1  -24   14   55 o   40.449   19.709 -14.4234   13.913 -14.4234   13.913   0.0000   0.0000   40.449   19.709  ?   ?       ?      ? 
1 1 1  -24   14   56 o   74.687   18.845   22.603   9.7544   28.018   14.075   17.599   13.531   82.074   27.214   67.300   26.077 14.77366 37.69051 
1 1 1  -24   14   57 o   38.005   12.555  -5.0169   6.6202 -12.4298   10.176   0.4222   8.7170   34.471   16.809   41.539   18.654 -7.067734 25.11016 
1 1 1  -24   15    1 o  116.033   10.492   36.716   6.5556   34.094   9.4246   39.173   9.1247  111.972   15.576  120.094   14.061 -8.122421 20.98405 
1 1 1  -24   15    2 o  577.036   10.986  902.520   34.255   0.0000   0.0000  902.520   34.255  ?   ?   577.036   10.986      ?      ? 
1 1 1  -24   15    3 o  254.456   6.4481  175.299   8.8330  175.624   13.074  175.025   11.981  254.650   9.5015  254.263   8.7199 0.3868561 12.89627 
1 1 1  -24   15    4 o  465.858   9.5891  587.796   24.139   0.0000   0.0000  587.796   24.139  ?   ?   465.858   9.5891      ?      ? 
1 1 1  -24   15    5 f   90.191   18.255   22.959   8.5916   0.0000   0.0000   22.959   8.5916  ?   ?    90.191   18.255      ?      ? 
1 1 1  -24   15    6 o  442.824   9.4293  531.074   22.563   0.0000   0.0000  531.074   22.563  ?   ?   442.824   9.4293      ?      ? 
1 1 1  -24   15    7 o  184.914   7.2900   92.756   7.2705   90.683   10.543   94.637   10.040  182.922   10.666  186.906   9.9404 -3.983170 14.58007 
1 1 1  -24   15    8 o   50.599   14.475   2.7879   6.1481   4.6839   9.0390   1.1555   8.3870   54.029   21.207   47.170   19.706 6.858776 28.94920 
1 1 1  -24   15    9 o  385.347   6.4904  402.421   13.504  385.661   19.164  418.948   19.031  377.351   9.3984  393.343   8.9538 -15.99200 12.98074 
1 1 1  -24   15   10 o  222.360   6.9618  134.667   8.3054  126.846   12.287  141.247   11.270  216.341   10.510  228.378   9.1326 -12.03711 13.92357 
1 1 1  -24   15   11 o  247.133   6.8180  164.802   9.0460  170.952   13.695  160.042   12.049  251.176   10.090  243.090   9.1725 8.085419 13.63602 
1 1 1  -24   15   12 o  302.948   6.3254  248.288   10.311  251.291   15.349  245.819   13.918  304.585   9.3257  301.311   8.5484 3.273529 12.65088 
1 1 1  -24   15   13 f  394.368   8.4315  424.837   16.255  415.315   30.151  428.738   19.299  390.867   14.275  397.869   8.9767 -7.001404 16.86301 
1 1 1  -24   15   14 o  180.783   10.944   82.411   8.7546  100.721   19.840   77.985   9.7557  191.976   19.126  169.591   10.646 22.38493 21.88873 
1 1 1  -24   15   15 o  498.657   9.0182  668.274   22.760  655.319   27.578  695.946   40.305  491.611   10.381  505.703   14.749 -14.09213 18.03645 
1 1 1  -24   15   16 o  242.564   12.454  159.842   16.324  159.842   16.324   0.0000   0.0000  242.564   12.454  ?   ?       ?      ? 
1 1 1  -24   15   17 o  145.314   11.760   57.840   9.2021   54.054   13.265   61.351   12.776  140.639   17.455  149.989   15.763 -9.349747 23.51939 
1 1 1  -24   15   18 o   97.696   16.095   27.074   8.3899   21.304   11.451   33.761   12.328   86.465   23.771  108.928   21.706 -22.46312 32.18990 
1 1 1  -24   15   19 o  370.821   8.7549  373.477   17.532  357.207   24.350  390.991   25.264  362.435   12.433  379.207   12.329 -16.77222 17.50975 
1 1 1  -24   15   20 o  633.757   10.282  1095.08   33.072  1095.72   57.660  1094.77   40.373  632.893   16.860  634.622   11.773 -1.729736 20.56364 
1 1 1  -24   15   21 o  222.284   6.9591  134.185   8.3013  133.322   12.472  134.871   11.123  221.583   10.417  222.986   9.2310 -1.403305 13.91827 
1 1 1  -24   15   22 o  229.087   6.7420  142.870   8.2866  138.431   12.374  146.479   11.158  225.784   10.142  232.391   8.8854 -6.606415 13.48402 
1 1 1  -24   15   23 o  124.714   10.491   43.477   6.8091   38.531   10.862   46.679   8.7396  118.517   16.960  130.911   12.355 -12.39344 20.98277 
1 1 1  -24   15   24 f   72.532   16.532   2.0659   7.6339   33.266   16.247  -6.7732   8.6479  106.603   27.886   38.462   17.765 68.14132 33.06395 
1 1 1  -24   15   25 o   96.370   18.999   25.229   9.9785   34.820   16.884   20.081   12.370  108.785   28.413   83.955   25.229 24.82961 37.99757 
1 1 1  -24   15   26 o  157.773   13.278   71.706   10.483   60.203   17.799   77.815   12.972  146.927   22.418  168.618   14.237 -21.69070 26.55699 
1 1 1  -24   15   27 f  311.565   6.3059  263.418   10.573  266.082   15.717  261.216   14.289  312.932   9.2945  310.197   8.5246 2.735718 12.61176 
1 1 1  -24   15   28 o  329.254   6.2864  294.339   11.135  296.777   16.574  292.333   15.033  330.412   9.2828  328.095   8.4795 2.317413 12.57271 
1 1 1  -24   15   29 o  111.113   11.470   36.068   6.3533   28.122   9.9563   41.526   8.2517   98.997   19.305  123.230   12.392 -24.23283 22.94035 
1 1 1  -24   15   30 o   70.856   14.999   13.705   6.1535   18.056   9.6952   10.769   7.9631   78.886   21.944   62.827   20.452 16.05840 29.99743 
1 1 1  -24   15   31 o  194.804   7.2476  105.071   7.4708   94.744   11.460  112.702   9.8521  186.133   11.394  203.475   8.9604 -17.34210 14.49525 
1 1 1  -24   15   32 o   49.104   20.739   1.1769   9.4500   1.1769   9.4500   0.0000   0.0000   49.104   20.739  ?   ?       ?      ? 
1 1 1  -24   15   33 o  362.803   6.2769  359.177   12.275  347.541   17.820  369.684   16.934  357.081   9.2352  368.526   8.5034 -11.44516 12.55381 
1 1 1  -24   15   34 o   87.968   11.037   18.977   6.1317   51.124   9.5795  -3.3359   7.9808  136.257   13.011   39.679   17.831 96.57860 22.07336 
1 1 1  -24   15   35 o   57.546   14.030   8.5197   5.6249   2.5319   8.9211   12.471   7.2469   49.417   20.457   65.675   19.205 -16.25737 28.05961 
1 1 1  -24   15   36 o   47.455   13.707   2.4348   5.7623  -2.9810   9.2338   5.8891   7.3744   43.287   19.336   51.623   19.435 -8.335972 27.41498 
1 1 1  -24   15   37 o   56.655   14.789   7.7229   5.9507   6.0939   9.4775   8.7831   7.6456   55.636   21.750   57.675   20.044 -2.038464 29.57740 
1 1 1  -24   15   38 o  161.030   7.8696   71.332   6.7265   71.825   10.560   70.995   8.7259  161.215   12.122  160.845   10.040 0.3695984 15.73923 
1 1 1  -24   15   39 o  181.707   7.2635   91.154   6.9778   89.320   11.007   92.387   9.0225  179.818   11.328  183.596   9.0945 -3.777710 14.52690 
1 1 1  -24   15   40 o  138.210   8.9649   54.737   6.4242   46.345   10.148   60.350   8.2991  128.441   14.621  147.979   10.379 -19.53798 17.92984 
1 1 1  -24   15   41 o  105.502   12.193   34.489   6.3074   23.885   9.9134   41.702   8.1756   88.615   21.020  122.389   12.362 -33.77355 24.38582 
1 1 1  -24   15   42 o  117.168   10.366   39.299   6.3926   36.506   10.022   41.215   8.3004  112.943   16.421  121.392   12.654 -8.449440 20.73112 
1 1 1  -24   15   43 o  138.803   8.9788   53.470   6.6982   58.662   10.137   49.446   8.9237  144.624   12.971  132.981   12.418 11.64278 17.95761 
1 1 1  -24   15   44 o  247.933   6.4376  169.186   8.5422  171.501   13.045  167.449   11.302  249.086   9.6922  246.781   8.4755 2.304306 12.87528 
1 1 1  -24   15   45 o   79.821   14.335   19.282   6.0620   22.211   9.8457   17.494   7.6931   84.073   21.567   75.570   18.891 8.503456 28.67049 
1 1 1  -24   15   46 o  194.923   6.9637  105.184   7.2543  107.753   11.165  103.308   9.5428  196.609   10.510  193.237   9.1390 3.372086 13.92744 
1 1 1  -24   15   47 o   39.997   12.774  -2.7221   5.8778  -6.5802   9.4745  -0.3081   7.4944   39.222   18.280   40.773   17.849 -1.550861 25.54866 
1 1 1  -24   15   48 o  108.600   11.696   33.535   6.5654   45.057   10.422   25.954   8.4538  124.633   15.475   92.567   17.543 32.06612 23.39271 
1 1 1  -24   15   49 o  149.704   8.7101   63.239   6.8858   66.186   11.058   61.372   8.8004  151.787   13.481  147.620   11.032 4.166611 17.42018 
1 1 1  -24   15   50 o   67.874   15.409   14.336   6.4718   19.285   9.8199   10.535   8.6049   76.405   22.360   59.343   21.209 17.06215 30.81858 
1 1 1  -24   15   51 o   39.678   12.988  -6.8354   6.6948   1.4534   10.095 -13.3424   8.9446   47.065   20.657   32.292   15.749 14.77305 25.97602 
1 1 1  -24   15   52 o   58.256   17.640   6.6643   9.7098   8.0856   15.485   5.7432   12.465   61.010   26.182   55.503   23.646 5.506985 35.27939 
1 1 1  -24   15   53 o   45.152   22.039 -21.2703   17.617 -21.2703   17.617   0.0000   0.0000   45.152   22.039  ?   ?       ?      ? 
1 1 1  -24   15   54 o   66.337   26.617   17.356   14.545   17.356   14.545   0.0000   0.0000   66.337   26.617  ?   ?       ?      ? 
1 1 1  -24   15   55 o   82.278   18.184   27.822   9.5443   19.131   14.422   34.595   12.731   68.910   26.860   95.646   24.518 -26.73567 36.36768 
1 1 1  -24   15   56 o   57.159   14.229   8.9343   7.1456  -8.9340   11.229   21.094   9.2631   38.612   18.541   75.705   21.589 -37.09233 28.45745 
1 1 1  -24   16    1 o   73.242   14.567   14.544   6.3056   21.587   9.1407   8.1498   8.7099   87.159   19.852   59.325   21.323 27.83379 29.13381 
1 1 1  -24   16    2 o  111.182   10.941   33.629   6.5716   34.579   9.3947   32.718   9.1959  112.722   15.424  109.642   15.521 3.080429 21.88148 
1 1 1  -24   16    3 o  504.590   10.130  690.064   27.620   0.0000   0.0000  690.064   27.620  ?   ?   504.590   10.130      ?      ? 
1 1 1  -24   16    4 o  193.158   7.4554  100.959   7.7743  106.622   11.270   95.817   10.738  198.318   10.516  187.998   10.570 10.31996 14.91075 
1 1 1  -24   16    5 o  268.897   6.4497  195.915   9.3624  194.472   13.517  197.245   12.980  267.928   9.3366  269.865   8.9008 -1.936554 12.89947 
1 1 1  -24   16    6 o  293.884   6.2470  233.354   9.8946  241.323   14.623  226.624   13.438  298.482   9.0665  289.286   8.5964 9.195862 12.49399 
1 1 1  -24   16    7 o   56.434   15.032   6.0536   6.3432   9.1284   9.0661   3.1052   8.8780   61.682   21.799   51.186   20.704 10.49621 30.06430 
1 1 1  -24   16    8 o  199.118   7.3782  107.399   7.9283  109.334   11.553  105.676   10.900  200.798   10.648  197.439   10.216 3.359177 14.75638 
1 1 1  -24   16    9 o  194.447   7.6102  101.462   7.9526  113.901   12.024   91.788   10.603  204.923   10.858  183.971   10.666 20.95210 15.22043 
1 1 1  -24   16   10 o   70.571   15.286   13.754   6.5033   9.9459   9.7164   16.845   8.7530   64.069   22.575   77.073   20.615 -13.00333 30.57168 
1 1 1  -24   16   11 o  226.466   6.9472  138.669   8.4546  142.496   12.715  135.636   11.319  229.224   10.265  223.708   9.3639 5.515686 13.89450 
1 1 1  -24   16   12 o  644.859   10.365  1136.59   34.648  1147.41   43.395  1117.57   57.549  649.842   12.358  639.876   16.644 9.966187 20.73001 
1 1 1  -24   16   13 o  359.468   8.5978  351.033   16.694  337.613   23.433  364.865   23.790  352.468   12.303  366.467   12.013 -13.99902 17.19569 
1 1 1  -24   16   14 o  147.133   15.826   59.077   12.582   0.0000   0.0000   59.077   12.582  ?   ?   147.133   15.826      ?      ? 
1 1 1  -24   16   15 o  192.484   13.654  100.878   14.202   0.0000   0.0000  100.878   14.202  ?   ?   192.484   13.654      ?      ? 
1 1 1  -24   16   16 o  156.068   16.462   66.577   13.883   66.577   13.883   0.0000   0.0000  156.068   16.462  ?   ?       ?      ? 
1 1 1  -24   16   17 o  327.915   8.9663  292.987   15.864  301.802   22.068  283.559   22.822  333.102   12.260  322.728   13.087 10.37460 17.93257 
1 1 1  -24   16   18 o  228.240   7.0771  142.372   8.6546  132.326   12.821  150.782   11.730  220.711   10.750  235.770   9.2073 -15.05817 14.15420 
1 1 1  -24   16   19 o  353.520   6.4366  338.951   12.245  340.031   18.175  338.053   16.569  353.971   9.5023  353.069   8.6847 0.9025269 12.87318 
1 1 1  -24   16   20 o  318.270   6.4005  275.245   10.977  269.348   16.042  280.436   15.052  315.003   9.4243  321.538   8.6631 -6.534302 12.80109 
1 1 1  -24   16   21 o  358.021   6.3889  346.982   12.284  356.280   18.528  339.690   16.409  362.207   9.4666  353.834   8.5822 8.373260 12.77771 
1 1 1  -24   16   22 o  114.983   11.301   36.955   6.8632   32.340   10.463   40.441   9.0927  108.340   17.872  121.625   13.835 -13.28527 22.60153 
1 1 1  -24   16   23 o  297.509   8.5058  239.343   12.094  245.721   23.536  237.055   14.098  299.548   14.540  295.469   8.8300 4.079224 17.01156 
1 1 1  -24   16   24 o  127.088   16.696   45.185   10.613   48.468   18.442   43.559   12.977  128.671   27.366  125.505   19.135 3.166512 33.39174 
1 1 1  -24   16   25 o  305.671   9.5368  258.022   15.586  231.531   22.968  280.631   21.219  290.664   14.624  320.679   12.245 -30.01535 19.07353 
1 1 1  -24   16   26 o  114.482   11.025   36.468   6.7142   33.035   10.130   39.158   8.9667  109.412   17.134  119.552   13.880 -10.13975 22.05028 
1 1 1  -24   16   27 o  283.754   6.4137  219.572   9.7578  213.887   14.639  224.118   13.090  280.315   9.6643  287.194   8.4348 -6.879913 12.82744 
1 1 1  -24   16   28 o  219.888   6.8521  131.048   8.0724  136.657   12.350  126.864   10.666  223.877   10.209  215.900   9.1426 7.977005 13.70428 
1 1 1  -24   16   29 o   55.882   14.714   5.7311   6.0742   11.452   9.4295   1.6735   7.9412   65.566   22.279   46.198   19.227 19.36857 29.42879 
1 1 1  -24   16   30 o  266.923   6.4122  194.031   9.1507  194.120   13.994  193.964   12.095  266.822   9.7056  267.024   8.3824 -0.2019348 12.82437 
1 1 1  -24   16   31 f   57.513   14.848   6.1238   6.0668   13.257   9.9414   1.8909   7.6582   69.287   22.866   45.740   18.946 23.54620 29.69558 
1 1 1  -24   16   32 o   59.044   14.998   8.3920   5.9941   10.208   9.5174   7.1984   7.7167   63.106   22.331   54.982   20.026 8.123962 29.99572 
1 1 1  -24   16   33 o  174.458   7.7802   85.820   7.1038   71.198   10.890   96.649   9.3724  160.772   12.536  188.144   9.2187 -27.37216 15.56042 
1 1 1  -24   16   34 o   55.924   14.784   6.4997   5.9668   10.398   9.4916   3.9526   7.6724   63.058   22.302   48.791   19.414 14.26637 29.56874 
1 1 1  -24   16   35 o  154.701   8.1802   64.697   6.7500   73.241   10.631   58.926   8.7371  162.976   12.072  146.425   11.042 16.55119 16.36038 
1 1 1  -24   16   36 o   52.992   14.560   5.5354   5.9067   6.5172   9.1756   4.8406   7.7186   55.726   21.507   50.259   19.633 5.466755 29.12057 
1 1 1  -24   16   37 o   67.053   14.542   11.345   6.1595   21.187   9.6340   4.5404   8.0106   83.921   21.229   50.185   19.879 33.73669 29.08324 
1 1 1  -24   16   38 o  227.988   6.5268  142.981   7.9292  140.344   12.210  144.904   10.427  225.861   10.004  230.115   8.3856 -4.253983 13.05363 
1 1 1  -24   16   39 o  158.277   8.1815   70.607   6.8290   62.756   10.510   76.343   8.9839  150.027   12.964  166.526   9.9838 -16.49825 16.36299 
1 1 1  -24   16   40 o  120.661   10.185   41.888   6.4159   37.125   10.113   45.096   8.3001  114.053   16.409  127.270   12.069 -13.21690 20.36939 
1 1 1  -24   16   41 o  165.060   7.8005   74.879   6.8782   80.309   10.699   71.053   8.9798  169.858   11.656  160.261   10.369 9.596878 15.60110 
1 1 1  -24   16   42 o   48.448   13.912  -0.0442   6.0343   10.474   9.7626  -6.5467   7.6762   62.020   22.535   34.876   16.320 27.14382 27.82371 
1 1 1  -24   16   43 o  247.280   6.5409  169.454   8.6478  163.715   13.086  173.902   11.522  243.132   9.9605  251.429   8.4807 -8.296570 13.08188 
1 1 1  -24   16   44 o   54.796   14.672   6.9784   5.8707   10.309   9.4232   4.8655   7.5052   60.817   22.133   48.774   19.266 12.04358 29.34404 
1 1 1  -24   16   45 o  134.671   9.5193   52.311   6.7105   48.287   10.644   54.965   8.6452  129.364   15.226  139.978   11.430 -10.61375 19.03869 
1 1 1  -24   16   46 o  179.530   9.5483   89.444   9.2630   0.0000   0.0000   89.444   9.2630  ?   ?   179.530   9.5483      ?      ? 
1 1 1  -24   16   47 o  124.587   10.565   45.000   6.9981   44.167   10.823   45.599   9.1738  122.808   16.309  126.365   13.435 -3.556725 21.13030 
1 1 1  -24   16   48 o  139.622   9.6152   57.086   7.0692   50.121   10.827   62.261   9.3331  130.930   15.303  148.315   11.645 -17.38562 19.23037 
1 1 1  -24   16   49 o  185.045   8.2470   99.279   8.0348   83.922   12.140  111.249   10.718  170.820   13.152  199.270   9.9538 -28.44969 16.49407 
1 1 1  -24   16   50 o  150.772   9.2147   67.400   7.2685   59.264   11.318   73.111   9.4824  141.300   14.823  160.243   10.951 -18.94275 18.42946 
1 1 1  -24   16   51 o   57.589   16.630   4.1659   9.9402 -21.3041   17.000   17.399   12.253   44.142   21.569   71.036   25.317 -26.89360 33.25905 
1 1 1  -24   16   53 o   52.969   24.132   3.4212   15.230   3.4212   15.230   0.0000   0.0000   52.969   24.132  ?   ?       ?      ? 
1 1 1  -24   16   54 o   77.192   19.033   24.240   10.013   32.005   14.611   17.365   13.749   87.477   27.629   66.907   26.185 20.56926 38.06585 
1 1 1  -24   16   55 o   70.959   16.106   19.735   7.1741   15.907   11.668   22.061   9.0967   63.926   24.356   77.992   21.082 -14.06667 32.21268 
1 1 1  -24   17    1 o  168.018   11.192   76.651   10.161   0.0000   0.0000   76.651   10.161  ?   ?   168.018   11.192      ?      ? 
1 1 1  -24   17    2 o  325.642   8.9203  287.408   15.697   0.0000   0.0000  287.408   15.697  ?   ?   325.642   8.9203      ?      ? 
1 1 1  -24   17    3 o   68.646   15.467   12.636   6.5532   15.522   9.1985   9.6613   9.3384   74.351   21.607   62.941   22.137 11.40942 30.93396 
1 1 1  -24   17    5 o  113.850   11.233   35.372   6.9094   35.322   9.8524   35.420   9.6923  113.761   16.027  113.939   15.742 -0.1783066 22.46547 
1 1 1  -24   17    6 o  324.371   6.5337  285.750   11.430  268.187   16.278  302.835   16.054  314.480   9.5789  334.262   8.8883 -19.78253 13.06740 
1 1 1  -24   17    7 o  116.412   10.950   36.857   6.8740   38.730   10.122   35.253   9.3645  119.131   15.724  113.692   15.243 5.438667 21.89941 
1 1 1  -24   17    8 o  233.805   12.223  148.604   15.443   0.0000   0.0000  148.604   15.443  ?   ?   233.805   12.223      ?      ? 
1 1 1  -24   17    9 o  426.249   9.0550  494.198   20.848  496.171   29.945  492.342   29.042  427.035   12.977  425.462   12.632 1.572937 18.10994 
1 1 1  -24   17   10 o  153.577   10.760   64.213   8.9172   67.005   13.033   61.757   12.227  156.690   15.393  150.463   15.039 6.226822 21.51978 
1 1 1  -24   17   11 o  557.847   10.771  848.820   32.449  862.162   46.820  836.487   45.014  561.995   15.417  553.698   15.045 8.296204 21.54151 
1 1 1  -24   17   12 f   93.926   16.295   25.031   8.3825   33.851   12.233   17.225   11.509  109.004   21.533   78.849   24.462 30.15540 32.58928 
1 1 1  -24   17   13 o  270.260   8.5786  198.729   12.484  177.432   17.441  221.104   17.877  255.330   12.641  285.189   11.601 -29.85901 17.15722 
1 1 1  -24   17   14 o  155.552   10.132   63.665   8.1071   73.604   14.187   58.845   9.8792  164.061   16.002  147.042   12.433 17.01851 20.26491 
1 1 1  -24   17   15 o  405.581   8.8430  448.221   17.215  447.072   33.045  448.649   20.169  404.508   15.118  406.654   9.1783 -2.145233 17.68607 
1 1 1  -24   17   16 o  101.927   17.929   26.838   8.3863   36.239   18.582   24.434   9.3978  111.320   30.148   92.534   19.414 18.78517 35.85780 
1 1 1  -24   17   17 o  273.992   8.1013  204.374   11.557  204.586   14.525  204.009   19.079  274.450   9.7938  273.533   12.908 0.9169006 16.20266 
1 1 1  -24   17   18 o   58.771   15.495   6.7340   6.9206   0.9831   10.169   11.696   9.4456   50.963   21.518   66.579   22.300 -15.61628 30.98917 
1 1 1  -24   17   19 o  186.764   7.5893   95.110   7.6331   92.337   11.170   97.540   10.455  184.142   11.226  189.386   10.216 -5.244141 15.17865 
1 1 1  -24   17   20 o  251.167   8.9618  171.323   12.163   0.0000   0.0000  171.323   12.163  ?   ?   251.167   8.9618      ?      ? 
1 1 1  -24   17   21 o  200.288   9.7328  109.044   10.534   0.0000   0.0000  109.044   10.534  ?   ?   200.288   9.7328      ?      ? 
1 1 1  -24   17   22 o   66.483   18.330   7.1344   10.150  -7.1892   17.240   14.732   12.556   58.052   26.137   74.914   25.706 -16.86162 36.66003 
1 1 1  -24   17   23 o  108.455   18.248   36.090   10.489   25.383   18.145   41.464   12.854   94.649   30.876  122.260   19.457 -27.61153 36.49532 
1 1 1  -24   17   24 o  212.975   8.6798  123.847   9.8458  123.269   12.870  124.662   15.289  212.579   11.204  213.371   13.260 -0.7913208 17.35952 
1 1 1  -24   17   25 o  316.318   6.4072  270.478   10.830  283.370   16.767  261.250   14.185  322.608   9.6184  310.029   8.4672 12.57913 12.81431 
1 1 1  -24   17   26 o   55.347   14.947   6.2068   6.2607   3.8924   9.5527   7.9494   8.2892   53.150   21.484   57.544   20.787 -4.393627 29.89424 
1 1 1  -24   17   27 o   62.338   15.091   9.9565   6.4061   4.5613   9.6829   14.156   8.5430   54.335   21.747   70.340   20.928 -16.00595 30.18125 
1 1 1  -24   17   28 o   55.120   14.859   6.1579   6.2369   3.0215   9.4844   8.5476   8.2787   51.667   21.210   58.573   20.817 -6.906399 29.71861 
1 1 1  -24   17   29 o  282.544   6.5369  216.833   9.8977  223.328   15.090  211.928   13.112  286.104   9.7606  278.984   8.6979 7.119324 13.07376 
1 1 1  -24   17   30 o  216.537   6.8594  128.294   7.9441  125.908   12.067  130.120   10.554  214.587   10.407  218.487   8.9390 -3.899628 13.71883 
1 1 1  -24   17   31 f  179.650   7.7077   89.173   7.4043   82.636   11.046   94.507   9.9775  173.404   11.789  185.896   9.9326 -12.49287 15.41538 
1 1 1  -24   17   32 o  259.857   6.5075  183.545   8.9939  189.890   14.122  179.216   11.666  263.378   9.9226  256.335   8.4220 7.043304 13.01497 
1 1 1  -24   17   33 o  127.370   9.6939   44.406   6.5813   48.441   10.351   41.667   8.5270  131.966   14.515  122.773   12.853 9.193283 19.38771 
1 1 1  -24   17   34 o   97.140   12.355   26.386   6.2891   32.262   9.7829   22.247   8.2106  107.038   16.914   87.240   18.014 19.79808 24.70958 
1 1 1  -24   17   35 o   56.217   14.965   6.9835   6.1517   9.4977   9.4455   5.1315   8.1067   61.027   22.167   51.408   20.110 9.618832 29.93000 
1 1 1  -24   17   36 o   68.237   13.680   10.763   5.9158   25.029   9.5945   2.0127   7.5141   91.512   19.964   44.962   18.707 46.54931 27.35905 
1 1 1  -24   17   37 o  161.758   8.1926   70.394   7.0050   82.461   11.435   63.146   8.8627  172.292   12.282  151.225   10.846 21.06606 16.38527 
1 1 1  -24   17   38 o  111.705   10.697   35.091   6.4390   37.422   9.5500   33.147   8.7189  115.014   15.366  108.396   14.885 6.618309 21.39384 
1 1 1  -24   17   39 o  133.045   9.4762   49.916   6.7030   48.406   10.349   51.007   8.7978  130.818   14.640  135.272   12.036 -4.454834 18.95242 
1 1 1  -24   17   40 o  162.301   8.0567   73.231   6.9762   73.344   10.747   73.148   9.1708  162.040   12.274  162.561   10.440 -0.5214691 16.11348 
1 1 1  -24   17   41 o   78.388   14.058   19.760   6.1215   12.888   9.7097   24.294   7.8862   66.134   22.607   90.642   16.717 -24.50805 28.11652 
1 1 1  -24   17   42 o   64.377   15.282   12.275   6.1829   12.528   9.8738   12.112   7.9301   65.248   22.773   63.505   20.386 1.742752 30.56451 
1 1 1  -24   17   43 o  142.916   8.8556   57.033   6.6183   59.892   10.916   55.371   8.3223  145.007   13.931  140.824   10.937 4.183456 17.71126 
1 1 1  -24   17   44 f  108.508   12.766   37.843   6.7267   26.342   10.798   45.137   8.5989   90.718   22.207  126.299   12.600 -35.58133 25.53256 
1 1 1  -24   17   45 o  108.200   12.059   32.609   6.6867   46.219   11.091   24.836   8.3814  125.906   16.301   90.494   17.774 35.41233 24.11760 
1 1 1  -24   17   46 o   63.878   15.569   12.599   6.4901   11.041   10.440   13.581   8.2855   61.976   23.165   65.780   20.809 -3.803410 31.13897 
1 1 1  -24   17   47 o   53.868   15.090   5.1094   6.7272   12.630   10.427  -0.2521   8.8045   64.232   23.297   43.504   19.186 20.72824 30.18029 
1 1 1  -24   17   48 o  158.255   8.7260   71.909   7.3108   70.650   11.464   72.772   9.4914  156.134   13.587  160.376   10.952 -4.241806 17.45192 
1 1 1  -24   17   49 o  126.511   10.532   47.041   7.0699   50.309   11.229   44.895   9.1001  129.155   16.089  123.867   13.596 5.288353 21.06431 
1 1 1  -24   17   50 o   79.586   15.914   21.649   10.218 -13.6892   17.299   40.586   12.663   48.181   23.103  110.992   21.892 -62.81115 31.82726 
1 1 1  -24   17   52 o   38.992   19.189 -18.0315   14.224 -18.0315   14.224   0.0000   0.0000   38.992   19.189  ?   ?       ?      ? 
1 1 1  -24   17   53 o  131.072   15.295   58.845   10.434   61.126   16.140   57.207   13.675  130.029   23.850  132.115   19.156 -2.086243 30.59027 
1 1 1  -24   17   54 o   68.779   15.450   18.685   7.4467   7.0692   11.989   25.981   9.5017   52.590   22.805   84.969   20.850 -32.37825 30.89997 
1 1 1  -24   18    1 o  182.541   7.5850   90.229   7.4466   78.629   10.241  103.240   10.847  170.094   11.142  194.988   10.294 -24.89426 15.17004 
1 1 1  -24   18    2 o  380.747   12.066  394.369   24.824   0.0000   0.0000  394.369   24.824  ?   ?   380.747   12.066      ?      ? 
1 1 1  -24   18    3 o   93.726   14.573   25.817   7.2188   30.325   9.3333   19.104   11.389  105.278   16.406   82.175   24.089 23.10300 29.14528 
1 1 1  -24   18    4 o  367.983   8.4862  368.313   16.874  372.072   24.003  364.640   23.726  369.838   12.011  366.129   11.992 3.708710 16.97246 
1 1 1  -24   18    5 o  158.092   10.512   68.581   8.9281   72.590   12.231   64.009   13.063  163.168   13.872  153.015   15.798 10.15302 21.02405 
1 1 1  -24   18    6 o  256.229   8.3490  178.059   11.542  169.212   15.803  188.176   16.898  249.438   11.724  263.020   11.890 -13.58202 16.69799 
1 1 1  -24   18    7 o   90.848   15.686   23.720   7.6328   24.099   10.746   23.333   10.844   91.592   21.990   90.104   22.374 1.487358 31.37107 
1 1 1  -24   18    8 o   95.789   15.829   26.048   8.1291   19.291   11.061   33.986   11.988   82.358   23.624  109.220   21.075 -26.86183 31.65893 
1 1 1  -24   18    9 o  378.644   8.6457  390.242   17.688  382.658   24.896  397.973   25.135  374.915   12.289  382.373   12.165 -7.458099 17.29146 
1 1 1  -24   18   10 o   90.011   14.513   24.784   7.3290   10.815   11.406   34.606   9.5648   67.568   24.388  112.455   15.740 -44.88696 29.02603 
1 1 1  -24   18   11 f  184.314   8.3454   93.111   8.2444   86.052   12.164   99.110   11.213  177.704   12.667  190.924   10.869 -13.22093 16.69078 
1 1 1  -24   18   12 o  349.693   6.6189  332.420   12.455  327.224   18.393  336.822   16.928  347.082   9.8069  352.303   8.8918 -5.220520 13.23778 
1 1 1  -24   18   13 o  348.860   6.5961  330.963   12.384  324.953   18.262  336.080   16.851  345.837   9.7721  351.882   8.8622 -6.045044 13.19214 
1 1 1  -24   18   14 o  319.178   6.5936  275.812   11.319  285.668   16.964  267.901   15.197  324.235   9.6822  314.120   8.9531 10.11505 13.18724 
1 1 1  -24   18   15 o   44.251   13.989  -3.7129   6.8236  -5.7819   10.447  -2.1732   9.0116   44.273   20.099   44.229   19.462 0.4389954E-01 27.97745 
1 1 1  -24   18   16 o  133.146   16.249   53.234   8.7571   45.766   19.842   55.041   9.7590  124.298   29.905  141.995   12.719 -17.69633 32.49729 
1 1 1  -24   18   17 o  167.686   9.2005   78.169   8.1231   69.742   12.597   84.166   10.628  159.577   14.609  175.795   11.188 -16.21783 18.40093 
1 1 1  -24   18   18 o  136.780   12.423   52.434   8.7691   54.796   11.042   48.401   14.429  141.457   14.446  132.103   20.214 9.353958 24.84505 
1 1 1  -24   18   19 o  259.431   6.9110  182.836   9.6400  184.796   14.403  181.246   12.975  260.610   10.227  258.251   9.2976 2.358429 13.82194 
1 1 1  -24   18   20 o  336.185   9.0286  313.728   14.245  299.099   27.957  318.856   16.555  329.819   15.687  342.551   8.9434 -12.73209 18.05714 
1 1 1  -24   18   21 o   64.895   18.756   5.5822   10.338  -2.8288   18.184   9.5991   12.566   62.958   27.676   66.833   25.321 -3.875793 37.51124 
1 1 1  -24   18   22 o  169.999   15.804   92.190   12.215   56.734   20.468  111.802   15.223  138.206   28.358  201.793   13.960 -63.58743 31.60801 
1 1 1  -24   18   23 o  153.623   9.2548   66.009   7.5241   55.594   11.216   74.532   10.146  142.102   14.606  165.143   11.369 -23.04106 18.50960 
1 1 1  -24   18   24 o  100.697   13.447   31.035   6.9210   17.487   10.338   42.040   9.3170   77.774   22.994  123.620   13.948 -45.84604 26.89347 
1 1 1  -24   18   25 o  179.566   8.1749   89.825   7.7396   79.699   11.929   97.188   10.171  170.375   12.957  188.756   9.9720 -18.38139 16.34983 
1 1 1  -24   18   26 o  167.990   8.1637   77.500   7.3405   75.475   11.090   79.079   9.7925  165.867   12.373  170.114   10.653 -4.246582 16.32741 
1 1 1  -24   18   27 o  185.859   7.6882   95.740   7.5748   87.013   11.583  102.261   10.013  178.103   12.035  193.615   9.5704 -15.51225 15.37648 
1 1 1  -24   18   28 o  184.270   7.7635   91.277   7.6340  103.948   12.006   82.678   9.8909  194.705   11.411  173.835   10.530 20.87016 15.52707 
1 1 1  -24   18   29 f  167.487   8.0113   74.850   7.1402   95.494   11.154   60.517   9.2940  186.564   11.064  148.409   11.589 38.15585 16.02267 
1 1 1  -24   18   30 o  207.611   7.1323  117.335   7.9475  124.023   12.083  112.235   10.551  212.672   10.514  202.549   9.6398 10.12254 14.26455 
1 1 1  -24   18   31 o   48.418   14.001   2.1757   6.1068  -3.6990   9.3327   6.5744   8.0757   42.756   19.242   54.080   20.342 -11.32389 28.00118 
1 1 1  -24   18   32 o   83.005   14.667   21.247   6.5590   16.270   10.586   24.349   8.3562   74.488   23.516   91.522   17.535 -17.03417 29.33409 
1 1 1  -24   18   33 o  215.076   6.8758  123.545   7.8353  143.666   12.682  111.124   9.9644  228.686   10.263  201.465   9.1530 27.22121 13.75159 
1 1 1  -24   18   34 o  189.405   7.5845   98.495   7.5980  100.811   12.104   96.989   9.7607  190.864   11.736  187.945   9.6109 2.918854 15.16900 
1 1 1  -24   18   35 o   69.540   15.058   13.950   6.1789   17.684   9.5017   11.214   8.1336   76.415   21.890   62.665   20.683 13.74980 30.11561 
1 1 1  -24   18   36 o  128.954   9.8857   46.097   6.8368   51.125   10.483   42.376   9.0188  134.863   14.385  123.046   13.564 11.81660 19.77134 
1 1 1  -24   18   37 o   43.977   13.611  -1.3384   6.0289   2.5587   9.7405  -3.7585   7.6759   50.230   21.127   37.723   17.165 12.50702 27.22104 
1 1 1  -24   18   38 o  152.460   8.7757   65.777   7.0895   59.927   10.842   70.148   9.3704  145.884   13.754  159.036   10.904 -13.15198 17.55136 
1 1 1  -24   18   39 o   41.788   13.256  -2.7666   6.2572  -5.7125   9.3804  -0.4050   8.3989   40.216   18.550   43.360   18.941 -3.143692 26.51131 
1 1 1  -24   18   40 o   34.975   11.793  -9.7353   6.1409 -12.8534   9.6328  -7.6005   7.9704   35.269   16.996   34.681   16.354 0.5873756 23.58600 
1 1 1  -24   18   41 o  122.694   10.289   41.522   6.6987   53.917   10.610   33.306   8.6380  137.521   14.278  107.867   14.820 29.65385 20.57837 
1 1 1  -24   18   42 o   89.896   13.787   25.324   6.4642   21.711   10.431   27.576   8.2366   82.166   22.727   97.627   15.613 -15.46037 27.57351 
1 1 1  -24   18   43 o   97.280   12.469   26.963   6.2907   35.818   10.272   21.649   7.9576  110.350   17.226   84.210   18.031 26.14022 24.93726 
1 1 1  -24   18   44 o   57.664   14.393   8.6510   6.4024  -1.8038   10.220   15.404   8.2138   45.270   20.273   70.057   20.435 -24.78702 28.78518 
1 1 1  -24   18   45 o  137.796   9.6888   52.225   7.0023   65.031   11.761   45.191   8.7155  149.781   14.531  125.811   12.820 23.96992 19.37758 
1 1 1  -24   18   46 o  125.576   10.615   45.269   7.1145   50.921   11.167   41.407   9.2303  131.626   15.700  119.525   14.291 12.10128 21.23035 
1 1 1  -24   18   47 o  145.809   9.2328   60.752   7.1850   67.131   11.256   56.365   9.3339  151.651   13.736  139.967   12.341 11.68460 18.46554 
1 1 1  -24   18   48 o   93.557   14.179   30.301   7.0442   19.164   11.046   37.935   9.1451   74.017   24.088  113.097   14.964 -39.08047 28.35748 
1 1 1  -24   18   49 o  123.238   28.621   55.878   18.694   55.878   18.694   0.0000   0.0000  123.238   28.621  ?   ?       ?      ? 
1 1 1  -24   18   51 o   76.068   19.845   26.635   10.808   23.604   15.047   29.865   15.534   72.134   27.617   80.001   28.506 -7.866737 39.68998 
1 1 1  -24   18   52 o   53.473   16.182   1.5662   7.8377   18.894   14.653  -5.3782   9.2762   69.040   27.029   37.906   17.802 31.13395 32.36486 
1 1 1  -24   18   53 f   62.179   16.034   13.080   7.5219   24.047   11.410   4.6502   10.003   76.624   24.438   47.734   20.765 28.89058 32.06884 
1 1 1  -24   19    1 f   46.738   14.561  -2.5254   7.1556  -2.1349   10.235  -2.8986   10.008   47.437   20.811   46.038   20.371 1.398697 29.12166 
1 1 1  -24   19    2 o  176.372   9.2771   85.425   8.7252  102.568   12.462   68.941   12.220  193.995   11.888  158.748   14.245 35.24675 18.55425 
1 1 1  -24   19    3 o  288.411   8.1382  226.482   12.679  229.955   18.220  223.221   17.655  290.534   11.605  286.288   11.412 4.246948 16.27638 
1 1 1  -24   19    4 o  191.486   8.2489   99.163   8.4635  105.383   12.984   94.568   11.160  196.590   12.223  186.382   11.081 10.20876 16.49790 
1 1 1  -24   19    5 o  164.321   8.7046   73.376   7.7041   82.209   11.235   65.537   10.584  173.663   11.973  154.979   12.639 18.68442 17.40928 
1 1 1  -24   19    6 o  303.708   9.1196  250.508   14.967   0.0000   0.0000  250.508   14.967  ?   ?   303.708   9.1196      ?      ? 
1 1 1  -24   19    7 f  216.982   9.9461  127.999   11.662   0.0000   0.0000  127.999   11.662  ?   ?   216.982   9.9461      ?      ? 
1 1 1  -24   19    8 o  214.519   7.2163  125.349   8.3517  120.276   11.987  130.135   11.643  210.246   10.551  218.792   9.8476 -8.545975 14.43265 
1 1 1  -24   19    9 o   61.296   14.450   6.2251   6.7434   18.814   9.7417  -5.3571   9.3440   80.848   21.801   41.743   18.973 39.10500 28.90053 
1 1 1  -24   19   10 o   72.287   15.830   14.456   6.8205   16.464   10.031   12.730   9.3013   76.209   22.679   68.365   22.092 7.844711 31.66051 
1 1 1  -24   19   11 o   50.013   14.687   0.7923   6.7519   5.8676   9.6807  -4.0150   9.4217   56.719   22.035   43.307   19.424 13.41257 29.37391 
1 1 1  -24   19   12 o  163.241   8.8098   72.418   7.7463   76.306   11.524   69.212   10.463  167.184   12.756  159.299   12.154 7.884888 17.61962 
1 1 1  -24   19   13 o   83.232   14.671   20.398   6.7273   14.007   9.9531   25.774   9.1281   71.370   22.831   95.095   18.429 -23.72482 29.34123 
1 1 1  -24   19   14 o  102.565   13.578   31.046   7.1298   22.555   10.860   37.478   9.4523   88.221   22.661  116.908   14.962 -28.68720 27.15505 
1 1 1  -24   19   15 o  396.445   9.2459  427.156   19.807   0.0000   0.0000  427.156   19.807  ?   ?   396.445   9.2459      ?      ? 
1 1 1  -24   19   16 o   57.697   15.476   6.5374   6.8627   1.3425   10.614   10.269   8.9959   52.251   22.019   63.144   21.754 -10.89291 30.95264 
1 1 1  -24   19   17 o  229.346   10.816  153.169   10.786  130.090   22.801  159.823   12.243  216.289   19.509  242.403   9.3466 -26.11449 21.63223 
1 1 1  -24   19   18 o  356.261   9.2240  362.482   15.777  314.189   29.094  382.600   18.778  337.525   15.952  374.997   9.2669 -37.47202 18.44804 
1 1 1  -24   19   19 o  113.849   19.474   42.034   12.103   22.680   21.354   51.194   14.690   92.390   33.365  135.308   20.092 -42.91824 38.94761 
1 1 1  -24   19   20 o  233.322   11.692  152.575   14.118  143.941   23.225  157.635   17.781  227.147   18.921  239.498   13.740 -12.35081 23.38374 
1 1 1  -24   19   21 o  137.898   12.212   51.918   8.8996   48.729   11.313   57.095   14.414  132.751   15.771  143.044   18.648 -10.29286 24.42323 
1 1 1  -24   19   22 o  119.888   11.309   40.040   7.1696   38.520   11.239   41.084   9.3099  117.635   17.681  122.141   14.106 -4.506081 22.61816 
1 1 1  -24   19   23 o  249.253   6.8360  170.231   9.1531  160.247   13.445  178.856   12.496  242.260   10.270  256.246   9.0245 -13.98560 13.67200 
1 1 1  -24   19   24 o   66.104   15.671   11.826   6.6771   9.1543   9.7397   14.195   9.1717   61.636   22.491   70.571   21.828 -8.935081 31.34203 
1 1 1  -24   19   25 o  240.816   6.9315  158.999   8.9528  152.530   13.343  164.296   12.074  236.168   10.456  245.465   9.1027 -9.297424 13.86292 
1 1 1  -24   19   26 o   47.374   14.081  -0.5163   6.3244   6.1905   9.6139  -5.6330   8.3972   56.326   21.937   38.423   17.660 17.90306 28.16204 
1 1 1  -24   19   27 o   53.172   15.024   3.7143   6.4636   8.4961   10.406   0.7105   8.2475   61.074   23.065   45.270   19.259 15.80353 30.04877 
1 1 1  -24   19   28 o  155.755   11.350   66.704   9.5528   0.0000   0.0000   66.704   9.5528  ?   ?   155.755   11.350      ?      ? 
1 1 1  -24   19   29 o  132.322   9.5976   48.545   6.7831   48.586   10.405   48.516   8.9451  132.109   14.576  132.534   12.490 -0.4243011 19.19522 
1 1 1  -24   19   30 o  242.187   6.8542  160.681   8.8902  160.902   13.502  160.512   11.812  242.109   10.320  242.265   9.0231 -0.1554565 13.70842 
1 1 1  -24   19   31 o  210.707   7.2219  121.418   8.1031  125.259   12.661  118.753   10.546  213.240   10.988  208.173   9.3751 5.067459 14.44376 
1 1 1  -24   19   32 o  159.727   8.8008   70.984   7.4522   69.990   11.674   71.668   9.6815  158.350   13.643  161.105   11.121 -2.755310 17.60151 
1 1 1  -24   19   33 o   41.365   13.154  -3.1370   6.1551  -6.3869   9.6771  -0.9290   7.9765   40.718   18.802   42.011   18.402 -1.293892 26.30896 
1 1 1  -24   19   34 o   53.732   15.070   5.5881   6.5023   4.1080   10.028   6.6621   8.5415   53.076   21.801   54.387   20.811 -1.311390 30.13919 
1 1 1  -24   19   35 o  180.718   7.7919   89.240   7.4879   97.633   11.883   83.711   9.6435  187.358   11.737  174.077   10.252 13.28093 15.58386 
1 1 1  -24   19   36 o   75.113   15.135   17.543   6.5111   14.309   9.9240   19.987   8.6276   69.190   22.847   81.036   19.858 -11.84567 30.27080 
1 1 1  -24   19   37 o  161.688   8.5337   72.300   7.3279   76.755   11.614   69.354   9.4453  165.368   12.997  158.009   11.062 7.359268 17.06744 
1 1 1  -24   19   38 o   45.018   13.706  -1.9532   6.2697   6.2442   9.6796  -7.8782   8.2294   54.840   21.811   35.196   16.603 19.64421 27.41121 
1 1 1  -24   19   39 o  105.590   11.900   31.813   6.7072   36.180   10.530   28.831   8.7003  111.271   17.513   99.909   16.115 11.36240 23.79964 
1 1 1  -24   19   40 o  105.241   12.078   31.619   6.7453   36.644   10.847   28.450   8.6135  111.441   18.012   99.040   16.095 12.40077 24.15522 
1 1 1  -24   19   41 o   71.015   13.654   11.266   6.5087   31.225   10.513  -1.1381   8.2879  100.323   20.094   41.707   18.493 58.61632 27.30807 
1 1 1  -24   19   42 o  153.520   9.0024   65.194   7.2552   73.371   12.014   60.501   9.1024  160.255   13.874  146.786   11.476 13.46896 18.00481 
1 1 1  -24   19   43 o   63.845   15.644   10.674   6.6093   19.511   10.986   5.6611   8.2743   76.859   23.909   50.830   20.182 26.02899 31.28773 
1 1 1  -24   19   44 o  158.951   9.1131   73.060   7.6432   67.756   11.883   76.802   9.9823  152.898   14.382  165.004   11.196 -12.10625 18.22615 
1 1 1  -24   19   45 o  128.064   12.244   52.780   7.5391   36.887   11.857   63.566   9.7681  106.846   21.283  149.282   12.109 -42.43589 24.48708 
1 1 1  -24   19   46 o   87.088   14.498   26.999   7.2082   14.395   11.390   35.419   9.3095   65.658   24.264  108.518   15.876 -42.86072 28.99633 
1 1 1  -24   19   47 o   58.081   23.128   9.1455   10.896   9.1455   10.896   0.0000   0.0000   58.081   23.128  ?   ?       ?      ? 
1 1 1  -24   19   50 o   50.948   16.337   1.7074   9.8765   9.5135   14.396  -5.2342   13.575   57.143   24.884   44.752   21.176 12.39099 32.67470 
1 1 1  -24   19   51 o   53.478   22.776   7.0696   11.558   7.0696   11.558   0.0000   0.0000   53.478   22.776  ?   ?       ?      ? 
1 1 1  -24   19   52 o   60.171   15.325   13.286   7.2716   2.9328   11.182   20.872   9.5717   46.963   21.106   73.378   22.225 -26.41468 30.64991 
1 1 1  -24   20    1 o  111.776   11.461   34.289   6.9070   35.382   10.174   33.354   9.4070  113.376   16.607  110.175   15.801 3.200623 22.92266 
1 1 1  -24   20    3 o  132.464   10.177   47.990   7.2734   49.540   10.639   46.629   9.9658  134.437   14.646  130.492   14.133 3.945053 20.35302 
1 1 1  -24   20    4 o  108.819   12.356   34.023   6.8877   26.391   10.104   40.649   9.4140   95.823   20.152  121.815   14.302 -25.99190 24.71141 
1 1 1  -24   20    5 o  110.219   12.013   34.704   6.7322   45.077   9.5298   24.370   9.5118  128.342   13.741   92.096   19.709 36.24623 24.02612 
1 1 1  -24   20    6 o  331.681   9.2325  298.979   16.547   0.0000   0.0000  298.979   16.547  ?   ?   331.681   9.2325      ?      ? 
1 1 1  -24   20    7 o  291.016   9.1351  230.152   14.365   0.0000   0.0000  230.152   14.365  ?   ?   291.016   9.1351      ?      ? 
1 1 1  -24   20    8 o   58.223   15.290   6.7887   6.7132   1.4030   9.7665   11.612   9.2429   50.425   21.179   66.021   22.060 -15.59525 30.58062 
1 1 1  -24   20    9 o  219.641   7.3325  131.152   8.6831  134.369   12.777  128.391   11.837  222.094   10.646  217.188   10.086 4.905685 14.66502 
1 1 1  -24   20   10 o  257.935   9.4731  180.958   13.203   0.0000   0.0000  180.958   13.203  ?   ?   257.935   9.4731      ?      ? 
1 1 1  -24   20   11 o  186.688   8.1021   95.138   8.1715   93.842   11.629   96.402   11.485  185.408   11.607  187.969   11.307 -2.560486 16.20421 
1 1 1  -24   20   12 o   81.982   14.830   19.567   6.7460   13.916   9.6127   25.052   9.4694   70.687   22.419   93.277   19.418 -22.59078 29.65955 
1 1 1  -24   20   13 o  165.881   8.9565   75.136   8.0149   81.402   11.647   69.501   11.046  172.461   12.498  159.301   12.832 13.15991 17.91291 
1 1 1  -24   20   14 o   94.016   14.393   25.975   7.0856   22.051   10.520   29.233   9.5862   86.873   22.298  101.159   18.206 -14.28593 28.78642 
1 1 1  -24   20   15 o  339.950   6.6837  314.738   12.235  314.727   18.067  314.747   16.629  339.832   9.8387  340.068   9.0492 -0.2358704 13.36748 
1 1 1  -24   20   16 o   99.650   13.789   27.588   7.2296   40.426   11.040   17.948   9.5660  120.736   16.922   78.565   21.777 42.17126 27.57880 
1 1 1  -24   20   17 o  126.853   18.694   37.633   12.238   82.005   23.132   20.387   14.421  169.169   25.304   84.537   27.523 84.63220 37.38777 
1 1 1  -24   20   18 o  199.159   12.970  110.260   13.238  111.892   22.664  109.414   16.309  199.280   21.046  199.037   15.164 0.2434998 25.94039 
1 1 1  -24   20   19 o  237.005   11.254  153.144   14.002  165.788   23.043  145.743   17.629  244.042   17.474  229.969   14.187 14.07254 22.50759 
1 1 1  -24   20   20 o  113.527   15.236   36.029   8.7508   33.591   10.770   40.766   15.011  109.663   18.175  117.390   24.458 -7.727608 30.47155 
1 1 1  -24   20   21 o   93.026   14.306   25.355   6.9929   22.502   9.9964   28.090   9.7858   87.496   21.335   98.556   19.064 -11.06049 28.61185 
1 1 1  -24   20   22 o  279.190   6.8080  213.307   10.218  207.497   15.120  218.191   13.863  275.519   10.156  282.861   9.0697 -7.341858 13.61603 
1 1 1  -24   20   23 o  155.135   9.1486   65.640   7.5835   71.084   11.804   61.813   9.8961  160.384   13.620  149.886   12.218 10.49742 18.29715 
1 1 1  -24   20   24 o   98.969   13.885   28.043   7.0717   32.485   11.156   25.059   9.1435  105.286   20.344   92.651   18.903 12.63525 27.77100 
1 1 1  -24   20   25 o   47.062   13.896  -1.4413   6.6354 -12.0949   9.8436   7.4311   8.9830   37.014   17.661   57.110   21.460 -20.09600 27.79276 
1 1 1  -24   20   26 o   59.818   14.954   8.1335   6.6208   0.2590   9.7083   14.980   9.0526   48.085   20.686   71.551   21.601 -23.46613 29.90853 
1 1 1  -24   20   27 o  213.899   7.5928  127.741   8.5960  113.332   13.087  138.676   11.400  202.693   11.948  225.106   9.3720 -22.41324 15.18550 
1 1 1  -24   20   28 o  131.751   10.538   49.563   7.2549   43.649   11.397   53.592   9.4072  124.348   16.961  139.153   12.511 -14.80452 21.07572 
1 1 1  -24   20   29 o   54.589   15.381   5.4414   6.7828   5.1763   10.284   5.6455   9.0240   55.354   22.321   53.825   21.169 1.528664 30.76257 
1 1 1  -24   20   30 o  133.099   9.8922   50.673   6.9375   40.334   10.176   59.652   9.4826  119.510   15.758  146.688   11.963 -27.17886 19.78437 
1 1 1  -24   20   31 o   99.336   13.024   28.889   6.7794   27.818   10.190   29.739   9.0804   96.316   20.223  102.356   16.417 -6.040169 26.04825 
1 1 1  -24   20   32 o   50.645   14.165   3.2906   6.3418  -5.5049   9.7598   9.7182   8.3433   41.618   19.095   59.672   20.927 -18.05434 28.32981 
1 1 1  -24   20   33 o   95.853   13.448   27.067   6.6623   30.979   10.297   24.251   8.7374  101.650   19.456   90.055   18.572 11.59505 26.89676 
1 1 1  -24   20   34 f  141.127   10.352   60.867   7.2143   39.781   11.302   75.368   9.3722  117.255   17.837  164.999   10.512 -47.74385 20.70380 
1 1 1  -24   20   35 f   50.934   14.570   3.7965   6.2438   7.7650   9.5519   0.8358   8.2504   57.257   21.984   44.610   19.127 12.64656 29.13997 
1 1 1  -24   20   36 o   65.093   13.783   7.6317   6.6228   26.098   10.240  -5.6475   8.6835   91.803   21.086   38.383   17.754 53.42048 27.56536 
1 1 1  -24   20   37 o   58.289   14.973   8.5771   6.6802   0.0989   10.499   14.345   8.6592   48.268   21.128   68.309   21.223 -20.04127 29.94694 
1 1 1  -24   20   38 o  155.022   8.9537   66.940   7.4386   75.148   11.453   60.951   9.7827  162.945   13.008  147.098   12.307 15.84653 17.90738 
1 1 1  -24   20   39 o   75.444   15.200   18.672   6.7547   12.278   10.652   22.973   8.7358   64.695   23.534   86.193   19.243 -21.49809 30.39976 
1 1 1  -24   20   40 o  114.116   11.398   37.553   6.8435   39.458   11.096   36.383   8.6941  115.550   17.770  112.682   14.279 2.868561 22.79584 
1 1 1  -24   20   41 o   84.946   15.194   22.493   6.9186   27.659   10.843   18.945   8.9856   92.797   21.964   77.096   21.000 15.70104 30.38804 
1 1 1  -24   20   42 o   53.691   15.346   6.2019   6.9741   2.1401   11.260   8.7300   8.8831   50.872   22.080   56.511   21.318 -5.639023 30.69205 
1 1 1  -24   20   43 f  132.768   11.029   52.116   7.6503   50.332   12.324   53.235   9.7581  129.426   17.622  136.110   13.267 -6.684311 22.05773 
1 1 1  -24   20   44 o   52.179   15.187   5.5970   7.0999   0.5625   11.102   9.0812   9.2356   47.977   21.332   56.381   21.624 -8.403889 30.37497 
1 1 1  -24   20   45 o  114.846   12.557   40.457   7.7040   41.033   11.800   40.030   10.171  114.490   19.074  115.201   16.338 -0.7112885 25.11452 
1 1 1  -24   20   46 o   45.983   22.506 -23.4459   18.738 -23.4459   18.738   0.0000   0.0000   45.983   22.506  ?   ?       ?      ? 
1 1 1  -24   20   49 o   67.993   17.075   10.670   8.0157   35.023   15.067   1.0561   9.4665   91.743   27.906   44.244   19.684 47.49902 34.14952 
1 1 1  -24   20   50 o   43.758   14.135  -0.1497   7.2556  -1.7719   12.163   0.7465   9.0403   45.012   20.888   42.504   19.048 2.507492 28.26934 
1 1 1  -24   21    1 f  163.558   8.5874   73.241   7.5845   69.832   10.683   76.706   10.770  159.678   12.381  167.438   11.903 -7.759583 17.17480 
1 1 1  -24   21    3 o  274.390   9.3057  204.986   13.798   0.0000   0.0000  204.986   13.798  ?   ?   274.390   9.3057      ?      ? 
1 1 1  -24   21    4 o   99.209   13.153   28.389   6.7839   18.199   9.4491   39.228   9.7456   79.130   21.527  119.288   15.119 -40.15810 26.30551 
1 1 1  -24   21    5 o  157.113   8.9556   67.734   7.5658   76.373   10.812   59.443   10.591  167.061   11.977  147.165   13.318 19.89522 17.91130 
1 1 1  -24   21    6 o  322.793   6.7230  283.094   11.696  293.213   17.294  274.566   15.876  328.026   9.7569  317.561   9.2520 10.46567 13.44605 
1 1 1  -24   21    7 o  188.996   8.2293   98.278   8.3381   92.067   12.349  103.482   11.304  183.305   12.467  194.686   10.745 -11.38087 16.45860 
1 1 1  -24   21    8 o  199.945   7.6561  109.216   8.2680  107.629   11.821  110.736   11.569  198.484   11.021  201.406   10.630 -2.921875 15.31211 
1 1 1  -24   21    9 o  122.156   10.864   41.287   7.1494   39.900   10.413   42.523   9.8337  120.092   16.046  124.220   14.650 -4.127838 21.72757 
1 1 1  -24   21   10 o  159.967   8.6342   69.480   7.4295   78.576   11.110   62.122   9.9924  169.366   12.139  150.568   12.281 18.79771 17.26845 
1 1 1  -24   21   11 o   52.018   14.796   2.7992   6.6906   8.0910   9.2738  -2.9450   9.6620   59.249   21.894   44.786   19.907 14.46257 29.59142 
1 1 1  -24   21   12 o  217.802   7.5457  128.729   8.8464  139.269   13.243  120.235   11.888  225.759   10.855  209.844   10.484 15.91449 15.09142 
1 1 1  -24   21   13 o  177.603   8.4602   86.313   8.1059   93.469   11.668   79.637   11.270  184.766   11.686  170.440   12.236 14.32643 16.92034 
1 1 1  -24   21   14 o  163.637   8.9882   73.128   7.9245   78.696   11.768   68.509   10.719  169.275   12.866  158.000   12.555 11.27432 17.97635 
1 1 1  -24   21   15 o  125.421   19.910   46.652   12.771   50.541   21.271   44.459   15.970  128.307   31.021  122.534   24.966 5.772774 39.82001 
1 1 1  -24   21   16 o  179.575   15.115   95.707   13.598   77.207   22.608  106.194   17.022  163.534   25.584  195.616   16.103 -32.08214 30.23023 
1 1 1  -24   21   17 o  222.272   13.387  141.086   14.955  131.622   25.957  145.788   18.297  214.954   22.347  229.590   14.748 -14.63640 26.77498 
1 1 1  -24   21   18 o   68.163   16.355   12.639   7.1790   13.143   10.417   12.184   9.9071   69.264   23.418   67.062   22.836 2.201561 32.70923 
1 1 1  -24   21   19 o   66.071   18.879   8.5299   9.0981  -5.5676   22.695   11.229   9.9311   66.912   30.070   65.230   22.835 1.681686 37.75730 
1 1 1  -24   21   20 o  141.331   10.448   55.137   7.9396   63.407   11.703   48.085   10.807  151.204   14.324  131.457   15.213 19.74727 20.89539 
1 1 1  -24   21   21 o   97.254   16.545   30.044   8.5312   34.521   10.321   20.387   15.158  110.844   17.231   83.664   28.248 27.18051 33.08919 
1 1 1  -24   21   22 o   60.975   15.882   9.0607   6.8858   8.8090   10.078   9.2812   9.4305   61.008   22.768   60.942   22.147 0.6677628E-01 31.76300 
1 1 1  -24   21   23 o  104.403   12.841   30.788   7.0525   34.850   10.850   27.817   9.2802  111.011   18.088   97.796   18.232 13.21515 25.68204 
1 1 1  -24   21   24 o   69.717   15.426   13.523   6.6277   19.157   9.8247   8.8183   8.9784   80.038   22.024   59.397   21.606 20.64087 30.85276 
1 1 1  -24   21   25 o   64.955   14.839   10.931   6.6379   2.0062   9.5807   19.170   9.2053   49.845   20.958   80.064   21.012 -30.21907 29.67747 
1 1 1  -24   21   26 o  246.644   7.0153  167.766   9.3015  158.425   13.620  175.932   12.734  239.940   10.504  253.348   9.3014 -13.40788 14.03067 
1 1 1  -24   21   27 o  152.925   9.0363   65.188   7.4264   63.470   11.003   66.625   10.065  150.817   13.501  155.033   12.014 -4.215958 18.07255 
1 1 1  -24   21   28 o   65.379   15.702   12.138   6.6256   11.680   9.4437   12.582   9.2979   64.580   22.286   66.177   22.125 -1.596725 31.40384 
1 1 1  -24   21   29 f   51.978   14.940   3.0541   6.6384   8.6076   10.316  -0.8712   8.6727   60.165   22.906   43.790   19.185 16.37426 29.87914 
1 1 1  -24   21   30 o   78.267   15.260   18.207   6.7908   24.842   10.197   12.920   9.1029   90.142   21.277   66.392   21.879 23.74987 30.51905 
1 1 1  -24   21   31 o   47.242   14.350   0.7586   6.5386   2.5766   9.9684  -0.6142   8.6624   50.639   21.339   43.844   19.192 6.794243 28.70001 
1 1 1  -24   21   32 o   80.707   15.200   20.260   6.7254   18.582   10.406   21.464   8.8136   77.380   23.114   84.033   19.744 -6.653099 30.39901 
1 1 1  -24   21   33 o   85.388   14.879   22.753   6.7840   20.625   10.541   24.257   8.8633   81.104   22.996   89.673   18.888 -8.569702 29.75842 
1 1 1  -24   21   34 o  145.902   9.6784   59.422   7.5624   66.297   11.684   54.465   9.9210  152.843   14.146  138.960   13.212 13.88242 19.35674 
1 1 1  -24   21   35 o   95.669   13.579   26.643   6.8533   36.825   10.679   19.513   8.9360  112.200   17.614   79.138   20.671 33.06204 27.15753 
1 1 1  -24   21   36 o   79.508   15.319   19.447   6.7156   24.245   10.486   16.110   8.7442   87.269   22.187   71.748   21.129 15.52109 30.63827 
1 1 1  -24   21   37 o   55.832   15.694   7.0006   7.0047   7.2901   10.898   6.7968   9.1438   57.379   23.033   54.284   21.322 3.094517 31.38737 
1 1 1  -24   21   38 o  140.004   9.9585   56.165   7.3864   55.571   11.582   56.572   9.5895  138.576   15.468  141.432   12.548 -2.856262 19.91704 
1 1 1  -24   21   39 o  123.220   12.575   48.066   7.5106   35.589   12.013   56.074   9.6235  105.872   21.726  140.568   12.669 -34.69638 25.15029 
1 1 1  -24   21   40 o   62.089   16.027   11.334   6.9044   12.755   10.801   10.352   8.9785   64.697   23.673   59.481   21.611 5.216286 32.05378 
1 1 1  -24   21   41 o   55.851   15.675   7.6220   7.0218   6.7252   10.840   8.2703   9.2168   55.687   22.746   56.015   21.573 -0.3274117 31.34913 
1 1 1  -24   21   42 o   61.977   15.463   12.140   6.9203   4.7605   11.130   16.792   8.8362   52.791   22.413   71.163   21.309 -18.37149 30.92634 
1 1 1  -24   21   43 o  164.054   9.3549   76.697   8.1749   88.868   12.962   68.658   10.534  174.122   13.776  153.987   12.660 20.13489 18.70983 
1 1 1  -24   21   44 o   76.559   18.737   20.960   9.3713   20.729   12.231   21.288   14.583   76.573   25.368   76.545   27.583 0.2777100E-01 37.47470 
1 1 1  -24   21   47 o   46.646   21.929  -3.5293   14.135  -3.5293   14.135   0.0000   0.0000   46.646   21.929  ?   ?       ?      ? 
1 1 1  -24   21   48 o   58.342   16.206   10.424   7.4954   16.234   11.571   6.2231   9.8387   65.858   24.432   50.826   21.298 15.03202 32.41175 
1 1 1  -24   21   49 o   65.031   15.308   16.232   7.5486   2.9193   11.769   25.535   9.8388   47.692   21.522   82.371   21.774 -34.67929 30.61576 
1 1 1  -24   22    1 o  139.975   9.5348   53.870   7.2077   51.461   10.030   56.442   10.364  136.725   13.576  143.226   13.391 -6.501190 19.06954 
1 1 1  -24   22    2 o   66.100   15.935   11.193   6.9942   15.825   10.108   6.9380   9.6878   74.299   22.905   57.902   22.162 16.39738 31.87089 
1 1 1  -24   22    3 o  183.615   8.3266   92.185   8.2413   95.059   12.159   89.743   11.209  186.188   12.085  181.042   11.457 5.145676 16.65323 
1 1 1  -24   22    4 f   57.911   15.388   6.8813   6.6545   3.4322   9.1896   10.684   9.6490   51.572   20.990   64.251   22.507 -12.67902 30.77584 
1 1 1  -24   22    5 o   79.507   15.025   18.320   6.7763   12.393   9.4703   24.538   9.7000   67.251   22.324   91.764   20.117 -24.51278 30.05076 
1 1 1  -24   22    6 o   59.213   15.575   7.9859   6.6657   7.2290   9.4434   8.7375   9.4101   57.956   21.952   60.469   22.101 -2.513721 31.15042 
1 1 1  -24   22    7 o  308.966   6.7299  260.329   11.224  260.659   16.258  260.030   15.514  309.087   9.7342  308.846   9.2958 0.2406921 13.45979 
1 1 1  -24   22    8 o  153.638   9.1132   64.450   7.5375   70.121   11.271   59.861   10.138  159.675   13.062  147.601   12.711 12.07437 18.22647 
1 1 1  -24   22    9 f  206.846   10.577  116.978   11.822   0.0000   0.0000  116.978   11.822  ?   ?   206.846   10.577      ?      ? 
1 1 1  -24   22   10 o   92.388   14.237   24.953   7.0774   18.354   10.183   31.119   9.8432   79.150   22.658  105.625   17.246 -26.47545 28.47423 
1 1 1  -24   22   11 o   57.342   15.588   6.5823   6.8068   8.4614   9.9920   4.9553   9.2978   60.724   22.669   53.960   21.403 6.763962 31.17668 
1 1 1  -24   22   12 o  120.042   11.413   39.905   7.3851   43.496   10.886   36.843   10.052  125.027   16.113  115.056   16.168 9.970505 22.82615 
1 1 1  -24   22   13 f  111.868   19.300   40.477   13.654   8.1464   21.450   62.500   17.704   75.928   31.600  147.808   22.166 -71.87955 38.59907 
1 1 1  -24   22   14 o   77.082   21.868   9.8210   13.065   20.004   23.366   5.1892   15.759   89.000   34.328   65.165   27.100 23.83474 43.73572 
1 1 1  -24   22   15 o  100.103   20.290   33.004   13.400   4.1802   23.093   47.635   16.453   74.244   31.921  125.962   25.054 -51.71822 40.57913 
1 1 1  -24   22   16 o   43.102   13.876  -5.3517   7.1195  -3.9791   10.013  -6.7551   10.125   44.254   19.922   41.949   19.321 2.305267 27.75282 
1 1 1  -24   22   17 o  187.749   8.3416   96.231   8.4264  108.525   12.574   86.209   11.353  198.565   11.719  176.933   11.874 21.63179 16.68323 
1 1 1  -24   22   18 o   90.011   15.026   24.244   7.1929   22.111   10.562   26.089   9.8225   85.910   22.489   94.111   19.935 -8.200150 30.05282 
1 1 1  -24   22   19 o  243.435   7.4298  163.525   9.6936  154.512   14.418  170.959   13.095  237.000   11.259  249.870   9.6982 -12.87001 14.85964 
1 1 1  -24   22   20 o   88.227   16.726   27.746   8.9154  -2.3063   20.681   34.606   9.8807   65.475   29.113  110.979   16.476 -45.50395 33.45192 
1 1 1  -24   22   21 o   42.533   19.682  -7.5217   10.686  -7.5217   10.686   0.0000   0.0000   42.533   19.682  ?   ?       ?      ? 
1 1 1  -24   22   22 o  179.215   10.858   92.270   10.125  100.204   13.075   80.383   16.004  190.107   12.728  168.322   17.595 21.78429 21.71616 
1 1 1  -24   22   23 f  182.501   11.545   92.063   11.386   0.0000   0.0000   92.063   11.386  ?   ?   182.501   11.545      ?      ? 
1 1 1  -24   22   24 o   99.692   13.355   28.441   6.9988   35.810   10.690   22.914   9.2588  111.986   17.666   87.398   20.033 24.58802 26.70996 
1 1 1  -24   22   25 o  155.251   14.071   67.526   11.805   67.526   11.805   0.0000   0.0000  155.251   14.071  ?   ?       ?      ? 
1 1 1  -24   22   26 o  114.957   11.760   36.854   7.2199   45.657   11.064   30.325   9.5284  126.844   16.141  103.070   17.108 23.77343 23.52080 
1 1 1  -24   22   27 o   93.308   14.289   25.957   7.0064   32.559   10.458   20.580   9.4375  104.554   19.219   82.062   21.150 22.49203 28.57736 
1 1 1  -24   22   28 o  215.047   7.4777  128.682   8.6146  121.897   12.844  134.231   11.615  209.478   11.346  220.615   9.7427 -11.13731 14.95534 
1 1 1  -24   22   29 o  108.133   12.738   34.105   7.1919   35.357   11.096   33.199   9.4440  108.535   19.643  107.732   16.223 0.8021774 25.47611 
1 1 1  -24   22   30 o   64.652   15.816   11.823   6.7688   14.683   9.9050   9.3182   9.2715   69.778   22.815   59.526   21.910 10.25176 31.63166 
1 1 1  -24   22   31 o  106.740   12.762   33.191   7.1753   36.913   10.981   30.417   9.4791  112.494   18.064  100.985   18.032 11.50895 25.52392 
1 1 1  -24   22   32 o   52.616   14.709  -0.3267   7.1505   14.692   10.903 -11.6623   9.4722   69.616   23.951   35.617   17.083 33.99900 29.41862 
1 1 1  -24   22   33 o  157.623   9.0751   69.141   7.6667   78.220   11.799   62.507   10.086  166.293   13.130  148.954   12.531 17.33942 18.15028 
1 1 1  -24   22   34 o   56.803   15.807   7.5508   7.1164   6.1563   10.846   8.6051   9.4303   55.912   22.785   57.694   21.917 -1.781837 31.61499 
1 1 1  -24   22   35 o  279.463   7.0169  217.134   10.541  218.105   15.737  216.344   14.196  279.623   10.415  279.302   9.4061 0.3211975 14.03384 
1 1 1  -24   22   36 o   96.689   14.466   31.586   7.3906   17.964   11.717   40.587   9.5242   74.642   24.834  118.736   14.844 -44.09467 28.93207 
1 1 1  -24   22   37 o   38.535   12.804  -9.6858   6.8115  -1.9211   10.337 -15.6455   9.0558   45.280   20.325   31.791   15.578 13.48950 25.60794 
1 1 1  -24   22   38 o   52.742   14.304   3.6786   6.9988 -11.7684   10.975   14.265   9.0858   38.565   18.468   66.920   21.850 -28.35506 28.60894 
1 1 1  -24   22   39 o   59.000   15.642   7.5112   6.9740   17.406   11.222   1.2850   8.9017   72.485   24.306   45.514   19.693 26.97059 31.28300 
1 1 1  -24   22   40 o   48.917   14.797   2.7685   7.1115  -2.2408   11.138   6.2158   9.2399   45.631   20.730   52.203   21.120 -6.571690 29.59380 
1 1 1  -24   22   41 o   88.723   15.934   27.645   7.7466   22.412   11.873   31.523   10.222   78.919   24.904   98.527   19.885 -19.60835 31.86889 
1 1 1  -24   22   42 o   63.957   17.891   8.3824   9.6110  -1.5948   12.341   23.761   15.322   48.204   21.869   79.709   28.320 -31.50422 35.78133 
1 1 1  -24   22   43 o   71.431   19.799   11.960   11.796   33.041   18.904  -1.4788   15.094   90.291   31.511   52.571   23.979 37.71913 39.59706 
1 1 1  -24   22   46 o   38.754   13.033  -7.9706   7.3975  -4.5805   11.034 -10.7385   9.9700   41.930   19.603   35.578   17.181 6.352070 26.06691 
1 1 1  -24   22   47 f   75.276   16.518   21.455   7.4580   28.911   11.604   16.207   9.7351   85.553   24.081   64.999   22.616 20.55324 33.03655 
1 1 1  -24   23    1 o  248.622   7.1141  168.676   9.5395  183.464   13.918  155.573   13.101  258.902   9.9482  238.342   10.172 20.56009 14.22814 
1 1 1  -24   23    2 o  251.662   7.0556  173.396   9.5923  170.206   13.634  176.523   13.498  249.323   10.120  254.001   9.8345 -4.677872 14.11128 
1 1 1  -24   23    3 o  155.450   9.0435   66.722   7.5925   64.793   10.796   68.610   10.680  153.160   13.044  157.740   12.529 -4.580032 18.08707 
1 1 1  -24   23    4 o  134.283   10.059   50.013   7.2989   50.203   10.332   49.824   10.312  134.541   14.212  134.026   14.239 0.5144501 20.11783 
1 1 1  -24   23    5 o  148.229   9.7658   60.386   7.6803   77.633   11.402   46.060   10.391  167.770   12.577  128.689   14.943 39.08168 19.53160 
1 1 1  -24   23    6 f   42.842   13.416  -4.2072   6.4184 -10.3158   8.9096   2.3829   9.2541   35.787   16.998   49.897   20.760 -14.11031 26.83118 
1 1 1  -24   23    7 o  203.451   7.6825  113.919   8.4190  104.967   12.015  122.555   11.801  195.424   11.378  211.479   10.326 -16.05519 15.36500 
1 1 1  -24   23    8 o   70.305   15.654   13.954   6.8625   18.884   9.6889   8.9906   9.7212   79.736   21.842   60.874   22.431 18.86270 31.30860 
1 1 1  -24   23    9 o  129.795   15.166   46.939   10.637   0.0000   0.0000   46.939   10.637  ?   ?   129.795   15.166      ?      ? 
1 1 1  -24   23   10 o   56.424   15.738   5.9550   7.0684   5.3710   10.357   6.4641   9.6705   56.205   22.493   56.643   22.018 -0.4374428 31.47561 
1 1 1  -24   23   11 o  106.093   22.028   35.929   13.418   31.667   21.553   38.626   17.147  100.737   33.686  111.448   28.393 -10.71072 44.05529 
1 1 1  -24   23   12 o   73.174   19.994   10.457   12.462  -9.8919   20.977   21.554   15.491   61.003   27.991   85.345   28.558 -24.34193 39.98864 
1 1 1  -24   23   13 o   84.413   22.423   14.517   13.487   33.221   23.781   5.6486   16.375  102.714   35.371   66.112   27.570 36.60169 44.84641 
1 1 1  -24   23   14 o   74.951   15.226   15.673   7.2270   26.405   10.310   5.3074   10.133   94.303   20.792   55.600   22.249 38.70242 30.45234 
1 1 1  -24   23   15 o  109.480   12.583   34.495   7.1586   42.033   10.283   27.406   9.9716  122.554   15.528   96.407   19.804 26.14716 25.16555 
1 1 1  -24   23   16 o   87.051   14.782   22.846   7.0233   15.801   9.9878   29.737   9.8781   73.286   22.797  100.815   18.825 -27.52856 29.56483 
1 1 1  -24   23   17 o  223.622   7.4875  137.725   9.0332  131.894   12.949  143.252   12.608  218.870   10.948  228.375   10.217 -9.504913 14.97490 
1 1 1  -24   23   18 o   62.402   14.165   7.7848   6.8165  -6.3461   9.8047   21.004   9.4833   41.222   18.997   83.582   21.018 -42.36061 28.33068 
1 1 1  -24   23   19 o   47.239   14.585  -0.8162   7.0790  -3.0273   10.155   1.2742   9.8737   45.154   20.215   49.323   21.030 -4.169273 29.17063 
1 1 1  -24   23   20 o   69.265   16.770   13.664   7.5169   14.470   11.328   13.029   10.048   70.954   24.413   67.575   22.998 3.379982 33.53941 
1 1 1  -24   23   21 o   73.904   20.242   12.414   8.9236   16.986   23.461   11.641   9.6489   83.127   33.645   64.680   22.515 18.44692 40.48393 
1 1 1  -24   23   22 o  122.000   11.879   42.230   7.8173   45.064   11.471   39.772   10.682  125.780   16.877  118.219   16.721 7.560936 23.75789 
1 1 1  -24   23   23 o   75.087   18.215   16.164   8.5077   14.820   10.359   18.948   14.912   70.738   23.342   79.436   27.970 -8.698463 36.42983 
1 1 1  -24   23   24 o  171.612   8.7439   82.180   8.0940   81.587   11.775   82.711   11.144  170.853   12.754  172.371   11.964 -1.517792 17.48776 
1 1 1  -24   23   25 o   41.490   13.342  -5.4371   6.7831 -11.9732   10.031   0.0688   9.2070   37.051   17.720   45.929   19.950 -8.877689 26.68362 
1 1 1  -24   23   26 o   88.326   15.361   24.067   7.2681   24.893   10.654   23.347   9.9400   89.583   22.137   87.070   21.302 2.513725 30.72174 
1 1 1  -24   23   27 o  172.118   8.8229   81.834   8.1438   91.780   12.493   74.485   10.739  180.952   12.776  163.285   12.171 17.66623 17.64589 
1 1 1  -24   23   28 o  182.540   8.5136   92.516   8.3298   98.413   12.755   88.130   10.999  187.277   12.604  177.802   11.448 9.475281 17.02720 
1 1 1  -24   23   29 o  107.807   13.303   34.821   7.4475   33.595   11.440   35.722   9.8114  104.364   21.012  111.249   16.321 -6.884911 26.60612 
1 1 1  -24   23   30 o  167.582   8.9549   78.875   8.0786   82.133   12.047   76.213   10.890  170.487   13.076  164.676   12.238 5.810913 17.90989 
1 1 1  -24   23   31 o  161.057   9.1548   73.825   7.8628   70.285   11.940   76.535   10.448  156.967   14.077  165.148   11.708 -8.181396 18.30950 
1 1 1  -24   23   32 o   57.152   15.901   7.7670   7.1668   6.9427   11.051   8.3654   9.4151   57.131   23.103   57.174   21.856 -0.4259109E-01 31.80278 
1 1 1  -24   23   33 o  120.902   11.335   41.307   7.2974   50.815   11.543   34.977   9.4183  132.082   16.173  109.722   15.885 22.35992 22.66922 
1 1 1  -24   23   34 o   53.919   15.486   5.3166   7.0232   8.6530   10.775   2.8524   9.2604   59.099   23.167   48.739   20.555 10.35976 30.97107 
1 1 1  -24   23   35 o   96.447   13.287   26.411   7.4690   57.139   11.769   5.6889   9.6647  139.923   15.565   52.971   21.539 86.95244 26.57457 
1 1 1  -24   23   36 o   47.840   14.709   1.3101   7.1227  -1.9184   11.104   3.5669   9.2843   46.475   20.946   49.205   20.657 -2.729248 29.41819 
1 1 1  -24   23   37 f   67.300   13.796   12.465   7.1683  -7.0523   10.920   27.242   9.5021   41.650   19.482   92.950   19.539 -51.29951 27.59182 
1 1 1  -24   23   38 o   51.479   15.058   1.9650   7.1629   13.098   11.314  -5.4829   9.2537   64.161   24.089   38.796   18.076 25.36546 30.11641 
1 1 1  -24   23   39 o   65.050   16.273   12.882   7.3441   20.786   11.314   7.1270   9.6543   76.522   24.328   53.579   21.619 22.94242 32.54612 
1 1 1  -24   23   40 o   48.223   15.706  -3.0758   9.1767  -0.5963   11.218  -8.0923   15.956   47.210   21.184   49.237   23.194 -2.026726 31.41159 
1 1 1  -24   23   41 o   85.623   20.396   27.129   11.378   19.655   15.335   36.284   16.972   74.348   28.019   96.898   29.648 -22.55032 40.79264 
1 1 1  -24   23   44 o   41.740   14.102  -9.6274   9.0933  -3.9259   11.918 -17.5698   14.067   43.903   20.475   39.577   19.398 4.325680 28.20451 
1 1 1  -24   23   45 o   49.430   14.756   4.5920   7.3106  -4.0865   11.008   11.439   9.7780   41.525   19.467   57.336   22.181 -15.81071 29.51192 
1 1 1  -24   23   46 o   61.873   16.559   15.349   7.7153   12.549   11.672   17.522   10.282   57.840   23.612   65.906   23.223 -8.066132 33.11808 
1 1 1  -24   24    1 o  103.131   13.352   30.679   7.1844   40.143   10.555   22.510   9.8069  119.494   16.346   86.769   21.116 32.72446 26.70384 
1 1 1  -24   24    2 o   51.754   14.782   1.6089   6.9996  -6.9962   10.004   9.8627   9.7974   41.289   19.084   62.219   22.580 -20.92978 29.56413 
1 1 1  -24   24    3 f  309.106   9.5981  261.742   16.032   0.0000   0.0000  261.742   16.032  ?   ?   309.106   9.5981      ?      ? 
1 1 1  -24   24    4 o  217.647   7.5971  130.077   8.9258  133.262   12.975  127.216   12.298  220.115   10.908  215.178   10.577 4.937653 15.19422 
1 1 1  -24   24    5 o  136.148   14.628   51.709   10.762   0.0000   0.0000   51.709   10.762  ?   ?   136.148   14.628      ?      ? 
1 1 1  -24   24    6 o   58.742   15.223   7.1106   6.7290   0.7996   9.3015   14.040   9.7465   47.705   20.378   69.778   22.622 -22.07251 30.44646 
1 1 1  -24   24    7 o   42.223   13.543  -5.2180   6.7415  -8.6733   9.2042  -1.2191   9.9017   37.759   17.733   46.687   20.475 -8.927952 27.08693 
1 1 1  -24   24    8 o  191.913   13.429   93.024   10.954  126.441   26.577   86.186   12.023  207.403   23.714  176.423   12.611 30.98044 26.85882 
1 1 1  -24   24    9 o   87.453   20.614   18.381   15.045 -22.9955   24.712   42.748   18.964   59.292   28.205  115.615   30.071 -56.32268 41.22840 
1 1 1  -24   24   10 o   60.815   19.521  -7.3887   14.249 -21.6059   22.914   1.5754   18.195   57.167   27.184   64.463   28.024 -7.296333 39.04198 
1 1 1  -24   24   11 o   50.604   16.367  -4.4747   8.8400  -3.0946   10.185  -8.6892   17.798   45.242   20.251   55.967   25.718 -10.72435 32.73428 
1 1 1  -24   24   12 o  165.520   8.8848   76.145   7.9191   68.704   11.156   83.705   11.244  157.151   13.137  173.889   11.966 -16.73764 17.76960 
1 1 1  -24   24   13 o  107.691   12.323   32.986   7.1671   34.410   10.308   31.653   9.9723  109.964   17.347  105.418   17.506 4.546280 24.64503 
1 1 1  -24   24   14 o  158.720   9.1081   70.294   7.7888   66.619   11.244   73.684   10.799  154.506   13.468  162.935   12.266 -8.428894 18.21630 
1 1 1  -24   24   15 o  138.176   10.503   53.823   7.7356   65.183   11.137   43.234   10.752  152.779   13.490  123.574   16.102 29.20469 21.00662 
1 1 1  -24   24   16 o  102.758   13.284   31.503   7.0443   20.132   9.8432   43.440   10.085   81.306   21.910  124.210   15.026 -42.90414 26.56727 
1 1 1  -24   24   17 o   77.554   15.717   18.343   6.9704   15.989   10.056   20.521   9.6703   73.004   22.902   82.105   21.531 -9.101318 31.43400 
1 1 1  -24   24   18 o  106.318   13.150   33.268   7.3222   30.329   10.725   35.833   10.021  100.429   20.458  112.206   16.527 -11.77693 26.29971 
1 1 1  -24   24   19 o   64.334   16.139   11.197   7.2474   6.6695   10.575   15.207   9.9523   57.449   22.813   71.218   22.835 -13.76909 32.27860 
1 1 1  -24   24   20 o   99.747   14.146   29.862   7.4944   43.299   10.940   17.982   10.287  123.073   16.450   76.421   23.017 46.65173 28.29134 
1 1 1  -24   24   21 o  195.302   8.2899  104.828   8.6840  117.652   13.307   95.316   11.461  205.442   11.987  185.163   11.454 20.27942 16.57976 
1 1 1  -24   24   22 o  176.381   16.183  100.767   10.968   82.973   24.922  105.041   12.215  158.499   30.201  194.262   11.636 -35.76300 32.36500 
1 1 1  -24   24   23 o   60.967   16.392   9.1704   7.4931   7.3498   10.507   11.055   10.689   57.998   22.832   63.936   23.527 -5.937347 32.78433 
1 1 1  -24   24   24 o   95.411   17.134   26.937   8.5648   21.464   10.542   37.568   14.691   82.711   22.835  108.111   25.552 -25.39950 34.26881 
1 1 1  -24   24   25 o  192.995   8.4146  103.796   8.7578  110.328   12.893   98.201   11.933  198.546   12.018  187.443   11.781 11.10313 16.82915 
1 1 1  -24   24   26 o  126.880   12.045   45.975   7.7917   64.429   11.971   32.410   10.264  150.237   14.745  103.522   19.049 46.71499 24.08951 
1 1 1  -24   24   27 o  115.150   13.019   39.911   7.7751   36.256   11.672   42.826   10.425  108.459   20.670  121.840   15.834 -13.38116 26.03797 
1 1 1  -24   24   28 o   41.738   13.606  -5.8115   7.2079 -10.5507   10.996  -2.2409   9.5445   39.910   18.935   43.567   19.545 -3.656490 27.21298 
1 1 1  -24   24   29 o   75.954   16.641   18.731   7.5723   16.393   11.580   20.478   10.008   71.991   24.689   79.918   22.319 -7.927689 33.28150 
1 1 1  -24   24   30 o   43.439   13.963  -3.4947   7.1354  -3.8765   10.577  -3.1758   9.6660   44.119   20.104   42.759   19.381 1.360123 27.92528 
1 1 1  -24   24   31 o   59.331   16.063   9.0905   7.2992   6.0702   10.802   11.629   9.9021   55.584   22.705   63.078   22.729 -7.494076 32.12693 
1 1 1  -24   24   32 o  113.679   12.285   38.165   7.4376   38.899   11.545   37.645   9.7247  113.772   18.778  113.586   15.844 0.1855545 24.56939 
1 1 1  -24   24   33 o  104.278   13.958   33.754   7.5174   36.235   11.507   31.907   9.9288  107.013   20.648  101.543   18.787 5.469727 27.91589 
1 1 1  -24   24   34 o   91.444   15.737   27.130   7.6600   29.687   11.594   25.150   10.204   94.891   22.878   87.998   21.616 6.892990 31.47470 
1 1 1  -24   24   35 o  142.809   10.445   58.840   7.9913   66.150   12.327   53.540   10.495  150.028   15.205  135.590   14.325 14.43793 20.89019 
1 1 1  -24   24   36 o   62.758   16.460   12.577   7.3744   12.880   11.324   12.354   9.7172   63.464   24.039   62.052   22.492 1.411930 32.92068 
1 1 1  -24   24   37 o   75.257   16.364   19.903   7.6790   13.140   11.523   25.305   10.299   63.989   24.246   86.526   21.984 -22.53626 32.72877 
1 1 1  -24   24   38 o   67.643   17.420   10.816   10.423   28.716   13.911 -12.0946   15.738   88.623   26.783   46.663   22.283 41.96020 34.84047 
1 1 1  -24   24   39 o   52.281   16.946  -5.8081   11.002 -16.2905   14.626   7.8559   16.699   42.584   20.623   61.979   26.895 -19.39551 33.89181 
1 1 1  -24   24   40 o   47.012   22.645 -12.0135   17.059   0.0000   0.0000 -12.0135   17.059  ?   ?    47.012   22.645      ?      ? 
1 1 1  -24   24   41 o   37.872   18.984 -30.8784   16.692   0.0000   0.0000 -30.8784   16.692  ?   ?    37.872   18.984      ?      ? 
1 1 1  -24   24   42 o  103.385   21.581   46.801   12.584   49.820   22.262   45.383   15.255   98.482   34.205  108.287   26.327 -9.805000 43.16293 
1 1 1  -24   24   43 o   51.252   14.933   4.0982   7.8539 -10.9195   11.989   15.387   10.395   38.797   18.761   63.706   23.237 -24.90944 29.86515 
1 1 1  -24   24   44 o   36.729   12.591  -9.9981   7.5929  -9.0331   11.814 -10.6771   9.9106   38.912   18.769   34.546   16.788 4.365917 25.18134 
1 1 1  -24   25    1 o   47.928   14.464   0.1157   6.8428  -4.9932   9.7928   4.9905   9.5656   42.268   19.293   53.587   21.556 -11.31972 28.92880 
1 1 1  -24   25    2 o   95.094   14.570   27.451   7.2701   23.832   10.601   30.664   9.9891   88.307   22.231  101.882   18.838 -13.57487 29.13934 
1 1 1  -24   25    3 o   89.248   14.253   23.725   7.0229   14.841   9.8022   33.094   10.067   70.782   22.659  107.714   17.295 -36.93154 28.50546 
1 1 1  -24   25    4 o   97.770   19.672   28.495   10.033   28.495   10.033   0.0000   0.0000   97.770   19.672  ?   ?       ?      ? 
1 1 1  -24   25    5 f   52.372   17.877  -9.8421   9.4064 -14.7905   26.974  -9.1570   10.036   65.410   30.603   39.335   18.487 26.07475 35.75370 
1 1 1  -24   25    6 o  132.005   22.991   56.041   15.445   64.797   27.548   52.027   18.652  136.001   36.655  128.009   27.764 7.992752 45.98249 
1 1 1  -24   25    7 o   73.845   21.824   9.6845   14.637  -5.2432   26.654   16.131   17.515   70.013   31.908   77.676   29.782 -7.662880 43.64718 
1 1 1  -24   25    8 o   72.389   21.704   7.5427   14.110   11.432   23.960   5.4775   17.459   78.554   33.092   66.225   28.092 12.32889 43.40759 
1 1 1  -24   25    9 o   70.824   16.562   14.813   7.4644   17.280   10.021   11.737   11.188   75.491   22.712   66.158   24.111 9.332886 33.12382 
1 1 1  -24   25   10 o   60.059   13.347   3.0602   6.9972   22.706   9.7165 -18.1044   10.085   86.471   21.003   33.647   16.477 52.82422 26.69494 
1 1 1  -24   25   11 f  227.768   10.261  143.074   12.629   0.0000   0.0000  143.074   12.629  ?   ?   227.768   10.261      ?      ? 
1 1 1  -24   25   12 o   66.869   16.171   12.865   7.0254   12.875   9.9045   12.855   9.9666   66.867   22.833   66.870   22.904 -0.3387451E-02 32.34116 
1 1 1  -24   25   13 o   70.900   16.176   14.985   7.0528   16.635   10.314   13.535   9.6657   73.948   23.193   67.852   22.555 6.095856 32.35181 
1 1 1  -24   25   14 o   62.305   15.842   10.365   6.9452   6.7842   10.043   13.647   9.6155   56.666   22.317   67.945   22.492 -11.27875 31.68494 
1 1 1  -24   25   15 o   97.435   13.599   28.467   6.9043   29.791   9.8906   27.208   9.6425   99.789   19.037   95.080   19.424 4.708290 27.19730 
1 1 1  -24   25   16 o   85.597   15.666   22.614   7.3820   27.552   10.668   18.077   10.226   94.726   21.352   76.467   22.929 18.25941 31.33143 
1 1 1  -24   25   17 f  107.467   13.511   33.464   7.4762   49.408   11.427   21.531   9.8856  131.486   16.083   83.448   21.714 48.03793 27.02164 
1 1 1  -24   25   18 o   57.233   14.210   5.1595   6.8324   17.535   9.3030  -9.3319   10.067   75.468   21.672   38.998   18.386 36.46949 28.42048 
1 1 1  -24   25   19 o  114.675   12.816   38.854   7.7004   35.363   11.176   42.010   10.625  108.296   19.828  121.054   16.243 -12.75818 25.63190 
1 1 1  -24   25   20 o   86.585   14.488   23.587   7.3271   10.866   10.706   34.796   10.049   63.416   23.506  109.755   16.944 -46.33904 28.97685 
1 1 1  -24   25   21 o  104.192   13.664   32.283   7.4683   40.460   11.018   25.333   10.158  118.044   17.274   90.340   21.176 27.70330 27.32795 
1 1 1  -24   25   22 o  161.527   10.052   74.068   8.7380   75.608   13.001   72.799   11.801  162.725   14.786  160.328   13.621 2.397186 20.10341 
1 1 1  -24   25   23 o  105.861   19.238   37.564   9.7909   34.820   22.263   38.222   10.902   97.467   34.185  114.256   17.658 -16.78816 38.47631 
1 1 1  -24   25   24 o   71.847   16.853   15.595   7.8696   10.022   10.811   21.878   11.477   61.565   23.448   82.130   24.213 -20.56437 33.70554 
1 1 1  -24   25   25 f   55.851   16.911   3.3910   8.7339   1.8166   10.859   6.2748   14.697   50.564   21.815   61.138   25.845 -10.57419 33.82108 
1 1 1  -24   25   26 o   95.161   15.107   28.776   7.5800   26.120   11.046   31.140   10.421   90.026   22.708  100.296   19.931 -10.27023 30.21409 
1 1 1  -24   25   27 o   79.227   16.368   20.210   7.4365   21.961   10.930   18.701   10.147   82.169   23.457   76.284   22.834 5.884995 32.73566 
1 1 1  -24   25   28 o   62.293   16.330   10.991   7.2971   10.365   10.909   11.498   9.8167   61.818   23.551   62.768   22.629 -0.9494019 32.66076 
1 1 1  -24   25   29 o   58.621   16.056   8.6571   7.2658   11.314   10.736   6.4116   9.8695   62.804   23.488   54.437   21.896 8.367096 32.11108 
1 1 1  -24   25   30 o   79.102   16.764   20.863   7.7235   20.842   11.263   20.881   10.611   78.858   24.156   79.345   23.250 -0.4866562 33.52740 
1 1 1  -24   25   31 o   48.599   14.858   1.7482   7.2071  -0.7730   10.587   3.9260   9.8392   46.587   20.764   50.610   21.257 -4.022350 29.71570 
1 1 1  -24   25   32 o  126.540   12.679   48.330   8.1934   64.419   12.150   34.911   11.096  148.252   15.166  104.828   20.322 43.42447 25.35769 
1 1 1  -24   25   33 o  153.331   13.540   68.471   11.219   0.0000   0.0000   68.471   11.219  ?   ?   153.331   13.540      ?      ? 
1 1 1  -24   25   34 o   55.425   15.767   6.6861   7.5105   13.582   11.057   0.7783   10.234   64.318   23.879   46.533   20.595 17.78532 31.53329 
1 1 1  -24   25   35 o   41.116   14.031 -13.2910   8.9107 -14.5388   11.242 -11.1824   14.614   36.984   17.951   45.248   21.570 -8.264294 28.06248 
1 1 1  -24   25   36 o  125.497   16.859   50.749   11.058   29.414   14.361   81.824   17.331   89.439   27.253  161.554   19.853 -72.11475 33.71756 
1 1 1  -24   25   37 o   43.854   14.926 -13.6479   10.416 -12.5473   14.204 -14.9279   15.318   43.561   20.900   44.147   21.314 -0.5862083 29.85124 
1 1 1  -24   25   38 o  130.505   16.894   61.957   11.638   55.586   15.998   69.122   16.963  121.126   25.260  139.885   22.441 -18.75925 33.78833 
1 1 1  -24   25   39 o   46.525   22.298  -7.4820   16.071   0.0000   0.0000  -7.4820   16.071  ?   ?    46.525   22.298      ?      ? 
1 1 1  -24   25   40 o   66.031   19.458   16.242   12.156   4.4347   21.317   21.932   14.798   59.170   27.524   72.892   27.511 -13.72162 38.91586 
1 1 1  -24   25   41 o   63.069   17.718   15.563   9.6063   21.311   12.449   7.1014   15.104   71.277   25.506   54.861   24.601 16.41550 35.43686 
1 1 1  -24   26    1 o   72.873   15.434   15.949   6.7313   11.145   9.3342   21.155   9.7161   62.948   22.132   82.799   21.519 -19.85074 30.86879 
1 1 1  -24   26    2 f  131.042   11.040   48.423   7.7758   55.623   11.640   42.620   10.449  139.841   15.404  122.242   15.819 17.59933 22.08006 
1 1 1  -24   26    3 o   72.792   22.105   8.1759   15.591   3.9932   24.358   11.079   20.292   71.990   31.822   73.595   30.691 -1.605370 44.21054 
1 1 1  -24   26    4 o   98.546   24.659   30.374   15.346   45.923   28.059   23.739   18.330  110.867   38.407   86.226   30.940 24.64108 49.31894 
1 1 1  -24   26    5 o   92.167   24.407   26.133   15.411   35.653   27.795   21.908   18.518  100.365   37.742   83.970   30.956 16.39514 48.81325 
1 1 1  -24   26    6 o   65.347   18.186   10.499   8.7468   12.888   9.7885   1.0338   19.485   66.476   22.699   64.218   28.420 2.257881 36.37226 
1 1 1  -24   26    7 o  126.544   11.663   46.758   7.7828   55.446   10.726   37.097   11.311  140.154   14.162  112.933   18.535 27.22192 23.32594 
1 1 1  -24   26    8 o  144.252   13.851   58.631   10.797   0.0000   0.0000   58.631   10.797  ?   ?   144.252   13.851      ?      ? 
1 1 1  -24   26    9 o   45.588   14.183  -3.0238   7.0657  -9.6839   9.8019   4.1805   10.195   38.080   18.011   53.096   21.915 -15.01696 28.36687 
1 1 1  -24   26   10 o   60.383   14.922   6.9349   7.2093   19.014   10.053  -5.8523   10.344   78.272   22.544   42.493   19.556 35.77874 29.84397 
1 1 1  -24   26   11 o  122.249   11.232   42.595   7.3939   47.652   10.718   38.003   10.213  129.384   15.331  115.114   16.419 14.26968 22.46335 
1 1 1  -24   26   12 o  135.771   10.804   52.495   7.9079   57.062   11.292   48.100   11.078  141.809   14.736  129.734   15.802 12.07565 21.60710 
1 1 1  -24   26   13 o   66.008   15.562   12.602   6.8383   17.746   9.4044   6.8312   9.9612   75.705   21.804   56.311   22.211 19.39345 31.12458 
1 1 1  -24   26   14 f  137.306   10.471   53.574   7.7561   54.904   11.346   52.406   10.627  138.751   15.132  135.861   14.476 2.889023 20.94107 
1 1 1  -24   26   15 o   67.965   16.020   13.260   7.2532   6.9948   10.148   19.802   10.370   56.650   22.395   79.280   22.915 -22.63004 32.04094 
1 1 1  -24   26   16 o   48.344   14.552  -0.3137   7.0529   7.3151   10.167  -7.3905   9.7922   57.055   22.460   39.632   18.509 17.42281 29.10360 
1 1 1  -24   26   17 o   83.707   15.673   22.260   7.2427   19.473   10.588   24.711   9.9292   78.309   23.298   89.105   20.971 -10.79574 31.34615 
1 1 1  -24   26   18 o  137.776   10.804   54.751   7.9976   49.674   11.501   59.504   11.129  131.034   16.243  144.519   14.250 -13.48499 21.60840 
1 1 1  -24   26   19 o   61.874   16.160   10.182   7.2572   14.211   10.550   6.5625   9.9990   68.321   23.556   55.426   22.129 12.89569 32.31998 
1 1 1  -24   26   20 o   62.263   15.411   10.124   7.1354   18.224   9.7771   0.8923   10.437   75.726   22.354   48.799   21.219 26.92674 30.82159 
1 1 1  -24   26   21 o   57.983   16.141   7.4367   7.4681   11.641   11.237   4.1108   9.9946   64.168   24.023   51.797   21.565 12.37128 32.28267 
1 1 1  -24   26   22 o  163.417   14.069   76.419   12.423   76.419   12.423   0.0000   0.0000  163.417   14.069  ?   ?       ?      ? 
1 1 1  -24   26   23 o   64.535   16.863   11.241   7.8621   16.854   11.941   6.9458   10.446   72.774   25.063   56.297   22.568 16.47697 33.72640 
1 1 1  -24   26   24 o   70.089   20.413   3.8586   9.2618   34.459   24.486  -1.2508   10.005   94.727   35.462   45.452   20.227 49.27562 40.82557 
1 1 1  -24   26   25 o   55.706   15.416   1.1536   8.0942 -13.9401   11.247   17.368   11.658   38.088   18.357   73.324   24.773 -35.23625 30.83280 
1 1 1  -24   26   26 o   96.579   18.021   31.059   9.2790   28.935   11.621   34.797   15.414   93.829   23.079   99.328   27.683 -5.498505 36.04116 
1 1 1  -24   26   27 o  102.387   14.734   32.792   8.0208   44.907   11.911   22.740   10.849  122.147   18.046   82.627   23.295 39.51992 29.46718 
1 1 1  -24   26   28 o   47.638   14.785  -0.3877   7.4745   4.9624   10.777  -5.3468   10.376   53.357   22.319   41.919   19.396 11.43829 29.56918 
1 1 1  -24   26   29 f   61.670   16.450   9.0518   7.9849   19.237   11.994   0.9452   10.701   75.029   25.129   48.311   21.234 26.71795 32.89932 
1 1 1  -24   26   30 o  107.384   15.050   37.780   8.4126   40.130   12.317   35.725   11.517  110.475   21.406  104.295   21.160 6.180016 30.09913 
1 1 1  -24   26   31 o   80.206   17.250   23.135   8.3644   17.827   12.190   27.857   11.498   71.044   25.259   89.368   23.498 -18.32407 34.49909 
1 1 1  -24   26   32 o   69.566   18.909   16.282   9.8162   16.377   12.273   16.115   16.353   69.311   25.254   69.820   28.149 -0.5085297 37.81757 
1 1 1  -24   26   33 o   88.680   20.056   29.621   10.793   29.775   13.962   29.392   17.014   90.445   26.717   86.916   29.918 3.528442 40.11105 
1 1 1  -24   26   34 o   51.683   16.404  -3.8762   10.599   9.2725   13.597 -24.2342   16.919   60.588   25.183   42.778   21.028 17.80968 32.80795 
1 1 1  -24   26   35 o   56.444   17.742   2.6954   10.932  -6.4122   14.263   15.660   17.018   46.287   21.842   66.601   27.964 -20.31454 35.48304 
1 1 1  -24   26   36 o   61.145   17.638   14.181   9.2157   12.507   14.455   15.328   11.962   59.535   25.416   62.754   24.462 -3.218811 35.27551 
1 1 1  -24   26   37 o   93.805   21.477   40.553   12.550   38.333   20.572   41.869   15.839   86.976   32.516  100.635   28.067 -13.65931 42.95428 
1 1 1  -24   26   38 o   63.865   19.814   10.007   12.432   29.347   21.744   0.6146   15.154   76.491   31.824   51.240   23.614 25.25137 39.62818 
1 1 1  -24   26   39 o   86.906   19.818   33.786   10.391   29.751   13.289   40.135   16.670   82.637   26.376   91.175   29.587 -8.538498 39.63665 
1 1 1  -24   27    1 o  104.247   26.002   39.159   17.472   51.441   30.082   32.905   21.464  112.604   39.717   95.889   33.570 16.71528 52.00382 
1 1 1  -24   27    2 o  102.201   23.776   40.027   16.774   17.642   29.276   50.968   20.467   83.554   35.933  120.847   31.146 -37.29247 47.55275 
1 1 1  -24   27    3 o  116.470   18.872   41.609   9.5667   40.077   10.569   48.559   22.510  117.666   16.622  115.274   33.887 2.391922 37.74448 
1 1 1  -24   27    4 o  122.721   11.506   43.580   7.5826   44.590   10.261   42.364   11.254  124.784   15.218  120.657   17.261 4.127037 23.01157 
1 1 1  -24   27    5 o   57.377   15.515   5.9186   7.0109  -0.2995   9.1474   14.772   10.915   45.005   19.710   69.750   23.966 -24.74502 31.02994 
1 1 1  -24   27    6 o   88.283   15.738   24.533   7.6031   19.225   10.570   30.223   10.944   77.869   23.304   98.697   21.156 -20.82838 31.47519 
1 1 1  -24   27    7 o  179.630   8.9867   90.870   8.7229   91.208   12.370   90.537   12.302  179.954   12.721  179.305   12.697 0.6493225 17.97336 
1 1 1  -24   27    8 o   70.582   15.458   12.764   7.4461   1.6342   9.9398   26.997   11.241   48.918   20.985   92.247   22.704 -43.32920 30.91627 
1 1 1  -24   27    9 o  109.414   13.498   35.926   7.7765   39.782   11.070   32.169   10.927  116.646   17.562  102.182   20.503 14.46320 26.99616 
1 1 1  -24   27   10 o   60.495   15.233   8.3120   7.1240   17.919   9.9815  -1.6635   10.171   75.325   22.669   45.664   20.353 29.66103 30.46527 
1 1 1  -24   27   11 o  142.096   9.8704   56.992   7.5472   52.153   10.133   63.023   11.311  135.434   13.846  148.759   14.071 -13.32524 19.74071 
1 1 1  -24   27   12 o   54.186   15.371   5.2930   7.0183   1.1282   9.7051   9.8587   10.161   47.703   20.602   60.670   22.819 -12.96693 30.74294 
1 1 1  -24   27   13 f  175.873   9.0243   87.307   8.5370   76.704   11.845   98.769   12.315  164.419   13.332  187.326   12.166 -22.90643 18.04861 
1 1 1  -24   27   14 o  120.152   12.035   42.322   7.7817   38.092   10.970   46.606   11.040  113.627   17.866  126.677   16.129 -13.04970 24.06943 
1 1 1  -24   27   15 o  113.139   13.881   39.912   8.0013   26.389   11.323   53.398   11.308   90.351   23.102  135.927   15.395 -45.57565 27.76220 
1 1 1  -24   27   16 o   97.035   14.860   29.273   7.5769   35.968   11.256   23.726   10.246  107.906   20.042   86.163   21.945 21.74302 29.72021 
1 1 1  -24   27   17 o   73.800   16.424   17.411   7.4087   20.654   10.394   14.062   10.562   79.953   22.893   67.646   23.557 12.30689 32.84788 
1 1 1  -24   27   18 o  170.203   9.0097   82.545   8.2285   74.621   11.915   89.770   11.377  161.781   13.630  178.626   11.787 -16.84573 18.01946 
1 1 1  -24   27   19 o   71.112   15.949   14.738   7.3726   24.435   10.977   6.7682   9.9514   86.865   23.016   55.359   22.084 31.50601 31.89765 
1 1 1  -24   27   20 f  102.980   14.228   32.088   7.7392   50.099   11.740   18.244   10.292  130.763   16.614   75.197   23.101 55.56587 28.45513 
1 1 1  -24   27   21 o   98.546   15.199   30.619   7.8390   35.158   11.806   27.039   10.484  105.176   21.498   91.915   21.492 13.26105 30.39863 
1 1 1  -24   27   22 o   45.824   14.445  -1.0521   7.2542  -2.2495   10.122   0.2123   10.402   44.288   19.975   47.359   20.871 -3.070496 28.89006 
1 1 1  -24   27   23 o  130.623   11.853   49.829   8.2502   62.634   12.455   39.819   11.013  146.007   15.787  115.240   17.685 30.76667 23.70601 
1 1 1  -24   27   24 o   81.519   16.415   21.359   8.0573   32.447   11.938   12.080   10.920   99.450   22.712   63.588   23.706 35.86239 32.83038 
1 1 1  -24   27   25 o   58.876   18.396   4.7279   9.7245   2.7815   22.157   5.1923   10.823   64.255   29.209   53.498   22.371 10.75649 36.79175 
1 1 1  -24   27   26 o   77.821   16.846   20.692   8.6010   9.2838   12.401   31.266   11.939   59.758   24.360   95.885   23.277 -36.12786 33.69285 
1 1 1  -24   27   27 o   43.320   14.570 -10.6612   9.5082  -3.1660   11.645 -25.6532   16.469   45.365   20.830   41.276   20.377 4.088394 29.13967 
1 1 1  -24   27   28 o   40.004   13.919 -20.8290   10.113 -19.7008   12.744 -22.7477   16.620   37.292   18.315   42.716   20.966 -5.424313 27.83890 
1 1 1  -24   27   29 o   46.386   15.626 -10.8869   10.714  -9.3896   14.080 -12.9459   16.512   45.455   21.525   47.317   22.657 -1.861668 31.25224 
1 1 1  -24   27   30 o   67.864   19.194   12.334   10.976   3.5653   14.585   23.784   16.667   56.121   24.725   79.607   29.364 -23.48569 38.38720 
1 1 1  -24   27   31 f   78.516   19.314   22.446   10.842   32.050   14.822   11.392   15.901   92.535   27.574   64.497   27.053 28.03872 38.62873 
1 1 1  -24   27   32 o  104.310   19.627   42.976   11.261   44.054   15.268   41.689   16.676  107.765   26.422  100.854   29.030 6.910713 39.25425 
1 1 1  -24   27   33 o   43.575   14.526  -7.1318   8.7349   4.6914   13.690 -15.2509   11.344   51.882   23.331   35.267   17.312 16.61539 29.05271 
1 1 1  -24   27   34 o   48.946   15.320   3.1248   8.0734   0.3164   11.829   5.5738   11.046   46.837   21.311   51.056   22.014 -4.218449 30.63979 
1 1 1  -24   27   35 o   70.906   21.030   21.299   13.344   22.995   22.025   20.315   16.773   71.730   31.007   70.083   28.419 1.647591 42.06052 
1 1 1  -24   27   36 o   81.677   22.508   34.719   13.746   46.396   23.534   28.671   16.936   86.872   34.180   76.483   29.295 10.38898 45.01611 
1 1 1  -24   27   37 o   48.389   16.404  -3.7548   12.019  -6.0833   20.015  -2.4414   15.031   49.717   24.089   47.060   22.272 2.657326 32.80787 
1 1 1  -24   28    1 o  114.541   12.675   39.382   7.5787   40.682   10.147   37.742   11.397  118.331   15.870  110.752   19.769 7.579536 25.35090 
1 1 1  -24   28    2 o   82.026   14.986   21.968   7.2331   31.259   9.8628   11.157   10.640  101.214   18.723   62.839   23.405 38.37548 29.97250 
1 1 1  -24   28    3 o  115.748   18.337   39.839   11.469   0.0000   0.0000   39.839   11.469  ?   ?   115.748   18.337      ?      ? 
1 1 1  -24   28    4 o   57.483   15.558   7.7119   7.1736   13.195   9.6484   0.9336   10.727   65.739   22.535   49.226   21.457 16.51287 31.11684 
1 1 1  -24   28    5 o   60.825   16.263   9.4347   7.3107   6.2676   9.5958   13.816   11.286   54.105   21.651   67.544   24.274 -13.43878 32.52667 
1 1 1  -24   28    6 o   64.811   16.052   12.526   7.1766   16.349   9.6424   7.7774   10.745   71.777   22.411   57.844   22.988 13.93285 32.10490 
1 1 1  -24   28    7 o   62.002   16.332   10.793   7.3279   11.636   9.8908   9.7659   10.911   63.076   22.718   60.928   23.469 2.148178 32.66344 
1 1 1  -24   28    8 o   52.196   15.343   3.4263   7.2386  -0.6263   9.7551   8.3917   10.798   45.594   20.147   58.797   23.146 -13.20240 30.68633 
1 1 1  -24   28    9 o  116.354   18.473   40.291   11.615   0.0000   0.0000   40.291   11.615  ?   ?   116.354   18.473      ?      ? 
1 1 1  -24   28   10 o   79.908   13.870   17.135   7.4331   0.9055   9.9848   37.311   11.133   47.792   20.768  112.023   18.391 -64.23032 27.74055 
1 1 1  -24   28   11 o   70.863   16.543   15.735   7.3369   14.228   9.9042   17.568   10.922   67.760   22.834   73.967   23.944 -6.206642 33.08627 
1 1 1  -24   28   12 o   59.983   15.742   9.5120   7.0465   13.988   9.7691   4.6573   10.174   67.237   22.678   52.730   21.839 14.50661 31.48358 
1 1 1  -24   28   13 o   51.157   15.038   3.8511   6.9851   6.8760   9.2751  -0.1125   10.617   54.496   21.452   47.818   21.080 6.678131 30.07579 
1 1 1  -24   28   14 o   83.353   16.151   22.707   7.5764   18.892   10.833   26.359   10.600   76.078   23.754   90.629   21.891 -14.55150 32.30299 
1 1 1  -24   28   15 f   69.893   16.705   15.505   7.6535   19.332   10.694   11.486   10.958   76.683   23.546   63.104   23.704 13.57962 33.41092 
1 1 1  -24   28   16 o  109.283   13.538   36.636   7.8125   39.548   11.171   33.848   10.930  114.821   18.004  103.746   20.224 11.07498 27.07695 
1 1 1  -24   28   17 o  125.314   11.958   46.750   8.0562   41.742   11.383   51.777   11.404  117.916   17.864  132.712   15.902 -14.79608 23.91651 
1 1 1  -24   28   18 o   60.176   15.995   9.3427   7.4974   2.5027   10.688   15.968   10.519   50.292   21.670   70.059   23.533 -19.76740 31.99069 
1 1 1  -24   28   19 o   92.734   15.833   28.326   7.9311   22.747   11.197   33.944   11.235   82.272   23.820  103.196   20.866 -20.92345 31.66626 
1 1 1  -24   28   20 o   49.586   14.386   0.0920   7.2603   11.951   9.8853 -13.7966   10.698   62.590   22.686   36.582   17.698 26.00835 28.77261 
1 1 1  -24   28   21 o  102.851   15.081   34.664   8.0965   30.920   11.736   38.064   11.184   95.992   22.938  109.711   19.584 -13.71957 30.16132 
1 1 1  -24   28   22 o   57.758   15.812   7.6878   7.7633   16.650   10.796  -1.9090   11.172   69.751   23.838   45.765   20.780 23.98596 31.62371 
1 1 1  -24   28   23 o  165.297   15.235   81.529   13.608   81.529   13.608   0.0000   0.0000  165.297   15.235  ?   ?       ?      ? 
1 1 1  -24   28   24 o   65.016   17.943   13.186   8.8704   11.942   11.159   15.322   14.621   62.033   23.775   68.000   26.881 -5.967670 35.88632 
1 1 1  -24   28   25 o   58.765   17.794   5.5551   10.476  -2.8649   15.039   13.493   14.602   51.317   23.603   66.214   26.633 -14.89718 35.58718 
1 1 1  -24   28   26 o   60.794   26.207   7.4189   15.648   0.0000   0.0000   7.4189   15.648  ?   ?    60.794   26.207      ?      ? 
1 1 1  -24   28   27 o   61.457   19.027   6.4185   11.863   3.2883   15.460   10.901   18.500   56.811   25.220   66.103   28.496 -9.291992 38.05378 
1 1 1  -24   28   28 o   72.050   26.597   18.928   13.679   18.928   13.679   0.0000   0.0000   72.050   26.597  ?   ?       ?      ? 
1 1 1  -24   28   29 o   64.948   16.807   8.5740   9.2451   33.063   14.466  -8.3360   12.020   89.079   27.390   40.817   19.487 48.26168 33.61494 
1 1 1  -24   28   30 o   53.088   16.211   7.4476   8.4951   8.4494   12.208   6.5070   11.829   54.269   23.267   51.908   22.580 2.361534 32.42288 
1 1 1  -24   28   31 o   40.426   13.577 -10.0703   8.2306 -19.6761   11.438   0.2465   11.853   33.842   16.757   47.010   21.368 -13.16812 27.15458 
1 1 1  -24   28   32 o   83.019   16.936   26.758   8.5972   17.125   12.654   35.017   11.717   66.959   25.400   99.079   22.409 -32.11996 33.87189 
1 1 1  -24   28   33 o   51.485   17.315  -2.2517   13.221 -13.9842   22.958   3.5698   16.172   50.075   24.591   52.895   24.383 -2.819736 34.63048 
1 1 1  -24   28   34 o   68.371   21.276   23.969   14.442   34.775   25.524   18.881   17.516   72.631   32.316   64.111   27.682 8.519997 42.55178 
1 1 1  -24   29    1 o   77.432   12.536   12.003   7.1273  -7.4093   9.1887   41.321   11.293   37.510   17.649  117.353   17.808 -79.84313 25.07171 
1 1 1  -24   29    2 o   71.163   16.599   16.105   7.3389   13.561   9.5741   19.731   11.428   65.622   22.449   76.704   24.457 -11.08145 33.19755 
1 1 1  -24   29    3 o   49.024   14.854   1.0158   7.2245  -4.3518   9.8153   7.3618   10.672   41.595   19.108   56.453   22.747 -14.85760 29.70824 
1 1 1  -24   29    4 o  153.622   9.9225   68.188   8.2122   68.980   11.241   67.282   12.027  154.999   13.421  152.245   14.619 2.754440 19.84505 
1 1 1  -24   29    5 f   92.872   15.822   27.890   7.8118   24.948   10.408   31.685   11.821   87.415   22.040   98.329   22.707 -10.91360 31.64404 
1 1 1  -24   29    6 o  199.058   8.8096  113.139   9.4064  129.455   13.404   97.307   13.204  213.921   11.596  184.194   13.266 29.72688 17.61922 
1 1 1  -24   29    7 o  145.443   10.909   61.926   8.5297   61.965   11.521   61.878   12.689  146.081   14.596  144.804   16.216 1.277100 21.81718 
1 1 1  -24   29    8 o  141.733   11.100   58.918   8.4962   57.319   11.772   60.658   12.275  139.810   15.582  143.656   15.812 -3.846436 22.19977 
1 1 1  -24   29    9 o  140.052   16.769   58.234   12.690   0.0000   0.0000   58.234   12.690  ?   ?   140.052   16.769      ?      ? 
1 1 1  -24   29   10 o   88.885   15.983   26.049   7.7666   21.595   10.906   30.633   11.063   80.363   23.577   97.408   21.586 -17.04478 31.96614 
1 1 1  -24   29   11 o   82.940   16.536   23.189   7.9831   29.084   11.061   16.782   11.533   94.450   22.070   71.430   24.630 23.02002 33.07142 
1 1 1  -24   29   12 o   59.552   15.867   8.7640   7.5441   16.393   10.490   0.5921   10.857   70.694   23.497   48.409   21.330 22.28494 31.73392 
1 1 1  -24   29   13 o  109.562   14.127   38.306   8.0058   48.194   11.216   28.038   11.430  127.474   16.283   91.650   23.091 35.82317 28.25470 
1 1 1  -24   29   14 o   60.043   16.239   9.6447   7.6876   15.366   10.765   3.6912   10.982   68.377   23.783   51.710   22.116 16.66677 32.47739 
1 1 1  -24   29   15 o   82.183   15.913   23.413   7.7652   31.479   10.588   14.026   11.422   98.547   20.549   65.820   24.303 32.72694 31.82626 
1 1 1  -24   29   16 o   44.984   14.200  -3.2963   7.5849   5.8582   10.397 -13.7120   11.090   52.918   22.010   37.050   17.947 15.86793 28.39964 
1 1 1  -24   29   17 o  133.287   11.797   53.979   8.4947   52.417   11.948   55.576   12.080  131.185   16.855  135.389   16.511 -4.204208 23.59475 
1 1 1  -24   29   18 o   41.532   13.729  -6.2633   7.6434  -8.7545   10.486  -3.4398   11.164   38.809   18.435   44.255   20.348 -5.446171 27.45757 
1 1 1  -24   29   19 o   60.391   17.017   9.8031   8.9539   15.858   11.279  -0.5128   14.723   68.325   24.297   52.457   23.832 15.86790 34.03396 
1 1 1  -24   29   20 o  164.496   12.851   83.169   11.380   82.387   15.436   84.099   16.843  164.525   17.363  164.467   18.952 0.5830383E-01 25.70299 
1 1 1  -24   29   21 o   47.745   15.646  -5.5821   9.7427  -0.4484   13.346 -11.4392   14.255   50.871   22.941   44.619   21.280 6.252224 31.29108 
1 1 1  -24   29   22 o   81.177   19.707   23.658   10.632   16.919   14.372   31.802   15.799   70.740   27.013   91.615   28.701 -20.87513 39.41332 
1 1 1  -24   29   23 o   43.342   14.708 -12.2894   9.6954 -12.7725   12.495 -11.5586   15.370   40.484   19.470   46.199   22.050 -5.714798 29.41610 
1 1 1  -24   29   24 f   75.179   19.561   21.752   10.486   24.257   14.951   19.327   14.712   78.514   27.967   71.843   27.355 6.670959 39.12101 
1 1 1  -24   29   25 o   53.956   16.467   6.9944   8.8871   1.9387   14.375   10.122   11.307   51.190   23.369   56.723   23.207 -5.532806 32.93464 
1 1 1  -24   29   26 o   35.095   12.196 -16.7549   7.9900 -24.5673   11.083  -8.2993   11.530   30.797   15.442   39.393   18.882 -8.595909 24.39191 
1 1 1  -24   29   27 o   67.303   18.295   18.674   10.407  -0.2572   22.387   23.893   11.754   56.617   26.907   77.988   24.797 -21.37103 36.59052 
1 1 1  -24   29   28 o   62.798   16.232   12.599   8.4744   23.270   11.187  -1.7719   12.982   78.453   24.081   47.144   21.772 31.30844 32.46412 
1 1 1  -24   29   29 o   78.273   18.536   27.673   10.322   33.093   12.266   14.523   19.106   93.095   24.170   63.451   28.108 29.64431 37.07129 
1 1 1  -24   29   30 o   48.490   15.224  -0.9180   8.6580   14.305   12.721 -14.0555   11.817   60.554   24.677   36.426   17.837 24.12838 30.44856 
1 1 1  -24   30    1 o   51.531   15.551   4.4972   7.6015   5.2801   9.9549   3.4024   11.772   51.384   21.468   51.678   22.503 -0.2942619 31.10135 
1 1 1  -24   30    2 o   52.583   15.501   5.2315   7.5630   9.6315   10.217  -0.1020   11.249   57.789   22.585   47.376   21.239 10.41288 31.00258 
1 1 1  -24   30    3 o   57.574   15.983   9.3905   7.3444   11.540   9.9033   6.7636   10.948   60.618   22.580   54.530   22.626 6.087406 31.96544 
1 1 1  -24   30    4 o   75.474   16.953   19.761   7.7271   17.186   10.228   23.185   11.794   70.577   23.189   80.371   24.735 -9.793831 33.90527 
1 1 1  -24   30    5 o   57.879   16.349   9.2149   7.7028   8.0170   10.439   10.646   11.412   55.644   22.471   60.114   23.754 -4.469833 32.69863 
1 1 1  -24   30    6 o   60.184   16.277   11.049   7.5096   13.627   10.020   7.7458   11.343   64.185   22.892   56.183   23.145 8.002243 32.55340 
1 1 1  -24   30    7 o  122.482   13.396   48.062   8.4291   54.889   11.485   40.091   12.410  135.222   15.718  109.741   21.696 25.48121 26.79119 
1 1 1  -24   30    8 o   68.256   16.189   14.023   7.7458   4.4652   10.424   25.809   11.575   51.032   21.679   85.480   24.048 -34.44836 32.37783 
1 1 1  -24   30    9 o   54.176   15.910   6.4285   7.6980   8.1196   10.750   4.6488   11.028   56.201   22.766   52.150   22.230 4.051144 31.81903 
1 1 1  -24   30   10 o   43.049   13.980  -6.7741   7.9284   3.1722   10.862 -18.1153   11.599   50.316   21.763   35.782   17.553 14.53433 27.95924 
1 1 1  -24   30   11 o   65.749   17.504   11.271   8.7104   3.3210   11.082   24.122   14.089   50.894   21.997   80.604   27.234 -29.71021 35.00793 
1 1 1  -24   30   12 o   89.506   17.165   30.193   9.2677   38.664   11.781   16.439   15.011  109.124   20.737   69.889   27.359 39.23537 34.32959 
1 1 1  -24   30   13 o   47.874   15.633  -6.2857   9.4418 -13.2815   12.439   3.2252   14.503   40.176   19.348   55.571   24.560 -15.39461 31.26582 
1 1 1  -24   30   14 o   39.476   13.665 -19.2210   9.6277 -16.9820   12.472 -22.5225   15.145   38.284   18.655   40.669   19.972 -2.385414 27.32949 
1 1 1  -24   30   15 o   97.738   16.839   34.220   10.078   50.653   13.737   15.065   14.831  126.956   20.024   68.519   27.078 58.43755 33.67704 
1 1 1  -24   30   16 o   76.357   19.206   20.297   9.9700   15.633   13.192   26.509   15.224   68.681   25.963   84.033   28.310 -15.35128 38.41277 
1 1 1  -24   30   17 o   62.290   17.857   10.192   9.7628   16.698   13.376   2.7748   14.282   69.847   26.198   54.734   24.272 15.11271 35.71373 
1 1 1  -24   30   18 o   72.266   17.570   17.010   10.053   31.577   13.446  -1.4552   15.139   92.685   25.865   51.847   23.786 40.83715 35.13913 
1 1 1  -24   30   19 o   69.788   18.533   18.530   9.4270   19.509   11.755   16.766   15.781   72.103   24.865   67.472   27.489 4.631721 37.06660 
1 1 1  -24   30   20 o   61.569   16.435   8.6159   8.8099   27.815   13.267  -6.5287   11.783   81.801   26.380   41.338   19.609 40.46203 32.86951 
1 1 1  -24   30   21 o   47.459   14.989   1.0194   8.1682  -6.8000   11.445   9.1375   11.661   40.207   19.145   54.711   23.069 -14.50443 29.97876 
1 1 1  -24   30   22 o  144.111   11.162   64.552   8.6357   55.561   11.763   75.063   12.718  132.473   16.433  155.748   15.112 -23.27449 22.32482 
1 1 1  -24   30   23 o   53.277   16.175   6.2819   8.4103   9.1112   12.030   3.5771   11.762   56.417   23.588   50.138   22.140 6.279007 32.35093 
1 1 1  -24   30   24 o   57.608   16.742   10.226   8.3728   10.746   11.802   9.6997   11.880   58.241   23.756   56.975   23.598 1.266083 33.48427 
1 1 1  -24   30   25 o   64.459   16.851   15.986   7.9980   19.538   10.778   11.633   11.931   70.644   23.820   58.275   23.840 12.36903 33.70113 
1 1 1  -24   30   26 o  114.377   15.313   47.692   9.1714   57.539   13.051   38.086   12.891  130.720   18.476   98.034   24.424 32.68651 30.62534 
1 1 1  -24   31    1 o   60.774   16.445   8.9614   8.9188   20.056   11.529  -7.5721   14.074   75.214   24.615   46.335   21.813 28.87889 32.88982 
1 1 1  -24   31    2 o   59.994   17.275   9.4727   9.1336   14.079   11.738   2.4054   14.540   65.466   24.545   54.521   24.315 10.94482 34.54959 
1 1 1  -24   31    3 o  103.780   17.414   37.501   9.5311   35.946   12.527   39.640   14.688  102.643   23.138  104.916   26.032 -2.272728 34.82874 
1 1 1  -24   31    4 o   54.012   16.713   3.8391   9.2316   5.2950   11.959   1.6926   14.521   54.140   23.116   53.884   24.145 0.2559853 33.42658 
1 1 1  -24   31    5 o   46.367   14.897  -6.1429   9.0978   5.9707   11.550 -25.9459   14.768   54.359   22.942   38.376   19.009 15.98329 29.79358 
1 1 1  -24   31    6 o   58.607   16.806   8.3951   8.8968   15.063   11.559  -1.2953   13.935   66.721   24.479   50.494   23.035 16.22735 33.61265 
1 1 1  -24   31    7 o   45.839   15.134  -5.1979   8.8831  -6.0991   11.163  -3.6419   14.668   42.022   19.669   49.656   23.006 -7.634052 30.26824 
1 1 1  -24   31    8 o   89.912   18.836   30.044   9.6765   27.095   12.562   34.347   15.175   85.766   25.344   94.057   27.871 -8.291016 37.67131 
1 1 1  -24   31    9 o   63.618   18.000   13.317   9.3821   14.608   12.228   11.468   14.629   65.110   24.903   62.126   25.996 2.983875 35.99983 
1 1 1  -24   31   10 f   73.853   19.099   21.596   9.8980   21.601   13.005   21.588   15.260   74.494   26.128   73.213   27.863 1.280281 38.19714 
1 1 1  -24   31   11 o   60.823   17.822   12.151   9.5041   10.644   12.572   14.162   14.520   58.457   24.249   63.189   26.123 -4.731564 35.64328 
1 1 1  -24   31   12 o   39.073   13.386 -12.8808   8.7830 -19.4279   12.330  -6.1374   12.514   35.390   17.501   42.756   20.260 -7.365417 26.77262 
1 1 1  -24   31   13 o   72.229   17.856   20.925   8.8257   28.874   13.105   14.328   11.939   82.901   26.164   61.558   24.305 21.34282 35.71139 
1 1 1  -24   31   14 o   61.962   16.603   12.353   8.3183   2.3799   11.173   24.757   12.460   47.086   21.134   76.838   25.611 -29.75182 33.20502 
1 1 1  -24   31   15 o   49.076   15.278   3.6627   8.0828   7.9279   10.713  -1.9746   12.316   52.971   22.211   45.180   20.984 7.790707 30.55615 
1 1 1  -24   31   16 o   59.820   16.491   11.407   7.9083   5.6699   10.703   18.305   11.736   50.897   21.803   68.744   24.747 -17.84673 32.98192 
1 1 1  -24   31   17 o   58.169   16.176   10.187   7.9721   16.857   10.873   2.4317   11.724   67.338   23.865   49.000   21.844 18.33870 32.35266 
1 1 1  -24   31   18 o   34.634   11.963 -13.6847   7.3085 -11.2748   9.4655 -17.2421   11.501   34.125   16.542   35.143   17.287 -1.018410 23.92673 
1 1 1  -24   31   19 o   54.024   16.027   7.8526   8.0150   10.958   11.019   4.3639   11.679   57.669   23.158   50.379   22.163 7.289814 32.05388 
1 1 1  -24   31   20 o   61.786   16.345   12.389   8.0871   2.3911   10.993   24.184   11.939   46.882   21.008   76.691   25.047 -29.80870 32.69090 
1 1 1  -24   31   21 o   56.651   16.153   11.479   7.6569   12.870   10.348   9.7964   11.383   58.638   22.781   54.663   22.907 3.974461 32.30615 
1 1 1  -24   31   22 o   70.347   15.657   16.464   8.2588   0.0785   11.113   36.677   12.343   44.237   20.326   96.457   23.822 -52.21978 31.31474 
1 1 1  -24   32    1 o   79.721   24.942   24.578   11.937   0.0000   0.0000   24.578   11.937  ?   ?    79.721   24.942      ?      ? 
1 1 1  -24   32    2 o   57.278   16.130   6.9311   8.0538  -2.5414   10.542   20.208   12.481   42.706   19.687   71.850   25.557 -29.14453 32.26049 
1 1 1  -24   32    3 o   99.141   15.077   33.018   8.4038   16.595   11.044   55.607   12.952   66.859   24.013  131.424   18.238 -64.56468 30.15425 
1 1 1  -24   32    4 o   39.291   13.172  -8.8573   7.5184 -15.4600   10.140  -0.7940   11.205   33.263   16.336   45.319   20.667 -12.05660 26.34394 
1 1 1  -24   32    5 o   63.719   16.824   14.637   7.9357   17.551   10.719   11.103   11.805   68.629   23.740   58.810   23.845 9.818878 33.64715 
1 1 1  -24   32    6 o   90.988   15.045   31.116   8.2677   45.341   11.138   13.658   12.339  119.671   17.223   62.304   24.674 57.36700 30.09075 
1 1 1  -24   32    7 o   67.704   17.079   16.041   8.1826   9.0198   10.883   25.172   12.411   55.477   22.741   79.931   25.487 -24.45449 34.15735 
1 1 1  -24   32    8 o   42.948   14.085  -3.2662   7.7356  -5.1729   10.340  -0.8427   11.657   40.087   18.816   45.810   20.963 -5.723557 28.16947 
1 1 1  -24   32    9 o   57.343   15.682   8.0646   7.5309  -1.1220   9.9884   20.166   11.464   42.741   19.500   71.946   24.565 -29.20546 31.36355 
1 1 1  -24   32   10 f   52.757   15.653   6.3574   8.0481   13.209   10.848  -2.0302   12.003   60.589   23.384   44.924   20.813 15.66432 31.30518 
1 1 1  -24   32   11 o   55.815   16.133   9.3920   8.1365   15.389   11.080   2.3726   11.987   63.370   23.829   48.260   21.755 15.11042 32.26630 
1 1 1  -24   32   12 o   62.530   15.484   12.240   8.3018   26.955   11.108  -6.3775   12.495   83.017   23.629   42.043   20.015 40.97435 30.96708 
1 1 1  -24   32   13 o   72.405   17.579   21.967   8.2918   21.500   11.283   22.516   12.227   72.195   24.372   72.615   25.341 -0.4199829 35.15892 
1 1 1  -24   32   14 o   50.691   15.591   4.9779   8.1177  -1.2940   10.846   12.965   12.240   42.813   19.817   58.568   24.075 -15.75528 31.18223 
1 1 1  -24   32   15 o   52.067   15.390   5.4930   8.3866   16.734   11.083  -9.5647   12.828   63.949   23.875   40.185   19.426 23.76435 30.77923 
1 1 1  -23    0    1 o  427.359   8.1793  494.820   26.668  494.820   26.668  494.820   26.668  427.359   11.567  427.359   11.567 0.000000 0.000000 
1 1 1  -23    0    2 o  632.315   7.9234  1081.85   38.259  1081.85   38.259  1081.85   38.259  632.315   11.205  632.315   11.205 0.000000 0.000000 
1 1 1  -23    0    3 o  997.201   17.070  2698.20  129.911  2698.20  129.911  2698.20  129.911  997.201   24.141  997.201   24.141 0.000000 0.000000 
1 1 1  -23    0    7 o   90.836   7.2167   23.135   4.8470   23.135   4.8470   23.135   4.8470   90.836   10.206   90.836   10.206 0.000000 0.000000 
1 1 1  -23    0    8 o  127.046   5.6357   44.134   5.4222   44.134   5.4222   44.134   5.4222  127.046   7.9700  127.046   7.9700 0.000000 0.000000 
1 1 1  -23    0    9 o  140.288   5.2519   53.633   5.5944   53.633   5.5944   53.633   5.5944  140.288   7.4273  140.288   7.4273 0.000000 0.000000 
1 1 1  -23    0   10 o   37.010   13.337   5.4277   4.7440   5.4277   4.7440   5.4277   4.7440   37.010   18.861   37.010   18.861 0.000000 0.000000 
1 1 1  -23    0   11 o  1042.70   12.573  2944.13  100.123  2944.13  100.123  2944.13  100.123  1042.70   17.782  1042.70   17.782 0.000000 0.000000 
1 1 1  -23    0   12 o  472.534   6.3307  604.151   22.842  604.151   22.842  604.151   22.842  472.534   8.9529  472.534   8.9529 0.000000 0.000000 
1 1 1  -23    0   13 o  634.491   8.0015  1089.35   38.769  1089.35   38.769  1089.35   38.769  634.491   11.316  634.491   11.316 0.000000 0.000000 
1 1 1  -23    0   14 o  1074.49   12.945  3126.78  106.223  3126.78  106.223  3126.78  106.223  1074.49   18.307  1074.49   18.307 0.000000 0.000000 
1 1 1  -23    0   15 o  378.956   5.5817  388.619   16.148  388.619   16.148  388.619   16.148  378.956   7.8937  378.956   7.8937 0.000000 0.000000 
1 1 1  -23    0   16 o  331.131   5.2815  296.781   13.349  296.781   13.349  296.781   13.349  331.131   7.4691  331.131   7.4691 0.000000 0.000000 
1 1 1  -23    0   17 o  1014.57   12.265  2787.82   95.030  2787.82   95.030  2787.82   95.030  1014.57   17.345  1014.57   17.345 0.000000 0.000000 
1 1 1  -23    0   18 o  417.817   5.9400  472.413   18.949  472.413   18.949  472.413   18.949  417.817   8.4004  417.817   8.4004 0.000000 0.000000 
1 1 1  -23    0   19 o  383.187   5.7232  397.398   16.742  397.398   16.742  397.398   16.742  383.187   8.0939  383.187   8.0939 0.000000 0.000000 
1 1 1  -23    0   20 o  794.809   9.8092  1710.35   59.539  1710.35   59.539  1710.35   59.539  794.809   13.872  794.809   13.872 0.000000 0.000000 
1 1 1  -23    0   21 o  765.174   9.4973  1585.08   55.496  1585.08   55.496  1585.08   55.496  765.174   13.431  765.174   13.431 0.000000 0.000000 
1 1 1  -23    0   22 o  236.591   5.6466  151.809   10.183  151.809   10.183  151.809   10.183  236.591   7.9856  236.591   7.9856 0.000000 0.000000 
1 1 1  -23    0   23 o  442.346   6.3635  529.586   21.491  529.586   21.491  529.586   21.491  442.346   8.9993  442.346   8.9993 0.000000 0.000000 
1 1 1  -23    0   24 o  747.306   9.3513  1512.06   53.366  1512.06   53.366  1512.06   53.366  747.306   13.225  747.306   13.225 0.000000 0.000000 
1 1 1  -23    0   25 o  944.854   11.547  2418.64   83.322  2418.64   83.322  2418.64   83.322  944.854   16.331  944.854   16.331 0.000000 0.000000 
1 1 1  -23    0   26 o  224.935   6.5844  137.484   11.274  137.484   11.274  137.484   11.274  224.935   9.3118  224.935   9.3118 0.000000 0.000000 
1 1 1  -23    0   27 o  320.268   6.1746  277.908   15.087  277.908   15.087  277.908   15.087  320.268   8.7322  320.268   8.7322 0.000000 0.000000 
1 1 1  -23    0   28 o  707.175   8.9670  1354.39   48.424  1354.39   48.424  1354.39   48.424  707.175   12.681  707.175   12.681 0.000000 0.000000 
1 1 1  -23    0   29 o  103.288   12.485   31.300   8.9899   31.300   8.9899   31.300   8.9899  103.288   17.656  103.288   17.656 0.000000 0.000000 
1 1 1  -23    0   30 o   64.407   17.661   15.377   8.2699   15.377   8.2699   15.377   8.2699   64.407   24.977   64.407   24.977 0.000000 0.000000 
1 1 1  -23    0   31 o  228.857   6.4011  142.305   11.155  142.305   11.155  142.305   11.155  228.857   9.0525  228.857   9.0525 0.000000 0.000000 
1 1 1  -23    0   32 o  868.946   10.724  2048.04   71.162  2048.04   71.162  2048.04   71.162  868.946   15.166  868.946   15.166 0.000000 0.000000 
1 1 1  -23    0   33 o  918.276   11.276  2288.29   79.075  2288.29   79.075  2288.29   79.075  918.276   15.947  918.276   15.947 0.000000 0.000000 
1 1 1  -23    0   36 o  192.199   9.2847  101.532   13.491  101.532   13.491  101.532   13.491  192.199   13.131  192.199   13.131 0.000000 0.000000 
1 1 1  -23    0   37 o  395.729   6.0728  424.391   18.345  424.391   18.345  424.391   18.345  395.729   8.5883  395.729   8.5883 0.000000 0.000000 
1 1 1  -23    0   38 o  204.498   6.3006  113.849   9.8038  113.849   9.8038  113.849   9.8038  204.498   8.9104  204.498   8.9104 0.000000 0.000000 
1 1 1  -23    0   39 o  347.857   5.8174  328.111   15.445  328.111   15.445  328.111   15.445  347.857   8.2270  347.857   8.2270 0.000000 0.000000 
1 1 1  -23    0   40 o  182.459   6.3696   90.835   8.8321   90.835   8.8321   90.835   8.8321  182.459   9.0080  182.459   9.0080 0.000000 0.000000 
1 1 1  -23    0   41 o  199.051   6.3367  107.980   9.5945  107.980   9.5945  107.980   9.5945  199.051   8.9614  199.051   8.9614 0.000000 0.000000 
1 1 1  -23    0   42 o  108.217   9.8776   33.401   7.7941   33.401   7.7941   33.401   7.7941  108.217   13.969  108.217   13.969 0.000000 0.000000 
1 1 1  -23    0   43 o  245.565   5.6516  163.900   10.580  163.900   10.580  163.900   10.580  245.565   7.9925  245.565   7.9925 0.000000 0.000000 
1 1 1  -23    0   44 o  144.333   7.8467   57.600   8.5371   57.600   8.5371   57.600   8.5371  144.333   11.097  144.333   11.097 0.000000 0.000000 
1 1 1  -23    0   45 o  215.436   5.9581  126.430   9.7750  126.430   9.7750  126.430   9.7750  215.436   8.4260  215.436   8.4260 0.000000 0.000000 
1 1 1  -23    0   46 o   52.427   17.045   11.121   7.4851   11.121   7.4851   11.121   7.4851   52.427   24.105   52.427   24.105 0.000000 0.000000 
1 1 1  -23    0   47 o  184.265   6.3410   92.879   8.8808   92.879   8.8808   92.879   8.8808  184.265   8.9675  184.265   8.9675 0.000000 0.000000 
1 1 1  -23    0   48 o   38.878   15.699   5.5721   7.3331   5.5721   7.3331   5.5721   7.3331   38.878   22.202   38.878   22.202 0.000000 0.000000 
1 1 1  -23    0   49 o  298.121   5.6175  241.861   12.777  241.861   12.777  241.861   12.777  298.121   7.9444  298.121   7.9444 0.000000 0.000000 
1 1 1  -23    0   50 o  101.250   10.826   30.053   7.8099   30.053   7.8099   30.053   7.8099  101.250   15.310  101.250   15.310 0.000000 0.000000 
1 1 1  -23    0   51 o   40.690   15.741   6.6773   6.9940   6.6773   6.9940   6.6773   6.9940   40.690   22.261   40.690   22.261 0.000000 0.000000 
1 1 1  -23    0   52 o   20.662   10.429 -10.5595   7.3885 -10.5595   7.3885 -10.5595   7.3885   20.662   14.750   20.662   14.750 0.000000 0.000000 
1 1 1  -23    0   53 o  294.549   5.8086  236.789   13.052  236.789   13.052  236.789   13.052  294.549   8.2147  294.549   8.2147 0.000000 0.000000 
1 1 1  -23    0   54 o  331.376   5.9808  300.020   15.123  300.020   15.123  300.020   15.123  331.376   8.4581  331.376   8.4581 0.000000 0.000000 
1 1 1  -23    0   55 o  197.533   6.5199  107.374   9.7932  107.374   9.7932  107.374   9.7932  197.533   9.2205  197.533   9.2205 0.000000 0.000000 
1 1 1  -23    0   56 o   97.839   12.476   29.233   8.4268   29.233   8.4268   29.233   8.4268   97.839   17.644   97.839   17.644 0.000000 0.000000 
1 1 1  -23    0   57 o   25.680   12.420  -4.1250   7.6920  -4.1250   7.6920  -4.1250   7.6920   25.680   17.564   25.680   17.564 0.000000 0.000000 
1 1 1  -23    0   58 f   52.102   18.075   11.976   8.5531   11.976   8.5531   11.976   8.5531   52.102   25.561   52.102   25.561 0.000000 0.000000 
1 1 1  -23    0   59 o   53.176   17.843   12.531   8.2484   12.531   8.2484   12.531   8.2484   53.176   25.234   53.176   25.234 0.000000 0.000000 
1 1 1  -23    0   60 o   95.336   14.254   29.254   9.1360   29.254   9.1360   29.254   9.1360   95.336   20.158   95.336   20.158 0.000000 0.000000 
1 1 1  -23    0   63 o   24.149   12.120 -10.3789   9.4604 -10.3789   9.4604 -10.3789   9.4604   24.149   17.140   24.149   17.140 0.000000 0.000000 
1 1 1  -23    0   64 o   38.693   16.502   6.5521   8.8989   6.5521   8.8989   6.5521   8.8989   38.693   23.337   38.693   23.337 0.000000 0.000000 
1 1 1  -23    1    1 o  580.606   8.9692  918.987   26.859  935.918   33.500  888.513   44.942  588.276   10.538  572.936   14.516 15.33936 17.93844 
1 1 1  -23    1    2 o  1153.21   19.569  3605.06  121.945  3605.06  121.945   0.0000   0.0000  1153.21   19.569  ?   ?       ?      ? 
1 1 1  -23    1    3 o  613.639   10.913  1019.47   36.188  1021.17   51.312  1017.79   51.043  614.145   15.462  613.133   15.406 1.012146 21.82697 
1 1 1  -23    1    5 f  653.632   16.310  1156.98   57.606   0.0000   0.0000  1156.98   57.606  ?   ?   653.632   16.310      ?      ? 
1 1 1  -23    1    6 o  382.561   7.6789  395.842   15.874  392.568   22.478  399.099   22.419  380.981   10.919  384.141   10.800 -3.160553 15.35789 
1 1 1  -23    1    7 f  365.531   5.2913  361.138   10.451  364.776   14.877  357.593   14.684  367.348   7.4949  363.714   7.4711 3.634308 10.58252 
1 1 1  -23    1    8 o  506.497   6.6083  693.654   18.087  692.981   25.570  694.328   25.587  506.251   9.3470  506.743   9.3442 -0.4919739 13.21666 
1 1 1  -23    1    9 o  199.762   4.7629  107.852   5.1402  110.863   7.3037  104.897   7.2356  202.525   6.6738  196.999   6.7971 5.526337 9.525729 
1 1 1  -23    1   10 o  412.642   5.7243  460.212   12.762  466.089   18.239  454.576   17.863  415.221   8.1290  410.063   8.0617 5.158325 11.44868 
1 1 1  -23    1   11 o  439.179   5.9931  520.312   14.203  500.528   19.471  542.810   20.764  430.280   8.3743  448.079   8.5756 -17.79898 11.98625 
1 1 1  -23    1   12 o  917.694   11.140  2280.35   55.241  2274.70   77.939  2286.06   78.306  916.554   15.737  918.834   15.771 -2.280212 22.27957 
1 1 1  -23    1   13 o  408.166   5.7678  450.359   12.721  446.945   17.894  453.848   18.088  406.602   8.1442  409.730   8.1696 -3.127502 11.53557 
1 1 1  -23    1   14 o  521.542   6.8467  735.467   19.294  741.341   27.480  729.755   27.097  523.595   9.7124  519.490   9.6528 4.105042 13.69333 
1 1 1  -23    1   15 o  927.481   11.266  2329.10   56.454  2302.55   78.921  2356.91   80.789  922.084   15.839  932.878   16.026 -10.79407 22.53289 
1 1 1  -23    1   16 o  464.979   6.3163  584.278   15.864  595.820   22.825  573.491   22.065  469.416   8.9984  460.541   8.8664 8.874756 12.63265 
1 1 1  -23    1   17 o  356.708   5.4583  343.963   10.520  341.379   14.781  346.616   14.977  355.351   7.6977  358.065   7.7405 -2.714417 10.91651 
1 1 1  -23    1   18 o  799.727   9.8344  1731.56   42.497  1722.26   59.772  1741.07   60.433  797.560   13.869  801.894   13.947 -4.334167 19.66877 
1 1 1  -23    1   19 o  315.862   5.2979  269.706   9.0406  268.339   12.642  271.136   12.934  315.045   7.4259  316.679   7.5583 -1.633759 10.59585 
1 1 1  -23    1   20 o  511.855   6.8352  708.607   18.904  714.222   26.919  703.143   26.554  513.854   9.6946  509.856   9.6381 3.997772 13.67034 
1 1 1  -23    1   21 o  964.815   11.731  2523.35   61.160  2529.98   86.760  2516.79   86.229  966.069   16.620  963.560   16.561 2.508850 23.46238 
1 1 1  -23    1   22 o  638.512   8.1489  1103.05   28.113  1090.62   39.369  1115.99   40.158  634.846   11.476  642.178   11.572 -7.331848 16.29790 
1 1 1  -23    1   23 o  651.376   8.2937  1148.29   29.192  1144.56   41.146  1152.08   41.422  650.311   11.709  652.440   11.749 -2.129639 16.58747 
1 1 1  -23    1   24 f  343.341   5.8043  318.185   10.757  332.355   15.653  305.503   14.809  350.569   8.2631  336.113   8.1535 14.45590 11.60852 
1 1 1  -23    1   25 o  590.271   7.7551  942.558   24.728  957.462   35.498  928.507   34.467  594.795   11.045  585.746   10.889 9.049072 15.51011 
1 1 1  -23    1   26 f  231.264   9.4719  144.681   11.837   0.0000   0.0000  144.681   11.837  ?   ?   231.264   9.4719      ?      ? 
1 1 1  -23    1   27 o  149.058   9.1265   59.670   7.3158   55.016   9.7792   65.584   11.025  142.521   12.698  155.595   13.112 -13.07446 18.25307 
1 1 1  -23    1   28 o  220.425   9.4691  131.483   11.279  131.483   11.279   0.0000   0.0000  220.425   9.4691  ?   ?       ?      ? 
1 1 1  -23    1   29 o  352.872   6.0509  335.664   11.510  320.357   15.629  353.804   17.014  344.121   8.4047  361.622   8.7070 -17.50131 12.10173 
1 1 1  -23    1   30 o  262.457   6.0211  186.205   8.5354  193.211   12.280  179.657   11.872  267.229   8.5041  257.684   8.5261 9.544312 12.04217 
1 1 1  -23    1   31 f  548.339   7.3466  814.409   21.768  816.429   30.933  812.429   30.637  549.007   10.427  547.670   10.352 1.336914 14.69328 
1 1 1  -23    1   32 o  199.253   6.6955  107.771   7.1848  117.771   10.151   97.733   10.171  208.559   9.0071  189.947   9.9092 18.61168 13.39098 
1 1 1  -23    1   33 o  561.155   7.4864  853.441   22.701  850.232   32.162  856.626   32.045  560.097   10.627  562.212   10.548 -2.115112 14.97284 
1 1 1  -23    1   36 o  417.003   8.9843  472.854   20.245  475.676   28.660  470.045   28.600  418.250   12.681  415.757   12.730 2.493134 17.96869 
1 1 1  -23    1   37 o  116.602   9.3458   37.067   5.8757   34.219   8.3031   39.924   8.3158  112.075   13.710  121.129   12.705 -9.053978 18.69167 
1 1 1  -23    1   38 o  167.762   6.8983   76.448   6.2452   81.194   8.8509   71.743   8.8134  172.972   9.4694  162.551   10.034 10.42183 13.79661 
1 1 1  -23    1   39 f  337.216   5.7708  308.307   10.511  311.937   15.119  304.911   14.624  339.122   8.2503  335.310   8.0709 3.812958 11.54158 
1 1 1  -23    1   40 o  165.551   6.8232   74.555   6.0817   82.856   8.6850   66.568   8.5190  174.645   9.2029  156.457   10.076 18.18779 13.64645 
1 1 1  -23    1   41 o  258.231   5.7399  180.952   8.0093  180.943   11.292  180.960   11.363  258.228   8.0921  258.234   8.1428 -0.5828857E-02 11.47989 
1 1 1  -23    1   42 f  249.497   5.7596  168.997   7.7623  162.708   10.894  175.482   11.062  244.769   8.2368  254.225   8.0528 -9.455414 11.51925 
1 1 1  -23    1   43 f  203.291   6.1381  112.400   6.7424  110.729   9.5048  114.093   9.5658  201.764   8.7179  204.818   8.6430 -3.053314 12.27610 
1 1 1  -23    1   44 o  183.643   6.4474   91.730   6.3910   94.223   9.3021   89.501   8.7957  185.980   9.2561  181.305   8.9779 4.675644 12.89484 
1 1 1  -23    1   45 o  107.566   9.9623   32.721   5.4501   42.898   7.8201   23.110   7.5998  125.141   11.564   89.993   16.225 35.14797 19.92461 
1 1 1  -23    1   46 o  257.594   5.5566  180.446   7.7311  173.878   10.763  187.448   11.112  252.750   7.8805  262.438   7.8360 -9.688202 11.11323 
1 1 1  -23    1   47 o  144.355   7.4122   57.575   5.6835   45.094   7.9587   70.564   8.1191  128.049   11.502  160.660   9.3522 -32.61037 14.82437 
1 1 1  -23    1   48 o  268.470   5.6994  196.618   8.2660  192.113   11.716  201.083   11.665  265.372   8.1700  271.567   7.9488 -6.194611 11.39876 
1 1 1  -23    1   49 o   52.525   13.552   6.5760   5.0598   4.5552   7.1319   8.6239   7.1797   48.456   18.888   56.594   19.438 -8.137810 27.10326 
1 1 1  -23    1   50 o   61.411   13.891   10.793   5.2365   12.435   7.4924   9.2243   7.3216   65.014   19.657   57.807   19.632 7.206795 27.78153 
1 1 1  -23    1   51 o  141.176   7.6812   55.144   5.8304   55.460   7.8779   54.762   8.6696  141.791   10.282  140.561   11.414 1.230225 15.36237 
1 1 1  -23    1   52 o  211.996   8.6248  123.430   9.8802   0.0000   0.0000  123.430   9.8802  ?   ?   211.996   8.6248      ?      ? 
1 1 1  -23    1   53 o  120.499   9.0776   40.873   5.8856   44.571   8.2646   37.067   8.3837  126.294   12.110  114.703   13.526 11.59105 18.15514 
1 1 1  -23    1   54 f   61.476   14.000   11.193   5.3385   13.217   7.5349   9.1524   7.5648   65.887   19.666   57.065   19.932 8.822357 28.00073 
1 1 1  -23    1   55 o  191.972   6.4254  101.923   6.6648  100.255   9.4183  103.597   9.4326  190.365   9.1558  193.580   9.0174 -3.215027 12.85081 
1 1 1  -23    1   56 o  123.840   9.2490   43.705   6.1628   47.087   8.5976   40.131   8.8384  129.124   12.322  118.556   13.796 10.56821 18.49796 
1 1 1  -23    1   57 o  131.627   8.4454   48.896   5.9888   54.230   8.6396   43.962   8.3090  138.728   11.525  124.527   12.348 14.20149 16.89086 
1 1 1  -23    1   58 o  197.060   6.8554  108.334   7.2914  101.413   10.194  115.582   10.433  190.482   9.9042  203.638   9.4811 -13.15607 13.71073 
1 1 1  -23    1   59 o  152.007   8.2586   66.148   6.7703   70.063   9.5211   62.144   9.6290  156.877   11.232  147.137   12.111 9.740204 16.51726 
1 1 1  -23    1   60 o  138.629   9.0247   55.528   6.7336   61.782   9.6364   49.561   9.4131  146.674   12.158  130.583   13.340 16.09091 18.04948 
1 1 1  -23    1   63 o   62.157   15.389   13.227   6.4650   17.025   9.4672   9.9086   8.8496   68.617   22.299   55.697   21.214 12.91962 30.77736 
1 1 1  -23    1   64 o   73.921   15.143   20.570   6.4140   18.641   8.9115   22.643   9.2389   70.071   21.490   77.772   21.339 -7.700760 30.28545 
1 1 1  -23    2    1 o  346.663   7.1691  321.003   13.319  355.631   20.502  295.721   17.519  362.630   10.463  330.697   9.8037 31.93295 14.33828 
1 1 1  -23    2    2 o  371.476   10.533  373.198   21.143  373.198   21.143   0.0000   0.0000  371.476   10.533  ?   ?       ?      ? 
1 1 1  -23    2    3 o  182.781   6.4740   90.229   6.3829   88.716   8.7380   91.959   9.3463  181.143   8.9269  184.418   9.3789 -3.274689 12.94809 
1 1 1  -23    2    4 o  733.013   12.760  1453.77   50.543   0.0000   0.0000  1453.77   50.543  ?   ?   733.013   12.760      ?      ? 
1 1 1  -23    2    5 o  736.726   12.868  1468.82   51.171  1509.23   74.468  1432.66   70.434  746.285   18.466  727.168   17.925 19.11694 25.73534 
1 1 1  -23    2    6 o  939.639   16.124  2395.80   81.854  2421.17  117.179  2371.62  114.388  944.467   22.960  934.811   22.645 9.655884 32.24845 
1 1 1  -23    2    7 o  330.982   5.0542  295.864   9.0355  287.417   12.553  304.944   13.016  326.085   7.1242  335.879   7.1712 -9.794159 10.10844 
1 1 1  -23    2    8 o  363.581   5.3206  356.974   10.447  346.851   14.477  367.975   15.091  358.209   7.4791  368.953   7.5696 -10.74438 10.64123 
1 1 1  -23    2    9 o  302.280   4.9167  246.723   8.0267  255.191   11.585  238.904   11.132  307.264   6.9774  297.297   6.9291 9.966309 9.833465 
1 1 1  -23    2   10 o  267.640   4.7492  193.430   6.8651  200.069   9.8927  187.262   9.5348  272.066   6.7290  263.215   6.7037 8.851349 9.498358 
1 1 1  -23    2   11 o  218.754   4.7771  129.344   5.6467  130.701   7.9932  127.994   7.9782  219.899   6.7268  217.609   6.7848 2.289719 9.554262 
1 1 1  -23    2   12 o  399.392   5.6880  431.181   12.275  427.037   17.242  435.439   17.480  397.447   8.0281  401.337   8.0600 -3.890076 11.37603 
1 1 1  -23    2   13 o  786.612   9.6697  1674.36   41.097  1688.24   58.657  1660.97   57.598  789.808   13.744  783.416   13.606 6.391479 19.33942 
1 1 1  -23    2   14 o  268.804   5.0117  195.312   7.2786  199.719   10.321  190.954   10.266  271.821   7.0270  265.787   7.1478 6.033661 10.02346 
1 1 1  -23    2   15 o  578.541   7.4339  904.902   23.232  919.012   33.374  891.636   32.360  582.910   10.596  574.172   10.430 8.738159 14.86774 
1 1 1  -23    2   16 o  733.512   9.1000  1455.99   36.067  1463.98   51.332  1448.20   50.687  735.495   12.916  731.528   12.823 3.967041 18.19992 
1 1 1  -23    2   17 o  297.888   5.1728  239.853   8.3259  243.912   11.850  235.896   11.700  300.377   7.3009  295.399   7.3300 4.977692 10.34560 
1 1 1  -23    2   18 o  349.337   5.4451  329.870   10.278  335.590   14.660  324.342   14.413  352.315   7.7005  346.360   7.7007 5.954803 10.89030 
1 1 1  -23    2   19 o  538.938   7.0811  785.675   20.621  788.014   29.297  783.379   29.031  539.731   10.045  538.145   9.9832 1.585510 14.16218 
1 1 1  -23    2   20 o  504.685   6.7666  688.609   18.448  676.201   25.698  701.802   26.498  500.000   9.5114  509.370   9.6272 -9.369965 13.53329 
1 1 1  -23    2   21 o  536.805   7.0891  778.752   20.549  798.215   29.748  760.991   28.418  543.206   10.135  530.403   9.9151 12.80322 14.17818 
1 1 1  -23    2   22 o  476.520   6.5814  613.514   16.936  596.906   23.449  631.626   24.488  469.789   9.2370  483.251   9.3775 -13.46213 13.16280 
1 1 1  -23    2   23 o   99.583   10.268   26.821   5.4899   22.880   7.5805   31.168   7.9612   91.888   15.267  107.278   13.734 -15.38964 20.53505 
1 1 1  -23    2   24 o  413.934   6.2372  462.934   13.943  478.302   20.139  448.784   19.324  420.524   8.8624  407.345   8.7789 13.17859 12.47441 
1 1 1  -23    2   25 o  360.247   6.0090  350.461   11.687  338.744   16.121  363.443   16.968  353.912   8.4296  366.582   8.5658 -12.66986 12.01796 
1 1 1  -23    2   26 o  693.366   8.8120  1300.83   32.999  1274.88   45.781  1328.90   47.608  686.186   12.347  700.545   12.576 -14.35901 17.62407 
1 1 1  -23    2   27 o  347.530   6.0283  326.384   11.313  318.702   15.649  334.792   16.373  343.254   8.4371  351.805   8.6126 -8.550140 12.05661 
1 1 1  -23    2   28 o  330.507   6.0754  294.476   10.831  276.502   14.803  315.181   15.888  319.693   8.5692  341.320   8.6145 -21.62689 12.15075 
1 1 1  -23    2   29 o  313.526   6.0664  266.146   10.269  276.643   14.454  255.447   14.592  319.784   8.3647  307.269   8.7884 12.51480 12.13276 
1 1 1  -23    2   30 o  558.752   7.4648  845.279   22.536  837.228   31.607  853.605   32.142  556.050   10.519  561.454   10.594 -5.403381 14.92960 
1 1 1  -23    2   31 o  418.336   6.3300  473.113   14.295  460.481   19.685  487.205   20.792  412.447   8.8323  424.224   9.0700 -11.77768 12.65999 
1 1 1  -23    2   32 o  488.242   6.7908  645.632   17.916  645.616   25.338  645.648   25.336  488.236   9.6042  488.249   9.6032 -0.1214600E-01 13.58169 
1 1 1  -23    2   33 f  686.873   8.7760  1278.00   32.526  1241.62   44.591  1319.36   47.550  676.495   12.198  697.250   12.620 -20.75555 17.55195 
1 1 1  -23    2   36 o  266.175   8.1959  191.654   11.763  206.104   17.327  179.302   16.020  275.435   11.642  256.915   11.540 18.51999 16.39175 
1 1 1  -23    2   37 o  497.986   6.8779  672.286   18.497  689.525   26.713  656.407   25.639  504.096   9.8068  491.875   9.6461 12.22067 13.75572 
1 1 1  -23    2   38 o  148.534   7.4129   59.980   5.9209   52.506   8.2660   67.856   8.4850  138.983   11.006  158.086   9.9327 -19.10350 14.82574 
1 1 1  -23    2   39 o   56.898   12.332   6.4368   5.1236   16.672   7.2987  -3.5067   7.1941   76.333   17.989   37.464   16.874 38.86949 24.66477 
1 1 1  -23    2   40 o  298.795   5.7090  242.134   9.2112  244.525   13.305  239.933   12.765  300.191   8.2022  297.399   7.9431 2.791992 11.41798 
1 1 1  -23    2   41 o   88.767   11.568   22.169   5.3935   23.382   7.3283   20.736   7.9668   92.362   14.683   85.172   17.880 7.189949 23.13618 
1 1 1  -23    2   42 o  118.283   8.6783   38.303   5.5380   39.959   7.7393   36.565   7.9279  120.955   11.841  115.611   12.690 5.344414 17.35659 
1 1 1  -23    2   43 o  224.835   5.8945  137.431   7.1613  136.392   10.108  138.478   10.148  223.979   8.3513  225.690   8.3209 -1.711121 11.78904 
1 1 1  -23    2   44 o  244.810   5.7623  162.507   7.6119  152.599   10.456  173.678   11.103  236.890   8.1683  252.730   8.1298 -15.84009 11.52457 
1 1 1  -23    2   45 o   47.596   13.250   3.8621   5.0042   3.5379   6.9880   4.2034   7.1695   46.798   18.557   48.393   18.917 -1.595024 26.49994 
1 1 1  -23    2   46 o  222.886   5.8439  134.850   7.0248  146.434   10.274  124.681   9.6265  231.856   8.2005  213.916   8.3279 17.94028 11.68773 
1 1 1  -23    2   47 o  146.917   7.2537   58.740   5.7294   67.743   8.4690   51.143   7.7800  157.283   9.9646  136.551   10.544 20.73218 14.50745 
1 1 1  -23    2   48 o   48.097   19.336   3.5698   7.6927   0.0000   0.0000   3.5698   7.6927  ?   ?    48.097   19.336      ?      ? 
1 1 1  -23    2   49 o  248.913   5.7933  169.246   7.7919  170.955   11.087  167.578   10.953  250.152   8.2024  247.675   8.1836 2.477234 11.58664 
1 1 1  -23    2   50 o  237.318   5.7534  153.880   7.3717  145.154   10.265  163.174   10.593  230.337   8.2470  244.298   8.0246 -13.96043 11.50678 
1 1 1  -23    2   51 o  203.327   6.1183  113.063   6.7120  119.464   9.8260  107.465   9.1904  208.685   8.7136  197.969   8.5911 10.71591 12.23659 
1 1 1  -23    2   52 o   94.913   11.128   26.010   5.5678   28.409   7.9331   23.681   7.8164  100.176   14.655   89.650   16.751 10.52589 22.25689 
1 1 1  -23    2   53 o  184.630   6.6285   93.820   6.6053  100.166   9.5747   88.057   9.1242  190.606   9.2961  178.654   9.4513 11.95166 13.25691 
1 1 1  -23    2   54 o   74.316   13.461   16.998   5.4577   14.824   7.8571   19.025   7.5867   69.446   19.909   79.187   18.122 -9.741333 26.92158 
1 1 1  -23    2   55 o   91.820   12.189   25.238   5.8309   34.744   8.4963   16.775   8.0168  110.209   14.267   73.430   19.767 36.77853 24.37732 
1 1 1  -23    2   56 o   83.611   12.428   21.084   5.6278   12.222   7.7340   31.058   8.2047   63.251   20.114  103.970   14.604 -40.71880 24.85676 
1 1 1  -23    2   57 o  138.266   8.1999   53.920   6.1254   52.574   8.5783   55.319   8.7494  136.490   11.631  140.043   11.562 -3.553772 16.39980 
1 1 1  -23    2   58 o   88.708   12.690   24.593   5.9368   30.247   8.1880   18.327   8.6204  101.906   14.869   75.510   20.569 26.39527 25.38068 
1 1 1  -23    2   59 o  139.190   8.8212   56.115   6.5544   66.248   9.3409   46.287   9.1993  152.389   11.344  125.990   13.512 26.39831 17.64246 
1 1 1  -23    2   60 o   77.946   14.955   20.236   6.4520   19.722   9.5388   20.669   8.7599   76.515   21.936   79.377   20.333 -2.861946 29.91019 
1 1 1  -23    2   63 o   51.832   14.259   2.3478   6.9305   17.732   10.199 -10.8505   9.4465   69.306   23.172   34.358   16.624 34.94742 28.51852 
1 1 1  -23    2   64 o   64.510   15.312   15.855   6.3417   18.354   9.1288   13.523   8.8163   69.031   21.842   59.989   21.465 9.042721 30.62400 
1 1 1  -23    3    1 o  362.175   10.285  354.730   20.128   0.0000   0.0000  354.730   20.128  ?   ?   362.175   10.285      ?      ? 
1 1 1  -23    3    2 o  182.975   6.3650   90.647   6.2825   87.905   9.0705   93.176   8.7100  180.308   9.3095  185.643   8.6826 -5.335541 12.73007 
1 1 1  -23    3    3 o  829.481   12.392  1868.47   52.607  1878.17   64.830  1849.78   90.018  833.001   14.403  825.961   20.169 7.039917 24.78341 
1 1 1  -23    3    4 o  393.020   6.8633  414.921   13.504  425.000   24.323  410.430   16.237  396.388   11.356  389.653   7.7114 6.735504 13.72658 
1 1 1  -23    3    5 o  312.008   7.0380  262.889   11.850  269.820   17.295  256.757   16.269  315.873   10.133  308.142   9.7704 7.731445 14.07599 
1 1 1  -23    3    6 o  819.817   14.215  1819.62   62.902  1767.57   86.542  1877.93   91.586  807.443   19.835  832.191   20.367 -24.74762 28.42923 
1 1 1  -23    3    7 o  500.158   8.0591  672.433   20.418  664.683   24.800  688.739   35.973  495.810   9.2564  504.507   13.195 -8.696655 16.11827 
1 1 1  -23    3    8 o  541.184   6.9950  791.915   20.454  796.948   29.177  787.052   28.681  542.872   9.9463  539.495   9.8382 3.376160 13.98996 
1 1 1  -23    3    9 o  244.676   4.7630  161.631   6.2931  153.698   8.7484  170.138   9.0593  238.461   6.7893  250.891   6.6822 -12.43080 9.526051 
1 1 1  -23    3   10 o  1042.61   12.570  2943.76   70.794  2896.38   98.512  2994.36  101.805  1033.96   17.632  1051.25   17.922 -17.29639 25.14091 
1 1 1  -23    3   11 o  694.816   8.6507  1305.91   32.476  1293.39   45.547  1318.85   46.319  691.432   12.191  698.199   12.277 -6.766296 17.30131 
1 1 1  -23    3   12 o  354.390   5.3505  339.420   10.245  333.473   14.359  345.588   14.622  351.229   7.5656  357.552   7.5678 -6.322998 10.70091 
1 1 1  -23    3   13 o  365.183   5.4449  360.467   10.744  356.710   15.097  364.322   15.293  363.255   7.6911  367.110   7.7094 -3.854980 10.88979 
1 1 1  -23    3   14 o  408.013   5.8047  450.044   12.797  446.987   18.006  453.165   18.192  406.614   8.1949  409.413   8.2232 -2.799835 11.60936 
1 1 1  -23    3   15 f  325.551   5.2471  286.363   9.2283  294.056   13.217  279.046   12.890  329.815   7.4163  321.286   7.4249 8.528381 10.49425 
1 1 1  -23    3   16 o  729.183   9.0548  1439.00   35.678  1437.47   50.438  1440.54   50.476  728.793   12.808  729.573   12.803 -0.7794189 18.10969 
1 1 1  -23    3   17 o  660.761   8.3238  1181.23   29.717  1169.69   41.654  1193.20   42.409  657.479   11.724  664.044   11.819 -6.565674 16.64769 
1 1 1  -23    3   18 o  841.187   10.316  1916.41   46.889  1927.05   66.749  1906.05   65.880  843.484   14.645  838.889   14.533 4.594604 20.63206 
1 1 1  -23    3   19 o  167.057   6.0821   75.473   5.4870   71.989   7.7176   79.034   7.8028  163.156   8.7537  170.959   8.4463 -7.803299 12.16421 
1 1 1  -23    3   20 o  419.486   6.0433  475.827   13.698  471.244   19.285  480.493   19.461  417.447   8.5491  421.524   8.5439 -4.077087 12.08661 
1 1 1  -23    3   21 o  629.017   8.0369  1070.37   27.313  1055.58   38.202  1085.83   39.065  624.578   11.319  633.456   11.413 -8.878296 16.07387 
1 1 1  -23    3   22 o  564.745   7.4003  862.564   22.578  850.367   31.502  875.447   32.375  560.646   10.398  568.844   10.532 -8.197937 14.80052 
1 1 1  -23    3   23 o  536.263   7.1711  777.910   20.778  785.967   29.660  770.145   29.117  538.986   10.184  533.539   10.099 5.446838 14.34223 
1 1 1  -23    3   24 o  735.496   9.2344  1464.99   36.701  1465.36   51.914  1464.63   51.893  735.587   13.061  735.405   13.058 0.1817017 18.46889 
1 1 1  -23    3   25 o  117.556   10.265   37.482   6.5034   37.987   8.9154   36.908   9.5075  118.416   13.933  116.696   15.077 1.719757 20.52931 
1 1 1  -23    3   26 o  441.794   6.4659  527.902   15.434  523.615   21.597  532.376   22.063  439.965   9.0843  443.623   9.2036 -3.658203 12.93180 
1 1 1  -23    3   27 o  242.150   6.3149  158.156   8.2419  152.283   11.188  165.125   12.188  237.257   8.7262  247.043   9.1304 -9.786331 12.62975 
1 1 1  -23    3   28 o  218.344   6.5448  129.046   7.7197  126.250   10.961  131.796   10.874  215.993   9.3915  220.696   9.1180 -4.703400 13.08961 
1 1 1  -23    3   29 o  477.370   6.7805  616.552   17.485  610.015   24.357  623.502   25.114  474.768   9.4942  479.972   9.6831 -5.204010 13.56102 
1 1 1  -23    3   30 o  317.928   5.9696  273.349   10.253  280.923   14.709  266.193   14.298  322.208   8.4482  313.647   8.4363 8.560791 11.93912 
1 1 1  -23    3   31 o  399.671   6.1852  431.435   13.340  414.052   18.295  451.171   19.494  391.101   8.6567  408.240   8.8369 -17.13870 12.37048 
1 1 1  -23    3   32 o  460.809   6.6410  575.074   16.536  574.054   23.396  576.093   23.376  460.399   9.4041  461.219   9.3794 -0.8199158 13.28197 
1 1 1  -23    3   33 o   63.439   15.617   3.1085   6.8338  -4.0437   8.0671   21.284   12.860   39.709   17.878   87.170   25.610 -47.46182 31.23339 
1 1 1  -23    3   36 f   97.145   13.392   23.831   6.6813   16.802   8.1900   37.815   11.552   76.792   19.654  117.497   18.195 -40.70465 26.78323 
1 1 1  -23    3   37 o  431.094   6.3706  503.813   14.837  512.315   21.250  495.725   20.726  434.635   9.0477  427.554   8.9709 7.081512 12.74116 
1 1 1  -23    3   38 o  159.102   7.3171   68.749   6.2848   69.311   9.1046   68.237   8.6862  159.706   10.550  158.499   10.142 1.206955 14.63419 
1 1 1  -23    3   39 f  193.712   6.4143  101.896   6.7138  101.795   9.5473  101.996   9.4430  193.611   9.1257  193.814   9.0165 -0.2026520 12.82866 
1 1 1  -23    3   40 o  241.824   5.7131  158.658   7.4654  158.029   10.539  159.291   10.577  241.342   8.0809  242.305   8.0781 -0.9622650 11.42617 
1 1 1  -23    3   41 o  145.704   7.2958   58.068   5.7140   52.431   8.2024   63.383   7.9645  138.733   10.941  152.675   9.6538 -13.94188 14.59152 
1 1 1  -23    3   42 o   40.513   12.397  -0.8812   5.0368   0.9749   6.9752  -2.9036   7.2809   42.704   17.915   38.322   17.140 4.381775 24.79369 
1 1 1  -23    3   43 o  315.182   5.6942  270.020   9.6971  267.302   13.755  272.707   13.673  313.589   8.1172  316.774   7.9878 -3.184753 11.38832 
1 1 1  -23    3   44 o   67.688   13.655   12.999   5.3342   16.594   7.6867   9.6591   7.4086   75.611   18.873   59.766   19.741 15.84467 27.31055 
1 1 1  -23    3   45 o   43.151   12.825   0.6879   5.0878   2.9722   7.5837  -1.1817   6.8609   47.216   19.123   39.086   17.095 8.130142 25.64992 
1 1 1  -23    3   46 o  136.517   7.5940   51.139   5.5896   47.099   7.8820   55.227   7.9279  131.014   11.133  142.020   10.330 -11.00699 15.18794 
1 1 1  -23    3   47 o   50.237   12.986   5.0375   4.9425   9.8726   6.9188  -0.0014   7.0631   59.362   19.040   41.113   17.664 18.24875 25.97240 
1 1 1  -23    3   48 o  286.287   5.6799  223.432   8.7839  216.161   12.259  231.105   12.593  281.494   8.0591  291.080   8.0060 -9.586487 11.35982 
1 1 1  -23    3   49 o  183.050   6.5950   91.937   6.5170   90.181   9.3688   93.583   9.0714  181.287   9.5638  184.814   9.0835 -3.526566 13.18995 
1 1 1  -23    3   50 o   60.079   13.788   10.285   5.1590   11.819   7.1847   8.6520   7.4127   63.485   19.261   56.674   19.734 6.810909 27.57610 
1 1 1  -23    3   51 o   48.645   13.443   4.5829   5.1444   2.9908   7.0864   6.3568   7.4801   45.282   18.431   52.008   19.575 -6.726276 26.88666 
1 1 1  -23    3   52 o  199.129   6.3532  109.240   6.8209  105.829   9.8841  112.342   9.4246  196.018   9.3315  202.240   8.6240 -6.222504 12.70632 
1 1 1  -23    3   53 o  318.428   5.8092  278.290   9.9915  282.785   14.380  274.095   13.892  320.863   8.2940  315.992   8.1361 4.871063 11.61836 
1 1 1  -23    3   54 o   47.104   13.527   3.5239   5.4514   1.3007   7.8701   5.5743   7.5582   44.061   18.781   50.147   19.473 -6.085171 27.05378 
1 1 1  -23    3   55 f  247.188   5.9662  168.289   7.9635  161.215   11.024  176.010   11.516  241.762   8.4384  252.613   8.4367 -10.85106 11.93246 
1 1 1  -23    3   56 o  193.261   6.7164  103.619   7.0141  103.293   9.9154  103.945   9.9234  192.952   9.5099  193.571   9.4871 -0.6195068 13.43287 
1 1 1  -23    3   57 o  179.221   7.0944   89.933   6.8483   82.196   9.7147   97.575   9.6555  171.263   10.497  187.180   9.5461 -15.91693 14.18878 
1 1 1  -23    3   58 o   90.814   12.623   25.232   6.0527   30.847   8.6995   19.964   8.4267  102.428   15.718   79.200   19.756 23.22868 25.24548 
1 1 1  -23    3   59 o  159.328   8.1149   72.196   6.9603   81.416   10.238   64.273   9.4911  168.931   11.215  149.724   11.731 19.20705 16.22973 
1 1 1  -23    3   60 o   36.215   12.431 -13.4952   7.4793 -25.0901   13.380  -8.2256   9.0202   36.370   18.029   36.060   17.120 0.3101845 24.86297 
1 1 1  -23    3   63 o   60.999   14.601   10.955   6.7525   22.444   9.6530  -0.0548   9.4493   79.006   21.868   42.992   19.354 36.01435 29.20210 
1 1 1  -23    3   64 o   50.687   14.513   7.3091   6.4168   12.435   9.1786   2.4088   8.9743   57.829   21.700   43.545   19.278 14.28362 29.02647 
1 1 1  -23    4    1 o  434.316   7.2321  507.385   15.870  517.793   28.075  502.497   19.238  437.502   11.875  431.129   8.2578 6.372375 14.46425 
1 1 1  -23    4    2 o  625.255   9.7148  1052.75   30.594  1072.52   54.417  1043.62   36.994  629.341   16.001  621.169   11.021 8.171753 19.42963 
1 1 1  -23    4    3 o   99.947   9.0665   27.009   4.8966   0.0000   0.0000   27.009   4.8966  ?   ?    99.947   9.0665      ?      ? 
1 1 1  -23    4    4 o  328.681   7.2833  291.369   12.895  301.577   19.139  282.883   17.450  333.930   10.606  323.433   9.9846 10.49692 14.56664 
1 1 1  -23    4    5 o  1138.04   19.415  3521.94  119.385  3488.74  167.398  3556.31  170.312  1132.61   27.351  1143.47   27.563 -10.85718 38.83089 
1 1 1  -23    4    6 o  732.619   12.852  1453.67   50.862  1427.03   70.857  1481.98   73.051  725.711   18.069  739.528   18.280 -13.81665 25.70332 
1 1 1  -23    4    7 o  729.552   11.085  1434.64   40.983  1422.53   49.840  1459.91   72.017  725.090   12.720  734.013   18.157 -8.922485 22.16937 
1 1 1  -23    4    8 o  265.742   6.7890  190.878   9.7489   0.0000   0.0000  190.878   9.7489  ?   ?   265.742   6.7890      ?      ? 
1 1 1  -23    4    9 f  758.070   9.3509  1554.09   38.288  1523.44   53.206  1587.02   55.142  750.331   13.123  765.809   13.325 -15.47845 18.70187 
1 1 1  -23    4   10 o  428.013   5.9439  494.724   13.739  478.977   19.037  511.843   19.849  420.914   8.3697  435.113   8.4420 -14.19876 11.88779 
1 1 1  -23    4   11 o  537.671   7.0021  781.741   20.342  783.378   28.952  780.144   28.588  538.225   9.9547  537.117   9.8499 1.107422 14.00416 
1 1 1  -23    4   12 o  575.695   7.4008  896.094   23.016  906.552   33.012  886.201   32.107  578.958   10.552  572.432   10.380 6.525635 14.80155 
1 1 1  -23    4   13 o  521.553   6.8490  735.581   19.302  731.300   27.244  739.896   27.351  520.029   9.6951  523.076   9.6767 -3.047913 13.69794 
1 1 1  -23    4   14 o  292.512   5.1193  231.255   8.0900  233.174   11.578  229.425   11.308  293.696   7.2956  291.328   7.1834 2.368744 10.23850 
1 1 1  -23    4   15 o  1100.13   13.263  3280.99   78.827  3317.80  112.836  3245.89  110.167  1106.13   18.878  1094.12   18.634 12.00269 26.52523 
1 1 1  -23    4   16 o  216.190   5.2659  126.352   6.1511  123.952   8.6747  128.779   8.7234  214.124   7.4973  218.255   7.3966 -4.130737 10.53181 
1 1 1  -23    4   17 o  463.762   6.3740  581.618   15.973  584.337   22.698  578.950   22.482  464.835   9.0365  462.689   8.9919 2.145721 12.74805 
1 1 1  -23    4   18 o  628.435   8.0078  1068.69   27.193  1067.96   38.523  1069.42   38.392  628.219   11.348  628.652   11.302 -0.4337769 16.01567 
1 1 1  -23    4   19 o  625.189   7.9857  1057.68   26.978  1056.94   38.183  1058.43   38.123  624.968   11.307  625.410   11.281 -0.4426270 15.97147 
1 1 1  -23    4   20 o  632.877   11.454  1083.86   39.171   0.0000   0.0000  1083.86   39.171  ?   ?   632.877   11.454      ?      ? 
1 1 1  -23    4   21 o  273.178   7.8587  201.777   11.601   0.0000   0.0000  201.777   11.601  ?   ?   273.178   7.8587      ?      ? 
1 1 1  -23    4   22 o  479.085   6.6523  620.081   17.209  601.078   23.801  640.901   24.913  471.406   9.3435  486.764   9.4715 -15.35791 13.30451 
1 1 1  -23    4   23 o  402.415   6.0944  437.441   13.243  424.217   18.311  451.943   19.175  396.049   8.5560  408.781   8.6809 -12.73163 12.18870 
1 1 1  -23    4   24 o  219.940   6.2787  130.868   7.4590  131.962   10.424  129.721   10.678  220.886   8.7336  218.994   9.0230 1.892197 12.55744 
1 1 1  -23    4   25 o  120.032   9.6053   38.972   6.2000   38.483   8.3432   39.575   9.2654  119.206   12.952  120.857   14.187 -1.651482 19.21060 
1 1 1  -23    4   26 o  542.286   7.3192  793.789   21.406  764.329   29.193  828.049   31.482  531.448   10.166  553.124   10.533 -21.67645 14.63833 
1 1 1  -23    4   27 o  139.043   8.7474   51.609   6.4708   40.186   8.6436   66.174   9.7600  121.771   13.136  156.314   11.555 -34.54367 17.49488 
1 1 1  -23    4   28 o  421.398   6.3488  480.227   14.449  473.390   20.045  487.620   20.845  418.285   8.8685  424.510   9.0872 -6.225220 12.69753 
1 1 1  -23    4   29 o  170.830   7.2465   79.701   6.6303   87.343   9.1082   71.086   9.6704  179.646   9.3827  162.015   11.046 17.63139 14.49295 
1 1 1  -23    4   30 o  133.139   9.0275   49.212   6.3135   60.850   8.7866   36.789   9.0780  149.869   10.850  116.410   14.431 33.45905 18.05503 
1 1 1  -23    4   31 o  257.535   6.0893  179.559   8.4732  182.316   11.974  176.792   11.992  259.521   8.5383  255.550   8.6843 3.970459 12.17864 
1 1 1  -23    4   32 o  572.197   7.5960  887.227   23.484  876.667   32.898  898.198   33.532  568.733   10.705  575.662   10.780 -6.928894 15.19193 
1 1 1  -23    4   33 o  425.133   9.1858  490.667   21.092  493.694   30.343  487.838   29.339  426.371   13.170  423.894   12.809 2.477631 18.37150 
1 1 1  -23    4   35 o  301.384   12.252  246.847   19.954   0.0000   0.0000  246.847   19.954  ?   ?   301.384   12.252      ?      ? 
1 1 1  -23    4   36 o  173.445   7.0466   81.667   6.6009   84.171   9.2983   79.123   9.3723  176.141   9.7691  170.749   10.158 5.392151 14.09316 
1 1 1  -23    4   37 o  244.971   5.8163  162.717   7.6967  166.455   10.836  158.911   10.934  247.824   8.0920  242.118   8.3570 5.705444 11.63270 
1 1 1  -23    4   38 o   54.632   12.849   5.6039   5.4083   14.271   7.2942  -4.9792   8.0600   70.747   18.770   38.517   17.551 32.23032 25.69750 
1 1 1  -23    4   39 o  289.481   5.7175  227.335   8.9430  228.466   12.730  226.233   12.566  290.187   8.1183  288.775   8.0529 1.411896 11.43491 
1 1 1  -23    4   40 o  359.116   5.8784  349.778   11.401  356.203   16.451  343.841   15.815  362.270   8.4035  355.962   8.2220 6.307587 11.75676 
1 1 1  -23    4   41 o  297.235   5.7093  239.846   9.1693  241.662   12.917  238.002   13.018  298.380   8.0114  296.090   8.1365 2.289673 11.41862 
1 1 1  -23    4   42 o  190.101   6.4619   98.229   6.6337   95.598   9.1839  101.100   9.5923  187.452   9.0667  192.750   9.2097 -5.297638 12.92372 
1 1 1  -23    4   43 o  150.076   7.3994   61.474   5.9992   61.744   8.5858   61.216   8.3860  150.384   10.566  149.769   10.362 0.6144104 14.79872 
1 1 1  -23    4   44 o  127.292   8.2185   44.414   5.6470   42.404   8.0266   46.385   7.9462  124.389   11.942  130.195   11.295 -5.806099 16.43693 
1 1 1  -23    4   45 o   89.887   10.935   22.755   5.1759   25.430   7.4084   20.205   7.2343   95.927   14.292   83.847   16.555 12.08051 21.87053 
1 1 1  -23    4   46 o   41.692   12.439   0.7419   4.8238   2.1272   6.8534  -0.6183   6.7908   43.866   18.021   39.517   17.149 4.349503 24.87702 
1 1 1  -23    4   47 o  211.125   5.9132  121.653   6.7367  120.854   9.7685  122.378   9.3029  210.406   8.5918  211.843   8.1267 -1.436813 11.82632 
1 1 1  -23    4   48 f   77.787   11.987   18.289   5.2158   8.0206   7.5723   27.558   7.1946   55.935   19.906   99.639   13.363 -43.70390 23.97494 
1 1 1  -23    4   49 o   63.362   13.766   11.731   5.1725   10.819   7.7020   12.481   6.9809   61.631   20.117   65.094   18.797 -3.463593 27.53165 
1 1 1  -23    4   50 o   40.367   12.436  -0.6075   5.0961   0.1342   7.2253  -1.3417   7.1889   41.404   17.829   39.331   17.341 2.073132 24.87137 
1 1 1  -23    4   51 o  197.252   6.2576  106.718   6.6639  110.989   9.6760  102.865   9.1912  200.978   8.9096  193.526   8.7891 7.452057 12.51514 
1 1 1  -23    4   52 o   45.022   12.998   1.9583   5.1995  -2.0235   7.2120   6.2679   7.5029   38.334   17.108   51.709   19.572 -13.37500 25.99517 
1 1 1  -23    4   53 o  165.842   6.8606   76.003   6.1366   82.458   8.7983   69.888   8.5635  172.802   9.4224  158.881   9.9745 13.92137 13.72119 
1 1 1  -23    4   54 o  182.529   6.7001   92.210   6.6027   87.195   9.2688   97.377   9.4080  177.401   9.6689  187.657   9.2777 -10.25595 13.40019 
1 1 1  -23    4   55 o   79.225   13.263   19.111   5.6716   13.819   7.6950   25.405   8.3921   66.791   19.860   91.659   17.583 -24.86874 26.52517 
1 1 1  -23    4   56 o  240.344   6.2210  159.607   8.0721  157.653   11.154  161.755   11.697  238.897   8.6403  241.790   8.9524 -2.893509 12.44193 
1 1 1  -23    4   57 o   79.909   13.477   20.072   5.7582   17.581   8.0991   22.617   8.1882   74.404   19.797   85.415   18.292 -11.01128 26.95426 
1 1 1  -23    4   58 o  150.364   8.2279   64.267   6.6628   58.621   9.4408   69.870   9.4044  143.428   12.181  157.300   11.064 -13.87260 16.45579 
1 1 1  -23    4   59 o   43.780   12.617  -2.9254   5.9652 -18.3619   8.6943   10.804   8.1996   28.967   14.389   58.593   20.728 -29.62590 25.23337 
1 1 1  -23    4   60 o   43.776   14.668 -11.7464   9.3951  -2.1149   13.667 -20.3761   12.937   49.988   22.807   37.564   18.449 12.42458 29.33525 
1 1 1  -23    4   62 o   59.775   24.745   12.646   13.053   12.646   13.053   0.0000   0.0000   59.775   24.745  ?   ?       ?      ? 
1 1 1  -23    4   63 o   87.324   14.683   26.844   6.8240   27.300   9.8209   26.419   9.4889   87.842   20.979   86.806   20.548 1.036629 29.36544 
1 1 1  -23    5    1 o  586.823   7.4831  931.347   23.728  928.536   33.658  934.125   33.456  585.940   10.630  587.706   10.535 -1.765991 14.96620 
1 1 1  -23    5    2 o  702.094   10.674  1353.07   38.859  1265.99   63.658  1404.80   49.061  683.623   17.233  720.565   12.600 -36.94165 21.34768 
1 1 1  -23    5    3 o  939.456   14.007  2394.68   66.961  2387.39  116.125  2398.31   81.960  937.835   22.915  941.078   16.117 -3.242615 28.01495 
1 1 1  -23    5    4 o  858.013   14.884  1996.27   68.996  1967.12   96.467  2026.80   98.721  851.615   20.963  864.411   21.135 -12.79535 29.76783 
1 1 1  -23    5    5 o  434.434   8.5546  510.528   20.070  512.162   28.917  509.009   27.878  435.095   12.299  433.772   11.893 1.322571 17.10921 
1 1 1  -23    5    6 o  322.057   7.4026  279.303   12.822  292.342   19.257  268.919   17.184  328.769   10.839  315.345   10.085 13.42395 14.80519 
1 1 1  -23    5    7 o  433.140   5.9692  506.946   13.962  514.223   20.169  500.249   19.348  436.120   8.5582  430.160   8.3235 5.959045 11.93831 
1 1 1  -23    5    8 o  219.443   4.8117  130.326   5.6983  125.376   8.1614  135.034   7.9595  215.369   7.0128  223.516   6.5900 -8.147034 9.623339 
1 1 1  -23    5    9 f  524.933   9.6806  745.130   27.460   0.0000   0.0000  745.130   27.460  ?   ?   524.933   9.6806      ?      ? 
1 1 1  -23    5   10 o  124.679   9.1424   42.032   6.1595   0.0000   0.0000   42.032   6.1595  ?   ?   124.679   9.1424      ?      ? 
1 1 1  -23    5   11 o  997.346   12.071  2694.71   65.051  2703.88   92.450  2685.72   91.549  999.017   17.126  995.674   17.016 3.343750 24.14165 
1 1 1  -23    5   12 o  362.362   5.4901  354.964   10.748  355.440   15.341  354.504   15.064  362.599   7.8298  362.125   7.6981 0.4741211 10.98028 
1 1 1  -23    5   13 o  431.501   6.0387  503.435   14.080  501.996   19.963  504.859   19.862  430.886   8.5739  432.115   8.5060 -1.229370 12.07738 
1 1 1  -23    5   14 o  502.313   6.7071  682.206   18.203  671.965   25.508  692.833   25.985  498.473   9.4701  506.153   9.5005 -7.679535 13.41426 
1 1 1  -23    5   15 o  473.695   6.4540  606.761   16.519  600.657   23.243  612.991   23.483  471.288   9.1269  476.102   9.1277 -4.813873 12.90792 
1 1 1  -23    5   16 o  708.597   8.8624  1358.43   33.921  1380.85   48.811  1337.50   47.173  714.235   12.647  702.958   12.419 11.27692 17.72486 
1 1 1  -23    5   17 o  454.074   6.3099  557.473   15.478  563.156   22.189  552.086   21.603  456.324   8.9985  451.824   8.8480 4.500092 12.61987 
1 1 1  -23    5   18 o  228.100   5.5281  140.215   6.7980  154.356   9.9079  127.638   9.3443  238.933   7.6740  217.267   7.9591 21.66669 11.05610 
1 1 1  -23    5   19 o  875.995   10.743  2078.09   50.839  2043.89   70.845  2114.41   72.996  868.582   15.094  883.408   15.291 -14.82635 21.48645 
1 1 1  -23    5   20 o  429.595   6.2112  498.624   14.409  511.250   20.845  487.070   19.940  434.794   8.8722  424.396   8.6948 10.39850 12.42240 
1 1 1  -23    5   21 o  776.427   9.6532  1632.49   40.499  1621.64   56.988  1643.55   57.565  773.825   13.629  779.029   13.675 -5.203979 19.30649 
1 1 1  -23    5   22 o  300.680   5.7559  244.626   9.3463  252.851   13.162  236.261   13.274  305.786   7.9656  295.573   8.3108 10.21323 11.51175 
1 1 1  -23    5   23 o  277.082   5.8423  206.454   8.7226  189.613   11.838  226.456   12.901  264.789   8.2738  289.374   8.2506 -24.58478 11.68451 
1 1 1  -23    5   24 o  167.302   7.4980   75.455   6.7503   72.806   9.0761   78.734   10.098  164.037   10.239  170.567   10.956 -6.529770 14.99608 
1 1 1  -23    5   25 o  486.100   6.8995  639.197   18.121  647.946   25.865  630.764   25.395  489.364   9.7813  482.835   9.7334 6.528656 13.79904 
1 1 1  -23    5   26 o  222.645   9.7693  134.152   11.753   0.0000   0.0000  134.152   11.753  ?   ?   222.645   9.7693      ?      ? 
1 1 1  -23    5   27 o  510.473   7.0450  705.336   19.433  710.016   27.464  700.644   27.500  512.173   9.9234  508.774   10.003 3.398865 14.08992 
1 1 1  -23    5   28 o  286.847   5.8700  222.588   9.0977  222.298   12.769  222.886   12.965  286.660   8.2434  287.033   8.3592 -0.3736572 11.74009 
1 1 1  -23    5   29 o  290.434   8.1198  228.225   12.743  228.225   12.743   0.0000   0.0000  290.434   8.1198  ?   ?       ?      ? 
1 1 1  -23    5   30 f   95.497   11.667   25.355   5.8375   26.585   7.9025   23.878   8.6606   98.923   14.784   92.070   18.053 6.852287 23.33361 
1 1 1  -23    5   31 o  441.285   6.4695  527.246   15.426  520.927   21.675  533.731   21.959  438.606   9.1453  443.963   9.1533 -5.356812 12.93909 
1 1 1  -23    5   32 o  495.850   8.4721  668.609   21.501  672.072   26.499  661.937   36.784  498.060   9.8459  493.640   13.790 4.420807 16.94428 
1 1 1  -23    5   33 o  303.891   12.202  250.676   20.037   0.0000   0.0000  250.676   20.037  ?   ?   303.891   12.202      ?      ? 
1 1 1  -23    5   35 o  378.868   8.6318  390.145   17.653  391.441   25.572  388.964   24.400  379.418   12.473  378.317   11.936 1.101196 17.26353 
1 1 1  -23    5   36 f  159.095   7.4350   69.578   6.3014   81.102   8.7850   57.366   9.0437  172.911   9.4022  145.279   11.520 27.63274 14.86997 
1 1 1  -23    5   37 o  215.059   6.0582  125.003   7.0284  116.993   9.6269  134.145   10.285  207.705   8.5773  222.412   8.5578 -14.70709 12.11635 
1 1 1  -23    5   38 o  146.107   7.6451   58.149   6.0270   54.866   8.5608   61.376   8.4865  141.980   11.158  150.234   10.454 -8.254257 15.29018 
1 1 1  -23    5   39 f  222.305   5.9196  134.105   7.1087  129.503   9.9901  138.825   10.118  218.431   8.4638  226.179   8.2782 -7.747864 11.83912 
1 1 1  -23    5   40 o   71.572   13.173   14.506   5.4781   7.3425   7.7338   21.719   7.7608   55.759   20.088   87.385   17.048 -31.62589 26.34641 
1 1 1  -23    5   41 o   47.434   13.309   2.5836   5.3057  -1.5241   7.4541   6.8019   7.5537   40.575   17.781   54.293   19.808 -13.71782 26.61777 
1 1 1  -23    5   42 o  278.852   5.6649  211.170   8.5309  201.085   11.923  221.746   12.211  272.014   8.1118  285.689   7.9097 -13.67410 11.32985 
1 1 1  -23    5   43 o  127.618   8.2646   44.577   5.6944   42.141   7.9916   47.089   8.1159  124.043   11.923  131.193   11.448 -7.149330 16.52915 
1 1 1  -23    5   44 o  207.635   6.1956  117.431   6.9492  120.884   9.8311  113.983   9.8242  210.710   8.6343  204.561   8.8877 6.149994 12.39121 
1 1 1  -23    5   45 o  302.715   5.7513  249.457   9.4051  241.257   13.191  257.935   13.413  297.636   8.2018  307.793   8.0647 -10.15649 11.50258 
1 1 1  -23    5   46 o   69.845   13.568   14.199   5.2448   14.995   7.9617   13.589   6.9713   71.487   19.886   68.203   18.463 3.284027 27.13556 
1 1 1  -23    5   47 o   94.108   11.285   25.804   5.3711   37.292   7.7639   15.259   7.4382  116.209   12.364   72.007   18.883 44.20254 22.57100 
1 1 1  -23    5   48 o  154.663   7.0100   65.507   5.8520   69.641   8.4936   61.772   8.0744  159.309   9.8665  150.016   9.9606 9.292374 14.01999 
1 1 1  -23    5   49 o  109.779   9.5213   33.625   5.6467   32.715   7.8877   34.581   8.0873  108.251   13.484  111.307   13.446 -3.055161 19.04269 
1 1 1  -23    5   50 o   88.130   11.528   22.488   5.3500   19.453   7.5453   25.557   7.5870   81.003   17.730   95.258   14.739 -14.25463 23.05654 
1 1 1  -23    5   51 o  103.793   10.100   30.474   5.6514   29.125   8.1438   31.727   7.8490  101.388   14.865  106.198   13.678 -4.810379 20.19978 
1 1 1  -23    5   52 o  115.936   9.2724   37.822   5.7911   36.628   8.4393   38.884   7.9612  114.003   13.699  117.869   12.500 -3.866074 18.54490 
1 1 1  -23    5   53 o  124.649   8.9402   43.380   5.9952   49.400   8.8816   38.342   8.1258  132.632   12.392  116.667   12.889 15.96550 17.88032 
1 1 1  -23    5   54 o  160.585   7.4709   71.863   6.4815   72.592   9.1060   71.113   9.2276  161.470   10.436  159.699   10.693 1.770691 14.94177 
1 1 1  -23    5   55 o   78.091   13.666   18.957   5.7435   17.612   8.1038   20.315   8.1414   75.104   19.717   81.079   18.927 -5.974945 27.33126 
1 1 1  -23    5   56 o   54.087   14.412   7.5332   5.7598   6.3767   8.2117   8.6532   8.0812   52.132   20.282   56.042   20.481 -3.909306 28.82462 
1 1 1  -23    5   57 o   73.031   14.441   17.196   6.0013   20.001   8.2797   14.092   8.7109   79.524   19.433   66.537   21.367 12.98727 28.88196 
1 1 1  -23    5   58 o   83.655   13.537   22.294   6.0331   17.735   8.3862   27.184   8.6859   73.798   20.365   93.511   17.840 -19.71291 27.07394 
1 1 1  -23    5   59 o   69.329   15.248   16.051   6.5529   20.866   9.1892   11.070   9.3473   78.967   21.123   59.692   21.995 19.27468 30.49531 
1 1 1  -23    5   60 o  110.289   16.685   40.132   9.9299   56.577   14.998   27.297   13.250  133.446   20.799   87.133   26.095 46.31316 33.36955 
1 1 1  -23    5   62 o   49.918   15.325  -3.4273   9.0261   15.707   12.690 -23.0180   12.841   64.765   25.209   35.072   17.433 29.69354 30.64979 
1 1 1  -23    5   63 o   79.932   14.474   23.493   6.6389   15.044   9.4901   31.592   9.2907   63.156   22.305   96.707   18.452 -33.55039 28.94783 
1 1 1  -23    6    1 f  430.044   5.9852  499.950   13.902  501.384   19.977  498.603   19.359  430.638   8.5848  429.450   8.3421 1.187836 11.97038 
1 1 1  -23    6    2 f  164.338   5.3703   72.944   4.7511   73.708   7.0476   72.307   6.4325  165.123   7.8985  163.553   7.2783 1.569427 10.74063 
1 1 1  -23    6    3 o  136.381   8.0612   50.408   4.9875   50.135   10.420   50.489   5.6803  136.098   14.169  136.664   7.6919 -0.5664520 16.12241 
1 1 1  -23    6    4 o  344.874   6.7205  325.133   11.646  311.937   20.492  331.430   14.155  339.595   11.167  350.153   7.4810 -10.55817 13.44104 
1 1 1  -23    6    5 o  748.749   13.179  1519.20   53.310  1531.31   76.307  1507.66   74.508  751.643   18.787  745.854   18.487 5.789001 26.35749 
1 1 1  -23    6    6 o  205.596   7.4925  114.204   8.2839  115.495   12.368  113.153   11.156  206.639   11.076  204.552   10.093 2.086823 14.98503 
1 1 1  -23    6    7 o  267.302   5.0156  193.204   7.2419  189.584   10.317  196.719   10.168  264.831   7.2093  269.772   6.9751 -4.941559 10.03121 
1 1 1  -23    6    8 o   68.256   11.237   12.990   4.0770   15.630   6.0196   10.753   5.5417   74.606   15.440   61.906   16.330 12.70037 22.47410 
1 1 1  -23    6    9 o  519.285   6.8572  728.859   19.237  711.857   26.854  746.781   27.571  513.068   9.6859  525.502   9.7092 -12.43353 13.71447 
1 1 1  -23    6   10 o   81.500   9.6355   18.335   4.1221   17.480   6.0889   19.058   5.6009   79.076   14.793   83.925   12.350 -4.848717 19.27109 
1 1 1  -23    6   11 f  732.748   9.1090  1453.06   36.066  1453.84   51.193  1452.29   50.819  732.938   12.926  732.557   12.838 0.3814087 18.21791 
1 1 1  -23    6   12 o  613.821   7.8272  1019.28   25.962  1018.08   36.783  1020.47   36.648  613.459   11.096  614.183   11.043 -0.7243042 15.65439 
1 1 1  -23    6   13 o  417.424   5.9489  471.075   13.417  463.414   18.865  478.918   19.087  413.989   8.4328  420.859   8.3931 -6.869934 11.89772 
1 1 1  -23    6   14 o  319.470   5.2877  275.971   9.1259  273.602   13.017  278.261   12.798  318.119   7.5725  320.821   7.3820 -2.702118 10.57530 
1 1 1  -23    6   15 o  396.591   5.8496  425.313   12.532  424.772   17.939  425.829   17.515  396.340   8.3761  396.842   8.1678 -0.5011597 11.69927 
1 1 1  -23    6   16 o  456.930   6.3717  564.413   15.729  551.216   21.981  578.262   22.517  451.458   9.0102  462.401   9.0117 -10.94312 12.74345 
1 1 1  -23    6   17 o   43.551   12.640   1.5928   4.7736   0.7000   6.8774   2.4228   6.6311   42.470   17.802   44.633   17.950 -2.163116 25.28012 
1 1 1  -23    6   18 o  681.075   8.6087  1253.82   31.655  1217.12   43.671  1294.45   45.950  670.601   12.051  691.550   12.296 -20.94904 17.21738 
1 1 1  -23    6   19 o  341.303   5.6827  314.970   10.480  310.919   14.792  319.053   14.851  339.098   8.0723  343.507   8.0005 -4.409180 11.36535 
1 1 1  -23    6   20 o  360.303   5.8007  350.984   11.293  355.764   16.103  346.358   15.841  362.717   8.2157  357.890   8.1911 4.826538 11.60136 
1 1 1  -23    6   21 f  248.964   5.8021  167.613   7.8051  170.292   11.074  164.969   11.002  250.942   8.1669  246.987   8.2436 3.955322 11.60410 
1 1 1  -23    6   22 o  583.628   7.6764  919.207   24.164  881.437   32.967  963.060   35.522  570.722   10.690  596.533   11.020 -25.81085 15.35270 
1 1 1  -23    6   23 o  511.789   7.0298  708.460   19.438  697.562   27.213  719.813   27.775  507.773   9.9180  515.804   9.9652 -8.031769 14.05958 
1 1 1  -23    6   24 o  379.828   6.1248  388.876   12.546  368.988   17.104  412.042   18.460  369.355   8.5698  390.300   8.7527 -20.94452 12.24955 
1 1 1  -23    6   25 o  146.375   8.3493   58.437   6.5334   61.331   8.7597   54.809   9.8081  150.517   10.770  142.233   12.761 8.284592 16.69866 
1 1 1  -23    6   26 o  304.216   6.0069  249.410   9.8440  238.891   13.306  262.130   14.632  297.167   8.2861  311.266   8.6990 -14.09845 12.01389 
1 1 1  -23    6   27 o  401.573   6.1990  435.694   13.436  424.265   18.476  448.521   19.574  396.000   8.6344  407.146   8.8971 -11.14560 12.39808 
1 1 1  -23    6   28 o  261.353   5.9571  184.758   8.4082  183.166   11.675  186.473   12.120  260.190   8.3036  262.517   8.5438 -2.327942 11.91416 
1 1 1  -23    6   29 o  608.237   7.9344  1001.97   26.068  980.651   36.250  1024.80   37.514  601.553   11.152  614.921   11.290 -13.36823 15.86882 
1 1 1  -23    6   30 o  165.456   7.1378   74.161   6.3816   74.690   9.0511   73.638   8.9990  166.043   10.088  164.869   10.101 1.174332 14.27561 
1 1 1  -23    6   31 o  244.365   6.0698  161.341   8.0066  152.476   11.053  171.128   11.614  237.315   8.6192  251.415   8.5487 -14.10054 12.13963 
1 1 1  -23    6   32 o  240.799   8.5264  157.393   11.090  155.383   15.845  159.324   15.528  239.274   12.255  242.324   11.858 -3.050339 17.05270 
1 1 1  -23    6   34 o  345.796   11.582  324.775   21.642   0.0000   0.0000  324.775   21.642  ?   ?   345.796   11.582      ?      ? 
1 1 1  -23    6   35 o   79.497   15.098   18.319   6.5496   19.942   8.2639   15.577   10.740   83.670   18.743   75.324   23.675 8.345161 30.19602 
1 1 1  -23    6   36 o  457.072   6.5738  566.553   16.230  574.574   23.342  559.044   22.582  460.185   9.3867  453.960   9.2059 6.225281 13.14757 
1 1 1  -23    6   37 o  195.382   6.3330  103.598   6.6860  104.140   9.4290  103.049   9.4821  195.902   8.9072  194.863   9.0051 1.038040 12.66606 
1 1 1  -23    6   38 o  247.712   5.7932  166.571   7.7505  162.596   11.044  170.428   10.879  244.778   8.3498  250.645   8.0327 -5.866806 11.58633 
1 1 1  -23    6   39 o  295.192   5.7969  236.445   9.2460  236.945   13.164  235.957   12.990  295.493   8.2440  294.890   8.1519 0.6023560 11.59383 
1 1 1  -23    6   40 o  220.153   5.9977  130.965   7.1161  144.330   10.473  119.501   9.6992  230.545   8.4064  209.760   8.5571 20.78470 11.99548 
1 1 1  -23    6   41 o  240.992   5.8747  157.763   7.6454  150.094   10.711  165.729   10.917  235.002   8.4345  246.982   8.1796 -11.98007 11.74935 
1 1 1  -23    6   42 o  217.972   5.9209  129.270   6.9667  127.712   10.049  130.711   9.6668  216.671   8.5830  219.272   8.1585 -2.601089 11.84183 
1 1 1  -23    6   43 f  301.683   5.7611  247.563   9.3881  245.952   13.442  249.098   13.117  300.694   8.2728  302.672   8.0202 -1.977905 11.52228 
1 1 1  -23    6   44 o  183.417   6.4938   91.802   6.4288   86.826   9.0971   96.767   9.0862  178.402   9.4366  188.433   8.9236 -10.03140 12.98769 
1 1 1  -23    6   45 o  187.258   6.3380   95.385   6.3966  105.607   9.3245   86.298   8.7915  196.743   8.7707  177.773   9.1518 18.97012 12.67601 
1 1 1  -23    6   46 o   78.388   12.600   18.012   5.2429   21.335   7.4437   14.741   7.3859   85.905   16.637   70.871   18.928 15.03403 25.20036 
1 1 1  -23    6   47 f  182.684   6.5712   91.340   6.4848   91.097   9.2818   91.571   9.0638  182.416   9.4163  182.952   9.1682 -0.5366211 13.14243 
1 1 1  -23    6   48 o   41.958   12.752  -0.0665   5.2254   1.8122   7.6482  -1.7113   7.1561   45.035   18.817   38.882   17.214 6.153519 25.50305 
1 1 1  -23    6   49 o  216.256   6.0144  128.383   7.0091  121.885   10.117  134.382   9.7201  210.851   8.8792  221.661   8.1150 -10.81087 12.02889 
1 1 1  -23    6   50 o  104.629   9.8400   31.106   5.4908   27.609   8.1187   34.054   7.4540   98.754   15.214  110.503   12.483 -11.74935 19.67993 
1 1 1  -23    6   51 o  165.003   7.4134   75.827   6.5590   66.117   9.3651   85.175   9.1890  154.278   11.234  175.729   9.6769 -21.45036 14.82689 
1 1 1  -23    6   52 o   50.034   13.747   5.3881   5.3289   5.4413   7.6185   5.3372   7.4565   50.269   19.542   49.800   19.341 0.4688759 27.49448 
1 1 1  -23    6   53 o  133.348   8.2861   49.758   5.9677   50.802   8.6048   48.791   8.2836  134.651   11.826  132.045   11.609 2.606262 16.57213 
1 1 1  -23    6   54 o   54.090   13.931   7.3096   5.6204   2.0061   8.2980   11.805   7.6397   45.780   19.390   62.400   20.007 -16.62056 27.86134 
1 1 1  -23    6   55 o  125.799   8.9523   44.168   6.0115   54.957   9.0435   35.626   8.0466  139.673   11.982  111.925   13.304 27.74788 17.90466 
1 1 1  -23    6   56 o   96.464   11.625   27.670   5.9152   27.872   8.6943   27.496   8.0712   95.772   17.443   97.156   15.374 -1.384277 23.25070 
1 1 1  -23    6   57 o  164.405   7.5335   76.099   6.6718   73.718   9.7256   78.216   9.1697  161.680   11.132  167.130   10.153 -5.450104 15.06692 
1 1 1  -23    6   58 o   87.954   13.029   24.574   6.1511   16.340   8.5565   33.380   8.8487   70.111   20.964  105.797   15.478 -35.68600 26.05870 
1 1 1  -23    6   59 o   83.471   16.199   23.726   7.2984   23.941   12.609   23.618   8.9502   81.576   25.653   85.365   19.789 -3.788834 32.39846 
1 1 1  -23    6   60 o   44.539   21.267 -11.6126   14.331 -11.6126   14.331   0.0000   0.0000   44.539   21.267  ?   ?       ?      ? 
1 1 1  -23    6   62 f   92.415   19.170   34.645   10.280   38.378   14.442   30.811   14.636   98.792   26.503   86.038   27.704 12.75401 38.33964 
1 1 1  -23    6   63 o   59.081   14.545   11.321   6.6016   21.583   9.3817   1.2570   9.2912   75.283   21.805   42.878   19.257 32.40585 29.09093 
1 1 1  -23    7    1 o  412.316   5.9016  459.716   13.146  452.184   18.661  467.137   18.523  408.959   8.4445  415.672   8.2465 -6.713562 11.80316 
1 1 1  -23    7    2 o  412.102   5.9026  459.207   13.142  449.431   18.589  468.976   18.583  407.713   8.4373  416.490   8.2569 -8.776886 11.80524 
1 1 1  -23    7    3 o  582.371   7.5177  917.171   23.649  923.219   33.945  911.465   32.967  584.230   10.752  580.513   10.509 3.716797 15.03536 
1 1 1  -23    7    4 o  655.340   11.801  1162.74   41.776  1135.14   58.179  1192.12   60.025  647.321   16.633  663.358   16.746 -16.03638 23.60201 
1 1 1  -23    7    5 o  845.133   14.735  1936.99   67.263  1964.86   96.863  1911.04   93.475  850.963   21.065  839.302   20.611 11.66095 29.47075 
1 1 1  -23    7    6 o  379.174   6.9925  381.484   13.386  368.935   16.132  409.234   23.988  369.409   8.0814  388.940   11.414 -19.53006 13.98503 
1 1 1  -23    7    7 o  391.280   7.0836  411.580   14.157  406.568   17.333  421.622   24.535  387.785   8.2719  394.774   11.502 -6.989410 14.16716 
1 1 1  -23    7    8 o  711.112   12.535  1368.42   48.165   0.0000   0.0000  1368.42   48.165  ?   ?   711.112   12.535      ?      ? 
1 1 1  -23    7    9 o  772.521   9.5704  1614.77   39.940  1586.59   55.697  1644.60   57.306  765.593   13.463  779.448   13.606 -13.85504 19.14086 
1 1 1  -23    7   10 o  382.473   5.7084  395.447   11.796  384.549   16.576  406.628   16.789  377.133   8.1338  387.813   8.0115 -10.67969 11.41677 
1 1 1  -23    7   11 o  505.180   6.7866  688.464   18.499  658.583   25.332  722.606   27.078  493.470   9.5000  516.890   9.6945 -23.41928 13.57322 
1 1 1  -23    7   12 o  1179.92   14.208  3777.38   90.563  3720.39  126.219  3837.84  130.015  1170.79   19.951  1189.05   20.235 -18.25879 28.41630 
1 1 1  -23    7   13 o  261.283   5.2751  184.747   7.4344  181.372   10.787  187.801   10.260  259.002   7.7076  263.564   7.2042 -4.561676 10.55018 
1 1 1  -23    7   14 o  384.019   8.1295  398.760   16.870   0.0000   0.0000  398.760   16.870  ?   ?   384.019   8.1295      ?      ? 
1 1 1  -23    7   15 o  729.217   9.1247  1438.21   35.932  1402.18   49.724  1477.58   51.981  719.682   12.786  738.752   13.021 -19.06946 18.24944 
1 1 1  -23    7   16 o  647.196   11.727  1133.56   41.012  1133.56   41.012   0.0000   0.0000  647.196   11.727  ?   ?       ?      ? 
1 1 1  -23    7   17 o  444.594   6.3543  534.456   15.264  522.341   21.430  546.930   21.746  439.479   9.0239  449.708   8.9486 -10.22888 12.70857 
1 1 1  -23    7   18 o  389.954   5.9617  410.953   12.555  418.425   18.117  404.049   17.416  393.358   8.5233  386.549   8.3378 6.809357 11.92334 
1 1 1  -23    7   19 o  318.368   5.6680  273.617   9.7414  257.901   13.488  290.753   14.084  308.826   8.0825  327.911   7.9486 -19.08490 11.33610 
1 1 1  -23    7   20 o   75.308   12.264   15.401   5.5937   3.6094   7.8491   27.569   7.9737   49.749   19.687  100.867   14.629 -51.11776 24.52701 
1 1 1  -23    7   21 o  300.299   5.8068  243.811   9.4184  233.490   13.208  254.486   13.434  293.832   8.3187  306.766   8.1041 -12.93414 11.61370 
1 1 1  -23    7   22 o  241.558   8.6657  157.816   11.311   0.0000   0.0000  157.816   11.311  ?   ?   241.558   8.6657      ?      ? 
1 1 1  -23    7   23 o  108.416   11.613   32.138   6.5753   26.131   8.9504   39.180   9.6914   96.608   17.801  120.225   14.918 -23.61610 23.22528 
1 1 1  -23    7   24 o  191.942   7.0463   99.432   7.2856   88.902   10.043  111.131   10.585  181.234   10.255  202.649   9.6665 -21.41521 14.09260 
1 1 1  -23    7   25 o  323.538   6.0158  283.141   10.516  280.411   14.723  285.986   15.026  321.948   8.4627  325.128   8.5524 -3.180206 12.03166 
1 1 1  -23    7   26 o  420.109   6.4078  476.810   14.533  460.763   20.027  494.660   21.122  412.659   8.9810  427.558   9.1422 -14.89804 12.81554 
1 1 1  -23    7   27 o  542.008   7.3306  795.434   21.470  794.613   30.464  796.245   30.262  541.726   10.407  542.290   10.327 -0.5647583 14.66128 
1 1 1  -23    7   28 o  474.179   6.7227  608.177   17.217  588.595   23.887  629.350   24.837  466.246   9.4809  482.112   9.5337 -15.86584 13.44543 
1 1 1  -23    7   29 o  514.995   7.0776  717.958   19.689  699.786   27.394  737.374   28.316  508.264   9.9744  521.726   10.044 -13.46225 14.15525 
1 1 1  -23    7   30 o  439.063   6.4813  522.005   15.375  524.738   21.934  519.363   21.560  440.187   9.2211  437.939   9.1104 2.248169 12.96261 
1 1 1  -23    7   31 o  403.025   8.8392  440.825   19.245  443.018   27.562  438.739   26.884  403.984   12.626  402.065   12.374 1.918701 17.67842 
1 1 1  -23    7   32 o  434.317   12.749  512.387   29.920   0.0000   0.0000  512.387   29.920  ?   ?   434.317   12.749      ?      ? 
1 1 1  -23    7   34 o  493.074   9.7600  662.193   26.001  659.910   37.028  664.414   36.520  492.202   13.922  493.947   13.683 -1.745331 19.52005 
1 1 1  -23    7   35 o  296.578   5.8596  238.098   9.3839  246.574   13.589  230.372   12.974  301.611   8.3380  291.545   8.2351 10.06592 11.71916 
1 1 1  -23    7   36 o   66.139   11.436   10.272   5.3796  -3.9556   7.6685   24.057   7.5486   38.456   17.362   93.821   14.889 -55.36472 22.87212 
1 1 1  -23    7   37 o  119.495   9.2658   39.109   5.9489   37.655   8.8000   40.332   8.0731  117.369   13.875  121.621   12.284 -4.252571 18.53164 
1 1 1  -23    7   38 o  166.343   7.1209   75.284   6.3862   68.918   8.9636   81.846   9.1008  159.160   10.422  173.525   9.7058 -14.36586 14.24171 
1 1 1  -23    7   39 o  153.523   7.4839   64.365   6.1604   62.414   9.2280   65.934   8.2742  151.338   11.284  155.708   9.8339 -4.369873 14.96789 
1 1 1  -23    7   40 o  205.210   6.2134  114.460   6.8775  105.524   9.6299  123.764   9.8257  196.998   9.0463  213.423   8.5199 -16.42450 12.42675 
1 1 1  -23    7   41 f  215.540   5.9695  125.737   6.9349  134.741   10.265  118.178   9.4059  222.590   8.5343  208.490   8.3488 14.09973 11.93892 
1 1 1  -23    7   42 o   56.726   13.449   8.1115   5.2254   2.4563   7.8345   12.643   7.0131   47.094   19.298   66.358   18.736 -19.26407 26.89754 
1 1 1  -23    7   43 o  343.748   5.8953  321.703   10.945  315.366   15.626  327.807   15.335  340.376   8.4956  347.120   8.1758 -6.743774 11.79062 
1 1 1  -23    7   44 o   93.857   10.820   24.610   5.3566   27.589   7.9346   22.115   7.2610   99.779   14.716   87.935   15.865 11.84480 21.63916 
1 1 1  -23    7   45 o  208.051   6.1297  117.353   6.8573  125.753   10.337  110.752   9.1638  214.596   8.9143  201.506   8.4159 13.08966 12.25939 
1 1 1  -23    7   46 o  128.525   8.5112   45.714   5.8894   42.930   8.5179   48.264   8.1520  124.628   12.648  132.423   11.392 -7.795937 17.02235 
1 1 1  -23    7   47 o  137.611   8.1436   53.426   5.9092   42.562   8.6707   62.848   8.0747  123.873   12.954  151.350   9.8732 -27.47688 16.28721 
1 1 1  -23    7   48 o   95.799   10.542   25.664   5.4422   27.670   8.0719   23.991   7.3688   99.176   15.062   92.422   14.755 6.753944 21.08489 
1 1 1  -23    7   49 o   64.844   13.849   12.372   5.2625   13.387   7.6229   11.447   7.2739   67.095   19.719   62.593   19.452 4.501812 27.69898 
1 1 1  -23    7   50 o  233.913   6.0365  150.315   7.6128  148.047   11.097  152.331   10.463  232.109   8.8475  235.716   8.2147 -3.607178 12.07308 
1 1 1  -23    7   51 o  141.419   7.9569   56.008   6.0218   47.983   8.6040   63.714   8.4309  131.086   12.147  151.752   10.281 -20.66595 15.91379 
1 1 1  -23    7   52 o   97.402   11.329   27.598   5.7742   32.561   8.3543   23.058   7.9897  106.999   14.449   87.804   17.454 19.19549 22.65895 
1 1 1  -23    7   53 o  105.217   10.288   31.591   5.8364   32.598   8.5925   30.728   7.9525  106.624   14.913  103.809   14.177 2.814926 20.57643 
1 1 1  -23    7   54 o  170.209   7.1619   80.748   6.5667   79.600   9.6310   81.745   8.9768  168.860   10.555  171.558   9.6833 -2.697876 14.32389 
1 1 1  -23    7   55 o  186.908   7.0114   97.019   7.0594   99.314   10.451   95.093   9.5738  188.755   10.246  185.061   9.5737 3.694107 14.02281 
1 1 1  -23    7   56 o   54.112   14.272   6.3802   6.0104   13.517   8.8423   0.2507   8.1946   65.433   21.564   42.792   18.700 22.64169 28.54309 
1 1 1  -23    7   57 o  122.421   9.7496   43.575   6.4021   40.762   9.4197   45.990   8.7278  118.144   14.755  126.699   12.748 -8.555016 19.49925 
1 1 1  -23    7   58 f   46.928   13.751   3.0585   6.0037  -2.2797   8.6209   8.0857   8.3659   40.142   18.237   53.714   20.586 -13.57189 27.50205 
1 1 1  -23    7   59 o  109.752   14.456   40.225   9.5816   79.302   13.986   5.6667   13.153  163.098   15.870   56.406   24.166 106.6917 28.91138 
1 1 1  -23    7   61 o   85.456   18.165   31.079   10.320   44.910   14.233   15.745   14.986  107.569   24.967   63.342   26.392 44.22660 36.33029 
1 1 1  -23    7   62 o   37.278   12.894 -16.2307   7.5149  -1.2061   13.050 -23.6855   9.1920   47.176   21.802   27.379   13.774 19.79708 25.78827 
1 1 1  -23    8    1 o  562.526   7.3495  855.975   22.339  847.293   31.618  864.630   31.567  559.674   10.455  565.378   10.332 -5.704468 14.69901 
1 1 1  -23    8    2 o  161.230   5.9392   70.013   5.1285   72.283   7.8451   68.319   6.7770  163.496   8.8798  158.964   7.8895 4.532089 11.87838 
1 1 1  -23    8    3 o  653.294   11.863  1155.69   41.843  1176.58   60.636  1136.71   57.815  658.894   17.030  647.694   16.519 11.19989 23.72575 
1 1 1  -23    8    4 o  781.813   13.798  1656.32   58.229  1695.49   84.672  1621.17   80.207  790.524   19.822  773.102   19.199 17.42169 27.59539 
1 1 1  -23    8    5 o  685.463   12.331  1273.23   45.654  1286.04   65.696  1261.26   63.491  688.769   17.651  682.157   17.224 6.612366 24.66253 
1 1 1  -23    8    6 o  173.796   7.9139   81.665   7.4322   0.0000   0.0000   81.665   7.4322  ?   ?   173.796   7.9139      ?      ? 
1 1 1  -23    8    7 o  393.418   7.2165  410.949   14.329  397.781   17.266  440.090   25.685  383.554   8.3305  403.283   11.786 -19.72809 14.43303 
1 1 1  -23    8    8 o  728.508   9.1205  1433.73   35.853  1385.23   49.139  1488.94   52.428  715.380   12.712  741.636   13.082 -26.25568 18.24095 
1 1 1  -23    8    9 o  505.824   6.8102  691.107   18.601  667.279   25.724  717.221   26.929  496.700   9.5841  514.947   9.6777 -18.24695 13.62035 
1 1 1  -23    8   10 o  416.982   6.0675  469.985   13.668  455.277   19.125  485.337   19.539  410.315   8.6259  423.648   8.5353 -13.33337 12.13496 
1 1 1  -23    8   11 o  657.465   8.3632  1169.88   29.711  1167.55   42.141  1172.19   41.896  656.808   11.874  658.121   11.781 -1.312561 16.72640 
1 1 1  -23    8   12 o  491.742   6.7305  654.095   17.883  648.533   25.363  659.594   25.219  489.659   9.5854  493.825   9.4509 -4.165527 13.46108 
1 1 1  -23    8   13 o  465.387   6.5016  585.757   16.346  586.670   23.385  584.885   22.858  465.737   9.2919  465.038   9.0963 0.6991882 13.00321 
1 1 1  -23    8   14 o  185.869   6.0121   93.458   6.0309   92.647   8.7286   94.199   8.3425  185.093   8.7271  186.645   8.2716 -1.552399 12.02422 
1 1 1  -23    8   16 o  527.047   7.0867  751.343   20.176  754.259   28.946  748.588   28.136  528.034   10.145  526.060   9.8979 1.973022 14.17338 
1 1 1  -23    8   17 o  342.471   5.7178  316.943   10.570  297.288   14.757  337.655   15.148  331.568   8.2364  353.374   7.9331 -21.80560 11.43555 
1 1 1  -23    8   18 o   78.393   13.071   16.766   5.5844   24.976   8.4280   10.340   7.4562   94.517   17.132   62.268   19.744 32.24909 26.14107 
1 1 1  -23    8   19 o  751.105   9.4261  1525.94   38.212  1568.02   55.685  1488.48   52.533  760.851   13.544  741.359   13.113 19.49158 18.85221 
1 1 1  -23    8   22 o  471.722   6.7434  602.104   17.188  597.653   24.412  606.479   24.203  469.988   9.6123  473.456   9.4604 -3.467896 13.48682 
1 1 1  -23    8   23 o  509.103   7.0430  701.342   19.372  708.322   27.719  694.678   27.083  511.572   10.027  506.633   9.8929 4.939453 14.08592 
1 1 1  -23    8   24 o  293.438   5.9243  232.919   9.3918  226.367   13.214  239.608   13.351  289.265   8.4539  297.611   8.3018 -8.346344 11.84860 
1 1 1  -23    8   25 o   80.704   14.145   18.576   6.1846   21.661   8.5192   15.138   8.9927   87.625   18.569   73.782   21.342 13.84319 28.28936 
1 1 1  -23    8   26 o  439.633   6.4847  522.670   15.399  505.868   21.431  540.604   22.142  432.335   9.1735  446.932   9.1681 -14.59766 12.96948 
1 1 1  -23    8   27 o  283.504   5.8893  217.529   9.0212  221.241   12.767  213.828   12.749  285.923   8.2633  281.085   8.3935 4.837830 11.77853 
1 1 1  -23    8   28 o  162.709   7.3583   71.796   6.4595   76.565   9.1488   67.055   9.1216  168.117   10.071  157.302   10.731 10.81494 14.71668 
1 1 1  -23    8   29 o  281.342   5.8423  214.469   8.8731  205.993   12.648  222.684   12.452  275.848   8.4850  286.835   8.0335 -10.98679 11.68466 
1 1 1  -23    8   30 o  433.190   9.0800  509.410   21.251  511.937   30.359  506.982   29.757  434.228   12.939  432.153   12.743 2.074890 18.16010 
1 1 1  -23    8   31 o  630.065   11.637  1082.02   39.618  1069.37   55.853  1094.82   56.205  626.345   16.502  633.785   16.411 -7.440186 23.27354 
1 1 1  -23    8   33 o  400.871   8.8966  436.297   19.248  451.577   28.077  422.748   26.439  407.446   12.752  394.296   12.409 13.14978 17.79329 
1 1 1  -23    8   34 o  114.217   12.215   34.232   7.2891   30.309   9.0237   41.599   12.365  105.314   15.857  123.120   18.585 -17.80592 24.43035 
1 1 1  -23    8   35 o  345.348   5.9306  323.388   11.063  311.256   15.577  335.733   15.714  338.795   8.5087  351.901   8.2638 -13.10535 11.86122 
1 1 1  -23    8   36 o  236.346   6.1241  151.135   7.8062  138.873   10.741  164.861   11.364  226.201   8.7876  246.492   8.5320 -20.29016 12.24820 
1 1 1  -23    8   37 o  305.308   5.7915  252.915   9.5519  244.571   13.441  261.427   13.576  300.206   8.2858  310.409   8.0940 -10.20349 11.58308 
1 1 1  -23    8   38 o  270.323   5.7653  198.470   8.4105  194.421   12.136  202.213   11.667  267.632   8.3914  273.013   7.9083 -5.380798 11.53068 
1 1 1  -23    8   39 o  277.417   5.8220  209.412   8.7094  198.859   12.502  219.361   12.139  270.558   8.5516  284.276   7.9026 -13.71793 11.64393 
1 1 1  -23    8   40 o  358.340   5.9703  349.039   11.558  350.668   16.532  347.482   16.166  359.138   8.5185  357.542   8.3673 1.595825 11.94055 
1 1 1  -23    8   41 o  134.647   8.0038   49.540   5.8178   50.390   8.4450   48.773   8.0260  135.717   11.515  133.578   11.119 2.138855 16.00764 
1 1 1  -23    8   42 o  137.375   8.0106   51.416   5.9208   54.058   8.8739   49.296   7.9489  140.484   11.690  134.265   10.956 6.219315 16.02126 
1 1 1  -23    8   43 o   96.674   11.005   26.442   5.5747   23.237   7.9629   29.523   7.8070   89.939   17.008  103.409   13.971 -13.46984 22.01045 
1 1 1  -23    8   44 o   93.787   11.124   24.504   5.4727   29.405   8.2821   20.705   7.2914  102.852   14.902   84.723   16.520 18.12827 22.24807 
1 1 1  -23    8   45 o   74.157   12.611   16.108   5.3977   8.1765   7.7988   23.401   7.4783   56.700   20.199   91.615   15.106 -34.91480 25.22259 
1 1 1  -23    8   46 o  200.161   6.3428  109.618   6.8360  108.893   10.082  110.235   9.3005  199.443   9.3549  200.880   8.5681 -1.436951 12.68565 
1 1 1  -23    8   47 o  196.260   6.4507  104.561   6.7904  113.648   10.394   97.794   8.9693  203.525   9.4505  188.994   8.7826 14.53192 12.90142 
1 1 1  -23    8   48 o   80.055   12.754   18.784   5.3941   22.936   8.0240   15.360   7.2860   88.328   17.430   71.782   18.624 16.54609 25.50827 
1 1 1  -23    8   49 o  101.357   10.357   28.890   5.6549   32.233   8.2422   25.917   7.7728  106.992   14.256   95.722   15.027 11.26953 20.71362 
1 1 1  -23    8   50 o  199.420   6.3568  109.416   6.8339  108.894   9.9989  109.873   9.3617  198.848   9.3056  199.993   8.6627 -1.145157 12.71362 
1 1 1  -23    8   51 o  388.540   6.2995  414.792   13.203  429.304   19.365  402.186   18.048  394.738   9.0788  382.342   8.7356 12.39636 12.59903 
1 1 1  -23    8   52 o   61.111   14.204   10.591   5.7464   15.771   8.0845   5.3010   8.1694   71.479   20.094   50.742   20.083 20.73683 28.40898 
1 1 1  -23    8   53 o  143.745   8.1645   57.962   6.3367   58.407   9.1593   57.553   8.7760  144.177   11.757  143.314   11.332 0.8628693 16.32907 
1 1 1  -23    8   54 o  126.484   9.0331   45.743   6.0931   41.929   9.1260   48.810   8.1845  121.122   13.943  131.846   11.488 -10.72366 18.06619 
1 1 1  -23    8   55 o  120.837   9.5776   41.929   6.2307   39.726   9.0322   43.929   8.6063  117.445   14.232  124.229   12.820 -6.784492 19.15517 
1 1 1  -23    8   56 o   51.760   14.513   6.1238   5.9962   6.1085   9.2187   6.1350   7.8944   52.690   21.173   50.829   19.856 1.860924 29.02686 
1 1 1  -23    8   57 o   75.296   12.759   18.294   6.1124   4.5199   8.9047   30.567   8.4053   49.142   20.398  101.451   15.332 -52.30905 25.51826 
1 1 1  -23    8   58 o  174.988   10.039   88.650   8.5965   92.770   16.011   86.982   10.190  174.849   16.946  175.126   10.768 -0.2770691 20.07769 
1 1 1  -23    8   59 o  140.132   13.407   56.817   11.134  -4.7117   14.141  157.185   18.061   48.771   22.594  231.492   14.439 -182.7210 26.81339 
1 1 1  -23    8   61 o   94.357   17.505   34.271   9.7410   20.495   13.569   48.919   13.992   71.503   26.471  117.212   22.913 -45.70847 35.01076 
1 1 1  -23    8   62 o   50.196   14.985   6.7209   6.9292   7.6636   10.449   5.9808   9.2578   51.773   21.834   48.618   20.530 3.155331 29.97023 
1 1 1  -23    9    1 o  717.409   9.0193  1393.10   34.962  1375.07   49.126  1411.61   49.769  712.705   12.756  722.113   12.754 -9.407959 18.03860 
1 1 1  -23    9    2 o  366.084   7.4014  360.215   13.208  368.018   24.901  357.160   15.580  368.723   12.497  363.445   7.9333 5.277588 14.80283 
1 1 1  -23    9    3 o  287.482   8.3282  224.729   12.869  200.811   18.376  247.748   18.027  272.371   12.485  302.594   11.025 -30.22357 16.65641 
1 1 1  -23    9    4 o  772.177   13.711  1610.30   57.019  1526.35   76.897  1712.84   84.983  750.005   18.974  794.350   19.798 -44.34552 27.42235 
1 1 1  -23    9    5 o  957.341   11.688  2480.58   60.397  2407.22   83.098  2562.73   87.935  942.399   16.318  972.282   16.737 -29.88373 23.37541 
1 1 1  -23    9    6 o  189.812   8.0673   99.547   7.1018   93.491   14.159  101.582   8.2091  185.795   14.103  193.829   7.8377 -8.033875 16.13468 
1 1 1  -23    9    7 o  762.595   9.5036  1574.57   39.161  1558.69   55.094  1590.79   55.674  758.710   13.438  766.480   13.442 -7.770386 19.00712 
1 1 1  -23    9    8 o  445.679   7.8293  539.121   17.963  542.974   22.289  531.982   30.341  448.060   9.2061  443.297   12.666 4.762726 15.65852 
1 1 1  -23    9    9 o  243.854   5.5871  160.941   7.3425  158.518   10.739  163.068   10.062  242.121   8.2081  245.586   7.5821 -3.465012 11.17411 
1 1 1  -23    9   10 o  685.053   8.6780  1270.30   32.123  1266.60   45.553  1273.95   45.307  684.057   12.323  686.050   12.221 -1.992432 17.35594 
1 1 1  -23    9   11 o  250.827   8.4175  170.128   11.409  170.128   11.409   0.0000   0.0000  250.827   8.4175  ?   ?       ?      ? 
1 1 1  -23    9   12 o  388.589   6.0052  408.435   12.598  405.764   18.183  410.900   17.470  387.359   8.6871  389.818   8.2935 -2.459229 12.01032 
1 1 1  -23    9   13 o  256.234   5.6503  177.553   7.8058  177.125   11.423  177.927   10.692  255.938   8.2594  256.530   7.7128 -0.5919342 11.30067 
1 1 1  -23    9   14 o  554.453   7.3950  831.374   22.143  840.794   31.946  822.664   30.719  557.464   10.605  551.442   10.309 6.022400 14.79007 
1 1 1  -23    9   15 o  235.576   5.9424  150.466   7.5348  145.047   11.041  155.191   10.308  231.584   8.8228  239.567   7.9630 -7.982758 11.88488 
1 1 1  -23    9   16 o  142.995   7.9380   55.168   6.1036   57.002   9.1566   53.702   8.1881  145.117   11.677  140.874   10.756 4.242615 15.87604 
1 1 1  -23    9   17 o  518.848   7.0929  728.419   19.884  719.469   28.192  737.279   28.050  515.670   10.117  522.026   9.9439 -6.356201 14.18590 
1 1 1  -23    9   18 o  329.025   5.9425  292.801   10.549  271.396   14.790  314.965   15.050  316.775   8.6402  341.275   8.1609 -24.50003 11.88503 
1 1 1  -23    9   20 o   64.832   14.760   10.765   6.0202   14.700   8.6385   7.0484   8.3943   72.716   20.884   56.948   20.865 15.76781 29.52082 
1 1 1  -23    9   21 o  348.124   5.9994  327.732   11.265  329.349   16.452  326.306   15.458  348.919   8.7256  347.328   8.2361 1.591827 11.99871 
1 1 1  -23    9   22 o  522.725   7.1503  739.592   20.196  728.225   28.488  751.076   28.635  518.682   10.164  526.767   10.060 -8.085144 14.30053 
1 1 1  -23    9   23 o  438.759   6.5019  520.654   15.401  526.798   22.331  515.081   21.268  441.214   9.3663  436.304   9.0207 4.909424 13.00387 
1 1 1  -23    9   24 o   96.399   12.441   25.877   6.2971   21.807   8.9314   29.901   8.8796   87.838   19.340  104.959   15.656 -17.12121 24.88295 
1 1 1  -23    9   25 o  325.565   5.9536  286.944   10.467  275.518   14.819  298.319   14.786  319.084   8.5949  332.046   8.2408 -12.96136 11.90727 
1 1 1  -23    9   26 o  483.672   6.8310  632.953   17.836  645.649   25.902  621.505   24.596  488.263   9.8174  479.082   9.5011 9.180481 13.66208 
1 1 1  -23    9   27 o  369.163   6.1509  368.558   12.264  355.046   17.031  383.107   17.673  362.143   8.7032  376.183   8.6941 -14.03989 12.30179 
1 1 1  -23    9   28 o  566.164   7.5849  868.703   23.203  855.184   32.640  882.513   32.991  561.707   10.754  570.620   10.700 -8.913757 15.16976 
1 1 1  -23    9   29 o  150.889   11.058   61.944   9.0089   58.604   12.628   65.405   12.856  146.728   15.927  155.051   15.345 -8.322647 22.11610 
1 1 1  -23    9   30 o  310.464   8.2080  261.731   13.759  249.775   19.473  273.649   19.442  303.347   11.880  317.580   11.329 -14.23282 16.41594 
1 1 1  -23    9   31 o  127.671   18.316   44.595   12.636   0.0000   0.0000   44.595   12.636  ?   ?   127.671   18.316      ?      ? 
1 1 1  -23    9   32 o  384.622   8.7103  402.395   18.094  394.595   25.831  409.910   25.354  380.915   12.550  388.329   12.082 -7.414185 17.42064 
1 1 1  -23    9   33 o  402.150   8.9036  440.196   19.302  438.513   28.262  441.667   26.425  401.327   13.032  402.972   12.135 -1.644775 17.80723 
1 1 1  -23    9   34 o  226.932   6.3128  140.277   7.7082  128.496   11.072  151.355   10.737  217.598   9.4167  236.266   8.4102 -18.66875 12.62562 
1 1 1  -23    9   35 o   66.779   14.497   11.779   5.8501   16.782   8.8072   7.8288   7.8261   76.589   20.761   56.970   20.240 19.61914 28.99446 
1 1 1  -23    9   36 o  119.191   9.7468   41.020   5.9278   28.821   9.0142   50.315   7.8684  102.417   16.288  135.966   10.710 -33.54939 19.49351 
1 1 1  -23    9   37 o   60.571   14.202   9.0581   5.5318   13.638   8.3715   5.5082   7.3701   69.566   20.721   51.577   19.427 17.98818 28.40375 
1 1 1  -23    9   38 o  126.980   8.6376   43.236   5.8644   53.026   8.9529   35.880   7.7611  139.376   11.887  114.583   12.535 24.79277 17.27515 
1 1 1  -23    9   39 o  131.365   8.5191   46.834   5.9589   49.265   9.3523   45.173   7.7314  134.096   12.907  128.635   11.123 5.460388 17.03814 
1 1 1  -23    9   40 o   40.108   12.178  -4.2896   5.2062   4.8297   7.8224 -11.5411   6.9755   51.000   19.809   29.216   14.171 21.78355 24.35592 
1 1 1  -23    9   41 o  248.911   5.9196  167.502   7.9252  179.244   11.923  158.209   10.607  256.630   8.5982  241.193   8.1387 15.43698 11.83924 
1 1 1  -23    9   42 o   70.259   14.031   14.304   5.5671   13.484   7.9319   15.100   7.8156   68.452   20.114   72.066   19.566 -3.614586 28.06100 
1 1 1  -23    9   43 o   56.918   13.693   8.0681   5.4965   1.4089   8.3600   13.138   7.2948   46.563   19.578   67.273   19.149 -20.70985 27.38552 
1 1 1  -23    9   44 o   75.225   11.649   17.231   5.4321   1.6817   8.0774   30.071   7.3399   46.159   19.316  104.290   13.024 -58.13090 23.29708 
1 1 1  -23    9   45 o   63.218   14.284   11.239   5.5232   13.104   8.0833   9.6047   7.5645   67.167   20.442   59.270   19.956 7.897026 28.56767 
1 1 1  -23    9   46 o  167.614   6.9425   77.304   6.2576   74.928   9.2312   79.325   8.5117  165.080   10.348  170.149   9.2576 -5.069031 13.88499 
1 1 1  -23    9   47 o   40.974   12.172  -6.2166   5.4294   7.5898   8.1206 -17.3777   7.3013   55.519   20.493   26.428   13.138 29.09065 24.34308 
1 1 1  -23    9   48 o  120.116   9.0701   40.972   5.7717   34.117   8.5032   46.830   7.8596  110.175   14.283  130.058   11.183 -19.88315 18.14014 
1 1 1  -23    9   49 o   52.637   13.940   6.6239   5.4257   4.1388   8.2445   8.5225   7.2061   49.452   19.970   55.822   19.456 -6.370213 27.88072 
1 1 1  -23    9   50 o  140.387   8.1576   54.929   6.1385   54.441   9.2573   55.311   8.2007  139.555   12.276  141.218   10.747 -1.663345 16.31520 
1 1 1  -23    9   51 o  211.466   6.4564  123.510   7.3671  120.779   10.632  126.033   10.218  209.078   9.4103  213.854   8.8423 -4.776108 12.91279 
1 1 1  -23    9   52 o   78.400   12.743   17.089   5.8734   31.783   9.0918   6.5655   7.6945  104.768   16.060   52.032   19.790 52.73623 25.48602 
1 1 1  -23    9   53 o  242.575   6.2629  162.201   8.1897  169.842   12.099  155.739   11.126  247.716   9.0384  237.433   8.6721 10.28325 12.52587 
1 1 1  -23    9   54 o  147.552   8.2972   61.026   6.6007   65.365   9.7391   57.340   8.9769  152.333   11.832  142.771   11.636 9.561356 16.59448 
1 1 1  -23    9   55 o   98.965   12.018   28.952   6.1070   41.236   9.2584   19.492   8.1252  119.326   14.359   78.604   19.277 40.72179 24.03659 
1 1 1  -23    9   56 o   54.144   14.469   7.3955   6.1083   2.1847   9.0089   11.830   8.3104   46.680   20.000   61.607   20.916 -14.92732 28.93892 
1 1 1  -23    9   57 o   85.118   14.292   23.876   6.4770   23.120   9.2604   24.599   9.0624   83.423   20.653   86.812   19.762 -3.389664 28.58446 
1 1 1  -23    9   58 o   72.526   19.206   18.298   10.126   18.250   15.267   18.336   13.530   72.501   27.803   72.550   26.503 -0.4909515E-01 38.41176 
1 1 1  -23    9   60 o   52.809   16.456   5.1181   9.6353  -4.4077   14.601   12.466   12.824   46.356   21.943   59.262   24.529 -12.90563 32.91175 
1 1 1  -23    9   61 f   62.619   16.641   14.351   7.6731   11.297   13.192   15.912   9.4328   59.188   24.720   66.050   22.284 -6.862358 33.28154 
1 1 1  -23   10    1 o  485.731   8.5348  654.227   21.227  586.937   35.304  692.329   26.565  465.540   14.034  505.921   9.7173 -40.38089 17.06960 
1 1 1  -23   10    2 o  350.639   8.7465  331.672   16.495  343.919   24.723  321.847   22.145  356.428   12.837  344.849   11.884 11.57867 17.49290 
1 1 1  -23   10    3 o  819.728   14.510  1824.06   64.260  1793.69   89.855  1855.86   91.935  812.758   20.459  826.698   20.580 -13.93927 29.01936 
1 1 1  -23   10    4 o  376.550   8.2667  383.405   16.821   0.0000   0.0000  383.405   16.821  ?   ?   376.550   8.2667      ?      ? 
1 1 1  -23   10    5 o  586.511   7.7243  930.766   24.477  929.024   34.885  932.455   34.353  585.964   11.017  587.059   10.829 -1.095154 15.44851 
1 1 1  -23   10    6 o  419.310   6.2637  475.768   14.184  463.325   20.233  487.792   19.889  413.907   9.0461  424.712   8.6663 -10.80508 12.52748 
1 1 1  -23   10    7 o  346.243   7.4543  329.309   12.792  311.712   22.989  337.201   15.396  339.346   12.537  353.141   8.0681 -13.79480 14.90870 
1 1 1  -23   10    8 o  915.318   11.256  2266.52   55.607  2195.49   76.382  2346.63   81.111  900.122   15.704  930.514   16.131 -30.39160 22.51266 
1 1 1  -23   10    9 o  300.507   11.441  244.369   18.578   0.0000   0.0000  244.369   18.578  ?   ?   300.507   11.441      ?      ? 
1 1 1  -23   10   10 o  163.091   6.9504   72.085   6.0836   70.735   9.1069   73.174   8.1753  161.698   10.423  164.485   9.1979 -2.787491 13.90084 
1 1 1  -23   10   11 o  418.499   6.2579  473.789   14.148  464.124   20.092  483.296   19.926  414.258   8.9754  422.739   8.7227 -8.481018 12.51570 
1 1 1  -23   10   12 f  556.966   7.4301  839.391   22.360  833.513   31.769  845.162   31.477  555.027   10.593  558.904   10.422 -3.877808 14.86024 
1 1 1  -23   10   13 o  379.701   6.0498  389.899   12.399  390.168   17.962  389.655   17.138  379.818   8.7515  379.585   8.3555 0.2329407 12.09968 
1 1 1  -23   10   14 o  384.176   6.1289  399.331   12.717  393.038   18.181  405.360   17.794  381.204   8.8263  387.148   8.5058 -5.943909 12.25771 
1 1 1  -23   10   15 o  407.082   6.2625  448.155   13.768  428.049   19.331  468.854   19.615  397.810   8.9927  416.354   8.7182 -18.54355 12.52501 
1 1 1  -23   10   16 o  220.486   6.5686  132.759   7.7505  118.316   11.349  145.382   10.610  209.119   10.043  231.853   8.4686 -22.73476 13.13730 
1 1 1  -23   10   18 o  239.190   6.3005  154.511   8.0987  157.047   12.150  152.484   10.864  240.940   9.3318  237.440   8.4677 3.499786 12.60103 
1 1 1  -23   10   19 o  116.910   10.613   39.422   6.1421   25.759   8.9595   51.537   8.4366   95.853   17.958  137.967   11.316 -42.11462 21.22591 
1 1 1  -23   10   20 o  300.870   5.9015  244.945   9.5688  243.972   14.043  245.789   13.073  300.298   8.6542  301.442   8.0259 -1.143738 11.80302 
1 1 1  -23   10   21 o   80.351   13.957   18.488   6.0282   15.669   9.0401   20.745   8.0892   74.921   21.314   85.781   18.024 -10.85963 27.91325 
1 1 1  -23   10   22 o  289.839   5.9513  227.290   9.2992  226.892   13.617  227.639   12.729  289.588   8.7022  290.090   8.1206 -0.5018005 11.90260 
1 1 1  -23   10   23 o   65.787   14.773   11.324   5.9815   14.587   8.6793   8.3728   8.2550   72.420   20.972   59.154   20.812 13.26616 29.54619 
1 1 1  -23   10   24 o  202.933   6.8476  110.676   7.4761  120.453   11.235  102.905   10.016  210.909   9.8576  194.956   9.5073 15.95288 13.69525 
1 1 1  -23   10   25 o  521.490   7.1853  736.765   20.245  733.573   28.861  739.856   28.405  520.365   10.264  522.616   10.058 -2.251343 14.37065 
1 1 1  -23   10   26 o   87.167   13.351   21.554   6.0696   21.039   9.1720   21.955   8.0957   86.082   20.085   88.252   17.594 -2.169579 26.70109 
1 1 1  -23   10   27 o  106.077   13.385   32.649   7.2002   37.929   9.4071   25.180   11.188  118.124   14.738   94.029   22.349 24.09468 26.77052 
1 1 1  -23   10   28 o  562.395   10.706  860.507   32.533  858.108   46.340  862.838   45.684  561.589   15.270  563.201   15.011 -1.611938 21.41298 
1 1 1  -23   10   29 o  336.755   8.4474  308.011   15.343  305.631   22.344  310.135   21.105  335.471   12.326  338.039   11.554 -2.568115 16.89472 
1 1 1  -23   10   30 o  389.249   12.222  411.712   25.707   0.0000   0.0000  411.712   25.707  ?   ?   389.249   12.222      ?      ? 
1 1 1  -23   10   31 o  333.830   8.7260  303.563   15.708  282.658   22.313  324.099   22.115  322.334   12.811  345.327   11.852 -22.99219 17.45204 
1 1 1  -23   10   32 o   98.848   15.731   29.787   8.4872   15.718   13.324   39.392   11.010   77.738   26.483  119.959   16.985 -42.22101 31.46171 
1 1 1  -23   10   33 o  152.682   7.8346   62.509   6.4105   74.943   9.6734   52.772   8.5600  166.061   10.780  139.304   11.372 26.75786 15.66920 
1 1 1  -23   10   34 o  201.186   6.3734  108.799   6.8887  120.002   10.452  100.196   9.1593  210.232   9.2009  192.139   8.8218 18.09296 12.74677 
1 1 1  -23   10   35 o  181.523   7.0015   90.235   6.8170   81.449   9.9185   98.100   9.3850  173.004   10.610  190.042   9.1390 -17.03784 14.00305 
1 1 1  -23   10   36 o  349.169   5.9729  330.821   11.260  333.494   16.292  328.376   15.580  350.489   8.6021  347.849   8.2888 2.640228 11.94570 
1 1 1  -23   10   37 o   58.055   13.838   8.1051   5.5954   1.6470   8.2732   13.550   7.5964   47.174   19.628   68.936   19.512 -21.76233 27.67688 
1 1 1  -23   10   38 o  165.507   7.3965   75.440   6.5461   66.838   9.5881   82.951   8.9590  156.448   11.342  174.565   9.4976 -18.11699 14.79306 
1 1 1  -23   10   39 o  217.913   6.2869  129.849   7.3624  121.796   10.777  136.897   10.082  211.448   9.4319  224.378   8.3151 -12.92992 12.57384 
1 1 1  -23   10   40 o  169.046   7.3192   78.053   6.6358   77.763   10.002   78.281   8.8684  168.656   10.975  169.436   9.6862 -0.7804260 14.63835 
1 1 1  -23   10   41 o  241.488   5.9924  159.305   7.7825  152.151   11.420  165.509   10.634  236.304   8.9434  246.672   7.9781 -10.36739 11.98473 
1 1 1  -23   10   42 o   55.174   13.528   7.4651   5.3298   1.1187   8.3140   11.893   6.9444   46.077   19.456   64.272   18.802 -18.19490 27.05656 
1 1 1  -23   10   43 o  247.055   5.8700  165.437   7.7891  175.349   11.804  157.792   10.366  253.481   8.6179  240.629   7.9723 12.85135 11.73995 
1 1 1  -23   10   44 o  120.969   9.1316   40.516   5.9223   40.278   8.9323   40.704   7.9112  120.467   13.722  121.471   12.053 -1.004059 18.26329 
1 1 1  -23   10   45 f   79.991   12.926   18.840   5.4377   19.024   8.1806   18.694   7.2783   80.103   19.158   79.878   17.358 0.2248840 25.85181 
1 1 1  -23   10   46 o  191.375   6.6426  100.735   6.8265   98.649   10.178  102.441   9.2038  189.388   9.9450  193.362   8.8087 -3.973755 13.28515 
1 1 1  -23   10   47 o  124.794   8.8129   43.034   5.9202   46.867   8.8573   39.939   7.9593  129.731   12.635  119.856   12.289 9.874817 17.62572 
1 1 1  -23   10   48 o  116.038   9.7584   37.750   6.1039   39.691   9.0227   36.113   8.2883  118.688   14.068  113.387   13.527 5.300766 19.51679 
1 1 1  -23   10   49 o   59.452   14.537   9.9332   5.6703   9.2974   8.5805   10.426   7.5551   58.778   21.160   60.126   19.938 -1.348274 29.07411 
1 1 1  -23   10   50 o  102.424   11.625   31.038   6.1458   27.604   9.2992   33.701   8.1893   95.740   18.645  109.107   13.890 -13.36781 23.25038 
1 1 1  -23   10   51 o   54.985   14.628   7.0327   5.9026   10.959   9.1982   4.2837   7.6962   61.810   21.945   48.161   19.348 13.64865 29.25652 
1 1 1  -23   10   52 o  241.697   6.4338  161.636   8.3888  162.609   12.236  160.773   11.524  242.223   9.3481  241.171   8.8425 1.051727 12.86766 
1 1 1  -23   10   53 o  133.005   9.3951   51.524   6.5640   41.314   9.7400   60.020   8.8847  119.687   15.060  146.323   11.237 -26.63672 18.79016 
1 1 1  -23   10   54 o   38.105   12.464  -4.8991   6.0169  -5.9732   9.1497  -4.0807   7.9866   38.692   18.010   37.517   17.236 1.174831 24.92823 
1 1 1  -23   10   55 o   63.859   14.364   12.577   6.0967   5.2449   9.0423   18.688   8.2554   51.114   20.815   76.604   19.800 -25.49002 28.72748 
1 1 1  -23   10   56 o  219.485   6.8740  136.387   8.0900  125.623   11.868  145.731   11.057  210.691   10.424  228.278   8.9637 -17.58720 13.74807 
1 1 1  -23   10   57 o   32.187   11.520 -40.3724   9.7538 -39.7523   14.552 -40.8784   13.143   33.613   16.962   30.762   15.591 2.851284 23.03935 
1 1 1  -23   10   58 o   43.024   14.868 -28.4049   11.994 -55.6757   17.836  -5.8964   16.204   35.101   17.829   50.947   23.798 -15.84615 29.73640 
1 1 1  -23   10   59 o   65.443   26.704   17.392   14.922   17.392   14.922   0.0000   0.0000   65.443   26.704  ?   ?       ?      ? 
1 1 1  -23   10   60 o   86.963   18.093   30.230   9.5845   21.041   13.981   38.378   13.165   72.128   26.837  101.798   24.274 -29.66956 36.18650 
1 1 1  -23   10   61 o   56.360   15.557   10.291   7.0366   17.014   10.588   4.9731   9.4168   65.310   23.507   47.410   20.384 17.90028 31.11387 
1 1 1  -23   11    1 o  610.973   11.589  995.735   37.887  901.126   49.521  1129.28   58.835  576.598   15.894  645.348   16.871 -68.74957 23.17888 
1 1 1  -23   11    2 o  533.575   10.593  771.526   30.533  764.865   43.617  777.928   42.758  531.295   15.193  535.856   14.766 -4.560547 21.18637 
1 1 1  -23   11    3 o  938.076   11.522  2385.41   58.402  2369.90   82.355  2401.10   82.834  935.007   16.300  941.144   16.288 -6.137207 23.04305 
1 1 1  -23   11    4 o  300.097   8.0801  243.521   13.103   0.0000   0.0000  243.521   13.103  ?   ?   300.097   8.0801      ?      ? 
1 1 1  -23   11    5 o  838.929   10.425  1905.12   47.236  1857.22   65.507  1957.00   68.177  827.970   14.641  849.888   14.845 -21.91772 20.85080 
1 1 1  -23   11    6 o  882.712   10.902  2110.70   51.986  2072.98   72.496  2150.63   74.587  874.610   15.340  890.814   15.495 -16.20410 21.80346 
1 1 1  -23   11    7 o  512.606   7.1198  711.009   19.716  704.832   28.146  716.959   27.627  510.411   10.205  514.802   9.9312 -4.390747 14.23968 
1 1 1  -23   11    8 o  724.730   11.334  1427.91   41.720  1412.16   72.467  1435.71   51.025  721.309   18.592  728.151   12.968 -6.841553 22.66793 
1 1 1  -23   11    9 o  286.877   6.0913  222.562   9.4292  222.864   13.710  222.292   12.989  287.054   8.8389  286.700   8.3839 0.3540039 12.18261 
1 1 1  -23   11   10 o  339.816   7.4378  313.910   13.071  317.536   16.324  307.432   21.818  342.639   8.8166  336.993   11.981 5.646606 14.87559 
1 1 1  -23   11   11 o  457.460   9.2704  566.080   22.916   0.0000   0.0000  566.080   22.916  ?   ?   457.460   9.2704      ?      ? 
1 1 1  -23   11   12 o  543.495   7.3907  799.387   21.700  794.254   30.983  804.330   30.402  541.772   10.583  545.218   10.319 -3.446350 14.78135 
1 1 1  -23   11   13 o  317.426   6.0030  272.738   10.279  268.053   14.904  276.989   14.196  314.814   8.7613  320.038   8.2088 -5.224670 12.00601 
1 1 1  -23   11   14 o  490.190   10.020  650.112   26.541  650.112   26.541   0.0000   0.0000  490.190   10.020  ?   ?       ?      ? 
1 1 1  -23   11   15 o  324.704   6.0830  285.586   10.656  275.375   15.334  295.122   14.818  319.071   8.8938  330.337   8.3013 -11.26608 12.16598 
1 1 1  -23   11   16 o  619.448   8.1363  1038.56   27.231  1018.04   38.144  1059.90   38.887  613.207   11.511  625.690   11.502 -12.48273 16.27264 
1 1 1  -23   11   17 o  733.694   13.090  1458.64   51.895   0.0000   0.0000  1458.64   51.895  ?   ?   733.694   13.090      ?      ? 
1 1 1  -23   11   18 o  238.474   6.3087  153.041   8.0902  161.973   12.175  145.980   10.826  244.659   9.2094  232.289   8.6246 12.37013 12.61733 
1 1 1  -23   11   19 o  274.531   5.9695  204.279   8.8374  195.786   12.737  212.163   12.272  269.004   8.7626  280.058   8.1090 -11.05356 11.93899 
1 1 1  -23   11   20 o  240.342   6.2818  156.544   8.1413  151.679   11.790  160.979   11.256  236.754   9.2154  243.931   8.5394 -7.177048 12.56367 
1 1 1  -23   11   21 o  218.095   6.4830  126.302   7.5673  148.800   11.697  110.106   9.9241  234.482   9.2313  201.708   9.1050 32.77396 12.96604 
1 1 1  -23   11   22 o  377.268   6.2041  385.143   12.640  367.054   17.736  403.817   18.020  368.256   8.9127  386.279   8.6330 -18.02319 12.40826 
1 1 1  -23   11   23 o  375.457   6.2428  381.729   12.657  364.845   17.861  398.763   17.940  367.100   9.0038  383.815   8.6500 -16.71475 12.48560 
1 1 1  -23   11   24 o  207.534   6.7111  117.114   7.4925  110.156   10.913  123.318   10.305  201.651   10.015  213.417   8.9358 -11.76520 13.42216 
1 1 1  -23   11   25 o  396.897   6.2919  426.594   13.483  425.047   19.444  428.026   18.714  396.186   9.0824  397.608   8.7099 -1.421997 12.58382 
1 1 1  -23   11   26 o  343.363   7.4767  315.490   13.320  305.472   16.535  334.009   22.482  335.841   9.1113  350.886   11.857 -15.04440 14.95340 
1 1 1  -23   11   27 o  305.571   8.3721  251.873   13.754  268.018   20.736  239.189   18.380  314.219   12.212  296.923   11.455 17.29611 16.74413 
1 1 1  -23   11   28 o  258.095   8.4762  179.713   11.749  191.239   17.823  170.856   15.624  265.315   12.432  250.875   11.525 14.44044 16.95230 
1 1 1  -23   11   29 o   44.443   14.483  -7.4382   6.9589  -4.2050   13.635  -8.5770   8.0921   53.594   23.743   35.292   16.591 18.30162 28.96587 
1 1 1  -23   11   30 o  121.533   13.736   39.585   8.8438   45.428   14.303   35.968   11.253  128.499   20.599  114.568   18.176 13.93073 27.47145 
1 1 1  -23   11   31 o  158.018   12.235   71.038   9.9674   57.748   15.754   79.910   12.871  144.832   20.129  171.205   13.913 -26.37253 24.46948 
1 1 1  -23   11   32 o  215.813   6.6179  126.932   7.6814  119.477   11.208  133.536   10.548  209.756   9.8882  221.871   8.7982 -12.11452 13.23581 
1 1 1  -23   11   33 o  289.929   5.9048  227.988   9.2113  228.823   13.685  227.295   12.455  290.360   8.7220  289.498   7.9619 0.8617554 11.80956 
1 1 1  -23   11   34 o  264.438   6.0383  190.041   8.5992  186.906   12.634  192.747   11.738  262.349   8.9119  266.527   8.1498 -4.178040 12.07652 
1 1 1  -23   11   35 o  161.100   7.4510   69.736   6.4124   76.396   10.006   65.095   8.3530  167.485   11.056  154.715   9.9914 12.77045 14.90196 
1 1 1  -23   11   36 o  161.857   7.4089   70.936   6.4024   73.961   9.9356   68.788   8.3724  164.704   11.163  159.010   9.7440 5.693787 14.81784 
1 1 1  -23   11   37 o  249.324   6.1384  169.974   8.2135  158.705   12.090  179.633   11.193  241.497   9.2646  257.151   8.0551 -15.65405 12.27671 
1 1 1  -23   11   38 o   43.398   13.231  -0.4361   5.6563  -2.8021   8.6839   1.3075   7.4545   42.385   18.855   44.410   18.568 -2.024994 26.46271 
1 1 1  -23   11   39 o  198.947   6.6133  108.475   7.0675   99.389   10.266  116.662   9.7446  190.869   9.9531  207.025   8.7107 -16.15581 13.22653 
1 1 1  -23   11   40 o  136.289   8.3322   50.294   6.0595   54.793   9.4914   47.199   7.8726  141.258   12.435  131.319   11.094 9.939026 16.66446 
1 1 1  -23   11   41 o   82.859   12.797   20.401   5.6139   15.576   8.7244   23.810   7.3338   73.035   20.991   92.682   14.644 -19.64726 25.59401 
1 1 1  -23   11   42 o  163.196   7.2391   73.452   6.3184   69.116   9.4710   76.930   8.4818  158.639   11.048  167.753   9.3569 -9.113373 14.47813 
1 1 1  -23   11   43 f   57.289   14.155   8.6269   5.4129   6.9768   8.3093   9.8433   7.1343   55.159   20.657   59.419   19.359 -4.259926 28.31046 
1 1 1  -23   11   44 o  333.523   5.9225  303.961   10.655  301.950   15.510  305.759   14.661  332.363   8.6361  334.683   8.1068 -2.319824 11.84496 
1 1 1  -23   11   45 o  150.029   7.9774   62.586   6.4200   57.929   9.4309   66.608   8.7642  144.552   12.074  155.505   10.430 -10.95294 15.95482 
1 1 1  -23   11   46 o  217.071   6.3139  129.648   7.3601  125.066   10.921  133.462   9.9624  213.342   9.4733  220.800   8.3498 -7.457611 12.62786 
1 1 1  -23   11   47 o   61.931   13.932   11.340   5.6027   4.9493   8.9635   15.438   7.1776   52.140   20.904   71.721   18.423 -19.58040 27.86366 
1 1 1  -23   11   48 o  142.504   8.4857   57.939   6.3360   49.966   9.8097   63.647   8.2995  133.254   13.623  151.755   10.121 -18.50102 16.97148 
1 1 1  -23   11   49 o  102.078   11.712   31.320   6.0693   25.274   9.2527   35.887   8.0410   91.252   19.364  112.904   13.180 -21.65181 23.42372 
1 1 1  -23   11   50 o   58.102   14.612   9.2320   5.6961   10.864   8.8985   8.0991   7.4142   61.475   21.610   54.728   19.673 6.747108 29.22345 
1 1 1  -23   11   51 o  115.449   10.269   38.443   6.3078   36.608   9.6475   39.813   8.3365  112.375   15.888  118.522   13.017 -6.147560 20.53885 
1 1 1  -23   11   52 o   58.575   14.738   9.1781   5.9707   13.691   8.9879   5.6135   7.9881   66.528   21.732   50.622   19.914 15.90585 29.47650 
1 1 1  -23   11   53 o   65.295   14.767   13.176   6.2607   7.0685   9.2839   18.270   8.4789   54.617   21.475   75.973   20.276 -21.35527 29.53409 
1 1 1  -23   11   54 o   51.832   14.284   4.8357   6.1230   11.835   9.0698  -1.0259   8.2998   62.189   21.819   41.474   18.442 20.71566 28.56881 
1 1 1  -23   11   55 o   44.105   13.590   0.5837   6.2063  -3.1845   9.2204   3.7052   8.3920   40.904   18.690   47.306   19.733 -6.402336 27.17946 
1 1 1  -23   11   56 o  107.876   15.440   36.051   7.9337   44.392   15.474   33.077   9.2406  111.061   26.207  104.690   16.334 6.370796 30.88082 
1 1 1  -23   11   59 o  104.114   17.863   42.850   10.384   29.324   14.638   56.554   14.734   82.370   27.760  125.858   22.490 -43.48778 35.72646 
1 1 1  -23   11   60 o   52.561   16.279   3.2570   8.2393   16.160   14.865  -2.4654   9.8992   64.076   26.456   41.046   18.976 23.02972 32.55788 
1 1 1  -23   12    1 o  158.133   17.212   67.838   14.708   0.0000   0.0000   67.838   14.708  ?   ?   158.133   17.212      ?      ? 
1 1 1  -23   12    2 o  242.672   6.2465  158.545   8.1482  166.163   12.275  152.544   10.895  247.849   9.1654  237.494   8.4893 10.35492 12.49293 
1 1 1  -23   12    3 o  417.634   8.9895  471.773   20.287   0.0000   0.0000  471.773   20.287  ?   ?   417.634   8.9895      ?      ? 
1 1 1  -23   12    4 o  657.492   12.014  1170.31   42.684   0.0000   0.0000  1170.31   42.684  ?   ?   657.492   12.014      ?      ? 
1 1 1  -23   12    5 o  253.097   6.1475  172.185   8.3558  182.479   12.673  164.269   11.114  259.737   9.0293  246.457   8.3451 13.28044 12.29510 
1 1 1  -23   12    6 o  133.929   8.9562   49.019   6.4194   44.071   9.4342   53.285   8.7601  127.552   13.688  140.306   11.554 -12.75387 17.91237 
1 1 1  -23   12    7 o  127.717   9.4358   43.560   6.4662   50.468   9.8392   38.308   8.5790  136.506   13.339  118.928   13.349 17.57713 18.87156 
1 1 1  -23   12    8 o  196.783   9.6305  104.314   8.6535  105.968   18.003  103.817   9.8684  197.659   16.855  195.906   9.3220 1.753006 19.26109 
1 1 1  -23   12    9 o  676.812   10.816  1257.12   37.590  1190.54   63.119  1293.71   46.794  662.395   17.634  691.229   12.528 -28.83478 21.63117 
1 1 1  -23   12   10 o  741.914   11.669  1465.63   43.254  1423.42   51.711  1563.96   78.923  724.956   13.200  758.871   19.246 -33.91528 23.33815 
1 1 1  -23   12   11 o  610.130   9.9261  1002.56   30.825  990.812   37.615  1026.58   53.786  605.002   11.506  615.257   16.178 -10.25549 19.85216 
1 1 1  -23   12   12 o  215.442   6.7946  124.335   7.8145  133.309   12.194  118.082   10.180  221.956   10.167  208.929   9.0166 13.02629 13.58920 
1 1 1  -23   12   13 o  725.350   9.2451  1425.46   36.235  1419.96   51.451  1430.87   51.039  723.950   13.152  726.750   12.997 -2.800232 18.49027 
1 1 1  -23   12   14 o  625.440   8.2249  1059.15   27.794  1038.02   39.045  1080.86   39.575  619.112   11.671  631.768   11.592 -12.65625 16.44978 
1 1 1  -23   12   15 f  121.068   10.477   40.250   6.7552   36.150   10.129   43.534   9.0654  115.399   16.244  126.737   13.237 -11.33808 20.95454 
1 1 1  -23   12   16 o  572.730   7.7140  888.224   23.872  876.123   33.776  900.302   33.744  568.823   10.989  576.637   10.829 -7.813721 15.42793 
1 1 1  -23   12   17 o  516.608   7.2211  722.512   20.156  715.147   28.624  729.756   28.387  513.987   10.306  519.228   10.118 -5.241211 14.44215 
1 1 1  -23   12   18 o  434.728   6.5762  511.237   15.440  488.421   21.620  534.987   22.058  424.824   9.4180  444.632   9.1808 -19.80832 13.15240 
1 1 1  -23   12   19 o   99.759   12.271   27.267   6.4255   29.092   9.8186   25.900   8.4978  101.864   18.520   97.654   16.104 4.210228 24.54236 
1 1 1  -23   12   20 o  127.700   9.7281   44.902   6.6016   39.692   9.9145   49.051   8.8483  120.887   15.178  134.512   12.173 -13.62525 19.45625 
1 1 1  -23   12   21 o  368.523   6.2279  367.756   12.396  363.951   17.764  371.367   17.306  366.651   8.9658  370.394   8.6465 -3.742584 12.45580 
1 1 1  -23   12   22 o  286.848   6.2310  222.618   9.6256  224.548   14.237  220.993   13.063  287.970   9.1494  285.727   8.4610 2.243469 12.46194 
1 1 1  -23   12   23 o  428.605   6.5337  497.376   15.119  500.064   21.879  494.919   20.916  429.693   9.4227  427.517   9.0537 2.176514 13.06738 
1 1 1  -23   12   24 o  419.423   7.9396  474.049   17.182  467.197   21.265  486.937   29.163  415.301   9.4756  423.545   12.742 -8.244019 15.87912 
1 1 1  -23   12   25 o   82.748   17.391   19.115   8.3492   18.498   11.947   19.705   11.673   81.720   24.847   83.775   24.340 -2.055382 34.78204 
1 1 1  -23   12   26 o  103.653   15.368   30.406   8.3141   32.950   12.301   28.266   11.281  107.678   21.888   99.629   21.578 8.049187 30.73556 
1 1 1  -23   12   27 o   51.165   15.017  -6.8472   7.8490   10.446   11.959 -19.9347   10.403   68.028   24.907   34.301   16.784 33.72729 30.03437 
1 1 1  -23   12   28 o  204.168   7.1910  115.406   7.7700   96.953   11.585  130.491   10.475  188.926   11.348  219.410   8.8351 -30.48456 14.38207 
1 1 1  -23   12   29 o  537.312   10.501  787.878   30.473  782.432   43.733  793.018   42.485  535.412   15.116  539.211   14.581 -3.799133 21.00248 
1 1 1  -23   12   30 o   98.179   17.318   28.359   9.2060   22.725   14.015   32.635   12.210   89.539   26.842  106.819   21.888 -17.27925 34.63540 
1 1 1  -23   12   31 o  110.053   11.740   35.401   6.4433   24.160   9.5481   44.800   8.7311   91.892   19.812  128.214   12.602 -36.32162 23.48035 
1 1 1  -23   12   32 o   62.201   13.474   7.5872   5.9227   20.007   8.8519  -2.4790   7.9693   83.411   19.915   40.991   18.156 42.42004 26.94894 
1 1 1  -23   12   33 o  198.749   6.7758  108.850   7.1598   96.837   10.760  118.395   9.5916  188.646   10.555  208.851   8.4990 -20.20413 13.55165 
1 1 1  -23   12   34 o   87.423   12.876   21.854   5.8012   21.712   9.0936   21.952   7.5333   86.856   19.814   87.991   16.448 -1.135506 25.75138 
1 1 1  -23   12   35 o   78.510   13.909   18.002   5.9168   15.055   8.8172   20.416   7.9804   72.648   21.167   84.372   18.050 -11.72391 27.81796 
1 1 1  -23   12   36 o   62.546   14.031   8.8276   5.8621   18.238   8.9067   1.6357   7.7862   79.272   20.603   45.819   19.052 33.45263 28.06160 
1 1 1  -23   12   37 o   67.444   14.310   13.022   5.6199   11.558   8.7364   14.055   7.3403   65.093   21.434   69.794   18.967 -4.701622 28.62090 
1 1 1  -23   12   38 o  163.927   7.3437   72.623   6.4159   77.819   10.071   69.073   8.3237  168.698   11.048  159.156   9.6785 9.541550 14.68742 
1 1 1  -23   12   39 o  220.242   6.3285  132.399   7.4807  130.167   11.198  134.198   10.053  218.448   9.4868  222.037   8.3786 -3.589218 12.65706 
1 1 1  -23   12   40 o  114.651   9.9606   37.097   6.0223   32.126   9.1785   40.855   7.9804  107.419   15.813  121.882   12.117 -14.46313 19.92128 
1 1 1  -23   12   41 o  240.135   6.1382  156.630   7.8636  162.060   12.217  152.789   10.275  243.496   9.2851  236.773   8.0309 6.723175 12.27635 
1 1 1  -23   12   42 o  244.753   6.1118  163.380   8.0249  165.301   12.128  161.884   10.703  245.882   9.1279  243.625   8.1301 2.256454 12.22361 
1 1 1  -23   12   43 f  228.688   6.2287  143.332   7.6600  139.453   11.314  146.615   10.408  225.674   9.2779  231.700   8.3131 -6.025925 12.45742 
1 1 1  -23   12   44 o  216.739   6.4018  129.261   7.4425  124.293   11.094  133.326   10.036  212.725   9.6516  220.753   8.4129 -8.027985 12.80352 
1 1 1  -23   12   45 o  107.665   10.943   34.728   5.8552   24.926   8.8563   42.340   7.8041   91.728   18.506  123.602   11.685 -31.87411 21.88586 
1 1 1  -23   12   46 o   63.416   13.157   8.8069   5.7966   22.591   8.8347  -1.6122   7.6811   86.611   19.363   40.220   17.820 46.39083 26.31485 
1 1 1  -23   12   47 f  168.928   7.6426   79.878   6.8644   74.089   10.455   84.265   9.1006  163.055   11.866  174.801   9.6347 -11.74594 15.28518 
1 1 1  -23   12   48 o  118.026   9.7845   39.077   6.1960   41.628   9.4439   37.149   8.2100  121.161   14.424  114.891   13.224 6.270554 19.56907 
1 1 1  -23   12   49 o  165.715   7.6649   77.393   6.7654   69.232   10.097   84.042   9.1140  157.190   11.887  174.240   9.6799 -17.05055 15.32976 
1 1 1  -23   12   50 o  151.608   8.3612   63.566   6.7963   74.084   10.395   55.713   8.9820  162.380   11.847  140.836   11.802 21.54399 16.72248 
1 1 1  -23   12   51 o  128.020   9.6209   46.561   6.5996   48.058   10.059   45.430   8.7445  129.424   14.384  126.615   12.781 2.808983 19.24174 
1 1 1  -23   12   52 o   87.842   13.527   25.471   6.4689   13.791   9.9057   34.157   8.5419   66.747   22.834  108.937   14.511 -42.18992 27.05487 
1 1 1  -23   12   53 o  114.573   11.306   39.199   6.8465   34.851   10.395   42.531   9.0985  107.707   17.861  121.438   13.865 -13.73045 22.61122 
1 1 1  -23   12   54 o  123.380   10.284   44.883   6.6807   42.007   10.459   46.865   8.6827  118.839   16.287  127.922   12.561 -9.082771 20.56844 
1 1 1  -23   12   55 o   72.334   15.112   16.771   6.7033   26.130   10.074   9.3354   8.9798   88.293   21.350   56.376   21.394 31.91634 30.22436 
1 1 1  -23   12   56 o   46.047   15.515 -16.0823   10.244   2.1676   16.594 -27.3198   13.022   57.237   25.718   34.858   17.363 22.37883 31.03079 
1 1 1  -23   12   57 o   73.783   29.170   20.608   17.217   20.608   17.217   0.0000   0.0000   73.783   29.170  ?   ?       ?      ? 
1 1 1  -23   12   58 o   55.047   17.173   7.2815   10.276   0.3669   15.177   13.135   13.964   49.969   23.237   60.125   25.292 -10.15649 34.34636 
1 1 1  -23   12   59 o  162.292   12.451   84.740   10.767   77.477   15.989   90.766   14.565  153.364   19.294  171.221   15.742 -17.85680 24.90107 
1 1 1  -23   12   60 o   43.022   13.703   0.0653   6.6914   6.0471   10.327  -4.2629   8.7848   49.282   21.268   36.762   17.284 12.51998 27.40530 
1 1 1  -23   13    1 o  124.108   9.5943   41.536   6.4191   44.966   9.4687   38.619   8.7319  128.826   13.602  119.390   13.535 9.436272 19.18857 
1 1 1  -23   13    2 o  423.531   6.5361  484.051   14.939  455.028   20.564  516.490   21.740  410.119   9.2792  436.944   9.2076 -26.82513 13.07224 
1 1 1  -23   13    3 o  769.320   13.730  1603.60   57.076   0.0000   0.0000  1603.60   57.076  ?   ?   769.320   13.730      ?      ? 
1 1 1  -23   13    4 o  346.191   6.2242  324.254   11.628  322.862   16.872  325.513   16.047  345.472   9.0379  346.910   8.5602 -1.437408 12.44831 
1 1 1  -23   13    5 o  200.007   7.0444  108.712   7.5765  102.089   11.055  114.577   10.404  194.220   10.534  205.793   9.3559 -11.57317 14.08873 
1 1 1  -23   13    6 o  212.853   6.7048  123.468   7.6543  112.355   11.186  133.251   10.496  203.760   10.160  221.947   8.7519 -18.18652 13.40951 
1 1 1  -23   13    7 o   82.305   14.291   19.357   6.3108   16.833   9.4885   21.358   8.4510   77.574   21.755   87.036   18.537 -9.462654 28.58151 
1 1 1  -23   13    8 o  407.515   8.9308  449.279   19.666   0.0000   0.0000  449.279   19.666  ?   ?   407.515   8.9308      ?      ? 
1 1 1  -23   13    9 o  418.817   8.4363  464.196   17.061  499.324   33.061  451.445   19.918  429.153   14.257  408.482   9.0239 20.67133 16.87258 
1 1 1  -23   13   10 o  192.666   10.083   98.683   9.1175  104.640   18.406   96.746   10.496  196.279   17.354  189.053   10.274 7.225113 20.16685 
1 1 1  -23   13   11 f  570.640   9.5312  876.752   27.677  865.308   33.757  900.225   48.343  565.301   11.051  575.979   15.533 -10.67780 19.06248 
1 1 1  -23   13   12 o  389.565   7.8666  406.325   15.678  396.936   19.181  425.225   27.214  382.995   9.2681  396.135   12.714 -13.14059 15.73316 
1 1 1  -23   13   13 o  226.786   6.6316  138.561   8.0882  145.270   12.151  133.223   10.838  231.680   9.7059  221.891   9.0391 9.789078 13.26313 
1 1 1  -23   13   14 o  174.826   7.8337   83.714   7.3155   72.945   10.691   93.196   10.032  164.095   12.057  185.556   10.005 -21.46088 15.66744 
1 1 1  -23   13   15 o  540.880   7.4542  792.189   21.782  785.177   31.032  798.999   30.583  538.507   10.664  543.253   10.418 -4.745728 14.90836 
1 1 1  -23   13   16 o   83.871   15.097   19.898   6.8267   19.896   10.291   19.899   9.1229   83.926   22.309   83.816   20.347 0.1100235 30.19442 
1 1 1  -23   13   17 o  368.188   6.3211  367.319   12.561  356.121   18.032  377.876   17.507  362.711   9.2001  373.665   8.6707 -10.95358 12.64213 
1 1 1  -23   13   18 o  557.102   7.6195  840.229   22.928  809.877   31.925  872.559   32.949  546.716   10.806  567.488   10.745 -20.77191 15.23895 
1 1 1  -23   13   19 o  326.459   6.2972  288.945   11.089  280.208   16.015  296.992   15.370  321.688   9.2130  331.230   8.5873 -9.541931 12.59445 
1 1 1  -23   13   20 o  370.425   6.3615  371.856   12.719  362.991   18.285  380.168   17.705  366.122   9.2422  374.729   8.7438 -8.607056 12.72292 
1 1 1  -23   13   21 o  716.253   9.1856  1392.41   35.550  1372.83   50.033  1412.38   50.520  711.160   13.020  721.347   12.961 -10.18634 18.37112 
1 1 1  -23   13   22 o  209.018   8.4107  119.450   9.3249  123.820   12.210  113.333   14.445  213.731   10.572  204.306   13.084 9.425644 16.82142 
1 1 1  -23   13   23 o  141.674   11.873   55.109   8.9501   52.162   13.711   57.297   11.815  138.230   18.355  145.119   15.066 -6.888077 23.74689 
1 1 1  -23   13   24 o  344.229   8.5773  321.748   15.949  310.586   22.457  333.108   22.655  338.183   12.289  350.276   11.969 -12.09317 17.15454 
1 1 1  -23   13   25 o  108.782   15.024   33.159   8.4674   37.770   12.870   29.640   11.244  115.484   21.412  102.079   21.082 13.40500 30.04851 
1 1 1  -23   13   26 o   81.318   14.428   21.210   7.2682   0.7973   13.208   30.076   8.7048   57.634   24.440  105.001   15.342 -47.36701 28.85618 
1 1 1  -23   13   27 o   62.861   15.470   9.8405   6.3628   9.0035   10.180   10.377   8.1510   62.970   22.992   62.752   20.705 0.2176666 30.94068 
1 1 1  -23   13   28 o   92.884   17.947   25.701   9.1521   19.052   15.916   28.986   11.187   85.064   28.945  100.704   21.226 -15.63992 35.89360 
1 1 1  -23   13   29 o  226.410   9.5434  139.550   11.624  142.455   17.350  137.185   15.657  228.455   14.055  224.366   12.914 4.088882 19.08685 
1 1 1  -23   13   30 f  175.290   7.7362   85.038   7.1843   74.383   10.855   93.342   9.5834  165.208   12.160  185.372   9.5673 -20.16435 15.47231 
1 1 1  -23   13   31 o  227.786   6.5060  140.829   7.9330  141.802   12.092  140.094   10.511  228.394   9.7977  227.178   8.5625 1.216110 13.01200 
1 1 1  -23   13   32 o  174.932   7.3295   83.132   6.8449   84.022   10.553   82.485   8.9931  175.649   11.119  174.216   9.5528 1.433472 14.65899 
1 1 1  -23   13   33 o   89.149   12.832   24.103   6.0375   12.699   9.0380   33.292   8.1132   68.001   21.757  110.297   13.613 -42.29561 25.66442 
1 1 1  -23   13   34 o  200.971   6.7198  110.719   7.2223  103.168   10.796  116.835   9.7166  194.604   10.267  207.337   8.6726 -12.73351 13.43952 
1 1 1  -23   13   35 o  179.305   7.1438   88.215   6.8485   83.241   10.293   92.166   9.1740  174.608   10.909  184.003   9.2267 -9.395203 14.28764 
1 1 1  -23   13   36 o   66.577   14.653   12.523   5.8162   11.354   8.9987   13.361   7.6222   64.919   21.766   68.235   19.623 -3.316322 29.30545 
1 1 1  -23   13   37 o  137.501   8.8384   50.350   6.4560   60.680   10.356   43.785   8.2568  148.626   12.895  126.377   12.091 22.24935 17.67679 
1 1 1  -23   13   38 o  156.934   7.7394   68.038   6.3979   64.405   10.100   70.473   8.2681  153.156   12.204  160.712   9.5207 -7.555954 15.47876 
1 1 1  -23   13   39 o   55.560   14.088   4.1337   5.9831   15.096   9.3925  -3.3522   7.7616   72.162   22.051   38.958   17.539 33.20375 28.17577 
1 1 1  -23   13   40 o  114.728   10.155   37.556   6.0974   31.263   9.3426   42.224   8.0476  105.658   16.364  123.797   12.030 -18.13916 20.30976 
1 1 1  -23   13   41 o  193.964   6.8046  104.378   7.0278   92.173   10.462  114.415   9.4872  183.229   10.566  204.699   8.5770 -21.46960 13.60911 
1 1 1  -23   13   42 o  151.485   8.2670   64.547   6.6148   55.919   10.036   71.174   8.7956  141.958   13.083  161.011   10.109 -19.05363 16.53408 
1 1 1  -23   13   43 o   43.036   13.177  -0.1246   5.6126  -0.7671   8.5191   0.3682   7.4607   43.649   19.071   42.424   18.189 1.224266 26.35444 
1 1 1  -23   13   44 o   47.935   13.817   3.1913   5.7214  -0.4684   9.0918   5.5908   7.3618   45.312   19.752   50.558   19.326 -5.245811 27.63456 
1 1 1  -23   13   45 o  308.005   6.0812  259.905   10.083  264.721   14.981  255.917   13.633  310.424   8.9306  305.585   8.2563 4.839325 12.16232 
1 1 1  -23   13   46 o  143.797   8.5881   57.221   6.6010   60.933   10.231   54.575   8.6399  147.489   12.837  140.104   11.412 7.385437 17.17629 
1 1 1  -23   13   47 o  160.066   7.8781   71.536   6.6840   69.754   10.442   72.772   8.7000  157.898   12.238  162.234   9.9241 -4.335205 15.75622 
1 1 1  -23   13   48 o  210.700   6.8090  120.921   7.6729  136.406   11.939  110.024   10.015  221.838   9.9597  199.563   9.2873 22.27528 13.61795 
1 1 1  -23   13   49 o   44.681   13.628   0.3825   6.1525  -4.7150   9.6429   3.8824   7.9901   41.389   18.986   47.972   19.554 -6.582932 27.25523 
1 1 1  -23   13   50 o  288.210   6.2999  230.168   9.7876  222.404   14.189  237.217   13.519  283.289   9.2689  293.131   8.5348 -9.841339 12.59979 
1 1 1  -23   13   51 o   98.440   12.678   29.287   6.5295   27.573   9.7612   30.675   8.7841   94.187   19.807  102.692   15.830 -8.504433 25.35547 
1 1 1  -23   13   52 o  132.685   9.9853   51.734   6.9773   45.732   10.706   56.166   9.1996  124.734   15.883  140.635   12.106 -15.90122 19.97051 
1 1 1  -23   13   53 o  104.470   12.565   33.223   6.7712   33.358   10.684   33.132   8.7534  102.662   19.979  106.277   15.242 -3.615051 25.12929 
1 1 1  -23   13   54 f   59.413   15.680   10.887   6.7003   10.937   10.432   10.851   8.7415   59.925   22.983   58.902   21.336 1.023167 31.35962 
1 1 1  -23   13   55 f   45.528   15.156 -16.1028   9.4221   6.0923   15.396 -29.3919   11.913   59.173   25.751   31.883   15.990 27.28974 30.31162 
1 1 1  -23   13   56 o   70.288   28.358   16.757   16.609   16.757   16.609   0.0000   0.0000   70.288   28.358  ?   ?       ?      ? 
1 1 1  -23   13   57 o   56.538   16.564   7.3999   9.3805  -7.0541   13.633   20.396   12.927   43.455   20.748   69.621   25.825 -26.16644 33.12744 
1 1 1  -23   13   58 o   85.253   18.411   29.252   9.4653   24.459   14.152   33.131   12.732   76.938   27.231   93.568   24.786 -16.63069 36.82230 
1 1 1  -23   13   59 o   70.193   16.114   19.625   7.1290   16.479   10.665   22.166   9.5855   64.201   23.518   76.186   22.033 -11.98427 32.22703 
1 1 1  -23   14    1 o  484.176   7.0282  634.504   18.385  618.263   25.907  650.980   26.094  477.927   10.031  490.425   9.8464 -12.49881 14.05636 
1 1 1  -23   14    3 o  472.604   9.7058  604.499   24.787   0.0000   0.0000  604.499   24.787  ?   ?   472.604   9.7058      ?      ? 
1 1 1  -23   14    4 o  382.988   8.8930  396.873   18.404   0.0000   0.0000  396.873   18.404  ?   ?   382.988   8.8930      ?      ? 
1 1 1  -23   14    5 o  411.921   6.5986  458.724   14.676  433.353   20.438  485.729   21.086  400.166   9.4517  423.676   9.2103 -23.50983 13.19712 
1 1 1  -23   14    6 o  476.302   9.7262  613.996   25.033   0.0000   0.0000  613.996   25.033  ?   ?   476.302   9.7262      ?      ? 
1 1 1  -23   14    7 o  187.990   7.5466   93.353   7.5723  113.678   11.827   79.232   9.8576  204.910   10.681  171.071   10.664 33.83876 15.09326 
1 1 1  -23   14    8 o  390.634   8.9298  412.881   18.850   0.0000   0.0000  412.881   18.850  ?   ?   390.634   8.9298      ?      ? 
1 1 1  -23   14    9 f  526.037   10.299  749.086   29.275   0.0000   0.0000  749.086   29.275  ?   ?   526.037   10.299      ?      ? 
1 1 1  -23   14   10 o  204.955   10.937  123.703   9.7337   97.703   20.262  131.503   11.098  189.471   19.790  220.439   9.3170 -30.96759 21.87370 
1 1 1  -23   14   11 o   65.580   18.175   6.6731   7.8430   9.3446   17.557   6.0071   8.7663   75.408   29.569   55.751   21.142 19.65716 36.35000 
1 1 1  -23   14   12 o   65.470   16.530   9.8488   7.7451   14.682   9.5277   0.4324   13.298   73.148   22.178   57.792   24.516 15.35557 33.05915 
1 1 1  -23   14   13 o  379.100   7.8180  392.616   15.338  401.137   19.226  377.703   25.437  384.957   9.2426  373.243   12.612 11.71350 15.63608 
1 1 1  -23   14   14 o  141.035   9.2745   54.188   7.0128   51.938   10.472   56.018   9.4431  138.328   14.009  143.742   12.158 -5.413208 18.54909 
1 1 1  -23   14   15 o  436.573   6.6726  516.211   15.731  513.065   22.627  519.153   21.885  435.266   9.6203  437.879   9.2491 -2.613281 13.34525 
1 1 1  -23   14   16 o  293.913   6.2642  233.839   9.9362  234.554   14.430  233.195   13.702  294.325   9.0728  293.501   8.6397 0.8246155 12.52839 
1 1 1  -23   14   17 o  241.965   6.4921  156.702   8.4233  173.234   12.925  144.498   11.105  252.913   9.4577  231.018   8.8960 21.89531 12.98413 
1 1 1  -23   14   18 o  473.885   6.9567  608.377   17.806  607.371   25.565  609.326   24.814  473.485   9.9919  474.286   9.6822 -0.8007813 13.91343 
1 1 1  -23   14   19 f  253.664   6.6219  173.609   9.0228  180.226   13.625  168.440   12.042  257.924   9.7756  249.404   8.9352 8.520401 13.24384 
1 1 1  -23   14   20 o  450.841   13.234  552.027   32.240   0.0000   0.0000  552.027   32.240  ?   ?   450.841   13.234      ?      ? 
1 1 1  -23   14   21 o  133.964   12.404   48.385   8.8996   53.221   13.736   44.887   11.683  139.614   18.208  128.315   16.850 11.29915 24.80801 
1 1 1  -23   14   22 o  251.532   8.9333  172.249   12.106  157.230   17.138  187.207   17.103  240.503   13.187  262.561   12.054 -22.05823 17.86658 
1 1 1  -23   14   23 o  304.787   8.5806  251.982   14.117  261.261   20.553  243.694   19.424  310.072   12.266  299.502   12.002 10.56958 17.16115 
1 1 1  -23   14   24 o  338.791   7.5821  305.530   12.736  326.802   23.569  296.756   15.136  346.657   12.582  330.925   8.4646 15.73175 15.16425 
1 1 1  -23   14   25 o  259.844   6.4313  183.613   8.9953  175.954   13.146  190.355   12.335  254.686   9.5524  265.002   8.6139 -10.31662 12.86266 
1 1 1  -23   14   26 o  160.784   11.138   71.853   8.1263   68.423   16.745   72.909   9.2942  157.719   19.648  163.850   10.497 -6.130569 22.27598 
1 1 1  -23   14   27 o  183.236   11.068   92.494   10.569   89.302   17.247   94.414   13.375  180.373   17.695  186.100   13.300 -5.726868 22.13560 
1 1 1  -23   14   28 o   58.618   17.233   1.4331   8.8596   7.7072   14.425  -2.3671   11.227   67.589   26.707   49.647   21.787 17.94213 34.46620 
1 1 1  -23   14   29 o  135.082   9.1493   49.037   6.6247   57.942   10.100   42.312   8.7766  145.689   12.829  124.476   13.048 21.21366 18.29855 
1 1 1  -23   14   30 o  194.979   7.1809  104.144   7.4691   98.152   11.321  108.763   9.9394  189.861   11.034  200.097   9.1925 -10.23627 14.36181 
1 1 1  -23   14   31 o  113.056   10.241   35.056   6.1933   34.738   9.4268   35.298   8.2150  112.490   15.508  113.623   13.380 -1.133522 20.48232 
1 1 1  -23   14   32 o  133.156   9.1581   48.178   6.5631   52.132   9.8353   45.004   8.8121  138.018   13.188  128.293   12.711 9.724518 18.31626 
1 1 1  -23   14   33 o  281.573   6.0676  215.376   9.1743  216.930   13.787  214.141   12.290  282.390   9.0354  280.756   8.1010 1.633362 12.13526 
1 1 1  -23   14   34 o  124.538   9.7212   42.377   6.4758   44.398   9.9826   40.909   8.5091  126.958   14.551  122.118   12.895 4.839897 19.44242 
1 1 1  -23   14   35 o  192.903   6.8379  100.731   7.0245  105.599   11.013   97.392   9.1205  196.675   10.363  189.130   8.9242 7.544998 13.67580 
1 1 1  -23   14   36 o  125.767   9.3530   43.359   6.2587   44.336   9.7866   42.683   8.1410  126.776   14.286  124.757   12.076 2.018997 18.70609 
1 1 1  -23   14   37 o  152.857   8.1329   62.678   6.5870   71.084   10.634   57.445   8.3905  160.842   12.235  144.872   10.718 15.97049 16.26584 
1 1 1  -23   14   38 o  153.237   8.3512   63.724   6.8504   70.840   10.606   58.630   8.9733  160.379   12.238  146.095   11.367 14.28329 16.70239 
1 1 1  -23   14   39 o   46.215   13.560  -0.3249   5.6301   7.1288   9.2639  -4.6904   7.0896   57.026   21.708   35.403   16.255 21.62289 27.11966 
1 1 1  -23   14   40 o  144.527   8.3558   58.299   6.3308   54.425   10.073   60.829   8.1392  140.120   13.304  148.933   10.114 -8.812866 16.71152 
1 1 1  -23   14   41 o  250.879   6.2767  172.070   8.4237  173.301   12.872  171.148   11.140  251.443   9.4739  250.314   8.2362 1.128586 12.55344 
1 1 1  -23   14   42 o  168.366   7.5098   78.109   6.6521   78.375   10.702   77.941   8.4916  168.212   11.774  168.519   9.3251 -0.3064880 15.01962 
1 1 1  -23   14   43 o  206.650   6.7863  116.428   7.5146  124.770   11.538  110.282   9.9030  212.860   10.031  200.441   9.1431 12.41963 13.57263 
1 1 1  -23   14   44 o  164.640   7.7845   75.649   6.8158   71.845   10.456   78.458   8.9874  160.607   12.048  168.673   9.8605 -8.065262 15.56907 
1 1 1  -23   14   45 o  244.300   6.3375  163.601   8.2472  167.371   12.847  160.958   10.756  246.343   9.6509  242.258   8.2167 4.085526 12.67498 
1 1 1  -23   14   46 o   54.208   13.976   6.7791   5.8695  -0.9542   9.0966   12.295   7.6827   44.311   19.524   64.105   20.003 -19.79316 27.95156 
1 1 1  -23   14   47 o  126.170   10.006   47.101   6.4992   36.479   10.029   54.792   8.5336  112.247   16.534  140.094   11.273 -27.84659 20.01142 
1 1 1  -23   14   48 o  205.007   7.0148  116.617   7.7198  117.554   11.615  115.876   10.332  205.431   10.463  204.582   9.3464 0.8498535 14.02960 
1 1 1  -23   14   49 o  127.930   9.6265   45.627   6.5580   52.949   10.412   40.813   8.4431  135.965   14.172  119.896   13.032 16.06851 19.25307 
1 1 1  -23   14   50 o  220.195   6.9246  133.616   8.1465  142.779   12.656  127.134   10.645  226.214   10.354  214.176   9.1976 12.03758 13.84911 
1 1 1  -23   14   51 o   97.443   13.317   29.702   6.7744   25.196   10.107   33.377   9.1286   88.294   21.406  106.592   15.849 -18.29839 26.63415 
1 1 1  -23   14   52 o  194.097   7.4279  106.443   7.7155  101.150   11.557  110.700   10.363  189.123   11.309  199.071   9.6338 -9.947479 14.85574 
1 1 1  -23   14   53 o   69.167   15.421   16.160   6.4238   15.780   9.7424   16.452   8.5443   68.173   22.643   70.160   20.942 -1.986694 30.84290 
1 1 1  -23   14   54 o   57.935   17.730   5.9441   10.065   5.7680   15.943   6.0608   12.978   59.375   26.012   56.495   24.100 2.879742 35.46027 
1 1 1  -23   14   55 o   46.582   22.328 -13.0968   16.123 -13.0968   16.123   0.0000   0.0000   46.582   22.328  ?   ?       ?      ? 
1 1 1  -23   14   56 o   63.016   18.164   14.687   9.7797   20.541   14.670   10.005   13.121   69.163   27.053   56.869   24.245 12.29444 36.32762 
1 1 1  -23   14   57 o   76.051   18.337   22.291   9.9088   34.527   14.169   10.579   13.862   92.879   26.767   59.223   25.071 33.65673 36.67500 
1 1 1  -23   14   58 o   91.183   13.800   26.830   7.2773   52.123   11.718   10.951   9.2846  126.427   17.153   55.939   21.621 70.48793 27.59904 
1 1 1  -23   15    1 o  286.301   6.2431  221.968   9.6519  217.526   13.822  226.197   13.484  283.493   9.0225  289.110   8.6313 -5.616455 12.48621 
1 1 1  -23   15    2 o  222.439   6.8713  133.655   8.2496  142.350   11.982  125.818   11.375  229.304   9.6699  215.574   9.7650 13.72992 13.74269 
1 1 1  -23   15    3 o  305.301   6.3134  252.257   10.400  252.418   15.129  252.113   14.320  305.379   9.1684  305.223   8.6821 0.1558838 12.62687 
1 1 1  -23   15    4 o  235.770   9.1333  150.458   11.636   0.0000   0.0000  150.458   11.636  ?   ?   235.770   9.1333      ?      ? 
1 1 1  -23   15    5 o  382.924   8.9679  396.869   18.556   0.0000   0.0000  396.869   18.556  ?   ?   382.924   8.9679      ?      ? 
1 1 1  -23   15    6 o  154.481   8.5172   64.498   7.0723   66.459   10.626   62.938   9.4759  156.561   12.561  152.401   11.507 4.160233 17.03434 
1 1 1  -23   15    7 o  214.627   6.9437  124.759   8.0395  124.290   11.704  125.178   11.063  214.231   10.110  215.023   9.5210 -0.7924347 13.88745 
1 1 1  -23   15    8 o  344.260   6.3107  320.722   11.728  301.925   16.428  340.265   16.750  333.961   9.1031  354.559   8.7426 -20.59756 12.62140 
1 1 1  -23   15    9 o  397.623   6.5418  427.460   14.017  435.861   20.693  420.339   19.054  401.201   9.5451  394.045   8.9483 7.155579 13.08361 
1 1 1  -23   15   10 o  177.108   7.9142   85.088   7.5391   84.240   11.184   85.795   10.207  176.270   11.742  177.946   10.615 -1.676361 15.82839 
1 1 1  -23   15   11 o  210.690   10.218  102.128   9.4559  154.459   22.548   90.960   10.416  238.158   17.521  183.222   10.521 54.93573 20.43653 
1 1 1  -23   15   12 o  492.332   9.2863  668.281   22.693  631.081   40.631  685.144   27.357  481.759   15.608  502.904   10.067 -21.14536 18.57266 
1 1 1  -23   15   13 o  263.258   8.2456  179.126   10.983  164.531   13.143  212.905   19.995  246.452   9.8692  280.064   13.212 -33.61209 16.49111 
1 1 1  -23   15   14 o  640.334   10.438  1100.16   33.604  1076.34   40.456  1153.15   60.348  629.963   11.885  650.705   17.163 -20.74133 20.87603 
1 1 1  -23   15   15 o  183.413   7.8414   90.527   7.7400  102.371   11.486   80.676   10.475  194.328   10.939  172.497   11.238 21.83150 15.68281 
1 1 1  -23   15   16 o  222.465   6.9592  134.613   8.3128  128.822   12.317  139.457   11.265  218.014   10.455  226.915   9.1874 -8.901382 13.91846 
1 1 1  -23   15   17 o  325.612   8.8729  287.133   15.612   0.0000   0.0000  287.133   15.612  ?   ?   325.612   8.8729      ?      ? 
1 1 1  -23   15   18 o   98.016   16.521   27.250   8.5969   29.752   12.855   25.225   11.563  102.033   23.760   93.999   22.961 8.033470 33.04137 
1 1 1  -23   15   19 o  419.797   9.2202  478.837   20.910  482.883   29.970  475.000   29.187  421.502   13.158  418.092   12.919 3.409912 18.44041 
1 1 1  -23   15   20 o   90.744   17.657   23.492   8.9293   22.883   12.888   24.054   12.383   89.750   25.420   91.738   24.512 -1.988220 35.31327 
1 1 1  -23   15   21 o  411.659   9.1460  460.524   20.334  440.766   28.326  481.531   29.208  402.538   13.023  420.779   12.846 -18.24167 18.29207 
1 1 1  -23   15   22 o  472.603   7.1038  605.165   18.070  615.670   26.871  596.492   24.416  476.261   10.441  468.945   9.6353 7.316345 14.20753 
1 1 1  -23   15   23 o  254.250   6.5757  176.159   8.9838  165.474   13.167  185.466   12.289  246.941   9.8674  261.559   8.6946 -14.61850 13.15145 
1 1 1  -23   15   24 o  275.158   6.3201  204.146   9.3288  214.854   14.213  196.042   12.365  281.411   9.3467  268.904   8.5095 12.50720 12.64010 
1 1 1  -23   15   25 o  189.213   10.929  101.505   9.2003   91.532   19.200  104.477   10.482  182.277   19.493  196.149   9.8895 -13.87177 21.85830 
1 1 1  -23   15   26 o  304.283   9.4105  253.105   15.208  250.450   23.735  254.955   19.809  302.637   14.514  305.928   11.983 -3.291901 18.82105 
1 1 1  -23   15   27 o  167.298   12.252   76.540   10.929   80.135   17.049   74.032   14.240  170.390   18.516  164.205   16.048 6.185333 24.50315 
1 1 1  -23   15   28 o  258.396   6.5291  181.057   9.0211  183.602   13.835  179.176   11.899  259.875   9.8519  256.916   8.5707 2.958649 13.05820 
1 1 1  -23   15   29 o   65.142   15.207   11.202   6.1874   12.883   9.3576   9.8961   8.2477   68.687   22.155   61.598   20.837 7.089314 30.41425 
1 1 1  -23   15   30 o  174.322   7.5352   80.495   6.9775   95.514   11.198   70.962   8.9210  187.191   11.071  161.453   10.225 25.73810 15.07033 
1 1 1  -23   15   31 o  340.594   6.2282  315.904   11.441  304.624   16.501  326.346   15.877  334.651   9.1252  346.536   8.4788 -11.88535 12.45631 
1 1 1  -23   15   32 o  190.159   7.3441   99.545   7.4318   92.812   11.321  104.645   9.8521  184.276   11.369  196.043   9.3002 -11.76688 14.68816 
1 1 1  -23   15   33 o  143.055   8.6902   55.767   6.6572   58.408   10.214   53.816   8.7777  145.869   12.958  140.240   11.583 5.629349 17.38042 
1 1 1  -23   15   34 o  251.480   6.3117  171.936   8.5056  174.511   12.929  169.971   11.293  253.015   9.4568  249.944   8.3617 3.070709 12.62331 
1 1 1  -23   15   35 o   76.421   14.451   16.793   5.9716   18.380   9.5893   15.788   7.6321   79.187   21.746   73.655   19.037 5.531929 28.90154 
1 1 1  -23   15   36 o  218.923   6.5258  132.417   7.6112  118.710   11.381  143.507   10.237  208.325   10.110  229.521   8.2541 -21.19597 13.05165 
1 1 1  -23   15   37 o   81.330   14.241   19.639   6.1387   18.694   9.7996   20.249   7.8753   79.354   22.058   83.307   18.018 -3.953003 28.48165 
1 1 1  -23   15   38 o   59.861   12.845   8.4847   5.9045  -7.2037   9.3668   18.829   7.6060   39.519   18.336   80.202   17.993 -40.68283 25.68972 
1 1 1  -23   15   39 o  249.977   6.3925  171.817   8.5605  163.051   12.781  178.950   11.529  243.935   9.6959  256.019   8.3334 -12.08423 12.78499 
1 1 1  -23   15   40 o   48.527   13.893   3.4582   5.7241  -0.3528   9.2574   5.8172   7.2833   46.029   19.999   51.025   19.290 -4.996113 27.78655 
1 1 1  -23   15   41 o   64.979   14.442   10.012   6.0764   20.832   9.7144   3.0579   7.7880   82.811   21.514   47.147   19.271 35.66338 28.88352 
1 1 1  -23   15   42 o  182.629   7.4678   94.493   7.1313   80.126   11.046  104.760   9.3380  169.829   12.037  195.428   8.8425 -25.59834 14.93568 
1 1 1  -23   15   43 o  155.998   8.3622   67.222   6.9452   70.793   10.901   64.781   9.0109  159.115   12.678  152.881   10.908 6.234177 16.72448 
1 1 1  -23   15   44 f  129.523   9.7796   49.285   6.5233   36.031   9.8014   59.824   8.7401  112.233   16.161  146.814   11.017 -34.58066 19.55926 
1 1 1  -23   15   45 o  254.699   8.5326  178.375   11.743   0.0000   0.0000  178.375   11.743  ?   ?   254.699   8.5326      ?      ? 
1 1 1  -23   15   46 o  146.045   8.7688   57.843   6.7847   71.635   10.997   49.366   8.6212  159.432   12.764  132.658   12.027 26.77333 17.53756 
1 1 1  -23   15   47 o  224.434   6.6932  138.703   8.0450  146.002   12.345  133.315   10.606  229.230   9.9666  219.639   8.9365 9.590607 13.38633 
1 1 1  -23   15   48 o  118.549   10.298   39.978   6.4776   42.520   10.288   38.309   8.3379  121.051   15.728  116.047   13.296 5.004166 20.59519 
1 1 1  -23   15   49 o  103.579   11.710   30.812   6.4437   34.839   10.296   28.220   8.2616  108.533   17.556   98.624   15.502 9.909317 23.42072 
1 1 1  -23   15   50 o   55.347   15.208   7.0594   6.4765   11.559   10.242   4.0611   8.3602   62.390   23.018   48.305   19.881 14.08581 30.41516 
1 1 1  -23   15   51 o  119.811   10.813   42.072   6.8565   42.252   10.810   41.952   8.8685  119.042   16.805  120.581   13.611 -1.538651 21.62589 
1 1 1  -23   15   52 o   61.441   15.961   11.966   6.9208   12.884   10.375   11.229   9.2894   63.038   23.181   59.844   21.946 3.193939 31.92153 
1 1 1  -23   15   53 o   48.074   15.833  -9.5240   10.052   4.5023   15.533 -19.6306   13.185   57.824   25.493   38.324   18.783 19.49974 31.66557 
1 1 1  -23   15   54 o   37.925   19.039 -39.6171   17.109 -39.6171   17.109   0.0000   0.0000   37.925   19.039  ?   ?       ?      ? 
1 1 1  -23   15   55 o   52.564   16.745   4.1019   10.061   0.4327   13.964   8.0631   14.509   49.184   22.667   55.944   24.653 -6.759758 33.48965 
1 1 1  -23   15   56 o   68.981   18.418   18.760   9.5168   15.455   14.859   21.059   12.392   64.813   26.570   73.150   25.513 -8.337105 36.83603 
1 1 1  -23   15   57 o  110.257   13.512   40.045   7.7707   49.264   12.433   34.135   9.9543  120.744   19.056   99.771   19.160 20.97324 27.02300 
1 1 1  -23   16    2 o  158.251   8.2585   67.895   7.0602   68.508   10.119   67.313   9.8551  158.942   11.782  157.559   11.575 1.382263 16.51694 
1 1 1  -23   16    3 o  109.306   11.085   32.498   6.5459   32.238   9.3430   32.748   9.1737  108.868   15.882  109.744   15.470 -0.8761520 22.17069 
1 1 1  -23   16    4 o  421.519   9.3689  481.182   21.340   0.0000   0.0000  481.182   21.340  ?   ?   421.519   9.3689      ?      ? 
1 1 1  -23   16    5 o  550.621   7.6734  821.497   22.827  801.110   31.999  842.623   32.573  543.660   10.892  557.581   10.811 -13.92139 15.34678 
1 1 1  -23   16    6 o  443.129   6.8503  532.046   16.397  517.409   23.241  546.553   23.138  437.041   9.8413  449.217   9.5318 -12.17599 13.70063 
1 1 1  -23   16    7 o  212.936   7.0290  122.752   8.0697  124.027   11.842  121.647   11.026  213.950   10.243  211.922   9.6284 2.027557 14.05808 
1 1 1  -23   16    8 o  307.013   6.4363  255.211   10.662  255.880   15.510  254.611   14.682  307.377   9.3380  306.650   8.8604 0.7267151 12.87265 
1 1 1  -23   16    9 o  272.477   6.7177  200.563   9.8695  208.859   14.544  193.481   13.437  277.672   9.6928  267.282   9.3036 10.39035 13.43536 
1 1 1  -23   16   10 o  514.911   7.3960  718.807   20.571  706.005   29.323  731.212   28.865  510.369   10.632  519.453   10.284 -9.084412 14.79192 
1 1 1  -23   16   11 o   68.292   15.382   12.347   6.7351   5.9717   10.150   17.361   9.0024   58.273   22.584   78.310   20.889 -20.03673 30.76317 
1 1 1  -23   16   12 o  289.125   9.0308  238.735   12.304  202.342   23.254  252.886   14.500  272.660   15.783  305.590   8.7812 -32.92987 18.06156 
1 1 1  -23   16   13 o  466.781   8.9283  582.149   20.389  613.739   38.476  569.815   24.042  474.982   14.991  458.579   9.7023 16.40274 17.85654 
1 1 1  -23   16   14 o  432.695   9.8905  507.430   23.125  507.430   23.125   0.0000   0.0000  432.695   9.8905  ?   ?       ?      ? 
1 1 1  -23   16   15 o  274.853   11.791  205.068   17.513  205.068   17.513   0.0000   0.0000  274.853   11.791  ?   ?       ?      ? 
1 1 1  -23   16   16 o  233.666   8.9562  148.135   11.295  153.131   16.465  143.694   15.525  237.363   12.837  229.969   12.493 7.394333 17.91234 
1 1 1  -23   16   17 o  226.874   9.2395  139.989   11.323  139.549   16.230  140.405   15.804  226.505   13.261  227.243   12.870 -0.7376099 18.47910 
1 1 1  -23   16   18 o  542.298   10.581  801.708   31.005  793.468   43.605  810.135   44.096  539.481   14.958  545.114   14.970 -5.632385 21.16222 
1 1 1  -23   16   19 o  164.424   9.8987   71.089   8.4224   82.455   14.548   65.359   10.330  173.814   15.489  155.035   12.330 18.77867 19.79735 
1 1 1  -23   16   20 o  118.109   11.230   38.031   7.0945   38.670   10.872   37.558   9.3625  118.882   16.925  117.336   14.766 1.546150 22.46069 
1 1 1  -23   16   21 o  233.493   6.9304  147.953   8.6686  148.037   13.152  147.889   11.527  233.483   10.425  233.503   9.1352 -0.2067566E-01 13.86084 
1 1 1  -23   16   22 o  331.345   8.6595  297.741   15.505   0.0000   0.0000  297.741   15.505  ?   ?   331.345   8.6595      ?      ? 
1 1 1  -23   16   23 o  118.475   14.201   38.340   9.0914   0.0000   0.0000   38.340   9.0914  ?   ?   118.475   14.201      ?      ? 
1 1 1  -23   16   24 o  295.936   9.4980  242.033   14.969  218.243   22.464  261.036   20.077  282.380   14.722  309.493   12.005 -27.11258 18.99597 
1 1 1  -23   16   25 o  117.747   17.631   41.201   10.441   34.932   18.148   44.302   12.765  108.840   29.926  126.654   18.651 -17.81322 35.26226 
1 1 1  -23   16   26 o  205.374   8.9535  115.728   9.7574  118.498   12.743  111.802   15.170  208.571   11.306  202.176   13.886 6.395401 17.90697 
1 1 1  -23   16   27 o  312.040   8.4672  264.328   14.277   0.0000   0.0000  264.328   14.277  ?   ?   312.040   8.4672      ?      ? 
1 1 1  -23   16   28 o  170.181   7.8723   79.434   7.1826   74.295   10.632   83.749   9.7418  164.974   11.926  175.387   10.279 -10.41257 15.74465 
1 1 1  -23   16   29 o  318.074   8.4836  274.936   14.581   0.0000   0.0000  274.936   14.581  ?   ?   318.074   8.4836      ?      ? 
1 1 1  -23   16   30 o  108.423   12.071   33.351   6.7817   30.964   10.352   35.145   8.9761  103.873   19.148  112.972   14.704 -9.098450 24.14247 
1 1 1  -23   16   31 o  306.307   6.2855  256.301   10.351  244.656   15.212  266.342   14.126  299.672   9.3943  312.942   8.3534 -13.27011 12.57105 
1 1 1  -23   16   32 f  106.960   12.539   36.219   6.4822   16.506   9.6476   52.444   8.7522   75.532   22.180  138.387   11.704 -62.85582 25.07840 
1 1 1  -23   16   33 o  182.552   7.6237   91.036   7.4289   91.784   11.450   90.491   9.7629  183.031   11.577  182.072   9.9231 0.9591370 15.24741 
1 1 1  -23   16   34 f   88.708   12.792   23.096   5.9275   18.954   9.1028   26.145   7.8103   80.284   20.811   97.132   14.880 -16.84829 25.58338 
1 1 1  -23   16   35 o  166.340   7.8022   77.283   6.8741   66.942   10.342   85.467   9.2006  155.886   12.278  176.794   9.6308 -20.90805 15.60434 
1 1 1  -23   16   36 o  121.824   9.8800   40.164   6.4213   48.344   10.088   34.593   8.3256  131.953   14.148  111.695   13.794 20.25755 19.75994 
1 1 1  -23   16   37 o  318.346   8.1695  276.479   14.053   0.0000   0.0000  276.479   14.053  ?   ?   318.346   8.1695      ?      ? 
1 1 1  -23   16   38 o   56.080   13.914   3.0112   6.1475   17.328   9.7047  -6.5838   7.9448   76.159   22.212   36.001   16.765 40.15871 27.82847 
1 1 1  -23   16   39 o  138.345   8.9832   52.700   6.5883   55.739   10.495   50.723   8.4637  141.276   13.748  135.415   11.567 5.860886 17.96636 
1 1 1  -23   16   40 o  148.383   8.3593   59.128   6.5571   70.415   10.713   52.368   8.2915  159.139   12.458  137.627   11.149 21.51245 16.71857 
1 1 1  -23   16   41 o   82.119   14.074   19.338   6.2483   28.600   9.8409   13.082   8.0877   97.854   19.297   66.384   20.492 31.47041 28.14754 
1 1 1  -23   16   42 o  142.474   8.9065   57.620   6.7079   51.740   10.279   61.982   8.8529  135.459   14.042  149.488   10.960 -14.02878 17.81295 
1 1 1  -23   16   43 o  166.021   7.9535   75.820   7.0760   82.726   10.882   70.761   9.3140  172.317   11.687  159.725   10.791 12.59189 15.90696 
1 1 1  -23   16   44 o  222.775   6.7410  136.191   7.9831  142.297   12.576  132.072   10.331  226.528   10.274  219.021   8.7294 7.507629 13.48192 
1 1 1  -23   16   45 o   97.673   11.910   27.158   6.0524   32.725   9.8324   23.762   7.6798  105.928   17.178   89.417   16.502 16.51080 23.82000 
1 1 1  -23   16   46 o  169.948   7.7674   80.926   6.9663   80.036   11.061   81.511   8.9683  168.529   12.146  171.366   9.6850 -2.836914 15.53472 
1 1 1  -23   16   47 o   97.854   12.539   29.016   6.2927   26.923   9.9384   30.416   8.1300   92.832   20.371  102.875   14.625 -10.04237 25.07751 
1 1 1  -23   16   48 o  108.483   11.796   35.284   6.5892   32.638   10.164   37.203   8.6544  103.107   18.940  113.860   14.066 -10.75312 23.59212 
1 1 1  -23   16   49 o   85.052   14.629   22.853   6.5833   25.668   10.275   20.893   8.5745   88.957   21.593   81.147   19.743 7.810707 29.25817 
1 1 1  -23   16   50 o  186.750   7.8343   98.536   7.8412   98.702   11.859   98.407   10.452  186.358   11.776  187.142   10.336 -0.7839661 15.66869 
1 1 1  -23   16   51 o  158.514   9.6677   76.814   7.8312   56.593   11.935   92.102   10.378  136.942   16.129  180.085   10.664 -43.14261 19.33549 
1 1 1  -23   16   52 o   83.001   18.460   19.192   10.189   46.261   17.194   4.5405   12.650  111.484   28.448   54.518   23.533 56.96623 36.91971 
1 1 1  -23   16   53 o   48.872   23.271 -10.9414   16.907 -10.9414   16.907   0.0000   0.0000   48.872   23.271  ?   ?       ?      ? 
1 1 1  -23   16   54 o   73.333   19.188   23.493   10.152   21.367   15.099   25.248   13.715   70.055   27.434   76.612   26.833 -6.556442 38.37520 
1 1 1  -23   16   55 o   52.759   16.581   4.1302   9.5758   0.2993   13.835   7.6532   13.267   49.783   22.802   55.735   24.079 -5.952950 33.16217 
1 1 1  -23   16   56 o   63.186   16.391   14.983   7.1676   17.776   11.624   13.269   9.1043   66.279   24.508   60.092   21.773 6.186470 32.78288 
1 1 1  -23   17    1 o  353.279   6.4306  338.420   12.263  327.695   17.564  348.621   17.129  347.787   9.3459  358.772   8.8355 -10.98477 12.86128 
1 1 1  -23   17    3 o  151.573   8.9749   62.429   7.3439   65.398   10.369   59.440   10.403  155.211   12.363  147.935   13.013 7.276474 17.94983 
1 1 1  -23   17    4 o  164.553   8.2852   73.541   7.3602   70.741   10.490   76.256   10.330  161.447   12.024  167.660   11.402 -6.212967 16.57048 
1 1 1  -23   17    5 o  445.538   6.9407  536.890   16.691  504.205   23.071  572.782   24.177  431.328   9.8987  459.749   9.7318 -28.42099 13.88135 
1 1 1  -23   17    6 o  185.985   7.8144   93.782   7.8375   94.404   11.472   93.238   10.733  186.541   11.381  185.428   10.711 1.112671 15.62887 
1 1 1  -23   17    7 o  209.177   7.3266  118.820   8.2559  115.954   12.077  121.335   11.312  206.773   10.808  211.581   9.8943 -4.807800 14.65324 
1 1 1  -23   17    8 o  329.729   6.5389  295.501   11.607  281.150   16.900  308.315   15.970  322.079   9.7104  337.378   8.7598 -15.29880 13.07774 
1 1 1  -23   17    9 o  236.177   10.082  151.230   12.867  151.230   12.867   0.0000   0.0000  236.177   10.082  ?   ?       ?      ? 
1 1 1  -23   17   10 o  240.689   7.9859  156.600   10.270  153.197   13.480  161.306   15.854  237.659   10.497  243.719   12.038 -6.059769 15.97175 
1 1 1  -23   17   11 o  328.355   11.814  292.793   20.962   0.0000   0.0000  292.793   20.962  ?   ?   328.355   11.814      ?      ? 
1 1 1  -23   17   12 o  389.833   8.8890  412.977   18.720  399.324   26.286  427.027   26.665  383.274   12.692  396.392   12.449 -13.11746 17.77801 
1 1 1  -23   17   13 o   48.176   21.618  -5.1869   11.684   0.0000   0.0000  -5.1869   11.684  ?   ?    48.176   21.618      ?      ? 
1 1 1  -23   17   14 o  444.372   13.289  537.387   31.909   0.0000   0.0000  537.387   31.909  ?   ?   444.372   13.289      ?      ? 
1 1 1  -23   17   15 o  165.575   15.684   74.842   14.033   74.842   14.033   0.0000   0.0000  165.575   15.684  ?   ?       ?      ? 
1 1 1  -23   17   16 o  173.477   9.7025   82.975   8.8275   77.590   14.055   86.483   11.344  168.585   15.428  178.370   11.770 -9.785309 19.40494 
1 1 1  -23   17   17 o  265.631   6.8354  192.569   9.7530  173.343   14.049  210.454   13.550  252.683   10.289  278.579   9.0015 -25.89536 13.67088 
1 1 1  -23   17   18 o  328.003   6.4792  292.546   11.456  275.987   16.450  308.142   15.964  318.913   9.5454  337.094   8.7639 -18.18115 12.95843 
1 1 1  -23   17   19 o  329.823   8.8007  295.065   15.685   0.0000   0.0000  295.065   15.685  ?   ?   329.823   8.8007      ?      ? 
1 1 1  -23   17   20 o  276.043   6.6981  208.018   9.9258  194.526   14.598  219.619   13.536  267.581   10.096  284.505   8.8049 -16.92334 13.39621 
1 1 1  -23   17   21 o  289.582   6.5554  228.512   10.220  215.179   14.814  240.622   14.118  281.416   9.7416  297.747   8.7746 -16.33057 13.11078 
1 1 1  -23   17   22 o  302.926   8.6449  253.285   12.408  243.919   24.076  256.673   14.480  298.370   14.933  307.483   8.7146 -9.113556 17.28978 
1 1 1  -23   17   23 o   46.673   15.650 -25.4985   9.9663  -2.0070   17.003 -37.7928   12.301   61.846   26.985   31.501   15.858 30.34461 31.29935 
1 1 1  -23   17   24 o  232.010   10.941  148.787   13.221  143.423   21.590  152.005   16.723  228.142   17.513  235.879   13.120 -7.736893 21.88278 
1 1 1  -23   17   25 o  129.206   12.695   48.560   8.2076   55.274   10.655   38.761   12.871  142.095   13.877  116.317   21.262 25.77790 25.38926 
1 1 1  -23   17   26 o  242.990   6.7160  161.247   8.7443  155.235   13.107  166.069   11.738  238.774   10.159  247.206   8.7872 -8.431595 13.43191 
1 1 1  -23   17   27 o  294.585   6.4251  235.431   10.167  241.749   15.321  230.460   13.590  298.010   9.5141  291.159   8.6377 6.850891 12.85023 
1 1 1  -23   17   28 o  234.129   6.7533  148.865   8.4887  153.225   12.831  145.472   11.320  237.073   10.016  231.186   9.0615 5.887329 13.50661 
1 1 1  -23   17   29 o  281.018   6.4047  215.751   9.6616  208.044   14.366  222.115   13.055  276.281   9.6230  285.755   8.4544 -9.474274 12.80935 
1 1 1  -23   17   30 o  238.676   6.6743  155.310   8.5475  154.927   12.862  155.613   11.439  238.288   9.9886  239.064   8.8551 -0.7766724 13.34855 
1 1 1  -23   17   31 o  110.390   12.283   35.819   6.8078   28.406   10.605   41.015   8.8786   98.720   20.548  122.060   13.461 -23.33955 24.56509 
1 1 1  -23   17   32 o  376.218   8.7667  385.772   17.822   0.0000   0.0000  385.772   17.822  ?   ?   376.218   8.7667      ?      ? 
1 1 1  -23   17   33 o  120.733   10.173   41.137   6.4910   36.109   9.8790   44.956   8.6105  113.740   16.074  127.726   12.476 -13.98679 20.34698 
1 1 1  -23   17   34 o   49.309   14.065   3.5863   5.8032   1.3677   8.8967   5.2293   7.6562   47.673   20.128   50.946   19.650 -3.273071 28.12945 
1 1 1  -23   17   35 o  155.200   8.3233   66.058   6.9240   68.802   10.567   63.993   9.1656  157.848   12.389  152.552   11.119 5.295700 16.64667 
1 1 1  -23   17   36 o  117.012   10.089   38.108   6.3119   38.429   9.6622   37.869   8.3366  117.188   15.258  116.837   13.205 0.3507156 20.17853 
1 1 1  -23   17   37 f  134.551   9.2948   49.324   6.6573   56.351   10.577   44.714   8.5670  142.137   13.771  126.966   12.487 15.17025 18.58959 
1 1 1  -23   17   38 o  150.337   8.4297   60.266   6.6968   74.845   10.965   51.593   8.4573  164.136   12.363  136.538   11.463 27.59735 16.85933 
1 1 1  -23   17   39 o   56.176   15.035   7.3247   6.1939   8.3339   9.5836   6.6008   8.1171   58.732   22.146   53.620   20.342 5.112793 30.07084 
1 1 1  -23   17   40 f  155.810   8.2774   66.372   6.8823   74.774   10.814   60.653   8.9224  163.756   12.221  147.864   11.167 15.89206 16.55476 
1 1 1  -23   17   41 o  194.862   7.1648  104.639   7.4566  106.943   11.501  102.968   9.7938  196.393   10.838  193.332   9.3748 3.061127 14.32961 
1 1 1  -23   17   42 o   92.009   12.799   23.815   6.2558   41.064   9.8483   12.148   8.0998  120.060   15.180   63.958   20.611 56.10181 25.59761 
1 1 1  -23   17   43 o   90.422   13.493   25.216   6.2498   22.156   10.395   26.947   7.8211   83.717   22.497   97.127   14.902 -13.40988 26.98506 
1 1 1  -23   17   44 o   51.842   14.455   4.4938   5.8961   10.302   9.7423   1.1370   7.4065   61.013   22.459   42.670   18.204 18.34288 28.91030 
1 1 1  -23   17   45 o  143.484   8.9243   56.754   6.8108   67.056   10.871   50.098   8.7382  153.678   13.091  133.289   12.132 20.38924 17.84865 
1 1 1  -23   17   46 o  130.753   10.091   49.964   6.9067   43.987   10.764   54.146   9.0048  122.886   16.210  138.619   12.022 -15.73322 20.18136 
1 1 1  -23   17   47 o  101.255   13.160   31.593   6.8815   29.099   10.665   33.372   9.0074   95.552   21.209  106.957   15.585 -11.40514 26.31949 
1 1 1  -23   17   48 o  103.809   12.545   32.521   6.7676   33.530   10.555   31.816   8.8188  103.504   19.590  104.114   15.675 -0.6094131 25.08910 
1 1 1  -23   17   49 o   36.790   12.405 -12.0297   6.7981  -2.5645   10.379 -19.1423   8.9968   44.032   20.007   29.548   14.671 14.48415 24.80940 
1 1 1  -23   17   50 o  127.957   10.800   48.042   7.3002   52.891   11.812   45.045   9.2860  132.031   16.556  123.883   13.872 8.147873 21.59932 
1 1 1  -23   17   51 o   87.230   15.441   25.918   10.949 -15.2275   17.972   50.203   13.807   48.407   23.298  126.053   20.271 -77.64575 30.88235 
1 1 1  -23   17   52 o  115.927   29.695   51.937   18.684   51.937   18.684   0.0000   0.0000  115.927   29.695  ?   ?       ?      ? 
1 1 1  -23   17   53 f   62.757   18.106   15.291   9.8850   11.002   14.802   18.743   13.280   58.352   25.321   67.162   25.887 -8.810200 36.21172 
1 1 1  -23   17   54 o   77.675   18.903   24.691   9.6411   23.198   14.728   25.811   12.754   74.643   27.589   80.706   25.847 -6.063133 37.80563 
1 1 1  -23   17   55 o   66.880   16.213   17.836   7.3370   13.209   11.593   20.928   9.4761   59.464   23.797   74.296   22.027 -14.83266 32.42659 
1 1 1  -23   18    1 o   95.548   13.331   25.582   6.7298   31.755   9.6832   19.814   9.3599  107.804   16.622   83.292   20.846 24.51209 26.66164 
1 1 1  -23   18    2 o  312.426   6.5207  264.630   10.989  264.780   16.022  264.496   15.101  312.478   9.4889  312.373   8.9464 0.1043701 13.04134 
1 1 1  -23   18    3 o  411.932   6.8420  460.063   15.222  440.132   21.332  480.743   21.729  402.824   9.8000  421.040   9.5505 -18.21542 13.68405 
1 1 1  -23   18    4 o  355.561   6.5923  342.665   12.650  345.141   18.389  340.441   17.429  356.750   9.5388  354.372   9.1018 2.378632 13.18451 
1 1 1  -23   18    5 o  164.941   9.6538   72.737   8.5138   65.210   11.101   83.491   13.268  154.798   13.271  175.084   14.024 -20.28629 19.30762 
1 1 1  -23   18    6 o  238.803   8.0296  154.092   10.213  150.298   13.285  159.572   15.967  235.326   10.448  242.281   12.196 -6.954605 16.05911 
1 1 1  -23   18    7 o  141.147   11.533   54.288   8.7683   52.815   11.868   56.059   13.012  139.093   15.790  143.201   16.815 -4.108276 23.06649 
1 1 1  -23   18    8 o  220.628   8.7018  132.071   10.352  144.797   14.992  120.473   14.312  230.796   12.021  210.459   12.585 20.33754 17.40366 
1 1 1  -23   18    9 o  143.096   11.594   56.544   8.7387   72.432   12.547   41.577   12.178  163.025   14.243  123.167   18.297 39.85758 23.18742 
1 1 1  -23   18   10 o  275.279   8.5198  205.710   12.660  213.243   18.419  198.964   17.431  280.030   12.172  270.527   11.924 9.503021 17.03954 
1 1 1  -23   18   11 o  154.500   11.191   65.702   9.2584   56.374   13.218   74.685   12.972  143.518   17.045  165.483   14.507 -21.96460 22.38203 
1 1 1  -23   18   12 o  149.362   10.680   64.943   8.0446   45.856   12.621   78.006   10.441  129.312   18.061  169.411   11.405 -40.09874 21.36091 
1 1 1  -23   18   13 o  332.834   6.6985  301.593   11.993  287.726   17.568  313.695   16.412  325.566   9.9863  340.101   8.9305 -14.53488 13.39702 
1 1 1  -23   18   14 o  243.563   11.014  175.125   11.604  140.405   24.334  185.345   13.202  225.770   19.946  261.356   9.3478 -35.58589 22.02787 
1 1 1  -23   18   15 f  359.316   6.7403  350.273   13.039  352.547   19.315  348.368   17.674  360.318   9.9200  358.314   9.1281 2.003876 13.48064 
1 1 1  -23   18   16 o  298.999   8.1246  243.484   12.552  243.989   15.628  242.568   21.071  299.750   9.6485  298.248   13.074 1.502014 16.24920 
1 1 1  -23   18   17 o  486.672   7.3157  644.050   19.234  629.809   27.267  658.154   27.136  481.276   10.485  492.069   10.205 -10.79276 14.63140 
1 1 1  -23   18   18 o  300.753   9.0298  245.618   14.675   0.0000   0.0000  245.618   14.675  ?   ?   300.753   9.0298      ?      ? 
1 1 1  -23   18   19 o  213.079   9.8111  123.424   11.297   0.0000   0.0000  123.424   11.297  ?   ?   213.079   9.8111      ?      ? 
1 1 1  -23   18   20 o  137.331   10.165   51.553   7.4379   52.089   11.545   51.173   9.7254  137.793   15.505  136.868   13.150 0.9253082 20.33018 
1 1 1  -23   18   21 o   90.617   16.053   24.311   10.823 -17.2500   19.027   44.189   13.159   54.863   25.679  126.372   19.270 -71.50935 32.10530 
1 1 1  -23   18   22 o  121.461   18.440   46.481   11.370   30.495   19.632   54.550   13.948  102.440   31.977  140.482   18.374 -38.04106 36.88021 
1 1 1  -23   18   23 o   59.965   18.001   1.6309   10.061  -4.6959   16.855   5.1329   12.540   59.100   26.280   60.830   24.606 -1.729748 36.00145 
1 1 1  -23   18   24 o  105.624   12.483   32.281   6.7303   26.611   10.295   36.513   8.8941   95.937   20.482  115.311   14.274 -19.37354 24.96500 
1 1 1  -23   18   25 o  246.615   6.8359  166.045   9.0666  161.298   13.379  170.077   12.329  243.239   10.179  249.990   9.1271 -6.751328 13.67173 
1 1 1  -23   18   26 o  201.046   7.4560  110.559   8.0553  108.018   11.960  112.668   10.898  198.810   11.133  203.283   9.9207 -4.472321 14.91201 
1 1 1  -23   18   27 o   51.992   14.838   3.7931   6.4421   2.1894   9.6553   5.0799   8.6486   50.924   21.198   53.061   20.768 -2.136723 29.67568 
1 1 1  -23   18   28 o  207.767   7.4095  118.624   8.2265  112.605   12.413  123.339   10.986  202.849   11.324  212.686   9.5589 -9.836853 14.81907 
1 1 1  -23   18   29 o  153.571   8.5953   64.276   7.0821   68.306   10.795   61.231   9.3839  157.665   12.671  149.476   11.618 8.189117 17.19065 
1 1 1  -23   18   30 o   72.707   15.285   15.488   6.4916   12.774   9.9487   17.501   8.5666   68.159   22.886   77.256   20.268 -9.096962 30.57025 
1 1 1  -23   18   31 o  123.930   10.079   41.887   6.6646   46.926   10.473   38.458   8.6399  129.941   14.915  117.920   13.559 12.02112 20.15726 
1 1 1  -23   18   32 o  148.890   9.1281   62.541   7.1614   53.794   10.913   69.156   9.4904  139.115   14.518  158.665   11.069 -19.54950 18.25621 
1 1 1  -23   18   33 o  223.996   8.7885  137.059   10.638   0.0000   0.0000  137.059   10.638  ?   ?   223.996   8.7885      ?      ? 
1 1 1  -23   18   34 o  123.746   9.9517   44.431   6.3532   33.455   9.6704   52.766   8.4270  109.071   16.408  138.422   11.266 -29.35150 19.90333 
1 1 1  -23   18   35 o   94.421   13.018   26.142   6.2607   24.863   10.314   26.889   7.8781   90.879   21.363   97.963   14.882 -7.084381 26.03600 
1 1 1  -23   18   36 o   89.877   13.959   24.051   6.5371   24.858   10.030   23.455   8.6192   90.767   20.884   88.988   18.527 1.778702 27.91749 
1 1 1  -23   18   37 o  165.977   8.2668   76.825   7.2751   73.776   11.306   78.979   9.5038  162.709   12.860  169.245   10.392 -6.536163 16.53352 
1 1 1  -23   18   38 o  114.278   11.736   39.622   6.6427   28.184   10.070   48.431   8.8380   96.763   19.924  131.793   12.410 -35.03025 23.47256 
1 1 1  -23   18   39 o  179.646   7.7033   88.745   7.3386   93.353   11.667   85.728   9.4402  183.076   11.793  176.216   9.9139 6.859543 15.40657 
1 1 1  -23   18   40 o   44.861   13.692  -1.8169   6.1615   5.5855   9.7357  -6.7627   7.9579   54.221   21.769   35.501   16.614 18.72018 27.38452 
1 1 1  -23   18   41 o   53.433   14.860   6.0438   6.3615   3.1395   9.7690   8.1821   8.3823   50.649   21.223   56.217   20.807 -5.567142 29.72093 
1 1 1  -23   18   42 o  110.383   12.296   38.437   6.5882   26.965   10.473   45.949   8.4751   92.898   21.316  127.868   12.266 -34.96943 24.59276 
1 1 1  -23   18   43 o   83.383   14.153   20.380   6.1781   28.156   10.238   15.927   7.7478   95.080   20.528   71.685   19.489 23.39507 28.30598 
1 1 1  -23   18   44 o   66.040   13.829   7.6319   6.4519   28.024   10.677  -4.0961   8.0975   94.063   21.479   38.016   17.424 56.04765 27.65737 
1 1 1  -23   18   45 o  175.503   7.8374   84.932   7.3270   94.472   11.579   78.561   9.4623  183.233   11.694  167.773   10.437 15.46033 15.67475 
1 1 1  -23   18   46 o   70.787   14.432   16.615   6.5324   6.0525   10.348   23.612   8.4227   54.306   22.208   87.268   18.439 -32.96203 28.86482 
1 1 1  -23   18   47 o  133.910   10.331   51.233   7.3371   56.781   11.757   47.693   9.3900  139.054   15.647  128.766   13.495 10.28828 20.66231 
1 1 1  -23   18   48 o  133.402   10.372   52.802   7.2774   50.637   11.504   54.247   9.3966  129.700   16.414  137.104   12.683 -7.403259 20.74331 
1 1 1  -23   18   49 o   41.321   13.463  -8.7263   7.1920   4.1264   11.037 -18.2119   9.4815   51.631   22.129   31.011   15.338 20.61933 26.92507 
1 1 1  -23   18   50 o  181.787   12.758   96.194   12.107  121.532   20.618   82.860   14.958  197.605   19.310  165.969   16.678 31.63605 25.51503 
1 1 1  -23   18   52 o   64.693   18.316   15.864   10.395   26.329   14.690   5.3694   14.711   76.192   27.649   53.193   24.028 22.99910 36.63120 
1 1 1  -23   18   53 o   39.900   13.760 -15.1010   9.5773 -19.0180   14.960 -12.3806   12.467   40.366   19.829   39.433   19.083 0.9334831 27.52005 
1 1 1  -23   18   54 o   77.916   16.512   23.108   7.5169   31.552   11.852   17.427   9.7224   89.086   24.057   66.745   22.623 22.34104 33.02320 
1 1 1  -23   19    1 o  242.755   8.3838  160.112   10.989  154.977   15.180  165.766   15.929  238.683   11.770  246.826   11.943 -8.142944 16.76765 
1 1 1  -23   19    2 o  415.831   8.9303  470.620   20.061  483.784   28.738  458.108   28.018  421.503   12.617  410.160   12.641 11.34366 17.86055 
1 1 1  -23   19    3 o  181.948   9.6740   90.316   9.5048   86.667   13.465   93.941   13.419  178.246   13.979  185.651   13.376 -7.404861 19.34809 
1 1 1  -23   19    4 o  280.965   8.3522  214.520   12.674  222.297   18.294  207.342   17.574  285.852   11.843  276.079   11.780 9.772614 16.70448 
1 1 1  -23   19    5 o  232.737   8.4984  147.403   10.683  153.266   15.176  141.644   15.041  237.350   11.833  228.124   12.202 9.225983 16.99681 
1 1 1  -23   19    6 o  111.767   13.853   34.926   8.1922   33.784   11.608   36.059   11.563  109.007   20.458  114.527   18.685 -5.520409 27.70643 
1 1 1  -23   19    7 o  315.820   7.3610  270.860   12.127  271.396   19.949  270.545   15.274  315.842   11.689  315.797   8.9505 0.4501343E-01 14.72192 
1 1 1  -23   19    8 o  226.076   10.053  138.817   12.281   0.0000   0.0000  138.817   12.281  ?   ?   226.076   10.053      ?      ? 
1 1 1  -23   19    9 o  200.031   7.7608  109.181   8.3533  103.577   12.187  114.147   11.472  195.103   11.560  204.959   10.358 -9.855820 15.52164 
1 1 1  -23   19   10 f  120.996   11.033   39.577   7.1621   46.713   10.792   33.959   9.5747  130.652   15.285  111.339   15.914 19.31345 22.06608 
1 1 1  -23   19   11 o  186.459   10.975   94.580   11.058   0.0000   0.0000   94.580   11.058  ?   ?   186.459   10.975      ?      ? 
1 1 1  -23   19   12 o   70.554   16.285   13.276   7.1120   15.361   10.713   11.632   9.5101   74.585   23.668   66.524   22.375 8.061020 32.57054 
1 1 1  -23   19   13 o  164.372   9.2415   76.486   7.8695   53.835   11.453   96.747   10.831  140.171   15.120  188.572   10.630 -48.40182 18.48294 
1 1 1  -23   19   14 o   86.161   14.656   21.863   7.2181   11.291   10.836   30.296   9.6777   67.395   23.831  104.926   17.069 -37.53102 29.31277 
1 1 1  -23   19   15 o  192.732   12.747  113.858   10.381   83.806   21.823  122.648   11.802  173.123   23.327  212.340   10.286 -39.21661 25.49448 
1 1 1  -23   19   16 o   50.799   15.165   0.8823   7.1917  -1.8128   10.655   3.1374   9.7467   48.791   21.323   52.807   21.569 -4.016113 30.32978 
1 1 1  -23   19   17 o  147.585   11.549   57.911   9.0151   50.867   11.409   69.617   14.708  136.154   15.507  159.016   17.117 -22.86224 23.09730 
1 1 1  -23   19   18 o  330.207   9.0845  296.232   16.210   0.0000   0.0000  296.232   16.210  ?   ?   330.207   9.0845      ?      ? 
1 1 1  -23   19   19 o  171.270   13.019   84.802   9.6211   74.955   20.745   87.501   10.860  163.381   23.497  179.160   11.217 -15.77872 26.03735 
1 1 1  -23   19   20 o  209.621   13.485  130.238   13.805  100.203   23.738  145.586   16.969  188.733   23.276  230.509   13.623 -41.77650 26.96979 
1 1 1  -23   19   21 o   97.707   20.432   28.693   11.412   23.198   19.552   31.532   14.054   92.026   32.049  103.388   25.351 -11.36237 40.86334 
1 1 1  -23   19   22 o  197.424   7.9061  106.008   8.3770  110.222   12.707  102.767   11.141  200.777   11.712  194.072   10.624 6.704514 15.81228 
1 1 1  -23   19   23 o  145.622   9.6395   59.290   7.4203   52.254   11.313   64.601   9.8301  137.606   15.215  153.638   11.841 -16.03156 19.27903 
1 1 1  -23   19   24 o  120.277   11.072   39.025   7.1072   47.220   11.131   33.386   9.2346  130.657   15.766  109.898   15.550 20.75935 22.14452 
1 1 1  -23   19   25 o  148.214   9.3079   60.885   7.3857   55.002   10.845   65.974   10.086  141.274   14.206  155.155   12.030 -13.88133 18.61583 
1 1 1  -23   19   26 o   65.869   15.851   11.584   6.9959   6.0060   10.971   15.407   9.0822   58.700   23.260   73.038   21.541 -14.33784 31.70204 
1 1 1  -23   19   27 o  175.389   8.2365   82.924   7.7202   94.079   12.059   75.177   10.050  185.122   12.055  165.657   11.227 19.46509 16.47296 
1 1 1  -23   19   28 o  138.556   9.6506   52.067   7.1505   60.144   11.134   46.396   9.3285  147.460   13.973  129.653   13.315 17.80748 19.30114 
1 1 1  -23   19   29 o   51.626   20.595   4.4238   8.6549   0.0000   0.0000   4.4238   8.6549  ?   ?    51.626   20.595      ?      ? 
1 1 1  -23   19   30 o  184.643   7.8846   94.652   7.7638   86.356   11.638  101.306   10.422  176.979   12.169  192.306   10.029 -15.32646 15.76924 
1 1 1  -23   19   31 o   77.193   14.403   18.367   6.5650   8.5349   10.076   25.621   8.6542   60.464   22.726   93.921   17.701 -33.45728 28.80647 
1 1 1  -23   19   32 o  159.308   11.309   69.912   9.7356   0.0000   0.0000   69.912   9.7356  ?   ?   159.308   11.309      ?      ? 
1 1 1  -23   19   33 o  145.641   9.0312   59.124   6.9751   57.515   10.875   60.249   9.0915  143.552   14.019  147.730   11.389 -4.177734 18.06242 
1 1 1  -23   19   34 o  186.018   7.7529   94.549   7.7210  102.677   11.922   88.677   10.133  192.650   11.452  179.386   10.454 13.26448 15.50584 
1 1 1  -23   19   35 o  155.229   8.5478   67.303   7.0707   64.219   10.786   69.626   9.3629  151.707   13.158  158.751   10.915 -7.044388 17.09552 
1 1 1  -23   19   36 o  137.591   9.4241   52.012   6.9154   59.220   10.901   47.158   8.9461  145.208   13.893  129.973   12.738 15.23476 18.84819 
1 1 1  -23   19   37 o   94.256   13.136   25.222   6.5152   38.182   10.179   16.229   8.4795  115.536   16.305   72.976   20.601 42.55971 26.27294 
1 1 1  -23   19   38 o  132.525   9.7376   49.849   6.8658   47.069   10.485   51.936   9.0846  128.726   15.073  136.323   12.333 -7.596588 19.47526 
1 1 1  -23   19   39 f   83.313   13.700   22.332   6.5117   10.676   9.9623   31.027   8.6042   62.374   22.749  104.253   15.273 -41.87862 27.40043 
1 1 1  -23   19   40 o  166.629   8.4163   78.644   7.4062   73.234   11.524   82.450   9.6670  160.982   13.248  172.276   10.384 -11.29381 16.83253 
1 1 1  -23   19   41 o   82.793   14.887   22.081   6.6192   18.589   10.858   24.147   8.3503   76.232   23.778   89.354   17.918 -13.12208 29.77342 
1 1 1  -23   19   42 o  158.348   8.8392   71.913   7.3381   66.011   11.580   75.873   9.4859  151.876   14.110  164.820   10.651 -12.94440 17.67842 
1 1 1  -23   19   43 o  138.196   10.278   57.841   7.1497   43.581   11.433   66.998   9.1621  121.656   17.392  154.736   10.958 -33.07976 20.55631 
1 1 1  -23   19   44 o   80.176   15.753   20.693   6.9528   21.574   11.165   20.136   8.8859   80.740   23.903   79.613   20.524 1.126854 31.50571 
1 1 1  -23   19   45 o  129.169   10.644   48.601   7.2034   48.901   11.671   48.416   9.1553  128.297   16.835  130.042   13.029 -1.745056 21.28738 
1 1 1  -23   19   46 o   65.200   14.758   10.395   6.6283   24.613   10.521   1.0366   8.5352   86.111   22.399   44.289   19.223 41.82219 29.51658 
1 1 1  -23   19   47 o  117.974   11.447   41.601   7.2563   46.158   10.996   38.085   9.6580  123.408   16.489  112.541   15.881 10.86662 22.89321 
1 1 1  -23   19   48 o   63.713   18.451   8.3026   8.6805   22.441   18.292   4.1933   9.8616   77.240   30.210   50.186   21.191 27.05386 36.90140 
1 1 1  -23   19   49 o   61.147   27.039   5.7748   17.602   5.7748   17.602   0.0000   0.0000   61.147   27.039  ?   ?       ?      ? 
1 1 1  -23   19   51 o   60.350   18.061   12.438   10.182   14.804   14.646   10.225   14.165   62.811   26.124   57.890   24.946 4.920425 36.12105 
1 1 1  -23   19   52 o   45.456   14.971  -2.1308   7.9873  -0.0470   15.315  -2.9093   9.3612   50.911   23.560   40.001   18.479 10.90987 29.94206 
1 1 1  -23   19   53 o   73.234   16.659   20.934   7.4370   27.726   11.765   16.414   9.5978   81.795   24.611   64.674   22.459 17.12103 33.31787 
1 1 1  -23   20    1 o   63.503   15.323   10.324   6.4173   13.060   8.8130   7.2353   9.3629   68.643   21.424   58.362   21.913 10.28151 30.64625 
1 1 1  -23   20    2 o   97.458   14.049   27.202   7.1457   27.409   10.241   27.005   9.9756   97.787   20.054   97.128   19.681 0.6589813 28.09774 
1 1 1  -23   20    3 o  451.908   7.1830  555.698   17.529  533.084   24.825  578.179   24.753  442.670   10.378  461.145   9.9335 -18.47534 14.36607 
1 1 1  -23   20    4 o  191.539   8.0117  100.330   8.2561   91.016   11.799  109.265   11.556  182.707   11.951  200.371   10.673 -17.66409 16.02349 
1 1 1  -23   20    5 o  119.978   12.035   41.403   7.2781   28.861   10.451   53.214   10.142  100.421   19.962  139.535   13.451 -39.11405 24.07085 
1 1 1  -23   20    6 o  242.522   9.5690  159.847   12.540   0.0000   0.0000  159.847   12.540  ?   ?   242.522   9.5690      ?      ? 
1 1 1  -23   20    7 o  241.989   7.0142  159.404   9.1554  155.577   13.256  162.894   12.660  239.156   10.258  244.822   9.5694 -5.665939 14.02830 
1 1 1  -23   20    8 o  359.098   9.2575  350.318   17.964   0.0000   0.0000  350.318   17.964  ?   ?   359.098   9.2575      ?      ? 
1 1 1  -23   20    9 o  159.771   11.913   69.596   10.285   0.0000   0.0000   69.596   10.285  ?   ?   159.771   11.913      ?      ? 
1 1 1  -23   20   10 o  234.841   7.1348  150.871   8.9995  137.306   13.041  163.206   12.435  224.600   10.745  245.082   9.3897 -20.48187 14.26969 
1 1 1  -23   20   11 o  111.563   12.897   35.814   7.2020   52.980   10.463   20.355   9.9288  139.162   13.913   83.965   21.719 55.19704 25.79362 
1 1 1  -23   20   12 o  131.791   10.384   47.674   7.3826   45.595   10.592   49.638   10.296  128.926   15.203  134.656   14.149 -5.730499 20.76891 
1 1 1  -23   20   13 o   77.900   15.836   17.072   7.0966   21.488   10.421   13.253   9.6907   86.144   22.236   69.656   22.554 16.48728 31.67248 
1 1 1  -23   20   14 f  255.738   7.0022  178.823   9.6270  163.805   13.911  192.626   13.337  245.273   10.496  266.202   9.2716 -20.92992 14.00431 
1 1 1  -23   20   15 o  102.864   13.101   29.841   7.1037   28.813   10.367   30.750   9.7536  100.183   19.851  105.545   17.102 -5.361908 26.20203 
1 1 1  -23   20   16 o   68.342   18.278   10.865   8.7527  -6.1622   20.624   14.605   9.6665   64.576   28.867   72.107   22.427 -7.530281 36.55524 
1 1 1  -23   20   17 o  123.629   17.836   55.392   9.9397   23.829   20.716   64.831   11.329   93.530   32.963  153.728   13.638 -60.19766 35.67266 
1 1 1  -23   20   18 o   66.074   19.536   3.5838   11.905 -10.2838   20.765   10.374   14.530   61.769   28.156   70.380   27.091 -8.610500 39.07256 
1 1 1  -23   20   19 o   67.270   19.868   3.6872   12.435 -12.4031   21.736   11.516   15.161   61.967   28.455   72.573   27.736 -10.60643 39.73684 
1 1 1  -23   20   20 o   60.358   16.982   6.2061   8.2970   9.6933   10.058  -1.2223   14.679   63.150   22.884   57.566   25.096 5.584278 33.96305 
1 1 1  -23   20   21 o   50.782   14.822  -0.3197   6.8544   8.5738   10.777  -6.3607   8.8824   62.303   23.487   39.261   18.088 23.04172 29.64493 
1 1 1  -23   20   22 o  178.254   8.3733   87.617   8.0112   79.153   11.609   95.311   11.069  169.808   12.652  186.700   10.972 -16.89217 16.74669 
1 1 1  -23   20   23 o  246.930   9.2697  166.213   12.369   0.0000   0.0000  166.213   12.369  ?   ?   246.930   9.2697      ?      ? 
1 1 1  -23   20   24 o  257.543   9.0661  180.831   12.617   0.0000   0.0000  180.831   12.617  ?   ?   257.543   9.0661      ?      ? 
1 1 1  -23   20   25 o  151.576   11.669   63.087   9.5574   0.0000   0.0000   63.087   9.5574  ?   ?   151.576   11.669      ?      ? 
1 1 1  -23   20   26 o  135.052   10.083   51.023   7.1749   48.390   11.313   52.795   9.2803  131.689   15.897  138.414   12.408 -6.724548 20.16625 
1 1 1  -23   20   27 o  174.362   8.3873   81.534   7.7961   98.644   12.290   70.014   10.085  189.226   12.020  159.498   11.701 29.72786 16.77458 
1 1 1  -23   20   28 o  115.075   12.436   39.655   7.1261   29.528   10.979   47.027   9.3673   99.837   21.016  130.312   13.303 -30.47463 24.87233 
1 1 1  -23   20   29 o  176.673   8.1649   85.036   7.7263   93.057   11.915   79.215   10.150  183.644   12.007  169.702   11.068 13.94188 16.32990 
1 1 1  -23   20   30 o   76.025   14.911   16.106   6.8306   26.790   10.204   7.4315   9.1946   94.885   20.500   57.165   21.659 37.71972 29.82231 
1 1 1  -23   20   31 o   65.396   14.645   11.774   6.5981   1.5667   10.042   19.529   8.7527   50.066   21.274   80.725   20.133 -30.65891 29.29052 
1 1 1  -23   20   32 o  118.693   10.586   39.409   6.7123   41.141   10.384   38.167   8.7972  120.607   15.934  116.780   13.941 3.827271 21.17152 
1 1 1  -23   20   33 o  116.604   11.130   38.686   6.8376   37.399   10.826   39.539   8.8190  114.353   17.521  118.854   13.732 -4.500587 22.26041 
1 1 1  -23   20   34 o  111.733   11.485   36.646   6.5479   32.359   10.184   39.668   8.5493  104.449   18.732  119.016   13.293 -14.56681 22.96966 
1 1 1  -23   20   35 o   55.679   15.308   6.9084   6.5392   6.2792   10.310   7.3318   8.4582   56.239   22.465   55.119   20.800 1.120197 30.61552 
1 1 1  -23   20   36 o   50.339   14.611   3.7686   6.2795   4.2949   9.8047   3.4025   8.1765   52.544   21.567   48.134   19.719 4.410679 29.22264 
1 1 1  -23   20   37 o   46.916   14.085   1.7969   6.1641   0.9167   9.5719   2.4206   8.0573   47.548   20.497   46.284   19.324 1.264362 28.17007 
1 1 1  -23   20   38 o   48.126   14.503   1.9268   6.5863   0.2602   10.362   3.0566   8.5317   48.227   21.053   48.026   19.954 0.2006416 29.00661 
1 1 1  -23   20   39 o  265.222   6.8514  196.649   9.6896  182.629   14.615  207.645   12.943  256.085   10.562  274.359   8.7303 -18.27429 13.70279 
1 1 1  -23   20   40 f  188.832   10.093   99.230   10.299   0.0000   0.0000   99.230   10.299  ?   ?   188.832   10.093      ?      ? 
1 1 1  -23   20   41 o   64.331   14.716   8.9907   6.7631   23.728   10.547  -1.2997   8.8135   85.892   22.468   42.771   19.012 43.12088 29.43214 
1 1 1  -23   20   42 o   95.340   13.772   27.370   6.7407   32.625   10.816   24.033   8.6195  102.300   20.282   88.379   18.635 13.92115 27.54342 
1 1 1  -23   20   43 f   50.037   14.532   3.7395   6.6903  -3.6798   10.586   8.6736   8.6329   43.869   20.038   56.204   21.054 -12.33412 29.06487 
1 1 1  -23   20   44 o   57.442   15.633   8.7268   6.6998   9.8224   10.825   8.0466   8.5298   60.003   23.303   54.882   20.845 5.120899 31.26595 
1 1 1  -23   20   45 o  152.352   9.6594   66.053   7.8566   79.981   12.274   56.386   10.226  165.586   13.718  139.118   13.603 26.46768 19.31886 
1 1 1  -23   20   46 o   40.218   13.232  -5.8327   7.1154 -12.3951   11.160  -1.3384   9.2358   37.931   18.282   42.505   19.134 -4.573906 26.46431 
1 1 1  -23   20   47 o  157.492   15.658   83.462   12.138   64.099   18.758   97.410   15.920  134.711   26.712  180.274   16.343 -45.56288 31.31519 
1 1 1  -23   20   49 o   67.213   27.680   19.624   16.218   19.624   16.218   0.0000   0.0000   67.213   27.680  ?   ?       ?      ? 
1 1 1  -23   20   50 o   48.882   15.865  -1.3112   9.7478  -8.1644   14.097   4.9685   13.494   44.429   21.181   53.335   23.625 -8.906700 31.72973 
1 1 1  -23   20   51 o   56.998   23.416   10.951   11.571   10.951   11.571   0.0000   0.0000   56.998   23.416  ?   ?       ?      ? 
1 1 1  -23   21    1 o  110.389   11.506   33.541   6.8611   32.584   9.5584   34.559   9.8546  108.766   16.263  112.012   16.281 -3.246262 23.01231 
1 1 1  -23   21    2 o  260.751   9.6144  184.942   13.547   0.0000   0.0000  184.942   13.547  ?   ?   260.751   9.6144      ?      ? 
1 1 1  -23   21    3 f   45.181   14.103  -2.5153   6.7432  -1.7435   9.6996  -3.2372   9.3811   46.420   20.314   43.942   19.569 2.478367 28.20638 
1 1 1  -23   21    4 o  370.470   9.4859  373.264   18.990   0.0000   0.0000  373.264   18.990  ?   ?   370.470   9.4859      ?      ? 
1 1 1  -23   21    5 f   78.844   14.996   17.735   6.7014   23.600   9.6322   12.233   9.3294   90.417   20.221   67.271   22.149 23.14533 29.99134 
1 1 1  -23   21    6 o  110.631   11.848   33.870   7.0567   31.974   10.232   35.589   9.7447  107.551   17.607  113.711   15.859 -6.160004 23.69603 
1 1 1  -23   21    7 o   62.762   15.402   9.4805   6.7060   3.8691   9.7119   14.594   9.2710   53.629   21.668   71.895   21.895 -18.26590 30.80410 
1 1 1  -23   21    8 o  238.480   9.9509  154.833   12.823   0.0000   0.0000  154.833   12.823  ?   ?   238.480   9.9509      ?      ? 
1 1 1  -23   21    9 o  281.097   6.7893  215.229   10.303  208.970   14.751  221.191   14.396  277.049   9.8530  285.144   9.3433 -8.095428 13.57857 
1 1 1  -23   21   10 o  162.061   8.8163   71.756   7.6964   79.884   11.106   64.244   10.676  170.951   12.022  153.171   12.899 17.77959 17.63252 
1 1 1  -23   21   11 o  195.631   7.8254  105.401   8.1624   86.060   11.564  124.608   11.523  177.396   12.063  213.867   9.9712 -36.47119 15.65072 
1 1 1  -23   21   12 o  205.822   7.7273  116.419   8.5324  106.473   12.473  125.167   11.698  197.351   11.696  214.294   10.102 -16.94307 15.45465 
1 1 1  -23   21   13 o  122.078   11.083   41.031   7.3009   43.592   10.665   38.772   10.016  125.647   15.708  118.508   15.640 7.139481 22.16655 
1 1 1  -23   21   14 o   68.224   16.028   12.282   7.0455   16.592   10.175   8.3126   9.7655   76.013   22.890   60.435   22.440 15.57763 32.05513 
1 1 1  -23   21   15 o  139.582   15.769   41.890   9.7552   82.275   23.667   33.625   10.707  169.270   25.875  109.895   18.030 59.37414 31.53736 
1 1 1  -23   21   16 o   94.620   21.986   24.753   12.580   32.027   21.170   20.782   15.641  103.477   33.318   85.763   28.696 17.71378 43.97237 
1 1 1  -23   21   17 o  183.927   14.586   97.008   13.808   88.559   22.715  101.959   17.389  176.214   23.856  191.639   16.792 -15.42593 29.17298 
1 1 1  -23   21   18 o  114.772   16.136   34.125   9.6895   19.244   12.019   61.757   16.377   81.436   24.954  148.108   20.463 -66.67238 32.27170 
1 1 1  -23   21   19 o  245.103   8.9058  163.217   11.272  159.130   13.937  170.946   19.165  241.267   10.690  248.939   14.247 -7.672363 17.81156 
1 1 1  -23   21   20 o  210.451   7.7367  121.276   8.7895  119.523   12.661  122.907   12.212  208.914   11.215  211.988   10.661 -3.073624 15.47339 
1 1 1  -23   21   21 o  130.062   16.394   47.113   11.522   47.113   11.522   0.0000   0.0000  130.062   16.394  ?   ?       ?      ? 
1 1 1  -23   21   22 o   60.810   15.525   8.0016   6.8405   14.525   10.098   2.4704   9.2987   71.412   23.013   50.209   20.843 21.20367 31.04944 
1 1 1  -23   21   23 o  218.947   7.5420  131.293   8.8402  132.671   13.477  130.252   11.712  219.741   11.350  218.154   9.9351 1.587326 15.08405 
1 1 1  -23   21   24 o  216.337   7.5143  128.077   8.7036  130.766   13.295  126.060   11.514  218.111   11.280  214.563   9.9308 3.547867 15.02857 
1 1 1  -23   21   25 o   59.675   15.643   8.4089   6.7340   10.278   9.6728   6.6514   9.3806   62.953   22.488   56.397   21.751 6.555523 31.28592 
1 1 1  -23   21   26 o  237.745   7.1309  155.911   9.0857  133.958   12.902  177.504   12.797  220.783   10.815  254.708   9.2974 -33.92470 14.26186 
1 1 1  -23   21   27 o  127.949   10.374   45.763   7.1151   45.213   10.715   46.196   9.5162  126.988   15.615  128.911   13.661 -1.922798 20.74711 
1 1 1  -23   21   28 o  263.104   9.0490  189.596   12.865   0.0000   0.0000  189.596   12.865  ?   ?   263.104   9.0490      ?      ? 
1 1 1  -23   21   29 o   68.219   15.824   13.391   6.7422   15.511   9.9020   11.558   9.2057   72.204   22.738   64.234   22.013 7.969963 31.64749 
1 1 1  -23   21   30 o   61.770   14.507   9.8434   6.5589  -1.3046   10.217   17.659   8.5544   46.980   20.696   76.560   20.334 -29.58028 29.01382 
1 1 1  -23   21   31 o   67.885   15.386   12.752   6.5216   18.928   9.9787   8.1465   8.6165   78.678   22.397   57.092   21.103 21.58598 30.77229 
1 1 1  -23   21   32 o   75.925   15.376   17.490   6.5806   19.069   10.062   16.309   8.6990   78.625   22.527   73.225   20.935 5.400269 30.75221 
1 1 1  -23   21   33 o   41.174   13.316  -4.9190   6.5139  -2.7415   10.197  -6.4202   8.4664   45.088   20.217   37.259   17.336 7.828579 26.63201 
1 1 1  -23   21   34 o  104.695   12.809   31.934   7.0547   37.184   10.481   27.585   9.5390  113.610   17.073   95.780   19.100 17.82924 25.61858 
1 1 1  -23   21   35 o  136.485   10.026   52.659   7.2969   53.622   11.299   51.969   9.5569  137.051   15.257  135.919   13.012 1.132095 20.05235 
1 1 1  -23   21   36 o   62.890   15.741   11.259   6.5966   12.050   10.391   10.725   8.5376   64.769   23.289   61.011   21.182 3.758205 31.48164 
1 1 1  -23   21   37 o   67.813   16.011   13.469   6.8260   17.886   10.783   10.515   8.8177   75.006   23.740   60.620   21.490 14.38541 32.02185 
1 1 1  -23   21   38 o   47.206   14.393   1.4331   6.5810  -0.1736   10.611   2.4374   8.3894   47.872   21.090   46.540   19.592 1.331394 28.78627 
1 1 1  -23   21   39 o  155.211   9.0907   68.205   7.5261   68.893   11.618   67.707   9.8794  155.303   13.844  155.119   11.786 0.1844788 18.18139 
1 1 1  -23   21   40 o   45.326   14.117  -3.2075   6.7046   6.0772   11.003  -8.6913   8.4559   55.785   22.866   34.867   16.560 20.91808 28.23307 
1 1 1  -23   21   41 o  162.127   9.1137   73.871   7.8402   81.263   12.533   69.119   10.049  168.046   13.802  156.208   11.905 11.83841 18.22737 
1 1 1  -23   21   42 o   51.635   20.941   5.5138   9.1084   0.0000   0.0000   5.5138   9.1084  ?   ?    51.635   20.941      ?      ? 
1 1 1  -23   21   43 o   49.885   14.651   2.4469   7.1929  -7.8899   10.975   10.231   9.5235   40.824   19.232   58.946   22.107 -18.12199 29.30153 
1 1 1  -23   21   44 o  151.035   9.7475   65.897   7.8451   72.999   12.366   61.114   10.149  157.044   14.572  145.026   12.951 12.01785 19.49499 
1 1 1  -23   21   45 o   57.176   15.659   6.3974   7.3562   17.206   11.367  -1.3904   9.6491   70.866   24.451   43.487   19.569 27.37883 31.31763 
1 1 1  -23   21   46 o   48.172   23.568 -23.8514   20.491 -23.8514   20.491   0.0000   0.0000   48.172   23.568  ?   ?       ?      ? 
1 1 1  -23   21   48 o   47.487   15.886  -4.4375   10.831  -1.6322   15.062  -7.4414   15.586   48.904   22.877   46.070   22.048 2.834171 31.77180 
1 1 1  -23   21   49 o  105.218   16.142   35.555   8.3124   53.198   15.588   28.545   9.8261  119.396   24.964   91.039   20.471 28.35729 32.28393 
1 1 1  -23   21   50 o   41.313   13.592  -3.1015   7.2162   2.3110   11.280  -6.8507   9.3886   46.566   21.037   36.060   17.217 10.50629 27.18451 
1 1 1  -23   22    1 o  145.149   9.9373   58.235   7.7274   49.379   10.882   67.242   10.975  133.773   15.055  156.525   12.975 -22.75212 19.87465 
1 1 1  -23   22    2 o   49.038   14.532   1.0834   6.6207   4.5210   9.1175  -2.7513   9.6296   53.148   21.159   44.927   19.926 8.220814 29.06455 
1 1 1  -23   22    3 o   97.535   13.481   26.979   6.9215   17.671   9.4074   37.963   10.220   77.956   21.591  117.114   16.149 -39.15797 26.96276 
1 1 1  -23   22    4 o  383.513   6.9240  401.161   14.333  396.467   20.695  405.489   19.870  381.267   10.045  385.760   9.5323 -4.493713 13.84791 
1 1 1  -23   22    5 o  363.647   9.4103  360.265   18.492   0.0000   0.0000  360.265   18.492  ?   ?   363.647   9.4103      ?      ? 
1 1 1  -23   22    6 o  121.738   11.167   41.012   7.3392   39.034   10.390   42.982   10.368  118.735   16.194  124.742   15.382 -6.007195 22.33497 
1 1 1  -23   22    7 o  357.300   9.4745  347.866   18.293   0.0000   0.0000  347.866   18.293  ?   ?   357.300   9.4745      ?      ? 
1 1 1  -23   22    8 o  285.332   6.9393  222.087   10.690  219.451   15.380  224.551   14.870  283.634   10.035  287.030   9.5874 -3.396149 13.87859 
1 1 1  -23   22    9 o  183.870   8.3215   92.776   8.2476   86.639   11.779   98.680   11.552  177.787   12.260  189.953   11.255 -12.16626 16.64298 
1 1 1  -23   22   10 o   43.357   13.601  -4.1602   6.6154 -10.3681   9.5462   1.5756   9.1761   37.721   17.821   48.994   20.551 -11.27294 27.20125 
1 1 1  -23   22   11 o  135.579   10.160   51.043   7.3721   43.467   10.497   58.415   10.355  125.360   15.497  145.799   13.144 -20.43956 20.32024 
1 1 1  -23   22   12 o  246.973   9.7450  166.372   13.005   0.0000   0.0000  166.372   13.005  ?   ?   246.973   9.7450      ?      ? 
1 1 1  -23   22   13 o  183.982   13.084   98.979   10.241   87.320   22.417  102.055   11.512  174.810   23.731  193.153   11.030 -18.34294 26.16882 
1 1 1  -23   22   14 o   98.648   20.132   30.440   12.795   7.7297   20.794   44.279   16.232   75.295   31.206  122.002   25.445 -46.70700 40.26473 
1 1 1  -23   22   15 o  121.486   20.545   46.371   13.063   36.847   23.087   50.856   15.844  109.206   34.755  133.765   21.919 -24.55858 41.08996 
1 1 1  -23   22   16 o  205.778   10.041  117.698   10.539  119.175   12.982  114.842   18.049  208.465   11.524  203.092   16.446 5.372787 20.08203 
1 1 1  -23   22   17 o  285.122   9.4333  221.972   14.534   0.0000   0.0000  221.972   14.534  ?   ?   285.122   9.4333      ?      ? 
1 1 1  -23   22   18 o  163.376   16.487   81.400   10.092   72.342   24.543   83.243   11.072  152.740   30.800  174.013   11.775 -21.27296 32.97364 
1 1 1  -23   22   19 o   86.648   13.292   21.413   7.5365  -1.0773   10.761   43.065   10.558   49.054   21.434  124.241   15.727 -75.18669 26.58442 
1 1 1  -23   22   20 o  301.146   8.6454  246.848   13.422  239.695   16.551  260.586   22.937  295.702   10.358  306.590   13.845 -10.88770 17.29086 
1 1 1  -23   22   21 o  103.256   14.296   31.323   7.6848   31.685   11.121   30.992   10.632  103.707   20.570  102.805   19.857 0.9022598 28.59118 
1 1 1  -23   22   22 f  394.919   9.4625  426.811   20.193   0.0000   0.0000  426.811   20.193  ?   ?   394.919   9.4625      ?      ? 
1 1 1  -23   22   23 o  210.716   7.7308  122.264   8.7400  120.697   13.116  123.516   11.722  209.269   11.598  212.164   10.224 -2.895370 15.46155 
1 1 1  -23   22   24 o  193.365   8.1172  103.070   8.4523  103.688   12.494  102.548   11.477  193.741   11.934  192.988   11.006 0.7520447 16.23440 
1 1 1  -23   22   25 o  106.146   13.316   33.127   7.3628   29.254   10.918   36.358   9.9716   98.799   21.092  113.492   16.260 -14.69298 26.63147 
1 1 1  -23   22   26 o   72.338   16.224   15.474   7.1100   16.872   10.442   14.266   9.7081   74.946   23.309   69.729   22.574 5.216911 32.44847 
1 1 1  -23   22   27 o   63.131   15.671   9.9837   6.7987   15.982   10.250   5.2715   9.0847   73.109   23.146   53.152   21.133 19.95701 31.34254 
1 1 1  -23   22   28 o   78.030   15.359   17.382   6.8481   26.206   10.741   11.338   8.8893   92.678   21.810   63.381   21.631 29.29647 30.71794 
1 1 1  -23   22   29 o  169.975   8.7401   80.238   7.9818   83.238   12.031   77.879   10.668  172.570   12.902  167.381   11.794 5.188904 17.48024 
1 1 1  -23   22   30 o   98.524   13.363   28.316   6.9437   34.443   10.433   23.444   9.3032  109.215   17.679   87.833   20.044 21.38174 26.72618 
1 1 1  -23   22   31 o   73.150   14.418   15.677   6.7732   4.2074   9.6870   26.648   9.4742   52.234   21.438   94.066   19.286 -41.83258 28.83667 
1 1 1  -23   22   32 o   66.831   16.012   13.218   6.8785   12.013   10.553   14.109   9.0701   65.302   23.471   68.361   21.787 -3.058632 32.02476 
1 1 1  -23   22   33 o   58.609   14.294   5.7971   6.8449  -7.8088   9.7536   19.000   9.6082   39.242   18.374   77.975   21.901 -38.73258 28.58715 
1 1 1  -23   22   34 o  109.908   12.354   35.190   7.2876   35.979   10.994   34.572   9.7333  110.555   18.403  109.261   16.486 1.293571 24.70712 
1 1 1  -23   22   35 o  262.438   7.1281  190.663   10.061  198.406   15.091  184.468   13.498  266.937   10.462  257.939   9.6842 8.997894 14.25622 
1 1 1  -23   22   36 o  169.144   8.9943   80.021   8.1266   87.405   12.673   74.865   10.591  175.279   13.380  163.010   12.023 12.26909 17.98863 
1 1 1  -23   22   37 f   81.542   15.867   21.965   7.4269   15.729   11.404   26.557   9.7867   70.790   24.487   92.293   20.186 -21.50307 31.73467 
1 1 1  -23   22   38 o  164.098   9.5763   78.519   8.1245   69.999   13.107   83.835   10.353  155.264   15.623  172.931   11.079 -17.66734 19.15263 
1 1 1  -23   22   39 o   51.784   15.259   4.3736   7.1815  -0.1548   11.529   7.2446   9.1800   49.064   21.780   54.503   21.378 -5.438972 30.51886 
1 1 1  -23   22   40 o   47.242   14.577   0.8094   7.0996  -2.7353   10.748   3.5529   9.4560   45.007   20.415   49.477   20.813 -4.469746 29.15406 
1 1 1  -23   22   41 o   58.144   15.766   9.3575   7.1745   4.2739   11.288   12.803   9.2932   52.774   22.493   63.514   22.097 -10.73977 31.53121 
1 1 1  -23   22   42 f  152.232   9.7505   68.101   7.8619   67.103   12.302   68.789   10.222  150.023   15.175  154.441   12.248 -4.418060 19.50093 
1 1 1  -23   22   43 o   97.178   15.126   30.937   7.5791   32.399   12.159   30.008   9.6923   97.319   23.408   97.037   19.164 0.2815323 30.25231 
1 1 1  -23   22   44 f   43.929   15.207 -24.5146   12.414 -42.9054   19.961 -12.9144   15.853   41.394   20.751   46.464   22.236 -5.070000 30.41467 
1 1 1  -23   22   47 o   70.824   16.258   19.406   8.5642   2.8604   14.508   28.256   10.610   52.626   23.809   89.023   22.147 -36.39674 32.51668 
1 1 1  -23   22   48 o   59.206   16.334   12.850   7.5087   12.468   11.737   13.114   9.7694   58.732   23.788   59.679   22.389 -0.9478531 32.66706 
1 1 1  -23   23    1 o  217.362   7.4446  129.165   8.7349  137.336   12.478  121.314   12.232  224.156   10.302  210.568   10.750 13.58827 14.88912 
1 1 1  -23   23    2 o  105.522   12.221   31.068   6.9681   31.407   9.8407   30.727   9.8681  106.123   17.160  104.922   17.405 1.201920 24.44232 
1 1 1  -23   23    3 o   64.914   14.151   9.7389   6.5599   21.208   9.1852  -2.2017   9.3719   85.096   20.265   44.733   19.758 40.36333 28.30295 
1 1 1  -23   23    4 o  157.784   9.0650   68.232   7.6630   81.242   11.198   56.772   10.509  172.045   12.045  143.523   13.551 28.52272 18.13006 
1 1 1  -23   23    5 o  148.977   12.982   61.077   10.451   0.0000   0.0000   61.077   10.451  ?   ?   148.977   12.982      ?      ? 
1 1 1  -23   23    6 o  218.974   7.4161  130.984   8.7692  135.145   12.693  127.185   12.129  222.276   10.568  215.671   10.407 6.604904 14.83227 
1 1 1  -23   23    7 o  195.845   11.105  105.067   11.752   0.0000   0.0000  105.067   11.752  ?   ?   195.845   11.105      ?      ? 
1 1 1  -23   23    8 o   78.178   15.070   17.516   7.0086   26.617   9.9995   8.7277   9.8260   95.474   20.022   60.881   22.529 34.59289 30.14002 
1 1 1  -23   23    9 o  185.246   8.2012   93.938   8.1989  100.139   11.935   88.396   11.283  191.030   11.562  179.462   11.634 11.56767 16.40244 
1 1 1  -23   23   10 o  181.585   8.2629   90.832   8.0789   86.110   11.726   95.098   11.146  176.930   12.265  186.240   11.076 -9.310104 16.52588 
1 1 1  -23   23   11 o   71.570   20.042   9.5786   9.3929   13.917   22.034   8.6151   10.384   81.796   32.781   61.345   23.068 20.45095 40.08439 
1 1 1  -23   23   12 o   63.605   19.782  -0.8457   12.667  -0.8917   21.235  -0.8203   15.783   67.904   29.878   59.306   25.934 8.598232 39.56315 
1 1 1  -23   23   13 o  278.187   11.549  218.822   16.989  202.951   26.304  230.180   22.253  268.335   18.141  288.039   14.297 -19.70459 23.09765 
1 1 1  -23   23   14 o  223.159   9.8848  139.137   11.238  141.406   13.843  134.752   19.245  226.839   11.293  219.480   16.227 7.359222 19.76967 
1 1 1  -23   23   15 o  243.034   9.9245  161.735   13.034   0.0000   0.0000  161.735   13.034  ?   ?   243.034   9.9245      ?      ? 
1 1 1  -23   23   16 o  122.251   11.942   43.525   7.3994   31.463   10.608   54.954   10.326  103.682   19.654  140.821   13.570 -37.13908 23.88357 
1 1 1  -23   23   17 o   45.540   14.305  -3.1590   7.1688  -7.2885   10.329   0.6792   9.9578   41.932   19.385   49.148   21.041 -7.215897 28.60955 
1 1 1  -23   23   18 o  109.967   17.654   34.159   10.490   0.0000   0.0000   34.159   10.490  ?   ?   109.967   17.654      ?      ? 
1 1 1  -23   23   19 f  118.962   19.425   38.265   9.7207   52.207   24.336   35.618   10.603  125.662   34.697  112.261   17.479 13.40086 38.85094 
1 1 1  -23   23   20 o  257.908   7.3345  182.993   10.208  174.596   14.558  191.115   14.318  251.945   10.693  263.871   10.042 -11.92606 14.66906 
1 1 1  -23   23   21 o  133.471   13.389   49.999   9.3064   47.306   11.580   54.910   15.639  129.386   16.562  137.556   21.040 -8.170288 26.77707 
1 1 1  -23   23   22 o  196.496   8.0236  106.802   8.4791  105.657   12.576  107.756   11.481  195.305   11.916  197.688   10.748 -2.383621 16.04716 
1 1 1  -23   23   23 o   43.779   14.002  -4.0910   7.0868  -3.0451   10.268  -5.0425   9.7933   45.316   20.305   42.241   19.286 3.075333 28.00446 
1 1 1  -23   23   24 o   46.440   14.301  -0.9426   6.8872  -5.6793   10.291   2.8998   9.2688   42.848   19.640   50.031   20.793 -7.183243 28.60257 
1 1 1  -23   23   25 o  106.802   12.813   32.614   7.1457   41.009   10.864   26.212   9.4868  119.947   16.761   93.657   19.384 26.29012 25.62563 
1 1 1  -23   23   26 o   73.084   15.717   16.021   7.1664   8.8886   10.360   22.565   9.9236   60.405   22.966   85.764   21.464 -25.35895 31.43457 
1 1 1  -23   23   27 o   70.346   15.580   13.606   7.0699   23.156   10.562   5.8535   9.5160   86.328   22.436   54.363   21.624 31.96427 31.16088 
1 1 1  -23   23   28 o   57.201   15.767   7.1351   7.0093   9.1468   10.492   5.5137   9.4196   60.752   23.108   53.649   21.458 7.102741 31.53451 
1 1 1  -23   23   29 o   75.545   16.189   17.785   7.2645   14.692   10.779   20.359   9.8332   70.112   23.820   80.977   21.931 -10.86534 32.37859 
1 1 1  -23   23   30 o   85.614   15.291   22.548   7.0482   25.962   10.666   19.902   9.3904   91.207   21.915   80.021   21.329 11.18644 30.58103 
1 1 1  -23   23   31 o   90.327   14.928   25.669   7.1658   22.371   10.622   28.423   9.7074   83.960   22.817   96.695   19.255 -12.73569 29.85587 
1 1 1  -23   23   32 o  157.042   9.2366   70.224   7.7093   66.554   11.825   72.937   10.167  152.740   14.327  161.344   11.662 -8.603760 18.47326 
1 1 1  -23   23   33 o  126.905   11.227   46.563   7.6144   47.378   11.684   45.962   10.039  127.244   16.993  126.566   14.679 0.6782684 22.45475 
1 1 1  -23   23   34 o   86.919   14.083   21.665   7.3034   40.878   11.243   7.6383   9.6061  117.628   17.688   56.211   21.918 61.41751 28.16535 
1 1 1  -23   23   35 o   57.125   15.562   6.9734   7.3659  -1.3905   11.021   13.727   9.9029   47.405   21.153   66.845   22.831 -19.44012 31.12416 
1 1 1  -23   23   36 o   70.155   15.732   13.299   7.3729   26.237   11.359   3.8796   9.6920   89.576   23.260   50.733   21.188 38.84306 31.46431 
1 1 1  -23   23   37 o   48.420   14.849   0.9472   7.4244  -5.3922   11.542   5.4219   9.6969   44.375   20.506   52.464   21.481 -8.089340 29.69743 
1 1 1  -23   23   38 f   56.093   15.714   7.7047   7.1161   5.2887   10.982   9.4532   9.3428   54.060   22.564   58.127   21.877 -4.066730 31.42849 
1 1 1  -23   23   39 o   88.781   15.696   25.521   7.5253   33.404   11.633   19.849   9.8684  100.642   22.004   76.920   22.388 23.72165 31.39100 
1 1 1  -23   23   40 o   54.158   15.369   6.4246   7.4417  -2.4871   11.564   12.723   9.7221   45.757   20.917   62.559   22.524 -16.80188 30.73829 
1 1 1  -23   23   41 o   51.233   14.789  -4.2493   7.6493   17.240   11.995 -18.9778   9.9305   70.710   25.065   31.756   15.705 38.95367 29.57870 
1 1 1  -23   23   42 o  106.395   16.937   36.150   10.720   14.214   13.935   67.950   16.778   67.088   26.332  145.702   21.311 -78.61319 33.87481 
1 1 1  -23   23   45 o   58.625   17.190   10.727   8.9304   7.4595   14.845   12.580   11.179   56.719   24.968   60.530   23.633 -3.811878 34.37941 
1 1 1  -23   23   46 o  161.500   10.222   78.987   8.8604   89.968   13.505   70.689   11.740  171.012   14.615  151.987   14.295 19.02515 20.44348 
1 1 1  -23   23   47 o   50.324   15.404   5.2163   7.7346   12.583   11.975  -0.0570   10.132   57.909   23.809   42.738   19.552 15.17090 30.80877 
1 1 1  -23   24    1 o   73.082   15.124   15.458   6.9626   6.1389   10.253   23.432   9.4849   57.123   22.533   89.042   20.179 -31.91894 30.24826 
1 1 1  -23   24    2 o  106.058   13.341   31.794   7.2659   48.614   11.084   19.119   9.6217  131.953   15.545   80.163   21.687 51.79008 26.68250 
1 1 1  -23   24    3 o  255.461   10.343  178.927   14.277  178.927   14.277   0.0000   0.0000  255.461   10.343  ?   ?       ?      ? 
1 1 1  -23   24    4 o   35.115   11.847 -13.3988   6.4389 -21.3708   9.0834  -5.3471   9.1287   29.630   14.717   40.600   18.569 -10.96952 23.69350 
1 1 1  -23   24    5 o   57.473   15.202   6.6178   6.6677   1.2543   9.3138   12.256   9.5497   48.459   20.535   66.488   22.422 -18.02854 30.40406 
1 1 1  -23   24    6 o   77.243   15.691   17.673   6.9100   16.195   9.7068   19.191   9.8391   74.225   22.359   80.261   22.021 -6.035965 31.38248 
1 1 1  -23   24    7 o   57.992   15.397   6.9456   6.7704   11.898   9.7027   2.2461   9.4518   65.926   22.599   50.058   20.917 15.86868 30.79325 
1 1 1  -23   24    8 o   65.794   16.388   11.447   7.2337   12.973   10.639   10.136   9.8647   68.663   23.657   62.925   22.685 5.737839 32.77576 
1 1 1  -23   24    9 o   69.376   21.340  -0.3831   14.653   10.856   23.738  -7.3018   18.625   79.928   33.252   58.824   26.756 21.10417 42.68001 
1 1 1  -23   24   10 o   70.546   20.711   3.7744   14.238 -16.8784   22.402   17.770   18.442   59.168   27.748   81.923   30.755 -22.75490 41.42286 
1 1 1  -23   24   11 o   67.798   20.490   1.8327   14.057 -15.8311   22.935   12.459   17.789   60.491   28.275   75.105   29.664 -14.61441 40.98083 
1 1 1  -23   24   12 o  133.632   10.898   50.202   7.8090   43.498   11.087   56.803   11.000  124.401   16.493  142.863   14.250 -18.46172 21.79637 
1 1 1  -23   24   13 f  135.496   10.613   50.908   7.6841   62.334   11.366   41.291   10.428  149.670   14.054  121.322   15.907 28.34885 21.22576 
1 1 1  -23   24   14 f   48.679   14.433   0.6787   6.6108  -4.2093   9.0863   6.1760   9.6360   41.474   18.796   55.883   21.907 -14.40879 28.86546 
1 1 1  -23   24   15 o  170.996   11.828   80.785   10.929   0.0000   0.0000   80.785   10.929  ?   ?   170.996   11.828      ?      ? 
1 1 1  -23   24   16 o   54.467   15.570   4.8182   7.0952   5.6796   10.238   4.0222   9.8422   55.993   22.379   52.941   21.655 3.052700 31.14078 
1 1 1  -23   24   17 o  225.403   10.937  140.165   13.322  140.165   13.322   0.0000   0.0000  225.403   10.937  ?   ?       ?      ? 
1 1 1  -23   24   18 o   63.477   16.346   10.569   7.2799   9.5667   10.595   11.465   10.020   62.201   23.319   64.753   22.913 -2.552105 32.69250 
1 1 1  -23   24   19 o   99.695   14.647   29.483   7.5605   32.623   11.700   27.232   9.9066  103.926   21.542   95.464   19.851 8.461937 29.29362 
1 1 1  -23   24   20 o   59.643   18.651  -0.3570   8.9087   8.7297   21.904  -2.1580   9.7517   74.315   31.491   44.972   19.994 29.34295 37.30215 
1 1 1  -23   24   21 o  173.911   11.108   86.304   10.208   89.141   13.279   82.207   15.959  178.355   13.778  169.467   17.427 8.888138 22.21574 
1 1 1  -23   24   22 o   59.512   16.455   6.6359   8.4391   13.752   10.386  -7.1937   14.479   68.666   23.381   50.357   23.161 18.30885 32.91098 
1 1 1  -23   24   23 o  145.444   10.016   58.795   7.8155   68.342   11.897   51.547   10.366  155.691   14.142  135.196   14.189 20.49536 20.03289 
1 1 1  -23   24   24 o   88.188   15.040   24.098   7.1711   18.818   10.222   29.214   10.063   77.907   22.817   98.470   19.601 -20.56297 30.08015 
1 1 1  -23   24   25 o  214.812   7.8014  128.277   9.0349  124.840   13.117  131.378   12.463  211.845   11.459  217.778   10.590 -5.933182 15.60289 
1 1 1  -23   24   26 o   67.765   15.421   11.319   7.1758   23.691   10.875   1.7778   9.5498   86.889   22.855   48.641   20.709 38.24832 30.84220 
1 1 1  -23   24   27 o   93.243   14.081   25.587   7.2258   41.394   10.941   13.359   9.6232  119.615   16.927   66.872   22.508 52.74278 28.16267 
1 1 1  -23   24   28 f   56.806   15.574   6.3003   7.3349  -1.2540   10.668   13.072   10.101   47.236   20.961   66.376   23.041 -19.13997 31.14864 
1 1 1  -23   24   29 o  145.773   10.052   60.632   7.8854   59.635   11.624   61.482   10.732  144.283   14.909  147.262   13.487 -2.979828 20.10454 
1 1 1  -23   24   30 o   73.262   16.466   16.971   7.3229   18.161   10.683   15.916   10.058   75.354   23.599   71.171   22.970 4.183075 32.93265 
1 1 1  -23   24   31 o   69.494   16.472   15.039   7.2297   15.700   11.114   14.554   9.5190   70.678   24.187   68.309   22.367 2.369713 32.94380 
1 1 1  -23   24   32 o   43.157   13.923  -4.0195   7.2068  -5.8887   10.727  -2.4819   9.7296   42.710   19.748   43.603   19.633 -0.8928108 27.84673 
1 1 1  -23   24   33 f  153.548   9.8537   67.652   8.0596   66.068   12.376   68.819   10.620  151.208   15.147  155.888   12.608 -4.679398 19.70747 
1 1 1  -23   24   34 o   49.644   15.182   1.8984   7.4849  -0.4433   11.431   3.6563   9.9034   48.702   21.650   50.586   21.291 -1.884399 30.36464 
1 1 1  -23   24   35 o   42.623   13.774  -4.1701   7.0209  -0.5379   10.729  -6.8905   9.2850   47.095   20.953   38.152   17.883 8.943298 27.54721 
1 1 1  -23   24   36 o  140.034   10.850   56.955   8.0998   60.748   12.668   54.332   10.534  143.180   16.374  136.887   14.241 6.293167 21.70081 
1 1 1  -23   24   37 f  127.638   12.524   51.601   8.0179   38.842   11.915   62.161   10.839  109.255   20.944  146.021   13.737 -36.76592 25.04748 
1 1 1  -23   24   38 o   61.757   16.573   11.972   7.5840   12.236   11.448   11.766   10.124   62.419   24.042   61.095   22.817 1.323769 33.14502 
1 1 1  -23   24   39 o  110.196   14.895   40.118   8.5515   30.081   12.352   49.357   11.851   92.899   24.321  127.493   17.202 -34.59354 29.78922 
1 1 1  -23   24   40 o  148.796   16.751   68.622   12.215   33.559   15.500  126.081   19.842   94.696   28.193  202.896   18.098 -108.2007 33.50237 
1 1 1  -23   24   43 o   38.432   19.116 -26.2613   15.549   0.0000   0.0000 -26.2613   15.549  ?   ?    38.432   19.116      ?      ? 
1 1 1  -23   24   44 o   88.299   16.426   30.107   8.1374   23.948   12.320   34.873   10.838   76.716   25.462   99.883   20.758 -23.16689 32.85125 
1 1 1  -23   24   45 o   41.890   13.913  -3.7162   7.8853   0.5096   12.130  -6.8086   10.377   45.902   21.145   37.878   18.090 8.024403 27.82676 
1 1 1  -23   25    2 o  119.964   12.299   42.248   7.5456   33.015   11.017   50.407   10.356  105.606   20.039  134.323   14.268 -28.71664 24.59894 
1 1 1  -23   25    3 o   81.249   15.546   19.941   6.9989   21.039   9.8632   18.827   9.9329   83.490   21.672   79.008   22.295 4.482315 31.09264 
1 1 1  -23   25    4 o   74.190   15.805   16.435   6.8713   17.557   9.5905   15.251   9.8495   76.466   22.017   71.914   22.681 4.551788 31.61009 
1 1 1  -23   25    5 o   43.514   13.388  -6.9212   6.7464 -19.7722   9.4941   6.1866   9.5884   31.376   15.486   55.652   21.842 -24.27565 26.77516 
1 1 1  -23   25    6 o  100.177   23.557   32.623   14.741   30.180   24.375   34.032   18.510   97.747   35.594  102.607   30.868 -4.859322 47.11453 
1 1 1  -23   25    7 o  102.998   23.146   30.909   14.688   52.365   24.099   18.227   18.527  124.531   34.581   81.465   30.774 43.06522 46.29179 
1 1 1  -23   25    8 o   73.068   21.592   2.7029   14.021   24.009   24.189  -8.0788   17.207   90.925   34.967   55.211   25.340 35.71430 43.18320 
1 1 1  -23   25    9 o  164.722   13.137   74.984   10.197   72.095   11.748   83.806   20.532  160.761   13.524  168.682   22.526 -7.921005 26.27367 
1 1 1  -23   25   10 o  248.739   7.4414  170.502   10.001  170.799   14.230  170.212   14.060  248.928   10.579  248.551   10.469 0.3774109 14.88286 
1 1 1  -23   25   11 o  145.645   9.9542   59.364   7.8253   63.249   11.192   55.648   10.945  150.415   13.770  140.874   14.378 9.540115 19.90839 
1 1 1  -23   25   12 o   50.409   14.965   2.3865   6.9068   3.5265   9.6048   1.1657   9.9392   51.593   21.281   49.225   21.047 2.367645 29.93062 
1 1 1  -23   25   13 o  176.861   8.5141   86.798   8.1296   86.830   11.266   86.763   11.743  176.995   11.779  176.726   12.296 0.2689514 17.02811 
1 1 1  -23   25   14 o   66.608   15.724   11.835   7.1728   4.1931   10.177   19.377   10.111   53.545   21.975   79.670   22.497 -26.12437 31.44885 
1 1 1  -23   25   15 o   96.846   14.160   28.166   7.4997   44.735   10.910   13.321   10.327  125.584   16.077   68.107   23.314 57.47651 28.31969 
1 1 1  -23   25   16 o   80.945   15.509   20.327   7.3059   12.338   10.692   27.325   10.006   66.566   23.657   95.324   20.061 -28.75826 31.01790 
1 1 1  -23   25   17 o   68.581   16.334   13.691   7.1727   15.461   10.451   12.115   9.8622   71.796   23.433   65.367   22.762 6.429611 32.66861 
1 1 1  -23   25   18 o  139.110   10.700   54.891   8.0298   58.760   11.412   51.096   11.301  144.174   14.648  134.046   15.602 10.12814 21.40006 
1 1 1  -23   25   19 o   63.771   15.483   9.9262   7.3107  -0.3505   10.543   19.444   10.146   48.356   21.170   79.187   22.598 -30.83130 30.96516 
1 1 1  -23   25   20 f  127.320   11.756   46.942   7.9637   43.215   12.033   49.847   10.623  122.021   18.249  132.619   14.824 -10.59769 23.51130 
1 1 1  -23   25   21 o  186.252   13.969   99.336   10.614  105.901   25.430   97.951   11.680  184.896   25.452  187.608   11.521 -2.712173 27.93817 
1 1 1  -23   25   22 o  201.371   17.776  117.635   19.343   0.0000   0.0000  117.635   19.343  ?   ?   201.371   17.776      ?      ? 
1 1 1  -23   25   23 o  189.874   10.965  106.902   10.470  115.654   13.036   90.991   17.577  203.426   11.859  176.322   18.448 27.10426 21.93039 
1 1 1  -23   25   24 o  183.240   11.879   93.993   11.762   0.0000   0.0000   93.993   11.762  ?   ?   183.240   11.879      ?      ? 
1 1 1  -23   25   25 o   81.580   13.895   18.660   7.4471   37.543   10.889   2.0695   10.207  113.214   17.800   49.946   21.341 63.26767 27.78970 
1 1 1  -23   25   26 o  107.284   13.142   34.267   7.4386   38.268   10.921   30.804   10.160  114.174   17.701  100.394   19.431 13.78054 26.28445 
1 1 1  -23   25   27 o  133.236   11.227   51.308   7.9992   61.403   11.648   42.297   11.005  146.235   14.740  120.238   16.938 25.99774 22.45341 
1 1 1  -23   25   28 o  190.849   8.5858  103.141   8.8062   97.655   12.909  107.915   12.043  185.585   12.873  196.113   11.365 -10.52759 17.17162 
1 1 1  -23   25   29 o   59.124   16.210   8.8552   7.4054   8.0696   10.707   9.5757   10.254   58.242   23.010   60.005   22.839 -1.763145 32.42051 
1 1 1  -23   25   30 o  131.763   11.337   51.782   7.8270   41.972   11.720   59.680   10.516  118.802   18.257  144.723   13.446 -25.92093 22.67401 
1 1 1  -23   25   31 o   86.216   16.059   24.441   7.6057   22.283   11.241   26.263   10.329   81.926   23.909   90.506   21.447 -8.580177 32.11894 
1 1 1  -23   25   32 o   70.140   16.886   15.882   7.6033   16.897   11.615   15.121   10.058   71.723   24.718   68.556   23.011 3.167137 33.77104 
1 1 1  -23   25   33 o  180.517   9.2510   94.238   8.9217   81.790   12.921  105.582   12.334  168.073   14.227  192.961   11.829 -24.88828 18.50201 
1 1 1  -23   25   34 o   77.779   16.859   20.461   7.8082   24.428   11.441   17.002   10.683   84.377   23.969   71.181   23.714 13.19507 33.71732 
1 1 1  -23   25   35 o   67.888   16.325   14.106   7.8675   24.981   11.529   4.6294   10.763   84.048   24.123   51.727   22.003 32.32143 32.65033 
1 1 1  -23   25   36 o  175.272   9.4237   88.326   8.8427   97.275   13.668   81.885   11.597  182.288   13.876  168.256   12.755 14.03239 18.84746 
1 1 1  -23   25   37 o  113.158   17.612   42.186   10.104   36.479   12.467   53.108   17.246  104.333   22.755  121.982   26.888 -17.64839 35.22445 
1 1 1  -23   25   38 o   61.536   17.796   6.5929   10.906   20.277   14.163 -13.3401   17.093   75.087   27.164   47.985   22.997 27.10192 35.59128 
1 1 1  -23   25   39 o  119.054   29.619   57.860   18.977   0.0000   0.0000   57.860   18.977  ?   ?   119.054   29.619      ?      ? 
1 1 1  -23   25   41 o   75.081   20.734   25.351   12.595   18.137   22.230   28.761   15.284   68.214   30.264   81.948   28.348 -13.73463 41.46732 
1 1 1  -23   25   42 o   37.634   12.837 -12.3084   8.0707 -22.7847   11.893  -3.3657   10.988   33.131   16.518   42.137   19.654 -9.005993 25.67341 
1 1 1  -23   25   43 o   63.288   15.481   14.437   7.8351   0.1300   11.681   26.137   10.564   45.030   20.745   81.547   22.985 -36.51659 30.96252 
1 1 1  -23   26    1 o   53.009   14.934   4.1380   6.7011  -1.0574   9.3402   9.6489   9.6196   45.111   19.833   60.908   22.333 -15.79617 29.86794 
1 1 1  -23   26    2 o   50.697   14.615   1.4732   6.8182  -6.1204   9.4861   9.5886   9.8066   40.367   18.632   61.027   22.522 -20.65976 29.22962 
1 1 1  -23   26    3 o   90.236   22.685   17.135   10.331   46.396   28.075   12.552   11.110  113.210   38.443   67.262   24.093 45.94758 45.36903 
1 1 1  -23   26    4 o   91.677   23.515   19.127   15.294   49.054   26.564   4.2905   18.704  116.864   37.290   66.491   28.658 50.37357 47.03039 
1 1 1  -23   26    5 o   64.579   20.616  -2.2953   14.814 -11.9257   26.274   2.1930   17.936   65.516   30.503   63.642   27.743 1.873436 41.23229 
1 1 1  -23   26    6 o   65.086   18.846   0.4386   9.2066  -5.8093   10.374   23.604   19.976   42.810   19.659   87.362   32.160 -44.55151 37.69219 
1 1 1  -23   26    7 o   94.211   15.088   27.276   7.4999   29.651   10.222   24.507   11.038   99.457   19.716   88.966   22.843 10.49092 30.17503 
1 1 1  -23   26    8 o   59.295   15.811   8.6437   6.9108   8.4218   9.7716   8.8658   9.7750   58.929   22.328   59.660   22.392 -0.7302628 31.62214 
1 1 1  -23   26    9 o   59.780   15.802   8.8706   6.9367   6.4831   9.8910   11.182   9.7309   56.027   22.122   63.532   22.570 -7.505211 31.60354 
1 1 1  -23   26   10 o   61.682   15.867   9.7801   7.0851   14.084   9.7859   5.0381   10.272   68.845   22.685   54.520   22.191 14.32464 31.73419 
1 1 1  -23   26   11 o   83.122   15.550   21.533   7.2368   26.393   10.040   16.278   10.440   93.130   20.506   73.114   23.382 20.01529 31.10068 
1 1 1  -23   26   12 o  131.925   10.786   49.252   7.6687   54.490   11.196   44.623   10.525  138.637   14.946  125.213   15.555 13.42325 21.57185 
1 1 1  -23   26   13 o   53.037   15.300   4.0715   7.0513   7.8989   10.094   0.4231   9.8548   58.319   22.543   47.756   20.692 10.56372 30.59977 
1 1 1  -23   26   14 o   45.716   14.288  -1.2557   6.9110  -0.8462   9.2672  -1.7686   10.373   44.971   19.764   46.461   20.640 -1.489845 28.57663 
1 1 1  -23   26   15 o   46.584   14.178  -2.1499   7.0366 -11.5754   10.203   6.4010   9.7177   37.724   17.994   55.445   21.916 -17.72129 28.35678 
1 1 1  -23   26   16 o  218.926   8.0147  133.268   9.4624  133.912   13.836  132.701   12.969  219.230   11.680  218.623   10.978 0.6071320 16.02934 
1 1 1  -23   26   17 o   71.154   16.650   15.331   7.4792   13.543   10.522   17.157   10.633   67.863   23.518   74.444   23.576 -6.580910 33.30047 
1 1 1  -23   26   18 o   73.957   16.067   16.836   7.3645   10.533   10.603   22.711   10.237   62.724   23.364   85.189   22.062 -22.46516 32.13460 
1 1 1  -23   26   19 o   53.338   15.196   3.9242   7.2569  -4.2236   10.821   10.584   9.7830   44.779   20.378   61.897   22.548 -17.11777 30.39188 
1 1 1  -23   26   20 f  159.790   9.6409   72.426   8.2752   82.205   11.825   63.040   11.584  170.809   12.812  148.771   14.410 22.03870 19.28177 
1 1 1  -23   26   21 o   91.074   15.872   27.101   7.8860   20.173   12.005   32.359   10.459   79.106   25.050  103.042   19.498 -23.93581 31.74418 
1 1 1  -23   26   22 o   58.922   18.254   3.8672   9.0258   1.6964   21.611   4.3259   9.9337   65.670   29.439   52.174   21.592 13.49637 36.50858 
1 1 1  -23   26   23 o  111.070   17.360   39.288   9.6698   37.562   11.801   42.815   16.869  110.145   20.584  111.994   27.961 -1.848366 34.72085 
1 1 1  -23   26   24 o  137.007   15.237   65.361   9.5279   81.129   11.941   37.725   15.807  169.046   13.072  104.968   27.528 64.07777 30.47442 
1 1 1  -23   26   25 o   48.321   14.984   0.1533   7.5093   2.0896   10.843  -1.6315   10.410   50.731   21.843   45.910   20.517 4.820782 29.96762 
1 1 1  -23   26   26 o  152.854   10.341   66.103   8.4108   84.156   12.685   51.939   11.236  171.778   13.666  133.929   15.525 37.84871 20.68295 
1 1 1  -23   26   27 o   91.998   15.126   26.262   8.0696   41.961   11.870   12.773   11.003  118.482   18.540   65.514   23.906 52.96767 30.25281 
1 1 1  -23   26   28 o   61.946   16.032   9.9985   7.6469   1.4028   11.011   18.007   10.628   49.816   21.726   74.076   23.582 -24.25980 32.06422 
1 1 1  -23   26   29 o   44.989   14.230  -3.6891   7.4962 -12.0988   10.715   4.3735   10.491   37.752   18.123   52.226   21.944 -14.47327 28.46020 
1 1 1  -23   26   30 o  198.986   8.6846  113.494   9.2597  100.620   13.372  125.354   12.835  187.270   13.214  210.702   11.273 -23.43208 17.36916 
1 1 1  -23   26   31 o   70.409   17.349   16.596   8.1147   15.581   11.820   17.500   11.160   68.802   24.827   72.016   24.239 -3.213997 34.69744 
1 1 1  -23   26   32 o  108.272   14.777   39.437   8.3119   27.282   12.114   50.251   11.426   87.600   24.586  128.945   16.399 -41.34526 29.55333 
1 1 1  -23   26   33 o   46.257   14.817  -3.5080   8.2665   4.5441   11.782 -11.3158   11.602   53.032   22.801   39.481   18.928 13.55118 29.63355 
1 1 1  -23   26   34 o   35.109   12.449 -28.9819   9.0642 -33.8233   11.469 -20.9257   14.794   29.523   14.917   40.696   19.935 -11.17379 24.89826 
1 1 1  -23   26   35 o  137.850   15.646   61.301   11.625   57.613   15.764   65.698   17.210  133.630   21.831  142.071   22.418 -8.441238 31.29159 
1 1 1  -23   26   36 o   82.385   19.916   25.905   10.661   21.122   14.217   32.050   16.115   75.114   27.209   89.655   29.090 -14.54124 39.83181 
1 1 1  -23   26   37 o   67.274   17.263   7.7523   11.090   39.730   15.866 -22.7928   15.506   95.388   28.552   39.161   19.412 56.22700 34.52600 
1 1 1  -23   26   38 o   55.423   24.868   6.5203   15.459   0.0000   0.0000   6.5203   15.459  ?   ?    55.423   24.868      ?      ? 
1 1 1  -23   26   39 o   65.753   19.704   15.578   12.848   3.5135   21.064   22.725   16.212   58.418   27.236   73.089   28.481 -14.67179 39.40788 
1 1 1  -23   26   40 o   41.971   13.895  -5.8568   8.0971   3.5074   11.702 -14.4583   11.215   48.634   21.742   35.309   17.309 13.32510 27.79066 
1 1 1  -23   27    1 o   67.873   21.562  -1.5426   15.959   9.4887   26.110  -8.1216   20.164   77.065   33.536   58.680   27.112 18.38468 43.12452 
1 1 1  -23   27    2 o   69.682   22.013   1.8193   16.614   3.0946   26.331   0.9759   21.414   73.020   32.632   66.344   29.554 6.675781 44.02568 
1 1 1  -23   27    3 o  136.580   17.854   65.814   10.222   71.799   11.616   45.270   21.522  159.714   13.460  113.446   33.075 46.26797 35.70853 
1 1 1  -23   27    4 o   42.938   13.446  -5.2423   6.8958   4.2974   9.1157 -18.0048   10.544   51.234   20.885   34.642   16.940 16.59159 26.89119 
1 1 1  -23   27    5 o   67.688   16.297   13.591   7.1659   15.134   9.4916   11.547   10.928   70.505   22.268   64.872   23.800 5.633171 32.59357 
1 1 1  -23   27    6 o   78.573   15.901   18.953   7.1206   15.724   9.6198   22.866   10.590   71.665   22.386   85.480   22.587 -13.81448 31.80151 
1 1 1  -23   27    7 o   57.648   15.528   7.7799   6.8406   11.094   9.5730   4.3220   9.7784   62.875   22.381   52.421   21.530 10.45414 31.05521 
1 1 1  -23   27    8 o   64.095   16.223   11.546   7.1189   10.765   9.8350   12.404   10.318   62.482   22.631   65.708   23.251 -3.226074 32.44688 
1 1 1  -23   27    9 o   73.197   16.125   16.103   7.3425   10.146   10.191   22.533   10.588   61.732   22.924   84.663   22.686 -22.93116 32.25095 
1 1 1  -23   27   10 o   58.799   15.684   8.7443   6.7557   8.3892   8.9734   9.2090   10.264   57.355   21.469   60.243   22.870 -2.888035 31.36769 
1 1 1  -23   27   11 o   82.385   15.793   21.282   7.3380   26.419   10.464   16.312   10.293   92.194   21.413   72.575   23.218 19.61934 31.58519 
1 1 1  -23   27   12 o   75.612   16.011   17.702   7.1902   22.474   10.367   13.277   9.9813   84.444   22.364   66.779   22.919 17.66505 32.02275 
1 1 1  -23   27   13 o   97.159   14.081   29.627   7.5767   47.962   10.840   12.112   10.594  129.269   15.518   65.049   23.500 64.21922 28.16117 
1 1 1  -23   27   14 o   44.135   14.067  -2.8980   7.0815  -2.5324   9.8195  -3.2942   10.222   44.056   19.790   44.214   19.996 -0.1587486 28.13344 
1 1 1  -23   27   15 o   66.356   14.365   9.0135   6.9243  -3.7892   9.1260   26.384   10.630   41.134   18.717   91.577   21.796 -50.44334 28.72960 
1 1 1  -23   27   16 o  118.976   12.770   42.094   7.7644   55.585   11.356   30.250   10.640  139.139   15.104   98.813   20.595 40.32642 25.53953 
1 1 1  -23   27   17 o   49.315   15.057   1.0000   7.3980   4.2809   10.624  -2.0882   10.308   53.219   22.202   45.410   20.346 7.809513 30.11446 
1 1 1  -23   27   18 o   49.282   15.093   1.2465   7.3963   2.3124   10.828   0.3142   10.127   51.078   21.906   47.485   20.769 3.592487 30.18690 
1 1 1  -23   27   19 f   39.335   13.048  -7.7932   6.9806  -8.7884   9.4917  -6.6208   10.302   37.509   17.736   41.160   19.142 -3.650810 26.09573 
1 1 1  -23   27   20 o  140.441   10.701   56.896   8.1124   57.928   11.777   55.964   11.191  141.489   15.404  139.393   14.857 2.096191 21.40103 
1 1 1  -23   27   21 o   57.918   16.139   7.8250   7.4590   10.138   10.814   5.7260   10.302   61.430   23.438   54.407   22.193 7.023911 32.27782 
1 1 1  -23   27   22 o   85.408   15.768   23.196   7.6010   31.653   11.065   15.638   10.460  100.395   21.068   70.422   23.465 29.97260 31.53501 
1 1 1  -23   27   23 o   99.812   20.755   27.670   9.4745   52.185   23.712   23.013   10.335  115.222   35.000   84.403   22.320 30.81940 41.51063 
1 1 1  -23   27   24 o   68.963   18.467   13.792   8.7580   12.423   10.337   17.277   16.489   64.123   23.205   73.804   28.733 -9.681587 36.93328 
1 1 1  -23   27   25 o  164.786   12.227   80.994   10.435   81.061   13.090   80.878   17.285  167.199   14.488  162.374   19.700 4.824051 24.45426 
1 1 1  -23   27   26 o   72.157   17.055   16.986   8.1200   11.117   11.729   22.388   11.253   62.722   24.285   81.591   23.952 -18.86834 34.10996 
1 1 1  -23   27   27 o   96.183   16.306   31.219   8.4273   25.974   12.457   35.644   11.443   86.727   25.129  105.639   20.786 -18.91247 32.61162 
1 1 1  -23   27   28 o   52.633   15.831   3.3905   8.1895   9.6186   11.455  -3.1208   11.713   59.370   23.691   45.897   21.007 13.47326 31.66290 
1 1 1  -23   27   29 o  192.615   12.655  107.433   13.172   0.0000   0.0000  107.433   13.172  ?   ?   192.615   12.655      ?      ? 
1 1 1  -23   27   30 o   80.665   19.285   23.216   9.8685   18.136   12.646   31.126   15.781   71.741   25.704   89.590   28.758 -17.84900 38.57068 
1 1 1  -23   27   31 o   46.550   15.518 -12.9743   10.200 -24.7523   13.509   2.6441   15.556   36.758   18.203   56.342   25.137 -19.58314 31.03549 
1 1 1  -23   27   32 o   95.742   20.379   35.189   11.501   37.793   15.030   31.509   17.866  102.266   26.854   89.218   30.661 13.04798 40.75818 
1 1 1  -23   27   33 o  152.948   15.425   77.133   12.593   81.149   17.001   72.252   18.745  159.904   19.676  145.992   23.761 13.91202 30.85020 
1 1 1  -23   27   34 o   57.519   17.525   7.0311   10.852   18.133   14.357  -7.7680   16.576   67.414   26.641   47.624   22.777 19.79040 35.05092 
1 1 1  -23   27   35 o  101.056   16.317   34.930   9.6009   66.757   15.845   16.467   12.069  137.638   21.305   64.474   24.721 73.16353 32.63480 
1 1 1  -23   27   36 o   80.491   20.735   30.174   13.814   8.1689   23.164   42.320   17.209   62.239   28.863   98.744   29.777 -36.50491 41.46936 
1 1 1  -23   27   37 o   61.943   19.286   13.138   12.515   8.4842   21.510   15.520   15.388   60.180   27.874   63.707   26.661 -3.526691 38.57153 
1 1 1  -23   27   38 o   45.627   15.192  -7.4270   9.2318 -17.7548   11.551   10.831   15.359   34.131   16.889   57.123   25.258 -22.99154 30.38490 
1 1 1  -23   28    1 o  144.016   10.330   59.788   7.9714   64.666   10.936   54.258   11.643  150.968   13.406  137.064   15.721 13.90425 20.66049 
1 1 1  -23   28    2 o   93.910   14.929   27.672   7.3790   28.689   10.060   26.488   10.856   96.472   19.957   91.347   22.208 5.124321 29.85794 
1 1 1  -23   28    3 o  174.387   9.0656   85.052   8.4793   72.072   11.429  100.941   12.646  159.469   13.263  189.305   12.362 -29.83641 18.13120 
1 1 1  -23   28    4 o   69.343   15.816   12.761   7.3441   4.0167   9.6823   24.608   11.270   51.313   21.283   87.374   23.401 -36.06069 31.63161 
1 1 1  -23   28    5 o  100.861   14.644   31.621   7.6447   31.943   10.108   31.190   11.685  102.508   18.947   99.215   22.334 3.293488 29.28763 
1 1 1  -23   28    6 o   81.483   15.831   20.907   7.6120   12.192   10.612   30.145   10.925   64.813   23.503   98.153   21.217 -33.34012 31.66294 
1 1 1  -23   28    7 o   90.761   15.082   26.303   7.4176   33.564   10.380   18.725   10.604  105.057   18.983   76.465   23.441 28.59151 30.16341 
1 1 1  -23   28    8 o  145.580   14.496   60.697   11.403   0.0000   0.0000   60.697   11.403  ?   ?   145.580   14.496      ?      ? 
1 1 1  -23   28    9 o  157.739   13.935   70.996   11.878   0.0000   0.0000   70.996   11.878  ?   ?   157.739   13.935      ?      ? 
1 1 1  -23   28   10 o  121.474   11.913   43.350   7.7683   45.252   10.579   41.124   11.444  125.012   15.660  117.937   17.958 7.074364 23.82683 
1 1 1  -23   28   11 o   55.719   15.314   5.4063   7.0859  -1.8106   9.6478   13.859   10.441   44.129   19.734   67.308   23.422 -23.17944 30.62712 
1 1 1  -23   28   12 o   45.697   14.427  -1.5273   7.2453  -0.8968   9.8146  -2.2826   10.741   45.434   20.136   45.960   20.667 -0.5261879 28.85455 
1 1 1  -23   28   13 o  120.212   12.505   42.684   8.1076   46.003   11.583   39.497   11.352  125.107   17.134  115.317   18.218 9.789490 25.00919 
1 1 1  -23   28   14 o   41.201   13.343  -7.1096   6.8867 -14.1196   9.2669   1.5368   10.292   33.307   16.197   49.095   21.209 -15.78820 26.68631 
1 1 1  -23   28   15 o   83.534   16.685   22.779   7.8897   24.612   10.993   20.831   11.330   87.216   22.997   79.852   24.180 7.364052 33.36923 
1 1 1  -23   28   16 o   37.083   12.538 -12.8251   7.2200  -5.8673   10.218 -19.7624   10.203   41.581   19.243   32.584   16.077 8.996243 25.07508 
1 1 1  -23   28   17 o  107.785   14.194   35.999   7.9599   36.722   11.153   35.248   11.363  109.212   19.621  106.358   20.516 2.853508 28.38771 
1 1 1  -23   28   18 o  109.030   19.520   36.707   11.078   0.0000   0.0000   36.707   11.078  ?   ?   109.030   19.520      ?      ? 
1 1 1  -23   28   19 o   45.847   14.455  -2.4441   7.2890  -7.0337   9.6090   3.7759   11.186   38.916   18.226   52.778   22.441 -13.86196 28.90971 
1 1 1  -23   28   20 o   47.630   14.722   0.9350   7.1801   0.9864   9.9348   0.8788   10.389   47.262   20.624   47.997   21.013 -0.7349586 29.44336 
1 1 1  -23   28   21 o   60.362   16.173   8.9851   7.7549   1.4100   10.947   16.617   10.988   49.524   21.629   71.199   24.050 -21.67560 32.34542 
1 1 1  -23   28   22 o   54.402   15.669   5.7830   7.4095   9.9546   10.486   1.6231   10.471   59.921   23.027   48.882   21.255 11.03901 31.33707 
1 1 1  -23   28   23 o   51.907   15.745   1.8215   8.3944  -7.0689   12.529   9.0637   11.308   44.726   20.904   59.088   23.551 -14.36221 31.48973 
1 1 1  -23   28   24 o   58.111   18.783  -4.7242   9.8543   22.311   23.448 -10.5233   10.860   77.582   32.712   38.639   18.468 38.94227 37.56551 
1 1 1  -23   28   25 o   40.356   14.155 -22.2931   9.6531 -26.2890   11.521 -12.8784   17.684   32.055   16.024   48.657   23.338 -16.60259 28.30980 
1 1 1  -23   28   26 o  176.863   14.734   92.630   14.081   92.630   14.081   0.0000   0.0000  176.863   14.734  ?   ?       ?      ? 
1 1 1  -23   28   27 o   42.838   14.531 -12.7256   9.7025  -7.2703   12.212 -22.0653   15.978   43.514   20.433   42.162   20.666 1.352760 29.06182 
1 1 1  -23   28   28 o  146.896   15.645   72.319   11.458   84.910   15.231   55.901   17.393  167.870   16.791  125.923   26.404 41.94636 31.29077 
1 1 1  -23   28   29 o   59.409   17.159  -6.0157   10.432 -27.7928   13.462   26.712   16.503   35.500   17.678   83.317   29.415 -47.81790 34.31833 
1 1 1  -23   28   30 o   75.406   19.913   22.066   10.908   23.153   14.155   20.477   17.116   77.622   27.257   73.190   29.037 4.431541 39.82550 
1 1 1  -23   28   31 o   83.409   18.594   28.362   9.2762   32.545   14.321   25.338   12.176   87.513   27.310   79.305   25.240 8.208466 37.18713 
1 1 1  -23   28   32 o   71.894   17.698   20.924   8.5737   25.941   12.384   16.304   11.882   79.341   25.476   64.446   24.572 14.89543 35.39534 
1 1 1  -23   28   33 o   77.530   16.882   21.801   8.5325   34.801   12.574   10.704   11.617   96.865   24.116   58.194   23.633 38.67023 33.76498 
1 1 1  -23   28   34 o   58.934   19.214   7.2752   13.627   4.5878   25.062   8.4032   16.237   60.143   28.550   57.725   25.723 2.418266 38.42852 
1 1 1  -23   28   35 o   72.715   21.738   21.826   14.120   55.450   25.183   6.4077   17.052   90.682   35.452   54.748   25.164 35.93388 43.47536 
1 1 1  -23   29    1 o   98.742   14.476   31.865   7.5996   42.342   10.276   19.216   11.291  120.718   15.753   76.766   24.292 43.95123 28.95220 
1 1 1  -23   29    2 o  143.474   13.823   58.838   10.717   58.838   10.717   0.0000   0.0000  143.474   13.823  ?   ?       ?      ? 
1 1 1  -23   29    3 o   78.868   16.383   20.355   7.5109   22.726   10.061   17.369   11.289   84.244   21.898   73.492   24.373 10.75204 32.76515 
1 1 1  -23   29    4 o  164.917   14.404   78.109   12.836   0.0000   0.0000   78.109   12.836  ?   ?   164.917   14.404      ?      ? 
1 1 1  -23   29    5 o  180.720   9.2435   92.811   9.0206   88.352   12.656   97.416   12.860  176.155   13.296  185.286   12.845 -9.131058 18.48694 
1 1 1  -23   29    6 o  237.540   11.389  158.507   14.619  158.507   14.619   0.0000   0.0000  237.540   11.389  ?   ?       ?      ? 
1 1 1  -23   29    7 o   54.376   15.246   4.3542   7.4555   13.116   10.119  -6.0521   11.027   65.628   23.045   43.124   19.969 22.50328 30.49294 
1 1 1  -23   29    8 o   88.048   14.914   25.223   7.8244   37.867   10.770   11.088   11.387  113.003   17.637   63.093   24.055 49.90960 29.82844 
1 1 1  -23   29    9 o  147.130   10.762   64.186   8.2080   83.132   11.564   44.949   11.652  171.181   12.502  123.078   17.520 48.10228 21.52317 
1 1 1  -23   29   10 o  149.692   10.045   64.622   7.9749   64.995   10.376   64.083   12.466  151.151   12.704  148.233   15.563 2.917770 20.08939 
1 1 1  -23   29   11 o   50.551   14.757  -0.8093   7.3339 -11.6170   9.8305   12.756   11.013   36.092   17.335   65.009   23.887 -28.91698 29.51438 
1 1 1  -23   29   12 o   92.626   13.230   28.998   7.5153   51.107   10.288   3.7004   11.005  132.941   14.321   52.310   22.250 80.63124 26.46059 
1 1 1  -23   29   13 o   44.996   14.350  -3.8896   7.5889 -10.1796   10.477   3.0538   11.007   38.498   18.328   51.494   22.086 -12.99680 28.70022 
1 1 1  -23   29   14 o   76.128   17.082   19.469   7.9344   21.196   10.771   17.419   11.733   79.709   23.443   72.547   24.851 7.161285 34.16375 
1 1 1  -23   29   15 o   44.270   14.199  -3.4272   7.4054  -7.0597   10.184   0.6486   10.788   40.111   18.778   48.429   21.302 -8.317890 28.39732 
1 1 1  -23   29   16 o  110.531   13.735   37.527   7.9510   30.705   10.814   45.554   11.731   97.830   21.078  123.233   17.616 -25.40350 27.47029 
1 1 1  -23   29   17 o   87.156   15.745   25.194   7.5332   29.761   10.606   20.543   10.702   96.117   21.007   78.195   23.460 17.92213 31.49007 
1 1 1  -23   29   18 o   66.837   15.799   12.823   7.5758   2.4248   10.508   24.080   10.933   49.432   21.392   84.242   23.254 -34.80936 31.59704 
1 1 1  -23   29   19 o   76.309   15.700   19.421   7.6875   8.1901   10.931   30.412   10.814   56.742   22.966   95.875   21.414 -39.13251 31.40022 
1 1 1  -23   29   20 o   41.520   13.586 -12.2395   7.9083   4.8996   11.336 -28.4883   11.038   52.790   22.522   30.250   15.201 22.54065 27.17132 
1 1 1  -23   29   21 o   55.084   16.273   6.7165   8.0188   6.3104   10.576   7.2659   12.299   53.545   22.229   56.623   23.774 -3.078186 32.54688 
1 1 1  -23   29   22 o   65.784   17.519   13.104   9.3483   21.782   12.417   1.7498   14.203   77.893   25.548   53.674   23.978 24.21884 35.03773 
1 1 1  -23   29   23 o   55.191   17.142   3.5289   9.8810   6.1059   12.971  -0.0335   15.252   56.581   24.114   53.801   24.369 2.779709 34.28335 
1 1 1  -23   29   24 o  141.669   16.166   65.784   11.957   78.018   17.402   54.842   16.457  157.013   20.510  126.324   24.994 30.68819 32.33201 
1 1 1  -23   29   25 o   53.218   24.170  -0.5462   15.128   0.0000   0.0000  -0.5462   15.128  ?   ?    53.218   24.170      ?      ? 
1 1 1  -23   29   26 o   87.689   26.846   29.189   13.914   29.189   13.914   0.0000   0.0000   87.689   26.846  ?   ?       ?      ? 
1 1 1  -23   29   27 o   53.732   17.495   0.0159   11.343  -7.5315   14.371   12.486   18.473   44.973   21.426   62.490   27.663 -17.51720 34.98992 
1 1 1  -23   29   28 o   71.153   17.758   20.975   8.5271   19.831   12.283   22.039   11.848   69.157   25.254   73.149   24.972 -3.992355 35.51590 
1 1 1  -23   29   29 o   83.471   17.427   26.934   8.3980   28.181   12.172   25.801   11.602   85.113   24.890   81.828   24.398 3.284523 34.85366 
1 1 1  -23   29   30 o   50.593   15.595   3.7097   8.1950  -1.4206   11.583   8.8512   11.596   45.348   20.805   55.837   23.236 -10.48853 31.18907 
1 1 1  -23   29   31 o   52.740   17.632  -2.4875   10.605   16.876   22.353  -8.1122   12.047   64.927   29.447   40.554   19.402 24.37300 35.26373 
1 1 1  -23   29   32 o   55.450   18.143   4.5097   14.041 -21.5923   24.905   16.671   17.000   48.422   24.103   62.478   27.124 -14.05608 36.28553 
1 1 1  -23   30    1 o  115.429   16.327   39.546   10.184   39.546   10.184   0.0000   0.0000  115.429   16.327  ?   ?       ?      ? 
1 1 1  -23   30    2 o   84.060   15.984   24.160   7.6777   29.667   10.242   17.094   11.601   96.464   20.291   71.657   24.702 24.80647 31.96779 
1 1 1  -23   30    3 o   81.579   16.706   22.367   7.7587   21.371   10.452   23.590   11.580   79.968   22.973   83.191   24.263 -3.222717 33.41271 
1 1 1  -23   30    4 o  138.687   15.903   56.811   11.918   0.0000   0.0000   56.811   11.918  ?   ?   138.687   15.903      ?      ? 
1 1 1  -23   30    5 o   83.651   15.714   23.696   7.5913   31.096   10.381   15.193   11.129   98.909   20.109   68.393   24.154 30.51622 31.42898 
1 1 1  -23   30    6 o  128.038   12.232   49.775   8.3155   53.452   11.122   45.116   12.521  134.891   15.259  121.185   19.121 13.70631 24.46342 
1 1 1  -23   30    7 o   76.297   16.998   19.452   8.0309   13.929   11.073   25.579   11.664   66.112   24.003   86.482   24.074 -20.37002 33.99612 
1 1 1  -23   30    8 o   93.382   16.037   29.041   8.0124   26.535   11.014   31.859   11.678   88.876   22.817   97.889   22.542 -9.013336 32.07411 
1 1 1  -23   30    9 o   61.547   16.540   11.354   7.6134   10.159   10.799   12.534   10.735   59.742   23.255   63.352   23.527 -3.609787 33.08047 
1 1 1  -23   30   10 f   44.002   14.194  -5.9352   7.7787 -14.5715   10.620   4.0603   11.425   35.646   17.335   52.359   22.481 -16.71295 28.38804 
1 1 1  -23   30   11 o   86.744   16.161   25.751   7.7716   21.036   10.842   30.733   11.145   77.718   23.680   95.770   22.000 -18.05177 32.32204 
1 1 1  -23   30   12 f   89.032   16.306   27.276   7.9173   24.909   10.953   29.866   11.457   84.714   23.232   93.350   22.888 -8.636017 32.61261 
1 1 1  -23   30   13 o   72.196   17.526   18.418   8.2410   18.028   11.245   18.870   12.113   71.652   24.329   72.740   25.232 -1.088661 35.05124 
1 1 1  -23   30   14 o   44.416   14.314  -3.1482   7.7393   1.6817   10.757  -8.3309   11.143   48.373   21.275   40.460   19.157 7.912971 28.62881 
1 1 1  -23   30   15 o   56.955   16.349   6.3136   8.9758   15.496   11.189 -10.2635   15.034   67.634   24.183   46.275   22.009 21.35902 32.69881 
1 1 1  -23   30   16 o   56.021   17.012   5.2611   9.2549   2.3356   12.549   8.7500   13.704   52.020   22.925   60.022   25.142 -8.001732 34.02494 
1 1 1  -23   30   17 f  129.490   16.792   59.349   11.000   76.689   14.811   38.018   16.427  158.921   17.246  100.058   28.817 58.86399 33.58339 
1 1 1  -23   30   18 o   72.074   18.995   17.744   9.8614   15.514   13.175   20.586   14.870   68.505   25.934   75.643   27.762 -7.137070 37.99077 
1 1 1  -23   30   19 o  111.495   17.381   45.190   10.238   52.905   12.978   32.477   16.658  131.278   18.295   91.712   29.558 39.56635 34.76150 
1 1 1  -23   30   20 o   70.795   19.332   17.142   10.410   17.394   13.478   16.768   16.387   70.939   26.359   70.652   28.286 0.2872543 38.66398 
1 1 1  -23   30   21 o   65.670   17.605   11.574   10.090   25.721   13.677  -5.3221   14.947   82.479   26.801   48.861   22.835 33.61774 35.20969 
1 1 1  -23   30   22 o   59.724   16.916   10.798   8.5956   17.083   12.203   4.6083   12.109   67.577   25.087   51.870   22.698 15.70724 33.83132 
1 1 1  -23   30   23 o   60.462   17.029   13.245   8.4215   16.277   12.019   10.320   11.804   64.428   24.678   56.495   23.471 7.932896 34.05740 
1 1 1  -23   30   24 o   41.491   13.711  -6.5350   7.8418 -15.6937   10.737   3.9339   11.480   33.907   16.684   49.076   21.762 -15.16832 27.42139 
1 1 1  -23   30   25 o   52.044   15.462  -0.3174   8.7015   17.856   12.434 -17.7602   12.181   67.965   25.305   36.123   17.774 31.84160 30.92301 
1 1 1  -23   30   26 o   62.637   17.996   13.829   10.213  -5.6441   22.490   18.889   11.464   54.904   26.331   70.370   24.539 -15.46577 35.99268 
1 1 1  -23   30   27 o   52.046   15.861   4.1847   9.3625   13.642   11.014 -20.4505   17.776   61.031   23.560   43.061   21.242 17.97007 31.72217 
1 1 1  -23   30   28 o   89.118   18.642   36.680   9.9595   38.943   11.651   30.541   19.194  103.243   21.578   74.993   30.405 28.25008 37.28369 
1 1 1  -23   31    1 o   40.140   13.401  -8.0151   7.4446  -9.6347   9.7023  -5.6965   11.609   36.672   17.507   43.609   20.294 -6.937424 26.80228 
1 1 1  -23   31    2 o   33.870   11.835 -22.0372   7.4999 -31.9946   9.9442  -8.9013   11.422   26.836   13.597   40.905   19.376 -14.06959 23.67055 
1 1 1  -23   31    3 o  110.305   14.885   38.954   8.6240   21.373   11.526   61.315   12.999   78.143   24.519  142.468   16.885 -64.32497 29.77074 
1 1 1  -23   31    4 o   48.172   15.441  -1.6280   8.2566  -3.4187   10.238   1.7038   13.965   42.782   19.603   53.561   23.862 -10.77896 30.88167 
1 1 1  -23   31    5 o  137.558   19.947   59.527   14.827   0.0000   0.0000   59.527   14.827  ?   ?   137.558   19.947      ?      ? 
1 1 1  -23   31    6 o   54.828   16.303  -0.7311   8.4776 -10.6069   10.492   17.842   14.389   37.808   18.093   71.849   27.125 -34.04113 32.60572 
1 1 1  -23   31    7 o   67.369   18.390   14.630   9.3898   15.255   11.921   13.608   15.241   67.843   24.863   66.896   27.103 0.9471817 36.78003 
1 1 1  -23   31    8 o   67.579   17.798   14.873   9.1580   20.068   11.853   7.1802   14.425   75.775   24.967   59.384   25.372 16.39138 35.59558 
1 1 1  -23   31    9 o  126.059   16.114   53.329   10.492   63.176   14.406   42.207   15.311  143.144   18.624  108.975   26.301 34.16890 32.22750 
1 1 1  -23   31   10 o   73.164   19.089   18.109   9.9465   13.950   13.172   23.626   15.173   66.416   25.730   79.913   28.205 -13.49702 38.17770 
1 1 1  -23   31   11 o   67.610   17.214   12.160   9.5903   26.982   13.178  -4.5293   13.983   86.564   26.046   48.656   22.515 37.90802 34.42850 
1 1 1  -23   31   12 o   44.258   14.906 -10.3981   9.6221 -10.5991   12.482 -10.1036   15.106   41.823   19.937   46.693   22.165 -4.869972 29.81201 
1 1 1  -23   31   13 o   50.041   16.165  -2.7207   9.6327  -7.3108   12.627   3.6689   14.898   44.066   20.719   56.017   24.818 -11.95064 32.32963 
1 1 1  -23   31   14 o   65.586   17.696   8.8077   9.7824  -5.1982   12.727   29.032   15.293   45.400   21.168   85.771   28.364 -40.37104 35.39185 
1 1 1  -23   31   15 o   51.988   16.226   1.1031   9.6495   11.167   12.881 -11.7658   14.566   60.294   24.731   43.683   21.012 16.61028 32.45189 
1 1 1  -23   31   16 o   55.698   16.757   8.3548   8.9349   4.9392   12.953   11.455   12.341   52.401   23.182   58.994   24.203 -6.592468 33.51410 
1 1 1  -23   31   17 o   51.184   15.631   5.3878   8.0161   0.6057   10.974   10.859   11.738   45.325   20.585   57.043   23.527 -11.71806 31.26143 
1 1 1  -23   31   18 o   42.040   13.995  -4.4012   8.1464  -3.8023   10.853  -5.1739   12.329   41.368   19.373   42.712   20.201 -1.343697 27.98932 
1 1 1  -23   31   19 o   69.259   16.613   18.551   7.7710   22.988   10.329   12.766   11.796   78.302   22.938   60.216   24.037 18.08633 33.22526 
1 1 1  -23   31   20 o   99.816   15.638   35.866   8.4817   44.626   11.752   26.344   12.254  117.355   18.532   82.278   25.194 35.07713 31.27617 
1 1 1  -23   31   21 o   63.809   16.400   13.615   8.1784   22.995   11.259   3.1386   11.899   77.748   24.208   49.870   22.133 27.87775 32.80077 
1 1 1  -23   31   22 o   45.558   14.408   0.3834   7.5879   6.2006   10.218  -6.7683   11.330   50.696   21.497   40.420   19.189 10.27637 28.81598 
1 1 1  -23   31   23 o   50.769   15.388   2.2730   8.3108  -9.8825   11.369   16.223   12.179   38.009   18.353   63.528   24.705 -25.51902 30.77648 
1 1 1  -23   31   24 o   56.054   16.493   10.525   8.3745   6.0745   11.537   15.483   12.176   50.382   22.098   61.727   24.490 -11.34476 32.98626 
1 1 1  -23   32    1 o   66.655   18.012   16.673   8.9193   10.678   11.263   26.757   14.607   56.420   23.132   76.890   27.616 -20.47060 36.02388 
1 1 1  -23   32    2 o   54.903   16.068  -1.1754   8.8797 -17.7140   11.274   25.856   14.413   33.942   16.775   75.864   27.409 -41.92183 32.13503 
1 1 1  -23   32    3 o   53.219   16.163   7.1990   8.7037   12.124   11.341   0.1429   13.575   58.361   23.473   48.077   22.225 10.28325 32.32525 
1 1 1  -23   32    4 o   52.986   16.524   5.2944   8.9971   0.4378   11.409   13.282   14.631   45.631   20.827   60.340   25.660 -14.70866 33.04882 
1 1 1  -23   32    5 o   49.121   15.139   1.4086   8.4714   12.962   11.430 -12.6699   12.618   59.490   23.689   38.751   18.857 20.73874 30.27758 
1 1 1  -23   32    6 o   52.700   15.359   4.0683   8.2636   17.950   11.475 -10.8857   11.910   66.872   24.411   38.529   18.648 28.34318 30.71868 
1 1 1  -23   32    7 o   50.999   15.643   5.4718   8.0296   1.6389   10.924   9.9757   11.842   46.124   20.783   55.873   23.386 -9.749081 31.28580 
1 1 1  -23   32    8 o   52.546   15.946   6.8917   8.0985   4.5415   10.912   9.7733   12.083   49.154   21.528   55.939   23.529 -6.784088 31.89129 
1 1 1  -23   32    9 o   60.383   16.062   10.758   7.6813   1.9124   10.153   22.596   11.746   45.672   20.347   75.094   24.858 -29.42226 32.12399 
1 1 1  -23   32   10 o   51.499   15.000  -0.4520   7.9664 -15.9842   10.732   18.608   11.889   34.048   16.739   68.949   24.896 -34.90049 30.00026 
1 1 1  -23   32   11 o   47.431   15.024   1.5432   7.9770   3.4182   10.848  -0.6647   11.771   48.723   21.398   46.139   21.096 2.584133 30.04873 
1 1 1  -23   32   12 o   73.110   17.847   20.964   8.6446   22.826   11.571   18.612   13.004   77.088   24.613   69.132   25.851 7.955933 35.69419 
1 1 1  -23   32   13 o   49.242   15.342   1.2213   8.1141  -5.5775   10.804   10.016   12.288   40.757   19.164   57.727   23.962 -16.96916 30.68321 
1 1 1  -23   32   14 o   78.926   17.533   24.281   8.3832   25.930   11.368   22.316   12.412   82.835   24.006   75.017   25.560 7.818115 35.06579 
1 1 1  -23   32   15 o   40.920   13.714  -8.1565   8.0803 -14.7632   10.792   0.2709   12.189   34.717   17.010   47.122   21.515 -12.40467 27.42716 
1 1 1  -23   32   16 o   41.063   13.786  -6.2604   8.1545  -8.1760   10.802  -3.7227   12.433   38.235   18.313   43.890   20.612 -5.654804 27.57204 
1 1 1  -23   32   17 o   94.274   15.322   34.400   8.3296   47.869   11.508   19.576   12.072  120.331   17.698   68.217   25.018 52.11452 30.64463 
1 1 1  -23   32   18 o   62.951   16.260   12.851   8.2365   0.4833   11.088   28.081   12.304   44.609   20.425   81.294   25.305 -36.68526 32.51923 
1 1 1  -23   33    1 o   95.272   16.611   34.403   8.4305   28.501   10.931   43.067   13.244   85.371   23.124  105.173   23.853 -19.80215 33.22136 
1 1 1  -23   33    2 o   54.100   16.069   9.5002   7.9623   10.330   10.832   8.5246   11.743   54.975   22.629   53.226   22.820 1.749653 32.13781 
1 1 1  -23   33    3 o   51.772   15.790   7.0827   7.9577   4.6216   10.474   10.443   12.239   47.931   21.039   55.613   23.551 -7.681789 31.58018 
1 1 1  -23   33    4 f   52.093   15.605   4.8416   7.9761  -4.0618   10.452   17.255   12.342   40.015   18.826   64.171   24.893 -24.15575 31.21036 
1 1 1  -23   33    5 o   60.918   16.154   12.286   7.8405   2.7548   10.484   24.382   11.811   45.969   20.563   75.867   24.918 -29.89771 32.30727 
1 1 1  -23   33    6 o   60.432   15.190   12.567   7.7759   23.753   10.120  -3.5527   12.149   77.939   22.669   42.926   20.226 35.01254 30.38020 
1 1 1  -23   33    7 o   69.270   15.769   15.039   8.1606  -0.2651   10.691   36.409   12.632   43.380   19.934   95.160   24.439 -51.78027 31.53743 
1 1 1  -23   33    8 o   61.399   16.715   15.101   7.8713   16.369   10.510   13.480   11.878   63.760   23.349   59.039   23.925 4.720791 33.43006 
1 1 1  -22    0    1 o   82.738   6.3964   19.155   3.9214   19.155   3.9214   19.155   3.9214   82.738   9.0459   82.738   9.0459 0.000000 0.000000 
1 1 1  -22    0    2 o  918.614   11.115  2284.12   77.974  2284.12   77.974  2284.12   77.974  918.614   15.719  918.614   15.719 0.000000 0.000000 
1 1 1  -22    0    3 o  870.245   10.572  2049.75   70.263  2049.75   70.263  2049.75   70.263  870.245   14.951  870.245   14.951 0.000000 0.000000 
1 1 1  -22    0    4 o  474.917   8.8767  611.036   32.165  611.036   32.165  611.036   32.165  474.917   12.554  474.917   12.554 0.000000 0.000000 
1 1 1  -22    0    7 o  857.331   14.777  1992.79   96.685  1992.79   96.685  1992.79   96.685  857.331   20.898  857.331   20.898 0.000000 0.000000 
1 1 1  -22    0    8 o  615.134   7.7364  1023.80   36.342  1023.80   36.342  1023.80   36.342  615.134   10.941  615.134   10.941 0.000000 0.000000 
1 1 1  -22    0    9 o   97.984   6.2762   26.581   4.6108   26.581   4.6108   26.581   4.6108   97.984   8.8759   97.984   8.8759 0.000000 0.000000 
1 1 1  -22    0   10 o  336.378   5.0507  306.189   12.970  306.189   12.970  306.189   12.970  336.378   7.1428  336.378   7.1428 0.000000 0.000000 
1 1 1  -22    0   11 o  1325.85   15.840  4763.49  160.392  4763.49  160.392  4763.49  160.392  1325.85   22.402  1325.85   22.402 0.000000 0.000000 
1 1 1  -22    0   12 o  745.844   9.1958  1505.44   52.377  1505.44   52.377  1505.44   52.377  745.844   13.005  745.844   13.005 0.000000 0.000000 
1 1 1  -22    0   13 o  148.176   5.2671   59.784   5.9298   59.784   5.9298   59.784   5.9298  148.176   7.4488  148.176   7.4488 0.000000 0.000000 
1 1 1  -22    0   14 o  175.961   4.8920   84.059   6.5551   84.059   6.5551   84.059   6.5551  175.961   6.9184  175.961   6.9184 0.000000 0.000000 
1 1 1  -22    0   15 o  813.811   9.9734  1792.56   61.983  1792.56   61.983  1792.56   61.983  813.811   14.104  813.811   14.104 0.000000 0.000000 
1 1 1  -22    0   16 o  747.343   9.2387  1511.55   52.727  1511.55   52.727  1511.55   52.727  747.343   13.066  747.343   13.066 0.000000 0.000000 
1 1 1  -22    0   17 o  1111.92   13.376  3348.63  113.582  3348.63  113.582  3348.63  113.582  1111.92   18.916  1111.92   18.916 0.000000 0.000000 
1 1 1  -22    0   18 o  289.029   5.0730  226.175   11.189  226.175   11.189  226.175   11.189  289.029   7.1743  289.029   7.1743 0.000000 0.000000 
1 1 1  -22    0   19 o  1466.44   17.497  5832.09  195.948  5832.09  195.948  5832.09  195.948  1466.44   24.744  1466.44   24.744 0.000000 0.000000 
1 1 1  -22    0   20 f  259.938   5.2837  183.060   10.476  183.060   10.476  183.060   10.476  259.938   7.4722  259.938   7.4722 0.000000 0.000000 
1 1 1  -22    0   21 o  419.503   6.0148  476.251   19.265  476.251   19.265  476.251   19.265  419.503   8.5063  419.503   8.5063 0.000000 0.000000 
1 1 1  -22    0   22 o  241.210   5.3481  157.714   9.8363  157.714   9.8363  157.714   9.8363  241.210   7.5634  241.210   7.5634 0.000000 0.000000 
1 1 1  -22    0   23 o  537.170   7.1199  780.919   29.204  780.919   29.204  780.919   29.204  537.170   10.069  537.170   10.069 0.000000 0.000000 
1 1 1  -22    0   25 o  663.134   8.4578  1190.31   42.830  1190.31   42.830  1190.31   42.830  663.134   11.961  663.134   11.961 0.000000 0.000000 
1 1 1  -22    0   26 o  723.052   9.1063  1415.43   50.281  1415.43   50.281  1415.43   50.281  723.052   12.878  723.052   12.878 0.000000 0.000000 
1 1 1  -22    0   27 o  238.374   6.4922  154.295   11.787  154.295   11.787  154.295   11.787  238.374   9.1814  238.374   9.1814 0.000000 0.000000 
1 1 1  -22    0   29 o  624.542   8.2086  1056.06   39.147  1056.06   39.147  1056.06   39.147  624.542   11.609  624.542   11.609 0.000000 0.000000 
1 1 1  -22    0   30 o  263.525   6.3867  188.427   12.827  188.427   12.827  188.427   12.827  263.525   9.0321  263.525   9.0321 0.000000 0.000000 
1 1 1  -22    0   31 o  418.125   6.4236  473.379   20.503  473.379   20.503  473.379   20.503  418.125   9.0844  418.125   9.0844 0.000000 0.000000 
1 1 1  -22    0   32 o  289.233   5.9071  226.748   13.032  226.748   13.032  226.748   13.032  289.233   8.3539  289.233   8.3539 0.000000 0.000000 
1 1 1  -22    0   33 o  843.271   10.430  1928.24   67.165  1928.24   67.165  1928.24   67.165  843.271   14.750  843.271   14.750 0.000000 0.000000 
1 1 1  -22    0   34 o  249.270   6.1078  168.651   11.603  168.651   11.603  168.651   11.603  249.270   8.6378  249.270   8.6378 0.000000 0.000000 
1 1 1  -22    0   35 o  171.980   11.804   82.455   15.179   82.455   15.179   82.455   15.179  171.980   16.694  171.980   16.694 0.000000 0.000000 
1 1 1  -22    0   38 o  470.734   6.6451  600.542   23.883  600.542   23.883  600.542   23.883  470.734   9.3975  470.734   9.3975 0.000000 0.000000 
1 1 1  -22    0   39 o  289.558   5.6105  227.377   12.394  227.377   12.394  227.377   12.394  289.558   7.9345  289.558   7.9345 0.000000 0.000000 
1 1 1  -22    0   40 o  182.382   6.6483   90.802   9.2098   90.802   9.2098   90.802   9.2098  182.382   9.4021  182.382   9.4021 0.000000 0.000000 
1 1 1  -22    0   41 o  139.457   7.9980   53.783   8.3946   53.783   8.3946   53.783   8.3946  139.457   11.311  139.457   11.311 0.000000 0.000000 
1 1 1  -22    0   42 o   37.873   15.403   4.9876   7.1346   4.9876   7.1346   4.9876   7.1346   37.873   21.784   37.873   21.784 0.000000 0.000000 
1 1 1  -22    0   43 o  134.245   8.1681   49.998   8.2369   49.998   8.2369   49.998   8.2369  134.245   11.551  134.245   11.551 0.000000 0.000000 
1 1 1  -22    0   44 o  153.906   7.6283   65.254   8.8707   65.254   8.8707   65.254   8.8707  153.906   10.788  153.906   10.788 0.000000 0.000000 
1 1 1  -22    0   45 o  194.297   6.1130  102.963   9.0358  102.963   9.0358  102.963   9.0358  194.297   8.6452  194.297   8.6452 0.000000 0.000000 
1 1 1  -22    0   46 o  210.673   6.1223  120.982   9.8188  120.982   9.8188  120.982   9.8188  210.673   8.6582  210.673   8.6582 0.000000 0.000000 
1 1 1  -22    0   47 o  194.574   6.1766  103.363   9.1419  103.363   9.1419  103.363   9.1419  194.574   8.7350  194.574   8.7350 0.000000 0.000000 
1 1 1  -22    0   48 o   25.940   12.447  -3.6841   7.4117  -3.6841   7.4117  -3.6841   7.4117   25.940   17.603   25.940   17.603 0.000000 0.000000 
1 1 1  -22    0   49 o   36.099   15.087   4.2402   7.1565   4.2402   7.1565   4.2402   7.1565   36.099   21.336   36.099   21.336 0.000000 0.000000 
1 1 1  -22    0   50 o   38.612   15.734   5.4135   7.4658   5.4135   7.4658   5.4135   7.4658   38.612   22.251   38.612   22.251 0.000000 0.000000 
1 1 1  -22    0   51 o  106.989   9.5272   32.845   7.4539   32.845   7.4539   32.845   7.4539  106.989   13.474  106.989   13.474 0.000000 0.000000 
1 1 1  -22    0   52 o  272.075   5.7475  201.859   11.926  201.859   11.926  201.859   11.926  272.075   8.1282  272.075   8.1282 0.000000 0.000000 
1 1 1  -22    0   53 o   26.538   12.577  -2.2616   7.1274  -2.2616   7.1274  -2.2616   7.1274   26.538   17.786   26.538   17.786 0.000000 0.000000 
1 1 1  -22    0   54 o   83.631   14.052   22.471   7.7951   22.471   7.7951   22.471   7.7951   83.631   19.873   83.631   19.873 0.000000 0.000000 
1 1 1  -22    0   55 o   94.269   12.434   27.161   8.0433   27.161   8.0433   27.161   8.0433   94.269   17.584   94.269   17.584 0.000000 0.000000 
1 1 1  -22    0   56 o  144.778   8.3467   58.864   9.0934   58.864   9.0934   58.864   9.0934  144.778   11.804  144.778   11.804 0.000000 0.000000 
1 1 1  -22    0   57 o   35.447   15.251   3.8097   7.7392   3.8097   7.7392   3.8097   7.7392   35.447   21.568   35.447   21.568 0.000000 0.000000 
1 1 1  -22    0   58 o   39.681   16.335   6.1071   8.1752   6.1071   8.1752   6.1071   8.1752   39.681   23.101   39.681   23.101 0.000000 0.000000 
1 1 1  -22    0   59 f   35.745   15.461   3.9122   8.0503   3.9122   8.0503   3.9122   8.0503   35.745   21.865   35.745   21.865 0.000000 0.000000 
1 1 1  -22    0   60 o   39.608   16.721   6.0545   8.9501   6.0545   8.9501   6.0545   8.9501   39.608   23.647   39.608   23.647 0.000000 0.000000 
1 1 1  -22    0   61 o   22.306   11.216 -10.2133   8.2413 -10.2133   8.2413 -10.2133   8.2413   22.306   15.862   22.306   15.862 0.000000 0.000000 
1 1 1  -22    0   64 o   28.422   13.701  -3.2123   9.1934  -3.2123   9.1934  -3.2123   9.1934   28.422   19.377   28.422   19.377 0.000000 0.000000 
1 1 1  -22    1    1 f  240.516   4.3538  155.727   5.6468  166.422   8.3156  146.576   7.6924  248.149   6.2015  232.884   6.1127 15.26495 8.707686 
1 1 1  -22    1    2 o  1241.03   14.842  4175.35   99.529  4163.27  140.341  4187.58  141.173  1239.22   20.958  1242.83   21.021 -3.600708 29.68348 
1 1 1  -22    1    3 o  464.612   7.5269  582.974   17.810  581.453   21.791  586.036   30.908  463.768   8.6954  465.457   12.289 -1.688354 15.05386 
1 1 1  -22    1    4 o  746.195   12.965  1508.22   52.274  1498.87   73.481  1517.79   74.380  743.861   18.281  748.529   18.389 -4.668274 25.92969 
1 1 1  -22    1    7 o  498.917   9.1960  673.427   24.792  672.297   35.122  674.549   35.000  498.498   13.038  499.336   12.972 -0.8376770 18.39195 
1 1 1  -22    1    8 o   34.390   9.2895   0.4106   2.8376   4.9472   3.9248  -4.5580   4.1073   43.751   14.364   25.030   11.784 18.72060 18.57907 
1 1 1  -22    1    9 o  938.918   11.355  2386.35   57.604  2362.69   80.648  2410.98   82.304  934.179   15.976  943.658   16.141 -9.479065 22.71041 
1 1 1  -22    1   10 o   46.867   10.650   5.7099   3.0666   6.7097   4.4928   4.8379   4.1959   49.795   15.257   43.939   14.862 5.856827 21.29925 
1 1 1  -22    1   11 o  828.412   10.115  1856.04   45.254  1894.38   65.355  1820.73   62.723  836.609   14.457  820.216   14.152 16.39270 20.23033 
1 1 1  -22    1   12 o  489.499   6.4646  647.729   17.097  640.508   23.954  655.228   24.411  486.720   9.1076  492.278   9.1768 -5.558319 12.92915 
1 1 1  -22    1   13 o  520.140   6.7834  731.369   19.062  740.549   27.282  722.612   26.646  523.326   9.6475  516.954   9.5387 6.371887 13.56688 
1 1 1  -22    1   14 o  1171.85   14.063  3722.88   89.047  3703.48  125.231  3742.72  126.642  1168.77   19.829  1174.93   19.947 -6.151733 28.12588 
1 1 1  -22    1   15 o  377.470   5.5236  385.062   11.265  377.899   15.773  392.518   16.094  373.889   7.8072  381.052   7.8159 -7.162872 11.04718 
1 1 1  -22    1   16 o  582.392   7.4553  916.925   23.455  931.960   33.685  902.775   32.678  587.021   10.619  577.764   10.467 9.256592 14.91058 
1 1 1  -22    1   17 o  190.883   5.2026   98.210   5.3585   92.239   7.3587  104.950   7.8184  184.724   7.3720  197.041   7.3430 -12.31725 10.40511 
1 1 1  -22    1   18 o  687.494   8.5816  1278.54   31.876  1290.13   45.515  1267.38   44.657  690.547   12.198  684.441   12.074 6.106445 17.16318 
1 1 1  -22    1   19 f  647.678   8.1725  1134.62   28.598  1146.97   40.869  1122.77   40.031  651.127   11.616  644.230   11.499 6.897034 16.34492 
1 1 1  -22    1   20 o  558.109   7.2573  842.209   21.882  829.561   30.557  855.522   31.350  553.813   10.211  562.405   10.316 -8.592712 14.51464 
1 1 1  -22    1   21 o  595.961   7.6619  960.812   24.673  954.739   34.725  967.004   35.065  594.061   10.817  597.862   10.854 -3.801086 15.32381 
1 1 1  -22    1   22 o  501.263   6.7466  678.705   18.257  700.191   26.519  659.345   25.173  508.789   9.6457  493.738   9.4353 15.05121 13.49310 
1 1 1  -22    1   23 o  138.599   7.3951   52.325   5.5003   57.543   7.6307   46.681   7.9355  145.855   9.6818  131.344   11.181 14.51102 14.79022 
1 1 1  -22    1   24 o  403.983   6.0307  441.317   13.165  444.275   18.658  438.384   18.578  405.331   8.5185  402.634   8.5388 2.697052 12.06133 
1 1 1  -22    1   25 o  442.281   6.4181  528.788   15.334  519.462   21.355  538.715   22.031  438.260   9.0174  446.302   9.1353 -8.041840 12.83617 
1 1 1  -22    1   26 o  717.253   9.0582  1393.00   35.107  1396.26   49.784  1389.77   49.516  718.087   12.830  716.420   12.791 1.667114 18.11642 
1 1 1  -22    1   27 o  234.710   6.6488  149.013   8.4323  150.007   11.991  148.040   11.860  235.484   9.4232  233.936   9.3824 1.548065 13.29760 
1 1 1  -22    1   28 o  738.073   9.4048  1418.09   36.399  1255.74   45.325  1712.94   61.082  681.025   12.316  795.122   14.217 -114.0970 18.80968 
1 1 1  -22    1   29 o  559.258   7.5501  846.617   22.816  850.842   32.159  842.336   32.374  560.669   10.615  557.848   10.740 2.821655 15.10014 
1 1 1  -22    1   30 o  575.597   7.6686  896.276   23.839  919.692   34.418  874.684   33.050  582.808   10.929  568.386   10.761 14.42102 15.33729 
1 1 1  -22    1   31 o  393.247   6.2428  418.393   13.265  420.054   18.880  416.773   18.641  394.016   8.8677  392.479   8.7895 1.536652 12.48562 
1 1 1  -22    1   32 o  629.568   8.1736  1072.90   27.787  1049.86   38.443  1098.09   40.210  622.519   11.428  636.618   11.689 -14.09882 16.34713 
1 1 1  -22    1   33 o  214.495   6.4192  124.467   7.4357  118.543   10.371  130.731   10.666  209.244   9.1727  219.747   8.9825 -10.50287 12.83841 
1 1 1  -22    1   34 o  156.625   7.7474   66.631   6.5431   69.799   9.1164   63.265   9.3966  160.492   10.512  152.757   11.384 7.735428 15.49473 
1 1 1  -22    1   35 o  206.656   14.223  116.059   15.883   0.0000   0.0000  116.059   15.883  ?   ?   206.656   14.223      ?      ? 
1 1 1  -22    1   37 o  541.296   14.719  798.198   43.054   0.0000   0.0000  798.198   43.054  ?   ?   541.296   14.719      ?      ? 
1 1 1  -22    1   38 o  399.798   6.1075  433.188   13.194  439.216   18.770  427.301   18.550  402.548   8.6287  397.048   8.6458 5.500275 12.21492 
1 1 1  -22    1   39 o  408.289   6.1849  451.974   13.645  457.481   19.434  446.620   19.161  410.740   8.7561  405.838   8.7374 4.901886 12.36982 
1 1 1  -22    1   40 o  143.587   7.7253   55.716   5.9574   47.681   8.1091   65.137   8.7812  132.375   11.336  154.798   10.498 -22.42311 15.45052 
1 1 1  -22    1   41 o  140.621   7.6993   53.558   5.8337   59.397   8.5793   48.537   7.9562  147.728   10.747  133.515   11.028 14.21318 15.39856 
1 1 1  -22    1   42 o  260.934   5.6281  184.669   7.9343  189.256   11.317  180.236   11.127  264.123   7.9293  257.745   7.9892 6.378723 11.25620 
1 1 1  -22    1   43 o  130.643   8.1942   45.976   5.7115   57.578   8.5766   36.730   7.6561  145.336   10.921  115.950   12.219 29.38567 16.38833 
1 1 1  -22    1   44 o  193.810   6.1511  102.172   6.4409  103.073   9.0538  101.250   9.1649  194.688   8.6060  192.931   8.7910 1.756302 12.30228 
1 1 1  -22    1   45 o  314.678   5.6994  269.210   9.6912  267.912   13.716  270.504   13.695  313.914   8.0858  315.441   8.0345 -1.527283 11.39881 
1 1 1  -22    1   46 o   78.483   12.392   17.817   5.1475   21.428   7.3660   14.370   7.1964   86.548   16.349   70.418   18.626 16.12963 24.78340 
1 1 1  -22    1   47 o  130.576   7.9226   46.657   5.5824   50.188   8.0873   43.444   7.7154  135.309   11.061  125.843   11.346 9.465515 15.84527 
1 1 1  -22    1   48 o  211.683   5.8818  122.201   6.7260  122.123   9.3993  122.284   9.6289  211.636   8.2189  211.729   8.4160 -0.9304810E-01 11.76354 
1 1 1  -22    1   49 o   77.418   12.417   17.562   5.0811   16.011   7.2092   19.093   7.1624   73.818   18.191   81.018   16.907 -7.199013 24.83436 
1 1 1  -22    1   50 o  137.389   7.6577   51.872   5.6788   55.133   8.2427   48.926   7.8349  141.502   10.780  133.276   10.879 8.226181 15.31539 
1 1 1  -22    1   51 o  221.964   5.8741  134.592   7.0392  129.482   9.7079  140.258   10.222  217.546   8.2582  226.383   8.3559 -8.837418 11.74820 
1 1 1  -22    1   52 o  143.883   7.5777   57.162   5.8847   53.423   8.1839   61.165   8.4678  138.960   10.899  148.805   10.531 -9.844589 15.15539 
1 1 1  -22    1   53 o  206.061   6.2291  116.780   6.9225  118.022   9.5287  115.392   10.074  207.341   8.5048  204.781   9.1036 2.560120 12.45818 
1 1 1  -22    1   54 f   94.444   11.186   26.529   5.3509   36.484   7.6374   16.931   7.4992  114.140   12.383   74.747   18.632 39.39291 22.37177 
1 1 1  -22    1   55 o  107.863   10.438   33.807   5.6554   46.821   8.2719   22.385   7.7494  129.265   11.842   86.461   17.192 42.80369 20.87595 
1 1 1  -22    1   56 o   51.277   13.979   6.1771   5.4644   6.3231   7.3858   6.0006   8.1223   51.002   19.391   51.553   20.140 -0.5512543 27.95752 
1 1 1  -22    1   57 o   65.589   13.310   12.268   5.6139   3.6768   7.7662   21.669   8.1244   47.088   19.245   84.091   18.392 -37.00264 26.62033 
1 1 1  -22    1   58 o  236.536   6.2379  155.100   7.9722  152.033   11.210  158.240   11.340  234.144   8.8597  238.928   8.7835 -4.784210 12.47573 
1 1 1  -22    1   59 o   34.100   11.458  -8.4673   5.7706  -5.9520   8.1114 -11.0449   8.2111   35.959   16.810   32.242   15.575 3.716682 22.91691 
1 1 1  -22    1   60 o   84.048   14.015   23.039   6.2775   20.254   8.7057   26.056   9.0604   78.200   20.391   89.896   19.233 -11.69579 28.03060 
1 1 1  -22    1   61 o  250.712   6.5461  176.160   8.8514  169.282   12.742  182.573   12.305  245.652   9.5992  255.773   8.9030 -10.12106 13.09227 
1 1 1  -22    1   64 o   62.319   15.120   4.6731   7.4950   31.509   12.744  -9.5188   9.2673   89.945   25.208   34.693   16.706 55.25225 30.24100 
1 1 1  -22    2    1 o  264.762   4.4723  189.469   6.3979  187.889   9.0825  191.026   9.0139  263.665   6.3748  265.859   6.2744 -2.193604 8.944606 
1 1 1  -22    2    2 o  544.385   8.5336  796.485   23.522  787.132   28.557  816.216   41.480  539.552   9.7948  549.218   13.977 -9.665710 17.06712 
1 1 1  -22    2    3 o  218.236   5.9204  128.098   6.9634  140.811   10.257  117.230   9.4840  228.230   8.3168  208.243   8.4282 19.98697 11.84074 
1 1 1  -22    2    4 o  207.420   6.0023  116.293   6.7261  116.869   9.6238  115.743   9.4043  207.921   8.5656  206.919   8.4108 1.002029 12.00467 
1 1 1  -22    2    5 o   70.905   15.395   14.137   5.7294   0.0000   0.0000   14.137   5.7294  ?   ?    70.905   15.395      ?      ? 
1 1 1  -22    2    6 o  265.959   6.4450  189.884   9.2232  205.946   13.846  177.072   12.366  275.995   9.2839  255.923   8.9422 20.07146 12.89007 
1 1 1  -22    2    7 o  895.432   15.390  2174.40   74.463  2167.34  105.044  2181.53  105.572  893.974   21.745  896.889   21.783 -2.915527 30.77905 
1 1 1  -22    2    8 o  493.429   7.8895  662.528   20.035  672.044   24.897  645.045   33.747  498.564   9.2414  488.294   12.790 10.27014 15.77908 
1 1 1  -22    2    9 o  1308.72   15.646  4645.81  110.638  4618.36  155.541  4673.92  157.407  1304.82   22.060  1312.62   22.192 -7.794312 31.29104 
1 1 1  -22    2   10 o  295.716   4.8229  236.350   7.7063  237.425   10.966  235.301   10.832  296.380   6.8469  295.052   6.7942 1.327942 9.645772 
1 1 1  -22    2   11 f  438.606   5.9628  520.039   14.131  523.400   20.127  516.772   19.845  440.002   8.4653  437.210   8.3999 2.792572 11.92560 
1 1 1  -22    2   12 o  461.470   6.2050  574.580   15.449  596.113   22.617  555.742   21.154  469.554   8.9136  453.385   8.6345 16.16901 12.40996 
1 1 1  -22    2   13 f  1041.79   12.560  2938.88   70.675  2990.51  101.757  2890.75   98.236  1050.60   17.924  1032.98   17.599 17.62073 25.11979 
1 1 1  -22    2   14 o  1032.50   12.461  2887.97   69.521  2905.02   98.945  2871.35   97.703  1035.50   17.683  1029.50   17.563 6.000977 24.92252 
1 1 1  -22    2   15 o  1095.83   13.191  3254.23   78.107  3271.23  111.117  3237.61  109.814  1098.65   18.717  1093.01   18.593 5.638306 26.38217 
1 1 1  -22    2   16 o   57.948   11.719   9.1930   3.9305   11.800   5.6133   6.6853   5.5054   64.745   16.110   51.151   17.023 13.59371 23.43721 
1 1 1  -22    2   17 o  641.273   8.0808  1112.08   27.995  1125.54   40.115  1099.29   39.088  645.050   11.509  637.496   11.347 7.554504 16.16169 
1 1 1  -22    2   18 o  403.443   5.7783  439.211   12.581  455.972   18.366  424.390   17.270  410.679   8.2760  396.208   8.0662 14.47147 11.55663 
1 1 1  -22    2   19 o   90.988   8.6400   22.393   4.2473   22.822   6.0765   21.983   5.9390   91.840   12.244   90.137   12.193 1.703140 17.28005 
1 1 1  -22    2   20 o  400.752   5.8046  434.157   12.569  439.830   17.916  428.658   17.638  403.329   8.2204  398.175   8.1975 5.154388 11.60923 
1 1 1  -22    2   21 o  309.077   5.2958  257.849   8.8374  247.322   12.206  269.446   12.812  302.458   7.4682  315.695   7.5104 -13.23737 10.59155 
1 1 1  -22    2   22 o  499.430   6.6998  674.632   18.081  677.654   25.662  671.652   25.479  500.540   9.4879  498.320   9.4620 2.220215 13.39958 
1 1 1  -22    2   23 o  527.417   7.0144  752.323   19.989  743.305   28.019  761.670   28.525  524.201   9.8915  530.633   9.9483 -6.432434 14.02888 
1 1 1  -22    2   24 o  277.095   5.6046  207.420   8.3881  215.469   12.065  199.889   11.670  282.295   7.9092  271.896   7.9430 10.39868 11.20921 
1 1 1  -22    2   25 o  211.998   6.0718  121.403   6.9511  115.701   9.6608  127.523   10.009  206.842   8.6434  217.154   8.5299 -10.31264 12.14365 
1 1 1  -22    2   26 o  663.400   8.5026  1191.35   30.479  1184.73   42.907  1198.09   43.304  661.542   12.003  665.259   12.046 -3.716797 17.00526 
1 1 1  -22    2   27 o  468.327   6.7595  593.265   17.105  602.976   24.330  583.775   24.053  472.118   9.5367  464.537   9.5820 7.580414 13.51899 
1 1 1  -22    2   28 o  618.884   8.1377  1034.45   27.163  1001.33   37.070  1072.85   39.915  608.234   11.279  629.534   11.734 -21.30084 16.27544 
1 1 1  -22    2   29 o  460.104   6.7172  572.838   16.700  575.097   23.518  570.541   23.717  461.023   9.4405  459.185   9.5583 1.838196 13.43445 
1 1 1  -22    2   30 o  233.469   6.5398  147.729   8.2375  154.807   11.537  140.367   11.766  239.195   8.9257  227.742   9.5606 11.45296 13.07952 
1 1 1  -22    2   31 o  162.392   8.2676   72.240   7.1706   81.734   9.9117   61.815   10.387  173.751   10.557  151.033   12.727 22.71840 16.53519 
1 1 1  -22    2   32 o   91.597   13.501   23.761   6.4548   24.907   8.8631   22.467   9.4192   94.127   18.083   89.066   20.054 5.061081 27.00253 
1 1 1  -22    2   33 o   59.567   14.690   8.1792   6.0678   3.4148   8.8367   12.430   8.3466   51.627   20.735   67.507   20.814 -15.88050 29.37973 
1 1 1  -22    2   34 o  428.866   6.3498  498.023   14.715  497.738   20.873  498.305   20.747  428.741   9.0097  428.991   8.9501 -0.2503052 12.69953 
1 1 1  -22    2   37 o   41.309   13.655 -13.1549   7.8739  -4.2950   11.008 -22.4369   11.267   47.370   21.139   35.248   17.293 12.12183 27.31098 
1 1 1  -22    2   38 f  420.899   6.2559  480.267   14.228  479.689   20.008  480.858   20.236  420.650   8.8022  421.147   8.8921 -0.4975281 12.51187 
1 1 1  -22    2   39 f  387.066   6.0298  405.948   12.607  415.944   18.136  396.602   17.537  391.667   8.5690  382.465   8.4856 9.201843 12.05956 
1 1 1  -22    2   40 o  256.073   5.7140  177.617   7.8957  174.115   10.840  181.575   11.524  253.407   7.9162  258.740   8.2423 -5.332520 11.42810 
1 1 1  -22    2   41 o  155.128   7.3993   65.631   6.1705   73.814   8.7759   57.628   8.6778  164.776   9.8562  145.479   11.039 19.29698 14.79864 
1 1 1  -22    2   42 o  299.196   5.6221  242.846   9.0861  233.968   12.774  251.939   12.927  293.645   8.0503  304.746   7.8500 -11.10080 11.24410 
1 1 1  -22    2   43 o   36.889   11.738  -6.1919   5.2003   1.1841   7.6304 -12.5895   7.1063   44.815   18.766   28.963   14.107 15.85156 23.47658 
1 1 1  -22    2   44 o  232.475   5.7548  146.733   7.2252  142.534   10.014  151.294   10.436  229.017   8.0915  235.934   8.1854 -6.916855 11.50969 
1 1 1  -22    2   45 o  147.958   7.2623   59.833   5.7920   54.931   8.1784   64.767   8.2041  141.809   10.673  154.107   9.8519 -12.29834 14.52469 
1 1 1  -22    2   46 o   85.153   11.876   20.861   5.3252   27.726   7.5897   14.205   7.4737  100.277   14.007   70.030   19.184 30.24725 23.75295 
1 1 1  -22    2   47 o  159.502   6.9149   69.507   5.9550   68.804   8.2396   70.275   8.6165  158.690   9.6087  160.313   9.9466 -1.623535 13.82976 
1 1 1  -22    2   48 o  127.250   8.4591   45.047   5.6495   32.361   7.8422   58.733   8.1457  108.119   13.423  146.382   10.298 -38.26308 16.91816 
1 1 1  -22    2   49 o   57.144   13.617   8.4836   5.2273   4.1308   7.5287   12.535   7.2635   48.676   19.275   65.612   19.239 -16.93618 27.23314 
1 1 1  -22    2   50 o  112.020   9.2145   34.995   5.5112   41.774   7.8967   28.558   7.6952  122.897   11.891  101.144   14.080 21.75368 18.42909 
1 1 1  -22    2   51 o   77.640   12.956   17.953   5.3391   18.349   7.2913   17.495   7.8399   78.780   17.574   76.500   19.041 2.280205 25.91143 
1 1 1  -22    2   52 o   99.015   10.153   27.701   5.3966   31.326   7.6498   24.109   7.6141  105.750   13.387   92.280   15.269 13.47052 20.30682 
1 1 1  -22    2   53 o  127.757   8.5857   46.108   5.8457   40.512   8.6356   50.842   7.9420  120.105   13.306  135.410   10.854 -15.30573 17.17142 
1 1 1  -22    2   54 f  155.694   7.4298   67.156   6.2428   68.792   9.1025   65.702   8.5781  157.407   10.702  153.981   10.310 3.426682 14.85969 
1 1 1  -22    2   55 o   84.388   12.508   21.306   5.6314   25.741   8.0101   16.971   7.9186   94.557   15.677   74.219   19.493 20.33871 25.01507 
1 1 1  -22    2   56 o   38.520   12.096  -3.2619   5.3432  -9.4475   7.6334   2.6805   7.4818   32.049   15.362   44.990   18.688 -12.94056 24.19191 
1 1 1  -22    2   57 o  157.886   7.5268   69.670   6.4166   71.786   9.0036   67.486   9.1470  160.448   10.385  155.323   10.898 5.124664 15.05368 
1 1 1  -22    2   58 o   58.336   13.898   8.4378   5.9506   17.589   8.5339  -0.2228   8.3019   74.165   20.573   42.508   18.693 31.65649 27.79690 
1 1 1  -22    2   59 o   44.092   13.149   0.2111   5.7764  -6.4839   8.1399   7.0028   8.1985   35.547   16.689   52.637   20.325 -17.08992 26.29867 
1 1 1  -22    2   60 o  194.138   6.9733  106.349   7.3075  101.124   10.351  111.541   10.318  189.159   10.127  199.117   9.5891 -9.958160 13.94653 
1 1 1  -22    2   61 o   28.817   14.354 -20.0540   8.9001   0.0000   0.0000 -20.0540   8.9001  ?   ?    28.817   14.354      ?      ? 
1 1 1  -22    2   64 o   52.932   15.091   3.0964   7.1487   19.014   11.751  -6.2548   9.0071   69.506   24.791   36.358   17.217 33.14786 30.18289 
1 1 1  -22    3    1 o  580.834   14.667  913.063   46.036  913.063   46.036   0.0000   0.0000  580.834   14.667  ?   ?       ?      ? 
1 1 1  -22    3    2 o  430.100   8.1698  500.263   18.986  504.955   27.071  495.721   26.634  432.083   11.595  428.117   11.513 3.965881 16.33954 
1 1 1  -22    3    3 o  220.256   6.0248  131.122   7.1700  128.694   10.063  133.626   10.218  218.185   8.5356  222.327   8.5053 -4.142334 12.04970 
1 1 1  -22    3    4 o  308.209   5.8727  253.671   9.1081  265.315   16.332  248.415   10.973  313.251   9.6483  303.168   6.6982 10.08350 11.74543 
1 1 1  -22    3    5 o  921.965   11.190  2295.26   55.624  2385.71   82.003  2218.18   75.702  938.705   16.166  905.226   15.476 33.47949 22.37997 
1 1 1  -22    3    6 o  557.840   10.106  841.456   30.439  859.009   44.075  825.450   42.089  563.385   14.478  552.295   14.103 11.09082 20.21140 
1 1 1  -22    3    7 o  556.453   10.083  837.297   30.297  854.955   43.852  821.171   41.908  562.050   14.439  550.856   14.079 11.19385 20.16659 
1 1 1  -22    3    8 o  331.712   6.1239  299.201   10.470  303.337   13.030  291.667   17.586  334.997   7.1983  328.427   9.9091 6.570251 12.24770 
1 1 1  -22    3    9 o  241.976   4.5669  158.096   5.9670  162.161   8.6438  154.396   8.2473  244.943   6.5306  239.009   6.3857 5.934372 9.133771 
1 1 1  -22    3   10 o  1312.29   15.693  4672.12  111.276  4642.51  156.407  4702.46  158.346  1308.10   22.127  1316.49   22.259 -8.386108 31.38587 
1 1 1  -22    3   11 o  575.549   7.3540  895.808   22.870  898.436   32.535  893.241   32.155  576.381   10.446  574.717   10.354 1.664246 14.70797 
1 1 1  -22    3   12 o  640.359   8.0610  1109.00   27.889  1118.04   39.855  1100.33   39.040  642.909   11.472  637.808   11.327 5.100952 16.12207 
1 1 1  -22    3   13 f  695.150   8.6522  1307.21   32.498  1315.69   46.323  1298.99   45.603  697.366   12.293  692.934   12.179 4.431946 17.30436 
1 1 1  -22    3   14 o  469.525   6.3085  596.009   16.005  591.761   22.519  600.345   22.752  467.835   8.9077  471.215   8.9354 -3.379639 12.61700 
1 1 1  -22    3   15 f  372.660   5.4875  375.305   11.047  380.094   15.841  370.770   15.415  374.972   7.8179  370.347   7.7027 4.625092 10.97504 
1 1 1  -22    3   16 o  570.409   7.3426  879.781   22.630  870.190   31.719  889.722   32.295  567.245   10.348  573.572   10.420 -6.326843 14.68526 
1 1 1  -22    3   17 o  315.119   5.1894  268.424   8.8365  268.125   12.505  268.721   12.488  314.944   7.3480  315.294   7.3298 -0.3501282 10.37881 
1 1 1  -22    3   18 o  231.766   4.9188  145.190   6.1601  146.465   8.7466  143.935   8.6772  232.776   6.9537  230.757   6.9589 2.018890 9.837667 
1 1 1  -22    3   19 o  114.132   7.4645   35.281   4.5890   35.862   6.2748   34.612   6.7286  115.150   10.084  113.114   11.008 2.036079 14.92906 
1 1 1  -22    3   20 o  474.222   6.4582  608.141   16.549  604.873   23.334  611.449   23.474  472.940   9.1307  475.503   9.1358 -2.563599 12.91634 
1 1 1  -22    3   21 o  708.620   8.8633  1359.17   33.938  1352.75   47.823  1365.68   48.171  706.936   12.519  710.303   12.550 -3.367554 17.72664 
1 1 1  -22    3   22 o  420.852   6.0602  478.953   13.781  480.855   19.571  477.083   19.410  421.680   8.5889  420.024   8.5520 1.655426 12.12045 
1 1 1  -22    3   23 o  635.375   11.498  1092.45   39.478  1092.45   39.478   0.0000   0.0000  635.375   11.498  ?   ?       ?      ? 
1 1 1  -22    3   24 o  471.244   6.6056  599.967   16.807  584.946   23.214  616.514   24.366  465.058   9.2376  477.431   9.4446 -12.37302 13.21114 
1 1 1  -22    3   25 o  399.589   6.1104  431.453   13.185  422.188   18.254  441.563   19.067  395.111   8.5495  404.067   8.7324 -8.956573 12.22084 
1 1 1  -22    3   26 o  674.233   8.5906  1230.71   31.298  1231.43   44.250  1230.00   44.275  674.429   12.142  674.038   12.156 0.3910522 17.18118 
1 1 1  -22    3   27 o  107.206   12.640   31.847   7.0703   32.914   9.4214   30.472   10.698  110.184   15.824  104.228   19.716 5.955208 25.28062 
1 1 1  -22    3   28 o  482.309   6.8848  629.310   17.942  637.972   25.518  620.839   25.233  485.592   9.7250  479.026   9.7483 6.566071 13.76966 
1 1 1  -22    3   29 o  383.977   6.2503  399.007   12.965  406.701   18.244  391.158   18.428  387.725   8.7078  380.229   8.9688 7.496155 12.50061 
1 1 1  -22    3   30 o  503.988   6.9990  687.189   19.052  678.252   26.465  696.801   27.448  500.599   9.7835  507.377   10.011 -6.778259 13.99793 
1 1 1  -22    3   31 o  310.042   6.0009  260.274   10.036  263.853   13.848  256.313   14.566  312.302   8.2058  307.781   8.7581 4.521881 12.00170 
1 1 1  -22    3   32 o   76.215   13.011   15.643   6.0776   27.333   8.6250   4.1153   8.5653  100.290   15.915   52.139   20.586 48.15043 26.02114 
1 1 1  -22    3   33 o  375.518   6.0166  381.737   12.208  384.129   17.204  379.310   17.327  376.708   8.4513  374.328   8.5659 2.379883 12.03329 
1 1 1  -22    3   34 o  113.578   12.159   33.118   7.0548   25.904   8.7183   46.802   12.008   96.061   17.438  131.096   16.950 -35.03514 24.31858 
1 1 1  -22    3   37 o  455.507   8.0776  567.557   18.924  577.000   23.521  550.225   31.866  461.297   9.4362  449.718   13.113 11.57904 16.15513 
1 1 1  -22    3   38 o  287.419   5.6854  223.721   8.8256  227.391   12.724  220.317   12.252  289.681   8.1283  285.157   7.9515 4.523865 11.37078 
1 1 1  -22    3   39 o   60.917   13.802   9.5779   5.3689   14.013   7.6164   5.1975   7.5693   70.279   19.413   51.556   19.623 18.72263 27.60339 
1 1 1  -22    3   40 o  132.637   7.9103   47.872   5.6650   50.533   8.0866   45.308   7.9386  136.273   10.982  129.002   11.388 7.271301 15.82057 
1 1 1  -22    3   41 o  315.251   5.7088  269.629   9.7239  270.203   13.866  269.074   13.641  315.572   8.1312  314.930   8.0155 0.6412659 11.41770 
1 1 1  -22    3   42 o  159.212   7.0034   68.975   6.0149   74.167   8.5577   63.906   8.4558  165.170   9.5883  153.255   10.211 11.91444 14.00678 
1 1 1  -22    3   43 o  316.220   5.7846  271.469   9.8816  276.927   14.185  266.323   13.774  319.298   8.2213  313.142   8.1399 6.156830 11.56924 
1 1 1  -22    3   44 o  127.712   8.3082   44.668   5.7259   45.737   7.9566   43.520   8.2464  129.347   11.384  126.076   12.104 3.270775 16.61642 
1 1 1  -22    3   45 o   91.706   11.105   23.687   5.3598   26.011   7.5580   21.336   7.6019   97.137   14.399   86.274   16.911 10.86286 22.21054 
1 1 1  -22    3   46 o   46.241   12.191   0.5208   5.0929   10.463   7.0650 -10.2345   7.3481   61.154   19.198   31.328   15.031 29.82679 24.38229 
1 1 1  -22    3   47 o  209.329   6.1059  119.057   6.8903  108.484   9.4521  131.045   10.065  199.417   8.7716  219.240   8.4962 -19.82210 12.21174 
1 1 1  -22    3   48 o  206.929   6.0056  116.845   6.7153  116.634   9.4863  117.058   9.5076  206.742   8.4914  207.116   8.4951 -0.3744049 12.01128 
1 1 1  -22    3   49 o  132.997   8.1595   48.429   5.8410   54.770   8.6269   43.062   7.9370  141.032   11.320  124.961   11.754 16.07124 16.31894 
1 1 1  -22    3   50 o  247.146   5.7889  166.887   7.7287  161.327   10.834  172.647   11.029  242.934   8.2532  251.359   8.1196 -8.425812 11.57771 
1 1 1  -22    3   51 o  137.631   7.6980   52.369   5.7185   50.765   8.1997   53.888   7.9790  135.489   11.200  139.772   10.564 -4.282928 15.39602 
1 1 1  -22    3   52 o   77.838   12.505   18.044   5.1381   18.543   7.3903   17.577   7.1484   78.868   17.767   76.807   17.600 2.060814 25.00904 
1 1 1  -22    3   53 o   52.497   12.719   5.0362   5.2455  -4.3012   7.4618   14.158   7.3754   36.485   16.724   68.509   19.169 -32.02401 25.43890 
1 1 1  -22    3   54 o   43.047   12.841   0.9181   5.2756   4.2966   7.2739  -2.8314   7.6629   47.577   18.912   38.518   17.376 9.059307 25.68234 
1 1 1  -22    3   55 o  125.944   8.8063   44.406   5.9443   37.169   8.1131   52.793   8.7341  114.657   13.095  137.230   11.778 -22.57254 17.61251 
1 1 1  -22    3   56 o  140.343   8.0617   55.040   6.0892   62.343   8.8965   48.604   8.3520  149.231   11.033  131.454   11.758 17.77652 16.12333 
1 1 1  -22    3   57 o  123.773   9.2122   43.487   6.1242   49.782   8.8110   37.605   8.5182  132.771   12.281  114.775   13.734 17.99648 18.42434 
1 1 1  -22    3   58 o  145.566   8.3199   60.057   6.5291   64.726   9.2509   55.422   9.2164  151.467   11.303  139.665   12.212 11.80177 16.63973 
1 1 1  -22    3   59 o   37.476   12.317  -5.4890   6.0197  -7.1609   8.3199  -3.6522   8.7207   35.397   16.697   39.556   18.112 -4.159199 24.63402 
1 1 1  -22    3   60 o   53.586   14.417   7.3363   5.9965   12.339   8.7302   2.8677   8.2507   61.688   21.420   45.483   19.303 16.20488 28.83468 
1 1 1  -22    3   61 o   70.766   15.686   8.8772   7.7348   35.608   13.677  -3.6914   9.3786  100.782   25.185   40.750   18.705 60.03185 31.37155 
1 1 1  -22    3   64 o   66.101   16.370   12.817   7.5105   30.023   12.941   4.0780   9.2227   85.524   25.828   46.679   20.121 38.84515 32.74095 
1 1 1  -22    4    1 o  882.953   15.188  2099.07   72.049  1980.86   95.903  2252.25  109.165  854.729   20.764  911.177   22.171 -56.44849 30.37627 
1 1 1  -22    4    2 f  290.202   9.3079  227.703   14.596  227.703   14.596   0.0000   0.0000  290.202   9.3079  ?   ?       ?      ? 
1 1 1  -22    4    3 o   79.347   8.0091   16.778   3.1773   25.892   4.9513   10.397   4.1427   97.858   9.3635   60.836   12.997 37.02153 16.01829 
1 1 1  -22    4    4 o  420.737   5.7735  477.828   13.109  491.800   19.132  465.462   17.998  426.523   8.3008  414.952   8.0269 11.57043 11.54702 
1 1 1  -22    4    5 o  748.043   9.2328  1512.08   37.278  1551.80   54.286  1476.64   51.280  757.310   13.265  738.776   12.845 18.53418 18.46557 
1 1 1  -22    4    6 o  1207.50   20.551  3966.00  134.063  3914.41  187.233  4020.27  192.047  1199.50   28.886  1215.50   29.239 -16.00745 41.10170 
1 1 1  -22    4    7 o  579.528   10.495  908.879   32.857  917.568   47.149  900.676   45.813  582.210   14.987  576.846   14.697 5.363220 20.99074 
1 1 1  -22    4    8 o  683.819   10.400  1271.07   36.519  1283.14   45.216  1248.42   61.933  688.708   12.150  678.930   16.882 9.778259 20.79909 
1 1 1  -22    4    9 o  302.060   4.9000  246.670   7.9947  244.559   11.443  248.683   11.174  300.795   7.0401  303.324   6.8175 -2.529633 9.800051 
1 1 1  -22    4   10 o  647.885   8.1288  1135.38   28.458  1129.12   40.117  1141.71   40.376  646.089   11.491  649.681   11.501 -3.592224 16.25761 
1 1 1  -22    4   11 o  418.905   5.8265  474.404   13.189  470.588   18.638  478.231   18.665  417.217   8.2669  420.593   8.2128 -3.376129 11.65296 
1 1 1  -22    4   12 o  1274.17   15.259  4404.28  105.061  4391.56  148.185  4417.13  148.974  1272.32   21.554  1276.01   21.606 -3.686523 30.51821 
1 1 1  -22    4   13 o  380.829   7.7552  392.056   15.959   0.0000   0.0000  392.056   15.959  ?   ?   380.829   7.7552      ?      ? 
1 1 1  -22    4   14 o  726.626   9.0091  1428.53   35.373  1420.87   49.851  1436.29   50.202  724.666   12.730  728.586   12.751 -3.920227 18.01828 
1 1 1  -22    4   15 o  592.659   7.5701  949.923   24.242  954.016   34.507  945.934   34.064  593.917   10.752  591.401   10.659 2.515991 15.14027 
1 1 1  -22    4   16 o  411.999   5.8603  458.821   13.046  451.968   18.307  465.891   18.595  408.874   8.2859  415.124   8.2894 -6.249969 11.72054 
1 1 1  -22    4   17 o  814.103   10.002  1793.98   44.000  1801.30   62.566  1786.82   61.890  815.740   14.194  812.466   14.097 3.274292 20.00478 
1 1 1  -22    4   18 o  893.941   10.902  2164.23   52.664  2166.86   74.615  2161.61   74.341  894.481   15.437  893.401   15.399 1.079590 21.80448 
1 1 1  -22    4   19 o  399.749   5.8176  431.899   12.564  439.864   17.998  424.329   17.547  403.341   8.2578  396.156   8.1967 7.184296 11.63517 
1 1 1  -22    4   20 o  853.261   10.456  1971.47   48.201  1946.03   67.330  1998.22   69.036  847.628   14.700  858.894   14.875 -11.26599 20.91273 
1 1 1  -22    4   21 o  242.640   5.3726  159.161   7.0439  161.075   10.026  157.295   9.8988  244.081   7.6013  241.199   7.5948 2.881256 10.74527 
1 1 1  -22    4   23 o  499.190   6.8285  673.975   18.419  679.159   26.175  668.890   25.923  501.090   9.6670  497.289   9.6469 3.801727 13.65700 
1 1 1  -22    4   24 o  487.262   6.7507  640.592   17.746  614.967   24.269  670.036   26.015  476.824   9.4190  497.701   9.6731 -20.87695 13.50132 
1 1 1  -22    4   25 o  657.283   8.4199  1169.44   29.904  1166.05   42.071  1172.91   42.514  656.324   11.862  658.242   11.953 -1.917786 16.83985 
1 1 1  -22    4   26 o  705.301   8.9527  1345.66   34.092  1316.38   47.077  1377.95   49.437  697.262   12.495  713.340   12.825 -16.07819 17.90544 
1 1 1  -22    4   27 o  486.891   6.8965  640.753   18.129  628.032   25.021  654.811   26.302  481.818   9.6103  491.964   9.8939 -10.14597 13.79305 
1 1 1  -22    4   28 o  393.183   8.9162  418.211   18.944   0.0000   0.0000  418.211   18.944  ?   ?   393.183   8.9162      ?      ? 
1 1 1  -22    4   29 o  107.482   11.122   31.428   6.4256   32.184   8.7163   30.529   9.5100  108.927   14.808  106.036   16.597 2.891159 22.24315 
1 1 1  -22    4   30 o  312.169   5.9933  263.564   10.092  262.435   13.859  264.838   14.727  311.470   8.2341  312.869   8.7108 -1.399689 11.98659 
1 1 1  -22    4   31 o  465.127   6.7014  584.785   16.823  570.025   23.132  601.358   24.511  458.918   9.3281  471.336   9.6239 -12.41733 13.40272 
1 1 1  -22    4   32 o   84.333   13.050   20.870   6.0093   29.035   8.1334   11.055   8.9176  103.395   14.558   65.271   21.663 38.12412 26.09960 
1 1 1  -22    4   33 o  125.151   9.5405   42.646   6.4086   43.686   8.6401   41.375   9.5552  126.890   12.601  123.412   14.328 3.477905 19.08092 
1 1 1  -22    4   34 o   58.148   16.566   3.8026   8.1511  -0.3574   11.826   7.5676   11.250   53.585   22.935   62.710   23.911 -9.125458 33.13226 
1 1 1  -22    4   37 o   81.056   13.002   18.711   5.6237   13.750   7.8422   23.964   8.0689   69.867   19.843   92.246   16.807 -22.37885 26.00410 
1 1 1  -22    4   38 o  338.248   5.8480  309.178   10.666  296.724   14.522  323.768   15.717  330.892   8.1219  345.604   8.4162 -14.71170 11.69604 
1 1 1  -22    4   39 o   74.373   12.612   15.417   5.4565   7.1044   7.6895   23.849   7.7442   55.372   20.018   93.374   15.348 -38.00251 25.22468 
1 1 1  -22    4   40 o  204.296   6.0400  113.288   6.6660  116.570   9.4429  110.029   9.4114  207.257   8.4316  201.335   8.6506 5.921936 12.07993 
1 1 1  -22    4   41 o   88.640   11.951   22.261   5.5074   21.578   7.5498   23.039   8.0517   87.212   16.627   90.068   17.170 -2.856941 23.90161 
1 1 1  -22    4   42 o  160.864   7.1545   70.456   6.2061   69.883   9.0540   70.963   8.5236  160.208   10.458  161.520   9.7658 -1.312134 14.30903 
1 1 1  -22    4   43 o   69.873   13.103   14.235   5.3526   7.2594   7.8945   20.171   7.2821   55.689   20.260   84.057   16.621 -28.36854 26.20541 
1 1 1  -22    4   44 f  128.227   8.2337   44.845   5.6383   54.809   8.2519   36.120   7.7219  141.661   10.780  114.794   12.449 26.86637 16.46736 
1 1 1  -22    4   45 o  215.602   6.0035  126.495   6.9928  126.678   9.9960  126.319   9.7859  215.740   8.5745  215.464   8.4050 0.2754822 12.00691 
1 1 1  -22    4   46 o  196.723   6.2936  105.720   6.6744   99.072   9.5421  112.088   9.3392  190.582   9.2657  202.863   8.5196 -12.28151 12.58715 
1 1 1  -22    4   47 o  152.446   7.2412   63.675   5.9619   65.909   8.4181   61.427   8.4447  155.170   10.040  149.723   10.438 5.447235 14.48245 
1 1 1  -22    4   48 o  192.448   6.3283  100.550   6.5592  111.863   9.7110   91.059   8.8948  202.355   8.8810  182.541   9.0176 19.81438 12.65657 
1 1 1  -22    4   49 o   61.016   13.986   10.508   5.2724   9.9218   7.6847   11.029   7.2472   59.973   20.114   62.060   19.438 -2.087521 27.97134 
1 1 1  -22    4   50 o   58.752   14.194   9.4505   5.3965   10.011   8.0012   8.9827   7.3093   60.168   20.522   57.337   19.615 2.830608 28.38850 
1 1 1  -22    4   51 o  157.374   7.1395   68.338   6.0549   62.706   8.5701   73.951   8.5558  150.759   10.520  163.988   9.6552 -13.22913 14.27909 
1 1 1  -22    4   52 o  134.315   8.2163   50.400   5.9295   45.014   8.4672   55.584   8.3064  126.996   12.339  141.635   10.853 -14.63860 16.43258 
1 1 1  -22    4   53 o   88.167   12.221   23.360   5.6458   29.454   7.8385   16.789   8.1387  102.100   14.208   74.233   19.888 27.86636 24.44170 
1 1 1  -22    4   54 o  144.637   7.6882   58.222   6.0071   57.386   8.5561   59.034   8.4359  143.552   11.030  145.721   10.713 -2.169678 15.37644 
1 1 1  -22    4   55 o   72.407   13.668   16.001   5.7514   23.043   8.2381   9.3055   8.0332   87.186   18.079   57.627   20.503 29.55932 27.33564 
1 1 1  -22    4   56 o  152.527   7.7929   64.905   6.4111   69.342   9.4151   61.070   8.7543  157.344   11.074  147.710   10.968 9.634430 15.58577 
1 1 1  -22    4   57 o  152.911   7.9134   65.688   6.4815   76.838   9.3074   55.191   9.0314  165.923   10.381  139.899   11.947 26.02464 15.82686 
1 1 1  -22    4   58 o   54.236   14.456   7.8061   5.7765   9.0118   8.3959   6.7223   7.9599   56.526   20.843   51.945   20.036 4.581516 28.91137 
1 1 1  -22    4   59 f  243.668   6.3940  165.633   8.4144  161.726   11.995  169.418   11.807  240.686   9.2224  246.650   8.8588 -5.964233 12.78793 
1 1 1  -22    4   60 f  160.152   8.1605   73.428   7.0534   74.958   9.8093   71.790   10.150  162.143   11.196  158.161   11.876 3.981552 16.32105 
1 1 1  -22    4   61 o  166.815   11.329   83.098   10.184   89.977   14.448   76.306   14.356  174.343   15.336  159.287   16.679 15.05569 22.65784 
1 1 1  -22    4   63 o   46.072   21.365  -2.4302   12.692  -2.4302   12.692   0.0000   0.0000   46.072   21.365  ?   ?       ?      ? 
1 1 1  -22    4   64 o   41.292   13.311  -0.7343   6.5937  -2.6042   9.4431   1.0449   9.2110   39.743   18.430   42.841   19.211 -3.098038 26.62198 
1 1 1  -22    5    1 o  261.450   6.0734  184.885   7.6986  184.617   14.563  184.989   9.0696  261.282   10.314  261.618   6.4155 -0.3363953 12.14674 
1 1 1  -22    5    2 o  848.268   12.701  1947.66   54.859  1944.04   67.132  1954.95   95.179  847.470   14.659  849.065   20.745 -1.595642 25.40184 
1 1 1  -22    5    3 o  911.339   13.574  2250.64   63.045  2249.84   77.250  2252.25  109.097  911.570   15.683  911.107   22.159 0.4636230 27.14737 
1 1 1  -22    5    4 f  468.316   8.8025  592.959   22.276   0.0000   0.0000  592.959   22.276  ?   ?   468.316   8.8025      ?      ? 
1 1 1  -22    5    5 o  733.756   11.133  1461.35   41.650  1446.85   71.827  1468.70   51.122  730.744   18.190  736.768   12.841 -6.023315 22.26561 
1 1 1  -22    5    6 o  474.169   9.0633  608.372   23.219  605.631   33.071  611.036   32.608  473.109   12.936  475.228   12.698 -2.119171 18.12668 
1 1 1  -22    5    7 f  258.920   6.9250  181.600   9.6717  172.185   13.832  190.608   13.529  252.333   10.144  265.506   9.4296 -13.17271 13.85006 
1 1 1  -22    5    8 o  647.117   8.1348  1132.48   28.442  1117.58   39.832  1147.97   40.626  642.778   11.468  651.456   11.541 -8.678345 16.26955 
1 1 1  -22    5    9 o  944.987   11.466  2417.98   58.546  2396.97   82.140  2439.68   83.469  940.822   16.157  949.151   16.274 -8.329346 22.93247 
1 1 1  -22    5   10 o  1068.44   12.881  3093.20   74.366  3081.14  104.813  3105.42  105.531  1066.35   18.190  1070.53   18.243 -4.183838 25.76179 
1 1 1  -22    5   11 f  696.253   8.6823  1311.50   32.665  1311.71   46.326  1311.28   46.066  696.307   12.312  696.199   12.245 0.1085205 17.36469 
1 1 1  -22    5   12 o  720.708   8.9537  1404.03   34.847  1369.88   48.236  1441.32   50.397  711.559   12.545  729.858   12.779 -18.29926 17.90731 
1 1 1  -22    5   13 o  516.216   6.7987  720.502   18.964  712.111   26.673  729.079   26.967  513.177   9.6188  519.255   9.6110 -6.078430 13.59750 
1 1 1  -22    5   14 o  339.319   5.2928  310.784   9.6950  321.050   14.100  301.577   13.352  344.624   7.5714  334.013   7.3979 10.61118 10.58562 
1 1 1  -22    5   15 o  935.864   11.379  2371.30   57.530  2400.49   82.461  2343.61   80.300  941.459   16.209  930.270   15.974 11.18878 22.75773 
1 1 1  -22    5   16 o  931.408   11.329  2349.61   57.019  2350.14   80.733  2349.09   80.541  931.509   16.039  931.308   16.004 0.2016602 22.65800 
1 1 1  -22    5   17 o  552.465   7.2050  825.409   21.508  817.468   30.207  833.575   30.631  549.771   10.168  555.158   10.211 -5.387390 14.41001 
1 1 1  -22    5   18 o  341.266   5.4495  314.809   10.049  310.513   14.104  319.238   14.320  338.902   7.7014  343.630   7.7122 -4.727997 10.89908 
1 1 1  -22    5   19 o  302.243   5.2977  246.973   8.6522  246.857   12.265  247.089   12.207  302.171   7.5117  302.314   7.4724 -0.1430054 10.59539 
1 1 1  -22    5   20 o  382.252   5.7639  394.968   11.903  400.906   17.060  389.335   16.616  385.049   8.1992  379.455   8.1034 5.593933 11.52790 
1 1 1  -22    5   21 o   67.561   11.693   11.997   5.0231   22.159   7.0666   1.6192   7.1416   90.447   14.459   44.675   18.380 45.77225 23.38520 
1 1 1  -22    5   22 o  418.276   6.1653  470.725   13.894  504.804   20.637  442.470   18.791  432.047   8.8395  404.504   8.5969 27.54330 12.33062 
1 1 1  -22    5   23 o  348.905   5.7549  328.933   10.846  318.494   15.112  340.023   15.576  343.199   8.1486  354.610   8.1285 -11.41052 11.50972 
1 1 1  -22    5   24 o  453.344   6.4913  555.196   15.888  539.771   21.921  572.266   23.061  446.724   9.0811  459.963   9.2781 -13.23898 12.98269 
1 1 1  -22    5   25 f  546.554   7.3428  808.291   21.686  807.802   30.576  808.786   30.762  546.390   10.356  546.718   10.413 -0.3280640 14.68562 
1 1 1  -22    5   26 o  581.100   7.7749  913.862   24.414  915.385   34.511  912.337   34.541  581.586   10.981  580.614   11.009 0.9714966 15.54977 
1 1 1  -22    5   27 o  461.955   6.7945  576.583   16.948  598.306   24.551  556.804   23.426  470.253   9.6614  453.657   9.5561 16.59589 13.58904 
1 1 1  -22    5   28 o  505.406   7.0207  690.721   19.161  675.875   26.512  706.954   27.723  499.735   9.8180  511.076   10.038 -11.34106 14.04142 
1 1 1  -22    5   29 o  357.648   6.0353  345.948   11.656  343.369   16.156  348.747   16.832  356.266   8.3922  359.030   8.6759 -2.763458 12.07060 
1 1 1  -22    5   30 o  323.444   5.8507  283.066   10.224  288.862   14.440  277.239   14.478  326.769   8.1776  320.118   8.3695 6.651062 11.70131 
1 1 1  -22    5   31 o  164.581   7.4102   73.496   6.5724   79.724   9.2959   67.272   9.2937  171.581   10.026  157.580   10.914 14.00122 14.82048 
1 1 1  -22    5   32 o  223.770   6.2337  135.404   7.5319  128.359   10.470  142.961   10.843  217.739   8.8986  229.800   8.7322 -12.06044 12.46744 
1 1 1  -22    5   33 o  187.361   8.3296   93.747   7.9507   90.964   9.6718   99.550   13.963  183.248   9.7674  191.475   13.495 -8.226807 16.65914 
1 1 1  -22    5   34 o  680.894   17.480  1263.96   64.315   0.0000   0.0000  1263.96   64.315  ?   ?   680.894   17.480      ?      ? 
1 1 1  -22    5   36 o  240.827   12.462  157.658   16.217   0.0000   0.0000  157.658   16.217  ?   ?   240.827   12.462      ?      ? 
1 1 1  -22    5   37 o  336.825   5.7841  307.427   10.527  308.528   14.857  306.316   14.919  337.435   8.1481  336.216   8.2118 1.219269 11.56827 
1 1 1  -22    5   38 o  328.728   5.7809  292.922   10.267  292.413   14.666  293.410   14.377  328.436   8.2635  329.019   8.0865 -0.5824280 11.56185 
1 1 1  -22    5   39 o  248.392   5.8010  167.158   7.7820  160.305   10.815  174.514   11.206  243.116   8.2325  253.669   8.1751 -10.55219 11.60202 
1 1 1  -22    5   40 o  103.174   10.157   29.175   5.6526   31.143   7.9891   27.203   7.9989  106.708   13.855   99.640   14.856 7.068291 20.31435 
1 1 1  -22    5   41 o  451.108   6.5150  552.729   15.879  543.834   22.230  561.996   22.689  447.408   9.1951  454.807   9.2321 -7.399475 13.03001 
1 1 1  -22    5   42 o  146.425   7.4312   58.397   5.8777   58.823   8.4377   57.996   8.1924  146.930   10.627  145.920   10.390 1.009644 14.86235 
1 1 1  -22    5   43 o  303.401   5.8255  249.764   9.5426  261.617   13.839  239.020   13.176  310.248   8.2548  296.554   8.2223 13.69443 11.65105 
1 1 1  -22    5   44 o   53.070   13.841   6.2422   5.3338   3.6144   7.8140   8.5348   7.2987   48.898   19.548   57.242   19.600 -8.344147 27.68229 
1 1 1  -22    5   45 o  302.233   5.7004  248.153   9.3041  238.746   12.901  258.349   13.431  296.273   8.0581  308.194   8.0649 -11.92172 11.40073 
1 1 1  -22    5   46 o  138.033   7.7087   52.317   5.7305   47.502   8.1123   57.112   8.0959  131.589   11.409  144.477   10.370 -12.88795 15.41746 
1 1 1  -22    5   47 o  111.756   9.3596   34.552   5.6468   32.720   7.9581   36.410   8.0138  108.711   13.547  114.802   12.918 -6.091248 18.71913 
1 1 1  -22    5   48 o   87.488   11.211   21.836   5.1693   19.831   7.3707   23.777   7.2518   82.566   17.084   92.411   14.522 -9.845436 22.42204 
1 1 1  -22    5   49 o  103.899   10.089   30.235   5.6070   35.470   8.0051   25.192   7.8562  113.021   13.107   94.777   15.340 18.24491 20.17709 
1 1 1  -22    5   50 o  298.933   5.7670  244.501   9.3088  233.786   13.161  255.227   13.168  292.297   8.3327  305.569   7.9748 -13.27213 11.53393 
1 1 1  -22    5   51 o  110.569   9.2609   33.910   5.5113   38.292   8.1646   30.242   7.4699  117.139   12.899  103.999   13.292 13.14010 18.52188 
1 1 1  -22    5   52 o  143.776   7.8373   57.917   6.0091   47.904   8.5628   67.634   8.4349  131.050   12.092  156.503   9.9740 -25.45238 15.67451 
1 1 1  -22    5   53 f  194.743   6.3475  104.411   6.6753  103.670   9.5935  105.108   9.2943  194.002   9.1513  195.484   8.7987 -1.481964 12.69500 
1 1 1  -22    5   54 o  113.463   9.4710   36.641   5.7633   33.401   8.4039   39.518   7.9187  108.319   14.358  118.608   12.355 -10.28892 18.94201 
1 1 1  -22    5   55 o   71.724   13.903   15.762   5.6773   20.594   8.2407   11.396   7.8326   81.791   19.007   61.656   20.294 20.13518 27.80528 
1 1 1  -22    5   56 o  155.632   7.4128   67.617   6.2311   65.892   8.8612   69.304   8.7639  153.575   10.678  157.689   10.285 -4.113876 14.82565 
1 1 1  -22    5   57 o   43.363   13.166   1.0010   5.5594   2.6472   8.0341  -0.5114   7.7008   45.859   19.232   40.868   17.987 4.991123 26.33257 
1 1 1  -22    5   58 o  162.861   7.8405   74.054   6.8371   89.363   10.165   61.406   9.2394  178.412   10.544  147.309   11.607 31.10330 15.68110 
1 1 1  -22    5   59 o   82.696   13.759   22.030   6.1389   28.421   8.9214   16.282   8.4602   95.202   18.001   70.191   20.813 25.01147 27.51813 
1 1 1  -22    5   60 o   51.239   14.548   5.9784   6.1284   8.0506   9.2115   4.3328   8.2086   54.764   21.433   47.713   19.676 7.050575 29.09524 
1 1 1  -22    5   61 o   55.582   16.752   5.5588   8.8030   7.3018   13.228   4.1734   11.793   58.160   24.549   53.004   22.801 5.155819 33.50457 
1 1 1  -22    5   63 o   99.205   17.881   37.640   10.043   51.464   14.664   25.428   13.783  119.615   23.526   78.796   26.935 40.81897 35.76264 
1 1 1  -22    5   64 o   52.146   14.928   8.4229   6.7812   3.7426   10.141   12.209   9.1204   46.648   20.580   57.644   21.631 -10.99586 29.85693 
1 1 1  -22    6    1 o  867.248   13.073  2021.83   56.901  2082.21  102.121  1994.64   68.524  876.096   21.571  858.400   14.773 17.69617 26.14501 
1 1 1  -22    6    2 o  626.633   9.7748  1066.82   31.207  1050.22   53.822  1075.23   38.303  622.770   15.994  630.496   11.243 -7.726257 19.54965 
1 1 1  -22    6    3 o  607.468   9.4921  994.636   29.279  987.120   35.679  1010.14   51.234  604.129   10.929  610.807   15.523 -6.678467 18.98420 
1 1 1  -22    6    4 o  1066.55   15.776  3085.67   85.728  3083.46  105.007  3090.09  148.452  1066.75   18.217  1066.35   25.763 0.3944092 31.55280 
1 1 1  -22    6    5 o  670.730   11.938  1216.37   43.220  1175.22   59.414  1262.61   62.988  658.724   16.692  682.737   17.073 -24.01324 23.87682 
1 1 1  -22    6    6 o  615.701   11.118  1025.28   36.966  995.270   51.140  1058.11   53.495  606.288   15.610  625.115   15.837 -18.82715 22.23657 
1 1 1  -22    6    7 o  761.802   13.350  1572.45   54.947  1549.32   76.862  1596.62   78.579  756.083   18.813  767.520   18.946 -11.43689 26.69998 
1 1 1  -22    6    8 f  775.390   9.5673  1626.16   40.072  1595.33   55.773  1659.05   57.613  767.807   13.443  782.973   13.617 -15.16547 19.13456 
1 1 1  -22    6    9 o  403.567   5.7544  440.288   12.546  440.588   17.930  440.001   17.562  403.699   8.2193  403.435   8.0558 0.2642517 11.50880 
1 1 1  -22    6   10 o  555.779   7.1981  835.338   21.617  831.815   30.582  838.857   30.562  554.606   10.204  556.951   10.155 -2.345032 14.39620 
1 1 1  -22    6   11 o  242.429   4.9791  158.272   6.5048  166.531   9.6414  151.372   8.8127  248.210   7.1884  236.648   6.8916 11.56160 9.958294 
1 1 1  -22    6   12 f  216.298   5.0462  126.508   5.8893  117.769   8.2780  135.464   8.3803  208.729   7.3393  223.867   6.9276 -15.13782 10.09239 
1 1 1  -22    6   13 o  887.899   10.832  2133.25   51.949  2093.35   72.173  2176.15   74.834  879.304   15.190  896.493   15.448 -17.18884 21.66463 
1 1 1  -22    6   14 o  443.505   6.1528  531.623   14.743  520.545   20.621  543.205   21.086  438.780   8.6972  448.229   8.7057 -9.448517 12.30569 
1 1 1  -22    6   15 o  511.352   6.7983  706.765   18.776  717.947   27.042  696.356   26.091  515.250   9.7126  507.453   9.5150 7.797455 13.59669 
1 1 1  -22    6   16 o  1074.46   12.980  3129.50   75.351  3154.93  107.569  3105.00  105.584  1078.72   18.454  1070.19   18.258 8.530273 25.95943 
1 1 1  -22    6   17 o  686.748   8.6324  1276.21   32.033  1265.77   45.046  1286.89   45.562  683.908   12.189  689.588   12.227 -5.680176 17.26480 
1 1 1  -22    6   18 o  421.389   6.0174  480.185   13.701  478.435   19.481  481.897   19.273  420.627   8.5708  422.152   8.4487 -1.524506 12.03486 
1 1 1  -22    6   19 o  397.528   5.8590  427.076   12.578  433.862   18.167  420.828   17.432  400.555   8.3932  394.500   8.1772 6.054077 11.71806 
1 1 1  -22    6   20 o  350.541   5.6081  331.840   10.616  316.879   14.735  347.988   15.308  342.334   7.9654  358.747   7.8966 -16.41309 11.21622 
1 1 1  -22    6   21 o  143.199   7.4494   55.554   5.7375   62.497   8.1936   48.873   8.0367  152.000   9.9757  134.398   11.066 17.60268 14.89886 
1 1 1  -22    6   22 o  584.261   7.6436  923.614   24.132  919.171   34.129  928.057   34.126  582.854   10.836  585.669   10.783 -2.814575 15.28727 
1 1 1  -22    6   23 o  268.385   5.7900  194.523   8.3809  190.766   11.456  198.848   12.293  265.607   7.9820  271.164   8.3894 -5.556641 11.57997 
1 1 1  -22    6   24 o  569.910   7.5525  877.885   23.239  855.140   32.069  903.034   33.722  562.156   10.557  577.663   10.803 -15.50714 15.10491 
1 1 1  -22    6   25 o  567.395   7.6046  871.129   23.313  866.632   32.715  875.769   33.231  565.912   10.698  568.878   10.810 -2.966187 15.20912 
1 1 1  -22    6   26 o  401.212   6.3234  433.863   13.664  417.469   18.455  453.752   20.328  392.867   8.6933  409.558   9.1852 -16.69073 12.64678 
1 1 1  -22    6   27 o  508.204   7.0374  698.612   19.318  687.023   26.864  711.022   27.799  503.848   9.8670  512.559   10.037 -8.710205 14.07477 
1 1 1  -22    6   28 o  576.004   7.6446  898.285   23.793  894.256   33.483  902.395   33.817  574.703   10.782  577.306   10.840 -2.602783 15.28913 
1 1 1  -22    6   29 o  131.265   9.2953   47.148   6.5210   54.125   9.1117   39.822   9.3366  141.352   11.929  121.178   14.259 20.17377 18.59063 
1 1 1  -22    6   30 o  513.107   7.0527  712.591   19.550  702.349   27.273  723.415   28.037  509.324   9.9094  516.891   10.038 -7.567474 14.10532 
1 1 1  -22    6   31 o  578.937   7.6647  908.180   23.977  898.200   33.746  918.355   34.074  575.724   10.847  582.149   10.832 -6.425842 15.32943 
1 1 1  -22    6   32 o  349.740   5.9579  330.883   11.255  338.776   16.207  323.533   15.641  353.760   8.4785  345.719   8.3726 8.041931 11.91574 
1 1 1  -22    6   33 o  267.604   8.3614  194.580   12.065  188.356   17.475  200.248   16.677  263.467   12.275  271.741   11.357 -8.273743 16.72279 
1 1 1  -22    6   36 o  162.129   9.1701   70.798   7.6172   69.295   9.3395   73.784   13.164  159.757   10.819  164.500   14.809 -4.743057 18.34015 
1 1 1  -22    6   37 o  423.613   6.2993  486.199   14.408  496.542   20.871  476.783   19.915  427.892   9.0266  419.333   8.7888 8.559204 12.59854 
1 1 1  -22    6   38 o  131.794   8.2125   47.170   5.8336   52.143   8.4377   42.617   8.0742  138.462   11.277  125.126   11.942 13.33561 16.42495 
1 1 1  -22    6   39 o  104.343   10.062   29.965   5.6312   26.146   8.0369   33.648   7.8924   97.678   15.227  111.007   13.158 -13.32854 20.12379 
1 1 1  -22    6   40 f  210.575   6.1842  120.391   6.9969  103.958   9.7261  138.019   10.073  195.626   9.2008  225.523   8.2659 -29.89758 12.36848 
1 1 1  -22    6   41 o   67.717   13.865   12.841   5.3933   15.435   7.9096   10.588   7.3731   73.333   19.589   62.102   19.628 11.23077 27.73060 
1 1 1  -22    6   42 o  168.197   6.9059   76.982   6.2747   78.967   9.0122   75.114   8.7414  170.297   9.7935  166.098   9.7393 4.198730 13.81186 
1 1 1  -22    6   43 o   57.583   14.098   8.3907   5.3359   9.8367   7.9586   7.2100   7.1917   60.812   20.469   54.354   19.393 6.458035 28.19698 
1 1 1  -22    6   44 o  119.826   8.9864   39.438   5.8062   38.996   8.4652   39.830   7.9788  119.126   13.151  120.527   12.251 -1.400864 17.97278 
1 1 1  -22    6   45 o  130.776   8.2352   47.291   5.7661   41.352   8.3310   52.753   7.9889  122.671   12.568  138.882   10.645 -16.21137 16.47045 
1 1 1  -22    6   46 o  317.641   5.7454  274.889   9.8591  274.759   14.099  275.015   13.792  317.537   8.2169  317.745   8.0325 -0.2079163 11.49080 
1 1 1  -22    6   47 o   80.263   12.339   18.803   5.2014   17.379   7.3812   20.208   7.3310   77.027   18.049   83.498   16.829 -6.470993 24.67764 
1 1 1  -22    6   48 o  356.158   5.9019  346.079   11.352  352.423   16.395  340.237   15.733  359.247   8.4454  353.068   8.2465 6.178864 11.80380 
1 1 1  -22    6   49 o   68.292   13.415   13.250   5.2322   18.718   7.9433   9.0586   6.9539   79.376   18.808   57.208   19.134 22.16747 26.82977 
1 1 1  -22    6   50 o  181.531   6.6224   90.435   6.4830   91.446   9.4961   89.553   8.8724  182.395   9.6349  180.667   9.0881 1.727310 13.24483 
1 1 1  -22    6   51 o  118.576   8.9561   39.407   5.6962   44.970   8.0844   33.922   8.0271  127.183   11.763  109.969   13.508 17.21405 17.91226 
1 1 1  -22    6   52 o   81.333   12.568   19.894   5.5055   14.459   7.9770   24.837   7.6081   69.126   20.131   93.541   15.052 -24.41421 25.13593 
1 1 1  -22    6   53 o  141.795   9.7710   54.740   6.8601   62.275   12.843   51.732   8.1148  147.218   16.144  136.373   11.012 10.84497 19.54200 
1 1 1  -22    6   54 o   72.813   13.647   16.814   5.6467   11.149   8.6177   21.076   7.4749   61.782   21.291   83.843   17.079 -22.06106 27.29455 
1 1 1  -22    6   55 o   90.610   12.364   24.758   5.8840   18.580   8.2510   31.151   8.3934   77.208   19.710  104.013   14.933 -26.80574 24.72803 
1 1 1  -22    6   56 o   53.315   14.456   6.9439   5.8410   7.5056   8.2754   6.3861   8.2456   54.304   20.554   52.327   20.334 1.977432 28.91267 
1 1 1  -22    6   57 o   46.151   13.537   2.4459   5.7372  -1.7304   8.1527   6.5431   8.0752   40.403   18.099   51.900   20.135 -11.49684 27.07395 
1 1 1  -22    6   58 o   63.313   14.815   12.531   6.0164   9.4664   8.6993   15.342   8.3298   57.497   21.214   69.129   20.687 -11.63225 29.63070 
1 1 1  -22    6   59 o   67.574   15.461   15.304   6.4606   17.075   9.2892   13.645   8.9913   70.912   21.973   64.235   21.756 6.676651 30.92154 
1 1 1  -22    6   60 o  220.526   8.7800  136.214   9.8701  150.856   17.389  129.254   11.989  227.040   14.173  214.013   10.367 13.02731 17.56001 
1 1 1  -22    6   61 o   35.727   17.806 -28.0856   13.776 -28.0856   13.776   0.0000   0.0000   35.727   17.806  ?   ?       ?      ? 
1 1 1  -22    6   62 o   50.375   23.144   1.9930   14.404   1.9930   14.404   0.0000   0.0000   50.375   23.144  ?   ?       ?      ? 
1 1 1  -22    6   63 o   78.216   18.208   24.291   9.6360   35.203   13.743   13.739   13.515   94.234   26.096   62.198   25.401 32.03550 36.41675 
1 1 1  -22    7    1 o  363.241   5.4523  356.652   10.693  357.292   15.444  356.063   14.820  363.550   7.8615  362.932   7.5570 0.6184387 10.90465 
1 1 1  -22    7    2 o  271.372   6.4330  190.151   8.2679  217.838   16.756  181.241   9.5056  283.798   10.926  258.947   6.7933 24.85080 12.86609 
1 1 1  -22    7    3 o  1243.68   18.438  4167.88  115.096  4301.80  206.587  4107.60  138.599  1256.70   30.422  1230.65   20.842 26.04871 36.87633 
1 1 1  -22    7    4 o  584.245   10.721  923.360   33.832  896.622   47.034  952.027   48.700  575.490   15.125  592.999   15.198 -17.50848 21.44161 
1 1 1  -22    7    5 o  303.694   7.4506  249.530   12.206  247.748   17.759  251.126   16.803  302.656   10.859  304.732   10.204 -2.075104 14.90110 
1 1 1  -22    7    6 o  466.779   9.0915  588.544   22.887  604.730   33.610  574.549   31.252  472.737   13.157  460.822   12.550 11.91571 18.18292 
1 1 1  -22    7    7 o  510.514   6.8043  702.523   18.734  670.565   25.536  739.768   27.568  497.987   9.4897  523.041   9.7539 -25.05396 13.60857 
1 1 1  -22    7    8 o  525.592   6.9588  745.881   19.748  718.033   27.274  776.566   28.630  515.298   9.7951  535.885   9.8870 -20.58740 13.91755 
1 1 1  -22    7    9 o  767.008   9.4990  1591.64   39.364  1569.22   55.081  1615.04   56.277  761.494   13.386  772.523   13.481 -11.02948 18.99801 
1 1 1  -22    7   10 o  408.555   5.8622  451.198   12.937  453.495   18.568  449.031   18.036  409.562   8.3897  407.548   8.1898 2.014709 11.72435 
1 1 1  -22    7   11 o  211.911   5.1777  120.232   5.8988  133.528   8.9026  109.826   7.8758  222.253   7.4127  201.568   7.2308 20.68571 10.35533 
1 1 1  -22    7   12 o  259.394   5.0438  181.869   7.0593  182.090   10.270  181.670   9.7197  259.540   7.3225  259.248   6.9383 0.2928162 10.08753 
1 1 1  -22    7   13 o  125.258   6.7303   42.723   4.5211   39.258   6.6389   45.720   6.1739  120.480   10.197  130.036   8.7864 -9.556000 13.46062 
1 1 1  -22    7   14 o  313.617   5.2875  265.266   8.9469  276.937   13.103  255.071   12.247  320.063   7.5759  307.172   7.3781 12.89102 10.57496 
1 1 1  -22    7   15 o  645.222   8.2055  1126.26   28.607  1112.50   40.164  1140.42   40.754  641.226   11.592  649.219   11.617 -7.992432 16.41091 
1 1 1  -22    7   16 o  379.652   5.7611  389.569   11.813  394.408   17.014  385.064   16.415  381.924   8.2439  377.380   8.0497 4.544708 11.52218 
1 1 1  -22    7   17 o  550.817   7.2373  820.636   21.540  809.575   30.248  832.016   30.681  547.052   10.232  554.582   10.238 -7.529663 14.47460 
1 1 1  -22    7   18 o  392.384   5.8695  416.391   12.443  413.408   17.744  419.276   17.452  390.997   8.3984  393.771   8.2020 -2.773376 11.73909 
1 1 1  -22    7   19 o  371.498   5.8149  373.044   11.666  377.029   16.831  369.359   16.185  373.402   8.3415  369.593   8.1038 3.809204 11.62981 
1 1 1  -22    7   20 o  559.115   7.3914  845.593   22.330  834.264   31.361  857.242   31.802  555.317   10.451  562.913   10.455 -7.595215 14.78283 
1 1 1  -22    7   21 f  715.776   9.0287  1385.72   34.901  1350.92   48.349  1423.58   50.431  706.413   12.666  725.138   12.870 -18.72498 18.05739 
1 1 1  -22    7   22 o  354.577   5.8702  339.785   11.241  345.749   16.235  334.294   15.578  357.560   8.4028  351.595   8.1994 5.965271 11.74040 
1 1 1  -22    7   23 o  404.268   6.2129  441.613   13.565  428.629   18.820  455.651   19.570  398.092   8.7490  410.445   8.8236 -12.35315 12.42579 
1 1 1  -22    7   24 o  1006.99   12.282  2750.85   66.826  2731.30   93.939  2770.87   95.083  1003.38   17.326  1010.60   17.412 -7.220764 24.56304 
1 1 1  -22    7   25 o  379.660   6.2043  389.242   12.717  374.507   17.543  405.561   18.462  372.102   8.7248  387.217   8.8233 -15.11542 12.40852 
1 1 1  -22    7   26 f  398.248   6.2873  428.090   13.504  414.062   18.426  444.369   19.849  391.226   8.7159  405.270   9.0637 -14.04416 12.57453 
1 1 1  -22    7   27 o  209.244   6.6062  117.743   7.4462  107.991   10.080  129.458   11.048  199.766   9.3376  218.722   9.3476 -18.95528 13.21242 
1 1 1  -22    7   28 o  177.812   7.3340   86.259   6.9865   97.159   9.7497   74.754   10.017  189.476   9.5224  166.148   11.157 23.32750 14.66795 
1 1 1  -22    7   29 f  426.370   6.4284  491.198   14.795  475.148   20.362  509.151   21.535  419.011   8.9930  433.729   9.1883 -14.71783 12.85689 
1 1 1  -22    7   30 o  434.571   6.4638  510.936   15.173  498.570   21.096  524.185   21.837  429.132   9.0977  440.010   9.1844 -10.87738 12.92754 
1 1 1  -22    7   31 o  315.083   5.8909  268.542   10.024  273.849   14.472  263.647   13.898  318.067   8.4201  312.098   8.2410 5.968781 11.78187 
1 1 1  -22    7   32 o  463.002   8.1203  580.996   19.300  580.244   23.824  582.432   32.920  462.832   9.5260  463.171   13.153 -0.3385925 16.24052 
1 1 1  -22    7   33 o  461.622   13.181  578.829   32.879   0.0000   0.0000  578.829   32.879  ?   ?   461.622   13.181      ?      ? 
1 1 1  -22    7   35 o  161.083   11.223   70.565   9.7344   73.784   14.505   67.928   13.130  164.365   16.332  157.801   15.398 6.563187 22.44620 
1 1 1  -22    7   36 o  292.712   5.7992  231.457   9.1582  247.014   13.400  217.820   12.545  301.912   8.2136  283.512   8.1890 18.39951 11.59835 
1 1 1  -22    7   37 o  293.027   5.8453  232.828   9.2520  225.145   13.071  240.542   13.098  288.167   8.3941  297.888   8.1369 -9.721680 11.69060 
1 1 1  -22    7   38 o  283.690   5.7644  218.052   8.8292  205.915   12.287  231.012   12.696  275.523   8.2526  291.858   8.0503 -16.33505 11.52878 
1 1 1  -22    7   39 o  343.342   5.8727  320.061   10.883  316.559   15.726  323.281   15.077  341.499   8.5219  345.185   8.0828 -3.686981 11.74540 
1 1 1  -22    7   40 o  184.036   6.5995   91.951   6.5597   94.724   9.4630   89.387   9.1011  186.699   9.3799  181.373   9.2861 5.325394 13.19903 
1 1 1  -22    7   41 o  207.573   6.2404  117.165   6.9939  111.763   9.8931  122.562   9.8886  202.759   9.0296  212.387   8.6162 -9.628418 12.48087 
1 1 1  -22    7   42 o  126.720   8.5709   43.751   5.8531   46.641   8.6768   41.338   7.9287  130.519   12.303  122.922   11.937 7.596375 17.14172 
1 1 1  -22    7   43 f  144.005   7.4902   56.695   5.8173   55.473   8.4388   57.802   8.0302  142.471   10.961  145.540   10.211 -3.069824 14.98041 
1 1 1  -22    7   44 o  196.298   6.2777  104.973   6.6547  100.346   9.3797  109.663   9.4431  191.911   9.0448  200.684   8.7079 -8.772797 12.55532 
1 1 1  -22    7   45 o  418.451   6.2809  477.482   14.202  472.560   20.083  482.405   20.085  416.274   8.9282  420.627   8.8367 -4.353607 12.56183 
1 1 1  -22    7   46 o   51.135   12.963   4.0610   5.2841  -4.0799   7.4795   12.173   7.4662   37.269   16.953   65.000   19.616 -27.73152 25.92668 
1 1 1  -22    7   47 o  131.262   7.9751   47.140   5.6330   50.204   8.4463   44.685   7.5597  135.019   11.577  127.504   10.972 7.514847 15.95018 
1 1 1  -22    7   48 o  134.259   8.1984   49.823   5.9288   48.630   8.6759   50.869   8.1208  132.622   12.106  135.897   11.059 -3.274643 16.39680 
1 1 1  -22    7   49 o   89.126   11.810   23.079   5.4688   21.934   8.4599   23.902   7.1679   85.917   18.749   92.334   14.366 -6.416649 23.62007 
1 1 1  -22    7   50 o   81.525   11.935   19.174   5.4007   32.848   8.0176   7.8162   7.3073  108.304   13.700   54.745   19.547 53.55871 23.86950 
1 1 1  -22    7   51 o  122.509   8.9434   41.976   5.9058   45.867   8.4418   38.247   8.2650  128.219   12.184  116.799   13.095 11.41977 17.88688 
1 1 1  -22    7   52 o   53.895   13.824   7.0618   5.2798   10.562   7.8442   4.1626   7.1391   60.572   20.322   47.218   18.747 13.35429 27.64781 
1 1 1  -22    7   53 o   75.589   13.201   17.766   5.4935   12.397   8.0456   22.455   7.5192   64.221   20.525   86.957   16.608 -22.73629 26.40291 
1 1 1  -22    7   54 o   35.501   11.693  -6.2635   5.5367  -9.4888   7.9531  -3.2303   7.7126   32.990   15.778   38.012   17.262 -5.022236 23.38600 
1 1 1  -22    7   55 o  121.157   9.8309   42.807   6.2775   34.201   9.1837   50.354   8.6003  108.600   15.649  133.713   11.903 -25.11297 19.66176 
1 1 1  -22    7   56 o   60.328   14.135   10.105   5.8880   3.1562   8.3753   16.895   8.2793   47.391   19.736   73.265   20.241 -25.87471 28.27078 
1 1 1  -22    7   57 o  238.247   6.3316  157.101   8.1267  164.883   12.068  150.644   10.993  243.465   9.1729  233.030   8.7300 10.43498 12.66316 
1 1 1  -22    7   58 o   50.791   14.363   5.8936   5.9500   5.8112   8.8727   5.9609   8.0208   51.277   20.713   50.306   19.903 0.9716988 28.72537 
1 1 1  -22    7   59 o  100.396   12.559   32.341   6.4057   25.789   9.8249   37.185   8.4482   88.164   20.935  112.628   13.881 -24.46385 25.11890 
1 1 1  -22    7   60 o  209.721   10.092  124.941   11.270  154.775   17.805  105.000   14.556  229.936   14.330  189.505   14.215 40.43173 20.18454 
1 1 1  -22    7   62 o   68.125   18.672   18.023   9.8224   22.680   14.655   14.225   13.235   73.428   27.446   62.822   25.325 10.60676 37.34499 
1 1 1  -22    7   63 o  124.710   13.429   47.755   8.5051   67.815   15.627   39.312   10.138  139.221   20.772  110.199   17.025 29.02227 26.85793 
1 1 1  -22    8    2 o  607.988   7.8045  998.860   25.627  970.367   35.541  1029.72   36.986  598.969   10.981  617.007   11.093 -18.03864 15.60906 
1 1 1  -22    8    3 o  895.500   13.462  2173.10   61.178  2175.45  106.777  2171.95   74.645  895.362   22.069  895.638   15.423 -0.2760620 26.92474 
1 1 1  -22    8    4 o  648.757   11.731  1140.02   41.121  1135.14   58.394  1144.82   57.918  647.369   16.693  650.145   16.486 -2.775696 23.46141 
1 1 1  -22    8    5 o  589.684   10.868  940.881   34.601  955.856   50.127  927.252   47.822  594.143   15.613  585.225   15.122 8.917480 21.73607 
1 1 1  -22    8    6 o  920.428   13.823  2280.59   64.200  2251.91   77.694  2342.34  113.992  911.923   15.767  928.933   22.709 -17.01007 27.64598 
1 1 1  -22    8    7 o  320.357   5.3237  277.505   9.2089  275.372   13.256  279.494   12.802  319.164   7.6865  321.551   7.3679 -2.386871 10.64745 
1 1 1  -22    8    8 o  1054.04   12.751  3007.47   72.564  2934.68  100.185  3087.79  105.243  1040.67   17.816  1067.40   18.247 -26.72522 25.50167 
1 1 1  -22    8    9 o  586.138   7.5796  928.699   23.999  907.250   33.434  951.496   34.469  579.163   10.683  593.113   10.755 -13.95038 15.15921 
1 1 1  -22    8   10 o  894.143   10.928  2165.02   52.801  2153.41   74.448  2176.78   74.898  891.730   15.450  896.555   15.460 -4.824768 21.85654 
1 1 1  -22    8   11 o  447.171   6.2379  539.392   15.055  513.071   20.689  569.015   21.948  435.605   8.7893  458.736   8.8541 -23.13171 12.47589 
1 1 1  -22    8   12 o  175.115   5.7163   83.161   5.3865   79.663   7.8877   86.218   7.3737  171.647   8.5041  178.583   7.6411 -6.935303 11.43264 
1 1 1  -22    8   13 o  454.990   6.3536  559.812   15.620  559.593   22.235  560.026   21.946  454.899   9.0456  455.080   8.9246 -0.1809998 12.70713 
1 1 1  -22    8   14 o  767.134   9.5343  1592.44   39.509  1562.30   54.994  1624.59   56.799  759.647   13.397  774.620   13.570 -14.97333 19.06869 
1 1 1  -22    8   15 o  356.184   7.8727  343.026   15.153   0.0000   0.0000  343.026   15.153  ?   ?   356.184   7.8727      ?      ? 
1 1 1  -22    8   16 o  525.639   7.0292  747.430   19.964  745.451   28.419  749.357   28.051  524.947   10.018  526.331   9.8627 -1.383545 14.05849 
1 1 1  -22    8   18 o  403.008   6.0531  439.229   13.175  438.307   18.934  440.095   18.345  402.592   8.7033  403.424   8.4151 -0.8322144 12.10626 
1 1 1  -22    8   19 o  420.323   6.2245  477.833   14.136  469.783   20.015  485.844   19.968  416.787   8.8868  423.859   8.7180 -7.072205 12.44909 
1 1 1  -22    8   20 o  395.805   6.1309  423.576   13.106  405.378   18.385  442.379   18.688  387.158   8.7881  404.452   8.5510 -17.29395 12.26172 
1 1 1  -22    8   21 o  658.508   8.4463  1173.79   30.054  1160.65   42.328  1187.15   42.680  654.789   11.963  662.228   11.927 -7.439087 16.89261 
1 1 1  -22    8   22 o  242.139   6.1485  158.807   8.0239  145.148   11.320  172.598   11.375  231.650   9.0434  252.628   8.3327 -20.97760 12.29703 
1 1 1  -22    8   24 o  381.551   6.2270  393.740   12.838  389.423   18.038  398.173   18.276  379.432   8.7975  383.670   8.8153 -4.238068 12.45410 
1 1 1  -22    8   25 o  577.910   7.6843  903.871   23.992  888.423   33.539  920.062   34.336  572.858   10.835  582.963   10.900 -10.10419 15.36870 
1 1 1  -22    8   26 f  173.205   7.4479   81.509   6.9247   92.802   9.8342   70.404   9.7524  185.169   9.8284  161.240   11.193 23.92873 14.89571 
1 1 1  -22    8   27 o  155.763   8.0474   65.924   6.7367   57.922   9.5109   73.980   9.5436  146.224   12.037  165.301   10.684 -19.07726 16.09473 
1 1 1  -22    8   28 o  162.445   11.184   71.480   9.8169   71.480   9.8169   0.0000   0.0000  162.445   11.184  ?   ?       ?      ? 
1 1 1  -22    8   29 o  519.745   7.1275  731.690   20.014  731.133   28.577  732.226   28.039  519.539   10.179  519.952   9.9796 -0.4135742 14.25496 
1 1 1  -22    8   30 o  331.025   5.9099  296.684   10.563  294.495   15.209  298.724   14.682  329.831   8.5336  332.218   8.1784 -2.386292 11.81977 
1 1 1  -22    8   31 o  230.618   7.7206  142.454   9.3432  137.282   11.777  151.239   15.348  225.118   9.6810  236.117   12.030 -10.99916 15.44121 
1 1 1  -22    8   32 o  287.333   8.5464  223.976   13.251  225.450   19.286  222.658   18.238  288.197   12.384  286.469   11.782 1.727661 17.09288 
1 1 1  -22    8   34 o  498.284   13.790  675.901   37.130   0.0000   0.0000  675.901   37.130  ?   ?   498.284   13.790      ?      ? 
1 1 1  -22    8   35 o  321.709   7.1088  282.202   11.789  285.411   14.670  276.351   19.810  324.521   8.3658  318.897   11.496 5.623901 14.21763 
1 1 1  -22    8   36 o  147.577   7.9034   59.188   6.3017   59.752   9.0039   58.647   8.8228  148.261   11.239  146.894   11.115 1.367020 15.80684 
1 1 1  -22    8   37 o  227.444   6.0492  140.353   7.4338  138.646   10.549  142.037   10.478  226.061   8.6353  228.826   8.4737 -2.765381 12.09842 
1 1 1  -22    8   38 o  134.072   8.1680   47.702   5.8232   61.617   9.0259   37.781   7.6216  150.427   11.104  117.716   11.982 32.71169 16.33593 
1 1 1  -22    8   39 o   49.978   13.953   3.9975   5.5730   3.0789   8.1218   4.8148   7.6612   49.043   19.815   50.914   19.651 -1.871304 27.90699 
1 1 1  -22    8   40 f  256.563   5.8553  178.828   8.1131  174.037   11.556  183.486   11.393  253.147   8.4478  259.980   8.1099 -6.833130 11.71051 
1 1 1  -22    8   41 o  148.774   7.7562   60.998   6.1732   53.646   8.9891   67.560   8.4923  140.078   11.876  157.470   9.9803 -17.39151 15.51250 
1 1 1  -22    8   42 o  243.781   6.0450  162.030   7.9420  149.702   11.295  174.086   11.170  234.516   8.9129  253.045   8.1686 -18.52895 12.08995 
1 1 1  -22    8   43 o  305.535   5.8187  253.989   9.6029  251.561   13.737  256.310   13.430  304.074   8.3601  306.997   8.0955 -2.923004 11.63735 
1 1 1  -22    8   44 o  258.044   5.8269  181.542   8.1020  165.520   11.435  197.696   11.481  246.510   8.5842  269.577   7.8817 -23.06738 11.65374 
1 1 1  -22    8   45 o  145.428   7.5525   57.946   5.9299   58.824   8.5928   57.149   8.1937  146.443   10.859  144.413   10.500 2.029541 15.10497 
1 1 1  -22    8   46 o  139.313   7.7422   52.696   5.7919   59.173   8.8096   47.765   7.6866  146.732   11.111  131.895   10.785 14.83638 15.48434 
1 1 1  -22    8   47 o  121.977   8.8593   41.019   5.7941   42.210   8.8081   40.110   7.6928  123.375   13.212  120.579   11.807 2.795998 17.71863 
1 1 1  -22    8   48 o   47.836   13.444   3.9204   5.2394   2.1099   7.7472   5.4464   7.1126   45.698   19.003   49.974   19.022 -4.276134 26.88735 
1 1 1  -22    8   49 o  126.461   8.8412   44.722   6.0051   40.552   8.6728   48.563   8.3229  120.524   13.317  132.398   11.633 -11.87416 17.68249 
1 1 1  -22    8   50 o   96.921   10.609   26.560   5.5542   27.545   7.9643   25.628   7.7497   98.689   14.934   95.153   15.072 3.536133 21.21808 
1 1 1  -22    8   51 o  146.934   8.1235   59.967   6.4414   64.437   9.2823   55.815   8.9459  152.283   11.280  141.584   11.693 10.69853 16.24704 
1 1 1  -22    8   52 o  163.225   7.3157   73.607   6.4399   80.194   9.3952   67.769   8.8444  170.141   10.219  156.309   10.471 13.83171 14.63136 
1 1 1  -22    8   53 o  163.425   7.5613   73.596   6.6399   82.005   10.059   67.103   8.8394  171.540   10.852  155.310   10.533 16.22946 15.12264 
1 1 1  -22    8   54 o   85.283   12.492   21.591   5.8723   36.154   8.7771   9.7896   7.9012  112.285   14.466   58.280   20.370 54.00513 24.98352 
1 1 1  -22    8   55 o   70.578   14.244   15.574   5.6922   15.197   8.4571   15.887   7.6964   69.662   20.844   71.494   19.419 -1.831879 28.48829 
1 1 1  -22    8   56 o  101.117   11.142   29.788   6.0528   31.261   9.1364   28.636   8.0805  103.002   16.415   99.232   15.069 3.769661 22.28321 
1 1 1  -22    8   57 o   34.088   11.449 -10.7933   5.8429  -2.3101   8.5662 -18.1735   7.9899   40.657   18.353   27.520   13.691 13.13663 22.89711 
1 1 1  -22    8   58 o   47.967   14.088   3.8256   6.2138  -0.7398   9.4159   7.3479   8.2705   43.481   19.466   52.453   20.369 -8.972061 28.17548 
1 1 1  -22    8   59 o  120.914   12.907   39.118   7.6599   65.090   14.611   29.274   8.9952  145.008   18.646   96.820   17.851 48.18816 25.81328 
1 1 1  -22    8   60 o   40.393   13.837 -14.9850   8.9834 -10.2072   14.176 -18.1914   11.613   44.985   21.388   35.800   17.562 9.185448 27.67467 
1 1 1  -22    8   61 o   49.267   23.264  -2.4144   16.229  -2.4144   16.229   0.0000   0.0000   49.267   23.264  ?   ?       ?      ? 
1 1 1  -22    8   62 o  116.040   16.347   48.082   9.8387   49.032   14.746   47.320   13.209  115.427   24.404  116.653   21.755 -1.226196 32.69328 
1 1 1  -22    8   63 o  132.074   10.479   54.320   7.4161   58.698   11.381   51.089   9.7771  135.774   15.512  128.375   14.094 7.398422 20.95856 
1 1 1  -22    9    1 o  411.127   6.0074  456.888   13.342  441.122   18.720  473.163   19.020  403.918   8.5770  418.336   8.4137 -14.41818 12.01483 
1 1 1  -22    9    2 o  648.831   8.2831  1138.55   29.036  1116.90   40.606  1161.21   41.535  642.523   11.696  655.140   11.733 -12.61688 16.56622 
1 1 1  -22    9    3 o  228.942   8.4434  141.895   10.404  140.856   15.388  142.770   14.120  228.154   12.482  229.729   11.374 -1.574768 16.88685 
1 1 1  -22    9    4 o  487.949   9.6046  644.313   25.319  625.450   35.546  663.739   36.073  480.695   13.685  495.203   13.481 -14.50833 19.20915 
1 1 1  -22    9    5 o  281.487   7.9049  210.740   11.878  237.162   18.641  192.680   15.412  296.076   11.651  266.898   10.686 29.17807 15.80976 
1 1 1  -22    9    6 o  581.152   9.2736  917.675   27.663  925.742   34.226  902.477   46.977  585.008   10.827  577.296   15.059 7.712708 18.54730 
1 1 1  -22    9    7 f  586.277   7.6202  929.787   24.140  927.779   34.294  931.759   33.986  585.646   10.837  586.908   10.716 -1.262329 15.24039 
1 1 1  -22    9    8 o  483.367   9.2390  631.822   24.132   0.0000   0.0000  631.822   24.132  ?   ?   483.367   9.2390      ?      ? 
1 1 1  -22    9    9 o  757.065   9.4302  1550.85   38.569  1523.85   53.827  1579.34   55.292  750.303   13.276  763.828   13.396 -13.52557 18.86042 
1 1 1  -22    9   10 o  133.997   7.2517   48.057   5.2200   53.462   7.9219   43.908   6.9397  140.584   10.428  127.410   10.080 13.17451 14.50331 
1 1 1  -22    9   11 o  291.202   5.3902  229.141   8.4625  231.024   12.417  227.507   11.564  292.313   7.8611  290.091   7.3770 2.221283 10.78040 
1 1 1  -22    9   12 o  568.976   7.4636  875.582   22.944  859.659   32.143  892.125   32.762  563.703   10.552  574.248   10.558 -10.54541 14.92725 
1 1 1  -22    9   13 o  377.937   5.8279  385.579   11.891  364.947   16.455  408.128   17.203  367.372   8.2892  388.502   8.1944 -21.13022 11.65587 
1 1 1  -22    9   15 o  718.982   9.0466  1399.45   35.147  1393.59   49.768  1405.28   49.643  717.476   12.837  720.488   12.751 -3.012939 18.09324 
1 1 1  -22    9   16 o  474.236   6.6236  608.343   16.968  605.471   24.281  611.085   23.721  473.135   9.4973  475.337   9.2353 -2.202240 13.24723 
1 1 1  -22    9   17 o  519.587   7.0481  730.024   19.776  737.115   28.547  723.482   27.421  522.002   10.121  517.171   9.8122 4.831055 14.09627 
1 1 1  -22    9   18 o  261.824   5.7850  185.172   8.1672  188.296   11.991  182.469   11.154  263.876   8.4097  259.773   7.9462 4.103027 11.56999 
1 1 1  -22    9   19 o  316.036   5.8563  269.958   9.9678  271.836   14.733  268.373   13.536  317.037   8.6000  315.034   7.9515 2.003052 11.71262 
1 1 1  -22    9   20 o  599.264   7.8737  970.519   25.477  934.826   35.208  1009.75   36.913  587.719   11.086  610.809   11.184 -23.08990 15.74748 
1 1 1  -22    9   21 o  750.329   9.4464  1524.80   38.297  1526.91   54.541  1522.74   53.787  750.831   13.443  749.828   13.275 1.002930 18.89273 
1 1 1  -22    9   22 o  664.519   12.011  1195.51   43.128   0.0000   0.0000  1195.51   43.128  ?   ?   664.519   12.011      ?      ? 
1 1 1  -22    9   23 o  361.924   6.0714  354.086   11.864  334.372   16.567  374.843   16.999  351.583   8.7200  372.266   8.4505 -20.68323 12.14284 
1 1 1  -22    9   24 o  198.001   6.7654  106.530   7.2085   98.815   10.413  113.630   9.9891  191.071   10.085  204.930   9.0205 -13.85959 13.53076 
1 1 1  -22    9   25 o  240.123   6.3154  156.022   8.1939  157.482   11.556  154.545   11.620  241.255   8.8641  238.990   8.9981 2.265839 12.63083 
1 1 1  -22    9   26 o  475.621   6.7968  612.257   17.467  604.866   24.686  619.668   24.719  472.742   9.6637  478.500   9.5602 -5.758179 13.59350 
1 1 1  -22    9   27 o  698.743   8.9158  1322.27   33.643  1287.25   46.573  1360.48   48.651  689.097   12.507  708.389   12.710 -19.29156 17.83162 
1 1 1  -22    9   28 o  634.032   8.2530  1089.62   28.273  1073.37   39.679  1106.38   40.296  629.231   11.670  638.833   11.673 -9.601440 16.50594 
1 1 1  -22    9   29 o  142.319   8.4813   54.827   6.5135   56.896   9.5199   53.006   8.9312  144.831   12.164  139.807   11.822 5.024048 16.96255 
1 1 1  -22    9   30 o  293.964   7.3805  235.090   11.376  238.002   14.487  230.405   18.375  296.459   9.0432  291.469   11.667 4.990662 14.76104 
1 1 1  -22    9   31 o  324.302   8.2976  285.128   14.522  289.414   21.153  281.306   19.971  326.577   11.987  322.028   11.477 4.548889 16.59521 
1 1 1  -22    9   33 o  205.101   12.195  114.324   13.516   0.0000   0.0000  114.324   13.516  ?   ?   205.101   12.195      ?      ? 
1 1 1  -22    9   34 o  527.747   8.9130  753.511   23.965  745.247   29.283  770.270   41.701  523.981   10.342  531.514   14.519 -7.533264 17.82598 
1 1 1  -22    9   35 o  141.401   8.3728   53.968   6.3458   64.552   9.3925   45.078   8.6076  154.104   11.279  128.699   12.377 25.40446 16.74553 
1 1 1  -22    9   36 o   74.916   14.167   15.946   5.8426   17.517   8.5766   14.586   7.9810   78.199   20.166   71.633   19.904 6.566322 28.33443 
1 1 1  -22    9   37 o  152.832   7.7181   63.311   6.3603   68.084   9.3684   59.231   8.6626  158.147   10.963  147.516   10.867 10.63065 15.43620 
1 1 1  -22    9   38 o  109.337   10.549   33.950   5.8609   24.420   8.3436   43.233   8.2346   92.768   17.280  125.906   12.103 -33.13752 21.09736 
1 1 1  -22    9   39 o  113.353   9.6668   34.962   5.9021   37.891   8.7859   32.554   7.9676  117.637   13.821  109.068   13.519 8.568855 19.33369 
1 1 1  -22    9   40 o  181.458   6.8044   89.948   6.6454   81.747   9.4778   97.880   9.3202  173.220   10.126  189.696   9.0924 -16.47604 13.60884 
1 1 1  -22    9   41 o  400.411   6.2070  435.531   13.402  446.991   19.699  425.655   18.286  405.236   8.9959  395.586   8.5545 9.649628 12.41397 
1 1 1  -22    9   42 o  188.341   6.5595   95.838   6.6209  102.763   10.161   90.728   8.7286  194.133   9.6857  182.548   8.8486 11.58434 13.11908 
1 1 1  -22    9   43 o  171.173   6.9118   78.571   6.3289   90.189   9.8389   70.370   8.2660  181.734   10.019  160.611   9.5243 21.12361 13.82359 
1 1 1  -22    9   44 o   61.556   14.080   9.8901   5.4392   14.600   8.2943   6.3361   7.2048   70.805   20.501   52.308   19.304 18.49728 28.15922 
1 1 1  -22    9   45 o   83.223   12.418   20.168   5.3761   20.076   8.1169   20.240   7.1757   82.754   18.604   83.692   16.453 -0.9380951 24.83586 
1 1 1  -22    9   46 o  238.199   5.9709  154.980   7.6639  153.805   11.244  155.999   10.474  237.259   8.7700  239.140   8.1053 -1.880981 11.94190 
1 1 1  -22    9   47 o  262.231   5.9705  188.379   8.4400  175.591   12.032  200.766   11.842  253.324   8.7898  271.138   8.0826 -17.81487 11.94105 
1 1 1  -22    9   48 o  176.935   6.6970   86.079   6.3768   84.888   9.4156   87.087   8.6672  175.664   9.9192  178.206   9.0006 -2.541962 13.39410 
1 1 1  -22    9   49 o  169.833   7.1211   79.080   6.5031   83.586   9.7873   75.519   8.7018  174.027   10.408  165.639   9.7220 8.388290 14.24218 
1 1 1  -22    9   50 o  356.365   6.0315  348.485   11.603  352.142   16.835  345.176   16.013  358.030   8.7015  354.700   8.3547 3.330231 12.06307 
1 1 1  -22    9   51 o   48.043   13.774   3.6104   5.6066   5.4039   8.0037   1.8824   7.8562   50.952   19.968   45.135   18.978 5.816776 27.54799 
1 1 1  -22    9   52 o   32.531   11.043 -10.0458   5.5733 -10.7163   8.4621  -9.5322   7.4066   33.601   16.124   31.462   15.094 2.138859 22.08656 
1 1 1  -22    9   53 o   70.814   14.497   15.561   5.8499   16.262   8.6542   14.971   7.9382   72.112   20.959   69.517   20.035 2.595146 28.99454 
1 1 1  -22    9   54 o  143.790   8.4641   57.322   6.5067   64.741   10.142   52.132   8.4824  151.353   12.401  136.227   11.523 15.12610 16.92816 
1 1 1  -22    9   55 o   80.297   12.954   21.298   6.0832   7.8925   9.2814   31.393   8.0543   56.053   21.631  104.541   14.258 -48.48806 25.90726 
1 1 1  -22    9   56 o  116.709   10.773   40.652   6.6098   33.726   9.9052   46.211   8.8749  106.312   17.242  127.106   12.921 -20.79363 21.54655 
1 1 1  -22    9   57 o  114.472   11.220   40.204   6.5250   32.359   9.7860   46.483   8.7552  101.786   18.472  127.159   12.742 -25.37284 22.44077 
1 1 1  -22    9   58 o   94.339   13.825   31.462   6.8457   17.444   10.885   40.634   8.8050   70.922   23.938  117.757   13.837 -46.83546 27.64958 
1 1 1  -22    9   59 o  182.525   11.747  100.654   11.174   71.419   15.478  132.477   16.149  151.976   18.848  213.073   14.026 -61.09709 23.49399 
1 1 1  -22    9   60 o   60.476   26.077   10.324   15.500   10.324   15.500   0.0000   0.0000   60.476   26.077  ?   ?       ?      ? 
1 1 1  -22    9   61 o   63.150   18.604   8.3261   10.755   30.991   18.089  -4.0676   13.376   80.630   30.420   45.671   21.426 34.95823 37.20831 
1 1 1  -22    9   62 o   57.211   18.135   8.7800   11.078   9.3649   19.859   8.5158   13.349   59.208   27.192   55.214   24.003 3.993996 36.27068 
1 1 1  -22   10    1 o  257.446   5.4413  179.793   7.5439  166.361   10.820  192.500   10.524  248.048   8.0725  266.843   7.2983 -18.79459 10.88253 
1 1 1  -22   10    2 o  211.851   9.2064  123.091   10.399  107.365   15.333  136.486   14.151  199.116   14.250  224.587   11.660 -25.47050 18.41280 
1 1 1  -22   10    3 o  291.236   8.3385  230.161   13.077  220.270   19.056  238.964   17.978  285.283   12.361  297.188   11.195 -11.90494 16.67703 
1 1 1  -22   10    4 o  327.169   8.3588  290.276   14.744  270.721   21.014  309.234   20.691  316.273   12.296  338.065   11.326 -21.79272 16.71756 
1 1 1  -22   10    5 o  141.989   10.396   60.361   6.4222   44.887   13.101   65.256   7.3682  128.635   18.847  155.343   8.7778 -26.70856 20.79107 
1 1 1  -22   10    6 o  535.738   10.060  776.370   29.123   0.0000   0.0000  776.370   29.123  ?   ?   535.738   10.060      ?      ? 
1 1 1  -22   10    7 o  166.511   8.2649   77.334   7.0296   82.978   8.8157   67.477   11.649  175.160   9.3140  157.862   13.656 17.29745 16.52970 
1 1 1  -22   10    8 o  687.930   8.7094  1280.57   32.371  1259.18   45.300  1302.89   46.274  682.064   12.291  693.796   12.343 -11.73187 17.41884 
1 1 1  -22   10    9 o  794.473   9.8732  1709.39   42.386  1705.69   60.066  1713.05   59.819  793.612   14.007  795.335   13.919 -1.722839 19.74644 
1 1 1  -22   10   10 o  752.855   9.4235  1533.51   38.319  1497.31   53.208  1572.52   55.230  743.642   13.241  762.069   13.412 -18.42664 18.84700 
1 1 1  -22   10   11 o  503.677   6.9057  685.790   18.789  665.258   26.204  707.518   26.956  495.922   9.7783  511.432   9.7538 -15.51077 13.81133 
1 1 1  -22   10   12 o  551.846   7.3534  823.744   21.926  809.403   30.805  838.469   31.214  546.977   10.422  556.715   10.376 -9.737915 14.70675 
1 1 1  -22   10   13 o  104.839   9.5239   29.340   5.3404   35.997   8.0533   24.116   7.1348  115.311   12.925   94.367   13.992 20.94445 19.04771 
1 1 1  -22   10   14 o  690.343   8.7717  1289.99   32.720  1288.31   46.510  1291.65   46.039  689.889   12.476  690.797   12.334 -0.9082642 17.54344 
1 1 1  -22   10   15 f  390.807   6.1018  412.785   12.864  416.998   18.787  409.066   17.651  392.674   8.8541  388.940   8.3984 3.733978 12.20359 
1 1 1  -22   10   16 o  298.824   5.7694  241.542   9.2924  240.387   13.619  242.548   12.711  298.146   8.4534  299.502   7.8539 -1.355621 11.53877 
1 1 1  -22   10   17 o  246.977   6.0342  163.683   8.0159  178.390   12.066  152.066   10.724  256.825   8.6946  237.128   8.3694 19.69615 12.06832 
1 1 1  -22   10   18 o  647.357   8.3643  1134.18   29.247  1142.94   42.043  1125.97   40.711  649.763   11.974  644.951   11.682 4.811646 16.72853 
1 1 1  -22   10   19 o  282.180   6.0173  215.038   9.1496  219.344   13.510  211.389   12.436  284.777   8.7795  279.583   8.2312 5.194061 12.03466 
1 1 1  -22   10   21 o  312.803   6.0382  264.963   10.185  259.213   14.793  270.147   14.045  309.560   8.8432  316.047   8.2240 -6.486633 12.07631 
1 1 1  -22   10   22 o  369.281   6.1322  369.025   12.221  366.654   17.701  371.184   16.895  368.135   8.8982  370.427   8.4403 -2.292023 12.26447 
1 1 1  -22   10   23 o  365.432   6.1214  361.260   12.073  362.006   17.519  360.585   16.662  365.780   8.8633  365.085   8.4457 0.6945190 12.24282 
1 1 1  -22   10   24 o  469.148   6.8035  595.666   17.246  585.915   24.338  605.502   24.442  465.286   9.6799  473.009   9.5629 -7.722778 13.60690 
1 1 1  -22   10   25 o  253.751   6.1822  174.282   8.4725  167.690   11.974  180.890   11.990  248.938   8.9017  258.564   8.5812 -9.626129 12.36436 
1 1 1  -22   10   26 o  226.589   6.3058  138.765   7.7094  142.550   11.269  135.435   10.570  229.481   9.0877  223.697   8.7444 5.784500 12.61153 
1 1 1  -22   10   27 o  444.526   6.5677  534.802   15.769  512.425   22.055  558.204   22.554  435.008   9.3827  454.044   9.1927 -19.03607 13.13550 
1 1 1  -22   10   28 o  104.477   16.554   29.709   9.3456   29.709   9.3456   0.0000   0.0000  104.477   16.554  ?   ?       ?      ? 
1 1 1  -22   10   29 o  376.236   11.967  384.009   24.330   0.0000   0.0000  384.009   24.330  ?   ?   376.236   11.967      ?      ? 
1 1 1  -22   10   30 o  259.650   8.3890  181.629   11.701  194.707   17.738  171.554   15.569  267.827   12.257  251.472   11.457 16.35431 16.77791 
1 1 1  -22   10   31 o  442.132   12.975  531.306   30.999   0.0000   0.0000  531.306   30.999  ?   ?   442.132   12.975      ?      ? 
1 1 1  -22   10   32 o  420.629   12.631  481.081   28.709   0.0000   0.0000  481.081   28.709  ?   ?   420.629   12.631      ?      ? 
1 1 1  -22   10   33 o  311.018   8.4445  263.526   14.155  253.604   20.528  272.522   19.546  305.342   12.441  316.694   11.422 -11.35147 16.88905 
1 1 1  -22   10   34 o  339.825   5.9878  313.328   10.986  303.885   15.690  322.412   15.389  334.770   8.6733  344.881   8.2576 -10.11172 11.97556 
1 1 1  -22   10   35 o  132.383   9.0756   47.621   6.4699   53.505   9.4201   42.366   8.9017  140.135   12.440  124.630   13.218 15.50436 18.15116 
1 1 1  -22   10   36 o  158.195   7.6877   68.114   6.5715   67.275   9.2711   68.961   9.3159  157.211   10.913  159.178   10.831 -1.966431 15.37549 
1 1 1  -22   10   37 o  438.461   6.5134  522.316   15.426  519.694   22.100  524.808   21.542  437.352   9.3514  439.571   9.0690 -2.219727 13.02670 
1 1 1  -22   10   38 o  124.671   8.8686   41.822   5.9296   48.338   9.0662   36.950   7.8387  133.025   12.613  116.317   12.471 16.70718 17.73721 
1 1 1  -22   10   39 o  269.903   5.9388  198.173   8.6400  194.254   12.600  201.650   11.870  267.322   8.7225  272.484   8.0619 -5.162048 11.87758 
1 1 1  -22   10   40 o   74.867   13.676   16.376   5.5734   14.564   8.4166   17.791   7.4379   71.221   20.660   78.512   17.926 -7.291336 27.35290 
1 1 1  -22   10   41 o  147.165   7.7808   58.812   6.1662   65.599   9.1370   53.135   8.3560  154.924   10.914  139.405   11.093 15.51949 15.56169 
1 1 1  -22   10   42 o   73.824   14.104   15.965   5.7855   13.852   8.5678   17.736   7.8439   69.560   21.018   78.088   18.812 -8.528320 28.20737 
1 1 1  -22   10   43 o  151.421   7.6904   62.627   6.2824   67.069   9.1864   58.723   8.6109  156.452   10.866  146.391   10.885 10.06133 15.38074 
1 1 1  -22   10   44 o  453.335   6.6372  561.929   16.256  557.978   23.165  565.762   22.818  451.706   9.4904  454.965   9.2812 -3.258972 13.27436 
1 1 1  -22   10   45 o   65.242   12.905   9.6253   5.6844   23.304   8.6275  -0.8679   7.5564   89.223   18.502   41.260   17.996 47.96327 25.81029 
1 1 1  -22   10   46 f   52.917   11.355   2.6059   5.4564 -19.1629   8.6194   17.163   7.0485   29.368   14.543   76.466   17.444 -47.09775 22.71097 
1 1 1  -22   10   47 o  176.361   7.0456   85.519   6.6719   85.813   10.018   85.285   8.9444  176.458   10.506  176.263   9.3908 0.1948853 14.09123 
1 1 1  -22   10   48 o   45.895   12.677   1.5664   5.3238  -8.1607   8.1010   8.9612   7.0633   34.888   16.462   56.901   19.283 -22.01364 25.35408 
1 1 1  -22   10   49 o   52.273   13.602   6.0066   5.5519  -1.2332   8.6633   11.052   7.2322   43.137   19.027   61.410   19.443 -18.27309 27.20394 
1 1 1  -22   10   50 o  103.401   11.507   31.067   6.1589   30.377   9.5784   31.553   8.0418  101.080   18.206  105.722   14.077 -4.642349 23.01325 
1 1 1  -22   10   51 o  114.467   11.547   41.477   6.2683   26.721   9.9407   51.216   8.0763   93.295   20.296  135.639   11.019 -42.34420 23.09408 
1 1 1  -22   10   52 o  196.501   7.0768  107.517   7.4726  103.405   11.032  111.003   10.158  192.702   10.595  200.299   9.3847 -7.596741 14.15357 
1 1 1  -22   10   53 o  252.876   6.3187  177.331   8.6097  167.696   12.411  186.270   11.954  245.968   9.3377  259.785   8.5154 -13.81645 12.63745 
1 1 1  -22   10   54 o  142.666   9.1848   58.166   7.0085   54.161   10.438   61.454   9.4574  137.586   14.040  147.747   11.846 -10.16096 18.36952 
1 1 1  -22   10   55 o   69.080   20.288   15.162   8.0717   0.0000   0.0000   15.162   8.0717  ?   ?    69.080   20.288      ?      ? 
1 1 1  -22   10   56 o  109.392   12.617   38.524   6.7470   28.244   10.758   45.188   8.6622   93.105   21.772  125.679   12.755 -32.57439 25.23316 
1 1 1  -22   10   57 f   40.677   13.209  -3.3552   6.5950  -5.2149   10.152  -1.9975   8.6747   40.787   18.980   40.566   18.376 0.2207222 26.41834 
1 1 1  -22   10   58 o   98.492   18.018   36.195   10.026   25.450   15.825   43.401   12.959   81.925   28.816  115.060   21.637 -33.13525 36.03530 
1 1 1  -22   10   59 o  126.502   16.161   53.523   10.681   65.225   15.452   42.815   14.781  143.246   19.963  109.757   25.421 33.48865 32.32243 
1 1 1  -22   10   60 o   93.543   15.440   35.174   11.317  -4.4279   17.139   65.788   15.069   49.001   23.359  138.086   20.196 -89.08455 30.87905 
1 1 1  -22   10   61 o  130.070   16.716   60.911   10.989   59.077   17.870   62.027   13.936  122.018   27.733  138.123   18.672 -16.10540 33.43242 
1 1 1  -22   10   62 f   48.527   14.460   4.2702   7.3518  -8.4026   11.725   12.480   9.4374   39.161   18.841   57.893   21.941 -18.73235 28.92029 
1 1 1  -22   11    1 o  485.425   9.9383  633.900   25.980  583.333   35.058  695.495   38.692  464.102   13.979  506.747   14.130 -42.64481 19.87670 
1 1 1  -22   11    2 o  822.479   14.574  1836.70   64.765  1809.23   90.671  1865.31   92.541  816.213   20.558  828.745   20.664 -12.53156 29.14859 
1 1 1  -22   11    3 o  196.089   8.1277  101.474   8.1200   96.673   9.8415  111.712   14.371  189.051   9.6337  203.127   13.093 -14.07602 16.25545 
1 1 1  -22   11    4 o  262.379   5.6964  186.557   8.0572  173.615   11.481  199.118   11.310  253.384   8.3850  271.375   7.7129 -17.99063 11.39288 
1 1 1  -22   11    5 o  440.303   6.4570  524.410   15.351  522.054   22.116  526.601   21.325  439.339   9.3159  441.266   8.9435 -1.927338 12.91399 
1 1 1  -22   11    6 o  516.537   8.8375  713.995   22.604  742.793   41.669  701.987   26.908  523.643   14.726  509.430   9.7747 14.21353 17.67495 
1 1 1  -22   11    7 o  315.210   7.1762  260.665   11.493  246.212   13.869  292.342   20.532  301.743   8.5057  328.676   11.561 -26.93320 14.35244 
1 1 1  -22   11    8 f  584.362   9.4928  912.675   27.947  892.369   33.696  957.432   50.026  574.299   10.858  594.426   15.574 -20.12677 18.98570 
1 1 1  -22   11    9 o  293.089   5.7566  232.268   9.0992  232.367   13.291  232.180   12.483  293.141   8.3909  293.038   7.8833 0.1033936 11.51318 
1 1 1  -22   11   10 o  566.027   7.5704  865.106   23.130  829.430   31.833  905.011   33.667  553.693   10.639  578.361   10.772 -24.66766 15.14080 
1 1 1  -22   11   11 o  111.837   9.4348   33.569   5.6754   37.143   8.5373   30.739   7.5971  117.121   13.490  106.553   13.195 10.56790 18.86969 
1 1 1  -22   11   12 o  404.525   6.2171  442.697   13.585  432.297   19.297  452.917   19.130  399.807   8.9320  409.243   8.6504 -9.436188 12.43419 
1 1 1  -22   11   13 o  262.101   8.0191  185.760   11.357   0.0000   0.0000  185.760   11.357  ?   ?   262.101   8.0191      ?      ? 
1 1 1  -22   11   14 o  414.874   6.3625  465.842   14.251  456.960   20.465  474.204   19.857  411.022   9.2144  418.727   8.7761 -7.705688 12.72495 
1 1 1  -22   11   15 o  362.429   6.0920  355.408   11.921  351.158   17.149  359.382   16.584  360.323   8.8074  364.535   8.4191 -4.211334 12.18409 
1 1 1  -22   11   16 o  418.759   6.4397  474.461   14.556  471.504   21.052  477.168   20.148  417.497   9.3314  420.021   8.8772 -2.523895 12.87943 
1 1 1  -22   11   17 o  308.575   8.9113  257.543   14.859  257.543   14.859   0.0000   0.0000  308.575   8.9113  ?   ?       ?      ? 
1 1 1  -22   11   18 o  271.860   6.1810  200.677   9.0366  179.274   12.845  221.647   12.715  257.436   9.2340  286.284   8.2192 -28.84717 12.36209 
1 1 1  -22   11   19 o  161.175   7.9674   70.191   6.9071   71.641   10.320   69.015   9.2961  162.667   11.741  159.684   10.773 2.982208 15.93476 
1 1 1  -22   11   20 o  372.270   6.1676  375.268   12.391  366.560   17.853  383.363   17.212  368.084   8.9756  376.455   8.4612 -8.370758 12.33510 
1 1 1  -22   11   21 o  183.171   11.116   90.853   11.002   90.853   11.002   0.0000   0.0000  183.171   11.116  ?   ?       ?      ? 
1 1 1  -22   11   22 o  556.834   7.5309  839.462   22.659  827.615   31.996  851.382   32.093  552.886   10.709  560.781   10.591 -7.895264 15.06187 
1 1 1  -22   11   23 o  184.760   7.4740   93.040   7.3961   86.937   10.999   98.077   9.9925  179.162   11.361  190.357   9.7144 -11.19553 14.94805 
1 1 1  -22   11   24 o  149.191   12.569   60.340   10.133   60.340   10.133   0.0000   0.0000  149.191   12.569  ?   ?       ?      ? 
1 1 1  -22   11   25 o  105.752   11.739   32.359   6.2354   22.605   9.2470   40.493   8.4441   89.328   19.687  122.176   12.790 -32.84730 23.47727 
1 1 1  -22   11   26 o  292.417   6.0498  231.449   9.5328  231.773   14.019  231.170   13.002  292.586   8.8668  292.247   8.2330 0.3395996 12.09966 
1 1 1  -22   11   27 o  285.496   6.2639  220.747   9.6578  211.297   13.622  230.298   13.695  279.340   9.0243  291.653   8.6896 -12.31323 12.52786 
1 1 1  -22   11   28 o  179.902   9.9741   88.631   9.6201   78.829   13.931   97.568   13.301  170.240   15.143  189.564   12.985 -19.32370 19.94812 
1 1 1  -22   11   29 f  294.414   8.3465  235.316   13.246  234.234   19.399  236.261   18.131  293.733   12.222  295.096   11.370 -1.363373 16.69304 
1 1 1  -22   11   30 o  560.381   15.162  855.631   45.912   0.0000   0.0000  855.631   45.912  ?   ?   560.381   15.162      ?      ? 
1 1 1  -22   11   31 o  183.221   10.824   91.961   10.367   90.000   16.860   93.153   13.146  181.415   17.199  185.027   13.148 -3.612061 21.64852 
1 1 1  -22   11   32 o  306.055   8.6450  255.130   14.275  245.495   20.506  264.189   19.884  300.372   12.634  311.737   11.804 -11.36569 17.29000 
1 1 1  -22   11   33 o  218.549   6.5577  129.017   7.6391  133.008   11.900  126.221   9.9627  221.342   9.9495  215.757   8.5453 5.585144 13.11546 
1 1 1  -22   11   34 o  230.559   6.4480  144.620   8.0144  136.552   11.503  152.231   11.172  224.251   9.4931  236.867   8.7285 -12.61574 12.89592 
1 1 1  -22   11   35 o  258.940   6.0782  181.816   8.4935  185.457   12.384  178.582   11.671  261.361   8.7687  256.520   8.4196 4.841492 12.15646 
1 1 1  -22   11   36 o  234.808   6.1591  148.896   7.7467  155.514   11.867  143.981   10.226  239.268   9.1783  230.348   8.2156 8.920181 12.31821 
1 1 1  -22   11   37 o  190.668   6.6431   98.330   6.8081  103.469   10.266   94.295   9.0962  195.049   9.7400  186.286   9.0363 8.762451 13.28615 
1 1 1  -22   11   38 o  153.364   7.8301   65.610   6.3324   55.451   9.5744   73.509   8.4427  142.377   12.445  164.351   9.5065 -21.97369 15.66026 
1 1 1  -22   11   39 o  324.344   5.9194  286.295   10.364  278.582   14.863  293.596   14.460  320.033   8.5944  328.656   8.1420 -8.622894 11.83870 
1 1 1  -22   11   40 o  187.571   6.9956   96.381   7.0412   91.853   10.447  100.150   9.5314  183.397   10.542  191.744   9.1992 -8.347656 13.99110 
1 1 1  -22   11   41 o   77.416   13.772   17.703   5.7545   15.230   8.8154   19.540   7.5962   72.578   21.170   82.254   17.621 -9.676247 27.54390 
1 1 1  -22   11   42 o  142.238   8.2226   56.064   6.2455   51.185   9.3155   60.048   8.4176  136.359   12.643  148.117   10.517 -11.75810 16.44518 
1 1 1  -22   11   43 o  172.393   7.1791   82.502   6.5597   74.781   10.024   88.285   8.6751  164.977   11.244  179.808   8.9284 -14.83182 14.35811 
1 1 1  -22   11   44 o  110.719   9.9275   33.656   5.8994   37.558   9.0053   30.723   7.8083  116.210   14.341  105.228   13.732 10.98112 19.85495 
1 1 1  -22   11   45 o   35.612   11.669  -6.2685   5.4422 -12.1429   8.6888  -2.4762   6.9811   33.718   16.221   37.506   16.779 -3.788174 23.33781 
1 1 1  -22   11   46 o  213.788   6.4796  126.533   7.3879  116.442   11.109  134.535   9.8925  205.774   9.9908  221.801   8.2538 -16.02687 12.95926 
1 1 1  -22   11   47 o   68.957   14.342   13.642   5.6961   17.984   8.8612   10.585   7.4359   77.120   20.791   60.794   19.762 16.32632 28.68447 
1 1 1  -22   11   48 o  199.097   6.5911  108.882   7.0529  110.948   10.576  107.228   9.4647  200.622   9.7560  197.572   8.8653 3.049484 13.18224 
1 1 1  -22   11   49 o  112.365   10.146   35.984   6.0896   33.090   9.0755   38.353   8.2129  107.776   15.583  116.953   12.996 -9.177361 20.29104 
1 1 1  -22   11   50 o  258.380   6.1589  184.087   8.5410  180.216   12.764  187.225   11.493  255.621   9.2409  261.139   8.1447 -5.518051 12.31784 
1 1 1  -22   11   51 o  140.154   8.6581   54.379   6.4984   61.449   10.046   49.293   8.5212  147.718   12.586  132.591   11.893 15.12680 17.31618 
1 1 1  -22   11   52 o   81.581   13.755   20.622   5.9416   20.703   9.0287   20.561   7.8911   81.185   20.559   81.977   18.280 -0.7913132 27.51057 
1 1 1  -22   11   53 o  268.583   6.3193  199.538   9.1313  199.372   13.551  199.676   12.358  268.186   9.3509  268.981   8.5025 -0.7949524 12.63850 
1 1 1  -22   11   54 o  175.570   7.5079   85.761   7.0851   92.276   10.707   80.687   9.4498  181.271   10.931  169.869   10.295 11.40141 15.01574 
1 1 1  -22   11   55 o   50.254   14.581   4.3858   6.3373   7.1350   9.5005   2.1819   8.5062   54.609   21.643   45.900   19.544 8.708813 29.16121 
1 1 1  -22   11   56 o  140.149   9.0237   56.528   6.7442   58.117   10.456   55.397   8.8253  141.128   13.711  139.170   11.735 1.957855 18.04749 
1 1 1  -22   11   57 o   59.137   15.980   10.036   7.8415  -3.4730   14.523   15.594   9.3160   50.009   23.072   68.264   22.115 -18.25486 31.95925 
1 1 1  -22   11   59 o  130.582   17.996   55.313   12.699   55.313   12.699   0.0000   0.0000  130.582   17.996  ?   ?       ?      ? 
1 1 1  -22   11   60 o   52.873   16.728   3.9689   9.8566   1.3705   14.635   6.1261   13.335   51.493   23.535   54.252   23.778 -2.759521 33.45611 
1 1 1  -22   11   61 o   54.503   16.737   7.7266   9.1485   13.892   13.899   3.0135   12.152   60.450   25.321   48.556   21.895 11.89382 33.47425 
1 1 1  -22   12    1 o  546.271   10.778  806.207   31.769  761.712   43.562  856.757   46.431  530.221   15.204  562.321   15.280 -32.09991 21.55587 
1 1 1  -22   12    2 o  371.780   6.1823  371.156   12.375  335.592   16.737  414.052   18.381  352.268   8.7925  391.291   8.6933 -39.02231 12.36452 
1 1 1  -22   12    3 o  227.667   8.4782  140.164   10.430   0.0000   0.0000  140.164   10.430  ?   ?   227.667   8.4782      ?      ? 
1 1 1  -22   12    4 o  809.054   10.127  1772.34   44.264  1742.14   61.872  1804.00   63.352  802.003   14.277  816.104   14.366 -14.10046 20.25339 
1 1 1  -22   12    5 o  295.771   5.9733  237.184   9.5172  217.347   13.534  256.593   13.386  283.492   8.8346  308.050   8.0417 -24.55835 11.94652 
1 1 1  -22   12    6 o  258.315   8.1229  181.112   9.8853  179.482   19.521  181.674   11.464  257.427   14.033  259.202   8.1847 -1.774170 16.24582 
1 1 1  -22   12    7 o  316.734   7.8940  269.708   11.924  275.225   23.278  267.745   13.884  318.801   13.513  314.667   8.1654 4.134094 15.78807 
1 1 1  -22   12    8 o  293.716   7.3752  234.561   11.228  237.572   14.069  229.279   18.636  296.384   8.7846  291.047   11.849 5.336121 14.75041 
1 1 1  -22   12    9 o  286.953   7.4286  222.654   10.983  222.326   13.611  223.266   18.594  286.712   8.7850  287.193   11.982 -0.4808655 14.85712 
1 1 1  -22   12   10 o  435.180   6.5816  512.489   15.469  504.155   22.128  520.453   21.633  431.710   9.4857  438.651   9.1265 -6.941803 13.16326 
1 1 1  -22   12   11 o  367.864   6.1868  365.151   12.256  375.858   18.208  356.281   16.573  372.770   9.0391  362.958   8.4499 9.812256 12.37358 
1 1 1  -22   12   12 o  566.856   10.688  869.533   32.737   0.0000   0.0000  869.533   32.737  ?   ?   566.856   10.688      ?      ? 
1 1 1  -22   12   13 o  588.138   7.8649  936.168   24.993  918.111   35.261  954.397   35.430  582.431   11.204  593.844   11.041 -11.41278 15.72983 
1 1 1  -22   12   14 o  577.089   7.7701  900.568   24.220  874.119   33.690  928.860   34.845  568.328   10.970  585.850   11.007 -17.52197 15.54016 
1 1 1  -22   12   15 o  589.599   7.9012  940.683   25.170  919.846   35.344  962.124   35.853  582.972   11.220  596.227   11.128 -13.25507 15.80238 
1 1 1  -22   12   16 o  348.015   6.2104  327.205   11.658  333.908   17.077  321.354   15.955  351.339   8.9947  344.690   8.5658 6.648926 12.42086 
1 1 1  -22   12   17 o  461.694   9.4562  576.760   23.592   0.0000   0.0000  576.760   23.592  ?   ?   461.694   9.4562      ?      ? 
1 1 1  -22   12   18 o  598.618   7.9576  970.174   25.738  950.094   36.164  990.783   36.638  592.337   11.298  604.898   11.209 -12.56158 15.91511 
1 1 1  -22   12   19 o  275.501   6.2168  205.903   9.2239  197.322   13.435  213.555   12.686  270.037   9.2073  280.964   8.3559 -10.92667 12.43362 
1 1 1  -22   12   20 o  416.861   9.0560  470.201   20.399   0.0000   0.0000  470.201   20.399  ?   ?   416.861   9.0560      ?      ? 
1 1 1  -22   12   21 o  135.340   9.3326   48.980   6.7787   56.838   10.287   42.951   9.0118  144.805   13.147  125.875   13.249 18.92975 18.66512 
1 1 1  -22   12   22 o  158.128   8.2165   66.292   6.8390   91.215   10.473   47.762   9.0304  183.523   10.561  132.734   12.590 50.78891 16.43292 
1 1 1  -22   12   23 o  202.156   6.8988  111.461   7.4604  104.213   11.157  117.322   10.033  196.132   10.528  208.181   8.9189 -12.04944 13.79767 
1 1 1  -22   12   24 o  511.261   7.1752  707.709   19.802  716.775   28.747  699.523   27.316  514.348   10.343  508.174   9.9477 6.174530 14.35049 
1 1 1  -22   12   25 o  321.326   6.1123  279.157   10.577  283.905   15.673  275.186   14.333  323.807   8.9573  318.844   8.3191 4.963715 12.22464 
1 1 1  -22   12   26 o  193.029   8.8913  101.250   9.0696  101.732   11.682  100.518   14.390  193.700   11.161  192.358   13.844 1.342346 17.78257 
1 1 1  -22   12   27 o  284.633   8.5765  219.815   13.184  221.824   19.004  217.950   18.304  285.868   12.303  283.398   11.953 2.470276 17.15294 
1 1 1  -22   12   28 o  168.113   10.315   75.840   9.3026   89.054   14.108   65.676   12.373  180.900   14.433  155.327   14.742 25.57307 20.63077 
1 1 1  -22   12   29 o  344.307   8.4373  321.180   15.698   0.0000   0.0000  321.180   15.698  ?   ?   344.307   8.4373      ?      ? 
1 1 1  -22   12   30 o  320.431   8.7069  279.813   15.010  248.649   21.142  311.487   21.314  302.293   12.943  338.568   11.650 -36.27451 17.41382 
1 1 1  -22   12   31 o  430.335   9.3674  504.653   21.755  498.423   31.462  510.360   30.114  427.693   13.613  432.978   12.871 -5.284760 18.73487 
1 1 1  -22   12   32 o   72.543   14.609   14.503   6.0681   18.937   9.0679   10.907   8.1660   81.302   20.612   63.784   20.709 17.51809 29.21808 
1 1 1  -22   12   33 o  335.764   6.0645  306.284   10.989  293.721   15.712  318.315   15.375  328.971   8.8387  342.557   8.3060 -13.58627 12.12898 
1 1 1  -22   12   34 o  156.862   7.8054   66.890   6.5725   67.929   9.9119   66.074   8.7804  157.882   11.618  155.842   10.427 2.040512 15.61076 
1 1 1  -22   12   35 o  117.137   9.8289   38.621   6.0045   32.475   9.3470   42.940   7.8350  108.748   15.906  125.527   11.551 -16.77845 19.65776 
1 1 1  -22   12   36 o  101.849   11.059   28.379   6.0346   29.549   9.2261   27.504   7.9779  103.578   16.484  100.120   14.746 3.458237 22.11720 
1 1 1  -22   12   37 o  306.703   5.9725  255.276   9.8778  261.011   14.509  250.322   13.485  309.862   8.6654  303.544   8.2216 6.318268 11.94503 
1 1 1  -22   12   38 o   84.271   12.871   20.313   5.6300   21.581   8.7275   19.410   7.3681   86.328   19.205   82.215   17.140 4.112595 25.74131 
1 1 1  -22   12   39 o   65.346   14.228   12.165   5.5003   10.295   8.8049   13.362   7.0437   62.620   21.525   68.072   18.614 -5.452606 28.45670 
1 1 1  -22   12   40 o  127.982   9.1853   46.456   6.1417   35.283   9.0723   55.910   8.3447  112.980   14.860  142.983   10.800 -30.00335 18.37058 
1 1 1  -22   12   41 o  171.205   7.1810   80.466   6.5860   77.635   9.8873   82.723   8.8302  168.338   10.869  174.073   9.3875 -5.734818 14.36210 
1 1 1  -22   12   42 o  403.050   6.3339  442.873   13.761  453.938   20.281  433.433   18.733  407.586   9.2086  398.514   8.6991 9.071503 12.66777 
1 1 1  -22   12   43 o  161.464   7.6743   71.934   6.6574   68.005   9.7834   75.322   9.0853  157.172   11.519  165.757   10.143 -8.585632 15.34865 
1 1 1  -22   12   44 o  160.288   7.5220   69.955   6.4507   75.317   9.9781   66.104   8.4551  165.374   11.166  155.202   10.082 10.17256 15.04393 
1 1 1  -22   12   45 o  160.708   7.3651   71.762   6.3020   66.780   9.5688   75.579   8.3749  155.440   11.392  165.976   9.3378 -10.53600 14.73017 
1 1 1  -22   12   46 f   52.896   14.293   5.7983   5.6760   8.7185   8.7527   3.6791   7.4563   58.394   21.319   47.397   19.043 10.99659 28.58597 
1 1 1  -22   12   47 o  278.690   6.0661  212.224   9.0887  221.355   13.669  204.988   12.169  283.875   8.9106  273.506   8.2335 10.36838 12.13214 
1 1 1  -22   12   48 o  127.452   9.3435   46.685   6.2539   39.237   9.5127   52.355   8.2995  117.605   14.969  137.300   11.187 -19.69474 18.68704 
1 1 1  -22   12   49 o   56.889   14.491   7.6697   5.8713   13.327   8.9158   3.3377   7.8017   66.644   21.639   47.135   19.280 19.50903 28.98171 
1 1 1  -22   12   50 o  189.908   7.1684  100.519   7.3115   95.124   10.763  105.143   9.9636  184.829   10.776  194.986   9.4563 -10.15720 14.33679 
1 1 1  -22   12   51 f   97.398   12.212   29.198   6.0501   22.913   9.2674   33.867   7.9870   85.672   20.325  109.123   13.545 -23.45108 24.42489 
1 1 1  -22   12   52 o   68.734   12.950   10.592   6.0385   29.167   9.5786  -1.6589   7.7789   97.632   18.839   39.837   17.774 57.79512 25.90011 
1 1 1  -22   12   53 o  179.415   7.5951   90.458   7.2744   87.955   11.086   92.351   9.6402  176.696   11.610  182.135   9.7950 -5.439819 15.19022 
1 1 1  -22   12   54 o  115.688   10.683   39.070   6.6019   38.975   10.089   39.141   8.7303  114.889   16.252  116.486   13.870 -1.596275 21.36565 
1 1 1  -22   12   55 o   92.281   13.181   26.598   6.3278   29.753   9.4398   24.024   8.5273   97.348   18.624   87.215   18.658 10.13325 26.36234 
1 1 1  -22   12   56 o   40.082   13.549  -7.8288   7.0606  -7.8356   14.000  -7.8265   8.1766   46.040   21.699   34.123   16.230 11.91682 27.09735 
1 1 1  -22   12   57 o  358.708   10.590  240.740   16.292  706.757   41.192  154.324   17.738  487.781   15.628  229.635   14.295 258.1465 21.17950 
1 1 1  -22   12   58 o  107.416   27.959   45.293   16.386   45.293   16.386   0.0000   0.0000  107.416   27.959  ?   ?       ?      ? 
1 1 1  -22   12   59 o   88.628   17.454   29.986   9.6704   49.099   14.514   14.727   12.968  114.519   24.212   62.737   25.147 51.78182 34.90808 
1 1 1  -22   12   60 o  133.829   13.961   59.830   10.032   65.923   15.269   55.203   13.307  138.954   20.336  128.704   19.134 10.25024 27.92215 
1 1 1  -22   13    1 o  444.889   6.6781  535.549   16.048  530.262   22.956  540.603   22.444  442.732   9.5954  447.046   9.2908 -4.313782 13.35627 
1 1 1  -22   13    2 o  251.418   6.3380  170.647   8.6003  177.466   12.546  164.603   11.812  256.143   9.0645  246.692   8.8610 9.451416 12.67608 
1 1 1  -22   13    3 o  493.248   7.1037  657.889   18.927  633.998   26.451  682.957   27.094  484.071   10.112  502.424   9.9797 -18.35248 14.20731 
1 1 1  -22   13    4 f  277.175   8.5671  207.780   12.831   0.0000   0.0000  207.780   12.831  ?   ?   277.175   8.5671      ?      ? 
1 1 1  -22   13    5 f  311.304   8.4829  262.094   14.270   0.0000   0.0000  262.094   14.270  ?   ?   311.304   8.4829      ?      ? 
1 1 1  -22   13    6 o  525.740   7.2985  747.278   20.726  720.706   28.860  775.576   29.783  516.095   10.348  535.385   10.295 -19.28979 14.59694 
1 1 1  -22   13    7 o  209.078   9.6454  123.243   9.2614  109.189   18.433  127.989   10.712  200.632   17.003  217.525   9.1129 -16.89328 19.29080 
1 1 1  -22   13    8 o  188.262   9.5757   84.036   8.5187  121.892   18.068   73.215   9.6597  212.041   15.769  164.483   10.868 47.55846 19.15138 
1 1 1  -22   13    9 o  197.473   8.8580  103.266   9.0430   98.033   11.131  113.423   15.508  190.331   10.823  204.616   14.026 -14.28488 17.71598 
1 1 1  -22   13   10 o  237.535   8.1757  151.795   10.082  149.431   12.570  156.059   16.883  235.017   9.8979  240.054   13.015 -5.037231 16.35139 
1 1 1  -22   13   11 f  417.562   6.5687  471.150   14.789  479.043   21.720  464.327   20.194  420.805   9.5518  414.319   9.0197 6.485229 13.13738 
1 1 1  -22   13   12 o  703.950   9.0453  1341.39   34.399  1311.27   47.996  1373.21   49.326  695.831   12.765  712.070   12.819 -16.23877 18.09068 
1 1 1  -22   13   13 o  531.359   7.3620  764.229   21.135  756.267   30.061  772.012   29.721  528.612   10.524  534.106   10.298 -5.493591 14.72393 
1 1 1  -22   13   14 o  247.751   6.5592  166.350   8.7278  163.504   13.024  168.670   11.759  245.803   9.8052  249.699   8.7149 -3.895309 13.11835 
1 1 1  -22   13   15 o  120.463   10.692   39.869   6.8669   33.530   9.9370   45.664   9.5002  111.132   16.547  129.794   13.545 -18.66197 21.38434 
1 1 1  -22   13   16 o  516.426   7.2820  722.086   20.310  717.673   29.156  726.247   28.309  514.875   10.480  517.977   10.114 -3.101990 14.56410 
1 1 1  -22   13   17 o  729.679   9.3095  1442.42   36.698  1413.70   51.232  1472.69   52.593  722.229   13.127  737.129   13.204 -14.90057 18.61901 
1 1 1  -22   13   18 o  266.870   6.2718  193.221   9.0135  185.117   13.132  200.438   12.394  261.547   9.2920  272.194   8.4262 -10.64664 12.54355 
1 1 1  -22   13   19 o  163.805   8.2480   72.624   7.2877   73.765   10.664   71.625   9.9822  165.000   11.961  162.611   11.360 2.389542 16.49601 
1 1 1  -22   13   20 o  581.754   7.8469  916.667   24.652  923.617   35.550  910.229   34.216  583.853   11.268  579.655   10.924 4.197937 15.69372 
1 1 1  -22   13   21 f  665.295   8.6685  1200.34   31.162  1184.23   44.005  1216.55   44.135  660.803   12.324  669.787   12.194 -8.983704 17.33706 
1 1 1  -22   13   22 o   90.465   14.006   22.717   6.6253   27.667   10.160   19.055   8.7392   98.991   19.686   81.939   19.929 17.05216 28.01256 
1 1 1  -22   13   23 o  193.732   7.2963   99.800   7.5520  114.552   11.815   89.611   9.8197  205.593   10.635  181.872   9.9919 23.72087 14.59261 
1 1 1  -22   13   24 o  234.494   7.9370  148.791   9.8288  147.664   12.605  150.540   15.699  233.450   9.9921  235.539   12.335 -2.088867 15.87398 
1 1 1  -22   13   25 o  266.436   8.7622  193.576   12.551  173.739   17.935  212.613   17.569  252.923   13.123  279.949   11.614 -27.02618 17.52435 
1 1 1  -22   13   26 o  694.850   12.728  1318.22   47.783  1293.02   66.818  1344.59   68.359  688.068   17.971  701.632   18.030 -13.56396 25.45671 
1 1 1  -22   13   27 o  298.777   8.7207  242.617   14.056  241.667   20.450  243.468   19.353  298.172   12.692  299.382   11.963 -1.210236 17.44132 
1 1 1  -22   13   28 o  139.343   14.124   58.532   7.9101   47.207   17.437   61.466   8.8759  128.226   26.054  150.461   10.917 -22.23491 28.24885 
1 1 1  -22   13   29 o  163.787   11.583   73.848   10.170   68.063   14.970   78.806   13.860  157.643   17.573  169.930   15.094 -12.28679 23.16523 
1 1 1  -22   13   30 f  259.765   9.0818  182.366   12.650  194.595   19.352  173.243   16.715  267.220   13.402  252.310   12.260 14.90947 18.16364 
1 1 1  -22   13   31 o  294.211   6.1809  234.992   9.7919  232.849   14.431  236.822   13.330  292.913   9.1174  295.508   8.3478 -2.594666 12.36177 
1 1 1  -22   13   32 o  327.922   6.1048  292.329   10.800  279.130   15.469  304.883   15.086  320.637   8.9280  335.208   8.3284 -14.57126 12.20954 
1 1 1  -22   13   33 o  196.722   6.8793  104.228   7.2562  112.717   11.120   97.934   9.5756  203.586   10.108  189.858   9.3336 13.72850 13.75857 
1 1 1  -22   13   34 o   42.424   13.088  -1.4504   5.6891  -4.8667   8.9229   0.8897   7.3848   41.045   18.611   43.803   18.408 -2.758305 26.17681 
1 1 1  -22   13   35 o  124.882   9.6483   43.942   6.3206   34.805   9.4256   51.407   8.5202  112.498   15.505  137.266   11.487 -24.76795 19.29665 
1 1 1  -22   13   36 o   44.029   13.443  -0.7440   5.9102  -4.7272   9.2595   1.9945   7.6775   41.970   19.001   46.089   19.020 -4.118889 26.88530 
1 1 1  -22   13   37 o  208.161   6.4604  116.456   7.1855  127.944   11.207  108.437   9.3633  216.687   9.5714  199.636   8.6797 17.05101 12.92083 
1 1 1  -22   13   38 o  177.811   7.2514   85.882   6.9157   89.710   10.530   82.977   9.1711  181.188   10.755  174.435   9.7298 6.753082 14.50282 
1 1 1  -22   13   39 o  232.930   6.3055  149.345   7.8356  136.152   11.733  159.965   10.527  223.366   9.7210  242.495   8.0337 -19.12874 12.61102 
1 1 1  -22   13   40 o  185.739   6.9788   94.270   6.9762   94.748   10.350   93.871   9.4436  186.076   10.294  185.402   9.4261 0.6735077 13.95757 
1 1 1  -22   13   41 o  232.618   6.2723  148.289   7.8309  142.567   11.641  153.018   10.583  228.344   9.4347  236.892   8.2675 -8.548584 12.54454 
1 1 1  -22   13   42 o  191.931   6.9826  102.180   7.1049   93.397   10.882  108.706   9.3800  184.356   10.924  199.506   8.7008 -15.14975 13.96527 
1 1 1  -22   13   43 o  143.142   8.3987   57.268   6.3175   53.317   9.9795   59.910   8.1610  138.573   13.327  147.711   10.224 -9.138199 16.79748 
1 1 1  -22   13   44 o  120.484   9.4643   39.820   6.0133   43.421   9.7856   37.635   7.6222  124.453   14.551  116.516   12.106 7.936378 18.92866 
1 1 1  -22   13   45 o  137.569   8.4921   52.837   6.2353   50.243   9.4476   54.839   8.2997  134.239   13.024  140.900   10.901 -6.660706 16.98417 
1 1 1  -22   13   46 o   66.024   14.308   13.073   5.8092   8.3081   8.7781   16.786   7.7488   57.420   21.285   74.628   19.127 -17.20773 28.61608 
1 1 1  -22   13   47 o   87.000   13.077   22.963   6.1092   15.237   8.7600   30.278   8.5244   70.794   21.222  103.207   15.285 -32.41288 26.15310 
1 1 1  -22   13   48 o   58.651   15.015   8.8421   6.1122   12.118   9.3811   6.4259   8.0570   64.558   22.216   52.743   20.205 11.81533 30.02987 
1 1 1  -22   13   49 o   82.576   14.058   21.705   6.2402   16.571   9.6666   25.373   8.1707   72.847   22.389   92.305   17.008 -19.45728 28.11650 
1 1 1  -22   13   50 o  193.277   7.3187  105.450   7.5144   93.537   11.284  114.942   10.073  182.703   11.429  203.850   9.1444 -21.14642 14.63740 
1 1 1  -22   13   51 o  155.551   8.6113   70.287   6.9777   58.027   10.762   79.179   9.1651  142.444   13.982  168.657   10.056 -26.21294 17.22269 
1 1 1  -22   13   52 f  151.561   8.9832   66.552   7.1444   57.608   11.007   73.064   9.3917  141.549   14.390  161.574   10.757 -20.02521 17.96636 
1 1 1  -22   13   53 o   60.333   15.378   10.032   6.5106   15.353   9.9286   6.0181   8.6234   68.960   22.856   51.706   20.580 17.25423 30.75590 
1 1 1  -22   13   54 o  238.990   6.7528  159.730   8.6314  159.230   13.154  160.108   11.439  238.074   10.225  239.905   8.8235 -1.830505 13.50551 
1 1 1  -22   13   55 o  108.213   12.429   35.140   6.9782   46.113   10.951   27.639   9.0542  123.378   16.427   93.047   18.657 30.33144 24.85810 
1 1 1  -22   13   56 o   67.672   18.927   14.119   10.815   4.6014   17.072   20.498   13.977   59.684   26.498   75.660   27.031 -15.97585 37.85299 
1 1 1  -22   13   57 o   43.026   14.501 -13.9751   9.9231 -31.7342   15.370  -1.2833   12.994   37.168   18.569   48.884   22.279 -11.71598 29.00257 
1 1 1  -22   13   58 o   52.873   16.676   5.8870   9.6575   4.3874   14.771   7.0068   12.764   52.526   23.867   53.219   23.296 -0.6929398 33.35134 
1 1 1  -22   13   59 o   39.381   13.617 -18.0460   9.7068  -7.7072   13.730 -28.3784   13.725   44.053   20.975   34.709   17.371 9.343597 27.23412 
1 1 1  -22   13   60 o   60.886   16.713   6.2251   8.0173   33.491   15.159  -4.3623   9.4464   83.820   28.250   37.952   17.868 45.86734 33.42648 
1 1 1  -22   14    1 o  297.157   8.6291  238.842   13.856   0.0000   0.0000  238.842   13.856  ?   ?   297.157   8.6291      ?      ? 
1 1 1  -22   14    2 o  587.419   7.9514  934.084   25.235  931.253   36.001  936.817   35.382  586.532   11.359  588.304   11.130 -1.771851 15.90286 
1 1 1  -22   14    3 o  472.625   6.9673  604.270   17.790  586.197   24.987  622.848   25.334  465.454   9.9345  479.796   9.7714 -14.34177 13.93467 
1 1 1  -22   14    4 o   94.821   13.277   24.631   6.6486   33.660   9.9066   17.232   8.9684  111.393   16.458   78.249   20.838 33.14329 26.55383 
1 1 1  -22   14    5 o  328.292   6.2687  291.595   11.091  290.687   16.276  292.382   15.154  327.800   9.1884  328.783   8.5299 -0.9828186 12.53734 
1 1 1  -22   14    6 o  286.327   6.3460  220.410   9.7824  237.717   14.623  206.392   13.161  296.432   9.1292  276.223   8.8172 20.20892 12.69195 
1 1 1  -22   14    7 o  209.789   7.1555  120.629   8.0065  105.459   11.800  133.573   10.900  197.376   11.063  222.202   9.0776 -24.82584 14.31093 
1 1 1  -22   14    8 o  113.023   15.961   35.139   8.0142   36.059   17.198   34.883   9.0577  112.621   28.296  113.425   14.778 -0.8044434 31.92234 
1 1 1  -22   14    9 o   76.002   17.009   16.680   7.8098   1.8885   16.911   20.690   8.8050   66.452   27.887   85.551   19.483 -19.09943 34.01862 
1 1 1  -22   14   10 o  211.048   8.8251  118.616   9.5914  114.161   11.783  127.365   16.512  205.354   10.619  216.742   14.099 -11.38789 17.65018 
1 1 1  -22   14   11 o  289.924   7.8733  229.279   11.708  233.049   14.505  222.230   19.835  293.474   9.1464  286.374   12.818 7.099701 15.74663 
1 1 1  -22   14   12 o  159.384   11.316   68.795   9.7463   0.0000   0.0000   68.795   9.7463  ?   ?   159.384   11.316      ?      ? 
1 1 1  -22   14   13 o  189.732   7.5970   96.660   7.7560  107.149   11.622   88.238   10.414  198.933   10.812  180.531   10.675 18.40216 15.19401 
1 1 1  -22   14   14 o  319.232   8.6568  275.716   14.933   0.0000   0.0000  275.716   14.933  ?   ?   319.232   8.6568      ?      ? 
1 1 1  -22   14   15 o  384.393   6.4890  399.754   13.469  379.473   18.885  420.750   19.215  374.462   9.3331  394.324   9.0179 -19.86200 12.97801 
1 1 1  -22   14   16 o  389.054   6.4232  409.653   13.498  393.866   19.010  425.705   19.169  381.484   9.2217  396.624   8.9438 -15.13937 12.84646 
1 1 1  -22   14   17 o  235.117   6.5430  149.504   8.2913  151.487   12.208  147.805   11.296  236.549   9.5506  233.686   8.9458 2.862991 13.08594 
1 1 1  -22   14   18 f  235.613   6.5981  149.589   8.3559  156.967   12.595  143.789   11.167  240.758   9.6815  230.468   8.9670 10.29037 13.19612 
1 1 1  -22   14   19 o  184.835   7.6323   92.930   7.5682   89.406   11.281   95.815   10.206  181.599   11.496  188.071   10.042 -6.471664 15.26467 
1 1 1  -22   14   20 o  397.801   6.5226  427.434   13.980  442.143   20.707  415.111   18.952  404.048   9.4839  391.553   8.9574 12.49548 13.04529 
1 1 1  -22   14   21 o  132.016   9.9240   47.488   6.9717   46.485   10.783   48.209   9.1386  130.749   15.262  133.283   12.689 -2.533813 19.84792 
1 1 1  -22   14   22 o   79.984   15.635   14.638   7.7639   3.3851   9.9873   31.824   12.342   54.124   21.936  105.844   22.284 -51.71997 31.26954 
1 1 1  -22   14   23 o   86.649   18.030   21.087   9.0510   18.482   13.131   23.446   12.493   82.470   26.207   90.828   24.770 -8.357574 36.06084 
1 1 1  -22   14   24 o  305.996   8.5397  253.619   14.067  261.036   20.944  247.523   18.988  310.008   12.502  301.984   11.636 8.024445 17.07936 
1 1 1  -22   14   25 o   57.600   16.975   2.1718   8.7756   1.2176   12.636   3.0608   12.197   56.973   24.018   58.228   23.995 -1.255482 33.95026 
1 1 1  -22   14   27 o  231.320   9.0659  148.815   9.9130  138.919   19.153  152.436   11.585  225.535   15.716  237.104   9.0424 -11.56831 18.13171 
1 1 1  -22   14   28 o  140.265   13.639   55.159   9.9084   50.000   16.090   58.311   12.576  134.493   22.140  146.037   15.936 -11.54440 27.27892 
1 1 1  -22   14   29 o  167.132   12.239   78.490   10.574   69.662   17.135   83.919   13.438  158.938   19.951  175.326   14.184 -16.38719 24.47898 
1 1 1  -22   14   30 o  107.417   11.229   31.502   6.4785   32.842   9.7946   30.459   8.6380  109.370   16.573  105.464   15.157 3.906258 22.45894 
1 1 1  -22   14   31 o  244.217   6.3027  161.162   8.2560  168.298   12.570  155.747   10.949  248.887   9.3461  239.546   8.4585 9.340317 12.60544 
1 1 1  -22   14   32 o  297.280   6.2027  240.315   9.9212  235.905   14.654  244.047   13.481  294.685   9.2024  299.876   8.3193 -5.191040 12.40547 
1 1 1  -22   14   33 o  138.967   8.8029   54.575   6.3768   42.697   9.6431   63.805   8.5008  124.822   14.297  153.111   10.275 -28.28851 17.60580 
1 1 1  -22   14   34 o  159.780   7.8248   67.607   6.6549   83.177   10.549   57.314   8.5768  174.598   11.181  144.963   10.949 29.63554 15.64951 
1 1 1  -22   14   35 o   56.615   14.797   7.2860   5.9350   6.9734   9.2389   7.5057   7.7442   57.375   21.718   55.855   20.103 1.519485 29.59402 
1 1 1  -22   14   36 o   43.094   13.262  -2.3612   5.7689   2.7617   9.1429  -5.7498   7.4360   50.586   20.802   35.602   16.455 14.98342 26.52325 
1 1 1  -22   14   37 o  120.547   9.7877   38.759   6.2616   47.091   10.085   33.531   7.9879  130.684   14.281  110.410   13.389 20.27452 19.57536 
1 1 1  -22   14   38 o   41.374   13.091  -3.0540   5.9015  -2.6378   9.2830  -3.3363   7.6454   44.018   19.542   38.731   17.425 5.287613 26.18200 
1 1 1  -22   14   39 f  237.454   6.4219  154.441   8.1857  148.874   12.169  159.042   11.062  233.375   9.6499  241.532   8.4759 -8.156937 12.84376 
1 1 1  -22   14   40 o  134.200   8.5244   48.805   6.0912   54.344   9.6450   45.131   7.8560  140.279   12.724  128.121   11.347 12.15782 17.04880 
1 1 1  -22   14   41 o  120.051   9.9791   38.062   6.2906   53.669   10.179   28.421   8.0012  139.101   13.543  101.001   14.660 38.10078 19.95826 
1 1 1  -22   14   42 o  116.800   12.271   37.741   7.7447   0.0000   0.0000   37.741   7.7447  ?   ?   116.800   12.271      ?      ? 
1 1 1  -22   14   43 o  136.566   9.1215   52.822   6.5626   46.858   10.117   57.154   8.6227  129.274   14.483  143.858   11.092 -14.58414 18.24294 
1 1 1  -22   14   44 o   82.697   13.600   20.335   5.9226   21.624   9.0142   19.356   7.8563   84.762   20.003   80.631   18.433 4.130730 27.20091 
1 1 1  -22   14   45 o  161.227   8.0031   72.461   6.8962   69.675   10.432   74.623   9.1907  158.114   12.210  164.341   10.349 -6.226776 16.00619 
1 1 1  -22   14   46 o   93.239   13.129   26.233   6.3420   23.027   9.9291   28.442   8.2424   86.439   21.377  100.038   15.247 -13.59978 26.25747 
1 1 1  -22   14   47 o   96.265   12.719   28.175   6.2782   23.350   9.7415   31.604   8.2108   86.955   20.974  105.574   14.393 -18.61878 25.43767 
1 1 1  -22   14   48 o  123.705   10.020   44.234   6.5470   39.086   9.9762   48.129   8.6770  116.501   15.847  130.909   12.266 -14.40749 20.03968 
1 1 1  -22   14   49 o  140.979   8.8843   56.620   6.6221   53.268   10.298   58.983   8.6471  136.689   13.942  145.270   11.016 -8.580887 17.76856 
1 1 1  -22   14   50 o   59.377   14.342   6.8356   6.2929   19.663   9.8482  -2.0163   8.1810   78.315   22.235   40.438   18.122 37.87705 28.68391 
1 1 1  -22   14   51 o   92.485   13.104   24.763   6.3587   33.968   10.197   18.906   8.1336  107.123   17.616   77.847   19.404 29.27618 26.20798 
1 1 1  -22   14   52 o  118.495   10.867   41.217   6.8131   40.193   10.662   41.924   8.8575  116.253   16.972  120.737   13.576 -4.483543 21.73395 
1 1 1  -22   14   53 o  211.880   7.2594  125.776   8.2198  128.064   12.631  124.095   10.826  212.974   10.975  210.785   9.5046 2.188248 14.51882 
1 1 1  -22   14   54 o   64.964   15.833   13.852   6.6017   15.126   10.739   13.079   8.3701   66.785   23.712   63.143   20.989 3.642681 31.66652 
1 1 1  -22   14   55 o   52.287   15.897  -2.8643   9.8498 -30.3829   16.153   13.423   12.427   39.344   19.556   65.231   25.068 -25.88659 31.79388 
1 1 1  -22   14   56 o   35.617   12.631 -33.1849   10.316 -34.8198   15.845 -31.9820   13.592   37.129   18.595   34.105   17.100 3.024399 25.26222 
1 1 1  -22   14   57 o   54.029   24.509   5.6914   15.495   5.6914   15.495   0.0000   0.0000   54.029   24.509  ?   ?       ?      ? 
1 1 1  -22   14   58 o  180.464   12.138  102.293   11.622  106.689   18.306   99.324   15.043  181.257   18.690  179.672   15.494 1.584778 24.27697 
1 1 1  -22   14   59 o   62.657   17.730   13.511   8.2622   25.878   15.840   8.8889   9.6839   72.731   28.205   52.584   21.491 20.14660 35.45976 
1 1 1  -22   15    1 o  326.988   6.3248  289.413   11.169  285.713   16.019  292.912   15.580  324.944   9.1228  329.031   8.7629 -4.087402 12.64963 
1 1 1  -22   15    2 o  514.352   7.3527  714.363   20.410  675.675   28.049  757.896   29.754  499.591   10.390  529.114   10.407 -29.52255 14.70547 
1 1 1  -22   15    3 f  179.014   7.9291   87.089   7.6265   83.504   11.269   90.118   10.359  175.578   11.877  182.449   10.508 -6.871140 15.85828 
1 1 1  -22   15    4 o  236.125   6.8263  150.729   8.6796  152.846   12.862  148.959   11.761  237.630   10.017  234.620   9.2769 3.010162 13.65254 
1 1 1  -22   15    5 o   49.974   14.550   0.5042   6.4820   6.2882   9.9009  -3.8345   8.5751   58.439   22.395   41.509   18.581 16.93009 29.09956 
1 1 1  -22   15    6 o  107.985   12.256   32.481   6.9019   27.566   9.9103   37.110   9.6179   99.017   19.215  116.953   15.219 -17.93562 24.51193 
1 1 1  -22   15    7 o  260.989   6.5072  184.316   9.1731  184.374   13.169  184.261   12.785  261.023   9.3369  260.955   9.0663 0.6765747E-01 13.01440 
1 1 1  -22   15    8 o  335.704   6.3617  305.326   11.525  293.625   16.506  316.459   16.100  329.404   9.2729  342.004   8.7120 -12.59979 12.72345 
1 1 1  -22   15    9 o  115.883   16.716   41.739   8.5685   29.212   18.031   45.393   9.7383  102.379   30.391  129.387   13.928 -27.00829 33.43112 
1 1 1  -22   15   10 o  226.134   9.9461  146.908   10.356  122.748   20.187  155.536   12.064  212.531   17.578  239.736   9.3123 -27.20505 19.89214 
1 1 1  -22   15   11 o  465.084   8.5519  577.787   20.138  562.962   24.373  609.685   35.751  456.034   9.8906  474.134   13.954 -18.10025 17.10383 
1 1 1  -22   15   12 o  116.224   25.314   38.378   15.448   0.0000   0.0000   38.378   15.448  ?   ?   116.224   25.314      ?      ? 
1 1 1  -22   15   14 o  116.277   11.319   37.365   6.9921   31.760   10.331   42.102   9.4978  108.018   17.700  124.536   14.114 -16.51747 22.63802 
1 1 1  -22   15   15 o  475.760   9.7473  613.019   25.059   0.0000   0.0000  613.019   25.059  ?   ?   475.760   9.7473      ?      ? 
1 1 1  -22   15   16 o  384.140   6.5396  399.785   13.568  389.503   19.319  409.793   19.059  379.247   9.4268  389.034   9.0664 -9.786194 13.07917 
1 1 1  -22   15   17 o  338.524   6.3602  309.987   11.610  282.819   16.150  339.039   16.701  323.169   9.2484  353.878   8.7337 -30.70911 12.72047 
1 1 1  -22   15   18 o  260.276   6.6194  184.332   9.2627  172.038   13.499  195.270   12.733  251.998   9.9134  268.553   8.7744 -16.55453 13.23880 
1 1 1  -22   15   19 o  445.679   8.3367  524.857   18.886  499.611   22.836  579.505   33.597  429.425   9.8410  461.933   13.459 -32.50803 16.67337 
1 1 1  -22   15   20 o  352.161   8.7037  336.615   16.560  335.586   23.600  337.613   23.243  351.616   12.421  352.706   12.196 -1.089569 17.40734 
1 1 1  -22   15   21 o  356.244   8.7540  342.470   16.800  314.640   22.742  375.901   24.925  340.413   12.363  372.075   12.397 -31.66183 17.50799 
1 1 1  -22   15   22 o  330.640   8.6884  296.008   15.496  313.513   22.750  280.856   21.165  339.715   12.393  321.565   12.181 18.15024 17.37676 
1 1 1  -22   15   23 o  712.515   13.017  1389.29   50.110  1367.79   70.128  1411.71   71.630  706.911   18.358  718.120   18.459 -11.20874 26.03404 
1 1 1  -22   15   24 o  193.069   7.6940  101.579   7.9154   98.895   12.168  103.548   10.422  190.767   11.804  195.372   9.8715 -4.605347 15.38802 
1 1 1  -22   15   25 o  413.906   6.5934  465.015   14.730  455.927   21.225  473.457   20.458  409.958   9.5814  417.854   9.0603 -7.896057 13.18678 
1 1 1  -22   15   26 o  353.342   9.2954  340.426   17.650  336.712   26.301  343.468   23.807  351.430   13.850  355.255   12.402 -3.825287 18.59075 
1 1 1  -22   15   27 o  288.159   9.3157  225.969   14.375  229.279   21.914  223.468   19.044  289.844   13.992  286.474   12.303 3.370331 18.63135 
1 1 1  -22   15   28 o  186.177   11.190   95.948   10.758   91.712   17.873   98.356   13.473  182.506   18.123  189.848   13.133 -7.341431 22.38097 
1 1 1  -22   15   29 o  400.326   6.5022  434.245   14.012  447.164   20.873  423.649   18.904  405.655   9.5221  394.997   8.8567 10.65775 13.00431 
1 1 1  -22   15   30 o  280.145   6.2903  213.330   9.4624  211.172   14.161  215.071   12.719  278.781   9.4002  281.508   8.3611 -2.727631 12.58062 
1 1 1  -22   15   31 o  250.487   6.5541  169.454   8.7873  177.922   13.517  163.257   11.564  255.792   9.7796  245.183   8.7284 10.60834 13.10822 
1 1 1  -22   15   32 o  139.318   9.0996   53.687   6.7229   49.638   10.329   56.663   8.8555  134.521   14.209  144.115   11.371 -9.593948 18.19929 
1 1 1  -22   15   33 f  117.917   10.268   39.361   6.2904   33.406   9.9139   43.374   8.1384  109.897   16.694  125.937   11.959 -16.04006 20.53588 
1 1 1  -22   15   34 o  136.685   8.9086   51.156   6.4663   51.586   10.143   50.861   8.3931  136.987   13.702  136.383   11.389 0.6035767 17.81716 
1 1 1  -22   15   35 o  121.598   9.8585   39.119   6.3481   51.364   10.163   31.285   8.1290  136.621   13.766  106.575   14.115 30.04635 19.71693 
1 1 1  -22   15   36 o   87.432   13.239   22.155   5.9833   22.041   9.3781   22.233   7.7702   86.831   20.343   88.034   16.949 -1.203667 26.47869 
1 1 1  -22   15   37 o  183.835   7.4254   93.450   7.2196   87.257   11.220   97.826   9.4315  178.316   11.644  189.354   9.2176 -11.03773 14.85087 
1 1 1  -22   15   38 o   57.599   14.699   8.2145   5.7863   8.2529   9.1116   8.1885   7.4907   58.799   21.707   56.399   19.827 2.400219 29.39893 
1 1 1  -22   15   39 o  158.548   7.9297   66.696   6.6655   82.649   10.768   56.787   8.4868  173.311   11.498  143.786   10.923 29.52466 15.85932 
1 1 1  -22   15   40 o  195.705   7.1492  105.028   7.4601  105.182   11.524  104.917   9.7880  195.590   10.903  195.819   9.2502 -0.2291107 14.29843 
1 1 1  -22   15   41 o  177.932   7.4921   89.169   6.9833   77.066   10.847   97.736   9.1261  166.910   12.027  188.954   8.9380 -22.04404 14.98421 
1 1 1  -22   15   42 o  206.086   6.8892  116.220   7.5259  119.463   11.924  114.073   9.7026  208.140   10.602  204.032   8.8004 4.107971 13.77849 
1 1 1  -22   15   43 o  145.959   8.6946   60.719   6.6371   51.900   10.296   66.989   8.6818  136.046   14.005  155.871   10.308 -19.82416 17.38924 
1 1 1  -22   15   44 o  142.778   8.6341   57.429   6.5242   53.584   10.099   60.183   8.5470  138.126   13.531  147.429   10.729 -9.302444 17.26830 
1 1 1  -22   15   45 o  184.821   7.2963   94.181   7.2628   98.234   10.800   90.834   9.8135  188.315   10.613  181.327   10.015 6.987701 14.59260 
1 1 1  -22   15   46 o  123.284   10.027   43.362   6.5737   41.136   10.067   45.016   8.6799  119.934   15.533  126.633   12.685 -6.699745 20.05420 
1 1 1  -22   15   47 o   35.171   11.775  -9.5455   6.1346 -17.0324   9.5201  -4.2292   8.0222   32.451   15.916   37.892   17.358 -5.440861 23.55037 
1 1 1  -22   15   48 o  164.872   8.1027   75.726   7.1342   79.322   11.061   73.165   9.3353  167.804   12.199  161.941   10.668 5.863556 16.20550 
1 1 1  -22   15   49 o   45.005   13.880   0.3119   6.3434   0.0913   9.3469   0.5003   8.6370   45.530   19.933   44.479   19.322 1.051380 27.76037 
1 1 1  -22   15   50 o  222.318   7.0266  137.444   8.3586  138.922   12.763  136.334   11.061  222.911   10.596  221.725   9.2317 1.186417 14.05323 
1 1 1  -22   15   51 o   62.668   14.281   11.460   6.5542  -0.6725   10.156   20.120   8.5803   45.858   20.395   79.478   19.996 -33.61950 28.56237 
1 1 1  -22   15   52 o  170.652   8.0820   82.092   7.3664   85.389   11.395   79.725   9.6552  173.036   12.187  168.268   10.619 4.767548 16.16405 
1 1 1  -22   15   53 o   54.930   15.335   6.6199   6.8137   13.968   10.768   1.7124   8.7996   64.863   23.651   44.997   19.525 19.86580 30.66925 
1 1 1  -22   15   54 o   52.680   17.079  -8.2856   10.758   11.703   17.979 -19.4347   13.428   66.448   28.356   38.912   19.046 27.53602 34.15865 
1 1 1  -22   15   55 f   34.303   17.390 -48.8288   16.406 -48.8288   16.406   0.0000   0.0000   34.303   17.390  ?   ?       ?      ? 
1 1 1  -22   15   56 f   49.543   15.690  -1.9881   9.3400   14.635   13.779 -16.1194   12.704   61.822   25.493   37.265   18.298 24.55712 31.38055 
1 1 1  -22   15   57 o  141.137   14.258   67.296   10.306   58.874   15.518   73.941   13.784  128.580   23.188  153.694   16.597 -25.11380 28.51537 
1 1 1  -22   15   58 o   98.033   16.964   35.989   8.3503   42.883   15.384   33.109   9.9425   98.764   27.702   97.301   19.588 1.462822 33.92785 
1 1 1  -22   16    2 o  369.805   9.0609  370.165   18.106   0.0000   0.0000  370.165   18.106  ?   ?   369.805   9.0609      ?      ? 
1 1 1  -22   16    3 o  171.072   8.0609   79.408   7.4407   75.217   10.594   83.488   10.453  166.595   11.768  175.549   11.019 -8.953720 16.12189 
1 1 1  -22   16    4 f  348.585   6.4564  328.933   12.147  328.520   17.600  329.310   16.787  348.360   9.3496  348.810   8.9063 -0.4499817 12.91271 
1 1 1  -22   16    5 o  169.902   8.4381   79.040   7.6679   69.466   11.182   87.538   10.535  160.044   12.930  179.760   10.846 -19.71658 16.87620 
1 1 1  -22   16    6 o   87.792   13.450   21.154   6.7561   36.982   9.8998   7.3564   9.2432  116.664   15.704   58.919   21.841 57.74458 26.90053 
1 1 1  -22   16    7 o  216.481   9.9732  126.916   11.667   0.0000   0.0000  126.916   11.667  ?   ?   216.481   9.9732      ?      ? 
1 1 1  -22   16    8 o  411.140   6.6698  457.863   14.812  444.487   21.004  471.096   20.891  405.149   9.5940  417.131   9.2683 -11.98187 13.33961 
1 1 1  -22   16    9 o  219.984   7.2888  131.383   8.6452  124.392   12.410  137.976   12.051  214.262   10.718  225.706   9.8805 -11.44385 14.57755 
1 1 1  -22   16   10 o  327.138   8.9857  288.805   14.102  293.694   27.240  287.015   16.483  328.712   15.336  325.564   9.3695 3.148315 17.97143 
1 1 1  -22   16   11 o  174.380   12.660   78.301   9.6707   90.788   21.963   75.297   10.771  182.130   22.316  166.629   11.962 15.50089 25.32033 
1 1 1  -22   16   12 o  109.710   15.697   32.042   8.5813   27.690   10.428   41.171   15.103   98.948   20.187  120.471   24.042 -21.52314 31.39351 
1 1 1  -22   16   13 o  784.334   10.018  1667.11   42.392  1604.58   57.975  1738.96   62.143  768.628   13.959  800.041   14.375 -31.41296 20.03665 
1 1 1  -22   16   14 o  329.754   6.5434  294.655   11.646  290.499   16.807  298.494   16.153  327.496   9.4974  332.013   9.0036 -4.517456 13.08682 
1 1 1  -22   16   15 o  469.839   7.0682  598.286   17.940  583.767   25.451  612.624   25.291  464.151   10.147  475.526   9.8423 -11.37442 14.13649 
1 1 1  -22   16   16 o   66.610   17.085   9.3497   7.9790   5.6495   10.556   14.282   12.187   58.561   22.937   74.660   25.328 -16.09907 34.17070 
1 1 1  -22   16   17 o  101.841   16.586   29.590   8.9747   24.910   12.554   34.482   12.835   93.468   24.543  110.214   22.316 -16.74584 33.17157 
1 1 1  -22   16   18 o  258.687   8.5662  181.035   11.953  169.955   16.342  193.784   17.529  250.207   12.087  267.166   12.142 -16.95932 17.13235 
1 1 1  -22   16   19 o  182.179   10.557   90.402   10.390   88.333   14.721   92.455   14.665  180.083   15.128  184.275   14.728 -4.192291 21.11310 
1 1 1  -22   16   20 o  470.634   9.7375  602.776   24.763  595.270   34.929  610.360   35.112  467.677   13.822  473.592   13.720 -5.915863 19.47503 
1 1 1  -22   16   21 o  469.105   8.4420  608.723   20.512  558.333   33.475  639.016   25.955  452.857   13.680  485.353   9.8963 -32.49673 16.88397 
1 1 1  -22   16   22 o  603.630   11.387  989.965   37.142   0.0000   0.0000  989.965   37.142  ?   ?   603.630   11.387      ?      ? 
1 1 1  -22   16   23 o  246.732   6.7417  165.349   8.9532  162.923   13.207  167.412   12.179  245.007   9.9757  248.457   9.0713 -3.450119 13.48340 
1 1 1  -22   16   24 o  170.851   8.3216   79.709   7.5548   77.631   11.724   81.185   9.8795  168.829   12.851  172.873   10.576 -4.044235 16.64321 
1 1 1  -22   16   25 o  202.738   10.871  111.728   11.629  115.766   18.716  109.189   14.842  205.447   16.859  200.028   13.731 5.418381 21.74280 
1 1 1  -22   16   26 o  251.545   9.9568  175.493   13.219  159.685   20.494  186.757   17.299  241.342   15.715  261.748   12.231 -20.40613 19.91363 
1 1 1  -22   16   27 o  196.756   8.8578  104.639   9.2638  100.349   11.957  111.081   14.652  191.908   11.530  201.604   13.450 -9.696335 17.71551 
1 1 1  -22   16   28 o  267.901   6.4418  195.381   9.2925  189.003   13.594  200.975   12.731  263.719   9.5394  272.082   8.6594 -8.362915 12.88355 
1 1 1  -22   16   29 o  302.804   6.2965  248.823   10.240  251.132   15.386  246.988   13.718  303.978   9.3671  301.630   8.4167 2.348175 12.59300 
1 1 1  -22   16   30 o  213.594   6.9750  124.690   7.9916  119.221   11.893  129.193   10.791  209.200   10.520  217.989   9.1611 -8.789124 13.94991 
1 1 1  -22   16   31 o  231.549   6.7005  147.098   8.2779  137.709   12.510  154.411   11.041  224.768   10.300  238.330   8.5728 -13.56279 13.40093 
1 1 1  -22   16   32 o  109.936   10.865   32.921   6.4096   38.584   9.6885   28.513   8.5473  118.265   15.161  101.608   15.567 16.65729 21.72983 
1 1 1  -22   16   33 o  236.840   6.5926  152.750   8.3872  153.492   12.576  152.156   11.256  237.252   9.8093  236.428   8.8105 0.8242645 13.18513 
1 1 1  -22   16   34 o  236.738   6.6112  151.571   8.3609  160.470   12.983  145.265   10.929  242.500   9.9074  230.975   8.7565 11.52505 13.22242 
1 1 1  -22   16   35 o   94.251   12.930   25.496   6.2778   26.614   9.7265   24.697   8.2191   95.697   19.472   92.806   17.016 2.890793 25.85941 
1 1 1  -22   16   36 o  187.978   7.1458   96.044   7.1612  100.571   11.180   92.894   9.3253  191.540   10.802  184.415   9.3579 7.124985 14.29166 
1 1 1  -22   16   37 o  173.364   7.8558   84.347   7.1795   71.968   10.899   93.838   9.5427  161.506   12.488  185.223   9.5343 -23.71695 15.71170 
1 1 1  -22   16   38 o  160.532   7.6883   70.065   6.5296   74.402   10.479   67.312   8.3484  164.311   11.803  156.752   9.8561 7.559494 15.37665 
1 1 1  -22   16   39 o   69.282   14.182   14.523   6.1564   5.2902   9.7828   20.578   7.9217   54.822   21.888   83.742   18.039 -28.91933 28.36345 
1 1 1  -22   16   40 o  105.617   11.500   30.748   6.2926   40.741   9.9593   24.107   8.1184  120.369   15.312   90.865   17.163 29.50390 23.00075 
1 1 1  -22   16   41 o  152.084   8.4488   66.140   6.6525   55.807   10.536   72.990   8.5787  141.238   13.805  162.930   9.7438 -21.69263 16.89762 
1 1 1  -22   16   42 o   82.544   13.300   21.984   6.0169   11.542   9.6978   28.519   7.6722   64.327   22.562  100.762   14.091 -36.43533 26.60084 
1 1 1  -22   16   43 o  146.587   8.7926   61.519   6.7695   51.099   10.248   69.585   9.0165  134.613   14.089  158.561   10.523 -23.94788 17.58517 
1 1 1  -22   16   44 f  216.046   6.8582  129.372   7.8870  125.278   12.138  132.364   10.376  212.655   10.563  219.438   8.7506 -6.782959 13.71644 
1 1 1  -22   16   45 o  182.049   7.5248   90.771   7.2570   98.514   11.643   85.852   9.2804  187.907   11.466  176.190   9.7476 11.71742 15.04953 
1 1 1  -22   16   46 o   87.950   12.846   26.437   6.3841   7.4107   9.8521   40.210   8.3820   56.586   22.160  119.315   13.001 -62.72903 25.69242 
1 1 1  -22   16   47 o  180.788   7.7642   93.468   7.3558   80.850   11.393  102.489   9.6327  169.202   12.461  192.374   9.2665 -23.17093 15.52842 
1 1 1  -22   16   48 o  150.234   8.7126   62.097   6.9696   73.889   11.072   54.358   8.9697  161.549   12.683  138.920   11.949 22.62941 17.42515 
1 1 1  -22   16   49 o   53.461   14.042   2.6128   6.1794   16.410   9.8421  -6.3650   7.9393   71.574   22.683   35.348   16.559 36.22642 28.08412 
1 1 1  -22   16   50 o  136.548   10.242   56.294   7.1662   43.946   11.173   64.923   9.3403  121.504   17.018  151.591   11.403 -30.08675 20.48485 
1 1 1  -22   16   51 o  171.995   8.2625   82.351   7.5498   93.601   12.075   75.130   9.6738  180.940   12.350  163.049   10.980 17.89098 16.52504 
1 1 1  -22   16   52 o   33.063   11.469 -15.4831   6.8959 -17.9900   10.807 -13.7614   8.9560   34.077   16.762   32.049   15.659 2.027485 22.93817 
1 1 1  -22   16   53 o  228.868   11.628  157.001   13.928  158.356   22.591  156.171   17.689  226.701   18.441  231.034   14.169 -4.333420 23.25608 
1 1 1  -22   16   54 o   53.447   15.630  -6.0681   10.298 -55.0000   17.879   18.223   12.597   35.153   17.855   71.741   25.659 -36.58828 31.25979 
1 1 1  -22   16   55 o   65.058   17.346   11.113   9.5604   33.626   14.966  -4.4077   12.426   86.722   28.023   43.394   20.450 43.32787 34.69141 
1 1 1  -22   16   56 o  178.072   11.575   97.258   11.036  116.802   16.782   82.365   14.650  194.112   15.999  162.033   16.732 32.07939 23.15014 
1 1 1  -22   16   57 o   40.317   13.646  -6.3148   7.9783  -8.6914   14.118  -5.1998   9.6705   42.735   20.589   37.899   17.915 4.836571 27.29176 
1 1 1  -22   17    1 o  314.697   9.0090  268.162   15.320   0.0000   0.0000  268.162   15.320  ?   ?   314.697   9.0090      ?      ? 
1 1 1  -22   17    2 o  578.095   7.9934  905.495   24.961  873.997   34.844  938.700   35.776  567.765   11.357  588.425   11.251 -20.65985 15.98684 
1 1 1  -22   17    3 o  299.953   6.5596  243.550   10.611  245.294   15.529  242.023   14.532  300.939   9.5497  298.967   8.9953 1.971649 13.11914 
1 1 1  -22   17    4 o  270.493   9.5431  198.172   13.949  198.172   13.949   0.0000   0.0000  270.493   9.5431  ?   ?       ?      ? 
1 1 1  -22   17    5 o  422.635   6.7556  484.036   15.420  474.473   22.031  493.220   21.589  418.520   9.7418  426.750   9.3622 -8.230103 13.51118 
1 1 1  -22   17    6 o  448.257   6.9854  543.685   16.907  514.606   23.496  574.907   24.347  435.830   9.9766  460.683   9.7802 -24.85272 13.97087 
1 1 1  -22   17    7 o  320.744   6.5867  278.650   11.397  278.130   16.599  279.115   15.675  320.438   9.5863  321.050   9.0357 -0.6123657 13.17348 
1 1 1  -22   17    8 o  188.424   8.0542   96.281   8.1996   94.624   11.602   97.936   11.590  186.798   11.494  190.051   11.286 -3.253281 16.10835 
1 1 1  -22   17    9 o  523.610   10.483  743.059   29.660   0.0000   0.0000  743.059   29.660  ?   ?   523.610   10.483      ?      ? 
1 1 1  -22   17   10 o  265.973   6.9042  192.157   9.8830  185.279   14.490  198.141   13.515  261.473   10.255  270.473   9.2470 -8.999512 13.80842 
1 1 1  -22   17   11 o  288.194   9.6041  234.192   12.679  209.347   25.374  242.460   14.637  277.185   16.941  299.203   9.0534 -22.01749 19.20822 
1 1 1  -22   17   12 o  508.303   7.4679  700.727   20.503  688.549   29.278  712.446   28.720  503.936   10.752  512.670   10.367 -8.733337 14.93580 
1 1 1  -22   17   13 o  509.601   10.867  704.271   29.923  704.271   29.923   0.0000   0.0000  509.601   10.867  ?   ?       ?      ? 
1 1 1  -22   17   14 o  115.278   15.879   37.477   9.6502   40.991   13.256   33.514   14.076  122.355   20.049  108.200   24.629 14.15553 31.75723 
1 1 1  -22   17   15 o  420.382   9.2548  480.310   21.022  472.522   29.550  488.288   29.911  416.927   13.116  423.837   13.060 -6.909332 18.50957 
1 1 1  -22   17   16 o  256.785   9.0249  179.264   12.519  178.446   17.907  180.045   17.508  256.191   12.935  257.379   12.589 -1.187836 18.04981 
1 1 1  -22   17   17 o  375.606   8.8749  383.589   18.008  382.207   25.760  384.910   25.183  374.914   12.715  376.299   12.385 -1.384857 17.74990 
1 1 1  -22   17   18 o  291.544   7.6165  231.034   11.560  229.730   19.073  231.791   14.534  290.704   12.142  292.385   9.1993 -1.681213 15.23302 
1 1 1  -22   17   19 o  342.463   6.5701  318.591   12.137  300.538   17.302  336.080   17.030  332.850   9.6197  352.076   8.9514 -19.22629 13.14027 
1 1 1  -22   17   20 o   62.210   14.045   5.4757   6.6516   20.827   9.8972  -7.1690   8.9826   85.269   21.488   39.151   18.091 46.11797 28.08995 
1 1 1  -22   17   21 o  113.844   11.369   35.285   6.9559   37.023   10.491   33.921   9.2922  116.280   16.696  111.409   15.435 4.871353 22.73754 
1 1 1  -22   17   22 o  234.250   7.0046  149.570   8.8020  143.950   13.126  154.163   11.865  230.156   10.554  238.344   9.2125 -8.188309 14.00926 
1 1 1  -22   17   23 o  233.513   9.7653  156.323   10.725  133.491   20.346  165.108   12.620  220.452   17.080  246.574   9.4720 -26.12166 19.53057 
1 1 1  -22   17   24 o  326.346   9.8385  291.521   17.141  289.189   26.299  293.243   22.600  324.902   14.980  327.791   12.759 -2.889343 19.67709 
1 1 1  -22   17   25 o  511.231   10.679  713.084   29.309  745.270   44.430  688.288   38.997  521.058   15.780  501.405   14.393 19.65274 21.35802 
1 1 1  -22   17   26 o  129.474   10.429   46.153   7.2403   43.841   10.767   48.061   9.7826  126.372   15.767  132.576   13.655 -6.203766 20.85812 
1 1 1  -22   17   27 o  139.464   9.2536   52.738   6.9451   58.578   10.392   48.024   9.3367  146.379   13.138  132.549   13.036 13.82964 18.50727 
1 1 1  -22   17   28 o  135.734   9.5426   50.206   6.9739   53.443   10.414   47.575   9.3903  139.637   13.802  131.830   13.182 7.807175 19.08521 
1 1 1  -22   17   29 o  103.893   12.580   30.205   6.8286   31.510   10.546   29.262   8.9608  104.836   19.328  102.950   16.108 1.886299 25.16003 
1 1 1  -22   17   30 o  297.428   6.4163  241.183   10.290  223.546   14.574  258.716   14.531  286.484   9.4142  308.373   8.7204 -21.88925 12.83252 
1 1 1  -22   17   31 o  107.881   12.499   32.773   6.7291   53.198   10.211   17.093   8.9468  139.091   13.585   76.671   20.984 62.42069 24.99765 
1 1 1  -22   17   32 o  145.562   8.8011   58.472   6.8445   55.702   10.345   60.629   9.1280  142.289   13.455  148.835   11.350 -6.546127 17.60228 
1 1 1  -22   17   33 o  152.412   8.3814   63.891   6.7793   62.758   10.582   64.679   8.8289  151.039   12.966  153.786   10.624 -2.746521 16.76273 
1 1 1  -22   17   34 o  202.977   7.0329  113.484   7.6548  102.233   11.138  123.555   10.538  193.190   10.669  212.763   9.1658 -19.57353 14.06578 
1 1 1  -22   17   35 o  132.689   9.0858   47.418   6.4328   57.338   10.088   40.621   8.3508  144.071   12.958  121.308   12.739 22.76246 18.17165 
1 1 1  -22   17   36 o  198.255   7.1103  104.786   7.4470  121.458   12.168   94.801   9.4166  210.336   10.706  186.174   9.3602 24.16151 14.22050 
1 1 1  -22   17   37 o   63.507   15.030   10.853   6.0043   13.638   9.4213   8.9488   7.7918   68.881   22.232   58.133   20.233 10.74856 30.06038 
1 1 1  -22   17   38 o   56.048   13.379   0.9296   6.0569   19.345   9.7596 -10.6060   7.7244   80.125   21.911   31.972   15.359 48.15210 26.75802 
1 1 1  -22   17   39 o   57.524   15.059   8.1937   6.1768   7.2320   9.6070   8.8715   8.0647   57.133   22.019   57.915   20.550 -0.7817917 30.11837 
1 1 1  -22   17   40 o   83.556   13.308   22.311   6.1889   10.636   9.6147   30.570   8.0870   62.769   22.420  104.343   14.343 -41.57419 26.61547 
1 1 1  -22   17   41 o  115.135   10.634   37.145   6.5393   39.996   10.180   35.141   8.5325  118.554   15.891  111.717   14.134 6.837128 21.26715 
1 1 1  -22   17   42 o  156.436   8.2916   69.280   6.8431   61.762   10.526   74.785   9.0062  148.372   13.128  164.501   10.132 -16.12904 16.58321 
1 1 1  -22   17   43 o   68.219   14.687   14.456   6.0374   9.9010   9.8120   17.231   7.6590   61.045   22.528   75.394   18.850 -14.34924 29.37397 
1 1 1  -22   17   44 o   84.813   13.708   21.092   6.1506   29.557   9.6709   15.342   7.9702   98.957   18.772   70.669   19.981 28.28874 27.41614 
1 1 1  -22   17   45 o   47.831   13.543  -0.8365   5.9576   11.689   9.3846  -9.2919   7.7105   63.199   22.193   32.464   15.529 30.73419 27.08675 
1 1 1  -22   17   46 o   56.120   14.743   7.1316   6.1232   13.494   9.4850   2.5854   8.0178   66.287   22.346   45.952   19.239 20.33511 29.48645 
1 1 1  -22   17   47 o  152.145   11.578   65.034   9.5188   0.0000   0.0000   65.034   9.5188  ?   ?   152.145   11.578      ?      ? 
1 1 1  -22   17   48 o   57.090   15.421   8.6269   6.6039   7.9948   10.018   9.1126   8.7818   56.843   22.321   57.337   21.282 -0.4947662 30.84104 
1 1 1  -22   17   49 o   47.399   14.352   0.2275   6.6091   7.6546   10.498  -4.6495   8.5066   56.596   22.646   38.202   17.636 18.39392 28.70367 
1 1 1  -22   17   50 o   89.301   15.199   25.990   7.1848   28.824   11.054   23.916   9.4541   92.978   22.291   85.624   20.669 7.354042 30.39872 
1 1 1  -22   17   51 o  145.416   10.191   59.733   7.8220   76.389   12.847   49.922   9.8600  160.476   14.816  130.355   13.998 30.12071 20.38237 
1 1 1  -22   17   52 o  150.124   16.800   94.325   12.383   22.167   19.381  144.099   16.097   77.320   30.828  222.927   13.363 -145.6068 33.59917 
1 1 1  -22   17   53 o   63.296   16.296   2.4058   11.022 -48.6036   18.718   29.482   13.637   37.713   19.056   88.880   26.441 -51.16751 32.59167 
1 1 1  -22   17   54 o   42.021   14.301  -9.3024   9.5932 -11.8671   14.105  -7.0946   13.086   41.455   20.118   42.587   20.332 -1.132111 28.60278 
1 1 1  -22   17   55 o   51.197   16.283   2.1915   9.5973  -3.0721   14.158   6.6667   13.054   47.784   22.295   54.610   23.738 -6.825214 32.56681 
1 1 1  -22   17   56 o   44.643   14.855  -7.0890   8.0083   11.203   15.127 -14.2119   9.4396   57.560   25.274   31.725   15.617 25.83462 29.70975 
1 1 1  -22   18    1 o   87.303   13.847   21.681   6.7652   10.823   9.5922   32.427   9.5428   65.522   22.469  109.084   16.189 -43.56149 27.69422 
1 1 1  -22   18    2 o  345.412   9.2898  323.265   17.339   0.0000   0.0000  323.265   17.339  ?   ?   345.412   9.2898      ?      ? 
1 1 1  -22   18    3 o  171.071   8.4460   79.536   7.7979   76.086   11.129   82.863   10.929  167.398   12.303  174.744   11.575 -7.345856 16.89206 
1 1 1  -22   18    4 o  717.887   13.132  1400.31   50.941   0.0000   0.0000  1400.31   50.941  ?   ?   717.887   13.132      ?      ? 
1 1 1  -22   18    5 o  595.753   11.420  963.085   36.763   0.0000   0.0000  963.085   36.763  ?   ?   595.753   11.420      ?      ? 
1 1 1  -22   18    6 o  397.095   9.4158  427.307   20.204   0.0000   0.0000  427.307   20.204  ?   ?   397.095   9.4158      ?      ? 
1 1 1  -22   18    7 o   86.382   13.979   21.450   6.9629   8.5421   10.051   33.361   9.6552   62.138   22.821  110.625   16.152 -48.48693 27.95866 
1 1 1  -22   18    8 o  307.235   11.907  256.306   19.768   0.0000   0.0000  256.306   19.768  ?   ?   307.235   11.907      ?      ? 
1 1 1  -22   18    9 o   71.340   17.597   12.126   8.5130   7.5090   11.883   16.993   12.201   63.567   24.491   79.113   25.276 -15.54509 35.19483 
1 1 1  -22   18   10 o   78.509   17.161   16.118   8.5847   6.9932   12.177   25.135   12.105   63.332   24.682   93.686   23.849 -30.35384 34.32177 
1 1 1  -22   18   11 o  116.820   14.875   39.385   8.8952   21.797   12.377   58.176   12.793   87.640   24.941  146.000   16.216 -58.35993 29.74901 
1 1 1  -22   18   12 o   56.669   23.826   1.4520   12.382   0.0000   0.0000   1.4520   12.382  ?   ?    56.669   23.826      ?      ? 
1 1 1  -22   18   13 o  336.454   8.9222  305.235   16.152  342.568   24.145  275.000   21.730  354.919   12.590  317.988   12.646 36.93170 17.84438 
1 1 1  -22   18   14 o  430.712   9.7985  504.891   22.775  542.568   32.693  469.369   31.744  446.386   13.554  415.039   14.154 31.34714 19.59703 
1 1 1  -22   18   15 f  353.304   6.8196  337.261   12.973  354.186   19.343  323.423   17.490  361.288   9.9080  345.320   9.3732 15.96826 13.63913 
1 1 1  -22   18   16 o  331.265   6.5583  297.947   11.727  288.545   16.793  306.896   16.384  326.123   9.5295  336.407   9.0130 -10.28391 13.11660 
1 1 1  -22   18   17 o  290.720   9.1310  229.257   14.344   0.0000   0.0000  229.257   14.344  ?   ?   290.720   9.1310      ?      ? 
1 1 1  -22   18   18 o  158.070   9.0958   67.815   7.7218   70.284   11.665   65.889   10.302  160.562   13.445  155.579   12.254 4.983002 18.19152 
1 1 1  -22   18   19 o  308.581   6.7218  259.543   11.163  241.987   16.154  275.589   15.443  298.472   10.016  318.690   8.9675 -20.21811 13.44353 
1 1 1  -22   18   20 o  110.483   11.687   33.530   6.9685   32.855   10.047   34.156   9.6734  109.359   17.002  111.606   16.040 -2.246269 23.37395 
1 1 1  -22   18   21 o  125.328   14.199   42.971   9.6158   0.0000   0.0000   42.971   9.6158  ?   ?   125.328   14.199      ?      ? 
1 1 1  -22   18   22 o  280.486   10.576  219.104   15.547  199.775   24.586  231.982   20.069  269.466   16.885  291.506   12.741 -22.04004 21.15250 
1 1 1  -22   18   23 o  141.884   15.745   57.483   11.386   54.257   18.221   59.550   14.583  136.892   25.573  146.875   18.374 -9.982697 31.48936 
1 1 1  -22   18   24 o  121.003   12.802   39.681   8.1998   36.947   10.443   44.077   13.241  115.865   16.680  126.141   19.426 -10.27629 25.60454 
1 1 1  -22   18   25 o  121.089   10.748   40.091   6.9911   41.975   10.565   38.623   9.3243  123.524   15.829  118.655   14.543 4.868752 21.49512 
1 1 1  -22   18   26 o   72.676   14.972   14.451   6.4488   20.983   9.5708   9.0196   8.7274   85.018   20.965   60.335   21.381 24.68315 29.94442 
1 1 1  -22   18   27 o  278.426   6.5306  211.413   9.7665  207.071   14.550  214.974   13.176  275.697   9.7663  281.154   8.6727 -5.456818 13.06125 
1 1 1  -22   18   28 o  169.671   8.3703   78.205   7.6417   85.366   11.471   72.491   10.247  176.568   12.023  162.775   11.649 13.79340 16.74067 
1 1 1  -22   18   29 o  162.080   8.8292   73.510   7.5681   61.800   11.299   83.039   10.193  149.833   13.955  174.326   10.820 -24.49335 17.65834 
1 1 1  -22   18   30 o   90.622   13.326   25.456   6.5923   10.366   9.7895   37.977   8.9173   63.860   22.643  117.385   14.058 -53.52494 26.65223 
1 1 1  -22   18   31 f  317.763   6.3874  275.608   10.920  271.003   16.139  279.497   14.830  315.171   9.4765  320.355   8.5669 -5.184357 12.77483 
1 1 1  -22   18   32 o  186.705   7.6725   96.135   7.6821   89.175   11.316  102.084   10.462  180.204   11.621  193.206   10.021 -13.00168 15.34506 
1 1 1  -22   18   33 o  158.195   8.2935   68.990   7.0258   67.759   10.617   69.949   9.3711  156.736   12.536  159.655   10.862 -2.919632 16.58702 
1 1 1  -22   18   34 o   78.113   14.189   18.333   6.0275   15.518   9.3056   20.368   7.9115   72.750   21.887   83.475   18.064 -10.72424 28.37850 
1 1 1  -22   18   35 o   82.996   13.288   18.286   6.2496   33.160   9.8995   8.4300   8.0585  108.531   16.880   57.461   20.526 51.07059 26.57504 
1 1 1  -22   18   36 o   71.839   15.039   14.573   6.1512   19.100   9.9651   11.786   7.8185   79.677   22.277   64.001   20.210 15.67563 30.07887 
1 1 1  -22   18   37 o  284.592   6.4319  220.393   9.7926  233.563   15.117  210.871   12.854  291.629   9.5929  277.555   8.5705 14.07480 12.86384 
1 1 1  -22   18   38 o   82.052   14.527   20.488   6.3834   19.044   9.9200   21.509   8.3393   79.074   22.269   85.031   18.662 -5.956978 29.05434 
1 1 1  -22   18   39 o  150.195   8.8827   64.991   6.9417   51.939   10.613   74.751   9.1771  135.815   14.461  164.575   10.319 -28.76030 17.76535 
1 1 1  -22   18   40 o   87.526   13.162   24.695   6.3825   10.208   9.5643   36.325   8.5698   61.517   22.312  113.536   13.969 -52.01828 26.32393 
1 1 1  -22   18   41 o  130.442   9.7083   49.224   6.6018   41.631   10.264   54.581   8.6216  120.794   15.725  140.089   11.389 -19.29555 19.41655 
1 1 1  -22   18   42 o  151.679   8.5280   63.230   6.8534   70.161   11.029   58.870   8.7475  157.943   12.922  145.416   11.132 12.52629 17.05600 
1 1 1  -22   18   43 o   52.092   14.629   5.6029   6.1390   5.2279   9.0776   5.9190   8.3337   52.160   20.993   52.024   20.379 0.1358070 29.25758 
1 1 1  -22   18   44 o   74.700   15.112   17.786   6.4643   14.988   9.8196   19.926   8.5875   69.387   22.718   80.014   19.935 -10.62724 30.22391 
1 1 1  -22   18   45 o  118.631   10.432   40.049   6.5462   42.731   10.502   38.345   8.3717  121.183   16.037  116.078   13.347 5.104866 20.86440 
1 1 1  -22   18   46 f   68.213   15.274   13.095   6.3878   21.489   10.376   7.9711   8.1062   81.541   22.708   54.885   20.432 26.65574 30.54704 
1 1 1  -22   18   47 o  115.693   11.437   38.023   7.0152   49.820   11.100   30.178   9.0522  130.355   15.758  101.031   16.581 29.32404 22.87461 
1 1 1  -22   18   48 o   74.879   15.426   18.714   6.7119   14.856   10.714   21.206   8.6110   68.044   23.723   81.714   19.726 -13.66996 30.85296 
1 1 1  -22   18   49 o   79.902   15.893   21.390   7.0949   24.791   10.926   18.910   9.3294   84.850   23.176   74.953   21.754 9.897057 31.78611 
1 1 1  -22   18   50 o  196.028   12.539  127.947   10.765   95.608   20.934  139.572   12.551  169.968   22.793  222.087   10.459 -52.11848 25.07752 
1 1 1  -22   18   51 o  109.586   17.912   46.245   11.149   24.932   18.060   59.369   14.172   80.694   30.407  138.479   18.939 -57.78575 35.82320 
1 1 1  -22   18   52 o   49.562   23.620  -9.0698   17.500  -9.0698   17.500   0.0000   0.0000   49.562   23.620  ?   ?       ?      ? 
1 1 1  -22   18   53 o   44.323   14.941  -6.5718   9.9198  -5.5518   13.863  -7.6419   14.200   44.713   21.227   43.934   21.031 0.7782440 29.88136 
1 1 1  -22   18   54 o   61.651   17.707   12.652   9.2698   17.504   13.744   8.6036   12.555   67.202   26.214   56.101   23.811 11.10054 35.41381 
1 1 1  -22   18   55 o   52.266   15.562   6.3538   7.2759   15.687   12.311   1.3442   9.0197   62.019   24.619   42.513   19.041 19.50646 31.12360 
1 1 1  -22   19    1 o  153.392   9.7479   60.798   7.8555   45.947   9.9613   85.225   12.775  129.850   14.197  176.934   13.362 -47.08359 19.49570 
1 1 1  -22   19    2 o  449.435   13.192  549.775   32.038   0.0000   0.0000  549.775   32.038  ?   ?   449.435   13.192      ?      ? 
1 1 1  -22   19    3 o  158.224   10.343   68.609   8.7948   73.423   12.126   63.266   12.775  164.201   13.666  152.246   15.528 11.95465 20.68562 
1 1 1  -22   19    4 o  329.929   8.4828  294.619   15.085  313.964   22.330  278.378   20.459  339.821   12.160  320.037   11.830 19.78366 16.96555 
1 1 1  -22   19    5 o  309.610   8.4559  260.599   14.146  257.207   20.043  263.964   19.967  307.587   12.059  311.633   11.857 -4.045898 16.91189 
1 1 1  -22   19    6 o  260.383   8.4270  184.109   11.851  177.342   16.458  191.396   17.079  255.419   11.924  265.348   11.911 -9.929565 16.85397 
1 1 1  -22   19    7 o  352.870   8.6061  338.422   16.405  345.270   23.565  331.982   22.852  356.320   12.239  349.421   12.103 6.899048 17.21212 
1 1 1  -22   19    8 o  233.515   8.7420  148.050   11.017  158.874   15.931  138.131   15.252  241.700   12.198  225.330   12.526 16.37041 17.48391 
1 1 1  -22   19    9 o  317.418   8.4779  273.971   14.541  277.477   20.608  270.496   20.520  319.449   11.939  315.387   12.040 4.061798 16.95577 
1 1 1  -22   19   10 o   95.955   14.313   28.582   7.3478   13.223   11.419   39.436   9.5992   71.695   24.516  120.215   14.777 -48.51966 28.62538 
1 1 1  -22   19   11 o  442.647   7.0771  532.246   16.907  500.798   23.876  563.870   23.943  429.465   10.288  455.828   9.7207 -26.36319 14.15424 
1 1 1  -22   19   12 o   92.415   15.202   24.789   7.4654   20.907   11.020   28.083   10.149   85.451   23.247   99.380   19.596 -13.92917 30.40443 
1 1 1  -22   19   13 o  339.465   9.1478  319.854   14.839  301.126   28.252  326.989   17.438  331.793   15.758  347.137   9.2964 -15.34445 18.29557 
1 1 1  -22   19   14 o  481.148   10.181  628.874   26.470   0.0000   0.0000  628.874   26.470  ?   ?   481.148   10.181      ?      ? 
1 1 1  -22   19   15 o  115.207   15.466   42.046   8.7876   52.719   11.084   23.986   14.418  138.852   14.773   91.561   27.176 47.29115 30.93140 
1 1 1  -22   19   16 o  125.227   11.223   42.720   7.5655   48.253   11.178   38.043   10.277  132.693   15.590  117.761   16.150 14.93227 22.44677 
1 1 1  -22   19   17 o  292.918   6.7486  231.581   10.604  245.510   16.173  221.077   14.045  300.520   9.9593  285.317   9.1098 15.20282 13.49722 
1 1 1  -22   19   18 o  192.122   8.3462  101.621   8.5739   87.747   12.397  114.342   11.871  179.277   12.797  204.967   10.718 -25.69016 16.69237 
1 1 1  -22   19   19 o  173.758   11.900   82.313   11.173   0.0000   0.0000   82.313   11.173  ?   ?   173.758   11.900      ?      ? 
1 1 1  -22   19   20 o   70.649   19.930   8.4977   10.956   5.2455   19.622   9.9707   13.206   72.759   30.248   68.540   25.960 4.219093 39.86006 
1 1 1  -22   19   21 o  192.663   12.797  103.683   12.862   97.725   20.772  107.387   16.379  187.530   20.499  197.795   15.324 -10.26483 25.59366 
1 1 1  -22   19   22 o  187.052   12.813   97.968   12.367   92.613   20.491  101.036   15.510  182.286   20.803  191.818   14.964 -9.532059 25.62589 
1 1 1  -22   19   23 o  230.606   7.1375  144.977   8.8395  143.550   13.219  146.130   11.889  229.473   10.660  231.739   9.4939 -2.266373 14.27499 
1 1 1  -22   19   24 o  197.862   7.7308  106.489   8.2169  110.177   12.395  103.597   10.975  200.816   11.422  194.908   10.421 5.908203 15.46157 
1 1 1  -22   19   25 o  109.460   11.786   32.881   6.9298   36.084   10.526   30.431   9.2062  114.053   17.080  104.868   16.246 9.184761 23.57254 
1 1 1  -22   19   26 o  263.134   6.7627  188.199   9.5177  192.202   14.604  185.242   12.549  265.408   10.183  260.859   8.9025 4.548645 13.52547 
1 1 1  -22   19   27 o  253.677   6.9070  172.127   9.3677  200.109   14.598  152.536   12.214  270.816   9.9753  236.538   9.5561 34.27721 13.81400 
1 1 1  -22   19   28 o   51.490   14.765   2.4103   6.5954   7.6472   9.7049  -2.0840   8.9907   59.053   22.281   43.928   19.379 15.12534 29.53012 
1 1 1  -22   19   29 o  134.384   9.8338   49.169   7.0671   54.537   10.990   45.384   9.2280  140.432   14.482  128.336   13.307 12.09534 19.66752 
1 1 1  -22   19   30 o  223.585   7.1205  137.159   8.4990  134.157   12.990  139.407   11.238  221.209   10.867  225.960   9.2041 -4.750671 14.24099 
1 1 1  -22   19   31 o  139.895   9.3304   53.106   6.9873   62.936   10.768   45.956   9.1832  150.866   13.208  128.924   13.182 21.94205 18.66072 
1 1 1  -22   19   32 f  221.438   7.0600  135.016   8.4029  124.386   12.187  144.650   11.602  212.895   10.593  229.981   9.3356 -17.08661 14.11994 
1 1 1  -22   19   33 o   68.811   15.327   13.765   6.3828   12.031   9.6648   15.107   8.5003   66.017   22.555   71.605   20.760 -5.588074 30.65473 
1 1 1  -22   19   34 f  248.447   6.7607  168.657   8.9856  173.060   13.787  165.406   11.848  251.024   10.164  245.870   8.9174 5.154327 13.52130 
1 1 1  -22   19   35 o   60.772   15.391   9.7789   6.3968   8.1802   10.033   10.874   8.3036   59.341   22.591   62.204   20.908 -2.863609 30.78124 
1 1 1  -22   19   36 o   51.175   14.608   3.4962   6.2709   7.7709   9.6331   0.3526   8.2610   57.989   22.122   44.361   19.083 13.62828 29.21519 
1 1 1  -22   19   37 o  120.659   10.527   40.790   6.7724   42.711   10.557   39.446   8.8282  122.693   15.924  118.625   13.772 4.067978 21.05351 
1 1 1  -22   19   38 o   57.392   15.214   8.1952   6.3936   5.9370   10.037   9.7371   8.2940   55.362   22.147   59.421   20.864 -4.058941 30.42713 
1 1 1  -22   19   39 o  190.912   7.5344  102.199   7.5868   94.671   11.840  107.444   9.8821  184.294   11.889  197.530   9.2583 -13.23621 15.06882 
1 1 1  -22   19   40 o   56.451   12.844   3.9450   6.4762 -18.0289   10.103   19.272   8.4378   33.509   16.427   79.393   19.749 -45.88450 25.68783 
1 1 1  -22   19   41 o  152.042   8.7474   63.478   7.0442   72.214   11.386   58.061   8.9660  159.939   13.174  144.146   11.511 15.79295 17.49480 
1 1 1  -22   19   42 f   60.394   14.724   10.432   6.3773   1.9360   10.450   15.475   8.0503   50.115   21.508   70.673   20.116 -20.55756 29.44887 
1 1 1  -22   19   43 o  124.823   10.420   44.083   6.9718   51.763   10.662   38.346   9.2151  134.185   14.704  115.461   14.770 18.72395 20.84095 
1 1 1  -22   19   44 o   68.749   13.922   10.741   6.7840   28.799   10.351  -2.8551   8.9820   95.989   20.575   41.509   18.761 54.47961 27.84391 
1 1 1  -22   19   45 o  123.748   11.790   47.897   7.1121   35.268   11.212   56.398   9.1997  106.271   20.265  141.225   12.055 -34.95394 23.57941 
1 1 1  -22   19   46 o  100.934   13.542   36.438   7.1235   13.299   11.031   52.987   9.3294   65.618   23.937  136.251   12.671 -70.63347 27.08438 
1 1 1  -22   19   47 o   74.169   15.845   17.273   6.8501   23.956   10.962   12.990   8.7744   84.338   23.287   64.001   21.493 20.33704 31.68918 
1 1 1  -22   19   48 o   90.330   15.011   26.969   7.1501   29.608   10.932   24.996   9.4523   93.639   21.981   87.021   20.448 6.617523 30.02160 
1 1 1  -22   19   49 o   65.559   19.186   10.850   10.612   19.795   18.171   6.2207   13.072   74.374   29.783   56.744   24.196 17.63045 38.37271 
1 1 1  -22   19   50 o   73.125   20.004   12.743   11.487   35.991   19.681   0.7322   14.146   93.273   32.174   52.977   23.779 40.29577 40.00745 
1 1 1  -22   19   51 o   70.679   27.988   20.881   15.875   20.881   15.875   0.0000   0.0000   70.679   27.988  ?   ?       ?      ? 
1 1 1  -22   19   52 o   53.323   16.680   1.5571   10.199 -11.9302   14.228   15.813   14.628   42.209   20.417   64.436   26.383 -22.22684 33.36093 
1 1 1  -22   19   53 o   42.633   14.484  -9.6750   9.6643  -6.8919   14.251 -12.0450   13.150   44.897   21.374   40.370   19.552 4.527302 28.96811 
1 1 1  -22   19   54 o   44.398   14.130   1.4745   7.2618  -3.8507   11.576   4.9302   9.3250   41.852   19.727   46.943   20.234 -5.091518 28.25908 
1 1 1  -22   20    1 o   63.227   16.394   9.0562   7.2821   8.8671   9.6697   9.3041   11.068   61.808   22.432   64.646   23.913 -2.838428 32.78767 
1 1 1  -22   20    2 o  145.835   11.182   58.566   8.7221   68.288   12.366   48.941   12.304  158.105   14.474  133.565   17.048 24.54097 22.36352 
1 1 1  -22   20    3 o  181.870   8.6868   89.162   8.4844   98.423   12.905   82.112   11.260  190.070   12.565  173.671   11.998 16.39883 17.37350 
1 1 1  -22   20    4 o   65.575   14.417   8.2607   6.9310   22.216   9.9809  -4.7371   9.6323   87.919   21.245   43.231   19.493 44.68867 28.83317 
1 1 1  -22   20    5 o   87.258   14.802   21.732   6.9104   25.474   10.087   18.421   9.4866   94.317   20.385   80.198   21.466 14.11870 29.60336 
1 1 1  -22   20    6 o  440.337   9.7326  526.576   23.158   0.0000   0.0000  526.576   23.158  ?   ?   440.337   9.7326      ?      ? 
1 1 1  -22   20    7 o  316.738   6.7295  273.130   11.479  261.726   16.715  283.310   15.792  310.388   9.9660  323.088   9.0457 -12.70041 13.45899 
1 1 1  -22   20    8 o  300.759   9.2106  245.572   14.969   0.0000   0.0000  245.572   14.969  ?   ?   300.759   9.2106      ?      ? 
1 1 1  -22   20    9 o  161.142   9.0155   70.592   7.8335   77.362   11.417   64.570   10.768  168.443   12.543  153.841   12.953 14.60182 18.03099 
1 1 1  -22   20   10 o  143.264   9.6566   55.506   7.4359   62.063   11.235   50.395   9.9190  150.700   13.797  135.828   13.514 14.87137 19.31311 
1 1 1  -22   20   11 o  237.253   9.9068  153.007   12.701   0.0000   0.0000  153.007   12.701  ?   ?   237.253   9.9068      ?      ? 
1 1 1  -22   20   12 f  114.038   11.806   35.942   7.2203   33.957   10.707   37.598   9.7781  110.993   17.852  117.083   15.455 -6.089653 23.61259 
1 1 1  -22   20   13 o  188.630   8.2344   95.814   8.3099  104.972   12.885   89.292   10.873  196.182   12.154  181.078   11.113 15.10486 16.46873 
1 1 1  -22   20   14 o  241.742   11.558  173.492   11.857  139.505   25.487  182.880   13.395  224.074   21.049  259.411   9.5561 -35.33755 23.11677 
1 1 1  -22   20   15 o  123.099   11.569   41.662   7.6871   44.020   10.908   39.336   10.835  126.612   15.943  119.585   16.768 7.026382 23.13725 
1 1 1  -22   20   16 o   97.755   16.552   25.173   8.5963   16.520   10.719   40.766   14.389   76.635   23.581  118.875   23.234 -42.23988 33.10363 
1 1 1  -22   20   17 o  223.080   7.5387  135.479   9.0593  135.754   13.352  135.243   12.332  223.223   11.069  222.937   10.237 0.2862396 15.07732 
1 1 1  -22   20   18 f  294.186   9.5286  217.265   12.649  273.874   28.044  202.808   14.172  315.305   16.460  273.067   9.6047 42.23816 19.05718 
1 1 1  -22   20   19 o   77.175   20.668   8.9924   11.614   24.955   20.384   1.3196   14.132   94.995   32.744   59.355   25.230 35.64085 41.33681 
1 1 1  -22   20   20 o   55.327   17.984  -9.3121   11.651 -14.5833   20.571  -6.8221   14.138   58.877   27.267   51.776   23.457 7.101269 35.96790 
1 1 1  -22   20   21 o   96.750   13.856   27.164   6.9794   24.733   10.175   29.324   9.5919   92.201   20.904  101.299   18.192 -9.097656 27.71117 
1 1 1  -22   20   22 o  167.460   8.9932   76.331   8.0777   81.436   12.338   72.502   10.686  172.217   13.258  162.704   12.155 9.512878 17.98647 
1 1 1  -22   20   23 o   79.020   15.318   17.844   6.9882   24.929   10.094   11.323   9.6840   92.480   20.714   65.560   22.571 26.91904 30.63564 
1 1 1  -22   20   24 o  162.327   8.5675   72.146   7.4752   73.000   11.188   71.457   10.047  163.079   12.696  161.574   11.507 1.505722 17.13504 
1 1 1  -22   20   25 o   74.571   14.630   16.285   7.0125   3.0832   10.806   25.891   9.2171   54.444   22.524   94.698   18.676 -40.25378 29.25975 
1 1 1  -22   20   26 o  177.482   8.2993   86.071   7.8864   88.710   12.071   84.105   10.417  179.686   12.432  175.278   10.998 4.408783 16.59870 
1 1 1  -22   20   27 o  156.212   9.0494   66.253   7.5697   74.516   11.706   60.315   9.9237  164.371   13.180  148.053   12.404 16.31749 18.09871 
1 1 1  -22   20   28 o   69.004   15.473   13.558   6.4213   14.030   9.8842   13.213   8.4465   70.224   22.782   67.784   20.944 2.439644 30.94687 
1 1 1  -22   20   29 f   82.448   14.574   19.134   6.7323   30.028   10.308   11.028   8.8906  101.319   19.535   63.577   21.633 37.74187 29.14830 
1 1 1  -22   20   30 o   85.172   14.419   20.989   6.5322   26.370   10.054   17.058   8.5932   94.448   20.303   75.896   20.479 18.55232 28.83778 
1 1 1  -22   20   31 o   46.604   14.105  -2.2806   6.5486   6.1464   10.193  -8.2044   8.5458   56.861   22.455   36.346   17.075 20.51509 28.20979 
1 1 1  -22   20   32 o  103.940   12.122   30.465   6.7891   32.242   10.072   28.985   9.1908  106.611   17.484  101.269   16.795 5.342110 24.24372 
1 1 1  -22   20   33 o   62.302   14.358   9.7395   6.5806  -2.2252   10.050   18.719   8.7067   45.695   20.307   78.909   20.302 -33.21408 28.71517 
1 1 1  -22   20   34 o   65.393   14.981   12.362   6.4137   5.9651   9.8698   17.037   8.4381   55.548   22.046   75.239   20.290 -19.69077 29.96174 
1 1 1  -22   20   35 o   91.463   14.277   25.579   6.9560   20.375   10.658   29.440   9.1810   81.314   23.146  101.611   16.721 -20.29639 28.55423 
1 1 1  -22   20   36 o   59.842   15.169   9.5004   6.4473   4.9719   9.7883   12.971   8.5686   53.567   21.715   66.116   21.188 -12.54861 30.33861 
1 1 1  -22   20   37 o   99.621   13.381   30.547   6.8780   22.141   10.270   37.383   9.2616   84.438   22.211  114.804   14.929 -30.36620 26.76219 
1 1 1  -22   20   38 o  142.337   9.2557   56.033   7.0592   64.536   10.867   49.826   9.2850  151.449   13.279  133.225   12.898 18.22418 18.51144 
1 1 1  -22   20   39 o  119.207   11.828   42.739   7.0943   35.817   11.129   47.477   9.2080  108.673   19.675  129.741   13.134 -21.06857 23.65623 
1 1 1  -22   20   40 o  118.612   10.950   39.168   6.9032   49.396   10.970   32.463   8.8822  131.009   15.496  106.214   15.476 24.79449 21.90054 
1 1 1  -22   20   41 o   65.510   15.533   12.225   6.4671   17.846   10.290   8.5556   8.3144   74.706   23.123   56.314   20.745 18.39257 31.06507 
1 1 1  -22   20   42 f   54.346   15.455   6.2240   6.8057   5.8094   11.145   6.4705   8.5942   55.728   22.948   52.964   20.710 2.763805 30.91089 
1 1 1  -22   20   43 o  104.174   13.042   31.256   7.0438   41.114   11.488   25.318   8.9164  117.622   18.075   90.725   18.805 26.89764 26.08325 
1 1 1  -22   20   44 o  108.316   13.466   37.526   7.3228   29.371   11.490   43.104   9.5029   94.616   22.752  122.017   14.413 -27.40163 26.93284 
1 1 1  -22   20   45 o  122.868   11.079   43.639   7.2969   51.051   11.162   38.109   9.6425  131.833   15.669  113.904   15.666 17.92837 22.15739 
1 1 1  -22   20   46 o  132.429   11.036   54.563   7.4374   40.115   11.388   65.309   9.8214  113.922   18.499  150.936   12.042 -37.01434 22.07289 
1 1 1  -22   20   47 o   37.730   12.556  -8.9289   6.9390 -19.3645   10.708  -1.3753   9.1105   33.254   16.419   42.206   19.001 -8.951637 25.11275 
1 1 1  -22   20   48 o  106.741   18.442   44.769   11.312   25.856   19.404   54.505   13.922   81.355   31.309  132.127   19.499 -50.77155 36.88494 
1 1 1  -22   20   49 o   45.509   22.216 -20.2950   17.910 -20.2950   17.910   0.0000   0.0000   45.509   22.216  ?   ?       ?      ? 
1 1 1  -22   20   50 o   42.406   14.676 -15.9718   11.114 -22.5113   15.057  -8.1441   16.473   38.354   19.032   46.458   22.346 -8.103333 29.35279 
1 1 1  -22   20   51 o   56.953   17.440   8.2325   9.9344   5.3716   15.179   10.376   13.139   55.289   24.737   58.616   24.589 -3.327324 34.87917 
1 1 1  -22   20   52 o   48.247   15.511  -0.7961   8.0448   12.631   14.766  -6.4643   9.5938   59.495   25.551   37.000   17.593 22.49497 31.02155 
1 1 1  -22   21    1 o  262.695   9.7522  187.586   13.843   0.0000   0.0000  187.586   13.843  ?   ?   262.695   9.7522      ?      ? 
1 1 1  -22   21    2 o  325.302   6.8667  287.725   12.038  286.438   17.660  288.842   16.453  324.549   10.070  326.056   9.3382 -1.506683 13.73349 
1 1 1  -22   21    3 o  377.049   9.5402  386.348   19.438   0.0000   0.0000  386.348   19.438  ?   ?   377.049   9.5402      ?      ? 
1 1 1  -22   21    4 o  179.866   8.2309   88.059   7.9239   72.589   10.924  105.239   11.512  163.110   12.394  196.622   10.835 -33.51187 16.46179 
1 1 1  -22   21    5 o   81.888   15.369   19.175   6.9714   23.156   10.101   15.553   9.6338   89.562   21.200   74.213   22.257 15.34954 30.73753 
1 1 1  -22   21    6 o  105.785   12.852   31.411   7.1661   28.873   10.181   33.902   10.088  100.558   19.441  111.012   16.817 -10.45354 25.70497 
1 1 1  -22   21    7 o  420.584   9.5995  480.772   21.817   0.0000   0.0000  480.772   21.817  ?   ?   420.584   9.5995      ?      ? 
1 1 1  -22   21    8 o   86.998   14.768   22.050   6.9720   15.894   9.9817   27.915   9.7425   75.049   22.688   98.948   18.911 -23.89870 29.53580 
1 1 1  -22   21    9 o   55.382   14.895   3.0600   6.8595   12.744   9.9916  -5.5736   9.4341   68.998   22.931   41.766   19.014 27.23286 29.78931 
1 1 1  -22   21   10 o  203.523   10.746  112.782   11.818   0.0000   0.0000  112.782   11.818  ?   ?   203.523   10.746      ?      ? 
1 1 1  -22   21   11 o  284.538   6.9500  220.188   10.613  220.312   15.970  220.089   14.202  284.500   10.388  284.576   9.2357 -0.7617188E-01 13.90001 
1 1 1  -22   21   12 f  200.487   8.0515  110.683   8.6348   97.984   12.621  121.859   11.840  189.410   12.331  211.564   10.356 -22.15445 16.10301 
1 1 1  -22   21   13 o  124.786   11.159   43.312   7.3676   53.777   10.489   33.123   10.351  140.087   13.857  109.486   17.496 30.60085 22.31833 
1 1 1  -22   21   14 o   55.146   15.726   3.7976   7.2052   6.8657   10.961   1.4635   9.5609   60.337   23.445   49.955   20.967 10.38176 31.45267 
1 1 1  -22   21   15 o  213.760   12.522  134.274   10.977  114.572   25.016  138.971   12.215  201.645   22.958  225.876   10.008 -24.23128 25.04469 
1 1 1  -22   21   16 o   77.165   21.612   10.257   12.388   16.493   22.890   7.6734   14.732   86.996   33.858   67.333   26.868 19.66312 43.22324 
1 1 1  -22   21   17 o  169.301   16.693   88.437   13.415   63.806   22.252  102.500   16.814  146.064   29.213  192.538   16.161 -46.47420 33.38563 
1 1 1  -22   21   18 o   85.687   18.351   19.375   12.128 -17.0315   20.726   38.333   14.957   57.502   26.878  113.871   24.993 -56.36971 36.70261 
1 1 1  -22   21   19 o   99.482   14.189   28.986   7.4483   20.329   10.717   37.076   10.360   83.323   23.032  115.641   16.578 -32.31770 28.37833 
1 1 1  -22   21   20 o   53.311   15.266   3.7676   6.9095   0.3909   10.574   6.2834   9.1275   50.703   21.694   55.918   21.485 -5.214760 30.53293 
1 1 1  -22   21   21 o   73.616   14.484   14.554   7.0094   1.5887   10.047   26.848   9.7836   50.955   21.445   96.278   19.474 -45.32312 28.96823 
1 1 1  -22   21   22 f  199.266   7.9878  108.576   8.5104  109.694   13.040  107.747   11.232  199.973   12.068  198.560   10.469 1.412918 15.97551 
1 1 1  -22   21   23 o  158.903   8.8117   69.610   7.5419   65.560   10.887   73.347   10.458  154.314   13.056  163.493   11.838 -9.179169 17.62336 
1 1 1  -22   21   24 o   90.897   14.766   23.997   7.0860   28.482   10.689   20.481   9.4643   98.491   20.740   83.302   21.024 15.18954 29.53250 
1 1 1  -22   21   25 o   59.940   15.610   8.6659   6.6686   6.8442   10.224   10.015   8.7976   58.252   22.640   61.628   21.497 -3.376228 31.22005 
1 1 1  -22   21   26 o  103.101   13.461   31.670   7.1332   24.668   10.802   37.085   9.4991   90.856   22.192  115.347   15.240 -24.49158 26.92118 
1 1 1  -22   21   27 o  187.577   8.1918   94.923   8.2185  114.574   12.667   80.637   10.800  204.036   11.489  171.118   11.680 32.91772 16.38353 
1 1 1  -22   21   28 o  136.098   10.033   51.120   7.3462   56.015   11.042   47.233   9.8398  141.836   14.407  130.360   13.969 11.47632 20.06700 
1 1 1  -22   21   29 o  217.486   7.3331  129.524   8.5406  133.094   13.052  126.851   11.295  219.878   10.985  215.094   9.7176 4.784271 14.66618 
1 1 1  -22   21   30 o   75.456   14.758   14.806   6.7015   28.345   10.679   6.0117   8.6072   97.240   20.943   53.671   20.797 43.56875 29.51501 
1 1 1  -22   21   31 o   94.195   14.226   26.278   6.8913   27.977   11.030   25.190   8.8258   96.024   21.761   92.367   18.330 3.656769 28.45183 
1 1 1  -22   21   32 o   44.676   13.910  -1.3280   6.5377  -3.9508   9.9866   0.6391   8.6484   43.713   19.767   45.640   19.576 -1.927734 27.82010 
1 1 1  -22   21   33 o   35.613   12.103 -13.0878   6.6867  -8.7507   10.157 -16.4053   8.8832   39.838   18.683   31.389   15.391 8.448893 24.20616 
1 1 1  -22   21   34 o  212.843   7.4638  125.507   8.5006  124.485   12.917  126.288   11.290  211.712   11.291  213.975   9.7641 -2.263000 14.92754 
1 1 1  -22   21   35 o   79.876   15.332   19.974   6.8276   16.872   10.416   22.311   9.0408   74.112   23.317   85.639   19.913 -11.52701 30.66339 
1 1 1  -22   21   36 o  100.019   13.460   29.460   7.0373   43.448   10.563   18.295   9.4369  123.206   15.865   76.832   21.749 46.37432 26.92040 
1 1 1  -22   21   37 o   87.368   15.035   23.262   6.9559   27.441   10.894   20.386   9.0382   93.631   21.919   81.105   20.587 12.52657 30.07081 
1 1 1  -22   21   38 o  226.195   7.3600  142.435   8.8745  141.343   13.678  143.230   11.663  224.900   11.255  227.489   9.4874 -2.589325 14.72008 
1 1 1  -22   21   39 o   61.372   15.996   10.528   6.9301   10.325   10.832   10.669   9.0174   61.868   23.492   60.877   21.716 0.9916801 31.99154 
1 1 1  -22   21   40 o   44.598   13.990  -1.8298   6.6951   2.5112   10.280  -5.0276   8.8230   50.217   21.436   38.979   17.983 11.23788 27.98000 
1 1 1  -22   21   41 o   56.959   15.513   6.6396   6.9710   13.903   10.646   1.1881   9.2233   67.364   23.639   46.554   20.095 20.80963 31.02580 
1 1 1  -22   21   42 o   57.329   15.389   6.2148   6.8231   16.406   11.041  -0.0814   8.6784   71.112   24.109   43.546   19.131 27.56665 30.77732 
1 1 1  -22   21   43 o   92.096   14.745   27.079   7.0400   27.556   11.256   26.773   9.0228   91.353   22.857   92.839   18.633 -1.485413 29.48967 
1 1 1  -22   21   44 o  139.311   10.211   56.926   7.5205   55.496   11.794   57.907   9.7629  136.657   15.971  141.966   12.726 -5.309387 20.42155 
1 1 1  -22   21   45 o  116.671   12.669   43.238   7.5407   35.139   11.195   49.964   10.202  103.387   20.761  129.955   14.528 -26.56830 25.33899 
1 1 1  -22   21   46 o   56.920   26.319  -2.0624   19.056  -2.0624   19.056   0.0000   0.0000   56.920   26.319  ?   ?       ?      ? 
1 1 1  -22   21   47 o   55.531   17.521   2.2034   10.728  -4.8919   17.858   6.2095   13.419   53.838   25.093   57.225   24.461 -3.386940 35.04248 
1 1 1  -22   21   49 o   94.072   16.334   34.151   11.173   63.311   15.653   3.8626   15.953  134.447   21.546   53.698   24.555 80.74856 32.66782 
1 1 1  -22   21   50 o   51.572   16.545   1.1045   10.166   8.8153   14.671  -6.0180   14.100   57.588   25.098   45.555   21.563 12.03320 33.08910 
1 1 1  -22   21   51 o   48.917   14.941   3.6105   7.3133   12.883   11.507  -2.6732   9.4725   58.405   23.590   39.430   18.343 18.97561 29.88247 
1 1 1  -22   22    1 o  135.580   9.8503   50.584   7.1840   52.141   9.8021   48.778   10.560  137.954   13.149  133.205   14.670 4.748703 19.70069 
1 1 1  -22   22    2 o  125.307   10.526   43.236   7.1142   44.218   9.8386   42.159   10.299  126.878   14.350  123.735   15.404 3.142860 21.05238 
1 1 1  -22   22    3 o  239.614   7.3469  155.507   9.4728  166.865   14.212  146.427   12.707  247.389   10.631  231.838   10.143 15.55116 14.69384 
1 1 1  -22   22    4 o  118.530   11.591   38.906   7.3962   42.236   10.383   35.475   10.538  123.827   15.517  113.234   17.223 10.59306 23.18231 
1 1 1  -22   22    5 o  132.466   10.647   48.312   7.5719   41.419   10.539   55.665   10.886  122.554   15.915  142.378   14.149 -19.82425 21.29473 
1 1 1  -22   22    6 o  252.710   7.0861  173.750   9.6666  178.761   14.060  169.257   13.312  256.133   10.159  249.288   9.8822 6.845093 14.17226 
1 1 1  -22   22    7 o  188.766   8.2199   96.695   8.3552  106.229   12.451   88.886   11.269  197.160   11.687  180.371   11.562 16.78926 16.43988 
1 1 1  -22   22    8 o  193.074   8.4455  101.645   8.7827  105.516   13.046   98.437   11.877  196.356   12.295  189.792   11.581 6.564285 16.89091 
1 1 1  -22   22    9 f  113.581   12.426   36.296   7.4150   40.993   10.590   31.777   10.386  121.810   16.088  105.351   18.940 16.45920 24.85108 
1 1 1  -22   22   10 o  208.008   7.8294  118.475   8.7682  107.146   12.419  129.734   12.381  197.956   11.610  218.059   10.507 -20.10303 15.65889 
1 1 1  -22   22   11 o   44.997   13.459  -3.7793   6.5395   6.5000   8.7620 -16.7055   9.8255   55.715   21.135   34.278   16.671 21.43684 26.91882 
1 1 1  -22   22   12 o  103.099   13.368   30.517   7.1721   29.814   10.155   31.217   10.131  101.809   19.162  104.388   18.645 -2.579582 26.73557 
1 1 1  -22   22   13 o  135.050   10.082   50.213   7.3520   50.474   10.620   49.973   10.188  135.340   14.522  134.761   13.990 0.5783539 20.16476 
1 1 1  -22   22   14 o  109.600   19.778   38.382   12.882   16.155   21.234   51.329   16.206   84.533   32.691  134.667   22.270 -50.13451 39.55553 
1 1 1  -22   22   15 o   90.478   21.838   20.685   12.351   32.793   21.441   14.673   15.109  104.421   33.521   76.535   28.000 27.88612 43.67682 
1 1 1  -22   22   16 o  205.820   14.411  122.408   15.330  106.194   24.567  132.748   19.619  192.973   23.560  218.667   16.604 -25.69354 28.82269 
1 1 1  -22   22   17 o   57.943   17.049   3.3644   8.8025   7.7404   10.493  -7.0270   16.170   60.481   23.085   55.405   25.094 5.076977 34.09744 
1 1 1  -22   22   18 o  161.927   11.716   71.693   9.7026   69.224   11.851   76.712   16.898  158.463   13.840  165.391   18.908 -6.928421 23.43154 
1 1 1  -22   22   19 o   50.758   15.143   1.2683   7.1424   3.5301   10.329  -0.8043   9.8874   53.955   22.140   47.560   20.667 6.394257 30.28671 
1 1 1  -22   22   20 o  215.290   7.6129  126.313   8.8312  135.719   13.107  118.493   11.951  222.557   10.899  208.024   10.632 14.53310 15.22571 
1 1 1  -22   22   21 o   83.475   13.387   17.068   7.3805   40.348   11.152  -1.0756   9.8451  119.963   17.203   46.988   20.517 72.97479 26.77469 
1 1 1  -22   22   22 o  272.984   6.8557  202.550   10.048  215.140   15.261  192.915   13.350  280.289   10.076  265.680   9.2992 14.60843 13.71144 
1 1 1  -22   22   23 o  142.441   10.117   56.216   7.7502   57.881   11.602   54.875   10.414  144.178   14.892  140.705   13.698 3.472702 20.23357 
1 1 1  -22   22   24 o  105.265   12.897   31.732   7.0946   38.821   10.352   25.454   9.7423  117.667   16.281   92.863   20.005 24.80386 25.79311 
1 1 1  -22   22   25 o   63.557   15.622   10.162   6.7369   15.430   9.9928   5.7722   9.1215   72.657   22.836   54.456   21.324 18.20059 31.24389 
1 1 1  -22   22   26 o   35.875   12.219 -15.0004   6.9604  -8.7011   10.393 -20.1238   9.3729   40.819   19.064   30.931   15.289 9.887718 24.43778 
1 1 1  -22   22   27 f   63.587   16.026   10.616   7.1057   6.6959   10.462   13.973   9.6812   57.833   22.778   69.341   22.550 -11.50824 32.05213 
1 1 1  -22   22   28 o  169.929   11.317   79.831   10.392   0.0000   0.0000   79.831   10.392  ?   ?   169.929   11.317      ?      ? 
1 1 1  -22   22   29 o   96.951   13.484   26.730   6.8789   36.673   10.648   19.608   9.0119  113.347   17.385   80.554   20.617 32.79324 26.96834 
1 1 1  -22   22   30 o   99.490   13.297   28.829   6.9791   34.088   10.271   24.320   9.5121  109.129   17.418   89.851   20.095 19.27762 26.59316 
1 1 1  -22   22   31 o   64.803   14.461   11.256   6.6933  -0.6548   10.060   20.717   8.9660   47.079   20.643   82.527   20.256 -35.44763 28.92113 
1 1 1  -22   22   32 o   89.768   14.835   24.596   7.0070   25.447   10.760   23.970   9.2329   90.599   22.162   88.937   19.728 1.661263 29.67074 
1 1 1  -22   22   33 o  204.731   7.7996  115.554   8.5778  123.710   13.002  109.270   11.414  210.889   11.410  198.572   10.637 12.31714 15.59923 
1 1 1  -22   22   34 f  177.300   8.4022   87.997   7.9690   86.542   12.090   89.115   10.597  175.562   12.744  179.038   10.953 -3.476334 16.80430 
1 1 1  -22   22   35 o  105.012   13.538   33.061   7.4320   32.752   11.310   33.296   9.8593  102.958   21.040  107.066   17.041 -4.108383 27.07576 
1 1 1  -22   22   36 o   40.951   12.810  -7.9251   6.7126 -26.9828   10.480   5.3338   8.7412   30.240   15.141   51.662   20.668 -21.42281 25.62040 
1 1 1  -22   22   37 o  112.952   12.182   36.866   7.1844   45.964   11.145   30.397   9.3977  125.594   16.421  100.311   17.999 25.28383 24.36438 
1 1 1  -22   22   38 o   74.287   15.893   16.152   6.9642   25.223   11.328   10.641   8.8297   88.027   23.410   60.548   21.501 27.47945 31.78509 
1 1 1  -22   22   39 o   95.789   14.632   29.582   7.3861   22.815   11.565   34.243   9.5984   83.298   24.234  108.280   16.405 -24.98142 29.26447 
1 1 1  -22   22   40 o   45.836   14.203  -2.3904   6.8314   6.5691   10.826  -8.3186   8.8060   55.757   22.748   35.914   17.012 19.84367 28.40546 
1 1 1  -22   22   41 o   76.001   16.022   19.107   7.0663   17.917   10.837   19.987   9.3201   73.545   23.855   78.457   21.394 -4.912239 32.04301 
1 1 1  -22   22   42 o  147.533   9.9410   62.110   7.8352   70.684   12.257   56.187   10.188  155.605   14.578  139.462   13.520 16.14334 19.88194 
1 1 1  -22   22   43 o  122.901   11.772   45.442   7.7336   48.822   11.981   43.028   10.125  125.985   17.599  119.816   15.639 6.168701 23.54378 
1 1 1  -22   22   44 o  201.658   8.2325  115.617   8.8698  120.107   13.697  112.374   11.640  204.266   12.409  199.049   10.822 5.217728 16.46507 
1 1 1  -22   22   45 o   48.452   16.282 -10.7766   10.921  -3.5766   18.211 -14.8198   13.647   55.217   25.601   41.686   20.124 13.53131 32.56352 
1 1 1  -22   22   47 o   92.362   27.951   37.568   15.143   37.568   15.143   0.0000   0.0000   92.362   27.951  ?   ?       ?      ? 
1 1 1  -22   22   48 o   46.964   15.654  -5.4069   10.239  -8.1622   13.820  -2.0541   15.245   44.074   21.001   49.855   23.219 -5.781452 31.30766 
1 1 1  -22   22   49 o   47.026   14.031   0.1543   7.4940 -18.8943   11.735   13.273   9.7384   34.198   16.941   59.854   22.373 -25.65564 28.06287 
1 1 1  -22   23    1 o   82.211   15.076   19.811   6.7614   21.002   9.3675   18.515   9.7692   84.789   20.640   79.632   21.982 5.157288 30.15284 
1 1 1  -22   23    2 o  228.849   7.3806  142.271   9.1033  154.962   13.448  131.536   12.368  238.218   10.447  219.479   10.428 18.73854 14.76111 
1 1 1  -22   23    3 o  179.242   8.6410   87.441   8.3341   99.320   12.346   77.495   11.296  190.393   12.000  168.091   12.437 22.30139 17.28206 
1 1 1  -22   23    4 o  198.962   7.8188  108.205   8.4042  104.964   11.787  111.558   11.987  195.915   11.133  202.008   10.981 -6.093063 15.63762 
1 1 1  -22   23    5 o   67.043   15.854   12.121   6.8884   15.243   9.4003   8.4989   10.123   72.902   22.013   61.183   22.822 11.71889 31.70825 
1 1 1  -22   23    6 o  100.141   13.712   28.819   7.2256   35.716   10.302   22.140   10.137  113.402   16.811   86.881   21.667 26.52100 27.42382 
1 1 1  -22   23    7 o  102.345   13.171   29.883   7.0224   38.784   10.189   21.829   9.6920  118.325   15.936   86.365   20.976 31.95979 26.34277 
1 1 1  -22   23    8 o   74.005   15.665   15.777   6.7613   16.665   9.5099   14.869   9.6146   75.791   21.954   72.219   22.351 3.572548 31.32961 
1 1 1  -22   23    9 f   80.095   15.478   18.739   6.9525   22.055   9.8589   15.457   9.8060   86.737   21.211   73.453   22.546 13.28392 30.95521 
1 1 1  -22   23   10 o  162.279   12.939   72.377   11.346   72.377   11.346   0.0000   0.0000  162.279   12.939  ?   ?       ?      ? 
1 1 1  -22   23   11 o  113.667   19.172   36.678   9.5990   40.270   22.777   35.902   10.585  113.815   34.242  113.518   17.256 0.2973557 38.34413 
1 1 1  -22   23   12 o  133.109   19.881   58.548   14.115   29.122   22.231   78.423   18.270   99.485   34.201  166.732   20.278 -67.24683 39.76115 
1 1 1  -22   23   13 o  178.527   15.783   94.910   14.290   75.991   23.096  106.644   18.190  161.564   26.455  195.490   17.219 -33.92598 31.56565 
1 1 1  -22   23   14 o   77.049   21.898   8.9107   13.121   20.468   23.591   3.7342   15.788   90.158   34.565   63.939   26.895 26.21816 43.79573 
1 1 1  -22   23   15 o  168.346   8.9909   77.808   8.1545   86.731   11.876   69.850   11.216  177.530   12.380  159.161   13.041 18.36884 17.98172 
1 1 1  -22   23   16 o  126.720   11.167   44.662   7.6370   46.642   11.152   42.912   10.480  129.319   15.959  124.121   15.625 5.197998 22.33454 
1 1 1  -22   23   17 o   83.795   17.556   24.380   9.1794 -10.3919   23.595   30.581   9.9644   64.920   29.751  102.671   18.647 -37.75172 35.11170 
1 1 1  -22   23   18 o   79.776   18.363   18.197   8.6328   17.764   10.382   19.167   15.539   77.512   23.073   82.040   28.572 -4.528496 36.72517 
1 1 1  -22   23   19 o  207.099   9.7104  116.934   10.338  112.653   12.690  125.383   17.827  202.311   11.608  211.887   15.570 -9.576157 19.42072 
1 1 1  -22   23   20 o   41.136   13.289  -9.2068   6.7805   1.1446   10.430 -16.7838   8.9235   50.738   21.623   31.534   15.454 19.20469 26.57820 
1 1 1  -22   23   21 o  142.186   10.216   57.312   7.6929   48.727   11.463   64.348   10.377  131.810   16.093  152.561   12.587 -20.75134 20.43132 
1 1 1  -22   23   22 o   94.842   14.596   26.757   7.2895   22.149   10.171   31.624   10.453   85.851   21.865  103.832   19.341 -17.98088 29.19162 
1 1 1  -22   23   23 o  199.699   8.1472  110.364   8.7586  106.015   12.793  114.201   12.016  195.772   12.093  203.626   10.921 -7.854568 16.29435 
1 1 1  -22   23   24 o   96.398   14.367   27.713   7.2377   28.563   10.575   26.963   9.9266   97.670   20.682   95.125   19.949 2.544922 28.73470 
1 1 1  -22   23   25 o   72.391   16.031   15.285   7.0221   19.336   10.449   11.949   9.4828   79.634   22.997   65.148   22.341 14.48550 32.06183 
1 1 1  -22   23   26 o   36.995   12.402 -11.2273   6.7202  -5.7421   9.6693 -16.3525   9.3466   41.263   18.959   32.727   15.992 8.535164 24.80310 
1 1 1  -22   23   27 o   96.668   14.328   27.920   7.2283   30.820   10.728   25.509   9.7822  101.325   20.301   92.012   20.226 9.313095 28.65675 
1 1 1  -22   23   28 o  156.305   9.2931   68.284   7.8372   70.664   11.470   66.199   10.734  158.760   13.370  153.851   12.911 4.908890 18.58616 
1 1 1  -22   23   29 o   95.631   13.733   28.766   7.0717   13.712   10.165   42.884   9.8441   68.224   23.133  123.038   14.806 -54.81366 27.46541 
1 1 1  -22   23   30 o   74.282   15.799   16.597   6.9229   21.146   10.305   12.856   9.3458   82.426   22.505   66.138   22.182 16.28851 31.59884 
1 1 1  -22   23   31 o   64.558   16.085   11.858   6.9289   12.212   10.588   11.592   9.1636   65.639   23.519   63.477   21.951 2.161308 32.17093 
1 1 1  -22   23   32 o  148.314   9.7450   62.747   7.7250   57.960   11.505   66.677   10.425  142.533   14.937  154.096   12.519 -11.56253 19.48996 
1 1 1  -22   23   33 o  113.784   12.629   37.653   7.7356   42.001   11.513   34.075   10.444  119.762   17.790  107.806   17.929 11.95659 25.25747 
1 1 1  -22   23   34 o   61.554   15.953   10.274   7.2017   5.2541   10.639   14.519   9.7838   54.527   22.433   68.581   22.687 -14.05310 31.90542 
1 1 1  -22   23   35 o  226.804   7.6757  142.394   9.3410  155.798   14.275  132.357   12.353  235.796   11.203  217.812   10.495 17.98380 15.35143 
1 1 1  -22   23   36 o  155.763   9.5971   67.559   7.9279   77.496   12.768   61.325   10.114  164.374   14.375  147.151   12.719 17.22285 19.19427 
1 1 1  -22   23   37 o  111.063   13.144   36.086   7.5058   50.879   11.641   25.561   9.8195  131.974   16.324   90.153   20.607 41.82153 26.28863 
1 1 1  -22   23   38 o  118.919   12.560   43.242   7.6345   39.254   11.882   46.046   9.9637  111.783   20.423  126.054   14.628 -14.27110 25.12080 
1 1 1  -22   23   39 o   59.879   15.908   9.9823   7.3300   3.4429   11.675   14.237   9.4174   52.934   22.726   66.824   22.265 -13.88989 31.81531 
1 1 1  -22   23   40 o   61.440   15.883   11.070   7.2941   4.4305   11.024   16.240   9.7279   52.705   22.338   70.175   22.584 -17.47058 31.76518 
1 1 1  -22   23   41 o   59.251   15.141   6.3857   7.1840   21.964   11.184  -4.5558   9.3733   78.815   24.059   39.687   18.389 39.12761 30.28158 
1 1 1  -22   23   42 o  166.912   9.7452   81.346   8.6827   81.556   13.323   81.192   11.448  166.096   14.844  167.728   12.631 -1.632492 19.49042 
1 1 1  -22   23   43 o  161.939   23.901   87.320   20.915   87.320   20.915   0.0000   0.0000  161.939   23.901  ?   ?       ?      ? 
1 1 1  -22   23   46 o  166.428   13.250   90.176   11.886   97.117   16.913   83.401   16.709  173.847   18.004  159.008   19.447 14.83974 26.50093 
1 1 1  -22   23   47 o   58.576   16.673   11.181   8.1678   16.913   12.289   6.6459   10.932   65.465   24.983   51.687   22.085 13.77746 33.34521 
1 1 1  -22   23   48 o   77.562   17.330   24.812   8.1476   29.520   12.172   20.991   10.966   83.981   24.980   71.144   24.027 12.83789 34.65970 
1 1 1  -22   24    1 o   92.111   13.986   25.227   6.9735   34.695   9.7284   15.221   10.001  111.534   16.142   72.688   22.845 38.84586 27.97242 
1 1 1  -22   24    2 o   79.596   14.899   18.379   6.8074   10.993   9.4462   26.360   9.8189   64.269   22.283   94.924   19.784 -30.65525 29.79821 
1 1 1  -22   24    3 o   55.559   14.835   5.2431   6.6097   12.035   9.1775  -2.0761   9.5275   65.985   21.980   45.133   19.928 20.85165 29.66903 
1 1 1  -22   24    4 o  160.497   8.9070   70.948   7.6772   60.978   10.663   81.680   11.063  148.619   13.277  172.375   11.877 -23.75664 17.81408 
1 1 1  -22   24    5 o  183.568   8.5242   92.855   8.4395   87.919   12.067   97.581   11.808  178.661   12.499  188.474   11.594 -9.812714 17.04831 
1 1 1  -22   24    6 o  104.597   13.336   31.252   7.2567   22.537   9.8712   41.501   10.704   87.265   21.154  121.930   16.246 -34.66500 26.67252 
1 1 1  -22   24    7 o   58.674   15.870   7.3731   7.0103   6.9104   9.5987   7.9019   10.263   57.358   22.034   59.990   22.846 -2.632107 31.73997 
1 1 1  -22   24    8 o   52.081   13.423  -4.6022   6.9739   16.197   9.7020 -26.8375   10.031   74.401   22.340   29.760   14.888 44.64139 26.84660 
1 1 1  -22   24    9 o  155.428   15.560   64.389   10.952   79.234   23.861   60.426   12.327  163.607   26.990  147.248   15.493 16.35945 31.12020 
1 1 1  -22   24   10 o  144.594   19.885   64.331   14.938   57.297   22.975   69.482   19.661  134.419   32.077  154.769   23.508 -20.35011 39.76919 
1 1 1  -22   24   11 o   95.600   21.995   20.036   14.303   51.419   23.576   1.7586   17.992  126.162   33.870   65.037   28.069 61.12525 43.98977 
1 1 1  -22   24   12 o  204.211   18.376  117.883   20.277   0.0000   0.0000  117.883   20.277  ?   ?   204.211   18.376      ?      ? 
1 1 1  -22   24   13 o  145.311   9.7759   58.629   7.6670   60.989   10.751   56.186   10.937  148.402   13.406  142.219   14.232 6.182098 19.55190 
1 1 1  -22   24   14 o  136.855   11.076   53.190   7.8559   35.865   10.926   71.732   11.303  112.679   17.945  161.032   12.990 -48.35277 22.15283 
1 1 1  -22   24   15 o  126.638   11.399   45.062   7.6999   54.354   11.083   36.392   10.705  139.682   14.684  113.594   17.440 26.08829 22.79865 
1 1 1  -22   24   16 o  144.678   9.7309   58.105   7.6054   56.303   10.636   59.990   10.879  142.365   13.826  146.990   13.696 -4.625046 19.46173 
1 1 1  -22   24   17 o   80.786   15.574   19.160   7.2296   26.720   10.543   12.451   9.9325   94.628   21.151   66.944   22.865 27.68427 31.14750 
1 1 1  -22   24   18 o  104.660   18.911   39.129   9.7775   16.858   24.340   43.414   10.677   85.022   34.320  124.299   15.896 -39.27703 37.82233 
1 1 1  -22   24   19 o  104.480   16.316   37.617   9.0499   47.649   11.081   17.520   15.683  130.130   15.758   78.831   28.575 51.29933 32.63163 
1 1 1  -22   24   20 o  214.967   9.8533  129.137   10.991  129.185   13.770  129.054   18.247  216.030   11.796  213.905   15.786 2.125397 19.70665 
1 1 1  -22   24   21 o  128.158   11.205   46.132   7.7224   52.899   11.374   40.344   10.519  136.993   15.364  119.322   16.314 17.67101 22.40975 
1 1 1  -22   24   22 o   68.299   16.113   13.523   7.0102   11.769   10.180   15.105   9.6678   65.358   23.099   71.240   22.471 -5.882469 32.22625 
1 1 1  -22   24   23 o   47.984   13.935  -2.3398   6.9446 -17.1160   10.320   9.8898   9.3884   34.786   16.955   61.182   22.119 -26.39597 27.86956 
1 1 1  -22   24   24 o  207.495   7.8199  117.900   8.7036  129.986   13.329  108.916   11.492  216.509   11.393  198.481   10.715 18.02837 15.63988 
1 1 1  -22   24   25 o  205.808   10.683  117.259   11.881   0.0000   0.0000  117.259   11.881  ?   ?   205.808   10.683      ?      ? 
1 1 1  -22   24   26 o  162.439   9.3745   73.798   8.2131   79.630   12.040   68.723   11.232  168.431   13.229  156.446   13.286 11.98521 18.74910 
1 1 1  -22   24   27 o   55.613   15.126   5.4972   7.0451  -3.2812   10.458   12.791   9.5326   45.120   20.332   66.106   22.401 -20.98604 30.25201 
1 1 1  -22   24   28 o  105.019   13.406   32.970   7.3157   34.455   10.727   31.680   10.003  107.125   19.238  102.912   18.675 4.213623 26.81152 
1 1 1  -22   24   29 o   66.907   16.418   13.112   7.2638   15.108   10.569   11.326   10.000   70.409   23.588   63.406   22.842 7.002609 32.83557 
1 1 1  -22   24   30 o   80.298   13.675   19.737   7.2970   1.3987   10.774   35.278   9.9183   50.269   21.708  110.327   16.637 -60.05791 27.34999 
1 1 1  -22   24   31 o   88.476   15.746   25.136   7.5201   22.465   11.464   27.154   9.9630   83.290   24.099   93.661   20.273 -10.37058 31.49214 
1 1 1  -22   24   32 o  163.334   9.3387   75.654   8.1745   76.373   12.388   75.099   10.879  163.520   14.020  163.147   12.341 0.3734741 18.67747 
1 1 1  -22   24   33 o  264.862   9.7649  194.946   13.976   0.0000   0.0000  194.946   13.976  ?   ?   264.862   9.7649      ?      ? 
1 1 1  -22   24   34 o   76.362   16.803   18.830   7.6467   19.083   11.443   18.626   10.279   76.629   24.477   76.094   23.028 0.5349960 33.60624 
1 1 1  -22   24   35 o  167.260   12.374   79.258   11.184   0.0000   0.0000   79.258   11.184  ?   ?   167.260   12.374      ?      ? 
1 1 1  -22   24   36 o  128.668   12.445   51.310   8.0374   42.811   12.586   57.161   10.444  116.411   20.771  140.926   13.715 -24.51484 24.89014 
1 1 1  -22   24   37 o   96.592   15.642   30.317   7.9171   30.928   12.192   29.872   10.411   96.307   23.611   96.876   20.525 -0.5687027 31.28481 
1 1 1  -22   24   38 o   98.834   14.500   29.992   7.6703   46.165   11.979   18.753   9.9858  123.022   18.020   74.646   22.721 48.37601 28.99956 
1 1 1  -22   24   39 o  243.346   10.191  167.466   13.401   0.0000   0.0000  167.466   13.401  ?   ?   243.346   10.191      ?      ? 
1 1 1  -22   24   40 o   41.090   13.239  -8.5366   7.4323 -26.9416   11.571   4.3912   9.6974   32.018   16.014   50.162   21.088 -18.14310 26.47885 
1 1 1  -22   24   41 o  168.357   14.973   75.889   11.285   33.457   13.586  170.315   20.266   97.304   25.522  239.411   15.665 -142.1077 29.94591 
1 1 1  -22   24   44 o   84.637   27.850   30.338   14.751   30.338   14.751   0.0000   0.0000   84.637   27.850  ?   ?       ?      ? 
1 1 1  -22   24   45 o  147.664   10.969   67.447   8.6180   69.755   13.438   65.836   11.232  148.144   16.787  147.183   14.122 0.9604340 21.93700 
1 1 1  -22   24   46 o   59.558   16.778   13.553   8.0354   16.077   12.346   11.697   10.584   62.446   24.696   56.671   22.717 5.774162 33.55579 
1 1 1  -22   25    1 o  195.333   11.306  105.018   11.933   0.0000   0.0000  105.018   11.933  ?   ?   195.333   11.306      ?      ? 
1 1 1  -22   25    2 o  145.187   9.8837   58.402   7.6819   69.826   11.209   48.283   10.549  158.794   13.063  131.581   14.836 27.21297 19.76748 
1 1 1  -22   25    3 o   92.582   14.068   25.300   6.9811   31.146   9.7502   19.151   10.000  105.128   17.163   80.036   22.295 25.09257 28.13607 
1 1 1  -22   25    4 o  112.312   12.700   36.740   7.3741   42.548   10.145   30.232   10.738  123.418   15.211  101.205   20.341 22.21284 25.39927 
1 1 1  -22   25    5 o   91.772   14.725   25.242   7.1414   27.918   9.7988   22.210   10.430   97.544   19.274   86.001   22.267 11.54330 29.45022 
1 1 1  -22   25    6 o  140.040   19.032   64.135   10.391   52.005   25.159   66.630   11.410  125.153   35.541  154.928   13.629 -29.77522 38.06430 
1 1 1  -22   25    7 o   99.350   23.422   31.660   15.030   21.516   25.180   37.275   18.734   90.473   35.429  108.226   30.646 -17.75214 46.84397 
1 1 1  -22   25    8 o   74.388   20.067   3.5645   14.658 -40.1802   24.005   29.572   18.510   51.644   25.317   97.133   31.142 -45.48964 40.13436 
1 1 1  -22   25    9 o  114.166   22.768   43.614   15.287   28.739   23.820   54.032   19.933   97.026   35.208  131.306   28.879 -34.28027 45.53673 
1 1 1  -22   25   10 o   87.300   13.308   22.506   7.6283   44.085   10.531  -1.3162   11.065  125.406   15.541   49.195   21.608 76.21127 26.61617 
1 1 1  -22   25   11 o   77.798   16.222   18.202   7.2998   19.492   9.9475   16.696   10.746   80.487   22.167   75.110   23.691 5.376175 32.44402 
1 1 1  -22   25   12 f  165.840   9.2661   76.735   8.2241   89.352   11.699   64.409   11.563  179.730   12.046  151.950   14.083 27.78067 18.53216 
1 1 1  -22   25   13 o   59.818   15.665   8.2422   6.9809   3.2777   10.024   12.918   9.7277   52.271   21.666   67.365   22.630 -15.09400 31.32920 
1 1 1  -22   25   14 o  204.379   8.1022  115.498   8.9335  114.671   12.980  116.243   12.314  203.543   11.801  205.214   11.105 -1.671127 16.20441 
1 1 1  -22   25   15 o  157.333   9.3078   68.807   7.9033   64.683   10.887   73.402   11.492  152.338   13.225  162.327   13.101 -9.989670 18.61560 
1 1 1  -22   25   16 f   79.084   15.947   18.487   7.2841   25.037   10.891   13.185   9.7981   90.504   22.392   67.663   22.712 22.84085 31.89405 
1 1 1  -22   25   17 o   98.402   14.552   29.062   7.4842   29.744   10.822   28.438   10.362   99.431   20.810   97.374   20.348 2.057556 29.10462 
1 1 1  -22   25   18 o   98.111   15.743   28.761   8.1053   34.877   12.515   24.343   10.638  107.027   22.361   89.195   22.167 17.83144 31.48644 
1 1 1  -22   25   19 o   75.801   20.318   13.310   8.9936   21.885   22.654   11.706   9.7989   86.857   33.717   64.745   22.681 22.11166 40.63568 
1 1 1  -22   25   20 o   66.390   17.893   9.9424   8.3661   7.1394   10.059   16.232   15.068   57.318   22.407   75.461   27.903 -18.14252 35.78666 
1 1 1  -22   25   21 o   80.695   18.471   20.283   9.0389   20.237   11.454   20.358   14.716   80.485   24.298   80.906   27.826 -0.4211960 36.94159 
1 1 1  -22   25   22 o   97.094   14.557   28.753   7.4024   26.418   10.535   31.030   10.403   92.665   21.461  101.524   19.674 -8.858505 29.11446 
1 1 1  -22   25   23 o  172.263   8.7433   82.574   8.0801   85.808   12.272   80.099   10.735  174.935   12.982  169.590   11.715 5.344925 17.48653 
1 1 1  -22   25   24 o   63.754   16.193   11.331   7.0933   10.964   10.460   11.643   9.6514   63.519   23.289   63.990   22.505 -0.4713326 32.38537 
1 1 1  -22   25   25 o   42.172   13.606  -5.0332   6.9787  -9.0209   10.036  -1.2998   9.7109   39.041   18.392   45.302   20.055 -6.260983 27.21186 
1 1 1  -22   25   26 o  145.311   10.022   59.614   7.8289   68.643   11.515   51.851   10.676  155.725   13.684  134.898   14.646 20.82683 20.04386 
1 1 1  -22   25   27 o   49.515   14.860   2.1479   6.9852  -0.5355   10.063   4.6428   9.7036   46.665   20.549   52.365   21.470 -5.699234 29.71935 
1 1 1  -22   25   28 o   74.718   14.403   15.115   7.3707   32.303   10.715  -0.3218   10.155  102.467   20.070   46.969   20.664 55.49796 28.80630 
1 1 1  -22   25   29 o   62.493   16.177   11.076   7.2336   8.1049   10.751   13.534   9.7780   58.442   23.067   66.544   22.687 -8.102367 32.35428 
1 1 1  -22   25   30 o  103.283   13.728   32.949   7.3983   28.372   10.963   36.778   10.026   94.392   21.914  112.173   16.540 -17.78027 27.45531 
1 1 1  -22   25   31 o   67.719   15.229   13.368   7.2747   1.5866   10.823   23.077   9.8253   50.156   21.708   85.282   21.365 -35.12610 30.45848 
1 1 1  -22   25   32 f  179.721   9.0731   90.974   8.7498   97.872   13.345   85.774   11.588  185.304   13.327  174.137   12.315 11.16664 18.14614 
1 1 1  -22   25   33 o  181.283   9.0135   93.604   8.8158   95.349   12.875   92.063   12.097  182.648   13.045  179.917   12.442 2.730545 18.02708 
1 1 1  -22   25   34 o  136.622   11.513   56.955   8.1144   45.853   12.579   64.866   10.619  122.743   18.965  150.501   13.058 -27.75784 23.02590 
1 1 1  -22   25   35 o   65.509   15.220   12.742   7.2811   0.7467   10.958   22.225   9.7430   48.650   21.432   82.368   21.617 -33.71824 30.44087 
1 1 1  -22   25   36 o  145.966   10.548   62.746   8.1907   64.910   12.808   61.249   10.654  147.014   16.122  144.917   13.605 2.096939 21.09563 
1 1 1  -22   25   37 o   43.179   13.987  -3.6976   7.3538   0.5419   11.008  -7.1145   9.8824   47.641   21.208   38.716   18.242 8.925636 27.97451 
1 1 1  -22   25   38 o   52.003   15.843   3.7348   8.0592   4.0374   11.847   3.4742   10.995   52.923   22.809   51.082   21.995 1.841053 31.68656 
1 1 1  -22   25   39 o  118.304   19.503   49.730   12.074   44.820   15.627   57.005   19.020  112.491   26.196  124.116   28.899 -11.62498 39.00510 
1 1 1  -22   25   42 o   65.846   27.476   16.342   16.277   0.0000   0.0000   16.342   16.277  ?   ?    65.846   27.476      ?      ? 
1 1 1  -22   25   43 o   54.122   16.002   8.2693   7.9287   5.2414   11.650   10.882   10.822   51.024   22.298   57.219   22.959 -6.194603 32.00455 
1 1 1  -22   25   44 o   58.342   16.307   12.053   8.2710   3.0240   12.260   19.594   11.205   48.153   21.827   68.531   24.233 -20.37867 32.61324 
1 1 1  -22   26    1 o  132.753   10.717   49.536   7.5474   38.033   10.338   62.667   11.045  115.762   16.526  149.743   13.649 -33.98102 21.43403 
1 1 1  -22   26    2 o  133.712   10.346   50.220   7.4735   49.602   10.628   50.825   10.512  132.836   14.806  134.587   14.454 -1.751251 20.69105 
1 1 1  -22   26    3 o   96.032   21.173   27.118   9.7879   31.779   25.784   26.333   10.580   98.846   36.511   93.218   21.449 5.627609 42.34536 
1 1 1  -22   26    4 o   94.422   22.611   28.794   15.358   6.2523   25.460   41.689   19.257   76.215   33.141  112.628   30.769 -36.41225 45.22189 
1 1 1  -22   26    5 o   58.141   19.387 -19.5613   15.474  -4.7072   24.323 -29.6622   20.057   67.626   30.689   48.657   23.698 18.96944 38.77375 
1 1 1  -22   26    6 o  164.622   20.770   91.299   17.081   57.590   25.854  117.410   22.755  128.822   35.835  200.421   21.010 -71.59921 41.54032 
1 1 1  -22   26    7 o   37.536   12.587 -12.1063   7.0905  -5.2761   9.5205 -20.6134   10.625   41.327   18.924   33.745   16.603 7.582359 25.17476 
1 1 1  -22   26    8 o  121.774   11.484   42.123   7.5301   45.919   10.636   38.308   10.662  127.565   15.430  115.983   17.012 11.58132 22.96757 
1 1 1  -22   26    9 o  113.360   13.191   38.706   7.5104   53.592   10.643   23.943   10.599  138.227   14.250   88.494   22.202 49.73218 26.38151 
1 1 1  -22   26   10 o  120.163   11.400   40.932   7.3966   43.052   10.530   38.868   10.392  123.345   15.799  116.980   16.440 6.365410 22.80074 
1 1 1  -22   26   11 o   57.442   15.131   7.4960   6.6590   12.335   8.8792   1.2753   10.067   65.338   21.613   49.545   21.182 15.79273 30.26207 
1 1 1  -22   26   12 o   66.650   16.495   12.509   7.3238   12.348   10.154   12.683   10.574   66.197   23.094   67.103   23.558 -0.9066849 32.98945 
1 1 1  -22   26   13 o  203.766   8.0300  114.554   8.8172  103.880   12.043  126.884   12.944  193.510   11.517  214.022   11.192 -20.51169 16.05994 
1 1 1  -22   26   14 o   48.979   14.774   0.1924   7.1601   5.8587   10.116  -5.4954   10.136   55.498   22.223   42.459   19.473 13.03883 29.54748 
1 1 1  -22   26   15 o  105.390   13.851   33.072   7.6892   29.227   10.939   36.827   10.810   97.780   21.306  113.000   17.704 -15.21985 27.70164 
1 1 1  -22   26   16 o  137.610   10.924   53.907   8.0899   54.562   11.005   53.138   11.933  138.858   14.667  136.362   16.194 2.496323 21.84878 
1 1 1  -22   26   17 o   94.330   14.403   27.292   7.2900   33.842   10.066   20.066   10.572  108.412   17.182   80.247   23.120 28.16569 28.80544 
1 1 1  -22   26   18 o   58.998   15.093   6.4978   6.9750  -2.8180   9.5687   17.060   10.189   43.534   19.547   74.462   23.003 -30.92817 30.18641 
1 1 1  -22   26   19 o   95.995   20.116   30.516   10.004   26.937   23.082   31.343   11.101   90.718   34.330  101.272   20.976 -10.55350 40.23124 
1 1 1  -22   26   20 o   95.125   20.730   18.938   9.6250   56.419   23.862   11.655   10.519  125.624   34.223   64.627   23.405 60.99667 41.46096 
1 1 1  -22   26   21 o   74.800   18.921   15.060   9.2017   10.730   11.125   24.437   16.372   63.511   23.879   86.089   29.357 -22.57751 37.84167 
1 1 1  -22   26   22 o   64.020   16.934   11.152   8.2676   15.713   9.7937  -0.1596   15.423   71.268   22.632   56.772   25.197 14.49578 33.86862 
1 1 1  -22   26   23 o   57.084   16.001   6.9335   7.4808   3.2707   10.925   10.167   10.265   52.699   22.280   61.469   22.971 -8.769272 32.00136 
1 1 1  -22   26   24 o  115.029   11.862   38.628   7.3325   37.084   10.794   39.951   9.9918  112.382   17.775  117.676   15.713 -5.293755 23.72434 
1 1 1  -22   26   25 o   54.268   15.508   5.8520   6.9937   6.6181   10.549   5.2511   9.3416   56.154   22.620   52.382   21.221 3.771576 31.01551 
1 1 1  -22   26   26 f   72.256   15.929   15.108   7.4919   26.032   11.169   6.1746   10.101   89.768   22.940   54.744   22.105 35.02460 31.85746 
1 1 1  -22   26   27 o  132.034   11.125   50.641   7.8891   50.006   11.757   51.161   10.641  130.740   16.641  133.328   14.769 -2.587555 22.24984 
1 1 1  -22   26   28 o   52.323   14.419  -0.0319   7.3668 -16.7258   10.691   15.059   10.165   35.306   17.219   69.339   23.134 -34.03265 28.83872 
1 1 1  -22   26   29 o  107.497   13.504   35.320   7.6300   32.812   11.078   37.584   10.525  102.204   20.766  112.791   17.268 -10.58697 27.00800 
1 1 1  -22   26   30 o  143.419   10.997   60.353   8.4791   57.473   12.413   62.872   11.610  139.543   16.462  147.295   14.586 -7.752396 21.99454 
1 1 1  -22   26   31 o   53.212   15.648   4.8165   7.5450   1.3396   10.902   8.0121   10.452   49.371   21.573   57.053   22.673 -7.682098 31.29629 
1 1 1  -22   26   32 o   98.939   14.860   31.180   7.9098   41.736   11.507   21.725   10.891  117.486   18.126   80.392   23.553 37.09422 29.72055 
1 1 1  -22   26   33 o   66.778   16.092   14.012   7.8715   3.0322   11.793   22.833   10.571   51.792   22.538   81.763   22.974 -29.97118 32.18352 
1 1 1  -22   26   34 o   39.643   13.368 -10.0020   7.9348  -7.4253   11.542 -12.3113   10.927   41.867   19.723   37.419   18.049 4.448524 26.73529 
1 1 1  -22   26   35 o   56.865   16.419   8.0084   7.9816   8.6230   11.453   7.4280   11.130   57.805   23.469   55.926   22.969 1.878361 32.83847 
1 1 1  -22   26   36 o   86.819   18.363   21.881   10.233   6.8112   12.746   49.212   17.165   57.234   24.125  116.404   27.692 -59.17008 36.72669 
1 1 1  -22   26   37 o   54.716   17.356   0.9085   10.939   7.2027   14.450  -7.5405   16.742   58.967   25.299   50.464   23.768 8.503101 34.71227 
1 1 1  -22   26   38 o   56.009   25.623   4.1351   17.399   0.0000   0.0000   4.1351   17.399  ?   ?    56.009   25.623      ?      ? 
1 1 1  -22   26   40 o   53.617   17.835  -1.8558   12.119   6.0180   21.793  -5.3806   14.581   60.371   27.996   46.862   22.104 13.50893 35.67055 
1 1 1  -22   26   41 o   96.680   15.882   34.765   8.1316   32.154   12.178   36.865   10.923   90.698   24.340  102.662   20.409 -11.96359 31.76472 
1 1 1  -22   26   42 o   59.152   16.467   13.413   7.8640   10.065   11.455   16.398   10.815   54.707   22.955   63.597   23.615 -8.889713 32.93349 
1 1 1  -22   27    1 o  143.991   23.126   69.069   17.394   84.144   27.385   58.874   22.521  156.609   33.381  131.373   32.017 25.23608 46.25300 
1 1 1  -22   27    2 o   91.599   24.920   26.941   17.124   26.577   27.840   27.162   21.719   92.126   36.874   91.073   33.532 1.052719 49.84080 
1 1 1  -22   27    3 o   82.735   23.806   17.798   16.109   21.090   27.308   16.041   19.950   87.270   35.927   78.200   31.245 9.069572 47.61273 
1 1 1  -22   27    4 o  142.316   10.493   57.673   8.0221   62.291   11.113   52.647   11.592  148.732   13.827  135.901   15.786 12.83014 20.98511 
1 1 1  -22   27    5 o  103.475   13.850   32.615   7.4563   41.386   10.395   23.321   10.701  120.411   15.976   86.538   22.628 33.87330 27.69964 
1 1 1  -22   27    6 o  145.822   10.005   60.088   7.8587   65.544   11.140   54.684   11.088  152.698   13.501  138.946   14.767 13.75156 20.00909 
1 1 1  -22   27    7 o   60.386   15.386   8.8985   6.8990   15.292   9.5400   1.8894   9.9889   70.980   22.313   49.793   21.189 21.18707 30.77102 
1 1 1  -22   27    8 o  134.354   10.571   51.309   7.6122   59.294   10.877   43.645   10.657  145.064   13.876  123.643   15.950 21.42067 21.14139 
1 1 1  -22   27    9 o   38.825   12.868  -8.1141   6.7942  -8.2675   9.4884  -7.9526   9.7331   38.388   18.021   39.262   18.374 -0.8741074 25.73590 
1 1 1  -22   27   10 o   73.489   15.710   16.083   7.0622   22.842   10.211   9.8858   9.7775   85.853   21.932   61.126   22.500 24.72757 31.42036 
1 1 1  -22   27   11 o   50.569   15.072   1.9527   7.1890   6.0152   10.107  -2.2073   10.228   55.476   22.213   45.663   20.377 9.813480 30.14340 
1 1 1  -22   27   12 o  111.482   13.612   37.839   7.7690   47.789   10.805   27.189   11.179  129.515   15.439   93.449   22.424 36.06602 27.22468 
1 1 1  -22   27   13 o   81.762   16.259   20.701   7.5237   17.125   10.230   24.914   11.104   74.429   23.058   89.094   22.930 -14.66508 32.51865 
1 1 1  -22   27   14 o   49.177   14.633   0.6305   6.9979   7.6264   9.9569  -6.1981   9.8371   57.479   22.342   40.875   18.904 16.60449 29.26619 
1 1 1  -22   27   15 o   76.964   16.268   18.124   7.5127   12.264   10.315   24.746   10.964   65.332   23.234   88.597   22.776 -23.26535 32.53565 
1 1 1  -22   27   16 o   43.461   14.074  -4.9867   7.4499  -3.7366   10.153  -6.4446   10.965   43.735   19.839   43.186   19.967 0.5487976 28.14785 
1 1 1  -22   27   17 o   98.130   13.921   28.940   7.2447   23.847   9.9447   34.699   10.576   87.409   21.259  108.852   17.980 -21.44337 27.84267 
1 1 1  -22   27   18 o   46.927   14.544  -0.2861   7.0813   1.5556   10.053  -2.1001   9.9768   49.023   21.069   44.831   20.057 4.192730 29.08872 
1 1 1  -22   27   19 o   92.564   15.726   27.138   7.7595   27.050   11.308   27.216   10.667   92.077   22.838   93.051   21.626 -0.9734497 31.45273 
1 1 1  -22   27   20 o  148.305   17.981   74.360   10.727   63.468   23.756   77.150   12.022  131.805   33.333  164.805   13.500 -33.00063 35.96280 
1 1 1  -22   27   21 f   99.697   20.169   30.335   9.4493   42.500   22.563   27.747   10.406  105.389   34.433   94.005   21.013 11.38316 40.33798 
1 1 1  -22   27   22 o   81.177   18.252   22.714   9.0664   25.646   10.719   15.342   16.995   89.457   22.263   72.897   28.929 16.56048 36.50441 
1 1 1  -22   27   23 o   77.864   17.702   14.005   8.9964   2.9065   10.951   37.050   15.780   51.868   22.132  103.861   27.633 -51.99231 35.40309 
1 1 1  -22   27   24 o  107.525   13.743   35.449   7.6889   34.868   10.709   36.067   11.046  106.693   19.285  108.357   19.587 -1.663742 27.48698 
1 1 1  -22   27   25 o  129.766   11.746   50.147   8.0688   42.462   11.938   56.609   10.948  119.218   18.531  140.314   14.439 -21.09564 23.49266 
1 1 1  -22   27   26 o  131.094   11.622   50.647   8.1754   50.131   12.236   51.063   10.988  129.806   17.445  132.382   15.360 -2.575287 23.24349 
1 1 1  -22   27   27 o   69.914   16.774   15.857   7.5657   15.106   10.783   16.586   10.618   68.608   23.807   71.219   23.638 -2.611748 33.54838 
1 1 1  -22   27   28 o   40.300   13.312  -8.4825   7.4137 -16.1413   10.737  -1.5032   10.249   35.417   17.270   45.183   20.263 -9.765564 26.62397 
1 1 1  -22   27   29 o   81.582   15.193   21.887   7.8769   6.8418   11.312   36.050   10.975   56.184   23.125  106.981   19.712 -50.79718 30.38634 
1 1 1  -22   27   30 o   73.831   15.140   17.202   8.0009  -0.0086   11.705   32.295   10.961   48.513   21.713   99.149   21.107 -50.63670 30.28077 
1 1 1  -22   27   31 o   74.161   16.890   18.777   8.1037   27.034   11.747   11.278   11.194   87.449   24.090   60.874   23.682 26.57484 33.78067 
1 1 1  -22   27   32 o   61.094   16.917   10.232   8.3730   4.6225   11.656   16.214   12.036   53.173   22.765   69.015   25.030 -15.84155 33.83377 
1 1 1  -22   27   33 o  114.813   18.149   46.705   11.295   56.104   15.617   36.396   16.355  131.706   21.943   97.921   28.914 33.78469 36.29750 
1 1 1  -22   27   34 o   63.783   17.709   2.4277   10.882 -19.5405   14.730   28.829   16.148   41.173   20.109   86.393   29.156 -45.22063 35.41831 
1 1 1  -22   27   35 o  169.096   13.368   90.735   12.141   79.077   16.332  105.135   18.152  156.497   19.313  181.694   18.488 -25.19627 26.73614 
1 1 1  -22   27   36 o   60.352   26.897   12.345   17.758   0.0000   0.0000   12.345   17.758  ?   ?    60.352   26.897      ?      ? 
1 1 1  -22   27   37 o   64.730   27.051   15.547   15.810   0.0000   0.0000   15.547   15.810  ?   ?    64.730   27.051      ?      ? 
1 1 1  -22   27   38 o   50.318   16.938  -5.4906   12.061  -0.4050   19.972  -8.4099   15.132   55.075   25.945   45.561   21.783 9.514706 33.87692 
1 1 1  -22   27   39 o   94.583   16.954   35.040   8.6727   37.099   12.575   33.172   11.977   97.303   24.053   91.862   23.900 5.440308 33.90813 
1 1 1  -22   28    1 o  200.753   11.923  112.854   12.934   0.0000   0.0000  112.854   12.934  ?   ?   200.753   11.923      ?      ? 
1 1 1  -22   28    2 o  121.041   11.804   42.775   7.6170   45.530   10.225   39.342   11.417  126.238   14.990  115.845   18.238 10.39315 23.60788 
1 1 1  -22   28    3 o   52.376   15.329   3.2214   7.0874  -0.3318   9.2680   8.2259   10.999   45.272   19.833   59.481   23.378 -14.20914 30.65771 
1 1 1  -22   28    4 o   46.920   14.082  -3.9697   6.7837 -13.3402   8.8250   9.5638   10.606   32.830   15.928   61.009   23.227 -28.17950 28.16332 
1 1 1  -22   28    5 o  134.208   11.219   52.882   7.9221   62.897   10.889   41.619   11.547  149.120   13.513  119.296   17.913 29.82426 22.43844 
1 1 1  -22   28    6 o  107.941   13.395   34.727   7.6240   31.062   10.558   38.721   11.021  100.741   20.099  115.140   17.713 -14.39942 26.79062 
1 1 1  -22   28    7 f  169.996   13.465   81.762   12.369   0.0000   0.0000   81.762   12.369  ?   ?   169.996   13.465      ?      ? 
1 1 1  -22   28    8 o   80.228   16.257   20.664   7.4892   23.344   10.025   17.281   11.266   86.276   21.563   74.180   24.336 12.09573 32.51416 
1 1 1  -22   28    9 o   93.794   14.470   27.885   7.4898   39.813   10.431   15.188   10.762  117.259   16.462   70.329   23.801 46.93011 28.93948 
1 1 1  -22   28   10 o  116.821   11.723   39.487   7.3854   36.231   10.199   43.076   10.708  111.607   16.912  122.034   16.239 -10.42637 23.44593 
1 1 1  -22   28   11 o   84.048   16.050   22.536   7.4811   24.406   10.524   20.627   10.636   87.771   22.180   80.325   23.204 7.446182 32.09924 
1 1 1  -22   28   12 o   58.615   15.858   8.7387   6.9764   9.3372   9.1525   7.9087   10.778   58.796   21.746   58.434   23.086 0.3617363 31.71512 
1 1 1  -22   28   13 o   42.543   13.838  -5.2940   7.3237  -3.7809   10.046  -7.0102   10.699   43.205   19.651   41.881   19.488 1.323513 27.67552 
1 1 1  -22   28   14 o  224.965   11.454  141.876   13.924   0.0000   0.0000  141.876   13.924  ?   ?   224.965   11.454      ?      ? 
1 1 1  -22   28   15 o   75.198   15.014   17.614   7.3211   28.663   10.045   5.0948   10.692   96.180   19.981   54.217   22.416 41.96232 30.02876 
1 1 1  -22   28   16 o  138.485   11.774   56.629   8.4923   74.626   12.222   39.827   11.809  161.553   14.000  115.416   18.934 46.13717 23.54795 
1 1 1  -22   28   17 o   69.276   16.798   14.728   7.6497   18.207   11.121   11.603   10.539   75.075   24.146   63.477   23.361 11.59815 33.59655 
1 1 1  -22   28   18 o  117.277   13.303   42.715   7.8619   55.252   10.948   29.363   11.298  138.665   14.610   95.890   22.235 42.77435 26.60603 
1 1 1  -22   28   19 o   94.919   15.131   28.340   7.5667   25.959   10.324   31.105   11.122   90.495   21.441   99.343   21.354 -8.848045 30.26137 
1 1 1  -22   28   20 o  113.703   18.398   38.534   11.304   0.0000   0.0000   38.534   11.304  ?   ?   113.703   18.398      ?      ? 
1 1 1  -22   28   21 o   76.536   18.950   20.658   9.9314  -0.5185   24.618   24.774   10.854   65.940   30.281   87.131   22.792 -21.19093 37.90011 
1 1 1  -22   28   22 o   61.475   19.407  -6.9985   9.4337   28.986   24.586 -13.2113   10.216   86.981   34.708   35.969   17.375 51.01144 38.81421 
1 1 1  -22   28   23 o   71.146   19.121   16.038   9.8143   16.547   11.829   14.912   17.581   71.121   24.920   71.170   29.007 -0.4885864E-01 38.24155 
1 1 1  -22   28   24 o   52.660   16.431  -5.7618   8.6589 -14.0305   10.280   14.428   16.064   35.556   17.237   69.764   27.979 -34.20795 32.86254 
1 1 1  -22   28   25 o   55.455   16.224   6.1491   7.9360   8.3581   11.598   4.2046   10.882   58.527   23.668   52.384   22.197 6.143082 32.44806 
1 1 1  -22   28   26 o  117.559   13.746   43.478   8.5355   42.723   12.322   44.174   11.835  115.211   20.545  119.907   18.266 -4.695587 27.49101 
1 1 1  -22   28   27 o   43.902   14.086  -4.4927   7.6507   4.1645   10.687 -13.5925   10.957   51.054   21.826   36.750   17.811 14.30423 28.17110 
1 1 1  -22   28   28 o  186.633   9.5481  101.296   9.6121  108.724   14.092   94.832   13.145  193.000   13.512  180.267   13.494 12.73293 19.09626 
1 1 1  -22   28   29 o   50.264   15.723  -1.3457   9.2471   8.3078   11.662 -17.6959   15.177   57.714   23.585   42.814   20.799 14.90002 31.44602 
1 1 1  -22   28   30 o  107.581   18.412   39.519   10.878   25.698   14.214   59.054   16.899   83.598   27.331  131.564   24.677 -47.96622 36.82314 
1 1 1  -22   28   31 o   80.544   20.348   24.387   11.020   22.590   14.145   27.162   17.576   78.226   27.259   82.862   30.217 -4.636459 40.69558 
1 1 1  -22   28   32 o   95.286   19.993   35.437   10.932   27.973   13.990   47.140   17.518   83.610   27.102  106.962   29.399 -23.35191 39.98576 
1 1 1  -22   28   33 o   56.793   17.793   8.6844   10.648   5.3964   13.837   13.457   16.671   52.572   23.563   61.014   26.668 -8.442223 35.58645 
1 1 1  -22   28   34 o   68.978   18.609   20.122   10.740   0.0335   23.743   25.290   12.043   57.776   27.529   80.179   25.048 -22.40261 37.21862 
1 1 1  -22   28   35 o   56.594   18.139   1.9958   13.422 -29.5946   24.561   15.446   16.026   48.291   24.021   64.898   27.187 -16.60711 36.27859 
1 1 1  -22   28   36 o   51.189   17.433  -4.9442   13.509   2.1446   22.592  -8.8896   16.854   56.101   26.765   46.276   22.345 9.825291 34.86623 
1 1 1  -22   28   37 o   54.222   15.775   7.3466   8.3089  -4.3730   11.841   18.715   11.662   41.877   19.804   66.567   24.562 -24.69043 31.55090 
1 1 1  -22   29    1 o   56.350   15.561   7.5645   6.9505   9.9668   9.1966   4.3645   10.614   59.624   21.840   53.076   22.171 6.547932 31.12130 
1 1 1  -22   29    2 o  153.797   10.085   67.984   8.3484   70.815   11.490   64.817   12.151  157.665   13.486  149.928   14.998 7.737320 20.16986 
1 1 1  -22   29    3 o   54.415   15.544   6.0981   7.0513   7.1903   9.2765   4.6033   10.852   55.074   21.521   53.757   22.433 1.317184 31.08716 
1 1 1  -22   29    4 o  200.637   12.617  113.940   13.679   0.0000   0.0000  113.940   13.679  ?   ?   200.637   12.617      ?      ? 
1 1 1  -22   29    5 o   89.344   14.754   23.909   7.8962   9.1228   10.629   42.120   11.796   59.675   23.115  119.012   18.342 -59.33651 29.50815 
1 1 1  -22   29    6 o  123.107   12.414   45.118   8.1615   49.966   11.225   39.680   11.888  131.158   15.838  115.057   19.121 16.10047 24.82834 
1 1 1  -22   29    7 o   42.995   13.877  -4.0708   7.1744  -2.4209   9.6931  -6.0700   10.669   43.570   19.609   42.420   19.642 1.150558 27.75495 
1 1 1  -22   29    8 o  113.887   12.967   39.483   7.6413   44.336   10.408   33.808   11.254  123.699   15.571  104.074   20.740 19.62511 25.93437 
1 1 1  -22   29    9 o  164.956   9.3668   77.450   8.3343   79.418   11.553   75.315   12.035  167.433   12.769  162.478   13.708 4.954803 18.73370 
1 1 1  -22   29   10 o   88.446   14.790   23.395   7.5245   12.247   10.014   37.852   11.404   64.255   22.888  112.637   18.736 -48.38277 29.57900 
1 1 1  -22   29   11 o   66.188   16.133   12.387   7.6564   20.458   10.604   3.5976   11.066   79.486   23.228   52.889   22.396 26.59780 32.26655 
1 1 1  -22   29   12 o   50.482   15.021   1.8076   7.3265   8.3132   10.296  -4.8668   10.428   58.065   22.677   42.899   19.703 15.16535 30.04137 
1 1 1  -22   29   13 o  137.137   11.031   54.371   8.1283   52.562   10.864   56.672   12.250  134.976   14.896  139.299   16.275 -4.322937 22.06239 
1 1 1  -22   29   14 f   46.510   14.525  -2.0488   7.5047   4.6437   10.373  -9.4003   10.871   52.841   21.982   40.179   18.993 12.66215 29.05064 
1 1 1  -22   29   15 o   48.574   14.960   0.7465   7.4786   4.2182   10.318  -3.0955   10.855   52.029   21.806   45.119   20.485 6.909283 29.91911 
1 1 1  -22   29   16 o   60.192   16.360   9.8555   7.5674   12.093   10.241   7.1640   11.231   63.412   23.074   56.972   23.198 6.439919 32.71995 
1 1 1  -22   29   17 o   39.765   13.335 -10.0838   7.6528 -13.3289   10.353  -6.1756   11.362   36.172   17.478   43.359   20.144 -7.187073 26.66938 
1 1 1  -22   29   18 o   54.382   15.947   5.4964   7.7324   7.6928   10.896   3.2681   10.975   57.118   22.995   51.646   22.100 5.471832 31.89345 
1 1 1  -22   29   19 o  148.309   11.147   64.585   8.8928   72.628   12.802   57.086   12.362  157.780   15.015  138.839   16.478 18.94080 22.29307 
1 1 1  -22   29   20 o   48.140   15.019  -1.1407   7.8356   5.8328   11.508  -7.1687   10.699   55.243   23.081   41.038   19.224 14.20472 30.03819 
1 1 1  -22   29   21 o  115.623   13.500   41.335   8.1824   34.895   11.092   49.023   12.119  104.199   20.431  127.047   17.653 -22.84728 27.00044 
1 1 1  -22   29   22 o   65.520   18.153   13.833   10.217 -18.3671   25.754   19.847   11.130   55.813   27.109   75.228   24.152 -19.41497 36.30661 
1 1 1  -22   29   23 o   86.162   18.850   32.248   11.384   2.2748   26.469   39.052   12.610   64.769   30.307  107.555   22.424 -42.78600 37.70082 
1 1 1  -22   29   24 o   39.994   19.207 -12.0651   12.062 -12.0651   12.062   0.0000   0.0000   39.994   19.207  ?   ?       ?      ? 
1 1 1  -22   29   25 o   57.147   23.990   7.1014   12.520   7.1014   12.520   0.0000   0.0000   57.147   23.990  ?   ?       ?      ? 
1 1 1  -22   29   26 f  118.731   16.305   53.145   10.953   83.694   14.806   16.223   16.277  167.082   16.399   70.380   28.186 96.70171 32.60966 
1 1 1  -22   29   27 o   45.870   15.281 -10.9542   10.214  -0.3511   13.866 -23.5360   15.104   51.621   23.322   40.119   19.750 11.50174 30.56110 
1 1 1  -22   29   28 o   56.616   17.501   5.4824   10.133   2.7252   13.729   8.7815   15.017   53.140   23.668   60.092   25.786 -6.952938 35.00161 
1 1 1  -22   29   29 o   51.260   16.454   1.1868   10.341   9.3514   13.884  -8.9842   15.496   57.107   24.652   45.412   21.799 11.69545 32.90783 
1 1 1  -22   29   30 o   85.322   17.519   29.134   8.5526   28.219   11.923   30.104   12.275   84.003   24.654   86.640   24.897 -2.636818 35.03889 
1 1 1  -22   29   31 o   94.181   16.969   33.086   8.6880   35.610   12.166   30.458   12.411   99.114   23.136   89.247   24.829 9.867470 33.93777 
1 1 1  -22   29   32 o   87.744   23.132   36.806   14.545   54.572   23.584   25.901   18.478  100.456   35.188   75.032   30.038 25.42445 46.26500 
1 1 1  -22   29   33 o   79.274   22.777   33.630   14.351   49.032   25.955   26.847   17.224   84.965   35.007   73.582   29.148 11.38278 45.55352 
1 1 1  -22   29   34 o   52.448   17.607  -0.1526   14.005 -15.9820   23.010   9.1622   17.651   48.435   23.944   56.460   25.822 -8.024258 35.21467 
1 1 1  -22   30    1 o  143.218   10.666   59.467   8.2294   55.059   11.134   64.775   12.218  137.469   14.988  148.967   15.178 -11.49825 21.33111 
1 1 1  -22   30    2 o   91.562   15.709   27.463   7.6716   28.274   10.302   26.453   11.494   94.068   20.817   89.056   23.532 5.011818 31.41835 
1 1 1  -22   30    3 o   87.826   14.520   25.950   7.8548   40.716   10.604   7.9974   11.692  117.169   16.749   58.483   23.724 58.68617 29.04003 
1 1 1  -22   30    4 o   99.659   15.553   32.079   8.1338   30.636   11.071   33.771   11.990   97.465   21.590  101.853   22.394 -4.388145 31.10661 
1 1 1  -22   30    5 o  115.453   14.075   42.733   8.2561   53.031   11.277   30.836   12.121  134.560   15.509   96.346   23.493 38.21373 28.15027 
1 1 1  -22   30    6 o   73.766   17.052   17.997   7.8188   16.814   10.747   19.327   11.396   71.590   23.782   75.941   24.445 -4.350243 34.10487 
1 1 1  -22   30    7 o   57.531   16.259   7.8943   7.6645   5.9016   10.579   10.096   11.120   54.308   22.360   60.754   23.612 -6.445889 32.51871 
1 1 1  -22   30    8 o   69.909   14.964   13.359   7.6443   28.631   10.774  -2.1219   10.847   94.036   21.651   45.781   20.661 48.25502 29.92727 
1 1 1  -22   30    9 o   87.358   16.318   25.145   7.7976   22.954   10.520   27.817   11.616   83.322   22.734   91.394   23.415 -8.071648 32.63569 
1 1 1  -22   30   10 o   50.807   15.342   2.8844   7.4759   0.5363   10.269   5.5319   10.904   47.343   20.805   54.271   22.554 -6.928040 30.68468 
1 1 1  -22   30   11 o   78.640   16.542   20.658   7.6309   23.836   10.717   17.389   10.868   84.765   22.869   72.514   23.908 12.25058 33.08421 
1 1 1  -22   30   12 o   70.284   16.456   15.695   7.5746   9.7603   10.537   22.041   10.896   59.565   23.030   81.003   23.510 -21.43847 32.91114 
1 1 1  -22   30   13 o  108.247   13.584   36.259   7.7290   35.374   10.354   37.372   11.615  108.265   17.698  108.230   20.613 0.3430176E-01 27.16889 
1 1 1  -22   30   14 o   54.251   15.704   5.3167   7.6009  -0.4618   10.545   11.566   10.966   46.385   20.695   62.118   23.625 -15.73297 31.40762 
1 1 1  -22   30   15 o   39.444   13.209  -9.2113   7.5022 -13.2829   10.251  -4.5160   11.009   35.551   17.229   43.338   20.027 -7.786297 26.41796 
1 1 1  -22   30   16 o   79.696   17.257   22.573   8.1345   23.251   11.042   21.767   12.030   81.509   23.669   77.882   25.120 3.626671 34.51423 
1 1 1  -22   30   17 f   66.275   16.679   14.206   7.9155   20.939   11.210   7.5116   11.178   76.832   24.193   55.718   22.967 21.11463 33.35880 
1 1 1  -22   30   18 o   92.246   17.551   26.291   9.3768   13.202   11.582   51.194   15.975   63.994   24.294  120.498   25.338 -56.50479 35.10287 
1 1 1  -22   30   19 o   61.896   17.449   11.005   9.0631   15.083   11.564   4.5113   14.592   67.172   24.507   56.621   24.844 10.55065 34.89735 
1 1 1  -22   30   20 o   45.114   14.944  -7.1357   9.2018  -1.6507   11.380 -17.4977   15.641   46.526   21.064   43.701   21.203 2.824379 29.88743 
1 1 1  -22   30   21 o   64.539   18.200   11.153   10.212   19.619   13.860   1.0982   15.104   74.448   26.881   54.631   24.542 19.81738 36.39927 
1 1 1  -22   30   22 o   59.777   17.237  -0.8902   9.5891 -14.9550   11.912   25.000   16.162   38.229   18.538   81.324   29.066 -43.09501 34.47455 
1 1 1  -22   30   23 o   70.691   18.813   13.446   11.255   31.914   16.228  -3.6757   15.624   90.123   29.187   51.258   23.747 38.86525 37.62699 
1 1 1  -22   30   24 o   55.706   24.781   4.8559   15.003   0.0000   0.0000   4.8559   15.003  ?   ?    55.706   24.781      ?      ? 
1 1 1  -22   30   25 o   39.891   14.112 -25.2995   11.330 -26.4865   13.815 -22.8604   19.804   35.178   17.579   44.605   22.080 -9.426735 28.22303 
1 1 1  -22   30   26 o   65.987   18.677   12.094   9.3803   3.4984   10.953   35.743   18.168   47.995   21.271   83.979   30.707 -35.98386 37.35453 
1 1 1  -22   30   27 o   37.536   12.815 -11.2288   7.8695  -7.7060   10.397 -15.9541   12.042   38.349   18.257   36.723   17.988 1.625767 25.62958 
1 1 1  -22   30   28 o   71.622   17.303   19.090   8.2843   13.014   11.292   26.172   12.191   61.198   23.791   82.047   25.131 -20.84962 34.60635 
1 1 1  -22   30   29 o   40.136   13.532  -8.1596   8.1931 -13.4819   11.423  -2.5197   11.758   36.374   17.753   43.898   20.427 -7.524147 27.06337 
1 1 1  -22   30   30 o   82.837   20.820   35.775   15.140   3.0541   23.042   60.631   20.083   55.802   26.733  109.871   31.926 -54.06811 41.64024 
1 1 1  -22   31    1 o   43.980   14.023  -2.2458   7.3341   3.1326   9.4775 -10.2745   11.579   47.937   20.525   40.023   19.113 7.913452 28.04626 
1 1 1  -22   31    2 o   99.552   14.628   35.036   7.7964   47.144   10.360   19.226   11.839  125.676   15.256   73.428   24.964 52.24815 29.25605 
1 1 1  -22   31    3 o   93.825   15.650   30.466   7.9063   36.136   10.766   23.830   11.648  105.971   19.520   81.678   24.468 24.29401 31.30066 
1 1 1  -22   31    4 o   53.643   15.024   4.2180   7.5900   15.328   10.251  -9.2624   11.292   67.178   23.218   40.108   19.075 27.07006 30.04852 
1 1 1  -22   31    5 o   88.206   16.445   26.857   7.9211   24.897   10.662   29.272   11.834   84.953   22.764   91.460   23.738 -6.506783 32.88958 
1 1 1  -22   31    6 f   49.670   15.160   0.4490   7.7575  -7.2942   10.391   10.198   11.660   39.653   18.691   59.687   23.873 -20.03425 30.31912 
1 1 1  -22   31    7 o   73.838   16.903   19.230   7.8163   22.062   10.640   15.911   11.520   79.556   23.273   68.121   24.519 11.43504 33.80587 
1 1 1  -22   31    8 o   52.914   15.807   4.9094   7.8713   8.6138   11.182   1.2704   11.083   57.283   23.213   48.544   21.461 8.738586 31.61352 
1 1 1  -22   31    9 o   73.244   17.933   16.572   8.8173   8.6970   11.144   29.752   14.418   57.459   23.213   89.029   27.340 -31.56949 35.86507 
1 1 1  -22   31   10 o   64.481   17.206   13.482   8.4042   16.700   10.256   6.9077   14.662   70.026   23.231   58.936   25.388 11.08998 34.41278 
1 1 1  -22   31   11 o   51.144   16.003  -2.5490   9.0416 -12.2275   11.860   10.881   13.971   39.587   19.021   62.701   25.741 -23.11476 32.00629 
1 1 1  -22   31   12 f   89.519   17.180   25.670   9.7500   8.7658   12.834   48.739   14.993   59.410   24.561  119.628   24.028 -60.21835 34.35968 
1 1 1  -22   31   13 o   59.892   17.375   9.2231   8.9396   10.892   11.269   6.3896   14.684   60.998   23.752   58.787   25.365 2.211334 34.74941 
1 1 1  -22   31   14 o   99.718   18.054   35.145   9.7714   35.991   13.494   34.212   14.169  101.785   24.768   97.651   26.275 4.134613 36.10851 
1 1 1  -22   31   15 o   61.876   18.055   9.5708   10.065   14.376   13.309   3.1509   15.383   67.039   25.894   56.713   25.168 10.32515 36.10968 
1 1 1  -22   31   16 o  111.644   18.177   42.877   10.837   31.351   14.301   58.423   16.609   92.399   26.967  130.889   24.380 -38.49067 36.35389 
1 1 1  -22   31   17 o   45.718   15.139  -9.4433   9.9720   1.3511   12.798 -26.1261   15.910   51.205   22.826   40.231   19.892 10.97462 30.27735 
1 1 1  -22   31   18 o   58.960   17.911   7.1857   10.095   2.3761   12.957   14.615   16.103   51.638   22.997   66.283   27.466 -14.64464 35.82185 
1 1 1  -22   31   19 o   74.020   17.655   21.292   8.8091   28.333   12.323   13.932   12.598   85.503   25.055   62.537   24.879 22.96561 35.30919 
1 1 1  -22   31   20 o  104.926   15.794   40.438   8.8739   48.542   12.492   32.184   12.608  120.052   19.257   89.800   25.040 30.25173 31.58824 
1 1 1  -22   31   21 o   50.040   15.718   4.3439   8.4658   3.7839   11.406   5.0308   12.632   48.819   21.668   51.261   22.775 -2.442135 31.43532 
1 1 1  -22   31   22 o   45.634   14.467   0.2763   7.6379   5.2116   10.088  -6.3522   11.691   49.697   21.225   41.571   19.665 8.126297 28.93446 
1 1 1  -22   31   23 f   52.320   16.009   5.5468   8.3568   7.3339   11.528   3.5679   12.131   54.009   22.864   50.631   22.415 3.377934 32.01867 
1 1 1  -22   31   24 o   52.541   15.982   5.5367   8.3777   0.2110   11.677   11.185   12.026   46.571   21.184   58.511   23.936 -11.94033 31.96355 
1 1 1  -22   31   25 o   47.583   16.204  -4.7345   10.364  -2.5766   21.716  -5.3711   11.794   53.512   25.719   41.653   19.718 11.85910 32.40775 
1 1 1  -22   31   26 o   37.623   13.313 -19.9531   9.6190 -18.9954   11.257 -22.5450   18.519   33.037   16.404   42.209   20.973 -9.172417 26.62637 
1 1 1  -22   32    1 o   63.568   17.394   13.069   8.5985   15.363   11.101   9.6306   13.594   66.932   24.072   60.205   25.115 6.727127 34.78801 
1 1 1  -22   32    2 o  132.624   14.109   56.770   9.6150   58.581   12.543   54.189   14.972  138.594   16.749  126.654   22.711 11.93935 28.21885 
1 1 1  -22   32    3 o   63.369   17.281   12.918   8.5833   16.119   10.842   7.5428   14.049   68.306   23.862   58.432   25.004 9.873772 34.56269 
1 1 1  -22   32    4 o   59.877   17.369   8.7666   8.6155   5.2365   10.637   15.498   14.689   52.089   22.002   67.665   26.882 -15.57568 34.73802 
1 1 1  -22   32    5 o   57.879   16.686   8.0124   8.9322   15.009   11.376  -3.2365   14.424   66.274   24.288   49.484   22.887 16.78968 33.37257 
1 1 1  -22   32    6 o   65.697   16.913   13.757   8.9224   23.401   11.699   0.3493   13.794   80.192   24.628   51.203   23.186 28.98871 33.82505 
1 1 1  -22   32    7 o   49.566   15.944  -0.4168   9.3535   1.0565   12.573  -2.2428   13.997   49.910   22.409   49.221   22.688 0.6889915 31.88897 
1 1 1  -22   32    8 o   40.191   13.620 -16.2802   9.2632  -0.7511   11.934 -39.8198   14.693   47.076   21.414   33.307   16.836 13.76886 27.23977 
1 1 1  -22   32    9 o   49.646   15.871   1.4019   8.9889   3.1779   11.347  -1.5905   14.729   49.494   21.806   49.799   23.066 -0.3055573 31.74217 
1 1 1  -22   32   10 o   63.404   16.792   11.396   9.0393   26.847   13.021  -2.9757   12.558   81.445   26.121   45.363   21.110 36.08178 33.58430 
1 1 1  -22   32   11 o   44.862   14.674  -4.3420   8.7009   5.6126   12.438 -13.8817   12.176   52.061   22.887   37.664   18.371 14.39711 29.34815 
1 1 1  -22   32   12 o   79.459   16.473   24.910   8.5370   37.084   11.895   11.981   12.259  100.398   22.485   58.521   24.079 41.87716 32.94510 
1 1 1  -22   32   13 o   91.366   17.048   32.235   8.5297   28.488   11.491   36.834   12.730   85.311   23.946   97.420   24.271 -12.10872 34.09542 
1 1 1  -22   32   14 o   69.584   17.454   19.504   8.2596   20.673   11.272   18.149   12.138   71.994   24.359   67.173   25.003 4.821335 34.90756 
1 1 1  -22   32   15 o   53.504   15.383   4.0603   7.8865  -7.9570   10.759   18.016   11.594   38.751   18.483   68.257   24.595 -29.50609 30.76548 
1 1 1  -22   32   16 o   67.317   17.635   17.105   8.4764   16.465   11.302   17.927   12.815   66.474   24.232   68.161   25.628 -1.687248 35.27017 
1 1 1  -22   32   17 o   58.115   16.608   10.546   8.0733   8.4589   11.037   12.948   11.840   54.948   22.751   61.283   24.201 -6.335079 33.21626 
1 1 1  -22   32   18 o   72.503   17.667   20.483   8.3968   17.872   11.435   23.538   12.370   68.253   24.443   76.754   25.515 -8.500969 35.33397 
1 1 1  -22   32   19 o   88.694   16.567   29.775   7.9889   28.484   10.499   31.550   12.313   87.966   22.112   89.422   24.676 -1.456001 33.13332 
1 1 1  -22   32   20 o   41.704   13.812  -3.3330   7.8060  -1.1270   10.216  -6.4273   12.100   42.199   19.426   41.208   19.639 0.9915466 27.62397 
1 1 1  -22   32   21 o   43.486   14.296  -2.2105   8.2888   2.7414   11.225  -8.1485   12.292   46.774   21.072   40.197   19.327 6.576870 28.59277 
1 1 1  -22   33    1 o  100.896   14.829   34.083   8.0934   20.101   10.637   53.308   12.473   73.013   23.629  128.779   17.924 -55.76660 29.65736 
1 1 1  -22   33    2 o   42.913   14.099  -3.4149   7.8770  -1.5489   10.473  -5.8457   11.953   43.346   19.848   42.479   20.030 0.8677788 28.19831 
1 1 1  -22   33    3 o   65.173   17.146   14.922   8.1021   10.238   10.640   21.386   12.499   56.915   22.791   73.432   25.622 -16.51764 34.29146 
1 1 1  -22   33    4 o   38.694   13.198 -12.3596   8.0272 -18.7845   10.509  -3.3594   12.438   32.376   16.036   45.013   20.967 -12.63745 26.39672 
1 1 1  -22   33    5 o   41.357   13.680  -5.4894   7.8380   0.0900   10.285 -13.2173   12.105   44.500   20.097   38.213   18.566 6.286892 27.36064 
1 1 1  -22   33    6 o   91.627   16.372   30.140   8.1613   23.190   10.746   39.614   12.546   78.428   23.502  104.826   22.798 -26.39761 32.74334 
1 1 1  -22   33    7 o  142.495   11.720   63.873   8.9878   61.275   12.100   67.070   13.424  139.981   15.997  145.009   17.131 -5.028549 23.43902 
1 1 1  -22   33    8 o   59.233   16.801   12.204   8.1637   12.581   10.744   11.688   12.558   59.614   23.198   58.853   24.310 0.7606239 33.60218 
1 1 1  -22   33    9 o   53.480   15.954   7.5850   8.2109   12.373   10.911   1.3337   12.468   58.975   23.251   47.984   21.851 10.99053 31.90719 
1 1 1  -22   33   10 o   60.107   16.809   12.879   7.9847   9.8028   10.364   17.371   12.525   54.855   22.305   65.359   25.154 -10.50388 33.61880 
1 1 1  -22   33   11 o   82.274   16.461   26.997   8.3847   38.252   11.818   15.590   11.898  101.901   22.099   62.647   24.403 39.25393 32.92179 
1 1 1  -22   33   12 o  102.112   16.601   40.411   8.9685   42.787   12.150   37.566   13.294  108.402   21.501   95.822   25.301 12.57967 33.20294 
1 1 1  -22   33   13 o   63.785   16.169   15.933   7.9431   23.790   10.586   5.8138   12.015   77.053   23.382   50.518   22.339 26.53501 32.33765 
1 1 1  -21    0    1 o  214.624   4.0862  124.745   6.6909  124.745   6.6909  124.745   6.6909  214.624   5.7787  214.624   5.7787 0.000000 0.000000 
1 1 1  -21    0    2 o  147.667   4.2370   59.215   4.7634   59.215   4.7634   59.215   4.7634  147.667   5.9920  147.667   5.9920 0.000000 0.000000 
1 1 1  -21    0    3 o  239.606   4.2084  155.426   7.6951  155.426   7.6951  155.426   7.6951  239.606   5.9516  239.606   5.9516 0.000000 0.000000 
1 1 1  -21    0    4 o  1379.31   16.456  5157.20  173.342  5157.20  173.342  5157.20  173.342  1379.31   23.272  1379.31   23.272 0.000000 0.000000 
1 1 1  -21    0    5 o  329.324   4.8781  293.473   12.264  293.473   12.264  293.473   12.264  329.324   6.8987  329.324   6.8987 0.000000 0.000000 
1 1 1  -21    0    8 o   82.899   9.9863   20.122   5.7750   20.122   5.7750   20.122   5.7750   82.899   14.123   82.899   14.123 0.000000 0.000000 
1 1 1  -21    0    9 o  309.471   4.7208  259.170   11.153  259.170   11.153  259.170   11.153  309.471   6.6762  309.471   6.6762 0.000000 0.000000 
1 1 1  -21    0   10 o  236.799   4.3302  151.828   7.8240  151.828   7.8240  151.828   7.8240  236.799   6.1238  236.799   6.1238 0.000000 0.000000 
1 1 1  -21    0   11 o  132.880   4.9412   48.111   4.9859   48.111   4.9859   48.111   4.9859  132.880   6.9879  132.880   6.9879 0.000000 0.000000 
1 1 1  -21    0   12 o  1235.28   14.783  4133.27  139.462  4133.27  139.462  4133.27  139.462  1235.28   20.907  1235.28   20.907 0.000000 0.000000 
1 1 1  -21    0   14 o  166.175   4.8218   74.999   6.0998   74.999   6.0998   74.999   6.0998  166.175   6.8191  166.175   6.8191 0.000000 0.000000 
1 1 1  -21    0   15 o  185.483   4.6975   93.328   6.6391   93.328   6.6391   93.328   6.6391  185.483   6.6432  185.483   6.6432 0.000000 0.000000 
1 1 1  -21    0   16 o  1520.29   18.122  6267.58  210.403  6267.58  210.403  6267.58  210.403  1520.29   25.628  1520.29   25.628 0.000000 0.000000 
1 1 1  -21    0   17 o  397.638   5.6374  427.837   17.115  427.837   17.115  427.837   17.115  397.638   7.9725  397.638   7.9725 0.000000 0.000000 
1 1 1  -21    0   18 o  982.576   11.888  2614.02   89.208  2614.02   89.208  2614.02   89.208  982.576   16.813  982.576   16.813 0.000000 0.000000 
1 1 1  -21    0   19 o  479.263   6.4355  621.489   23.551  621.489   23.551  621.489   23.551  479.263   9.1011  479.263   9.1011 0.000000 0.000000 
1 1 1  -21    0   20 o  576.281   7.4070  898.605   32.595  898.605   32.595  898.605   32.595  576.281   10.475  576.281   10.475 0.000000 0.000000 
1 1 1  -21    0   21 o  292.741   5.0685  232.011   11.323  232.011   11.323  232.011   11.323  292.741   7.1679  292.741   7.1679 0.000000 0.000000 
1 1 1  -21    0   22 o  477.519   6.4636  617.013   23.567  617.013   23.567  617.013   23.567  477.519   9.1409  477.519   9.1409 0.000000 0.000000 
1 1 1  -21    0   23 o  357.213   5.5571  345.371   15.153  345.371   15.153  345.371   15.153  357.213   7.8589  357.213   7.8589 0.000000 0.000000 
1 1 1  -21    0   24 o   71.027   15.219   16.931   7.2085   16.931   7.2085   16.931   7.2085   71.027   21.523   71.027   21.523 0.000000 0.000000 
1 1 1  -21    0   25 o  702.799   8.8375  1337.04   47.430  1337.04   47.430  1337.04   47.430  702.799   12.498  702.799   12.498 0.000000 0.000000 
1 1 1  -21    0   26 o  733.747   9.2198  1457.47   51.661  1457.47   51.661  1457.47   51.661  733.747   13.039  733.747   13.039 0.000000 0.000000 
1 1 1  -21    0   27 o  1007.71   12.256  2751.12   94.318  2751.12   94.318  2751.12   94.318  1007.71   17.333  1007.71   17.333 0.000000 0.000000 
1 1 1  -21    0   28 o  683.761   8.7798  1265.74   45.842  1265.74   45.842  1265.74   45.842  683.761   12.416  683.761   12.416 0.000000 0.000000 
1 1 1  -21    0   30 o  826.821   10.298  1851.56   65.021  1851.56   65.021  1851.56   65.021  826.821   14.563  826.821   14.563 0.000000 0.000000 
1 1 1  -21    0   31 o  368.161   6.2384  367.083   17.529  367.083   17.529  367.083   17.529  368.161   8.8225  368.161   8.8225 0.000000 0.000000 
1 1 1  -21    0   32 o  227.356   6.6084  140.476   11.438  140.476   11.438  140.476   11.438  227.356   9.3458  227.356   9.3458 0.000000 0.000000 
1 1 1  -21    0   33 o   44.841   17.752   7.3542   9.1323   7.3542   9.1323   7.3542   9.1323   44.841   25.105   44.841   25.105 0.000000 0.000000 
1 1 1  -21    0   34 o  439.049   6.4470  521.991   21.610  521.991   21.610  521.991   21.610  439.049   9.1174  439.049   9.1174 0.000000 0.000000 
1 1 1  -21    0   35 f  118.321   10.338   39.622   8.9642   39.622   8.9642   39.622   8.9642  118.321   14.620  118.321   14.620 0.000000 0.000000 
1 1 1  -21    0   36 o  177.859   12.045   88.131   16.026   88.131   16.026   88.131   16.026  177.859   17.034  177.859   17.034 0.000000 0.000000 
1 1 1  -21    0   39 o  403.520   6.1093  441.225   18.819  441.225   18.819  441.225   18.819  403.520   8.6398  403.520   8.6398 0.000000 0.000000 
1 1 1  -21    0   40 o  157.017   7.2301   67.614   8.5911   67.614   8.5911   67.614   8.5911  157.017   10.225  157.017   10.225 0.000000 0.000000 
1 1 1  -21    0   41 o   79.845   15.430   20.818   8.1395   20.818   8.1395   20.818   8.1395   79.845   21.821   79.845   21.821 0.000000 0.000000 
1 1 1  -21    0   42 o  261.686   5.6023  185.893   11.180  185.893   11.180  185.893   11.180  261.686   7.9228  261.686   7.9228 0.000000 0.000000 
1 1 1  -21    0   43 o   96.544   10.924   27.207   7.4407   27.207   7.4407   27.207   7.4407   96.544   15.449   96.544   15.449 0.000000 0.000000 
1 1 1  -21    0   44 o  255.984   5.7649  178.017   11.252  178.017   11.252  178.017   11.252  255.984   8.1528  255.984   8.1528 0.000000 0.000000 
1 1 1  -21    0   45 o   41.002   15.935   6.4906   7.2063   6.4906   7.2063   6.4906   7.2063   41.002   22.536   41.002   22.536 0.000000 0.000000 
1 1 1  -21    0   46 o   60.593   16.840   13.880   7.4780   13.880   7.4780   13.880   7.4780   60.593   23.815   60.593   23.815 0.000000 0.000000 
1 1 1  -21    0   47 o  100.058   10.190   28.940   7.3220   28.940   7.3220   28.940   7.3220  100.058   14.410  100.058   14.410 0.000000 0.000000 
1 1 1  -21    0   48 o   55.470   16.411   11.992   6.9730   11.992   6.9730   11.992   6.9730   55.470   23.209   55.470   23.209 0.000000 0.000000 
1 1 1  -21    0   49 o  151.647   7.2266   63.408   8.2874   63.408   8.2874   63.408   8.2874  151.647   10.220  151.647   10.220 0.000000 0.000000 
1 1 1  -21    0   50 o   59.765   16.272   13.485   7.0405   13.485   7.0405   13.485   7.0405   59.765   23.012   59.765   23.012 0.000000 0.000000 
1 1 1  -21    0   51 o   42.556   16.200   7.3506   7.2955   7.3506   7.2955   7.3506   7.2955   42.556   22.911   42.556   22.911 0.000000 0.000000 
1 1 1  -21    0   52 o  131.056   7.9597   47.953   7.8364   47.953   7.8364   47.953   7.8364  131.056   11.257  131.056   11.257 0.000000 0.000000 
1 1 1  -21    0   53 o  248.894   5.7746  169.061   10.957  169.061   10.957  169.061   10.957  248.894   8.1665  248.894   8.1665 0.000000 0.000000 
1 1 1  -21    0   54 o   42.173   16.064   7.3420   7.1775   7.3420   7.1775   7.3420   7.1775   42.173   22.718   42.173   22.718 0.000000 0.000000 
1 1 1  -21    0   55 o   82.145   15.167   22.332   8.2270   22.332   8.2270   22.332   8.2270   82.145   21.449   82.145   21.449 0.000000 0.000000 
1 1 1  -21    0   56 o   77.076   15.357   20.192   7.8315   20.192   7.8315   20.192   7.8315   77.076   21.718   77.076   21.718 0.000000 0.000000 
1 1 1  -21    0   57 o   57.202   17.619   13.532   7.9899   13.532   7.9899   13.532   7.9899   57.202   24.917   57.202   24.917 0.000000 0.000000 
1 1 1  -21    0   58 o   90.876   13.070   25.782   8.0324   25.782   8.0324   25.782   8.0324   90.876   18.484   90.876   18.484 0.000000 0.000000 
1 1 1  -21    0   59 o   40.625   16.438   6.7000   8.0605   6.7000   8.0605   6.7000   8.0605   40.625   23.246   40.625   23.246 0.000000 0.000000 
1 1 1  -21    0   60 o   42.697   17.337   7.5781   9.0149   7.5781   9.0149   7.5781   9.0149   42.697   24.518   42.697   24.518 0.000000 0.000000 
1 1 1  -21    0   61 o  266.825   6.2620  196.362   12.737  196.362   12.737  196.362   12.737  266.825   8.8558  266.825   8.8558 0.000000 0.000000 
1 1 1  -21    0   62 o  128.662   10.209   48.173   9.7134   48.173   9.7134   48.173   9.7134  128.662   14.438  128.662   14.438 0.000000 0.000000 
1 1 1  -21    0   65 o   69.809   19.138   20.956   9.7119   20.956   9.7119   20.956   9.7119   69.809   27.066   69.809   27.066 0.000000 0.000000 
1 1 1  -21    1    1 o  311.209   4.6627  261.748   7.8405  257.820   11.027  265.765   11.150  308.848   6.6073  313.571   6.5806 -4.722992 9.325314 
1 1 1  -21    1    2 o  238.554   4.1791  153.740   5.3851  155.950   7.7450  151.672   7.4925  240.211   5.9668  236.896   5.8531 3.315582 8.358298 
1 1 1  -21    1    3 o  694.452   8.5680  1304.68   32.151  1309.84   45.671  1299.60   45.269  695.813   12.147  693.091   12.087 2.722168 17.13607 
1 1 1  -21    1    4 o  465.236   6.1041  585.106   15.344  590.074   21.905  580.320   21.499  467.173   8.6773  463.299   8.5876 3.874268 12.20828 
1 1 1  -21    1    5 o  499.902   9.1431  675.891   24.690  687.162   35.486  665.315   34.373  503.934   13.032  495.870   12.828 8.063843 18.28626 
1 1 1  -21    1    6 o  875.193   21.253  2077.70  100.509   0.0000   0.0000  2077.70  100.509  ?   ?   875.193   21.253      ?      ? 
1 1 1  -21    1    8 o  491.331   9.0737  653.118   24.090  648.874   33.928  657.432   34.211  489.722   12.821  492.940   12.843 -3.217896 18.14742 
1 1 1  -21    1    9 o  212.116   4.3155  121.568   4.9453  125.370   7.0527  117.890   6.9361  215.378   6.0599  208.854   6.1459 6.524658 8.631037 
1 1 1  -21    1   10 o  719.534   8.8739  1400.39   34.498  1412.52   49.262  1388.72   48.328  722.586   12.616  716.483   12.483 6.103271 17.74785 
1 1 1  -21    1   11 o  377.828   5.3349  385.748   10.890  379.592   15.224  392.199   15.584  374.743   7.5181  380.914   7.5713 -6.170868 10.66988 
1 1 1  -21    1   12 o  447.419   6.0096  540.472   14.517  525.284   20.028  557.285   21.071  440.807   8.4083  454.031   8.5886 -13.22345 12.01929 
1 1 1  -21    1   13 o  1367.12   16.329  5070.44  120.626  5041.51  169.595  5100.06  171.604  1363.19   23.023  1371.05   23.163 -7.858887 32.65853 
1 1 1  -21    1   14 o  531.088   6.8716  762.552   19.719  769.130   28.104  756.173   27.674  533.342   9.7515  528.833   9.6841 4.508728 13.74311 
1 1 1  -21    1   15 o  1182.87   14.188  3792.67   90.678  3766.69  127.355  3819.39  129.139  1178.77   19.994  1186.96   20.134 -8.190430 28.37502 
1 1 1  -21    1   16 o  563.782   7.2326  859.541   22.034  861.327   31.229  857.771   31.093  564.364   10.240  563.199   10.217 1.165222 14.46520 
1 1 1  -21    1   17 o  1117.13   13.431  3382.39   81.075  3391.49  114.967  3373.39  114.349  1118.62   19.020  1115.64   18.968 2.978638 26.86138 
1 1 1  -21    1   18 o  681.509   8.5051  1256.42   31.321  1250.26   44.099  1262.69   44.492  679.824   12.004  683.193   12.052 -3.369019 17.01026 
1 1 1  -21    1   19 o  871.035   10.617  2053.92   49.973  2061.44   70.941  2046.51   70.406  872.614   15.045  869.456   14.986 3.158081 21.23478 
1 1 1  -21    1   20 o  156.066   5.7318   65.824   4.8330   64.498   6.7634   67.209   6.9088  154.460   8.1033  157.673   8.1088 -3.213089 11.46365 
1 1 1  -21    1   21 o  507.708   6.7248  696.940   18.448  703.124   26.311  690.959   25.873  509.922   9.5487  505.495   9.4719 4.427063 13.44968 
1 1 1  -21    1   22 o  929.137   11.307  2338.20   56.763  2321.80   79.709  2355.06   80.854  925.842   15.932  932.432   16.047 -6.590515 22.61301 
1 1 1  -21    1   23 o  455.446   6.3182  560.927   15.549  561.040   22.032  560.814   21.949  455.491   8.9511  455.401   8.9193 0.9033203E-01 12.63636 
1 1 1  -21    1   24 o  581.153   7.5379  913.732   23.672  911.262   33.420  916.218   33.534  580.365   10.657  581.941   10.664 -1.575439 15.07579 
1 1 1  -21    1   25 o  331.647   5.6204  297.351   10.071  302.035   14.351  292.805   14.138  334.220   7.9461  329.073   7.9508 5.146576 11.24078 
1 1 1  -21    1   26 o  327.277   8.2257  289.626   14.547   0.0000   0.0000  289.626   14.547  ?   ?   327.277   8.2257      ?      ? 
1 1 1  -21    1   27 o  240.001   6.3346  155.793   8.2018  155.996   11.286  155.567   11.940  240.173   8.6958  239.829   9.2136 0.3442535 12.66914 
1 1 1  -21    1   28 o  769.045   9.6414  1601.45   40.056  1623.55   57.437  1580.52   55.890  774.196   13.730  763.894   13.540 10.30255 19.28278 
1 1 1  -21    1   29 o  488.252   9.8463  644.943   25.978  644.943   25.978   0.0000   0.0000  488.252   9.8463  ?   ?       ?      ? 
1 1 1  -21    1   30 o  482.173   6.9484  628.484   18.085  618.177   24.918  639.956   26.288  478.012   9.6467  486.335   10.003 -8.323151 13.89689 
1 1 1  -21    1   31 o  460.340   6.7496  573.375   16.789  580.745   23.888  566.181   23.601  463.263   9.5424  457.417   9.5484 5.846313 13.49918 
1 1 1  -21    1   32 o  680.746   8.7101  1255.29   32.036  1242.05   44.872  1269.06   45.753  677.092   12.264  684.400   12.372 -7.307983 17.42017 
1 1 1  -21    1   33 o  348.633   6.0367  328.807   11.370  326.769   15.898  330.941   16.269  347.532   8.4654  349.735   8.6085 -2.203156 12.07349 
1 1 1  -21    1   34 o  404.239   6.2338  442.261   13.616  435.913   19.148  448.755   19.367  401.304   8.8298  407.174   8.8021 -5.870300 12.46768 
1 1 1  -21    1   35 o  278.876   5.8241  210.473   8.7760  213.439   12.497  207.586   12.327  280.815   8.2354  276.938   8.2376 3.877136 11.64812 
1 1 1  -21    1   36 o  340.914   8.8523  313.135   16.249  348.423   24.164  284.009   21.953  358.326   12.480  323.503   12.558 34.82266 17.70453 
1 1 1  -21    1   39 o  271.940   5.8505  200.489   8.5912  203.996   11.994  196.794   12.312  274.401   8.0887  269.479   8.4550 4.921783 11.70109 
1 1 1  -21    1   40 o  543.618   7.3423  802.291   21.565  792.524   30.173  812.489   30.833  540.250   10.335  546.987   10.432 -6.737366 14.68465 
1 1 1  -21    1   41 o  373.295   5.9169  377.935   11.935  376.304   16.907  379.554   16.850  372.487   8.4000  374.103   8.3353 -1.615967 11.83372 
1 1 1  -21    1   42 o  110.078   9.6399   33.564   5.6551   28.497   8.2344   38.087   7.7799  101.981   14.943  118.174   12.183 -16.19344 19.27986 
1 1 1  -21    1   43 o  470.411   6.6140  601.220   16.811  596.784   23.610  605.782   23.943  468.660   9.3229  472.162   9.3843 -3.502258 13.22808 
1 1 1  -21    1   44 o  128.792   8.2385   45.392   5.7173   42.807   8.2362   47.796   7.9427  125.185   12.176  132.400   11.102 -7.215523 16.47701 
1 1 1  -21    1   45 o  300.275   5.6679  244.747   9.1922  236.726   12.768  253.378   13.244  295.174   8.0051  305.375   8.0262 -10.20114 11.33584 
1 1 1  -21    1   46 o  159.501   6.8539   69.359   5.9071   68.737   8.3647   69.977   8.3431  158.780   9.7491  160.222   9.6364 -1.442398 13.70785 
1 1 1  -21    1   47 o   75.193   12.504   16.352   4.9944   15.563   6.9406   17.200   7.1923   73.295   17.719   77.091   17.647 -3.795761 25.00764 
1 1 1  -21    1   48 o  235.869   5.7982  151.527   7.3847  151.306   10.247  151.765   10.652  235.726   8.0445  236.012   8.3523 -0.2858734 11.59634 
1 1 1  -21    1   49 o   48.028   12.427   1.3978   5.2118  -8.9818   7.3950   11.641   7.3464   32.351   15.400   63.706   19.508 -31.35493 24.85417 
1 1 1  -21    1   50 o  136.376   7.7747   51.006   5.7117   45.673   7.8781   56.916   8.2930  128.809   11.319  143.942   10.662 -15.13321 15.54947 
1 1 1  -21    1   51 o  185.073   6.5212   93.999   6.4839  107.065   9.2767   81.520   9.0661  197.814   8.6786  172.331   9.7358 25.48300 13.04235 
1 1 1  -21    1   52 o  138.332   7.5403   52.670   5.6234   47.897   7.7668   57.929   8.1525  131.691   10.914  144.972   10.407 -13.28024 15.08063 
1 1 1  -21    1   53 o  125.546   8.3175   44.325   5.5128   55.381   7.8424   33.525   7.7509  141.634   10.247  109.457   13.104 32.17619 16.63509 
1 1 1  -21    1   54 o  202.034   6.3795  111.851   6.9489  105.911   9.4469  118.854   10.258  196.258   8.9079  207.810   9.1346 -11.55243 12.75901 
1 1 1  -21    1   55 o   40.692   12.231  -2.3808   5.2499 -10.3607   7.3835   5.7785   7.4661   30.822   14.859   50.562   19.431 -19.73962 24.46118 
1 1 1  -21    1   56 o   84.429   12.352   21.450   5.5381   25.270   7.7030   17.363   7.9679   93.829   15.193   75.028   19.481 18.80142 24.70466 
1 1 1  -21    1   57 o   61.918   14.398   11.557   5.5882   10.478   7.8754   12.651   7.9307   59.617   20.360   64.220   20.363 -4.602448 28.79558 
1 1 1  -21    1   58 o  112.416   9.8917   36.198   5.9961   38.602   8.4550   33.766   8.5047  116.416   13.440  108.417   14.517 7.999115 19.78344 
1 1 1  -21    1   59 o  317.081   6.0283  277.944   10.316  289.297   15.057  267.902   14.162  323.079   8.6246  311.082   8.4247 11.99667 12.05655 
1 1 1  -21    1   60 o  147.684   8.6161   61.579   6.8239   73.142   10.172   52.117   9.2016  160.449   11.733  134.919   12.621 25.52919 17.23213 
1 1 1  -21    1   61 o  180.611   7.4127   92.469   7.2339   90.812   10.197   94.149   10.264  178.930   10.546  182.291   10.420 -3.361069 14.82548 
1 1 1  -21    1   62 o   55.183   21.092   8.4337   8.7678   8.4337   8.7678   0.0000   0.0000   55.183   21.092  ?   ?       ?      ? 
1 1 1  -21    1   65 o   97.879   15.336   34.487   7.7375   36.532   12.471   33.207   9.8663   97.425   23.874   98.332   19.257 -0.9072037 30.67298 
1 1 1  -21    2    1 o  331.685   4.8495  297.269   8.6882  300.492   12.495  294.252   12.089  333.424   6.9350  329.946   6.7805 3.477356 9.698926 
1 1 1  -21    2    2 o  647.194   8.0507  1132.44   28.146  1112.85   39.201  1153.28   40.437  641.425   11.310  652.963   11.461 -11.53821 16.10149 
1 1 1  -21    2    3 o  302.828   4.6319  247.825   7.5775  249.443   10.861  246.290   10.577  303.790   6.6161  301.866   6.4843 1.924042 9.263855 
1 1 1  -21    2    4 o  146.261   6.0521   57.877   4.7748   57.095   6.9363   58.581   6.5827  145.318   8.8332  147.204   8.2756 -1.885712 12.10416 
1 1 1  -21    2    5 o  641.198   11.298  1113.26   39.145  1108.78   55.195  1117.79   55.526  639.902   15.962  642.494   15.993 -2.591675 22.59620 
1 1 1  -21    2    6 o  324.604   9.5702  284.910   16.787   0.0000   0.0000  284.910   16.787  ?   ?   324.604   9.5702      ?      ? 
1 1 1  -21    2    7 f  235.015   6.3467  148.048   8.0113  160.721   12.169  138.356   10.643  243.809   9.2370  226.220   8.7065 17.58952 12.69348 
1 1 1  -21    2    8 o  261.249   6.2848  184.297   8.8668  176.824   12.298  192.387   12.796  255.740   8.8988  266.758   8.8773 -11.01752 12.56959 
1 1 1  -21    2    9 o  762.961   11.478  1574.75   44.567  1572.06   54.509  1580.18   77.402  762.251   13.234  763.671   18.757 -1.420227 22.95532 
1 1 1  -21    2   10 o  381.851   5.3806  394.015   11.100  399.695   15.898  388.613   15.505  384.534   7.6510  379.168   7.5674 5.366180 10.76119 
1 1 1  -21    2   11 o  937.552   11.346  2379.64   57.482  2371.56   81.059  2387.81   81.527  935.953   16.027  939.150   16.065 -3.196289 22.69265 
1 1 1  -21    2   12 o  955.596   11.554  2472.12   59.656  2487.91   84.978  2456.77   83.769  958.597   16.405  952.594   16.274 6.002014 23.10766 
1 1 1  -21    2   13 o  239.995   4.5610  155.529   5.9119  149.008   8.2310  162.477   8.4966  234.803   6.4872  245.187   6.4130 -10.38336 9.121989 
1 1 1  -21    2   14 o  482.985   6.3819  630.516   16.652  637.832   23.871  623.582   23.240  485.711   9.0950  480.260   8.9551 5.451355 12.76376 
1 1 1  -21    2   15 o  521.193   6.7840  734.268   19.101  744.531   27.383  724.541   26.658  524.737   9.6573  517.650   9.5303 7.086792 13.56793 
1 1 1  -21    2   16 o  408.886   5.7117  451.893   12.618  456.519   18.019  447.440   17.676  410.938   8.1144  406.834   8.0406 4.104309 11.42340 
1 1 1  -21    2   17 o  595.246   7.5885  957.770   24.398  974.819   35.120  941.865   33.920  600.359   10.826  590.134   10.637 10.22461 15.17701 
1 1 1  -21    2   18 o  985.262   11.918  2629.19   63.451  2642.71   90.261  2615.99   89.214  987.757   16.911  982.767   16.799 4.989807 23.83675 
1 1 1  -21    2   19 o  284.075   4.9383  217.606   7.5699  208.492   10.375  227.982   11.070  277.731   6.9129  290.419   7.0541 -12.68872 9.876647 
1 1 1  -21    2   20 o  109.493   6.9886   32.628   4.1078   35.886   5.7085   29.129   5.9157  115.205   9.1699  103.782   10.549 11.42339 13.97716 
1 1 1  -21    2   21 o  754.650   9.3343  1541.12   38.062  1531.89   53.523  1550.56   54.139  752.367   13.165  756.933   13.236 -4.565369 18.66852 
1 1 1  -21    2   22 o  682.981   8.5726  1262.18   31.638  1260.36   44.712  1264.00   44.774  682.489   12.124  683.473   12.123 -0.9841919 17.14520 
1 1 1  -21    2   23 o  764.135   9.4681  1580.73   39.095  1583.58   55.432  1577.90   55.145  764.819   13.413  763.451   13.367 1.367859 18.93628 
1 1 1  -21    2   24 o  648.289   8.2379  1136.66   28.845  1115.15   40.061  1159.81   41.567  641.933   11.549  654.645   11.750 -12.71149 16.47575 
1 1 1  -21    2   25 o  380.960   5.8470  392.335   12.034  386.823   16.828  398.105   17.217  378.223   8.2338  383.697   8.3039 -5.473633 11.69402 
1 1 1  -21    2   26 o  384.560   6.0495  399.528   12.565  415.911   18.080  384.227   17.474  392.178   8.5318  376.942   8.5789 15.23575 12.09908 
1 1 1  -21    2   27 o  518.493   7.0857  727.193   19.850  722.663   27.836  731.880   28.316  516.853   9.9667  520.132   10.074 -3.278503 14.17145 
1 1 1  -21    2   28 o  284.940   6.2744  219.327   9.6392  215.714   13.151  223.522   14.170  282.416   8.6175  287.464   9.1220 -5.048309 12.54878 
1 1 1  -21    2   29 o  402.152   8.9232  437.432   19.391  437.432   19.391   0.0000   0.0000  402.152   8.9232  ?   ?       ?      ? 
1 1 1  -21    2   30 o  426.768   6.6306  492.757   15.290  497.233   21.561  488.230   21.685  428.721   9.3069  424.815   9.4466 3.906738 13.26112 
1 1 1  -21    2   31 o  326.970   6.2239  289.262   10.983  289.666   15.158  288.817   15.934  327.221   8.5728  326.718   9.0254 0.5026855 12.44789 
1 1 1  -21    2   32 o  428.816   6.4915  497.461   15.040  506.857   21.457  488.385   21.088  432.797   9.1746  424.836   9.1861 7.960724 12.98302 
1 1 1  -21    2   33 o  394.396   6.2559  420.976   13.330  426.467   18.774  415.393   18.932  396.997   8.7513  391.796   8.9421 5.201416 12.51190 
1 1 1  -21    2   34 o  441.276   6.4909  527.032   15.475  536.263   22.124  518.190   21.654  445.056   9.1994  437.496   9.1597 7.560272 12.98183 
1 1 1  -21    2   35 o  478.581   6.7646  619.626   17.481  638.123   25.324  602.790   24.160  485.385   9.6551  471.777   9.4771 13.60843 13.52911 
1 1 1  -21    2   36 o  458.392   13.639  570.721   33.784   0.0000   0.0000  570.721   33.784  ?   ?   458.392   13.639      ?      ? 
1 1 1  -21    2   38 o  548.872   14.830  820.721   43.984   0.0000   0.0000  820.721   43.984  ?   ?   548.872   14.830      ?      ? 
1 1 1  -21    2   39 o  248.900   5.7413  167.852   7.7217  167.880   10.888  167.825   10.953  248.922   8.0945  248.877   8.1442 0.4501343E-01 11.48260 
1 1 1  -21    2   40 o  253.414   5.7747  173.856   7.9030  166.665   10.971  181.610   11.394  247.972   8.1878  258.856   8.1455 -10.88330 11.54944 
1 1 1  -21    2   41 o  352.161   5.8704  336.303   11.169  338.855   15.983  333.867   15.613  353.456   8.3685  350.866   8.2349 2.589752 11.74079 
1 1 1  -21    2   42 o  262.194   5.6511  186.494   8.0065  185.222   11.301  187.775   11.345  261.295   8.0040  263.092   7.9798 -1.797760 11.30228 
1 1 1  -21    2   43 o  257.594   5.6852  180.038   7.9126  180.083   11.276  179.995   11.106  257.617   8.1003  257.570   7.9794 0.4650879E-01 11.37040 
1 1 1  -21    2   44 o  243.783   5.7256  161.372   7.5423  160.737   10.689  162.002   10.644  243.300   8.1303  244.266   8.0642 -0.9655151 11.45129 
1 1 1  -21    2   45 o  181.772   6.6132   89.990   6.4763   81.113   9.0583   99.272   9.2629  172.544   9.7154  190.999   8.9749 -18.45560 13.22638 
1 1 1  -21    2   46 o  292.312   5.6650  232.297   8.9481  232.872   12.645  231.720   12.664  292.678   7.9953  291.946   8.0276 0.7320557 11.32993 
1 1 1  -21    2   47 o   77.745   12.696   17.532   5.2570   14.274   7.3701   20.907   7.5006   70.175   18.979   85.314   16.868 -15.13854 25.39109 
1 1 1  -21    2   48 o  373.030   5.9508  379.168   11.993  382.967   17.171  375.552   16.757  374.829   8.4778  371.230   8.3532 3.598816 11.90164 
1 1 1  -21    2   49 o  330.505   5.7654  297.835   10.296  301.380   14.571  294.299   14.551  332.485   8.1102  328.525   8.1965 3.960266 11.53072 
1 1 1  -21    2   50 o  271.684   5.6811  200.312   8.3190  184.748   11.311  218.649   12.278  260.245   8.0435  283.123   8.0251 -22.87814 11.36224 
1 1 1  -21    2   51 o  193.114   6.2970  102.158   6.5653  107.546   9.3190   96.848   9.2509  198.230   8.6998  187.998   9.1063 10.23254 12.59410 
1 1 1  -21    2   52 o  222.837   5.9791  136.008   7.1959  131.117   10.183  140.887   10.170  218.778   8.6133  226.895   8.2952 -8.117340 11.95827 
1 1 1  -21    2   53 o   47.395   13.260   4.1713   5.0454   4.9488   7.0939   3.3754   7.1774   48.689   18.877   46.100   18.627 2.588924 26.51979 
1 1 1  -21    2   54 o  221.907   6.0226  135.138   7.2178  137.279   10.409  133.156   10.017  223.557   8.6169  220.257   8.4162 3.300034 12.04511 
1 1 1  -21    2   55 o   71.381   14.032   15.653   5.6520   17.755   7.8484   13.388   8.1461   76.290   19.086   66.472   20.574 9.817825 28.06305 
1 1 1  -21    2   56 o  173.382   6.9769   83.044   6.5215   88.315   9.6320   78.582   8.8617  178.384   9.9924  168.379   9.7396 10.00529 13.95378 
1 1 1  -21    2   57 o   90.875   12.033   25.473   5.6502   15.578   8.0447   35.106   7.9377   70.616   20.112  111.134   13.218 -40.51765 24.06674 
1 1 1  -21    2   58 o  136.023   8.6573   52.108   6.3521   48.128   8.7467   56.549   9.2400  130.464   12.407  141.582   12.077 -11.11797 17.31458 
1 1 1  -21    2   59 o   46.486   13.418   2.7971   5.6079  -2.1381   7.9642   7.6504   7.8978   39.426   17.756   53.545   20.122 -14.11911 26.83603 
1 1 1  -21    2   60 o  245.469   6.3961  167.974   8.4799  164.622   12.096  171.213   11.891  242.919   9.2148  248.019   8.8727 -5.099701 12.79215 
1 1 1  -21    2   61 o  183.275   7.5031   95.609   7.3859   84.140   10.451  107.055   10.440  171.700   11.264  194.848   9.9154 -23.14813 15.00617 
1 1 1  -21    2   62 o  106.507   11.480   33.914   6.6046   34.698   9.4892   33.178   9.1983  107.650   16.313  105.363   16.156 2.286842 22.95905 
1 1 1  -21    2   65 o   62.744   16.993   14.938   7.7362   18.023   13.416   13.401   9.4691   65.448   25.789   60.040   22.136 5.407967 33.98616 
1 1 1  -21    3    1 o  621.824   7.7786  1045.77   26.137  1046.63   37.080  1044.91   36.847  622.078   11.031  621.570   10.970 0.5079346 15.55718 
1 1 1  -21    3    2 o  482.997   7.7429  624.897   18.942  613.926   22.972  648.198   33.479  476.521   8.9213  489.474   12.658 -12.95251 15.48573 
1 1 1  -21    3    3 o  518.138   9.4186  725.511   26.343  745.946   38.323  707.207   36.271  525.035   13.508  511.242   13.129 13.79303 18.83728 
1 1 1  -21    3    4 o  271.377   6.2326  198.718   9.1262  206.014   13.352  192.320   12.503  276.040   8.9510  266.713   8.6752 9.326416 12.46513 
1 1 1  -21    3    5 o  350.321   7.0956  331.801   13.430  334.910   19.209  328.829   18.783  351.924   10.101  348.718   9.9678 3.205719 14.19119 
1 1 1  -21    3    6 o  1159.38   13.900  3642.79   87.072  3609.58  122.063  3677.21  124.241  1154.01   19.574  1164.74   19.740 -10.72974 27.79975 
1 1 1  -21    3    7 o  546.611   9.9117  808.552   29.275  809.459   41.556  807.658   41.249  546.913   14.061  546.309   13.973 0.6035767 19.82332 
1 1 1  -21    3    8 o  620.795   11.045  1037.97   36.917  984.459   49.703  1103.83   55.135  603.066   15.252  638.524   15.979 -35.45807 22.08996 
1 1 1  -21    3    9 o  689.633   10.505  1281.83   36.727  1271.81   44.685  1302.70   64.477  685.700   12.060  693.566   17.204 -7.866455 21.00989 
1 1 1  -21    3   10 o  1064.17   12.798  3067.29   73.591  3048.33  103.463  3086.71  104.696  1060.85   18.049  1067.49   18.150 -6.642090 25.59645 
1 1 1  -21    3   11 o  764.265   9.3864  1579.97   38.757  1596.72   55.444  1563.96   54.199  768.219   13.356  760.310   13.192 7.908997 18.77281 
1 1 1  -21    3   12 o  466.220   6.2102  587.363   15.641  575.987   21.822  599.385   22.432  461.580   8.7488  470.860   8.8163 -9.279480 12.42048 
1 1 1  -21    3   13 f  464.617   6.2095  583.447   15.586  590.107   22.346  577.138   21.749  467.196   8.8514  462.038   8.7110 5.157776 12.41892 
1 1 1  -21    3   14 o  973.474   11.769  2566.16   61.906  2580.90   88.117  2551.80   86.991  976.226   16.704  970.723   16.584 5.502808 23.53849 
1 1 1  -21    3   15 o  1009.00   12.185  2757.66   66.435  2765.92   94.298  2749.51   93.611  1010.50   17.270  1007.51   17.195 2.991943 24.36992 
1 1 1  -21    3   16 o  809.322   9.9243  1772.71   43.401  1766.80   61.188  1778.70   61.570  807.966   14.015  810.679   14.055 -2.712463 19.84851 
1 1 1  -21    3   17 o  1092.06   13.150  3231.81   77.596  3249.15  110.404  3214.89  109.082  1094.95   18.660  1089.18   18.534 5.765625 26.29985 
1 1 1  -21    3   18 o  523.762   6.8729  741.421   19.444  729.239   27.037  754.471   27.984  519.312   9.6347  528.212   9.8041 -8.899963 13.74581 
1 1 1  -21    3   19 o  659.390   8.2875  1175.97   29.525  1164.06   41.341  1188.36   42.182  655.989   11.663  662.791   11.778 -6.802368 16.57501 
1 1 1  -21    3   20 o  358.077   5.4076  345.846   10.449  332.404   14.329  361.115   15.271  350.663   7.5618  365.490   7.7323 -14.82611 10.81522 
1 1 1  -21    3   21 o  796.677   9.8118  1717.95   42.238  1707.00   59.424  1729.14   60.048  794.113   13.848  799.242   13.904 -5.128845 19.62355 
1 1 1  -21    3   22 o  353.075   5.5119  336.909   10.513  331.865   14.668  342.237   15.077  350.360   7.7478  355.790   7.8420 -5.430054 11.02382 
1 1 1  -21    3   23 o  154.645   6.5410   64.688   5.4628   61.882   7.6960   67.536   7.7555  151.263   9.4155  158.028   9.0822 -6.765106 13.08195 
1 1 1  -21    3   24 o  499.582   6.7381  674.974   18.188  667.980   25.511  682.203   25.939  496.952   9.5000  502.212   9.5581 -5.259399 13.47617 
1 1 1  -21    3   25 o  1033.12   12.523  2894.58   69.912  2891.69   98.797  2897.49   98.943  1032.60   17.706  1033.64   17.715 -1.032227 25.04610 
1 1 1  -21    3   26 o  684.755   8.6788  1268.85   32.107  1284.47   45.934  1253.92   44.897  688.869   12.340  680.641   12.207 8.227539 17.35761 
1 1 1  -21    3   27 o  484.235   6.8238  633.692   17.837  621.574   24.582  647.167   25.922  479.360   9.4901  489.110   9.8078 -9.749664 13.64751 
1 1 1  -21    3   28 o  425.101   6.4463  488.650   14.800  484.080   20.563  493.560   21.319  423.046   8.9953  427.156   9.2360 -4.109528 12.89263 
1 1 1  -21    3   29 o  626.091   8.1834  1060.75   27.681  1076.54   39.603  1045.67   38.706  630.641   11.621  621.542   11.525 9.099487 16.36674 
1 1 1  -21    3   30 o  482.534   6.9037  630.029   18.000  637.712   25.487  622.383   25.425  485.473   9.7155  479.596   9.8108 5.877045 13.80733 
1 1 1  -21    3   31 o  353.158   6.2167  337.323   11.858  352.564   16.931  322.651   16.612  360.991   8.6797  345.326   8.9024 15.66541 12.43336 
1 1 1  -21    3   32 o  490.247   6.9258  650.246   18.339  642.947   25.483  658.086   26.411  487.405   9.6756  493.089   9.9122 -5.684113 13.85168 
1 1 1  -21    3   33 o  453.916   6.5897  556.692   16.148  580.879   23.474  534.966   22.248  463.254   9.3775  444.579   9.2607 18.67471 13.17943 
1 1 1  -21    3   34 o  525.991   7.1679  749.290   20.369  756.607   29.155  742.313   28.469  528.490   10.209  523.493   10.064 4.996765 14.33570 
1 1 1  -21    3   35 o  557.669   7.4731  842.718   22.519  836.143   31.665  849.447   32.031  555.471   10.550  559.867   10.588 -4.395630 14.94625 
1 1 1  -21    3   38 o   79.922   17.139   17.330   8.4197   9.9009   11.975   24.595   11.841   67.194   24.869   92.649   23.589 -25.45558 34.27738 
1 1 1  -21    3   39 o  138.387   8.5205   52.530   6.2526   65.041   8.9357   40.527   8.7521  154.770   10.685  122.005   13.275 32.76463 17.04095 
1 1 1  -21    3   40 o  176.208   6.4901   84.129   6.1747   88.938   8.8970   79.661   8.5766  181.066   9.0932  171.349   9.2628 9.717026 12.98023 
1 1 1  -21    3   41 o  401.454   6.0896  437.046   13.205  446.390   19.005  428.323   18.362  405.589   8.6714  397.319   8.5523 8.269379 12.17930 
1 1 1  -21    3   42 o  233.825   5.7417  148.345   7.2546  149.430   10.269  147.264   10.250  234.681   8.0979  232.968   8.1421 1.712524 11.48343 
1 1 1  -21    3   43 o  242.023   5.8014  158.904   7.5853  162.404   10.871  155.583   10.589  244.616   8.2246  239.430   8.1841 5.186111 11.60271 
1 1 1  -21    3   44 o  256.960   5.7167  179.278   7.9324  180.285   11.445  178.348   11.004  257.632   8.2212  256.289   7.9457 1.343018 11.43338 
1 1 1  -21    3   45 o  296.491   5.6767  239.005   9.0908  234.042   12.957  243.817   12.758  293.427   8.1715  299.556   7.8820 -6.128235 11.35335 
1 1 1  -21    3   46 o  295.690   5.6429  237.638   9.0131  228.866   12.641  246.709   12.855  290.122   8.0631  301.259   7.8966 -11.13611 11.28586 
1 1 1  -21    3   47 o   52.136   13.692   5.9520   5.2046   7.9503   7.3087   3.8961   7.4132   55.902   19.588   48.370   19.135 7.532578 27.38306 
1 1 1  -21    3   48 o  115.113   8.5970   36.574   5.3275   33.124   7.5582   39.981   7.5104  109.595   12.763  120.632   11.522 -11.03711 17.19392 
1 1 1  -21    3   49 o  172.330   6.5368   81.196   6.0862   83.036   8.6235   79.370   8.5910  174.295   9.1561  170.366   9.3320 3.929062 13.07364 
1 1 1  -21    3   50 o  159.204   6.9697   69.329   5.9819   76.323   8.6687   62.971   8.2650  166.908   9.6115  151.500   10.096 15.40848 13.93942 
1 1 1  -21    3   51 o  108.677   9.0808   32.849   5.3293   32.439   7.6432   33.236   7.4348  107.955   13.102  109.399   12.577 -1.443871 18.16153 
1 1 1  -21    3   52 o  330.322   5.8088  298.583   10.368  296.152   14.676  301.006   14.650  328.958   8.2560  331.685   8.1736 -2.726990 11.61763 
1 1 1  -21    3   53 o   81.266   12.621   19.614   5.4007   23.047   7.8656   16.552   7.4286   88.353   17.093   74.178   18.574 14.17472 25.24231 
1 1 1  -21    3   54 o   52.972   13.980   6.3962   5.5250   9.9578   7.8979   2.9829   7.7317   59.397   20.388   46.547   19.134 12.84949 27.96007 
1 1 1  -21    3   55 o  197.329   6.3019  107.326   6.7148  106.865   9.6702  107.756   9.3312  196.840   9.0914  197.817   8.7294 -0.9768829 12.60385 
1 1 1  -21    3   56 o   53.791   12.255   4.7365   5.3459   16.890   7.5040  -7.7880   7.6177   74.180   18.720   33.403   15.822 40.77676 24.51098 
1 1 1  -21    3   57 o  210.051   6.2722  121.662   7.1083  130.908   10.358  113.431   9.7726  217.606   8.8090  202.497   8.9311 15.10965 12.54446 
1 1 1  -21    3   58 o  196.302   6.8354  107.143   7.2451  108.024   10.078  106.201   10.423  197.256   9.4550  195.347   9.8738 1.908829 13.67075 
1 1 1  -21    3   59 o   81.634   13.724   21.125   5.9912   23.834   8.4149   18.340   8.5319   87.630   18.359   75.637   20.405 11.99361 27.44798 
1 1 1  -21    3   60 o   82.406   13.853   21.788   6.0682   22.658   8.8917   21.029   8.3020   83.759   19.934   81.054   19.242 2.704926 27.70617 
1 1 1  -21    3   61 o   37.134   12.127  -7.0515   6.0820 -16.0924   8.7808   1.2860   8.4323   30.379   14.975   43.888   19.078 -13.50841 24.25346 
1 1 1  -21    3   62 o  118.211   22.524   46.284   13.862   46.284   13.862   0.0000   0.0000  118.211   22.524  ?   ?       ?      ? 
1 1 1  -21    3   65 o   74.060   16.770   22.372   7.6128   20.903   12.384   23.264   9.6517   69.776   25.377   78.343   21.931 -8.566315 33.54032 
1 1 1  -21    4    1 o  196.049   5.6646  103.601   5.9912  109.167   8.7848   98.761   8.1919  200.956   8.0899  191.141   7.9312 9.815063 11.32921 
1 1 1  -21    4    2 o  730.375   12.695  1442.87   50.047  1401.58   68.828  1489.19   72.902  719.330   17.707  741.419   18.196 -22.08923 25.39011 
1 1 1  -21    4    3 o  775.580   13.431  1629.36   56.274  1604.73   78.496  1655.41   80.718  769.566   18.876  781.594   19.112 -12.02838 26.86205 
1 1 1  -21    4    4 o  370.213   6.4390  362.265   11.882  391.892   21.846  349.819   14.159  380.677   10.620  359.749   7.2838 20.92795 12.87791 
1 1 1  -21    4    5 o  570.492   7.2482  880.024   22.342  884.243   31.837  875.930   31.362  571.837   10.303  569.148   10.198 2.689453 14.49634 
1 1 1  -21    4    6 o  409.987   5.6353  454.395   12.484  452.933   17.756  455.825   17.555  409.333   8.0273  410.641   7.9114 -1.307983 11.27067 
1 1 1  -21    4    7 o  330.196   7.0662  294.232   12.595  278.378   17.393  311.712   18.264  320.861   10.032  339.530   9.9545 -18.66919 14.13240 
1 1 1  -21    4    8 o  541.063   9.8662  790.788   28.804  816.441   42.116  768.243   39.482  549.279   14.189  532.847   13.712 16.43225 19.73242 
1 1 1  -21    4    9 o  333.724   6.1353  301.845   10.503  303.526   12.974  298.649   17.890  335.106   7.1647  332.341   9.9617 2.765015 12.27060 
1 1 1  -21    4   10 o  296.492   4.7872  237.577   7.6691  233.243   10.798  241.989   10.894  293.763   6.8026  299.221   6.7374 -5.457672 9.574370 
1 1 1  -21    4   11 o  543.370   6.9978  798.218   20.545  788.709   28.838  808.018   29.278  540.085   9.8813  546.654   9.9114 -6.569763 13.99560 
1 1 1  -21    4   12 o  106.628   6.3607   30.847   3.6520   32.966   5.0844   28.590   5.2489  110.426   8.5207  102.830   9.4463 7.596382 12.72145 
1 1 1  -21    4   13 o  797.334   9.7757  1720.39   42.118  1713.51   59.388  1727.35   59.742  795.732   13.811  798.937   13.838 -3.205200 19.55133 
1 1 1  -21    4   14 o  1177.64   14.137  3759.85   89.962  3753.34  127.096  3766.38  127.355  1176.62   19.990  1178.66   19.996 -2.040039 28.27420 
1 1 1  -21    4   15 o  166.240   5.2394   74.769   4.7023   77.018   6.5814   72.423   6.7210  168.799   7.2154  163.682   7.5989 5.116989 10.47875 
1 1 1  -21    4   16 o  662.740   8.3084  1187.72   29.746  1170.27   41.494  1206.16   42.665  657.741   11.675  667.740   11.824 -9.999695 16.61674 
1 1 1  -21    4   17 o  512.557   6.7578  710.381   18.717  708.572   26.447  712.196   26.492  511.904   9.5609  513.211   9.5529 -1.307800 13.51553 
1 1 1  -21    4   18 o  429.352   5.9927  498.378   13.903  497.763   19.598  499.002   19.727  429.086   8.4523  429.619   8.4975 -0.5326233 11.98534 
1 1 1  -21    4   19 o  891.790   10.871  2152.74   52.374  2126.35   73.155  2180.50   75.015  886.195   15.277  897.384   15.470 -11.18927 21.74133 
1 1 1  -21    4   20 o  618.104   7.8808  1033.46   26.322  1034.90   37.283  1032.03   37.167  618.532   11.155  617.677   11.135 0.8551636 15.76163 
1 1 1  -21    4   21 f  822.361   10.115  1830.99   44.948  1824.61   63.429  1837.43   63.704  820.922   14.299  823.800   14.310 -2.877625 20.22977 
1 1 1  -21    4   22 o  675.607   8.5144  1234.97   31.079  1220.90   43.502  1249.64   44.418  671.683   11.986  679.532   12.096 -7.848511 17.02876 
1 1 1  -21    4   23 o  346.787   5.5134  325.118   10.330  322.637   14.468  327.699   14.754  345.439   7.7509  348.136   7.8430 -2.696533 11.02670 
1 1 1  -21    4   24 o  392.685   5.9000  416.979   12.519  417.188   17.650  416.768   17.760  392.785   8.3157  392.585   8.3720 0.2003479 11.80007 
1 1 1  -21    4   25 f  408.404   6.1070  451.063   13.477  455.097   19.045  447.018   19.073  410.235   8.5915  406.574   8.6814 3.661255 12.21393 
1 1 1  -21    4   26 o  197.590   6.5519  105.721   6.9835  108.073   9.6639  103.149   10.103  199.901   8.9465  195.279   9.5743 4.621353 13.10371 
1 1 1  -21    4   27 o   65.264   13.443   8.2420   5.9715  -1.8517   7.8303   22.272   9.2316   41.698   18.250   88.830   19.744 -47.13176 26.88655 
1 1 1  -21    4   28 o  334.769   6.1028  302.668   11.008  297.628   14.954  308.629   16.263  331.743   8.3422  337.795   8.9098 -6.052612 12.20562 
1 1 1  -21    4   29 o  557.311   7.5300  839.799   22.657  823.979   31.283  857.252   32.859  551.809   10.491  562.813   10.804 -11.00421 15.05991 
1 1 1  -21    4   30 o  269.513   6.3896  196.268   9.2588  194.048   12.451  199.014   13.847  267.827   8.6035  271.198   9.4491 -3.370758 12.77915 
1 1 1  -21    4   31 o  662.141   8.5184  1187.65   30.478  1182.50   42.912  1192.90   43.295  660.696   12.020  663.587   12.074 -2.891357 17.03687 
1 1 1  -21    4   32 o  531.036   7.2420  762.584   20.766  742.453   28.711  784.668   30.072  523.705   10.146  538.368   10.337 -14.66321 14.48396 
1 1 1  -21    4   33 o  197.708   6.8908  105.503   7.3500   99.495   10.062  112.377   10.762  191.693   9.7138  203.722   9.7763 -12.02916 13.78165 
1 1 1  -21    4   34 o  302.785   5.8058  247.836   9.4928  256.526   13.734  239.886   13.136  307.859   8.2559  297.712   8.1652 10.14700 11.61162 
1 1 1  -21    4   35 o  691.217   10.819  1297.46   38.059  1293.97   46.549  1304.50   66.099  690.560   12.475  691.874   17.680 -1.314453 21.63770 
1 1 1  -21    4   38 o  477.260   6.7455  614.658   17.342  580.694   23.423  655.866   25.800  462.771   9.3667  491.748   9.7093 -28.97662 13.49091 
1 1 1  -21    4   39 o  349.285   5.8270  330.602   10.997  324.720   15.472  336.607   15.633  346.141   8.2721  352.428   8.2090 -6.287018 11.65397 
1 1 1  -21    4   40 o  254.090   5.9490  175.048   8.1659  174.206   11.404  175.934   11.698  253.473   8.3259  254.708   8.4996 -1.234711 11.89809 
1 1 1  -21    4   41 o  157.626   7.2159   67.653   6.1322   65.920   8.9103   69.212   8.4523  155.667   10.593  159.585   9.8016 -3.917786 14.43178 
1 1 1  -21    4   42 o   46.345   13.230   2.4816   5.1489   4.4797   7.5112   0.7104   7.0719   50.003   19.414   42.687   17.980 7.315498 26.46086 
1 1 1  -21    4   43 o  322.133   5.7445  281.680   9.9989  284.365   14.114  278.976   14.167  323.683   8.0696  320.582   8.1780 3.101593 11.48903 
1 1 1  -21    4   44 o   43.960   12.410  -0.5798   5.0923  -8.3866   7.0804   7.7849   7.3291   32.075   15.211   55.846   19.613 -23.77075 24.81989 
1 1 1  -21    4   45 o  252.229   5.7454  172.870   7.8289  177.043   11.215  168.904   10.934  255.195   8.1328  249.263   8.1176 5.931686 11.49080 
1 1 1  -21    4   46 f  114.823   8.8265   36.573   5.3960   29.749   7.6839   43.213   7.5793  103.962   13.678  125.684   11.160 -21.72224 17.65306 
1 1 1  -21    4   47 o  315.888   5.6833  271.534   9.7005  269.397   13.634  273.725   13.805  314.635   8.0189  317.142   8.0557 -2.506531 11.36651 
1 1 1  -21    4   48 o   57.434   13.285   8.6950   5.0535   3.7616   7.3584   13.099   6.9523   47.808   19.016   67.059   18.557 -19.25094 26.57016 
1 1 1  -21    4   49 o   57.836   13.795   8.9350   5.1798   6.6834   7.2979   11.221   7.3530   52.978   19.448   62.694   19.570 -9.716496 27.58979 
1 1 1  -21    4   50 o  259.243   5.6670  183.032   7.9306  193.263   11.519  173.812   10.935  266.118   8.0103  252.369   8.0185 13.74965 11.33406 
1 1 1  -21    4   51 o  111.715   9.3063   34.918   5.5817   30.552   7.9061   39.257   7.8813  104.499   14.001  118.930   12.264 -14.43120 18.61253 
1 1 1  -21    4   52 o  114.390   8.8033   36.403   5.4236   40.401   7.7834   32.629   7.5616  120.628   11.941  108.152   12.939 12.47550 17.60667 
1 1 1  -21    4   53 o   77.187   12.970   17.904   5.3754   14.327   7.5179   21.645   7.6888   68.925   19.377   85.449   17.246 -16.52412 25.94067 
1 1 1  -21    4   54 o  117.032   8.9920   38.592   5.6454   33.841   8.0532   43.182   7.9161  109.609   13.597  124.454   11.771 -14.84431 17.98409 
1 1 1  -21    4   55 o  190.535   6.3637  100.018   6.5396   91.796   9.0924  108.830   9.4126  182.332   9.2284  198.738   8.7648 -16.40674 12.72736 
1 1 1  -21    4   56 o   89.805   11.976   24.128   5.6462   27.522   7.8468   20.484   8.1306   97.926   14.829   81.683   18.809 16.24387 23.95161 
1 1 1  -21    4   57 o  309.232   5.9221  263.741   9.8930  255.413   13.910  272.266   14.073  304.227   8.4611  314.237   8.2881 -10.01001 11.84412 
1 1 1  -21    4   58 o   81.756   13.692   20.883   5.9560   21.710   8.5095   20.089   8.3392   83.425   19.265   80.087   19.461 3.338745 27.38404 
1 1 1  -21    4   59 o   45.331   13.708   1.8133   5.9758   0.8257   8.4963   2.7802   8.4066   44.135   19.168   46.527   19.601 -2.391975 27.41550 
1 1 1  -21    4   60 o   55.529   13.454   6.2509   5.8955   18.085   8.6103  -4.1942   8.0891   73.915   20.722   37.143   17.165 36.77213 26.90818 
1 1 1  -21    4   61 o   51.972   14.654   6.4643   6.1410   7.8243   9.4015   5.4523   8.1103   54.636   21.569   49.307   19.843 5.328312 29.30851 
1 1 1  -21    4   62 o  115.314   16.037   43.732   9.5492   49.730   14.782   39.437   12.510  121.482   23.367  109.145   21.971 12.33688 32.07399 
1 1 1  -21    4   64 o   43.600   14.744 -11.1717   9.7843 -19.8018   13.170  -0.5412   14.617   37.079   18.290   50.120   23.131 -13.04127 29.48840 
1 1 1  -21    4   65 o   57.975   15.716   12.461   7.0520   9.0066   10.291   15.518   9.6827   52.942   21.949   63.007   22.500 -10.06518 31.43235 
1 1 1  -21    5    1 o  412.580   11.215  460.360   25.003  460.360   25.003   0.0000   0.0000  412.580   11.215  ?   ?       ?      ? 
1 1 1  -21    5    2 o  1088.39   15.999  3225.09   89.238  3175.68  152.049  3251.05  110.218  1081.31   26.022  1095.46   18.619 -14.15942 31.99755 
1 1 1  -21    5    3 f  323.308   4.9269  282.555   8.6062  280.405   12.248  284.651   12.095  322.092   7.0373  324.524   6.8973 -2.431519 9.853739 
1 1 1  -21    5    4 o  437.382   5.9217  517.167   13.995  512.416   19.806  521.904   19.779  435.374   8.4186  439.389   8.3303 -4.014893 11.84336 
1 1 1  -21    5    5 o  469.416   6.2380  595.584   15.821  585.149   22.192  606.370   22.562  465.236   8.8274  473.597   8.8162 -8.361511 12.47591 
1 1 1  -21    5    6 o  505.094   8.1065  697.742   21.059  664.189   35.303  716.278   26.239  495.478   13.185  514.709   9.4342 -19.23126 16.21296 
1 1 1  -21    5    7 o  662.065   11.735  1185.93   41.952  1209.91   60.681  1163.96   58.065  668.456   16.799  655.675   16.388 12.78046 23.46907 
1 1 1  -21    5    8 o  169.968   6.8845   75.625   6.2196   96.667   9.8202   61.532   8.0371  189.083   9.6113  150.853   9.8595 38.22975 13.76905 
1 1 1  -21    5    9 o  203.405   4.6024  111.695   5.0532  114.432   7.3502  109.242   6.9586  205.764   6.6106  201.046   6.4053 4.718643 9.204768 
1 1 1  -21    5   10 o  716.742   8.8909  1388.74   34.417  1359.65   47.744  1420.20   49.657  708.944   12.463  724.541   12.683 -15.59650 17.78172 
1 1 1  -21    5   11 f  248.896   4.7110  167.438   6.3335  167.411   9.0858  167.463   8.8333  248.875   6.7561  248.916   6.5672 -0.4119873E-01 9.421926 
1 1 1  -21    5   12 o  228.464   6.5517  141.076   8.0884   0.0000   0.0000  141.076   8.0884  ?   ?   228.464   6.5517      ?      ? 
1 1 1  -21    5   13 o  733.346   9.0836  1454.47   35.982  1476.81   51.753  1433.57   50.062  738.784   12.964  727.908   12.728 10.87659 18.16723 
1 1 1  -21    5   14 o  281.944   4.9063  214.858   7.4748  213.309   10.538  216.426   10.604  280.921   6.9422  282.966   6.9350 -2.044922 9.812654 
1 1 1  -21    5   15 o  861.479   10.529  2007.81   48.991  1969.47   68.060  2049.03   70.576  852.963   14.766  869.994   15.013 -17.03094 21.05754 
1 1 1  -21    5   16 o  1008.33   12.195  2754.07   66.442  2768.85   94.566  2739.67   93.372  1010.99   17.310  1005.67   17.182 5.323120 24.38968 
1 1 1  -21    5   17 o  400.542   5.7676  433.263   12.476  420.789   17.279  446.848   18.031  394.527   8.1053  406.556   8.2077 -12.02975 11.53521 
1 1 1  -21    5   18 o  247.393   7.2172  165.439   9.6482   0.0000   0.0000  165.439   9.6482  ?   ?   247.393   7.2172      ?      ? 
1 1 1  -21    5   19 o  581.376   7.4885  911.746   23.482  876.296   32.041  952.876   34.513  569.211   10.417  593.541   10.761 -24.33032 14.97694 
1 1 1  -21    5   20 o  922.582   11.235  2305.52   56.008  2311.14   79.493  2299.98   78.926  923.693   15.926  921.471   15.851 2.222290 22.46974 
1 1 1  -21    5   21 o  210.133   5.4190  119.381   6.1530  119.738   8.6761  119.019   8.7275  210.450   7.6293  209.816   7.6977 0.6341400 10.83797 
1 1 1  -21    5   22 o  842.737   10.360  1922.96   47.166  1893.38   65.742  1954.33   67.707  836.077   14.552  849.398   14.751 -13.32050 20.72081 
1 1 1  -21    5   23 o  329.840   5.5417  294.180   9.8759  293.101   14.065  295.229   13.870  329.241   7.9058  330.439   7.7679 -1.197693 11.08338 
1 1 1  -21    5   24 o  483.224   6.6519  631.489   17.368  636.887   24.745  626.247   24.383  485.258   9.4370  481.190   9.3774 4.067352 13.30383 
1 1 1  -21    5   25 o  430.848   6.3095  501.289   14.678  522.394   21.258  482.059   20.292  439.500   8.9511  422.195   8.8946 17.30563 12.61891 
1 1 1  -21    5   26 o  836.298   10.339  1893.76   46.701  1858.31   64.816  1932.04   67.348  828.186   14.483  844.409   14.760 -16.22345 20.67897 
1 1 1  -21    5   27 o  563.403   10.764  858.991   32.771   0.0000   0.0000  858.991   32.771  ?   ?   563.403   10.764      ?      ? 
1 1 1  -21    5   28 o  607.286   11.332  998.192   37.186   0.0000   0.0000  998.192   37.186  ?   ?   607.286   11.332      ?      ? 
1 1 1  -21    5   29 o  427.614   6.5119  494.524   15.035  490.589   20.815  498.817   21.741  425.846   9.0456  429.382   9.3701 -3.536285 13.02383 
1 1 1  -21    5   30 o  382.010   6.1647  394.769   12.723  392.485   17.782  397.164   18.210  380.884   8.6399  383.137   8.7959 -2.253906 12.32942 
1 1 1  -21    5   31 o  623.902   8.1375  1054.04   27.432  1040.86   38.471  1067.67   39.126  619.938   11.484  627.865   11.532 -7.927368 16.27493 
1 1 1  -21    5   32 o  276.090   6.0251  205.805   8.9711  199.569   12.238  213.048   13.189  271.588   8.3393  280.592   8.6984 -9.004089 12.05015 
1 1 1  -21    5   33 o  355.160   5.9761  340.812   11.455  329.843   15.736  353.176   16.708  349.099   8.3420  361.220   8.5597 -12.12033 11.95227 
1 1 1  -21    5   34 o  466.711   6.6691  589.771   16.814  595.359   24.116  584.485   23.456  468.852   9.5187  464.570   9.3436 4.281128 13.33822 
1 1 1  -21    5   35 o  635.380   16.557  1099.32   56.848   0.0000   0.0000  1099.32   56.848  ?   ?   635.380   16.557      ?      ? 
1 1 1  -21    5   37 o  429.243   12.783  500.901   29.650   0.0000   0.0000  500.901   29.650  ?   ?   429.243   12.783      ?      ? 
1 1 1  -21    5   38 o  146.308   7.9107   58.273   6.2383   62.474   8.7693   53.969   8.8762  151.692   10.698  140.924   11.656 10.76770 15.82141 
1 1 1  -21    5   39 o  216.720   5.9457  126.798   6.9451  115.136   9.5105  140.122   10.166  206.076   8.5406  227.364   8.2744 -21.28783 11.89148 
1 1 1  -21    5   40 o  344.533   5.8429  321.797   10.875  316.516   15.176  327.373   15.592  341.635   8.2209  347.432   8.3052 -5.796814 11.68586 
1 1 1  -21    5   41 o  167.729   6.6929   76.244   6.0453   85.596   8.7779   67.807   8.3377  177.518   9.1509  157.940   9.7694 19.57767 13.38576 
1 1 1  -21    5   42 o  380.397   6.0465  392.806   12.428  394.115   17.685  391.528   17.469  381.015   8.5899  379.778   8.5121 1.236298 12.09309 
1 1 1  -21    5   43 o  315.483   5.7306  270.264   9.7652  260.456   13.773  280.178   13.847  309.703   8.2301  321.263   7.9765 -11.56064 11.46119 
1 1 1  -21    5   44 o  157.217   7.2139   67.456   6.0794   56.762   8.4531   78.913   8.7498  144.204   10.848  170.230   9.5120 -26.02574 14.42772 
1 1 1  -21    5   45 o  148.959   7.2824   60.560   5.8608   59.100   8.2658   62.036   8.3113  147.140   10.396  150.779   10.201 -3.638687 14.56486 
1 1 1  -21    5   46 o  229.932   5.8392  143.976   7.2471  140.425   10.414  147.311   10.092  227.135   8.4846  232.729   8.0246 -5.593582 11.67834 
1 1 1  -21    5   47 o  140.479   7.6460   53.966   5.7984   56.210   8.4328   51.954   7.9857  143.229   10.896  137.729   10.730 5.499435 15.29207 
1 1 1  -21    5   48 o  325.058   5.7396  287.930   10.078  277.330   14.120  298.937   14.388  318.935   8.1933  331.182   8.0400 -12.24649 11.47919 
1 1 1  -21    5   49 o  222.612   6.0408  135.364   7.2618  133.835   10.427  136.803   10.119  221.343   8.7179  223.882   8.3645 -2.538940 12.08167 
1 1 1  -21    5   50 o  289.640   5.7710  229.185   9.0307  232.768   12.725  225.549   12.818  291.958   8.0659  287.322   8.2559 4.635651 11.54202 
1 1 1  -21    5   51 o  159.716   7.1547   70.159   6.1680   74.940   8.8627   65.668   8.5895  165.040   9.9378  154.392   10.296 10.64769 14.30943 
1 1 1  -21    5   52 o  227.602   5.9211  141.773   7.2720  131.590   10.111  152.685   10.467  219.082   8.5407  236.123   8.2032 -17.04042 11.84211 
1 1 1  -21    5   53 o  127.750   8.5062   45.509   5.8634   45.618   8.5273   45.411   8.0753  127.788   12.349  127.711   11.702 0.7686615E-01 17.01247 
1 1 1  -21    5   54 o  258.749   5.7676  183.644   8.0613  188.034   11.592  179.532   11.218  261.722   8.1963  255.775   8.1167 5.946899 11.53523 
1 1 1  -21    5   55 f   65.580   13.095   11.945   5.4559   21.638   8.0260   3.6191   7.4390   84.549   18.113   46.611   18.918 37.93807 26.19057 
1 1 1  -21    5   56 o  140.726   8.2979   55.599   6.3047   58.890   9.0594   52.509   8.7795  144.833   11.576  136.619   11.892 8.214310 16.59590 
1 1 1  -21    5   57 o   37.043   11.954  -4.3753   5.4540  -8.7292   7.9165  -0.4416   7.5248   33.396   15.908   40.690   17.847 -7.294273 23.90793 
1 1 1  -21    5   58 o   79.526   13.712   20.057   5.8585   17.658   8.5870   22.145   8.0130   74.323   20.644   84.730   18.054 -10.40693 27.42462 
1 1 1  -21    5   59 o  110.043   10.248   35.450   6.0332   31.266   8.7406   39.257   8.3380  103.132   15.684  116.954   13.193 -13.82179 20.49533 
1 1 1  -21    5   60 o   63.181   15.102   12.947   6.1764   15.542   8.9170   10.554   8.5633   68.046   21.594   58.316   21.118 9.730110 30.20369 
1 1 1  -21    5   61 o   39.342   12.784  -4.4744   6.2443  -0.3793   9.2396  -7.9170   8.4718   43.738   19.453   34.946   16.592 8.792347 25.56752 
1 1 1  -21    5   62 o   63.452   17.059   7.3682   9.3676   26.396   14.137  -7.5270   12.508   83.356   27.256   43.548   20.520 39.80871 34.11723 
1 1 1  -21    5   64 o  103.761   15.919   42.263   10.210   67.703   14.112   14.320   14.790  144.588   18.062   62.933   26.220 81.65448 31.83859 
1 1 1  -21    6    1 f  459.415   12.383  570.946   30.742   0.0000   0.0000  570.946   30.742  ?   ?   459.415   12.383      ?      ? 
1 1 1  -21    6    2 o  793.189   11.928  1705.81   48.330  1710.26   59.400  1697.07   83.133  795.016   13.827  791.362   19.441 3.653503 23.85623 
1 1 1  -21    6    3 o  500.180   6.5691  676.325   17.754  666.621   24.962  686.258   25.256  496.549   9.3032  503.811   9.2770 -7.261658 13.13817 
1 1 1  -21    6    4 o  160.300   4.8257   69.701   4.1636   65.779   6.0520   73.225   5.7371  156.000   7.1793  164.600   6.4503 -8.599640 9.651365 
1 1 1  -21    6    5 o  554.528   7.1402  831.260   21.392  817.533   29.948  845.561   30.568  549.855   10.079  559.200   10.116 -9.344482 14.28041 
1 1 1  -21    6    6 o  388.277   7.9182  407.453   16.607  392.342   23.167  423.423   23.817  380.876   11.256  395.679   11.139 -14.80301 15.83635 
1 1 1  -21    6    7 o  823.327   14.310  1836.41   63.630  1870.49   91.848  1804.95   88.232  830.638   20.463  816.016   20.010 14.62152 28.62037 
1 1 1  -21    6    8 o  555.213   10.162  834.075   30.484  820.721   42.687  847.973   43.547  550.681   14.345  559.745   14.397 -9.064636 20.32403 
1 1 1  -21    6    9 o  672.573   8.4174  1223.64   30.592  1221.07   43.294  1226.21   43.233  671.864   11.925  673.281   11.883 -1.416992 16.83486 
1 1 1  -21    6   10 o  589.615   7.5234  940.042   23.968  927.932   33.640  952.528   34.158  585.760   10.628  593.471   10.651 -7.711060 15.04684 
1 1 1  -21    6   11 o  532.737   6.9429  767.075   19.981  751.149   27.871  783.915   28.661  527.053   9.7863  538.422   9.8510 -11.36975 13.88575 
1 1 1  -21    6   12 o  577.527   7.4149  901.577   23.133  883.996   32.238  920.240   33.215  571.729   10.435  583.326   10.537 -11.59711 14.82974 
1 1 1  -21    6   13 o  365.429   5.4609  360.909   10.782  353.708   15.129  368.340   15.370  361.726   7.7402  369.133   7.7056 -7.406525 10.92190 
1 1 1  -21    6   14 o  253.679   4.8926  173.926   6.7003  163.799   9.3980  184.394   9.5553  246.168   7.0651  261.190   6.7702 -15.02222 9.785225 
1 1 1  -21    6   15 o  687.859   8.6076  1279.97   31.993  1270.67   45.019  1289.45   45.474  685.337   12.156  690.381   12.190 -5.043579 17.21510 
1 1 1  -21    6   16 o  476.948   6.4387  615.068   16.594  614.736   23.572  615.395   23.363  476.819   9.1485  477.077   9.0627 -0.2585449 12.87736 
1 1 1  -21    6   17 o  460.468   6.2952  573.220   15.663  566.209   22.015  580.406   22.288  457.617   8.9029  463.319   8.9025 -5.701447 12.59033 
1 1 1  -21    6   18 o  691.383   8.6701  1292.13   32.370  1261.46   44.792  1325.67   46.832  682.812   12.140  699.954   12.382 -17.14203 17.34030 
1 1 1  -21    6   19 o  388.264   5.7538  407.574   12.072  408.213   17.083  406.936   17.061  388.569   8.1362  387.960   8.1380 0.6086426 11.50761 
1 1 1  -21    6   20 o  525.976   6.9698  748.076   19.807  736.901   27.735  759.707   28.296  521.969   9.8332  529.982   9.8803 -8.012878 13.93955 
1 1 1  -21    6   21 o  482.153   6.5788  627.982   17.128  609.118   23.681  648.677   24.804  474.572   9.2344  489.733   9.3728 -15.16086 13.15763 
1 1 1  -21    6   22 o  756.226   9.4180  1548.43   38.485  1552.89   54.651  1544.04   54.203  757.302   13.355  755.150   13.283 2.152161 18.83601 
1 1 1  -21    6   23 o  681.501   8.6525  1253.01   31.788  1201.43   43.186  1314.01   46.960  666.268   11.995  696.735   12.473 -30.46729 17.30492 
1 1 1  -21    6   24 o  313.359   5.6891  265.151   9.6265  278.080   13.899  253.231   13.345  320.692   8.0208  306.027   8.0702 14.66498 11.37811 
1 1 1  -21    6   25 o  650.209   8.3570  1143.44   29.344  1120.32   40.647  1168.62   42.408  643.361   11.692  657.058   11.944 -13.69678 16.71407 
1 1 1  -21    6   26 o  618.351   8.0556  1033.18   26.883  1002.44   36.911  1067.90   39.231  608.589   11.224  628.113   11.559 -19.52307 16.11129 
1 1 1  -21    6   27 o  474.890   6.7853  608.254   17.377  582.632   23.676  638.175   25.585  464.091   9.4408  485.689   9.7485 -21.59796 13.57060 
1 1 1  -21    6   28 o  423.331   6.4964  484.127   14.836  473.763   20.319  495.963   21.714  418.496   8.9851  428.166   9.3852 -9.669464 12.99284 
1 1 1  -21    6   29 o  407.060   6.3363  447.740   13.922  436.914   19.154  459.865   20.270  401.859   8.8206  412.261   9.0992 -10.40198 12.67270 
1 1 1  -21    6   30 o  781.320   9.7874  1654.58   41.313  1632.74   57.688  1677.57   59.192  776.046   13.757  786.595   13.926 -10.54852 19.57486 
1 1 1  -21    6   31 o  943.715   11.583  2418.37   59.065  2396.41   82.883  2441.02   84.193  939.379   16.328  948.051   16.435 -8.671814 23.16691 
1 1 1  -21    6   32 o  714.231   9.0531  1383.41   34.938  1368.68   49.099  1398.52   49.727  710.383   12.791  718.078   12.815 -7.695007 18.10623 
1 1 1  -21    6   33 o  207.197   6.6570  116.285   7.4505  117.222   10.419  115.304   10.658  208.059   9.2672  206.335   9.5594 1.724365 13.31403 
1 1 1  -21    6   34 o  628.058   9.9898  1074.20   32.180  1079.82   39.754  1063.51   54.807  630.999   11.659  625.117   16.225 5.882568 19.97952 
1 1 1  -21    6   37 o  184.467   12.948   92.568   12.907   0.0000   0.0000   92.568   12.907  ?   ?   184.467   12.948      ?      ? 
1 1 1  -21    6   38 o  179.912   6.6977   87.815   6.5105   88.311   9.1446   87.306   9.2712  180.434   9.3790  179.390   9.5642 1.043716 13.39549 
1 1 1  -21    6   39 o  140.194   8.0061   53.368   6.0493   58.961   8.7313   48.204   8.3890  147.276   10.971  133.112   11.663 14.16405 16.01217 
1 1 1  -21    6   40 o  254.534   5.8638  175.989   8.0509  164.164   11.396  187.772   11.375  245.951   8.5747  263.117   8.0008 -17.16617 11.72764 
1 1 1  -21    6   41 o   72.273   13.808   14.962   5.5605   17.192   7.7832   12.637   7.9467   77.391   18.798   67.155   20.231 10.23589 27.61620 
1 1 1  -21    6   42 o  311.139   5.7027  262.373   9.5780  270.129   13.932  255.421   13.189  315.475   8.1724  306.803   7.9557 8.672058 11.40534 
1 1 1  -21    6   43 o  247.988   5.8506  167.209   7.8336  161.574   11.170  172.664   10.989  243.839   8.4774  252.137   8.0655 -8.298065 11.70117 
1 1 1  -21    6   44 o  219.684   5.9685  131.365   7.0778  127.918   10.156  134.621   9.8690  216.840   8.6678  222.528   8.2073 -5.688263 11.93693 
1 1 1  -21    6   45 o  219.947   5.9529  131.879   7.0582  126.914   10.219  136.409   9.7607  215.917   8.7584  223.977   8.0647 -8.059357 11.90586 
1 1 1  -21    6   46 o  189.739   6.3767   98.224   6.5236  106.171   9.2604   90.395   9.1915  197.426   8.6804  182.051   9.3433 15.37436 12.75332 
1 1 1  -21    6   47 o  147.177   7.5645   59.768   5.9024   45.916   8.2183   74.525   8.4826  129.223   11.769  165.131   9.5063 -35.90720 15.12905 
1 1 1  -21    6   48 o  102.732   10.354   29.769   5.4488   39.127   7.9728   21.568   7.4639  119.072   12.391   86.393   16.591 32.67944 20.70782 
1 1 1  -21    6   49 o  126.112   8.3676   43.597   5.6793   49.407   8.3882   38.680   7.7171  133.872   11.596  118.352   12.067 15.51994 16.73510 
1 1 1  -21    6   50 o  178.565   6.3642   87.188   6.1341   91.597   8.9293   83.248   8.4413  182.820   9.0387  174.310   8.9619 8.510208 12.72841 
1 1 1  -21    6   51 o  148.260   7.3518   60.521   5.8858   63.534   8.4933   57.738   8.1640  151.818   10.353  144.703   10.441 7.114746 14.70362 
1 1 1  -21    6   52 o  154.381   7.2579   65.747   6.0169   56.331   8.3196   76.074   8.7122  142.627   10.795  166.135   9.7047 -23.50810 14.51573 
1 1 1  -21    6   53 o  186.544   6.6324   95.965   6.6642   94.774   9.7881   96.995   9.0988  185.308   9.7750  187.780   8.9670 -2.471924 13.26486 
1 1 1  -21    6   54 o   46.871   13.219   2.8943   5.2403   7.8679   7.7972  -1.2029   7.0770   54.901   20.110   38.840   17.161 16.06143 26.43712 
1 1 1  -21    6   55 o  118.272   9.2719   39.151   5.8911   45.351   8.8314   34.180   7.9074  126.705   12.899  109.839   13.323 16.86613 18.54382 
1 1 1  -21    6   56 o   58.278   14.247   9.5538   5.5883   13.108   8.0503   6.2486   7.7636   65.194   20.497   51.362   19.794 13.83213 28.49460 
1 1 1  -21    6   57 o   58.496   13.073   8.2974   5.7730  -3.6097   8.4656   18.648   7.8929   39.434   17.976   77.559   18.986 -38.12474 26.14579 
1 1 1  -21    6   58 o  126.686   9.2865   46.087   6.2950   45.029   9.5109   46.912   8.3976  124.840   14.099  128.532   12.091 -3.691772 18.57308 
1 1 1  -21    6   59 o   96.059   12.093   28.444   6.0333   23.426   8.7813   32.930   8.3035   85.859   19.386  106.258   14.461 -20.39873 24.18571 
1 1 1  -21    6   60 o   51.243   20.142   6.7333   8.1652   0.0000   0.0000   6.7333   8.1652  ?   ?    51.243   20.142      ?      ? 
1 1 1  -21    6   61 o  190.804   15.883  108.468   16.376  108.468   16.376   0.0000   0.0000  190.804   15.883  ?   ?       ?      ? 
1 1 1  -21    6   62 o  154.278   12.428   73.558   10.225   91.847   15.627   59.865   13.522  171.609   16.852  136.947   18.273 34.66264 24.85698 
1 1 1  -21    6   63 o  102.780   27.105   42.590   15.270   42.590   15.270   0.0000   0.0000  102.780   27.105  ?   ?       ?      ? 
1 1 1  -21    6   64 o   52.145   16.519   3.4618   9.8342  -4.5968   13.476   12.642   14.383   44.675   21.127   59.615   25.399 -14.94074 33.03741 
1 1 1  -21    7    1 o  153.737   8.2129   70.962   5.4317   52.365   11.231   76.641   6.2058  139.085   14.943  168.389   6.8202 -29.30415 16.42585 
1 1 1  -21    7    2 o  221.940   10.034  133.198   12.034   0.0000   0.0000  133.198   12.034  ?   ?   221.940   10.034      ?      ? 
1 1 1  -21    7    3 o  227.048   5.8883  138.656   6.9125  136.968   8.5800  141.779   11.669  225.107   7.0535  228.989   9.4305 -3.881424 11.77656 
1 1 1  -21    7    4 o  435.891   5.9992  513.693   14.128  512.053   20.159  515.276   19.806  435.205   8.5719  436.578   8.3955 -1.372925 11.99846 
1 1 1  -21    7    5 o  212.867   6.2060  118.140   6.2694  131.667   12.590  113.680   7.2294  220.650   10.559  205.085   6.5235 15.56470 12.41202 
1 1 1  -21    7    6 o  413.834   8.3600  462.876   18.664  469.820   27.270  456.757   25.600  416.739   12.110  410.929   11.529 5.810333 16.71999 
1 1 1  -21    7    7 f  385.480   8.0008  400.536   16.637  375.676   22.761  429.054   24.378  372.682   11.302  398.279   11.327 -25.59647 16.00160 
1 1 1  -21    7    8 o  1068.53   12.895  3087.49   74.334  2989.72  101.717  3199.57  108.900  1050.46   17.919  1086.60   18.547 -36.13440 25.78934 
1 1 1  -21    7    9 o  278.124   4.9434  208.995   7.4235  197.613   10.387  220.876   10.613  270.385   7.1095  285.862   6.8706 -15.47632 9.886812 
1 1 1  -21    7   10 o  713.269   8.8771  1375.50   34.199  1346.35   47.493  1406.90   49.286  705.431   12.459  721.106   12.648 -15.67499 17.75420 
1 1 1  -21    7   11 f  221.068   6.7494  132.095   8.0627   0.0000   0.0000  132.095   8.0627  ?   ?   221.068   6.7494      ?      ? 
1 1 1  -21    7   12 o  413.412   5.8592  461.845   13.086  450.463   18.291  473.781   18.730  408.196   8.2924  418.628   8.2799 -10.43213 11.71837 
1 1 1  -21    7   13 o  1239.93   14.878  4168.92   99.661  4115.83  139.196  4224.76  142.753  1231.86   20.911  1248.00   21.168 -16.13562 29.75522 
1 1 1  -21    7   14 o  457.409   6.2732  565.686   15.505  560.741   21.917  570.641   21.938  455.406   8.9062  459.411   8.8370 -4.005219 12.54646 
1 1 1  -21    7   15 o  767.804   9.5011  1595.10   39.415  1576.92   55.229  1613.96   56.268  763.351   13.389  772.256   13.484 -8.904297 19.00214 
1 1 1  -21    7   16 o  635.269   8.0667  1091.69   27.691  1086.36   39.116  1097.05   39.206  633.713   11.423  636.825   11.393 -3.112305 16.13349 
1 1 1  -21    7   17 o  312.532   5.2901  264.067   8.9281  263.593   12.856  264.508   12.408  312.258   7.6191  312.806   7.3409 -0.5476379 10.58015 
1 1 1  -21    7   18 o  379.602   5.7110  389.346   11.711  376.860   16.339  402.536   16.794  373.346   8.0987  385.857   8.0543 -12.51035 11.42191 
1 1 1  -21    7   19 o  243.923   5.2872  160.548   6.9617  167.791   10.132  154.068   9.5820  249.125   7.5261  238.722   7.4280 10.40271 10.57441 
1 1 1  -21    7   20 o  511.326   6.8773  707.025   19.000  695.034   26.617  719.482   27.130  506.907   9.7171  515.744   9.7347 -8.836975 13.75450 
1 1 1  -21    7   21 o  290.471   5.4208  228.134   8.5079  227.339   12.087  228.914   11.977  289.968   7.7142  290.974   7.6177 -1.005341 10.84153 
1 1 1  -21    7   22 o  288.721   5.6441  225.311   8.8035  218.520   12.329  232.375   12.575  284.283   8.0257  293.159   7.9381 -8.876190 11.28826 
1 1 1  -21    7   23 o  229.787   6.0045  142.857   7.4499  136.309   10.532  149.414   10.539  224.510   8.6814  235.064   8.2974 -10.55420 12.00893 
1 1 1  -21    7   24 o  406.268   6.1893  446.395   13.588  445.945   19.220  446.844   19.212  406.064   8.7592  406.473   8.7468 -0.4093628 12.37859 
1 1 1  -21    7   25 o  372.566   6.0379  375.045   12.150  363.261   16.868  387.748   17.514  366.492   8.5176  378.641   8.5600 -12.14880 12.07571 
1 1 1  -21    7   26 o  425.231   9.2502  489.121   21.255   0.0000   0.0000  489.121   21.255  ?   ?   425.231   9.2502      ?      ? 
1 1 1  -21    7   27 o  356.665   6.0986  343.005   11.735  324.350   16.059  364.379   17.190  346.293   8.5821  367.036   8.6671 -20.74268 12.19715 
1 1 1  -21    7   28 o  799.023   9.9694  1730.60   43.039  1745.24   61.449  1716.50   60.300  802.325   14.173  795.721   14.024 6.604126 19.93877 
1 1 1  -21    7   29 o  216.902   6.8523  127.427   7.9950  128.389   10.826  126.272   11.857  217.822   9.1981  215.982   10.159 1.839706 13.70454 
1 1 1  -21    7   30 o  134.913   8.8758   50.063   6.3363   38.617   8.9968   61.328   8.9253  119.335   13.952  150.491   10.975 -31.15637 17.75155 
1 1 1  -21    7   31 o  159.151   7.8446   67.854   6.6958   57.457   8.9944   80.779   10.028  145.616   11.431  172.687   10.747 -27.07051 15.68930 
1 1 1  -21    7   32 o  579.410   7.6810  909.539   24.040  919.687   34.531  899.994   33.489  582.527   10.970  576.292   10.754 6.235596 15.36192 
1 1 1  -21    7   33 o  624.594   9.9875  1054.72   31.686  1045.10   38.619  1074.55   55.428  620.821   11.512  628.367   16.324 -7.545410 19.97493 
1 1 1  -21    7   34 o  627.114   16.357  1070.95   55.431   0.0000   0.0000  1070.95   55.431  ?   ?   627.114   16.357      ?      ? 
1 1 1  -21    7   36 o  211.312   12.428  121.374   14.191   0.0000   0.0000  121.374   14.191  ?   ?   211.312   12.428      ?      ? 
1 1 1  -21    7   37 o  369.309   5.9904  369.622   11.952  358.813   16.820  380.647   16.986  363.844   8.5549  374.774   8.3877 -10.92969 11.98082 
1 1 1  -21    7   38 o  145.618   7.7383   57.473   6.0784   60.073   8.9243   55.223   8.3016  148.669   11.109  142.566   10.776 6.103607 15.47666 
1 1 1  -21    7   39 o  109.052   10.045   32.532   5.8632   38.565   8.4528   26.937   8.1397  118.895   13.157   99.208   15.183 19.68715 20.09074 
1 1 1  -21    7   40 o  204.413   6.2285  113.415   6.8780  117.248   9.8195  109.723   9.6369  207.809   8.7446  201.016   8.8720 6.792969 12.45708 
1 1 1  -21    7   41 o  162.385   7.1094   71.579   6.2293   74.166   9.1103   69.307   8.5367  165.119   10.211  159.651   9.8953 5.467606 14.21872 
1 1 1  -21    7   42 o  547.598   7.3982  816.446   21.880  827.979   31.540  805.746   30.379  551.270   10.588  543.925   10.336 7.345337 14.79632 
1 1 1  -21    7   43 o  211.364   6.1374  121.067   6.9973  129.815   10.260  113.460   9.5673  218.475   8.6910  204.253   8.6683 14.22200 12.27486 
1 1 1  -21    7   44 o  193.792   6.3776  102.168   6.6717   95.852   9.2986  108.870   9.5780  187.599   9.1728  199.986   8.8631 -12.38649 12.75519 
1 1 1  -21    7   45 o  161.360   7.0546   70.928   6.1372   77.951   8.8779   64.500   8.4935  169.037   9.7194  153.683   10.228 15.35410 14.10927 
1 1 1  -21    7   46 o  261.712   5.6727  186.043   8.0072  192.949   11.765  180.083   10.929  266.188   8.1791  257.236   7.8627 8.951843 11.34542 
1 1 1  -21    7   47 o   66.508   12.947   12.585   5.3281   4.4581   7.6741   20.150   7.4034   49.651   19.523   83.365   17.010 -33.71453 25.89439 
1 1 1  -21    7   48 o  149.797   7.2031   61.225   5.8024   70.308   8.5118   53.340   7.9306  160.199   9.8328  139.395   10.529 20.80426 14.40613 
1 1 1  -21    7   49 o  172.397   6.7851   81.240   6.3108   86.445   9.2406   76.690   8.6393  177.546   9.6316  167.248   9.5594 10.29875 13.57020 
1 1 1  -21    7   50 o   81.574   12.500   19.587   5.5454   27.383   7.9349   12.145   7.7530   98.684   14.880   64.464   20.090 34.21987 25.00089 
1 1 1  -21    7   51 o   62.674   13.349   11.149   5.2427   5.3960   7.4302   16.852   7.3984   50.243   19.364   75.105   18.379 -24.86222 26.69748 
1 1 1  -21    7   52 o  218.509   6.0706  131.345   7.1512  126.741   10.355  135.544   9.8883  214.700   8.9250  222.319   8.2311 -7.618835 12.14114 
1 1 1  -21    7   53 o  115.038   9.3591   37.130   5.8034   40.925   8.4055   33.672   8.0225  120.762   12.881  109.314   13.582 11.44882 18.71828 
1 1 1  -21    7   54 o  169.946   7.1290   80.391   6.5114   71.286   9.2347   89.394   9.1826  160.074   10.676  179.818   9.4503 -19.74377 14.25793 
1 1 1  -21    7   55 f  179.427   7.0193   89.314   6.7744   90.597   10.103   88.266   9.1318  180.375   10.365  178.479   9.4685 1.896576 14.03866 
1 1 1  -21    7   56 o  107.402   9.9883   33.103   5.7689   32.002   8.4873   34.048   7.8652  105.398   14.902  109.407   13.304 -4.009811 19.97666 
1 1 1  -21    7   57 o   49.185   13.661   4.5039   5.6458  -0.9130   8.2975   9.1738   7.7042   41.814   18.524   56.556   20.083 -14.74131 27.32153 
1 1 1  -21    7   58 o   48.527   14.096   3.9025   5.9768   6.4424   8.6719   1.6043   8.2489   52.441   20.711   44.613   19.127 7.827621 28.19213 
1 1 1  -21    7   59 o   74.168   12.608   16.877   6.1890   2.2249   8.7698   31.415   8.7355   45.796   19.680  102.540   15.765 -56.74459 25.21598 
1 1 1  -21    7   60 o   49.794   14.278   4.7349   6.2689  -0.4364   9.2387   9.1476   8.5342   43.584   19.414   56.004   20.942 -12.42007 28.55624 
1 1 1  -21    7   61 o  138.350   13.032   57.650   9.5553   75.315   14.636   44.527   12.615  157.518   17.195  119.182   19.588 38.33628 26.06411 
1 1 1  -21    7   62 o   43.174   20.833 -10.2050   14.592 -10.2050   14.592   0.0000   0.0000   43.174   20.833  ?   ?       ?      ? 
1 1 1  -21    7   63 o  214.102   10.740  139.566   12.359  160.113   18.101  121.622   16.916  229.782   14.578  198.423   15.777 31.35931 21.48062 
1 1 1  -21    7   64 o   67.033   18.322   19.294   9.8866   27.230   13.954   11.295   14.010   76.957   27.060   57.110   24.708 19.84693 36.64349 
1 1 1  -21    8    1 o  103.482   10.081   26.132   4.6045   34.099   10.621   24.288   5.1096  112.192   17.520   94.772   9.9775 17.41941 20.16178 
1 1 1  -21    8    2 o  957.933   11.672  2481.71   60.338  2549.39   88.066  2421.83   82.835  970.185   16.798  945.682   16.210 24.50226 23.34398 
1 1 1  -21    8    3 o  410.309   7.2623  453.381   15.203  449.567   18.609  461.036   26.362  407.786   8.4452  412.832   11.817 -5.045746 14.52467 
1 1 1  -21    8    4 o  757.315   9.3916  1550.74   38.413  1515.93   53.287  1588.41   55.424  748.481   13.175  766.148   13.387 -17.66760 18.78321 
1 1 1  -21    8    5 o  196.845   7.9859  104.723   8.4170  105.428   12.818  104.189   11.161  197.413   12.015  196.278   10.523 1.134338 15.97186 
1 1 1  -21    8    6 o  865.432   15.050  2031.56   70.379  2018.47   99.216  2044.82   99.848  862.625   21.285  868.238   21.282 -5.613037 30.09934 
1 1 1  -21    8    7 o  546.171   8.7622  808.139   24.527  810.503   30.250  803.604   41.904  547.456   10.226  544.887   14.232 2.568970 17.52431 
1 1 1  -21    8    8 o  733.994   9.1340  1457.75   36.228  1452.57   51.253  1462.91   51.214  732.690   12.945  735.298   12.890 -2.608093 18.26801 
1 1 1  -21    8    9 o  449.697   6.1978  546.724   15.055  547.789   21.597  545.718   20.997  450.118   8.8795  449.275   8.6490 0.8436279 12.39556 
1 1 1  -21    8   10 o  290.928   5.1023  228.683   8.0104  230.685   11.658  226.893   11.025  292.130   7.3851  289.725   7.0424 2.404297 10.20466 
1 1 1  -21    8   11 o  624.449   7.9469  1053.78   26.794  1077.17   38.828  1032.52   37.021  631.049   11.387  617.849   11.089 13.19958 15.89379 
1 1 1  -21    8   12 o  549.759   7.1896  816.364   21.344  791.329   29.523  843.777   30.893  540.943   10.100  558.575   10.235 -17.63202 14.37928 
1 1 1  -21    8   14 o  651.442   8.2568  1148.07   29.065  1144.81   41.142  1151.32   41.066  650.517   11.704  652.367   11.649 -1.849915 16.51356 
1 1 1  -21    8   15 o  948.036   11.548  2434.67   59.160  2437.28   83.947  2432.10   83.385  948.533   16.378  947.539   16.286 0.9946289 23.09681 
1 1 1  -21    8   16 o  574.891   7.4990  893.835   23.294  880.556   32.690  907.531   33.200  570.555   10.603  579.228   10.607 -8.673035 14.99805 
1 1 1  -21    8   17 o  327.378   5.4623  289.819   9.6605  282.350   13.670  297.268   13.654  323.161   7.8284  331.594   7.6200 -8.433105 10.92465 
1 1 1  -21    8   18 o  354.722   5.6439  340.236   10.815  329.625   15.247  350.981   15.343  349.152   8.0814  360.292   7.8808 -11.13983 11.28785 
1 1 1  -21    8   19 o  829.607   10.234  1864.00   45.872  1844.14   64.365  1884.50   65.394  825.122   14.436  834.091   14.509 -8.969421 20.46705 
1 1 1  -21    8   20 o  446.916   6.3481  539.833   15.319  548.302   22.176  532.105   21.185  450.260   9.1145  443.573   8.8385 6.687134 12.69621 
1 1 1  -21    8   21 o  209.996   5.9363  117.952   6.6980  132.382   10.144  106.796   8.9188  221.259   8.4841  198.733   8.3052 22.52531 11.87251 
1 1 1  -21    8   22 o  249.311   5.7443  168.085   7.7381  166.564   10.980  169.585   10.907  248.189   8.1874  250.433   8.0596 -2.243439 11.48869 
1 1 1  -21    8   23 o  552.996   7.3986  826.347   22.092  799.768   30.527  855.574   32.011  543.677   10.391  562.315   10.535 -18.63745 14.79718 
1 1 1  -21    8   24 o  180.064   6.9921   87.561   6.7971   92.309   9.8508   83.247   9.3909  184.715   9.8692  175.413   9.9074 9.301788 13.98417 
1 1 1  -21    8   25 o  147.318   8.4604   57.846   6.5304   40.313   8.6860   80.642   9.9043  122.005   13.175  172.630   10.617 -50.62452 16.92078 
1 1 1  -21    8   26 o  683.200   8.7458  1263.80   32.285  1249.90   45.327  1278.11   45.997  679.390   12.347  687.010   12.390 -7.619324 17.49161 
1 1 1  -21    8   27 o  430.952   6.4961  502.499   15.127  504.272   21.498  500.761   21.290  431.703   9.2154  430.202   9.1581 1.501434 12.99213 
1 1 1  -21    8   28 o  509.936   7.1069  703.792   19.582  698.124   27.505  709.619   27.886  507.857   10.023  512.016   10.079 -4.158752 14.21388 
1 1 1  -21    8   29 o  640.267   8.2921  1109.78   28.679  1085.69   39.927  1135.46   41.222  633.101   11.671  647.433   11.783 -14.33246 16.58430 
1 1 1  -21    8   30 o  437.637   6.4682  518.430   15.295  510.766   21.596  526.143   21.666  434.387   9.2003  440.887   9.0941 -6.499786 12.93636 
1 1 1  -21    8   31 o  612.220   8.0208  1015.60   26.523  1029.08   38.181  1003.04   36.871  616.120   11.468  608.321   11.217 7.799133 16.04161 
1 1 1  -21    8   32 o  477.615   6.7990  617.770   17.546  608.166   24.638  627.653   24.993  473.848   9.6224  481.382   9.6081 -7.533630 13.59802 
1 1 1  -21    8   33 o  414.939   9.0138  466.818   20.190  479.279   29.355  455.631   27.814  420.159   12.930  409.718   12.563 10.44153 18.02768 
1 1 1  -21    8   35 o  256.966   12.053  179.392   16.736   0.0000   0.0000  179.392   16.736  ?   ?   256.966   12.053      ?      ? 
1 1 1  -21    8   36 o  252.693   6.1474  173.087   8.3933  173.968   11.808  172.188   11.933  253.349   8.6248  252.037   8.7622 1.312515 12.29489 
1 1 1  -21    8   37 o  450.738   6.5603  551.150   15.978  544.559   22.592  557.745   22.600  448.032   9.3317  453.445   9.2234 -5.412964 13.12063 
1 1 1  -21    8   38 o  101.933   11.039   28.504   5.7120   40.890   8.6419   18.894   7.6118  122.463   13.059   81.404   17.800 41.05946 22.07703 
1 1 1  -21    8   39 o  401.291   6.1846  437.213   13.408  435.021   19.136  439.327   18.792  400.281   8.8472  402.302   8.6444 -2.020599 12.36928 
1 1 1  -21    8   40 o  342.317   5.8679  317.046   10.823  330.149   16.039  306.090   14.666  348.753   8.5107  335.881   8.0807 12.87115 11.73586 
1 1 1  -21    8   41 o   56.471   14.332   7.3050   5.4662   9.4913   8.7509   5.9061   6.9997   61.372   21.438   51.569   19.028 9.803146 28.66445 
1 1 1  -21    8   42 o  262.884   5.7995  187.730   8.2369  189.454   11.779  186.081   11.523  264.055   8.2554  261.712   8.1477 2.342438 11.59898 
1 1 1  -21    8   43 o  220.423   6.0969  132.112   7.2567  133.971   10.495  130.410   10.045  221.885   8.7533  218.962   8.4894 2.923401 12.19387 
1 1 1  -21    8   44 o  235.729   5.9174  151.035   7.5127  153.001   11.116  149.383   10.193  237.078   8.6773  234.380   8.0479 2.697998 11.83489 
1 1 1  -21    8   45 o  244.446   5.9518  162.760   7.8585  160.472   11.225  164.960   11.005  242.728   8.5583  246.163   8.2735 -3.435364 11.90361 
1 1 1  -21    8   46 f  227.214   6.0219  140.829   7.3889  139.724   10.615  141.869   10.291  226.308   8.6805  228.121   8.3487 -1.813110 12.04371 
1 1 1  -21    8   47 o   66.312   14.001   12.713   5.6306   7.8406   8.2461   16.968   7.7069   56.685   20.693   75.939   18.865 -19.25404 28.00218 
1 1 1  -21    8   48 o  116.029   9.3098   37.097   5.7371   47.258   8.4858   28.543   7.7862  130.826   12.004  101.232   14.234 29.59404 18.61955 
1 1 1  -21    8   49 o  155.230   7.4324   65.785   6.2053   74.860   9.2597   58.387   8.3604  164.896   10.392  145.565   10.629 19.33092 14.86485 
1 1 1  -21    8   50 o  215.997   6.1441  128.145   7.1474  116.543   10.126  139.664   10.090  206.087   9.0929  225.907   8.2656 -19.82019 12.28820 
1 1 1  -21    8   51 o  115.372   9.5263   37.279   5.9314   39.955   8.5918   34.842   8.1986  119.369   13.320  111.376   13.623 7.992889 19.05253 
1 1 1  -21    8   52 o   59.060   13.464   8.7228   5.4044   16.612   7.9612   1.9804   7.3600   73.939   19.606   44.181   18.459 29.75822 26.92864 
1 1 1  -21    8   53 o   86.477   12.995   22.423   5.8537   23.938   8.8406   21.241   7.8113   88.843   18.991   84.112   17.744 4.730606 25.99053 
1 1 1  -21    8   54 o  298.005   5.9552  243.911   9.5629  253.014   14.158  236.274   12.968  302.951   8.6485  293.059   8.1891 9.891418 11.91045 
1 1 1  -21    8   55 o  122.542   9.2929   41.955   6.0997   50.212   9.2915   35.702   8.0861  133.064   12.922  112.021   13.358 21.04279 18.58580 
1 1 1  -21    8   56 o   60.584   14.014   10.432   5.8245   3.2293   8.5040   16.796   7.9939   47.828   19.900   73.339   19.737 -25.51158 28.02793 
1 1 1  -21    8   57 o  158.795   7.6534   70.424   6.5441   78.762   9.6866   63.423   8.8761  167.452   10.705  150.138   10.941 17.31448 15.30677 
1 1 1  -21    8   58 o   45.604   13.691   2.2707   5.7759   3.5216   9.0946   1.4250   7.4775   48.632   20.432   42.575   18.231 6.056736 27.38298 
1 1 1  -21    8   59 o   95.116   12.569   29.289   6.1295   21.904   9.2433   35.085   8.1890   80.905   20.970  109.327   13.862 -28.42165 25.13750 
1 1 1  -21    8   60 o  137.119   14.676   56.783   10.070   88.671   16.124   36.396   12.893  170.776   17.473  103.462   23.585 67.31468 29.35235 
1 1 1  -21    8   61 o   52.218   16.296   2.2867   9.0753   7.9482   13.376  -2.5428   12.354   57.775   24.551   46.662   21.437 11.11299 32.59282 
1 1 1  -21    8   62 o  107.382   28.105   48.694   16.498   48.694   16.498   0.0000   0.0000  107.382   28.105  ?   ?       ?      ? 
1 1 1  -21    8   63 o   58.270   17.932   9.9598   10.435   12.331   16.127   8.2523   13.685   60.792   26.405   55.748   24.269 5.044304 35.86408 
1 1 1  -21    9    1 o  734.026   9.1707  1457.81   36.374  1444.19   51.230  1471.67   51.654  730.567   12.977  737.485   12.962 -6.918091 18.34147 
1 1 1  -21    9    2 o  639.399   10.094  1102.71   32.439  1117.12   57.838  1096.10   39.183  642.225   16.666  636.572   11.391 5.653198 20.18700 
1 1 1  -21    9    3 o  397.665   5.8826  427.683   12.635  420.496   18.040  434.605   17.703  394.379   8.4651  400.950   8.1709 -6.570618 11.76526 
1 1 1  -21    9    4 f  648.307   11.762  1138.31   41.204  1125.45   58.065  1151.35   58.479  644.615   16.670  651.998   16.599 -7.382141 23.52416 
1 1 1  -21    9    5 o  311.321   7.8538  262.347   13.189  258.559   19.150  265.766   18.191  309.170   11.463  313.472   10.739 -4.301666 15.70758 
1 1 1  -21    9    6 o  738.630   11.326  1470.82   42.413  1458.54   51.602  1496.40   74.465  734.184   13.007  743.075   18.545 -8.891174 22.65164 
1 1 1  -21    9    7 o  553.230   7.2528  827.740   21.681  822.145   30.733  833.282   30.590  551.366   10.315  555.094   10.198 -3.727844 14.50550 
1 1 1  -21    9    8 o  286.792   5.2239  222.324   8.0833  222.485   11.762  222.181   11.127  286.886   7.5876  286.698   7.1823 0.1885376 10.44780 
1 1 1  -21    9    9 o  455.093   6.2950  559.993   15.479  549.440   21.857  570.610   21.924  450.789   8.9728  459.397   8.8317 -8.607513 12.59007 
1 1 1  -21    9   10 o  796.880   9.8566  1718.47   42.439  1698.43   59.511  1739.22   60.538  792.156   13.903  801.605   13.976 -9.449829 19.71313 
1 1 1  -21    9   11 o  568.563   7.4325  874.128   22.833  858.465   32.036  890.296   32.550  563.387   10.523  573.738   10.499 -10.35132 14.86495 
1 1 1  -21    9   12 o  1214.83   14.624  4003.85   96.000  4008.96  136.148  3998.80  135.384  1215.59   20.727  1214.07   20.636 1.520264 29.24847 
1 1 1  -21    9   13 o  215.099   7.4728  125.077   8.6857   0.0000   0.0000  125.077   8.6857  ?   ?   215.099   7.4728      ?      ? 
1 1 1  -21    9   14 o  189.208   5.8048   97.304   5.9012   90.415   8.6170  103.388   8.0982  182.859   8.7207  195.556   7.6636 -12.69716 11.60951 
1 1 1  -21    9   15 o  616.295   7.9426  1027.06   26.442  1004.13   36.834  1051.44   37.983  609.204   11.189  623.385   11.276 -14.18103 15.88521 
1 1 1  -21    9   16 o  675.841   8.5817  1235.91   31.331  1248.69   44.940  1223.82   43.705  679.229   12.244  672.452   12.028 6.776367 17.16337 
1 1 1  -21    9   17 o  1037.41   12.594  2917.77   70.583  2871.41   98.416  2966.88  101.283  1028.95   17.700  1045.87   17.921 -16.91638 25.18897 
1 1 1  -21    9   18 o  710.783   8.9631  1366.72   34.412  1334.87   47.847  1400.85   49.528  702.217   12.609  719.348   12.742 -17.13135 17.92619 
1 1 1  -21    9   19 o  692.814   8.7878  1298.95   32.895  1279.12   46.111  1319.50   46.943  687.431   12.413  698.196   12.442 -10.76489 17.57561 
1 1 1  -21    9   20 o  599.333   7.8512  970.931   25.401  993.008   36.921  951.091   35.000  605.781   11.279  592.885   10.925 12.89545 15.70245 
1 1 1  -21    9   21 o  1098.64   13.326  3275.87   79.107  3285.90  112.403  3266.03  111.352  1100.29   18.905  1096.98   18.785 3.299927 26.65120 
1 1 1  -21    9   22 o  546.369   7.3699  807.690   21.758  795.671   30.649  819.899   30.892  542.269   10.460  550.468   10.385 -8.199585 14.73982 
1 1 1  -21    9   23 o  1027.21   12.516  2863.11   69.471  2857.10   98.282  2869.12   98.211  1026.12   17.725  1028.29   17.675 -2.169312 25.03163 
1 1 1  -21    9   25 o  484.677   6.8563  634.854   17.938  651.653   26.083  619.775   24.710  490.743   9.8359  478.610   9.5545 12.13354 13.71251 
1 1 1  -21    9   26 o  396.477   6.3124  425.129   13.521  415.138   18.899  435.606   19.352  391.707   8.9288  401.248   8.9255 -9.540649 12.62483 
1 1 1  -21    9   27 o  337.289   6.0780  306.841   11.061  287.887   15.173  328.340   16.159  326.205   8.6076  348.372   8.5837 -22.16678 12.15605 
1 1 1  -21    9   28 o  262.870   6.1575  187.093   8.7345  175.278   12.321  199.031   12.384  254.510   8.9587  271.230   8.4499 -16.71948 12.31496 
1 1 1  -21    9   29 o  439.332   6.5545  522.520   15.559  513.990   21.996  531.063   22.012  435.736   9.3417  442.927   9.1968 -7.191345 13.10905 
1 1 1  -21    9   30 o  204.389   6.6385  113.440   7.3111  106.837   10.528  119.590   10.161  198.607   9.8101  210.170   8.9466 -11.56358 13.27706 
1 1 1  -21    9   31 o  268.973   6.2227  195.708   9.0363  184.399   12.596  207.700   12.971  260.965   8.9323  276.980   8.6662 -16.01547 12.44542 
1 1 1  -21    9   32 o  197.102   9.8491  105.856   10.451  101.284   15.245  109.910   14.356  193.020   14.617  201.185   13.205 -8.165390 19.69820 
1 1 1  -21    9   34 o  258.307   12.865  181.396   17.958   0.0000   0.0000  181.396   17.958  ?   ?   258.307   12.865      ?      ? 
1 1 1  -21    9   35 o  314.294   7.2544  262.547   11.706  251.128   14.317  285.586   20.335  304.388   8.7042  324.199   11.608 -19.81113 14.50870 
1 1 1  -21    9   36 o   41.139   12.843  -2.6772   5.6635  -5.3807   8.1186  -0.1144   7.9045   38.329   17.523   43.949   18.779 -5.619793 25.68507 
1 1 1  -21    9   37 o  248.036   5.9981  166.829   8.0372  161.612   11.303  172.165   11.431  244.104   8.5690  251.968   8.3954 -7.863342 11.99628 
1 1 1  -21    9   38 o  162.348   7.3268   71.636   6.3989   72.160   9.5249   71.204   8.6387  162.841   10.825  161.856   9.8771 0.9851532 14.65364 
1 1 1  -21    9   39 o   99.872   11.092   28.436   5.6896   23.180   8.4566   32.783   7.6905   90.181   17.984  109.563   12.990 -19.38210 22.18499 
1 1 1  -21    9   40 o  426.505   6.3780  493.758   14.692  474.411   20.436  514.453   21.137  417.858   9.0507  435.152   8.9889 -17.29346 12.75599 
1 1 1  -21    9   41 o  196.719   6.5981  105.470   6.9502  103.866   10.519  106.713   9.2590  195.293   9.9680  198.145   8.6475 -2.852386 13.19625 
1 1 1  -21    9   42 o   30.583   10.457 -11.5287   5.2292 -15.1652   8.2431  -9.0798   6.7645   30.747   15.023   30.419   14.549 0.3274097 20.91308 
1 1 1  -21    9   43 f  149.997   7.5906   61.877   6.1107   55.627   8.8380   67.602   8.4582  142.572   11.472  157.421   9.9432 -14.84837 15.18119 
1 1 1  -21    9   44 o  154.629   7.4762   64.778   6.2154   71.444   9.3819   59.564   8.2974  161.625   10.742  147.633   10.401 13.99202 14.95242 
1 1 1  -21    9   45 o   76.484   12.930   17.439   5.3279   13.172   7.9221   20.962   7.1994   67.554   20.165   85.414   16.191 -17.85976 25.86090 
1 1 1  -21    9   46 o   51.112   13.809   5.4556   5.2899   5.7629   7.9125   5.2073   7.1133   52.376   20.033   49.847   19.011 2.529072 27.61753 
1 1 1  -21    9   47 o   95.158   11.532   25.782   5.7983   24.327   8.1875   27.247   8.2127   91.602   17.172   98.715   15.396 -7.113235 23.06340 
1 1 1  -21    9   48 o  260.528   5.9300  184.676   8.3238  196.695   12.363  174.709   11.258  268.194   8.5307  252.863   8.2392 15.33121 11.85991 
1 1 1  -21    9   49 o  143.720   8.0548   57.528   6.2102   52.504   9.0623   61.977   8.5272  137.517   12.195  149.923   10.526 -12.40536 16.10956 
1 1 1  -21    9   50 o  142.571   7.8751   56.268   6.0470   56.597   8.9291   55.990   8.2185  142.817   11.570  142.324   10.686 0.4925385 15.75013 
1 1 1  -21    9   51 o  200.755   6.4307  109.407   6.9282  127.601   10.495   95.354   9.2236  215.380   9.0177  186.130   9.1705 29.25081 12.86146 
1 1 1  -21    9   52 o   66.236   14.334   12.811   5.5787   16.173   8.6777   10.443   7.2831   72.594   20.955   59.877   19.563 12.71718 28.66738 
1 1 1  -21    9   53 o  189.019   6.8717   98.392   6.9929  105.010   10.449   93.023   9.4109  194.641   9.9349  183.396   9.4963 11.24516 13.74343 
1 1 1  -21    9   54 o  281.650   6.1796  219.651   9.3672  210.441   13.691  227.758   12.844  275.765   9.1874  287.535   8.2668 -11.76999 12.35915 
1 1 1  -21    9   55 o   57.948   14.639   9.1375   6.1643   3.2695   9.3312   13.681   8.2112   49.459   20.734   66.437   20.671 -16.97746 29.27742 
1 1 1  -21    9   56 o   97.870   12.626   29.284   6.3736   26.831   9.8900   31.027   8.3355   92.240   20.385  103.500   14.904 -11.25979 25.25203 
1 1 1  -21    9   57 o  138.441   9.1569   53.019   6.7355   66.778   10.731   44.075   8.6521  152.738   13.002  124.143   12.898 28.59496 18.31388 
1 1 1  -21    9   58 o   98.406   13.347   29.517   6.8854   37.557   10.851   24.097   8.9089  110.406   18.188   86.406   19.539 24.00040 26.69364 
1 1 1  -21    9   59 f   60.852   15.370   9.5699   6.6176   19.425   10.687   3.4405   8.4279   74.907   23.625   46.797   19.666 28.10930 30.73911 
1 1 1  -21    9   60 o   59.490   17.127   8.1491   9.3731  -3.8018   15.308   15.318   11.855   51.124   23.622   67.856   24.806 -16.73214 34.25364 
1 1 1  -21    9   61 o   36.725   18.214 -21.7725   13.713 -21.7725   13.713   0.0000   0.0000   36.725   18.214  ?   ?       ?      ? 
1 1 1  -21    9   62 o  110.904   21.039   46.397   12.640   78.874   22.363   31.149   15.323  136.320   31.052   85.488   28.397 50.83288 42.07900 
1 1 1  -21    9   63 o  140.816   18.413   76.136   13.009   92.455   22.570   68.018   15.919  144.211   29.943  137.421   21.437 6.790115 36.82554 
1 1 1  -21   10    1 o  282.954   5.3182  216.534   8.1192  214.442   11.779  218.427   11.207  281.647   7.7396  284.260   7.2959 -2.613525 10.63633 
1 1 1  -21   10    2 o  978.859   11.933  2592.90   63.055  2654.41   91.616  2537.55   86.915  989.838   17.129  967.881   16.618 21.95642 23.86532 
1 1 1  -21   10    3 o  399.699   8.7403  431.033   18.850  402.928   25.914  462.612   27.469  385.899   12.427  413.500   12.294 -27.60086 17.48069 
1 1 1  -21   10    4 o  703.720   12.649  1340.87   48.057  1367.79   69.680  1316.44   66.367  710.421   18.151  697.019   17.620 13.40186 25.29720 
1 1 1  -21   10    5 o  567.672   9.1966  865.439   26.406  853.541   32.014  890.766   46.707  561.768   10.546  573.576   15.070 -11.80798 18.39326 
1 1 1  -21   10    6 o  634.752   8.1424  1089.18   27.917  1062.18   38.820  1118.11   40.176  626.612   11.465  642.891   11.565 -16.27905 16.28471 
1 1 1  -21   10    7 o  225.840   5.4379  138.072   6.6149  135.348   9.6993  140.441   9.0449  223.749   8.0221  227.932   7.3436 -4.182175 10.87579 
1 1 1  -21   10    8 o  271.613   5.2986  199.595   7.7646  196.253   11.246  202.639   10.733  269.434   7.7245  273.792   7.2549 -4.357452 10.59718 
1 1 1  -21   10    9 o  431.958   8.6243  504.504   20.130   0.0000   0.0000  504.504   20.130  ?   ?   431.958   8.6243      ?      ? 
1 1 1  -21   10   10 o  780.553   9.7087  1649.09   40.947  1630.60   57.467  1668.16   58.357  776.112   13.703  784.994   13.757 -8.882019 19.41740 
1 1 1  -21   10   11 o  311.655   5.4749  262.177   9.2007  268.725   13.523  256.533   12.555  315.267   7.9379  308.043   7.5423 7.224884 10.94971 
1 1 1  -21   10   12 o  571.864   7.5149  883.818   23.199  903.174   33.703  866.388   31.982  577.797   10.795  565.930   10.458 11.86670 15.02972 
1 1 1  -21   10   13 f  651.505   8.3481  1148.47   29.382  1157.13   42.107  1140.25   41.018  653.889   11.917  649.122   11.694 4.767151 16.69614 
1 1 1  -21   10   14 o  498.169   6.8278  671.273   18.376  671.191   26.278  671.352   25.705  498.133   9.7625  498.205   9.5483 -0.7205200E-01 13.65565 
1 1 1  -21   10   15 o  414.852   6.1793  465.567   13.847  458.950   19.767  471.943   19.403  411.951   8.8801  417.753   8.5954 -5.802765 12.35870 
1 1 1  -21   10   16 f  625.367   8.1018  1057.93   27.373  1034.83   38.296  1082.06   39.141  618.390   11.461  632.345   11.455 -13.95477 16.20365 
1 1 1  -21   10   17 o  715.626   9.0484  1386.37   34.987  1385.09   49.791  1387.62   49.174  715.290   12.882  715.962   12.710 -0.6714478 18.09688 
1 1 1  -21   10   18 o  415.040   6.2575  465.813   14.031  454.177   19.751  477.670   19.938  409.804   8.9190  420.275   8.7792 -10.47134 12.51491 
1 1 1  -21   10   19 o  276.377   5.8941  206.863   8.7882  199.576   12.649  213.662   12.219  271.657   8.6169  281.097   8.0442 -9.440277 11.78816 
1 1 1  -21   10   20 o  468.125   6.6976  592.827   16.937  575.047   23.883  610.817   24.024  461.056   9.5863  475.193   9.3559 -14.13736 13.39513 
1 1 1  -21   10   21 o  214.830   6.5733  124.661   7.5657  126.221   11.506  123.473   10.042  215.996   9.8583  213.663   8.6974 2.332581 13.14656 
1 1 1  -21   10   23 o  301.936   6.1160  245.676   9.9573  260.453   14.681  233.089   13.550  310.309   8.7556  293.564   8.5418 16.74570 12.23201 
1 1 1  -21   10   24 o  556.539   7.5233  838.345   22.624  825.749   31.828  851.209   32.164  552.312   10.664  560.767   10.615 -8.454895 15.04652 
1 1 1  -21   10   25 o  214.736   6.5880  124.746   7.6353  116.611   10.687  133.227   10.912  207.580   9.5279  221.892   9.1009 -14.31209 13.17599 
1 1 1  -21   10   26 o  421.951   6.4532  481.755   14.710  482.224   21.041  481.307   20.574  422.145   9.2239  421.757   9.0275 0.3878479 12.90644 
1 1 1  -21   10   27 o  553.538   7.4986  829.549   22.427  814.791   31.498  844.724   31.940  548.543   10.626  558.533   10.583 -9.990234 14.99725 
1 1 1  -21   10   28 o  120.815   9.8049   39.505   6.3850   41.088   9.4361   38.168   8.6717  123.029   14.194  118.602   13.531 4.426804 19.60983 
1 1 1  -21   10   29 o  126.112   9.4483   42.113   6.2579   58.785   9.6356   29.951   8.2297  147.223   12.112  104.999   14.505 42.22391 18.89668 
1 1 1  -21   10   30 o  570.446   9.3456  881.688   27.302  878.066   33.592  888.739   46.860  569.152   10.922  571.739   15.168 -2.587463 18.69116 
1 1 1  -21   10   31 o  392.054   8.9246  417.278   18.891  415.991   27.251  418.468   26.213  391.434   12.883  392.675   12.354 -1.240509 17.84911 
1 1 1  -21   10   32 o  117.092   21.979   38.806   13.396   0.0000   0.0000   38.806   13.396  ?   ?   117.092   21.979      ?      ? 
1 1 1  -21   10   33 o  237.499   12.089  153.243   15.514   0.0000   0.0000  153.243   15.514  ?   ?   237.499   12.089      ?      ? 
1 1 1  -21   10   34 o  131.812   14.840   55.737   9.1612   27.050   14.340   75.518   11.908   97.053   26.568  166.571   13.230 -69.51873 29.67964 
1 1 1  -21   10   35 o  244.547   6.1164  162.097   8.0624  162.699   11.837  161.576   11.012  244.941   8.9429  244.153   8.3466 0.7887726 12.23279 
1 1 1  -21   10   36 o  528.928   7.2735  759.981   20.785  762.689   29.714  757.387   29.083  529.824   10.379  528.031   10.193 1.792480 14.54693 
1 1 1  -21   10   37 o  297.213   6.0226  239.936   9.6487  236.469   14.092  242.995   13.239  295.140   8.8361  299.285   8.1859 -4.145294 12.04518 
1 1 1  -21   10   38 o  437.401   6.5556  518.891   15.459  532.025   22.756  507.636   21.067  442.467   9.5176  432.334   9.0177 10.13318 13.11122 
1 1 1  -21   10   39 o  344.555   6.0017  322.215   11.160  324.389   16.222  320.261   15.377  345.618   8.6860  343.491   8.2846 2.127075 12.00336 
1 1 1  -21   10   40 o  128.763   8.8354   44.190   6.0626   55.725   9.4179   36.028   7.9224  142.782   12.207  114.744   12.777 28.03809 17.67087 
1 1 1  -21   10   41 o  132.096   8.6010   48.316   6.0312   44.439   9.2184   51.217   7.9750  127.224   13.409  136.968   10.775 -9.744057 17.20193 
1 1 1  -21   10   42 o  189.451   6.8515   97.326   6.9555  101.812   10.639   93.977   9.1918  193.153   10.194  185.750   9.1576 7.402847 13.70301 
1 1 1  -21   10   43 o  267.372   6.0837  194.302   8.7451  197.874   13.094  191.426   11.750  269.492   8.9915  265.252   8.1976 4.240051 12.16748 
1 1 1  -21   10   44 o   87.561   12.516   20.881   5.8389   34.212   9.1356   11.674   7.5921  111.002   15.231   64.119   19.864 46.88317 25.03109 
1 1 1  -21   10   45 o  415.238   6.4500  469.498   14.415  488.159   21.529  454.333   19.407  422.534   9.4290  407.942   8.8037 14.59183 12.90006 
1 1 1  -21   10   47 o  134.966   11.090   50.184   8.0878   0.0000   0.0000   50.184   8.0878  ?   ?   134.966   11.090      ?      ? 
1 1 1  -21   10   48 o  144.653   8.5683   55.536   6.5393   75.647   10.491   42.756   8.3629  165.258   11.748  124.047   12.476 41.21120 17.13666 
1 1 1  -21   10   49 o   73.266   19.933   16.151   8.1014   0.0000   0.0000   16.151   8.1014  ?   ?    73.266   19.933      ?      ? 
1 1 1  -21   10   50 o   47.924   19.312   3.8631   7.6924   0.0000   0.0000   3.8631   7.6924  ?   ?    47.924   19.312      ?      ? 
1 1 1  -21   10   51 o  175.962   7.4117   85.705   6.9328   86.026   10.821   85.481   9.0296  175.853   11.387  176.070   9.4906 -0.2171021 14.82349 
1 1 1  -21   10   52 o  207.308   6.8806  117.769   7.6074  125.831   11.900  112.198   9.8927  212.934   10.343  201.682   9.0774 11.25275 13.76113 
1 1 1  -21   10   53 f  118.179   10.363   38.762   6.5106   47.457   10.402   33.162   8.3479  128.598   14.969  107.760   14.336 20.83754 20.72696 
1 1 1  -21   10   54 o  249.893   8.8100  172.635   11.896   0.0000   0.0000  172.635   11.896  ?   ?   249.893   8.8100      ?      ? 
1 1 1  -21   10   55 o  139.419   9.4379   55.175   7.0055   56.505   10.918   54.244   9.1337  140.250   14.406  138.587   12.197 1.662460 18.87581 
1 1 1  -21   10   56 o   95.048   14.023   27.137   6.8745   37.002   11.107   21.011   8.7524  108.875   19.600   81.221   20.061 27.65425 28.04587 
1 1 1  -21   10   57 o   63.706   15.592   11.974   6.5222   17.540   10.354   8.3112   8.3981   72.471   23.297   54.941   20.728 17.53015 31.18307 
1 1 1  -21   10   58 o   67.820   15.593   15.792   6.6594   12.226   10.797   17.981   8.4603   62.123   23.487   73.516   20.516 -11.39349 31.18576 
1 1 1  -21   10   60 f   66.980   17.186   11.373   9.1701   30.000   14.095  -2.2973   12.075   87.766   27.046   46.194   21.211 41.57202 34.37141 
1 1 1  -21   10   61 o  186.899   14.713  108.024   13.997  177.072   24.247   73.513   17.142  229.585   19.545  144.212   21.997 85.37305 29.42602 
1 1 1  -21   10   62 o  128.781   18.336   57.505   12.088   95.360   21.545   40.113   14.603  158.419   25.168   99.143   26.674 59.27598 36.67285 
1 1 1  -21   11    1 o  516.928   8.8164  718.289   22.643  735.586   41.341  710.877   27.063  521.177   14.680  512.679   9.7688 8.497620 17.63289 
1 1 1  -21   11    2 o  314.513   8.5306  267.532   14.446  269.369   21.389  265.991   19.588  315.486   12.547  313.541   11.561 1.944794 17.06125 
1 1 1  -21   11    3 o  630.047   11.645  1075.11   39.622  1089.86   57.185  1061.49   54.950  634.178   16.687  625.916   16.247 8.262390 23.28996 
1 1 1  -21   11    4 o  1211.75   20.803  3993.92  135.942  3851.35  185.343  4159.91  199.995  1188.62   28.857  1234.88   29.971 -46.26550 41.60502 
1 1 1  -21   11    5 o  557.180   9.1855  821.167   25.508  792.434   30.392  889.640   46.917  541.250   10.391  573.110   15.150 -31.85968 18.37106 
1 1 1  -21   11    6 o  766.489   11.769  1587.28   45.828  1577.89   55.898  1606.53   80.039  763.433   13.550  769.544   19.248 -6.111084 23.53889 
1 1 1  -21   11    7 o  652.619   8.3744  1152.47   29.531  1139.88   41.584  1165.29   41.945  649.021   11.857  656.218   11.829 -7.197266 16.74870 
1 1 1  -21   11    8 o  857.755   10.587  1991.17   49.043  1944.11   67.931  2042.40   70.877  847.199   14.839  868.310   15.106 -21.11139 21.17469 
1 1 1  -21   11    9 o  544.104   7.2856  800.526   21.416  782.015   29.931  819.946   30.657  537.661   10.302  550.546   10.305 -12.88483 14.57119 
1 1 1  -21   11   10 o  325.458   5.6700  286.688   9.9604  278.824   14.305  294.089   13.877  321.114   8.2439  329.802   7.7868 -8.687286 11.34004 
1 1 1  -21   11   11 o  410.213   6.1770  455.012   13.688  440.479   19.242  469.901   19.477  403.579   8.8233  416.847   8.6468 -13.26828 12.35392 
1 1 1  -21   11   12 o  170.324   6.6650   78.701   6.1053   75.728   8.9841   81.252   8.3222  167.316   9.9368  173.332   8.8852 -6.015854 13.32997 
1 1 1  -21   11   13 o  603.967   7.8997  987.044   25.779  987.224   36.742  986.870   36.177  604.014   11.257  603.920   11.086 0.9429932E-01 15.79935 
1 1 1  -21   11   14 o  746.771   9.4198  1508.98   37.999  1474.59   52.908  1545.62   54.610  737.994   13.267  755.547   13.376 -17.55347 18.83969 
1 1 1  -21   11   15 o  708.658   9.0117  1359.52   34.506  1355.11   49.048  1363.85   48.555  707.510   12.829  709.806   12.659 -2.296448 18.02331 
1 1 1  -21   11   16 o  1269.28   15.317  4377.89  105.051  4380.65  148.991  4375.16  148.143  1269.66   21.716  1268.90   21.605 0.7581787 30.63315 
1 1 1  -21   11   17 o   88.164   12.933   21.310   6.0742   27.065   8.9772   16.450   8.2493   99.908   16.628   76.420   19.812 23.48849 25.86542 
1 1 1  -21   11   18 o  285.625   6.0552  220.462   9.2965  222.342   13.905  218.944   12.501  286.711   8.9754  284.539   8.1303 2.171356 12.11030 
1 1 1  -21   11   19 o  259.222   6.2880  181.882   8.7835  179.911   12.873  183.598   12.015  257.896   9.2376  260.548   8.5336 -2.651672 12.57603 
1 1 1  -21   11   20 o  606.453   11.242  995.416   36.840   0.0000   0.0000  995.416   36.840  ?   ?   606.453   11.242      ?      ? 
1 1 1  -21   11   21 o  567.491   7.6523  871.493   23.464  857.579   33.023  885.682   33.347  562.914   10.856  572.069   10.788 -9.155151 15.30462 
1 1 1  -21   11   22 o  149.969   8.8532   62.266   7.0130   52.092   10.510   70.433   9.4159  138.633   14.029  161.306   10.802 -22.67332 17.70643 
1 1 1  -21   11   23 o  396.615   6.3976  425.262   13.686  431.471   20.030  419.825   18.744  399.313   9.2830  393.917   8.8059 5.395813 12.79529 
1 1 1  -21   11   24 o  389.431   6.4290  410.060   13.501  414.921   19.791  405.830   18.464  391.571   9.3536  387.291   8.8226 4.279480 12.85799 
1 1 1  -21   11   25 o  223.489   9.3202  135.168   11.256   0.0000   0.0000  135.168   11.256  ?   ?   223.489   9.3202      ?      ? 
1 1 1  -21   11   27 o  465.244   6.8907  585.202   17.269  598.338   25.573  574.191   23.414  469.998   10.069  460.490   9.4093 9.507568 13.78131 
1 1 1  -21   11   28 o  257.165   6.5220  178.156   9.0197  188.193   13.567  170.205   12.075  263.604   9.5246  250.726   8.9122 12.87740 13.04394 
1 1 1  -21   11   29 o  420.952   7.9555  476.731   17.293  468.066   21.405  493.018   29.346  415.696   9.5290  426.208   12.742 -10.51233 15.91095 
1 1 1  -21   11   30 o  235.756   8.9669  151.650   11.358  141.779   16.624  160.293   15.555  228.452   13.467  243.060   11.843 -14.60759 17.93372 
1 1 1  -21   11   31 o  215.227   13.409  125.923   15.595   0.0000   0.0000  125.923   15.595  ?   ?   215.227   13.409      ?      ? 
1 1 1  -21   11   32 o  297.882   11.572  240.991   18.627   0.0000   0.0000  240.991   18.627  ?   ?   297.882   11.572      ?      ? 
1 1 1  -21   11   33 o  162.858   11.224   74.641   9.5367   61.757   14.739   83.919   12.507  150.130   18.169  175.587   13.182 -25.45700 22.44724 
1 1 1  -21   11   34 o  312.596   5.9791  264.599   10.089  270.965   14.677  258.897   13.891  316.139   8.5914  309.053   8.3177 7.086548 11.95815 
1 1 1  -21   11   35 f  180.910   7.1628   88.595   6.9886   94.016   10.281   83.938   9.5290  186.028   10.227  175.792   10.031 10.23553 14.32554 
1 1 1  -21   11   36 o   95.713   12.112   24.611   6.0330   31.545   9.7107   20.252   7.6992  107.131   16.774   84.295   17.476 22.83595 24.22403 
1 1 1  -21   11   37 o  547.076   7.4784  814.291   22.096  818.510   31.808  810.357   30.718  548.387   10.734  545.766   10.416 2.621460 14.95682 
1 1 1  -21   11   38 o  156.582   8.1231   66.748   6.8092   67.477   10.384   66.199   9.0189  157.239   12.221  155.925   10.704 1.313965 16.24625 
1 1 1  -21   11   39 o  535.100   7.3734  779.047   21.284  798.976   31.169  761.636   29.135  541.403   10.654  528.796   10.196 12.60706 14.74690 
1 1 1  -21   11   40 o  131.853   9.0326   47.628   6.3980   47.937   9.5911   47.380   8.5881  132.137   13.432  131.568   12.080 0.5688477 18.06514 
1 1 1  -21   11   41 o  225.089   6.2356  135.353   7.4850  153.626   11.802  123.057   9.6812  237.488   9.1965  212.689   8.4236 24.79852 12.47122 
1 1 1  -21   11   42 o  214.984   8.4845  125.801   9.8564   0.0000   0.0000  125.801   9.8564  ?   ?   214.984   8.4845      ?      ? 
1 1 1  -21   11   43 o   63.441   12.795   10.108   5.9104  -4.6222   9.0045   21.258   7.8343   41.137   18.670   85.745   17.501 -44.60790 25.58969 
1 1 1  -21   11   44 o  186.753   7.1516   94.608   7.1756  104.086   10.885   87.323   9.5427  194.891   10.336  178.616   9.8869 16.27498 14.30325 
1 1 1  -21   11   45 o  207.756   8.9506  117.952   10.048   0.0000   0.0000  117.952   10.048  ?   ?   207.756   8.9506      ?      ? 
1 1 1  -21   11   46 o   55.310   14.485   6.4401   5.8681   11.182   8.8908   2.7797   7.8112   63.602   21.633   47.017   19.269 16.58522 28.97040 
1 1 1  -21   11   47 o  139.675   8.7112   52.400   6.4302   70.911   10.057   39.599   8.3630  160.075   11.626  119.275   12.976 40.80013 17.42234 
1 1 1  -21   11   48 f   86.549   12.616   22.948   5.6668   16.875   8.8964   27.094   7.3511   74.735   21.103   98.364   13.830 -23.62824 25.23121 
1 1 1  -21   11   49 o  137.418   8.5650   53.735   6.1970   46.215   9.4546   59.398   8.2053  128.246   13.643  146.590   10.359 -18.34476 17.12992 
1 1 1  -21   11   50 o  141.636   8.3582   56.019   6.3326   55.043   9.6074   56.768   8.4206  140.218   12.680  143.055   10.893 -2.836304 16.71647 
1 1 1  -21   11   51 o  174.025   7.5485   83.690   7.0577   88.130   10.666   80.232   9.4130  177.918   11.094  170.131   10.239 7.786728 15.09706 
1 1 1  -21   11   52 o  183.395   7.3578   93.310   7.1797   94.836   11.204   92.247   9.3522  184.220   11.255  182.570   9.4797 1.650299 14.71557 
1 1 1  -21   11   53 o  215.883   6.8216  128.324   7.8728  136.506   12.194  122.476   10.310  221.400   10.192  210.367   9.0693 11.03232 13.64321 
1 1 1  -21   11   54 o  143.341   8.6061   58.427   6.5388   55.238   10.108   60.721   8.5743  139.291   13.430  147.391   10.766 -8.099564 17.21228 
1 1 1  -21   11   55 o  157.439   8.2005   69.435   6.9300   81.630   10.284   59.291   9.3795  170.239   11.179  144.639   12.001 25.60034 16.40093 
1 1 1  -21   11   56 f   47.541   12.843   0.5794   5.9799 -15.4542   9.1609   12.484   7.8935   31.992   15.674   63.091   20.348 -31.09862 25.68527 
1 1 1  -21   11   57 o   42.718   13.473  -0.8133   6.2733   1.7762   9.5156  -2.8040   8.3431   46.423   20.223   39.014   17.808 7.408562 26.94598 
1 1 1  -21   11   58 o  130.340   15.049   52.650   10.168   66.554   16.714   44.482   12.811  143.654   21.532  117.027   21.032 26.62683 30.09887 
1 1 1  -21   11   59 o   46.277   15.377  -7.5954   9.8852 -13.2230   15.113  -3.3874   13.068   44.803   21.512   47.750   21.978 -2.947224 30.75401 
1 1 1  -21   11   60 o   38.913   18.507  -6.6429   10.628  -6.6429   10.628   0.0000   0.0000   38.913   18.507  ?   ?       ?      ? 
1 1 1  -21   11   61 o  151.669   12.837   72.222   10.391   88.919   16.150   60.428   13.573  166.547   17.945  136.791   18.362 29.75618 25.67476 
1 1 1  -21   11   62 o   64.109   17.985   17.077   9.2460   21.806   14.041   13.457   12.286   69.085   26.621   59.132   24.191 9.953522 35.97065 
1 1 1  -21   12    1 o  371.058   9.0516  372.532   18.096  375.450   26.680  370.045   24.626  372.377   13.259  369.740   12.326 2.636566 18.10312 
1 1 1  -21   12    2 o  747.276   13.457  1515.44   54.339  1507.43   76.899  1523.42   76.794  745.294   19.094  749.258   18.967 -3.964539 26.91384 
1 1 1  -21   12    3 o  489.218   6.8714  647.452   18.162  643.410   25.887  651.370   25.487  487.708   9.8226  490.728   9.6116 -3.019623 13.74290 
1 1 1  -21   12    4 o  487.106   8.6650  630.718   20.653  669.369   39.038  615.695   24.338  497.102   14.533  477.109   9.4403 19.99280 17.32997 
1 1 1  -21   12    5 o  950.628   14.311  2468.33   69.679  2407.66  118.556  2500.34   86.125  940.878   23.319  960.379   16.596 -19.50153 28.62125 
1 1 1  -21   12    6 o  198.329   8.3055  106.708   8.4593  107.279   10.463  105.631   14.374  199.149   9.7229  197.509   13.468 1.640152 16.61099 
1 1 1  -21   12    7 o  734.716   11.454  1453.35   42.597  1435.54   51.702  1490.99   75.162  728.154   13.140  741.278   18.764 -13.12390 22.90743 
1 1 1  -21   12    8 o  805.989   10.062  1759.46   43.822  1755.46   62.085  1763.43   61.862  805.070   14.271  806.907   14.188 -1.837463 20.12372 
1 1 1  -21   12   22 o  599.639   11.335  973.751   36.727   0.0000   0.0000  973.751   36.727  ?   ?   599.639   11.335      ?      ? 
1 1 1  -21   12   25 o  576.051   7.8993  899.297   24.578  865.685   34.620  933.456   34.900  565.172   11.336  586.930   11.004 -21.75781 15.79851 
1 1 1  -21   12   27 o  162.462   8.3727   72.259   7.2806   63.994   10.618   79.594   10.003  153.559   12.796  171.365   10.802 -17.80661 16.74547 
1 1 1  -21   12   28 o  366.587   8.7705  364.276   17.355  373.423   25.247  356.081   23.896  370.920   12.596  362.254   12.207 8.665222 17.54096 
1 1 1  -21   12   29 o  319.288   8.5395  276.092   14.709  286.937   21.570  266.667   20.109  325.111   12.278  313.465   11.872 11.64532 17.07893 
1 1 1  -21   12   30 o  564.442   15.232  868.018   46.459   0.0000   0.0000  868.018   46.459  ?   ?   564.442   15.232      ?      ? 
1 1 1  -21   12   31 o  387.564   9.1167  409.751   18.999  395.045   28.001  422.297   25.863  380.954   13.602  394.173   12.142 -13.21890 18.23331 
1 1 1  -21   12   32 o  315.693   8.7239  271.585   14.843  249.549   21.027  293.468   20.954  302.816   12.850  328.569   11.802 -25.75269 17.44779 
1 1 1  -21   12   33 o  298.813   6.0044  242.388   9.6794  235.547   13.972  248.702   13.422  294.718   8.7730  302.907   8.2004 -8.188416 12.00884 
1 1 1  -21   12   34 o  318.085   6.0892  274.305   10.441  276.880   15.334  272.080   14.257  319.434   8.8838  316.736   8.3302 2.698547 12.17839 
1 1 1  -21   12   35 o  252.925   6.1107  174.244   8.3178  165.254   12.122  182.243   11.434  246.675   9.0941  259.174   8.1646 -12.49905 12.22136 
1 1 1  -21   12   36 o  318.945   6.1164  276.325   10.517  273.684   15.363  278.655   14.429  317.455   8.9557  320.435   8.3330 -2.980133 12.23283 
1 1 1  -21   12   37 f  100.039   11.863   29.397   5.9602   21.959   9.2099   34.757   7.8181   87.295   19.959  112.782   12.828 -25.48702 23.72602 
1 1 1  -21   12   38 o  352.049   6.1185  336.749   11.605  338.150   17.100  335.553   15.800  352.649   8.9737  351.449   8.3195 1.200073 12.23690 
1 1 1  -21   12   39 o  237.123   6.2611  153.786   7.9231  147.553   12.060  158.521   10.510  232.729   9.5894  241.517   8.0529 -8.788116 12.52218 
1 1 1  -21   12   40 o  395.269   6.2748  425.510   13.396  411.534   18.987  439.362   18.902  388.748   9.0385  401.790   8.7062 -13.04175 12.54961 
1 1 1  -21   12   41 o   59.757   14.797   9.1185   5.8811   9.6302   8.6999   8.6879   7.9808   61.139   21.374   58.374   20.468 2.764870 29.59376 
1 1 1  -21   12   42 o  362.105   6.0992  356.057   11.892  371.918   17.722  343.067   16.039  369.321   8.8801  354.890   8.3634 14.43073 12.19849 
1 1 1  -21   12   43 o  269.551   6.0741  198.296   8.8065  197.632   13.084  198.846   11.908  269.010   9.0008  270.092   8.1587 -1.082458 12.14824 
1 1 1  -21   12   44 o  114.888   9.5543   35.718   5.8604   43.587   9.1279   30.200   7.6439  125.406   13.470  104.370   13.553 21.03592 19.10855 
1 1 1  -21   12   45 o  291.084   5.9677  231.285   9.3305  232.946   14.001  229.957   12.514  291.854   8.8779  290.313   7.9773 1.541107 11.93542 
1 1 1  -21   12   46 o   96.436   12.064   27.187   6.0589   22.910   8.8336   30.987   8.3260   87.765   19.164  105.106   14.660 -17.34120 24.12763 
1 1 1  -21   12   47 o  193.380   10.320  103.070   10.784  103.070   10.784   0.0000   0.0000  193.380   10.320  ?   ?       ?      ? 
1 1 1  -21   12   48 o  136.094   8.6297   52.156   6.2537   47.722   9.4258   55.642   8.3582  130.456   13.371  141.732   10.913 -11.27499 17.25942 
1 1 1  -21   12   49 o  192.458   6.9237  102.433   7.1617   99.992   10.619  104.470   9.6998  190.120   10.336  194.797   9.2150 -4.677185 13.84739 
1 1 1  -21   12   50 o   96.893   11.962   27.389   5.9723   27.940   9.5279   27.032   7.6651   96.232   18.997   97.554   14.541 -1.321899 23.92312 
1 1 1  -21   12   51 o  120.811   10.164   42.690   6.4226   35.450   9.8082   48.125   8.4980  110.650   16.404  130.971   12.007 -20.32038 20.32896 
1 1 1  -21   12   52 o   46.664   13.972   2.0651   6.1424  -0.6284   9.3306   4.1252   8.1600   44.744   19.741   48.585   19.777 -3.840366 27.94367 
1 1 1  -21   12   53 o  171.184   7.6747   83.279   6.9477   73.665   10.573   90.584   9.2167  161.640   12.105  180.728   9.4376 -19.08809 15.34950 
1 1 1  -21   12   54 o   45.092   13.586   1.8439   5.8219   0.0371   8.9397   3.1745   7.6717   44.330   19.448   45.854   18.976 -1.524033 27.17171 
1 1 1  -21   12   55 o   68.115   15.125   14.984   6.4313   10.216   9.6429   18.804   8.6314   59.681   22.272   76.548   20.470 -16.86695 30.24979 
1 1 1  -21   12   56 o   86.585   14.171   24.679   6.4384   22.621   10.082   26.097   8.3669   81.741   22.235   91.429   17.574 -9.688103 28.34115 
1 1 1  -21   12   57 o   39.189   13.200  -9.3520   7.6259 -27.5450   15.048  -3.0655   8.8458   38.367   19.037   40.010   18.291 -1.642670 26.40032 
1 1 1  -21   12   59 o  111.631   18.328   48.510   10.852   46.284   15.452   50.676   15.244  107.820   26.669  115.441   25.148 -7.620850 36.65630 
1 1 1  -21   12   60 o   57.686   17.263   8.8347   9.3383   14.820   13.988   4.0225   12.543   63.934   25.944   51.438   22.781 12.49593 34.52609 
1 1 1  -21   12   61 o  121.065   17.084   56.157   10.738   54.955   15.913   57.162   14.550  117.189   25.825  124.941   22.373 -7.751740 34.16814 
1 1 1  -21   13    1 o  616.278   12.110  1027.96   40.329  1027.96   40.329   0.0000   0.0000  616.278   12.110  ?   ?       ?      ? 
1 1 1  -21   13    2 o  485.153   7.2995  636.434   19.097  582.312   26.643  693.622   27.388  463.932   10.628  506.374   10.009 -42.44193 14.59904 
1 1 1  -21   13    3 o  1025.14   17.686  2850.04   97.970   0.0000   0.0000  2850.04   97.970  ?   ?   1025.14   17.686      ?      ? 
1 1 1  -21   13    4 o  170.261   10.335   78.423   9.5088   0.0000   0.0000   78.423   9.5088  ?   ?   170.261   10.335      ?      ? 
1 1 1  -21   13    5 f  411.931   8.1679  463.913   16.785  446.847   29.955  471.724   20.265  406.221   13.646  417.641   8.9798 -11.42053 16.33586 
1 1 1  -21   13    6 o  240.442   8.4691  141.969   9.4051  185.203   20.320  130.181   10.610  261.486   14.381  219.398   8.9495 42.08780 16.93811 
1 1 1  -21   13    7 o  438.059   13.262  519.594   31.393   0.0000   0.0000  519.594   31.393  ?   ?   438.059   13.262      ?      ? 
1 1 1  -21   13    8 o  733.730   11.476  1454.62   42.802  1445.43   52.233  1473.42   74.679  730.618   13.230  736.841   18.756 -6.223755 22.95258 
1 1 1  -21   13    9 o  313.362   6.1077  265.519   10.310  266.145   15.199  264.985   14.032  313.693   8.9668  313.032   8.2953 0.6606445 12.21533 
1 1 1  -21   13   10 o  359.648   6.2244  350.043   12.067  346.707   17.650  352.971   16.535  358.024   9.1231  361.271   8.4702 -3.247101 12.44887 
1 1 1  -21   13   11 o  486.345   6.9849  640.034   18.352  633.380   26.159  646.482   25.753  483.848   10.005  488.843   9.7493 -4.995758 13.96976 
1 1 1  -21   13   12 o  426.294   9.1334  491.558   21.039   0.0000   0.0000  491.558   21.039  ?   ?   426.294   9.1334      ?      ? 
1 1 1  -21   13   13 o  142.601   9.0109   55.284   6.8748   53.401   10.385   56.752   9.1724  140.406   13.688  144.795   11.723 -4.388321 18.02178 
1 1 1  -21   13   14 o  320.337   6.2274  276.989   10.739  283.721   15.974  271.437   14.507  323.869   9.1276  316.805   8.4739 7.063934 12.45475 
1 1 1  -21   13   15 o  512.305   7.2505  710.115   20.068  692.359   28.267  728.159   28.496  505.842   10.341  518.768   10.165 -12.92618 14.50101 
1 1 1  -21   13   16 o  467.122   6.9277  589.749   17.454  600.147   25.567  580.673   23.887  470.958   10.047  463.287   9.5416 7.670624 13.85546 
1 1 1  -21   13   17 o  152.454   8.9423   63.582   7.2859   57.502   10.802   68.656   9.8686  145.667   13.723  159.242   11.469 -13.57396 17.88466 
1 1 1  -21   13   18 o  556.078   7.6028  837.251   22.841  831.326   32.568  842.985   32.042  554.128   10.877  558.027   10.626 -3.898438 15.20564 
1 1 1  -21   13   19 o  196.503   7.4793  105.099   7.8991   95.791   11.410  113.665   10.946  188.078   11.227  204.927   9.8848 -16.84978 14.95865 
1 1 1  -21   13   20 o  402.837   6.5181  438.497   14.171  408.405   19.673  470.948   20.429  388.483   9.3713  417.191   9.0620 -28.70834 13.03620 
1 1 1  -21   13   21 o  670.076   8.7036  1216.64   31.512  1210.89   44.781  1222.27   44.352  668.495   12.397  671.657   12.220 -3.162170 17.40721 
1 1 1  -21   13   22 o  572.555   7.7829  887.899   24.067  889.790   34.614  886.130   33.485  573.123   11.177  571.988   10.834 1.135071 15.56572 
1 1 1  -21   13   23 o  262.362   6.3532  185.646   8.9714  193.780   13.403  179.044   12.075  267.533   9.2714  257.191   8.6887 10.34103 12.70639 
1 1 1  -21   13   24 o  382.407   6.4127  395.604   13.234  367.808   18.440  425.124   19.003  368.551   9.2592  396.263   8.8746 -27.71255 12.82542 
1 1 1  -21   13   25 o  484.883   7.0082  636.844   18.359  619.149   25.822  654.931   26.107  478.062   9.9958  491.704   9.8257 -13.64209 14.01643 
1 1 1  -21   13   26 o  495.653   9.9644  667.514   26.686  655.180   37.658  679.955   37.821  491.034   14.192  500.272   13.991 -9.238037 19.92887 
1 1 1  -21   13   27 o  270.871   8.7804  198.945   12.838  203.806   18.681  194.595   17.672  273.982   12.618  267.760   12.214 6.222382 17.56089 
1 1 1  -21   13   28 o  277.688   8.7544  209.312   13.120  211.959   19.080  206.937   18.071  279.322   12.641  276.054   12.114 3.267487 17.50883 
1 1 1  -21   13   29 o  186.214   9.9054   94.044   9.9672   0.0000   0.0000   94.044   9.9672  ?   ?   186.214   9.9054      ?      ? 
1 1 1  -21   13   30 o  392.012   9.0796  418.573   19.211  402.252   27.452  434.234   26.893  384.435   13.215  399.589   12.455 -15.15414 18.15925 
1 1 1  -21   13   31 o  145.907   14.153   62.533   10.227   45.248   15.717   75.225   13.468  125.809   23.995  166.005   15.014 -40.19621 28.30545 
1 1 1  -21   13   32 o  324.385   6.0807  284.474   10.604  293.837   15.926  277.016   14.213  329.115   8.9549  319.656   8.2286 9.458771 12.16142 
1 1 1  -21   13   33 o  347.010   6.2017  327.177   11.611  318.302   16.748  335.391   16.112  342.423   9.0511  351.596   8.4806 -9.172882 12.40333 
1 1 1  -21   13   34 f  137.434   8.4835   50.207   6.2203   61.777   9.7119   42.160   8.0995  150.527   11.940  124.341   12.055 26.18611 16.96696 
1 1 1  -21   13   35 o   70.029   14.602   13.808   6.2123   7.6623   9.1803   18.999   8.4377   58.774   21.771   81.284   19.467 -22.51025 29.20500 
1 1 1  -21   13   36 o  106.851   10.748   31.125   6.0857   32.526   9.6872   30.212   7.8218  108.668   16.497  105.034   13.781 3.634445 21.49609 
1 1 1  -21   13   37 o   81.193   13.637   19.218   5.8668   17.577   8.9383   20.460   7.7763   77.920   20.828   84.467   17.608 -6.547813 27.27347 
1 1 1  -21   13   38 o  323.151   6.0010  283.567   10.424  288.223   15.616  279.826   13.999  325.439   8.8800  320.863   8.0742 4.575928 12.00199 
1 1 1  -21   13   39 o  334.823   6.0693  305.645   10.948  296.431   15.967  313.822   15.041  329.945   8.9556  339.701   8.1941 -9.755371 12.13863 
1 1 1  -21   13   40 o   86.879   13.009   21.529   5.8748   24.553   9.0192   19.300   7.7426   92.117   18.757   81.641   18.032 10.47521 26.01854 
1 1 1  -21   13   41 o   58.597   13.163   8.6463   5.4998  -1.2814   8.4725   15.876   7.2301   43.394   18.988   73.800   18.236 -30.40602 26.32640 
1 1 1  -21   13   42 o  229.802   6.3227  143.856   7.7355  146.264   12.058  142.172   10.084  231.231   9.6505  228.373   8.1714 2.858246 12.64531 
1 1 1  -21   13   43 o   81.586   13.595   20.191   5.8499   16.406   9.3160   22.656   7.5165   74.519   21.771   88.653   16.291 -14.13468 27.19090 
1 1 1  -21   13   44 o  366.129   6.1647  365.600   12.147  375.665   18.109  357.366   16.379  370.537   9.0441  361.721   8.3796 8.816681 12.32939 
1 1 1  -21   13   45 o  162.927   7.6904   70.817   6.6462   86.685   10.724   60.920   8.4688  177.156   11.202  148.699   10.540 28.45659 15.38076 
1 1 1  -21   13   46 o  195.928   6.8386  106.655   7.1289   98.086   10.808  113.254   9.4850  188.544   10.608  203.313   8.6334 -14.76979 13.67713 
1 1 1  -21   13   47 o  147.696   8.1866   59.913   6.4957   67.710   9.8400   53.892   8.6477  156.084   11.667  139.308   11.488 16.77591 16.37315 
1 1 1  -21   13   48 o  139.252   8.7330   55.992   6.3324   42.636   9.4342   66.943   8.5426  122.881   14.208  155.624   10.158 -32.74315 17.46605 
1 1 1  -21   13   49 o  187.260   7.2028   97.261   7.2227   95.891   10.924   98.325   9.6274  185.764   10.883  188.756   9.4388 -2.991882 14.40564 
1 1 1  -21   13   50 o  258.845   6.3167  185.568   8.7519  179.009   13.176  190.746   11.707  254.330   9.5876  263.360   8.2267 -9.030243 12.63332 
1 1 1  -21   13   51 o  126.880   9.6713   46.678   6.4800   40.197   9.7756   51.759   8.6547  118.046   15.325  135.713   11.802 -17.66702 19.34268 
1 1 1  -21   13   52 o  215.459   6.7535  128.321   7.8069  133.078   11.850  124.672   10.377  218.681   10.028  212.236   9.0484 6.444870 13.50690 
1 1 1  -21   13   53 o   43.740   13.277   0.7677   5.7879  -3.6625   8.8984   4.0164   7.6201   40.332   18.402   47.148   19.143 -6.816101 26.55363 
1 1 1  -21   13   54 o  148.188   8.6788   62.833   6.8520   59.967   10.444   64.999   9.0793  144.505   13.375  151.872   11.063 -7.366684 17.35758 
1 1 1  -21   13   55 o  103.303   12.498   31.779   6.5957   47.466   10.221   20.584   8.6343  126.981   14.895   79.625   20.073 47.35602 24.99571 
1 1 1  -21   13   56 o  143.699   12.425   64.004   8.0916   61.261   16.291   64.902   9.3230  136.686   22.056  150.713   11.448 -14.02678 24.84986 
1 1 1  -21   13   58 o   94.222   19.187   35.507   10.421   31.441   15.483   38.874   14.089   86.882   28.530  101.561   25.663 -14.67863 38.37376 
1 1 1  -21   13   59 o  108.100   17.021   44.224   10.566   68.131   15.554   23.739   14.397  141.717   20.311   74.484   27.320 67.23323 34.04270 
1 1 1  -21   13   60 o  193.750   11.384  119.455   11.702  110.158   17.705  126.667   15.594  183.848   17.822  203.652   14.170 -19.80342 22.76891 
1 1 1  -21   14    1 o   89.106   13.691   21.935   6.6645   32.386   9.7270   12.688   9.1496  109.281   16.472   68.932   21.873 40.34821 27.38199 
1 1 1  -21   14    2 o  713.494   9.1693  1378.39   35.349  1357.73   49.632  1399.66   50.359  708.068   12.972  718.920   12.963 -10.85229 18.33857 
1 1 1  -21   14    3 o  639.979   8.4315  1108.82   29.156  1101.37   41.352  1116.18   41.116  637.833   11.998  642.125   11.850 -4.291565 16.86292 
1 1 1  -21   14    4 o   89.734   13.993   22.465   6.5622   25.053   9.9983   20.507   8.6978   94.245   20.237   85.224   19.331 9.021164 27.98635 
1 1 1  -21   14    6 o  288.739   14.456  225.901   22.555  225.901   22.555   0.0000   0.0000  288.739   14.456  ?   ?       ?      ? 
1 1 1  -21   14    7 o  272.854   8.9218  206.217   11.268  192.590   22.494  210.783   13.020  266.539   15.618  279.168   8.6307 -12.62906 17.84364 
1 1 1  -21   14    8 o  363.214   12.563  357.207   24.656   0.0000   0.0000  357.207   24.656  ?   ?   363.214   12.563      ?      ? 
1 1 1  -21   14    9 o  206.959   8.7488  114.399   9.4276  110.343   11.748  121.734   15.800  201.929   10.767  211.989   13.793 -10.05934 17.49753 
1 1 1  -21   14   10 o  369.292   6.3628  368.129   12.667  379.266   18.671  358.632   17.242  374.445   9.2279  364.138   8.7629 10.30765 12.72562 
1 1 1  -21   14   11 o  482.119   9.8163  628.860   25.574   0.0000   0.0000  628.860   25.574  ?   ?   482.119   9.8163      ?      ? 
1 1 1  -21   14   12 o  546.241   7.5549  806.756   22.271  821.776   32.444  793.370   30.628  551.027   10.896  541.455   10.468 9.571350 15.10979 
1 1 1  -21   14   13 o  236.671   9.4166  151.546   12.043   0.0000   0.0000  151.546   12.043  ?   ?   236.671   9.4166      ?      ? 
1 1 1  -21   14   14 f  486.304   7.0960  640.119   18.644  625.924   26.371  654.303   26.361  480.904   10.148  491.704   9.9214 -10.79968 14.19208 
1 1 1  -21   14   15 o  639.929   8.4393  1108.24   29.169  1076.67   40.509  1142.24   42.036  630.478   11.890  649.379   11.979 -18.90137 16.87854 
1 1 1  -21   14   16 o  536.945   7.5057  780.621   21.776  774.023   30.909  787.124   30.683  534.684   10.698  539.207   10.531 -4.523315 15.01132 
1 1 1  -21   14   17 o  477.023   6.9596  615.616   17.929  623.189   25.867  608.615   24.873  479.834   9.9764  474.213   9.7065 5.621399 13.91922 
1 1 1  -21   14   18 o  232.138   6.7894  146.226   8.4907  139.685   12.323  152.136   11.715  227.165   10.039  237.111   9.1433 -9.945724 13.57889 
1 1 1  -21   14   19 f  514.840   7.3005  717.655   20.309  705.394   28.644  730.048   28.798  510.412   10.385  519.268   10.263 -8.855896 14.60106 
1 1 1  -21   14   20 o  782.333   9.9006  1660.54   41.849  1636.48   58.606  1685.57   59.778  776.560   13.966  788.105   14.037 -11.54468 19.80121 
1 1 1  -21   14   21 o  251.331   6.6533  171.266   8.9948  168.624   13.317  173.483   12.198  249.518   9.8767  253.144   8.9170 -3.626053 13.30652 
1 1 1  -21   14   22 o  110.259   12.044   34.323   6.7804   30.052   10.551   37.328   8.8495  103.278   19.624  117.240   13.969 -13.96258 24.08777 
1 1 1  -21   14   23 o  387.608   6.4708  406.992   13.538  403.634   19.575  410.071   18.743  386.052   9.3835  389.163   8.9127 -3.111389 12.94163 
1 1 1  -21   14   24 f  454.278   9.5394  560.532   23.411  557.432   33.436  563.513   32.790  453.016   13.659  455.540   13.321 -2.523315 19.07870 
1 1 1  -21   14   25 f  425.594   9.3076  490.777   21.354  508.559   31.511  475.676   29.039  432.651   13.478  418.536   12.840 14.11411 18.61510 
1 1 1  -21   14   26 o  261.503   9.0757  185.852   12.814  184.347   18.457  187.252   17.805  260.448   13.114  262.557   12.549 -2.108795 18.15131 
1 1 1  -21   14   27 o   89.443   15.198   25.797   7.6374   8.4459   13.696   33.626   9.2006   67.820   26.247  111.066   15.330 -43.24548 30.39644 
1 1 1  -21   14   28 o  306.439   8.9642  257.275   14.730  234.234   21.550  277.477   20.179  293.315   13.597  319.563   11.686 -26.24762 17.92837 
1 1 1  -21   14   29 o  309.691   9.0407  262.459   15.044  239.189   21.756  283.784   20.827  296.318   13.587  323.064   11.930 -26.74579 18.08148 
1 1 1  -21   14   30 f  310.082   8.9549  262.206   14.935  257.432   22.103  266.216   20.259  307.356   13.308  312.808   11.986 -5.451752 17.90980 
1 1 1  -21   14   31 o  106.232   11.230   30.735   6.4105   32.510   9.6893   29.353   8.5491  108.890   16.467  103.574   15.275 5.316605 22.46086 
1 1 1  -21   14   32 o  106.288   11.766   30.152   6.3523   45.285   10.078   20.177   8.1822  128.628   14.500   83.948   18.533 44.67988 23.53105 
1 1 1  -21   14   33 o  146.798   8.4583   58.734   6.6576   58.941   10.066   58.573   8.8765  146.946   12.677  146.650   11.201 0.2957916 16.91653 
1 1 1  -21   14   34 o  174.231   7.3878   82.770   6.8671   81.628   10.547   83.611   9.0473  173.081   11.277  175.381   9.5466 -2.299774 14.77557 
1 1 1  -21   14   35 o  253.006   6.2162  173.002   8.4218  180.838   12.920  167.214   11.105  257.877   9.2719  248.134   8.2823 9.742966 12.43245 
1 1 1  -21   14   36 o  211.281   6.6688  122.692   7.4718  114.932   11.534  128.303   9.8079  205.296   10.397  217.265   8.3541 -11.96878 13.33770 
1 1 1  -21   14   37 o  126.201   9.3672   43.096   6.2566   46.873   10.074   40.724   7.9827  130.469   14.290  121.934   12.115 8.535301 18.73433 
1 1 1  -21   14   38 o   67.904   14.392   13.485   6.0026   6.7785   9.6368   17.736   7.6729   57.598   22.089   78.210   18.454 -20.61238 28.78313 
1 1 1  -21   14   39 o  169.665   7.5596   80.017   6.7979   70.379   10.274   87.521   9.0662  160.190   11.869  179.140   9.3658 -18.95016 15.11925 
1 1 1  -21   14   40 o  227.855   6.4974  143.602   7.8508  130.375   11.989  153.533   10.388  218.285   10.164  237.424   8.0970 -19.13936 12.99484 
1 1 1  -21   14   41 o   67.567   14.826   12.971   5.8898   14.193   9.3056   12.154   7.6076   70.133   22.036   65.000   19.842 5.132278 29.65271 
1 1 1  -21   14   42 o   90.212   12.870   24.954   6.0183   16.399   9.2808   31.163   7.9059   74.474   21.721  105.949   13.809 -31.47557 25.73910 
1 1 1  -21   14   43 o   66.203   14.984   12.539   6.0130   13.141   9.2136   12.092   7.9360   67.648   21.998   64.757   20.350 2.890747 29.96750 
1 1 1  -21   14   44 o   64.779   13.723   11.992   6.0562   0.7478   9.4323   19.878   7.8995   47.664   20.444   81.894   18.310 -34.22918 27.44530 
1 1 1  -21   14   45 o  119.163   9.9164   38.771   6.3023   47.358   9.8878   32.895   8.1789  129.972   14.079  108.354   13.969 21.61848 19.83287 
1 1 1  -21   14   46 o  164.544   7.5817   74.133   6.6619   80.049   10.388   70.001   8.6823  169.836   11.320  159.253   10.089 10.58310 15.16333 
1 1 1  -21   14   47 o   45.861   13.704   0.5092   5.8678   5.5526   9.1890  -2.9634   7.6248   53.321   21.237   38.402   17.327 14.91888 27.40873 
1 1 1  -21   14   48 o  135.012   8.9603   50.723   6.4361   53.602   10.131   48.774   8.3341  137.815   13.604  132.210   11.666 5.605423 17.92054 
1 1 1  -21   14   49 o  215.247   6.9361  128.649   8.0080  125.780   11.995  130.956   10.756  212.726   10.435  217.768   9.1406 -5.041901 13.87227 
1 1 1  -21   14   50 o   45.058   13.368   0.2604   6.0514  -8.5333   9.2202   6.9147   8.0207   37.083   17.518   53.033   20.196 -15.94926 26.73528 
1 1 1  -21   14   51 o  169.299   8.1180   79.820   7.3687   85.728   11.283   75.427   9.7303  174.436   11.970  164.161   10.969 10.27513 16.23606 
1 1 1  -21   14   52 o  174.337   7.8657   84.130   7.3175   92.783   11.473   78.197   9.5006  181.438   11.702  167.235   10.513 14.20280 15.73133 
1 1 1  -21   14   53 o  125.147   10.504   46.245   6.9128   42.012   10.748   49.231   9.0280  118.991   16.715  131.302   12.724 -12.31077 21.00748 
1 1 1  -21   14   54 o  137.486   9.7749   55.957   7.0296   49.407   10.970   60.520   9.1565  129.116   15.723  145.856   11.618 -16.74016 19.54979 
1 1 1  -21   14   55 o   60.411   15.848   9.4383   7.1486   18.979   11.263   3.0030   9.2506   73.377   24.345   47.445   20.295 25.93291 31.69532 
1 1 1  -21   14   57 o   40.251   13.972 -19.0006   9.9883 -16.8626   16.052 -20.3514   12.759   43.826   21.313   36.677   18.074 7.149059 27.94469 
1 1 1  -21   14   58 o   69.254   18.974   20.057   9.9749   24.527   15.704   17.034   12.915   73.305   28.178   65.203   25.417 8.102547 37.94765 
1 1 1  -21   14   59 o   59.386   17.496   9.2628   9.4813   20.626   14.794   1.3419   12.351   70.341   27.263   48.431   21.934 21.91020 34.99138 
1 1 1  -21   15    1 o  284.573   8.9565  219.064   13.773   0.0000   0.0000  219.064   13.773  ?   ?   284.573   8.9565      ?      ? 
1 1 1  -21   15    2 o  385.370   6.6110  401.916   13.755  381.745   19.398  422.318   19.509  375.629   9.5568  395.110   9.1373 -19.48083 13.22207 
1 1 1  -21   15    3 o  260.072   6.5763  183.477   9.2158  170.191   13.167  196.234   12.903  250.803   9.7158  269.341   8.8653 -18.53783 13.15257 
1 1 1  -21   15    4 o  321.204   6.5606  279.573   11.368  268.199   16.336  290.250   15.828  314.845   9.6022  327.563   8.9421 -12.71786 13.12114 
1 1 1  -21   15    5 o  252.932   9.3297  173.080   12.752   0.0000   0.0000  173.080   12.752  ?   ?   252.932   9.3297      ?      ? 
1 1 1  -21   15    6 o  759.799   9.7139  1562.35   39.853  1511.59   55.096  1618.06   57.718  746.885   13.651  772.713   13.823 -25.82794 19.42780 
1 1 1  -21   15    7 o   79.426   16.613   19.927   8.2752  -9.6284   19.590   26.346   9.1297   61.904   27.867   96.948   18.093 -35.04398 33.22545 
1 1 1  -21   15    8 o  471.244   15.024  602.252   38.258  602.252   38.258   0.0000   0.0000  471.244   15.024  ?   ?       ?      ? 
1 1 1  -21   15    9 o  223.544   14.369  135.495   17.357   0.0000   0.0000  135.495   17.357  ?   ?   223.544   14.369      ?      ? 
1 1 1  -21   15   10 o  701.076   11.199  1321.83   39.672  1300.42   48.031  1367.79   70.375  692.755   12.831  709.396   18.359 -16.64032 22.39803 
1 1 1  -21   15   11 o  301.291   6.3185  245.107   10.267  253.275   15.093  238.074   14.006  305.943   9.1297  296.638   8.7375 9.304749 12.63710 
1 1 1  -21   15   12 o  214.485   7.3057  124.638   8.4582  121.909   12.167  127.190   11.767  212.200   10.611  216.770   10.045 -4.570618 14.61146 
1 1 1  -21   15   13 o  411.775   6.8778  458.394   15.254  465.023   22.570  452.819   20.697  414.486   10.077  409.063   9.3634 5.423706 13.75567 
1 1 1  -21   15   14 o  481.610   7.2124  627.933   18.768  617.018   26.553  638.830   26.530  477.419   10.293  485.801   10.106 -8.382141 14.42484 
1 1 1  -21   15   15 o  304.819   8.8903  251.417   14.644   0.0000   0.0000  251.417   14.644  ?   ?   304.819   8.8903      ?      ? 
1 1 1  -21   15   16 o  408.920   6.5893  451.387   14.538  420.476   20.018  485.891   21.149  394.138   9.3991  423.702   9.2374 -29.56418 13.17850 
1 1 1  -21   15   17 f  493.855   7.1321  658.581   19.005  623.918   26.039  698.095   27.801  479.994   10.039  507.715   10.133 -27.72086 14.26416 
1 1 1  -21   15   18 o  280.218   6.4879  212.884   9.8017  207.814   14.252  217.435   13.502  277.025   9.5206  283.410   8.8165 -6.385345 12.97580 
1 1 1  -21   15   19 o  391.583   6.5402  415.353   13.834  403.973   19.615  426.617   19.514  386.230   9.3984  396.937   9.0977 -10.70609 13.08044 
1 1 1  -21   15   20 o  166.052   8.2811   73.992   7.3826   81.644   11.250   68.205   9.7841  173.498   11.999  158.606   11.416 14.89180 16.56223 
1 1 1  -21   15   21 o   60.358   16.863   5.5881   7.9502   5.2060   10.117   6.2050   12.855   57.057   22.423   63.660   25.193 -6.602955 33.72625 
1 1 1  -21   15   22 o  413.340   9.1768  463.905   20.493  451.802   28.911  476.126   29.051  407.899   13.117  418.780   12.838 -10.88058 18.35365 
1 1 1  -21   15   23 o  627.703   11.751  1073.60   39.855  1056.76   55.924  1090.99   56.814  622.699   16.620  632.706   16.618 -10.00677 23.50266 
1 1 1  -21   15   24 o  183.956   10.302   92.270   10.201   90.068   14.996   94.167   13.918  181.843   15.262  186.068   13.842 -4.225037 20.60422 
1 1 1  -21   15   25 o  200.005   8.6641  105.860   8.6760  116.239   15.866  101.433   10.363  206.616   14.210  193.393   9.9162 13.22363 17.32818 
1 1 1  -21   15   26 o  250.343   6.7069  170.875   8.9912  162.342   13.458  177.754   12.083  244.596   10.182  256.090   8.7319 -11.49330 13.41373 
1 1 1  -21   15   27 o  265.374   9.7076  192.786   13.609  187.365   21.484  196.419   17.588  261.999   15.175  268.750   12.111 -6.751404 19.41519 
1 1 1  -21   15   28 o   98.766   17.558   21.823   9.9845   51.419   17.393   7.2770   12.194  133.981   24.942   63.551   24.718 70.42976 35.11560 
1 1 1  -21   15   29 o  551.350   9.3623  820.779   26.352  804.365   32.203  854.054   45.850  543.892   10.957  558.807   15.184 -14.91522 18.72457 
1 1 1  -21   15   30 o   90.064   13.964   22.580   6.5893   29.587   10.195   17.553   8.6355  101.939   19.212   78.188   20.270 23.75107 27.92837 
1 1 1  -21   15   31 o  381.462   6.3975  395.553   13.171  387.186   18.976  403.330   18.296  377.510   9.3023  385.415   8.7850 -7.904724 12.79491 
1 1 1  -21   15   32 o  221.357   6.7696  133.682   8.0612  126.413   11.765  140.114   11.067  215.590   10.099  227.124   9.0173 -11.53445 13.53913 
1 1 1  -21   15   33 f  217.597   6.6689  126.950   7.7440  139.826   12.144  118.125   10.053  226.695   9.9135  208.500   8.9231 18.19432 13.33787 
1 1 1  -21   15   34 o  169.893   7.7406   78.192   7.0287   82.375   10.882   75.198   9.2068  173.664   11.596  166.122   10.256 7.541962 15.48118 
1 1 1  -21   15   35 o  164.285   7.9639   74.534   6.8671   70.303   10.936   77.287   8.8233  160.154   12.637  168.416   9.6953 -8.261826 15.92777 
1 1 1  -21   15   36 o  166.517   7.7908   75.371   6.9103   78.244   10.802   73.380   8.9907  169.042   11.826  163.991   10.146 5.050995 15.58152 
1 1 1  -21   15   37 o  162.939   7.8494   74.432   6.7259   62.205   10.203   83.828   8.9445  150.531   12.543  175.347   9.4400 -24.81607 15.69878 
1 1 1  -21   15   38 o   75.568   14.416   16.493   5.8869   17.451   9.6261   15.920   7.4405   77.206   22.004   73.929   18.632 3.277016 28.83279 
1 1 1  -21   15   39 o  124.603   9.5048   42.759   6.3040   43.876   9.8496   41.984   8.2045  125.746   14.496  123.460   12.298 2.285957 19.00959 
1 1 1  -21   15   40 o  168.194   7.8016   77.311   7.0204   80.555   10.800   74.938   9.2384  171.064   11.684  165.324   10.341 5.739594 15.60310 
1 1 1  -21   15   41 o  245.655   6.3850  165.092   8.3472  164.454   12.964  165.544   10.910  244.994   9.7925  246.316   8.1964 -1.322861 12.77002 
1 1 1  -21   15   42 o  103.549   12.521   33.443   6.3603   21.590   9.9793   41.552   8.2539   84.627   21.715  122.470   12.472 -37.84227 25.04158 
1 1 1  -21   15   43 o  172.839   7.7344   83.144   7.1303   77.629   10.767   87.451   9.5158  167.351   11.906  178.327   9.8751 -10.97618 15.46873 
1 1 1  -21   15   44 o  305.790   6.1202  255.959   10.067  259.669   15.013  252.928   13.570  307.607   9.0321  303.973   8.2613 3.634766 12.24042 
1 1 1  -21   15   45 o  134.848   9.5467   53.072   6.6568   39.499   9.9904   63.910   8.9273  117.822   15.692  151.874   10.878 -34.05152 19.09342 
1 1 1  -21   15   46 o   76.695   12.963   19.297   6.0554   4.8406   9.7633   28.334   7.7195   53.244   21.649  100.145   14.265 -46.90031 25.92637 
1 1 1  -21   15   47 o   44.304   13.587   0.2926   5.8670   0.6280   9.5054   0.0861   7.4570   47.033   20.350   41.575   18.007 5.458771 27.17310 
1 1 1  -21   15   48 o  129.733   9.8057   48.932   6.5861   43.069   10.553   52.673   8.4290  122.176   15.985  137.290   11.362 -15.11420 19.61146 
1 1 1  -21   15   49 o  140.879   9.3287   59.140   6.7032   43.149   10.294   70.911   8.8322  122.154   15.596  159.604   10.241 -37.45013 18.65745 
1 1 1  -21   15   50 o  104.604   11.859   31.416   6.6127   35.943   10.445   28.389   8.5425  110.404   17.508   98.804   16.000 11.60023 23.71804 
1 1 1  -21   15   51 f  115.985   10.801   38.351   6.7094   44.775   10.344   33.685   8.8156  124.148   15.419  107.821   15.131 16.32749 21.60258 
1 1 1  -21   15   52 o   55.057   15.172   7.3959   6.7138   2.8083   10.310   10.774   8.8469   50.011   21.410   60.104   21.502 -10.09272 30.34381 
1 1 1  -21   15   53 o   44.215   13.827  -0.6409   6.6917  -6.3925   10.476   3.3227   8.6970   40.977   19.139   47.453   19.961 -6.475075 27.65409 
1 1 1  -21   15   54 o  196.932   7.9135  109.397   8.3213  118.745   12.984  102.882   10.840  203.392   11.814  190.472   10.532 12.92047 15.82708 
1 1 1  -21   15   56 o   39.148   13.668 -24.2438   10.593 -38.9640   17.359 -15.5113   13.370   38.074   19.123   40.222   19.535 -2.148708 27.33682 
1 1 1  -21   15   57 o   84.237   17.641   28.213   8.7170   22.080   11.718   35.811   13.043   73.535   24.837   94.938   25.058 -21.40280 35.28180 
1 1 1  -21   15   58 f   89.478   18.512   33.466   10.548   19.430   15.688   45.045   14.249   69.051   27.666  109.906   24.606 -40.85469 37.02489 
1 1 1  -21   15   59 o   50.504   16.232   4.2932   9.6803   1.5412   15.078   6.2230   12.626   49.669   23.119   51.340   22.791 -1.670235 32.46438 
1 1 1  -21   16    1 o  314.914   8.9091  268.328   15.160   0.0000   0.0000  268.328   15.160  ?   ?   314.914   8.9091      ?      ? 
1 1 1  -21   16    2 o  169.335   8.1416   77.286   7.4281   82.505   11.032   72.959   10.047  174.532   11.698  164.137   11.327 10.39467 16.28312 
1 1 1  -21   16    3 o  446.682   6.8857  539.253   16.607  512.810   23.030  567.902   23.971  435.285   9.7911  458.078   9.6842 -22.79358 13.77132 
1 1 1  -21   16    4 o  145.943   9.4095   57.686   7.4070   58.457   10.839   57.011   10.146  146.845   13.660  145.042   12.945 1.803101 18.81904 
1 1 1  -21   16    6 o  663.359   8.7417  1190.01   31.303  1144.34   43.080  1241.08   45.561  649.916   12.267  676.803   12.458 -26.88733 17.48350 
1 1 1  -21   16    7 o  440.797   6.9116  525.322   16.452  499.792   22.883  552.638   23.670  429.716   9.8547  451.877   9.6936 -22.16058 13.82319 
1 1 1  -21   16    8 o  406.469   8.7039  445.849   17.266  451.802   32.416  443.491   20.401  408.115   14.699  404.823   9.3262 3.291779 17.40786 
1 1 1  -21   16    9 o  626.719   10.476  1075.82   33.409  1034.69   57.392  1096.91   41.088  617.120   17.210  636.319   11.950 -19.19879 20.95212 
1 1 1  -21   16   10 f  377.199   8.3345  382.524   16.003  376.863   19.515  394.144   27.959  373.137   9.6788  381.261   13.571 -8.124451 16.66898 
1 1 1  -21   16   11 o  323.507   9.4802  283.283   16.573  283.283   16.573   0.0000   0.0000  323.507   9.4802  ?   ?       ?      ? 
1 1 1  -21   16   12 o  394.672   6.6893  421.816   14.259  406.846   20.172  436.768   20.159  387.656   9.6295  401.687   9.2875 -14.03104 13.37856 
1 1 1  -21   16   13 o  291.825   6.4173  230.684   10.112  225.381   14.467  235.749   14.140  288.531   9.2792  295.119   8.8670 -6.587830 12.83457 
1 1 1  -21   16   14 o   54.028   15.316   3.7364   6.8361   2.0478   9.7673   5.3578   9.5711   51.825   21.426   56.232   21.892 -4.407131 30.63173 
1 1 1  -21   16   15 o  294.603   8.9884  234.984   14.309   0.0000   0.0000  234.984   14.309  ?   ?   294.603   8.9884      ?      ? 
1 1 1  -21   16   16 o  547.688   7.6682  813.040   22.692  802.366   32.144  823.644   32.039  544.091   10.933  551.286   10.755 -7.195313 15.33638 
1 1 1  -21   16   17 f  216.714   7.2025  127.407   8.4165  124.516   12.229  130.010   11.601  214.352   10.558  219.076   9.7999 -4.723740 14.40499 
1 1 1  -21   16   18 o   52.135   15.292  -1.9976   7.3208  -8.5860   9.3168   8.6351   11.836   38.981   18.154   65.288   24.613 -26.30766 30.58363 
1 1 1  -21   16   19 f  256.337   9.0068  178.331   12.469  179.685   17.962  177.072   17.323  257.258   12.921  255.416   12.551 1.842041 18.01368 
1 1 1  -21   16   20 o  243.997   8.9921  161.563   11.823  178.446   16.987  145.698   16.466  256.397   12.260  231.598   13.157 24.79958 17.98430 
1 1 1  -21   16   21 o  283.366   8.7635  218.155   13.414  213.423   19.089  222.770   18.853  280.305   12.603  286.428   12.181 -6.122498 17.52705 
1 1 1  -21   16   22 o  254.315   9.1347  175.793   12.552  179.617   17.873  172.072   17.631  257.050   12.867  251.581   12.969 5.468994 18.26931 
1 1 1  -21   16   23 o  136.161   11.468   49.210   8.0675   55.383   13.911   46.082   9.9030  142.241   18.098  130.081   14.088 12.15950 22.93538 
1 1 1  -21   16   24 o  246.494   6.8257  162.392   9.0089  182.905   13.937  147.669   11.807  259.640   9.9336  233.348   9.3640 26.29167 13.65144 
1 1 1  -21   16   25 o  209.841   9.5348  111.777   9.7013  138.784   19.221  102.545   11.238  225.370   15.783  194.312   10.703 31.05762 19.06955 
1 1 1  -21   16   26 o  162.544   12.648   73.332   10.627   69.505   17.569   75.541   13.346  158.772   20.477  166.316   14.850 -7.544098 25.29530 
1 1 1  -21   16   27 o  206.014   10.755  116.519   11.579  114.414   18.853  117.793   14.672  204.182   17.087  207.846   13.064 -3.663162 21.50910 
1 1 1  -21   16   28 o  229.712   7.0231  143.207   8.6696  145.443   13.005  141.419   11.631  231.256   10.407  228.168   9.4335 3.088058 14.04629 
1 1 1  -21   16   29 o  244.612   6.7489  163.276   8.8192  157.907   13.404  167.374   11.711  240.935   10.296  248.288   8.7286 -7.353043 13.49783 
1 1 1  -21   16   30 o  322.317   6.3800  282.111   11.069  282.806   16.396  281.529   15.006  322.609   9.4052  322.026   8.6233 0.5831299 12.76003 
1 1 1  -21   16   31 o  231.074   6.7397  145.529   8.3645  141.825   12.447  148.580   11.295  228.299   10.090  233.850   8.9385 -5.551346 13.47941 
1 1 1  -21   16   32 o  256.745   6.4184  179.651   8.8730  173.907   12.986  184.682   12.152  252.807   9.5061  260.684   8.6266 -7.876465 12.83688 
1 1 1  -21   16   33 o   54.535   14.660   6.0203   6.0767   2.2549   9.5459   8.5857   7.8793   50.861   21.117   58.210   20.342 -7.348618 29.32063 
1 1 1  -21   16   34 o   94.728   13.325   25.923   6.5113   25.368   10.008   26.330   8.5739   93.396   20.402   96.060   17.147 -2.664307 26.65032 
1 1 1  -21   16   35 o   88.806   13.321   23.165   6.2164   18.718   9.6285   26.344   8.1403   80.018   21.714   97.593   15.436 -17.57515 26.64153 
1 1 1  -21   16   36 o  192.333   7.1744   99.151   7.3619  112.950   11.588   89.814   9.5326  203.257   10.551  181.409   9.7244 21.84807 14.34871 
1 1 1  -21   16   37 o  241.180   6.4205  159.012   8.2761  156.715   12.622  160.745   10.961  239.465   9.7543  242.894   8.3513 -3.428619 12.84102 
1 1 1  -21   16   38 f  247.023   6.4629  167.277   8.5327  162.658   12.962  170.809   11.335  243.786   9.8398  250.260   8.3818 -6.474045 12.92574 
1 1 1  -21   16   39 o  185.332   7.4513   95.827   7.3119   84.452   11.091  104.572   9.7242  175.100   11.722  195.563   9.2019 -20.46306 14.90262 
1 1 1  -21   16   40 o  180.021   7.5035   89.544   7.1692   86.311   11.127   91.838   9.3745  176.920   11.639  183.122   9.4738 -6.201447 15.00708 
1 1 1  -21   16   41 o  177.067   7.4632   87.030   6.9792   82.740   10.946   89.969   9.0594  172.977   11.711  181.157   9.2546 -8.180420 14.92632 
1 1 1  -21   16   42 o  147.590   8.3759   60.346   6.5491   60.593   10.331   60.180   8.4681  147.472   12.964  147.708   10.609 -0.2361908 16.75176 
1 1 1  -21   16   43 o  150.922   8.4699   62.649   6.8587   68.651   10.485   58.159   9.0682  157.044   12.355  144.801   11.589 12.24231 16.93986 
1 1 1  -21   16   44 o  106.131   11.595   31.285   6.2934   44.851   9.9520   22.245   8.1241  125.914   14.627   86.349   17.995 39.56532 23.18971 
1 1 1  -21   16   45 o   51.484   14.404   4.9886   5.8354   7.1765   9.3051   3.5705   7.4916   56.008   21.646   46.961   19.011 9.046734 28.80897 
1 1 1  -21   16   46 o   70.478   14.464   13.146   6.2026   24.932   9.9917   5.7559   7.9117   89.728   20.982   51.228   19.915 38.49937 28.92839 
1 1 1  -21   16   47 o   51.378   14.509   5.0179   5.9450   7.1133   9.5955   3.7124   7.5737   55.762   21.861   46.994   19.083 8.768208 29.01829 
1 1 1  -21   16   48 o  129.926   9.6293   48.990   6.5738   43.126   10.151   53.226   8.6271  122.180   15.376  137.671   11.597 -15.49078 19.25859 
1 1 1  -21   16   49 o   52.417   14.625   5.8871   6.2555   1.8859   9.7232   8.7128   8.1711   48.443   20.767   56.392   20.597 -7.948467 29.24913 
1 1 1  -21   16   50 o  116.267   10.712   37.835   6.6048   49.307   10.483   30.284   8.5052  130.514   14.865  102.021   15.428 28.49284 21.42365 
1 1 1  -21   16   51 o   96.893   13.450   30.362   6.6451   23.215   10.549   35.064   8.5560   83.801   22.723  109.985   14.396 -26.18394 26.89994 
1 1 1  -21   16   52 o  153.034   8.9562   66.278   7.3034   73.512   11.519   61.414   9.4445  159.382   13.375  146.686   11.915 12.69594 17.91239 
1 1 1  -21   16   53 o   42.650   14.655 -10.8077   7.7494  -4.2320   17.464 -12.4198   8.6473   53.196   24.801   32.105   15.620 21.09049 29.30975 
1 1 1  -21   16   55 o   37.472   13.298 -32.3349   10.538 -21.0653   16.900 -39.5045   13.480   43.438   21.284   31.507   15.949 11.93127 26.59661 
1 1 1  -21   16   56 o  205.546   10.144  124.933   11.013  106.614   13.896  155.878   18.061  187.102   13.744  223.990   14.922 -36.88777 20.28723 
1 1 1  -21   16   57 o   69.008   19.008   18.564   10.027   22.613   15.949   15.919   12.893   72.829   28.285   65.186   25.400 7.642723 38.01580 
1 1 1  -21   16   58 o  109.566   18.550   49.982   10.818   49.527   16.049   50.360   14.646  106.533   27.642  112.599   24.746 -6.066032 37.10017 
1 1 1  -21   17    1 o  106.187   12.481   31.258   6.9197   37.500   9.9610   25.436   9.6197  117.467   15.693   94.907   19.412 22.55933 24.96184 
1 1 1  -21   17    2 f  229.684   7.0297  142.011   8.6885  152.039   13.030  133.983   11.658  236.928   10.178  222.440   9.6993 14.48810 14.05931 
1 1 1  -21   17    3 o  687.851   8.9936  1282.99   33.425  1261.50   46.902  1305.18   47.647  681.996   12.727  693.705   12.711 -11.70898 17.98723 
1 1 1  -21   17    5 o  240.832   6.8957  157.635   8.9412  146.390   12.873  168.115   12.428  232.476   10.248  249.188   9.2296 -16.71251 13.79133 
1 1 1  -21   17    6 o   91.951   14.040   23.901   6.7661   24.838   9.8289   23.057   9.3280   93.670   20.025   90.231   19.685 3.438431 28.08053 
1 1 1  -21   17    7 f  703.509   9.1442  1342.75   34.761  1328.69   49.036  1356.96   49.283  699.798   12.967  707.221   12.896 -7.423096 18.28837 
1 1 1  -21   17    8 o  284.793   6.7103  220.094   10.305  206.670   14.718  233.002   14.432  276.232   9.8603  293.355   9.1042 -17.12366 13.42063 
1 1 1  -21   17    9 o  165.171   12.281   63.339   9.3733   96.869   20.753   54.746   10.506  188.338   20.392  142.003   13.691 46.33586 24.56202 
1 1 1  -21   17   10 o  313.894   9.0195  266.777   15.299   0.0000   0.0000  266.777   15.299  ?   ?   313.894   9.0195      ?      ? 
1 1 1  -21   17   11 o  441.642   14.003  529.730   33.418   0.0000   0.0000  529.730   33.418  ?   ?   441.642   14.003      ?      ? 
1 1 1  -21   17   12 o  282.198   6.8778  215.284   10.475  230.721   15.166  201.204   14.485  291.860   9.6165  272.536   9.8355 19.32385 13.75554 
1 1 1  -21   17   13 o  285.969   6.7895  221.074   10.472  228.316   15.376  214.809   14.302  290.312   9.8013  281.625   9.3982 8.687988 13.57906 
1 1 1  -21   17   15 o  151.281   17.519   62.387   14.321   0.0000   0.0000   62.387   14.321  ?   ?   151.281   17.519      ?      ? 
1 1 1  -21   17   16 o  231.313   9.2582  145.284   11.571  143.086   16.209  147.568   16.522  229.532   13.069  233.094   13.117 -3.562714 18.51634 
1 1 1  -21   17   17 o  364.620   8.8873  361.023   17.509  361.937   24.942  360.135   24.584  365.064   12.644  364.176   12.493 0.8876038 17.77452 
1 1 1  -21   17   18 o  198.377   9.7986  107.223   10.479  110.315   14.463  103.806   15.203  201.446   13.286  195.307   14.406 6.138138 19.59719 
1 1 1  -21   17   19 o   98.106   17.177   27.313   9.0585   31.802   13.467   23.604   12.242  105.312   24.176   90.899   24.408 14.41291 34.35427 
1 1 1  -21   17   20 o  282.618   7.6586  215.896   11.074  219.685   19.089  213.973   13.596  284.269   12.427  280.966   8.9551 3.303406 15.31721 
1 1 1  -21   17   21 o  232.485   7.0970  147.201   8.8711  140.158   13.025  153.294   12.115  227.221   10.609  237.749   9.4302 -10.52774 14.19404 
1 1 1  -21   17   22 o  365.803   6.5364  363.381   12.892  355.031   18.739  370.885   17.765  361.756   9.5859  369.851   8.8887 -8.094910 13.07285 
1 1 1  -21   17   23 o  464.152   7.0655  584.255   17.709  555.453   24.655  614.951   25.453  452.325   10.087  475.978   9.8961 -23.65256 14.13102 
1 1 1  -21   17   24 o  208.951   11.513  116.258   12.803  139.977   20.369  100.766   16.461  226.014   16.678  191.888   15.876 34.12558 23.02571 
1 1 1  -21   17   25 o  169.168   12.743   79.001   11.025   77.905   18.842   79.572   13.596  167.769   20.784  170.566   14.751 -2.797882 25.48638 
1 1 1  -21   17   26 f  192.392   11.465  101.682   11.554  101.487   18.781  101.802   14.656  191.858   18.115  192.926   14.058 -1.068100 22.93016 
1 1 1  -21   17   27 o  137.230   9.6210   51.045   7.0467   54.218   10.985   48.825   9.1858  140.721   14.446  133.738   12.711 6.982834 19.24198 
1 1 1  -21   17   28 o  467.222   7.0440  593.961   17.773  574.717   25.265  612.815   25.007  459.661   10.172  474.782   9.7472 -15.12088 14.08791 
1 1 1  -21   17   29 o  428.614   6.8095  499.059   15.722  506.379   23.241  492.883   21.348  431.408   9.9697  425.819   9.2779 5.588776 13.61891 
1 1 1  -21   17   30 o  222.515   9.3538  134.697   11.247   0.0000   0.0000  134.697   11.247  ?   ?   222.515   9.3538      ?      ? 
1 1 1  -21   17   31 o  276.173   6.5027  208.235   9.6716  191.311   13.807  224.541   13.552  265.021   9.6410  287.326   8.7287 -22.30502 13.00536 
1 1 1  -21   17   32 o  199.990   7.2382  109.927   7.7528  101.565   11.476  116.946   10.515  192.788   11.016  207.191   9.3917 -14.40298 14.47637 
1 1 1  -21   17   33 o  134.818   9.2048   48.586   6.6117   61.077   10.323   39.896   8.6096  149.152   12.808  120.483   13.224 28.66808 18.40969 
1 1 1  -21   17   34 o  242.900   6.5252  161.389   8.5223  154.157   12.520  167.634   11.634  237.687   9.7477  248.113   8.6773 -10.42574 13.05040 
1 1 1  -21   17   35 o  120.142   10.116   38.657   6.4586   47.716   10.324   32.832   8.2787  131.291   14.552  108.993   14.056 22.29810 20.23205 
1 1 1  -21   17   36 o   93.221   12.978   24.848   6.1804   27.297   9.9500   23.309   7.8862   96.529   19.741   89.913   16.851 6.616600 25.95509 
1 1 1  -21   17   37 o   67.610   15.150   12.816   6.0214   14.215   10.087   12.041   7.5054   70.556   23.021   64.664   19.702 5.891747 30.30053 
1 1 1  -21   17   38 o  191.322   7.1372  100.816   7.2606   97.779   11.224  103.002   9.5206  188.564   11.016  194.080   9.0781 -5.516159 14.27448 
1 1 1  -21   17   39 o  117.566   10.376   37.892   6.5090   43.427   10.242   34.142   8.4304  124.477   15.227  110.655   14.099 13.82198 20.75189 
1 1 1  -21   17   40 o  169.016   7.9753   79.529   7.1965   74.623   10.847   83.387   9.6183  163.988   12.240  174.043   10.227 -10.05521 15.95063 
1 1 1  -21   17   41 o  136.954   8.6941   51.078   6.3615   59.472   9.9498   45.274   8.2733  146.186   12.596  127.723   11.987 18.46311 17.38818 
1 1 1  -21   17   42 f   67.252   14.889   13.276   5.9552   15.001   9.2146   12.038   7.8039   70.562   21.888   63.943   20.191 6.618729 29.77879 
1 1 1  -21   17   43 o   70.068   14.830   14.302   6.0558   19.057   9.4173   10.949   7.9075   78.635   21.531   61.502   20.398 17.13328 29.65957 
1 1 1  -21   17   44 o   55.482   14.135   4.5487   6.1045   16.070   9.4863  -3.5941   7.9751   72.348   22.170   38.616   17.542 33.73193 28.27100 
1 1 1  -21   17   45 o   49.811   14.201   2.7679   6.0523   9.4282   9.4138  -1.9247   7.9017   59.496   22.044   40.125   17.907 19.37166 28.40131 
1 1 1  -21   17   46 o   56.069   14.717   6.5913   6.1460   13.989   9.6405   1.5259   7.9773   67.598   22.528   44.540   18.945 23.05746 29.43464 
1 1 1  -21   17   47 o   48.389   14.359   3.0282   6.2995   1.6969   9.8408   3.9526   8.1997   48.436   20.832   48.342   19.769 0.9463501E-01 28.71865 
1 1 1  -21   17   48 o   93.541   13.711   25.961   6.8123   34.838   10.491   19.490   8.9574  108.499   17.895   78.583   20.777 29.91643 27.42109 
1 1 1  -21   17   49 o  114.680   11.252   38.623   6.8416   37.987   10.667   39.069   8.9173  112.953   17.477  116.408   14.176 -3.454613 22.50334 
1 1 1  -21   17   50 o   60.112   15.010   10.495   6.5262   3.7913   9.9330   15.586   8.6569   50.586   21.308   69.639   21.146 -19.05332 30.01999 
1 1 1  -21   17   51 o   90.935   14.870   26.389   7.1905   35.596   11.098   19.728   9.4402  105.119   20.272   76.750   21.762 28.36858 29.74092 
1 1 1  -21   17   52 o   93.060   18.157   28.744   8.3579   37.320   17.520   26.217   9.5096   96.531   30.221   89.589   20.134 6.942535 36.31337 
1 1 1  -21   17   54 o   46.860   15.828 -10.9840   10.442   0.0876   17.631 -16.9662   12.960   55.157   25.438   38.563   18.841 16.59331 31.65513 
1 1 1  -21   17   55 o  171.119   12.243   94.279   11.259  100.698   16.995   89.257   15.032  175.217   17.949  167.021   16.655 8.195633 24.48645 
1 1 1  -21   17   56 o   58.575   17.137   8.9627   9.6640  -2.7703   14.207   19.068   13.184   47.831   22.323   69.319   26.008 -21.48829 34.27420 
1 1 1  -21   17   57 o   86.641   18.953   34.606   10.199   28.041   15.794   39.302   13.357   75.173   28.410   98.109   25.094 -22.93616 37.90584 
1 1 1  -21   18    1 o  602.493   11.584  984.435   37.715   0.0000   0.0000  984.435   37.715  ?   ?   602.493   11.584      ?      ? 
1 1 1  -21   18    2 o  162.917   8.8457   71.870   7.7789   75.752   11.316   68.392   10.711  167.077   12.533  158.757   12.486 8.320953 17.69140 
1 1 1  -21   18    3 o   95.712   13.562   25.788   6.8920   14.804   9.5002   37.992   10.014   73.246   22.132  118.177   15.681 -44.93053 27.12413 
1 1 1  -21   18    4 o  572.281   7.9808  888.146   24.676  874.777   35.008  901.348   34.788  567.978   11.406  576.584   11.166 -8.605225 15.96165 
1 1 1  -21   18    5 o  182.270   8.1731   89.942   8.0429   94.219   11.667   86.068   11.103  186.391   11.584  178.149   11.533 8.241669 16.34624 
1 1 1  -21   18    6 o  219.449   7.2128  130.581   8.5462  127.955   12.259  133.064   11.921  217.286   10.441  221.612   9.9545 -4.326431 14.42569 
1 1 1  -21   18    7 o  465.762   7.1447  587.859   17.975  586.635   25.757  589.022   25.098  465.270   10.245  466.254   9.9617 -0.9836426 14.28943 
1 1 1  -21   18    8 o  428.279   6.9566  497.193   16.091  487.567   22.980  506.453   22.540  424.187   10.025  432.371   9.6473 -8.183685 13.91322 
1 1 1  -21   18    9 o  393.714   6.7747  420.176   14.400  398.875   20.345  441.559   20.384  383.684   9.8127  403.744   9.3432 -20.06061 13.54933 
1 1 1  -21   18   10 o  368.380   9.1558  386.419   16.601  322.748   29.091  417.168   20.216  344.356   15.634  392.403   9.5342 -48.04681 18.31164 
1 1 1  -21   18   11 o  235.351   8.6424  151.470   10.796  156.844   14.151  143.986   16.698  240.495   10.889  230.207   13.423 10.28807 17.28475 
1 1 1  -21   18   12 o  436.900   13.323  518.694   31.453  518.694   31.453   0.0000   0.0000  436.900   13.323  ?   ?       ?      ? 
1 1 1  -21   18   13 o  492.876   10.038  660.261   26.713  647.072   36.906  674.775   38.715  487.756   14.003  497.996   14.387 -10.23969 20.07630 
1 1 1  -21   18   14 o  151.864   11.830   62.946   9.6949   63.063   13.372   62.815   14.077  152.054   16.274  151.673   17.175 0.3804779 23.66092 
1 1 1  -21   18   15 o  315.535   8.8680  270.578   15.120  268.018   21.260  273.198   21.507  314.026   12.529  317.043   12.554 -3.016388 17.73607 
1 1 1  -21   18   16 o   60.647   15.450  -5.3201   9.0162   21.070   12.800 -31.3063   12.702   86.468   25.592   34.825   17.315 51.64349 30.89916 
1 1 1  -21   18   17 o  128.138   13.221   39.993   8.1831   77.387   14.385   22.104   9.9497  168.367   15.812   87.909   21.193 80.45731 26.44151 
1 1 1  -21   18   18 o  185.575   12.337   93.661   12.371   93.661   12.371   0.0000   0.0000  185.575   12.337  ?   ?       ?      ? 
1 1 1  -21   18   19 o   55.860   15.546   5.1017   6.8481   4.6479   10.402   5.4488   9.0977   56.561   22.574   55.159   21.379 1.402309 31.09138 
1 1 1  -21   18   20 o  352.971   6.5669  338.175   12.513  320.467   17.664  356.012   17.729  343.656   9.5123  362.286   9.0560 -18.63022 13.13371 
1 1 1  -21   18   21 o  165.885   8.8078   74.277   7.8088   79.270   12.119   70.733   10.211  170.534   13.151  161.235   11.720 9.298553 17.61567 
1 1 1  -21   18   22 o  246.022   9.5332  160.248   10.875  174.955   22.480  155.754   12.426  252.561   16.472  239.483   9.6023 13.07805 19.06642 
1 1 1  -21   18   23 o  153.392   16.403   72.683   11.925   48.986   19.605   86.599   15.024  129.080   28.834  177.704   15.646 -48.62321 32.80587 
1 1 1  -21   18   24 f  234.864   10.948  154.828   13.447  135.068   21.062  168.423   17.470  221.399   17.605  248.328   13.019 -26.92926 21.89609 
1 1 1  -21   18   25 o  574.799   7.9730  899.875   24.754  902.697   35.539  897.216   34.500  575.612   11.426  573.986   11.123 1.625427 15.94602 
1 1 1  -21   18   26 o   78.281   15.573   17.440   6.8457   19.314   10.206   15.907   9.2301   81.851   22.416   74.711   21.625 7.139969 31.14647 
1 1 1  -21   18   27 o  185.964   7.8047   94.899   7.7725   88.666   11.561  100.040   10.500  180.225   11.871  191.702   10.136 -11.47679 15.60943 
1 1 1  -21   18   28 o   70.114   15.592   13.728   6.5688   13.759   9.7788   13.702   8.8674   70.480   22.639   69.747   21.445 0.7321548 31.18367 
1 1 1  -21   18   29 o  315.195   6.3770  269.286   10.816  281.732   16.185  259.242   14.540  321.675   9.3111  308.716   8.7159 12.95972 12.75397 
1 1 1  -21   18   30 o   96.866   13.297   26.864   6.6555   28.110   10.175   25.933   8.7986   98.586   19.789   95.146   17.767 3.440491 26.59419 
1 1 1  -21   18   31 o  302.170   6.4322  249.514   10.443  240.220   15.446  257.340   14.174  296.822   9.6298  307.518   8.5298 -10.69537 12.86434 
1 1 1  -21   18   32 o  156.018   8.8908   67.950   7.3668   57.921   10.899   76.386   9.9960  144.958   13.914  167.077   11.072 -22.11867 17.78169 
1 1 1  -21   18   33 o  247.946   8.8031  167.578   11.794   0.0000   0.0000  167.578   11.794  ?   ?   247.946   8.8031      ?      ? 
1 1 1  -21   18   34 f  210.670   7.0030  120.462   7.8913  128.018   12.197  115.021   10.349  216.160   10.442  205.179   9.3344 10.98074 14.00606 
1 1 1  -21   18   35 o  128.201   10.112   46.569   6.8472   39.611   10.302   52.075   9.1647  119.002   16.020  137.400   12.344 -18.39822 20.22380 
1 1 1  -21   18   36 o   44.211   13.464  -2.2577   6.0002   4.7731   9.2789  -7.3106   7.8662   53.242   21.296   35.180   16.481 18.06155 26.92830 
1 1 1  -21   18   37 o  189.073   9.3386   97.900   9.5412   0.0000   0.0000   97.900   9.5412  ?   ?   189.073   9.3386      ?      ? 
1 1 1  -21   18   38 o  123.092   9.9393   42.720   6.4814   40.236   10.032   44.500   8.4919  119.541   15.530  126.644   12.409 -7.102669 19.87850 
1 1 1  -21   18   39 o   88.778   13.574   23.529   6.2094   23.184   9.8908   23.753   7.9773   87.460   21.158   90.096   17.009 -2.635147 27.14750 
1 1 1  -21   18   40 o  110.276   12.417   39.553   6.4711   20.892   10.048   52.780   8.4591   82.535   22.092  138.017   11.342 -55.48127 24.83323 
1 1 1  -21   18   41 o   96.333   12.765   28.605   6.2917   20.099   9.5060   35.235   8.3931   80.806   21.423  111.860   13.885 -31.05399 25.52926 
1 1 1  -21   18   42 o  138.129   8.9923   53.018   6.6054   55.745   10.402   51.175   8.5506  140.700   13.682  135.558   11.673 5.141235 17.98470 
1 1 1  -21   18   43 o   70.955   15.118   15.031   6.2079   18.436   9.7529   12.712   8.0491   76.872   22.223   65.038   20.503 11.83398 30.23602 
1 1 1  -21   18   44 f   66.292   15.439   13.207   6.3756   14.407   9.6177   12.267   8.5155   68.579   22.484   64.004   21.165 4.575577 30.87887 
1 1 1  -21   18   45 o   69.951   15.203   15.341   6.2511   14.296   10.027   16.005   7.9947   68.139   22.976   71.764   19.914 -3.625198 30.40505 
1 1 1  -21   18   46 o   52.964   14.787   6.1424   6.3730   1.5980   10.403   8.8723   8.0631   49.369   21.325   56.558   20.490 -7.189419 29.57421 
1 1 1  -21   18   47 o  136.243   9.6777   52.587   6.9488   54.921   11.213   51.132   8.8539  137.913   15.046  134.572   12.176 3.341080 19.35538 
1 1 1  -21   18   48 o  204.332   7.5608  117.191   8.2852  117.770   12.508  116.738   11.059  204.306   11.330  204.358   10.015 -0.5238342E-01 15.12159 
1 1 1  -21   18   49 o  207.020   7.6934  120.895   8.4666  119.537   13.148  121.856   11.066  205.236   11.856  208.803   9.8078 -3.566528 15.38683 
1 1 1  -21   18   50 o   67.228   15.992   15.308   6.9841   12.163   10.720   17.627   9.2058   62.182   23.428   72.275   21.775 -10.09350 31.98470 
1 1 1  -21   18   51 o   40.312   14.003 -21.2516   10.390 -38.2432   18.481 -13.3987   12.564   40.368   20.197   40.257   19.402 0.1108398 28.00617 
1 1 1  -21   18   52 o  374.804   10.936  352.737   20.266  223.739   24.080  665.991   37.525  273.337   16.303  476.271   14.581 -202.9337 21.87209 
1 1 1  -21   18   53 o  119.048   15.348   49.275   9.4337   54.756   12.642   42.387   14.171  131.266   17.823  106.830   24.993 24.43677 30.69660 
1 1 1  -21   18   54 o   47.910   15.593  -0.6752   9.2226   3.7928   13.978  -4.1194   12.273   52.023   23.468   43.797   20.539 8.226707 31.18669 
1 1 1  -21   18   55 o   58.027   17.320   9.8048   9.5656   15.797   13.444   3.6599   13.614   64.337   25.668   51.718   23.261 12.61919 34.63942 
1 1 1  -21   18   56 o   73.035   17.575   22.806   8.1625   22.590   15.084   22.896   9.7064   69.041   27.300   77.028   22.141 -7.987457 35.15034 
1 1 1  -21   19    2 o  263.358   6.9450  187.939   9.8746  177.093   13.803  199.308   14.132  255.564   9.9951  271.152   9.6452 -15.58873 13.89001 
1 1 1  -21   19    3 o  593.575   11.499  956.430   36.883   0.0000   0.0000  956.430   36.883  ?   ?   593.575   11.499      ?      ? 
1 1 1  -21   19    4 o  383.327   6.8698  398.395   14.228  394.804   20.232  401.909   20.012  381.605   9.8117  385.049   9.6182 -3.444550 13.73970 
1 1 1  -21   19    5 o  139.528   17.057   53.153   12.860   0.0000   0.0000   53.153   12.860  ?   ?   139.528   17.057      ?      ? 
1 1 1  -21   19    6 o  139.499   11.686   52.948   8.7737   46.644   12.084   59.977   12.760  130.693   17.110  148.305   15.922 -17.61247 23.37237 
1 1 1  -21   19    7 f  567.170   10.874  876.689   33.322  882.658   47.583  870.946   46.679  569.033   15.475  565.307   15.281 3.725525 21.74798 
1 1 1  -21   19    8 o  229.755   8.8945  143.129   11.005  160.473   15.967  127.432   15.190  243.027   12.159  216.482   12.985 26.54443 17.78892 
1 1 1  -21   19    9 o  219.351   9.1425  130.847   10.836  130.405   15.372  131.284   15.278  218.976   12.991  219.726   12.867 -0.7498932 18.28501 
1 1 1  -21   19   10 o  410.041   9.1966  456.969   20.367  438.288   28.382  476.802   29.244  401.391   13.086  418.690   12.926 -17.29892 18.39316 
1 1 1  -21   19   11 o  132.977   18.155   48.423   13.046   0.0000   0.0000   48.423   13.046  ?   ?   132.977   18.155      ?      ? 
1 1 1  -21   19   12 o  130.581   12.037   45.363   8.3769   56.284   13.142   37.888   10.872  143.466   16.952  117.697   17.095 25.76978 24.07449 
1 1 1  -21   19   13 o  265.115   8.9280  199.463   12.069  221.831   15.314  162.793   19.607  285.930   9.9113  244.300   14.853 41.62990 17.85610 
1 1 1  -21   19   14 o  211.460   7.7462  121.786   8.8272  114.310   12.676  128.825   12.300  205.091   11.438  217.829   10.449 -12.73703 15.49232 
1 1 1  -21   19   15 o  363.489   9.2138  358.379   18.098   0.0000   0.0000  358.379   18.098  ?   ?   363.489   9.2138      ?      ? 
1 1 1  -21   19   16 o  188.101   8.3171   95.799   8.4346  103.732   12.424   89.017   11.487  195.291   11.774  180.911   11.751 14.37955 16.63422 
1 1 1  -21   19   17 o  352.954   6.6774  338.424   12.697  333.847   18.630  342.393   17.350  350.657   9.8320  355.251   9.0379 -4.594421 13.35488 
1 1 1  -21   19   18 o  215.267   7.5459  125.453   8.7404  131.433   13.088  120.640   11.743  219.834   11.018  210.701   10.314 9.133652 15.09185 
1 1 1  -21   19   19 o  484.839   7.3298  639.317   19.196  630.746   27.422  647.552   26.880  481.601   10.537  488.077   10.192 -6.475861 14.65967 
1 1 1  -21   19   20 o  413.571   9.3775  485.847   19.024  420.721   33.871  515.860   22.993  391.484   16.011  435.658   9.7670 -44.17328 18.75498 
1 1 1  -21   19   21 o  423.635   10.225  492.825   23.334  456.757   33.391  527.252   32.622  408.172   15.139  439.099   13.749 -30.92664 20.45032 
1 1 1  -21   19   22 o  392.614   10.051  423.827   21.222  388.964   30.613  456.081   29.445  376.698   15.039  408.530   13.338 -31.83237 20.10207 
1 1 1  -21   19   23 o  151.555   11.410   62.315   9.1724   59.074   11.763   67.342   14.650  146.795   14.830  156.316   17.344 -9.521454 22.81950 
1 1 1  -21   19   24 o  291.141   8.9523  230.335   14.084   0.0000   0.0000  230.335   14.084  ?   ?   291.141   8.9523      ?      ? 
1 1 1  -21   19   25 o   50.705   14.765   2.6118   6.4965   2.0937   9.7883   3.0197   8.6852   51.300   21.348   50.111   20.402 1.188763 29.52937 
1 1 1  -21   19   26 o  140.186   9.5195   54.106   7.1826   51.246   10.451   56.666   9.8884  136.549   14.163  143.824   12.723 -7.275513 19.03899 
1 1 1  -21   19   27 o  249.022   6.8890  169.535   9.2290  162.396   13.530  175.748   12.621  243.985   10.262  254.058   9.1935 -10.07310 13.77794 
1 1 1  -21   19   28 o  198.732   7.5727  109.152   8.0276   97.166   11.909  119.133   10.868  188.405   11.698  209.058   9.6201 -20.65253 15.14538 
1 1 1  -21   19   29 o  130.101   9.8506   45.555   6.8385   56.781   10.564   37.457   8.9722  143.640   13.610  116.562   14.245 27.07762 19.70113 
1 1 1  -21   19   30 o  288.029   6.6225  225.298   10.232  233.773   15.552  218.828   13.587  292.649   9.8344  283.409   8.8722 9.240540 13.24501 
1 1 1  -21   19   31 o  158.936   8.5349   69.395   7.3277   71.896   10.450   66.974   10.278  161.779   11.954  156.093   12.186 5.686264 17.06981 
1 1 1  -21   19   32 o   53.484   14.738   4.9120   6.3893   0.0336   9.4264   9.0580   8.6900   47.273   20.360   59.695   21.316 -12.42219 29.47692 
1 1 1  -21   19   33 o  137.630   9.3429   52.767   6.8886   48.856   10.183   56.067   9.3536  132.643   14.207  142.616   12.137 -9.973038 18.68579 
1 1 1  -21   19   34 o  110.869   12.044   36.726   6.6640   27.066   10.179   43.972   8.8158   95.680   20.316  126.058   12.942 -30.37791 24.08810 
1 1 1  -21   19   35 o   64.092   15.367   10.582   6.4191   15.869   9.8971   6.7438   8.4336   73.362   22.672   54.821   20.750 18.54140 30.73423 
1 1 1  -21   19   36 o   75.136   13.330   16.757   6.2060   5.2581   9.1763   26.450   8.4250   53.465   21.245   96.807   16.105 -43.34260 26.65968 
1 1 1  -21   19   37 o   84.848   14.604   21.718   6.5472   21.654   10.318   21.762   8.4710   84.193   22.319   85.504   18.842 -1.311188 29.20855 
1 1 1  -21   19   38 o   40.277   12.962  -4.3003   6.0559  -2.6526   9.5752  -5.3988   7.8182   43.989   19.667   36.565   16.890 7.423878 25.92384 
1 1 1  -21   19   39 o  155.839   8.7086   69.945   7.0781   54.168   10.590   82.684   9.5159  138.653   14.134  173.025   10.178 -34.37160 17.41726 
1 1 1  -21   19   40 o  199.486   7.3144  110.027   7.7643  110.423   12.078  109.748   10.136  199.385   11.210  199.586   9.3984 -0.2007599 14.62879 
1 1 1  -21   19   41 o  145.529   9.3305   59.895   7.2507   57.074   10.965   62.087   9.6653  141.971   14.293  149.088   11.997 -7.116867 18.66104 
1 1 1  -21   19   42 o   82.248   13.933   19.340   6.3458   32.399   10.046   10.669   8.1860  103.805   18.592   60.692   20.758 43.11294 27.86637 
1 1 1  -21   19   43 o  120.247   11.082   42.991   6.8812   35.953   10.858   47.716   8.8955  110.436   18.195  130.058   12.657 -19.62197 22.16485 
1 1 1  -21   19   44 o   64.982   15.626   12.878   6.7428   8.6652   10.360   15.974   8.8811   58.740   22.802   71.223   21.372 -12.48238 31.25167 
1 1 1  -21   19   45 o  109.895   12.478   37.082   6.9558   29.768   10.551   42.704   9.2503   97.579   20.655  122.211   14.008 -24.63123 24.95642 
1 1 1  -21   19   46 o   74.437   15.342   18.412   6.7664   12.505   10.941   22.071   8.6105   64.813   23.809   84.061   19.356 -19.24864 30.68440 
1 1 1  -21   19   47 o  123.502   10.736   44.416   7.0188   45.211   11.104   43.887   9.0580  123.489   16.640  123.514   13.571 -0.2565765E-01 21.47269 
1 1 1  -21   19   48 o   57.537   23.071   8.2864   10.920   8.2864   10.920   0.0000   0.0000   57.537   23.071  ?   ?       ?      ? 
1 1 1  -21   19   49 o  174.873   8.7663   87.428   8.2267   96.146   12.564   80.885   10.884  182.081   12.770  167.666   12.014 14.41486 17.53267 
1 1 1  -21   19   50 o   39.431   13.849 -25.8275   10.317 -20.6374   17.253 -28.7162   12.871   44.838   21.870   34.023   16.997 10.81526 27.69803 
1 1 1  -21   19   51 o   46.387   22.608 -20.6284   18.345 -20.6284   18.345   0.0000   0.0000   46.387   22.608  ?   ?       ?      ? 
1 1 1  -21   19   52 o   57.545   23.295   11.014   11.249   11.014   11.249   0.0000   0.0000   57.545   23.295  ?   ?       ?      ? 
1 1 1  -21   19   53 o   48.697   15.855  -0.9687   9.6804  -4.5315   13.628   2.6599   13.753   45.932   21.574   51.462   23.241 -5.529518 31.71042 
1 1 1  -21   19   54 o   45.353   15.080  -3.5749   9.2841  -1.3318   14.477  -5.1419   12.100   48.220   22.514   42.487   20.070 5.732761 30.16097 
1 1 1  -21   20    1 o  253.695   8.4714  173.724   11.567  155.045   15.653  196.194   17.167  238.762   12.132  268.627   11.827 -29.86514 16.94284 
1 1 1  -21   20    2 o  426.414   9.1097  494.946   20.989  496.396   29.544  493.468   29.825  427.065   12.802  425.764   12.963 1.300751 18.21948 
1 1 1  -21   20    3 o  382.915   8.7343  398.893   18.071  402.477   25.487  395.270   25.627  384.664   12.262  381.166   12.442 3.497467 17.46861 
1 1 1  -21   20    4 o  115.149   13.927   37.669   8.3176   44.279   11.504   30.428   12.041  127.219   16.734  103.080   22.267 24.13906 27.85413 
1 1 1  -21   20    5 o  140.625   11.529   54.366   8.7110   58.468   12.029   49.842   12.632  146.342   15.211  134.908   17.327 11.43382 23.05706 
1 1 1  -21   20    6 o  470.515   8.5769  592.732   20.588  630.631   36.061  574.406   25.077  481.014   13.874  460.017   10.088 20.99765 17.15375 
1 1 1  -21   20    7 o  281.199   12.204  215.113   18.544  215.113   18.544   0.0000   0.0000  281.199   12.204  ?   ?       ?      ? 
1 1 1  -21   20    8 o  495.290   10.316  666.099   27.610   0.0000   0.0000  666.099   27.610  ?   ?   495.290   10.316      ?      ? 
1 1 1  -21   20    9 o  310.778   6.8474  262.520   11.475  254.830   16.628  269.512   15.856  306.374   10.044  315.183   9.3097 -8.808655 13.69482 
1 1 1  -21   20   10 o  309.959   9.1352  260.638   15.301   0.0000   0.0000  260.638   15.301  ?   ?   309.959   9.1352      ?      ? 
1 1 1  -21   20   11 o  201.925   7.8225  111.967   8.4438  100.263   12.448  121.942   11.492  191.941   12.002  211.908   10.036 -19.96669 15.64496 
1 1 1  -21   20   12 o  238.682   11.033  156.322   11.352  155.135   25.351  156.620   12.696  237.200   19.778  240.163   9.7828 -2.963821 22.06535 
1 1 1  -21   20   13 o  168.157   8.8893   77.380   8.0386   72.869   11.736   81.367   11.033  163.436   13.289  172.878   11.811 -9.442017 17.77869 
1 1 1  -21   20   14 o   89.172   15.150   26.730   9.0025   40.689   10.635  -8.5676   16.911  121.802   16.158   56.543   25.632 65.25900 30.29935 
1 1 1  -21   20   15 f  138.884   9.8654   52.721   7.4028   53.752   10.568   51.727   10.373  140.217   13.947  137.551   13.956 2.666565 19.73086 
1 1 1  -21   20   16 o   39.206   12.992  -9.8406   6.9071  -7.5172   10.134 -11.8565   9.4392   41.886   19.306   36.526   17.391 5.360081 25.98437 
1 1 1  -21   20   17 o  300.071   9.3325  244.639   15.132   0.0000   0.0000  244.639   15.132  ?   ?   300.071   9.3325      ?      ? 
1 1 1  -21   20   18 o  283.667   7.1290  218.910   10.846  218.124   16.348  219.527   14.496  283.099   10.687  284.236   9.4383 -1.136078 14.25795 
1 1 1  -21   20   19 o   92.298   21.356   23.752   11.827   22.351   20.867   24.414   14.355   92.673   33.037   91.922   27.072 0.7500992 42.71256 
1 1 1  -21   20   20 o  358.469   10.294  355.279   19.746  305.856   28.357  401.802   27.512  333.625   15.729  383.312   13.283 -49.68753 20.58722 
1 1 1  -21   20   21 o  353.499   13.069  341.892   24.964   0.0000   0.0000  341.892   24.964  ?   ?   353.499   13.069      ?      ? 
1 1 1  -21   20   22 o  395.622   6.8084  425.893   14.540  399.771   20.358  453.089   20.772  383.182   9.8322  408.063   9.4204 -24.88177 13.61674 
1 1 1  -21   20   23 o  115.268   12.518   37.174   7.5067   46.149   11.042   29.462   10.236  129.306   15.803  101.230   19.418 28.07553 25.03642 
1 1 1  -21   20   24 o   82.100   15.094   20.177   7.1116   11.281   10.631   27.381   9.5674   66.621   23.599   97.579   18.827 -30.95767 30.18885 
1 1 1  -21   20   25 o  146.805   9.5032   59.232   7.5311   59.242   10.897   59.222   10.421  146.761   13.740  146.849   13.132 -0.8848572E-01 19.00639 
1 1 1  -21   20   26 o  143.407   9.5003   56.425   7.3532   59.479   10.717   53.709   10.108  147.055   13.487  139.759   13.384 7.295563 19.00054 
1 1 1  -21   20   27 o  289.808   6.5909  228.943   10.268  229.173   15.322  228.755   13.834  289.808   9.7841  289.807   8.8336 0.9155273E-03 13.18182 
1 1 1  -21   20   28 o  158.135   8.8595   68.643   7.5164   69.589   11.358   67.906   10.026  158.949   13.224  157.322   11.793 1.626984 17.71895 
1 1 1  -21   20   29 o   49.833   14.699   2.1243   6.6079  -0.2678   10.063   3.9380   8.7618   48.474   20.956   51.193   20.617 -2.719551 29.39756 
1 1 1  -21   20   30 o  100.231   12.651   28.789   6.6208   28.261   10.091   29.187   8.7730   98.228   19.697  102.234   15.880 -4.006172 25.30162 
1 1 1  -21   20   31 o  116.616   10.948   37.575   6.8622   43.000   10.302   33.248   9.2007  124.134   15.358  109.097   15.607 15.03718 21.89604 
1 1 1  -21   20   32 o  240.865   6.8200  158.678   8.8410  161.060   13.144  156.710   11.947  242.380   10.036  239.350   9.2374 3.030762 13.63996 
1 1 1  -21   20   33 o  105.909   12.233   31.512   6.7900   37.984   10.418   26.732   8.9526  116.092   16.607   95.727   17.967 20.36469 24.46674 
1 1 1  -21   20   34 o   49.242   14.292   2.2380   6.4387  -4.5900   9.9588   7.1422   8.4400   43.171   19.608   55.314   20.798 -12.14336 28.58408 
1 1 1  -21   20   35 o   59.798   15.773   8.4648   6.8357   11.515   10.344   6.0999   9.1077   65.096   23.255   54.500   21.317 10.59609 31.54675 
1 1 1  -21   20   36 o   80.541   14.796   19.542   6.4539   20.961   9.8240   18.464   8.5604   82.871   21.687   78.211   20.135 4.659935 29.59286 
1 1 1  -21   20   37 o   76.011   14.412   17.960   6.4192   9.9387   9.5360   24.607   8.6804   61.135   22.263   90.886   18.308 -29.75121 28.82374 
1 1 1  -21   20   38 f  167.037   8.2701   76.560   7.3386   83.715   11.682   71.895   9.4320  173.042   12.493  161.032   10.839 12.01051 16.54011 
1 1 1  -21   20   39 o   61.498   14.745   8.2249   6.4993   19.257   9.9373  -0.0216   8.5917   78.692   22.333   44.304   19.258 34.38812 29.48946 
1 1 1  -21   20   40 o  133.794   10.056   51.071   7.0697   49.657   11.287   51.985   9.0692  131.457   15.889  136.131   12.329 -4.673935 20.11154 
1 1 1  -21   20   41 o  163.493   8.6600   72.770   7.4985   87.448   12.175   63.800   9.5177  176.064   12.798  150.923   11.671 25.14041 17.31994 
1 1 1  -21   20   42 o  118.410   10.766   41.027   6.7059   37.120   10.415   43.795   8.7646  112.532   17.127  124.289   13.050 -11.75625 21.53217 
1 1 1  -21   20   43 o  154.841   9.0630   68.185   7.4505   66.623   11.573   69.290   9.7367  152.601   14.035  157.082   11.471 -4.480606 18.12600 
1 1 1  -21   20   44 f  161.679   8.9118   74.001   7.7259   74.420   11.671   73.674   10.308  161.622   13.363  161.736   11.794 -0.1136017 17.82360 
1 1 1  -21   20   45 o  150.788   9.6289   64.421   7.7237   70.669   12.236   60.283   9.9586  156.173   14.499  145.402   12.675 10.77032 19.25787 
1 1 1  -21   20   46 o   46.583   14.450   0.6913   6.9076  -1.2675   11.014   1.9613   8.8683   46.871   21.014   46.295   19.839 0.5765190 28.89963 
1 1 1  -21   20   47 o  114.049   11.823   39.149   7.0937   40.047   11.399   38.581   9.0624  113.713   18.551  114.385   14.662 -0.6724396 23.64533 
1 1 1  -21   20   48 o   39.672   18.307  -4.0942   9.1501   0.0000   0.0000  -4.0942   9.1501  ?   ?    39.672   18.307      ?      ? 
1 1 1  -21   20   49 o  114.693   14.231   53.221   11.579 -13.7928   18.685   95.000   14.754   50.161   24.041  179.226   15.234 -129.0654 28.46130 
1 1 1  -21   20   50 o   67.980   18.550   1.2678   10.799   40.383   19.276 -16.6239   13.037   96.873   31.834   39.088   19.053 57.78509 37.10038 
1 1 1  -21   20   51 o   46.899   15.618  -5.5535   10.651   5.2410   14.525 -18.1104   15.666   52.935   23.897   40.863   20.116 12.07167 31.23629 
1 1 1  -21   20   52 f   74.165   19.277   22.060   10.665   13.077   14.957   31.351   15.211   62.368   26.203   85.962   28.281 -23.59405 38.55399 
1 1 1  -21   20   53 o   55.952   17.106   9.0588   9.8782   1.1117   14.407   16.110   13.571   49.179   22.791   62.725   25.516 -13.54651 34.21223 
1 1 1  -21   21    1 o  160.473   8.7103   70.434   7.5043   80.098   10.664   60.955   10.562  171.504   11.507  149.441   13.079 22.06216 17.42069 
1 1 1  -21   21    2 o   73.319   15.366   14.415   6.8758   21.989   10.010   7.6508   9.4604   87.343   21.382   59.296   22.073 28.04677 30.73162 
1 1 1  -21   21    3 o   46.773   20.201  -0.7618   9.3313  -0.7618   9.3313   0.0000   0.0000   46.773   20.201  ?   ?       ?      ? 
1 1 1  -21   21    4 o  345.379   6.7526  323.730   12.573  328.533   18.482  319.592   17.154  347.704   9.8369  343.054   9.2535 4.650513 13.50524 
1 1 1  -21   21    5 o  512.923   10.684  715.707   29.612   0.0000   0.0000  715.707   29.612  ?   ?   512.923   10.684      ?      ? 
1 1 1  -21   21    6 o  182.147   8.4484   90.238   8.3066   94.526   12.090   86.403   11.432  186.229   12.014  178.065   11.882 8.163651 16.89677 
1 1 1  -21   21    7 o  279.539   9.5861  212.324   14.480   0.0000   0.0000  212.324   14.480  ?   ?   279.539   9.5861      ?      ? 
1 1 1  -21   21    8 o  335.010   6.8167  304.488   12.296  310.805   18.256  299.242   16.635  338.113   9.9920  331.907   9.2752 6.206207 13.63338 
1 1 1  -21   21    9 o  459.053   10.018  572.982   24.850   0.0000   0.0000  572.982   24.850  ?   ?   459.053   10.018      ?      ? 
1 1 1  -21   21   10 o   86.733   15.745   21.807   7.6023   28.250   10.686   15.203   10.818   99.183   20.611   74.283   23.807 24.89999 31.48933 
1 1 1  -21   21   12 o  193.238   11.191  101.697   11.686   0.0000   0.0000  101.697   11.686  ?   ?   193.238   11.191      ?      ? 
1 1 1  -21   21   13 o   77.631   20.729   10.040   9.1804   22.770   23.242   7.6868   9.9930   95.094   34.737   60.167   22.629 34.92626 41.45770 
1 1 1  -21   21   14 o  195.392   8.2350  104.636   8.6224   89.280   12.198  119.970   12.189  180.858   12.482  209.926   10.746 -29.06825 16.46996 
1 1 1  -21   21   15 o  138.764   12.829   46.803   8.9571   36.501   10.569   73.063   16.874  115.109   16.992  162.419   19.226 -47.31027 25.65868 
1 1 1  -21   21   16 o  182.100   11.611   90.456   11.425   0.0000   0.0000   90.456   11.425  ?   ?   182.100   11.611      ?      ? 
1 1 1  -21   21   17 o   77.047   20.625  -5.0676   12.946   35.248   23.593 -22.4369   15.486  109.351   35.169   44.743   21.558 64.60825 41.25056 
1 1 1  -21   21   18 o  229.461   13.107  152.234   15.534  116.351   23.752  179.054   20.534  203.749   21.573  255.172   14.892 -51.42274 26.21424 
1 1 1  -21   21   19 o  186.417   14.914  105.294   13.692   72.252   22.115  125.833   17.436  159.095   25.724  213.738   15.097 -54.64320 29.82710 
1 1 1  -21   21   20 o   86.214   15.902   21.550   7.4764   24.548   11.126   19.082   10.096   91.490   22.630   80.939   22.348 10.55186 31.80444 
1 1 1  -21   21   21 o  248.715   7.2536  168.608   9.6992  170.493   14.498  167.081   13.049  249.856   10.738  247.575   9.7542 2.281281 14.50715 
1 1 1  -21   21   22 o  170.150   8.8158   80.265   8.0105   71.229   11.806   87.976   10.905  160.943   13.575  179.356   11.252 -18.41275 17.63158 
1 1 1  -21   21   23 o  184.445   8.4573   94.151   8.3266   85.797   12.432  100.946   11.213  176.712   13.020  192.178   10.798 -15.46655 16.91456 
1 1 1  -21   21   24 o  236.763   7.0893  153.388   9.0366  148.344   13.229  157.799   12.373  232.985   10.508  240.540   9.5191 -7.554840 14.17865 
1 1 1  -21   21   25 o   70.858   15.933   14.184   6.9984   10.407   10.192   17.553   9.6265   64.274   23.070   77.442   21.981 -13.16850 31.86580 
1 1 1  -21   21   26 o  134.716   10.299   50.370   7.4467   49.582   11.142   51.006   10.011  133.554   15.439  135.878   13.635 -2.324371 20.59759 
1 1 1  -21   21   27 o   51.900   15.016   2.1011   6.7512   7.9480   10.580  -1.9153   8.7687   60.482   23.157   43.317   19.123 17.16505 30.03208 
1 1 1  -21   21   28 o  174.276   8.5873   84.918   7.9357   76.071   12.049   91.695   10.546  165.751   13.453  182.800   10.676 -17.04834 17.17451 
1 1 1  -21   21   29 o   64.898   15.910   11.148   7.0702   5.9795   10.540   15.377   9.5334   57.315   22.771   72.480   22.227 -15.16424 31.82083 
1 1 1  -21   21   30 o  121.078   11.642   40.591   7.1804   57.482   11.061   28.289   9.4397  143.689   14.246   98.467   18.418 45.22159 23.28468 
1 1 1  -21   21   31 o   86.269   14.201   21.442   6.6179   31.355   10.100   13.986   8.7603  103.462   18.757   69.076   21.328 34.38612 28.40215 
1 1 1  -21   21   32 o  113.517   11.400   36.615   6.9378   34.576   10.286   38.317   9.3974  110.232   17.268  116.802   14.889 -6.569839 22.80054 
1 1 1  -21   21   33 o  295.920   6.7279  241.143   10.725  231.642   15.592  249.677   14.777  290.147   9.9448  301.692   9.0642 -11.54538 13.45582 
1 1 1  -21   21   34 o   50.028   14.440  -0.0814   6.7192   10.377   10.184  -8.1438   8.9417   62.831   22.988   37.225   17.481 25.60673 28.87915 
1 1 1  -21   21   35 o   74.192   15.504   16.487   6.5680   19.154   10.300   14.660   8.5263   78.698   22.863   69.686   20.947 9.012062 31.00791 
1 1 1  -21   21   36 o   57.987   15.466   8.3183   6.6188   6.9061   10.009   9.4158   8.8234   56.679   22.294   59.294   21.442 -2.615032 30.93162 
1 1 1  -21   21   37 o   96.184   13.557   27.989   6.7790   25.118   10.540   30.015   8.8529   89.955   21.892  102.414   15.997 -12.45909 27.11360 
1 1 1  -21   21   38 o  123.179   11.160   42.304   7.3158   53.723   11.451   34.429   9.5095  136.964   15.472  109.395   16.087 27.56922 22.31999 
1 1 1  -21   21   39 o  196.551   7.7866  106.274   8.1374  115.985   12.912   99.875   10.481  203.473   11.743  189.630   10.228 13.84358 15.57310 
1 1 1  -21   21   40 o   86.247   15.180   22.551   6.9548   29.345   11.199   18.286   8.8733   96.231   22.014   76.263   20.908 19.96847 30.36031 
1 1 1  -21   21   41 o   67.252   15.732   12.639   6.6665   20.409   10.867   7.9493   8.4417   79.230   23.610   55.275   20.797 23.95434 31.46327 
1 1 1  -21   21   42 o  113.715   12.024   39.187   6.9571   33.454   10.697   43.390   9.1587  104.146   19.730  123.283   13.748 -19.13658 24.04747 
1 1 1  -21   21   43 o   92.880   14.278   27.907   7.0896   20.377   10.675   33.850   9.4830   78.538   23.400  107.221   16.367 -28.68345 28.55593 
1 1 1  -21   21   44 o   75.777   14.859   19.336   6.8692   9.4825   10.618   26.428   9.0083   59.386   23.075   92.167   18.726 -32.78029 29.71747 
1 1 1  -21   21   45 o  226.114   7.3351  142.492   8.8374  152.664   13.872  135.544   11.465  232.215   11.055  220.012   9.6436 12.20354 14.67018 
1 1 1  -21   21   46 o  124.563   11.742   46.116   7.4905   63.322   11.519   33.508   9.8601  146.260   14.574  102.865   18.415 43.39571 23.48454 
1 1 1  -21   21   47 o   78.508   20.525   23.113   11.326   20.340   20.814   24.279   13.500   75.424   31.237   81.591   26.633 -6.167160 41.04980 
1 1 1  -21   21   48 o   61.029   18.791   6.2931   10.442   13.568   20.031   3.5788   12.236   69.115   29.723   52.943   22.998 16.17242 37.58131 
1 1 1  -21   21   49 o   61.815   24.917   13.561   12.810   13.561   12.810   0.0000   0.0000   61.815   24.917  ?   ?       ?      ? 
1 1 1  -21   21   50 o  166.522   13.313   90.929   11.883   78.018   16.418  105.135   17.222  152.308   19.949  180.735   17.634 -28.42648 26.62533 
1 1 1  -21   21   51 o   66.637   18.922   17.777   10.428   19.158   14.536   16.313   14.968   68.350   26.872   64.924   26.648 3.426735 37.84433 
1 1 1  -21   21   52 o  113.309   15.981   43.525   8.8700   64.414   16.363   34.832   10.555  128.232   24.508   98.387   20.519 29.84455 31.96297 
1 1 1  -21   22    1 o   72.704   15.485   14.927   6.5842   15.434   9.0593   14.360   9.5859   73.657   21.454   71.751   22.336 1.905693 30.97045 
1 1 1  -21   22    2 o  378.126   9.5114  388.654   19.434   0.0000   0.0000  388.654   19.434  ?   ?   378.126   9.5114      ?      ? 
1 1 1  -21   22    3 o  254.026   7.1854  175.559   9.8631  174.712   13.963  176.403   13.934  253.408   10.197  254.644   10.126 -1.236145 14.37085 
1 1 1  -21   22    4 o  341.681   9.4218  317.315   17.396   0.0000   0.0000  317.315   17.396  ?   ?   341.681   9.4218      ?      ? 
1 1 1  -21   22    5 o  101.927   13.647   29.284   7.3457   25.404   10.249   33.383   10.533   93.862   20.758  109.992   17.722 -16.13004 27.29440 
1 1 1  -21   22    6 o  291.660   7.0604  231.430   11.119  230.670   16.026  232.135   15.439  291.159   10.186  292.162   9.7795 -1.003601 14.12084 
1 1 1  -21   22    7 o  197.819   8.0293  106.960   8.5468   95.688   12.081  118.253   12.092  187.265   11.939  208.373   10.739 -21.10814 16.05866 
1 1 1  -21   22    9 o  241.210   7.4232  158.551   9.6637  156.359   13.960  160.568   13.391  239.556   10.784  242.865   10.204 -3.308899 14.84644 
1 1 1  -21   22   10 o  188.045   8.4402   96.262   8.5523  106.997   12.441   86.644   11.776  198.005   11.627  178.085   12.237 19.92003 16.88038 
1 1 1  -21   22   11 o  198.431   8.0364  107.553   8.6048  105.022   12.415  109.892   11.937  196.122   11.715  200.741   11.004 -4.619217 16.07283 
1 1 1  -21   22   12 o  204.142   10.738  113.634   11.845   0.0000   0.0000  113.634   11.845  ?   ?   204.142   10.738      ?      ? 
1 1 1  -21   22   13 o   94.540   14.724   26.576   7.4746   18.186   11.287   33.128   9.9750   79.639   24.138  109.442   16.867 -29.80353 29.44730 
1 1 1  -21   22   14 o   51.748   16.805  -5.1785   9.0333 -17.9550   20.481  -2.0928   10.065   56.695   26.570   46.801   20.582 9.893929 33.60940 
1 1 1  -21   22   15 o  123.241   20.296   41.091   13.382   70.563   22.320   24.550   16.721  154.432   27.767   92.049   29.608 62.38332 40.59127 
1 1 1  -21   22   16 o  128.715   20.704   46.691   13.354   60.901   23.852   40.203   16.117  141.184   32.003  116.245   26.276 24.93903 41.40803 
1 1 1  -21   22   17 o  116.594   15.930   33.964   9.5095   20.047   11.533   63.514   16.806   82.889   24.225  150.298   20.692 -67.40909 31.85989 
1 1 1  -21   22   18 o  214.564   10.255  125.656   11.889   0.0000   0.0000  125.656   11.889  ?   ?   214.564   10.255      ?      ? 
1 1 1  -21   22   19 o  128.874   10.932   46.225   7.5419   43.491   11.253   48.454   10.162  125.156   16.638  132.592   14.183 -7.436234 21.86345 
1 1 1  -21   22   20 f  130.495   11.117   48.243   7.6505   39.835   11.419   55.092   10.305  119.513   17.681  141.478   13.480 -21.96436 22.23385 
1 1 1  -21   22   21 o  136.857   10.300   51.610   7.4729   66.009   10.983   39.199   10.197  154.871   13.124  118.843   15.879 36.02869 20.60031 
1 1 1  -21   22   22 o  199.026   7.9069  108.603   8.4481  108.232   12.676  108.899   11.332  198.556   11.814  199.496   10.512 -0.9399719 15.81378 
1 1 1  -21   22   23 o  245.572   7.2158  164.254   9.5212  172.329   14.377  157.947   12.707  250.794   10.609  240.350   9.7838 10.44371 14.43165 
1 1 1  -21   22   24 f   86.252   22.473   22.217   10.580   22.217   10.580   0.0000   0.0000   86.252   22.473  ?   ?       ?      ? 
1 1 1  -21   22   25 o  148.804   9.7588   61.767   7.7682   58.293   11.637   64.560   10.433  144.698   14.883  152.911   12.627 -8.213760 19.51751 
1 1 1  -21   22   26 o   87.511   13.672   21.487   6.9043   37.970   10.319   8.1285   9.2899  116.332   16.416   58.691   21.868 57.64165 27.34437 
1 1 1  -21   22   27 o  156.037   9.2163   67.133   7.7426   71.015   11.559   63.973   10.428  160.010   13.368  152.064   12.690 7.945984 18.43254 
1 1 1  -21   22   28 o  193.398   8.0581  102.370   8.3862  115.901   12.445   91.116   11.350  205.073   11.231  181.723   11.558 23.34923 16.11611 
1 1 1  -21   22   29 o   59.719   15.502   7.5337   6.8205   14.565   10.339   2.1152   9.0756   70.730   23.318   48.708   20.435 22.02166 31.00470 
1 1 1  -21   22   30 o   54.899   21.033   6.7106   8.7315   0.0000   0.0000   6.7106   8.7315  ?   ?    54.899   21.033      ?      ? 
1 1 1  -21   22   31 f  119.651   11.251   41.220   7.1338   34.204   10.458   47.326   9.7563  109.311   17.705  129.992   13.889 -20.68068 22.50255 
1 1 1  -21   22   32 o  101.577   13.851   30.680   7.3094   33.361   10.826   28.435   9.9090  105.684   19.681   97.470   19.495 8.214180 27.70183 
1 1 1  -21   22   33 o  124.772   10.705   44.097   7.1664   44.840   10.826   43.517   9.5612  125.366   15.981  124.179   14.249 1.187119 21.41046 
1 1 1  -21   22   34 o  267.891   6.7661  198.937   9.7344  184.715   14.230  211.445   13.345  258.484   10.188  277.298   8.9062 -18.81400 13.53216 
1 1 1  -21   22   35 o   45.817   14.193  -0.4893   6.7239  -2.8586   10.235   1.3097   8.9184   44.934   20.193   46.699   19.951 -1.764400 28.38671 
1 1 1  -21   22   36 o   77.941   21.572   18.968   9.3940   0.0000   0.0000   18.968   9.3940  ?   ?    77.941   21.572      ?      ? 
1 1 1  -21   22   37 o   77.700   13.719   18.312   7.1965   1.0032   10.705   32.583   9.7205   49.619   21.533  105.780   17.006 -56.16111 27.43833 
1 1 1  -21   22   38 o   95.694   14.710   27.448   7.3423   37.448   11.636   20.832   9.4643  110.201   20.288   81.186   21.305 29.01486 29.41956 
1 1 1  -21   22   39 o  130.737   10.857   49.355   7.5731   49.957   11.677   48.917   9.9495  130.741   16.528  130.733   14.084 0.8392334E-02 21.71465 
1 1 1  -21   22   40 o   92.846   14.723   27.366   7.0931   25.521   11.280   28.572   9.1222   88.644   23.258   97.048   18.060 -8.404221 29.44637 
1 1 1  -21   22   41 o   71.391   16.349   16.484   7.1587   15.754   11.256   16.980   9.2767   70.152   24.324   72.630   21.853 -2.478210 32.69889 
1 1 1  -21   22   42 f   43.124   13.847  -3.3030   6.8827   0.0463   10.830  -5.5721   8.9143   47.881   21.189   38.367   17.831 9.513958 27.69339 
1 1 1  -21   22   43 o   90.633   15.205   26.285   7.2137   29.949   11.500   23.909   9.2627   94.979   22.713   86.287   20.219 8.691902 30.40907 
1 1 1  -21   22   44 o   73.494   15.133   18.807   7.3480   6.2406   11.334   27.918   9.6509   54.367   22.824   92.621   19.878 -38.25396 30.26635 
1 1 1  -21   22   45 o   40.235   13.235  -5.7229   7.0688 -12.2175   11.324  -1.5763   9.0483   38.484   18.515   41.986   18.916 -3.502056 26.46938 
1 1 1  -21   22   46 o   71.791   20.250   15.971   10.829   22.770   20.757   13.428   12.693   78.093   31.633   65.489   25.289 12.60433 40.49963 
1 1 1  -21   22   47 o   45.995   22.543 -21.2725   19.000 -21.2725   19.000   0.0000   0.0000   45.995   22.543  ?   ?       ?      ? 
1 1 1  -21   22   48 o   44.478   15.136  -9.7753   10.886  -2.8041   14.813 -17.9595   16.050   47.492   22.364   41.464   20.402 6.028378 30.27197 
1 1 1  -21   22   49 o  155.747   14.412   81.218   12.128   82.770   17.270   79.707   17.035  157.311   20.317  154.183   20.447 3.128189 28.82440 
1 1 1  -21   22   50 o   57.069   16.891   8.5714   8.4157   21.097   14.594   2.3313   10.301   68.519   26.930   45.619   20.396 22.90042 33.78196 
1 1 1  -21   23    1 o  265.019   9.6437  191.356   13.810   0.0000   0.0000  191.356   13.810  ?   ?   265.019   9.6437      ?      ? 
1 1 1  -21   23    2 o   51.731   14.889   2.9476   6.6788   6.2203   9.1248  -0.8288   9.8019   55.907   21.482   47.555   20.621 8.352203 29.77718 
1 1 1  -21   23    3 o  137.042   9.9775   51.631   7.3861   50.948   10.287   52.358   10.612  136.128   13.984  137.956   14.235 -1.828247 19.95509 
1 1 1  -21   23    4 o   57.405   15.603   6.5073   6.8185   5.2849   9.4578   7.8302   9.8392   55.042   21.664   59.769   22.459 -4.727043 31.20507 
1 1 1  -21   23    5 o  223.928   10.488  136.831   12.691   0.0000   0.0000  136.831   12.691  ?   ?   223.928   10.488      ?      ? 
1 1 1  -21   23    6 o  190.167   8.0321   98.908   8.2466   94.087   11.652  103.746   11.673  185.469   11.626  194.865   11.086 -9.396133 16.06426 
1 1 1  -21   23    7 o  172.151   8.9708   81.282   8.3422   79.179   11.828   83.365   11.768  169.895   12.883  174.407   12.487 -4.512680 17.94158 
1 1 1  -21   23    9 o  163.160   9.3170   73.119   8.1873   65.588   11.446   81.009   11.716  154.445   13.715  171.874   12.615 -17.42892 18.63399 
1 1 1  -21   23   10 o  167.688   9.0541   76.939   8.1677   87.578   11.874   67.384   11.253  178.761   12.292  156.614   13.297 22.14742 18.10813 
1 1 1  -21   23   11 o  220.610   7.6985  132.999   9.1604  132.923   13.363  133.066   12.582  220.474   11.217  220.746   10.548 -0.2719116 15.39694 
1 1 1  -21   23   12 o  270.403   10.534  205.648   13.307  193.964   26.167  209.724   15.455  263.633   18.368  277.173   10.319 -13.53998 21.06810 
1 1 1  -21   23   13 o  111.023   22.411   33.304   14.236   57.207   23.881   20.126   17.731  135.976   32.865   86.070   30.478 49.90684 44.82227 
1 1 1  -21   23   14 o  133.490   21.053   53.091   14.333   58.221   24.002   50.248   17.870  137.080   32.835  129.901   26.359 7.178543 42.10625 
1 1 1  -21   23   15 o  324.585   11.428  294.734   19.774  275.450   29.923  309.685   26.347  314.275   17.620  334.895   14.559 -20.61951 22.85681 
1 1 1  -21   23   16 o  104.263   17.965   30.032   9.3155   26.176   11.016   39.707   17.451   94.249   22.027  114.278   28.387 -20.02939 35.93043 
1 1 1  -21   23   17 f   66.480   17.579   10.427   8.6585   14.631   10.337   0.5396   15.852   71.964   23.293   60.996   26.336 10.96870 35.15887 
1 1 1  -21   23   18 o  160.527   9.4753   70.051   8.0834   90.288   12.191   54.174   10.798  181.140   12.455  139.913   14.283 41.22661 18.95058 
1 1 1  -21   23   19 f  334.668   6.7937  306.824   12.256  292.360   17.670  320.237   17.016  326.887   10.003  342.449   9.1952 -15.56207 13.58734 
1 1 1  -21   23   20 o  226.497   7.3998  140.402   9.0073  142.661   13.505  138.591   12.089  227.978   10.963  225.016   9.9421 2.962402 14.79961 
1 1 1  -21   23   21 o  153.322   9.2547   64.617   7.6372   69.268   11.437   60.874   10.260  158.192   13.380  148.451   12.790 9.740784 18.50937 
1 1 1  -21   23   22 o   90.097   14.884   23.609   7.1727   31.426   10.815   17.472   9.5837  103.438   20.073   76.755   21.983 26.68327 29.76889 
1 1 1  -21   23   23 o   79.979   15.616   19.140   7.1649   13.546   10.276   24.432   9.9947   69.325   23.260   90.633   20.843 -21.30838 31.23197 
1 1 1  -21   23   24 o  167.895   8.9623   76.908   8.0730   89.085   12.297   67.685   10.702  179.405   12.685  156.385   12.665 23.01987 17.92465 
1 1 1  -21   23   25 o  132.211   10.509   48.881   7.4600   49.212   11.209   48.618   9.9949  132.358   15.673  132.065   14.006 0.2931519 21.01893 
1 1 1  -21   23   26 o   80.054   13.370   16.194   7.1561   36.652   10.653  -0.6314   9.6606  113.521   17.366   46.588   20.333 66.93260 26.73964 
1 1 1  -21   23   27 o   47.840   14.368  -0.4112   6.8514  -7.2548   9.7899   6.1582   9.5918   40.267   18.705   55.413   21.815 -15.14637 28.73598 
1 1 1  -21   23   28 o   60.326   14.895   8.6756   6.6689  -0.1247   9.8443   16.140   9.0663   47.444   20.619   73.207   21.502 -25.76298 29.79082 
1 1 1  -21   23   29 o  123.233   11.112   42.870   7.3632   49.094   10.760   37.388   10.098  131.831   15.104  114.635   16.302 17.19639 22.22350 
1 1 1  -21   23   30 o   61.673   15.559   9.4591   6.7744   15.503   10.074   4.4698   9.1530   71.621   22.976   51.725   20.987 19.89569 31.11839 
1 1 1  -21   23   31 o  162.736   9.0304   74.883   7.8241   68.893   11.818   79.557   10.440  156.313   13.991  169.158   11.421 -12.84535 18.06085 
1 1 1  -21   23   32 o   63.672   16.326   11.152   7.2512   10.238   10.479   11.992   10.044   62.394   23.231   64.950   22.946 -2.556114 32.65211 
1 1 1  -21   23   33 o  116.207   17.238   39.125   10.824   39.125   10.824   0.0000   0.0000  116.207   17.238  ?   ?       ?      ? 
1 1 1  -21   23   34 o   37.147   12.405 -10.3282   6.7768 -18.9528   10.331  -3.8151   8.9781   33.483   16.454   40.812   18.568 -7.328423 24.80934 
1 1 1  -21   23   35 o   70.836   16.177   15.208   7.0837   19.514   10.705   11.854   9.4482   78.111   23.469   63.561   22.271 14.54976 32.35435 
1 1 1  -21   23   36 o   68.414   15.268   14.542   7.0868   4.0810   11.098   21.744   9.2087   53.607   22.549   83.221   20.590 -29.61374 30.53554 
1 1 1  -21   23   37 o  115.225   13.070   40.474   7.7696   35.923   11.723   44.038   10.376  107.177   20.994  123.274   15.576 -16.09772 26.14063 
1 1 1  -21   23   38 o  177.473   11.635   88.559   11.158   0.0000   0.0000   88.559   11.158  ?   ?   177.473   11.635      ?      ? 
1 1 1  -21   23   39 o   98.139   14.621   32.552   7.7879   16.688   11.670   45.292   10.457   71.713   24.772  124.564   15.536 -52.85039 29.24122 
1 1 1  -21   23   40 o   80.185   16.457   21.362   7.4934   21.573   11.587   21.210   9.8243   79.860   24.507   80.509   21.970 -0.6483307 32.91330 
1 1 1  -21   23   41 o  126.734   12.039   49.551   7.7543   38.732   11.428   58.781   10.556  110.877   19.801  142.592   13.700 -31.71526 24.07833 
1 1 1  -21   23   42 o  148.671   10.444   66.471   8.2060   58.447   12.399   72.723   10.946  138.919   16.518  158.422   12.787 -19.50284 20.88851 
1 1 1  -21   23   43 o  133.473   11.932   55.747   8.2012   44.512   12.655   63.881   10.768  118.828   19.709  148.118   13.454 -29.28957 23.86333 
1 1 1  -21   23   44 o  132.145   16.499   73.282   12.761   9.7995   20.118  116.013   16.506   66.450   29.163  197.839   15.440 -131.3888 32.99815 
1 1 1  -21   23   45 o   38.850   19.662 -53.8063   20.418 -53.8063   20.418   0.0000   0.0000   38.850   19.662  ?   ?       ?      ? 
1 1 1  -21   23   46 o   57.670   25.269   10.198   15.049   10.198   15.049   0.0000   0.0000   57.670   25.269  ?   ?       ?      ? 
1 1 1  -21   23   47 o   97.683   18.814   38.551   10.783   26.239   15.203   51.014   15.295   78.323   28.170  117.043   24.946 -38.72039 37.62782 
1 1 1  -21   23   48 o  143.730   15.029   72.586   11.619   68.378   16.727   76.509   16.151  137.749   22.472  149.710   19.964 -11.96031 30.05895 
1 1 1  -21   24    1 o  122.680   10.886   41.519   7.1591   34.801   9.8187   49.144   10.461  111.957   16.230  133.403   14.511 -21.44601 21.77120 
1 1 1  -21   24    2 o   67.926   15.654   12.803   6.6113   13.934   9.3066   11.651   9.3936   70.116   22.038   65.735   22.237 4.380348 31.30760 
1 1 1  -21   24    3 o  196.570   7.8407  105.613   8.3102  115.628   11.967   96.286   11.549  205.630   10.770  187.510   11.398 18.11995 15.68148 
1 1 1  -21   24    4 o   50.293   14.670   1.0271   6.7344  -4.4442   9.2493   7.2001   9.8245   42.070   19.024   58.515   22.336 -16.44432 29.33953 
1 1 1  -21   24    5 o   98.087   13.586   28.404   7.1662   11.470   9.9207   46.882   10.363   65.926   22.837  130.248   14.724 -64.32184 27.17209 
1 1 1  -21   24    6 o  209.481   7.8461  120.284   8.8618  117.071   12.863  123.187   12.227  206.710   11.515  212.251   10.660 -5.541702 15.69220 
1 1 1  -21   24    7 o   50.027   14.692   0.9899   6.8732   6.5785   9.4392  -5.3176   10.028   56.822   21.845   43.232   19.652 13.58953 29.38375 
1 1 1  -21   24    8 o  150.969   9.9059   62.673   7.9452   48.363   10.842   79.273   11.677  132.141   15.183  169.798   12.727 -37.65732 19.81182 
1 1 1  -21   24    9 o   63.223   19.514   0.6804   9.9298   4.8108   23.305  -0.2358   10.976   75.737   32.301   50.709   21.904 25.02831 39.02759 
1 1 1  -21   24   10 o  107.736   23.254   35.645   14.585   37.995   22.959   34.054   18.885  110.298   34.605  105.174   31.073 5.123924 46.50860 
1 1 1  -21   24   11 o   98.944   20.830   30.576   13.818   4.6622   22.564   46.126   17.480   74.424   31.763  123.464   26.956 -49.03997 41.65966 
1 1 1  -21   24   12 o  154.206   19.661   78.828   14.680   48.401   24.062   96.869   18.528  122.894   34.707  185.517   18.482 -62.62340 39.32135 
1 1 1  -21   24   13 o   47.199   14.685  -2.4498   7.3719   1.4637   10.402  -6.3986   10.449   51.259   21.710   43.140   19.780 8.118370 29.36984 
1 1 1  -21   24   14 o  103.419   14.048   31.250   7.5641   32.710   10.797   29.843   10.600  105.949   19.580  100.889   20.149 5.059959 28.09579 
1 1 1  -21   24   15 o  200.623   11.976  101.890   10.412  132.635   24.474   95.096   11.505  215.265   21.040  185.981   11.448 29.28374 23.95233 
1 1 1  -21   24   16 o  204.810   12.998  124.462   11.045  108.784   24.820  128.333   12.333  193.322   23.759  216.298   10.552 -22.97638 25.99668 
1 1 1  -21   24   17 o   97.320   17.972   27.186   9.1203   23.403   11.100   35.045   15.999   88.235   23.034  106.406   27.594 -18.17161 35.94426 
1 1 1  -21   24   18 o  132.203   15.405   57.106   9.4968   69.032   11.813   35.315   15.968  157.687   13.864  106.719   27.514 50.96763 30.80926 
1 1 1  -21   24   19 o  195.834   8.3181  104.860   8.7645  115.785   13.152   96.134   11.755  204.895   11.879  186.773   11.647 18.12207 16.63617 
1 1 1  -21   24   20 o  188.626   8.4407   98.198   8.5937   98.827   12.468   97.629   11.862  189.111   12.201  188.141   11.667 0.9703064 16.88149 
1 1 1  -21   24   21 o  145.036   10.127   59.230   7.8317   48.794   11.126   69.478   11.026  131.818   15.620  158.253   12.893 -26.43483 20.25420 
1 1 1  -21   24   22 o   53.411   15.549   3.8587   7.2219   3.9936   10.567   3.7405   9.8928   54.216   22.337   52.606   21.636 1.609238 31.09797 
1 1 1  -21   24   23 o   98.353   13.938   27.589   7.2847   43.439   11.200   15.967   9.5906  123.687   16.757   73.018   22.276 50.66925 27.87520 
1 1 1  -21   24   24 o  150.563   9.6131   62.336   7.7581   73.106   11.868   54.299   10.252  161.743   13.578  139.383   13.612 22.36058 19.22626 
1 1 1  -21   24   25 o   81.865   15.062   20.253   6.8867   26.479   9.9140   14.448   9.5735   93.886   20.145   69.843   22.397 24.04301 30.12352 
1 1 1  -21   24   26 o   50.450   14.587   1.1485   6.9646  -8.0758   10.086   9.5555   9.6288   40.190   18.774   60.710   22.331 -20.52075 29.17411 
1 1 1  -21   24   27 o   50.217   15.020   2.0297   7.0785  -0.3305   10.012   4.3885   10.009   47.287   20.668   53.146   21.799 -5.858902 30.03940 
1 1 1  -21   24   28 o  293.624   6.9696  238.396   10.975  234.347   16.479  241.623   14.713  290.973   10.481  296.275   9.1899 -5.301331 13.93912 
1 1 1  -21   24   29 o   75.356   16.269   17.605   7.2412   16.325   10.766   18.662   9.7852   73.092   23.780   77.619   22.207 -4.526817 32.53719 
1 1 1  -21   24   30 o   42.314   13.587  -6.4805   7.1505 -15.2982   10.354   1.5600   9.8869   35.639   17.282   48.989   20.970 -13.35011 27.17314 
1 1 1  -21   24   31 o   77.714   16.142   19.087   7.2245   18.037   10.777   19.944   9.7360   75.693   23.703   79.734   21.918 -4.040993 32.28320 
1 1 1  -21   24   32 o  151.019   9.7419   65.072   7.9047   59.161   11.387   70.569   10.982  143.891   14.645  158.147   12.850 -14.25583 19.48376 
1 1 1  -21   24   33 o   33.257   11.580 -19.6902   7.3750 -22.2975   10.613 -17.2552   10.256   32.447   16.080   34.067   16.668 -1.619629 23.16012 
1 1 1  -21   24   34 o  232.706   10.050  150.705   12.637   0.0000   0.0000  150.705   12.637  ?   ?   232.706   10.050      ?      ? 
1 1 1  -21   24   35 o   69.986   16.578   13.833   7.7164   23.378   11.855   6.8158   10.165   84.235   24.544   55.737   22.291 28.49831 33.15539 
1 1 1  -21   24   36 o  136.866   10.754   54.240   7.8352   53.992   12.117   54.419   10.271  135.781   16.515  137.950   13.779 -2.168701 21.50840 
1 1 1  -21   24   37 o  115.424   13.714   39.837   8.2225   52.245   12.765   31.038   10.749  132.026   17.893   98.822   20.789 33.20402 27.42868 
1 1 1  -21   24   38 o   37.818   12.786 -12.4627   7.3422  -5.0883   10.981 -18.4252   9.8740   43.427   20.045   32.208   15.877 11.21886 25.57108 
1 1 1  -21   24   39 o   58.156   16.016   8.1232   7.7361   0.6201   11.278   14.790   10.631   48.900   21.632   67.412   23.624 -18.51229 32.03226 
1 1 1  -21   24   40 f  237.781   7.7512  159.292   9.8262  171.138   15.396  151.150   12.764  244.367   11.659  231.195   10.217 13.17218 15.50234 
1 1 1  -21   24   41 o   81.133   17.396   23.198   8.2349   23.950   12.609   22.639   10.874   81.472   25.659   80.794   23.497 0.6780319 34.79208 
1 1 1  -21   24   42 o  193.957   21.663  121.059   22.705  121.059   22.705   0.0000   0.0000  193.957   21.663  ?   ?       ?      ? 
1 1 1  -21   24   43 o   91.505   33.954   38.356   22.350   38.356   22.350   0.0000   0.0000   91.505   33.954  ?   ?       ?      ? 
1 1 1  -21   24   45 o   56.690   17.626   7.0581   10.658   12.604   14.721   0.9495   15.450   61.469   25.919   51.911   23.894 9.557240 35.25219 
1 1 1  -21   24   46 o   54.304   16.597   6.3563   8.6414   13.622   14.275   2.1542   10.856   61.617   25.723   46.990   20.980 14.62711 33.19351 
1 1 1  -21   24   47 o   68.889   17.151   19.943   7.9661   18.668   12.288   20.867   10.462   66.049   25.036   71.729   23.448 -5.680473 34.30123 
1 1 1  -21   25    1 o   43.469   13.635  -3.6452   6.5660  -8.6825   9.1904   1.6065   9.3840   37.832   17.752   49.107   20.700 -11.27436 27.26920 
1 1 1  -21   25    2 o   99.169   13.582   28.437   7.0720   18.341   9.6629   40.082   10.378   78.611   21.922  119.727   16.041 -41.11604 27.16410 
1 1 1  -21   25    3 f  193.584   8.0378  102.877   8.4014   97.727   11.646  108.465   12.132  188.521   11.432  198.647   11.302 -10.12599 16.07565 
1 1 1  -21   25    4 o   42.294   13.433  -5.5118   6.6819 -12.2257   9.4513   1.1971   9.4478   35.873   17.168   48.716   20.665 -12.84299 26.86595 
1 1 1  -21   25    5 o  124.065   11.163   42.991   7.4818   44.294   10.659   41.725   10.505  125.951   15.661  122.180   15.911 3.771439 22.32527 
1 1 1  -21   25    6 o   75.844   21.474   8.4630   9.6274   24.144   26.482   6.0749   10.335   94.498   36.518   57.190   22.603 37.30814 42.94702 
1 1 1  -21   25    7 o  203.442   16.030  119.800   16.485  119.347   28.721  120.022   20.131  200.702   26.482  206.182   18.069 -5.479568 32.05925 
1 1 1  -21   25    8 o   96.426   24.442   25.176   15.729   39.189   26.525   17.577   19.533  110.088   37.367   82.763   31.518 27.32471 48.88443 
1 1 1  -21   25    9 o   73.171   22.270   4.5295   15.551   3.2680   25.446   5.2815   19.647   75.974   33.084   70.367   29.822 5.606712 44.54096 
1 1 1  -21   25   10 o  159.113   23.229   73.626   19.972   0.0000   0.0000   73.626   19.972  ?   ?   159.113   23.229      ?      ? 
1 1 1  -21   25   11 o  228.114   7.7504  142.905   9.5231  158.811   13.699  128.029   13.248  240.535   10.540  215.693   11.366 24.84200 15.50085 
1 1 1  -21   25   12 o  190.232   8.3122   99.248   8.5136   94.246   11.465  105.395   12.711  185.006   11.468  195.457   12.035 -10.45079 16.62433 
1 1 1  -21   25   13 o  146.172   10.292   59.531   8.1207   59.285   11.216   59.801   11.773  145.957   14.220  146.388   14.884 -0.4313354 20.58494 
1 1 1  -21   25   14 o  117.479   11.845   38.473   7.4720   33.199   10.048   44.997   11.175  108.451   17.146  126.506   16.348 -18.05555 23.69073 
1 1 1  -21   25   15 o   79.190   16.113   18.671   7.4735   24.367   10.614   13.072   10.524   89.934   22.018   68.446   23.532 21.48801 32.22694 
1 1 1  -21   25   16 o   96.574   21.186   25.003   9.4803   36.982   25.112   23.012   10.238  105.812   36.352   87.336   21.770 18.47560 42.37238 
1 1 1  -21   25   17 o   65.239   18.798   8.6892   9.3431  -9.8716   23.882   12.044   10.152   64.412   29.670   66.065   23.090 -1.653595 37.59578 
1 1 1  -21   25   18 o   96.945   17.392   24.094   9.2616   12.482   11.208   49.099   16.446   67.605   24.200  126.285   24.985 -58.68046 34.78365 
1 1 1  -21   25   19 o   81.120   18.713   18.916   8.8776   16.603   10.663   24.144   16.028   74.416   23.613   87.823   29.037 -13.40755 37.42589 
1 1 1  -21   25   20 o   70.923   15.182   12.997   7.3320   25.780   10.598   1.2616   10.154   92.077   21.662   49.770   21.276 42.30708 30.36321 
1 1 1  -21   25   21 o   72.945   16.621   15.598   7.6133   20.382   10.931   11.091   10.610   81.378   23.527   64.511   23.484 16.86684 33.24207 
1 1 1  -21   25   22 o   93.459   14.567   26.433   7.1647   29.063   10.251   23.920   10.018   98.366   19.967   88.551   21.215 9.814316 29.13342 
1 1 1  -21   25   23 o  142.598   10.299   57.937   7.8494   52.784   11.630   62.248   10.638  136.173   15.805  149.024   13.210 -12.85184 20.59856 
1 1 1  -21   25   24 o   77.863   22.831   18.787   10.229   18.787   10.229   0.0000   0.0000   77.863   22.831  ?   ?       ?      ? 
1 1 1  -21   25   25 o  114.002   12.249   37.590   7.5018   36.123   11.069   38.837   10.202  111.489   18.374  116.516   16.203 -5.026634 24.49816 
1 1 1  -21   25   26 o  153.758   9.5646   66.187   7.9229   73.297   11.698   60.160   10.769  161.396   13.413  146.120   13.639 15.27618 19.12924 
1 1 1  -21   25   27 f  109.382   12.392   34.718   7.2982   35.094   10.798   34.402   9.9024  109.613   18.230  109.151   16.789 0.4614792 24.78340 
1 1 1  -21   25   28 o  106.201   13.466   34.187   7.4434   27.623   10.696   40.350   10.365   94.128   21.501  118.274   16.217 -24.14534 26.93108 
1 1 1  -21   25   29 o   81.106   16.194   20.906   7.5115   25.171   10.693   16.750   10.554   89.165   22.261   73.046   23.526 16.11908 32.38857 
1 1 1  -21   25   30 o  126.596   11.388   46.266   7.7276   48.056   11.772   44.911   10.244  128.254   16.986  124.938   15.173 3.316315 22.77591 
1 1 1  -21   25   31 o   87.827   15.671   24.866   7.4859   21.371   10.876   28.014   10.320   81.119   23.472   94.535   20.769 -13.41665 31.34130 
1 1 1  -21   25   32 o   57.455   16.071   7.5823   7.4527   9.9720   10.526   5.1800   10.554   60.877   23.148   54.033   22.300 6.843704 32.14184 
1 1 1  -21   25   33 o   66.986   16.604   13.631   7.3904   14.695   11.100   12.783   9.9054   68.894   24.139   65.078   22.804 3.815674 33.20714 
1 1 1  -21   25   34 o   94.850   15.530   29.181   7.7899   27.006   11.613   30.961   10.504   90.420   23.538   99.280   20.265 -8.860481 31.05991 
1 1 1  -21   25   35 o   53.861   15.430   4.2639   7.4055   12.399   10.823  -2.8972   10.155   64.072   23.657   43.650   19.816 20.42236 30.86014 
1 1 1  -21   25   36 o   74.831   16.944   18.758   7.7986   16.646   11.361   20.639   10.724   71.115   24.450   78.548   23.466 -7.433243 33.88845 
1 1 1  -21   25   37 o   49.065   15.083   1.9157   7.3706   4.9587   11.395  -0.2735   9.6648   53.408   22.677   44.723   19.893 8.685013 30.16589 
1 1 1  -21   25   38 o   63.285   16.264   11.870   7.6035   19.979   11.172   4.8725   10.378   75.127   24.205   51.442   21.731 23.68515 32.52844 
1 1 1  -21   25   39 o   49.724   14.375  -7.4600   7.7130   16.743   11.588 -26.7112   10.335   69.990   24.655   29.458   14.790 40.53174 28.75066 
1 1 1  -21   25   40 o   87.285   24.843   26.756   12.279   0.0000   0.0000   26.756   12.279  ?   ?    87.285   24.843      ?      ? 
1 1 1  -21   25   43 o   81.792   20.870   28.278   12.274   16.484   16.148   44.414   18.887   65.883   27.418   97.700   31.472 -31.81706 41.74037 
1 1 1  -21   25   44 o   41.003   14.024 -11.8157   8.7507  -2.4414   14.673 -16.9901   10.901   48.191   22.554   33.815   16.672 14.37561 28.04744 
1 1 1  -21   25   45 o  147.956   11.506   71.722   8.9600   59.439   13.165   82.322   12.230  132.624   18.369  163.288   13.860 -30.66312 23.01189 
1 1 1  -21   26    2 o  171.020   8.9793   81.131   8.2934   83.669   11.683   78.553   11.775  173.805   12.439  168.235   12.953 5.570297 17.95851 
1 1 1  -21   26    3 o  162.232   16.721   64.338   10.980  100.428   29.002   58.300   11.864  180.258   29.775  144.205   15.225 36.05301 33.44119 
1 1 1  -21   26    4 o  117.938   20.838   48.285   17.033  -1.3851   28.226   76.734   21.362   75.083   33.653  160.792   24.586 -85.70978 41.67680 
1 1 1  -21   26    5 o  119.365   24.657   43.443   16.767   68.514   28.167   29.685   20.866  141.910   36.519   96.820   33.141 45.08989 49.31456 
1 1 1  -21   26    6 o  134.504   23.742   58.648   16.843   66.149   27.288   54.032   21.407  139.697   35.942  129.311   31.032 10.38618 47.48434 
1 1 1  -21   26    7 o   53.674   17.107  -2.5376   8.7238  -2.8400   9.8624  -1.4500   18.703   44.722   19.979   62.627   27.774 -17.90536 34.21307 
1 1 1  -21   26    8 o  147.292   9.9391   60.579   7.9096   59.299   11.092   61.903   11.282  145.699   14.089  148.885   14.023 -3.186752 19.87825 
1 1 1  -21   26    9 o   77.359   15.720   18.100   7.2791   24.526   9.9922   10.834   10.625   90.295   20.893   64.423   23.494 25.87162 31.44038 
1 1 1  -21   26   10 o   39.984   13.171  -7.7690   6.9503  -6.0869   9.4491  -9.7519   10.259   40.460   18.647   39.509   18.607 0.9511375 26.34226 
1 1 1  -21   26   11 o   73.122   15.435   14.611   7.2515   5.0115   9.9153   25.651   10.633   54.315   21.912   91.930   21.745 -37.61552 30.86998 
1 1 1  -21   26   12 o   51.092   15.117   2.5131   6.9450   1.0626   9.1988   4.4359   10.591   47.497   20.276   54.688   22.427 -7.190720 30.23408 
1 1 1  -21   26   13 o  145.185   10.409   59.192   8.0877   70.356   11.716   49.029   11.178  158.642   13.667  131.728   15.704 26.91455 20.81841 
1 1 1  -21   26   14 o   76.656   15.858   17.274   7.3457   10.041   10.155   25.213   10.639   62.368   22.934   90.945   21.908 -28.57728 31.71666 
1 1 1  -21   26   15 o   69.967   16.203   14.059   7.3251   19.307   10.313   8.7142   10.407   79.452   22.818   60.483   23.012 18.96890 32.40679 
1 1 1  -21   26   16 o   81.657   15.635   20.349   7.5575   10.869   10.770   29.545   10.607   64.248   23.620   99.066   20.491 -34.81735 31.26955 
1 1 1  -21   26   17 o  127.783   19.195   49.357   10.025   54.977   24.690   48.247   10.970  125.126   35.095  130.441   15.564 -5.315376 38.39080 
1 1 1  -21   26   18 o  117.825   20.016   39.415   9.8941   53.986   25.375   36.802   10.744  122.613   35.961  113.036   17.591 9.577438 40.03297 
1 1 1  -21   26   19 o   75.910   18.899   17.591   9.4906   19.941   11.277   11.883   17.573   79.908   24.106   71.913   29.114 7.994789 37.79868 
1 1 1  -21   26   20 o  118.882   16.458   46.554   9.5655   52.582   11.720   34.527   16.555  135.698   15.983  102.065   28.776 33.63361 32.91687 
1 1 1  -21   26   21 o   73.792   15.778   16.428   7.1347   22.731   10.111   10.177   10.069   85.680   21.789   61.904   22.826 23.77570 31.55598 
1 1 1  -21   26   22 o   63.106   16.107   10.745   7.2747   5.9096   10.792   14.772   9.8487   56.323   22.811   69.889   22.745 -13.56606 32.21316 
1 1 1  -21   26   23 f  107.853   13.371   34.312   7.6161   37.682   11.342   31.544   10.278  113.478   18.497  102.228   19.313 11.25077 26.74202 
1 1 1  -21   26   24 o   83.922   15.586   22.432   7.2959   17.185   10.706   26.982   9.9694   74.142   23.675   93.703   20.278 -19.56151 31.17184 
1 1 1  -21   26   25 o   79.998   15.510   20.209   7.0168   15.971   9.9986   24.321   9.8496   71.636   22.880   88.361   20.948 -16.72491 31.02085 
1 1 1  -21   26   26 o   64.991   16.389   12.155   7.3154   15.100   10.611   9.4874   10.099   69.936   23.635   60.046   22.711 9.889763 32.77830 
1 1 1  -21   26   27 o  134.014   10.923   50.814   7.8292   60.057   12.154   44.260   10.236  144.132   15.606  123.896   15.289 20.23651 21.84674 
1 1 1  -21   26   28 o  132.801   11.220   50.414   7.9523   62.774   12.014   40.775   10.609  147.519   15.071  118.083   16.627 29.43613 22.44071 
1 1 1  -21   26   29 o   95.441   14.798   28.896   7.6270   20.901   11.027   36.230   10.561   80.105   23.764  110.777   17.642 -30.67230 29.59663 
1 1 1  -21   26   30 o   43.215   14.003  -4.5483   7.3880  -4.8041   10.602  -4.3067   10.301   43.327   19.887   43.104   19.718 0.2230911 28.00564 
1 1 1  -21   26   31 o  103.089   14.364   34.357   7.7198   23.332   11.371   43.784   10.514   83.825   23.924  122.353   15.903 -38.52776 28.72746 
1 1 1  -21   26   32 o  174.550   9.3043   86.838   8.7487   93.072   13.015   81.699   11.817  180.070   13.375  169.029   12.938 11.04065 18.60866 
1 1 1  -21   26   33 o   84.765   16.533   23.938   7.8023   24.964   11.486   23.059   10.632   86.156   23.856   83.374   22.898 2.781830 33.06667 
1 1 1  -21   26   34 o   63.580   16.831   12.194   8.0642   7.0159   12.005   16.452   10.886   56.959   23.667   70.201   23.938 -13.24272 33.66264 
1 1 1  -21   26   35 o  148.749   10.709   66.448   8.4773   61.225   12.762   70.573   11.341  142.057   16.625  155.441   13.502 -13.38347 21.41718 
1 1 1  -21   26   36 o   54.185   15.458   2.0190   7.9453   16.905   11.822 -10.2454   10.730   69.959   24.874   38.412   18.359 31.54698 30.91541 
1 1 1  -21   26   37 o   94.087   14.772   29.917   8.5117   8.8785   12.094   50.565   11.981   58.971   24.050  129.203   17.161 -70.23158 29.54474 
1 1 1  -21   26   38 o   41.887   14.524 -22.0990   11.173 -17.1036   14.550 -29.2793   17.444   42.023   20.402   41.752   20.677 0.2708473 29.04837 
1 1 1  -21   26   41 o   74.349   27.674   23.063   14.869   23.063   14.869   0.0000   0.0000   74.349   27.674  ?   ?       ?      ? 
1 1 1  -21   26   42 o   83.733   17.189   27.959   8.3750   23.981   12.511   31.188   11.273   76.032   25.664   91.433   22.874 -15.40050 34.37833 
1 1 1  -21   26   43 o   52.076   15.592   7.6959   7.8998   1.6322   12.027   12.298   10.477   46.675   21.334   57.478   22.745 -10.80296 31.18450 
1 1 1  -21   27    1 o  164.952   21.492   93.753   17.940   54.887   26.788  125.360   24.158  123.850   37.107  206.054   21.697 -82.20457 42.98455 
1 1 1  -21   27    2 o   60.010   19.857 -14.0799   15.461  -5.6914   25.078 -19.2230   19.636   67.578   30.857   52.443   25.001 15.13552 39.71386 
1 1 1  -21   27    3 f  142.211   22.492   63.917   16.455   83.378   27.285   52.793   20.629  157.820   33.054  126.603   30.512 31.21755 44.98371 
1 1 1  -21   27    4 o  207.899   12.523  120.388   14.069   0.0000   0.0000  120.388   14.069  ?   ?   207.899   12.523      ?      ? 
1 1 1  -21   27    5 o  113.592   12.736   37.810   7.5604   41.555   10.430   33.663   10.975  121.006   15.951  106.178   19.858 14.82703 25.47118 
1 1 1  -21   27    6 o  123.002   11.421   43.252   7.5380   47.668   10.500   38.555   10.829  129.954   14.952  116.049   17.269 13.90514 22.84196 
1 1 1  -21   27    7 o  133.989   15.380   50.825   11.136   0.0000   0.0000   50.825   11.136  ?   ?   133.989   15.380      ?      ? 
1 1 1  -21   27    8 f   76.867   16.033   17.802   7.2033   13.749   9.8234   22.515   10.594   68.383   22.738   85.351   22.610 -16.96774 32.06637 
1 1 1  -21   27    9 o  191.255   12.221  101.920   12.630   0.0000   0.0000  101.920   12.630  ?   ?   191.255   12.221      ?      ? 
1 1 1  -21   27   10 o   71.264   16.424   15.186   7.4307   18.959   10.239   10.988   10.800   78.356   22.805   64.172   23.643 14.18433 32.84894 
1 1 1  -21   27   11 o  149.367   10.141   62.970   8.1793   59.958   11.500   66.053   11.636  145.630   14.613  153.104   14.065 -7.474045 20.28208 
1 1 1  -21   27   12 o  112.647   13.328   37.427   7.9199   39.983   11.177   34.850   11.224  117.715   17.572  107.579   20.045 10.13580 26.65655 
1 1 1  -21   27   13 o  136.271   10.970   52.621   8.0124   62.272   11.723   44.160   10.976  148.333   14.626  124.210   16.353 24.12314 21.93957 
1 1 1  -21   27   14 o   75.042   16.162   17.370   7.1286   17.844   9.5370   16.770   10.731   76.100   21.969   73.984   23.711 2.115952 32.32368 
1 1 1  -21   27   15 o   65.860   15.776   11.043   7.5128   20.759   10.539   1.0044   10.713   81.558   22.947   50.161   21.654 31.39636 31.55121 
1 1 1  -21   27   16 f   56.863   15.744   5.9383   7.3206   0.3508   10.106   12.107   10.619   48.137   20.906   65.588   23.548 -17.45071 31.48870 
1 1 1  -21   27   17 o   58.500   15.937   7.5783   7.3756   2.4700   10.719   12.172   10.165   51.756   21.985   65.245   23.079 -13.48955 31.87497 
1 1 1  -21   27   18 o   65.286   19.855   6.7632   9.9198   4.5360   25.622   7.1559   10.759   72.749   32.373   57.824   22.996 14.92559 39.70914 
1 1 1  -21   27   19 o   85.364   21.046   14.929   9.5979   45.563   23.721   8.9312   10.495  110.764   35.227   59.965   23.039 50.79906 42.09184 
1 1 1  -21   27   20 o   96.800   15.755   19.710   9.4005   1.7301   11.236   61.644   17.160   51.522   22.209  142.079   22.352 -90.55655 31.50960 
1 1 1  -21   27   21 o  129.764   15.476   48.115   9.5008   43.543   11.052   61.059   18.597  122.447   16.703  137.081   26.058 -14.63432 30.95175 
1 1 1  -21   27   22 o  122.467   13.212   46.305   8.1039   31.686   11.681   59.873   11.253  100.169   22.167  144.765   14.385 -44.59615 26.42495 
1 1 1  -21   27   23 o   91.325   15.648   25.853   7.7587   35.802   11.786   18.244   10.307  107.128   21.111   75.522   23.104 31.60545 31.29580 
1 1 1  -21   27   24 o  168.140   9.4931   79.817   8.5881   88.137   12.887   73.171   11.519  175.871   13.560  160.410   13.289 15.46075 18.98613 
1 1 1  -21   27   25 o  126.267   11.455   46.413   7.7970   50.731   11.196   42.348   10.865  132.262   15.665  120.272   16.717 11.98988 22.90996 
1 1 1  -21   27   26 o   91.300   15.569   26.053   7.5914   32.549   11.579   21.155   10.054  101.401   21.782   81.200   22.252 20.20048 31.13848 
1 1 1  -21   27   27 o   81.454   16.549   21.659   7.6726   22.995   11.040   20.412   10.671   83.801   23.454   79.107   23.354 4.694054 33.09840 
1 1 1  -21   27   28 o   57.131   15.727   6.6054   7.5022   14.648   10.728  -1.0913   10.495   68.024   23.738   46.238   20.637 21.78552 31.45396 
1 1 1  -21   27   29 o  131.494   15.415   50.612   10.953   0.0000   0.0000   50.612   10.953  ?   ?   131.494   15.415      ?      ? 
1 1 1  -21   27   30 o  225.131   11.420  143.290   13.893   0.0000   0.0000  143.290   13.893  ?   ?   225.131   11.420      ?      ? 
1 1 1  -21   27   31 o   56.529   16.342   7.4462   7.9189   7.0248   11.456   7.8317   10.958   56.283   23.231   56.775   22.989 -0.4926872 32.68337 
1 1 1  -21   27   32 o  105.397   15.113   36.867   8.3021   34.968   12.007   38.606   11.491  101.707   22.449  109.087   20.240 -7.379959 30.22587 
1 1 1  -21   27   33 o   74.580   15.528   15.437   8.1674   35.667   12.376  -0.1700   10.871  102.377   22.940   46.783   20.933 55.59339 31.05534 
1 1 1  -21   27   34 o   97.864   15.997   32.545   8.8780   19.122   12.485   46.276   12.627   73.816   25.616  121.912   19.168 -48.09645 31.99358 
1 1 1  -21   27   35 o  139.533   16.800   65.629   12.165   73.041   16.660   57.162   17.805  152.152   20.263  126.914   26.803 25.23780 33.60082 
1 1 1  -21   27   36 o   45.531   15.293  -9.5339   10.287  -4.8851   13.671 -15.6013   15.619   47.112   21.957   43.950   21.292 3.161961 30.58516 
1 1 1  -21   27   39 o   43.259   14.734 -10.8590   9.5522 -14.7909   11.947  -3.8896   15.905   37.174   18.146   49.343   23.217 -12.16883 29.46722 
1 1 1  -21   27   40 o   41.655   13.661  -3.8784   7.5733   3.3895   10.687 -11.2088   10.733   47.236   20.969   36.074   17.517 11.16167 27.32288 
1 1 1  -21   28    1 o   31.935   11.104 -19.5779   6.8630 -11.8853   8.9929 -30.3064   10.620   34.359   16.523   29.510   14.840 4.849487 22.20882 
1 1 1  -21   28    2 o   70.624   15.798   13.380   7.1322   6.0872   9.3009   23.789   11.112   54.249   21.442   86.999   23.208 -32.75035 31.59685 
1 1 1  -21   28    3 o   97.498   13.763   27.688   7.0862   22.098   9.3343   35.291   10.886   84.868   20.569  110.129   18.293 -25.26156 27.52690 
1 1 1  -21   28    4 o   37.794   12.633  -9.6803   6.8034 -12.0927   9.3951  -7.0204   9.8651   35.283   16.947   40.305   18.740 -5.022469 25.26637 
1 1 1  -21   28    5 o   95.135   14.485   27.358   7.4183   19.904   10.300   35.392   10.694   79.847   22.763  110.423   17.922 -30.57596 28.97092 
1 1 1  -21   28    6 f  108.837   13.306   35.698   7.4768   43.558   10.432   27.398   10.721  123.507   15.632   94.166   21.537 29.34074 26.61207 
1 1 1  -21   28    7 o   69.669   15.386   14.037   6.9640   22.070   9.8712   6.0779   9.8261   84.335   21.574   55.002   21.944 29.33345 30.77261 
1 1 1  -21   28    8 o   63.050   16.017   11.085   6.9524   10.561   9.7784   11.621   9.8869   62.079   22.554   64.022   22.749 -1.942303 32.03438 
1 1 1  -21   28    9 o   53.945   14.866   2.9296   6.9739  -6.2444   9.4863   13.718   10.287   39.950   18.507   67.941   23.270 -27.99119 29.73184 
1 1 1  -21   28   10 o  117.458   12.840   40.498   7.6581   27.436   10.346   56.323   11.389   94.357   20.848  140.558   14.994 -46.20064 25.68005 
1 1 1  -21   28   11 o   50.739   15.001   3.3114   6.7712   3.3361   8.7269   3.2741   10.733   48.906   20.238   52.571   22.148 -3.664448 30.00192 
1 1 1  -21   28   12 o  103.426   14.101   32.645   7.6544   36.397   10.461   28.320   11.230  111.886   17.302   94.967   22.270 16.91872 28.20124 
1 1 1  -21   28   13 o   68.477   16.281   13.725   7.1427   10.365   9.4716   18.155   10.876   61.133   22.199   75.821   23.822 -14.68739 32.56219 
1 1 1  -21   28   14 o   98.699   14.839   30.279   7.6784   26.570   10.856   33.993   10.862   91.805   22.140  105.592   19.764 -13.78684 29.67762 
1 1 1  -21   28   15 o   68.633   16.390   13.390   7.6995   5.8637   10.718   21.417   11.068   55.601   22.654   81.664   23.693 -26.06378 32.77994 
1 1 1  -21   28   16 o  108.572   13.962   35.704   8.0126   33.576   11.329   37.833   11.334  104.050   20.875  113.093   18.547 -9.043304 27.92410 
1 1 1  -21   28   17 o  143.360   10.413   58.868   8.0604   57.335   11.140   60.551   11.677  141.491   14.570  145.229   14.880 -3.737457 20.82547 
1 1 1  -21   28   18 o   59.456   22.771   9.1789   10.232   9.1789   10.232   0.0000   0.0000   59.456   22.771  ?   ?       ?      ? 
1 1 1  -21   28   19 o   57.103   17.758   3.2220   9.7167 -16.4369   23.254   7.3805   10.695   56.961   27.169   57.245   22.875 -0.2844734 35.51678 
1 1 1  -21   28   20 o   69.368   20.352   11.003   9.6943   13.908   25.930   10.532   10.452   77.058   33.476   61.678   23.154 15.37937 40.70338 
1 1 1  -21   28   21 o   72.207   19.216   11.407   9.7423   4.2196   11.577   28.851   18.035   54.450   22.974   89.965   30.811 -35.51535 38.43296 
1 1 1  -21   28   22 f   96.915   16.434   34.574   9.0329   43.238   10.867   15.209   16.247  121.605   16.538   72.226   28.405 49.37891 32.86872 
1 1 1  -21   28   23 o   74.878   16.257   16.809   7.7799   27.978   11.623   7.7424   10.472   92.533   23.268   57.223   22.709 35.30935 32.51314 
1 1 1  -21   28   24 o  103.076   14.534   33.878   7.9596   19.519   11.042   49.408   11.484   76.687   23.989  129.464   16.416 -52.77701 29.06795 
1 1 1  -21   28   25 o   67.050   16.559   13.828   7.8532   6.6009   11.536   20.070   10.721   56.479   23.312   77.621   23.524 -21.14251 33.11843 
1 1 1  -21   28   26 o   52.885   15.219  -0.4683   7.9401   15.245   11.654 -14.0807   10.847   68.940   24.678   36.830   17.818 32.11079 30.43787 
1 1 1  -21   28   27 o  184.879   8.9507   97.878   8.9331   97.109   12.885   98.589   12.396  183.925   12.965  185.833   12.344 -1.907990 17.90146 
1 1 1  -21   28   28 o   46.137   14.725  -1.3105   7.7814  -1.1013   10.645  -1.5507   11.404   45.661   20.550   46.612   21.096 -0.9509201 29.45087 
1 1 1  -21   28   29 o   61.654   16.773   11.401   7.9856   15.729   11.613   7.5180   10.999   67.765   24.585   55.542   22.825 12.22322 33.54694 
1 1 1  -21   28   30 o   58.184   15.851   5.8091   8.3216  -8.6475   11.930   19.507   11.613   41.937   19.846   74.431   24.722 -32.49428 31.70224 
1 1 1  -21   28   31 o   60.177   17.443   7.8005   10.042   16.453   12.445  -8.3446   17.001   69.696   25.425   50.658   23.887 19.03782 34.88583 
1 1 1  -21   28   32 o  114.666   18.199   48.235   11.515   62.117   15.516   31.216   17.180  140.043   20.504   89.289   30.073 50.75415 36.39794 
1 1 1  -21   28   33 o   98.095   19.391   36.570   10.624   36.036   14.082   37.275   16.186   98.949   25.999   97.241   28.778 1.708282 38.78296 
1 1 1  -21   28   34 o   50.235   16.511  -0.3489   10.873   3.0045   14.281  -4.9730   16.770   51.558   23.442   48.911   23.257 2.646713 33.02200 
1 1 1  -21   28   36 f   65.130   19.730   12.640   14.568 -21.7027   26.915   26.869   17.325   52.754   26.045   77.506   29.643 -24.75180 39.45915 
1 1 1  -21   28   37 o   48.474   15.789  -5.2259   9.6622 -17.3445   12.468   12.995   15.288   36.380   17.916   60.568   26.005 -24.18746 31.57892 
1 1 1  -21   28   38 o   45.096   14.460  -0.5936   7.9409   8.0259   11.352  -8.8519   11.112   52.325   22.436   37.868   18.249 14.45693 28.92052 
1 1 1  -21   29    1 o  144.275   10.444   59.554   8.0842   58.666   10.784   60.692   12.215  143.522   13.905  145.027   15.587 -1.505692 20.88766 
1 1 1  -21   29    2 o  112.414   16.431   36.718   9.9811   36.718   9.9811   0.0000   0.0000  112.414   16.431  ?   ?       ?      ? 
1 1 1  -21   29    3 o  133.230   10.966   51.147   7.8899   50.236   10.942   52.134   11.387  132.090   15.330  134.369   15.683 -2.279022 21.93110 
1 1 1  -21   29    4 o  102.286   21.309   32.692   11.396   0.0000   0.0000   32.692   11.396  ?   ?   102.286   21.309      ?      ? 
1 1 1  -21   29    5 o  127.091   12.223   47.711   7.9989   36.152   11.023   60.568   11.625  108.864   19.452  145.318   14.805 -36.45406 24.44521 
1 1 1  -21   29    6 o  220.739   7.9399  136.445   9.4406  137.830   12.894  134.844   13.861  222.274   10.735  219.204   11.702 3.069946 15.87984 
1 1 1  -21   29    7 o   82.475   15.492   22.001   7.0841   24.892   9.3674   18.139   10.827   89.664   19.857   75.287   23.784 14.37679 30.98385 
1 1 1  -21   29    8 o   59.390   16.092   9.0650   7.1964   8.5170   9.6739   9.7440   10.768   57.837   22.143   60.944   23.356 -3.107346 32.18407 
1 1 1  -21   29    9 o  145.800   10.476   60.735   8.2261   54.749   11.184   67.791   12.142  137.905   15.008  153.695   14.620 -15.79073 20.95185 
1 1 1  -21   29   10 o  111.405   13.626   38.392   7.8109   46.544   10.799   29.446   11.311  126.699   15.773   96.112   22.223 30.58723 27.25219 
1 1 1  -21   29   11 o  203.277   12.206  116.581   13.407   0.0000   0.0000  116.581   13.407  ?   ?   203.277   12.206      ?      ? 
1 1 1  -21   29   12 o   83.917   16.136   22.747   7.5482   19.957   10.616   25.600   10.734   78.496   23.324   89.338   22.304 -10.84210 32.27192 
1 1 1  -21   29   13 o  150.293   10.140   64.830   8.2027   57.984   11.501   71.917   11.702  141.794   15.010  158.792   13.638 -16.99736 20.28069 
1 1 1  -21   29   14 o   74.057   16.667   17.548   7.4440   17.470   9.7068   17.660   11.599   74.008   22.374   74.105   24.711 -0.9709167E-01 33.33478 
1 1 1  -21   29   15 o  112.570   14.233   39.923   8.1858   55.056   11.598   24.900   11.555  137.872   15.567   87.268   23.832 50.60379 28.46591 
1 1 1  -21   29   16 o   45.029   14.384  -2.9645   7.4943  -0.8150   10.347  -5.3365   10.869   46.603   20.663   43.455   20.017 3.147686 28.76857 
1 1 1  -21   29   17 o   70.939   17.411   15.950   8.1965   17.587   11.216   14.073   12.007   73.758   24.286   68.120   24.955 5.637535 34.82166 
1 1 1  -21   29   18 o  174.421   9.7602   87.313   9.1934   86.291   13.180   88.281   12.830  173.220   14.081  175.622   13.519 -2.401428 19.52039 
1 1 1  -21   29   19 f   85.653   16.930   24.556   8.1512   23.198   11.555   25.900   11.500   83.112   24.236   88.195   23.647 -5.083611 33.86063 
1 1 1  -21   29   20 o   85.645   21.352   22.099   10.266   39.505   23.378   17.941   11.426   97.788   34.957   73.501   24.527 24.28655 42.70306 
1 1 1  -21   29   21 o   74.783   18.650   19.949   10.213  -2.9414   23.223   25.437   11.372   62.354   28.910   87.213   23.570 -24.85958 37.30050 
1 1 1  -21   29   22 o   51.168   16.440  -1.6324   9.2270  -2.1689   11.125  -0.4500   16.516   46.195   20.879   56.141   25.401 -9.945557 32.88028 
1 1 1  -21   29   23 o   51.182   16.253  -6.3391   8.4991 -13.6112   9.9659   13.056   16.276   34.882   16.924   67.482   27.753 -32.60084 32.50603 
1 1 1  -21   29   24 o  133.485   12.518   54.712   9.0035   57.759   12.581   51.514   12.890  138.032   16.868  128.939   18.501 9.092560 25.03588 
1 1 1  -21   29   25 o   54.911   15.523   4.7679   7.8981   15.876   11.032  -6.9105   11.312   68.029   24.046   41.793   19.638 26.23584 31.04600 
1 1 1  -21   29   26 o   68.697   17.874   15.921   8.8077   12.636   12.314   19.363   12.603   63.676   24.819   73.717   25.728 -10.04035 35.74852 
1 1 1  -21   29   27 o  184.136   12.865  105.836   12.311  134.347   17.328   76.779   17.494  213.175   15.043  155.096   20.873 58.07906 25.72906 
1 1 1  -21   29   28 o  102.894   19.427   38.321   10.974   34.189   14.706   43.514   16.484   96.852   27.056  108.935   27.885 -12.08289 38.85380 
1 1 1  -21   29   29 o   78.764   19.965   23.155   10.733   21.811   14.344   24.865   16.178   77.000   27.397   80.528   29.048 -3.527229 39.92971 
1 1 1  -21   29   30 f   48.870   16.144  -3.7905   10.214  -5.1712   12.978  -1.5432   16.557   45.249   21.188   52.492   24.363 -7.242409 32.28814 
1 1 1  -21   29   31 o   95.760   19.485   40.038   10.863   44.932   14.697   34.144   16.129  106.037   25.878   85.482   29.138 20.55573 38.96984 
1 1 1  -21   29   32 o   45.745   20.936  -0.4426   11.632   0.0000   0.0000  -0.4426   11.632  ?   ?    45.745   20.936      ?      ? 
1 1 1  -21   29   33 o   67.113   20.471   16.236   14.635  -1.2586   24.371   26.104   18.303   58.257   27.795   75.968   30.062 -17.71149 40.94233 
1 1 1  -21   29   34 o   76.074   21.409   30.354   14.243   18.579   25.756   35.541   17.094   66.128   30.584   86.019   29.967 -19.89179 42.81864 
1 1 1  -21   29   35 o   87.592   19.497   35.134   10.223   34.757   12.612   35.856   17.457   92.400   24.758   82.785   30.126 9.615021 38.99407 
1 1 1  -21   30    1 o  181.924   13.009   94.073   12.789   0.0000   0.0000   94.073   12.789  ?   ?   181.924   13.009      ?      ? 
1 1 1  -21   30    2 f  152.157   10.322   67.423   8.2921   82.931   11.724   51.901   11.730  171.030   12.686  133.285   16.286 37.74518 20.64371 
1 1 1  -21   30    3 o   97.384   14.902   29.878   7.5892   29.573   10.271   30.245   11.262   97.386   20.182   97.382   21.930 0.3150940E-02 29.80325 
1 1 1  -21   30    4 o   70.249   16.340   14.872   7.4508   8.9316   10.124   21.891   11.005   58.709   22.610   81.788   23.595 -23.07878 32.67931 
1 1 1  -21   30    5 o   53.684   15.075   3.7137   7.3704   13.070   10.065  -7.1067   10.823   65.528   22.985   41.841   19.513 23.68778 30.15034 
1 1 1  -21   30    6 o  126.612   11.688   46.862   7.8268   35.561   10.716   59.786   11.460  109.256   18.150  143.968   14.730 -34.71211 23.37555 
1 1 1  -21   30    7 o   99.872   14.723   31.514   7.7552   34.358   10.351   27.875   11.710  107.512   17.817   92.231   23.444 15.28075 29.44614 
1 1 1  -21   30    8 o  154.079   10.103   68.377   8.3772   68.665   11.372   68.036   12.387  154.887   13.588  153.270   14.956 1.616669 20.20676 
1 1 1  -21   30    9 o  102.151   15.238   33.430   8.1114   34.652   10.935   31.934   12.095  105.413   19.927   98.889   23.059 6.524536 30.47638 
1 1 1  -21   30   10 o   92.537   15.816   27.625   8.0676   18.161   11.007   38.611   11.859   74.265   24.036  110.808   20.563 -36.54308 31.63188 
1 1 1  -21   30   11 o   59.983   15.547   9.7333   7.2663   16.073   9.3997   0.3186   11.454   70.569   22.142   49.397   21.829 21.17268 31.09327 
1 1 1  -21   30   12 o   81.662   15.502   21.138   7.5588   10.685   10.314   33.267   11.110   61.040   22.983  102.283   20.809 -41.24377 31.00409 
1 1 1  -21   30   13 o   55.586   15.922   6.5016   7.6121   10.278   10.459   2.2484   11.100   60.464   23.054   50.708   21.966 9.755966 31.84329 
1 1 1  -21   30   14 o   45.665   14.173  -0.9653   7.1036   4.8950   9.2241  -9.5062   11.136   50.931   20.913   40.399   19.135 10.53192 28.34608 
1 1 1  -21   30   15 o   83.019   15.306   22.192   7.6432   10.115   10.619   35.174   11.009   60.303   23.174  105.735   20.002 -45.43116 30.61179 
1 1 1  -21   30   16 o   90.294   16.393   27.141   8.0738   23.756   11.222   30.773   11.625   83.961   23.699   96.628   22.657 -12.66605 32.78684 
1 1 1  -21   30   17 o   55.969   15.953   5.8606   7.9394   13.563   11.114  -2.1667   11.346   65.549   24.009   46.389   21.015 19.16011 31.90698 
1 1 1  -21   30   18 o   98.208   16.239   32.589   8.4952   36.912   12.128   28.425   11.904  105.700   21.951   90.717   23.936 14.98282 32.47711 
1 1 1  -21   30   19 o   44.645   14.397  -2.4472   7.6461  -3.0241   10.303  -1.7399   11.408   43.042   19.701   46.249   20.999 -3.206963 28.79359 
1 1 1  -21   30   20 o   49.882   15.447   1.4453   8.1520   6.9685   11.497  -4.1383   11.560   55.380   23.099   44.385   20.515 10.99480 30.89370 
1 1 1  -21   30   21 o   81.187   22.928   21.159   13.571   46.869   26.925   12.403   15.713   97.207   37.008   65.168   27.078 32.03895 45.85593 
1 1 1  -21   30   22 o   60.060   25.999   7.0383   15.529   0.0000   0.0000   7.0383   15.529  ?   ?    60.060   25.999      ?      ? 
1 1 1  -21   30   23 o   37.678   18.532 -21.2613   13.203 -21.2613   13.203   0.0000   0.0000   37.678   18.532  ?   ?       ?      ? 
1 1 1  -21   30   24 o   89.363   24.909   28.063   12.479   28.063   12.479   0.0000   0.0000   89.363   24.909  ?   ?       ?      ? 
1 1 1  -21   30   25 o   67.832   18.551   10.421   10.402  -2.0811   13.386   29.482   16.528   49.238   22.506   86.427   29.496 -37.18982 37.10186 
1 1 1  -21   30   26 o   70.106   18.706   18.633   9.7505   20.480   12.782   16.063   15.079   73.302   25.886   66.911   27.012 6.390541 37.41292 
1 1 1  -21   30   27 o   75.111   18.209   23.539   9.0769   19.241   13.003   27.624   12.677   68.305   25.787   81.917   25.716 -13.61262 36.41776 
1 1 1  -21   30   28 o   52.368   16.136   6.1041   8.5786   3.0288   11.654   9.7409   12.674   48.499   21.689   56.238   23.898 -7.738979 32.27271 
1 1 1  -21   30   29 o   64.242   17.047   14.094   8.3998   6.9608   11.583   22.008   12.200   53.567   22.807   74.917   25.342 -21.35064 34.09351 
1 1 1  -21   30   30 o   53.680   17.266   3.0881   11.177 -21.7342   24.482   9.6233   12.562   50.292   24.831   57.067   23.997 -6.774952 34.53154 
1 1 1  -21   30   31 o   62.857   20.194   12.877   14.785   29.527   23.151   1.4063   19.215   72.151   31.484   53.563   25.299 18.58762 40.38882 
1 1 1  -21   30   32 f   60.046   19.729   10.568   14.583   26.712   24.597   1.8164   18.110   67.932   30.840   52.161   24.613 15.77122 39.45784 
1 1 1  -21   31    1 o   96.593   14.699   32.510   7.7911   44.535   10.308   16.486   11.899  122.839   15.529   70.346   24.962 52.49266 29.39792 
1 1 1  -21   31    2 o  136.224   11.503   55.277   8.4111   56.074   11.341   54.302   12.539  138.113   15.196  134.335   17.274 3.778168 23.00664 
1 1 1  -21   31    3 o   79.454   15.533   22.075   7.5514   29.702   9.7859   10.848   11.873   96.993   19.349   61.914   24.304 35.07845 31.06547 
1 1 1  -21   31    4 o   69.903   15.536   15.377   7.5943   25.675   10.303   3.1284   11.237   88.314   21.737   51.491   22.203 36.82279 31.07219 
1 1 1  -21   31    5 o  166.676   9.7324   79.505   8.6667   64.811   11.625   97.891   13.004  148.987   14.439  184.365   13.053 -35.37877 19.46479 
1 1 1  -21   31    6 o   54.407   15.823   6.2663   7.5854   8.9419   10.021   2.6758   11.608   57.384   22.383   51.430   22.371 5.954014 31.64586 
1 1 1  -21   31    7 o  100.361   15.393   33.129   8.1054   31.807   11.276   34.541   11.659   98.190   21.818  102.532   21.720 -4.341553 30.78574 
1 1 1  -21   31    8 f   47.376   14.606  -0.7471   7.5627   7.5238   10.390 -10.0681   11.030   55.429   22.406   39.322   18.743 16.10714 29.21189 
1 1 1  -21   31    9 o   76.525   16.248   20.080   7.7279   27.634   10.769   12.059   11.096   90.633   22.171   62.418   23.759 28.21537 32.49689 
1 1 1  -21   31   10 f   66.234   15.892   13.452   7.9205   23.884   10.692   0.7634   11.791   83.228   23.005   49.239   21.933 33.98948 31.78478 
1 1 1  -21   31   11 o   43.846   14.167  -4.3492   7.8215   2.4921   10.555 -12.6795   11.648   48.964   21.315   38.728   18.669 10.23586 28.33492 
1 1 1  -21   31   12 o   41.378   13.618  -7.9980   7.7771   1.0932   10.720 -18.0996   11.300   47.680   21.092   35.077   17.231 12.60288 27.23515 
1 1 1  -21   31   13 o   37.153   12.626 -11.0134   7.3589  -9.9003   9.8122 -12.4444   11.125   36.532   17.486   37.774   18.218 -1.241467 25.25220 
1 1 1  -21   31   14 o   68.260   18.109   14.107   9.0069   8.1695   11.446   23.761   14.596   57.029   23.343   79.490   27.691 -22.46083 36.21705 
1 1 1  -21   31   15 o   57.207   17.311   5.5881   9.5696   1.1002   12.907   11.068   14.261   51.364   22.908   63.049   25.960 -11.68451 34.62213 
1 1 1  -21   31   16 o   91.400   17.972   30.818   10.243   43.919   13.934   15.412   15.110  114.020   23.399   68.781   27.284 45.23889 35.94356 
1 1 1  -21   31   17 o   65.550   18.844   11.225   10.484   5.0923   13.699   19.899   16.291   56.459   24.429   74.641   28.697 -18.18190 37.68744 
1 1 1  -21   31   18 o  133.762   15.607   57.687   11.004   51.712   14.763   65.158   16.506  124.968   22.697  142.555   21.428 -17.58759 31.21425 
1 1 1  -21   31   19 o   88.448   17.366   29.750   10.264   43.311   13.131   8.4572   16.454  114.581   22.009   62.315   26.869 52.26594 34.73189 
1 1 1  -21   31   20 o   63.618   18.203   9.6373   10.196  -0.1385   13.662   21.926   15.317   51.031   23.094   76.205   28.142 -25.17469 36.40510 
1 1 1  -21   31   21 o   90.536   19.634   33.437   10.688   36.509   14.046   29.212   16.474   98.103   26.057   82.968   29.378 15.13522 39.26838 
1 1 1  -21   31   22 o   40.297   19.313  -8.8424   12.059   0.0000   0.0000  -8.8424   12.059  ?   ?    40.297   19.313      ?      ? 
1 1 1  -21   31   23 o   50.566   16.828   0.2969   10.901  -6.6509   22.386   2.4564   12.481   52.445   25.427   48.687   22.050 3.757786 33.65599 
1 1 1  -21   31   24 o   42.863   14.404  -6.9935   9.0544  -0.8000   10.623 -23.4459   17.313   44.027   20.095   41.699   20.642 2.327545 28.80833 
1 1 1  -21   31   25 o   65.884   17.465   15.891   9.9149   24.782   12.017  -3.0698   17.549   79.998   25.025   51.770   24.368 28.22793 34.92915 
1 1 1  -21   31   26 o  130.286   18.510   55.432   13.031   0.0000   0.0000   55.432   13.031  ?   ?   130.286   18.510      ?      ? 
1 1 1  -21   31   27 o   44.319   14.233  -6.8762   8.1741 -22.4986   11.171   11.127   11.992   31.670   15.823   56.968   23.662 -25.29826 28.46501 
1 1 1  -21   31   28 o   88.338   23.191   42.645   15.379   72.342   24.622   23.649   19.693  109.106   35.985   67.570   29.264 41.53618 46.38220 
1 1 1  -21   32    1 o   66.477   17.706   14.327   8.7834   16.932   11.269   10.295   14.020   70.591   24.346   62.363   25.715 8.228680 35.41216 
1 1 1  -21   32    2 o   68.531   17.194   15.911   8.4828   20.696   10.622   7.4842   14.095   77.710   23.385   59.353   25.212 18.35725 34.38722 
1 1 1  -21   32    3 o   73.005   17.420   18.930   8.7816   24.347   10.931   9.0721   14.747   84.387   23.235   61.624   25.961 22.76318 34.84018 
1 1 1  -21   32    4 o   91.520   17.808   27.204   9.1597   17.957   11.519   43.108   15.106   72.284   24.624  110.757   25.731 -38.47369 35.61518 
1 1 1  -21   32    5 f  138.109   13.379   58.038   9.8477   53.063   12.731   65.450   15.539  131.816   17.873  144.401   19.914 -12.58418 26.75823 
1 1 1  -21   32    6 o   90.204   18.539   29.102   9.6702   23.941   13.290   34.910   14.098   81.441   26.417   98.967   26.018 -17.52602 37.07779 
1 1 1  -21   32    7 o   92.686   17.605   29.175   9.8844   14.268   13.314   47.477   14.753   66.907   25.883  118.464   23.872 -51.55712 35.21083 
1 1 1  -21   32    8 o   77.396   18.803   21.690   10.068   27.995   13.228   13.009   15.521   88.339   25.980   66.454   27.189 21.88458 37.60614 
1 1 1  -21   32    9 o   71.864   18.694   17.505   10.408   25.495   13.504   5.8153   16.334   83.754   26.573   59.973   26.300 23.78096 37.38719 
1 1 1  -21   32   10 o   42.204   14.403 -14.2446   9.5200 -16.5901   12.260 -10.6824   15.109   38.013   18.517   46.395   22.065 -8.382168 28.80579 
1 1 1  -21   32   11 o   89.480   19.000   30.155   10.185   35.068   13.662   24.009   15.281   99.257   25.375   79.703   28.286 19.55415 37.99998 
1 1 1  -21   32   12 o   49.244   15.711  -0.9255   9.1050   4.5248   11.493 -10.1126   14.921   52.486   22.541   46.002   21.892 6.483547 31.42264 
1 1 1  -21   32   13 o   55.475   17.124   5.0113   9.6460   1.9158   12.885   8.9572   14.548   51.217   22.862   59.734   25.499 -8.516582 34.24755 
1 1 1  -21   32   14 o   59.371   17.012   9.5460   8.9431   18.376   12.912   1.4029   12.399   69.457   25.801   49.285   22.180 20.17222 34.02378 
1 1 1  -21   32   15 o   65.281   17.721   16.002   8.8723   20.955   13.009   11.695   12.131   71.591   26.013   58.970   24.072 12.62088 35.44241 
1 1 1  -21   32   16 o   69.171   17.588   19.535   8.4656   21.735   11.616   17.043   12.364   73.143   24.728   65.199   25.017 7.944366 35.17529 
1 1 1  -21   32   17 o   82.688   16.452   27.100   8.4514   38.255   11.771   15.228   12.142  102.736   21.873   62.639   24.581 40.09687 32.90406 
1 1 1  -21   32   18 o  102.672   23.132   38.643   12.526   0.0000   0.0000   38.643   12.526  ?   ?   102.672   23.132      ?      ? 
1 1 1  -21   32   19 o   62.061   17.385   13.458   8.6308   12.767   11.633   14.303   12.872   60.926   24.012   63.197   25.147 -2.271130 34.76950 
1 1 1  -21   32   20 o   45.048   14.523  -1.2942   7.9650   2.8229   10.610  -6.6115   12.057   47.890   21.094   42.206   19.967 5.683990 29.04528 
1 1 1  -21   32   21 o   56.032   15.163   3.4510   8.3961   22.954   11.597 -18.0324   12.172   76.281   24.670   35.782   17.637 40.49900 30.32626 
1 1 1  -21   32   22 o   69.109   16.343   16.386   7.9249   5.6828   10.340   31.623   12.337   49.476   21.316   88.742   24.779 -39.26637 32.68591 
1 1 1  -21   32   23 o   63.100   19.440   15.701   10.901   24.572   24.015   13.398   12.235   67.101   30.467   59.100   24.155 8.001812 38.88095 
1 1 1  -21   33    1 o   45.924   14.642   0.8993   7.6083  -1.6613   10.066   4.3119   11.621   42.020   19.321   49.829   22.005 -7.808506 29.28347 
1 1 1  -21   33    2 f   45.983   14.712  -0.0225   7.8119  -4.6511   10.326   6.1717   11.945   39.980   18.778   51.987   22.652 -12.00726 29.42338 
1 1 1  -21   33    3 o   57.270   16.550   10.871   8.2776   13.890   11.049   7.0099   12.497   61.231   23.609   53.310   23.200 7.921013 33.09988 
1 1 1  -21   33    4 o   82.458   16.962   25.890   8.1862   18.983   10.929   34.716   12.355   69.563   23.977   95.353   23.997 -25.79028 33.92315 
1 1 1  -21   33    5 o   47.403   14.807  -0.6953   7.8509 -10.2444   10.482   11.506   11.849   36.532   17.636   58.274   23.789 -21.74120 29.61337 
1 1 1  -21   33    6 o   57.828   16.247   10.311   7.6692   5.4799   10.136   16.781   11.730   49.767   21.265   65.890   24.569 -16.12336 32.49350 
1 1 1  -21   33    7 o   47.066   14.964   0.2746   8.2809   6.5268   11.195  -7.2801   12.306   52.256   22.339   41.877   19.916 10.37856 29.92781 
1 1 1  -21   33    8 o   52.315   15.888   5.8362   8.0046   3.3042   10.561   9.2546   12.271   48.149   21.130   56.482   23.732 -8.332607 31.77588 
1 1 1  -21   33    9 o   55.157   15.955   5.8774   8.1760  -3.9061   11.070   17.619   12.127   42.443   19.773   67.871   25.046 -25.42862 31.91044 
1 1 1  -21   33   10 o   72.663   17.329   20.253   8.0565   20.892   10.434   19.309   12.679   74.998   23.295   70.328   25.662 4.669128 34.65839 
1 1 1  -21   33   11 o   72.380   17.499   19.731   8.2382   16.062   11.014   24.392   12.412   65.996   23.942   78.764   25.528 -12.76733 34.99862 
1 1 1  -21   33   12 o   54.422   16.238   6.9621   8.3187   2.0421   11.404   12.558   12.162   48.130   21.494   60.714   24.347 -12.58399 32.47692 
1 1 1  -21   33   13 o   45.746   14.710  -0.8550   7.8746  -4.8776   10.333   4.7182   12.162   40.160   18.838   51.333   22.598 -11.17308 29.41999 
1 1 1  -21   33   14 o   44.854   14.369  -0.1956   7.7324   4.5663   10.185  -6.6751   11.880   48.475   21.020   41.233   19.597 7.242271 28.73819 
1 1 1  -21   33   15 o   47.004   14.756   1.9928   7.5096  -2.8573   9.9386   8.4465   11.465   40.431   18.802   53.576   22.747 -13.14561 29.51229 
1 1 1  -21   33   16 o   59.000   16.628   13.171   7.9674   13.837   10.448   12.245   12.317   60.100   23.012   57.899   24.008 2.200981 33.25561 
1 1 1  -21   33   17 f   68.773   17.235   19.816   7.9937   19.396   10.698   20.346   12.028   68.751   23.721   68.795   25.010 -0.4399109E-01 34.47022 
1 1 1  -20    0    1 o  289.525   4.4475  226.847   9.8297  226.847   9.8297  226.847   9.8297  289.525   6.2897  289.525   6.2897 0.000000 0.000000 
1 1 1  -20    0    2 o  152.058   4.0182   62.743   4.6544   62.743   4.6544   62.743   4.6544  152.058   5.6825  152.058   5.6825 0.000000 0.000000 
1 1 1  -20    0    3 o  129.394   4.1974   45.529   4.1306   45.529   4.1306   45.529   4.1306  129.394   5.9361  129.394   5.9361 0.000000 0.000000 
1 1 1  -20    0    4 o   22.429   9.4916   1.3924   2.8983   1.3924   2.8983   1.3924   2.8983   22.429   13.423   22.429   13.423 0.000000 0.000000 
1 1 1  -20    0    5 o  114.290   4.5135   35.629   3.9140   35.629   3.9140   35.629   3.9140  114.290   6.3831  114.290   6.3831 0.000000 0.000000 
1 1 1  -20    0    6 o  222.009   4.1022  133.463   6.9489  133.463   6.9489  133.463   6.9489  222.009   5.8014  222.009   5.8014 0.000000 0.000000 
1 1 1  -20    0   10 o  326.900   4.8821  289.180   12.184  289.180   12.184  289.180   12.184  326.900   6.9044  326.900   6.9044 0.000000 0.000000 
1 1 1  -20    0   11 o  1135.19   13.617  3490.77  118.052  3490.77  118.052  3490.77  118.052  1135.19   19.257  1135.19   19.257 0.000000 0.000000 
1 1 1  -20    0   12 o  261.560   4.4725  185.200   8.9278  185.200   8.9278  185.200   8.9278  261.560   6.3250  261.560   6.3250 0.000000 0.000000 
1 1 1  -20    0   13 o  374.502   5.3092  379.486   15.181  379.486   15.181  379.486   15.181  374.502   7.5083  374.502   7.5083 0.000000 0.000000 
1 1 1  -20    0   14 o  531.531   6.8579  764.393   27.835  764.393   27.835  764.393   27.835  531.531   9.6985  531.531   9.6985 0.000000 0.000000 
1 1 1  -20    0   15 o  205.295   4.3892  114.201   6.8718  114.201   6.8718  114.201   6.8718  205.295   6.2073  205.295   6.2073 0.000000 0.000000 
1 1 1  -20    0   16 o  284.963   4.7807  219.809   10.397  219.809   10.397  219.809   10.397  284.963   6.7609  284.963   6.7609 0.000000 0.000000 
1 1 1  -20    0   17 o  1515.55   18.059  6226.96  209.018  6226.96  209.018  6226.96  209.018  1515.55   25.539  1515.55   25.539 0.000000 0.000000 
1 1 1  -20    0   18 o  140.617   5.3775   53.904   5.7400   53.904   5.7400   53.904   5.7400  140.617   7.6050  140.617   7.6050 0.000000 0.000000 
1 1 1  -20    0   19 o  600.090   7.6260  974.379   34.946  974.379   34.946  974.379   34.946  600.090   10.785  600.090   10.785 0.000000 0.000000 
1 1 1  -20    0   20 o  766.314   9.4543  1589.30   55.328  1589.30   55.328  1589.30   55.328  766.314   13.370  766.314   13.370 0.000000 0.000000 
1 1 1  -20    0   21 o  412.142   5.8357  459.626   18.363  459.626   18.363  459.626   18.363  412.142   8.2529  412.142   8.2529 0.000000 0.000000 
1 1 1  -20    0   22 o  258.341   5.0685  180.777   9.9889  180.777   9.9889  180.777   9.9889  258.341   7.1679  258.341   7.1679 0.000000 0.000000 
1 1 1  -20    0   23 o  219.824   5.1376  131.018   8.6092  131.018   8.6092  131.018   8.6092  219.824   7.2657  219.824   7.2657 0.000000 0.000000 
1 1 1  -20    0   24 f  592.801   7.6472  950.950   34.617  950.950   34.617  950.950   34.617  592.801   10.815  592.801   10.815 0.000000 0.000000 
1 1 1  -20    0   25 o  163.999   6.3252   73.345   7.8733   73.345   7.8733   73.345   7.8733  163.999   8.9452  163.999   8.9452 0.000000 0.000000 
1 1 1  -20    0   26 f  100.627   10.297   29.055   7.4359   29.055   7.4359   29.055   7.4359  100.627   14.562  100.627   14.562 0.000000 0.000000 
1 1 1  -20    0   27 o  162.481   7.0280   72.168   8.6516   72.168   8.6516   72.168   8.6516  162.481   9.9390  162.481   9.9390 0.000000 0.000000 
1 1 1  -20    0   28 o  1150.71   13.881  3588.91  121.981  3588.91  121.981  3588.91  121.981  1150.71   19.630  1150.71   19.630 0.000000 0.000000 
1 1 1  -20    0   29 o   67.919   19.390   17.378   9.8257   17.378   9.8257   17.378   9.8257   67.919   27.422   67.919   27.422 0.000000 0.000000 
1 1 1  -20    0   30 o  158.498   9.8883   69.534   11.763   69.534   11.763   69.534   11.763  158.498   13.984  158.498   13.984 0.000000 0.000000 
1 1 1  -20    0   31 o  554.579   7.5405  832.538   31.930  832.538   31.930  832.538   31.930  554.579   10.664  554.579   10.664 0.000000 0.000000 
1 1 1  -20    0   32 o  933.976   11.462  2363.78   81.753  2363.78   81.753  2363.78   81.753  933.976   16.210  933.976   16.210 0.000000 0.000000 
1 1 1  -20    0   33 o  161.899   8.7698   72.153   10.704   72.153   10.704   72.153   10.704  161.899   12.402  161.899   12.402 0.000000 0.000000 
1 1 1  -20    0   34 o  360.327   6.0693  351.627   16.691  351.627   16.691  351.627   16.691  360.327   8.5832  360.327   8.5832 0.000000 0.000000 
1 1 1  -20    0   35 o  580.040   7.6862  911.149   34.043  911.149   34.043  911.149   34.043  580.040   10.870  580.040   10.870 0.000000 0.000000 
1 1 1  -20    0   36 o  468.392   6.6296  594.144   23.709  594.144   23.709  594.144   23.709  468.392   9.3757  468.392   9.3757 0.000000 0.000000 
1 1 1  -20    0   37 o  659.648   12.015  1182.66   60.477  1182.66   60.477  1182.66   60.477  659.648   16.992  659.648   16.992 0.000000 0.000000 
1 1 1  -20    0   40 o  291.353   5.6801  230.177   12.625  230.177   12.625  230.177   12.625  291.353   8.0328  291.353   8.0328 0.000000 0.000000 
1 1 1  -20    0   41 o  193.327   6.2726  101.801   9.2227  101.801   9.2227  101.801   9.2227  193.327   8.8708  193.327   8.8708 0.000000 0.000000 
1 1 1  -20    0   42 o   33.373   14.678   2.0144   7.5495   2.0144   7.5495   2.0144   7.5495   33.373   20.758   33.373   20.758 0.000000 0.000000 
1 1 1  -20    0   43 o  352.281   5.8805  336.593   15.811  336.593   15.811  336.593   15.811  352.281   8.3163  352.281   8.3163 0.000000 0.000000 
1 1 1  -20    0   44 o  292.015   5.7569  231.423   12.824  231.423   12.824  231.423   12.824  292.015   8.1414  292.015   8.1414 0.000000 0.000000 
1 1 1  -20    0   45 o  483.558   6.7920  634.681   25.076  634.681   25.076  634.681   25.076  483.558   9.6054  483.558   9.6054 0.000000 0.000000 
1 1 1  -20    0   46 o  181.757   6.5596   90.287   9.0569   90.287   9.0569   90.287   9.0569  181.757   9.2767  181.757   9.2767 0.000000 0.000000 
1 1 1  -20    0   47 o  178.309   6.7697   87.018   9.1638   87.018   9.1638   87.018   9.1638  178.309   9.5737  178.309   9.5737 0.000000 0.000000 
1 1 1  -20    0   48 o   23.269   11.480  -6.9757   7.4274  -6.9757   7.4274  -6.9757   7.4274   23.269   16.235   23.269   16.235 0.000000 0.000000 
1 1 1  -20    0   49 o  146.400   7.6698   59.266   8.4725   59.266   8.4725   59.266   8.4725  146.400   10.847  146.400   10.847 0.000000 0.000000 
1 1 1  -20    0   50 o   68.591   16.041   16.633   7.4741   16.633   7.4741   16.633   7.4741   68.591   22.685   68.591   22.685 0.000000 0.000000 
1 1 1  -20    0   51 o  129.235   12.093   48.333   11.360   48.333   11.360   48.333   11.360  129.235   17.102  129.235   17.102 0.000000 0.000000 
1 1 1  -20    0   52 o  232.454   5.7152  147.344   10.125  147.344   10.125  147.344   10.125  232.454   8.0825  232.454   8.0825 0.000000 0.000000 
1 1 1  -20    0   53 o  216.536   5.9979  128.118   9.8905  128.118   9.8905  128.118   9.8905  216.536   8.4823  216.536   8.4823 0.000000 0.000000 
1 1 1  -20    0   54 o   64.174   16.207   15.212   7.2553   15.212   7.2553   15.212   7.2553   64.174   22.921   64.174   22.921 0.000000 0.000000 
1 1 1  -20    0   55 o   43.268   16.729   7.7011   7.8949   7.7011   7.8949   7.7011   7.8949   43.268   23.658   43.268   23.658 0.000000 0.000000 
1 1 1  -20    0   56 o   46.292   16.928   9.1315   7.7088   9.1315   7.7088   9.1315   7.7088   46.292   23.939   46.292   23.939 0.000000 0.000000 
1 1 1  -20    0   57 o  108.734   10.515   34.569   8.2741   34.569   8.2741   34.569   8.2741  108.734   14.871  108.734   14.871 0.000000 0.000000 
1 1 1  -20    0   58 o  144.676   7.9049   58.588   8.6197   58.588   8.6197   58.588   8.6197  144.676   11.179  144.676   11.179 0.000000 0.000000 
1 1 1  -20    0   59 o   51.703   17.942   11.641   8.4290   11.641   8.4290   11.641   8.4290   51.703   25.374   51.703   25.374 0.000000 0.000000 
1 1 1  -20    0   60 o  183.926   7.1390   93.838   9.9651   93.838   9.9651   93.838   9.9651  183.926   10.096  183.926   10.096 0.000000 0.000000 
1 1 1  -20    0   61 o  172.985   7.5099   83.604   9.8419   83.604   9.8419   83.604   9.8419  172.985   10.621  172.985   10.621 0.000000 0.000000 
1 1 1  -20    0   62 o  177.201   7.6307   87.865   10.245   87.865   10.245   87.865   10.245  177.201   10.791  177.201   10.791 0.000000 0.000000 
1 1 1  -20    0   63 o   41.234   17.237   6.7480   9.3458   6.7480   9.3458   6.7480   9.3458   41.234   24.377   41.234   24.377 0.000000 0.000000 
1 1 1  -20    0   66 o   25.642   12.782  -8.4178   9.9439  -8.4178   9.9439  -8.4178   9.9439   25.642   18.077   25.642   18.077 0.000000 0.000000 
1 1 1  -20    1    1 o  510.809   6.5522  705.571   18.085  708.666   25.722  702.544   25.432  511.915   9.2985  509.702   9.2339 2.212616 13.10447 
1 1 1  -20    1    2 o  661.497   8.1905  1183.76   29.274  1193.19   41.763  1174.65   41.045  664.081   11.638  658.912   11.528 5.168640 16.38102 
1 1 1  -20    1    3 f  244.401   4.1561  161.397   5.4873  163.370   7.8670  159.527   7.6578  245.854   5.9217  242.947   5.8331 2.907242 8.312131 
1 1 1  -20    1    4 o  505.516   6.5077  691.049   17.777  690.372   25.166  691.724   25.114  505.268   9.2173  505.764   9.1892 -0.4957275 13.01537 
1 1 1  -20    1    5 o  287.835   4.4839  223.876   6.9732  219.894   9.7673  228.015   9.9586  285.225   6.3372  290.444   6.3452 -5.218811 8.967816 
1 1 1  -20    1    6 f  245.098   5.1286  161.530   6.4302  159.746   7.8874  165.068   11.104  243.111   6.0040  247.086   8.3163 -3.974487 10.25712 
1 1 1  -20    1    7 o  830.866   20.245  1872.97   90.892   0.0000   0.0000  1872.97   90.892  ?   ?   830.866   20.245      ?      ? 
1 1 1  -20    1    9 o  579.921   14.685  910.586   46.017   0.0000   0.0000  910.586   46.017  ?   ?   579.921   14.685      ?      ? 
1 1 1  -20    1   10 o  242.181   5.2882  158.911   6.5516  159.675   8.0681  157.432   11.226  243.058   6.1429  241.303   8.6097 1.755081 10.57649 
1 1 1  -20    1   11 f  618.807   7.7607  1035.73   25.950  1030.84   36.569  1040.68   36.830  617.339   10.962  620.276   10.988 -2.937561 15.52150 
1 1 1  -20    1   12 o  839.575   10.226  1907.69   46.387  1888.14   64.934  1928.06   66.287  835.191   14.388  843.958   14.535 -8.767517 20.45209 
1 1 1  -20    1   13 o  450.245   6.0171  548.003   14.638  552.019   20.865  544.110   20.542  451.868   8.5451  448.622   8.4736 3.246460 12.03412 
1 1 1  -20    1   14 o  1241.12   14.861  4176.82   99.662  4159.42  140.386  4194.51  141.507  1238.52   20.977  1243.72   21.056 -5.197144 29.72128 
1 1 1  -20    1   15 o  783.961   9.6098  1662.91   40.709  1656.59   57.380  1669.32   57.764  782.462   13.571  785.460   13.610 -2.997681 19.21967 
1 1 1  -20    1   16 o  461.258   6.1637  574.827   15.356  563.489   21.348  586.985   22.106  456.549   8.6534  465.966   8.7795 -9.417236 12.32730 
1 1 1  -20    1   17 o  797.960   9.7760  1722.80   42.150  1710.42   59.183  1735.55   60.045  795.055   13.776  800.865   13.875 -5.810608 19.55203 
1 1 1  -20    1   18 o  1006.77   12.150  2744.09   66.079  2787.08   94.964  2703.75   92.005  1014.39   17.325  999.152   17.041 15.24005 24.30092 
1 1 1  -20    1   19 o  927.901   11.257  2331.27   56.439  2320.33   79.455  2342.42   80.184  925.708   15.884  930.094   15.954 -4.386658 22.51304 
1 1 1  -20    1   20 o  475.241   6.3953  610.622   16.423  606.798   23.102  614.528   23.350  473.738   9.0247  476.745   9.0638 -3.006439 12.79051 
1 1 1  -20    1   21 o  172.866   5.5347   80.803   5.1648   80.292   7.4616   81.272   7.1563  172.340   8.0123  173.392   7.6379 -1.052704 11.06948 
1 1 1  -20    1   22 o  989.741   11.985  2653.37   64.099  2662.81   91.024  2644.08   90.280  991.482   16.990  988.000   16.910 3.482727 23.97074 
1 1 1  -20    1   23 o  1258.46   15.102  4295.97  102.682  4343.19  146.902  4250.86  143.583  1265.19   21.487  1251.73   21.228 13.45740 30.20473 
1 1 1  -20    1   24 o  898.514   10.963  2185.76   53.214  2157.40   74.266  2215.69   76.285  892.540   15.398  904.488   15.608 -11.94769 21.92540 
1 1 1  -20    1   25 o  514.106   6.8654  714.788   19.071  710.491   26.795  719.200   27.150  512.542   9.6747  515.670   9.7434 -3.127930 13.73077 
1 1 1  -20    1   26 f  411.572   6.0304  457.481   13.401  472.637   19.426  443.719   18.511  418.065   8.5993  405.079   8.4568 12.98523 12.06089 
1 1 1  -20    1   27 f  114.703   9.0465   35.942   5.5560   39.822   7.6651   31.647   8.0647  121.304   11.694  108.102   13.806 13.20195 18.09290 
1 1 1  -20    1   28 o  566.766   7.4893  868.389   22.924  850.000   31.791  888.310   33.088  560.526   10.496  573.005   10.686 -12.47852 14.97856 
1 1 1  -20    1   29 o  257.696   6.5038  179.587   9.0548  178.195   12.663  181.042   12.953  256.677   9.1299  258.715   9.2652 -2.037933 13.00760 
1 1 1  -20    1   30 o  180.105   10.587   87.777   10.304   87.777   10.304   0.0000   0.0000  180.105   10.587  ?   ?       ?      ? 
1 1 1  -20    1   31 f  155.495   12.553   65.469   10.547   65.469   10.547   0.0000   0.0000  155.495   12.553  ?   ?       ?      ? 
1 1 1  -20    1   32 o  222.888   7.0042  134.335   8.4219  123.876   11.741  145.420   12.087  213.949   10.156  231.827   9.6489 -17.87787 14.00847 
1 1 1  -20    1   33 o  556.313   7.5303  837.158   22.624  817.543   31.346  858.485   32.685  549.527   10.556  563.099   10.742 -13.57172 15.06056 
1 1 1  -20    1   34 o  513.317   7.1100  712.794   19.711  726.141   28.440  700.456   27.343  517.928   10.162  508.706   9.9471 9.222382 14.21992 
1 1 1  -20    1   35 o   98.976   11.891   26.798   6.2123   24.933   8.3007   29.172   9.3667   94.363   16.900  103.589   16.733 -9.226425 23.78233 
1 1 1  -20    1   36 f  229.608   6.2433  142.870   7.7367  146.259   10.760  139.242   11.133  232.444   8.5662  226.773   9.0848 5.671219 12.48653 
1 1 1  -20    1   37 o  417.819   9.1315  472.583   20.584  496.171   30.165  452.027   28.160  427.529   13.057  408.109   12.769 19.41977 18.26307 
1 1 1  -20    1   40 o  331.514   5.8128  297.722   10.410  295.659   14.539  299.893   14.913  330.344   8.1449  332.685   8.2956 -2.340240 11.62565 
1 1 1  -20    1   41 o  375.364   6.0000  381.932   12.168  383.325   17.368  380.588   17.053  376.027   8.5477  374.700   8.4224 1.326263 11.99998 
1 1 1  -20    1   42 o   41.871   12.424  -1.3341   5.2317   4.8008   7.0314  -8.9426   7.8304   49.638   18.908   34.104   16.121 15.53385 24.84764 
1 1 1  -20    1   43 o  118.953   9.3456   39.878   5.6915   25.327   8.0101   54.716   8.0885   96.097   15.425  141.808   10.556 -45.71040 18.69124 
1 1 1  -20    1   44 o  139.450   7.8757   53.102   5.9158   57.498   8.3232   48.615   8.4100  145.350   10.597  133.550   11.654 11.80038 15.75137 
1 1 1  -20    1   45 o   59.525   13.960   9.3340   5.3655   12.052   7.3110   6.1608   7.8990   65.331   19.343   53.719   20.136 11.61121 27.92098 
1 1 1  -20    1   46 o  235.596   5.8053  150.637   7.3794  162.795   10.643  139.380   10.241  244.766   8.0467  226.427   8.3699 18.33844 11.61050 
1 1 1  -20    1   47 o   71.130   12.142   14.086   5.1569   5.3272   7.2316   23.149   7.3558   50.669   19.206   91.590   14.863 -40.92160 24.28490 
1 1 1  -20    1   48 o  307.754   5.6930  257.581   9.4661  252.148   13.277  263.197   13.500  304.449   8.0705  311.058   8.0317 -6.608643 11.38595 
1 1 1  -20    1   49 o  115.686   8.8202   37.111   5.4583   42.853   7.6953   31.297   7.7434  124.936   11.398  106.437   13.463 18.49954 17.64046 
1 1 1  -20    1   50 o  302.353   5.6465  248.980   9.2211  255.271   13.290  243.140   12.805  306.016   8.0369  298.690   7.9335 7.325714 11.29308 
1 1 1  -20    1   51 o  191.087   6.3473  100.305   6.5223  106.971   9.0077   92.958   9.4566  197.927   8.4221  184.246   9.4984 13.68161 12.69452 
1 1 1  -20    1   52 o  118.989   8.5032   39.150   5.4615   37.822   7.5137   40.638   7.9524  116.884   11.896  121.094   12.153 -4.210503 17.00637 
1 1 1  -20    1   53 o  183.887   6.3295   92.744   6.2893   92.930   8.8705   92.556   8.9185  184.083   8.9176  183.691   8.9849 0.3918152 12.65907 
1 1 1  -20    1   54 o  168.705   6.8885   78.181   6.2621   74.893   8.4816   82.122   9.2848  164.896   9.5187  172.514   9.9600 -7.618073 13.77707 
1 1 1  -20    1   55 o   79.118   12.074   19.076   5.4116   30.316   7.6089   7.5708   7.6982  103.789   13.567   54.448   19.976 49.34126 24.14757 
1 1 1  -20    1   56 o  113.513   9.1334   36.307   5.5955   35.558   8.0575   37.006   7.7766  112.248   13.284  114.778   12.538 -2.529846 18.26684 
1 1 1  -20    1   57 o   46.282   12.771   2.1893   5.3401   9.4913   7.1938  -6.7728   7.9697   57.294   19.460   35.270   16.544 22.02327 25.54185 
1 1 1  -20    1   58 o   42.742   12.794   0.1176   5.3691   5.5052   7.7325  -4.8981   7.4609   50.004   19.618   35.481   16.428 14.52248 25.58815 
1 1 1  -20    1   59 o  174.052   7.4180   84.767   6.9597   82.852   10.129   86.478   9.5786  171.958   10.901  176.146   10.063 -4.188446 14.83592 
1 1 1  -20    1   60 o   66.747   14.677   14.165   5.8646   13.234   8.3120   15.087   8.2758   64.773   20.879   68.722   20.633 -3.948715 29.35398 
1 1 1  -20    1   61 o  126.057   9.4825   46.164   6.4544   44.674   9.1810   47.619   9.0758  123.841   13.720  128.273   13.094 -4.432205 18.96497 
1 1 1  -20    1   62 o  200.751   7.1353  113.608   7.7395  115.406   11.042  111.872   10.851  202.303   10.101  199.198   10.081 3.105057 14.27068 
1 1 1  -20    1   63 o   92.022   13.752   27.104   6.6250   25.246   9.2454   29.064   9.4981   88.404   19.841   95.641   19.048 -7.236984 27.50403 
1 1 1  -20    1   66 o   67.132   16.327   18.620   7.6219   12.255   12.154   22.745   9.7850   57.610   23.866   76.653   22.288 -19.04294 32.65491 
1 1 1  -20    2    1 o  287.707   6.2616  223.735   9.7348   0.0000   0.0000  223.735   9.7348  ?   ?   287.707   6.2616      ?      ? 
1 1 1  -20    2    2 f  736.446   9.0358  1467.79   35.957  1470.07   51.019  1465.54   50.685  737.011   12.811  735.881   12.746 1.130676 18.07150 
1 1 1  -20    2    3 o   90.205   7.0970   21.996   3.4593   0.0000   0.0000   21.996   3.4593  ?   ?    90.205   7.0970      ?      ? 
1 1 1  -20    2    4 o  733.692   9.0125  1456.35   35.723  1435.72   49.868  1478.09   51.197  728.365   12.670  739.020   12.820 -10.65485 18.02497 
1 1 1  -20    2    5 o  652.938   9.9550  1149.91   32.979  1141.82   40.164  1166.67   57.781  649.649   11.441  656.229   16.294 -6.579834 19.90998 
1 1 1  -20    2    6 o  786.604   13.611  1675.80   57.795  1631.31   79.582  1725.45   84.071  775.611   18.988  797.597   19.506 -21.98602 27.22208 
1 1 1  -20    2    7 o  429.846   8.1564  499.858   18.945  495.946   26.693  503.829   26.892  428.151   11.538  431.541   11.532 -3.389496 16.31278 
1 1 1  -20    2    8 o  736.030   18.135  1468.47   72.128   0.0000   0.0000  1468.47   72.128  ?   ?   736.030   18.135      ?      ? 
1 1 1  -20    2    9 f  405.966   7.8617  445.731   17.244  450.676   24.647  440.991   24.134  408.169   11.175  403.764   11.061 4.404480 15.72348 
1 1 1  -20    2   10 o  561.545   8.7742  848.908   24.954  840.983   30.322  865.541   43.927  557.644   10.063  565.446   14.377 -7.802002 17.54835 
1 1 1  -20    2   11 o  654.259   8.1545  1157.55   28.822  1141.21   40.234  1174.77   41.309  649.523   11.463  658.994   11.601 -9.470337 16.30896 
1 1 1  -20    2   12 o  902.502   10.945  2205.28   53.375  2202.16   75.420  2208.41   75.549  901.862   15.476  903.141   15.480 -1.279175 21.88951 
1 1 1  -20    2   13 o  836.086   10.196  1891.43   46.054  1915.78   66.012  1868.34   64.283  841.317   14.520  830.855   14.318 10.46167 20.39215 
1 1 1  -20    2   14 f  560.181   7.1593  848.210   21.665  861.374   31.105  835.807   30.192  564.397   10.199  555.965   10.050 8.432434 14.31855 
1 1 1  -20    2   15 o  159.374   4.7666   68.642   4.1039   70.890   5.8387   66.448   5.7695  161.952   6.6718  156.796   6.8095 5.156616 9.533206 
1 1 1  -20    2   16 o  569.473   7.2722  876.792   22.375  884.550   31.952  869.326   31.344  571.942   10.339  567.004   10.230 4.938232 14.54444 
1 1 1  -20    2   17 o  321.509   4.9640  279.302   8.6226  272.974   12.074  285.889   12.318  317.794   7.0312  325.225   7.0090 -7.431305 9.927917 
1 1 1  -20    2   18 o  409.828   5.7249  453.986   12.677  457.952   18.091  450.159   17.769  411.586   8.1340  408.071   8.0582 3.514893 11.44974 
1 1 1  -20    2   19 o  305.699   4.9892  252.600   8.2415  252.622   11.617  252.579   11.694  305.712   7.0322  305.685   7.0794 0.2682495E-01 9.978475 
1 1 1  -20    2   20 o  485.796   6.4895  637.927   17.032  646.769   24.367  629.480   23.818  489.085   9.2199  482.507   9.1350 6.578094 12.97901 
1 1 1  -20    2   21 o  1028.71   12.427  2866.98   69.081  2859.16   97.439  2874.88   97.953  1027.31   17.553  1030.12   17.597 -2.812866 24.85476 
1 1 1  -20    2   22 f  406.172   5.8175  445.913   12.767  440.317   17.882  451.729   18.232  403.574   8.2000  408.769   8.2542 -5.194733 11.63493 
1 1 1  -20    2   23 o  544.428   7.1202  801.380   20.943  791.485   29.276  811.751   29.972  540.990   10.015  547.867   10.124 -6.876648 14.24036 
1 1 1  -20    2   24 o  768.148   9.5113  1597.10   39.479  1591.57   55.644  1602.70   56.021  766.812   13.429  769.484   13.473 -2.672363 19.02251 
1 1 1  -20    2   25 o  114.670   8.2480   35.819   5.0715   38.099   6.9043   33.147   7.4738  118.673   10.767  110.667   12.498 8.005608 16.49592 
1 1 1  -20    2   26 o  968.702   11.783  2543.84   61.680  2540.06   87.118  2547.64   87.339  967.982   16.655  969.422   16.673 -1.439331 23.56650 
1 1 1  -20    2   27 o   83.878   12.390   19.653   5.4279   17.346   7.3838   22.366   8.0063   78.426   17.827   89.329   17.210 -10.90286 24.77933 
1 1 1  -20    2   28 o   86.030   12.394   21.950   6.0084   37.054   8.3441   5.6853   8.6590  116.987   13.199   55.073   20.982 61.91328 24.78855 
1 1 1  -20    2   29 o  420.755   6.4099  478.418   14.560  469.701   20.094  488.055   21.128  416.731   8.9232  424.780   9.2045 -8.049713 12.81976 
1 1 1  -20    2   30 o  607.244   8.0142  995.476   26.238  961.932   35.709  1034.84   38.682  596.178   11.085  618.310   11.578 -22.13263 16.02834 
1 1 1  -20    2   31 o  608.821   8.0371  1003.19   26.438  998.437   37.064  1008.11   37.722  607.360   11.293  610.282   11.439 -2.922424 16.07412 
1 1 1  -20    2   32 o  1078.23   13.112  3158.74   76.393  3150.62  107.756  3166.95  108.319  1076.85   18.518  1079.62   18.567 -2.771484 26.22327 
1 1 1  -20    2   33 o  393.804   6.3788  419.557   13.573  415.090   19.028  424.184   19.366  391.673   8.9903  395.936   9.0515 -4.262970 12.75754 
1 1 1  -20    2   34 o  618.515   8.0740  1035.78   26.978  1050.70   38.703  1021.67   37.625  622.835   11.500  614.194   11.337 8.641174 16.14795 
1 1 1  -20    2   35 o  408.279   6.2957  451.208   13.888  452.528   19.510  449.852   19.774  408.890   8.8299  407.667   8.9763 1.222626 12.59135 
1 1 1  -20    2   36 o  197.186   6.6632  105.299   7.0998  105.222   10.050  105.375   10.031  197.114   9.4357  197.259   9.4106 -0.1443787 13.32635 
1 1 1  -20    2   37 o  405.372   9.1353  445.733   20.003  460.586   28.730  431.757   27.868  411.924   12.907  398.820   12.931 13.10333 18.27055 
1 1 1  -20    2   40 o  202.833   6.2396  111.188   6.8277  103.289   9.3850  120.070   9.9516  195.196   8.8976  210.469   8.7502 -15.27222 12.47929 
1 1 1  -20    2   41 o  506.532   6.9437  696.339   19.005  692.342   26.742  700.418   27.015  505.068   9.7983  507.995   9.8413 -2.926941 13.88738 
1 1 1  -20    2   42 o  116.140   8.8145   36.752   5.5298   38.102   7.8669   35.434   7.7746  118.260   12.311  114.020   12.619 4.240196 17.62901 
1 1 1  -20    2   43 o  143.197   7.5062   55.802   5.7988   60.089   8.2775   51.670   8.1261  148.628   10.306  137.767   10.916 10.86102 15.01247 
1 1 1  -20    2   44 o  338.847   5.7616  311.441   10.547  306.302   14.704  316.887   15.136  335.978   8.0989  341.716   8.1971 -5.738342 11.52322 
1 1 1  -20    2   45 o  227.676   5.8198  140.798   7.1558  140.256   10.287  141.307   9.9609  227.230   8.3775  228.123   8.0806 -0.8923645 11.63953 
1 1 1  -20    2   46 o  131.605   8.1651   47.784   5.7152   38.013   8.0529   57.699   8.1123  117.770   12.654  145.441   10.322 -27.67072 16.33013 
1 1 1  -20    2   47 o  222.142   5.8050  134.106   6.9656  130.081   9.7016  138.389   10.007  218.704   8.2092  225.580   8.2098 -6.875809 11.60993 
1 1 1  -20    2   48 f  168.381   6.7571   77.301   6.1308   69.683   8.5375   85.411   8.8094  159.763   9.8893  176.999   9.2106 -17.23540 13.51417 
1 1 1  -20    2   49 o  348.975   5.8073  331.586   10.946  340.327   15.775  323.469   15.202  353.390   8.2607  344.560   8.1646 8.829773 11.61463 
1 1 1  -20    2   50 o  123.991   8.4194   42.653   5.5807   35.695   7.9059   49.563   7.8788  113.638   12.875  134.344   10.853 -20.70564 16.83886 
1 1 1  -20    2   51 o  189.984   6.3681   98.719   6.5319   98.698   9.0523   98.741   9.4347  190.011   8.8164  189.957   9.1915 0.5470276E-01 12.73623 
1 1 1  -20    2   52 o  116.345   8.7675   37.571   5.5103   38.683   7.8035   36.466   7.7821  118.104   12.227  114.586   12.568 3.517387 17.53494 
1 1 1  -20    2   53 o   64.216   13.565   12.158   5.0653   11.959   7.3633   12.337   6.9789   63.821   19.528   64.611   18.833 -0.7899590 27.13022 
1 1 1  -20    2   54 o  108.651   9.4366   33.203   5.5264   31.433   7.9431   34.863   7.6939  105.663   13.912  111.639   12.754 -5.975815 18.87315 
1 1 1  -20    2   55 o  112.842   9.2103   35.694   5.5353   28.281   7.6158   43.995   8.0593  100.077   14.083  125.608   11.874 -25.53075 18.42061 
1 1 1  -20    2   56 o   36.090   11.780  -4.8974   5.3697  -4.1053   7.4610  -5.7487   7.7343   36.520   16.734   35.660   16.585 0.8596725 23.56002 
1 1 1  -20    2   57 o   48.350   13.429   4.5419   5.2498   7.4655   7.4178   1.6079   7.4309   53.325   19.602   43.376   18.359 9.948708 26.85716 
1 1 1  -20    2   58 o  146.820   7.9618   60.691   6.2718   52.650   8.8670   68.742   8.8723  136.680   12.006  156.960   10.461 -20.28079 15.92356 
1 1 1  -20    2   59 o   73.248   14.157   16.830   5.7966   14.367   8.0392   19.496   8.3659   67.686   20.339   78.809   19.699 -11.12339 28.31426 
1 1 1  -20    2   60 o   61.336   14.746   11.528   5.8816   13.204   8.2442   9.7903   8.3934   64.712   20.787   57.960   20.920 6.751667 29.49170 
1 1 1  -20    2   61 o   71.565   13.705   16.079   6.1726   27.189   8.8751   5.6699   8.5906   92.803   18.348   50.327   20.363 42.47652 27.40995 
1 1 1  -20    2   62 o  193.417   7.3738  105.696   7.7048  109.072   11.003  102.448   10.792  196.499   10.363  190.334   10.493 6.164688 14.74770 
1 1 1  -20    2   63 o   49.050   20.208   4.7445   8.6482   0.0000   0.0000   4.7445   8.6482  ?   ?    49.050   20.208      ?      ? 
1 1 1  -20    2   66 o   52.649   15.380   1.3583   7.3783   22.950   13.100  -8.6740   8.9294   71.511   26.086   33.788   16.303 37.72221 30.76083 
1 1 1  -20    3    1 o  405.897   7.7577  445.403   17.015   0.0000   0.0000  445.403   17.015  ?   ?   405.897   7.7577      ?      ? 
1 1 1  -20    3    2 o  442.096   5.8790  527.722   14.028  542.440   20.441  514.621   19.286  447.909   8.4457  436.283   8.1807 11.62686 11.75808 
1 1 1  -20    3    3 f  663.352   8.2387  1190.54   29.532  1189.45   41.816  1191.61   41.713  663.050   11.671  663.654   11.632 -0.6048584 16.47744 
1 1 1  -20    3    4 o  520.503   9.4290  732.464   26.500  712.838   36.614  754.054   38.403  513.198   13.203  527.807   13.465 -14.60956 18.85805 
1 1 1  -20    3    5 o  641.311   11.294  1113.86   39.132  1124.55   55.919  1103.60   54.780  644.316   16.061  638.306   15.882 6.010437 22.58751 
1 1 1  -20    3    6 o  331.430   6.8133  297.009   12.201  293.018   17.122  301.126   17.391  329.168   9.6260  333.691   9.6448 -4.522522 13.62654 
1 1 1  -20    3    7 o  611.343   9.3660  1017.42   29.409  992.342   49.766  1030.87   36.455  605.354   15.214  617.332   10.928 -11.97870 18.73203 
1 1 1  -20    3    8 o  548.311   9.9192  813.661   29.384  822.072   42.044  805.631   41.083  551.074   14.119  545.549   13.936 5.525146 19.83837 
1 1 1  -20    3    9 o  584.363   10.475  924.401   33.073  914.865   46.417  934.234   47.136  581.306   14.777  587.421   14.850 -6.115417 20.94920 
1 1 1  -20    3   10 o  553.615   8.6854  823.543   24.315  813.330   29.481  845.270   43.000  548.415   9.9483  558.816   14.240 -10.40143 17.37088 
1 1 1  -20    3   11 o  229.813   6.0997  142.741   7.5748   0.0000   0.0000  142.741   7.5748  ?   ?   229.813   6.0997      ?      ? 
1 1 1  -20    3   12 o  702.896   8.7010  1336.58   33.048  1334.80   46.734  1338.37   46.741  702.426   12.312  703.367   12.298 -0.9410400 17.40200 
1 1 1  -20    3   13 f  1050.02   12.646  2985.86   71.740  2950.61  100.283  3022.81  102.670  1043.69   17.782  1056.34   17.987 -12.65942 25.29237 
1 1 1  -20    3   14 o  573.051   7.3104  887.603   22.630  872.768   31.539  903.345   32.490  568.121   10.274  577.981   10.403 -9.860107 14.62073 
1 1 1  -20    3   15 o  855.135   10.418  1978.61   48.132  1955.94   67.322  2002.31   68.840  850.134   14.655  860.137   14.811 -10.00250 20.83588 
1 1 1  -20    3   16 o  159.063   7.0411   68.386   6.0520   0.0000   0.0000   68.386   6.0520  ?   ?   159.063   7.0411      ?      ? 
1 1 1  -20    3   17 o  252.350   4.6650  172.009   6.3592  176.725   9.1307  167.567   8.8619  255.706   6.6081  248.993   6.5864 6.712982 9.329929 
1 1 1  -20    3   18 o  806.650   9.8943  1760.92   43.127  1751.93   60.711  1770.08   61.274  804.575   13.964  808.725   14.021 -4.149475 19.78869 
1 1 1  -20    3   19 o  913.331   11.099  2258.53   54.773  2270.02   77.902  2247.30   77.026  915.623   15.745  911.040   15.646 4.582336 22.19709 
1 1 1  -20    3   20 o  446.594   6.1408  538.519   14.807  556.484   21.476  522.241   20.443  453.681   8.7602  439.506   8.6078 14.17502 12.28156 
1 1 1  -20    3   21 o  335.976   5.2954  304.922   9.6067  299.942   13.290  310.371   13.902  333.108   7.3834  338.845   7.5927 -5.737335 10.59076 
1 1 1  -20    3   22 o  1129.35   13.593  3457.52   82.951  3449.31  117.073  3465.80  117.551  1128.01   19.207  1130.70   19.239 -2.687134 27.18554 
1 1 1  -20    3   23 o  496.178   6.6492  665.682   17.827  660.576   25.053  670.918   25.372  494.252   9.3804  498.104   9.4263 -3.852051 13.29838 
1 1 1  -20    3   24 o  185.855   5.6521   93.429   5.6718   94.501   7.8906   92.284   8.1585  186.961   7.8103  184.749   8.1722 2.212189 11.30428 
1 1 1  -20    3   25 o  289.560   5.3801  226.721   8.4149  228.081   11.761  225.295   12.046  290.452   7.4932  288.667   7.7222 1.785309 10.76012 
1 1 1  -20    3   26 o  312.762   5.4372  264.407   9.1878  270.780   13.113  258.261   12.877  316.464   7.6682  309.060   7.7106 7.403809 10.87449 
1 1 1  -20    3   27 o  631.630   8.1179  1077.91   27.673  1047.65   38.007  1112.04   40.370  622.228   11.304  641.032   11.654 -18.80432 16.23578 
1 1 1  -20    3   28 o  293.082   5.8223  232.279   9.1895  232.357   12.492  232.187   13.566  293.146   7.8864  293.019   8.5676 0.1274109 11.64466 
1 1 1  -20    3   29 o  412.480   6.3759  459.420   14.190  446.784   19.450  473.800   20.750  406.435   8.8561  418.526   9.1749 -12.09131 12.75180 
1 1 1  -20    3   30 o  101.920   13.249   30.240   6.7093   33.780   8.4076   24.032   11.133  111.667   13.933   92.172   22.540 19.49548 26.49853 
1 1 1  -20    3   31 o  259.355   6.6801  182.349   9.3360  197.359   13.174  167.207   13.232  270.113   9.0259  248.597   9.8503 21.51572 13.36024 
1 1 1  -20    3   32 o  659.542   8.5081  1176.88   30.295  1148.64   41.793  1208.14   43.979  651.236   11.876  667.848   12.186 -16.61169 17.01626 
1 1 1  -20    3   33 f  179.613   7.8562   87.782   7.5851   96.329   10.603   78.823   10.855  188.636   10.402  170.590   11.776 18.04602 15.71233 
1 1 1  -20    3   34 o  239.130   6.4981  154.752   8.3701  154.735   11.393  154.772   12.338  239.132   8.8166  239.129   9.5484 0.2609253E-02 12.99629 
1 1 1  -20    3   35 o  664.538   8.5096  1197.32   30.557  1200.99   43.326  1193.69   43.103  665.549   12.047  663.526   12.022 2.022644 17.01923 
1 1 1  -20    3   36 o  372.569   6.0602  375.833   12.197  378.588   17.066  372.956   17.437  373.976   8.4450  371.163   8.6941 2.812988 12.12045 
1 1 1  -20    3   39 o  173.822   9.9969   82.412   9.3716   78.784   13.475   85.811   13.042  170.059   14.664  177.584   13.591 -7.524872 19.99384 
1 1 1  -20    3   40 o  366.656   5.9892  363.785   11.853  376.124   17.260  352.772   16.307  372.517   8.5745  360.796   8.3642 11.72147 11.97837 
1 1 1  -20    3   41 o  220.770   5.9918  132.150   7.1477  131.622   10.144  132.671   10.073  220.328   8.5201  221.213   8.4270 -0.8847351 11.98359 
1 1 1  -20    3   42 o  159.040   6.8664   68.477   5.8818   61.119   8.0865   76.743   8.5710  149.975   9.9782  168.105   9.4354 -18.12962 13.73287 
1 1 1  -20    3   43 o  247.773   5.7412  166.653   7.6775  156.553   10.820  176.896   10.896  240.179   8.3365  255.366   7.8962 -15.18680 11.48247 
1 1 1  -20    3   44 o  184.229   6.3778   92.317   6.3348   84.972   8.9395   99.725   8.9782  176.821   9.3560  191.636   8.6701 -14.81528 12.75560 
1 1 1  -20    3   45 o  129.982   8.0648   46.132   5.6547   45.904   8.2313   46.335   7.7815  129.637   11.750  130.326   11.050 -0.6895752 16.12955 
1 1 1  -20    3   46 f  347.174   5.8082  327.468   10.892  319.993   15.163  335.439   15.658  343.092   8.1786  351.256   8.2493 -8.163971 11.61638 
1 1 1  -20    3   47 o  109.491   9.4068   33.275   5.5086   29.631   8.0740   36.449   7.5347  103.665   14.414  115.318   12.092 -11.65319 18.81369 
1 1 1  -20    3   48 o  224.461   5.8211  137.198   7.0555  135.277   10.128  139.009   9.8340  222.898   8.4090  226.024   8.0517 -3.125778 11.64224 
1 1 1  -20    3   49 o  274.394   5.6732  204.781   8.4034  192.866   11.638  217.759   12.146  266.048   8.0955  282.740   7.9501 -16.69128 11.34642 
1 1 1  -20    3   50 o  111.668   8.8608   34.406   5.3414   36.623   7.6686   32.317   7.4441  115.199   12.319  108.137   12.740 7.062630 17.72155 
1 1 1  -20    3   51 f  163.458   6.8596   73.221   6.0378   65.344   8.4142   81.583   8.6688  154.301   10.092  172.615   9.2938 -18.31480 13.71912 
1 1 1  -20    3   52 o   76.851   12.778   17.602   5.2436   20.270   7.3374   14.817   7.4964   83.168   16.903   70.535   19.168 12.63290 25.55595 
1 1 1  -20    3   53 o  182.323   6.5164   91.189   6.4164   87.623   8.9101   95.031   9.2478  178.619   9.2313  186.026   9.1998 -7.407043 13.03278 
1 1 1  -20    3   54 o   39.073   12.181  -1.2204   5.0167  -1.8045   6.9983  -0.6030   7.1952   38.023   16.920   40.123   17.529 -2.099907 24.36247 
1 1 1  -20    3   55 o  102.780   10.761   30.809   5.7312   25.938   8.3465   35.155   7.8835   93.664   17.122  111.895   13.038 -18.23138 21.52102 
1 1 1  -20    3   56 o   68.629   13.919   14.601   5.5554   10.875   8.3022   17.622   7.4757   61.150   20.905   76.108   18.384 -14.95815 27.83831 
1 1 1  -20    3   57 o  187.064   6.7748   96.884   6.8298   98.814   10.073   95.242   9.2915  188.634   9.8826  185.495   9.2697 3.138824 13.54966 
1 1 1  -20    3   58 o  159.088   7.7395   70.938   6.6349   76.774   9.3788   65.091   9.3875  165.886   10.463  152.290   11.407 13.59586 15.47905 
1 1 1  -20    3   59 o  114.671   10.007   38.027   6.1389   32.125   8.6593   43.991   8.7042  105.115   15.245  124.227   12.967 -19.11202 20.01368 
1 1 1  -20    3   60 o  161.896   7.7687   73.823   6.7954   74.591   9.7063   73.084   9.5167  162.690   11.041  161.103   10.932 1.587036 15.53738 
1 1 1  -20    3   61 o  109.513   10.641   35.450   6.2677   40.386   9.1747   31.131   8.5825  116.973   14.515  102.054   15.563 14.91882 21.28143 
1 1 1  -20    3   62 o  135.429   9.4078   53.163   6.8035   63.934   9.8634   43.386   9.3967  149.230   12.232  121.628   14.297 27.60254 18.81561 
1 1 1  -20    3   63 o   56.300   15.588   7.7478   7.7409  -4.9775   13.069   14.625   9.6075   46.465   21.593   66.135   22.489 -19.66997 31.17673 
1 1 1  -20    4    1 o  355.016   5.0877  340.649   9.7589  332.762   13.717  348.733   13.886  350.855   7.2354  359.178   7.1547 -8.322968 10.17547 
1 1 1  -20    4    2 o  294.617   5.5459  234.714   8.4533  234.855   10.533  234.459   14.170  294.767   6.6127  294.467   8.9051 0.2993469 11.09188 
1 1 1  -20    4    3 o  282.864   6.2878  216.354   9.6104  214.122   13.600  218.581   13.582  281.405   8.9440  284.323   8.8401 -2.917877 12.57553 
1 1 1  -20    4    4 o  413.979   7.8951  463.493   17.659  456.306   24.750  470.946   25.205  410.712   11.152  417.247   11.179 -6.535126 15.79025 
1 1 1  -20    4    5 o  556.243   9.9982  837.369   30.048  826.126   42.051  849.099   42.951  552.433   14.087  560.053   14.192 -7.620300 19.99647 
1 1 1  -20    4    6 o  220.170   5.9265  131.014   7.0509   0.0000   0.0000  131.014   7.0509  ?   ?   220.170   5.9265      ?      ? 
1 1 1  -20    4    7 o  373.602   5.2739  377.306   10.646  377.870   15.179  376.759   14.935  373.876   7.5131  373.329   7.4033 0.5473328 10.54775 
1 1 1  -20    4    8 o  193.356   6.2255  100.939   6.4865  102.950   9.5766   99.234   8.8169  195.129   9.0825  191.583   8.5167 3.545441 12.45091 
1 1 1  -20    4    9 o  421.151   8.1423  479.607   18.526  469.144   25.917  490.540   26.493  416.455   11.517  425.846   11.513 -9.390991 16.28456 
1 1 1  -20    4   10 o  763.002   11.505  1571.87   44.554  1563.04   54.298  1590.09   77.952  760.024   13.221  765.979   18.833 -5.954834 23.01041 
1 1 1  -20    4   11 o  349.731   7.1804  330.608   13.570   0.0000   0.0000  330.608   13.570  ?   ?   349.731   7.1804      ?      ? 
1 1 1  -20    4   12 o  786.184   9.6428  1672.32   40.963  1659.47   57.553  1685.52   58.315  783.126   13.600  789.242   13.674 -6.116394 19.28556 
1 1 1  -20    4   13 o  376.192   5.3787  382.399   10.932  375.216   15.280  389.930   15.646  372.575   7.5898  379.809   7.6235 -7.234406 10.75743 
1 1 1  -20    4   14 o  615.781   7.7803  1024.55   25.869  1047.77   37.465  1003.39   35.764  622.438   11.139  609.125   10.865 13.31293 15.56054 
1 1 1  -20    4   15 o  721.782   8.9370  1409.33   34.857  1405.01   49.215  1413.69   49.374  720.671   12.638  722.894   12.640 -2.222778 17.87401 
1 1 1  -20    4   16 o  771.718   9.4967  1611.25   39.598  1624.31   56.499  1598.65   55.514  774.785   13.495  768.651   13.366 6.133362 18.99347 
1 1 1  -20    4   17 o  1034.99   12.491  2901.85   69.859  2890.57   98.462  2913.28   99.134  1032.97   17.640  1037.01   17.691 -4.041382 24.98255 
1 1 1  -20    4   18 o  239.936   4.8746  155.684   6.3158  162.155   8.9249  149.194   8.9389  244.934   6.7432  234.938   7.0411 9.996414 9.749286 
1 1 1  -20    4   19 o  708.917   8.8257  1358.64   33.790  1330.13   46.833  1389.59   48.800  701.177   12.360  716.658   12.601 -15.48053 17.65148 
1 1 1  -20    4   20 o  860.531   10.520  2004.29   48.910  1983.77   68.488  2025.65   69.871  856.045   14.806  865.016   14.948 -8.971130 21.03936 
1 1 1  -20    4   21 f  458.888   6.3029  569.047   15.623  559.207   21.724  579.589   22.484  454.784   8.8398  462.993   8.9870 -8.208496 12.60590 
1 1 1  -20    4   22 o  374.093   5.6111  378.298   11.342  381.793   16.136  374.885   15.946  375.800   7.9459  372.385   7.9246 3.414642 11.22217 
1 1 1  -20    4   23 f  325.781   5.3664  286.920   9.4471  286.583   13.347  287.259   13.373  325.589   7.5862  325.973   7.5923 -0.3837585 10.73283 
1 1 1  -20    4   24 o   94.985   9.3033   24.647   4.7188   26.228   6.3386   22.681   7.0677   98.450   11.915   91.520   14.291 6.929733 18.60656 
1 1 1  -20    4   25 o  649.968   8.2557  1142.83   28.987  1126.00   40.394  1160.69   41.621  645.046   11.589  654.890   11.761 -9.844421 16.51133 
1 1 1  -20    4   26 o  291.473   5.5347  229.150   8.6981  221.822   11.843  237.731   12.816  286.431   7.6517  296.514   7.9990 -10.08337 11.06943 
1 1 1  -20    4   27 o  191.968   6.5155   99.089   6.7326   93.432   9.0485  106.105   10.077  185.870   9.0090  198.066   9.4152 -12.19583 13.03106 
1 1 1  -20    4   28 o  517.351   7.0932  723.409   19.812  708.907   27.350  739.421   28.739  511.910   9.8872  522.792   10.173 -10.88193 14.18635 
1 1 1  -20    4   29 o  548.521   7.4325  813.743   22.015  803.771   30.496  824.594   31.813  545.026   10.355  552.016   10.665 -6.990173 14.86494 
1 1 1  -20    4   30 o  600.515   7.9560  970.206   25.690  921.101   34.350  1032.54   38.702  583.406   10.896  617.624   11.596 -34.21796 15.91208 
1 1 1  -20    4   31 o  642.352   8.3218  1117.09   28.882  1110.76   40.479  1123.65   41.221  640.508   11.695  644.196   11.842 -3.688232 16.64352 
1 1 1  -20    4   32 o  790.909   9.8827  1695.57   42.227  1675.73   58.982  1716.43   60.483  786.182   13.884  795.636   14.068 -9.454773 19.76535 
1 1 1  -20    4   33 f  697.153   8.8861  1316.92   33.475  1317.49   47.410  1316.34   47.273  697.302   12.582  697.003   12.551 0.2982788 17.77222 
1 1 1  -20    4   34 o  319.625   5.9210  276.312   10.224  284.128   14.620  268.832   14.303  324.048   8.3494  315.202   8.3976 8.845886 11.84200 
1 1 1  -20    4   35 o  557.805   7.4737  843.055   22.527  843.677   31.889  842.436   31.828  558.009   10.576  557.601   10.563 0.4085693 14.94747 
1 1 1  -20    4   36 o  194.949   8.1767  102.306   8.1919  100.670   10.088  105.473   14.036  192.783   9.6843  197.115   13.178 -4.332657 16.35337 
1 1 1  -20    4   39 o  441.868   6.5026  529.113   15.519  536.042   22.338  522.648   21.577  444.647   9.2970  439.089   9.0940 5.557556 13.00522 
1 1 1  -20    4   40 o  104.010   10.075   29.495   5.6621   29.201   8.0066   29.789   8.0083  103.488   14.318  104.533   14.177 -1.045784 20.14937 
1 1 1  -20    4   41 o  213.571   6.1990  123.560   7.1485  117.122   9.9265  130.496   10.303  207.792   8.8405  219.350   8.6924 -11.55812 12.39809 
1 1 1  -20    4   42 o   88.092   11.825   22.373   5.4211   32.280   7.7413   12.840   7.5939  108.731   13.176   67.454   19.641 41.27736 23.65099 
1 1 1  -20    4   43 o  236.667   5.7509  151.976   7.3546  152.421   10.381  151.528   10.421  237.018   8.1050  236.316   8.1610 0.7017975 11.50187 
1 1 1  -20    4   44 o  297.839   5.5836  240.725   8.9864  241.866   12.724  239.590   12.693  298.545   7.8874  297.134   7.9055 1.410980 11.16728 
1 1 1  -20    4   45 o  220.341   6.0235  131.969   7.1718  132.698   10.148  131.242   10.137  220.952   8.4993  219.730   8.5377 1.222137 12.04706 
1 1 1  -20    4   46 o  337.502   5.7617  309.343   10.501  318.935   15.191  300.564   14.533  342.492   8.2080  332.512   8.0881 9.979828 11.52341 
1 1 1  -20    4   47 o  222.102   5.9368  134.366   7.1161  127.110   10.092  141.540   10.035  216.086   8.6434  228.119   8.1410 -12.03250 11.87369 
1 1 1  -20    4   48 o  200.198   6.0473  109.194   6.5418  108.217   9.2468  110.173   9.2563  199.295   8.5863  201.102   8.5179 -1.806671 12.09458 
1 1 1  -20    4   49 o  240.245   5.8331  157.280   7.5683  150.081   10.586  164.808   10.825  234.597   8.3504  245.893   8.1468 -11.29585 11.66615 
1 1 1  -20    4   50 o  143.902   7.4094   56.923   5.7338   50.125   8.0431   63.948   8.1761  135.031   11.023  152.772   9.9041 -17.74057 14.81886 
1 1 1  -20    4   51 o  172.833   6.6234   82.118   6.1588   73.823   8.7473   90.272   8.6730  164.016   9.8696  181.650   8.8358 -17.63385 13.24688 
1 1 1  -20    4   52 o  103.540   9.8756   30.105   5.4390   36.920   7.8356   23.768   7.5558  115.228   12.584   91.853   15.223 23.37573 19.75110 
1 1 1  -20    4   53 o  113.076   9.0419   36.105   5.3734   26.453   7.5202   46.174   7.6807   96.975   14.351  129.177   11.003 -32.20137 18.08376 
1 1 1  -20    4   54 o  135.907   7.8608   51.464   5.7496   55.302   8.0126   47.390   8.2552  141.349   10.490  130.465   11.710 10.88420 15.72153 
1 1 1  -20    4   55 o  178.149   6.7174   87.552   6.4637   91.260   9.2274   83.980   9.0570  181.894   9.3880  174.403   9.6104 7.490814 13.43483 
1 1 1  -20    4   56 o  128.834   8.5023   46.773   5.8888   43.027   8.5103   50.215   8.1569  123.568   12.745  134.100   11.257 -10.53201 17.00466 
1 1 1  -20    4   57 o  159.399   7.4810   70.777   6.4385   67.570   8.9051   74.289   9.3198  155.616   10.590  163.181   10.569 -7.564377 14.96197 
1 1 1  -20    4   58 o  127.594   8.9687   46.095   6.1809   46.316   8.6266   45.862   8.8602  128.005   12.472  127.183   12.892 0.8214111 17.93743 
1 1 1  -20    4   59 o  118.755   9.7639   40.803   6.0892   52.833   8.8004   29.754   8.4341  136.583   11.924  100.927   15.465 35.65581 19.52786 
1 1 1  -20    4   60 o  197.553   6.8112  109.089   7.2619  103.971   10.335  114.080   10.206  192.777   9.9209  202.329   9.3352 -9.551666 13.62246 
1 1 1  -20    4   61 o  104.925   11.457   33.779   6.2463   28.299   8.9125   39.068   8.7567   94.609   18.093  115.241   14.062 -20.63225 22.91472 
1 1 1  -20    4   62 o  190.143   7.2602  102.058   7.4356  100.009   10.888  103.849   10.179  187.997   10.718  192.289   9.7960 -4.292587 14.52038 
1 1 1  -20    4   63 o   81.319   17.717   24.364   8.5700   23.131   12.739   25.383   11.583   78.687   25.880   83.950   24.204 -5.262596 35.43466 
1 1 1  -20    4   65 o   59.301   17.455   11.124   9.9511   18.815   13.091   0.5986   15.315   67.888   25.815   50.714   23.501 17.17397 34.90965 
1 1 1  -20    5    1 o  233.852   5.8252  147.833   7.3585  142.545   10.347  153.243   10.467  229.620   8.3394  238.084   8.1355 -8.464401 11.65040 
1 1 1  -20    5    2 o  355.705   7.1177  341.917   13.676  333.108   19.016  351.351   19.681  350.965   10.027  360.445   10.105 -9.479919 14.23537 
1 1 1  -20    5    3 o  547.625   9.8655  811.016   29.178  791.892   40.451  831.757   42.127  540.909   13.840  554.341   14.064 -13.43207 19.73109 
1 1 1  -20    5    4 o  654.438   9.9766  1162.38   33.386  1149.55   57.225  1169.00   41.106  651.500   16.255  657.376   11.572 -5.876770 19.95326 
1 1 1  -20    5    5 o  510.081   6.6309  703.258   18.273  690.550   25.524  716.620   26.172  505.356   9.3467  514.805   9.4083 -9.448364 13.26186 
1 1 1  -20    5    6 o  357.181   5.1685  344.734   9.9737  336.150   13.963  353.677   14.251  352.642   7.3274  361.719   7.2911 -9.077057 10.33693 
1 1 1  -20    5    7 o  405.100   6.9206  446.284   14.251  436.261   24.648  451.317   17.466  401.606   11.358  408.595   7.9108 -6.989532 13.84112 
1 1 1  -20    5    8 o  769.494   13.407  1601.21   55.657  1545.95   76.138  1664.64   81.564  755.303   18.655  783.685   19.261 -28.38208 26.81380 
1 1 1  -20    5    9 o  489.425   9.1480  646.471   24.158  619.144   33.079  677.703   35.364  478.377   12.797  500.473   13.076 -22.09625 18.29608 
1 1 1  -20    5   10 o  130.354   5.2416   46.012   3.6831   44.555   5.3486   47.327   5.0791  128.385   7.7098  132.323   7.1033 -3.938797 10.48323 
1 1 1  -20    5   11 o  691.219   8.5924  1292.39   32.093  1286.61   45.332  1298.20   45.442  689.670   12.164  692.769   12.139 -3.099365 17.18480 
1 1 1  -20    5   12 o  549.327   7.0652  815.942   20.972  814.500   29.714  817.374   29.604  548.842   10.019  549.812   9.9643 -0.9698486 14.13044 
1 1 1  -20    5   13 o  667.610   8.3409  1205.52   30.090  1203.99   42.601  1207.04   42.507  667.187   11.816  668.032   11.775 -0.8451538 16.68185 
1 1 1  -20    5   14 o  656.993   8.2297  1167.17   29.212  1150.91   40.869  1184.15   41.771  652.320   11.594  661.666   11.683 -9.346619 16.45946 
1 1 1  -20    5   15 o  190.800   6.7508   98.396   6.9602   98.396   6.9602   0.0000   0.0000  190.800   6.7508  ?   ?       ?      ? 
1 1 1  -20    5   16 o  690.095   8.6056  1288.10   32.087  1274.03   44.968  1302.70   45.799  686.259   12.126  693.931   12.214 -7.672485 17.21116 
1 1 1  -20    5   17 o  372.623   5.4788  375.247   11.030  369.443   15.450  381.283   15.753  369.685   7.7339  375.561   7.7626 -5.876465 10.95768 
1 1 1  -20    5   18 o  289.982   4.9856  227.296   7.8120  229.285   11.055  225.311   11.041  291.250   7.0244  288.713   7.0769 2.536072 9.971151 
1 1 1  -20    5   19 o  146.574   5.8606   58.088   4.6306   52.866   6.4788   63.542   6.6209  139.836   8.5741  153.313   7.9919 -13.47688 11.72118 
1 1 1  -20    5   20 o  880.149   10.745  2095.47   51.070  2050.04   70.665  2145.14   73.890  870.192   15.028  890.106   15.362 -19.91406 21.49038 
1 1 1  -20    5   21 o  650.359   8.2285  1143.89   28.912  1128.69   40.407  1159.84   41.386  645.937   11.577  654.780   11.697 -8.843811 16.45703 
1 1 1  -20    5   22 o  1162.21   13.989  3662.89   87.838  3625.22  122.943  3702.17  125.540  1156.13   19.679  1168.29   19.886 -12.15771 27.97719 
1 1 1  -20    5   23 o   78.351   10.821   17.588   4.4229   22.353   6.0545   12.134   6.4767   90.884   12.328   65.817   17.788 25.06705 21.64225 
1 1 1  -20    5   24 o  605.799   7.7923  992.005   25.491  967.921   35.271  1018.34   36.883  598.117   10.913  613.481   11.126 -15.36304 15.58461 
1 1 1  -20    5   25 o  437.810   6.2315  518.347   14.741  516.761   20.678  519.985   21.019  437.133   8.7540  438.488   8.8709 -1.355652 12.46295 
1 1 1  -20    5   26 o  322.676   5.6951  281.576   9.9284  284.824   13.964  278.254   14.119  324.561   7.9623  320.790   8.1449 3.770691 11.39024 
1 1 1  -20    5   27 o  979.120   11.938  2599.21   63.161  2590.96   88.966  2607.60   89.684  977.561   16.842  980.679   16.924 -3.117615 23.87616 
1 1 1  -20    5   29 o  289.051   6.2422  225.270   9.7202  217.458   13.155  234.666   14.426  283.556   8.5852  294.545   9.0638 -10.98883 12.48431 
1 1 1  -20    5   30 f  238.201   6.6055  151.110   8.3826  140.271   10.829  167.313   13.240  227.727   8.8003  248.676   9.8531 -20.94914 13.21099 
1 1 1  -20    5   31 o  178.705   11.484   86.478   11.089   0.0000   0.0000   86.478   11.089  ?   ?   178.705   11.484      ?      ? 
1 1 1  -20    5   32 o  409.732   6.3154  453.467   13.970  473.306   20.285  435.567   19.268  418.239   8.9754  401.224   8.8870 17.01471 12.63076 
1 1 1  -20    5   33 o  731.973   9.2543  1452.33   36.604  1455.50   51.856  1449.18   51.676  732.768   13.096  731.179   13.079 1.589539 18.50868 
1 1 1  -20    5   34 o  569.387   10.727  878.312   33.006  878.312   33.006   0.0000   0.0000  569.387   10.727  ?   ?       ?      ? 
1 1 1  -20    5   35 o  591.026   7.7808  946.778   24.849  949.114   35.265  944.474   35.019  591.746   11.029  590.306   10.978 1.439636 15.56150 
1 1 1  -20    5   36 o  340.189   12.099  313.964   22.240   0.0000   0.0000  313.964   22.240  ?   ?   340.189   12.099      ?      ? 
1 1 1  -20    5   39 o  262.776   5.8536  187.158   8.3091  189.888   11.658  184.339   11.846  264.736   8.1492  260.816   8.4053 3.919952 11.70718 
1 1 1  -20    5   40 o  435.559   6.3509  513.606   14.926  530.648   21.821  498.620   20.462  442.310   9.1298  428.808   8.8309 13.50192 12.70188 
1 1 1  -20    5   41 o  160.725   7.1018   70.157   6.1523   63.613   8.5855   77.065   8.8205  152.993   10.385  168.457   9.6898 -15.46478 14.20354 
1 1 1  -20    5   42 o  188.113   6.2898   95.875   6.3849  100.188   9.3308   92.077   8.7559  192.073   8.9901  184.154   8.7990 7.918869 12.57950 
1 1 1  -20    5   43 f  110.877   9.2307   33.661   5.5097   32.561   8.0713   34.622   7.5395  109.115   13.689  112.639   12.387 -3.524277 18.46148 
1 1 1  -20    5   44 o  215.162   6.1193  125.717   7.1112  131.382   10.172  120.302   9.9452  219.913   8.5600  210.411   8.7470 9.502182 12.23862 
1 1 1  -20    5   45 o  163.484   6.7438   72.838   5.9437   66.656   8.3494   79.190   8.4631  156.398   9.8796  170.569   9.1821 -14.17130 13.48763 
1 1 1  -20    5   46 o  337.340   5.7793  309.278   10.532  300.008   14.713  319.018   15.082  332.152   8.1975  342.528   8.1486 -10.37512 11.55852 
1 1 1  -20    5   47 o   75.603   13.241   16.674   5.4137   14.114   7.7350   19.132   7.5796   69.865   19.660   81.342   17.744 -11.47717 26.48293 
1 1 1  -20    5   48 o  154.956   7.1756   65.487   5.9875   68.017   8.9094   63.403   8.0856  157.617   10.461  152.295   9.8251 5.322052 14.35126 
1 1 1  -20    5   49 o  119.228   8.5281   39.142   5.4914   37.431   7.6590   40.952   7.8778  116.529   12.163  121.926   11.957 -5.396965 17.05614 
1 1 1  -20    5   50 o  234.364   5.9002  149.857   7.4577  137.546   10.410  162.837   10.689  224.410   8.5846  244.318   8.0965 -19.90758 11.80033 
1 1 1  -20    5   51 o  142.790   7.6434   56.022   5.8432   66.970   8.5235   46.315   8.0259  156.092   10.105  129.490   11.470 26.60185 15.28670 
1 1 1  -20    5   52 o  162.559   7.0091   73.076   6.1228   65.869   8.7910   79.865   8.5326  154.548   10.527  170.569   9.2575 -16.02061 14.01819 
1 1 1  -20    5   53 o  108.525   10.564   34.650   5.7054   22.490   8.0517   46.912   8.0857   87.073   17.715  129.978   11.512 -42.90511 21.12744 
1 1 1  -20    5   54 o  151.772   7.4472   63.778   6.1074   64.541   8.6640   63.025   8.6107  152.684   10.501  150.859   10.563 1.824982 14.89447 
1 1 1  -20    5   55 o  147.746   7.6931   59.862   6.0934   71.316   9.2024   50.920   8.1313  160.255   10.627  135.237   11.127 25.01811 15.38628 
1 1 1  -20    5   56 o  252.835   5.9214  175.962   8.0723  160.892   11.281  191.777   11.556  241.590   8.6411  264.080   8.0983 -22.48985 11.84276 
1 1 1  -20    5   57 o   40.057   12.468  -1.7302   5.4112  -6.0455   7.6525   2.5854   7.6528   34.933   16.330   45.180   18.845 -10.24667 24.93618 
1 1 1  -20    5   58 o  184.703   7.0444   94.559   7.0167  102.583   10.285   87.574   9.5965  192.031   9.9121  177.376   10.012 14.65515 14.08879 
1 1 1  -20    5   59 o  166.425   7.5045   78.089   6.7056   74.308   9.9012   81.293   9.1140  162.273   11.292  170.577   9.8878 -8.304413 15.00892 
1 1 1  -20    5   60 o   52.276   14.441   6.7250   5.9528   4.9171   8.6621   8.3430   8.1944   49.767   20.331   54.786   20.514 -5.018665 28.88211 
1 1 1  -20    5   61 o  240.524   6.4082  161.658   8.3186  169.671   12.135  154.557   11.425  246.073   9.1265  234.975   8.9981 11.09773 12.81635 
1 1 1  -20    5   62 o  167.028   8.3151   79.785   7.4811   73.302   10.627   86.154   10.534  159.868   12.301  174.188   11.191 -14.32069 16.63018 
1 1 1  -20    5   63 o   41.173   13.904  -9.3734   8.7210 -13.4279   12.455  -5.4730   12.215   38.950   18.903   43.395   20.396 -4.444729 27.80827 
1 1 1  -20    5   65 o   50.605   16.193   3.6981   9.5154   6.3919   13.667   1.1642   13.256   52.963   23.600   48.247   22.180 4.716087 32.38692 
1 1 1  -20    6    1 f  556.508   8.6980  836.546   24.663  841.667   42.767  833.995   30.188  557.665   14.192  555.352   10.060 2.313660 17.39592 
1 1 1  -20    6    2 o  281.248   4.6728  213.933   7.0946  210.225   10.210  217.395   9.8653  278.887   6.7752  283.609   6.4373 -4.721436 9.345659 
1 1 1  -20    6    3 o  768.015   13.328  1596.05   55.311   0.0000   0.0000  1596.05   55.311  ?   ?   768.015   13.328      ?      ? 
1 1 1  -20    6    4 o  313.690   4.8672  266.020   8.2487  261.222   11.702  270.759   11.630  310.876   6.9658  316.503   6.7998 -5.627014 9.734465 
1 1 1  -20    6    5 o  350.516   5.1681  331.964   9.7862  321.715   13.698  342.647   13.986  344.992   7.3479  356.040   7.2695 -11.04819 10.33625 
1 1 1  -20    6    6 o  494.831   6.5047  662.017   17.392  662.740   24.750  661.312   24.444  495.096   9.2514  494.566   9.1464 0.5299072 13.00940 
1 1 1  -20    6    7 o  206.389   6.6526  114.406   7.3717  121.644   11.200  108.874   9.7917  212.104   9.7718  200.673   9.0299 11.43069 13.30517 
1 1 1  -20    6    8 o  527.046   9.7357  751.188   27.710  763.739   40.028  739.640   38.398  531.261   13.943  522.832   13.591 8.428772 19.47133 
1 1 1  -20    6    9 o  197.373   5.6065  102.445   5.6757   96.719   6.9160  114.257   9.9331  189.168   6.7657  205.578   8.9417 -16.40941 11.21292 
1 1 1  -20    6   10 o  732.390   9.0604  1451.10   35.857  1449.97   50.784  1452.21   50.636  732.106   12.837  732.673   12.790 -0.5678711 18.12085 
1 1 1  -20    6   11 f  340.636   5.1572  313.282   9.4866  298.568   13.187  329.065   13.657  332.355   7.3428  348.918   7.2436 -16.56326 10.31435 
1 1 1  -20    6   12 o  548.008   7.0840  811.887   20.975  800.609   29.417  823.550   29.916  544.139   10.005  551.878   10.032 -7.739868 14.16791 
1 1 1  -20    6   13 o  549.000   7.1000  814.075   21.048  791.393   29.098  838.964   30.481  540.993   9.9538  557.007   10.127 -16.01422 14.19993 
1 1 1  -20    6   14 o  625.887   7.9212  1059.45   26.788  1064.26   38.172  1054.79   37.602  627.282   11.261  624.492   11.143 2.789612 15.84234 
1 1 1  -20    6   15 o  394.268   5.6583  419.801   12.049  405.899   16.725  434.800   17.373  387.490   7.9876  401.047   8.0164 -13.55716 11.31656 
1 1 1  -20    6   16 o  760.282   9.4000  1564.10   38.616  1568.82   54.879  1559.47   54.348  761.414   13.338  759.149   13.249 2.264465 18.79990 
1 1 1  -20    6   17 o  238.313   4.9498  153.429   6.3705  146.131   8.9064  161.073   9.1156  232.513   7.0887  244.113   6.9104 -11.60069 9.899696 
1 1 1  -20    6   18 o  586.811   7.5405  930.862   23.903  914.541   33.296  948.217   34.336  581.510   10.596  592.112   10.731 -10.60211 15.08105 
1 1 1  -20    6   19 o  192.871   5.3033  100.600   5.5118  101.159   7.5312   99.956   8.0883  193.451   7.2045  192.290   7.7841 1.161163 10.60651 
1 1 1  -20    6   20 o  293.061   7.3890  232.163   11.701   0.0000   0.0000  232.163   11.701  ?   ?   293.061   7.3890      ?      ? 
1 1 1  -20    6   21 o  427.463   6.0647  494.045   14.009  490.237   19.776  497.879   19.846  425.810   8.5948  429.117   8.5589 -3.307129 12.12950 
1 1 1  -20    6   22 o  331.262   5.4299  296.648   9.7191  298.560   13.844  294.790   13.648  332.314   7.7093  330.211   7.6488 2.103088 10.85988 
1 1 1  -20    6   23 o  296.343   5.3603  237.432   8.5836  237.224   12.117  237.641   12.161  296.213   7.5700  296.473   7.5912 -0.2597656 10.72062 
1 1 1  -20    6   24 o  324.545   5.4964  284.729   9.6378  281.368   13.486  288.238   13.778  322.589   7.7365  326.501   7.8096 -3.912476 10.99288 
1 1 1  -20    6   25 o  223.525   5.9095  133.025   7.0808  118.173   9.3328  153.171   10.870  209.052   8.2617  237.998   8.4518 -28.94640 11.81899 
1 1 1  -20    6   26 o  221.696   6.1353  132.784   7.3463  128.033   10.209  137.886   10.579  217.587   8.6831  225.805   8.6701 -8.217499 12.27057 
1 1 1  -20    6   27 o  324.494   5.9470  284.940   10.392  287.000   14.154  282.529   15.308  325.780   8.0399  323.207   8.7651 2.573181 11.89404 
1 1 1  -20    6   28 o  549.586   10.570  817.330   31.390   0.0000   0.0000  817.330   31.390  ?   ?   549.586   10.570      ?      ? 
1 1 1  -20    6   29 o  553.759   7.4620  829.253   22.316  814.899   30.931  844.835   32.227  548.775   10.431  558.744   10.674 -9.969177 14.92404 
1 1 1  -20    6   30 o  820.758   10.206  1825.75   45.258  1804.33   63.281  1848.17   64.752  815.847   14.354  825.669   14.513 -9.821350 20.41249 
1 1 1  -20    6   31 o  484.687   6.8239  635.786   17.872  636.932   25.306  634.645   25.245  485.122   9.6534  484.251   9.6476 0.8715515 13.64787 
1 1 1  -20    6   32 o  679.803   8.7032  1251.48   31.960  1229.68   44.517  1274.66   45.913  673.710   12.228  685.896   12.388 -12.18640 17.40644 
1 1 1  -20    6   33 o  677.675   8.6711  1244.78   31.751  1250.47   45.164  1239.22   44.647  679.198   12.306  676.152   12.220 3.046082 17.34218 
1 1 1  -20    6   34 o  477.439   6.7926  617.346   17.524  613.727   24.806  620.951   24.759  476.038   9.6435  478.840   9.5687 -2.802063 13.58515 
1 1 1  -20    6   35 o  204.649   8.0929  109.683   8.2708  103.890   9.8353  123.671   15.284  195.861   9.2929  213.437   13.252 -17.57567 16.18576 
1 1 1  -20    6   38 o  142.303   11.979   55.355   9.1807   49.595   12.832   61.396   13.140  134.648   17.636  149.957   16.216 -15.30925 23.95853 
1 1 1  -20    6   39 o  104.831   10.233   29.963   5.7640   25.875   8.0082   34.357   8.3028   97.362   15.221  112.300   13.682 -14.93749 20.46696 
1 1 1  -20    6   40 o  149.260   7.5080   60.496   6.0495   61.335   8.7789   59.737   8.3480  150.229   10.814  148.292   10.418 1.937943 15.01594 
1 1 1  -20    6   41 o   43.412   12.601  -0.6510   5.2245   6.1395   7.3624  -7.5390   7.4150   52.825   19.510   34.000   15.951 18.82462 25.20119 
1 1 1  -20    6   42 o  328.164   5.7809  292.009   10.246  298.646   14.766  285.845   14.230  331.748   8.2370  324.581   8.1133 7.166809 11.56177 
1 1 1  -20    6   43 o  288.552   5.7428  225.622   8.9419  232.430   13.062  219.617   12.267  292.620   8.2606  284.484   7.9799 8.135986 11.48552 
1 1 1  -20    6   44 o   86.528   12.002   21.914   5.4064   15.646   8.0400   27.087   7.3044   73.669   19.780   99.387   13.601 -25.71798 24.00494 
1 1 1  -20    6   45 o  388.503   6.0787  410.591   12.760  410.463   18.166  410.716   17.927  388.426   8.6549  388.581   8.5377 -0.1555786 12.15732 
1 1 1  -20    6   46 o  169.855   6.7867   78.637   6.2277   80.969   8.8901   76.389   8.7267  172.336   9.5465  167.374   9.6488 4.962112 13.57333 
1 1 1  -20    6   47 o  153.086   7.3300   63.858   6.0317   55.247   8.2923   73.532   8.7895  142.087   10.800  164.085   9.9130 -21.99908 14.65994 
1 1 1  -20    6   48 o  206.110   5.9522  115.734   6.6226  117.967   9.6183  113.721   9.1322  207.967   8.5588  204.253   8.2741 3.714401 11.90437 
1 1 1  -20    6   49 o  143.254   7.6055   56.827   5.8226   52.380   8.6888   60.452   7.8445  137.923   11.658  148.586   9.7701 -10.66304 15.21094 
1 1 1  -20    6   50 o  167.991   6.7177   77.213   6.0929   81.790   8.7787   72.959   8.4632  172.813   9.4009  163.169   9.5986 9.643463 13.43539 
1 1 1  -20    6   51 o  138.179   7.9188   52.692   5.9095   54.963   8.5123   50.579   8.2104  141.059   11.168  135.299   11.230 5.759109 15.83764 
1 1 1  -20    6   52 o  226.484   5.9606  140.685   7.2688  126.327   10.222  155.370   10.338  214.636   8.8136  238.332   8.0272 -23.69673 11.92125 
1 1 1  -20    6   53 o  137.173   7.7299   51.227   5.6764   59.814   8.7742   45.046   7.4440  146.840   11.058  127.506   10.804 19.33414 15.45989 
1 1 1  -20    6   54 o  189.515   6.4311   98.918   6.5797   97.757   9.4798   99.997   9.1397  188.356   9.3139  190.675   8.8705 -2.318527 12.86219 
1 1 1  -20    6   55 o  124.593   8.8493   43.563   5.9476   44.640   8.7091   42.621   8.1420  125.924   12.799  123.262   12.224 2.661865 17.69862 
1 1 1  -20    6   56 o   48.460   13.661   3.9901   5.6127  -0.3902   8.2073   7.8383   7.6927   42.542   18.650   54.378   19.966 -11.83518 27.32158 
1 1 1  -20    6   57 o   74.681   13.987   17.228   5.7102   19.498   8.6212   15.453   7.6217   78.847   20.157   70.514   19.396 8.332802 27.97347 
1 1 1  -20    6   58 f   82.020   13.242   20.926   5.7528   18.494   8.2449   23.233   8.0307   76.723   19.765   87.317   17.628 -10.59417 26.48399 
1 1 1  -20    6   59 o   88.678   12.973   24.423   6.0042   23.704   8.7157   25.073   8.2831   86.958   19.073   90.398   17.590 -3.439224 25.94589 
1 1 1  -20    6   60 o   88.826   12.932   24.397   6.1155   32.165   9.0934   17.983   8.2634  103.522   16.256   74.131   20.116 29.39034 25.86302 
1 1 1  -20    6   61 o  124.862   9.7870   45.281   6.5806   49.212   9.8155   42.072   8.8691  129.635   14.012  120.088   13.668 9.547134 19.57397 
1 1 1  -20    6   62 o  106.847   16.528   37.598   9.5931   53.514   14.566   25.405   12.749  129.550   20.806   84.144   25.686 45.40682 33.05586 
1 1 1  -20    6   63 o   42.988   14.334  -5.2226   8.6399  -1.1223   12.694  -8.7613   11.793   46.274   21.426   39.703   19.048 6.570328 28.66874 
1 1 1  -20    6   64 o  137.591   19.933   62.860   14.820   62.860   14.820   0.0000   0.0000  137.591   19.933  ?   ?       ?      ? 
1 1 1  -20    6   65 o  105.067   17.475   44.360   9.8262   50.383   13.843   38.243   13.951  115.427   23.001   94.708   26.315 20.71921 34.95060 
1 1 1  -20    7    1 o  245.945   5.7638  158.713   7.1329  150.960   8.5416  176.577   12.965  236.334   6.6885  255.557   9.3888 -19.22345 11.52758 
1 1 1  -20    7    2 o  618.577   11.034  1034.81   36.881   0.0000   0.0000  1034.81   36.881  ?   ?   618.577   11.034      ?      ? 
1 1 1  -20    7    3 o  549.563   7.1028  816.641   21.093  810.164   29.779  823.163   29.880  547.376   10.068  551.751   10.022 -4.375671 14.20567 
1 1 1  -20    7    4 f  863.452   14.890  2017.83   69.476   0.0000   0.0000  2017.83   69.476  ?   ?   863.452   14.890      ?      ? 
1 1 1  -20    7    5 f  448.300   6.0970  543.271   14.769  535.622   20.798  551.051   20.976  445.116   8.6470  451.484   8.5978 -6.367065 12.19395 
1 1 1  -20    7    6 o  653.510   10.081  1162.94   33.725  1132.88   57.453  1178.74   41.658  646.858   16.437  660.161   11.678 -13.30334 20.16268 
1 1 1  -20    7    7 o  428.346   8.4523  496.324   19.560  494.144   27.924  498.423   27.406  427.417   12.091  429.275   11.815 -1.857635 16.90466 
1 1 1  -20    7    8 o  357.470   7.6168  345.674   14.708  337.838   20.889  353.378   20.713  353.446   10.937  361.494   10.604 -8.047943 15.23356 
1 1 1  -20    7    9 o  782.882   9.6386  1658.16   40.772  1641.10   57.214  1675.76   58.118  778.795   13.595  786.970   13.667 -8.175293 19.27728 
1 1 1  -20    7   10 o  177.895   4.9462   85.649   4.7394   84.065   6.9527   87.023   6.4776  176.355   7.2959  179.436   6.6806 -3.081497 9.892417 
1 1 1  -20    7   11 o  550.434   10.036  819.274   29.849   0.0000   0.0000  819.274   29.849  ?   ?   550.434   10.036      ?      ? 
1 1 1  -20    7   12 o  419.913   5.8856  476.011   13.345  457.745   18.460  496.010   19.316  411.487   8.3020  428.340   8.3451 -16.85266 11.77129 
1 1 1  -20    7   13 o  444.854   6.1180  534.528   14.700  517.446   20.422  552.895   21.176  437.485   8.6387  452.222   8.6656 -14.73666 12.23598 
1 1 1  -20    7   15 o  377.236   5.5726  384.668   11.359  379.722   15.990  389.708   16.139  374.788   7.8954  379.684   7.8664 -4.896790 11.14526 
1 1 1  -20    7   16 o  679.544   8.5345  1249.15   31.338  1238.06   44.063  1260.50   44.577  676.493   12.054  682.594   12.085 -6.101074 17.06904 
1 1 1  -20    7   17 o  324.338   5.2263  284.207   9.1525  287.993   13.243  280.744   12.663  326.403   7.5085  322.273   7.2717 4.129089 10.45251 
1 1 1  -20    7   18 o  692.205   8.6839  1295.75   32.472  1273.08   45.253  1319.80   46.622  685.973   12.208  698.437   12.353 -12.46344 17.36790 
1 1 1  -20    7   19 o  659.778   8.3303  1177.67   29.699  1177.70   42.130  1177.63   41.871  659.785   11.817  659.772   11.744 0.1263428E-01 16.66051 
1 1 1  -20    7   20 o  503.705   6.7556  686.060   18.387  676.487   25.858  695.849   26.150  500.151   9.5678  507.259   9.5400 -7.108459 13.51125 
1 1 1  -20    7   21 o  433.535   6.1426  508.245   14.390  505.230   20.377  511.243   20.324  432.251   8.7241  434.819   8.6497 -2.567566 12.28525 
1 1 1  -20    7   22 o  161.832   6.3033   70.859   5.5096   68.887   7.8296   72.793   7.7545  159.599   9.0787  164.066   8.7468 -4.467560 12.60670 
1 1 1  -20    7   23 o  501.186   6.7860  678.369   18.361  655.307   25.311  703.985   26.676  492.214   9.5163  510.158   9.6767 -17.94458 13.57203 
1 1 1  -20    7   24 o  372.655   5.8347  375.508   11.749  370.859   16.582  380.194   16.649  370.338   8.2860  374.973   8.2170 -4.634827 11.66949 
1 1 1  -20    7   25 o  221.089   6.0429  131.918   7.2101  127.176   9.8950  137.286   10.528  216.863   8.4438  225.314   8.6468 -8.451157 12.08576 
1 1 1  -20    7   26 o  384.508   6.0716  399.794   12.613  397.442   17.641  402.254   18.041  383.354   8.5158  385.662   8.6568 -2.307739 12.14329 
1 1 1  -20    7   27 o  342.743   6.0014  317.266   11.106  306.754   15.339  328.852   16.102  336.785   8.4285  348.701   8.5457 -11.91513 12.00286 
1 1 1  -20    7   28 o  283.290   5.9393  216.725   9.0759  212.038   12.416  222.103   13.300  280.012   8.2058  286.568   8.5889 -6.555786 11.87869 
1 1 1  -20    7   29 o  241.079   6.4899  157.599   8.4221  161.995   11.516  152.544   12.349  244.717   8.7084  237.441   9.6248 7.276886 12.97974 
1 1 1  -20    7   30 o  322.919   5.9939  281.932   10.456  291.625   14.984  272.734   14.596  328.327   8.4459  317.511   8.5073 10.81519 11.98776 
1 1 1  -20    7   31 o  141.523   8.6604   54.584   6.5639   62.931   9.2813   46.231   9.2842  152.442   11.267  130.604   13.155 21.83757 17.32085 
1 1 1  -20    7   32 o  488.706   6.8778  646.548   18.162  641.220   25.700  651.864   25.671  486.690   9.7722  490.722   9.6810 -4.031647 13.75564 
1 1 1  -20    7   33 o  231.274   6.2248  144.628   7.7743  140.240   10.760  149.420   11.245  227.612   8.7484  234.937   8.8577 -7.325485 12.44964 
1 1 1  -20    7   34 o  306.563   5.9180  254.332   9.8021  248.538   13.748  260.323   13.979  303.011   8.3965  310.116   8.3421 -7.105072 11.83598 
1 1 1  -20    7   35 o   50.916   22.198  -2.0815   11.486   0.0000   0.0000  -2.0815   11.486  ?   ?    50.916   22.198      ?      ? 
1 1 1  -20    7   37 o  515.771   14.277  724.324   39.790   0.0000   0.0000  724.324   39.790  ?   ?   515.771   14.277      ?      ? 
1 1 1  -20    7   38 o  256.423   5.9535  178.040   8.2373  180.894   12.018  175.511   11.313  258.342   8.6089  254.504   8.2259 3.838058 11.90709 
1 1 1  -20    7   39 o  353.131   5.9157  337.866   11.285  346.918   16.176  329.282   15.752  357.736   8.3679  348.525   8.3643 9.210876 11.83143 
1 1 1  -20    7   40 o  130.204   8.7144   46.164   6.1294   44.700   8.5605   47.703   8.7803  128.084   12.368  132.325   12.280 -4.240433 17.42887 
1 1 1  -20    7   41 o  182.979   6.6219   91.510   6.5063   81.716   9.3499  100.705   9.0597  173.361   9.9808  192.598   8.7051 -19.23697 13.24370 
1 1 1  -20    7   42 o  150.489   7.2441   61.164   5.8687   67.079   8.7711   56.370   7.8967  157.020   10.337  143.959   10.151 13.06145 14.48827 
1 1 1  -20    7   43 o   74.107   12.268   14.896   5.5543   27.077   8.0213   3.6761   7.6987   99.280   14.952   48.934   19.455 50.34642 24.53665 
1 1 1  -20    7   44 o  303.753   5.7118  250.563   9.3709  240.273   13.090  261.381   13.421  297.345   8.1468  310.161   8.0079 -12.81659 11.42350 
1 1 1  -20    7   45 o  207.510   6.3111  117.493   7.0589  112.391   10.207  122.172   9.7730  203.114   9.2993  211.906   8.5349 -8.791840 12.62227 
1 1 1  -20    7   46 o  111.222   9.3474   34.071   5.5906   33.569   8.2885   34.490   7.5725  110.365   13.898  112.079   12.503 -1.713753 18.69478 
1 1 1  -20    7   47 o   76.470   13.427   17.088   5.5437   14.917   7.7744   19.334   7.9073   71.495   19.558   81.445   18.401 -9.949982 26.85347 
1 1 1  -20    7   48 o  215.517   6.0295  126.439   7.0093  137.525   10.163  116.381   9.6805  224.543   8.3755  206.491   8.6758 18.05267 12.05897 
1 1 1  -20    7   49 o  244.615   5.9121  163.130   7.8102  169.776   11.270  156.988   10.834  249.403   8.3623  239.827   8.3598 9.575668 11.82427 
1 1 1  -20    7   50 o   61.374   13.406   10.168   5.3879   3.3142   7.6873   16.785   7.5537   47.493   19.247   75.254   18.666 -27.76113 26.81143 
1 1 1  -20    7   51 f  224.656   5.8818  137.277   7.1114  147.260   10.658  129.265   9.5479  231.909   8.5045  217.403   8.1275 14.50620 11.76361 
1 1 1  -20    7   52 o   62.295   13.354   10.318   5.3250   18.092   7.8953   3.8313   7.2124   77.588   18.986   47.002   18.784 30.58630 26.70813 
1 1 1  -20    7   53 o  178.084   6.6341   87.511   6.3544   85.729   9.3940   89.014   8.6277  176.230   9.8647  179.939   8.8733 -3.709137 13.26825 
1 1 1  -20    7   54 o   55.621   13.956   8.2944   5.4346   4.4809   8.3392   11.110   7.1651   49.977   20.118   61.265   19.347 -11.28869 27.91190 
1 1 1  -20    7   55 o  101.780   11.391   31.214   5.8673   22.375   8.5176   39.196   8.0939   85.618   18.915  117.940   12.700 -32.32205 22.78282 
1 1 1  -20    7   56 o   51.502   13.364   5.8258   5.4176  -1.2340   8.0638   11.634   7.3143   41.089   18.229   61.914   19.547 -20.82500 26.72795 
1 1 1  -20    7   57 f   73.221   13.496   17.083   5.6571   10.425   8.4193   22.564   7.6384   59.862   21.021   86.581   16.933 -26.71899 26.99280 
1 1 1  -20    7   58 o  187.234   6.8639   97.410   6.9157  101.364   10.337   94.207   9.3047  190.456   10.044  184.013   9.3576 6.442841 13.72781 
1 1 1  -20    7   59 o   95.576   12.024   27.602   6.0366   27.119   8.9758   28.001   8.1570   93.465   18.427   97.686   15.453 -4.220886 24.04876 
1 1 1  -20    7   60 f  187.730   7.0941   99.174   7.1779  104.225   10.621   94.928   9.7382  191.944   10.240  183.516   9.8202 8.428375 14.18812 
1 1 1  -20    7   62 o   84.207   18.361   26.243   9.3909   32.680   13.496   20.200   13.075   94.344   25.752   74.070   26.179 20.27431 36.72202 
1 1 1  -20    7   63 o   39.883   19.318 -11.4662   12.846 -11.4662   12.846   0.0000   0.0000   39.883   19.318  ?   ?       ?      ? 
1 1 1  -20    7   64 o   34.468   12.123 -22.7306   8.8428 -19.6712   12.485 -25.8108   12.527   35.626   17.616   33.310   16.660 2.315624 24.24636 
1 1 1  -20    8    1 o  814.169   12.290  1794.24   50.995  1792.14   62.467  1798.42   88.295  813.782   14.206  814.557   20.060 -0.7747803 24.58039 
1 1 1  -20    8    2 f  321.730   5.1838  279.832   9.0108  275.258   12.780  284.352   12.707  319.114   7.4113  324.346   7.2499 -5.231750 10.36769 
1 1 1  -20    8    3 o  368.057   7.6000  366.175   15.115   0.0000   0.0000  366.175   15.115  ?   ?   368.057   7.6000      ?      ? 
1 1 1  -20    8    5 o  695.961   10.820  1280.99   37.068  1384.01   69.640  1240.26   43.786  714.783   18.030  677.139   11.967 37.64478 21.63986 
1 1 1  -20    8    6 o  641.718   11.537  1114.20   39.990  1087.16   55.567  1143.24   57.597  633.657   16.228  649.780   16.404 -16.12299 23.07465 
1 1 1  -20    8    7 f  379.635   7.9947  387.151   16.344  354.279   22.076  427.027   24.315  361.923   11.288  397.347   11.324 -35.42365 15.98941 
1 1 1  -20    8    8 o  282.628   6.0124  216.639   8.7867  218.352   10.962  213.559   14.697  284.222   7.1372  281.034   9.6777 3.187225 12.02485 
1 1 1  -20    8    9 f  639.284   8.0856  1105.40   27.931  1098.47   39.399  1112.39   39.604  637.271   11.441  641.297   11.428 -4.025330 16.17127 
1 1 1  -20    8   10 o  409.930   5.8172  453.776   12.872  464.791   18.724  443.904   17.725  414.638   8.3567  405.222   8.0947 9.416443 11.63435 
1 1 1  -20    8   11 o  314.747   5.1386  267.572   8.7330  253.319   12.181  282.644   12.527  306.128   7.3638  323.366   7.1690 -17.23807 10.27714 
1 1 1  -20    8   12 o  273.715   4.9570  202.400   7.3166  204.139   10.718  200.882   10.012  274.812   7.2175  272.618   6.7967 2.194336 9.914002 
1 1 1  -20    8   13 o  311.220   7.1550  261.811   12.033   0.0000   0.0000  261.811   12.033  ?   ?   311.220   7.1550      ?      ? 
1 1 1  -20    8   14 o  105.815   7.4973   30.205   4.2626   30.985   6.4125   29.587   5.7058  107.031   11.087  104.598   10.095 2.433090 14.99454 
1 1 1  -20    8   15 o  826.716   10.168  1849.95   45.422  1853.17   64.529  1846.79   63.947  827.423   14.432  826.010   14.327 1.413086 20.33595 
1 1 1  -20    8   16 o  1080.44   13.050  3163.54   76.188  3150.90  107.468  3176.32  108.026  1078.27   18.444  1082.60   18.466 -4.337891 26.09951 
1 1 1  -20    8   17 o  623.381   7.9770  1051.16   26.869  1052.85   38.257  1049.51   37.744  623.872   11.348  622.891   11.214 0.9809570 15.95395 
1 1 1  -20    8   18 o  682.771   8.6008  1261.36   31.732  1260.04   44.993  1262.66   44.759  682.412   12.201  683.129   12.125 -0.7169189 17.20163 
1 1 1  -20    8   19 o  101.626   8.7443   27.434   4.7545   33.297   7.2768   23.067   6.2803  110.928   12.140   92.323   12.589 18.60578 17.48868 
1 1 1  -20    8   20 o  1160.40   13.988  3654.04   87.711  3636.70  123.625  3671.63  124.463  1157.63   19.763  1163.17   19.802 -5.536011 27.97662 
1 1 1  -20    8   21 f  489.019   6.6901  646.792   17.676  647.776   25.239  645.844   24.762  489.379   9.5441  488.658   9.3777 0.7210693 13.38026 
1 1 1  -20    8   22 o  208.436   5.8013  116.951   6.5191  126.118   9.6134  109.146   8.8702  215.964   8.2378  200.908   8.1705 15.05551 11.60251 
1 1 1  -20    8   23 o  606.314   7.8756  994.708   25.803  989.188   36.498  1000.22   36.483  604.629   11.171  607.998   11.104 -3.368713 15.75119 
1 1 1  -20    8   24 o  545.748   7.2995  805.741   21.526  799.728   30.358  811.821   30.528  543.699   10.333  547.796   10.313 -4.096802 14.59906 
1 1 1  -20    8   25 o  487.132   6.8143  641.627   17.931  630.442   24.976  653.525   25.760  482.756   9.5741  491.507   9.6991 -8.750549 13.62853 
1 1 1  -20    8   26 o  412.356   6.3310  459.651   14.103  448.427   19.655  471.560   20.246  407.172   8.9332  417.541   8.9735 -10.36856 12.66198 
1 1 1  -20    8   27 o  267.076   6.2530  190.695   8.9696  172.142   11.921  214.900   13.617  252.281   8.7449  281.871   8.9401 -29.58900 12.50591 
1 1 1  -20    8   28 o  436.275   6.4847  514.586   15.282  501.338   21.278  528.700   21.963  430.480   9.1474  442.069   9.1941 -11.58838 12.96939 
1 1 1  -20    8   29 o  616.088   8.0572  1027.92   26.823  1025.03   38.015  1030.78   37.852  615.222   11.435  616.955   11.354 -1.733337 16.11442 
1 1 1  -20    8   30 o  333.174   6.0106  300.406   10.817  295.477   15.424  305.177   15.176  330.476   8.6369  335.871   8.3615 -5.394958 12.02122 
1 1 1  -20    8   31 o  488.511   6.9018  645.975   18.216  647.333   26.034  644.672   25.496  489.006   9.8523  488.017   9.6682 0.9888916 13.80368 
1 1 1  -20    8   32 o  379.041   6.1598  388.987   12.612  376.824   17.832  401.160   17.840  373.101   8.8449  384.982   8.5755 -11.88116 12.31957 
1 1 1  -20    8   33 o  609.871   8.0010  1007.99   26.358  1020.62   37.867  996.125   36.712  613.555   11.421  606.186   11.208 7.369751 16.00200 
1 1 1  -20    8   34 o  503.450   10.074  688.787   27.379  687.612   39.570  689.865   37.922  502.975   14.559  503.926   13.926 -0.9506836 20.14718 
1 1 1  -20    8   37 o  348.676   5.9358  329.488   11.181  327.009   15.955  331.881   15.673  347.374   8.5000  349.978   8.2877 -2.603760 11.87163 
1 1 1  -20    8   38 o  452.589   6.5432  555.547   16.001  544.524   22.499  566.825   22.760  448.040   9.2931  457.138   9.2136 -9.098114 13.08637 
1 1 1  -20    8   39 o  168.710   7.0532   77.748   6.3928   70.711   9.2482   84.187   8.8466  161.299   10.611  176.120   9.2957 -14.82039 14.10649 
1 1 1  -20    8   40 o  280.895   5.7919  214.644   8.7640  204.684   12.716  223.655   12.096  274.617   8.5690  287.173   7.7947 -12.55643 11.58383 
1 1 1  -20    8   41 o  359.694   5.9665  351.275   11.593  344.735   16.507  357.639   16.285  356.363   8.5721  363.025   8.3014 -6.661713 11.93297 
1 1 1  -20    8   42 o  263.722   5.7740  188.778   8.2269  189.808   11.756  187.790   11.517  264.417   8.2280  263.027   8.1028 1.390015 11.54793 
1 1 1  -20    8   43 o  277.155   5.7856  209.098   8.6452  201.142   12.501  216.390   11.968  272.031   8.5045  282.279   7.8464 -10.24857 11.57123 
1 1 1  -20    8   44 o  331.985   5.7934  299.717   10.384  298.001   14.978  301.304   14.408  331.024   8.3736  332.946   8.0085 -1.921997 11.58680 
1 1 1  -20    8   45 o  180.034   6.6910   88.173   6.4902   90.687   9.6062   86.062   8.8033  182.340   9.7495  177.728   9.1664 4.612503 13.38194 
1 1 1  -20    8   46 o   73.073   13.857   15.307   5.5631   17.992   8.4632   13.264   7.3821   78.404   19.932   67.742   19.256 10.66173 27.71472 
1 1 1  -20    8   47 o  217.111   6.0415  128.519   7.0684  129.314   10.403  127.838   9.6339  217.661   8.8445  216.561   8.2326 1.099319 12.08307 
1 1 1  -20    8   48 o  176.030   6.7538   84.180   6.3989   94.918   9.4962   75.249   8.6602  186.265   9.4347  165.795   9.6665 20.46951 13.50762 
1 1 1  -20    8   49 o  103.000   9.9846   29.612   5.5139   29.005   8.2772   30.097   7.3931  101.840   15.041  104.160   13.135 -2.319336 19.96914 
1 1 1  -20    8   50 f  252.561   5.8836  174.412   8.0137  159.958   11.189  189.633   11.482  241.730   8.5662  263.393   8.0676 -21.66251 11.76712 
1 1 1  -20    8   51 o  161.837   7.1856   73.009   6.2065   63.146   9.0545   81.750   8.5242  151.106   11.089  172.568   9.1412 -21.46255 14.37111 
1 1 1  -20    8   52 o  162.326   7.1296   72.830   6.2367   71.898   9.1283   73.646   8.5409  161.211   10.479  163.442   9.6705 -2.231201 14.25916 
1 1 1  -20    8   53 o  115.795   9.3716   37.786   5.7903   36.917   8.8502   38.436   7.6563  114.249   14.335  117.341   12.075 -3.092232 18.74312 
1 1 1  -20    8   54 o  195.965   6.6446  105.763   7.0188  110.490   10.373  101.771   9.5323  199.896   9.6031  192.033   9.1861 7.862549 13.28924 
1 1 1  -20    8   55 f  232.807   6.3857  149.645   8.0274  152.700   11.617  146.853   11.106  235.012   9.1476  230.602   8.9123 4.409973 12.77133 
1 1 1  -20    8   56 f  163.070   7.5434   74.366   6.6382   72.495   9.5564   76.110   9.2279  160.922   10.990  165.219   10.336 -4.296524 15.08671 
1 1 1  -20    8   57 o  145.077   8.1653   58.900   6.3735   67.075   9.3570   51.825   8.7051  154.589   11.201  135.565   11.883 19.02322 16.33052 
1 1 1  -20    8   58 o   84.283   14.065   22.684   6.2943   21.083   9.3617   24.005   8.5031   80.696   21.196   87.870   18.493 -7.174751 28.12943 
1 1 1  -20    8   59 o   69.015   14.321   15.670   6.0677   9.0614   9.0023   21.172   8.2140   56.539   21.429   81.491   19.003 -24.95180 28.64107 
1 1 1  -20    8   60 o   81.105   14.765   22.187   6.5338   19.328   9.9893   24.324   8.6378   75.072   22.697   87.137   18.890 -12.06482 29.52926 
1 1 1  -20    8   61 o  252.420   9.1281  183.563   12.426  188.243   18.233  179.505   16.980  255.013   13.232  249.827   12.578 5.186203 18.25611 
1 1 1  -20    8   62 o   77.595   18.088   24.213   9.3535   15.437   13.348   32.680   13.111   64.117   25.577   91.073   25.585 -26.95621 36.17685 
1 1 1  -20    8   63 o   51.489   16.496   1.2944   10.022   7.5991   14.412  -4.6104   13.947   56.556   24.755   46.421   21.810 10.13497 32.99251 
1 1 1  -20    8   64 o   51.397   16.041   5.7158   8.8312   1.8061   12.704   9.3716   12.285   47.978   21.929   54.817   23.417 -6.838783 32.08150 
1 1 1  -20    9    1 o  177.065   5.4179   84.867   5.1220   83.985   7.8539   85.520   6.7566  176.256   8.2462  177.874   7.0296 -1.618088 10.83579 
1 1 1  -20    9    2 o  175.536   6.7692   83.868   6.1163   85.168   7.6046   81.486   10.293  177.497   7.9286  173.576   10.974 3.921204 13.53841 
1 1 1  -20    9    3 o  411.723   5.9012  457.689   13.110  468.562   19.154  448.106   17.981  416.312   8.5145  407.133   8.1730 9.178802 11.80235 
1 1 1  -20    9    4 o  348.427   11.464  328.378   21.584  328.378   21.584   0.0000   0.0000  348.427   11.464  ?   ?       ?      ? 
1 1 1  -20    9    5 o  404.292   8.4479  440.128   18.413  406.757   25.094  479.054   27.102  387.765   11.976  420.820   11.918 -33.05469 16.89576 
1 1 1  -20    9    6 o  239.864   7.4029  154.138   9.5216  167.005   14.591  144.595   12.566  248.492   10.866  231.236   10.057 17.25552 14.80573 
1 1 1  -20    9    7 o  141.456   7.2575   50.134   5.2937   41.656   6.4168   68.198   9.3662  124.118   9.5675  158.793   10.915 -34.67478 14.51497 
1 1 1  -20    9    9 o  737.159   9.1851  1469.66   36.576  1443.70   50.960  1497.25   52.529  730.453   12.911  743.865   13.068 -13.41156 18.37015 
1 1 1  -20    9   10 o  833.949   10.264  1882.53   46.254  1881.15   65.551  1883.90   65.276  833.641   14.552  834.258   14.480 -0.6165771 20.52852 
1 1 1  -20    9   11 o  547.094   7.1765  809.145   21.207  818.352   30.516  800.546   29.491  550.097   10.266  544.091   10.031 6.006165 14.35298 
1 1 1  -20    9   12 o  114.438   9.4478   35.411   5.8424   0.0000   0.0000   35.411   5.8424  ?   ?   114.438   9.4478      ?      ? 
1 1 1  -20    9   13 o  706.281   8.8596  1349.62   33.811  1351.78   48.073  1347.51   47.563  706.836   12.586  705.726   12.472 1.109375 17.71924 
1 1 1  -20    9   14 o  559.150   7.3239  844.701   22.117  820.008   30.666  871.470   31.928  550.645   10.306  567.655   10.409 -17.01019 14.64788 
1 1 1  -20    9   15 o  230.479   5.2362  142.592   6.4887  153.364   9.7892  134.150   8.6660  238.186   7.6058  222.772   7.1989 15.41335 10.47247 
1 1 1  -20    9   16 o  708.349   8.9112  1357.78   34.109  1352.04   48.256  1363.51   48.219  706.851   12.634  709.846   12.571 -2.995178 17.82243 
1 1 1  -20    9   17 o  401.530   5.9430  436.005   12.892  425.547   18.248  446.426   18.215  396.718   8.5121  406.341   8.2959 -9.623260 11.88598 
1 1 1  -20    9   18 o  279.126   7.4041  210.632   11.168   0.0000   0.0000  210.632   11.168  ?   ?   279.126   7.4041      ?      ? 
1 1 1  -20    9   19 f  420.184   6.1263  477.527   13.907  469.453   19.728  485.503   19.609  416.649   8.7624  423.720   8.5642 -7.071014 12.25253 
1 1 1  -20    9   20 o  276.168   5.5224  206.555   8.2275  197.726   11.807  214.890   11.471  270.414   8.0801  281.922   7.5300 -11.50742 11.04483 
1 1 1  -20    9   21 o   64.108   13.472   11.309   5.0394   9.6507   7.3356   12.791   6.9349   60.616   19.623   67.600   18.463 -6.983627 26.94330 
1 1 1  -20    9   22 o  201.081   6.1398  109.216   6.6430  110.697   9.8906  107.998   8.9665  202.315   9.0471  199.848   8.3030 2.466660 12.27961 
1 1 1  -20    9   23 o  600.729   7.8580  976.293   25.505  959.968   35.726  993.260   36.422  595.610   11.100  605.847   11.125 -10.23767 15.71594 
1 1 1  -20    9   24 o  310.479   5.8573  260.365   9.8141  266.759   14.314  254.693   13.482  314.066   8.4343  306.891   8.1298 7.174591 11.71458 
1 1 1  -20    9   25 o  409.145   6.2965  452.701   13.917  455.901   19.945  449.665   19.428  410.550   8.9904  407.741   8.8178 2.809052 12.59291 
1 1 1  -20    9   26 o  410.810   8.9251  456.483   19.813   0.0000   0.0000  456.483   19.813  ?   ?   410.810   8.9251      ?      ? 
1 1 1  -20    9   27 o  994.671   12.162  2685.80   65.368  2678.03   92.388  2693.58   92.501  993.228   17.214  996.114   17.185 -2.885925 24.32369 
1 1 1  -20    9   28 o  377.245   6.2328  385.092   12.704  378.082   17.986  392.072   17.946  373.813   8.9041  380.677   8.7242 -6.864349 12.46570 
1 1 1  -20    9   29 o  358.294   6.1138  347.307   11.835  347.959   16.877  346.676   16.602  358.622   8.7091  357.967   8.5829 0.6543579 12.22757 
1 1 1  -20    9   30 o  536.897   7.3258  780.495   21.251  781.305   30.309  779.711   29.804  537.162   10.442  536.632   10.278 0.5299072 14.65167 
1 1 1  -20    9   31 o  344.779   6.0490  321.810   11.266  319.054   16.105  324.451   15.765  343.324   8.6810  346.234   8.4262 -2.909851 12.09800 
1 1 1  -20    9   32 o  222.439   6.4152  132.980   7.6823  147.345   11.456  121.241   10.356  233.273   9.0883  211.604   9.0567 21.66835 12.83048 
1 1 1  -20    9   33 o  392.422   8.8189  417.598   18.675  423.198   27.211  412.613   25.676  394.868   12.753  389.976   12.184 4.892395 17.63773 
1 1 1  -20    9   36 o   64.630   16.194   9.4396   7.1024   6.2528   9.3534   13.779   10.915   57.021   21.787   72.239   23.966 -15.21740 32.38890 
1 1 1  -20    9   37 o  281.641   6.0151  215.036   9.1519  214.130   13.079  215.904   12.811  281.048   8.6117  282.233   8.4002 -1.184570 12.03017 
1 1 1  -20    9   38 o  197.155   6.8295  104.811   7.2503  114.562   10.814   96.849   9.7721  205.420   9.7421  188.889   9.5740 16.53067 13.65904 
1 1 1  -20    9   39 o  183.820   6.8713   91.129   6.7890   98.316   10.264   85.539   9.0519  190.186   9.9874  177.455   9.4398 12.73116 13.74254 
1 1 1  -20    9   40 o  329.176   5.9045  294.138   10.500  288.637   14.910  299.551   14.790  326.103   8.4612  332.250   8.2379 -6.147339 11.80908 
1 1 1  -20    9   41 o  311.218   5.8372  262.954   9.8119  261.227   14.066  264.590   13.694  310.199   8.3916  312.237   8.1162 -2.038177 11.67438 
1 1 1  -20    9   42 o  389.910   6.1795  413.257   13.005  413.272   18.839  413.244   17.976  389.861   8.9424  389.958   8.5309 -0.9756470E-01 12.35893 
1 1 1  -20    9   43 o  141.323   7.8951   54.299   6.0092   57.929   8.9550   51.325   8.1050  145.567   11.384  137.079   10.942 8.487350 15.79025 
1 1 1  -20    9   44 o  223.928   6.2024  136.303   7.4690  138.481   11.161  134.536   10.051  225.469   9.1607  222.386   8.3643 3.083206 12.40483 
1 1 1  -20    9   45 o  100.351   10.690   27.835   5.7681   28.257   8.6234   27.494   7.7595  100.925   15.812   99.777   14.392 1.148018 21.38098 
1 1 1  -20    9   46 o   53.609   12.480   4.2592   5.1859   15.392   7.5977  -5.4518   7.0960   72.524   19.116   34.693   16.048 37.83102 24.95977 
1 1 1  -20    9   47 o  266.351   5.8261  193.476   8.3788  183.551   11.777  203.648   11.923  259.384   8.4026  273.317   8.0729 -13.93301 11.65226 
1 1 1  -20    9   48 o  112.718   14.226   35.361   8.6648   35.361   8.6648   0.0000   0.0000  112.718   14.226  ?   ?       ?      ? 
1 1 1  -20    9   49 o  259.919   5.8437  183.783   8.1588  192.394   12.336  177.086   10.878  265.179   8.6086  254.660   7.9050 10.51912 11.68745 
1 1 1  -20    9   50 o  233.291   5.9285  148.617   7.4347  152.404   11.154  145.590   9.9730  235.822   8.7533  230.760   7.9979 5.062943 11.85696 
1 1 1  -20    9   51 o  172.134   6.9262   80.243   6.3858   95.530   9.7740   68.857   8.4349  186.220   9.7132  158.048   9.8766 28.17224 13.85250 
1 1 1  -20    9   52 o   39.447   12.369  -2.1286   5.3471  -5.3696   7.6781   0.9233   7.4508   36.033   16.677   42.861   18.271 -6.828659 24.73805 
1 1 1  -20    9   53 o  117.400   9.4224   38.827   5.9522   39.000   8.8338   38.683   8.0553  117.418   13.923  117.382   12.700 0.3560638E-01 18.84482 
1 1 1  -20    9   54 o  160.415   7.7162   72.065   6.6353   68.728   9.8835   74.804   8.9527  156.660   11.675  164.171   10.092 -7.510315 15.43234 
1 1 1  -20    9   55 o   71.703   14.004   15.595   5.7549   21.519   8.5569   10.702   7.7763   83.348   19.368   60.058   20.233 23.28942 28.00889 
1 1 1  -20    9   56 o   51.454   13.709   5.1655   5.8110  -2.7728   8.6557   11.679   7.8406   40.804   18.432   62.105   20.298 -21.30175 27.41777 
1 1 1  -20    9   57 o  114.535   11.520   40.446   6.5578   27.701   9.5638   51.757   9.0092   94.120   19.448  134.950   12.354 -40.82997 23.04008 
1 1 1  -20    9   58 o  275.955   6.2479  211.044   9.2744  216.473   13.860  206.642   12.480  278.846   9.1982  273.064   8.4581 5.781921 12.49585 
1 1 1  -20    9   59 f   74.101   15.137   18.483   6.3724   18.915   9.6077   18.144   8.5148   74.376   22.209   73.825   20.575 0.5516891 30.27477 
1 1 1  -20    9   60 o   61.004   16.830   10.468   7.6880   13.216   13.148   9.0398   9.4768   65.262   25.589   56.746   21.869 8.515717 33.66056 
1 1 1  -20    9   61 o  119.484   15.138   46.407   9.5345   52.342   14.445   41.824   12.692  126.986   21.051  111.983   21.759 15.00353 30.27521 
1 1 1  -20    9   62 o  105.337   16.474   42.901   9.6346   27.387   13.694   58.108   13.558   79.287   26.849  131.387   19.096 -52.09978 32.94755 
1 1 1  -20    9   63 o   65.490   17.432   12.605   9.4142   29.459   14.206  -0.5935   12.571   83.789   27.319   47.191   21.659 36.59796 34.86308 
1 1 1  -20   10    1 o  707.768   10.958  1365.05   39.606  1329.28   67.788  1383.58   48.802  700.433   17.910  715.104   12.629 -14.67059 21.91512 
1 1 1  -20   10    2 o  167.357   5.8850   75.931   5.2890   73.686   7.8680   77.781   7.1438  165.088   8.8198  169.626   7.7938 -4.537994 11.76998 
1 1 1  -20   10    3 o  296.173   7.9325  237.346   12.655  213.198   17.698  262.613   18.103  280.739   11.666  311.608   10.751 -30.86853 15.86494 
1 1 1  -20   10    4 o  602.998   11.132  984.190   36.251  994.369   52.296  974.775   50.295  605.979   15.971  600.017   15.512 5.962280 22.26401 
1 1 1  -20   10    5 o  521.669   9.9862  736.620   28.148  726.576   39.848  746.622   39.767  518.113   14.233  525.226   14.012 -7.112732 19.97248 
1 1 1  -20   10    6 o  416.999   6.0438  468.806   13.599  443.375   18.655  497.645   19.866  404.965   8.5250  429.033   8.5692 -24.06744 12.08751 
1 1 1  -20   10    7 o  245.975   7.0787  163.543   9.4088   0.0000   0.0000  163.543   9.4088  ?   ?   245.975   7.0787      ?      ? 
1 1 1  -20   10    8 o  743.426   9.2669  1495.48   37.227  1485.52   52.485  1505.56   52.809  740.935   13.109  745.916   13.102 -4.980835 18.53377 
1 1 1  -20   10    9 o  400.020   5.8765  432.186   12.696  414.733   17.662  450.847   18.263  391.671   8.3450  408.370   8.2760 -16.69925 11.75298 
1 1 1  -20   10   10 f  472.429   6.5115  603.340   16.615  607.793   23.905  599.178   23.109  474.110   9.3309  470.748   9.0847 3.362610 13.02293 
1 1 1  -20   10   11 o  696.791   8.7997  1312.32   33.102  1342.76   48.055  1284.82   45.664  704.460   12.624  689.122   12.263 15.33795 17.59946 
1 1 1  -20   10   12 o  186.590   5.7593   94.240   5.7844   92.756   8.5291   95.503   7.8711  185.224   8.5216  187.957   7.7498 -2.733322 11.51855 
1 1 1  -20   10   13 o  1264.12   15.211  4336.79  103.903  4325.50  146.823  4348.12  147.060  1262.47   21.522  1265.77   21.501 -3.303101 30.42167 
1 1 1  -20   10   14 f  523.853   7.0538  741.651   19.949  753.956   28.937  730.506   27.539  527.982   10.143  519.724   9.8058 8.257690 14.10764 
1 1 1  -20   10   15 o  402.830   6.0087  438.395   13.062  445.584   19.038  432.001   17.953  405.941   8.6791  399.719   8.3120 6.222015 12.01734 
1 1 1  -20   10   16 o  124.186   7.7452   41.852   5.1519   40.705   7.7615   42.755   6.8882  122.648   11.711  125.723   10.139 -3.074905 15.49041 
1 1 1  -20   10   17 o  169.469   6.5570   79.423   5.8670   62.964   8.5728   93.924   8.0467  152.559   10.399  186.378   7.9898 -33.81873 13.11399 
1 1 1  -20   10   18 o  769.033   9.6011  1601.32   39.892  1610.04   56.989  1592.95   55.859  771.071   13.678  766.994   13.478 4.077393 19.20210 
1 1 1  -20   10   19 o  412.829   6.1692  460.632   13.756  440.970   19.227  481.245   19.687  403.806   8.8117  421.851   8.6365 -18.04495 12.33841 
1 1 1  -20   10   20 o  851.558   10.523  1964.23   48.422  1947.94   68.072  1980.91   68.893  847.989   14.856  855.128   14.909 -7.139404 21.04696 
1 1 1  -20   10   21 f  298.853   5.7483  241.993   9.2641  229.347   13.282  253.975   12.928  291.224   8.4401  306.481   7.8063 -15.25702 11.49663 
1 1 1  -20   10   22 o  150.673   7.6347   61.607   6.1958   58.679   8.9959   64.249   8.5459  147.246   11.306  154.099   10.263 -6.852707 15.26938 
1 1 1  -20   10   23 o  250.443   6.1317  169.441   8.2915  174.442   12.021  164.903   11.452  253.961   8.7596  246.925   8.5825 7.036026 12.26336 
1 1 1  -20   10   24 o  324.070   5.9890  284.214   10.481  276.652   14.961  291.501   14.686  319.827   8.6568  328.312   8.2783 -8.484985 11.97792 
1 1 1  -20   10   25 o  221.007   6.5376  132.067   7.8008  133.653   11.295  130.622   10.786  222.270   9.4045  219.744   9.0838 2.525757 13.07513 
1 1 1  -20   10   26 o  377.703   6.2333  385.656   12.706  391.481   18.502  380.457   17.479  380.390   9.0012  375.017   8.6253 5.373199 12.46665 
1 1 1  -20   10   27 o  319.690   6.1258  276.881   10.561  256.316   14.931  297.465   14.938  307.780   8.9778  331.600   8.3367 -23.81989 12.25165 
1 1 1  -20   10   28 o  990.050   12.126  2662.57   64.872  2667.45   92.158  2657.79   91.335  990.928   17.211  989.172   17.087 1.756775 24.25268 
1 1 1  -20   10   29 o  117.890   10.429   38.031   6.5560   30.915   9.2551   45.198   9.2882  106.680   16.055  129.100   13.314 -22.41976 20.85744 
1 1 1  -20   10   30 o  496.810   6.9939  668.638   18.772  658.411   26.685  678.656   26.411  493.034   10.016  500.587   9.7639 -7.553528 13.98771 
1 1 1  -20   10   31 o  305.902   6.0623  253.278   10.015  254.583   14.428  252.065   13.914  306.653   8.7068  305.152   8.4379 1.501068 12.12461 
1 1 1  -20   10   32 o  391.245   8.8710  415.274   18.749  401.351   26.270  429.730   26.768  384.550   12.642  397.940   12.448 -13.39023 17.74200 
1 1 1  -20   10   35 o  384.601   7.6621  392.961   15.064  376.106   18.339  427.928   26.414  372.465   9.1117  396.738   12.321 -24.27274 15.32414 
1 1 1  -20   10   36 o  430.684   6.4567  503.173   15.019  498.663   21.528  507.449   20.963  428.775   9.2917  432.594   8.9677 -3.818573 12.91332 
1 1 1  -20   10   37 o   68.920   14.212   13.019   5.6502   16.585   8.4909   10.185   7.5694   76.221   20.266   61.620   19.931 14.60087 28.42465 
1 1 1  -20   10   38 o  106.603   10.568   31.005   6.0689   34.617   8.8454   27.793   8.3422  112.485   14.552  100.721   15.328 11.76402 21.13542 
1 1 1  -20   10   39 o  187.042   6.8756   94.892   6.9343  104.074   10.041   86.521   9.5880  195.700   9.4951  178.385   9.9468 17.31500 13.75117 
1 1 1  -20   10   40 o  133.090   8.5826   47.841   6.1395   53.415   9.2795   43.501   8.1877  139.901   12.275  126.280   11.999 13.62100 17.16518 
1 1 1  -20   10   41 o  200.113   6.4710  108.440   6.9791  115.199   10.337  102.779   9.4605  205.798   9.2957  194.429   9.0046 11.36974 12.94195 
1 1 1  -20   10   42 o  209.884   6.3876  119.839   7.2229  120.551   10.647  119.233   9.8312  210.404   9.3645  209.364   8.6899 1.040085 12.77527 
1 1 1  -20   10   43 o   55.180   14.152   6.9674   5.4850   9.4820   8.0606   4.7989   7.4852   60.148   20.598   50.213   19.412 9.935295 28.30376 
1 1 1  -20   10   44 o  156.752   7.4107   67.315   6.2569   64.578   9.1038   69.765   8.6138  153.641   10.966  159.863   9.9714 -6.222183 14.82132 
1 1 1  -20   10   45 o  385.432   6.1527  405.028   12.808  405.346   18.422  404.730   17.818  385.521   8.8429  385.342   8.5573 0.1789856 12.30542 
1 1 1  -20   10   46 o  163.062   7.2875   72.865   6.4123   73.072   9.3228   72.679   8.8337  163.222   10.570  162.902   10.035 0.3201141 14.57508 
1 1 1  -20   10   47 o  170.298   6.9646   78.194   6.3459   88.613   9.8560   70.816   8.2939  179.760   10.147  160.835   9.5431 18.92535 13.92920 
1 1 1  -20   10   48 o  189.072   6.7107   98.510   6.7755   94.386   10.279  101.680   9.0102  185.321   10.264  192.822   8.6474 -7.500626 13.42134 
1 1 1  -20   10   49 f   91.449   12.145   25.094   5.7273   18.695   8.5664   30.267   7.7016   78.841   20.059  104.057   13.697 -25.21568 24.28922 
1 1 1  -20   10   50 f  240.870   6.1329  158.295   7.9601  169.972   11.810  148.574   10.775  248.925   8.7801  232.814   8.5651 16.11073 12.26588 
1 1 1  -20   10   51 f   41.519   12.532  -3.5567   5.4621   6.3316   8.2639 -11.2280   7.2788   53.077   20.431   29.962   14.520 23.11440 25.06484 
1 1 1  -20   10   52 o   86.594   12.269   23.697   5.6614   11.039   8.2803   34.808   7.7581   61.813   20.878  111.374   12.891 -49.56072 24.53724 
1 1 1  -20   10   53 o  238.864   6.1202  156.534   7.8558  162.870   11.839  151.549   10.501  242.971   9.0171  234.757   8.2777 8.214554 12.24042 
1 1 1  -20   10   54 f   42.262   13.124  -0.7273   5.8275  -3.2003   8.4983   1.4676   8.0062   40.060   18.164   44.464   18.947 -4.403450 26.24734 
1 1 1  -20   10   55 o  136.261   8.8112   53.178   6.3892   44.919   9.2968   60.570   8.7954  125.463   13.713  147.059   11.068 -21.59596 17.62239 
1 1 1  -20   10   56 o   44.140   13.448   0.8818   5.8807  -1.6000   8.6996   2.9700   7.9801   42.020   18.769   46.261   19.265 -4.240856 26.89660 
1 1 1  -20   10   57 o  202.093   6.8396  113.378   7.4161  118.889   11.278  109.179   9.8438  206.088   10.127  198.098   9.1959 7.989883 13.67926 
1 1 1  -20   10   58 o   67.298   14.537   14.918   6.3044   7.1288   9.4921   21.066   8.4330   53.813   21.534   80.783   19.533 -26.97040 29.07331 
1 1 1  -20   10   59 o   54.905   15.261   8.0121   6.5754   8.7739   10.053   7.4424   8.6931   56.627   22.320   53.183   20.819 3.443436 30.52256 
1 1 1  -20   10   60 o  156.698   12.603   74.973   10.662   71.284   15.002   78.739   15.156  152.399   18.218  160.997   17.421 -8.597397 25.20649 
1 1 1  -20   10   61 o   57.802   17.464   10.116   9.6659   11.000   13.775   9.2590   13.566   58.763   24.941   56.841   24.453 1.921844 34.92887 
1 1 1  -20   10   62 o   51.436   16.240  -0.1056   9.4673   12.858   14.443  -9.8716   12.536   61.903   25.861   40.969   19.651 20.93351 32.47958 
1 1 1  -20   10   63 o   63.711   18.236   16.957   10.093   10.982   15.554   21.302   13.264   57.730   25.478   69.693   26.099 -11.96292 36.47298 
1 1 1  -20   11    1 o  950.365   11.643  2442.57   59.717  2516.01   87.150  2377.56   81.991  963.773   16.734  936.957   16.194 26.81641 23.28697 
1 1 1  -20   11    2 o  255.385   8.4135  176.777   11.559  156.351   16.240  197.748   16.455  240.389   12.502  270.382   11.263 -29.99280 16.82706 
1 1 1  -20   11    3 o  403.873   8.8156  438.682   19.181  400.000   26.024  484.685   28.380  384.496   12.526  423.250   12.409 -38.75424 17.63130 
1 1 1  -20   11    4 o  782.894   13.879  1660.65   58.689  1623.20   81.541  1700.90   84.539  773.760   19.502  792.029   19.753 -18.26819 27.75781 
1 1 1  -20   11    5 o  796.470   9.9021  1716.99   42.616  1720.55   60.535  1713.49   60.004  797.284   14.051  795.655   13.956 1.628723 19.80426 
1 1 1  -20   11    6 o  118.243   7.9415   37.661   5.0627   40.271   7.4712   35.444   6.8842  122.014   11.332  114.471   11.129 7.543091 15.88297 
1 1 1  -20   11    7 o  338.739   5.6110  309.875   10.247  314.857   15.062  305.581   13.981  341.266   8.1677  336.213   7.6957 5.052826 11.22208 
1 1 1  -20   11    8 o  501.434   6.8297  679.935   18.502  680.217   26.447  679.665   25.893  501.531   9.7586  501.337   9.5578 0.1943359 13.65948 
1 1 1  -20   11    9 o  173.457   6.0969   80.733   5.6792   86.700   8.6274   76.170   7.5444  179.066   8.9162  167.848   8.3181 11.21849 12.19377 
1 1 1  -20   11   10 o  457.556   6.4332  566.139   15.905  559.765   22.501  572.504   22.486  454.980   9.1519  460.133   9.0435 -5.152588 12.86637 
1 1 1  -20   11   11 o  160.842   6.3908   68.663   5.5015   80.349   8.5129   60.282   7.2091  172.375   9.1393  149.308   8.9353 23.06665 12.78152 
1 1 1  -20   11   12 o  356.847   5.7999  344.545   11.175  335.650   15.979  353.060   15.635  352.330   8.3932  361.365   8.0068 -9.034485 11.59972 
1 1 1  -20   11   13 f  132.317   7.8187   47.424   5.5316   46.974   8.4366   47.764   7.3262  131.751   11.850  132.882   10.203 -1.130661 15.63738 
1 1 1  -20   11   14 o  571.838   10.590  884.660   32.722   0.0000   0.0000  884.660   32.722  ?   ?   571.838   10.590      ?      ? 
1 1 1  -20   11   15 o  527.631   7.1527  752.522   20.371  764.907   29.616  741.402   28.064  531.736   10.307  523.527   9.9201 8.208801 14.30540 
1 1 1  -20   11   16 o  441.468   6.4010  527.046   15.261  528.502   21.977  525.690   21.208  442.049   9.2005  440.886   8.9018 1.162872 12.80198 
1 1 1  -20   11   17 f  699.415   8.8930  1324.19   33.609  1323.04   47.752  1325.32   47.311  699.107   12.640  699.723   12.513 -0.6155396 17.78607 
1 1 1  -20   11   18 o  590.302   7.7965  942.414   24.852  953.477   35.913  932.249   34.426  593.611   11.196  586.993   10.853 6.618774 15.59310 
1 1 1  -20   11   19 o  156.671   7.5540   67.136   6.3251   59.224   9.2762   74.011   8.6469  147.931   11.604  165.412   9.6740 -17.48134 15.10791 
1 1 1  -20   11   20 o  176.251   7.1502   84.452   6.7649   79.874   9.9967   88.320   9.1884  171.807   10.768  180.695   9.4103 -8.887833 14.30035 
1 1 1  -20   11   21 o  582.725   7.7450  918.832   24.386  903.597   34.265  934.470   34.713  577.829   10.974  587.621   10.932 -9.791992 15.48996 
1 1 1  -20   11   22 f  277.783   6.1649  209.375   9.2228  192.938   13.194  225.079   12.897  267.074   9.1425  288.493   8.2729 -21.41916 12.32990 
1 1 1  -20   11   23 o  114.812   10.680   36.049   6.5235   43.576   9.2680   28.658   9.1838  126.834   13.523  102.791   16.534 24.04327 21.35979 
1 1 1  -20   11   24 o   41.424   13.062  -3.3773   5.9120  -5.1428   9.0206  -2.0480   7.8274   41.423   18.754   41.424   18.185 -0.7209778E-03 26.12306 
1 1 1  -20   11   25 o  678.557   8.7509  1246.73   32.077  1216.98   44.715  1278.27   46.042  670.226   12.347  686.888   12.405 -16.66174 17.50177 
1 1 1  -20   11   26 o  138.403   9.1069   51.785   6.7754   53.088   10.167   50.744   9.0876  139.947   13.444  136.859   12.288 3.087631 18.21383 
1 1 1  -20   11   27 o  996.107   12.230  2693.86   65.789  2630.87   91.177  2762.28   95.023  984.018   17.147  1008.20   17.442 -24.17883 24.45914 
1 1 1  -20   11   28 o  137.868   8.9610   50.576   6.5706   65.237   10.004   39.454   8.7137  155.138   11.933  120.598   13.371 34.54068 17.92199 
1 1 1  -20   11   29 o  397.797   6.3259  428.620   13.581  424.209   19.640  432.662   18.801  395.813   9.1826  399.781   8.7032 -3.968170 12.65172 
1 1 1  -20   11   30 o  574.647   7.7640  893.079   24.079  853.574   33.077  937.618   35.122  561.170   10.908  588.123   11.051 -26.95313 15.52799 
1 1 1  -20   11   31 o  436.399   9.3756  517.222   22.105  504.955   31.250  529.505   31.271  431.195   13.412  441.604   13.104 -10.40906 18.75119 
1 1 1  -20   11   32 o  507.566   14.390  700.676   39.468   0.0000   0.0000  700.676   39.468  ?   ?   507.566   14.390      ?      ? 
1 1 1  -20   11   34 o  265.925   8.6885  192.978   12.416  184.369   18.304  200.315   16.898  260.310   13.013  271.540   11.517 -11.22949 17.37699 
1 1 1  -20   11   35 o  183.185   7.3164   92.278   7.1486   79.283   10.442  103.741   9.8071  170.804   11.314  195.567   9.2802 -24.76314 14.63283 
1 1 1  -20   11   36 o  257.116   5.9890  179.140   8.2849  180.624   12.325  177.916   11.190  258.046   8.8392  256.187   8.0832 1.858459 11.97790 
1 1 1  -20   11   37 o  280.121   5.9443  213.464   8.9701  195.952   12.765  230.549   12.608  268.686   8.7919  291.556   8.0027 -22.87064 11.88867 
1 1 1  -20   11   38 o  149.322   8.0024   60.937   6.4345   57.356   9.3091   64.213   8.9040  145.046   11.877  153.599   10.728 -8.553070 16.00476 
1 1 1  -20   11   39 o  267.981   5.9572  194.870   8.5939  195.859   12.733  194.043   11.647  268.552   8.7742  267.410   8.0601 1.141327 11.91435 
1 1 1  -20   11   40 o  287.818   5.9608  224.976   9.2436  225.924   13.615  224.166   12.590  288.322   8.7389  287.315   8.1091 1.006958 11.92170 
1 1 1  -20   11   41 o  218.952   6.2860  131.292   7.3652  123.308   11.012  137.755   9.9073  212.766   9.5780  225.138   8.1437 -12.37193 12.57207 
1 1 1  -20   11   42 o   52.115   13.188   4.7707   5.4437  -3.9780   8.1288   11.884   7.3300   39.515   17.854   64.715   19.415 -25.19951 26.37670 
1 1 1  -20   11   43 o  156.488   7.5418   66.511   6.3536   74.936   9.3883   59.392   8.6302  165.602   10.491  147.373   10.837 18.22826 15.08356 
1 1 1  -20   11   44 o   59.765   13.499   9.4900   5.4790   1.7500   8.3842   15.259   7.2385   47.173   19.705   72.356   18.455 -25.18312 26.99755 
1 1 1  -20   11   45 f  405.526   6.3020  448.952   13.788  450.885   20.083  447.228   18.965  406.237   9.1486  404.816   8.6697 1.421570 12.60398 
1 1 1  -20   11   46 o  188.863   6.7431   97.751   6.8545   96.182   10.107   99.087   9.3273  187.341   9.9838  190.385   9.0664 -3.044067 13.48616 
1 1 1  -20   11   47 o  206.203   6.3682  115.913   7.0435  119.909   10.702  112.860   9.3550  209.188   9.4679  203.217   8.5191 5.970779 12.73643 
1 1 1  -20   11   48 o   79.375   13.232   19.098   5.5422   16.522   8.6824   20.870   7.1998   74.150   20.816   84.600   16.341 -10.45021 26.46376 
1 1 1  -20   11   49 o  171.698   7.2583   81.380   6.7045   80.018   9.9092   82.530   9.1050  170.197   10.774  173.199   9.7285 -3.001617 14.51667 
1 1 1  -20   11   50 o   38.567   12.300  -4.9110   5.5284   1.3827   8.4378  -9.6450   7.3180   45.873   19.497   31.262   15.000 14.61078 24.59918 
1 1 1  -20   11   51 o   67.172   14.435   13.258   5.6288   15.799   8.8741   11.548   7.2809   71.900   21.315   62.444   19.471 9.456173 28.86957 
1 1 1  -20   11   52 o  273.773   6.1536  206.899   9.0669  199.597   13.286  213.262   12.404  268.975   9.1413  278.570   8.2402 -9.595154 12.30711 
1 1 1  -20   11   53 o  129.182   9.0566   47.428   6.2662   44.213   9.2848   50.117   8.4917  124.695   13.780  133.670   11.756 -8.974731 18.11322 
1 1 1  -20   11   54 o  125.239   9.2983   44.456   6.2477   45.496   9.4531   43.648   8.3250  126.195   13.863  124.283   12.396 1.911949 18.59667 
1 1 1  -20   11   55 o   66.823   14.139   13.044   5.9125   20.954   8.7076   6.2784   8.0537   81.844   19.885   51.801   20.105 30.04325 28.27768 
1 1 1  -20   11   56 o   73.579   13.021   17.356   6.3178   2.6455   9.6288   28.476   8.3719   48.654   20.757   98.503   15.728 -49.84846 26.04273 
1 1 1  -20   11   57 o   90.617   13.344   25.831   6.2571   25.495   9.6282   26.077   8.2326   89.017   20.447   92.217   17.152 -3.199608 26.68862 
1 1 1  -20   11   58 o  147.603   8.8365   62.796   7.0244   65.356   10.441   60.678   9.4947  150.045   12.877  145.161   12.104 4.883148 17.67293 
1 1 1  -20   11   59 o  138.044   13.391   57.832   9.8433   73.086   15.013   46.329   13.037  154.572   17.974  121.515   19.854 33.05700 26.78119 
1 1 1  -20   11   60 o   53.571   16.124  -3.4709   9.2171   19.153   14.315 -19.4932   12.047   71.474   27.038   35.668   17.574 35.80539 32.24777 
1 1 1  -20   11   61 o   48.668   14.190   2.3436   7.0552 -10.5175   10.300   13.713   9.6841   35.993   17.401   61.342   22.420 -25.34965 28.38066 
1 1 1  -20   11   62 f   46.263   15.147  -5.5443   9.6706 -21.0338   14.339   7.3784   13.097   38.099   18.847   54.427   23.717 -16.32820 30.29366 
1 1 1  -20   12    1 o  495.627   9.9735  664.808   26.683  670.721   38.716  659.459   36.825  497.703   14.396  493.550   13.808 4.153015 19.94708 
1 1 1  -20   12    2 o  386.392   8.8912  403.789   18.519  407.658   27.211  400.450   25.277  388.094   12.975  384.689   12.160 3.404846 17.78231 
1 1 1  -20   12    3 o  159.247   11.344   69.672   9.5526   63.401   14.742   74.212   12.542  152.932   17.839  165.562   14.019 -12.63060 22.68839 
1 1 1  -20   12    4 o  813.847   12.475  1779.65   51.167  1752.40   61.811  1838.96   91.200  804.501   14.218  823.192   20.503 -18.69092 24.95027 
1 1 1  -20   12    5 o  481.877   13.572  628.604   35.341   0.0000   0.0000  628.604   35.341  ?   ?   481.877   13.572      ?      ? 
1 1 1  -20   12    6 o  699.369   8.8837  1323.75   33.573  1316.30   47.441  1331.23   47.517  697.393   12.589  701.344   12.538 -3.950623 17.76746 
1 1 1  -20   12    7 o  227.386   7.8508  139.790   9.6464   0.0000   0.0000  139.790   9.6464  ?   ?   227.386   7.8508      ?      ? 
1 1 1  -20   12    8 f  468.368   6.6726  591.980   16.869  563.182   23.217  624.180   24.551  456.330   9.4156  480.406   9.4573 -24.07529 13.34516 
1 1 1  -20   12    9 o  895.943   11.031  2174.53   53.401  2149.22   74.903  2200.69   76.153  890.649   15.563  901.238   15.637 -10.58881 22.06221 
1 1 1  -20   12   10 o  268.906   5.7297  195.880   8.3087  188.218   11.987  202.964   11.527  263.828   8.4081  273.984   7.7859 -10.15628 11.45931 
1 1 1  -20   12   11 o  131.953   8.3527   47.574   5.8985   41.655   8.5601   52.925   8.1392  124.045   12.771  139.861   10.769 -15.81599 16.70540 
1 1 1  -20   12   12 o  375.463   6.0468  381.524   12.258  368.299   17.464  394.369   17.211  369.036   8.7576  381.890   8.3402 -12.85440 12.09356 
1 1 1  -20   12   13 o  451.065   6.5674  550.057   15.986  554.675   23.255  545.919   22.013  452.848   9.5032  449.281   9.0671 3.566528 13.13482 
1 1 1  -20   12   14 o  353.375   5.9980  335.633   11.370  353.963   17.329  321.777   15.067  361.782   8.8642  344.969   8.0825 16.81314 11.99590 
1 1 1  -20   12   15 o  264.789   5.9708  189.854   8.5107  186.448   12.535  192.766   11.592  262.572   8.8346  267.005   8.0345 -4.433075 11.94165 
1 1 1  -20   12   16 o  155.200   7.9884   63.807   6.6188   79.437   10.172   52.331   8.7163  171.342   10.987  139.059   11.600 32.28325 15.97674 
1 1 1  -20   12   17 o  262.698   6.0440  186.620   8.5384  186.707   12.715  186.548   11.523  262.741   8.9555  262.654   8.1191 0.8770752E-01 12.08803 
1 1 1  -20   12   18 o  238.654   6.4229  154.218   8.2594  151.777   12.094  156.351   11.307  236.872   9.4485  240.436   8.7028 -3.564285 12.84571 
1 1 1  -20   12   19 o  520.069   7.2460  731.946   20.359  716.320   28.826  747.499   28.759  514.521   10.368  525.617   10.125 -11.09644 14.49208 
1 1 1  -20   12   20 o  625.026   8.2243  1056.35   27.762  1021.96   38.519  1093.53   40.049  614.454   11.601  635.599   11.661 -21.14490 16.44853 
1 1 1  -20   12   21 o  516.359   7.2396  721.255   20.184  726.158   29.180  716.757   27.948  518.027   10.424  514.691   10.049 3.336121 14.47912 
1 1 1  -20   12   22 o  118.894   14.283   38.316   9.1761   0.0000   0.0000   38.316   9.1761  ?   ?   118.894   14.283      ?      ? 
1 1 1  -20   12   23 o  956.236   11.782  2482.66   60.880  2480.17   86.257  2485.13   85.938  955.748   16.702  956.724   16.623 -0.9765015 23.56434 
1 1 1  -20   12   24 o  691.552   8.9260  1294.95   33.343  1261.72   46.386  1330.48   47.962  682.385   12.580  700.719   12.667 -18.33374 17.85205 
1 1 1  -20   12   25 o  380.204   6.3135  391.336   12.964  381.425   18.462  400.979   18.210  375.441   9.1001  384.967   8.7537 -9.525757 12.62691 
1 1 1  -20   12   26 o  475.773   6.9167  612.641   17.776  589.560   24.926  636.528   25.357  466.647   9.8849  484.900   9.6774 -18.25266 13.83344 
1 1 1  -20   12   27 o  543.104   7.4653  798.737   21.892  808.809   31.662  789.510   30.303  546.359   10.724  539.849   10.388 6.510315 14.93058 
1 1 1  -20   12   28 o  711.536   9.1147  1373.94   35.044  1363.50   49.612  1384.33   49.508  708.824   12.953  714.247   12.827 -5.422852 18.22937 
1 1 1  -20   12   29 o  389.900   7.7091  411.717   15.666  410.674   19.696  413.513   25.846  389.397   9.3606  390.403   12.252 -1.006409 15.41817 
1 1 1  -20   12   30 o  361.325   8.8027  354.482   17.178  340.766   24.273  368.243   24.313  354.289   12.679  368.360   12.215 -14.07043 17.60533 
1 1 1  -20   12   31 o  198.427   13.874  107.072   14.876   0.0000   0.0000  107.072   14.876  ?   ?   198.427   13.874      ?      ? 
1 1 1  -20   12   32 o   58.462   23.655   4.2140   11.593   0.0000   0.0000   4.2140   11.593  ?   ?    58.462   23.655      ?      ? 
1 1 1  -20   12   33 o   67.598   18.057   8.0841   9.1450   15.032   14.022   2.9414   12.064   77.468   27.132   57.727   23.834 19.74121 36.11418 
1 1 1  -20   12   34 o  247.183   6.1724  164.652   8.1839  173.722   12.478  157.806   10.841  253.079   9.1246  241.287   8.3148 11.79198 12.34483 
1 1 1  -20   12   35 f  133.730   8.8665   49.159   6.3475   43.838   9.2755   53.847   8.7050  126.770   13.540  140.690   11.450 -13.91969 17.73291 
1 1 1  -20   12   36 o  355.041   6.0921  341.444   11.644  349.721   17.316  334.610   15.733  358.902   8.9286  351.180   8.2907 7.721832 12.18422 
1 1 1  -20   12   37 f  121.134   10.183   41.247   6.4776   31.867   9.4993   49.400   8.8558  107.688   16.324  134.580   12.178 -26.89167 20.36605 
1 1 1  -20   12   38 o  141.007   8.3062   54.910   6.2280   49.511   9.3996   59.136   8.3153  134.612   12.922  147.401   10.440 -12.78897 16.61238 
1 1 1  -20   12   39 o  143.097   8.3864   55.341   6.4068   68.763   9.5625   44.408   8.6303  158.766   11.146  127.427   12.534 31.33937 16.77286 
1 1 1  -20   12   40 o  404.804   6.3752  446.115   13.938  429.614   19.716  462.598   19.706  397.264   9.1845  412.345   8.8442 -15.08035 12.75047 
1 1 1  -20   12   41 o  123.443   9.4381   42.786   6.1376   36.621   9.3479   47.458   8.1371  115.178   15.020  131.708   11.433 -16.52917 18.87610 
1 1 1  -20   12   42 o  178.380   6.8166   86.458   6.5328   89.821   9.8548   83.821   8.7255  181.389   10.054  175.371   9.2076 6.017899 13.63330 
1 1 1  -20   12   43 o  215.236   6.4576  126.656   7.4738  123.409   11.050  129.394   10.147  212.574   9.6197  217.898   8.6177 -5.323624 12.91521 
1 1 1  -20   12   44 o  231.187   6.3314  146.856   7.8352  138.307   11.709  153.789   10.544  224.863   9.6363  237.512   8.2152 -12.64952 12.66290 
1 1 1  -20   12   45 o   87.613   12.649   23.389   5.8263   14.339   8.7250   30.673   7.8271   70.092   21.217  105.134   13.778 -35.04226 25.29780 
1 1 1  -20   12   46 o   53.907   14.211   6.8010   5.5070   5.9373   8.6435   7.3912   7.1450   53.783   20.841   54.030   19.324 -0.2464180 28.42147 
1 1 1  -20   12   47 o  121.998   9.1659   40.295   5.8991   54.922   9.1226   29.783   7.7336  140.770   11.993  103.226   13.865 37.54420 18.33171 
1 1 1  -20   12   48 o  170.384   7.2103   80.410   6.5954   75.263   9.6922   84.849   9.0008  165.054   10.867  175.713   9.4796 -10.65889 14.42056 
1 1 1  -20   12   49 o  185.323   6.9501   95.240   6.8632   91.323   10.493   98.169   9.0731  181.628   10.691  189.017   8.8832 -7.388565 13.90015 
1 1 1  -20   12   50 o  118.563   9.7329   40.468   6.0781   33.920   9.1480   45.642   8.1327  109.129   15.513  127.997   11.758 -18.86774 19.46578 
1 1 1  -20   12   51 o  202.967   6.7605  114.298   7.3500  109.785   11.016  117.920   9.8674  199.007   10.244  206.926   8.8247 -7.918549 13.52092 
1 1 1  -20   12   52 o   66.406   14.621   13.629   5.8762   10.974   9.0049   15.599   7.7549   61.678   21.733   71.134   19.564 -9.455791 29.24174 
1 1 1  -20   12   53 o   33.023   11.165 -10.0946   5.7378 -15.7950   8.7294  -5.7584   7.6135   30.945   15.190   35.100   16.368 -4.155626 22.33019 
1 1 1  -20   12   54 o  151.296   8.1536   63.157   6.6064   74.256   10.172   55.060   8.6882  162.564   11.579  140.028   11.482 22.53558 16.30722 
1 1 1  -20   12   55 o  119.632   10.179   41.708   6.5195   37.227   9.4755   45.737   8.9842  112.828   15.542  126.436   13.150 -13.60733 20.35818 
1 1 1  -20   12   56 o   94.741   12.872   26.288   6.3690   38.673   10.080   18.059   8.2169  114.297   16.321   75.186   19.910 39.11121 25.74483 
1 1 1  -20   12   57 o  186.443   7.6184   99.129   7.5701   96.353   11.593  101.192   9.9953  183.337   11.702  189.550   9.7586 -6.212982 15.23680 
1 1 1  -20   12   58 o   74.162   18.429   19.214   9.8820   9.1622   14.860   27.185   13.232   61.646   26.020   86.678   26.104 -25.03221 36.85720 
1 1 1  -20   12   59 o  104.442   16.517   40.757   10.395   15.135   15.554   61.441   13.975   68.110   27.455  140.774   18.372 -72.66438 33.03492 
1 1 1  -20   12   60 o  125.504   13.494   50.573   8.8849   42.859   11.062   64.595   14.914  114.109   17.940  136.899   20.161 -22.78984 26.98759 
1 1 1  -20   12   61 o   49.812   16.133   0.3333   9.7894  -1.3824   14.630   1.7243   13.173   49.498   22.948   50.127   22.682 -0.6288528 32.26583 
1 1 1  -20   12   62 o   55.499   16.680   9.8693   9.0558   3.4775   13.403   15.239   12.284   49.639   22.624   61.360   24.517 -11.72091 33.36067 
1 1 1  -20   13    1 o  706.319   12.918  1352.68   49.290  1319.14   68.787  1388.06   70.663  697.329   18.255  715.309   18.282 -17.97992 25.83525 
1 1 1  -20   13    2 o  337.426   5.9790  307.544   10.874  312.568   16.014  303.245   14.813  339.972   8.7169  334.881   8.1860 5.090332 11.95798 
1 1 1  -20   13    3 o  141.986   11.032   51.763   7.2467   60.248   15.264   49.294   8.2339  149.003   18.957  134.968   11.290 14.03427 22.06430 
1 1 1  -20   13    4 o  783.903   12.168  1661.78   48.114  1678.83   85.144  1653.78   58.318  786.348   20.038  781.458   13.811 4.890381 24.33619 
1 1 1  -20   13    5 o  544.632   9.1281  803.388   25.404  804.083   31.219  802.027   43.706  545.160   10.598  544.103   14.865 1.057007 18.25617 
1 1 1  -20   13    6 o  217.497   7.7730  124.654   8.7649  116.868   10.805  139.640   14.989  207.861   9.6195  227.133   12.212 -19.27229 15.54603 
1 1 1  -20   13    7 o  155.338   7.8036   65.181   6.5441   67.880   9.5105   62.753   9.0186  158.386   11.112  152.290   10.959 6.096405 15.60719 
1 1 1  -20   13    9 o   75.706   13.687   14.591   6.0602   26.546   9.3484   5.9263   7.9591   97.332   18.449   54.080   20.224 43.25205 27.37477 
1 1 1  -20   13   10 o  227.117   6.5287  139.569   7.9888  138.689   11.738  140.328   10.904  226.441   9.5927  227.793   8.8585 -1.352448 13.05730 
1 1 1  -20   13   11 o  573.687   7.7016  889.784   23.866  862.475   33.220  918.913   34.309  564.597   10.889  582.776   10.895 -18.17950 15.40324 
1 1 1  -20   13   12 o  527.507   7.3185  752.865   20.859  739.337   29.512  766.367   29.485  522.766   10.447  532.249   10.252 -9.483337 14.63704 
1 1 1  -20   13   13 o  641.122   8.3966  1112.19   29.085  1087.00   40.772  1138.29   41.502  633.731   11.906  648.514   11.843 -14.78265 16.79317 
1 1 1  -20   13   14 o  145.246   8.6863   57.472   6.7643   53.591   10.004   60.741   9.1816  140.679   13.160  149.813   11.342 -9.133682 17.37261 
1 1 1  -20   13   15 o  348.220   8.4631  327.934   15.925   0.0000   0.0000  327.934   15.925  ?   ?   348.220   8.4631      ?      ? 
1 1 1  -20   13   16 o  103.399   12.204   30.583   6.4257   21.911   9.4010   38.187   8.8031   88.066   20.187  118.731   13.721 -30.66541 24.40818 
1 1 1  -20   13   17 o  521.779   7.3145  736.635   20.610  737.367   29.685  735.953   28.638  522.016   10.524  521.542   10.162 0.4741211 14.62897 
1 1 1  -20   13   18 o  363.171   9.2478  356.775   18.148  356.775   18.148   0.0000   0.0000  363.171   9.2478  ?   ?       ?      ? 
1 1 1  -20   13   19 o  912.892   11.290  2259.89   55.690  2240.32   78.363  2279.86   79.158  908.902   15.955  916.882   15.977 -7.980469 22.57960 
1 1 1  -20   13   20 o  320.614   6.2905  278.516   10.870  271.469   15.835  284.797   14.949  316.756   9.2512  324.473   8.5262 -7.716949 12.58097 
1 1 1  -20   13   21 o  787.521   9.9384  1680.82   42.282  1649.01   58.981  1714.46   60.645  779.870   13.996  795.172   14.114 -15.30219 19.87680 
1 1 1  -20   13   22 o  449.539   6.8182  547.049   16.542  544.207   23.964  549.636   22.862  448.403   9.8902  450.674   9.3880 -2.270782 13.63632 
1 1 1  -20   13   23 o  622.713   8.2402  1050.37   27.727  1039.70   39.226  1061.02   39.196  619.545   11.717  625.881   11.589 -6.336304 16.48046 
1 1 1  -20   13   24 o  276.513   6.4587  206.962   9.6229  206.590   14.146  207.282   13.128  276.263   9.4761  276.762   8.7784 -0.4985657 12.91730 
1 1 1  -20   13   25 f  680.870   8.8079  1257.08   32.404  1238.42   45.564  1276.18   46.092  675.753   12.478  685.987   12.434 -10.23395 17.61581 
1 1 1  -20   13   26 o  415.453   6.5361  467.681   14.662  448.635   20.795  486.508   20.676  407.015   9.4552  423.890   9.0268 -16.87543 13.07224 
1 1 1  -20   13   27 o   76.531   16.950   15.905   7.7207   15.996   10.073   15.777   12.021   75.990   22.751   77.072   25.130 -1.081947 33.89933 
1 1 1  -20   13   28 o  326.955   8.6587  290.277   15.271  286.487   22.180  293.694   21.057  324.878   12.634  329.031   11.843 -4.152985 17.31735 
1 1 1  -20   13   29 o  385.769   9.0129  404.164   18.782  390.315   26.452  418.243   26.672  379.078   12.913  392.459   12.577 -13.38104 18.02579 
1 1 1  -20   13   31 o  180.212   11.096   89.949   10.640   76.847   15.649  101.216   14.511  167.633   17.276  192.791   13.929 -25.15779 22.19172 
1 1 1  -20   13   32 o  348.780   8.8484  331.437   16.645  309.234   23.609  353.378   23.470  337.062   12.962  360.498   12.048 -23.43671 17.69676 
1 1 1  -20   13   33 o  175.582   7.7685   85.218   7.2097   75.565   11.034   92.409   9.5239  166.632   12.255  184.532   9.5511 -17.90048 15.53696 
1 1 1  -20   13   34 o   75.255   14.142   15.747   5.8024   19.312   9.0641   13.272   7.5528   82.019   20.506   68.491   19.481 13.52805 28.28434 
1 1 1  -20   13   35 o   81.314   13.209   17.107   6.1727   31.155   9.6156   7.2604   8.0504  106.451   16.716   56.176   20.456 50.27428 26.41721 
1 1 1  -20   13   36 f   56.239   14.671   7.0766   5.8762   5.7055   9.0320   8.0829   7.7376   55.214   21.330   57.264   20.149 -2.049038 29.34190 
1 1 1  -20   13   37 o  271.445   6.1095  200.677   8.9105  194.304   13.207  206.003   12.072  267.394   9.1403  275.496   8.1093 -8.101868 12.21905 
1 1 1  -20   13   38 o  218.074   6.4714  129.103   7.5634  131.266   11.496  127.452   10.043  219.594   9.6877  216.554   8.5827 3.039581 12.94275 
1 1 1  -20   13   39 o   70.305   14.858   14.001   6.0261   14.840   9.2735   13.388   7.9281   72.149   21.881   68.462   20.107 3.687393 29.71677 
1 1 1  -20   13   40 o  258.298   6.1520  181.986   8.5277  177.951   12.753  185.249   11.469  255.584   9.2339  261.012   8.1317 -5.428192 12.30403 
1 1 1  -20   13   41 o  230.380   6.3395  144.988   7.8461  140.654   11.643  148.593   10.620  227.103   9.4872  233.657   8.4112 -6.553421 12.67891 
1 1 1  -20   13   42 o   59.321   14.308   9.2572   5.7334   4.4447   8.8970   12.675   7.4978   52.298   20.876   66.344   19.573 -14.04570 28.61663 
1 1 1  -20   13   43 o  174.142   7.3295   84.719   6.7229   74.501   10.356   92.163   8.8387  164.566   11.646  183.719   8.9032 -19.15320 14.65904 
1 1 1  -20   13   44 o  265.371   6.1082  191.340   8.7137  201.349   13.129  183.460   11.650  271.439   8.9507  259.302   8.3142 12.13745 12.21645 
1 1 1  -20   13   45 o   73.585   12.551   15.737   5.8321   2.9512   8.5115   27.053   8.0073   48.835   20.075   98.335   15.069 -49.50014 25.10164 
1 1 1  -20   13   46 o  203.202   6.7763  113.889   7.3994  107.517   10.856  119.419   10.113  197.665   10.163  208.739   8.9654 -11.07378 13.55261 
1 1 1  -20   13   47 o  129.990   9.3969   48.879   6.3457   37.455   9.5508   57.908   8.4909  115.192   15.344  144.788   10.853 -29.59573 18.79376 
1 1 1  -20   13   48 o  164.344   7.8912   75.929   6.9049   64.256   10.060   86.327   9.4947  151.794   12.265  176.893   9.9330 -25.09901 15.78242 
1 1 1  -20   13   49 o  139.074   8.9333   55.253   6.5378   47.700   10.000   60.889   8.6397  129.948   14.242  148.199   10.789 -18.25055 17.86669 
1 1 1  -20   13   50 o  181.185   7.3872   91.023   7.2055   91.566   10.670   90.569   9.7696  181.481   10.881  180.889   9.9949 0.5921021 14.77439 
1 1 1  -20   13   51 o  127.769   9.5976   45.074   6.4706   61.132   9.9772   33.418   8.5007  147.349   12.531  108.188   14.541 39.16028 19.19511 
1 1 1  -20   13   52 o   97.262   12.198   27.117   6.1779   35.154   9.8351   21.879   7.9398  109.724   16.588   84.800   17.890 24.92426 24.39671 
1 1 1  -20   13   53 o   93.914   12.891   28.958   6.1319   17.544   9.6745   36.623   7.9277   74.181   22.316  113.646   12.909 -39.46574 25.78129 
1 1 1  -20   13   54 o   47.557   13.540  -0.8119   5.9695   11.996   9.4537  -9.3052   7.6983   62.935   22.258   32.179   15.425 30.75633 27.08055 
1 1 1  -20   13   55 o   70.775   14.271   16.232   6.4488   5.9909   9.7001   24.344   8.6329   53.172   21.595   88.378   18.662 -35.20545 28.54151 
1 1 1  -20   13   56 o   36.617   12.030  -7.4949   6.1918 -18.8090   9.6533   0.4137   8.0707   31.151   15.419   42.082   18.470 -10.93147 24.06020 
1 1 1  -20   13   57 o  119.853   15.468   62.507   8.7706   18.847   16.648   79.280   10.319   72.990   28.738  166.717   11.454 -93.72745 30.93677 
1 1 1  -20   13   59 o   52.697   15.977   6.7959   8.2897   9.9999   11.007   2.5968   12.601   55.983   22.900   49.411   22.287 6.571991 31.95468 
1 1 1  -20   13   60 o  182.614   9.9078  100.115   9.6899   98.809   12.870  101.824   14.724  182.471   13.052  182.757   14.910 -0.2854767 19.81555 
1 1 1  -20   13   61 o   43.066   14.505  -8.5296   9.0862   3.9550   14.228 -17.1284   11.808   51.141   23.309   34.992   17.271 16.14945 29.01020 
1 1 1  -20   14    2 o  232.283   8.9578  145.920   11.244   0.0000   0.0000  145.920   11.244  ?   ?   232.283   8.9578      ?      ? 
1 1 1  -20   14    3 o  498.335   7.1132  671.928   19.150  662.573   27.249  681.058   26.920  494.898   10.189  501.770   9.9283 -6.871948 14.22638 
1 1 1  -20   14    4 o  292.467   8.3902  218.805   11.342  256.306   23.959  207.973   12.877  307.614   14.413  277.320   8.5928 30.29425 16.78047 
1 1 1  -20   14    5 o  298.801   8.2818  233.131   11.488  258.333   23.819  225.491   13.114  308.833   14.273  288.768   8.4045 20.06546 16.56352 
1 1 1  -20   14    6 o  297.642   7.8421  238.129   11.930  234.895   14.613  244.595   20.660  294.702   9.1761  300.583   12.720 -5.880280 15.68417 
1 1 1  -20   14    7 o  581.714   9.6507  916.883   28.758  917.930   35.435  914.865   49.220  582.416   11.259  581.012   15.677 1.403137 19.30144 
1 1 1  -20   14    8 o  259.365   8.6710  181.926   12.153   0.0000   0.0000  181.926   12.153  ?   ?   259.365   8.6710      ?      ? 
1 1 1  -20   14    9 o  949.006   11.713  2440.14   60.036  2385.17   83.306  2499.54   86.596  937.920   16.437  960.092   16.692 -22.17206 23.42616 
1 1 1  -20   14   10 o  339.323   6.3014  311.529   11.528  309.765   16.851  313.081   15.806  338.408   9.2151  340.239   8.5971 -1.831360 12.60271 
1 1 1  -20   14   11 o  489.530   7.1274  648.540   18.841  643.266   27.093  653.478   26.218  487.588   10.283  491.471   9.8722 -3.882904 14.25484 
1 1 1  -20   14   12 o  847.064   10.602  1944.66   48.525  1937.10   68.797  1952.13   68.453  845.416   15.060  848.712   14.926 -3.296082 21.20328 
1 1 1  -20   14   13 o  614.118   8.1918  1020.53   27.180  999.583   38.053  1042.34   38.836  607.688   11.588  620.549   11.582 -12.86108 16.38353 
1 1 1  -20   14   14 o  577.362   7.8694  901.610   24.544  874.054   34.239  930.737   35.201  568.291   11.150  586.432   11.108 -18.14105 15.73887 
1 1 1  -20   14   15 o  450.053   6.8726  548.155   16.705  541.322   23.916  554.664   23.344  447.303   9.8947  452.803   9.5406 -5.500458 13.74516 
1 1 1  -20   14   16 o  586.001   7.9230  929.015   25.082  904.329   35.005  955.061   35.956  578.005   11.208  593.997   11.202 -15.99213 15.84593 
1 1 1  -20   14   17 o  232.217   6.9161  145.814   8.6614  147.609   12.688  144.248   11.853  233.544   10.054  230.891   9.5000 2.653625 13.83230 
1 1 1  -20   14   18 o  202.071   7.4586  111.281   8.0660  104.366   12.053  116.889   10.855  196.316   11.362  207.826   9.6657 -11.50995 14.91726 
1 1 1  -20   14   19 o   91.077   14.115   23.064   6.7793   30.014   10.135   17.436   9.1198  103.488   18.817   78.666   21.043 24.82191 28.22935 
1 1 1  -20   14   20 o  168.287   8.1712   76.758   7.4251   74.140   10.571   79.307   10.432  165.443   11.824  171.130   11.281 -5.687424 16.34248 
1 1 1  -20   14   21 o  540.943   7.5166  792.304   21.968  774.588   30.973  810.240   31.164  534.848   10.717  547.037   10.543 -12.18951 15.03315 
1 1 1  -20   14   22 o  290.127   6.4064  226.585   10.004  241.405   14.976  214.643   13.444  298.634   9.2803  281.620   8.8343 17.01471 12.81279 
1 1 1  -20   14   23 o  746.316   9.5187  1510.13   38.366  1467.33   53.193  1556.53   55.390  735.324   13.387  757.308   13.535 -21.98419 19.03740 
1 1 1  -20   14   24 o  343.724   8.6380  319.836   16.044   0.0000   0.0000  319.836   16.044  ?   ?   343.724   8.6380      ?      ? 
1 1 1  -20   14   25 o  451.982   8.3659  541.760   19.195  519.615   23.214  589.640   34.133  437.970   9.8087  465.995   13.555 -28.02493 16.73183 
1 1 1  -20   14   26 o  253.717   8.9811  175.073   12.280  169.144   17.846  180.405   16.925  249.579   13.232  257.855   12.147 -8.276077 17.96215 
1 1 1  -20   14   27 o  491.933   9.9976  656.285   26.511  680.180   39.143  636.036   36.033  500.110   14.484  483.757   13.784 16.35242 19.99515 
1 1 1  -20   14   28 o  271.111   8.8247  200.146   12.887  182.342   18.265  217.793   18.184  259.008   13.050  283.213   11.882 -24.20499 17.64934 
1 1 1  -20   14   29 o  394.028   12.511  422.072   26.638   0.0000   0.0000  422.072   26.638  ?   ?   394.028   12.511      ?      ? 
1 1 1  -20   14   30 o  284.403   9.1605  220.853   13.973  213.514   20.883  226.802   18.802  279.973   13.804  288.833   12.047 -8.859924 18.32095 
1 1 1  -20   14   31 o   75.687   16.862   14.825   7.7027   10.682   9.9740   20.948   12.125   65.540   22.887   85.833   24.768 -20.29295 33.72365 
1 1 1  -20   14   32 f  101.441   11.929   28.337   6.3084   35.685   9.4211   22.364   8.4937  114.241   15.261   88.640   18.338 25.60027 23.85740 
1 1 1  -20   14   33 o  267.386   6.2164  194.212   8.9123  192.785   13.440  195.332   11.906  266.430   9.3355  268.341   8.2112 -1.910980 12.43278 
1 1 1  -20   14   34 o  175.281   7.3478   83.994   6.8872   80.486   10.397   86.737   9.1937  171.907   11.192  178.655   9.5233 -6.747437 14.69562 
1 1 1  -20   14   35 o  137.268   9.0743   52.632   6.5488   45.176   10.054   58.128   8.6311  128.429   14.487  146.108   10.932 -17.67854 18.14869 
1 1 1  -20   14   36 o   78.374   13.345   18.659   6.1214   7.0054   9.6063   26.626   7.9428   58.277   22.125   98.471   14.927 -40.19441 26.68929 
1 1 1  -20   14   37 o  116.622   9.7887   37.081   6.1435   40.204   9.2118   34.580   8.2448  120.981   14.091  112.263   13.591 8.717384 19.57739 
1 1 1  -20   14   38 o  280.800   6.1486  213.559   9.2079  220.471   14.317  208.683   12.024  284.513   9.3126  277.087   8.0309 7.426544 12.29712 
1 1 1  -20   14   39 o   89.669   13.315   23.520   6.2079   21.025   9.3458   25.490   8.3046   84.837   20.594   94.502   16.882 -9.664909 26.62930 
1 1 1  -20   14   40 o  159.108   7.9642   70.126   6.7244   64.405   10.284   74.399   8.8874  153.143   12.428  165.073   9.9635 -11.92979 15.92843 
1 1 1  -20   14   41 o   97.027   12.724   30.651   6.1131   14.809   9.6965   41.100   7.8753   71.772   22.484  122.281   11.918 -50.50894 25.44793 
1 1 1  -20   14   42 o   51.452   13.500   3.9246   5.8094  -5.9330   8.7952   11.554   7.7374   39.159   18.026   63.745   20.103 -24.58671 27.00083 
1 1 1  -20   14   43 o  171.648   7.5591   80.990   6.9609   80.272   10.461   81.561   9.3247  170.791   11.335  172.505   10.003 -1.713791 15.11814 
1 1 1  -20   14   44 o  187.646   7.0083   97.433   6.9904   91.549   10.712  101.797   9.2255  182.378   10.869  192.913   8.8500 -10.53502 14.01669 
1 1 1  -20   14   45 o  164.884   7.7923   76.317   6.8073   66.687   10.262   83.886   9.0973  155.020   12.250  174.747   9.6342 -19.72615 15.58462 
1 1 1  -20   14   46 o  149.021   8.1925   61.000   6.4974   64.593   10.224   58.565   8.4155  152.394   12.415  145.647   10.693 6.746704 16.38492 
1 1 1  -20   14   47 o  144.813   8.3034   57.132   6.4102   65.771   10.129   51.361   8.2791  153.589   12.204  136.037   11.263 17.55168 16.60681 
1 1 1  -20   14   48 o  114.994   10.287   37.836   6.1773   35.631   9.9242   39.230   7.8927  111.494   16.472  118.495   12.327 -7.000916 20.57382 
1 1 1  -20   14   49 o   95.830   12.701   29.439   6.1085   18.382   9.5623   37.061   7.9397   76.816   21.944  114.843   12.794 -38.02770 25.40166 
1 1 1  -20   14   50 o   48.800   12.470  -1.1076   6.0434 -21.9830   9.2725   14.309   7.9683   29.384   14.639   68.216   20.193 -38.83257 24.94093 
1 1 1  -20   14   51 o   59.846   14.950   10.287   5.9756   10.677   9.2326   10.006   7.8390   61.009   21.951   58.684   20.302 2.325180 29.90011 
1 1 1  -20   14   52 o  202.018   7.0767  111.982   7.6671  127.010   11.753  100.848   10.116  213.551   10.185  190.486   9.8279 23.06502 14.15339 
1 1 1  -20   14   53 o  114.421   11.453   40.004   6.5702   32.769   10.259   45.035   8.5545  102.963   19.144  125.879   12.576 -22.91524 22.90574 
1 1 1  -20   14   54 o  251.436   6.7443  176.960   9.1131  168.094   13.387  184.616   12.441  245.063   10.109  257.809   8.9302 -12.74567 13.48861 
1 1 1  -20   14   55 o  187.921   7.8056   99.206   7.8406  107.677   12.184   93.219   10.243  194.207   11.610  181.636   10.436 12.57132 15.61126 
1 1 1  -20   14   56 o  178.727   11.653   92.908   9.8147  103.829   19.603   89.254   11.338  180.994   20.043  176.459   11.891 4.534988 23.30510 
1 1 1  -20   14   58 o   53.103   16.450   0.0706   10.380 -20.5383   15.630   16.331   13.884   40.633   20.020   65.573   26.108 -24.93988 32.90042 
1 1 1  -20   14   59 o  126.189   13.062   51.481   8.8337   49.781   11.719   53.716   13.442  125.048   17.344  127.331   19.537 -2.283653 26.12454 
1 1 1  -20   14   60 o   61.525   17.306   9.0606   9.9731   29.302   14.811  -7.7297   13.490   80.267   27.898   42.784   20.485 37.48269 34.61114 
1 1 1  -20   15    1 o  469.559   9.7333  596.493   24.697   0.0000   0.0000  596.493   24.697  ?   ?   469.559   9.7333      ?      ? 
1 1 1  -20   15    2 o  260.191   6.5248  182.461   9.1385  190.385   13.642  176.011   12.308  265.287   9.5165  255.096   8.9290 10.19157 13.04954 
1 1 1  -20   15    3 o  264.719   9.6582  189.577   13.816  189.577   13.816   0.0000   0.0000  264.719   9.6582  ?   ?       ?      ? 
1 1 1  -20   15    4 o  548.038   7.6329  812.896   22.595  808.760   32.377  816.822   31.548  546.666   10.960  549.411   10.626 -2.745056 15.26590 
1 1 1  -20   15    5 o  571.683   9.9163  895.934   28.622  855.405   49.832  915.887   34.965  561.633   16.420  581.732   11.123 -20.09814 19.83256 
1 1 1  -20   15    6 o  542.007   9.5709  805.086   26.176  769.144   45.632  822.715   31.957  532.632   15.854  551.383   10.726 -18.75092 19.14174 
1 1 1  -20   15    7 o  815.456   12.621  1808.80   52.788  1818.41   65.213  1790.54   89.906  819.169   14.732  811.744   20.497 7.425415 25.24185 
1 1 1  -20   15    8 o  114.917   15.006   38.115   8.6072   41.803   10.784   31.644   14.286  124.168   16.073  105.667   25.345 18.50041 30.01212 
1 1 1  -20   15    9 o  411.894   9.3269  458.933   20.759   0.0000   0.0000  458.933   20.759  ?   ?   411.894   9.3269      ?      ? 
1 1 1  -20   15   10 o  221.627   7.1633  133.340   8.5476  126.085   12.408  139.892   11.792  215.854   10.637  227.399   9.5966 -11.54492 14.32658 
1 1 1  -20   15   11 o  398.803   9.2436  430.238   19.920   0.0000   0.0000  430.238   19.920  ?   ?   398.803   9.2436      ?      ? 
1 1 1  -20   15   12 o  333.453   9.0180  300.789   16.249   0.0000   0.0000  300.789   16.249  ?   ?   333.453   9.0180      ?      ? 
1 1 1  -20   15   13 o  640.009   8.5129  1108.11   29.424  1072.41   40.790  1146.84   42.487  629.278   11.996  650.740   12.082 -21.46246 17.02587 
1 1 1  -20   15   14 o  797.636   10.170  1724.95   43.822  1733.03   62.723  1717.24   61.250  799.433   14.520  795.839   14.243 3.594421 20.33909 
1 1 1  -20   15   15 o  350.624   6.6270  333.167   12.534  312.796   17.807  353.176   17.647  339.965   9.6931  361.283   9.0394 -21.31744 13.25396 
1 1 1  -20   15   16 o  339.611   6.4886  312.429   11.894  297.751   16.918  326.773   16.724  331.701   9.4388  347.521   8.9060 -15.82065 12.97722 
1 1 1  -20   15   17 o  987.698   12.183  2644.59   64.929  2554.72   88.976  2746.97   94.963  969.860   16.978  1005.53   17.477 -35.67426 24.36569 
1 1 1  -20   15   18 o  795.184   10.056  1712.97   43.175  1665.59   59.656  1765.08   62.565  783.680   14.087  806.689   14.353 -23.00909 20.11115 
1 1 1  -20   15   19 o  138.840   9.7162   52.455   7.2618   49.869   10.575   54.763   9.9892  135.563   14.437  142.118   13.008 -6.555023 19.43235 
1 1 1  -20   15   20 o  610.093   8.1731  1008.90   26.940  1005.02   38.408  1012.65   37.798  608.921   11.673  611.265   11.443 -2.344299 16.34622 
1 1 1  -20   15   21 o  513.420   7.3288  714.226   20.324  712.046   29.156  716.287   28.345  512.636   10.525  514.205   10.201 -1.568542 14.65753 
1 1 1  -20   15   22 o  310.671   6.5002  261.890   10.868  254.856   15.985  267.936   14.820  306.748   9.6438  314.593   8.7182 -7.844421 13.00038 
1 1 1  -20   15   23 o  236.131   8.3592  149.156   10.304  143.547   12.881  159.122   17.169  230.158   10.357  242.105   13.124 -11.94746 16.71850 
1 1 1  -20   15   24 o  663.859   12.311  1200.16   44.137  1169.59   61.181  1233.33   63.736  655.095   17.283  672.623   17.536 -17.52789 24.62140 
1 1 1  -20   15   25 o  287.863   8.9241  225.159   13.870  220.788   19.911  229.279   19.332  285.112   12.924  290.614   12.310 -5.501343 17.84814 
1 1 1  -20   15   26 o  693.261   12.747  1312.40   47.715  1339.86   69.118  1287.39   65.952  700.078   18.271  686.444   17.780 13.63379 25.49404 
1 1 1  -20   15   27 f  383.879   8.8747  399.381   18.409   0.0000   0.0000  399.381   18.409  ?   ?   383.879   8.8747      ?      ? 
1 1 1  -20   15   28 o  455.497   9.8027  565.873   24.095  545.721   34.571  584.910   33.600  447.483   14.297  463.510   13.415 -16.02762 19.60535 
1 1 1  -20   15   29 o  581.024   11.228  922.773   35.245  902.703   49.874  942.793   49.812  574.636   16.062  587.413   15.693 -12.77728 22.45560 
1 1 1  -20   15   30 o  267.264   6.6022  194.104   9.4800  168.107   13.249  221.380   13.571  248.834   9.8532  285.694   8.7905 -36.85979 13.20445 
1 1 1  -20   15   31 o  387.495   6.4267  407.658   13.444  406.010   19.415  409.175   18.635  386.702   9.2913  388.288   8.8814 -1.586029 12.85336 
1 1 1  -20   15   32 o  122.333   10.342   39.708   6.6288   56.384   10.322   28.004   8.6476  143.658   13.297  101.007   15.844 42.65062 20.68419 
1 1 1  -20   15   33 o   73.921   14.579   14.735   5.9973   20.445   9.6619   11.156   7.6492   84.175   21.241   63.667   19.974 20.50803 29.15767 
1 1 1  -20   15   34 o  135.754   9.3331   50.718   6.6253   49.041   10.728   51.753   8.4236  133.714   14.847  137.795   11.313 -4.080719 18.66617 
1 1 1  -20   15   35 o   64.827   14.987   11.416   6.1334   8.4948   9.1852   13.766   8.2394   60.059   21.853   69.595   20.515 -9.535492 29.97323 
1 1 1  -20   15   36 o  352.626   6.3318  338.926   12.030  329.720   17.552  347.082   16.521  347.995   9.3342  357.258   8.5581 -9.263000 12.66364 
1 1 1  -20   15   37 o   53.577   14.386   4.1715   5.9965   11.059   9.2489  -0.8230   7.8763   64.605   22.064   42.549   18.467 22.05610 28.77282 
1 1 1  -20   15   38 o  259.743   6.3220  183.509   8.8125  185.837   13.299  181.687   11.767  261.094   9.4260  258.392   8.4274 2.701416 12.64397 
1 1 1  -20   15   39 o   98.055   11.960   27.352   6.0236   26.554   9.5764   27.875   7.7483   95.664   19.193  100.446   14.275 -4.782234 23.91969 
1 1 1  -20   15   40 f  239.129   6.4218  154.140   8.1984  168.563   12.823  144.167   10.663  248.337   9.5553  229.920   8.5821 18.41730 12.84354 
1 1 1  -20   15   41 o  349.860   6.2620  334.898   11.802  325.245   17.228  343.436   16.202  344.934   9.2429  354.787   8.4510 -9.853119 12.52400 
1 1 1  -20   15   42 o  144.436   8.6793   57.285   6.6528   59.330   10.519   55.921   8.5890  146.299   13.305  142.572   11.149 3.726166 17.35866 
1 1 1  -20   15   43 o   71.318   14.298   15.385   5.9251   10.624   9.0756   18.922   7.8222   62.614   21.834   80.021   18.465 -17.40684 28.59527 
1 1 1  -20   15   44 o  203.450   6.8615  111.690   7.4592  127.904   11.662  100.463   9.7039  215.608   10.009  191.293   9.3877 24.31519 13.72291 
1 1 1  -20   15   45 o   44.214   13.636  -0.3438   6.0021  -1.0798   9.7084   0.1116   7.6362   46.005   20.223   42.423   18.298 3.581974 27.27230 
1 1 1  -20   15   46 o   64.652   14.837   10.936   5.9279   18.072   9.7789   6.7895   7.4535   76.611   22.283   52.694   19.597 23.91745 29.67450 
1 1 1  -20   15   47 o   44.627   13.605   0.5079   5.8585   1.0632   9.2520   0.1362   7.5693   47.198   20.246   42.055   18.178 5.143333 27.20959 
1 1 1  -20   15   48 o  128.350   10.129   49.150   6.6219   35.946   10.214   58.725   8.6976  111.455   16.958  145.244   11.082 -33.78819 20.25829 
1 1 1  -20   15   49 o  168.848   7.7462   80.061   6.9138   76.627   10.826   82.426   8.9843  165.172   12.130  172.524   9.6371 -7.351608 15.49230 
1 1 1  -20   15   50 o  118.459   10.608   40.845   6.5653   38.446   10.515   42.378   8.4051  114.542   16.988  122.376   12.710 -7.834297 21.21672 
1 1 1  -20   15   51 o  232.228   8.9881  149.205   11.279   0.0000   0.0000  149.205   11.279  ?   ?   232.228   8.9881      ?      ? 
1 1 1  -20   15   52 o  105.447   12.319   34.031   6.5900   30.310   10.408   36.520   8.5138   98.192   20.287  112.702   13.980 -14.50975 24.63777 
1 1 1  -20   15   53 o  217.998   7.1780  133.421   8.3645  130.289   12.699  135.821   11.117  215.129   10.924  220.866   9.3144 -5.737350 14.35607 
1 1 1  -20   15   54 o  111.171   12.830   40.525   6.9894   28.505   10.902   48.912   9.1070   92.261   22.149  130.080   12.956 -37.81863 25.65985 
1 1 1  -20   15   55 o   59.742   17.506   9.3077   8.5875   4.5113   18.115   10.698   9.7530   60.109   26.949   59.375   22.351 0.7335434 35.01183 
1 1 1  -20   15   57 o   35.811   18.168 -50.1351   18.135 -50.1351   18.135   0.0000   0.0000   35.811   18.168  ?   ?       ?      ? 
1 1 1  -20   15   58 o   52.275   16.136   5.7002   8.5709   7.5031   10.836   2.6869   14.009   53.122   22.310   51.429   23.320 1.693001 32.27265 
1 1 1  -20   15   59 o  115.336   16.689   50.504   10.110   41.171   15.138   58.018   13.583   99.014   27.377  131.657   19.093 -32.64268 33.37711 
1 1 1  -20   16    1 o  754.779   13.655  1543.83   55.694   0.0000   0.0000  1543.83   55.694  ?   ?   754.779   13.655      ?      ? 
1 1 1  -20   16    2 o  399.498   6.7625  432.078   14.590  419.679   20.764  444.171   20.506  393.821   9.7572  405.174   9.3660 -11.35294 13.52499 
1 1 1  -20   16    3 o  623.773   8.3799  1053.04   28.221  1066.85   40.891  1040.48   38.997  627.652   12.056  619.894   11.642 7.757324 16.75987 
1 1 1  -20   16    4 o  312.661   9.6017  264.515   16.222  264.515   16.222   0.0000   0.0000  312.661   9.6017  ?   ?       ?      ? 
1 1 1  -20   16    5 o   95.165   14.161   24.788   7.2249   34.780   10.756   16.573   9.7528  113.172   17.588   77.158   22.199 36.01378 28.32180 
1 1 1  -20   16    6 o  598.098   10.126  989.246   31.107  904.279   51.672  1037.54   38.957  577.207   16.567  618.990   11.647 -41.78247 20.25104 
1 1 1  -20   16    7 o  289.672   8.9072  221.473   12.113  239.189   24.549  215.772   13.926  296.946   15.299  282.397   9.1262 14.54886 17.81442 
1 1 1  -20   16    8 o  348.699   8.1454  327.274   14.612  322.819   18.026  335.811   24.954  345.380   9.6587  352.019   13.119 -6.639099 16.29087 
1 1 1  -20   16    9 o  325.736   9.5747  287.143   16.853  287.143   16.853   0.0000   0.0000  325.736   9.5747  ?   ?       ?      ? 
1 1 1  -20   16   10 o  238.504   7.0539  154.056   9.0853  150.697   12.988  157.274   12.714  235.948   10.186  241.060   9.7604 -5.111847 14.10777 
1 1 1  -20   16   11 o  304.147   9.6678  250.358   15.889  250.358   15.889   0.0000   0.0000  304.147   9.6678  ?   ?       ?      ? 
1 1 1  -20   16   13 o  326.256   6.5888  287.993   11.615  291.343   16.582  284.768   16.273  328.116   9.3524  324.396   9.2834 3.719818 13.17759 
1 1 1  -20   16   14 o  429.702   6.8582  499.872   15.920  494.471   22.718  505.084   22.316  427.410   9.8362  431.994   9.5596 -4.584229 13.71633 
1 1 1  -20   16   15 o  328.513   9.0178  292.061   16.008   0.0000   0.0000  292.061   16.008  ?   ?   328.513   9.0178      ?      ? 
1 1 1  -20   16   16 o  585.448   11.172  928.625   35.342   0.0000   0.0000  928.625   35.342  ?   ?   585.448   11.172      ?      ? 
1 1 1  -20   16   17 o  488.591   7.2058  645.012   19.001  611.126   26.119  683.107   27.693  474.995   10.176  502.186   10.205 -27.19104 14.41166 
1 1 1  -20   16   18 o  337.952   6.4598  309.238   11.786  309.416   17.032  309.074   16.327  338.030   9.3245  337.874   8.9424 0.1564026 12.91951 
1 1 1  -20   16   19 o  460.653   6.9726  573.021   17.303  596.704   25.681  553.330   23.417  469.310   10.127  451.995   9.5874 17.31509 13.94516 
1 1 1  -20   16   20 o  183.921   9.3108   91.352   9.0250   89.720   11.504   93.964   14.553  181.887   11.705  185.955   14.483 -4.067307 18.62159 
1 1 1  -20   16   21 o  456.748   9.6642  566.670   23.852  564.640   33.762  568.694   33.701  455.924   13.704  457.571   13.630 -1.646942 19.32830 
1 1 1  -20   16   22 o  337.959   8.9823  310.192   16.399  304.054   23.302  316.216   23.083  334.621   12.887  341.297   12.516 -6.675354 17.96462 
1 1 1  -20   16   23 o  310.864   8.7766  262.578   14.734  253.829   20.932  271.171   20.744  305.695   12.671  316.033   12.147 -10.33835 17.55317 
1 1 1  -20   16   24 o  115.089   16.123   37.637   9.6679   33.446   13.434   42.140   13.924  108.130   23.650  122.047   21.919 -13.91659 32.24531 
1 1 1  -20   16   25 o  188.855   7.9324   97.419   8.0281   91.711   11.939  102.130   10.847  183.706   12.027  194.005   10.347 -10.29958 15.86475 
1 1 1  -20   16   26 o  519.520   9.2276  748.130   24.569  689.865   41.090  780.553   30.651  502.837   15.122  536.203   10.579 -33.36594 18.45512 
1 1 1  -20   16   27 o  322.605   9.4651  284.276   16.397  276.126   24.396  290.991   22.144  318.213   14.188  326.997   12.532 -8.783661 18.93011 
1 1 1  -20   16   28 o   73.574   19.518   11.617   10.320   12.642   16.424   10.948   13.267   76.798   28.984   70.350   26.149 6.447800 39.03617 
1 1 1  -20   16   29 o   92.156   14.069   23.569   6.9898   32.426   10.401   16.274   9.4390  108.593   17.725   75.719   21.854 32.87399 28.13859 
1 1 1  -20   16   30 o   44.684   13.690  -5.0984   6.5950   4.8773   9.7597 -13.4816   8.9468   55.372   21.939   33.997   16.382 21.37503 27.38051 
1 1 1  -20   16   31 f  283.236   6.4496  218.391   9.8028  213.524   14.664  222.322   13.180  280.282   9.6824  286.190   8.5229 -5.908661 12.89916 
1 1 1  -20   16   32 o  309.978   6.2806  260.488   10.463  265.615   15.703  256.395   14.031  312.638   9.2952  307.318   8.4489 5.320190 12.56125 
1 1 1  -20   16   33 o  219.595   6.8062  132.500   7.9950  116.382   11.644  146.878   10.997  206.703   10.425  232.488   8.7537 -25.78537 13.61247 
1 1 1  -20   16   34 o  166.221   8.2040   75.751   7.2805   73.849   11.114   77.180   9.6358  164.233   12.524  168.210   10.601 -3.977066 16.40797 
1 1 1  -20   16   35 o  260.330   6.4652  183.784   9.0436  191.344   13.639  177.852   12.081  265.003   9.5246  255.658   8.7452 9.345459 12.93046 
1 1 1  -20   16   36 o  129.970   9.7340   46.954   6.6873   44.026   10.418   49.006   8.7209  126.214   15.276  133.725   12.069 -7.510818 19.46804 
1 1 1  -20   16   37 f  301.832   6.2431  248.102   10.130  248.696   15.122  247.618   13.643  302.035   9.2652  301.628   8.3703 0.4075928 12.48626 
1 1 1  -20   16   38 o  106.937   10.969   30.759   6.2355   38.378   9.9286   25.797   8.0128  117.498   15.638   96.375   15.386 21.12280 21.93784 
1 1 1  -20   16   39 o  149.759   8.3651   61.342   6.6959   64.255   10.352   59.247   8.7800  152.625   12.552  146.893   11.061 5.732300 16.73024 
1 1 1  -20   16   40 o  255.912   6.3807  180.764   8.7329  159.565   12.757  199.459   11.980  241.397   9.7798  270.427   8.1982 -29.03003 12.76145 
1 1 1  -20   16   41 o  113.221   11.224   37.684   6.4092   28.471   9.5836   45.139   8.6205   98.685   18.655  127.758   12.487 -29.07251 22.44868 
1 1 1  -20   16   42 o   66.509   15.020   12.819   6.0291   12.469   9.5411   13.052   7.7789   66.372   22.412   66.647   20.002 -0.2752457 30.03941 
1 1 1  -20   16   43 o  133.416   9.5004   50.018   6.7338   47.793   10.379   51.636   8.8490  130.400   14.729  136.431   12.003 -6.030869 19.00075 
1 1 1  -20   16   44 o   44.584   13.572  -1.7072   5.9814   5.2745   9.5556  -6.2051   7.6698   53.833   21.583   35.336   16.461 18.49726 27.14419 
1 1 1  -20   16   45 f   58.357   13.831   9.0714   5.9235  -1.3296   9.6228   15.417   7.5163   45.275   20.008   71.438   19.101 -26.16228 27.66176 
1 1 1  -20   16   46 o   69.608   15.032   14.130   6.1548   18.623   9.6228   11.018   8.0066   77.575   21.963   61.641   20.530 15.93355 30.06368 
1 1 1  -20   16   47 o  111.275   11.046   35.497   6.4901   35.515   10.303   35.486   8.3567  110.597   17.239  111.952   13.814 -1.354988 22.09104 
1 1 1  -20   16   48 o  120.977   10.031   40.983   6.4993   47.948   10.011   35.909   8.5448  129.661   14.288  112.293   14.082 17.36798 20.06142 
1 1 1  -20   16   49 o  160.100   8.4519   71.552   7.1903   75.616   11.362   68.837   9.2866  163.340   12.873  156.859   10.956 6.481827 16.90386 
1 1 1  -20   16   50 o  122.087   11.580   46.023   6.9606   32.014   10.473   57.106   9.3156  101.863   19.740  142.312   12.114 -40.44978 23.16067 
1 1 1  -20   16   51 o   57.570   14.726   6.4024   6.3893   17.694   10.156  -0.9942   8.2198   73.679   23.000   41.460   18.398 32.21915 29.45284 
1 1 1  -20   16   52 o   69.519   15.616   15.115   6.5753   19.435   10.175   12.018   8.6161   76.687   22.845   62.351   21.296 14.33527 31.23164 
1 1 1  -20   16   53 o   62.759   16.158   12.531   7.0839   11.983   10.744   12.953   9.4223   62.171   23.447   63.348   22.238 -1.176647 32.31565 
1 1 1  -20   16   54 o   42.873   14.821 -19.5598   8.4325   2.3559   17.317 -26.3717   9.6545   57.742   26.078   28.004   14.091 29.73833 29.64143 
1 1 1  -20   16   56 o   56.694   16.360   7.1302   9.0383   17.516   11.800  -7.6104   14.058   68.418   24.788   44.970   21.357 23.44728 32.71981 
1 1 1  -20   16   57 o   34.349   11.969 -19.1334   8.1412  -9.8977   10.658 -32.0721   12.615   37.252   17.932   31.446   15.859 5.805851 23.93897 
1 1 1  -20   16   58 o   69.697   18.838   20.475   10.427   12.441   15.602   26.959   14.016   60.461   26.116   78.934   27.156 -18.47330 37.67618 
1 1 1  -20   17    1 o  356.380   6.5119  343.781   12.535  339.539   17.912  347.853   17.549  354.216   9.3583  358.544   9.0576 -4.328827 13.02375 
1 1 1  -20   17    2 o   89.970   14.850   22.819   7.0767   24.673   10.421   21.231   9.6406   93.352   21.148   86.587   20.853 6.764908 29.70015 
1 1 1  -20   17    3 o  563.788   7.8369  860.407   23.871  841.266   33.395  880.404   34.134  557.378   11.088  570.198   11.078 -12.81915 15.67389 
1 1 1  -20   17    4 o  400.932   6.7095  435.218   14.530  423.737   20.655  446.464   20.442  395.684   9.6603  406.181   9.3137 -10.49707 13.41891 
1 1 1  -20   17    5 o   76.649   15.524   15.999   6.9155   21.498   10.078   11.104   9.5074   87.123   21.530   66.175   22.372 20.94834 31.04891 
1 1 1  -20   17    6 f  290.061   6.6965  228.222   10.471  217.489   15.107  238.144   14.525  283.463   9.8626  296.660   9.0610 -13.19724 13.39305 
1 1 1  -20   17    7 o  165.241   13.018   68.400   9.3254   84.347   21.778   64.819   10.319  175.816   22.923  154.667   12.347 21.14886 26.03680 
1 1 1  -20   17    8 o  651.460   12.155  1149.95   42.788   0.0000   0.0000  1149.95   42.788  ?   ?   651.460   12.155      ?      ? 
1 1 1  -20   17    9 o  299.893   8.3079  227.147   12.411  204.151   14.612  286.712   23.517  274.615   9.8469  325.172   13.384 -50.55688 16.61582 
1 1 1  -20   17   10 o  293.513   6.7446  233.438   10.680  228.619   15.450  237.848   14.781  290.591   9.8391  296.435   9.2276 -5.843811 13.48919 
1 1 1  -20   17   11 o  371.656   9.4957  373.955   19.070  373.955   19.070   0.0000   0.0000  371.656   9.4957  ?   ?       ?      ? 
1 1 1  -20   17   12 o  308.585   6.6384  257.431   11.059  242.243   15.336  273.884   15.961  299.110   9.4881  318.059   9.2870 -18.94919 13.27676 
1 1 1  -20   17   13 o  124.022   11.104   41.866   7.4316   44.064   10.458   39.625   10.562  127.337   15.199  120.706   16.193 6.630730 22.20888 
1 1 1  -20   17   14 o  118.708   12.759   40.813   7.5175   25.154   10.754   55.777   10.513   94.077   21.610  143.338   13.573 -49.26029 25.51849 
1 1 1  -20   17   15 o  407.562   6.7051  449.905   14.763  436.881   20.837  463.033   20.919  401.627   9.6010  413.498   9.3624 -11.87085 13.41022 
1 1 1  -20   17   16 o  407.026   6.7684  448.588   14.881  431.089   20.862  466.713   21.232  398.936   9.6775  415.116   9.4653 -16.17944 13.53683 
1 1 1  -20   17   17 o  323.401   7.8070  281.292   13.148  275.321   16.439  291.892   21.904  318.815   9.5421  327.987   12.359 -9.172089 15.61396 
1 1 1  -20   17   18 o  578.989   11.099  911.873   34.716  897.973   48.421  926.576   49.800  574.476   15.598  583.502   15.794 -9.025940 22.19833 
1 1 1  -20   17   19 o  185.182   11.011   93.426   10.989   84.977   15.442  102.095   15.642  176.638   16.178  193.726   14.942 -17.08810 22.02255 
1 1 1  -20   17   20 o  355.230   8.9688  342.530   17.208  335.811   23.891  349.775   24.806  351.629   12.574  358.832   12.793 -7.203491 17.93770 
1 1 1  -20   17   21 o  319.495   8.7685  277.077   15.125  271.622   20.874  283.108   21.946  316.213   12.216  322.777   12.582 -6.563934 17.53697 
1 1 1  -20   17   22 o  378.608   7.8112  387.003   15.042  395.496   26.265  382.858   18.350  381.383   12.744  375.833   9.0355 5.550293 15.62246 
1 1 1  -20   17   23 o  441.953   6.9119  529.616   16.484  534.025   23.995  525.675   22.683  443.651   10.009  440.255   9.5349 3.396667 13.82380 
1 1 1  -20   17   24 o  472.645   7.2028  606.817   18.373  596.010   26.524  616.785   25.473  468.534   10.476  476.756   9.8878 -8.222015 14.40570 
1 1 1  -20   17   25 o  417.043   9.7332  474.934   21.871  462.387   31.920  486.036   30.027  411.682   14.349  422.404   13.155 -10.72260 19.46631 
1 1 1  -20   17   26 o  179.213   12.179   89.653   11.421   81.239   18.095   95.225   14.725  171.718   19.501  186.708   14.595 -14.99043 24.35785 
1 1 1  -20   17   27 o  213.663   8.8241  124.818   9.9403  126.151   12.772  122.770   15.831  215.331   10.977  211.996   13.819 3.334946 17.64828 
1 1 1  -20   17   28 o  141.645   9.7984   54.299   7.4349   65.454   11.095   45.205   10.017  154.786   13.265  128.505   14.425 26.28081 19.59684 
1 1 1  -20   17   29 o  246.245   6.8959  164.419   9.1382  169.166   13.633  160.547   12.314  249.407   10.116  243.082   9.3746 6.324783 13.79182 
1 1 1  -20   17   30 o  457.170   7.0085  568.638   17.305  549.043   24.509  588.118   24.437  449.257   10.096  465.083   9.7235 -15.82608 14.01701 
1 1 1  -20   17   31 o  283.737   6.4576  218.850   9.8303  219.010   14.813  218.725   13.141  283.725   9.6615  283.749   8.5706 -0.2380371E-01 12.91512 
1 1 1  -20   17   32 o  329.432   6.3541  295.802   11.265  287.946   16.573  302.550   15.359  325.246   9.4295  333.619   8.5196 -8.372986 12.70821 
1 1 1  -20   17   33 o  182.212   7.4801   89.689   7.3136   98.472   11.177   83.112   9.6718  189.876   10.893  174.547   10.254 15.32887 14.96027 
1 1 1  -20   17   34 o  127.793   10.016   45.654   6.8032   39.777   10.131   50.480   9.1814  119.925   15.634  135.661   12.525 -15.73643 20.03177 
1 1 1  -20   17   35 o  201.810   7.2184  110.077   7.7931  119.021   12.068  103.680   10.206  208.663   10.703  194.957   9.6882 13.70631 14.43673 
1 1 1  -20   17   36 o  227.195   6.9005  142.454   8.3497  130.443   12.601  151.856   11.148  218.327   10.681  236.062   8.7398 -17.73515 13.80091 
1 1 1  -20   17   37 o  310.566   6.2801  263.023   10.484  265.234   15.673  261.233   14.105  311.593   9.3084  309.538   8.4329 2.054535 12.56025 
1 1 1  -20   17   38 o  137.469   9.0446   53.484   6.5313   45.003   9.9550   59.894   8.6544  127.238   14.479  147.700   10.843 -20.46201 18.08929 
1 1 1  -20   17   39 o   45.026   13.687  -0.2909   5.9068   2.6136   9.3798  -2.1997   7.6040   50.339   20.919   39.714   17.656 10.62532 27.37393 
1 1 1  -20   17   40 o  107.991   11.090   31.951   6.3748   37.467   10.144   28.350   8.1952  115.351   16.274  100.630   15.071 14.72126 22.18099 
1 1 1  -20   17   41 f  103.068   11.063   29.156   6.0734   35.248   9.6187   25.116   7.8322  111.699   15.936   94.438   15.348 17.26105 22.12506 
1 1 1  -20   17   42 o   75.082   13.879   15.567   5.8473   25.307   9.3428   9.2947   7.4972   92.085   19.389   58.079   19.865 34.00623 27.75890 
1 1 1  -20   17   43 o   74.484   12.556   17.216   6.0380   1.5969   9.2696   28.727   7.9579   48.076   20.434  100.892   14.597 -52.81561 25.11226 
1 1 1  -20   17   44 o   80.203   14.364   19.634   6.1503   19.549   9.7322   19.690   7.9359   79.514   21.937   80.893   18.550 -1.379158 28.72857 
1 1 1  -20   17   45 o   80.021   14.897   19.621   6.4388   20.526   10.173   19.016   8.3166   81.074   22.452   78.968   19.585 2.105217 29.79409 
1 1 1  -20   17   46 o  209.059   7.1572  121.969   7.9407  116.775   12.295  125.687   10.401  204.661   11.117  213.458   9.0173 -8.796616 14.31446 
1 1 1  -20   17   47 o  162.464   8.1592   72.834   7.0919   81.965   11.017   66.373   9.2674  170.824   11.935  154.105   11.129 16.71971 16.31850 
1 1 1  -20   17   48 o   57.070   14.453   8.7960   6.0880   2.0157   9.5650   13.413   7.8932   48.286   20.646   65.854   20.230 -17.56842 28.90512 
1 1 1  -20   17   49 o   76.092   14.065   16.006   6.5581   31.653   10.242   5.1318   8.5380  101.453   19.389   50.732   20.380 50.72175 28.12948 
1 1 1  -20   17   50 o   62.005   12.742   9.4554   6.3790 -10.3918   9.9450   23.329   8.3149   37.168   17.739   86.843   18.296 -49.67454 25.48398 
1 1 1  -20   17   51 o   78.765   15.210   19.596   6.5693   24.115   10.435   16.630   8.4553   85.612   22.325   71.919   20.663 13.69318 30.41977 
1 1 1  -20   17   52 o   39.315   12.915  -4.7732   6.5250  -7.4243   10.446  -3.0769   8.3556   39.791   18.751   38.840   17.764 0.9508247 25.82941 
1 1 1  -20   17   53 o   80.422   19.745   24.394   10.472   22.613   16.944   25.495   13.320   77.402   29.384   83.442   26.383 -6.039680 39.49010 
1 1 1  -20   17   55 o   68.050   16.620   16.692   8.6446   26.899   11.465   3.2410   13.161   84.655   23.975   51.445   23.024 33.20922 33.23997 
1 1 1  -20   17   56 o   81.855   18.302   25.940   8.9430   20.941   11.444   33.784   14.333   73.303   24.546   90.407   27.155 -17.10370 36.60451 
1 1 1  -20   17   57 o   62.055   18.212   14.198   9.8854   16.610   15.567   12.568   12.797   64.445   26.879   59.665   24.582 4.780132 36.42432 
1 1 1  -20   18    1 o  320.184   6.5063  277.624   11.255  274.650   16.005  280.534   15.831  318.480   9.3001  321.888   9.1015 -3.408295 13.01263 
1 1 1  -20   18    2 o  327.625   9.1767  290.632   16.246   0.0000   0.0000  290.632   16.246  ?   ?   327.625   9.1767      ?      ? 
1 1 1  -20   18    3 o  352.205   6.7286  336.569   12.781  317.297   18.256  355.093   17.899  342.268   9.8708  362.143   9.1466 -19.87509 13.45712 
1 1 1  -20   18    4 o  428.134   9.5979  496.408   22.205   0.0000   0.0000  496.408   22.205  ?   ?   428.134   9.5979      ?      ? 
1 1 1  -20   18    5 o  215.276   7.3790  125.311   8.5740  130.907   12.496  120.333   11.786  219.803   10.521  210.749   10.350 9.054718 14.75799 
1 1 1  -20   18    6 f  645.368   8.6194  1129.55   30.057  1113.85   42.304  1145.56   42.713  640.834   12.217  649.901   12.163 -9.066772 17.23875 
1 1 1  -20   18    7 o  189.136   8.0293   97.114   8.1945   92.871   11.720  101.171   11.461  185.069   11.720  193.204   10.978 -8.135620 16.05853 
1 1 1  -20   18    8 o  341.706   8.9987  315.190   14.627  320.270   28.625  313.395   17.016  343.218   15.435  340.194   9.2565 3.023804 17.99744 
1 1 1  -20   18    9 o  540.216   10.826  790.941   31.604   0.0000   0.0000  790.941   31.604  ?   ?   540.216   10.826      ?      ? 
1 1 1  -20   18   10 o  435.896   8.7953  505.512   19.213  489.593   23.014  542.117   34.899  425.111   10.019  446.682   14.459 -21.57092 17.59057 
1 1 1  -20   18   11 o  210.224   7.5818  119.781   8.6127  119.695   12.202  119.867   12.159  210.148   10.745  210.301   10.699 -0.1531830 15.16351 
1 1 1  -20   18   12 o  305.556   9.6095  252.906   15.867  252.906   15.867   0.0000   0.0000  305.556   9.6095  ?   ?       ?      ? 
1 1 1  -20   18   13 o  762.854   19.477  1589.41   80.287   0.0000   0.0000  1589.41   80.287  ?   ?   762.854   19.477      ?      ? 
1 1 1  -20   18   14 o  161.808   11.167   70.384   9.6947   64.099   12.811   78.806   14.830  153.486   15.446  170.131   16.132 -16.64563 22.33440 
1 1 1  -20   18   15 o  181.490   10.785   89.676   10.570   90.991   14.753   88.288   15.151  182.885   14.928  180.094   15.569 2.790649 21.56950 
1 1 1  -20   18   16 o  185.373   11.059   94.133   10.985  107.703   15.504   80.450   15.568  198.979   14.419  171.767   16.773 27.21222 22.11878 
1 1 1  -20   18   17 o  223.905   9.6706  135.109   11.627  158.333   17.304  115.991   15.700  241.331   13.270  206.478   14.071 34.85373 19.34127 
1 1 1  -20   18   18 f  439.799   9.6060  526.190   22.826  529.054   32.567  523.423   32.002  440.957   13.668  438.642   13.502 2.315704 19.21191 
1 1 1  -20   18   19 o  199.607   8.9821  110.937   9.2054   99.504   15.210  117.545   11.564  191.076   14.731  208.138   10.282 -17.06209 17.96426 
1 1 1  -20   18   20 o  183.914   8.0602   92.533   7.9503   84.721   11.650   99.343   10.877  176.523   12.213  191.305   10.522 -14.78204 16.12043 
1 1 1  -20   18   21 o  336.790   6.6511  308.073   12.074  301.282   17.596  314.116   16.598  333.225   9.7722  340.354   9.0250 -7.129211 13.30215 
1 1 1  -20   18   22 o  309.713   6.6253  260.824   11.058  250.082   16.025  270.588   15.279  303.557   9.7698  315.870   8.9515 -12.31332 13.25056 
1 1 1  -20   18   23 o   89.931   20.197   20.784   10.776   30.158   18.044   15.588   13.435  102.352   30.407   77.510   26.591 24.84190 40.39389 
1 1 1  -20   18   24 f  134.438   17.468   53.346   11.736   44.662   19.374   58.378   14.750  123.297   29.478  145.579   18.750 -22.28236 34.93564 
1 1 1  -20   18   25 o   96.446   19.276   27.659   11.147   14.194   17.188   37.432   14.643   79.308   29.707  113.584   24.572 -34.27615 38.55262 
1 1 1  -20   18   26 o  122.724   11.042   41.357   7.2899   41.026   10.803   41.633   9.8776  122.180   16.363  123.268   14.829 -1.087837 22.08307 
1 1 1  -20   18   27 o  303.798   6.5337  251.717   10.682  235.104   15.470  266.855   14.767  294.088   9.7350  313.507   8.7170 -19.41852 13.06742 
1 1 1  -20   18   28 o  222.848   9.5046  135.009   11.445   0.0000   0.0000  135.009   11.445  ?   ?   222.848   9.5046      ?      ? 
1 1 1  -20   18   29 o   39.036   12.736  -7.9464   6.4551 -14.0480   9.4855  -2.6833   8.8096   35.074   16.892   42.998   19.065 -7.923885 25.47246 
1 1 1  -20   18   30 o  185.917   7.6730   95.411   7.6067   85.689   11.344  103.354   10.254  177.033   11.858  194.801   9.7408 -17.76807 15.34592 
1 1 1  -20   18   31 o  222.459   6.9616  134.304   8.3325  141.110   12.487  128.841   11.188  227.454   10.159  217.465   9.5208 9.988174 13.92327 
1 1 1  -20   18   32 o   46.769   13.778  -2.6691   6.3604   7.8278   9.5438 -11.0564   8.5311   59.204   22.144   34.335   16.399 24.86916 27.55537 
1 1 1  -20   18   33 o  238.098   6.7036  153.829   8.5784  161.466   12.936  147.834   11.461  243.263   9.8412  232.932   9.1052 10.33087 13.40723 
1 1 1  -20   18   34 o   66.010   14.644   11.951   6.3584   3.9076   9.5803   18.283   8.5005   52.973   21.479   79.047   19.911 -26.07419 29.28845 
1 1 1  -20   18   35 o  158.518   8.7626   70.709   7.2577   62.363   11.432   76.344   9.3937  150.070   14.097  166.966   10.412 -16.89651 17.52510 
1 1 1  -20   18   36 o  192.279   7.4325  101.692   7.6777   98.222   11.372  104.599   10.408  189.083   11.130  195.475   9.8532 -6.391769 14.86498 
1 1 1  -20   18   37 o  139.857   9.0807   54.229   6.7873   53.130   10.329   55.064   9.0039  138.352   13.817  141.361   11.787 -3.008911 18.16139 
1 1 1  -20   18   38 o   82.901   14.944   20.082   6.6406   23.859   10.422   17.501   8.6162   89.112   21.818   76.689   20.426 12.42322 29.88770 
1 1 1  -20   18   39 o  110.539   11.021   33.862   6.5314   39.653   9.9712   29.510   8.6440  118.700   15.546  102.378   15.625 16.32153 22.04106 
1 1 1  -20   18   40 f   60.142   14.391   7.3293   6.0238   18.024   9.6443   0.4880   7.7135   77.092   22.043   43.191   18.506 33.90120 28.78150 
1 1 1  -20   18   41 f   84.448   13.633   21.812   6.1897   16.615   9.6054   25.502   8.0943   74.048   22.228   94.848   15.793 -20.80019 27.26679 
1 1 1  -20   18   42 o  147.982   8.7178   59.850   6.8910   73.854   10.600   49.600   9.0688  162.767   12.052  133.198   12.600 29.56880 17.43569 
1 1 1  -20   18   43 o   87.453   13.888   22.326   6.3355   29.036   10.091   17.961   8.1396   98.045   19.730   76.860   19.552 21.18490 27.77682 
1 1 1  -20   18   44 o  129.719   9.8876   47.810   6.8044   46.645   10.591   48.628   8.8796  127.766   15.340  131.671   12.480 -3.905289 19.77527 
1 1 1  -20   18   45 o  124.869   10.347   45.150   6.8219   40.810   10.491   48.329   8.9796  118.762   16.348  130.976   12.688 -12.21403 20.69353 
1 1 1  -20   18   46 o   61.552   15.249   11.126   6.2774   9.3008   9.7925   12.400   8.1788   59.244   22.375   63.860   20.724 -4.615681 30.49827 
1 1 1  -20   18   47 o   54.998   15.098   7.3213   6.3519   6.6351   10.100   7.7703   8.1699   55.365   22.192   54.632   20.478 0.7330551 30.19675 
1 1 1  -20   18   48 o  121.411   12.167   46.747   7.1288   31.625   11.072   57.456   9.3173  100.163   21.121  142.659   12.087 -42.49545 24.33450 
1 1 1  -20   18   49 o   50.397   14.877   3.9036   6.7362   5.9371   10.057   2.2490   9.0717   53.669   21.914   47.126   20.127 6.543686 29.75445 
1 1 1  -20   18   50 o   40.805   13.097  -3.7858   6.5041 -10.5330   10.008   1.1469   8.5575   37.060   17.718   44.549   19.292 -7.489204 26.19367 
1 1 1  -20   18   51 o  103.006   12.902   32.739   6.9206   36.132   10.909   30.454   8.9529  105.777   19.814  100.236   16.529 5.540840 25.80303 
1 1 1  -20   18   52 o   59.233   17.820   1.6826   10.001   20.757   17.087  -8.2568   12.334   75.394   29.278   43.073   20.321 32.32081 35.63912 
1 1 1  -20   18   53 o  215.365   14.582  153.114   14.036   72.905   19.621  237.162   20.085  144.349   26.117  286.382   12.979 -142.0336 29.16411 
1 1 1  -20   18   54 o  103.696   14.508   37.039   7.7901   38.723   11.797   35.737   10.373  104.590   21.589  102.801   19.385 1.789391 29.01509 
1 1 1  -20   18   55 o   99.776   15.924   34.485   9.0052   19.086   11.839   55.631   13.873   70.257   24.901  129.295   19.856 -59.03751 31.84852 
1 1 1  -20   18   56 o   51.167   16.283   3.6977   9.6823  -2.8108   14.816   8.5495   12.792   47.527   22.376   54.807   23.661 -7.280209 32.56579 
1 1 1  -20   19    1 o  291.055   9.3719  229.471   14.740   0.0000   0.0000  229.471   14.740  ?   ?   291.055   9.3719      ?      ? 
1 1 1  -20   19    2 o   75.051   15.178   15.566   6.5881   11.384   9.1575   20.051   9.4850   66.123   21.952   83.979   20.966 -17.85655 30.35599 
1 1 1  -20   19    3 o  511.884   10.484  710.231   29.000   0.0000   0.0000  710.231   29.000  ?   ?   511.884   10.484      ?      ? 
1 1 1  -20   19    4 o  378.293   6.8141  385.942   13.881  408.108   20.698  367.824   18.713  388.094   9.8697  368.491   9.3976 19.60254 13.62815 
1 1 1  -20   19    5 o  394.014   9.6150  420.601   20.472   0.0000   0.0000  420.601   20.472  ?   ?   394.014   9.6150      ?      ? 
1 1 1  -20   19    6 o  385.552   6.9272  402.689   14.414  404.559   20.941  401.006   19.869  386.376   10.030  384.729   9.5575 1.647369 13.85431 
1 1 1  -20   19    7 o  315.004   6.8442  268.604   11.623  244.174   16.170  294.724   16.719  300.170   9.9688  329.837   9.3806 -29.66785 13.68845 
1 1 1  -20   19    8 o  342.676   12.049  318.694   22.311   0.0000   0.0000  318.694   22.311  ?   ?   342.676   12.049      ?      ? 
1 1 1  -20   19    9 o  242.894   12.759  160.225   16.746   0.0000   0.0000  160.225   16.746  ?   ?   242.894   12.759      ?      ? 
1 1 1  -20   19   10 o  401.794   9.2398  438.611   20.059  437.613   28.160  439.640   28.580  401.344   12.984  402.244   13.149 -0.9001465 18.47951 
1 1 1  -20   19   11 o  242.843   12.611  160.203   16.549  160.203   16.549   0.0000   0.0000  242.843   12.611  ?   ?       ?      ? 
1 1 1  -20   19   12 o   85.178   17.610   20.386   8.9158   26.734   12.241   13.212   13.012   96.625   23.638   73.730   26.109 22.89452 35.22026 
1 1 1  -20   19   13 o  165.831   11.187   74.788   10.006   68.941   13.781   81.306   14.552  158.974   16.043  172.688   15.595 -13.71410 22.37333 
1 1 1  -20   19   14 o  390.872   9.0239  414.538   19.025  401.577   25.989  429.504   27.927  384.350   12.514  397.394   13.005 -13.04330 18.04780 
1 1 1  -20   19   15 f  378.292   7.9259  385.386   15.332  398.649   26.562  378.760   18.775  382.829   12.840  373.754   9.2961 9.074982 15.85185 
1 1 1  -20   19   16 o   97.082   20.474   26.858   10.403   0.0000   0.0000   26.858   10.403  ?   ?    97.082   20.474      ?      ? 
1 1 1  -20   19   17 o  249.709   7.1828  166.764   9.5859  185.665   14.954  153.580   12.490  261.496   10.583  237.922   9.7146 23.57381 14.36555 
1 1 1  -20   19   18 o  370.868   6.8311  373.203   13.664  373.463   19.946  372.972   18.756  370.941   9.9512  370.794   9.3611 0.1467896 13.66220 
1 1 1  -20   19   19 o  214.728   7.5227  124.436   8.6941  134.546   13.024  116.311   11.676  222.521   10.832  206.935   10.442 15.58609 15.04534 
1 1 1  -20   19   20 o  388.628   6.7997  410.360   14.265  400.781   20.491  419.367   19.870  384.174   9.8708  393.082   9.3546 -8.907623 13.59936 
1 1 1  -20   19   21 o  188.034   11.597   93.802   10.481  104.032   20.567   90.213   12.182  194.128   19.606  181.941   12.391 12.18660 23.19325 
1 1 1  -20   19   22 o  622.531   12.273  1063.18   41.221  993.018   56.577  1142.57   60.180  600.659   17.431  644.404   17.282 -43.74493 24.54639 
1 1 1  -20   19   23 f   75.529   20.071   8.5995   11.094   23.536   18.943   0.8011   13.687   92.861   31.577   58.197   24.786 34.66388 40.14293 
1 1 1  -20   19   24 o   91.061   14.500   23.678   7.0129   30.239   10.279   17.964   9.5925  103.033   19.167   79.089   21.762 23.94398 28.99908 
1 1 1  -20   19   25 o   90.388   14.738   23.685   7.0482   21.904   10.330   25.236   9.6412   86.994   21.969   93.783   19.654 -6.789040 29.47693 
1 1 1  -20   19   26 o  151.480   9.3249   63.485   7.5419   56.321   11.126   69.575   10.259  143.307   14.367  159.652   11.891 -16.34502 18.64987 
1 1 1  -20   19   27 o  154.453   9.1641   64.849   7.6175   73.339   11.295   57.767   10.317  163.688   12.770  145.218   13.147 18.46930 18.32811 
1 1 1  -20   19   28 o  143.572   9.7789   56.256   7.5452   65.212   11.133   48.646   10.262  154.151   13.365  132.993   14.279 21.15759 19.55786 
1 1 1  -20   19   29 o  106.329   12.364   31.978   6.9024   30.422   10.162   33.310   9.4052  102.909   18.973  109.748   15.859 -6.839462 24.72801 
1 1 1  -20   19   30 o  148.364   9.0893   60.369   7.2552   61.102   10.803   59.767   9.7924  149.079   13.410  147.648   12.274 1.431000 18.17862 
1 1 1  -20   19   31 f  343.374   6.4962  321.367   12.039  320.498   17.447  322.157   16.633  342.856   9.4172  343.892   8.9510 -1.036102 12.99246 
1 1 1  -20   19   32 o   74.900   15.415   16.427   6.6426   14.401   9.9042   18.084   8.9553   71.273   22.772   78.527   20.781 -7.254295 30.82905 
1 1 1  -20   19   33 o  202.687   7.4091  114.071   7.9998   98.162   11.747  127.829   10.924  189.045   11.500  216.330   9.3452 -27.28477 14.81812 
1 1 1  -20   19   34 f   93.124   13.516   24.697   6.4954   29.967   10.253   21.165   8.3948  101.272   19.443   84.977   18.782 16.29496 27.03284 
1 1 1  -20   19   35 o   55.931   15.164   6.1923   6.3714   9.4366   9.9718   3.9539   8.2827   61.844   22.729   50.018   20.080 11.82666 30.32804 
1 1 1  -20   19   36 o  167.408   8.1691   76.599   7.2791   80.958   11.447   73.639   9.4315  171.127   12.379  163.689   10.663 7.438889 16.33828 
1 1 1  -20   19   37 o   56.514   14.627   4.9939   6.2532   15.031   9.9355  -1.5903   8.0468   71.513   22.804   41.514   18.323 29.99884 29.25360 
1 1 1  -20   19   38 o   49.453   14.389   2.3558   6.3126   6.6935   9.3173  -1.3248   8.5827   55.809   21.635   43.096   18.978 12.71298 28.77876 
1 1 1  -20   19   39 o  160.664   8.5595   72.387   7.2861   67.807   11.259   75.687   9.5570  155.763   13.377  165.565   10.682 -9.802414 17.11895 
1 1 1  -20   19   40 o  207.814   7.1824  118.925   8.0096  121.936   12.120  116.590   10.672  209.905   10.685  205.723   9.6003 4.182220 14.36471 
1 1 1  -20   19   41 o  160.213   8.4166   72.303   7.1275   67.393   11.071   75.777   9.3144  154.944   13.223  165.482   10.416 -10.53790 16.83314 
1 1 1  -20   19   42 o   75.687   15.005   16.827   6.5826   24.884   10.031   10.734   8.7235   89.860   21.031   61.514   21.409 28.34641 30.01050 
1 1 1  -20   19   43 o   42.894   13.466  -2.6285   6.2094   2.4268   9.7091  -6.1274   8.0773   49.528   20.976   36.260   16.892 13.26725 26.93174 
1 1 1  -20   19   44 o   66.629   12.668   12.250   6.3519  -6.8206   9.8094   26.019   8.3354   40.000   18.628   93.259   17.173 -53.25887 25.33624 
1 1 1  -20   19   45 o  118.343   11.063   39.337   6.9649   49.439   11.012   32.602   8.9918  130.642   15.599  106.045   15.692 24.59645 22.12618 
1 1 1  -20   19   46 o   70.023   15.294   15.604   6.4231   12.847   10.070   17.496   8.3398   65.331   22.987   74.714   20.181 -9.383217 30.58865 
1 1 1  -20   19   47 o  171.192   8.3416   83.296   7.5633   79.921   11.774   85.666   9.8689  167.412   13.015  174.972   10.438 -7.559692 16.68323 
1 1 1  -20   19   48 o   80.653   15.482   20.177   6.8440   27.543   11.095   15.652   8.6956   91.534   22.572   69.771   21.195 21.76241 30.96354 
1 1 1  -20   19   49 o  111.425   12.505   37.882   7.2105   38.430   11.314   37.507   9.3571  110.139   19.734  112.711   15.363 -2.572121 25.00951 
1 1 1  -20   19   50 o  158.577   9.6157   74.348   8.0993   67.864   12.246   79.389   10.798  151.044   15.004  166.110   12.030 -15.06633 19.23144 
1 1 1  -20   19   51 o   48.709   16.254 -10.8360   10.388   2.7950   17.759 -17.9257   12.808   58.956   26.537   38.461   18.778 20.49433 32.50879 
1 1 1  -20   19   52 o   69.880   18.467   17.167   10.001   6.9595   16.978   22.590   12.375   60.812   26.737   78.948   25.480 -18.13518 36.93372 
1 1 1  -20   19   53 o   54.289   15.610   9.3680   7.1511   8.9223   10.984   9.6960   9.4211   54.164   22.584   54.415   21.557 -0.2516060 31.22056 
1 1 1  -20   19   54 o   58.650   17.471   10.225   9.4295   11.525   13.731   9.0653   12.972   60.219   25.191   57.082   24.214 3.136555 34.94146 
1 1 1  -20   19   55 o   66.689   18.709   19.100   10.275   24.842   14.557   13.401   14.504   73.503   27.378   59.874   25.507 13.62905 37.41872 
1 1 1  -20   20    1 o  443.335   9.2011  534.576   22.042  536.487   31.142  532.658   31.203  444.137   12.976  442.533   13.048 1.603973 18.40217 
1 1 1  -20   20    2 o  231.744   8.5763  145.071   10.708  133.491   14.505  158.941   15.874  221.642   12.111  241.845   12.147 -20.20303 17.15265 
1 1 1  -20   20    3 o  576.698   10.993  907.087   34.256  904.054   48.384  910.135   48.507  575.729   15.552  577.667   15.540 -1.937439 21.98530 
1 1 1  -20   20    4 o  200.494   9.2565  109.291   10.025  107.680   13.944  111.013   14.422  198.978   12.969  202.009   13.212 -3.031189 18.51304 
1 1 1  -20   20    5 o  209.438   9.3771  119.552   10.589  127.770   14.913  111.194   15.039  216.767   12.731  202.108   13.771 14.65942 18.75412 
1 1 1  -20   20    6 f  367.529   8.7483  366.118   17.346  386.712   25.430  348.198   23.721  377.147   12.478  357.912   12.265 19.23526 17.49658 
1 1 1  -20   20    7 o  212.922   9.5785  123.322   10.998  134.392   15.787  112.883   15.331  222.246   13.145  203.598   13.935 18.64793 19.15700 
1 1 1  -20   20    8 f  170.489   10.759   79.287   9.9042   83.378   14.091   75.293   13.923  174.868   14.913  166.111   15.512 8.757050 21.51753 
1 1 1  -20   20    9 o  345.590   7.7440  326.649   14.061  313.964   22.468  334.816   18.029  339.819   12.236  351.360   9.4956 -11.54077 15.48808 
1 1 1  -20   20   10 o  122.228   16.407   40.830   10.836   0.0000   0.0000   40.830   10.836  ?   ?   122.228   16.407      ?      ? 
1 1 1  -20   20   11 o  117.643   12.328   37.878   7.8355   37.106   10.957   38.685   11.209  116.418   17.418  118.868   17.451 -2.449219 24.65585 
1 1 1  -20   20   12 o   84.141   17.128   22.104   8.8571   29.138   10.336   2.6554   17.186  101.333   19.584   66.950   28.105 34.38338 34.25555 
1 1 1  -20   20   13 o  272.103   6.9571  199.595   10.186  215.423   15.290  186.967   13.658  281.711   10.045  262.496   9.6288 19.21509 13.91424 
1 1 1  -20   20   14 o  193.462   8.1650  101.473   8.5232  108.016   12.456   95.712   11.688  199.308   11.566  187.617   11.529 11.69157 16.33002 
1 1 1  -20   20   15 o   93.684   14.749   25.119   7.2698   25.872   10.520   24.430   10.058   95.017   21.044   92.350   20.671 2.667625 29.49755 
1 1 1  -20   20   16 o  222.948   7.4681  135.185   8.9853  133.046   12.984  137.151   12.448  221.217   10.862  224.680   10.253 -3.463043 14.93616 
1 1 1  -20   20   17 o  447.405   9.8161  543.785   23.732   0.0000   0.0000  543.785   23.732  ?   ?   447.405   9.8161      ?      ? 
1 1 1  -20   20   18 o   63.225   15.222   8.4142   7.2017  -3.1911   10.778   17.776   9.6801   47.668   21.114   78.782   21.931 -31.11420 30.44333 
1 1 1  -20   20   19 o  471.954   9.7224  626.027   22.709  565.090   40.301  654.377   27.489  453.447   16.448  490.461   10.372 -37.01456 19.44481 
1 1 1  -20   20   20 o  263.415   10.924  190.655   15.184  188.829   24.158  191.847   19.522  261.933   17.068  264.897   13.638 -2.963562 21.84784 
1 1 1  -20   20   21 o  179.196   13.604   86.112   12.679   98.829   21.586   79.414   15.666  188.540   21.187  169.852   17.068 18.68803 27.20724 
1 1 1  -20   20   22 o  219.828   9.1814  132.678   10.559  134.639   13.413  129.482   17.122  222.297   11.167  217.359   14.577 4.937729 18.36273 
1 1 1  -20   20   23 o  327.169   6.7527  291.390   11.927  282.373   17.057  300.017   16.684  322.155   9.7984  332.183   9.2946 -10.02795 13.50547 
1 1 1  -20   20   24 o  236.275   7.1710  152.360   9.0990  131.540   12.737  174.057   13.002  219.644   10.732  252.906   9.5143 -33.26207 14.34204 
1 1 1  -20   20   25 o   71.645   15.636   13.799   6.9005   20.315   10.176   8.2520   9.3894   83.466   22.182   59.823   22.044 23.64298 31.27283 
1 1 1  -20   20   26 o  165.524   8.9819   75.307   8.0128   71.642   11.563   78.692   11.114  161.534   13.247  169.514   12.133 -7.979980 17.96383 
1 1 1  -20   20   27 o   43.405   13.726  -4.4892   6.6840   0.1419   9.8616  -8.4243   9.0906   48.787   20.915   38.023   17.782 10.76469 27.45212 
1 1 1  -20   20   28 o  257.535   6.8333  180.930   9.4737  180.216   14.002  181.533   12.866  256.960   10.084  258.110   9.2248 -1.149536 13.66667 
1 1 1  -20   20   29 o  141.947   9.9471   56.061   7.5211   45.405   10.632   66.735   10.641  128.044   15.367  155.850   12.635 -27.80624 19.89413 
1 1 1  -20   20   30 o  226.139   7.1555  139.537   8.7227  143.562   12.861  136.109   11.870  229.081   10.390  223.197   9.8416 5.883377 14.31098 
1 1 1  -20   20   31 o  216.383   7.2119  128.579   8.3971  123.278   12.297  133.211   11.494  212.038   10.732  220.728   9.6371 -8.689560 14.42387 
1 1 1  -20   20   32 o  335.653   6.4867  307.937   11.733  307.354   17.233  308.441   16.018  335.212   9.5140  336.093   8.8201 -0.8807983 12.97344 
1 1 1  -20   20   33 o  161.105   9.1618   74.668   7.6441   56.726   11.580   88.524   10.177  142.609   15.027  179.601   10.486 -36.99121 18.32355 
1 1 1  -20   20   34 o  170.855   8.1475   80.301   7.4752   81.911   11.261   79.033   9.9951  172.208   12.101  169.501   10.913 2.706528 16.29491 
1 1 1  -20   20   35 o   42.016   13.471  -5.0183   6.5781  -0.9061   10.071  -8.0778   8.6870   47.285   20.696   36.747   17.248 10.53842 26.94106 
1 1 1  -20   20   36 o  245.215   6.7815  165.321   8.9306  164.104   13.360  166.304   12.008  244.166   10.126  246.265   9.0233 -2.099335 13.56292 
1 1 1  -20   20   37 o   63.891   15.131   11.635   6.3087   7.8010   9.5200   14.638   8.4240   57.814   22.007   69.967   20.774 -12.15330 30.26282 
1 1 1  -20   20   38 o   55.987   14.199   5.3974   6.6012  -7.2367   9.8932   15.536   8.8626   40.351   18.763   71.622   21.317 -31.27100 28.39888 
1 1 1  -20   20   39 o   85.339   14.532   21.700   6.6109   27.565   10.183   17.428   8.6913   95.197   20.409   75.481   20.692 19.71575 29.06351 
1 1 1  -20   20   40 o   54.314   14.306   4.3871   6.6407  -7.2176   9.8032   14.228   9.0275   39.994   18.624   68.635   21.721 -28.64193 28.61245 
1 1 1  -20   20   41 o  170.704   8.1375   80.821   7.4064   84.524   11.548   78.234   9.6534  173.608   12.310  167.799   10.646 5.809418 16.27498 
1 1 1  -20   20   42 o   65.417   15.151   12.801   6.6507   5.5347   10.140   18.288   8.8109   54.268   22.064   76.565   20.769 -22.29706 30.30132 
1 1 1  -20   20   43 o  159.441   8.6866   73.141   7.3119   61.108   10.906   82.966   9.8549  146.417   13.784  172.465   10.575 -26.04802 17.37314 
1 1 1  -20   20   44 o   59.827   15.754   9.5465   6.7431   12.097   10.499   7.7558   8.7976   64.272   23.367   55.382   21.137 8.889931 31.50861 
1 1 1  -20   20   45 o   52.224   14.631   3.9853   6.8643  -5.8584   10.361   11.685   9.1638   41.846   19.369   62.603   21.934 -20.75695 29.26193 
1 1 1  -20   20   46 o   61.454   15.746   10.767   6.7330   14.683   10.309   7.8530   8.8915   67.832   23.292   55.076   21.195 12.75571 31.49161 
1 1 1  -20   20   47 o   66.027   15.980   13.605   6.8155   16.112   10.421   11.731   9.0097   70.189   23.423   61.864   21.744 8.324917 31.96027 
1 1 1  -20   20   48 o   60.301   16.061   11.170   7.0868   10.154   11.201   11.848   9.1514   59.528   23.529   61.074   21.867 -1.545864 32.12176 
1 1 1  -20   20   49 o  107.118   17.236   46.094   9.0392   27.207   19.382   51.344   10.219   82.077   31.362  132.158   14.309 -50.08109 34.47237 
1 1 1  -20   20   50 o  131.455   16.758   57.395   10.606   58.018   19.106   57.117   12.751  125.521   28.782  137.390   17.175 -11.86951 33.51694 
1 1 1  -20   20   51 o   68.704   19.288   16.402   10.052   21.426   18.244   14.212   12.045   73.112   29.642   64.297   24.687 8.815308 38.57598 
1 1 1  -20   20   52 o  113.934   15.846   48.933   9.2685   57.322   12.144   37.230   14.344  133.626   16.819   94.242   26.861 39.38428 31.69168 
1 1 1  -20   20   53 o   66.952   18.016   13.944   10.453   30.698   14.859  -2.4707   14.708   85.143   27.949   48.761   22.742 36.38221 36.03252 
1 1 1  -20   20   54 o   63.007   18.436   16.694   10.303   12.820   14.289   20.890   14.870   58.640   25.158   67.374   26.955 -8.733906 36.87115 
1 1 1  -20   21    1 o  155.309   9.7667   65.009   8.0216   85.991   12.036   48.241   10.760  177.721   12.533  132.896   14.983 44.82448 19.53347 
1 1 1  -20   21    2 o  293.016   11.843  233.559   18.751  233.559   18.751   0.0000   0.0000  293.016   11.843  ?   ?       ?      ? 
1 1 1  -20   21    3 o  158.484   8.7563   68.321   7.4960   70.197   10.782   66.565   10.429  160.585   12.425  156.384   12.341 4.201080 17.51258 
1 1 1  -20   21    4 o  345.589   9.4211  324.085   17.593   0.0000   0.0000  324.085   17.593  ?   ?   345.589   9.4211      ?      ? 
1 1 1  -20   21    5 o   69.131   16.167   12.648   7.0291   13.762   10.130   11.614   9.7613   71.327   23.056   66.935   22.668 4.391693 32.33348 
1 1 1  -20   21    6 o  346.766   6.8414  326.569   12.813  318.047   18.246  334.859   17.997  342.268   9.8653  351.263   9.4813 -8.994629 13.68285 
1 1 1  -20   21    7 o   71.618   16.160   13.365   7.1638   18.649   10.747   9.1389   9.6106   81.004   23.302   62.231   22.396 18.77317 32.31911 
1 1 1  -20   21    8 o  261.609   9.9127  185.850   14.013   0.0000   0.0000  185.850   14.013  ?   ?   261.609   9.9127      ?      ? 
1 1 1  -20   21   10 o   54.627   15.698   2.2029   7.6506  -4.9303   11.260   8.3194   10.427   47.202   21.199   62.053   23.159 -14.85107 31.39619 
1 1 1  -20   21   11 o  156.961   16.270   77.418   9.9812   57.613   22.248   82.408   11.168  139.976   30.293  173.946   11.882 -33.96951 32.54000 
1 1 1  -20   21   12 o  155.434   20.651   66.937   17.345   0.0000   0.0000   66.937   17.345  ?   ?   155.434   20.651      ?      ? 
1 1 1  -20   21   13 o  345.706   8.7329  320.845   15.171  312.370   18.240  339.865   27.326  338.982   9.9580  352.430   14.349 -13.44846 17.46586 
1 1 1  -20   21   14 o  487.285   7.4722  646.367   19.655  639.671   28.365  652.552   27.261  484.770   10.828  489.799   10.300 -5.029175 14.94450 
1 1 1  -20   21   15 o  149.577   9.7452   61.029   7.8511   63.051   11.655   59.348   10.623  151.783   14.211  147.370   13.339 4.411987 19.49049 
1 1 1  -20   21   16 o   54.166   15.381   3.8839   6.9718   0.6685   10.282   6.6208   9.4857   50.771   21.548   57.561   21.953 -6.790340 30.76163 
1 1 1  -20   21   17 o   74.677   20.359   11.187   9.1343   10.606   23.622   11.289   9.9048   83.114   33.718   66.241   22.826 16.87224 40.71798 
1 1 1  -20   21   18 o  301.816   11.002  255.006   17.582  212.635   26.033  290.540   23.841  277.722   17.347  325.910   13.537 -48.18790 22.00418 
1 1 1  -20   21   19 f  166.723   15.222   75.737   13.404   86.396   21.871   69.324   16.963  175.493   23.063  157.952   19.874 17.54077 30.44439 
1 1 1  -20   21   20 o  241.388   9.0619  154.059   11.298  142.323   13.836  177.545   19.574  228.410   11.210  254.365   14.241 -25.95445 18.12374 
1 1 1  -20   21   21 o  202.971   7.9337  112.811   8.6635  108.173   12.701  116.847   11.847  198.943   11.815  206.999   10.592 -8.055634 15.86747 
1 1 1  -20   21   22 o   58.527   15.918   6.8026   7.0767   7.5480   10.412   6.1626   9.6474   60.270   22.997   56.785   22.014 3.484333 31.83558 
1 1 1  -20   21   23 o  173.742   8.5398   82.378   8.0031   89.075   11.704   76.497   10.968  180.364   12.009  167.120   12.145 13.24352 17.07969 
1 1 1  -20   21   24 o  201.346   7.8423  111.440   8.4676  104.926   12.548  116.886   11.474  195.745   11.863  206.948   10.260 -11.20352 15.68470 
1 1 1  -20   21   25 o   45.523   14.201  -2.7744   6.8905   0.5930   9.9747  -5.8482   9.5299   49.558   21.134   41.488   18.974 8.069229 28.40167 
1 1 1  -20   21   26 o   91.723   14.242   24.681   6.8612   22.370   10.016   26.723   9.4178   87.264   21.403   96.183   18.794 -8.918686 28.48390 
1 1 1  -20   21   27 o   97.565   13.280   26.510   7.0164   49.485   10.756   9.4902   9.2575  133.674   14.890   61.457   21.995 72.21695 26.56092 
1 1 1  -20   21   28 o  121.799   11.182   42.522   7.1276   34.303   10.768   48.932   9.5092  110.462   18.039  133.135   13.218 -22.67281 22.36349 
1 1 1  -20   21   29 o  212.975   7.3736  124.688   8.4590  118.171   12.242  130.641   11.702  207.487   10.919  218.462   9.9124 -10.97507 14.74722 
1 1 1  -20   21   30 o  186.866   7.8883   95.991   7.9370   95.876   11.721   96.088   10.786  186.626   11.623  187.105   10.668 -0.4788513 15.77662 
1 1 1  -20   21   31 o  156.299   8.7659   68.277   7.2953   61.573   10.944   73.638   9.7867  148.965   13.596  163.634   11.068 -14.66934 17.53170 
1 1 1  -20   21   32 o   95.571   13.876   26.285   7.0497   33.252   10.511   20.588   9.5044  108.242   17.971   82.901   21.149 25.34109 27.75270 
1 1 1  -20   21   33 o  264.583   6.9633  192.847   9.9036  186.275   14.624  198.414   13.460  260.155   10.402  269.011   9.2596 -8.855347 13.92668 
1 1 1  -20   21   34 o   73.358   15.327   15.576   6.6851   22.027   9.9521   10.272   9.0241   85.118   21.601   61.597   21.751 23.52061 30.65462 
1 1 1  -20   21   35 f   71.605   14.599   15.566   6.5757   5.9786   10.015   22.831   8.7180   55.736   22.180   87.474   18.989 -31.73825 29.19787 
1 1 1  -20   21   36 o   68.299   15.745   13.193   6.7007   18.143   10.344   9.6133   8.7957   76.806   23.068   59.792   21.435 17.01362 31.48980 
1 1 1  -20   21   37 o   77.188   13.445   17.857   6.6216   3.8005   9.6872   30.185   9.0718   51.687   21.351  102.690   16.348 -51.00331 26.89086 
1 1 1  -20   21   38 o   86.851   15.122   23.132   6.9977   24.653   10.686   21.991   9.2592   88.981   22.276   84.721   20.457 4.259804 30.24378 
1 1 1  -20   21   39 o  183.405   8.0533   91.218   7.8369  107.747   12.631   80.871   9.9931  196.272   11.909  170.538   10.844 25.73480 16.10651 
1 1 1  -20   21   40 f   77.718   15.269   18.916   6.5859   19.094   10.213   18.789   8.6170   77.627   22.828   77.808   20.286 -0.1811676 30.53892 
1 1 1  -20   21   41 o  111.484   11.557   36.079   6.8645   36.452   10.627   35.812   8.9921  111.313   17.668  111.654   14.904 -0.3405533 23.11444 
1 1 1  -20   21   42 o   94.907   18.708   27.562   9.2534   0.0000   0.0000   27.562   9.2534  ?   ?    94.907   18.708      ?      ? 
1 1 1  -20   21   43 o   79.846   15.236   20.867   6.8232   16.117   10.728   24.095   8.8422   71.306   23.764   88.386   19.073 -17.07979 30.47156 
1 1 1  -20   21   44 o   63.662   16.070   11.993   6.9363   14.885   10.661   9.8697   9.1341   68.436   23.675   58.888   21.735 9.547268 32.13932 
1 1 1  -20   21   45 o  140.174   10.069   57.429   7.4258   53.952   11.672   59.793   9.6252  135.383   15.954  144.965   12.287 -9.582413 20.13745 
1 1 1  -20   21   46 o   63.863   15.734   13.149   6.8652   8.6776   10.829   16.154   8.8772   57.690   23.030   70.035   21.444 -12.34445 31.46780 
1 1 1  -20   21   47 o  135.104   10.590   54.460   7.6341   52.833   11.605   55.701   10.136  132.232   16.241  137.975   13.595 -5.743942 21.18021 
1 1 1  -20   21   48 o   48.172   15.912  -6.8602   10.403 -22.1914   18.457   0.2788   12.595   46.016   22.482   50.327   22.524 -4.311378 31.82420 
1 1 1  -20   21   49 o   61.601   18.586   8.9012   10.155   9.1261   19.323   8.8153   11.936   64.754   28.496   58.449   23.871 6.305206 37.17296 
1 1 1  -20   21   50 o   45.325   14.772  -2.4944   8.5209  -8.8484   11.756   4.5383   12.368   39.725   19.047   50.925   22.585 -11.19994 29.54440 
1 1 1  -20   21   51 o   83.771   20.156   30.450   10.952   32.117   15.196   28.649   15.799   86.732   28.254   80.810   28.753 5.921799 40.31155 
1 1 1  -20   21   52 o   71.823   19.285   21.871   10.853   12.342   15.078   32.117   15.635   59.930   25.781   83.715   28.687 -23.78479 38.56967 
1 1 1  -20   22    1 o  219.789   7.3264  131.337   8.6868  142.046   12.456  121.196   12.121  228.546   10.086  211.031   10.629 17.51498 14.65277 
1 1 1  -20   22    2 o  231.039   7.3221  144.152   9.0966  126.023   12.337  165.753   13.467  215.196   10.609  246.881   10.094 -31.68465 14.64411 
1 1 1  -20   22    3 o  218.720   10.342  130.137   12.223   0.0000   0.0000  130.137   12.223  ?   ?   218.720   10.342      ?      ? 
1 1 1  -20   22    4 o  221.339   7.5079  133.290   8.9726  134.107   12.969  132.540   12.426  221.959   10.813  220.719   10.419 1.240967 15.01588 
1 1 1  -20   22    5 o   60.813   15.917   8.1057   6.9905   10.293   9.8835   5.9160   9.8886   64.442   22.762   57.184   22.255 7.257988 31.83357 
1 1 1  -20   22    6 o   86.876   15.082   21.717   7.2028   29.177   10.329   14.655   10.049  101.056   19.623   72.696   22.908 28.36069 30.16343 
1 1 1  -20   22    7 o  182.805   8.4917   91.221   8.3789   87.745   11.968   94.563   11.734  179.338   12.350  186.273   11.658 -6.935059 16.98332 
1 1 1  -20   22    8 o  397.884   9.7941  430.357   21.058   0.0000   0.0000  430.357   21.058  ?   ?   397.884   9.7941      ?      ? 
1 1 1  -20   22    9 o  138.004   10.512   52.140   7.8351   53.765   11.294   50.632   10.879  140.067   14.921  135.940   14.810 4.127548 21.02330 
1 1 1  -20   22   10 o  107.076   13.850   33.337   7.6509   23.162   11.047   42.715   10.606   89.412   22.796  124.741   15.735 -35.32916 27.69911 
1 1 1  -20   22   11 o  331.074   7.1064  299.119   12.625  288.810   18.818  307.556   17.024  325.725   10.691  336.422   9.3647 -10.69681 14.21281 
1 1 1  -20   22   12 o  158.428   16.722   79.380   10.249   59.257   23.159   84.282   11.430  141.092   31.204  175.763   12.034 -34.67143 33.44447 
1 1 1  -20   22   13 o  237.489   9.8670  150.205   11.569  144.311   13.680  165.000   21.676  230.140   11.001  244.837   16.383 -14.69701 19.73403 
1 1 1  -20   22   14 o  133.268   14.637   42.533   9.4556   32.595   10.967   71.329   18.667  106.760   19.737  159.776   21.621 -53.01534 29.27457 
1 1 1  -20   22   15 o  243.539   12.194  165.260   15.607  157.658   24.830  170.225   20.066  238.188   19.292  248.891   14.920 -10.70277 24.38798 
1 1 1  -20   22   16 o  156.484   19.466   81.214   14.373   45.608   24.133  100.788   17.893  122.136   34.851  190.831   17.352 -68.69574 38.93183 
1 1 1  -20   22   17 o  158.204   18.143   73.270   14.491   68.671   23.587   76.059   18.365  151.595   29.856  164.814   20.621 -13.21906 36.28515 
1 1 1  -20   22   18 o  330.923   9.6747  298.362   17.300   0.0000   0.0000  298.362   17.300  ?   ?   330.923   9.6747      ?      ? 
1 1 1  -20   22   19 o   78.501   15.944   17.939   7.3029   12.800   10.641   22.516   10.041   69.239   23.666   87.763   21.372 -18.52374 31.88838 
1 1 1  -20   22   20 o  252.098   7.1900  171.592   9.7261  188.633   14.865  158.835   12.861  262.855   10.466  241.342   9.8619 21.51280 14.38000 
1 1 1  -20   22   21 o  404.625   6.9553  447.165   15.180  434.566   21.949  458.716   21.016  399.018   10.180  410.231   9.4804 -11.21268 13.91058 
1 1 1  -20   22   22 o   61.046   15.863   8.4671   7.0804   3.8782   10.482   12.318   9.6020   54.860   22.383   67.232   22.484 -12.37149 31.72599 
1 1 1  -20   22   23 o  170.231   8.8210   80.114   8.0345   75.263   12.013   84.042   10.808  165.311   13.448  175.150   11.419 -9.839798 17.64203 
1 1 1  -20   22   24 o  193.704   8.0208  102.847   8.3755  103.236   12.283  102.508   11.450  193.951   11.720  193.456   10.953 0.4951324 16.04155 
1 1 1  -20   22   25 o   93.202   14.512   25.342   7.1085   29.555   10.528   21.812   9.6368  100.507   20.087   85.897   20.949 14.61050 29.02381 
1 1 1  -20   22   26 o  108.873   13.693   38.352   7.4734   15.260   11.061   57.751   10.138   73.159   24.118  144.587   12.975 -71.42755 27.38683 
1 1 1  -20   22   27 f  135.197   10.381   51.862   7.4174   43.971   11.119   58.191   9.9569  125.250   16.428  145.144   12.695 -19.89383 20.76168 
1 1 1  -20   22   28 o   76.263   14.667   14.879   7.0376   30.159   10.780   3.5282   9.2910  101.080   20.438   51.446   21.041 49.63422 29.33326 
1 1 1  -20   22   29 o   56.655   15.229   6.3639   6.7990   0.2978   10.061   11.463   9.2240   48.813   21.029   64.496   22.035 -15.68341 30.45864 
1 1 1  -20   22   30 o  183.516   8.0984   91.442   7.9390  102.978   12.420   83.473   10.323  192.984   11.910  174.049   10.976 18.93506 16.19672 
1 1 1  -20   22   31 o  105.490   13.156   32.413   7.3208   31.314   10.608   33.413   10.116  102.644   19.843  108.335   17.280 -5.690193 26.31270 
1 1 1  -20   22   32 o  250.541   9.4043  172.396   12.732   0.0000   0.0000  172.396   12.732  ?   ?   250.541   9.4043      ?      ? 
1 1 1  -20   22   33 o  143.350   9.6179   56.421   7.3628   70.029   11.260   46.257   9.7315  158.317   13.162  128.384   14.028 29.93376 19.23585 
1 1 1  -20   22   34 o   90.948   14.561   25.640   7.0093   20.803   10.403   29.662   9.4855   81.889   22.715  100.007   18.224 -18.11806 29.12161 
1 1 1  -20   22   35 o  161.699   9.1115   74.086   7.8578   63.061   11.380   84.133   10.863  149.505   14.086  173.892   11.561 -24.38731 18.22294 
1 1 1  -20   22   36 o  151.570   9.5294   65.926   7.6181   56.886   11.563   72.860   10.127  141.413   15.131  161.728   11.588 -20.31528 19.05885 
1 1 1  -20   22   37 o  132.589   10.648   50.367   7.5484   48.757   11.406   51.621   10.069  130.127   16.221  135.051   13.797 -4.923386 21.29507 
1 1 1  -20   22   38 o  139.318   10.094   55.207   7.4217   55.652   11.829   54.918   9.5312  139.002   15.748  139.633   12.632 -0.6315002 20.18827 
1 1 1  -20   22   39 o  172.795   8.5890   84.450   7.8966   81.523   12.143   86.596   10.395  169.524   13.256  176.066   10.926 -6.542191 17.17799 
1 1 1  -20   22   40 o  193.535   8.2659  105.565   8.5579  103.523   12.967  107.140   11.391  191.298   12.545  195.772   10.767 -4.473663 16.53185 
1 1 1  -20   22   41 o  113.284   12.923   39.572   7.4264   32.598   11.376   44.751   9.8034  101.741   21.372  124.826   14.534 -23.08501 25.84572 
1 1 1  -20   22   42 o   80.866   16.342   21.519   7.4554   21.072   11.532   21.839   9.7724   79.490   24.458   82.242   21.682 -2.752922 32.68430 
1 1 1  -20   22   43 o   69.258   14.551   10.956   7.1633   30.057   11.149  -2.4725   9.3482   96.207   21.933   42.309   19.129 53.89725 29.10286 
1 1 1  -20   22   44 o  219.415   7.7120  138.115   8.9634  120.200   13.463  152.379   12.013  205.301   12.136  233.529   9.5197 -28.22705 15.42393 
1 1 1  -20   22   45 o  184.247   8.6249   98.127   8.4567   95.839   13.022   99.796   11.121  181.304   13.292  187.189   10.994 -5.884689 17.24975 
1 1 1  -20   22   46 o  193.218   12.330  109.884   10.237  120.090   22.948  107.348   11.438  191.913   22.129  194.523   10.882 -2.610443 24.65956 
1 1 1  -20   22   47 o   98.607   18.440   38.958   10.949   20.270   20.679   46.239   12.907   75.626   31.213  121.587   19.645 -45.96164 36.88082 
1 1 1  -20   22   48 o   53.850   17.566  -3.2585   10.940   14.268   19.519 -11.2860   13.210   66.016   28.855   41.683   20.040 24.33260 35.13134 
1 1 1  -20   22   49 o   75.406   19.295   25.147   10.209   28.716   14.391   21.532   14.486   80.536   27.523   70.276   27.050 10.26028 38.59038 
1 1 1  -20   22   50 o   47.191   15.645  -3.9173   10.034  -4.2793   14.783  -3.6081   13.664   47.717   22.430   46.665   21.817 1.051910 31.29028 
1 1 1  -20   22   51 o   69.415   19.502   22.703   10.911   21.748   14.902   23.806   16.021   68.610   27.133   70.220   28.018 -1.609276 39.00304 
1 1 1  -20   23    1 o  171.663   8.5691   80.213   7.9296   72.997   10.879   88.392   11.582  163.425   12.319  179.901   11.915 -16.47565 17.13823 
1 1 1  -20   23    2 o   72.835   15.227   14.628   7.0316   22.834   9.6441   5.3137   10.274   88.829   20.507   56.841   22.514 31.98883 30.45330 
1 1 1  -20   23    3 o  160.596   9.2652   70.785   8.0146   67.488   11.632   73.766   11.059  156.925   13.717  164.266   12.459 -7.340530 18.53046 
1 1 1  -20   23    4 o   89.977   14.975   22.800   7.6440   34.183   11.089   12.495   10.551  111.038   18.482   68.915   23.567 42.12309 29.94930 
1 1 1  -20   23    5 o  183.330   12.064   91.828   11.951   91.828   11.951   0.0000   0.0000  183.330   12.064  ?   ?       ?      ? 
1 1 1  -20   23    6 o   80.607   15.722   18.691   7.2135   13.780   10.145   23.713   10.259   70.856   23.085   90.357   21.350 -19.50109 31.44471 
1 1 1  -20   23    7 o  163.960   8.9834   73.528   7.9545   77.133   11.375   70.080   11.127  167.917   12.537  160.003   12.870 7.914352 17.96688 
1 1 1  -20   23    8 o  131.279   11.668   49.500   7.6651   32.836   10.837   66.187   10.844  107.092   19.442  155.467   12.908 -48.37555 23.33685 
1 1 1  -20   23    9 o  150.518   9.8097   62.207   7.9724   62.598   11.078   61.788   11.482  151.059   13.571  149.977   14.168 1.081894 19.61931 
1 1 1  -20   23   10 o  152.750   13.836   64.072   11.421   64.072   11.421   0.0000   0.0000  152.750   13.836  ?   ?       ?      ? 
1 1 1  -20   23   11 o   76.881   15.786   16.740   7.3455   9.1389   10.490   24.053   10.289   62.932   23.279   90.830   21.328 -27.89797 31.57235 
1 1 1  -20   23   12 o  184.708   14.555   97.429   11.270   92.748   25.648   98.550   12.546  179.709   26.412  189.707   12.239 -9.998291 29.10964 
1 1 1  -20   23   13 o  242.685   13.717  168.668   17.448  143.198   26.816  187.365   22.976  225.223   22.034  260.148   16.344 -34.92583 27.43412 
1 1 1  -20   23   14 o  148.238   19.854   68.226   14.439   54.707   24.721   75.225   17.789  132.705   34.244  163.770   20.101 -31.06503 39.70814 
1 1 1  -20   23   15 o   85.075   21.439   12.386   13.096   36.441   21.901  -1.0025   16.339  109.349   33.716   60.802   26.493 48.54737 42.87894 
1 1 1  -20   23   16 o   50.901   14.973  -0.7081   7.3487   8.1004   10.521  -9.0999   10.269   61.157   23.169   40.645   18.972 20.51189 29.94598 
1 1 1  -20   23   17 o  169.507   8.9342   78.896   8.1498   78.646   12.070   79.106   11.048  169.135   13.207  169.878   12.036 -0.7422791 17.86849 
1 1 1  -20   23   18 o  283.734   7.0299  220.551   10.733  207.851   15.612  231.935   14.780  275.801   10.475  291.667   9.3780 -15.86615 14.05985 
1 1 1  -20   23   19 o  141.459   10.256   55.349   7.8223   54.358   11.384   56.235   10.766  140.142   15.033  142.777   13.954 -2.635452 20.51169 
1 1 1  -20   23   20 o   88.555   15.522   23.393   7.4018   20.610   11.035   25.670   9.9800   83.467   23.480   93.643   20.308 -10.17578 31.04360 
1 1 1  -20   23   21 o   49.181   14.682  -0.1036   6.9805   5.8785   9.9435  -5.9165   9.8019   56.407   22.210   41.956   19.208 14.45119 29.36362 
1 1 1  -20   23   22 o   72.937   15.460   14.601   6.9468   22.877   10.262   7.6005   9.4386   87.693   21.759   58.181   21.968 29.51205 30.92020 
1 1 1  -20   23   23 o  138.520   10.563   52.314   7.7958   66.421   11.929   41.799   10.299  154.663   14.274  122.378   15.575 32.28513 21.12602 
1 1 1  -20   23   24 o   85.878   15.440   21.969   7.1780   23.602   10.445   20.508   9.8810   88.861   21.895   82.895   21.777 5.965492 30.88040 
1 1 1  -20   23   25 o   62.033   15.182   7.5159   7.0852   18.633   10.293  -2.4960   9.7677   79.006   22.827   45.060   20.023 33.94614 30.36404 
1 1 1  -20   23   26 o   98.122   19.631   28.373   10.045   0.0000   0.0000   28.373   10.045  ?   ?    98.122   19.631      ?      ? 
1 1 1  -20   23   27 o   68.733   15.394   11.806   7.0783   22.722   10.568   2.9250   9.5321   86.598   22.412   50.869   21.109 35.72920 30.78777 
1 1 1  -20   23   28 o  154.130   9.3685   65.768   7.7251   69.171   11.904   63.292   10.153  157.277   14.007  150.983   12.445 6.293747 18.73700 
1 1 1  -20   23   29 o  110.869   13.025   36.461   7.4397   30.617   11.100   41.228   10.025  100.825   21.052  120.914   15.343 -20.08985 26.05029 
1 1 1  -20   23   30 o   80.548   14.972   20.238   7.0335   10.872   10.467   27.949   9.4975   64.007   23.322   97.089   18.782 -33.08260 29.94433 
1 1 1  -20   23   31 o  162.170   9.0079   74.005   7.8286   66.065   11.356   81.196   10.807  153.402   13.700  170.937   11.700 -17.53436 18.01578 
1 1 1  -20   23   32 o   66.038   15.938   12.402   7.0244   7.9969   10.043   16.621   9.8287   58.422   22.513   73.654   22.566 -15.23174 31.87578 
1 1 1  -20   23   33 f   83.774   15.472   21.905   7.0697   20.086   10.765   23.286   9.3749   80.180   23.396   87.368   20.253 -7.187294 30.94390 
1 1 1  -20   23   34 o   55.413   15.480   6.3938   6.8632   8.1011   9.9634   4.8522   9.4676   58.238   22.429   52.587   21.342 5.650921 30.96065 
1 1 1  -20   23   35 o  104.781   13.874   33.362   7.6062   29.738   11.259   36.404   10.316   97.564   21.894  111.998   17.046 -14.43401 27.74747 
1 1 1  -20   23   36 o   64.085   16.201   11.762   7.3165   7.1442   11.030   15.390   9.7772   57.773   23.179   70.397   22.640 -12.62429 32.40157 
1 1 1  -20   23   37 o   69.505   15.886   13.412   7.2242   23.599   11.097   5.9191   9.5170   85.392   23.369   53.619   21.525 31.77288 31.77158 
1 1 1  -20   23   38 o  126.627   11.391   47.476   7.5696   42.359   11.755   51.101   9.8939  119.424   18.216  133.830   13.681 -14.40572 22.78128 
1 1 1  -20   23   39 o  138.897   10.701   55.664   7.9005   55.818   12.303   55.557   10.306  138.240   16.470  139.555   13.667 -1.314682 21.40198 
1 1 1  -20   23   40 o  105.455   13.827   34.459   7.5795   32.671   11.629   35.780   9.9941  100.838   21.963  110.072   16.803 -9.233727 27.65330 
1 1 1  -20   23   41 o   67.796   16.834   14.658   7.6096   14.227   11.612   14.983   10.074   67.330   24.560   68.263   23.029 -0.9325333 33.66782 
1 1 1  -20   23   42 o   52.382   15.424   4.9148   7.3012   1.5627   11.326   7.2982   9.5504   50.090   21.935   54.673   21.690 -4.583496 30.84794 
1 1 1  -20   23   43 o   53.864   15.521   6.7758   7.2461   3.1118   10.946   9.6340   9.6677   50.272   21.795   57.456   22.103 -7.184437 31.04148 
1 1 1  -20   23   44 o  135.959   11.304   56.174   8.0998   50.465   12.427   60.392   10.680  128.115   17.950  143.803   13.745 -15.68777 22.60806 
1 1 1  -20   23   45 o   85.369   19.910   28.342   10.970   20.261   19.989   31.824   13.122   75.572   30.880   95.166   25.142 -19.59428 39.82059 
1 1 1  -20   23   46 o   52.430   17.246  -6.1445   11.078   9.1959   19.044 -13.9910   13.620   63.404   28.076   41.456   20.034 21.94752 34.49143 
1 1 1  -20   23   47 o  121.693   18.854   60.275   12.045   64.189   16.387   55.676   17.765  130.292   24.165  113.094   28.947 17.19806 37.70794 
1 1 1  -20   23   48 o   54.334   16.985   3.6335   10.228   13.135   14.497  -5.7838   14.432   62.273   25.953   46.396   21.917 15.87708 33.96929 
1 1 1  -20   23   49 o   65.662   18.816   18.193   10.440   20.822   14.758   15.559   14.772   68.699   27.055   62.625   26.157 6.073830 37.63197 
1 1 1  -20   24    1 o  146.033   9.5590   58.657   7.5345   55.227   10.616   62.138   10.695  141.664   13.868  150.402   13.160 -8.738388 19.11804 
1 1 1  -20   24    2 o  119.830   11.661   39.814   7.5489   39.733   10.798   39.891   10.558  119.673   16.698  119.987   16.283 -0.3141556 23.32287 
1 1 1  -20   24    3 o  217.984   7.7248  128.943   9.0223  107.251   12.257  154.597   13.329  197.990   11.456  237.978   10.365 -39.98770 15.44953 
1 1 1  -20   24    5 o  254.840   9.9526  177.148   13.705   0.0000   0.0000  177.148   13.705  ?   ?   254.840   9.9526      ?      ? 
1 1 1  -20   24    6 o  145.736   10.037   58.855   7.7885   71.258   11.135   46.975   10.898  161.124   12.789  130.349   15.472 30.77484 20.07367 
1 1 1  -20   24    7 o   47.638   14.582  -0.7053   6.9157  -1.8823   9.6439   0.5406   9.9225   45.879   20.162   49.397   21.072 -3.518047 29.16399 
1 1 1  -20   24    8 o   69.238   16.287   13.012   7.2283   16.026   10.099   9.8471   10.350   74.747   22.870   63.729   23.196 11.01861 32.57429 
1 1 1  -20   24    9 o  304.265   7.1653  253.041   11.764  240.679   16.780  264.989   16.496  296.845   10.461  311.684   9.7946 -14.83902 14.33066 
1 1 1  -20   24   10 o   80.318   22.185   11.937   15.104  -9.0405   24.977   24.032   18.965   68.739   31.156   91.897   31.590 -23.15799 44.36907 
1 1 1  -20   24   11 o   92.298   23.262   23.737   14.318   19.831   24.671   25.721   17.581   91.045   35.230   93.550   30.386 -2.504700 46.52380 
1 1 1  -20   24   12 f   88.926   23.178   15.966   13.951   35.450   25.617   7.7500   16.635  108.143   36.722   69.708   28.290 38.43527 46.35518 
1 1 1  -20   24   13 o  120.234   22.486   46.544   14.585   36.577   25.652   51.306   17.730  109.235   36.748  131.232   25.922 -21.99654 44.97121 
1 1 1  -20   24   14 o  116.223   19.251   38.348   9.9564   43.108   22.970   37.247   11.048  117.041   34.183  115.405   17.716 1.636116 38.50108 
1 1 1  -20   24   15 o   42.536   14.480 -20.7505   8.5273 -27.5452   10.233  -5.3131   15.425   30.029   15.025   55.043   24.758 -25.01452 28.96010 
1 1 1  -20   24   16 o  167.968   19.039   79.640   17.280   0.0000   0.0000   79.640   17.280  ?   ?   167.968   19.039      ?      ? 
1 1 1  -20   24   17 o  185.504   8.6537   94.832   8.6685   91.425   12.311   98.182   12.208  182.118   12.510  188.890   11.960 -6.771301 17.30742 
1 1 1  -20   24   18 o  188.465   11.586   97.691   11.799   0.0000   0.0000   97.691   11.799  ?   ?   188.465   11.586      ?      ? 
1 1 1  -20   24   19 o  259.565   7.2113  184.437   10.066  186.631   15.023  182.650   13.560  260.794   10.661  258.335   9.7140 2.459076 14.42263 
1 1 1  -20   24   20 o  112.199   12.967   35.933   7.6780   39.754   11.189   32.533   10.555  118.784   17.432  105.614   19.203 13.16982 25.93489 
1 1 1  -20   24   21 o   98.749   14.344   28.722   7.5191   22.727   10.725   34.518   10.545   86.942   22.614  110.556   17.651 -23.61430 28.68722 
1 1 1  -20   24   22 o  121.431   11.727   41.666   7.6533   39.249   11.196   43.786   10.486  117.810   17.587  125.052   15.517 -7.241936 23.45391 
1 1 1  -20   24   23 o   67.492   15.998   12.407   7.0319   17.221   10.258   8.1397   9.6578   75.985   23.007   58.998   22.235 16.98697 31.99596 
1 1 1  -20   24   24 o  105.579   13.170   32.485   7.2802   31.092   10.882   33.613   9.7950  102.173   20.424  108.986   16.632 -6.812981 26.33958 
1 1 1  -20   24   25 o  186.338   8.4018   97.422   8.3364   86.706   12.434  106.171   11.236  176.435   13.042  196.241   10.595 -19.80550 16.80350 
1 1 1  -20   24   26 o   87.578   14.778   22.943   7.0539   31.499   10.353   15.530   9.6365  103.082   19.296   72.075   22.388 31.00723 29.55619 
1 1 1  -20   24   27 o  114.157   12.543   38.573   7.3534   31.219   10.814   44.897   10.029  102.021   20.330  126.293   14.695 -24.27261 25.08519 
1 1 1  -20   24   28 o  171.568   8.6662   81.786   8.0153   85.238   11.833   78.859   10.896  174.787   12.528  168.348   11.977 6.438507 17.33242 
1 1 1  -20   24   29 o   81.580   15.536   20.336   7.2812   28.156   10.501   13.095   10.105   96.072   20.828   67.087   23.059 28.98495 31.07269 
1 1 1  -20   24   30 o  114.786   12.443   38.792   7.4506   34.961   10.957   42.086   10.161  107.977   19.497  121.595   15.465 -13.61841 24.88547 
1 1 1  -20   24   31 o   98.592   14.051   30.252   7.2674   21.038   10.744   38.024   9.8674   81.864   23.217  115.320   15.835 -33.45614 28.10284 
1 1 1  -20   24   32 o   97.520   14.661   29.273   7.4959   33.116   10.711   25.584   10.494  104.491   19.692   90.550   21.725 13.94060 29.32143 
1 1 1  -20   24   33 o  224.256   7.5596  140.214   9.1230  136.939   13.427  143.022   12.434  221.488   11.219  227.024   10.136 -5.536407 15.11915 
1 1 1  -20   24   34 o   94.688   14.509   29.055   7.4856   16.556   11.089   39.518   10.146   72.557   24.160  116.819   16.073 -44.26241 29.01837 
1 1 1  -20   24   35 o  103.850   14.718   35.602   7.9906   21.046   12.010   47.163   10.703   80.029   25.015  127.671   15.515 -47.64159 29.43582 
1 1 1  -20   24   36 o  157.475   9.8618   70.437   8.3377   74.851   12.660   67.056   11.080  161.447   14.512  153.504   13.358 7.943161 19.72357 
1 1 1  -20   24   37 o   40.928   13.450  -6.8440   7.2763 -13.2266   11.464  -2.5387   9.4158   39.062   18.751   42.794   19.287 -3.731758 26.89928 
1 1 1  -20   24   38 o  103.420   14.527   33.819   7.8166   31.228   12.132   35.657   10.220   97.339   23.363  109.501   17.273 -12.16187 29.05476 
1 1 1  -20   24   39 o  140.524   11.560   60.750   8.3175   45.066   12.631   72.758   11.052  121.489   19.241  159.559   12.818 -38.06971 23.11937 
1 1 1  -20   24   40 o  174.075   9.2148   86.941   8.5848   88.414   13.101   85.832   11.365  174.658   13.881  173.491   12.122 1.167694 18.42957 
1 1 1  -20   24   41 o   61.149   14.542   7.7572   7.5286 -10.4934   10.985   23.922   10.338   38.709   18.521   83.590   22.424 -44.88090 29.08379 
1 1 1  -20   24   42 o  180.414   9.2048   93.944   8.8106   96.372   13.879   92.305   11.403  181.227   14.173  179.600   11.749 1.626373 18.40958 
1 1 1  -20   24   43 o  144.661   17.245   65.298   12.635   90.113   22.443   53.784   15.287  162.267   25.595  127.054   23.118 35.21346 34.49023 
1 1 1  -20   24   44 o   49.508   16.778 -13.2096   11.534   2.2131   20.344 -20.5158   14.002   59.905   27.516   39.112   19.206 20.79308 33.55634 
1 1 1  -20   24   46 o   41.731   14.350 -18.1586   10.504  -3.4212   14.774 -33.2207   14.936   48.252   22.599   35.210   17.692 13.04161 28.70010 
1 1 1  -20   24   47 f   57.377   17.704   8.7344   10.647   1.4232   15.218   15.745   14.902   51.136   23.601   63.617   26.396 -12.48123 35.40861 
1 1 1  -20   24   48 o   43.188   14.479  -9.0997   8.2807   9.2770   14.500 -17.9941   10.088   55.207   24.470   31.168   15.485 24.03925 28.95830 
1 1 1  -20   25    1 o  198.926   7.9891  108.648   8.5772  102.753   12.147  114.510   12.113  193.452   11.620  204.399   10.967 -10.94666 15.97820 
1 1 1  -20   25    2 o   80.780   15.500   18.853   7.1631   12.378   9.8271   26.194   10.463   67.261   22.745   94.300   21.065 -27.03915 31.00078 
1 1 1  -20   25    3 o  150.692   13.752   62.741   11.198   0.0000   0.0000   62.741   11.198  ?   ?   150.692   13.752      ?      ? 
1 1 1  -20   25    4 o   77.357   16.718   17.464   7.6386   18.042   10.849   16.896   10.757   78.447   23.639   76.266   23.648 2.181061 33.43689 
1 1 1  -20   25    5 o  101.372   13.840   29.758   7.3964   33.573   10.312   25.716   10.615  109.473   17.432   93.271   21.502 16.20251 27.68010 
1 1 1  -20   25    7 o  137.699   22.375   60.527   16.155   52.928   25.352   65.721   20.961  127.922   35.450  147.477   27.308 -19.55531 44.74900 
1 1 1  -20   25    8 o  197.984   17.835  122.420   17.119   82.252   26.143  152.568   22.649  163.073   30.797  232.895   17.997 -69.82156 35.67013 
1 1 1  -20   25    9 o  193.106   18.015  116.134   16.971   77.635   25.487  146.802   22.748  158.079   30.945  228.133   18.453 -70.05400 36.02945 
1 1 1  -20   25   10 o  114.448   17.932   35.087   9.7351   29.792   11.233   51.059   19.510  100.356   21.370  128.540   28.803 -28.18484 35.86464 
1 1 1  -20   25   11 o  146.828   9.8937   59.825   7.8423   57.960   11.211   61.612   10.974  144.485   14.359  149.170   13.614 -4.684952 19.78745 
1 1 1  -20   25   12 o  204.916   7.9441  115.514   8.7790  106.964   12.387  124.142   12.444  197.167   11.627  212.665   10.828 -15.49774 15.88811 
1 1 1  -20   25   13 o  226.595   7.6629  141.169   9.3577  137.982   13.650  143.994   12.853  224.030   11.276  229.160   10.380 -5.130325 15.32586 
1 1 1  -20   25   14 o   87.916   20.354   22.885   9.5593   17.590   24.108   23.873   10.413   86.424   34.406   89.408   21.759 -2.983521 40.70889 
1 1 1  -20   25   15 o  200.327   14.826  134.157   11.587   86.036   25.405  146.797   13.020  169.351   27.761  231.304   10.417 -61.95267 29.65128 
1 1 1  -20   25   16 o   52.690   16.549  -4.2894   8.3201  -7.6770   9.6835   5.2635   16.261   39.918   18.563   65.463   27.402 -25.54502 33.09739 
1 1 1  -20   25   17 o  201.550   16.835  114.437   18.335   0.0000   0.0000  114.437   18.335  ?   ?   201.550   16.835      ?      ? 
1 1 1  -20   25   18 o  109.978   13.800   34.732   7.8686   47.352   11.791   24.597   10.566  129.538   16.844   90.418   21.865 39.12072 27.60075 
1 1 1  -20   25   19 o  150.290   10.167   62.981   8.2484   66.656   11.970   59.658   11.383  154.469   14.340  146.111   14.417 8.358261 20.33427 
1 1 1  -20   25   20 o  120.898   11.761   41.679   7.6174   46.661   10.627   36.414   10.925  128.820   15.266  112.976   17.895 15.84406 23.52214 
1 1 1  -20   25   21 o   60.580   15.896   8.7315   7.1336   12.879   9.9402   4.3268   10.244   67.227   22.875   53.933   22.080 13.29379 31.79260 
1 1 1  -20   25   22 f   50.892   15.190   2.0292   7.2018  -0.0412   10.186   4.0985   10.183   48.321   20.987   53.463   21.966 -5.141338 30.38016 
1 1 1  -20   25   23 o   71.110   14.435   13.863   6.7365   2.7094   9.4317   25.478   9.6250   50.067   20.906   92.154   19.910 -42.08625 28.86964 
1 1 1  -20   25   24 o   97.775   14.244   27.776   7.4098   38.444   11.255   19.616   9.8442  115.562   18.024   79.988   22.060 35.57422 28.48721 
1 1 1  -20   25   25 o  233.112   9.7893  149.844   12.331   0.0000   0.0000  149.844   12.331  ?   ?   233.112   9.7893      ?      ? 
1 1 1  -20   25   26 o  104.687   13.850   33.750   7.4617   25.589   11.223   40.214   9.9890   90.525   22.921  118.849   15.554 -28.32458 27.69998 
1 1 1  -20   25   27 o  154.940   9.7166   67.481   8.1180   69.644   11.942   65.623   11.068  157.092   14.069  152.788   13.406 4.303146 19.43327 
1 1 1  -20   25   28 o  107.394   13.512   35.547   7.4074   24.281   10.779   45.627   10.196   88.083   22.550  126.705   14.892 -38.62171 27.02415 
1 1 1  -20   25   29 o  124.878   11.610   45.578   7.7019   38.373   11.240   51.956   10.575  114.566   18.156  135.191   14.476 -20.62409 23.22031 
1 1 1  -20   25   30 o   52.435   15.247   4.5036   6.9541   3.6271   9.9834   5.3297   9.6922   51.520   21.510   53.350   21.614 -1.829941 30.49336 
1 1 1  -20   25   31 o  129.512   11.265   48.458   7.8755   51.518   11.267   45.534   11.013  133.685   15.596  125.340   16.260 8.345306 22.53096 
1 1 1  -20   25   32 o  103.760   14.297   34.421   7.6721   24.589   11.551   42.181   10.263   86.840   23.875  120.680   15.738 -33.84019 28.59488 
1 1 1  -20   25   33 o  117.965   12.293   40.872   7.7920   42.195   11.717   39.823   10.433  119.208   18.190  116.722   16.542 2.486740 24.58660 
1 1 1  -20   25   34 o  179.503   9.1629   91.452   8.8416   90.927   13.154   91.884   11.941  178.577   13.632  180.428   12.248 -1.850967 18.32586 
1 1 1  -20   25   35 o   71.238   16.672   16.143   7.4112   17.400   11.345   15.208   9.7883   73.233   24.440   69.244   22.682 3.989532 33.34344 
1 1 1  -20   25   36 o   90.658   21.939   26.735   10.632   0.0000   0.0000   26.735   10.632  ?   ?    90.658   21.939      ?      ? 
1 1 1  -20   25   37 o   70.585   16.714   14.776   7.9060   24.797   12.032   7.1615   10.488   85.313   24.689   55.858   22.535 29.45456 33.42730 
1 1 1  -20   25   38 o   73.569   17.218   17.917   8.0486   24.029   12.196   13.202   10.713   82.669   25.098   64.468   23.578 18.20091 34.43608 
1 1 1  -20   25   39 o  225.283   10.524  143.957   12.812   0.0000   0.0000  143.957   12.812  ?   ?   225.283   10.524      ?      ? 
1 1 1  -20   25   40 o  111.253   18.352   38.201   11.033   0.0000   0.0000   38.201   11.033  ?   ?   111.253   18.352      ?      ? 
1 1 1  -20   25   41 o  286.321   14.756   68.842   11.275  711.937   45.540   26.846   11.637  484.375   17.399   88.267   23.839 396.1081 29.51288 
1 1 1  -20   25   42 o   84.848   33.841   33.333   23.363   33.333   23.363   0.0000   0.0000   84.848   33.841  ?   ?       ?      ? 
1 1 1  -20   25   44 o   49.154   16.384  -4.2132   11.155  -5.3739   14.727  -2.6509   17.086   46.936   22.162   51.371   24.137 -4.435295 32.76845 
1 1 1  -20   25   45 o   58.609   17.468   6.4985   11.030   23.536   14.889 -14.2252   16.421   73.289   27.611   43.929   21.406 29.35971 34.93681 
1 1 1  -20   25   46 o   38.427   13.154 -10.1867   8.1389  -5.0179   12.664 -13.8235   10.623   42.641   20.257   34.213   16.786 8.427433 26.30813 
1 1 1  -20   26    1 o   84.637   15.255   21.945   7.1875   27.566   9.6723   15.012   10.741   96.984   19.136   72.290   23.764 24.69404 30.51063 
1 1 1  -20   26    2 o  158.880   9.1792   69.838   7.8689   69.285   10.819   70.460   11.466  158.309   12.647  159.452   13.307 -1.143127 18.35832 
1 1 1  -20   26    3 o   74.824   20.065   14.518   9.9190   1.1236   24.884   17.049   10.815   73.579   32.359   76.068   23.732 -2.489159 40.12928 
1 1 1  -20   26    4 o  199.128   16.636  114.540   17.742  124.910   27.348  107.005   23.313  206.170   24.548  192.087   22.460 14.08327 33.27240 
1 1 1  -20   26    5 o  152.347   21.205   79.939   16.863   37.860   25.835  111.171   22.258  108.046   36.877  196.648   20.947 -88.60151 42.41081 
1 1 1  -20   26    6 o  212.991   15.641  135.349   17.141  114.595   27.372  148.739   21.986  196.589   25.767  229.393   17.737 -32.80371 31.28123 
1 1 1  -20   26    7 o  158.521   13.387   67.189   10.278   62.159   11.933   81.644   20.230  149.281   14.793  167.762   22.316 -18.48106 26.77400 
1 1 1  -20   26    8 o  217.423   11.565  130.279   13.588   0.0000   0.0000  130.279   13.588  ?   ?   217.423   11.565      ?      ? 
1 1 1  -20   26    9 o   52.891   22.531   1.5201   11.315   0.0000   0.0000   1.5201   11.315  ?   ?    52.891   22.531      ?      ? 
1 1 1  -20   26   10 f   72.333   15.441   14.194   7.4377   25.082   10.440   2.9715   10.599   91.476   21.487   53.191   22.181 38.28466 30.88181 
1 1 1  -20   26   11 o   50.602   14.729  -0.2782   7.2559   9.4949   10.081 -10.7819   10.451   61.832   22.832   39.373   18.615 22.45848 29.45884 
1 1 1  -20   26   12 o   45.392   14.246  -3.5847   7.2119   2.0151   10.041  -9.5525   10.365   50.746   21.402   40.037   18.808 10.70929 28.49199 
1 1 1  -20   26   13 o  235.710   10.600  152.958   13.501   0.0000   0.0000  152.958   13.501  ?   ?   235.710   10.600      ?      ? 
1 1 1  -20   26   14 o   66.553   16.576   11.880   7.5775   15.915   10.652   7.7458   10.781   73.326   23.637   59.780   23.245 13.54607 33.15162 
1 1 1  -20   26   15 o   86.792   18.270   26.722   10.229  -4.9144   23.688   33.973   11.340   66.834   30.312  106.751   20.403 -39.91626 36.53940 
1 1 1  -20   26   16 o   95.110   20.449   30.372   10.332   17.374   26.461   32.710   11.222   85.689   35.331  104.532   20.600 -18.84386 40.89812 
1 1 1  -20   26   17 o   65.861   18.422   7.9399   8.4818   5.5977   9.7000   15.547   17.482   54.714   21.811   77.007   29.695 -22.29253 36.84441 
1 1 1  -20   26   18 o  183.790   11.677   95.061   10.357   93.904   12.166   98.108   19.745  183.820   12.248  183.760   19.885 0.6028748E-01 23.35379 
1 1 1  -20   26   19 o   84.974   14.935   21.745   7.1623   12.596   9.8814   31.872   10.396   66.419   22.804  103.529   19.293 -37.11067 29.87060 
1 1 1  -20   26   20 o  162.984   12.971   74.281   11.424   0.0000   0.0000   74.281   11.424  ?   ?   162.984   12.971      ?      ? 
1 1 1  -20   26   21 o   58.821   16.086   8.0053   7.2799   6.9693   10.629   8.9208   9.9914   57.768   22.893   59.873   22.604 -2.105495 32.17188 
1 1 1  -20   26   22 o  162.343   9.5154   74.607   8.2437   70.012   12.431   78.215   11.014  157.279   14.627  167.408   12.175 -10.12944 19.03083 
1 1 1  -20   26   23 o   79.302   15.542   18.928   7.1231   12.410   9.6657   26.675   10.538   65.492   22.550   93.112   21.393 -27.62022 31.08323 
1 1 1  -20   26   24 o   70.043   15.891   14.021   7.2367   21.771   10.482   6.9616   10.003   83.443   22.661   56.642   22.285 26.80077 31.78250 
1 1 1  -20   26   25 o   56.856   15.604   7.4966   6.8540   7.3450   9.9501   7.6335   9.4549   56.973   22.282   56.739   21.850 0.2337494 31.20744 
1 1 1  -20   26   26 o   51.535   14.933   2.2145   6.9572   10.047   10.431  -4.0622   9.3375   61.587   23.128   41.482   18.898 20.10459 29.86691 
1 1 1  -20   26   27 o   61.788   15.836   9.0024   7.4348   17.736   10.635   0.6532   10.398   74.922   23.560   48.655   21.168 26.26683 31.67232 
1 1 1  -20   26   28 o   55.599   15.694   6.3845   7.2214   3.1984   10.436   9.3112   10.003   51.587   21.792   59.611   22.589 -8.024349 31.38726 
1 1 1  -20   26   29 o  203.147   8.1764  115.000   8.9110  122.894   13.596  109.055   11.799  208.888   12.045  197.406   11.061 11.48157 16.35288 
1 1 1  -20   26   30 o  171.247   9.2596   83.135   8.5595   87.023   12.455   79.655   11.782  174.984   13.173  167.509   13.017 7.474670 18.51922 
1 1 1  -20   26   31 o  121.234   12.331   43.053   8.0300   49.875   11.788   37.148   10.968  130.557   16.710  111.912   18.137 18.64442 24.66105 
1 1 1  -20   26   32 o  136.660   11.040   54.431   8.1278   51.007   11.658   57.668   11.338  132.006   16.343  141.314   14.848 -9.307846 22.08058 
1 1 1  -20   26   33 o  152.182   10.465   67.300   8.5782   66.796   12.603   67.736   11.709  151.192   15.426  153.173   14.147 -1.980362 20.93055 
1 1 1  -20   26   34 o   96.034   15.826   29.827   7.9859   32.592   12.324   27.825   10.485   99.181   23.377   92.887   21.339 6.293877 31.65161 
1 1 1  -20   26   35 o  152.305   10.718   68.057   8.7251   67.843   13.299   68.219   11.561  151.171   16.280  153.439   13.944 -2.267502 21.43532 
1 1 1  -20   26   36 o   42.089   13.791  -7.4353   7.8021 -16.7907   11.129   1.6063   10.941   35.451   17.349   48.728   21.443 -13.27721 27.58255 
1 1 1  -20   26   37 o  110.637   14.754   39.516   8.4389   44.971   12.919   35.457   11.145  117.035   21.209  104.239   20.517 12.79601 29.50879 
1 1 1  -20   26   38 o   83.943   16.860   23.653   8.3495   34.403   12.536   15.082   11.194  100.488   23.504   67.398   24.179 33.08989 33.72067 
1 1 1  -20   26   39 o   60.377   18.701   0.4720   10.149   22.658   20.647  -6.5969   11.655   77.735   31.528   43.018   20.123 34.71690 37.40298 
1 1 1  -20   26   42 f   51.980   16.811   0.9050   10.742   5.8874   14.657  -4.8761   15.788   55.265   24.544   48.694   22.978 6.571533 33.62160 
1 1 1  -20   26   43 f   58.455   17.132   11.648   8.9887   7.7432   14.319   14.188   11.547   55.309   24.426   61.601   24.028 -6.291275 34.26324 
1 1 1  -20   26   44 o   68.818   17.325   20.184   8.2595   17.033   12.420   22.682   11.060   63.628   24.891   74.009   24.104 -10.38025 34.64913 
1 1 1  -20   27    1 o  124.900   22.574   56.362   17.227   24.302   28.646   74.527   21.562   92.805   37.313  156.995   25.417 -64.18920 45.14707 
1 1 1  -20   27    2 o   80.449   23.708   9.3503   16.104   27.432   28.880   1.1908   19.400   95.621   37.786   65.276   28.643 30.34511 47.41553 
1 1 1  -20   27    3 o  109.432   23.056   41.560   17.636   5.2950   28.638   63.716   22.385   78.670   34.653  140.193   30.422 -61.52277 46.11251 
1 1 1  -20   27    4 o  116.157   19.140   33.735   9.8412   27.327   10.898   62.050   22.908   94.876   21.725  137.438   31.517 -42.56177 38.27971 
1 1 1  -20   27    5 o  225.134   11.102  140.064   13.506  140.064   13.506   0.0000   0.0000  225.134   11.102  ?   ?       ?      ? 
1 1 1  -20   27    6 o   45.161   13.997  -3.3501   7.0166   4.2281   9.5262 -12.3366   10.374   52.425   21.358   37.898   18.096 14.52676 27.99336 
1 1 1  -20   27    7 o  184.658   8.5110   94.696   8.4831   99.081   11.946   90.236   12.048  189.112   11.690  180.205   12.373 8.907028 17.02192 
1 1 1  -20   27    8 o  120.568   11.879   41.158   7.6965   35.613   10.546   47.477   11.258  111.669   17.477  129.467   16.093 -17.79807 23.75719 
1 1 1  -20   27    9 o  120.775   11.864   41.408   7.7325   38.723   10.680   44.365   11.210  116.606   16.950  124.943   16.603 -8.337151 23.72717 
1 1 1  -20   27   10 o  192.186   8.6356  102.728   8.9514   95.534   12.646  109.951   12.673  185.251   12.633  199.122   11.778 -13.87064 17.27129 
1 1 1  -20   27   11 o  157.659   9.8150   69.792   8.3249   62.227   11.729   77.471   11.818  148.734   14.594  166.584   13.128 -17.84941 19.63000 
1 1 1  -20   27   12 f   62.812   15.641   9.2209   7.2028   17.777   10.330   1.1239   10.049   76.353   23.080   49.270   21.117 27.08239 31.28245 
1 1 1  -20   27   13 o  101.273   13.597   30.052   7.2011   20.143   9.7366   42.017   10.699   81.072   21.767  121.473   16.300 -40.40087 27.19340 
1 1 1  -20   27   14 o   82.401   15.332   20.891   7.4293   30.702   10.431   10.792   10.583  101.111   19.801   63.692   23.414 37.41853 30.66409 
1 1 1  -20   27   15 o  182.007   12.491   92.525   12.285   0.0000   0.0000   92.525   12.285  ?   ?   182.007   12.491      ?      ? 
1 1 1  -20   27   16 o  150.463   19.748   83.226   11.397   55.315   26.877   89.344   12.584  122.403   37.280  178.524   13.045 -56.12096 39.49685 
1 1 1  -20   27   17 o   86.088   21.251   22.411   10.400   23.491   25.039   22.186   11.433   88.203   35.080   83.973   23.998 4.229866 42.50277 
1 1 1  -20   27   18 o   64.439   17.846   2.9678   8.4533  -3.8155   9.7350   23.761   17.044   42.928   19.455   85.951   29.924 -43.02324 35.69250 
1 1 1  -20   27   19 o   54.626   16.806  -0.5712   8.2218  -3.8786   9.5632   8.7995   16.097   42.416   19.246   66.837   27.557 -24.42083 33.61273 
1 1 1  -20   27   20 o  119.823   11.648   41.296   7.5368   41.322   10.472   41.269   10.855  120.003   16.150  119.644   16.790 0.3583298 23.29656 
1 1 1  -20   27   21 o   73.904   15.758   16.362   7.6604   5.2769   11.113   26.396   10.574   55.742   22.930   92.066   21.623 -36.32400 31.51685 
1 1 1  -20   27   22 o  187.174   8.8931   98.108   8.9707  104.122   13.294   93.080   12.156  192.291   12.794  182.057   12.356 10.23363 17.78626 
1 1 1  -20   27   23 o  132.617   10.924   50.519   7.7867   44.131   10.834   57.346   11.200  123.536   16.229  141.699   14.627 -18.16262 21.84783 
1 1 1  -20   27   24 o   55.870   15.733   5.7139   7.3442   11.501   10.778   0.6980   10.034   63.875   23.603   47.866   20.810 16.00918 31.46673 
1 1 1  -20   27   25 o   93.192   15.411   27.508   7.6209   28.126   10.896   26.918   10.663   94.219   21.830   92.165   21.758 2.053749 30.82151 
1 1 1  -20   27   26 o   68.372   16.166   14.559   7.1750   10.751   10.639   17.735   9.7175   62.211   23.359   74.533   22.353 -12.32205 32.33102 
1 1 1  -20   27   27 o  116.137   12.364   39.607   7.7215   41.364   11.586   38.202   10.357  118.063   18.160  114.211   16.782 3.852493 24.72716 
1 1 1  -20   27   28 o   58.670   16.244   8.0822   7.6147   11.854   10.831   4.3965   10.707   64.084   23.665   53.255   22.259 10.82941 32.48856 
1 1 1  -20   27   29 o   88.594   15.718   25.348   7.5178   27.240   10.798   23.568   10.473   91.990   22.016   85.198   22.438 6.791458 31.43515 
1 1 1  -20   27   30 o  121.565   12.734   44.562   8.0666   53.873   11.777   36.335   11.071  135.276   16.112  107.853   19.723 27.42281 25.46742 
1 1 1  -20   27   31 o   67.833   16.804   14.562   7.6838   17.451   10.903   11.712   10.830   72.692   23.945   62.973   23.583 9.719101 33.60814 
1 1 1  -20   27   32 o   68.946   15.869   14.801   7.6548   4.1116   11.256   23.997   10.441   52.808   22.484   85.083   22.401 -32.27462 31.73825 
1 1 1  -20   27   33 o   49.214   14.868  -0.8764   7.9369 -14.2938   11.585   10.993   10.896   37.794   18.316   60.633   23.426 -22.83954 29.73641 
1 1 1  -20   27   34 o  124.822   13.745   47.185   8.6378   72.074   13.685   30.702   11.137  154.283   16.415   95.362   22.052 58.92133 27.49048 
1 1 1  -20   27   35 f  103.407   16.330   36.054   8.8719   38.174   13.120   34.269   12.042  105.865   23.544  100.948   22.635 4.916733 32.65974 
1 1 1  -20   27   36 o  119.601   19.533   44.643   12.624   44.643   12.624   0.0000   0.0000  119.601   19.533  ?   ?       ?      ? 
1 1 1  -20   27   37 o   40.770   20.105 -24.3919   15.884   0.0000   0.0000 -24.3919   15.884  ?   ?    40.770   20.105      ?      ? 
1 1 1  -20   27   40 o   45.074   15.331 -11.1429   11.078  -5.4144   14.491 -19.1982   17.184   46.667   22.020   43.481   21.337 3.185608 30.66144 
1 1 1  -20   27   41 o   50.367   15.621   5.5127   8.1513   5.2391   11.524   5.7866   11.531   50.079   22.023   50.654   22.159 -0.5752792 31.24125 
1 1 1  -20   28    1 o   51.715   14.977   1.2548   7.0075  -5.4505   9.1937   10.551   10.825   40.067   18.439   63.362   23.607 -23.29560 29.95448 
1 1 1  -20   28    2 o   65.267   15.326   10.802   7.3296   20.984   10.044  -0.7982   10.721   82.294   22.113   48.240   21.227 34.05478 30.65246 
1 1 1  -20   28    3 f   81.001   15.628   20.355   7.0551   22.191   9.8453   18.417   10.115   84.843   21.460   77.160   22.726 7.682587 31.25672 
1 1 1  -20   28    4 o   53.054   15.166   4.9569   6.7405   4.1179   9.6453   5.7578   9.4236   52.060   21.382   54.048   21.513 -1.987705 30.33156 
1 1 1  -20   28    5 o   76.165   13.090   13.454   6.7601  -1.3537   8.8386   34.326   10.494   43.390   19.175  108.940   17.826 -65.54962 26.18075 
1 1 1  -20   28    7 o   37.595   12.615 -11.1745   7.0227  -6.2100   9.7023 -16.6378   10.178   40.657   18.792   34.534   16.833 6.123188 25.22928 
1 1 1  -20   28    8 o   46.530   14.099  -2.7043   7.0808   7.0827   9.6636 -14.0506   10.405   56.438   21.990   36.623   17.652 19.81538 28.19849 
1 1 1  -20   28    9 o  180.857   9.2871   92.634   8.9743  105.214   12.485   79.188   12.908  194.286   11.892  167.429   14.268 26.85756 18.57410 
1 1 1  -20   28   10 o   43.230   13.955  -6.1815   7.2995 -10.9682   9.7838  -0.1717   10.963   37.095   17.674   49.365   21.600 -12.27018 27.90903 
1 1 1  -20   28   11 o  151.875   14.769   65.410   12.121   0.0000   0.0000   65.410   12.121  ?   ?   151.875   14.769      ?      ? 
1 1 1  -20   28   12 o   95.383   14.615   27.279   7.2409   24.166   9.4332   31.744   11.297   89.021   20.087  101.746   21.234 -12.72498 29.23015 
1 1 1  -20   28   13 o   96.953   14.939   29.365   7.8419   38.420   10.856   19.482   11.340  115.192   17.440   78.714   24.260 36.47794 29.87785 
1 1 1  -20   28   14 o   43.197   13.887  -4.3201   7.0338  -6.2077   9.3855  -1.9017   10.624   39.723   18.404   46.671   20.801 -6.947773 27.77406 
1 1 1  -20   28   15 o  132.360   11.328   50.184   8.0658   57.027   11.744   44.074   11.097  141.177   15.394  123.542   16.623 17.63494 22.65617 
1 1 1  -20   28   16 o  125.823   12.264   45.928   8.3120   51.134   12.074   41.239   11.460  132.848   16.819  118.797   17.852 14.05109 24.52728 
1 1 1  -20   28   17 o  158.546   18.785   93.610   11.639   59.032   25.020  103.159   13.148  125.709   35.353  191.383   12.714 -65.67374 37.56911 
1 1 1  -20   28   18 o  195.955   14.664  120.730   12.139  105.495   26.158  124.911   13.704  180.954   26.752  210.956   12.022 -30.00224 29.32894 
1 1 1  -20   28   19 o  158.484   12.962   70.286   10.423   63.373   12.502   86.036   18.872  148.239   15.608  168.729   20.699 -20.48949 25.92355 
1 1 1  -20   28   20 o   51.847   16.540  -1.7803   9.1737  -1.8957   11.070  -1.5273   16.390   47.139   21.105   56.554   25.471 -9.414932 33.07916 
1 1 1  -20   28   21 o  147.945   10.514   63.190   8.3723   67.852   11.688   58.277   11.998  154.058   14.041  141.831   15.655 12.22688 21.02884 
1 1 1  -20   28   22 o  161.546   9.9122   73.830   8.6048   84.195   12.971   65.684   11.499  171.578   13.990  151.514   14.045 20.06410 19.82431 
1 1 1  -20   28   23 o  109.379   14.012   36.215   8.0672   42.581   11.940   30.868   10.943  119.619   18.472   99.140   21.076 20.47858 28.02481 
1 1 1  -20   28   24 o  101.342   14.317   31.800   7.6878   20.047   10.562   45.044   11.212   78.668   23.237  124.016   16.731 -45.34795 28.63336 
1 1 1  -20   28   25 o   77.090   16.008   17.689   7.7885   30.785   11.736   7.3826   10.411   97.567   22.690   56.613   22.588 40.95361 32.01615 
1 1 1  -20   28   26 o  135.082   11.104   53.192   8.0777   56.377   12.037   50.582   10.896  138.487   16.085  131.677   15.313 6.809875 22.20794 
1 1 1  -20   28   27 f  148.093   10.582   64.382   8.3246   51.575   11.738   77.340   11.808  132.028   16.453  164.157   13.311 -32.12935 21.16347 
1 1 1  -20   28   28 o   56.224   16.054   7.1766   7.5519   5.4656   10.492   9.0161   10.878   53.557   22.179   58.891   23.217 -5.334324 32.10824 
1 1 1  -20   28   29 o   67.882   17.223   15.062   8.0365   14.518   11.525   15.577   11.212   67.051   24.466   68.713   24.246 -1.661491 34.44529 
1 1 1  -20   28   30 o   78.828   17.265   22.039   8.1418   24.006   11.486   20.052   11.543   82.422   24.200   75.234   24.630 7.187935 34.52976 
1 1 1  -20   28   31 o   74.447   17.494   19.599   8.2057   21.173   12.106   18.262   11.161   76.701   25.229   72.192   24.240 4.508957 34.98709 
1 1 1  -20   28   32 o  100.192   16.347   34.083   8.7023   38.662   12.421   29.668   12.196  108.013   22.028   92.371   24.159 15.64191 32.69355 
1 1 1  -20   28   33 o  199.935   11.272  105.992   11.482   75.338   13.866  172.838   20.477  158.766   16.163  241.105   15.717 -82.33902 22.54472 
1 1 1  -20   28   34 o   46.068   15.420  -9.4303   10.011 -13.6487   13.157  -3.6306   15.427   41.122   19.828   51.014   23.621 -9.892120 30.83962 
1 1 1  -20   28   35 o   46.325   22.498 -13.7905   17.725   0.0000   0.0000 -13.7905   17.725  ?   ?    46.325   22.498      ?      ? 
1 1 1  -20   28   38 o   73.309   17.157   20.472   8.4040   30.457   12.372   11.918   11.451   87.893   24.910   58.726   23.598 29.16708 34.31310 
1 1 1  -20   28   39 o   53.842   16.018   7.7445   8.3655   16.360   11.985  -0.4406   11.682   63.045   24.510   44.639   20.629 18.40634 32.03576 
1 1 1  -20   29    1 o   81.235   16.112   20.808   7.3156   20.027   9.7407   21.820   11.080   79.831   21.914   82.640   23.626 -2.808693 32.22464 
1 1 1  -20   29    2 o   76.743   16.311   18.593   7.3090   18.811   10.155   18.358   10.528   77.226   22.778   76.261   23.354 0.9652786 32.62233 
1 1 1  -20   29    3 o   99.601   14.049   30.513   7.3877   40.954   10.515   20.336   10.382  119.072   16.343   80.130   22.856 38.94204 28.09802 
1 1 1  -20   29    4 o  137.570   10.823   54.636   7.9631   58.128   10.780   50.441   11.814  143.117   13.940  132.023   16.559 11.09357 21.64546 
1 1 1  -20   29    5 o   41.901   13.535  -7.5430   7.0019 -14.6963   9.2913   1.8588   10.652   33.207   16.164   50.595   21.714 -17.38834 27.06993 
1 1 1  -20   29    6 o  117.026   12.283   39.789   7.7540   37.344   10.611   42.591   11.359  113.193   17.348  120.860   17.392 -7.667717 24.56530 
1 1 1  -20   29    7 o  177.766   8.9218   89.059   8.5541   90.948   11.828   86.988   12.386  179.999   12.161  175.534   13.058 4.464600 17.84358 
1 1 1  -20   29    8 o   84.580   15.157   21.288   7.4380   10.462   9.8838   35.426   11.295   61.584   22.629  107.576   20.171 -45.99208 30.31395 
1 1 1  -20   29    9 o   77.293   16.567   18.653   7.5006   15.774   9.9663   22.414   11.391   71.188   22.854   83.397   23.989 -12.20969 33.13311 
1 1 1  -20   29   10 o  162.758   9.8107   74.486   8.5779   65.211   11.498   86.126   12.881  151.350   14.059  174.167   13.687 -22.81694 19.62134 
1 1 1  -20   29   11 o  118.113   12.793   41.862   7.8689   46.310   10.804   36.837   11.484  126.645   15.787  109.582   20.136 17.06291 25.58691 
1 1 1  -20   29   12 o   64.111   15.874   11.190   6.9780   6.1761   9.3117   17.612   10.538   53.787   21.392   74.434   23.460 -20.64696 31.74875 
1 1 1  -20   29   13 o  157.177   9.9855   70.542   8.4791   68.602   11.943   72.513   12.040  154.911   14.268  159.444   13.974 -4.533051 19.97106 
1 1 1  -20   29   14 o  130.717   12.855   51.517   8.2100   30.026   11.183   76.645   12.092   97.398   21.792  164.035   13.642 -66.63699 25.70995 
1 1 1  -20   29   15 o   90.844   15.848   26.660   7.7159   28.207   10.280   24.663   11.677   94.946   20.626   86.742   24.067 8.203842 31.69615 
1 1 1  -20   29   16 o  160.048   9.9867   73.238   8.5888   72.411   11.536   74.268   12.865  159.493   13.385  160.602   14.825 -1.108841 19.97332 
1 1 1  -20   29   17 o   61.884   15.752   8.1052   7.8713  -4.4951   11.247   20.200   11.020   44.990   20.589   78.778   23.844 -33.78843 31.50304 
1 1 1  -20   29   18 o  102.722   16.967   46.501   10.768  -7.5991   26.211   57.484   11.810   64.528   30.183  140.915   15.510 -76.38703 33.93489 
1 1 1  -20   29   19 o   73.605   20.485   15.280   10.379   16.784   23.431   14.913   11.577   77.791   32.745   69.419   24.622 8.371765 40.96964 
1 1 1  -20   29   20 o  106.739   17.991   32.796   9.2337   26.311   10.645   52.500   18.556   90.506   21.985  122.971   28.484 -32.46535 35.98133 
1 1 1  -20   29   21 o   48.055   15.891  -6.0247   9.2440  -5.0803   10.844  -8.5360   17.683   43.307   19.965   52.804   24.728 -9.497009 31.78168 
1 1 1  -20   29   22 o   89.603   16.316   26.527   8.0254   31.584   11.544   21.796   11.165   98.567   22.206   80.639   23.910 17.92861 32.63102 
1 1 1  -20   29   23 o   40.136   13.272  -7.2011   7.2278  -3.9090   9.7819 -11.1599   10.727   41.892   19.183   38.379   18.346 3.513317 26.54359 
1 1 1  -20   29   24 o   99.234   15.995   32.311   8.4062   28.404   11.710   36.465   12.075   92.206   23.448  106.261   21.762 -14.05554 31.99033 
1 1 1  -20   29   25 o   69.119   16.760   15.538   7.6410   11.929   10.516   19.574   11.121   62.523   23.273   75.715   24.125 -13.19196 33.52052 
1 1 1  -20   29   26 o  166.559   10.153   81.579   9.1334   78.119   12.718   85.264   13.125  162.824   14.455  170.295   14.262 -7.470261 20.30681 
1 1 1  -20   29   27 o   42.427   14.026  -6.5585   8.0467  -2.5378   11.433 -10.5056   11.328   45.484   20.794   39.370   18.830 6.113865 28.05271 
1 1 1  -20   29   28 o   62.156   16.359   10.538   7.9420   2.0717   11.027   19.663   11.448   49.456   21.651   74.857   24.530 -25.40122 32.71824 
1 1 1  -20   29   29 o   68.274   18.794   11.878   9.5619   5.3043   11.542   26.261   17.073   54.009   22.871   82.538   29.830 -28.52967 37.58866 
1 1 1  -20   29   30 o   82.103   19.878   25.268   10.684   27.207   14.184   22.725   16.245   85.950   27.230   78.255   28.966 7.695229 39.75526 
1 1 1  -20   29   31 o  188.343   12.759  111.881   12.682  125.518   17.134   95.360   18.859  204.464   15.508  172.222   20.264 32.24251 25.51752 
1 1 1  -20   29   32 o   53.611   17.188   3.5304   10.572  -0.3842   13.756   9.1802   16.525   48.658   22.451   58.565   26.033 -9.906147 34.37643 
1 1 1  -20   29   34 o   39.237   19.552 -28.5586   16.575   0.0000   0.0000 -28.5586   16.575  ?   ?    39.237   19.552      ?      ? 
1 1 1  -20   29   35 o   62.019   19.428   11.084   14.288 -14.2162   25.993   22.038   17.104   53.411   26.216   70.627   28.678 -17.21535 38.85508 
1 1 1  -20   29   36 o   45.441   14.297  -3.1786   7.9127   12.169   11.357 -17.6561   11.031   57.629   23.380   33.253   16.464 24.37510 28.59499 
1 1 1  -20   30    1 o  124.603   11.545   44.899   7.7145   42.226   10.192   48.484   11.805  120.685   15.628  128.521   16.998 -7.836235 23.09069 
1 1 1  -20   30    2 o  196.554   8.5741  108.772   9.0983  103.521   12.564  114.562   13.193  191.568   12.137  201.540   12.114 -9.972717 17.14822 
1 1 1  -20   30    3 o   71.190   16.930   15.975   7.6645   15.428   10.276   16.660   11.506   70.020   23.255   72.361   24.610 -2.341354 33.85979 
1 1 1  -20   30    4 o   72.706   16.589   16.840   7.3926   16.524   9.9481   17.230   11.048   72.081   22.801   73.330   24.101 -1.248550 33.17713 
1 1 1  -20   30    5 f   75.194   15.681   18.559   7.0252   22.315   9.0487   12.861   11.146   84.455   20.115   65.933   24.060 18.52118 31.36120 
1 1 1  -20   30    6 o   58.397   15.539   7.5675   6.7678   2.7594   8.7032   14.922   10.764   47.571   19.987   69.223   23.799 -21.65186 31.07832 
1 1 1  -20   30    7 o   51.404   15.312   2.4255   7.3942  -2.1416   10.041   7.8364   10.929   44.628   20.032   58.180   23.164 -13.55157 30.62494 
1 1 1  -20   30    8 o   66.151   14.060   7.7941   7.8090   28.346   10.705 -15.5789   11.416   94.691   21.422   37.611   18.216 57.07967 28.12029 
1 1 1  -20   30    9 f  120.338   13.248   43.419   8.2096   32.477   11.198   56.134   12.071  101.776   21.056  138.900   16.083 -37.12428 26.49534 
1 1 1  -20   30   10 o   94.344   15.471   28.018   7.6225   26.631   9.8519   30.086   12.032   92.348   20.296   96.340   23.354 -3.991875 30.94135 
1 1 1  -20   30   11 o   55.146   15.933   5.6835   7.6469   8.7691   10.418   2.0798   11.259   58.873   22.862   51.419   22.198 7.453815 31.86603 
1 1 1  -20   30   12 o  122.087   12.691   46.476   7.7131   56.522   10.332   33.830   11.592  140.698   13.590  103.475   21.437 37.22352 25.38157 
1 1 1  -20   30   13 o   92.097   15.855   27.393   7.7934   27.126   10.547   27.714   11.567   92.136   21.565   92.059   23.248 0.7753754E-01 31.70949 
1 1 1  -20   30   14 o  103.920   14.483   33.476   7.9410   22.089   10.759   47.100   11.769   81.872   23.239  125.968   17.290 -44.09634 28.96535 
1 1 1  -20   30   15 o   81.747   16.415   22.736   7.8357   27.315   10.282   16.394   12.101   92.373   21.067   71.121   25.179 21.25216 32.82995 
1 1 1  -20   30   16 o  152.007   10.464   67.865   8.4830   76.563   11.721   58.298   12.293  163.395   13.275  140.619   16.178 22.77568 20.92729 
1 1 1  -20   30   17 o   90.335   14.953   26.830   7.7344   38.085   10.739   14.699   11.149  112.726   17.630   67.945   24.156 44.78127 29.90529 
1 1 1  -20   30   18 o  132.823   11.894   52.884   8.4337   59.054   11.641   46.070   12.235  142.191   15.151  123.456   18.340 18.73499 23.78889 
1 1 1  -20   30   19 o   87.927   22.313   18.630   10.737   56.689   26.646   11.252   11.732  113.159   37.440   62.694   24.284 50.46432 44.62610 
1 1 1  -20   30   20 o   86.530   22.117   24.605   10.843   40.766   26.481   21.350   11.885   94.662   36.535   78.397   24.935 16.26422 44.23340 
1 1 1  -20   30   21 o   94.023   19.238   27.917   9.9062   18.564   11.779   50.518   18.310   72.824   24.900  115.222   29.332 -42.39723 38.47586 
1 1 1  -20   30   22 o   68.177   16.638   16.167   9.3144   25.341   10.766 -11.1261   18.571   85.679   22.839   50.675   24.201 35.00376 33.27629 
1 1 1  -20   30   23 o   95.222   16.802   31.539   8.6195   32.192   12.103   30.868   12.279   96.575   23.431   93.869   24.087 2.705811 33.60361 
1 1 1  -20   30   24 o   58.815   17.338   7.7745   8.5868   6.1355   10.349   11.396   15.384   53.365   22.058   64.265   26.755 -10.90088 34.67535 
1 1 1  -20   30   25 f   89.092   19.122   26.969   10.475   15.477   13.536   44.122   16.538   68.536   26.204  109.648   27.856 -41.11223 38.24430 
1 1 1  -20   30   26 o   66.629   18.815   11.916   10.263   5.2523   13.269   21.838   16.191   56.128   24.165   77.131   28.844 -21.00220 37.62907 
1 1 1  -20   30   27 o   69.534   18.613   13.550   10.056   3.3108   12.955   29.077   15.952   53.168   23.366   85.900   28.979 -32.73181 37.22612 
1 1 1  -20   30   28 o   68.003   18.832   17.637   10.774   24.572   14.002   7.5721   16.869   77.467   27.114   58.539   26.142 18.92776 37.66434 
1 1 1  -20   30   29 o   66.272   18.969   18.680   10.520   18.757   13.927   18.579   16.053   66.697   26.277   65.847   27.365 0.8497925 37.93868 
1 1 1  -20   30   30 o   46.009   15.029  -2.0339   8.8612  -6.5766   12.963   1.9513   12.141   43.364   20.569   48.653   21.917 -5.289349 30.05738 
1 1 1  -20   30   31 o   81.339   22.373   33.048   14.709   25.586   25.082   36.959   18.159   73.345   32.363   89.333   30.900 -15.98841 44.74523 
1 1 1  -20   30   32 o   48.477   16.611 -12.2733   13.907 -29.4820   21.805  -0.4736   18.056   44.585   22.250   52.370   24.670 -7.784794 33.22189 
1 1 1  -20   30   33 o   61.174   19.624   14.812   13.779   13.423   24.386   15.464   16.700   60.980   28.709   61.368   26.761 -0.3881187 39.24723 
1 1 1  -20   31    1 o  156.321   10.230   70.485   8.5864   67.487   11.424   74.377   13.018  152.993   13.818  159.649   15.090 -6.655472 20.46094 
1 1 1  -20   31    2 o   79.769   16.151   21.373   7.7215   28.159   10.539   13.507   11.346   93.454   21.338   66.083   24.250 27.37099 32.30151 
1 1 1  -20   31    3 o  130.775   12.010   50.593   8.4583   45.539   11.510   56.528   12.472  123.531   17.243  138.019   16.722 -14.48875 24.01976 
1 1 1  -20   31    4 o   52.970   15.642   3.3454   7.6630  -2.2350   10.279   10.328   11.498   44.531   20.103   61.409   23.970 -16.87711 31.28413 
1 1 1  -20   31    5 o  169.291   9.9647   82.604   9.1023   78.280   12.474   87.530   13.312  164.619   14.022  173.962   14.162 -9.343155 19.92946 
1 1 1  -20   31    6 o   55.412   15.693   5.9911   7.6036   12.371   10.347  -1.4989   11.211   63.760   23.194   47.065   21.144 16.69501 31.38547 
1 1 1  -20   31    7 o  131.001   17.068   51.117   12.082   0.0000   0.0000   51.117   12.082  ?   ?   131.001   17.068      ?      ? 
1 1 1  -20   31    8 o   58.004   15.866   7.6154   7.4450   1.1503   10.262   14.798   10.817   48.000   20.953   68.008   23.830 -20.00832 31.73184 
1 1 1  -20   31    9 o   74.592   15.321   15.536   7.5129   3.4897   9.8900   31.973   11.552   50.092   21.190   99.091   22.134 -48.99889 30.64161 
1 1 1  -20   31   10 o   73.347   17.017   17.744   7.7761   15.665   10.492   20.279   11.584   69.354   23.501   77.341   24.619 -7.987564 34.03490 
1 1 1  -20   31   11 o   33.009   11.545 -19.5161   7.3175 -19.4150   9.4243 -19.6696   11.612   30.564   15.147   35.454   17.427 -4.890652 23.08968 
1 1 1  -20   31   12 o   55.065   16.000   6.2137   7.6534   3.5233   10.333   9.4829   11.391   50.534   21.529   59.596   23.674 -9.062054 31.99925 
1 1 1  -20   31   13 o   55.319   16.056   6.6139   7.7204   3.8219   10.555   9.8264   11.322   50.978   21.740   59.660   23.633 -8.681908 32.11101 
1 1 1  -20   31   14 o  131.954   11.737   53.183   8.1725   64.196   11.463   41.798   11.655  147.783   14.354  116.125   18.574 31.65810 23.47402 
1 1 1  -20   31   15 o   37.577   12.781 -11.6363   7.6275  -8.9592   10.145 -15.1169   11.568   37.951   18.059   37.202   18.092 0.7490158 25.56232 
1 1 1  -20   31   16 o   57.570   16.262   7.5859   8.1798  -0.6858   11.632   15.677   11.505   47.463   21.410   67.677   24.482 -20.21346 32.52347 
1 1 1  -20   31   17 o   66.492   18.156   12.960   9.2847   6.8146   11.958   22.288   14.733   55.826   23.441   77.158   27.733 -21.33172 36.31195 
1 1 1  -20   31   18 o   66.886   18.280   14.299   9.0544   13.571   11.124   15.730   15.586   64.711   23.966   69.062   27.609 -4.350395 36.55953 
1 1 1  -20   31   19 o   51.772   16.116  -0.6383   9.6586   9.4482   12.077 -18.5383   16.089   59.597   24.134   43.947   21.364 15.65012 32.23101 
1 1 1  -20   31   20 o  139.396   22.525   63.378   16.967   0.0000   0.0000   63.378   16.967  ?   ?   139.396   22.525      ?      ? 
1 1 1  -20   31   21 o   90.185   30.090   31.847   17.198   0.0000   0.0000   31.847   17.198  ?   ?    90.185   30.090      ?      ? 
1 1 1  -20   31   22 o   44.191   20.604  -5.7455   12.056  -5.7455   12.056   0.0000   0.0000   44.191   20.604  ?   ?       ?      ? 
1 1 1  -20   31   23 o   99.131   26.209   37.005   14.253   37.005   14.253   0.0000   0.0000   99.131   26.209  ?   ?       ?      ? 
1 1 1  -20   31   24 f   80.432   19.482   26.719   9.9243   21.973   12.466   34.932   16.400   73.429   25.590   87.435   29.383 -14.00617 38.96465 
1 1 1  -20   31   25 o   46.605   15.064  -3.2365   9.1414 -16.9189   13.210   9.3371   12.663   37.703   18.543   55.507   23.745 -17.80376 30.12736 
1 1 1  -20   31   26 o  145.901   16.315   66.751   12.863   0.0000   0.0000   66.751   12.863  ?   ?   145.901   16.315      ?      ? 
1 1 1  -20   31   27 o   52.136   15.874   4.6786   8.1875  -0.3683   10.975   11.013   12.295   45.334   20.589   58.938   24.167 -13.60440 31.74767 
1 1 1  -20   31   28 o   64.660   19.720   12.102   11.094   31.824   21.817   5.2237   12.885   77.168   31.972   52.152   23.094 25.01653 39.44013 
1 1 1  -20   31   29 o   61.116   19.906   13.537   14.954   16.570   23.757   11.547   19.245   63.020   29.226   59.212   27.035 3.807343 39.81296 
1 1 1  -20   32    1 o   38.643   18.642 -12.9772   11.668   0.0000   0.0000 -12.9772   11.668  ?   ?    38.643   18.642      ?      ? 
1 1 1  -20   32    2 o   54.517   15.984   5.8649   7.6499   2.4091   9.9106   10.959   12.033   47.894   20.751   61.140   24.317 -13.24536 31.96797 
1 1 1  -20   32    3 o   45.704   14.586  -1.4786   7.7432   1.9313   10.179  -6.1631   11.930   47.795   20.865   43.612   20.388 4.182858 29.17254 
1 1 1  -20   32    4 o   39.935   13.330  -8.1110   7.2179 -11.2689   9.1744  -2.9812   11.693   34.176   16.498   45.695   20.942 -11.51950 26.66010 
1 1 1  -20   32    5 o   50.689   15.769  -1.0431   8.3764  -8.1777   10.652   10.516   13.559   39.654   18.762   61.724   25.351 -22.07042 31.53897 
1 1 1  -20   32    6 o   41.038   13.812  -9.4737   8.2904  -7.3025   10.623 -12.8559   13.259   40.257   18.952   41.819   20.098 -1.561375 27.62446 
1 1 1  -20   32    7 o   36.514   12.688 -18.9913   8.2377 -23.4639   10.658 -12.3559   12.982   31.399   15.651   41.630   19.975 -10.23062 25.37678 
1 1 1  -20   32    8 o   40.915   13.653 -14.7762   8.8453   0.9696   11.310 -39.5721   14.193   48.809   21.624   33.020   16.674 15.78896 27.30596 
1 1 1  -20   32    9 o   48.605   15.736  -5.6498   9.9764   4.8288   12.929 -21.0698   15.684   55.100   23.788   42.111   20.606 12.98989 31.47151 
1 1 1  -20   32   10 o   51.766   22.765   2.2838   12.314   2.2838   12.314   0.0000   0.0000   51.766   22.765  ?   ?       ?      ? 
1 1 1  -20   32   11 o   70.608   18.916   16.390   9.9525   11.998   13.351   21.885   14.932   63.853   25.543   77.363   27.906 -13.51074 37.83106 
1 1 1  -20   32   12 f   73.094   18.599   18.733   9.5317   21.754   12.653   14.768   14.493   78.206   25.797   67.982   26.799 10.22434 37.19742 
1 1 1  -20   32   13 o  112.975   17.479   45.927   10.751   59.189   14.485   29.662   16.042  137.787   19.455   88.163   29.045 49.62421 34.95824 
1 1 1  -20   32   14 o   83.609   19.610   24.990   10.313   19.236   13.435   33.243   16.092   73.876   26.491   93.342   28.921 -19.46594 39.21951 
1 1 1  -20   32   15 o  102.061   18.751   38.093   10.453   40.270   14.011   35.360   15.696  107.544   24.639   96.578   28.271 10.96582 37.50115 
1 1 1  -20   32   16 o   82.767   18.897   26.452   10.467   35.045   13.859   15.045   15.968   97.973   25.817   67.562   27.603 30.41095 37.79424 
1 1 1  -20   32   17 o  124.471   17.233   55.913   11.186   61.104   14.957   49.324   16.852  136.408   20.291  112.533   27.861 23.87554 34.46697 
1 1 1  -20   32   18 o   47.782   15.465  -0.3985   8.9747   4.0383   13.274  -4.1348   12.181   51.768   23.149   43.796   20.514 7.971272 30.93081 
1 1 1  -20   32   19 o   43.111   14.357  -4.4429   8.6588  -2.2815   11.703  -7.0575   12.871   43.878   20.405   42.345   20.202 1.532734 28.71357 
1 1 1  -20   32   20 o   44.215   14.397  -1.0993   7.9254   0.2870   10.490  -2.9432   12.098   44.358   20.139   44.071   20.578 0.2876358 28.79321 
1 1 1  -20   32   21 o   45.900   15.641  -8.6264   10.774 -22.7252   21.698  -4.0128   12.412   47.359   23.382   44.442   20.782 2.917027 31.28240 
1 1 1  -20   32   22 o   56.588   17.261   7.1865   10.467 -16.4369   21.502   14.523   11.983   49.654   24.261   63.522   24.560 -13.86773 34.52244 
1 1 1  -20   32   23 o   51.069   16.697  -2.0176   9.6286  -7.8647   11.394   12.586   18.007   39.966   19.051   62.171   27.427 -22.20501 33.39423 
1 1 1  -20   32   24 o   68.624   19.360   20.193   10.206   18.776   11.943   24.032   19.651   67.616   24.870   69.631   29.678 -2.014412 38.72086 
1 1 1  -20   32   25 o   57.898   18.438   9.6423   10.729   20.045   21.348   6.1270   12.410   64.622   29.091   51.174   22.662 13.44845 36.87609 
1 1 1  -20   33    1 o   61.657   17.487   12.749   8.6845   12.119   10.952   13.815   14.254   60.100   23.412   63.214   25.982 -3.114384 34.97416 
1 1 1  -20   33    2 o   35.249   12.362 -20.9594   8.7003 -17.8761   10.994 -26.1261   14.232   33.947   16.738   36.550   18.198 -2.603233 24.72480 
1 1 1  -20   33    3 o   72.713   18.395   20.990   9.3572   23.784   12.098   16.831   14.762   78.520   25.177   66.907   26.826 11.61309 36.79016 
1 1 1  -20   33    4 o   64.793   16.949   13.505   9.5465   25.901   12.331  -5.0405   15.082   81.730   25.315   47.857   22.545 33.87289 33.89900 
1 1 1  -20   33    5 o   69.393   18.474   17.534   9.2637   12.293   11.731   26.216   15.098   60.327   24.006   78.459   28.088 -18.13202 36.94872 
1 1 1  -20   33    6 o   76.312   18.092   22.834   9.0371   30.360   13.266   16.316   12.345   87.018   26.122   65.605   25.039 21.41292 36.18401 
1 1 1  -20   33    7 o   55.028   16.394   7.9068   8.6679   1.1696   12.859   13.518   11.735   48.771   22.202   61.284   24.128 -12.51342 32.78873 
1 1 1  -20   33    8 o   45.758   14.914  -1.0660   8.5851   1.0135   11.740  -3.4564   12.587   46.936   21.308   44.581   20.873 2.355942 29.82761 
1 1 1  -20   33    9 o   59.756   17.002   12.072   8.5567   6.6096   11.521   18.794   12.779   51.940   22.439   67.573   25.551 -15.63297 34.00479 
1 1 1  -20   33   10 o  149.143   16.439   71.112   13.248   0.0000   0.0000   71.112   13.248  ?   ?   149.143   16.439      ?      ? 
1 1 1  -20   33   11 o   48.797   15.337   3.4510   8.0787   0.8999   10.871   6.5975   12.073   45.343   20.553   52.250   22.770 -6.906818 30.67403 
1 1 1  -20   33   12 o   47.146   15.031   0.6447   8.1584  -4.4753   11.015   6.8675   12.143   41.346   19.412   52.946   22.955 -11.59913 30.06230 
1 1 1  -20   33   13 o   50.632   15.606   4.8080   7.9560   3.9177   10.545   5.9847   12.122   48.667   21.242   52.597   22.869 -3.929623 31.21267 
1 1 1  -20   33   14 o   50.807   15.521   3.9217   7.8161  -0.7620   10.298   10.287   12.005   43.822   19.918   57.793   23.809 -13.97163 31.04204 
1 1 1  -20   33   15 o   67.809   16.250   13.461   8.0182   1.8321   10.417   30.367   12.560   46.622   20.699   88.997   25.055 -42.37465 32.49956 
1 1 1  -20   33   16 o   89.991   17.062   29.926   8.3492   27.338   10.797   33.775   13.168   86.582   22.773   93.400   25.413 -6.817535 34.12378 
1 1 1  -20   33   17 f   70.222   16.837   19.318   8.0927   25.101   10.911   12.246   12.066   81.070   23.525   59.374   24.094 21.69610 33.67453 
1 1 1  -20   33   18 o   52.251   15.937   7.0134   8.1157   5.5676   10.735   8.9419   12.398   49.760   21.578   54.743   23.459 -4.983002 31.87374 
1 1 1  -20   33   19 o   81.243   16.120   25.484   8.7121   9.2488   11.977   43.726   12.696   54.248   23.147  108.238   22.443 -53.98958 32.24087 
1 1 1  -20   33   20 o   39.788   13.422 -10.2790   8.2377 -22.0241   11.345   2.8169   11.980   31.947   15.960   47.629   21.584 -15.68204 26.84340 
1 1 1  -20   34    1 o   74.112   17.104   22.004   7.8605   22.322   10.293   21.559   12.175   76.118   23.046   72.105   25.280 4.012871 34.20864 
1 1 1  -20   34    2 o   67.056   16.847   16.196   7.7279   10.096   9.8824   25.797   12.398   55.215   22.014   78.897   25.508 -23.68230 33.69334 
1 1 1  -20   34    3 o   60.063   16.423   12.183   7.6213   7.1903   9.9267   19.352   11.895   51.210   21.420   68.916   24.899 -17.70583 32.84539 
1 1 1  -20   34    4 f   45.608   14.649  -2.5461   8.1054 -11.5726   10.808   9.0539   12.253   36.185   17.572   55.030   23.444 -18.84441 29.29858 
1 1 1  -20   34    5 o   53.933   16.340   8.2750   8.4480   8.2064   11.148   8.3675   12.948   53.259   22.512   54.606   23.689 -1.346867 32.67938 
1 1 1  -20   34    6 o   52.103   15.930   6.9582   8.0925   6.5079   10.400   7.6495   12.885   50.519   21.562   53.687   23.456 -3.168652 31.86077 
1 1 1  -20   34    7 o   64.298   17.306   16.660   8.4953   20.052   11.655   12.815   12.409   69.599   24.703   58.998   24.244 10.60113 34.61293 
1 1 1  -20   34    8 o   68.805   17.548   19.292   8.4159   14.580   11.255   25.268   12.675   61.168   23.760   76.441   25.831 -15.27360 35.09662 
1 1 1  -20   34    9 o   46.532   15.028  -0.6981   8.6242  -8.6886   11.774   8.5524   12.668   39.182   18.858   53.882   23.403 -14.70041 30.05563 
1 1 1  -20   34   10 o   54.207   16.302   8.6176   8.3373   4.2724   11.007   14.466   12.770   48.068   21.312   60.346   24.673 -12.27770 32.60323 
1 1 1  -20   34   11 f   55.823   16.269   10.556   8.2366   15.640   11.282   4.7533   12.052   62.178   23.888   49.467   22.094 12.71109 32.53863 
1 1 1  -19    0    1 o  159.771   3.8769   69.225   4.7209   69.225   4.7209   69.225   4.7209  159.771   5.4828  159.771   5.4828 0.000000 0.000000 
1 1 1  -19    0    2 o  266.904   4.2512  192.808   8.6610  192.808   8.6610  192.808   8.6610  266.904   6.0121  266.904   6.0121 0.000000 0.000000 
1 1 1  -19    0    3 o  601.724   7.5332  979.859   34.616  979.859   34.616  979.859   34.616  601.724   10.654  601.724   10.654 0.000000 0.000000 
1 1 1  -19    0    4 o  287.278   4.4093  223.347   9.6697  223.347   9.6697  223.347   9.6697  287.278   6.2357  287.278   6.2357 0.000000 0.000000 
1 1 1  -19    0    5 o  271.934   4.2978  200.139   8.9211  200.139   8.9211  200.139   8.9211  271.934   6.0780  271.934   6.0780 0.000000 0.000000 
1 1 1  -19    0    6 o  317.245   4.6796  272.350   11.334  272.350   11.334  272.350   11.334  317.245   6.6179  317.245   6.6179 0.000000 0.000000 
1 1 1  -19    0    7 o  1091.02   13.100  3225.22  109.152  3225.22  109.152  3225.22  109.152  1091.02   18.526  1091.02   18.526 0.000000 0.000000 
1 1 1  -19    0    8 o  1270.56   21.572  4391.89  209.185  4391.89  209.185  4391.89  209.185  1270.56   30.508  1270.56   30.508 0.000000 0.000000 
1 1 1  -19    0   11 o  600.170   7.5961  974.731   34.814  974.731   34.814  974.731   34.814  600.170   10.743  600.170   10.743 0.000000 0.000000 
1 1 1  -19    0   12 o   53.289   9.9387   9.1083   3.4967   9.1083   3.4967   9.1083   3.4967   53.289   14.055   53.289   14.055 0.000000 0.000000 
1 1 1  -19    0   13 o   83.115   6.2197   19.291   3.8493   19.291   3.8493   19.291   3.8493   83.115   8.7960   83.115   8.7960 0.000000 0.000000 
1 1 1  -19    0   14 o  555.406   7.0934  834.676   30.085  834.676   30.085  834.676   30.085  555.406   10.032  555.406   10.032 0.000000 0.000000 
1 1 1  -19    0   15 o  596.019   7.5372  961.226   34.305  961.226   34.305  961.226   34.305  596.019   10.659  596.019   10.659 0.000000 0.000000 
1 1 1  -19    0   16 o  224.660   4.4329  136.710   7.5971  136.710   7.5971  136.710   7.5971  224.660   6.2690  224.660   6.2690 0.000000 0.000000 
1 1 1  -19    0   17 o  1643.34   19.564  7325.89  245.536  7325.89  245.536  7325.89  245.536  1643.34   27.668  1643.34   27.668 0.000000 0.000000 
1 1 1  -19    0   18 o  659.390   8.2499  1176.47   41.542  1176.47   41.542  1176.47   41.542  659.390   11.667  659.390   11.667 0.000000 0.000000 
1 1 1  -19    0   19 o  321.501   4.9930  279.727   12.254  279.727   12.254  279.727   12.254  321.501   7.0611  321.501   7.0611 0.000000 0.000000 
1 1 1  -19    0   20 o  254.497   4.7964  175.398   9.3133  175.398   9.3133  175.398   9.3133  254.497   6.7831  254.497   6.7831 0.000000 0.000000 
1 1 1  -19    0   21 o  815.579   10.009  1800.32   62.342  1800.32   62.342  1800.32   62.342  815.579   14.155  815.579   14.155 0.000000 0.000000 
1 1 1  -19    0   22 o  415.329   5.8561  466.756   18.570  466.756   18.570  466.756   18.570  415.329   8.2817  415.329   8.2817 0.000000 0.000000 
1 1 1  -19    0   23 o   90.775   9.8162   23.788   6.3365   23.788   6.3365   23.788   6.3365   90.775   13.882   90.775   13.882 0.000000 0.000000 
1 1 1  -19    0   24 f  265.743   5.1808  191.282   10.503  191.282   10.503  191.282   10.503  265.743   7.3268  265.743   7.3268 0.000000 0.000000 
1 1 1  -19    0   25 o  242.753   5.4621  159.743   10.110  159.743   10.110  159.743   10.110  242.753   7.7246  242.753   7.7246 0.000000 0.000000 
1 1 1  -19    0   26 o  485.885   6.6250  638.851   24.579  638.851   24.579  638.851   24.579  485.885   9.3692  485.885   9.3692 0.000000 0.000000 
1 1 1  -19    0   27 o  510.334   6.8806  704.804   26.812  704.804   26.812  704.804   26.812  510.334   9.7307  510.334   9.7307 0.000000 0.000000 
1 1 1  -19    0   28 o  1127.51   13.596  3445.44  117.074  3445.44  117.074  3445.44  117.074  1127.51   19.228  1127.51   19.228 0.000000 0.000000 
1 1 1  -19    0   29 o  136.565   8.9080   51.710   9.1147   51.710   9.1147   51.710   9.1147  136.565   12.598  136.565   12.598 0.000000 0.000000 
1 1 1  -19    0   30 o  393.414   6.4171  419.050   19.269  419.050   19.269  419.050   19.269  393.414   9.0751  393.414   9.0751 0.000000 0.000000 
1 1 1  -19    0   31 o  595.395   7.8783  959.592   35.818  959.592   35.818  959.592   35.818  595.395   11.142  595.395   11.142 0.000000 0.000000 
1 1 1  -19    0   32 o  159.201   8.9723   69.848   10.756   69.848   10.756   69.848   10.756  159.201   12.689  159.201   12.689 0.000000 0.000000 
1 1 1  -19    0   33 o  1128.01   13.650  3450.24  117.591  3450.24  117.591  3450.24  117.591  1128.01   19.305  1128.01   19.305 0.000000 0.000000 
1 1 1  -19    0   34 o  383.621   6.2418  398.520   18.277  398.520   18.277  398.520   18.277  383.621   8.8273  383.621   8.8273 0.000000 0.000000 
1 1 1  -19    0   35 o  597.371   7.8646  966.234   35.874  966.234   35.874  966.234   35.874  597.371   11.122  597.371   11.122 0.000000 0.000000 
1 1 1  -19    0   36 o  442.979   6.5355  531.346   22.102  531.346   22.102  531.346   22.102  442.979   9.2425  442.979   9.2425 0.000000 0.000000 
1 1 1  -19    0   37 o  124.724   9.8017   43.662   9.0472   43.662   9.0472   43.662   9.0472  124.724   13.862  124.724   13.862 0.000000 0.000000 
1 1 1  -19    0   38 o   75.274   21.778   21.586   12.347   21.586   12.347   21.586   12.347   75.274   30.799   75.274   30.799 0.000000 0.000000 
1 1 1  -19    0   41 o   99.322   11.822   28.944   8.2089   28.944   8.2089   28.944   8.2089   99.322   16.718   99.322   16.718 0.000000 0.000000 
1 1 1  -19    0   42 o   37.488   15.397   4.6798   7.2386   4.6798   7.2386   4.6798   7.2386   37.488   21.775   37.488   21.775 0.000000 0.000000 
1 1 1  -19    0   43 o  178.418   6.7835   86.962   9.1879   86.962   9.1879   86.962   9.1879  178.418   9.5933  178.418   9.5933 0.000000 0.000000 
1 1 1  -19    0   44 f   63.538   16.481   14.722   7.3916   14.722   7.3916   14.722   7.3916   63.538   23.308   63.538   23.308 0.000000 0.000000 
1 1 1  -19    0   45 f  286.691   5.6644  223.053   12.388  223.053   12.388  223.053   12.388  286.691   8.0107  286.691   8.0107 0.000000 0.000000 
1 1 1  -19    0   46 o  446.285   6.4218  540.483   21.881  540.483   21.881  540.483   21.881  446.285   9.0819  446.285   9.0819 0.000000 0.000000 
1 1 1  -19    0   47 o  329.106   5.7362  294.033   14.407  294.033   14.407  294.033   14.407  329.106   8.1123  329.106   8.1123 0.000000 0.000000 
1 1 1  -19    0   48 o  429.201   6.3224  500.298   20.717  500.298   20.717  500.298   20.717  429.201   8.9412  429.201   8.9412 0.000000 0.000000 
1 1 1  -19    0   49 o   20.040   10.094  -9.5712   6.7818  -9.5712   6.7818  -9.5712   6.7818   20.040   14.275   20.040   14.275 0.000000 0.000000 
1 1 1  -19    0   50 o  170.554   6.6209   79.735   8.5699   79.735   8.5699   79.735   8.5699  170.554   9.3633  170.554   9.3633 0.000000 0.000000 
1 1 1  -19    0   51 o   45.236   16.521   8.4130   7.3361   8.4130   7.3361   8.4130   7.3361   45.236   23.364   45.236   23.364 0.000000 0.000000 
1 1 1  -19    0   52 o   17.186   8.8950 -18.4582   7.3820 -18.4582   7.3820 -18.4582   7.3820   17.186   12.579   17.186   12.579 0.000000 0.000000 
1 1 1  -19    0   53 o   59.650   16.400   13.574   7.1237   13.574   7.1237   13.574   7.1237   59.650   23.194   59.650   23.194 0.000000 0.000000 
1 1 1  -19    0   54 o  169.704   6.8855   79.279   8.8623   79.279   8.8623   79.279   8.8623  169.704   9.7376  169.704   9.7376 0.000000 0.000000 
1 1 1  -19    0   55 o  144.377   7.3843   57.858   8.0493   57.858   8.0493   57.858   8.0493  144.377   10.443  144.377   10.443 0.000000 0.000000 
1 1 1  -19    0   56 f  273.937   5.9104  204.947   12.347  204.947   12.347  204.947   12.347  273.937   8.3586  273.937   8.3586 0.000000 0.000000 
1 1 1  -19    0   57 o  108.527   10.069   34.191   7.9521   34.191   7.9521   34.191   7.9521  108.527   14.239  108.527   14.239 0.000000 0.000000 
1 1 1  -19    0   58 o  375.258   6.1497  385.201   17.614  385.201   17.614  385.201   17.614  375.258   8.6970  375.258   8.6970 0.000000 0.000000 
1 1 1  -19    0   59 o  272.392   5.9740  203.164   12.408  203.164   12.408  203.164   12.408  272.392   8.4486  272.392   8.4486 0.000000 0.000000 
1 1 1  -19    0   60 o  166.207   7.3700   76.843   9.2766   76.843   9.2766   76.843   9.2766  166.207   10.423  166.207   10.423 0.000000 0.000000 
1 1 1  -19    0   61 o  126.815   9.1895   46.051   8.6913   46.051   8.6913   46.051   8.6913  126.815   12.996  126.815   12.996 0.000000 0.000000 
1 1 1  -19    0   62 o  179.315   7.6790   90.077   10.434   90.077   10.434   90.077   10.434  179.315   10.860  179.315   10.860 0.000000 0.000000 
1 1 1  -19    0   63 o   16.688   8.7066 -24.8180   8.2653 -24.8180   8.2653 -24.8180   8.2653   16.688   12.313   16.688   12.313 0.000000 0.000000 
1 1 1  -19    0   64 o   50.952   18.347   12.032   8.9738   12.032   8.9738   12.032   8.9738   50.952   25.946   50.952   25.946 0.000000 0.000000 
1 1 1  -19    1    1 o  905.883   10.957  2223.61   53.637  2215.08   75.584  2232.27   76.126  904.138   15.471  907.629   15.522 -3.491333 21.91493 
1 1 1  -19    1    2 o  1160.37   13.911  3655.13   87.227  3658.51  123.500  3651.76  123.215  1160.91   19.687  1159.84   19.660 1.062500 27.82235 
1 1 1  -19    1    3 o  423.184   5.6368  483.656   12.880  469.973   17.798  498.702   18.663  416.910   7.9003  429.457   8.0423 -12.54761 11.27358 
1 1 1  -19    1    4 o  389.802   5.3172  410.798   11.200  408.012   15.788  413.621   15.890  388.471   7.5209  391.132   7.5183 -2.661194 10.63433 
1 1 1  -19    1    5 o  260.429   4.2216  183.291   5.9402  185.339   8.4852  181.323   8.3187  261.855   5.9967  259.003   5.9438 2.851776 8.443264 
1 1 1  -19    1    6 o  388.058   5.3139  407.095   11.142  410.456   15.870  403.828   15.647  389.636   7.5375  386.479   7.4925 3.157349 10.62788 
1 1 1  -19    1    7 f  713.461   10.741  1383.19   39.241  1392.39   48.403  1365.54   67.029  717.239   12.489  709.684   17.479 7.555359 21.48202 
1 1 1  -19    1    8 o  480.048   8.8710  621.202   22.942  654.955   34.084  593.243   31.022  491.904   12.823  468.193   12.262 23.71088 17.74198 
1 1 1  -19    1   10 o  839.796   20.488  1913.96   92.975   0.0000   0.0000  1913.96   92.975  ?   ?   839.796   20.488      ?      ? 
1 1 1  -19    1   11 o  148.889   5.3123   59.399   4.0566   58.283   4.9808   61.599   6.9915  146.842   6.2771  150.936   8.5721 -4.093338 10.62466 
1 1 1  -19    1   12 o  1033.86   12.450  2897.05   69.555  2904.03   98.626  2890.16   98.107  1035.09   17.633  1032.62   17.582 2.464844 24.90073 
1 1 1  -19    1   13 o  409.298   5.5945  452.910   12.373  451.894   17.493  453.927   17.504  408.839   7.9182  409.758   7.9055 -0.9190369 11.18904 
1 1 1  -19    1   14 o  233.597   4.2691  147.467   5.3885  149.365   7.6702  145.617   7.5716  235.081   6.0381  232.113   6.0367 2.967957 8.538210 
1 1 1  -19    1   15 o  1131.31   13.580  3469.47   83.013  3443.19  116.504  3496.56  118.312  1126.97   19.131  1135.65   19.280 -8.671143 27.16066 
1 1 1  -19    1   16 o  129.479   5.2060   45.315   3.6380   48.360   5.1892   42.373   5.1016  133.757   7.1796  125.200   7.5408 8.556602 10.41200 
1 1 1  -19    1   17 o  798.247   9.7764  1724.02   42.165  1706.71   59.058  1742.02   60.219  794.166   13.762  802.328   13.890 -8.161255 19.55279 
1 1 1  -19    1   18 o  805.584   9.8582  1755.93   42.911  1768.24   61.098  1743.94   60.281  808.367   13.987  802.801   13.896 5.565491 19.71638 
1 1 1  -19    1   19 o  762.920   9.3878  1574.74   38.702  1573.75   54.724  1575.74   54.742  762.679   13.278  763.162   13.274 -0.4838257 18.77561 
1 1 1  -19    1   20 o  272.508   4.8117  200.741   7.0843  196.599   10.025  204.874   10.013  269.698   6.8786  275.318   6.7303 -5.619812 9.623476 
1 1 1  -19    1   21 o  275.598   4.9499  204.909   7.3597  211.905   10.781  198.803   10.072  279.993   7.1255  271.203   6.8727 8.790466 9.899822 
1 1 1  -19    1   22 o  1050.40   12.675  2989.37   71.942  2987.58  101.666  2991.15  101.816  1050.08   17.917  1050.71   17.933 -0.6247559 25.34951 
1 1 1  -19    1   23 o  875.256   10.681  2073.94   50.515  2068.69   71.274  2079.24   71.605  874.145   15.089  876.367   15.121 -2.222473 21.36133 
1 1 1  -19    1   24 o  464.517   6.3773  582.406   15.991  605.272   23.272  561.953   22.010  473.136   9.1026  455.897   8.9343 17.23926 12.75457 
1 1 1  -19    1   25 o  945.818   11.495  2422.76   58.745  2437.10   83.551  2408.75   82.612  948.578   16.300  943.058   16.211 5.520264 22.98903 
1 1 1  -19    1   26 o  165.486   6.3414   73.985   5.6433   73.393   7.6015   74.712   8.4232  164.755   8.5383  166.216   9.3781 -1.460571 12.68274 
1 1 1  -19    1   27 o  326.045   5.5388  287.507   9.7552  294.432   13.750  280.487   13.843  330.003   7.7107  322.087   7.9534 7.916687 11.07755 
1 1 1  -19    1   28 o  548.874   7.2226  814.988   21.421  813.907   30.223  816.079   30.366  548.510   10.197  549.239   10.232 -0.7291260 14.44512 
1 1 1  -19    1   29 o  811.129   10.033  1781.85   43.973  1776.20   61.974  1787.57   62.402  809.839   14.162  812.420   14.214 -2.581665 20.06523 
1 1 1  -19    1   30 o  384.151   6.2662  399.019   13.004  396.093   18.141  402.111   18.649  382.706   8.7723  385.595   8.9502 -2.889252 12.53236 
1 1 1  -19    1   31 o  426.737   6.5758  492.296   15.159  506.549   21.747  478.826   21.142  432.741   9.3000  420.732   9.2992 12.00848 13.15163 
1 1 1  -19    1   32 o  402.737   6.4394  438.178   14.000  426.874   19.297  450.740   20.343  397.266   8.9893  408.208   9.2224 -10.94254 12.87870 
1 1 1  -19    1   33 f  947.726   11.614  2436.39   59.478  2429.28   83.848  2443.60   84.382  946.340   16.397  949.111   16.453 -2.770569 23.22841 
1 1 1  -19    1   34 o  341.385   6.0651  315.268   11.188  312.135   15.741  318.467   15.905  339.671   8.5761  343.099   8.5786 -3.428131 12.13025 
1 1 1  -19    1   35 o  468.831   6.7267  594.809   17.039  592.827   23.880  596.864   24.319  468.041   9.4420  469.620   9.5834 -1.579132 13.45334 
1 1 1  -19    1   36 o  391.767   8.7035  415.348   18.425   0.0000   0.0000  415.348   18.425  ?   ?   391.767   8.7035      ?      ? 
1 1 1  -19    1   37 o  343.172   5.8872  317.869   10.901  301.970   14.936  335.991   15.947  334.019   8.2752  352.326   8.3761 -18.30640 11.77449 
1 1 1  -19    1   38 o   59.847   16.649   0.6861   8.8318   14.104   12.955 -10.9640   12.072   75.261   26.095   44.433   20.683 30.82817 33.29811 
1 1 1  -19    1   41 o  241.173   5.9696  157.664   7.7631  158.345   10.650  156.892   11.339  241.754   8.1528  240.593   8.7220 1.160355 11.93910 
1 1 1  -19    1   42 o  329.703   5.7583  294.561   10.258  289.926   14.406  299.329   14.611  327.072   8.1510  332.335   8.1360 -5.263092 11.51668 
1 1 1  -19    1   43 o  250.970   5.7109  170.888   7.7399  166.272   11.038  175.353   10.856  247.614   8.2496  254.326   7.8993 -6.711319 11.42170 
1 1 1  -19    1   44 f   86.135   11.575   21.803   5.1822   32.227   7.3018   11.224   7.3561  108.680   12.433   63.590   19.529 45.09052 23.15089 
1 1 1  -19    1   45 o  230.260   5.7989  143.865   7.2073  143.491   9.9558  144.277   10.447  229.969   8.0116  230.552   8.3858 -0.5829773 11.59774 
1 1 1  -19    1   46 o  443.777   6.4247  535.446   15.406  540.305   21.864  530.655   21.712  445.780   9.0765  441.775   9.0953 4.004791 12.84943 
1 1 1  -19    1   47 o  216.398   5.9148  127.296   6.9128  128.079   9.9508  126.565   9.6104  217.021   8.4853  215.774   8.2424 1.246857 11.82951 
1 1 1  -19    1   48 o  391.061   6.0394  416.098   12.762  420.567   18.154  411.733   17.943  393.135   8.5458  388.987   8.5362 4.147888 12.07877 
1 1 1  -19    1   49 o  143.885   7.7705   56.704   6.0339   60.095   8.5476   53.335   8.5190  148.230   10.671  139.541   11.298 8.688995 15.54095 
1 1 1  -19    1   50 o   74.998   12.941   16.449   5.2017   15.529   7.3398   17.378   7.3731   72.845   18.586   77.150   18.013 -4.305107 25.88235 
1 1 1  -19    1   51 o  250.775   5.6975  171.402   7.7193  175.280   11.034  167.684   10.804  253.554   8.0530  247.996   8.0619 5.557846 11.39494 
1 1 1  -19    1   52 o  200.622   6.2772  110.007   6.8026  107.694   9.4669  112.476   9.7815  198.457   8.8278  202.787   8.9264 -4.330673 12.55435 
1 1 1  -19    1   53 o   55.164   13.655   8.0753   5.0255   8.4723   7.0347   7.6615   7.1817   55.928   19.239   54.401   19.383 1.526054 27.30966 
1 1 1  -19    1   54 o  368.751   5.9538  372.177   11.858  381.075   17.084  363.903   16.473  372.968   8.4766  364.534   8.3629 8.433655 11.90765 
1 1 1  -19    1   55 o  160.734   6.9452   71.247   6.0255   70.457   8.3082   72.124   8.7519  159.863   9.6177  161.605   10.022 -1.741547 13.89039 
1 1 1  -19    1   56 o  132.252   8.0663   48.762   5.7449   53.493   8.1503   44.090   8.0990  138.818   10.865  125.686   11.925 13.13186 16.13251 
1 1 1  -19    1   57 o  245.300   6.0276  165.753   7.9842  159.505   11.324  171.929   11.259  240.600   8.7099  250.000   8.3346 -9.399765 12.05515 
1 1 1  -19    1   58 o   39.716   12.019  -5.3673   5.4921 -17.7914   7.8468   6.5641   7.6897   27.510   13.666   51.923   19.775 -24.41312 24.03761 
1 1 1  -19    1   59 o  126.392   8.6692   45.275   5.8741   38.938   8.2964   51.646   8.3182  117.096   13.112  135.688   11.345 -18.59278 17.33847 
1 1 1  -19    1   60 o  253.449   6.2081  178.015   8.4987  185.126   12.101  171.093   11.939  258.528   8.6622  248.370   8.8954 10.15765 12.41619 
1 1 1  -19    1   61 o  229.353   6.3510  146.229   7.8703  146.007   11.203  146.446   11.059  229.133   9.0479  229.573   8.9149 -0.4398651 12.70198 
1 1 1  -19    1   62 o   87.554   13.336   24.797   6.2779   31.079   8.7789   18.222   8.9811  101.590   15.992   73.518   21.346 28.07253 26.67211 
1 1 1  -19    1   63 o   29.539   14.578 -16.0277   8.4065   0.0000   0.0000 -16.0277   8.4065  ?   ?    29.539   14.578      ?      ? 
1 1 1  -19    1   64 o   40.987   13.049  -2.0738   6.2615   2.3106   8.5583  -7.1240   9.1852   45.049   19.401   36.925   17.456 8.123405 26.09802 
1 1 1  -19    2    1 o  240.753   4.0994  156.694   5.3316  155.204   7.6074  158.133   7.4744  239.626   5.8751  241.879   5.7186 -2.253204 8.198739 
1 1 1  -19    2    2 o  329.626   4.7572  293.682   8.4718  295.522   12.120  291.924   11.846  330.634   6.7837  328.618   6.6713 2.015778 9.514444 
1 1 1  -19    2    3 o  361.654   5.0624  353.587   9.8923  354.303   14.093  352.891   13.889  362.014   7.2041  361.294   7.1143 0.7194214 10.12484 
1 1 1  -19    2    4 o  365.706   5.0970  361.545   10.072  363.058   14.346  360.076   14.143  366.458   7.2448  364.953   7.1714 1.505676 10.19396 
1 1 1  -19    2    5 o  122.844   5.8108   40.788   3.8573   0.0000   0.0000   40.788   3.8573  ?   ?   122.844   5.8108      ?      ? 
1 1 1  -19    2    6 o  291.172   4.5110  229.018   7.0951  223.050   9.8796  235.375   10.196  287.258   6.3647  295.087   6.3942 -7.829407 9.021976 
1 1 1  -19    2    7 o  967.153   16.560  2541.75   86.519  2506.76  120.627  2578.83  124.161  960.343   23.245  973.963   23.592 -13.62018 33.11929 
1 1 1  -19    2    8 o  1043.17   17.808  2959.54  100.357  2921.17  140.085  3000.00  143.841  1036.27   25.017  1050.06   25.350 -13.79346 35.61552 
1 1 1  -19    2   10 o  669.609   11.767  1213.28   42.533  1180.18   58.567  1250.22   61.870  659.983   16.422  679.235   16.857 -19.25183 23.53366 
1 1 1  -19    2   11 o  579.335   8.9378  916.464   26.770  937.336   33.523  879.730   44.472  588.667   10.539  570.004   14.439 18.66241 17.87556 
1 1 1  -19    2   12 o  646.413   8.0645  1130.20   28.164  1142.89   40.300  1118.10   39.376  649.951   11.475  642.875   11.335 7.075684 16.12901 
1 1 1  -19    2   13 o  628.943   7.8812  1070.08   26.785  1069.30   37.896  1070.87   37.863  628.712   11.155  629.174   11.137 -0.4625854 15.76239 
1 1 1  -19    2   14 o  525.748   6.7748  747.433   19.246  742.619   27.089  752.341   27.350  524.040   9.5663  527.457   9.5958 -3.417542 13.54966 
1 1 1  -19    2   15 o  462.969   6.1503  579.458   15.386  574.626   21.624  584.411   21.895  461.015   8.6804  464.923   8.7152 -3.907532 12.30057 
1 1 1  -19    2   16 o  424.017   5.7727  486.013   13.226  488.603   18.815  483.484   18.596  425.132   8.1901  422.901   8.1375 2.231415 11.54545 
1 1 1  -19    2   17 o  246.491   4.5319  164.213   6.0363  163.985   8.5488  164.439   8.5245  246.320   6.4227  246.662   6.3955 -0.3413696 9.063900 
1 1 1  -19    2   18 o  575.905   7.3379  896.781   22.834  902.788   32.532  890.948   32.057  577.804   10.419  574.006   10.335 3.797485 14.67579 
1 1 1  -19    2   19 o  761.293   9.3710  1567.94   38.548  1558.10   54.193  1578.01   54.843  758.878   13.215  763.707   13.289 -4.828369 18.74190 
1 1 1  -19    2   20 o  290.240   4.9100  227.695   7.7001  231.398   10.904  224.012   10.875  292.594   6.8968  287.885   6.9905 4.709137 9.820086 
1 1 1  -19    2   21 o  1178.76   14.157  3766.94   90.170  3749.65  126.934  3784.55  128.114  1176.04   19.974  1181.48   20.067 -5.441895 28.31343 
1 1 1  -19    2   22 o  1395.80   16.696  5289.54  125.926  5286.69  177.987  5292.40  178.185  1395.43   23.604  1396.18   23.618 -0.7492676 33.39130 
1 1 1  -19    2   23 o  950.083   11.532  2444.53   59.203  2439.79   83.567  2449.31   83.885  949.159   16.293  951.006   16.324 -1.846191 23.06352 
1 1 1  -19    2   24 o  545.211   7.1153  803.563   20.957  816.297   30.059  791.519   29.234  549.409   10.125  541.013   9.9997 8.396423 14.23058 
1 1 1  -19    2   25 o  453.584   6.3131  556.274   15.473  554.563   21.781  558.018   21.985  452.881   8.9001  454.288   8.9560 -1.406525 12.62628 
1 1 1  -19    2   26 o  1101.57   13.291  3289.87   79.100  3257.87  110.680  3323.28  113.087  1096.12   18.686  1107.02   18.905 -10.90186 26.58139 
1 1 1  -19    2   27 o  720.983   9.0056  1407.07   35.085  1404.72   49.516  1409.44   49.721  720.380   12.720  721.586   12.751 -1.206421 18.01123 
1 1 1  -19    2   28 o  398.075   6.0182  428.179   12.934  421.074   17.851  436.030   18.765  394.607   8.3716  401.542   8.6481 -6.935181 12.03635 
1 1 1  -19    2   29 o  672.196   8.5526  1222.60   31.060  1239.85   44.452  1206.14   43.417  676.823   12.154  667.569   12.036 9.254333 17.10522 
1 1 1  -19    2   30 o  679.606   8.6765  1250.18   31.863  1257.19   45.205  1243.27   44.917  681.497   12.275  677.715   12.265 3.782593 17.35291 
1 1 1  -19    2   31 o  504.223   7.0833  687.769   19.297  703.539   27.446  672.354   27.136  509.942   9.9604  498.504   10.074 11.43774 14.16657 
1 1 1  -19    2   32 o  392.533   6.4342  414.701   13.607  390.727   18.396  443.665   20.220  380.075   8.9570  404.990   9.2393 -24.91544 12.86831 
1 1 1  -19    2   33 o  660.539   8.5084  1181.26   30.366  1195.74   43.319  1167.26   42.580  664.515   12.064  656.563   12.002 7.952637 17.01687 
1 1 1  -19    2   34 o  711.356   9.0246  1371.21   34.690  1369.78   49.028  1372.65   49.089  710.984   12.761  711.729   12.764 -0.7447510 18.04911 
1 1 1  -19    2   35 o  349.620   5.9441  330.643   11.227  329.054   15.680  332.315   16.082  348.762   8.3200  350.477   8.4915 -1.714905 11.88814 
1 1 1  -19    2   36 o  346.637   5.9687  325.101   11.179  332.014   15.915  318.369   15.706  350.276   8.4081  342.999   8.4739 7.277313 11.93742 
1 1 1  -19    2   37 o  268.742   6.0190  195.504   8.7406  193.913   12.361  197.094   12.362  267.647   8.5464  269.837   8.4779 -2.189972 12.03809 
1 1 1  -19    2   38 o  201.625   9.5357  110.497   10.378  105.293   14.744  115.608   14.611  196.886   13.858  206.363   13.103 -9.477020 19.07149 
1 1 1  -19    2   41 o  286.289   7.9093  222.031   12.236   0.0000   0.0000  222.031   12.236  ?   ?   286.289   7.9093      ?      ? 
1 1 1  -19    2   42 o  418.021   6.2106  473.642   14.022  480.280   20.191  467.456   19.489  420.832   8.8789  415.209   8.6863 5.623230 12.42122 
1 1 1  -19    2   43 o  171.577   6.6471   79.889   6.1581   78.923   8.5236   80.945   8.9068  170.505   9.2513  172.648   9.5471 -2.143677 13.29411 
1 1 1  -19    2   44 o  289.554   5.7346  227.352   8.9700  233.229   12.872  221.803   12.507  293.187   8.1248  285.920   8.0950 7.267517 11.46919 
1 1 1  -19    2   45 o  266.877   5.6100  192.844   8.0808  201.493   11.781  185.159   11.105  272.507   8.0003  261.247   7.8665 11.26025 11.21991 
1 1 1  -19    2   46 o  148.179   7.2773   59.704   5.8019   67.729   8.4025   52.392   8.0209  157.728   9.8586  138.630   10.707 19.09827 14.55463 
1 1 1  -19    2   47 o  266.288   5.7152  192.076   8.2098  180.117   11.236  205.770   12.024  257.428   8.0777  275.148   8.0873 -17.72021 11.43035 
1 1 1  -19    2   48 o  167.420   6.8536   76.402   6.1988   74.116   8.6750   78.787   8.8608  164.855   9.7383  169.985   9.6465 -5.130325 13.70727 
1 1 1  -19    2   49 o  358.333   5.8641  349.163   11.347  359.880   16.416  339.358   15.702  363.572   8.3560  353.094   8.2296 10.47797 11.72814 
1 1 1  -19    2   50 o   46.828   11.957   0.0112   5.0924   11.844   7.1303 -12.3080   7.2754   64.143   19.128   29.514   14.352 34.62865 23.91317 
1 1 1  -19    2   51 o  205.956   6.0919  115.235   6.7628  125.050   9.9878  106.925   9.1900  214.008   8.6367  197.903   8.5936 16.10551 12.18375 
1 1 1  -19    2   52 f  142.805   7.7011   56.427   5.9040   62.803   8.2718   49.806   8.4293  151.250   10.121  134.359   11.610 16.89098 15.40216 
1 1 1  -19    2   53 o  161.232   6.8724   71.487   5.9787   66.796   8.4251   76.247   8.4856  155.818   10.006  166.646   9.4233 -10.82774 13.74488 
1 1 1  -19    2   54 o  122.730   8.1850   41.757   5.4195   41.937   7.8971   41.598   7.4510  122.893   11.892  122.568   11.250 0.3247147 16.36998 
1 1 1  -19    2   55 o  197.889   6.1776  107.621   6.5919  107.160   9.6268  108.027   9.0452  197.379   9.0259  198.399   8.4371 -1.019394 12.35520 
1 1 1  -19    2   56 o  212.398   6.1935  124.174   7.1029  120.596   10.141  127.618   9.9517  209.303   8.9665  215.493   8.5462 -6.190109 12.38692 
1 1 1  -19    2   57 o   62.015   13.598   10.944   5.4241   4.8942   7.5974   17.234   7.7464   49.062   19.383   74.967   19.076 -25.90532 27.19512 
1 1 1  -19    2   58 o   88.609   12.090   23.620   5.5782   23.056   7.9193   24.176   7.8585   87.391   17.382   89.827   16.808 -2.436218 24.17908 
1 1 1  -19    2   59 o   56.794   12.849   5.3119   5.7742   19.416   8.4370  -7.1149   7.9196   78.855   19.822   34.734   16.355 44.12130 25.69847 
1 1 1  -19    2   60 o  218.864   6.6038  133.181   7.8053  126.785   10.911  139.884   11.170  213.402   9.4620  224.327   9.2148 -10.92436 13.20764 
1 1 1  -19    2   61 o   44.289   13.296   1.7178   5.6389  -1.2274   8.1510   4.4211   7.8093   40.818   18.204   47.759   19.383 -6.941521 26.59152 
1 1 1  -19    2   62 o  166.373   7.7084   78.763   6.9232   78.286   9.5709   79.286   10.027  166.024   10.668  166.722   11.130 -0.6978149 15.41679 
1 1 1  -19    2   63 o  138.904   9.6985   55.643   6.9716   37.025   9.3722   78.707   10.431  111.668   15.532  166.140   11.619 -54.47264 19.39705 
1 1 1  -19    2   64 o   40.971   13.055  -2.9969   6.3432   3.7233   9.1250  -9.2808   8.8238   47.591   20.252   34.351   16.479 13.24019 26.10961 
1 1 1  -19    2   65 o   77.648   28.561   27.004   15.750   27.004   15.750   0.0000   0.0000   77.648   28.561  ?   ?       ?      ? 
1 1 1  -19    3    1 o  175.911   5.4458   83.635   5.1765   0.0000   0.0000   83.635   5.1765  ?   ?   175.911   5.4458      ?      ? 
1 1 1  -19    3    2 f  750.605   9.1982  1525.12   37.307  1527.58   52.913  1522.69   52.610  751.205   13.035  750.006   12.981 1.198181 18.39630 
1 1 1  -19    3    3 o  280.282   4.4208  212.363   6.6944  207.516   9.4592  217.227   9.4754  277.076   6.3178  283.488   6.1855 -6.411682 8.841655 
1 1 1  -19    3    4 o  567.913   7.1829  872.066   22.038  857.215   30.752  887.744   31.597  562.948   10.109  572.878   10.207 -9.930420 14.36581 
1 1 1  -19    3    5 o  556.354   8.6408  837.406   24.543  836.845   30.120  838.513   42.337  556.227   10.021  556.481   14.079 -0.2531738 17.28158 
1 1 1  -19    3    6 o  285.941   6.2998  221.029   9.7324  216.351   13.626  225.901   13.906  282.854   8.9150  289.029   8.9034 -6.175385 12.59954 
1 1 1  -19    3    7 o  757.113   13.140  1554.48   53.757  1558.11   76.245  1550.90   75.805  757.985   18.615  756.240   18.550 1.745422 26.27992 
1 1 1  -19    3    8 o  888.849   15.282  2142.77   73.339  2091.22  101.210  2199.77  106.420  877.659   21.341  900.040   21.881 -22.38129 30.56497 
1 1 1  -19    3    9 o  568.931   10.222  876.280   31.420  885.135   44.914  867.793   43.970  571.738   14.538  566.124   14.373 5.614685 20.44358 
1 1 1  -19    3   10 o  693.132   12.151  1301.89   45.509  1291.67   63.927  1312.39   64.801  690.380   17.136  695.884   17.233 -5.503540 24.30244 
1 1 1  -19    3   11 o  783.303   11.732  1668.42   47.116  1681.67   58.214  1643.24   80.226  788.182   13.668  778.423   19.073 9.759399 23.46447 
1 1 1  -19    3   12 o  609.899   7.6690  1006.20   25.275  1004.41   35.731  1007.99   35.757  609.356   10.851  610.441   10.840 -1.085022 15.33808 
1 1 1  -19    3   13 o  308.607   4.7822  257.412   7.9744  259.246   11.348  255.624   11.209  309.692   6.7808  307.522   6.7451 2.170532 9.564336 
1 1 1  -19    3   14 o  606.120   7.6405  993.668   25.025  991.424   35.345  995.924   35.435  605.434   10.804  606.807   10.807 -1.372437 15.28109 
1 1 1  -19    3   15 o  614.568   7.7464  1021.26   25.719  1033.41   36.854  1009.73   35.909  618.125   11.034  611.010   10.876 7.114990 15.49283 
1 1 1  -19    3   16 o   63.050   9.3563   11.172   3.0861   10.520   4.3819   11.813   4.3471   61.155   13.611   64.946   12.842 -3.790768 18.71268 
1 1 1  -19    3   17 o  178.499   4.5640   86.139   4.4010   84.446   6.2555   87.798   6.1928  176.761   6.5492  180.237   6.3585 -3.476028 9.128090 
1 1 1  -19    3   18 o  688.995   8.5703  1283.84   31.904  1296.20   45.574  1271.97   44.677  692.240   12.184  685.750   12.057 6.490601 17.14064 
1 1 1  -19    3   19 o  586.926   7.4876  931.513   23.746  924.988   33.412  938.172   33.755  584.851   10.572  589.002   10.606 -4.151550 14.97515 
1 1 1  -19    3   20 o  424.832   5.9078  487.410   13.553  474.898   18.744  501.117   19.619  419.127   8.2763  430.537   8.4329 -11.40997 11.81567 
1 1 1  -19    3   21 o  1384.34   16.555  5201.98  123.827  5164.62  173.842  5240.47  176.422  1379.32   23.324  1389.36   23.499 -10.04211 33.10915 
1 1 1  -19    3   22 o  458.810   6.2991  568.160   15.598  550.446   21.417  588.166   22.761  451.213   8.7840  466.407   9.0309 -15.19455 12.59829 
1 1 1  -19    3   23 o  1190.54   14.296  3843.07   91.964  3816.42  129.165  3870.48  130.969  1186.37   20.148  1194.71   20.287 -8.343384 28.59211 
1 1 1  -19    3   24 o  455.212   6.2835  560.221   15.455  556.422   21.702  564.131   22.015  453.648   8.8530  456.777   8.9193 -3.129639 12.56701 
1 1 1  -19    3   25 o  1083.16   13.071  3180.39   76.506  3184.53  108.361  3176.26  108.031  1083.86   18.502  1082.45   18.469 1.402222 26.14256 
1 1 1  -19    3   26 o  883.209   10.805  2112.58   51.564  2094.84   72.275  2130.97   73.587  879.444   15.209  886.975   15.353 -7.531250 21.61089 
1 1 1  -19    3   27 o  464.073   6.4586  581.319   16.170  563.642   22.129  601.572   23.687  456.526   8.9703  471.620   9.2947 -15.09430 12.91728 
1 1 1  -19    3   28 o  167.781   6.6647   76.552   5.9970   80.154   8.1196   72.229   8.8954  172.160   8.7280  163.402   10.074 8.758133 13.32936 
1 1 1  -19    3   29 o  413.215   6.1686  460.694   13.752  444.246   18.808  479.587   20.157  405.314   8.5875  421.116   8.8580 -15.80200 12.33729 
1 1 1  -19    3   30 o  235.475   6.2666  149.498   7.9567  143.220   10.829  156.865   11.730  230.123   8.7084  240.827   9.0136 -10.70441 12.53318 
1 1 1  -19    3   31 o  859.648   10.625  1999.13   49.279  1939.63   67.490  2067.08   72.123  846.018   14.763  873.278   15.284 -27.26056 21.24945 
1 1 1  -19    3   32 o  184.118   11.374   91.755   11.316   0.0000   0.0000   91.755   11.316  ?   ?   184.118   11.374      ?      ? 
1 1 1  -19    3   33 o  735.368   9.3116  1464.99   36.997  1451.58   51.863  1478.88   52.793  731.951   13.113  738.786   13.224 -6.834534 18.62310 
1 1 1  -19    3   34 o  385.078   6.2184  400.967   12.933  393.923   17.961  408.552   18.639  381.573   8.7110  388.583   8.8766 -7.010529 12.43684 
1 1 1  -19    3   35 o  634.544   8.2246  1090.66   28.201  1092.19   39.820  1089.11   39.944  634.996   11.605  634.091   11.658 0.9044800 16.44910 
1 1 1  -19    3   36 o  433.270   6.4168  507.884   15.014  500.287   20.816  516.122   21.677  429.905   8.9606  436.635   9.1875 -6.729828 12.83364 
1 1 1  -19    3   37 o  394.069   6.1785  420.464   13.155  424.485   18.510  416.361   18.699  395.980   8.6503  392.157   8.8242 3.823334 12.35697 
1 1 1  -19    3   40 o  271.093   12.153  199.685   17.803  199.685   17.803   0.0000   0.0000  271.093   12.153  ?   ?       ?      ? 
1 1 1  -19    3   41 o  164.559   7.2152   73.398   6.4116   70.765   8.8729   76.276   9.2751  161.476   10.169  167.641   10.239 -6.164719 14.43048 
1 1 1  -19    3   42 o  448.358   6.4590  544.754   15.636  559.702   22.666  531.180   21.599  454.200   9.2351  442.516   9.0326 11.68439 12.91798 
1 1 1  -19    3   43 o   98.192   10.588   26.228   5.5650   27.541   8.5596   25.267   7.3242  100.235   15.803   96.150   14.097 4.084831 21.17698 
1 1 1  -19    3   44 o  359.045   5.8369  349.815   11.324  350.599   16.091  349.046   15.940  359.438   8.2845  358.652   8.2248 0.7859802 11.67388 
1 1 1  -19    3   45 o  189.080   6.2737   97.006   6.3959   88.368   8.8913  106.268   9.2072  180.338   9.1241  197.822   8.6133 -17.48366 12.54742 
1 1 1  -19    3   46 o   56.326   13.777   8.0596   5.0983   7.6086   7.0026   8.5683   7.4373   55.003   19.179   57.648   19.784 -2.644821 27.55455 
1 1 1  -19    3   47 o  276.250   5.5599  207.311   8.2981  202.001   11.628  212.821   11.845  272.641   7.8928  279.859   7.8329 -7.218445 11.11980 
1 1 1  -19    3   48 f  270.107   5.6223  198.346   8.2053  200.092   11.702  196.657   11.509  271.270   7.9830  268.945   7.9192 2.324860 11.24460 
1 1 1  -19    3   49 o   83.668   11.947   20.417   5.2786   13.915   7.5767   26.550   7.3582   69.270   19.445   98.066   13.886 -28.79558 23.89419 
1 1 1  -19    3   50 o  173.092   6.5828   81.903   6.1555   80.293   8.7430   83.485   8.6678  171.377   9.4410  174.807   9.1762 -3.429794 13.16567 
1 1 1  -19    3   51 o  132.664   7.9764   48.970   5.6493   42.129   8.2085   55.125   7.7869  123.537   12.296  141.791   10.163 -18.25394 15.95279 
1 1 1  -19    3   52 f  238.115   5.8483  154.878   7.5249  154.484   10.622  155.274   10.662  237.812   8.2659  238.417   8.2755 -0.6040802 11.69655 
1 1 1  -19    3   53 o  147.417   7.2571   59.830   5.7688   65.177   8.2682   54.758   8.0528  153.920   9.9410  140.915   10.575 13.00446 14.51428 
1 1 1  -19    3   54 f  239.452   5.8884  156.915   7.6129  166.071   10.943  148.327   10.598  246.255   8.2235  232.649   8.4302 13.60597 11.77682 
1 1 1  -19    3   55 o   63.926   13.633   11.933   5.2444   15.965   7.5559   8.1849   7.2849   72.665   19.021   55.187   19.537 17.47773 27.26671 
1 1 1  -19    3   56 o  171.714   6.7600   81.744   6.2436   74.192   8.9352   88.951   8.7281  163.717   10.100  179.711   8.9879 -15.99394 13.52003 
1 1 1  -19    3   57 o  125.036   8.8274   44.167   5.9347   39.800   8.4668   48.385   8.3209  118.638   13.207  131.433   11.716 -12.79517 17.65470 
1 1 1  -19    3   58 o   54.189   14.009   7.7372   5.4608   4.9274   7.9568   10.239   7.5083   49.457   19.742   58.921   19.881 -9.464035 28.01790 
1 1 1  -19    3   59 o  237.892   6.2531  156.495   8.0358  161.102   11.380  151.913   11.349  241.459   8.7219  234.326   8.9629 7.132950 12.50615 
1 1 1  -19    3   60 o   71.039   13.691   15.718   5.9950   24.785   8.4519   6.5377   8.5047   89.652   18.071   52.427   20.573 37.22426 27.38228 
1 1 1  -19    3   61 o   69.082   14.335   15.341   5.7851   12.367   8.2477   18.222   8.1167   62.702   20.834   75.462   19.695 -12.76026 28.66990 
1 1 1  -19    3   62 o   77.904   14.241   20.036   6.0538   18.270   8.5090   21.846   8.6148   74.093   20.539   81.715   19.733 -7.622360 28.48228 
1 1 1  -19    3   63 o  160.842   11.081   73.393   9.6311   73.393   9.6311   0.0000   0.0000  160.842   11.081  ?   ?       ?      ? 
1 1 1  -19    3   64 o   38.928   13.150  -7.9187   7.3993 -10.1374   12.687  -6.7749   9.1089   41.284   19.793   36.572   17.317 4.711697 26.29911 
1 1 1  -19    3   66 o   63.065   26.482   16.311   15.264   16.311   15.264   0.0000   0.0000   63.065   26.482  ?   ?       ?      ? 
1 1 1  -19    4    1 o  768.191   9.4076  1597.41   39.051  1592.79   55.161  1602.05   55.293  767.077   13.308  769.305   13.301 -2.228210 18.81529 
1 1 1  -19    4    2 o  272.641   6.1258  200.916   9.0248   0.0000   0.0000  200.916   9.0248  ?   ?   272.641   6.1258      ?      ? 
1 1 1  -19    4    3 o  328.732   4.8392  292.062   8.5933  294.255   12.332  289.992   11.981  329.930   6.9170  327.535   6.7695 2.394775 9.678347 
1 1 1  -19    4    4 o  267.595   6.1142  193.409   8.8354  199.640   12.779  187.703   12.230  271.718   8.7032  263.472   8.5900 8.245819 12.22842 
1 1 1  -19    4    5 o  619.783   10.960  1040.29   36.700  1027.70   51.393  1053.38   52.425  615.966   15.440  623.601   15.558 -7.635010 21.91908 
1 1 1  -19    4    6 o  484.356   8.9032  634.274   23.287  618.018   32.231  652.027   33.683  477.877   12.482  490.835   12.700 -12.95840 17.80638 
1 1 1  -19    4    7 o  709.981   10.686  1376.47   39.152  1326.35   65.371  1404.50   48.891  699.559   17.293  720.403   12.559 -20.84418 21.37258 
1 1 1  -19    4    8 o  743.813   9.1490  1497.39   36.772  1493.84   51.970  1500.96   52.038  742.928   12.945  744.697   12.932 -1.769653 18.29794 
1 1 1  -19    4    9 o  271.654   6.3754  199.115   9.3433  206.892   13.695  192.342   12.780  276.602   9.1624  266.706   8.8674 9.895935 12.75072 
1 1 1  -19    4   10 o   67.807   10.907   12.680   3.9179   16.396   5.9132   9.7725   5.2309   76.518   14.837   59.095   15.992 17.42313 21.81415 
1 1 1  -19    4   11 o  419.711   7.0246  472.486   14.931  465.345   18.116  487.612   26.366  414.875   8.0807  424.546   11.493 -9.670074 14.04922 
1 1 1  -19    4   12 o  841.136   10.256  1914.04   46.590  1876.03   64.603  1955.23   67.253  832.457   14.362  849.815   14.645 -17.35767 20.51210 
1 1 1  -19    4   13 o  243.091   4.4780  159.645   5.8798  153.340   8.2275  166.227   8.4061  238.187   6.3923  247.995   6.2728 -9.808792 8.956016 
1 1 1  -19    4   14 o  822.667   10.051  1831.62   44.680  1818.13   62.785  1845.47   63.598  819.601   14.176  825.732   14.253 -6.130981 20.10294 
1 1 1  -19    4   15 o  911.347   11.063  2248.49   54.478  2236.77   76.689  2260.43   77.402  908.954   15.614  913.740   15.676 -4.785461 22.12535 
1 1 1  -19    4   16 o  403.256   5.6282  439.262   12.259  428.183   17.048  451.126   17.642  397.995   7.9270  408.517   7.9919 -10.52203 11.25646 
1 1 1  -19    4   17 o  523.291   6.8099  739.424   19.239  718.591   26.539  762.500   27.931  515.536   9.5266  531.045   9.7336 -15.50891 13.61978 
1 1 1  -19    4   18 o  673.740   8.4157  1227.32   30.630  1208.29   42.713  1247.48   43.949  668.369   11.826  679.112   11.976 -10.74310 16.83142 
1 1 1  -19    4   19 o  543.019   7.0521  797.275   20.691  791.300   29.065  803.415   29.463  540.957   9.9431  545.080   10.003 -4.122375 14.10413 
1 1 1  -19    4   20 o  1336.37   15.996  4846.48  115.507  4854.29  163.721  4838.73  162.985  1337.43   22.654  1335.30   22.588 2.126709 31.99104 
1 1 1  -19    4   21 o  1122.23   13.508  3412.89   81.903  3378.04  114.612  3449.26  117.085  1116.40   18.999  1128.06   19.208 -11.66895 27.01653 
1 1 1  -19    4   22 o  1060.36   12.793  3046.17   73.295  3018.36  102.692  3075.05  104.647  1055.45   18.006  1065.28   18.179 -9.836182 25.58686 
1 1 1  -19    4   23 o  246.179   5.1416  163.840   6.8388  165.445   9.6239  162.202   9.7198  247.399   7.1989  244.960   7.3430 2.439331 10.28320 
1 1 1  -19    4   24 o  216.758   5.2054  126.799   6.0907  122.602   8.3837  131.490   8.8636  212.967   7.2851  220.549   7.4373 -7.581894 10.41086 
1 1 1  -19    4   25 o  214.194   5.4360  124.088   6.2833  125.173   8.6846  122.896   9.1020  215.180   7.4690  213.207   7.9004 1.973663 10.87207 
1 1 1  -19    4   26 o  348.511   5.5441  328.407   10.440  330.707   14.734  326.086   14.797  349.739   7.7962  347.284   7.8847 2.454865 11.08826 
1 1 1  -19    4   27 o  169.104   6.4057   78.259   5.7672   84.055   7.7112   70.902   8.6879  176.311   8.0939  161.897   9.9309 14.41451 12.81146 
1 1 1  -19    4   28 o  660.450   8.4094  1178.43   29.971  1142.77   41.115  1218.87   43.781  649.823   11.709  671.077   12.073 -21.25385 16.81871 
1 1 1  -19    4   29 o  372.644   6.0025  375.341   12.077  371.501   16.700  379.550   17.484  370.653   8.3382  374.635   8.6368 -3.982391 12.00498 
1 1 1  -19    4   30 o  417.856   6.3800  471.999   14.394  466.148   19.896  478.425   20.849  415.148   8.8688  420.564   9.1741 -5.416077 12.76009 
1 1 1  -19    4   31 o  298.021   6.1773  240.351   9.8803  241.370   13.238  239.069   14.845  298.753   8.2004  297.289   9.2407 1.464569 12.35467 
1 1 1  -19    4   32 o  378.897   6.2587  388.081   12.804  382.668   17.702  394.020   18.542  376.135   8.7092  381.660   8.9908 -5.524658 12.51736 
1 1 1  -19    4   33 o  752.230   9.4525  1533.53   38.421  1541.86   54.597  1525.35   54.078  754.249   13.396  750.211   13.340 4.038208 18.90494 
1 1 1  -19    4   34 o  752.066   9.4675  1532.86   38.470  1517.92   53.888  1548.38   54.938  748.341   13.326  755.791   13.452 -7.449768 18.93507 
1 1 1  -19    4   35 o  504.094   6.9838  687.870   19.023  683.853   26.752  691.979   27.055  502.608   9.8500  505.580   9.9031 -2.972290 13.96760 
1 1 1  -19    4   36 o  214.761   6.3559  124.925   7.3700  118.991   10.413  130.883   10.433  209.638   9.1922  219.885   8.7803 -10.24651 12.71178 
1 1 1  -19    4   37 o  326.715   5.9368  288.595   10.472  280.710   14.455  297.304   15.193  322.030   8.3070  331.399   8.4838 -9.368744 11.87358 
1 1 1  -19    4   40 o  263.099   7.0910  188.356   9.7317  185.540   15.943  190.028   12.286  261.386   11.288  264.812   8.5859 -3.426117 14.18209 
1 1 1  -19    4   41 o  426.997   6.2662  494.122   14.452  501.893   20.796  486.864   20.099  430.228   8.9453  423.766   8.7773 6.462036 12.53231 
1 1 1  -19    4   42 o   78.377   12.469   17.456   5.3475   11.428   7.6184   23.309   7.5078   64.403   19.890   92.351   15.045 -27.94768 24.93882 
1 1 1  -19    4   43 o  179.578   6.4160   87.460   6.2202   82.396   8.6435   92.901   8.9584  174.182   9.1833  184.975   8.9625 -10.79332 12.83200 
1 1 1  -19    4   44 o  171.882   6.6471   80.537   6.1511   73.521   8.7738   87.319   8.6260  164.446   9.8736  179.319   8.9021 -14.87273 13.29419 
1 1 1  -19    4   45 o  322.592   5.6820  282.477   9.9044  280.984   14.029  283.960   13.985  321.736   8.0694  323.448   8.0015 -1.712067 11.36391 
1 1 1  -19    4   46 o  151.457   7.2340   62.497   5.9120   67.196   8.4695   58.031   8.2562  157.039   9.9807  145.874   10.474 11.16479 14.46793 
1 1 1  -19    4   47 o  155.700   7.0577   65.851   5.9249   62.051   8.0605   70.317   8.7388  150.847   9.8886  160.553   10.073 -9.706131 14.11540 
1 1 1  -19    4   48 o  193.539   6.1829  102.125   6.4569  107.646   9.0883   96.499   9.1751  198.876   8.4570  188.203   9.0219 10.67268 12.36585 
1 1 1  -19    4   49 o  204.478   5.9896  113.952   6.6115  107.486   9.3012  120.556   9.3997  198.573   8.6682  210.383   8.2683 -11.81032 11.97922 
1 1 1  -19    4   50 o  292.114   5.6789  232.522   8.9623  234.838   12.825  230.310   12.530  293.518   8.0860  290.709   7.9760 2.808929 11.35783 
1 1 1  -19    4   51 o  262.831   5.6494  187.452   8.0035  204.791   11.798  172.671   10.893  274.041   7.9675  251.621   8.0115 22.41939 11.29889 
1 1 1  -19    4   52 o  167.875   6.7725   77.394   6.1021   89.283   8.7608   66.192   8.5043  180.564   8.9789  155.186   10.141 25.37897 13.54505 
1 1 1  -19    4   53 o  215.935   6.0003  127.711   6.9984  126.064   10.004  129.289   9.7940  214.523   8.6298  217.348   8.3391 -2.825424 12.00056 
1 1 1  -19    4   54 o  138.766   7.5650   53.143   5.6241   63.041   8.1868   44.298   7.7395  151.172   10.022  126.361   11.335 24.81113 15.12998 
1 1 1  -19    4   55 o   58.071   13.576   9.4760   5.0896   6.3237   7.2577   12.526   7.1393   51.435   19.297   64.708   19.102 -13.27325 27.15249 
1 1 1  -19    4   56 o  123.635   8.5746   42.851   5.7158   46.087   8.0895   39.624   8.0771  128.469   11.653  118.802   12.582 9.666740 17.14916 
1 1 1  -19    4   57 o   82.087   12.436   20.036   5.4864   26.048   7.9904   14.672   7.5466   95.103   15.549   69.072   19.413 26.03107 24.87183 
1 1 1  -19    4   58 o   89.086   12.249   23.806   5.7664   21.427   8.2683   26.058   8.0462   83.392   18.798   94.781   15.710 -11.38913 24.49852 
1 1 1  -19    4   59 o  123.119   9.7889   43.718   6.3251   56.400   9.0947   31.837   8.8025  141.468   11.897  104.770   15.548 36.69882 19.57775 
1 1 1  -19    4   60 o  203.184   6.7861  115.154   7.4501  113.956   10.568  116.337   10.504  202.080   9.6778  204.288   9.5156 -2.208160 13.57229 
1 1 1  -19    4   61 o   41.235   12.959  -1.9935   5.9747   3.1288   8.5533  -6.8744   8.3494   46.889   19.763   35.582   16.766 11.30765 25.91708 
1 1 1  -19    4   62 o   62.506   15.100   12.667   6.1187   12.818   8.9531   12.534   8.3815   62.800   21.698   62.212   21.005 0.5880852 30.19996 
1 1 1  -19    4   63 o  195.168   7.3374  107.425   7.7377  106.509   10.872  108.366   11.015  194.343   10.353  195.992   10.400 -1.649323 14.67471 
1 1 1  -19    4   64 o  153.024   12.556   75.349   10.278   63.153   14.124   89.077   14.984  138.225   18.909  167.824   16.523 -29.59924 25.11124 
1 1 1  -19    4   66 o  145.453   13.848   73.264   10.759   82.703   15.145   63.649   15.287  157.758   17.766  133.147   21.247 24.61130 27.69595 
1 1 1  -19    5    1 o  233.731   5.1231  145.676   6.1970  140.971   7.6660  154.549   10.527  228.376   6.2120  239.087   8.1484 -10.71126 10.24621 
1 1 1  -19    5    2 o  242.077   5.8283  158.458   7.6229  155.338   10.781  161.577   10.780  239.692   8.3240  244.462   8.1602 -4.769348 11.65668 
1 1 1  -19    5    3 o  892.706   15.321  2163.60   73.906  2157.43  104.308  2169.82  104.730  891.430   21.654  893.981   21.680 -2.550354 30.64182 
1 1 1  -19    5    4 o  151.488   5.9761   62.018   4.8684   62.365   7.2589   61.734   6.5635  151.868   8.8454  151.109   8.0382 0.7591705 11.95216 
1 1 1  -19    5    5 f  920.036   15.788  2296.58   78.433  2244.59  108.444  2353.60  113.577  909.182   22.073  930.890   22.579 -21.70770 31.57591 
1 1 1  -19    5    6 o  422.159   5.7471  481.852   13.110  479.221   18.564  484.469   18.516  421.008   8.1602  423.309   8.0949 -2.301331 11.49416 
1 1 1  -19    5    7 o  596.997   7.5496  964.002   24.354  955.107   34.277  973.069   34.608  594.216   10.675  599.778   10.678 -5.561401 15.09923 
1 1 1  -19    5    8 o  311.482   5.9462  266.997   9.4475  247.748   15.998  277.306   11.707  302.668   9.7813  320.295   6.7641 -17.62741 11.89233 
1 1 1  -19    5    9 o  343.424   7.1929  318.565   13.332  327.027   19.430  311.036   18.327  347.723   10.341  339.126   10.001 8.596436 14.38583 
1 1 1  -19    5   10 o  685.476   12.070  1272.55   44.697  1251.13   62.306  1295.27   64.157  679.546   16.968  691.407   17.172 -11.86115 24.14087 
1 1 1  -19    5   11 o  662.417   8.2732  1184.99   29.577  1147.59   40.613  1227.22   43.159  651.319   11.539  673.515   11.859 -22.19513 16.54639 
1 1 1  -19    5   12 o  271.235   4.6105  198.555   6.7489  204.340   9.8441  193.424   9.2706  274.955   6.6256  267.514   6.4132 7.441559 9.221040 
1 1 1  -19    5   13 o  574.658   7.3281  893.060   22.755  891.527   32.235  894.583   32.127  574.165   10.390  575.151   10.337 -0.9861450 14.65617 
1 1 1  -19    5   14 o  751.775   9.2677  1529.09   37.647  1533.97   53.503  1524.31   52.983  752.958   13.150  750.591   13.063 2.367310 18.53543 
1 1 1  -19    5   15 o  773.742   9.5165  1619.52   39.784  1601.62   55.713  1638.14   56.828  769.385   13.401  778.098   13.516 -8.712646 19.03296 
1 1 1  -19    5   16 o  311.668   4.9187  262.253   8.2789  250.814   11.503  274.547   11.925  304.625   6.9879  318.712   6.9242 -14.08792 9.837420 
1 1 1  -19    5   17 o  632.432   7.9756  1081.57   27.254  1070.09   38.224  1093.45   38.869  629.018   11.246  635.845   11.313 -6.827209 15.95122 
1 1 1  -19    5   18 o  372.207   5.4785  374.366   11.017  368.289   15.392  380.749   15.774  369.112   7.7172  375.302   7.7783 -6.190125 10.95708 
1 1 1  -19    5   19 o  738.473   9.1536  1475.25   36.522  1458.11   51.137  1493.11   52.179  734.098   12.891  742.848   12.999 -8.749512 18.30718 
1 1 1  -19    5   20 o  492.948   6.6031  656.880   17.586  648.742   24.599  665.387   25.151  489.828   9.2935  496.068   9.3828 -6.240356 13.20629 
1 1 1  -19    5   21 o  1018.97   12.321  2812.02   67.828  2777.22   94.723  2848.65   97.169  1012.52   17.313  1025.42   17.536 -12.90314 24.64248 
1 1 1  -19    5   22 o  406.878   5.8562  446.537   12.857  429.392   17.610  466.105   18.814  398.537   8.1773  415.219   8.3851 -16.68167 11.71231 
1 1 1  -19    5   23 o  126.304   6.6783   43.106   4.5557   42.184   6.3223   44.102   6.5704  124.901   9.3674  127.708   9.5211 -2.806145 13.35657 
1 1 1  -19    5   24 o  147.798   6.3602   58.582   5.0443   55.227   6.6796   63.036   7.6952  142.917   8.6492  152.678   9.3273 -9.760513 12.72034 
1 1 1  -19    5   25 o  550.065   7.2218  818.301   21.463  810.241   30.082  826.659   30.633  547.309   10.172  552.821   10.255 -5.512085 14.44361 
1 1 1  -19    5   26 o  399.833   5.9469  432.118   12.840  427.682   17.790  436.940   18.550  397.698   8.2781  401.969   8.5402 -4.270935 11.89378 
1 1 1  -19    5   27 f  463.569   6.4768  581.174   16.224  584.710   23.060  577.709   22.829  464.965   9.1782  462.174   9.1409 2.790131 12.95354 
1 1 1  -19    5   28 o  313.635   5.7332  266.053   9.7086  279.602   13.779  252.695   13.681  321.572   7.9297  305.698   8.2823 15.87430 11.46633 
1 1 1  -19    5   30 o   72.246   12.750   13.891   6.2729   26.324   8.3503  -2.2137   9.5037   98.540   15.682   45.952   20.109 52.58875 25.50056 
1 1 1  -19    5   31 o  286.388   6.2260  221.778   9.5545  221.379   12.712  222.296   14.486  286.112   8.2220  286.665   9.3516 -0.5523987 12.45201 
1 1 1  -19    5   32 o  208.789   6.8882  118.580   7.7302  127.384   10.681  108.895   11.202  216.990   9.1090  200.587   10.335 16.40292 13.77644 
1 1 1  -19    5   33 o  238.163   6.5272  154.440   8.3457  165.376   11.450  142.044   12.190  247.240   8.5704  229.087   9.8472 18.15245 13.05442 
1 1 1  -19    5   34 o  201.367   6.7224  109.726   7.3087  110.077   10.561  109.402   10.125  201.671   9.6907  201.064   9.3194 0.6065216 13.44475 
1 1 1  -19    5   35 o  220.420   6.4394  131.621   7.6628  134.828   10.697  128.239   10.983  223.191   8.8692  217.648   9.3381 5.542770 12.87883 
1 1 1  -19    5   36 o  393.665   6.1467  418.895   13.065  402.851   18.048  436.560   18.938  385.761   8.6580  401.570   8.7273 -15.80920 12.29337 
1 1 1  -19    5   37 o  526.758   10.230  753.568   29.107  772.748   41.844  735.586   40.516  533.236   14.522  520.279   14.411 12.95691 20.45905 
1 1 1  -19    5   40 o  318.948   5.7709  275.130   9.9283  283.432   14.563  267.920   13.571  323.417   8.3332  314.479   7.9858 8.937531 11.54188 
1 1 1  -19    5   41 o   35.716   11.603  -5.3242   5.1265  -6.3093   7.2941  -4.3627   7.2065   34.836   16.170   36.596   16.645 -1.759514 23.20550 
1 1 1  -19    5   42 o  275.499   5.7036  205.452   8.4753  211.258   12.434  200.413   11.583  279.106   8.2442  271.892   7.8839 7.214813 11.40712 
1 1 1  -19    5   43 o  309.257   5.6985  259.471   9.5164  259.497   13.713  259.446   13.217  309.248   8.2062  309.265   7.9087 -0.1647949E-01 11.39696 
1 1 1  -19    5   44 o  269.089   5.6440  196.594   8.2008  190.625   11.694  202.369   11.503  265.041   8.1654  273.137   7.7939 -8.095612 11.28802 
1 1 1  -19    5   45 o  170.150   6.7017   78.783   6.1597   80.444   8.6666   77.087   8.7564  171.982   9.3256  168.319   9.6274 3.662994 13.40347 
1 1 1  -19    5   46 o  243.294   5.7690  160.921   7.5708  148.632   10.622  173.609   10.793  233.806   8.4074  252.782   7.9018 -18.97592 11.53793 
1 1 1  -19    5   47 o   60.806   13.665   10.046   5.0754   12.405   7.4896   8.0420   6.9018   65.973   19.588   55.639   19.060 10.33429 27.33051 
1 1 1  -19    5   48 o  153.593   7.2345   64.219   5.9902   70.709   8.7426   58.477   8.2239  160.909   10.055  146.276   10.404 14.63339 14.46894 
1 1 1  -19    5   49 o  340.508   5.8192  315.806   10.701  319.728   15.432  312.174   14.852  342.505   8.3383  338.511   8.1193 3.993805 11.63833 
1 1 1  -19    5   50 o   63.142   13.422   11.053   5.1853   16.151   7.4781   6.3320   7.1962   74.140   18.676   52.144   19.283 21.99614 26.84420 
1 1 1  -19    5   51 o  185.940   6.3572   93.862   6.3623  102.803   9.5237   86.656   8.5502  193.852   9.0918  178.027   8.8880 15.82486 12.71441 
1 1 1  -19    5   52 f   49.849   13.465   5.2167   5.1260   2.9796   7.4662   7.2114   7.0502   46.372   18.902   53.326   19.183 -6.953346 26.93070 
1 1 1  -19    5   53 o  231.473   6.0247  147.170   7.5113  140.105   10.897  153.566   10.368  226.013   8.9225  236.933   8.0979 -10.91965 12.04939 
1 1 1  -19    5   54 f  135.727   8.2786   51.306   6.0592   50.314   8.8027   52.199   8.3530  134.336   12.126  137.117   11.274 -2.780914 16.55730 
1 1 1  -19    5   55 o   73.958   13.824   16.649   5.6190   15.416   8.0186   17.838   7.8763   71.198   20.011   76.717   19.079 -5.518311 27.64856 
1 1 1  -19    5   56 o  114.820   9.2635   37.264   5.7145   41.976   8.1245   32.650   8.0392  122.309   12.293  107.331   13.861 14.97782 18.52696 
1 1 1  -19    5   57 o  127.229   8.8742   45.940   6.0465   39.452   8.5979   52.289   8.5048  117.864   13.500  136.595   11.522 -18.73161 17.74849 
1 1 1  -19    5   58 o   49.492   14.016   4.7225   5.7153   6.4622   8.2623   3.1264   7.9141   52.465   20.363   46.518   19.264 5.946930 28.03129 
1 1 1  -19    5   59 o   45.958   13.567   2.3806   5.6839   5.3216   8.2619  -0.2622   7.8319   50.384   20.115   41.531   18.212 8.853352 27.13496 
1 1 1  -19    5   60 o   60.991   14.871   11.357   5.9497   11.865   8.3742   10.840   8.4546   61.985   20.996   59.997   21.065 1.987999 29.74176 
1 1 1  -19    5   61 o   76.725   13.847   19.022   6.2061   9.9140   8.6043   28.898   8.9599   57.412   21.111   96.037   17.925 -38.62481 27.69395 
1 1 1  -19    5   62 o   61.810   15.240   11.853   6.4337   7.7097   8.9886   16.206   9.2128   54.024   21.164   69.595   21.934 -15.57093 30.48023 
1 1 1  -19    5   63 o  205.363   7.5207  119.582   8.3189  117.095   12.178  121.757   11.391  202.934   11.106  207.792   10.145 -4.857986 15.04145 
1 1 1  -19    5   64 o   67.952   18.222   19.303   9.2123   20.550   13.175   18.110   12.886   69.579   26.020   66.325   25.518 3.253891 36.44415 
1 1 1  -19    5   66 o   43.714   14.690  -4.7338   9.4364  -5.4572   13.593  -4.0608   13.110   43.594   20.787   43.834   20.761 -0.2400665 29.37954 
1 1 1  -19    6    1 o  377.058   7.3986  384.325   15.066  390.766   21.744  378.378   20.894  380.090   10.587  374.026   10.338 6.063293 14.79729 
1 1 1  -19    6    2 o  349.465   7.0503  330.303   13.313  329.279   18.927  331.306   18.729  348.927   10.038  350.004   9.9025 -1.077057 14.10061 
1 1 1  -19    6    3 o  862.426   12.793  2033.10   56.991  1957.21   94.912  2075.90   71.269  849.302   20.681  875.551   15.064 -26.24945 25.58549 
1 1 1  -19    6    4 o  506.653   6.6101  694.070   18.093  698.276   25.882  690.051   25.303  508.150   9.4259  505.156   9.2695 2.994263 13.22016 
1 1 1  -19    6    5 o  438.609   5.9264  519.544   14.031  532.255   20.409  508.152   19.322  443.685   8.5125  433.532   8.2479 10.15289 11.85284 
1 1 1  -19    6    6 o  280.802   4.6177  213.111   7.0008  213.539   10.114  212.717   9.7001  281.070   6.6593  280.534   6.3989 0.5367737 9.235364 
1 1 1  -19    6    8 o  526.098   9.6823  748.512   27.505  764.414   39.825  734.009   38.032  531.424   13.868  520.772   13.515 10.65247 19.36451 
1 1 1  -19    6    9 o  498.598   9.3056  672.760   25.071  670.721   35.568  674.775   35.345  497.843   13.221  499.353   13.099 -1.509705 18.61125 
1 1 1  -19    6   10 o  966.647   14.408  2517.91   70.315  2489.47   85.160  2578.83  124.639  958.746   16.438  974.547   23.668 -15.80176 28.81637 
1 1 1  -19    6   11 o  238.899   6.3307  154.254   8.1725   0.0000   0.0000  154.254   8.1725  ?   ?   238.899   6.3307      ?      ? 
1 1 1  -19    6   12 o  450.811   6.0821  549.291   14.814  539.265   20.760  559.693   21.147  446.621   8.6020  455.001   8.6009 -8.380432 12.16429 
1 1 1  -19    6   13 o  338.155   5.1057  309.141   9.3275  303.964   13.244  314.236   13.139  335.343   7.3089  340.966   7.1310 -5.622742 10.21130 
1 1 1  -19    6   14 o  475.716   6.3440  611.627   16.302  618.532   23.430  605.149   22.696  478.314   9.0652  473.117   8.8775 5.196716 12.68810 
1 1 1  -19    6   15 f  710.399   8.8254  1365.17   33.878  1366.06   48.062  1364.29   47.761  710.628   12.516  710.171   12.446 0.4572144 17.65083 
1 1 1  -19    6   16 o  344.810   5.2365  321.196   9.7539  311.388   13.622  331.516   13.973  339.411   7.4272  350.210   7.3837 -10.79901 10.47293 
1 1 1  -19    6   17 o  532.717   6.9539  767.380   20.017  763.634   28.337  771.112   28.281  531.418   9.8680  534.016   9.8004 -2.598572 13.90777 
1 1 1  -19    6   18 o  544.140   7.0822  799.776   20.809  778.037   28.766  823.638   30.139  536.397   9.9245  551.883   10.106 -15.48651 14.16443 
1 1 1  -19    6   19 o  641.865   8.1078  1114.41   28.121  1114.22   39.823  1114.60   39.716  641.810   11.483  641.921   11.450 -0.1109009 16.21567 
1 1 1  -19    6   20 o  847.561   10.377  1944.04   47.516  1967.60   68.093  1921.68   66.337  852.553   14.781  842.568   14.570 9.984558 20.75463 
1 1 1  -19    6   21 o  381.103   5.6141  392.559   11.560  397.495   16.500  387.799   16.201  383.455   7.9630  378.751   7.9160 4.704102 11.22815 
1 1 1  -19    6   22 o  1002.73   12.142  2723.65   65.786  2700.43   92.326  2747.60   93.761  998.398   17.113  1007.06   17.230 -8.664795 24.28432 
1 1 1  -19    6   23 o  293.529   5.1814  232.722   8.2124  220.480   11.452  245.682   11.783  285.587   7.4210  301.471   7.2330 -15.88400 10.36282 
1 1 1  -19    6   24 o  406.509   5.9178  446.548   12.995  437.174   18.082  456.560   18.687  402.102   8.3217  410.917   8.4160 -8.815399 11.83558 
1 1 1  -19    6   25 o  260.898   5.3745  183.058   7.5545  171.549   10.214  196.956   11.225  251.895   7.5041  269.900   7.6962 -18.00462 10.74910 
1 1 1  -19    6   26 o  604.190   7.8051  987.552   25.479  976.481   35.667  999.089   36.409  600.736   10.987  607.643   11.088 -6.906189 15.61012 
1 1 1  -19    6   27 o  295.309   5.7573  235.333   9.1749  227.153   12.583  244.619   13.406  289.844   8.0341  300.774   8.2487 -10.93060 11.51466 
1 1 1  -19    6   28 o  536.690   7.2232  779.231   20.947  777.868   29.507  780.616   29.742  536.219   10.184  537.160   10.247 -0.9417725 14.44644 
1 1 1  -19    6   29 o  659.536   8.4814  1176.54   30.204  1152.59   41.757  1202.82   43.743  652.519   11.843  666.553   12.145 -14.03302 16.96288 
1 1 1  -19    6   30 o  350.197   6.0405  331.284   11.416  324.489   15.680  338.947   16.651  346.388   8.3773  354.007   8.7046 -7.618866 12.08098 
1 1 1  -19    6   31 o  627.953   8.1609  1067.38   27.690  1057.75   38.843  1077.32   39.483  625.079   11.500  630.828   11.583 -5.748962 16.32190 
1 1 1  -19    6   32 o  602.163   7.9227  980.323   25.748  952.372   35.377  1011.81   37.547  593.070   11.039  611.256   11.367 -18.18652 15.84541 
1 1 1  -19    6   33 o  513.290   7.0848  712.271   19.637  690.110   27.162  736.539   28.424  504.942   9.9548  521.639   10.084 -16.69711 14.16968 
1 1 1  -19    6   34 o  536.569   7.2753  779.527   21.094  782.248   29.970  776.856   29.693  537.493   10.319  535.644   10.259 1.848877 14.55056 
1 1 1  -19    6   35 o  471.036   6.7123  600.615   17.079  608.527   24.531  593.173   23.793  474.036   9.5768  468.036   9.4077 5.999908 13.42466 
1 1 1  -19    6   36 o  243.631   6.0110  160.687   7.9132  159.429   11.202  161.940   11.180  242.677   8.5423  244.585   8.4593 -1.908279 12.02204 
1 1 1  -19    6   39 o  256.675   8.4425  178.139   11.665  201.531   17.108  157.815   15.947  272.383   11.624  240.966   12.247 31.41719 16.88496 
1 1 1  -19    6   40 o  180.814   6.6451   88.678   6.4924   87.646   9.1667   89.717   9.1967  179.756   9.4372  181.872   9.3579 -2.116608 13.29024 
1 1 1  -19    6   41 o  105.061   10.005   30.212   5.6320   29.375   8.4672   30.877   7.5424  103.678   15.113  106.444   13.113 -2.765755 20.00920 
1 1 1  -19    6   42 o  144.234   7.6080   56.616   5.9274   55.779   8.4597   57.423   8.3075  143.170   10.935  145.297   10.581 -2.127258 15.21604 
1 1 1  -19    6   43 o   62.737   13.907   10.844   5.2376   10.190   7.8527   11.369   7.0298   61.777   20.320   63.696   18.992 -1.918858 27.81318 
1 1 1  -19    6   44 o  696.801   8.9182  1326.14   33.575  1337.47   47.943  1315.24   47.035  699.680   12.681  693.922   12.544 5.757507 17.83646 
1 1 1  -19    6   45 o  148.015   7.5176   59.836   5.9953   54.447   8.4558   65.283   8.5017  141.245   11.079  154.786   10.165 -13.54088 15.03518 
1 1 1  -19    6   46 o  421.888   6.3242  484.234   14.410  492.152   20.784  476.904   19.996  425.172   9.0464  418.605   8.8400 6.566467 12.64843 
1 1 1  -19    6   47 o  180.258   6.5347   88.831   6.3438   83.289   9.1517   93.957   8.8016  174.752   9.6915  185.765   8.7682 -11.01292 13.06932 
1 1 1  -19    6   48 o  248.441   5.7848  167.777   7.7601  175.101   11.239  161.104   10.728  253.610   8.2010  243.272   8.1609 10.33849 11.56959 
1 1 1  -19    6   49 o  211.890   6.0467  122.544   6.9159  120.998   9.9780  123.974   9.5945  210.550   8.7700  213.229   8.3269 -2.679199 12.09341 
1 1 1  -19    6   50 o  101.124   9.8478   28.607   5.3344   26.214   7.8543   30.657   7.2678   96.951   14.992  105.297   12.773 -8.345810 19.69565 
1 1 1  -19    6   51 o  116.798   12.424   37.767   7.8415   0.0000   0.0000   37.767   7.8415  ?   ?   116.798   12.424      ?      ? 
1 1 1  -19    6   52 o  157.936   7.3564   68.262   6.2565   75.190   9.3151   62.568   8.4448  165.177   10.436  150.695   10.371 14.48245 14.71284 
1 1 1  -19    6   53 o   78.505   12.839   18.773   5.3845   14.231   7.9738   22.580   7.3003   68.949   20.141   88.061   15.928 -19.11197 25.67757 
1 1 1  -19    6   54 o   63.497   13.840   11.992   5.3337   8.8811   7.8333   14.681   7.2828   57.216   20.258   69.778   18.864 -12.56226 27.68085 
1 1 1  -19    6   55 o   67.003   13.748   13.372   5.3622   17.119   7.7938   10.004   7.3891   75.024   19.158   58.982   19.724 16.04247 27.49612 
1 1 1  -19    6   56 o  146.581   7.9607   59.988   6.2892   60.059   9.2286   59.927   8.5937  146.490   11.658  146.672   10.843 -0.1818695 15.92133 
1 1 1  -19    6   57 o   91.911   12.432   25.432   5.9350   26.453   8.7649   24.567   8.0653   93.421   18.016   90.401   17.138 3.019531 24.86478 
1 1 1  -19    6   58 o  199.727   6.5760  110.322   7.0887  115.194   10.338  105.999   9.7389  203.834   9.3857  195.621   9.2131 8.213623 13.15191 
1 1 1  -19    6   59 o  151.302   7.8782   64.562   6.3831   63.513   9.6406   65.380   8.5175  149.770   11.912  152.834   10.313 -3.063873 15.75642 
1 1 1  -19    6   60 o  124.699   9.3099   44.675   6.2284   44.206   9.3393   45.050   8.3585  123.644   13.978  125.753   12.301 -2.109375 18.61981 
1 1 1  -19    6   61 o   56.274   14.833   9.4718   6.0627   7.9473   9.3044   10.597   7.9924   54.422   21.466   58.126   20.476 -3.704304 29.66555 
1 1 1  -19    6   62 o  123.360   10.283   44.737   6.8335   44.133   10.005   45.265   9.3556  122.152   15.158  124.569   13.899 -2.417320 20.56515 
1 1 1  -19    6   63 o  129.539   13.177   52.672   9.2055   57.297   13.380   48.514   12.685  135.245   18.308  123.834   18.957 11.41040 26.35409 
1 1 1  -19    6   64 o  160.724   11.581   81.386   9.9853   95.135   14.703   69.617   13.603  174.335   15.608  147.112   17.112 27.22247 23.16119 
1 1 1  -19    6   65 o   49.940   16.328   0.4702   10.177  -0.4236   13.153   1.8032   16.062   47.594   21.958   52.285   24.172 -4.690987 32.65586 
1 1 1  -19    7    1 o  342.738   7.2258  317.535   13.383   0.0000   0.0000  317.535   13.383  ?   ?   342.738   7.2258      ?      ? 
1 1 1  -19    7    2 o  521.886   6.7947  736.448   19.161  727.230   26.966  745.847   27.231  518.587   9.6230  525.185   9.5953 -6.597473 13.58937 
1 1 1  -19    7    4 o  1027.10   12.420  2858.09   68.925  2874.53   98.241  2842.14   96.725  1030.00   17.651  1024.21   17.477 5.791382 24.83947 
1 1 1  -19    7    5 o  970.908   11.756  2553.28   61.679  2553.35   87.355  2553.21   87.099  970.918   16.650  970.898   16.602 0.2026367E-01 23.51264 
1 1 1  -19    7    6 o  924.122   11.232  2312.09   56.079  2285.46   78.522  2339.81   80.117  918.700   15.817  929.543   15.950 -10.84290 22.46316 
1 1 1  -19    7    7 f  1256.47   18.522  4284.31  118.125  4310.81  206.279  4271.38  144.089  1258.07   30.343  1254.87   21.249 3.207642 37.04378 
1 1 1  -19    7    8 o  503.150   9.4160  684.169   25.569  701.576   37.272  668.694   35.142  509.174   13.546  497.125   13.082 12.04926 18.83190 
1 1 1  -19    7    9 o  240.669   6.6155  156.672   8.5877  155.518   12.505  157.703   11.814  239.824   9.6493  241.514   9.0526 -1.689896 13.23100 
1 1 1  -19    7   10 o  354.985   5.2646  340.673   10.097  334.901   14.313  346.392   14.247  351.989   7.5249  357.980   7.3648 -5.990936 10.52922 
1 1 1  -19    7   11 o  868.872   10.604  2042.79   49.776  2015.96   69.585  2070.91   71.233  863.038   14.921  874.706   15.071 -11.66821 21.20749 
1 1 1  -19    7   12 o  740.532   9.1711  1483.59   36.699  1480.60   51.915  1486.57   51.886  739.785   12.987  741.278   12.953 -1.492798 18.34229 
1 1 1  -19    7   13 o  376.209   5.4647  382.590   11.108  374.973   15.684  390.253   15.733  372.451   7.7931  379.967   7.6628 -7.515900 10.92936 
1 1 1  -19    7   14 o  565.326   7.2821  864.184   22.243  866.215   31.702  862.216   31.217  565.976   10.366  564.675   10.231 1.301697 14.56411 
1 1 1  -19    7   15 o   99.030   6.7613   26.278   3.5982   28.799   5.4492   24.328   4.7914  103.202   9.7714   94.857   9.3477 8.344818 13.52256 
1 1 1  -19    7   16 o  575.721   7.4134  896.371   23.063  890.594   32.574  902.178   32.658  573.859   10.505  577.582   10.464 -3.722351 14.82689 
1 1 1  -19    7   17 o   78.876   8.9569   16.823   3.8164   16.273   5.3308   17.402   5.4661   77.553   12.721   80.199   12.613 -2.645737 17.91376 
1 1 1  -19    7   18 o  394.664   5.6726  421.064   12.097  414.061   17.059  428.147   17.156  391.362   8.0665  397.966   7.9778 -6.603882 11.34518 
1 1 1  -19    7   19 o   60.659   11.522   10.294   3.8975   12.282   5.4958   8.2818   5.5283   66.030   15.643   55.288   16.921 10.74281 23.04416 
1 1 1  -19    7   20 o  807.808   9.9419  1765.93   43.394  1747.37   60.853  1785.14   61.896  803.494   14.016  812.122   14.104 -8.628296 19.88389 
1 1 1  -19    7   21 o  619.811   7.9198  1039.02   26.523  1027.56   37.239  1050.82   37.787  616.343   11.181  623.278   11.219 -6.935181 15.83957 
1 1 1  -19    7   22 o  637.573   8.1177  1099.01   27.955  1076.29   38.842  1123.43   40.266  630.746   11.396  644.401   11.564 -13.65442 16.23546 
1 1 1  -19    7   23 o  352.550   5.6073  336.030   10.682  334.304   15.042  337.787   15.173  351.637   7.9161  353.463   7.9438 -1.825989 11.21460 
1 1 1  -19    7   24 o  455.012   6.3985  558.929   15.715  539.434   21.616  580.786   22.888  446.616   8.9566  463.409   9.1401 -16.79309 12.79698 
1 1 1  -19    7   25 o  749.535   9.3614  1520.50   37.904  1496.98   52.816  1545.48   54.430  743.571   13.145  755.498   13.333 -11.92627 18.72288 
1 1 1  -19    7   26 o  656.226   8.3782  1164.83   29.699  1144.02   41.335  1187.05   42.699  650.175   11.765  662.276   11.931 -12.10052 16.75638 
1 1 1  -19    7   27 o  601.925   7.8680  980.412   25.591  980.197   36.246  980.627   36.137  601.857   11.145  601.992   11.109 -0.1348267 15.73593 
1 1 1  -19    7   28 f  427.017   6.4389  493.111   14.856  501.546   21.187  484.952   20.836  430.608   9.1056  423.425   9.1064 7.183441 12.87783 
1 1 1  -19    7   29 o  677.378   8.6763  1241.39   31.741  1216.79   44.031  1268.01   45.800  670.410   12.154  684.347   12.385 -13.93744 17.35264 
1 1 1  -19    7   30 o  407.670   6.3693  447.667   13.985  427.765   18.874  471.891   20.824  397.678   8.7831  417.662   9.2266 -19.98370 12.73866 
1 1 1  -19    7   31 o  587.978   7.7850  934.403   24.705  904.741   33.939  967.835   36.032  578.086   10.865  597.870   11.153 -19.78455 15.57009 
1 1 1  -19    7   32 o  583.317   7.7288  921.229   24.360  913.891   34.227  928.761   34.678  580.967   10.903  585.668   10.958 -4.701111 15.45766 
1 1 1  -19    7   33 o   84.883   13.496   20.451   6.0748   24.680   8.6086   16.256   8.5736   93.785   17.634   75.980   20.437 17.80446 26.99286 
1 1 1  -19    7   34 o  483.226   6.8213  632.290   17.811  626.253   25.133  638.381   25.245  480.906   9.6714  485.546   9.6220 -4.639740 13.64254 
1 1 1  -19    7   35 o  239.019   6.1303  154.810   7.9079  158.265   10.991  151.101   11.386  241.801   8.4119  236.237   8.9196 5.563477 12.26053 
1 1 1  -19    7   36 o  625.042   11.700  1063.73   39.516  1055.86   55.853  1071.62   55.915  622.711   16.598  627.373   16.493 -4.662476 23.39963 
1 1 1  -19    7   39 o  162.012   7.2206   71.354   6.3103   67.625   9.0184   74.931   8.8327  157.832   10.574  166.192   9.8355 -8.359985 14.44129 
1 1 1  -19    7   40 o  253.989   5.9916  174.941   8.2122  173.854   11.907  175.928   11.341  253.212   8.7021  254.766   8.2383 -1.553421 11.98318 
1 1 1  -19    7   41 o  197.597   6.3304  105.613   6.7433  116.370   9.8257   96.036   9.2715  207.093   8.7803  188.100   9.1216 18.99269 12.66085 
1 1 1  -19    7   42 o  249.583   5.7889  168.921   7.8005  159.252   10.897  179.081   11.171  242.245   8.3249  256.922   8.0462 -14.67625 11.57783 
1 1 1  -19    7   43 o  422.071   6.3214  483.827   14.417  480.060   20.338  487.632   20.441  420.417   8.9522  423.726   8.9274 -3.308807 12.64283 
1 1 1  -19    7   44 o  177.283   6.7479   85.562   6.4594   83.600   9.2485   87.430   9.0255  175.269   9.7651  179.298   9.3155 -4.028503 13.49578 
1 1 1  -19    7   45 o  100.090   10.644   27.773   5.7009   26.286   8.5388   28.969   7.6577   97.501   16.207  102.680   13.801 -5.178589 21.28707 
1 1 1  -19    7   46 o  167.321   6.9392   76.287   6.2556   77.110   9.2292   75.588   8.5081  168.100   10.160  166.543   9.4541 1.557465 13.87848 
1 1 1  -19    7   47 o  270.634   5.7315  198.447   8.3461  207.693   12.498  191.004   11.213  276.238   8.3724  265.029   7.8297 11.20865 11.46307 
1 1 1  -19    7   48 o  335.970   5.8085  307.435   10.542  311.158   15.115  303.908   14.711  337.928   8.2775  334.011   8.1509 3.917664 11.61698 
1 1 1  -19    7   49 o  147.397   7.2266   59.590   5.7472   58.609   8.3175   60.486   7.9505  146.170   10.530  148.623   9.8997 -2.452896 14.45311 
1 1 1  -19    7   50 o  117.241   9.1514   38.851   5.6380   29.142   8.0709   48.105   7.8791  102.241   14.609  132.240   11.026 -29.99882 18.30274 
1 1 1  -19    7   51 o  135.524   11.735   50.803   8.5937   50.803   8.5937   0.0000   0.0000  135.524   11.735  ?   ?       ?      ? 
1 1 1  -19    7   52 o   88.529   11.731   22.816   5.3799   23.551   8.0670   22.227   7.2200   89.576   17.292   87.482   15.857 2.094505 23.46207 
1 1 1  -19    7   53 o   65.655   13.845   12.843   5.2768   13.276   7.6849   12.456   7.2586   66.619   19.855   64.691   19.300 1.927299 27.69022 
1 1 1  -19    7   54 o  371.259   6.0511  378.637   12.135  374.050   17.343  383.035   16.984  368.956   8.6989  373.562   8.4139 -4.606598 12.10223 
1 1 1  -19    7   55 o  136.471   8.0866   52.346   5.9111   47.849   8.6940   56.212   8.0609  130.635   12.316  142.307   10.483 -11.67256 16.17315 
1 1 1  -19    7   56 o  134.414   8.3596   50.531   6.0615   53.401   8.8944   48.041   8.2828  137.920   11.934  130.908   11.709 7.012024 16.71927 
1 1 1  -19    7   57 o  139.140   8.2033   54.727   6.1272   49.696   8.8768   59.304   8.4680  132.620   12.387  145.659   10.759 -13.03922 16.40663 
1 1 1  -19    7   58 o  173.236   7.2156   82.694   6.6756   89.831   10.415   77.718   8.6970  179.212   10.755  167.260   9.6225 11.95143 14.43112 
1 1 1  -19    7   59 o  121.260   9.5272   42.503   6.1500   40.546   9.3919   43.972   8.1373  118.102   14.717  124.418   12.103 -6.316162 19.05442 
1 1 1  -19    7   60 o  196.872   6.8685  108.626   7.2895  107.987   10.660  109.187   9.9904  196.072   10.061  197.671   9.3530 -1.598724 13.73703 
1 1 1  -19    7   61 o  188.864   7.5231  101.516   7.6452   95.612   11.100  106.845   10.545  183.121   11.218  194.606   10.028 -11.48535 15.04629 
1 1 1  -19    7   62 o  142.636   9.7618   58.765   7.4912   66.652   11.131   52.235   10.128  151.468   13.599  133.803   14.008 17.66435 19.52361 
1 1 1  -19    7   63 o   78.061   18.328   24.563   9.0357   22.658   12.539   26.622   13.032   75.114   25.691   81.007   26.147 -5.893059 36.65638 
1 1 1  -19    7   64 o   73.969   16.724   15.479   9.7707  -5.8694   13.195   41.396   14.538   44.505   21.003  103.433   26.031 -58.92788 33.44812 
1 1 1  -19    7   65 o   61.114   16.623   7.2758   9.7398   31.104   14.109 -14.4144   13.462   83.261   27.230   38.967   19.073 44.29342 33.24510 
1 1 1  -19    8    1 o  822.110   10.088  1829.00   44.815  1814.82   63.025  1843.50   63.736  818.891   14.243  825.330   14.291 -6.438965 20.17675 
1 1 1  -19    8    2 o  430.195   5.9989  499.915   13.939  482.444   19.411  518.519   20.030  422.440   8.5034  437.950   8.4639 -15.51074 11.99772 
1 1 1  -19    8    3 o  1052.72   12.708  3002.21   72.291  2997.45  102.216  3006.96  102.253  1051.89   17.983  1053.56   17.961 -1.671631 25.41624 
1 1 1  -19    8    4 o  691.220   8.6372  1292.34   32.259  1279.02   45.340  1306.00   45.908  687.613   12.203  694.827   12.227 -7.214722 17.27431 
1 1 1  -19    8    5 o  661.862   8.3178  1184.85   29.746  1188.53   42.358  1181.28   41.783  662.870   11.826  660.854   11.700 2.015747 16.63564 
1 1 1  -19    8    6 o  369.244   6.8120  363.985   12.441  380.180   23.005  357.290   14.791  374.922   11.355  363.565   7.5286 11.35635 13.62402 
1 1 1  -19    8    7 o  392.984   8.0521  417.505   17.094  404.730   23.913  430.856   24.446  386.837   11.440  399.131   11.335 -12.29413 16.10410 
1 1 1  -19    8    8 o  382.979   7.9736  395.982   16.486  375.901   22.792  418.018   23.876  372.812   11.314  393.146   11.239 -20.33374 15.94718 
1 1 1  -19    8    9 o  375.376   5.5020  380.786   11.158  371.245   15.650  390.651   15.914  370.594   7.8150  380.158   7.7468 -9.564514 11.00393 
1 1 1  -19    8   10 o  772.153   9.5265  1613.01   39.747  1599.06   55.872  1627.31   56.555  768.773   13.450  775.533   13.495 -6.759460 19.05307 
1 1 1  -19    8   11 o  772.215   9.5306  1613.22   39.766  1596.01   55.803  1630.97   56.682  768.034   13.446  776.395   13.511 -8.361084 19.06121 
1 1 1  -19    8   12 o  610.121   7.7808  1006.21   25.644  986.227   35.727  1027.45   36.832  603.878   10.949  616.363   11.059 -12.48431 15.56159 
1 1 1  -19    8   13 o  661.294   8.3287  1182.43   29.755  1161.87   41.521  1204.13   42.660  655.391   11.724  667.196   11.833 -11.80560 16.65739 
1 1 1  -19    8   14 o  937.393   11.411  2378.82   57.789  2350.07   80.789  2408.94   82.697  931.606   16.048  943.179   16.226 -11.57397 22.82178 
1 1 1  -19    8   15 o  765.123   9.4791  1582.20   39.157  1539.23   54.031  1629.74   56.829  754.207   13.258  776.039   13.552 -21.83240 18.95826 
1 1 1  -19    8   16 o  388.553   5.7075  408.171   11.982  406.053   17.065  410.229   16.827  387.557   8.1488  389.550   7.9938 -1.992188 11.41503 
1 1 1  -19    8   17 o  853.248   10.456  1969.10   48.181  1924.84   66.722  2017.33   69.647  843.254   14.643  863.243   14.931 -19.98895 20.91267 
1 1 1  -19    8   18 o  183.358   5.3923   90.897   5.3400   87.191   7.5275   94.651   7.5765  179.594   7.7566  187.122   7.4930 -7.528214 10.78467 
1 1 1  -19    8   19 o  547.378   7.1866  810.085   21.254  794.967   29.793  825.753   30.330  542.179   10.169  552.578   10.158 -10.39923 14.37326 
1 1 1  -19    8   20 o  912.329   11.143  2253.89   54.928  2232.62   77.096  2275.82   78.279  907.964   15.714  916.694   15.803 -8.729797 22.28547 
1 1 1  -19    8   21 f  748.136   9.3210  1514.74   37.679  1498.95   52.918  1530.97   53.663  744.185   13.159  752.086   13.204 -7.900391 18.64200 
1 1 1  -19    8   22 o  596.068   7.7260  961.231   24.885  960.784   35.309  961.671   35.076  595.928   10.965  596.209   10.888 -0.2806396 15.45205 
1 1 1  -19    8   23 o  248.786   5.5643  167.382   7.4789  164.027   10.597  170.712   10.557  246.299   7.9622  251.273   7.7748 -4.973572 11.12853 
1 1 1  -19    8   24 o  1064.68   12.909  3073.45   74.237  3021.20  103.266  3129.33  106.796  1055.35   18.108  1074.00   18.402 -18.64990 25.81731 
1 1 1  -19    8   25 o  729.576   9.1787  1440.91   36.183  1448.11   51.574  1433.92   50.775  731.365   13.050  727.787   12.911 3.577881 18.35744 
1 1 1  -19    8   26 o  514.560   7.0360  716.223   19.563  710.117   27.570  722.417   27.764  512.351   9.9581  516.770   9.9426 -4.419128 14.07195 
1 1 1  -19    8   27 o  640.388   8.2791  1109.18   28.634  1083.33   39.721  1137.15   41.317  632.636   11.619  648.141   11.797 -15.50470 16.55816 
1 1 1  -19    8   28 o  578.450   7.6612  905.184   23.942  890.404   33.448  920.714   34.286  573.613   10.791  583.287   10.878 -9.673889 15.32243 
1 1 1  -19    8   29 o  568.684   7.6028  874.980   23.360  861.589   32.681  888.968   33.402  564.239   10.719  573.128   10.785 -8.889099 15.20565 
1 1 1  -19    8   30 o  644.014   8.3516  1123.25   29.064  1123.62   41.204  1122.88   41.001  644.116   11.838  643.911   11.784 0.2050781 16.70324 
1 1 1  -19    8   31 o  353.911   6.0702  338.871   11.608  333.309   16.390  344.469   16.442  350.994   8.6416  356.828   8.5271 -5.834290 12.14037 
1 1 1  -19    8   32 o  388.831   6.2846  408.988   13.201  413.500   18.937  404.723   18.412  390.912   8.9650  386.750   8.8100 4.161285 12.56925 
1 1 1  -19    8   33 o  427.410   6.4191  494.371   14.823  481.867   20.784  507.313   21.146  421.908   9.1164  432.912   9.0393 -11.00345 12.83814 
1 1 1  -19    8   34 o  436.186   6.4805  515.144   15.273  517.597   21.760  512.762   21.443  437.205   9.2106  435.167   9.1188 2.037445 12.96100 
1 1 1  -19    8   35 o  296.156   8.6053  237.981   13.760  237.162   19.853  238.739   19.087  295.640   12.428  296.673   11.906 -1.033142 17.21056 
1 1 1  -19    8   38 o  394.513   7.7116  419.801   15.221  429.955   27.434  415.285   18.295  397.578   12.770  391.447   8.6493 6.131226 15.42318 
1 1 1  -19    8   39 o  277.562   5.7708  207.864   8.6273  219.866   12.843  197.993   11.646  284.812   8.3446  270.311   7.9734 14.50073 11.54155 
1 1 1  -19    8   40 o  213.718   6.1725  123.811   7.1094  125.082   10.466  122.723   9.6871  214.706   9.0211  212.730   8.4271 1.976593 12.34493 
1 1 1  -19    8   41 o   62.485   14.137   10.185   5.4830   14.020   8.1590   7.0273   7.4041   70.338   20.324   54.632   19.658 15.70613 28.27497 
1 1 1  -19    8   42 o   56.852   14.127   7.8981   5.4403   5.8132   7.9045   9.7746   7.4991   53.207   20.101   60.496   19.855 -7.288864 28.25351 
1 1 1  -19    8   43 o  192.099   6.4279   99.678   6.6517  109.001   9.8789   91.946   8.9967  200.260   9.1291  183.937   9.0516 16.32375 12.85579 
1 1 1  -19    8   44 o  273.020   5.7436  202.438   8.4644  204.145   12.282  200.893   11.682  274.084   8.2927  271.956   7.9490 2.128235 11.48718 
1 1 1  -19    8   45 o   73.537   13.345   16.175   5.6114   8.7703   8.4640   21.983   7.4954   59.307   21.052   87.768   16.407 -28.46108 26.69032 
1 1 1  -19    8   46 o  137.785   8.1136   52.020   6.0358   50.159   8.5983   53.828   8.4747  135.307   11.760  140.262   11.181 -4.954834 16.22716 
1 1 1  -19    8   47 o  411.209   6.2618  460.831   13.905  464.427   20.068  457.511   19.284  412.691   8.9988  409.726   8.7100 2.965424 12.52370 
1 1 1  -19    8   48 o  135.911   8.0651   50.384   5.8952   54.781   8.8808   46.921   7.8823  141.122   11.646  130.700   11.161 10.42159 16.13024 
1 1 1  -19    8   49 o   69.875   13.348   14.390   5.1465   13.547   7.7715   15.049   6.8685   68.095   19.881   71.655   17.815 -3.559395 26.69530 
1 1 1  -19    8   50 o   84.004   12.356   20.351   5.3928   23.426   8.2406   18.047   7.1321   89.535   17.660   78.474   17.286 11.06046 24.71193 
1 1 1  -19    8   51 o  116.144   9.0265   37.486   5.6605   38.778   8.2087   36.314   7.8161  118.022   12.871  114.266   12.659 3.755905 18.05306 
1 1 1  -19    8   52 o   77.685   13.013   17.864   5.3684   20.175   7.9986   15.970   7.2419   82.249   18.451   73.121   18.356 9.127892 26.02647 
1 1 1  -19    8   53 o  201.357   6.3830  111.697   6.9134  109.563   10.220  113.497   9.3868  199.396   9.4855  203.319   8.5438 -3.923065 12.76599 
1 1 1  -19    8   54 o  110.824   10.147   35.052   5.9547   27.065   8.3374   43.367   8.5075   97.265   15.863  124.383   12.658 -27.11790 20.29414 
1 1 1  -19    8   55 o  264.849   5.9770  192.926   8.5480  196.597   12.366  189.567   11.829  267.195   8.5646  262.502   8.3395 4.692596 11.95403 
1 1 1  -19    8   56 o  153.927   8.0675   66.682   6.6793   62.080   9.6772   70.869   9.2305  148.508   12.059  159.345   10.720 -10.83676 16.13499 
1 1 1  -19    8   57 o  229.616   6.3994  146.032   7.9314  142.885   11.406  148.979   11.036  227.068   9.2961  232.164   8.7972 -5.095596 12.79875 
1 1 1  -19    8   58 o  164.709   7.6452   74.598   6.7265   86.728   10.531   66.239   8.7420  175.627   11.097  153.790   10.520 21.83670 15.29047 
1 1 1  -19    8   59 o  167.031   7.7307   78.923   6.9400   73.609   10.108   83.661   9.5455  161.262   11.600  172.800   10.223 -11.53754 15.46140 
1 1 1  -19    8   60 o  102.708   12.151   32.400   6.5357   33.155   9.9291   31.823   8.6817  102.255   18.657  103.161   15.574 -0.9059982 24.30301 
1 1 1  -19    8   61 o   51.303   14.481   5.3176   6.1836   10.463   9.3190   1.2701   8.2653   58.938   21.914   43.669   18.935 15.26908 28.96173 
1 1 1  -19    8   62 f   51.041   15.791  -1.7282   8.7914   11.725   13.232 -12.3604   11.763   62.892   25.333   39.190   18.859 23.70167 31.58219 
1 1 1  -19    8   63 o   85.177   17.286   30.154   9.5895   14.777   13.929   44.009   13.222   61.866   25.582  108.487   23.253 -46.62115 34.57106 
1 1 1  -19    8   64 o   65.597   17.489   15.850   8.1534   15.333   9.8756   16.957   14.450   64.912   22.768   66.283   26.553 -1.371002 34.97797 
1 1 1  -19    9    1 o  568.009   7.3959  871.610   22.688  847.296   31.461  897.955   32.749  559.766   10.401  576.251   10.517 -16.48529 14.79177 
1 1 1  -19    9    2 o  528.076   6.9680  752.896   19.867  726.359   27.429  782.182   28.815  518.305   9.7935  537.848   9.9146 -19.54297 13.93601 
1 1 1  -19    9    3 o  715.407   8.9332  1384.51   34.534  1376.92   48.760  1392.15   48.918  713.439   12.648  717.375   12.619 -3.936340 17.86647 
1 1 1  -19    9    4 o  615.912   7.8545  1025.73   26.139  1011.22   36.668  1040.71   37.271  611.487   11.097  620.338   11.119 -8.850342 15.70900 
1 1 1  -19    9    5 o  364.514   6.9020  369.167   12.897  325.901   21.293  394.236   16.208  347.133   11.352  381.896   7.8543 -34.76266 13.80395 
1 1 1  -19    9    6 o  541.521   10.100  793.122   29.547  773.198   41.216  814.189   42.381  534.528   14.269  548.513   14.299 -13.98419 20.20064 
1 1 1  -19    9    7 o  469.706   9.1166  596.065   23.108  611.487   33.734  582.432   31.717  475.410   13.131  464.001   12.650 11.40903 18.23330 
1 1 1  -19    9    8 o  823.226   10.122  1833.86   45.025  1817.86   63.254  1850.30   64.103  819.589   14.283  826.863   14.347 -7.273926 20.24409 
1 1 1  -19    9    9 f  253.219   4.9838  173.250   6.8015  174.160   9.9994  172.466   9.2786  253.835   7.2901  252.604   6.7976 1.230453 9.967561 
1 1 1  -19    9   10 o  352.772   5.4222  336.020   10.329  319.202   14.358  354.056   14.869  343.633   7.7324  361.911   7.6033 -18.27786 10.84437 
1 1 1  -19    9   11 o  828.941   10.194  1859.83   45.663  1852.59   64.491  1867.11   64.664  827.322   14.426  830.560   14.408 -3.237305 20.38862 
1 1 1  -19    9   12 o  699.370   8.7737  1323.03   33.150  1334.56   47.456  1312.05   46.327  702.336   12.504  696.404   12.311 5.932007 17.54744 
1 1 1  -19    9   13 o  342.063   5.4382  315.844   10.038  324.326   14.665  308.367   13.768  346.374   7.8351  337.751   7.5437 8.623016 10.87645 
1 1 1  -19    9   14 o  1057.32   12.787  3028.40   73.044  2992.00  102.181  3066.44  104.456  1050.84   17.995  1063.80   18.171 -12.96326 25.57366 
1 1 1  -19    9   15 o  748.997   9.3332  1518.06   37.774  1515.33   53.557  1520.76   53.284  748.323   13.245  749.670   13.153 -1.346375 18.66636 
1 1 1  -19    9   16 o  452.809   6.3003  554.397   15.410  553.019   22.073  555.708   21.525  452.256   9.0320  453.362   8.7863 -1.106689 12.60066 
1 1 1  -19    9   17 o  504.176   6.7774  687.365   18.462  686.724   26.295  687.990   25.928  503.941   9.6561  504.411   9.5127 -0.4705505 13.55474 
1 1 1  -19    9   18 o  239.269   5.3158  155.309   6.8468  146.327   9.9361  163.431   9.4481  232.652   7.9036  245.887   7.1108 -13.23529 10.63158 
1 1 1  -19    9   19 o  1110.94   13.423  3346.45   80.578  3330.48  113.629  3362.59  114.282  1108.27   18.974  1113.60   18.992 -5.326416 26.84563 
1 1 1  -19    9   20 o  837.894   10.331  1900.40   46.761  1867.91   65.209  1934.79   67.091  830.535   14.530  845.253   14.689 -14.71802 20.66108 
1 1 1  -19    9   21 o  1156.79   13.963  3629.70   87.239  3563.65  121.187  3700.75  125.685  1145.92   19.571  1167.66   19.920 -21.74133 27.92515 
1 1 1  -19    9   22 o  374.319   5.8284  378.984   11.784  374.490   16.844  383.293   16.492  372.139   8.3765  376.498   8.1065 -4.358673 11.65684 
1 1 1  -19    9   23 o  117.696   9.0982   38.697   5.5157   25.374   7.8064   51.978   7.7943   96.779   14.927  138.612   10.406 -41.83247 18.19646 
1 1 1  -19    9   24 o  519.279   7.0758  729.034   19.849  711.710   27.688  747.351   28.471  512.937   9.9894  525.621   10.024 -12.68408 14.15154 
1 1 1  -19    9   25 o  144.117   7.9530   56.285   6.1842   53.243   8.8020   59.251   8.6907  140.258   11.614  147.975   10.869 -7.717514 15.90607 
1 1 1  -19    9   26 o  389.154   6.1582  409.623   12.949  406.611   18.392  412.585   18.234  387.732   8.7781  390.576   8.6394 -2.844574 12.31648 
1 1 1  -19    9   27 o  661.152   8.5220  1183.36   30.445  1185.61   43.244  1181.14   42.870  661.772   12.093  660.531   12.011 1.240784 17.04402 
1 1 1  -19    9   28 o  834.867   10.379  1889.08   46.824  1882.39   66.146  1895.81   66.292  833.383   14.688  836.352   14.668 -2.969360 20.75835 
1 1 1  -19    9   29 o  613.616   8.0415  1019.58   26.662  1017.99   37.881  1021.14   37.533  613.135   11.434  614.097   11.311 -0.9624634 16.08294 
1 1 1  -19    9   30 o  450.019   6.5971  547.997   16.039  549.750   22.927  546.316   22.447  450.718   9.4137  449.321   9.2450 1.397034 13.19421 
1 1 1  -19    9   31 o  130.297   9.5404   45.990   6.7139   47.222   9.6838   44.848   9.3165  131.974   13.579  128.619   13.405 3.354523 19.08085 
1 1 1  -19    9   32 o  199.800   6.5958  107.529   7.1014  115.586   10.532  100.812   9.6159  206.624   9.4332  192.976   9.2214 13.64799 13.19166 
1 1 1  -19    9   33 o  204.046   6.5591  112.717   7.2237  105.526   10.116  120.199   10.319  197.397   9.4839  210.696   9.0631 -13.29820 13.11814 
1 1 1  -19    9   34 o  573.058   9.3944  893.109   27.637  896.486   34.163  886.712   47.017  575.067   10.994  571.049   15.237 4.018372 18.78877 
1 1 1  -19    9   37 o  310.332   8.4460  261.749   14.113  261.261   20.842  262.162   19.180  309.989   12.442  310.675   11.425 -0.6865234 16.89197 
1 1 1  -19    9   38 o  170.257   7.1610   78.882   6.5680   75.430   9.5371   81.997   9.0585  166.668   10.589  173.846   9.6428 -7.177628 14.32207 
1 1 1  -19    9   39 o  270.709   5.8611  198.840   8.5651  188.963   12.133  208.653   12.093  263.978   8.5055  277.441   8.0664 -13.46307 11.72221 
1 1 1  -19    9   40 o  337.641   5.9097  309.476   10.775  296.870   15.265  321.993   15.211  330.753   8.5407  344.528   8.1704 -13.77444 11.81943 
1 1 1  -19    9   41 o  354.280   5.9743  340.766   11.429  337.830   16.432  343.518   15.908  352.768   8.6200  355.792   8.2744 -3.023224 11.94867 
1 1 1  -19    9   42 o  257.776   5.9479  179.845   8.2326  185.208   12.436  175.661   10.984  261.125   8.8137  254.426   7.9892 6.698898 11.89575 
1 1 1  -19    9   43 o  166.443   7.1315   75.655   6.3832   73.277   9.4153   77.677   8.6834  163.941   10.628  168.944   9.5117 -5.002487 14.26292 
1 1 1  -19    9   44 o  269.340   5.7893  196.839   8.4073  202.579   12.375  191.919   11.457  272.938   8.3905  265.742   7.9788 7.196136 11.57853 
1 1 1  -19    9   45 o  265.221   5.8174  190.152   8.2996  203.311   12.476  179.706   11.116  273.355   8.4465  257.088   8.0015 16.26630 11.63471 
1 1 1  -19    9   46 o  138.983   7.8826   53.116   5.8799   50.706   8.7190   55.126   7.9632  135.955   11.868  142.010   10.377 -6.054779 15.76521 
1 1 1  -19    9   47 o  314.447   5.8858  267.543   9.9612  239.122   13.480  301.731   14.785  296.152   8.4235  332.742   8.2227 -36.58923 11.77152 
1 1 1  -19    9   48 o  139.006   8.0469   53.087   6.0222   53.881   8.9343   52.426   8.1526  139.859   11.822  138.152   10.921 1.707336 16.09386 
1 1 1  -19    9   49 o  186.294   6.5160   94.850   6.5262   96.242   9.7624   93.725   8.7753  187.417   9.6396  185.172   8.7700 2.245163 13.03209 
1 1 1  -19    9   50 o  121.515   8.8932   40.927   5.8271   42.187   8.5712   39.844   7.9459  123.170   12.878  119.859   12.268 3.311844 17.78636 
1 1 1  -19    9   51 o   51.745   13.222   3.9514   5.2410   13.050   8.1766  -2.3936   6.8281   66.523   20.616   36.967   16.561 29.55581 26.44411 
1 1 1  -19    9   52 f   87.952   12.370   22.900   5.6607   23.237   8.3061   22.608   7.7351   88.357   18.008   87.546   16.964 0.8114243 24.73951 
1 1 1  -19    9   53 o  132.403   8.7325   50.152   6.0870   40.627   9.0400   58.054   8.2331  120.021   13.939  144.785   10.523 -24.76437 17.46503 
1 1 1  -19    9   54 o  102.384   10.905   30.717   5.7913   25.967   8.4163   34.989   7.9813   93.396   17.314  111.372   13.262 -17.97640 21.80966 
1 1 1  -19    9   55 o  122.388   8.9731   42.002   5.9146   46.829   8.7418   37.928   8.0322  128.888   12.552  115.888   12.827 13.00035 17.94614 
1 1 1  -19    9   56 f  145.757   8.3166   59.382   6.5184   63.664   9.8217   56.011   8.7142  150.255   12.097  141.259   11.416 8.996643 16.63318 
1 1 1  -19    9   57 o  265.503   6.1389  193.996   8.7649  203.033   13.167  186.805   11.746  270.810   8.9975  260.195   8.3538 10.61545 12.27772 
1 1 1  -19    9   58 o  194.564   7.2037  105.913   7.5667  107.852   10.976  104.158   10.446  196.145   10.356  192.982   10.017 3.163467 14.40748 
1 1 1  -19    9   59 o   47.213   14.022   2.4335   6.2889  -2.4438   9.0360   7.0156   8.7583   41.358   18.743   53.068   20.860 -11.70988 28.04374 
1 1 1  -19    9   60 o  178.596   7.5766   90.294   7.2642   92.879   10.972   88.277   9.6925  180.419   11.254  176.774   10.147 3.645477 15.15327 
1 1 1  -19    9   61 o  134.941   11.998   47.660   8.1462   80.833   15.119   34.090   9.6697  163.508   17.112  106.374   16.823 57.13415 23.99633 
1 1 1  -19    9   62 o  150.237   12.582   71.798   10.166   80.901   14.717   63.491   14.059  160.344   16.985  140.130   18.566 20.21367 25.16321 
1 1 1  -19    9   63 o  200.300   8.9996  118.481   9.5747  117.181   12.452  120.360   14.976  200.580   11.489  200.020   13.856 0.5600891 17.99918 
1 1 1  -19    9   64 o   70.090   17.353   17.709   9.9836  -1.2833   14.168   36.441   14.071   47.514   22.214   92.666   26.665 -45.15283 34.70528 
1 1 1  -19   10    1 o  808.376   12.299  1759.94   50.228  1741.78   60.880  1798.65   88.886  802.242   14.044  814.509   20.195 -12.26666 24.59830 
1 1 1  -19   10    2 o  370.552   5.6165  370.690   11.230  379.939   16.402  362.528   15.408  374.893   8.0966  366.210   7.7862 8.683197 11.23294 
1 1 1  -19   10    3 f  790.841   9.7814  1692.06   41.793  1667.59   58.444  1717.67   59.787  784.996   13.778  796.685   13.888 -11.68933 19.56278 
1 1 1  -19   10    4 o  638.723   9.9790  1121.58   33.117  1037.39   53.818  1172.89   42.013  618.964   16.091  658.481   11.807 -39.51733 19.95802 
1 1 1  -19   10    5 o  311.405   7.7637  262.182   13.030  263.513   19.157  261.036   17.774  312.129   11.358  310.680   10.587 1.448364 15.52738 
1 1 1  -19   10    6 o  434.799   8.7954  511.599   20.658  504.054   29.438  518.919   28.998  431.631   12.622  437.967   12.253 -6.335541 17.59071 
1 1 1  -19   10    7 o  544.153   7.1776  799.805   21.092  774.693   29.200  827.199   30.498  535.235   10.096  553.071   10.205 -17.83569 14.35515 
1 1 1  -19   10    8 o  469.592   6.4413  596.225   16.344  589.285   23.076  603.211   23.153  466.848   9.1474  472.335   9.0713 -5.487122 12.88262 
1 1 1  -19   10    9 o  476.266   6.5027  613.347   16.734  609.279   23.769  617.346   23.563  474.697   9.2661  477.834   9.1257 -3.137451 13.00539 
1 1 1  -19   10   10 o  777.446   9.6428  1635.71   40.509  1628.96   57.269  1642.46   57.309  775.840   13.660  779.052   13.613 -3.212097 19.28550 
1 1 1  -19   10   11 o  848.303   10.451  1947.92   47.904  1954.85   68.243  1941.20   67.260  849.780   14.862  846.826   14.699 2.953796 20.90249 
1 1 1  -19   10   12 o  631.191   8.0671  1077.23   27.504  1091.91   39.553  1063.48   38.272  635.346   11.521  627.035   11.295 8.310974 16.13416 
1 1 1  -19   10   13 o  413.689   6.0094  462.735   13.430  460.292   19.188  465.082   18.804  412.615   8.6059  414.763   8.3899 -2.148285 12.01880 
1 1 1  -19   10   14 o  1333.12   16.001  4822.52  115.245  4765.29  161.130  4882.45  164.898  1325.06   22.504  1341.18   22.753 -16.12256 32.00184 
1 1 1  -19   10   15 o  938.192   11.459  2383.81   58.091  2389.36   82.524  2378.35   81.786  939.268   16.259  937.116   16.151 2.152588 22.91764 
1 1 1  -19   10   16 o  327.206   5.5185  287.761   9.7108  305.929   14.614  273.398   12.994  336.394   8.0398  318.017   7.5616 18.37683 11.03701 
1 1 1  -19   10   17 o  529.511   7.0806  758.338   20.256  756.292   28.883  760.318   28.416  528.803   10.108  530.219   9.9179 -1.415833 14.16111 
1 1 1  -19   10   18 o  955.057   11.652  2471.06   60.124  2441.18   84.177  2502.17   85.906  949.177   16.412  960.938   16.544 -11.76190 23.30346 
1 1 1  -19   10   19 o  527.648   7.0832  753.100   20.195  745.477   28.539  760.745   28.581  524.971   10.061  530.325   9.9734 -5.354126 14.16631 
1 1 1  -19   10   20 o  352.772   5.7684  336.539   10.992  324.582   15.496  348.650   15.595  346.460   8.2769  359.084   8.0370 -12.62408 11.53688 
1 1 1  -19   10   21 o  340.791   5.7805  314.069   10.641  312.992   15.244  315.093   14.860  340.217   8.2921  341.365   8.0558 -1.147980 11.56093 
1 1 1  -19   10   22 o  838.105   10.378  1901.91   46.990  1870.32   65.551  1935.30   67.394  830.961   14.599  845.249   14.755 -14.28790 20.75673 
1 1 1  -19   10   23 o  730.720   9.2278  1445.52   36.431  1453.51   52.032  1437.84   51.026  732.690   13.142  728.751   12.957 3.938110 18.45554 
1 1 1  -19   10   24 o  644.872   8.3422  1125.50   29.063  1133.00   41.616  1118.36   40.605  646.957   11.904  642.787   11.690 4.169983 16.68443 
1 1 1  -19   10   25 o  872.552   10.788  2062.88   50.851  2030.73   70.973  2096.78   72.893  865.585   15.174  879.518   15.337 -13.93311 21.57510 
1 1 1  -19   10   26 o  684.540   8.7672  1267.59   32.412  1234.48   44.941  1303.49   46.791  675.241   12.317  693.839   12.480 -18.59760 17.53438 
1 1 1  -19   10   27 o  355.632   6.1093  341.843   11.736  329.735   16.356  354.692   16.849  349.144   8.6692  362.119   8.6105 -12.97452 12.21864 
1 1 1  -19   10   28 o  448.332   6.6009  543.342   15.972  554.730   23.269  533.196   21.963  452.756   9.5108  443.908   9.1559 8.848755 13.20177 
1 1 1  -19   10   29 o  381.420   6.2236  393.650   12.822  392.383   18.389  394.849   17.887  380.814   8.9362  382.026   8.6648 -1.211731 12.44726 
1 1 1  -19   10   30 o  422.182   6.4209  482.500   14.642  475.579   20.921  489.144   20.499  419.202   9.2359  425.162   8.9226 -5.959991 12.84189 
1 1 1  -19   10   31 o  461.155   6.7183  575.648   16.739  563.570   23.463  588.167   23.888  456.229   9.5174  466.082   9.4847 -9.853271 13.43651 
1 1 1  -19   10   32 o  270.141   6.0672  197.613   8.8357  196.612   12.930  198.490   12.102  269.481   8.8792  270.802   8.2706 -1.320892 12.13434 
1 1 1  -19   10   33 o  439.086   8.0065  519.128   18.031  511.412   22.162  534.234   31.010  434.531   9.4384  443.641   12.936 -9.109863 16.01294 
1 1 1  -19   10   36 o  204.269   9.1711  113.254   10.104  117.365   14.847  109.707   13.790  207.686   13.229  200.852   12.705 6.834869 18.34218 
1 1 1  -19   10   37 o  703.152   8.9957  1345.05   34.166  1359.52   49.141  1331.51   47.534  706.753   12.867  699.550   12.575 7.202637 17.99141 
1 1 1  -19   10   38 o  282.317   5.8979  216.352   8.9793  211.475   13.034  220.756   12.388  279.250   8.6378  285.384   8.0330 -6.133301 11.79580 
1 1 1  -19   10   39 o  158.920   7.5871   68.545   6.4969   70.660   9.6130   66.766   8.8149  161.141   11.040  156.699   10.410 4.441757 15.17412 
1 1 1  -19   10   40 o   86.824   12.718   22.051   5.7482   17.113   9.0011   25.451   7.4698   77.224   21.011   96.424   14.336 -19.19915 25.43602 
1 1 1  -19   10   41 o  144.229   8.0101   56.649   6.1711   56.939   9.4807   56.436   8.1288  144.457   12.145  144.001   10.447 0.4561920 16.02010 
1 1 1  -19   10   42 o  211.300   6.4825  121.726   7.3732  109.500   10.428  133.951   10.427  200.592   9.6202  222.007   8.6915 -21.41475 12.96498 
1 1 1  -19   10   43 o   86.914   12.487   21.050   5.7660   29.794   8.6522   14.064   7.7336  103.902   15.410   69.926   19.651 33.97611 24.97308 
1 1 1  -19   10   44 o  198.648   6.4995  107.786   6.9526  103.162   10.126  111.910   9.5631  194.527   9.6331  202.770   8.7279 -8.242920 12.99894 
1 1 1  -19   10   45 o  271.411   5.9857  199.904   8.7508  208.075   12.999  193.132   11.834  276.409   8.7033  266.413   8.2201 9.996460 11.97150 
1 1 1  -19   10   46 o   80.431   12.957   18.218   5.4613   23.529   8.6155   14.651   7.0613   89.990   18.340   70.873   18.309 19.11757 25.91422 
1 1 1  -19   10   47 o  113.040   9.3840   35.502   5.6344   34.520   8.7409   36.200   7.3699  111.436   14.516  114.644   11.897 -3.208298 18.76808 
1 1 1  -19   10   48 o  284.571   5.8724  221.404   9.0126  212.787   12.988  229.407   12.516  279.114   8.6115  290.029   7.9864 -10.91534 11.74482 
1 1 1  -19   10   49 o  197.233   6.5765  106.398   6.9712  108.837   10.465  104.452   9.3467  199.128   9.7259  195.337   8.8549 3.790756 13.15310 
1 1 1  -19   10   50 o  370.285   6.1534  375.852   12.305  368.158   17.578  383.247   17.232  366.462   8.8767  374.107   8.5243 -7.645142 12.30690 
1 1 1  -19   10   51 o   94.250   12.108   25.089   5.8920   38.381   9.1047   15.512   7.7285  116.719   14.436   71.780   19.444 44.93874 24.21672 
1 1 1  -19   10   52 o   64.923   14.446   12.608   5.6563   11.172   8.7358   13.644   7.4223   62.524   21.443   67.323   19.365 -4.799034 28.89265 
1 1 1  -19   10   53 o  234.427   6.1821  150.369   7.8050  161.475   11.636  141.284   10.524  242.180   8.8912  226.673   8.5918 15.50705 12.36417 
1 1 1  -19   10   54 o  150.171   7.9897   63.990   6.3668   55.511   9.5043   70.891   8.5752  140.439   12.524  159.902   9.9243 -19.46260 15.97941 
1 1 1  -19   10   55 o  108.818   10.556   33.943   6.1924   36.054   9.1545   32.163   8.4079  111.825   15.150  105.811   14.705 6.013657 21.11298 
1 1 1  -19   10   56 o   54.686   14.289   7.5457   5.6217   10.761   8.4696   5.0135   7.5161   60.556   21.094   48.817   19.281 11.73834 28.57825 
1 1 1  -19   10   57 o  253.310   6.2889  177.676   8.5812  181.862   12.707  174.167   11.635  255.823   9.1920  250.796   8.5853 5.026825 12.57781 
1 1 1  -19   10   58 o   92.019   13.127   26.333   6.2320   26.248   9.6129   26.395   8.1851   90.873   20.108   93.164   16.880 -2.290955 26.25438 
1 1 1  -19   10   59 f  149.994   8.6598   65.050   6.9762   57.370   9.8753   72.701   9.8565  140.527   13.005  159.460   11.439 -18.93309 17.31966 
1 1 1  -19   10   60 o   40.582   13.148  -6.6413   6.7011   3.0190   10.150 -14.1058   8.9221   49.253   21.169   31.912   15.600 17.34105 26.29589 
1 1 1  -19   10   61 o   67.219   18.174   14.936   9.2008   18.275   13.683   12.180   12.431   71.566   26.565   62.872   24.808 8.693844 36.34728 
1 1 1  -19   10   62 o  120.519   16.375   54.136   10.344   46.779   15.025   60.766   14.263  107.736   26.086  133.301   19.801 -25.56510 32.75037 
1 1 1  -19   10   63 o   37.920   12.896 -11.6209   8.0529  -3.7677   10.141 -25.0225   13.248   40.802   18.981   35.038   17.463 5.763783 25.79211 
1 1 1  -19   10   64 o   62.940   17.751   16.580   9.0845   18.367   13.230   14.986   12.496   64.981   25.608   60.900   24.588 4.081589 35.50124 
1 1 1  -19   11    1 f  636.231   10.101  1080.68   32.226  1056.42   38.695  1135.58   58.215  624.940   11.459  647.521   16.638 -22.58112 20.20175 
1 1 1  -19   11    2 o  502.641   8.3810  688.809   21.741  702.057   27.141  665.090   36.317  509.533   9.8576  495.748   13.557 13.78448 16.76197 
1 1 1  -19   11    3 o  678.736   12.252  1247.85   44.929  1254.28   64.151  1241.67   62.944  680.438   17.447  677.033   17.205 3.404846 24.50349 
1 1 1  -19   11    4 o  213.094   8.4802  123.891   9.6750  112.613   14.259  133.514   13.171  204.007   12.935  222.180   10.970 -18.17235 16.96045 
1 1 1  -19   11    5 o  595.422   9.5074  960.602   28.954  963.161   35.632  955.631   49.678  596.743   11.050  594.100   15.474 2.643250 19.01482 
1 1 1  -19   11    6 o  554.171   7.3250  830.492   21.935  821.932   30.913  839.172   31.129  551.294   10.377  557.047   10.341 -5.753357 14.65005 
1 1 1  -19   11    7 o  822.073   10.162  1829.23   45.142  1822.26   63.817  1836.22   63.862  820.502   14.394  823.645   14.349 -3.143372 20.32405 
1 1 1  -19   11    8 o  783.898   9.7379  1663.04   41.249  1655.64   58.273  1670.47   58.397  782.148   13.788  785.647   13.755 -3.498596 19.47582 
1 1 1  -19   11    9 o  672.940   8.5541  1224.83   31.102  1206.78   43.577  1243.58   44.405  667.888   12.074  677.992   12.120 -10.10413 17.10826 
1 1 1  -19   11   11 o  281.914   7.3427  214.833   11.186   0.0000   0.0000  214.833   11.186  ?   ?   281.914   7.3427      ?      ? 
1 1 1  -19   11   12 o  830.856   10.266  1868.64   46.089  1855.39   64.880  1882.14   65.483  827.885   14.503  833.828   14.533 -5.942993 20.53168 
1 1 1  -19   11   13 o  610.071   7.9223  1006.77   26.114  1007.47   37.224  1006.09   36.644  610.275   11.288  609.867   11.119 0.4074097 15.84466 
1 1 1  -19   11   14 o  328.587   5.6004  292.097   9.9355  285.939   14.254  297.915   13.856  325.212   8.1114  331.963   7.7243 -6.750977 11.20088 
1 1 1  -19   11   15 o  389.593   5.9306  410.208   12.470  414.010   18.123  406.788   17.186  391.301   8.5709  387.886   8.1993 3.415314 11.86123 
1 1 1  -19   11   16 o  445.357   6.3818  536.416   15.354  534.251   21.951  538.491   21.484  444.471   9.1395  446.242   8.9094 -1.770599 12.76352 
1 1 1  -19   11   17 o  541.522   7.2576  793.211   21.229  795.711   30.458  790.849   29.606  542.343   10.393  540.701   10.133 1.642395 14.51512 
1 1 1  -19   11   18 o  617.261   7.9897  1030.97   26.644  1033.79   38.078  1028.26   37.296  618.081   11.401  616.441   11.196 1.639709 15.97941 
1 1 1  -19   11   19 o  630.673   8.1617  1076.28   27.813  1061.81   39.136  1091.05   39.534  626.388   11.562  634.958   11.522 -8.569031 16.32332 
1 1 1  -19   11   20 o  892.877   11.000  2159.28   53.058  2124.27   73.986  2196.35   76.129  885.444   15.463  900.310   15.649 -14.86572 21.99970 
1 1 1  -19   11   21 o  334.864   5.9800  303.328   10.817  298.158   15.414  308.344   15.183  332.047   8.5908  337.681   8.3210 -5.633240 11.95997 
1 1 1  -19   11   22 o  521.990   7.1796  737.250   20.249  731.135   28.795  743.231   28.480  519.842   10.251  524.138   10.055 -4.296082 14.35928 
1 1 1  -19   11   23 f  723.551   9.1767  1416.87   35.866  1385.50   49.909  1450.38   51.577  715.282   12.913  731.821   13.043 -16.53918 18.35336 
1 1 1  -19   11   24 o  440.491   6.5485  524.936   15.584  519.254   22.166  530.491   21.916  438.128   9.3624  442.854   9.1583 -4.726654 13.09691 
1 1 1  -19   11   25 o  598.148   7.9304  967.588   25.621  940.433   35.594  996.786   36.909  589.450   11.175  606.846   11.256 -17.39581 15.86071 
1 1 1  -19   11   26 o  399.471   6.3526  431.694   13.709  417.024   19.282  446.687   19.493  392.603   9.0889  406.339   8.8779 -13.73605 12.70528 
1 1 1  -19   11   27 o   88.425   12.642   20.954   6.2182   39.301   9.4510   6.9496   8.2572  120.377   14.529   56.474   20.693 63.90325 25.28475 
1 1 1  -19   11   28 o  320.938   6.0446  278.795   10.478  270.206   14.877  287.247   14.758  316.023   8.7121  325.853   8.3815 -9.829407 12.08928 
1 1 1  -19   11   29 o  284.122   6.1565  219.151   9.4208  205.822   13.602  231.441   13.061  275.770   9.1276  292.475   8.2640 -16.70435 12.31291 
1 1 1  -19   11   30 o  435.634   6.5378  513.902   15.381  511.493   22.110  516.160   21.411  434.628   9.4141  436.640   9.0744 -2.012085 13.07555 
1 1 1  -19   11   31 o  162.262   8.0924   72.632   6.9627   62.871   10.448   80.429   9.3383  152.219   12.703  172.306   10.030 -20.08694 16.18489 
1 1 1  -19   11   32 o   65.485   16.632   9.8007   7.4026   8.7363   9.6478   11.324   11.543   61.922   22.417   69.047   24.576 -7.124443 33.26404 
1 1 1  -19   11   35 o  240.388   8.8920  156.352   11.473  163.694   17.414  150.721   15.252  245.279   13.139  235.498   11.985 9.781494 17.78398 
1 1 1  -19   11   36 o  255.649   6.0032  175.918   8.2494  188.809   12.464  165.868   11.005  263.901   8.7403  247.397   8.2318 16.50378 12.00646 
1 1 1  -19   11   37 o  180.118   7.2043   88.146   7.0047   87.259   10.110   88.965   9.7143  179.223   10.439  181.013   9.9315 -1.790359 14.40856 
1 1 1  -19   11   38 o   80.131   12.279   19.892   5.7541   4.2530   8.7605   31.758   7.6310   52.388   20.777  107.873   13.091 -55.48471 24.55718 
1 1 1  -19   11   39 o  311.915   5.9681  264.425   10.045  250.915   14.310  277.548   14.103  304.004   8.7110  319.826   8.1604 -15.82190 11.93626 
1 1 1  -19   11   40 o  694.901   8.9579  1318.67   33.635  1315.89   47.781  1321.41   47.357  694.133   12.739  695.668   12.598 -1.534973 17.91587 
1 1 1  -19   11   41 o   70.912   14.247   14.210   6.0845   7.3087   8.7895   20.560   8.4312   57.341   21.290   84.482   18.937 -27.14053 28.49342 
1 1 1  -19   11   42 o  207.681   6.4537  118.417   7.1753  102.611   10.328  133.167   9.9763  194.041   9.8497  221.321   8.3418 -27.28003 12.90739 
1 1 1  -19   11   43 f  122.037   9.1100   40.985   5.9843   39.524   8.7618   42.263   8.1928  119.895   13.524  124.179   12.209 -4.284317 18.22004 
1 1 1  -19   11   44 o  195.905   6.5100  104.699   6.8363  103.862   10.319  105.353   9.1267  195.095   9.7879  196.714   8.5860 -1.619293 13.02008 
1 1 1  -19   11   45 o  148.246   7.8093   59.294   6.2059   68.953   9.5087   52.127   8.1910  158.587   11.096  137.905   10.992 20.68141 15.61857 
1 1 1  -19   11   46 o   67.690   13.622   13.660   5.6154   6.2831   8.6839   18.961   7.3616   54.673   20.968   80.707   17.393 -26.03429 27.24306 
1 1 1  -19   11   47 o  347.519   6.0181  329.596   11.263  331.325   16.644  328.136   15.297  348.214   8.8458  346.823   8.1623 1.390442 12.03622 
1 1 1  -19   11   48 o  152.402   7.9576   65.219   6.4096   56.835   9.7308   71.644   8.5186  143.209   12.575  161.595   9.7556 -18.38589 15.91511 
1 1 1  -19   11   49 o  223.605   6.2794  136.497   7.5358  141.685   11.425  132.502   10.026  227.194   9.3063  220.017   8.4329 7.176743 12.55872 
1 1 1  -19   11   50 o   80.061   13.519   19.611   5.8155   15.382   8.6648   23.077   7.8450   71.473   21.029   88.649   16.995 -17.17543 27.03803 
1 1 1  -19   11   51 o  131.205   8.6257   48.120   6.0334   47.541   9.2832   48.544   7.9388  130.163   13.198  132.247   11.109 -2.083664 17.25146 
1 1 1  -19   11   52 o   73.536   13.405   15.173   5.6491   25.574   8.8109   7.9138   7.3612   92.445   18.286   54.627   19.606 37.81796 26.81005 
1 1 1  -19   11   53 o  199.184   6.9232  110.306   7.4190  102.084   10.708  117.897   10.289  191.740   10.335  206.628   9.2146 -14.88844 13.84632 
1 1 1  -19   11   54 o  305.051   6.1641  257.282   10.136  249.148   14.711  264.634   13.985  300.188   9.0690  309.914   8.3510 -9.726013 12.32826 
1 1 1  -19   11   55 o   42.682   13.122  -0.2252   5.8012  -5.0579   9.0201   3.1840   7.5759   39.444   18.193   45.919   18.916 -6.474091 26.24439 
1 1 1  -19   11   56 o   46.507   13.670   1.7756   5.9643   7.2304   8.4516  -3.6359   8.4181   53.827   20.676   39.187   17.887 14.64033 27.33958 
1 1 1  -19   11   57 o   59.762   14.878   10.738   6.0210   8.7255   9.0689   12.325   8.0515   56.669   21.501   62.854   20.571 -6.184490 29.75644 
1 1 1  -19   11   58 o   51.441   14.430   5.5742   6.1454   10.448   9.0529   1.4083   8.3692   58.796   21.649   44.086   19.085 14.70966 28.86030 
1 1 1  -19   11   59 o   79.661   15.247   21.650   6.7844   18.369   10.342   24.129   8.9888   73.071   23.263   86.251   19.716 -13.17982 30.49383 
1 1 1  -19   11   60 o  129.814   15.853   55.777   10.508   96.779   15.807   23.311   14.066  179.752   16.274   79.876   27.210 99.87642 31.70541 
1 1 1  -19   11   61 o   76.317   18.446   23.865   9.1082   26.532   13.623   21.709   12.249   79.332   26.779   73.301   25.376 6.031204 36.89293 
1 1 1  -19   11   62 o   40.999   19.114  -4.2150   10.372  -4.2150   10.372   0.0000   0.0000   40.999   19.114  ?   ?       ?      ? 
1 1 1  -19   11   63 o   69.238   18.310   20.380   9.2313   25.901   13.947   16.077   12.315   75.516   27.000   62.960   24.740 12.55560 36.62051 
1 1 1  -19   12    1 o  362.320   8.7292  353.734   16.995  368.243   25.626  342.342   22.707  368.905   12.855  355.736   11.813 13.16901 17.45836 
1 1 1  -19   12    2 o  566.527   10.813  862.938   32.911  923.423   49.853  816.216   43.816  583.960   15.799  549.094   14.767 34.86566 21.62571 
1 1 1  -19   12    3 o  588.655   11.055  938.266   35.155  939.189   50.336  937.387   49.121  588.922   15.817  588.387   15.449 0.5347290 22.11035 
1 1 1  -19   12    4 o  479.671   6.6914  622.193   17.342  619.191   24.685  625.117   24.368  478.525   9.5464  480.816   9.3790 -2.291351 13.38275 
1 1 1  -19   12    5 o  1143.52   13.818  3545.25   85.381  3540.97  120.762  3549.52  120.730  1142.82   19.555  1144.21   19.526 -1.385620 27.63502 
1 1 1  -19   12    6 o  1017.74   12.388  2804.71   68.100  2751.53   94.620  2861.85   98.090  1007.76   17.375  1027.72   17.663 -19.95728 24.77671 
1 1 1  -19   12    7 o  707.195   8.9420  1353.22   34.169  1356.22   48.630  1350.29   48.021  707.965   12.712  706.425   12.580 1.540405 17.88404 
1 1 1  -19   12    8 o  852.082   10.539  1965.59   48.521  1975.71   69.240  1955.82   68.016  854.226   15.000  849.938   14.809 4.287964 21.07890 
1 1 1  -19   12    9 o  685.329   12.336  1270.84   45.684   0.0000   0.0000  1270.84   45.684  ?   ?   685.329   12.336      ?      ? 
1 1 1  -19   12   10 o  816.848   10.146  1806.45   44.782  1806.89   63.598  1806.01   63.066  816.941   14.407  816.756   14.290 0.1851807 20.29152 
1 1 1  -19   12   11 o  635.294   8.2128  1091.99   28.192  1089.57   40.073  1094.35   39.669  634.593   11.686  635.994   11.543 -1.401367 16.42560 
1 1 1  -19   12   12 o  309.379   5.6842  259.224   9.4840  242.059   13.476  276.070   13.350  299.207   8.3347  319.552   7.7312 -20.34567 11.36836 
1 1 1  -19   12   13 o  222.114   5.8038  133.336   6.9488  134.204   10.206  132.586   9.4877  222.782   8.4778  221.446   7.9288 1.335846 11.60767 
1 1 1  -19   12   14 o  571.557   7.5845  881.971   23.377  911.285   34.383  856.770   31.879  580.354   10.964  562.761   10.483 17.59277 15.16907 
1 1 1  -19   12   15 o  328.152   5.7633  290.348   10.187  301.040   15.129  281.480   13.778  333.656   8.3911  322.649   7.9027 11.00641 11.52657 
1 1 1  -19   12   16 o  312.926   5.8007  264.956   9.7848  262.281   14.307  267.306   13.412  311.432   8.5018  314.420   7.8937 -2.988251 11.60131 
1 1 1  -19   12   17 o  250.423   5.9647  169.672   8.0441  168.440   11.852  170.724   10.953  249.570   8.7885  251.275   8.0668 -1.704758 11.92945 
1 1 1  -19   12   18 o  405.358   6.3209  444.120   13.826  448.981   20.144  439.790   19.011  407.445   9.1493  403.271   8.7239 4.173523 12.64181 
1 1 1  -19   12   19 o  759.918   9.5721  1563.71   39.305  1549.25   55.422  1578.33   55.752  756.382   13.560  763.454   13.514 -7.072205 19.14421 
1 1 1  -19   12   20 o  568.873   7.6434  875.411   23.492  855.438   32.891  896.209   33.564  562.250   10.826  575.496   10.793 -13.24567 15.28682 
1 1 1  -19   12   21 o  264.432   6.1480  189.275   8.7767  180.904   12.461  197.517   12.364  258.617   8.9166  270.246   8.4667 -11.62881 12.29596 
1 1 1  -19   12   22 o  593.789   7.9061  953.946   25.364  934.243   35.505  974.480   36.245  587.530   11.183  600.049   11.178 -12.51947 15.81219 
1 1 1  -19   12   23 f  277.607   6.2284  208.445   9.3223  190.308   13.039  227.407   13.333  265.245   9.0976  289.969   8.5091 -24.72403 12.45677 
1 1 1  -19   12   24 o  459.151   6.7423  569.996   16.722  551.226   23.293  589.955   24.020  451.356   9.5505  466.946   9.5197 -15.58923 13.48470 
1 1 1  -19   12   25 o  406.559   6.3991  447.456   14.048  440.486   20.153  454.044   19.594  403.465   9.2435  409.653   8.8516 -6.188385 12.79816 
1 1 1  -19   12   26 o  604.967   8.0248  991.043   26.226  994.748   37.561  987.518   36.636  606.055   11.469  603.879   11.227 2.176575 16.04970 
1 1 1  -19   12   27 o  507.577   7.1390  697.510   19.574  694.737   28.025  700.150   27.351  506.578   10.238  508.576   9.9523 -1.997467 14.27807 
1 1 1  -19   12   28 o  509.171   7.1482  702.172   19.665  692.758   27.897  711.470   27.725  505.767   10.208  512.575   10.010 -6.808533 14.29643 
1 1 1  -19   12   29 o  305.757   6.1122  253.412   10.085  240.774   14.370  265.677   14.156  298.216   8.9174  313.298   8.3617 -15.08176 12.22449 
1 1 1  -19   12   30 o  240.450   8.7453  156.533   11.363   0.0000   0.0000  156.533   11.363  ?   ?   240.450   8.7453      ?      ? 
1 1 1  -19   12   31 o  230.233   8.9576  144.230   11.117  135.743   15.948  152.252   15.505  223.583   13.200  236.883   12.113 -13.29974 17.91525 
1 1 1  -19   12   34 o   55.271   15.724   4.0220   7.1997   4.6293   9.9545   3.3559   10.426   55.680   22.127   54.862   22.347 0.8183861 31.44781 
1 1 1  -19   12   35 o  129.858   9.1404   45.758   6.3924   47.679   9.5092   44.174   8.6343  132.308   13.301  127.409   12.541 4.898323 18.28081 
1 1 1  -19   12   36 o  340.240   6.0732  311.931   11.107  332.910   16.775  295.557   14.820  350.319   8.8618  330.161   8.3068 20.15732 12.14637 
1 1 1  -19   12   37 o  325.757   6.0613  288.362   10.647  281.209   15.454  294.825   14.689  321.853   8.8860  329.661   8.2459 -7.808502 12.12253 
1 1 1  -19   12   38 o  418.987   6.4380  476.522   14.554  482.204   21.226  471.480   19.995  421.289   9.3238  416.685   8.8803 4.603546 12.87602 
1 1 1  -19   12   39 o  161.615   7.8017   72.099   6.7109   64.011   10.034   78.647   9.0273  153.166   12.123  170.063   9.8234 -16.89624 15.60336 
1 1 1  -19   12   40 o  112.621   9.8861   34.779   5.9701   34.859   9.0197   34.718   7.9644  112.631   14.820  112.611   13.088 0.2001953E-01 19.77219 
1 1 1  -19   12   41 o  547.401   7.5031  817.806   22.192  807.532   31.428  828.023   31.341  543.929   10.693  550.872   10.529 -6.942871 15.00614 
1 1 1  -19   12   42 o  168.621   7.5169   77.162   6.7891   81.284   10.417   74.119   8.9513  172.414   11.181  164.829   10.050 7.585175 15.03387 
1 1 1  -19   12   43 o  408.694   6.3978  454.761   14.121  434.294   19.692  476.428   20.261  399.204   9.1289  418.185   8.9662 -18.98013 12.79567 
1 1 1  -19   12   44 o  129.447   8.7753   45.828   6.1118   48.951   9.1740   43.336   8.1952  133.327   12.734  125.566   12.078 7.761490 17.55067 
1 1 1  -19   12   45 o   75.749   13.716   17.055   5.6445   14.984   8.5210   18.674   7.5349   71.529   20.799   79.969   17.885 -8.439941 27.43115 
1 1 1  -19   12   46 o  116.541   9.8312   39.473   5.8832   29.727   9.0679   46.557   7.7313  102.941   16.302  130.141   10.994 -27.20044 19.66236 
1 1 1  -19   12   47 o  108.083   10.433   32.707   6.0302   32.291   9.1691   33.025   8.0050  107.203   15.828  108.963   13.595 -1.760765 20.86553 
1 1 1  -19   12   48 o  285.042   6.0410  221.574   9.2353  229.389   14.041  215.613   12.261  289.258   8.9829  280.827   8.0797 8.430908 12.08195 
1 1 1  -19   12   49 o   58.963   14.443   8.1163   5.8510   15.162   9.0650   3.0849   7.6603   71.099   21.650   46.827   19.124 24.27162 28.88644 
1 1 1  -19   12   50 o  128.449   9.0135   45.526   6.1902   50.542   9.6351   42.000   8.0779  134.199   13.287  122.699   12.183 11.49988 18.02701 
1 1 1  -19   12   51 o   82.170   13.776   20.354   5.9872   21.976   9.0844   19.108   7.9608   84.836   20.121   79.504   18.822 5.332382 27.55212 
1 1 1  -19   12   52 o   48.068   14.018   3.0537   5.8127   5.2170   9.1287   1.5784   7.5385   52.354   21.058   43.783   18.509 8.571083 28.03653 
1 1 1  -19   12   53 o  145.542   8.5191   60.059   6.5869   56.207   10.080   62.930   8.7019  140.845   13.244  150.239   10.719 -9.394226 17.03813 
1 1 1  -19   12   54 o   46.897   13.779   3.1376   5.7147   1.3627   9.1089   4.2896   7.3387   46.552   20.032   47.242   18.924 -0.6907310 27.55703 
1 1 1  -19   12   55 o   99.431   12.100   29.765   6.2292   27.294   9.4827   31.641   8.2618   93.995   19.316  104.867   14.580 -10.87283 24.20046 
1 1 1  -19   12   56 o  123.057   9.9943   43.881   6.6223   41.992   9.6260   45.579   9.1247  120.132   14.829  125.983   13.403 -5.851723 19.98854 
1 1 1  -19   12   57 o  118.895   10.609   42.705   6.5595   33.675   9.8847   49.810   8.7683  105.765   17.296  132.025   12.291 -26.26011 21.21778 
1 1 1  -19   12   58 o  179.552   7.9103   91.803   7.6568   94.460   11.279   89.531   10.428  181.698   11.488  177.405   10.878 4.293106 15.82053 
1 1 1  -19   12   59 o  119.589   16.020   46.137   10.041   60.968   15.306   34.932   13.304  138.900   20.392  100.277   24.711 38.62300 32.03910 
1 1 1  -19   12   60 o   63.573   18.197   12.737   9.7881   18.450   14.495   7.9482   13.271   70.005   27.027   57.141   24.373 12.86387 36.39336 
1 1 1  -19   12   61 o   52.371   15.176   7.7092   6.7631   8.7100   10.563   7.0140   8.8042   54.255   22.341   50.486   20.546 3.769306 30.35246 
1 1 1  -19   12   62 o   53.547   16.112   7.1695   8.2016   3.0274   11.002   12.351   12.305   47.804   21.246   59.290   24.228 -11.48684 32.22393 
1 1 1  -19   13    1 o  344.618   8.6926  321.628   16.154  317.342   23.527  325.450   22.220  342.426   12.715  346.811   11.857 -4.385254 17.38530 
1 1 1  -19   13    2 o  349.911   8.8375  332.012   16.659  321.622   24.306  341.216   22.877  344.712   13.049  355.110   11.922 -10.39764 17.67491 
1 1 1  -19   13    3 o  134.545   9.8585   43.372   6.6898   34.115   7.9113   66.599   12.532  112.268   13.041  156.822   14.788 -44.55418 19.71699 
1 1 1  -19   13    4 o  438.524   7.9581  523.666   17.954  531.636   22.307  509.009   30.250  443.384   9.3106  433.664   12.909 9.720520 15.91622 
1 1 1  -19   13    5 o  476.239   6.7351  613.414   17.331  609.833   24.622  616.931   24.399  474.858   9.5957  477.620   9.4536 -2.762360 13.47028 
1 1 1  -19   13    6 o  116.883   9.1009   36.986   5.7412   36.788   8.3139   37.167   7.9377  116.577   13.198  117.188   12.535 -0.6106415 18.20189 
1 1 1  -19   13    7 o  321.961   5.8614  280.180   10.186  282.316   14.793  278.254   14.045  323.123   8.4722  320.800   8.1023 2.322357 11.72285 
1 1 1  -19   13    8 o  378.303   6.0983  387.219   12.455  380.816   17.908  393.219   17.335  375.265   8.8312  381.342   8.4123 -6.077667 12.19660 
1 1 1  -19   13    9 o  647.253   11.822  1133.73   41.350   0.0000   0.0000  1133.73   41.350  ?   ?   647.253   11.822      ?      ? 
1 1 1  -19   13   10 o  355.166   6.0340  341.125   11.564  340.843   16.804  341.379   15.938  355.018   8.7594  355.314   8.3011 -0.2957153 12.06796 
1 1 1  -19   13   11 o  217.660   6.3218  127.694   7.4073  132.856   11.049  123.480   9.9828  221.635   9.2258  213.685   8.6455 7.949997 12.64359 
1 1 1  -19   13   12 o  495.188   6.9767  662.914   18.648  671.317   27.088  655.344   25.711  498.158   10.063  492.219   9.6665 5.938416 13.95347 
1 1 1  -19   13   13 o  661.329   8.5773  1182.18   30.630  1141.43   42.351  1226.88   44.352  649.401   12.069  673.257   12.191 -23.85608 17.15455 
1 1 1  -19   13   14 o  154.983   7.9306   64.791   6.6078   66.928   9.9242   63.089   8.8563  157.261   11.678  152.704   10.733 4.557495 15.86126 
1 1 1  -19   13   15 o  387.297   6.2277  405.189   13.007  412.525   19.084  398.825   17.775  390.557   9.0427  384.037   8.5655 6.520752 12.45548 
1 1 1  -19   13   16 o  186.262   7.2826   95.038   7.2282   78.676   10.392  110.373   10.060  170.512   11.279  202.012   9.2161 -31.49982 14.56527 
1 1 1  -19   13   17 o  570.278   7.6965  880.062   23.714  877.861   33.815  882.191   33.264  569.568   10.987  570.987   10.781 -1.419556 15.39295 
1 1 1  -19   13   18 o  647.855   8.4619  1135.73   29.617  1111.73   41.380  1160.94   42.409  640.842   11.949  654.868   11.984 -14.02582 16.92387 
1 1 1  -19   13   19 o  248.421   6.4046  167.587   8.5592  157.887   12.474  176.217   11.766  241.585   9.5555  255.257   8.5303 -13.67183 12.80913 
1 1 1  -19   13   20 o  247.855   9.4009  166.180   12.591  166.180   12.591   0.0000   0.0000  247.855   9.4009  ?   ?       ?      ? 
1 1 1  -19   13   21 o  380.284   6.3852  390.857   13.099  396.612   19.148  385.794   17.958  382.902   9.2545  377.667   8.7998 5.235901 12.77034 
1 1 1  -19   13   22 o  254.983   6.4395  176.269   8.8159  172.456   13.159  179.374   11.875  252.455   9.6458  257.511   8.5340 -5.055405 12.87905 
1 1 1  -19   13   23 o  191.285   7.4567   98.884   7.6784  100.966   11.417   97.165   10.375  193.106   10.941  189.465   10.134 3.640472 14.91349 
1 1 1  -19   13   24 o  554.933   7.5952  833.850   22.772  828.019   32.414  839.532   31.999  553.006   10.847  556.860   10.634 -3.854309 15.19041 
1 1 1  -19   13   25 o  407.771   6.5461  449.659   14.416  429.680   20.120  470.737   20.666  398.463   9.3445  417.079   9.1697 -18.61542 13.09211 
1 1 1  -19   13   26 o  397.587   6.4554  427.749   13.852  430.107   20.121  425.625   19.098  398.611   9.3416  396.563   8.9121 2.048645 12.91090 
1 1 1  -19   13   27 o  382.185   6.3581  395.590   13.112  392.606   19.020  398.292   18.101  380.790   9.2434  383.581   8.7329 -2.791290 12.71627 
1 1 1  -19   13   28 o  460.570   6.8106  574.716   16.944  563.939   24.111  585.232   23.818  456.285   9.7787  464.855   9.4822 -8.569489 13.62111 
1 1 1  -19   13   29 o  452.905   8.2402  563.289   19.579  588.027   25.178  525.450   31.139  465.867   10.002  439.943   13.099 25.92435 16.48040 
1 1 1  -19   13   30 o   88.903   17.433   21.511   8.8500   30.360   13.350   14.572   11.821  103.063   24.357   74.744   24.947 28.31869 34.86545 
1 1 1  -19   13   32 o  277.578   11.626  209.279   17.438   0.0000   0.0000  209.279   17.438  ?   ?   277.578   11.626      ?      ? 
1 1 1  -19   13   33 o  513.464   8.7887  711.754   23.088  700.790   28.303  733.558   39.914  508.128   10.308  518.800   14.238 -10.67181 17.57743 
1 1 1  -19   13   34 f  118.427   10.131   37.930   6.4540   43.006   9.6302   33.791   8.6959  125.569   14.193  111.285   14.461 14.28349 20.26192 
1 1 1  -19   13   35 o  476.308   6.8615  616.209   17.650  610.781   25.326  621.335   24.612  474.223   9.8833  478.392   9.5207 -4.169006 13.72307 
1 1 1  -19   13   36 o  115.307   10.124   37.446   6.0971   31.128   9.4116   42.016   8.0038  106.457   16.361  124.156   11.930 -17.69982 20.24835 
1 1 1  -19   13   37 o  185.038   7.1753   91.689   7.0923  102.409   11.091   84.273   9.2249  193.994   10.580  176.081   9.6954 17.91386 14.35062 
1 1 1  -19   13   38 o   50.748   14.310   3.7996   5.8694   4.4742   8.8817   3.2767   7.8204   52.883   20.937   48.614   19.513 4.269245 28.62013 
1 1 1  -19   13   39 o  349.505   6.1207  332.286   11.524  328.273   16.923  335.755   15.735  347.449   9.0137  351.562   8.2829 -4.112457 12.24144 
1 1 1  -19   13   40 o  359.528   6.1463  351.583   11.909  352.294   17.495  350.968   16.258  359.779   8.9989  359.277   8.3742 0.5021667 12.29261 
1 1 1  -19   13   41 o   48.686   13.878   1.6612   5.8254   7.6415   8.8624  -2.8885   7.7300   57.795   21.394   39.577   17.684 18.21761 27.75642 
1 1 1  -19   13   42 o  235.469   6.2905  150.625   7.9529  154.638   12.009  147.490   10.614  238.158   9.3319  232.780   8.4378 5.378418 12.58099 
1 1 1  -19   13   43 o  196.185   6.9717  106.253   7.2777   98.223   11.057  112.392   9.6671  189.352   10.806  203.018   8.8120 -13.66600 13.94345 
1 1 1  -19   13   44 o  168.240   7.3347   77.817   6.5834   76.042   10.082   79.137   8.6926  166.359   11.215  170.121   9.4560 -3.762695 14.66945 
1 1 1  -19   13   45 o  333.458   8.1977  303.336   14.771   0.0000   0.0000  303.336   14.771  ?   ?   333.458   8.1977      ?      ? 
1 1 1  -19   13   46 o  117.848   10.038   38.631   6.2882   39.254   9.8435   38.201   8.1733  118.327   15.395  117.369   12.887 0.9587784 20.07688 
1 1 1  -19   13   47 o  324.392   6.0467  287.621   10.544  292.614   15.796  283.608   14.160  326.726   8.9469  322.058   8.1366 4.667786 12.09349 
1 1 1  -19   13   48 o  185.869   6.9863   94.222   6.9572  101.645   10.698   88.781   9.1586  192.002   10.311  179.737   9.4298 12.26521 13.97266 
1 1 1  -19   13   49 o   43.171   12.981   0.3124   5.5305  -5.1995   8.5826   4.2261   7.2321   38.732   17.821   47.610   18.879 -8.877293 25.96152 
1 1 1  -19   13   50 o  149.311   8.0040   62.154   6.3913   60.699   9.6891   63.275   8.5038  147.434   12.162  151.188   10.409 -3.753708 16.00803 
1 1 1  -19   13   51 o   74.948   21.933   17.502   9.4482   17.502   9.4482   0.0000   0.0000   74.948   21.933  ?   ?       ?      ? 
1 1 1  -19   13   52 o  110.089   11.282   36.164   6.2587   31.966   9.9926   38.875   8.0286  102.777   18.681  117.401   12.656 -14.62431 22.56410 
1 1 1  -19   13   53 o   58.423   14.920   9.1224   5.9698   12.536   9.4617   6.8645   7.6947   64.467   22.304   52.379   19.822 12.08786 29.83901 
1 1 1  -19   13   54 o   58.117   15.035   9.2772   6.0705   10.144   9.5735   8.6943   7.8506   60.242   22.249   55.991   20.229 4.251080 30.06997 
1 1 1  -19   13   55 o   54.161   14.527   7.0109   6.2791   0.5031   9.5063   12.048   8.3632   45.894   20.097   62.427   20.983 -16.53293 29.05443 
1 1 1  -19   13   56 o   56.346   14.775   8.8904   6.1556   4.8979   9.5778   11.700   8.0347   51.321   21.217   61.370   20.567 -10.04978 29.54933 
1 1 1  -19   13   57 o   54.627   14.827   6.0282   6.5706   15.577   10.109  -0.9571   8.6461   67.657   23.068   41.597   18.636 26.06055 29.65487 
1 1 1  -19   13   58 o   39.160   13.880 -33.1744   10.546 -14.6419   17.610 -43.5360   13.168   48.158   23.149   30.163   15.321 17.99479 27.75979 
1 1 1  -19   13   59 o   74.535   18.255   20.485   9.8921   8.5766   15.722   28.288   12.727   60.920   26.266   88.151   25.358 -27.23084 36.50911 
1 1 1  -19   13   60 o   95.608   16.958   34.258   8.6492   28.902   11.171   42.275   13.667   86.897   23.308  104.318   24.639 -17.42057 33.91672 
1 1 1  -19   13   61 o   85.400   16.850   26.312   8.4084   16.689   11.011   39.775   13.023   66.697   23.975  104.102   23.684 -37.40459 33.70095 
1 1 1  -19   13   62 o  112.852   16.919   47.965   10.185   66.059   15.946   35.495   13.238  133.943   22.032   91.761   25.683 42.18103 33.83835 
1 1 1  -19   14    1 o  476.978   6.8709  614.987   17.703  594.974   24.691  636.160   25.396  468.996   9.7428  484.960   9.6911 -15.96414 13.74187 
1 1 1  -19   14    2 o  605.155   10.028  988.971   30.363  999.549   54.562  984.225   36.545  607.215   16.629  603.095   11.214 4.119934 20.05654 
1 1 1  -19   14    3 o   77.047   16.037   18.404   6.9373   1.3730   16.495   22.064   7.6465   65.293   27.479   88.801   16.544 -23.50875 32.07455 
1 1 1  -19   14    4 o  521.787   8.9653  739.427   24.043  744.849   29.781  729.279   40.745  524.703   10.504  518.871   14.532 5.831421 17.93065 
1 1 1  -19   14    5 o  506.497   8.8591  685.551   22.603  670.420   27.251  718.919   40.468  497.821   10.130  515.172   14.537 -17.35117 17.71828 
1 1 1  -19   14    6 o  762.519   13.597  1574.47   56.026   0.0000   0.0000  1574.47   56.026  ?   ?   762.519   13.597      ?      ? 
1 1 1  -19   14    7 o  502.860   9.9654  684.027   27.079   0.0000   0.0000  684.027   27.079  ?   ?   502.860   9.9654      ?      ? 
1 1 1  -19   14    8 o  331.222   6.1620  296.712   11.023  283.779   15.521  309.873   15.657  323.934   8.8667  338.510   8.5594 -14.57660 12.32400 
1 1 1  -19   14    9 o  712.094   9.1545  1372.35   35.220  1345.28   49.317  1400.54   50.317  704.927   12.947  719.260   12.946 -14.33295 18.30903 
1 1 1  -19   14   10 o  301.469   8.4494  245.760   13.764   0.0000   0.0000  245.760   13.764  ?   ?   301.469   8.4494      ?      ? 
1 1 1  -19   14   11 o  652.609   8.5438  1152.34   30.124  1131.52   42.137  1174.10   43.083  646.583   12.060  658.635   12.105 -12.05194 17.08753 
1 1 1  -19   14   12 o  706.283   12.768  1350.45   48.728   0.0000   0.0000  1350.45   48.728  ?   ?   706.283   12.768      ?      ? 
1 1 1  -19   14   13 o  616.440   8.1920  1027.63   27.261  1045.74   39.580  1011.28   37.601  621.586   11.784  611.294   11.383 10.29211 16.38398 
1 1 1  -19   14   14 o  499.977   7.1324  676.119   19.264  654.166   27.020  698.817   27.474  491.719   10.169  508.235   10.004 -16.51596 14.26488 
1 1 1  -19   14   15 o  384.351   6.4176  399.800   13.319  392.817   19.109  406.397   18.574  381.075   9.2797  387.626   8.8673 -6.550903 12.83523 
1 1 1  -19   14   16 o  185.915   7.6835   93.440   7.6615   94.344   11.589   92.738   10.211  186.696   11.487  185.135   10.207 1.560730 15.36707 
1 1 1  -19   14   17 o  576.281   7.8236  897.669   24.347  866.646   33.711  931.499   35.202  565.889   11.024  586.673   11.104 -20.78430 15.64719 
1 1 1  -19   14   18 o  365.741   6.3428  362.022   12.529  352.627   17.853  371.138   17.587  361.055   9.1506  370.427   8.7859 -9.372253 12.68566 
1 1 1  -19   14   19 o  624.998   8.3040  1057.60   28.043  1040.25   39.561  1075.12   39.757  619.838   11.811  630.159   11.676 -10.32074 16.60801 
1 1 1  -19   14   20 o  438.042   6.7732  519.000   16.025  496.891   22.422  542.082   22.910  428.504   9.6837  447.581   9.4727 -19.07718 13.54643 
1 1 1  -19   14   21 o  457.232   6.8602  566.041   16.942  550.303   24.055  581.532   23.866  450.909   9.8727  463.555   9.5277 -12.64587 13.72032 
1 1 1  -19   14   22 o  272.720   6.4875  201.197   9.5494  202.481   13.865  200.039   13.171  273.539   9.3804  271.902   8.9644 1.636078 12.97509 
1 1 1  -19   14   23 o  494.170   7.1308  660.133   19.028  629.887   26.365  693.012   27.489  482.370   10.115  505.970   10.054 -23.59946 14.26157 
1 1 1  -19   14   24 o  842.505   10.557  1926.21   48.049  1889.05   66.987  1965.60   68.960  834.158   14.861  850.853   14.999 -16.69513 21.11440 
1 1 1  -19   14   25 o  491.362   7.0943  653.889   18.820  655.613   27.215  652.310   26.052  491.957   10.238  490.767   9.8239 1.189819 14.18869 
1 1 1  -19   14   26 o  247.120   6.5680  163.580   8.6897  178.171   13.423  153.054   11.401  256.479   9.6853  237.761   8.8741 18.71779 13.13595 
1 1 1  -19   14   27 o   98.604   15.468   28.012   7.9645   30.328   10.495   24.865   12.231  103.770   19.430   93.439   24.074 10.33183 30.93685 
1 1 1  -19   14   28 o  216.091   9.4118  127.572   10.924  116.554   15.858  137.523   15.071  207.084   14.171  225.099   12.390 -18.01445 18.82365 
1 1 1  -19   14   29 o  186.698   10.834   93.819   10.847  111.712   16.256   79.459   14.563  202.604   14.849  170.792   15.780 31.81146 21.66779 
1 1 1  -19   14   31 o  222.226   10.442  140.178   12.021  106.644   18.268  165.788   15.964  197.473   17.119  246.979   11.962 -49.50523 20.88454 
1 1 1  -19   14   32 o  470.441   8.4398  592.973   20.290  575.418   24.764  628.829   35.392  460.461   9.9528  480.421   13.633 -19.95926 16.87961 
1 1 1  -19   14   33 o  353.065   6.2186  338.084   11.840  338.239   17.305  337.947   16.235  353.098   9.0697  353.031   8.5104 0.6640625E-01 12.43723 
1 1 1  -19   14   34 o  169.980   7.6948   80.084   6.9304   67.773   10.320   90.196   9.3530  157.719   12.109  182.240   9.4977 -24.52147 15.38963 
1 1 1  -19   14   35 o  295.413   6.1392  237.169   9.7366  234.672   14.583  239.177   13.079  293.925   9.1815  296.901   8.1521 -2.976166 12.27833 
1 1 1  -19   14   36 o   77.831   13.152   18.097   6.2557   4.0699   9.6081   28.419   8.2421   53.840   21.623  101.823   14.980 -47.98338 26.30443 
1 1 1  -19   14   37 o  230.592   6.4522  145.189   7.9931  136.970   11.748  152.275   10.907  224.400   9.6882  236.784   8.5243 -12.38460 12.90443 
1 1 1  -19   14   38 o  312.405   6.1088  265.919   10.277  257.005   15.020  273.764   14.092  307.380   9.0430  317.430   8.2156 -10.05020 12.21769 
1 1 1  -19   14   39 o  129.371   9.3461   45.239   6.4685   51.028   10.052   41.147   8.4510  136.257   13.652  122.485   12.768 13.77154 18.69217 
1 1 1  -19   14   40 o  506.972   7.2137  701.604   19.744  699.878   28.523  703.190   27.357  506.260   10.426  507.685   9.9720 -1.425293 14.42742 
1 1 1  -19   14   41 o   43.537   13.399  -2.4830   5.8096   3.2041   9.5470  -5.8273   7.3211   51.962   21.300   35.111   16.263 16.85093 26.79823 
1 1 1  -19   14   42 o  268.589   8.1544  207.523   10.667  175.023   19.046  222.375   12.876  251.505   14.014  285.672   8.3409 -34.16750 16.30873 
1 1 1  -19   14   43 o  112.335   10.925   37.501   6.0664   27.713   9.4266   44.421   7.9257   97.594   18.553  127.076   11.542 -29.48207 21.85019 
1 1 1  -19   14   44 o  308.376   6.0585  260.310   10.060  250.693   14.694  268.793   13.800  302.842   8.9794  313.910   8.1358 -11.06708 12.11692 
1 1 1  -19   14   45 o   50.814   14.452   4.2001   6.0436   3.5589   9.2588   4.6762   7.9776   51.239   20.986   50.389   19.876 0.8501396 28.90472 
1 1 1  -19   14   46 o   78.094   14.392   17.940   6.1508   22.638   9.3398   14.343   8.1734   86.770   20.283   69.419   20.424 17.35155 28.78440 
1 1 1  -19   14   47 o  142.945   8.4898   56.082   6.4899   61.282   10.077   52.396   8.4838  148.354   12.570  137.535   11.415 10.81943 16.97962 
1 1 1  -19   14   48 o  132.896   9.3674   49.078   6.6479   52.547   10.350   46.641   8.6738  136.560   14.026  129.232   12.421 7.328217 18.73481 
1 1 1  -19   14   49 f   72.769   13.838   14.981   5.7870   24.057   9.0044   8.5948   7.5535   89.251   19.237   56.286   19.897 32.96480 27.67591 
1 1 1  -19   14   50 o   50.277   14.242   3.6740   5.9060   8.7724   9.3175   0.2497   7.6359   58.356   21.870   42.199   18.249 16.15746 28.48378 
1 1 1  -19   14   51 o  119.577   10.150   40.641   6.5010   42.049   9.9281   39.584   8.6015  121.004   15.184  118.150   13.473 2.854568 20.29922 
1 1 1  -19   14   52 o   69.547   15.182   14.936   6.2130   16.997   9.6350   13.469   8.1288   73.101   22.334   65.992   20.572 7.109154 30.36465 
1 1 1  -19   14   53 o  232.938   6.7938  151.118   8.5004  145.655   12.588  155.697   11.525  228.668   10.187  237.208   8.9912 -8.540588 13.58768 
1 1 1  -19   14   54 o   92.555   13.663   26.044   6.5628   32.969   10.232   21.204   8.5543  103.133   19.062   81.976   19.580 21.15649 27.32661 
1 1 1  -19   14   55 o   95.779   13.170   27.725   6.6492   34.904   10.095   22.223   8.8369  108.003   17.297   83.556   19.863 24.44642 26.33926 
1 1 1  -19   14   56 f   39.588   12.837  -4.8263   6.5291 -12.6068   9.8911   1.1818   8.6918   34.989   16.948   44.187   19.286 -9.198227 25.67496 
1 1 1  -19   14   57 f   68.024   17.893   13.107   11.148 -17.6509   20.006   26.959   13.426   49.987   24.187   86.060   26.375 -36.07344 35.78617 
1 1 1  -19   14   58 o  200.678   12.674  115.208   13.241  168.761   22.231   85.766   16.484  234.846   17.518  166.509   18.320 68.33711 25.34798 
1 1 1  -19   14   59 o  130.913   12.973   54.944   9.0101   46.987   11.485   67.680   14.530  119.778   17.744  142.047   18.930 -22.26891 25.94604 
1 1 1  -19   14   60 o  102.757   13.721   35.527   7.3190   31.089   11.041   39.006   9.7754   93.500   22.187  112.014   16.150 -18.51458 27.44217 
1 1 1  -19   14   61 o   58.937   17.460   13.163   9.5735   8.1622   15.258   16.410   12.295   54.831   24.647   63.043   24.737 -8.212040 34.91935 
1 1 1  -19   15    1 o  500.104   7.1792  676.587   19.397  677.174   27.723  676.024   27.148  500.310   10.255  499.898   10.050 0.4119873 14.35837 
1 1 1  -19   15    2 o  439.225   6.7892  521.661   16.100  525.723   23.288  517.942   22.284  440.854   9.7757  437.597   9.4237 3.256775 13.57830 
1 1 1  -19   15    3 o  617.645   10.289  1038.90   32.034  1018.02   56.333  1048.87   38.944  612.739   17.014  622.550   11.576 -9.811035 20.57880 
1 1 1  -19   15    4 o  675.363   11.018  1229.87   37.171  1252.25   67.107  1219.96   44.645  679.392   18.279  671.333   12.307 8.059387 22.03606 
1 1 1  -19   15    5 o  904.053   13.815  2215.77   63.583  2209.85   77.786  2227.70  110.377  902.951   15.942  905.155   22.567 -2.203735 27.62976 
1 1 1  -19   15    6 o  181.657   10.162   85.270   9.2251   79.206   10.939  100.203   17.165  171.066   11.834  192.248   16.524 -21.18144 20.32415 
1 1 1  -19   15    7 o  174.770   8.0311   82.309   7.5568   86.637   11.278   78.783   10.180  178.913   11.666  170.626   11.041 8.286560 16.06214 
1 1 1  -19   15    9 o  575.308   7.9071  895.765   24.577  874.222   34.665  917.540   34.851  568.344   11.287  582.273   11.076 -13.92902 15.81424 
1 1 1  -19   15   10 o  102.621   12.566   29.249   6.7619   25.504   9.6712   32.831   9.4580   95.199   19.457  110.043   15.906 -14.84435 25.13099 
1 1 1  -19   15   11 o  773.798   9.8342  1621.88   41.118  1601.32   57.805  1642.94   58.500  768.834   13.914  778.762   13.902 -9.927856 19.66843 
1 1 1  -19   15   12 o  586.945   8.0243  932.060   25.445  908.721   35.589  956.466   36.393  579.430   11.367  594.461   11.329 -15.03058 16.04858 
1 1 1  -19   15   13 o  245.843   7.0409  163.770   9.3302  159.469   13.580  167.614   12.841  242.768   10.352  248.918   9.5465 -6.149933 14.08188 
1 1 1  -19   15   15 o  785.411   10.042  1670.85   42.611  1637.32   59.511  1706.12   61.041  777.335   14.168  793.488   14.236 -16.15356 20.08464 
1 1 1  -19   15   16 o  825.472   10.401  1845.81   46.373  1800.91   64.351  1894.31   66.885  815.056   14.611  835.888   14.808 -20.83142 20.80275 
1 1 1  -19   15   17 o  554.528   7.6592  831.434   22.936  801.807   31.754  863.748   33.163  544.216   10.798  564.839   10.865 -20.62280 15.31836 
1 1 1  -19   15   18 o  136.120   9.8243   50.261   7.2219   48.410   10.236   52.096   10.191  133.614   14.177  138.627   13.604 -5.012802 19.64869 
1 1 1  -19   15   19 o  283.604   8.7341  217.611   13.385   0.0000   0.0000  217.611   13.385  ?   ?   283.604   8.7341      ?      ? 
1 1 1  -19   15   20 f  301.231   6.4630  245.894   10.504  237.105   15.104  254.126   14.617  295.995   9.4431  306.467   8.8267 -10.47183 12.92605 
1 1 1  -19   15   21 o  459.105   6.9502  570.484   17.220  572.720   25.019  568.471   23.737  459.938   10.067  458.272   9.5856 1.665710 13.90048 
1 1 1  -19   15   22 o  159.689   8.8240   69.338   7.5491   67.603   11.370   70.706   10.096  157.857   13.329  161.521   11.567 -3.664154 17.64799 
1 1 1  -19   15   23 o  379.332   6.4781  388.242   13.240  406.775   19.643  372.812   17.923  387.579   9.3793  371.085   8.9384 16.49448 12.95630 
1 1 1  -19   15   24 f  359.629   6.4570  349.350   12.519  362.348   18.461  338.285   17.034  365.788   9.3400  353.470   8.9183 12.31836 12.91402 
1 1 1  -19   15   25 f  195.451   8.9619  101.454   9.2463   94.021   11.702  113.806   15.085  186.194   11.631  204.707   13.638 -18.51263 17.92373 
1 1 1  -19   15   26 o  162.500   11.608   72.002   10.180   74.437   14.215   69.437   14.587  165.364   15.908  159.636   16.910 5.727661 23.21668 
1 1 1  -19   15   27 o  439.899   9.4673  524.515   22.472  499.775   30.793  552.703   32.869  428.850   13.288  450.948   13.489 -22.09753 18.93450 
1 1 1  -19   15   28 o  235.606   13.934  151.059   17.740   0.0000   0.0000  151.059   17.740  ?   ?   235.606   13.934      ?      ? 
1 1 1  -19   15   29 o  219.248   10.372  133.967   11.926  116.644   18.540  146.194   15.576  206.615   16.606  231.880   12.431 -25.26556 20.74314 
1 1 1  -19   15   30 o  120.423   15.534   39.487   9.4801   45.023   16.191   36.599   11.694  125.350   24.782  115.495   18.738 9.855156 31.06824 
1 1 1  -19   15   31 o  354.465   6.2665  340.962   11.973  337.706   17.515  343.817   16.404  352.826   9.1869  356.104   8.5251 -3.278168 12.53298 
1 1 1  -19   15   32 o  217.537   6.6757  127.624   7.7867  135.077   11.899  122.042   10.297  223.005   9.8747  212.069   8.9860 10.93677 13.35131 
1 1 1  -19   15   33 o   94.337   13.150   26.114   6.4348   18.989   9.7539   31.604   8.5624   81.242   21.775  107.432   14.749 -26.19024 26.30035 
1 1 1  -19   15   34 o  189.692   7.2379   98.277   7.3589   94.379   11.009  101.426   9.8944  186.188   10.942  193.197   9.4776 -7.008987 14.47582 
1 1 1  -19   15   35 f  224.264   6.5565  135.712   7.8759  143.684   12.094  129.842   10.378  229.876   9.7365  218.652   8.7836 11.22340 13.11301 
1 1 1  -19   15   36 o  235.772   6.4535  151.349   8.1689  149.314   12.223  152.992   10.982  234.248   9.6561  237.295   8.5644 -3.046570 12.90692 
1 1 1  -19   15   37 o  155.098   8.2917   65.497   6.8775   67.671   10.583   63.908   9.0489  157.198   12.459  152.999   10.945 4.198914 16.58344 
1 1 1  -19   15   38 o  194.252   7.0559  103.070   7.3024  101.944   11.277  103.883   9.5827  193.180   10.803  195.323   9.0792 -2.142868 14.11171 
1 1 1  -19   15   39 o  234.446   6.5027  150.350   8.1708  144.793   12.235  154.824   10.977  230.380   9.8283  238.512   8.5173 -8.132202 13.00532 
1 1 1  -19   15   40 o   65.073   14.925   11.820   6.0235   10.038   9.1374   13.190   8.0105   62.341   21.899   67.806   20.286 -5.464733 29.85078 
1 1 1  -19   15   41 o   94.024   12.926   26.135   6.3198   20.141   9.4648   30.957   8.4896   82.486   21.138  105.561   14.883 -23.07504 25.85191 
1 1 1  -19   15   42 f  153.538   8.1615   66.862   6.5272   55.399   10.126   75.011   8.5378  141.491   13.244  165.585   9.5419 -24.09433 16.32302 
1 1 1  -19   15   43 o  144.340   8.4075   56.441   6.4956   65.473   10.058   49.980   8.5074  154.020   12.085  134.660   11.692 19.36041 16.81509 
1 1 1  -19   15   44 f  144.352   8.2991   56.132   6.3849   66.963   10.096   48.912   8.2427  155.591   12.008  133.114   11.459 22.47658 16.59828 
1 1 1  -19   15   45 o  249.671   8.4702  170.646   11.427   0.0000   0.0000  170.646   11.427  ?   ?   249.671   8.4702      ?      ? 
1 1 1  -19   15   46 o  158.143   8.1909   70.308   6.8181   64.535   10.668   74.293   8.8646  152.059   12.984  164.226   9.9891 -12.16646 16.38173 
1 1 1  -19   15   47 o  207.026   6.7720  118.531   7.5087  114.859   11.294  121.440   10.052  203.845   10.253  210.208   8.8494 -6.363373 13.54404 
1 1 1  -19   15   48 o   44.847   13.626   0.7575   5.9256  -0.7070   9.0988   1.8361   7.8085   44.703   19.616   44.991   18.919 -0.2879829 27.25266 
1 1 1  -19   15   49 o  146.210   8.8735   60.265   6.9451   58.226   10.448   61.880   9.2963  143.563   13.468  148.857   11.557 -5.293747 17.74697 
1 1 1  -19   15   50 o  253.407   6.5474  178.307   8.8859  171.372   13.329  183.855   11.921  248.520   9.9257  258.294   8.5412 -9.774368 13.09473 
1 1 1  -19   15   51 o  112.209   10.962   36.339   6.5642   37.147   10.138   35.755   8.6134  112.708   16.646  111.709   14.269 0.9988327 21.92494 
1 1 1  -19   15   52 o  158.227   8.6363   69.263   7.3037   80.688   11.399   61.308   9.5127  168.923   12.488  147.532   11.932 21.39148 17.27251 
1 1 1  -19   15   53 o   40.060   13.019  -4.1638   6.3855  -6.3456   10.091  -2.7066   8.2467   40.556   18.889   39.564   17.920 0.9919739 26.03721 
1 1 1  -19   15   54 o  210.772   7.2172  123.103   8.1602  136.134   12.494  113.409   10.776  220.168   10.502  201.377   9.9029 18.79099 14.43446 
1 1 1  -19   15   55 o  129.346   10.911   49.672   7.6044   54.509   11.253   45.606   10.316  135.123   15.412  123.568   15.450 11.55545 21.82278 
1 1 1  -19   15   56 o  157.292   19.814   89.161   16.382   87.320   24.100   90.743   22.336  152.090   30.387  162.494   25.438 -10.40446 39.62884 
1 1 1  -19   15   58 o   40.929   13.625  -7.2987   8.1440   1.7090   11.038 -18.0631   12.066   46.496   20.925   35.362   17.454 11.13422 27.24925 
1 1 1  -19   15   59 o  149.895   9.7406   66.966   7.7857   69.694   12.092   65.035   10.176  151.369   14.783  148.422   12.688 2.947159 19.48113 
1 1 1  -19   15   60 o   67.845   18.290   19.888   10.241   8.4887   15.524   28.671   13.627   55.517   24.915   80.174   26.785 -24.65724 36.58098 
1 1 1  -19   16    3 o   96.107   14.090   26.062   7.1788   20.626   10.476   30.875   9.8567   85.529   22.401  106.686   17.098 -21.15629 28.18052 
1 1 1  -19   16    4 o  361.203   8.7435  338.645   14.783  382.658   30.406  325.022   16.916  375.761   14.975  346.645   9.0310 29.11569 17.48707 
1 1 1  -19   16    5 o  392.385   6.7887  414.382   14.290  433.503   21.752  399.865   18.953  400.283   10.056  384.486   9.1224 15.79684 13.57746 
1 1 1  -19   16    6 o  435.855   8.6275  512.726   19.079  509.728   23.243  518.919   33.406  434.059   9.9097  437.651   14.126 -3.592316 17.25504 
1 1 1  -19   16    7 f  331.909   9.2625  297.994   16.612   0.0000   0.0000  297.994   16.612  ?   ?   331.909   9.2625      ?      ? 
1 1 1  -19   16    8 o  222.931   7.2276  134.382   8.6838  135.673   12.779  133.275   11.837  223.914   10.562  221.948   9.8693 1.965927 14.45516 
1 1 1  -19   16    9 o  471.191   7.0658  600.932   17.979  594.010   25.815  607.451   25.053  468.542   10.196  473.840   9.7847 -5.298645 14.13168 
1 1 1  -19   16   10 o  122.204   11.145   40.455   7.3540   41.499   10.652   39.504   10.166  123.704   15.935  120.703   15.586 3.000191 22.28974 
1 1 1  -19   16   11 o  238.575   7.0431  153.987   9.0788  151.847   12.725  156.206   12.957  236.888   9.9406  240.263   9.9802 -3.374924 14.08612 
1 1 1  -19   16   12 o  317.483   9.5170  272.738   16.327  272.738   16.327   0.0000   0.0000  317.483   9.5170  ?   ?       ?      ? 
1 1 1  -19   16   13 o  661.974   12.432  1187.15   44.470  1187.15   44.470   0.0000   0.0000  661.974   12.432  ?   ?       ?      ? 
1 1 1  -19   16   14 o  393.353   9.3030  418.696   19.774   0.0000   0.0000  418.696   19.774  ?   ?   393.353   9.3030      ?      ? 
1 1 1  -19   16   15 o  536.548   7.5806  779.468   21.978  771.800   31.106  787.111   31.057  533.907   10.782  539.189   10.659 -5.282532 15.16128 
1 1 1  -19   16   16 o  547.323   7.7355  810.825   22.873  788.331   32.029  834.236   32.676  539.574   10.985  555.072   10.894 -15.49768 15.47099 
1 1 1  -19   16   17 o  551.521   7.6998  823.703   22.944  820.865   32.694  826.457   32.207  550.573   10.989  552.468   10.788 -1.894775 15.39961 
1 1 1  -19   16   18 f  312.987   8.8669  265.097   14.996   0.0000   0.0000  265.097   14.996  ?   ?   312.987   8.8669      ?      ? 
1 1 1  -19   16   19 o  311.590   6.4706  262.708   10.887  265.692   15.732  259.965   15.081  313.278   9.2933  309.902   9.0060 3.376373 12.94111 
1 1 1  -19   16   20 o  235.674   6.8358  150.326   8.6858  151.780   12.745  149.065   11.869  236.720   9.9636  234.628   9.3615 2.092911 13.67153 
1 1 1  -19   16   21 o  132.586   10.362   48.611   7.2714   42.530   11.024   53.295   9.6744  125.026   16.317  140.147   12.775 -15.12054 20.72320 
1 1 1  -19   16   22 o  357.986   7.9894  342.976   14.759  332.849   18.206  362.387   25.206  350.549   9.6114  365.423   12.765 -14.87424 15.97882 
1 1 1  -19   16   23 o  426.805   9.3283  494.176   21.503  481.306   29.824  508.108   31.030  421.036   13.109  432.573   13.275 -11.53705 18.65654 
1 1 1  -19   16   24 o  305.094   8.9429  252.589   14.738  262.613   21.087  243.018   20.606  311.020   12.547  299.169   12.747 11.85104 17.88589 
1 1 1  -19   16   25 o  271.874   9.1367  200.643   13.414  190.878   18.681  211.036   19.273  265.037   13.044  278.710   12.797 -13.67328 18.27343 
1 1 1  -19   16   26 o  301.859   7.8132  255.261   12.087  219.977   19.801  276.214   15.259  284.451   12.882  319.268   8.8447 -34.81714 15.62640 
1 1 1  -19   16   27 o  187.003   12.743  102.484   11.920   73.311   19.125  121.013   15.242  163.148   21.693  210.859   13.377 -47.71065 25.48606 
1 1 1  -19   16   28 o   70.225   18.168   10.107   9.9521  -7.4144   17.314   18.752   12.162   58.477   26.273   81.974   25.100 -23.49697 36.33564 
1 1 1  -19   16   29 o  231.811   8.0660  147.056   9.9689  152.701   13.220  139.617   15.178  237.132   10.317  226.490   12.401 10.64124 16.13196 
1 1 1  -19   16   30 o  290.680   6.3755  229.173   9.9581  230.261   14.907  228.297   13.382  291.237   9.4723  290.122   8.5359 1.115234 12.75095 
1 1 1  -19   16   31 o  160.499   8.2184   70.468   7.0304   68.266   10.780   72.098   9.2741  158.192   12.611  162.806   10.542 -4.614258 16.43670 
1 1 1  -19   16   32 o  336.140   6.3623  307.591   11.508  297.940   16.910  315.918   15.707  331.127   9.4508  341.153   8.5204 -10.02618 12.72457 
1 1 1  -19   16   33 o  118.970   10.397   38.501   6.6347   41.032   10.131   36.601   8.7796  122.296   15.330  115.644   14.050 6.652077 20.79403 
1 1 1  -19   16   34 o  271.100   6.3457  199.844   9.2506  198.659   13.757  200.822   12.498  270.286   9.4193  271.915   8.5058 -1.629150 12.69140 
1 1 1  -19   16   35 o  153.418   8.3451   64.397   6.8786   63.678   10.260   64.985   9.2708  152.541   12.447  154.296   11.119 -1.755081 16.69018 
1 1 1  -19   16   36 o   92.858   13.353   25.579   6.4781   18.454   9.8321   31.045   8.6115   79.621   22.081  106.095   15.021 -26.47415 26.70563 
1 1 1  -19   16   37 o  181.612   7.4418   90.527   7.2052   87.124   11.016   93.071   9.5252  178.441   11.424  184.783   9.5395 -6.341263 14.88357 
1 1 1  -19   16   38 o  215.082   8.9835  126.038   10.441   0.0000   0.0000  126.038   10.441  ?   ?   215.082   8.9835      ?      ? 
1 1 1  -19   16   39 o  173.795   7.8315   83.860   7.2499   74.005   10.773   92.017   9.8013  164.089   12.150  183.500   9.8846 -19.41066 15.66293 
1 1 1  -19   16   40 o   68.131   14.838   13.239   5.9525   14.595   9.1224   12.234   7.8551   70.918   21.742   65.344   20.199 5.574066 29.67692 
1 1 1  -19   16   41 o  149.564   8.4315   61.916   6.7520   59.450   10.139   63.882   9.0511  146.654   12.794  152.474   10.985 -5.820221 16.86306 
1 1 1  -19   16   42 o   46.517   13.711   0.9479   5.7077   5.5197   9.0675  -2.0525   7.3457   53.917   21.215   39.118   17.374 14.79893 27.42157 
1 1 1  -19   16   43 f   62.873   15.147   10.704   6.0363   12.718   9.7441   9.4492   7.6894   66.963   22.649   58.783   20.118 8.180462 30.29352 
1 1 1  -19   16   44 o   67.847   14.775   12.811   6.0333   18.680   9.3550   8.6312   7.8945   78.494   21.447   57.201   20.328 21.29299 29.54970 
1 1 1  -19   16   45 o  101.306   12.011   29.778   6.2633   29.435   9.9223   30.006   8.0754   99.386   19.170  103.226   14.477 -3.840050 24.02281 
1 1 1  -19   16   46 o  295.543   8.3446  239.637   13.327   0.0000   0.0000  239.637   13.327  ?   ?   295.543   8.3446      ?      ? 
1 1 1  -19   16   47 o  188.415   7.4749   97.480   7.5184  104.115   11.719   92.839   9.8018  193.520   11.206  183.310   9.8953 10.21025 14.94981 
1 1 1  -19   16   48 o   84.144   13.672   22.741   6.2952   14.031   9.8767   28.701   8.1697   68.095   22.803  100.194   15.090 -32.09910 27.34374 
1 1 1  -19   16   49 o  277.489   9.7344  213.498   14.596  213.498   14.596   0.0000   0.0000  277.489   9.7344  ?   ?       ?      ? 
1 1 1  -19   16   50 o  105.539   12.181   31.052   6.4240   52.840   10.419   17.691   8.1593  135.824   14.196   75.254   19.798 60.56996 24.36203 
1 1 1  -19   16   51 o  126.218   10.726   47.817   6.9496   37.815   10.861   54.751   9.0434  113.066   17.776  139.370   12.008 -26.30383 21.45207 
1 1 1  -19   16   52 o  216.142   7.0162  128.296   8.0693  142.903   12.807  118.678   10.391  225.751   10.498  206.533   9.3111 19.21815 14.03244 
1 1 1  -19   16   53 o  171.052   8.4228   83.591   7.6131   80.350   11.932   85.816   9.8870  167.293   13.199  174.811   10.467 -7.518036 16.84552 
1 1 1  -19   16   54 o  190.464   8.1163  104.497   8.2301   98.354   12.512  109.181   10.926  184.463   12.553  196.464   10.292 -12.00084 16.23268 
1 1 1  -19   16   55 o  190.412   17.017  130.172   14.170   58.446   20.537  195.338   19.576  122.397   31.014  258.426   14.018 -136.0294 34.03493 
1 1 1  -19   16   57 o   47.024   15.036   0.8045   8.4341   5.8236   10.812  -6.9955   13.479   50.574   21.794   43.475   20.722 7.099159 30.07277 
1 1 1  -19   16   58 o   44.903   14.270   0.1207   7.0908   3.3205   11.167  -2.0411   9.1787   49.178   21.652   40.627   18.595 8.551300 28.54082 
1 1 1  -19   16   59 o   65.829   18.467   18.372   9.7009   21.435   14.862   16.099   12.805   68.712   27.122   62.947   25.070 5.765175 36.93345 
1 1 1  -19   17    2 o  131.350   10.404   46.942   7.3575   42.887   10.495   50.861   10.318  125.729   15.447  136.972   13.940 -11.24366 20.80721 
1 1 1  -19   17    3 o   75.623   15.976   15.730   7.0469   14.170   9.9248   17.316   10.007   72.495   22.754   78.750   22.433 -6.255074 31.95234 
1 1 1  -19   17    4 o  277.547   6.8313  208.835   10.227  197.798   14.618  219.418   14.314  270.335   10.007  284.760   9.3022 -14.42496 13.66254 
1 1 1  -19   17    5 o  323.780   15.610  284.459   27.312  284.459   27.312   0.0000   0.0000  323.780   15.610  ?   ?       ?      ? 
1 1 1  -19   17    6 o  194.328   7.9381  102.089   8.3261  105.688   12.134   98.887   11.446  197.553   11.367  191.102   11.084 6.450577 15.87627 
1 1 1  -19   17    7 o  608.297   10.245  983.442   31.065  953.010   37.056  1055.41   56.984  593.196   11.560  623.398   16.916 -30.20190 20.48904 
1 1 1  -19   17    8 o  265.253   6.9127  190.424   9.9027  190.547   14.246  190.309   13.775  265.328   9.9363  265.178   9.6131 0.1509399 13.82537 
1 1 1  -19   17    9 o  369.406   6.6459  369.403   13.261  357.677   18.772  381.082   18.735  363.543   9.5559  375.270   9.2388 -11.72635 13.29172 
1 1 1  -19   17   10 o  273.252   6.7784  200.709   9.9581  174.574   13.532  231.577   14.707  253.969   9.8606  292.536   9.3036 -38.56734 13.55682 
1 1 1  -19   17   11 o  626.575   8.4116  1063.46   28.480  1058.49   40.270  1068.43   40.283  625.108   11.922  628.043   11.870 -2.935730 16.82312 
1 1 1  -19   17   12 o  379.451   9.3612  389.649   19.194   0.0000   0.0000  389.649   19.194  ?   ?   379.451   9.3612      ?      ? 
1 1 1  -19   17   13 o  404.114   9.4684  441.995   20.676   0.0000   0.0000  441.995   20.676  ?   ?   404.114   9.4684      ?      ? 
1 1 1  -19   17   14 o  424.600   9.7250  488.051   22.313  488.051   22.313   0.0000   0.0000  424.600   9.7250  ?   ?       ?      ? 
1 1 1  -19   17   16 o  409.752   6.7476  454.607   14.935  438.823   21.006  470.745   21.240  402.548   9.6567  416.956   9.4271 -14.40732 13.49522 
1 1 1  -19   17   17 o  427.404   6.8309  494.551   15.755  498.456   22.918  491.053   21.695  428.979   9.8869  425.830   9.4284 3.148865 13.66184 
1 1 1  -19   17   18 o  470.528   9.9018  599.733   25.176   0.0000   0.0000  599.733   25.176  ?   ?   470.528   9.9018      ?      ? 
1 1 1  -19   17   19 o  655.766   10.743  1143.01   35.237  1102.23   42.107  1238.29   64.365  637.415   12.225  674.117   17.670 -36.70221 21.48638 
1 1 1  -19   17   20 o  667.780   12.396  1211.53   44.628  1161.71   60.667  1270.27   65.883  652.979   17.194  682.581   17.862 -29.60229 24.79250 
1 1 1  -19   17   21 o  413.085   9.4124  463.384   21.006  469.144   30.055  457.883   29.372  415.582   13.383  410.588   13.238 4.994324 18.82478 
1 1 1  -19   17   22 o  102.690   17.127   30.526   9.3604   34.167   12.640   26.104   13.929  109.692   22.088   95.689   26.180 14.00238 34.25335 
1 1 1  -19   17   23 o  487.983   10.087  647.408   26.570  662.838   38.633  633.558   36.601  493.438   14.489  482.529   14.037 10.90967 20.17354 
1 1 1  -19   17   24 f  383.594   7.9559  383.523   15.099  439.414   28.462  361.632   17.812  401.922   13.105  365.265   9.0246 36.65738 15.91180 
1 1 1  -19   17   25 o  426.360   8.8237  509.477   18.878  451.802   32.535  538.751   23.179  407.047   14.792  445.673   9.6248 -38.62534 17.64733 
1 1 1  -19   17   26 o  211.003   11.024  120.979   12.448  126.059   19.135  117.252   16.389  214.686   16.495  207.320   14.630 7.365845 22.04753 
1 1 1  -19   17   27 o  175.238   11.930   81.114   11.051   99.099   18.077   70.383   13.964  190.087   17.599  160.389   16.112 29.69795 23.86030 
1 1 1  -19   17   28 o  220.915   7.2006  133.511   8.5239  123.867   12.612  141.620   11.565  213.426   10.936  228.404   9.3703 -14.97748 14.40125 
1 1 1  -19   17   29 o   88.310   13.975   20.745   6.8868   34.983   10.662   10.552   9.0212  112.738   17.501   63.883   21.791 48.85475 27.94921 
1 1 1  -19   17   30 o  128.097   10.552   45.786   7.1445   40.042   10.867   50.159   9.4818  120.669   16.666  135.526   12.947 -14.85750 21.10408 
1 1 1  -19   17   31 o  392.988   6.5919  420.064   13.965  412.854   20.363  426.467   19.190  389.717   9.6693  396.259   8.9619 -6.542328 13.18374 
1 1 1  -19   17   32 o  215.286   7.0105  126.346   8.0792  124.294   12.239  127.930   10.755  213.626   10.603  216.945   9.1745 -3.319885 14.02101 
1 1 1  -19   17   33 o  275.696   6.4581  207.548   9.5571  198.960   14.188  214.680   12.931  270.334   9.7128  281.058   8.5140 -10.72360 12.91620 
1 1 1  -19   17   34 o  234.479   6.7602  149.808   8.5044  149.484   12.804  150.063   11.376  234.137   10.120  234.821   8.9654 -0.6848145 13.52038 
1 1 1  -19   17   35 o   95.417   13.062   26.041   6.5526   24.025   9.7340   27.711   8.8610   90.842   20.337   99.992   16.399 -9.150818 26.12496 
1 1 1  -19   17   36 o  113.546   11.838   37.987   6.7148   26.931   10.023   46.990   9.0445   96.296   19.919  130.796   12.797 -34.49976 23.67531 
1 1 1  -19   17   37 o  236.640   6.7383  153.981   8.5418  141.353   12.600  164.722   11.620  227.407   10.253  245.873   8.7457 -18.46602 13.47657 
1 1 1  -19   17   38 o  139.825   9.1722   54.383   6.7950   51.547   10.546   56.396   8.8852  136.366   14.312  143.283   11.476 -6.917862 18.34438 
1 1 1  -19   17   39 o  106.928   15.136   31.862   8.7454   0.0000   0.0000   31.862   8.7454  ?   ?   106.928   15.136      ?      ? 
1 1 1  -19   17   40 o   79.954   14.160   18.120   6.1507   25.570   9.5964   12.926   8.0130   93.139   19.684   66.768   20.360 26.37054 28.31930 
1 1 1  -19   17   41 f  219.158   6.7239  130.781   7.9053  138.554   12.052  124.910   10.473  224.697   9.9257  213.619   9.0732 11.07813 13.44778 
1 1 1  -19   17   42 f  138.104   8.9811   52.033   6.6065   58.900   10.464   47.481   8.5191  145.342   13.323  130.865   12.047 14.47701 17.96226 
1 1 1  -19   17   43 o   88.153   13.324   24.876   6.3372   12.520   9.7516   33.909   8.3380   66.312   22.656  109.994   14.028 -43.68180 26.64745 
1 1 1  -19   17   44 o  197.808   7.3033  106.693   7.6565  115.168   12.257  101.270   9.8049  203.815   11.129  191.801   9.4603 12.01451 14.60658 
1 1 1  -19   17   45 f  147.657   8.8350   62.089   6.8873   53.979   10.464   68.288   9.1485  138.356   13.996  156.957   10.787 -18.60027 17.66997 
1 1 1  -19   17   46 o  112.001   10.979   35.843   6.5918   35.727   9.9436   35.934   8.8044  111.442   16.512  112.559   14.475 -1.117027 21.95886 
1 1 1  -19   17   47 o  116.271   10.841   38.381   6.7210   41.150   10.519   36.471   8.7372  119.335   16.312  113.207   14.283 6.128365 21.68103 
1 1 1  -19   17   48 o  176.516   7.8529   83.543   7.3122  104.584   12.049   71.276   9.1999  193.147   11.545  159.884   10.649 33.26294 15.70577 
1 1 1  -19   17   49 f  126.777   10.236   47.263   6.7212   41.314   10.716   51.120   8.6295  118.803   16.693  134.750   11.851 -15.94688 20.47194 
1 1 1  -19   17   50 o   95.096   13.830   28.382   6.8659   23.933   10.629   31.569   8.9941   86.076   22.573  104.116   15.986 -18.03966 27.66095 
1 1 1  -19   17   51 o  160.915   8.6024   73.687   7.4281   72.332   11.106   74.784   9.9922  159.071   12.920  162.759   11.361 -3.688324 17.20474 
1 1 1  -19   17   52 o  213.006   7.4199  127.397   8.4440  128.367   12.954  126.680   11.135  213.095   11.250  212.917   9.6780 0.1779327 14.83978 
1 1 1  -19   17   53 o   96.241   14.139   30.421   7.1936   25.371   10.675   34.622   9.7365   85.896   22.668  106.586   16.905 -20.69018 28.27751 
1 1 1  -19   17   54 o  239.873   14.994  170.045   19.436   0.0000   0.0000  170.045   19.436  ?   ?   239.873   14.994      ?      ? 
1 1 1  -19   17   55 o   79.792   21.125   19.256   15.161   45.968   20.804 -11.0000   22.140  104.272   32.972   55.313   26.418 48.95867 42.24992 
1 1 1  -19   17   56 o  126.242   11.705   51.250   7.8564   46.986   11.767   54.680   10.553  119.387   18.240  133.096   14.673 -13.70894 23.40920 
1 1 1  -19   17   57 o   83.136   16.233   24.921   7.5198   29.455   11.376   21.401   10.022   89.712   23.269   76.560   22.641 13.15253 32.46631 
1 1 1  -19   17   58 o   43.111   14.626  -8.0035   9.8752 -12.3063   13.978  -3.7162   13.953   40.749   19.833   45.473   21.502 -4.723923 29.25226 
1 1 1  -19   18    1 o  238.907   10.117  154.523   13.061  154.523   13.061   0.0000   0.0000  238.907   10.117  ?   ?       ?      ? 
1 1 1  -19   18    2 o  127.485   10.583   44.539   7.2162   50.112   9.9975   38.476   10.427  135.942   13.610  119.027   16.211 16.91475 21.16643 
1 1 1  -19   18    3 o  313.349   6.6892  265.940   11.318  259.038   16.178  272.555   15.839  309.352   9.6783  317.346   9.2365 -7.994873 13.37838 
1 1 1  -19   18    4 o  399.181   6.7827  430.988   14.622  410.953   20.400  452.158   20.970  389.640   9.6890  408.722   9.4945 -19.08228 13.56547 
1 1 1  -19   18    5 o  461.499   7.1044  575.930   17.706  550.451   24.590  603.364   25.516  450.907   10.092  472.090   10.002 -21.18335 14.20887 
1 1 1  -19   18    6 o  306.605   9.5518  254.194   13.273  256.306   27.850  253.574   15.098  307.117   16.782  306.093   9.1283 1.023926 19.10365 
1 1 1  -19   18    7 o  593.818   11.518  955.397   36.958   0.0000   0.0000  955.397   36.958  ?   ?   593.818   11.518      ?      ? 
1 1 1  -19   18    8 o  414.111   8.5865  446.633   17.562  422.104   20.698  509.685   33.185  394.849   9.7009  433.373   14.171 -38.52466 17.17294 
1 1 1  -19   18    9 o   99.850   20.982   28.214   10.961   28.214   10.961   0.0000   0.0000   99.850   20.982  ?   ?       ?      ? 
1 1 1  -19   18   10 o  507.914   7.3885  698.886   20.277  694.211   28.790  703.487   28.563  506.219   10.525  509.609   10.372 -3.390106 14.77694 
1 1 1  -19   18   11 o  256.772   6.8203  178.576   9.4617  176.840   13.461  180.271   13.302  255.532   9.7485  258.012   9.5412 -2.479614 13.64061 
1 1 1  -19   18   12 o  118.888   11.975   38.364   7.6462   32.818   10.522   44.569   11.130  109.766   17.740  128.009   16.091 -18.24274 23.95012 
1 1 1  -19   18   13 o  192.707   11.296  100.672   11.763   0.0000   0.0000  100.672   11.763  ?   ?   192.707   11.296      ?      ? 
1 1 1  -19   18   14 o  205.770   7.9014  115.365   8.7406  105.989   12.654  123.921   12.088  197.691   11.845  213.850   10.461 -16.15869 15.80289 
1 1 1  -19   18   15 o  143.296   10.185   55.554   7.8637   58.886   11.676   52.788   10.638  147.196   14.679  139.397   14.123 7.799225 20.37029 
1 1 1  -19   18   16 o  279.551   8.1794  209.242   11.942  201.847   14.946  222.297   19.858  272.930   10.134  286.172   12.842 -13.24173 16.35876 
1 1 1  -19   18   17 o  160.500   11.653   70.158   10.099   70.158   14.010   70.158   14.571  160.526   16.151  160.475   16.804 0.5052185E-01 23.30696 
1 1 1  -19   18   18 o  250.051   9.2572  169.769   12.496  180.248   17.864  159.730   17.486  257.630   12.832  242.473   13.346 15.15660 18.51432 
1 1 1  -19   18   19 o  329.228   8.9199  293.912   15.845  285.811   21.706  303.153   23.182  324.411   12.382  334.044   12.843 -9.632599 17.83990 
1 1 1  -19   18   20 o  422.460   9.3937  485.012   21.434  476.126   29.755  494.595   30.901  418.467   13.159  426.454   13.410 -7.987061 18.78750 
1 1 1  -19   18   21 o  425.888   8.3141  482.307   17.790  520.946   32.209  465.345   21.341  437.507   13.624  414.269   9.5331 23.23810 16.62810 
1 1 1  -19   18   22 o  195.842   7.8520  103.422   8.2784  113.293   12.370   95.416   11.141  204.236   11.209  187.449   10.999 16.78687 15.70390 
1 1 1  -19   18   23 o  283.733   6.9310  216.471   10.481  229.948   16.431  207.227   13.608  291.030   10.448  276.437   9.1101 14.59271 13.86190 
1 1 1  -19   18   24 o  253.702   10.397  177.303   14.081  163.040   21.096  188.761   18.909  244.182   15.988  263.223   13.294 -19.04045 20.79332 
1 1 1  -19   18   25 o   61.598   18.056  -0.2620   10.029   11.302   16.024  -7.7072   12.858   74.565   28.511   48.631   22.163 25.93384 36.11168 
1 1 1  -19   18   26 o   94.991   16.405   26.470   8.2636   28.462   10.643   23.446   13.113   99.732   20.435   90.250   25.669 9.481972 32.80980 
1 1 1  -19   18   27 f  114.526   11.572   36.186   7.1202   34.308   10.476   37.798   9.7069  111.633   17.367  117.419   15.299 -5.785698 23.14415 
1 1 1  -19   18   28 o  333.259   6.6089  302.348   11.872  291.204   17.207  312.474   16.401  327.309   9.7286  339.209   8.9479 -11.90009 13.21781 
1 1 1  -19   18   29 o  100.531   13.330   28.035   7.0089   38.229   10.543   19.960   9.3827  117.890   16.550   83.172   20.902 34.71835 26.66013 
1 1 1  -19   18   30 o  157.904   8.9938   69.466   7.5232   58.022   11.136   79.076   10.204  145.489   14.164  170.320   11.087 -24.83086 17.98757 
1 1 1  -19   18   31 o  297.047   6.5682  241.000   10.473  231.008   15.545  249.305   14.172  291.251   9.8775  302.842   8.6604 -11.59058 13.13648 
1 1 1  -19   18   32 o  112.925   12.179   37.239   6.9395   27.211   10.273   45.657   9.4117   96.910   20.268  128.940   13.508 -32.03008 24.35712 
1 1 1  -19   18   33 o  271.560   6.5592  201.078   9.5639  199.088   14.316  202.682   12.852  270.216   9.8047  272.904   8.7155 -2.688232 13.11838 
1 1 1  -19   18   34 o   78.156   14.790   18.269   6.5176   12.754   9.9866   22.361   8.6022   68.418   22.930   87.894   18.687 -19.47669 29.57997 
1 1 1  -19   18   35 o  416.267   6.7490  472.858   15.149  471.720   22.137  473.861   20.775  415.661   9.8560  416.873   9.2227 -1.212677 13.49807 
1 1 1  -19   18   36 o  130.115   9.9151   46.569   6.8820   48.569   10.708   45.161   8.9826  132.264   14.983  127.966   12.990 4.297432 19.83025 
1 1 1  -19   18   37 o  245.643   6.6690  165.863   8.7978  154.622   12.890  175.666   12.037  237.616   10.039  253.669   8.7817 -16.05362 13.33794 
1 1 1  -19   18   38 o  235.999   6.6251  152.110   8.3515  154.012   12.852  150.721   10.988  237.060   10.033  234.939   8.6549 2.121536 13.25012 
1 1 1  -19   18   39 o   89.665   13.336   23.729   6.2358   21.272   9.8801   25.356   8.0393   84.215   21.605   95.114   15.642 -10.89931 26.67289 
1 1 1  -19   18   40 o   59.294   14.895   8.0931   6.1362   14.243   9.5288   3.7359   8.0207   69.753   22.342   48.836   19.705 20.91750 29.79032 
1 1 1  -19   18   41 o   99.402   12.147   27.553   6.2636   32.897   10.305   24.422   7.8882  107.242   17.782   91.561   16.552 15.68057 24.29358 
1 1 1  -19   18   42 f   51.669   14.607   4.8401   6.1653   2.8086   9.6641   6.2342   8.0061   50.595   21.147   52.744   20.156 -2.148506 29.21397 
1 1 1  -19   18   43 o  164.751   8.0487   75.844   7.0393   72.962   10.903   77.904   9.2178  161.589   12.487  167.914   10.159 -6.324844 16.09747 
1 1 1  -19   18   44 o   59.150   14.693   7.0895   6.1510   17.161   9.9622   0.8846   7.8196   74.614   22.691   43.685   18.673 30.92817 29.38602 
1 1 1  -19   18   45 o  118.198   10.904   39.580   6.8366   42.010   10.868   37.988   8.7948  120.616   16.674  115.780   14.057 4.836807 21.80896 
1 1 1  -19   18   46 o  218.804   7.0588  132.646   8.2175  133.717   12.801  131.895   10.717  219.060   10.814  218.547   9.0749 0.5128784 14.11751 
1 1 1  -19   18   47 o   78.003   15.090   18.845   6.4561   21.950   10.187   16.760   8.3466   82.821   22.276   73.185   20.362 9.636223 30.17974 
1 1 1  -19   18   48 o   90.365   13.589   23.572   6.7044   39.583   10.541   12.695   8.6883  116.262   16.778   64.467   21.382 51.79576 27.17881 
1 1 1  -19   18   49 o   84.890   15.036   23.311   6.8376   21.014   10.799   24.848   8.8339   80.071   23.453   89.709   18.824 -9.638016 30.07280 
1 1 1  -19   18   50 o  205.785   7.5013  118.697   8.2281  120.432   12.751  117.458   10.771  206.441   11.431  205.129   9.7168 1.312714 15.00252 
1 1 1  -19   18   51 o  110.397   12.417   37.470   7.0643   34.899   10.876   39.345   9.2910  104.892   19.917  115.902   14.835 -11.01099 24.83484 
1 1 1  -19   18   52 o   85.481   15.255   23.633   7.0325   32.148   11.147   18.003   9.0640   98.007   21.628   72.954   21.520 25.05322 30.51006 
1 1 1  -19   18   53 o  358.370   12.199  323.763   20.957  179.234   24.935  671.396   38.672  239.906   19.235  476.833   15.009 -236.9280 24.39759 
1 1 1  -19   18   54 o   35.704   12.797 -42.8553   11.269 -38.3784   18.262 -45.6081   14.320   39.836   19.952   31.571   16.030 8.264759 25.59376 
1 1 1  -19   18   55 o  173.915   8.9493   89.631   8.3599   99.669   12.701   81.958   11.105  182.072   12.910  165.759   12.398 16.31293 17.89853 
1 1 1  -19   18   56 o  135.636   14.238   56.660   9.5922   36.177   12.050   92.095   15.849  100.597   22.706  170.675   17.184 -70.07792 28.47535 
1 1 1  -19   18   57 o   70.679   18.448   20.163   10.024   35.180   15.147   8.4617   13.371   87.093   28.197   54.265   23.796 32.82815 36.89629 
1 1 1  -19   19    1 o  518.253   10.559  727.826   29.569   0.0000   0.0000  727.826   29.569  ?   ?   518.253   10.559      ?      ? 
1 1 1  -19   19    2 o   80.427   15.423   17.714   7.0853   25.162   10.451   11.380   9.6384   94.130   21.072   66.724   22.525 27.40620 30.84528 
1 1 1  -19   19    3 o  212.671   10.370  122.550   11.917   0.0000   0.0000  122.550   11.917  ?   ?   212.671   10.370      ?      ? 
1 1 1  -19   19    4 o  262.118   6.9640  186.105   9.8589  178.329   13.864  194.061   14.023  256.569  10.0000  267.668   9.6949 -11.09903 13.92804 
1 1 1  -19   19    5 o  229.898   7.5688  143.323   9.3931  135.673   13.269  151.007   13.298  223.727   10.976  236.069   10.425 -12.34245 15.13763 
1 1 1  -19   19    6 o   86.749   16.046   21.482   7.8571   13.971   11.326   28.450   10.909   73.278   24.418  100.221   20.824 -26.94286 32.09136 
1 1 1  -19   19    7 o  345.956   9.4654  326.035   15.298  322.748   30.569  327.133   17.669  344.365   16.427  347.546   9.4084 -3.180786 18.93082 
1 1 1  -19   19    8 o  262.876   7.2201  187.314   10.251  180.997   14.522  193.588   14.472  258.443   10.399  267.309   10.019 -8.866455 14.44014 
1 1 1  -19   19    9 o   98.420   29.628   27.095   17.048   0.0000   0.0000   27.095   17.048  ?   ?    98.420   29.628      ?      ? 
1 1 1  -19   19   10 o  432.401   7.0816  506.557   16.545  497.905   23.297  515.363   23.501  428.671   10.057  436.132   9.9722 -7.461182 14.16324 
1 1 1  -19   19   11 o  414.377   8.2779  464.067   17.857  459.504   22.375  472.072   29.634  411.796   10.055  416.958   13.152 -5.162292 16.55579 
1 1 1  -19   19   12 o  292.217   8.5875  231.815   13.555  237.387   19.071  226.126   19.268  295.790   11.932  288.645   12.354 7.144867 17.17499 
1 1 1  -19   19   13 o  193.680   10.068  101.539   10.506   91.374   14.380  113.176   15.386  183.305   14.518  204.055   13.953 -20.74980 20.13633 
1 1 1  -19   19   14 o   81.394   18.114   17.148   9.1210   10.766   12.296   24.955   13.600   69.120   25.264   93.667   25.967 -24.54693 36.22891 
1 1 1  -19   19   15 o  319.223   8.8169  276.775   15.198  276.126   21.086  277.477   21.925  318.865   12.238  319.581   12.696 -0.7166443 17.63389 
1 1 1  -19   19   16 o  133.043   13.614   48.593   9.7564   50.338   13.432   46.644   14.195  135.662   18.323  130.424   20.142 5.237549 27.22879 
1 1 1  -19   19   17 o  190.910   9.2033   95.470   9.1737  113.176   15.548   86.014   11.362  203.878   14.113  177.942   11.817 25.93588 18.40668 
1 1 1  -19   19   19 o  160.090   9.9839   72.685   8.2001   47.789   11.796   95.967   11.407  132.223   16.510  187.957   11.231 -55.73427 19.96778 
1 1 1  -19   19   20 o  367.602   6.7257  366.732   13.344  363.626   19.304  369.573   18.466  366.072   9.7589  369.132   9.2576 -3.060028 13.45140 
1 1 1  -19   19   21 o  277.303   6.8523  208.961   10.253  197.704   14.580  219.976   14.422  269.865   9.9980  284.741   9.3731 -14.87665 13.70458 
1 1 1  -19   19   22 o  191.343   12.519  100.491   12.418  100.563   20.700  100.450   15.522  190.968   20.059  191.718   14.983 -0.7508392 25.03710 
1 1 1  -19   19   23 o  373.604   9.8477  382.615   19.785  364.189   29.005  398.649   27.057  364.929   14.709  382.279   13.098 -17.35046 19.69543 
1 1 1  -19   19   24 o  221.175   11.383  134.004   13.426  136.014   20.793  132.568   17.584  222.322   17.308  220.027   14.789 2.294571 22.76563 
1 1 1  -19   19   25 o  172.651   8.4582   81.186   7.8821   86.809   11.337   75.924   10.967  178.458   11.756  166.844   12.164 11.61398 16.91639 
1 1 1  -19   19   26 o  105.261   13.413   33.799   7.0785   19.489   10.700   44.934   9.4389   82.326   23.108  128.196   13.626 -45.87046 26.82627 
1 1 1  -19   19   27 o  244.745   9.4909  162.837   12.552   0.0000   0.0000  162.837   12.552  ?   ?   244.745   9.4909      ?      ? 
1 1 1  -19   19   28 o  130.395   10.260   47.330   7.1229   40.614   10.467   53.123   9.7210  121.444   15.950  139.346   12.910 -17.90228 20.51985 
1 1 1  -19   19   29 o   76.332   15.526   16.809   6.7484   16.091   9.8435   17.446   9.2695   75.031   22.497   77.634   21.405 -2.603104 31.05276 
1 1 1  -19   19   30 o  136.240   9.6311   51.598   6.9900   46.464   10.467   55.731   9.3909  129.823   14.921  142.656   12.182 -12.83327 19.26213 
1 1 1  -19   19   31 o  126.340   10.300   43.548   6.9764   47.585   10.708   40.570   9.1960  131.281   15.095  121.398   14.018 9.882706 20.60006 
1 1 1  -19   19   32 o  140.403   9.4343   53.689   7.1079   63.466   10.596   45.691   9.5840  151.992   12.901  128.815   13.769 23.17711 18.86857 
1 1 1  -19   19   33 o   57.583   15.461   6.8277   6.5894   9.1994   10.123   5.0840   8.6801   62.177   22.893   52.989   20.787 9.187721 30.92208 
1 1 1  -19   19   34 o  272.674   6.6190  204.691   9.6678  185.318   14.179  221.524   13.217  260.287   10.081  285.061   8.5802 -24.77426 13.23796 
1 1 1  -19   19   35 o   61.706   15.412   9.3933   6.4356   13.267   9.8144   6.4712   8.5240   68.674   22.723   54.739   20.827 13.93535 30.82323 
1 1 1  -19   19   36 o  231.259   6.9907  145.452   8.6830  155.596   13.174  137.661   11.546  238.226   10.234  224.293   9.5262 13.93277 13.98139 
1 1 1  -19   19   37 o  278.981   6.5309  213.268   9.8131  209.029   14.391  216.952   13.416  276.228   9.6412  281.733   8.8125 -5.504730 13.06189 
1 1 1  -19   19   38 o  130.807   9.7504   47.063   6.7809   51.158   10.755   44.361   8.7358  135.187   14.723  126.428   12.787 8.758865 19.50086 
1 1 1  -19   19   39 o  308.220   6.4080  260.827   10.618  257.549   15.780  263.539   14.352  306.202   9.5371  310.238   8.5612 -4.035461 12.81603 
1 1 1  -19   19   40 o  117.890   10.558   39.230   6.6047   38.727   10.310   39.580   8.6013  116.769   16.340  119.010   13.375 -2.240196 21.11577 
1 1 1  -19   19   41 o   57.046   14.947   8.1674   6.2044   5.2360   9.5316   10.323   8.1729   53.562   21.527   60.529   20.741 -6.966801 29.89337 
1 1 1  -19   19   42 o  124.057   10.424   40.749   6.7551   57.994   11.333   31.245   8.4129  143.120   14.654  104.993   14.829 38.12728 20.84755 
1 1 1  -19   19   43 o  204.605   7.4883  116.799   8.1517  111.707   12.514  120.552   10.744  200.199   11.567  209.012   9.5129 -8.813080 14.97667 
1 1 1  -19   19   44 o   51.605   14.889   3.9367   6.4766   7.7748   10.295   1.4224   8.3322   57.870   22.656   45.341   19.325 12.52843 29.77808 
1 1 1  -19   19   45 o  269.323   6.7193  200.620   9.7012  203.074   14.705  198.727   12.909  270.379   10.065  268.267   8.9052 2.111237 13.43866 
1 1 1  -19   19   46 o   40.328   13.084  -4.9010   6.5805 -10.3816   10.315  -1.1396   8.5452   38.331   18.230   42.326   18.772 -3.994686 26.16732 
1 1 1  -19   19   47 o   81.843   14.475   19.589   6.5414   31.409   10.459   11.994   8.3836  100.745   19.918   62.941   21.009 37.80395 28.95001 
1 1 1  -19   19   48 o   45.183   14.006  -0.6035   6.5454   3.8672   10.028  -3.9216   8.6394   51.032   21.449   39.333   18.017 11.69960 28.01171 
1 1 1  -19   19   49 o  129.686   11.019   51.344   7.3274   38.339   11.146   61.242   9.7241  112.655   18.310  146.718   12.265 -34.06365 22.03819 
1 1 1  -19   19   50 o   48.136   14.598   2.2934   6.6371   5.9551   10.736   0.0284   8.4439   53.725   22.358   42.547   18.775 11.17743 29.19545 
1 1 1  -19   19   51 o   76.054   18.557   15.208   8.0835   36.486   17.463   9.4062   9.1192   95.372   30.214   56.737   21.552 38.63549 37.11334 
1 1 1  -19   19   52 o  394.304   11.383  350.004   21.021  214.617   23.932  807.207   43.978  267.287   16.569  521.321   15.611 -254.0341 22.76527 
1 1 1  -19   19   53 o   89.132   19.326   28.179   10.076   44.054   16.990   19.568   12.514  105.469   28.938   72.795   25.623 32.67450 38.65166 
1 1 1  -19   19   54 o   96.652   14.880   32.743   7.4487   36.985   11.732   29.878   9.6412  100.622   22.175   92.683   19.849 7.938927 29.76074 
1 1 1  -19   19   55 o   50.622   15.577  -1.2455   8.6448 -13.8945   11.466   15.412   13.159   36.715   17.890   64.529   25.504 -27.81464 31.15306 
1 1 1  -19   19   56 o   46.694   15.560  -3.6953   10.101   5.9595   15.315 -11.1284   13.438   53.071   24.187   40.317   19.582 12.75420 31.11991 
1 1 1  -19   20    1 o  148.483   9.4595   59.864   7.5844   58.705   10.492   61.132   10.977  146.990   13.209  149.976   13.544 -2.985870 18.91903 
1 1 1  -19   20    2 o  257.300   7.1183  179.524   9.8642  160.874   13.794  199.042   14.112  243.583   10.480  271.017   9.6359 -27.43323 14.23655 
1 1 1  -19   20    3 o  367.608   12.292  366.892   24.417   0.0000   0.0000  366.892   24.417  ?   ?   367.608   12.292      ?      ? 
1 1 1  -19   20    4 o   45.562   14.609  -6.1708   7.7521  -4.9899   10.401  -7.6464   11.627   45.205   20.332   45.920   20.984 -0.7152786 29.21857 
1 1 1  -19   20    5 f  628.699   11.740  1077.52   39.883  1083.11   56.769  1072.07   56.044  630.287   16.668  627.112   16.539 3.175476 23.48077 
1 1 1  -19   20    6 o  114.909   15.468   37.365   9.2367   36.914   12.635   37.883   13.536  114.273   21.244  115.545   22.489 -1.272049 30.93684 
1 1 1  -19   20    7 o  459.773   9.6960  574.056   24.060  589.189   35.061  560.586   33.079  465.444   13.940  454.102   13.481 11.34186 19.39200 
1 1 1  -19   20    8 o   68.304   25.675   9.6937   12.860   0.0000   0.0000   9.6937   12.860  ?   ?    68.304   25.675      ?      ? 
1 1 1  -19   20    9 o  154.989   12.481   64.656   10.368   55.068   13.791   77.117   15.723  141.939   17.981  168.040   17.315 -26.10043 24.96253 
1 1 1  -19   20   10 o  143.294   17.108   56.081   13.247   56.081   13.247   0.0000   0.0000  143.294   17.108  ?   ?       ?      ? 
1 1 1  -19   20   11 o  219.128   9.5500  130.828   11.268  144.527   16.033  117.455   15.841  230.551   12.869  207.706   14.114 22.84467 19.10007 
1 1 1  -19   20   12 o  170.991   9.9618   77.772   9.0452   89.504   14.514   70.322   11.566  181.217   14.822  160.764   13.314 20.45366 19.92357 
1 1 1  -19   20   13 o  418.129   8.1672  472.397   17.564  483.333   29.984  466.684   21.671  421.451   13.166  414.807   9.6680 6.643036 16.33438 
1 1 1  -19   20   14 o   57.534   15.808   5.2551   7.2454   9.4328   10.075   0.7810   10.427   63.554   22.923   51.513   21.772 12.04105 31.61513 
1 1 1  -19   20   15 o  118.885   11.747   38.537   7.5328   40.552   11.064   36.795   10.284  121.757   16.817  116.013   16.405 5.742966 23.49335 
1 1 1  -19   20   16 o  173.423   8.7357   82.048   8.1638   76.721   11.705   87.094   11.392  167.872   12.904  178.974   11.779 -11.10193 17.47149 
1 1 1  -19   20   17 o  416.485   9.6337  470.737   21.681   0.0000   0.0000  470.737   21.681  ?   ?   416.485   9.6337      ?      ? 
1 1 1  -19   20   18 o  320.578   6.7756  279.070   11.722  276.590   16.976  281.329   16.206  319.176   9.8425  321.981   9.3144 -2.804504 13.55114 
1 1 1  -19   20   19 f  435.989   7.0914  516.755   16.692  505.042   23.934  527.848   23.292  431.116   10.274  440.861   9.7773 -9.744843 14.18272 
1 1 1  -19   20   20 o  252.721   11.836  176.745   15.708  169.459   25.089  181.441   20.144  247.887   18.730  257.556   14.474 -9.668442 23.67104 
1 1 1  -19   20   21 o   55.038   17.695  -7.2516   10.964 -15.3536   19.664  -3.5968   13.207   57.215   26.554   52.861   23.396 4.354008 35.39069 
1 1 1  -19   20   22 o  300.913   10.247  248.980   16.407  241.667   25.312  254.279   21.547  296.713   15.787  305.113   13.069 -8.400482 20.49455 
1 1 1  -19   20   23 o  222.095   10.534  134.225   12.642   0.0000   0.0000  134.225   12.642  ?   ?   222.095   10.534      ?      ? 
1 1 1  -19   20   24 o  130.053   11.145   47.551   7.6209   36.248   11.023   57.900   10.548  114.602   17.800  145.504   13.415 -30.90218 22.28918 
1 1 1  -19   20   25 o  210.299   7.4589  120.994   8.4379  112.572   12.234  128.635   11.653  203.189   11.142  217.408   9.9194 -14.21893 14.91788 
1 1 1  -19   20   26 o  171.978   11.804   80.815   10.969   0.0000   0.0000   80.815   10.969  ?   ?   171.978   11.804      ?      ? 
1 1 1  -19   20   27 o  108.872   12.451   33.161   7.1450   37.404   10.495   29.496   9.7546  116.229   16.710  101.515   18.462 14.71367 24.90183 
1 1 1  -19   20   28 o  338.438   6.6031  312.348   12.061  297.204   17.153  327.158   16.963  330.233   9.6124  346.642   9.0557 -16.40967 13.20625 
1 1 1  -19   20   29 f  172.728   8.2811   81.461   7.7023   84.343   11.457   79.083   10.404  175.434   12.086  170.022   11.325 5.411835 16.56227 
1 1 1  -19   20   30 o   53.808   15.124   4.7655   6.5876   3.7943   9.5389   5.6511   9.1086   52.820   21.428   54.796   21.350 -1.975986 30.24809 
1 1 1  -19   20   31 o  110.363   12.276   35.453   6.9146   27.201   10.160   42.575   9.4377   96.557   20.124  124.169   14.066 -27.61181 24.55279 
1 1 1  -19   20   32 o  282.403   6.6292  218.115   10.057  215.160   14.999  220.528   13.556  280.488   9.8962  284.317   8.8233 -3.829224 13.25843 
1 1 1  -19   20   33 o  157.433   8.7961   67.635   7.4406   75.678   11.272   61.423   9.9054  165.599   12.596  149.268   12.281 16.33151 17.59212 
1 1 1  -19   20   34 f  114.785   11.040   35.974   6.7676   43.769   10.526   30.480   8.8364  125.153   15.564  104.418   15.661 20.73515 22.07911 
1 1 1  -19   20   35 o  125.968   10.747   45.743   7.0637   34.824   10.454   54.916   9.5821  111.032   17.424  140.905   12.585 -29.87248 21.49336 
1 1 1  -19   20   36 o  248.941   6.8577  170.522   9.1966  161.017   13.278  179.287   12.750  242.073   10.151  255.810   9.2239 -13.73735 13.71548 
1 1 1  -19   20   37 o  127.779   10.245   46.177   7.0037   42.085   10.340   49.646   9.5201  122.105   15.671  133.452   13.202 -11.34779 20.49067 
1 1 1  -19   20   38 o  134.514   9.7566   49.777   7.0301   58.744   10.790   43.161   9.2674  144.865   13.783  124.163   13.813 20.70167 19.51329 
1 1 1  -19   20   39 o   69.001   15.527   14.206   6.4650   13.915   10.070   14.410   8.4321   68.769   23.026   69.234   20.835 -0.4652863 31.05324 
1 1 1  -19   20   40 o   66.263   14.763   13.219   6.3599   5.6768   10.018   18.310   8.2314   54.897   22.068   77.628   19.615 -22.73102 29.52518 
1 1 1  -19   20   41 o   56.660   14.830   6.0373   6.4260   14.654   9.8372  -0.3762   8.4870   69.688   22.734   43.632   19.050 26.05644 29.66069 
1 1 1  -19   20   42 o  137.546   9.5370   52.104   6.9885   62.004   11.073   45.550   9.0095  147.967   13.849  127.124   13.115 20.84230 19.07391 
1 1 1  -19   20   43 o  141.595   9.6293   56.529   7.3280   60.227   11.068   53.642   9.7784  145.458   14.081  137.731   13.139 7.727615 19.25867 
1 1 1  -19   20   44 o   76.692   15.213   17.977   6.6856   25.013   10.166   12.615   8.8751   88.923   21.412   64.461   21.616 24.46251 30.42570 
1 1 1  -19   20   45 o   56.790   15.288   6.6116   6.8103   14.275   10.301   0.6608   9.0772   67.945   23.285   45.635   19.816 22.30948 30.57569 
1 1 1  -19   20   46 o  133.420   10.491   51.513   7.5027   50.249   11.244   52.528   10.073  131.340   15.844  135.499   13.757 -4.158737 20.98267 
1 1 1  -19   20   47 o  202.191   7.6575  114.437   8.2459  118.204   12.869  111.813   10.740  204.372   11.653  200.010   9.9374 4.361740 15.31499 
1 1 1  -19   20   48 o  104.381   13.033   33.014   7.1279   40.509   10.691   27.016   9.5636  116.443   16.991   92.320   19.767 24.12249 26.06593 
1 1 1  -19   20   49 o  110.542   13.555   39.973   7.5982   30.983   11.492   46.956   10.128   95.324   22.645  125.760   14.904 -30.43590 27.10921 
1 1 1  -19   20   50 o   69.170   19.005   16.136   10.522   6.8311   18.911   20.309   12.664   62.845   27.896   75.495   25.818 -12.65049 38.01006 
1 1 1  -19   20   52 f   76.738   17.906   23.209   8.6154   23.054   11.929   23.378   12.457   76.783   25.034   76.692   25.609 0.9138489E-01 35.81227 
1 1 1  -19   20   53 o   89.675   15.626   28.462   7.5911   37.076   11.514   21.838   10.096  102.703   21.439   76.648   22.739 26.05558 31.25195 
1 1 1  -19   20   54 o   71.125   18.989   21.065   10.133   27.117   14.717   15.610   13.973   78.514   27.771   63.736   25.905 14.77833 37.97805 
1 1 1  -19   21    1 o  142.107   11.366   56.300   8.5372   66.554   11.746   44.820   12.429  156.302   13.908  127.913   17.982 28.38883 22.73300 
1 1 1  -19   21    2 o  235.188   8.9006  149.631   11.270  168.896   16.580  133.086   15.365  249.216   12.312  221.159   12.857 28.05714 17.80123 
1 1 1  -19   21    3 o  175.254   9.8526   83.969   9.2910   91.892   13.053   75.833   13.228  183.742   13.147  166.766   14.679 16.97629 19.70522 
1 1 1  -19   21    4 o  357.927   8.5963  347.561   16.607  365.315   24.199  331.757   22.832  366.536   12.218  349.317   12.096 17.21869 17.19270 
1 1 1  -19   21    5 o  396.256   7.9854  427.216   16.509  424.099   27.084  429.058   20.825  394.818   12.695  397.694   9.6907 -2.876190 15.97087 
1 1 1  -19   21    6 o  248.250   8.0672  168.930   10.630  158.919   16.387  176.201   13.966  241.698   12.547  254.802   10.144 -13.10435 16.13447 
1 1 1  -19   21    8 o  310.358   7.1684  262.284   11.947  253.189   17.743  269.827   16.158  305.331   10.754  315.385   9.4814 -10.05374 14.33679 
1 1 1  -19   21    9 o  341.065   9.5355  318.475   15.162  313.739   30.332  320.053   17.506  338.648   16.575  343.481   9.4320 -4.832245 19.07101 
1 1 1  -19   21   10 o  124.251   27.171   44.707   17.734   0.0000   0.0000   44.707   17.734  ?   ?   124.251   27.171      ?      ? 
1 1 1  -19   21   11 o  252.314   9.8072  176.863   12.366  182.639   15.024  164.730   21.774  259.284   10.723  245.343   16.424 13.94199 19.61440 
1 1 1  -19   21   12 o  417.792   9.7895  473.840   22.101   0.0000   0.0000  473.840   22.101  ?   ?   417.792   9.7895      ?      ? 
1 1 1  -19   21   13 o  130.872   11.160   46.915   7.8747   43.141   11.094   50.747   11.179  125.500   16.359  136.243   15.185 -10.74274 22.32043 
1 1 1  -19   21   14 o  199.265   7.9940  108.755   8.5445   95.787   12.266  120.980   11.909  187.546   12.103  210.983   10.446 -23.43704 15.98792 
1 1 1  -19   21   15 o  248.403   7.4195  167.679   9.9396  169.156   14.546  166.384   13.613  249.384   10.794  247.423   10.182 1.961121 14.83897 
1 1 1  -19   21   16 o  181.950   8.6213   90.973   8.4014   78.777   12.053  102.499   11.717  169.863   13.131  194.036   11.175 -24.17311 17.24257 
1 1 1  -19   21   17 o  221.557   7.9298  133.224   9.4458  138.096   14.189  129.346   12.658  225.110   11.665  218.003   10.746 7.107040 15.85968 
1 1 1  -19   21   18 o  398.114   10.496  435.402   22.454  422.522   33.275  446.171   30.426  392.367   15.694  403.861   13.942 -11.49353 20.99241 
1 1 1  -19   21   19 o  236.774   12.680  162.727   15.342  118.784   23.625  194.775   20.176  206.726   21.149  266.822   13.993 -60.09592 25.35916 
1 1 1  -19   21   20 o  300.203   10.923  250.292   17.388  229.730   26.647  265.540   22.947  288.819   17.074  311.588   13.629 -22.76917 21.84660 
1 1 1  -19   21   21 o  238.054   7.3903  153.723   9.4850  162.635   14.003  146.168   12.893  244.379   10.604  231.729   10.297 12.64977 14.78054 
1 1 1  -19   21   22 o  273.754   6.8772  204.539   10.142  190.175   14.535  218.168   14.159  264.267   10.179  283.242   9.2508 -18.97513 13.75441 
1 1 1  -19   21   23 o  278.274   6.9411  211.056   10.379  209.222   15.479  212.555   13.991  277.054   10.339  279.494   9.2637 -2.439789 13.88221 
1 1 1  -19   21   24 o   44.317   14.014  -3.6327   6.8765  -3.0458   9.9122  -4.1773   9.5478   45.372   20.166   43.261   19.467 2.111618 28.02854 
1 1 1  -19   21   25 o  263.752   9.6253  189.585   13.718   0.0000   0.0000  189.585   13.718  ?   ?   263.752   9.6253      ?      ? 
1 1 1  -19   21   26 o  143.107   10.107   56.384   7.8048   57.266   11.383   55.601   10.721  144.098   14.619  142.115   13.961 1.982758 20.21496 
1 1 1  -19   21   27 o  109.890   12.991   34.968   7.3622   28.535   10.864   40.431   10.011   98.882   20.983  120.898   15.324 -22.01580 25.98283 
1 1 1  -19   21   28 o  149.860   9.4974   61.900   7.6848   60.073   10.971   63.660   10.768  147.617   13.754  152.102   13.101 -4.484375 18.99480 
1 1 1  -19   21   29 o  189.921   7.8919   98.773   8.0895  101.114   11.783   96.686   11.126  191.998   11.357  187.844   10.961 4.153976 15.78380 
1 1 1  -19   21   30 o  142.172   9.7431   56.038   7.4739   53.481   10.681   58.490   10.462  138.876   14.233  145.468   13.309 -6.592239 19.48611 
1 1 1  -19   21   31 o  245.775   6.9245  164.942   9.1568  169.652   13.675  161.113   12.329  248.823   10.171  242.728   9.3995 6.095062 13.84900 
1 1 1  -19   21   32 o  152.130   9.2618   64.114   7.6021   63.189   11.010   64.957   10.509  150.967   13.496  153.292   12.687 -2.325104 18.52363 
1 1 1  -19   21   33 o  126.334   10.806   46.244   7.0933   35.482   10.674   54.756   9.4925  111.970   17.641  140.697   12.486 -28.72681 21.61272 
1 1 1  -19   21   34 o  119.754   11.202   40.614   7.1578   38.673   10.850   42.110   9.5242  116.773   17.195  122.734   14.361 -5.960953 22.40332 
1 1 1  -19   21   35 o  171.421   8.2953   81.211   7.6624   83.767   11.334   79.059   10.399  173.777   12.070  169.066   11.383 4.711212 16.59064 
1 1 1  -19   21   36 o  106.539   12.826   32.847   7.0234   45.345   10.442   22.520   9.4913  126.779   15.242   86.298   20.633 40.48090 25.65196 
1 1 1  -19   21   37 f   90.354   14.174   24.630   6.6842   24.944   10.235   24.397   8.8262   90.312   21.316   90.396   18.687 -0.8338928E-01 28.34745 
1 1 1  -19   21   38 o  180.730   7.9093   89.692   7.6465   97.678   11.853   83.999   10.007  187.309   11.711  174.151   10.634 13.15831 15.81862 
1 1 1  -19   21   39 o  131.776   10.353   49.284   7.2435   48.775   11.290   49.641   9.4431  130.601   15.998  132.952   13.144 -2.350677 20.70534 
1 1 1  -19   21   40 o  168.287   8.4828   78.254   7.6451   86.626   11.807   72.210   10.032  175.725   12.434  160.848   11.543 14.87645 16.96552 
1 1 1  -19   21   41 o  142.766   12.244   57.265   9.4459   0.0000   0.0000   57.265   9.4459  ?   ?   142.766   12.244      ?      ? 
1 1 1  -19   21   42 o  194.331   7.8553  107.046   8.0500   98.066   12.512  113.390   10.516  186.457   12.418  202.206   9.6240 -15.74861 15.71069 
1 1 1  -19   21   43 o  112.642   13.146   40.847   7.2538   27.155   11.229   50.653   9.5029   91.783   22.754  133.501   13.173 -41.71780 26.29176 
1 1 1  -19   21   44 o   40.832   13.060  -4.9167   6.6025 -15.0611   10.385   1.9655   8.5538   35.499   17.236   46.164   19.626 -10.66486 26.11969 
1 1 1  -19   21   45 o  132.167   10.519   49.993   7.4551   57.585   11.416   44.348   9.8444  140.699   15.015  123.635   14.735 17.06309 21.03740 
1 1 1  -19   21   46 o  173.845   8.6584   86.572   7.9406   82.862   12.485   89.091   10.290  169.660   13.619  178.029   10.696 -8.369446 17.31684 
1 1 1  -19   21   47 o  156.039   12.126   69.783   10.224   0.0000   0.0000   69.783   10.224  ?   ?   156.039   12.126      ?      ? 
1 1 1  -19   21   48 o  113.738   17.291   41.909   8.8377   50.518   19.141   39.576   9.9632  112.829   30.615  114.646   16.082 -1.817070 34.58237 
1 1 1  -19   21   49 o  149.968   15.393   93.118   12.389   7.4144   18.580  161.712   16.623   63.342   27.906  236.595   13.002 -173.2532 30.78648 
1 1 1  -19   21   50 o   58.038   17.959  -1.3677   10.322   21.752   18.582 -11.6847   12.413   75.339   30.136   40.738   19.543 34.60120 35.91822 
1 1 1  -19   21   51 o   42.691   13.815  -1.0807   7.2462  -4.7031   10.755   1.9301   9.8055   40.531   19.077   44.851   19.987 -4.319557 27.63050 
1 1 1  -19   21   52 o  125.834   14.660   53.605   9.4585   54.307   12.249   52.568   14.887  130.929   17.313  120.740   23.663 10.18852 29.31993 
1 1 1  -19   21   53 o   50.684   16.252   2.5856   9.8191  -4.5586   13.682   10.173   14.100   44.726   21.191   56.643   24.647 -11.91632 32.50442 
1 1 1  -19   22    1 o  245.143   7.0455  163.411   9.3245  157.367   13.290  169.271   13.086  240.639   10.221  249.646   9.7004 -9.007401 14.09107 
1 1 1  -19   22    2 o  149.131   9.6120   60.526   7.7272   54.939   10.641   66.758   11.239  141.840   13.884  156.422   13.297 -14.58226 19.22399 
1 1 1  -19   22    4 o  198.630   8.0606  107.348   8.6457  112.929   12.333  101.956   12.123  203.729   11.203  193.531   11.593 10.19791 16.12127 
1 1 1  -19   22    5 o  159.033   9.2521   69.239   7.9008   60.172   11.142   78.411   11.205  148.426   13.892  169.641   12.224 -21.21527 18.50410 
1 1 1  -19   22    6 o  192.176   8.5195  101.128   8.7861   88.003   12.473  114.055   12.379  179.627   12.850  204.725   11.190 -25.09860 17.03893 
1 1 1  -19   22    7 o  663.945   8.9796  1201.82   32.210  1171.60   45.054  1233.42   46.066  655.398   12.721  672.491   12.677 -17.09216 17.95924 
1 1 1  -19   22    8 o  124.700   11.809   42.643   7.9501   40.433   10.993   45.067   11.512  121.310   16.769  128.091   16.632 -6.780930 23.61821 
1 1 1  -19   22    9 o  138.420   17.549   44.861   9.8587   71.847   25.251   40.008   10.709  156.151   31.020  120.690   16.420 35.46128 35.09745 
1 1 1  -19   22   10 o  242.612   19.975  163.018   26.187  163.018   26.187   0.0000   0.0000  242.612   19.975  ?   ?       ?      ? 
1 1 1  -19   22   11 o  255.619   16.587  179.640   22.911   0.0000   0.0000  179.640   22.911  ?   ?   255.619   16.587      ?      ? 
1 1 1  -19   22   12 f  132.109   15.816   53.283   9.8210   59.402   11.908   40.270   17.366  147.222   14.969  116.997   27.867 30.22493 31.63253 
1 1 1  -19   22   13 o  187.498   12.317   95.907   12.479   0.0000   0.0000   95.907   12.479  ?   ?   187.498   12.317      ?      ? 
1 1 1  -19   22   14 o  286.015   7.0998  220.647   10.916  240.073   16.497  205.519   14.559  297.077   10.277  274.952   9.7988 22.12509 14.19953 
1 1 1  -19   22   15 o  302.992   10.309  256.478   13.932  242.568   29.337  260.529   15.831  296.371   18.319  309.614   9.4623 -13.24377 20.61801 
1 1 1  -19   22   16 o  123.910   21.348   41.422   14.108   66.959   23.665   27.342   17.572  150.513   30.148   97.306   30.233 53.20726 42.69578 
1 1 1  -19   22   17 o  112.263   19.592   40.617   13.193   11.874   22.050   56.644   16.466   82.079   32.829  142.447   21.391 -60.36821 39.18348 
1 1 1  -19   22   18 o  126.351   15.057   47.193   9.2872   51.050   11.486   39.910   15.783  136.184   15.609  116.518   25.752 19.66602 30.11332 
1 1 1  -19   22   19 o  163.217   9.3803   72.569   8.2030   86.886   12.086   60.341   11.169  178.174   12.554  148.261   13.942 29.91251 18.76051 
1 1 1  -19   22   20 o  229.233   7.5887  142.947   9.3722  149.165   13.905  137.770   12.687  233.727   11.010  224.740   10.447 8.987305 15.17748 
1 1 1  -19   22   21 o  247.670   7.2283  168.088   9.6199  158.273   14.107  176.620   13.152  240.732   10.844  254.607   9.5598 -13.87462 14.45658 
1 1 1  -19   22   22 o  133.339   10.783   49.029   7.7395   49.908   11.500   48.300   10.464  134.316   15.845  132.362   14.630 1.954025 21.56569 
1 1 1  -19   22   23 o  128.178   10.983   45.221   7.5882   49.340   11.182   41.706   10.331  133.568   15.493  122.787   15.571 10.78140 21.96527 
1 1 1  -19   22   24 o  294.662   6.8723  237.581   10.892  228.083   16.002  245.780   14.867  289.001   10.247  300.324   9.1609 -11.32306 13.74463 
1 1 1  -19   22   25 o   52.793   15.273   3.1617   7.0074   0.3159   10.041   5.8641   9.7843   49.282   21.115   56.304   22.075 -7.021385 30.54689 
1 1 1  -19   22   26 o  269.719   9.3344  198.561   13.605   0.0000   0.0000  198.561   13.605  ?   ?   269.719   9.3344      ?      ? 
1 1 1  -19   22   27 o   58.446   14.673   4.0261   7.0502   17.610   10.166  -8.5604   9.7858   77.311   22.787   39.581   18.491 37.73011 29.34514 
1 1 1  -19   22   28 o  135.985   10.534   52.348   7.5932   42.869   11.067   60.779   10.437  123.682   16.560  148.287   13.025 -24.60505 21.06857 
1 1 1  -19   22   29 o   78.885   15.449   18.281   7.1151   11.275   9.9916   25.489   10.134   65.060   22.896   92.710   20.748 -27.65020 30.89816 
1 1 1  -19   22   30 o   71.722   15.639   14.956   6.8874   9.9274   9.9869   19.517   9.5109   62.610   22.786   80.833   21.428 -18.22333 31.27824 
1 1 1  -19   22   31 o   73.037   15.879   15.840   7.0360   11.525   10.470   19.394   9.5017   65.683   23.403   80.391   21.468 -14.70827 31.75791 
1 1 1  -19   22   32 o   57.144   14.605   4.0195   6.7311   16.886   10.133  -6.1401   9.0046   75.022   22.900   39.267   18.134 35.75530 29.21067 
1 1 1  -19   22   33 o   54.142   14.779   4.5497   6.7321  -3.6756   9.8396   11.789   9.2308   43.662   19.694   64.622   22.043 -20.95946 29.55895 
1 1 1  -19   22   34 o   81.993   15.391   20.638   7.0772   15.459   10.153   25.531   9.8701   71.957   23.064   92.029   20.385 -20.07225 30.78138 
1 1 1  -19   22   35 o  244.116   7.0289  163.660   9.2425  173.140   13.751  155.848   12.482  250.423   10.162  237.809   9.7137 12.61467 14.05778 
1 1 1  -19   22   36 o  115.719   11.376   38.024   7.0648   40.291   10.743   36.297   9.3776  118.460   16.783  112.978   15.361 5.482010 22.75157 
1 1 1  -19   22   37 o  193.310   7.9781  103.488   8.2663  107.168   12.600  100.708   10.953  196.008   11.897  190.611   10.634 5.396683 15.95629 
1 1 1  -19   22   38 o  241.869   7.2423  162.200   9.4069  161.910   14.093  162.434   12.634  241.326   10.807  242.412   9.6446 -1.085861 14.48465 
1 1 1  -19   22   39 o   65.681   13.477   8.1734   6.5995   26.974   9.9976  -6.3450   8.7856   93.449   20.373   37.913   17.647 55.53672 26.95329 
1 1 1  -19   22   40 o  117.775   11.677   40.818   7.2625   37.756   11.236   43.015   9.5177  112.908   18.417  122.642   14.362 -9.734001 23.35447 
1 1 1  -19   22   41 o  185.107   8.5681   98.653   8.3275   85.742   12.839  108.030   10.941  173.343   13.707  196.872   10.285 -23.52945 17.13630 
1 1 1  -19   22   42 o  149.005   9.8450   64.354   7.7310   58.469   11.975   68.560   10.123  142.037   15.602  155.973   12.011 -13.93582 19.69005 
1 1 1  -19   22   43 o   43.506   13.856  -2.3684   6.9069  -6.1142   10.660   0.3418   9.0676   42.079   19.537   44.933   19.653 -2.853889 27.71164 
1 1 1  -19   22   44 o   83.734   14.857   20.514   7.2768   38.171   11.562   8.9332   9.3637  110.158   20.167   57.309   21.823 52.84879 29.71456 
1 1 1  -19   22   45 o   47.835   14.603   0.3696   6.9240   7.5235   10.920  -4.4408   8.9542   56.409   22.911   39.261   18.114 17.14794 29.20697 
1 1 1  -19   22   46 f   91.088   15.544   28.178   7.4947   27.448   11.684   28.689   9.7695   88.308   23.901   93.867   19.879 -5.559364 31.08789 
1 1 1  -19   22   47 o   92.092   20.685   31.299   10.862   37.297   20.379   28.919   12.837   94.040   32.722   90.143   25.313 3.896286 41.37041 
1 1 1  -19   22   48 o   62.393   18.726   9.4627   10.729   4.9414   19.236   11.505   12.927   61.886   27.757   62.900   25.144 -1.013802 37.45204 
1 1 1  -19   22   49 o   57.418   16.989   8.2104   8.9638   1.6497   11.814   17.113   13.761   48.233   21.683   66.603   26.158 -18.36970 33.97704 
1 1 1  -19   22   50 o   62.493   17.817   14.235   9.1185   13.748   11.603   15.020   14.745   61.578   24.067   63.408   26.279 -1.830849 35.63464 
1 1 1  -19   22   51 o  100.529   18.531   40.189   10.420   30.721   14.389   50.631   15.111   85.169   27.473  115.888   24.874 -30.71898 37.06105 
1 1 1  -19   22   52 o   42.716   14.570  -8.5488   10.073  -9.5991   14.529  -7.5766   13.978   42.542   20.591   42.890   20.619 -0.3472824 29.13997 
1 1 1  -19   23    2 o  183.621   8.3225   91.963   8.2518   90.711   11.849   93.142   11.498  182.371   12.024  184.871   11.510 -2.499573 16.64504 
1 1 1  -19   23    3 o  127.516   11.125   44.617   7.6625   42.962   10.698   46.360   10.981  125.077   15.828  129.955   15.637 -4.877602 22.24927 
1 1 1  -19   23    4 o  267.488   7.1708  194.594   10.364  198.782   14.742  190.503   14.572  270.341   10.092  264.635   10.190 5.706299 14.34155 
1 1 1  -19   23    5 o  141.228   10.322   55.160   7.7786   45.664   11.073   64.410   10.929  128.933   15.894  153.524   13.174 -24.59045 20.64404 
1 1 1  -19   23    6 o  204.548   8.1088  113.995   8.9585  118.997   12.789  109.176   12.553  208.974   11.326  200.122   11.608 8.852188 16.21760 
1 1 1  -19   23    7 o  193.347   8.1183  101.754   8.4756  105.982   12.272   97.898   11.720  197.176   11.518  189.517   11.444 7.658691 16.23669 
1 1 1  -19   23    9 o  243.281   7.4171  161.026   9.7413  163.784   14.135  158.532   13.444  245.232   10.667  241.331   10.309 3.900528 14.83416 
1 1 1  -19   23   10 o  130.741   18.548   52.725   9.9888   43.536   23.216   54.813   11.065  120.118   34.150  141.365   14.486 -21.24665 37.09560 
1 1 1  -19   23   11 o  193.631   13.967  112.118   11.137   91.779   24.920  117.194   12.449  179.947   25.628  207.315   11.113 -27.36754 27.93369 
1 1 1  -19   23   12 o   66.595   18.971   7.0571   9.4033   7.2247   10.840   6.5473   18.903   60.659   23.385   72.531   29.879 -11.87260 37.94214 
1 1 1  -19   23   13 o  230.893   13.579  148.619   16.692  146.577   25.797  150.090   21.893  228.926   20.853  232.859   17.399 -3.932938 27.15853 
1 1 1  -19   23   14 o  301.998   11.680  256.949   18.631  222.117   28.242  283.784   24.789  282.665   18.490  321.332   14.277 -38.66641 23.36034 
1 1 1  -19   23   15 o  276.743   11.808  214.627   17.332  195.743   26.455  228.829   22.942  265.208   18.460  288.279   14.728 -23.07132 23.61533 
1 1 1  -19   23   16 o   80.454   19.443   15.465   9.3262   11.961   10.942   24.775   17.834   68.130   23.962   92.778   30.627 -24.64709 38.88663 
1 1 1  -19   23   17 o  113.524   13.056   36.085   7.7227   45.177   11.496   28.608   10.425  127.653   16.666   99.395   20.101 28.25751 26.11166 
1 1 1  -19   23   18 o  110.302   13.579   36.674   7.5305   23.291   11.190   47.752   10.181   88.952   23.081  131.652   14.311 -42.70072 27.15795 
1 1 1  -19   23   19 o  171.755   8.9339   81.149   8.2425   79.082   12.252   82.858   11.141  169.594   13.369  173.917   11.854 -4.323654 17.86786 
1 1 1  -19   23   20 o  258.335   7.2274  183.394   10.012  170.393   14.768  194.451   13.619  249.608   10.949  267.062   9.4375 -17.45439 14.45484 
1 1 1  -19   23   21 o  199.186   8.2212  109.131   8.8059  103.803   12.905  113.774   12.046  194.456   12.282  203.916   10.932 -9.459671 16.44238 
1 1 1  -19   23   22 o  125.859   11.368   43.899   7.7175   47.575   11.275   40.659   10.586  130.829   15.949  120.890   16.205 9.938347 22.73700 
1 1 1  -19   23   23 o  291.002   9.5122  231.338   14.958   0.0000   0.0000  231.338   14.958  ?   ?   291.002   9.5122      ?      ? 
1 1 1  -19   23   24 o   98.655   14.206   28.750   7.4036   22.266   10.778   34.543   10.188   86.322   22.775  110.989   16.987 -24.66669 28.41241 
1 1 1  -19   23   25 o   59.040   15.262   6.7064   7.1095  -2.9478   10.500   14.880   9.6611   46.435   20.689   71.645   22.443 -25.20953 30.52430 
1 1 1  -19   23   26 o   93.519   15.138   26.020   7.4745   26.562   10.911   25.541   10.260   94.312   21.840   92.726   20.968 1.585854 30.27627 
1 1 1  -19   23   27 o  149.727   9.8223   61.807   7.9157   69.037   11.804   55.899   10.671  157.632   13.858  141.823   13.924 15.80841 19.64453 
1 1 1  -19   23   28 o   60.684   15.494   7.4419   7.3236  -2.4877   10.644   16.369   10.092   47.023   20.898   74.344   22.881 -27.32042 30.98852 
1 1 1  -19   23   29 o  146.518   9.7074   60.173   7.6413   54.084   10.959   65.933   10.660  138.970   14.594  154.067   12.804 -15.09627 19.41482 
1 1 1  -19   23   30 o   84.543   15.562   21.793   7.2010   19.650   10.216   23.910   10.152   80.292   22.593   88.794   21.408 -8.501617 31.12497 
1 1 1  -19   23   31 o   77.202   16.018   18.250   7.1158   16.436   10.960   19.572   9.3557   74.105   23.985   80.298   21.236 -6.192879 32.03516 
1 1 1  -19   23   32 o  143.866   10.183   58.548   7.8549   55.396   11.652   61.174   10.635  139.878   15.416  147.854   13.311 -7.976349 20.36698 
1 1 1  -19   23   33 o   76.385   15.787   17.985   6.9275   17.419   10.050   18.497   9.5619   75.264   22.769   77.506   21.876 -2.241966 31.57479 
1 1 1  -19   23   34 o   90.703   15.110   25.511   7.3430   20.677   10.503   30.133   10.270   81.438   22.906   99.969   19.713 -18.53069 30.22038 
1 1 1  -19   23   35 o   86.186   15.631   23.177   7.3420   20.710   10.412   25.617   10.355   81.337   22.781   91.035   21.409 -9.697395 31.26248 
1 1 1  -19   23   36 o   51.729   15.069   2.7556   6.9330   8.9828   10.591  -1.9137   9.1710   60.152   23.136   43.306   19.312 16.84530 30.13710 
1 1 1  -19   23   37 o  103.217   13.995   31.575   7.6017   39.475   11.631   25.685   10.044  115.618   18.617   90.815   20.900 24.80356 27.98947 
1 1 1  -19   23   38 o  205.165   8.1235  118.998   8.9141  108.612   13.184  127.746   12.099  196.208   12.435  214.122   10.457 -17.91348 16.24703 
1 1 1  -19   23   39 o  165.703   9.4060   80.828   8.0881   61.812   12.151   95.958   10.838  146.170   15.384  185.237   10.828 -39.06729 18.81205 
1 1 1  -19   23   40 f   87.508   15.701   24.628   7.3971   23.734   11.329   25.292   9.7659   85.231   23.726   89.784   20.570 -4.552841 31.40177 
1 1 1  -19   23   41 o  148.893   10.057   63.427   7.9487   66.405   12.565   61.441   10.263  150.983   15.401  146.804   12.938 4.178757 20.11417 
1 1 1  -19   23   42 o   96.917   14.833   29.864   7.5266   33.156   11.172   27.128   10.185  101.901   20.988   91.933   20.966 9.968117 29.66610 
1 1 1  -19   23   43 o  162.076   9.5785   76.155   8.2827   73.645   12.604   78.063   10.989  158.799   14.688  165.354   12.298 -6.554581 19.15701 
1 1 1  -19   23   44 o  221.929   7.8726  141.318   9.3352  133.130   14.016  147.845   12.515  215.108   12.058  228.750   10.125 -13.64236 15.74523 
1 1 1  -19   23   45 o   55.440   17.235   4.5629   8.5643   3.1419   19.029   4.9238   9.5905   60.179   27.243   50.700   21.118 9.479378 34.46933 
1 1 1  -19   23   46 o  134.965   17.423   74.479   11.786   28.221   19.402  101.532   14.837   84.162   31.555  185.769   14.781 -101.6072 34.84543 
1 1 1  -19   23   47 o   54.238   17.212   2.4911   10.749  -7.4077   17.833   8.1396   13.471   50.792   24.102   57.683   24.578 -6.891125 34.42423 
1 1 1  -19   23   48 o   43.141   14.198  -7.3288   9.0546   5.6859   11.263 -31.1036   15.224   50.567   22.016   35.715   17.934 14.85180 28.39582 
1 1 1  -19   23   49 o  118.033   17.231   51.016   10.831   62.590   15.645   40.360   15.011  135.377   21.386  100.689   27.024 34.68806 34.46269 
1 1 1  -19   23   50 o   83.789   20.016   32.841   10.808   36.171   15.464   29.662   15.111   88.266   28.482   79.312   28.131 8.954689 40.03207 
1 1 1  -19   24    1 o  216.027   7.5931  127.285   8.8588  121.486   12.365  133.400   12.698  210.953   10.848  221.100   10.628 -10.14740 15.18618 
1 1 1  -19   24    2 f  294.735   9.6350  236.628   15.345   0.0000   0.0000  236.628   15.345  ?   ?   294.735   9.6350      ?      ? 
1 1 1  -19   24    3 o  173.676   8.9860   82.639   8.4321   81.547   11.805   83.777   12.048  172.512   12.664  174.839   12.752 -2.326553 17.97198 
1 1 1  -19   24    5 o  282.649   7.1818  217.628   10.960  205.355   15.265  230.683   15.745  274.397   10.295  290.900   10.016 -16.50269 14.36354 
1 1 1  -19   24    7 o  159.200   9.6007   69.627   8.2590   70.259   11.688   68.996   11.672  159.933   13.524  158.468   13.631 1.465179 19.20150 
1 1 1  -19   24    8 o  180.724   12.350   89.485   12.061   89.485   12.061   0.0000   0.0000  180.724   12.350  ?   ?       ?      ? 
1 1 1  -19   24    9 o  164.994   9.3136   74.738   8.2870   68.621   11.597   81.118   11.846  158.014   13.583  171.974   12.747 -13.96049 18.62718 
1 1 1  -19   24   10 o  122.243   19.668   47.067   10.734   37.477   24.267   49.400   11.968  110.992   35.665  133.494   16.591 -22.50208 39.33546 
1 1 1  -19   24   11 o  397.271   11.202  438.164   23.952  413.063   34.779  460.811   33.035  385.906   16.678  408.636   14.961 -22.72946 22.40488 
1 1 1  -19   24   12 o  184.178   16.282   98.336   15.360   89.302   25.447  103.513   19.265  175.793   26.788  192.563   18.514 -16.77022 32.56345 
1 1 1  -19   24   13 o  162.523   12.374   70.882   10.301   65.674   12.507   81.869   18.166  154.205   15.009  170.842   19.678 -16.63686 24.74885 
1 1 1  -19   24   14 o  141.806   16.154   63.162   10.040   68.656   11.713   47.950   19.492  157.917   13.726  125.695   29.248 32.22256 32.30859 
1 1 1  -19   24   15 o  241.163   7.5927  158.663   9.8706  163.675   14.560  154.399   13.427  244.606   11.015  237.720   10.453 6.886383 15.18549 
1 1 1  -19   24   16 o  221.527   10.352  134.100   12.393   0.0000   0.0000  134.100   12.393  ?   ?   221.527   10.352      ?      ? 
1 1 1  -19   24   17 o  135.465   10.561   50.503   7.6996   57.288   11.349   44.716   10.480  143.920   14.593  127.011   15.270 16.90884 21.12215 
1 1 1  -19   24   18 o  107.244   12.271   32.177   7.1109   32.020   10.092   32.332   10.021  106.961   17.461  107.526   17.247 -0.5651779 24.54246 
1 1 1  -19   24   19 o   52.026   14.123   0.3378   6.6980   12.963   9.5423 -11.9239   9.4040   68.035   22.400   36.016   17.206 32.01857 28.24586 
1 1 1  -19   24   20 o  137.689   9.9771   52.828   7.3390   43.546   10.302   62.392   10.457  125.051   15.246  150.328   12.874 -25.27704 19.95412 
1 1 1  -19   24   21 o   88.636   14.635   23.502   7.3456   12.728   10.619   33.389   10.172   68.302   23.629  108.971   17.275 -40.66881 29.26994 
1 1 1  -19   24   22 o  262.509   7.1659  187.870   10.116  198.654   15.220  179.337   13.539  269.097   10.467  255.922   9.7900 13.17543 14.33185 
1 1 1  -19   24   23 o  225.278   7.4311  139.524   9.0106  136.733   13.266  141.915   12.277  223.010   11.009  227.546   9.9848 -4.535629 14.86226 
1 1 1  -19   24   24 o   60.414   15.612   7.2966   7.1256   15.466   10.440   0.1723   9.7496   72.856   23.391   47.972   20.684 24.88327 31.22422 
1 1 1  -19   24   25 o   80.598   16.000   19.705   7.2942   17.190   10.759   21.845   9.9230   75.996   23.664   85.199   21.541 -9.203163 31.99983 
1 1 1  -19   24   26 o   84.160   16.106   21.400   7.4706   23.591   11.232   19.662   10.004   87.785   23.294   80.534   22.250 7.250786 32.21280 
1 1 1  -19   24   27 o  191.865   8.2444  100.241   8.4688  115.211   13.105   89.506   11.098  203.863   11.896  179.867   11.418 23.99605 16.48887 
1 1 1  -19   24   28 o  188.726   8.2657   98.177   8.3757  103.334   12.700   94.207   11.142  192.882   12.185  184.569   11.172 8.313110 16.53146 
1 1 1  -19   24   29 o  100.437   13.906   31.915   7.2814   17.223   10.736   44.427   9.9083   75.285   23.672  125.589   14.600 -50.30433 27.81205 
1 1 1  -19   24   30 o  109.919   12.193   34.455   7.2073   37.663   10.867   31.935   9.6302  114.315   17.592  105.523   16.889 8.792297 24.38651 
1 1 1  -19   24   31 o   75.234   16.162   17.440   7.1416   17.438   10.459   17.441   9.7753   75.216   23.317   75.251   22.386 -0.3504944E-01 32.32339 
1 1 1  -19   24   32 o   91.250   14.467   25.649   7.2530   16.342   10.374   34.551   10.145   73.031   23.303  109.469   17.150 -36.43750 28.93360 
1 1 1  -19   24   33 o   84.478   15.623   22.300   7.2057   23.212   10.479   21.482   9.9248   86.013   22.344   82.944   21.842 3.069420 31.24608 
1 1 1  -19   24   34 o   54.343   15.667   5.2982   7.3010   2.8272   10.967   7.2651   9.7844   52.302   22.228   56.385   22.083 -4.083256 31.33339 
1 1 1  -19   24   35 o  108.191   13.709   35.880   7.6880   30.984   11.498   39.839   10.339   99.167   22.029  117.215   16.323 -18.04844 27.41794 
1 1 1  -19   24   36 o   93.583   15.262   28.280   7.5321   24.050   11.639   31.327   9.8797   85.731   24.113  101.434   18.714 -15.70313 30.52339 
1 1 1  -19   24   37 o  195.280   8.4690  107.998   8.8312  103.363   13.372  111.584   11.761  190.854   12.966  199.707   10.898 -8.852722 16.93801 
1 1 1  -19   24   38 o  112.268   13.905   42.714   7.8163   17.141   11.436   65.135   10.708   73.129   24.537  151.407   13.088 -78.27769 27.80934 
1 1 1  -19   24   39 f  172.786   9.1622   85.781   8.4098   81.524   12.922   88.909   11.077  168.095   14.226  177.476   11.550 -9.381699 18.32444 
1 1 1  -19   24   40 o  183.453   8.9132   97.441   8.6684   85.523   13.017  106.937   11.620  172.087   13.998  194.818   11.038 -22.73088 17.82643 
1 1 1  -19   24   41 o   77.286   16.572   19.325   7.6494   27.077   11.728   13.585   10.091   89.263   23.857   65.309   23.007 23.95421 33.14346 
1 1 1  -19   24   42 o  145.792   11.893   67.066   8.4487   42.157   12.066   91.026   11.834  113.955   20.341  177.628   12.329 -63.67243 23.78570 
1 1 1  -19   24   43 o  109.124   14.575   37.061   8.2960   52.865   12.935   26.018   10.813  130.854   18.293   87.393   22.695 43.46092 29.14945 
1 1 1  -19   24   44 o  104.948   16.652   44.985   11.965   1.8047   20.190   68.356   14.854   60.808   27.735  149.089   18.438 -88.28090 33.30448 
1 1 1  -19   24   45 o   53.142   17.205   0.4117   10.402  -0.8538   19.077   0.9471   12.409   56.460   26.187   49.824   22.324 6.636333 34.41047 
1 1 1  -19   24   46 o   54.799   17.405   2.6425   10.067  -5.7345   12.182   20.682   17.877   42.106   19.963   67.492   28.516 -25.38543 34.80981 
1 1 1  -19   24   47 o   69.383   19.737   19.457   11.431   21.932   15.560   16.554   16.849   72.480   27.997   66.286   27.828 6.193916 39.47423 
1 1 1  -19   24   48 f   70.817   19.945   23.140   11.540   26.081   16.139   20.063   16.509   74.351   28.569   67.284   27.839 7.066689 39.88976 
1 1 1  -19   25    1 o  141.809   10.196   55.630   7.7742   49.075   10.939   62.320   11.051  133.183   15.199  150.436   13.595 -17.25316 20.39208 
1 1 1  -19   25    2 o  163.095   9.1015   73.228   7.9860   81.705   11.368   64.968   11.222  172.572   12.190  153.617   13.519 18.95554 18.20307 
1 1 1  -19   25    4 o  155.663   9.2495   66.657   7.7445   58.605   10.805   75.163   11.106  145.858   13.709  165.468   12.421 -19.61003 18.49906 
1 1 1  -19   25    5 o  188.013   8.3529   96.980   8.4790  100.424   11.910   93.440   12.074  191.469   11.511  184.557   12.107 6.912521 16.70581 
1 1 1  -19   25    6 o  242.129   10.282  160.167   13.453   0.0000   0.0000  160.167   13.453  ?   ?   242.129   10.282      ?      ? 
1 1 1  -19   25    7 f  107.083   20.640   35.977   10.557   25.248   26.876   37.934   11.479   97.727   37.030  116.439   18.244 -18.71195 41.27998 
1 1 1  -19   25    8 o  237.896   15.129  163.869   18.673  146.329   29.931  175.045   23.892  225.457   24.568  250.334   17.662 -24.87657 30.25792 
1 1 1  -19   25    9 o  246.812   14.520  173.164   18.910  167.680   29.832  176.847   24.449  242.253   22.789  251.371   17.999 -9.118286 29.03992 
1 1 1  -19   25   10 o  141.299   21.825   56.474   15.496   80.653   27.425   45.135   18.781  161.195   32.605  121.403   29.022 39.79164 43.65053 
1 1 1  -19   25   11 o  226.336   7.9661  140.487   9.7378  139.857   13.979  141.081   13.573  225.786   11.457  226.886   11.071 -1.100266 15.93215 
1 1 1  -19   25   12 o  155.480   19.156   79.360   10.920   61.351   27.214   82.816   11.922  137.585   36.138  173.375   12.725 -35.79007 38.31297 
1 1 1  -19   25   13 o   89.537   15.337   29.385   10.177 -34.7072   23.368   44.385   11.305   53.081   25.791  125.993   16.605 -72.91280 30.67385 
1 1 1  -19   25   14 o   53.143   16.659  -2.0921   8.6326  -2.8185   10.219  -0.2822   16.131   45.957   20.448   60.328   26.304 -14.37138 33.31710 
1 1 1  -19   25   15 o   46.784   15.338  -6.6962   8.1041  -5.4680   9.3745 -10.3288   16.122   41.167   18.824   52.400   24.222 -11.23254 30.67662 
1 1 1  -19   25   16 o   62.389   15.548   7.5769   7.3951  -2.5979   10.348   18.196   10.572   46.432   20.622   78.346   23.274 -31.91403 31.09580 
1 1 1  -19   25   17 o   69.977   16.476   13.480   7.4986   8.7435   10.597   18.229   10.612   61.598   23.273   78.357   23.327 -16.75911 32.95160 
1 1 1  -19   25   18 o  163.212   9.5159   73.614   8.3774   79.894   12.208   68.025   11.517  169.817   13.304  156.606   13.609 13.21106 19.03184 
1 1 1  -19   25   19 o   49.756   14.556  -3.2319   7.3925   10.233   10.583 -16.0629   10.331   63.842   23.422   35.669   17.289 28.17265 29.11157 
1 1 1  -19   25   20 o  118.419   12.429   39.803   7.9213   37.954   11.548   41.446   10.886  115.526   18.498  121.312   16.607 -5.786285 24.85896 
1 1 1  -19   25   21 o   98.418   14.846   29.007   7.6556   26.720   10.950   31.193   10.708   94.158   21.929  102.679   20.018 -8.521790 29.69196 
1 1 1  -19   25   22 f   73.124   13.417   11.375   7.1028  -6.3971   9.5988   32.882   10.560   40.606   18.742  105.642   19.205 -65.03607 26.83479 
1 1 1  -19   25   23 o   75.300   15.737   16.947   7.3369   8.6959   10.687   24.303   10.091   60.963   23.290   89.636   21.171 -28.67299 31.47407 
1 1 1  -19   25   24 o  227.225   7.5217  141.480   9.1892  151.820   13.860  133.371   12.275  234.446   10.941  220.003   10.325 14.44304 15.04341 
1 1 1  -19   25   25 o  150.268   9.6541   62.526   7.7886   73.255   11.656   53.871   10.469  161.916   13.322  138.620   13.976 23.29585 19.30823 
1 1 1  -19   25   26 o   84.074   15.419   21.658   7.0618   22.995   10.237   20.445   9.7546   86.507   21.883   81.640   21.728 4.866791 30.83794 
1 1 1  -19   25   27 o  169.314   8.9340   80.336   8.1279   78.168   12.047   82.148   11.012  166.875   13.360  171.752   11.865 -4.876511 17.86792 
1 1 1  -19   25   28 o  178.441   8.6250   89.959   8.2043   78.957   12.101   99.319   11.161  167.649   13.357  189.233   10.915 -21.58455 17.24991 
1 1 1  -19   25   29 o   98.981   14.413   29.811   7.4483   29.350   10.711   30.243   10.364   97.968   20.872   99.994   19.881 -2.026535 28.82558 
1 1 1  -19   25   30 o   75.992   16.068   18.064   7.4783   11.015   10.994   24.134   10.202   63.902   23.794   88.082   21.600 -24.18010 32.13564 
1 1 1  -19   25   31 o  189.988   8.5356  101.155   8.7393  101.511   12.842  100.848   11.927  190.049   12.505  189.928   11.621 0.1206360 17.07129 
1 1 1  -19   25   32 o   42.587   13.748  -4.2761   7.0244  -4.5041   10.257  -4.0746   9.6398   43.099   19.701   42.076   19.181 1.023273 27.49577 
1 1 1  -19   25   33 o  131.176   11.375   49.575   8.0015   58.625   11.801   41.874   10.886  142.605   15.315  119.748   16.823 22.85756 22.74966 
1 1 1  -19   25   34 o  129.802   11.186   48.981   7.7604   48.435   11.810   49.395   10.295  128.459   17.013  131.144   14.528 -2.685760 22.37193 
1 1 1  -19   25   35 o   81.895   15.853   21.727   7.2935   18.317   10.690   24.697   9.9762   75.398   23.606   88.391   21.167 -12.99297 31.70592 
1 1 1  -19   25   36 o  106.757   14.412   34.783   8.0746   46.182   12.079   25.574   10.857  124.633   17.935   88.881   22.565 35.75275 28.82441 
1 1 1  -19   25   37 o   44.014   14.002  -4.6854   7.5509 -16.3558   11.626   3.8295   9.9306   37.317   18.146   50.711   21.330 -13.39344 28.00447 
1 1 1  -19   25   38 o  112.196   13.389   38.014   7.8918   43.292   12.266   34.286   10.308  119.185   19.046  105.207   18.824 13.97808 26.77845 
1 1 1  -19   25   39 o   47.386   14.923  -0.1224   7.6768   0.5855   11.468  -0.6971   10.333   49.039   21.748   45.734   20.440 3.305695 29.84550 
1 1 1  -19   25   40 o   54.254   15.861   6.7576   7.4535   6.9856   11.852   6.6084   9.5863   55.782   23.375   52.725   21.447 3.056705 31.72282 
1 1 1  -19   25   41 o   33.518   11.777 -22.2635   7.9353 -20.6952   12.425 -23.3439   10.312   36.330   17.890   30.705   15.320 5.625187 23.55325 
1 1 1  -19   25   42 o  263.055   15.600   72.922   12.820  631.757   42.014   15.545   13.462  457.421   16.998   68.689   26.164 388.7324 31.20067 
1 1 1  -19   25   43 o   44.719   15.484 -16.1338   10.951 -16.4167   20.757 -16.0248   12.890   50.399   24.446   39.039   19.011 11.36007 30.96828 
1 1 1  -19   25   44 o   38.873   19.062 -15.8477   13.634 -15.8477   13.634   0.0000   0.0000   38.873   19.062  ?   ?       ?      ? 
1 1 1  -19   25   45 o   75.606   20.068   23.203   11.824   11.392   16.271   36.419   17.212   61.179   26.548   90.033   30.103 -28.85466 40.13692 
1 1 1  -19   25   46 o   71.959   19.198   21.359   11.039   9.0338   15.304   34.730   15.940   56.974   25.202   86.944   28.967 -29.96999 38.39561 
1 1 1  -19   26    1 f   74.288   15.658   15.911   6.8543   12.023   9.3869   20.353   10.032   65.948   22.230   82.628   22.057 -16.67967 31.31545 
1 1 1  -19   26    2 f  211.668   7.7636  122.599   8.8610  112.414   12.161  134.127   12.938  202.284   11.126  221.053   10.831 -18.76872 15.52719 
1 1 1  -19   26    3 o   71.497   16.379   14.523   7.2505   16.796   10.524   12.469   10.003   75.687   23.377   67.308   22.947 8.378532 32.75769 
1 1 1  -19   26    4 o  125.628   23.478   53.679   16.556   36.014   27.685   63.514   20.657  106.964   38.062  144.291   27.497 -37.32706 46.95504 
1 1 1  -19   26    5 o  113.760   23.913   43.149   15.948   31.261   27.648   49.077   19.523  102.043   37.785  125.478   29.321 -23.43500 47.82693 
1 1 1  -19   26    6 o   88.826   24.159   16.328   15.502   35.113   27.947   7.9797   18.631  105.993   38.186   71.658   29.606 34.33411 48.31814 
1 1 1  -19   26    7 o  162.624   20.400   81.368   16.420   77.860   28.046   83.198   20.255  155.385   34.318  169.863   22.067 -14.47818 40.80057 
1 1 1  -19   26    8 o  174.896   9.3604   84.648   8.7825   98.416   12.667   71.902   12.188  188.842   12.413  160.949   14.013 27.89349 18.72071 
1 1 1  -19   26    9 o  116.179   13.051   39.121   7.7586   51.096   11.168   27.949   10.787  135.321   15.272   97.036   21.168 38.28554 26.10205 
1 1 1  -19   26   10 o   52.486   15.355   2.3774   7.2345  -1.5864   9.9886   6.7509   10.492   46.606   20.499   58.366   22.866 -11.75988 30.70948 
1 1 1  -19   26   11 o  178.311   8.8575   87.758   8.5022   77.869   11.808   98.404   12.252  167.728   13.028  188.893   12.003 -21.16483 17.71490 
1 1 1  -19   26   12 o  127.750   11.439   45.767   7.8718   41.198   10.984   50.592   11.287  121.013   16.798  134.488   15.531 -13.47546 22.87724 
1 1 1  -19   26   13 o   78.550   20.664   16.583   9.8125   5.7275   26.867   18.254   10.541   78.890   34.174   78.211   23.241 0.6780777 41.32769 
1 1 1  -19   26   14 f  117.891   19.834   44.134   10.261   39.189   24.752   45.160   11.276  109.108   36.085  126.675   16.473 -17.56631 39.66702 
1 1 1  -19   26   15 o   50.906   15.927  -0.9511   8.1927   3.4408   9.2999 -16.1712   17.313   51.174   21.005   50.637   23.946 0.5377350 31.85302 
1 1 1  -19   26   16 o   72.232   18.838   11.176   8.4869   7.9653   9.6745   21.896   17.679   58.647   22.218   85.817   30.429 -27.17088 37.67693 
1 1 1  -19   26   17 o  107.998   13.828   34.238   7.8177   27.602   10.931   41.186   11.185   95.589   21.664  120.408   17.191 -24.81887 27.65560 
1 1 1  -19   26   18 f  114.034   13.235   38.112   7.8556   31.334   11.123   44.857   11.096  102.213   20.844  125.855   16.316 -23.64197 26.47075 
1 1 1  -19   26   19 o  131.973   11.399   48.961   8.0101   61.302   11.849   38.573   10.870  147.642   14.851  116.304   17.297 31.33813 22.79798 
1 1 1  -19   26   20 o  265.416   9.9241  193.864   14.233   0.0000   0.0000  193.864   14.233  ?   ?   265.416   9.9241      ?      ? 
1 1 1  -19   26   21 o   54.874   13.925   0.6697   6.8238 -14.7751   9.4501   17.496   9.8637   33.898   16.454   75.851   22.469 -41.95256 27.84986 
1 1 1  -19   26   22 o  204.514   10.939  115.790   12.089   0.0000   0.0000  115.790   12.089  ?   ?   204.514   10.939      ?      ? 
1 1 1  -19   26   23 o   58.466   15.316   5.4281   7.2562   16.745   10.654  -4.3626   9.9098   74.043   23.615   42.890   19.511 31.15293 30.63273 
1 1 1  -19   26   24 o   79.615   15.937   19.582   7.1846   22.060   10.403   17.322   9.9340   84.222   22.451   75.008   22.625 9.213104 31.87325 
1 1 1  -19   26   25 o   82.533   16.152   21.247   7.4455   21.773   10.713   20.755   10.355   83.445   23.013   81.620   22.669 1.825745 32.30352 
1 1 1  -19   26   26 o   79.859   15.921   19.708   7.2532   24.251   10.539   15.619   9.9980   88.214   22.142   71.505   22.884 16.70914 31.84251 
1 1 1  -19   26   27 o  111.455   12.712   35.963   7.3652   46.117   11.191   28.204   9.7827  126.521   16.368   96.390   19.453 30.13073 25.42301 
1 1 1  -19   26   28 o   75.402   16.098   17.699   7.1752   21.403   10.421   14.361   9.8936   82.169   22.713   68.635   22.819 13.53409 32.19591 
1 1 1  -19   26   29 o  109.521   13.126   35.908   7.5677   32.760   10.742   39.010   10.664  103.371   19.953  115.670   17.061 -12.29904 26.25220 
1 1 1  -19   26   30 o   49.833   15.026   1.5529   7.2901   6.1217   10.389  -2.8786   10.232   55.235   22.378   44.430   20.057 10.80458 30.05124 
1 1 1  -19   26   31 f   46.727   14.485  -0.4836   7.1370  -4.6055   10.275   3.3594   9.9210   42.810   19.624   50.644   21.312 -7.833996 28.97054 
1 1 1  -19   26   32 o  125.459   12.274   46.409   8.2869   45.298   12.166   47.370   11.318  123.527   18.227  127.390   16.442 -3.863281 24.54734 
1 1 1  -19   26   33 o  125.646   12.012   45.683   8.0623   56.393   12.181   37.334   10.755  139.002   16.217  112.290   17.725 26.71184 24.02456 
1 1 1  -19   26   34 f   60.949   16.073   7.6524   7.7982   19.469   11.731  -1.7043   10.438   76.382   24.822   45.516   20.428 30.86594 32.14688 
1 1 1  -19   26   35 o  145.807   11.193   63.527   8.6314   53.634   12.787   71.807   11.699  133.723   17.696  157.890   13.712 -24.16693 22.38681 
1 1 1  -19   26   36 o  134.057   11.672   52.456   8.3748   60.719   12.979   46.561   10.963  142.702   16.831  125.412   16.176 17.28954 23.34434 
1 1 1  -19   26   37 o   59.581   16.350   9.2092   7.8010   16.307   11.549   3.2533   10.579   69.114   24.584   50.049   21.562 19.06443 32.70055 
1 1 1  -19   26   38 o  124.353   12.512   46.852   8.3419   54.666   12.757   41.015   11.026  133.251   17.716  115.455   17.673 17.79630 25.02438 
1 1 1  -19   26   39 o   57.533   15.200   6.0902   7.9268 -11.5517   12.231   18.867   10.409   40.797   19.526   74.269   23.300 -33.47197 30.40017 
1 1 1  -19   26   40 o   76.687   21.133   18.786   12.117   33.423   21.017   11.498   14.830   89.147   32.957   64.228   26.462 24.91912 42.26559 
1 1 1  -19   26   41 o   52.924   25.539 -11.5721   21.934 -11.5721   21.934   0.0000   0.0000   52.924   25.539  ?   ?       ?      ? 
1 1 1  -19   26   43 f   72.737   20.021   22.287   11.320   22.367   15.962   22.205   16.057   72.858   28.297   72.617   28.332 0.2409973 40.04239 
1 1 1  -19   26   44 o   48.788   16.106  -1.0167   10.490   0.5923   14.503  -2.7815   15.189   49.537   22.925   48.039   22.629 1.498150 32.21264 
1 1 1  -19   27    1 o  152.819   22.631   74.253   17.991   87.590   27.486   64.257   23.796  164.967   31.988  140.670   32.024 24.29710 45.26294 
1 1 1  -19   27    2 o   99.806   24.981   31.918   16.936   27.545   25.472   35.383   22.673   95.647   36.095  103.965   34.544 -8.318245 49.96131 
1 1 1  -19   27    3 o   80.785   22.278   10.087   16.592 -21.6824   25.843   32.365   21.641   61.349   29.084  100.222   33.753 -38.87355 44.55502 
1 1 1  -19   27    4 o  121.025   30.852   47.365   20.237   0.0000   0.0000   47.365   20.237  ?   ?   121.025   30.852      ?      ? 
1 1 1  -19   27    5 o  225.390   7.7069  140.291   9.3624  146.323   12.981  133.751   13.516  230.641   10.415  220.139   11.362 10.50180 15.41377 
1 1 1  -19   27    6 o  178.538   8.7296   88.073   8.4052   80.825   11.570   96.172   12.231  170.712   12.542  186.365   12.145 -15.65282 17.45914 
1 1 1  -19   27    7 o   88.528   15.104   23.627   7.1411   22.925   9.9649   24.369   10.239   87.173   21.329   89.883   21.390 -2.709816 30.20708 
1 1 1  -19   27    8 o   59.650   15.989   7.5919   7.2684   3.1810   9.9978   12.537   10.586   52.039   21.609   67.262   23.573 -15.22295 31.97879 
1 1 1  -19   27    9 o   57.526   15.977   6.0156   7.5750   11.053   10.290   0.0551   11.193   64.386   23.173   50.665   22.002 13.72118 31.95448 
1 1 1  -19   27   10 o  293.843   10.114  237.587   16.059   0.0000   0.0000  237.587   16.059  ?   ?   293.843   10.114      ?      ? 
1 1 1  -19   27   11 o   91.143   15.435   25.070   7.7943   15.109   10.730   36.197   11.341   71.733   23.760  110.552   19.706 -38.81911 30.86903 
1 1 1  -19   27   12 o  174.483   9.3652   84.916   8.8283   82.706   12.417   87.176   12.554  172.143   13.349  176.823   13.139 -4.679901 18.73038 
1 1 1  -19   27   13 o  155.133   10.175   67.771   8.4573   78.236   12.037   57.566   11.886  167.424   13.305  142.842   15.399 24.58263 20.35017 
1 1 1  -19   27   14 f   80.846   18.569   22.090   10.327 -15.2522   26.160   28.984   11.240   64.075   30.029   97.617   21.853 -33.54243 37.13877 
1 1 1  -19   27   15 o   47.201   16.411 -17.6392   9.8263 -20.1937   23.850 -17.1169   10.784   58.475   27.785   35.927   17.471 22.54848 32.82129 
1 1 1  -19   27   16 o   47.249   15.571  -7.6392   8.9142  -6.1239   10.582 -11.3423   16.543   43.046   19.799   51.452   24.038 -8.406261 31.14220 
1 1 1  -19   27   17 o   93.061   17.162   30.163   9.6383   38.618   11.504   10.248   17.656  115.518   18.429   70.605   28.956 44.91359 34.32301 
1 1 1  -19   27   18 o   56.680   14.383   0.5008   7.5147   19.179   10.539 -18.8157   10.718   78.645   23.207   34.714   16.997 43.93166 28.76536 
1 1 1  -19   27   19 o   57.294   15.823   7.1012   7.1612   4.5532   10.220   9.5586   10.037   53.682   22.025   60.907   22.724 -7.224506 31.64597 
1 1 1  -19   27   20 o   46.946   14.608  -0.8960   7.1752  -0.1542   10.410  -1.5674   9.9033   48.264   21.085   45.628   20.224 2.636742 29.21606 
1 1 1  -19   27   21 o  133.698   11.451   51.397   8.2235   48.388   12.052   54.018   11.249  129.529   17.219  137.867   15.099 -8.338028 22.90192 
1 1 1  -19   27   22 o   42.136   13.633  -5.2335   7.0509  -1.9317   9.5259  -9.2343   10.486   44.256   19.713   40.017   18.836 4.239410 27.26510 
1 1 1  -19   27   23 o   87.824   15.561   23.997   7.5783   32.374   10.988   16.398   10.465  102.864   20.489   72.784   23.425 30.07999 31.12113 
1 1 1  -19   27   24 o  142.356   10.321   57.793   7.8986   65.233   11.314   50.720   11.031  151.691   13.803  133.020   15.347 18.67075 20.64135 
1 1 1  -19   27   25 o   57.886   15.899   8.0381   7.1488   6.6307   10.381   9.3077   9.8593   56.180   22.506   59.593   22.465 -3.413586 31.79888 
1 1 1  -19   27   26 o   66.458   16.563   13.002   7.4668   10.114   10.383   16.095   10.745   61.260   23.062   71.657   23.779 -10.39681 33.12527 
1 1 1  -19   27   27 o  155.647   9.7224   68.010   8.1033   82.001   12.284   57.230   10.782  169.816   13.386  141.479   14.104 28.33656 19.44488 
1 1 1  -19   27   28 f   65.779   16.675   12.815   7.5367   14.912   11.021   10.974   10.330   69.269   24.065   62.290   23.090 6.978603 33.35081 
1 1 1  -19   27   29 o  186.983   8.9313   98.398   8.9986  108.456   13.278   89.855   12.237  195.827   12.548  178.140   12.713 17.68704 17.86256 
1 1 1  -19   27   30 f  169.505   9.5794   82.007   8.7735   81.480   12.317   82.550   12.500  168.992   13.488  170.019   13.606 -1.027084 19.15878 
1 1 1  -19   27   31 o  111.491   13.422   37.929   7.9232   39.782   11.537   36.276   10.900  114.830   18.594  108.152   19.362 6.677925 26.84405 
1 1 1  -19   27   32 o  145.864   15.912   62.601   12.542   62.601   12.542   0.0000   0.0000  145.864   15.912  ?   ?       ?      ? 
1 1 1  -19   27   33 o  151.641   10.820   66.796   8.8241   73.655   13.287   61.384   11.802  158.369   15.527  144.912   15.072 13.45763 21.63930 
1 1 1  -19   27   34 o  161.055   10.288   76.185   8.9204   76.472   13.185   75.943   12.114  160.764   15.177  161.345   13.894 -0.5811920 20.57677 
1 1 1  -19   27   35 o   40.951   13.774  -9.5851   8.2150  -6.3839   12.481 -12.0319   10.912   44.345   20.769   37.558   18.096 6.786743 27.54700 
1 1 1  -19   27   36 o   40.985   13.761  -9.1602   8.1507  -9.1866   12.439  -9.1404   10.789   42.614   20.195   39.357   18.697 3.256840 27.52126 
1 1 1  -19   27   37 o  147.501   12.140   66.856   9.4603   56.383   13.999   75.659   12.834  134.670   19.238  160.331   14.814 -25.66173 24.28023 
1 1 1  -19   27   38 o   57.419   26.894  -3.6239   20.929  -3.6239   20.929   0.0000   0.0000   57.419   26.894  ?   ?       ?      ? 
1 1 1  -19   27   41 o   55.926   17.415   6.7356   10.331   10.126   13.121   1.2056   16.757   58.278   24.516   53.573   24.740 4.705364 34.82968 
1 1 1  -19   27   42 o   67.734   18.982   19.240   10.672   10.824   14.538   29.077   15.718   57.475   25.017   77.993   28.554 -20.51837 37.96348 
1 1 1  -19   28    1 o   65.567   15.325   11.750   7.1170   19.488   9.4076   1.3950   10.883   79.896   21.373   51.238   21.968 28.65853 30.64953 
1 1 1  -19   28    2 o  136.973   10.851   53.181   7.8391   39.419   10.783   68.605   11.416  117.434   16.993  156.513   13.498 -39.07966 21.70172 
1 1 1  -19   28    3 o  195.593   8.2044  105.830   8.6199  122.564   12.551   90.891   11.859  210.428   11.038  180.758   12.141 29.67035 16.40877 
1 1 1  -19   28    4 o  183.682   12.202   93.891   12.111   0.0000   0.0000   93.891   12.111  ?   ?   183.682   12.202      ?      ? 
1 1 1  -19   28    5 o  192.594   8.4543  102.839   8.7843   98.186   12.013  108.185   12.878  187.985   11.826  197.204   12.085 -9.219254 16.90853 
1 1 1  -19   28    6 o  120.289   11.935   41.733   7.6777   45.457   10.497   37.448   11.259  126.691   15.333  113.886   18.295 12.80467 23.87069 
1 1 1  -19   28    7 o  107.197   13.523   33.958   7.4912   23.197   10.255   46.270   10.969   86.844   21.867  127.549   15.915 -40.70515 27.04547 
1 1 1  -19   28    8 o  140.456   10.492   55.836   7.9515   57.236   11.049   54.332   11.452  142.486   14.351  138.426   15.310 4.060074 20.98392 
1 1 1  -19   28    9 o  115.099   18.045   38.291   11.223   0.0000   0.0000   38.291   11.223  ?   ?   115.099   18.045      ?      ? 
1 1 1  -19   28   10 o  138.083   11.548   55.864   8.2398   73.214   11.610   38.258   11.696  161.534   13.301  114.632   18.881 46.90247 23.09621 
1 1 1  -19   28   11 o  163.167   14.103   75.083   12.435   0.0000   0.0000   75.083   12.435  ?   ?   163.167   14.103      ?      ? 
1 1 1  -19   28   12 o   66.114   15.786   12.006   7.3319   19.366   9.9672   3.3286   10.823   79.068   22.341   53.160   22.310 25.90844 31.57257 
1 1 1  -19   28   13 o  114.622   12.645   39.145   7.4526   43.484   9.9695   33.649   11.220  123.837   14.898  105.407   20.436 18.42995 25.29034 
1 1 1  -19   28   14 o   70.869   14.042   10.915   7.5991   30.840   10.773  -8.8179   10.721  100.753   20.485   40.984   19.213 59.76843 28.08494 
1 1 1  -19   28   15 o   87.534   21.022   23.338   9.8593   24.437   25.521   23.146   10.689   88.995   35.409   86.074   22.668 2.921333 42.04353 
1 1 1  -19   28   16 o   85.975   21.948   14.996   10.135   45.068   25.987   9.6023   11.007  110.058   36.988   61.892   23.638 48.16632 43.89600 
1 1 1  -19   28   17 o   79.443   19.924   15.399   9.0701   11.306   10.163   31.419   20.106   63.643   23.012   95.243   32.532 -31.59987 39.84844 
1 1 1  -19   28   18 o  111.106   17.469   42.161   9.3315   45.658   10.816   31.982   18.454  126.089   15.875   96.123   31.124 29.96634 34.93892 
1 1 1  -19   28   19 o  128.092   11.501   47.315   7.9503   46.565   10.939   48.155   11.574  127.189   15.917  128.994   16.605 -1.804909 23.00149 
1 1 1  -19   28   20 o   74.370   15.157   15.573   7.4126   3.4499   10.153   29.413   10.848   51.553   21.620   97.187   21.249 -45.63335 30.31392 
1 1 1  -19   28   21 o   68.804   16.308   13.316   7.5810   21.947   11.199   6.0152   10.300   82.493   23.803   55.115   22.298 27.37788 32.61597 
1 1 1  -19   28   22 o  106.112   14.384   34.630   8.0371   31.877   11.758   37.044   11.011  100.278   22.278  111.946   18.203 -11.66886 28.76895 
1 1 1  -19   28   23 o  110.032   13.630   37.646   7.6542   50.443   10.818   24.817   10.832  132.250   15.138   87.815   22.671 44.43465 27.26009 
1 1 1  -19   28   24 o   66.552   16.680   13.378   7.5518   11.533   10.824   15.128   10.541   63.583   23.623   69.520   23.556 -5.937004 33.36043 
1 1 1  -19   28   25 o   53.705   15.510   4.2942   7.4142  -1.4232   10.406   10.190   10.567   46.130   20.571   61.280   23.219 -15.15044 31.02091 
1 1 1  -19   28   26 o   73.709   16.267   17.172   7.5575   10.395   10.789   23.701   10.589   61.715   23.443   85.704   22.558 -23.98837 32.53373 
1 1 1  -19   28   27 o  142.056   10.888   58.578   8.3456   63.060   12.116   54.531   11.512  147.333   15.218  136.780   15.576 10.55333 21.77627 
1 1 1  -19   28   28 o  128.856   16.405   49.043   11.423   0.0000   0.0000   49.043   11.423  ?   ?   128.856   16.405      ?      ? 
1 1 1  -19   28   29 o  101.093   14.849   32.815   7.9826   39.888   11.144   25.361   11.440  115.190   17.903   86.996   23.695 28.19421 29.69772 
1 1 1  -19   28   30 o   99.004   14.755   32.850   7.9760   17.375   11.552   46.950   11.026   72.132   24.659  125.877   16.210 -53.74413 29.50969 
1 1 1  -19   28   31 o  172.234   9.9695   87.161   9.2370   81.173   13.338   92.679   12.804  165.760   14.891  178.708   13.259 -12.94794 19.93902 
1 1 1  -19   28   32 o  109.821   14.790   38.976   8.5292   50.154   12.675   29.727   11.530  126.836   18.494   92.806   23.087 34.02957 29.58049 
1 1 1  -19   28   33 o  155.445   10.878   71.706   9.1264   74.955   13.309   68.822   12.538  158.629   15.527  152.261   15.239 6.368103 21.75599 
1 1 1  -19   28   34 o   74.196   25.075   19.161   11.944   0.0000   0.0000   19.161   11.944  ?   ?    74.196   25.075      ?      ? 
1 1 1  -19   28   35 o   54.566   16.949  -1.6605   9.7160 -11.4938   12.257   14.966   15.938   40.789   19.529   68.343   27.707 -27.55429 33.89761 
1 1 1  -19   28   39 o   52.711   16.810   2.3529   10.009  -4.4369   12.929   12.509   15.812   44.531   20.946   60.891   26.297 -16.36050 33.61962 
1 1 1  -19   28   40 o   60.036   15.071   8.5830   8.0216 -10.1029   11.290   27.633   11.399   37.483   18.145   82.589   24.069 -45.10630 30.14205 
1 1 1  -19   29    1 o   53.408   15.386   4.9065   6.9563   4.8604   9.3053   4.9649   10.473   52.339   21.188   54.478   22.317 -2.138901 30.77288 
1 1 1  -19   29    2 o  134.860   15.159   51.796   11.047   0.0000   0.0000   51.796   11.047  ?   ?   134.860   15.159      ?      ? 
1 1 1  -19   29    3 o   47.969   14.358  -0.4025   7.0342   7.3868   9.4376 -10.1387   10.551   56.426   21.802   39.513   18.688 16.91285 28.71530 
1 1 1  -19   29    4 o  133.885   11.208   51.886   7.9805   60.526   11.129   42.740   11.450  146.287   14.078  121.483   17.443 24.80433 22.41544 
1 1 1  -19   29    5 o  133.938   10.977   51.306   7.9285   54.688   11.189   47.896   11.236  138.645   14.935  129.230   16.091 9.415665 21.95359 
1 1 1  -19   29    6 o  118.182   12.456   41.150   7.6435   33.313   10.722   49.249   10.900  105.011   19.616  131.353   15.356 -26.34238 24.91179 
1 1 1  -19   29    7 o  103.897   14.046   32.873   7.6269   22.353   10.661   43.902   10.916   84.255   22.842  123.538   16.352 -39.28289 28.09176 
1 1 1  -19   29    8 o   42.858   13.796  -4.1789   7.0162  -3.3256   9.5634  -5.1736   10.325   42.834   19.359   42.882   19.662 -0.4826736E-01 27.59291 
1 1 1  -19   29    9 o  179.799   9.0083   90.606   8.7370   86.604   11.933   95.231   12.827  175.621   12.574  183.976   12.903 -8.355072 18.01658 
1 1 1  -19   29   10 o  128.182   12.078   48.335   8.2175   54.847   11.239   40.854   12.046  138.599   15.006  117.765   18.929 20.83492 24.15569 
1 1 1  -19   29   11 o   69.041   16.160   13.489   7.0732   8.9130   9.1547   20.267   11.141   58.326   21.713   79.756   23.938 -21.43051 32.31911 
1 1 1  -19   29   12 o   83.494   16.491   22.249   7.7272   22.664   10.816   21.816   11.043   84.372   23.064   82.616   23.576 1.756470 32.98149 
1 1 1  -19   29   13 o  117.616   11.863   40.112   7.5194   39.450   10.239   40.886   11.079  116.832   16.218  118.400   17.316 -1.568275 23.72521 
1 1 1  -19   29   14 o   64.939   16.037   10.882   7.6711   20.190   10.813   1.4494   10.885   79.434   23.524   50.444   21.802 28.98968 32.07325 
1 1 1  -19   29   15 o  145.845   10.856   61.345   8.5012   69.387   12.091   53.484   11.955  155.882   14.354  135.809   16.290 20.07320 21.71238 
1 1 1  -19   29   16 o  146.670   19.445   80.971   11.198   54.775   25.777   87.066   12.433  118.046   36.608  175.294   13.126 -57.24850 38.88977 
1 1 1  -19   29   17 o  104.757   19.762   39.132   10.468   31.351   24.132   40.935   11.618   92.012   35.035  117.502   18.297 -25.48966 39.52478 
1 1 1  -19   29   18 o   62.511   18.760   5.4436   9.6346   2.6273   11.089   14.115   19.458   51.807   22.193   73.215   30.253 -21.40868 37.52010 
1 1 1  -19   29   19 o   81.585   18.045   23.450   9.5389   29.420   11.475   10.104   17.159   95.750   22.551   67.419   28.178 28.33104 36.09100 
1 1 1  -19   29   20 o   70.348   14.950   13.092   7.6562  -2.5421   10.889   28.375   10.767   46.028   20.743   94.668   21.533 -48.63927 29.89904 
1 1 1  -19   29   21 o  106.880   14.597   35.341   8.2459   38.522   11.564   32.050   11.761  113.525   18.851  100.235   22.291 13.29056 29.19315 
1 1 1  -19   29   22 o   71.202   16.853   16.177   7.6292   16.516   10.517   15.801   11.084   71.819   23.510   70.584   24.154 1.235306 33.70686 
1 1 1  -19   29   23 o   50.232   15.337   1.5264   7.6722   5.6268   11.234  -2.0575   10.503   55.125   22.899   45.339   20.408 9.786102 30.67350 
1 1 1  -19   29   24 o  114.610   13.527   40.368   8.1932   40.773   11.359   39.928   11.829  116.418   18.056  112.801   20.146 3.616631 27.05359 
1 1 1  -19   29   25 o   85.303   16.579   24.271   7.8981   22.073   11.041   26.574   11.303   81.170   23.696   89.437   23.193 -8.266411 33.15775 
1 1 1  -19   29   26 o   60.447   15.202   7.5280   7.5001  -5.6122   10.576   20.823   10.638   42.041   19.498   78.852   23.329 -36.81100 30.40446 
1 1 1  -19   29   27 o  101.582   14.758   33.979   8.2765   15.774   11.406   54.221   12.028   68.746   24.434  134.418   16.559 -65.67198 29.51683 
1 1 1  -19   29   28 o  100.608   15.196   33.638   8.2474   44.825   11.907   23.323   11.434  120.122   18.344   81.093   24.231 39.02887 30.39178 
1 1 1  -19   29   29 o   82.046   16.898   23.797   8.2432   30.297   11.545   17.037   11.774   94.056   22.924   70.036   24.832 24.01962 33.79566 
1 1 1  -19   29   30 o   39.486   13.262 -13.4322   7.9293 -24.9405   10.964  -0.8134   11.481   31.521   15.738   47.452   21.350 -15.93052 26.52376 
1 1 1  -19   29   31 o  124.615   15.912   46.286   10.014   36.161   12.072   68.626   17.932  104.585   22.055  144.644   22.942 -40.05878 31.82431 
1 1 1  -19   29   32 o   48.843   16.047  -5.6064   10.103 -10.3919   13.400   0.6973   15.380   43.488   20.710   54.199   24.518 -10.71047 32.09388 
1 1 1  -19   29   33 o   67.827   19.185   16.581   11.493   27.072   15.738   4.5923   16.823   79.403   28.648   56.252   25.525 23.15083 38.37016 
1 1 1  -19   29   36 o  100.433   18.791   44.450   12.147   62.387   16.137   21.000   18.451  131.061   23.657   69.804   29.201 61.25710 37.58121 
1 1 1  -19   29   37 o   62.680   15.588   11.578   8.2258  -5.1812   11.589   28.594   11.678   41.198   19.515   84.162   24.313 -42.96374 31.17640 
1 1 1  -19   30    1 o   95.475   15.249   28.733   7.6779   28.038   10.658   29.482   11.070   94.348   21.398   96.602   21.733 -2.253700 30.49879 
1 1 1  -19   30    2 o  170.120   9.3009   81.973   8.5434   86.513   12.311   77.755   11.865  174.728   13.039  165.512   13.267 9.215302 18.60180 
1 1 1  -19   30    3 o   91.430   15.003   25.936   7.2937   20.822   9.8073   32.266   10.910   80.899   21.899  101.961   20.513 -21.06242 30.00570 
1 1 1  -19   30    4 o   93.797   14.506   28.135   7.3346   35.534   9.9234   19.226   10.889  110.367   16.639   77.228   23.767 33.13856 29.01298 
1 1 1  -19   30    5 o  149.161   14.940   63.993   12.042   0.0000   0.0000   63.993   12.042  ?   ?   149.161   14.940      ?      ? 
1 1 1  -19   30    6 o   52.709   15.559   4.0732   7.3374   2.7725   9.7775   5.7499   11.101   49.714   21.052   55.705   22.916 -5.990704 31.11806 
1 1 1  -19   30    7 o  133.439   16.627   52.006   11.989   0.0000   0.0000   52.006   11.989  ?   ?   133.439   16.627      ?      ? 
1 1 1  -19   30    8 o  196.481   12.935  109.454   13.733   0.0000   0.0000  109.454   13.733  ?   ?   196.481   12.935      ?      ? 
1 1 1  -19   30    9 o   49.167   14.830  -0.6879   7.1044  -6.9289   9.1120   8.9875   11.345   38.042   17.795   60.291   23.729 -22.24921 29.65980 
1 1 1  -19   30   10 o  101.470   14.787   32.346   7.9496   37.368   10.946   26.740   11.565  112.275   18.042   90.665   23.434 21.60968 29.57483 
1 1 1  -19   30   11 f   45.624   14.468  -2.3914   7.4971   1.1253   10.027  -6.8492   11.289   48.107   20.858   43.140   20.055 4.966915 28.93567 
1 1 1  -19   30   12 o   70.232   16.856   15.244   7.6687   12.363   10.451   18.606   11.288   64.685   23.344   75.779   24.322 -11.09389 33.71221 
1 1 1  -19   30   13 o   56.475   15.572   4.7765   7.1747  -2.0489   9.2157   15.279   11.432   42.893   19.227   70.056   24.501 -27.16370 31.14393 
1 1 1  -19   30   14 o   52.497   15.376   2.0681   7.8265   10.826   10.653  -8.2010   11.536   62.343   23.381   42.652   19.974 19.69081 30.75109 
1 1 1  -19   30   15 o   61.957   16.498   10.102   7.6625   5.9472   10.571   14.701   11.123   55.033   22.469   68.880   24.163 -13.84697 32.99536 
1 1 1  -19   30   16 o  143.202   11.344   60.171   8.6884   69.103   12.260   51.158   12.315  154.823   14.655  131.582   17.320 23.24045 22.68745 
1 1 1  -19   30   17 o   68.658   20.434   11.014   10.712   12.718   25.576   10.651   11.796   74.772   32.847   62.544   24.316 12.22803 40.86819 
1 1 1  -19   30   18 o   53.228   17.904  -6.9861   10.097  -0.9464   24.774  -8.1892   11.057   65.209   30.102   41.247   19.392 23.96221 35.80716 
1 1 1  -19   30   19 o   52.813   16.761   0.2422   9.5430   3.3354   11.291  -7.4932   17.855   52.239   22.386   53.386   24.952 -1.146801 33.52250 
1 1 1  -19   30   20 o   71.159   19.703   11.709   9.7998   6.2658   11.283   28.423   19.771   55.718   23.031   86.599   31.975 -30.88111 39.40604 
1 1 1  -19   30   21 o   96.914   15.042   30.738   8.4209   13.007   11.755   49.425   12.068   65.369   24.552  128.459   17.386 -63.09036 30.08439 
1 1 1  -19   30   22 o   71.104   15.784   16.087   7.8521   26.719   10.634   3.3401   11.644   89.883   22.059   52.326   22.582 37.55761 31.56773 
1 1 1  -19   30   23 o   34.173   16.875 -20.3909   11.320   0.0000   0.0000 -20.3909   11.320  ?   ?    34.173   16.875      ?      ? 
1 1 1  -19   30   24 o   50.023   15.339   2.0998   7.8309  -2.9111   10.834   7.5826   11.332   44.073   20.183   55.973   23.104 -11.89947 30.67874 
1 1 1  -19   30   25 o   63.645   16.084   10.546   8.3077   23.501   11.514  -3.5209   11.998   81.500   24.307   45.790   21.069 35.70932 32.16763 
1 1 1  -19   30   26 o   57.636   17.163   7.1602   9.1844   10.631   11.228   0.1421   15.966   60.482   23.665   54.790   24.864 5.691319 34.32567 
1 1 1  -19   30   27 o  144.443   14.614   65.222   11.231   60.743   14.501   71.937   17.756  139.809   19.194  149.077   22.042 -9.267563 29.22776 
1 1 1  -19   30   28 o   55.316   17.439   2.4504   10.485   2.7410   13.827   2.0572   16.083   54.229   23.973   56.403   25.333 -2.174580 34.87770 
1 1 1  -19   30   29 o   95.579   19.868   34.315   10.931   25.811   14.029   47.455   17.438   81.499   27.177  109.658   28.988 -28.15889 39.73533 
1 1 1  -19   30   30 o   74.151   19.241   22.303   10.234   14.178   13.280   34.189   16.061   61.831   25.207   86.470   29.078 -24.63910 38.48273 
1 1 1  -19   30   31 o   47.961   23.122  -8.5833   17.875   0.0000   0.0000  -8.5833   17.875  ?   ?    47.961   23.122      ?      ? 
1 1 1  -19   30   32 o   55.690   26.026   0.7718   19.417   0.0000   0.0000   0.7718   19.417  ?   ?    55.690   26.026      ?      ? 
1 1 1  -19   30   33 o   45.225   15.835 -21.5665   13.833 -33.1306   24.607 -16.2230   16.727   46.815   23.405   43.635   21.337 3.180347 31.67058 
1 1 1  -19   30   34 o   54.209   15.930   4.9903   8.4508  -7.0117   11.216   20.750   12.853   39.345   18.795   69.072   25.725 -29.72710 31.85956 
1 1 1  -19   31    1 o  161.104   14.552   74.960   12.668   0.0000   0.0000   74.960   12.668  ?   ?   161.104   14.552      ?      ? 
1 1 1  -19   31    2 o   87.342   15.181   24.155   7.3293   16.010   9.9652   33.752   10.817   70.645   22.871  104.039   19.968 -33.39440 30.36101 
1 1 1  -19   31    3 o  147.965   10.321   63.713   8.1768   70.105   11.292   56.666   11.856  156.614   13.343  139.316   15.749 17.29877 20.64148 
1 1 1  -19   31    4 o   78.516   16.159   20.318   7.4512   24.658   10.218   15.390   10.889   87.495   21.715   69.538   23.935 17.95771 32.31721 
1 1 1  -19   31    5 o  111.212   13.469   37.337   7.8922   33.574   10.515   42.193   11.944  104.061   19.413  118.363   18.675 -14.30135 26.93702 
1 1 1  -19   31    6 o   84.127   16.367   23.340   7.6681   23.612   10.518   23.031   11.203   84.995   22.534   83.259   23.742 1.736198 32.73323 
1 1 1  -19   31    7 o  149.551   15.356   65.222   12.410   0.0000   0.0000   65.222   12.410  ?   ?   149.551   15.356      ?      ? 
1 1 1  -19   31    8 o   94.935   15.558   28.838   7.8083   25.030   10.452   33.648   11.746   87.688   22.074  102.183   21.929 -14.49539 31.11508 
1 1 1  -19   31    9 o  101.603   15.011   32.895   7.9686   30.544   10.943   35.549   11.627   97.555   21.352  105.651   21.104 -8.096786 30.02104 
1 1 1  -19   31   10 o   62.074   16.525   10.493   7.5768   6.7537   10.027   15.471   11.568   54.774   22.056   69.373   24.613 -14.59930 33.04947 
1 1 1  -19   31   11 o   50.083   15.225   2.4374   7.4402   0.7728   10.293   4.2588   10.767   47.661   20.890   52.505   22.154 -4.843628 30.45008 
1 1 1  -19   31   12 o   52.184   14.797   3.1498   7.3565   12.585   9.6244 -10.1089   11.409   63.795   22.469   40.573   19.260 23.22215 29.59451 
1 1 1  -19   31   13 o   51.808   14.878  -1.6361   7.6722 -15.5925   10.384   15.140   11.385   34.905   17.012   68.711   24.413 -33.80621 29.75543 
1 1 1  -19   31   14 o   75.505   16.719   18.670   8.2013   27.401   11.453   9.4805   11.750   90.663   23.262   60.347   24.021 30.31587 33.43862 
1 1 1  -19   31   15 o  101.725   20.723   33.135   11.004   33.135   11.004   0.0000   0.0000  101.725   20.723  ?   ?       ?      ? 
1 1 1  -19   31   16 o   60.351   16.214   9.3390   7.5842   3.2346   10.182   16.947   11.367   49.813   21.300   70.889   24.451 -21.07565 32.42774 
1 1 1  -19   31   17 f   64.595   16.254   10.929   7.8633   1.2263   10.452   23.582   11.936   47.648   20.963   81.541   24.846 -33.89270 32.50811 
1 1 1  -19   31   18 o   76.744   20.114   22.553   10.763   14.214   24.916   24.465   11.933   70.857   31.698   82.631   24.768 -11.77411 40.22761 
1 1 1  -19   31   19 o   71.540   20.955   15.315   11.008   26.779   25.386   12.660   12.217   79.703   33.845   63.378   24.717 16.32559 41.90944 
1 1 1  -19   31   20 o   65.939   24.551   14.337   11.705   14.337   11.705   0.0000   0.0000   65.939   24.551  ?   ?       ?      ? 
1 1 1  -19   31   21 o   57.400   23.758   7.7723   12.029   7.7723   12.029   0.0000   0.0000   57.400   23.758  ?   ?       ?      ? 
1 1 1  -19   31   22 o   94.382   19.152   31.847   10.055   28.986   12.750   36.554   16.353   90.605   25.151   98.159   28.891 -7.553589 38.30476 
1 1 1  -19   31   23 o  107.262   17.826   43.111   11.108   58.041   14.679   23.108   16.991  135.894   19.990   78.629   29.520 57.26542 35.65136 
1 1 1  -19   31   24 f   50.316   16.089  -2.4212   9.9377   6.2545   12.617 -16.5991   16.129   55.965   23.815   44.666   21.638 11.29870 32.17704 
1 1 1  -19   31   25 o   56.491   17.524   5.7785   10.534   11.081   13.980  -1.1874   16.024   60.861   25.436   52.120   24.112 8.740425 35.04795 
1 1 1  -19   31   26 o   98.011   19.509   39.257   10.725   30.946   13.833   51.779   16.980   85.352   26.874  110.670   28.287 -25.31789 39.01758 
1 1 1  -19   31   27 o  101.306   24.877   40.068   13.519   40.068   13.519   0.0000   0.0000  101.306   24.877  ?   ?       ?      ? 
1 1 1  -19   31   28 o   52.611   15.625   2.9963   8.5427   15.767   11.829 -10.9272   12.351   65.215   24.601   40.007   19.270 25.20837 31.24939 
1 1 1  -19   31   29 f   54.143   17.661  -7.2470   14.154 -50.6982   23.812   16.491   17.600   42.339   21.405   65.946   28.097 -23.60775 35.32122 
1 1 1  -19   31   30 o   66.411   20.431   12.178   14.385   42.883   22.794  -8.1441   18.544   84.383   33.499   48.439   23.401 35.94468 40.86297 
1 1 1  -19   31   31 o   69.474   21.136   24.234   13.822   37.320   22.992   16.829   17.296   76.580   32.347   62.369   27.214 14.21072 42.27233 
1 1 1  -19   32    1 o   50.158   15.120   3.1774   7.4592   7.5718   9.9285  -2.5173   11.302   54.802   21.990   45.514   20.756 9.288048 30.23902 
1 1 1  -19   32    2 o   92.724   16.163   28.869   7.9940   26.015   10.573   32.680   12.215   87.773   22.259   97.675   23.441 -9.901543 32.32545 
1 1 1  -19   32    3 o   95.704   15.226   29.385   8.0158   19.075   10.647   42.877   12.179   74.316   23.597  117.092   19.248 -42.77639 30.45178 
1 1 1  -19   32    4 o   59.449   16.070   8.1484   7.6578   0.3256   10.144   18.514   11.677   46.114   20.452   72.784   24.792 -26.66947 32.13946 
1 1 1  -19   32    5 o   64.987   16.404   11.428   7.8068   2.8650   10.218   23.438   12.100   49.014   21.153   80.960   25.077 -31.94600 32.80755 
1 1 1  -19   32    6 o   98.396   15.166   32.948   8.0543   41.431   10.987   23.092   11.843  116.326   17.478   80.465   24.790 35.86131 30.33184 
1 1 1  -19   32    7 o   59.298   15.264   8.1515   7.7548   20.091   10.333  -7.2441   11.734   76.159   23.098   42.438   19.960 33.72134 30.52699 
1 1 1  -19   32    8 o   41.461   13.773  -6.8940   7.8639  -6.0297   10.880  -7.8395   11.379   41.631   19.464   41.292   19.492 0.3386536 27.54658 
1 1 1  -19   32    9 o   60.680   15.979   9.1330   8.1797   20.501   11.157  -4.0776   12.027   76.087   24.155   45.272   20.925 30.81422 31.95838 
1 1 1  -19   32   10 o   47.537   14.992   0.2393   7.6799  -1.3498   9.9703   2.5577   12.043   43.877   19.804   51.196   22.514 -7.319611 29.98465 
1 1 1  -19   32   11 o   51.058   16.089   0.4066   8.6416  -3.2371   10.813   6.8468   14.376   43.803   20.098   58.314   25.129 -14.51064 32.17791 
1 1 1  -19   32   12 o   47.887   15.554  -3.4672   8.9685  -6.4689   11.554   1.0822   14.225   42.727   20.003   53.048   23.825 -10.32128 31.10873 
1 1 1  -19   32   13 o  111.998   16.802   43.989   9.8809   50.135   12.902   35.270   15.367  127.006   18.799   96.991   27.853 30.01469 33.60365 
1 1 1  -19   32   14 o   72.173   18.687   17.645   10.160   25.698   13.845   8.2477   14.957   83.574   26.948   60.772   25.897 22.80164 37.37427 
1 1 1  -19   32   15 o   54.264   16.368  -5.5617   10.416   17.394   14.184 -32.4324   15.346   71.230   26.922   37.297   18.622 33.93314 32.73505 
1 1 1  -19   32   16 o  261.928   10.631  203.014   14.919  232.432   21.190  174.099   21.008  282.433   13.884  241.423   16.103 41.00992 21.26258 
1 1 1  -19   32   17 o   89.664   19.709   30.315   10.842   36.014   14.848   23.806   15.868   99.534   26.946   79.794   28.770 19.73992 39.41799 
1 1 1  -19   32   18 o   44.457   15.044 -12.1445   10.185 -14.3423   13.777  -9.4955   15.125   41.958   20.246   46.956   22.258 -4.998219 30.08827 
1 1 1  -19   32   19 o   52.593   24.111  -0.7538   15.519   0.0000   0.0000  -0.7538   15.519  ?   ?    52.593   24.111      ?      ? 
1 1 1  -19   32   20 o   49.828   23.220  -2.2448   15.281   0.0000   0.0000  -2.2448   15.281  ?   ?    49.828   23.220      ?      ? 
1 1 1  -19   32   21 o   44.072   15.257 -12.6398   11.211  -9.2117   13.103 -22.0045   21.657   41.536   19.967   46.609   23.075 -5.072590 30.51431 
1 1 1  -19   32   22 o   46.915   15.839  -4.5345   10.015  -5.5609   11.783  -1.8626   19.011   41.657   19.717   52.172   24.795 -10.51470 31.67839 
1 1 1  -19   32   23 o   51.322   15.503   2.0194   8.0563  -7.4560   10.596   15.000   12.402   38.864   18.482   63.781   24.895 -24.91653 31.00566 
1 1 1  -19   32   24 o   52.695   16.094   5.6471   8.3709   3.2014   11.373   8.5378   12.365   49.331   21.778   56.060   23.703 -6.729057 32.18865 
1 1 1  -19   32   25 o   44.086   14.458  -5.7103   8.4451 -15.1680   11.442   5.6077   12.517   35.787   17.530   52.385   22.996 -16.59839 28.91621 
1 1 1  -19   32   26 f   51.352   17.488  -6.0178   14.027   6.7275   21.585 -15.3356   18.456   57.595   27.083   45.108   22.131 12.48623 34.97515 
1 1 1  -19   32   27 o   56.254   18.691   6.0700   14.803  -3.7027   22.330   13.732   19.772   52.338   25.379   60.171   27.445 -7.832752 37.38124 
1 1 1  -19   33    1 o   83.857   18.093   22.174   9.6347   9.8401   12.331   41.509   15.438   60.350   24.404  107.364   26.718 -47.01400 36.18557 
1 1 1  -19   33    2 o   77.981   18.013   22.011   9.5405   29.752   12.447   10.986   14.854   92.303   24.535   63.660   26.379 28.64212 36.02513 
1 1 1  -19   33    3 o  108.885   17.140   43.146   10.233   55.225   13.511   26.892   15.673  133.623   18.712   84.147   28.723 49.47589 34.28011 
1 1 1  -19   33    4 o   43.449   14.686 -11.5936   9.6552  -7.6959   12.312 -17.8198   15.561   43.463   20.443   43.435   21.091 0.2812195E-01 29.37230 
1 1 1  -19   33    5 o   52.383   16.573  -0.7339   10.158   7.3806   13.133 -12.8153   16.025   58.111   24.491   46.654   22.335 11.45635 33.14631 
1 1 1  -19   33    6 o   39.539   13.897 -33.0855   11.775 -18.6667   15.660 -51.8468   17.863   43.120   20.988   35.958   18.220 7.162609 27.79337 
1 1 1  -19   33    7 f   42.318   21.045 -33.3784   18.813   0.0000   0.0000 -33.3784   18.813  ?   ?    42.318   21.045      ?      ? 
1 1 1  -19   33    8 o   46.625   15.810 -12.7826   11.086 -16.5270   14.316  -7.1734   17.522   41.680   20.237   51.569   24.296 -9.888523 31.61988 
1 1 1  -19   33    9 o   42.015   14.545 -21.0951   10.981 -28.1982   15.018 -12.9369   16.095   37.848   18.819   46.183   22.182 -8.334999 29.08924 
1 1 1  -19   33   10 o   70.617   18.915   14.969   10.314   4.6036   13.207   31.171   16.513   54.170   23.705   87.064   29.483 -32.89392 37.83096 
1 1 1  -19   33   11 o   83.965   18.337   28.502   10.408   39.392   13.669   13.480   16.055  103.706   24.738   64.224   27.074 39.48275 36.67361 
1 1 1  -19   33   12 o   78.187   17.120   21.250   9.5510   41.419   14.107   4.1799   12.978  104.374   25.280   51.999   23.094 52.37559 34.24036 
1 1 1  -19   33   13 o   64.041   17.491   15.425   9.0168   8.4347   13.203   21.536   12.344   55.483   23.995   72.600   25.455 -17.11616 34.98214 
1 1 1  -19   33   14 o   58.211   16.696   11.827   8.1050   11.069   10.591   12.898   12.592   56.794   22.739   59.627   24.453 -2.833447 33.39228 
1 1 1  -19   33   15 o   40.184   13.502  -6.4393   7.9619  -4.5247   10.602  -8.9159   12.058   40.417   18.998   39.950   19.191 0.4677773 27.00372 
1 1 1  -19   33   16 o   64.772   17.075   16.004   8.1377   18.329   10.798   12.947   12.381   69.019   23.830   60.526   24.461 8.493275 34.14984 
1 1 1  -19   33   17 o   56.337   16.350   9.5045   7.9520   9.8960   10.659   9.0132   11.941   56.500   22.745   56.174   23.495 0.3258286 32.70090 
1 1 1  -19   33   18 o   52.249   15.532   1.4136   8.0989  -9.7741   10.616   16.994   12.528   37.510   18.016   66.987   25.306 -29.47704 31.06339 
1 1 1  -19   33   19 o   44.673   14.605  -2.2612   8.2802  -2.9820   11.398  -1.4557   12.049   43.564   20.218   45.781   21.083 -2.217693 29.21066 
1 1 1  -19   33   20 o   52.486   17.348   2.1586   10.674   2.9797   22.458   1.9190   12.132   56.994   27.046   47.978   21.733 9.015034 34.69609 
1 1 1  -19   33   21 o   88.013   20.218   38.077   11.230   36.194   22.700   38.687   12.922   76.963   32.305   99.064   24.319 -22.10085 40.43531 
1 1 1  -19   33   22 o   45.945   15.563  -3.7740   9.8864  -3.5405   11.507  -4.4324   19.322   41.976   19.750   49.913   24.057 -7.937050 31.12542 
1 1 1  -19   34    1 o  101.013   15.760   36.500   8.3347   38.856   11.112   33.470   12.602  107.582   19.846   94.444   24.488 13.13862 31.52043 
1 1 1  -19   34    2 o   34.578   12.020 -14.5943   7.2063 -15.3837   8.9232 -13.1142   12.219   30.557   15.069   38.600   18.731 -8.042990 24.03977 
1 1 1  -19   34    3 o  116.452   14.070   44.398   8.5722   36.745   11.358   54.528   13.067  103.252   21.070  129.652   18.651 -26.40063 28.13915 
1 1 1  -19   34    4 o   51.273   15.737   4.7452   8.0920   2.3624   11.061   7.4888   11.869   48.075   21.338   54.470   23.137 -6.395809 31.47382 
1 1 1  -19   34    5 o   70.441   17.517   18.951   8.2573   18.305   11.304   19.690   12.090   69.569   24.362   71.312   25.177 -1.743340 35.03368 
1 1 1  -19   34    6 f   56.080   16.542   8.2972   8.1875   5.2858   10.523   12.918   13.034   50.583   21.642   61.577   25.023 -10.99409 33.08371 
1 1 1  -19   34    7 o   39.933   13.603 -10.8974   8.5813 -12.6091   11.403  -8.6624   13.031   37.349   18.117   42.517   20.296 -5.167587 27.20541 
1 1 1  -19   34    8 o   69.414   17.656   18.656   8.7856   23.160   11.743   12.929   13.241   77.324   24.806   61.504   25.133 15.82049 35.31257 
1 1 1  -19   34    9 o   64.831   17.543   15.324   9.1025   21.873   12.333   7.4869   13.491   74.182   25.476   55.480   24.124 18.70156 35.08563 
1 1 1  -19   34   10 o   47.371   15.182   0.7863   8.4698   3.8003   11.363  -2.9811   12.705   49.390   21.788   45.351   21.147 4.038864 30.36307 
1 1 1  -19   34   11 o   56.024   16.489   9.8243   8.3554   12.232   11.192   6.7932   12.558   58.885   23.443   53.163   23.193 5.721546 32.97719 
1 1 1  -19   34   12 f   53.067   15.878   7.0166   8.4014   13.823   11.166  -1.8651   12.755   60.610   23.631   45.525   21.215 15.08522 31.75692 
1 1 1  -19   34   13 o   83.863   17.031   28.791   8.5465   36.427   11.870   20.572   12.315   98.214   22.804   69.512   25.302 28.70251 34.06212 
1 1 1  -19   34   14 o   46.779   14.900   2.6682   7.9334   4.2472   10.411   0.4818   12.251   47.451   20.898   46.108   21.243 1.342827 29.79932 
1 1 1  -19   34   15 o   55.799   15.705   9.8783   8.1233   18.516   10.547  -2.7172   12.736   67.361   23.535   44.236   20.802 23.12495 31.41051 
1 1 1  -18    0    1 o  283.661   4.3224  217.756   9.3598  217.756   9.3598  217.756   9.3598  283.661   6.1127  283.661   6.1127 0.000000 0.000000 
1 1 1  -18    0    2 o  611.467   7.6266  1011.92   35.613  1011.92   35.613  1011.92   35.613  611.467   10.786  611.467   10.786 0.000000 0.000000 
1 1 1  -18    0    3 o   45.061   9.0297   6.6572   2.6933   6.6572   2.6933   6.6572   2.6933   45.061   12.770   45.061   12.770 0.000000 0.000000 
1 1 1  -18    0    4 o   70.557   5.5117   13.942   2.8793   13.942   2.8793   13.942   2.8793   70.557   7.7947   70.557   7.7947 0.000000 0.000000 
1 1 1  -18    0    5 o  100.295   4.4003   27.498   3.3429   27.498   3.3429   27.498   3.3429  100.295   6.2230  100.295   6.2230 0.000000 0.000000 
1 1 1  -18    0    6 o  257.858   4.1841  179.972   8.2350  179.972   8.2350  179.972   8.2350  257.858   5.9172  257.858   5.9172 0.000000 0.000000 
1 1 1  -18    0    7 o  417.155   5.5925  470.869   17.814  470.869   17.814  470.869   17.814  417.155   7.9090  417.155   7.9090 0.000000 0.000000 
1 1 1  -18    0    8 o  394.277   5.3840  420.641   16.209  420.641   16.209  420.641   16.209  394.277   7.6142  394.277   7.6142 0.000000 0.000000 
1 1 1  -18    0    9 o  997.404   17.060  2702.70  129.858  2702.70  129.858  2702.70  129.858  997.404   24.126  997.404   24.126 0.000000 0.000000 
1 1 1  -18    0   12 o  482.400   8.9426  630.631   32.915  630.631   32.915  630.631   32.915  482.400   12.647  482.400   12.647 0.000000 0.000000 
1 1 1  -18    0   13 o  1165.04   13.971  3678.35  124.305  3678.35  124.305  3678.35  124.305  1165.04   19.758  1165.04   19.758 0.000000 0.000000 
1 1 1  -18    0   14 f  591.473   7.4666  946.674   33.725  946.674   33.725  946.674   33.725  591.473   10.559  591.473   10.559 0.000000 0.000000 
1 1 1  -18    0   15 o  257.737   4.3967  179.827   8.6483  179.827   8.6483  179.827   8.6483  257.737   6.2178  257.737   6.2178 0.000000 0.000000 
1 1 1  -18    0   16 o  272.746   4.5184  201.362   9.4061  201.362   9.4061  201.362   9.4061  272.746   6.3900  272.746   6.3900 0.000000 0.000000 
1 1 1  -18    0   17 o  115.979   5.3539   36.815   4.6988   36.815   4.6988   36.815   4.6988  115.979   7.5716  115.979   7.5716 0.000000 0.000000 
1 1 1  -18    0   18 o  1202.14   14.406  3915.33  132.258  3915.33  132.258  3915.33  132.258  1202.14   20.373  1202.14   20.373 0.000000 0.000000 
1 1 1  -18    0   19 o  251.939   4.5788  171.865   8.8025  171.865   8.8025  171.865   8.8025  251.939   6.4755  251.939   6.4755 0.000000 0.000000 
1 1 1  -18    0   20 o  456.325   6.1181  563.383   21.318  563.383   21.318  563.383   21.318  456.325   8.6523  456.325   8.6523 0.000000 0.000000 
1 1 1  -18    0   21 o  119.851   6.1580   39.432   5.5717   39.432   5.5717   39.432   5.5717  119.851   8.7088  119.851   8.7088 0.000000 0.000000 
1 1 1  -18    0   22 o  422.305   5.8758  482.542   18.946  482.542   18.946  482.542   18.946  422.305   8.3096  422.305   8.3096 0.000000 0.000000 
1 1 1  -18    0   23 o  651.389   8.1973  1148.15   40.776  1148.15   40.776  1148.15   40.776  651.389   11.593  651.389   11.593 0.000000 0.000000 
1 1 1  -18    0   24 o  139.341   6.9220   53.253   7.2872   53.253   7.2872   53.253   7.2872  139.341   9.7892  139.341   9.7892 0.000000 0.000000 
1 1 1  -18    0   25 o  565.166   7.3900  864.300   31.893  864.300   31.893  864.300   31.893  565.166   10.451  565.166   10.451 0.000000 0.000000 
1 1 1  -18    0   26 o  203.564   5.5645  112.492   8.6269  112.492   8.6269  112.492   8.6269  203.564   7.8694  203.564   7.8694 0.000000 0.000000 
1 1 1  -18    0   27 o  401.295   5.8955  435.803   18.062  435.803   18.062  435.803   18.062  401.295   8.3376  401.295   8.3376 0.000000 0.000000 
1 1 1  -18    0   28 o  312.009   5.3818  263.572   12.815  263.572   12.815  263.572   12.815  312.009   7.6110  312.009   7.6110 0.000000 0.000000 
1 1 1  -18    0   29 o  531.319   7.0722  763.986   28.692  763.986   28.692  763.986   28.692  531.319   10.002  531.319   10.002 0.000000 0.000000 
1 1 1  -18    0   30 o  802.027   9.9362  1741.62   60.857  1741.62   60.857  1741.62   60.857  802.027   14.052  802.027   14.052 0.000000 0.000000 
1 1 1  -18    0   31 o  434.655   6.4698  511.377   21.469  511.377   21.469  511.377   21.469  434.655   9.1497  434.655   9.1497 0.000000 0.000000 
1 1 1  -18    0   32 o  481.050   6.7960  626.355   24.961  626.355   24.961  626.355   24.961  481.050   9.6110  481.050   9.6110 0.000000 0.000000 
1 1 1  -18    0   33 o  521.422   7.2659  735.963   28.927  735.963   28.927  735.963   28.927  521.422   10.276  521.422   10.276 0.000000 0.000000 
1 1 1  -18    0   34 o  1160.16   14.018  3649.97  124.202  3649.97  124.202  3649.97  124.202  1160.16   19.825  1160.16   19.825 0.000000 0.000000 
1 1 1  -18    0   35 o  540.642   7.3417  791.341   30.307  791.341   30.307  791.341   30.307  540.642   10.383  540.642   10.383 0.000000 0.000000 
1 1 1  -18    0   36 o  522.876   7.1473  740.186   28.535  740.186   28.535  740.186   28.535  522.876   10.108  522.876   10.108 0.000000 0.000000 
1 1 1  -18    0   37 o  826.404   10.252  1850.88   64.698  1850.88   64.698  1850.88   64.698  826.404   14.498  826.404   14.498 0.000000 0.000000 
1 1 1  -18    0   38 o  126.208   9.7793   44.664   9.1436   44.664   9.1436   44.664   9.1436  126.208   13.830  126.208   13.830 0.000000 0.000000 
1 1 1  -18    0   39 o   61.762   21.255   15.331   11.789   15.331   11.789   15.331   11.789   61.762   30.059   61.762   30.059 0.000000 0.000000 
1 1 1  -18    0   42 o  259.277   5.8460  182.442   11.557  182.442   11.557  182.442   11.557  259.277   8.2676  259.277   8.2676 0.000000 0.000000 
1 1 1  -18    0   43 o  524.839   7.1258  746.832   28.556  746.832   28.556  746.832   28.556  524.839   10.077  524.839   10.077 0.000000 0.000000 
1 1 1  -18    0   44 o   29.771   13.776  -0.9822   7.7625  -0.9822   7.7625  -0.9822   7.7625   29.771   19.483   29.771   19.483 0.000000 0.000000 
1 1 1  -18    0   45 o  561.088   7.4664  854.528   31.989  854.528   31.989  854.528   31.989  561.088   10.559  561.088   10.559 0.000000 0.000000 
1 1 1  -18    0   46 o   65.877   16.789   15.724   7.7433   15.724   7.7433   15.724   7.7433   65.877   23.744   65.877   23.744 0.000000 0.000000 
1 1 1  -18    0   47 o  272.634   5.7669  201.891   11.991  201.891   11.991  201.891   11.991  272.634   8.1557  272.634   8.1557 0.000000 0.000000 
1 1 1  -18    0   48 o  206.583   6.0189  116.272   9.4653  116.272   9.4653  116.272   9.4653  206.583   8.5120  206.583   8.5120 0.000000 0.000000 
1 1 1  -18    0   49 o  422.654   6.2682  485.166   20.225  485.166   20.225  485.166   20.225  422.654   8.8645  422.654   8.8645 0.000000 0.000000 
1 1 1  -18    0   50 o   79.566   14.034   20.266   7.3830   20.266   7.3830   20.266   7.3830   79.566   19.847   79.566   19.847 0.000000 0.000000 
1 1 1  -18    0   51 o  263.202   5.6918  188.493   11.424  188.493   11.424  188.493   11.424  263.202   8.0494  263.202   8.0494 0.000000 0.000000 
1 1 1  -18    0   52 o  190.754   6.3730   99.536   9.2429   99.536   9.2429   99.536   9.2429  190.754   9.0128  190.754   9.0128 0.000000 0.000000 
1 1 1  -18    0   53 o  261.761   5.8339  186.689   11.644  186.689   11.644  186.689   11.644  261.761   8.2504  261.761   8.2504 0.000000 0.000000 
1 1 1  -18    0   54 o  299.263   5.6885  243.938   12.988  243.938   12.988  243.938   12.988  299.263   8.0448  299.263   8.0448 0.000000 0.000000 
1 1 1  -18    0   55 f  186.446   6.5612   95.428   9.2957   95.428   9.2957   95.428   9.2957  186.446   9.2789  186.446   9.2789 0.000000 0.000000 
1 1 1  -18    0   56 o  108.255   10.186   33.968   8.0092   33.968   8.0092   33.968   8.0092  108.255   14.405  108.255   14.405 0.000000 0.000000 
1 1 1  -18    0   57 o   34.896   15.040   3.4764   7.5573   3.4764   7.5573   3.4764   7.5573   34.896   21.270   34.896   21.270 0.000000 0.000000 
1 1 1  -18    0   58 o  161.463   7.0853   72.186   8.6653   72.186   8.6653   72.186   8.6653  161.463   10.020  161.463   10.020 0.000000 0.000000 
1 1 1  -18    0   59 o  230.249   6.3394  145.585   11.116  145.585   11.116  145.585   11.116  230.249   8.9653  230.249   8.9653 0.000000 0.000000 
1 1 1  -18    0   60 o  199.960   6.4579  110.052   9.8213  110.052   9.8213  110.052   9.8213  199.960   9.1329  199.960   9.1329 0.000000 0.000000 
1 1 1  -18    0   61 o  169.150   7.5814   79.758   9.7097   79.758   9.7097   79.758   9.7097  169.150   10.722  169.150   10.722 0.000000 0.000000 
1 1 1  -18    0   62 o   54.825   18.010   13.124   8.3658   13.124   8.3658   13.124   8.3658   54.825   25.470   54.825   25.470 0.000000 0.000000 
1 1 1  -18    0   63 f   32.767   14.939   1.3832   8.6684   1.3832   8.6684   1.3832   8.6684   32.767   21.127   32.767   21.127 0.000000 0.000000 
1 1 1  -18    0   65 o  127.460   9.9922   48.096   9.4270   48.096   9.4270   48.096   9.4270  127.460   14.131  127.460   14.131 0.000000 0.000000 
1 1 1  -18    1    1 o  635.766   7.8927  1093.87   27.115  1089.88   38.238  1097.91   38.455  634.601   11.151  636.930   11.173 -2.329712 15.78546 
1 1 1  -18    1    2 o  190.256   3.7919   97.719   3.8954  100.781   5.6453   94.937   5.3819  193.097   5.4103  187.416   5.3142 5.681549 7.583705 
1 1 1  -18    1    3 f  449.769   5.8906  546.805   14.311  555.965   20.587  538.239   19.908  453.409   8.4026  446.129   8.2580 7.279419 11.78127 
1 1 1  -18    1    4 o  116.322   4.1271   36.562   2.5909   36.820   3.7659   36.330   3.5701  116.710   5.9713  115.934   5.6987 0.7758484 8.254210 
1 1 1  -18    1    5 o  426.270   5.6566  491.301   13.028  495.236   18.574  487.491   18.279  427.948   8.0322  424.592   7.9670 3.356445 11.31320 
1 1 1  -18    1    6 o  464.399   6.0627  583.259   15.214  582.621   21.524  583.896   21.508  464.144   8.5820  464.653   8.5659 -0.5083313 12.12544 
1 1 1  -18    1    7 o  456.943   5.9937  564.520   14.796  571.413   21.188  557.960   20.672  459.662   8.5304  454.224   8.4220 5.437653 11.98740 
1 1 1  -18    1    8 o  179.899   3.9381   87.450   3.8276   88.998   5.4745   85.970   5.3536  181.456   5.5833  178.343   5.5553 3.113190 7.876155 
1 1 1  -18    1    9 o  257.509   6.0256  179.347   8.3838  177.342   11.890  181.329   11.823  256.076   8.5929  258.942   8.4494 -2.866272 12.05115 
1 1 1  -18    1   12 o  233.618   5.1426  145.163   6.1357  140.499   7.4775  154.775   10.735  227.990   6.0695  239.247   8.3033 -11.25734 10.28516 
1 1 1  -18    1   13 o  918.882   11.128  2287.46   55.251  2294.63   78.423  2280.40   77.854  920.306   15.770  917.458   15.704 2.847778 22.25521 
1 1 1  -18    1   14 o  662.953   8.2418  1189.16   29.525  1185.11   41.636  1193.26   41.875  661.817   11.642  664.088   11.669 -2.271057 16.48365 
1 1 1  -18    1   15 o  397.576   5.4941  427.238   11.802  421.719   16.521  432.990   16.864  394.955   7.7411  400.196   7.7984 -5.241333 10.98813 
1 1 1  -18    1   16 o  379.043   5.3344  388.287   10.924  393.969   15.646  382.883   15.258  381.747   7.5849  376.340   7.5029 5.407104 10.66888 
1 1 1  -18    1   17 o  1187.59   14.241  3825.49   91.390  3810.80  128.729  3840.42  129.767  1185.30   20.098  1189.88   20.183 -4.577148 28.48285 
1 1 1  -18    1   18 o  441.650   5.9521  527.344   14.205  527.703   20.096  526.985   20.081  441.800   8.4178  441.499   8.4172 0.3005676 11.90418 
1 1 1  -18    1   19 o   82.377   7.1983   18.571   3.1068   24.452   4.4799   13.122   4.3122   95.102   8.7174   69.652   11.457 25.45047 14.39655 
1 1 1  -18    1   20 o  611.705   7.7318  1011.73   25.553  1023.15   36.528  1000.80   35.759  615.079   10.990  608.331   10.878 6.748230 15.46354 
1 1 1  -18    1   21 o  1356.55   16.210  4991.86  118.819  4959.36  166.884  5025.27  169.210  1352.09   22.841  1361.01   23.008 -8.914917 32.42041 
1 1 1  -18    1   22 o  716.072   8.8913  1386.99   34.401  1398.74   49.063  1375.62   48.247  719.052   12.627  713.093   12.521 5.959534 17.78253 
1 1 1  -18    1   23 o  660.949   8.3059  1181.62   29.663  1174.28   41.700  1189.14   42.206  658.874   11.712  663.025   11.780 -4.150818 16.61183 
1 1 1  -18    1   24 o  792.033   9.7657  1697.73   41.796  1696.03   59.118  1699.43   59.099  791.636   13.820  792.431   13.802 -0.7954712 19.53148 
1 1 1  -18    1   25 o  562.342   7.3140  854.707   22.214  840.069   30.848  870.473   32.016  557.349   10.243  567.335   10.443 -9.985779 14.62797 
1 1 1  -18    1   26 f  542.925   7.1448  796.841   20.955  785.501   29.207  808.871   30.082  538.950   10.029  546.901   10.179 -7.950928 14.28955 
1 1 1  -18    1   27 o  105.955   8.8382   31.214   4.9222   36.118   6.6153   25.132   7.3672  115.557   10.594   96.353   14.150 19.20428 17.67633 
1 1 1  -18    1   28 o  1055.94   12.769  3022.78   72.856  3003.67  102.367  3042.40  103.714  1052.57   17.998  1059.31   18.119 -6.741089 25.53838 
1 1 1  -18    1   29 o  374.226   5.7672  378.548   11.659  373.414   16.265  383.976   16.722  371.618   8.0996  376.833   8.2122 -5.214874 11.53446 
1 1 1  -18    1   30 o  392.362   6.0122  416.267   12.746  425.069   18.113  407.634   17.938  396.472   8.4546  388.252   8.5503 8.220123 12.02447 
1 1 1  -18    1   31 o   66.453   14.850   11.741   5.9625   10.817   8.1524   12.805   8.7429   64.079   20.680   68.826   21.316 -4.746994 29.69911 
1 1 1  -18    1   32 o  159.508   11.548   68.864   9.9535   68.864   9.9535   0.0000   0.0000  159.508   11.548  ?   ?       ?      ? 
1 1 1  -18    1   33 o  1035.78   12.606  2910.56   70.540  2877.19   98.555  2945.61  101.007  1029.73   17.712  1041.84   17.942 -12.11316 25.21141 
1 1 1  -18    1   34 o  487.709   6.9177  642.822   18.213  628.365   25.099  658.902   26.470  481.933   9.6377  493.485   9.9264 -11.55161 13.83543 
1 1 1  -18    1   35 o  342.611   6.2200  317.563   11.514  316.564   16.167  318.592   16.404  342.067   8.7463  343.156   8.8463 -1.089020 12.44003 
1 1 1  -18    1   36 o  491.603   6.8590  653.926   18.218  662.248   26.037  645.944   25.500  494.663   9.7406  488.543   9.6594 6.120056 13.71797 
1 1 1  -18    1   37 o  727.448   9.2040  1430.71   36.100  1493.82   53.233  1376.99   49.120  742.205   13.273  712.690   12.755 29.51532 18.40801 
1 1 1  -18    1   38 o  418.297   6.2784  473.695   14.191  472.860   20.012  474.539   20.127  417.928   8.8613  418.665   8.8966 -0.7377014 12.55671 
1 1 1  -18    1   39 o  149.333   12.944   62.591   9.4189   94.437   13.908   35.608   12.802  186.470   13.802  112.197   21.901 74.27368 25.88782 
1 1 1  -18    1   42 o  194.590   6.5198  102.726   6.8363   92.974   9.5794  112.846   9.7591  185.147   9.5749  204.033   8.8516 -18.88571 13.03955 
1 1 1  -18    1   43 o  132.940   8.0822   48.080   5.7980   51.087   8.2149   45.094   8.1845  137.110   11.088  128.770   11.762 8.339157 16.16437 
1 1 1  -18    1   44 o  460.566   6.5176  575.835   16.220  578.009   22.996  573.683   22.882  461.430   9.2228  459.703   9.2116 1.727386 13.03511 
1 1 1  -18    1   45 o  234.034   5.7957  148.617   7.3291  149.132   10.426  148.114   10.305  234.431   8.2304  233.638   8.1621 0.7930450 11.59137 
1 1 1  -18    1   46 o  450.295   6.4653  550.916   15.731  552.589   22.240  549.240   22.255  450.984   9.1261  449.606   9.1604 1.377960 12.93052 
1 1 1  -18    1   47 o  355.378   5.8970  343.086   11.324  340.315   15.912  345.929   16.119  353.929   8.3197  356.827   8.3596 -2.897949 11.79407 
1 1 1  -18    1   48 o  242.747   5.8006  160.230   7.6010  159.510   10.987  160.892   10.527  242.188   8.3950  243.306   8.0070 -1.118011 11.60117 
1 1 1  -18    1   49 o  147.517   7.3340   59.321   5.8300   65.747   8.4273   53.423   8.0737  155.213   10.048  139.822   10.686 15.39162 14.66794 
1 1 1  -18    1   50 o  349.455   5.9061  332.515   11.152  335.842   15.848  329.250   15.697  351.187   8.3511  347.723   8.3539 3.464478 11.81224 
1 1 1  -18    1   51 o  125.920   8.3057   43.695   5.6180   37.889   7.8626   49.752   8.0303  117.227   12.412  134.613   11.040 -17.38560 16.61136 
1 1 1  -18    1   52 o  393.520   6.0869  422.839   12.943  425.689   18.393  420.044   18.217  394.827   8.6208  392.213   8.5955 2.614441 12.17378 
1 1 1  -18    1   53 o  258.650   5.7671  181.876   8.0419  167.755   10.969  198.290   11.825  247.831   8.1905  269.469   8.1212 -21.63799 11.53424 
1 1 1  -18    1   54 f  282.310   5.6445  217.876   8.6101  217.687   12.247  218.061   12.107  282.168   8.0324  282.451   7.9324 -0.2831726 11.28904 
1 1 1  -18    1   55 o   87.895   11.749   23.056   5.3631   15.358   7.6565   30.471   7.5146   71.464   19.351  104.326   13.330 -32.86196 23.49760 
1 1 1  -18    1   56 o  190.932   6.3369  100.409   6.5247  103.174   9.0264   97.383   9.4423  193.816   8.6186  188.048   9.2922 5.767227 12.67382 
1 1 1  -18    1   57 o  172.468   6.9215   82.404   6.4194   72.784   9.0246   92.257   9.1333  162.045   10.306  182.892   9.2415 -20.84671 13.84295 
1 1 1  -18    1   58 o   42.837   13.051  -0.0787   5.6003  -3.4884   7.8110   3.5284   8.0338   38.053   17.316   47.620   19.531 -9.567230 26.10184 
1 1 1  -18    1   59 o   40.449   12.608  -1.0678   5.4379   1.2590   7.5441  -3.5843   7.8454   43.014   18.362   37.883   17.283 5.131283 25.21642 
1 1 1  -18    1   60 o  170.785   7.0766   81.223   6.5189   87.422   9.2816   75.189   9.1580  177.379   9.6835  164.192   10.322 13.18668 14.15316 
1 1 1  -18    1   61 o  185.039   7.1208   95.966   7.1015   88.608   10.072  103.240   10.014  177.704   10.489  192.374   9.6335 -14.67078 14.24159 
1 1 1  -18    1   62 o   51.268   13.043   2.9202   5.7215  -8.1775   7.8193   15.709   8.3940   33.123   15.787   69.412   20.766 -36.28939 26.08515 
1 1 1  -18    1   63 o  181.533   7.2213   92.620   7.0651   84.653   9.6300  101.906   10.397  173.055   10.298  190.012   10.126 -16.95699 14.44265 
1 1 1  -18    1   65 o   62.428   14.146   12.361   6.1748   3.2053   8.4353   22.932   9.0634   44.602   19.235   80.255   20.747 -35.65265 28.29163 
1 1 1  -18    2    1 o  688.139   8.4830  1281.63   31.539  1293.59   45.077  1270.15   44.143  691.276   12.067  685.001   11.926 6.275391 16.96590 
1 1 1  -18    2    2 o  477.341   6.1957  616.213   15.980  618.789   22.779  613.717   22.422  478.321   8.8131  476.362   8.7107 1.958862 12.39139 
1 1 1  -18    2    3 o  1073.52   12.905  3127.40   74.861  3132.51  106.095  3122.33  105.646  1074.39   18.275  1072.65   18.227 1.734985 25.81021 
1 1 1  -18    2    4 o  602.571   7.5459  982.393   24.568  988.674   35.038  976.318   34.457  604.460   10.727  600.681   10.616 3.779602 15.09185 
1 1 1  -18    2    5 o  758.467   9.2850  1556.05   38.022  1517.77   52.469  1598.39   55.174  748.674   12.970  768.260   13.290 -19.58588 18.56999 
1 1 1  -18    2    6 o  323.393   4.7186  282.646   8.2446  276.986   11.545  288.536   11.778  320.091   6.6747  326.696   6.6716 -6.605804 9.437262 
1 1 1  -18    2    7 o  552.857   7.0105  826.880   20.943  825.944   29.628  827.815   29.609  552.543   9.9233  553.170   9.9054 -0.6269531 14.02098 
1 1 1  -18    2    8 o  800.610   11.951  1745.87   49.127  1763.12   60.829  1713.51   83.307  806.794   13.953  794.425   19.406 12.36932 23.90150 
1 1 1  -18    2    9 o  403.381   7.7434  440.286   16.878  436.712   23.771  443.919   23.968  401.730   10.950  405.031   10.951 -3.301331 15.48672 
1 1 1  -18    2   11 o  940.184   22.804  2403.15  115.852   0.0000   0.0000  2403.15  115.852  ?   ?   940.184   22.804      ?      ? 
1 1 1  -18    2   12 o  407.977   7.8663  450.328   17.342  448.649   24.456  452.027   24.594  407.212   11.114  408.741   11.135 -1.529205 15.73257 
1 1 1  -18    2   13 o  626.709   7.8428  1062.49   26.558  1070.31   37.848  1054.91   37.275  628.977   11.136  624.441   11.047 4.535339 15.68555 
1 1 1  -18    2   14 o  272.444   4.4881  200.538   6.6054  204.309   9.4837  196.985   9.2054  274.930   6.3836  269.959   6.3104 4.971375 8.976182 
1 1 1  -18    2   15 o  458.336   6.0816  567.998   15.062  565.468   21.237  570.558   21.365  457.309   8.5941  459.362   8.6072 -2.053101 12.16315 
1 1 1  -18    2   16 o  650.552   8.1199  1144.96   28.544  1146.72   40.470  1143.23   40.265  651.046   11.504  650.058   11.463 0.9877319 16.23971 
1 1 1  -18    2   17 o   67.294   8.5392   12.884   2.9543   17.024   4.1377   8.5786   4.2195   79.344   9.6506   55.244   14.090 24.10033 17.07839 
1 1 1  -18    2   18 o  538.747   6.9313  784.860   20.178  781.740   28.467  788.010   28.606  537.671   9.7981  539.823   9.8065 -2.151428 13.86253 
1 1 1  -18    2   19 o  515.588   6.7061  718.666   18.681  724.888   26.675  712.677   26.171  517.776   9.5339  513.401   9.4336 4.375305 13.41225 
1 1 1  -18    2   20 o  645.210   8.0924  1125.44   28.205  1107.73   39.299  1144.25   40.505  639.983   11.364  650.438   11.524 -10.45508 16.18477 
1 1 1  -18    2   21 o  795.122   9.7630  1710.59   41.946  1701.06   59.006  1720.34   59.639  792.884   13.772  797.360   13.842 -4.475281 19.52591 
1 1 1  -18    2   22 o  713.402   8.8620  1376.85   34.163  1377.35   48.353  1376.35   48.274  713.531   12.541  713.273   12.525 0.2582397 17.72404 
1 1 1  -18    2   23 o  498.571   6.6544  672.111   17.928  674.038   25.398  670.197   25.310  499.283   9.4137  497.859   9.4080 1.424194 13.30889 
1 1 1  -18    2   24 o  364.524   5.5855  359.257   10.999  361.351   15.399  357.075   15.716  365.612   7.7943  363.437   8.0023 2.174957 11.17091 
1 1 1  -18    2   25 o  334.636   5.4419  302.391   9.8350  315.411   14.166  290.275   13.665  341.583   7.6746  327.689   7.7174 13.89468 10.88387 
1 1 1  -18    2   26 o  572.773   7.4278  886.984   22.983  876.105   32.042  898.513   32.984  569.162   10.418  576.385   10.590 -7.223328 14.85566 
1 1 1  -18    2   27 f  908.320   11.085  2232.93   54.378  2190.09   75.406  2279.34   78.492  899.272   15.518  917.369   15.834 -18.09680 22.17011 
1 1 1  -18    2   28 f  469.840   6.4855  596.967   16.465  596.146   23.185  597.803   23.387  469.516   9.1382  470.164   9.2054 -0.6486816 12.97101 
1 1 1  -18    2   29 o  355.497   5.7067  341.725   10.962  341.353   15.590  342.089   15.416  355.304   8.1199  355.691   8.0208 -0.3864136 11.41343 
1 1 1  -18    2   30 o   97.100   13.549   25.530   7.1091   25.530   7.1091   0.0000   0.0000   97.100   13.549  ?   ?       ?      ? 
1 1 1  -18    2   31 o  260.729   8.2901  183.822   11.680  183.822   11.680   0.0000   0.0000  260.729   8.2901  ?   ?       ?      ? 
1 1 1  -18    2   32 o  563.508   7.5412  858.512   22.952  883.868   33.086  834.993   31.866  571.518   10.714  555.499   10.616 16.01862 15.08234 
1 1 1  -18    2   33 f  981.608   11.993  2613.59   63.616  2610.39   89.767  2616.82   90.166  981.010   16.934  982.206   16.988 -1.195557 23.98669 
1 1 1  -18    2   34 o  854.786   10.582  1980.50   48.873  1967.35   68.661  1994.01   69.581  851.919   14.915  857.653   15.014 -5.733459 21.16300 
1 1 1  -18    2   35 o  251.398   6.2139  170.944   8.4378  169.403   11.741  172.591   12.135  250.230   8.6829  252.565   8.8914 -2.335083 12.42778 
1 1 1  -18    2   36 o  269.008   6.1039  195.987   8.8633  202.137   12.386  189.533   12.689  273.348   8.3854  264.668   8.8722 8.679626 12.20784 
1 1 1  -18    2   37 o  603.019   7.8989  985.095   25.737  982.016   36.148  988.261   36.651  602.072   11.111  603.966   11.230 -1.893860 15.79784 
1 1 1  -18    2   38 o  339.927   5.9392  312.610   10.905  317.862   15.702  307.717   15.156  342.677   8.4797  337.176   8.3183 5.500763 11.87848 
1 1 1  -18    2   39 o  178.233   10.225   86.344   9.8348   80.766   13.818   92.072   14.001  172.370   14.835  184.096   14.074 -11.72575 20.44921 
1 1 1  -18    2   42 o  122.545   8.6473   40.808   5.7205   43.395   8.1941   38.349   7.9899  126.345   12.002  118.744   12.452 7.601082 17.29458 
1 1 1  -18    2   43 o  291.293   5.6413  229.818   8.8757  225.625   12.329  234.330   12.788  288.544   7.9072  294.042   8.0483 -5.497681 11.28269 
1 1 1  -18    2   44 o  212.398   6.0362  122.418   6.9175  122.003   10.053  122.792   9.5337  212.031   8.7738  212.765   8.2923 -0.7345886 12.07237 
1 1 1  -18    2   45 o  312.629   5.6257  265.069   9.4974  252.016   13.313  278.596   13.553  304.773   8.0838  320.484   7.8259 -15.71143 11.25135 
1 1 1  -18    2   46 o  411.220   6.1571  458.996   13.677  469.028   19.653  449.573   19.046  415.564   8.7519  406.876   8.6628 8.688416 12.31421 
1 1 1  -18    2   47 o  411.797   6.1651  461.006   13.718  460.780   19.329  461.234   19.474  411.705   8.6882  411.890   8.7493 -0.1848755 12.33027 
1 1 1  -18    2   48 o  153.982   7.2384   64.848   6.0050   59.638   8.5412   69.939   8.4443  147.783   10.696  160.180   9.7559 -12.39728 14.47671 
1 1 1  -18    2   49 o  135.818   7.9397   50.374   5.8179   46.584   8.0501   54.517   8.4176  130.452   11.420  141.184   11.034 -10.73221 15.87931 
1 1 1  -18    2   50 o  190.169   6.1964   98.350   6.3589  102.774   9.2932   94.456   8.7199  194.163   8.8575  186.175   8.6676 7.988052 12.39288 
1 1 1  -18    2   51 f  211.839   5.9090  122.348   6.7591  116.024   9.4715  128.911   9.6486  206.228   8.4993  217.450   8.2114 -11.22151 11.81804 
1 1 1  -18    2   52 o  112.359   8.9490   34.558   5.3819   41.940   8.0152   28.497   7.2626  123.303   12.030  101.416   13.253 21.88640 17.89809 
1 1 1  -18    2   53 o  159.596   7.1244   69.927   6.1402   73.527   8.7959   66.505   8.5754  163.633   9.9477  155.559   10.202 8.074158 14.24887 
1 1 1  -18    2   54 o  106.250   9.4154   31.506   5.4042   30.555   7.6143   32.471   7.6716  104.594   13.472  107.906   13.157 -3.311958 18.83076 
1 1 1  -18    2   55 o  173.723   6.6233   83.016   6.2172   82.440   8.7366   83.607   8.8492  173.121   9.3391  174.324   9.3942 -1.202927 13.24651 
1 1 1  -18    2   56 o  110.181   9.3937   34.610   5.4601   26.472   7.7605   42.588   7.6836   96.626   14.863  123.736   11.492 -27.10942 18.78741 
1 1 1  -18    2   57 o   96.476   11.598   27.349   5.8432   31.653   8.2324   22.979   8.2950  105.559   14.433   87.393   18.158 18.16586 23.19529 
1 1 1  -18    2   58 f  234.901   6.0779  152.079   7.7135  156.016   10.961  148.217   10.857  237.951   8.5247  231.852   8.6657 6.098785 12.15583 
1 1 1  -18    2   59 o   62.428   14.397   11.831   5.5803   11.591   7.9756   12.061   7.8104   61.955   20.483   62.901   20.236 -0.9461403 28.79308 
1 1 1  -18    2   60 o  162.708   7.4511   74.291   6.5048   64.658   9.2208   83.835   9.1778  151.789   11.242  173.626   9.7822 -21.83723 14.90210 
1 1 1  -18    2   61 f   60.423   14.497   10.858   5.7895   14.641   8.3166   7.3014   8.0645   67.750   20.758   53.095   20.244 14.65498 28.99492 
1 1 1  -18    2   62 o   74.122   13.859   18.007   5.8211   22.857   8.0421   12.669   8.4367   85.347   18.004   62.897   21.075 22.44995 27.71867 
1 1 1  -18    2   63 o   32.466   11.097 -11.5209   5.9783  -7.2915   8.3254 -16.0235   8.5901   34.985   16.563   29.947   14.772 5.037590 22.19299 
1 1 1  -18    2   64 o   46.806   19.795   3.1003   8.6282   3.1003   8.6282   0.0000   0.0000   46.806   19.795  ?   ?       ?      ? 
1 1 1  -18    2   65 o   46.327   13.924   3.9910   6.2132   0.4689   8.7852   7.5156   8.7883   41.804   18.753   50.850   20.588 -9.045574 27.84895 
1 1 1  -18    2   66 o   56.576   25.286   6.3221   15.815   6.3221   15.815   0.0000   0.0000   56.576   25.286  ?   ?       ?      ? 
1 1 1  -18    3    1 o  654.179   8.1166  1158.15   28.690  1148.83   40.321  1167.70   40.832  651.517   11.453  656.841   11.504 -5.323853 16.23310 
1 1 1  -18    3    2 o  690.568   8.5195  1290.91   31.791  1288.79   44.952  1293.04   44.967  689.999   12.056  691.136   12.041 -1.137024 17.03894 
1 1 1  -18    3    3 o  464.582   6.0760  583.721   15.253  581.221   21.567  586.224   21.576  463.586   8.6094  465.579   8.5762 -1.992645 12.15208 
1 1 1  -18    3    4 o  120.384   4.2271   39.020   2.7443   42.013   4.0312   36.434   3.7466  124.670   5.9839  116.098   5.9720 8.571785 8.454126 
1 1 1  -18    3    5 o  536.463   6.8387  778.220   19.820  765.633   27.656  791.510   28.418  532.008   9.6201  540.917   9.7224 -8.908569 13.67738 
1 1 1  -18    3    6 o  437.409   5.8186  517.357   13.752  519.603   19.598  515.178   19.301  438.342   8.2737  436.476   8.1835 1.866241 11.63718 
1 1 1  -18    3    7 o  603.136   10.699  985.466   34.863  971.847   48.707  999.775   49.923  598.873   15.051  607.398   15.210 -8.525146 21.39822 
1 1 1  -18    3    8 o  655.151   11.527  1163.56   40.807  1156.76   57.452  1170.49   57.971  653.220   16.276  657.081   16.327 -3.860779 23.05393 
1 1 1  -18    3    9 o  224.916   5.8394  135.897   7.0673  146.464   10.605  127.455   9.4790  232.726   8.4327  217.107   8.0798 15.61914 11.67880 
1 1 1  -18    3   10 o  483.954   12.633  634.009   33.037   0.0000   0.0000  634.009   33.037  ?   ?   483.954   12.633      ?      ? 
1 1 1  -18    3   11 o  1278.19   21.767  4461.57  150.341  4443.69  211.766  4479.73  213.473  1275.64   30.722  1280.74   30.846 -5.107056 43.53465 
1 1 1  -18    3   12 o  1075.75   18.361  3148.75  106.709  3189.19  152.901  3110.36  148.993  1082.43   26.141  1069.07   25.791 13.35608 36.72239 
1 1 1  -18    3   13 o   89.533   5.7410   21.558   2.7679   24.245   4.0697   19.246   3.7756   94.697   7.9531   84.370   8.2816 10.32748 11.48201 
1 1 1  -18    3   14 o  277.970   4.5401  208.851   6.8194  206.879   9.6306  210.834   9.6576  276.653   6.4421  279.286   6.3993 -2.632751 9.080271 
1 1 1  -18    3   15 o  344.250   5.0457  320.346   9.3853  320.940   13.360  319.766   13.188  344.564   7.1753  343.935   7.0958 0.6289673 10.09138 
1 1 1  -18    3   16 o  523.522   6.7763  740.400   19.154  759.441   27.769  723.118   26.455  529.931   9.6973  517.114   9.4676 12.81714 13.55260 
1 1 1  -18    3   17 o   68.183   7.8178   12.577   2.8799   12.764   4.0601   12.387   4.0857   68.695   10.938   67.671   11.173 1.024361 15.63564 
1 1 1  -18    3   18 o  589.739   7.4848  940.425   23.849  949.227   34.071  931.971   33.393  592.440   10.643  587.037   10.527 5.403381 14.96955 
1 1 1  -18    3   19 o  758.769   9.3382  1557.61   38.286  1566.46   54.488  1548.99   53.807  760.893   13.252  756.645   13.160 4.248657 18.67649 
1 1 1  -18    3   20 o  108.494   6.3834   31.848   3.7238   27.819   5.1977   36.096   5.3375  101.435   9.4828  115.552   8.5481 -14.11691 12.76685 
1 1 1  -18    3   21 o  522.115   6.8123  735.797   19.197  712.355   26.373  762.212   27.996  513.291   9.5084  530.939   9.7580 -17.64862 13.62453 
1 1 1  -18    3   22 o  951.334   11.541  2450.37   59.324  2427.90   83.112  2473.70   84.702  946.900   16.243  955.768   16.400 -8.868225 23.08287 
1 1 1  -18    3   23 f  444.324   6.1440  533.517   14.746  525.563   20.517  542.015   21.208  440.903   8.6114  447.746   8.7656 -6.842621 12.28792 
1 1 1  -18    3   24 o  507.169   6.7608  693.974   18.499  669.596   25.307  721.946   27.108  497.632   9.4111  516.706   9.7090 -19.07382 13.52159 
1 1 1  -18    3   25 o  221.202   5.3882  131.650   6.4211  124.654   8.6790  140.112   9.5442  214.741   7.4794  227.663   7.7582 -12.92186 10.77641 
1 1 1  -18    3   26 o  553.022   7.2488  826.750   21.654  814.243   30.145  840.087   31.127  548.707   10.167  557.338   10.335 -8.631165 14.49769 
1 1 1  -18    3   27 o  622.486   7.9438  1048.26   26.720  1046.22   37.699  1050.31   37.879  621.880   11.218  623.092   11.250 -1.211304 15.88762 
1 1 1  -18    3   28 o  355.058   5.6215  340.156   10.771  327.820   14.777  354.142   15.734  348.207   7.8532  361.910   8.0457 -13.70343 11.24303 
1 1 1  -18    3   29 o  308.600   5.5167  257.600   9.1847  259.385   12.659  255.616   13.347  309.736   7.5634  307.464   8.0332 2.272003 11.03346 
1 1 1  -18    3   30 o  361.750   5.9184  352.281   11.536  333.930   15.608  374.375   17.126  351.418   8.2193  372.081   8.5179 -20.66235 11.83685 
1 1 1  -18    3   31 o  891.420   10.948  2153.34   52.736  2150.28   74.431  2156.44   74.731  890.785   15.463  892.054   15.503 -1.268799 21.89636 
1 1 1  -18    3   32 o  676.788   8.6718  1239.28   31.696  1216.88   43.957  1263.53   45.747  670.437   12.134  683.138   12.393 -12.70074 17.34358 
1 1 1  -18    3   34 o  682.765   8.7305  1262.39   32.207  1253.84   45.145  1271.25   45.961  680.420   12.278  685.111   12.415 -4.690735 17.46102 
1 1 1  -18    3   35 o  695.062   8.8488  1308.41   33.221  1289.75   46.205  1328.37   47.800  689.954   12.393  700.170   12.634 -10.21594 17.69758 
1 1 1  -18    3   36 o  397.076   6.1884  426.494   13.277  434.205   18.956  419.070   18.600  400.598   8.7571  393.555   8.7463 7.043060 12.37679 
1 1 1  -18    3   37 o  1144.07   13.890  3566.92   85.851  3523.59  119.886  3612.51  122.998  1137.01   19.513  1151.13   19.773 -14.12244 27.78009 
1 1 1  -18    3   38 o  575.161   7.6400  896.370   23.740  888.065   33.196  905.064   33.965  572.447   10.732  577.876   10.877 -5.428833 15.27990 
1 1 1  -18    3   39 o  671.478   17.349  1228.60   62.950  1228.60   62.950   0.0000   0.0000  671.478   17.349  ?   ?       ?      ? 
1 1 1  -18    3   41 o  164.270   15.458   73.581   13.722   73.581   13.722   0.0000   0.0000  164.270   15.458  ?   ?       ?      ? 
1 1 1  -18    3   42 o  215.116   6.1797  124.796   7.1640  134.877   10.612  116.354   9.7106  223.052   8.8046  207.180   8.6738 15.87148 12.35947 
1 1 1  -18    3   43 f  119.574   8.7306   38.836   5.6347   41.319   8.1837   36.598   7.7697  123.204   12.292  115.944   12.401 7.259842 17.46120 
1 1 1  -18    3   44 o  193.384   6.2873  101.672   6.5530  110.369   9.2841   93.037   9.2506  201.675   8.5192  185.092   9.2490 16.58257 12.57461 
1 1 1  -18    3   45 o  146.587   7.1063   58.379   5.6213   54.247   7.8312   62.771   8.0738  141.221   10.262  151.953   9.8328 -10.73270 14.21257 
1 1 1  -18    3   46 o  161.962   6.7866   71.211   5.9338   67.207   8.2121   75.585   8.5835  157.199   9.6676  166.725   9.5274 -9.526550 13.57323 
1 1 1  -18    3   47 o  212.680   5.8252  122.858   6.6904  124.332   9.6572  121.498   9.2775  213.888   8.3555  211.472   8.1188 2.416428 11.65031 
1 1 1  -18    3   48 o  283.896   5.6595  219.013   8.6805  222.579   12.422  215.610   12.135  286.147   8.0339  281.645   7.9733 4.501923 11.31892 
1 1 1  -18    3   49 o   70.887   12.876   14.546   4.9666   13.328   6.9696   15.803   7.0795   67.925   18.492   73.848   17.922 -5.923218 25.75164 
1 1 1  -18    3   50 o  179.209   6.3334   87.296   6.1226   93.778   8.9650   81.630   8.3816  185.423   8.9474  172.994   8.9662 12.42928 12.66685 
1 1 1  -18    3   51 o  121.264   8.4837   40.495   5.5581   41.261   7.9541   39.764   7.7697  122.378   12.028  120.150   11.967 2.228386 16.96745 
1 1 1  -18    3   52 o  112.419   9.1076   34.829   5.5127   36.709   8.2245   33.295   7.4284  115.089   13.225  109.748   12.526 5.340317 18.21524 
1 1 1  -18    3   53 o   90.959   11.816   25.129   5.4850   15.371   8.0429   33.613   7.4994   71.859   19.986  110.059   12.610 -38.19976 23.63185 
1 1 1  -18    3   54 o   49.639   13.495   5.1395   5.1408   3.4470   7.3914   6.7254   7.1547   46.880   18.916   52.398   19.253 -5.518364 26.99078 
1 1 1  -18    3   55 o  359.247   5.9486  353.229   11.532  367.006   16.853  341.100   15.814  365.748   8.5274  352.747   8.2963 13.00101 11.89724 
1 1 1  -18    3   56 o  259.858   5.7846  185.199   8.1214  185.439   11.392  184.950   11.581  260.064   8.1065  259.651   8.2541 0.4127197 11.56914 
1 1 1  -18    3   57 o  259.681   5.7596  184.989   8.0756  175.344   11.211  195.390   11.642  252.620   8.2130  266.742   8.0771 -14.12187 11.51920 
1 1 1  -18    3   58 o  145.457   7.6965   59.064   6.0444   61.921   8.5655   56.230   8.5308  149.068   10.634  141.846   11.130 7.222107 15.39295 
1 1 1  -18    3   59 o  119.107   9.6542   40.361   6.0272   54.045   8.8864   28.704   8.2021  138.542   11.870   99.671   15.229 38.87039 19.30845 
1 1 1  -18    3   60 f  116.410   10.566   40.631   6.1699   28.331   8.8604   52.211   8.5968   96.693   17.607  136.128   11.687 -39.43482 21.13232 
1 1 1  -18    3   61 o   82.143   13.570   21.121   6.0206   28.098   8.7994   14.980   8.2554   95.787   17.651   68.500   20.616 27.28637 27.14019 
1 1 1  -18    3   62 o  123.913   9.6419   44.884   6.4161   50.189   9.0702   39.570   9.0773  131.846   12.731  115.979   14.484 15.86711 19.28377 
1 1 1  -18    3   63 o   37.645   12.210  -4.7012   5.8229 -10.0613   8.3150   0.4568   8.1568   32.908   15.841   42.382   18.586 -9.474472 24.42042 
1 1 1  -18    3   64 o   85.928   14.302   24.409   6.5827   28.396   9.0831   20.000   9.5533   94.855   18.385   77.000   21.912 17.85522 28.60321 
1 1 1  -18    3   65 o  185.163   9.4747  107.671   8.9567   85.968   14.086  122.399   11.605  164.959   15.803  205.367   10.457 -40.40811 18.94948 
1 1 1  -18    3   66 o   39.710   19.619 -21.9685   15.368 -21.9685   15.368   0.0000   0.0000   39.710   19.619  ?   ?       ?      ? 
1 1 1  -18    4    1 o  298.742   6.3507  241.255   10.252   0.0000   0.0000  241.255   10.252  ?   ?   298.742   6.3507      ?      ? 
1 1 1  -18    4    2 f  607.296   7.6156  997.953   24.991  996.296   35.375  999.604   35.311  606.791   10.789  607.800   10.751 -1.009521 15.23111 
1 1 1  -18    4    3 o  476.146   8.7692  613.152   22.562   0.0000   0.0000  613.152   22.562  ?   ?   476.146   8.7692      ?      ? 
1 1 1  -18    4    4 o  705.479   8.7050  1346.98   33.179  1329.60   46.401  1365.16   47.462  700.830   12.253  710.128   12.369 -9.297668 17.41006 
1 1 1  -18    4    5 o  406.031   6.7269  448.584   14.094  455.035   17.569  436.937   23.606  410.222   7.9256  401.839   10.871 8.382904 13.45375 
1 1 1  -18    4    6 o  371.720   7.3090  373.695   14.679  365.991   20.527  381.757   20.998  367.801   10.328  375.639   10.345 -7.837555 14.61807 
1 1 1  -18    4    7 o  422.224   8.0119  482.421   18.279  483.559   25.980  481.306   25.722  422.715   11.374  421.734   11.287 0.9805298 16.02374 
1 1 1  -18    4    8 o  817.700   14.133  1814.75   62.436  1792.57   87.225  1838.06   89.411  812.601   19.864  822.800   20.110 -10.19891 28.26657 
1 1 1  -18    4    9 o  543.421   9.8150  798.760   28.821   0.0000   0.0000  798.760   28.821  ?   ?   543.421   9.8150      ?      ? 
1 1 1  -18    4   10 o  963.957   16.540  2525.63   86.147  2506.76  120.982  2545.04  122.697  960.323   23.314  967.591   23.467 -7.267944 33.07916 
1 1 1  -18    4   11 o  305.601   6.6810  252.565   11.032  248.423   15.555  256.757   15.648  303.079   9.4981  308.124   9.3983 -5.044586 13.36198 
1 1 1  -18    4   12 o  800.813   12.008  1737.44   48.998  1736.45   60.021  1739.41   84.836  800.875   13.869  800.752   19.606 0.1232300 24.01580 
1 1 1  -18    4   13 o  381.716   5.3612  393.878   11.057  395.757   15.777  392.065   15.501  382.609   7.6308  380.823   7.5325 1.786102 10.72233 
1 1 1  -18    4   14 o  451.761   6.0317  551.748   14.723  545.425   20.679  558.248   20.968  449.137   8.5204  454.385   8.5398 -5.248169 12.06341 
1 1 1  -18    4   15 o  609.252   7.6883  1004.05   25.311  1001.66   35.788  1006.44   35.803  608.525   10.884  609.979   10.862 -1.454346 15.37655 
1 1 1  -18    4   16 o  511.015   6.6519  706.134   18.368  703.811   26.016  708.443   25.937  510.176   9.4370  511.854   9.3774 -1.678497 13.30386 
1 1 1  -18    4   17 o  287.664   4.7290  223.409   7.3447  229.594   10.657  217.813   10.137  291.451   6.7665  283.877   6.6082 7.573608 9.458011 
1 1 1  -18    4   18 o  115.448   5.6164   36.021   3.5033   36.660   5.0008   35.404   4.9094  116.454   7.9468  114.443   7.9388 2.011375 11.23285 
1 1 1  -18    4   19 o  787.117   9.6695  1676.25   41.125  1685.71   58.560  1667.06   57.767  789.301   13.730  784.932   13.619 4.369507 19.33904 
1 1 1  -18    4   20 o  744.928   9.2112  1500.92   37.070  1517.67   53.091  1484.98   51.784  748.976   13.118  740.880   12.935 8.095886 18.42249 
1 1 1  -18    4   21 o  355.691   5.3687  341.701   10.313  350.171   14.895  333.902   14.293  359.920   7.6586  351.463   7.5259 8.457550 10.73746 
1 1 1  -18    4   22 o  216.351   5.2055  126.701   6.0651  128.818   8.2831  124.255   8.9054  218.307   7.0216  214.396   7.6868 3.910507 10.41106 
1 1 1  -18    4   23 o  586.791   7.5380  931.220   23.901  929.079   33.712  933.383   33.892  586.114   10.644  587.468   10.677 -1.354309 15.07602 
1 1 1  -18    4   24 o  880.469   10.745  2097.19   51.092  2055.51   70.772  2142.55   73.835  871.361   15.030  889.578   15.360 -18.21759 21.49054 
1 1 1  -18    4   25 o  238.798   5.1655  154.071   6.6613  152.211   9.2340  156.089   9.6186  237.297   7.2013  240.298   7.4075 -3.000778 10.33104 
1 1 1  -18    4   26 f  416.528   5.9990  469.035   13.502  476.055   19.194  462.158   18.996  419.613   8.4648  413.442   8.5030 6.171082 11.99807 
1 1 1  -18    4   27 o  479.345   6.5678  621.262   17.009  615.729   23.792  627.046   24.325  477.165   9.2274  481.525   9.3487 -4.359375 13.13559 
1 1 1  -18    4   28 o  470.013   6.5010  597.414   16.509  594.717   23.121  600.218   23.580  468.934   9.1243  471.091   9.2629 -2.156952 13.00210 
1 1 1  -18    4   29 o  176.002   6.5220   83.792   6.2012   86.055   8.7761   81.536   8.7635  178.378   9.1048  173.627   9.3406 4.751083 13.04394 
1 1 1  -18    4   30 o  181.414   6.9673   86.779   6.6229   60.777   8.6989  122.635   10.215  149.880   10.741  212.949   8.8773 -63.06894 13.93452 
1 1 1  -18    4   31 f  218.911   6.5545  128.145   7.7064  116.068   10.239  143.927   11.705  207.152   9.1468  230.670   9.3904 -23.51823 13.10894 
1 1 1  -18    4   32 o  786.336   9.8226  1674.64   41.728  1656.30   58.299  1693.90   59.753  781.938   13.798  790.735   13.984 -8.797913 19.64513 
1 1 1  -18    4   33 o  179.429   7.4110   86.805   7.1684   82.769   9.7365   91.581   10.593  174.896   10.302  183.962   10.656 -9.065140 14.82199 
1 1 1  -18    4   34 f  547.146   7.3966  809.721   21.855  793.611   30.275  827.252   31.582  541.478   10.347  552.813   10.572 -11.33545 14.79322 
1 1 1  -18    4   35 o  512.066   7.0460  709.730   19.496  713.444   27.574  706.016   27.570  513.408   9.9392  510.724   9.9898 2.684326 14.09199 
1 1 1  -18    4   36 o  393.605   6.1822  419.107   13.146  432.158   18.740  406.463   18.445  399.641   8.6780  387.569   8.8073 12.07141 12.36434 
1 1 1  -18    4   37 o  505.749   6.9883  692.507   19.094  703.744   27.363  681.843   26.657  509.740   9.9339  501.758   9.8317 7.982025 13.97661 
1 1 1  -18    4   38 o  261.995   6.0018  185.823   8.4964  184.933   12.057  186.701   11.975  261.368   8.5370  262.621   8.4383 -1.252045 12.00351 
1 1 1  -18    4   41 o  166.635   8.5926   77.091   7.2115   70.856   12.475   80.221   8.8378  161.273   14.315  171.997   9.5090 -10.72362 17.18522 
1 1 1  -18    4   42 o  270.586   5.6423  198.092   8.2412  211.358   11.891  185.831   11.432  279.300   7.8788  261.871   8.0789 17.42816 11.28467 
1 1 1  -18    4   43 o   74.133   13.156   15.651   5.3816   20.593   7.6786   10.881   7.5447   85.158   17.277   63.108   19.844 22.05002 26.31110 
1 1 1  -18    4   44 o  179.978   6.3762   87.926   6.1997   89.852   8.8784   86.093   8.6611  181.899   9.0327  178.056   9.0018 3.842484 12.75234 
1 1 1  -18    4   45 o  134.145   7.5562   48.936   5.4709   49.796   7.9602   48.165   7.5315  135.242   10.892  133.047   10.476 2.194885 15.11247 
1 1 1  -18    4   46 o  248.698   5.6379  167.974   7.5729  163.005   10.756  172.858   10.664  245.027   8.1233  252.369   7.8201 -7.341568 11.27578 
1 1 1  -18    4   47 o   96.012   11.337   27.716   5.3937   38.409   7.4020   15.610   7.8759  118.537   11.556   73.488   19.508 45.04947 22.67370 
1 1 1  -18    4   48 o   78.571   12.584   17.894   5.2478   21.385   7.4378   14.433   7.4054   86.490   16.517   70.651   18.989 15.83895 25.16736 
1 1 1  -18    4   49 o   98.839   10.697   28.383   5.2473   16.948   7.3502   40.268   7.4936   76.429   18.080  121.250   11.437 -44.82104 21.39395 
1 1 1  -18    4   50 f  159.666   6.9162   69.801   5.9535   75.197   8.4205   64.408   8.4184  165.918   9.3920  153.413   10.155 12.50514 13.83230 
1 1 1  -18    4   51 o  195.079   6.1692  104.131   6.4885   98.850   9.3277  109.081   9.0316  190.193   9.0760  199.964   8.3584 -9.771057 12.33838 
1 1 1  -18    4   52 o   94.959   10.818   25.905   5.2312   35.027   7.5673   17.557   7.2396  112.550   12.443   77.368   17.700 35.18168 21.63597 
1 1 1  -18    4   53 o   74.900   13.192   16.797   5.3858   13.179   7.7268   20.217   7.5112   66.842   19.907   82.958   17.315 -16.11538 26.38360 
1 1 1  -18    4   54 o  321.622   5.8083  283.038   10.088  269.546   14.163  296.934   14.373  313.773   8.3529  329.471   8.0732 -15.69797 11.61667 
1 1 1  -18    4   55 o  176.078   6.6821   85.996   6.3106   76.939   9.1333   94.270   8.7294  166.894   10.127  185.263   8.7199 -18.36870 13.36421 
1 1 1  -18    4   56 o  157.068   7.2789   68.451   6.1359   66.571   9.1510   69.987   8.2707  154.865   10.935  159.272   9.6098 -4.407410 14.55776 
1 1 1  -18    4   57 f  175.186   6.8360   84.985   6.4308   73.231   8.9681   97.427   9.2265  162.465   10.215  187.907   9.0867 -25.44205 13.67198 
1 1 1  -18    4   58 o   83.744   12.323   20.871   5.5313   29.443   8.1300   13.484   7.5473  101.268   14.857   66.220   19.663 35.04860 24.64504 
1 1 1  -18    4   59 o  336.343   6.0165  312.254   10.933  311.816   15.613  312.675   15.314  336.036   8.5981  336.649   8.4183 -0.6130371 12.03307 
1 1 1  -18    4   60 o  111.669   10.040   35.893   6.0487   38.634   8.6652   33.288   8.4473  116.006   13.823  107.332   14.565 8.673668 20.08003 
1 1 1  -18    4   61 o  163.340   7.6351   75.039   6.7355   78.349   9.6016   71.832   9.4510  166.978   10.641  159.702   10.952 7.276779 15.27012 
1 1 1  -18    4   62 o  170.604   7.8105   83.038   7.1833   87.874   10.058   78.005   10.262  176.048   10.573  165.159   11.499 10.88911 15.62101 
1 1 1  -18    4   63 o   72.678   15.187   17.598   6.3799   17.754   9.0328   17.443   9.0124   72.994   21.469   72.362   21.487 0.6320496 30.37481 
1 1 1  -18    4   64 o  121.171   10.345   43.556   6.7603   46.585   9.5830   40.555   9.5380  125.749   14.103  116.594   15.139 9.154572 20.69009 
1 1 1  -18    4   65 o   62.022   17.464   14.339   9.1684   7.7365   13.490   20.007   12.499   54.553   23.913   69.492   25.460 -14.93966 34.92882 
1 1 1  -18    5    1 o  967.141   16.517  2535.54   86.319   0.0000   0.0000  2535.54   86.319  ?   ?   967.141   16.517      ?      ? 
1 1 1  -18    5    2 o  393.692   5.4398  418.669   11.562  427.803   16.784  410.421   15.949  397.770   7.8087  389.614   7.5757 8.156128 10.87963 
1 1 1  -18    5    3 o  601.254   9.2508  978.221   28.403  977.114   34.862  980.405   48.982  600.952   10.736  601.556   15.068 -0.6037598 18.50169 
1 1 1  -18    5    4 o  692.442   12.116  1298.94   45.308  1269.82   62.765  1330.63   65.472  684.367   16.972  700.516   17.296 -16.14868 24.23251 
1 1 1  -18    5    5 o  693.127   12.132  1302.48   45.436  1292.79   63.884  1312.39   64.634  690.525   17.121  695.728   17.192 -5.203247 24.26302 
1 1 1  -18    5    6 o  613.924   10.893  1020.95   36.131  1009.46   50.629  1032.88   51.578  610.409   15.349  617.438   15.459 -7.029175 21.78510 
1 1 1  -18    5    7 o  1126.73   16.554  3470.11   95.848  3389.64  162.001  3513.45  118.889  1115.52   26.875  1137.94   19.335 -22.42383 33.10754 
1 1 1  -18    5    8 o  779.613   9.5597  1645.46   40.272  1648.31   57.143  1642.66   56.765  780.278   13.553  778.948   13.486 1.330627 19.11942 
1 1 1  -18    5    9 o  800.671   12.013  1738.84   49.006  1733.33   84.770  1741.60   60.058  799.302   19.627  802.040   13.858 -2.738037 24.02572 
1 1 1  -18    5   10 o  193.334   6.1848  101.187   6.4529   98.131   9.2754  104.054   8.9832  190.497   9.0107  196.171   8.4744 -5.674896 12.36962 
1 1 1  -18    5   11 o  622.887   11.090  1048.50   37.266  1010.59   50.950  1092.12   54.649  610.831   15.436  634.943   15.928 -24.11157 22.18025 
1 1 1  -18    5   12 f  352.827   5.1422  336.525   9.8029  336.503   13.962  336.545   13.767  352.814   7.3235  352.839   7.2204 -0.2465820E-01 10.28440 
1 1 1  -18    5   13 o  795.623   9.7492  1713.56   41.914  1709.35   59.229  1717.79   59.323  794.643   13.793  796.604   13.781 -1.960999 19.49833 
1 1 1  -18    5   14 o  806.000   9.8685  1758.43   42.980  1748.81   60.507  1768.23   61.062  803.777   13.931  808.222   13.981 -4.445190 19.73707 
1 1 1  -18    5   15 o  534.124   6.9066  771.409   19.933  764.101   28.028  778.887   28.354  531.565   9.7577  536.683   9.7772 -5.117676 13.81328 
1 1 1  -18    5   16 o  497.914   6.5437  670.326   17.606  671.067   25.009  669.597   24.789  498.186   9.2898  497.643   9.2185 0.5432434 13.08749 
1 1 1  -18    5   17 o  396.647   5.5889  424.827   11.967  435.358   17.386  415.344   16.498  401.310   8.0172  391.983   7.7890 9.327240 11.17783 
1 1 1  -18    5   18 o  611.705   7.7454  1011.91   25.602  1006.70   36.132  1017.16   36.281  610.124   10.959  613.286   10.948 -3.162048 15.49072 
1 1 1  -18    5   19 o  861.175   10.515  2007.07   48.927  2017.34   69.657  1997.06   68.740  863.344   14.931  859.005   14.809 4.338379 21.02961 
1 1 1  -18    5   20 o  156.330   5.5372   66.489   4.6443   58.338   6.6458   74.269   6.4930  146.900   8.3722  165.760   7.2489 -18.86012 11.07432 
1 1 1  -18    5   21 o  911.369   11.096  2244.36   54.558  2172.59   74.687  2326.47   79.888  895.811   15.429  926.926   15.950 -31.11548 22.19116 
1 1 1  -18    5   22 o  475.129   6.4450  609.730   16.533  595.921   22.814  625.003   23.992  469.474   8.9927  480.784   9.2348 -11.30981 12.88997 
1 1 1  -18    5   23 o  395.239   5.7762  421.727   12.317  412.613   16.872  432.126   18.022  390.679   7.9920  399.800   8.3420 -9.121063 11.55250 
1 1 1  -18    5   24 f  447.288   6.1899  540.700   14.957  532.068   20.859  549.835   21.458  443.617   8.7018  450.959   8.8056 -7.342102 12.37982 
1 1 1  -18    5   25 o  116.720   8.0440   38.040   4.9075   43.727   6.5118   30.565   7.4661  127.163   9.4766  106.276   13.001 20.88681 16.08809 
1 1 1  -18    5   26 o  1217.06   14.636  4019.63   96.257  4018.52  136.202  4020.74  136.055  1216.88   20.713  1217.23   20.685 -0.3437500 29.27289 
1 1 1  -18    5   27 o  388.854   5.8451  408.107   12.263  396.047   16.799  421.868   17.944  382.719   8.1228  394.988   8.4071 -12.26877 11.69018 
1 1 1  -18    5   28 o  739.074   9.2277  1477.71   36.831  1446.95   51.027  1511.17   53.215  731.065   12.917  747.082   13.182 -16.01721 18.45548 
1 1 1  -18    5   29 o  392.950   5.9969  417.419   12.732  426.435   18.185  408.750   17.831  397.112   8.4743  388.789   8.4875 8.322449 11.99382 
1 1 1  -18    5   31 o  634.820   8.2014  1089.09   28.100  1057.09   38.616  1125.10   40.967  624.942   11.435  644.699   11.760 -19.75696 16.40270 
1 1 1  -18    5   32 o  391.419   6.2600  412.312   13.187  392.684   17.720  436.676   19.743  381.042   8.6062  401.796   9.0931 -20.75378 12.51999 
1 1 1  -18    5   33 o  336.791   6.0481  306.678   11.001  303.189   15.267  310.445   15.864  334.805   8.4389  338.777   8.6660 -3.972321 12.09610 
1 1 1  -18    5   34 f  713.552   9.0419  1377.60   34.821  1339.78   47.838  1420.20   50.782  703.185   12.590  723.918   12.982 -20.73218 18.08388 
1 1 1  -18    5   35 o  474.496   6.7664  608.759   17.333  597.042   23.909  621.738   25.164  469.701   9.4201  479.292   9.7160 -9.591003 13.53284 
1 1 1  -18    5   36 o  589.473   7.7711  941.328   24.753  940.271   34.991  942.386   35.022  589.142   10.991  589.804   10.989 -0.6624146 15.54217 
1 1 1  -18    5   37 o  550.191   7.3909  819.526   21.961  839.156   31.720  801.454   30.434  556.499   10.548  543.882   10.356 12.61658 14.78185 
1 1 1  -18    5   38 o  658.659   12.067  1181.51   42.946  1193.24   61.102  1170.05   60.375  661.886   17.084  655.432   17.047 6.454163 24.13387 
1 1 1  -18    5   41 o   97.852   11.724   27.241   5.8745   35.636   8.3085   18.849   8.3070  114.410   13.439   81.294   19.214 33.11604 23.44775 
1 1 1  -18    5   42 o   50.979   13.530   5.0041   5.0731   7.5165   7.6151   2.9993   6.8024   56.121   19.963   45.837   18.267 10.28408 27.05941 
1 1 1  -18    5   43 o  325.311   5.7396  286.989   10.087  286.657   14.412  287.308   14.124  325.113   8.2035  325.508   8.0297 -0.3943176 11.47925 
1 1 1  -18    5   44 o  110.678   9.2251   33.369   5.4959   37.687   7.9823   29.477   7.5783  117.511   12.571  103.845   13.505 13.66603 18.45019 
1 1 1  -18    5   45 o  180.314   6.5892   88.456   6.4125   84.422   9.1348   92.374   9.0039  176.226   9.5927  184.402   9.0360 -8.175827 13.17838 
1 1 1  -18    5   46 o  108.007   9.5158   31.963   5.5533   31.455   7.8018   32.485   7.9063  107.135   13.476  108.879   13.438 -1.744003 19.03157 
1 1 1  -18    5   47 o   88.825   11.182   21.961   5.2348   25.239   7.7769   19.245   7.0785   95.662   15.045   81.988   16.548 13.67466 22.36434 
1 1 1  -18    5   48 o  116.937   8.6837   37.285   5.4497   39.253   8.2836   35.784   7.2363  119.564   12.821  114.310   11.715 5.254799 17.36736 
1 1 1  -18    5   49 o   49.903   13.277   4.2794   5.1655  -0.4133   7.2161   9.2110   7.3976   41.151   17.768   58.654   19.734 -17.50290 26.55485 
1 1 1  -18    5   50 o  223.972   5.9430  137.013   7.1780  132.230   10.370  141.413   9.9456  220.134   8.7179  227.809   8.0793 -7.674362 11.88598 
1 1 1  -18    5   51 o  233.881   5.8494  149.395   7.3836  142.365   10.509  156.248   10.376  228.374   8.5161  239.388   8.0210 -11.01421 11.69875 
1 1 1  -18    5   52 o  121.628   8.5341   41.400   5.5198   37.253   8.3118   44.671   7.3829  115.823   13.280  127.433   10.722 -11.61022 17.06821 
1 1 1  -18    5   53 o  232.559   5.9905  147.163   7.4845  155.934   11.326  140.363   9.9724  238.560   8.7858  226.558   8.1458 12.00223 11.98098 
1 1 1  -18    5   54 o  180.985   6.5560   89.863   6.3963   91.930   9.4200   88.094   8.7127  182.826   9.5351  179.144   9.0004 3.682190 13.11202 
1 1 1  -18    5   55 o  125.810   8.6073   43.935   5.8333   48.954   8.5853   39.630   7.9504  132.508   11.990  119.111   12.352 13.39680 17.21455 
1 1 1  -18    5   56 o  165.213   7.0853   75.486   6.3249   76.345   9.0145   74.652   8.8766  166.131   10.042  164.294   9.9985 1.836502 14.17054 
1 1 1  -18    5   57 o   92.492   11.763   25.025   5.7316   21.680   7.8593   28.826   8.3769   84.816   17.719  100.168   15.476 -15.35217 23.52641 
1 1 1  -18    5   58 o  169.646   7.1544   80.087   6.5584   79.597   9.2863   80.574   9.2636  169.107   10.162  170.186   10.073 -1.078278 14.30882 
1 1 1  -18    5   59 o  199.175   6.5461  110.004   7.0351  103.189   9.9405  116.842   9.9578  192.837   9.5396  205.513   8.9668 -12.67592 13.09226 
1 1 1  -18    5   60 o   98.094   11.647   28.674   6.0223   31.686   8.6695   25.865   8.3719  104.155   15.404   92.034   17.473 12.12092 23.29358 
1 1 1  -18    5   61 o  145.460   8.5264   60.418   6.6735   56.266   9.6367   64.244   9.2507  140.229   12.718  150.692   11.361 -10.46324 17.05283 
1 1 1  -18    5   62 f   56.472   14.960   9.2987   6.2176   11.901   9.0015   6.9243   8.5982   60.912   21.700   52.033   20.600 8.879051 29.92098 
1 1 1  -18    5   63 o  142.681   13.474   59.087   10.389   59.087   10.389   0.0000   0.0000  142.681   13.474  ?   ?       ?      ? 
1 1 1  -18    5   64 o   32.816   16.493 -31.4865   13.017 -31.4865   13.017   0.0000   0.0000   32.816   16.493  ?   ?       ?      ? 
1 1 1  -18    5   65 o  180.832   11.166  102.052   10.856   95.541   15.715  107.995   15.014  173.839   16.729  187.825   14.793 -13.98564 22.33174 
1 1 1  -18    6    1 o  231.442   5.8030  144.550   7.2445  149.302   10.629  140.428   9.9000  234.983   8.3711  227.900   8.0390 7.083405 11.60609 
1 1 1  -18    6    2 o  277.385   6.2506  207.921   9.3599  211.149   13.581  205.000   12.918  279.430   8.9941  275.339   8.6824 4.090240 12.50112 
1 1 1  -18    6    3 o  567.082   10.166  870.756   31.149  875.450   44.425  866.216   43.687  568.578   14.460  565.586   14.295 2.992004 20.33250 
1 1 1  -18    6    4 o  682.167   11.965  1260.29   44.080  1234.01   61.138  1288.74   63.613  674.785   16.767  689.548   17.072 -14.76263 23.92911 
1 1 1  -18    6    5 o  425.847   7.0734  490.481   15.354  490.540   26.564  490.451   18.815  425.790   11.545  425.904   8.1751 -0.1137390 14.14672 
1 1 1  -18    6    6 o  460.159   6.1580  572.364   15.309  560.536   21.416  584.725   21.893  455.299   8.7047  465.019   8.7127 -9.719788 12.31595 
1 1 1  -18    6    7 f  587.281   7.4487  932.914   23.638  926.290   33.309  939.635   33.550  585.181   10.534  589.381   10.534 -4.200195 14.89737 
1 1 1  -18    6    8 o  567.119   7.2377  869.798   22.176  876.468   31.698  863.403   31.037  569.245   10.305  564.994   10.166 4.250488 14.47535 
1 1 1  -18    6    9 o  274.602   6.5933  203.873   9.7750  204.955   14.138  202.883   13.529  275.294   9.5042  273.909   9.1408 1.385559 13.18652 
1 1 1  -18    6   10 o  102.948   8.4899   28.530   4.7078   30.495   7.0085   26.914   6.3551  106.159   12.217   99.737   11.792 6.422501 16.97984 
1 1 1  -18    6   11 o  832.265   12.520  1862.18   52.512  1835.86   63.453  1919.37   93.542  823.469   14.260  841.060   20.582 -17.59106 25.03947 
1 1 1  -18    6   12 o  213.480   4.4193  123.168   5.0919  123.396   7.3867  122.962   7.0287  213.666   6.3978  213.294   6.0983 0.3719788 8.838618 
1 1 1  -18    6   13 o   85.186   7.1142   20.049   3.2046   16.592   4.7613   22.912   4.3328   78.317   11.251   92.055   8.7103 -13.73814 14.22843 
1 1 1  -18    6   14 o  1035.41   12.495  2904.35   69.904  2881.95   98.167  2927.40   99.566  1031.37   17.614  1039.45   17.726 -8.083252 24.98953 
1 1 1  -18    6   15 o  668.179   8.3592  1207.66   30.181  1200.21   42.539  1215.20   42.828  666.107   11.818  670.251   11.825 -4.144287 16.71840 
1 1 1  -18    6   16 o  916.986   11.143  2275.66   55.201  2243.76   77.055  2309.28   79.117  910.398   15.663  923.573   15.853 -13.17529 22.28566 
1 1 1  -18    6   17 o  614.927   7.7975  1022.62   25.909  1022.65   36.806  1022.60   36.477  614.931   11.077  614.923   10.978 0.8728027E-02 15.59492 
1 1 1  -18    6   18 o  236.617   4.7202  151.348   6.0342  148.898   8.5629  153.764   8.5047  234.714   6.7514  238.519   6.5985 -3.805542 9.440434 
1 1 1  -18    6   19 o  412.222   5.7968  459.286   12.911  451.134   18.130  467.674   18.392  408.511   8.2129  415.933   8.1829 -7.421997 11.59360 
1 1 1  -18    6   20 o  612.786   7.7984  1015.21   25.816  998.304   36.016  1033.08   37.024  607.544   10.971  618.028   11.086 -10.48456 15.59681 
1 1 1  -18    6   21 o  562.698   7.2802  855.880   22.130  840.953   30.838  871.727   31.775  557.645   10.234  567.751   10.357 -10.10547 14.56040 
1 1 1  -18    6   22 o  221.406   5.0616  132.322   6.0500  128.482   8.3394  136.589   8.7906  218.020   7.0786  224.791   7.2368 -6.771576 10.12318 
1 1 1  -18    6   23 o  682.589   8.5627  1259.81   31.571  1236.67   43.912  1284.56   45.422  676.113   12.019  689.064   12.199 -12.95117 17.12538 
1 1 1  -18    6   24 o  216.089   5.2257  126.080   6.0983  120.823   8.4681  131.744   8.7896  211.415   7.4125  220.763   7.3681 -9.348465 10.45147 
1 1 1  -18    6   25 o  938.981   11.438  2388.17   58.032  2406.76   82.778  2370.20   81.378  942.563   16.252  935.399   16.100 7.163574 22.87673 
1 1 1  -18    6   26 o  620.173   7.9464  1040.11   26.620  1022.68   37.036  1058.74   38.288  614.808   11.148  625.539   11.327 -10.73132 15.89284 
1 1 1  -18    6   27 o  454.870   6.3859  558.007   15.667  534.914   21.378  584.803   23.028  444.739   8.8955  465.002   9.1645 -20.26361 12.77176 
1 1 1  -18    6   28 o  491.536   6.7671  652.574   17.956  633.773   24.734  673.526   26.110  484.067   9.4557  499.005   9.6833 -14.93759 13.53425 
1 1 1  -18    6   29 f  554.610   7.3695  831.552   22.075  814.311   30.629  850.186   31.843  548.639   10.331  560.581   10.512 -11.94232 14.73907 
1 1 1  -18    6   30 f  821.028   10.185  1826.16   45.184  1813.43   63.447  1839.25   64.364  818.134   14.351  823.921   14.457 -5.786987 20.37056 
1 1 1  -18    6   31 o  328.503   6.0906  290.029   10.771  271.394   14.485  313.075   16.109  316.780   8.4622  340.225   8.7620 -23.44492 12.18121 
1 1 1  -18    6   32 o  401.683   6.2702  436.250   13.607  426.251   19.022  446.728   19.473  396.972   8.8677  406.395   8.8672 -9.423218 12.54044 
1 1 1  -18    6   33 o  670.033   8.5941  1215.51   31.107  1194.18   43.356  1238.14   44.656  663.988   12.084  676.078   12.223 -12.09039 17.18813 
1 1 1  -18    6   34 o  248.713   6.1429  167.113   8.2461  162.590   11.337  172.195   12.016  245.149   8.5584  252.276   8.8144 -7.126877 12.28572 
1 1 1  -18    6   35 o  553.435   7.4290  829.190   22.214  819.479   31.104  839.300   31.736  550.133   10.463  556.737   10.549 -6.603516 14.85807 
1 1 1  -18    6   36 f  382.126   6.0895  395.221   12.574  391.347   17.700  399.167   17.865  380.236   8.6143  384.017   8.6094 -3.780609 12.17899 
1 1 1  -18    6   37 o  332.016   5.9069  298.341   10.596  301.422   15.134  295.379   14.841  333.694   8.3929  330.338   8.3141 3.355988 11.81380 
1 1 1  -18    6   40 o   79.822   16.992   17.827   8.0278   21.047   10.997   14.153   11.747   85.894   23.162   73.750   24.867 12.14448 33.98357 
1 1 1  -18    6   41 o  425.789   6.2953  491.213   14.473  500.079   20.953  483.123   20.015  429.439   9.0294  422.138   8.7745 7.300262 12.59057 
1 1 1  -18    6   42 o  153.221   7.3040   63.916   6.0312   61.338   8.7432   66.256   8.3306  150.231   10.770  156.211   9.8690 -5.979858 14.60800 
1 1 1  -18    6   43 o  312.580   5.6904  265.032   9.6101  264.973   13.704  265.090   13.481  312.535   8.1143  312.625   7.9799 -0.8984375E-01 11.38070 
1 1 1  -18    6   44 o   65.867   13.891   12.194   5.3253   11.322   7.7221   12.984   7.3536   64.095   20.063   67.639   19.217 -3.544090 27.78112 
1 1 1  -18    6   45 o  200.236   6.2243  108.931   6.7346  108.322   9.5366  109.537   9.5117  199.673   8.8387  200.799   8.7661 -1.125443 12.44858 
1 1 1  -18    6   46 o  225.795   5.8237  138.493   7.1025  140.171   10.222  136.925   9.8762  227.103   8.3293  224.488   8.1416 2.615768 11.64741 
1 1 1  -18    6   47 o  268.329   5.8044  195.919   8.4092  187.902   11.939  203.811   11.846  262.836   8.4064  273.822   8.0059 -10.98587 11.60871 
1 1 1  -18    6   48 o  150.120   7.2950   61.284   5.8924   64.338   8.8277   58.831   7.9132  153.425   10.648  146.814   9.9746 6.610580 14.59009 
1 1 1  -18    6   49 o   39.388   12.229  -1.9586   5.0695   0.9385   7.3840  -4.5416   6.9723   43.484   18.347   35.292   16.173 8.191868 24.45800 
1 1 1  -18    6   50 o   55.589   13.950   7.5311   5.4714   3.4167   8.0673   11.036   7.4454   48.770   19.733   62.407   19.724 -13.63620 27.90029 
1 1 1  -18    6   51 o  255.555   5.7187  178.099   7.8931  179.473   11.365  176.818   10.971  256.473   8.2003  254.637   7.9731 1.836060 11.43745 
1 1 1  -18    6   52 o  170.286   6.8088   79.628   6.2595   76.115   8.8831   83.094   8.8216  166.485   9.8742  174.088   9.3776 -7.602875 13.61761 
1 1 1  -18    6   53 o  102.597   11.264   31.611   5.7561   20.904   8.4291   40.967   7.8794   83.677   19.067  121.517   12.000 -37.83981 22.52849 
1 1 1  -18    6   54 f  138.452   7.8931   52.821   5.7882   68.307   8.5673   39.817   7.8510  157.340   10.077  119.564   12.152 37.77663 15.78616 
1 1 1  -18    6   55 o   56.978   13.916   8.9170   5.3176   6.1279   7.7937   11.346   7.2736   51.937   19.878   62.020   19.481 -10.08335 27.83203 
1 1 1  -18    6   56 o  138.304   8.1085   53.312   6.0484   57.916   8.6892   48.985   8.4243  144.210   11.151  132.398   11.775 11.81218 16.21695 
1 1 1  -18    6   57 o   87.178   12.729   23.020   5.7991   20.580   8.1607   25.509   8.2422   81.995   18.817   92.361   17.146 -10.36613 25.45715 
1 1 1  -18    6   58 o  186.276   6.8441   96.393   6.8873   94.947   9.8005   97.804   9.6807  184.825   9.8130  187.727   9.5432 -2.902161 13.68820 
1 1 1  -18    6   59 o   57.075   13.617   7.8585   5.8139  -1.3738   8.3564   16.520   8.0940   41.552   18.489   72.598   19.996 -31.04632 27.23382 
1 1 1  -18    6   60 o  168.936   7.4305   80.013   6.7751   81.736   9.8632   78.474   9.3224  170.538   10.703  167.333   10.310 3.204681 14.86106 
1 1 1  -18    6   61 o  196.904   6.9877  108.899   7.4282  105.532   10.610  112.136   10.403  193.726   10.135  200.083   9.6220 -6.356522 13.97532 
1 1 1  -18    6   62 o  174.796   7.5478   85.578   7.0850   98.355   10.724   75.682   9.4380  186.245   10.656  163.347   10.693 22.89807 15.09558 
1 1 1  -18    6   63 o  106.724   11.583   34.015   6.6669   36.691   9.7864   31.698   9.1070  110.632   16.370  102.815   16.392 7.816940 23.16636 
1 1 1  -18    6   64 o  126.374   14.845   55.976   9.6029   48.739   14.490   61.644   12.823  113.987   24.270  138.760   17.102 -24.77354 29.68962 
1 1 1  -18    6   65 o   99.571   16.396   33.873   9.2352   55.608   14.673   19.615   11.884  127.812   21.246   71.331   24.979 56.48038 32.79207 
1 1 1  -18    6   66 o  168.073   12.768   93.870   11.553   84.730   15.642  104.842   17.138  158.828   18.226  177.318   17.886 -18.48923 25.53609 
1 1 1  -18    7    1 o  375.158   7.4300  380.619   15.060  372.522   21.140  388.964   21.461  371.106   10.542  379.210   10.473 -8.103821 14.86000 
1 1 1  -18    7    2 o  124.467   6.0471   42.472   3.8206   40.158   6.5674   43.656   4.6972  121.852   9.9742  127.083   6.8401 -5.231148 12.09425 
1 1 1  -18    7    3 o  317.659   6.8849  272.769   11.818   0.0000   0.0000  272.769   11.818  ?   ?   317.659   6.8849      ?      ? 
1 1 1  -18    7    4 o  634.988   7.9889  1090.68   27.410  1077.67   38.467  1104.09   39.066  631.144   11.279  638.831   11.317 -7.687073 15.97778 
1 1 1  -18    7    5 o  266.928   4.5908  192.213   6.6087  198.319   9.7119  186.947   9.0187  270.866   6.6353  262.990   6.3462 7.875763 9.181598 
1 1 1  -18    7    6 o  375.266   5.3780  380.722   10.904  379.901   15.545  381.518   15.299  374.865   7.6740  375.666   7.5367 -0.8012085 10.75603 
1 1 1  -18    7    7 o  687.106   8.5656  1277.36   31.799  1284.88   45.370  1270.10   44.582  689.088   12.185  685.124   12.042 3.963806 17.13123 
1 1 1  -18    7    8 o  405.888   6.9948  452.198   14.604  423.198   24.360  468.468   18.246  395.512   11.398  416.263   8.1117 -20.75085 13.98970 
1 1 1  -18    7    9 o  761.651   13.315  1572.65   54.794  1584.01   78.223  1561.71   76.778  764.335   18.939  758.967   18.721 5.367981 26.63003 
1 1 1  -18    7   10 o  537.135   9.8609  780.958   28.619  781.757   40.731  780.180   40.221  537.400   14.026  536.869   13.864 0.5306396 19.72178 
1 1 1  -18    7   11 o  436.638   5.9628  515.406   14.066  517.686   20.104  513.219   19.688  437.581   8.5022  435.694   8.3625 1.887268 11.92558 
1 1 1  -18    7   12 o  171.579   4.7347   79.124   4.3686   83.935   6.5761   75.324   5.8445  176.218   6.9061  166.939   6.4789 9.279312 9.469451 
1 1 1  -18    7   13 o  388.655   5.5370  408.368   11.627  405.199   16.523  411.477   16.366  387.159   7.8977  390.151   7.7628 -2.991333 11.07405 
1 1 1  -18    7   14 o  251.317   4.6668  170.060   6.3157  178.164   9.4090  163.414   8.5205  256.744   6.7820  245.891   6.4126 10.85258 9.333614 
1 1 1  -18    7   15 o  188.817   4.7854   95.897   4.8679  102.263   7.2357   90.632   6.5796  194.514   6.8840  183.120   6.6493 11.39374 9.570877 
1 1 1  -18    7   16 o  312.430   5.0446  263.714   8.5087  266.564   12.332  261.124   11.755  314.038   7.2669  310.822   6.9990 3.216278 10.08930 
1 1 1  -18    7   17 o  146.686   5.4924   58.091   4.3469   59.411   6.3524   56.927   5.9612  148.251   7.9296  145.121   7.6017 3.129349 10.98477 
1 1 1  -18    7   18 o  510.387   6.7333  704.350   18.570  698.615   26.242  710.103   26.281  508.305   9.5540  512.469   9.4906 -4.164642 13.46660 
1 1 1  -18    7   19 o  683.224   8.5598  1262.47   31.597  1244.23   44.208  1281.52   45.177  678.183   12.063  688.264   12.147 -10.08142 17.11964 
1 1 1  -18    7   20 o  672.409   8.4449  1223.12   30.684  1220.98   43.460  1225.25   43.328  671.821   11.971  672.998   11.914 -1.176392 16.88986 
1 1 1  -18    7   21 o  545.423   7.1206  804.437   20.986  798.846   29.551  810.126   29.808  543.511   10.062  547.334   10.078 -3.823120 14.24125 
1 1 1  -18    7   22 o  268.681   5.0695  195.229   7.3565  190.787   10.489  199.528   10.320  265.670   7.3066  271.692   7.0294 -6.022278 10.13897 
1 1 1  -18    7   23 o  187.612   5.4688   95.272   5.5372   91.615   7.9265   98.758   7.7384  184.088   7.9683  191.137   7.4924 -7.048782 10.93756 
1 1 1  -18    7   24 o  613.252   7.8654  1017.36   26.064  1017.49   36.977  1017.24   36.744  613.288   11.158  613.215   11.089 0.7281494E-01 15.73079 
1 1 1  -18    7   25 o  991.275   12.045  2662.72   64.505  2629.17   90.120  2697.97   92.370  984.892   16.933  997.658   17.134 -12.76538 24.08983 
1 1 1  -18    7   26 o  148.026   6.6503   59.236   5.3177   58.182   7.4055   60.357   7.6409  146.668   9.3439  149.383   9.4657 -2.714706 13.30068 
1 1 1  -18    7   27 f  243.762   5.5706  160.695   7.3342  154.628   10.351  166.812   10.393  239.137   8.0105  248.387   7.7434 -9.249313 11.14129 
1 1 1  -18    7   28 o  446.887   6.4577  539.408   15.581  523.411   21.506  557.085   22.606  439.926   9.0466  453.848   9.2177 -13.92236 12.91540 
1 1 1  -18    7   29 o  607.208   7.9171  996.180   25.947  965.488   35.672  1030.67   37.812  597.305   11.052  617.111   11.339 -19.80627 15.83425 
1 1 1  -18    7   30 o  265.140   5.9510  190.123   8.5238  190.171   11.916  190.073   12.198  265.177   8.3157  265.103   8.5151 0.7476807E-01 11.90205 
1 1 1  -18    7   31 o  482.410   6.8174  629.553   17.771  625.263   25.015  633.924   25.251  480.752   9.6291  484.069   9.6535 -3.316559 13.63487 
1 1 1  -18    7   32 o  544.248   7.3673  801.446   21.661  789.211   30.230  814.357   31.055  539.986   10.360  548.511   10.477 -8.524292 14.73456 
1 1 1  -18    7   33 o  704.068   8.9414  1341.71   33.991  1307.30   46.943  1379.64   49.283  694.611   12.507  713.526   12.782 -18.91486 17.88288 
1 1 1  -18    7   34 o  284.915   5.9520  219.691   9.1576  210.054   12.929  229.393   12.973  278.634   8.5869  291.195   8.2446 -12.56009 11.90409 
1 1 1  -18    7   35 f  663.996   8.5432  1194.92   30.647  1178.74   42.823  1211.91   43.879  659.401   12.018  668.591   12.145 -9.189453 17.08632 
1 1 1  -18    7   36 o  210.837   6.4610  120.277   7.3565  126.310   10.549  114.565   10.265  215.985   9.0382  205.689   9.2352 10.29584 12.92195 
1 1 1  -18    7   37 o  356.495   12.240  344.820   23.578  344.820   23.578   0.0000   0.0000  356.495   12.240  ?   ?       ?      ? 
1 1 1  -18    7   39 o   43.431   20.618 -15.8401   13.074 -15.8401   13.074   0.0000   0.0000   43.431   20.618  ?   ?       ?      ? 
1 1 1  -18    7   40 o  152.386   7.5881   62.381   6.2133   69.792   9.4086   56.650   8.2743  160.318   10.861  144.455   10.600 15.86299 15.17614 
1 1 1  -18    7   41 o  220.508   6.0019  132.108   7.1261  128.055   10.436  135.650   9.7541  217.295   8.8877  223.721   8.0685 -6.425522 12.00388 
1 1 1  -18    7   42 o   66.988   13.465   12.768   5.3313   7.6102   7.9110   17.060   7.2161   56.690   20.328   77.287   17.664 -20.59632 26.93028 
1 1 1  -18    7   43 o  141.690   7.6552   55.025   5.8179   50.412   8.5214   59.053   7.9624  136.011   11.594  147.369   9.9989 -11.35834 15.31042 
1 1 1  -18    7   44 o  284.840   5.7715  220.032   8.8670  222.567   12.972  217.809   12.148  286.344   8.3836  283.335   7.9346 3.008148 11.54306 
1 1 1  -18    7   45 o  158.585   7.0878   68.956   6.0245   63.760   8.8905   73.367   8.1922  152.929   10.758  164.240   9.2307 -11.31108 14.17567 
1 1 1  -18    7   46 o  194.958   6.2949  103.339   6.5888  104.267   9.9157  102.604   8.8167  195.665   9.3782  194.251   8.3995 1.413956 12.58983 
1 1 1  -18    7   47 o   96.900   11.046   26.795   5.5164   20.541   7.8548   32.881   7.7489   84.403   17.783  109.397   13.108 -24.99388 22.09253 
1 1 1  -18    7   48 o  343.488   5.8906  321.203   10.930  311.715   15.425  330.774   15.492  338.359   8.4362  348.617   8.2236 -10.25745 11.78125 
1 1 1  -18    7   49 o   41.735   12.513  -0.5812   5.1326   3.9815   7.2474  -5.1722   7.2699   47.970   18.938   35.501   16.359 12.46929 25.02514 
1 1 1  -18    7   50 o  223.857   5.9460  136.924   7.1760  133.598   10.432  139.912   9.8864  221.188   8.7285  226.527   8.0766 -5.338455 11.89194 
1 1 1  -18    7   51 o   85.688   17.734   21.477   7.9406   21.477   7.9406   0.0000   0.0000   85.688   17.734  ?   ?       ?      ? 
1 1 1  -18    7   52 o   69.776   13.484   14.285   5.2479   17.185   7.7845   11.869   7.1053   75.901   19.019   63.651   19.120 12.24926 26.96790 
1 1 1  -18    7   53 o   85.829   11.825   21.438   5.2600   23.071   7.9391   20.161   7.0224   88.613   17.200   83.044   16.231 5.568649 23.64940 
1 1 1  -18    7   54 o  318.175   5.8319  277.621   10.020  277.155   14.427  278.055   13.927  317.830   8.4003  318.521   8.0918 -0.6909485 11.66371 
1 1 1  -18    7   55 o   97.282   10.792   26.940   5.6425   26.936   8.4170   26.942   7.6042   97.012   16.056   97.551   14.426 -0.5386276 21.58471 
1 1 1  -18    7   56 o   37.828   12.114  -3.0563   5.3102  -2.7927   7.8331  -3.2805   7.2234   38.942   17.567   36.715   16.685 2.227623 24.22834 
1 1 1  -18    7   57 o   36.980   11.965  -4.3337   5.4366  -1.4319   7.6439  -7.3042   7.7338   39.848   17.709   34.112   16.093 5.735485 23.92915 
1 1 1  -18    7   58 o  162.309   7.6478   73.777   6.6885   71.789   9.7480   75.547   9.1943  160.002   11.275  164.616   10.336 -4.614563 15.29551 
1 1 1  -18    7   59 o  297.508   6.0537  244.432   9.7162  252.266   14.233  237.594   13.297  301.828   8.7265  293.187   8.3928 8.641205 12.10748 
1 1 1  -18    7   60 o  203.569   6.8176  115.570   7.4943  117.483   10.834  113.815   10.377  205.092   9.7762  202.046   9.5051 3.046265 13.63528 
1 1 1  -18    7   61 o  135.879   9.4932   55.280   6.7366   43.666   10.052   64.748   9.0764  121.006   15.373  150.752   11.142 -29.74632 18.98644 
1 1 1  -18    7   62 o   73.207   14.776   17.345   6.4167   24.623   9.3923   10.974   8.7870   86.861   20.364   59.554   21.416 27.30707 29.55278 
1 1 1  -18    7   63 o  114.378   13.708   41.432   7.7578   41.644   13.293   41.322   9.5536  110.808   22.955  117.947   14.990 -7.138824 27.41541 
1 1 1  -18    7   64 o  133.752   13.541   60.329   9.7849   60.788   13.982   59.887   13.698  134.033   19.306  133.470   18.992 0.5635529 27.08173 
1 1 1  -18    7   65 o   52.434   16.332   3.4011   9.3927  -5.2410   13.322   11.944   13.245   44.877   21.156   59.992   24.888 -15.11441 32.66488 
1 1 1  -18    8    1 o  639.796   8.0718  1107.15   27.903  1091.69   39.114  1123.16   39.817  635.254   11.395  644.339   11.436 -9.085266 16.14352 
1 1 1  -18    8    2 o  222.087   4.6133  132.165   5.4986  142.880   8.3865  124.085   7.2823  229.911   6.7505  214.263   6.2898 15.64845 9.226605 
1 1 1  -18    8    3 o  506.628   6.6814  693.988   18.287  698.474   26.184  689.717   25.551  508.222   9.5343  505.034   9.3627 3.188202 13.36278 
1 1 1  -18    8    4 o  441.364   6.0353  526.727   14.393  524.124   20.470  529.272   20.240  440.283   8.6039  442.445   8.4658 -2.162170 12.07050 
1 1 1  -18    8    5 o  413.086   5.7650  461.221   12.862  464.763   18.518  457.920   17.878  414.614   8.2653  411.558   8.0391 3.056305 11.53000 
1 1 1  -18    8    6 o  808.336   9.9320  1768.49   43.377  1780.80   61.928  1756.64   60.777  811.087   14.130  805.585   13.962 5.501953 19.86407 
1 1 1  -18    8    7 o  219.074   6.0887  134.738   6.5842  117.117   11.632  143.045   7.9868  208.096   10.345  230.051   6.4248 -21.95465 12.17750 
1 1 1  -18    8    8 o  459.141   8.8333  570.391   21.913  569.820   31.224  570.946   30.761  458.909   12.591  459.373   12.392 -0.4636230 17.66660 
1 1 1  -18    8    9 o  610.823   11.030  1010.07   36.399  1017.79   52.085  1002.70   50.888  613.094   15.722  608.552   15.475 4.541260 22.06004 
1 1 1  -18    8   10 o  776.226   9.5767  1630.41   40.167  1637.49   57.179  1623.51   56.437  777.886   13.603  774.567   13.484 3.319031 19.15348 
1 1 1  -18    8   11 o  302.819   4.9600  247.623   8.1011  251.559   11.864  244.185   11.089  305.069   7.1967  300.571   6.8274 4.497955 9.920012 
1 1 1  -18    8   12 o  551.785   7.1724  821.813   21.364  791.228   29.406  856.000   31.089  540.936   10.060  562.634   10.226 -21.69818 14.34480 
1 1 1  -18    8   13 o  542.816   7.0779  796.717   20.760  790.407   29.335  803.049   29.384  540.662   10.041  544.971   9.9783 -4.308899 14.15576 
1 1 1  -18    8   14 o  449.162   6.1819  545.436   15.003  539.295   21.236  551.556   21.200  446.636   8.7990  451.688   8.6856 -5.052246 12.36376 
1 1 1  -18    8   15 o  406.461   5.7882  446.345   12.703  452.983   18.385  440.280   17.573  409.348   8.3115  403.575   8.0581 5.773712 11.57645 
1 1 1  -18    8   16 o  631.352   8.0118  1077.23   27.312  1099.15   39.564  1057.28   37.749  637.472   11.486  625.232   11.173 12.23987 16.02367 
1 1 1  -18    8   17 o  376.327   5.5471  382.829   11.277  383.316   16.147  382.366   15.757  376.558   7.9355  376.096   7.7531 0.4624939 11.09429 
1 1 1  -18    8   18 o  639.275   8.0905  1104.67   27.936  1080.14   38.822  1131.00   40.231  631.926   11.369  646.624   11.514 -14.69769 16.18091 
1 1 1  -18    8   19 o  618.093   7.8782  1033.32   26.312  1025.59   37.143  1041.10   37.280  615.772   11.163  620.415   11.120 -4.643311 15.75633 
1 1 1  -18    8   20 o  1031.97   12.490  2885.11   69.647  2867.40   97.971  2903.20   99.029  1028.77   17.624  1035.16   17.704 -6.388428 24.98031 
1 1 1  -18    8   21 o  203.160   5.3461  111.656   5.8588  103.597   8.2530  119.843   8.3186  195.761   7.8018  210.559   7.3112 -14.79781 10.69214 
1 1 1  -18    8   22 o  603.366   7.7743  984.695   25.347  976.268   35.730  993.233   35.962  600.766   11.006  605.965   10.983 -5.198853 15.54854 
1 1 1  -18    8   23 o  340.956   5.5492  314.302   10.219  302.304   14.391  326.507   14.515  334.388   7.9644  347.523   7.7293 -13.13507 11.09838 
1 1 1  -18    8   24 o  1113.33   13.452  3359.25   80.868  3281.26  111.735  3445.04  117.189  1099.83   18.801  1126.83   19.246 -27.00586 26.90496 
1 1 1  -18    8   25 o  541.097   7.1999  792.051   21.051  792.026   29.896  792.075   29.647  541.085   10.225  541.108   10.139 -0.2264404E-01 14.39978 
1 1 1  -18    8   26 o  581.814   10.788  915.865   33.917  915.865   33.917   0.0000   0.0000  581.814   10.788  ?   ?       ?      ? 
1 1 1  -18    8   28 o  481.613   6.7748  627.397   17.630  619.777   24.816  635.163   25.052  478.659   9.5943  484.566   9.5677 -5.906525 13.54962 
1 1 1  -18    8   29 o  628.529   8.1539  1069.32   27.693  1067.80   39.235  1070.82   39.094  628.082   11.560  628.976   11.502 -0.8931885 16.30778 
1 1 1  -18    8   30 o  377.560   6.1515  385.062   12.542  369.348   17.387  402.112   18.110  369.539   8.7071  385.582   8.6919 -16.04303 12.30300 
1 1 1  -18    8   31 o  136.322   9.0081   50.379   6.6297   48.079   9.3984   52.656   9.3535  133.215   13.056  139.430   12.414 -6.215027 18.01615 
1 1 1  -18    8   32 o  1006.92   12.304  2754.32   66.947  2743.18   94.369  2765.61   94.990  1004.87   17.379  1008.96   17.423 -4.087585 24.60871 
1 1 1  -18    8   33 f  114.794   11.096   37.634   6.3896   25.805   9.2398   48.475   8.8455   95.827   18.514  133.761   12.238 -37.93419 22.19298 
1 1 1  -18    8   34 o  597.449   7.8863  967.072   25.460  964.180   35.939  969.986   36.073  596.553   11.149  598.345   11.157 -1.792114 15.77254 
1 1 1  -18    8   35 o  275.007   5.9230  204.691   8.7802  204.964   12.879  204.454   12.001  275.160   8.6620  274.853   8.0806 0.3076782 11.84593 
1 1 1  -18    8   36 o  519.966   8.7195  742.632   23.593  698.423   38.380  769.484   29.912  507.057   14.007  532.874   10.388 -25.81717 17.43906 
1 1 1  -18    8   39 o  109.614   12.530   30.078   6.9068   45.450   12.360   23.098   8.3286  128.863   17.750   90.366   17.689 38.49684 25.05945 
1 1 1  -18    8   40 o  156.487   7.4944   66.328   6.3268   69.534   9.2798   63.544   8.6485  160.001   10.733  152.973   10.463 7.027679 14.98885 
1 1 1  -18    8   41 o  393.158   6.1132  419.208   12.983  421.909   18.639  416.662   18.094  394.370   8.7462  391.946   8.5432 2.423737 12.22630 
1 1 1  -18    8   42 o  131.112   8.7848   47.638   6.0541   34.877   8.5204   60.650   8.6037  112.929   13.963  149.295   10.665 -36.36517 17.56964 
1 1 1  -18    8   43 o   94.519   11.413   25.060   5.6614   22.127   8.0831   27.884   7.9319   88.136   17.588  100.902   14.547 -12.76653 22.82501 
1 1 1  -18    8   44 o   66.552   13.777   12.671   5.3527   9.6105   8.1020   15.042   7.1305   60.750   20.652   72.355   18.242 -11.60472 27.55473 
1 1 1  -18    8   45 o  341.423   5.8602  316.955   10.804  313.043   15.526  320.626   15.042  339.336   8.4674  343.511   8.1038 -4.174164 11.72040 
1 1 1  -18    8   46 o   98.292   10.789   27.430   5.4949   24.237   8.2249   30.004   7.3848   92.053   17.167  104.531   13.074 -12.47829 21.57824 
1 1 1  -18    8   47 f  228.104   6.0920  140.780   7.4792  151.360   11.204  132.276   10.045  235.750   8.7949  220.457   8.4321 15.29245 12.18405 
1 1 1  -18    8   48 o  162.897   7.0252   72.626   6.1648   71.349   9.0349   73.738   8.4329  161.473   10.355  164.320   9.4973 -2.846344 14.05049 
1 1 1  -18    8   49 o  114.041   9.3051   36.391   5.6479   29.787   8.0829   42.691   7.8951  103.540   14.447  124.541   11.732 -21.00035 18.61018 
1 1 1  -18    8   50 o  150.613   7.1915   62.015   5.8304   64.450   8.6979   60.028   7.8570  153.214   10.506  148.013   9.8236 5.201569 14.38310 
1 1 1  -18    8   51 o  223.072   5.8707  134.079   7.0245  153.240   10.747  119.788   9.2815  236.759   8.4005  209.384   8.2033 27.37477 11.74147 
1 1 1  -18    8   52 o   45.396   13.084   1.4437   5.2675   6.7519   7.8776  -2.8491   7.0842   53.594   20.105   37.198   16.750 16.39567 26.16807 
1 1 1  -18    8   53 o  185.194   6.5069   93.595   6.4810  101.405   9.7613   87.438   8.6671  191.979   9.4094  178.408   8.9902 13.57103 13.01388 
1 1 1  -18    8   54 o   35.404   11.671  -6.3756   5.4500  -4.4943   8.0495  -7.9680   7.4056   37.946   17.385   32.863   15.576 5.082958 23.34221 
1 1 1  -18    8   55 o  102.377   11.133   30.550   5.8767   23.289   8.1736   38.321   8.4555   88.200   17.764  116.554   13.425 -28.35358 22.26652 
1 1 1  -18    8   56 o  195.462   6.6684  105.502   7.0124  107.844   10.463  103.593   9.4485  197.236   9.8170  193.689   9.0275 3.546738 13.33678 
1 1 1  -18    8   57 o  214.009   6.4257  126.897   7.4223  123.367   10.655  130.226   10.345  210.966   9.3468  217.051   8.8203 -6.085754 12.85146 
1 1 1  -18    8   58 o  111.418   11.156   38.195   6.1324   26.307   9.1753   47.793   8.2442   92.491   18.994  130.345   11.705 -37.85434 22.31104 
1 1 1  -18    8   59 o  316.605   6.0730  277.811   10.379  276.859   15.001  278.685   14.377  315.899   8.7876  317.311   8.3846 -1.411926 12.14596 
1 1 1  -18    8   60 o   87.342   13.627   24.022   6.2449   26.205   9.2533   22.196   8.4629   90.967   19.416   83.716   19.126 7.251602 27.25412 
1 1 1  -18    8   61 o   89.564   13.717   26.156   6.4445   23.237   9.4030   28.742   8.8500   83.505   20.891   95.623   17.782 -12.11855 27.43379 
1 1 1  -18    8   62 o  187.113   7.5673   99.176   7.6272   96.379   11.131  101.651   10.472  184.241   11.180  189.985   10.201 -5.744522 15.13451 
1 1 1  -18    8   63 o   94.233   16.812   30.799   9.2071   52.568   14.493   16.068   11.922  122.326   22.763   66.140   24.748 56.18595 33.62453 
1 1 1  -18    8   64 f  114.294   16.190   46.588   9.5202   48.018   14.830   45.586   12.417  113.123   24.932  115.464   20.659 -2.340973 32.37903 
1 1 1  -18    8   65 o  162.635   10.612   81.321   8.9547   77.830   11.152   87.658   15.025  160.758   12.837  164.513   16.902 -3.754669 21.22416 
1 1 1  -18    9    2 o  908.558   11.074  2234.81   54.361  2249.46   77.536  2220.65   76.235  911.476   15.742  905.641   15.578 5.835205 22.14720 
1 1 1  -18    9    3 o  426.244   5.9674  491.122   13.739  493.228   19.723  489.137   19.151  427.128   8.5451  425.359   8.3319 1.768829 11.93477 
1 1 1  -18    9    4 o  387.970   5.6172  406.869   11.771  407.962   16.911  405.841   16.394  388.472   8.0560  387.467   7.8302 1.005249 11.23436 
1 1 1  -18    9    5 o  493.589   6.5869  658.730   17.568  652.392   24.813  665.101   24.877  491.207   9.3483  495.971   9.2822 -4.764191 13.17387 
1 1 1  -18    9    6 f  510.892   8.3451  709.675   21.712  695.045   37.431  717.094   26.655  506.801   13.668  514.982   9.5784 -8.180664 16.69029 
1 1 1  -18    9    7 o  1245.42   21.236  4221.80  142.912  4229.73  202.654  4213.96  201.567  1246.56   30.085  1244.27   29.979 2.292847 42.47189 
1 1 1  -18    9    8 o  751.612   13.236  1530.12   53.747  1505.41   75.095  1556.08   76.957  745.400   18.644  757.825   18.793 -12.42517 26.47196 
1 1 1  -18    9    9 o  308.556   7.1027  257.336   11.843   0.0000   0.0000  257.336   11.843  ?   ?   308.556   7.1027      ?      ? 
1 1 1  -18    9   10 f  744.328   9.2405  1498.87   37.166  1498.22   52.666  1499.52   52.456  744.164   13.097  744.492   13.039 -0.3273926 18.48107 
1 1 1  -18    9   11 o  705.458   8.8226  1345.81   33.622  1362.29   48.275  1330.29   46.853  709.643   12.589  701.274   12.364 8.368652 17.64528 
1 1 1  -18    9   12 o  666.057   8.3982  1199.93   30.225  1201.39   42.980  1198.49   42.512  666.455   11.934  665.658   11.819 0.7969360 16.79630 
1 1 1  -18    9   13 o  270.242   4.9784  196.174   7.2308  208.697   10.924  186.408   9.6467  277.867   7.2751  262.616   6.7978 15.25034 9.956792 
1 1 1  -18    9   14 o  478.074   9.1020  617.945   23.514   0.0000   0.0000  617.945   23.514  ?   ?   478.074   9.1020      ?      ? 
1 1 1  -18    9   15 f  149.832   5.7213   60.958   4.5872   58.616   6.9152   62.798   6.1300  147.244   8.6912  152.419   7.4428 -5.175400 11.44252 
1 1 1  -18    9   16 o  960.405   11.671  2498.03   60.569  2492.11   85.616  2503.96   85.700  959.265   16.517  961.545   16.494 -2.279541 23.34203 
1 1 1  -18    9   17 o  513.700   6.8383  713.569   18.978  713.379   27.107  713.751   26.580  513.629   9.7666  513.771   9.5740 -0.1422729 13.67658 
1 1 1  -18    9   18 o  1034.93   12.539  2901.55   70.113  2923.95  100.061  2879.95   98.273  1038.84   17.825  1031.02   17.639 7.815430 25.07731 
1 1 1  -18    9   19 o  321.007   5.3766  278.564   9.3182  278.327   13.458  278.782   12.915  320.872   7.7617  321.141   7.4423 -0.2687683 10.75319 
1 1 1  -18    9   20 o  588.501   7.6370  935.234   24.262  904.058   33.412  970.010   35.288  578.149   10.695  598.854   10.905 -20.70471 15.27403 
1 1 1  -18    9   21 o  948.687   11.574  2436.59   59.307  2390.27   82.394  2486.39   85.434  939.357   16.232  958.017   16.503 -18.65997 23.14821 
1 1 1  -18    9   22 o  405.513   5.9642  444.295   13.057  451.872   18.946  437.442   18.018  408.797   8.5768  402.228   8.2901 6.569427 11.92838 
1 1 1  -18    9   23 o  458.421   9.0597  568.333   22.442   0.0000   0.0000  568.333   22.442  ?   ?   458.421   9.0597      ?      ? 
1 1 1  -18    9   24 o  509.128   6.9245  701.176   19.050  696.606   26.954  705.738   26.928  507.468   9.8292  510.788   9.7561 -3.319885 13.84904 
1 1 1  -18    9   25 o  255.702   5.6566  176.916   7.8092  169.234   11.076  184.509   11.012  250.174   8.1934  261.229   7.8009 -11.05556 11.31312 
1 1 1  -18    9   26 o  599.347   7.8485  971.670   25.414  955.496   35.523  988.629   36.373  594.242   11.063  604.451   11.136 -10.20935 15.69704 
1 1 1  -18    9   27 o  155.367   7.6825   65.308   6.4049   55.428   8.8794   76.024   9.2478  143.105   11.483  167.628   10.209 -24.52266 15.36498 
1 1 1  -18    9   28 o  504.687   7.0339  688.952   19.180  677.299   26.881  701.038   27.376  500.341   9.9423  509.033   9.9527 -8.692017 14.06785 
1 1 1  -18    9   29 o  472.386   6.7955  603.301   17.341  587.311   24.162  620.287   24.902  465.936   9.5965  478.836   9.6241 -12.90005 13.59104 
1 1 1  -18    9   30 o  575.242   7.6604  895.640   23.810  883.584   33.465  907.999   33.884  571.321   10.840  579.162   10.827 -7.840759 15.32082 
1 1 1  -18    9   31 o  490.158   6.9288  649.793   18.340  662.522   26.510  638.109   25.398  494.748   9.9161  485.567   9.6799 9.180817 13.85750 
1 1 1  -18    9   32 o  265.590   6.0386  190.838   8.6626  190.842   12.433  190.833   12.076  265.588   8.6636  265.592   8.4143 -0.4150391E-02 12.07718 
1 1 1  -18    9   33 o  397.324   6.2587  427.147   13.434  413.405   18.843  441.350   19.157  390.822   8.9226  403.827   8.7791 -13.00446 12.51744 
1 1 1  -18    9   34 o  192.850   6.6784  100.526   6.9501  104.221   10.156   97.271   9.5319  196.171   9.5804  189.530   9.3071 6.640793 13.35685 
1 1 1  -18    9   35 o  228.969   6.4330  141.306   7.9407  153.681   11.695  130.721   10.816  238.227   9.0849  219.711   9.1104 18.51619 12.86603 
1 1 1  -18    9   38 o  176.039   10.116   84.730   9.5792   76.013   13.618   93.266   13.477  166.963   15.094  185.114   13.473 -18.15144 20.23265 
1 1 1  -18    9   39 o  331.061   5.9120  297.220   10.567  292.584   15.200  301.556   14.700  328.536   8.5619  333.586   8.1549 -5.049866 11.82404 
1 1 1  -18    9   40 o  226.389   6.0870  139.367   7.4215  133.418   10.803  144.686   10.213  221.760   9.0149  231.018   8.1815 -9.258148 12.17395 
1 1 1  -18    9   41 o  199.314   6.3994  108.238   6.8457  104.358   10.189  111.430   9.2428  195.983   9.6211  202.645   8.4407 -6.662354 12.79882 
1 1 1  -18    9   42 f  129.853   8.4159   45.807   5.8860   51.342   8.5829   40.894   8.0874  137.263   11.572  122.442   12.223 14.82027 16.83183 
1 1 1  -18    9   43 o  359.159   5.9698  350.346   11.583  345.157   16.498  355.390   16.265  356.509   8.5641  361.808   8.3192 -5.298279 11.93956 
1 1 1  -18    9   44 o  191.335   6.5179   99.116   6.6963  103.783   10.145   95.514   8.9138  195.247   9.6160  187.423   8.8014 7.824036 13.03576 
1 1 1  -18    9   45 o  367.801   6.0085  367.566   11.917  373.865   17.490  362.110   16.280  370.669   8.7322  364.933   8.2557 5.736633 12.01697 
1 1 1  -18    9   46 f  189.129   6.5180   96.975   6.6405  103.650   9.8808   91.477   8.9676  195.007   9.3768  183.252   9.0561 11.75522 13.03600 
1 1 1  -18    9   47 o  113.967   9.3267   35.487   5.7117   41.194   8.4749   30.739   7.7313  122.353   12.818  105.580   13.551 16.77355 18.65342 
1 1 1  -18    9   48 o   85.682   12.314   21.240   5.5787   18.299   8.1610   23.820   7.6434   78.885   19.303   92.479   15.295 -13.59402 24.62803 
1 1 1  -18    9   49 o  217.452   6.2112  128.804   7.2642  132.706   10.877  125.664   9.7596  220.320   9.1366  214.585   8.4167 5.734467 12.42250 
1 1 1  -18    9   50 o  171.441   7.0192   81.679   6.4145   69.315   9.3239   92.788   8.8384  158.703   10.872  184.179   8.8807 -25.47531 14.03838 
1 1 1  -18    9   51 o  133.038   8.2165   48.406   5.8648   54.033   8.9717   44.207   7.7500  139.632   11.891  126.443   11.343 13.18964 16.43303 
1 1 1  -18    9   52 o   43.673   13.052   1.2604   5.2151   1.8435   8.1853   0.8619   6.7662   46.145   19.385   41.201   17.483 4.943558 26.10471 
1 1 1  -18    9   53 o  141.118   8.0439   55.544   6.1091   51.259   8.7811   59.564   8.5047  135.609   11.983  146.627   10.734 -11.01845 16.08773 
1 1 1  -18    9   54 o  132.061   8.2198   48.705   5.8487   46.669   8.4809   50.552   8.0764  129.240   12.144  134.882   11.081 -5.641891 16.43961 
1 1 1  -18    9   55 o   45.422   13.152   1.6149   5.5473  -4.7291   8.1307   7.1396   7.5875   37.714   17.350   53.131   19.770 -15.41711 26.30343 
1 1 1  -18    9   56 o  195.108   6.6573  104.703   6.9832  112.724   10.539   98.424   9.3240  201.588   9.6747  188.628   9.1476 12.96010 13.31465 
1 1 1  -18    9   57 o  135.604   8.9327   51.883   6.5208   58.438   9.4834   46.005   8.9807  143.913   12.195  127.296   13.056 16.61749 17.86541 
1 1 1  -18    9   58 o   73.526   14.351   16.950   5.9414   20.696   8.7151   13.696   8.1212   80.948   20.033   66.105   20.556 14.84296 28.70257 
1 1 1  -18    9   59 o   76.340   14.476   18.844   6.1455   16.106   8.9761   21.259   8.4315   70.597   21.554   82.082   19.329 -11.48521 28.95116 
1 1 1  -18    9   60 o  153.818   8.3001   66.770   6.8462   78.820   10.384   57.503   9.1058  166.040   11.573  141.597   11.901 24.44275 16.60014 
1 1 1  -18    9   61 o   36.772   12.162  -6.4012   6.1475 -12.2657   9.5450  -2.2442   8.0362   34.521   16.704   39.022   17.681 -4.501526 24.32396 
1 1 1  -18    9   62 o  242.341   9.6152  171.770   12.547  159.775   17.990  183.131   17.507  233.163   14.279  251.520   12.881 -18.35663 19.23037 
1 1 1  -18    9   63 o   60.867   17.531   13.754   9.2854   9.0090   13.610   17.885   12.700   55.681   24.221   66.054   25.352 -10.37287 35.06284 
1 1 1  -18    9   64 o   40.507   13.445  -5.7496   7.3971  -9.1678   9.8615  -1.3523   11.185   36.303   17.417   44.710   20.487 -8.406540 26.89006 
1 1 1  -18    9   65 o   96.867   18.637   39.558   9.9543   44.842   15.146   35.541   13.207  101.801   27.066   91.932   25.626 9.868828 37.27316 
1 1 1  -18   10    1 o  508.476   9.5488  699.047   26.237   0.0000   0.0000  699.047   26.237  ?   ?   508.476   9.5488      ?      ? 
1 1 1  -18   10    2 f  826.536   10.176  1847.51   45.427  1810.34   63.070  1887.57   65.484  817.916   14.270  835.156   14.510 -17.24011 20.35163 
1 1 1  -18   10    3 o  436.324   8.5948  514.665   20.264   0.0000   0.0000  514.665   20.264  ?   ?   436.324   8.5948      ?      ? 
1 1 1  -18   10    4 o  1190.83   14.330  3840.72   92.157  3762.61  127.743  3925.49  133.079  1178.25   20.064  1203.41   20.465 -25.15625 28.65942 
1 1 1  -18   10    5 o  479.195   9.3193  621.262   24.130  612.162   34.085  630.405   34.165  475.673   13.261  482.717   13.098 -7.043823 18.63867 
1 1 1  -18   10    6 o  763.751   13.475  1580.23   55.608  1561.26   78.062  1599.78   79.235  759.101   19.031  768.401   19.083 -9.299927 26.95030 
1 1 1  -18   10    7 o  697.057   10.729  1316.17   38.254  1318.34   47.070  1311.94   65.654  698.107   12.478  696.006   17.457 2.100830 21.45761 
1 1 1  -18   10    8 o  166.080   5.5223   74.191   4.9337   78.290   7.4060   70.919   6.6153  170.182   8.0535  161.978   7.5580 8.204346 11.04455 
1 1 1  -18   10    9 o  820.133   10.104  1819.87   44.773  1797.36   62.680  1843.33   63.977  814.961   14.233  825.306   14.346 -10.34454 20.20859 
1 1 1  -18   10   10 o  584.880   7.5656  924.987   23.909  913.089   33.570  937.236   34.062  581.064   10.691  588.696   10.707 -7.632263 15.13129 
1 1 1  -18   10   11 o  217.114   5.1239  127.576   6.0020  123.930   8.6576  130.951   8.3281  214.120   7.4826  220.108   7.0020 -5.988358 10.24782 
1 1 1  -18   10   12 o  509.855   6.8584  702.893   18.894  690.287   26.636  715.659   26.804  505.252   9.7562  514.459   9.6419 -9.206879 13.71675 
1 1 1  -18   10   13 o  515.372   6.9053  718.143   19.229  706.679   27.046  729.862   27.345  511.212   9.7906  519.532   9.7405 -8.319733 13.81061 
1 1 1  -18   10   14 o  454.486   6.3290  558.493   15.539  557.615   22.221  559.333   21.739  454.133   9.0552  454.839   8.8447 -0.7063293 12.65800 
1 1 1  -18   10   15 o  503.651   6.7914  685.826   18.478  689.527   26.471  682.309   25.806  504.972   9.7010  502.330   9.5070 2.641693 13.58274 
1 1 1  -18   10   16 o  206.983   5.4340  115.903   6.0603  114.559   8.8864  117.072   8.2862  205.856   7.9887  208.110   7.3684 -2.254028 10.86795 
1 1 1  -18   10   17 o  408.398   8.3444  450.917   18.415   0.0000   0.0000  450.917   18.415  ?   ?   408.398   8.3444      ?      ? 
1 1 1  -18   10   18 o  322.231   5.4146  280.826   9.4230  271.553   13.370  289.978   13.283  316.940   7.8067  327.522   7.5051 -10.58243 10.82919 
1 1 1  -18   10   19 o  645.630   8.2573  1127.60   28.806  1114.63   40.503  1140.89   40.978  641.872   11.677  649.388   11.678 -7.515808 16.51455 
1 1 1  -18   10   20 o  659.758   8.4242  1177.83   30.032  1173.99   42.651  1181.61   42.294  658.685   11.983  660.831   11.844 -2.145630 16.84836 
1 1 1  -18   10   21 o  675.173   8.5767  1233.65   31.288  1237.51   44.608  1229.92   43.896  676.205   12.208  674.142   12.050 2.063049 17.15331 
1 1 1  -18   10   22 o  315.459   5.5853  269.133   9.5177  266.447   13.598  271.713   13.327  313.912   8.0161  317.006   7.7798 -3.094452 11.17067 
1 1 1  -18   10   23 o  698.701   8.8547  1321.48   33.431  1314.86   47.236  1328.13   47.321  696.945   12.543  700.456   12.502 -3.510742 17.70947 
1 1 1  -18   10   24 o  863.034   10.656  2017.53   49.688  1995.83   69.708  2039.95   70.845  858.322   15.029  867.745   15.109 -9.422485 21.31101 
1 1 1  -18   10   25 o  407.194   6.2728  448.168   13.792  454.769   19.950  442.125   19.089  410.059   9.0032  404.330   8.7369 5.729004 12.54556 
1 1 1  -18   10   26 o  1069.19   13.011  3099.47   75.110  3024.53  103.695  3182.19  108.943  1055.67   18.178  1082.71   18.621 -27.04578 26.02248 
1 1 1  -18   10   27 o  549.180   7.4404  816.010   22.075  820.492   31.583  811.729   30.867  550.648   10.614  547.714   10.429 2.934021 14.88072 
1 1 1  -18   10   28 o  836.115   10.397  1894.58   46.974  1901.03   66.796  1888.27   66.072  837.513   14.759  834.717   14.648 2.796448 20.79464 
1 1 1  -18   10   29 f  269.598   6.0453  196.747   8.8011  190.236   12.520  203.107   12.375  265.179   8.7373  274.018   8.3572 -8.839142 12.09063 
1 1 1  -18   10   30 o  102.262   11.836   29.070   6.3245   24.701   9.0147   33.304   8.8754   93.720   18.457  110.804   14.823 -17.08408 23.67277 
1 1 1  -18   10   31 o  582.425   7.7796  918.189   24.479  899.345   34.184  938.021   35.070  576.298   10.977  588.553   11.027 -12.25531 15.55927 
1 1 1  -18   10   32 o  510.367   7.0966  704.752   19.552  718.040   28.389  692.761   26.968  514.921   10.203  505.814   9.8665 9.107086 14.19310 
1 1 1  -18   10   33 o  394.149   6.2398  419.391   13.250  435.248   19.653  406.178   17.940  400.937   9.0712  387.361   8.5706 13.57611 12.47963 
1 1 1  -18   10   34 o  152.397   8.3201   63.473   6.7850   58.785   10.097   67.333   9.1620  147.180   12.696  157.615   10.757 -10.43568 16.64025 
1 1 1  -18   10   37 o  213.362   13.329  123.874   15.368  123.874   15.368   0.0000   0.0000  213.362   13.329  ?   ?       ?      ? 
1 1 1  -18   10   38 o  232.965   6.1261  147.495   7.6849  141.939   11.221  152.402   10.546  228.786   9.0767  237.145   8.2300 -8.359802 12.25227 
1 1 1  -18   10   39 o   95.126   11.848   24.713   5.8471   33.901   8.9060   17.753   7.7517  111.408   14.794   78.843   18.511 32.56552 23.69652 
1 1 1  -18   10   40 o  317.055   5.8984  273.022   10.094  262.531   14.421  283.100   14.134  311.039   8.5800  323.071   8.0962 -12.03189 11.79682 
1 1 1  -18   10   41 o   89.956   12.095   22.800   5.6481   25.458   8.4085   20.615   7.6241   94.823   17.037   85.090   17.174 9.733139 24.19045 
1 1 1  -18   10   42 o  389.851   6.1709  412.477   12.987  418.696   18.850  406.858   17.917  392.609   8.8850  387.092   8.5659 5.517181 12.34171 
1 1 1  -18   10   43 o  155.148   7.4831   65.223   6.2403   69.284   9.4205   62.048   8.3301  159.379   10.938  150.917   10.215 8.461700 14.96623 
1 1 1  -18   10   44 o  338.794   5.9309  312.215   10.852  300.631   15.341  323.818   15.354  332.462   8.5395  345.126   8.2328 -12.66348 11.86175 
1 1 1  -18   10   45 o   71.660   12.977   15.420   5.3838   7.4375   8.1596   21.575   7.1647   56.284   20.579   87.037   15.816 -30.75377 25.95454 
1 1 1  -18   10   46 o   52.108   13.883   5.8679   5.3194   4.1931   8.3354   7.0186   6.9092   50.858   20.236   53.358   19.011 -2.499958 27.76553 
1 1 1  -18   10   47 o  321.745   5.8532  282.272   10.164  279.058   14.693  285.220   14.074  319.912   8.4997  323.577   8.0494 -3.665070 11.70632 
1 1 1  -18   10   48 o  118.146   8.9614   38.771   5.6609   36.873   8.5216   40.270   7.5735  115.331   13.674  120.960   11.587 -5.629028 17.92287 
1 1 1  -18   10   49 o  140.864   7.8249   53.980   5.9110   59.644   9.0655   49.792   7.7962  147.139   11.402  134.589   10.720 12.55029 15.64974 
1 1 1  -18   10   50 o  100.996   10.831   28.787   5.8812   27.483   8.6293   29.919   8.0369   98.617   16.193  103.374   14.388 -4.756744 21.66168 
1 1 1  -18   10   51 o  161.607   7.2168   71.392   6.2765   80.500   9.3357   63.879   8.4787  170.970   10.105  152.244   10.306 18.72655 14.43361 
1 1 1  -18   10   52 o   84.678   12.568   21.517   5.6504   16.640   8.2970   25.734   7.7163   74.024   20.186   95.333   14.979 -21.30941 25.13642 
1 1 1  -18   10   53 o   96.539   11.171   26.527   5.8135   27.582   8.5794   25.631   7.9049   98.187   16.170   94.892   15.416 3.294563 22.34145 
1 1 1  -18   10   54 o  202.958   6.4969  113.909   7.0760  111.158   10.572  116.141   9.5240  200.464   9.7594  205.452   8.5787 -4.987656 12.99384 
1 1 1  -18   10   55 o   73.846   13.467   16.287   5.6513   24.236   8.4035   9.7236   7.6358   89.540   17.993   58.152   20.041 31.38776 26.93315 
1 1 1  -18   10   56 o   45.682   13.655   2.1507   5.7802   1.7553   8.6616   2.4681   7.7612   46.138   19.685   45.225   18.931 0.9134026 27.31071 
1 1 1  -18   10   57 o  186.518   7.0792   96.722   7.0821   97.966   10.709   95.754   9.4418  187.259   10.583  185.777   9.4054 1.482437 14.15834 
1 1 1  -18   10   58 o  234.217   6.5124  152.631   8.2395  151.920   11.789  153.310   11.520  233.587   9.3402  234.846   9.0778 -1.259140 13.02479 
1 1 1  -18   10   59 o  123.140   9.9752   44.068   6.6082   44.592   9.8292   43.636   8.9267  123.404   14.740  122.875   13.444 0.5289612 19.95037 
1 1 1  -18   10   60 o   47.612   14.205   3.6387   6.2448   3.0771   9.3292   4.0947   8.4057   47.691   20.391   47.532   19.782 0.1585007 28.40948 
1 1 1  -18   10   61 o   72.239   27.187   18.029   14.428   18.029   14.428   0.0000   0.0000   72.239   27.187  ?   ?       ?      ? 
1 1 1  -18   10   62 o   81.085   16.973   25.814   9.3978   9.2860   14.264   38.491   12.492   58.312   25.080  103.858   22.877 -45.54572 33.94669 
1 1 1  -18   10   63 o   70.334   18.755   19.823   9.6512   20.818   14.893   19.104   12.672   70.979   27.398   69.689   25.620 1.290321 37.51051 
1 1 1  -18   10   64 o   70.449   17.129   19.935   7.7722   19.118   9.9082   21.241   12.531   70.161   22.813   70.738   25.557 -0.5763016 34.25762 
1 1 1  -18   11    1 o  552.453   7.3132  825.338   21.831  815.218   30.809  835.543   30.939  549.050   10.384  555.857   10.300 -6.806274 14.62640 
1 1 1  -18   11    2 o  1022.47   12.423  2830.87   68.619  2788.61   95.761  2875.47   98.376  1014.64   17.466  1030.29   17.670 -15.65039 24.84530 
1 1 1  -18   11    3 o  410.181   12.569  455.180   27.860  455.180   27.860   0.0000   0.0000  410.181   12.569  ?   ?       ?      ? 
1 1 1  -18   11    4 o  540.904   10.238  791.915   29.924  787.162   42.422  796.622   42.218  539.284   14.558  542.525   14.401 -3.240967 20.47695 
1 1 1  -18   11    5 o  521.606   9.9938  734.956   28.141  703.378   38.789  770.045   40.889  509.803   14.081  533.409   14.186 -23.60626 19.98755 
1 1 1  -18   11    6 o  135.662   8.3340   48.131   5.7979   44.869   7.0486   54.955   10.195  128.812   10.127  142.512   13.239 -13.70000 16.66793 
1 1 1  -18   11    7 o  553.642   10.287  828.917   30.776   0.0000   0.0000  828.917   30.776  ?   ?   553.642   10.287      ?      ? 
1 1 1  -18   11    8 o  490.941   6.7052  651.712   17.787  645.078   25.126  658.376   25.185  488.435   9.5198  493.447   9.4451 -5.011566 13.41035 
1 1 1  -18   11    9 o  430.763   6.1499  501.261   14.300  510.287   20.775  493.135   19.714  434.440   8.8497  427.086   8.5422 7.353912 12.29984 
1 1 1  -18   11   10 o  724.117   9.0785  1418.16   35.514  1393.76   49.554  1443.93   50.924  717.720   12.777  730.513   12.901 -12.79266 18.15705 
1 1 1  -18   11   11 o  468.617   9.1214  593.760   23.098   0.0000   0.0000  593.760   23.098  ?   ?   468.617   9.1214      ?      ? 
1 1 1  -18   11   12 o  719.140   9.0496  1398.66   35.158  1370.38   49.053  1428.52   50.416  711.674   12.756  726.606   12.840 -14.93213 18.09915 
1 1 1  -18   11   13 o  714.058   8.9785  1379.57   34.642  1379.86   49.232  1379.28   48.754  714.128   12.758  713.988   12.637 0.1395874 17.95702 
1 1 1  -18   11   14 o  325.659   5.4946  285.598   9.6437  301.360   14.283  272.393   13.074  333.882   7.9165  317.436   7.6217 16.44543 10.98917 
1 1 1  -18   11   15 o  308.851   5.4675  257.899   9.1097  257.271   13.263  258.460   12.534  308.491   7.9562  309.212   7.5015 -0.7216187 10.93497 
1 1 1  -18   11   16 o  150.479   6.7480   61.344   5.4513   60.211   8.1488   62.262   7.3341  149.211   10.107  151.747   8.9441 -2.535934 13.49595 
1 1 1  -18   11   17 f  858.090   10.577  1993.60   49.041  1973.40   68.891  2014.35   69.827  853.687   14.934  862.493   14.982 -8.805908 21.15419 
1 1 1  -18   11   18 o  759.750   9.4909  1562.46   38.964  1550.86   54.908  1574.22   55.299  756.911   13.425  762.589   13.420 -5.678223 18.98183 
1 1 1  -18   11   19 o  1094.25   13.255  3247.85   78.371  3224.60  110.230  3271.61  111.447  1090.30   18.710  1098.20   18.780 -7.901367 26.50928 
1 1 1  -18   11   20 o  311.130   5.6592  261.865   9.5038  259.007   13.729  264.496   13.169  309.492   8.2093  312.767   7.7919 -3.274841 11.31847 
1 1 1  -18   11   21 o  598.084   7.8507  967.955   25.371  959.865   35.956  975.977   35.805  595.589   11.172  600.579   11.033 -4.989197 15.70145 
1 1 1  -18   11   22 o  753.498   9.4707  1536.87   38.556  1515.28   53.964  1559.39   55.106  748.099   13.349  758.898   13.438 -10.79883 18.94144 
1 1 1  -18   11   23 o  878.881   10.847  2092.87   51.513  2078.14   72.553  2107.85   73.152  875.763   15.331  881.999   15.349 -6.236084 21.69395 
1 1 1  -18   11   24 f  393.158   6.2740  418.177   13.325  412.251   18.992  423.922   18.700  390.408   9.0026  395.908   8.7411 -5.500092 12.54802 
1 1 1  -18   11   25 o  148.749   8.4361   59.920   6.7784   58.720   9.6498   61.088   9.5235  147.274   12.126  150.224   11.732 -2.949814 16.87221 
1 1 1  -18   11   26 o  814.006   10.172  1795.27   44.741  1781.12   63.040  1809.63   63.510  810.774   14.389  817.238   14.382 -6.463928 20.34377 
1 1 1  -18   11   27 o  571.693   7.6902  884.199   23.751  866.019   33.127  903.429   34.070  565.652   10.838  577.734   10.913 -12.08105 15.38045 
1 1 1  -18   11   28 o  109.601   11.092   32.829   6.4690   31.150   9.9170   34.073   8.5350  107.098   17.136  112.103   14.090 -5.004677 22.18460 
1 1 1  -18   11   29 o  313.006   6.0567  264.834   10.234  269.914   14.856  260.244   14.119  315.854   8.7040  310.158   8.4246 5.696014 12.11331 
1 1 1  -18   11   30 o  677.554   8.7356  1243.93   31.980  1248.86   45.618  1239.17   44.844  678.861   12.436  676.248   12.272 2.613159 17.47123 
1 1 1  -18   11   31 o  493.972   7.0183  660.859   18.731  655.943   26.656  665.653   26.326  492.146   10.023  495.798   9.8265 -3.651886 14.03660 
1 1 1  -18   11   32 o  339.955   6.0674  312.822   11.139  298.614   15.648  327.420   15.862  332.119   8.7190  347.791   8.4400 -15.67206 12.13482 
1 1 1  -18   11   33 o  161.047   9.7381   70.346   8.1274   70.100   10.140   70.788   13.591  160.773   11.672  161.322   15.591 -0.5498047 19.47611 
1 1 1  -18   11   36 o  361.118   8.7228  354.524   17.005  354.054   24.591  354.955   23.539  360.839   12.612  361.398   12.054 -0.5587463 17.44567 
1 1 1  -18   11   37 o  264.841   6.0555  190.634   8.6406  175.940   12.320  204.859   12.122  254.730   8.9505  274.951   8.1587 -20.22160 12.11096 
1 1 1  -18   11   38 f  115.514   9.7798   36.076   5.9986   38.085   9.5100   34.748   7.7305  118.073   14.905  112.955   12.665 5.118088 19.55960 
1 1 1  -18   11   39 o  452.251   6.6419  555.307   16.224  561.127   23.345  549.870   22.564  454.514   9.5052  449.988   9.2794 4.525787 13.28371 
1 1 1  -18   11   40 o  358.685   6.0636  349.147   11.732  350.871   17.120  347.620   16.110  359.472   8.8136  357.898   8.3299 1.574280 12.12716 
1 1 1  -18   11   41 o  398.015   6.2676  429.922   13.462  436.675   19.621  423.916   18.503  400.919   9.0567  395.110   8.6665 5.809662 12.53522 
1 1 1  -18   11   42 o  295.750   5.9218  236.930   9.4325  245.748   14.018  229.634   12.751  300.715   8.6266  290.786   8.1150 9.929565 11.84361 
1 1 1  -18   11   43 o  113.117   10.358   35.979   6.1786   28.003   8.9412   43.269   8.5479  100.582   16.451  125.651   12.589 -25.06895 20.71527 
1 1 1  -18   11   44 o  140.732   8.1763   53.740   6.1770   58.194   9.4089   50.366   8.1888  145.752   11.946  135.712   11.166 10.03957 16.35252 
1 1 1  -18   11   45 o  129.999   9.0687   45.607   6.2176   61.712   9.4525   33.325   8.2548  150.057   11.657  109.942   13.895 40.11548 18.13737 
1 1 1  -18   11   46 o   44.550   13.248   1.1504   5.4394  -0.5939   8.1118   2.5756   7.3320   43.262   18.759   45.838   18.713 -2.576878 26.49686 
1 1 1  -18   11   47 o   88.976   12.196   22.540   5.7310   27.304   8.3854   18.365   7.8507   98.869   15.696   79.083   18.671 19.78569 24.39141 
1 1 1  -18   11   48 o  201.987   6.4663  111.344   7.0106  113.725   10.590  109.487   9.3535  203.774   9.6176  200.201   8.6461 3.572998 12.93262 
1 1 1  -18   11   49 o   94.248   11.915   25.778   5.8659   23.293   8.7007   27.848   7.9424   88.787   18.724   99.709   14.741 -10.92156 23.83066 
1 1 1  -18   11   50 o  381.753   6.1855  399.457   12.752  396.466   18.326  402.264   17.754  380.261   8.9186  383.244   8.5732 -2.982635 12.37101 
1 1 1  -18   11   51 o   54.156   13.226   5.5338   5.7046  -5.1658   8.3888   14.738   7.7805   38.317   17.626   69.994   19.725 -31.67611 26.45274 
1 1 1  -18   11   52 o   65.053   14.412   12.250   5.5949   15.167   8.6874   10.182   7.3136   70.645   21.124   59.462   19.612 11.18301 28.82445 
1 1 1  -18   11   53 o  168.205   7.2235   78.271   6.5103   79.120   9.8854   77.620   8.6515  168.749   10.841  167.661   9.5493 1.087875 14.44699 
1 1 1  -18   11   54 o   76.778   13.018   17.662   5.8522   27.321   8.3724   8.4346   8.1833   97.322   15.920   56.234   20.601 41.08792 26.03589 
1 1 1  -18   11   55 o  136.838   8.4116   52.029   6.1805   59.922   9.3585   45.924   8.2308  145.939   11.867  127.737   11.924 18.20174 16.82319 
1 1 1  -18   11   56 o   43.885   13.451   0.3694   5.8979   2.1791   8.6410  -1.2090   8.0699   46.667   19.777   41.104   18.235 5.563114 26.90121 
1 1 1  -18   11   57 o   82.525   14.165   21.790   6.2610   19.435   9.3130   23.732   8.4574   77.520   21.487   87.530   18.462 -10.01067 28.32918 
1 1 1  -18   11   58 o  126.002   9.8476   45.319   6.6621   51.360   10.134   40.721   8.8411  133.217   14.078  118.788   13.774 14.42921 19.69513 
1 1 1  -18   11   59 o  257.121   6.5207  185.340   9.0428  186.596   13.213  184.234   12.403  257.663   9.4897  256.580   8.9454 1.082672 13.04131 
1 1 1  -18   11   60 o   85.270   22.084   24.415   10.257   24.415   10.257   0.0000   0.0000   85.270   22.084  ?   ?       ?      ? 
1 1 1  -18   11   61 o  152.916   12.975   72.451   10.689   78.198   15.890   67.703   14.445  158.150   18.594  147.681   18.101 10.46942 25.94951 
1 1 1  -18   11   62 o   66.232   18.185   18.143   9.3316   16.860   14.650   19.018   12.105   64.299   26.374   68.165   25.043 -3.865593 36.36974 
1 1 1  -18   11   63 o   46.104   13.618  -3.5144   6.6805   14.209   10.171 -16.9605   8.8593   62.693   22.968   29.514   14.638 33.17972 27.23552 
1 1 1  -18   12    1 o  558.075   10.615  841.484   31.955  870.045   46.865  816.667   43.686  566.887   15.299  549.264   14.719 17.62292 21.22978 
1 1 1  -18   12    2 o  199.892   8.9735  108.908   9.5800   89.707   13.529  128.221   13.568  182.064   13.751  217.719   11.533 -35.65498 17.94707 
1 1 1  -18   12    3 o  429.650   9.0247  499.376   20.949  486.712   29.428  512.387   29.829  424.124   12.840  435.175   12.685 -11.05075 18.04931 
1 1 1  -18   12    4 o  317.075   6.8527  271.720   11.163  271.416   13.790  272.297   19.013  316.858   8.0541  317.291   11.089 -0.4331360 13.70541 
1 1 1  -18   12    5 o  217.109   5.5903  127.302   6.5540  130.587   9.4843  124.299   9.0671  219.786   7.9858  214.431   7.8252 5.354416 11.18065 
1 1 1  -18   12    6 o  844.360   14.724  1929.93   67.182   0.0000   0.0000  1929.93   67.182  ?   ?   844.360   14.724      ?      ? 
1 1 1  -18   12    7 o  267.195   5.4064  192.868   7.8021  196.757   11.249  189.262   10.831  269.788   7.7159  264.602   7.5751 5.186279 10.81281 
1 1 1  -18   12    8 o  612.076   7.9283  1013.34   26.222  1009.03   37.120  1017.64   37.047  610.774   11.247  613.379   11.177 -2.605469 15.85660 
1 1 1  -18   12    9 o  1312.32   15.774  4672.88  111.846  4626.77  156.783  4720.66  159.604  1305.76   22.220  1318.89   22.395 -13.13647 31.54783 
1 1 1  -18   12   10 o  411.591   6.0971  457.962   13.558  445.926   19.071  470.262   19.279  406.122   8.6902  417.061   8.5545 -10.93906 12.19420 
1 1 1  -18   12   11 f  501.992   6.9002  681.421   18.716  671.953   26.404  690.983   26.534  498.486   9.8024  505.499   9.7140 -7.013214 13.80038 
1 1 1  -18   12   12 o  383.427   5.9428  397.159   12.299  403.769   17.878  391.220   16.947  386.448   8.5614  380.405   8.2443 6.043396 11.88557 
1 1 1  -18   12   13 o  646.121   8.3000  1129.39   28.976  1131.02   41.271  1127.81   40.692  646.575   11.812  645.667   11.663 0.9080200 16.60009 
1 1 1  -18   12   14 o  353.789   8.0342  338.395   15.360   0.0000   0.0000  338.395   15.360  ?   ?   353.789   8.0342      ?      ? 
1 1 1  -18   12   15 o  482.918   6.7351  630.258   17.556  639.548   25.504  621.892   24.204  486.289   9.7057  479.547   9.3405 6.742310 13.47016 
1 1 1  -18   12   16 o  186.396   6.2069   93.465   6.2185   98.468   9.3793   89.540   8.3067  190.818   9.0962  181.974   8.4475 8.844498 12.41380 
1 1 1  -18   12   17 o  313.684   5.6606  266.141   9.5785  264.538   13.939  267.574   13.185  312.782   8.2471  314.586   7.7561 -1.804016 11.32128 
1 1 1  -18   12   18 o  389.147   6.0434  409.538   12.704  396.122   17.907  423.133   18.026  382.726   8.6585  395.568   8.4332 -12.84256 12.08674 
1 1 1  -18   12   19 o  767.422   9.6265  1594.12   39.910  1565.88   55.698  1623.93   57.216  760.445   13.555  774.399   13.673 -13.95435 19.25298 
1 1 1  -18   12   20 o  424.211   6.4011  486.763   14.670  481.646   20.890  491.743   20.606  422.006   9.1609  426.416   8.9428 -4.410339 12.80220 
1 1 1  -18   12   21 o  1117.25   13.564  3385.87   81.860  3325.86  113.848  3450.11  117.787  1107.05   19.031  1127.46   19.333 -20.41101 27.12891 
1 1 1  -18   12   22 o  335.035   6.0517  303.647   10.953  296.076   15.522  311.154   15.457  330.870   8.6818  339.200   8.4332 -8.330139 12.10338 
1 1 1  -18   12   23 o  878.576   10.880  2090.65   51.626  2043.81   71.591  2141.40   74.516  868.355   15.257  888.796   15.515 -20.44055 21.76019 
1 1 1  -18   12   24 o  230.301   6.4519  143.716   8.0151  136.469   11.469  150.634   11.206  224.607   9.4496  235.995   8.7871 -11.38821 12.90379 
1 1 1  -18   12   25 o  482.207   6.9172  629.179   18.022  618.998   25.524  639.301   25.450  478.310   9.8752  486.104   9.6888 -7.794006 13.83447 
1 1 1  -18   12   26 o  142.592   8.9658   55.596   6.8439   48.983   9.9479   61.538   9.4302  134.435   13.694  150.749   11.577 -16.31404 17.93166 
1 1 1  -18   12   27 o  342.302   6.1315  317.543   11.317  307.113   16.386  327.056   15.649  336.900   9.0008  347.703   8.3288 -10.80292 12.26304 
1 1 1  -18   12   28 o  349.885   6.2064  331.464   11.717  326.400   16.966  336.082   16.201  347.314   9.0399  352.457   8.5062 -5.143829 12.41275 
1 1 1  -18   12   29 o  162.281   8.2372   71.441   7.1458   70.750   10.907   71.961   9.4582  161.559   12.494  163.004   10.738 -1.445435 16.47449 
1 1 1  -18   12   30 o  650.300   8.4773  1146.38   29.776  1155.89   42.837  1137.48   41.417  652.881   12.142  647.719   11.833 5.161926 16.95460 
1 1 1  -18   12   31 o  168.870   7.6742   77.396   6.9721   76.107   10.309   78.482   9.4650  167.546   11.387  170.194   10.292 -2.647583 15.34838 
1 1 1  -18   12   32 o  487.626   8.5988  649.641   21.759  661.846   27.352  628.604   35.911  494.203   10.242  481.049   13.815 13.15433 17.19769 
1 1 1  -18   12   35 o  125.751   14.054   43.965   9.1548   55.923   13.429   33.581   12.514  142.981   17.381  108.521   22.090 34.46075 28.10819 
1 1 1  -18   12   36 o  356.756   6.1252  344.402   11.749  351.298   17.589  338.846   15.788  359.920   9.0438  353.591   8.2633 6.328796 12.25039 
1 1 1  -18   12   37 o   94.799   12.412   25.732   6.0947   21.117   9.1657   29.390   8.1601   85.858   20.109  103.741   14.556 -17.88350 24.82475 
1 1 1  -18   12   38 o  291.448   5.9150  230.689   9.2882  227.305   13.612  233.637   12.706  289.396   8.7042  293.500   8.0115 -4.104187 11.82991 
1 1 1  -18   12   39 o  158.833   7.6516   66.608   6.4672   83.830   10.199   55.025   8.3640  175.496   10.754  142.170   10.887 33.32645 15.30317 
1 1 1  -18   12   40 o  391.391   6.2541  416.187   13.222  403.446   18.716  428.882   18.682  385.375   8.9874  397.406   8.6995 -12.03052 12.50825 
1 1 1  -18   12   41 o  602.284   8.0211  989.620   26.091  999.990   37.590  979.980   36.244  605.248   11.494  599.321   11.191 5.927002 16.04211 
1 1 1  -18   12   42 o   89.844   12.681   21.612   5.9588   30.454   9.6877   16.231   7.5575  104.792   17.108   74.897   18.724 29.89535 25.36296 
1 1 1  -18   12   43 o  290.385   5.9837  229.868   9.3666  221.097   13.559  237.874   12.954  284.993   8.8046  295.776   8.1053 -10.78360 11.96730 
1 1 1  -18   12   44 o   35.185   11.610  -6.8924   5.3951  -6.2082   8.0493  -7.4505   7.2698   36.958   17.095   33.412   15.713 3.546261 23.21937 
1 1 1  -18   12   45 o   55.576   14.656   7.0257   5.8803   7.1730   8.7750   6.9056   7.9223   56.516   21.215   54.636   20.227 1.880096 29.31230 
1 1 1  -18   12   46 o   76.833   13.594   16.552   5.6834   23.771   8.8867   11.556   7.3930   90.127   18.853   63.539   19.589 26.58847 27.18734 
1 1 1  -18   12   47 o   70.579   13.555   13.385   5.6909   23.278   8.7238   6.0558   7.5085   89.071   18.720   52.087   19.611 36.98432 27.11083 
1 1 1  -18   12   48 o  107.832   10.465   32.817   6.0429   29.361   8.8107   35.888   8.3037  102.117   15.967  113.547   13.533 -11.42992 20.93087 
1 1 1  -18   12   49 o  237.255   8.3709  154.059   10.732   0.0000   0.0000  154.059   10.732  ?   ?   237.255   8.3709      ?      ? 
1 1 1  -18   12   50 o  116.618   9.7599   38.135   6.1264   38.304   9.0748   37.993   8.3045  116.667   14.395  116.568   13.184 0.9883118E-01 19.51982 
1 1 1  -18   12   51 o   87.677   12.763   22.621   5.8041   25.731   8.9010   20.319   7.6556   92.821   18.396   82.533   17.697 10.28875 25.52652 
1 1 1  -18   12   52 o  149.391   8.0646   62.689   6.4468   56.182   9.4443   68.366   8.8218  141.692   12.335  157.091   10.392 -15.39920 16.12928 
1 1 1  -18   12   53 o   62.447   14.231   11.762   5.6010   8.1685   8.6525   14.354   7.3483   56.365   21.085   68.528   19.119 -12.16333 28.46243 
1 1 1  -18   12   54 o  202.950   6.7193  114.257   7.3312  113.204   10.899  115.127   9.9075  201.823   9.9938  204.076   8.9843 -2.252274 13.43857 
1 1 1  -18   12   55 o  108.643   11.139   35.439   6.1655   27.821   9.0926   41.923   8.3886   95.636   18.260  121.650   12.761 -26.01404 22.27756 
1 1 1  -18   12   56 o   43.096   12.808  -4.1623   5.9712   8.8138   8.6431 -16.0108   8.2590   56.732   21.102   29.460   14.522 27.27188 25.61653 
1 1 1  -18   12   57 o  100.714   12.023   29.930   6.1994   42.929   9.4360   20.057   8.2231  121.723   14.346   79.705   19.299 42.01768 24.04664 
1 1 1  -18   12   58 f   45.126   13.912   1.0850   6.3639   3.1586   9.4901  -0.6094   8.5785   48.239   20.594   42.013   18.711 6.225662 27.82456 
1 1 1  -18   12   59 o   37.687   12.555  -6.9221   6.5559  -7.5078   9.9894  -6.4789   8.6890   38.791   18.297   36.584   17.197 2.207382 25.10967 
1 1 1  -18   12   60 o  136.472   15.589   64.019   10.399   42.590   15.773   80.495   13.831  108.420   27.020  164.524   15.557 -56.10428 31.17832 
1 1 1  -18   12   61 o   78.933   19.078   26.180   9.9267   35.203   15.042   19.218   13.212   89.687   27.990   68.179   25.932 21.50797 38.15593 
1 1 1  -18   12   62 o   75.818   15.648   20.348   6.7186   23.388   10.565   18.285   8.7058   79.625   23.161   72.012   21.048 7.612411 31.29593 
1 1 1  -18   12   63 o   46.059   14.853   0.7607   8.4125   5.4707   10.747  -6.6914   13.518   49.186   21.457   42.931   20.542 6.254658 29.70532 
1 1 1  -18   13    1 o  356.690   8.7947  344.618   16.909  338.288   24.671  350.225   23.221  353.579   12.913  359.802   11.944 -6.223419 17.58936 
1 1 1  -18   13    2 o  339.926   8.5462  312.430   15.638  314.640   23.188  310.586   21.180  341.009   12.584  338.843   11.567 2.166382 17.09246 
1 1 1  -18   13    3 o  640.255   8.2676  1108.92   28.602  1109.65   40.700  1108.20   40.203  640.460   11.760  640.051   11.624 0.4090576 16.53524 
1 1 1  -18   13    4 f  426.130   8.8160  490.963   20.300   0.0000   0.0000  490.963   20.300  ?   ?   426.130   8.8160      ?      ? 
1 1 1  -18   13    6 o  817.789   10.173  1809.09   44.932  1771.47   62.360  1849.71   64.798  808.967   14.266  826.611   14.507 -17.64423 20.34587 
1 1 1  -18   13    7 o  616.450   8.0322  1027.67   26.752  1011.50   37.420  1044.56   38.259  611.495   11.325  621.405   11.394 -9.909363 16.06445 
1 1 1  -18   13    8 o  512.059   7.0513  709.039   19.509  695.823   27.459  722.511   27.723  507.239   10.018  516.879   9.9258 -9.640198 14.10254 
1 1 1  -18   13    9 o  387.758   6.0421  406.204   12.654  389.316   17.639  424.109   18.162  379.460   8.6026  396.056   8.4865 -16.59689 12.08414 
1 1 1  -18   13   10 o  910.612   11.236  2244.93   55.270  2201.24   76.993  2291.39   79.390  901.488   15.805  919.737   15.974 -18.24878 22.47173 
1 1 1  -18   13   11 o  307.199   7.9769  255.143   13.242   0.0000   0.0000  255.143   13.242  ?   ?   307.199   7.9769      ?      ? 
1 1 1  -18   13   12 o  1196.06   14.468  3882.61   93.506  3864.52  131.859  3900.92  132.619  1193.26   20.450  1198.86   20.471 -5.599731 28.93559 
1 1 1  -18   13   13 o  776.555   9.7524  1632.35   40.908  1649.67   58.773  1616.07   56.975  780.533   13.935  772.578   13.648 7.955444 19.50471 
1 1 1  -18   13   14 o  624.521   8.1400  1054.63   27.446  1074.05   39.793  1037.00   37.905  629.985   11.689  619.057   11.331 10.92847 16.28001 
1 1 1  -18   13   15 o  1079.65   13.123  3162.59   76.560  3158.81  108.421  3166.36  108.123  1079.00   18.595  1080.31   18.522 -1.306763 26.24578 
1 1 1  -18   13   16 o  536.835   7.3163  779.572   21.222  764.674   29.856  794.786   30.171  531.649   10.392  542.022   10.301 -10.37299 14.63256 
1 1 1  -18   13   17 o  325.678   5.9315  286.377   10.413  292.770   15.341  280.916   14.180  329.035   8.6285  322.321   8.1412 6.714630 11.86299 
1 1 1  -18   13   18 o  765.472   9.6438  1586.63   39.888  1589.06   56.709  1584.25   56.117  766.044   13.700  764.899   13.577 1.144287 19.28765 
1 1 1  -18   13   19 o  447.166   6.6525  540.995   16.070  531.156   22.845  550.633   22.610  443.133   9.5406  451.199   9.2736 -8.065979 13.30495 
1 1 1  -18   13   20 o  194.711   7.0496  103.018   7.3840   93.857   10.596  111.667   10.296  186.244   10.528  203.179   9.3775 -16.93469 14.09919 
1 1 1  -18   13   21 o  270.061   6.1791  195.984   8.9736  209.821   13.520  185.088   11.997  278.518   8.9833  261.604   8.4868 16.91403 12.35820 
1 1 1  -18   13   22 f  300.945   8.7505  244.956   14.230   0.0000   0.0000  244.956   14.230  ?   ?   300.945   8.7505      ?      ? 
1 1 1  -18   13   23 o  402.583   6.4825  438.649   14.092  431.246   20.207  445.659   19.663  399.263   9.3660  405.902   8.9648 -6.638733 12.96497 
1 1 1  -18   13   24 o  670.602   8.6922  1218.09   31.497  1211.94   44.583  1224.22   44.505  668.906   12.334  672.298   12.251 -3.392029 17.38436 
1 1 1  -18   13   25 o  400.368   6.4005  433.742   13.843  419.421   19.504  448.279   19.650  393.701   9.1679  407.035   8.9340 -13.33459 12.80106 
1 1 1  -18   13   26 o  443.817   6.7021  533.115   16.070  529.884   22.929  536.233   22.528  442.487   9.5896  445.147   9.3655 -2.660431 13.40417 
1 1 1  -18   13   27 o  568.658   7.7191  875.700   23.718  860.707   33.414  890.926   33.671  563.747   10.969  573.570   10.864 -9.823914 15.43815 
1 1 1  -18   13   28 o  802.444   10.102  1748.14   43.802  1744.58   62.189  1751.64   61.705  801.615   14.357  803.272   14.216 -1.657166 20.20405 
1 1 1  -18   13   29 o  697.250   8.9899  1318.80   33.868  1296.93   47.521  1341.38   48.281  691.375   12.720  703.125   12.707 -11.74963 17.97988 
1 1 1  -18   13   30 o  231.114   10.299  144.733   12.862  144.733   12.862   0.0000   0.0000  231.114   10.299  ?   ?       ?      ? 
1 1 1  -18   13   31 o  231.435   9.7570  142.948   12.086  172.725   18.471  120.653   15.983  252.160   13.556  210.709   14.037 41.45097 19.51406 
1 1 1  -18   13   34 o  331.002   6.2767  297.199   11.207  293.581   16.280  300.457   15.451  329.051   9.1562  332.953   8.5879 -3.902405 12.55345 
1 1 1  -18   13   35 o  460.951   6.7617  576.138   16.821  583.748   24.484  569.337   23.148  463.788   9.7696  458.113   9.3508 5.675507 13.52338 
1 1 1  -18   13   36 o  135.068   9.3040   50.888   6.5931   44.023   10.215   55.791   8.6319  126.907   14.895  143.229   11.153 -16.32189 18.60807 
1 1 1  -18   13   37 o  276.768   6.0978  207.334   9.0561  212.673   13.713  203.204   12.061  279.853   9.0678  273.684   8.1551 6.168640 12.19552 
1 1 1  -18   13   38 o  301.676   6.0107  247.320   9.7622  243.408   14.375  250.669   13.299  299.395   8.8853  303.957   8.0972 -4.562042 12.02138 
1 1 1  -18   13   39 o  321.481   6.1408  281.011   10.647  260.432   15.039  301.684   15.074  309.610   8.9894  333.353   8.3682 -23.74274 12.28151 
1 1 1  -18   13   40 o  179.381   7.1794   85.646   6.8787  103.280   10.722   73.310   8.9674  194.709   10.190  164.053   10.116 30.65587 14.35870 
1 1 1  -18   13   41 o  244.226   6.1304  161.850   8.0368  165.729   12.145  158.827   10.720  246.737   9.1088  241.715   8.2072 5.022141 12.26084 
1 1 1  -18   13   42 o  144.512   8.3893   58.349   6.4075   49.783   9.6514   65.100   8.5682  134.591   13.270  154.433   10.267 -19.84241 16.77870 
1 1 1  -18   13   43 o  278.431   6.0706  211.757   9.0983  201.501   13.258  220.885   12.508  271.927   9.0228  284.936   8.1240 -13.00897 12.14128 
1 1 1  -18   13   44 o  134.437   8.7971   50.867   6.2395   42.320   9.3416   57.751   8.3839  123.684   13.977  145.190   10.686 -21.50665 17.59417 
1 1 1  -18   13   45 o  224.761   6.3808  137.797   7.6970  139.770   11.615  136.253   10.278  226.057   9.5086  223.465   8.5114 2.592270 12.76150 
1 1 1  -18   13   46 o  212.494   6.6094  124.885   7.4967  112.278   11.135  135.338   10.139  202.328   10.185  222.660   8.4266 -20.33199 13.21871 
1 1 1  -18   13   47 o  123.648   9.5897   43.571   6.2370   36.233   9.4104   49.319   8.3292  113.637   15.325  133.659   11.532 -20.02159 19.17943 
1 1 1  -18   13   48 o  253.206   6.1525  175.957   8.3487  173.079   12.582  178.221   11.159  251.116   9.2725  255.296   8.0890 -4.179764 12.30498 
1 1 1  -18   13   49 f  138.956   8.5915   53.901   6.3667   52.309   9.7361   55.090   8.4153  136.811   13.170  141.100   11.037 -4.288361 17.18305 
1 1 1  -18   13   50 o   60.297   14.639   9.2033   5.7828   15.019   9.2901   5.5246   7.3889   70.412   22.000   50.182   19.318 20.23040 29.27788 
1 1 1  -18   13   51 o   56.102   13.738   7.8333   5.7438  -0.7088   8.8553   14.037   7.5466   44.095   19.350   68.108   19.507 -24.01316 27.47685 
1 1 1  -18   13   52 f  219.930   6.5130  133.503   7.6978  134.022   11.508  133.083   10.356  220.071   9.6772  219.789   8.7193 0.2827606 13.02593 
1 1 1  -18   13   53 o   67.623   14.912   14.232   6.0691   12.336   9.2465   15.667   8.0445   64.222   22.059   71.024   20.071 -6.802116 29.82360 
1 1 1  -18   13   54 o  180.207   7.4076   90.736   7.1890   89.056   10.547   92.194   9.8252  178.387   10.941  182.027   9.9889 -3.639862 14.81519 
1 1 1  -18   13   55 o   56.079   14.076   7.9409   6.0434  -0.7697   9.2352   14.465   7.9922   44.189   19.560   67.969   20.247 -23.77983 28.15199 
1 1 1  -18   13   56 o   63.634   15.130   12.506   6.0779   13.709   9.4705   11.664   7.9254   65.826   22.328   61.441   20.423 4.384613 30.25972 
1 1 1  -18   13   57 o  165.890   8.3123   80.508   7.2138   66.881   11.010   90.758   9.5488  151.950   13.409  179.830   9.8265 -27.87964 16.62451 
1 1 1  -18   13   58 o  144.854   9.2040   59.967   7.1491   69.848   10.922   52.562   9.4560  155.122   13.030  134.586   13.002 20.53598 18.40795 
1 1 1  -18   13   59 o  145.455   15.738   73.293   10.811   30.315   15.141  117.995   15.442   90.035   28.079  200.875   14.226 -110.8401 31.47693 
1 1 1  -18   13   60 o   88.258   16.591   30.952   9.6022   11.108   14.485   46.509   12.825   60.128   25.550  116.387   21.173 -56.25900 33.18258 
1 1 1  -18   13   61 o   65.142   16.079   14.148   7.2437   23.215   11.156   7.5392   9.5246   78.023   24.064   52.261   21.331 25.76121 32.15750 
1 1 1  -18   13   62 o   69.320   15.052   18.857   7.0848   7.8322   11.349   25.897   9.0689   52.886   22.548   85.753   19.947 -32.86773 30.10460 
1 1 1  -18   14    1 o  301.220   8.0737  250.785   11.698  233.784   22.011  257.479   13.811  293.852   13.862  308.589   8.2822 -14.73785 16.14747 
1 1 1  -18   14    2 o  403.520   7.8924  437.352   15.993  432.039   19.273  449.099   28.659  399.711   8.9232  407.330   13.021 -7.618317 15.78476 
1 1 1  -18   14    3 o  440.998   8.1604  530.138   18.463  539.045   22.881  513.513   31.260  446.450   9.4845  435.546   13.282 10.90399 16.32076 
1 1 1  -18   14    4 o  395.097   6.2034  422.220   13.241  412.371   18.773  431.967   18.677  390.507   8.8964  399.687   8.6478 -9.180145 12.40687 
1 1 1  -18   14    5 o  145.424   10.469   57.207   8.2268   0.0000   0.0000   57.207   8.2268  ?   ?   145.424   10.469      ?      ? 
1 1 1  -18   14    6 o  592.465   7.8604  949.508   25.157  956.416   36.094  942.982   35.082  594.552   11.234  590.379   10.997 4.172852 15.72074 
1 1 1  -18   14    7 o  264.343   6.1107  188.868   8.7134  190.399   12.728  187.519   11.953  265.344   8.8772  263.341   8.4000 2.002319 12.22149 
1 1 1  -18   14    8 o  1107.62   13.463  3328.58   80.581  3314.98  113.725  3342.30  114.193  1105.35   19.040  1109.90   19.040 -4.545166 26.92673 
1 1 1  -18   14    9 o  143.769   11.196   55.929   8.6979   0.0000   0.0000   55.929   8.6979  ?   ?   143.769   11.196      ?      ? 
1 1 1  -18   14   11 f  514.738   7.1628  716.838   19.919  712.359   28.403  721.172   27.942  513.148   10.243  516.328   10.015 -3.179260 14.32553 
1 1 1  -18   14   12 o  607.925   8.0388  1000.10   26.404  999.454   37.653  1000.73   37.036  607.723   11.466  608.128   11.271 -0.4046021 16.07765 
1 1 1  -18   14   13 o  624.426   8.1982  1055.13   27.661  1042.88   39.019  1067.50   39.219  620.781   11.632  628.071   11.556 -7.290100 16.39631 
1 1 1  -18   14   14 o  667.273   8.6348  1205.17   31.134  1199.30   44.138  1210.97   43.923  665.651   12.271  668.896   12.152 -3.244202 17.26960 
1 1 1  -18   14   15 f  163.099   8.0592   72.195   7.0660   69.686   10.435   74.319   9.6022  160.460   12.035  165.737   10.722 -5.277481 16.11832 
1 1 1  -18   14   16 o  126.334   10.008   43.927   6.7172   35.971   9.7369   51.152   9.2787  115.207   15.641  137.460   12.492 -22.25264 20.01678 
1 1 1  -18   14   17 o  386.276   6.3902  403.215   13.316  409.502   19.473  397.694   18.249  389.091   9.2617  383.461   8.8069 5.629578 12.78048 
1 1 1  -18   14   18 o  445.850   6.7389  537.655   16.220  539.805   23.478  535.692   22.435  446.691   9.7267  445.009   9.3297 1.681793 13.47790 
1 1 1  -18   14   19 o  687.754   8.8853  1280.76   33.021  1274.10   46.712  1287.41   46.686  685.963   12.602  689.545   12.530 -3.581543 17.77065 
1 1 1  -18   14   20 o  296.959   6.3575  238.400   10.190  241.028   14.809  236.039   14.042  298.504   9.1812  295.413   8.7964 3.091278 12.71495 
1 1 1  -18   14   21 o  238.390   6.6848  153.968   8.5640  133.826   11.975  175.053   12.252  222.392   9.9650  254.389   8.9132 -31.99715 13.36959 
1 1 1  -18   14   22 o  251.495   6.4466  171.475   8.7430  162.899   12.549  179.564   12.188  245.358   9.4650  257.631   8.7547 -12.27324 12.89310 
1 1 1  -18   14   23 o  494.311   7.1078  661.290   18.983  646.123   26.686  676.825   27.009  488.570   10.108  500.053   9.9954 -11.48303 14.21560 
1 1 1  -18   14   24 o  882.325   10.982  2107.65   52.276  2029.98   71.508  2196.80   76.614  864.964   15.299  899.687   15.759 -34.72363 21.96385 
1 1 1  -18   14   25 o  260.181   6.5404  183.736   9.1684  171.109   13.141  195.710   12.798  251.426   9.6725  268.935   8.8064 -17.50957 13.08085 
1 1 1  -18   14   26 o  563.356   7.6882  859.290   23.397  832.168   32.652  887.911   33.542  554.221   10.903  572.491   10.843 -18.27026 15.37630 
1 1 1  -18   14   27 o  321.227   8.5656  279.321   14.868   0.0000   0.0000  279.321   14.868  ?   ?   321.227   8.5656      ?      ? 
1 1 1  -18   14   28 o  333.849   6.3556  301.713   11.448  303.148   16.676  300.433   15.744  334.581   9.2235  333.117   8.7466 1.463531 12.71124 
1 1 1  -18   14   29 o  129.554   14.942   50.870   9.4561   27.793   14.055   69.955   12.782   98.698   25.993  160.410   14.746 -61.71140 29.88451 
1 1 1  -18   14   30 o  329.062   12.156  293.919   21.616   0.0000   0.0000  293.919   21.616  ?   ?   329.062   12.156      ?      ? 
1 1 1  -18   14   32 o  290.787   11.690  229.730   18.369   0.0000   0.0000  229.730   18.369  ?   ?   290.787   11.690      ?      ? 
1 1 1  -18   14   33 o   60.776   15.042   8.9619   6.2664   4.7064   9.6158   12.103   8.2617   55.065   21.790   66.486   20.742 -11.42036 30.08386 
1 1 1  -18   14   34 o  464.896   6.8602  586.959   17.218  577.588   24.761  595.733   23.959  461.250   9.9346  468.543   9.4632 -7.293274 13.72038 
1 1 1  -18   14   35 o  157.831   8.2237   66.394   6.9392   79.037   10.781   57.453   9.0669  170.381   11.710  145.281   11.549 25.09999 16.44737 
1 1 1  -18   14   36 o   93.515   12.986   23.883   6.3907   32.983   9.8465   17.259   8.4004  109.529   16.637   77.501   19.943 32.02835 25.97109 
1 1 1  -18   14   37 o  304.755   6.1372  252.773   10.064  244.553   14.788  259.865   13.736  300.051   9.1207  309.458   8.2141 -9.406891 12.27431 
1 1 1  -18   14   38 o   46.168   13.402  -3.4257   6.0148   8.6420   9.2949 -12.1195   7.8893   60.578   21.992   31.757   15.323 28.82099 26.80360 
1 1 1  -18   14   39 o  169.970   7.5175   78.993   6.8028   77.542   10.510   80.039   8.9245  168.481   11.544  171.458   9.6325 -2.976501 15.03499 
1 1 1  -18   14   40 o   62.932   14.200   9.1655   5.9240   18.084   8.9991   2.3451   7.8697   78.824   20.818   47.039   19.316 31.78500 28.39940 
1 1 1  -18   14   41 o  237.225   6.5160  153.743   8.2881  149.723   12.430  156.961   11.121  234.292   9.8178  240.158   8.5699 -5.866104 13.03200 
1 1 1  -18   14   42 o  217.131   6.5776  128.410   7.7000  130.776   11.319  126.373   10.506  218.932   9.5676  215.330   9.0289 3.602402 13.15516 
1 1 1  -18   14   43 o  143.107   8.4219   56.731   6.3778   54.091   9.9559   58.568   8.3058  139.988   13.161  146.227   10.512 -6.239120 16.84389 
1 1 1  -18   14   44 o  287.295   9.0015  225.484   13.974  225.484   13.974   0.0000   0.0000  287.295   9.0015  ?   ?       ?      ? 
1 1 1  -18   14   45 o  153.177   8.0567   64.471   6.5001   65.193   10.447   64.014   8.3030  153.559   12.590  152.795   10.056 0.7635193 16.11348 
1 1 1  -18   14   46 o  253.298   6.3387  176.427   8.5884  169.667   12.960  181.721   11.468  248.691   9.6437  257.904   8.2291 -9.213135 12.67749 
1 1 1  -18   14   47 o  247.140   8.1397  167.044   10.870   0.0000   0.0000  167.044   10.870  ?   ?   247.140   8.1397      ?      ? 
1 1 1  -18   14   48 o   94.450   12.309   25.301   6.0893   32.429   9.3845   20.117   8.0029  106.793   16.262   82.107   18.483 24.68666 24.61888 
1 1 1  -18   14   49 o  124.110   9.6892   42.817   6.4582   48.900   9.7887   38.127   8.5939  131.806   13.744  116.414   13.662 15.39271 19.37845 
1 1 1  -18   14   50 o  205.498   6.8341  116.057   7.5060  119.915   11.574  113.256   9.8607  208.143   10.291  202.853   8.9958 5.290359 13.66821 
1 1 1  -18   14   51 o  147.388   8.5328   61.448   6.6927   57.042   10.156   64.830   8.8978  142.141   13.223  152.635   10.788 -10.49466 17.06552 
1 1 1  -18   14   52 o  185.758   7.2392   95.609   7.2497  101.198   10.707   90.877   9.8517  190.672   10.392  180.843   10.081 9.828384 14.47830 
1 1 1  -18   14   53 o  191.856   9.5653  102.174   9.9166   0.0000   0.0000  102.174   9.9166  ?   ?   191.856   9.5653      ?      ? 
1 1 1  -18   14   54 o  140.247   8.9994   55.474   6.7886   59.027   10.206   52.655   9.0916  144.048   13.111  136.447   12.331 7.600494 17.99875 
1 1 1  -18   14   55 o  132.525   9.7393   50.410   6.9526   53.082   10.336   48.201   9.3961  135.514   14.115  129.537   13.424 5.976776 19.47854 
1 1 1  -18   14   56 o  128.414   9.8213   46.974   6.7462   54.539   10.487   41.632   8.8117  136.885   14.177  119.942   13.596 16.94287 19.64259 
1 1 1  -18   14   57 o   57.071   14.495   9.1513   6.5338  -1.2384   10.331   16.077   8.4349   44.696   20.168   69.446   20.826 -24.74934 28.99060 
1 1 1  -18   14   58 o  172.096   13.295   94.251   11.794   70.923   17.559  113.423   15.919  148.131   21.937  196.062   15.025 -47.93069 26.58906 
1 1 1  -18   14   59 o   70.992   18.872   19.106   10.108   13.687   15.690   22.950   13.217   64.777   26.998   77.207   26.376 -12.43064 37.74385 
1 1 1  -18   14   60 o   93.662   14.863   30.030   7.2978   38.996   11.443   23.885   9.4744  105.810   20.756   81.514   21.281 24.29596 29.72665 
1 1 1  -18   14   61 o  122.892   10.938   46.033   7.1301   52.683   11.457   41.829   9.1090  128.907   16.448  116.876   14.423 12.03155 21.87611 
1 1 1  -18   15    1 o  449.694   8.6518  564.548   19.824  492.342   33.014  605.268   24.792  426.349   14.330  473.040   9.6990 -46.69083 17.30354 
1 1 1  -18   15    2 o  633.716   17.264  1088.96   59.117  1088.96   59.117   0.0000   0.0000  633.716   17.264  ?   ?       ?      ? 
1 1 1  -18   15    3 o  257.574   12.969  179.617   18.051   0.0000   0.0000  179.617   18.051  ?   ?   257.574   12.969      ?      ? 
1 1 1  -18   15    4 o  510.209   8.9075  701.212   23.107  694.557   28.182  714.865   40.364  506.695   10.293  513.722   14.541 -7.027161 17.81491 
1 1 1  -18   15    5 o  516.942   10.208  722.914   28.515   0.0000   0.0000  722.914   28.515  ?   ?   516.942   10.208      ?      ? 
1 1 1  -18   15    6 o  1053.99   12.892  3013.41   73.426  3003.53  103.745  3023.33  103.936  1052.26   18.246  1055.73   18.219 -3.470093 25.78430 
1 1 1  -18   15    7 o  649.975   11.944  1143.37   41.950   0.0000   0.0000  1143.37   41.950  ?   ?   649.975   11.944      ?      ? 
1 1 1  -18   15    8 o  566.647   7.7797  867.941   23.810  837.818   33.088  900.289   34.288  556.460   11.004  576.833   11.000 -20.37311 15.55942 
1 1 1  -18   15    9 o  481.875   7.0022  628.151   18.231  616.478   25.774  639.840   25.791  477.389   9.9911  486.360   9.8134 -8.971588 14.00444 
1 1 1  -18   15   10 o  775.903   13.881  1630.33   58.200   0.0000   0.0000  1630.33   58.200  ?   ?   775.903   13.881      ?      ? 
1 1 1  -18   15   11 o  614.692   11.544  1022.54   38.343   0.0000   0.0000  1022.54   38.343  ?   ?   614.692   11.544      ?      ? 
1 1 1  -18   15   12 o  757.920   9.6625  1553.65   39.542  1503.72   54.623  1608.63   57.317  745.156   13.566  770.685   13.763 -25.52899 19.32491 
1 1 1  -18   15   13 o  426.288   6.7082  491.230   15.445  469.845   21.559  513.776   22.136  416.759   9.5731  435.816   9.3997 -19.05786 13.41636 
1 1 1  -18   15   14 f  803.891   10.157  1750.92   44.120  1736.10   62.273  1765.86   62.519  800.470   14.397  807.312   14.331 -6.841919 20.31379 
1 1 1  -18   15   15 o  195.049   11.087  102.963   11.685   0.0000   0.0000  102.963   11.685  ?   ?   195.049   11.087      ?      ? 
1 1 1  -18   15   16 o  641.034   11.946  1112.42   41.381   0.0000   0.0000  1112.42   41.381  ?   ?   641.034   11.946      ?      ? 
1 1 1  -18   15   18 o  231.794   6.9197  145.236   8.6348  146.897   12.810  143.852   11.690  232.994   10.174  230.594   9.3816 2.400620 13.83945 
1 1 1  -18   15   19 f  251.912   6.6626  171.963   9.0560  164.350   12.959  179.230   12.661  246.442   9.7310  257.383   9.1032 -10.94011 13.32518 
1 1 1  -18   15   20 o  459.999   6.9040  572.741   17.157  569.467   24.480  575.901   24.054  458.698   9.8765  461.300   9.6498 -2.602478 13.80805 
1 1 1  -18   15   22 o  186.137   7.6967   93.911   7.7316   91.456   11.128   96.202   10.750  183.770   11.206  188.503   10.554 -4.733017 15.39349 
1 1 1  -18   15   23 o  391.931   6.5370  416.003   13.836  403.223   19.692  428.465   19.444  385.967   9.4415  397.895   9.0435 -11.92734 13.07390 
1 1 1  -18   15   24 o  255.175   6.6768  177.053   9.1658  161.233   13.142  192.035   12.789  243.998   9.9679  266.352   8.8860 -22.35336 13.35363 
1 1 1  -18   15   25 o  712.045   9.1724  1373.68   35.259  1327.63   48.589  1424.91   51.244  699.487   12.855  724.603   13.087 -25.11688 18.34478 
1 1 1  -18   15   26 o  195.946   7.6861  104.212   8.0992  102.528   12.006  105.618   10.972  194.459   11.425  197.433   10.284 -2.974548 15.37225 
1 1 1  -18   15   27 o  182.823   10.841   90.675   10.686   82.500   14.741   99.730   15.514  174.134   15.666  191.512   14.991 -17.37807 21.68279 
1 1 1  -18   15   28 o  298.056   8.6942  240.871   13.994  233.108   19.382  249.324   20.226  293.051   12.240  303.060   12.351 -10.00888 17.38846 
1 1 1  -18   15   30 o  202.429   13.278  111.487   14.524   0.0000   0.0000  111.487   14.524  ?   ?   202.429   13.278      ?      ? 
1 1 1  -18   15   31 o  250.855   9.7821  176.399   12.869  141.734   19.359  203.851   17.227  227.827   15.725  273.882   11.640 -46.05435 19.56429 
1 1 1  -18   15   32 o   63.364   15.129   9.4355   6.2709   15.057   9.6423   5.3153   8.2552   73.519   22.316   53.210   20.436 20.30903 30.25894 
1 1 1  -18   15   33 o  239.413   6.4469  156.075   8.2692  151.176   12.428  159.967   11.078  235.955   9.7469  242.870   8.4407 -6.914642 12.89372 
1 1 1  -18   15   34 o  142.615   9.0378   57.108   6.7439   47.194   10.339   64.451   8.8973  131.318   14.570  153.913   10.698 -22.59566 18.07570 
1 1 1  -18   15   35 o  175.489   7.4739   83.055   7.0557   93.140   10.573   74.957   9.4737  185.007   10.576  165.971   10.563 19.03635 14.94777 
1 1 1  -18   15   36 o  157.608   8.4113   67.970   7.0635   66.358   10.867   69.149   9.2949  155.855   12.903  159.361   10.794 -3.506531 16.82258 
1 1 1  -18   15   37 f  354.447   6.2786  342.096   12.002  327.590   17.275  355.631   16.686  347.091   9.2107  361.804   8.5350 -14.71332 12.55719 
1 1 1  -18   15   38 o  159.851   8.1318   70.669   6.8818   65.156   10.619   74.660   9.0358  154.204   12.744  165.498   10.104 -11.29393 16.26368 
1 1 1  -18   15   39 o  110.124   11.041   33.811   6.4101   32.100   10.096   34.967   8.2972  107.471   17.384  112.776   13.615 -5.304420 22.08117 
1 1 1  -18   15   40 o  105.048   11.023   30.509   6.1446   30.740   9.6542   30.352   7.9665  105.144   16.992  104.951   14.047 0.1934509 22.04665 
1 1 1  -18   15   41 o  174.520   7.5520   83.694   7.0364   80.838   10.712   85.862   9.3320  171.705   11.545  177.334   9.7386 -5.628723 15.10404 
1 1 1  -18   15   42 o  172.840   7.3539   81.902   6.7648   81.455   10.498   82.220   8.8466  172.227   11.280  173.453   9.4386 -1.226379 14.70779 
1 1 1  -18   15   43 o   74.898   14.366   16.226   5.9358   19.498   9.0979   13.802   7.8325   81.057   20.699   68.739   19.928 12.31882 28.73225 
1 1 1  -18   15   44 f  304.700   6.1376  253.878   10.042  251.656   15.031  255.671   13.496  303.297   9.1710  306.103   8.1591 -2.805267 12.27513 
1 1 1  -18   15   45 o  226.414   6.6908  140.542   8.1158  141.043   12.314  140.158   10.791  226.550   10.058  226.277   8.8257 0.2734833 13.38153 
1 1 1  -18   15   46 o   74.211   14.771   16.097   6.1328   20.083   9.5677   13.317   7.9901   81.326   21.460   67.096   20.302 14.22946 29.54150 
1 1 1  -18   15   47 o   51.959   14.243   4.5012   5.7348   10.015   9.2040   1.0022   7.3319   61.085   21.924   42.834   18.189 18.25104 28.48667 
1 1 1  -18   15   48 o  133.329   9.2272   50.108   6.4730   48.591   10.303   51.097   8.3203  131.065   14.547  135.594   11.356 -4.529465 18.45440 
1 1 1  -18   15   49 o  128.972   9.4208   47.642   6.4019   41.941   9.8246   51.850   8.4397  121.473   14.968  136.471   11.445 -14.99830 18.84158 
1 1 1  -18   15   50 o  120.469   10.382   40.597   6.6810   50.221   10.210   33.391   8.8350  132.916   14.216  108.023   15.136 24.89330 20.76489 
1 1 1  -18   15   51 o   52.229   14.451   5.3808   6.2831  -0.8027   9.5870   10.036   8.3186   45.212   19.976   59.246   20.887 -14.03420 28.90147 
1 1 1  -18   15   52 o   57.012   14.916   7.7227   6.1721   13.549   9.6695   3.7166   8.0181   66.407   22.561   47.618   19.519 18.78892 29.83295 
1 1 1  -18   15   53 f   87.123   14.211   24.319   6.5317   20.323   10.113   27.180   8.5557   79.336   22.533   94.909   17.321 -15.57285 28.42103 
1 1 1  -18   15   54 o   60.539   15.354   10.764   6.5646   6.8658   9.6107   14.173   8.9880   54.369   21.699   66.710   21.729 -12.34098 30.70811 
1 1 1  -18   15   55 o  135.906   9.9439   54.026   7.2200   50.155   10.772   57.184   9.7289  130.609   15.262  141.201   12.751 -10.59184 19.88771 
1 1 1  -18   15   56 o   37.012   12.444  -8.2634   6.6922  -8.7306   10.346  -7.9273   8.7752   38.514   18.300   35.509   16.867 3.004959 24.88741 
1 1 1  -18   15   57 o  398.644   10.280  459.021   21.922  382.207   29.165  558.784   33.238  359.895   14.997  437.393   14.063 -77.49759 20.55900 
1 1 1  -18   15   58 o   62.684   17.540   11.301   9.8903  -3.5631   16.221   20.097   12.478   51.494   23.972   73.875   25.611 -22.38171 35.07936 
1 1 1  -18   15   59 o  123.521   11.423   48.099   7.5101   49.934   11.700   46.813   9.7939  123.974   17.465  123.069   14.727 0.9045334 22.84575 
1 1 1  -18   15   60 o   51.905   15.280   6.4717   7.0015   10.765   11.047   3.5888   9.0517   57.525   23.156   46.285   19.943 11.23997 30.55990 
1 1 1  -18   16    1 o  313.997   6.4462  267.029   10.921  251.535   15.513  282.252   15.377  304.943   9.4141  323.050   8.8086 -18.10693 12.89250 
1 1 1  -18   16    2 o  618.080   10.412  1039.32   32.344  1023.42   57.264  1046.77   39.194  614.272   17.252  621.888   11.663 -7.616638 20.82436 
1 1 1  -18   16    3 o  398.336   9.6140  429.220   20.694  429.220   20.694   0.0000   0.0000  398.336   9.6140  ?   ?       ?      ? 
1 1 1  -18   16    4 o  209.352   9.7070  124.977   10.112  137.415   12.494  101.351   17.219  225.367   10.259  193.337   16.482 32.02916 19.41394 
1 1 1  -18   16    5 f  467.312   9.8668  590.786   24.916   0.0000   0.0000  590.786   24.916  ?   ?   467.312   9.8668      ?      ? 
1 1 1  -18   16    6 o  850.906   10.676  1959.92   49.053  1904.37   67.817  2020.88   71.038  838.297   14.971  863.516   15.224 -25.21844 21.35192 
1 1 1  -18   16    7 o  828.562   10.456  1859.43   46.801  1822.38   65.262  1898.65   67.151  820.080   14.727  837.044   14.846 -16.96478 20.91160 
1 1 1  -18   16    9 o  589.773   8.0729  941.216   25.723  917.689   36.074  965.552   36.690  582.273   11.465  597.274   11.368 -15.00085 16.14576 
1 1 1  -18   16   10 o  352.344   6.5403  336.010   12.429  332.540   18.093  339.109   17.103  350.607   9.5501  354.081   8.9387 -3.473572 13.08064 
1 1 1  -18   16   11 o  192.516   7.9404   98.109   8.1663  116.471   12.755   85.355   10.631  207.441   11.379  177.591   11.078 29.84999 15.88086 
1 1 1  -18   16   12 o  575.306   7.9522  895.877   24.719  887.679   35.097  903.945   34.820  572.686   11.342  577.926   11.150 -5.240356 15.90441 
1 1 1  -18   16   14 o  603.206   11.711  985.050   38.171  985.050   38.171   0.0000   0.0000  603.206   11.711  ?   ?       ?      ? 
1 1 1  -18   16   15 o  586.302   8.0341  930.495   25.451  913.442   35.739  948.041   36.252  580.850   11.387  591.754   11.337 -10.90387 16.06821 
1 1 1  -18   16   16 o  702.665   9.1472  1335.94   34.702  1292.64   47.888  1383.82   50.357  690.708   12.831  714.621   13.041 -23.91315 18.29433 
1 1 1  -18   16   17 f  370.199   6.6342  370.445   13.262  351.945   18.436  390.284   19.091  360.627   9.4606  379.771   9.3030 -19.14444 13.26831 
1 1 1  -18   16   18 o  531.346   7.5035  764.202   21.541  746.138   30.245  782.797   30.686  524.969   10.662  537.722   10.561 -12.75238 15.00702 
1 1 1  -18   16   19 o  366.716   6.5483  364.482   12.956  348.225   18.555  379.950   18.098  358.704   9.5727  374.728   8.9378 -16.02405 13.09658 
1 1 1  -18   16   20 o  128.754   16.291   45.026   11.334   45.026   11.334   0.0000   0.0000  128.754   16.291  ?   ?       ?      ? 
1 1 1  -18   16   21 o  480.067   7.1110  624.132   18.445  614.490   26.085  633.775   26.086  476.350   10.134  483.784   9.9786 -7.434296 14.22210 
1 1 1  -18   16   22 o  403.638   6.6522  441.335   14.502  425.496   20.523  457.131   20.495  396.386   9.5814  410.891   9.2305 -14.50507 13.30437 
1 1 1  -18   16   23 o  257.845   6.6827  180.467   9.2848  165.856   13.188  194.827   13.074  247.446   9.8629  268.244   9.0199 -20.79852 13.36545 
1 1 1  -18   16   24 o  255.138   7.9742  168.835   10.489  152.852   12.778  201.847   18.364  237.529   9.9553  272.747   12.460 -35.21719 15.94849 
1 1 1  -18   16   25 o  152.016   12.208   62.845   10.017   60.225   13.771   65.788   14.597  148.668   17.142  155.364   17.387 -6.695801 24.41688 
1 1 1  -18   16   26 f  260.013   9.0474  182.883   12.657  160.428   17.366  208.333   18.488  243.007   13.225  277.019   12.350 -34.01241 18.09483 
1 1 1  -18   16   27 o  371.789   12.905  375.676   25.926   0.0000   0.0000  375.676   25.926  ?   ?   371.789   12.905      ?      ? 
1 1 1  -18   16   28 o   48.397   21.826  -6.0000   12.081   0.0000   0.0000  -6.0000   12.081  ?   ?    48.397   21.826      ?      ? 
1 1 1  -18   16   29 o  238.895   10.809  163.792   13.218  121.869   20.504  193.604   17.290  210.924   17.989  266.866   11.990 -55.94186 21.61880 
1 1 1  -18   16   30 o  484.290   8.5786  634.608   21.374  627.018   26.385  649.099   36.457  480.590   10.160  487.990   13.825 -7.400208 17.15712 
1 1 1  -18   16   31 o  231.238   6.9070  146.170   8.5694  133.169   12.502  157.691   11.769  221.392   10.450  241.085   9.0340 -19.69319 13.81394 
1 1 1  -18   16   32 o  202.443   7.3242  111.755   7.9053  109.355   12.145  113.519   10.413  200.443   11.213  204.443   9.4261 -4.000626 14.64836 
1 1 1  -18   16   33 o  130.255   10.193   47.296   7.0068   41.696   10.742   51.443   9.2441  123.204   16.135  137.305   12.459 -14.10143 20.38578 
1 1 1  -18   16   34 o   67.057   13.265   11.599   6.2278  -2.9366   9.4130   22.915   8.3055   44.427   19.703   89.686   17.766 -45.25932 26.52978 
1 1 1  -18   16   35 o  184.072   7.4785   93.419   7.2940   85.713   11.211   99.075   9.6048  177.243   11.705  190.900   9.3110 -13.65771 14.95691 
1 1 1  -18   16   36 o   42.751   13.262  -2.2678   5.8996   0.8420   8.8237  -4.7817   7.9336   47.323   20.017   38.178   17.403 9.145626 26.52390 
1 1 1  -18   16   37 o  214.316   6.8676  126.830   7.8231  113.939   11.809  136.911   10.443  204.287   10.698  224.346   8.6144 -20.05885 13.73512 
1 1 1  -18   16   38 o  217.092   6.8005  128.837   7.9338  124.717   11.745  132.295   10.760  213.777   10.167  220.407   9.0344 -6.630234 13.60105 
1 1 1  -18   16   39 o  168.315   7.7270   77.688   6.9493   76.141   10.591   78.858   9.2087  166.676   11.759  169.954   10.027 -3.277954 15.45398 
1 1 1  -18   16   40 o  119.315   9.7707   38.536   6.1870   43.474   9.9265   35.399   7.9119  125.274   14.664  113.355   12.917 11.91859 19.54140 
1 1 1  -18   16   41 o  241.307   6.4223  157.722   8.2982  168.626   12.780  149.772   10.912  248.327   9.5236  234.287   8.6189 14.04083 12.84460 
1 1 1  -18   16   42 o  261.993   6.2950  188.284   8.8244  181.786   13.318  193.369   11.782  257.723   9.5630  266.262   8.1887 -8.538910 12.58996 
1 1 1  -18   16   43 o  257.816   6.3700  182.831   8.7991  172.873   13.112  190.990   11.868  251.155   9.6614  264.477   8.3044 -13.32127 12.73994 
1 1 1  -18   16   44 o  121.620   10.299   41.967   6.6138   38.607   10.255   44.360   8.6541  116.869   16.239  126.370   12.673 -9.500305 20.59876 
1 1 1  -18   16   45 o  234.667   6.4313  149.253   8.0540  162.478   12.609  140.139   10.468  243.138   9.5971  226.197   8.5640 16.94124 12.86256 
1 1 1  -18   16   46 o  115.996   10.312   37.240   6.3957   43.142   9.9659   33.106   8.3396  123.548   14.928  108.445   14.231 15.10268 20.62458 
1 1 1  -18   16   47 o  195.171   7.2128  105.800   7.5431  100.875   11.261  109.808   10.159  190.705   10.928  199.637   9.4172 -8.932098 14.42557 
1 1 1  -18   16   48 o  111.010   10.887   34.903   6.4262   36.599   10.112   33.754   8.3231  112.781   16.592  109.238   14.100 3.543053 21.77442 
1 1 1  -18   16   49 o  156.131   8.3001   69.487   6.8212   61.367   10.518   75.381   8.9613  147.392   13.206  164.870   10.059 -17.47807 16.60028 
1 1 1  -18   16   50 o  187.109   7.2970   96.867   7.3324  102.499   11.113   92.525   9.7578  191.675   10.730  182.543   9.8924 9.131317 14.59393 
1 1 1  -18   16   51 o  150.439   8.8010   64.044   7.0723   63.524   10.810   64.434   9.3511  149.378   13.392  151.500   11.422 -2.121719 17.60199 
1 1 1  -18   16   52 o  318.109   6.4614  279.295   11.026  289.970   16.753  271.138   14.645  323.036   9.5973  313.181   8.6539 9.854706 12.92271 
1 1 1  -18   16   53 o  131.515   10.207   49.801   7.2134   53.397   10.909   47.008   9.6152  135.405   14.910  127.626   13.942 7.778412 20.41319 
1 1 1  -18   16   54 o  195.215   8.0654  110.275   8.3024   93.018   12.475  123.996   11.124  179.999   12.826  210.430   9.7824 -30.43118 16.13074 
1 1 1  -18   16   55 o   57.429   15.360   6.6507   7.0779   18.625   11.071  -1.6265   9.2046   72.784   24.136   42.073   19.006 30.71158 30.72074 
1 1 1  -18   16   57 o   51.254   16.561  -1.5124   10.467 -10.1036   16.560   4.2027   13.507   48.176   22.965   54.333   23.869 -6.157303 33.12278 
1 1 1  -18   16   58 o   55.390   14.990   5.5455   7.1753   21.696   11.206  -5.6761   9.3412   73.580   24.278   37.200   17.591 36.37931 29.98094 
1 1 1  -18   16   59 o   69.304   16.423   17.600   7.1006   19.702   11.506   16.306   9.0238   71.346   24.601   67.261   21.763 4.085213 32.84548 
1 1 1  -18   16   60 o   52.189   16.576   6.1328   9.7976   3.3063   14.124   8.7545   13.603   50.076   22.974   54.301   23.902 -4.225288 33.15298 
1 1 1  -18   17    1 o  461.430   7.2823  576.027   18.130  577.726   26.402  574.511   24.939  462.055   10.574  460.805   10.016 1.250824 14.56469 
1 1 1  -18   17    3 o  880.109   23.079  2108.33  109.758  2108.33  109.758   0.0000   0.0000  880.109   23.079  ?   ?       ?      ? 
1 1 1  -18   17    4 o  436.212   7.1489  509.569   16.712  554.720   25.692  476.453   22.003  452.766   10.501  419.658   9.7030 33.10782 14.29770 
1 1 1  -18   17    5 o  190.268   19.472   98.333   20.020   0.0000   0.0000   98.333   20.020  ?   ?   190.268   19.472      ?      ? 
1 1 1  -18   17    6 o  297.167   9.3781  238.893   15.059   0.0000   0.0000  238.893   15.059  ?   ?   297.167   9.3781      ?      ? 
1 1 1  -18   17    7 o  693.992   9.0746  1304.35   34.030  1290.32   48.006  1318.51   48.245  690.237   12.871  697.747   12.796 -7.509705 18.14920 
1 1 1  -18   17    8 o  279.672   9.9328  211.639   15.011  211.639   15.011   0.0000   0.0000  279.672   9.9328  ?   ?       ?      ? 
1 1 1  -18   17   10 o  188.984   8.1113   96.963   8.2605   91.789   11.917  101.749   11.461  184.100   11.979  193.868   10.940 -9.768875 16.22268 
1 1 1  -18   17   11 o  393.692   9.3365  419.395   19.862   0.0000   0.0000  419.395   19.862  ?   ?   393.692   9.3365      ?      ? 
1 1 1  -18   17   12 o  330.303   9.1268  295.209   16.290   0.0000   0.0000  295.209   16.290  ?   ?   330.303   9.1268      ?      ? 
1 1 1  -18   17   13 o  485.906   7.2129  638.433   18.928  611.226   26.307  667.635   27.254  475.180   10.245  496.631   10.156 -21.45132 14.42589 
1 1 1  -18   17   14 o  605.318   8.2201  992.024   26.882  967.603   37.621  1017.50   38.427  597.706   11.648  612.930   11.602 -15.22406 16.44025 
1 1 1  -18   17   15 o  288.735   6.8240  225.688   10.644  222.279   15.159  229.004   14.949  286.577   9.7889  290.894   9.5104 -4.317169 13.64808 
1 1 1  -18   17   16 o  523.816   7.5369  740.464   21.298  695.382   29.150  792.085   31.193  506.772   10.645  540.860   10.673 -34.08728 15.07384 
1 1 1  -18   17   17 o  618.441   8.3114  1036.37   27.773  1034.02   39.518  1038.67   39.041  617.735   11.839  619.147   11.669 -1.412109 16.62289 
1 1 1  -18   17   18 o  223.954   7.2765  135.793   8.8034  140.336   12.576  131.429   12.328  227.628   10.224  220.279   10.357 7.349411 14.55309 
1 1 1  -18   17   19 o  142.371   9.9056   55.139   7.6063   52.164   10.877   57.987   10.641  138.579   14.525  146.163   13.472 -7.584534 19.81129 
1 1 1  -18   17   20 o  276.881   6.7794  207.935   10.126  195.078   14.381  220.576   14.259  268.357   9.9172  285.405   9.2460 -17.04803 13.55874 
1 1 1  -18   17   21 o  438.199   13.565  521.396   32.120   0.0000   0.0000  521.396   32.120  ?   ?   438.199   13.565      ?      ? 
1 1 1  -18   17   22 o  125.844   14.648   44.576   9.5808   49.324   13.005   38.941   14.168  134.503   17.893  117.185   23.195 17.31856 29.29507 
1 1 1  -18   17   23 o  170.849   11.677   79.510   10.767   79.392   14.859   79.640   15.622  170.751   16.104  170.948   16.912 -0.1978455 23.35302 
1 1 1  -18   17   24 f  467.990   9.9127  595.006   25.053  578.829   34.704  612.612   36.204  461.375   13.920  474.605   14.117 -13.23010 19.82548 
1 1 1  -18   17   25 o  518.023   10.432  730.475   29.192  714.865   40.665  747.072   41.931  512.334   14.689  523.712   14.817 -11.37769 20.86383 
1 1 1  -18   17   26 o  401.596   12.995  438.739   28.200   0.0000   0.0000  438.739   28.200  ?   ?   401.596   12.995      ?      ? 
1 1 1  -18   17   27 o  269.444   9.9282  196.984   14.162  202.049   22.524  193.671   18.213  272.079   15.320  266.810   12.632 5.269043 19.85647 
1 1 1  -18   17   28 o  240.831   10.161  158.752   13.001  155.203   20.203  161.261   16.986  238.304   15.689  243.358   12.917 -5.053848 20.32212 
1 1 1  -18   17   29 o  201.079   7.3330  109.937   7.9512  108.351   11.578  111.353   10.939  199.666   10.731  202.492   9.9971 -2.826218 14.66602 
1 1 1  -18   17   30 o  331.051   6.4191  297.930   11.443  292.519   16.816  302.595   15.616  328.176   9.4828  333.927   8.6542 -5.750671 12.83818 
1 1 1  -18   17   31 o   90.916   13.760   25.342   6.9983   9.1128   10.452   38.530   9.4219   63.231   23.265  118.602   14.701 -55.37101 27.52075 
1 1 1  -18   17   32 o   70.691   15.016   12.829   6.4812   21.051   9.9086   6.6811   8.5684   85.378   21.492   56.003   20.975 29.37485 30.03148 
1 1 1  -18   17   33 o   41.553   13.057  -4.9435   6.2933 -13.7130   9.5638   1.7538   8.3578   35.545   17.079   47.561   19.754 -12.01589 26.11348 
1 1 1  -18   17   34 o  332.904   6.3643  301.775   11.431  291.081   16.435  311.796   15.910  327.112   9.2978  338.696   8.6930 -11.58447 12.72855 
1 1 1  -18   17   35 o  170.051   8.1830   80.467   7.3534   70.871   11.226   87.678   9.7316  160.765   12.923  179.338   10.042 -18.57245 16.36596 
1 1 1  -18   17   36 o   76.144   13.341   17.297   6.2055   5.1002   9.5410   26.239   8.1696   54.855   21.705   97.434   15.517 -42.57925 26.68144 
1 1 1  -18   17   37 o  126.043   10.472   46.138   6.7504   32.269   10.150   57.136   9.0390  107.641   17.451  144.445   11.581 -36.80328 20.94368 
1 1 1  -18   17   38 o  334.695   6.3460  305.917   11.440  297.591   16.737  313.217   15.672  330.278   9.3778  339.113   8.5523 -8.834869 12.69198 
1 1 1  -18   17   39 o  348.338   6.2946  331.647   11.816  323.384   17.235  338.973   16.230  344.093   9.2695  352.584   8.5184 -8.491638 12.58917 
1 1 1  -18   17   40 o  141.661   8.9836   54.667   6.7851   59.961   10.670   51.073   8.7916  147.163   13.418  136.159   11.949 11.00423 17.96719 
1 1 1  -18   17   41 o  230.413   6.7821  145.814   8.3475  142.243   12.718  148.517   11.065  227.680   10.337  233.146   8.7825 -5.465988 13.56421 
1 1 1  -18   17   42 o  225.284   6.6472  139.762   8.0026  134.038   12.111  144.199   10.662  220.908   10.145  229.659   8.5916 -8.751083 13.29447 
1 1 1  -18   17   43 o   62.838   15.030   11.068   6.1991   7.6779   9.2634   13.817   8.3424   57.361   21.738   68.316   20.762 -10.95483 30.05995 
1 1 1  -18   17   44 o  223.213   6.7003  136.800   7.9818  137.776   12.305  136.092   10.488  223.607   10.183  222.819   8.7105 0.7875977 13.40053 
1 1 1  -18   17   45 o  312.031   8.4593  267.101   14.263   0.0000   0.0000  267.101   14.263  ?   ?   312.031   8.4593      ?      ? 
1 1 1  -18   17   46 o  213.419   7.0142  125.770   8.0060  125.812   12.220  125.739   10.597  213.118   10.611  213.720   9.1761 -0.6026459 14.02836 
1 1 1  -18   17   47 o  161.098   8.0832   71.821   6.9375   75.446   10.858   69.320   9.0185  164.145   12.241  158.051   10.560 6.093735 16.16643 
1 1 1  -18   17   48 o   50.876   14.409   4.9894   6.0550   2.4398   9.4230   6.7825   7.9023   48.894   20.683   52.857   20.067 -3.963135 28.81800 
1 1 1  -18   17   49 o  110.294   11.425   35.232   6.6671   35.897   10.568   34.792   8.5932  110.374   17.718  110.215   14.429 0.1587906 22.85015 
1 1 1  -18   17   50 o  190.698   7.7500  103.424   7.8171   91.420   11.885  112.577   10.378  179.983   12.220  201.413   9.5353 -21.42995 15.50009 
1 1 1  -18   17   51 o  218.676   6.9629  130.351   8.0974  148.981   12.912  118.276   10.395  230.942   10.347  206.411   9.3201 24.53099 13.92576 
1 1 1  -18   17   52 o   97.407   13.546   29.081   6.8212   34.061   10.529   25.480   8.9545  104.502   19.358   90.312   18.953 14.18991 27.09176 
1 1 1  -18   17   53 o  147.367   9.2953   62.695   7.3332   62.229   11.105   63.056   9.7649  146.212   14.056  148.523   12.167 -2.311905 18.59063 
1 1 1  -18   17   54 o   40.427   13.243  -5.2055   6.7188  -0.5500   10.601  -8.3313   8.6863   45.856   20.583   34.998   16.669 10.85817 26.48642 
1 1 1  -18   17   56 o   53.896   16.805   3.1153   9.9527  -8.8874   17.047   9.3221   12.259   49.351   23.462   58.441   24.066 -9.089672 33.61000 
1 1 1  -18   17   57 o   42.112   13.663  -1.2840   6.9673   0.1798   10.748  -2.3447   9.1498   44.591   20.299   39.634   18.295 4.956318 27.32674 
1 1 1  -18   17   58 o   58.363   15.838   10.991   6.9878   15.140   10.744   7.9492   9.1990   64.191   23.592   52.534   21.136 11.65796 31.67559 
1 1 1  -18   17   59 o   47.624   15.529   1.0502   9.2000   4.5023   13.937  -1.6158   12.248   50.852   23.136   44.396   20.722 6.456951 31.05893 
1 1 1  -18   18    1 o  170.416   8.5229   78.764   7.7628   64.163   10.753   94.654   11.218  153.870   12.933  186.962   11.104 -33.09207 17.04580 
1 1 1  -18   18    3 o  843.578   10.682  1929.84   48.680  1892.51   67.947  1969.20   69.779  835.213   15.055  851.943   15.157 -16.73065 21.36360 
1 1 1  -18   18    4 o  475.718   15.708  614.189   40.380  614.189   40.380   0.0000   0.0000  475.718   15.708  ?   ?       ?      ? 
1 1 1  -18   18    5 o  485.383   10.196  637.745   26.742   0.0000   0.0000  637.745   26.742  ?   ?   485.383   10.196      ?      ? 
1 1 1  -18   18    6 o  777.774   12.461  1592.19   47.461  1526.30   55.757  1765.54   90.433  750.322   13.752  805.225   20.784 -54.90265 24.92140 
1 1 1  -18   18    7 o  318.253   9.5169  274.102   16.367   0.0000   0.0000  274.102   16.367  ?   ?   318.253   9.5169      ?      ? 
1 1 1  -18   18    8 o  638.823   8.5799  1102.46   29.568  1053.74   40.411  1158.59   43.378  623.696   11.991  653.950   12.275 -30.25421 17.15990 
1 1 1  -18   18    9 o  180.850   8.4836   88.527   8.2847   90.463   11.989   86.757   11.461  182.735   12.142  178.964   11.852 3.770828 16.96718 
1 1 1  -18   18   10 o  166.684   9.0041   75.363   8.1021   78.578   11.399   72.081   11.518  170.293   12.387  163.075   13.071 7.218414 18.00823 
1 1 1  -18   18   11 f   79.520   15.517   17.171   7.2316   9.6036   9.9856   25.518   10.487   64.093   22.853   94.947   20.997 -30.85371 31.03485 
1 1 1  -18   18   12 o  600.806   8.2163  975.656   26.634  937.465   36.458  1019.37   39.003  588.249   11.469  613.363   11.768 -25.11426 16.43251 
1 1 1  -18   18   13 o  470.596   9.9998  599.687   25.429   0.0000   0.0000  599.687   25.429  ?   ?   470.596   9.9998      ?      ? 
1 1 1  -18   18   14 f  564.814   7.9271  864.329   24.189  839.428   33.949  890.004   34.473  556.542   11.289  573.087   11.132 -16.54517 15.85415 
1 1 1  -18   18   15 o  280.010   6.7749  212.249   10.222  213.420   15.052  211.247   13.925  280.702   9.9235  279.317   9.2260 1.385345 13.54971 
1 1 1  -18   18   16 o  214.296   7.6181  124.779   8.7840  120.456   12.903  128.514   11.992  210.792   11.328  217.799   10.189 -7.006195 15.23619 
1 1 1  -18   18   17 o  770.057   9.9080  1610.18   41.223  1582.03   57.755  1639.43   58.857  763.199   14.004  776.916   14.020 -13.71698 19.81599 
1 1 1  -18   18   18 o  277.456   8.2881  209.558   12.120  212.393   15.573  205.203   19.304  279.966   10.294  274.947   12.993 5.018311 16.57620 
1 1 1  -18   18   19 o  312.379   8.8656  265.038   14.951  277.027   21.091  252.928   21.198  319.521   12.216  305.237   12.852 14.28400 17.73118 
1 1 1  -18   18   20 o  100.178   18.233   28.737   9.9289   27.568   14.399   29.797   13.709   98.300   26.504  102.055   25.046 -3.754341 36.46593 
1 1 1  -18   18   21 o  298.067   9.0268  241.237   14.533  251.577   20.762  231.306   20.348  304.343   12.625  291.790   12.905 12.55276 18.05368 
1 1 1  -18   18   22 o  256.575   9.3524  178.669   12.914  201.937   18.695  157.432   17.861  272.588   12.692  240.562   13.740 32.02547 18.70481 
1 1 1  -18   18   23 o  201.352   8.7951  108.288   9.1325  116.577   15.679  104.032   11.235  206.915   14.023  195.789   10.619 11.12621 17.59027 
1 1 1  -18   18   24 f  191.990   11.326   96.207   10.097  109.549   21.026   92.208   11.511  199.764   19.478  184.217   11.564 15.54662 22.65189 
1 1 1  -18   18   25 o  255.952   10.055  178.567   13.733  178.919   21.167  178.311   18.047  255.987   15.302  255.917   13.050 0.7044983E-01 20.11098 
1 1 1  -18   18   26 f  329.536   9.7405  294.598   17.088  304.730   26.749  287.613   22.211  334.063   14.818  325.010   12.647 9.052673 19.48094 
1 1 1  -18   18   27 o  406.248   6.7994  448.175   14.919  445.791   21.392  450.433   20.819  405.164   9.7707  407.333   9.4583 -2.169373 13.59874 
1 1 1  -18   18   28 o  187.607   7.8416   96.158   7.9117   91.315   11.586  100.390   10.830  183.084   11.711  192.129   10.431 -9.045151 15.68321 
1 1 1  -18   18   29 o  202.231   7.5486  111.186   8.1980  112.373   12.326  110.244   10.978  203.120   11.230  201.342   10.090 1.777924 15.09726 
1 1 1  -18   18   30 o  155.599   8.7373   66.305   7.2768   64.144   10.974   68.001   9.7217  153.213   13.254  157.985   11.388 -4.771942 17.47463 
1 1 1  -18   18   31 o  246.066   9.3762  164.600   12.467   0.0000   0.0000  164.600   12.467  ?   ?   246.066   9.3762      ?      ? 
1 1 1  -18   18   32 f  363.016   6.5355  357.935   12.778  364.538   18.926  352.404   17.322  366.000   9.5696  360.031   8.9035 5.969452 13.07094 
1 1 1  -18   18   33 o  286.143   6.4808  223.111   9.9859  219.677   14.684  226.066   13.620  283.998   9.5687  288.288   8.7431 -4.290680 12.96151 
1 1 1  -18   18   34 o  190.878   7.8826  100.836   8.0265   87.297   11.751  112.676   10.989  178.501   12.183  203.254   10.006 -24.75288 15.76521 
1 1 1  -18   18   35 o   96.899   13.287   27.326   6.6904   23.217   10.218   30.409   8.8515   88.978   21.493  104.821   15.627 -15.84322 26.57403 
1 1 1  -18   18   36 o  196.076   7.3743  105.829   7.7321   99.057   11.577  111.281   10.389  190.185   11.265  201.967   9.5192 -11.78206 14.74858 
1 1 1  -18   18   37 o   63.254   14.979   10.922   6.2239   6.3313   9.6493   14.192   8.1446   56.606   21.996   69.903   20.337 -13.29750 29.95716 
1 1 1  -18   18   38 o  249.079   6.5987  168.484   8.8228  178.853   13.413  160.576   11.714  255.671   9.7087  242.486   8.9395 13.18428 13.19747 
1 1 1  -18   18   39 o  142.397   9.3342   56.341   7.0513   55.046   10.996   57.245   9.1895  140.656   14.467  144.138   11.798 -3.482788 18.66838 
1 1 1  -18   18   40 o   38.517   12.440  -5.5755   5.9621 -12.2905   9.3332  -0.9462   7.7494   35.412   16.977   41.622   18.187 -6.210438 24.87977 
1 1 1  -18   18   41 o   78.700   14.631   18.864   6.2863   16.507   9.8544   20.482   8.1629   74.274   22.563   83.126   18.634 -8.851822 29.26262 
1 1 1  -18   18   42 o   79.788   14.577   18.047   6.2363   25.299   10.275   13.819   7.8466   91.398   21.214   68.178   19.998 23.21989 29.15379 
1 1 1  -18   18   43 o  225.928   6.8148  141.666   8.2269  130.698   12.287  150.581   11.076  217.569   10.451  234.286   8.7492 -16.71643 13.62960 
1 1 1  -18   18   44 o  228.712   6.8025  145.535   8.3036  133.951   12.446  154.828   11.147  220.012   10.469  237.412   8.6892 -17.39973 13.60491 
1 1 1  -18   18   45 o   95.670   12.998   27.563   6.4806   23.348   9.7243   30.930   8.6921   87.147   20.916  104.194   15.438 -17.04666 25.99648 
1 1 1  -18   18   46 o  116.281   10.840   38.673   6.6465   38.751   10.597   38.623   8.5337  115.652   16.957  116.909   13.508 -1.257179 21.67961 
1 1 1  -18   18   47 o   61.196   14.784   10.523   6.3651   3.4260   9.5920   16.108   8.5085   50.430   21.072   71.963   20.743 -21.53227 29.56859 
1 1 1  -18   18   48 o  180.517   7.9492   90.192   7.6694   98.925   11.941   84.060   10.006  187.542   11.783  173.493   10.673 14.04906 15.89842 
1 1 1  -18   18   49 o  224.098   7.1285  140.846   8.4913  133.117   13.023  146.562   11.199  218.045   11.053  230.151   9.0050 -12.10593 14.25699 
1 1 1  -18   18   50 o  140.247   9.6418   58.000   7.0538   47.432   10.767   65.947   9.3366  127.452   15.633  153.042   11.290 -25.59022 19.28350 
1 1 1  -18   18   51 o   56.128   14.929   5.5242   6.7683   16.534   10.341  -2.7277   8.9524   71.106   23.314   41.151   18.652 29.95585 29.85704 
1 1 1  -18   18   52 o  111.123   11.938   36.964   7.1223   40.227   10.837   34.483   9.4496  115.010   17.438  107.237   16.307 7.773674 23.87502 
1 1 1  -18   18   53 o  144.897   14.518   65.500   9.2977   70.518   19.019   63.925   10.658  141.610   25.805  148.184   13.310 -6.574402 29.03584 
1 1 1  -18   18   54 f  247.611   12.530  184.351   14.465   84.527   19.098  318.694   22.155  161.879   21.833  333.343   12.300 -171.4642 25.05907 
1 1 1  -18   18   55 o  140.104   15.925   67.166   10.915   65.360   18.639   68.108   13.465  131.895   27.059  148.313   16.802 -16.41808 31.85087 
1 1 1  -18   18   56 o   61.959   16.274   13.981   7.1251   15.358   11.564   13.139   9.0460   63.456   24.231   60.461   21.731 2.995167 32.54795 
1 1 1  -18   18   57 o   49.670   14.960   3.5950   7.0292   11.764   11.343  -1.4975   8.9561   58.896   23.550   40.444   18.457 18.45190 29.92094 
1 1 1  -18   19    1 o  646.862   12.214  1134.45   42.693   0.0000   0.0000  1134.45   42.693  ?   ?   646.862   12.214      ?      ? 
1 1 1  -18   19    2 o  535.323   7.6776  776.039   22.204  759.736   31.006  793.200   31.812  529.558   10.835  541.089   10.880 -11.53101 15.35526 
1 1 1  -18   19    3 o   46.226   20.634  -4.3056   10.496  -4.3056   10.496   0.0000   0.0000   46.226   20.634  ?   ?       ?      ? 
1 1 1  -18   19    4 o  190.131   8.2463   97.825   8.4570  100.468   12.402   95.527   11.562  192.514   11.922  187.748   11.397 4.766464 16.49267 
1 1 1  -18   19    5 o  312.252   9.6505  264.116   14.000  265.540   28.318  263.656   16.106  312.458   16.772  312.047   9.5516 0.4108582 19.30109 
1 1 1  -18   19    6 o  260.321   7.4131  183.630   10.425  188.586   14.720  178.645   14.765  263.855   10.324  256.786   10.641 7.069122 14.82623 
1 1 1  -18   19    7 o  108.552   31.432   33.333   19.496   0.0000   0.0000   33.333   19.496  ?   ?   108.552   31.432      ?      ? 
1 1 1  -18   19    8 o  291.254   6.9960  229.124   10.995  242.513   16.075  217.354   15.072  299.224   9.9416  283.285   9.8458 15.93927 13.99199 
1 1 1  -18   19   10 o  225.589   7.4373  137.250   9.0443  128.106   12.292  148.044   13.355  217.438   10.462  233.739   10.574 -16.30164 14.87456 
1 1 1  -18   19   11 o  332.101   9.1901  298.656   16.492   0.0000   0.0000  298.656   16.492  ?   ?   332.101   9.1901      ?      ? 
1 1 1  -18   19   12 o  335.317   6.7175  304.599   12.166  301.831   17.425  307.233   16.994  333.816   9.6598  336.818   9.3373 -3.001678 13.43493 
1 1 1  -18   19   13 o  340.757   7.9926  309.699   14.043  298.356   17.281  331.757   24.097  331.882   9.6358  349.632   12.754 -17.74966 15.98516 
1 1 1  -18   19   14 o  208.593   9.1469  117.151   10.182  112.325   13.273  124.054   15.873  203.478   12.072  213.708   13.746 -10.23010 18.29390 
1 1 1  -18   19   15 o  469.516   9.8135  598.790   24.893  606.757   35.657  591.216   34.766  472.545   13.964  466.487   13.792 6.058319 19.62708 
1 1 1  -18   19   16 o  602.973   11.509  989.364   37.473  966.441   51.858  1014.41   54.211  595.719   16.110  610.226   16.440 -14.50665 23.01729 
1 1 1  -18   19   17 o  337.645   8.9078  303.865   16.095  267.568   21.069  354.730   24.941  313.906   12.421  361.384   12.772 -47.47845 17.81564 
1 1 1  -18   19   18 o  162.708   12.373   74.249   10.381  100.248   14.764   48.829   14.599  191.941   14.235  133.476   20.241 58.46449 24.74539 
1 1 1  -18   19   19 o  246.651   8.0155  160.272   10.286  182.995   17.498  148.275   12.714  259.487   12.479  233.816   10.063 25.67114 16.03097 
1 1 1  -18   19   20 o  223.471   7.5246  135.320   9.0706  139.198   13.296  131.943   12.406  226.439   10.866  220.502   10.412 5.936798 15.04926 
1 1 1  -18   19   21 o  241.672   7.0495  158.955   9.1776  148.311   13.184  168.963   12.783  233.749   10.438  249.595   9.4782 -15.84558 14.09904 
1 1 1  -18   19   22 o  162.965   12.785   69.086   9.7232   80.360   20.178   65.677   11.096  170.629   21.885  155.300   13.223 15.32913 25.56938 
1 1 1  -18   19   23 o   76.624   20.143   12.958   11.427   2.5901   19.166   18.676   14.233   70.126   29.572   83.122   27.357 -12.99641 40.28554 
1 1 1  -18   19   24 o   76.143   18.991   10.977   11.445  -9.6937   17.682   25.878   15.013   57.364   26.083   94.923   27.610 -37.55857 37.98230 
1 1 1  -18   19   25 o  243.346   8.3989  158.497   10.824  148.129   13.805  175.045   17.441  233.342   10.948  253.349   12.740 -20.00722 16.79777 
1 1 1  -18   19   26 o   98.714   13.920   27.806   7.1403   28.542   10.613   27.198   9.6515   99.775   20.373   97.653   18.974 2.121223 27.84008 
1 1 1  -18   19   27 o  150.076   9.3259   61.397   7.5545   64.582   10.999   58.553   10.394  153.746   13.239  146.406   13.139 7.339676 18.65177 
1 1 1  -18   19   28 o  253.562   6.8855  174.903   9.4217  172.592   13.630  177.017   13.038  251.913   10.013  255.212   9.4544 -3.299637 13.77096 
1 1 1  -18   19   29 o  180.962   7.9034   89.312   7.6670   88.999   11.583   89.557   10.228  180.576   11.871  181.349   10.438 -0.7732544 15.80683 
1 1 1  -18   19   30 o   50.072   14.607   1.7654   6.5832  -2.5070   9.5291   5.6663   9.1054   45.056   19.911   55.088   21.378 -10.03168 29.21413 
1 1 1  -18   19   31 o  294.905   8.7641  236.589   13.966   0.0000   0.0000  236.589   13.966  ?   ?   294.905   8.7641      ?      ? 
1 1 1  -18   19   32 o  197.092   7.6608  106.935   8.0853   98.387   11.957  114.137   10.975  189.605   11.670  204.579   9.9277 -14.97458 15.32158 
1 1 1  -18   19   33 o  230.542   9.3077  144.843   11.595   0.0000   0.0000  144.843   11.595  ?   ?   230.542   9.3077      ?      ? 
1 1 1  -18   19   34 o  162.570   8.4811   72.205   7.3996   74.993   11.222   70.059   9.8427  165.215   12.569  159.925   11.390 5.289505 16.96211 
1 1 1  -18   19   35 o  346.853   8.8996  328.137   16.680   0.0000   0.0000  328.137   16.680  ?   ?   346.853   8.8996      ?      ? 
1 1 1  -18   19   36 f  168.915   8.3225   78.445   7.5516   79.112   11.329   77.911   10.131  169.399   12.376  168.430   11.131 0.9686737 16.64505 
1 1 1  -18   19   37 o   54.756   13.613   3.8632   6.3080  -9.9723   9.3631   15.362   8.5360   37.251   17.614   72.261   20.761 -35.00977 27.22687 
1 1 1  -18   19   38 o  213.023   7.1672  125.992   8.1203  114.164   12.263  135.227   10.836  203.676   11.142  222.370   9.0182 -18.69411 14.33444 
1 1 1  -18   19   39 f  248.912   6.6826  170.727   8.9210  161.843   13.243  178.108   12.071  242.696   10.098  255.128   8.7557 -12.43210 13.36521 
1 1 1  -18   19   40 o  129.947   10.018   46.306   6.9553   56.874   10.714   38.607   9.1444  142.576   13.906  117.317   14.425 25.25889 20.03612 
1 1 1  -18   19   41 o  115.857   10.837   38.712   6.5680   33.953   10.258   42.018   8.5503  108.957   17.424  122.756   12.890 -13.79846 21.67326 
1 1 1  -18   19   42 o  103.997   13.004   33.502   6.7540   24.978   10.678   39.187   8.7199   89.907   22.129  118.087   13.665 -28.18032 26.00813 
1 1 1  -18   19   43 o  291.197   6.6257  233.632   10.323  233.378   15.725  233.825   13.685  290.660   10.012  291.734   8.6808 -1.073486 13.25144 
1 1 1  -18   19   44 o  166.957   8.2073   75.267   7.2775   92.354   11.674   64.407   9.3072  181.836   11.881  152.079   11.326 29.75714 16.41460 
1 1 1  -18   19   45 o  182.841   7.9187   94.052   7.6970   88.418   11.777   98.253   10.169  177.431   12.284  188.251   9.9969 -10.81952 15.83750 
1 1 1  -18   19   46 o  124.388   10.663   43.950   7.0961   48.271   10.997   40.868   9.2884  129.222   15.750  119.554   14.378 9.667923 21.32515 
1 1 1  -18   19   47 f  157.899   8.8253   70.499   7.3301   70.477   11.766   70.513   9.3710  157.057   13.863  158.741   10.925 -1.684494 17.65060 
1 1 1  -18   19   48 o   80.877   15.285   20.662   6.7337   22.304   10.484   19.509   8.7856   83.066   22.707   78.689   20.468 4.376389 30.57010 
1 1 1  -18   19   49 o   88.577   14.247   25.345   6.8408   18.988   10.297   30.367   9.1528   75.903   23.065  101.252   16.729 -25.34914 28.49311 
1 1 1  -18   19   50 o   52.281   14.746   5.8095   6.5055   0.9677   9.9063   9.4810   8.6264   47.073   20.566   57.490   21.138 -10.41649 29.49222 
1 1 1  -18   19   51 o   41.485   13.410  -4.1264   6.6527   1.6426   10.397  -8.1259   8.6569   47.849   20.983   35.121   16.703 12.72737 26.81957 
1 1 1  -18   19   52 o   86.991   20.120   27.787   10.577   34.482   17.577   23.986   13.243   92.907   30.393   81.074   26.374 11.83310 40.24037 
1 1 1  -18   19   53 o  140.865   17.510   75.886   11.903   38.198   18.850  100.878   15.351   97.264   31.453  184.465   15.400 -87.20147 35.02057 
1 1 1  -18   19   54 o  125.099   14.575   51.436   9.2271   33.318   12.147   76.149   14.187   94.875   23.749  155.322   16.903 -60.44695 29.15034 
1 1 1  -18   19   55 o   71.803   16.594   19.805   7.5154   16.838   12.040   21.699   9.6195   66.325   24.860   77.280   21.987 -10.95441 33.18772 
1 1 1  -18   19   56 o  121.201   13.277   49.983   8.0915   41.760   12.459   55.981   10.641  107.525   22.179  134.876   14.600 -27.35072 26.55334 
1 1 1  -18   20    3 o  121.322   16.190   40.061   10.614   40.061   10.614   0.0000   0.0000  121.322   16.190  ?   ?       ?      ? 
1 1 1  -18   20    4 o  321.774   6.8582  280.732   11.910  274.755   17.171  286.272   16.533  318.446   9.9785  325.102   9.4110 -6.655792 13.71631 
1 1 1  -18   20    6 o  554.454   10.270  842.065   28.373  818.694   50.832  852.641   34.196  548.164   17.161  560.744   11.285 -12.58002 20.53914 
1 1 1  -18   20    7 o  305.205   13.111  252.928   21.622   0.0000   0.0000  252.928   21.622  ?   ?   305.205   13.111      ?      ? 
1 1 1  -18   20    8 o  419.645   10.262  477.272   23.271  477.272   23.271   0.0000   0.0000  419.645   10.262  ?   ?       ?      ? 
1 1 1  -18   20    9 o  258.688   9.0737  181.824   12.671  184.932   17.616  178.491   18.238  261.014   12.490  256.362   13.166 4.652374 18.14745 
1 1 1  -18   20   10 o  287.440   8.8353  224.162   13.715  220.270   19.020  228.378   19.796  284.857   12.357  290.022   12.632 -5.164795 17.67053 
1 1 1  -18   20   11 o  104.971   16.881   31.888   9.4218   38.356   13.028   24.797   13.642  116.521   21.483   93.420   26.046 23.10014 33.76240 
1 1 1  -18   20   12 o  411.587   9.3085  460.274   20.698  456.757   28.927  463.964   29.629  409.996   13.057  413.179   13.271 -3.183319 18.61701 
1 1 1  -18   20   13 o  293.607   8.8889  234.141   14.101  238.964   20.141  229.505   19.748  296.572   12.568  290.642   12.574 5.929993 17.77788 
1 1 1  -18   20   14 f  634.231   11.962  1098.10   40.990  1113.51   58.589  1083.33   57.367  638.563   16.979  629.899   16.854 8.663940 23.92400 
1 1 1  -18   20   15 o  386.134   12.764  405.405   26.634  405.405   26.634   0.0000   0.0000  386.134   12.764  ?   ?       ?      ? 
1 1 1  -18   20   16 o  238.477   10.199  154.313   13.143   0.0000   0.0000  154.313   13.143  ?   ?   238.477   10.199      ?      ? 
1 1 1  -18   20   17 o   73.089   16.474   14.388   7.4701   10.449   10.732   18.090   10.404   66.219   23.684   79.959   22.905 -13.73949 32.94818 
1 1 1  -18   20   18 o  265.609   7.0588  191.857   10.097  185.904   14.766  197.085   13.837  261.676   10.443  269.543   9.5004 -7.866638 14.11766 
1 1 1  -18   20   19 o  181.044   8.7565   89.912   8.4780   75.840   12.071  103.609   11.910  166.843   13.389  195.245   11.288 -28.40173 17.51296 
1 1 1  -18   20   20 o  372.579   9.3463  390.855   16.630  350.901   31.277  406.602   19.635  358.070   16.165  387.087   9.3872 -29.01758 18.69265 
1 1 1  -18   20   21 o  310.341   10.410  262.087   17.245  270.496   26.715  256.081   22.580  314.337   15.728  306.344   13.640 7.993774 20.81910 
1 1 1  -18   20   22 o  245.692   11.221  168.490   14.595  146.036   22.005  186.126   19.502  230.381   17.676  261.003   13.828 -30.62253 22.44238 
1 1 1  -18   20   23 o  351.085   8.3020  334.528   15.004  331.355   18.544  340.541   25.528  349.138   9.8294  353.032   13.382 -3.894287 16.60397 
1 1 1  -18   20   24 o  129.366   10.873   45.982   7.5562   45.109   11.250   46.700   10.199  128.133   16.248  130.600   14.452 -2.467316 21.74550 
1 1 1  -18   20   25 o  186.104   8.2568   94.832   8.2611   85.101   11.799  104.189   11.570  176.598   12.365  195.611   10.946 -19.01256 16.51365 
1 1 1  -18   20   26 o  199.267   7.7223  107.513   8.2895  117.740   12.307   99.019   11.215  207.883   10.955  190.651   10.886 17.23181 15.44467 
1 1 1  -18   20   27 o  393.323   6.8267  421.109   14.501  404.063   20.481  438.242   20.534  385.286   9.8374  401.360   9.4678 -16.07434 13.65340 
1 1 1  -18   20   28 o  189.973   8.0937   99.377   8.2406   88.027   11.926  109.747   11.399  179.347   12.306  200.599   10.516 -21.25208 16.18742 
1 1 1  -18   20   29 o   54.520   15.386   3.6072   6.9345   8.7773   10.556  -0.3173   9.1972   62.380   23.298   46.660   20.104 15.71933 30.77250 
1 1 1  -18   20   30 o  153.454   9.0126   64.689   7.4345   63.891   11.052   65.349   10.047  152.461   13.416  154.447   12.039 -1.986099 18.02527 
1 1 1  -18   20   31 o  195.980   10.035  104.829   10.627   0.0000   0.0000  104.829   10.627  ?   ?   195.980   10.035      ?      ? 
1 1 1  -18   20   32 o  183.278   8.1954   93.588   7.9622   82.103   12.011  102.592   10.635  172.776   12.865  193.781   10.156 -21.00491 16.39071 
1 1 1  -18   20   33 o  223.177   7.1656  135.958   8.6119  139.710   12.788  132.844   11.650  225.893   10.476  220.460   9.7791 5.433350 14.33120 
1 1 1  -18   20   34 o   92.986   13.834   26.623   6.7345   17.677   10.545   32.785   8.7518   77.417   23.301  108.555   14.920 -31.13834 27.66789 
1 1 1  -18   20   35 o  127.069   10.849   46.428   7.2022   35.501   10.644   55.655   9.7811  112.226   17.552  141.912   12.755 -29.68568 21.69741 
1 1 1  -18   20   36 o   63.845   15.548   10.862   6.7878   5.4255   10.208   15.171   9.0879   55.855   22.338   71.835   21.633 -15.97969 31.09684 
1 1 1  -18   20   37 o   66.239   15.678   11.308   6.6420   17.755   10.573   7.1050   8.5367   76.971   23.369   55.507   20.908 21.46411 31.35680 
1 1 1  -18   20   38 o  106.416   12.551   34.589   6.6699   24.127   10.137   42.575   8.8571   89.262   21.311  123.570   13.264 -34.30795 25.10217 
1 1 1  -18   20   39 o   98.226   13.529   30.331   6.7799   19.939   10.568   37.600   8.8386   80.657   23.079  115.796   14.125 -35.13967 27.05852 
1 1 1  -18   20   40 o  158.752   8.7554   69.762   7.4424   74.005   11.445   66.652   9.7968  162.643   13.022  154.860   11.707 7.783020 17.51090 
1 1 1  -18   20   41 o   69.361   15.424   14.435   6.3747   14.924   9.9803   14.098   8.2849   70.371   22.896   68.352   20.672 2.018997 30.84711 
1 1 1  -18   20   42 o   68.785   15.646   14.366   6.6830   11.496   10.140   16.571   8.8864   64.109   23.011   73.461   21.206 -9.352173 31.29177 
1 1 1  -18   20   43 o  140.331   9.6967   56.870   7.1465   49.609   11.021   62.139   9.3879  131.553   15.503  149.108   11.651 -17.55498 19.39347 
1 1 1  -18   20   44 o  205.463   7.5922  118.247   8.3499  112.539   12.508  122.834   11.214  200.478   11.546  210.448   9.8615 -9.970505 15.18438 
1 1 1  -18   20   45 f   68.507   15.662   14.741   6.6578   12.473   10.198   16.425   8.7892   64.797   23.096   72.217   21.160 -7.420433 31.32372 
1 1 1  -18   20   46 o   76.327   15.788   18.690   6.9328   17.545   10.234   19.661   9.4248   74.037   23.084   78.616   21.546 -4.579369 31.57655 
1 1 1  -18   20   47 o   96.549   14.010   28.631   6.9868   32.224   10.899   26.124   9.1031  101.210   20.629   91.888   18.962 9.321655 28.02030 
1 1 1  -18   20   48 o   48.126   13.341  -2.9755   6.7997 -23.8946   10.213   13.679   9.1129   30.537   15.238   65.716   21.903 -35.17904 26.68175 
1 1 1  -18   20   49 o   77.562   15.836   20.225   7.0646   17.611   10.485   22.399   9.5608   72.473   23.459   82.652   21.280 -10.17860 31.67275 
1 1 1  -18   20   50 o   52.449   15.122   3.9626   7.0254   13.316   10.973  -2.5340   9.1453   63.861   23.773   41.036   18.697 22.82511 30.24477 
1 1 1  -18   20   51 o   86.266   16.728   27.514   11.298 -10.4527   19.147   47.793   13.993   52.342   24.878  120.191   22.369 -67.84917 33.45555 
1 1 1  -18   20   52 o   45.746   15.512 -12.6584   10.371  -5.6036   17.208 -16.6824   12.996   52.218   24.435   39.273   19.117 12.94555 31.02454 
1 1 1  -18   20   53 o  119.121   13.032   47.681   7.9713   41.154   11.868   53.046   10.760  107.838   21.122  130.405   15.269 -22.56673 26.06316 
1 1 1  -18   20   54 o   43.518   13.742  -5.5444   7.0640   9.4771   10.912 -16.3796   9.2678   56.184   22.871   30.852   15.241 25.33201 27.48389 
1 1 1  -18   20   55 o   49.874   16.049   1.5231   9.3629  -4.4254   12.152   10.214   14.688   42.745   20.167   57.003   24.970 -14.25790 32.09727 
1 1 1  -18   21    1 o  245.897   8.7491  162.283   11.530  194.820   17.317  136.374   15.453  267.811   11.966  223.984   12.767 43.82675 17.49817 
1 1 1  -18   21    2 o  347.582   8.5395  328.103   16.035  338.063   22.868  318.468   22.492  352.783   11.996  342.382   12.157 10.40128 17.07897 
1 1 1  -18   21    3 o  283.101   8.4361  217.308   12.893  208.986   17.761  226.577   18.745  277.392   11.849  288.810   12.011 -11.41736 16.87219 
1 1 1  -18   21    4 o  239.610   8.8851  156.081   11.501  158.221   16.141  153.874   16.391  241.300   12.379  237.921   12.749 3.379059 17.77012 
1 1 1  -18   21    5 o  121.173   14.171   41.392   8.9243   48.761   12.494   33.716   12.752  133.585   17.308  108.761   22.442 24.82410 28.34118 
1 1 1  -18   21    6 o  333.798   8.8480  302.184   15.924  312.387   23.461  293.468   21.683  338.964   12.809  328.633   12.210 10.33051 17.69608 
1 1 1  -18   21    7 o  125.984   19.038   43.491   12.960   0.0000   0.0000   43.491   12.960  ?   ?   125.984   19.038      ?      ? 
1 1 1  -18   21    8 o  241.663   12.855  158.829   16.787  158.829   16.787   0.0000   0.0000  241.663   12.855  ?   ?       ?      ? 
1 1 1  -18   21    9 o  120.115   15.922   52.561   11.350   84.775   14.203  -4.3559   18.879  176.337   14.905   63.893   28.140 112.4440 31.84419 
1 1 1  -18   21   10 o  536.235   7.8892  780.974   22.854  757.641   32.228  804.575   32.412  528.144   11.293  544.326   11.019 -16.18158 15.77831 
1 1 1  -18   21   12 o  593.948   8.2991  957.541   26.617  921.457   36.817  997.049   38.525  582.253   11.702  605.643   11.772 -23.39038 16.59822 
1 1 1  -18   21   13 o  204.857   11.458  114.057   12.684   0.0000   0.0000  114.057   12.684  ?   ?   204.857   11.458      ?      ? 
1 1 1  -18   21   14 o   60.873   16.237   7.4895   7.2987   9.2533   10.640   5.9219   10.031   64.036   23.486   57.710   22.427 6.325871 32.47394 
1 1 1  -18   21   15 o  246.665   7.3852  165.566   9.8053  147.978   13.803  183.485   13.932  233.352   10.946  259.978   9.9170 -26.62654 14.77041 
1 1 1  -18   21   16 o  370.812   6.8469  373.338   13.712  357.340   19.322  389.569   19.461  362.776   9.8563  378.848   9.5065 -16.07172 13.69379 
1 1 1  -18   21   17 o  273.075   6.9782  202.654   10.290  198.855   14.740  206.265   14.372  270.546   10.082  275.604   9.6501 -5.058289 13.95638 
1 1 1  -18   21   18 o  146.420   14.735   54.093   10.202   70.833   21.222   49.062   11.635  159.099   24.685  133.742   16.099 25.35699 29.47049 
1 1 1  -18   21   19 o  434.846   10.651  519.304   24.962  495.721   36.066  540.991   34.585  425.085   15.701  444.608   14.395 -19.52292 21.30131 
1 1 1  -18   21   20 o  134.299   18.611   51.874   12.641   51.464   21.356   52.095   15.683  131.700   30.594  136.897   21.200 -5.197327 37.22142 
1 1 1  -18   21   21 o  241.876   9.1868  156.156   11.405  148.704   13.933  171.284   19.852  233.692   11.034  250.060   14.692 -16.36780 18.37368 
1 1 1  -18   21   22 o   80.808   15.832   18.734   7.1367   19.635   10.506   17.962   9.7248   82.542   22.801   79.075   21.971 3.466522 31.66363 
1 1 1  -18   21   23 o  113.688   12.011   35.723   7.3463   34.569   10.800   36.716   10.022  111.854   17.869  115.522   16.054 -3.668159 24.02146 
1 1 1  -18   21   24 o  282.984   6.9037  217.832   10.539  220.046   15.387  215.876   14.465  284.283   10.017  281.685   9.5030 2.598114 13.80731 
1 1 1  -18   21   25 o  189.102   8.3289   98.015   8.4806   89.068   12.040  106.825   11.947  180.405   12.351  197.799   11.178 -17.39421 16.65788 
1 1 1  -18   21   26 o  276.254   9.2743  207.806   13.844   0.0000   0.0000  207.806   13.844  ?   ?   276.254   9.2743      ?      ? 
1 1 1  -18   21   27 o  186.438   8.1907   94.813   8.2378  100.476   12.085   89.896   11.259  191.605   11.672  181.271   11.494 10.33350 16.38149 
1 1 1  -18   21   28 o  216.313   7.3261  127.761   8.5530  127.899   12.407  127.636   11.807  216.369   10.611  216.258   10.104 0.1112213 14.65226 
1 1 1  -18   21   29 o  201.610   7.6582  110.897   8.3059  113.907   12.412  108.457   11.177  203.982   11.261  199.237   10.382 4.744812 15.31636 
1 1 1  -18   21   30 o   46.688   14.388  -1.0769   6.8074  -0.2622   9.9502  -1.7937   9.3337   48.324   20.865   45.053   19.816 3.271801 28.77545 
1 1 1  -18   21   31 o  154.020   8.9904   65.429   7.4461   65.160   11.072   65.652   10.061  153.574   13.342  154.467   12.054 -0.8923187 17.98070 
1 1 1  -18   21   32 o  230.681   7.1254  145.527   8.8582  148.770   13.072  142.773   12.046  232.956   10.384  228.405   9.7598 4.551086 14.25071 
1 1 1  -18   21   33 o  110.276   11.810   34.167   6.9861   34.084   10.516   34.232   9.3464  109.896   17.709  110.656   15.631 -0.7601624 23.62075 
1 1 1  -18   21   34 o   68.843   14.902   13.628   6.6938   4.4158   10.200   20.597   8.8715   54.393   22.123   83.293   19.970 -28.90005 29.80311 
1 1 1  -18   21   35 o  144.198   9.6663   58.513   7.4039   54.105   11.297   61.832   9.8029  138.929   15.048  149.466   12.137 -10.53706 19.33261 
1 1 1  -18   21   36 o   48.677   14.606   1.5340   6.6437   2.0598   9.9618   1.1128   8.9162   50.415   21.293   46.939   19.998 3.476692 29.21179 
1 1 1  -18   21   37 o  220.831   7.3497  135.299   8.6543  128.672   13.166  140.342   11.484  215.637   11.299  226.025   9.4027 -10.38864 14.69935 
1 1 1  -18   21   38 o  127.250   10.749   46.945   7.1593   40.014   11.042   51.972   9.4035  118.088   17.305  136.412   12.757 -18.32392 21.49858 
1 1 1  -18   21   39 o  137.950   12.503   53.201   9.3199   0.0000   0.0000   53.201   9.3199  ?   ?   137.950   12.503      ?      ? 
1 1 1  -18   21   40 o   85.567   14.110   23.355   6.7862   12.744   10.376   31.287   8.9709   66.495   23.337  104.641   15.865 -38.14595 28.21917 
1 1 1  -18   21   41 o  106.062   12.092   32.329   6.8880   35.125   10.464   30.191   9.1499  109.849   17.629  102.275   16.556 7.573868 24.18426 
1 1 1  -18   21   42 o   70.532   14.917   15.542   6.7295   6.4869   10.246   22.411   8.9240   55.792   22.357   85.271   19.755 -29.47937 29.83389 
1 1 1  -18   21   43 o  130.748   11.099   51.556   7.4427   38.945   11.414   60.884   9.8167  114.582   18.435  146.913   12.366 -32.33089 22.19786 
1 1 1  -18   21   44 o   52.097   15.048   4.9712   6.6001   5.5064   10.439   4.6147   8.5190   54.291   22.265   49.903   20.248 4.388275 30.09508 
1 1 1  -18   21   45 o  259.951   7.0090  189.583   9.7490  173.205   14.407  203.417   13.241  248.872   10.713  271.029   9.0409 -22.15631 14.01807 
1 1 1  -18   21   46 o   92.705   13.585   29.680   6.9102   11.992   10.561   42.922   9.1378   63.349   23.373  122.061   13.854 -58.71113 27.17070 
1 1 1  -18   21   47 o   51.082   14.437   3.9509   6.7248  -5.7633   10.289   11.195   8.8851   41.341   19.194   60.824   21.571 -19.48270 28.87448 
1 1 1  -18   21   48 o   48.176   14.496   2.0926   7.0296  -5.5860   10.696   7.9311   9.3267   41.729   19.440   54.622   21.509 -12.89282 28.99191 
1 1 1  -18   21   49 o   44.215   14.441  -5.7980   8.5166 -35.1351   17.968   2.7027   9.6721   40.503   20.211   47.926   20.633 -7.422909 28.88221 
1 1 1  -18   21   50 o  115.741   16.828   54.057   11.005   17.912   18.096   75.270   13.863   72.791   29.519  158.691   16.167 -85.89967 33.65588 
1 1 1  -18   21   51 o   84.344   20.630   27.764   10.868   36.757   19.218   23.536   13.177   90.481   31.760   78.206   26.338 12.27502 41.25964 
1 1 1  -18   21   52 o   46.981   14.505   2.7339   7.2688  -3.6936   10.673   8.2946   9.9270   41.226   19.276   52.736   21.680 -11.51012 29.01005 
1 1 1  -18   21   53 o  127.559   11.787   50.772   8.0626   54.161   12.304   48.222   10.674  130.391   17.462  124.727   15.837 5.663330 23.57401 
1 1 1  -18   21   54 o   60.299   18.217   13.987   10.515   9.9279   14.232   18.865   15.603   55.832   24.515   64.767   26.953 -8.934509 36.43435 
1 1 1  -18   22    1 o  260.224   9.6877  183.770   13.622   0.0000   0.0000  183.770   13.622  ?   ?   260.224   9.6877      ?      ? 
1 1 1  -18   22    3 o  295.345   9.5994  236.703   15.320   0.0000   0.0000  236.703   15.320  ?   ?   295.345   9.5994      ?      ? 
1 1 1  -18   22    4 o  161.284   13.027   70.847   11.353   0.0000   0.0000   70.847   11.353  ?   ?   161.284   13.027      ?      ? 
1 1 1  -18   22    5 o  132.632   10.622   48.378   7.5576   43.149   10.919   53.187   10.471  125.599   16.088  139.664   13.875 -14.06502 21.24477 
1 1 1  -18   22    6 o  436.794   9.9493  517.947   23.483   0.0000   0.0000  517.947   23.483  ?   ?   436.794   9.9493      ?      ? 
1 1 1  -18   22    7 o  213.091   12.248  116.998   11.460  137.748   26.001  111.995   12.767  223.261   21.552  202.921   11.644 20.33983 24.49626 
1 1 1  -18   22    8 o  372.946   10.070  408.837   17.836  314.640   32.272  450.263   21.401  338.626   17.637  407.266   9.7246 -68.63992 20.13993 
1 1 1  -18   22    9 o  361.855   15.030  357.883   29.389   0.0000   0.0000  357.883   29.389  ?   ?   361.855   15.030      ?      ? 
1 1 1  -18   22   10 o  107.584   17.832   30.221   9.3055   25.925   10.843   42.230   18.129   94.969   21.615  120.199   28.368 -25.22935 35.66422 
1 1 1  -18   22   11 o  238.942   7.8169  154.782   10.068  170.923   14.671  140.415   13.842  250.709   10.830  227.175   11.276 23.53461 15.63388 
1 1 1  -18   22   12 o  108.337   13.610   32.673   7.7113   41.009   11.417   25.681   10.457  122.150   17.297   94.524   21.017 27.62635 27.21939 
1 1 1  -18   22   13 o  287.570   7.1273  224.571   11.064  229.706   16.087  219.963   15.240  290.657   10.243  284.483   9.9136 6.174530 14.25457 
1 1 1  -18   22   14 o   85.746   16.278   21.206   7.7102   22.805   11.003   19.663   10.807   88.773   22.814   82.718   23.224 6.055275 32.55565 
1 1 1  -18   22   15 o  287.309   7.1374  224.703   11.069  214.419   15.737  234.772   15.572  280.744   10.373  293.873   9.8060 -13.12897 14.27470 
1 1 1  -18   22   16 o  170.111   17.874   91.067   14.359   53.919   22.570  116.329   18.612  134.561   31.582  205.660   16.748 -71.09938 35.74795 
1 1 1  -18   22   17 o  224.910   12.584  138.836   14.924  142.342   23.990  136.622   19.062  226.742   19.580  223.077   15.814 3.664871 25.16848 
1 1 1  -18   22   18 o   73.585   20.689   8.4852   12.789  -5.2500   21.342   16.180   15.974   66.754   29.633   80.416   28.881 -13.66274 41.37872 
1 1 1  -18   22   20 o  330.384   6.8498  297.478   12.206  278.160   17.338  316.459   17.186  319.648   10.038  341.121   9.3233 -21.47299 13.69961 
1 1 1  -18   22   21 o  462.509   10.095  582.763   25.231   0.0000   0.0000  582.763   25.231  ?   ?   462.509   10.095      ?      ? 
1 1 1  -18   22   22 o  101.420   14.194   29.630   7.4719   30.220   11.156   29.150   10.062  102.116   20.920  100.724   19.189 1.392593 28.38750 
1 1 1  -18   22   23 o  168.698   8.7098   78.033   7.9330   75.391   11.311   80.591   11.129  165.827   12.623  171.570   12.004 -5.743027 17.41954 
1 1 1  -18   22   24 o   82.832   15.819   19.636   7.3618   25.955   10.926   14.380   9.9631   94.112   21.896   71.551   22.838 22.56133 31.63866 
1 1 1  -18   22   25 o  121.334   11.478   40.844   7.4681   47.543   10.745   34.584   10.387  131.164   15.161  111.504   17.239 19.66009 22.95698 
1 1 1  -18   22   26 o  115.202   11.925   36.898   7.4164   39.123   10.611   34.773   10.369  118.657   16.550  111.748   17.172 6.909073 23.84925 
1 1 1  -18   22   27 o  145.928   9.4984   58.229   7.4531   66.900   11.061   51.019   10.087  155.864   13.133  135.993   13.726 19.87025 18.99673 
1 1 1  -18   22   28 o  177.995   8.4251   87.578   8.0234   73.410   11.314  101.913   11.380  163.187   12.830  192.803   10.923 -29.61559 16.85013 
1 1 1  -18   22   29 o  162.259   8.8279   72.293   7.6998   75.599   11.592   69.683   10.300  165.434   12.968  159.084   11.982 6.349777 17.65579 
1 1 1  -18   22   30 o  117.483   11.744   38.801   7.1108   50.853   10.595   28.923   9.5918  135.231   14.500   99.735   18.478 35.49513 23.48785 
1 1 1  -18   22   31 o   60.692   15.454   8.4215   6.9571   1.2915   10.175   14.682   9.5342   50.331   21.401   71.052   22.301 -20.72143 30.90884 
1 1 1  -18   22   32 o   66.004   14.375   11.300   6.8332  -2.4369   10.407   21.712   9.0598   46.547   20.676   85.461   19.977 -38.91446 28.75024 
1 1 1  -18   22   33 o  193.307   7.9713  103.020   8.3204  108.326   12.011   98.125   11.537  198.105   11.220  188.509   11.326 9.596115 15.94258 
1 1 1  -18   22   34 o  396.823   6.8692  433.219   14.714  411.984   20.865  454.227   20.753  386.954   9.9785  406.691   9.4432 -19.73740 13.73839 
1 1 1  -18   22   35 o  152.447   9.3527   64.534   7.6556   68.036   11.609   61.840   10.184  155.874   13.783  149.021   12.647 6.852371 18.70549 
1 1 1  -18   22   36 o  202.535   7.5797  113.589   8.2590  112.549   12.231  114.460   11.198  201.447   11.236  203.623   10.177 -2.176132 15.15948 
1 1 1  -18   22   37 o  136.388   13.149   52.191   9.6908   0.0000   0.0000   52.191   9.6908  ?   ?   136.388   13.149      ?      ? 
1 1 1  -18   22   38 o   63.306   15.732   11.324   6.7432   8.8543   9.9912   13.390   9.1383   59.600   22.579   67.013   21.914 -7.412910 31.46468 
1 1 1  -18   22   39 o   58.811   15.501   8.6372   6.8341   4.0090   10.051   12.616   9.3200   52.318   21.691   65.304   22.150 -12.98626 31.00158 
1 1 1  -18   22   40 o  111.384   12.446   37.694   7.0189   31.423   10.852   42.204   9.2030  100.913   20.598  121.856   13.976 -20.94318 24.89222 
1 1 1  -18   22   41 o  129.591   10.589   48.671   7.3020   45.426   11.083   51.160   9.7066  124.959   16.413  134.224   13.383 -9.265266 21.17781 
1 1 1  -18   22   42 o  201.823   7.8284  113.748   8.4039  116.034   13.136  112.163   10.935  202.925   11.979  200.721   10.081 2.204254 15.65676 
1 1 1  -18   22   43 o   51.157   13.864   1.2661   6.8522 -16.1013   10.546   13.953   9.0139   35.297   17.190   67.016   21.757 -31.71906 27.72852 
1 1 1  -18   22   44 o  180.059   8.7703   92.176   8.3998   91.898   13.042   92.374   10.980  179.020   13.482  181.098   11.220 -2.077866 17.54054 
1 1 1  -18   22   45 o  177.209   8.6876   90.166   8.1301   84.894   12.680   93.847   10.595  171.709   13.666  182.708   10.731 -10.99934 17.37524 
1 1 1  -18   22   46 o   46.733   14.371  -1.4199   6.9174   8.3093   10.985  -7.8124   8.9045   57.293   23.081   36.174   17.127 21.11882 28.74128 
1 1 1  -18   22   47 o  146.538   10.461   63.106   8.2050   68.079   12.657   59.501   10.776  150.802   15.532  142.274   14.017 8.527954 20.92173 
1 1 1  -18   22   48 o   72.078   20.061   17.585   11.081   17.676   19.634   17.543   13.424   72.804   30.261   71.353   26.346 1.450806 40.12281 
1 1 1  -18   22   49 o   37.003   13.254 -38.3658   10.844 -28.5586   18.591 -43.4234   13.350   43.565   21.534   30.442   15.459 13.12334 26.50792 
1 1 1  -18   22   50 o   80.305   16.488   24.979   7.7613   20.032   11.227   29.508   10.741   71.027   24.309   89.584   22.282 -18.55644 32.97598 
1 1 1  -18   22   51 o   87.937   16.028   27.540   7.6361   32.947   11.684   23.507   10.089   95.383   22.948   80.492   22.384 14.89108 32.05658 
1 1 1  -18   22   52 o   92.345   19.186   37.607   11.179   51.194   15.630   23.378   15.995  113.276   26.075   71.415   28.153 41.86087 38.37280 
1 1 1  -18   23    1 o  124.284   11.245   42.321   7.5095   48.748   10.892   36.499   10.367  133.355   15.115  115.213   16.653 18.14133 22.48953 
1 1 1  -18   23    2 o  107.985   12.922   32.736   7.3272   28.389   10.283   37.219   10.443   99.620   19.800  116.351   16.610 -16.73046 25.84467 
1 1 1  -18   23    3 o  164.204   9.4616   73.737   8.3337   85.715   11.990   62.542   11.592  177.231   12.519  151.177   14.190 26.05373 18.92312 
1 1 1  -18   23    4 o  263.205   7.2639  188.290   10.324  192.242   14.929  184.668   14.294  265.829   10.393  260.580   10.151 5.248718 14.52784 
1 1 1  -18   23    6 o  227.616   10.343  140.940   12.721   0.0000   0.0000  140.940   12.721  ?   ?   227.616   10.343      ?      ? 
1 1 1  -18   23    7 o  227.064   7.8151  139.919   9.5724  150.765   13.997  130.389   13.120  235.310   11.008  218.818   11.096 16.49178 15.63010 
1 1 1  -18   23    8 o  427.836   10.154  514.781   20.458  472.522   39.523  530.248   23.911  414.083   17.664  441.590   10.020 -27.50690 20.30787 
1 1 1  -18   23    9 o  241.644   11.743  170.293   12.538  143.266   25.864  178.597   14.336  227.063   21.080  256.225   10.354 -29.16159 23.48515 
1 1 1  -18   23   10 o  206.225   11.251  107.013   10.927   97.977   12.447  137.365   22.812  189.529   12.154  222.921   18.938 -33.39160 22.50239 
1 1 1  -18   23   11 o   66.607   18.275   6.5213   8.2083   3.9598   9.3645   15.016   17.053   53.156   21.347   80.059   29.669 -26.90280 36.55033 
1 1 1  -18   23   12 o   86.974   15.935   21.980   7.6119   18.250   10.907   25.522   10.628   79.964   23.612   93.984   21.406 -14.01986 31.87088 
1 1 1  -18   23   13 o  217.785   12.757  137.482   11.596  120.653   26.068  141.634   12.947  207.481   23.251  228.089   10.505 -20.60838 25.51394 
1 1 1  -18   23   14 o  155.309   19.186   70.597   14.578   67.005   25.492   72.342   17.770  149.393   32.503  161.225   20.397 -11.83289 38.37296 
1 1 1  -18   23   15 o  140.309   20.661   57.125   14.885   65.270   23.894   51.959   19.029  147.820   30.908  132.798   27.425 15.02187 41.32145 
1 1 1  -18   23   16 o  171.014   16.531   83.970   14.486   77.252   24.101   87.770   18.125  164.310   27.145  177.717   18.874 -13.40759 33.06147 
1 1 1  -18   23   17 o  324.094   6.9818  285.722   12.178  290.698   18.118  281.622   16.447  326.556   10.268  321.633   9.4633 4.923126 13.96356 
1 1 1  -18   23   18 o  216.678   10.933  128.202   12.800   0.0000   0.0000  128.202   12.800  ?   ?   216.678   10.933      ?      ? 
1 1 1  -18   23   19 o  148.852   10.362   60.814   7.9771   86.993   11.922   39.594   10.734  178.173   12.383  119.532   16.618 58.64091 20.72429 
1 1 1  -18   23   20 o  121.300   12.288   42.113   7.6765   33.294   11.056   50.321   10.667  107.497   19.762  135.102   14.611 -27.60543 24.57665 
1 1 1  -18   23   21 o   77.656   15.719   17.257   7.4122   8.6923   10.655   25.287   10.318   62.285   23.378   93.027   21.020 -30.74266 31.43887 
1 1 1  -18   23   22 o  176.272   8.9214   85.096   8.4747   88.133   12.536   82.540   11.501  179.085   12.955  173.459   12.270 5.625626 17.84287 
1 1 1  -18   23   23 o   42.291   13.522  -6.9739   6.9071 -14.2479   9.6565   0.6465   9.8837   35.245   16.992   49.338   21.039 -14.09331 27.04349 
1 1 1  -18   23   24 o   67.799   16.306   12.492   7.1426   12.255   10.224   12.719   9.9823   67.486   23.195   68.111   22.924 -0.6251602 32.61173 
1 1 1  -18   23   25 o   80.765   13.751   19.042   7.1029   2.5613   10.488   33.005   9.6538   52.829   22.051  108.701   16.435 -55.87215 27.50180 
1 1 1  -18   23   26 o   60.653   15.851   8.7320   7.0085   4.8443   10.743   11.613   9.2474   56.222   22.763   65.084   22.063 -8.861420 31.70124 
1 1 1  -18   23   27 o  250.947   7.0518  171.410   9.5210  183.903   14.298  161.456   12.762  259.027   10.215  242.867   9.7247 16.15981 14.10362 
1 1 1  -18   23   28 o   92.385   14.487   25.449   7.0686   29.657   9.9255   21.118   10.069  100.774   18.922   83.995   21.943 16.77845 28.97477 
1 1 1  -18   23   29 o   57.894   15.290   6.9064   6.6936   12.490   9.7241   1.8783   9.2279   66.844   22.625   48.943   20.573 17.90062 30.58013 
1 1 1  -18   23   30 o  178.550   8.4593   88.550   8.1160   78.636   11.546   98.234   11.411  168.370   12.690  188.731   11.189 -20.36099 16.91854 
1 1 1  -18   23   31 f  373.374   9.3561  382.606   18.877   0.0000   0.0000  382.606   18.877  ?   ?   373.374   9.3561      ?      ? 
1 1 1  -18   23   32 o  120.018   12.258   42.612   7.4299   30.109   10.610   54.642   10.408  100.286   20.276  139.750   13.782 -39.46404 24.51688 
1 1 1  -18   23   33 o  158.575   9.3878   71.402   7.8312   53.262   11.077   89.529   11.073  137.412   14.918  179.738   11.401 -42.32613 18.77563 
1 1 1  -18   23   34 o  162.112   9.1648   73.544   8.0185   74.386   11.657   72.787   11.047  162.867   13.245  161.358   12.670 1.509247 18.32953 
1 1 1  -18   23   35 f  119.424   11.244   40.307   7.1995   43.898   11.038   37.648   9.4981  123.761   16.505  115.088   15.273 8.673050 22.48714 
1 1 1  -18   23   36 o  118.216   11.679   40.514   7.3764   36.309   10.849   44.130   10.060  111.817   17.955  124.615   14.939 -12.79726 23.35709 
1 1 1  -18   23   37 o   67.799   15.913   13.195   6.8757   18.582   10.515   9.1695   9.0882   76.838   23.299   58.761   21.682 18.07657 31.82672 
1 1 1  -18   23   38 o   95.789   14.657   28.313   7.3043   29.389   11.196   27.516   9.6383   96.709   21.929   94.869   19.454 1.840813 29.31430 
1 1 1  -18   23   39 o  206.773   10.305  119.026   11.514   0.0000   0.0000  119.026   11.514  ?   ?   206.773   10.305      ?      ? 
1 1 1  -18   23   40 o   49.510   14.825   2.8433   6.8245   1.5853   10.507   3.7613   8.9753   49.549   21.418   49.472   20.503 0.7761765E-01 29.64916 
1 1 1  -18   23   41 o  190.455   8.7796  104.857   8.7775   89.269   13.426  116.492   11.600  176.614   14.068  204.296   10.507 -27.68184 17.55916 
1 1 1  -18   23   42 o  127.206   11.338   47.451   7.6163   47.486   12.072   47.427   9.8167  126.141   17.710  128.271   14.163 -2.129608 22.67688 
1 1 1  -18   23   43 o   53.950   15.670   5.7812   7.2982   7.0508   10.856   4.7342   9.8585   56.195   22.836   51.705   21.463 4.490170 31.33932 
1 1 1  -18   23   44 o  154.831   9.4656   69.431   7.8442   67.596   11.819   70.875   10.487  152.239   14.367  157.424   12.328 -5.185135 18.93129 
1 1 1  -18   23   45 o   39.905   18.994  -9.4136   11.241  -9.4136   11.241   0.0000   0.0000   39.905   18.994  ?   ?       ?      ? 
1 1 1  -18   23   46 o   77.261   19.135   12.837   10.721   44.550   18.965  -2.0559   12.996  105.651   31.118   48.872   22.276 56.77973 38.26947 
1 1 1  -18   23   47 o   80.383   19.878   24.436   11.532   12.408   18.344   32.297   14.829   67.366   28.692   93.400   27.519 -26.03352 39.75591 
1 1 1  -18   23   48 o   57.352   16.801   8.9166   8.9813   15.156   12.003   0.9782   13.538   64.575   24.679   50.129   22.805 14.44604 33.60245 
1 1 1  -18   23   49 o   43.050   13.915  -5.3065   7.5453   7.5605   11.419 -15.2789   10.053   53.246   22.657   32.854   16.162 20.39186 27.83051 
1 1 1  -18   23   50 o  100.595   18.602   37.131   10.155   26.517   12.687   56.059   16.941   81.514   25.745  119.676   26.857 -38.16216 37.20342 
1 1 1  -18   23   51 o   54.345   16.776   6.0625   10.290   18.275   13.826  -9.0991   15.406   64.745   25.961   43.945   21.254 20.79926 33.55160 
1 1 1  -18   24    1 o  130.411   10.677   46.819   7.4605   54.762   10.714   39.341   10.395  141.319   14.030  119.503   16.097 21.81566 21.35339 
1 1 1  -18   24    2 o   71.036   15.786   13.507   7.0391   7.7601   9.8139   19.595   10.102   59.830   22.441   82.242   22.210 -22.41137 31.57294 
1 1 1  -18   24    5 o  150.775   10.062   63.656   7.9663   47.124   11.355   79.683   11.180  130.777   16.068  170.773   12.115 -39.99644 20.12323 
1 1 1  -18   24    6 o  224.349   7.7553  137.473   9.3842  132.889   13.546  141.703   13.012  220.672   11.360  228.026   10.560 -7.354340 15.51061 
1 1 1  -18   24    7 o  215.618   7.8968  126.614   9.1755  140.322   13.269  114.054   12.702  226.845   10.825  204.392   11.500 22.45273 15.79357 
1 1 1  -18   24    8 o  311.465   9.8417  264.162   16.564   0.0000   0.0000  264.162   16.564  ?   ?   311.465   9.8417      ?      ? 
1 1 1  -18   24    9 o  242.825   12.275  161.761   12.228  165.653   29.248  160.936   13.461  242.648   22.307  243.003   10.251 -0.3547974 24.54951 
1 1 1  -18   24   10 o   97.434   22.064   17.802   10.455   49.212   26.580   12.053   11.372  125.981   36.764   68.887   24.407 57.09328 44.12818 
1 1 1  -18   24   11 o  123.223   22.998   44.867   15.013   52.545   25.397   40.743   18.613  130.190   35.239  116.257   29.562 13.93285 45.99681 
1 1 1  -18   24   12 o   68.627   21.308  -1.7892   14.155   2.3041   25.296  -3.6554   17.080   77.245   33.310   60.010   26.581 17.23566 42.61586 
1 1 1  -18   24   13 o  217.482   15.297  136.827   17.131  119.865   27.766  147.252   21.768  204.748   25.096  230.217   17.498 -25.46828 30.59398 
1 1 1  -18   24   14 o  194.900   12.691  104.191   13.366   0.0000   0.0000  104.191   13.366  ?   ?   194.900   12.691      ?      ? 
1 1 1  -18   24   15 o  222.344   10.828  135.076   13.010   0.0000   0.0000  135.076   13.010  ?   ?   222.344   10.828      ?      ? 
1 1 1  -18   24   16 o  287.504   7.0719  225.622   10.949  224.292   16.137  226.757   14.905  286.599   10.420  288.409   9.5641 -1.810211 14.14386 
1 1 1  -18   24   17 o  275.986   9.8370  207.801   14.670   0.0000   0.0000  207.801   14.670  ?   ?   275.986   9.8370      ?      ? 
1 1 1  -18   24   18 o   47.902   14.463  -1.5957   6.9409  -7.9105   9.6090   5.2939   10.037   39.830   18.511   55.975   22.226 -16.14454 28.92549 
1 1 1  -18   24   19 o  133.758   10.223   49.402   7.3860   51.279   10.597   47.628   10.301  136.242   14.393  131.275   14.521 4.966064 20.44567 
1 1 1  -18   24   20 o   64.917   15.786   10.576   6.9732   16.092   9.9792   5.3131   9.7482   74.524   22.720   55.310   21.923 19.21365 31.57244 
1 1 1  -18   24   21 o  193.877   8.0693  103.266   8.4481   99.826   12.014  106.631   11.882  190.612   11.664  197.142   11.154 -6.529922 16.13865 
1 1 1  -18   24   22 f  122.797   12.889   44.991   7.8444   28.864   11.332   59.830   10.870   98.585   21.846  147.008   13.684 -48.42290 25.77768 
1 1 1  -18   24   23 o  103.255   13.596   30.588   7.4030   35.715   10.826   26.086   10.146  112.562   17.798   93.949   20.557 18.61356 27.19134 
1 1 1  -18   24   24 o   66.729   16.173   11.237   7.3592   18.044   10.731   5.1926   10.112   78.002   23.512   55.455   22.213 22.54711 32.34560 
1 1 1  -18   24   25 o  269.732   9.8691  199.375   14.385   0.0000   0.0000  199.375   14.385  ?   ?   269.732   9.8691      ?      ? 
1 1 1  -18   24   26 o  160.659   9.3776   71.603   8.1100   71.966   12.013   71.299   10.993  160.850   13.822  160.469   12.678 0.3813171 18.75527 
1 1 1  -18   24   27 o   79.339   13.664   17.426   7.3340  -0.5757   10.549   34.270   10.204   48.728   21.258  109.950   17.174 -61.22121 27.32850 
1 1 1  -18   24   28 o  143.736   10.338   58.253   7.9827   54.179   11.646   61.863   10.963  138.623   15.547  148.848   13.630 -10.22472 20.67622 
1 1 1  -18   24   29 o  263.650   7.1116  191.747   10.100  185.196   14.715  197.585   13.889  259.159   10.507  268.141   9.5859 -8.981842 14.22313 
1 1 1  -18   24   30 o  192.555   11.057  102.559   11.505   0.0000   0.0000  102.559   11.505  ?   ?   192.555   11.057      ?      ? 
1 1 1  -18   24   31 f   82.894   15.079   21.466   7.0106   14.581   10.280   27.451   9.5851   70.046   23.260   95.742   19.195 -25.69693 30.15732 
1 1 1  -18   24   32 o   53.055   15.317   3.7217   7.0508   8.5183   10.523  -0.1870   9.4987   59.840   23.049   46.269   20.179 13.57067 30.63405 
1 1 1  -18   24   33 o  231.896   7.4679  149.281   9.2828  126.406   12.973  173.281   13.288  213.262   11.258  250.531   9.8155 -37.26900 14.93580 
1 1 1  -18   24   34 o   52.063   15.195   2.5007   7.1725   9.1077   10.644  -2.9950   9.7076   60.590   23.220   43.537   19.606 17.05355 30.39033 
1 1 1  -18   24   35 o   97.706   14.798   29.608   7.5543   28.572   11.183   30.476   10.245   95.405   22.122  100.008   19.659 -4.603188 29.59521 
1 1 1  -18   24   36 o  213.295   7.8848  126.581   9.0483  132.452   13.552  121.859   12.154  217.496   11.531  209.094   10.757 8.402054 15.76964 
1 1 1  -18   24   37 o  126.270   11.538   46.693   7.6838   44.920   12.085   47.897   9.9553  123.161   18.158  129.379   14.240 -6.217537 23.07560 
1 1 1  -18   24   38 o  210.437   10.690  123.736   12.156   0.0000   0.0000  123.736   12.156  ?   ?   210.437   10.690      ?      ? 
1 1 1  -18   24   39 o   67.501   14.684   12.363   7.4360  -4.0724   11.166   25.463   9.9681   45.160   20.609   89.843   20.923 -44.68250 29.36780 
1 1 1  -18   24   40 o   55.050   15.749   6.6143   7.2284   6.3438   10.971   6.8218   9.6087   55.628   22.821   54.472   21.710 1.156143 31.49809 
1 1 1  -18   24   41 o  104.609   14.467   33.715   7.9758   43.934   12.073   25.802   10.624  120.444   18.550   88.774   22.204 31.66978 28.93328 
1 1 1  -18   24   42 o  139.832   10.955   58.443   8.1223   51.862   12.200   63.682   10.885  131.297   17.196  148.367   13.577 -17.06999 21.90992 
1 1 1  -18   24   43 o   60.866   16.581   9.8373   7.8903   18.158   12.191   3.8388   10.351   71.575   25.280   50.158   21.463 21.41747 33.16171 
1 1 1  -18   24   44 o   50.935   24.539 -15.4685   20.051 -15.4685   20.051   0.0000   0.0000   50.935   24.539  ?   ?       ?      ? 
1 1 1  -18   24   45 f  122.938   13.567   54.800   12.535 -25.3378   18.762  119.414   16.847   45.295   22.241  200.582   15.543 -155.2874 27.13386 
1 1 1  -18   24   46 o   89.277   20.807   31.740   11.183   40.495   19.180   27.230   13.765   95.175   31.778   83.380   26.869 11.79505 41.61432 
1 1 1  -18   24   47 o   47.901   14.553  -2.9109   7.9253   15.587   11.571 -19.2572   10.877   63.286   24.221   32.517   16.143 30.76915 29.10694 
1 1 1  -18   24   48 o  134.081   15.868   62.652   10.840   62.678   13.876   62.613   17.365  139.256   18.440  128.905   25.830 10.35086 31.73695 
1 1 1  -18   24   49 o   90.430   19.028   35.603   10.977   20.419   14.952   53.356   16.168   67.443   27.013  113.416   26.805 -45.97253 38.05521 
1 1 1  -18   25    1 o  137.390   10.665   52.459   7.8426   60.288   11.052   44.520   11.130  148.020   13.818  126.760   16.249 21.26012 21.33034 
1 1 1  -18   25    2 o  327.214   9.7667  291.944   17.269   0.0000   0.0000  291.944   17.269  ?   ?   327.214   9.7667      ?      ? 
1 1 1  -18   25    4 o  203.968   11.405  113.817   12.570  113.817   12.570   0.0000   0.0000  203.968   11.405  ?   ?       ?      ? 
1 1 1  -18   25    5 o  196.487   8.2010  105.436   8.6964  110.444   12.694  101.005   11.938  200.853   11.695  192.120   11.500 8.732605 16.40197 
1 1 1  -18   25    6 o  128.833   11.938   47.125   7.8108   32.945   10.829   62.500   11.277  106.975   19.450  150.691   13.848 -43.71579 23.87679 
1 1 1  -18   25    7 f  126.319   19.349   50.758   10.347   40.135   24.281   53.115   11.438  114.007   35.558  138.630   15.269 -24.62305 38.69775 
1 1 1  -18   25    8 o  111.092   21.868   28.874   15.825   71.059   25.418   2.1721   20.222  152.407   31.888   69.777   29.932 82.63023 43.73514 
1 1 1  -18   25    9 o   86.616   23.521   17.114   15.951   5.9932   24.541   25.248   20.989   78.679   33.336   94.552   33.191 -15.87204 47.04171 
1 1 1  -18   25   10 o  144.922   20.897   60.207   15.503   81.847   25.475   47.477   19.538  164.906   29.679  124.938   29.425 39.96763 41.79352 
1 1 1  -18   25   11 o  290.086   12.654  240.673   19.246  203.446   29.506  268.243   25.392  268.728   20.319  311.445   15.088 -42.71646 25.30811 
1 1 1  -18   25   12 o  103.437   18.456   28.505   9.3683   23.967   10.869   41.622   18.479   90.116   22.413  116.758   29.328 -26.64223 36.91128 
1 1 1  -18   25   13 o  224.242   16.979  140.135   20.574   0.0000   0.0000  140.135   20.574  ?   ?   224.242   16.979      ?      ? 
1 1 1  -18   25   14 o  155.222   10.097   66.479   8.4123   77.358   12.203   56.629   11.612  167.492   13.483  142.953   15.032 24.53821 20.19357 
1 1 1  -18   25   15 o  136.186   10.864   52.115   7.8933   58.891   10.886   44.603   11.462  145.990   13.800  126.381   16.783 19.60891 21.72799 
1 1 1  -18   25   16 o   52.394   15.403   2.4665   7.2523   4.9390   10.289   0.0248   10.224   55.633   22.364   49.155   21.187 6.478001 30.80655 
1 1 1  -18   25   17 o   92.487   14.441   25.566   7.6295   10.302   10.833   40.588   10.747   64.541   23.694  120.433   16.514 -55.89162 28.88135 
1 1 1  -18   25   18 o   91.728   15.438   24.964   7.5527   28.267   10.990   22.009   10.397   97.611   21.424   85.846   22.235 11.76510 30.87676 
1 1 1  -18   25   19 o  166.111   9.3760   77.060   8.3120   64.103   11.843   89.639   11.669  151.857   14.432  180.364   11.973 -28.50694 18.75194 
1 1 1  -18   25   20 o  169.624   9.1078   79.375   8.3242   82.102   12.324   77.087   11.288  172.184   13.246  167.064   12.504 5.119858 18.21561 
1 1 1  -18   25   21 o   68.479   16.530   12.636   7.4000   16.610   10.997   9.3475   10.004   75.292   23.989   61.665   22.749 13.62754 33.06067 
1 1 1  -18   25   22 o  187.795   11.506   97.220   11.676   0.0000   0.0000   97.220   11.676  ?   ?   187.795   11.506      ?      ? 
1 1 1  -18   25   23 o   73.726   16.043   15.624   7.2590   21.850   10.533   9.9908   10.018   84.935   22.566   62.517   22.811 22.41800 32.08645 
1 1 1  -18   25   24 o  133.094   10.817   49.816   7.7779   49.988   11.123   49.651   10.881  133.268   15.445  132.920   15.149 0.3478699 21.63420 
1 1 1  -18   25   25 f  117.508   12.822   40.183   7.5349   58.967   11.175   24.525   10.203  145.048   14.258   89.968   21.315 55.08015 25.64363 
1 1 1  -18   25   26 o   89.522   15.083   23.986   7.3361   32.798   10.839   16.537   9.9655  104.961   19.838   74.084   22.727 30.87688 30.16676 
1 1 1  -18   25   27 o  192.607   8.1668  102.172   8.4700  111.782   12.633   94.324   11.416  200.737   11.646  184.477   11.452 16.26024 16.33359 
1 1 1  -18   25   28 o   83.031   15.208   20.492   7.1472   30.297   10.704   12.605   9.6008  100.057   20.488   66.004   22.481 34.05308 30.41590 
1 1 1  -18   25   29 o  115.950   12.659   38.984   7.6360   48.570   11.321   30.982   10.343  130.396   16.066  101.504   19.567 28.89162 25.31783 
1 1 1  -18   25   30 o   57.031   15.793   7.1629   7.0675   7.0330   10.370   7.2756   9.6580   57.363   22.651   56.699   22.014 0.6638145 31.58569 
1 1 1  -18   25   31 o  130.398   11.761   49.867   8.0941   40.199   11.825   58.390   11.103  117.233   18.666  143.564   14.312 -26.33076 23.52136 
1 1 1  -18   25   32 o   54.595   15.597   4.6586   7.2626   10.145   10.825   0.1683   9.7938   62.182   23.516   47.008   20.496 15.17403 31.19411 
1 1 1  -18   25   33 o  151.758   9.8824   65.765   8.0524   62.033   11.840   68.977   10.984  147.229   14.882  156.286   13.006 -9.057114 19.76471 
1 1 1  -18   25   34 o   74.213   16.066   16.663   7.2304   24.024   10.955   10.982   9.6243   86.428   23.038   61.998   22.398 24.43074 32.13128 
1 1 1  -18   25   35 o   97.182   14.771   29.395   7.5259   34.450   11.111   25.110   10.230  105.433   20.238   88.930   21.521 16.50272 29.54183 
1 1 1  -18   25   36 o  170.915   12.347   82.500   11.403   0.0000   0.0000   82.500   11.403  ?   ?   170.915   12.347      ?      ? 
1 1 1  -18   25   37 o   62.991   15.065   5.5411   7.6016   25.185   11.669  -8.9416   10.019   87.397   23.983   38.585   18.238 48.81155 30.12958 
1 1 1  -18   25   38 o  104.094   14.338   33.302   7.6891   40.255   12.071   28.554   9.9745  113.054   20.515   95.134   20.036 17.91924 28.67564 
1 1 1  -18   25   39 o   53.490   15.587   3.8819   7.5194   11.331   11.302  -2.0342   10.072   62.691   23.951   44.288   19.955 18.40342 31.17427 
1 1 1  -18   25   40 o   61.326   16.091   10.658   7.6626   2.6535   11.378   17.299   10.365   50.990   22.164   71.662   23.334 -20.67234 32.18258 
1 1 1  -18   25   41 o   45.128   14.465  -2.1571   7.5698   1.8898   11.495  -5.2558   10.059   49.716   21.924   40.539   18.874 9.177101 28.92905 
1 1 1  -18   25   42 o   74.077   30.589   19.241   19.874   19.241   19.874   0.0000   0.0000   74.077   30.589  ?   ?       ?      ? 
1 1 1  -18   25   43 o   75.492   19.437   20.483   11.830   0.3514   20.748   30.180   14.400   60.378   27.754   90.606   27.220 -30.22782 38.87388 
1 1 1  -18   25   44 o   84.964   20.162   20.974   11.468   57.072   20.882   5.3874   13.722  114.814   32.300   55.114   24.139 59.70044 40.32362 
1 1 1  -18   25   45 o   62.719   17.176   14.974   8.7135   8.2551   12.830   20.727   11.871   54.465   23.604   70.973   24.959 -16.50827 34.35278 
1 1 1  -18   25   46 o   47.254   15.881  -8.9676   11.257 -19.2432   16.018   1.0599   15.823   41.880   20.561   52.628   24.208 -10.74863 31.76147 
1 1 1  -18   25   47 o   43.781   14.940 -11.9317   10.852 -24.1441   15.575  -0.4090   15.129   38.378   19.096   49.184   22.981 -10.80589 29.87988 
1 1 1  -18   26    1 o  119.594   11.905   40.069   7.6716   41.480   10.590   38.511   11.128  121.993   16.065  117.194   17.573 4.799683 23.80917 
1 1 1  -18   26    2 o   57.787   15.188   5.7292   6.9469  -2.3847   9.8115   13.886   9.8373   45.513   20.153   70.062   22.728 -24.54948 30.37634 
1 1 1  -18   26    3 o  189.319   8.7433   98.751   8.9246   90.949   12.583  106.647   12.660  181.657   12.819  196.981   11.893 -15.32393 17.48661 
1 1 1  -18   26    4 o  128.329   20.801   49.203   11.003   50.653   28.001   48.938   11.965  124.330   38.088  132.327   16.733 -7.996468 41.60122 
1 1 1  -18   26    5 o   90.521   23.839   22.349   15.931   9.4009   27.366   28.986   19.594   83.367   35.256   97.676   32.096 -14.30846 47.67743 
1 1 1  -18   26    6 o  294.335   12.969  248.921   20.115  213.198   30.521  276.351   26.745  273.693   20.637  314.978   15.714 -41.28430 25.93856 
1 1 1  -18   26    7 f   73.074   22.135   2.4324   15.153   12.811   25.021  -3.5788   19.043   83.595   34.399   62.554   27.867 21.04030 44.27024 
1 1 1  -18   26    8 o  127.446   17.377   45.597   11.967   0.0000   0.0000   45.597   11.967  ?   ?   127.446   17.377      ?      ? 
1 1 1  -18   26    9 o  301.190   9.8881  248.248   16.093   0.0000   0.0000  248.248   16.093  ?   ?   301.190   9.8881      ?      ? 
1 1 1  -18   26   10 o  145.096   10.472   58.525   8.2020   62.191   11.723   55.009   11.480  149.631   14.498  140.560   15.115 9.070938 20.94386 
1 1 1  -18   26   11 o  154.043   18.794   72.808   10.809   68.356   27.234   73.640   11.776  144.953   35.135  163.132   13.359 -18.17879 37.58887 
1 1 1  -18   26   12 o   93.628   22.042   20.336   10.023   40.113   26.174   16.938   10.850  111.225   37.122   76.030   23.778 35.19501 44.08464 
1 1 1  -18   26   13 o  109.560   17.607   39.234   9.1774   42.705   10.502   28.018   18.878  123.608   15.723   95.511   31.510 28.09743 35.21471 
1 1 1  -18   26   14 o   83.424   19.174   20.764   9.3379   22.016   10.815   17.097   18.509   85.603   22.923   81.244   30.743 4.358734 38.34815 
1 1 1  -18   26   15 o   45.932   14.378  -2.5237   7.0064  -4.6002   9.2787   0.2309   10.687   41.673   18.928   50.190   21.647 -8.516991 28.75554 
1 1 1  -18   26   16 o  152.769   10.198   64.943   8.2498   49.119   11.301   82.996   12.071  132.401   15.796  173.138   12.902 -40.73747 20.39531 
1 1 1  -18   26   18 o  102.651   14.548   31.501   7.8834   40.810   11.111   22.064   11.187  120.102   17.121   85.199   23.524 34.90279 29.09507 
1 1 1  -18   26   19 o   86.258   16.347   22.686   7.7797   23.845   11.055   21.548   10.950   88.439   22.939   84.076   23.297 4.362457 32.69478 
1 1 1  -18   26   20 o  195.111   11.435  105.263   12.056   0.0000   0.0000  105.263   12.056  ?   ?   195.111   11.435      ?      ? 
1 1 1  -18   26   21 o   56.641   15.640   5.3553   7.3100   11.946   10.409  -1.0594   10.269   65.899   23.350   47.383   20.814 18.51630 31.28016 
1 1 1  -18   26   22 o   72.313   16.006   14.327   7.4404   23.911   11.046   6.3672   10.067   88.177   22.958   56.448   22.308 31.72952 32.01115 
1 1 1  -18   26   23 o   88.717   15.630   24.123   7.4663   24.306   10.548   23.938   10.570   89.084   22.034   88.351   22.174 0.7328339 31.26038 
1 1 1  -18   26   24 o   52.873   15.389   3.1815   7.2805   8.0963   10.430  -1.4889   10.167   59.290   22.916   46.455   20.546 12.83577 30.77792 
1 1 1  -18   26   25 o  149.589   10.159   62.832   8.1092   77.300   11.936   50.427   11.052  165.957   13.309  133.221   15.352 32.73544 20.31813 
1 1 1  -18   26   26 o  188.055   11.747   98.489   11.937   0.0000   0.0000   98.489   11.937  ?   ?   188.055   11.747      ?      ? 
1 1 1  -18   26   27 o   49.412   14.918   1.5446   7.0381   3.1852   10.318   0.1172   9.6246   51.982   21.798   46.841   20.372 5.140724 29.83562 
1 1 1  -18   26   28 o   45.026   14.207  -3.3585   7.2092   2.2089   10.329  -8.6477   10.067   50.636   21.547   39.416   18.522 11.21992 28.41411 
1 1 1  -18   26   29 o  210.634   8.0567  124.185   9.1416  116.646   13.159  131.217   12.709  204.113   11.931  217.155   10.830 -13.04282 16.11348 
1 1 1  -18   26   30 o   49.398   15.001   1.6549   7.2071   0.1252   10.702   2.9244   9.7492   48.672   21.318   50.125   21.112 -1.453091 30.00272 
1 1 1  -18   26   31 o   45.878   14.252  -3.5612   7.4001 -13.8205   10.714   5.7989   10.233   37.139   17.904   54.617   22.181 -17.47792 28.50494 
1 1 1  -18   26   32 f   42.229   13.780  -5.5293   7.3315  -7.0647   10.828  -4.2292   9.9630   41.995   19.562   42.463   19.412 -0.4674263 27.55919 
1 1 1  -18   26   33 o  246.400   7.7108  167.302   10.163  187.957   15.797  152.716   13.275  258.874   11.293  233.927   10.502 24.94693 15.42151 
1 1 1  -18   26   34 o  110.099   13.756   35.406   7.8184   50.877   12.342   25.036   10.104  131.361   17.387   88.836   21.320 42.52455 27.51136 
1 1 1  -18   26   35 o   46.337   14.682  -1.5288   7.5931  -1.1344   10.812  -1.9127   10.666   46.863   20.929   45.811   20.598 1.051861 29.36495 
1 1 1  -18   26   36 f  118.620   13.083   42.067   8.0143   55.587   12.193   31.784   10.634  137.057   16.463  100.183   20.338 36.87411 26.16659 
1 1 1  -18   26   37 o   57.908   16.308   8.4481   7.6138   8.0794   11.702   8.7187   10.026   58.347   23.710   57.468   22.397 0.8784523 32.61571 
1 1 1  -18   26   38 o   62.621   16.826   12.225   7.8525   12.123   11.477   12.314   10.767   62.646   24.087   62.597   23.500 0.4902267E-01 33.65149 
1 1 1  -18   26   39 o  102.983   14.796   34.410   7.9045   39.627   12.067   30.489   10.462  109.735   21.116   96.230   20.731 13.50469 29.59127 
1 1 1  -18   26   40 o   51.385   22.822   1.3088   12.675   1.3088   12.675   0.0000   0.0000   51.385   22.822  ?   ?       ?      ? 
1 1 1  -18   26   41 o   54.326   17.622  -0.8045   11.107  -4.1959   20.157   0.6743   13.310   56.919   26.573   51.733   23.154 5.186035 35.24469 
1 1 1  -18   26   42 o   52.154   17.088  -0.8078   11.413  -7.2455   18.856   2.9144   14.338   51.367   24.491   52.940   23.836 -1.573360 34.17525 
1 1 1  -18   26   43 o   35.920   17.714 -29.3119   10.150 -17.6798   12.334 -53.7162   17.865   35.920   17.714  ?   ?       ?      ? 
1 1 1  -18   26   44 o   58.688   18.274   8.5361   11.133   6.6464   14.666   11.106   17.103   55.977   24.721   61.399   26.919 -5.422016 36.54782 
1 1 1  -18   26   45 o   55.602   17.827   7.3412   11.534   7.7432   15.321   6.8153   17.522   55.311   24.792   55.893   25.623 -0.5818977 35.65338 
1 1 1  -18   27    1 o  114.397   23.288   44.615   16.593   20.662   26.825   59.459   21.118   90.856   36.254  137.938   29.240 -47.08226 46.57595 
1 1 1  -18   27    2 o  144.626   22.224   63.228   16.748   89.504   26.890   46.577   21.406  169.097   30.553  120.155   32.281 48.94167 44.44716 
1 1 1  -18   27    3 o  181.930   18.940  102.685   17.325   84.077   26.818  116.013   22.696  163.017   31.585  200.844   20.913 -37.82733 37.88053 
1 1 1  -18   27    4 o   66.344   18.989   1.8771   9.2921  -3.7049   10.534   21.448   19.725   45.647   20.502   87.042   31.970 -41.39448 37.97893 
1 1 1  -18   27    5 o   59.576   15.626   8.0219   7.0320   12.730   9.3533   1.9007   10.665   67.084   22.182   52.069   22.014 15.01499 31.25122 
1 1 1  -18   27    6 o   52.808   15.029   3.1966   6.8420  -2.0148   9.4456   8.9496   9.9242   44.757   19.799   60.859   22.617 -16.10112 30.05867 
1 1 1  -18   27    7 o  126.494   11.360   44.856   7.7582   43.488   10.704   46.370   11.260  124.510   15.910  128.477   16.219 -3.966682 22.71980 
1 1 1  -18   27    8 o  173.840   12.921   83.738   12.137   0.0000   0.0000   83.738   12.137  ?   ?   173.840   12.921      ?      ? 
1 1 1  -18   27    9 o  191.320   11.939  101.091   12.343   0.0000   0.0000  101.091   12.343  ?   ?   191.320   11.939      ?      ? 
1 1 1  -18   27   10 o   71.767   16.356   14.849   7.3172   11.406   10.286   18.376   10.411   65.291   23.204   78.242   23.059 -12.95081 32.71298 
1 1 1  -18   27   11 o  136.733   11.072   52.737   8.0227   40.471   11.118   66.063   11.589  119.525   17.214  153.942   13.931 -34.41712 22.14462 
1 1 1  -18   27   12 o   50.332   17.340 -14.2056   9.6907 -16.2185   25.558 -13.8676   10.473   63.416   29.708   37.248   17.891 26.16851 34.67904 
1 1 1  -18   27   13 o  144.511   19.149   52.106   10.627   85.743   29.087   46.924   11.417  160.230   34.606  128.792   16.404 31.43732 38.29754 
1 1 1  -18   27   14 o  133.128   15.892   52.909   9.4324   52.976   10.846   52.703   19.110  137.411   14.607  128.845   28.228 8.565948 31.78313 
1 1 1  -18   27   15 o   80.215   18.758   19.844   9.1501   21.771   10.692   14.570   17.689   84.297   22.884   76.133   29.727 8.163757 37.51536 
1 1 1  -18   27   16 o   87.414   15.688   23.312   7.7419   32.527   11.046   14.416   10.854  104.325   20.325   70.504   23.903 33.82163 31.37636 
1 1 1  -18   27   17 o   65.721   15.483   10.146   7.1527   1.1661   9.6502   21.094   10.655   48.559   20.749   82.883   22.987 -34.32372 30.96671 
1 1 1  -18   27   18 o   61.111   14.397   7.2133   7.1629   20.101   9.5253  -9.5584   10.866   81.213   21.403   41.009   19.262 40.20372 28.79476 
1 1 1  -18   27   19 o   48.646   14.710  -0.2434   6.9883  -4.9158   9.2845   5.8632   10.614   40.920   18.719   56.371   22.696 -15.45111 29.41955 
1 1 1  -18   27   20 o   64.305   15.640   11.626   6.9059   16.127   9.1677   5.7219   10.500   72.764   21.687   55.846   22.542 16.91758 31.28022 
1 1 1  -18   27   21 o  134.236   10.590   51.325   7.6426   55.383   10.620   46.965   11.007  140.158   14.022  128.316   15.875 11.84201 21.18084 
1 1 1  -18   27   22 o   65.453   15.726   10.914   7.4832   0.7582   10.778   20.366   10.398   50.033   21.659   80.874   22.807 -30.84107 31.45265 
1 1 1  -18   27   23 o   57.331   15.816   7.3839   7.0764   7.4641   10.047   7.3049   9.9690   57.508   22.418   57.154   22.317 0.3538361 31.63199 
1 1 1  -18   27   24 o  158.414   9.6430   70.624   8.2351   77.684   11.946   64.232   11.368  166.098   13.310  150.730   13.957 15.36780 19.28594 
1 1 1  -18   27   25 o   95.966   14.352   29.042   7.5294   15.069   10.750   42.500   10.549   70.380   23.789  121.551   16.061 -51.17041 28.70313 
1 1 1  -18   27   26 o   66.187   15.988   12.471   7.1709   18.415   10.271   6.8185   10.016   76.357   22.999   56.016   22.216 20.34102 31.97670 
1 1 1  -18   27   27 o  136.033   10.861   53.301   7.9684   50.831   11.415   55.648   11.128  132.644   15.926  139.421   14.771 -6.776871 21.72148 
1 1 1  -18   27   28 o   77.307   15.462   18.101   7.7079   30.952   10.963   5.5384   10.839   99.501   21.047   55.113   22.655 44.38787 30.92327 
1 1 1  -18   27   29 o   75.366   16.742   18.121   7.7134   22.410   11.090   14.101   10.735   82.924   23.613   67.807   23.741 15.11691 33.48433 
1 1 1  -18   27   30 o   90.364   15.912   26.076   7.7227   28.537   11.464   24.031   10.449   94.152   22.780   86.577   22.223 7.574905 31.82467 
1 1 1  -18   27   31 o  131.778   11.744   50.728   8.3435   55.585   12.057   46.265   11.557  138.091   16.158  125.465   17.047 12.62561 23.48833 
1 1 1  -18   27   32 f   71.836   16.487   16.002   7.7196   23.765   11.177   8.9215   10.674   84.727   23.559   58.945   23.071 25.78211 32.97483 
1 1 1  -18   27   33 o   59.478   16.497   9.2959   7.7202   10.019   11.283   8.6598   10.586   60.799   23.742   58.156   22.910 2.643055 32.99322 
1 1 1  -18   27   34 o   48.698   15.015   0.9945   7.5724  -3.4457   11.350   4.5565   10.166   45.515   20.773   51.882   21.687 -6.367226 30.03093 
1 1 1  -18   27   35 o   62.899   17.069   11.996   8.1490   11.147   11.861   12.755   11.215   61.909   24.295   63.890   23.984 -1.980537 34.13889 
1 1 1  -18   27   36 o   61.752   16.965   11.135   8.0227   15.842   12.642   7.9610   10.381   67.996   25.476   55.509   22.411 12.48666 33.93058 
1 1 1  -18   27   37 o   95.236   16.760   30.779   8.5589   36.481   13.050   26.476   11.338  102.922   23.920   87.549   23.481 15.37263 33.51948 
1 1 1  -18   27   38 o  170.188   15.816   51.539   10.761  206.509   28.090   24.882   11.650  255.785   20.323   84.590   24.240 171.1954 31.63242 
1 1 1  -18   27   39 o   48.071   16.601 -19.2092   11.485  -0.2511   21.981 -26.3288   13.470   60.260   28.004   35.882   17.839 24.37799 33.20298 
1 1 1  -18   27   40 o   52.449   25.197  -5.9347   20.796  -5.9347   20.796   0.0000   0.0000   52.449   25.197  ?   ?       ?      ? 
1 1 1  -18   27   41 o   55.535   17.621   5.8580   11.403   12.106   14.178  -5.5878   19.190   59.949   25.366   51.121   24.465 8.827915 35.24164 
1 1 1  -18   27   42 o   54.753   16.858   4.7068   10.100   14.302   13.384  -7.9842   15.393   63.199   25.471   46.307   22.092 16.89263 33.71694 
1 1 1  -18   27   43 o   62.804   18.582   15.554   10.527   10.534   13.921   22.261   16.090   56.733   24.587   68.874   27.868 -12.14067 37.16375 
1 1 1  -18   28    1 o  182.740   8.8555   93.331   8.6959  100.344   12.022   85.636   12.594  190.310   11.690  175.169   13.305 15.14066 17.71094 
1 1 1  -18   28    2 o  187.405   11.317   97.151   11.460   97.151   11.460   0.0000   0.0000  187.405   11.317  ?   ?       ?      ? 
1 1 1  -18   28    3 o   77.113   15.018   17.770   7.0145   26.891   9.8262   8.2907   10.017   94.862   19.809   59.365   22.579 35.49706 30.03654 
1 1 1  -18   28    4 f   56.958   14.979   6.6165   6.8976   13.517   8.9132  -3.6849   10.891   67.815   21.596   46.101   20.763 21.71424 29.95860 
1 1 1  -18   28    5 o  186.547   12.673   96.844   12.775   0.0000   0.0000   96.844   12.775  ?   ?   186.547   12.673      ?      ? 
1 1 1  -18   28    6 o   40.155   13.197  -9.2164   7.1485  -2.2613   9.9472 -16.6450   10.280   45.335   20.173   34.975   17.020 10.36021 26.39342 
1 1 1  -18   28    7 o   43.965   13.928  -6.4763   7.3426   3.1175   10.286 -16.4453   10.485   52.331   21.840   35.600   17.292 16.73128 27.85655 
1 1 1  -18   28    8 f  207.017   11.718  118.812   13.108   0.0000   0.0000  118.812   13.108  ?   ?   207.017   11.718      ?      ? 
1 1 1  -18   28    9 o   52.979   15.398   3.7617   7.1740   6.5535   9.9073   0.6843   10.402   56.413   22.183   49.545   21.363 6.868126 30.79689 
1 1 1  -18   28   10 o   37.802   12.677 -11.2772   7.0143 -15.6921   9.7994  -6.6386   10.045   34.259   16.658   41.346   19.115 -7.087486 25.35490 
1 1 1  -18   28   11 o  119.406   13.110   42.749   7.7803   25.736   10.831   60.891   11.184   91.568   22.134  147.244   14.056 -55.67645 26.21983 
1 1 1  -18   28   12 o   49.093   15.010   0.0344   7.3646  -3.1106   10.148   3.5344   10.705   44.761   20.112   53.424   22.287 -8.662727 30.01978 
1 1 1  -18   28   13 o   77.054   21.567   13.955   10.507   19.536   26.815   12.942   11.420   86.208   35.558   67.900   24.415 18.30767 43.13365 
1 1 1  -18   28   14 o  175.563   18.518  113.151   12.141   68.266   26.339  125.261   13.681  139.073   35.059  212.054   11.939 -72.98111 37.03627 
1 1 1  -18   28   15 o   80.913   18.696   20.569   8.8515   21.544   10.194   17.583   17.842   83.338   22.229   78.489   30.067 4.848259 37.39185 
1 1 1  -18   28   16 o  101.579   18.588   31.617   9.4695   29.476   11.100   37.342   18.152   97.935   21.558  105.223   30.288 -7.288177 37.17687 
1 1 1  -18   28   17 f  251.736   7.6082  175.944   10.331  169.237   14.863  182.213   14.370  246.857   11.142  256.616   10.363 -9.759155 15.21632 
1 1 1  -18   28   18 o  125.754   11.700   45.471   7.9326   44.125   11.490   46.697   10.965  123.678   17.192  127.829   15.875 -4.151199 23.40041 
1 1 1  -18   28   19 o  120.765   12.759   43.572   7.9023   33.721   11.320   52.938   11.037  105.133   20.662  136.398   14.975 -31.26464 25.51776 
1 1 1  -18   28   20 o  178.902   9.0713   90.229   8.7417   85.712   12.650   94.358   12.094  174.268   13.433  183.537   12.195 -9.268738 18.14253 
1 1 1  -18   28   21 o   55.395   15.431   3.3173   7.5980  -6.9054   10.568   14.258   10.932   41.864   19.442   68.926   23.967 -27.06195 30.86152 
1 1 1  -18   28   22 f  105.763   13.773   33.542   7.5953   24.268   10.332   44.448   11.204   87.791   21.862  123.736   16.757 -35.94505 27.54522 
1 1 1  -18   28   23 o   64.746   16.101   11.765   7.4922   4.2730   11.094   18.047   10.159   54.061   22.632   75.431   22.908 -21.37046 32.20165 
1 1 1  -18   28   24 o   64.046   16.369   11.851   7.3221   9.7455   10.463   13.872   10.250   60.665   23.076   67.426   23.221 -6.760361 32.73730 
1 1 1  -18   28   25 o  110.652   13.738   37.340   7.9624   31.730   11.235   43.002   11.286  100.379   21.368  120.924   17.273 -20.54522 27.47621 
1 1 1  -18   28   26 o   76.881   16.545   19.025   7.5806   15.472   10.652   22.670   10.790   70.158   23.681   83.604   23.112 -13.44626 33.08970 
1 1 1  -18   28   27 o  231.676   10.861  150.111   13.597   0.0000   0.0000  150.111   13.597  ?   ?   231.676   10.861      ?      ? 
1 1 1  -18   28   28 o  101.643   14.432   32.302   7.7597   41.396   11.068   23.512   10.882  118.386   17.302   84.899   23.103 33.48774 28.86365 
1 1 1  -18   28   29 o  113.099   13.763   39.502   8.1651   44.426   11.542   34.569   11.553  122.049   17.500  104.148   21.247 17.90117 27.52663 
1 1 1  -18   28   30 o  114.218   13.748   40.961   8.0246   28.593   11.288   53.598   11.410   93.266   22.628  135.169   15.621 -41.90228 27.49671 
1 1 1  -18   28   31 o  103.765   15.119   34.669   8.1914   33.682   11.773   35.596   11.405  101.772   22.045  105.759   20.697 -3.986977 30.23847 
1 1 1  -18   28   32 o   58.799   16.490   9.0972   7.9633   5.0982   11.522   12.755   11.019   53.826   22.826   63.773   23.806 -9.946648 32.98090 
1 1 1  -18   28   33 f   99.739   23.069   34.132   12.186   0.0000   0.0000   34.132   12.186  ?   ?    99.739   23.069      ?      ? 
1 1 1  -18   28   34 o   53.137   15.706   5.1477   7.6977   9.4229   10.883   0.8681   10.889   58.320   23.149   47.954   21.233 10.36638 31.41171 
1 1 1  -18   28   35 f   57.268   16.697   7.1390   8.4728   11.723   12.282   2.9765   11.704   62.867   24.706   51.668   22.468 11.19952 33.39449 
1 1 1  -18   28   36 o   48.805   16.667 -10.8916   9.8775  -1.2899   22.063 -13.2986   11.046   60.328   28.042   37.282   18.023 23.04613 33.33453 
1 1 1  -18   28   37 o   60.450   28.621   1.0818   24.870   1.0818   24.870   0.0000   0.0000   60.450   28.621  ?   ?       ?      ? 
1 1 1  -18   28   39 o   71.292   19.805   19.273   11.001   12.376   13.962   30.563   17.864   61.188   25.482   81.396   30.326 -20.20794 39.61063 
1 1 1  -18   28   40 o   50.924   16.693   0.3149   10.754  -2.2462   14.057   3.9302   16.701   47.468   22.171   54.380   24.961 -6.911629 33.38540 
1 1 1  -18   28   41 o   76.869   18.497   26.390   9.2116   25.586   14.523   26.931   11.915   73.643   27.362   80.094   24.897 -6.451088 36.99357 
1 1 1  -18   29    1 o  155.241   9.5575   67.729   7.9612   78.530   11.489   57.750   11.043  167.503   12.693  142.979   14.292 24.52364 19.11492 
1 1 1  -18   29    2 o   45.431   14.023  -2.5693   6.5971  -7.7433   8.5591   5.0031   10.355   36.357   17.083   54.505   22.243 -18.14761 28.04629 
1 1 1  -18   29    3 o  155.846   13.300   68.211   11.201   68.211   11.201   0.0000   0.0000  155.846   13.300  ?   ?       ?      ? 
1 1 1  -18   29    4 o   60.670   14.905   7.4358   6.9777  -3.4122   9.7499   18.826   9.9905   43.377   19.581   77.964   22.478 -34.58763 29.81072 
1 1 1  -18   29    5 o   67.263   16.000   12.640   6.9678   8.5252   9.2573   18.018   10.583   58.226   21.803   76.300   23.423 -18.07473 32.00026 
1 1 1  -18   29    6 o   73.605   16.211   16.010   7.2282   11.595   9.6350   21.693   10.932   63.990   22.486   83.220   23.356 -19.22965 32.42118 
1 1 1  -18   29    7 o   86.679   15.577   22.819   7.3230   18.430   9.7304   28.552   11.121   77.210   22.161   96.147   21.895 -18.93709 31.15339 
1 1 1  -18   29    8 o   78.744   16.009   19.313   7.1761   20.151   9.7383   18.316   10.615   80.677   21.815   76.812   23.437 3.864853 32.01806 
1 1 1  -18   29    9 o   43.909   13.815  -2.8331   6.8221   1.9233   9.0887  -8.9712   10.325   47.928   20.296   39.890   18.749 8.038147 27.63073 
1 1 1  -18   29   10 o   60.439   16.191   9.1553   7.2969   10.599   9.9872   7.5018   10.687   62.458   22.778   58.421   23.018 4.036942 32.38269 
1 1 1  -18   29   11 o   75.073   16.174   16.817   7.4741   10.118   10.239   24.459   10.935   61.842   22.975   88.304   22.770 -26.46198 32.34719 
1 1 1  -18   29   12 o   67.383   14.978   12.589   7.2994   23.062   9.6651  -1.3163   11.136   86.410   20.923   48.356   21.439 38.05440 29.95611 
1 1 1  -18   29   13 o   72.221   16.399   15.106   7.7975   6.8146   10.829   24.035   11.237   57.407   22.990   87.036   23.391 -29.62877 32.79778 
1 1 1  -18   29   14 o   83.884   16.346   26.017   10.354 -29.3243   25.242   37.213   11.353   55.247   26.834  112.522   18.672 -57.27495 32.69146 
1 1 1  -18   29   15 o   74.368   21.231   11.571   10.090   25.203   25.724   9.0921   10.969   88.071   35.376   60.666   23.486 27.40503 42.46294 
1 1 1  -18   29   16 o  191.638   20.019  109.730   20.730   0.0000   0.0000  109.730   20.730  ?   ?   191.638   20.019      ?      ? 
1 1 1  -18   29   17 o  114.855   18.394   40.974   10.085   38.965   11.622   47.095   20.288  114.760   18.742  114.950   31.656 -0.1896820 36.78788 
1 1 1  -18   29   18 o   91.240   15.928   26.612   7.8490   23.027   11.173   30.105   11.029   84.464   23.579   98.016   21.421 -13.55184 31.85678 
1 1 1  -18   29   19 o  116.707   13.533   41.612   8.1479   32.690   11.623   50.232   11.425  101.847   21.780  131.567   16.070 -29.72054 27.06657 
1 1 1  -18   29   20 o   83.284   13.934   19.266   7.9660   41.785   11.587  -0.9173   10.970  118.775   18.053   47.793   21.229 70.98228 27.86730 
1 1 1  -18   29   21 o  147.914   10.564   63.282   8.3894   70.801   11.840   55.700   11.890  157.381   13.922  138.447   15.893 18.93416 21.12795 
1 1 1  -18   29   22 o   85.690   16.247   24.028   7.9145   17.201   11.437   30.303   10.964   73.318   24.538   98.062   21.300 -24.74419 32.49352 
1 1 1  -18   29   23 o  119.303   12.599   42.117   8.1161   42.014   11.689   42.214   11.278  118.946   18.186  119.661   17.441 -0.7159653 25.19799 
1 1 1  -18   29   24 o   58.379   15.312   6.2038   7.4443  -5.2420   10.487   17.830   10.569   42.579   19.630   74.179   23.506 -31.60028 30.62490 
1 1 1  -18   29   25 o   54.198   16.091   4.8594   7.9763   3.8549   11.238   5.8791   11.322   52.913   22.495   55.484   23.014 -2.570652 32.18193 
1 1 1  -18   29   26 o   64.186   14.664   6.8448   7.7932 -11.9781   10.847   26.931   11.205   38.125   18.284   90.247   22.930 -52.12164 29.32751 
1 1 1  -18   29   27 o  126.695   12.036   47.941   8.1899   53.464   11.578   42.410   11.586  134.772   15.899  118.618   18.076 16.15430 24.07290 
1 1 1  -18   29   28 o   73.331   16.599   17.176   8.1790   7.1613   11.510   27.392   11.625   56.714   23.333   89.948   23.616 -33.23410 33.19862 
1 1 1  -18   29   29 f   46.387   14.666  -2.1666   7.8740   5.2916   11.023  -9.9371   11.251   53.048   22.402   39.725   18.934 13.32316 29.33175 
1 1 1  -18   29   30 o  100.906   15.510   34.394   8.2462   40.130   11.643   28.621   11.681  111.293   20.099   90.520   23.628 20.77261 31.02065 
1 1 1  -18   29   31 o   78.858   17.220   21.760   8.1663   18.056   11.429   25.624   11.673   72.162   24.528   85.555   24.178 -13.39356 34.44088 
1 1 1  -18   29   32 o   76.705   17.340   20.064   8.4643   27.627   12.198   13.040   11.755   88.927   24.569   64.482   24.476 24.44537 34.67999 
1 1 1  -18   29   33 o   50.204   16.288  -4.8232   9.4278 -10.5953   11.554   6.6757   16.308   39.982   19.093   60.426   26.394 -20.44393 32.57607 
1 1 1  -18   29   37 o   46.856   15.599  -4.3436   10.076  -2.2511   12.904  -7.6126   16.129   46.423   21.533   47.289   22.576 -0.8662262 31.19824 
1 1 1  -18   29   38 o  113.348   16.233   47.688   9.5334   52.815   14.570   43.849   12.607  117.631   23.740  109.065   22.147 8.566055 32.46669 
1 1 1  -18   30    1 o   73.908   15.452   15.840   7.2457   6.3920   9.8427   27.016   10.705   55.065   21.964   92.750   21.739 -37.68521 30.90336 
1 1 1  -18   30    2 o   66.830   15.915   13.366   7.0383   17.503   9.6126   8.5861   10.334   74.637   22.198   59.024   22.811 15.61293 31.82916 
1 1 1  -18   30    3 o   69.136   16.123   14.603   7.2330   18.875   9.8570   9.6191   10.646   77.310   22.339   60.962   23.256 16.34864 32.24697 
1 1 1  -18   30    4 o   52.834   14.179   0.0209   6.9559 -14.3654   9.5988   15.931   10.094   34.161   16.582   71.506   23.005 -37.34541 28.35852 
1 1 1  -18   30    5 o  114.494   12.497   38.389   7.7280   36.913   10.881   39.891   10.978  112.130   17.958  116.857   17.385 -4.727783 24.99455 
1 1 1  -18   30    6 o   73.036   15.992   15.236   7.1420   8.9649   9.1974   24.760   11.335   58.277   21.750   87.795   23.449 -29.51833 31.98335 
1 1 1  -18   30    7 o  136.090   11.295   53.740   8.2625   57.945   11.481   49.223   11.900  142.188   14.942  129.992   16.942 12.19586 22.58962 
1 1 1  -18   30    8 o  124.190   12.268   45.565   8.1233   49.539   11.016   40.828   12.027  131.122   15.547  117.258   18.981 13.86417 24.53567 
1 1 1  -18   30    9 o   76.836   16.296   19.087   7.6484   24.492   10.228   12.231   11.519   88.085   21.644   65.588   24.369 22.49780 32.59277 
1 1 1  -18   30   10 o   77.929   16.062   17.664   7.4505   10.004   9.5916   29.317   11.830   60.291   22.269   95.566   23.153 -35.27553 32.12416 
1 1 1  -18   30   11 o   55.582   15.740   4.3871   7.5945  -2.8119   10.270   13.072   11.281   44.574   20.111   66.590   24.220 -22.01640 31.48083 
1 1 1  -18   30   12 o  117.935   13.181   42.040   8.1145   47.474   11.349   36.357   11.606  127.613   16.458  108.256   20.593 19.35647 26.36183 
1 1 1  -18   30   13 o   74.643   16.610   17.791   7.9686   24.645   10.862   9.8027   11.726   87.424   22.767   61.861   24.190 25.56355 33.21923 
1 1 1  -18   30   14 o  143.999   10.868   60.907   8.2944   68.398   11.244   51.965   12.285  154.993   13.425  133.004   17.093 21.98865 21.73518 
1 1 1  -18   30   15 o   60.637   19.547  -0.7032   10.248   10.887   26.009  -2.8336   11.151   75.006   33.032   46.269   20.908 28.73666 39.09340 
1 1 1  -18   30   16 o   57.055   18.177   1.1118   10.607 -30.1802   27.933   6.3843   11.466   57.169   27.871   56.942   23.342 0.2271614 36.35434 
1 1 1  -18   30   17 o   62.678   18.416   6.6226   9.1971   3.6910   10.710   14.856   17.948   52.410   22.104   72.945   29.462 -20.53537 36.83194 
1 1 1  -18   30   18 o   68.721   18.918   10.113   9.1210   5.3242   10.583   23.941   17.985   54.184   22.343   83.258   30.535 -29.07418 37.83625 
1 1 1  -18   30   19 o   95.742   15.899   29.996   8.2029   36.933   11.483   22.768   11.722  108.813   20.275   82.671   24.496 26.14274 31.79824 
1 1 1  -18   30   20 o   72.261   16.169   14.984   8.0571   3.2567   11.020   28.454   11.810   51.877   22.170   92.645   23.542 -40.76883 32.33812 
1 1 1  -18   30   21 o   50.223   14.997   1.2637   7.5826   9.4304   10.352  -8.1915   11.138   59.087   22.832   41.359   19.450 17.72816 29.99384 
1 1 1  -18   30   22 o   47.751   14.695  -2.1916   7.7222 -12.6768   10.999   7.9997   10.844   38.021   18.281   57.481   23.011 -19.46012 29.38901 
1 1 1  -18   30   23 o   45.386   14.592  -2.9288   7.8280  -1.9956   10.803  -3.9603   11.358   45.724   20.628   45.049   20.644 0.6746979 29.18381 
1 1 1  -18   30   24 o   57.955   15.630   6.9914   7.6760   17.342   10.779  -3.6567   10.933   71.740   23.817   44.169   20.245 27.57077 31.25912 
1 1 1  -18   30   25 o  130.576   12.121   51.949   8.4757   44.049   11.803   60.359   12.178  119.275   18.313  141.877   15.885 -22.60117 24.24285 
1 1 1  -18   30   26 o  137.680   12.190   59.040   8.7637   72.854   12.216   44.393   12.579  157.059   14.394  118.300   19.678 38.75910 24.38082 
1 1 1  -18   30   27 o   89.638   16.236   27.362   8.1806   18.579   11.246   37.233   11.922   73.041   24.331  106.234   21.506 -33.19331 32.47279 
1 1 1  -18   30   28 o   76.998   16.975   19.779   8.3479   10.934   11.450   29.817   12.197   61.181   23.909   92.815   24.104 -31.63419 33.95092 
1 1 1  -18   30   29 o  119.064   16.690   45.997   10.088   40.188   12.650   56.149   16.723  110.466   21.965  127.662   25.136 -17.19596 33.38073 
1 1 1  -18   30   30 o   51.843   16.671  -0.4894   9.9845  -2.3806   12.856   2.3851   15.850   47.944   21.968   55.741   25.082 -7.796314 33.34175 
1 1 1  -18   30   31 o   60.073   18.143   11.369   10.371   10.991   13.820   11.856   15.690   59.229   25.051   60.917   26.252 -1.687462 36.28664 
1 1 1  -18   30   34 o   67.279   28.792   18.234   18.631   0.0000   0.0000   18.234   18.631  ?   ?    67.279   28.792      ?      ? 
1 1 1  -18   30   35 o   47.806   15.211   2.5885   8.3832   6.3073   11.311  -1.9436   12.487   50.800   22.090   44.813   20.919 5.987423 30.42278 
1 1 1  -18   31    1 o  205.372   12.468  119.224   13.836   0.0000   0.0000  119.224   13.836  ?   ?   205.372   12.468      ?      ? 
1 1 1  -18   31    2 o   86.015   15.478   24.271   7.4156   30.054   9.9767   17.132   11.085   98.840   19.372   73.191   24.146 25.64871 30.95628 
1 1 1  -18   31    3 o  111.639   13.365   37.625   7.5559   22.514   10.195   56.039   11.255   83.810   22.170  139.469   14.933 -55.65917 26.73053 
1 1 1  -18   31    4 o   51.493   14.998   4.4955   6.7476   5.9147   8.9583   2.6345   10.258   52.638   20.968   50.347   21.450 2.291809 29.99594 
1 1 1  -18   31    5 o  113.510   12.931   39.148   7.6076   44.072   10.414   33.513   11.140  123.311   15.629  103.710   20.605 19.60020 25.86166 
1 1 1  -18   31    6 o   49.096   14.806   1.0898   7.3105   6.8732   9.6794  -6.5899   11.154   55.137   21.848   43.056   19.988 12.08154 29.61206 
1 1 1  -18   31    7 o   64.283   16.708   11.527   7.8930   16.559   11.003   6.1941   11.328   72.105   24.069   56.461   23.179 15.64389 33.41564 
1 1 1  -18   31    8 o   62.039   16.716   10.495   7.7996   12.010   10.390   8.5391   11.806   63.989   23.248   60.090   24.026 3.898468 33.43237 
1 1 1  -18   31    9 o   47.117   14.719  -1.7691   7.4037  -6.3845   9.7799   4.4269   11.331   40.061   18.638   54.174   22.786 -14.11308 29.43747 
1 1 1  -18   31   10 o   57.127   16.251   6.9368   7.7105   4.2218   10.439   10.196   11.437   52.423   21.951   61.830   23.970 -9.407486 32.50194 
1 1 1  -18   31   11 o   67.348   16.883   13.640   7.6895   10.644   10.206   17.575   11.694   61.274   22.904   73.422   24.811 -12.14810 33.76669 
1 1 1  -18   31   12 o   39.403   13.240 -10.8868   7.7421  -6.3416   10.814 -15.6669   11.089   42.215   19.626   36.590   17.776 5.625145 26.47927 
1 1 1  -18   31   13 o   61.832   15.445   9.8375   7.5156   19.561   10.054  -2.4778   11.315   77.204   22.634   46.461   21.022 30.74294 30.89047 
1 1 1  -18   31   14 o  126.074   13.178   49.149   8.5672   56.716   11.797   40.704   12.462  139.038   15.701  113.111   21.168 25.92681 26.35551 
1 1 1  -18   31   15 o   67.454   16.070   11.989   8.0123  -0.0273   11.050   25.312   11.635   48.209   21.365   86.699   24.012 -38.48968 32.14094 
1 1 1  -18   31   16 o   62.704   19.948   4.2175   10.859   8.6982   27.382   3.3813   11.829   72.322   32.715   53.087   22.836 19.23511 39.89680 
1 1 1  -18   31   17 o   72.124   18.970   17.742   10.486  -5.4955   24.502   22.952   11.602   62.049   29.074   82.200   24.374 -20.15014 37.93908 
1 1 1  -18   31   18 f   47.149   15.665  -6.5156   9.4121  -4.5784   11.145 -11.3333   17.576   43.944   20.252   50.354   23.904 -6.410572 31.32983 
1 1 1  -18   31   19 o   72.839   18.630   19.126   9.8525   23.212   11.462   7.5653   19.281   81.650   24.229   64.028   28.307 17.62230 37.26020 
1 1 1  -18   31   20 o  110.314   14.958   39.920   8.6656   49.190   12.408   31.094   12.107  126.037   18.219   94.590   23.728 31.44735 29.91563 
1 1 1  -18   31   21 o   41.566   13.686  -6.6597   7.7368  -0.4030   10.350 -14.5842   11.648   45.517   20.391   37.614   18.260 7.903339 27.37237 
1 1 1  -18   31   22 o   96.008   15.460   32.355   8.4398   45.061   11.480   17.411   12.450  121.326   17.510   70.691   25.485 50.63522 30.92062 
1 1 1  -18   31   23 o  125.740   15.900   48.174   10.226   35.792   12.647   71.554   17.379  102.630   23.333  148.851   21.606 -46.22074 31.80017 
1 1 1  -18   31   24 o  111.860   17.692   40.953   10.108   33.819   12.525   54.279   17.119   99.610   23.626  124.109   26.341 -24.49921 35.38405 
1 1 1  -18   31   25 o  114.326   17.571   41.841   11.304   20.462   14.405   76.104   18.236   75.460   27.380  153.191   22.030 -77.73104 35.14249 
1 1 1  -18   31   26 o  133.388   16.654   61.320   11.340   65.113   14.760   55.856   17.715  143.766   18.999  123.009   27.359 20.75794 33.30879 
1 1 1  -18   31   27 o   86.991   20.047   32.109   10.667   31.126   13.439   33.784   17.537   88.326   26.241   85.656   30.313 2.670845 40.09356 
1 1 1  -18   31   28 o   52.746   16.600  -0.9678   10.154 -16.0991   13.355   19.764   15.632   38.300   18.798   67.192   27.365 -28.89139 33.19949 
1 1 1  -18   31   29 o   95.463   32.171   44.617   19.660   0.0000   0.0000   44.617   19.660  ?   ?    95.463   32.171      ?      ? 
1 1 1  -18   31   30 o   39.157   19.605 -33.3333   17.560   0.0000   0.0000 -33.3333   17.560  ?   ?    39.157   19.605      ?      ? 
1 1 1  -18   31   31 o   80.350   21.975   34.416   14.745   20.946   22.974   43.851   19.227   67.593   30.324   93.107   31.813 -25.51435 43.94998 
1 1 1  -18   31   32 o   60.103   17.069   13.849   8.5226   10.331   11.703   17.822   12.436   55.283   23.199   64.923   25.043 -9.639885 34.13745 
1 1 1  -18   32    1 o  113.276   13.610   39.485   7.8235   24.219   10.546   58.167   11.667   85.633   22.499  140.920   15.321 -55.28702 27.22015 
1 1 1  -18   32    2 o  167.084   9.5643   79.695   8.5823   74.577   11.400   86.393   13.039  161.275   13.081  172.893   13.957 -11.61751 19.12867 
1 1 1  -18   32    3 o   40.403   13.266  -7.2637   7.2614  -0.6575   9.4990 -16.5519   11.263   44.469   19.754   36.338   17.712 8.130436 26.53135 
1 1 1  -18   32    4 o   70.508   17.032   15.580   7.7727   11.715   10.125   21.126   12.128   62.413   22.908   78.602   25.209 -16.18867 34.06306 
1 1 1  -18   32    5 o   51.338   14.964   2.1589   7.6057   11.429   10.017 -10.4640   11.688   61.835   22.771   40.841   19.419 20.99364 29.92702 
1 1 1  -18   32    6 o   65.411   14.951   12.362   7.6234   23.646   9.7468  -5.4179   12.234   85.313   21.228   45.509   21.059 39.80386 29.90186 
1 1 1  -18   32    7 o   62.315   16.985   11.206   8.1211   12.778   10.897   9.2415   12.180   64.385   23.745   60.246   24.292 4.139729 33.96938 
1 1 1  -18   32    8 o   54.872   16.136   3.3263   8.1298  -3.7146   10.576   13.497   12.711   43.535   19.939   66.209   25.375 -22.67416 32.27110 
1 1 1  -18   32    9 o   68.869   16.510   13.726   7.7923   5.5488   10.231   25.020   12.024   52.864   21.898   84.873   24.715 -32.00859 33.02085 
1 1 1  -18   32   10 o   52.465   15.508   2.8911   8.0199   11.658   10.961  -7.2095   11.765   62.066   23.616   42.865   20.105 19.20050 31.01504 
1 1 1  -18   32   11 o   61.543   16.421   11.314   7.5149   8.1648   10.263   14.954   11.035   56.063   22.406   67.023   24.011 -10.95984 32.84125 
1 1 1  -18   32   12 o   68.097   16.660   15.309   7.9695   22.213   11.024   7.7507   11.535   79.621   23.793   56.573   23.326 23.04824 33.31974 
1 1 1  -18   32   13 o   59.340   16.831   9.9442   8.2208   10.384   11.315   9.4520   11.964   59.718   23.635   58.963   23.969 0.7544441 33.66177 
1 1 1  -18   32   14 f   38.928   13.258 -12.4084   8.0259 -15.4269   10.466  -8.0996   12.505   34.646   16.928   43.209   20.409 -8.563290 26.51525 
1 1 1  -18   32   15 o   52.091   16.296   1.6429   9.3146   6.8883   11.830  -6.9144   15.110   55.792   23.364   48.390   22.724 7.402409 32.59244 
1 1 1  -18   32   16 o   38.982   13.467 -17.0095   9.0148 -16.0193   11.417 -18.6486   14.690   36.515   17.806   41.448   20.208 -4.933189 26.93354 
1 1 1  -18   32   17 o   58.812   25.676   5.7207   15.414   0.0000   0.0000   5.7207   15.414  ?   ?    58.812   25.676      ?      ? 
1 1 1  -18   32   18 o   99.160   29.653   37.928   17.119   0.0000   0.0000   37.928   17.119  ?   ?    99.160   29.653      ?      ? 
1 1 1  -18   32   19 o  110.758   23.837   41.644   13.844   41.644   13.844   0.0000   0.0000  110.758   23.837  ?   ?       ?      ? 
1 1 1  -18   32   20 o   52.221   22.835   2.9257   12.234   2.9257   12.234   0.0000   0.0000   52.221   22.835  ?   ?       ?      ? 
1 1 1  -18   32   21 o   50.785   16.363  -3.2516   9.9801 -11.3198   13.212   7.4707   15.231   42.302   20.259   59.269   25.702 -16.96747 32.72656 
1 1 1  -18   32   22 o   43.908   14.937 -11.1489   9.5032 -16.1937   11.677  -1.2550   16.353   36.064   17.675   51.751   24.084 -15.68718 29.87436 
1 1 1  -18   32   23 f   55.511   17.432   6.5126   10.475   0.0449   13.929   14.930   15.891   48.567   22.473   62.455   26.655 -13.88866 34.86449 
1 1 1  -18   32   24 o   66.300   18.080   17.828   9.1708   19.381   13.168   16.365   12.780   68.286   25.908   64.314   25.225 3.971413 36.15974 
1 1 1  -18   32   25 o   45.304   14.893  -3.7843   8.8185  -8.2614   12.026   1.4225   12.969   41.031   19.562   49.576   22.462 -8.544601 29.78652 
1 1 1  -18   32   26 o   52.952   17.640  -2.4953   10.876   10.644   22.123  -6.6827   12.489   63.066   28.867   42.838   20.282 20.22836 35.27994 
1 1 1  -18   32   27 o   48.573   16.676 -10.1213   13.501 -12.7950   21.753  -8.4459   17.220   49.863   24.371   47.283   22.769 2.579601 33.35291 
1 1 1  -18   32   28 o  102.816   23.389   57.796   14.773   60.766   24.846   56.171   18.374   96.256   35.784  109.377   30.128 -13.12185 46.77771 
1 1 1  -18   33    1 o   43.124   14.554 -12.4694   9.1855 -18.4167   11.909  -3.7365   14.431   36.395   17.840   49.853   23.000 -13.45779 29.10761 
1 1 1  -18   33    2 o   44.417   14.313  -7.4243   8.6038   4.8176   10.672 -30.1577   14.543   52.204   22.043   36.631   18.263 15.57249 28.62616 
1 1 1  -18   33    3 o   51.165   16.069   1.1269   8.9558   4.8266   11.307  -5.1014   14.671   53.082   22.565   49.248   22.884 3.833141 32.13810 
1 1 1  -18   33    4 o   33.392   16.895 -43.7387   15.016   0.0000   0.0000 -43.7387   15.016  ?   ?    33.392   16.895      ?      ? 
1 1 1  -18   33    5 o  155.933   17.446   89.457   13.058  143.131   18.357   34.482   18.579  219.542   15.474   92.324   31.273 127.2183 34.89225 
1 1 1  -18   33   12 o   45.402   15.536 -15.4410   11.226 -15.2027   14.172 -15.8423   18.392   42.267   20.429   48.536   23.413 -6.268570 31.07250 
1 1 1  -18   33   13 f   48.025   15.740  -8.2650   10.497   4.4617   13.733 -26.1486   16.280   55.265   24.178   40.784   20.158 14.48036 31.47905 
1 1 1  -18   33   14 o   57.553   17.508   7.3139   9.8100   9.4865   12.412   3.6982   16.013   58.722   24.203   56.385   25.304 2.337170 35.01571 
1 1 1  -18   33   15 o   74.087   18.756   22.267   9.9311   26.261   12.581   15.662   16.177   82.291   25.584   65.884   27.433 16.40719 37.51127 
1 1 1  -18   33   16 o   54.810   16.572   7.9340   8.7832   11.336   12.529   4.6473   12.316   58.486   24.230   51.133   22.614 7.353630 33.14338 
1 1 1  -18   33   17 o   88.566   17.499   31.983   9.2865   42.725   13.091   21.101   13.176  106.765   23.342   70.367   26.078 36.39720 34.99883 
1 1 1  -18   33   18 o   48.110   16.210  -3.3831   10.712 -13.4392   22.161  -0.3175   12.236   49.954   24.454   46.267   21.284 3.686298 32.41979 
1 1 1  -18   33   19 o   52.564   17.643  -7.5325   10.671   18.806   22.371 -15.2906   12.141   67.958   30.245   37.170   18.176 30.78814 35.28612 
1 1 1  -18   33   20 o   59.635   17.913   10.813   10.003   13.690   11.667   2.8311   19.437   62.320   24.196   56.951   26.420 5.368824 35.82548 
1 1 1  -18   33   21 f   94.922   20.478   30.340   9.7245   22.865   10.874   60.203   21.734   77.795   23.717  112.049   33.390 -34.25424 40.95562 
1 1 1  -18   33   22 o   51.174   15.737   4.8930   8.3153  -0.8642   11.537   11.116   11.995   44.868   20.651   57.480   23.752 -12.61202 31.47399 
1 1 1  -18   33   23 o   50.102   16.936  -1.0511   11.298  -3.6622   24.215  -0.3245   12.774   53.933   26.216   46.270   21.449 7.663429 33.87256 
1 1 1  -18   33   24 o   58.035   18.885   7.3753   15.003 -17.4347   24.042   23.198   19.200   48.769   24.174   67.300   29.021 -18.53128 37.77097 
1 1 1  -18   34    1 o   52.324   15.639   7.0488   7.9707   12.005   10.474   0.2293   12.286   58.051   22.814   46.598   21.396 11.45310 31.27763 
1 1 1  -18   34    2 o   45.496   14.698   0.3399   8.0349   1.1757   10.707  -0.7376   12.157   45.337   20.487   45.655   21.079 -0.3185272 29.39515 
1 1 1  -18   34    3 o   67.295   14.799   13.734   8.2347   32.992   11.270  -8.3269   12.062   94.326   22.437   40.264   19.303 54.06171 29.59755 
1 1 1  -18   34    4 f   66.616   16.891   17.373   8.3165   24.437   11.371   9.2485   12.195   78.090   24.330   55.143   23.438 22.94619 33.78288 
1 1 1  -18   34    5 o   64.268   17.384   15.326   8.4434   10.077   11.004   22.840   13.166   55.586   22.836   72.951   26.217 -17.36495 34.76780 
1 1 1  -18   34    6 o   68.202   17.353   17.558   8.4041   10.530   11.110   26.960   12.850   56.307   23.016   80.098   25.975 -23.79158 34.70547 
1 1 1  -18   34    7 o   37.646   12.991 -13.8929   8.6509 -11.9773   11.916 -16.0279   12.580   38.090   18.486   37.203   18.256 0.8872948 25.98126 
1 1 1  -18   34    8 o   46.442   15.104  -0.8997   8.8016   2.6010   11.650  -5.5553   13.435   48.394   21.660   44.490   21.056 3.904339 30.20807 
1 1 1  -18   34    9 o   62.033   17.654   13.511   9.1050   10.173   12.403   17.412   13.409   57.425   23.975   66.642   25.920 -9.217182 35.30825 
1 1 1  -18   34   10 o   65.812   15.243   12.387   8.7720   30.171   11.384 -13.6023   13.762   90.750   23.143   40.875   19.845 49.87503 30.48618 
1 1 1  -18   34   11 o   44.818   14.662  -2.5989   8.3827  -0.6145   11.121  -5.2101   12.757   45.331   20.640   44.305   20.829 1.026394 29.32392 
1 1 1  -18   34   12 o   74.406   16.767   21.004   8.4638   30.192   11.485   10.082   12.522   90.866   23.284   57.946   24.132 32.92039 33.53386 
1 1 1  -18   34   13 o   45.517   14.757  -1.5111   8.3126   1.8412   11.258  -5.5290   12.326   47.714   21.329   43.319   20.400 4.395119 29.51396 
1 1 1  -18   34   14 o   50.292   15.390   4.2304   8.0846   9.9389   10.650  -3.5329   12.420   56.043   22.674   44.541   20.816 11.50198 30.77969 
1 1 1  -18   34   15 o   65.384   17.393   16.884   8.3064   16.003   11.076   18.017   12.557   64.229   23.889   66.539   25.287 -2.310097 34.78674 
1 1 1  -18   34   16 o   62.047   15.255   11.229   8.3307   27.782   11.173  -9.4996   12.502   84.053   23.619   40.042   19.312 44.01176 30.50951 
1 1 1  -18   34   17 o   85.337   17.880   30.597   8.8645   28.080   12.451   33.184   12.624   81.052   25.492   89.623   25.079 -8.571365 35.76052 
1 1 1  -18   35    1 o   40.244   13.210  -1.9901   6.7919  -5.0000   11.222  -0.2503   8.5319   40.515   19.195   39.972   18.153 0.5425568 26.41952 
1 1 1  -18   35    2 o   39.740   13.293  -4.3432   7.0955  -5.2485   8.7224  -2.5722   12.200   35.832   16.961   43.647   20.472 -7.815346 26.58516 
1 1 1  -18   35    3 o   70.677   17.295   19.891   8.0950   13.827   10.463   28.935   12.777   59.750   22.992   81.605   25.843 -21.85431 34.59034 
1 1 1  -18   35    4 o   93.843   15.866   34.866   8.4002   42.990   11.311   24.874   12.544  112.417   18.620   75.269   25.696 37.14835 31.73295 
1 1 1  -18   35    5 o   53.135   15.856   8.6737   8.0329   12.329   10.560   3.6547   12.375   57.506   22.810   48.764   22.032 8.741608 31.71259 
1 1 1  -17    0    1 o  423.391   5.6080  485.063   18.130  485.063   18.130  485.063   18.130  423.391   7.9309  423.391   7.9309 0.000000 0.000000 
1 1 1  -17    0    2 o  249.492   4.0478  168.485   7.7083  168.485   7.7083  168.485   7.7083  249.492   5.7244  249.492   5.7244 0.000000 0.000000 
1 1 1  -17    0    3 o  841.252   10.218  1916.73   65.643  1916.73   65.643  1916.73   65.643  841.252   14.450  841.252   14.450 0.000000 0.000000 
1 1 1  -17    0    4 o  315.860   4.5817  269.979   11.049  269.979   11.049  269.979   11.049  315.860   6.4795  315.860   6.4795 0.000000 0.000000 
1 1 1  -17    0    5 o  776.381   9.4761  1632.19   56.184  1632.19   56.184  1632.19   56.184  776.381   13.401  776.381   13.401 0.000000 0.000000 
1 1 1  -17    0    6 o  112.068   4.2451   34.233   3.6117   34.233   3.6117   34.233   3.6117  112.068   6.0035  112.068   6.0035 0.000000 0.000000 
1 1 1  -17    0    7 o  138.967   3.9106   52.437   4.1380   52.437   4.1380   52.437   4.1380  138.967   5.5304  138.967   5.5304 0.000000 0.000000 
1 1 1  -17    0    8 o  788.175   9.6201  1682.17   57.905  1682.17   57.905  1682.17   57.905  788.175   13.605  788.175   13.605 0.000000 0.000000 
1 1 1  -17    0    9 o  477.560   6.2034  617.144   22.622  617.144   22.622  617.144   22.622  477.560   8.7729  477.560   8.7729 0.000000 0.000000 
1 1 1  -17    0   10 o  111.543   4.4036   33.938   3.7269   33.938   3.7269   33.938   3.7269  111.543   6.2276  111.543   6.2276 0.000000 0.000000 
1 1 1  -17    0   13 o  829.894   14.349  1869.14   90.879  1869.14   90.879  1869.14   90.879  829.894   20.293  829.894   20.293 0.000000 0.000000 
1 1 1  -17    0   14 o  653.229   8.1335  1154.94   40.574  1154.94   40.574  1154.94   40.574  653.229   11.503  653.229   11.503 0.000000 0.000000 
1 1 1  -17    0   15 o  182.931   4.0798   90.701   5.6905   90.701   5.6905   90.701   5.6905  182.931   5.7697  182.931   5.7697 0.000000 0.000000 
1 1 1  -17    0   16 o  891.468   10.818  2151.87   73.647  2151.87   73.647  2151.87   73.647  891.468   15.299  891.468   15.299 0.000000 0.000000 
1 1 1  -17    0   17 o  664.191   8.2785  1193.88   41.990  1193.88   41.990  1193.88   41.990  664.191   11.708  664.191   11.708 0.000000 0.000000 
1 1 1  -17    0   18 o  117.698   5.2349   37.881   4.6658   37.881   4.6658   37.881   4.6658  117.698   7.4033  117.698   7.4033 0.000000 0.000000 
1 1 1  -17    0   19 o  609.790   7.6922  1006.21   35.820  1006.21   35.820  1006.21   35.820  609.790   10.878  609.790   10.878 0.000000 0.000000 
1 1 1  -17    0   20 o  895.848   10.888  2172.65   74.490  2172.65   74.490  2172.65   74.490  895.848   15.398  895.848   15.398 0.000000 0.000000 
1 1 1  -17    0   21 o  219.703   4.5151  130.769   7.5662  130.769   7.5662  130.769   7.5662  219.703   6.3854  219.703   6.3854 0.000000 0.000000 
1 1 1  -17    0   22 o  407.246   5.6821  448.735   17.668  448.735   17.668  448.735   17.668  407.246   8.0356  407.246   8.0356 0.000000 0.000000 
1 1 1  -17    0   23 o  870.114   10.614  2049.16   70.529  2049.16   70.529  2049.16   70.529  870.114   15.010  870.114   15.010 0.000000 0.000000 
1 1 1  -17    0   24 o  1404.36   16.766  5345.42  179.814  5345.42  179.814  5345.42  179.814  1404.36   23.710  1404.36   23.710 0.000000 0.000000 
1 1 1  -17    0   25 o  773.155   9.5503  1617.82   56.388  1617.82   56.388  1617.82   56.388  773.155   13.506  773.155   13.506 0.000000 0.000000 
1 1 1  -17    0   26 o  323.843   5.4510  283.908   13.473  283.908   13.473  283.908   13.473  323.843   7.7089  323.843   7.7089 0.000000 0.000000 
1 1 1  -17    0   27 o  1373.05   16.425  5110.20  172.235  5110.20  172.235  5110.20  172.235  1373.05   23.229  1373.05   23.229 0.000000 0.000000 
1 1 1  -17    0   28 o  305.344   5.3930  252.443   12.566  252.443   12.566  252.443   12.566  305.344   7.6268  305.344   7.6268 0.000000 0.000000 
1 1 1  -17    0   29 f  711.723   8.9127  1371.00   48.442  1371.00   48.442  1371.00   48.442  711.723   12.605  711.723   12.605 0.000000 0.000000 
1 1 1  -17    0   30 o  982.456   11.933  2614.43   89.533  2614.43   89.533  2614.43   89.533  982.456   16.876  982.456   16.876 0.000000 0.000000 
1 1 1  -17    0   31 o  411.608   6.1826  458.578   19.427  458.578   19.427  458.578   19.427  411.608   8.7435  411.608   8.7435 0.000000 0.000000 
1 1 1  -17    0   32 o  791.099   9.8434  1694.42   59.467  1694.42   59.467  1694.42   59.467  791.099   13.921  791.099   13.921 0.000000 0.000000 
1 1 1  -17    0   33 f  192.225   7.0644  100.705   10.313  100.705   10.313  100.705   10.313  192.225   9.9906  192.225   9.9906 0.000000 0.000000 
1 1 1  -17    0   34 o  773.638   9.6705  1620.69   57.133  1620.69   57.133  1620.69   57.133  773.638   13.676  773.638   13.676 0.000000 0.000000 
1 1 1  -17    0   35 o  891.792   10.983  2154.38   74.800  2154.38   74.800  2154.38   74.800  891.792   15.533  891.792   15.533 0.000000 0.000000 
1 1 1  -17    0   36 o  491.505   6.9168  654.015   25.957  654.015   25.957  654.015   25.957  491.505   9.7818  491.505   9.7818 0.000000 0.000000 
1 1 1  -17    0   37 o  131.717   9.1045   48.273   8.9633   48.273   8.9633   48.273   8.9633  131.717   12.876  131.717   12.876 0.000000 0.000000 
1 1 1  -17    0   38 o  712.404   9.0348  1374.88   49.151  1374.88   49.151  1374.88   49.151  712.404   12.777  712.404   12.777 0.000000 0.000000 
1 1 1  -17    0   39 o   49.793   17.715   9.9186   8.3084   9.9186   8.3084   9.9186   8.3084   49.793   25.053   49.793   25.053 0.000000 0.000000 
1 1 1  -17    0   40 o  103.381   12.152   31.264   8.8027   31.264   8.8027   31.264   8.8027  103.381   17.186  103.381   17.186 0.000000 0.000000 
1 1 1  -17    0   43 o  143.531   8.0999   56.869   8.7543   56.869   8.7543   56.869   8.7543  143.531   11.455  143.531   11.455 0.000000 0.000000 
1 1 1  -17    0   44 o  586.445   7.6945  932.824   34.456  932.824   34.456  932.824   34.456  586.445   10.882  586.445   10.882 0.000000 0.000000 
1 1 1  -17    0   45 o   65.575   16.341   15.405   7.4356   15.405   7.4356   15.405   7.4356   65.575   23.110   65.575   23.110 0.000000 0.000000 
1 1 1  -17    0   46 o  106.532   10.128   32.468   7.8264   32.468   7.8264   32.468   7.8264  106.532   14.323  106.532   14.323 0.000000 0.000000 
1 1 1  -17    0   47 o  376.243   5.8955  383.953   16.932  383.953   16.932  383.953   16.932  376.243   8.3375  376.243   8.3375 0.000000 0.000000 
1 1 1  -17    0   48 o  252.487   5.8065  173.269   11.177  173.269   11.177  173.269   11.177  252.487   8.2117  252.487   8.2117 0.000000 0.000000 
1 1 1  -17    0   49 o   54.352   16.928   11.709   7.3731   11.709   7.3731   11.709   7.3731   54.352   23.940   54.352   23.940 0.000000 0.000000 
1 1 1  -17    0   50 o  334.333   5.8193  303.599   14.848  303.599   14.848  303.599   14.848  334.333   8.2298  334.333   8.2298 0.000000 0.000000 
1 1 1  -17    0   51 o  133.403   7.8475   49.416   7.8728   49.416   7.8728   49.416   7.8728  133.403   11.098  133.403   11.098 0.000000 0.000000 
1 1 1  -17    0   52 o  299.309   5.5807  243.577   12.745  243.577   12.745  243.577   12.745  299.309   7.8924  299.309   7.8924 0.000000 0.000000 
1 1 1  -17    0   53 o  198.300   6.3784  107.537   9.6203  107.537   9.6203  107.537   9.6203  198.300   9.0204  198.300   9.0204 0.000000 0.000000 
1 1 1  -17    0   54 o  232.463   5.9034  147.441   10.457  147.441   10.457  147.441   10.457  232.463   8.3487  232.463   8.3487 0.000000 0.000000 
1 1 1  -17    0   55 o  138.692   8.0016   53.610   8.3508   53.610   8.3508   53.610   8.3508  138.692   11.316  138.692   11.316 0.000000 0.000000 
1 1 1  -17    0   56 o  139.064   7.9384   53.953   8.3098   53.953   8.3098   53.953   8.3098  139.064   11.227  139.064   11.227 0.000000 0.000000 
1 1 1  -17    0   57 o   72.202   16.021   18.317   7.7605   18.317   7.7605   18.317   7.7605   72.202   22.657   72.202   22.657 0.000000 0.000000 
1 1 1  -17    0   58 o   31.013   14.091   0.7801   7.6276   0.7801   7.6276   0.7801   7.6276   31.013   19.928   31.013   19.928 0.000000 0.000000 
1 1 1  -17    0   59 f  142.181   7.9998   56.607   8.5655   56.607   8.5655   56.607   8.5655  142.181   11.313  142.181   11.313 0.000000 0.000000 
1 1 1  -17    0   60 f  369.501   6.1260  373.613   17.277  373.613   17.277  373.613   17.277  369.501   8.6635  369.501   8.6635 0.000000 0.000000 
1 1 1  -17    0   61 o  138.975   8.6355   54.610   9.0083   54.610   9.0083   54.610   9.0083  138.975   12.212  138.975   12.212 0.000000 0.000000 
1 1 1  -17    0   62 o   35.174   15.406   3.3778   8.2307   3.3778   8.2307   3.3778   8.2307   35.174   21.788   35.174   21.788 0.000000 0.000000 
1 1 1  -17    0   63 o  143.758   8.5407   58.759   9.2303   58.759   9.2303   58.759   9.2303  143.758   12.078  143.758   12.078 0.000000 0.000000 
1 1 1  -17    0   64 o   17.696   9.2287 -27.0639   9.1949 -27.0639   9.1949 -27.0639   9.1949   17.696   13.051   17.696   13.051 0.000000 0.000000 
1 1 1  -17    0   65 o   29.903   14.238  -2.2811   9.3351  -2.2811   9.3351  -2.2811   9.3351   29.903   20.135   29.903   20.135 0.000000 0.000000 
1 1 1  -17    0   66 o  231.364   6.5129  149.277   11.474  149.277   11.474  149.277   11.474  231.364   9.2107  231.364   9.2107 0.000000 0.000000 
1 1 1  -17    1    1 o  282.684   4.2838  215.797   6.5389  221.665   9.4691  210.449   9.0406  286.351   6.1196  279.016   5.9962 7.335541 8.567632 
1 1 1  -17    1    2 o  368.139   5.0550  366.442   10.056  364.428   14.199  368.468   14.243  367.124   7.1577  369.154   7.1400 -2.029816 10.10999 
1 1 1  -17    1    3 o  484.194   6.2410  634.046   16.327  640.418   23.325  627.924   22.862  486.576   8.8711  481.812   8.7810 4.764069 12.48210 
1 1 1  -17    1    4 o  368.190   5.0677  366.550   10.082  365.088   14.265  368.010   14.252  367.455   7.1841  368.924   7.1493 -1.468964 10.13531 
1 1 1  -17    1    5 o  677.177   8.3573  1241.49   30.580  1235.92   43.074  1247.16   43.423  675.648   11.798  678.706   11.840 -3.058472 16.71452 
1 1 1  -17    1    6 o  281.220   4.3241  213.373   6.5642  204.268   9.0393  223.532   9.5478  274.886   6.0855  287.554   6.1446 -12.66824 8.648105 
1 1 1  -17    1    7 o  589.084   7.3864  938.947   23.510  929.923   32.957  948.297   33.547  586.206   10.404  591.962   10.487 -5.755676 14.77277 
1 1 1  -17    1    8 o  358.937   5.0149  348.002   9.7207  357.734   14.056  339.080   13.458  363.741   7.1511  354.134   7.0328 9.606354 10.02985 
1 1 1  -17    1    9 o  317.775   4.6497  272.759   7.9797  279.876   11.525  266.204   11.060  321.751   6.6286  313.797   6.5224 7.954010 9.299438 
1 1 1  -17    1   10 o  308.751   5.6197  256.913   8.8351  255.210   10.798  260.360   15.367  307.252   6.5038  310.249   9.1665 -2.996582 11.23937 
1 1 1  -17    1   13 o  595.680   10.654  943.264   33.795  1067.12   53.589  861.486   43.546  627.439   15.806  563.921   14.290 63.51782 21.30813 
1 1 1  -17    1   14 o  594.139   7.4799  955.088   24.014  957.335   34.057  952.865   33.866  594.833   10.596  593.445   10.561 1.387512 14.95987 
1 1 1  -17    1   15 o  846.874   10.311  1942.56   47.185  1933.10   66.419  1952.19   67.046  844.799   14.550  848.950   14.615 -4.150940 20.62252 
1 1 1  -17    1   16 o  453.267   6.0249  555.339   14.754  546.294   20.604  564.857   21.136  449.482   8.4830  457.052   8.5578 -7.569794 12.04977 
1 1 1  -17    1   17 o  803.336   9.8224  1747.13   42.638  1741.04   60.091  1753.30   60.509  801.930   13.867  804.743   13.915 -2.812561 19.64482 
1 1 1  -17    1   18 o  365.240   5.2271  360.626   10.316  359.542   14.581  361.714   14.598  364.690   7.3988  365.790   7.3856 -1.100098 10.45419 
1 1 1  -17    1   19 o  471.634   6.2490  601.430   15.925  604.396   22.628  598.519   22.417  472.785   8.8572  470.483   8.8175 2.302338 12.49792 
1 1 1  -17    1   20 o  358.728   5.1978  347.853   10.076  349.439   14.289  346.285   14.210  359.541   7.3545  357.915   7.3472 1.626038 10.39567 
1 1 1  -17    1   21 o  332.787   5.0265  299.099   9.0346  307.453   13.025  291.352   12.542  337.261   7.1471  328.313   7.0697 8.948059 10.05292 
1 1 1  -17    1   22 o  922.730   11.196  2304.96   55.825  2299.39   78.763  2310.59   79.136  921.611   15.816  923.849   15.852 -2.238220 22.39242 
1 1 1  -17    1   23 o  1177.56   14.137  3757.59   89.947  3791.02  128.382  3725.36  126.058  1182.69   20.089  1172.43   19.897 10.25269 28.27462 
1 1 1  -17    1   24 o  1033.69   12.475  2894.34   69.682  2892.65   98.478  2896.03   98.612  1033.39   17.636  1033.99   17.649 -0.6007080 24.95010 
1 1 1  -17    1   25 o  890.073   10.848  2144.76   52.172  2135.59   73.442  2154.10   74.127  888.157   15.303  891.988   15.379 -3.831421 21.69537 
1 1 1  -17    1   26 o  221.183   5.5525  131.982   6.6281  127.074   9.0992  137.531   9.6741  216.812   7.7666  225.555   7.9373 -8.742172 11.10502 
1 1 1  -17    1   27 o  579.471   7.5125  907.973   23.520  898.958   32.910  917.385   33.626  576.535   10.564  582.407   10.685 -5.872314 15.02501 
1 1 1  -17    1   28 o  417.866   6.0387  472.071   13.635  476.458   19.347  467.742   19.220  419.795   8.5287  415.936   8.5512 3.858429 12.07737 
1 1 1  -17    1   29 o  888.893   10.868  2139.80   52.198  2126.29   73.305  2153.68   74.345  886.057   15.310  891.729   15.429 -5.671936 21.73596 
1 1 1  -17    1   30 o  379.425   5.8294  388.814   11.939  380.117   16.435  398.531   17.372  374.942   8.1120  383.907   8.3740 -8.964813 11.65884 
1 1 1  -17    1   31 o  945.908   11.532  2425.04   58.938  2443.01   83.980  2407.60   82.735  949.349   16.370  942.467   16.246 6.882568 23.06315 
1 1 1  -17    1   32 o  329.300   8.2284  293.218   14.642  293.218   14.642   0.0000   0.0000  329.300   8.2284  ?   ?       ?      ? 
1 1 1  -17    1   33 o  162.370   7.6013   71.393   6.6492   72.075   9.0823   70.606   9.7612  163.216   10.298  161.524   11.184 1.692490 15.20251 
1 1 1  -17    1   34 o  337.892   6.2492  308.689   11.406  305.051   15.869  312.575   16.404  335.837   8.7447  339.946   8.9298 -4.108612 12.49842 
1 1 1  -17    1   35 o  527.327   7.2333  751.727   20.596  735.142   28.476  769.921   29.826  521.242   10.110  533.411   10.348 -12.16907 14.46657 
1 1 1  -17    1   36 o  533.666   7.2800  770.716   20.991  759.922   29.386  781.961   29.994  529.854   10.263  537.477   10.327 -7.622375 14.55993 
1 1 1  -17    1   37 o  441.447   6.5219  526.653   15.541  513.562   21.392  541.284   22.615  435.655   9.0871  447.239   9.3577 -11.58392 13.04383 
1 1 1  -17    1   38 o  789.826   9.8661  1690.95   42.079  1729.65   60.879  1655.54   58.228  798.436   14.110  781.216   13.793 17.22009 19.73216 
1 1 1  -17    1   39 o  279.111   5.7814  210.677   8.7154  219.989   12.509  201.893   12.150  285.103   8.1196  273.119   8.2323 11.98450 11.56280 
1 1 1  -17    1   40 o  185.345   9.1282  100.029   8.2398   76.216   14.269  111.941   10.092  167.380   15.777  203.310   9.1864 -35.93031 18.25633 
1 1 1  -17    1   43 o  139.034   7.8620   52.554   5.8805   59.044   8.4103   46.347   8.2254  147.477   10.554  130.592   11.656 16.88448 15.72396 
1 1 1  -17    1   44 o  223.650   5.9030  134.433   7.1017  123.027   9.5136  148.788   10.673  213.035   8.2643  234.264   8.4311 -21.22865 11.80599 
1 1 1  -17    1   45 o  196.210   6.3358  103.842   6.6958   94.460   9.0738  115.061   9.9215  186.536   9.0020  205.884   8.9180 -19.34793 12.67150 
1 1 1  -17    1   46 o  185.348   6.4152   93.342   6.4074   92.835   9.4046   93.781   8.7532  184.841   9.4157  185.856   8.7157 -1.014938 12.83040 
1 1 1  -17    1   47 o  181.453   6.4544   88.879   6.2925  103.436   9.2868   76.523   8.5558  195.134   8.8074  167.772   9.4374 27.36201 12.90872 
1 1 1  -17    1   48 o  394.421   6.1153  422.898   13.033  428.032   18.568  417.914   18.297  396.776   8.6601  392.065   8.6364 4.711121 12.23052 
1 1 1  -17    1   49 o  201.207   6.1304  110.009   6.6587  106.947   9.1715  113.422   9.6829  198.268   8.5605  204.146   8.7776 -5.878281 12.26089 
1 1 1  -17    1   50 o  199.912   6.0362  108.589   6.5055  119.416   9.4031   98.648   9.0100  209.493   8.3064  190.332   8.7604 19.16122 12.07233 
1 1 1  -17    1   51 o  233.259   5.9173  148.239   7.4584  147.600   10.525  148.884   10.571  232.753   8.3682  233.764   8.3683 -1.010681 11.83451 
1 1 1  -17    1   52 o   47.086   13.312   3.3632   5.1650   1.6996   7.3053   5.0260   7.3035   44.289   18.438   49.883   19.206 -5.594337 26.62323 
1 1 1  -17    1   53 o   81.903   11.935   19.901   5.2159   11.808   7.4587   27.646   7.2969   64.001   19.666   99.805   13.530 -35.80437 23.87079 
1 1 1  -17    1   54 o   89.543   11.365   23.090   5.3512   25.314   7.4592   20.732   7.6812   95.073   14.519   84.013   17.488 11.06048 22.73006 
1 1 1  -17    1   55 o   97.354   10.802   27.157   5.4627   21.608   7.5907   33.119   7.8677   85.817   16.970  108.891   13.371 -23.07378 21.60498 
1 1 1  -17    1   56 o  122.052   8.8459   41.553   5.8291   43.978   8.4071   39.307   8.0893  125.513   12.396  118.591   12.623 6.922112 17.69180 
1 1 1  -17    1   57 o  151.752   7.4159   63.819   6.0403   73.586   8.6793   54.644   8.4116  163.243   9.8393  140.261   11.098 22.98218 14.83183 
1 1 1  -17    1   58 o  169.738   6.8915   79.549   6.3096   73.239   8.7122   86.509   9.1501  162.605   9.9152  176.871   9.5737 -14.26535 13.78291 
1 1 1  -17    1   59 o  152.024   7.5181   64.418   6.1698   64.944   8.9429   63.941   8.5229  152.518   10.851  151.530   10.409 0.9875946 15.03621 
1 1 1  -17    1   60 o  182.855   6.9079   92.939   6.8230   94.418   9.5695   91.410   9.7307  184.421   9.6027  181.289   9.9331 3.131241 13.81588 
1 1 1  -17    1   61 o   43.864   12.995   1.4960   5.3795   5.5658   7.5644  -2.6684   7.6519   49.560   19.415   38.168   17.277 11.39211 25.98965 
1 1 1  -17    1   62 f  164.521   7.6363   76.141   6.7801   75.839   9.3491   76.475   9.8472  164.340   10.528  164.702   11.064 -0.3621826 15.27264 
1 1 1  -17    1   63 o   59.968   14.644   11.377   5.8874   8.3468   8.4650   14.216   8.1938   54.313   20.733   65.623   20.686 -11.30934 29.28778 
1 1 1  -17    1   64 o   94.986   14.075   29.017   6.9177   28.932   9.0782   29.134   10.683   96.100   18.147   93.872   21.520 2.228905 28.14999 
1 1 1  -17    1   65 o   35.945   12.022  -8.8233   6.2952  -2.0117   9.0975 -15.0815   8.7201   41.267   18.743   30.622   15.061 10.64503 24.04455 
1 1 1  -17    1   66 o   48.266   14.258   5.2998   6.3038   2.3142   8.9213   8.2767   8.9085   44.244   19.419   52.288   20.883 -8.043961 28.51685 
1 1 1  -17    2    1 o  345.266   4.8586  321.935   9.0569  330.871   13.143  313.854   12.498  349.821   6.9529  340.712   6.7884 9.108643 9.717261 
1 1 1  -17    2    2 o  583.237   7.3165  920.285   23.055  907.934   32.245  933.201   32.976  579.239   10.302  587.235   10.392 -7.996338 14.63296 
1 1 1  -17    2    3 f  357.718   4.9743  345.934   9.6136  348.625   13.744  343.357   13.452  359.078   7.0834  356.358   6.9857 2.719727 9.948580 
1 1 1  -17    2    4 o  523.577   6.6752  741.557   18.885  734.607   26.528  748.697   26.889  521.092   9.4212  526.062   9.4592 -4.970581 13.35047 
1 1 1  -17    2    5 o  223.605   3.9453  135.177   4.7661  132.562   6.7580  137.765   6.7228  221.452   5.6474  225.758   5.5108 -4.306396 7.890652 
1 1 1  -17    2    6 o  181.691   5.3353   89.229   5.2382   0.0000   0.0000   89.229   5.2382  ?   ?   181.691   5.3353      ?      ? 
1 1 1  -17    2    7 f  508.011   6.5209  697.942   17.897  706.329   25.639  689.973   24.992  510.982   9.2856  505.040   9.1579 5.942169 13.04182 
1 1 1  -17    2    8 o  442.867   5.8439  530.299   13.982  536.110   20.014  524.759   19.542  445.233   8.3189  440.500   8.2098 4.733032 11.68777 
1 1 1  -17    2    9 o  372.960   6.3146  376.414   12.037  376.791   14.796  375.676   20.700  373.303   7.3350  372.617   10.281 0.6852417 12.62922 
1 1 1  -17    2   10 o  447.518   8.3574  542.115   20.210  542.342   28.681  541.892   28.482  447.608   11.858  447.428   11.780 0.1804810 16.71486 
1 1 1  -17    2   11 o  341.645   9.8615  315.766   18.206   0.0000   0.0000  315.766   18.206  ?   ?   341.645   9.8615      ?      ? 
1 1 1  -17    2   12 o  380.679   10.597  392.117   21.799   0.0000   0.0000  392.117   21.799  ?   ?   380.679   10.597      ?      ? 
1 1 1  -17    2   13 o  617.275   10.938  1031.81   36.460  1010.36   50.494  1055.18   52.703  610.597   15.304  623.953   15.631 -13.35547 21.87547 
1 1 1  -17    2   14 o  566.533   7.1837  868.282   21.992  866.538   31.059  870.035   31.143  565.963   10.156  567.104   10.163 -1.140381 14.36741 
1 1 1  -17    2   15 f  695.875   8.6111  1310.05   32.370  1290.65   45.113  1330.65   46.475  690.575   12.089  701.176   12.266 -10.60046 17.22219 
1 1 1  -17    2   16 o  948.503   11.474  2437.65   58.808  2435.76   83.141  2439.53   83.195  948.136   16.228  948.870   16.226 -0.7336426 22.94793 
1 1 1  -17    2   17 o  1226.41   14.699  4081.67   97.407  4051.92  136.766  4112.31  138.765  1221.90   20.714  1230.93   20.862 -9.032471 29.39864 
1 1 1  -17    2   18 o  381.848   5.3746  394.173   11.089  395.017   15.745  393.342   15.622  382.253   7.6225  381.443   7.5790 0.8096924 10.74911 
1 1 1  -17    2   19 o  457.151   6.0966  565.004   15.059  568.666   21.466  561.455   21.132  458.608   8.6619  455.694   8.5817 2.914001 12.19325 
1 1 1  -17    2   20 o  394.927   5.5269  421.539   11.793  416.479   16.510  426.809   16.851  392.509   7.7843  397.345   7.8481 -4.836090 11.05387 
1 1 1  -17    2   21 o  1032.16   12.445  2885.63   69.409  2903.15   98.802  2868.55   97.528  1035.24   17.662  1029.07   17.539 6.169800 24.89060 
1 1 1  -17    2   22 o  1189.72   14.269  3836.42   91.734  3827.24  129.404  3845.69  130.062  1188.30   20.153  1191.15   20.207 -2.851318 28.53859 
1 1 1  -17    2   23 o  516.274   6.7653  720.659   18.874  719.649   26.669  721.672   26.714  515.912   9.5661  516.636   9.5689 -0.7242432 13.53053 
1 1 1  -17    2   24 f  595.430   7.6055  958.563   24.465  947.037   34.167  970.690   35.048  591.762   10.685  599.098   10.826 -7.336365 15.21095 
1 1 1  -17    2   25 f  736.609   9.1407  1468.11   36.383  1464.22   51.293  1472.04   51.615  735.631   12.904  737.587   12.950 -1.955688 18.28136 
1 1 1  -17    2   26 o  398.454   5.9313  429.135   12.766  426.035   17.794  432.422   18.326  396.974   8.2952  399.933   8.4802 -2.959076 11.86269 
1 1 1  -17    2   27 o  128.253   7.8143   44.992   5.3498   51.632   7.4388   37.879   7.6994  138.178   9.9627  118.328   12.042 19.84982 15.62863 
1 1 1  -17    2   28 o  510.217   6.8206  703.854   18.802  697.514   26.340  710.442   26.849  507.877   9.5976  512.558   9.6937 -4.680389 13.64116 
1 1 1  -17    2   29 o  130.355   7.8744   47.176   5.3998   56.216   7.3786   36.751   7.9234  144.177   9.4708  116.532   12.583 27.64484 15.74875 
1 1 1  -17    2   30 o  776.278   9.6249  1631.67   40.373  1636.54   57.278  1626.87   56.917  777.425   13.635  775.131   13.589 2.294189 19.24973 
1 1 1  -17    2   31 o  375.231   5.9101  380.707   11.983  384.502   17.031  376.986   16.863  377.082   8.3584  373.379   8.3580 3.703705 11.82029 
1 1 1  -17    2   32 o  885.093   10.868  2119.73   51.921  2064.92   71.459  2181.01   75.569  873.026   15.148  897.159   15.588 -24.13306 21.73537 
1 1 1  -17    2   33 o  685.185   8.7172  1269.90   32.253  1242.56   44.625  1299.80   46.669  677.486   12.190  692.884   12.465 -15.39789 17.43433 
1 1 1  -17    2   34 o  279.797   6.0633  211.869   9.1613  217.543   12.846  205.996   13.069  283.618   8.3818  275.976   8.7637 7.642212 12.12668 
1 1 1  -17    2   35 o  784.273   9.7968  1666.35   41.515  1679.24   59.159  1653.84   58.272  787.253   13.907  781.292   13.803 5.960754 19.59351 
1 1 1  -17    2   36 o  574.209   7.6333  892.004   23.672  873.254   32.822  912.329   34.173  567.937   10.695  580.482   10.894 -12.54529 15.26661 
1 1 1  -17    2   37 o  309.341   5.8897  258.613   9.8397  251.024   13.645  266.835   14.202  304.619   8.2897  314.062   8.3687 -9.443115 11.77939 
1 1 1  -17    2   38 o  339.606   5.9521  312.121   10.922  317.392   15.439  306.840   15.452  342.482   8.3422  336.731   8.4923 5.750763 11.90428 
1 1 1  -17    2   39 o  482.945   6.7896  631.654   17.718  627.695   24.954  635.681   25.162  481.420   9.5925  484.471   9.6114 -3.050629 13.57922 
1 1 1  -17    2   40 o  775.854   13.788  1643.63   57.805  1652.25   82.054  1635.14   81.446  777.864   19.521  773.843   19.477 4.021423 27.57626 
1 1 1  -17    2   43 o  241.608   5.8304  158.160   7.6110  156.755   10.662  159.621   10.868  240.517   8.2037  242.699   8.2869 -2.181686 11.66077 
1 1 1  -17    2   44 o  334.107   5.7010  302.605   10.291  300.229   14.650  304.920   14.459  332.800   8.1465  335.413   7.9776 -2.612762 11.40209 
1 1 1  -17    2   45 o  237.443   5.7773  152.895   7.4116  156.099   10.582  149.809   10.384  239.885   8.1632  235.000   8.1775 4.884613 11.55466 
1 1 1  -17    2   46 o  302.246   5.5710  247.801   9.0987  248.426   12.864  247.176   12.871  302.629   7.8663  301.863   7.8908 0.7662354 11.14198 
1 1 1  -17    2   47 o  638.687   8.2769  1112.91   28.565  1109.94   40.341  1115.89   40.454  637.834   11.704  639.540   11.706 -1.705566 16.55371 
1 1 1  -17    2   48 o  157.662   7.2434   68.436   6.0722   54.421   8.5741   82.538   8.6008  141.162   11.240  174.162   9.1390 -32.99930 14.48676 
1 1 1  -17    2   49 o  263.759   5.6626  188.623   8.0501  195.688   11.896  182.654   10.934  268.263   8.2062  259.254   7.8050 9.008698 11.32512 
1 1 1  -17    2   50 o  143.666   7.5422   56.426   5.8459   52.331   8.1953   60.669   8.3415  138.311   10.965  149.021   10.359 -10.71001 15.08443 
1 1 1  -17    2   51 o  118.969   8.7600   39.542   5.4745   50.495   7.7936   28.874   7.6916  135.771   10.623  102.167   13.932 33.60397 17.51993 
1 1 1  -17    2   52 o  166.743   6.8109   76.084   6.1336   79.305   8.7139   72.922   8.6351  170.276   9.4705  163.210   9.7911 7.065308 13.62190 
1 1 1  -17    2   53 o  151.598   7.0639   63.180   5.7718   59.622   8.2957   66.518   8.0356  147.353   10.418  155.843   9.5421 -8.489929 14.12787 
1 1 1  -17    2   54 o  130.474   8.0935   47.362   5.6427   39.367   7.9708   55.395   7.9892  119.110   12.384  141.838   10.424 -22.72742 16.18709 
1 1 1  -17    2   55 o  231.799   5.8637  146.578   7.3301  159.761   10.698  134.911   10.064  241.626   8.1933  221.972   8.3904 19.65413 11.72731 
1 1 1  -17    2   56 o  167.243   6.9339   77.149   6.2639   76.850   8.7306   77.465   8.9922  166.955   9.6774  167.531   9.9330 -0.5766296 13.86782 
1 1 1  -17    2   57 o   52.394   13.761   6.4311   5.2280   9.1814   7.8185   4.2070   7.0310   57.714   20.258   47.074   18.631 10.63987 27.52238 
1 1 1  -17    2   58 o   61.523   14.062   11.040   5.3508   13.576   7.9438   8.9338   7.2396   66.713   20.256   56.333   19.509 10.37972 28.12316 
1 1 1  -17    2   59 f  255.562   5.9776  179.898   8.2496  175.478   11.421  184.721   11.929  252.330   8.3759  258.795   8.5305 -6.465439 11.95513 
1 1 1  -17    2   60 o   91.598   11.707   25.085   5.5809   25.036   7.9197   25.134   7.8658   91.465   16.637   91.732   16.474 -0.2672348 23.41301 
1 1 1  -17    2   61 o   74.123   13.849   17.295   5.6187   17.990   8.2655   16.698   7.6611   75.335   19.978   72.911   19.185 2.423096 27.69836 
1 1 1  -17    2   62 o  122.708   10.046   44.250   6.4200   57.678   9.1579   31.275   9.0026  142.547   11.889  102.869   16.196 39.67802 20.09104 
1 1 1  -17    2   63 o  149.186   8.1373   63.700   6.5526   67.602   9.3393   59.916   9.1959  153.884   11.231  144.487   11.778 9.396957 16.27470 
1 1 1  -17    2   64 o   40.651   18.695  -3.9065   9.4306   0.0000   0.0000  -3.9065   9.4306  ?   ?    40.651   18.695      ?      ? 
1 1 1  -17    2   65 o  110.492   11.844   38.051   6.8037   31.914   9.6637   44.083   9.5806   99.505   18.658  121.480   14.595 -21.97506 23.68825 
1 1 1  -17    2   66 o  180.920   7.6697   94.435   7.4726  100.336   11.139   89.607   10.076  185.746   11.098  176.094   10.589 9.651642 15.33940 
1 1 1  -17    2   67 o   71.323   27.056   22.477   14.358   22.477   14.358   0.0000   0.0000   71.323   27.056  ?   ?       ?      ? 
1 1 1  -17    3    1 o  357.784   5.0054  345.985   9.6755  338.758   13.532  353.545   13.840  353.963   7.0747  361.605   7.0828 -7.642517 10.01089 
1 1 1  -17    3    2 o  443.104   5.8530  531.016   14.014  529.823   19.862  532.198   19.776  442.607   8.3046  443.601   8.2500 -0.9940186 11.70592 
1 1 1  -17    3    3 o  147.314   3.8670   58.639   3.0749   59.074   4.4613   58.245   4.2441  147.833   5.5847  146.795   5.3503 1.037613 7.734001 
1 1 1  -17    3    4 o  102.938   4.4645   28.493   2.4747   30.443   3.6927   26.903   3.3341  106.117   6.4399   99.759   6.1849 6.357361 8.928902 
1 1 1  -17    3    5 o  239.692   4.0945  155.242   5.3012  149.238   7.4253  161.483   7.5708  234.966   5.8482  244.418   5.7322 -9.451874 8.188960 
1 1 1  -17    3    6 o  448.737   5.9223  543.494   14.343  523.477   19.689  566.123   20.935  439.957   8.2820  457.517   8.4677 -17.55994 11.84461 
1 1 1  -17    3    7 o  457.247   5.9999  565.424   14.824  567.568   21.097  563.333   20.833  458.101   8.5227  456.393   8.4474 1.707977 11.99977 
1 1 1  -17    3    8 o  602.965   9.2385  988.807   28.590  998.295   35.378  970.946   48.539  607.375   10.779  598.555   15.007 8.820740 18.47708 
1 1 1  -17    3    9 o  251.107   5.9880  170.133   8.1129  177.523   11.878  163.671   11.108  256.203   8.5797  246.011   8.3556 10.19196 11.97608 
1 1 1  -17    3   10 o  506.502   9.2542  694.691   25.328  696.396   35.992  693.018   35.647  507.114   13.134  505.891   13.040 1.223358 18.50842 
1 1 1  -17    3   11 o  337.234   9.7956  307.658   17.851   0.0000   0.0000  307.658   17.851  ?   ?   337.234   9.7956      ?      ? 
1 1 1  -17    3   12 o  226.746   5.8527  138.881   7.1640  142.320   10.411  135.788   9.8732  229.406   8.3984  224.086   8.1537 5.320068 11.70543 
1 1 1  -17    3   13 o  209.495   5.8045  118.636   6.5685  117.230   9.1456  120.135   9.4398  208.214   8.1286  210.775   8.2881 -2.560928 11.60891 
1 1 1  -17    3   14 o  370.723   5.2259  371.530   10.468  366.817   14.723  376.348   14.887  368.346   7.3969  373.101   7.3841 -4.755371 10.45174 
1 1 1  -17    3   15 o  449.629   6.0075  546.640   14.596  542.459   20.588  550.864   20.696  447.901   8.5065  451.358   8.4854 -3.457306 12.01510 
1 1 1  -17    3   16 o  800.454   9.7928  1734.40   42.353  1719.05   59.403  1750.28   60.403  796.856   13.795  804.051   13.902 -7.194763 19.58550 
1 1 1  -17    3   17 o  385.978   5.4150  402.739   11.294  399.116   15.909  406.419   16.035  384.228   7.6626  387.728   7.6535 -3.499542 10.83008 
1 1 1  -17    3   18 o  135.662   4.8557   49.706   3.5571   50.851   5.1470   48.659   4.9216  137.156   6.9447  134.169   6.7884 2.987350 9.711399 
1 1 1  -17    3   19 o  122.571   5.3484   40.632   3.5408   39.504   5.0322   41.738   4.9829  120.885   7.7037  124.258   7.4212 -3.373276 10.69675 
1 1 1  -17    3   20 o  416.711   5.7538  469.436   12.956  468.547   18.309  470.329   18.336  416.316   8.1389  417.107   8.1354 -0.7911682 11.50767 
1 1 1  -17    3   21 o  1069.41   12.881  3098.11   74.432  3109.54  105.676  3086.86  104.853  1071.36   18.254  1067.46   18.178 3.903931 25.76117 
1 1 1  -17    3   22 o  820.502   10.045  1821.71   44.534  1830.63   63.280  1812.95   62.686  822.490   14.238  818.514   14.173 3.975952 20.08940 
1 1 1  -17    3   23 o  660.454   8.2859  1179.82   29.571  1183.43   41.922  1176.24   41.718  661.460   11.729  659.448   11.707 2.011963 16.57182 
1 1 1  -17    3   24 o  188.955   5.1626   96.287   5.2483   94.233   7.0660   98.814   7.8384  186.716   7.0033  191.194   7.5869 -4.477798 10.32511 
1 1 1  -17    3   25 o  593.787   7.6184  953.315   24.439  941.737   34.119  965.513   35.022  590.090   10.700  597.485   10.847 -7.394470 15.23685 
1 1 1  -17    3   26 o  892.637   10.895  2157.18   52.548  2144.13   73.840  2170.57   74.797  889.908   15.355  895.366   15.459 -5.457581 21.78943 
1 1 1  -17    3   27 o  799.996   9.8595  1732.18   42.622  1734.52   60.328  1729.85   60.225  800.536   13.946  799.457   13.941 1.078552 19.71908 
1 1 1  -17    3   28 o  359.137   5.6183  348.608   10.901  344.042   15.252  353.378   15.587  356.734   7.9122  361.540   7.9787 -4.806396 11.23664 
1 1 1  -17    3   29 f  261.671   5.3642  185.121   7.5845  186.041   10.697  184.192   10.755  262.326   7.5466  261.017   7.6253 1.308380 10.72832 
1 1 1  -17    3   30 o  534.298   7.1002  771.726   20.489  756.926   28.434  787.712   29.551  528.979   9.9473  539.617   10.134 -10.63831 14.20044 
1 1 1  -17    3   31 o  788.761   9.8335  1664.96   41.513  1550.44   54.388  1824.80   64.255  756.727   13.301  820.795   14.487 -64.06842 19.66694 
1 1 1  -17    3   32 o  1098.67   13.303  3273.02   78.933  3210.16  109.409  3341.25  113.988  1087.72   18.614  1109.61   19.011 -21.88782 26.60645 
1 1 1  -17    3   33 o  860.648   10.609  2007.16   49.334  1990.71   69.178  2024.18   70.376  857.073   14.937  864.223   15.070 -7.150330 21.21830 
1 1 1  -17    3   34 o  687.783   8.7879  1280.38   32.650  1265.95   45.489  1295.71   46.891  683.801   12.311  691.765   12.544 -7.963745 17.57583 
1 1 1  -17    3   35 o  314.169   5.9392  266.285   10.064  256.341   13.736  277.810   14.788  307.859   8.2571  320.479   8.5392 -12.62057 11.87849 
1 1 1  -17    3   36 o  567.239   7.5519  871.040   23.145  865.589   32.419  876.706   33.053  565.437   10.610  569.041   10.749 -3.604126 15.10378 
1 1 1  -17    3   37 f  518.410   7.1139  727.313   19.926  738.699   28.454  716.356   27.913  522.388   10.080  514.432   10.041 7.957092 14.22779 
1 1 1  -17    3   38 o  665.346   8.5211  1200.00   30.634  1209.24   43.629  1191.02   43.023  667.864   12.089  662.827   12.012 5.036926 17.04221 
1 1 1  -17    3   39 o  110.470   10.840   34.532   6.0863   25.128   8.7497   43.348   8.4716   94.532   17.781  126.408   12.402 -31.87584 21.67950 
1 1 1  -17    3   40 o  318.924   11.775  275.901   20.293  275.901   20.293   0.0000   0.0000  318.924   11.775  ?   ?       ?      ? 
1 1 1  -17    3   42 f  157.240   15.722   67.455   13.359   67.455   13.359   0.0000   0.0000  157.240   15.722  ?   ?       ?      ? 
1 1 1  -17    3   43 o  236.159   5.8211  151.209   7.4108  137.987   10.393  164.887   10.571  225.625   8.5241  246.692   7.9296 -21.06700 11.64212 
1 1 1  -17    3   44 f  158.310   6.8709   68.464   5.8389   73.287   8.0071   62.986   8.5328  164.355   9.0158  152.264   10.371 12.09061 13.74177 
1 1 1  -17    3   45 o  232.334   5.7339  146.459   7.1971  149.775   10.172  143.135   10.185  234.979   8.0108  229.689   8.2059 5.289780 11.46780 
1 1 1  -17    3   46 o  297.109   5.6789  239.443   9.1152  232.347   12.800  246.745   12.983  292.634   8.0948  301.585   7.9670 -8.950745 11.35775 
1 1 1  -17    3   47 o  391.078   6.0139  415.148   12.702  423.436   18.336  407.502   17.612  394.806   8.5949  387.350   8.4142 7.455902 12.02790 
1 1 1  -17    3   48 o  211.920   5.8967  122.119   6.7506  119.595   9.5922  124.595   9.5019  209.731   8.4639  214.109   8.2127 -4.378815 11.79346 
1 1 1  -17    3   49 o  133.904   7.7881   48.997   5.6333   50.850   8.0396   47.209   7.8956  136.406   10.907  131.402   11.120 5.003708 15.57618 
1 1 1  -17    3   50 o  419.492   6.2409  479.378   14.147  476.202   19.987  482.567   20.026  418.091   8.8469  420.892   8.8049 -2.801392 12.48173 
1 1 1  -17    3   51 o  188.878   6.2785   97.284   6.4035  102.602   9.1737   92.231   8.9424  193.935   8.7539  183.821   9.0027 10.11394 12.55706 
1 1 1  -17    3   52 o  253.703   5.6980  175.186   7.8049  183.280   11.319  167.850   10.776  259.274   8.0793  248.132   8.0370 11.14191 11.39603 
1 1 1  -17    3   53 o  222.821   5.7701  135.324   6.9349  138.608   10.164  132.463   9.4858  225.294   8.3490  220.348   7.9667 4.945694 11.54013 
1 1 1  -17    3   54 o   47.628   13.306   4.0163   5.1146   2.1517   7.4039   5.7182   7.0737   44.895   18.615   50.361   19.018 -5.466541 26.61184 
1 1 1  -17    3   55 o  231.369   5.9252  146.618   7.4067  145.596   10.547  147.613   10.404  230.541   8.4659  232.197   8.2922 -1.656204 11.85036 
1 1 1  -17    3   56 o  108.116   9.7329   32.909   5.6810   34.661   8.0710   31.188   7.9978  111.068   13.448  105.164   14.074 5.903755 19.46589 
1 1 1  -17    3   57 o  101.840   10.654   29.865   5.6734   25.073   7.9096   34.943   8.1424   92.312   16.460  111.368   13.530 -19.05570 21.30722 
1 1 1  -17    3   58 o  111.527   9.6770   35.418   5.8011   38.380   8.0721   32.255   8.3426  116.698   12.801  106.355   14.516 10.34293 19.35402 
1 1 1  -17    3   59 o   87.024   12.099   22.358   5.5672   27.369   8.2249   18.122   7.5631   97.241   15.653   76.806   18.453 20.43561 24.19771 
1 1 1  -17    3   60 o  117.216   9.3278   39.204   5.8787   36.556   8.5368   41.592   8.1074  113.086   13.970  121.347   12.364 -8.260666 18.65569 
1 1 1  -17    3   61 o   38.261   12.348  -3.9605   5.7281  -6.9847   7.9666  -0.7237   8.2418   34.754   16.377   41.769   18.484 -7.014927 24.69546 
1 1 1  -17    3   62 o   51.318   13.955   4.7427   6.0004  -2.4894   8.4066   12.254   8.5672   40.014   18.111   62.623   21.236 -22.60866 27.91074 
1 1 1  -17    3   63 f   71.957   14.121   17.113   5.9707   10.938   8.4636   23.230   8.4243   58.950   21.038   84.964   18.843 -26.01456 28.24215 
1 1 1  -17    3   64 o  120.157   11.791   46.356   6.5654   21.439   9.2041   72.168   9.3678   80.674   20.933  159.639   10.860 -78.96461 23.58229 
1 1 1  -17    3   65 o   72.431   15.278   18.511   6.4361   18.011   9.2283   18.985   8.9807   71.279   21.870   73.582   21.340 -2.302513 30.55684 
1 1 1  -17    3   66 o   51.049   15.969   3.9034   8.6741   6.1374   12.750   1.9784   11.835   53.563   23.369   48.535   21.770 5.027584 31.93804 
1 1 1  -17    3   67 o   45.177   21.639  -6.7860   15.085  -6.7860   15.085   0.0000   0.0000   45.177   21.639  ?   ?       ?      ? 
1 1 1  -17    4    1 o  199.218   5.5325  107.275   5.9558   0.0000   0.0000  107.275   5.9558  ?   ?   199.218   5.5325      ?      ? 
1 1 1  -17    4    2 o  239.912   5.7641  155.583   7.4726   0.0000   0.0000  155.583   7.4726  ?   ?   239.912   5.7641      ?      ? 
1 1 1  -17    4    3 o  654.625   8.1320  1159.95   28.766  1158.34   40.703  1161.55   40.659  654.171   11.515  655.079   11.486 -0.9081421 16.26405 
1 1 1  -17    4    4 o   71.575   5.9405   13.672   2.2820   15.949   3.4537   11.908   3.0402   76.795   8.3226   66.355   8.4789 10.43968 11.88097 
1 1 1  -17    4    5 o  530.997   6.7869  762.711   19.473  756.630   27.399  768.917   27.681  528.860   9.5876  533.135   9.6086 -4.275024 13.57379 
1 1 1  -17    4    6 o  520.142   6.6833  731.777   18.783  724.477   26.386  739.278   26.745  517.513   9.4355  522.771   9.4676 -5.257446 13.36654 
1 1 1  -17    4    7 o  271.640   5.3057  198.669   7.4115  196.795   9.1470  202.252   12.646  269.813   6.2737  273.467   8.5581 -3.653778 10.61132 
1 1 1  -17    4    8 o  351.108   7.0536  333.190   13.372  341.441   19.369  325.676   18.485  355.252   10.090  346.964   9.8591 8.288116 14.10714 
1 1 1  -17    4    9 o  354.949   7.1379  340.057   13.669  354.504   20.035  327.477   18.696  361.978   10.243  347.920   9.9442 14.05820 14.27590 
1 1 1  -17    4   10 o  178.558   5.1227   88.855   4.6177   78.423   7.8639   94.345   5.7048  170.289   8.5460  186.827   5.6509 -16.53789 10.24533 
1 1 1  -17    4   11 o  681.955   11.982  1260.41   44.134  1283.78   63.634  1238.74   61.263  688.019   17.116  675.891   16.774 12.12805 23.96485 
1 1 1  -17    4   12 o  942.881   16.191  2416.66   82.467  2380.63  114.890  2454.96  118.442  935.680   22.723  950.081   23.071 -14.40057 32.38188 
1 1 1  -17    4   13 o  761.653   11.541  1553.71   44.094  1523.30   53.002  1622.07   79.469  750.116   13.076  773.190   19.021 -23.07373 23.08170 
1 1 1  -17    4   14 o  645.182   8.0652  1126.28   28.118  1126.04   39.822  1126.51   39.707  645.113   11.424  645.250   11.388 -0.1369019 16.13041 
1 1 1  -17    4   15 o  679.173   8.4407  1248.16   30.977  1249.09   43.911  1247.24   43.706  679.422   11.960  678.924   11.913 0.4982300 16.88132 
1 1 1  -17    4   16 o  314.960   4.8303  268.156   8.2204  264.731   11.616  271.592   11.635  312.945   6.8691  316.976   6.7928 -4.031219 9.660563 
1 1 1  -17    4   17 o  389.422   5.4601  409.983   11.489  408.312   16.266  411.647   16.231  388.630   7.7458  390.215   7.6975 -1.585327 10.92012 
1 1 1  -17    4   18 o  878.831   10.693  2091.28   50.782  2086.23   71.697  2096.36   71.936  877.768   15.116  879.894   15.130 -2.126343 21.38683 
1 1 1  -17    4   19 o  761.341   9.3738  1568.49   38.564  1561.39   54.354  1575.68   54.722  759.608   13.242  763.073   13.271 -3.465149 18.74763 
1 1 1  -17    4   20 o  1153.85   13.864  3607.92   86.433  3570.62  121.023  3646.76  123.485  1147.78   19.513  1159.92   19.701 -12.13892 27.72889 
1 1 1  -17    4   21 o  867.125   10.575  2035.06   49.549  2031.05   69.993  2039.09   70.152  866.269   14.953  867.981   14.957 -1.711426 21.14927 
1 1 1  -17    4   22 o  559.445   7.2146  846.306   21.810  846.149   30.908  846.462   30.780  559.392   10.225  559.498   10.181 -0.1055908 14.42919 
1 1 1  -17    4   23 o  1037.32   12.520  2914.55   70.175  2892.74   98.468  2937.05  100.035  1033.39   17.634  1041.25   17.779 -7.861816 25.04082 
1 1 1  -17    4   24 o  549.729   7.1675  816.544   21.278  798.819   29.470  835.847   30.754  543.507   10.034  555.951   10.237 -12.44427 14.33490 
1 1 1  -17    4   25 o  1081.24   13.041  3166.95   76.170  3122.79  106.190  3213.75  109.318  1073.50   18.306  1088.98   18.577 -15.47473 26.08117 
1 1 1  -17    4   26 o  663.805   8.3885  1192.00   30.089  1190.00   42.429  1194.03   42.677  663.246   11.839  664.364   11.888 -1.117859 16.77705 
1 1 1  -17    4   27 o  900.123   10.986  2193.98   53.435  2189.42   75.429  2198.57   75.708  899.186   15.524  901.060   15.549 -1.873901 21.97173 
1 1 1  -17    4   28 o  1690.02   20.197  7781.20  184.447  7801.49  261.620  7761.15  260.080  1692.19   28.611  1687.86   28.516 4.334351 40.39476 
1 1 1  -17    4   29 o  594.281   7.6948  953.919   24.681  924.911   33.909  986.599   35.991  584.701   10.732  603.862   11.030 -19.16156 15.38966 
1 1 1  -17    4   30 o  960.538   11.699  2499.33   60.689  2450.06   84.160  2552.70   87.596  950.714   16.382  970.361   16.706 -19.64606 23.39774 
1 1 1  -17    4   31 o  767.544   9.5636  1594.62   39.655  1572.11   55.327  1618.39   56.867  761.988   13.437  773.100   13.612 -11.11176 19.12716 
1 1 1  -17    4   32 o  284.689   5.8070  219.083   8.9279  216.909   12.386  221.435   12.880  283.222   8.0931  286.155   8.3298 -2.932373 11.61400 
1 1 1  -17    4   33 o  359.873   6.0733  350.358   11.807  356.406   16.610  344.179   16.787  363.019   8.4675  356.728   8.7086 6.291504 12.14652 
1 1 1  -17    4   34 o  388.043   6.2441  407.305   13.092  410.424   18.453  404.144   18.577  389.542   8.7666  386.544   8.8940 2.998199 12.48826 
1 1 1  -17    4   35 o  542.261   7.3207  795.777   21.449  788.419   30.062  803.407   30.612  539.713   10.308  544.810   10.398 -5.097290 14.64132 
1 1 1  -17    4   36 o  124.344   9.4242   41.640   6.3059   36.801   8.5719   47.347   9.3096  116.512   13.615  132.176   13.034 -15.66386 18.84843 
1 1 1  -17    4   37 o  274.360   5.8909  203.681   8.7321  205.498   12.275  201.819   12.425  275.603   8.2422  273.116   8.4188 2.486237 11.78177 
1 1 1  -17    4   38 o  565.260   7.5086  865.627   22.933  859.388   32.194  872.054   32.675  563.198   10.579  567.321   10.659 -4.122986 15.01711 
1 1 1  -17    4   39 o  340.722   5.8700  314.219   10.807  310.759   15.209  317.747   15.359  338.827   8.3067  342.617   8.2961 -3.789337 11.73999 
1 1 1  -17    4   42 f  571.764   10.808  891.767   33.391  893.018   47.449  890.541   46.997  572.138   15.348  571.389   15.221 0.7490845 21.61560 
1 1 1  -17    4   43 o  121.259   8.6062   39.999   5.6249   43.849   8.0497   36.325   7.8633  126.991   11.731  115.527   12.596 11.46313 17.21241 
1 1 1  -17    4   44 f  136.387   7.7809   50.734   5.7095   56.108   8.0705   45.349   8.0785  143.687   10.394  129.088   11.581 14.59943 15.56176 
1 1 1  -17    4   45 o  258.001   5.6232  180.707   7.8335  175.216   11.178  186.006   10.981  254.122   8.1404  261.880   7.7598 -7.758179 11.24633 
1 1 1  -17    4   46 o  277.175   5.5564  208.331   8.3198  211.809   11.939  205.049   11.600  279.416   7.9074  274.935   7.8081 4.480835 11.11274 
1 1 1  -17    4   47 o  229.185   5.8922  142.676   7.2970  143.816   10.349  141.548   10.290  230.098   8.3237  228.273   8.3420 1.824524 11.78439 
1 1 1  -17    4   48 o  207.059   5.9582  116.417   6.6601  123.766   9.6079  109.620   9.2405  213.354   8.3337  200.764   8.5177 12.59053 11.91641 
1 1 1  -17    4   49 o  266.020   5.6160  192.190   8.0580  176.443   11.211  209.021   11.590  254.715   8.1450  277.324   7.7342 -22.60866 11.23210 
1 1 1  -17    4   50 o  246.337   5.6714  165.115   7.5492  164.296   10.679  165.934   10.673  245.721   8.0427  246.953   7.9984 -1.231812 11.34279 
1 1 1  -17    4   51 o  267.992   5.6241  195.601   8.1430  198.344   11.647  192.978   11.389  269.820   7.9882  266.164   7.9189 3.656067 11.24811 
1 1 1  -17    4   52 o  283.070   5.5936  218.276   8.5471  221.493   12.411  215.374   11.787  285.005   8.0590  281.135   7.7592 3.870422 11.18717 
1 1 1  -17    4   53 o  221.035   5.8528  133.731   6.9746  127.126   10.035  139.902   9.7003  215.646   8.6120  226.424   7.9282 -10.77841 11.70567 
1 1 1  -17    4   54 f  165.941   6.7093   75.857   5.9974   70.956   8.6237   80.447   8.3462  160.605   9.9369  171.278   9.0177 -10.67308 13.41867 
1 1 1  -17    4   55 o   98.251   10.175   27.185   5.3959   28.500   7.6079   25.853   7.6542  100.756   13.973   95.746   14.794 5.010109 20.35004 
1 1 1  -17    4   56 o  146.818   7.4952   59.648   5.9433   62.359   8.5301   57.091   8.2854  150.085   10.518  143.551   10.681 6.534012 14.99046 
1 1 1  -17    4   57 o  103.674   10.333   31.472   5.5019   25.288   8.0520   36.888   7.5354   92.521   16.721  114.827   12.144 -22.30576 20.66570 
1 1 1  -17    4   58 o  111.252   9.4786   34.854   5.6786   39.076   8.3614   31.239   7.7365  117.562   13.162  104.942   13.643 12.62053 18.95710 
1 1 1  -17    4   59 o  139.866   8.2012   55.756   6.0924   46.009   8.8303   64.612   8.4165  127.429   12.824  152.302   10.227 -24.87234 16.40236 
1 1 1  -17    4   60 o   96.459   12.133   28.488   6.0068   20.019   8.6359   36.425   8.3606   79.945   20.032  112.973   13.695 -33.02863 24.26569 
1 1 1  -17    4   61 o  123.615   9.9205   44.489   6.5061   35.269   9.1792   53.797   9.2230  109.766   15.476  137.464   12.416 -27.69858 19.84100 
1 1 1  -17    4   62 o  149.471   8.4838   63.662   6.8438   59.517   9.5653   68.009   9.7958  144.312   12.266  154.630   11.724 -10.31773 16.96764 
1 1 1  -17    4   63 o   94.066   13.001   28.117   6.4333   34.295   9.0702   21.862   9.1262  107.007   15.686   81.125   20.739 25.88197 26.00287 
1 1 1  -17    4   64 o  131.731   9.6296   50.458   6.8488   48.660   9.7413   52.215   9.6310  129.177   13.955  134.285   13.273 -5.107635 19.25916 
1 1 1  -17    4   65 o  131.306   9.5635   52.048   6.7402   49.244   9.9078   54.464   9.1961  127.080   14.428  135.532   12.557 -8.452309 19.12697 
1 1 1  -17    4   66 o  117.039   14.617   45.349   8.9315   57.635   13.678   36.216   11.793  132.808   19.060  101.270   22.165 31.53820 29.23302 
1 1 1  -17    4   67 o   66.290   27.143   20.059   15.483   20.059   15.483   0.0000   0.0000   66.290   27.143  ?   ?       ?      ? 
1 1 1  -17    5    1 o  428.627   5.7589  496.785   13.338  490.987   18.778  502.689   18.949  426.103   8.1553  431.152   8.1333 -5.048920 11.51782 
1 1 1  -17    5    2 o  314.086   4.7265  266.674   8.0207  260.258   11.292  273.207   11.395  310.272   6.7351  317.899   6.6332 -7.627716 9.453081 
1 1 1  -17    5    3 o  717.110   8.8490  1390.92   34.265  1357.87   47.384  1427.15   49.610  708.205   12.382  726.015   12.645 -17.81024 17.69790 
1 1 1  -17    5    4 o  123.549   4.5368   41.455   3.0138   38.716   4.3915   43.894   4.1435  119.670   6.7911  127.429   6.0175 -7.758926 9.073576 
1 1 1  -17    5    5 o  389.443   6.5608  408.814   13.063  405.868   16.029  414.640   22.541  387.432   7.6565  391.455   10.656 -4.022400 13.12154 
1 1 1  -17    5    6 o  357.589   7.1306  345.949   13.778  344.369   19.504  347.522   19.467  356.772   10.117  358.405   10.052 -1.632721 14.26125 
1 1 1  -17    5    7 o  790.204   13.692  1695.38   58.464  1695.72   82.818  1695.05   82.545  790.277   19.393  790.132   19.333 0.1454468 27.38386 
1 1 1  -17    5    8 o  323.703   6.7752  283.441   11.850  283.784   16.881  283.108   16.639  323.893   9.6449  323.512   9.5178 0.3806763 13.55038 
1 1 1  -17    5    9 o   86.180   6.7834   19.054   2.9652   23.086   5.3888   17.304   3.5512   92.367   10.797   79.993   8.2155 12.37376 13.56690 
1 1 1  -17    5   10 o  402.662   6.8192  438.128   13.900  439.865   24.399  437.293   16.914  403.170   11.199  402.154   7.7833 1.016632 13.63832 
1 1 1  -17    5   11 o  796.426   13.826  1720.37   59.471  1684.91   82.475  1758.78   85.834  787.916   19.371  804.935   19.734 -17.01923 27.65255 
1 1 1  -17    5   12 o  463.710   8.7022  581.930   21.805  575.901   30.707  588.063   30.968  461.286   12.319  466.133   12.295 -4.846954 17.40440 
1 1 1  -17    5   13 o  303.133   4.7354  248.403   7.7558  247.559   11.041  249.225   10.897  302.624   6.7519  303.643   6.6412 -1.018921 9.470699 
1 1 1  -17    5   14 o  656.112   8.1924  1164.72   29.045  1160.52   41.011  1168.94   41.142  654.926   11.588  657.297   11.583 -2.371338 16.38487 
1 1 1  -17    5   15 o  415.503   5.7072  466.762   12.813  466.967   18.238  466.563   18.005  415.592   8.1211  415.415   8.0210 0.1766663 11.41445 
1 1 1  -17    5   16 o  908.905   11.038  2237.19   54.207  2218.02   76.052  2256.98   77.282  904.956   15.552  912.854   15.667 -7.897949 22.07571 
1 1 1  -17    5   17 o  1012.75   12.236  2779.02   66.963  2767.31   94.358  2790.90   95.045  1010.61   17.279  1014.90   17.331 -4.288696 24.47256 
1 1 1  -17    5   18 o  746.970   9.2152  1508.28   37.169  1472.16   51.386  1547.92   53.828  737.611   12.892  756.328   13.171 -18.71747 18.43033 
1 1 1  -17    5   19 o  695.827   8.6563  1309.34   32.537  1326.77   46.716  1292.93   45.344  700.315   12.345  691.340   12.138 8.974609 17.31251 
1 1 1  -17    5   20 o  356.086   5.2847  342.623   10.167  335.236   14.235  350.315   14.526  352.169   7.4803  360.002   7.4670 -7.833466 10.56935 
1 1 1  -17    5   21 o  977.687   11.839  2587.61   62.534  2557.32   87.423  2619.34   89.485  971.842   16.647  983.531   16.837 -11.68896 23.67760 
1 1 1  -17    5   22 o  1129.96   13.588  3459.38   82.953  3420.65  115.982  3499.94  118.691  1123.50   19.104  1136.41   19.328 -12.90674 27.17638 
1 1 1  -17    5   23 o  952.105   11.557  2450.77   59.380  2379.43   81.494  2531.51   86.700  937.394   16.088  966.817   16.595 -29.42297 23.11374 
1 1 1  -17    5   24 o  321.643   5.2191  277.096   9.0109  258.830   11.939  301.273   13.736  309.443   7.1401  333.842   7.6141 -24.39871 10.43815 
1 1 1  -17    5   25 o  727.994   9.0612  1433.90   35.643  1441.19   50.729  1426.79   50.091  729.817   12.863  726.170   12.765 3.646851 18.12237 
1 1 1  -17    5   26 o  1182.03   14.211  3788.81   90.769  3788.28  128.383  3789.35  128.351  1181.95   20.101  1182.11   20.093 -0.1677246 28.42185 
1 1 1  -17    5   27 o  1144.39   13.786  3550.92   85.240  3514.57  119.305  3588.82  121.830  1138.43   19.394  1150.35   19.599 -11.91748 27.57257 
1 1 1  -17    5   28 o  1025.01   12.434  2847.30   68.848  2809.71   96.032  2887.05   98.758  1018.07   17.456  1031.94   17.710 -13.86639 24.86710 
1 1 1  -17    5   29 o  1013.61   12.302  2785.08   67.365  2747.32   93.962  2825.02   96.631  1006.57   17.275  1020.66   17.521 -14.08405 24.60482 
1 1 1  -17    5   30 o  690.081   8.7251  1288.17   32.521  1263.37   45.163  1314.87   46.866  683.200   12.233  696.963   12.444 -13.76294 17.45024 
1 1 1  -17    5   31 o  325.820   8.3049  287.063   14.622   0.0000   0.0000  287.063   14.622  ?   ?   325.820   8.3049      ?      ? 
1 1 1  -17    5   32 o  470.611   6.6934  597.791   16.989  578.941   23.190  619.629   24.960  462.632   9.2763  478.590   9.6516 -15.95770 13.38672 
1 1 1  -17    5   33 o  231.817   6.1372  144.485   7.6651  132.684   10.390  158.579   11.355  221.492   8.6807  242.142   8.6780 -20.65080 12.27446 
1 1 1  -17    5   34 o  879.572   10.837  2097.60   51.509  2095.17   72.774  2100.04   72.916  879.063   15.320  880.081   15.332 -1.018799 21.67475 
1 1 1  -17    5   35 o  650.699   8.3922  1145.46   29.481  1115.89   40.647  1178.27   42.822  641.872   11.719  659.526   12.016 -17.65399 16.78432 
1 1 1  -17    5   36 o   63.199   13.925   8.8062   6.0060   0.0811   8.2710   18.539   8.7356   45.444   19.309   80.955   20.069 -35.51080 27.84962 
1 1 1  -17    5   37 o  375.241   6.0025  381.036   12.171  382.362   17.239  379.719   17.186  375.892   8.4872  374.591   8.4903 1.301208 12.00490 
1 1 1  -17    5   38 o  525.051   7.1608  745.538   20.290  771.187   29.621  722.865   27.850  533.523   10.275  516.578   9.9771 16.94513 14.32165 
1 1 1  -17    5   39 o  718.131   11.197  1397.56   40.801  1419.37   71.450  1387.00   49.701  721.424   18.328  714.838   12.867 6.586670 22.39378 
1 1 1  -17    5   42 o  284.618   7.0919  216.025   10.191  230.405   18.233  209.491   12.290  291.183   11.588  278.054   8.1799 13.12909 14.18387 
1 1 1  -17    5   43 o   99.433   10.424   27.005   5.5979   28.007   7.9125   26.002   7.9206  101.300   14.455   97.567   15.023 3.732658 20.84823 
1 1 1  -17    5   44 o  210.756   6.1982  120.544   7.0587  121.634   10.013  119.467   9.9520  211.704   8.7530  209.808   8.7781 1.896439 12.39635 
1 1 1  -17    5   45 o  146.404   7.3114   57.813   5.7467   67.976   8.5332   49.378   7.7739  158.112   9.9875  134.696   10.681 23.41589 14.62279 
1 1 1  -17    5   46 o   94.040   10.866   24.477   5.3821   27.867   7.9244   21.574   7.3330  100.824   14.545   87.255   16.147 13.56851 21.73223 
1 1 1  -17    5   47 o  351.121   5.7678  334.943   10.941  334.249   15.645  335.607   15.306  350.742   8.2545  351.500   8.0582 -0.7578735 11.53566 
1 1 1  -17    5   48 o  336.836   5.7187  308.183   10.403  315.813   15.013  301.135   14.429  340.827   8.1518  332.845   8.0225 7.982178 11.43734 
1 1 1  -17    5   49 f   75.912   13.237   16.893   5.4488   13.465   7.9047   19.997   7.5212   68.485   20.067   83.339   17.269 -14.85490 26.47446 
1 1 1  -17    5   50 f  207.597   6.1835  116.849   6.9108  131.943   10.158  103.845   9.4290  220.052   8.5431  195.141   8.9419 24.91090 12.36696 
1 1 1  -17    5   51 o  104.022   9.8447   30.162   5.4852   28.563   8.1816   31.468   7.3928  101.300   14.946  106.743   12.817 -5.442337 19.68935 
1 1 1  -17    5   52 o  149.749   7.3615   61.927   5.9048   58.111   8.7840   65.073   7.9756  145.334   11.185  154.164   9.5740 -8.830032 14.72302 
1 1 1  -17    5   53 o   72.514   13.194   15.525   5.1899   16.503   7.6528   14.693   7.0620   74.545   18.956   70.482   18.359 4.062614 26.38898 
1 1 1  -17    5   54 o  224.682   5.9441  137.594   7.1916  145.103   10.721  131.452   9.6966  230.155   8.6208  219.208   8.1860 10.94670 11.88815 
1 1 1  -17    5   55 o   64.524   13.024   12.313   5.3225   4.1311   7.9331   19.011   7.1778   48.929   19.648   80.118   17.100 -31.18932 26.04766 
1 1 1  -17    5   56 o  171.345   6.8003   80.742   6.2812   88.999   9.1270   73.313   8.6575  179.722   9.3981  162.967   9.8311 16.75470 13.60055 
1 1 1  -17    5   57 o  192.034   6.4353  101.459   6.6397  117.033   9.6396   87.401   9.1587  206.211   8.6509  177.857   9.5296 28.35423 12.87054 
1 1 1  -17    5   58 o   82.650   12.905   20.994   5.6376   16.781   8.0720   25.007   7.8771   73.586   19.845   91.714   16.501 -18.12768 25.80944 
1 1 1  -17    5   59 o  251.900   6.0757  175.219   8.2689  171.177   11.652  179.320   11.737  248.929   8.6621  254.870   8.5220 -5.941971 12.15137 
1 1 1  -17    5   60 o  104.288   10.793   31.544   6.0699   29.433   8.5996   33.641   8.5687  100.541   15.829  108.035   14.678 -7.493973 21.58682 
1 1 1  -17    5   61 o  169.451   7.5934   80.624   6.9481   84.767   10.015   76.779   9.6473  173.684   10.671  165.217   10.806 8.466965 15.18684 
1 1 1  -17    5   62 o   56.875   14.998   9.3962   6.2404   7.2861   8.9100   11.428   8.7429   53.346   21.018   60.403   21.400 -7.056786 29.99529 
1 1 1  -17    5   63 o   67.134   14.377   14.030   6.4064   4.6532   9.0527   23.438   9.0672   49.512   20.561   84.755   20.102 -35.24363 28.75499 
1 1 1  -17    5   64 o  104.990   13.145   35.087   7.0283   52.317   10.232   19.694   9.6710  133.625   14.170   76.355   22.145 57.27008 26.29082 
1 1 1  -17    5   65 o   71.221   16.629   20.921   7.8664   14.047   13.865   24.184   9.5528   61.151   25.424   81.291   21.439 -20.13947 33.25723 
1 1 1  -17    5   66 o   96.295   17.682   36.567   9.5890   27.883   14.463   43.378   12.809   81.515   27.593  111.076   22.118 -29.56064 35.36324 
1 1 1  -17    6    2 o  396.525   6.6869  420.481   13.475  411.438   16.380  439.414   23.701  390.079   7.7710  402.971   10.884 -12.89182 13.37372 
1 1 1  -17    6    3 o  478.869   8.8371  620.841   22.867  618.243   32.389  623.423   32.289  477.867   12.543  479.872   12.452 -2.004944 17.67428 
1 1 1  -17    6    4 o  515.730   9.3915  720.266   26.171  720.721   37.186  719.820   36.840  515.886   13.339  515.574   13.223 0.3123169 18.78293 
1 1 1  -17    6    5 o  427.879   8.1258  495.500   18.787  495.045   26.689  495.946   26.450  427.681   11.548  428.077   11.435 -0.3961487 16.25161 
1 1 1  -17    6    6 o  534.308   9.6814  773.109   27.951  765.991   39.286  780.405   39.775  531.820   13.671  536.796   13.712 -4.976624 19.36271 
1 1 1  -17    6    7 o  180.974   5.0596   88.241   4.6326   89.414   8.1600   87.683   5.6274  181.839   8.3046  180.109   5.7821 1.729141 10.11923 
1 1 1  -17    6    8 o  245.349   6.0729  162.714   8.0514   0.0000   0.0000  162.714   8.0514  ?   ?   245.349   6.0729      ?      ? 
1 1 1  -17    6    9 f  659.896   8.2381  1178.42   29.376  1172.17   41.439  1184.72   41.648  658.140   11.652  661.653   11.649 -3.513367 16.47616 
1 1 1  -17    6   10 o  703.272   12.362  1340.51   46.969  1321.40   65.617  1360.58   67.263  698.146   17.393  708.398   17.572 -10.25220 24.72425 
1 1 1  -17    6   11 o  348.135   7.2138  327.570   13.565  316.441   18.892  339.414   19.490  342.035   10.222  354.235   10.182 -12.19958 14.42761 
1 1 1  -17    6   12 o  289.149   5.7054  224.219   8.4515  220.411   10.368  231.757   14.589  285.552   6.7196  292.747   9.2224 -7.195313 11.41080 
1 1 1  -17    6   13 o  406.931   5.6418  447.682   12.404  448.567   17.714  446.830   17.374  407.323   8.0479  406.539   7.9090 0.7845154 11.28361 
1 1 1  -17    6   14 o  474.130   6.3007  607.875   16.142  605.827   22.905  609.897   22.752  473.334   8.9553  474.925   8.8656 -1.590973 12.60145 
1 1 1  -17    6   15 o  489.460   6.4564  647.820   17.076  644.475   24.163  651.156   24.135  488.197   9.1595  490.723   9.1019 -2.526489 12.91280 
1 1 1  -17    6   16 o  299.811   4.8276  242.433   7.8080  251.804   11.449  234.284   10.676  305.214   6.9416  294.409   6.7108 10.80527 9.655142 
1 1 1  -17    6   17 o  831.910   10.177  1872.74   45.738  1847.86   63.921  1898.84   65.474  826.257   14.317  837.563   14.467 -11.30530 20.35308 
1 1 1  -17    6   18 o  353.965   5.2800  338.667   10.097  330.544   14.234  346.897   14.327  349.691   7.5327  358.239   7.4009 -8.548157 10.56004 
1 1 1  -17    6   19 o  526.121   6.8737  748.414   19.541  742.659   27.578  754.218   27.694  524.089   9.7378  528.153   9.7038 -4.063965 13.74734 
1 1 1  -17    6   20 o  310.712   5.0030  260.957   8.3987  255.613   11.865  266.324   11.890  307.522   7.1400  313.901   7.0099 -6.379242 10.00591 
1 1 1  -17    6   21 o  402.440   5.7266  437.734   12.452  432.627   17.443  443.041   17.780  400.048   8.0692  404.832   8.1278 -4.784637 11.45311 
1 1 1  -17    6   22 o  998.062   12.078  2698.02   65.139  2682.78   91.674  2713.55   92.574  995.222   17.047  1000.90   17.116 -5.679993 24.15689 
1 1 1  -17    6   23 f  436.578   6.0584  514.752   14.284  500.018   19.778  530.814   20.651  430.057   8.5107  443.099   8.6247 -13.04190 12.11684 
1 1 1  -17    6   24 o  581.203   7.4998  912.952   23.541  931.105   33.988  896.215   32.636  586.746   10.720  575.660   10.492 11.08588 14.99962 
1 1 1  -17    6   25 o  1149.08   13.830  3578.16   85.842  3523.65  119.527  3636.22  123.362  1140.07   19.402  1158.08   19.713 -18.00403 27.65943 
1 1 1  -17    6   26 o  259.995   5.3091  181.932   7.4399  171.740   10.091  194.072   11.013  252.053   7.4088  267.937   7.6064 -15.88335 10.61824 
1 1 1  -17    6   27 o  274.749   5.2492  203.515   7.7797  195.019   10.626  213.332   11.422  268.588   7.3211  280.911   7.5245 -12.32336 10.49844 
1 1 1  -17    6   28 o  693.522   8.7247  1301.29   32.686  1280.30   45.550  1323.58   46.933  687.765   12.256  699.279   12.420 -11.51361 17.44940 
1 1 1  -17    6   29 o  405.568   6.0311  444.803   13.217  444.396   18.675  445.212   18.710  405.382   8.5252  405.754   8.5332 -0.3717041 12.06214 
1 1 1  -17    6   30 o  307.452   5.6255  255.587   9.3450  260.608   13.250  250.616   13.182  310.459   7.8981  304.445   8.0129 6.013245 11.25102 
1 1 1  -17    6   31 o  743.330   9.3310  1496.25   37.479  1499.54   53.176  1493.00   52.832  744.139   13.224  742.521   13.168 1.617676 18.66195 
1 1 1  -17    6   32 o  690.370   8.7793  1290.32   32.749  1280.34   45.965  1300.61   46.670  687.664   12.370  693.075   12.462 -5.410095 17.55857 
1 1 1  -17    6   33 f  942.598   11.551  2408.41   58.811  2369.05   81.833  2450.46   84.579  934.665   16.202  950.531   16.467 -15.86639 23.10138 
1 1 1  -17    6   34 o  561.222   7.5152  852.454   22.788  842.387   31.912  862.928   32.552  557.846   10.586  564.598   10.670 -6.752014 15.03040 
1 1 1  -17    6   35 o  342.339   5.9320  317.053   10.973  315.603   15.546  318.493   15.491  341.557   8.4231  343.120   8.3550 -1.563416 11.86402 
1 1 1  -17    6   36 o  105.665   15.939   30.318   9.1006   0.0000   0.0000   30.318   9.1006  ?   ?   105.665   15.939      ?      ? 
1 1 1  -17    6   37 o  787.143   9.8394  1681.82   41.847  1664.65   58.673  1699.59   59.703  783.069   13.866  791.217   13.964 -8.147278 19.67885 
1 1 1  -17    6   38 o  572.041   7.6092  883.964   23.462  926.297   34.702  848.321   31.842  584.577   10.986  559.505   10.532 25.07245 15.21850 
1 1 1  -17    6   41 o  230.538   8.5169  144.220   10.596  155.023   15.288  134.234   14.699  238.855   11.845  222.220   12.241 16.63408 17.03377 
1 1 1  -17    6   42 o  521.088   7.1151  737.015   20.034  736.572   28.418  737.451   28.248  520.925   10.096  521.251   10.029 -0.3265991 14.23027 
1 1 1  -17    6   43 o  326.086   5.7855  287.875   10.180  295.839   14.875  280.861   13.961  330.300   8.3341  321.872   8.0269 8.427643 11.57097 
1 1 1  -17    6   44 o  311.860   5.7507  263.691   9.6854  268.589   13.983  259.173   13.428  314.628   8.2245  309.092   8.0399 5.535461 11.50144 
1 1 1  -17    6   45 f  272.020   5.6907  200.589   8.3583  204.857   12.107  196.703   11.553  274.767   8.1543  269.273   7.9399 5.494141 11.38137 
1 1 1  -17    6   46 o  199.839   6.2045  108.414   6.6955  103.079   9.3232  114.096   9.6217  194.756   8.8590  204.922   8.6891 -10.16595 12.40898 
1 1 1  -17    6   47 o  226.174   5.8748  139.069   7.1766  138.531   10.297  139.578   10.008  225.725   8.4421  226.622   8.1723 -0.8966980 11.74965 
1 1 1  -17    6   48 o  222.697   6.0989  135.096   7.3317  129.847   10.459  140.167   10.281  218.395   8.8623  226.999   8.3813 -8.603745 12.19782 
1 1 1  -17    6   49 o  251.478   5.7607  172.052   7.8256  172.625   11.222  171.510   10.918  251.864   8.2454  251.092   8.0471 0.7725830 11.52141 
1 1 1  -17    6   50 o  283.816   5.7000  219.299   8.7393  224.231   12.546  214.650   12.180  286.906   8.0925  280.727   8.0294 6.178802 11.40005 
1 1 1  -17    6   51 o  230.448   5.9492  143.598   7.3696  157.782   11.141  132.563   9.8267  240.432   8.5752  220.464   8.2486 19.96777 11.89845 
1 1 1  -17    6   52 o  391.002   6.1218  417.005   12.917  431.869   18.876  403.914   17.714  397.476   8.7882  384.528   8.5249 12.94794 12.24364 
1 1 1  -17    6   53 o  225.275   6.0576  138.883   7.3644  139.355   10.698  138.458   10.153  225.566   8.7769  224.984   8.3514 0.5825653 12.11527 
1 1 1  -17    6   54 o  168.147   6.8573   77.586   6.2113   79.981   9.2074   75.586   8.4142  170.430   9.9978  165.865   9.3879 4.564346 13.71456 
1 1 1  -17    6   55 o  209.225   6.1355  119.760   6.9201  126.852   10.227  113.771   9.3982  214.864   8.8086  203.585   8.5430 11.27867 12.27091 
1 1 1  -17    6   56 o   43.067   13.052   0.7032   5.4301   0.1756   7.8164   1.1952   7.5491   42.697   18.464   43.437   18.451 -0.7393684 26.10300 
1 1 1  -17    6   57 o   82.621   12.889   20.744   5.6311   16.471   7.9032   25.149   8.0253   73.201   19.593   92.041   16.753 -18.83983 25.77880 
1 1 1  -17    6   58 o   43.585   13.234   0.9661   5.5989   1.2191   8.0473   0.7288   7.7950   44.207   18.920   42.963   18.509 1.243950 26.46814 
1 1 1  -17    6   59 o  128.292   8.8531   46.403   6.1272   50.143   8.9293   43.074   8.4231  133.216   12.404  123.368   12.635 9.848099 17.70625 
1 1 1  -17    6   60 o   87.652   12.195   23.369   5.6319   20.216   8.1967   26.188   7.7515   80.373   19.146   94.930   15.111 -14.55658 24.39087 
1 1 1  -17    6   61 o  122.724   9.2181   43.169   6.1017   42.756   8.8715   43.540   8.4055  121.933   13.464  123.514   12.594 -1.581741 18.43626 
1 1 1  -17    6   62 o   53.544   14.158   7.6364   5.9436   1.3922   8.9648   12.534   7.9392   44.960   19.606   62.128   20.431 -17.16842 28.31660 
1 1 1  -17    6   63 o   96.286   13.223   28.780   6.5890   34.135   10.092   24.802   8.6990  104.213   18.604   88.359   18.797 15.85438 26.44679 
1 1 1  -17    6   64 o   38.642   12.648  -4.3540   6.1771  -2.3481   9.4056  -5.8753   8.1912   41.640   18.968   35.645   16.736 5.995224 25.29628 
1 1 1  -17    6   65 o   56.266   16.682   6.9997   8.6391   19.698   13.991  -0.8255   10.983   68.368   26.509   44.164   20.261 24.20456 33.36497 
1 1 1  -17    6   66 o  108.651   15.910   39.740   9.2032   65.293   15.115   24.685   11.602  138.360   20.217   78.942   24.572 59.41803 31.81988 
1 1 1  -17    7    1 o  667.533   11.741  1207.10   42.326  1230.18   61.109  1185.81   58.679  673.639   16.788  661.427   16.418 12.21143 23.48137 
1 1 1  -17    7    2 o  813.091   14.061  1794.40   61.771  1810.14   88.253  1779.28   86.488  816.564   20.001  809.619   19.769 6.945129 28.12224 
1 1 1  -17    7    3 o  164.899   5.9774   73.744   5.3055   70.653   7.7547   76.464   7.2746  161.634   8.8786  168.164   8.0055 -6.530197 11.95481 
1 1 1  -17    7    4 o  872.982   12.951  2088.29   58.615  1990.31   96.540  2145.50   73.770  856.084   20.869  889.881   15.341 -33.79633 25.90104 
1 1 1  -17    7    5 o  366.832   5.3003  363.841   10.506  359.608   14.889  368.039   14.825  364.705   7.5552  368.959   7.4359 -4.254181 10.60067 
1 1 1  -17    7    6 o  807.685   9.9031  1766.22   43.217  1748.23   60.587  1784.85   61.663  803.506   13.954  811.864   14.056 -8.358032 19.80611 
1 1 1  -17    7    7 o  1066.08   12.859  3081.97   74.077  3084.17  104.911  3079.79  104.611  1066.45   18.205  1065.70   18.166 0.7474365 25.71802 
1 1 1  -17    7    8 o  179.145   4.4537   86.789   4.3051   85.931   6.2419   87.567   5.9456  178.298   6.4786  179.992   6.1130 -1.693665 8.907344 
1 1 1  -17    7    9 o  271.965   6.6759  200.126   9.8052  196.577   14.031  203.514   13.708  269.602   9.6308  274.328   9.2476 -4.726257 13.35181 
1 1 1  -17    7   10 o  518.493   9.5742  727.430   26.818  712.838   37.448  742.793   38.425  513.160   13.505  523.826   13.575 -10.66595 19.14831 
1 1 1  -17    7   11 o  423.513   8.2509  483.949   18.839  504.279   27.792  466.667   25.625  431.706   11.914  415.319   11.418 16.38699 16.50171 
1 1 1  -17    7   12 o  744.407   9.1974  1499.72   36.996  1490.53   52.124  1509.05   52.519  742.110   12.998  746.704   13.016 -4.594238 18.39485 
1 1 1  -17    7   13 o  300.009   4.8544  243.055   7.8603  247.923   11.443  238.705   10.816  302.848   6.9921  297.169   6.7357 5.678680 9.708756 
1 1 1  -17    7   14 o  281.347   4.7296  214.031   7.1864  211.448   10.300  216.482   10.031  279.690   6.8152  283.004   6.5597 -3.314362 9.459168 
1 1 1  -17    7   15 o  204.446   4.6208  112.949   5.0929  113.354   7.4684  112.596   6.9631  204.786   6.7489  204.106   6.3134 0.6806030 9.241586 
1 1 1  -17    7   16 o  376.991   5.4696  384.071   11.136  387.392   16.054  380.991   15.460  378.558   7.8479  375.423   7.6209 3.134827 10.93930 
1 1 1  -17    7   17 o  722.825   8.9738  1413.41   35.050  1403.68   49.379  1423.30   49.759  720.318   12.686  725.333   12.695 -5.015381 17.94754 
1 1 1  -17    7   18 o  511.048   6.7377  706.109   18.606  698.986   26.231  713.321   26.395  508.454   9.5473  513.643   9.5099 -5.188751 13.47550 
1 1 1  -17    7   19 o  1312.95   15.722  4674.63  111.524  4622.57  156.004  4729.04  159.490  1305.50   22.114  1320.40   22.353 -14.89453 31.44368 
1 1 1  -17    7   20 f  943.621   11.466  2411.03   58.465  2406.49   82.659  2415.57   82.706  942.731   16.226  944.511   16.205 -1.779114 22.93207 
1 1 1  -17    7   21 f  947.226   11.514  2429.74   58.935  2431.03   83.569  2428.47   83.126  947.469   16.323  946.982   16.245 0.4876099 23.02858 
1 1 1  -17    7   22 o  639.861   8.1039  1104.76   27.972  1063.60   38.224  1152.21   41.043  627.073   11.281  652.648   11.638 -25.57532 16.20773 
1 1 1  -17    7   23 o  714.815   8.9251  1382.33   34.470  1391.64   49.180  1373.33   48.327  717.175   12.691  712.454   12.553 4.721252 17.85011 
1 1 1  -17    7   24 o  513.464   6.8201  712.910   18.922  713.813   26.903  712.027   26.619  513.783   9.6901  513.144   9.5999 0.6392212 13.64024 
1 1 1  -17    7   25 o  427.944   6.0951  495.183   14.094  491.860   19.998  498.463   19.866  426.516   8.6770  429.373   8.5622 -2.857513 12.19025 
1 1 1  -17    7   26 o  262.290   5.3263  185.987   7.5491  185.451   10.677  186.523   10.675  261.912   7.5442  262.669   7.5208 -0.7566223 10.65258 
1 1 1  -17    7   27 o  535.711   7.1035  775.911   20.557  761.241   28.634  791.514   29.530  530.492   9.9889  540.930   10.103 -10.43799 14.20710 
1 1 1  -17    7   28 o  880.250   10.795  2097.71   51.317  2053.43   71.067  2145.95   74.178  870.578   15.107  889.922   15.425 -19.34344 21.59068 
1 1 1  -17    7   29 o  880.271   10.823  2098.42   51.466  2063.45   71.655  2135.68   73.968  872.718   15.195  887.825   15.418 -15.10754 21.64687 
1 1 1  -17    7   30 o  393.190   6.0341  418.044   12.819  415.073   17.984  421.112   18.278  391.772   8.4951  394.609   8.5716 -2.836365 12.06813 
1 1 1  -17    7   31 o  755.464   9.4691  1545.53   38.651  1528.31   54.157  1563.40   55.178  751.184   13.342  759.744   13.440 -8.559998 18.93812 
1 1 1  -17    7   33 o  741.690   9.3438  1489.95   37.440  1468.56   52.253  1512.52   53.670  736.234   13.134  747.147   13.294 -10.91345 18.68766 
1 1 1  -17    7   34 o  221.004   6.3233  131.313   7.5254  121.992   10.143  142.728   11.224  212.338   8.8398  229.670   9.0440 -17.33168 12.64665 
1 1 1  -17    7   35 o  797.180   9.9517  1723.02   42.863  1703.17   60.022  1743.69   61.232  792.506   14.016  801.855   14.132 -9.349304 19.90347 
1 1 1  -17    7   36 o  571.163   7.6143  883.760   23.500  886.101   33.359  881.454   33.110  571.910   10.794  570.416   10.742 1.494141 15.22860 
1 1 1  -17    7   37 o  579.137   7.6918  908.700   24.066  894.667   33.599  923.483   34.486  574.557   10.822  583.717   10.933 -9.160767 15.38355 
1 1 1  -17    7   38 o  234.137   9.0150  146.887   11.323  133.288   14.955  165.158   17.334  221.622   12.488  246.652   13.005 -25.03050 18.02993 
1 1 1  -17    7   40 o  358.852   12.482  350.000   24.204  350.000   24.204   0.0000   0.0000  358.852   12.482  ?   ?       ?      ? 
1 1 1  -17    7   41 o  256.993   7.2754  181.653   9.4453  172.387   16.396  186.256   11.555  251.805   12.050  262.181   8.1564 -10.37659 14.55077 
1 1 1  -17    7   42 o  184.730   6.6671   91.878   6.6267  100.700   9.9486   84.842   8.8845  192.628   9.5578  176.833   9.2979 15.79546 13.33420 
1 1 1  -17    7   43 o   79.302   12.733   17.577   5.3772   23.881   8.0954   12.600   7.1933   91.862   16.933   66.742   19.021 25.11994 25.46616 
1 1 1  -17    7   44 o  127.340   8.4425   44.120   5.8030   46.277   8.4484   42.194   7.9845  130.274   12.001  124.406   11.877 5.867928 16.88498 
1 1 1  -17    7   45 o  241.169   5.8790  157.661   7.6560  165.242   11.068  150.705   10.602  246.722   8.3015  235.616   8.3269 11.10590 11.75807 
1 1 1  -17    7   46 o  167.873   6.8471   76.999   6.1881   71.975   8.9402   81.621   8.5740  162.529   10.180  173.217   9.1602 -10.68726 13.69420 
1 1 1  -17    7   47 o  115.771   9.1387   36.907   5.6908   35.090   8.3262   38.500   7.7958  112.987   13.637  118.555   12.169 -5.568428 18.27745 
1 1 1  -17    7   48 o  239.554   5.8797  155.931   7.6057  161.367   11.011  150.971   10.518  243.531   8.3672  235.576   8.2626 7.955414 11.75931 
1 1 1  -17    7   49 o  166.038   6.9746   75.240   6.2318   76.073   9.2649   74.551   8.4215  166.799   10.279  165.277   9.4295 1.521271 13.94912 
1 1 1  -17    7   50 o   95.408   11.069   25.868   5.5462   23.718   8.0164   27.843   7.6814   90.639   16.991  100.177   14.190 -9.537689 22.13747 
1 1 1  -17    7   51 o  429.938   8.9518  505.192   20.797   0.0000   0.0000  505.192   20.797  ?   ?   429.938   8.9518      ?      ? 
1 1 1  -17    7   52 o  147.868   7.6034   60.253   6.0463   59.448   8.9637   60.926   8.1901  146.818   11.299  148.918   10.178 -2.099792 15.20671 
1 1 1  -17    7   53 o  366.373   5.9843  366.709   11.817  377.725   17.444  357.367   16.065  371.314   8.6940  361.431   8.2257 9.883331 11.96868 
1 1 1  -17    7   54 o  190.668   6.4667   99.921   6.6545   99.178   9.6304  100.600   9.2058  189.905   9.3847  191.431   8.8994 -1.526184 12.93335 
1 1 1  -17    7   55 o  304.782   5.8040  254.073   9.5450  267.639   13.964  242.175   13.077  312.363   8.2727  297.202   8.1429 15.16135 11.60794 
1 1 1  -17    7   56 o   70.529   13.883   15.022   5.4658   16.837   8.2133   13.578   7.3228   74.101   20.033   66.956   19.227 7.144249 27.76684 
1 1 1  -17    7   57 o  229.537   6.0676  144.846   7.5154  155.843   10.897  134.869   10.379  237.882   8.4770  221.193   8.6835 16.68855 12.13518 
1 1 1  -17    7   58 o   39.842   12.489  -2.1412   5.5515  -7.2093   8.2237   2.1020   7.5248   35.490   16.698   44.193   18.577 -8.703056 24.97855 
1 1 1  -17    7   59 o  118.193   9.8540   39.618   6.2660   44.910   9.3239   35.260   8.4617  125.415   13.758  110.972   14.111 14.44304 19.70798 
1 1 1  -17    7   60 o   63.015   14.664   12.173   5.8100   14.823   8.5698   9.9182   7.9039   68.125   21.104   57.905   20.365 10.21988 29.32829 
1 1 1  -17    7   61 o   85.918   13.063   22.414   6.0992   33.396   9.2153   13.853   8.1363  106.103   16.073   65.734   20.597 40.36890 26.12596 
1 1 1  -17    7   62 o   42.941   13.202  -2.4918   6.2380   7.2527   9.0772 -11.2122   8.5869   53.153   21.127   32.728   15.839 20.42479 26.40494 
1 1 1  -17    7   63 o  204.504   7.2786  118.118   8.0133  106.911   11.339  129.298   11.326  194.369   10.796  214.639   9.7649 -20.26921 14.55716 
1 1 1  -17    7   64 o   89.160   15.557   24.162   7.8517   50.405   13.699   11.324   9.5818  120.149   21.907   58.172   22.094 61.97776 31.11358 
1 1 1  -17    7   65 o  130.292   14.007   56.827   9.4623   52.995   14.228   59.865   12.670  122.909   22.242  137.675   17.031 -14.76563 28.01338 
1 1 1  -17    7   66 o  132.383   11.704   56.182   8.2020   54.431   10.572   58.829   13.000  131.953   14.827  132.812   18.114 -0.8593445 23.40799 
1 1 1  -17    8    1 o  505.987   8.0770  694.992   20.946  685.360   35.708  700.045   25.862  503.193   13.132  508.781   9.4070 -5.587830 16.15403 
1 1 1  -17    8    2 o  916.992   11.154  2277.88   55.270  2270.89   78.063  2284.90   78.264  915.581   15.778  918.403   15.770 -2.822754 22.30831 
1 1 1  -17    8    3 o  103.131   8.9829   28.761   5.0061   28.761   5.0061   0.0000   0.0000  103.131   8.9829  ?   ?       ?      ? 
1 1 1  -17    8    4 o  428.033   5.8845  495.210   13.605  500.530   19.572  490.236   18.924  430.253   8.4184  425.813   8.2244 4.439728 11.76900 
1 1 1  -17    8    5 o  548.631   7.0999  813.661   21.042  796.228   29.323  832.169   30.213  542.578   10.001  554.684   10.080 -12.10590 14.19984 
1 1 1  -17    8    6 o  531.856   6.9261  764.686   19.896  775.627   28.661  754.510   27.641  535.520   9.9043  528.192   9.6845 7.328674 13.85221 
1 1 1  -17    8    7 o  479.217   6.3885  620.738   16.540  607.778   23.105  634.358   23.687  474.090   9.0191  484.344   9.0504 -10.25412 12.77709 
1 1 1  -17    8    8 o  525.355   9.7466  746.487   27.655  726.802   38.358  767.793   39.907  518.156   13.700  532.554   13.867 -14.39868 19.49326 
1 1 1  -17    8    9 o  176.362   7.1493   84.610   6.7736   76.329   9.7628   92.297   9.4057  167.981   10.755  184.744   9.4218 -16.76273 14.29855 
1 1 1  -17    8   10 o  757.159   13.269  1551.71   54.209  1601.58   79.264  1507.88   74.303  768.523   19.087  745.795   18.437 22.72791 26.53747 
1 1 1  -17    8   11 o  586.513   7.5000  930.410   23.768  932.525   33.849  928.353   33.381  587.167   10.668  585.860   10.544 1.307373 14.99991 
1 1 1  -17    8   12 o  525.438   6.8779  746.614   19.527  744.459   27.742  748.730   27.491  524.683   9.7848  526.192   9.6685 -1.508301 13.75578 
1 1 1  -17    8   13 o  168.162   4.9322   75.958   4.4391   79.782   6.8318   73.164   5.8399  171.798   7.3591  164.526   6.5687 7.271423 9.864321 
1 1 1  -17    8   14 o  1137.31   13.691  3505.70   84.133  3524.27  119.760  3487.61  118.218  1140.27   19.436  1134.36   19.286 5.917603 27.38113 
1 1 1  -17    8   15 o  643.448   8.1267  1119.83   28.255  1119.42   40.102  1120.22   39.818  643.330   11.536  643.567   11.450 -0.2363281 16.25333 
1 1 1  -17    8   16 o  210.658   4.8540  120.222   5.5078  115.820   8.0278  124.138   7.5708  207.002   7.1769  214.314   6.5374 -7.311676 9.707961 
1 1 1  -17    8   17 o  400.858   5.7339  434.102   12.409  440.494   17.982  428.291   17.147  403.670   8.2436  398.046   7.9719 5.623779 11.46772 
1 1 1  -17    8   18 o  183.481   5.0266   90.769   4.9585   93.166   7.4364   88.850   6.6535  185.653   7.4127  181.308   6.7912 4.344742 10.05323 
1 1 1  -17    8   19 o  1261.74   15.137  4315.87  103.161  4244.37  143.463  4392.44  148.449  1250.97   21.223  1272.52   21.589 -21.54919 30.27341 
1 1 1  -17    8   20 o  1048.59   12.680  2977.47   71.820  2925.54   99.852  3033.12  103.378  1039.15   17.782  1058.03   18.082 -18.88452 25.36074 
1 1 1  -17    8   21 o  747.392   9.2777  1507.25   37.393  1448.49   50.945  1575.87   55.057  731.666   12.885  763.117   13.352 -31.45081 18.55544 
1 1 1  -17    8   22 o  117.277   7.2183   36.967   4.5571   39.786   6.8176   34.691   6.1269  121.290   10.402  113.263   10.011 8.027252 14.43660 
1 1 1  -17    8   23 o  442.931   6.2499  530.018   14.953  512.976   20.813  548.198   21.496  435.578   8.8426  450.283   8.8347 -14.70566 12.49977 
1 1 1  -17    8   24 o  510.233   6.8640  703.688   18.915  714.196   27.266  693.938   26.262  513.898   9.8188  506.568   9.5942 7.329956 13.72800 
1 1 1  -17    8   25 o  749.726   9.3552  1521.37   37.898  1509.51   53.265  1533.54   53.934  746.769   13.200  752.683   13.261 -5.914307 18.71036 
1 1 1  -17    8   26 o   98.029   10.051   26.952   5.0601   20.865   7.3018   32.576   7.0188   86.345   16.246  109.714   11.839 -23.36928 20.10209 
1 1 1  -17    8   27 o  327.126   5.5574  289.188   9.8202  278.656   13.725  300.234   14.056  321.026   7.9122  333.227   7.8062 -12.20132 11.11487 
1 1 1  -17    8   29 o  688.090   8.7391  1281.08   32.484  1256.55   45.276  1307.10   46.634  681.312   12.298  694.868   12.420 -13.55664 17.47827 
1 1 1  -17    8   30 o  400.883   6.1640  434.573   13.349  438.033   19.136  431.293   18.631  402.433   8.7998  399.333   8.6340 3.100098 12.32808 
1 1 1  -17    8   31 o  479.180   6.8469  614.841   17.618  566.909   23.372  677.923   26.812  457.785   9.4480  500.574   9.9123 -42.78891 13.69378 
1 1 1  -17    8   32 o  561.375   7.5252  852.873   22.826  840.541   32.112  865.470   32.453  557.271   10.664  565.479   10.621 -8.207520 15.05035 
1 1 1  -17    8   33 o  211.598   6.6270  120.798   7.5655  112.735   10.391  129.894   11.037  204.105   9.4213  219.092   9.3225 -14.98686 13.25402 
1 1 1  -17    8   34 o  394.035   6.2038  419.978   13.207  425.228   18.909  414.977   18.454  396.435   8.8268  391.634   8.7199 4.800690 12.40764 
1 1 1  -17    8   35 o  183.564   7.0364   90.600   6.9325   76.897   9.4184  106.801   10.241  168.506   10.344  198.621   9.5421 -30.11488 14.07279 
1 1 1  -17    8   36 o  203.289   6.4457  111.942   7.0777  109.090   10.058  114.741   9.9618  200.714   9.2733  205.863   8.9552 -5.148376 12.89142 
1 1 1  -17    8   37 o  335.757   7.2085  306.412   12.383  302.477   21.188  308.454   15.261  333.958   11.741  337.556   8.3667 -3.598419 14.41705 
1 1 1  -17    8   40 o  173.305   10.113   79.838   9.3479   99.640   14.510   65.788   12.222  191.252   14.040  155.357   14.559 35.89500 20.22607 
1 1 1  -17    8   41 o  192.366   6.6356  100.364   6.8909  101.007   9.9819   99.778   9.5245  192.938   9.5743  191.794   9.1901 1.144592 13.27123 
1 1 1  -17    8   42 o  173.978   6.9839   82.317   6.5562   79.748   9.4341   84.716   9.1177  171.320   10.191  176.636   9.5525 -5.316086 13.96788 
1 1 1  -17    8   43 o   57.183   13.861   7.4903   5.4272   12.665   7.9138   2.8952   7.4570   67.203   20.176   47.164   19.011 20.03897 27.72177 
1 1 1  -17    8   44 o  236.091   5.9184  151.274   7.5479  151.781   10.824  150.793   10.530  236.463   8.4713  235.718   8.2673 0.7446594 11.83685 
1 1 1  -17    8   45 f  181.068   6.9185   89.598   6.7095   75.418   9.4240  104.173   9.5547  166.382   10.482  195.753   9.0327 -29.37111 13.83694 
1 1 1  -17    8   46 o  346.651   5.9053  326.707   11.057  326.254   15.873  327.135   15.410  346.383   8.4805  346.918   8.2200 -0.5343628 11.81052 
1 1 1  -17    8   47 f  437.680   6.4628  521.650   15.275  525.204   22.032  518.359   21.197  439.059   9.2861  436.302   8.9909 2.756989 12.92550 
1 1 1  -17    8   48 o  140.182   7.9103   53.690   5.9536   54.760   8.9788   52.852   7.9534  141.329   11.757  139.036   10.586 2.293030 15.82070 
1 1 1  -17    8   49 o  141.172   7.6280   55.321   5.7430   48.179   8.4406   61.478   7.8366  132.380   11.799  149.964   9.6705 -17.58328 15.25605 
1 1 1  -17    8   50 o  244.413   5.8755  162.814   7.7563  167.592   11.176  158.373   10.774  247.860   8.3442  240.966   8.2740 6.893860 11.75092 
1 1 1  -17    8   51 o  238.003   5.8954  154.158   7.5564  160.504   11.241  148.927   10.207  242.383   8.5822  233.623   8.0850 8.759552 11.79079 
1 1 1  -17    8   52 o  135.882   7.7041   50.301   5.6187   58.946   8.4681   43.503   7.5099  146.227   10.717  125.537   11.071 20.69023 15.40823 
1 1 1  -17    8   53 o  157.075   7.3401   67.670   6.1987   71.492   9.3365   64.657   8.2892  160.910   10.738  153.240   10.010 7.669342 14.68022 
1 1 1  -17    8   54 o  365.261   6.0301  366.044   11.896  369.918   17.134  362.440   16.529  367.052   8.6388  363.471   8.4154 3.580994 12.06019 
1 1 1  -17    8   55 o  130.692   8.6813   47.602   6.0978   54.707   8.8633   41.217   8.4025  140.124   11.706  121.260   12.823 18.86347 17.36254 
1 1 1  -17    8   56 o  155.049   7.6001   66.965   6.3531   65.261   9.2267   68.501   8.7607  152.998   11.160  157.101   10.320 -4.102966 15.20028 
1 1 1  -17    8   57 o   47.837   13.681   4.0826   5.4812   3.1307   8.1932   4.8539   7.3746   47.245   19.585   48.429   19.108 -1.183819 27.36239 
1 1 1  -17    8   58 o  204.013   6.6491  115.206   7.3150  118.740   10.755  112.163   9.9785  206.794   9.6247  201.232   9.1765 5.562103 13.29827 
1 1 1  -17    8   59 o   80.564   13.701   20.051   6.0267   27.468   8.8892   13.741   8.1986   94.864   17.999   66.263   20.661 28.60043 27.40195 
1 1 1  -17    8   60 f  216.034   6.5642  129.622   7.6452  134.130   11.270  125.779   10.406  219.349   9.5080  212.718   9.0527 6.631195 13.12836 
1 1 1  -17    8   61 o   88.034   13.582   24.548   6.3026   31.653   9.4396   18.832   8.4660  100.453   18.054   75.615   20.295 24.83724 27.16305 
1 1 1  -17    8   62 o   91.767   13.458   26.936   6.4518   24.806   9.2591   28.946   8.9951   87.388   20.035   96.146   17.974 -8.757439 26.91652 
1 1 1  -17    8   63 o   68.069   15.692   15.029   6.6405   19.561   10.172   11.663   8.7663   75.473   22.923   60.665   21.436 14.80825 31.38399 
1 1 1  -17    8   64 o  137.020   13.591   63.663   9.8328   61.081   15.208   65.518   12.889  131.260   21.441  142.781   16.706 -11.52127 27.18122 
1 1 1  -17    8   65 o   71.671   18.342   20.051   9.0257   23.919   14.067   17.345   11.767   75.848   27.116   67.494   24.708 8.353691 36.68418 
1 1 1  -17    9    1 f  238.733   4.7378  154.266   6.1033  146.670   8.7017  161.622   8.5628  232.937   6.9132  244.529   6.4804 -11.59193 9.475604 
1 1 1  -17    9    2 o  353.635   5.3484  338.081   10.219  338.005   14.566  338.155   14.341  353.595   7.6232  353.676   7.5039 -0.8160400E-01 10.69684 
1 1 1  -17    9    3 o  520.359   6.8324  732.215   19.209  735.592   27.402  728.952   26.936  521.535   9.7234  519.182   9.6012 2.353271 13.66480 
1 1 1  -17    9    6 o  319.000   5.0883  275.146   8.7675  265.951   12.392  284.364   12.407  313.659   7.3111  324.341   7.0788 -10.68146 10.17654 
1 1 1  -17    9    7 o  381.925   7.9711  394.480   16.438  397.297   23.755  391.892   22.770  383.225   11.471  380.625   11.071 2.599304 15.94216 
1 1 1  -17    9    8 o  550.860   10.200  821.105   30.348  832.658   43.718  810.360   42.162  554.586   14.588  547.134   14.261 7.451538 20.40067 
1 1 1  -17    9    9 o  1422.55   20.882  5524.24  151.913  5551.90  187.095  5470.72  260.252  1429.64   24.219  1415.46   34.026 14.17712 41.76469 
1 1 1  -17    9   10 o  312.886   5.0891  264.652   8.6008  255.064   12.125  274.361   12.202  307.180   7.3049  318.593   7.0876 -11.41245 10.17822 
1 1 1  -17    9   11 o  175.026   5.0695   82.248   4.7700   88.126   7.1997   77.650   6.3683  180.560   7.3791  169.493   6.9531 11.06656 10.13891 
1 1 1  -17    9   12 o  1012.36   12.261  2775.58   67.066  2795.64   95.677  2756.20   94.036  1015.94   17.428  1008.77   17.251 7.166809 24.52219 
1 1 1  -17    9   13 o  550.615   7.1775  819.654   21.349  825.606   30.618  814.022   29.784  552.556   10.254  548.675   10.046 3.880676 14.35505 
1 1 1  -17    9   14 o  542.379   7.0944  795.321   20.791  784.054   29.209  806.892   29.601  538.486   10.038  546.272   10.028 -7.786499 14.18881 
1 1 1  -17    9   15 o  515.203   6.8455  717.328   19.053  700.184   26.599  735.394   27.305  508.884   9.6731  521.521   9.6889 -12.63745 13.69101 
1 1 1  -17    9   16 o  640.664   8.1269  1109.20   28.112  1132.40   40.745  1088.13   38.835  647.042   11.654  634.287   11.331 12.75464 16.25386 
1 1 1  -17    9   17 o  368.224   5.5170  366.552   10.973  365.578   15.727  367.476   15.319  367.745   7.9141  368.703   7.6887 -0.9584961 11.03400 
1 1 1  -17    9   18 o  827.158   10.174  1851.56   45.466  1868.54   65.036  1835.32   63.586  830.857   14.486  823.460   14.290 7.396973 20.34790 
1 1 1  -17    9   19 o  705.972   8.8465  1347.00   33.716  1379.54   48.971  1317.67   46.489  714.056   12.692  697.887   12.328 16.16858 17.69309 
1 1 1  -17    9   20 o  871.971   10.684  2058.05   50.337  2034.13   70.538  2082.87   71.856  866.815   15.059  877.127   15.160 -10.31183 21.36880 
1 1 1  -17    9   21 o  542.893   7.1498  796.730   20.971  779.617   29.316  814.664   30.010  536.925   10.104  548.860   10.118 -11.93512 14.29965 
1 1 1  -17    9   22 o  625.477   8.0204  1058.08   27.106  1041.93   38.031  1074.75   38.642  620.627   11.340  630.328   11.345 -9.700134 16.04090 
1 1 1  -17    9   23 o  569.005   7.4637  875.477   22.945  859.537   32.121  892.086   32.788  563.718   10.545  574.291   10.566 -10.57300 14.92730 
1 1 1  -17    9   24 o  867.099   10.661  2029.14   49.818  1943.03   67.509  2132.11   73.822  847.020   14.750  887.180   15.399 -40.15991 21.32294 
1 1 1  -17    9   25 o  122.258   8.3422   40.596   5.4553   33.525   7.6209   48.026   7.8127  111.285   12.673  133.231   10.852 -21.94545 16.68437 
1 1 1  -17    9   26 o  1141.61   13.799  3536.43   85.105  3489.73  118.873  3585.53  121.897  1133.91   19.401  1149.31   19.628 -15.39819 27.59766 
1 1 1  -17    9   28 o  875.818   10.803  2078.33   51.122  2055.07   71.699  2102.39   72.911  870.840   15.236  880.796   15.319 -9.955811 21.60604 
1 1 1  -17    9   29 o  243.936   6.1299  160.618   8.0719  170.107   11.709  152.023   11.143  250.789   8.6399  237.082   8.6981 13.70688 12.25986 
1 1 1  -17    9   30 o  483.272   6.8463  630.965   17.866  607.472   24.717  656.668   25.854  473.867   9.6529  492.677   9.7113 -18.81064 13.69258 
1 1 1  -17    9   31 o  544.948   7.4135  803.735   21.830  801.446   30.923  806.010   30.823  544.171   10.516  545.724   10.452 -1.552612 14.82699 
1 1 1  -17    9   32 o  560.875   7.5535  851.077   22.884  828.809   31.836  874.885   32.918  553.293   10.648  568.458   10.716 -15.16406 15.10699 
1 1 1  -17    9   33 o  393.775   6.2245  419.446   13.243  410.150   18.591  429.023   18.869  389.344   8.8364  398.205   8.7689 -8.861450 12.44893 
1 1 1  -17    9   34 o  104.346   11.036   29.660   6.2041   27.727   8.9152   31.475   8.6393  101.014   16.333  107.679   14.848 -6.664757 22.07296 
1 1 1  -17    9   35 o  323.312   5.9774  282.986   10.441  278.263   14.806  287.659   14.727  320.621   8.5459  326.002   8.3597 -5.381104 11.95483 
1 1 1  -17    9   36 o  217.345   8.0016  127.603   8.7385  129.369   15.590  126.794   10.552  218.300   13.216  216.390   9.0241 1.909424 16.00318 
1 1 1  -17    9   37 o  175.322   16.675   83.739   15.798   83.739   15.798   0.0000   0.0000  175.322   16.675  ?   ?       ?      ? 
1 1 1  -17    9   39 o  313.600   8.3599  267.254   14.159  266.441   20.336  268.018   19.726  313.108   12.019  314.092   11.623 -0.9848633 16.71972 
1 1 1  -17    9   40 o  253.792   5.9671  174.817   8.1698  169.724   11.790  179.520   11.331  250.204   8.7207  257.380   8.1472 -7.175568 11.93425 
1 1 1  -17    9   41 o  295.510   5.7966  236.590   9.2256  238.864   13.641  234.673   12.525  296.778   8.5059  294.242   7.8772 2.536530 11.59313 
1 1 1  -17    9   42 o  123.471   8.9586   42.382   5.8183   31.526   8.2679   53.034   8.1893  107.347   14.253  139.594   10.856 -32.24769 17.91716 
1 1 1  -17    9   43 o  233.084   5.9538  147.961   7.4720  136.085   10.697  159.275   10.441  223.866   8.8430  242.303   7.9746 -18.43735 11.90765 
1 1 1  -17    9   44 o  353.721   5.9295  339.402   11.310  345.114   16.598  334.452   15.452  356.446   8.6175  350.996   8.1471 5.449707 11.85900 
1 1 1  -17    9   45 o  278.546   5.8131  210.568   8.7319  214.909   12.817  206.809   11.929  281.179   8.4354  275.913   8.0009 5.266388 11.62622 
1 1 1  -17    9   46 o   89.403   12.149   24.275   5.5650   14.626   8.4376   31.704   7.4035   71.307   20.686  107.499   12.745 -36.19257 24.29731 
1 1 1  -17    9   47 o  402.455   6.2389  440.521   13.543  450.308   19.850  431.999   18.523  406.553   9.0358  398.356   8.6052 8.196838 12.47774 
1 1 1  -17    9   48 o  244.676   6.0076  163.279   7.9350  156.532   11.297  169.850   11.149  239.626   8.7242  249.727   8.2616 -10.10075 12.01520 
1 1 1  -17    9   49 o  388.372   6.1652  411.262   12.916  419.132   18.903  404.371   17.690  391.757   8.9295  384.988   8.5032 6.768890 12.33049 
1 1 1  -17    9   50 o  183.405   6.6148   92.991   6.4840   82.854   9.5412  101.690   8.8385  173.814   10.159  192.996   8.4751 -19.18172 13.22960 
1 1 1  -17    9   51 o   62.931   13.922   10.395   5.4081   16.772   8.4432   5.9583   7.0423   74.960   20.330   50.902   19.026 24.05857 27.84424 
1 1 1  -17    9   52 o  145.975   7.8325   60.258   6.0261   48.500   8.9026   70.201   8.1868  132.086   12.473  159.863   9.4771 -27.77721 15.66493 
1 1 1  -17    9   53 o  249.609   5.7979  171.018   7.8029  162.715   11.224  178.786   10.855  243.595   8.5268  255.624   7.8587 -12.02946 11.59590 
1 1 1  -17    9   54 o   49.319   13.818   4.6115   5.4855   5.6444   7.8440   3.6228   7.6742   51.178   19.848   47.461   19.231 3.716465 27.63639 
1 1 1  -17    9   55 o  142.478   7.9707   55.295   6.0472   70.546   9.2831   44.052   7.9703  159.353   10.781  125.603   11.743 33.75015 15.94136 
1 1 1  -17    9   56 f  231.924   6.2063  148.168   7.7641  151.126   11.369  145.583   10.628  233.973   8.9923  229.874   8.5564 4.099030 12.41265 
1 1 1  -17    9   57 o  270.751   6.0839  202.176   8.8860  206.165   12.999  198.677   12.175  273.115   8.8081  268.386   8.3948 4.729187 12.16779 
1 1 1  -17    9   58 o   54.644   14.473   7.7208   5.7572   8.7781   8.4938   6.8223   7.8303   56.813   20.961   52.474   19.962 4.338497 28.94605 
1 1 1  -17    9   59 f  215.191   6.5817  128.402   7.6197  133.736   11.408  124.106   10.239  218.983   9.6405  211.400   8.9630 7.583511 13.16337 
1 1 1  -17    9   60 o   53.495   14.305   5.4533   6.2385   14.157   9.1688  -2.0498   8.5128   66.316   21.964   40.675   18.335 25.64108 28.61044 
1 1 1  -17    9   61 o  168.348   7.9601   80.906   7.2040   81.034   10.735   80.800   9.7172  168.002   11.824  168.693   10.660 -0.6906586 15.92021 
1 1 1  -17    9   62 o  330.954   8.7050  305.070   15.568   0.0000   0.0000  305.070   15.568  ?   ?   330.954   8.7050      ?      ? 
1 1 1  -17    9   63 o  204.538   10.262  127.218   11.195  112.432   16.402  140.113   15.318  191.228   15.873  217.849   13.012 -26.62144 20.52488 
1 1 1  -17    9   64 o   51.626   15.726   1.1550   8.5184   15.646   12.969  -9.8401   11.297   64.620   25.390   38.633   18.563 25.98654 31.45185 
1 1 1  -17    9   65 o   50.478   14.892   6.0205   6.9072   11.987   10.303   1.1496   9.3092   57.814   22.656   43.142   19.332 14.67154 29.78310 
1 1 1  -17   10    2 o  480.039   6.4956  623.043   16.847  624.440   24.031  621.692   23.626  480.565   9.2540  479.512   9.1179 1.053345 12.99129 
1 1 1  -17   10    3 o  366.632   5.5176  363.410   10.929  361.396   15.594  365.353   15.321  365.632   7.8928  367.632   7.7124 -2.000732 11.03526 
1 1 1  -17   10    4 o  517.945   6.8619  725.313   19.201  729.851   27.475  720.982   26.845  519.525   9.7868  516.365   9.6209 3.159119 13.72384 
1 1 1  -17   10    5 o  537.938   8.7482  779.591   23.669  791.892   42.182  773.938   28.595  540.894   14.432  534.983   9.8916 5.910767 17.49648 
1 1 1  -17   10    6 o  223.097   7.3711  135.221   8.8451  124.505   12.775  145.090   12.259  214.555   11.019  231.639   9.7940 -17.08432 14.74212 
1 1 1  -17   10    7 o  681.283   12.185  1256.01   44.822  1284.46   64.971  1230.18   61.914  688.614   17.461  673.952   17.001 14.66223 24.37004 
1 1 1  -17   10    8 o  360.592   6.7354  346.411   12.323  337.012   14.936  366.441   21.805  353.089   7.8284  368.094   10.963 -15.00476 13.47083 
1 1 1  -17   10    9 o  513.515   9.6075  712.992   26.659   0.0000   0.0000  712.992   26.659  ?   ?   513.515   9.6075      ?      ? 
1 1 1  -17   10   10 o  241.135   4.9348  156.605   6.4061  163.298   9.5550  151.141   8.6340  245.795   7.1940  236.474   6.7568 9.321106 9.869509 
1 1 1  -17   10   11 o  771.206   9.5592  1609.21   39.835  1609.62   56.530  1608.81   56.144  771.300   13.563  771.112   13.474 0.1882324 19.11834 
1 1 1  -17   10   12 o  857.910   10.531  1991.78   48.816  2005.26   69.683  1978.79   68.407  860.750   14.982  855.069   14.805 5.680420 21.06280 
1 1 1  -17   10   13 o  604.273   7.7756  987.530   25.389  985.270   36.046  989.755   35.765  603.584   11.052  604.962   10.941 -1.378113 15.55128 
1 1 1  -17   10   14 o  1021.56   12.380  2826.75   68.338  2828.43   96.871  2825.08   96.420  1021.86   17.544  1021.27   17.472 0.5948486 24.75971 
1 1 1  -17   10   15 o  943.847   11.498  2411.97   58.635  2432.83   83.809  2391.97   82.063  947.830   16.363  939.864   16.158 7.966736 22.99662 
1 1 1  -17   10   16 o  646.040   8.2113  1128.03   28.642  1151.30   41.504  1106.88   39.577  652.383   11.773  639.696   11.449 12.68774 16.42258 
1 1 1  -17   10   17 o  174.609   5.5912   81.850   5.2324   86.701   8.0141   78.246   6.9080  179.082   8.2816  170.135   7.5140 8.947372 11.18236 
1 1 1  -17   10   18 o  643.910   8.1898  1120.47   28.479  1090.76   39.456  1152.78   41.150  635.014   11.498  652.806   11.665 -17.79169 16.37959 
1 1 1  -17   10   19 o  682.065   8.6137  1258.53   31.746  1246.03   44.739  1271.20   45.055  678.653   12.200  685.477   12.164 -6.824768 17.22743 
1 1 1  -17   10   20 o  437.897   6.2179  517.929   14.693  528.115   21.424  508.882   20.190  441.952   8.9709  433.842   8.6122 8.109741 12.43571 
1 1 1  -17   10   21 o  527.712   7.0496  752.329   20.081  769.817   29.198  736.632   27.663  533.517   10.128  521.907   9.8087 11.61005 14.09911 
1 1 1  -17   10   22 o  327.419   5.5580  289.917   9.8269  276.766   13.862  303.203   13.933  319.949   8.0179  334.890   7.6993 -14.94086 11.11603 
1 1 1  -17   10   23 o  297.248   7.6137  238.884   12.229   0.0000   0.0000  238.884   12.229  ?   ?   297.248   7.6137      ?      ? 
1 1 1  -17   10   24 o  842.960   10.413  1924.80   47.430  1909.66   66.717  1940.28   67.441  839.612   14.705  846.308   14.747 -6.696228 20.82590 
1 1 1  -17   10   25 o  1344.27   16.167  4911.56  117.410  4853.58  164.100  4972.37  168.057  1336.19   22.728  1352.34   22.998 -16.15381 32.33317 
1 1 1  -17   10   26 o  209.702   6.4946  118.622   7.3494  125.340   10.735  112.696   10.083  215.274   9.2279  204.130   9.1413 11.14471 12.98914 
1 1 1  -17   10   27 o  548.827   7.3815  815.017   21.890  810.276   31.022  819.719   30.894  547.233   10.491  550.420   10.387 -3.187500 14.76297 
1 1 1  -17   10   28 o  503.442   7.0182  685.673   19.089  688.087   27.274  683.355   26.726  504.305   10.009  502.579   9.8410 1.725433 14.03634 
1 1 1  -17   10   29 o  350.922   6.0649  333.286   11.493  324.015   16.401  342.229   16.109  346.116   8.7695  355.728   8.3802 -9.611725 12.12977 
1 1 1  -17   10   30 o  435.997   6.5409  514.277   15.408  503.541   21.708  525.179   21.875  431.407   9.3119  440.587   9.1881 -9.179749 13.08174 
1 1 1  -17   10   31 o  597.897   7.9102  968.007   25.556  955.899   36.036  980.258   36.248  594.131   11.224  601.663   11.149 -7.531494 15.82048 
1 1 1  -17   10   32 o  125.418   9.5086   42.862   6.3825   40.863   9.5880   44.453   8.5528  122.746   14.456  128.090   12.357 -5.344597 19.01716 
1 1 1  -17   10   33 o   81.619   14.043   18.908   6.1733   15.691   8.7465   22.102   8.7144   74.784   20.857   88.453   18.811 -13.66853 28.08670 
1 1 1  -17   10   34 o  292.642   5.9571  231.799   9.4172  232.014   13.491  231.595   13.152  292.767   8.5277  292.516   8.3203 0.2515869 11.91423 
1 1 1  -17   10   35 o  130.101   9.5241   45.770   6.4365   64.759   9.6158   30.355   8.6637  154.538   11.515  105.663   15.174 48.87513 19.04823 
1 1 1  -17   10   36 o  298.253   12.409  241.441   19.999  241.441   19.999   0.0000   0.0000  298.253   12.409  ?   ?       ?      ? 
1 1 1  -17   10   38 o  194.773   9.7132  103.037   10.191  100.383   13.804  106.216   15.109  192.068   13.300  197.477   14.159 -5.408539 19.42637 
1 1 1  -17   10   39 o   97.638   12.175   28.066   5.9820   20.184   9.2618   33.708   7.8356   84.002   20.569  111.273   13.031 -27.27190 24.34933 
1 1 1  -17   10   40 o  136.615   8.5154   50.575   6.2619   57.283   9.1627   44.696   8.5776  145.107   11.685  128.123   12.389 16.98376 17.03077 
1 1 1  -17   10   41 o  186.748   6.7290   94.700   6.7858   95.834   9.8006   93.656   9.4048  187.806   9.6573  185.690   9.3729 2.116272 13.45790 
1 1 1  -17   10   42 o  150.469   7.7859   60.791   6.2863   70.033   9.5774   53.796   8.3324  160.373   11.052  140.565   10.970 19.80792 15.57172 
1 1 1  -17   10   43 o  424.148   6.3536  488.133   14.538  499.799   21.276  477.915   19.912  428.843   9.1814  419.453   8.7850 9.390320 12.70727 
1 1 1  -17   10   44 o  237.124   6.0617  152.860   7.7544  152.423   11.285  153.251   10.673  236.762   8.8207  237.487   8.3170 -0.7255402 12.12342 
1 1 1  -17   10   45 o  499.922   7.0094  681.380   18.926  683.360   27.218  679.526   26.333  500.555   10.063  499.288   9.7603 1.267517 14.01874 
1 1 1  -17   10   46 o   51.075   13.953   4.9952   5.4407   5.4238   8.1451   4.6500   7.3109   52.604   20.274   49.546   19.176 3.057896 27.90617 
1 1 1  -17   10   47 o  314.467   5.8212  268.583   9.8531  276.115   14.681  262.409   13.291  318.382   8.5332  310.553   7.9204 7.828156 11.64249 
1 1 1  -17   10   48 o  223.067   6.1419  135.872   7.3760  134.616   10.880  136.940   10.034  222.013   9.0691  224.120   8.2851 -2.107315 12.28374 
1 1 1  -17   10   49 o   65.054   14.018   12.079   5.3290   13.325   8.1781   11.159   7.0252   67.744   20.549   62.364   19.073 5.379986 28.03680 
1 1 1  -17   10   50 o  264.779   5.7861  191.481   8.2581  190.449   12.092  192.383   11.305  264.009   8.4761  265.548   7.8785 -1.539124 11.57215 
1 1 1  -17   10   51 o   59.514   14.271   9.7906   5.5263   7.8099   7.9992   11.599   7.6437   55.794   20.379   63.234   19.985 -7.439877 28.54293 
1 1 1  -17   10   52 o  185.065   6.7541   94.709   6.7104   88.004   9.8337  100.552   9.1799  178.679   10.185  191.451   8.8734 -12.77248 13.50812 
1 1 1  -17   10   53 o  283.529   5.8976  220.595   9.0303  218.498   12.960  222.574   12.590  282.136   8.5007  284.923   8.1771 -2.786682 11.79523 
1 1 1  -17   10   54 o  193.748   6.6978  102.958   6.9904  110.973   10.400   96.352   9.4414  200.536   9.5971  186.960   9.3454 13.57614 13.39554 
1 1 1  -17   10   55 o  349.660   6.0759  335.896   11.447  346.541   16.946  326.963   15.523  354.547   8.8452  344.773   8.3323 9.773621 12.15171 
1 1 1  -17   10   56 o  301.999   6.0588  249.530   9.8340  271.163   14.879  232.752   13.104  313.366   8.7871  290.632   8.3439 22.73349 12.11753 
1 1 1  -17   10   57 o   49.832   14.004   4.4123   5.7962   8.6022   8.4348   0.6636   7.9784   56.454   20.877   43.211   18.670 13.24332 28.00745 
1 1 1  -17   10   58 o   50.356   13.509   2.2631   5.8984   13.639   8.7964  -7.0309   7.9508   65.969   21.497   34.743   16.368 31.22599 27.01881 
1 1 1  -17   10   59 o  130.809   9.4057   48.531   6.5934   58.101   9.8827   40.855   8.8513  142.562   12.829  119.056   13.758 23.50648 18.81138 
1 1 1  -17   10   60 o  127.178   9.4997   47.194   6.4838   46.636   9.6981   47.644   8.7188  125.914   14.254  128.441   12.562 -2.526619 18.99931 
1 1 1  -17   10   61 o  183.784   7.9750   95.194   7.8641  103.988   12.017   88.606   10.400  190.820   11.654  176.749   10.889 14.07150 15.95005 
1 1 1  -17   10   62 o   57.168   14.913   7.5542   7.8062 -16.5225   14.265   17.846   9.3265   41.666   20.223   72.670   21.922 -31.00373 29.82555 
1 1 1  -17   10   63 o  113.081   16.701   47.130   9.7641   55.248   15.302   41.554   12.681  120.312   24.372  105.851   22.841 14.46138 33.40243 
1 1 1  -17   10   64 o   37.403   18.178 -13.1622   11.629   0.0000   0.0000 -13.1622   11.629  ?   ?    37.403   18.178      ?      ? 
1 1 1  -17   10   65 o   44.824   14.164   0.0700   7.6843   8.5428   10.017 -12.0473   11.979   52.122   21.635   37.526   18.285 14.59539 28.32727 
1 1 1  -17   11    1 o  571.819   7.4960  884.111   23.161  874.452   32.546  894.021   32.967  568.656   10.591  574.983   10.610 -6.327087 14.99198 
1 1 1  -17   11    2 o  608.047   7.8333  999.867   25.737  993.368   36.333  1006.41   36.464  606.063   11.094  610.031   11.062 -3.967896 15.66656 
1 1 1  -17   11    3 o  949.301   11.570  2439.06   59.337  2403.69   82.822  2476.36   85.053  942.245   16.266  956.358   16.458 -14.11237 23.14014 
1 1 1  -17   11    4 o  529.981   10.097  759.614   28.893  771.622   41.821  748.649   39.964  533.973   14.494  525.989   14.061 7.983643 20.19346 
1 1 1  -17   11    5 o  499.266   9.6677  673.515   26.043  690.766   38.065  658.333   35.709  505.254   13.942  493.278   13.397 11.97531 19.33531 
1 1 1  -17   11    6 o  532.504   10.094  767.347   29.039  767.117   41.471  767.568   40.675  532.417   14.415  532.591   14.133 -0.1729126 20.18758 
1 1 1  -17   11    7 o  946.555   11.550  2425.74   59.074  2429.54   83.880  2422.00   83.211  947.285   16.387  945.825   16.281 1.459961 23.09958 
1 1 1  -17   11    8 o  343.860   5.5278  319.719   10.263  316.970   14.787  322.273   14.255  342.430   7.9912  345.290   7.6399 -2.860321 11.05567 
1 1 1  -17   11    9 o  279.322   5.1963  210.915   7.8368  210.265   11.303  211.517   10.875  278.905   7.4999  279.739   7.1942 -0.8340149 10.39259 
1 1 1  -17   11   10 o  251.758   5.1643  171.346   7.0193  170.729   10.133  171.915   9.7323  251.319   7.4617  252.196   7.1415 -0.8762512 10.32851 
1 1 1  -17   11   12 o  1253.20   15.069  4259.83  102.045  4254.55  144.320  4265.11  144.306  1252.43   21.325  1253.98   21.296 -1.560303 30.13774 
1 1 1  -17   11   13 o  468.281   6.4650  592.854   16.358  583.189   23.025  602.705   23.245  464.426   9.1746  472.136   9.1111 -7.709442 12.93001 
1 1 1  -17   11   14 o  216.643   5.3584  126.991   6.2578  125.035   9.1339  128.721   8.5907  215.065   7.8596  218.220   7.2853 -3.155365 10.71672 
1 1 1  -17   11   15 f  129.749   7.0180   45.728   4.8895   43.406   7.2235   47.692   6.6425  126.687   10.552  132.810   9.2558 -6.123711 14.03608 
1 1 1  -17   11   16 o  850.318   10.478  1956.40   48.127  1923.17   67.022  1991.79   69.152  842.877   14.715  857.759   14.919 -14.88245 20.95531 
1 1 1  -17   11   17 o  939.366   11.475  2389.74   58.248  2386.68   82.468  2392.79   82.282  938.762   16.257  939.971   16.199 -1.209229 22.95032 
1 1 1  -17   11   18 f  904.952   11.104  2216.54   54.281  2176.28   75.585  2259.43   78.002  896.482   15.603  913.422   15.803 -16.93964 22.20792 
1 1 1  -17   11   19 o  1348.56   16.188  4938.02  117.954  4894.43  165.460  4983.06  168.199  1342.53   22.808  1354.58   22.979 -12.05005 32.37620 
1 1 1  -17   11   20 o  480.766   6.6968  625.141   17.396  616.306   24.649  633.907   24.553  477.378   9.5556  484.155   9.3850 -6.776886 13.39357 
1 1 1  -17   11   21 o  693.061   8.8024  1298.74   32.946  1262.58   45.638  1338.10   47.610  683.003   12.366  703.118   12.531 -20.11432 17.60483 
1 1 1  -17   11   22 o  277.416   5.7263  208.017   8.5746  209.742   12.445  206.458   11.831  278.506   8.2692  276.326   7.9236 2.180237 11.45264 
1 1 1  -17   11   23 o  777.320   9.7270  1635.04   40.837  1598.57   56.693  1674.37   58.874  768.330   13.655  786.309   13.856 -17.97900 19.45393 
1 1 1  -17   11   24 o  880.418   10.871  2099.73   51.710  2074.66   72.401  2125.85   73.881  875.063   15.311  885.774   15.436 -10.71033 21.74156 
1 1 1  -17   11   25 o  1081.52   13.150  3173.71   76.847  3147.66  107.933  3200.48  109.439  1077.03   18.546  1086.00   18.649 -8.972656 26.30059 
1 1 1  -17   11   26 o  365.614   6.1700  360.925   12.179  344.702   16.827  378.777   17.651  357.000   8.7228  374.229   8.7286 -17.22940 12.34000 
1 1 1  -17   11   27 o  920.331   11.339  2295.76   56.378  2262.32   78.712  2330.99   80.789  913.469   15.946  927.193   16.125 -13.72430 22.67807 
1 1 1  -17   11   28 o  248.037   6.4075  166.357   8.5759  167.546   12.483  165.295   11.802  248.869   9.2827  247.205   8.8347 1.663452 12.81491 
1 1 1  -17   11   29 o  451.044   6.6932  550.419   16.311  537.373   22.933  563.775   23.204  445.632   9.5234  456.457   9.4076 -10.82462 13.38649 
1 1 1  -17   11   30 o  312.410   6.0457  264.430   10.185  257.164   14.766  271.024   14.067  308.295   8.8635  316.525   8.2245 -8.230164 12.09149 
1 1 1  -17   11   31 o  557.213   7.5451  840.763   22.715  834.687   32.340  846.678   31.911  555.214   10.779  559.213   10.560 -3.998291 15.09030 
1 1 1  -17   11   32 o  467.971   6.7595  592.977   17.090  589.351   24.373  596.485   23.969  466.552   9.6676  469.389   9.4500 -2.837585 13.51902 
1 1 1  -17   11   33 o  104.799   11.422   30.201   6.2698   35.760   9.1462   25.272   8.6115  114.721   14.754   94.876   17.440 19.84518 22.84349 
1 1 1  -17   11   34 o  262.707   6.3186  186.882   8.9307  186.818   13.261  186.934   12.081  262.639   9.3440  262.775   8.5081 -0.1351013 12.63714 
1 1 1  -17   11   37 o  225.314   9.5762  138.094   11.648  136.329   16.076  140.045   16.899  223.830   13.292  226.798   13.789 -2.968811 19.15242 
1 1 1  -17   11   38 o  195.511   6.9936  102.785   7.3463  112.509   11.142   95.306   9.7712  203.597   10.127  187.426   9.6478 16.17081 13.98721 
1 1 1  -17   11   39 o  234.755   6.1008  149.584   7.7213  147.460   11.264  151.466   10.605  233.150   8.9409  236.361   8.3030 -3.211517 12.20163 
1 1 1  -17   11   40 o  122.850   9.7529   43.437   6.1217   32.138   9.5106   51.431   7.9991  108.208   16.265  137.492   10.767 -29.28391 19.50573 
1 1 1  -17   11   41 o  340.210   5.9758  313.043   10.949  327.033   16.292  301.523   14.785  347.072   8.6872  333.347   8.2080 13.72528 11.95150 
1 1 1  -17   11   42 o  532.291   7.2976  770.792   20.977  779.398   30.282  762.853   29.086  535.089   10.473  529.493   10.166 5.595581 14.59521 
1 1 1  -17   11   43 o  181.427   7.0492   89.132   6.8569   93.610   10.469   85.768   9.0739  185.323   10.454  177.531   9.4587 7.791565 14.09835 
1 1 1  -17   11   44 o  320.477   5.9195  279.305   10.237  278.923   14.866  279.649   14.118  320.214   8.5913  320.740   8.1457 -0.5256042 11.83899 
1 1 1  -17   11   45 o   81.792   12.664   19.925   5.8992   7.4285   8.5283   31.390   8.1687   56.851   20.998  106.733   14.163 -49.88248 25.32847 
1 1 1  -17   11   46 o  164.783   7.2243   74.206   6.4081   74.119   9.4806   74.279   8.6952  164.611   10.658  164.954   9.7551 -0.3424835 14.44852 
1 1 1  -17   11   47 o  188.871   6.7296   96.986   6.8249  101.943   10.345   93.165   9.0818  193.029   9.9179  184.713   9.0988 8.315475 13.45929 
1 1 1  -17   11   48 o  134.427   8.4088   49.729   6.0875   50.513   9.0155   49.073   8.2529  135.301   12.331  133.554   11.436 1.746933 16.81756 
1 1 1  -17   11   49 o   41.777   12.592  -2.9394   5.3732   5.5872   8.2080  -9.3335   7.1079   52.451   20.313   31.103   14.886 21.34737 25.18404 
1 1 1  -17   11   50 o  192.618   6.5676  101.925   6.8167   99.486   9.9482  104.084   9.3594  190.319   9.6732  194.916   8.8861 -4.597153 13.13522 
1 1 1  -17   11   51 o  188.513   6.7031   98.021   6.7765   94.331   10.113  101.027   9.1292  185.063   10.113  191.963   8.8009 -6.899780 13.40612 
1 1 1  -17   11   52 o  316.391   6.0016  274.836   10.251  270.229   14.751  279.138   14.254  313.701   8.7021  319.081   8.2673 -5.379578 12.00313 
1 1 1  -17   11   53 o  150.736   7.7053   62.164   6.2313   71.149   9.5182   55.425   8.2434  160.098   11.002  141.375   10.791 18.72260 15.41057 
1 1 1  -17   11   54 o  110.562   10.012   34.354   5.9514   39.112   8.9207   30.538   7.9892  117.430   14.058  103.693   14.258 13.73713 20.02335 
1 1 1  -17   11   55 o  115.553   9.9814   37.612   6.1949   42.695   9.3945   33.702   8.2402  122.338   14.211  108.768   14.020 13.56927 19.96282 
1 1 1  -17   11   56 o   86.967   13.448   23.194   6.1274   25.148   9.0990   21.571   8.2885   90.261   19.243   83.672   18.791 6.589279 26.89656 
1 1 1  -17   11   57 o  115.679   10.035   38.035   6.2354   44.259   9.2840   32.920   8.4161  124.400   13.811  106.958   14.562 17.44198 20.06946 
1 1 1  -17   11   58 o   70.427   14.967   15.838   6.1784   18.345   9.0197   13.622   8.4804   75.269   21.247   65.585   21.085 9.683662 29.93315 
1 1 1  -17   11   59 o  119.214   10.183   40.698   6.4783   47.174   10.192   36.307   8.3916  126.699   14.886  111.730   13.899 14.96897 20.36648 
1 1 1  -17   11   60 o   80.610   14.492   20.617   6.3868   28.989   9.9781   14.807   8.3127   94.299   20.191   66.920   20.795 27.37958 28.98418 
1 1 1  -17   11   61 o  119.124   23.975   48.086   14.898   48.086   14.898   0.0000   0.0000  119.124   23.975  ?   ?       ?      ? 
1 1 1  -17   11   62 o  171.721   12.109   94.501   11.025   86.329   16.636  100.901   14.722  162.075   18.995  181.367   15.022 -19.29160 24.21719 
1 1 1  -17   11   63 o   61.252   17.393   11.861   8.8949   19.054   13.478   6.3108   11.840   69.462   26.246   53.042   22.831 16.41978 34.78670 
1 1 1  -17   11   64 o   56.147   16.224   9.6440   7.7448   4.8785   9.9383   17.014   12.359   47.934   20.774   64.361   24.926 -16.42730 32.44811 
1 1 1  -17   12    1 o  502.602   6.8253  682.264   18.525  660.194   25.664  706.275   26.769  494.127   9.6115  511.078   9.6931 -16.95059 13.65054 
1 1 1  -17   12    2 o  309.838   11.957  259.685   20.019  259.685   20.019   0.0000   0.0000  309.838   11.957  ?   ?       ?      ? 
1 1 1  -17   12    3 o  912.223   15.910  2257.88   78.422  2259.01  111.298  2256.76  110.517  912.437   22.573  912.008   22.426 0.4296265 31.81919 
1 1 1  -17   12    4 o  164.864   9.6514   73.345   8.5080   74.955   13.074   72.162   11.205  166.412   14.539  163.317   12.697 3.095184 19.30278 
1 1 1  -17   12    5 o  947.112   23.226  2434.69  118.867   0.0000   0.0000  2434.69  118.867  ?   ?   947.112   23.226      ?      ? 
1 1 1  -17   12    6 o  235.296   5.5034  149.451   6.9782  152.420   10.299  146.930   9.4884  237.451   8.0265  233.142   7.5315 4.308365 11.00674 
1 1 1  -17   12    7 o  633.319   8.1631  1084.92   27.934  1085.35   39.766  1084.50   39.248  633.439   11.618  633.199   11.471 0.2394409 16.32623 
1 1 1  -17   12    8 o  698.984   8.8445  1321.83   33.406  1313.91   47.165  1329.81   47.322  696.880   12.525  701.087   12.491 -4.206726 17.68905 
1 1 1  -17   12    9 o  1131.45   13.711  3468.69   83.804  3411.99  116.792  3528.87  120.321  1121.95   19.264  1140.96   19.516 -19.00671 27.42220 
1 1 1  -17   12   10 o  670.985   8.5703  1218.00   31.073  1215.71   44.085  1220.26   43.804  670.355   12.170  671.615   12.070 -1.259583 17.14051 
1 1 1  -17   12   11 o  864.328   10.644  2022.37   49.711  2029.52   70.748  2015.39   69.863  865.830   15.122  862.826   14.984 3.004028 21.28825 
1 1 1  -17   12   12 o  851.766   10.499  1963.95   48.323  1969.73   68.695  1958.28   67.988  853.002   14.904  850.530   14.793 2.471313 20.99867 
1 1 1  -17   12   13 o  560.387   7.4412  848.923   22.528  829.677   31.472  869.145   32.261  553.877   10.515  566.897   10.531 -13.02032 14.88242 
1 1 1  -17   12   14 o  272.259   5.5853  199.741   8.1928  208.382   12.154  192.546   11.091  277.634   8.1016  266.884   7.6908 10.74997 11.17068 
1 1 1  -17   12   15 o  986.255   12.030  2634.79   64.107  2612.58   90.125  2657.53   91.208  982.054   16.983  990.457   17.042 -8.402405 24.05913 
1 1 1  -17   12   16 o  479.180   6.6900  620.756   17.321  609.336   24.285  632.580   24.711  474.695   9.4674  483.664   9.4549 -8.969666 13.38009 
1 1 1  -17   12   17 o  386.375   5.9783  403.824   12.473  397.720   17.894  409.594   17.396  383.528   8.6341  389.223   8.2711 -5.694946 11.95656 
1 1 1  -17   12   18 o  797.561   9.9318  1722.30   42.803  1716.84   60.568  1727.74   60.499  796.296   14.076  798.826   14.015 -2.530396 19.86363 
1 1 1  -17   12   19 o  706.349   8.9512  1349.74   34.154  1320.46   47.565  1380.91   49.073  698.450   12.603  714.247   12.715 -15.79675 17.90231 
1 1 1  -17   12   20 o  783.314   13.810  1661.62   58.454   0.0000   0.0000  1661.62   58.454  ?   ?   783.314   13.810      ?      ? 
1 1 1  -17   12   21 o  675.112   8.6579  1232.92   31.574  1205.15   43.958  1262.51   45.380  667.269   12.191  682.955   12.297 -15.68604 17.31582 
1 1 1  -17   12   22 o  1296.29   15.634  4563.71  109.463  4481.20  152.072  4652.41  157.688  1284.20   21.914  1308.37   22.304 -24.16895 31.26811 
1 1 1  -17   12   23 o  579.515   7.7378  908.416   24.221  918.677   34.840  898.818   33.695  582.672   11.065  576.359   10.819 6.312988 15.47559 
1 1 1  -17   12   24 o  637.991   8.3208  1101.75   28.682  1103.08   40.931  1100.47   40.203  638.359   11.866  637.622   11.668 0.7370605 16.64167 
1 1 1  -17   12   25 o   61.422   13.683   8.3576   6.0695  -3.0081   9.0544   17.632   8.1793   43.824   19.385   79.019   19.318 -35.19561 27.36682 
1 1 1  -17   12   26 o  406.386   6.4145  446.496   14.074  451.848   20.377  441.612   19.463  408.706   9.2264  404.066   8.9139 4.639984 12.82903 
1 1 1  -17   12   27 o  346.233   8.6095  324.264   16.108   0.0000   0.0000  324.264   16.108  ?   ?   346.233   8.6095      ?      ? 
1 1 1  -17   12   28 o  305.564   6.1350  252.673   10.126  245.422   14.335  259.895   14.307  301.181   8.8080  309.947   8.5423 -8.766052 12.26995 
1 1 1  -17   12   29 o  383.617   6.3671  398.332   13.194  388.922   18.748  407.565   18.570  379.117   9.1517  388.116   8.8546 -8.998627 12.73411 
1 1 1  -17   12   30 o  266.434   6.4223  192.295   9.2371  186.051   13.213  198.264   12.918  262.188   9.3263  270.681   8.8319 -8.492920 12.84458 
1 1 1  -17   12   31 o  404.075   6.3824  442.183   13.930  433.264   19.843  450.850   19.561  400.043   9.1795  408.108   8.8701 -8.065216 12.76487 
1 1 1  -17   12   32 o  263.943   6.2359  186.819   8.8398  204.732   13.438  173.155   11.737  274.977   9.0440  252.910   8.5879 22.06677 12.47184 
1 1 1  -17   12   33 o  139.290   11.295   54.178   7.8318   49.122   13.785   56.588   9.5169  134.159   19.015  144.420   12.195 -10.26181 22.58958 
1 1 1  -17   12   36 o  266.416   9.0383  191.706   12.946  206.194   19.535  180.360   17.288  275.279   13.133  257.553   12.422 17.72565 18.07658 
1 1 1  -17   12   37 o  616.969   8.1379  1034.70   27.129  1026.55   38.502  1042.74   38.231  614.529   11.595  619.410   11.422 -4.881226 16.27581 
1 1 1  -17   12   38 o  492.590   7.0025  658.071   18.628  632.387   25.834  685.885   26.885  482.590   9.9067  502.590   9.8993 -20.00015 14.00497 
1 1 1  -17   12   39 o  488.670   6.9484  648.262   18.322  661.577   26.735  636.470   25.160  493.337   10.029  484.002   9.6199 9.334900 13.89678 
1 1 1  -17   12   40 f  342.496   6.0196  317.285   11.095  330.283   16.582  306.748   14.930  348.771   8.7986  336.221   8.2176 12.54968 12.03925 
1 1 1  -17   12   41 o  319.857   5.9360  278.044   10.238  272.874   14.893  282.676   14.098  316.979   8.6947  322.735   8.0837 -5.755920 11.87202 
1 1 1  -17   12   42 o  326.547   6.0199  290.313   10.602  277.895   15.256  301.910   14.743  319.710   8.8308  333.384   8.1838 -13.67435 12.03986 
1 1 1  -17   12   43 o  228.333   6.3388  142.067   7.8072  138.679   11.300  145.160   10.799  225.669   9.2666  230.998   8.6515 -5.328995 12.67752 
1 1 1  -17   12   44 o  332.892   5.9442  301.591   10.679  299.385   15.460  303.604   14.770  331.666   8.6261  334.117   8.1806 -2.450623 11.88831 
1 1 1  -17   12   45 o   54.965   14.242   7.1047   5.5069   6.3320   8.4519   7.6747   7.2592   54.673   20.754   55.258   19.509 -0.5858612 28.48321 
1 1 1  -17   12   46 o  115.819   9.7709   37.385   6.0598   34.571   8.9715   39.746   8.2178  111.563   14.882  120.075   12.665 -8.511787 19.54170 
1 1 1  -17   12   47 o  246.975   6.0646  166.912   8.0620  160.838   11.805  172.220   11.036  242.626   9.0043  251.323   8.1265 -8.697403 12.12918 
1 1 1  -17   12   48 o  350.736   6.0860  335.472   11.520  313.269   15.956  359.650   16.650  338.582   8.7211  362.889   8.4911 -24.30655 12.17192 
1 1 1  -17   12   49 o  188.453   6.8611   98.107   6.9402   90.428   10.148  104.856   9.5128  181.270   10.360  195.635   8.9986 -14.36475 13.72227 
1 1 1  -17   12   50 o  269.395   6.0526  198.975   8.7719  196.573   12.986  200.991   11.896  267.716   8.9767  271.074   8.1213 -3.358673 12.10526 
1 1 1  -17   12   51 o  209.078   6.5770  120.240   7.3999  120.480   10.976  120.040   10.019  209.100   9.7144  209.057   8.8690 0.4298401E-01 13.15402 
1 1 1  -17   12   52 o  100.191   11.037   28.151   5.9259   32.398   9.1179   25.046   7.7972  106.553   15.836   93.829   15.379 12.72452 22.07425 
1 1 1  -17   12   53 o   90.502   12.994   24.242   6.1028   28.669   9.3227   20.922   8.0730   97.810   18.312   83.195   18.442 14.61457 25.98895 
1 1 1  -17   12   54 o  101.429   11.521   28.512   5.8951   45.009   9.4793   18.108   7.5279  125.804   13.944   77.054   18.344 48.75056 23.04208 
1 1 1  -17   12   55 o  112.787   10.369   37.266   6.1301   32.810   9.5165   40.426   8.0143  105.946   16.623  119.628   12.398 -13.68198 20.73715 
1 1 1  -17   12   56 o   73.734   14.728   16.814   6.1639   21.050   9.2359   13.412   8.2770   81.621   20.862   65.848   20.795 15.77327 29.45538 
1 1 1  -17   12   57 o   88.713   12.959   24.623   6.0782   19.344   8.9481   29.145   8.2822   77.540   20.887   99.887   15.344 -22.34654 25.91781 
1 1 1  -17   12   58 o   69.654   14.966   15.801   6.1606   14.015   9.3012   17.196   8.2228   66.149   22.129   73.159   20.156 -7.010208 29.93243 
1 1 1  -17   12   59 o   51.527   13.738   4.9969   6.2254  -6.5908   9.4275   13.957   8.2898   38.078   17.903   64.976   20.842 -26.89835 27.47557 
1 1 1  -17   12   60 o  138.851   10.091   54.690   7.3694   75.464   11.449   39.995   9.6294  161.516   13.118  116.186   15.338 45.33059 20.18214 
1 1 1  -17   12   61 o   74.150   16.396   18.603   9.6610  -5.9775   15.311   34.865   12.453   48.666   22.860   99.635   23.510 -50.96885 32.79183 
1 1 1  -17   12   62 o   60.895   16.328   10.594   9.1153  -8.0878   13.827   24.955   12.123   43.371   20.759   78.419   25.209 -35.04784 32.65602 
1 1 1  -17   12   63 o  120.814   14.718   54.195   8.5827   67.332   11.090   34.572   13.553  149.118   13.763   92.511   26.021 56.60681 29.43624 
1 1 1  -17   13    1 o  214.622   9.1786  124.271   10.539  127.185   16.165  122.117   13.898  216.783   13.800  212.461   12.106 4.321732 18.35721 
1 1 1  -17   13    2 o  891.143   15.633  2154.77   75.273  2160.58  107.091  2149.10  105.825  892.313   22.210  889.973   22.005 2.339905 31.26511 
1 1 1  -17   13    3 o  482.221   13.485  629.279   35.138   0.0000   0.0000  629.279   35.138  ?   ?   482.221   13.485      ?      ? 
1 1 1  -17   13    4 o  492.532   9.6412  655.967   25.660   0.0000   0.0000  655.967   25.660  ?   ?   492.532   9.6412      ?      ? 
1 1 1  -17   13    5 o  549.873   7.3621  817.245   21.869  797.997   30.484  837.656   31.390  543.207   10.385  556.539   10.438 -13.33197 14.72419 
1 1 1  -17   13    6 o  691.626   8.7851  1293.98   32.830  1280.00   46.062  1308.42   46.803  687.832   12.393  695.420   12.455 -7.588684 17.57015 
1 1 1  -17   13    9 o  596.853   7.8168  960.631   25.162  918.779   34.309  1009.34   37.014  582.838   10.894  610.869   11.213 -28.03119 15.63358 
1 1 1  -17   13   10 o  547.600   10.326  810.961   30.555   0.0000   0.0000  810.961   30.555  ?   ?   547.600   10.326      ?      ? 
1 1 1  -17   13   11 o  230.167   5.8901  142.584   7.3070  152.271   10.818  134.455   9.9093  237.323   8.4354  223.011   8.2230 14.31221 11.78021 
1 1 1  -17   13   12 o  195.602   6.1553  103.864   6.4791   96.900   9.3847  110.205   8.9559  189.305   9.1742  201.899   8.2089 -12.59438 12.31067 
1 1 1  -17   13   13 o  745.385   9.4030  1503.73   37.872  1499.26   53.686  1508.16   53.435  744.277   13.349  746.492   13.247 -2.215088 18.80591 
1 1 1  -17   13   14 o  502.427   6.9978  682.794   18.996  674.499   26.965  690.967   26.765  499.392   9.9926  505.461   9.7993 -6.069397 13.99564 
1 1 1  -17   13   15 o  594.939   7.8307  957.611   25.173  952.763   35.707  962.402   35.495  593.437   11.135  596.440   11.013 -3.002991 15.66139 
1 1 1  -17   13   16 o  649.188   8.3971  1140.11   29.452  1115.70   41.216  1165.58   42.100  642.089   11.879  656.288   11.871 -14.19952 16.79416 
1 1 1  -17   13   17 o  749.206   9.4471  1519.76   38.246  1508.41   53.913  1531.25   54.263  746.390   13.367  752.021   13.353 -5.630981 18.89428 
1 1 1  -17   13   18 o  300.459   5.8584  244.531   9.4949  233.662   13.626  254.792   13.238  293.948   8.5782  306.970   7.9809 -13.02194 11.71672 
1 1 1  -17   13   19 o  311.898   5.9023  263.168   9.9414  259.307   14.252  266.827   13.874  309.664   8.5169  314.132   8.1737 -4.468506 11.80453 
1 1 1  -17   13   20 o  409.225   6.3952  452.868   14.130  453.762   20.409  452.046   19.583  409.605   9.2209  408.845   8.8639 0.7596436 12.79038 
1 1 1  -17   13   21 o  514.920   7.1895  717.242   20.003  704.076   28.164  730.643   28.414  510.149   10.217  519.691   10.118 -9.541840 14.37899 
1 1 1  -17   13   22 o  517.384   7.2217  724.311   20.189  715.679   28.596  732.888   28.506  514.305   10.290  520.463   10.136 -6.157593 14.44348 
1 1 1  -17   13   23 o  174.668   7.8087   81.975   7.3431   91.583   10.911   74.019   9.9280  183.958   10.976  165.377   11.110 18.58151 15.61742 
1 1 1  -17   13   24 o  519.508   7.2593  729.615   20.370  706.171   28.321  754.739   29.319  510.871   10.259  528.145   10.273 -17.27466 14.51861 
1 1 1  -17   13   25 o  151.321   8.4786   62.669   6.8156   57.911   10.419   66.228   9.0108  146.212   13.188  156.431   10.660 -10.21909 16.95717 
1 1 1  -17   13   26 o  234.965   6.6808  150.104   8.4413  139.111   12.249  160.048   11.649  226.711   9.9986  243.219   8.8635 -16.50838 13.36166 
1 1 1  -17   13   27 o  548.558   7.5183  814.652   22.285  802.320   31.406  827.157   31.625  544.372   10.677  552.743   10.588 -8.370972 15.03664 
1 1 1  -17   13   28 o  474.808   6.9268  610.103   17.767  590.029   24.961  630.717   25.295  466.884   9.8939  482.731   9.6970 -15.84705 13.85351 
1 1 1  -17   13   29 o  797.778   10.042  1727.31   43.288  1720.30   61.308  1734.27   61.128  796.152   14.251  799.403   14.151 -3.250366 20.08316 
1 1 1  -17   13   30 o  515.572   7.2550  720.220   20.210  711.944   28.710  728.349   28.453  512.622   10.364  518.523   10.155 -5.901184 14.51008 
1 1 1  -17   13   31 o  424.489   6.5599  488.145   15.041  480.714   21.478  495.297   21.070  421.301   9.4342  427.677   9.1172 -6.376190 13.11977 
1 1 1  -17   13   32 o  301.182   9.0537  246.644   14.694  240.315   21.437  252.252   20.180  297.472   13.336  304.893   12.249 -7.420654 18.10740 
1 1 1  -17   13   35 o  322.685   7.7553  275.913   12.444  300.225   22.996  265.845   14.798  332.197   12.811  313.174   8.7444 19.02301 15.51053 
1 1 1  -17   13   36 o  446.522   6.6892  540.903   16.137  525.888   22.716  556.199   22.927  440.250   9.5486  452.795   9.3706 -12.54495 13.37846 
1 1 1  -17   13   37 o  354.175   6.1835  340.382   11.811  338.716   17.228  341.859   16.224  353.311   9.0236  355.039   8.4566 -1.727753 12.36692 
1 1 1  -17   13   38 o  222.306   6.4706  134.187   7.7067  134.440   11.690  133.992   10.250  222.417   9.7264  222.194   8.5367 0.2226257 12.94127 
1 1 1  -17   13   39 o  225.326   6.4581  137.658   7.8246  140.383   11.709  135.460   10.518  227.283   9.5337  223.369   8.7142 3.913712 12.91618 
1 1 1  -17   13   40 o   61.276   14.359   9.9655   5.7833   4.7543   9.1176   13.474   7.4808   53.798   21.240   68.754   19.329 -14.95644 28.71892 
1 1 1  -17   13   41 o   82.432   12.741   18.069   6.0184   33.499   9.2223   6.6232   7.9429  110.279   15.476   54.586   20.244 55.69325 25.48215 
1 1 1  -17   13   42 o  243.952   6.1405  161.984   8.0386  161.289   12.085  162.536   10.766  243.380   9.1891  244.523   8.1477 -1.142075 12.28109 
1 1 1  -17   13   43 o  217.201   6.4928  128.632   7.5993  126.985   11.131  130.069   10.400  215.826   9.5442  218.575   8.8055 -2.749420 12.98567 
1 1 1  -17   13   44 o  211.873   6.6064  123.213   7.5105  113.464   11.002  131.723   10.278  203.832   9.9884  219.914   8.6492 -16.08221 13.21280 
1 1 1  -17   13   45 o  134.781   8.9064   52.343   6.1835   38.319   9.3422   63.276   8.2491  117.493   14.715  152.069   10.039 -34.57636 17.81288 
1 1 1  -17   13   46 o  229.134   6.2561  143.869   7.6671  139.817   11.612  147.002   10.209  226.074   9.5051  232.194   8.1367 -6.119492 12.51215 
1 1 1  -17   13   47 o  231.756   6.3160  147.229   7.8824  141.220   11.488  152.575   10.836  227.142   9.3592  236.370   8.4837 -9.227768 12.63202 
1 1 1  -17   13   48 o  284.997   6.0710  222.204   9.2986  222.371   13.892  222.068   12.515  284.909   9.0236  285.086   8.1243 -0.1767883 12.14206 
1 1 1  -17   13   49 o   68.166   14.315   13.920   5.7972   10.066   8.6461   17.067   7.8137   60.802   21.305   75.530   19.125 -14.72755 28.63008 
1 1 1  -17   13   50 o   95.651   12.129   27.321   5.9686   22.257   9.0082   31.284   7.9689   85.814   19.825  105.488   13.980 -19.67380 24.25866 
1 1 1  -17   13   51 o   84.260   12.919   20.623   5.8922   29.176   8.8187   13.725   7.9193  101.018   16.155   67.503   20.164 33.51476 25.83797 
1 1 1  -17   13   52 o   89.768   12.761   24.137   5.9525   24.287   8.8549   24.013   8.0401   89.641   18.877   89.895   17.178 -0.2537613 25.52281 
1 1 1  -17   13   53 o   95.020   12.273   26.791   6.1386   25.496   8.9838   27.925   8.4075   91.600   18.781   98.440   15.805 -6.840179 24.54630 
1 1 1  -17   13   54 o  227.122   6.6365  142.159   8.0726  148.906   12.375  137.161   10.651  231.469   9.8941  222.776   8.8475 8.693176 13.27292 
1 1 1  -17   13   55 o   83.022   21.301   21.868   9.6035   21.868   9.6035   0.0000   0.0000   83.022   21.301  ?   ?       ?      ? 
1 1 1  -17   13   56 o  141.476   9.2132   58.184   6.8961   48.874   10.219   65.970   9.3448  129.946   14.553  153.006   11.302 -23.05963 18.42635 
1 1 1  -17   13   57 o  124.937   10.304   47.115   6.6170   36.853   10.248   54.452   8.6654  111.173   17.059  138.701   11.562 -27.52839 20.60773 
1 1 1  -17   13   58 o   48.897   13.472   3.2924   6.2130 -10.3273   9.9027   12.134   7.9787   36.480   17.489   61.313   20.495 -24.83280 26.94304 
1 1 1  -17   13   59 o   32.856   15.936 -12.1110   8.8195   0.0000   0.0000 -12.1110   8.8195  ?   ?    32.856   15.936      ?      ? 
1 1 1  -17   13   60 f   53.237   16.523   3.2248   9.1397   0.6450   14.022   5.1306   12.052   52.377   23.578   54.097   23.154 -1.719784 33.04550 
1 1 1  -17   13   61 o   62.687   17.913   15.008   9.2763   19.113   14.403   12.099   12.126   66.898   26.606   58.477   23.991 8.421295 35.82528 
1 1 1  -17   13   62 o   60.882   13.712   5.2298   6.8595   28.196   10.635 -11.1308   8.9762   88.680   22.235   33.085   16.054 55.59496 27.42471 
1 1 1  -17   13   63 o   50.969   15.617  -0.9319   8.2738 -12.8440   10.287   20.894   13.924   34.078   16.678   67.860   26.409 -33.78270 31.23417 
1 1 1  -17   14    1 o  462.560   13.421  579.054   33.545   0.0000   0.0000  579.054   33.545  ?   ?   462.560   13.421      ?      ? 
1 1 1  -17   14    2 o  431.544   8.9123  503.532   20.783   0.0000   0.0000  503.532   20.783  ?   ?   431.544   8.9123      ?      ? 
1 1 1  -17   14    3 o   56.679   13.267   7.9430   4.9344   4.0600   7.1300   11.512   6.8358   48.866   18.931   64.493   18.594 -15.62730 26.53462 
1 1 1  -17   14    4 o  381.408   8.5253  393.308   17.571   0.0000   0.0000  393.308   17.571  ?   ?   381.408   8.5253      ?      ? 
1 1 1  -17   14    6 o  660.220   8.5528  1179.29   30.512  1165.96   43.002  1192.80   43.300  656.463   12.123  663.977   12.068 -7.514893 17.10558 
1 1 1  -17   14    8 f  490.781   6.9096  651.481   18.322  644.979   26.057  657.839   25.767  488.354   9.8741  493.208   9.6682 -4.854614 13.81926 
1 1 1  -17   14   10 o  458.949   6.6438  569.616   16.471  569.905   23.599  569.342   23.001  459.058   9.5133  458.841   9.2768 0.2163391 13.28762 
1 1 1  -17   14   11 o  461.970   9.3414  577.160   23.319   0.0000   0.0000  577.160   23.319  ?   ?   461.970   9.3414      ?      ? 
1 1 1  -17   14   12 o  793.057   9.9293  1701.78   42.530  1662.85   59.033  1743.80   61.326  783.645   13.941  802.469   14.143 -18.82361 19.85853 
1 1 1  -17   14   13 o  565.036   7.5845  863.622   23.149  869.301   33.223  858.262   32.274  566.833   10.847  563.239   10.604 3.593384 15.16891 
1 1 1  -17   14   14 o  185.165   6.7812   92.779   6.7474   80.304   9.3957  106.065   9.6961  172.294   10.092  198.035   9.0608 -25.74054 13.56250 
1 1 1  -17   14   15 o  837.858   10.454  1900.46   47.308  1859.77   65.727  1944.19   68.147  828.575   14.680  847.141   14.887 -18.56635 20.90739 
1 1 1  -17   14   16 o  491.129   6.9857  652.461   18.536  636.547   26.133  668.573   26.296  485.097   9.9695  497.161   9.7883 -12.06421 13.97143 
1 1 1  -17   14   17 o  502.948   7.1333  684.416   19.382  670.724   27.488  697.956   27.334  497.936   10.216  507.960   9.9584 -10.02362 14.26655 
1 1 1  -17   14   18 o  238.822   6.4799  154.266   8.3433  154.178   12.217  154.342   11.421  238.751   9.4700  238.894   8.8475 -0.1431122 12.95988 
1 1 1  -17   14   19 o  598.473   7.9762  969.092   25.791  949.841   36.168  989.010   36.789  592.426   11.298  604.520   11.262 -12.09467 15.95230 
1 1 1  -17   14   20 o  272.322   8.6858  200.572   12.781   0.0000   0.0000  200.572   12.781  ?   ?   272.322   8.6858      ?      ? 
1 1 1  -17   14   21 o  350.367   6.3005  332.038   11.924  319.835   16.791  344.452   16.936  343.868   9.0362  356.867   8.7825 -12.99896 12.60100 
1 1 1  -17   14   22 o  641.618   8.4288  1112.92   29.200  1075.66   40.330  1153.97   42.334  630.356   11.840  652.880   12.000 -22.52380 16.85752 
1 1 1  -17   14   23 o  596.812   7.9864  964.143   25.755  951.533   36.228  977.027   36.620  592.866   11.308  600.758   11.281 -7.892395 15.97281 
1 1 1  -17   14   24 o  817.499   10.269  1812.29   45.359  1814.63   64.559  1810.00   63.742  818.005   14.605  816.994   14.438 1.010559 20.53740 
1 1 1  -17   14   25 o  228.051   6.8715  140.526   8.4579  145.315   12.329  136.268   11.625  231.710   9.8468  224.392   9.5870 7.318222 13.74301 
1 1 1  -17   14   26 o  585.802   11.057  929.275   35.001   0.0000   0.0000  929.275   35.001  ?   ?   585.802   11.057      ?      ? 
1 1 1  -17   14   27 o  179.742   7.8048   87.214   7.5566   91.133   11.230   83.972   10.215  183.407   11.331  176.078   10.736 7.329254 15.60962 
1 1 1  -17   14   28 o  193.760   7.5208  102.462   7.8168   92.202   11.354  111.705   10.777  184.432   11.393  203.088   9.8207 -18.65567 15.04154 
1 1 1  -17   14   29 o  339.887   6.2781  312.899   11.506  310.839   16.797  314.721   15.794  338.808   9.1746  340.965   8.5724 -2.157318 12.55627 
1 1 1  -17   14   30 o  223.169   8.3767  133.110   9.7383  127.955   12.136  142.432   16.319  217.294   10.336  229.043   13.185 -11.74892 16.75336 
1 1 1  -17   14   31 o  537.451   15.299  786.036   44.430   0.0000   0.0000  786.036   44.430  ?   ?   537.451   15.299      ?      ? 
1 1 1  -17   14   34 o   84.141   14.122   19.834   6.3116   24.203   9.6048   16.513   8.3733   92.140   19.875   76.141   20.068 15.99898 28.24415 
1 1 1  -17   14   35 f  422.543   6.5493  484.290   14.926  486.162   21.807  482.640   20.472  423.259   9.5347  421.828   8.9812 1.431641 13.09859 
1 1 1  -17   14   36 o  319.178   6.1182  275.417   10.493  285.340   15.809  267.603   14.029  324.240   9.0232  314.115   8.2650 10.12488 12.23633 
1 1 1  -17   14   37 o   67.882   14.883   12.936   6.0755   9.9883   9.5061   14.971   7.8993   63.405   22.331   72.360   19.681 -8.954697 29.76617 
1 1 1  -17   14   38 o  244.499   6.4897  162.745   8.4860  159.863   12.900  164.944   11.267  242.487   9.8446  246.511   8.4586 -4.024017 12.97941 
1 1 1  -17   14   39 o  420.602   6.5132  480.357   14.766  488.400   21.741  473.469   20.118  423.787   9.4937  417.417   8.9194 6.369659 13.02636 
1 1 1  -17   14   40 o   65.963   12.997   8.2081   5.8956   24.726   9.2788  -2.9755   7.6349   92.649   19.166   39.277   17.561 53.37113 25.99443 
1 1 1  -17   14   41 o  121.608   9.7852   40.392   6.3409   42.334   9.9166   39.048   8.2473  123.908   14.811  119.308   12.792 4.600243 19.57042 
1 1 1  -17   14   42 f   80.895   13.668   18.672   5.8339   21.626   9.0943   16.607   7.6048   86.151   19.931   75.639   18.710 10.51231 27.33680 
1 1 1  -17   14   43 o  178.007   7.2992   87.134   6.9356   82.928   10.517   90.371   9.2258  174.003   11.186  182.011   9.3803 -8.008072 14.59835 
1 1 1  -17   14   44 o  203.025   8.5782  112.418   9.4109   0.0000   0.0000  112.418   9.4109  ?   ?   203.025   8.5782      ?      ? 
1 1 1  -17   14   45 o  154.172   8.1057   67.005   6.4927   58.718   10.349   72.383   8.3375  145.680   13.147  162.663   9.4855 -16.98302 16.21145 
1 1 1  -17   14   46 o   64.732   14.407   11.922   5.9702   5.8981   8.9909   16.674   7.9848   54.404   21.207   75.060   19.507 -20.65593 28.81473 
1 1 1  -17   14   47 o  208.033   6.7800  118.376   7.5779  122.399   11.420  115.210   10.130  211.034   10.014  205.032   9.1428 6.001785 13.56006 
1 1 1  -17   14   48 o  131.013   9.4285   50.391   6.3006   37.340   9.7849   59.635   8.2351  114.927   15.756  147.100   10.360 -32.17301 18.85700 
1 1 1  -17   14   49 o  237.438   6.2894  155.170   8.0086  151.718   12.011  157.934   10.746  234.801   9.4661  240.075   8.2837 -5.273956 12.57883 
1 1 1  -17   14   50 o  153.390   8.1161   65.398   6.6251   65.657   10.301   65.215   8.6516  153.268   12.438  153.512   10.430 -0.2444305 16.23224 
1 1 1  -17   14   51 o   53.209   13.939   3.2617   6.1259   14.648   9.2253  -5.7186   8.1929   69.366   21.959   37.052   17.176 32.31472 27.87839 
1 1 1  -17   14   52 o   88.805   13.121   24.704   6.1378   17.477   9.3189   30.242   8.1569   74.703   21.759  102.906   14.669 -28.20271 26.24209 
1 1 1  -17   14   53 o  174.091   7.7336   85.595   7.1808   77.643   10.718   92.070   9.6723  166.119   11.940  182.064   9.8315 -15.94478 15.46718 
1 1 1  -17   14   54 o  127.193   9.8897   46.224   6.7724   46.557   10.021   45.945   9.1886  127.319   14.565  127.067   13.382 0.2519531 19.77940 
1 1 1  -17   14   55 o  106.480   11.680   34.302   6.3831   29.878   9.6909   37.691   8.4833   98.337   18.924  114.624   13.696 -16.28628 23.36052 
1 1 1  -17   14   56 o  107.931   11.817   35.997   6.4148   29.412   9.9530   40.676   8.3898   96.678   19.720  119.185   13.027 -22.50702 23.63447 
1 1 1  -17   14   57 o   83.801   14.154   22.571   6.3750   29.069   9.5441   17.337   8.5662   95.327   19.192   72.275   20.808 23.05207 28.30714 
1 1 1  -17   14   58 o   48.919   13.680  -2.0576   6.3550   15.260   10.032 -13.6643   8.2131   67.525   22.980   30.313   14.850 37.21201 27.36050 
1 1 1  -17   14   59 o   77.913   19.412   22.100   10.039   22.703   16.044   21.712   12.869   78.032   28.805   77.794   26.029 0.2374802 38.82331 
1 1 1  -17   14   60 o  145.773   14.553   73.961   10.742   67.410   16.802   78.491   13.971  134.453   24.006  157.094   16.458 -22.64156 29.10632 
1 1 1  -17   14   61 o   58.301   15.442   11.333   6.8133   6.6877   10.672   14.528   8.8520   52.437   22.087   64.166   21.587 -11.72885 30.88484 
1 1 1  -17   14   62 o  130.543   13.268   58.932   8.6578   65.077   11.284   50.135   13.500  144.628   14.438  116.457   22.264 28.17008 26.53598 
1 1 1  -17   15    1 o  146.983   10.514   52.613   7.4766   46.274   8.6015   72.207   15.122  130.760   12.173  163.206   17.147 -32.44633 21.02868 
1 1 1  -17   15    2 o  716.703   11.336  1382.93   41.001  1367.11   49.636  1416.89   72.745  710.659   12.925  722.746   18.626 -12.08655 22.67185 
1 1 1  -17   15    3 o  165.861   7.3113   74.442   6.5445   79.280   9.3062   69.708   9.2054  171.199   10.060  160.522   10.613 10.67751 14.62269 
1 1 1  -17   15    6 o  186.884   9.3403   94.460   9.4323   0.0000   0.0000   94.460   9.4323  ?   ?   186.884   9.3403      ?      ? 
1 1 1  -17   15    7 o  216.540   8.7681  126.804   10.260   0.0000   0.0000  126.804   10.260  ?   ?   216.540   8.7681      ?      ? 
1 1 1  -17   15    9 o  192.884   9.3049  100.625   9.6982   0.0000   0.0000  100.625   9.6982  ?   ?   192.884   9.3049      ?      ? 
1 1 1  -17   15   10 o  127.274   9.5974   43.715   6.5698   45.344   9.8485   42.409   8.8188  129.392   14.086  125.155   13.040 4.237122 19.19477 
1 1 1  -17   15   11 o  424.035   9.0949  486.291   20.840   0.0000   0.0000  486.291   20.840  ?   ?   424.035   9.0949      ?      ? 
1 1 1  -17   15   12 o  351.580   6.1850  334.327   11.748  327.730   16.641  340.882   16.589  348.118   8.8461  355.042   8.6465 -6.923920 12.36995 
1 1 1  -17   15   13 o  240.677   8.9732  156.655   11.670   0.0000   0.0000  156.655   11.670  ?   ?   240.677   8.9732      ?      ? 
1 1 1  -17   15   14 o  453.834   9.5495  557.095   23.419   0.0000   0.0000  557.095   23.419  ?   ?   453.834   9.5495      ?      ? 
1 1 1  -17   15   15 o  654.982   8.5633  1161.21   30.308  1150.96   42.782  1171.53   42.941  652.078   12.142  657.885   12.079 -5.806519 17.12668 
1 1 1  -17   15   16 o  537.260   10.467  781.013   30.387   0.0000   0.0000  781.013   30.387  ?   ?   537.260   10.467      ?      ? 
1 1 1  -17   15   17 o  175.463   11.503   83.333   10.906   0.0000   0.0000   83.333   10.906  ?   ?   175.463   11.503      ?      ? 
1 1 1  -17   15   18 o  741.360   9.4838  1487.69   37.979  1452.94   52.867  1524.76   54.596  732.426   13.358  750.295   13.466 -17.86896 18.96751 
1 1 1  -17   15   20 o  150.697   9.1131   61.793   7.3854   56.121   10.604   67.137   10.292  143.928   13.634  157.467   12.096 -13.53932 18.22614 
1 1 1  -17   15   21 o  487.232   7.1184  642.296   18.737  623.376   26.281  661.857   26.722  479.931   10.134  494.533   9.9998 -14.60196 14.23685 
1 1 1  -17   15   22 o  320.644   6.2996  278.155   10.903  260.868   15.289  296.044   15.553  310.497   9.1122  330.791   8.7010 -20.29382 12.59917 
1 1 1  -17   15   23 f  614.331   8.2100  1022.19   27.253  1009.87   38.528  1034.52   38.555  610.618   11.677  618.044   11.544 -7.425171 16.42009 
1 1 1  -17   15   24 o  163.658   8.3990   72.723   7.4018   65.729   10.466   79.722   10.470  155.747   12.435  171.569   11.293 -15.82214 16.79798 
1 1 1  -17   15   25 o  221.393   6.9779  132.919   8.2999  130.671   12.364  134.763   11.198  219.660   10.417  223.126   9.2874 -3.466843 13.95589 
1 1 1  -17   15   26 o  314.389   6.4200  266.850   10.874  276.919   16.121  258.444   14.730  319.798   9.3289  308.981   8.8226 10.81677 12.83999 
1 1 1  -17   15   27 o  198.380   7.3600  106.785   7.8517  105.037   11.640  108.244   10.636  196.859   10.942  199.902   9.8462 -3.042770 14.71995 
1 1 1  -17   15   28 o  303.067   7.8848  246.404   12.203  241.195   14.907  256.982   21.243  298.427   9.2444  307.707   12.776 -9.279785 15.76969 
1 1 1  -17   15   29 o  478.864  10.0000  622.261   25.854  597.973   35.684  649.099   37.511  469.056   14.079  488.671   14.205 -19.61462 19.99995 
1 1 1  -17   15   32 o  302.958   8.5797  246.513   13.917  271.396   21.512  228.604   18.251  315.872   12.603  290.044   11.645 25.82797 17.15936 
1 1 1  -17   15   33 o  170.663   7.7717   78.966   7.1037   80.381   10.831   77.897   9.4104  171.942   11.657  169.383   10.281 2.558807 15.54335 
1 1 1  -17   15   34 o  392.220   6.4044  417.568   13.549  414.707   19.724  420.124   18.645  390.895   9.3381  393.545   8.7674 -2.649902 12.80886 
1 1 1  -17   15   35 o  120.759   10.001   39.541   6.4811   42.663   9.8845   37.186   8.5838  124.853   14.651  116.665   13.616 8.187584 20.00134 
1 1 1  -17   15   36 o  307.979   6.2193  257.824   10.321  253.534   15.105  261.581   14.136  305.511   9.1498  310.448   8.4263 -4.936615 12.43869 
1 1 1  -17   15   37 o  261.661   6.4262  186.886   9.0356  175.451   13.238  196.860   12.364  254.041   9.6432  269.281   8.4968 -15.23961 12.85245 
1 1 1  -17   15   38 o  350.503   6.2830  334.110   11.885  330.009   17.187  337.868   16.453  348.382   9.1297  352.624   8.6344 -4.242004 12.56605 
1 1 1  -17   15   39 o  159.326   8.0834   69.386   6.8758   69.286   10.566   69.459   9.0558  159.085   12.291  159.566   10.503 -0.4813538 16.16689 
1 1 1  -17   15   40 o  289.773   6.1893  228.619   9.6203  227.734   14.492  229.315   12.863  289.142   9.2754  290.403   8.1972 -1.260498 12.37855 
1 1 1  -17   15   41 o   82.200   13.998   19.788   6.1173   18.760   9.2546   20.586   8.1523   80.086   21.093   84.314   18.409 -4.227890 27.99661 
1 1 1  -17   15   42 o  157.187   7.8811   67.579   6.5359   68.246   10.456   67.152   8.3735  157.589   12.279  156.786   9.8835 0.8035431 15.76220 
1 1 1  -17   15   43 o  143.036   8.4510   56.258   6.4572   56.684   9.9209   55.946   8.5053  143.309   12.811  142.764   11.025 0.5446014 16.90210 
1 1 1  -17   15   44 o  141.228   8.5131   53.209   6.3689   64.299   10.334   46.418   8.0873  152.591   12.533  129.865   11.524 22.72508 17.02620 
1 1 1  -17   15   45 o   66.033   14.981   12.521   6.0542   11.576   9.0929   13.273   8.1144   64.595   21.878   67.472   20.469 -2.877701 29.96102 
1 1 1  -17   15   46 o  196.507   7.0333  105.737   7.3590  108.458   11.487  103.843   9.5837  198.375   10.716  194.640   9.1120 3.735336 14.06655 
1 1 1  -17   15   47 o   57.731   13.555   7.5037   6.0560  -5.0138   9.3405   16.582   7.9545   41.099   18.792   74.364   19.541 -33.26504 27.11016 
1 1 1  -17   15   48 o  100.090   12.023   29.234   6.1956   28.301   9.7530   29.866   8.0222   97.259   19.239  102.921   14.425 -5.661850 24.04590 
1 1 1  -17   15   49 o  310.729   6.1598  264.502   10.279  272.185   15.511  258.486   13.725  314.488   9.1273  306.970   8.2744 7.517181 12.31964 
1 1 1  -17   15   50 o  134.322   9.1514   49.235   6.5136   58.407   10.551   43.587   8.2797  143.875   13.571  124.769   12.281 19.10674 18.30289 
1 1 1  -17   15   51 o   43.404   13.350  -0.0283   5.7821   1.3883   8.9038  -1.0614   7.6036   46.482   19.898   40.325   17.804 6.157436 26.70083 
1 1 1  -17   15   52 f  118.723   10.308   40.573   6.5360   39.334   9.9218   41.523   8.6874  116.536   15.756  120.909   13.297 -4.372635 20.61671 
1 1 1  -17   15   53 o   56.258   15.086   7.5307   6.3109   11.665   9.7895   4.5907   8.2553   63.091   22.614   49.425   19.974 13.66605 30.17219 
1 1 1  -17   15   54 o   52.959   14.346   5.9694   6.2764  -1.6101   9.5298   11.776   8.3410   43.803   19.599   62.115   20.955 -18.31186 28.69187 
1 1 1  -17   15   55 o  110.744   11.517   35.267   6.5702   48.063   10.308   26.512   8.5265  128.487   14.847   93.000   17.611 35.48636 23.03489 
1 1 1  -17   15   56 o   58.800   14.705   10.206   6.4635   1.9255   9.9841   16.180   8.4803   47.628   20.732   69.972   20.858 -22.34391 29.40903 
1 1 1  -17   15   57 o   45.609   14.121   1.3004   6.5150  -0.0002   10.603   2.0891   8.2576   46.589   20.772   44.630   19.135 1.959133 28.24232 
1 1 1  -17   15   58 o  128.255   16.543   56.220   10.427   49.459   17.617   59.865   12.936  115.781   28.378  140.728   17.011 -24.94688 33.08598 
1 1 1  -17   15   59 o  182.526   11.841  106.471   11.208  101.149   18.110  109.775   14.269  174.529   19.203  190.523   13.860 -15.99348 23.68192 
1 1 1  -17   15   60 o   97.722   13.414   29.640   7.3869   59.956   11.778   9.9829   9.4841  139.394   15.636   56.050   21.800 83.34421 26.82790 
1 1 1  -17   15   61 o  122.863   13.425   50.204   8.8225   44.508   11.518   58.288   13.723  115.215   18.501  130.510   19.459 -15.29475 26.85035 
1 1 1  -17   16    1 o  574.627   10.051  867.191   27.836  954.279   54.383  836.274   32.402  593.291   16.963  555.963   10.786 37.32867 20.10155 
1 1 1  -17   16    2 o  413.653   8.2881  458.724   17.320  451.060   20.959  475.225   30.754  408.372   9.4980  418.934   13.585 -10.56207 16.57621 
1 1 1  -17   16    4 o  170.703   10.723   78.837   9.8908   0.0000   0.0000   78.837   9.8908  ?   ?   170.703   10.723      ?      ? 
1 1 1  -17   16    5 o  212.504   9.7205  122.146   11.162  122.146   11.162   0.0000   0.0000  212.504   9.7205  ?   ?       ?      ? 
1 1 1  -17   16    6 o  516.407   7.3455  720.369   20.482  692.086   28.318  751.398   29.660  505.794   10.361  527.019   10.415 -21.22458 14.69091 
1 1 1  -17   16    7 o  683.414   12.610  1264.30   46.566   0.0000   0.0000  1264.30   46.566  ?   ?   683.414   12.610      ?      ? 
1 1 1  -17   16    8 o  414.750   9.3277  465.248   20.905   0.0000   0.0000  465.248   20.905  ?   ?   414.750   9.3277      ?      ? 
1 1 1  -17   16    9 o  800.214   10.158  1734.49   43.925  1725.39   62.138  1743.59   62.100  798.108   14.408  802.320   14.324 -4.211365 20.31658 
1 1 1  -17   16   10 o  349.467   8.8206  330.290   16.657   0.0000   0.0000  330.290   16.657  ?   ?   349.467   8.8206      ?      ? 
1 1 1  -17   16   11 o  427.536   9.4734  494.440   21.886   0.0000   0.0000  494.440   21.886  ?   ?   427.536   9.4734      ?      ? 
1 1 1  -17   16   12 o  600.977   8.0992  977.610   26.299  973.159   37.411  981.959   36.979  599.616   11.546  602.338   11.361 -2.721924 16.19847 
1 1 1  -17   16   13 o  376.111   6.5637  382.422   13.328  387.833   19.318  377.506   18.412  378.641   9.4414  373.581   9.1209 5.059967 13.12745 
1 1 1  -17   16   15 o  720.378   13.145  1405.42   51.168   0.0000   0.0000  1405.42   51.168  ?   ?   720.378   13.145      ?      ? 
1 1 1  -17   16   16 o  437.292   6.8672  517.429   16.223  505.773   22.971  529.030   22.916  432.370   9.8317  442.213   9.5901 -9.843719 13.73436 
1 1 1  -17   16   17 o  157.960   8.8416   67.237   7.5237   75.013   11.051   60.518   10.272  166.437   12.287  149.483   12.717 16.95422 17.68326 
1 1 1  -17   16   18 o  548.596   7.6553  814.779   22.691  802.641   32.111  826.887   32.070  544.506   10.913  552.686   10.738 -8.180542 15.31064 
1 1 1  -17   16   19 o  174.075   8.1646   82.252   7.6384   80.154   11.329   84.001   10.343  172.012   12.188  176.139   10.867 -4.126633 16.32921 
1 1 1  -17   16   20 o  387.386   6.5510  406.137   13.711  397.208   19.389  415.068   19.390  383.120   9.3656  391.652   9.1622 -8.531830 13.10195 
1 1 1  -17   16   21 o  393.336   9.2346  418.662   19.628   0.0000   0.0000  418.662   19.628  ?   ?   393.336   9.2346      ?      ? 
1 1 1  -17   16   22 o  447.639   6.8492  542.289   16.563  525.211   23.249  559.889   23.602  440.478   9.7678  454.801   9.6039 -14.32379 13.69830 
1 1 1  -17   16   23 o  237.390   6.8853  152.754   8.8228  146.218   12.568  159.105   12.389  232.364   10.009  242.417   9.4575 -10.05324 13.77068 
1 1 1  -17   16   24 o  151.426   12.406   62.197   10.152   0.0000   0.0000   62.197   10.152  ?   ?   151.426   12.406      ?      ? 
1 1 1  -17   16   25 o  449.474   6.8863  547.187   16.718  548.595   24.014  545.862   23.289  450.019   9.8752  448.929   9.6004 1.090302 13.77268 
1 1 1  -17   16   26 o  417.890   13.101  474.099   29.584   0.0000   0.0000  474.099   29.584  ?   ?   417.890   13.101      ?      ? 
1 1 1  -17   16   27 o  104.591   17.133   31.448   9.5123   35.023   13.131   27.500   13.799  111.049   22.650   98.132   25.712 12.91757 34.26584 
1 1 1  -17   16   28 o  234.772   13.716  149.865   17.401   0.0000   0.0000  149.865   17.401  ?   ?   234.772   13.716      ?      ? 
1 1 1  -17   16   30 o  143.467   16.982   56.284   13.165   0.0000   0.0000   56.284   13.165  ?   ?   143.467   16.982      ?      ? 
1 1 1  -17   16   31 o  129.984   10.518   45.586   7.2708   58.282   10.882   35.346   9.7725  146.242   13.770  113.726   15.902 32.51637 21.03561 
1 1 1  -17   16   32 o  325.469   8.6225  287.271   15.165   0.0000   0.0000  287.271   15.165  ?   ?   325.469   8.6225      ?      ? 
1 1 1  -17   16   33 o   77.269   14.904   17.355   6.6205   11.128   9.9006   22.392   8.9042   66.071   22.818   88.466   19.179 -22.39526 29.80787 
1 1 1  -17   16   34 o  210.687   6.9828  120.520   7.9304  122.868   11.678  118.510   10.804  212.551   10.167  208.824   9.5741 3.726700 13.96569 
1 1 1  -17   16   35 o  337.406   6.3103  309.533   11.477  303.538   16.740  314.849   15.764  334.252   9.2681  340.561   8.5664 -6.308319 12.62064 
1 1 1  -17   16   36 o   79.947   14.723   18.673   6.5086   14.518   9.6001   22.208   8.8542   72.003   22.342   87.891   19.182 -15.88766 29.44692 
1 1 1  -17   16   37 o  348.436   6.3228  330.832   11.880  315.013   17.070  345.691   16.545  340.253   9.2843  356.618   8.5857 -16.36511 12.64568 
1 1 1  -17   16   38 o  211.274   6.9635  121.718   7.8849  121.350   11.925  122.004   10.510  210.869   10.466  211.679   9.1884 -0.8097687 13.92691 
1 1 1  -17   16   39 o  433.097   6.7153  511.293   15.696  510.489   22.760  512.022   21.675  432.676   9.7349  433.518   9.2526 -0.8415222 13.43051 
1 1 1  -17   16   40 o  135.855   9.2421   50.657   6.7441   51.700   10.149   49.833   9.0244  136.984   13.712  134.726   12.396 2.257797 18.48424 
1 1 1  -17   16   41 f  209.010   6.6803  118.387   7.4573  125.097   11.584  113.639   9.7451  213.889   10.023  204.130   8.8346 9.758911 13.36070 
1 1 1  -17   16   42 o  160.282   7.6388   68.012   6.4976   87.436   10.352   55.386   8.3463  178.514   10.732  142.050   10.873 36.46410 15.27766 
1 1 1  -17   16   43 o   90.276   12.891   24.532   6.0151   18.696   9.4207   28.548   7.8157   79.231   21.469  101.321   14.275 -22.08974 25.78197 
1 1 1  -17   16   44 o  149.789   8.1154   61.890   6.4383   61.793   10.152   61.954   8.3269  149.387   12.576  150.192   10.260 -0.8049927 16.23074 
1 1 1  -17   16   45 o   77.932   14.112   17.458   6.0346   24.599   9.3515   12.362   7.8996   90.808   19.630   65.056   20.280 25.75172 28.22455 
1 1 1  -17   16   46 o   84.827   13.642   21.158   6.1013   25.821   9.2528   17.571   8.1158   93.168   19.022   76.486   19.559 16.68198 27.28383 
1 1 1  -17   16   47 o  164.639   7.9109   75.821   6.9006   71.666   10.696   78.783   9.0314  160.274   12.350  169.003   9.8895 -8.729431 15.82185 
1 1 1  -17   16   48 f   66.705   14.902   11.931   6.3284   20.444   9.7410   5.7149   8.3244   81.304   21.748   52.106   20.380 29.19795 29.80436 
1 1 1  -17   16   49 o   60.565   14.382   9.8073   6.2587   0.9446   9.4321   16.780   8.3659   47.252   20.359   73.879   20.321 -26.62685 28.76455 
1 1 1  -17   16   50 o  243.459   6.5364  163.571   8.5193  165.496   12.988  162.117   11.287  244.355   9.8362  242.563   8.6110 1.792038 13.07288 
1 1 1  -17   16   51 o   62.893   15.031   11.473   6.0316   14.773   9.3691   9.1377   7.8823   68.802   22.166   56.983   20.306 11.81921 30.06111 
1 1 1  -17   16   52 o   79.565   14.224   20.344   6.1885   15.818   9.5050   23.673   8.1535   70.781   22.275   88.350   17.695 -17.56905 28.44862 
1 1 1  -17   16   53 o  223.985   6.9199  140.268   8.3309  134.620   12.273  145.093   11.345  219.383   10.353  228.587   9.1844 -9.204147 13.83980 
1 1 1  -17   16   54 o   78.795   15.496   20.166   6.7835   21.356   10.403   19.286   8.9474   80.288   22.872   77.301   20.913 2.986580 30.99205 
1 1 1  -17   16   55 o  237.309   7.1295  159.419   9.0890  149.524   13.304  168.079   12.446  229.737   10.717  244.881   9.4056 -15.14372 14.25902 
1 1 1  -17   16   56 o  128.921   11.093   48.546   7.5851   55.585   12.202   44.113   9.6835  135.583   16.654  122.260   14.658 13.32327 22.18590 
1 1 1  -17   16   57 o  132.076   16.258   58.966   10.620   52.072   17.548   62.950   13.340  119.910   27.647  144.241   17.115 -24.33125 32.51617 
1 1 1  -17   16   58 o   62.723   17.357   14.092   9.3209   3.2027   15.360   20.439   11.727   53.252   24.251   72.195   24.839 -18.94318 34.71437 
1 1 1  -17   16   59 o   29.272   14.471 -15.3948   8.4073   0.0000   0.0000 -15.3948   8.4073  ?   ?    29.272   14.471      ?      ? 
1 1 1  -17   16   60 o   44.202   14.558  -1.8579   8.2233  -1.6767   10.335  -2.1707   13.575   42.117   19.442   46.288   21.674 -4.170853 29.11599 
1 1 1  -17   17    1 o  246.363   10.265  176.365   11.440  142.500   22.658  187.952   13.254  229.132   18.300  263.595   9.3049 -34.46300 20.52994 
1 1 1  -17   17    2 o  403.417   6.9075  440.387   15.025  438.678   21.960  441.891   20.603  402.663   10.093  404.170   9.4335 -1.507202 13.81499 
1 1 1  -17   17    3 o  705.892   11.347  1353.43   40.995  1358.58   50.508  1343.47   70.183  708.267   13.197  703.516   18.462 4.750916 22.69337 
1 1 1  -17   17    4 o  306.597   6.7694  253.443   11.192  267.416   16.489  241.507   15.241  314.401   9.7057  298.793   9.4393 15.60809 13.53890 
1 1 1  -17   17    5 o  875.772   15.499  2079.08   73.346   0.0000   0.0000  2079.08   73.346  ?   ?   875.772   15.499      ?      ? 
1 1 1  -17   17    7 o  445.357   9.7112  536.584   23.371   0.0000   0.0000  536.584   23.371  ?   ?   445.357   9.7112      ?      ? 
1 1 1  -17   17    8 o  185.875   8.3743   93.527   8.4112   93.398   11.905   93.656   11.886  185.747   11.861  186.004   11.825 -0.2568512 16.74857 
1 1 1  -17   17   11 o  535.813   10.942  776.981   31.681  776.981   31.681   0.0000   0.0000  535.813   10.942  ?   ?       ?      ? 
1 1 1  -17   17   12 o  315.980   6.7612  270.216   11.537  267.044   16.560  273.209   16.082  314.169   9.7544  317.792   9.3653 -3.622650 13.52248 
1 1 1  -17   17   13 o  479.611   9.9765  622.450   25.856   0.0000   0.0000  622.450   25.856  ?   ?   479.611   9.9765      ?      ? 
1 1 1  -17   17   14 o  302.123   6.6360  247.067   10.828  244.131   15.522  249.849   15.111  300.366   9.5635  303.880   9.2024 -3.514557 13.27192 
1 1 1  -17   17   15 o  234.649   7.2957  149.905   9.1957  134.455   13.222  164.380   12.798  222.841   10.980  246.457   9.6096 -23.61580 14.59141 
1 1 1  -17   17   16 o  463.837   7.1187  581.923   17.832  554.349   24.879  611.050   25.570  452.537   10.174  475.136   9.9594 -22.59891 14.23732 
1 1 1  -17   17   17 o  210.553   7.4526  120.289   8.4581  115.008   12.226  125.138   11.714  206.092   10.978  215.014   10.082 -8.921921 14.90514 
1 1 1  -17   17   18 o  125.709   16.213   42.905   11.013   42.905   11.013   0.0000   0.0000  125.709   16.213  ?   ?       ?      ? 
1 1 1  -17   17   19 o  262.075   6.8798  184.911   9.6993  196.223   14.568  175.906   12.999  269.220   10.014  254.930   9.4364 14.28966 13.75970 
1 1 1  -17   17   20 o  412.600   9.3837  460.885   20.921   0.0000   0.0000  460.885   20.921  ?   ?   412.600   9.3837      ?      ? 
1 1 1  -17   17   21 o  393.446   9.3436  419.166   19.865   0.0000   0.0000  419.166   19.865  ?   ?   393.446   9.3436      ?      ? 
1 1 1  -17   17   22 o  221.500   7.4067  132.722   8.8544  137.246   12.914  128.709   12.163  225.048   10.620  217.953   10.328 7.094223 14.81345 
1 1 1  -17   17   23 o  125.421   14.592   47.399   8.6475   53.754   10.590   34.685   14.979  140.678   13.932  110.164   25.643 30.51357 29.18346 
1 1 1  -17   17   24 o  717.288   13.147  1403.04   50.936  1372.30   70.795  1436.04   73.341  709.192   18.473  725.383   18.711 -16.19141 26.29366 
1 1 1  -17   17   25 o  131.191   14.461   48.813   9.7084   61.441   13.648   35.878   13.813  150.138   16.823  112.245   23.526 37.89336 28.92174 
1 1 1  -17   17   26 o  189.714   11.571   98.063   11.585  128.311   17.026   71.982   15.810  217.124   14.512  162.303   18.026 54.82085 23.14176 
1 1 1  -17   17   28 o  466.257   10.088  593.093   25.339  583.333   37.158  601.576   34.643  462.496   14.868  470.017   13.640 -7.521423 20.17681 
1 1 1  -17   17   29 o   76.682   17.164   14.324   7.9916   8.8232   10.082   23.626   13.109   62.484   22.870   90.880   25.601 -28.39663 34.32864 
1 1 1  -17   17   30 o  165.397   8.4074   74.569   7.4847   72.770   11.007   76.116   10.208  163.482   12.460  167.313   11.290 -3.831573 16.81475 
1 1 1  -17   17   31 o  174.589   8.1524   83.943   7.5983   74.063   11.194   92.383   10.347  164.829   12.568  184.350   10.387 -19.52084 16.30474 
1 1 1  -17   17   32 o  192.835   7.4451  101.498   7.7327   94.492   11.110  108.080   10.769  186.294   11.036  199.376   9.9960 -13.08257 14.89030 
1 1 1  -17   17   33 o  140.530   9.5792   55.157   7.1055   46.566   10.702   61.930   9.5019  130.319   15.198  150.741   11.665 -20.42209 19.15841 
1 1 1  -17   17   34 o   87.534   14.388   21.932   6.6837   25.578   9.8398   18.809   9.1071   94.334   19.928   80.734   20.759 13.60001 28.77598 
1 1 1  -17   17   35 o  130.347   10.138   46.594   7.0990   47.128   10.653   46.167   9.5211  130.911   15.059  129.782   13.576 1.128632 20.27559 
1 1 1  -17   17   36 o  321.242   6.2738  279.327   10.829  293.823   16.361  268.025   14.446  328.533   9.2159  313.951   8.5153 14.58185 12.54762 
1 1 1  -17   17   37 o   60.221   15.215   8.6405   6.1728   11.102   9.7744   7.0077   7.9613   65.260   22.665   55.181   20.304 10.07899 30.42927 
1 1 1  -17   17   38 o  158.553   8.3507   69.870   7.0409   61.449   10.514   76.715   9.4802  149.531   13.013  167.576   10.469 -18.04434 16.70143 
1 1 1  -17   17   39 o  213.373   6.9864  124.836   8.0145  118.418   11.751  130.418   10.959  208.089   10.451  218.658   9.2748 -10.56900 13.97280 
1 1 1  -17   17   40 o  191.769   7.1540  100.139   7.3706  105.399   11.143   96.048   9.8280  196.123   10.514  187.415   9.7044 8.708115 14.30806 
1 1 1  -17   17   41 f  212.887   6.8447  125.308   7.7544  115.526   11.763  132.826   10.313  205.189   10.609  220.585   8.6517 -15.39558 13.68940 
1 1 1  -17   17   42 o   92.202   12.630   23.867   6.1144   33.755   9.3483   16.474   8.0832  109.780   15.759   74.623   19.741 35.15726 25.25940 
1 1 1  -17   17   43 o   84.868   13.566   20.690   6.0812   27.887   9.4008   15.512   7.9744   97.488   18.523   72.249   19.826 25.23887 27.13224 
1 1 1  -17   17   44 o  160.030   7.9528   70.868   6.7607   70.440   10.550   71.166   8.8068  159.277   12.257  160.782   10.137 -1.504745 15.90560 
1 1 1  -17   17   45 f  312.382   6.2208  267.639   10.461  267.603   15.474  267.670   14.197  312.159   9.1737  312.605   8.4044 -0.4457092 12.44150 
1 1 1  -17   17   46 o   61.473   14.923   10.482   6.2885   5.1275   9.4661   14.711   8.4132   53.216   21.430   69.730   20.773 -16.51363 29.84609 
1 1 1  -17   17   47 o  164.055   8.0088   75.242   7.0344   71.298   10.514   78.438   9.4649  159.780   12.177  168.331   10.406 -8.550369 16.01759 
1 1 1  -17   17   48 o  206.976   7.1046  119.070   7.8915  114.707   11.737  122.670   10.661  203.167   10.691  210.785   9.3602 -7.618057 14.20916 
1 1 1  -17   17   49 o  137.151   9.2761   51.950   6.7635   60.256   10.809   46.605   8.6706  145.654   13.734  128.647   12.473 17.00639 18.55211 
1 1 1  -17   17   50 o   54.357   14.914   7.0425   6.3292   3.8579   10.057   9.1309   8.1443   51.546   21.561   57.169   20.612 -5.622940 29.82772 
1 1 1  -17   17   51 o  189.753   7.7905  100.618   7.8452  101.744   12.325   99.850   10.172  190.027   12.003  189.480   9.9344 0.5463257 15.58110 
1 1 1  -17   17   52 o  134.411   9.8100   52.261   7.0002   50.104   10.802   53.824   9.1917  131.163   15.240  137.660   12.357 -6.497437 19.62005 
1 1 1  -17   17   53 o  116.754   11.483   40.611   7.0677   38.279   11.041   42.230   9.1995  112.656   18.137  120.852   14.087 -8.195694 22.96530 
1 1 1  -17   17   54 o   44.841   14.002   0.4169   6.6680  -1.9812   10.206   2.2030   8.8077   43.890   19.903   45.793   19.702 -1.902687 28.00477 
1 1 1  -17   17   55 o   61.894   17.539   8.6674   7.7980   19.358   15.994   5.3336   8.9315   73.491   28.386   50.296   20.607 23.19476 35.07717 
1 1 1  -17   17   56 o  102.801   19.076   36.746   10.185   43.739   18.158   33.536   12.303  106.192   30.206   99.411   23.307 6.780609 38.15294 
1 1 1  -17   17   57 o   71.393   18.519   21.070   9.3896   17.998   16.854   22.453   11.307   66.782   27.920   76.004   24.337 -9.222260 37.03813 
1 1 1  -17   17   58 o   49.516   13.876  -0.7619   6.4855   17.337   10.346 -12.4768   8.3239   68.337   23.337   30.694   15.018 37.64297 27.75143 
1 1 1  -17   17   59 o   84.342   17.522   28.712   8.4685   28.365   11.125   29.189   13.059   85.711   23.374   82.973   26.110 2.738327 35.04394 
1 1 1  -17   18    2 o  340.236   9.7585  329.194   15.544  282.207   29.785  346.781   18.222  322.458   17.094  358.014   9.4192 -35.55621 19.51702 
1 1 1  -17   18    3 o  286.499   6.8410  221.957   10.576  224.590   15.409  219.613   14.542  288.095   9.8983  284.904   9.4456 3.190857 13.68200 
1 1 1  -17   18    4 o  398.645   14.824  430.856   31.934   0.0000   0.0000  430.856   31.934  ?   ?   398.645   14.824      ?      ? 
1 1 1  -17   18    5 o  440.092   7.0713  524.125   16.814  524.540   23.964  523.723   23.599  440.258   10.073  439.926   9.9272 0.3326416 14.14261 
1 1 1  -17   18    6 o  340.069   6.7101  312.695   12.323  319.059   17.804  306.842   17.074  343.383   9.5949  336.756   9.3829 6.626801 13.42020 
1 1 1  -17   18    7 o  303.234   6.7966  249.195   11.115  241.637   16.081  256.109   15.380  298.807   9.9593  307.660   9.2513 -8.853241 13.59317 
1 1 1  -17   18    8 f  600.721   8.2156  976.111   26.650  946.210   36.864  1008.85   38.572  591.105   11.541  610.337   11.695 -19.23212 16.43114 
1 1 1  -17   18    9 o  196.412   8.2277  104.521   8.7267  105.742   12.166  103.227   12.524  197.603   11.394  195.220   11.872 2.383270 16.45540 
1 1 1  -17   18   10 f  161.591   12.983   70.764   11.337   0.0000   0.0000   70.764   11.337  ?   ?   161.591   12.983      ?      ? 
1 1 1  -17   18   11 o  660.389   8.7546  1181.50   31.237  1187.13   44.571  1176.06   43.791  661.922   12.461  658.855   12.300 3.067322 17.50911 
1 1 1  -17   18   12 o  695.182   9.1445  1308.37   34.333  1268.99   47.616  1351.01   49.550  684.305   12.877  706.058   12.987 -21.75232 18.28909 
1 1 1  -17   18   13 o  599.845   8.2097  971.926   26.570  927.200   36.378  1023.07   38.901  585.106   11.506  614.584   11.714 -29.47827 16.41931 
1 1 1  -17   18   14 o  569.651   7.9554  878.514   24.483  855.853   34.266  902.148   34.994  562.145   11.281  577.156   11.220 -15.01105 15.91075 
1 1 1  -17   18   15 o  373.738   9.3097  378.055   18.801   0.0000   0.0000  378.055   18.801  ?   ?   373.738   9.3097      ?      ? 
1 1 1  -17   18   16 o  523.963   7.5523  740.765   21.341  695.482   29.103  793.429   31.386  506.716   10.629  541.209   10.732 -34.49326 15.10469 
1 1 1  -17   18   17 o  593.682   11.377  955.303   36.497   0.0000   0.0000  955.303   36.497  ?   ?   593.682   11.377      ?      ? 
1 1 1  -17   18   18 o  197.109   8.0768  105.489   8.5459  103.860   12.790  106.802   11.486  195.692   12.095  198.526   10.707 -2.833542 16.15354 
1 1 1  -17   18   19 o  403.430   6.8370  441.092   14.891  433.840   21.416  447.880   20.720  400.193   9.9033  406.667   9.4290 -6.473755 13.67407 
1 1 1  -17   18   20 o  381.619   12.869  395.270   26.538   0.0000   0.0000  395.270   26.538  ?   ?   381.619   12.869      ?      ? 
1 1 1  -17   18   21 o  234.587   9.7413  150.647   12.222  159.369   16.462  139.932   18.245  242.319   12.572  226.855   14.884 15.46352 19.48256 
1 1 1  -17   18   22 o  300.226   9.0389  244.348   14.651  231.757   20.275  258.108   21.195  292.138   12.844  308.314   12.722 -16.17609 18.07773 
1 1 1  -17   18   23 o   99.721   17.469   28.782   9.5045   35.338   13.138   21.583   13.767  111.478   22.583   87.965   26.657 23.51222 34.93723 
1 1 1  -17   18   24 o   63.798   17.966   5.8182   9.3541   8.5968   13.309   3.1059   13.149   67.412   25.934   60.184   24.869 7.228050 35.93104 
1 1 1  -17   18   25 o   85.107   26.071   20.207   13.120   0.0000   0.0000   20.207   13.120  ?   ?    85.107   26.071      ?      ? 
1 1 1  -17   18   26 o   59.783   17.920   1.2235   9.9407  -7.4977   17.309   5.5158   12.143   58.417   26.256   61.148   24.395 -2.730377 35.83931 
1 1 1  -17   18   27 o  499.217   10.494  680.667   28.239  674.549   41.304  686.036   38.695  496.920   15.382  501.513   14.279 -4.593140 20.98800 
1 1 1  -17   18   28 o   90.651   14.933   23.584   7.1775   23.796   10.278   23.383   10.028   91.032   21.276   90.270   20.959 0.7618332 29.86613 
1 1 1  -17   18   29 o  359.461   6.5067  351.306   12.608  343.108   18.362  358.617   17.341  355.418   9.5608  363.503   8.8285 -8.085205 13.01350 
1 1 1  -17   18   30 o  188.429   7.9626   98.552   7.9234   76.279   11.381  119.501   11.037  167.182   12.598  209.676   9.7416 -42.49371 15.92525 
1 1 1  -17   18   31 o  349.515   6.4366  332.331   12.136  319.117   17.435  344.752   16.904  342.699   9.4150  356.330   8.7793 -13.63019 12.87316 
1 1 1  -17   18   32 o  363.616   6.5074  359.469   12.780  348.479   18.144  370.290   18.004  358.058   9.3774  369.175   9.0248 -11.11713 13.01472 
1 1 1  -17   18   33 o   51.792   14.748   1.6921   6.6041   8.7972   10.035  -3.7363   8.7714   61.864   22.791   41.720   18.725 20.14491 29.49657 
1 1 1  -17   18   34 o   81.973   14.773   19.064   6.8068   27.693   10.026   11.687   9.2704   98.001   19.618   65.945   22.092 32.05590 29.54525 
1 1 1  -17   18   35 o   75.909   15.552   16.576   6.6969   17.338   10.243   16.008   8.8508   77.437   22.886   74.382   21.065 3.055313 31.10469 
1 1 1  -17   18   36 o  104.878   12.037   30.530   6.6348   35.738   10.075   26.541   8.8166  113.496   16.427   96.260   17.598 17.23571 24.07424 
1 1 1  -17   18   37 o   77.004   14.678   17.030   6.3089   21.593   9.3423   13.204   8.5539   85.864   20.431   68.144   21.081 17.72084 29.35691 
1 1 1  -17   18   38 o  222.772   8.9288  135.396   10.748   0.0000   0.0000  135.396   10.748  ?   ?   222.772   8.9288      ?      ? 
1 1 1  -17   18   39 o  281.190   6.4141  217.112   9.6564  206.815   14.473  225.374   12.964  274.912   9.7425  287.467   8.3456 -12.55490 12.82830 
1 1 1  -17   18   40 o  118.127   10.611   38.968   6.7121   38.521   10.158   39.314   8.9423  117.265   16.031  118.990   13.908 -1.724907 21.22277 
1 1 1  -17   18   41 o  215.748   6.9414  126.483   8.0267  136.487   12.320  119.105   10.580  222.957   10.226  208.538   9.3893 14.41911 13.88271 
1 1 1  -17   18   42 o  222.553   6.9217  135.779   8.1978  137.821   12.789  134.355   10.681  223.658   10.582  221.447   8.9258 2.211624 13.84349 
1 1 1  -17   18   43 o  130.857   9.6543   47.406   6.7435   50.885   10.521   44.980   8.7854  134.621   14.463  127.092   12.792 7.528496 19.30866 
1 1 1  -17   18   44 o  148.995   8.5565   61.580   6.8058   63.125   10.520   60.468   8.9253  150.279   12.954  147.712   11.182 2.567398 17.11303 
1 1 1  -17   18   45 o  169.780   7.9706   80.181   7.2459   79.312   10.972   80.852   9.6495  168.635   12.040  170.926   10.447 -2.290741 15.94120 
1 1 1  -17   18   46 o   54.777   14.889   6.9898   6.1301   5.8096   9.8816   7.7281   7.8159   54.725   21.946   54.830   20.126 -0.1050949 29.77728 
1 1 1  -17   18   47 o  172.770   7.8284   82.295   7.2563   90.694   11.100   76.027   9.5892  180.226   11.397  165.313   10.735 14.91299 15.65673 
1 1 1  -17   18   48 o  129.575   12.600   47.368   8.8220   0.0000   0.0000   47.368   8.8220  ?   ?   129.575   12.600      ?      ? 
1 1 1  -17   18   49 o  134.734   9.5219   50.880   6.8533   57.175   10.718   46.526   8.9137  141.375   14.030  128.092   12.878 13.28278 19.04389 
1 1 1  -17   18   50 o   53.471   15.151   6.0640   6.6262   4.9685   10.230   6.8559   8.6974   53.220   21.958   53.723   20.881 -0.5035667 30.30172 
1 1 1  -17   18   51 o  175.732   8.2053   88.512   7.6223   80.102   11.700   94.712   10.047  167.437   12.932  184.027   10.103 -16.59084 16.41051 
1 1 1  -17   18   52 o   81.350   14.363   22.482   6.7795   12.359   10.898   28.872   8.6588   63.894   23.710   98.806   16.218 -34.91137 28.72589 
1 1 1  -17   18   53 o  147.053   9.5565   63.101   7.4679   63.387   11.637   62.901   9.7375  146.312   14.719  147.794   12.193 -1.481262 19.11299 
1 1 1  -17   18   54 o   60.220   18.187   8.0003   10.172   6.6486   17.432   8.6982   12.526   61.462   27.056   58.979   24.312 2.482681 36.37439 
1 1 1  -17   18   55 o   54.360   17.051  -5.2984   10.017   16.507   16.959 -16.9820   12.414   70.609   28.596   38.111   18.580 32.49815 34.10231 
1 1 1  -17   18   56 o   78.177   17.310   24.445   8.6431   16.079   12.412   32.320   12.043   64.379   24.967   91.976   23.983 -27.59702 34.61956 
1 1 1  -17   18   57 o   56.324   15.049   9.3090   7.0551  -0.5152   10.859   16.485   9.2807   44.991   20.451   67.657   22.082 -22.66653 30.09746 
1 1 1  -17   18   58 o  173.970   8.9899   89.467   8.3763  104.038   12.922   78.906   11.001  185.755   12.873  162.186   12.552 23.56831 17.97986 
1 1 1  -17   19    1 o  418.477   6.9233  474.082   15.652  461.866   22.149  486.268   22.121  413.081   9.9226  423.873   9.6577 -10.79196 13.84664 
1 1 1  -17   19    2 o  581.190   8.1483  914.983   25.580  910.140   36.635  919.590   35.734  579.668   11.696  582.712   11.349 -3.044312 16.29667 
1 1 1  -17   19    3 o  735.530   11.927  1478.16   44.466  1443.69   77.274  1495.22   54.370  728.402   19.632  742.659   13.548 -14.25714 23.85333 
1 1 1  -17   19    4 o  686.464   9.1144  1275.04   33.774  1233.46   46.485  1321.53   49.153  674.652   12.751  698.277   13.027 -23.62457 18.22879 
1 1 1  -17   19    5 o  427.309   15.313  495.496   35.358   0.0000   0.0000  495.496   35.358  ?   ?   427.309   15.313      ?      ? 
1 1 1  -17   19    6 o  168.374   9.3044   76.778   8.4542   75.586   11.621   78.119   12.321  166.997   12.878  169.750   13.432 -2.752106 18.60871 
1 1 1  -17   19    7 o  572.802   11.318  888.675   35.032   0.0000   0.0000  888.675   35.032  ?   ?   572.802   11.318      ?      ? 
1 1 1  -17   19    8 o  253.033   7.1104  173.135   9.7152  178.609   14.067  168.143   13.433  256.849   10.135  249.218   9.9751 7.630478 14.22071 
1 1 1  -17   19    9 o  309.427   9.8917  259.215   16.539  259.215   16.539   0.0000   0.0000  309.427   9.8917  ?   ?       ?      ? 
1 1 1  -17   19   10 o  199.243   8.0508  107.573   8.6669  106.909   12.326  108.223   12.189  198.630   11.484  199.857   11.286 -1.227264 16.10166 
1 1 1  -17   19   12 o  720.318   9.3861  1406.31   36.509  1364.65   50.491  1451.96   52.852  709.174   13.176  731.462   13.372 -22.28802 18.77221 
1 1 1  -17   19   13 o  287.046   9.1010  223.092   14.117   0.0000   0.0000  223.092   14.117  ?   ?   287.046   9.1010      ?      ? 
1 1 1  -17   19   14 o  245.417   7.2107  163.195   9.5606  162.070   13.630  164.285   13.414  244.577   10.313  246.258   10.080 -1.681107 14.42149 
1 1 1  -17   19   15 o  280.253   9.7363  212.745   14.744   0.0000   0.0000  212.745   14.744  ?   ?   280.253   9.7363      ?      ? 
1 1 1  -17   19   16 o  446.659   8.5342  540.867   19.768  540.040   24.696  542.342   32.980  446.435   10.237  446.884   13.658 -0.4491577 17.06835 
1 1 1  -17   19   17 o  284.380   9.0380  218.481   13.847  206.554   18.723  232.883   20.574  275.876   12.560  292.884   13.000 -17.00854 18.07592 
1 1 1  -17   19   18 o  398.912   9.2531  427.250   19.817  390.090   26.267  476.351   30.194  379.045   12.824  418.778   13.343 -39.73364 18.50624 
1 1 1  -17   19   19 o  347.883   8.9780  328.731   16.872  337.387   23.841  320.045   23.881  352.497   12.517  343.268   12.875 9.228424 17.95598 
1 1 1  -17   19   20 o  310.292   9.0668  261.148   15.163  236.036   20.998  288.513   21.920  294.681   13.187  325.903   12.447 -31.22195 18.13353 
1 1 1  -17   19   21 o  236.173   9.4727  151.733   12.087  148.131   17.064  155.360   17.123  233.344   13.533  239.003   13.259 -5.659454 18.94550 
1 1 1  -17   19   22 o  110.961   13.210   34.438   7.6405   33.005   11.599   35.536   10.155  107.868   20.651  114.055   16.477 -6.187492 26.41909 
1 1 1  -17   19   23 o  121.926   18.358   42.208   11.431   45.203   18.723   40.428   14.433  124.846   28.394  119.006   23.278 5.840530 36.71651 
1 1 1  -17   19   24 o  269.968   10.764  202.062   15.278  184.369   23.971  214.167   19.827  259.491   17.096  280.445   13.084 -20.95395 21.52772 
1 1 1  -17   19   25 o   84.506   20.252   18.909   10.702   17.214   18.403   19.775   13.155   84.851   30.923   84.162   26.160 0.6882324 40.50428 
1 1 1  -17   19   26 o  199.569   7.9126  108.009   8.5197  115.623   12.449  101.302   11.685  206.166   11.174  192.973   11.206 13.19316 15.82511 
1 1 1  -17   19   27 o  244.516   6.9611  162.919   9.1710  155.046   13.272  170.114   12.687  238.781   10.286  250.251   9.3821 -11.46979 13.92223 
1 1 1  -17   19   28 o  221.524   7.1969  133.934   8.5639  128.639   12.675  138.381   11.617  217.391   10.790  225.657   9.5267 -8.265991 14.39376 
1 1 1  -17   19   29 f  144.476   9.6679   56.949   7.5384   59.769   10.999   54.451   10.352  147.828   13.769  141.123   13.575 6.705368 19.33573 
1 1 1  -17   19   30 o  172.310   8.3339   80.579   7.7327   85.972   11.538   76.182   10.419  177.481   12.031  167.139   11.536 10.34233 16.66776 
1 1 1  -17   19   31 o   74.585   15.441   15.985   6.5800   14.802   10.297   16.801   8.5544   72.885   23.213   76.285   20.369 -3.400276 30.88250 
1 1 1  -17   19   32 o  103.867   12.927   31.135   6.8956   27.173   10.665   33.981   9.0388   96.690   21.013  111.044   15.064 -14.35349 25.85467 
1 1 1  -17   19   33 o  104.223   12.273   30.218   6.6595   38.556   10.004   23.582   8.9242  118.097   15.676   90.348   18.887 27.74899 24.54544 
1 1 1  -17   19   34 o   80.863   14.657   17.673   6.6021   28.371   10.471   10.614   8.5057   98.829   20.287   62.897   21.161 35.93229 29.31478 
1 1 1  -17   19   35 o  380.599   9.0188  394.753   18.548   0.0000   0.0000  394.753   18.548  ?   ?   380.599   9.0188      ?      ? 
1 1 1  -17   19   36 o  124.281   10.424   42.637   6.8893   43.817   10.802   41.828   8.9448  125.460   15.933  123.101   13.447 2.358978 20.84892 
1 1 1  -17   19   37 o   77.231   14.943   17.757   6.3643   16.371   10.080   18.676   8.2070   74.779   22.843   79.683   19.271 -4.903885 29.88608 
1 1 1  -17   19   38 o  179.470   7.8958   88.311   7.6119   90.726   11.467   86.409   10.178  181.509   11.692  177.432   10.615 4.076340 15.79161 
1 1 1  -17   19   39 o  104.988   12.290   30.551   6.7251   38.481   10.633   25.263   8.6824  116.876   16.835   93.099   17.909 23.77770 24.57971 
1 1 1  -17   19   40 o  175.614   7.7892   83.267   7.2767   94.980   11.590   75.646   9.3490  185.415   11.568  165.812   10.434 19.60301 15.57839 
1 1 1  -17   19   41 o   53.218   14.062   4.4444   6.3754  -7.1686   9.9045   12.660   8.3306   40.624   18.851   65.813   20.870 -25.18916 28.12340 
1 1 1  -17   19   42 o  176.330   8.1412   86.757   7.6709   81.644   11.531   90.816   10.274  171.257   12.460  181.402   10.481 -10.14561 16.28247 
1 1 1  -17   19   43 o   63.325   15.138   11.592   6.4578   5.5375   10.366   15.433   8.2554   55.328   22.375   71.321   20.395 -15.99257 30.27529 
1 1 1  -17   19   44 o  137.227   9.7420   53.998   7.0679   46.742   10.661   59.687   9.4405  128.154   15.396  146.300   11.942 -18.14651 19.48400 
1 1 1  -17   19   45 o   45.248   13.875   0.1953   6.1750   1.7126   9.6809  -0.8455   8.0178   48.708   20.797   41.787   18.373 6.921074 27.75054 
1 1 1  -17   19   46 o  100.563   12.749   29.412   6.6095   43.667   10.113   18.781   8.7328  123.412   15.164   77.715   20.500 45.69681 25.49890 
1 1 1  -17   19   47 o  133.945   10.306   54.226   6.9946   38.902   10.792   65.325   9.1849  115.101   17.351  152.790   11.125 -37.68973 20.61152 
1 1 1  -17   19   48 o   80.109   14.898   21.044   6.8814   12.711   10.395   27.545   9.1814   65.249   23.311   94.969   18.557 -29.72072 29.79533 
1 1 1  -17   19   49 o   74.350   15.618   17.767   6.7037   17.061   10.346   18.277   8.8009   72.817   23.276   75.883   20.830 -3.066071 31.23573 
1 1 1  -17   19   50 o  229.161   7.1357  147.460   8.7533  142.820   13.183  151.119   11.707  225.329   10.827  232.994   9.2981 -7.664886 14.27147 
1 1 1  -17   19   51 o   77.456   15.911   20.170   7.0899   17.859   10.818   21.910   9.3865   72.951   23.843   81.961   21.076 -9.009544 31.82268 
1 1 1  -17   19   52 o   49.975   14.674   3.7308   6.9635  -3.6352   10.372   9.7758   9.3959   42.547   19.581   57.403   21.860 -14.85626 29.34762 
1 1 1  -17   19   53 o   47.419   15.524  -5.8969   9.7611 -21.4347   16.951   1.8119   11.939   44.063   21.532   50.774   22.370 -6.710762 31.04865 
1 1 1  -17   19   54 o   73.356   19.687   17.569   9.8345   26.577   18.795   14.173   11.540   81.188   30.917   65.524   24.382 15.66446 39.37457 
1 1 1  -17   19   55 f  178.775   8.7041   93.513   8.2889  105.132   13.106   85.767   10.701  186.952   12.973  170.598   11.608 16.35400 17.40822 
1 1 1  -17   19   56 o  104.532   13.237   35.259   7.1929   38.462   11.355   33.112   9.2958  106.341   20.504  102.723   16.747 3.618011 26.47360 
1 1 1  -17   19   57 o   47.824   13.854  -3.6007   6.9167   18.185   10.762 -18.9341   9.0285   67.047   23.744   28.601   14.280 38.44588 27.70765 
1 1 1  -17   20    2 o  342.199   6.7773  317.376   12.522  309.703   17.935  324.673   17.490  338.141   9.8158  346.258   9.3475 -8.116425 13.55457 
1 1 1  -17   20    3 f  573.825   11.306  892.616   35.056   0.0000   0.0000  892.616   35.056  ?   ?   573.825   11.306      ?      ? 
1 1 1  -17   20    4 o  559.448   10.097  872.703   28.904  775.450   47.976  928.113   36.214  533.802   16.632  585.095   11.454 -51.29333 20.19486 
1 1 1  -17   20    5 o  279.862   10.176  212.191   15.390   0.0000   0.0000  212.191   15.390  ?   ?   279.862   10.176      ?      ? 
1 1 1  -17   20    6 o  206.958   10.696  115.280   10.593  113.982   12.349  118.896   20.607  205.058   11.145  208.857   18.259 -3.799164 21.39162 
1 1 1  -17   20    7 o  287.896   9.9253  224.525   15.441   0.0000   0.0000  224.525   15.441  ?   ?   287.896   9.9253      ?      ? 
1 1 1  -17   20    8 o  310.801   9.7685  261.659   16.406   0.0000   0.0000  261.659   16.406  ?   ?   310.801   9.7685      ?      ? 
1 1 1  -17   20    9 o  251.387   7.2926  171.265   9.9043  167.538   14.023  174.975   13.990  248.648   10.437  254.125   10.188 -5.476776 14.58524 
1 1 1  -17   20   10 o  377.484   12.700  386.712   25.905   0.0000   0.0000  386.712   25.905  ?   ?   377.484   12.700      ?      ? 
1 1 1  -17   20   11 o  311.579   12.820  263.513   21.584   0.0000   0.0000  263.513   21.584  ?   ?   311.579   12.820      ?      ? 
1 1 1  -17   20   12 o  374.147   8.8824  379.783   17.945  375.901   24.858  384.009   25.933  372.178   12.360  376.116   12.760 -3.938171 17.76472 
1 1 1  -17   20   13 o  129.227   13.468   44.970   9.2570   42.230   11.927   49.122   14.680  124.438   17.738  134.017   20.271 -9.579926 26.93613 
1 1 1  -17   20   14 o  373.467   9.0515  378.668   18.264  369.369   25.612  388.288   26.051  368.796   12.852  378.139   12.749 -9.342316 18.10290 
1 1 1  -17   20   15 o  263.883   9.1664  189.265   13.065  193.851   18.372  184.572   18.583  267.145   12.727  260.621   13.196 6.524261 18.33272 
1 1 1  -17   20   16 o  103.276   17.271   30.026   9.4769   24.955   12.623   36.577   14.346   93.433   24.647  113.118   24.202 -19.68412 34.54268 
1 1 1  -17   20   17 o  329.743   7.8409  295.282   13.421  294.595   22.312  295.672   16.801  329.230   12.541  330.257   9.4145 -1.026855 15.68178 
1 1 1  -17   20   18 o  142.412   10.998   54.093   8.2958   71.870   12.718   40.928   10.945  162.414   14.491  122.409   16.546 40.00560 21.99503 
1 1 1  -17   20   19 o  418.429   9.6325  474.893   21.780   0.0000   0.0000  474.893   21.780  ?   ?   418.429   9.6325      ?      ? 
1 1 1  -17   20   20 o  642.115   8.6846  1118.41   30.091  1063.58   41.244  1180.80   43.998  625.362   12.205  658.867   12.358 -33.50537 17.36913 
1 1 1  -17   20   21 o  101.998   21.049   30.423   12.372   24.077   19.775   34.505   15.858   94.928   32.264  109.068   27.042 -14.13965 42.09781 
1 1 1  -17   20   22 o  339.996   9.9550  315.925   18.166  310.811   27.196  320.045   24.410  337.303   14.921  342.690   13.182 -5.387543 19.90992 
1 1 1  -17   20   23 o  135.807   18.524   55.719   12.492   43.176   21.020   62.568   15.532  120.926   31.759  150.687   19.074 -29.76070 37.04712 
1 1 1  -17   20   24 o  189.136   11.961   97.487   12.224   97.487   12.224   0.0000   0.0000  189.136   11.961  ?   ?       ?      ? 
1 1 1  -17   20   25 o  310.029   6.7289  261.643   11.252  246.432   16.038  276.388   15.791  301.075   9.8582  318.983   9.1611 -17.90826 13.45773 
1 1 1  -17   20   26 o  205.682   7.6936  115.084   8.5400  116.785   12.433  113.565   11.750  207.086   11.111  204.278   10.645 2.808365 15.38723 
1 1 1  -17   20   27 o  224.536   11.103  137.346   13.471  137.346   13.471   0.0000   0.0000  224.536   11.103  ?   ?       ?      ? 
1 1 1  -17   20   28 o  215.063   7.4585  126.626   8.6219  114.405   12.382  138.129   12.013  204.829   11.187  225.297   9.8674 -20.46800 14.91695 
1 1 1  -17   20   29 o  256.046   6.9428  178.948   9.5823  166.919   13.678  190.542   13.428  247.491   10.228  264.602   9.3916 -17.11142 13.88556 
1 1 1  -17   20   30 o  134.754   10.284   50.480   7.3913   41.711   10.527   59.005   10.380  122.861   15.857  146.646   13.099 -23.78469 20.56750 
1 1 1  -17   20   31 o  247.654   6.9110  167.415   9.2364  162.183   13.270  172.332   12.864  243.827   10.072  251.480   9.4664 -7.653793 13.82206 
1 1 1  -17   20   32 o  144.419   9.6382   58.422   7.3470   51.608   11.261   63.472   9.6947  136.623   15.253  152.216   11.787 -15.59326 19.27640 
1 1 1  -17   20   33 o  142.718   9.4599   55.259   7.2086   68.830   10.877   44.630   9.6262  158.243   12.720  127.193   14.006 31.04965 18.91983 
1 1 1  -17   20   34 o  226.539   7.2484  142.061   8.7594  126.294   12.983  155.234   11.867  214.592   11.196  238.486   9.2087 -23.89319 14.49686 
1 1 1  -17   20   35 o  318.772   6.5207  278.199   11.209  264.891   16.105  290.703   15.611  311.223   9.5762  326.320   8.8530 -15.09708 13.04145 
1 1 1  -17   20   36 o   53.764   15.018   5.2591   6.4581   4.3115   9.3830   6.1121   8.9022   52.813   21.312   54.715   21.165 -1.901527 30.03598 
1 1 1  -17   20   37 o  184.714   7.9312   94.274   7.8131   91.502   11.954   96.342   10.323  182.038   12.152  187.389   10.195 -5.350464 15.86244 
1 1 1  -17   20   38 o  166.430   8.5457   77.265   7.6109   70.627   11.250   82.867   10.335  159.458   13.056  173.402   11.030 -13.94434 17.09149 
1 1 1  -17   20   39 o   57.010   15.190   6.6398   6.4286   12.070   10.068   2.9024   8.3529   65.861   22.995   48.160   19.853 17.70089 30.37971 
1 1 1  -17   20   40 o  150.628   8.8214   63.819   7.0275   59.266   10.886   67.073   9.2019  145.465   13.849  155.791   10.931 -10.32597 17.64282 
1 1 1  -17   20   41 o   67.106   15.333   13.290   6.7254   6.6367   10.284   18.262   8.8898   56.854   22.523   77.357   20.811 -20.50238 30.66584 
1 1 1  -17   20   42 o   65.910   15.025   12.774   6.6587   4.3003   10.380   18.699   8.6801   53.600   22.117   78.221   20.344 -24.62150 30.05092 
1 1 1  -17   20   43 o   50.155   14.599   2.2760   6.4112   8.3151   10.164  -1.7139   8.2619   58.869   22.659   41.442   18.415 17.42712 29.19850 
1 1 1  -17   20   44 o   64.947   14.847   12.315   6.6122   3.3151   10.075   19.125   8.7638   51.335   21.533   78.559   20.447 -27.22367 29.69429 
1 1 1  -17   20   45 o  151.553   9.1979   65.626   7.3983   60.752   11.308   69.273   9.7821  145.847   14.349  157.260   11.511 -11.41277 18.39578 
1 1 1  -17   20   46 o   68.488   15.934   14.608   6.8062   15.070   10.109   14.225   9.2048   69.360   23.067   67.617   21.988 1.742973 31.86780 
1 1 1  -17   20   47 o  208.092   7.4370  121.311   8.2601  117.633   12.587  124.093   10.947  204.745   11.377  211.438   9.5810 -6.692810 14.87403 
1 1 1  -17   20   48 o   81.942   15.061   20.864   6.8599   29.508   10.512   14.452   9.0533   96.397   20.792   67.487   21.794 28.90957 30.12127 
1 1 1  -17   20   49 o  101.016   13.201   32.627   6.7988   24.375   10.367   38.854   9.0060   86.264   22.131  115.768   14.396 -29.50469 26.40169 
1 1 1  -17   20   50 o  115.565   11.423   39.269   7.0525   44.980   11.032   35.323   9.1711  122.142   16.715  108.989   15.572 13.15244 22.84508 
1 1 1  -17   20   51 o  139.648   15.387   63.590   9.1923   63.108   19.129   63.735   10.482  131.174   27.847  148.122   13.096 -16.94832 30.77316 
1 1 1  -17   20   52 o  113.038   18.539   46.634   11.048   39.369   18.682   50.541   13.700   99.238   31.229  126.838   19.989 -27.59971 37.07881 
1 1 1  -17   20   53 o   96.656   19.476   34.632   10.165   41.982   17.965   31.171   12.329  100.295   30.464   93.017   24.271 7.277443 38.95105 
1 1 1  -17   20   54 o   67.255   15.058   12.936   7.0360   31.454   11.459   1.7291   8.9144   91.169   23.202   43.340   19.200 47.82872 30.11550 
1 1 1  -17   20   55 o   66.516   16.031   16.483   7.1234   12.052   11.557   19.198   9.0461   59.772   23.813   73.261   21.467 -13.48852 32.06118 
1 1 1  -17   20   56 o   42.259   13.763  -3.0481   7.2560   5.9668   11.276  -9.4197   9.4795   50.047   21.902   34.471   16.672 15.57515 27.52540 
1 1 1  -17   21    1 f  241.117   8.0745  156.720   10.348  152.416   13.388  163.108   16.309  237.110   10.449  245.124   12.313 -8.014450 16.14908 
1 1 1  -17   21    2 o  140.665   11.467   54.842   8.5459   60.456   11.422   47.703   12.880  149.121   14.175  132.209   18.029 16.91226 22.93420 
1 1 1  -17   21    3 o  247.996   8.6122  166.904   11.532  175.833   16.446  158.266   16.176  254.541   11.957  241.451   12.398 13.09033 17.22435 
1 1 1  -17   21    4 o  374.283   8.9108  371.849   17.776  433.108   28.121  331.081   22.941  399.317   13.032  349.250   12.156 50.06705 17.82154 
1 1 1  -17   21    5 o  323.473   12.075  284.009   21.107   0.0000   0.0000  284.009   21.107  ?   ?   323.473   12.075      ?      ? 
1 1 1  -17   21    6 o  128.117   18.624   44.842   12.893   44.842   12.893   0.0000   0.0000  128.117   18.624  ?   ?       ?      ? 
1 1 1  -17   21    7 o  556.458   15.265  843.018   45.899  843.018   45.899   0.0000   0.0000  556.458   15.265  ?   ?       ?      ? 
1 1 1  -17   21    8 o  173.065   11.091   82.548   10.247   93.333   14.143   70.631   14.866  185.238   14.129  160.892   17.099 24.34619 22.18123 
1 1 1  -17   21    9 o   57.743   16.968   2.4031   8.7083   3.0045   11.818   1.6885   12.881   57.430   23.637   58.057   24.350 -0.6269875 33.93615 
1 1 1  -17   21   10 o  544.693   10.669  808.221   31.402  808.333   44.236  808.108   44.585  544.748   15.028  544.637   15.149 0.1117554 21.33858 
1 1 1  -17   21   11 o  310.573   9.1014  261.957   15.263  255.405   21.104  269.144   22.102  306.525   12.741  314.622   13.000 -8.097137 18.20277 
1 1 1  -17   21   12 o  487.866   8.8130  651.142   22.302  631.757   36.865  662.333   28.009  481.674   14.164  494.059   10.491 -12.38477 17.62594 
1 1 1  -17   21   13 o  323.799   7.0649  283.949   12.347  294.047   17.994  274.963   16.974  329.215   10.115  318.384   9.8661 10.83072 14.12973 
1 1 1  -17   21   14 o  436.020   9.8233  515.732   23.145   0.0000   0.0000  515.732   23.145  ?   ?   436.020   9.8233      ?      ? 
1 1 1  -17   21   15 o  287.066   9.7430  223.567   15.113   0.0000   0.0000  223.567   15.113  ?   ?   287.066   9.7430      ?      ? 
1 1 1  -17   21   16 o  182.108   8.8809   89.974   8.7241   94.753   12.808   85.838   11.916  186.591   12.703  177.625   12.415 8.965897 17.76183 
1 1 1  -17   21   17 o  255.253   7.2630  177.701   9.9725  163.726   14.395  190.597   13.828  245.487   10.852  265.019   9.6561 -19.53204 14.52593 
1 1 1  -17   21   18 o  444.164   9.9617  535.650   23.909   0.0000   0.0000  535.650   23.909  ?   ?   444.164   9.9617      ?      ? 
1 1 1  -17   21   19 o  602.330   12.143  988.173   39.372  905.630   52.994  1089.86   58.820  574.521   17.070  630.140   17.274 -55.61865 24.28552 
1 1 1  -17   21   20 o  310.132   11.016  263.513   18.167  263.513   28.317  263.513   23.683  309.748   16.918  310.517   14.114 -0.7693787 22.03262 
1 1 1  -17   21   21 o  202.426   13.450  111.808   14.172  118.423   23.711  108.131   17.678  206.472   21.252  198.379   16.491 8.093231 26.89985 
1 1 1  -17   21   22 o  134.054   11.039   48.774   7.7599   67.017   11.660   34.270   10.397  156.543   13.784  111.564   17.246 44.97834 22.07738 
1 1 1  -17   21   23 o  202.421   7.9355  110.998   8.6238  116.719   13.084  106.604   11.467  206.937   11.701  197.905   10.722 9.032211 15.87098 
1 1 1  -17   21   24 o  196.667   8.0271  105.405   8.5304  105.852   12.102  104.964   12.026  197.080   11.364  196.255   11.340 0.8248901 16.05414 
1 1 1  -17   21   25 o  295.230   9.3456  237.002   14.909   0.0000   0.0000  237.002   14.909  ?   ?   295.230   9.3456      ?      ? 
1 1 1  -17   21   26 o  459.339   9.9489  574.612   24.694   0.0000   0.0000  574.612   24.694  ?   ?   459.339   9.9489      ?      ? 
1 1 1  -17   21   27 o  115.291   11.932   36.970   7.3893   35.062   10.881   38.603   10.067  112.338   17.924  118.245   15.755 -5.907021 23.86433 
1 1 1  -17   21   28 o  104.237   13.498   30.739   7.4172   35.472   10.799   26.512   10.205  112.937   17.696   95.538   20.388 17.39825 26.99679 
1 1 1  -17   21   29 o  340.929   6.7708  316.815   12.454  317.477   18.141  316.226   17.127  341.181   9.8398  340.677   9.3035 0.5039368 13.54166 
1 1 1  -17   21   30 o  327.270   6.6445  292.267   11.715  288.400   17.183  295.627   16.015  325.122   9.7804  329.417   8.9968 -4.294891 13.28904 
1 1 1  -17   21   31 o  175.302   8.2902   84.465   7.8194   82.281   11.517   86.332   10.650  173.059   12.316  177.545   11.101 -4.485062 16.58049 
1 1 1  -17   21   32 o  113.277   12.218   35.468   7.4275   41.230   11.269   31.042   9.8760  121.321   17.190  105.232   17.368 16.08924 24.43645 
1 1 1  -17   21   33 o  150.439   9.1804   61.624   7.3890   69.009   11.475   56.392   9.6577  157.905   13.448  142.974   12.501 14.93083 18.36077 
1 1 1  -17   21   34 o   73.810   14.943   14.939   6.7017   24.624   10.024   7.1104   9.0120   91.069   20.822   56.550   21.439 34.51894 29.88636 
1 1 1  -17   21   35 o  110.976   12.234   36.248   6.9121   28.805   10.370   42.200   9.2725   98.753   20.115  123.198   13.929 -24.44422 24.46706 
1 1 1  -17   21   36 o  137.801   12.617   52.654   9.3947   0.0000   0.0000   52.654   9.3947  ?   ?   137.801   12.617      ?      ? 
1 1 1  -17   21   37 o  283.469   6.7964  220.085   10.348  226.781   15.603  214.827   13.827  287.083   10.058  279.854   9.1435 7.228760 13.59284 
1 1 1  -17   21   38 o  224.357   7.2231  139.572   8.6675  131.546   12.993  146.007   11.635  218.150   11.022  230.564   9.3384 -12.41383 14.44624 
1 1 1  -17   21   39 o   57.758   15.387   7.5250   6.6440   11.766   9.8539   3.9898   8.9965   64.710   22.740   50.806   20.734 13.90340 30.77364 
1 1 1  -17   21   40 o   54.638   14.492   5.7856   6.4955  -3.5564   9.9401   12.748   8.5811   43.689   19.742   65.586   21.222 -21.89672 28.98498 
1 1 1  -17   21   41 o  135.765   9.9050   51.918   7.2158   53.190   10.914   50.930   9.6178  136.919   14.751  134.612   13.222 2.306656 19.80990 
1 1 1  -17   21   42 o  176.170   8.2692   84.209   7.7524  103.074   12.318   71.835   9.9759  191.938   11.877  160.402   11.509 31.53627 16.53843 
1 1 1  -17   21   43 o   80.080   15.597   20.155   6.9142   21.342   10.555   19.262   9.1508   81.763   22.951   78.397   21.124 3.366005 31.19302 
1 1 1  -17   21   44 o   57.841   15.508   8.6564   6.6285   9.6461   10.010   7.8836   8.8458   59.944   22.626   55.737   21.214 4.207054 31.01582 
1 1 1  -17   21   45 o  184.120   8.0576   93.027   7.9238  110.398   12.394   81.018   10.305  198.228   11.571  170.011   11.217 28.21748 16.11521 
1 1 1  -17   21   46 o  103.359   13.263   32.799   7.1224   29.807   10.775   35.121   9.4915   97.034   21.148  109.684   16.014 -12.65072 26.52696 
1 1 1  -17   21   47 o   91.942   14.605   27.099   7.0347   26.138   10.687   27.833   9.3447   89.371   22.223   94.512   18.957 -5.140869 29.21015 
1 1 1  -17   21   48 o  105.804   13.468   34.395   7.3668   48.132   10.982   23.157   9.9332  127.615   15.925   83.994   21.723 43.62117 26.93528 
1 1 1  -17   21   49 o  113.689   12.813   41.233   7.4070   34.634   11.288   46.223   9.8160  102.355   21.110  125.023   14.530 -22.66764 25.62672 
1 1 1  -17   21   50 o   57.546   17.948   2.0551   10.316   13.782   17.951  -3.7275   12.606   68.215   28.685   46.876   21.579 21.33902 35.89565 
1 1 1  -17   21   51 o   63.737   18.410   10.893   10.733  -2.9167   18.779   17.592   13.079   56.121   26.012   71.354   26.059 -15.23227 36.82010 
1 1 1  -17   21   52 o   83.678   17.442   27.275   8.5347   22.921   11.999   31.734   12.142   75.939   25.125   91.417   24.200 -15.47847 34.88385 
1 1 1  -17   21   53 o  122.549   11.651   47.044   7.4857   47.488   12.051   46.765   9.5518  120.839   18.456  124.259   14.226 -3.419617 23.30235 
1 1 1  -17   21   54 o   70.250   16.606   18.080   7.3210   25.264   11.834   13.626   9.3181   79.334   24.837   61.166   22.048 18.16841 33.21108 
1 1 1  -17   22    1 o  141.374   10.785   53.428   8.1290   67.523   12.438   42.919   10.740  157.376   14.626  125.372   15.854 32.00400 21.56974 
1 1 1  -17   22    2 o  221.348   8.2917  128.967   9.7416  156.622   15.679  111.581   12.432  240.027   12.089  202.669   11.352 37.35773 16.58331 
1 1 1  -17   22    3 f  185.833   9.0119   96.232   8.8145   80.631   13.362  108.251   11.728  172.001   14.377  199.666   10.870 -27.66476 18.02379 
1 1 1  -17   22    4 o  274.183   7.7254  204.375   11.139  203.131   17.918  205.158   14.220  273.341   12.131  275.025   9.5686 -1.684052 15.45080 
1 1 1  -17   22    5 o  298.453   10.415  247.509   13.833  234.685   29.273  251.197   15.696  292.585   18.515  304.322   9.5450 -11.73721 20.83099 
1 1 1  -17   22    6 o  428.315   17.249  502.027   39.923  502.027   39.923   0.0000   0.0000  428.315   17.249  ?   ?       ?      ? 
1 1 1  -17   22    7 f  188.430   11.345   94.855   10.380   92.203   12.164  101.959   19.907  184.132   12.225  192.727   19.115 -8.595276 22.69017 
1 1 1  -17   22    8 o  278.803   16.763  212.635   25.254   0.0000   0.0000  212.635   25.254  ?   ?   278.803   16.763      ?      ? 
1 1 1  -17   22    9 o  108.946   13.632   33.514   7.7485   39.883   10.906   27.021   11.011  120.736   16.716   97.157   21.539 23.57937 27.26414 
1 1 1  -17   22   10 o   47.859   14.672  -1.2253   7.0202   0.1746   9.4915  -2.9162   10.431   48.468   20.641   47.251   20.858 1.216820 29.34494 
1 1 1  -17   22   11 o  352.023   9.7579  336.324   18.562   0.0000   0.0000  336.324   18.562  ?   ?   352.023   9.7579      ?      ? 
1 1 1  -17   22   12 o  105.195   14.278   31.580   7.8710   25.582   11.450   36.955   10.838   94.284   22.738  116.105   17.274 -21.82051 28.55541 
1 1 1  -17   22   14 o  184.214   8.9916   92.491   8.9406   92.269   12.942   92.695   12.366  183.964   13.019  184.464   12.406 -0.5007172 17.98315 
1 1 1  -17   22   15 o  117.992   12.564   38.341   7.9972   37.226   11.539   39.371   11.094  116.268   18.366  119.716   17.149 -3.448174 25.12771 
1 1 1  -17   22   16 o  228.951   11.907  162.717   12.098  109.662   23.138  182.678   14.192  198.683   21.552  259.218   10.132 -60.53488 23.81463 
1 1 1  -17   22   17 o  165.385   18.197   86.102   14.350   43.198   21.301  121.757   19.418  120.421   32.136  210.350   17.083 -89.92913 36.39493 
1 1 1  -17   22   18 o  105.599   22.145   32.730   13.156   30.495   22.760   33.851   16.122  103.860   34.614  107.338   27.631 -3.477295 44.29028 
1 1 1  -17   22   19 o  308.025   8.9492  259.673   14.141  261.213   17.482  256.757   24.054  309.851   10.441  306.199   14.538 3.652344 17.89845 
1 1 1  -17   22   20 o  303.173   9.5411  249.832   15.631   0.0000   0.0000  249.832   15.631  ?   ?   303.173   9.5411      ?      ? 
1 1 1  -17   22   21 o  173.898   8.7967   82.744   8.2253   72.735   11.542   93.073   11.725  163.091   13.097  184.706   11.747 -21.61411 17.59332 
1 1 1  -17   22   22 o  144.193   10.023   56.195   7.7376   68.114   11.700   46.929   10.316  157.650   13.734  130.736   14.602 26.91342 20.04597 
1 1 1  -17   22   23 o  245.159   9.9751  163.725   13.215   0.0000   0.0000  163.725   13.215  ?   ?   245.159   9.9751      ?      ? 
1 1 1  -17   22   24 o   75.902   16.087   16.448   7.2081   13.056   10.206   19.823   10.182   69.366   23.180   82.438   22.312 -13.07183 32.17383 
1 1 1  -17   22   25 o   70.037   16.291   13.479   7.1790   11.496   10.287   15.361   10.023   66.564   23.244   73.511   22.832 -6.947464 32.58210 
1 1 1  -17   22   26 o  236.936   7.2133  153.918   9.1913  140.746   13.234  166.192   12.775  226.956   10.791  246.915   9.5746 -19.95889 14.42651 
1 1 1  -17   22   27 o  191.160   8.1387  100.587   8.3520   88.426   11.901  112.391   11.724  179.541   12.267  202.779   10.700 -23.23807 16.27743 
1 1 1  -17   22   28 o  116.608   11.569   37.819   7.2850   36.507   10.337   39.113   10.268  114.529   16.703  118.687   16.011 -4.158134 23.13746 
1 1 1  -17   22   29 o  226.039   7.4835  140.407   9.0006  110.544   12.497  172.589   12.974  200.695   11.524  251.383   9.5508 -50.68738 14.96698 
1 1 1  -17   22   30 o  330.665   6.7379  299.234   12.026  285.947   17.119  312.179   16.897  323.299   9.7993  338.031   9.2506 -14.73184 13.47586 
1 1 1  -17   22   31 o   62.751   14.766   7.2729   6.9075   20.405   10.237  -3.7027   9.3590   82.660   22.373   42.843   19.276 39.81694 29.53174 
1 1 1  -17   22   32 o   86.356   14.868   22.862   7.0113   15.910   10.511   28.436   9.4112   73.850   23.445   98.861   18.291 -25.01175 29.73551 
1 1 1  -17   22   33 o  163.337   9.1980   75.209   7.9617   60.801   11.538   88.307   11.001  147.658   14.460  179.017   11.372 -31.35863 18.39607 
1 1 1  -17   22   34 o  247.226   9.5444  167.692   12.751   0.0000   0.0000  167.692   12.751  ?   ?   247.226   9.5444      ?      ? 
1 1 1  -17   22   35 o   65.796   15.137   11.208   7.0677   0.5200   10.353   20.537   9.6724   49.349   21.295   82.243   21.517 -32.89434 30.27315 
1 1 1  -17   22   36 o   65.950   16.064   12.334   6.9661   10.579   10.392   13.767   9.3878   63.462   23.220   68.438   22.203 -4.976696 32.12727 
1 1 1  -17   22   37 o  217.908   7.2997  131.249   8.5498  130.327   12.734  132.005   11.537  216.955   10.862  218.860   9.7554 -1.904633 14.59938 
1 1 1  -17   22   38 o   74.048   11.895   15.203   6.6971  -9.9552   10.289   33.696   8.8216   39.106   18.483  108.990   14.979 -69.88335 23.79066 
1 1 1  -17   22   39 o   79.150   15.484   19.075   6.8289   22.793   10.381   16.238   9.0672   85.538   22.248   72.762   21.540 12.77676 30.96719 
1 1 1  -17   22   40 o   48.057   14.529   1.0739   6.8275  -2.7033   9.8515   4.5648   9.4708   44.077   19.809   52.037   21.259 -7.960106 29.05781 
1 1 1  -17   22   41 o  107.891   12.381   33.811   6.9726   42.119   10.580   27.432   9.2707  120.669   16.226   95.113   18.705 25.55664 24.76155 
1 1 1  -17   22   42 o   40.112   12.988  -5.6728   6.6414 -14.7351   10.570   0.2381   8.5369   36.206   17.534   44.018   19.166 -7.811810 25.97608 
1 1 1  -17   22   43 f   35.943   12.160 -11.5726   6.8059 -17.4465   10.214  -6.8814   9.1276   33.778   16.550   38.108   17.821 -4.329491 24.32012 
1 1 1  -17   22   44 o  186.733   8.4743  100.565   8.3249   84.112   12.562  113.448   11.116  171.719   13.538  201.747   10.197 -30.02797 16.94866 
1 1 1  -17   22   45 f   82.345   15.657   21.133   7.2729   30.966   11.300   14.179   9.5031   97.853   21.915   66.837   22.368 31.01611 31.31397 
1 1 1  -17   22   46 o   46.686   14.322   0.4761   6.9751  -6.2682   10.815   5.2794   9.1270   42.086   19.586   51.285   20.901 -9.198978 28.64404 
1 1 1  -17   22   47 o   37.546   12.539 -10.0003   7.0429 -20.8899   10.721  -1.7325   9.3415   32.652   16.178   42.439   19.161 -9.786903 25.07732 
1 1 1  -17   22   48 o   99.279   18.901   33.226   9.0203   42.793   19.713   30.692   10.145  101.218   32.105   97.341   19.957 3.876358 37.80204 
1 1 1  -17   22   49 o   81.981   20.254   25.719   11.196   20.232   19.539   28.401   13.661   75.436   30.644   88.527   26.493 -13.09154 40.50829 
1 1 1  -17   22   50 o   65.239   18.868   13.713   10.754   5.9459   19.035   17.354   13.033   60.907   27.439   69.571   25.906 -8.664551 37.73617 
1 1 1  -17   22   51 o   43.506   13.964   0.2548   7.0784  -0.0555   10.789   0.4893   9.3792   44.330   20.241   42.682   19.242 1.648769 27.92727 
1 1 1  -17   22   52 o   73.743   16.377   18.980   7.4589   28.640   11.660   12.289   9.7045   87.576   23.949   59.910   22.346 27.66642 32.75476 
1 1 1  -17   22   53 o   62.958   17.704   13.674   9.1913   5.1218   11.753   27.140   14.748   49.870   22.071   76.047   27.687 -26.17714 35.40793 
1 1 1  -17   23    1 o  138.721   10.055   52.528   7.5254   48.553   10.482   56.755   10.810  133.273   14.555  144.168   13.877 -10.89502 20.11010 
1 1 1  -17   23    2 o  246.045   10.230  164.510   13.601   0.0000   0.0000  164.510   13.601  ?   ?   246.045   10.230      ?      ? 
1 1 1  -17   23    3 o  311.219   6.9148  263.389   11.614  250.483   16.528  275.977   16.323  303.629   10.074  318.809   9.4751 -15.17999 13.82968 
1 1 1  -17   23    4 o  180.701   8.7787   88.941   8.5700   86.885   11.972   91.103   12.273  178.560   12.408  182.842   12.422 -4.281342 17.55739 
1 1 1  -17   23    5 o  227.442   10.653  140.661   13.093   0.0000   0.0000  140.661   13.093  ?   ?   227.442   10.653      ?      ? 
1 1 1  -17   23    6 o  351.630   9.9306  353.843   16.648  302.703   30.939  374.685   19.751  331.896   17.251  371.365   9.8426 -39.46863 19.86126 
1 1 1  -17   23    7 o  305.918   10.842  270.559   14.590  231.531   30.464  282.175   16.620  289.528   19.472  322.308   9.5426 -32.78006 21.68439 
1 1 1  -17   23    8 o  255.520   9.8723  160.585   11.951  143.757   13.614  217.117   24.954  229.837   10.962  281.202   16.422 -51.36555 19.74452 
1 1 1  -17   23    9 o  137.968   16.074   57.947   9.8669   62.271   11.520   46.036   19.118  150.890   14.129  125.046   28.876 25.84343 32.14719 
1 1 1  -17   23   10 o  216.081   8.0589  127.183   9.4049  127.185   13.519  127.182   13.092  216.054   11.580  216.109   11.211 -0.5410767E-01 16.11773 
1 1 1  -17   23   11 o  261.385   10.109  185.800   14.278   0.0000   0.0000  185.800   14.278  ?   ?   261.385   10.109      ?      ? 
1 1 1  -17   23   12 o  153.635   10.001   65.084   8.2022   53.541   11.594   76.650   11.605  139.718   15.356  167.552   12.818 -27.83401 20.00295 
1 1 1  -17   23   13 o  219.197   10.982  130.818   13.008   0.0000   0.0000  130.818   13.008  ?   ?   219.197   10.982      ?      ? 
1 1 1  -17   23   14 o   90.019   22.025   21.972   13.399   9.0991   23.190   28.423   16.417   81.238   33.236   98.800   28.911 -17.56196 44.05064 
1 1 1  -17   23   15 o   97.604   21.794   23.601   13.234   42.523   21.413   11.908   16.834  119.306   32.385   75.902   29.174 43.40328 43.58808 
1 1 1  -17   23   16 o   56.084   18.347 -14.7113   12.532  -5.5541   20.811 -19.9212   15.697   65.571   29.177   46.598   22.253 18.97303 36.69473 
1 1 1  -17   23   17 o   96.951   15.375   26.881   8.1521   17.878   11.372   36.397   11.692   79.326   24.268  114.577   18.885 -35.25148 30.75017 
1 1 1  -17   23   18 o  252.857   10.057  174.109   13.741   0.0000   0.0000  174.109   13.741  ?   ?   252.857   10.057      ?      ? 
1 1 1  -17   23   19 o   79.605   15.803   18.262   7.4576   10.376   10.765   25.540   10.341   65.416   23.679   93.795   20.934 -28.37901 31.60633 
1 1 1  -17   23   20 o  147.179   14.189   59.571   11.284   0.0000   0.0000   59.571   11.284  ?   ?   147.179   14.189      ?      ? 
1 1 1  -17   23   21 o  135.942   10.534   50.878   7.7306   54.088   11.166   47.923   10.714  140.080   14.751  131.805   15.043 8.275681 21.06841 
1 1 1  -17   23   22 o  155.503   9.7884   67.942   8.0327   53.526   11.680   80.879   11.065  139.154   15.533  171.853   11.915 -32.69960 19.57684 
1 1 1  -17   23   23 o  113.033   12.748   36.360   7.4920   29.362   10.528   43.539   10.664  100.651   20.062  125.415   15.735 -24.76344 25.49633 
1 1 1  -17   23   24 o  136.066   10.149   51.065   7.4437   51.338   10.928   50.829   10.168  136.308   14.836  135.824   13.853 0.4837646 20.29809 
1 1 1  -17   23   25 o   73.116   15.955   14.711   7.1196   20.864   10.555   9.5737   9.6442   84.078   22.700   62.154   22.426 21.92488 31.90985 
1 1 1  -17   23   26 o  103.144   13.305   30.559   7.2256   33.671   10.121   27.324   10.319  109.740   17.067   96.549   20.417 13.19066 26.61096 
1 1 1  -17   23   27 f  104.344   13.149   31.207   7.2496   30.305   10.423   32.053   10.090  101.873   19.645  106.816   17.482 -4.942360 26.29732 
1 1 1  -17   23   28 o  205.283   7.8686  116.397   8.6520   98.854   12.224  134.006   12.247  189.442   11.941  221.124   10.250 -31.68217 15.73714 
1 1 1  -17   23   29 o   58.256   15.690   7.3574   6.9089   5.0223   9.8526   9.6165   9.6908   54.717   21.924   61.796   22.452 -7.079124 31.38063 
1 1 1  -17   23   30 o  146.340   9.9646   59.832   7.8418   55.881   11.396   63.384   10.807  141.482   14.907  151.199   13.227 -9.716812 19.92914 
1 1 1  -17   23   31 o  254.828   9.7314  178.141   13.400   0.0000   0.0000  178.141   13.400  ?   ?   254.828   9.7314      ?      ? 
1 1 1  -17   23   32 o  239.564   7.2187  158.420   9.3127  145.667   13.300  170.687   13.044  229.857   10.708  249.271   9.6841 -19.41354 14.43740 
1 1 1  -17   23   33 o  138.942   10.319   54.082   7.6617   65.391   11.176   44.053   10.524  152.990   13.519  124.894   15.594 28.09557 20.63790 
1 1 1  -17   23   34 o  196.160   8.0556  107.041   8.4854  101.998   12.535  111.308   11.529  191.561   12.109  200.758   10.627 -9.197800 16.11123 
1 1 1  -17   23   35 o   97.847   13.914   28.210   7.2167   35.374   10.685   22.200   9.7863  110.684   17.865   85.010   21.337 25.67417 27.82829 
1 1 1  -17   23   36 o  164.332   8.7615   75.947   7.6906   71.691   11.585   79.301   10.284  159.716   13.423  168.947   11.264 -9.231201 17.52301 
1 1 1  -17   23   37 o  199.713   7.8724  110.674   8.4019  112.164   12.902  109.577   11.071  200.474   11.910  198.951   10.298 1.523041 15.74482 
1 1 1  -17   23   38 o  305.810   6.8178  259.392   11.229  243.938   16.212  273.641   15.567  296.678   10.113  314.942   9.1469 -18.26401 13.63570 
1 1 1  -17   23   39 o  106.655   13.341   34.595   7.3697   30.429   11.092   37.886   9.8607   98.737   21.407  114.572   15.927 -15.83565 26.68208 
1 1 1  -17   23   40 o  107.070   13.088   34.624   7.3314   32.186   10.834   36.683   9.9580  101.895   20.388  112.244   16.418 -10.34862 26.17644 
1 1 1  -17   23   41 o   81.824   15.427   20.296   7.0108   29.263   11.068   14.287   9.0603   95.945   21.838   67.703   21.796 28.24203 30.85427 
1 1 1  -17   23   42 o  165.106   9.2762   77.671   8.1725   76.102   12.491   78.845   10.806  162.955   14.186  167.258   11.957 -4.302826 18.55236 
1 1 1  -17   23   43 o  101.111   14.309   32.214   7.4690   31.940   11.457   32.416   9.8499   99.523   21.897  102.698   18.426 -3.174538 28.61878 
1 1 1  -17   23   44 o   45.109   14.272  -1.5470   7.2131  -4.5960   10.535   1.1439   9.8967   42.904   19.742   47.314   20.617 -4.409920 28.54484 
1 1 1  -17   23   45 o  139.851   10.429   56.222   7.7919   68.596   12.060   47.357   10.209  152.882   14.598  126.820   14.897 26.06215 20.85728 
1 1 1  -17   23   46 o   38.697   13.032 -11.6172   7.4654  -2.0895   11.342 -18.9000   9.9162   45.739   20.833   31.655   15.661 14.08453 26.06342 
1 1 1  -17   23   47 o   84.628   20.225   27.422   10.924   24.437   19.303   28.829   13.251   79.663   31.068   89.594   25.904 -9.930397 40.45042 
1 1 1  -17   23   48 o   63.102   17.731   7.8117   11.179 -20.2950   18.822   23.131   13.896   47.087   22.939   79.117   27.045 -32.03017 35.46297 
1 1 1  -17   23   49 o   39.529   13.156  -6.3578   7.4789 -14.4756   11.410  -0.2425   9.9030   35.949   17.588   43.108   19.570 -7.159534 26.31167 
1 1 1  -17   23   50 o  169.211   9.7592   86.942   8.6959   80.727   13.532   91.313   11.349  161.801   15.478  176.621   11.892 -14.81961 19.51847 
1 1 1  -17   23   51 o   68.583   16.190   18.162   7.9025   7.8991   12.006   26.007   10.497   53.889   23.089   83.276   22.703 -29.38765 32.38055 
1 1 1  -17   24    1 o  252.669   9.9795  173.621   13.625   0.0000   0.0000  173.621   13.625  ?   ?   252.669   9.9795      ?      ? 
1 1 1  -17   24    2 o   91.315   14.102   23.579   6.9989   15.172   9.6667   32.840   10.147   73.438   22.356  109.192   17.197 -35.75352 28.20466 
1 1 1  -17   24    3 o  105.445   13.781   31.677   7.5867   39.727   10.797   23.825   10.663  120.170   16.627   90.720   21.982 29.44950 27.56211 
1 1 1  -17   24    4 o  301.284   9.7196  246.782   15.824   0.0000   0.0000  246.782   15.824  ?   ?   301.284   9.7196      ?      ? 
1 1 1  -17   24    5 o  119.720   12.367   39.496   7.9969   38.962   11.116   40.069   11.513  118.907   17.300  120.533   17.677 -1.625465 24.73372 
1 1 1  -17   24    6 o  292.221   7.0925  231.999   11.190  238.710   16.241  225.934   15.439  296.216   10.146  288.225   9.9129 7.990875 14.18508 
1 1 1  -17   24    7 o  264.899   11.320  197.650   12.965  184.820   28.363  201.039   14.577  257.929   20.350  271.868   9.9224 -13.93918 22.64011 
1 1 1  -17   24    8 o  305.253   11.392  280.325   15.514  212.252   30.586  303.907   18.002  276.277   20.488  334.230   9.9675 -57.95239 22.78362 
1 1 1  -17   24    9 o   81.145   18.980   14.285   8.5449   10.234   9.7237   28.018   17.904   64.014   22.581   98.275   30.514 -34.26158 37.96085 
1 1 1  -17   24   10 o  181.972   12.804   92.346   10.964   93.138   12.743   90.090   21.511  184.562   12.777  179.382   22.192 5.179504 25.60731 
1 1 1  -17   24   11 o   68.169   20.563  -0.1664   13.986 -14.8626   21.822   10.079   18.220   61.041   28.203   75.296   29.931 -14.25539 41.12542 
1 1 1  -17   24   12 o   72.128   21.489   3.2807   13.911   9.4797   22.713  -0.4408   17.598   80.345   32.884   63.911   27.671 16.43394 42.97717 
1 1 1  -17   24   13 o  165.698   19.492   87.003   15.737   51.396   24.113  113.423   20.771  129.503   34.017  201.894   19.039 -72.39116 38.98299 
1 1 1  -17   24   14 o   90.830   18.491   18.457   9.3148   9.8227   10.959   40.923   17.679   64.726   23.822  116.933   28.287 -52.20720 36.98104 
1 1 1  -17   24   15 o  183.770   8.6238   92.652   8.4817  109.437   12.187   76.885   11.812  200.122   11.270  167.417   13.057 32.70528 17.24763 
1 1 1  -17   24   16 o  431.163   10.064  506.985   23.449   0.0000   0.0000  506.985   23.449  ?   ?   431.163   10.064      ?      ? 
1 1 1  -17   24   17 o  286.088   9.8708  223.178   15.260   0.0000   0.0000  223.178   15.260  ?   ?   286.088   9.8708      ?      ? 
1 1 1  -17   24   18 o  136.694   10.291   51.444   7.5955   49.394   10.495   53.698   11.007  133.848   14.510  139.541   14.597 -5.692245 20.58222 
1 1 1  -17   24   19 o  110.047   13.269   34.168   7.6679   40.192   11.262   28.962   10.470  120.174   17.343   99.921   20.087 20.25271 26.53766 
1 1 1  -17   24   20 o   67.248   15.710   9.6472   7.5133   21.735   11.089  -0.6126   10.216   85.847   23.305   48.649   21.073 37.19751 31.42015 
1 1 1  -17   24   21 o   44.236   13.816  -5.1635   6.8724 -12.9346   9.5462   3.1972   9.9016   35.803   17.166   52.669   21.652 -16.86603 27.63143 
1 1 1  -17   24   22 o   81.977   15.816   19.812   7.2100   21.550   10.346   18.171   10.053   85.323   22.221   78.631   22.513 6.692337 31.63222 
1 1 1  -17   24   23 o   97.206   14.083   27.846   7.2560   20.094   10.405   35.185   10.124   82.250   22.678  112.161   16.704 -29.91102 28.16596 
1 1 1  -17   24   24 o   60.634   15.007   4.8302   7.1993   19.284   10.783  -6.7947   9.6703   80.526   23.392   40.741   18.807 39.78456 30.01487 
1 1 1  -17   24   25 o  248.443   7.4560  169.986   9.9613  160.939   14.572  177.923   13.648  241.994   11.143  254.893   9.9091 -12.89920 14.91199 
1 1 1  -17   24   26 o  135.320   10.696   51.195   7.7960   46.639   11.027   55.749   11.024  129.090   15.808  141.550   14.412 -12.45998 21.39158 
1 1 1  -17   24   27 o  150.260   9.7708   62.752   7.9328   61.675   11.195   63.838   11.243  148.937   13.910  151.583   13.726 -2.645203 19.54168 
1 1 1  -17   24   28 o  193.961   8.0642  104.054   8.4269   98.681   12.178  108.991   11.673  188.957   11.927  198.965   10.857 -10.00789 16.12838 
1 1 1  -17   24   29 o  124.732   11.103   44.036   7.4313   42.040   11.013   45.705   10.069  121.772   16.737  127.692   14.593 -5.919640 22.20529 
1 1 1  -17   24   30 o   90.536   15.200   24.827   7.3096   25.707   10.761   24.073   9.9598   91.863   21.974   89.208   21.008 2.654274 30.40101 
1 1 1  -17   24   31 o  140.028   10.200   55.099   7.6922   55.006   11.335   55.178   10.473  139.694   15.017  140.362   13.807 -0.6684418 20.39956 
1 1 1  -17   24   32 o  171.484   8.7669   82.439   8.0721   73.624   11.581   90.769   11.258  162.156   13.216  180.811   11.522 -18.65508 17.53376 
1 1 1  -17   24   33 o   51.915   15.316   3.1794   7.2165   0.5946   10.498   5.4952   9.9365   49.310   21.361   54.520   21.956 -5.209488 30.63255 
1 1 1  -17   24   34 o  169.134   8.9632   80.421   8.1538   74.799   11.811   85.539   11.270  163.115   13.400  175.153   11.908 -12.03738 17.92643 
1 1 1  -17   24   35 f  199.227   8.1577  110.496   8.7675  113.410   12.837  107.949   12.003  201.550   11.787  196.904   11.281 4.646149 16.31547 
1 1 1  -17   24   36 o  214.719   7.7962  128.486   8.9767  128.302   13.538  128.631   11.992  214.171   11.698  215.266   10.309 -1.095047 15.59249 
1 1 1  -17   24   37 o  195.673   8.1448  106.662   8.5862  114.220   12.761  100.409   11.607  201.867   11.698  189.479   11.336 12.38878 16.28958 
1 1 1  -17   24   38 o  108.803   13.202   36.027   7.4766   31.418   10.960   40.039   10.226  100.246   20.909  117.361   16.124 -17.11543 26.40399 
1 1 1  -17   24   39 o  181.336   8.8455   91.288   8.5792  111.208   13.115   76.386   11.343  198.493   12.227  164.179   12.786 34.31422 17.69110 
1 1 1  -17   24   40 o  144.180   10.453   60.593   7.9354   56.118   12.396   63.700   10.329  138.468   16.567  149.893   12.753 -11.42517 20.90676 
1 1 1  -17   24   41 o  171.861   9.0761   83.640   8.3755   89.868   12.728   78.883   11.123  177.126   13.298  166.595   12.356 10.53075 18.15224 
1 1 1  -17   24   42 o   75.752   16.676   19.060   7.5441   19.565   11.044   18.619   10.330   76.475   24.002   75.030   23.159 1.444778 33.35290 
1 1 1  -17   24   43 o   93.675   15.830   29.064   7.8091   30.576   12.211   28.018   10.158   94.517   23.896   92.834   20.769 1.682526 31.65955 
1 1 1  -17   24   44 o   79.858   17.764   22.264   8.5681   29.447   13.273   17.132   11.219   89.595   25.931   70.122   24.286 19.47327 35.52768 
1 1 1  -17   24   45 o   49.033   16.524  -9.5171   10.913  -6.8086   19.978 -10.6689   13.028   55.228   25.997   42.838   20.406 12.39005 33.04893 
1 1 1  -17   24   46 o   51.246   17.070  -6.6889   11.583  -8.7297   20.231  -5.6937   14.128   54.504   25.808   47.987   22.350 6.516769 34.14096 
1 1 1  -17   24   47 o  117.759   15.783   48.656   9.7193   35.662   13.370   63.221   14.154   96.314   25.345  139.205   18.817 -42.89165 31.56635 
1 1 1  -17   24   48 o   55.292   16.180   9.2969   7.8865   8.3143   11.885   10.070   10.542   54.591   23.169   55.992   22.592 -1.401260 32.35989 
1 1 1  -17   24   49 o  143.054   12.553   69.001   8.6269   47.069   13.161   85.522   11.423  115.877   21.820  170.231   12.418 -54.35452 25.10591 
1 1 1  -17   24   50 o   76.459   17.904   24.274   10.542   4.6847   14.933   43.739   14.886   51.860   23.730  101.059   26.815 -49.19946 35.80729 
1 1 1  -17   25    1 o   58.647   15.176   5.3317   6.9156  -2.7932   9.3808   15.004   10.235   44.275   19.651   73.019   23.131 -28.74394 30.35124 
1 1 1  -17   25    3 o   75.664   15.513   15.161   7.2241   6.5850   9.7362   25.665   10.775   57.589   22.174   93.738   21.701 -36.14914 31.02626 
1 1 1  -17   25    4 o  142.689   9.9450   55.756   7.6510   52.385   10.409   59.719   11.284  138.035   13.955  147.342   14.173 -9.307114 19.88997 
1 1 1  -17   25    5 o  323.598   7.1871  285.444   12.546  263.128   17.519  308.936   17.975  310.539   10.440  336.657   9.8807 -26.11890 14.37423 
1 1 1  -17   25    6 o  235.330   7.8535  151.511   9.9545  166.665   14.159  136.699   13.998  247.098   10.604  223.563   11.587 23.53488 15.70696 
1 1 1  -17   25    7 f  101.993   21.154   26.175   9.8180   39.932   24.867   23.635   10.686  114.184   36.042   89.802   22.158 24.38229 42.30817 
1 1 1  -17   25    8 o  112.662   23.933   36.380   15.200   49.189   25.945   29.685   18.756  125.430   36.241   99.893   31.268 25.53781 47.86539 
1 1 1  -17   25    9 o  224.464   15.193  144.624   18.014  125.563   27.277  159.369   23.990  209.922   24.046  239.007   18.575 -29.08543 30.38514 
1 1 1  -17   25   10 o  160.812   20.571   82.582   16.643   46.126   24.795  112.478   22.453  121.671   35.509  199.953   20.781 -78.28274 41.14255 
1 1 1  -17   25   11 o  282.143   9.4731  212.816   13.248  204.202   15.712  234.009   24.645  273.426   10.634  290.860   15.680 -17.43427 18.94612 
1 1 1  -17   25   12 o  332.819   6.9914  302.101   12.572  296.522   17.660  307.834   17.902  329.695   9.9129  335.942   9.8618 -6.246765 13.98287 
1 1 1  -17   25   13 f  176.679   9.2684   85.825   8.8436   88.959   12.492   82.675   12.522  179.974   12.845  173.385   13.365 6.589020 18.53676 
1 1 1  -17   25   14 o  180.953   8.8404   89.518   8.6262   96.030   12.700   83.939   11.754  187.023   12.566  174.882   12.438 12.14159 17.68086 
1 1 1  -17   25   15 o  183.339   8.4235   92.275   8.3176   83.118   11.685  101.680   11.842  173.989   12.428  192.689   11.374 -18.70044 16.84703 
1 1 1  -17   25   16 o  133.051   11.193   48.930   8.0296   52.571   11.836   45.824   10.929  137.598   15.919  128.504   15.739 9.094284 22.38573 
1 1 1  -17   25   17 o  103.216   14.271   30.618   7.7894   25.399   10.793   36.292   11.253   92.704   21.894  113.728   18.312 -21.02332 28.54271 
1 1 1  -17   25   18 o   59.220   15.327   5.7138   7.0012  -2.2073   9.3831   15.663   10.516   44.634   19.739   73.805   23.453 -29.17173 30.65404 
1 1 1  -17   25   19 o  207.221   7.9740  117.577   8.9156  125.764   13.017  110.343   12.236  214.002   11.257  200.441   11.297 13.56117 15.94799 
1 1 1  -17   25   20 o   57.589   15.767   6.4015   7.0741   3.3742   9.7578   9.7554   10.271   52.296   21.496   62.883   23.073 -10.58655 31.53486 
1 1 1  -17   25   21 o   58.036   15.132   5.2990   7.0889  -4.4875   9.9981   15.193   10.053   43.675   19.761   72.398   22.923 -28.72359 30.26476 
1 1 1  -17   25   22 o  116.938   12.201   38.499   7.6981   38.834   11.219   38.201   10.582  117.294   17.701  116.582   16.798 0.7121811 24.40285 
1 1 1  -17   25   23 f  146.725   10.275   60.678   8.0436   52.477   11.739   67.937   11.044  136.839   15.875  156.612   13.050 -19.77325 20.55052 
1 1 1  -17   25   24 o  116.520   13.543   39.855   7.8991   60.412   11.644   22.331   10.751  147.094   14.650   85.946   22.782 61.14752 27.08532 
1 1 1  -17   25   25 o  108.249   13.908   34.600   7.7523   51.288   11.373   20.115   10.595  135.057   15.583   81.441   23.042 53.61599 27.81646 
1 1 1  -17   25   26 o   78.120   16.055   18.465   7.3209   22.775   10.292   14.049   10.416   86.530   21.970   69.710   23.417 16.82036 32.11020 
1 1 1  -17   25   27 o   86.251   15.300   22.938   7.4033   14.438   10.637   30.923   10.310   70.424   23.664  102.078   19.401 -31.65372 30.60050 
1 1 1  -17   25   28 o  137.010   10.458   53.021   7.7149   49.364   11.090   56.451   10.740  132.132   15.532  141.888   14.008 -9.756348 20.91522 
1 1 1  -17   25   29 o  145.914   10.113   59.940   7.9659   60.509   11.542   59.423   11.008  146.457   14.584  145.372   14.013 1.084839 20.22555 
1 1 1  -17   25   30 o   77.075   15.862   18.039   7.1645   23.615   10.414   13.028   9.8716   87.324   22.062   66.825   22.795 20.49890 31.72334 
1 1 1  -17   25   31 o  124.321   11.087   44.136   7.4324   41.516   10.603   46.667   10.422  120.429   16.293  128.214   15.042 -7.785164 22.17485 
1 1 1  -17   25   32 o  113.001   12.801   37.899   7.5351   32.554   10.866   42.850   10.458  103.595   20.137  122.406   15.810 -18.81069 25.60203 
1 1 1  -17   25   33 o   70.829   16.182   15.442   7.1237   12.966   10.372   17.652   9.8012   66.490   23.332   75.167   22.428 -8.677231 32.36374 
1 1 1  -17   25   34 o   70.276   13.851   12.445   7.1531  -4.9697   10.192   29.350   10.042   42.574   19.526   97.977   19.651 -55.40309 27.70232 
1 1 1  -17   25   35 o  134.924   10.799   53.249   7.7222   45.082   11.404   60.166   10.494  124.224   16.989  145.625   13.336 -21.40031 21.59779 
1 1 1  -17   25   36 o   89.368   15.069   25.702   7.6236   15.820   11.130   34.437   10.464   70.890   24.205  107.846   17.955 -36.95635 30.13715 
1 1 1  -17   25   37 o   99.522   14.450   30.902   7.4680   30.307   11.216   31.376   10.010   97.765   21.787  101.278   18.988 -3.513245 28.90001 
1 1 1  -17   25   38 o  121.677   12.277   44.082   7.9876   40.200   11.773   47.394   10.873  115.759   18.821  127.595   15.770 -11.83567 24.55454 
1 1 1  -17   25   39 o   49.448   15.141   1.1464   7.4634   5.7324   11.324  -2.3757   9.9239   55.190   22.964   43.705   19.740 11.48511 30.28189 
1 1 1  -17   25   40 o   39.682   13.244  -8.3886   7.3732  -9.0134   11.131  -7.9002   9.8420   40.712   19.237   38.651   18.210 2.061199 26.48886 
1 1 1  -17   25   41 o   48.407   15.002   1.3809   7.5633  -1.8686   11.479   3.8740   10.054   46.591   21.119   50.224   21.312 -3.632504 30.00370 
1 1 1  -17   25   42 o   93.140   16.199   30.148   8.1346   26.456   12.040   33.247   11.034   86.010   24.642  100.270   21.035 -14.25984 32.39882 
1 1 1  -17   25   43 o   68.878   19.352   15.229   11.420   2.8333   19.796   21.412   13.981   60.890   27.653   76.866   27.080 -15.97594 38.70407 
1 1 1  -17   25   44 o  175.018   14.367   96.414   13.141   98.671   21.384   95.045   16.657  173.290   22.836  176.747   17.441 -3.456985 28.73462 
1 1 1  -17   25   45 o   76.935   19.402   25.789   11.480   10.347   20.330   33.018   13.911   62.607   28.267   91.263   26.586 -28.65530 38.80488 
1 1 1  -17   25   46 o   91.414   16.855   32.216   8.4206   30.447   12.661   33.619   11.276   86.833   25.383   95.995   22.183 -9.161972 33.71053 
1 1 1  -17   25   47 o   62.426   18.083   13.350   9.5404   11.986   12.209   15.489   15.288   60.006   24.277   64.847   26.807 -4.841694 36.16645 
1 1 1  -17   25   48 o   98.188   20.313   44.910   11.673   48.964   15.708   39.910   17.444  107.505   27.059   88.872   30.302 18.63325 40.62551 
1 1 1  -17   26    1 o   63.838   15.736   10.059   6.9094   14.976   9.8024   5.2046   9.7406   72.424   22.594   55.252   21.910 17.17191 31.47216 
1 1 1  -17   26    2 o  188.860   8.4329   97.917   8.5699  109.522   12.244   86.772   11.999  199.978   11.330  177.742   12.493 22.23561 16.86587 
1 1 1  -17   26    4 o  182.513   19.321  117.431   12.053   72.252   29.783  126.279   13.180  150.310   36.933  214.716   11.360 -64.40620 38.64102 
1 1 1  -17   26    5 o  132.158   22.452   55.674   17.182   28.649   25.562   77.950   23.208  100.408   36.467  163.909   26.202 -63.50134 44.90450 
1 1 1  -17   26    6 o  249.929   14.687  180.537   19.338  150.405   28.992  204.685   25.954  229.212   23.408  270.646   17.747 -41.43465 29.37464 
1 1 1  -17   26    7 o   76.970   22.824   7.4042   15.303   8.6532   26.312   6.7658   18.811   82.374   34.688   71.567   29.673 10.80719 45.64819 
1 1 1  -17   26    8 o   49.118   16.090  -7.3306   9.1547  -3.3823   10.484 -20.0023   18.782   46.210   20.625   52.025   24.702 -5.814732 32.18018 
1 1 1  -17   26    9 o  175.778   16.416   94.465   11.363   81.329   25.802   97.626   12.656  163.136   30.388  188.419   12.431 -25.28349 32.83234 
1 1 1  -17   26   10 o  146.299   19.311   71.403   10.719   52.477   26.216   75.203   11.746  127.451   36.309  165.147   13.163 -37.69562 38.62147 
1 1 1  -17   26   11 o  170.200   15.448   94.204   11.006  104.916   12.817   64.122   21.479  195.294   12.145  145.106   28.409 50.18723 30.89649 
1 1 1  -17   26   12 o  104.788   19.445   30.177   9.8904   26.613   11.313   41.734   20.370   94.507   22.481  115.069   31.733 -20.56217 38.88920 
1 1 1  -17   26   13 o  150.248   9.9185   62.537   8.0368   57.427   11.226   67.911   11.512  143.839   14.442  156.656   13.599 -12.81618 19.83706 
1 1 1  -17   26   14 o   58.752   15.164   5.6334   7.1561  -4.7232   10.178   15.760   10.064   43.931   19.902   73.572   22.883 -29.64104 30.32711 
1 1 1  -17   26   15 o   56.742   15.805   5.6868   7.2235   8.9514   10.308   2.5372   10.125   61.581   23.018   51.904   21.665 9.676567 31.61057 
1 1 1  -17   26   16 o   43.981   14.114  -4.9250   7.2793  -5.1530   10.355  -4.7022   10.235   43.919   19.966   44.043   19.955 -0.1237297 28.22853 
1 1 1  -17   26   17 o   98.868   14.480   28.938   7.4822   26.184   10.619   31.653   10.544   93.731   21.432  104.006   19.477 -10.27446 28.96059 
1 1 1  -17   26   18 o   81.724   15.366   20.152   7.1603   26.499   9.8969   13.180   10.372   94.736   19.963   68.712   23.366 26.02419 30.73262 
1 1 1  -17   26   19 o  129.772   11.115   47.129   7.7741   46.141   10.572   48.293   11.471  128.436   15.233  131.109   16.191 -2.672775 22.23085 
1 1 1  -17   26   20 o   43.318   13.890  -4.5518   7.0396  -2.5430   9.3900  -7.1296   10.637   43.952   19.575   42.683   19.711 1.269707 27.77962 
1 1 1  -17   26   21 o  118.484   12.188   40.056   7.7461   44.762   10.858   35.179   11.054  126.020   15.945  110.947   18.438 15.07243 24.37629 
1 1 1  -17   26   22 o   87.082   15.684   23.163   7.4156   24.946   10.296   21.242   10.690   90.808   21.343   83.355   22.988 7.452957 31.36793 
1 1 1  -17   26   23 o   61.471   15.720   8.0945   7.3822   16.791   10.432  -0.6287   10.448   74.699   23.309   48.244   21.098 26.45502 31.43954 
1 1 1  -17   26   24 o  138.786   10.785   54.785   7.9880   45.607   11.361   63.759   11.234  126.651   16.600  150.922   13.775 -24.27134 21.57096 
1 1 1  -17   26   25 o   65.200   16.399   11.391   7.4373   15.578   10.530   7.2221   10.506   72.184   23.520   58.215   22.859 13.96915 32.79771 
1 1 1  -17   26   26 o  254.653   7.3482  179.925   10.071  165.427   14.453  193.606   14.040  244.329   10.947  264.977   9.8055 -20.64745 14.69635 
1 1 1  -17   26   27 o  118.600   13.374   43.156   7.9454   29.158   11.577   55.620   10.924   96.919   22.533  140.282   14.411 -43.36300 26.74728 
1 1 1  -17   26   28 o   81.520   14.846   19.323   7.6275   35.427   11.059   4.7121   10.534  108.654   19.555   54.386   22.342 54.26832 29.69127 
1 1 1  -17   26   29 o   58.081   16.036   7.1330   7.4347   11.350   10.633   3.0995   10.399   64.228   23.491   51.933   21.835 12.29454 32.07166 
1 1 1  -17   26   30 o   64.352   15.220   10.330   7.0526   20.707   10.130   0.5691   9.8247   81.140   22.379   47.565   20.635 33.57531 30.44004 
1 1 1  -17   26   31 o   99.639   14.627   30.680   7.6137   30.243   10.949   31.088   10.595   98.651   21.172  100.626   20.187 -1.974396 29.25359 
1 1 1  -17   26   32 o   87.946   15.664   24.200   7.4300   28.758   11.218   20.637   9.9168   95.277   22.201   80.615   22.104 14.66158 31.32866 
1 1 1  -17   26   33 o   62.319   15.438   10.378   7.2489   0.1041   10.987   18.297   9.6462   48.886   21.501   75.751   22.159 -26.86537 30.87602 
1 1 1  -17   26   34 o  127.676   11.587   47.505   7.9635   53.125   11.486   42.303   11.051  135.323   15.707  120.029   17.038 15.29437 23.17375 
1 1 1  -17   26   35 o   43.574   13.729  -9.0217   7.2757   6.8088   10.809 -22.1355   9.8380   56.553   22.856   30.595   15.216 25.95768 27.45737 
1 1 1  -17   26   36 o   87.399   15.763   24.155   7.6848   34.596   11.611   16.017   10.251  104.276   21.326   70.522   23.217 33.75404 31.52528 
1 1 1  -17   26   37 o  163.581   9.7829   78.623   8.4476   66.044   12.596   88.907   11.389  150.115   15.528  177.046   11.904 -26.93068 19.56586 
1 1 1  -17   26   38 o   49.070   14.756   0.3688   7.4573  -9.2530   10.791   9.1659   10.318   39.722   18.820   58.417   22.733 -18.69531 29.51252 
1 1 1  -17   26   39 o   40.104   13.330  -9.5497   7.5311  -0.4474   11.055 -17.4308   10.287   46.913   21.042   33.294   16.372 13.61933 26.66093 
1 1 1  -17   26   40 o   98.253   15.193   32.456   7.8049   29.464   11.780   34.798   10.421   92.126   23.567  104.380   19.182 -12.25367 30.38695 
1 1 1  -17   26   41 o   98.134   21.080   38.814   12.418   31.802   21.463   42.342   15.225   87.093   33.069  109.176   26.152 -22.08345 42.16041 
1 1 1  -17   26   42 o   65.715   19.437   12.242   11.362   10.748   18.950   13.081   14.197   65.989   28.643   65.442   26.283 0.5474243 38.87421 
1 1 1  -17   26   43 o  102.207   16.447   43.998   12.412   1.3207   19.291   74.144   16.213   55.647   25.985  148.766   20.169 -93.11843 32.89331 
1 1 1  -17   26   44 o   34.944   12.139 -16.4770   7.8900  -9.6831   11.411 -22.7010   10.922   38.573   18.565   31.314   15.646 7.258572 24.27847 
1 1 1  -17   26   45 o   52.689   16.868  -0.5744   9.6801  -7.9553   11.760   14.937   17.048   40.770   19.412   64.607   27.592 -23.83725 33.73632 
1 1 1  -17   26   46 o   46.560   15.628  -4.2746   10.607  -8.5766   14.610   0.5216   15.426   43.441   20.933   49.678   23.210 -6.237797 31.25539 
1 1 1  -17   27    1 o  118.816   23.644   47.320   16.264   33.108   26.358   56.059   20.668  103.410   37.102  134.222   29.317 -30.81183 47.28711 
1 1 1  -17   27    2 o  134.411   22.206   61.485   17.011   30.428   26.761   82.545   22.037  100.744   37.199  168.078   24.264 -67.33408 44.41298 
1 1 1  -17   27    3 o  101.392   23.564   32.223   16.080   14.586   25.017   44.640   20.990   84.567   34.550  118.216   32.052 -33.64985 47.12798 
1 1 1  -17   27    4 o   71.427   19.669   9.4856   9.5459   6.7988   10.910   18.261   19.717   59.166   23.274   83.687   31.715 -24.52078 39.33825 
1 1 1  -17   27    5 o   39.861   13.085 -12.2340   7.2943  -0.6938   10.098 -24.8242   10.548   47.886   20.847   31.835   15.820 16.05112 26.17013 
1 1 1  -17   27    6 o   68.642   16.529   13.078   7.3571   14.213   10.091   11.791   10.749   70.532   23.026   66.752   23.721 3.780350 33.05874 
1 1 1  -17   27    7 f  102.803   14.276   31.063   7.6374   30.804   10.507   31.352   11.121  102.530   19.680  103.077   20.685 -0.5472641 28.55132 
1 1 1  -17   27    8 o  183.588   12.006   92.932   11.911   0.0000   0.0000   92.932   11.911  ?   ?   183.588   12.006      ?      ? 
1 1 1  -17   27    9 o  104.743   13.873   31.734   7.6588   26.806   10.610   37.097   11.067   94.911   21.220  114.574   17.875 -19.66201 27.74548 
1 1 1  -17   27   10 o  141.909   19.235   68.707   10.846   48.964   25.259   73.171   12.010  121.450   35.952  162.367   13.689 -40.91663 38.46960 
1 1 1  -17   27   11 o   85.630   19.132   24.668   9.9943  -6.0293   26.710   29.666   10.777   71.157   32.239  100.103   20.610 -28.94583 38.26375 
1 1 1  -17   27   12 f   67.087   18.183   1.5705   8.4398  -5.1537   9.5209   26.239   18.236   41.720   19.036   92.455   30.985 -50.73446 36.36504 
1 1 1  -17   27   13 o   71.419   18.726   13.405   9.1343   15.303   10.594   7.9099   18.030   72.553   23.589   70.285   29.088 2.267433 37.45108 
1 1 1  -17   27   14 o   97.573   14.750   28.354   7.8106   17.026   10.881   40.393   11.218   75.735   23.834  119.410   17.385 -43.67523 29.50074 
1 1 1  -17   27   15 o  131.650   11.519   48.921   8.1917   47.658   11.609   50.174   11.561  129.869   16.543  133.432   16.034 -3.562241 23.03787 
1 1 1  -17   27   16 o   64.193   15.809   10.999   7.0045   15.550   9.5820   5.7758   10.265   72.297   22.303   56.090   22.412 16.20669 31.61797 
1 1 1  -17   27   17 o  102.355   14.443   30.815   7.9113   49.282   11.803   15.750   10.661  131.814   16.571   72.897   23.661 58.91669 28.88646 
1 1 1  -17   27   18 o   68.490   14.886   10.530   7.5588   25.969   10.714  -4.7694   10.665   92.397   21.810   44.584   20.266 47.81280 29.77232 
1 1 1  -17   27   19 o   89.174   14.904   23.989   7.5835   13.207   10.733   34.736   10.716   68.276   23.748  110.072   18.017 -41.79527 29.80891 
1 1 1  -17   27   20 f  129.950   11.417   48.097   7.9790   43.370   11.359   52.701   11.210  123.263   17.054  136.637   15.183 -13.37413 22.83342 
1 1 1  -17   27   21 o   51.307   15.039   1.6560   7.1995  -4.9214   10.097   8.4590   10.269   42.924   19.592   59.691   22.823 -16.76755 30.07885 
1 1 1  -17   27   22 o   80.932   16.114   20.320   7.3495   19.628   10.420   21.005   10.367   79.573   22.961   82.291   22.616 -2.717674 32.22871 
1 1 1  -17   27   23 o  125.225   11.566   44.951   7.7972   43.972   11.446   45.798   10.651  123.610   17.136  126.841   15.540 -3.231277 23.13248 
1 1 1  -17   27   24 f   59.258   16.037   7.7472   7.3338   12.619   10.731   3.4771   10.046   66.614   23.697   51.903   21.616 14.71127 32.07486 
1 1 1  -17   27   25 o  107.939   13.558   34.676   7.7086   31.757   11.001   37.493   10.805  102.067   20.654  113.811   17.569 -11.74389 27.11631 
1 1 1  -17   27   26 o  165.762   9.5060   77.285   8.4991   84.016   12.371   71.268   11.696  172.673   13.259  158.851   13.626 13.82213 19.01203 
1 1 1  -17   27   27 o  111.365   13.278   37.135   7.7269   31.300   10.907   43.015   10.949  100.806   20.715  121.923   16.618 -21.11736 26.55700 
1 1 1  -17   27   28 o   47.122   14.533  -1.1289   7.1124   4.8378   10.571  -6.0644   9.6141   54.021   22.308   40.222   18.632 13.79916 29.06552 
1 1 1  -17   27   29 o   56.102   16.096   6.2628   7.6240   7.4562   10.842   5.0955   10.723   57.782   23.051   54.421   22.470 3.361412 32.19106 
1 1 1  -17   27   30 o  131.556   11.520   50.879   8.0961   45.323   11.866   55.718   11.074  123.896   17.724  139.217   14.721 -15.32062 23.03997 
1 1 1  -17   27   31 o   75.849   16.169   17.728   7.5651   26.532   11.135   10.182   10.310   90.706   22.757   60.993   22.976 29.71265 32.33829 
1 1 1  -17   27   32 o   42.709   13.795  -4.6635   7.2047  -8.9352   10.517  -0.8862   9.8897   39.832   18.784   45.587   20.207 -5.755131 27.58925 
1 1 1  -17   27   33 o   92.453   14.982   27.789   7.6916   17.614   11.183   36.924   10.596   73.476   24.253  111.430   17.597 -37.95462 29.96417 
1 1 1  -17   27   34 o   51.470   15.586   2.7186   7.7844   6.1659   11.308  -0.3863   10.732   55.660   23.036   47.280   21.000 8.380310 31.17124 
1 1 1  -17   27   35 o  125.739   12.362   47.028   8.3658   51.119   12.538   43.746   11.232  130.413   17.792  121.064   17.169 9.348221 24.72485 
1 1 1  -17   27   36 o   91.133   16.216   28.195   7.9977   25.893   11.680   30.228   10.974   86.548   24.090   95.718   21.715 -9.169876 32.43238 
1 1 1  -17   27   37 o   64.734   16.501   13.502   7.8619   6.3088   11.620   19.574   10.677   54.729   23.050   74.739   23.619 -20.01008 33.00224 
1 1 1  -17   27   38 o   47.786   15.092  -2.1051   8.0335   6.4500   12.373  -8.3393   10.562   56.141   23.722   39.432   18.665 16.70885 30.18474 
1 1 1  -17   27   39 o   78.369   20.435   23.188   12.014   12.840   20.611   28.514   14.786   69.182   29.950   87.556   27.808 -18.37365 40.86962 
1 1 1  -17   27   40 o   54.237   17.893  -2.9267   12.329  -5.1036   21.412  -1.8468   15.080   56.877   26.816   51.597   23.697 5.279919 35.78565 
1 1 1  -17   27   41 o   47.812   16.245  -6.9294   11.760 -10.5360   20.361  -5.1239   14.407   49.712   24.136   45.913   21.751 3.798412 32.49068 
1 1 1  -17   27   42 o   47.056   15.212  -1.5260   9.1453   5.8172   11.243 -15.8851   15.722   51.554   22.220   42.557   20.783 8.997070 30.42467 
1 1 1  -17   27   43 o   71.891   17.555   12.123   10.275  -8.3581   13.266   42.838   16.246   42.874   20.469  100.909   28.526 -58.03496 35.11012 
1 1 1  -17   27   44 o   91.220   19.732   39.892   11.514   49.054   15.370   28.176   17.381  108.493   26.455   73.948   29.285 34.54485 39.46468 
1 1 1  -17   28    1 o   63.931   16.181   10.774   7.2955   14.363   9.6489   5.9831   11.147   70.003   22.489   57.859   23.271 12.14378 32.36188 
1 1 1  -17   28    2 o  113.910   12.140   36.926   7.3964   37.424   9.8397   36.278   11.215  115.219   15.804  112.601   18.432 2.618370 24.27955 
1 1 1  -17   28    3 f  182.843   12.750   92.880   12.597   0.0000   0.0000   92.880   12.597  ?   ?   182.843   12.750      ?      ? 
1 1 1  -17   28    4 o  185.843   12.816   95.992   12.870   0.0000   0.0000   95.992   12.870  ?   ?   185.843   12.816      ?      ? 
1 1 1  -17   28    5 o  123.755   11.712   42.994   7.7891   37.428   10.520   49.749   11.588  114.830   16.954  132.680   16.163 -17.84944 23.42386 
1 1 1  -17   28    6 o  162.240   13.778   73.517   12.079   0.0000   0.0000   73.517   12.079  ?   ?   162.240   13.778      ?      ? 
1 1 1  -17   28    7 o  122.390   11.902   42.381   7.8064   50.123   11.390   35.523   10.720  133.241   15.820  111.538   17.786 21.70359 23.80395 
1 1 1  -17   28    8 o   48.834   14.423   0.7948   6.8527   7.1241   8.9645  -8.1038   10.629   55.992   21.345   41.676   19.403 14.31613 28.84551 
1 1 1  -17   28    9 o  119.651   12.705   41.563   7.8434   31.790   10.860   52.221   11.340  103.215   20.194  136.086   15.421 -32.87059 25.40899 
1 1 1  -17   28   10 o   64.366   16.408   10.879   7.3561   8.2587   10.194   13.727   10.626   59.570   22.749   69.162   23.650 -9.592373 32.81503 
1 1 1  -17   28   11 o   88.645   21.855   8.4164   9.6411   57.162   28.106   1.9155   10.264  126.491   38.033   50.799   21.543 75.69247 43.71083 
1 1 1  -17   28   12 o   79.584   21.299   7.3473   9.7805   40.450   25.458   1.6152   10.593  108.089   36.608   51.079   21.781 57.01019 42.59744 
1 1 1  -17   28   13 o  126.328   17.410   53.186   10.063   58.162   11.756   39.550   19.460  143.595   15.151  109.062   31.351 34.53340 34.82040 
1 1 1  -17   28   14 o  163.822   12.822   74.788   9.8511   72.368   11.340   82.230   19.887  160.995   13.035  166.650   22.084 -5.655762 25.64419 
1 1 1  -17   28   15 o   72.290   16.679   15.660   7.5106   17.066   10.505   14.190   10.742   74.876   23.394   69.703   23.779 5.172272 33.35766 
1 1 1  -17   28   16 f  107.150   13.666   34.022   7.6995   29.562   10.854   38.540   10.924   98.552   21.022  115.748   17.466 -17.19611 27.33105 
1 1 1  -17   28   17 o   49.815   15.027   1.6603   7.0575   0.9248   9.2861   2.6660   10.859   47.166   20.259   52.464   22.199 -5.297981 30.05401 
1 1 1  -17   28   18 o  107.162   13.477   33.840   7.5939   32.975   10.172   34.928   11.414  106.851   17.617  107.472   20.401 -0.6215668 26.95425 
1 1 1  -17   28   19 o   96.942   14.636   29.541   7.5733   37.434   10.197   19.831   11.309  114.271   16.514   79.613   24.169 34.65833 29.27172 
1 1 1  -17   28   20 o   63.170   15.688   10.492   7.2490   17.221   9.6960   1.9629   10.915   74.726   22.310   51.615   22.062 23.11059 31.37592 
1 1 1  -17   28   21 o   65.246   16.366   11.634   7.3749   7.4709   10.098   16.393   10.797   57.459   22.453   73.032   23.817 -15.57280 32.73229 
1 1 1  -17   28   22 o  170.474   9.3532   82.040   8.5567   80.873   12.810   82.981   11.498  168.933   14.032  172.016   12.370 -3.082596 18.70645 
1 1 1  -17   28   23 o   92.527   15.401   26.906   7.7697   36.302   11.155   18.053   10.828  109.402   19.589   75.651   23.770 33.75155 30.80180 
1 1 1  -17   28   24 o   81.634   15.499   20.384   7.6272   32.657   11.095   9.3877   10.502  102.837   20.683   60.431   23.087 42.40561 30.99702 
1 1 1  -17   28   25 o   51.186   15.120   1.2700   7.5891  -8.0913   11.063   9.5920   10.431   41.868   19.592   60.503   23.034 -18.63498 30.23899 
1 1 1  -17   28   26 o  123.714   12.239   45.109   8.1450   48.735   11.385   41.308   11.658  129.396   16.282  118.032   18.278 11.36358 24.47838 
1 1 1  -17   28   27 o  126.919   12.613   48.310   8.2680   59.067   11.808   37.963   11.581  142.949   15.287  110.888   20.066 32.06186 25.22515 
1 1 1  -17   28   28 f  164.378   9.8789   77.097   8.7668   80.732   12.730   73.818   12.091  168.024   14.020  160.731   13.921 7.292877 19.75779 
1 1 1  -17   28   29 o  184.306   8.9255   95.818   8.8651  101.837   13.141   90.791   12.010  189.448   12.836  179.163   12.405 10.28539 17.85095 
1 1 1  -17   28   30 o   77.058   16.486   19.417   7.7790   12.758   11.076   25.898   10.928   65.114   23.950   89.002   22.662 -23.88864 32.97223 
1 1 1  -17   28   31 o   88.871   16.475   26.359   8.0286   24.333   11.608   28.217   11.117   84.934   24.148   92.808   22.418 -7.874001 32.95001 
1 1 1  -17   28   32 o   79.070   17.010   21.025   7.9168   19.990   11.001   22.137   11.402   77.211   23.910   80.929   24.201 -3.717873 34.01966 
1 1 1  -17   28   33 o  138.065   11.468   57.293   8.4660   50.385   12.246   63.616   11.717  128.885   17.584  147.244   14.726 -18.35889 22.93545 
1 1 1  -17   28   34 o   89.887   16.477   28.529   8.2459   22.193   12.060   34.092   11.300   78.423   25.137  101.351   21.309 -22.92786 32.95348 
1 1 1  -17   28   35 o   63.516   17.077   12.656   8.2701   8.6103   12.332   15.962   11.149   58.514   24.122   68.519   24.178 -10.00541 34.15329 
1 1 1  -17   28   36 o   38.039   13.026 -14.2200   8.2111 -15.6968   12.297 -13.0317   11.030   38.606   18.746   37.473   18.090 1.132904 26.05156 
1 1 1  -17   28   37 o   56.576   17.468  -6.0249   12.923 -60.7207   23.546   17.554   15.460   41.780   21.142   71.371   27.812 -29.59113 34.93571 
1 1 1  -17   28   38 o   49.466   16.756  -8.4124   12.491 -13.7478   21.030  -5.5045   15.526   50.606   24.560   48.327   22.800 2.279163 33.51168 
1 1 1  -17   28   39 o   91.279   35.685   53.941   25.514   53.941   25.514   0.0000   0.0000   91.279   35.685  ?   ?       ?      ? 
1 1 1  -17   28   40 o   58.272   17.802   6.6728   10.488  -2.4392   13.872   18.829   16.023   47.851   22.240   68.692   27.804 -20.84150 35.60500 
1 1 1  -17   28   41 o   60.867   17.923   12.564   10.713   20.910   13.609  -1.0309   17.370   70.254   26.411   51.480   24.235 18.77425 35.84519 
1 1 1  -17   28   42 o   58.197   17.325   9.1118   10.760   24.527   14.442 -10.1216   16.132   72.161   27.192   44.233   21.477 27.92867 34.65066 
1 1 1  -17   29    1 o   37.682   12.606  -9.5762   6.7668  -9.0746   9.1217 -10.1900   10.091   36.855   17.414   38.508   18.232 -1.653221 25.21237 
1 1 1  -17   29    2 o   61.358   15.810   9.9863   6.8730   12.059   9.2192   7.3931   10.312   64.720   22.029   57.996   22.683 6.724239 31.61980 
1 1 1  -17   29    3 o  128.571   11.179   47.099   7.7449   47.984   10.637   46.100   11.299  130.133   15.127  127.009   16.463 3.123466 22.35727 
1 1 1  -17   29    4 o   64.624   15.761   11.730   7.0525   16.456   9.2701   5.2349   10.867   73.452   21.788   55.796   22.780 17.65591 31.52262 
1 1 1  -17   29    6 o  101.071   14.286   31.155   7.6208   41.387   10.771   20.897   10.784  120.239   16.577   81.902   23.272 38.33639 28.57253 
1 1 1  -17   29    7 o   67.041   15.936   11.952   7.2339   5.0859   9.8299   20.063   10.684   53.787   21.776   80.294   23.273 -26.50692 31.87189 
1 1 1  -17   29    8 o  144.440   10.478   58.710   8.1512   53.531   11.037   64.925   12.091  137.458   14.858  151.422   14.776 -13.96326 20.95517 
1 1 1  -17   29    9 o   55.079   15.156   3.7226   7.0037  -3.9167   9.3226   13.620   10.612   41.854   18.995   68.305   23.621 -26.45095 30.31149 
1 1 1  -17   29   10 o   62.281   15.880   10.185   6.8299   7.6063   9.0400   13.615   10.425   56.397   21.450   68.165   23.422 -11.76805 31.76005 
1 1 1  -17   29   11 o   63.112   16.023   9.8478   7.4534   17.091   10.500   2.4900   10.582   74.551   23.404   51.674   21.892 22.87683 32.04693 
1 1 1  -17   29   12 o  176.281   18.676  102.701   11.913   88.243   29.349  105.553   13.036  158.242   35.228  194.319   12.415 -36.07697 37.35175 
1 1 1  -17   29   13 o   82.669   18.509   24.149   10.601  -9.8018   24.819   31.724   11.724   63.995   29.745  101.343   22.037 -37.34798 37.01854 
1 1 1  -17   29   14 o   75.469   18.643   18.038   9.6519   22.550   11.028   3.2725   19.952   84.648   23.351   66.289   29.069 18.35886 37.28614 
1 1 1  -17   29   15 o   77.094   18.804   19.052   9.3821   22.065   10.695   8.9932   19.542   83.748   22.952   70.439   29.791 13.30989 37.60711 
1 1 1  -17   29   16 o   99.856   15.138   30.782   7.9135   29.673   10.864   32.035   11.550   98.053   21.128  101.660   21.687 -3.607338 30.27685 
1 1 1  -17   29   17 o   68.920   16.174   14.305   7.2939   18.836   9.9690   9.0848   10.700   77.429   22.492   60.411   23.250 17.01856 32.34863 
1 1 1  -17   29   18 o   87.402   15.737   23.988   7.4301   22.400   10.039   25.911   11.049   84.388   21.844   90.417   22.660 -6.029587 31.47460 
1 1 1  -17   29   19 o   43.580   13.860  -3.3350   7.0103   1.0368   9.3113  -9.0554   10.651   46.869   20.211   40.291   18.970 6.577839 27.71902 
1 1 1  -17   29   20 o  147.728   10.151   62.328   8.1028   61.346   11.440   63.317   11.479  146.507   14.450  148.949   14.261 -2.441345 20.30245 
1 1 1  -17   29   21 o   79.216   16.688   19.951   7.8861   26.278   11.419   14.182   10.904   90.215   23.272   68.217   23.924 21.99820 33.37559 
1 1 1  -17   29   22 o  104.385   14.445   33.318   7.9690   40.516   11.704   27.096   10.881  116.650   18.568   92.121   22.134 24.52964 28.89064 
1 1 1  -17   29   23 o   91.868   15.784   26.994   7.8089   31.870   11.260   22.476   10.839  100.543   21.383   83.192   23.224 17.35174 31.56861 
1 1 1  -17   29   24 o   54.636   15.975   5.1524   7.7251   3.0885   11.135   7.0676   10.726   52.415   22.340   56.858   22.842 -4.443295 31.95051 
1 1 1  -17   29   25 o  144.808   10.745   60.757   8.3332   70.451   11.906   51.449   11.667  156.849   14.048  132.768   16.262 24.08086 21.48956 
1 1 1  -17   29   26 o   51.123   15.602   2.2817   7.8560   1.5115   10.870   3.1241   11.367   49.801   21.655   52.445   22.468 -2.643822 31.20471 
1 1 1  -17   29   27 o  133.259   11.775   52.821   8.4070   59.684   11.841   45.844   11.938  142.920   15.332  123.598   17.875 19.32218 23.54979 
1 1 1  -17   29   28 o  154.084   10.590   68.898   8.7616   79.963   12.802   59.149   12.017  166.203   14.255  141.966   15.665 24.23705 21.17948 
1 1 1  -17   29   29 o   46.777   14.872  -1.4400   7.8551  -1.8053   11.468  -1.1172   10.781   47.095   21.250   46.460   20.813 0.6353798 29.74432 
1 1 1  -17   29   30 o  243.494   11.064  168.379   14.557   0.0000   0.0000  168.379   14.557  ?   ?   243.494   11.064      ?      ? 
1 1 1  -17   29   31 o   51.392   15.633   3.6795   7.9065   0.6636   11.078   6.8105   11.288   47.828   21.285   54.957   22.902 -7.129032 31.26575 
1 1 1  -17   29   32 o   39.074   13.207 -10.5489   7.8609 -11.0151   11.252 -10.1045   10.987   39.056   18.702   39.092   18.654 -0.3523636E-01 26.41491 
1 1 1  -17   29   33 o  105.899   15.494   37.389   8.7535   49.041   12.385   25.760   12.373  126.482   18.121   85.317   25.137 41.16524 30.98783 
1 1 1  -17   29   34 o  108.638   16.072   39.845   9.1390   35.884   14.222   42.631   11.927  100.058   26.050  117.218   18.831 -17.15963 32.14305 
1 1 1  -17   29   35 o   84.663   20.079   29.736   14.522  -7.4730   23.763   51.914   18.346   56.403   27.054  112.923   29.677 -56.51952 40.15780 
1 1 1  -17   29   37 o  118.959   25.877   54.032   16.161   54.032   16.161   0.0000   0.0000  118.959   25.877  ?   ?       ?      ? 
1 1 1  -17   29   38 o   46.554   15.577  -5.9798   10.103  -9.9032   13.073  -0.1630   15.918   41.638   19.997   51.469   23.889 -9.830730 31.15376 
1 1 1  -17   29   39 o   79.086   19.916   29.827   10.690   29.730   13.367   30.000   17.807   82.347   26.471   75.825   29.764 6.521324 39.83207 
1 1 1  -17   30    2 o   98.676   14.173   29.771   7.2955   28.174   10.451   31.289   10.189   95.603   20.820  101.749   19.236 -6.146866 28.34602 
1 1 1  -17   30    3 o   61.129   16.195   9.8364   7.2238   10.245   9.9799   9.3871   10.470   61.560   22.720   60.697   23.085 0.8627434 32.38945 
1 1 1  -17   30    4 o   67.175   15.169   10.917   6.9986   1.2902   9.2277   23.954   10.738   47.193   20.231   87.158   22.608 -39.96434 30.33852 
1 1 1  -17   30    5 o  182.852   12.012   93.605   11.869   93.605   11.869   0.0000   0.0000  182.852   12.012  ?   ?       ?      ? 
1 1 1  -17   30    6 o  167.476   12.641   78.841   11.440   78.841   11.440   0.0000   0.0000  167.476   12.641  ?   ?       ?      ? 
1 1 1  -17   30    7 o  191.058   8.8363  102.728   9.0891  104.937   12.425  100.184   13.331  193.626   11.875  188.489   13.088 5.137100 17.67251 
1 1 1  -17   30    8 o  116.513   12.996   41.102   7.7690   48.012   10.608   33.110   11.409  129.525   15.157  103.501   21.115 26.02430 25.99185 
1 1 1  -17   30    9 o  169.868   9.7746   83.938   8.6511  105.524   12.036   60.865   12.443  194.325   11.462  145.410   15.836 48.91515 19.54918 
1 1 1  -17   30   10 o  118.758   12.629   41.281   8.0978   39.105   11.303   43.576   11.607  115.406   18.126  122.109   17.590 -6.702454 25.25786 
1 1 1  -17   30   11 o   77.039   16.575   18.822   7.4798   18.511   9.9797   19.221   11.299   76.526   22.583   77.551   24.267 -1.024750 33.14933 
1 1 1  -17   30   12 o   66.108   16.744   12.806   7.5974   11.813   10.707   13.814   10.782   64.414   23.570   67.803   23.789 -3.389160 33.48848 
1 1 1  -17   30   13 o   80.635   21.204   18.353   9.9464   26.869   24.920   16.739   10.848   88.393   35.046   72.877   23.878 15.51550 42.40770 
1 1 1  -17   30   14 o   61.931   20.049  -2.6388   9.8969   16.986   27.711  -5.5081   10.596   80.997   34.897   42.866   19.752 38.13147 40.09865 
1 1 1  -17   30   15 o   57.375   18.012   1.9774   9.4290   1.8627   10.623   2.4032   20.471   50.184   21.614   64.567   28.819 -14.38303 36.02356 
1 1 1  -17   30   16 o   53.173   17.222  -2.2567   8.8218  -3.0619   9.8141   1.1318   20.133   43.233   19.569   63.114   28.345 -19.88061 34.44407 
1 1 1  -17   30   17 o  138.115   11.220   56.372   8.1747   67.025   11.307   44.708   11.832  153.291   13.651  122.939   17.811 30.35233 22.44032 
1 1 1  -17   30   18 o  107.692   13.641   34.928   7.7535   31.481   10.470   39.113   11.538  100.860   19.918  114.524   18.643 -13.66438 27.28175 
1 1 1  -17   30   19 o   56.715   15.967   6.1604   7.4000   1.9025   9.6838   12.136   11.472   48.386   20.733   65.044   24.289 -16.65773 31.93468 
1 1 1  -17   30   20 o   61.015   16.120   9.9502   7.4856   14.624   9.9716   3.9156   11.331   68.413   22.912   53.616   22.681 14.79742 32.23964 
1 1 1  -17   30   21 o   95.089   15.541   29.067   7.9155   36.365   11.391   22.253   11.007  107.965   20.269   82.213   23.563 25.75210 31.08141 
1 1 1  -17   30   22 o   52.833   15.547   3.8259   7.5599   9.4049   10.885  -1.3731   10.508   59.712   23.318   45.955   20.570 13.75698 31.09417 
1 1 1  -17   30   23 o   81.437   16.804   22.181   7.8475   20.986   10.822   23.507   11.396   79.289   23.546   83.586   23.981 -4.297958 33.60871 
1 1 1  -17   30   24 o   52.684   15.372   2.8191   7.6741  -6.0094   10.825   11.739   10.881   42.338   19.667   63.030   23.631 -20.69164 30.74477 
1 1 1  -17   30   25 o   59.653   16.284   9.6028   7.6314   13.367   10.458   5.3164   11.161   65.187   23.373   54.119   22.680 11.06845 32.56813 
1 1 1  -17   30   26 o   74.411   16.293   16.902   8.2297   4.6346   11.129   31.706   12.225   52.648   22.384   96.173   23.681 -43.52525 32.58616 
1 1 1  -17   30   27 o   76.901   17.370   20.725   8.2027   16.640   11.066   25.708   12.221   69.353   24.113   84.448   25.010 -15.09473 34.74091 
1 1 1  -17   30   28 o   74.643   17.367   19.690   8.1221   20.542   11.196   18.744   11.800   76.383   24.192   72.904   24.923 3.478653 34.73302 
1 1 1  -17   30   29 o   48.042   14.976  -2.9807   8.2544   8.6845   11.664 -14.6824   11.683   58.226   23.668   37.859   18.358 20.36687 29.95289 
1 1 1  -17   30   30 o  102.828   14.378   36.442   8.5943   62.725   12.095   9.6390   12.214  145.529   15.381   60.128   24.298 85.40053 28.75650 
1 1 1  -17   30   31 o   72.463   18.111   19.142   9.6073   24.792   11.704   7.4707   16.822   83.667   24.390   61.258   26.781 22.40900 36.22277 
1 1 1  -17   30   32 o  110.350   30.536   52.455   18.825   0.0000   0.0000   52.455   18.825  ?   ?   110.350   30.536      ?      ? 
1 1 1  -17   30   35 o   52.291   16.919  -6.8218   10.233 -19.2725   12.409   19.637   18.090   35.830   17.688   68.752   28.847 -32.92252 33.83857 
1 1 1  -17   30   36 o   64.730   17.967   17.204   9.1288   20.732   13.799   14.458   12.174   68.537   26.395   60.922   24.384 7.615051 35.93456 
1 1 1  -17   31    1 o   38.226   12.743  -8.6300   6.8797  -5.7322   9.2589 -12.2020   10.280   39.432   18.273   37.020   17.767 2.411480 25.48605 
1 1 1  -17   31    2 o   48.984   14.682   2.5897   6.7584   4.4226   8.8778   0.0634   10.423   50.259   20.563   47.709   20.963 2.550175 29.36500 
1 1 1  -17   31    3 o   63.677   16.269   11.876   7.1721   12.222   9.7153   11.461   10.632   64.017   22.572   63.337   23.435 0.6808357 32.53809 
1 1 1  -17   31    4 o   51.358   14.562   1.2492   7.1717   12.592   9.9139 -11.2025   10.387   64.779   22.806   37.937   18.113 26.84209 29.12346 
1 1 1  -17   31    5 o   37.817   12.687 -10.2794   7.0118 -14.1819   9.7159  -6.0375   10.129   34.403   16.696   41.231   19.108 -6.827229 25.37487 
1 1 1  -17   31    6 o  120.616   12.742   43.174   8.0436   36.001   10.944   51.601   11.862  108.350   19.405  132.881   16.520 -24.53138 25.48448 
1 1 1  -17   31    7 o   58.011   16.069   8.2224   7.3356   9.6428   9.6015   6.2307   11.369   59.442   22.216   56.581   23.224 2.860886 32.13862 
1 1 1  -17   31    8 o  112.541   13.112   37.497   7.7342   31.623   10.276   45.173   11.747  101.364   19.468  123.718   17.571 -22.35385 26.22485 
1 1 1  -17   31    9 o   92.192   23.826   27.770   11.956   0.0000   0.0000   27.770   11.956  ?   ?    92.192   23.826      ?      ? 
1 1 1  -17   31   10 o  142.569   11.060   59.006   8.4931   60.496   11.668   57.326   12.387  144.935   14.898  140.203   16.350 4.732056 22.11923 
1 1 1  -17   31   11 o   58.031   15.634   7.1390   7.5856   15.106   10.083  -3.2521   11.515   69.427   23.034   46.634   21.144 22.79353 31.26722 
1 1 1  -17   31   12 o   96.718   15.509   30.499   8.2293   39.059   11.177   20.365   12.161  114.771   18.022   78.666   25.245 36.10464 31.01770 
1 1 1  -17   31   13 o   96.224   15.547   29.802   8.3173   40.584   11.703   18.798   11.823  116.560   18.580   75.888   24.932 40.67216 31.09356 
1 1 1  -17   31   14 o   86.440   23.128   18.091   10.877   49.685   29.659   13.181   11.692  106.450   39.186   66.431   24.577 40.01875 46.25569 
1 1 1  -17   31   15 o   80.792   21.763   20.867   11.157   24.640   27.361   20.114   12.220   84.078   35.388   77.505   25.340 6.573212 43.52522 
1 1 1  -17   31   16 o   82.825   18.533   25.860   10.130   31.467   11.567   7.3964   20.989   98.439   22.266   67.211   29.633 31.22735 37.06589 
1 1 1  -17   31   17 o   82.365   20.007   20.044   9.7764   14.279   11.358   36.532   19.207   67.353   24.332   97.378   31.767 -30.02460 40.01434 
1 1 1  -17   31   18 o   83.530   16.757   23.347   8.0831   17.866   11.349   28.989   11.515   73.350   24.443   93.710   22.928 -20.36007 33.51342 
1 1 1  -17   31   19 o  106.865   15.214   36.701   8.4813   35.106   11.920   38.336   12.070  104.170   21.873  109.561   21.153 -5.391624 30.42845 
1 1 1  -17   31   20 o  140.986   11.390   58.115   8.4519   42.556   11.348   77.500   12.666  118.769   17.681  163.204   14.363 -44.43430 22.77960 
1 1 1  -17   31   21 o   61.120   16.378   9.7260   7.8217   2.7460   10.586   18.119   11.608   49.719   21.494   72.522   24.719 -22.80384 32.75676 
1 1 1  -17   31   22 o   94.426   16.699   31.034   8.5526   35.152   12.102   26.926   12.088  101.891   22.575   86.962   24.614 14.92870 33.39889 
1 1 1  -17   31   23 o  135.347   11.958   55.927   8.7244   58.201   12.140   53.498   12.547  138.848   16.180  131.847   17.611 7.000748 23.91504 
1 1 1  -17   31   24 o   49.699   15.149   0.8515   7.8999   9.2348   11.010  -8.0458   11.342   58.176   23.222   41.221   19.459 16.95525 30.29756 
1 1 1  -17   31   25 o   89.178   14.948   24.795   8.5636   5.9736   11.592   47.405   12.705   54.831   23.054  123.525   19.035 -68.69402 29.89660 
1 1 1  -17   31   26 f  126.201   26.892   56.577   17.778   0.0000   0.0000   56.577   17.778  ?   ?   126.201   26.892      ?      ? 
1 1 1  -17   31   27 o   58.125   17.651   6.1374   10.276   11.459   13.337  -1.6392   16.122   62.784   25.383   53.467   24.535 9.317276 35.30266 
1 1 1  -17   31   28 o   82.571   18.759   27.588   10.815   38.986   14.289   12.300   16.548  101.760   25.915   63.382   27.130 38.37801 37.51840 
1 1 1  -17   31   29 o   52.685   24.405   2.3671   16.495   0.0000   0.0000   2.3671   16.495  ?   ?    52.685   24.405      ?      ? 
1 1 1  -17   31   32 o   60.224   18.604   11.715   11.566   14.901   14.270   5.6126   19.749   62.909   25.943   57.539   26.672 5.369801 37.20767 
1 1 1  -17   31   33 o   46.088   14.486  -2.3162   8.2548   12.084   11.309 -18.7373   12.077   57.496   23.329   34.680   17.180 22.81606 28.97226 
1 1 1  -17   32    1 o   50.843   14.794   2.9738   7.1155   10.148   9.6173  -5.7033   10.577   59.595   22.242   42.091   19.514 17.50367 29.58829 
1 1 1  -17   32    2 o   63.412   15.673   11.045   7.3601   19.903   10.292   1.7709   10.530   77.598   22.943   49.227   21.359 28.37150 31.34607 
1 1 1  -17   32    3 o   46.879   14.095  -0.2968   7.0033   8.0668   9.1044 -12.4176   10.960   55.644   21.438   38.114   18.306 17.52970 28.18990 
1 1 1  -17   32    4 o   72.193   16.753   16.776   7.4822   14.523   9.8009   19.923   11.584   67.430   22.715   76.956   24.632 -9.525940 33.50700 
1 1 1  -17   32    5 o   71.505   15.872   15.933   7.8248   26.337   10.709   4.0159   11.461   89.734   22.206   53.276   22.685 36.45829 31.74462 
1 1 1  -17   32    6 o   75.449   17.332   19.025   8.0736   18.366   11.017   19.789   11.866   74.320   24.046   76.578   24.968 -2.257889 34.66433 
1 1 1  -17   32    7 o   59.335   16.598   7.6665   7.9604   2.5763   10.352   15.032   12.452   49.805   21.392   68.865   25.385 -19.05976 33.19650 
1 1 1  -17   32    8 o   66.435   16.687   13.929   7.7485   17.361   10.075   8.9591   12.124   72.728   22.939   60.142   24.241 12.58541 33.37414 
1 1 1  -17   32    9 o   69.347   17.659   14.964   8.4316   11.709   11.158   19.298   12.873   63.178   23.878   75.517   26.022 -12.33919 35.31774 
1 1 1  -17   32   10 o  132.381   12.059   52.096   8.5971   50.673   11.636   53.806   12.757  130.817   16.461  133.944   17.625 -3.126923 24.11702 
1 1 1  -17   32   11 o   72.839   17.385   17.037   8.2620   11.894   11.127   23.358   12.335   63.306   23.865   82.372   25.287 -19.06543 34.77003 
1 1 1  -17   32   12 o   53.797   15.431   3.7604   7.8179   13.187   10.631  -7.3428   11.538   64.950   23.528   42.643   19.971 22.30659 30.86150 
1 1 1  -17   32   13 o   50.263   15.536   1.8348   7.9981   0.6300   11.032   3.1699   11.613   48.454   21.417   52.072   22.512 -3.618385 31.07199 
1 1 1  -17   32   14 o   52.443   15.908   3.4790   8.2583   7.8241   11.382  -1.3502   12.000   56.941   23.289   47.945   21.676 8.995697 31.81513 
1 1 1  -17   32   15 o   79.086   18.281   25.586   10.805  -7.9662   25.572   32.878   11.921   59.839   28.528   98.332   22.868 -38.49294 36.56178 
1 1 1  -17   32   16 o   51.389   17.376  -5.5118   11.058 -21.6171   27.575  -2.4255   12.071   56.079   27.416   46.699   21.356 9.379383 34.75241 
1 1 1  -17   32   17 o   47.782   15.775  -3.7759   9.2782  -0.1018   10.587 -15.9392   19.263   46.261   20.681   49.304   23.827 -3.042408 31.55038 
1 1 1  -17   32   18 o   50.887   16.373  -0.2809   9.4334   4.0444   10.749 -14.7770   19.678   51.176   21.884   50.597   24.359 0.5781174 32.74574 
1 1 1  -17   32   19 o   40.012   13.767 -14.2246   8.7738 -11.1705   10.427 -21.6329   16.239   37.242   17.878   42.781   20.941 -5.539063 27.53500 
1 1 1  -17   32   20 o  102.073   18.474   35.417   10.163   27.036   12.951   48.851   16.395   86.895   25.747  117.251   26.500 -30.35595 36.94867 
1 1 1  -17   32   21 o   62.506   18.468   9.8811   10.421   11.527   13.703   7.6239   16.048   63.616   25.726   61.396   26.503 2.220333 36.93579 
1 1 1  -17   32   22 o   50.409   15.890  -5.5780   10.222   10.288   12.988 -31.3964   16.568   61.236   24.942   39.581   19.695 21.65505 31.78075 
1 1 1  -17   32   23 f  121.731   17.422   53.007   11.115   58.694   14.861   45.788   16.744  134.471   20.452  108.992   28.211 25.47910 34.84428 
1 1 1  -17   32   24 o   51.265   16.559   0.4397   9.7083  -4.4504   12.043   9.5180   16.408   43.454   20.368   59.076   26.115 -15.62129 33.11890 
1 1 1  -17   32   25 o   41.810   14.414 -14.0517   10.309 -19.9820   13.674  -6.2432   15.691   37.152   18.383   46.468   22.207 -9.315681 28.82827 
1 1 1  -17   32   26 f  111.707   17.934   50.838   11.015   61.532   14.398   35.743   17.106  135.608   19.648   87.807   30.007 47.80057 35.86758 
1 1 1  -17   32   27 o   49.453   23.760  -9.4099   18.499   0.0000   0.0000  -9.4099   18.499  ?   ?    49.453   23.760      ?      ? 
1 1 1  -17   32   28 o   45.889   16.141 -25.1921   14.774 -20.9212   24.214 -27.7252   18.648   49.883   24.641   41.896   20.854 7.987122 32.28164 
1 1 1  -17   32   29 o   63.754   18.702   10.451   13.636 -28.2207   21.726   35.586   17.515   44.171   22.069   83.336   30.199 -39.16513 37.40347 
1 1 1  -17   33    1 o   61.572   16.648   10.598   7.8640   5.2071   10.357   17.938   12.085   51.859   21.797   71.284   25.171 -19.42518 33.29661 
1 1 1  -17   33    2 o   75.231   16.120   19.954   8.1172   29.413   10.750   7.4090   12.381   93.599   21.680   56.863   23.862 36.73616 32.24043 
1 1 1  -17   33    3 o  143.270   11.654   62.471   8.9636   66.792   12.362   57.681   13.016  149.598   15.293  136.942   17.589 12.65594 23.30768 
1 1 1  -17   33    4 o   41.343   13.949  -9.4234   8.2901  -9.1252   10.343  -9.9595   13.865   38.248   18.209   44.438   21.135 -6.190708 27.89750 
1 1 1  -17   33    5 o  102.817   16.515   32.427   9.3100   18.858   11.543   57.680   15.748   73.062   24.651  132.572   21.982 -59.50965 33.02903 
1 1 1  -17   33    6 o   80.711   18.638   18.515   9.9856   5.6068   12.283   43.671   17.147   54.838   23.421  106.583   29.000 -51.74450 37.27643 
1 1 1  -17   33    7 o   80.511   18.948   25.369   12.032   37.652   14.406  -2.9617   21.878  102.155   26.024   58.867   27.548 43.28769 37.89652 
1 1 1  -17   33    8 o  311.761   25.086  333.784   42.262   0.0000   0.0000  333.784   42.262  ?   ?   311.761   25.086      ?      ? 
1 1 1  -17   33   10 o   43.225   21.426 -31.2162   18.880 -31.2162   18.880   0.0000   0.0000   43.225   21.426  ?   ?       ?      ? 
1 1 1  -17   33   11 o  260.890   13.828  130.913   15.150   85.653   16.368  401.577   40.026  167.014   18.136  354.765   20.879 -187.7505 27.65621 
1 1 1  -17   33   14 o  313.980   10.629  260.590   17.064  187.838   20.672  416.216   30.234  252.093   15.175  375.867   14.886 -123.7737 21.25713 
1 1 1  -17   33   15 o   57.113   16.505  -6.1378   10.874   22.590   14.519 -42.8378   16.410   78.298   27.595   35.928   18.115 42.37056 33.01015 
1 1 1  -17   33   16 o   43.528   21.075 -15.8243   15.247   0.0000   0.0000 -15.8243   15.247  ?   ?    43.528   21.075      ?      ? 
1 1 1  -17   33   17 o  103.286   28.975   42.748   16.828   0.0000   0.0000   42.748   16.828  ?   ?   103.286   28.975      ?      ? 
1 1 1  -17   33   18 o   47.147   21.968  -2.7455   13.673  -2.7455   13.673   0.0000   0.0000   47.147   21.968  ?   ?       ?      ? 
1 1 1  -17   33   19 o   62.957   25.533   15.491   13.540   15.491   13.540   0.0000   0.0000   62.957   25.533  ?   ?       ?      ? 
1 1 1  -17   33   20 o   70.426   17.684   18.570   9.2930   32.748   13.828   6.8909   12.550   87.845   26.737   53.008   23.154 34.83726 35.36895 
1 1 1  -17   33   21 o   43.021   14.253  -4.5565   8.3443  -2.2273   11.152  -7.5189   12.577   43.769   20.202   42.272   20.112 1.497047 28.50655 
1 1 1  -17   33   22 o   49.515   15.662   2.2875   8.6087   0.9080   12.093   3.7051   12.258   48.119   21.756   50.912   22.536 -2.792522 31.32418 
1 1 1  -17   33   23 o   41.706   13.962  -6.8241   8.3388 -10.0537   11.368  -3.0614   12.270   38.586   18.561   44.827   20.862 -6.241173 27.92330 
1 1 1  -17   33   24 o   54.423   18.181   1.4278   14.183  -6.0225   22.371   6.4347   18.339   52.593   25.479   56.252   25.943 -3.659042 36.36282 
1 1 1  -17   33   25 o   46.502   16.060 -13.6955   13.739 -33.2883   22.258  -1.6347   17.464   43.078   21.638   49.927   23.738 -6.848934 32.12042 
1 1 1  -17   34    1 o   62.933   17.818   13.199   9.1613   12.989   12.270   13.464   13.771   62.391   24.638   63.475   25.747 -1.084335 35.63647 
1 1 1  -17   34    2 o   64.744   17.750   12.928   9.1509   5.4009   12.115   22.928   13.964   53.210   22.999   76.278   27.043 -23.06774 35.50045 
1 1 1  -17   34    3 o   65.254   17.901   12.644   9.3301   4.1757   12.135   24.887   14.591   51.917   22.721   78.590   27.668 -26.67266 35.80128 
1 1 1  -17   34    4 o  173.823   11.978   93.168   11.155   86.689   14.678  102.027   17.162  167.743   16.193  179.902   17.654 -12.15916 23.95581 
1 1 1  -17   34    5 o   59.039   17.254   10.490   8.9648   8.9324   12.536   12.120   12.826   57.063   23.982   61.016   24.812 -3.953159 34.50714 
1 1 1  -17   34    6 o   41.353   14.128 -14.8597   9.6527  -3.1374   13.935 -25.6731   13.384   47.523   22.155   35.182   17.537 12.34115 28.25631 
1 1 1  -17   34    7 o   42.487   14.530 -12.1601   10.162 -11.9302   14.780 -12.3662   13.995   43.188   20.871   41.787   20.222 1.400955 29.06057 
1 1 1  -17   34    8 o   59.713   18.057   11.637   10.348   11.029   14.466   12.273   14.808   59.022   25.317   60.404   25.754 -1.381622 36.11431 
1 1 1  -17   34    9 f   40.491   13.794 -15.6362   9.6584   0.4081   12.691 -37.7193   14.889   47.522   21.793   33.461   16.918 14.06025 27.58894 
1 1 1  -17   34   10 o   77.591   17.101   25.301   8.9361   33.798   11.686   13.335   13.867   94.839   23.032   60.344   25.285 34.49539 34.20253 
1 1 1  -17   34   11 f   71.506   26.287   22.022   13.339   0.0000   0.0000   22.022   13.339  ?   ?    71.506   26.287      ?      ? 
1 1 1  -17   34   12 o   47.778   15.230   2.1139   8.2892   1.8352   11.317   2.4364   12.176   46.981   21.162   48.576   21.909 -1.594711 30.46025 
1 1 1  -17   34   13 o   64.572   14.959   6.3265   8.4732 -16.8482   11.518   33.660   12.509   35.158   17.296   93.986   24.412 -58.82731 29.91779 
1 1 1  -17   34   14 o   53.557   16.202   5.7882   8.4613   0.4515   11.443   12.227   12.569   46.699   21.134   60.415   24.564 -13.71629 32.40436 
1 1 1  -17   34   15 o   55.427   15.277   5.9760   8.1345   18.817   10.669 -11.8517   12.571   70.932   23.701   39.922   19.282 31.01022 30.55355 
1 1 1  -17   34   16 o   70.254   17.538   18.593   8.2372   15.546   10.830   22.776   12.688   65.016   23.718   75.493   25.843 -10.47675 35.07678 
1 1 1  -17   34   17 o   64.225   18.313   16.181   10.927  -4.8401   22.895   22.382   12.435   54.425   26.220   74.025   25.572 -19.60033 36.62547 
1 1 1  -17   34   18 o   57.814   18.796   1.6700   11.212   31.149   23.080  -7.4354   12.827   73.730   31.806   41.898   20.038 31.83118 37.59220 
1 1 1  -17   34   19 o   48.244   16.151  -0.7811   9.8327  -0.9839   11.280  -0.1391   20.065   43.747   20.236   52.742   25.179 -8.995235 32.30271 
1 1 1  -17   34   20 o   50.324   17.368  -9.3474   15.611 -21.2635   22.530   1.6590   21.652   46.439   23.084   54.209   25.955 -7.769932 34.73503 
1 1 1  -17   35    1 o   67.829   16.089   17.419   6.9322   19.331   10.322   15.849   9.3561   70.590   23.300   65.067   22.192 5.523338 32.17750 
1 1 1  -17   35    2 o   40.069   12.770  -3.4407   6.6220 -19.2320   11.050   5.4085   8.2719   32.925   16.333   47.213   19.634 -14.28814 25.53934 
1 1 1  -17   35    3 o   75.861   16.599   21.484   7.7502   14.190   10.227   31.322   11.877   61.699   22.954   90.023   23.985 -28.32420 33.19864 
1 1 1  -17   35    4 o   45.765   14.673   1.0003   7.7428   0.7411   10.102   1.3695   12.055   44.151   19.931   47.379   21.541 -3.228443 29.34669 
1 1 1  -17   35    5 o   76.744   14.757   23.360   7.8938   36.098   10.226   4.5730   12.418  102.939   19.086   50.549   22.513 52.39015 29.51415 
1 1 1  -17   35    6 o  134.128   12.798   59.708   9.2266   62.950   12.757   56.152   13.361  139.510   16.922  128.745   19.205 10.76593 25.59653 
1 1 1  -17   35    7 o   57.813   16.422   11.535   8.3093   17.257   11.097   4.2336   12.536   65.599   23.997   50.026   22.424 15.57237 32.84363 
1 1 1  -17   35    8 o   49.128   15.579   3.1492   8.8545   8.5397   11.770  -3.8803   13.440   53.555   22.900   44.701   21.127 8.854034 31.15713 
1 1 1  -17   35    9 o   51.177   15.541   6.1935   8.2121   12.239   10.732  -2.3458   12.755   57.649   22.954   44.705   20.957 12.94362 31.08197 
1 1 1  -17   35   10 o   46.257   14.956   1.1514   8.3141  -0.8533   11.164   3.6474   12.458   43.594   20.153   48.919   22.103 -5.325516 29.91162 
1 1 1  -17   35   11 o   69.217   17.243   20.349   8.8497   28.516   11.911   10.287   13.222   82.801   24.729   55.633   24.036 27.16862 34.48579 
1 1 1  -16    0    1 o  233.357   3.8927  147.404   6.9332  147.404   6.9332  147.404   6.9332  233.357   5.5052  233.357   5.5052 0.000000 0.000000 
1 1 1  -16    0    2 o  136.129   3.6873   50.297   3.8231   50.297   3.8231   50.297   3.8231  136.129   5.2146  136.129   5.2146 0.000000 0.000000 
1 1 1  -16    0    3 o  359.346   4.9690  349.398   13.634  349.398   13.634  349.398   13.634  359.346   7.0272  359.346   7.0272 0.000000 0.000000 
1 1 1  -16    0    4 f  327.628   4.6689  290.450   11.679  290.450   11.679  290.450   11.679  327.628   6.6028  327.628   6.6028 0.000000 0.000000 
1 1 1  -16    0    5 o  422.555   5.5988  483.126   18.065  483.126   18.065  483.126   18.065  422.555   7.9180  422.555   7.9180 0.000000 0.000000 
1 1 1  -16    0    6 o  539.537   6.8353  787.747   28.162  787.747   28.162  787.747   28.162  539.537   9.6665  539.537   9.6665 0.000000 0.000000 
1 1 1  -16    0    7 o  564.625   7.1116  862.753   30.663  862.753   30.663  862.753   30.663  564.625   10.057  564.625   10.057 0.000000 0.000000 
1 1 1  -16    0    8 o  187.593   3.7466   95.326   5.3613   95.326   5.3613   95.326   5.3613  187.593   5.2985  187.593   5.2985 0.000000 0.000000 
1 1 1  -16    0    9 o  252.020   4.1002  171.917   7.8872  171.917   7.8872  171.917   7.8872  252.020   5.7985  252.020   5.7985 0.000000 0.000000 
1 1 1  -16    0   10 o  510.935   6.5473  706.459   25.545  706.459   25.545  706.459   25.545  510.935   9.2593  510.935   9.2593 0.000000 0.000000 
1 1 1  -16    0   11 o  341.036   4.8708  314.733   12.682  314.733   12.682  314.733   12.682  341.036   6.8883  341.036   6.8883 0.000000 0.000000 
1 1 1  -16    0   15 o  466.664   6.1296  589.292   21.842  589.292   21.842  589.292   21.842  466.664   8.6686  466.664   8.6686 0.000000 0.000000 
1 1 1  -16    0   16 o  107.253   5.0435   31.500   4.0918   31.500   4.0918   31.500   4.0918  107.253   7.1326  107.253   7.1326 0.000000 0.000000 
1 1 1  -16    0   17 o  443.482   5.9223  532.185   20.055  532.185   20.055  532.185   20.055  443.482   8.3754  443.482   8.3754 0.000000 0.000000 
1 1 1  -16    0   18 f  518.553   6.7014  727.612   26.536  727.612   26.536  727.612   26.536  518.553   9.4772  518.553   9.4772 0.000000 0.000000 
1 1 1  -16    0   19 o  734.100   9.0485  1458.61   50.727  1458.61   50.727  1458.61   50.727  734.100   12.796  734.100   12.796 0.000000 0.000000 
1 1 1  -16    0   20 o  594.924   7.5358  957.751   34.236  957.751   34.236  957.751   34.236  594.924   10.657  594.924   10.657 0.000000 0.000000 
1 1 1  -16    0   21 o  286.668   4.6563  222.430   10.188  222.430   10.188  222.430   10.188  286.668   6.5850  286.668   6.5850 0.000000 0.000000 
1 1 1  -16    0   22 o  802.448   9.8352  1742.87   60.271  1742.87   60.271  1742.87   60.271  802.448   13.909  802.448   13.909 0.000000 0.000000 
1 1 1  -16    0   23 o   54.624   11.820   10.039   4.3121   10.039   4.3121   10.039   4.3121   54.624   16.716   54.624   16.716 0.000000 0.000000 
1 1 1  -16    0   24 o  717.802   8.9052  1394.24   48.815  1394.24   48.815  1394.24   48.815  717.802   12.594  717.802   12.594 0.000000 0.000000 
1 1 1  -16    0   25 o  374.217   5.4994  378.941   15.712  378.941   15.712  378.941   15.712  374.217   7.7773  374.217   7.7773 0.000000 0.000000 
1 1 1  -16    0   26 o  331.377   5.4004  297.235   13.659  297.235   13.659  297.235   13.659  331.377   7.6373  331.377   7.6373 0.000000 0.000000 
1 1 1  -16    0   27 o  433.294   6.1354  508.028   20.297  508.028   20.297  508.028   20.297  433.294   8.6768  433.294   8.6768 0.000000 0.000000 
1 1 1  -16    0   28 o  277.222   5.4506  208.176   11.527  208.176   11.527  208.176   11.527  277.222   7.7083  277.222   7.7083 0.000000 0.000000 
1 1 1  -16    0   29 o  139.733   6.8359   53.530   7.2194   53.530   7.2194   53.530   7.2194  139.733   9.6675  139.733   9.6675 0.000000 0.000000 
1 1 1  -16    0   30 o  504.560   6.8049  688.902   26.217  688.902   26.217  688.902   26.217  504.560   9.6236  504.560   9.6236 0.000000 0.000000 
1 1 1  -16    0   31 o  376.121   5.7751  382.903   16.582  382.903   16.582  382.903   16.582  376.121   8.1673  376.121   8.1673 0.000000 0.000000 
1 1 1  -16    0   32 o   33.759   14.607   2.5555   7.1915   2.5555   7.1915   2.5555   7.1915   33.759   20.657   33.759   20.657 0.000000 0.000000 
1 1 1  -16    0   34 o  397.330   6.1632  427.364   18.694  427.364   18.694  427.364   18.694  397.330   8.7162  397.330   8.7162 0.000000 0.000000 
1 1 1  -16    0   35 o  1441.62   17.270  5643.00  190.134  5643.00  190.134  5643.00  190.134  1441.62   24.423  1441.62   24.423 0.000000 0.000000 
1 1 1  -16    0   36 o  1555.61   18.616  6576.10  221.165  6576.10  221.165  6576.10  221.165  1555.61   26.327  1555.61   26.327 0.000000 0.000000 
1 1 1  -16    0   37 o  126.562   9.9575   44.932   9.3256   44.932   9.3256   44.932   9.3256  126.562   14.082  126.562   14.082 0.000000 0.000000 
1 1 1  -16    0   38 o  996.589   12.152  2692.99   92.489  2692.99   92.489  2692.99   92.489  996.589   17.186  996.589   17.186 0.000000 0.000000 
1 1 1  -16    0   39 o  471.776   6.7488  602.681   24.309  602.681   24.309  602.681   24.309  471.776   9.5442  471.776   9.5442 0.000000 0.000000 
1 1 1  -16    0   40 o  168.054   7.3001   77.270   9.2942   77.270   9.2942   77.270   9.2942  168.054   10.324  168.054   10.324 0.000000 0.000000 
1 1 1  -16    0   41 o  442.866   6.4973  531.221   21.968  531.221   21.968  531.221   21.968  442.866   9.1885  442.866   9.1885 0.000000 0.000000 
1 1 1  -16    0   44 o  645.629   8.3425  1130.79   41.130  1130.79   41.130  1130.79   41.130  645.629   11.798  645.629   11.798 0.000000 0.000000 
1 1 1  -16    0   45 o  182.477   6.8393   90.930   9.4760   90.930   9.4760   90.930   9.4760  182.477   9.6723  182.477   9.6723 0.000000 0.000000 
1 1 1  -16    0   46 o  223.976   5.9149  136.394   10.092  136.394   10.092  136.394   10.092  223.976   8.3649  223.976   8.3649 0.000000 0.000000 
1 1 1  -16    0   47 o   31.313   13.866   1.5368   6.8526   1.5368   6.8526   1.5368   6.8526   31.313   19.609   31.313   19.609 0.000000 0.000000 
1 1 1  -16    0   48 f   39.542   15.782   5.7365   7.2972   5.7365   7.2972   5.7365   7.2972   39.542   22.319   39.542   22.319 0.000000 0.000000 
1 1 1  -16    0   49 o  191.244   6.0796   99.734   8.8442   99.734   8.8442   99.734   8.8442  191.244   8.5978  191.244   8.5978 0.000000 0.000000 
1 1 1  -16    0   50 o  348.155   5.8539  329.134   15.555  329.134   15.555  329.134   15.555  348.155   8.2786  348.155   8.2786 0.000000 0.000000 
1 1 1  -16    0   51 o  375.986   5.9574  383.967   17.098  383.967   17.098  383.967   17.098  375.986   8.4250  375.986   8.4250 0.000000 0.000000 
1 1 1  -16    0   52 o  135.618   7.8815   51.076   8.0414   51.076   8.0414   51.076   8.0414  135.618   11.146  135.618   11.146 0.000000 0.000000 
1 1 1  -16    0   53 o   34.785   14.829   3.4787   7.1805   3.4787   7.1805   3.4787   7.1805   34.785   20.972   34.785   20.972 0.000000 0.000000 
1 1 1  -16    0   54 o  269.639   5.7333  197.974   11.790  197.974   11.790  197.974   11.790  269.639   8.1081  269.639   8.1081 0.000000 0.000000 
1 1 1  -16    0   55 o  250.650   5.6986  171.271   10.890  171.271   10.890  171.271   10.890  250.650   8.0590  250.650   8.0590 0.000000 0.000000 
1 1 1  -16    0   56 o  252.599   5.9138  174.148   11.387  174.148   11.387  174.148   11.387  252.599   8.3634  252.599   8.3634 0.000000 0.000000 
1 1 1  -16    0   57 o  104.514   10.494   31.889   7.8936   31.889   7.8936   31.889   7.8936  104.514   14.841  104.514   14.841 0.000000 0.000000 
1 1 1  -16    0   58 o   29.028   13.433  -0.4789   7.3810  -0.4789   7.3810  -0.4789   7.3810   29.028   18.997   29.028   18.997 0.000000 0.000000 
1 1 1  -16    0   59 o  250.381   5.9040  171.518   11.268  171.518   11.268  171.518   11.268  250.381   8.3495  250.381   8.3495 0.000000 0.000000 
1 1 1  -16    0   60 o  354.918   6.0236  344.579   16.316  344.579   16.316  344.579   16.316  354.918   8.5187  354.918   8.5187 0.000000 0.000000 
1 1 1  -16    0   61 o  350.026   6.0387  335.239   16.131  335.239   16.131  335.239   16.131  350.026   8.5401  350.026   8.5401 0.000000 0.000000 
1 1 1  -16    0   62 o  103.155   11.645   32.025   8.4784   32.025   8.4784   32.025   8.4784  103.155   16.468  103.155   16.468 0.000000 0.000000 
1 1 1  -16    0   63 o   36.282   15.740   4.0975   8.4010   4.0975   8.4010   4.0975   8.4010   36.282   22.260   36.282   22.260 0.000000 0.000000 
1 1 1  -16    0   64 o   24.136   11.918  -6.6817   8.0554  -6.6817   8.0554  -6.6817   8.0554   24.136   16.855   24.136   16.855 0.000000 0.000000 
1 1 1  -16    0   65 o   76.653   18.365   22.282   9.6324   22.282   9.6324   22.282   9.6324   76.653   25.972   76.653   25.972 0.000000 0.000000 
1 1 1  -16    0   66 o  128.804   9.7718   48.984   9.3388   48.984   9.3388   48.984   9.3388  128.804   13.819  128.804   13.819 0.000000 0.000000 
1 1 1  -16    0   67 o  131.837   10.107   51.199   9.8792   51.199   9.8792   51.199   9.8792  131.837   14.293  131.837   14.293 0.000000 0.000000 
1 1 1  -16    1    1 o  269.661   4.1523  196.552   6.0505  195.348   8.5323  197.769   8.5812  268.831   5.8735  270.491   5.8710 -1.660553 8.304593 
1 1 1  -16    1    2 o  429.190   5.6529  497.976   13.108  491.185   18.342  505.065   18.740  426.202   7.9643  432.179   8.0245 -5.976807 11.30586 
1 1 1  -16    1    3 o  423.191   5.5947  484.268   12.794  483.143   18.100  485.391   18.087  422.700   7.9241  423.683   7.9001 -0.9833679 11.18937 
1 1 1  -16    1    4 o  382.901   5.1918  396.305   10.740  400.964   15.378  391.870   15.006  385.096   7.3902  380.707   7.2942 4.388794 10.38364 
1 1 1  -16    1    5 o  180.286   3.6849   87.854   3.5895   87.383   5.1004   88.316   5.0527  179.807   5.2494  180.765   5.1728 -0.9580994 7.369783 
1 1 1  -16    1    6 o  313.374   4.5648  265.470   7.7298  263.683   10.908  267.273   10.956  312.314   6.4632  314.433   6.4481 -2.119263 9.129688 
1 1 1  -16    1    7 o  236.396   3.9847  150.816   5.0854  156.570   7.3866  145.632   7.0118  240.675   5.6797  232.117   5.5903 8.558029 7.969369 
1 1 1  -16    1    8 o  195.035   3.7886  102.807   3.9926  103.557   5.6835  102.076   5.6099  195.737   5.3735  194.333   5.3422 1.403961 7.577136 
1 1 1  -16    1    9 o  418.968   5.5857  474.579   12.644  468.254   17.704  481.164   18.064  416.121   7.8736  421.816   7.9251 -5.694794 11.17144 
1 1 1  -16    1   10 o  544.282   6.9051  801.464   20.308  796.107   28.556  806.945   28.886  542.444   9.7420  546.120   9.7884 -3.676208 13.81015 
1 1 1  -16    1   11 f  157.412   4.6452   66.648   3.7633   65.882   4.6464   68.108   6.4162  156.119   5.5078  158.705   7.4817 -2.585999 9.290396 
1 1 1  -16    1   12 o  937.371   22.769  2391.89  115.328   0.0000   0.0000  2391.89  115.328  ?   ?   937.371   22.769      ?      ? 
1 1 1  -16    1   14 o  414.845   11.254  465.766   25.227   0.0000   0.0000  465.766   25.227  ?   ?   414.845   11.254      ?      ? 
1 1 1  -16    1   15 o  834.966   10.172  1888.74   45.895  1892.07   65.047  1885.44   64.766  835.696   14.404  834.235   14.367 1.461060 20.34441 
1 1 1  -16    1   16 o  716.344   8.8337  1389.23   34.194  1392.00   48.456  1386.49   48.260  717.053   12.506  715.634   12.480 1.419006 17.66737 
1 1 1  -16    1   17 o  558.954   7.1169  845.176   21.495  846.740   30.482  843.628   30.317  559.467   10.083  558.441   10.047 1.026611 14.23371 
1 1 1  -16    1   18 o  376.710   5.3049  383.532   10.796  388.968   15.483  378.389   15.061  379.305   7.5539  374.115   7.4502 5.190643 10.60972 
1 1 1  -16    1   19 o  441.759   5.9285  527.646   14.152  528.899   20.097  526.413   19.931  442.278   8.4092  441.239   8.3591 1.038391 11.85702 
1 1 1  -16    1   20 f  196.494   4.3030  104.310   4.5663   99.425   6.3896  109.409   6.5280  191.794   6.1652  201.195   6.0045 -9.401031 8.606046 
1 1 1  -16    1   21 o  474.738   6.2904  609.323   16.135  614.751   23.014  604.075   22.629  476.816   8.9320  472.661   8.8599 4.155426 12.58088 
1 1 1  -16    1   22 o  1251.56   15.001  4245.54  101.379  4342.96  146.808  4156.73  140.165  1265.21   21.473  1237.90   20.954 27.30200 30.00281 
1 1 1  -16    1   23 f  376.249   5.4297  382.623   11.038  380.048   15.466  385.295   15.758  374.960   7.6330  377.538   7.7242 -2.577393 10.85941 
1 1 1  -16    1   24 o  327.671   5.0766  290.100   8.9866  285.436   12.544  295.018   12.880  324.967   7.1436  330.375   7.2150 -5.407837 10.15317 
1 1 1  -16    1   25 o  487.705   6.4794  642.871   17.072  633.646   23.843  652.575   24.456  484.118   9.1144  491.292   9.2119 -7.174225 12.95887 
1 1 1  -16    1   26 o  532.196   6.9776  765.546   20.060  753.171   27.946  778.698   28.811  527.764   9.7994  536.627   9.9358 -8.862915 13.95521 
1 1 1  -16    1   27 o  979.542   11.877  2598.80   62.865  2603.54   89.053  2594.09   88.757  980.431   16.809  978.653   16.784 1.777771 23.75365 
1 1 1  -16    1   28 o  716.427   8.9536  1388.71   34.662  1393.36   49.108  1384.11   48.932  717.620   12.664  715.234   12.661 2.386047 17.90718 
1 1 1  -16    1   29 o  677.680   8.5440  1242.38   31.286  1235.35   43.929  1249.61   44.567  675.739   12.031  679.620   12.135 -3.881287 17.08810 
1 1 1  -16    1   30 o  602.806   7.7425  982.354   25.209  964.073   35.013  1002.03   36.323  596.993   10.854  608.619   11.045 -11.62543 15.48507 
1 1 1  -16    1   31 o  796.148   9.8416  1714.84   42.311  1677.92   58.557  1755.18   61.205  787.208   13.766  805.088   14.069 -17.88000 19.68314 
1 1 1  -16    1   32 o  539.983   7.1784  788.760   20.944  786.217   29.419  791.374   29.824  539.104   10.099  540.862   10.204 -1.757996 14.35674 
1 1 1  -16    1   33 o  527.273   10.117  752.067   28.826  752.067   28.826   0.0000   0.0000  527.273   10.117  ?   ?       ?      ? 
1 1 1  -16    1   34 o  311.786   5.8162  262.828   9.7978  259.929   13.723  265.843   13.994  310.034   8.1910  313.539   8.2596 -3.505219 11.63245 
1 1 1  -16    1   35 o  1057.46   12.842  3034.80   73.381  3019.15  103.207  3050.81  104.354  1054.72   18.109  1060.20   18.215 -5.488159 25.68488 
1 1 1  -16    1   36 o  852.419   10.544  1969.09   48.559  1947.45   67.990  1991.61   69.375  847.653   14.844  857.185   14.978 -9.532898 21.08702 
1 1 1  -16    1   37 o  308.539   5.8998  257.507   9.8357  256.460   13.819  258.581   14.002  307.905   8.3058  309.172   8.3811 -1.267120 11.79957 
1 1 1  -16    1   38 o  477.416   6.7494  616.714   17.410  607.950   24.412  625.786   24.837  473.966   9.5316  480.866   9.5586 -6.900269 13.49881 
1 1 1  -16    1   39 o  845.055   10.463  1938.36   47.770  1957.01   68.235  1920.44   66.898  849.018   14.873  841.092   14.719 7.926208 20.92511 
1 1 1  -16    1   40 o  115.735   9.1527   36.309   5.7186   34.150   7.9568   38.616   8.2246  112.173   13.127  119.298   12.758 -7.125275 18.30548 
1 1 1  -16    1   41 o  410.272   7.5965  452.877   15.799  465.991   27.817  446.633   19.196  414.400   12.422  406.143   8.7468 8.256165 15.19291 
1 1 1  -16    1   44 o  368.185   5.9888  367.484   11.913  363.697   16.967  371.167   16.729  366.300   8.5721  370.071   8.3656 -3.771179 11.97762 
1 1 1  -16    1   45 o  321.634   5.6886  280.297   9.8845  286.296   14.164  274.602   13.801  324.985   8.0653  318.284   8.0244 6.701355 11.37718 
1 1 1  -16    1   46 o  245.372   5.7077  163.114   7.5625  168.969   10.951  157.777   10.456  249.570   8.1207  241.174   8.0229 8.395279 11.41543 
1 1 1  -16    1   47 o  243.528   5.7933  160.808   7.6157  158.456   10.501  163.418   11.061  241.670   8.0413  245.386   8.3417 -3.715775 11.58651 
1 1 1  -16    1   48 o  142.742   7.4447   55.457   5.7399   53.580   7.9884   57.460   8.2531  140.246   10.541  145.238   10.516 -4.991669 14.88944 
1 1 1  -16    1   49 o   92.108   10.661   23.856   5.1176   19.395   7.1679   28.495   7.3090   82.314   16.686  101.903   13.273 -19.58941 21.32168 
1 1 1  -16    1   50 o   92.748   11.026   24.146   5.3633   20.459   7.4442   28.125   7.7339   84.450   16.903  101.047   14.164 -16.59631 22.05271 
1 1 1  -16    1   51 o   49.111   13.328   3.7593   5.2227   8.4382   7.5082  -0.6271   7.2697   57.193   19.864   41.029   17.775 16.16345 26.65556 
1 1 1  -16    1   52 o  134.812   7.8651   49.926   5.7146   54.477   8.1339   45.491   8.0303  140.967   10.678  128.658   11.551 12.30917 15.73028 
1 1 1  -16    1   53 o  428.887   6.3062  502.560   14.615  502.818   20.703  502.304   20.635  428.989   8.9308  428.784   8.9058 0.2057800 12.61243 
1 1 1  -16    1   54 o  250.088   5.7750  170.753   7.8040  170.609   10.983  170.900   11.091  249.994   8.1301  250.183   8.2040 -0.1892090 11.55006 
1 1 1  -16    1   55 o  190.928   6.2367   99.924   6.4324   97.568   9.1294  102.246   9.0644  188.652   8.9556  193.205   8.6823 -4.553162 12.47338 
1 1 1  -16    1   56 o   64.643   13.529   11.873   5.4527   5.5314   7.6607   18.386   7.7628   50.891   19.648   78.394   18.605 -27.50338 27.05884 
1 1 1  -16    1   57 o  235.917   5.8681  152.506   7.4723  142.681   10.394  163.015   10.750  228.003   8.4365  243.832   8.1586 -15.82919 11.73616 
1 1 1  -16    1   58 o  122.396   8.4404   41.803   5.5730   38.569   7.7383   45.289   8.0328  117.395   12.199  127.398   11.669 -10.00361 16.88074 
1 1 1  -16    1   59 o   48.874   13.589   4.1403   5.4753   8.5331   7.8531  -0.0152   7.6379   56.031   20.234   41.717   18.146 14.31437 27.17862 
1 1 1  -16    1   60 o   98.688   11.573   29.140   5.7845   40.868   8.3973   18.550   7.9796  120.038   12.946   77.337   19.187 42.70145 23.14561 
1 1 1  -16    1   61 o  141.765   7.8926   56.302   6.0421   55.310   8.3665   57.385   8.7351  140.525   11.018  143.005   11.304 -2.479019 15.78528 
1 1 1  -16    1   62 o  194.825   6.8396  106.011   7.1930  102.348   10.275  109.531   10.073  191.350   9.9374  198.300   9.4004 -6.950256 13.67911 
1 1 1  -16    1   63 o   63.264   14.834   12.645   6.0788   16.283   8.5172   8.8675   8.6785   70.549   20.875   55.980   21.082 14.56913 29.66824 
1 1 1  -16    1   64 o  123.948   9.6374   44.867   6.4357   49.067   9.1742   40.798   9.0303  130.043   13.055  117.853   14.180 12.18937 19.27472 
1 1 1  -16    1   65 o  107.299   16.914   34.770   9.8070   34.770   9.8070   0.0000   0.0000  107.299   16.914  ?   ?       ?      ? 
1 1 1  -16    1   66 o   87.563   13.060   26.232   6.3646   40.720   9.2449   13.179   8.7753  114.654   14.922   60.473   21.438 54.18010 26.12038 
1 1 1  -16    1   67 o   34.515   11.677  -8.4676   6.1785  -5.8505   8.9012 -10.9007   8.5829   36.700   17.299   32.330   15.691 4.370205 23.35476 
1 1 1  -16    2    1 o  433.566   5.7050  508.236   13.364  513.147   19.099  503.524   18.706  435.615   8.1137  431.516   8.0222 4.099426 11.40997 
1 1 1  -16    2    2 o  348.124   4.8600  327.584   9.1415  322.754   12.832  332.561   13.026  345.519   6.8730  350.729   6.8730 -5.209625 9.719944 
1 1 1  -16    2    3 o  610.269   7.6093  1007.78   25.093  1007.69   35.528  1007.87   35.445  610.241   10.774  610.297   10.748 -0.5664063E-01 15.21854 
1 1 1  -16    2    4 o  334.379   4.7492  302.232   8.5806  297.964   12.061  306.606   12.210  331.988   6.7232  336.769   6.7096 -4.780334 9.498370 
1 1 1  -16    2    5 o  411.834   5.5021  458.488   12.241  464.169   17.552  453.109   17.081  414.314   7.8400  409.354   7.7218 4.960510 11.00414 
1 1 1  -16    2    6 o  616.765   7.6862  1029.07   25.610  1014.21   35.744  1044.76   36.712  612.195   10.805  621.335   10.934 -9.140381 15.37242 
1 1 1  -16    2    7 o  172.887   5.2420   80.788   4.8972   0.0000   0.0000   80.788   4.8972  ?   ?   172.887   5.2420      ?      ? 
1 1 1  -16    2    8 o  203.761   3.8441  112.171   4.2310  114.019   6.0854  110.442   5.8866  205.384   5.4832  202.138   5.3893 3.245758 7.688262 
1 1 1  -16    2    9 o  500.852   6.4389  678.531   17.426  673.421   24.506  683.756   24.784  498.946   9.0892  502.758   9.1228 -3.811890 12.87782 
1 1 1  -16    2   10 o  260.278   4.2036  183.074   5.9106  185.361   8.4780  180.912   8.2445  261.858   5.9916  258.698   5.8977 3.159943 8.407282 
1 1 1  -16    2   11 o  241.975   5.8294  158.363   7.6216  157.545   10.828  159.167   10.730  241.353   8.3022  242.596   8.1853 -1.242401 11.65872 
1 1 1  -16    2   12 o  975.658   23.648  2592.34  124.678   0.0000   0.0000  2592.34  124.678  ?   ?   975.658   23.648      ?      ? 
1 1 1  -16    2   14 o  419.566   8.0045  476.197   18.142  468.018   25.260  484.910   26.072  415.852   11.241  423.280   11.399 -7.428040 16.00910 
1 1 1  -16    2   15 o  348.775   5.0074  328.875   9.4372  329.392   13.379  328.362   13.314  349.048   7.0933  348.502   7.0698 0.5457153 10.01486 
1 1 1  -16    2   16 o  545.555   6.9697  805.069   20.545  811.118   29.273  799.196   28.843  547.572   9.8931  543.538   9.8202 4.033936 13.93946 
1 1 1  -16    2   17 o  653.555   8.1464  1155.85   28.769  1159.72   40.835  1152.04   40.539  654.640   11.544  652.471   11.498 2.168518 16.29280 
1 1 1  -16    2   18 o  647.895   8.0894  1135.64   28.319  1125.66   39.741  1145.93   40.364  645.006   11.402  650.783   11.478 -5.776550 16.17882 
1 1 1  -16    2   19 o  904.349   10.975  2214.95   53.629  2196.40   75.197  2234.16   76.506  900.505   15.453  908.192   15.590 -7.687439 21.95088 
1 1 1  -16    2   20 o  476.034   6.2900  612.732   16.180  609.633   22.794  615.880   22.970  474.822   8.8838  477.247   8.9069 -2.425568 12.57990 
1 1 1  -16    2   21 o  529.032   6.8407  756.703   19.553  748.372   27.371  765.385   27.941  526.061   9.6287  532.003   9.7195 -5.941406 13.68140 
1 1 1  -16    2   22 o  1070.07   12.890  3101.80   74.512  3060.77  103.965  3145.13  106.845  1062.82   18.103  1077.32   18.354 -14.50378 25.77902 
1 1 1  -16    2   23 o  581.660   7.4199  914.726   23.317  904.671   32.617  925.235   33.347  578.394   10.436  584.925   10.550 -6.531006 14.83979 
1 1 1  -16    2   24 o  724.407   8.9786  1419.59   35.146  1422.17   49.824  1417.04   49.585  725.060   12.717  723.754   12.679 1.306152 17.95724 
1 1 1  -16    2   25 o  352.507   5.3640  335.882   10.217  335.324   14.365  336.453   14.534  352.211   7.5476  352.802   7.6238 -0.5910645 10.72799 
1 1 1  -16    2   26 o  816.343   10.024  1803.62   44.217  1797.70   62.316  1809.63   62.750  814.996   14.150  817.691   14.202 -2.694946 20.04767 
1 1 1  -16    2   27 o  415.157   5.9460  465.229   13.322  452.445   18.289  479.680   19.444  409.094   8.2732  421.219   8.5424 -12.12436 11.89191 
1 1 1  -16    2   28 o  856.074   10.491  1983.94   48.532  1985.66   68.668  1982.21   68.602  856.445   14.838  855.703   14.836 0.7426147 20.98277 
1 1 1  -16    2   29 o  946.299   11.510  2424.87   58.846  2399.30   82.337  2451.57   84.134  941.212   16.189  951.385   16.365 -10.17346 23.01979 
1 1 1  -16    2   30 f  466.895   6.4332  589.387   16.229  596.239   23.133  582.746   22.774  469.566   9.1170  464.224   9.0789 5.342010 12.86641 
1 1 1  -16    2   31 o  618.843   7.9159  1036.07   26.468  1026.57   37.120  1045.90   37.752  615.960   11.152  621.726   11.237 -5.765869 15.83189 
1 1 1  -16    2   32 o  771.106   9.5812  1609.43   39.909  1634.82   57.347  1585.58   55.576  776.987   13.659  765.224   13.440 11.76337 19.16242 
1 1 1  -16    2   33 o  199.380   8.6253  107.499   9.2927  107.499   9.2927   0.0000   0.0000  199.380   8.6253  ?   ?       ?      ? 
1 1 1  -16    2   34 o  430.734   6.3620  501.437   14.799  491.707   20.501  512.023   21.384  426.379   8.8979  435.088   9.0955 -8.708984 12.72400 
1 1 1  -16    2   35 o  628.752   8.1688  1069.60   27.744  1054.10   38.611  1086.15   39.892  624.055   11.450  633.449   11.654 -9.394165 16.33765 
1 1 1  -16    2   36 o  222.785   6.5329  134.041   7.8338  131.802   10.579  136.758   11.656  220.740   8.8692  224.830   9.5945 -4.089798 13.06586 
1 1 1  -16    2   37 o  287.672   5.9763  223.655   9.2818  228.885   13.467  218.923   12.810  290.867   8.5684  284.477   8.3334 6.389679 11.95254 
1 1 1  -16    2   38 o  490.553   6.8487  650.958   18.148  638.737   25.271  663.974   26.079  485.806   9.6267  495.300   9.7441 -9.494080 13.69744 
1 1 1  -16    2   39 o  145.777   8.2397   57.554   6.4834   56.803   8.9348   58.389   9.4223  144.782   11.420  146.771   11.880 -1.989273 16.47937 
1 1 1  -16    2   40 o  348.155   5.9068  327.976   11.110  336.043   15.882  320.245   15.549  352.347   8.3414  343.963   8.3654 8.383606 11.81354 
1 1 1  -16    2   41 o  312.268   7.2469  265.081   11.649  261.487   19.675  267.022   14.455  310.489   11.727  314.048   8.5177 -3.558838 14.49371 
1 1 1  -16    2   44 o  203.609   6.3197  112.017   6.9408  119.692   10.183  105.357   9.4859  210.097   8.9692  197.121   8.9055 12.97678 12.63945 
1 1 1  -16    2   45 o   99.130   11.018   27.299   5.5796   18.789   7.5817   37.353   8.2410   81.196   17.773  117.065   13.028 -35.86920 22.03647 
1 1 1  -16    2   46 o  108.884   9.2624   32.380   5.4490   32.886   7.6923   31.871   7.7199  109.748   12.971  108.020   13.226 1.727890 18.52475 
1 1 1  -16    2   47 o  445.548   6.4667  539.072   15.565  547.198   22.322  531.381   21.716  448.799   9.2042  442.297   9.0861 6.502960 12.93344 
1 1 1  -16    2   48 o  129.326   8.3767   45.322   5.7646   57.355   8.5506   35.295   7.8052  145.048   10.909  113.603   12.715 31.44485 16.75335 
1 1 1  -16    2   49 o  485.764   6.7999  642.392   17.839  656.023   25.751  629.815   24.736  490.675   9.7121  480.854   9.5200 9.821594 13.59982 
1 1 1  -16    2   50 o   55.762   13.705   7.7939   5.0891   9.7262   7.3718   6.0345   7.0344   59.877   19.687   51.646   19.072 8.231232 27.41018 
1 1 1  -16    2   51 o  221.536   5.8744  133.516   7.0233  124.435   9.8040  143.089   10.066  213.766   8.4875  229.305   8.1238 -15.53865 11.74874 
1 1 1  -16    2   52 o  108.194   9.2806   32.166   5.4109   34.824   8.0198   29.946   7.3308  112.257   13.221  104.132   13.028 8.124550 18.56129 
1 1 1  -16    2   53 o  141.130   7.7799   54.772   5.9275   53.914   8.5278   55.575   8.2449  140.000   11.273  142.260   10.725 -2.259949 15.55977 
1 1 1  -16    2   54 o  187.814   6.2353   96.371   6.3243  100.225   9.1323   92.820   8.7668  191.414   8.8291  184.213   8.8071 7.200912 12.47070 
1 1 1  -16    2   55 o  146.987   7.3317   59.357   5.8148   63.082   8.5013   56.083   7.9710  151.299   10.398  142.675   10.339 8.623413 14.66342 
1 1 1  -16    2   56 o  126.093   8.2857   44.038   5.6307   48.725   8.1670   39.791   7.7736  132.563   11.401  119.623   12.026 12.93959 16.57142 
1 1 1  -16    2   57 o  260.959   5.7544  186.002   8.0987  201.561   11.864  172.424   11.083  271.159   8.0966  250.758   8.1791 20.40054 11.50884 
1 1 1  -16    2   58 f   57.738   13.681   8.8773   5.3754   3.5565   7.5713   14.285   7.6331   46.960   19.076   68.517   19.617 -21.55721 27.36291 
1 1 1  -16    2   59 f  247.858   5.8822  169.104   7.8774  166.097   11.128  172.124   11.153  245.613   8.3845  250.103   8.2523 -4.489410 11.76441 
1 1 1  -16    2   60 o  120.215   9.0140   40.954   5.8402   44.660   8.3250   37.361   8.1951  125.787   12.248  114.642   13.229 11.14503 18.02809 
1 1 1  -16    2   61 o   93.999   12.125   26.786   5.8982   18.509   8.2707   35.351   8.4137   76.890   19.790  111.108   14.014 -34.21799 24.24908 
1 1 1  -16    2   62 o  155.805   7.7360   68.345   6.5126   68.299   9.2642   68.391   9.1571  155.712   11.010  155.898   10.870 -0.1852112 15.47201 
1 1 1  -16    2   63 o   59.612   14.980   10.959   6.0586   11.651   8.7479   10.321   8.3990   60.946   21.426   58.279   20.940 2.666565 29.95927 
1 1 1  -16    2   64 o   77.315   12.516   18.771   6.1576   3.6835   8.6875   34.002   8.7290   47.555   19.974  107.076   15.086 -59.52053 25.03130 
1 1 1  -16    2   65 f   36.196   12.021  -7.5405   6.1277  -2.2798   8.5693 -13.0451   8.7657   40.251   18.246   32.141   15.657 8.109901 24.04301 
1 1 1  -16    2   66 o   94.556   13.237   30.052   6.6096   39.526   9.6891   21.805   9.0395  111.671   16.057   77.441   21.050 34.23008 26.47470 
1 1 1  -16    2   67 o   74.845   16.245   21.801   7.3274   15.986   13.995   23.996   8.6003   65.328   26.146   84.363   19.286 -19.03451 32.48917 
1 1 1  -16    2   68 o   59.326   25.317   13.662   14.331   13.662   14.331   0.0000   0.0000   59.326   25.317  ?   ?       ?      ? 
1 1 1  -16    3    1 o  515.112   6.5907  717.754   18.345  717.518   26.017  717.988   25.871  515.026   9.3484  515.198   9.2928 -0.1724243 13.18143 
1 1 1  -16    3    2 o  456.592   8.4135  563.812   20.758   0.0000   0.0000  563.812   20.758  ?   ?   456.592   8.4135      ?      ? 
1 1 1  -16    3    3 o  625.863   7.7918  1060.01   26.350  1065.51   37.507  1054.65   37.026  627.462   11.062  624.264   10.976 3.198242 15.58354 
1 1 1  -16    3    4 o  627.432   7.8112  1065.32   26.481  1071.97   37.744  1058.88   37.162  629.354   11.099  625.510   10.995 3.843750 15.62243 
1 1 1  -16    3    5 o  541.918   6.8766  794.502   20.137  792.497   28.470  796.510   28.487  541.233   9.7344  542.603   9.7156 -1.369873 13.75325 
1 1 1  -16    3    6 o  440.056   5.8066  523.700   13.807  524.438   19.601  522.974   19.453  440.363   8.2371  439.750   8.1863 0.6127625 11.61313 
1 1 1  -16    3    7 o  171.122   3.8306   79.104   3.5404   80.585   5.1027   77.729   4.9161  172.665   5.4690  169.579   5.3649 3.085587 7.661102 
1 1 1  -16    3    8 o  179.761   3.8449   87.299   3.7313   88.356   5.4088   86.339   5.1541  180.797   5.5363  178.725   5.3368 2.072449 7.689757 
1 1 1  -16    3    9 o  623.563   7.7812  1052.31   26.216  1060.40   37.402  1044.51   36.756  625.911   11.059  621.216   10.950 4.695679 15.56232 
1 1 1  -16    3   10 o  553.655   9.9440  829.802   29.730  809.685   41.135  851.802   43.017  546.652   13.926  560.658   14.199 -14.00574 19.88800 
1 1 1  -16    3   11 o  150.298   5.7060   61.110   4.6319   60.338   6.6305   61.847   6.4732  149.368   8.2149  151.229   7.9213 -1.861374 11.41192 
1 1 1  -16    3   12 o  141.283   8.6740   53.986   6.6221   0.0000   0.0000   53.986   6.6221  ?   ?   141.283   8.6740      ?      ? 
1 1 1  -16    3   13 o  599.151   10.687  970.564   34.534  1009.01   50.741  937.387   47.136  610.145   15.390  588.158   14.831 21.98706 21.37301 
1 1 1  -16    3   14 o  431.518   8.1639  502.931   19.010  484.910   26.061  523.423   27.791  423.284   11.394  439.752   11.695 -16.46826 16.32784 
1 1 1  -16    3   15 o  566.312   7.1930  867.659   22.011  868.318   31.197  867.005   31.061  566.524   10.191  566.099   10.154 0.4257202 14.38595 
1 1 1  -16    3   16 o  595.896   7.5204  960.447   24.210  973.033   34.707  948.520   33.787  599.691   10.710  592.100   10.560 7.590576 15.04086 
1 1 1  -16    3   17 o  498.360   6.4903  671.511   17.475  662.528   24.453  680.886   24.983  494.957   9.1428  501.764   9.2142 -6.806915 12.98051 
1 1 1  -16    3   18 o  603.657   7.6174  985.528   24.843  973.310   34.747  998.304   35.534  599.834   10.720  607.480   10.825 -7.645569 15.23472 
1 1 1  -16    3   19 o  1088.39   13.096  3210.04   76.985  3153.95  106.931  3270.40  110.925  1078.56   18.347  1098.22   18.692 -19.65991 26.19166 
1 1 1  -16    3   20 o  521.370   6.7612  735.062   19.048  729.920   26.822  740.293   27.055  519.531   9.5542  523.208   9.5695 -3.677612 13.52249 
1 1 1  -16    3   21 o  998.383   12.063  2699.91   65.067  2726.35   92.974  2674.53   91.093  1003.16   17.152  993.607   16.966 9.550415 24.12524 
1 1 1  -16    3   22 f  342.372   5.1432  316.776   9.5135  313.412   13.300  320.302   13.613  340.511   7.2284  344.232   7.3185 -3.720551 10.28644 
1 1 1  -16    3   23 o  1127.52   13.555  3444.65   82.584  3462.02  117.469  3427.67  116.127  1130.32   19.232  1124.72   19.107 5.599854 27.11034 
1 1 1  -16    3   24 o  198.640   4.8000  106.647   5.1522  106.577   7.3043  106.717   7.2684  198.575   6.8072  198.706   6.7693 -0.1312103 9.600028 
1 1 1  -16    3   25 o  925.872   11.249  2320.98   56.280  2324.47   79.711  2317.51   79.473  926.564   15.921  925.180   15.897 1.384399 22.49819 
1 1 1  -16    3   26 o  883.866   10.782  2113.99   51.477  2080.99   71.609  2149.27   74.052  876.748   15.115  890.984   15.381 -14.23553 21.56444 
1 1 1  -16    3   27 o  632.816   8.0452  1083.17   27.510  1088.83   39.017  1077.57   38.795  634.461   11.380  631.172   11.375 3.289001 16.09039 
1 1 1  -16    3   28 o  996.544   12.070  2690.05   64.995  2703.57   92.378  2676.78   91.462  999.018   17.112  994.069   17.027 4.949097 24.14015 
1 1 1  -16    3   29 o  613.024   7.8469  1016.45   25.992  1008.98   36.511  1024.12   37.010  610.743   11.063  615.305   11.131 -4.561584 15.69378 
1 1 1  -16    3   30 o  404.908   5.8939  442.923   12.888  432.919   17.860  453.793   18.617  400.144   8.2602  409.672   8.4097 -9.528107 11.78782 
1 1 1  -16    3   31 o  382.208   5.8113  395.010   12.002  395.424   16.969  394.595   16.978  382.409   8.2120  382.007   8.2249 0.4014893 11.62267 
1 1 1  -16    3   32 o  601.761   7.7823  976.846   25.251  937.244   34.369  1023.30   37.224  588.563   10.806  614.959   11.202 -26.39545 15.56468 
1 1 1  -16    3   33 o  266.689   5.7392  192.355   8.2647  193.383   11.487  191.252   11.900  267.432   7.9491  265.946   8.2804 1.486145 11.47836 
1 1 1  -16    3   34 o  493.676   6.8531  658.243   18.261  637.620   25.114  681.380   26.601  485.492   9.5731  501.860   9.8091 -16.36792 13.70628 
1 1 1  -16    3   35 o  674.172   8.6070  1229.92   31.345  1209.26   43.650  1251.91   45.040  668.340   12.086  680.005   12.257 -11.66449 17.21409 
1 1 1  -16    3   36 o  316.358   5.9537  269.745   10.153  257.547   13.788  284.194   15.007  308.579   8.2691  324.137   8.5678 -15.55811 11.90737 
1 1 1  -16    3   37 o  316.044   5.8695  269.828   10.017  282.179   14.480  258.494   13.871  322.970   8.2971  309.118   8.3044 13.85168 11.73899 
1 1 1  -16    3   38 o  501.108   6.9626  678.513   18.831  703.129   27.462  656.668   25.871  509.660   9.9717  492.557   9.7200 17.10330 13.92526 
1 1 1  -16    3   39 f  505.484   6.9747  691.812   19.047  698.832   27.286  685.140   26.599  507.975   9.9405  502.993   9.7863 4.982758 13.94940 
1 1 1  -16    3   40 o  361.546   5.9846  353.759   11.689  343.587   16.403  364.256   16.663  356.261   8.5205  366.830   8.4060 -10.56860 11.96914 
1 1 1  -16    3   41 o  233.067   12.059  147.387   15.188  147.387   15.188   0.0000   0.0000  233.067   12.059  ?   ?       ?      ? 
1 1 1  -16    3   43 o  122.085   16.538   40.721   10.910   40.721   10.910   0.0000   0.0000  122.085   16.538  ?   ?       ?      ? 
1 1 1  -16    3   44 o  332.026   5.7869  298.521   10.378  287.585   14.450  310.172   14.915  325.748   8.2090  338.305   8.1588 -12.55664 11.57380 
1 1 1  -16    3   45 o  262.285   5.6300  186.499   7.9786  182.905   11.247  190.138   11.320  259.736   8.0136  264.834   7.9101 -5.097595 11.25999 
1 1 1  -16    3   46 o  374.737   5.9395  380.956   12.023  387.162   17.274  375.124   16.745  377.683   8.4640  371.791   8.3348 5.892456 11.87896 
1 1 1  -16    3   47 o   40.290   12.439  -1.7562   5.2290   1.1618   7.0297  -5.3707   7.8238   43.247   18.052   37.334   17.117 5.913067 24.87735 
1 1 1  -16    3   48 o  247.363   5.7718  166.176   7.7143  163.198   10.869  169.200   10.951  245.123   8.2055  249.604   8.1193 -4.480667 11.54351 
1 1 1  -16    3   49 o   91.810   11.792   24.024   5.6345   23.736   7.9320   24.317   8.0053   91.235   16.705   92.385   16.648 -1.149803 23.58404 
1 1 1  -16    3   50 o  358.534   5.9115  349.671   11.452  353.449   16.342  346.026   16.052  360.427   8.3910  356.640   8.3292 3.786957 11.82303 
1 1 1  -16    3   51 o   74.376   12.957   16.397   5.3918   9.6473   7.8202   22.512   7.4440   60.024   20.290   88.728   16.120 -28.70412 25.91376 
1 1 1  -16    3   52 o  353.636   5.8927  341.000   11.260  342.230   16.000  339.793   15.850  354.258   8.3580  353.014   8.3091 1.244476 11.78546 
1 1 1  -16    3   53 o   77.708   12.775   17.732   5.2604   18.190   7.2844   17.233   7.6045   78.887   17.542   76.529   18.576 2.358170 25.55013 
1 1 1  -16    3   54 o  145.026   7.3382   57.854   5.7460   55.086   8.1128   60.641   8.1395  141.486   10.611  148.566   10.139 -7.080078 14.67645 
1 1 1  -16    3   55 o   93.143   10.853   24.981   5.2881   22.270   7.6724   27.434   7.2987   87.217   16.890   99.070   13.634 -11.85283 21.70580 
1 1 1  -16    3   56 o  353.957   5.9228  343.350   11.327  349.546   16.165  337.373   15.876  357.093   8.3773  350.821   8.3748 6.271240 11.84552 
1 1 1  -16    3   57 o   95.162   10.920   26.314   5.4120   30.627   7.6124   21.906   7.6956  104.362   13.499   85.963   17.168 18.39881 21.83930 
1 1 1  -16    3   58 o  244.193   5.7780  163.340   7.6128  172.030   11.147  155.742   10.422  250.229   8.2436  238.157   8.0985 12.07169 11.55605 
1 1 1  -16    3   59 o   42.974   12.968   1.0977   5.3292   2.0852   7.5539   0.1193   7.5194   44.394   18.635   41.555   18.040 2.838943 25.93632 
1 1 1  -16    3   60 o  226.732   6.3176  141.328   7.7111  159.382   11.381  126.005   10.485  240.132   8.7707  213.333   9.0951 26.79950 12.63513 
1 1 1  -16    3   61 o   96.850   12.170   29.330   5.9764   17.248   8.5577   40.833   8.3499   73.830   20.645  119.870   12.891 -46.03960 24.33901 
1 1 1  -16    3   62 o  120.971   9.4983   41.449   6.1332   51.513   9.2281   33.487   8.2086  134.316   12.714  107.626   14.114 26.69086 18.99664 
1 1 1  -16    3   63 o   43.299   13.239   0.4431   5.8375   4.9036   8.4204  -3.6841   8.0999   48.924   20.023   37.674   17.326 11.25002 26.47852 
1 1 1  -16    3   64 o   34.237   11.516  -8.3482   5.8632 -11.1323   8.3414  -5.6294   8.2431   32.249   15.608   36.225   16.939 -3.975677 23.03279 
1 1 1  -16    3   65 o   33.546   11.377 -10.3440   6.0744 -16.6315   9.1651  -5.4183   8.1121   31.061   15.309   36.030   16.833 -4.968893 22.75323 
1 1 1  -16    3   66 o  163.337   8.0191   77.344   7.0246   91.514   10.591   66.213   9.3864  176.813   11.085  149.861   11.591 26.95276 16.03828 
1 1 1  -16    3   67 o   71.160   16.588   16.299   8.5272   33.874   13.007   3.0518   11.292   93.554   25.175   48.767   21.606 44.78669 33.17570 
1 1 1  -16    4    1 o  353.462   4.9910  337.778   9.5316  338.886   13.599  336.708   13.363  354.030   7.1087  352.895   7.0077 1.135620 9.982021 
1 1 1  -16    4    4 o  305.022   4.5701  250.955   7.5187  260.528   11.043  242.682   10.265  310.429   6.5833  299.615   6.3405 10.81387 9.140132 
1 1 1  -16    4    5 f  433.449   5.7720  508.018   13.516  512.261   19.347  503.972   18.891  435.214   8.2267  431.685   8.0984 3.528656 11.54394 
1 1 1  -16    4    6 o  473.032   6.1679  605.239   15.766  603.706   22.323  606.765   22.269  472.433   8.7443  473.630   8.7011 -1.197662 12.33580 
1 1 1  -16    4    7 o  279.643   6.1432  211.401   9.2829   0.0000   0.0000  211.401   9.2829  ?   ?   279.643   6.1432      ?      ? 
1 1 1  -16    4    8 o  122.397   8.3756   40.518   5.5395   0.0000   0.0000   40.518   5.5395  ?   ?   122.397   8.3756      ?      ? 
1 1 1  -16    4    9 o  1068.55   18.277  3114.86  105.535  3117.12  149.419  3112.61  149.079  1068.92   25.868  1068.17   25.828 0.7565918 36.55492 
1 1 1  -16    4   10 o  190.492   5.6777   97.973   5.8370  101.126   8.5164   95.180   8.0159  193.375   8.1502  187.609   7.9070 5.765945 11.35546 
1 1 1  -16    4   11 o  378.557   7.4557  386.443   15.221  366.892   20.747  409.234   22.401  368.229   10.427  388.885   10.660 -20.65527 14.91133 
1 1 1  -16    4   12 o  626.500   11.116  1061.51   37.562  1102.25   55.193  1026.35   51.265  637.634   16.019  615.366   15.417 22.26813 22.23243 
1 1 1  -16    4   13 o  643.082   11.370  1120.31   39.490  1096.85   54.772  1145.72   56.988  636.094   15.935  650.071   16.223 -13.97778 22.74018 
1 1 1  -16    4   14 o  579.750   8.9961  909.002   26.573  906.976   32.533  913.063   46.059  578.982   10.399  580.518   14.683 -1.535950 17.99225 
1 1 1  -16    4   15 o  268.345   4.4333  194.535   6.4258  198.595   9.2495  190.748   8.9337  271.048   6.3152  265.642   6.2237 5.406464 8.866542 
1 1 1  -16    4   16 o  535.371   6.8829  775.198   19.911  779.221   28.359  771.286   27.960  536.738   9.7779  534.004   9.6897 2.734619 13.76581 
1 1 1  -16    4   17 o  337.283   4.9967  307.385   9.1047  299.735   12.723  315.413   13.034  332.984   7.0711  341.582   7.0616 -8.597809 9.993340 
1 1 1  -16    4   18 f  606.707   7.6581  995.359   25.100  980.152   35.009  1011.44   36.005  601.945   10.763  611.469   10.897 -9.523926 15.31617 
1 1 1  -16    4   19 f  426.428   5.8243  491.638   13.421  492.104   19.043  491.178   18.916  426.629   8.2605  426.228   8.2130 0.4002380 11.64860 
1 1 1  -16    4   20 o  623.215   7.8582  1050.57   26.462  1055.22   37.650  1046.03   37.201  624.575   11.155  621.854   11.071 2.721130 15.71637 
1 1 1  -16    4   21 o  781.082   9.6006  1650.82   40.517  1664.50   57.807  1637.61   56.806  784.256   13.641  777.908   13.514 6.348389 19.20118 
1 1 1  -16    4   22 o  802.557   9.8471  1742.78   42.699  1756.34   60.933  1729.69   59.854  805.620   13.997  799.495   13.854 6.124146 19.69412 
1 1 1  -16    4   23 o  478.915   6.3843  620.083   16.522  620.124   23.380  620.044   23.352  478.931   9.0340  478.900   9.0237 0.3057861E-01 12.76867 
1 1 1  -16    4   24 o  367.991   5.4519  366.028   10.841  369.079   15.403  363.033   15.260  369.511   7.7144  366.472   7.7058 3.039276 10.90374 
1 1 1  -16    4   25 o  713.669   8.8790  1376.78   34.218  1347.44   47.353  1408.83   49.501  705.729   12.417  721.607   12.695 -15.87799 17.75801 
1 1 1  -16    4   26 o  427.080   6.0018  492.072   13.828  476.221   18.905  510.307   20.278  419.704   8.3356  434.455   8.6374 -14.75110 12.00363 
1 1 1  -16    4   27 o  451.203   6.2597  549.386   15.241  531.629   20.899  569.558   22.275  443.434   8.7219  458.971   8.9814 -15.53687 12.51950 
1 1 1  -16    4   28 o  1109.95   13.381  3339.46   80.257  3333.19  113.346  3345.77  113.657  1108.91   18.916  1110.99   18.932 -2.088379 26.76238 
1 1 1  -16    4   29 o  412.249   5.9380  459.419   13.226  455.237   18.518  463.773   18.896  410.336   8.3517  414.161   8.4433 -3.825989 11.87603 
1 1 1  -16    4   30 o  154.647   6.6514   64.732   5.5424   65.397   7.5781   63.968   8.1268  155.508   9.0182  153.786   9.7795 1.721771 13.30286 
1 1 1  -16    4   31 o  843.102   10.373  1925.20   47.253  1906.19   66.150  1945.02   67.522  838.863   14.593  847.342   14.747 -8.479065 20.74687 
1 1 1  -16    4   32 o  768.562   9.5978  1597.78   39.828  1638.37   57.746  1560.95   55.003  777.841   13.739  759.282   13.406 18.55847 19.19558 
1 1 1  -16    4   33 o  613.696   7.9447  1017.43   26.314  985.283   36.142  1053.70   38.387  603.411   11.084  623.982   11.385 -20.57178 15.88936 
1 1 1  -16    4   34 o  120.241   9.4725   38.742   6.1175   35.443   8.1240   43.062   9.2970  114.398   13.142  126.085   13.646 -11.68686 18.94502 
1 1 1  -16    4   35 o  429.336   6.3898  498.543   14.823  494.608   20.807  502.598   21.123  427.617   9.0044  431.054   9.0684 -3.437012 12.77950 
1 1 1  -16    4   36 o  321.545   5.9156  279.614   10.277  275.976   14.389  283.401   14.683  319.412   8.3368  323.678   8.3949 -4.265625 11.83117 
1 1 1  -16    4   37 o  572.641   7.5874  887.823   23.478  887.714   33.146  887.932   33.260  572.608   10.712  572.675   10.748 -0.6646729E-01 15.17475 
1 1 1  -16    4   38 o  164.296   7.3459   72.612   6.4480   58.536   8.7602   89.254   9.5253  147.011   11.027  181.581   9.7078 -34.56964 14.69172 
1 1 1  -16    4   39 f  329.328   5.8549  293.552   10.419  295.649   14.709  291.441   14.760  330.511   8.2360  328.145   8.3239 2.366547 11.70975 
1 1 1  -16    4   40 o   85.243   13.207   20.434   5.9029   22.717   8.7607   18.536   7.9885   89.633   18.693   80.853   18.663 8.779953 26.41465 
1 1 1  -16    4   41 o  379.772   12.210  391.441   25.057  391.441   25.057   0.0000   0.0000  379.772   12.210  ?   ?       ?      ? 
1 1 1  -16    4   43 o   66.840   16.537   8.9101   8.1695   18.761   11.466  -1.2457   11.642   81.681   24.233   51.998   22.510 29.68249 33.07495 
1 1 1  -16    4   44 o  202.273   6.2461  111.395   6.7981  104.484   9.8756  117.618   9.3721  196.245   9.3128  208.301   8.3264 -12.05606 12.49229 
1 1 1  -16    4   45 o   61.287   13.815   10.179   5.1514   10.561   7.4953   9.8368   7.0917   62.296   19.801   60.277   19.271 2.018604 27.63025 
1 1 1  -16    4   46 o  229.359   5.9148  142.126   7.3047  160.176   10.698  126.361   9.9982  242.967   8.1483  215.752   8.5759 27.21411 11.82964 
1 1 1  -16    4   47 o  198.761   6.2293  107.292   6.6897  106.430   9.3763  108.187   9.5475  197.953   8.7656  199.569   8.8533 -1.616318 12.45862 
1 1 1  -16    4   48 f  163.071   6.7283   72.353   5.9111   72.774   8.7138   71.994   8.0452  163.465   9.8650  162.677   9.1522 0.7882233 13.45660 
1 1 1  -16    4   49 o  123.420   8.1889   41.866   5.4353   38.484   7.8456   44.987   7.5371  118.514   12.251  128.325   10.869 -9.811493 16.37776 
1 1 1  -16    4   50 o   38.635   12.048  -1.7094   4.8920  -1.7150   7.2448  -1.7048   6.6323   39.553   17.426   37.718   16.642 1.835426 24.09592 
1 1 1  -16    4   51 o   94.392   11.067   25.878   5.3319   18.594   7.6907   32.619   7.3987   79.916   18.215  108.867   12.577 -28.95024 22.13471 
1 1 1  -16    4   52 o  123.003   8.3480   41.583   5.5358   45.682   7.9936   37.806   7.6739  128.880   11.478  117.126   12.125 11.75475 16.69598 
1 1 1  -16    4   53 o  143.843   7.3942   56.855   5.7420   58.624   8.0393   55.012   8.2041  146.190   10.177  141.496   10.730 4.693756 14.78849 
1 1 1  -16    4   54 o  141.228   7.6277   54.785   5.8078   60.241   8.4596   49.921   7.9875  147.908   10.584  134.547   10.986 13.36139 15.25546 
1 1 1  -16    4   55 o  107.481   9.5937   32.519   5.5241   28.318   7.9173   36.504   7.7113  100.385   14.595  114.576   12.455 -14.19024 19.18741 
1 1 1  -16    4   56 o  172.723   6.7622   82.127   6.2648   69.476   8.6732   95.928   9.0589  158.624   10.119  186.820   8.9736 -28.19586 13.52448 
1 1 1  -16    4   57 o  196.481   6.4223  106.248   6.8184  105.157   9.6021  107.358   9.6839  195.460   9.0912  197.502   9.0738 -2.041962 12.84457 
1 1 1  -16    4   58 o   94.502   11.471   26.051   5.7367   27.068   8.1564   25.054   8.0701   97.151   15.537   91.852   16.881 5.298500 22.94282 
1 1 1  -16    4   59 o   48.839   13.203   2.9634   5.5729   11.232   7.8560  -5.4122   7.9067   61.359   20.331   36.318   16.849 25.04125 26.40541 
1 1 1  -16    4   60 o  143.931   8.1465   58.011   6.3261   62.170   9.2400   54.342   8.6793  148.785   11.493  139.077   11.549 9.707703 16.29302 
1 1 1  -16    4   61 o  149.252   8.1925   64.139   6.4246   48.845   9.2598   78.335   8.9212  130.855   13.095  167.650   9.8477 -36.79459 16.38500 
1 1 1  -16    4   62 o   37.582   12.126  -4.0075   5.6134  -8.6885   8.3528  -0.1522   7.5804   34.347   16.355   40.816   17.907 -6.468540 24.25230 
1 1 1  -16    4   63 o  173.873   7.4387   85.462   6.9732   88.865   10.280   82.562   9.4903  176.887   10.755  170.859   10.279 6.028198 14.87731 
1 1 1  -16    4   64 o   29.736   10.431 -18.4623   6.3421 -23.5040   9.9745 -15.0407   8.2171   29.901   14.941   29.570   14.559 0.3304157 20.86151 
1 1 1  -16    4   65 o  129.359   10.138   50.163   6.9566   44.367   10.418   54.827   9.3455  121.226   15.903  137.493   12.579 -16.26679 20.27669 
1 1 1  -16    4   66 o   96.991   12.816   31.474   6.4922   26.650   9.4483   35.788   8.9360   86.941   20.453  107.041   15.449 -20.09976 25.63213 
1 1 1  -16    4   67 o   51.608   15.070  -2.5760   8.0516   20.901   12.572 -18.9009   10.484   71.215   25.616   32.002   15.880 39.21333 30.13918 
1 1 1  -16    5    1 o  347.582   6.9732  326.651   13.097   0.0000   0.0000  326.651   13.097  ?   ?   347.582   6.9732      ?      ? 
1 1 1  -16    5    2 o  561.375   7.1284  852.674   21.622  857.074   30.828  848.413   30.333  562.795   10.137  559.954   10.025 2.841492 14.25674 
1 1 1  -16    5    3 o  521.359   6.6944  735.330   18.858  738.308   26.865  732.438   26.478  522.395   9.5171  520.322   9.4173 2.073730 13.38884 
1 1 1  -16    5    4 o  287.844   6.2667  223.988   9.7474   0.0000   0.0000  223.988   9.7474  ?   ?   287.844   6.2667      ?      ? 
1 1 1  -16    5    5 o  392.654   5.3940  416.663   11.438  423.785   16.520  410.105   15.851  395.871   7.7228  389.437   7.5325 6.433624 10.78794 
1 1 1  -16    5    6 o  450.070   5.9737  547.661   14.523  554.784   20.877  540.982   20.216  452.900   8.5305  447.240   8.3648 5.659729 11.94736 
1 1 1  -16    5    7 o  249.212   5.9756  167.849   8.0400  170.766   11.658  165.203   11.103  251.271   8.5857  247.152   8.3137 4.118607 11.95124 
1 1 1  -16    5    8 o  612.293   10.872  1015.91   35.962  1000.45   50.201  1032.21   51.542  607.521   15.292  617.065   15.458 -9.544861 21.74367 
1 1 1  -16    5    9 o  110.715   6.5480   33.358   3.8876   31.194   5.7503   35.180   5.2760  107.378   9.9104  114.052   8.5609 -6.674454 13.09597 
1 1 1  -16    5   10 o  455.195   7.4060  560.208   17.124  561.937   29.853  559.361   20.904  455.604   12.126  454.786   8.5063 0.8185120 14.81204 
1 1 1  -16    5   11 o  745.527   11.300  1496.17   42.447  1536.04   75.572  1477.80   51.305  752.289   18.590  738.764   12.852 13.52478 22.60025 
1 1 1  -16    5   12 o  537.285   9.7681  781.437   28.349  765.991   39.425  797.973   40.792  531.800   13.719  542.770   13.908 -10.96997 19.53620 
1 1 1  -16    5   13 o  552.063   9.9900  824.250   29.771  798.198   40.975  853.378   43.327  542.854   13.968  561.272   14.286 -18.41821 19.97992 
1 1 1  -16    5   14 o  585.842   7.4231  928.467   23.497  934.175   33.500  922.940   32.966  587.610   10.551  584.073   10.445 3.536255 14.84620 
1 1 1  -16    5   15 o  493.406   6.4495  658.386   17.195  657.767   24.404  658.997   24.232  493.174   9.1573  493.638   9.0843 -0.4644470 12.89891 
1 1 1  -16    5   16 o  806.164   9.8683  1759.57   42.988  1753.52   60.670  1765.68   60.920  804.772   13.951  807.555   13.961 -2.783691 19.73665 
1 1 1  -16    5   17 f  454.270   6.0876  557.936   14.942  560.708   21.321  555.262   20.945  455.376   8.6646  453.164   8.5534 2.212372 12.17521 
1 1 1  -16    5   18 o  359.414   5.2338  349.059   10.163  340.572   14.204  357.960   14.546  354.940   7.4059  363.888   7.3976 -8.948517 10.46765 
1 1 1  -16    5   19 o  716.158   8.8800  1387.79   34.363  1391.76   48.828  1383.89   48.369  717.170   12.600  715.146   12.517 2.023743 17.75995 
1 1 1  -16    5   20 o  592.587   7.5419  949.219   24.141  931.432   33.595  968.211   34.715  586.854   10.594  598.320   10.737 -11.46606 15.08376 
1 1 1  -16    5   21 o  1311.17   15.689  4663.32  111.148  4628.38  156.032  4699.32  158.369  1306.20   22.106  1316.14   22.268 -9.933350 31.37752 
1 1 1  -16    5   22 o  384.056   5.5147  398.287   11.436  409.237   16.565  388.314   15.809  389.093   7.8784  379.020   7.7187 10.07330 11.02937 
1 1 1  -16    5   23 o  732.120   9.0717  1449.12   35.872  1420.60   49.819  1479.82   51.695  724.652   12.723  739.587   12.935 -14.93488 18.14335 
1 1 1  -16    5   24 o  338.170   5.2467  308.819   9.5811  301.240   13.257  317.107   13.863  333.832   7.3488  342.508   7.4903 -8.675812 10.49335 
1 1 1  -16    5   25 o  879.456   10.733  2093.80   51.004  2105.54   72.538  2082.31   71.732  881.890   15.222  877.022   15.136 4.868103 21.46617 
1 1 1  -16    5   26 o  991.130   12.013  2660.02   64.323  2695.93   92.243  2626.02   89.743  997.622   17.111  984.638   16.867 12.98438 24.02672 
1 1 1  -16    5   27 o  444.113   6.1886  533.003   14.847  523.251   20.681  543.374   21.327  439.925   8.6998  448.301   8.8040 -8.375854 12.37725 
1 1 1  -16    5   28 o  508.449   6.7897  697.022   18.616  668.474   25.357  730.401   27.418  497.197   9.4380  519.701   9.7633 -22.50455 13.57931 
1 1 1  -16    5   29 o  699.833   8.7773  1325.23   33.188  1336.68   47.420  1314.23   46.464  702.790   12.487  696.876   12.339 5.914429 17.55457 
1 1 1  -16    5   30 o  661.296   8.3890  1183.10   29.969  1166.30   41.797  1200.88   42.994  656.473   11.783  666.118   11.945 -9.645081 16.77800 
1 1 1  -16    5   31 o  747.736   9.3409  1513.55   37.738  1498.41   52.875  1529.27   53.877  743.932   13.153  751.541   13.267 -7.608398 18.68186 
1 1 1  -16    5   32 f  622.117   8.0345  1047.26   27.009  1039.41   38.030  1055.25   38.365  619.766   11.356  624.469   11.369 -4.703247 16.06895 
1 1 1  -16    5   33 o  158.165   7.3175   67.747   6.2476   69.399   8.7096   65.995   8.9670  160.160   10.064  156.170   10.626 3.989777 14.63507 
1 1 1  -16    5   34 o  695.968   8.8558  1309.60   33.269  1273.15   45.776  1350.41   48.434  685.738   12.354  706.198   12.692 -20.45923 17.71165 
1 1 1  -16    5   35 o   64.703   14.795   10.667   5.9455   7.9309   8.0013   14.039   8.8843   57.941   20.479   71.465   21.360 -13.52387 29.59090 
1 1 1  -16    5   36 o  223.256   6.1783  134.116   7.4319  124.987   10.058  145.094   11.029  214.937   8.6601  231.575   8.8140 -16.63866 12.35655 
1 1 1  -16    5   37 o  293.602   5.9060  233.266   9.3669  226.806   13.267  239.687   13.227  289.542   8.4793  297.662   8.2233 -8.120544 11.81194 
1 1 1  -16    5   38 o  462.336   6.6257  578.617   16.552  573.388   23.250  583.990   23.569  460.220   9.3493  464.452   9.3911 -4.231323 13.25144 
1 1 1  -16    5   39 o  511.800   7.0474  709.566   19.490  707.414   27.572  711.716   27.554  511.022   9.9850  512.578   9.9479 -1.556366 14.09473 
1 1 1  -16    5   40 o  430.239   7.8179  495.115   17.099  521.622   30.106  482.492   20.775  438.387   12.709  422.091   9.1086 16.29550 15.63588 
1 1 1  -16    5   42 o  487.954   13.966  648.198   36.824  648.198   36.824   0.0000   0.0000  487.954   13.966  ?   ?       ?      ? 
1 1 1  -16    5   43 o  296.558   7.0972  237.839   10.607  240.991   18.814  236.370   12.843  297.758   11.693  295.357   8.0471 2.401245 14.19440 
1 1 1  -16    5   44 o  189.925   6.4006   97.885   6.5652   93.902   9.2637  101.904   9.3056  186.028   9.2155  193.821   8.8850 -7.793472 12.80111 
1 1 1  -16    5   45 o  293.099   5.6337  232.848   8.9138  236.479   12.940  229.568   12.297  295.252   8.1105  290.947   7.8215 4.305298 11.26747 
1 1 1  -16    5   46 o   48.533   12.162   0.8148   5.2307 -11.7710   7.5704   12.312   7.2356   31.046   14.987   66.020   19.157 -34.97404 24.32330 
1 1 1  -16    5   47 o  248.362   5.7213  166.418   7.6487  179.165   11.449  156.143   10.279  256.875   8.2484  239.849   7.9308 17.02597 11.44263 
1 1 1  -16    5   48 o  170.381   6.5860   79.114   6.0552   76.986   8.7216   81.094   8.4135  168.127   9.6000  172.635   9.0190 -4.508469 13.17203 
1 1 1  -16    5   49 o  243.573   5.7485  161.300   7.5657  162.769   10.766  159.866   10.634  244.667   8.1434  242.480   8.1158 2.186615 11.49701 
1 1 1  -16    5   50 o  222.626   5.9606  134.949   7.1668  133.629   10.273  136.201   10.003  221.535   8.5814  223.718   8.2748 -2.182175 11.92112 
1 1 1  -16    5   51 f  269.701   5.7424  197.920   8.3519  201.658   12.254  194.677   11.413  272.017   8.3367  267.384   7.8994 4.632263 11.48482 
1 1 1  -16    5   52 o  198.619   6.1090  107.096   6.5383  117.622   9.6611   98.201   8.8812  207.580   8.6130  189.658   8.6659 17.92149 12.21806 
1 1 1  -16    5   53 o  105.814   9.7521   31.497   5.5049   27.366   8.0579   35.114   7.5383   98.938   15.072  112.689   12.379 -13.75098 19.50425 
1 1 1  -16    5   54 o  189.480   6.4587   98.737   6.5914   90.864   9.4061  106.334   9.2394  181.900   9.5695  197.060   8.6767 -15.15990 12.91746 
1 1 1  -16    5   55 o  111.011   9.2751   34.403   5.5637   34.165   7.8708   34.640   7.8657  110.615   13.168  111.408   13.066 -0.7930603 18.55017 
1 1 1  -16    5   56 o  119.073   8.7503   39.530   5.6035   40.311   8.3719   38.897   7.5421  119.962   12.915  118.184   11.810 1.778366 17.50054 
1 1 1  -16    5   57 o  180.113   6.5576   88.354   6.3422   99.325   9.6483   80.008   8.4159  189.791   9.4077  170.436   9.1380 19.35526 13.11519 
1 1 1  -16    5   58 o   69.269   13.935   14.734   5.4429   14.430   8.2535   14.968   7.2405   68.527   20.612   70.010   18.760 -1.482971 27.87037 
1 1 1  -16    5   59 o   91.797   11.608   24.520   5.5558   32.050   8.3534   18.547   7.4398  105.684   14.627   77.909   18.029 27.77509 23.21675 
1 1 1  -16    5   60 o  133.160   8.3655   49.883   6.0179   50.597   8.6268   49.207   8.3991  134.052   11.909  132.268   11.751 1.783691 16.73109 
1 1 1  -16    5   61 o  126.743   8.6869   45.703   5.9362   44.197   8.5869   47.082   8.2155  124.493   12.764  128.994   11.786 -4.500458 17.37383 
1 1 1  -16    5   62 o   88.283   12.578   24.092   5.7886   23.832   8.3531   24.332   8.0292   87.532   18.251   89.035   17.312 -1.503502 25.15594 
1 1 1  -16    5   63 o   47.002   13.658   2.6887   5.8395   9.2363   8.7151  -2.6460   7.8666   55.996   21.118   38.009   17.327 17.98629 27.31648 
1 1 1  -16    5   64 o  132.279   14.381   51.268   10.279   51.268   10.279   0.0000   0.0000  132.279   14.381  ?   ?       ?      ? 
1 1 1  -16    5   65 o  220.641   6.8861  138.846   8.1671  130.383   11.914  146.347   11.217  213.609   10.322  227.674   9.1177 -14.06581 13.77216 
1 1 1  -16    5   66 o  174.276   9.5629   89.275   8.4634   96.171   14.867   85.969   10.294  176.332   15.602  172.221   11.062 4.111206 19.12589 
1 1 1  -16    5   67 o   60.243   24.872   13.768   13.136   13.768   13.136   0.0000   0.0000   60.243   24.872  ?   ?       ?      ? 
1 1 1  -16    6    1 o  612.427   7.7064  1013.79   25.482  985.317   35.182  1045.21   36.959  603.403   10.790  621.451   11.006 -18.04858 15.41272 
1 1 1  -16    6    2 o  365.703   5.1878  361.587   10.250  362.721   14.659  360.503   14.337  366.262   7.4065  365.145   7.2662 1.116516 10.37564 
1 1 1  -16    6    3 o  267.048   6.1427  192.781   8.8641   0.0000   0.0000  192.781   8.8641  ?   ?   267.048   6.1427      ?      ? 
1 1 1  -16    6    4 o  792.955   11.895  1703.28   48.030  1698.87   58.768  1712.16   83.348  791.926   13.733  793.985   19.427 -2.058777 23.79055 
1 1 1  -16    6    5 o  652.516   11.501  1153.49   40.524  1126.35   56.097  1183.11   58.606  644.520   16.107  660.513   16.420 -15.99316 23.00102 
1 1 1  -16    6    6 o  605.223   10.770  992.692   35.219  998.874   50.225  986.712   49.400  607.067   15.311  603.380   15.151 3.687256 21.54014 
1 1 1  -16    6    7 o  469.734   8.7433  597.268   22.191  589.189   31.115  605.631   31.657  466.504   12.343  472.964   12.387 -6.460724 17.48667 
1 1 1  -16    6    8 o  601.054   10.724  979.040   34.831  980.856   49.455  977.252   49.063  601.601   15.213  600.506   15.120 1.094971 21.44865 
1 1 1  -16    6    9 o  893.418   10.862  2162.66   52.424  2189.28   75.154  2137.43   73.164  898.750   15.475  888.085   15.246 10.66534 21.72337 
1 1 1  -16    6   10 o  769.987   9.4665  1604.76   39.370  1632.09   56.720  1579.36   54.690  776.291   13.521  763.682   13.253 12.60950 18.93310 
1 1 1  -16    6   11 o  253.000   6.3801  172.670   8.7076  159.505   12.003  187.297   12.652  242.842   9.1469  263.157   8.8970 -20.31544 12.76017 
1 1 1  -16    6   12 o  556.634   10.087  838.896   30.328  851.126   43.647  827.477   42.173  560.541   14.410  552.727   14.120 7.813782 20.17451 
1 1 1  -16    6   13 o  614.502   9.4882  1022.29   29.746  1022.06   36.485  1022.75   51.371  614.614   10.986  614.391   15.473 0.2224121 18.97643 
1 1 1  -16    6   14 o  1080.57   13.022  3166.50   76.038  3155.51  107.241  3177.61  107.830  1078.69   18.398  1082.45   18.435 -3.763794 26.04496 
1 1 1  -16    6   15 o  326.480   4.9690  287.941   8.7588  292.622   12.691  283.684   12.104  329.009   7.1382  323.950   6.9145 5.058655 9.937983 
1 1 1  -16    6   16 o  624.632   7.8705  1054.23   26.543  1025.58   36.640  1085.86   38.505  615.722   11.013  633.541   11.247 -17.81909 15.74106 
1 1 1  -16    6   17 o  420.193   5.7848  477.371   13.134  476.694   18.689  478.031   18.460  419.897   8.2369  420.489   8.1245 -0.5921631 11.56951 
1 1 1  -16    6   18 o  768.749   9.4645  1599.44   39.316  1597.00   55.623  1601.87   55.579  768.162   13.400  769.336   13.369 -1.173584 18.92895 
1 1 1  -16    6   19 o  323.849   4.9892  283.448   8.7302  278.279   12.271  288.746   12.423  320.860   7.0776  326.839   7.0340 -5.979279 9.978469 
1 1 1  -16    6   20 o  228.075   4.5955  140.597   5.6635  139.635   8.0180  141.555   8.0008  227.296   6.5280  228.854   6.4698 -1.557678 9.190945 
1 1 1  -16    6   21 o  147.211   5.2542   57.753   4.1501   67.094   6.3113   50.638   5.5085  157.550   7.4134  136.873   7.4479 20.67737 10.50849 
1 1 1  -16    6   22 o  441.702   6.0543  527.437   14.450  524.185   20.436  530.688   20.436  440.339   8.5885  443.064   8.5356 -2.724731 12.10859 
1 1 1  -16    6   23 o  594.646   7.5948  955.864   24.397  939.287   33.994  973.469   35.033  589.336   10.675  599.957   10.806 -10.62067 15.18952 
1 1 1  -16    6   24 o  1013.16   12.250  2780.24   67.060  2754.44   93.990  2806.99   95.709  1008.38   17.249  1017.93   17.400 -9.550659 24.50076 
1 1 1  -16    6   25 o  1277.82   15.317  4427.44  105.719  4353.55  146.939  4506.73  152.218  1266.82   21.465  1288.82   21.857 -21.99854 30.63457 
1 1 1  -16    6   26 o  683.456   8.5786  1261.09   31.634  1218.76   43.315  1309.48   46.309  671.203   11.943  695.708   12.318 -24.50525 17.15720 
1 1 1  -16    6   27 o  397.875   5.8075  426.976   12.468  410.190   17.074  446.152   18.249  389.520   8.1117  406.230   8.3132 -16.71030 11.61504 
1 1 1  -16    6   28 o  804.248   9.9251  1751.11   43.133  1746.18   60.895  1756.08   61.105  803.112   14.032  805.385   14.041 -2.273071 19.85028 
1 1 1  -16    6   29 o  580.127   7.5353  910.319   23.618  919.580   33.761  901.442   33.053  583.012   10.716  577.242   10.596 5.769897 15.07068 
1 1 1  -16    6   30 o  420.103   6.1199  477.267   13.893  474.578   19.618  479.972   19.676  418.915   8.6666  421.290   8.6429 -2.374908 12.23971 
1 1 1  -16    6   31 o   89.232   11.726   22.437   5.4538   26.771   7.5204   17.630   7.9208   99.425   13.998   79.038   18.817 20.38641 23.45206 
1 1 1  -16    6   32 o  421.215   6.2355  479.853   14.192  474.878   20.058  484.840   20.083  419.027   8.8584  423.403   8.7780 -4.376404 12.47092 
1 1 1  -16    6   33 f  234.692   5.9931  148.933   7.5995  146.627   10.655  151.321   10.843  232.843   8.4681  236.540   8.4828 -3.697128 11.98612 
1 1 1  -16    6   34 o  576.200   7.6401  898.269   23.784  886.386   33.269  910.690   34.016  572.307   10.758  580.092   10.852 -7.784729 15.28022 
1 1 1  -16    6   35 o  565.712   7.5534  866.351   23.090  864.876   32.703  867.817   32.606  565.230   10.707  566.195   10.657 -0.9653320 15.10684 
1 1 1  -16    6   36 o  649.390   8.3589  1142.25   29.332  1139.59   41.418  1144.93   41.546  648.630   11.817  650.149   11.826 -1.518127 16.71789 
1 1 1  -16    6   37 o  367.274   6.0166  364.959   11.940  366.545   17.008  363.418   16.765  368.058   8.5518  366.490   8.4654 1.567627 12.03312 
1 1 1  -16    6   38 o  542.914   7.3148  797.983   21.451  780.257   29.815  817.004   30.885  536.677   10.281  549.151   10.408 -12.47406 14.62957 
1 1 1  -16    6   39 o  120.677   9.4544   39.459   6.1589   41.796   8.9338   37.342   8.5022  124.078   13.325  117.277   13.416 6.801384 18.90877 
1 1 1  -16    6   40 o  189.727   13.856   97.815   14.205   97.815   14.205   0.0000   0.0000  189.727   13.856  ?   ?       ?      ? 
1 1 1  -16    6   42 o  190.057   9.5689   97.278   9.6624  125.090   14.448   74.775   12.996  214.478   12.467  165.635   14.520 48.84309 19.13778 
1 1 1  -16    6   43 o  336.694   5.8657  305.770   10.632  324.099   15.886  290.897   14.310  345.762   8.5023  327.626   8.0830 18.13629 11.73135 
1 1 1  -16    6   44 o  354.695   5.8548  340.373   11.194  352.476   16.522  330.100   15.221  360.478   8.4818  348.913   8.0729 11.56503 11.70950 
1 1 1  -16    6   45 o  131.679   8.0728   47.413   5.7195   44.804   8.3350   49.736   7.8630  128.181   12.033  135.177   10.765 -6.995361 16.14562 
1 1 1  -16    6   46 o  314.600   5.8326  268.593   9.9141  270.091   14.150  267.149   13.895  315.452   8.3009  313.747   8.1959 1.704529 11.66521 
1 1 1  -16    6   47 o   49.971   13.542   4.8228   5.1291   3.9817   7.2272   5.6763   7.2803   48.347   18.967   51.594   19.333 -3.246754 27.08321 
1 1 1  -16    6   48 o  210.708   6.0863  120.642   6.9250  114.574   9.6320  127.134   9.9632  205.217   8.6859  216.200   8.5281 -10.98273 12.17270 
1 1 1  -16    6   49 o  256.793   5.7784  179.134   8.0042  182.823   11.719  175.909   10.958  259.227   8.3662  254.359   7.9728 4.868164 11.55676 
1 1 1  -16    6   50 o  242.426   5.8214  159.984   7.6250  156.538   10.745  163.480   10.822  239.783   8.2928  245.069   8.1723 -5.286179 11.64287 
1 1 1  -16    6   51 o   43.405   12.437  -0.2538   5.1882  -8.7418   7.6172   7.0919   7.0861   33.254   15.772   53.556   19.235 -20.30136 24.87466 
1 1 1  -16    6   52 o  283.939   5.7276  219.537   8.7776  226.583   12.794  213.271   12.065  288.199   8.2155  279.680   7.9830 8.518951 11.45527 
1 1 1  -16    6   53 o   77.531   12.987   18.059   5.4391   13.162   7.9135   22.444   7.4882   67.046   20.186   88.016   16.346 -20.96916 25.97478 
1 1 1  -16    6   54 o  149.201   7.1895   61.298   5.7750   61.257   8.5370   61.333   7.8414  149.032   10.601  149.369   9.7150 -0.3368530 14.37907 
1 1 1  -16    6   55 o  281.997   5.7621  217.705   8.7665  218.558   12.771  216.945   12.055  282.417   8.3684  281.577   7.9231 0.8400574 11.52413 
1 1 1  -16    6   56 o   68.878   13.112   14.078   5.3041   20.703   7.5570   7.6447   7.4465   83.463   17.323   54.292   19.688 29.17082 26.22414 
1 1 1  -16    6   57 o  197.144   6.3795  107.103   6.7945  104.399   9.6035  109.813   9.6142  194.605   9.1324  199.683   8.9101 -5.078018 12.75895 
1 1 1  -16    6   58 o  100.758   10.881   29.449   5.6808   36.832   8.2978   22.936   7.7936  113.993   13.471   87.523   17.092 26.47027 21.76245 
1 1 1  -16    6   59 o  124.029   8.9172   42.949   5.9346   48.858   9.0632   38.513   7.8519  131.326   12.772  116.732   12.448 14.59456 17.83440 
1 1 1  -16    6   60 o   72.215   13.957   16.273   5.5936   16.661   8.1715   15.931   7.6731   72.893   20.097   71.536   19.372 1.356842 27.91388 
1 1 1  -16    6   61 o   46.711   13.723   3.2860   5.7359   1.7424   8.3543   4.6625   7.8892   45.026   19.275   48.395   19.538 -3.368401 27.44506 
1 1 1  -16    6   62 o   74.055   14.350   17.742   5.9737   21.298   8.6406   14.485   8.2680   81.278   19.846   66.833   20.734 14.44498 28.70093 
1 1 1  -16    6   63 o  294.325   6.2607  240.664   9.9196  257.588   14.835  226.980   13.340  303.415   9.0484  285.236   8.6551 18.17957 12.52136 
1 1 1  -16    6   64 o  122.113   14.208   43.623   9.3750   0.0000   0.0000   43.623   9.3750  ?   ?   122.113   14.208      ?      ? 
1 1 1  -16    6   65 o   57.586   14.986   11.447   6.3671   7.2429   9.5648   14.792   8.5323   51.258   21.198   63.913   21.188 -12.65487 29.97155 
1 1 1  -16    6   66 o   42.199   20.214  -9.6081   13.168  -9.6081   13.168   0.0000   0.0000   42.199   20.214  ?   ?       ?      ? 
1 1 1  -16    6   67 o   34.451   17.221 -24.5270   13.299 -24.5270   13.299   0.0000   0.0000   34.451   17.221  ?   ?       ?      ? 
1 1 1  -16    7    1 o  202.773   5.1159  111.472   5.4964  112.752   7.1277  109.595   8.6329  204.228   6.4587  201.319   7.9357 2.908218 10.23183 
1 1 1  -16    7    2 f  644.148   11.376  1124.89   39.597  1122.52   56.030  1127.25   55.968  643.468   16.114  644.829   16.062 -1.361267 22.75205 
1 1 1  -16    7    3 o  146.447   6.0243   57.654   4.7395   61.081   7.1747   55.000   6.3129  150.280   8.8352  142.613   8.1918 7.666565 12.04852 
1 1 1  -16    7    4 o  345.516   7.0436  322.987   13.150  320.946   18.662  325.000   18.533  344.429   10.027  346.604   9.8950 -2.174469 14.08711 
1 1 1  -16    7    5 o  259.663   6.1792  182.334   8.6663  182.973   12.456  181.734   12.065  260.100   8.8625  259.226   8.6132 0.8745422 12.35846 
1 1 1  -16    7    6 o  455.835   7.4238  567.490   17.436  544.369   29.177  580.333   21.746  448.441   12.040  463.228   8.6877 -14.78705 14.84751 
1 1 1  -16    7    7 o  782.588   9.6175  1658.71   40.670  1659.51   57.652  1657.91   57.383  782.773   13.630  782.404   13.573 0.3695068 19.23500 
1 1 1  -16    7    8 o  236.037   4.4178  149.768   5.6133  159.950   8.3965  141.540   7.5480  243.248   6.3879  228.826   6.1043 14.42189 8.835606 
1 1 1  -16    7    9 o  682.270   8.5054  1259.98   31.357  1260.52   44.457  1259.45   44.234  682.412   12.056  682.128   12.001 0.2841187 17.01075 
1 1 1  -16    7   10 o  384.087   7.7262  398.718   16.018  408.108   23.309  390.315   22.048  388.358   11.107  379.816   10.743 8.541779 15.45235 
1 1 1  -16    7   11 o  680.880   12.027  1256.70   44.247  1261.26   62.953  1252.25   62.204  682.090   17.080  679.669   16.937 2.421326 24.05367 
1 1 1  -16    7   12 o  376.389   6.6152  377.060   12.565  366.636   15.154  400.000   22.480  368.256   7.6152  384.522   10.819 -16.26608 13.23039 
1 1 1  -16    7   13 o  480.332   6.3740  623.766   16.542  614.478   23.187  633.393   23.607  476.692   9.0016  483.972   9.0266 -7.279938 12.74791 
1 1 1  -16    7   14 o  365.393   5.3397  360.591   10.538  346.080   14.658  376.111   15.159  357.792   7.5816  372.994   7.5212 -15.20261 10.67935 
1 1 1  -16    7   15 o  1032.71   12.473  2890.47   69.599  2904.24   99.025  2877.03   97.842  1035.13   17.704  1030.29   17.574 4.836182 24.94542 
1 1 1  -16    7   16 o  364.118   5.3510  358.163   10.519  363.918   15.259  352.953   14.520  366.899   7.6964  361.336   7.4363 5.563171 10.70204 
1 1 1  -16    7   17 o  298.107   6.8031  240.209   10.959   0.0000   0.0000  240.209   10.959  ?   ?   298.107   6.8031      ?      ? 
1 1 1  -16    7   18 o  707.221   8.8118  1352.80   33.666  1367.85   48.285  1338.57   46.964  711.039   12.567  703.404   12.356 7.634827 17.62362 
1 1 1  -16    7   19 o  395.069   5.6240  421.385   11.999  406.032   16.617  438.108   17.343  387.561   7.9348  402.578   7.9722 -15.01645 11.24799 
1 1 1  -16    7   20 o  458.919   6.2212  569.326   15.424  571.225   22.064  567.510   21.571  459.665   8.8828  458.173   8.7126 1.491974 12.44240 
1 1 1  -16    7   21 o  278.932   4.9123  210.247   7.3996  211.525   10.667  209.061   10.273  279.748   7.0564  278.117   6.8360 1.630615 9.824628 
1 1 1  -16    7   22 o  138.984   5.5860   52.245   4.1926   51.245   5.9994   53.198   5.8614  137.683   8.0638  140.285   7.7322 -2.601776 11.17194 
1 1 1  -16    7   23 o  1162.03   13.975  3659.94   87.735  3619.03  122.720  3702.70  125.477  1155.41   19.656  1168.65   19.870 -13.23792 27.94916 
1 1 1  -16    7   24 o  203.995   5.0348  112.435   5.5476  107.876   7.7647  117.188   7.9288  199.772   7.1929  208.218   7.0470 -8.445633 10.06964 
1 1 1  -16    7   25 o  896.138   10.941  2173.76   52.973  2145.12   74.045  2203.79   75.816  890.102   15.395  902.174   15.552 -12.07196 21.88283 
1 1 1  -16    7   26 o  268.698   5.1031  195.168   7.4087  191.766   10.463  198.588   10.492  266.349   7.2698  271.047   7.1636 -4.698395 10.20619 
1 1 1  -16    7   27 o  755.445   9.3845  1544.33   38.304  1524.61   53.614  1564.89   54.743  750.525   13.220  760.365   13.323 -9.839844 18.76907 
1 1 1  -16    7   28 o  555.372   7.2855  834.323   21.864  828.149   30.812  840.583   31.028  553.303   10.306  557.442   10.301 -4.138733 14.57098 
1 1 1  -16    7   29 o  743.693   9.2940  1497.22   37.346  1480.11   52.368  1514.93   53.273  739.375   13.107  748.011   13.180 -8.636475 18.58792 
1 1 1  -16    7   30 o  866.762   10.666  2034.39   49.939  1999.89   69.581  2071.03   71.715  859.202   14.987  874.322   15.179 -15.11969 21.33106 
1 1 1  -16    7   31 o  466.514   6.6142  588.384   16.670  575.709   23.266  601.754   23.895  461.355   9.3327  471.673   9.3752 -10.31805 13.22847 
1 1 1  -16    7   32 o  734.867   9.2448  1462.49   36.711  1461.64   51.993  1463.33   51.841  734.651   13.097  735.083   13.051 -0.4317017 18.48956 
1 1 1  -16    7   33 o  486.440   6.8667  639.595   18.040  623.837   25.015  656.670   26.040  480.208   9.6401  492.673   9.7813 -12.46548 13.73334 
1 1 1  -16    7   34 o  219.377   6.4079  130.082   7.5928  125.986   10.551  134.482   10.935  215.798   9.0479  222.955   9.0764 -7.157318 12.81588 
1 1 1  -16    7   35 o  412.674   6.2962  460.155   14.024  473.385   20.424  448.353   19.291  418.269   9.0364  407.078   8.7699 11.19147 12.59234 
1 1 1  -16    7   36 o  436.806   6.4697  516.188   15.268  508.853   21.366  523.841   21.826  433.638   9.1184  439.974   9.1805 -6.335510 12.93931 
1 1 1  -16    7   37 o  263.798   6.0279  188.089   8.5848  199.743   12.374  177.273   11.920  271.671   8.4290  255.925   8.6195 15.74580 12.05588 
1 1 1  -16    7   38 o  708.354   8.9972  1361.51   34.439  1356.21   48.692  1366.81   48.715  706.970   12.746  709.739   12.702 -2.768433 17.99448 
1 1 1  -16    7   39 o  463.402   9.3563  583.022   23.424  586.937   33.507  579.279   32.760  464.905   13.338  461.899   13.125 3.005737 18.71268 
1 1 1  -16    7   41 o  351.744   12.281  336.261   23.342  336.261   23.342   0.0000   0.0000  351.744   12.281  ?   ?       ?      ? 
1 1 1  -16    7   42 o   84.187   12.918   23.211   6.6119   0.7342   10.798   36.696   8.3632   52.289   22.131  116.085   13.332 -63.79568 25.83699 
1 1 1  -16    7   43 o  201.879   6.5015  110.688   7.0852  105.915   10.079  115.350   9.9622  197.549   9.4418  206.208   8.9405 -8.659195 13.00303 
1 1 1  -16    7   44 o   68.285   13.866   13.205   5.3867   12.925   7.7281   13.470   7.5124   67.709   19.842   68.862   19.374 -1.152588 27.73193 
1 1 1  -16    7   45 o  223.284   5.8473  134.670   7.0376  144.549   10.406  126.342   9.5538  230.787   8.3443  215.781   8.1936 15.00635 11.69457 
1 1 1  -16    7   46 o  236.499   5.7694  151.580   7.3563  155.581   10.830  148.153   10.023  239.362   8.3733  233.637   7.9393 5.724426 11.53883 
1 1 1  -16    7   47 o  283.379   5.7098  218.186   8.7385  218.134   12.568  218.234   12.159  283.320   8.2091  283.438   7.9384 -0.1178589 11.41963 
1 1 1  -16    7   48 o  130.411   8.4410   46.521   5.9345   47.363   8.7276   45.796   8.0935  131.456   12.286  129.367   11.578 2.088669 16.88202 
1 1 1  -16    7   49 o  409.922   6.2747  457.082   13.884  470.726   20.211  444.891   19.105  415.659   8.9985  404.185   8.7473 11.47449 12.54944 
1 1 1  -16    7   50 o  158.336   7.2085   68.727   6.1442   66.910   9.0207   70.299   8.3917  156.284   10.682  160.389   9.6825 -4.105469 14.41695 
1 1 1  -16    7   51 o  278.330   5.7303  211.176   8.6130  211.675   12.407  210.713   11.966  278.604   8.2412  278.055   7.9642 0.5489502 11.46057 
1 1 1  -16    7   52 o  149.850   7.7271   63.706   6.0419   47.354   8.8532   77.961   8.2661  130.865   12.520  168.835   9.0604 -37.97002 15.45412 
1 1 1  -16    7   53 o  141.839   10.357   55.371   7.9380   0.0000   0.0000   55.371   7.9380  ?   ?   141.839   10.357      ?      ? 
1 1 1  -16    7   54 o   75.343   13.035   16.398   5.3554   23.114   8.1246   11.238   7.1214   88.595   17.591   62.092   19.239 26.50294 26.06908 
1 1 1  -16    7   55 o  297.050   5.7627  241.745   9.2479  234.829   12.957  248.929   13.204  292.698   8.1919  301.402   8.1071 -8.703827 11.52532 
1 1 1  -16    7   56 o   36.519   11.527  -4.5432   5.0768 -12.7979   7.5699   2.2044   6.8442   29.755   14.507   43.282   17.918 -13.52728 23.05445 
1 1 1  -16    7   57 o   92.185   11.478   24.542   5.5732   28.184   8.3844   21.660   7.4597   99.077   15.661   85.292   16.783 13.78558 22.95506 
1 1 1  -16    7   58 o   45.131   13.351   2.2301   5.5089   0.1341   8.0574   4.0699   7.5489   42.833   18.634   47.430   19.124 -4.597527 26.70178 
1 1 1  -16    7   59 o  145.707   8.3805   59.461   6.5528   69.792   9.6108   50.487   8.9576  157.753   11.274  133.660   12.402 24.09294 16.76093 
1 1 1  -16    7   60 o  280.211   6.0671  216.919   9.1768  222.926   13.352  211.541   12.634  283.786   8.7068  276.636   8.4516 7.149750 12.13419 
1 1 1  -16    7   61 o  104.016   11.446   32.117   6.1708   40.196   9.0429   25.077   8.4417  117.855   14.199   90.176   17.955 27.67878 22.89122 
1 1 1  -16    7   62 o  140.503   8.8086   56.490   6.6596   62.822   9.9743   51.396   8.9457  147.508   12.514  133.498   12.401 14.00934 17.61723 
1 1 1  -16    7   63 o   34.378   11.672 -11.4525   6.2089  -4.5303   9.4175 -16.7746   8.2577   40.014   18.502   28.743   14.233 11.27121 23.34328 
1 1 1  -16    7   64 o  182.071   7.6076   93.074   7.4163  112.524   11.112   77.450   9.9592  199.385   10.313  164.758   11.186 34.62761 15.21522 
1 1 1  -16    7   65 o   57.830   16.953   10.775   8.8146   16.511   12.898   5.7477   12.074   64.237   25.294   51.423   22.580 12.81419 33.90633 
1 1 1  -16    7   66 o  134.460   19.320   60.113   14.038   60.113   14.038   0.0000   0.0000  134.460   19.320  ?   ?       ?      ? 
1 1 1  -16    8    1 o  270.435   6.3410  196.746   9.2322  209.730   13.796  186.216   12.424  278.466   9.1684  262.404   8.7621 16.06177 12.68206 
1 1 1  -16    8    2 o  370.920   7.4334  371.794   14.883  381.531   21.646  363.063   20.498  375.513   10.667  366.327   10.355 9.186157 14.86676 
1 1 1  -16    8    3 o  523.207   8.3442  735.425   22.054  756.306   39.095  725.677   26.710  528.456   13.690  517.958   9.5433 10.49841 16.68842 
1 1 1  -16    8    4 o  430.636   5.9372  501.470   13.815  492.788   19.475  510.264   19.601  426.882   8.4426  434.390   8.3502 -7.507782 11.87448 
1 1 1  -16    8    5 o  790.531   9.7167  1692.23   41.503  1703.77   59.200  1681.08   58.201  793.171   13.812  787.892   13.670 5.279114 19.43339 
1 1 1  -16    8    6 o  507.617   6.6673  696.936   18.286  697.385   26.056  696.500   25.670  507.774   9.4963  507.460   9.3613 0.3144531 13.33468 
1 1 1  -16    8    7 o  153.857   6.6510   63.991   5.5296   0.0000   0.0000   63.991   5.5296  ?   ?   153.857   6.6510      ?      ? 
1 1 1  -16    8    8 o  651.506   8.1833  1148.56   28.809  1144.19   40.711  1152.94   40.774  650.264   11.586  652.747   11.560 -2.482849 16.36655 
1 1 1  -16    8    9 o  414.611   8.2055  464.569   18.361  476.126   26.754  454.279   25.245  419.468   11.803  409.753   11.402 9.715607 16.41090 
1 1 1  -16    8   10 f  1019.44   17.495  2824.34   96.318  2880.63  139.122  2772.52  133.483  1029.11   25.018  1009.77   24.463 19.34845 34.99044 
1 1 1  -16    8   11 o  174.898   5.7920   82.152   5.3291   80.355   6.7648   85.090   8.6516  172.409   7.2612  177.389   9.0257 -4.979889 11.58397 
1 1 1  -16    8   12 o  357.196   5.3004  344.731   10.223  349.515   14.796  340.363   14.140  359.562   7.6154  354.830   7.3744 4.732361 10.60081 
1 1 1  -16    8   13 f  202.126   4.6651  109.831   5.0679  115.981   7.6486  105.018   6.7664  207.139   6.8333  197.112   6.3527 10.02664 9.330108 
1 1 1  -16    8   14 o  702.807   8.7578  1336.37   33.257  1322.22   46.688  1350.95   47.386  699.033   12.360  706.581   12.411 -7.547913 17.51567 
1 1 1  -16    8   15 o  488.865   6.5230  645.468   17.211  660.886   25.068  631.720   23.672  494.374   9.3839  483.356   9.0632 11.01819 13.04600 
1 1 1  -16    8   16 o  1089.74   13.141  3218.08   77.377  3233.60  110.109  3202.94  108.759  1092.32   18.655  1087.16   18.513 5.165283 26.28195 
1 1 1  -16    8   17 o  535.761   6.9921  776.147   20.240  777.236   28.845  775.091   28.408  536.129   9.9568  535.394   9.8193 0.7344971 13.98414 
1 1 1  -16    8   18 o  594.776   7.6076  956.516   24.446  964.299   34.950  949.061   34.206  597.141   10.831  592.411   10.686 4.729431 15.21515 
1 1 1  -16    8   19 o  676.953   8.4912  1239.44   31.060  1227.92   43.693  1251.22   44.161  673.772   12.001  680.134   12.016 -6.362305 16.98249 
1 1 1  -16    8   20 o  173.218   5.1987   80.818   4.8568   85.870   7.1419   76.471   6.6243  178.236   7.4153  168.199   7.2883 10.03682 10.39745 
1 1 1  -16    8   21 o  208.925   4.9510  118.063   5.5857  114.176   7.9491  121.854   7.8507  205.524   7.1576  212.326   6.8425 -6.802277 9.902087 
1 1 1  -16    8   22 o  193.972   5.0655  101.981   5.2927   93.485   7.5325  110.266   7.4385  185.967   7.4958  201.978   6.8154 -16.01170 10.13100 
1 1 1  -16    8   23 o  290.842   5.1101  228.392   8.0233  234.267   11.657  223.102   11.060  294.391   7.3275  287.293   7.1245 7.097473 10.22010 
1 1 1  -16    8   24 o  430.837   6.0777  501.719   14.144  506.046   20.332  497.663   19.688  432.633   8.6971  429.041   8.4920 3.591736 12.15543 
1 1 1  -16    8   25 o  415.863   6.0393  467.518   13.569  470.769   19.393  464.400   18.993  417.277   8.6006  414.449   8.4808 2.828186 12.07866 
1 1 1  -16    8   26 o  480.530   6.5778  623.820   17.071  604.967   23.687  644.197   24.625  472.984   9.2678  488.076   9.3369 -15.09189 13.15561 
1 1 1  -16    8   27 o  234.533   5.4717  148.573   6.9280  139.787   9.6482  157.926   9.9543  227.380   7.8525  241.687   7.6220 -14.30754 10.94332 
1 1 1  -16    8   28 o  534.809   7.1291  773.463   20.594  782.923   29.616  764.606   28.657  537.968   10.188  531.651   9.9749 6.316589 14.25812 
1 1 1  -16    8   29 o  323.041   5.6366  281.952   9.8355  273.820   13.688  290.631   14.142  318.229   7.9602  327.852   7.9825 -9.622864 11.27317 
1 1 1  -16    8   30 o  498.722   6.8777  672.837   18.533  668.673   26.319  676.933   26.103  497.187   9.7961  500.257   9.6564 -3.069702 13.75536 
1 1 1  -16    8   31 o  430.805   6.3760  502.000   14.842  494.825   20.954  509.223   21.025  427.714   9.0663  433.897   8.9674 -6.183319 12.75195 
1 1 1  -16    8   32 o  466.866   6.7230  587.292   16.922  555.561   23.004  624.713   24.981  453.184   9.3937  480.547   9.6204 -27.36331 13.44593 
1 1 1  -16    8   33 o  410.839   6.2989  456.116   13.977  440.143   19.403  473.342   20.150  403.371   8.9018  418.306   8.9142 -14.93552 12.59787 
1 1 1  -16    8   34 o  352.771   6.0011  336.734   11.437  330.602   16.222  342.796   16.128  349.571   8.5879  355.970   8.3844 -6.399658 12.00214 
1 1 1  -16    8   35 o  343.579   5.9331  319.331   11.015  315.321   15.511  323.411   15.645  341.402   8.4077  345.756   8.3735 -4.353912 11.86614 
1 1 1  -16    8   36 o  139.976   8.5955   53.306   6.4771   56.528   8.9731   49.800   9.3592  144.433   11.497  135.518   12.781 8.914490 17.19093 
1 1 1  -16    8   37 o   60.987   14.104   9.1391   5.8338   2.1281   8.7002   14.867   7.8635   49.372   20.296   72.603   19.590 -23.23082 28.20864 
1 1 1  -16    8   38 o  448.794   8.0345  539.563   18.216  564.640   32.414  527.987   22.023  456.050   13.153  441.538   9.2303 14.51208 16.06893 
1 1 1  -16    8   39 o  202.578   13.510  111.509   14.789  111.509   14.789   0.0000   0.0000  202.578   13.510  ?   ?       ?      ? 
1 1 1  -16    8   41 o   34.519   12.084 -27.5406   8.4131 -31.8694   12.033 -23.4009   11.767   33.035   16.493   36.004   17.666 -2.969292 24.16790 
1 1 1  -16    8   42 o  203.611   6.4444  111.168   7.0035  120.418   10.952  104.769   9.1094  210.648   9.6217  196.574   8.5758 14.07384 12.88880 
1 1 1  -16    8   43 o  308.295   5.7503  257.230   9.5579  265.300   14.081  250.336   13.016  312.741   8.3321  303.849   7.9272 8.891632 11.50063 
1 1 1  -16    8   44 o  215.419   6.1317  125.932   7.1359  129.778   10.200  122.246   9.9866  218.643   8.6334  212.194   8.7096 6.448380 12.26341 
1 1 1  -16    8   45 o  266.097   5.7550  192.123   8.2730  193.891   11.854  190.444   11.552  267.280   8.2073  264.913   8.0696 2.366241 11.50998 
1 1 1  -16    8   46 o  286.952   5.8134  223.406   8.9928  227.437   13.231  219.945   12.260  289.309   8.4632  284.595   7.9722 4.713989 11.62679 
1 1 1  -16    8   47 o  245.885   5.8734  164.560   7.7827  161.976   11.383  166.829   10.665  244.008   8.6329  247.763   7.9660 -3.754578 11.74670 
1 1 1  -16    8   48 o  248.395   5.8555  167.349   7.8385  174.318   11.600  161.492   10.634  253.099   8.4815  243.691   8.0754 9.408249 11.71097 
1 1 1  -16    8   49 o  369.486   6.0166  371.516   11.999  378.453   17.453  365.299   16.523  372.698   8.6662  366.274   8.3485 6.424347 12.03330 
1 1 1  -16    8   50 o  225.914   5.9555  138.692   7.2552  146.918   10.689  131.666   9.8793  232.078   8.5238  219.750   8.3197 12.32748 11.91106 
1 1 1  -16    8   51 f  136.882   11.519   51.585   8.5203   51.585   8.5203   0.0000   0.0000  136.882   11.519  ?   ?       ?      ? 
1 1 1  -16    8   52 o  204.531   6.2745  114.387   6.8967  115.063   10.318  113.841   9.2722  204.947   9.3169  204.116   8.4066 0.8310852 12.54895 
1 1 1  -16    8   53 f   69.746   13.478   14.539   5.1987   13.799   7.9914   15.083   6.8451   68.175   20.231   71.317   17.815 -3.141472 26.95662 
1 1 1  -16    8   54 o   77.169   12.196   17.264   5.5836   30.266   8.0685   5.3144   7.7348  103.707   14.398   50.630   19.688 53.07724 24.39122 
1 1 1  -16    8   55 o  115.620   9.4939   37.167   5.8441   46.926   8.7186   29.206   7.8752  129.570   12.452  101.670   14.334 27.90053 18.98783 
1 1 1  -16    8   56 o  166.970   7.2990   77.765   6.5350   71.458   9.5861   83.241   8.9324  160.292   11.067  173.649   9.5194 -13.35715 14.59806 
1 1 1  -16    8   57 o  137.357   8.4082   54.441   6.0379   41.788   8.9145   65.166   8.2072  121.407   13.588  153.307   9.9070 -31.90064 16.81644 
1 1 1  -16    8   58 o   64.725   13.983   11.832   5.8247   20.151   8.5843   4.7341   7.9294   80.355   19.879   49.096   19.669 31.25948 27.96524 
1 1 1  -16    8   59 o  218.295   6.5140  131.661   7.6728  138.902   11.222  125.304   10.514  223.878   9.2763  212.711   9.1476 11.16724 13.02802 
1 1 1  -16    8   60 o   42.703   13.171   0.1201   5.7149   2.1176   8.5152  -1.5170   7.7090   45.888   19.547   39.518   17.658 6.370323 26.34182 
1 1 1  -16    8   61 o   83.445   13.666   22.042   6.0221   22.826   8.9456   21.391   8.1438   84.461   19.923   82.429   18.712 2.032570 27.33234 
1 1 1  -16    8   62 o   40.085   12.933  -4.0121   6.2805   1.5410   9.3906  -8.5063   8.4479   45.901   20.040   34.269   16.354 11.63194 25.86584 
1 1 1  -16    8   63 o  143.587   12.896   59.473   10.006   59.473   10.006   0.0000   0.0000  143.587   12.896  ?   ?       ?      ? 
1 1 1  -16    8   64 o   77.210   15.338   21.175   6.6333   21.538   10.030   20.892   8.8436   76.949   22.620   77.472   20.721 -0.5228882 30.67662 
1 1 1  -16    8   65 o  131.400   21.096   58.829   14.979   58.829   14.979   0.0000   0.0000  131.400   21.096  ?   ?       ?      ? 
1 1 1  -16    8   66 o   34.362   16.999 -18.0608   11.669   0.0000   0.0000 -18.0608   11.669  ?   ?    34.362   16.999      ?      ? 
1 1 1  -16    9    1 o  386.803   5.5667  404.449   11.632  406.949   16.675  402.080   16.234  387.965   7.9541  385.642   7.7902 2.322479 11.13346 
1 1 1  -16    9    2 o  460.448   6.2423  573.158   15.530  561.891   21.768  584.836   22.162  455.841   8.8372  465.056   8.8188 -9.214752 12.48465 
1 1 1  -16    9    3 o   90.564   7.0373   22.309   3.4105   21.185   5.1201   23.204   4.5726   88.495   10.707   92.632   9.1351 -4.136742 14.07453 
1 1 1  -16    9    4 o  727.398   9.0466  1432.08   35.558  1428.27   50.279  1435.88   50.295  726.430   12.809  728.365   12.779 -1.934875 18.09314 
1 1 1  -16    9    5 o  734.865   9.1234  1461.53   36.227  1449.44   50.937  1473.91   51.535  731.792   12.881  737.937   12.924 -6.145508 18.24689 
1 1 1  -16    9    6 o  305.423   5.0040  252.258   8.2537  249.278   11.837  255.077   11.514  303.664   7.2138  307.183   6.9368 -3.518555 10.00791 
1 1 1  -16    9    7 o  637.112   8.0850  1093.15   27.726  1153.19   41.457  1044.56   37.294  652.843   11.752  621.382   11.107 31.46094 16.16990 
1 1 1  -16    9    8 o  647.550   11.621  1135.93   40.661  1121.85   57.073  1150.45   57.943  643.476   16.414  651.623   16.456 -8.147034 23.24233 
1 1 1  -16    9    9 o  257.280   6.9834  178.760   9.6628  181.644   14.435  176.419   13.007  259.146   10.308  255.414   9.4243 3.731674 13.96677 
1 1 1  -16    9   10 o  722.632   11.075  1400.80   40.311  1377.50   48.655  1451.80   71.988  713.456   12.620  731.808   18.204 -18.35132 22.15100 
1 1 1  -16    9   11 o  826.491   10.151  1849.02   45.325  1865.84   64.836  1832.94   63.388  830.155   14.453  822.827   14.257 7.328247 20.30141 
1 1 1  -16    9   12 o  887.194   10.853  2130.45   52.009  2163.60   74.858  2099.51   72.311  893.845   15.498  880.544   15.197 13.30090 21.70618 
1 1 1  -16    9   13 o  1202.66   14.456  3922.78   93.943  3909.80  132.534  3935.88  133.178  1200.67   20.427  1204.66   20.459 -3.990967 28.91104 
1 1 1  -16    9   15 o  441.157   6.1062  526.194   14.554  523.314   20.722  528.999   20.446  439.963   8.7162  442.351   8.5539 -2.388397 12.21231 
1 1 1  -16    9   16 o  1192.87   14.333  3856.85   92.388  3870.98  131.303  3843.00  130.020  1195.02   20.333  1190.72   20.208 4.303467 28.66697 
1 1 1  -16    9   17 o  285.496   4.9815  220.382   7.6797  218.082   11.037  222.541   10.692  284.049   7.1908  286.943   6.8959 -2.893860 9.962987 
1 1 1  -16    9   18 o  468.246   6.3648  592.697   16.098  595.141   23.132  590.403   22.415  469.177   9.1241  467.314   8.8767 1.863129 12.72970 
1 1 1  -16    9   19 o  162.081   7.1951   71.009   6.3017   0.0000   0.0000   71.009   6.3017  ?   ?   162.081   7.1951      ?      ? 
1 1 1  -16    9   20 o  123.808   8.3296   41.440   5.5726   0.0000   0.0000   41.440   5.5726  ?   ?   123.808   8.3296      ?      ? 
1 1 1  -16    9   21 o  767.335   9.5110  1593.36   39.435  1594.87   55.997  1591.87   55.545  767.691   13.499  766.979   13.402 0.7126465 19.02195 
1 1 1  -16    9   22 o  921.888   11.247  2301.36   56.030  2295.01   79.183  2307.72   79.294  920.613   15.917  923.162   15.895 -2.548828 22.49495 
1 1 1  -16    9   23 o  995.062   12.085  2680.36   64.945  2627.60   90.085  2737.45   93.714  984.899   16.927  1005.22   17.253 -20.32556 24.16958 
1 1 1  -16    9   24 o  225.174   7.5258  137.066   9.1571   0.0000   0.0000  137.066   9.1571  ?   ?   225.174   7.5258      ?      ? 
1 1 1  -16    9   25 o  611.516   7.8667  1011.66   25.995  1006.15   36.732  1017.19   36.792  609.846   11.146  613.187   11.104 -3.341431 15.73333 
1 1 1  -16    9   26 o  589.529   7.6678  939.847   24.414  953.504   35.185  927.166   33.905  593.648   10.968  585.410   10.718 8.237976 15.33561 
1 1 1  -16    9   27 o  386.738   5.9523  404.475   12.437  402.949   17.720  405.957   17.461  386.016   8.4953  387.460   8.3396 -1.443878 11.90457 
1 1 1  -16    9   29 o  511.903   7.0473  708.894   19.490  708.063   27.827  709.694   27.306  511.603   10.066  512.204   9.8658 -0.6016541 14.09451 
1 1 1  -16    9   30 o  408.818   6.2574  451.781   13.819  436.306   19.298  468.066   19.796  401.635   8.8919  416.001   8.8066 -14.36591 12.51483 
1 1 1  -16    9   31 o  530.309   7.2783  759.115   20.827  727.618   28.541  794.993   30.461  518.578   10.185  542.040   10.400 -23.46149 14.55662 
1 1 1  -16    9   32 o  571.388   7.6340  883.586   23.569  871.576   33.169  895.835   33.498  567.464   10.817  575.311   10.775 -7.846741 15.26804 
1 1 1  -16    9   33 o  647.962   8.4092  1137.08   29.438  1145.46   42.107  1129.08   41.172  650.283   11.983  645.641   11.801 4.642273 16.81850 
1 1 1  -16    9   34 o  333.580   5.9514  301.008   10.727  296.327   15.095  305.782   15.246  330.960   8.4407  336.201   8.3922 -5.241089 11.90272 
1 1 1  -16    9   35 o  327.905   5.9503  290.824   10.536  294.156   15.221  287.759   14.599  329.700   8.5435  326.111   8.2845 3.589172 11.90061 
1 1 1  -16    9   36 o  275.994   6.0180  206.071   8.9619  191.061   12.510  221.894   12.844  265.663   8.7146  286.324   8.3017 -20.66077 12.03591 
1 1 1  -16    9   37 o  519.521   8.7148  735.542   23.201  721.847   39.502  742.755   28.667  515.463   14.182  523.579   10.132 -8.116638 17.42964 
1 1 1  -16    9   38 o  518.250   14.324  730.180   40.115  730.180   40.115   0.0000   0.0000  518.250   14.324  ?   ?       ?      ? 
1 1 1  -16    9   40 o  140.614   12.254   53.829   9.0289   73.423   13.428   37.658   12.198  164.070   15.145  117.159   19.268 46.91129 24.50786 
1 1 1  -16    9   41 o  254.689   7.3053  172.760   9.1502  184.257   17.161  168.193   10.816  260.249   12.203  249.130   8.0342 11.11896 14.61057 
1 1 1  -16    9   42 o  131.983   8.5867   47.914   6.0577   43.045   8.9457   52.038   8.2324  125.636   13.177  138.331   11.013 -12.69534 17.17344 
1 1 1  -16    9   43 o  186.552   6.6306   94.068   6.6664  103.409   9.8225   86.091   9.0771  195.100   9.3170  178.003   9.4369 17.09714 13.26129 
1 1 1  -16    9   44 o  159.063   7.4651   68.757   6.4118   71.807   9.2768   65.967   8.8720  162.434   10.569  155.692   10.546 6.742554 14.93025 
1 1 1  -16    9   45 o  189.012   6.5774   97.284   6.6950   95.463   9.8308   98.859   9.1429  187.305   9.7130  190.719   8.8716 -3.414246 13.15475 
1 1 1  -16    9   46 o  320.504   5.7944  279.187   10.028  279.511   14.459  278.886   13.921  320.648   8.3447  320.360   8.0415 0.2884827 11.58875 
1 1 1  -16    9   47 o  199.849   6.4153  108.282   6.9113  116.161   10.213  101.626   9.3873  206.512   9.1520  193.187   8.9924 13.32504 12.83054 
1 1 1  -16    9   48 o  131.751   8.3239   47.186   5.8780   50.646   9.0159   44.629   7.7521  135.831   12.284  127.671   11.237 8.159874 16.64783 
1 1 1  -16    9   49 o  248.752   5.8938  168.471   7.9081  171.363   11.575  165.940   10.830  250.697   8.5445  246.807   8.1202 3.890182 11.78755 
1 1 1  -16    9   50 o   60.913   14.179   10.019   5.4300   12.776   8.1233   7.7909   7.3007   66.580   20.534   55.246   19.558 11.33455 28.35783 
1 1 1  -16    9   51 o  273.507   5.7548  203.239   8.4671  213.259   12.701  195.223   11.360  279.456   8.4105  267.558   7.8571 11.89792 11.50960 
1 1 1  -16    9   52 o   44.802   13.114   1.7662   5.1876   4.3711   7.8779  -0.2281   6.8930   49.527   19.683   40.077   17.335 9.450184 26.22871 
1 1 1  -16    9   53 o  214.580   6.1237  125.324   7.0643  134.445   10.662  118.186   9.4319  221.404   8.9115  207.757   8.4015 13.64714 12.24743 
1 1 1  -16    9   54 o  170.122   6.9526   79.546   6.3689   83.189   9.4881   76.559   8.5924  173.551   10.117  166.692   9.5392 6.858231 13.90527 
1 1 1  -16    9   55 o  139.752   8.1129   54.257   6.0749   55.082   9.2340   53.627   8.0662  140.434   12.168  139.070   10.734 1.363358 16.22587 
1 1 1  -16    9   56 o  111.735   10.053   35.245   5.9315   46.089   8.7849   26.160   8.0412  127.993   12.702   95.476   15.586 32.51669 20.10609 
1 1 1  -16    9   57 o  119.049   9.4578   40.343   6.0491   38.826   8.9348   41.627   8.2193  116.624   14.178  121.474   12.522 -4.850395 18.91568 
1 1 1  -16    9   58 o   55.806   12.653   6.5714   5.6445  -6.9541   8.4339   17.545   7.5966   36.260   17.012   75.352   18.736 -39.09166 25.30687 
1 1 1  -16    9   59 o  130.074   9.0777   48.051   6.3389   48.815   9.5463   47.448   8.4777  130.639   13.523  129.508   12.114 1.131302 18.15547 
1 1 1  -16    9   60 o  200.133   7.0975  112.279   7.6472  108.929   11.199  115.206   10.468  196.993   10.520  203.273   9.5299 -6.280685 14.19495 
1 1 1  -16    9   61 o   80.107   14.210   21.441   6.2270   17.001   9.2731   25.088   8.4036   71.036   21.945   89.177   18.058 -18.14158 28.41957 
1 1 1  -16    9   62 o   38.711   12.655  -5.7916   6.2178   0.2361   9.5293 -10.2605   8.2051   44.930   19.880   32.492   15.665 12.43789 25.31007 
1 1 1  -16    9   63 o   77.738   15.545   20.360   6.7936   21.646   10.159   19.320   9.1374   79.557   22.581   75.918   21.370 3.639542 31.08927 
1 1 1  -16    9   64 o  123.535   22.155   55.248   14.246   55.248   14.246   0.0000   0.0000  123.535   22.155  ?   ?       ?      ? 
1 1 1  -16    9   65 o   52.913   16.414   5.4897   8.9884   4.4437   13.533   6.3153   12.023   52.731   23.492   53.094   22.930 -0.3630981 32.82780 
1 1 1  -16   10    1 o  519.316   6.8731  729.356   19.287  724.258   27.270  734.458   27.281  517.498   9.7520  521.133   9.6879 -3.634949 13.74621 
1 1 1  -16   10    3 o  833.253   10.252  1879.76   46.160  1865.65   64.899  1894.20   65.667  830.094   14.468  836.413   14.529 -6.318542 20.50441 
1 1 1  -16   10    5 o  596.446   7.6537  961.637   24.652  979.988   35.621  944.768   34.153  601.895   10.952  590.997   10.694 10.89832 15.30748 
1 1 1  -16   10    6 o  535.662   8.7185  768.542   23.344  797.072   42.288  756.037   27.997  542.592   14.423  528.733   9.7991 13.85883 17.43700 
1 1 1  -16   10    7 o  536.097   10.030  778.061   29.055  772.072   41.161  784.009   41.018  534.035   14.264  538.159   14.105 -4.124268 20.05997 
1 1 1  -16   10    8 o  167.298   7.7132   75.080   6.9156   80.405   10.612   71.149   9.1178  172.403   11.391  162.192   10.403 10.21078 15.42639 
1 1 1  -16   10    9 o  518.508   6.8825  726.338   19.274  704.908   26.746  749.489   27.799  510.561   9.6943  526.455   9.7721 -15.89374 13.76493 
1 1 1  -16   10   10 o  309.059   5.1175  258.259   8.5403  256.332   12.289  260.060   11.878  307.940   7.3850  310.177   7.0865 -2.237061 10.23504 
1 1 1  -16   10   11 o  132.363   6.1024   48.060   4.2997   40.142   6.2469   55.187   5.9272  121.844   9.4880  142.883   7.6768 -21.03896 12.20472 
1 1 1  -16   10   12 o  986.035   11.970  2632.66   63.771  2603.31   89.313  2663.17   91.084  980.440   16.858  991.629   16.998 -11.18903 23.94031 
1 1 1  -16   10   13 o  865.197   10.611  2026.06   49.610  2014.29   69.873  2038.02   70.449  862.666   14.989  867.729   15.025 -5.063232 21.22298 
1 1 1  -16   10   14 o  723.764   9.0639  1417.08   35.447  1420.65   50.441  1413.59   49.823  724.661   12.881  722.867   12.755 1.794495 18.12786 
1 1 1  -16   10   15 o  165.378   5.5422   73.964   4.9291   73.577   7.3281   74.284   6.6612  164.978   8.2201  165.777   7.4360 -0.7988586 11.08446 
1 1 1  -16   10   16 o  701.081   12.421  1329.64   47.055   0.0000   0.0000  1329.64   47.055  ?   ?   701.081   12.421      ?      ? 
1 1 1  -16   10   17 o   64.398   11.088   12.203   3.8528   8.3024   6.1176   14.767   4.9601   56.027   17.897   72.770   13.096 -16.74301 22.17651 
1 1 1  -16   10   18 o  586.903   7.5898  931.607   24.070  928.505   34.126  934.678   33.955  585.928   10.778  587.878   10.689 -1.949463 15.17965 
1 1 1  -16   10   19 o  684.407   8.6239  1266.95   31.890  1249.34   44.691  1285.22   45.519  679.564   12.170  689.250   12.222 -9.685486 17.24771 
1 1 1  -16   10   20 o  243.616   7.1451  160.422   9.4059   0.0000   0.0000  160.422   9.4059  ?   ?   243.616   7.1451      ?      ? 
1 1 1  -16   10   21 o  328.507   5.3996  291.744   9.5755  291.279   13.847  292.171   13.256  328.252   7.8066  328.762   7.4618 -0.5098877 10.79911 
1 1 1  -16   10   23 o  405.984   6.0192  445.453   13.194  450.194   19.091  441.119   18.256  408.045   8.6584  403.922   8.3640 4.123322 12.03844 
1 1 1  -16   10   24 o  918.657   11.250  2284.06   55.802  2227.99   77.106  2345.72   80.860  906.859   15.735  930.455   16.082 -23.59607 22.49957 
1 1 1  -16   10   25 o  464.992   6.5616  584.294   16.480  564.525   22.933  605.403   23.698  456.866   9.2894  473.119   9.2696 -16.25299 13.12319 
1 1 1  -16   10   26 o  199.618   6.1642  107.766   6.6432  101.830   9.3343  113.858   9.4568  194.044   8.9021  205.192   8.5290 -11.14821 12.32844 
1 1 1  -16   10   27 o  514.871   7.1203  715.161   19.769  745.878   29.114  688.884   26.928  525.089   10.261  504.652   9.8746 20.43704 14.24054 
1 1 1  -16   10   28 o  328.986   5.9057  292.118   10.482  302.367   15.349  283.160   14.350  334.378   8.4947  323.594   8.2065 10.78455 11.81131 
1 1 1  -16   10   29 o  602.557   7.9192  982.613   25.781  985.261   36.801  980.061   36.128  603.346   11.288  601.768   11.110 1.577820 15.83836 
1 1 1  -16   10   30 o  1435.15   17.263  5607.14  133.814  5506.76  185.898  5715.08  192.773  1421.93   24.194  1448.36   24.631 -26.43506 34.52589 
1 1 1  -16   10   31 o  429.322   6.5023  498.698   15.078  497.021   21.632  500.282   21.027  428.612   9.3400  430.033   9.0489 -1.421661 13.00458 
1 1 1  -16   10   32 o  496.570   6.9987  667.199   18.777  654.113   26.294  680.817   26.823  491.603   9.8983  501.537   9.8971 -9.934509 13.99748 
1 1 1  -16   10   33 o  420.323   6.4171  478.043   14.574  470.436   20.557  485.730   20.665  416.957   9.1238  423.688   9.0263 -6.730194 12.83421 
1 1 1  -16   10   34 o  569.335   7.6169  877.875   23.432  864.271   32.960  891.774   33.318  564.873   10.798  573.798   10.746 -8.924438 15.23380 
1 1 1  -16   10   35 o  205.189   6.6906  114.311   7.3982  108.496   10.682  119.672   10.256  200.140   9.8769  210.238   9.0281 -10.09889 13.38127 
1 1 1  -16   10   36 o  128.508   12.936   51.665   7.4745   32.815   13.134   60.693   9.0899  107.396   23.302  149.620   11.243 -42.22445 25.87288 
1 1 1  -16   10   37 o  288.936   12.259  226.577   19.139  226.577   19.139   0.0000   0.0000  288.936   12.259  ?   ?       ?      ? 
1 1 1  -16   10   39 f   58.606   16.264  -0.8553   8.5521   14.887   12.934 -13.0833   11.399   76.144   26.092   41.069   19.425 35.07442 32.52887 
1 1 1  -16   10   40 o  304.240   7.2897  251.103   11.054  251.802   19.956  250.793   13.278  304.262   12.138  304.217   8.0770 0.4421997E-01 14.57938 
1 1 1  -16   10   41 o  130.623   8.7122   46.806   6.1004   42.808   8.9552   50.268   8.3330  125.302   13.226  135.944   11.344 -10.64249 17.42430 
1 1 1  -16   10   42 o  287.672   5.9390  224.590   9.2172  224.237   13.415  224.906   12.685  287.422   8.6377  287.923   8.1535 -0.5008545 11.87807 
1 1 1  -16   10   43 o   72.908   13.919   14.897   5.6422   18.762   8.4613   11.803   7.5713   80.770   19.588   65.047   19.781 15.72338 27.83869 
1 1 1  -16   10   44 o   74.243   13.812   15.844   5.6139   16.264   8.0631   15.450   7.8209   75.167   19.636   73.318   19.429 1.848778 27.62303 
1 1 1  -16   10   45 o  225.094   6.0694  136.400   7.3330  149.361   11.186  126.634   9.7104  234.335   8.8340  215.852   8.3252 18.48343 12.13872 
1 1 1  -16   10   46 o  461.423   6.7107  579.859   16.717  587.502   24.228  572.915   23.096  464.254   9.6577  458.593   9.3200 5.660919 13.42134 
1 1 1  -16   10   47 o  180.674   6.7456   89.486   6.5414   84.152   9.6490   94.021   8.8983  175.552   10.172  185.796   8.8630 -10.24408 13.49124 
1 1 1  -16   10   48 o  348.398   5.9220  330.573   11.138  333.116   16.146  328.266   15.383  349.616   8.5464  347.180   8.1999 2.435883 11.84398 
1 1 1  -16   10   49 o  166.702   6.9016   75.792   6.1892   78.727   9.2679   73.429   8.3151  169.525   10.117  163.878   9.3898 5.647354 13.80316 
1 1 1  -16   10   50 o  129.235   8.4603   45.649   5.8650   49.474   8.9700   42.793   7.7514  133.821   12.405  124.649   11.508 9.172447 16.92068 
1 1 1  -16   10   51 o   50.862   13.540   4.0685   5.2823   10.741   8.2988  -0.4760   6.8489   62.062   20.902   39.661   17.217 22.40053 27.08000 
1 1 1  -16   10   52 o  152.012   7.5292   62.994   6.1425   70.412   9.3803   57.424   8.1274  159.688   10.871  144.337   10.420 15.35197 15.05842 
1 1 1  -16   10   53 o   53.652   14.321   6.7717   5.6361   6.8443   8.5746   6.7165   7.4787   54.611   20.862   52.693   19.624 1.917690 28.64107 
1 1 1  -16   10   54 o  253.947   6.0849  177.043   8.3251  178.126   12.270  176.118   11.333  254.512   8.9216  253.382   8.2771 1.129944 12.16982 
1 1 1  -16   10   55 f  180.665   6.9596   90.251   6.7688   90.587   10.020   89.969   9.1800  180.795   10.257  180.535   9.4101 0.2595062 13.91930 
1 1 1  -16   10   56 o  255.521   6.1722  179.089   8.4940  191.683   12.658  168.773   11.456  263.554   8.8882  247.487   8.5664 16.06709 12.34439 
1 1 1  -16   10   57 o   62.526   14.800   11.743   5.8352   12.061   8.9990   11.513   7.6651   63.358   21.762   61.694   20.065 1.664402 29.60018 
1 1 1  -16   10   58 o  232.901   6.4856  148.972   8.1252  164.826   12.214  136.386   10.883  243.860   9.2688  221.943   9.0741 21.91730 12.97115 
1 1 1  -16   10   59 o   51.412   14.387   5.8228   5.9218   7.9147   8.8530   4.1289   7.9664   55.113   21.163   47.710   19.495 7.402802 28.77409 
1 1 1  -16   10   60 o  143.336   9.0233   58.948   6.9645   58.866   10.270   59.018   9.4761  142.882   13.302  143.789   12.196 -0.9070435 18.04667 
1 1 1  -16   10   61 o  130.945   9.7677   51.228   6.7408   41.921   9.9487   59.128   9.1653  118.350   15.556  143.540   11.816 -25.19044 19.53535 
1 1 1  -16   10   62 f  331.203   8.9417  306.014   16.003   0.0000   0.0000  306.014   16.003  ?   ?   331.203   8.9417      ?      ? 
1 1 1  -16   10   63 o   78.724   26.808   25.225   13.653   25.225   13.653   0.0000   0.0000   78.724   26.808  ?   ?       ?      ? 
1 1 1  -16   10   64 o  247.387   15.319  188.153   20.478  188.153   20.478   0.0000   0.0000  247.387   15.319  ?   ?       ?      ? 
1 1 1  -16   10   65 o   72.852   18.118   23.137   9.3799   15.642   14.153   29.009   12.526   62.332   25.782   83.373   25.463 -21.04112 36.23652 
1 1 1  -16   11    2 o  537.162   7.0939  780.299   20.591  777.255   29.166  783.323   29.074  536.116   10.068  538.208   9.9968 -2.091919 14.18780 
1 1 1  -16   11    3 o  287.224   5.1813  222.528   8.0275  230.586   11.780  215.542   10.969  292.066   7.4640  282.383   7.1883 9.682648 10.36259 
1 1 1  -16   11    4 o  689.244   10.682  1288.07   37.455  1280.18   64.946  1292.00   45.848  687.428   17.484  691.060   12.278 -3.632568 21.36425 
1 1 1  -16   11    5 o  777.957   13.718  1640.32   57.661  1651.35   82.375  1629.73   80.740  780.503   19.531  775.410   19.269 5.092529 27.43682 
1 1 1  -16   11    6 f  134.743   10.089   51.200   7.0028   40.878   11.038   58.153   9.0593  122.859   16.626  146.627   11.434 -23.76881 20.17854 
1 1 1  -16   11    7 o  365.727   6.8495  361.442   12.833  360.954   15.802  362.387   21.992  365.410   8.0026  366.043   11.119 -0.6334839 13.69905 
1 1 1  -16   11    8 o  483.383   9.3969  631.765   24.545  631.765   24.545   0.0000   0.0000  483.383   9.3969  ?   ?       ?      ? 
1 1 1  -16   11    9 o  910.339   11.138  2243.50   54.790  2242.39   77.671  2244.60   77.300  910.110   15.794  910.568   15.710 -0.4579468 22.27645 
1 1 1  -16   11   10 o  725.278   9.0812  1422.94   35.586  1430.75   50.799  1415.42   49.866  727.226   12.927  723.330   12.758 3.895569 18.16238 
1 1 1  -16   11   11 o  254.955   5.1706  175.048   7.0926  182.342   10.620  169.175   9.5294  259.728   7.5667  250.182   7.0489 9.546204 10.34129 
1 1 1  -16   11   12 o  615.535   7.9158  1024.65   26.329  1014.55   37.138  1034.86   37.331  612.483   11.221  618.586   11.168 -6.102783 15.83166 
1 1 1  -16   11   13 o  1092.28   13.211  3231.95   77.962  3260.55  111.415  3204.52  109.129  1096.99   18.795  1087.56   18.569 9.428711 26.42142 
1 1 1  -16   11   14 o  232.416   5.1717  144.923   6.4537  155.291   9.8112  137.016   8.5684  239.684   7.5752  225.147   7.0428 14.53738 10.34331 
1 1 1  -16   11   15 o  499.446   6.7532  674.429   18.222  677.235   26.068  671.747   25.481  500.458   9.6396  498.434   9.4606 2.024323 13.50646 
1 1 1  -16   11   16 o  514.505   6.8980  715.791   19.175  716.836   27.369  714.784   26.873  514.870   9.8371  514.140   9.6726 0.7303467 13.79595 
1 1 1  -16   11   17 o  867.541   10.664  2035.01   49.950  1979.94   68.920  2095.95   72.496  855.212   14.914  879.871   15.248 -24.65900 21.32869 
1 1 1  -16   11   19 o  729.643   9.1353  1440.38   36.016  1425.33   50.600  1455.83   51.276  725.784   12.902  733.503   12.937 -7.719971 18.27064 
1 1 1  -16   11   20 o  617.213   7.9653  1028.38   26.515  1062.64   38.952  998.803   36.195  626.756   11.501  607.670   11.023 19.08606 15.93053 
1 1 1  -16   11   21 o  524.446   7.0627  743.797   20.014  731.964   28.186  755.830   28.424  520.237   10.026  528.655   9.9499 -8.417297 14.12544 
1 1 1  -16   11   22 o  272.932   5.5660  201.647   8.1948  196.433   11.851  206.424   11.343  269.541   8.1369  276.323   7.5970 -6.782440 11.13208 
1 1 1  -16   11   23 o  295.659   7.7887  236.346   12.444   0.0000   0.0000  236.346   12.444  ?   ?   295.659   7.7887      ?      ? 
1 1 1  -16   11   24 o  379.412   6.0027  389.428   12.297  385.094   17.684  393.487   17.112  377.359   8.6724  381.464   8.3018 -4.104889 12.00539 
1 1 1  -16   11   25 o  461.429   6.5917  575.716   16.434  564.615   23.039  587.213   23.448  456.901   9.3316  465.956   9.3125 -9.054382 13.18334 
1 1 1  -16   11   26 o  461.175   6.6745  575.302   16.630  571.961   23.683  578.553   23.358  459.849   9.5310  462.501   9.3463 -2.652130 13.34891 
1 1 1  -16   11   27 o  512.008   7.1349  709.124   19.733  713.973   28.324  704.550   27.508  513.701   10.204  510.315   9.9755 3.385437 14.26972 
1 1 1  -16   11   28 o  182.622   7.4731   90.294   7.3706   87.453   10.471   93.085   10.377  179.768   10.779  185.477   10.354 -5.709564 14.94613 
1 1 1  -16   11   29 o  254.498   6.2726  175.186   8.6240  175.294   12.339  175.083   12.058  254.572   8.9696  254.424   8.7708 0.1473694 12.54517 
1 1 1  -16   11   30 o  427.332   6.4754  493.943   14.938  496.853   21.631  491.289   20.655  428.523   9.3417  426.141   8.9697 2.382507 12.95072 
1 1 1  -16   11   31 o  119.822   10.101   38.367   6.4618   47.898   9.7486   30.897   8.6300  132.924   13.572  106.720   14.965 26.20396 20.20280 
1 1 1  -16   11   32 o  530.408   7.3214  761.464   20.974  766.660   30.176  756.608   29.174  532.144   10.494  528.672   10.212 3.471497 14.64283 
1 1 1  -16   11   33 o  182.817   7.3789   90.996   7.2443   85.171   10.640   96.030   9.8910  177.304   11.105  188.329   9.7193 -11.02502 14.75782 
1 1 1  -16   11   34 o  243.250   6.2822  160.356   8.2412  157.417   11.976  163.001   11.359  241.113   9.1916  245.387   8.5661 -4.274292 12.56436 
1 1 1  -16   11   35 o  613.274   9.8897  1024.66   30.944  1012.39   53.247  1030.92   38.023  609.944   16.155  616.604   11.412 -6.659485 19.77947 
1 1 1  -16   11   36 o  152.634   17.971   63.559   14.822   63.559   14.822   0.0000   0.0000  152.634   17.971  ?   ?       ?      ? 
1 1 1  -16   11   38 o  184.518   10.547   94.937   10.246   72.748   14.813  115.293   14.188  163.149   16.802  205.888   12.752 -42.73888 21.09368 
1 1 1  -16   11   39 o   50.968   15.051   1.7306   6.8385  -3.2590   11.727   4.3017   8.4180   50.065   22.108   51.870   20.431 -1.805195 30.10294 
1 1 1  -16   11   40 o  109.312   10.501   31.755   6.1164   38.988   9.6389   26.879   7.9139  119.439   14.935   99.185   14.766 20.25372 21.00157 
1 1 1  -16   11   41 o  523.771   7.2292  746.066   20.456  740.962   29.164  751.010   28.702  521.969   10.340  525.573   10.106 -3.603943 14.45834 
1 1 1  -16   11   42 o  230.661   6.2563  144.526   7.7875  143.364   11.284  145.583   10.761  229.744   9.0890  231.579   8.5996 -1.835037 12.51251 
1 1 1  -16   11   43 o  147.202   7.9262   58.618   6.2788   64.243   9.4140   54.111   8.4268  153.499   11.350  140.906   11.067 12.59245 15.85246 
1 1 1  -16   11   44 o  128.810   9.1416   47.119   6.1259   36.374   9.2526   55.505   8.1740  114.963   14.894  142.658   10.604 -27.69505 18.28319 
1 1 1  -16   11   45 o  241.259   6.0294  158.252   7.8381  159.488   11.547  157.196   10.674  242.073   8.8271  240.445   8.2156 1.627914 12.05870 
1 1 1  -16   11   46 f  139.993   8.2943   53.617   6.2629   54.819   9.1790   52.569   8.5668  141.413   12.012  138.573   11.441 2.840042 16.58858 
1 1 1  -16   11   47 o  146.916   7.7338   59.190   6.1187   58.133   8.9866   60.104   8.3543  145.602   11.422  148.230   10.430 -2.628357 15.46762 
1 1 1  -16   11   48 o  151.214   7.5474   62.079   6.1356   70.117   9.2365   55.731   8.2083  159.882   10.691  142.547   10.656 17.33482 15.09485 
1 1 1  -16   11   49 o  203.829   6.4735  113.834   7.0992  110.862   10.459  116.372   9.6672  201.232   9.6184  206.426   8.6666 -5.194489 12.94696 
1 1 1  -16   11   50 o  289.208   5.8657  228.117   9.1304  232.425   13.583  224.566   12.332  291.569   8.6210  286.847   7.9563 4.721863 11.73133 
1 1 1  -16   11   51 o  154.342   7.6050   65.212   6.3160   71.714   9.4732   60.008   8.4745  161.177   10.877  147.507   10.632 13.67014 15.21007 
1 1 1  -16   11   52 o  168.715   7.0717   78.559   6.4150   77.039   9.5039   79.831   8.6944  167.035   10.529  170.395   9.4427 -3.359680 14.14335 
1 1 1  -16   11   53 o  124.471   9.0932   43.158   6.0730   50.783   8.9190   36.568   8.2923  134.874   12.238  114.069   13.453 20.80495 18.18641 
1 1 1  -16   11   54 o   77.204   13.366   17.447   5.6072   24.585   8.6034   12.175   7.3930   90.597   18.206   63.811   19.575 26.78575 26.73212 
1 1 1  -16   11   55 o  108.539   10.186   33.082   5.9250   37.484   9.1242   29.873   7.7912  114.559   14.739  102.518   14.064 12.04091 20.37267 
1 1 1  -16   11   56 o  166.246   7.5805   78.433   6.6865   66.416   9.8759   88.604   9.0856  153.673   11.893  178.819   9.4027 -25.14636 15.16093 
1 1 1  -16   11   57 o   52.529   12.230  -3.1655   5.7266   19.814   9.0097 -18.7422   7.4178   79.241   20.784   25.816   12.898 53.42493 24.46069 
1 1 1  -16   11   58 o  178.573   7.3057   88.715   7.0290   96.877   10.421   81.901   9.5213  186.045   10.365  171.100   10.298 14.94495 14.61133 
1 1 1  -16   11   59 o   54.456   13.505   6.3630   5.9189  -4.3942   8.6869   15.685   8.0865   38.857   17.897   70.056   20.231 -31.19864 27.01080 
1 1 1  -16   11   60 o  118.849   10.552   41.975   6.7325   41.570   10.054   42.304   9.0649  117.672   15.812  120.026   13.977 -2.354950 21.10355 
1 1 1  -16   11   61 o   68.113   14.613   15.256   6.7213   4.3160   10.275   23.438   8.8861   51.026   21.593   85.199   19.695 -34.17269 29.22583 
1 1 1  -16   11   62 o   79.334   17.593   21.946   8.1092   25.856   13.744   19.858   10.044   82.916   26.862   75.752   22.726 7.164223 35.18592 
1 1 1  -16   11   63 o  160.941   19.292   87.500   16.777   87.500   16.777   0.0000   0.0000  160.941   19.292  ?   ?       ?      ? 
1 1 1  -16   11   64 o   71.200   19.114   20.559   9.8991   24.640   16.152   18.104   12.528   74.526   28.594   67.875   25.374 6.650604 38.22896 
1 1 1  -16   12    1 o  352.607   5.5847  336.008   10.637  338.920   15.272  333.264   14.825  354.089   7.9817  351.125   7.8134 2.963806 11.16949 
1 1 1  -16   12    2 o  309.842   5.4687  259.220   9.1361  263.576   13.420  255.458   12.472  312.261   7.9535  307.423   7.5080 4.837830 10.93748 
1 1 1  -16   12    3 o  902.728   15.742  2210.06   76.781  2221.85  109.482  2198.65  107.709  905.078   22.386  900.379   22.138 4.699036 31.48347 
1 1 1  -16   12    4 o  1010.80   17.468  2764.59   95.148  2889.64  140.955  2659.91  128.963  1031.62   25.286  989.985   24.107 41.63446 34.93596 
1 1 1  -16   12    5 f  461.695   9.3296  575.873   23.243  591.667   33.948  561.937   31.890  467.634   13.435  455.756   12.949 11.87756 18.65913 
1 1 1  -16   12    6 o  982.063   16.945  2611.58   89.924   0.0000   0.0000  2611.58   89.924  ?   ?   982.063   16.945      ?      ? 
1 1 1  -16   12    7 o  1221.66   14.705  4045.39   97.067  4007.20  136.104  4084.91  138.473  1215.81   20.717  1227.51   20.876 -11.70129 29.41085 
1 1 1  -16   12    8 f  722.039   9.0797  1409.84   35.417  1384.82   49.424  1436.25   50.778  715.461   12.784  728.617   12.897 -13.15613 18.15931 
1 1 1  -16   12    9 o  1028.14   12.487  2863.26   69.372  2860.88   98.145  2865.64   98.068  1027.71   17.673  1028.57   17.644 -0.8586426 24.97303 
1 1 1  -16   12   10 o  551.385   7.2993  822.148   21.748  815.844   30.716  828.485   30.797  549.265   10.349  553.506   10.297 -4.241272 14.59861 
1 1 1  -16   12   11 o  597.669   10.914  966.093   35.246   0.0000   0.0000  966.093   35.246  ?   ?   597.669   10.914      ?      ? 
1 1 1  -16   12   12 o  657.365   8.3822  1168.96   29.774  1168.28   42.299  1169.64   41.916  657.170   11.911  657.560   11.797 -0.3903809 16.76431 
1 1 1  -16   12   13 o  1113.72   13.467  3361.79   81.044  3346.97  114.242  3376.80  114.989  1111.25   19.025  1116.19   19.065 -4.934204 26.93357 
1 1 1  -16   12   14 o  566.688   10.550  868.500   32.307   0.0000   0.0000  868.500   32.307  ?   ?   566.688   10.550      ?      ? 
1 1 1  -16   12   15 o  789.696   9.8184  1687.67   41.896  1674.48   58.946  1701.12   59.559  786.582   13.868  792.810   13.903 -6.228760 19.63688 
1 1 1  -16   12   16 o  877.535   10.796  2084.16   51.181  2051.54   71.460  2118.52   73.337  870.495   15.192  884.575   15.343 -14.07947 21.59140 
1 1 1  -16   12   17 o  480.175   6.6586  623.337   17.275  611.586   24.257  635.432   24.609  475.582   9.4388  484.767   9.3946 -9.184631 13.31729 
1 1 1  -16   12   18 o  483.806   6.7283  632.969   17.589  623.322   24.851  642.651   24.896  480.110   9.5791  487.503   9.4509 -7.392883 13.45651 
1 1 1  -16   12   19 o  454.141   6.4708  557.714   15.878  548.673   22.424  566.804   22.486  450.448   9.2128  457.835   9.0889 -7.387146 12.94153 
1 1 1  -16   12   20 o  302.762   5.6794  247.964   9.2859  243.113   13.283  252.600   12.986  299.860   8.1978  305.664   7.8624 -5.803406 11.35876 
1 1 1  -16   12   21 o  770.071   9.6530  1605.20   40.154  1623.26   57.683  1588.22   55.930  774.256   13.787  765.886   13.514 8.369385 19.30595 
1 1 1  -16   12   22 o  364.188   5.9489  358.586   11.704  347.870   16.434  369.616   16.674  358.666   8.4792  369.711   8.3461 -11.04547 11.89770 
1 1 1  -16   12   23 o  372.724   6.0342  375.864   12.145  369.375   17.403  382.025   16.958  369.579   8.7142  375.869   8.3492 -6.289124 12.06840 
1 1 1  -16   12   24 o  685.117   8.7903  1270.56   32.543  1263.58   46.043  1277.53   46.002  683.231   12.471  687.003   12.392 -3.771545 17.58066 
1 1 1  -16   12   25 o  427.975   8.9926  495.391   20.797   0.0000   0.0000  495.391   20.797  ?   ?   427.975   8.9926      ?      ? 
1 1 1  -16   12   26 o  632.842   8.2818  1083.62   28.314  1060.44   39.545  1108.01   40.559  625.902   11.692  639.781   11.732 -13.87915 16.56351 
1 1 1  -16   12   27 o  589.035   7.8786  939.013   25.076  928.613   35.393  949.496   35.534  585.756   11.182  592.313   11.102 -6.556824 15.75718 
1 1 1  -16   12   28 o  781.168   9.8334  1653.40   41.508  1641.02   58.538  1665.91   58.865  778.226   13.920  784.109   13.893 -5.882935 19.66679 
1 1 1  -16   12   29 o  388.873   6.3718  408.166   13.337  419.892   19.876  398.562   17.987  393.921   9.3374  383.825   8.6724 10.09567 12.74357 
1 1 1  -16   12   30 o  121.206   10.160   39.795   6.6322   40.385   9.8186   39.301   8.9942  122.014   14.892  120.399   13.825 1.615501 20.31969 
1 1 1  -16   12   31 o  436.997   6.6326  516.986   15.658  507.300   22.264  526.464   22.024  432.935   9.5170  441.059   9.2408 -8.123383 13.26518 
1 1 1  -16   12   32 o  443.593   6.6402  532.842   15.911  529.603   22.771  535.933   22.242  442.262   9.5281  444.925   9.2511 -2.662567 13.28036 
1 1 1  -16   12   33 o  526.699   7.2903  751.632   20.743  751.011   29.697  752.224   28.985  526.468   10.439  526.930   10.180 -0.4619141 14.58053 
1 1 1  -16   12   34 o  700.927   11.066  1335.65   39.328  1338.96   68.750  1334.04   47.948  700.748   18.156  701.106   12.656 -0.3577271 22.13194 
1 1 1  -16   12   35 o  447.005   13.746  543.018   33.204  543.018   33.204   0.0000   0.0000  447.005   13.746  ?   ?       ?      ? 
1 1 1  -16   12   37 o   53.528   16.131  -0.5893   8.3565  -5.0518   11.798   3.9032   11.838   48.556   21.761   58.499   23.818 -9.942757 32.26180 
1 1 1  -16   12   38 o  567.100   9.4966  877.591   27.175  871.847   47.829  880.329   33.023  564.888   15.669  569.312   10.734 -4.423767 18.99317 
1 1 1  -16   12   39 o  218.423   6.5378  129.776   7.6411  127.243   11.586  131.726   10.166  216.461   9.9049  220.385   8.5361 -3.924561 13.07563 
1 1 1  -16   12   40 o  487.453   6.9446  645.799   18.288  627.166   25.765  664.718   25.962  480.335   9.9267  494.570   9.7146 -14.23434 13.88928 
1 1 1  -16   12   41 o   70.717   13.165   12.182   6.0615   26.230   8.9780   0.4145   8.2170   96.073   17.954   45.361   19.259 50.71225 26.32929 
1 1 1  -16   12   42 o  223.889   6.3133  135.529   7.5961  142.326   11.462  130.206   10.144  228.821   9.2698  218.957   8.5732 9.864059 12.62655 
1 1 1  -16   12   43 o   90.535   12.416   24.155   5.8193   17.142   8.7335   29.755   7.8042   76.960   20.595  104.110   13.872 -27.14971 24.83146 
1 1 1  -16   12   44 o  339.768   6.0117  314.321   11.026  304.587   15.786  323.593   15.407  334.565   8.7318  344.972   8.2653 -10.40759 12.02330 
1 1 1  -16   12   45 o  177.524   6.9920   86.867   6.6163   79.553   9.9555   92.652   8.8548  170.596   10.800  184.452   8.8840 -13.85548 13.98409 
1 1 1  -16   12   46 o  144.896   8.0352   57.147   6.2468   60.814   9.5229   54.377   8.2762  148.859   11.839  140.933   10.868 7.925934 16.07047 
1 1 1  -16   12   47 o  387.313   6.2397  409.625   13.053  396.846   18.508  422.270   18.412  381.228   8.9846  393.397   8.6611 -12.16879 12.47947 
1 1 1  -16   12   48 o  171.057   7.2112   79.327   6.6282   90.313   10.005   70.733   8.8485  181.494   10.202  160.621   10.195 20.87308 14.42248 
1 1 1  -16   12   49 o  127.733   9.2620   46.182   6.2540   38.511   9.3003   52.514   8.4499  117.431   14.656  138.035   11.328 -20.60389 18.52405 
1 1 1  -16   12   50 o  129.832   8.8506   46.346   6.1768   52.389   9.3083   41.591   8.2566  137.307   12.545  122.356   12.488 14.95078 17.70125 
1 1 1  -16   12   51 o  144.922   8.0775   58.156   6.2657   58.330   9.5382   58.023   8.3102  144.867   12.184  144.976   10.608 -0.1089020 16.15509 
1 1 1  -16   12   52 o  143.791   8.3085   57.817   6.4121   54.795   9.4753   60.371   8.7093  140.021   12.523  147.561   10.922 -7.539780 16.61706 
1 1 1  -16   12   53 o  121.324   9.6797   41.966   6.2581   37.190   9.2743   45.959   8.4796  114.408   15.002  128.240   12.237 -13.83197 19.35942 
1 1 1  -16   12   54 o  116.882   9.7500   37.984   6.0937   46.393   9.3237   31.714   8.0512  128.086   13.471  105.677   14.099 22.40878 19.50003 
1 1 1  -16   12   55 o   41.650   12.859  -0.9658   5.6845  -6.3570   8.6939   3.0602   7.5130   37.563   17.508   45.737   18.838 -8.173576 25.71785 
1 1 1  -16   12   56 o  155.204   8.1256   67.936   6.6769   66.109   10.453   69.194   8.6777  152.805   12.660  157.604   10.189 -4.799042 16.25110 
1 1 1  -16   12   57 o  222.936   6.6353  135.718   7.9131  154.668   12.303  122.349   10.334  235.809   9.6555  210.064   9.1040 25.74522 13.27069 
1 1 1  -16   12   58 o   44.455   13.726   0.5974   6.1772   0.2401   9.4932   0.8597   8.1350   45.509   20.002   43.400   18.802 2.109417 27.45157 
1 1 1  -16   12   59 o   60.892   15.149   11.559   6.1172   12.759   9.5096   10.712   7.9896   63.064   22.322   58.720   20.486 4.344173 30.29708 
1 1 1  -16   12   60 o   51.150   14.669   5.7553   6.4054   3.1201   9.3725   8.0650   8.7744   47.972   20.472   54.327   21.013 -6.354679 29.33726 
1 1 1  -16   12   61 o   58.116   16.918   6.0783   7.6870   16.036   15.009   2.5375   8.9499   69.592   27.323   46.640   19.957 22.95130 33.83539 
1 1 1  -16   12   62 o   63.998   26.631   16.176   15.230   16.176   15.230   0.0000   0.0000   63.998   26.631  ?   ?       ?      ? 
1 1 1  -16   12   63 o   33.069   16.527 -25.6306   12.226   0.0000   0.0000 -25.6306   12.226  ?   ?    33.069   16.527      ?      ? 
1 1 1  -16   12   64 o   51.147   15.849   6.3170   7.7204   8.3288   14.668   5.5460   9.0800   54.699   24.406   47.595   20.227 7.104389 31.69833 
1 1 1  -16   13    1 o  172.312   10.417   81.029   9.5761   75.698   14.474   85.180   12.771  167.201   16.019  177.424   13.321 -10.22284 20.83421 
1 1 1  -16   13    2 o  1112.31   19.162  3363.72  115.175  3367.12  163.319  3360.36  162.448  1112.85   27.159  1111.77   27.040 1.086792 38.32483 
1 1 1  -16   13    3 o  608.713   11.396  1002.89   37.464  1016.22   54.012  990.541   52.010  612.591   16.317  604.836   15.913 7.754822 22.79184 
1 1 1  -16   13    4 o  702.576   8.9181  1335.41   33.857  1324.46   47.689  1346.54   48.075  699.672   12.613  705.481   12.611 -5.808899 17.83627 
1 1 1  -16   13    5 o  311.517   7.8799  262.334   13.264   0.0000   0.0000  262.334   13.264  ?   ?   311.517   7.8799      ?      ? 
1 1 1  -16   13    6 o  510.869   6.9543  705.743   19.197  699.158   27.139  712.337   27.158  508.482   9.8772  513.255   9.7922 -4.773773 13.90854 
1 1 1  -16   13    7 o  666.521   8.5139  1201.48   30.660  1183.11   42.911  1220.65   43.822  661.319   12.008  671.724   12.073 -10.40497 17.02784 
1 1 1  -16   13    8 o  310.027   7.7422  259.827   12.970   0.0000   0.0000  259.827   12.970  ?   ?   310.027   7.7422      ?      ? 
1 1 1  -16   13    9 o  656.548   8.4126  1165.81   29.842  1147.16   41.827  1185.16   42.591  651.201   11.886  661.896   11.908 -10.69489 16.82522 
1 1 1  -16   13   10 o  774.036   9.6597  1619.13   40.363  1572.90   55.596  1670.65   58.694  762.386   13.495  785.687   13.825 -23.30170 19.31949 
1 1 1  -16   13   11 o  103.714   9.0030   29.655   4.9278   22.665   7.0470   36.344   6.8935   91.508   14.251  115.919   11.005 -24.41016 18.00594 
1 1 1  -16   13   12 o  597.585   7.8238  965.880   25.262  966.742   35.964  965.040   35.493  597.845   11.132  597.326   10.996 0.5186768 15.64756 
1 1 1  -16   13   13 o  538.204   10.220  783.349   29.722   0.0000   0.0000  783.349   29.722  ?   ?   538.204   10.220      ?      ? 
1 1 1  -16   13   14 o  432.479   6.4019  503.233   14.924  467.623   20.278  545.307   22.043  415.872   9.0238  449.086   9.0834 -33.21454 12.80375 
1 1 1  -16   13   15 f  497.465   6.8994  669.133   18.545  655.551   26.077  683.031   26.378  492.356   9.8013  502.573   9.7130 -10.21750 13.79883 
1 1 1  -16   13   16 o  818.058   10.189  1811.32   45.032  1784.15   63.021  1839.66   64.371  811.797   14.366  824.319   14.451 -12.52228 20.37731 
1 1 1  -16   13   17 o  583.415   7.7339  919.725   24.367  890.556   33.745  951.502   35.222  573.765   10.884  593.066   10.991 -19.30103 15.46789 
1 1 1  -16   13   18 o  1105.60   13.415  3314.25   80.115  3258.59  111.511  3373.63  115.176  1096.04   18.828  1115.15   19.114 -19.11169 26.82951 
1 1 1  -16   13   19 o  667.504   8.5785  1205.44   30.935  1182.65   43.180  1229.46   44.341  661.031   12.088  673.978   12.175 -12.94666 17.15694 
1 1 1  -16   13   20 f  351.810   5.9513  334.673   11.304  335.244   16.338  334.148   15.657  352.092   8.5870  351.528   8.2423 0.5639954 11.90263 
1 1 1  -16   13   21 o  493.435   6.9458  658.325   18.516  643.357   25.885  674.008   26.497  487.694   9.8223  499.177   9.8232 -11.48230 13.89151 
1 1 1  -16   13   22 o  844.521   10.497  1932.05   47.905  1921.34   67.593  1942.85   67.904  842.170   14.853  846.872   14.838 -4.702271 20.99499 
1 1 1  -16   13   23 o  689.477   8.8571  1286.17   32.987  1257.11   45.898  1317.21   47.441  681.434   12.465  697.519   12.587 -16.08575 17.71425 
1 1 1  -16   13   24 o  197.532   7.1108  105.791   7.5685   96.877   10.726  114.631   10.681  189.215   10.490  205.849   9.6024 -16.63387 14.22161 
1 1 1  -16   13   25 o   87.055   14.120   21.576   6.5164   18.424   9.4666   24.414   8.9835   80.886   21.347   93.223   18.486 -12.33730 28.23900 
1 1 1  -16   13   26 o  465.194   6.8924  585.163   17.320  565.465   24.198  605.856   24.802  457.168   9.7953  473.221   9.6990 -16.05252 13.78474 
1 1 1  -16   13   27 o  275.429   6.4326  204.326   9.5408  215.932   14.224  194.834   12.864  282.498   9.3179  268.360   8.8709 14.13745 12.86527 
1 1 1  -16   13   28 o  391.832   6.4342  415.747   13.611  406.583   19.534  424.394   18.976  387.617   9.3262  396.046   8.8668 -8.428772 12.86847 
1 1 1  -16   13   29 o  494.616   7.1323  662.005   19.058  642.783   26.705  681.957   27.207  487.296   10.142  501.936   10.031 -14.63956 14.26454 
1 1 1  -16   13   30 o  494.854   7.0886  663.177   18.946  658.400   27.161  667.704   26.442  493.100   10.193  496.608   9.8534 -3.507996 14.17727 
1 1 1  -16   13   31 o  362.361   6.2742  354.969   12.249  361.792   18.103  349.207   16.636  365.544   9.1647  359.177   8.5715 6.366669 12.54843 
1 1 1  -16   13   32 o  335.269   6.2395  304.285   11.281  305.131   16.503  303.542   15.456  335.685   9.0977  334.854   8.5416 0.8308716 12.47908 
1 1 1  -16   13   33 o  325.032   7.8584  288.833   12.944  279.504   22.454  293.477   15.842  320.862   12.950  329.202   8.9054 -8.339600 15.71682 
1 1 1  -16   13   36 o  508.175   10.242  703.892   28.122  708.333   39.997  699.549   39.549  509.749   14.521  506.602   14.447 3.147766 20.48319 
1 1 1  -16   13   37 o  512.487   7.2234  712.925   19.985  716.694   28.936  709.488   27.634  513.731   10.423  511.244   10.003 2.486725 14.44671 
1 1 1  -16   13   38 o  227.983   6.5056  140.062   7.9280  147.705   12.273  134.589   10.385  233.221   9.7388  222.746   8.6283 10.47475 13.01120 
1 1 1  -16   13   39 o   99.876   12.422   29.164   6.3191   20.795   9.4123   36.033   8.5264   84.948   20.695  114.805   13.744 -29.85638 24.84345 
1 1 1  -16   13   40 o  254.771   6.2423  176.436   8.5605  174.046   12.629  178.467   11.644  253.113   9.2334  256.428   8.4031 -3.315338 12.48469 
1 1 1  -16   13   41 o   90.078   12.832   23.617   6.0422   18.228   9.1255   27.824   8.0627   79.466   20.953  100.690   14.819 -21.22386 25.66325 
1 1 1  -16   13   42 o   91.133   12.824   22.949   6.1709   31.136   9.4042   16.758   8.1778  106.156   16.394   76.110   19.723 30.04551 25.64702 
1 1 1  -16   13   43 o  276.974   6.0576  208.653   9.0173  209.150   13.476  208.249   12.134  277.175   8.9971  276.773   8.1134 0.4026794 12.11513 
1 1 1  -16   13   44 o  182.209   7.0280   91.367   6.7989   86.044   10.471   95.248   8.9397  177.394   10.924  187.023   8.8458 -9.629395 14.05603 
1 1 1  -16   13   45 f  129.030   8.9434   45.654   6.1780   46.782   9.4459   44.811   8.1670  130.276   13.418  127.785   11.828 2.490692 17.88680 
1 1 1  -16   13   46 o  108.250   10.253   32.922   5.8707   30.359   9.0718   34.768   7.7006  104.243   16.105  112.257   12.695 -8.013847 20.50663 
1 1 1  -16   13   47 o  176.655   7.0389   85.515   6.6539   85.366   10.131   85.628   8.8236  176.348   10.632  176.962   9.2274 -0.6142120 14.07773 
1 1 1  -16   13   48 o  156.014   8.0311   65.084   6.6579   84.250   10.416   51.844   8.6573  174.949   11.018  137.080   11.688 37.86888 16.06227 
1 1 1  -16   13   49 f  114.878   9.8763   36.607   6.1049   41.365   9.0866   32.692   8.2424  121.667   13.821  108.088   14.112 13.57922 19.75263 
1 1 1  -16   13   50 o   39.277   12.566  -3.9001   5.6551  -1.1395   8.7255  -5.8995   7.4258   43.613   19.172   34.941   16.250 8.672016 25.13222 
1 1 1  -16   13   51 o   79.485   13.637   18.891   5.8146   22.766   8.6246   15.662   7.8729   87.046   18.879   71.924   19.684 15.12243 27.27438 
1 1 1  -16   13   52 o  139.967   8.7203   54.174   6.5366   65.385   9.7574   45.047   8.8043  153.167   11.789  126.768   12.853 26.39902 17.44065 
1 1 1  -16   13   53 o   49.803   13.814   4.5372   5.7440  -1.1578   8.8282   8.7179   7.5641   43.336   19.157   56.269   19.909 -12.93328 27.62854 
1 1 1  -16   13   54 o  101.928   11.195   29.540   6.1163   34.315   9.3824   26.010   8.0657  108.933   15.939   94.922   15.725 14.01039 22.39035 
1 1 1  -16   13   55 o  139.845   9.0926   56.734   6.6773   43.917   9.7329   68.131   9.1779  123.631   14.569  156.058   10.883 -32.42730 18.18519 
1 1 1  -16   13   56 o  175.138   7.5658   86.525   7.0658   80.135   10.639   91.568   9.4512  168.741   11.668  181.535   9.6347 -12.79440 15.13170 
1 1 1  -16   13   57 o  134.176   9.1203   50.600   6.5482   58.078   10.164   45.293   8.5619  142.321   13.216  126.030   12.572 16.29080 18.24070 
1 1 1  -16   13   58 o  122.102   10.230   44.036   6.6365   39.969   10.003   47.234   8.8695  116.011   15.957  128.192   12.804 -12.18070 20.45902 
1 1 1  -16   13   59 o  215.499   6.9502  131.912   7.9898  122.479   12.017  139.386   10.697  207.713   10.706  223.285   8.8655 -15.57214 13.90035 
1 1 1  -16   13   60 o   87.025   16.197   27.735   7.8963   17.676   15.283   31.399   9.2226   71.890   27.753  102.161   16.706 -30.27088 32.39359 
1 1 1  -16   13   61 o   49.597   22.817  -0.5944   14.062  -0.5944   14.062   0.0000   0.0000   49.597   22.817  ?   ?       ?      ? 
1 1 1  -16   13   62 o   52.024   22.609   5.5248   11.837   0.0000   0.0000   5.5248   11.837  ?   ?    52.024   22.609      ?      ? 
1 1 1  -16   13   63 o   76.503   17.990   21.371   7.9521   34.662   15.320   16.469   9.3036   87.095   28.369   65.911   22.131 21.18423 35.98048 
1 1 1  -16   14    1 o  325.423   11.968  286.487   21.045   0.0000   0.0000  286.487   21.045  ?   ?   325.423   11.968      ?      ? 
1 1 1  -16   14    2 o  416.901   6.3169  469.937   14.229  461.748   20.093  478.175   20.154  413.255   8.9978  420.546   8.8687 -7.291107 12.63386 
1 1 1  -16   14    3 o  409.238   8.7178  452.795   19.278   0.0000   0.0000  452.795   19.278  ?   ?   409.238   8.7178      ?      ? 
1 1 1  -16   14    4 o  117.941   8.6110   37.583   5.4741   41.441   7.8927   34.006   7.5988  123.771   11.801  112.111   12.543 11.65987 17.22199 
1 1 1  -16   14    5 o  406.837   8.7305  447.498   19.193   0.0000   0.0000  447.498   19.193  ?   ?   406.837   8.7305      ?      ? 
1 1 1  -16   14    6 o  580.792   7.6789  912.346   24.099  910.742   34.202  913.928   33.961  580.283   10.908  581.302   10.812 -1.019409 15.35786 
1 1 1  -16   14    7 o  340.345   8.1807  313.151   15.045   0.0000   0.0000  313.151   15.045  ?   ?   340.345   8.1807      ?      ? 
1 1 1  -16   14    8 o  106.676   9.5195   30.897   5.4323   30.050   8.2282   31.551   7.2326  105.363   14.452  107.990   12.394 -2.626106 19.03898 
1 1 1  -16   14   10 o  763.459   13.560  1577.47   55.939   0.0000   0.0000  1577.47   55.939  ?   ?   763.459   13.560      ?      ? 
1 1 1  -16   14   11 o  656.398   8.4830  1165.53   30.082  1172.93   43.047  1158.46   42.056  658.428   12.099  654.368   11.894 4.060303 16.96597 
1 1 1  -16   14   12 o  547.591   7.4277  810.218   21.967  785.488   30.469  836.985   31.699  538.901   10.463  556.281   10.545 -17.38007 14.85540 
1 1 1  -16   14   13 o  650.802   8.4368  1145.99   29.669  1136.60   41.886  1155.44   42.032  648.126   11.960  653.479   11.903 -5.353210 16.87358 
1 1 1  -16   14   14 o  675.080   8.6698  1233.32   31.626  1228.76   44.830  1237.83   44.623  673.834   12.312  676.326   12.210 -2.491821 17.33967 
1 1 1  -16   14   15 o  625.244   8.1694  1057.83   27.601  1053.06   39.018  1062.60   39.049  623.834   11.575  626.655   11.532 -2.821045 16.33870 
1 1 1  -16   14   16 o  353.063   6.0392  336.899   11.514  341.844   16.644  332.361   15.944  355.542   8.6633  350.585   8.4165 4.956970 12.07845 
1 1 1  -16   14   17 o  875.532   10.848  2076.47   51.313  2047.35   71.750  2106.96   73.415  869.261   15.275  881.803   15.407 -12.54187 21.69584 
1 1 1  -16   14   18 o  698.480   8.9469  1320.70   33.768  1312.37   47.737  1329.04   47.774  696.273   12.688  700.687   12.618 -4.413879 17.89378 
1 1 1  -16   14   19 f  569.368   7.6945  877.173   23.670  872.832   33.701  881.400   33.254  567.970   10.981  570.766   10.782 -2.795532 15.38908 
1 1 1  -16   14   20 o  727.564   9.2663  1432.64   36.422  1406.98   50.833  1459.71   52.211  720.878   13.049  734.250   13.159 -13.37134 18.53259 
1 1 1  -16   14   21 o  572.104   7.7383  885.562   23.920  869.515   33.594  902.064   34.067  566.846   10.968  577.362   10.919 -10.51593 15.47656 
1 1 1  -16   14   22 o  462.972   6.8624  579.601   17.155  586.396   24.810  573.376   23.747  465.561   9.8618  460.382   9.5455 5.178284 13.72486 
1 1 1  -16   14   23 o  273.576   6.3434  202.344   9.3685  204.491   13.583  200.396   12.938  274.954   9.1422  272.198   8.7965 2.755798 12.68689 
1 1 1  -16   14   24 o  915.835   11.330  2274.47   56.066  2278.96   79.657  2270.07   78.928  916.718   16.080  914.953   15.964 1.765320 22.65909 
1 1 1  -16   14   25 o  199.270   7.4609  107.366   8.0279  113.257   11.551  101.861   11.165  204.555   10.450  193.985   10.652 10.57047 14.92181 
1 1 1  -16   14   26 o  254.154   6.6564  173.949   9.0706  181.406   13.832  168.323   12.015  258.888   9.8877  249.419   8.9143 9.468765 13.31286 
1 1 1  -16   14   27 f  477.917   6.9935  618.190   18.058  604.125   25.450  632.450   25.627  472.436   9.9693  483.398   9.8108 -10.96204 13.98708 
1 1 1  -16   14   28 o  462.342   6.8814  578.388   17.186  556.747   24.050  600.970   24.567  453.501   9.8141  471.184   9.6489 -17.68231 13.76288 
1 1 1  -16   14   29 o  200.050   7.3045  107.468   7.8497  116.895   11.915  100.240   10.434  207.719   10.615  192.380   10.037 15.33879 14.60905 
1 1 1  -16   14   30 o  288.181   6.2393  224.884   9.6946  224.205   14.177  225.481   13.287  287.752   9.1177  288.609   8.5196 -0.8578186 12.47858 
1 1 1  -16   14   31 o  587.451   11.085  935.588   35.189   0.0000   0.0000  935.588   35.189  ?   ?   587.451   11.085      ?      ? 
1 1 1  -16   14   32 o  382.523   14.170  397.748   29.289  397.748   29.289   0.0000   0.0000  382.523   14.170  ?   ?       ?      ? 
1 1 1  -16   14   34 o   77.561   26.370   15.583   13.210   15.583   13.210   0.0000   0.0000   77.561   26.370  ?   ?       ?      ? 
1 1 1  -16   14   35 o  161.260   9.5027   69.731   7.6940   73.761   13.878   67.943   9.2448  164.349   15.627  158.172   10.816 6.176895 19.00533 
1 1 1  -16   14   36 o  209.614   7.0314  121.324   7.8246   99.732   11.399  140.563   10.760  191.561   11.012  227.666   8.7463 -36.10464 14.06286 
1 1 1  -16   14   37 o  156.338   8.2341   67.263   6.8735   60.365   10.193   73.015   9.3081  148.798   12.678  163.879   10.511 -15.08084 16.46830 
1 1 1  -16   14   38 o  322.685   6.1899  283.163   10.770  274.201   15.593  291.340   14.894  317.734   9.0819  327.636   8.4129 -9.901550 12.37978 
1 1 1  -16   14   39 o  178.484   7.5564   87.614   7.1880   80.209   10.822   93.458   9.6152  171.538   11.675  185.430   9.5960 -13.89145 15.11284 
1 1 1  -16   14   40 o   63.027   15.063   9.8753   5.9770   13.359   9.7283   7.7631   7.5755   69.787   22.598   56.268   19.922 13.51920 30.12571 
1 1 1  -16   14   41 o  219.829   6.6161  131.143   7.7880  134.531   11.904  128.608   10.298  222.202   9.9141  217.455   8.7636 4.746536 13.23218 
1 1 1  -16   14   42 o  124.776   9.2530   42.253   6.1462   45.563   9.6957   40.029   7.9470  128.679   13.944  120.873   12.167 7.806412 18.50591 
1 1 1  -16   14   43 o  143.729   8.5970   57.447   6.5555   51.577   9.9506   61.948   8.7137  136.913   13.450  150.546   10.711 -13.63257 17.19394 
1 1 1  -16   14   44 o   75.063   13.804   14.689   5.7887   25.435   9.5044   8.3514   7.2987   93.457   19.453   56.668   19.590 36.78876 27.60796 
1 1 1  -16   14   45 o  196.088   7.0443  106.233   7.3643   98.137   11.105  112.590   9.8392  189.115   10.866  203.060   8.9670 -13.94518 14.08856 
1 1 1  -16   14   46 o  145.521   8.3347   57.609   6.4765   63.007   10.120   53.865   8.4285  151.072   12.397  139.969   11.144 11.10211 16.66940 
1 1 1  -16   14   47 o   76.310   14.630   17.583   6.2037   14.884   9.5650   19.544   8.1504   71.300   22.331   81.319   18.906 -10.01947 29.25924 
1 1 1  -16   14   48 o   86.471   13.666   22.147   6.1898   23.635   9.3638   20.993   8.2491   88.848   19.988   84.095   18.642 4.752403 27.33213 
1 1 1  -16   14   49 o   79.089   13.627   17.721   5.8035   26.038   9.2270   12.277   7.4650   93.609   18.892   64.569   19.643 29.04030 27.25399 
1 1 1  -16   14   50 o  296.362   6.1891  242.132   9.8550  231.386   14.537  251.270   13.406  289.956   9.2780  302.767   8.1939 -12.81122 12.37827 
1 1 1  -16   14   51 o  128.114   9.8335   47.764   6.5286   39.522   10.212   53.462   8.4906  117.560   16.075  138.668   11.331 -21.10880 19.66706 
1 1 1  -16   14   52 o  150.202   8.3778   62.408   6.7624   71.279   10.184   55.413   9.0438  159.663   11.804  140.740   11.892 18.92242 16.75570 
1 1 1  -16   14   53 o  125.418   9.5644   43.851   6.3972   49.486   10.078   40.049   8.2790  131.762   14.155  119.075   12.867 12.68718 19.12883 
1 1 1  -16   14   54 o  162.945   10.047   73.896   8.8467   0.0000   0.0000   73.896   8.8467  ?   ?   162.945   10.047      ?      ? 
1 1 1  -16   14   55 o  163.816   7.9050   75.754   6.9158   71.218   10.407   79.341   9.2548  158.870   12.123  168.762   10.149 -9.891983 15.81002 
1 1 1  -16   14   56 o   56.282   14.967   8.5733   6.0789   9.2735   9.6924   8.1192   7.8048   58.235   22.196   54.330   20.084 3.904613 29.93352 
1 1 1  -16   14   57 o   66.339   14.736   12.791   6.2166   21.682   9.5931   6.3549   8.1624   81.318   21.503   51.359   20.154 29.95972 29.47129 
1 1 1  -16   14   58 o  140.551   9.1388   57.200   6.8565   58.563   10.581   56.213   9.0024  141.252   13.862  139.850   11.913 1.402252 18.27761 
1 1 1  -16   14   59 o  151.622   12.295   70.098   8.5978   68.536   17.049   70.631   9.9566  145.916   21.622  157.327   11.712 -11.41141 24.59039 
1 1 1  -16   14   60 o  177.187   18.621   99.369   17.829   99.369   17.829   0.0000   0.0000  177.187   18.621  ?   ?       ?      ? 
1 1 1  -16   14   61 o  158.675   13.999   85.939   11.628   78.468   18.005   91.284   15.230  148.002   22.514  169.348   16.643 -21.34644 27.99720 
1 1 1  -16   14   62 f   72.179   16.876   20.738   7.6083   17.622   14.744   21.869   8.8823   65.956   26.681   78.402   20.671 -12.44652 33.75127 
1 1 1  -16   15    1 o  872.685   10.817  2061.69   50.996  2032.46   71.214  2092.46   73.062  866.350   15.212  879.021   15.382 -12.67157 21.63317 
1 1 1  -16   15    2 o  523.849   7.2833  742.191   20.611  742.311   29.504  742.077   28.805  523.883   10.422  523.814   10.177 0.6958008E-01 14.56659 
1 1 1  -16   15    3 o  624.725   11.551  1055.85   38.996   0.0000   0.0000  1055.85   38.996  ?   ?   624.725   11.551      ?      ? 
1 1 1  -16   15    5 o  774.235   9.7589  1620.31   40.788  1572.71   56.182  1673.35   59.311  762.247   13.640  786.223   13.961 -23.97632 19.51787 
1 1 1  -16   15    6 f  730.508   9.2959  1442.80   36.671  1403.60   50.756  1485.62   53.041  720.147   13.043  740.869   13.249 -20.72217 18.59180 
1 1 1  -16   15    7 o  297.608   5.8988  238.768   9.4611  248.713   14.000  230.409   12.836  303.290   8.5425  291.926   8.1369 11.36328 11.79759 
1 1 1  -16   15    9 o  330.008   5.9575  294.344   10.616  279.225   14.857  310.119   15.176  321.349   8.5557  338.668   8.2926 -17.31931 11.91503 
1 1 1  -16   15   11 o  531.003   7.3105  762.595   20.968  768.481   30.129  757.067   29.200  532.981   10.461  529.024   10.214 3.957336 14.62099 
1 1 1  -16   15   12 o  323.375   6.0510  282.896   10.554  280.863   15.375  284.707   14.512  322.267   8.8293  324.483   8.2768 -2.216309 12.10210 
1 1 1  -16   15   13 o  644.566   8.4032  1124.27   29.266  1108.12   41.093  1140.89   41.691  639.871   11.885  649.262   11.883 -9.391052 16.80647 
1 1 1  -16   15   14 o  854.795   10.637  1978.97   49.125  1948.59   68.666  2010.83   70.309  848.085   14.984  861.504   15.103 -13.41895 21.27469 
1 1 1  -16   15   15 o  730.582   9.3147  1444.97   36.771  1428.62   51.759  1461.65   52.250  726.406   13.186  734.758   13.160 -8.351746 18.62949 
1 1 1  -16   15   17 o  322.433   6.4109  281.196   11.155  262.474   15.654  300.515   15.901  311.519   9.2991  333.347   8.8276 -21.82855 12.82186 
1 1 1  -16   15   18 f  324.352   8.9731  284.542   15.727   0.0000   0.0000  284.542   15.727  ?   ?   324.352   8.9731      ?      ? 
1 1 1  -16   15   19 o  688.576   8.9356  1281.81   33.217  1237.65   45.791  1330.87   48.260  676.089   12.534  701.063   12.739 -24.97357 17.87127 
1 1 1  -16   15   20 f  242.880   6.7275  159.880   8.8119  150.111   12.564  169.338   12.362  235.552   9.8708  250.207   9.1435 -14.65422 13.45502 
1 1 1  -16   15   21 o  253.517   6.6535  173.653   9.1087  179.635   13.178  168.181   12.604  257.690   9.4640  249.343   9.3546 8.347427 13.30697 
1 1 1  -16   15   22 o  183.357   7.8336   90.917   7.7517   97.570   11.135   84.661   10.798  189.867   10.853  176.847   11.299 13.01926 15.66722 
1 1 1  -16   15   23 o  363.103   6.3661  356.568   12.475  359.470   18.144  353.966   17.179  364.492   9.2119  361.714   8.7892 2.777893 12.73226 
1 1 1  -16   15   24 f  406.419   6.5638  445.039   14.384  415.112   19.593  480.022   21.183  391.666   9.2575  421.172   9.3077 -29.50665 13.12764 
1 1 1  -16   15   25 o  181.958   8.0399   89.930   7.8632   86.801   11.620   92.574   10.680  179.004   12.013  184.912   10.689 -5.907806 16.07975 
1 1 1  -16   15   26 o  400.818   6.5275  434.868   14.134  431.823   20.178  437.801   19.805  399.431   9.3485  402.204   9.1126 -2.772705 13.05502 
1 1 1  -16   15   27 o  643.230   8.4804  1121.59   29.474  1105.18   41.450  1138.38   41.920  638.466   12.014  647.993   11.972 -9.526550 16.96089 
1 1 1  -16   15   28 o  431.875   6.7284  505.228   15.697  491.202   22.201  519.251   22.198  425.865   9.6474  437.884   9.3815 -12.01944 13.45678 
1 1 1  -16   15   29 o  327.654   6.3827  290.715   11.285  290.612   16.395  290.807   15.557  327.580   9.2622  327.728   8.7844 -0.1484070 12.76537 
1 1 1  -16   15   30 o   54.392   17.399  -8.8608   10.844  -4.2523   16.652 -12.2545   14.290   60.023   26.433   48.760   22.633 11.26287 34.79830 
1 1 1  -16   15   33 o  240.020   9.4543  156.492   12.247  146.757   16.912  167.230   17.760  232.172   13.480  247.868   13.260 -15.69637 18.90865 
1 1 1  -16   15   34 o  301.042   6.2314  245.122   10.101  252.775   15.016  238.797   13.652  305.286   9.1026  296.797   8.5124 8.489716 12.46272 
1 1 1  -16   15   35 o  264.913   6.3903  190.275   9.1062  191.891   13.564  188.949   12.286  265.884   9.4411  263.941   8.6144 1.943817 12.78054 
1 1 1  -16   15   36 o  564.370   7.7571  866.999   23.652  857.981   33.656  875.799   33.246  561.423   11.094  567.317   10.845 -5.893250 15.51422 
1 1 1  -16   15   37 o  318.708   6.2336  276.151   10.714  269.407   15.532  282.273   14.799  314.934   9.1269  322.482   8.4928 -7.547485 12.46711 
1 1 1  -16   15   38 o  434.807   6.6682  513.370   15.658  489.433   21.796  538.898   22.508  424.323   9.5058  445.292   9.3542 -20.96884 13.33648 
1 1 1  -16   15   39 o  145.741   8.7643   57.146   6.8404   65.327   10.571   51.253   8.9719  154.534   12.660  136.949   12.124 17.58514 17.52855 
1 1 1  -16   15   40 o  138.457   8.7880   52.906   6.4726   50.045   9.9162   55.029   8.5437  134.986   13.595  141.928   11.140 -6.941696 17.57604 
1 1 1  -16   15   41 o  107.305   11.000   31.415   6.3333   36.904   9.5705   27.138   8.4476  115.571   15.325   99.040   15.785 16.53020 22.00022 
1 1 1  -16   15   42 o  224.190   6.5759  136.982   7.9329  137.328   11.775  136.695   10.734  224.358   9.7128  224.021   8.8675 0.3371277 13.15182 
1 1 1  -16   15   43 o  115.298   10.053   35.673   6.1620   45.897   9.6560   28.649   8.0035  128.885   13.865  101.712   14.562 27.17359 20.10671 
1 1 1  -16   15   44 o   93.854   12.694   25.882   6.2085   20.126   9.1334   30.826   8.4650   82.447   20.568  105.262   14.882 -22.81493 25.38784 
1 1 1  -16   15   45 o  238.999   6.4076  155.921   8.2240  158.165   12.374  154.147   11.007  240.391   9.5258  237.608   8.5725 2.782471 12.81518 
1 1 1  -16   15   46 o  135.338   9.2637   49.561   6.6886   59.937   10.499   42.474   8.6772  146.928   13.224  123.748   12.976 23.18058 18.52743 
1 1 1  -16   15   47 o  201.112   7.0679  111.176   7.5845  111.746   11.695  110.762   9.9642  201.276   10.752  200.947   9.1764 0.3288116 14.13570 
1 1 1  -16   15   48 o  187.382   7.1554   97.447   7.1336   92.216   10.919  101.341   9.4223  182.608   11.066  192.156   9.0743 -9.547684 14.31073 
1 1 1  -16   15   49 o   83.111   14.362   20.584   6.3974   25.915   9.7614   16.570   8.4701   92.453   20.111   73.769   20.508 18.68472 28.72317 
1 1 1  -16   15   50 o  307.475   6.2403  259.914   10.325  260.233   15.318  259.649   13.977  307.403   9.2213  307.548   8.4103 -0.1443176 12.48067 
1 1 1  -16   15   51 o   50.353   14.231   4.2428   6.1469  -1.4452   9.4886   8.3562   8.0689   44.564   19.772   56.141   20.474 -11.57693 28.46214 
1 1 1  -16   15   52 o  107.543   11.481   34.549   6.2927   30.160   9.7461   37.686   8.2405   99.713   18.777  115.373   13.218 -15.65964 22.96269 
1 1 1  -16   15   53 o   53.283   14.299   3.6244   6.0596   14.654   9.8873  -3.0108   7.6686   68.547   22.813   38.019   17.245 30.52744 28.59737 
1 1 1  -16   15   54 o  175.129   7.7390   84.808   7.2581   93.564   11.208   78.486   9.5248  182.582   11.360  167.676   10.512 14.90656 15.47800 
1 1 1  -16   15   55 o   39.467   12.730  -3.6979   6.0927  -7.4909   9.2377  -0.7776   8.1056   37.582   17.687   41.353   18.314 -3.770718 25.46016 
1 1 1  -16   15   56 o   85.122   14.502   23.278   6.5422   23.549   10.022   23.077   8.6359   84.733   21.772   85.510   19.164 -0.7766724 29.00500 
1 1 1  -16   15   57 o   44.674   13.944   0.3392   6.4211   3.0205   10.345  -1.3411   8.1895   49.181   21.255   40.167   18.056 9.013462 27.88882 
1 1 1  -16   15   58 o  127.074   14.665   50.303   8.2462   54.077   16.923   49.128   9.4432  124.054   26.073  130.095   13.433 -6.040512 29.32962 
1 1 1  -16   15   59 o  200.185   17.495  123.649   18.925  123.649   18.925   0.0000   0.0000  200.185   17.495  ?   ?       ?      ? 
1 1 1  -16   15   60 o   79.695   29.594   30.968   16.984   30.968   16.984   0.0000   0.0000   79.695   29.594  ?   ?       ?      ? 
1 1 1  -16   15   61 f  162.258   11.380   80.136   8.7202   86.351   17.102   77.952   10.137  161.018   19.656  163.499   11.474 -2.480972 22.75957 
1 1 1  -16   16    2 o  423.425   6.5694  484.986   15.029  477.985   21.332  491.885   21.177  420.385   9.3905  426.464   9.1894 -6.078430 13.13875 
1 1 1  -16   16    3 o  378.300   6.3734  386.716   13.002  391.947   19.061  382.163   17.781  380.680   9.2662  375.920   8.7533 4.760529 12.74687 
1 1 1  -16   16    4 o  694.646   8.9589  1304.39   33.599  1263.45   46.341  1349.77   48.786  683.181   12.553  706.110   12.786 -22.92908 17.91790 
1 1 1  -16   16    5 o  485.432   7.0454  637.528   18.478  624.600   26.157  650.404   26.105  480.513   10.074  490.351   9.8523 -9.838531 14.09083 
1 1 1  -16   16    6 o  892.736   11.088  2157.58   53.452  2104.84   73.923  2215.36   77.382  881.342   15.522  904.131   15.839 -22.78894 22.17643 
1 1 1  -16   16    7 o  297.510   8.6502  239.363   13.906   0.0000   0.0000  239.363   13.906  ?   ?   297.510   8.6502      ?      ? 
1 1 1  -16   16    8 o  722.300   9.2587  1412.52   36.137  1400.65   51.026  1424.46   51.184  719.252   13.129  725.347   13.059 -6.095642 18.51746 
1 1 1  -16   16    9 o  499.490   7.2018  674.927   19.437  663.399   27.433  686.545   27.542  495.204   10.252  503.777   10.117 -8.573273 14.40370 
1 1 1  -16   16   10 o  503.086   7.2142  683.019   19.564  707.146   28.880  662.556   26.596  511.262   10.453  494.910   9.9450 16.35135 14.42836 
1 1 1  -16   16   11 o  767.930   13.806  1596.92   57.291   0.0000   0.0000  1596.92   57.291  ?   ?   767.930   13.806      ?      ? 
1 1 1  -16   16   12 o  404.499   9.2310  442.523   20.177   0.0000   0.0000  442.523   20.177  ?   ?   404.499   9.2310      ?      ? 
1 1 1  -16   16   13 f  124.085   11.415   44.288   7.0760   31.308   10.558   54.873   9.5342  105.794   19.174  142.376   12.392 -36.58257 22.83046 
1 1 1  -16   16   14 o  493.506   9.9803  658.872   26.615   0.0000   0.0000  658.872   26.615  ?   ?   493.506   9.9803      ?      ? 
1 1 1  -16   16   15 o  699.348   9.1011  1317.81   34.273  1250.16   46.182  1400.74   51.135  679.504   12.577  719.192   13.158 -39.68768 18.20219 
1 1 1  -16   16   16 o  743.407   9.5255  1492.78   38.192  1433.68   52.085  1561.51   56.168  727.567   13.248  759.247   13.690 -31.68005 19.05107 
1 1 1  -16   16   17 f  565.300   7.7680  864.825   23.725  865.265   33.867  864.400   33.246  565.432   11.084  565.167   10.886 0.2658691 15.53604 
1 1 1  -16   16   18 o  346.440   6.4812  324.457   12.123  329.204   17.557  320.132   16.760  348.853   9.3138  344.026   9.0154 4.827332 12.96244 
1 1 1  -16   16   19 o  415.480   9.3682  467.002   21.033   0.0000   0.0000  467.002   21.033  ?   ?   415.480   9.3682      ?      ? 
1 1 1  -16   16   21 f  381.455   6.5377  393.795   13.473  385.326   19.063  402.248   19.045  377.350   9.3489  385.560   9.1413 -8.210358 13.07541 
1 1 1  -16   16   22 o  449.419   6.8532  546.588   16.641  534.545   23.423  558.863   23.646  444.416   9.7536  454.423   9.6297 -10.00632 13.70632 
1 1 1  -16   16   23 o  188.055   7.6769   95.782   7.7928   95.272   11.269   96.249   10.788  187.565   11.118  188.545   10.589 -0.9795532 15.35385 
1 1 1  -16   16   24 o  302.944   6.4636  248.669   10.565  242.755   15.260  254.112   14.641  299.464   9.4303  306.424   8.8420 -6.960083 12.92719 
1 1 1  -16   16   25 o  456.246   6.9408  563.778   17.110  553.692   24.176  573.900   24.219  452.149   9.8948  460.344   9.7361 -8.194916 13.88160 
1 1 1  -16   16   26 o  328.392   6.3617  292.374   11.272  283.087   16.230  301.027   15.666  323.324   9.2893  333.459   8.6944 -10.13437 12.72333 
1 1 1  -16   16   27 o  254.034   6.6814  174.427   9.1259  178.280   13.669  171.328   12.258  256.532   9.8607  251.536   9.0184 4.996765 13.36280 
1 1 1  -16   16   28 o  565.142   9.6412  860.513   27.708  846.851   33.754  888.739   48.518  558.826   11.178  571.458   15.712 -12.63196 19.28239 
1 1 1  -16   16   31 o  175.775   16.246   84.392   15.431   84.392   15.431   0.0000   0.0000  175.775   16.246  ?   ?       ?      ? 
1 1 1  -16   16   32 f  305.293   6.5206  253.144   10.715  248.508   15.789  257.102   14.588  302.642   9.6547  307.944   8.7670 -5.301605 13.04124 
1 1 1  -16   16   33 o   86.402   18.688   21.286   8.4714   0.0000   0.0000   21.286   8.4714  ?   ?    86.402   18.688      ?      ? 
1 1 1  -16   16   34 o   66.044   15.660   11.486   6.5375   10.805   10.193   11.962   8.5212   65.855   23.129   66.233   21.119 -0.3775635 31.31996 
1 1 1  -16   16   35 o  330.863   6.3176  297.611   11.261  292.683   16.500  301.907   15.408  328.226   9.3032  333.500   8.5497 -5.274506 12.63512 
1 1 1  -16   16   36 o  340.517   6.3022  315.011   11.568  313.191   16.936  316.603   15.838  339.531   9.2309  341.503   8.5827 -1.971466 12.60448 
1 1 1  -16   16   37 o  344.804   6.3427  322.559   11.782  329.671   17.431  316.576   15.988  348.232   9.2631  341.377   8.6669 6.854950 12.68542 
1 1 1  -16   16   38 o  129.963   9.7199   45.956   6.7151   48.533   10.605   44.231   8.6759  132.822   14.776  127.105   12.632 5.716286 19.43974 
1 1 1  -16   16   39 o  419.510   6.6262  479.340   15.004  480.096   21.743  478.653   20.731  419.747   9.5862  419.273   9.1504 0.4734497 13.25236 
1 1 1  -16   16   40 o  287.349   6.2855  224.633   9.7119  226.793   14.500  222.876   13.079  288.495   9.3010  286.203   8.4571 2.292480 12.57105 
1 1 1  -16   16   41 o  189.840   7.1782   98.653   7.2784   97.041   11.121   99.860   9.6262  188.316   10.929  191.364   9.3091 -3.048004 14.35639 
1 1 1  -16   16   42 o   87.105   13.550   21.625   6.1219   25.745   9.7017   18.899   7.8913   93.778   19.768   80.432   18.537 13.34537 27.09981 
1 1 1  -16   16   43 o  128.112   9.6920   46.478   6.5339   39.814   9.9764   51.484   8.6462  119.457   15.455  136.767   11.699 -17.31004 19.38398 
1 1 1  -16   16   44 o   79.761   21.492   18.977   9.4719   18.977   9.4719   0.0000   0.0000   79.761   21.492  ?   ?       ?      ? 
1 1 1  -16   16   45 o  224.350   6.5943  137.478   7.9027  140.807   12.191  135.066   10.379  226.463   9.9622  222.237   8.6424 4.226303 13.18851 
1 1 1  -16   16   46 o   82.133   13.946   19.591   6.0138   23.922   9.6556   16.846   7.6869   89.147   20.475   75.118   18.941 14.02827 27.89279 
1 1 1  -16   16   47 f   46.038   13.472   1.3881   5.7959  -4.5275   8.6659   6.1758   7.7961   39.759   18.149   52.316   19.915 -12.55643 26.94366 
1 1 1  -16   16   48 o   67.790   15.011   13.443   6.0116   15.860   9.5830   11.874   7.7196   72.158   22.311   63.421   20.088 8.737045 30.02179 
1 1 1  -16   16   49 o  221.735   6.7738  134.333   7.9773  142.502   12.644  128.932   10.282  226.920   10.312  216.549   8.7868 10.37074 13.54755 
1 1 1  -16   16   50 o  263.371   6.3883  192.034   9.0367  183.211   13.343  199.510   12.282  257.421   9.5926  269.322   8.4393 -11.90094 12.77657 
1 1 1  -16   16   51 o  114.209   11.002   37.464   6.7194   38.531   10.315   36.678   8.8564  115.132   16.579  113.286   14.467 1.845978 22.00411 
1 1 1  -16   16   52 o   36.779   12.197  -7.3713   6.0334  -4.2161   9.2533  -9.7048   7.9575   40.802   18.674   32.757   15.697 8.044838 24.39459 
1 1 1  -16   16   53 o   49.718   14.070   1.7955   6.1703   11.438   9.5475  -5.1202   8.0856   62.465   22.339   36.970   17.112 25.49547 28.13951 
1 1 1  -16   16   54 o   73.562   14.926   17.509   6.2532   16.273   9.2899   18.533   8.4557   70.929   21.973   76.195   20.207 -5.265991 29.85199 
1 1 1  -16   16   55 o  129.230   10.427   50.797   6.8959   38.536   10.632   59.701   9.0602  113.323   17.362  145.137   11.552 -31.81446 20.85423 
1 1 1  -16   16   56 o  140.962   9.3994   58.239   7.0411   56.037   10.832   59.850   9.2653  137.599   14.569  144.324   11.880 -6.725937 18.79885 
1 1 1  -16   16   57 f   50.441   16.069  -0.9868   7.6718   7.7500   16.191  -3.5164   8.7120   61.504   26.586   39.377   18.057 22.12745 32.13819 
1 1 1  -16   16   58 o   79.390   28.766   24.550   15.892   24.550   15.892   0.0000   0.0000   79.390   28.766  ?   ?       ?      ? 
1 1 1  -16   16   59 o   50.259   23.387   0.5050   15.410   0.5050   15.410   0.0000   0.0000   50.259   23.387  ?   ?       ?      ? 
1 1 1  -16   16   60 o  130.330   12.915   47.508   8.1979   74.775   16.547   38.639   9.4375  148.837   20.574  111.822   15.619 37.01437 25.83100 
1 1 1  -16   16   61 o   62.835   15.162   15.337   6.7664   7.7957   10.560   20.589   8.8132   51.517   21.850   74.152   21.027 -22.63445 30.32445 
1 1 1  -16   17    1 o  126.111   15.227   47.703   8.5645   51.545   9.9846   37.005   16.661  137.972   13.392  114.250   27.351 23.72196 30.45354 
1 1 1  -16   17    2 o  1010.26   12.455  2764.48   67.933  2690.41   93.694  2846.57   98.642  996.054   17.408  1024.46   17.819 -28.40991 24.91044 
1 1 1  -16   17    3 o  424.868   6.8160  488.280   15.648  485.100   22.159  491.442   22.100  423.486   9.6834  426.250   9.5950 -2.763641 13.63201 
1 1 1  -16   17    4 o  675.754   8.8702  1235.62   32.383  1209.37   45.232  1263.21   46.382  668.398   12.523  683.110   12.565 -14.71173 17.74048 
1 1 1  -16   17    5 o  404.225   9.3127  441.946   20.342   0.0000   0.0000  441.946   20.342  ?   ?   404.225   9.3127      ?      ? 
1 1 1  -16   17    7 o  301.917   9.1760  246.546   14.970   0.0000   0.0000  246.546   14.970  ?   ?   301.917   9.1760      ?      ? 
1 1 1  -16   17    8 o  409.719   6.7938  454.134   15.039  452.054   21.426  456.155   21.115  408.789   9.6997  410.649   9.5153 -1.859741 13.58766 
1 1 1  -16   17    9 f  916.735   11.408  2278.49   56.510  2282.25   80.290  2274.79   79.548  917.473   16.195  915.997   16.071 1.476624 22.81579 
1 1 1  -16   17   10 o  787.140   10.036  1678.61   42.689  1671.93   60.335  1685.31   60.409  785.568   14.213  788.712   14.174 -3.143494 20.07295 
1 1 1  -16   17   11 o  655.185   8.7012  1158.38   30.746  1102.51   41.907  1223.51   45.246  638.149   12.153  672.222   12.456 -34.07269 17.40245 
1 1 1  -16   17   13 o  647.539   8.5784  1133.46   29.990  1094.57   41.371  1176.52   43.538  635.863   12.040  659.216   12.222 -23.35284 17.15676 
1 1 1  -16   17   14 o  299.949   6.6961  243.393   10.832  243.255   15.824  243.515   14.858  299.857   9.7660  300.041   9.1640 -0.1839905 13.39229 
1 1 1  -16   17   15 o  660.868   8.7416  1182.68   31.214  1178.51   44.405  1186.74   43.887  659.707   12.456  662.029   12.268 -2.322327 17.48317 
1 1 1  -16   17   16 o  562.378   7.8285  855.289   23.777  828.775   32.977  883.998   34.315  553.314   11.029  571.443   11.113 -18.12885 15.65699 
1 1 1  -16   17   17 o  634.032   8.4917  1088.73   29.092  1072.17   40.940  1105.63   41.346  629.157   12.042  638.908   11.976 -9.751099 16.98339 
1 1 1  -16   17   18 o  593.400   8.0994  953.680   25.969  950.485   36.950  956.798   36.504  592.407   11.543  594.393   11.365 -1.985779 16.19889 
1 1 1  -16   17   20 o  225.521   7.3526  138.023   8.9362  131.712   12.927  143.801   12.367  220.551   10.846  230.491   9.9297 -9.940186 14.70520 
1 1 1  -16   17   21 o  438.858   6.8903  521.394   16.337  508.729   23.055  534.168   23.154  433.496   9.8421  444.219   9.6456 -10.72360 13.78062 
1 1 1  -16   17   22 o  646.372   8.5728  1131.14   29.919  1093.10   41.322  1173.06   43.377  634.979   12.043  657.764   12.204 -22.78564 17.14569 
1 1 1  -16   17   23 o  455.483   7.0110  561.252   17.241  530.450   23.953  594.371   24.838  442.518   10.017  468.448   9.8120 -25.92902 14.02198 
1 1 1  -16   17   24 o  616.914   8.3020  1032.10   27.674  1028.56   39.331  1035.58   38.944  615.848   11.819  617.979   11.662 -2.131104 16.60407 
1 1 1  -16   17   25 o  230.758   8.5366  142.210   10.280  136.198   12.834  152.973   17.171  224.168   10.595  237.349   13.388 -13.18164 17.07312 
1 1 1  -16   17   26 o  166.806   11.801   75.596   10.622   71.577   14.567   80.158   15.521  162.090   16.632  171.522   16.746 -9.431580 23.60134 
1 1 1  -16   17   27 o  546.317   15.449  812.838   45.607   0.0000   0.0000  812.838   45.607  ?   ?   546.317   15.449      ?      ? 
1 1 1  -16   17   29 o  363.280   12.836  359.009   25.197   0.0000   0.0000  359.009   25.197  ?   ?   363.280   12.836      ?      ? 
1 1 1  -16   17   30 o  476.993   7.1221  617.095   18.349  591.759   25.604  643.843   26.308  466.919   10.148  487.067   9.9955 -20.14807 14.24410 
1 1 1  -16   17   31 o  143.651   9.4505   56.414   7.2726   54.859   10.945   57.644   9.7315  141.783   14.286  145.518   12.376 -3.734879 18.90109 
1 1 1  -16   17   32 o  387.102   6.5062  406.862   13.605  394.339   19.230  419.413   19.251  381.110   9.3375  393.095   9.0627 -11.98462 13.01237 
1 1 1  -16   17   33 o   72.785   15.527   14.973   6.6229   13.422   9.9634   16.201   8.8650   70.293   22.877   75.277   20.999 -4.984032 31.05345 
1 1 1  -16   17   34 o   48.291   14.447   0.6163   6.5435  -1.5256   9.5445   2.5158   8.9883   46.361   20.223   50.221   20.636 -3.859959 28.89311 
1 1 1  -16   17   35 o  172.502   8.0048   79.572   7.3877   93.095   11.459   69.954   9.6642  184.786   11.476  160.219   11.163 24.56635 16.00951 
1 1 1  -16   17   36 o  260.322   6.4931  183.742   9.0890  189.902   13.635  178.817   12.193  264.165   9.5519  256.478   8.7979 7.686768 12.98623 
1 1 1  -16   17   37 o  333.574   8.7554  302.703   15.782   0.0000   0.0000  302.703   15.782  ?   ?   333.574   8.7554      ?      ? 
1 1 1  -16   17   38 o  318.545   6.3158  276.112   10.827  277.846   16.078  274.675   14.644  319.353   9.3170  317.738   8.5292 1.615021 12.63152 
1 1 1  -16   17   39 f  164.970   8.2424   73.618   7.2948   82.580   11.164   66.941   9.6364  173.573   11.903  156.367   11.405 17.20558 16.48475 
1 1 1  -16   17   40 o  285.840   6.2488  221.478   9.5997  234.170   14.491  211.553   12.815  293.005   9.1525  278.675   8.5100 14.33066 12.49750 
1 1 1  -16   17   41 o  132.551   9.5880   50.312   6.6070   40.006   10.116   57.977   8.7250  119.785   15.629  145.318   11.111 -25.53328 19.17592 
1 1 1  -16   17   42 o  248.679   6.4340  168.314   8.5509  173.718   13.190  164.396   11.231  251.917   9.6891  245.441   8.4680 6.476074 12.86802 
1 1 1  -16   17   43 o  142.031   8.6630   55.686   6.5815   56.084   10.056   55.388   8.7047  142.254   13.082  141.807   11.360 0.4469147 17.32606 
1 1 1  -16   17   44 o  183.107   7.3956   92.114   7.1680   93.129   11.360   91.443   9.2397  183.609   11.450  182.604   9.3639 1.005005 14.79112 
1 1 1  -16   17   45 o  227.557   8.7139  141.883   10.715   0.0000   0.0000  141.883   10.715  ?   ?   227.557   8.7139      ?      ? 
1 1 1  -16   17   46 o  335.045   6.3342  308.311   11.412  307.251   16.976  309.185   15.415  334.250   9.3989  335.841   8.4941 -1.591339 12.66842 
1 1 1  -16   17   47 o  151.738   8.6012   63.529   7.0095   71.193   10.652   57.675   9.3090  159.646   12.348  143.831   11.977 15.81491 17.20237 
1 1 1  -16   17   48 o  214.738   6.9286  127.878   7.9807  122.576   11.879  132.240   10.775  210.342   10.451  219.135   9.0991 -8.793091 13.85718 
1 1 1  -16   17   49 o  238.397   6.7471  156.916   8.5938  158.798   13.206  155.534   11.318  239.234   10.216  237.559   8.8170 1.675125 13.49428 
1 1 1  -16   17   50 o  215.779   7.0536  130.275   8.1540  118.811   11.973  140.190   11.135  206.396   10.736  225.161   9.1521 -18.76524 14.10726 
1 1 1  -16   17   51 o   55.668   14.417   7.0794   6.3912  -2.0235   9.6618   14.162   8.5221   43.906   19.683   67.430   21.071 -23.52438 28.83465 
1 1 1  -16   17   52 o  328.152   6.5311  299.102   11.540  290.470   16.897  306.648   15.798  323.304   9.6716  332.999   8.7797 -9.695251 13.06230 
1 1 1  -16   17   53 o   53.270   15.007   6.4455   6.4262   7.2536   9.8986   5.8568   8.4488   55.327   22.040   51.213   20.374 4.113640 30.01452 
1 1 1  -16   17   54 o   95.648   13.614   27.590   6.8752   38.169   10.692   20.133   8.9770  112.551   17.581   78.745   20.790 33.80621 27.22725 
1 1 1  -16   17   55 o   60.478   15.694   11.621   6.7395   9.4690   10.794   12.996   8.6281   57.998   23.043   62.959   21.312 -4.961006 31.38746 
1 1 1  -16   17   56 o   74.391   18.689   19.858   9.6818   14.245   15.753   23.266   12.274   67.821   27.528   80.962   25.286 -13.14134 37.37837 
1 1 1  -16   17   57 o   50.328   16.407  -2.2713   9.9348  -1.5034   16.706  -2.6914   12.357   53.812   24.798   46.845   21.491 6.966423 32.81438 
1 1 1  -16   17   58 o   75.692   24.832   23.406   11.731   23.406   11.731   0.0000   0.0000   75.692   24.832  ?   ?       ?      ? 
1 1 1  -16   17   59 o   38.549   13.235  -9.9215   7.5112 -10.8063   14.513  -9.5977   8.7785   43.492   20.934   33.605   16.202 9.886612 26.47082 
1 1 1  -16   17   60 o   51.794   15.852   7.4589   7.7774   6.4955   14.464   7.8508   9.2244   52.865   23.858   50.723   20.881 2.142231 31.70486 
1 1 1  -16   18    1 o  520.174   7.6025  732.016   21.366  715.409   29.952  749.222   30.487  514.166   10.781  526.181   10.722 -12.01489 15.20499 
1 1 1  -16   18    2 o  332.345   8.8560  303.243   14.856  311.199   18.164  287.162   25.822  339.155   9.9109  325.534   14.680 13.62164 17.71205 
1 1 1  -16   18    3 o  593.693   8.2441  954.113   26.447  945.064   37.413  963.151   37.390  590.873   11.718  596.512   11.600 -5.638611 16.48810 
1 1 1  -16   18    4 o  897.677   11.243  2184.66   54.536  2170.10   76.878  2199.40   77.376  894.667   15.902  900.687   15.898 -6.019348 22.48609 
1 1 1  -16   18    6 o  127.389   12.137   46.006   7.7781   60.120   10.909   31.412   11.093  148.981   13.551  105.798   20.140 43.18331 24.27419 
1 1 1  -16   18    7 o  728.526   9.4426  1437.29   37.170  1417.86   52.146  1457.36   52.995  723.524   13.338  733.528   13.370 -10.00354 18.88528 
1 1 1  -16   18    8 o  632.891   8.5671  1082.49   29.267  1043.42   40.255  1126.30   42.626  620.810   12.000  644.971   12.231 -24.16028 17.13426 
1 1 1  -16   18    9 o  586.829   8.1025  932.210   25.693  925.484   36.347  938.928   36.323  584.709   11.504  588.950   11.413 -4.240417 16.20495 
1 1 1  -16   18   10 o  565.273   11.127  864.940   33.987   0.0000   0.0000  864.940   33.987  ?   ?   565.273   11.127      ?      ? 
1 1 1  -16   18   11 o  788.550   10.069  1683.33   42.868  1633.89   59.175  1737.94   62.186  776.404   14.105  800.696   14.373 -24.29254 20.13744 
1 1 1  -16   18   12 o  723.092   13.208  1416.89   51.608   0.0000   0.0000  1416.89   51.608  ?   ?   723.092   13.208      ?      ? 
1 1 1  -16   18   13 o  593.356   8.1450  953.174   26.111  931.806   36.562  975.416   37.302  586.570   11.535  600.143   11.503 -13.57324 16.29000 
1 1 1  -16   18   14 o  591.640   8.1646  948.185   26.098  931.466   36.996  964.745   36.820  586.432   11.675  596.848   11.417 -10.41638 16.32919 
1 1 1  -16   18   15 o  332.663   6.6803  299.421   12.001  301.102   17.295  297.859   16.668  333.555   9.5954  331.770   9.2971 1.784210 13.36064 
1 1 1  -16   18   16 o  248.798   9.7114  167.534   13.056   0.0000   0.0000  167.534   13.056  ?   ?   248.798   9.7114      ?      ? 
1 1 1  -16   18   17 o  501.377   10.286  680.586   27.868   0.0000   0.0000  680.586   27.868  ?   ?   501.377   10.286      ?      ? 
1 1 1  -16   18   18 o  552.358   7.7941  825.935   23.255  799.099   32.423  854.368   33.374  543.120   11.048  561.595   10.998 -18.47504 15.58828 
1 1 1  -16   18   19 o  195.215   8.1162  103.650   8.5060   99.836   12.640  106.808   11.499  191.881   12.191  198.549   10.718 -6.667923 16.23230 
1 1 1  -16   18   20 o  264.629   6.8786  190.201   9.8068  180.216   14.178  199.363   13.580  257.920   10.172  271.338   9.2617 -13.41766 13.75712 
1 1 1  -16   18   21 o  295.767   6.7821  237.459   10.804  215.377   15.284  259.512   15.274  281.960   10.031  309.575   9.1303 -27.61545 13.56425 
1 1 1  -16   18   22 o  554.581   15.441  836.487   46.272   0.0000   0.0000  836.487   46.272  ?   ?   554.581   15.441      ?      ? 
1 1 1  -16   18   23 o  459.662   9.7748  572.709   24.242  550.450   33.179  598.198   35.506  450.138   13.641  469.186   14.004 -19.04819 19.54964 
1 1 1  -16   18   24 o  182.004   11.352   90.205   11.159   89.324   15.517   91.149   16.060  181.102   15.856  182.906   16.249 -1.803635 22.70374 
1 1 1  -16   18   27 f  219.723   14.171  131.554   16.826   0.0000   0.0000  131.554   16.826  ?   ?   219.723   14.171      ?      ? 
1 1 1  -16   18   28 o  225.387   8.3130  134.159   9.8998  120.576   12.515  156.869   16.182  210.671   10.994  240.104   12.472 -29.43343 16.62591 
1 1 1  -16   18   29 o  240.717   7.1443  158.165   9.2336  138.878   13.142  176.972   12.977  226.066   10.758  255.367   9.4039 -29.30098 14.28854 
1 1 1  -16   18   30 o  157.536   8.9561   68.432   7.5355   59.649   11.013   76.163   10.333  147.792   13.791  167.280   11.431 -19.48845 17.91225 
1 1 1  -16   18   31 o   77.683   15.273   16.656   6.7537   23.006   10.209   11.715   9.0059   89.261   21.436   66.104   21.762 23.15697 30.54587 
1 1 1  -16   18   32 o  200.637   7.5568  109.309   8.1784  113.609   12.004  105.584   11.173  204.286   10.874  196.989   10.496 7.297180 15.11353 
1 1 1  -16   18   33 o  405.240   6.7041  446.589   14.653  443.386   21.344  449.445   20.153  403.785   9.7821  406.695   9.1701 -2.909149 13.40821 
1 1 1  -16   18   34 o  423.478   9.3732  487.817   21.449   0.0000   0.0000  487.817   21.449  ?   ?   423.478   9.3732      ?      ? 
1 1 1  -16   18   35 o  230.322   6.9263  145.322   8.5702  134.200   12.485  155.232   11.785  221.817   10.416  238.827   9.1321 -17.00986 13.85258 
1 1 1  -16   18   36 o  218.003   7.1177  130.190   8.3311  123.933   12.321  135.460   11.308  213.021   10.704  222.985   9.3845 -9.963440 14.23538 
1 1 1  -16   18   37 o  134.913   9.5122   49.356   6.8847   56.883   10.506   43.690   9.1147  143.789   13.521  126.038   13.383 17.75043 19.02434 
1 1 1  -16   18   38 o   53.397   14.398   4.8393   6.2231  -2.1520   9.3953   10.304   8.3066   44.851   19.798   61.942   20.911 -17.09081 28.79635 
1 1 1  -16   18   39 o  287.556   6.5203  226.447   10.071  219.068   14.945  232.585   13.630  283.067   9.7705  292.045   8.6367 -8.978424 13.04050 
1 1 1  -16   18   40 o  163.546   8.2472   73.441   7.1964   74.660   11.130   72.565   9.4336  164.482   12.522  162.610   10.736 1.872238 16.49449 
1 1 1  -16   18   41 o  103.630   11.575   29.940   6.2652   37.196   9.5637   24.485   8.2924  115.382   15.339   91.878   17.338 23.50363 23.14954 
1 1 1  -16   18   42 o  181.587   7.4983   89.525   7.2762   98.304   11.340   83.381   9.4868  188.903   11.109  174.272   10.074 14.63068 14.99653 
1 1 1  -16   18   43 o   53.539   14.642   5.5657   6.3088   0.0270   9.6942   9.6349   8.3092   47.375   20.525   59.703   20.888 -12.32824 29.28410 
1 1 1  -16   18   44 f   90.469   13.174   23.688   6.1511   28.385   9.7011   20.530   7.9545   97.784   19.045   83.154   18.207 14.62984 26.34774 
1 1 1  -16   18   45 o  240.478   6.6919  159.541   8.6298  156.476   12.955  161.986   11.571  238.100   10.069  242.855   8.8172 -4.754593 13.38383 
1 1 1  -16   18   46 o   76.085   12.858   18.504   6.3243   1.5761   9.9537   29.964   8.1898   49.327   21.075  102.843   14.737 -53.51663 25.71664 
1 1 1  -16   18   47 o   75.101   15.131   16.912   6.4518   21.921   9.9192   13.240   8.4940   83.887   21.714   66.315   21.079 17.57217 30.26208 
1 1 1  -16   18   48 o  107.816   13.010   39.751   6.8033   15.905   10.317   58.097   9.0495   71.541   23.280  144.091   11.623 -72.54952 26.01972 
1 1 1  -16   18   49 o  221.092   7.0921  136.333   8.4164  131.442   12.508  140.379   11.378  217.051   10.664  225.132   9.3525 -8.080856 14.18419 
1 1 1  -16   18   50 o  252.677   6.7946  177.845   9.1968  172.315   13.816  182.246   12.324  248.646   10.283  256.708   8.8846 -8.062332 13.58919 
1 1 1  -16   18   51 o  128.604   10.341   47.997   7.0606   45.722   10.870   49.657   9.2865  125.105   16.079  132.103   13.009 -6.997673 20.68280 
1 1 1  -16   18   52 o   54.149   14.834   5.8888   6.4202   12.869   9.8149   0.6679   8.4880   64.380   22.689   43.919   19.116 20.46099 29.66859 
1 1 1  -16   18   53 o   73.715   15.165   18.228   6.7180   11.919   10.049   23.326   9.0335   62.255   22.826   85.175   19.973 -22.92036 30.33060 
1 1 1  -16   18   54 o  109.916   12.370   36.842   7.1453   43.157   10.861   32.023   9.4875  119.023   16.887  100.809   18.081 18.21313 24.74050 
1 1 1  -16   18   55 o  158.911   13.593   81.262   10.910   66.667   17.633   90.315   13.888  142.539   22.893  175.284   14.662 -32.74550 27.18578 
1 1 1  -16   18   56 o   55.645   16.834 -10.0145   9.4521   25.766   17.139 -25.6532   11.331   79.536   29.690   31.755   15.876 47.78089 33.66846 
1 1 1  -16   18   57 o   35.931   12.434 -17.3727   8.5584  -5.7206   10.455 -41.0360   14.900   39.302   18.593   32.559   16.513 6.743240 24.86724 
1 1 1  -16   18   58 o   58.914   16.302   11.870   7.6437   4.9234   14.847   14.375   8.9160   54.291   24.365   63.536   21.664 -9.245789 32.60342 
1 1 1  -16   18   59 f   48.600   14.468   4.7681   7.4867 -13.5315   14.035   12.046   8.8511   39.961   19.541   57.239   21.342 -17.27760 28.93697 
1 1 1  -16   19    1 o  402.300   9.5329  451.723   18.309  410.586   34.610  467.709   21.575  388.882   16.470  415.719   9.6041 -26.83646 19.06576 
1 1 1  -16   19    2 o  418.128   6.9752  473.085   15.758  466.419   22.080  480.005   22.496  415.128   9.8432  421.127   9.8856 -5.999451 13.95042 
1 1 1  -16   19    3 o  492.084   15.280  656.982   40.631   0.0000   0.0000  656.982   40.631  ?   ?   492.084   15.280      ?      ? 
1 1 1  -16   19    4 o  179.820   8.8251   87.689   8.5580   80.931   12.057   94.550   12.149  172.814   12.911  186.826   12.034 -14.01180 17.65016 
1 1 1  -16   19    6 o  261.564   6.9991  185.321   9.8845  190.241   13.828  180.181   14.134  265.128   9.6521  258.000   10.138 7.127716 13.99823 
1 1 1  -16   19    8 o  201.961   8.2251  110.029   8.9397  125.020   13.063   96.823   12.261  214.864   11.251  189.058   12.001 25.80547 16.45029 
1 1 1  -16   19    9 o  599.649   8.2683  972.156   26.765  934.764   36.854  1013.89   38.934  587.481   11.609  611.818   11.777 -24.33746 16.53665 
1 1 1  -16   19   10 o  466.569   10.033  589.232   25.296   0.0000   0.0000  589.232   25.296  ?   ?   466.569   10.033      ?      ? 
1 1 1  -16   19   11 o  480.422   10.144  624.798   26.334   0.0000   0.0000  624.798   26.334  ?   ?   480.422   10.144      ?      ? 
1 1 1  -16   19   12 o  519.048   7.5678  726.657   21.179  686.661   28.805  773.720   31.247  503.576   10.586  534.521   10.818 -30.94476 15.13569 
1 1 1  -16   19   13 o  441.948   9.8626  528.797   23.553   0.0000   0.0000  528.797   23.553  ?   ?   441.948   9.8626      ?      ? 
1 1 1  -16   19   15 o  453.996   7.1565  557.301   17.528  574.649   25.677  542.165   23.984  460.577   10.317  447.414   9.9205 13.16293 14.31293 
1 1 1  -16   19   16 o  572.883   11.198  889.604   34.665   0.0000   0.0000  889.604   34.665  ?   ?   572.883   11.198      ?      ? 
1 1 1  -16   19   17 o  303.857   9.5768  250.065   15.725   0.0000   0.0000  250.065   15.725  ?   ?   303.857   9.5768      ?      ? 
1 1 1  -16   19   18 o  397.673   8.2163  419.354   16.766  399.958   20.479  458.784   29.198  384.240   9.8630  411.106   13.144 -26.86606 16.43267 
1 1 1  -16   19   19 o  268.765   9.1288  196.246   13.247  201.667   18.534  190.586   18.940  272.593   12.582  264.936   13.229 7.657471 18.25752 
1 1 1  -16   19   20 o  328.204   9.0034  291.084   15.921  323.874   23.354  262.613   21.762  345.420   12.512  310.989   12.950 34.43063 18.00671 
1 1 1  -16   19   21 o  112.327   16.373   36.028   9.6831   40.338   12.939   30.541   14.599  121.431   19.719  103.223   26.144 18.20787 32.74686 
1 1 1  -16   19   22 o  311.883   9.0171  264.102   15.185  279.054   21.796  250.000   21.167  320.477   12.586  303.290   12.916 17.18692 18.03411 
1 1 1  -16   19   23 o  446.632   13.934  543.018   33.628   0.0000   0.0000  543.018   33.628  ?   ?   446.632   13.934      ?      ? 
1 1 1  -16   19   24 o   70.153   20.794   3.7142   11.898   4.7770   23.319   3.3401   13.834   78.616   32.853   61.690   25.501 16.92646 41.58835 
1 1 1  -16   19   25 f  228.223   10.854  141.296   13.018  146.059   21.171  138.401   16.508  231.035   16.958  225.411   13.553 5.623825 21.70826 
1 1 1  -16   19   26 o  181.713   9.8188   91.155   9.4416   96.446   12.390   83.829   14.580  188.270   12.179  175.156   15.405 13.11478 19.63759 
1 1 1  -16   19   27 o  206.517   7.5467  115.275   8.3958  124.374   12.485  107.765   11.344  213.900   10.802  199.135   10.542 14.76500 15.09349 
1 1 1  -16   19   28 o  307.997   9.1426  257.572   15.216   0.0000   0.0000  257.572   15.216  ?   ?   307.997   9.1426      ?      ? 
1 1 1  -16   19   29 o  202.477   7.5924  111.348   8.2809  114.432   12.274  108.771   11.219  204.997   11.080  199.956   10.383 5.040237 15.18484 
1 1 1  -16   19   30 o  435.863   6.8722  516.443   16.173  515.465   23.328  517.347   22.442  435.413   9.9149  436.314   9.5186 -0.9017334 13.74443 
1 1 1  -16   19   31 o  204.775   7.6177  113.973   8.4055  117.156   12.429  111.290   11.410  207.356   11.093  202.195   10.443 5.161118 15.23537 
1 1 1  -16   19   32 o  156.928   8.9485   69.350   7.3506   56.576   11.189   79.048   9.7496  143.550   14.425  170.306   10.594 -26.75620 17.89702 
1 1 1  -16   19   33 o   53.961   15.065   4.9257   6.4753   4.9520   9.4803   4.9027   8.8654   54.613   21.628   53.310   20.977 1.302639 30.12990 
1 1 1  -16   19   34 f  370.284   6.5579  374.103   13.096  359.241   18.865  387.930   18.196  363.061   9.6156  377.507   8.9199 -14.44635 13.11585 
1 1 1  -16   19   35 o  181.333   8.0205   91.061   7.7483   81.659   11.585   98.672   10.423  172.532   12.426  190.134   10.144 -17.60272 16.04093 
1 1 1  -16   19   36 o  212.266   7.0448  122.948   8.0458  123.839   11.963  122.212   10.872  212.868   10.400  211.663   9.5057 1.204376 14.08963 
1 1 1  -16   19   37 o  139.096   9.4016   52.441   7.0017   61.187   10.814   46.129   9.1874  148.871   13.443  129.321   13.147 19.55022 18.80313 
1 1 1  -16   19   38 o  146.299   8.9451   59.505   6.9546   56.421   10.692   61.766   9.1564  142.679   13.868  149.919   11.303 -7.240295 17.89015 
1 1 1  -16   19   39 o   72.240   15.186   15.409   6.3469   14.021   9.8242   16.403   8.3152   69.971   22.714   74.509   20.162 -4.537926 30.37161 
1 1 1  -16   19   40 o  100.934   12.760   30.257   6.5822   24.666   10.131   34.342   8.6589   90.879   21.044  110.989   14.438 -20.11032 25.52044 
1 1 1  -16   19   41 o  110.123   11.898   33.544   6.7895   44.373   10.721   26.293   8.7730  125.476   15.812   94.771   17.784 30.70427 23.79697 
1 1 1  -16   19   42 o  165.733   8.2437   75.779   7.3188   78.404   11.183   73.812   9.6797  167.996   12.319  163.470   10.958 4.525818 16.48735 
1 1 1  -16   19   43 o  142.981   9.1232   57.125   6.9870   56.683   10.571   57.467   9.3107  142.173   13.760  143.788   11.983 -1.615082 18.24631 
1 1 1  -16   19   44 o  181.001   7.8017   90.001   7.5637   97.512   11.650   84.527   9.9448  187.254   11.513  174.748   10.532 12.50639 15.60341 
1 1 1  -16   19   45 o  164.997   8.1338   75.221   7.1742   79.525   11.101   72.134   9.4010  168.728   12.176  161.266   10.788 7.461929 16.26768 
1 1 1  -16   19   46 o   76.863   15.029   18.334   6.4234   18.696   9.6571   18.047   8.6022   77.301   22.042   76.425   20.435 0.8760834 30.05735 
1 1 1  -16   19   47 o  201.080   7.3670  113.298   7.9218  105.387   11.819  119.751   10.675  194.172   11.264  207.988   9.4978 -13.81622 14.73406 
1 1 1  -16   19   48 o  119.148   11.116   41.668   7.0439   36.542   10.436   45.958   9.5468  111.458   17.327  126.837   13.929 -15.37900 22.23137 
1 1 1  -16   19   49 o   68.295   15.646   14.258   6.5737   17.240   10.004   11.991   8.7209   73.495   22.807   63.095   21.426 10.40002 31.29292 
1 1 1  -16   19   50 o   65.666   13.875   8.2142   6.6501   27.660   10.498  -4.8184   8.5944   92.941   21.352   38.390   17.724 54.55122 27.75017 
1 1 1  -16   19   51 o  177.799   8.0113   88.980   7.5689   90.879   11.868   87.679   9.8268  178.714   12.289  176.884   10.281 1.829880 16.02265 
1 1 1  -16   19   52 o   84.176   14.903   22.761   6.6897   27.973   10.559   19.266   8.6464   91.778   21.643   76.573   20.493 15.20583 29.80542 
1 1 1  -16   19   53 o   81.439   17.635   24.633   8.2633   19.002   17.369   26.280   9.3945   72.926   29.148   89.953   19.859 -17.02711 35.26994 
1 1 1  -16   19   54 o  148.197   15.359   73.835   10.796   60.428   18.320   80.968   13.362  130.619   26.852  165.776   14.917 -35.15736 30.71725 
1 1 1  -16   19   55 o   87.197   19.175   30.761   9.9431   28.333   17.759   31.869   12.000   80.453   30.185   93.941   23.655 -13.48808 38.34937 
1 1 1  -16   19   56 o   43.576   14.419  -4.9507   8.7777   1.7142   11.342 -14.9054   13.861   47.156   21.218   39.996   19.529 7.160042 28.83705 
1 1 1  -16   19   57 o  156.712   9.7377   74.630   7.9874   71.997   12.773   76.321   10.236  152.164   15.534  161.259   11.746 -9.094666 19.47543 
1 1 1  -16   20    2 o  536.431   17.006  782.432   49.295  782.432   49.295   0.0000   0.0000  536.431   17.006  ?   ?       ?      ? 
1 1 1  -16   20    4 o  461.587   9.3301  562.299   21.151  541.716   24.921  615.315   39.996  447.240   10.312  475.935   15.552 -28.69455 18.66018 
1 1 1  -16   20    5 o  195.148   11.820  103.221   12.464  103.221   12.464   0.0000   0.0000  195.148   11.820  ?   ?       ?      ? 
1 1 1  -16   20    6 o  146.171   9.8223   57.978   7.7549   57.698   10.799   58.276   11.144  145.815   13.705  146.526   14.074 -0.7109833 19.64468 
1 1 1  -16   20    8 o  273.226   9.9272  202.189   14.657   0.0000   0.0000  202.189   14.657  ?   ?   273.226   9.9272      ?      ? 
1 1 1  -16   20    9 o  237.050   10.303  152.232   13.197   0.0000   0.0000  152.232   13.197  ?   ?   237.050   10.303      ?      ? 
1 1 1  -16   20   12 o  278.924   6.9853  210.473   10.521  218.652   15.220  202.988   14.561  284.104   9.9139  273.744   9.8435 10.36014 13.97065 
1 1 1  -16   20   13 o  117.827   13.921   38.174   8.3630   37.218   10.517   39.820   13.793  116.927   16.645  118.728   22.318 -1.801575 27.84129 
1 1 1  -16   20   14 o  248.974   8.4830  162.594   11.050  147.599   13.738  190.068   18.595  233.342   10.896  264.606   13.005 -31.26465 16.96603 
1 1 1  -16   20   15 o  682.050   12.638  1268.47   46.577  1268.69   65.828  1268.24   65.911  682.115   17.859  681.985   17.885 0.1301880 25.27517 
1 1 1  -16   20   16 o  553.297   10.861  831.966   32.447  859.234   47.034  807.207   44.819  561.903   15.491  544.692   15.227 17.21143 21.72147 
1 1 1  -16   20   17 o  257.000   9.2033  179.316   12.777  175.023   17.806  183.874   18.345  253.834   12.982  260.167   13.049 -6.332138 18.40661 
1 1 1  -16   20   18 o  129.304   14.610   46.036   9.8464   36.644   13.275   57.523   14.681  113.575   22.426  145.033   18.733 -31.45829 29.22055 
1 1 1  -16   20   19 o  371.330   9.1944  374.284   18.427  362.838   25.325  387.162   26.863  365.338   12.828  377.322   13.175 -11.98413 18.38881 
1 1 1  -16   20   20 o  720.555   11.540  1403.13   41.845  1458.11   74.822  1378.11   50.477  729.375   18.984  711.734   13.125 17.64032 23.07929 
1 1 1  -16   20   21 o  147.646   16.727   70.000   10.127   47.230   21.067   76.843   11.549  127.223   30.942  168.070   12.717 -40.84798 33.45327 
1 1 1  -16   20   22 o  430.751   10.195  507.425   23.659  476.126   34.029  536.712   32.917  417.670   15.078  443.832   13.725 -26.16138 20.38902 
1 1 1  -16   20   23 o  129.720   18.444   44.060   11.708   62.005   21.651   36.644   13.919  146.449   28.384  112.990   23.560 33.45856 36.88808 
1 1 1  -16   20   24 o  242.213   8.7251  161.683   11.127  169.249   14.412  150.518   17.507  249.549   10.688  234.877   13.794 14.67195 17.45013 
1 1 1  -16   20   25 o   60.765   15.956   7.1114   7.3277   1.1402   10.446   12.897   10.282   51.818   21.841   69.713   23.267 -17.89477 31.91177 
1 1 1  -16   20   26 o  332.053   9.1250  299.462   16.373   0.0000   0.0000  299.462   16.373  ?   ?   332.053   9.1250      ?      ? 
1 1 1  -16   20   27 o  353.220   6.7181  339.440   12.790  332.962   18.669  345.169   17.557  349.959   9.8720  356.480   9.1146 -6.520721 13.43622 
1 1 1  -16   20   28 o  185.660   8.1222   94.283   8.1065   83.577   11.489  104.897   11.440  175.031   12.147  196.289   10.785 -21.25879 16.24431 
1 1 1  -16   20   29 o   90.022   14.195   23.789   6.9276   15.834   10.272   30.425   9.3824   74.956   23.087  105.087   16.523 -30.13171 28.39019 
1 1 1  -16   20   30 o  133.615   10.431   48.568   7.4305   60.931   11.089   38.492   10.011  149.037   13.769  118.193   15.674 30.84367 20.86269 
1 1 1  -16   20   31 o   83.454   15.098   19.881   7.1814   29.562   10.444   11.197   9.8909  101.246   19.799   65.663   22.799 35.58369 30.19600 
1 1 1  -16   20   32 o  192.156   7.9370  100.984   8.1849  100.714   12.304  101.198   10.962  191.791   11.872  192.522   10.538 -0.7306061 15.87400 
1 1 1  -16   20   33 o   87.143   14.853   22.080   7.1412   31.199   10.328   13.725   9.8851  104.116   19.060   70.169   22.785 33.94641 29.70521 
1 1 1  -16   20   34 o  478.427   7.2050  625.475   18.617  619.037   26.680  631.585   25.991  475.931   10.374  480.923   10.001 -4.992706 14.40992 
1 1 1  -16   20   35 o  150.107   9.0945   62.396   7.2813   60.011   11.105   64.195   9.6438  147.320   13.950  152.894   11.673 -5.574478 18.18908 
1 1 1  -16   20   36 o   59.295   14.306   7.7580   6.4764  -3.7880   9.9425   16.268   8.5357   44.267   19.897   74.323   20.560 -30.05578 28.61143 
1 1 1  -16   20   37 o  191.941   7.5749  100.048   7.7956  109.848   11.963   92.815   10.277  199.917   11.074  183.966   10.338 15.95058 15.14977 
1 1 1  -16   20   38 o  148.482   9.3830   63.432   7.2302   48.875   10.959   74.651   9.6210  132.181   15.343  164.783   10.805 -32.60202 18.76604 
1 1 1  -16   20   39 o  246.480   6.9331  166.579   9.1673  168.490   13.852  165.090   12.229  247.510   10.357  245.449   9.2199 2.061005 13.86613 
1 1 1  -16   20   40 o  106.827   12.636   33.467   6.9369   30.999   10.812   35.194   9.0436  101.807   20.365  111.848   14.963 -10.04040 25.27123 
1 1 1  -16   20   41 o   58.502   14.222   8.0151   6.4585  -4.4920   10.318   16.073   8.2818   43.944   19.959   73.061   20.267 -29.11716 28.44493 
1 1 1  -16   20   42 o   92.421   14.284   25.700   6.8505   27.142   10.693   24.696   8.9221   94.044   21.508   90.797   18.803 3.247231 28.56857 
1 1 1  -16   20   43 o  240.538   6.9641  160.801   8.9846  146.982   13.136  172.948   12.316  230.383   10.552  250.693   9.0916 -20.30960 13.92820 
1 1 1  -16   20   44 o  154.047   9.0063   66.903   7.3891   64.806   11.339   68.451   9.7417  151.406   13.859  156.688   11.506 -5.282074 18.01264 
1 1 1  -16   20   45 o   76.137   13.680   18.435   6.7213   3.7995   10.459   28.734   8.7729   52.567   21.987   99.707   16.283 -47.14013 27.35994 
1 1 1  -16   20   46 o   72.980   15.822   16.991   6.9378   13.571   10.495   19.645   9.2463   67.034   23.474   78.925   21.221 -11.89102 31.64388 
1 1 1  -16   20   47 o  149.483   9.3132   63.940   7.3524   61.187   11.525   65.830   9.5477  145.895   14.618  153.071   11.543 -7.175949 18.62631 
1 1 1  -16   20   48 o  103.445   13.310   33.341   7.0732   26.718   10.677   38.521   9.4423   91.445   21.897  115.446   15.136 -24.00078 26.61932 
1 1 1  -16   20   49 o   96.272   13.626   28.780   6.8372   27.872   10.672   29.412   8.9047   92.820   21.671   99.724   16.525 -6.904449 27.25256 
1 1 1  -16   20   50 o   90.316   14.372   26.019   6.7766   26.265   10.478   25.841   8.8850   89.643   21.834   90.988   18.696 -1.345177 28.74464 
1 1 1  -16   20   51 o   43.159   13.725  -1.5835   6.8304  -6.3736   10.461   1.9758   9.0178   40.538   18.996   45.780   19.815 -5.241768 27.44908 
1 1 1  -16   20   52 f   99.458   17.435   38.932   10.253   19.259   17.973   48.423   12.484   73.724   29.586  125.191   18.455 -51.46667 34.86959 
1 1 1  -16   20   53 o   60.344   18.062   8.0145   9.6130   10.662   17.033   6.7770   11.645   64.843   27.634   55.845   23.266 8.997688 36.12367 
1 1 1  -16   20   54 o   41.083   13.757  -6.6762   8.1740  -9.8853   11.608  -3.5203   11.512   39.013   18.764   43.154   20.125 -4.141022 27.51493 
1 1 1  -16   20   55 o  131.338   14.957   57.002   9.8832   52.211   12.155   66.351   16.978  127.835   17.596  134.841   24.191 -7.006454 29.91318 
1 1 1  -16   20   56 o  112.349   17.099   40.813   10.381   0.0000   0.0000   40.813   10.381  ?   ?   112.349   17.099      ?      ? 
1 1 1  -16   21    1 o  285.636   6.9160  221.004   10.669  230.643   15.187  211.610   14.992  291.797   9.6317  279.475   9.9275 12.32135 13.83206 
1 1 1  -16   21    3 o  343.942   16.607  322.072   30.865  322.072   30.865   0.0000   0.0000  343.942   16.607  ?   ?       ?      ? 
1 1 1  -16   21    4 o  178.140   15.723   95.965   11.003  100.870   12.277   75.946   24.804  192.846   11.782  163.434   29.155 29.41174 31.44540 
1 1 1  -16   21    6 o  319.882   12.562  277.703   21.714   0.0000   0.0000  277.703   21.714  ?   ?   319.882   12.562      ?      ? 
1 1 1  -16   21    7 o  202.644   9.6413  111.552   10.548  111.757   14.611  111.329   15.242  202.863   13.329  202.426   13.934 0.4365234 19.28267 
1 1 1  -16   21    8 o  357.048   8.7665  345.145   16.860  336.036   22.827  356.081   25.011  351.926   12.003  362.169   12.780 -10.24310 17.53300 
1 1 1  -16   21    9 o  465.394   9.7708  587.881   24.552  573.198   33.913  604.054   35.593  459.323   13.663  471.465   13.971 -12.14145 19.54160 
1 1 1  -16   21   10 f   80.704   18.474   17.163   9.2430   13.784   12.612   21.083   13.586   74.285   25.748   87.122   26.498 -12.83700 36.94748 
1 1 1  -16   21   11 o  225.028   9.7260  137.505   11.810  135.293   16.222  140.000   17.227  223.133   13.454  226.923   14.049 -3.789917 19.45191 
1 1 1  -16   21   12 o  510.739   10.331  709.713   28.510  703.378   40.057  716.216   40.588  508.437   14.580  513.041   14.640 -4.604004 20.66201 
1 1 1  -16   21   13 o  272.503   9.1156  201.803   13.423  202.387   18.955  201.216   19.010  272.903   12.854  272.103   12.929 0.8000183 18.23130 
1 1 1  -16   21   14 o  288.125   9.0074  225.254   14.011  213.559   19.379  238.063   20.281  280.295   12.795  295.956   12.682 -15.66016 18.01471 
1 1 1  -16   21   15 o  105.719   14.737   32.483   8.1517   21.491   11.855   42.341   11.227   86.928   24.296  124.510   16.687 -37.58281 29.47440 
1 1 1  -16   21   16 f  183.071   8.9736   93.503   8.6354   71.916   12.601  112.617   11.857  162.464   14.354  203.677   10.774 -41.21274 17.94719 
1 1 1  -16   21   17 o  259.793   10.378  183.191   14.569   0.0000   0.0000  183.191   14.569  ?   ?   259.793   10.378      ?      ? 
1 1 1  -16   21   18 o  322.031   9.5161  281.320   16.559   0.0000   0.0000  281.320   16.559  ?   ?   322.031   9.5161      ?      ? 
1 1 1  -16   21   19 o  173.900   16.146   98.380   10.824   64.505   23.499  107.503   12.194  148.928   30.233  198.873   11.347 -49.94443 32.29203 
1 1 1  -16   21   20 o   75.198   20.944   9.7843   12.588   3.7455   19.778   13.896   16.321   72.099   30.203   78.297   29.023 -6.197975 41.88749 
1 1 1  -16   21   21 o  122.661   19.426   42.661   12.166   48.446   20.384   39.459   15.164  128.448   29.924  116.873   24.779 11.57513 38.85156 
1 1 1  -16   21   22 o  423.315   13.837  489.640   31.651   0.0000   0.0000  489.640   31.651  ?   ?   423.315   13.837      ?      ? 
1 1 1  -16   21   23 o  255.990   7.1743  179.267   9.8626  164.539   14.363  192.410   13.567  245.869   10.810  266.112   9.4348 -20.24246 14.34854 
1 1 1  -16   21   24 o   64.966   15.437   9.1577   7.1563   18.677   10.188  -0.1148   10.055   80.642   22.517   49.291   21.124 31.35134 30.87442 
1 1 1  -16   21   25 o  235.179   7.3527  150.458   9.2682  150.776   14.033  150.211   12.343  235.296   11.037  235.063   9.7174 0.2321320 14.70538 
1 1 1  -16   21   26 o  394.267   9.4116  422.611   20.051   0.0000   0.0000  422.611   20.051  ?   ?   394.267   9.4116      ?      ? 
1 1 1  -16   21   27 f  243.058   7.1533  161.076   9.3796  150.762   13.283  171.334   13.247  235.224   10.450  250.892   9.7708 -15.66789 14.30654 
1 1 1  -16   21   28 o  161.546   9.0631   71.321   7.9005   76.515   11.491   66.666   10.880  167.124   12.724  155.967   12.909 11.15741 18.12612 
1 1 1  -16   21   29 o  123.733   10.895   42.028   7.2034   51.386   10.611   34.029   9.8102  136.608   14.375  110.857   16.377 25.75105 21.79063 
1 1 1  -16   21   30 o  103.615   13.504   30.088   7.3437   37.772   11.041   23.992   9.8343  116.515   17.537   90.715   20.540 25.80005 27.00774 
1 1 1  -16   21   31 o  236.927   7.2832  153.452   9.3049  150.797   13.537  155.830   12.811  234.890   10.665  238.963   9.9213 -4.072342 14.56647 
1 1 1  -16   21   32 f  249.337   6.9017  169.463   9.2592  172.524   13.798  166.956   12.489  251.273   10.162  247.400   9.3416 3.872986 13.80339 
1 1 1  -16   21   33 o   57.988   15.747   7.0820   6.9013   6.2275   10.550   7.7211   9.1241   57.977   22.862   57.999   21.660 -0.2183533E-01 31.49316 
1 1 1  -16   21   34 o  107.557   12.068   32.370   7.0019   34.662   10.260   30.372   9.5794  111.103   17.090  104.011   17.044 7.091492 24.13620 
1 1 1  -16   21   35 o   50.359   14.555   2.6951   6.5184  -2.5452   9.8455   6.7848   8.6976   45.236   20.102   55.482   21.055 -10.24619 29.10995 
1 1 1  -16   21   36 o  269.313   6.7698  199.520   9.7925  189.312   14.435  208.222   13.328  262.669   10.170  275.957   8.9380 -13.28772 13.53961 
1 1 1  -16   21   37 o  158.523   8.8406   71.403   7.3721   57.809   10.990   82.525   9.9406  143.899   14.133  173.148   10.624 -29.24876 17.68113 
1 1 1  -16   21   38 o   62.072   15.674   10.340   6.6942   7.6177   10.455   12.232   8.7147   58.983   22.903   65.160   21.405 -6.176758 31.34837 
1 1 1  -16   21   39 o  173.185   8.2568   83.291   7.6774   81.834   11.463   84.477   10.339  171.540   12.366  174.829   10.944 -3.289276 16.51355 
1 1 1  -16   21   40 o  117.128   11.615   39.291   7.2876   38.278   10.949   40.095   9.7645  115.312   17.572  118.943   15.192 -3.631683 23.22902 
1 1 1  -16   21   41 o  244.606   9.0500  164.607   11.962   0.0000   0.0000  164.607   11.962  ?   ?   244.606   9.0500      ?      ? 
1 1 1  -16   21   42 o  159.122   8.7120   70.152   7.4091   75.455   11.506   66.395   9.6842  163.904   12.991  154.341   11.612 9.562622 17.42390 
1 1 1  -16   21   43 o   55.065   14.899   5.9818   6.7834  -2.3306   10.207   12.557   9.0782   45.190   20.247   64.939   21.861 -19.74843 29.79710 
1 1 1  -16   21   44 o  165.272   8.8743   76.661   7.8688   79.879   11.953   74.199   10.454  167.971   13.169  162.572   11.900 5.399094 17.74867 
1 1 1  -16   21   45 o   67.180   15.881   13.925   6.7335   13.933   10.333   13.920   8.8768   67.376   23.309   66.984   21.576 0.3919067 31.76193 
1 1 1  -16   21   46 o  132.820   10.247   49.776   7.2894   57.861   11.240   43.907   9.5762  141.878   14.661  123.762   14.319 18.11548 20.49361 
1 1 1  -16   21   47 o   83.798   14.605   21.070   6.9639   35.327   10.794   10.903   9.1148  106.787   19.421   60.810   21.818 45.97697 29.20936 
1 1 1  -16   21   48 f   78.125   15.919   20.128   7.0845   19.553   10.435   20.620   9.6490   76.779   23.195   79.472   21.809 -2.692696 31.83733 
1 1 1  -16   21   49 o   41.220   13.440  -4.8182   6.8376  -1.0231   10.646  -7.4830   8.9208   45.951   20.626   36.489   17.235 9.462265 26.87950 
1 1 1  -16   21   50 o   57.949   16.918   8.7367   8.1764   0.8255   17.526   10.938   9.2440   56.575   25.818   59.324   21.871 -2.748894 33.83691 
1 1 1  -16   21   51 o   58.119   17.952   4.0076   9.4892   12.773   18.410   0.8365   11.073   67.785   28.804   48.453   21.435 19.33211 35.90456 
1 1 1  -16   21   52 o   43.813   14.892 -10.0763   9.3210 -15.7365   17.866  -7.9595   10.926   47.408   22.919   40.218   19.021 7.190037 29.78390 
1 1 1  -16   21   53 o   38.149   12.837  -6.7969   7.1446  -4.3015   10.894  -8.6800   9.4640   41.038   19.279   35.260   16.955 5.778049 25.67394 
1 1 1  -16   21   54 o   45.716   14.996  -3.4988   9.0873   2.4305   11.310 -14.2996   15.264   48.474   21.543   42.958   20.866 5.515900 29.99134 
1 1 1  -16   21   55 o   59.451   17.547   11.525   8.9089   6.5747   10.871   21.646   15.546   50.628   21.835   68.274   27.474 -17.64624 35.09370 
1 1 1  -16   22    1 f  198.412   9.4166  106.941   10.080  115.586   14.508   98.874   14.016  206.183   13.022  190.641   13.606 15.54185 18.83316 
1 1 1  -16   22    2 o  392.496   8.9857  418.128   19.044  436.712   27.552  401.126   26.353  400.833   12.720  384.159   12.695 16.67340 17.97142 
1 1 1  -16   22    3 o  442.527   13.419  532.658   32.087   0.0000   0.0000  532.658   32.087  ?   ?   442.527   13.419      ?      ? 
1 1 1  -16   22    4 o  248.296   12.621  167.568   16.934   0.0000   0.0000  167.568   16.934  ?   ?   248.296   12.621      ?      ? 
1 1 1  -16   22    5 o  241.421   12.600  158.423   16.438  158.423   16.438   0.0000   0.0000  241.421   12.600  ?   ?       ?      ? 
1 1 1  -16   22    6 o  268.446   12.273  195.833   17.803  195.833   17.803   0.0000   0.0000  268.446   12.273  ?   ?       ?      ? 
1 1 1  -16   22    7 o  414.759   8.1678  467.828   17.661  464.865   29.035  469.568   22.250  413.428   12.997  416.090   9.8959 -2.662018 16.33554 
1 1 1  -16   22    8 o  345.247   7.9052  314.572   14.150  355.405   24.228  293.432   17.433  361.575   12.400  328.919   9.8081 32.65607 15.81030 
1 1 1  -16   22    9 o  495.217   7.6114  664.775   20.352  632.912   28.201  699.407   29.401  482.842   10.809  507.593   10.719 -24.75101 15.22275 
1 1 1  -16   22   10 o  424.234   10.092  488.332   23.134   0.0000   0.0000  488.332   23.134  ?   ?   424.234   10.092      ?      ? 
1 1 1  -16   22   11 o  192.133   11.889  100.342   12.344   0.0000   0.0000  100.342   12.344  ?   ?   192.133   11.889      ?      ? 
1 1 1  -16   22   12 o  168.652   9.5329   77.304   8.6784   81.171   12.629   73.844   11.945  172.635   13.538  164.670   13.425 7.964752 19.06578 
1 1 1  -16   22   13 o  240.115   10.937  156.620   14.191   0.0000   0.0000  156.620   14.191  ?   ?   240.115   10.937      ?      ? 
1 1 1  -16   22   14 o  435.329   9.9353  514.402   23.371   0.0000   0.0000  514.402   23.371  ?   ?   435.329   9.9353      ?      ? 
1 1 1  -16   22   15 o  432.704   9.8843  508.294   23.111   0.0000   0.0000  508.294   23.111  ?   ?   432.704   9.8843      ?      ? 
1 1 1  -16   22   16 o  300.513   9.9177  245.239   16.105   0.0000   0.0000  245.239   16.105  ?   ?   300.513   9.9177      ?      ? 
1 1 1  -16   22   17 o  157.785   16.203   67.123   13.604   83.356   21.567   56.396   17.531  173.122   23.054  142.449   22.775 30.67313 32.40678 
1 1 1  -16   22   18 o  176.340   15.194   82.863   14.185  107.703   22.864   67.320   18.086  196.963   21.482  155.717   21.494 41.24603 30.38864 
1 1 1  -16   22   19 o  357.829   10.669  354.123   20.432  315.540   29.867  388.063   28.013  338.914   16.309  376.744   13.760 -37.83051 21.33798 
1 1 1  -16   22   20 o  270.162   10.092  198.488   14.733   0.0000   0.0000  198.488   14.733  ?   ?   270.162   10.092      ?      ? 
1 1 1  -16   22   21 o   53.220   15.423   2.2040   7.3199  -3.1282   10.725   6.8534   10.015   47.566   21.066   58.873   22.533 -11.30703 30.84671 
1 1 1  -16   22   22 o  196.626   8.2479  105.413   8.7577  100.487   12.317  110.449   12.455  191.948   11.875  201.304   11.450 -9.356262 16.49575 
1 1 1  -16   22   23 o  165.702   9.0328   75.057   8.0865   73.136   11.390   77.008   11.483  163.548   12.888  167.856   12.660 -4.308609 18.06565 
1 1 1  -16   22   24 o  139.720   10.418   53.649   7.8650   54.094   11.112   53.202   11.134  140.313   14.655  139.128   14.810 1.185318 20.83511 
1 1 1  -16   22   25 o   84.407   15.400   20.960   7.2246   15.151   10.455   26.270   9.9950   73.505   23.387   95.309   20.043 -21.80344 30.80074 
1 1 1  -16   22   26 o  219.139   7.6413  131.394   9.0291  125.996   13.024  136.388   12.529  214.706   11.226  223.573   10.370 -8.867401 15.28269 
1 1 1  -16   22   27 o  125.592   11.088   43.725   7.5033   41.837   10.872   45.442   10.368  122.866   16.375  128.318   14.953 -5.451889 22.17539 
1 1 1  -16   22   28 o  220.949   10.243  133.286   12.229   0.0000   0.0000  133.286   12.229  ?   ?   220.949   10.243      ?      ? 
1 1 1  -16   22   29 o   81.408   15.112   19.313   6.7770   23.001   9.8314   15.973   9.3545   88.570   20.882   74.245   21.851 14.32496 30.22481 
1 1 1  -16   22   30 o  120.627   11.313   40.255   7.3532   44.081   10.885   37.043   9.9726  125.868   16.004  115.386   15.994 10.48235 22.62654 
1 1 1  -16   22   31 o  134.461   10.197   49.327   7.3428   59.229   11.191   41.842   9.7302  146.174   14.168  122.748   14.670 23.42601 20.39429 
1 1 1  -16   22   32 o   79.230   15.410   18.795   6.9370   14.207   10.124   22.854   9.5240   70.593   23.065   87.868   20.443 -17.27576 30.82100 
1 1 1  -16   22   33 o  237.016   7.1354  152.814   9.1030  169.147   13.604  139.570   12.250  248.381   10.136  225.652   10.046 22.72939 14.27085 
1 1 1  -16   22   34 o  107.083   13.216   34.589   7.1806   23.038   10.498   44.746   9.8435   87.469   22.179  126.697   14.378 -39.22843 26.43163 
1 1 1  -16   22   35 o  264.062   6.9726  192.203   9.9091  180.759   14.381  202.549   13.673  256.317   10.383  271.806   9.3094 -15.48984 13.94521 
1 1 1  -16   22   36 o   93.873   14.318   25.869   6.9612   30.063   10.965   23.037   9.0096   99.948   20.972   87.799   19.498 12.14950 28.63546 
1 1 1  -16   22   37 o   40.964   13.184  -4.6116   6.4596  -7.5590   9.5381  -2.1143   8.7795   39.308   18.327   42.620   18.959 -3.311466 26.36863 
1 1 1  -16   22   38 o  301.845   8.9228  250.322   14.554   0.0000   0.0000  250.322   14.554  ?   ?   301.845   8.9228      ?      ? 
1 1 1  -16   22   39 o   40.347   13.020  -5.2247   6.4714 -10.8067   9.7364  -0.8072   8.6615   37.102   17.665   43.591   19.133 -6.488773 26.04061 
1 1 1  -16   22   40 o  104.074   12.742   32.113   6.8745   30.333   10.545   33.429   9.0659   99.894   20.229  108.253   15.498 -8.359642 25.48312 
1 1 1  -16   22   41 o   43.190   13.734  -3.4785   6.8731  -8.5715   10.176   0.7933   9.3200   39.644   18.627   46.736   20.186 -7.091637 27.46760 
1 1 1  -16   22   42 o   74.294   14.999   15.661   6.9725   28.208   10.553   5.9387   9.2890   95.103   21.087   53.485   21.337 41.61866 29.99858 
1 1 1  -16   22   43 o  109.929   12.573   34.503   7.1097   48.324   11.320   25.499   9.1366  128.837   16.259   91.020   19.181 37.81748 25.14542 
1 1 1  -16   22   44 o   58.216   15.503   8.2557   7.0756   1.4483   10.531   13.857   9.5528   49.457   21.410   66.975   22.426 -17.51830 31.00501 
1 1 1  -16   22   45 o  106.017   13.289   33.432   7.3950   39.101   11.497   29.432   9.6582  114.247   18.623   97.787   18.962 16.45978 26.57755 
1 1 1  -16   22   46 o  125.182   11.066   46.053   7.3647   45.384   11.395   46.534   9.6513  123.454   17.081  126.910   14.073 -3.456619 22.13218 
1 1 1  -16   22   47 o  139.020   10.474   55.885   7.8297   63.233   11.747   50.011   10.503  147.194   14.769  130.846   14.855 16.34756 20.94720 
1 1 1  -16   22   48 f   78.221   15.968   21.386   7.2620   17.260   10.936   24.641   9.7129   70.506   23.993   85.937   21.077 -15.43089 31.93534 
1 1 1  -16   22   49 o   58.501   18.274   3.5205   10.185   12.923   19.344  -0.0855   11.979   68.092   29.244   48.911   21.923 19.18103 36.54883 
1 1 1  -16   22   50 o   75.433   19.956   13.746   10.319   39.054   20.112   4.7027   12.022   96.903   32.539   53.963   23.112 42.93948 39.91206 
1 1 1  -16   22   51 o   39.643   13.264 -12.3632   7.9340   2.6873   11.431 -26.3514   11.021   48.848   21.686   30.437   15.280 18.41086 26.52840 
1 1 1  -16   22   52 o   56.214   15.403   6.6152   7.2623   20.525   11.508  -2.5894   9.3617   72.265   24.613   40.162   18.527 32.10315 30.80652 
1 1 1  -16   22   53 o  114.223   17.122   49.553   9.9624   51.914   12.374   45.203   16.797  126.255   18.137  102.191   29.047 24.06356 34.24433 
1 1 1  -16   22   54 o   53.512   16.723   7.9154   9.1165   7.4277   11.097   8.9279   15.989   51.432   22.121   55.591   25.087 -4.159485 33.44651 
1 1 1  -16   23    1 o   92.457   14.288   24.453   7.2617   35.740   10.310   13.341   10.230  114.256   16.699   70.658   23.190 43.59780 28.57646 
1 1 1  -16   23    2 o  151.810   9.9619   62.811   8.1609   67.490   11.705   58.385   11.384  157.339   13.767  146.281   14.402 11.05894 19.92371 
1 1 1  -16   23    3 o   94.737   13.609   24.752   7.6130   49.113   11.210   3.8986   10.372  134.060   15.475   55.414   22.391 78.64643 27.21793 
1 1 1  -16   23    4 o  265.146   12.536  218.176   14.028  151.667   29.068  238.371   16.017  233.976   22.991  296.317   10.003 -62.34105 25.07259 
1 1 1  -16   23    5 o  362.040   17.229  359.234   33.707  359.234   33.707   0.0000   0.0000  362.040   17.229  ?   ?       ?      ? 
1 1 1  -16   23    6 f  168.974   12.958   76.375   10.322   74.310   11.899   82.658   20.751  165.122   13.336  172.826   22.220 -7.704269 25.91504 
1 1 1  -16   23    7 o  392.125   9.2157  411.601   17.845  401.203   21.166  437.162   33.187  384.353   10.191  399.898   15.358 -15.54572 18.43141 
1 1 1  -16   23    8 o  228.614   10.789  142.048   13.328   0.0000   0.0000  142.048   13.328  ?   ?   228.614   10.789      ?      ? 
1 1 1  -16   23    9 o  362.511   6.9994  356.905   13.709  355.921   19.561  357.855   19.217  362.001   9.9998  363.021   9.7965 -1.020508 13.99887 
1 1 1  -16   23   10 o  513.876   10.751  717.958   29.855   0.0000   0.0000  717.958   29.855  ?   ?   513.876   10.751      ?      ? 
1 1 1  -16   23   12 o  420.701   10.085  481.086   22.926   0.0000   0.0000  481.086   22.926  ?   ?   420.701   10.085      ?      ? 
1 1 1  -16   23   13 o  584.689   11.592  931.327   36.624   0.0000   0.0000  931.327   36.624  ?   ?   584.689   11.592      ?      ? 
1 1 1  -16   23   14 o  227.143   12.940  152.860   12.849  124.054   26.586  161.640   14.678  210.654   23.356  243.632   11.149 -32.97879 25.88048 
1 1 1  -16   23   15 o  199.662   15.445  116.956   15.670   87.725   24.692  136.667   20.276  176.434   25.899  222.889   16.835 -46.45477 30.88965 
1 1 1  -16   23   16 o  341.281   11.414  322.825   20.813  295.721   31.009  345.045   28.076  327.629   17.515  354.933   14.639 -27.30341 22.82711 
1 1 1  -16   23   17 o  179.135   11.471   89.275   10.263   91.156   12.430   85.248   18.193  182.737   12.588  175.532   19.181 7.204926 22.94258 
1 1 1  -16   23   18 o  203.613   11.650  113.049   12.818   0.0000   0.0000  113.049   12.818  ?   ?   203.613   11.650      ?      ? 
1 1 1  -16   23   19 o  116.292   13.223   38.528   7.8226   52.463   11.328   25.827   10.815  138.196   15.170   94.388   21.663 43.80786 26.44670 
1 1 1  -16   23   20 o  267.132   7.1090  194.739   10.239  185.292   14.735  203.557   14.237  260.769   10.457  273.494   9.6332 -12.72574 14.21799 
1 1 1  -16   23   21 o  106.119   13.855   32.344   7.6597   23.542   10.743   41.444   10.924   89.781   22.256  122.457   16.509 -32.67574 27.71019 
1 1 1  -16   23   22 o  271.224   9.8970  200.500   14.505   0.0000   0.0000  200.500   14.505  ?   ?   271.224   9.8970      ?      ? 
1 1 1  -16   23   23 o  367.067   6.9822  367.167   13.823  370.667   20.219  364.095   18.942  368.615   10.151  365.520   9.5899 3.094391 13.96432 
1 1 1  -16   23   24 o  316.146   6.8024  272.642   11.608  257.955   16.405  287.372   16.429  307.539   9.8715  324.754   9.3619 -17.21582 13.60486 
1 1 1  -16   23   25 o  253.272   9.7967  174.993   13.408   0.0000   0.0000  174.993   13.408  ?   ?   253.272   9.7967      ?      ? 
1 1 1  -16   23   26 o  117.453   11.559   38.546   7.2895   42.395   10.156   34.456   10.469  123.758   15.186  111.148   17.431 12.61008 23.11854 
1 1 1  -16   23   27 o  184.164   11.650   93.072   11.594   0.0000   0.0000   93.072   11.594  ?   ?   184.164   11.650      ?      ? 
1 1 1  -16   23   28 o  183.997   8.3393   92.721   8.2347   96.175   12.485   90.062   10.955  186.858   12.365  181.135   11.193 5.723206 16.67855 
1 1 1  -16   23   29 o   83.112   14.431   20.333   7.1253   8.8812   10.292   30.872   9.8740   61.467   22.995  104.758   17.443 -43.29077 28.86247 
1 1 1  -16   23   30 o  182.838   8.1785   91.923   8.0648   93.656   11.821   90.413   11.031  184.360   11.866  181.316   11.258 3.043915 16.35704 
1 1 1  -16   23   31 o  103.569   13.220   30.601   7.0901   54.357   10.851   12.900   9.3663  139.715   14.372   67.424   22.192 72.29124 26.43988 
1 1 1  -16   23   32 f  194.193   7.8665  103.197   8.2219  112.060   12.318   96.074   11.042  201.600   11.307  186.787   10.940 14.81319 15.73301 
1 1 1  -16   23   33 o   82.992   15.349   20.530   7.0606   26.641   10.445   15.388   9.5811   94.049   21.075   71.935   22.320 22.11378 30.69746 
1 1 1  -16   23   34 f  144.357   10.583   61.692   7.5821   35.173   10.798   87.483   10.649  110.792   18.037  177.923   11.076 -67.13054 21.16599 
1 1 1  -16   23   35 o   52.442   15.248   3.9395   6.9437   3.3889   10.124   4.4285   9.5412   52.279   21.730   52.605   21.397 -0.3266106 30.49598 
1 1 1  -16   23   36 o   62.000   15.593   9.1321   6.7666   16.573   10.531   3.8994   8.8310   73.723   23.474   50.278   20.533 23.44544 31.18694 
1 1 1  -16   23   37 o  101.574   12.806   30.109   6.8664   33.670   10.141   27.094   9.3307  108.054   17.368   95.095   18.824 12.95962 25.61256 
1 1 1  -16   23   38 o  161.856   8.8743   73.418   7.7090   73.151   11.572   73.631   10.337  161.247   13.281  162.466   11.775 -1.218887 17.74859 
1 1 1  -16   23   39 o   49.533   14.643   2.0768   6.8629  -4.0118   10.211   7.0932   9.2685   43.593   19.822   55.473   21.558 -11.87996 29.28515 
1 1 1  -16   23   40 o   99.312   14.123   30.010   7.2801   33.307   11.006   27.444   9.7075  104.041   20.305   94.583   19.636 9.458214 28.24639 
1 1 1  -16   23   41 o   51.089   14.163  -0.4016   6.8075   14.321   10.080 -12.7492   9.2308   68.077   23.035   34.101   16.483 33.97540 28.32505 
1 1 1  -16   23   42 o   89.621   14.409   26.338   7.1832   14.892   10.855   35.254   9.5810   69.197   23.893  110.045   16.112 -40.84804 28.81795 
1 1 1  -16   23   43 o   83.180   13.896   22.535   7.3529   4.5850   11.012   36.974   9.8770   53.859   22.548  112.502   16.247 -58.64240 27.79160 
1 1 1  -16   23   44 o   57.010   15.959   7.7882   7.3275   10.467   10.707   5.4285   10.049   61.034   23.313   52.986   21.801 8.047207 31.91866 
1 1 1  -16   23   45 o   77.519   15.607   20.395   7.3076   11.922   11.227   26.624   9.6260   63.443   23.958   91.595   20.008 -28.15241 31.21424 
1 1 1  -16   23   46 o   92.864   15.149   29.246   7.4842   23.903   11.196   33.563   10.063   82.779   23.775  102.950   18.782 -20.17068 30.29852 
1 1 1  -16   23   47 o   95.558   17.899   34.895   9.3283   25.698   19.129   37.764   10.685   80.298   31.035  110.819   17.843 -30.52039 35.79898 
1 1 1  -16   23   48 o  183.622   13.955  109.929   12.799   87.162   20.797  123.806   16.237  161.949   23.765  205.294   14.637 -43.34543 27.91100 
1 1 1  -16   23   49 o   74.148   20.010   19.717   10.202   24.797   20.383   18.018   11.785   77.425   31.353   70.871   24.871 6.553650 40.01947 
1 1 1  -16   23   50 o  154.863   10.080   70.984   8.2677   93.439   13.140   56.270   10.637  174.836   13.909  134.889   14.593 39.94722 20.15977 
1 1 1  -16   23   51 o   82.465   15.820   25.589   7.5423   18.246   11.658   30.874   9.8910   69.246   24.693   95.684   19.783 -26.43785 31.64066 
1 1 1  -16   23   52 o  113.528   13.330   42.967   7.9196   52.343   12.142   36.025   10.448  125.548   17.898  101.508   19.758 24.04034 26.65949 
1 1 1  -16   24    1 o  201.757   11.209  110.867   12.220   0.0000   0.0000  110.867   12.220  ?   ?   201.757   11.209      ?      ? 
1 1 1  -16   24    2 o  180.986   8.6892   89.203   8.4684   99.964   12.246   79.340   11.723  191.493   11.835  170.480   12.726 21.01253 17.37835 
1 1 1  -16   24    3 o  354.075   9.6691  340.758   18.500   0.0000   0.0000  340.758   18.500  ?   ?   354.075   9.6691      ?      ? 
1 1 1  -16   24    4 o  163.451   9.3578   72.989   8.2645   73.359   11.771   72.629   11.606  163.851   13.294  163.050   13.173 0.8006897 18.71560 
1 1 1  -16   24    5 o  175.414   16.471   97.100   10.911   72.320   25.177  102.831   12.108  156.565   30.856  194.262   11.534 -37.69725 32.94126 
1 1 1  -16   24    6 o  280.702   11.861  229.185   14.196  196.126   30.865  238.055   15.988  265.519   21.512  295.885   9.9994 -30.36627 23.72279 
1 1 1  -16   24    7 o  208.789   11.520  126.491   11.400  135.202   13.528  105.158   21.170  222.800   11.237  194.778   20.114 28.02190 23.04011 
1 1 1  -16   24    8 o  171.549   13.068   75.364   10.446   70.143   11.870   93.288   21.992  160.162   13.715  182.937   22.247 -22.77443 26.13527 
1 1 1  -16   24    9 o  253.976   10.110  175.427   13.875   0.0000   0.0000  175.427   13.875  ?   ?   253.976   10.110      ?      ? 
1 1 1  -16   24   10 o   47.097   14.603  -4.1690   7.4287 -10.9476   10.380   2.9493   10.637   39.754   18.720   54.440   22.418 -14.68659 29.20658 
1 1 1  -16   24   11 o  152.181   18.026   75.817   10.981   51.441   23.823   82.393   12.374  130.737   33.554  173.625   13.189 -42.88838 36.05246 
1 1 1  -16   24   12 o   97.151   23.124   26.291   14.079   25.090   23.292   26.982   17.674   97.495   34.888   96.807   30.360 0.6880264 46.24863 
1 1 1  -16   24   13 o  275.563   12.288  209.766   18.131  208.378   27.498  210.833   24.115  274.349   18.549  276.776   16.124 -2.426941 24.57701 
1 1 1  -16   24   14 o   88.448   19.132   16.089   13.720 -24.5045   21.586   43.604   17.772   55.511   26.393  121.385   27.705 -65.87341 38.26431 
1 1 1  -16   24   15 o  217.821   7.7295  129.186   9.0903  123.308   12.565  135.641   13.167  212.630   10.936  223.012   10.926 -10.38152 15.45896 
1 1 1  -16   24   16 o  429.514   9.9810  502.587   23.165   0.0000   0.0000  502.587   23.165  ?   ?   429.514   9.9810      ?      ? 
1 1 1  -16   24   17 f  262.054   10.152  187.221   14.375   0.0000   0.0000  187.221   14.375  ?   ?   262.054   10.152      ?      ? 
1 1 1  -16   24   18 o  178.905   8.6975   87.802   8.3852   89.588   11.514   85.784   12.236  180.947   11.776  176.862   12.803 4.085144 17.39492 
1 1 1  -16   24   19 o  203.578   7.8760  113.252   8.6558  106.621   12.120  120.153   12.366  197.451   11.360  209.704   10.913 -12.25320 15.75203 
1 1 1  -16   24   20 o  243.011   10.033  161.115   13.175   0.0000   0.0000  161.115   13.175  ?   ?   243.011   10.033      ?      ? 
1 1 1  -16   24   21 o  163.317   9.2994   73.468   8.1262   86.900   11.677   60.854   11.316  178.030   12.138  148.604   14.092 29.42610 18.59880 
1 1 1  -16   24   22 o  232.249   7.3935  147.555   9.2662  139.323   13.141  155.695   13.068  225.719   10.774  238.779   10.128 -13.05991 14.78706 
1 1 1  -16   24   23 o   88.003   15.434   22.680   7.3927   28.566   10.739   17.376   10.193   98.818   20.770   77.188   22.835 21.62940 30.86808 
1 1 1  -16   24   24 o  135.275   10.926   51.247   7.8607   61.975   11.190   40.794   11.045  149.739   13.829  120.812   16.919 28.92770 21.85167 
1 1 1  -16   24   25 o  129.519   11.048   46.829   7.7146   43.382   10.921   50.262   10.899  124.600   16.220  134.438   15.003 -9.837868 22.09512 
1 1 1  -16   24   26 o   51.980   15.286   2.6775   7.1049   3.9131   10.076   1.4557   10.020   53.653   21.924   50.308   21.307 3.344379 30.57253 
1 1 1  -16   24   27 o  258.939   7.0371  183.836   9.8382  178.784   14.071  188.668   13.761  255.367   10.197  262.511   9.7010 -7.144104 14.07418 
1 1 1  -16   24   28 o   95.232   14.572   26.694   7.2657   30.032   10.802   23.936   9.8190  100.759   20.536   89.704   20.680 11.05537 29.14427 
1 1 1  -16   24   29 o  119.254   11.576   39.642   7.4017   47.247   11.040   33.432   9.9758  129.720   15.750  108.788   16.970 20.93149 23.15242 
1 1 1  -16   24   30 o   84.103   15.682   21.596   7.3801   16.092   10.587   26.800   10.294   73.660   23.545   94.545   20.721 -20.88477 31.36395 
1 1 1  -16   24   31 o  222.058   7.7123  136.494   9.2290  127.629   13.217  144.930   12.893  214.788   11.387  229.327   10.404 -14.53871 15.42455 
1 1 1  -16   24   32 o  101.850   13.603   30.317   7.3186   34.802   10.683   26.350   10.046  110.159   17.947   93.540   20.446 16.61873 27.20557 
1 1 1  -16   24   33 o   78.056   15.353   18.033   7.0540   26.770   10.374   10.520   9.6201   93.787   20.994   62.324   22.409 31.46253 30.70667 
1 1 1  -16   24   34 o   66.413   16.473   12.567   7.3095   13.903   10.644   11.375   10.055   68.826   23.666   63.999   22.921 4.826401 32.94589 
1 1 1  -16   24   35 o  151.453   9.4611   64.767   7.6977   60.906   11.281   68.131   10.530  146.830   14.218  156.076   12.485 -9.245667 18.92218 
1 1 1  -16   24   36 o  194.462   8.1186  105.176   8.5044  108.305   12.604  102.562   11.522  196.918   11.845  192.005   11.105 4.912231 16.23716 
1 1 1  -16   24   37 o  256.297   7.1590  181.229   9.8479  190.255   14.954  174.318   13.086  261.598   10.579  250.997   9.6485 10.60110 14.31800 
1 1 1  -16   24   38 o   46.248   14.266   0.1692   6.7263   1.3441   9.5903  -0.9684   9.4363   47.747   20.550   44.748   19.792 2.999798 28.53131 
1 1 1  -16   24   39 o  171.683   8.8053   83.482   8.1341   80.427   11.920   86.144   11.128  168.335   13.104  175.032   11.765 -6.697891 17.61062 
1 1 1  -16   24   40 o   62.261   16.186   10.002   7.4291   16.619   10.948   4.3543   10.114   72.258   24.004   52.265   21.721 19.99265 32.37247 
1 1 1  -16   24   41 o  193.091   8.3724  106.702   8.5829   91.769   12.726  119.165   11.625  179.596   13.113  206.586   10.414 -26.98984 16.74488 
1 1 1  -16   24   42 o   48.167   14.783   1.5503   7.1050   0.6378   10.796   2.2476   9.4369   48.497   21.322   47.838   20.482 0.6591492 29.56566 
1 1 1  -16   24   43 o   85.064   15.294   24.193   7.7209   11.547   11.165   35.784   10.689   62.871   23.856  107.257   19.145 -44.38654 30.58808 
1 1 1  -16   24   44 o   74.491   16.560   18.795   7.4437   22.494   11.115   15.786   10.024   80.421   23.859   68.560   22.972 11.86121 33.12009 
1 1 1  -16   24   45 o   50.415   15.663  -0.3885   9.2940 -35.8784   20.049   9.3257   10.489   43.158   21.505   57.672   22.778 -14.51397 31.32596 
1 1 1  -16   24   46 o   71.061   20.367   15.896   11.493   20.119   20.688   14.011   13.822   75.423   31.182   66.699   26.210 8.723923 40.73409 
1 1 1  -16   24   47 o  146.146   17.822   75.242   12.591   68.739   21.664   78.559   15.472  132.756   30.796  159.536   17.948 -26.77989 35.64418 
1 1 1  -16   24   48 o   62.474   16.820   14.812   7.9100   13.083   11.999   16.142   10.520   60.060   24.148   64.888   23.420 -4.827774 33.63992 
1 1 1  -16   24   49 o   52.451   15.515   6.5925   7.6220   1.0431   11.773   10.597   10.001   47.706   21.528   57.195   22.347 -9.489033 31.02925 
1 1 1  -16   24   50 o   55.232   14.728   2.6917   7.2815   23.745   11.502 -11.3904   9.4066   76.953   24.535   33.510   16.301 43.44304 29.45672 
1 1 1  -16   25    1 o   71.187   15.627   13.066   7.2127   4.6900   10.040   21.998   10.368   55.436   22.160   86.938   22.040 -31.50243 31.25406 
1 1 1  -16   25    3 o  132.220   10.763   48.273   7.6344   41.513   10.752   55.147   10.842  122.688   16.218  141.752   14.154 -19.06409 21.52602 
1 1 1  -16   25    4 o   80.434   14.196   17.129   7.4105   32.498   10.517   1.9717   10.444  108.293   17.972   52.575   21.980 55.71758 28.39165 
1 1 1  -16   25    5 f  109.165   13.196   33.543   7.6278   32.565   10.718   34.547   10.858  106.696   19.300  111.635   17.999 -4.939636 26.39106 
1 1 1  -16   25    6 o  163.607   17.824   74.954   11.124   80.315   28.005   73.950   12.121  163.018   32.925  164.197   13.661 -1.179260 35.64705 
1 1 1  -16   25    7 o  100.255   18.721   34.908   10.232   4.5495   24.654   41.225   11.246   78.449   33.334  122.062   17.051 -43.61250 37.44208 
1 1 1  -16   25    8 o  144.627   21.174   64.336   15.817   51.396   25.325   72.613   20.253  128.990   35.305  160.264   23.387 -31.27371 42.34835 
1 1 1  -16   25    9 o   58.574   19.371 -17.3183   14.626 -13.4775   23.977 -19.5946   18.458   65.076   29.884   52.072   24.655 13.00387 38.74214 
1 1 1  -16   25   10 o   98.342   22.996   16.764   16.275   54.842   26.368  -6.6712   20.686  132.671   35.905   64.013   28.742 68.65829 45.99220 
1 1 1  -16   25   11 o  106.056   23.843   34.771   15.548   21.770   27.536   40.856   18.839   95.915   37.190  116.198   29.846 -20.28293 47.68519 
1 1 1  -16   25   12 o  159.783   9.9472   70.562   8.4776   84.830   12.144   57.000   11.840  175.863   12.779  143.703   15.247 32.15942 19.89442 
1 1 1  -16   25   13 o  240.942   10.831  158.590   14.101   0.0000   0.0000  158.590   14.101  ?   ?   240.942   10.831      ?      ? 
1 1 1  -16   25   14 o   50.607   15.301   0.2608   7.4648  -1.7666   10.605   2.2517   10.509   48.358   21.200   52.856   22.068 -4.497707 30.60127 
1 1 1  -16   25   15 o   64.373   15.240   9.3429   7.0530   18.783   9.8943  -0.4094   10.057   80.179   22.118   48.567   20.973 31.61203 30.48070 
1 1 1  -16   25   16 o  111.358   13.326   35.263   7.7459   42.600   11.180   28.490   10.742  123.839   16.707   98.876   20.765 24.96262 26.65185 
1 1 1  -16   25   17 o  116.052   13.282   38.235   7.9752   48.811   11.652   28.912   10.939  132.607   16.260   99.498   21.006 33.10920 26.56418 
1 1 1  -16   25   18 f  177.972   8.8446   87.037   8.4999   82.958   11.974   91.180   12.068  173.709   12.756  182.234   12.255 -8.525269 17.68926 
1 1 1  -16   25   19 f   56.261   14.833   3.7397   7.2057   14.377   9.6317  -9.7819   10.859   71.027   22.432   41.494   19.415 29.53384 29.66695 
1 1 1  -16   25   20 o   58.863   16.201   6.8902   7.4118   7.1855   10.556   6.6030   10.410   59.420   23.030   58.305   22.794 1.115845 32.40259 
1 1 1  -16   25   21 o  155.794   9.3583   67.067   7.8774   68.502   11.191   65.659   11.090  157.466   13.152  154.121   13.317 3.344543 18.71654 
1 1 1  -16   25   22 o   49.116   14.404  -3.4075   7.1557   9.7944   10.491 -14.8917   9.7850   63.208   23.300   35.025   16.940 28.18307 28.80733 
1 1 1  -16   25   23 o  198.428   11.114  108.217   11.916   0.0000   0.0000  108.217   11.916  ?   ?   198.428   11.114      ?      ? 
1 1 1  -16   25   24 o  229.199   10.625  144.253   13.160   0.0000   0.0000  144.253   13.160  ?   ?   229.199   10.625      ?      ? 
1 1 1  -16   25   25 o   59.157   15.988   6.9756   7.3662   12.099   10.495   2.0011   10.341   66.821   23.469   51.493   21.719 15.32819 31.97688 
1 1 1  -16   25   26 o  128.500   11.040   46.447   7.6506   43.513   10.877   49.320   10.763  124.292   16.195  132.708   15.009 -8.416679 22.08051 
1 1 1  -16   25   27 o  128.101   10.824   45.768   7.4399   54.019   11.039   38.902   10.071  138.780   14.721  117.421   15.871 21.35879 21.64717 
1 1 1  -16   25   28 o  137.936   10.208   53.225   7.5949   56.043   11.164   50.798   10.362  141.256   14.627  134.616   14.245 6.639496 20.41696 
1 1 1  -16   25   29 o  171.173   9.0317   81.717   8.3337   80.096   12.140   83.162   11.461  169.363   13.265  172.983   12.261 -3.619781 18.06347 
1 1 1  -16   25   30 o  115.914   12.108   38.583   7.5578   36.183   10.887   40.814   10.500  112.093   17.975  119.736   16.228 -7.643166 24.21662 
1 1 1  -16   25   31 o   90.352   14.321   24.037   7.2567   37.774   10.795   12.710   9.8018  114.488   17.449   66.217   22.713 48.27090 28.64187 
1 1 1  -16   25   32 o   93.037   14.386   25.894   7.2629   35.313   10.624   17.631   9.9511  110.480   17.797   75.594   22.609 34.88604 28.77271 
1 1 1  -16   25   33 o   72.071   15.734   15.743   7.2595   7.6394   10.700   22.654   9.8814   58.598   23.050   85.543   21.424 -26.94529 31.46852 
1 1 1  -16   25   34 o  151.357   9.8839   63.912   8.0198   75.209   12.233   55.396   10.621  162.947   13.893  139.767   14.062 23.18068 19.76771 
1 1 1  -16   25   35 o   44.933   14.019  -4.4039   7.1668   5.3558   10.256 -13.7169   10.019   54.248   22.138   35.617   17.206 18.63052 28.03778 
1 1 1  -16   25   36 o  134.119   10.781   52.119   7.7516   47.535   11.312   56.176   10.643  127.893   16.368  140.345   14.035 -12.45161 21.56122 
1 1 1  -16   25   37 o  128.367   11.461   47.593   7.8891   56.444   11.694   40.201   10.687  139.627   15.500  117.107   16.889 22.51971 22.92290 
1 1 1  -16   25   38 o  110.240   13.435   35.849   7.5741   53.378   11.637   22.964   9.9767  135.568   15.885   84.912   21.671 50.65631 26.86929 
1 1 1  -16   25   39 o   37.582   12.705 -11.3234   7.2983 -14.7107   10.979  -8.6411   9.7695   36.992   17.904   38.172   18.032 -1.180019 25.41077 
1 1 1  -16   25   40 o   49.625   14.850   0.9394   7.4964  -8.8855   11.121   9.1219   10.149   40.827   19.272   58.423   22.599 -17.59650 29.70012 
1 1 1  -16   25   41 o   76.763   16.518   19.019   7.7374   26.949   11.466   12.389   10.485   89.787   23.396   63.740   23.324 26.04678 33.03594 
1 1 1  -16   25   42 o  110.877   13.725   37.697   7.8977   50.820   12.267   28.407   10.321  128.919   17.609   92.834   21.059 36.08575 27.45086 
1 1 1  -16   25   43 o   53.969   16.004   6.0636   7.8606   5.1661   11.726   6.7960   10.593   53.663   22.900   54.274   22.363 -0.6112938 32.00837 
1 1 1  -16   25   44 o   86.148   20.174   29.011   11.240   21.845   19.686   32.477   13.691   76.967   30.936   95.330   25.903 -18.36272 40.34857 
1 1 1  -16   25   45 o   88.943   21.118   28.478   11.694   44.842   19.943   19.903   14.436  103.784   32.202   74.102   27.330 29.68194 42.23606 
1 1 1  -16   25   46 o  112.061   16.772   46.480   9.7564   45.482   12.898   47.815   14.916  112.992   21.915  111.129   25.395 1.863953 33.54347 
1 1 1  -16   25   47 o   59.955   16.533   12.435   7.7277   11.793   11.530   12.958   10.413   59.218   23.720   60.692   23.036 -1.474102 33.06522 
1 1 1  -16   25   48 o   58.199   16.537   11.039   7.8812   14.456   12.128   8.5418   10.369   62.497   24.553   53.901   22.158 8.595493 33.07331 
1 1 1  -16   25   49 o   47.785   15.591   1.3361   9.3758   3.3922   12.168  -1.6689   14.710   48.351   21.846   47.220   22.251 1.130646 31.18274 
1 1 1  -16   26    1 o  193.298   11.947  102.374   12.478   0.0000   0.0000  102.374   12.478  ?   ?   193.298   11.947      ?      ? 
1 1 1  -16   26    2 o  135.628   10.631   50.650   7.7688   48.831   10.524   52.827   11.517  133.038   14.639  138.218   15.420 -5.179367 21.26188 
1 1 1  -16   26    3 o  214.032   7.8002  125.280   9.0196  127.481   12.719  123.053   12.793  215.954   10.899  212.110   11.162 3.843933 15.60040 
1 1 1  -16   26    4 o  106.532   20.391   36.983   10.227   19.417   27.855   39.720   10.995   93.518   37.061  119.546   17.020 -26.02775 40.78221 
1 1 1  -16   26    5 o   75.982   22.538   4.2232   15.446   15.417   24.675  -2.9887   19.806   86.990   34.751   64.974   28.709 22.01592 45.07619 
1 1 1  -16   26    6 o  100.598   24.364   29.823   16.362   18.831   26.127   36.914   20.987   91.455   36.004  109.740   32.836 -18.28516 48.72879 
1 1 1  -16   26    7 o  217.908   16.121  137.538   18.510  119.932   28.260  150.766   24.496  204.028   25.632  231.789   19.558 -27.76106 32.24157 
1 1 1  -16   26    8 o  269.037   13.245  204.902   18.910  187.590   28.830  217.973   25.051  257.926   20.685  280.148   16.548 -22.22174 26.48989 
1 1 1  -16   26    9 o  142.712   26.985   60.698   20.047   0.0000   0.0000   60.698   20.047  ?   ?   142.712   26.985      ?      ? 
1 1 1  -16   26   10 o  241.818   9.9803  157.801   11.899  152.909   14.088  169.977   22.228  236.388   11.029  247.247   16.637 -10.85922 19.96066 
1 1 1  -16   26   12 o  121.841   12.039   41.484   7.8897   36.835   11.106   46.221   11.210  114.731   17.914  128.951   16.087 -14.21958 24.07770 
1 1 1  -16   26   13 o  185.435   11.964   94.443   11.988   94.443   11.988   0.0000   0.0000  185.435   11.964  ?   ?       ?      ? 
1 1 1  -16   26   14 o   99.664   20.225   29.058   10.520   0.0000   0.0000   29.058   10.520  ?   ?    99.664   20.225      ?      ? 
1 1 1  -16   26   15 o  276.164   10.135  208.746   15.124   0.0000   0.0000  208.746   15.124  ?   ?   276.164   10.135      ?      ? 
1 1 1  -16   26   16 o   92.218   15.501   25.404   7.7430   18.323   10.881   32.668   11.021   78.745   23.662  105.691   20.030 -26.94617 31.00132 
1 1 1  -16   26   17 o   50.384   14.360  -1.7219   6.9945 -13.4247   9.6595   11.179   10.142   35.625   17.130   65.142   23.052 -29.51720 28.71986 
1 1 1  -16   26   18 o  210.753   11.117  122.065   12.660   0.0000   0.0000  122.065   12.660  ?   ?   210.753   11.117      ?      ? 
1 1 1  -16   26   19 o  111.338   13.169   35.559   7.6901   41.452   11.136   30.187   10.632  121.397   16.977  101.279   20.136 20.11887 26.33758 
1 1 1  -16   26   20 o   63.087   16.064   9.5149   7.3051   3.9123   10.360   15.055   10.302   54.064   22.177   72.109   23.245 -18.04457 32.12765 
1 1 1  -16   26   21 o   64.435   16.172   10.570   7.1849   6.8645   9.8823   14.726   10.465   57.400   22.273   71.469   23.454 -14.06921 32.34486 
1 1 1  -16   26   22 o  196.050   8.3684  106.110   8.8615  109.457   12.760  102.993   12.316  199.022   11.865  193.077   11.804 5.944489 16.73672 
1 1 1  -16   26   23 f  104.184   20.070   32.230   10.889   0.0000   0.0000   32.230   10.889  ?   ?   104.184   20.070      ?      ? 
1 1 1  -16   26   24 o  112.284   13.748   37.225   7.8949   52.416   11.540   23.859   10.825  136.259   15.673   88.309   22.592 47.95013 27.49630 
1 1 1  -16   26   25 f  108.177   13.197   34.062   7.5159   38.423   10.843   30.030   10.427  116.050   17.291  100.303   19.940 15.74715 26.39316 
1 1 1  -16   26   26 o  248.849   7.3904  170.616   9.9226  175.302   14.511  166.500   13.598  251.950   10.659  245.748   10.240 6.202042 14.78081 
1 1 1  -16   26   27 o  132.720   11.053   49.407   7.7745   64.167   11.647   37.544   10.441  150.921   14.282  114.518   16.873 36.40298 22.10560 
1 1 1  -16   26   28 o   47.499   14.349  -1.6339   7.1524 -11.6049   10.490   7.0276   9.7774   38.444   18.312   56.554   22.096 -18.10958 28.69795 
1 1 1  -16   26   29 o   47.714   14.675   0.1203   7.0755  -1.0807   10.249   1.2136   9.7796   46.907   20.693   48.521   20.815 -1.613853 29.35033 
1 1 1  -16   26   30 o   86.411   13.932   23.142   7.3081   6.4902   10.524   38.652   10.157   56.701   22.680  116.121   16.186 -59.41966 27.86320 
1 1 1  -16   26   31 o   80.080   15.495   20.456   7.2845   12.250   10.794   27.320   9.8715   65.603   23.717   94.557   19.947 -28.95390 30.98997 
1 1 1  -16   26   32 o   57.004   15.753   6.6801   7.2934   1.4469   10.253   12.041   10.377   49.315   21.237   64.694   23.273 -15.37885 31.50583 
1 1 1  -16   26   33 o   65.944   15.591   12.390   7.1976   3.5989   10.516   20.138   9.8722   52.234   21.960   79.653   22.139 -27.41902 31.18254 
1 1 1  -16   26   34 o   88.961   15.587   25.895   7.5643   19.849   11.412   30.633   10.102   78.094   24.381   99.829   19.426 -21.73550 31.17394 
1 1 1  -16   26   35 o   70.253   15.693   14.140   7.2569   24.462   10.767   5.5482   9.8233   87.096   22.661   53.410   21.716 33.68596 31.38633 
1 1 1  -16   26   36 o   66.589   16.036   12.082   7.2719   21.208   11.109   5.2381   9.6194   80.556   23.841   52.622   21.453 27.93491 32.07212 
1 1 1  -16   26   37 o   57.250   16.063   7.9189   7.4477   5.8633   11.113   9.5946   10.034   55.233   22.846   59.267   22.585 -4.033581 32.12543 
1 1 1  -16   26   38 o  121.206   12.883   45.495   7.9883   35.948   11.618   54.056   11.001  106.216   20.987  136.197   14.948 -29.98163 25.76614 
1 1 1  -16   26   39 o  103.366   14.619   34.405   8.0057   47.927   11.508   21.723   11.145  126.715   16.806   80.017   23.925 46.69749 29.23783 
1 1 1  -16   26   40 o   36.504   12.401 -12.5807   7.3289 -21.1078   10.837  -5.3935   9.9492   32.739   16.229   40.269   18.756 -7.529686 24.80222 
1 1 1  -16   26   41 o  100.577   15.705   33.163   8.3305   43.982   12.737   25.076   11.012  115.985   21.100   85.168   23.268 30.81659 31.41058 
1 1 1  -16   26   42 o   53.342   17.707 -11.2214   11.819   9.5068   20.975 -20.8649   14.307   66.762   29.519   39.922   19.566 26.83929 35.41467 
1 1 1  -16   26   43 o   65.778   19.470   12.804   11.379   8.1824   20.681   14.811   13.628   64.617   28.895   66.939   26.105 -2.321693 38.94081 
1 1 1  -16   26   44 o   44.366   14.804  -7.1556   9.0670 -14.7941   11.747   4.1014   14.261   36.407   17.819   52.325   23.645 -15.91745 29.60738 
1 1 1  -16   26   45 o   71.836   16.477   18.511   7.6953   28.068   11.557   10.898   10.315   86.155   23.956   57.517   22.629 28.63779 32.95345 
1 1 1  -16   26   46 o   42.857   19.814  -2.4517   10.794   0.0000   0.0000  -2.4517   10.794  ?   ?    42.857   19.814      ?      ? 
1 1 1  -16   26   47 o   40.368   14.101 -18.2710   10.700 -24.7523   13.976  -9.0946   16.630   35.432   17.703   45.305   21.953 -9.872578 28.20142 
1 1 1  -16   27    1 o   63.817   20.575 -12.1332   16.432 -33.6036   26.046   2.0624   21.179   57.564   27.792   70.070   30.347 -12.50621 41.15015 
1 1 1  -16   27    2 o   98.884   23.798   28.633   17.001   5.0878   26.538   45.023   22.141   79.016   34.096  118.753   33.208 -39.73782 47.59513 
1 1 1  -16   27    3 o   94.898   24.903   25.409   16.898   25.653   25.778   25.225   22.375   96.031   36.295   93.765   34.109 2.266090 49.80677 
1 1 1  -16   27    4 o   79.126   19.792   17.689   9.8492   20.079   11.048   8.4324   21.739   82.122   23.627   76.131   31.759 5.990677 39.58390 
1 1 1  -16   27    5 o   65.197   14.787   8.4414   7.3551   22.545   10.292  -6.2783   10.515   87.022   21.903   43.371   19.870 43.65104 29.57337 
1 1 1  -16   27    6 o  125.149   11.415   43.215   7.6446   35.726   10.248   52.610   11.479  112.908   16.797  137.391   15.461 -24.48342 22.82929 
1 1 1  -16   27    7 o   95.584   14.654   26.985   7.3636   23.253   10.304   30.881   10.527   88.370   21.730  102.797   19.668 -14.42698 29.30882 
1 1 1  -16   27    8 o  135.942   19.556   67.688   10.820   37.162   25.606   74.323   11.939  108.022   36.714  163.863   13.483 -55.84013 39.11133 
1 1 1  -16   27    9 o  104.562   21.048   31.603   9.9466   35.946   25.989   30.857   10.766  106.595   36.960  102.529   20.151 4.066696 42.09672 
1 1 1  -16   27   10 o  122.752   17.326   48.077   9.9098   52.000   11.613   37.568   19.009  136.419   15.753  109.084   30.863 27.33561 34.65120 
1 1 1  -16   27   11 o  130.245   16.776   54.091   9.8873   58.604   11.581   41.959   18.988  145.087   14.772  115.404   30.125 29.68237 33.55222 
1 1 1  -16   27   12 f   51.740   15.340   1.5940   7.3651   5.7590   10.515  -2.4169   10.319   56.973   22.710   46.507   20.627 10.46669 30.67912 
1 1 1  -16   27   13 o  182.058   9.0753   91.724   8.9233   89.345   12.706   94.038   12.534  179.644   13.089  184.473   12.574 -4.829636 18.15057 
1 1 1  -16   27   14 o  209.637   8.3497  121.194   9.4566  123.049   13.314  119.306   13.434  211.308   11.660  207.965   11.955 3.343552 16.69935 
1 1 1  -16   27   15 o   97.293   14.739   28.277   7.5076   30.340   10.322   25.960   10.940  101.633   19.504   92.954   22.104 8.678894 29.47815 
1 1 1  -16   27   16 o  173.943   9.3487   82.840   8.6693  104.233   13.033   65.862   11.610  194.085   12.427  153.802   13.970 40.28323 18.69739 
1 1 1  -16   27   17 o   65.092   16.625   11.068   7.5319   9.2628   10.640   12.881   10.663   62.078   23.350   68.105   23.672 -6.027439 33.24995 
1 1 1  -16   27   18 o   88.913   14.577   22.722   7.6629   39.049   11.269   8.6793   10.451  117.054   17.817   60.772   23.076 56.28187 29.15322 
1 1 1  -16   27   19 o  135.237   11.044   51.520   8.0489   56.854   11.600   46.570   11.177  142.163   15.101  128.311   16.120 13.85220 22.08854 
1 1 1  -16   27   20 o  210.510   8.1091  122.595   9.2110  123.649   13.413  121.654   12.671  211.241   11.751  209.779   11.178 1.462341 16.21818 
1 1 1  -16   27   21 o   87.704   15.670   23.688   7.4516   20.991   10.979   25.992   10.147   82.609   23.484   92.798   20.755 -10.18974 31.34076 
1 1 1  -16   27   22 o   88.242   15.489   24.090   7.5100   17.457   10.778   30.349   10.470   75.798   23.698  100.687   19.949 -24.88938 30.97728 
1 1 1  -16   27   23 o   70.007   15.327   13.477   7.1451   23.576   10.204   3.7626   10.008   87.614   21.673   52.400   21.678 35.21443 30.65357 
1 1 1  -16   27   24 o  142.781   10.489   57.484   8.0058   69.538   11.727   46.963   10.956  157.180   13.807  128.381   15.793 28.79930 20.97755 
1 1 1  -16   27   25 o  108.203   13.713   34.712   7.8279   38.311   11.204   31.279   10.941  114.985   18.031  101.422   20.666 13.56299 27.42651 
1 1 1  -16   27   26 o  159.387   9.6862   71.502   8.3368   75.252   11.972   67.972   11.616  163.510   13.550  155.264   13.846 8.246750 19.37248 
1 1 1  -16   27   27 o  149.538   10.229   63.546   8.2502   60.479   11.816   66.464   11.525  145.742   15.004  153.335   13.909 -7.592484 20.45889 
1 1 1  -16   27   28 o  111.795   13.412   37.155   7.7469   48.758   11.398   27.192   10.562  130.076   16.216   93.514   21.368 36.56123 26.82417 
1 1 1  -16   27   29 o   78.183   16.399   19.428   7.4265   19.428   10.604   19.428   10.404   78.150   23.331   78.216   23.052 -0.6574249E-01 32.79792 
1 1 1  -16   27   30 o   68.637   16.542   14.418   7.4446   11.498   10.839   17.026   10.243   63.892   23.658   73.382   23.128 -9.489502 33.08496 
1 1 1  -16   27   31 o   74.878   16.336   18.037   7.4641   13.295   10.960   22.139   10.193   66.624   23.922   83.132   22.251 -16.50834 32.67118 
1 1 1  -16   27   32 o   92.214   16.028   27.441   7.9297   26.159   11.572   28.577   10.888   89.559   23.585   94.869   21.709 -5.309380 32.05534 
1 1 1  -16   27   33 o   67.118   16.623   13.203   7.5998   18.452   11.170   8.6782   10.370   75.514   24.190   58.722   22.807 16.79256 33.24672 
1 1 1  -16   27   34 o   98.229   15.088   30.672   7.7679   31.560   11.352   29.889   10.653   99.311   21.755   97.146   20.912 2.165474 30.17590 
1 1 1  -16   27   35 o   59.987   15.025   7.1856   7.2848   20.405   10.460  -5.2637   10.151   78.445   23.112   41.529   19.205 36.91630 30.05005 
1 1 1  -16   27   36 o   60.567   15.872   9.8191   7.4610   1.9079   11.027   16.499   10.132   50.144   21.807   70.991   23.069 -20.84716 31.74459 
1 1 1  -16   27   37 o   67.745   16.616   14.785   8.0157   6.4932   11.813   21.860   10.912   55.801   23.356   79.690   23.640 -23.88953 33.23169 
1 1 1  -16   27   38 o   60.063   15.787   9.0347   7.8355  -2.5121   11.305   19.711   10.870   45.275   20.690   74.851   23.851 -29.57562 31.57490 
1 1 1  -16   27   39 o  115.821   18.504   41.467   11.581   0.0000   0.0000   41.467   11.581  ?   ?   115.821   18.504      ?      ? 
1 1 1  -16   27   40 o  198.456   15.444   75.415   14.240  346.622   31.202   4.0721   16.003  338.709   17.048   58.203   25.757 280.5060 30.88785 
1 1 1  -16   27   41 o   70.477   20.305   17.754   11.982   18.932   19.325   17.018   15.272   71.760   29.941   69.195   27.435 2.564285 40.60958 
1 1 1  -16   27   42 o   59.276   17.214   9.9401   9.1912   0.8081   12.061   22.590   14.195   46.865   21.399   71.688   26.969 -24.82329 34.42736 
1 1 1  -16   27   43 o   49.484   15.213   3.3984   7.7388   8.4937   11.113  -1.3994   10.783   54.942   22.795   44.026   20.152 10.91602 30.42613 
1 1 1  -16   27   44 o   55.268   17.244   7.0113   9.4417   5.1054   11.394   11.189   16.869   50.560   22.074   59.976   26.498 -9.416004 34.48766 
1 1 1  -16   27   45 o   50.209   16.383   2.8744   10.315   3.0450   13.759   2.6554   15.586   49.579   22.720   50.839   23.611 -1.260582 32.76683 
1 1 1  -16   28    1 o  113.706   13.628   39.371   7.7864   49.678   10.495   26.752   11.613  133.428   14.556   93.984   23.043 39.44410 27.25576 
1 1 1  -16   28    2 o   82.878   14.410   20.701   7.0895   30.579   9.6432   9.0832   10.458  104.046   17.152   61.709   23.162 42.33757 28.82084 
1 1 1  -16   28    3 o  146.430   10.309   59.274   8.0609   47.765   10.892   73.214   11.987  130.575   15.436  162.285   13.669 -31.71016 20.61821 
1 1 1  -16   28    4 o   40.363   13.209  -6.8240   6.7793  -6.1262   9.1125  -7.6888   10.145   39.702   18.302   41.024   19.051 -1.322079 26.41829 
1 1 1  -16   28    5 o  103.737   14.098   32.290   7.6199   40.518   10.512   23.182   11.061  120.015   16.210   87.458   23.072 32.55679 28.19665 
1 1 1  -16   28    6 o   83.212   16.074   20.879   7.4337   19.599   10.314   22.262   10.724   80.656   22.703   85.769   22.761 -5.113152 32.14824 
1 1 1  -16   28    7 o  102.679   13.665   30.076   7.3839   25.598   9.7454   36.112   11.314   92.832   20.016  112.526   18.607 -19.69373 27.32899 
1 1 1  -16   28    8 o  145.014   10.071   58.784   7.8746   62.997   11.123   54.551   11.150  150.409   13.685  139.619   14.779 10.79048 20.14207 
1 1 1  -16   28    9 o  124.478   21.415   40.644   10.719   63.919   29.505   37.105   11.506  135.051   38.535  113.905   18.693 21.14617 42.82982 
1 1 1  -16   28   10 o  133.445   19.237   46.056   10.656   71.757   26.478   41.088   11.641  146.846   34.033  120.044   17.945 26.80236 38.47441 
1 1 1  -16   28   11 o  168.354   13.111   81.086   10.638   80.966   12.526   81.396   20.149  170.352   13.607  166.357   22.415 3.995331 26.22143 
1 1 1  -16   28   12 o  119.488   16.782   34.737   9.8109   23.530   11.325   68.446   19.641   87.490   23.469  151.486   23.994 -63.99546 33.56348 
1 1 1  -16   28   13 o  377.141   10.097  391.499   20.578   0.0000   0.0000  391.499   20.578  ?   ?   377.141   10.097      ?      ? 
1 1 1  -16   28   14 o   71.267   15.994   13.519   7.6950   3.4960   10.695   24.276   11.080   53.626   22.315   88.908   22.918 -35.28202 31.98738 
1 1 1  -16   28   15 o   45.185   14.406  -3.9108   7.4649  -5.8955   10.548  -1.9190   10.566   43.270   19.852   47.099   20.882 -3.829319 28.81276 
1 1 1  -16   28   16 o  182.063   8.5706   91.627   8.4064   82.713   11.470  101.973   12.356  172.466   12.308  191.660   11.931 -19.19411 17.14114 
1 1 1  -16   28   17 o  199.263   8.4904  110.344   9.1405  111.820   13.074  108.933   12.784  200.539   12.065  197.987   11.949 2.551575 16.98084 
1 1 1  -16   28   18 o  153.735   10.006   66.484   8.3091   64.239   11.562   68.882   11.949  151.047   14.165  156.422   14.137 -5.375565 20.01281 
1 1 1  -16   28   19 o   63.033   16.305   10.580   7.2834   8.6246   10.274   12.556   10.327   59.750   22.833   66.315   23.281 -6.564766 32.60933 
1 1 1  -16   28   20 o   83.339   16.054   21.733   7.4469   19.725   10.938   23.469   10.167   79.510   23.686   87.168   21.677 -7.658005 32.10764 
1 1 1  -16   28   21 o   74.167   16.694   16.851   7.5610   18.755   10.723   14.968   10.663   77.670   23.523   70.664   23.694 7.005798 33.38755 
1 1 1  -16   28   22 o  126.504   11.526   45.861   7.8771   46.691   11.278   45.069   11.007  127.597   16.356  125.411   16.242 2.185394 23.05101 
1 1 1  -16   28   23 f   44.522   14.147  -4.9889   7.4283   2.5017   10.480 -12.5515   10.531   51.274   21.758   37.769   18.088 13.50480 28.29476 
1 1 1  -16   28   24 o  212.388   8.3813  126.736   9.5723  115.427   13.739  137.403   13.344  202.705   12.543  222.072   11.120 -19.36662 16.76262 
1 1 1  -16   28   25 o  123.557   13.174   46.478   8.0215   27.308   11.096   67.462   11.609   92.992   22.358  154.121   13.940 -61.12964 26.34730 
1 1 1  -16   28   26 o  102.833   14.813   33.834   8.1001   20.083   11.665   46.639   11.257   78.889   24.652  126.777   16.432 -47.88837 29.62669 
1 1 1  -16   28   27 o   84.286   16.166   22.844   7.7578   16.504   10.932   29.277   11.011   72.270   23.985   96.303   21.681 -24.03268 32.33172 
1 1 1  -16   28   28 o  200.067   8.6696  113.063   9.3634  107.888   13.275  118.188   13.210  195.281   12.580  204.852   11.933 -9.571121 17.33929 
1 1 1  -16   28   29 o  188.150   12.358   99.997   12.564   0.0000   0.0000   99.997   12.564  ?   ?   188.150   12.358      ?      ? 
1 1 1  -16   28   30 o   99.976   14.872   31.614   7.9654   21.765   11.272   41.439   11.257   81.511   23.986  118.441   17.589 -36.93055 29.74376 
1 1 1  -16   28   31 o   64.285   16.629   12.294   7.5630   13.904   10.688   10.680   10.703   66.907   23.667   61.663   23.367 5.243900 33.25836 
1 1 1  -16   28   32 o   51.654   15.295   2.7161   7.5785  -4.5113   10.820   9.6757   10.618   43.603   20.043   59.706   23.109 -16.10380 30.59000 
1 1 1  -16   28   33 o   87.941   16.429   26.134   8.1491   19.210   11.813   32.420   11.256   75.515   24.926  100.368   21.408 -24.85294 32.85728 
1 1 1  -16   28   34 o   65.287   16.490   12.758   7.9365   4.5522   11.352   20.603   11.100   53.114   22.596   77.460   24.022 -24.34634 32.97920 
1 1 1  -16   28   35 o   62.131   16.614   11.724   7.7868   16.512   11.321   7.4246   10.728   69.096   24.366   55.167   22.591 13.92912 33.22748 
1 1 1  -16   28   36 o   37.046   12.653 -12.6690   7.6224 -13.8432   11.405 -11.7209   10.248   37.662   18.233   36.431   17.549 1.230129 25.30608 
1 1 1  -16   28   37 o   73.000   20.478   10.494   10.203   38.986   22.683   3.2666   11.424   94.419   34.343   51.581   22.314 42.83769 40.95543 
1 1 1  -16   28   38 o   60.229   19.085   4.1842   12.993  -6.6667   22.217   9.8243   16.018   57.467   27.161   62.991   26.820 -5.523170 38.17093 
1 1 1  -16   28   39 f   75.198   19.499   24.200   12.711  -1.2029   21.894   37.117   15.611   56.442   26.761   93.954   28.367 -37.51202 38.99828 
1 1 1  -16   28   40 o   59.172   16.954   12.456   8.4606   14.081   11.944   10.820   11.987   61.261   24.271   57.083   23.678 4.178429 33.90789 
1 1 1  -16   28   41 o   60.105   17.343   11.017   9.8343   18.477   12.139  -3.2297   16.775   69.363   25.140   50.847   23.899 18.51565 34.68668 
1 1 1  -16   28   42 o   52.904   17.041   4.5524   10.604   3.0428   13.936   6.6284   16.342   50.596   23.064   55.211   25.093 -4.614193 34.08241 
1 1 1  -16   29    1 o   43.120   13.784  -4.4962   6.8464  -7.5101   9.1261  -0.6165   10.354   38.266   17.870   47.973   20.991 -9.707504 27.56727 
1 1 1  -16   29    2 o   62.092   15.898   10.157   6.9846   12.833   9.2397   6.5903   10.669   66.526   22.049   57.659   22.909 8.867214 31.79608 
1 1 1  -16   29    3 o   71.554   16.567   15.097   7.3584   14.114   9.9300   16.294   10.959   69.340   22.852   73.768   23.992 -4.428040 33.13312 
1 1 1  -16   29    4 o   76.313   15.462   17.830   7.0105   23.513   9.5573   11.210   10.315   88.223   20.447   64.404   23.199 23.81916 30.92366 
1 1 1  -16   29    5 o  128.094   11.284   46.439   7.8020   44.685   10.727   48.408   11.369  125.589   15.806  130.599   16.110 -5.010101 22.56880 
1 1 1  -16   29    6 o  114.596   12.112   37.585   7.4800   34.713   10.608   40.426   10.549  109.965   17.852  119.227   16.374 -9.261391 24.22388 
1 1 1  -16   29    7 o   47.073   14.652  -1.1156   7.2255  -0.5110   9.8934  -1.8068   10.578   47.014   20.546   47.133   20.895 -0.1189308 29.30485 
1 1 1  -16   29    8 o   60.616   16.171   9.0099   7.2897   11.012   9.7774   6.5041   10.938   63.421   22.614   57.810   23.122 5.611111 32.34237 
1 1 1  -16   29    9 o  117.529   12.938   40.592   7.7728   29.022   10.735   53.344   11.270   97.773   20.948  137.285   15.191 -39.51207 25.87687 
1 1 1  -16   29   10 o  109.197   18.277   51.004   10.888  -3.0023   29.230   59.704   11.732   73.123   33.360  145.271   14.945 -72.14871 36.55442 
1 1 1  -16   29   11 o   72.736   18.613   15.592   10.500 -22.7477   26.011   23.057   11.477   59.724   28.555   85.749   23.883 -26.02536 37.22654 
1 1 1  -16   29   12 o   77.799   18.742   19.562   9.5992   23.768   10.804   3.7928   20.920   87.385   22.682   68.213   29.843 19.17234 37.48384 
1 1 1  -16   29   13 o   53.780   17.024  -0.5538   8.1276  -0.9424   9.0258   1.1119   18.689   44.309   19.488   63.251   27.921 -18.94160 34.04898 
1 1 1  -16   29   14 o  137.407   10.904   53.971   8.0006   63.638   11.389   44.553   11.241  150.212   14.031  124.602   16.696 25.60992 21.80881 
1 1 1  -16   29   15 o   89.743   15.037   24.446   7.2130   19.542   9.7302   30.429   10.747   79.466   21.939  100.019   20.571 -20.55329 30.07436 
1 1 1  -16   29   16 f  160.536   13.627   72.582   11.821   0.0000   0.0000   72.582   11.821  ?   ?   160.536   13.627      ?      ? 
1 1 1  -16   29   17 o  158.692   10.013   71.248   8.5428   80.645   12.260   62.381   11.910  169.234   13.407  148.150   14.877 21.08336 20.02682 
1 1 1  -16   29   18 o  117.948   12.509   40.456   7.9723   40.546   11.251   40.365   11.299  118.109   17.628  117.787   17.752 0.3220139 25.01756 
1 1 1  -16   29   19 o   46.195   14.514  -1.7370   7.3077   0.6668   10.192  -4.2802   10.483   48.413   21.010   43.978   20.030 4.434921 29.02793 
1 1 1  -16   29   20 o  111.976   13.319   37.474   7.8048   31.523   10.882   43.777   11.200  101.154   20.608  122.799   16.879 -21.64493 26.63812 
1 1 1  -16   29   21 o   56.376   15.646   5.3282   7.3306  -1.2900   9.8727   13.460   10.944   45.410   20.157   67.341   23.934 -21.93114 31.29113 
1 1 1  -16   29   22 o   75.067   16.854   17.718   7.9149   23.199   11.222   12.291   11.165   84.737   23.622   65.398   24.048 19.33878 33.70892 
1 1 1  -16   29   23 f   96.856   15.333   29.371   8.1453   40.054   11.785   19.600   11.271  115.950   18.808   77.762   24.222 38.18844 30.66669 
1 1 1  -16   29   24 o   67.256   16.586   13.414   7.6808   18.737   10.820   8.0066   10.905   76.130   23.736   58.383   23.172 17.74678 33.17117 
1 1 1  -16   29   25 o  143.471   11.137   59.540   8.5472   71.139   12.455   49.216   11.751  157.307   14.652  129.635   16.775 27.67119 22.27301 
1 1 1  -16   29   26 o  186.374   9.2252   98.360   9.2494  111.600   13.428   86.406   12.759  198.641   12.510  174.106   13.562 24.53510 18.45037 
1 1 1  -16   29   27 o   80.673   16.520   21.157   8.1151   30.016   11.449   12.211   11.504   96.515   22.386   64.831   24.300 31.68382 33.04030 
1 1 1  -16   29   28 o   93.066   16.517   28.690   8.2933   28.085   11.931   29.256   11.536   91.733   23.848   94.398   22.858 -2.664673 33.03400 
1 1 1  -16   29   29 f   71.025   15.817   14.321   8.2109  -0.7707   11.741   28.765   11.487   48.725   21.781   93.324   22.940 -44.59882 31.63352 
1 1 1  -16   29   30 o   52.516   15.250   1.4152   7.8552 -10.6030   11.142   13.290   11.076   39.592   18.863   65.440   23.968 -25.84756 30.50071 
1 1 1  -16   29   31 o   52.632   15.727   4.7625   7.7166   6.5110   10.918   3.0175   10.908   54.736   22.643   50.529   21.831 4.206474 31.45334 
1 1 1  -16   29   32 o   57.761   16.228   7.3606   8.2529  -2.1903   11.778   16.574   11.568   46.387   21.168   69.135   24.603 -22.74770 32.45583 
1 1 1  -16   29   33 o   72.753   15.946   17.051   8.2173   2.6960   11.943   29.957   11.324   51.464   22.531   94.041   22.571 -42.57787 31.89167 
1 1 1  -16   29   34 o  115.687   14.517   45.065   8.4500   27.238   12.372   60.654   11.569   87.956   24.903  143.418   14.928 -55.46235 29.03476 
1 1 1  -16   29   35 o   71.938   21.058   9.6312   13.239   37.297   23.220  -3.6937   16.114   91.631   34.488   52.245   24.174 39.38506 42.11641 
1 1 1  -16   29   36 o   70.618   20.860   19.054   12.991   23.198   21.039   16.500   16.515   73.830   31.051   67.405   27.863 6.425453 41.71941 
1 1 1  -16   29   37 o   45.795   15.987 -18.0841   13.867 -22.7703   23.221 -15.4865   17.288   47.578   23.614   44.011   21.557 3.566929 31.97356 
1 1 1  -16   29   38 o   50.998   16.563   0.6677   10.380   2.8671   13.403  -2.6284   16.407   51.316   23.080   50.680   23.761 0.6360397 33.12511 
1 1 1  -16   29   39 o   66.106   18.988   16.219   10.329   11.649   13.046   23.896   16.908   59.277   24.655   72.935   28.883 -13.65772 37.97525 
1 1 1  -16   29   40 o  103.128   19.898   46.994   11.320   44.640   14.973   50.135   17.293  102.465   26.753  103.790   29.463 -1.324974 39.79688 
1 1 1  -16   30    1 o  173.796   9.0241   84.414   8.4625   79.177   11.625   90.319   12.343  168.058   12.801  179.533   12.723 -11.47552 18.04812 
1 1 1  -16   30    2 o   50.611   15.137   2.4166   7.1198   1.7738   9.7248   3.1591   10.452   49.041   20.889   52.182   21.913 -3.141220 30.27432 
1 1 1  -16   30    3 o  127.345   16.150   46.436   11.113   0.0000   0.0000   46.436   11.113  ?   ?   127.345   16.150      ?      ? 
1 1 1  -16   30    4 o   76.865   16.404   18.106   7.3151   16.369   9.6029   20.509   11.291   72.994   22.295   80.736   24.068 -7.742203 32.80813 
1 1 1  -16   30    5 o  210.265   8.2327  123.301   9.3446  128.251   13.135  118.229   13.297  214.716   11.321  205.814   11.956 8.901474 16.46536 
1 1 1  -16   30    6 o  141.115   10.495   56.559   7.9999   54.666   11.259   58.489   11.369  138.643   15.028  143.587   14.653 -4.943634 20.98935 
1 1 1  -16   30    7 f   80.167   16.515   19.890   7.6051   16.701   10.246   23.803   11.349   73.566   23.123   86.767   23.587 -13.20136 33.03049 
1 1 1  -16   30    8 o  158.393   9.9327   70.965   8.4688   70.857   11.491   71.093   12.529  158.576   13.410  158.210   14.656 0.3663635 19.86534 
1 1 1  -16   30    9 o   59.429   16.164   8.6014   7.3051   8.7352   10.005   8.4487   10.692   59.225   22.556   59.632   23.159 -0.4075050 32.32830 
1 1 1  -16   30   10 o   96.883   14.626   29.123   7.4091   31.951   10.088   25.811   10.917  103.109   18.798   90.657   22.413 12.45212 29.25233 
1 1 1  -16   30   11 o  143.170   19.994   55.515   10.923   87.297   29.863   50.605   11.737  153.883   36.471  132.458   16.398 21.42497 39.98740 
1 1 1  -16   30   12 o   78.155   21.662   14.765   10.494   27.320   26.090   12.342   11.462   90.188   35.828   66.122   24.358 24.06612 43.32333 
1 1 1  -16   30   13 o  113.863   18.930   36.826   9.7844   31.911   10.978   55.811   21.577  101.755   20.671  125.970   31.718 -24.21577 37.85922 
1 1 1  -16   30   14 o   98.528   17.031   38.404   9.2932   45.559   10.368   9.1667   20.959  126.027   15.225   71.028   30.471 54.99815 34.06253 
1 1 1  -16   30   15 o  152.715   14.662   66.696   12.099   0.0000   0.0000   66.696   12.099  ?   ?   152.715   14.662      ?      ? 
1 1 1  -16   30   16 o  121.870   13.035   44.597   8.2643   37.128   11.703   52.025   11.672  109.740   20.489  133.999   16.119 -24.25900 26.06983 
1 1 1  -16   30   17 o  157.741   10.281   71.281   8.7491   66.189   12.252   76.578   12.498  151.742   14.943  163.740   14.125 -11.99861 20.56189 
1 1 1  -16   30   18 o   69.381   16.974   14.610   7.8948   10.434   10.997   19.051   11.341   62.102   23.649   76.660   24.355 -14.55811 33.94751 
1 1 1  -16   30   19 o   49.382   15.222   0.8615   7.6633   2.4705   10.626  -0.8823   11.062   50.794   21.741   47.971   21.313 2.823299 30.44482 
1 1 1  -16   30   20 o  136.888   11.298   54.857   8.2742   47.445   11.850   61.908   11.558  126.984   17.270  146.792   14.571 -19.80817 22.59584 
1 1 1  -16   30   21 o   55.293   15.863   5.5487   7.5138   1.6195   10.318   9.9859   10.964   49.251   21.256   61.335   23.552 -12.08416 31.72589 
1 1 1  -16   30   22 o   54.901   15.639   4.3278   7.4398  -2.1187   9.9151   12.634   11.255   44.299   19.894   65.502   24.135 -21.20229 31.27756 
1 1 1  -16   30   23 o  115.212   13.882   40.758   8.4636   40.202   12.081   41.294   11.861  113.344   20.478  117.080   18.748 -3.735931 27.76376 
1 1 1  -16   30   24 o   77.464   16.893   19.998   7.9263   24.194   11.104   15.638   11.318   85.266   23.393   69.661   24.378 15.60501 33.78648 
1 1 1  -16   30   25 o   57.747   15.807   7.5044   7.5857   14.735   10.444  -0.5697   11.036   67.857   23.436   47.637   21.219 20.21960 31.61449 
1 1 1  -16   30   26 o   42.880   14.011  -5.1491   7.6190  -4.4135   10.548  -5.9516   11.017   43.031   19.783   42.729   19.846 0.3019981 28.02242 
1 1 1  -16   30   27 o   73.591   16.950   18.460   7.7530   17.269   11.239   19.542   10.709   71.442   24.323   75.741   23.613 -4.298660 33.89969 
1 1 1  -16   30   28 o   63.366   15.446   9.6339   7.9093   24.672   11.175  -5.4608   11.196   83.996   23.628   42.735   19.901 41.26165 30.89280 
1 1 1  -16   30   29 o   54.174   16.015   6.1080   7.8872   3.7004   11.088   8.5737   11.221   51.121   22.049   57.227   23.232 -6.106335 32.02954 
1 1 1  -16   30   30 o   55.242   16.284   6.5557   8.0714   7.0170   11.554   6.1161   11.280   55.958   23.232   54.526   22.823 1.431873 32.56730 
1 1 1  -16   30   31 o   81.544   16.269   22.637   8.2575   34.039   11.602   10.934   11.755  101.604   21.786   61.485   24.167 40.11921 32.53775 
1 1 1  -16   30   32 o   53.163   25.660 -15.7860   22.165 -15.7860   22.165   0.0000   0.0000   53.163   25.660  ?   ?       ?      ? 
1 1 1  -16   30   33 o   99.717   22.579   46.235   13.912   43.198   21.496   48.423   18.250   93.049   33.493  106.385   30.290 -13.33567 45.15865 
1 1 1  -16   30   35 o   44.926   21.440  -8.2275   14.521  -8.2275   14.521   0.0000   0.0000   44.926   21.440  ?   ?       ?      ? 
1 1 1  -16   30   36 o   48.474   15.982  -3.7978   10.699   4.4640   13.667 -16.8761   17.195   52.740   23.543   44.207   21.620 8.533241 31.96428 
1 1 1  -16   30   37 o   43.476   14.790  -7.8367   10.104  -5.1261   12.842 -12.2410   16.370   43.088   20.449   43.865   21.374 -0.7768936 29.58065 
1 1 1  -16   31    1 f   40.149   13.135  -5.8970   6.7239  -7.4741   9.2713  -4.1471   9.7661   38.092   17.860   42.206   19.266 -4.114212 26.27053 
1 1 1  -16   31    2 o  112.747   12.936   37.616   7.6788   33.115   10.361   43.100   11.437  104.292   19.089  121.203   17.462 -16.91092 25.87154 
1 1 1  -16   31    3 f  100.768   14.698   31.729   7.7237   33.898   10.621   29.295   11.252  105.375   19.367   96.161   22.115 9.213440 29.39679 
1 1 1  -16   31    4 o   48.470   14.976   0.4195   7.4429   1.6956   10.282  -0.9853   10.788   49.438   21.278   47.503   21.078 1.934994 29.95114 
1 1 1  -16   31    5 o  164.382   9.3304   77.262   8.1713   91.053   11.522   63.310   11.590  180.021   11.845  148.743   14.419 31.27800 18.66070 
1 1 1  -16   31    6 o  131.876   11.118   50.328   7.8941   50.495   10.740   50.131   11.642  132.507   15.000  131.246   16.415 1.260910 22.23653 
1 1 1  -16   31    7 o  107.871   14.176   35.441   8.0074   27.154   10.981   44.852   11.702   92.269   22.276  123.473   17.539 -31.20343 28.35204 
1 1 1  -16   31    8 o   65.754   16.782   12.808   7.6382   13.227   10.497   12.336   11.136   66.300   23.453   65.208   24.010 1.091560 33.56404 
1 1 1  -16   31    9 o   46.776   14.557  -1.1973   7.3768   3.8645   9.9998  -7.2405   10.926   51.466   21.511   42.085   19.619 9.381844 29.11418 
1 1 1  -16   31   10 o   57.713   15.892   7.9515   7.3172   11.383   9.7996   3.6279   11.000   62.603   22.603   52.824   22.347 9.779247 31.78495 
1 1 1  -16   31   11 o   71.468   16.951   16.156   7.8655   19.542   10.791   12.317   11.489   77.632   23.617   65.304   24.322 12.32755 33.90157 
1 1 1  -16   31   12 o   47.040   16.406 -13.8951   10.021 -39.5721   28.462 -10.2615   10.707   54.759   26.986   39.322   18.664 15.43731 32.81189 
1 1 1  -16   31   13 o   49.232   16.876 -10.1388   9.9302 -24.4369   26.222  -7.7449   10.729   57.237   27.694   41.226   19.292 16.01093 33.75153 
1 1 1  -16   31   14 o  105.537   19.531   34.571   9.8197   31.376   11.102   46.059   21.050   99.884   21.223  111.190   32.794 -11.30576 39.06214 
1 1 1  -16   31   15 o   69.545   19.394   12.535   9.0737   11.702   10.084   16.077   20.798   63.308   22.918   75.782   31.292 -12.47454 38.78713 
1 1 1  -16   31   16 o   80.507   16.051   21.364   7.6610   27.912   10.389   13.558   11.343   94.025   20.979   66.989   24.298 27.03633 32.10185 
1 1 1  -16   31   17 o  152.071   10.343   66.511   8.4799   61.272   11.579   72.570   12.453  145.579   14.719  158.563   14.534 -12.98384 20.68596 
1 1 1  -16   31   18 o  144.088   10.988   59.667   8.4422   47.927   11.245   74.830   12.780  127.553   16.315  160.622   14.724 -33.06837 21.97657 
1 1 1  -16   31   19 o  116.901   13.718   42.806   8.2524   47.119   11.022   37.303   12.449  126.443   16.131  107.358   22.193 19.08472 27.43633 
1 1 1  -16   31   20 o   51.344   15.345   1.4869   7.6242  -5.3718   10.202   10.164   11.475   41.531   19.222   61.156   23.925 -19.62493 30.69068 
1 1 1  -16   31   21 o   67.625   17.063   14.361   7.9692   10.976   11.149   17.897   11.396   61.972   23.761   73.277   24.494 -11.30494 34.12541 
1 1 1  -16   31   22 o   52.954   15.400   1.4730   7.9871 -10.4367   11.165   13.958   11.431   39.611   18.875   66.297   24.340 -26.68682 30.80036 
1 1 1  -16   31   23 o  156.851   10.425   72.556   8.8348   71.391   12.415   73.752   12.575  155.550   14.771  158.152   14.714 -2.601761 20.84909 
1 1 1  -16   31   24 o   55.714   16.427   7.1153   8.2194   6.8227   11.607   7.4096   11.641   55.337   23.156   56.092   23.307 -0.7555313 32.85403 
1 1 1  -16   31   25 o   70.236   15.637   15.186   8.1399   29.022   11.146  -0.6285   11.916   92.364   22.532   48.108   21.688 44.25595 31.27390 
1 1 1  -16   31   26 o   46.617   14.978  -2.0696   8.2134  -3.1091   11.288  -0.9003   11.973   45.044   20.619   48.191   21.731 -3.147083 29.95622 
1 1 1  -16   31   27 o  102.513   15.426   35.295   8.4887   45.166   11.773   24.605   12.251  121.579   17.920   83.447   25.115 38.13203 30.85275 
1 1 1  -16   31   28 o   60.962   16.820   10.664   8.2506   14.689   11.019   5.5271   12.448   66.637   23.980   55.287   23.594 11.35017 33.64100 
1 1 1  -16   31   29 o   91.440   19.374   30.781   10.086   24.748   12.656   41.284   16.698   81.181   25.722  101.699   28.980 -20.51855 38.74870 
1 1 1  -16   31   33 o   46.184   15.579 -10.5502   10.158 -20.2950   12.712   6.6644   16.895   35.738   17.690   56.630   25.650 -20.89205 31.15875 
1 1 1  -16   31   34 o   66.547   18.185   19.071   9.3233   21.890   13.387   16.416   12.992   70.109   26.226   62.986   25.197 7.123020 36.36916 
1 1 1  -16   32    1 o   69.394   16.467   15.207   7.2798   14.048   10.007   16.511   10.610   67.114   22.951   71.674   23.621 -4.559914 32.93480 
1 1 1  -16   32    2 o   46.426   14.484  -0.9813   7.1633  -4.5890   9.7484   3.2533   10.561   41.473   19.049   51.378   21.824 -9.905476 28.96824 
1 1 1  -16   32    3 o  133.822   11.684   52.829   8.3640   54.785   11.230   50.391   12.534  137.491   15.115  130.153   17.822 7.337479 23.36856 
1 1 1  -16   32    4 o   67.121   16.777   13.938   7.6973   16.432   10.367   10.875   11.491   71.496   23.339   62.746   24.107 8.750065 33.55387 
1 1 1  -16   32    5 o  114.087   13.730   40.364   8.0945   43.770   10.803   36.004   12.222  122.101   16.374  106.073   22.043 16.02767 27.45916 
1 1 1  -16   32    6 o   68.523   16.586   14.826   7.6308   18.792   10.270   9.9383   11.401   75.858   23.032   61.188   23.873 14.67022 33.17239 
1 1 1  -16   32    7 o  136.987   11.216   55.468   8.1994   61.718   11.272   48.444   11.949  146.279   14.261  127.694   17.317 18.58551 22.43297 
1 1 1  -16   32    8 o   73.398   16.546   16.988   8.0053   25.902   11.319   8.0669   11.323   88.458   23.341   58.337   23.458 30.12149 33.09169 
1 1 1  -16   32    9 o   46.308   14.634  -2.2442   7.7425   3.2337   10.480  -8.8277   11.489   50.913   21.686   41.703   19.656 9.210339 29.26803 
1 1 1  -16   32   10 o   65.240   16.457   10.853   7.7248   3.2176   10.030   21.986   12.111   50.079   21.270   80.400   25.119 -30.32103 32.91491 
1 1 1  -16   32   11 o   60.866   16.190   9.3488   7.8518   17.082   10.838   0.8060   11.391   72.061   23.880   49.670   21.868 22.39040 32.37990 
1 1 1  -16   32   12 o   39.329   13.183  -9.2590   7.4208  -9.7843   9.8657  -8.5747   11.261   37.333   17.777   41.325   19.472 -3.991379 26.36615 
1 1 1  -16   32   13 o   56.797   18.818  -5.0317   10.480   8.8806   25.533  -7.8502   11.492   71.262   31.969   42.331   19.859 28.93162 37.63521 
1 1 1  -16   32   14 o   57.366   18.864  -0.2794   10.496  -4.7725   28.053   0.4518   11.317   65.623   30.864   49.109   21.700 16.51350 37.72881 
1 1 1  -16   32   15 o   67.500   19.124   9.0933   9.5522   3.2594   11.062   26.194   18.939   51.551   22.127   83.448   31.199 -31.89773 38.24842 
1 1 1  -16   32   16 o   97.739   19.202   37.634   10.600   41.543   12.211   25.676   21.355  113.896   20.599   81.582   32.412 32.31427 38.40397 
1 1 1  -16   32   17 o   54.854   16.128   5.6462   8.1947   11.234   11.323  -0.5007   11.875   61.356   23.832   48.352   21.738 13.00438 32.25674 
1 1 1  -16   32   18 o   66.179   17.001   14.039   8.3144   20.975   11.627   6.7821   11.894   76.689   24.692   55.670   23.376 21.01925 34.00214 
1 1 1  -16   32   19 o   37.617   12.849 -17.2264   8.3034  -4.0888   11.276 -32.7915   12.273   43.911   20.283   31.324   15.778 12.58724 25.69742 
1 1 1  -16   32   20 o   70.777   17.775   17.405   8.5457   16.256   12.057   18.565   12.114   68.943   25.044   72.611   25.231 -3.668167 35.55016 
1 1 1  -16   32   21 o   56.222   16.261   5.3924   8.1768  -1.8898   10.898   14.775   12.369   45.404   20.580   67.040   25.184 -21.63565 32.52301 
1 1 1  -16   32   22 o  116.140   17.023   43.916   9.8663   39.468   12.048   52.973   17.191  110.302   20.980  121.978   26.813 -11.67588 34.04576 
1 1 1  -16   32   23 o  103.648   18.190   38.994   10.069   41.996   12.703   33.919   16.515  113.367   21.523   93.928   29.330 19.43837 36.38002 
1 1 1  -16   32   24 o   49.693   16.080  -2.2395   9.7782   2.2295   12.362  -9.7095   15.982   51.414   22.701   47.972   22.780 3.442604 32.15976 
1 1 1  -16   32   25 o   52.220   16.824  -0.7222   10.318  -7.5360   13.334   9.4482   16.290   44.091   20.899   60.349   26.370 -16.25868 33.64727 
1 1 1  -16   32   26 o   50.765   16.373   2.5617   9.6766   0.6786   12.337   5.5721   15.599   47.225   21.594   54.304   24.617 -7.079208 32.74632 
1 1 1  -16   32   27 o   53.877   25.013   2.7725   17.468   0.0000   0.0000   2.7725   17.468  ?   ?    53.877   25.013      ?      ? 
1 1 1  -16   32   30 o   49.903   16.278   1.9136   10.113   6.0518   11.837  -9.2725   19.461   51.172   22.416   48.634   23.609 2.537121 32.55512 
1 1 1  -16   32   31 o   77.596   17.771   25.689   8.6448   21.048   12.046   30.618   12.414   69.834   25.079   85.358   25.186 -15.52479 35.54290 
1 1 1  -16   33    1 o   46.153   13.842  -2.6115   6.2156   11.277   10.571  -9.9509   7.6844   60.994   23.196   31.313   15.112 29.68099 27.68439 
1 1 1  -16   33    2 o   47.608   14.635   0.5428   7.4503   6.8195   9.8111  -8.0067   11.450   53.673   21.746   41.543   19.593 12.13016 29.27065 
1 1 1  -16   33    3 o   86.054   16.176   24.086   7.6924   17.484   9.9169   34.058   12.189   71.805   22.771  100.303   22.981 -28.49812 32.35156 
1 1 1  -16   33    4 o  126.937   12.590   48.563   8.4914   45.017   10.914   54.000   13.516  122.204   16.528  131.669   18.996 -9.464996 25.18012 
1 1 1  -16   33    5 o  102.919   23.713   36.384   12.916   0.0000   0.0000   36.384   12.916  ?   ?   102.919   23.713      ?      ? 
1 1 1  -16   33    6 o  131.853   12.387   52.235   8.6513   48.344   11.044   58.415   13.918  126.807   16.117  136.898   18.815 -10.09090 24.77440 
1 1 1  -16   33    7 o   87.324   16.851   27.772   8.8952   37.814   11.996   15.503   13.259  106.830   21.524   67.817   25.933 39.01272 33.70161 
1 1 1  -16   33    8 o   49.336   15.348  -0.2603   8.5992   8.0586   10.977 -13.4778   13.836   56.289   22.929   42.384   20.410 13.90568 30.69693 
1 1 1  -16   33    9 o   43.490   14.303  -8.9044   8.8071   2.3094   11.473 -24.9954   13.743   50.119   22.009   36.861   18.273 13.25784 28.60539 
1 1 1  -16   33   10 o   38.729   13.258 -13.8595   8.4830  -9.6775   10.791 -20.6238   13.724   38.809   18.510   38.649   18.986 0.1604691 26.51641 
1 1 1  -16   33   11 o   52.316   15.939   2.0703   8.7935   10.640   11.833  -8.5000   13.142   60.495   24.098   44.138   20.870 16.35735 31.87873 
1 1 1  -16   33   12 o   48.333   15.795  -4.2859   8.9463  -7.4329   10.862   2.3514   15.775   40.648   19.144   56.018   25.129 -15.36944 31.59099 
1 1 1  -16   33   13 o   53.418   16.878   0.6182   9.3185  -2.9238   11.343   7.9730   16.345   45.248   20.696   61.587   26.666 -16.33836 33.75538 
1 1 1  -16   33   14 o   45.436   21.788 -13.2365   15.390   0.0000   0.0000 -13.2365   15.390  ?   ?    45.436   21.788      ?      ? 
1 1 1  -16   33   15 o   68.373   27.890   14.493   16.269   0.0000   0.0000   14.493   16.269  ?   ?    68.373   27.890      ?      ? 
1 1 1  -16   33   16 o   71.766   26.933   17.698   14.141   17.698   14.141   0.0000   0.0000   71.766   26.933  ?   ?       ?      ? 
1 1 1  -16   33   17 o  121.065   24.455   50.135   15.448   50.135   15.448   0.0000   0.0000  121.065   24.455  ?   ?       ?      ? 
1 1 1  -16   33   18 o   53.691   17.031   1.2663   10.345   5.1914   13.374  -4.5811   16.324   55.731   24.126   51.650   24.046 4.081043 34.06290 
1 1 1  -16   33   19 o  130.616   17.068   60.957   11.435   70.270   15.285   49.122   17.231  148.587   19.037  112.644   28.335 35.94284 34.13604 
1 1 1  -16   33   20 o   66.999   18.888   16.743   10.104   12.606   12.961   23.153   16.134   60.815   24.860   73.183   28.442 -12.36817 37.77499 
1 1 1  -16   33   21 o  111.535   17.887   52.562   11.052   64.099   14.334   35.653   17.353  137.834   19.246   85.236   30.155 52.59721 35.77340 
1 1 1  -16   33   22 o  104.446   17.944   46.309   11.226   61.847   15.110   27.162   16.773  133.230   20.988   75.661   29.112 57.56892 35.88883 
1 1 1  -16   33   23 o   49.182   15.743   1.2717   8.9981  -0.4137   12.656   2.9948   12.796   47.638   21.816   50.726   22.703 -3.087936 31.48544 
1 1 1  -16   33   24 o   93.947   21.856   40.825   12.650   42.095   24.677   40.372   14.732   86.618   34.700  101.275   26.584 -14.65692 43.71245 
1 1 1  -16   33   25 o   50.762   17.216  -8.5775   14.217 -28.0631   22.533   4.3086   18.324   45.869   22.847   55.655   25.760 -9.786007 34.43231 
1 1 1  -16   33   26 o   69.364   21.089   14.078   15.198   54.617   24.653 -10.7725   19.302   91.154   35.232   47.573   23.188 43.58091 42.17767 
1 1 1  -16   34    1 o   50.434   15.755  -2.6141   9.4159   9.5000   12.338 -19.5113   14.571   59.913   24.346   40.956   20.003 18.95724 31.50930 
1 1 1  -16   34    2 o   61.452   17.669   6.2990   9.5679  -3.3063   12.283   21.119   15.258   46.725   21.432   76.178   28.096 -29.45276 35.33777 
1 1 1  -16   34    3 o  176.270   12.572   97.064   11.576  110.293   15.441   80.090   17.491  193.484   14.769  159.057   20.350 34.42685 25.14441 
1 1 1  -16   34    4 f   98.487   17.090   35.662   10.763   54.505   14.480   12.401   16.088  131.077   20.443   65.898   27.392 65.17927 34.17924 
1 1 1  -16   34    5 o   63.698   18.493   9.6299   9.9021   4.3176   12.340   19.236   16.594   53.826   23.238   73.570   28.774 -19.74371 36.98615 
1 1 1  -16   34    6 o   43.697   15.165 -27.0020   11.288 -41.6216   14.428  -3.9347   18.123   32.871   16.623   54.524   25.368 -21.65331 30.32933 
1 1 1  -16   34    7 o   41.064   14.562 -35.1885   12.039 -44.0541   15.096 -19.6937   19.957   33.339   16.877   48.790   23.735 -15.45008 29.12390 
1 1 1  -16   34    8 o   61.444   19.271   4.3277   12.399  -3.4572   15.636   17.520   20.354   51.273   23.755   71.615   30.352 -20.34226 38.54282 
1 1 1  -16   34    9 f   46.483   15.517 -10.6480   10.865   0.9345   13.367 -33.1982   18.651   51.239   23.047   41.727   20.785 9.511932 31.03489 
1 1 1  -16   34   10 o   46.364   15.354 -10.6214   10.599   4.2162   13.591 -33.6487   16.932   53.960   23.815   38.769   19.387 15.19103 30.70846 
1 1 1  -16   34   11 o   43.924   14.856 -10.8310   10.264  -2.6757   12.914 -24.8198   16.914   46.618   21.595   41.231   20.409 5.387882 29.71282 
1 1 1  -16   34   12 o   49.764   16.311  -1.1001   10.138  -4.7613   12.993   4.5991   16.211   44.610   20.988   54.918   24.973 -10.30847 32.62107 
1 1 1  -16   34   13 o   59.232   17.331   11.437   9.2615   18.245   13.475   5.3395   12.751   66.633   25.966   51.830   22.961 14.80295 34.66175 
1 1 1  -16   34   14 o   75.973   16.962   20.519   9.7027   42.793   14.234   1.1850   13.261  103.442   25.603   48.505   22.256 54.93666 33.92399 
1 1 1  -16   34   15 o   56.170   16.827   5.8005   11.195 -40.5856   23.286   19.744   12.767   43.248   21.778   69.093   25.658 -25.84506 33.65373 
1 1 1  -16   34   16 o   52.943   17.378   1.9187   10.907  -4.4685   22.686   3.8388   12.438   55.039   26.409   50.847   22.595 4.192974 34.75530 
1 1 1  -16   34   17 o  100.119   18.017   43.728   10.512   49.906   12.297   26.959   20.258  124.419   18.291   75.818   31.047 48.60075 36.03385 
1 1 1  -16   34   18 o   52.630   17.215   1.8144   10.008   2.1520   11.296   0.5820   21.581   48.123   21.449   57.138   26.933 -9.014862 34.43028 
1 1 1  -16   34   19 o  103.317   16.309   39.477   8.8704   42.574   12.018   35.769   13.147  110.722   20.852   95.912   25.083 14.80978 32.61800 
1 1 1  -16   34   20 o   91.766   15.071   33.261   8.7768   51.489   11.956   11.958   12.925  125.222   17.669   58.311   24.421 66.91100 30.14260 
1 1 1  -16   34   21 o   60.502   19.895   12.689   15.308   17.815   25.001   9.6149   19.361   63.324   29.573   57.680   26.621 5.643559 39.78999 
1 1 1  -16   35    1 o   57.965   15.383   11.185   6.5111   10.155   10.194   11.895   8.4619   56.747   22.442   59.183   21.045 -2.436005 30.76553 
1 1 1  -16   35    2 f   66.906   14.809   10.362   6.8509   31.779   11.728  -0.7329   8.4408   93.317   23.322   40.495   18.255 52.82222 29.61703 
1 1 1  -16   35    3 o   64.915   14.383   8.6665   6.8107   30.721   11.330  -3.8110   8.5222   92.209   22.854   37.621   17.468 54.58797 28.76519 
1 1 1  -16   35    4 o   47.603   14.989   0.9907   7.8185  -3.4892   10.471   6.6349   11.753   41.789   19.389   53.416   22.864 -11.62730 29.97806 
1 1 1  -16   35    5 o   47.965   14.251   1.0186   7.4798   11.948   9.5360 -16.4570   12.059   59.328   22.146   36.601   17.943 22.72758 28.50290 
1 1 1  -16   35    6 o   97.183   16.749   34.681   8.6482   34.569   11.361   34.835   13.336   99.226   21.785   95.140   25.446 4.085846 33.49730 
1 1 1  -16   35    7 o   58.347   16.391   10.957   8.0112   14.816   10.442   5.4372   12.490   63.958   23.296   52.735   23.065 11.22350 32.78254 
1 1 1  -16   35    8 o   59.988   16.219   9.0321   8.2858  -2.8075   11.213   23.273   12.298   43.443   20.123   76.533   25.441 -33.09077 32.43732 
1 1 1  -16   35    9 o   79.952   16.901   25.345   8.4679   32.807   11.393   16.132   12.658   95.020   22.531   64.884   25.199 30.13611 33.80245 
1 1 1  -16   35   10 o   52.341   15.726   4.1717   8.7026   15.347   11.780  -9.2540   12.912   63.352   24.391   41.331   19.856 22.02138 31.45128 
1 1 1  -16   35   11 o   41.345   13.990  -8.2014   8.9587  -3.9045   11.948 -13.7187   13.539   42.989   20.194   39.701   19.366 3.287834 27.97923 
1 1 1  -16   35   12 o   59.319   17.219   12.945   9.0501   16.927   12.320   8.2787   13.338   64.300   24.892   54.338   23.799 9.961967 34.43806 
1 1 1  -16   35   13 o   51.410   15.820   6.5158   8.1488   3.8897   10.784   10.011   12.441   47.541   21.086   55.280   23.589 -7.739048 31.63951 
1 1 1  -16   35   14 o   39.308   13.363  -8.6039   8.1311 -12.5902   10.722  -3.2073   12.475   35.039   17.123   43.577   20.522 -8.537903 26.72683 
1 1 1  -15    0    1 o  306.338   4.4325  253.925   10.367  253.925   10.367  253.925   10.367  306.338   6.2685  306.338   6.2685 0.000000 0.000000 
1 1 1  -15    0    2 o  801.947   9.7468  1741.08   59.693  1741.08   59.693  1741.08   59.693  801.947   13.784  801.947   13.784 0.000000 0.000000 
1 1 1  -15    0    3 o  248.807   3.9896  167.545   7.5768  167.545   7.5768  167.545   7.5768  248.807   5.6421  248.807   5.6421 0.000000 0.000000 
1 1 1  -15    0    4 o   74.054   4.8146   15.193   2.6717   15.193   2.6717   15.193   2.6717   74.054   6.8089   74.054   6.8089 0.000000 0.000000 
1 1 1  -15    0    5 o  123.774   3.7123   41.622   3.4970   41.622   3.4970   41.622   3.4970  123.774   5.2500  123.774   5.2500 0.000000 0.000000 
1 1 1  -15    0    6 o  990.525   11.922  2657.72   90.186  2657.72   90.186  2657.72   90.186  990.525   16.860  990.525   16.860 0.000000 0.000000 
1 1 1  -15    0    7 o  165.159   3.6316   73.924   4.5735   73.924   4.5735   73.924   4.5735  165.159   5.1358  165.159   5.1358 0.000000 0.000000 
1 1 1  -15    0    8 o   86.009   4.4949   20.317   2.9173   20.317   2.9173   20.317   2.9173   86.009   6.3568   86.009   6.3568 0.000000 0.000000 
1 1 1  -15    0    9 o  533.078   6.7713  768.972   27.564  768.972   27.564  768.972   27.564  533.078   9.5760  533.078   9.5760 0.000000 0.000000 
1 1 1  -15    0   10 o   65.036   6.0939   12.021   2.8803   12.021   2.8803   12.021   2.8803   65.036   8.6180   65.036   8.6180 0.000000 0.000000 
1 1 1  -15    0   11 o   51.200   8.2101   8.0878   2.8009   8.0878   2.8009   8.0878   2.8009   51.200   11.611   51.200   11.611 0.000000 0.000000 
1 1 1  -15    0   12 o   56.724   7.3841   9.5325   2.8810   9.5325   2.8810   9.5325   2.8810   56.724   10.443   56.724   10.443 0.000000 0.000000 
1 1 1  -15    0   13 o  346.154   7.0436  324.775   18.597  324.775   18.597  324.775   18.597  346.154   9.9611  346.154   9.9611 0.000000 0.000000 
1 1 1  -15    0   16 o  1078.78   12.974  3154.25  106.883  3154.25  106.883  3154.25  106.883  1078.78   18.347  1078.78   18.347 0.000000 0.000000 
1 1 1  -15    0   17 o  566.077   7.1859  867.210   31.063  867.210   31.063  867.210   31.063  566.077   10.162  566.077   10.162 0.000000 0.000000 
1 1 1  -15    0   18 o  130.722   4.4459   46.501   4.4179   46.501   4.4179   46.501   4.4179  130.722   6.2875  130.722   6.2875 0.000000 0.000000 
1 1 1  -15    0   19 o  1629.65   19.419  7214.97  241.678  7214.97  241.678  7214.97  241.678  1629.65   27.462  1629.65   27.462 0.000000 0.000000 
1 1 1  -15    0   20 o  280.236   4.5809  212.570   9.7983  212.570   9.7983  212.570   9.7983  280.236   6.4783  280.236   6.4783 0.000000 0.000000 
1 1 1  -15    0   21 o  758.588   9.3303  1557.61   54.052  1557.61   54.052  1557.61   54.052  758.588   13.195  758.588   13.195 0.000000 0.000000 
1 1 1  -15    0   22 o  119.987   5.1417   39.335   4.6750   39.335   4.6750   39.335   4.6750  119.987   7.2715  119.987   7.2715 0.000000 0.000000 
1 1 1  -15    0   23 o  189.827   4.5741   97.716   6.6180   97.716   6.6180   97.716   6.6180  189.827   6.4688  189.827   6.4688 0.000000 0.000000 
1 1 1  -15    0   24 o   94.746   6.4223   24.924   4.5518   24.924   4.5518   24.924   4.5518   94.746   9.0825   94.746   9.0825 0.000000 0.000000 
1 1 1  -15    0   25 o  468.690   6.2774  594.336   22.466  594.336   22.466  594.336   22.466  468.690   8.8776  468.690   8.8776 0.000000 0.000000 
1 1 1  -15    0   26 o  619.995   7.8516  1040.06   37.174  1040.06   37.174  1040.06   37.174  619.995   11.104  619.995   11.104 0.000000 0.000000 
1 1 1  -15    0   27 f  825.446   10.121  1844.16   63.799  1844.16   63.799  1844.16   63.799  825.446   14.313  825.446   14.313 0.000000 0.000000 
1 1 1  -15    0   28 o  487.810   6.5639  643.864   24.449  643.864   24.449  643.864   24.449  487.810   9.2828  487.810   9.2828 0.000000 0.000000 
1 1 1  -15    0   29 o  566.481   7.3993  868.325   32.007  868.325   32.007  868.325   32.007  566.481   10.464  566.481   10.464 0.000000 0.000000 
1 1 1  -15    0   30 o  303.728   5.2708  249.758   12.217  249.758   12.217  249.758   12.217  303.728   7.4540  303.728   7.4540 0.000000 0.000000 
1 1 1  -15    0   31 o  1392.77   16.662  5259.91  177.222  5259.91  177.222  5259.91  177.222  1392.77   23.563  1392.77   23.563 0.000000 0.000000 
1 1 1  -15    0   32 o  236.033   5.4955  151.063   9.8882  151.063   9.8882  151.063   9.8882  236.033   7.7718  236.033   7.7718 0.000000 0.000000 
1 1 1  -15    0   33 o  370.733   5.8174  372.049   16.463  372.049   16.463  372.049   16.463  370.733   8.2271  370.733   8.2271 0.000000 0.000000 
1 1 1  -15    0   35 o  188.761   6.6913   97.048   9.5969   97.048   9.5969   97.048   9.5969  188.761   9.4630  188.761   9.4630 0.000000 0.000000 
1 1 1  -15    0   36 o  618.300   8.0672  1034.87   38.088  1034.87   38.088  1034.87   38.088  618.300   11.409  618.300   11.409 0.000000 0.000000 
1 1 1  -15    0   37 o  106.949   11.851   33.149   8.9757   33.149   8.9757   33.149   8.9757  106.949   16.760  106.949   16.760 0.000000 0.000000 
1 1 1  -15    0   38 o  355.367   6.0559  342.020   16.424  342.020   16.424  342.020   16.424  355.367   8.5644  355.367   8.5644 0.000000 0.000000 
1 1 1  -15    0   39 o  564.493   7.5503  862.767   32.544  862.767   32.544  862.767   32.544  564.493   10.678  564.493   10.678 0.000000 0.000000 
1 1 1  -15    0   40 o   77.394   16.189   19.975   8.3262   19.975   8.3262   19.975   8.3262   77.394   22.894   77.394   22.894 0.000000 0.000000 
1 1 1  -15    0   41 o  1079.61   13.111  3166.24  108.099  3166.24  108.099  3166.24  108.099  1079.61   18.542  1079.61   18.542 0.000000 0.000000 
1 1 1  -15    0   42 o  334.935   5.8529  303.948   14.960  303.948   14.960  303.948   14.960  334.935   8.2773  334.935   8.2773 0.000000 0.000000 
1 1 1  -15    0   45 o  584.606   7.7537  926.901   34.612  926.901   34.612  926.901   34.612  584.606   10.965  584.606   10.965 0.000000 0.000000 
1 1 1  -15    0   46 f   81.407   13.707   20.808   7.4001   20.808   7.4001   20.808   7.4001   81.407   19.384   81.407   19.384 0.000000 0.000000 
1 1 1  -15    0   47 o   39.902   15.987   5.7709   7.5259   5.7709   7.5259   5.7709   7.5259   39.902   22.609   39.902   22.609 0.000000 0.000000 
1 1 1  -15    0   48 o   27.879   13.037  -1.6342   7.2375  -1.6342   7.2375  -1.6342   7.2375   27.879   18.437   27.879   18.437 0.000000 0.000000 
1 1 1  -15    0   49 o  227.178   5.7262  140.332   9.9124  140.332   9.9124  140.332   9.9124  227.178   8.0981  227.178   8.0981 0.000000 0.000000 
1 1 1  -15    0   50 o  179.769   6.4586   88.323   8.8204   88.323   8.8204   88.323   8.8204  179.769   9.1338  179.769   9.1338 0.000000 0.000000 
1 1 1  -15    0   51 o  238.956   5.7192  155.308   10.417  155.308   10.417  155.308   10.417  238.956   8.0882  238.956   8.0882 0.000000 0.000000 
1 1 1  -15    0   52 o  209.399   5.9574  119.524   9.4981  119.524   9.4981  119.524   9.4981  209.399   8.4251  209.399   8.4251 0.000000 0.000000 
1 1 1  -15    0   53 o   30.921   13.727   1.5434   6.7622   1.5434   6.7622   1.5434   6.7622   30.921   19.413   30.921   19.413 0.000000 0.000000 
1 1 1  -15    0   54 o   82.950   13.988   21.872   7.6939   21.872   7.6939   21.872   7.6939   82.950   19.781   82.950   19.781 0.000000 0.000000 
1 1 1  -15    0   55 f  214.782   5.8887  125.929   9.6324  125.929   9.6324  125.929   9.6324  214.782   8.3279  214.782   8.3279 0.000000 0.000000 
1 1 1  -15    0   56 o  275.359   5.8157  206.703   12.213  206.703   12.213  206.703   12.213  275.359   8.2247  275.359   8.2247 0.000000 0.000000 
1 1 1  -15    0   57 o   45.132   16.573   8.5511   7.4128   8.5511   7.4128   8.5511   7.4128   45.132   23.438   45.132   23.438 0.000000 0.000000 
1 1 1  -15    0   58 o   39.283   15.838   5.9266   7.4477   5.9266   7.4477   5.9266   7.4477   39.283   22.398   39.283   22.398 0.000000 0.000000 
1 1 1  -15    0   59 o   71.532   16.195   18.208   7.8058   18.208   7.8058   18.208   7.8058   71.532   22.903   71.532   22.903 0.000000 0.000000 
1 1 1  -15    0   60 o   70.020   15.955   17.540   7.5389   17.540   7.5389   17.540   7.5389   70.020   22.564   70.020   22.564 0.000000 0.000000 
1 1 1  -15    0   61 o   74.797   16.568   19.918   8.3108   19.918   8.3108   19.918   8.3108   74.797   23.431   74.797   23.431 0.000000 0.000000 
1 1 1  -15    0   62 o  129.840   8.5193   47.767   8.2857   47.767   8.2857   47.767   8.2857  129.840   12.048  129.840   12.048 0.000000 0.000000 
1 1 1  -15    0   63 o   43.101   17.016   7.9169   8.3642   7.9169   8.3642   7.9169   8.3642   43.101   24.065   43.101   24.065 0.000000 0.000000 
1 1 1  -15    0   64 o   50.593   17.872   11.638   8.4245   11.638   8.4245   11.638   8.4245   50.593   25.275   50.593   25.275 0.000000 0.000000 
1 1 1  -15    0   65 f   58.157   18.682   14.798   8.9813   14.798   8.9813   14.798   8.9813   58.157   26.421   58.157   26.421 0.000000 0.000000 
1 1 1  -15    0   66 o   26.653   13.036  -5.5262   9.0484  -5.5262   9.0484  -5.5262   9.0484   26.653   18.435   26.653   18.435 0.000000 0.000000 
1 1 1  -15    0   67 o  300.115   6.1592  249.560   14.099  249.560   14.099  249.560   14.099  300.115   8.7105  300.115   8.7105 0.000000 0.000000 
1 1 1  -15    0   68 o  105.845   12.591   35.497   9.3185   35.497   9.3185   35.497   9.3185  105.845   17.807  105.845   17.807 0.000000 0.000000 
1 1 1  -15    1    1 o  761.692   9.2865  1570.41   38.216  1553.35   53.476  1588.21   54.635  757.474   13.065  765.909   13.201 -8.435669 18.57296 
1 1 1  -15    1    2 o  338.987   4.7440  310.625   8.6897  308.249   12.245  313.036   12.334  337.681   6.7107  340.293   6.7074 -2.612122 9.488012 
1 1 1  -15    1    3 o  637.927   7.8957  1100.99   27.215  1091.24   38.174  1111.08   38.810  635.056   11.124  640.797   11.208 -5.741333 15.79148 
1 1 1  -15    1    4 o  565.070   7.0962  863.733   21.668  861.430   30.583  866.055   30.703  564.314   10.029  565.826   10.042 -1.512085 14.19242 
1 1 1  -15    1    5 o  848.249   10.284  1948.96   47.136  1953.51   66.853  1944.46   66.470  849.230   14.568  847.268   14.518 1.961426 20.56733 
1 1 1  -15    1    6 f  295.509   4.3805  236.045   6.9948  234.627   9.8716  237.475   9.9129  294.618   6.2007  296.401   6.1892 -1.783051 8.760983 
1 1 1  -15    1    7 o  581.293   7.2827  913.953   22.872  903.714   32.014  924.629   32.689  577.971   10.251  584.614   10.348 -6.642578 14.56531 
1 1 1  -15    1    8 o  253.320   4.0751  173.318   5.5760  168.325   7.7579  178.654   8.0201  249.549   5.7531  257.091   5.7730 -7.542709 8.150167 
1 1 1  -15    1    9 f  465.131   6.0485  585.058   15.202  582.332   21.427  587.821   21.572  464.040   8.5453  466.221   8.5626 -2.181091 12.09709 
1 1 1  -15    1   10 o  407.061   5.4665  448.015   12.024  450.216   17.095  445.860   16.914  408.049   7.7530  406.072   7.7084 1.976959 10.93292 
1 1 1  -15    1   11 o  668.390   8.2686  1209.21   29.864  1213.07   42.391  1205.40   42.078  669.447   11.718  667.334   11.669 2.113464 16.53725 
1 1 1  -15    1   12 o  486.730   6.2990  640.696   16.566  634.331   23.242  647.269   23.618  484.275   8.8816  489.185   8.9345 -4.910461 12.59794 
1 1 1  -15    1   13 o  641.113   15.998  1114.64   55.421   0.0000   0.0000  1114.64   55.421  ?   ?   641.113   15.998      ?      ? 
1 1 1  -15    1   15 o  332.867   9.7706  299.775   17.574   0.0000   0.0000  299.775   17.574  ?   ?   332.867   9.7706      ?      ? 
1 1 1  -15    1   16 o  543.618   6.9368  799.466   20.376  795.699   28.694  803.299   28.941  542.328   9.7913  544.909   9.8288 -2.581055 13.87351 
1 1 1  -15    1   17 o  883.744   10.729  2116.54   51.234  2118.66   72.531  2114.44   72.382  884.183   15.181  883.305   15.165 0.8782349 21.45742 
1 1 1  -15    1   18 o  694.130   8.5885  1304.28   32.214  1305.42   45.615  1303.14   45.501  694.432   12.156  693.828   12.136 0.6045532 17.17707 
1 1 1  -15    1   19 o  255.828   4.3694  176.780   6.0378  181.586   8.6918  172.298   8.3934  259.185   6.2060  252.470   6.1523 6.714706 8.738747 
1 1 1  -15    1   20 o  837.848   10.218  1901.02   46.259  1906.41   65.635  1895.70   65.206  839.024   14.477  836.672   14.423 2.352051 20.43503 
1 1 1  -15    1   21 o  432.409   5.8482  505.121   13.657  517.217   19.732  494.001   18.920  437.370   8.3492  427.447   8.1912 9.922791 11.69637 
1 1 1  -15    1   22 o  489.233   6.4291  647.141   16.995  641.097   23.847  653.379   24.226  486.914   9.0635  491.553   9.1206 -4.639618 12.85818 
1 1 1  -15    1   23 o  650.357   8.1429  1144.07   28.614  1134.45   40.131  1154.02   40.810  647.581   11.468  653.134   11.563 -5.552979 16.28589 
1 1 1  -15    1   24 o  915.622   11.119  2268.80   54.993  2232.19   76.458  2308.04   79.155  907.990   15.583  923.254   15.866 -15.26404 22.23878 
1 1 1  -15    1   25 o  139.136   5.1611   52.276   3.8672   46.576   5.3713   58.411   5.5722  131.266   7.5725  147.006   7.0146 -15.74017 10.32223 
1 1 1  -15    1   26 o  802.949   9.8456  1744.34   42.714  1759.53   60.954  1729.70   59.874  806.375   13.989  799.523   13.859 6.852966 19.69123 
1 1 1  -15    1   27 o  762.243   9.4036  1571.94   38.729  1559.07   54.312  1585.25   55.241  759.074   13.241  765.411   13.356 -6.336548 18.80721 
1 1 1  -15    1   28 o  747.109   9.2599  1510.32   37.383  1514.63   53.021  1506.06   52.715  748.167   13.115  746.052   13.076 2.115479 18.51973 
1 1 1  -15    1   29 o  1134.02   13.646  3485.79   83.618  3468.42  117.651  3503.52  118.867  1131.17   19.248  1136.86   19.349 -5.691284 27.29233 
1 1 1  -15    1   30 o  838.752   10.288  1904.39   46.627  1907.62   66.029  1901.17   65.852  839.462   14.556  838.042   14.542 1.419617 20.57533 
1 1 1  -15    1   31 o  760.409   9.4232  1564.96   38.719  1572.52   55.025  1557.55   54.492  762.224   13.359  758.594   13.293 3.629883 18.84648 
1 1 1  -15    1   32 o  625.326   7.9968  1058.04   27.022  1057.19   38.189  1058.89   38.240  625.075   11.306  625.577   11.312 -0.5012817 15.99369 
1 1 1  -15    1   33 o  948.157   11.557  2436.86   59.215  2437.93   83.767  2435.80   83.718  948.364   16.346  947.950   16.344 0.4135742 23.11492 
1 1 1  -15    1   34 f  374.983   5.9718  377.861   12.058  352.638   16.237  408.867   18.003  361.125   8.3209  388.842   8.5681 -27.71710 11.94363 
1 1 1  -15    1   35 o  632.806   8.1652  1083.26   27.909  1102.85   40.164  1064.97   38.810  638.326   11.644  627.286   11.450 11.03973 16.33040 
1 1 1  -15    1   36 o  520.925   7.1375  733.519   20.079  716.060   27.796  752.570   29.035  514.456   9.9987  527.394   10.188 -12.93829 14.27504 
1 1 1  -15    1   37 o  962.272   11.759  2511.96   61.145  2518.43   86.736  2505.57   86.211  963.497   16.660  961.047   16.601 2.450012 23.51875 
1 1 1  -15    1   38 o  485.058   6.8175  636.165   17.860  654.598   25.777  619.149   24.768  491.804   9.6997  478.311   9.5827 13.49225 13.63496 
1 1 1  -15    1   39 o  851.866   10.533  1968.51   48.483  1982.91   69.063  1954.51   68.080  854.925   14.950  848.807   14.843 6.118713 21.06659 
1 1 1  -15    1   40 o  899.843   11.075  2200.17   53.849  2199.47   76.140  2200.87   76.169  899.700   15.661  899.986   15.662 -0.2857056 22.14909 
1 1 1  -15    1   41 o  270.280   5.8449  197.471   8.5305  207.395   12.308  188.295   11.834  276.809   8.2284  263.751   8.3033 13.05853 11.68980 
1 1 1  -15    1   42 o  201.432   7.8985  107.874   8.1218  116.509   14.259  103.727   9.8816  207.174   12.737  195.690   9.3448 11.48331 15.79699 
1 1 1  -15    1   45 f  251.072   6.9845  169.582   9.0021  175.856   15.480  166.377   11.066  254.381   11.261  247.762   8.2652 6.618973 13.96900 
1 1 1  -15    1   46 o   75.682   13.409   16.338   5.4780   14.859   7.5904   17.946   7.9139   72.170   19.148   79.194   18.778 -7.023956 26.81889 
1 1 1  -15    1   47 o  501.103   6.8988  682.277   18.674  671.763   26.010  693.463   26.828  497.143   9.6821  505.062   9.8300 -7.919373 13.79757 
1 1 1  -15    1   48 f  301.295   5.6356  246.161   9.1724  240.095   12.782  252.602   13.170  297.473   7.9518  305.117   7.9881 -7.643677 11.27119 
1 1 1  -15    1   49 o  178.062   6.2780   86.192   6.0384   83.026   8.4839   89.442   8.5965  174.736   8.9852  181.389   8.7705 -6.653687 12.55606 
1 1 1  -15    1   50 o   65.453   13.507   12.107   5.1583   15.160   7.3495   9.1436   7.2416   72.393   18.667   58.513   19.526 13.88027 27.01358 
1 1 1  -15    1   51 o  221.716   5.9411  133.681   7.1147  136.383   10.247  131.166   9.8864  223.865   8.4707  219.567   8.3326 4.297913 11.88211 
1 1 1  -15    1   52 f  157.714   6.8664   67.880   5.8471   69.354   8.4729   66.539   8.0791  159.325   9.8415  156.104   9.5777 3.221100 13.73273 
1 1 1  -15    1   53 o  129.090   8.2181   46.002   5.7101   49.920   8.0033   41.940   8.1494  134.831   10.985  123.349   12.226 11.48241 16.43627 
1 1 1  -15    1   54 o  229.200   5.7566  143.377   7.1238  136.449   10.058  150.350   10.091  223.592   8.3250  234.809   7.9529 -11.21710 11.51323 
1 1 1  -15    1   55 o  224.116   5.8764  137.202   7.1105  129.435   9.9202  145.409   10.197  217.557   8.4384  230.675   8.1806 -13.11778 11.75280 
1 1 1  -15    1   56 o   78.154   12.891   18.117   5.3475   19.919   7.7337   16.467   7.4023   81.992   17.953   74.316   18.504 7.676323 25.78185 
1 1 1  -15    1   57 o  149.621   7.3506   61.882   5.9008   52.628   8.1893   71.875   8.5100  137.784   10.999  161.458   9.7540 -23.67389 14.70113 
1 1 1  -15    1   58 o  163.979   7.0016   74.302   6.2011   75.784   8.6976   72.770   8.8435  165.710   9.7132  162.248   10.087 3.461807 14.00326 
1 1 1  -15    1   59 f   83.094   12.522   20.914   5.5675   15.308   8.0228   26.122   7.7324   70.570   20.080   95.618   14.965 -25.04709 25.04322 
1 1 1  -15    1   60 o  307.404   5.8533  260.207   9.7215  255.223   13.615  265.392   13.886  304.401   8.2771  310.405   8.2786 -6.003937 11.70660 
1 1 1  -15    1   61 f  162.493   7.3068   73.602   6.4076   78.505   9.1364   68.857   8.9888  167.945   10.067  157.041   10.593 10.90361 14.61352 
1 1 1  -15    1   62 o   40.185   12.425  -2.2474   5.4828  -8.8024   7.7755   4.2352   7.7324   32.783   15.657   47.587   19.296 -14.80377 24.84951 
1 1 1  -15    1   63 o   80.086   13.918   20.414   5.9783   20.961   8.2599   19.812   8.6637   81.564   19.080   78.608   20.267 2.956566 27.83502 
1 1 1  -15    1   64 o   68.824   14.573   15.673   5.8517   17.509   8.5137   14.030   8.0563   72.423   20.712   65.226   20.505 7.196945 29.14504 
1 1 1  -15    1   65 o  100.055   12.811   30.955   6.7817   29.050   9.4194   33.006   9.7717   95.828   18.862  104.283   17.341 -8.454300 25.62184 
1 1 1  -15    1   66 o   72.154   14.876   18.086   6.3620   13.224   9.2120   22.521   8.7969   62.444   21.984   81.864   20.046 -19.41986 29.75128 
1 1 1  -15    1   67 o   43.468   13.235   1.0658   6.0117   7.2818   8.3506  -5.6221   8.6617   50.723   20.232   36.213   17.068 14.51037 26.46919 
1 1 1  -15    1   68 o  117.924   14.959   51.383   8.0647   54.772   9.5787   43.131   14.946  134.482   13.181  101.366   26.857 33.11642 29.91758 
1 1 1  -15    2    1 o  603.554   7.5181  985.058   24.511  968.065   34.111  1003.20   35.244  598.181   10.553  608.927   10.711 -10.74561 15.03622 
1 1 1  -15    2    2 o  603.327   7.5216  984.592   24.518  972.392   34.316  997.315   35.043  599.513   10.593  607.141   10.681 -7.627441 15.04317 
1 1 1  -15    2    3 o  215.814   3.8118  125.883   4.4447  125.965   6.3367  125.803   6.2361  215.884   5.4320  215.745   5.3491 0.1381683 7.623603 
1 1 1  -15    2    4 o  486.512   6.2595  639.837   16.450  650.029   23.642  630.273   22.903  490.262   8.9242  482.762   8.7796 7.500305 12.51894 
1 1 1  -15    2    5 o  932.967   11.261  2358.89   56.770  2371.34   80.765  2346.74   79.813  935.390   15.979  930.544   15.873 4.845947 22.52251 
1 1 1  -15    2    6 o  147.909   3.7012   59.054   2.9559   60.975   4.2851   57.310   4.0828  150.201   5.2796  145.617   5.1886 4.583557 7.402479 
1 1 1  -15    2    7 o  555.175   7.0068  833.579   21.017  823.028   29.409  844.592   30.047  551.589   9.8667  558.762   9.9514 -7.173279 14.01366 
1 1 1  -15    2    8 o  716.606   8.7977  1390.17   34.067  1390.02   48.201  1390.31   48.156  716.567   12.448  716.645   12.435 -0.7720947E-01 17.59538 
1 1 1  -15    2    9 o  190.390   3.8082   97.911   3.9165  100.301   5.6329   95.674   5.4492  192.638   5.4113  188.143   5.3599 4.495361 7.616431 
1 1 1  -15    2   10 o  607.839   7.6022  999.576   24.966  1009.35   35.695  990.216   34.931  610.742   10.816  604.936   10.686 5.805420 15.20438 
1 1 1  -15    2   11 o  397.502   5.3922  427.249   11.582  427.246   16.424  427.251   16.336  397.500   7.6462  397.504   7.6051 -0.4180908E-02 10.78436 
1 1 1  -15    2   12 o  562.877   8.7316  856.581   25.011  854.043   30.579  861.712   43.472  561.822   10.072  563.932   14.266 -2.109863 17.46313 
1 1 1  -15    2   13 o  1155.14   27.898  3646.40  174.136   0.0000   0.0000  3646.40  174.136  ?   ?   1155.14   27.898      ?      ? 
1 1 1  -15    2   15 o  528.832   9.6172  751.199   27.312  813.288   41.518  703.829   36.264  547.891   14.023  509.772   13.165 38.11838 19.23435 
1 1 1  -15    2   16 o  1194.03   14.330  3873.07   92.456  3897.02  131.601  3849.74  129.920  1197.65   20.335  1190.41   20.197 7.243652 28.66059 
1 1 1  -15    2   17 o  1030.09   12.418  2878.51   69.119  2875.86   97.683  2881.17   97.816  1029.62   17.557  1030.57   17.565 -0.9478760 24.83501 
1 1 1  -15    2   18 o  403.211   5.5169  439.528   12.019  434.351   16.850  444.891   17.149  400.795   7.7800  405.627   7.8240 -4.831909 11.03373 
1 1 1  -15    2   19 o  619.122   7.7748  1036.92   26.007  1025.04   36.396  1049.30   37.175  615.505   10.943  622.738   11.047 -7.232422 15.54963 
1 1 1  -15    2   20 o  653.106   8.1534  1154.12   28.775  1152.99   40.669  1155.26   40.718  652.784   11.529  653.427   11.532 -0.6433105 16.30674 
1 1 1  -15    2   21 o  899.173   10.918  2189.85   53.048  2186.55   74.914  2193.18   75.129  898.494   15.430  899.852   15.451 -1.358337 21.83585 
1 1 1  -15    2   22 o  213.839   4.3778  123.515   5.0560  121.210   7.0182  126.001   7.2903  211.767   6.1331  215.911   6.2486 -4.143417 8.755524 
1 1 1  -15    2   23 o  903.677   10.980  2211.33   53.618  2214.68   75.988  2208.00   75.667  904.357   15.550  902.996   15.507 1.361145 21.96046 
1 1 1  -15    2   24 o  755.036   9.3075  1542.34   37.971  1530.06   53.284  1555.02   54.124  751.986   13.113  758.087   13.212 -6.100830 18.61497 
1 1 1  -15    2   25 o  369.649   5.4060  369.313   10.797  371.881   15.388  366.823   15.154  370.914   7.6777  368.384   7.6126 2.529449 10.81194 
1 1 1  -15    2   26 o  565.104   7.2631  863.242   22.173  851.858   30.927  875.283   31.805  561.276   10.197  568.933   10.345 -7.657898 14.52610 
1 1 1  -15    2   27 o  889.614   10.841  2141.56   52.095  2108.33   72.501  2177.03   74.905  882.497   15.203  896.730   15.458 -14.23352 21.68181 
1 1 1  -15    2   28 o  815.328   10.015  1797.99   44.099  1764.08   61.159  1834.71   63.646  807.341   14.019  823.315   14.306 -15.97498 20.02965 
1 1 1  -15    2   29 o  412.291   5.9735  459.179   13.297  450.922   18.365  468.277   19.277  408.403   8.3218  416.180   8.5720 -7.777039 11.94701 
1 1 1  -15    2   30 o  695.275   8.7149  1307.65   32.737  1294.80   45.797  1321.07   46.813  691.790   12.251  698.761   12.398 -6.970886 17.42986 
1 1 1  -15    2   31 o  623.634   7.9642  1052.13   26.838  1056.04   38.065  1048.27   37.846  624.784   11.275  622.485   11.251 2.298584 15.92849 
1 1 1  -15    2   32 o  755.238   9.3849  1543.90   38.294  1527.37   53.563  1561.18   54.768  751.113   13.197  759.364   13.347 -8.251038 18.76975 
1 1 1  -15    2   33 o  437.700   6.2772  518.049   14.846  523.334   21.159  512.926   20.834  439.897   8.9015  435.503   8.8530 4.394073 12.55439 
1 1 1  -15    2   34 o  461.534   6.5390  576.056   16.307  571.065   22.904  581.188   23.223  459.508   9.2242  463.560   9.2709 -4.052460 13.07808 
1 1 1  -15    2   35 o  811.089   10.048  1782.24   44.041  1781.27   62.257  1783.21   62.309  810.869   14.209  811.310   14.213 -0.4413452 20.09689 
1 1 1  -15    2   36 o  452.222   6.5430  553.179   15.989  550.247   22.575  556.129   22.648  451.020   9.2627  453.425   9.2437 -2.405304 13.08601 
1 1 1  -15    2   37 o  240.500   6.3253  156.364   8.2044  154.901   11.235  158.037   12.010  239.303   8.6881  241.697   9.1954 -2.393753 12.65063 
1 1 1  -15    2   38 o  180.733   7.0952   88.303   6.9244   92.938   9.9817   84.003   9.6138  185.301   9.9687  176.164   10.099 9.136703 14.19047 
1 1 1  -15    2   39 o  355.500   5.9056  341.855   11.344  338.040   15.918  345.792   16.170  353.485   8.3337  357.514   8.3699 -4.028351 11.81127 
1 1 1  -15    2   40 o  591.292   7.7778  947.372   24.851  946.429   35.176  948.312   35.114  590.996   11.015  591.588   10.984 -0.5924072 15.55569 
1 1 1  -15    2   41 o  547.234   7.3092  811.381   21.613  806.734   30.432  816.112   30.701  545.655   10.321  548.813   10.352 -3.157654 14.61830 
1 1 1  -15    2   42 f  508.319   8.5280  696.481   21.966  714.414   38.674  687.940   26.690  512.750   13.958  503.888   9.8021 8.862366 17.05600 
1 1 1  -15    2   45 o   52.598   14.635   4.2328   5.9472   6.1013   9.7056   3.1095   7.5254   57.366   22.125   47.829   19.162 9.537186 29.26903 
1 1 1  -15    2   46 o  234.679   5.7205  149.279   7.2524  152.093   10.403  146.618   10.116  236.825   8.1291  232.532   8.0506 4.293320 11.44094 
1 1 1  -15    2   47 o  318.871   5.7062  275.848   9.8316  271.894   13.848  279.866   13.961  316.563   8.0953  321.179   8.0441 -4.615784 11.41236 
1 1 1  -15    2   48 o  268.857   5.6483  195.156   8.1799  208.385   12.177  184.275   11.043  277.098   8.1321  260.616   7.8411 16.48154 11.29669 
1 1 1  -15    2   49 o  146.794   7.3712   59.095   5.8094   54.250   8.4714   63.396   7.9818  140.991   11.119  152.597   9.6798 -11.60594 14.74234 
1 1 1  -15    2   50 o  203.542   6.1054  112.589   6.7106  107.180   9.3251  118.398   9.6644  198.468   8.6951  208.617   8.5731 -10.14886 12.21076 
1 1 1  -15    2   51 o  443.478   6.4357  535.783   15.421  529.414   21.649  542.345   21.974  440.808   9.0885  446.148   9.1145 -5.340149 12.87147 
1 1 1  -15    2   52 f  308.857   5.7370  259.506   9.5703  268.242   13.786  251.380   13.296  313.865   8.1283  303.849   8.0983 10.01630 11.47391 
1 1 1  -15    2   53 o  384.614   6.0300  403.308   12.524  412.461   18.109  394.917   17.339  388.752   8.6207  380.475   8.4337 8.276093 12.06004 
1 1 1  -15    2   54 o  174.658   6.4571   83.450   6.0909   83.145   8.7506   83.737   8.4833  174.311   9.2901  175.005   8.9706 -0.6938934 12.91430 
1 1 1  -15    2   55 o  248.769   5.7209  168.770   7.6784  182.613   11.110  156.112   10.624  258.563   7.9517  238.975   8.2272 19.58806 11.44182 
1 1 1  -15    2   56 o  357.822   5.8944  350.487   11.395  350.596   16.263  350.381   15.971  357.835   8.4109  357.809   8.2602 0.2584839E-01 11.78872 
1 1 1  -15    2   57 o  122.601   8.4610   41.943   5.5954   40.164   8.0320   43.620   7.7993  119.937   12.393  125.265   11.522 -5.327339 16.92199 
1 1 1  -15    2   58 o  215.169   6.1375  126.666   7.1197  137.355   10.487  117.528   9.6968  223.550   8.6816  206.789   8.6779 16.76126 12.27502 
1 1 1  -15    2   59 o  116.877   9.4614   39.617   5.6965   26.453   8.0485   52.831   8.0635   95.999   15.515  137.755   10.833 -41.75671 18.92281 
1 1 1  -15    2   60 o  184.011   6.5308   93.677   6.4884   99.060   9.2798   88.528   9.0756  189.257   9.0740  178.765   9.3952 10.49181 13.06167 
1 1 1  -15    2   61 o   45.575   13.377   2.7395   5.4251   4.0674   7.8312   1.5142   7.5225   47.824   19.410   43.325   18.412 4.498386 26.75317 
1 1 1  -15    2   62 o   77.140   14.000   18.885   5.8711   17.788   8.5093   19.881   8.1110   74.651   20.478   79.630   19.096 -4.979744 28.00045 
1 1 1  -15    2   63 o   48.308   13.884   4.3936   5.7287   2.4396   8.2321   6.2283   7.9770   45.616   19.316   50.999   19.949 -5.382660 27.76860 
1 1 1  -15    2   64 o   97.466   11.500   28.894   5.9257   31.136   8.6302   26.895   8.1508  101.863   15.679   93.070   16.826 8.792519 22.99900 
1 1 1  -15    2   65 o  165.480   8.1792   78.055   7.2859   69.788   10.197   86.680   10.415  156.130   12.086  174.830   11.024 -18.70052 16.35845 
1 1 1  -15    2   66 o  169.240   8.0354   82.845   7.3412   87.668   10.470   78.180   10.296  174.327   11.115  164.153   11.608 10.17448 16.07084 
1 1 1  -15    2   67 o   69.957   14.487   16.701   6.2014   24.762   9.1104   9.7418   8.4654   84.842   20.168   55.072   20.803 29.76998 28.97411 
1 1 1  -15    2   68 o   41.109   14.047 -10.1639   9.4675  -7.0518   13.516 -13.1622   13.266   42.919   20.538   39.300   19.170 3.618759 28.09427 
1 1 1  -15    3    1 o  426.235   5.6442  491.225   13.000  487.697   18.321  494.803   18.448  424.694   7.9834  427.777   7.9808 -3.083221 11.28841 
1 1 1  -15    3    2 o  534.292   6.7768  772.154   19.565  772.886   27.751  771.431   27.589  534.543   9.6074  534.042   9.5602 0.5003662 13.55361 
1 1 1  -15    3    3 o  249.376   4.0800  168.013   5.4942  170.081   7.9386  166.112   7.6117  250.846   5.8566  247.905   5.6821 2.941193 8.160024 
1 1 1  -15    3    4 o  439.203   5.7784  521.610   13.714  521.651   19.458  521.570   19.330  439.218   8.1986  439.187   8.1452 0.3179932E-01 11.55683 
1 1 1  -15    3    5 o  586.069   7.3509  929.038   23.274  939.551   33.334  919.038   32.511  589.298   10.468  582.840   10.323 6.457520 14.70173 
1 1 1  -15    3    6 o  196.826   3.8311  104.763   4.0723  102.719   5.8239  106.717   5.6965  194.946   5.5286  198.706   5.3053 -3.760284 7.662292 
1 1 1  -15    3    7 o  927.323   11.210  2330.62   56.169  2315.00   78.904  2346.67   79.978  924.183   15.800  930.463   15.907 -6.279846 22.42012 
1 1 1  -15    3    8 o  349.078   4.9314  328.852   9.2927  316.399   12.797  342.745   13.517  342.101   6.9224  356.056   7.0253 -13.95505 9.862759 
1 1 1  -15    3    9 o  580.868   7.3092  912.886   22.942  915.357   32.584  910.458   32.306  581.645   10.367  580.091   10.306 1.553711 14.61847 
1 1 1  -15    3   10 o   91.486   4.7711   22.578   2.3535   23.340   3.4655   21.926   3.2063   92.914   6.9024   90.058   6.5886 2.856018 9.542130 
1 1 1  -15    3   11 o  553.367   8.6272  822.533   24.085  811.069   29.132  847.297   42.816  547.524   9.8463  559.210   14.169 -11.68628 17.25447 
1 1 1  -15    3   12 o  502.325   9.1783  683.352   24.911  688.739   35.547  678.153   34.919  504.264   13.045  500.386   12.914 3.877716 18.35650 
1 1 1  -15    3   13 o  822.497   20.135  1838.74   89.489   0.0000   0.0000  1838.74   89.489  ?   ?   822.497   20.135      ?      ? 
1 1 1  -15    3   14 o  207.582   8.0754  116.532   9.0582   0.0000   0.0000  116.532   9.0582  ?   ?   207.582   8.0754      ?      ? 
1 1 1  -15    3   15 o  713.610   12.460  1381.35   48.037  1364.64   67.136  1398.87   68.763  709.207   17.518  718.013   17.723 -8.805603 24.91989 
1 1 1  -15    3   16 o  498.906   6.4807  673.248   17.471  671.499   24.677  675.005   24.739  498.256   9.1656  499.555   9.1647 -1.298920 12.96143 
1 1 1  -15    3   17 o  637.495   7.9682  1099.81   27.448  1094.83   38.695  1104.86   38.943  636.043   11.258  638.947   11.279 -2.903931 15.93638 
1 1 1  -15    3   18 o  363.354   5.1865  356.851   10.182  350.094   14.262  363.875   14.542  359.847   7.3343  366.861   7.3354 -7.014130 10.37304 
1 1 1  -15    3   19 o  572.802   7.2747  887.531   22.516  889.189   31.927  885.891   31.760  573.333   10.305  572.271   10.270 1.061951 14.54931 
1 1 1  -15    3   20 o  442.261   5.9427  528.847   14.202  530.167   20.177  527.552   19.993  442.806   8.4323  441.715   8.3762 1.091156 11.88546 
1 1 1  -15    3   21 o  620.606   7.8119  1041.78   26.194  1050.36   37.393  1033.52   36.705  623.110   11.106  618.102   10.989 5.007996 15.62370 
1 1 1  -15    3   22 o  335.628   5.0679  304.293   9.1869  311.139   13.241  297.939   12.757  339.264   7.2226  331.992   7.1111 7.272095 10.13577 
1 1 1  -15    3   23 o  970.187   11.741  2549.23   61.552  2534.80   86.552  2564.00   87.553  967.415   16.557  972.958   16.653 -5.542664 23.48286 
1 1 1  -15    3   24 o  883.474   10.756  2112.82   51.350  2115.54   72.754  2110.13   72.487  884.038   15.230  882.910   15.193 1.128296 21.51247 
1 1 1  -15    3   25 o  884.822   10.775  2118.11   51.499  2084.43   71.676  2154.05   74.043  877.567   15.115  892.077   15.360 -14.51056 21.54976 
1 1 1  -15    3   26 o  1082.58   13.043  3175.25   76.298  3178.41  108.032  3172.10  107.772  1083.12   18.458  1082.05   18.432 1.072266 26.08532 
1 1 1  -15    3   27 o  864.217   10.561  2020.16   49.288  1979.03   68.230  2065.05   71.277  855.043   14.767  873.391   15.103 -18.34753 21.12254 
1 1 1  -15    3   28 o  789.290   9.7291  1685.98   41.495  1687.55   58.734  1684.41   58.632  789.657   13.764  788.922   13.753 0.7349243 19.45811 
1 1 1  -15    3   29 o  538.389   7.0650  783.485   20.547  770.196   28.612  797.636   29.525  533.681   9.9215  543.098   10.061 -9.416992 14.12992 
1 1 1  -15    3   30 o  213.917   5.4591  123.640   6.3004  122.559   8.6520  124.859   9.1926  212.926   7.5197  214.908   7.9159 -1.982758 10.91821 
1 1 1  -15    3   31 o  411.095   5.9363  456.944   13.187  457.395   18.665  456.496   18.634  411.297   8.3980  410.892   8.3924 0.4044495 11.87263 
1 1 1  -15    3   32 o  372.387   5.6867  373.952   11.425  357.745   15.624  392.575   16.748  363.742   7.9490  381.031   8.1344 -17.28906 11.37344 
1 1 1  -15    3   33 o  397.402   5.9706  426.885   12.819  436.052   18.358  418.162   17.907  401.563   8.4601  393.241   8.4273 8.322601 11.94122 
1 1 1  -15    3   34 o  423.277   6.2272  484.289   14.236  477.239   19.778  491.868   20.508  420.086   8.7130  426.467   8.8991 -6.381531 12.45431 
1 1 1  -15    3   35 o  696.506   8.8187  1313.49   33.191  1314.24   46.996  1312.75   46.882  696.702   12.483  696.311   12.460 0.3913574 17.63748 
1 1 1  -15    3   36 o  290.746   5.8759  228.546   9.2277  226.444   12.841  230.789   13.270  289.368   8.2120  292.125   8.4063 -2.756409 11.75175 
1 1 1  -15    3   37 o  252.954   5.9150  173.080   8.0848  172.148   11.459  174.004   11.409  252.274   8.4058  253.633   8.3241 -1.359207 11.82993 
1 1 1  -15    3   38 o  107.094   11.034   32.467   6.0253   39.475   8.2733   24.553   8.7924  120.698   12.685   93.490   18.058 27.20790 22.06811 
1 1 1  -15    3   39 o  439.006   6.4265  521.528   15.244  523.753   21.721  519.368   21.398  439.925   9.1374  438.087   9.0392 1.837738 12.85298 
1 1 1  -15    3   40 o  971.359   11.892  2567.21   62.418  2578.59   88.736  2556.06   87.815  973.469   16.869  969.249   16.767 4.219849 23.78409 
1 1 1  -15    3   41 o  290.511   5.7185  228.429   8.9767  225.738   12.673  231.139   12.717  288.792   8.1211  292.230   8.0531 -3.438751 11.43696 
1 1 1  -15    3   42 o  487.552   9.6992  644.042   25.497  619.594   34.695  672.748   37.595  477.575   13.444  497.528   13.984 -19.95279 19.39849 
1 1 1  -15    3   44 o  252.696   12.010  173.581   16.399  173.581   16.399   0.0000   0.0000  252.696   12.010  ?   ?       ?      ? 
1 1 1  -15    3   45 o  371.259   5.9832  373.524   11.996  378.202   17.303  369.194   16.647  373.480   8.5737  369.039   8.3479 4.440918 11.96645 
1 1 1  -15    3   46 o  352.148   5.8638  336.266   11.156  326.300   15.626  346.626   15.931  346.821   8.3378  357.476   8.2474 -10.65485 11.72769 
1 1 1  -15    3   47 o  579.592   7.6826  914.127   24.056  898.691   33.579  930.400   34.478  574.587   10.815  584.596   10.914 -10.00885 15.36512 
1 1 1  -15    3   48 o  237.079   5.7479  152.529   7.3607  146.609   10.330  158.636   10.491  232.394   8.2258  241.765   8.0306 -9.371277 11.49588 
1 1 1  -15    3   49 o  280.761   5.6269  214.132   8.5361  212.495   12.119  215.744   12.026  279.685   8.0185  281.838   7.8963 -2.153076 11.25380 
1 1 1  -15    3   50 o  201.264   6.1044  110.201   6.6356  105.529   9.3172  115.011   9.4527  196.915   8.7562  205.613   8.5078 -8.697571 12.20879 
1 1 1  -15    3   51 o  136.314   7.8138   50.766   5.7382   56.436   8.2815   45.530   7.9582  143.682   10.666  128.945   11.421 14.73685 15.62757 
1 1 1  -15    3   52 o  261.628   5.6531  186.002   7.9823  194.229   11.647  178.713   10.962  267.054   8.0707  256.203   7.9180 10.85065 11.30624 
1 1 1  -15    3   53 o  197.264   6.1491  106.270   6.5505  105.157   9.4045  107.319   9.1291  196.220   8.8696  198.309   8.5192 -2.089371 12.29824 
1 1 1  -15    3   54 o   47.949   12.961   2.7467   5.1500   9.5713   7.5005  -3.3403   7.0836   59.084   19.871   36.813   16.647 22.27177 25.92290 
1 1 1  -15    3   55 o  314.661   5.7525  270.664   9.7811  271.472   13.843  269.859   13.822  315.132   8.1293  314.189   8.1413 0.9425964 11.50509 
1 1 1  -15    3   56 o  362.459   5.9519  359.648   11.655  349.687   16.305  370.054   16.665  357.313   8.4449  367.604   8.3896 -10.29089 11.90383 
1 1 1  -15    3   57 o   36.775   11.464  -7.3193   5.2682 -20.3156   7.6893   4.1782   7.2323   26.043   13.029   47.507   18.866 -21.46414 22.92801 
1 1 1  -15    3   58 o  134.192   8.4154   50.291   6.0958   49.393   8.7730   51.130   8.4762  132.918   12.215  135.465   11.579 -2.546524 16.83080 
1 1 1  -15    3   59 o  187.204   6.7801   97.540   6.8085   85.318   9.7150  109.336   9.5444  175.293   10.256  199.115   8.8707 -23.82156 13.56028 
1 1 1  -15    3   60 o   40.431   12.575  -1.2243   5.3898   1.8865   7.7877  -4.0843   7.4671   44.500   18.813   36.363   16.691 8.136650 25.14948 
1 1 1  -15    3   61 o   72.892   13.851   16.691   5.6337   13.807   8.2464   19.216   7.7147   66.709   20.708   79.074   18.401 -12.36478 27.70242 
1 1 1  -15    3   62 o  113.811   9.9042   37.536   6.0382   35.655   8.9921   39.080   8.1487  110.652   15.039  116.970   12.892 -6.317970 19.80850 
1 1 1  -15    3   63 o   53.432   14.116   7.2756   5.7466   2.6951   8.2982   11.497   7.9658   46.013   19.434   60.851   20.478 -14.83801 28.23185 
1 1 1  -15    3   64 o  100.282   11.887   30.714   6.2723   35.093   9.1948   26.903   8.5780  108.148   15.734   92.416   17.823 15.73238 23.77430 
1 1 1  -15    3   65 o  123.956   9.9184   44.863   6.6302   41.666   9.3475   48.100   9.4059  119.184   14.514  128.727   13.522 -9.543518 19.83689 
1 1 1  -15    3   66 o   39.044   12.175  -9.3961   6.1338   8.6048   8.6853 -27.3072   8.6637   53.139   20.808   24.950   12.647 28.18871 24.34978 
1 1 1  -15    3   67 o  213.422   9.0203  135.721   9.7053  138.211   11.896  130.766   16.782  219.897   10.012  206.946   15.008 12.95100 18.04053 
1 1 1  -15    3   68 o   30.017   15.046 -22.9279   10.479   0.0000   0.0000 -22.9279   10.479  ?   ?    30.017   15.046      ?      ? 
1 1 1  -15    4    1 o  486.509   6.2910  640.108   16.538  642.857   23.539  637.428   23.239  487.538   8.9349  485.479   8.8587 2.058838 12.58207 
1 1 1  -15    4    2 o  291.573   4.4306  229.172   6.9660  239.255   10.262  220.555   9.4864  297.501   6.3835  285.645   6.1459 11.85690 8.861239 
1 1 1  -15    4    3 o  438.154   5.8035  518.916   13.737  509.141   19.171  529.231   19.694  433.916   8.1764  442.391   8.2383 -8.475067 11.60700 
1 1 1  -15    4    4 o  537.474   6.8384  781.431   19.861  781.498   28.176  781.364   27.998  537.495   9.7012  537.453   9.6406 0.4217529E-01 13.67677 
1 1 1  -15    4    5 o  354.923   4.9911  340.576   9.5719  339.646   13.591  341.491   13.483  354.441   7.0962  355.405   7.0205 -0.9642029 9.982166 
1 1 1  -15    4    6 o  267.082   5.9549  192.818   8.5942   0.0000   0.0000  192.818   8.5942  ?   ?   267.082   5.9549      ?      ? 
1 1 1  -15    4    7 o  766.021   9.3756  1589.08   38.808  1585.69   54.824  1592.48   54.943  765.204   13.259  766.839   13.259 -1.635620 18.75114 
1 1 1  -15    4    8 o  739.448   9.0880  1480.52   36.312  1471.28   51.095  1489.95   51.615  737.120   12.828  741.776   12.877 -4.655640 18.17598 
1 1 1  -15    4    9 o  560.854   7.1067  851.057   21.537  852.477   30.582  849.660   30.336  561.315   10.083  560.392   10.018 0.9234009 14.21335 
1 1 1  -15    4   10 o  1055.04   15.561  3041.78   84.290  3072.49  104.386  2984.23  142.892  1063.88   18.158  1046.19   25.276 17.69250 31.12196 
1 1 1  -15    4   11 o  129.510   6.1974   45.285   4.3318   47.005   6.3198   43.761   5.9492  131.822   8.8721  127.197   8.6556 4.625526 12.39486 
1 1 1  -15    4   12 o  184.991   5.8905   92.647   5.8823   89.640   8.4166   95.518   8.2244  182.048   8.5558  187.933   8.0987 -5.884933 11.78095 
1 1 1  -15    4   13 o  370.699   10.342  371.847   20.716   0.0000   0.0000  371.847   20.716  ?   ?   370.699   10.342      ?      ? 
1 1 1  -15    4   14 o  650.660   11.467  1147.80   40.312  1157.43   57.535  1138.51   56.498  653.330   16.297  647.991   16.135 5.338379 22.93339 
1 1 1  -15    4   15 o  499.484   7.9582  671.170   20.133  663.781   24.456  686.712   35.466  495.386   9.1358  503.582   13.033 -8.196136 15.91639 
1 1 1  -15    4   16 o  713.175   8.8156  1375.55   33.947  1342.36   46.897  1412.07   49.201  704.165   12.325  722.184   12.608 -18.01849 17.63122 
1 1 1  -15    4   17 o  420.085   5.7178  477.167   12.979  472.730   18.285  481.672   18.426  418.117   8.0930  422.053   8.0793 -3.936737 11.43554 
1 1 1  -15    4   18 o  360.509   5.1779  351.262   10.085  344.750   14.119  358.047   14.411  357.098   7.3169  363.919   7.3285 -6.821014 10.35583 
1 1 1  -15    4   19 o  418.614   5.7126  473.134   12.911  458.397   17.812  489.449   18.741  411.758   8.0052  425.471   8.1517 -13.71262 11.42513 
1 1 1  -15    4   20 f  621.165   7.8293  1042.59   26.257  1015.76   36.239  1072.24   38.097  612.771   10.944  629.559   11.199 -16.78790 15.65855 
1 1 1  -15    4   21 f  563.147   7.2086  857.502   21.932  845.890   30.670  869.656   31.376  559.248   10.149  567.045   10.240 -7.796692 14.41720 
1 1 1  -15    4   22 o  751.088   9.2634  1526.56   37.596  1518.71   52.935  1534.55   53.404  749.141   13.077  753.035   13.124 -3.893616 18.52676 
1 1 1  -15    4   23 o  900.012   10.942  2192.79   53.213  2177.16   74.724  2208.88   75.796  896.764   15.420  903.260   15.529 -6.496338 21.88467 
1 1 1  -15    4   24 o  578.767   7.4033  905.226   23.142  887.940   32.128  923.867   33.363  573.032   10.376  584.501   10.563 -11.46881 14.80653 
1 1 1  -15    4   25 f  646.964   8.1378  1131.45   28.436  1151.01   40.967  1113.26   39.503  652.350   11.622  641.577   11.395 10.77338 16.27568 
1 1 1  -15    4   26 o  803.581   9.8679  1746.22   42.824  1711.18   59.335  1784.31   61.867  795.188   13.809  811.974   14.100 -16.78644 19.73589 
1 1 1  -15    4   27 o  228.001   5.0151  140.404   6.1757  137.134   8.5706  143.935   8.9066  225.242   7.0416  230.758   7.1428 -5.516144 10.03011 
1 1 1  -15    4   28 o  193.297   5.4637  100.944   5.6924  100.187   7.7643  101.824   8.3703  192.517   7.4636  194.077   7.9814 -1.559830 10.92737 
1 1 1  -15    4   29 o  612.913   7.8345  1015.72   25.940  1000.66   36.174  1031.67   37.219  608.242   11.006  617.585   11.153 -9.343384 15.66897 
1 1 1  -15    4   30 o  408.326   5.8983  450.254   13.003  438.551   17.947  463.186   18.866  402.750   8.2466  413.901   8.4353 -11.15125 11.79665 
1 1 1  -15    4   31 f  463.011   6.4254  579.434   16.071  566.548   22.401  593.102   23.070  457.711   9.0571  468.311   9.1166 -10.60098 12.85076 
1 1 1  -15    4   32 o  821.408   10.127  1827.49   44.948  1830.16   63.695  1824.85   63.439  822.002   14.340  820.813   14.303 1.189636 20.25337 
1 1 1  -15    4   33 o  526.317   7.0997  747.823   20.159  774.435   29.542  724.633   27.577  535.050   10.218  517.583   9.8601 17.46796 14.19937 
1 1 1  -15    4   34 o  860.743   10.594  2006.69   49.259  1977.33   68.647  2037.85   70.725  854.274   14.871  867.211   15.093 -12.93707 21.18783 
1 1 1  -15    4   35 o  618.159   8.0173  1033.80   26.772  1051.65   38.451  1017.01   37.299  623.327   11.416  612.991   11.260 10.33636 16.03467 
1 1 1  -15    4   36 o  743.337   9.3463  1495.89   37.529  1470.61   52.263  1522.79   53.924  736.871   13.126  749.803   13.309 -12.93146 18.69256 
1 1 1  -15    4   37 o  519.320   7.1072  728.756   19.925  704.063   27.441  756.293   28.978  510.039   9.9564  528.602   10.145 -18.56259 14.21447 
1 1 1  -15    4   38 o  328.030   5.8501  291.052   10.368  292.744   14.832  289.436   14.498  328.959   8.3438  327.102   8.2023 1.856689 11.70028 
1 1 1  -15    4   39 o  151.391   7.8588   62.081   6.4285   61.666   9.0267   62.508   9.1573  150.878   11.072  151.902   11.156 -1.023941 15.71760 
1 1 1  -15    4   40 o  553.293   7.3988  829.373   22.118  834.892   31.600  824.072   30.967  555.087   10.535  551.500   10.391 3.587219 14.79758 
1 1 1  -15    4   41 o  396.451   6.1768  424.931   13.220  439.511   19.219  411.837   18.212  402.888   8.8278  390.015   8.6417 12.87268 12.35351 
1 1 1  -15    4   42 o  362.116   11.819  355.856   23.127  355.856   23.127   0.0000   0.0000  362.116   11.819  ?   ?       ?      ? 
1 1 1  -15    4   44 o  489.694   9.6801  652.967   25.608  663.739   36.743  642.793   35.709  493.595   13.776  485.794   13.603 7.800781 19.36012 
1 1 1  -15    4   45 o  164.619   6.7671   73.608   6.0111   68.902   8.4809   78.358   8.5212  159.306   9.8519  169.933   9.2798 -10.62700 13.53422 
1 1 1  -15    4   46 o  262.852   5.7458  187.238   8.1567  179.426   11.344  195.602   11.737  257.176   8.1627  268.528   8.0888 -11.35214 11.49163 
1 1 1  -15    4   47 o  208.426   5.9445  117.951   6.6923  114.610   9.4974  121.246   9.4316  205.477   8.5537  211.376   8.2574 -5.898514 11.88908 
1 1 1  -15    4   48 o  118.311   8.7077   37.308   5.4742   48.528   8.4421   29.168   7.1909  133.348   11.716  103.274   12.885 30.07325 17.41546 
1 1 1  -15    4   49 f  149.890   7.1935   60.660   5.7936   66.971   8.7819   55.796   7.7092  156.700   10.371  143.081   9.9710 13.61928 14.38697 
1 1 1  -15    4   50 o  215.540   5.8955  126.280   6.8619  128.577   9.9219  124.174   9.5002  217.399   8.4460  213.681   8.2277 3.717636 11.79109 
1 1 1  -15    4   51 o  123.511   8.3196   41.954   5.5323   38.285   7.8822   45.518   7.7668  118.079   12.353  128.943   11.147 -10.86381 16.63923 
1 1 1  -15    4   52 o  264.409   5.7596  190.550   8.2254  183.824   11.631  197.281   11.634  259.700   8.2878  269.118   8.0004 -9.418152 11.51929 
1 1 1  -15    4   53 o  143.900   7.4554   56.823   5.7969   55.968   8.1846   57.684   8.2115  142.801   10.607  145.000   10.480 -2.199570 14.91088 
1 1 1  -15    4   54 f  232.821   5.7688  147.965   7.2574  149.650   10.314  146.313   10.213  234.135   8.1525  231.506   8.1642 2.629028 11.53766 
1 1 1  -15    4   55 o  337.281   5.7961  310.559   10.554  325.598   15.323  296.987   14.557  345.024   8.2190  329.539   8.1747 15.48584 11.59214 
1 1 1  -15    4   56 o  172.000   6.7079   81.314   6.2294   76.833   8.7104   86.005   8.9125  167.101   9.6465  176.900   9.3236 -9.798416 13.41584 
1 1 1  -15    4   57 o   86.452   11.808   21.906   5.3862   18.794   7.6564   24.955   7.5788   79.102   18.279   93.801   14.952 -14.69934 23.61559 
1 1 1  -15    4   58 o  147.821   7.4950   60.497   5.9602   68.681   8.6395   53.064   8.2332  157.501   10.151  138.141   11.030 19.36041 14.98996 
1 1 1  -15    4   59 o  230.605   5.9338  145.599   7.3740  159.092   10.902  134.221   10.011  240.398   8.3928  220.811   8.3904 19.58760 11.86753 
1 1 1  -15    4   60 o  137.435   8.0666   53.005   5.9883   52.889   8.5839   53.116   8.3579  137.212   11.577  137.659   11.236 -0.4467163 16.13318 
1 1 1  -15    4   61 o  229.613   6.1414  145.723   7.6171  144.101   10.885  147.278   10.663  228.279   8.8240  230.947   8.5443 -2.667877 12.28283 
1 1 1  -15    4   62 o   98.391   11.209   28.802   5.8116   27.440   8.3974   30.053   8.0511   95.063   16.970  101.718   14.648 -6.654846 22.41716 
1 1 1  -15    4   63 o  168.274   7.5799   79.949   6.8912   81.759   9.8456   78.210   9.6487  170.148   10.708  166.400   10.731 3.748093 15.15976 
1 1 1  -15    4   64 o  152.812   8.3578   67.569   6.8126   57.203   9.8001   77.262   9.4769  140.514   12.907  165.110   10.622 -24.59521 16.71564 
1 1 1  -15    4   65 o   41.531   13.053  -3.4260   6.2221   4.8489   9.0810 -10.7484   8.5424   49.985   20.662   33.076   15.955 16.90943 26.10521 
1 1 1  -15    4   66 o  105.345   15.603   38.253   8.1397   34.490   9.8509   46.351   14.452  101.262   18.691  109.428   24.989 -8.165977 31.20590 
1 1 1  -15    4   67 o   60.060   15.263   11.823   6.6301   6.2940   9.2811   17.586   9.4746   50.450   20.874   69.670   22.275 -19.21941 30.52654 
1 1 1  -15    4   68 o   42.654   19.883  -2.0822   11.217   0.0000   0.0000  -2.0822   11.217  ?   ?    42.654   19.883      ?      ? 
1 1 1  -15    5    2 o  393.700   5.3885  419.118   11.463  416.395   16.232  421.827   16.191  392.423   7.6548  394.977   7.5861 -2.554047 10.77709 
1 1 1  -15    5    3 o  285.146   4.4611  219.836   6.8714  218.202   9.8273  221.399   9.6117  284.107   6.4012  286.185   6.2153 -2.078156 8.922217 
1 1 1  -15    5    4 o  472.216   6.1782  602.883   15.759  610.514   22.646  595.716   21.945  475.108   8.8207  469.324   8.6532 5.784149 12.35645 
1 1 1  -15    5    5 o  570.246   7.2189  879.803   22.244  875.117   31.364  884.545   31.553  568.719   10.206  571.774   10.212 -3.054810 14.43781 
1 1 1  -15    5    6 o  160.588   4.0167   69.235   3.4729   75.534   5.1865   64.114   4.6759  167.165   5.7417  154.012   5.6185 13.15314 8.033355 
1 1 1  -15    5    7 o  140.970   4.2014   53.645   3.1907   54.633   4.7181   52.811   4.3314  142.163   6.1417  139.777   5.7346 2.386169 8.402785 
1 1 1  -15    5    8 o  312.071   5.7079  261.848   9.0971  258.769   11.138  268.018   15.767  309.378   6.6623  314.764   9.2701 -5.386230 11.41581 
1 1 1  -15    5    9 o  298.461   6.4628  240.779   10.414  245.270   15.106  236.712   14.375  301.106   9.2841  295.817   8.9931 5.288544 12.92559 
1 1 1  -15    5   10 o  307.529   6.5808  255.880   10.934  253.604   15.546  258.108   15.382  306.172   9.3967  308.887   9.2157 -2.714813 13.16160 
1 1 1  -15    5   11 o  397.831   7.7223  428.315   16.600  422.973   23.340  433.784   23.615  395.321   10.926  400.341   10.916 -5.020721 15.44468 
1 1 1  -15    5   12 o  794.616   13.740  1710.48   58.998   0.0000   0.0000  1710.48   58.998  ?   ?   794.616   13.740      ?      ? 
1 1 1  -15    5   13 o  617.185   10.973  1032.39   36.590  1041.22   52.227  1023.87   51.277  619.767   15.595  614.604   15.440 5.163086 21.94507 
1 1 1  -15    5   14 o  313.552   6.7062  265.791   11.359  259.009   15.840  272.973   16.299  309.437   9.4729  317.668   9.4951 -8.230927 13.41243 
1 1 1  -15    5   15 o  684.184   8.4962  1266.96   31.407  1277.33   44.851  1256.98   43.994  686.924   12.083  681.445   11.947 5.479065 16.99237 
1 1 1  -15    5   16 o  740.591   9.1260  1484.99   36.521  1480.07   51.559  1489.94   51.740  739.360   12.905  741.821   12.907 -2.461121 18.25210 
1 1 1  -15    5   17 o  904.711   10.991  2217.28   53.723  2194.73   75.238  2240.75   76.736  900.030   15.470  909.393   15.616 -9.362793 21.98122 
1 1 1  -15    5   18 o  867.852   10.573  2039.71   49.580  2051.56   70.601  2028.17   69.643  870.332   15.012  865.373   14.893 4.959656 21.14621 
1 1 1  -15    5   19 o  624.323   7.8601  1054.02   26.510  1036.36   36.959  1072.73   38.046  618.943   11.050  629.703   11.181 -10.75922 15.72029 
1 1 1  -15    5   20 o  563.825   7.2206  859.679   21.997  849.785   30.865  869.893   31.359  560.529   10.190  567.120   10.233 -6.590576 14.44124 
1 1 1  -15    5   21 o  651.856   8.1743  1148.27   28.771  1119.58   39.758  1179.81   41.688  643.326   11.437  660.385   11.682 -17.05988 16.34856 
1 1 1  -15    5   22 o  1184.95   14.225  3806.21   91.070  3765.59  127.438  3848.61  130.191  1178.51   20.011  1191.39   20.223 -12.87805 28.45001 
1 1 1  -15    5   23 o  740.966   9.1703  1484.72   36.705  1461.02   51.115  1509.94   52.740  734.872   12.872  747.060   13.065 -12.18713 18.34050 
1 1 1  -15    5   24 o  249.276   4.7564  167.993   6.4049  165.464   9.1255  170.448   8.9918  247.425   6.8253  251.127   6.6262 -3.701279 9.512719 
1 1 1  -15    5   25 o  1107.11   13.325  3320.73   79.705  3289.31  111.652  3353.39  113.820  1101.78   18.754  1112.43   18.935 -10.64978 26.64990 
1 1 1  -15    5   26 o  613.653   7.8107  1018.22   25.894  1031.62   37.091  1005.47   36.167  617.589   11.114  609.717   10.977 7.871704 15.62142 
1 1 1  -15    5   27 o  739.351   9.1717  1479.09   36.642  1482.49   51.977  1475.74   51.664  740.193   12.995  738.510   12.946 1.683044 18.34337 
1 1 1  -15    5   28 o  344.938   5.4335  321.642   10.128  323.001   14.309  320.278   14.336  345.668   7.6604  344.207   7.7078 1.460876 10.86703 
1 1 1  -15    5   29 o  473.031   6.4494  604.857   16.482  596.093   23.046  614.033   23.583  469.526   9.0835  476.536   9.1581 -7.010071 12.89886 
1 1 1  -15    5   30 o  760.057   9.4335  1563.58   38.741  1551.59   54.409  1575.91   55.177  757.106   13.299  763.009   13.383 -5.902771 18.86690 
1 1 1  -15    5   31 o  842.469   10.356  1922.19   47.137  1940.07   67.353  1905.03   65.991  846.296   14.728  838.642   14.562 7.654480 20.71161 
1 1 1  -15    5   32 o  418.294   6.1819  473.070   13.971  465.051   19.590  481.372   19.932  414.688   8.7421  421.901   8.7430 -7.213898 12.36379 
1 1 1  -15    5   33 o  705.777   8.9227  1348.42   34.029  1347.13   48.087  1349.71   48.163  705.440   12.615  706.114   12.623 -0.6740112 17.84550 
1 1 1  -15    5   34 o  414.677   6.2333  465.034   13.966  468.857   19.912  461.332   19.594  416.353   8.8504  413.002   8.7800 3.351227 12.46662 
1 1 1  -15    5   35 o  297.979   5.9081  240.117   9.5128  238.865   13.382  241.395   13.526  297.195   8.3327  298.763   8.3780 -1.568176 11.81628 
1 1 1  -15    5   36 o  541.919   7.2970  794.429   21.362  781.190   29.782  808.458   30.658  537.276   10.258  546.562   10.381 -9.286133 14.59405 
1 1 1  -15    5   37 o  695.114   8.8338  1308.82   33.173  1324.10   47.548  1294.34   46.304  699.050   12.587  691.179   12.398 7.871277 17.66768 
1 1 1  -15    5   38 o  1096.60   13.322  3270.71   78.940  3271.17  111.688  3270.24  111.586  1096.68   18.847  1096.53   18.832 0.1502686 26.64322 
1 1 1  -15    5   39 o  311.315   5.8942  262.420   9.9103  255.029   14.097  269.642   13.935  306.968   8.4986  315.661   8.1696 -8.692932 11.78847 
1 1 1  -15    5   40 o  703.631   8.9314  1343.33   33.959  1336.10   47.926  1350.62   48.125  701.729   12.639  705.534   12.623 -3.805115 17.86290 
1 1 1  -15    5   41 o   72.698   17.682   13.287   8.4081   13.901   11.934   12.682   11.848   73.758   25.064   71.637   24.949 2.121338 35.36463 
1 1 1  -15    5   43 f  135.765   16.608   50.360   12.184   50.360   12.184   0.0000   0.0000  135.765   16.608  ?   ?       ?      ? 
1 1 1  -15    5   44 o  117.125   12.839   37.731   8.0891   38.941   11.041   36.329   11.885  119.254   17.134  114.996   19.126 4.257668 25.67816 
1 1 1  -15    5   45 o  188.885   6.3880   96.833   6.5154   96.376   9.3809   97.258   9.0559  188.438   9.2127  189.332   8.8516 -0.8940277 12.77594 
1 1 1  -15    5   46 o  341.825   5.8169  317.025   10.744  311.745   15.121  322.408   15.268  338.946   8.2557  344.704   8.1969 -5.758209 11.63383 
1 1 1  -15    5   47 o  393.683   6.0510  420.780   12.872  418.753   18.237  422.793   18.171  392.730   8.5935  394.636   8.5212 -1.905731 12.10210 
1 1 1  -15    5   48 f  126.251   8.3973   43.393   5.7153   45.626   8.4423   41.503   7.7653  129.214   12.091  123.287   11.656 5.927246 16.79457 
1 1 1  -15    5   49 o   54.890   13.970   7.2388   5.2945   6.7053   7.5575   7.7529   7.4196   53.958   19.793   55.822   19.721 -1.863976 27.94101 
1 1 1  -15    5   50 o  144.937   7.3686   57.267   5.7656   60.543   8.3506   54.282   7.9703  148.897   10.379  140.977   10.463 7.920425 14.73716 
1 1 1  -15    5   51 o   91.908   10.858   23.740   5.2298   27.930   7.5796   19.932   7.2253  100.580   13.946   83.237   16.645 17.34302 21.71548 
1 1 1  -15    5   52 o   83.963   12.233   20.067   5.4669   24.943   7.9981   15.791   7.4896   94.554   15.654   73.372   18.804 21.18133 24.46683 
1 1 1  -15    5   53 o   72.697   13.295   15.284   5.3666   20.417   7.8943   10.873   7.3176   83.533   18.018   61.861   19.554 21.67271 26.58991 
1 1 1  -15    5   54 o  303.882   5.6735  251.798   9.3068  259.282   13.538  245.092   12.816  308.115   8.1310  299.649   7.9147 8.465881 11.34707 
1 1 1  -15    5   55 o  214.547   6.0272  125.844   6.9770  129.538   10.205  122.602   9.5604  217.444   8.6852  211.651   8.3592 5.793259 12.05443 
1 1 1  -15    5   56 o  364.741   6.0070  364.169   11.824  377.411   17.265  352.472   16.226  370.898   8.6144  358.584   8.3742 12.31384 12.01402 
1 1 1  -15    5   57 o  128.605   8.4361   46.342   5.8303   42.428   8.4298   49.930   8.0724  123.119   12.671  134.090   11.141 -10.97128 16.87210 
1 1 1  -15    5   58 o  203.270   6.3098  114.157   6.9100  106.027   9.8844  121.928   9.6638  195.986   9.3333  210.553   8.4937 -14.56679 12.61958 
1 1 1  -15    5   59 o  107.676   9.9045   33.225   5.7205   30.264   8.3278   35.870   7.8714  102.697   15.007  112.655   12.931 -9.957855 19.80894 
1 1 1  -15    5   60 o   78.273   13.555   18.976   5.6894   20.320   8.1940   17.725   7.9058   81.038   19.036   75.508   19.302 5.529861 27.10957 
1 1 1  -15    5   61 o  236.995   6.0746  154.827   7.7683  163.840   11.356  146.900   10.650  243.434   8.6328  230.556   8.5485 12.87778 12.14914 
1 1 1  -15    5   62 o   72.871   14.045   16.791   5.7009   19.410   8.3324   14.486   7.8168   78.167   19.726   67.576   19.999 10.59152 28.09068 
1 1 1  -15    5   63 o   35.075   11.651  -7.1872   5.7851 -12.7948   8.4774  -2.3000   7.9142   31.519   15.364   38.631   17.521 -7.111637 23.30297 
1 1 1  -15    5   64 o   73.029   14.886   17.726   6.1953   17.227   9.0843   18.160   8.4707   71.779   21.632   74.280   20.454 -2.500427 29.77119 
1 1 1  -15    5   65 o  132.772   13.159   58.101   8.3548   67.005   10.596   43.468   13.583  152.080   12.894  113.464   22.943 38.61559 26.31803 
1 1 1  -15    5   66 o  171.356   9.8055   89.141   8.7061   87.839   10.893   91.441   14.485  172.499   11.686  170.213   15.749 2.285797 19.61091 
1 1 1  -15    5   67 o  153.745   15.413   73.086   12.805   0.0000   0.0000   73.086   12.805  ?   ?   153.745   15.413      ?      ? 
1 1 1  -15    6    1 o  209.840   5.9995  119.031   6.8029  119.031   6.8029   0.0000   0.0000  209.840   5.9995  ?   ?       ?      ? 
1 1 1  -15    6    2 o  429.813   5.7821  499.616   13.429  496.029   18.982  503.210   19.001  428.267   8.2023  431.359   8.1519 -3.091553 11.56426 
1 1 1  -15    6    3 o  558.901   7.1251  845.166   21.517  848.213   30.654  842.206   30.210  559.890   10.132  557.913   10.021 1.977295 14.25019 
1 1 1  -15    6    4 o  772.620   9.4790  1617.04   39.574  1613.01   55.925  1621.08   56.008  771.655   13.412  773.586   13.398 -1.930603 18.95794 
1 1 1  -15    6    5 o  356.845   5.1166  344.313   9.8654  338.718   13.927  349.946   13.976  353.934   7.2822  359.756   7.1894 -5.821930 10.23316 
1 1 1  -15    6    6 o  693.147   10.543  1296.14   37.039  1284.57   45.047  1320.27   65.080  688.783   12.103  697.511   17.267 -8.728455 21.08608 
1 1 1  -15    6    7 o  371.470   7.3604  373.401   14.773  374.775   21.064  372.072   20.725  372.138   10.475  370.801   10.343 1.336792 14.72090 
1 1 1  -15    6    8 o  673.119   11.846  1228.79   43.073  1245.95   61.828  1212.61   60.040  677.660   16.884  668.577   16.619 9.082703 23.69116 
1 1 1  -15    6    9 o  320.190   6.7803  276.999   11.724  266.216   16.239  288.739   16.943  313.690   9.5799  326.689   9.5978 -12.99924 13.56069 
1 1 1  -15    6   10 o  599.520   9.2396  981.532   28.547  945.946   47.804  1001.26   35.590  590.780   14.975  608.259   10.828 -17.47943 18.47925 
1 1 1  -15    6   11 o  685.824   10.508  1259.53   36.079  1314.64   65.258  1235.27   43.298  696.128   17.348  675.519   11.862 20.60907 21.01567 
1 1 1  -15    6   12 o  249.959   6.2093  168.985   8.3865  167.185   11.857  170.788   11.864  248.625   8.8253  251.293   8.7371 -2.667786 12.41863 
1 1 1  -15    6   13 o  147.110   6.1074   57.828   4.8241   65.135   7.3412   52.275   6.3998  155.189   8.7542  139.031   8.5186 16.15822 12.21487 
1 1 1  -15    6   14 o  628.103   9.6347  1072.77   31.072  1082.49   38.463  1054.50   52.719  632.455   11.255  623.751   15.641 8.704102 19.26945 
1 1 1  -15    6   15 o  197.998   4.3675  106.142   4.6634  102.672   6.7447  109.320   6.4551  194.889   6.4045  201.107   5.9400 -6.218079 8.735059 
1 1 1  -15    6   16 o  695.679   8.6449  1309.43   32.492  1290.22   45.409  1329.58   46.512  690.458   12.171  700.900   12.281 -10.44202 17.28986 
1 1 1  -15    6   17 o  837.220   10.231  1896.74   46.262  1859.46   64.191  1937.04   66.733  828.682   14.335  845.758   14.602 -17.07587 20.46227 
1 1 1  -15    6   18 o  552.522   7.1098  825.356   21.222  811.393   29.620  840.086   30.422  547.724   10.008  557.319   10.102 -9.594788 14.21959 
1 1 1  -15    6   19 f  529.069   6.8781  756.916   19.663  748.172   27.641  765.875   27.977  525.976   9.7251  532.162   9.7291 -6.186218 13.75624 
1 1 1  -15    6   20 f  411.493   5.7360  457.114   12.744  441.052   17.603  474.808   18.476  403.909   8.0650  419.077   8.1587 -15.16852 11.47210 
1 1 1  -15    6   21 o  505.757   6.6561  691.611   18.190  684.587   25.652  698.715   25.798  503.173   9.4345  508.340   9.3918 -5.167358 13.31226 
1 1 1  -15    6   22 o  888.636   10.824  2137.30   51.973  2117.56   72.889  2157.71   74.129  884.470   15.251  892.803   15.365 -8.333069 21.64897 
1 1 1  -15    6   23 o  1007.92   12.184  2751.11   66.360  2756.83   94.160  2745.46   93.538  1008.96   17.270  1006.89   17.192 2.072510 24.36850 
1 1 1  -15    6   24 o  554.536   7.1821  831.411   21.518  838.580   30.739  824.521   30.133  556.877   10.215  552.194   10.099 4.682678 14.36413 
1 1 1  -15    6   25 o  349.466   5.3619  329.840   10.121  320.070   14.061  340.344   14.579  344.102   7.5619  354.831   7.6037 -10.72940 10.72377 
1 1 1  -15    6   26 o  962.889   11.687  2506.46   60.720  2430.53   83.240  2592.82   88.769  947.368   16.260  978.411   16.790 -31.04242 23.37301 
1 1 1  -15    6   27 o  584.814   7.5461  924.963   23.847  920.685   33.646  929.281   33.803  583.455   10.672  586.172   10.672 -2.717285 15.09222 
1 1 1  -15    6   28 o  435.380   6.1533  511.787   14.463  496.585   19.937  528.673   21.013  428.568   8.6091  442.191   8.7940 -13.62308 12.30657 
1 1 1  -15    6   29 o  693.534   8.7125  1301.55   32.651  1298.43   46.155  1304.67   46.196  692.702   12.331  694.367   12.312 -1.664734 17.42493 
1 1 1  -15    6   30 o  308.949   5.3907  257.839   8.9950  247.002   12.531  269.358   12.920  302.256   7.6721  315.641   7.5748 -13.38516 10.78145 
1 1 1  -15    6   31 o  192.044   5.9506   99.756   6.1736   97.593   8.7574  101.893   8.7044  189.972   8.5309  194.116   8.2983 -4.144318 11.90118 
1 1 1  -15    6   32 o  983.324   11.971  2621.36   63.609  2621.63   90.066  2621.10   89.849  983.370   16.949  983.279   16.910 0.9057617E-01 23.94231 
1 1 1  -15    6   33 o  626.734   8.0867  1061.19   27.355  1026.21   37.591  1100.57   39.882  615.788   11.297  637.681   11.574 -21.89282 16.17344 
1 1 1  -15    6   34 o  826.321   10.243  1850.09   45.733  1841.39   64.409  1858.94   64.948  824.365   14.459  828.276   14.511 -3.911682 20.48505 
1 1 1  -15    6   35 o  396.039   6.2238  424.034   13.316  411.690   18.612  436.979   19.059  390.136   8.8285  401.943   8.7750 -11.80682 12.44763 
1 1 1  -15    6   36 f  303.808   5.7685  249.629   9.4692  245.355   13.308  254.012   13.476  301.174   8.1775  306.442   8.1381 -5.268524 11.53693 
1 1 1  -15    6   37 o  193.328   6.6756  101.130   6.9733   99.907   9.7888  102.391   9.9363  192.141   9.4281  194.514   9.4533 -2.373611 13.35117 
1 1 1  -15    6   38 o  165.055   7.3882   73.445   6.5745   79.112   9.6968   68.623   8.9442  170.920   10.499  159.190   10.398 11.72992 14.77644 
1 1 1  -15    6   39 o  420.069   6.2856  477.503   14.260  484.260   20.567  471.248   19.788  422.919   8.9998  417.220   8.7771 5.699127 12.57110 
1 1 1  -15    6   40 o  489.263   8.3418  649.523   20.788  648.423   35.992  650.073   25.464  488.638   13.631  489.888   9.6193 -1.250092 16.68351 
1 1 1  -15    6   41 o  709.461   12.749  1372.87   48.851  1349.32   67.859  1398.20   70.383  703.218   17.858  715.705   18.199 -12.48706 25.49711 
1 1 1  -15    6   43 o  111.906   14.684   36.662   8.4575   50.428   11.789   22.063   12.140  135.867   16.057   87.946   24.588 47.92140 29.36701 
1 1 1  -15    6   44 o  256.745   7.0147  177.202   9.0767  183.806   16.189  174.174   10.962  259.986   11.524  253.505   8.0021 6.481766 14.02946 
1 1 1  -15    6   45 o  377.525   5.9800  386.704   12.199  386.012   17.277  387.392   17.227  377.185   8.4769  377.866   8.4371 -0.6810303 11.96004 
1 1 1  -15    6   46 o  352.441   5.8742  337.106   11.185  336.204   15.953  337.978   15.688  351.962   8.3880  352.920   8.2260 -0.9576416 11.74844 
1 1 1  -15    6   47 o  150.071   7.2505   61.325   5.8626   60.935   8.6104   61.663   8.0047  149.581   10.653  150.561   9.8389 -0.9790039 14.50108 
1 1 1  -15    6   48 o  190.356   6.4008   98.493   6.5793  100.765   9.5222   96.418   9.1011  192.439   9.1570  188.272   8.9458 4.167236 12.80152 
1 1 1  -15    6   49 o  264.698   5.7306  190.494   8.1934  190.148   11.749  190.821   11.432  264.440   8.2223  264.956   7.9845 -0.5152893 11.46119 
1 1 1  -15    6   50 o  129.504   8.4046   46.016   5.8732   43.249   8.3091   48.777   8.3028  125.554   12.247  133.455   11.513 -7.900902 16.80928 
1 1 1  -15    6   51 o  316.642   5.7728  272.481   9.8624  283.578   14.439  262.777   13.503  322.635   8.2823  310.649   8.0438 11.98593 11.54554 
1 1 1  -15    6   52 o   79.558   12.961   18.615   5.4680   16.576   7.8382   20.548   7.6318   75.042   19.239   84.074   17.373 -9.032936 25.92240 
1 1 1  -15    6   53 o  145.710   7.4391   58.166   5.8483   60.939   8.5676   55.746   8.0026  148.926   10.646  142.495   10.393 6.431381 14.87827 
1 1 1  -15    6   54 o   30.168   10.334 -11.1929   5.1275 -11.7511   7.8517 -10.7778   6.7707   31.488   15.216   28.849   13.986 2.638962 20.66716 
1 1 1  -15    6   55 o  278.359   5.7531  211.011   8.6257  223.780   12.840  200.509   11.645  285.924   8.3102  270.795   7.9581 15.12933 11.50613 
1 1 1  -15    6   56 f   87.409   11.930   22.150   5.5127   25.964   8.0741   18.820   7.5450   95.518   15.643   79.300   18.017 16.21778 23.86048 
1 1 1  -15    6   57 o  220.466   6.1612  133.420   7.3224  136.212   10.780  131.028   9.9777  222.494   8.9659  218.439   8.4531 4.055145 12.32244 
1 1 1  -15    6   58 o   56.543   12.860   6.0059   5.5077   18.065   8.1192  -4.2734   7.4962   76.658   19.542   36.427   16.721 40.23104 25.71934 
1 1 1  -15    6   59 o   88.449   11.878   23.913   5.7037   42.202   8.3552   7.9513   7.8053  122.219   12.651   54.679   20.107 67.54066 23.75552 
1 1 1  -15    6   60 o   92.201   12.238   25.627   5.8632   25.491   8.5487   25.747   8.0567   91.644   17.905   92.757   16.688 -1.112915 24.47550 
1 1 1  -15    6   61 o  174.122   7.2158   84.309   6.7676   90.490   10.075   79.227   9.1352  179.810   10.370  168.433   10.037 11.37776 14.43159 
1 1 1  -15    6   62 o  279.707   6.1011  216.613   9.2009  222.738   13.543  211.363   12.539  283.184   8.8502  276.231   8.4006 6.953033 12.20228 
1 1 1  -15    6   63 o  181.533   7.3543   94.196   7.1392   83.860   10.441  103.274   9.7840  171.356   11.276  191.710   9.4446 -20.35342 14.70858 
1 1 1  -15    6   65 o   84.290   14.671   26.381   7.9227   38.479   10.206   8.0360   12.568  111.649   16.917   56.931   23.974 54.71734 29.34181 
1 1 1  -15    6   66 o   37.046   12.812 -13.3234   7.0528  -2.8311   13.151 -17.5599   8.3562   46.113   21.506   27.979   13.932 18.13374 25.62462 
1 1 1  -15    6   67 o   77.805   25.058   24.865   11.974   0.0000   0.0000   24.865   11.974  ?   ?    77.805   25.058      ?      ? 
1 1 1  -15    7    1 f  591.345   7.4967  946.342   23.954  947.405   34.026  945.296   33.729  591.671   10.642  591.019   10.561 0.6514282 14.99334 
1 1 1  -15    7    2 o  691.222   8.5887  1293.45   32.074  1305.42   45.881  1282.01   44.855  694.340   12.229  688.105   12.063 6.235596 17.17747 
1 1 1  -15    7    3 o  186.784   7.8279   94.347   7.9009   0.0000   0.0000   94.347   7.9009  ?   ?   186.784   7.8279      ?      ? 
1 1 1  -15    7    4 o  126.378   6.3974   43.011   4.3447   44.955   6.5533   41.486   5.8035  128.908   9.4079  123.848   8.6718 5.060799 12.79488 
1 1 1  -15    7    5 o  687.028   12.065  1280.53   44.789  1270.95   63.001  1290.31   63.688  684.435   17.034  689.622   17.091 -5.186218 24.13011 
1 1 1  -15    7    6 o  413.295   7.9756  461.555   17.795  445.045   24.510  479.955   25.876  405.500   11.186  421.091   11.372 -15.59131 15.95127 
1 1 1  -15    7    7 o  398.163   7.7973  429.034   16.774  430.180   23.931  427.928   23.518  398.681   11.108  397.646   10.945 1.035156 15.59453 
1 1 1  -15    7    8 o  477.500   7.7064  622.937   18.957  597.072   31.725  637.301   23.642  469.595   12.502  485.404   9.0135 -15.80948 15.41282 
1 1 1  -15    7    9 o  776.317   9.5514  1631.09   40.042  1663.87   57.872  1600.99   55.462  783.772   13.664  768.862   13.349 14.91034 19.10287 
1 1 1  -15    7   10 o  330.667   6.9804  295.610   12.473   0.0000   0.0000  295.610   12.473  ?   ?   330.667   6.9804      ?      ? 
1 1 1  -15    7   11 o  514.812   9.4933  717.505   26.401  727.252   37.918  708.333   36.780  518.194   13.541  511.430   13.309 6.763763 18.98669 
1 1 1  -15    7   12 o  580.825   10.472  912.288   32.816  943.919   48.071  884.685   44.907  590.205   15.073  571.444   14.543 18.76105 20.94485 
1 1 1  -15    7   13 o  674.212   10.300  1231.56   35.445  1231.92   43.503  1230.86   61.138  674.650   11.933  673.775   16.792 0.8745728 20.60038 
1 1 1  -15    7   14 o  449.172   6.0567  545.587   14.700  544.299   20.891  546.849   20.688  448.645   8.6171  449.699   8.5136 -1.054291 12.11342 
1 1 1  -15    7   15 o  642.320   8.0695  1116.27   28.008  1109.75   39.498  1122.85   39.721  640.435   11.413  644.205   11.411 -3.769226 16.13895 
1 1 1  -15    7   16 o  198.865   4.4939  106.545   4.8043  110.211   7.2196  103.631   6.4361  201.922   6.6167  195.809   6.0828 6.112976 8.987881 
1 1 1  -15    7   17 o  275.703   4.7400  205.490   7.0609  202.696   10.013  208.255   9.9588  273.837   6.7665  277.569   6.6397 -3.731720 9.480074 
1 1 1  -15    7   18 o  594.730   7.5715  956.695   24.332  949.374   34.302  964.109   34.521  592.439   10.715  597.020   10.701 -4.580566 15.14309 
1 1 1  -15    7   19 o  1122.72   13.514  3413.62   81.924  3334.18  113.159  3501.11  118.759  1109.05   18.882  1136.38   19.340 -27.33362 27.02899 
1 1 1  -15    7   20 o  482.296   6.4277  628.928   16.751  627.111   23.752  630.726   23.628  481.602   9.1270  482.991   9.0532 -1.388916 12.85547 
1 1 1  -15    7   21 o  402.079   5.6855  437.039   12.352  435.358   17.537  438.693   17.402  401.311   8.0869  402.848   7.9939 -1.536224 11.37103 
1 1 1  -15    7   22 o  602.802   7.6855  982.301   25.028  966.365   34.938  999.099   35.871  597.784   10.816  607.819   10.921 -10.03503 15.37092 
1 1 1  -15    7   23 o  738.169   9.1556  1473.33   36.504  1445.05   50.733  1503.69   52.566  730.836   12.846  745.502   13.049 -14.66528 18.31122 
1 1 1  -15    7   24 o  479.991   6.4443  622.881   16.714  615.725   23.533  630.165   23.743  477.209   9.1259  482.773   9.1013 -5.564484 12.88858 
1 1 1  -15    7   25 o  732.627   9.1042  1451.08   36.021  1419.04   49.900  1485.94   52.049  724.200   12.751  741.055   12.998 -16.85455 18.20835 
1 1 1  -15    7   26 o  948.969   11.539  2438.80   59.169  2428.89   83.436  2448.82   83.921  947.031   16.304  950.906   16.332 -3.874268 23.07742 
1 1 1  -15    7   27 o  610.169   7.8291  1006.91   25.812  997.058   36.239  1017.06   36.774  607.141   11.046  613.197   11.098 -6.055359 15.65814 
1 1 1  -15    7   28 o  323.803   5.4708  283.231   9.5670  270.181   13.343  297.040   13.725  316.130   7.8107  331.475   7.6624 -15.34506 10.94166 
1 1 1  -15    7   29 o  665.731   8.4317  1198.70   30.321  1176.02   42.204  1222.91   43.591  659.231   11.848  672.231   12.000 -13.00024 16.86342 
1 1 1  -15    7   30 o  296.662   5.5290  237.354   8.8520  224.054   12.172  252.285   12.897  287.863   7.8250  305.461   7.8134 -17.59747 11.05802 
1 1 1  -15    7   31 o  150.947   7.0077   61.620   5.7152   62.947   8.1460   60.333   8.0206  152.548   9.8821  149.346   9.9386 3.202271 14.01540 
1 1 1  -15    7   32 o  750.130   9.3864  1523.16   38.040  1500.10   53.148  1547.38   54.469  744.318   13.214  755.942   13.334 -11.62427 18.77288 
1 1 1  -15    7   33 o  434.975   6.4021  511.725   15.047  506.438   21.162  517.132   21.400  432.703   9.0507  437.247   9.0571 -4.544373 12.80414 
1 1 1  -15    7   34 o  540.931   7.3034  791.721   21.346  792.752   30.413  790.720   29.967  541.272   10.398  540.589   10.259 0.6832886 14.60689 
1 1 1  -15    7   35 o  649.248   8.3709  1141.24   29.364  1125.87   41.131  1157.21   41.935  644.796   11.805  653.701   11.872 -8.904541 16.74175 
1 1 1  -15    7   36 o  199.289   6.6638  107.406   7.1731  103.253   10.009  111.791   10.285  195.329   9.4827  203.249   9.3649 -7.919647 13.32754 
1 1 1  -15    7   37 o  290.374   5.8487  227.964   9.1695  231.533   13.281  224.712   12.675  292.538   8.4015  288.209   8.1390 4.328766 11.69737 
1 1 1  -15    7   38 o  358.478   5.9812  347.835   11.585  343.868   16.415  351.772   16.353  356.436   8.5226  360.519   8.3942 -4.082672 11.96233 
1 1 1  -15    7   39 o  461.081   6.6437  575.562   16.550  563.141   23.165  588.510   23.653  456.001   9.4012  466.160   9.3899 -10.15942 13.28733 
1 1 1  -15    7   40 o  832.834   14.688  1896.91   66.078  1867.57   92.021  1928.15   94.945  826.268   20.610  839.401   20.932 -13.13281 29.37573 
1 1 1  -15    7   41 o  486.744   13.861  644.369   36.458  644.369   36.458   0.0000   0.0000  486.744   13.861  ?   ?       ?      ? 
1 1 1  -15    7   42 o  147.320   15.472   59.212   12.317   59.212   12.317   0.0000   0.0000  147.320   15.472  ?   ?       ?      ? 
1 1 1  -15    7   43 o  283.756   8.3606  218.884   12.777  195.698   17.810  243.468   18.340  268.205   12.289  299.307   11.339 -31.10190 16.72126 
1 1 1  -15    7   44 o  326.248   5.7439  288.527   10.119  290.190   14.608  286.992   14.030  327.132   8.2639  325.364   7.9799 1.767822 11.48787 
1 1 1  -15    7   45 o  262.479   5.7759  186.254   8.1762  202.578   11.956  171.913   11.206  273.253   8.0970  251.705   8.2392 21.54822 11.55188 
1 1 1  -15    7   46 o  183.891   6.6314   91.922   6.5740  100.238   9.3829   83.902   9.2136  192.101   9.0390  175.680   9.7056 16.42050 13.26277 
1 1 1  -15    7   47 o   80.617   12.587   18.856   5.3402   16.004   7.8113   21.357   7.3172   74.525   19.258   86.708   16.213 -12.18372 25.17437 
1 1 1  -15    7   48 o  392.652   6.1063  418.957   12.940  427.354   18.848  411.469   17.798  396.319   8.8008  388.984   8.4672 7.334534 12.21262 
1 1 1  -15    7   49 o  174.581   7.0833   82.791   6.6662   88.749   9.8504   77.757   9.0546  180.335   10.109  168.828   9.9251 11.50607 14.16656 
1 1 1  -15    7   50 o  391.529   6.1301  417.519   12.965  420.148   18.603  415.036   18.079  392.691   8.7669  390.367   8.5705 2.324249 12.26024 
1 1 1  -15    7   51 o  279.759   5.7945  213.571   8.7479  202.730   12.445  224.157   12.299  272.658   8.4471  286.861   7.9342 -14.20288 11.58895 
1 1 1  -15    7   52 o  370.254   5.9960  373.611   11.981  384.661   17.487  363.836   16.447  375.342   8.6219  365.166   8.3350 10.17661 11.99208 
1 1 1  -15    7   53 o  117.798   9.2353   39.183   5.7620   31.669   8.3672   45.959   7.9464  106.494   14.540  129.101   11.391 -22.60753 18.47069 
1 1 1  -15    7   54 o  272.939   5.7289  203.526   8.4383  207.035   12.293  200.400   11.604  275.094   8.2695  270.785   7.9306 4.308868 11.45770 
1 1 1  -15    7   55 o  130.522   8.1849   47.743   5.7050   40.634   8.2191   54.352   7.9251  120.735   12.598  140.310   10.453 -19.57465 16.36979 
1 1 1  -15    7   56 o   58.559   11.711   7.5911   5.3437  -7.7147   7.9736   20.070   7.1998   34.746   16.376   82.372   16.746 -47.62584 23.42225 
1 1 1  -15    7   57 o   34.854   11.183  -7.3756   5.1375 -18.0633   7.5451   1.8627   7.0148   26.650   13.265   43.058   18.008 -16.40797 22.36666 
1 1 1  -15    7   58 o   42.865   12.917   0.1546   5.4874  -4.4794   7.8671   4.5453   7.6578   37.196   17.095   48.535   19.369 -11.33981 25.83417 
1 1 1  -15    7   59 f   88.612   12.542   23.906   5.7884   21.960   8.3375   25.718   8.0425   84.497   18.750   92.728   16.663 -8.231079 25.08450 
1 1 1  -15    7   60 o  204.603   6.4631  115.871   7.1362  117.358   10.389  114.543   9.8194  205.731   9.3449  203.474   8.9308 2.257401 12.92616 
1 1 1  -15    7   61 o   55.439   14.299   7.8335   5.8016   13.101   8.5174   3.2744   7.9242   64.547   21.159   46.330   19.238 18.21783 28.59713 
1 1 1  -15    7   62 o  106.130   11.081   33.332   6.3472   33.068   9.1679   33.575   8.7963  105.479   16.085  106.781   15.245 -1.301826 22.16123 
1 1 1  -15    7   63 o   35.129   11.859  -9.5359   6.3063  -5.4314   9.1667 -13.2240   8.6892   38.513   17.959   31.746   15.492 6.766212 23.71801 
1 1 1  -15    7   64 o  198.256   9.7207  121.044   9.6802  151.215   12.860   81.599   14.704  231.642   10.274  164.870   16.505 66.77257 19.44136 
1 1 1  -15    7   65 o   67.244   16.789   16.757   7.1869   18.538   13.665   16.076   8.4500   67.614   26.204   66.875   20.996 0.7390747 33.57757 
1 1 1  -15    7   66 o   69.020   24.372   17.986   11.331   0.0000   0.0000   17.986   11.331  ?   ?    69.020   24.372      ?      ? 
1 1 1  -15    7   67 f  108.690   15.832   45.843   9.1855   30.293   13.374   59.730   12.638   82.900   26.460  134.481   17.391 -51.58076 31.66334 
1 1 1  -15    8    1 f  1324.73   22.595  4804.94  161.709  4750.00  225.966  4862.61  231.516  1317.09   31.750  1332.38   32.156 -15.29333 45.18933 
1 1 1  -15    8    2 o  658.430   11.623  1175.51   41.353  1168.69   58.266  1182.43   58.702  656.508   16.424  660.352   16.451 -3.843750 23.24623 
1 1 1  -15    8    3 o  201.156   6.0011  109.354   6.5154  110.968   9.4753  107.905   8.9734  202.560   8.6567  199.753   8.3134 2.807434 12.00213 
1 1 1  -15    8    4 o  871.453   15.044  2063.52   70.827  2034.91   98.852  2093.69  101.530  865.281   21.142  877.625   21.409 -12.34308 30.08853 
1 1 1  -15    8    5 o  607.914   9.4068  1003.68   29.263  991.892   50.069  1009.79   36.063  604.965   15.316  610.864   10.925 -5.898804 18.81356 
1 1 1  -15    8    6 o  182.275   6.2066   89.811   6.1132   0.0000   0.0000   89.811   6.1132  ?   ?   182.275   6.2066      ?      ? 
1 1 1  -15    8    7 o  338.301   5.1058  309.480   9.3301  307.459   13.359  311.405   13.037  337.218   7.3310  339.383   7.1087 -2.164703 10.21163 
1 1 1  -15    8    8 o  297.304   4.8263  238.433   7.7362  246.448   11.398  231.586   10.534  301.922   6.9863  292.686   6.6605 9.236725 9.652542 
1 1 1  -15    8    9 o  564.219   8.9843  841.383   25.019  912.162   46.824  813.101   29.598  580.207   14.935  548.231   9.9912 31.97577 17.96863 
1 1 1  -15    8   10 o  888.774   15.369  2144.27   73.731  2202.03  107.282  2092.57  101.502  900.023   22.059  877.525   21.406 22.49835 30.73742 
1 1 1  -15    8   11 o  527.055   9.7129  752.244   27.662  747.072   39.090  757.432   39.151  525.237   13.773  528.873   13.699 -3.635864 19.42578 
1 1 1  -15    8   12 o  234.397   9.0198  148.581   11.424   0.0000   0.0000  148.581   11.424  ?   ?   234.397   9.0198      ?      ? 
1 1 1  -15    8   13 o  564.421   7.2629  861.707   22.150  862.038   31.492  861.383   31.161  564.525   10.324  564.317   10.219 0.2077637 14.52588 
1 1 1  -15    8   14 o   48.199   9.9794   6.3302   3.0051   2.3472   4.5329   9.4532   4.0139   38.445   15.038   57.952   13.123 -19.50606 19.95878 
1 1 1  -15    8   15 o  512.820   6.7390  710.610   18.660  725.500   27.029  697.050   25.793  517.942   9.6573  507.698   9.4017 10.24411 13.47797 
1 1 1  -15    8   16 o  400.103   7.9425  432.789   17.172   0.0000   0.0000  432.789   17.172  ?   ?   400.103   7.9425      ?      ? 
1 1 1  -15    8   17 o  1105.53   13.327  3313.32   79.614  3313.65  112.760  3313.00  112.424  1105.58   18.875  1105.48   18.820 0.9777832E-01 26.65409 
1 1 1  -15    8   18 o  568.400   7.3245  873.747   22.496  869.502   31.853  877.972   31.776  567.020   10.396  569.779   10.321 -2.758972 14.64897 
1 1 1  -15    8   19 o  791.826   9.7470  1696.67   41.705  1690.74   58.902  1702.64   59.057  790.437   13.790  793.216   13.778 -2.778564 19.49399 
1 1 1  -15    8   20 o  388.371   5.6228  407.590   11.796  412.529   16.945  402.946   16.431  390.651   8.0273  386.091   7.8758 4.560455 11.24569 
1 1 1  -15    8   21 o  486.382   6.5145  638.596   17.106  616.942   23.582  662.643   24.851  477.696   9.1357  495.068   9.2895 -17.37152 13.02900 
1 1 1  -15    8   22 o  654.935   8.2615  1160.15   29.237  1150.25   41.127  1170.27   41.570  652.111   11.671  657.760   11.696 -5.648987 16.52292 
1 1 1  -15    8   23 o  906.021   11.045  2222.33   54.072  2203.54   75.948  2241.65   77.001  902.143   15.579  909.899   15.661 -7.756897 22.09024 
1 1 1  -15    8   24 o  325.035   5.2317  285.464   9.1869  277.925   12.853  293.339   13.136  320.649   7.4178  329.422   7.3797 -8.772858 10.46347 
1 1 1  -15    8   25 o  845.747   10.375  1936.26   47.416  1938.81   67.280  1933.74   66.834  846.296   14.712  845.198   14.634 1.097229 20.75071 
1 1 1  -15    8   26 o  723.859   9.0401  1417.61   35.355  1428.02   50.501  1407.61   49.513  726.457   12.865  721.261   12.704 5.196289 18.08022 
1 1 1  -15    8   27 o  1010.11   12.256  2762.67   66.854  2703.72   92.557  2826.97   96.669  998.889   17.148  1021.34   17.516 -22.44830 24.51223 
1 1 1  -15    8   28 o  506.041   6.8342  692.473   18.686  683.921   26.199  701.328   26.659  502.863   9.6417  509.219   9.6884 -6.356506 13.66846 
1 1 1  -15    8   29 o  857.780   10.554  1992.99   48.910  2010.40   69.982  1976.36   68.385  861.425   15.034  854.135   14.817 7.290100 21.10824 
1 1 1  -15    8   30 o  765.092   9.5471  1583.82   39.451  1549.54   54.746  1620.85   56.901  756.500   13.392  773.684   13.610 -17.18427 19.09424 
1 1 1  -15    8   31 o  108.532   9.7219   31.932   5.6855   28.968   7.9910   34.971   8.0909  103.416   14.300  113.648   13.175 -10.23207 19.44378 
1 1 1  -15    8   32 o  284.708   5.8228  219.404   8.9425  215.606   12.974  222.842   12.343  282.349   8.5034  287.066   7.9570 -4.716949 11.64566 
1 1 1  -15    8   33 o  159.478   7.7789   68.860   6.7005   67.190   9.5359   70.489   9.4172  157.562   11.200  161.394   10.798 -3.831619 15.55771 
1 1 1  -15    8   34 o  442.349   6.5295  529.350   15.607  523.238   21.999  535.544   22.145  439.777   9.2571  444.921   9.2110 -5.144226 13.05899 
1 1 1  -15    8   35 o  390.284   6.2239  412.116   13.124  403.105   18.501  421.244   18.621  385.985   8.8702  394.583   8.7332 -8.597656 12.44789 
1 1 1  -15    8   36 o  223.069   6.4290  135.057   7.7260  126.121   11.100  143.455   10.760  215.874   9.5156  230.265   8.6478 -14.39075 12.85810 
1 1 1  -15    8   37 o  771.357   9.6786  1614.37   40.340  1601.81   56.752  1627.20   57.352  768.330   13.669  774.385   13.706 -6.055359 19.35716 
1 1 1  -15    8   38 o  331.457   5.9423  297.533   10.638  289.473   15.134  305.405   14.956  327.006   8.5645  335.909   8.2398 -8.902710 11.88463 
1 1 1  -15    8   39 o  497.214   9.7498  670.737   26.178  649.549   36.216  693.919   37.882  489.017   13.705  505.410   13.871 -16.39349 19.49957 
1 1 1  -15    8   40 o  191.382   13.562   99.550   14.025   99.550   14.025   0.0000   0.0000  191.382   13.562  ?   ?       ?      ? 
1 1 1  -15    8   41 o  203.048   14.289  112.275   15.678  112.275   15.678   0.0000   0.0000  203.048   14.289  ?   ?       ?      ? 
1 1 1  -15    8   42 o  571.183   10.888  890.447   33.589  896.847   48.314  884.459   46.731  573.091   15.601  569.275   15.191 3.815552 21.77549 
1 1 1  -15    8   43 f   62.605   15.554   9.6555   6.1685   8.3221   11.461   10.199   7.3191   63.807   24.180   61.402   19.572 2.404984 31.10818 
1 1 1  -15    8   44 o  421.903   6.3051  483.030   14.369  490.345   20.669  476.189   19.989  424.974   9.0008  418.832   8.8319 6.141541 12.61019 
1 1 1  -15    8   45 o  295.079   5.7161  236.376   9.1084  231.173   13.024  241.357   12.743  291.872   8.2575  298.286   7.9061 -6.413879 11.43211 
1 1 1  -15    8   46 o  114.631   9.4053   36.114   5.7905   34.141   8.5266   37.803   7.8886  111.619   14.137  117.643   12.409 -6.023880 18.81063 
1 1 1  -15    8   47 o  471.398   6.7166  604.156   17.084  619.936   24.968  590.266   23.425  477.106   9.6847  465.690   9.3089 11.41650 13.43313 
1 1 1  -15    8   48 o   96.949   11.177   26.766   5.6223   22.245   8.1575   30.857   7.7596   87.952   17.776  105.945   13.554 -17.99291 22.35364 
1 1 1  -15    8   49 o  224.407   6.1013  137.098   7.3961  137.368   10.603  136.843   10.322  224.600   8.7364  224.214   8.5194 0.3862762 12.20266 
1 1 1  -15    8   50 f  388.527   6.1323  411.704   12.870  402.562   18.299  420.652   18.104  384.200   8.8144  392.855   8.5281 -8.654633 12.26465 
1 1 1  -15    8   51 o  129.631   8.3262   46.274   5.8160   46.142   8.5418   46.388   7.9411  129.366   12.219  129.897   11.313 -0.5307465 16.65238 
1 1 1  -15    8   52 o  437.083   6.5033  522.622   15.358  512.862   21.633  532.543   21.809  432.939   9.2470  441.227   9.1470 -8.288483 13.00668 
1 1 1  -15    8   53 o  122.582   8.4057   41.236   5.5355   44.857   8.3981   38.454   7.3607  127.218   12.217  117.946   11.549 9.272209 16.81147 
1 1 1  -15    8   54 o   59.814   13.300   9.6278   5.3153   2.6682   7.6664   16.070   7.3760   46.233   19.035   73.395   18.580 -27.16234 26.59971 
1 1 1  -15    8   55 o  165.172   7.0902   74.786   6.3050   81.730   9.4189   69.149   8.4869  172.034   10.132  158.310   9.9209 13.72350 14.18038 
1 1 1  -15    8   56 o   90.261   11.728   24.037   5.5329   20.362   8.0540   27.322   7.6138   82.228   18.566   98.294   14.335 -16.06607 23.45567 
1 1 1  -15    8   57 o   54.891   14.128   7.4553   5.5465   11.249   8.1618   4.1995   7.5606   61.882   20.729   47.899   19.201 13.98217 28.25521 
1 1 1  -15    8   58 o   50.607   13.790   5.9287   5.3283   6.0095   7.5872   5.8501   7.4845   50.831   19.574   50.383   19.430 0.4486198 27.57973 
1 1 1  -15    8   59 o  165.250   7.4005   75.522   6.5769   83.489   9.9054   69.241   8.7954  172.906   10.602  157.593   10.328 15.31247 14.80102 
1 1 1  -15    8   60 o   53.026   14.291   7.0632   5.7169   5.5376   8.2926   8.4449   7.8921   50.737   20.185   55.315   20.237 -4.578220 28.58242 
1 1 1  -15    8   61 o  157.747   7.9964   70.031   6.8012   73.697   10.032   66.914   9.2518  161.438   11.500  154.057   11.114 7.380890 15.99283 
1 1 1  -15    8   62 o  145.027   8.6656   60.545   6.7809   60.805   9.8638   60.312   9.3372  145.081   12.582  144.974   11.919 0.1067810 17.33113 
1 1 1  -15    8   63 o  165.045   9.6058   78.097   8.2681   74.827   10.339   83.896   13.770  161.754   11.829  168.336   15.138 -6.581894 19.21157 
1 1 1  -15    8   64 o   57.497   14.776   9.1418   6.4852   1.8147   9.3385   15.967   9.0131   46.135   20.066   68.859   21.695 -22.72422 29.55182 
1 1 1  -15    8   65 o   75.890   21.430   21.204   9.1739   0.0000   0.0000   21.204   9.1739  ?   ?    75.890   21.430      ?      ? 
1 1 1  -15    8   66 o   71.283   17.820   20.461   9.2547   11.423   14.076   27.342   12.283   59.469   25.225   83.097   25.178 -23.62807 35.64031 
1 1 1  -15    9    1 o  398.707   11.118  430.180   23.953  430.180   23.953   0.0000   0.0000  398.707   11.118  ?   ?       ?      ? 
1 1 1  -15    9    2 o  584.328   7.4848  923.809   23.633  917.654   33.325  930.035   33.520  582.370   10.590  586.286   10.580 -3.916199 14.96954 
1 1 1  -15    9    3 o  783.672   9.6662  1663.18   40.932  1652.28   57.605  1674.29   58.173  781.083   13.648  786.261   13.692 -5.178589 19.33250 
1 1 1  -15    9    4 o  300.838   7.0822  244.680   11.513  244.680   11.513   0.0000   0.0000  300.838   7.0822  ?   ?       ?      ? 
1 1 1  -15    9    5 o  325.929   5.0844  287.187   8.9507  287.651   12.859  286.751   12.466  326.181   7.2956  325.677   7.0838 0.5046387 10.16889 
1 1 1  -15    9    6 o  651.820   8.2148  1149.83   28.934  1145.24   40.879  1154.45   40.959  650.513   11.629  653.127   11.606 -2.613647 16.42962 
1 1 1  -15    9    7 o  596.051   10.747  961.231   34.614   0.0000   0.0000  961.231   34.614  ?   ?   596.051   10.747      ?      ? 
1 1 1  -15    9    8 o  527.606   8.5463  744.937   22.524  775.450   40.886  731.641   26.989  535.111   14.140  520.101   9.6030 15.01050 17.09250 
1 1 1  -15    9    9 o  557.907   10.241  841.521   30.828  868.018   45.080  818.243   42.253  566.120   14.736  549.695   14.225 16.42566 20.48170 
1 1 1  -15    9   10 o  579.103   10.542  907.731   32.971  923.198   47.602  893.468   45.711  583.825   15.089  574.381   14.728 9.443909 21.08497 
1 1 1  -15    9   11 o  291.886   4.9991  229.458   7.8693  211.954   10.780  249.429   11.514  280.011   7.1244  303.761   7.0148 -23.74982 9.998211 
1 1 1  -15    9   12 o  813.887   10.006  1793.32   44.002  1802.12   62.694  1784.77   61.773  815.847   14.221  811.927   14.080 3.920288 20.01185 
1 1 1  -15    9   13 o  571.590   10.398  883.704   32.115   0.0000   0.0000  883.704   32.115  ?   ?   571.590   10.398      ?      ? 
1 1 1  -15    9   14 o  620.555   7.8868  1041.65   26.443  1046.69   37.731  1036.78   37.070  622.026   11.226  619.084   11.081 2.941956 15.77352 
1 1 1  -15    9   15 o  501.809   6.6781  680.658   18.099  688.881   26.081  673.020   25.137  504.726   9.5626  498.892   9.3243 5.833557 13.35612 
1 1 1  -15    9   16 o  377.374   5.5369  385.044   11.289  381.030   16.074  388.950   15.857  375.431   7.9235  379.317   7.7362 -3.886688 11.07389 
1 1 1  -15    9   17 o  682.519   8.5604  1259.65   31.559  1276.78   45.388  1243.62   43.911  687.001   12.226  678.037   11.985 8.963928 17.12082 
1 1 1  -15    9   18 o  909.705   11.092  2240.26   54.523  2231.50   76.967  2249.10   77.249  907.917   15.688  911.492   15.684 -3.574951 22.18332 
1 1 1  -15    9   19 o  793.769   9.8000  1704.79   42.032  1711.39   59.854  1698.38   59.038  795.277   13.928  792.261   13.790 3.015808 19.60004 
1 1 1  -15    9   20 o  564.436   7.3236  861.050   22.325  874.893   32.200  848.237   30.980  568.797   10.476  560.076   10.236 8.720764 14.64717 
1 1 1  -15    9   21 o  208.770   5.0106  117.729   5.6404  118.991   8.2720  116.633   7.7109  209.811   7.2962  207.728   6.8695 2.083878 10.02117 
1 1 1  -15    9   22 o  1205.79   14.493  3942.19   94.426  3907.08  132.464  3978.45  134.640  1200.35   20.422  1211.23   20.571 -10.88110 28.98678 
1 1 1  -15    9   23 o  646.711   8.2006  1131.25   28.657  1120.42   40.308  1142.32   40.749  643.582   11.590  649.841   11.604 -6.258728 16.40127 
1 1 1  -15    9   24 o  157.072   6.0780   65.827   5.1213   74.254   7.8402   59.555   6.7636  165.723   8.7550  148.420   8.4334 17.30295 12.15610 
1 1 1  -15    9   25 o  975.158   11.857  2575.86   62.478  2560.78   87.977  2591.20   88.742  972.283   16.745  978.033   16.791 -5.749817 23.71391 
1 1 1  -15    9   26 o  1089.16   13.170  3216.36   77.509  3218.30  109.833  3214.43  109.396  1089.48   18.656  1088.84   18.593 0.6435547 26.33941 
1 1 1  -15    9   27 o  398.717   5.9381  429.926   12.792  425.562   18.194  434.192   17.989  396.712   8.4872  400.721   8.3074 -4.009277 11.87625 
1 1 1  -15    9   28 o  531.059   7.1084  762.906   20.396  763.589   29.077  762.244   28.618  531.288   10.128  530.830   9.9770 0.4584351 14.21690 
1 1 1  -15    9   29 o   99.685   15.293   26.923   8.2377   26.923   8.2377   0.0000   0.0000   99.685   15.293  ?   ?       ?      ? 
1 1 1  -15    9   30 o  188.740   6.5712   96.163   6.6811   98.610   9.8960   94.114   9.0567  190.935   9.5915  186.544   8.9846 4.390656 13.14235 
1 1 1  -15    9   31 o  478.227   6.7474  618.742   17.434  614.482   24.820  622.890   24.494  476.597   9.6374  479.858   9.4461 -3.261505 13.49480 
1 1 1  -15    9   32 o  781.082   9.7853  1651.22   41.266  1686.56   59.827  1619.14   56.995  789.019   14.032  773.145   13.642 15.87378 19.57061 
1 1 1  -15    9   33 o  543.076   7.3651  798.155   21.610  799.077   30.844  797.267   30.287  543.376   10.505  542.776   10.326 0.6004639 14.73030 
1 1 1  -15    9   34 o  287.076   6.0468  222.995   9.3782  225.315   13.175  220.611   13.352  288.594   8.4484  285.557   8.6532 3.037384 12.09359 
1 1 1  -15    9   35 o  604.831   7.9460  990.691   25.969  984.709   36.766  996.648   36.687  603.003   11.283  606.659   11.191 -3.656067 15.89206 
1 1 1  -15    9   36 o  709.101   9.0228  1362.78   34.563  1336.50   48.167  1390.67   49.624  702.070   12.696  716.132   12.824 -14.06207 18.04558 
1 1 1  -15    9   37 o  854.268   10.616  1978.83   48.925  1908.63   66.915  2059.45   71.714  838.105   14.775  870.431   15.247 -32.32611 21.23150 
1 1 1  -15    9   38 o  557.753   9.1544  853.529   26.338  813.063   43.863  876.347   32.938  546.896   14.842  568.611   10.720 -21.71478 18.30881 
1 1 1  -15    9   39 o  514.672   10.023  718.969   27.844  695.495   38.304  745.270   40.545  505.815   14.014  523.529   14.332 -17.71402 20.04513 
1 1 1  -15    9   41 f   49.016   15.235  -4.4589   7.9026   2.2279   11.986  -9.6014   10.511   56.706   23.613   41.326   19.258 15.38016 30.46997 
1 1 1  -15    9   42 o   84.014   15.106   18.456   6.7189   27.793   11.466   13.573   8.2915   98.409   22.103   69.619   20.596 28.79019 30.21116 
1 1 1  -15    9   43 o  174.230   6.9835   82.409   6.5464   83.150   9.7402   81.799   8.8411  174.902   10.306  173.560   9.4269 1.341949 13.96701 
1 1 1  -15    9   44 o  290.103   5.8194  228.443   9.1181  220.016   12.888  236.886   12.901  284.723   8.3770  295.483   8.0801 -10.76068 11.63882 
1 1 1  -15    9   45 o  316.042   5.7701  270.906   9.8469  275.408   14.244  266.785   13.628  318.535   8.2753  313.549   8.0432 4.986633 11.54011 
1 1 1  -15    9   46 f  262.572   5.8887  187.288   8.3486  177.380   11.715  197.511   11.900  255.489   8.4858  269.655   8.1670 -14.16548 11.77746 
1 1 1  -15    9   47 o  356.452   5.9748  345.637   11.506  340.372   16.361  350.788   16.184  353.735   8.5592  359.169   8.3386 -5.433319 11.94960 
1 1 1  -15    9   48 f  233.400   6.1754  147.295   7.7565  159.491   11.632  137.530   10.408  242.008   8.8949  224.793   8.5687 17.21503 12.35076 
1 1 1  -15    9   49 o  416.267   6.3490  472.453   14.278  459.313   20.152  485.695   20.231  410.410   9.0870  422.124   8.8692 -11.71387 12.69792 
1 1 1  -15    9   50 o  238.072   6.0221  154.933   7.7134  150.756   11.363  158.503   10.504  234.971   8.9495  241.173   8.0602 -6.200958 12.04410 
1 1 1  -15    9   51 o  219.802   6.1012  132.968   7.1850  120.860   10.545  143.460   9.8164  210.205   9.2836  229.399   7.9190 -19.19392 12.20233 
1 1 1  -15    9   52 o  100.733   10.823   29.091   5.6788   26.042   8.3939   31.663   7.7114   94.736   17.023  106.730   13.371 -11.99454 21.64601 
1 1 1  -15    9   53 o  166.382   6.9560   75.853   6.1920   78.080   9.5024   74.210   8.1632  168.310   10.448  164.454   9.1860 3.855865 13.91199 
1 1 1  -15    9   54 o   69.329   13.708   14.110   5.3433   17.415   8.0773   11.539   7.1252   76.005   19.554   62.654   19.216 13.35034 27.41592 
1 1 1  -15    9   55 o  153.441   7.4508   65.842   6.1111   57.574   8.8956   73.231   8.4097  143.895   11.440  162.987   9.5485 -19.09216 14.90161 
1 1 1  -15    9   56 o  188.374   6.6938   96.961   6.7745  107.355   10.276   88.972   9.0093  197.137   9.6468  179.611   9.2826 17.52505 13.38757 
1 1 1  -15    9   57 o  141.637   8.3043   56.317   6.3357   54.480   9.2347   57.951   8.7086  139.216   12.276  144.057   11.187 -4.840881 16.60867 
1 1 1  -15    9   58 o  112.958   9.8397   37.383   5.7938   27.400   8.3656   46.585   8.0320   97.120   15.940  128.796   11.541 -31.67609 19.67942 
1 1 1  -15    9   59 o  113.329   10.426   36.681   6.3605   40.565   9.5018   33.528   8.5616  118.690   14.815  107.969   14.675 10.72179 20.85263 
1 1 1  -15    9   60 o  220.363   6.4456  134.200   7.6471  144.170   11.428  126.115   10.291  227.611   9.2914  213.115   8.9359 14.49609 12.89110 
1 1 1  -15    9   61 o   61.988   15.023   11.844   6.0128   13.505   9.2418   10.624   7.9177   64.998   22.057   58.979   20.403 6.018906 30.04649 
1 1 1  -15    9   62 o   85.823   14.550   27.944   7.7256   38.380   9.5416   8.0788   13.164  113.215   15.597   58.431   24.567 54.78384 29.09989 
1 1 1  -15    9   63 o   56.489   23.788   6.5045   12.374   0.0000   0.0000   6.5045   12.374  ?   ?    56.489   23.788      ?      ? 
1 1 1  -15    9   64 o  110.798   14.460   39.547   7.8499   47.523   14.307   36.112   9.3893  113.927   23.998  107.670   16.138 6.257004 28.91956 
1 1 1  -15    9   65 o   59.996   15.180   4.2090   9.2122 -30.1577   14.541   27.252   11.907   35.538   17.800   84.453   24.595 -48.91476 30.36020 
1 1 1  -15    9   66 o   53.150   16.032   5.9104   8.7340  -4.3986   12.259   16.536   12.446   42.756   20.198   63.544   24.901 -20.78732 32.06336 
1 1 1  -15   10    1 o  984.373   11.959  2625.84   63.606  2647.12   90.794  2605.34   89.133  988.273   17.002  980.474   16.823 7.799072 23.91833 
1 1 1  -15   10    2 o  255.734   4.8297  176.820   6.6702  175.842   9.5865  177.738   9.2867  255.046   6.9559  256.422   6.7022 -1.376068 9.659410 
1 1 1  -15   10    3 o  628.776   11.285  1069.67   38.343   0.0000   0.0000  1069.67   38.343  ?   ?   628.776   11.285      ?      ? 
1 1 1  -15   10    5 o  414.159   5.8449  463.797   13.080  459.339   18.516  468.237   18.480  412.171   8.3135  416.148   8.2180 -3.976776 11.68976 
1 1 1  -15   10    6 o  551.988   7.1902  824.123   21.446  818.662   30.306  829.601   30.353  550.155   10.194  553.821   10.143 -3.666260 14.38047 
1 1 1  -15   10    7 o  928.130   16.065  2339.12   80.544  2371.62  115.701  2308.56  112.193  934.340   22.916  921.920   22.521 12.42010 32.13007 
1 1 1  -15   10    8 o  379.993   8.0396  390.164   16.497  372.072   22.899  409.685   23.787  370.844   11.427  389.142   11.312 -18.29831 16.07926 
1 1 1  -15   10    9 o  1174.83   20.101  3759.97  127.606  3740.99  179.669  3779.28  181.265  1171.85   28.373  1177.80   28.481 -5.944946 40.20211 
1 1 1  -15   10   10 o  260.225   6.7302  183.044   9.4638   0.0000   0.0000  183.044   9.4638  ?   ?   260.225   6.7302      ?      ? 
1 1 1  -15   10   11 o  465.009   6.3488  584.593   15.951  573.030   22.407  596.472   22.713  460.347   9.0077  469.671   8.9492 -9.324310 12.69753 
1 1 1  -15   10   12 o  849.789   10.424  1955.06   47.867  1942.44   67.409  1967.90   67.983  847.025   14.728  852.554   14.757 -5.529053 20.84867 
1 1 1  -15   10   13 o  326.770   5.2347  288.728   9.2403  283.617   13.153  293.709   12.984  323.911   7.5147  329.628   7.2895 -5.717255 10.46936 
1 1 1  -15   10   14 o  684.195   8.6003  1266.42   31.796  1263.16   45.041  1269.66   44.893  683.315   12.198  685.075   12.127 -1.760681 17.20067 
1 1 1  -15   10   15 o  977.768   11.877  2588.99   62.751  2577.90   88.500  2600.20   88.989  975.664   16.786  979.872   16.806 -4.207947 23.75371 
1 1 1  -15   10   16 o  590.065   7.6164  941.049   24.272  956.465   35.021  926.800   33.669  594.706   10.898  585.424   10.643 9.282471 15.23286 
1 1 1  -15   10   17 f  586.741   7.5774  929.567   24.002  899.568   33.080  962.918   34.880  576.764   10.614  596.718   10.817 -19.95313 15.15488 
1 1 1  -15   10   18 o  364.208   5.5304  358.651   10.881  350.352   15.423  366.875   15.354  360.010   7.9282  368.406   7.7127 -8.396637 11.06087 
1 1 1  -15   10   19 o  452.427   8.8054  553.399   21.527   0.0000   0.0000  553.399   21.527  ?   ?   452.427   8.8054      ?      ? 
1 1 1  -15   10   20 o  575.820   7.4821  896.023   23.262  913.018   33.700  880.555   32.150  581.023   10.734  570.616   10.427 10.40686 14.96427 
1 1 1  -15   10   21 o  456.924   6.3311  564.305   15.629  549.673   21.901  579.490   22.310  450.889   8.9889  462.959   8.9181 -12.07034 12.66223 
1 1 1  -15   10   22 o  440.309   6.2054  523.629   14.757  503.734   20.505  545.002   21.253  431.642   8.7914  448.975   8.7602 -17.33371 12.41089 
1 1 1  -15   10   23 o  319.645   5.3989  276.220   9.3044  275.870   13.618  276.527   12.743  319.449   7.8889  319.840   7.3729 -0.3916626 10.79788 
1 1 1  -15   10   24 o  873.443   10.725  2064.66   50.592  2099.66   72.938  2032.20   70.235  880.553   15.329  866.333   15.003 14.21954 21.44918 
1 1 1  -15   10   25 o  442.928   8.8058  530.492   21.076   0.0000   0.0000  530.492   21.076  ?   ?   442.928   8.8058      ?      ? 
1 1 1  -15   10   26 o  557.271   7.3938  840.047   22.264  829.984   31.314  850.334   31.661  553.896   10.462  560.646   10.451 -6.749939 14.78757 
1 1 1  -15   10   27 o  940.868   11.517  2399.46   58.555  2403.07   83.096  2395.90   82.526  941.562   16.332  940.174   16.244 1.388611 23.03493 
1 1 1  -15   10   28 o  218.294   8.7983  128.867   10.378   0.0000   0.0000  128.867   10.378  ?   ?   218.294   8.7983      ?      ? 
1 1 1  -15   10   29 o  637.898   8.2556  1101.11   28.455  1084.36   39.945  1118.36   40.544  632.974   11.678  642.821   11.672 -9.846436 16.51125 
1 1 1  -15   10   30 f  725.611   9.1914  1425.56   36.035  1405.64   50.529  1446.18   51.406  720.455   12.979  730.767   13.018 -10.31256 18.38283 
1 1 1  -15   10   31 o  997.757   12.203  2699.22   65.768  2648.42   91.492  2753.53   94.607  988.078   17.136  1007.44   17.379 -19.35791 24.40604 
1 1 1  -15   10   32 o  839.806   10.439  1910.01   47.339  1862.19   65.473  1962.38   68.526  828.833   14.619  850.780   14.906 -21.94781 20.87780 
1 1 1  -15   10   33 o  572.924   7.6603  888.712   23.715  878.271   33.458  899.252   33.617  569.539   10.872  576.310   10.795 -6.771240 15.32059 
1 1 1  -15   10   34 o  211.667   6.5084  121.326   7.4307  112.335   10.462  130.479   10.556  203.737   9.5031  219.597   8.8954 -15.85994 13.01680 
1 1 1  -15   10   35 o  562.237   7.5625  856.116   22.974  840.467   32.305  872.129   32.678  557.034   10.733  567.439   10.657 -10.40552 15.12508 
1 1 1  -15   10   36 o  500.775   6.9975  678.908   18.930  660.960   26.419  697.844   27.137  493.977   9.8976  507.573   9.8942 -13.59607 13.99493 
1 1 1  -15   10   37 o  419.996   7.7913  486.972   16.947  445.721   27.655  511.776   21.445  405.272   12.628  434.721   9.1290 -29.44971 15.58252 
1 1 1  -15   10   38 o  313.025   8.2420  265.891   13.938  259.685   19.732  272.072   19.691  309.362   11.804  316.688   11.506 -7.326111 16.48405 
1 1 1  -15   10   40 o  439.397   9.3189  525.529   22.121  520.946   31.559  529.955   31.015  437.472   13.350  441.322   13.006 -3.849884 18.63778 
1 1 1  -15   10   41 o  132.978   14.360   53.733   9.1889   28.311   13.453   75.968   12.581   99.032   25.105  166.923   13.948 -67.89133 28.71959 
1 1 1  -15   10   42 o  155.489   7.6050   65.716   6.3683   65.973   9.4076   65.499   8.6520  155.730   11.179  155.248   10.313 0.4817505 15.21008 
1 1 1  -15   10   43 o  551.336   7.4659  827.073   22.241  815.065   31.339  839.260   31.571  547.290   10.597  555.382   10.520 -8.092285 14.93180 
1 1 1  -15   10   44 o  251.094   5.9137  171.198   8.0200  168.240   11.455  174.042   11.232  248.945   8.5157  253.244   8.2079 -4.298859 11.82732 
1 1 1  -15   10   45 o  219.497   6.1829  131.384   7.3044  119.272   10.409  143.134   10.253  209.429   9.1980  229.566   8.2649 -20.13748 12.36575 
1 1 1  -15   10   46 o  127.301   8.7735   44.697   5.9804   41.626   8.8863   47.239   8.0854  123.138   13.355  131.463   11.382 -8.324409 17.54693 
1 1 1  -15   10   47 o  169.665   7.2127   78.668   6.5892   77.268   9.6875   79.873   8.9886  168.180   10.660  171.151   9.7191 -2.970276 14.42541 
1 1 1  -15   10   48 o   72.919   13.775   15.632   5.5544   13.332   8.3731   17.440   7.4226   68.319   20.808   77.519   18.056 -9.199974 27.54989 
1 1 1  -15   10   49 o  266.635   5.9193  194.327   8.4996  177.190   12.078  211.137   11.963  254.843   8.7711  278.426   7.9513 -23.58342 11.83868 
1 1 1  -15   10   50 o  328.562   5.9278  294.614   10.519  291.816   15.078  297.267   14.682  326.984   8.5333  330.141   8.2302 -3.156189 11.85551 
1 1 1  -15   10   51 o   62.835   13.553   10.299   5.4040   17.760   8.0631   4.2154   7.2813   77.429   19.331   48.242   19.002 29.18718 27.10635 
1 1 1  -15   10   52 o   82.882   12.614   20.033   5.4505   22.534   8.2926   18.131   7.2322   87.369   18.158   78.395   17.514 8.973373 25.22773 
1 1 1  -15   10   53 o  215.365   6.1603  126.154   7.0924  133.724   10.983  120.739   9.2889  220.681   9.2100  210.048   8.1839 10.63322 12.32069 
1 1 1  -15   10   54 o  148.400   7.9148   61.478   6.2814   58.370   9.4392   63.948   8.4153  144.691   12.073  152.109   10.238 -7.417450 15.82952 
1 1 1  -15   10   55 o  207.724   6.5386  119.842   7.2730  108.750   10.688  129.408   9.9252  198.373   9.9709  217.075   8.4614 -18.70175 13.07722 
1 1 1  -15   10   56 o   91.458   12.454   25.192   5.9609   20.996   8.7720   28.793   8.1252   82.554   19.898  100.362   14.982 -17.80769 24.90745 
1 1 1  -15   10   57 o  145.001   8.0173   58.664   6.2661   61.925   9.2698   55.920   8.5031  148.604   11.544  141.397   11.129 7.206558 16.03468 
1 1 1  -15   10   58 o  153.613   7.9549   66.320   6.5737   64.148   9.6611   68.192   8.9705  150.963   11.843  156.262   10.624 -5.298828 15.90977 
1 1 1  -15   10   59 o  125.458   9.6188   45.293   6.4496   43.573   9.7401   46.635   8.6068  122.735   14.686  128.180   12.426 -5.445457 19.23764 
1 1 1  -15   10   60 o  132.382   9.1417   50.172   6.5352   48.570   9.2863   51.744   9.1988  130.126   13.207  134.637   12.644 -4.511139 18.28331 
1 1 1  -15   10   61 o   96.249   13.097   30.703   6.5564   17.436   9.4889   42.823   9.0696   71.628   22.210  120.869   13.886 -49.24123 26.19405 
1 1 1  -15   10   62 o   94.621   16.539   29.798   8.0657   27.960   9.8809   33.468   13.963   92.820   20.268   96.422   26.142 -3.601486 33.07864 
1 1 1  -15   10   63 o  103.848   15.415   39.107   7.8666   27.545   14.261   44.163   9.4311   85.290   27.334  122.406   14.258 -37.11606 30.82961 
1 1 1  -15   10   64 o  100.649   17.828   43.123   10.366   30.946   16.739   50.698   13.202   79.892   29.434  121.406   20.124 -41.51392 35.65592 
1 1 1  -15   10   65 f  164.357   12.328   84.804   10.834  102.860   16.653   71.554   14.266  179.633   17.156  149.081   17.708 30.55159 24.65590 
1 1 1  -15   11    1 o  235.763   5.0105  150.308   6.3756  149.108   9.2249  151.406   8.8216  234.858   7.2689  236.668   6.8980 -1.809570 10.02093 
1 1 1  -15   11    2 f  372.956   5.5962  376.019   11.277  368.388   15.875  383.791   16.022  369.135   7.9586  376.776   7.8696 -7.640900 11.19235 
1 1 1  -15   11    3 o  384.870   5.6836  400.464   11.818  400.647   16.880  400.289   16.551  384.953   8.1149  384.786   7.9599 0.1675110 11.36714 
1 1 1  -15   11    5 o  741.244   18.677  1489.64   74.809  1489.64   74.809   0.0000   0.0000  741.244   18.677  ?   ?       ?      ? 
1 1 1  -15   11    6 o  950.467   16.443  2453.29   84.443  2425.68  118.295  2481.98  120.579  945.034   23.165  955.901   23.344 -10.86664 32.88683 
1 1 1  -15   11    7 o  207.303   7.5544  117.231   8.3823  100.586   12.014  133.018   11.701  192.824   11.531  221.782   9.7632 -28.95839 15.10880 
1 1 1  -15   11    8 o  408.577   7.2614  445.930   15.034  435.892   18.220  467.342   26.611  401.528   8.3974  415.625   11.849 -14.09662 14.52277 
1 1 1  -15   11   10 o  490.954   6.6548  651.398   17.644  661.357   25.471  642.210   24.465  494.555   9.5310  487.353   9.2901 7.201996 13.30965 
1 1 1  -15   11   11 o  705.578   8.8629  1346.75   33.787  1354.62   48.251  1339.17   47.326  707.596   12.619  703.561   12.448 4.034790 17.72573 
1 1 1  -15   11   12 o  849.656   10.450  1953.69   47.973  1933.28   67.281  1974.81   68.421  845.147   14.732  854.165   14.824 -9.018433 20.89953 
1 1 1  -15   11   13 f  449.143   6.2822  545.041   15.236  553.665   22.046  537.155   21.079  452.538   9.0153  445.748   8.7515 6.789886 12.56437 
1 1 1  -15   11   14 o  894.063   10.946  2162.85   52.863  2194.36   75.988  2133.29   73.590  900.357   15.619  887.770   15.340 12.58679 21.89204 
1 1 1  -15   11   15 o  479.720   6.5737  622.221   17.040  614.560   24.101  629.878   24.095  476.765   9.3549  482.674   9.2380 -5.909393 13.14745 
1 1 1  -15   11   16 o  834.830   14.513  1886.25   65.470   0.0000   0.0000  1886.25   65.470  ?   ?   834.830   14.513      ?      ? 
1 1 1  -15   11   17 o  336.805   5.4324  306.639   9.8786  306.715   14.267  306.569   13.692  336.841   7.8383  336.768   7.5237 0.7312012E-01 10.86489 
1 1 1  -15   11   18 o  347.007   5.4636  325.449   10.238  326.995   14.775  324.021   14.198  347.796   7.8618  346.217   7.5893 1.578827 10.92724 
1 1 1  -15   11   19 o  305.385   5.2616  251.583   8.6626  259.270   12.766  245.021   11.794  309.697   7.6281  301.073   7.2491 8.623474 10.52318 
1 1 1  -15   11   20 o  362.125   5.6332  353.964   11.005  363.511   16.109  345.608   15.070  366.693   8.1297  357.558   7.8000 9.135437 11.26636 
1 1 1  -15   11   21 o  478.325   9.2187  618.635   23.827   0.0000   0.0000  618.635   23.827  ?   ?   478.325   9.2187      ?      ? 
1 1 1  -15   11   22 o  762.427   9.5229  1572.96   39.230  1552.62   55.017  1593.99   55.952  757.417   13.442  767.436   13.492 -10.01813 19.04582 
1 1 1  -15   11   23 o  346.005   5.6899  323.801   10.631  319.900   15.270  327.470   14.810  343.977   8.2151  348.033   7.8748 -4.055878 11.37987 
1 1 1  -15   11   24 o  572.288   7.5691  886.065   23.406  880.688   33.208  891.372   32.995  570.558   10.771  574.018   10.637 -3.459473 15.13825 
1 1 1  -15   11   25 o  980.422   11.961  2604.38   63.341  2554.01   87.959  2658.64   91.288  970.610   16.771  990.234   17.060 -19.62360 23.92294 
1 1 1  -15   11   26 o  368.878   8.3648  367.949   16.673   0.0000   0.0000  367.949   16.673  ?   ?   368.878   8.3648      ?      ? 
1 1 1  -15   11   27 o  756.412   9.5241  1547.03   38.894  1499.29   53.630  1600.01   56.489  744.134   13.337  768.690   13.600 -24.55597 19.04814 
1 1 1  -15   11   28 o  652.045   8.4360  1150.90   29.722  1147.53   42.253  1154.19   41.816  651.094   12.010  652.995   11.851 -1.901184 16.87207 
1 1 1  -15   11   29 o  612.958   8.0607  1015.75   26.682  982.599   36.948  1051.88   38.572  602.524   11.348  623.392   11.450 -20.86810 16.12136 
1 1 1  -15   11   30 o  656.067   8.5230  1165.13   30.208  1171.74   43.264  1158.83   42.197  657.871   12.170  654.263   11.935 3.608215 17.04598 
1 1 1  -15   11   31 o  188.331   7.3338   95.827   7.4495   98.637   10.934   93.392   10.177  190.896   10.600  185.766   10.139 5.130356 14.66769 
1 1 1  -15   11   32 o  190.831   7.2786   97.447   7.4606  109.784   11.322   87.980   9.9182  201.379   10.405  180.283   10.181 21.09630 14.55730 
1 1 1  -15   11   33 o  413.144   6.4778  461.472   14.454  441.037   20.129  483.221   20.767  403.706   9.2273  422.582   9.0942 -18.87576 12.95565 
1 1 1  -15   11   34 o  713.482   9.1047  1379.28   35.083  1343.98   48.638  1417.55   50.653  703.995   12.785  722.969   12.966 -18.97382 18.20937 
1 1 1  -15   11   35 o  448.064   6.6123  543.403   16.006  529.124   22.365  558.395   22.916  442.032   9.3632  454.096   9.3392 -12.06461 13.22462 
1 1 1  -15   11   36 o  184.013   8.7111   82.570   8.0574  118.761   15.208   68.446   9.5003  209.132   13.458  158.895   11.065 50.23685 17.42224 
1 1 1  -15   11   37 o  104.156   15.860   30.233   8.9810   44.234   13.154   18.009   12.292  127.238   19.132   81.074   25.301 46.16379 31.72079 
1 1 1  -15   11   39 o   66.360   15.910   7.5154   8.3959  -9.8739   12.650   21.205   11.224   46.527   21.489   86.193   23.467 -39.66657 31.81975 
1 1 1  -15   11   40 o  134.097   12.214   47.824   8.6772   63.626   13.504   36.712   11.324  152.508   16.387  115.687   18.115 36.82143 24.42699 
1 1 1  -15   11   41 o  386.994   6.2275  406.355   12.999  405.878   18.960  406.779   17.855  386.730   9.0730  387.258   8.5326 -0.5278625 12.45495 
1 1 1  -15   11   42 o  313.795   6.0127  267.271   10.187  266.963   14.700  267.556   14.130  313.592   8.6749  313.998   8.3280 -0.4062195 12.02533 
1 1 1  -15   11   43 o  224.526   6.2110  136.805   7.5263  138.475   10.947  135.308   10.364  225.800   8.9721  223.251   8.5913 2.549149 12.42209 
1 1 1  -15   11   44 o  188.178   6.8234   96.244   6.8769   97.064   10.463   95.620   9.1249  188.799   10.255  187.557   9.0034 1.241776 13.64683 
1 1 1  -15   11   45 o  313.013   5.8714  266.320   9.9231  252.371   13.939  280.653   14.130  304.665   8.4669  321.360   8.1367 -16.69519 11.74285 
1 1 1  -15   11   46 o   82.652   18.974   19.814   8.2949   19.814   8.2949   0.0000   0.0000   82.652   18.974  ?   ?       ?      ? 
1 1 1  -15   11   47 o  199.413   6.5397  108.208   7.0328  111.323   10.334  105.521   9.5987  202.040   9.4651  196.787   9.0267 5.252380 13.07934 
1 1 1  -15   11   48 o   85.095   12.550   20.951   5.5062   21.250   8.6297   20.745   7.1509   85.212   19.202   84.978   16.163 0.2337952 25.09910 
1 1 1  -15   11   49 o   52.269   13.770   5.2062   5.2858   10.106   8.2892   1.8482   6.8619   61.155   20.888   43.382   17.949 17.77316 27.54048 
1 1 1  -15   11   50 o  209.176   6.3962  120.263   7.1896  111.692   10.481  127.881   9.8810  201.940   9.6046  216.411   8.4495 -14.47145 12.79230 
1 1 1  -15   11   51 o  112.930   9.6908   36.881   5.6750   28.891   8.6763   42.854   7.5024  101.242   15.859  124.619   11.141 -23.37667 19.38156 
1 1 1  -15   11   52 o  197.150   6.5086  106.031   6.8792  111.739   10.512  101.756   9.0976  201.609   9.6493  192.691   8.7373 8.917862 13.01728 
1 1 1  -15   11   53 o   58.773   14.314   9.6304   5.5581   7.6158   8.3742   11.217   7.4307   55.613   20.755   61.934   19.718 -6.320572 28.62805 
1 1 1  -15   11   54 o  172.753   6.9104   82.511   6.4315   80.142   9.3825   84.611   8.8333  170.247   10.199  175.258   9.3273 -5.010620 13.82081 
1 1 1  -15   11   55 o   44.061   13.204   1.3497   5.4578   2.7747   7.9146   0.0576   7.5364   46.425   19.248   41.697   18.081 4.727303 26.40812 
1 1 1  -15   11   56 o   89.565   12.003   23.899   5.6333   22.296   8.4362   25.189   7.5677   85.409   18.789   93.722   14.943 -8.312584 24.00696 
1 1 1  -15   11   57 o  130.350   8.8849   47.846   6.1954   49.677   9.5226   46.501   8.1581  132.131   13.337  128.570   11.743 3.561310 17.76979 
1 1 1  -15   11   58 o  127.695   9.7014   47.358   6.5549   41.248   9.8704   52.179   8.7674  119.353   15.304  136.038   11.927 -16.68555 19.40285 
1 1 1  -15   11   59 o  142.301   8.7888   57.807   6.6625   56.816   10.250   58.532   8.7670  140.589   13.493  144.013   11.266 -3.423431 17.57754 
1 1 1  -15   11   60 o   36.180   11.940 -11.8367   6.2526   1.7880   8.9707 -24.7092   8.7196   45.872   19.809   26.488   13.337 19.38438 23.88011 
1 1 1  -15   11   61 o   47.237   14.828   0.6851   7.4857   2.3436   9.5274  -1.9905   12.101   47.208   20.400   47.266   21.525 -0.5752945E-01 29.65597 
1 1 1  -15   11   62 o   70.673   17.274   16.457   7.6501   18.590   13.661   15.482   9.2338   72.968   26.635   68.378   22.003 4.590073 34.54796 
1 1 1  -15   11   63 o   56.036   23.831   9.1081   12.620   0.0000   0.0000   9.1081   12.620  ?   ?    56.036   23.831      ?      ? 
1 1 1  -15   11   64 o   96.788   18.626   36.091   9.9140   42.568   15.380   31.486   12.968  103.426   27.168   90.149   25.486 13.27734 37.25106 
1 1 1  -15   11   65 o  158.958   10.925   79.232   9.1033   76.422   11.523   83.896   14.847  158.042   13.493  159.874   17.186 -1.832291 21.85036 
1 1 1  -15   12    2 o  600.899   7.7732  976.589   25.239  977.192   35.824  975.994   35.565  601.081   11.030  600.717   10.956 0.3645020 15.54646 
1 1 1  -15   12    3 o  596.594   9.6815  938.225   28.299  1022.30   53.696  905.895   33.298  614.429   16.173  578.760   10.647 35.66907 19.36295 
1 1 1  -15   12    4 o  574.913   10.751  894.420   33.381  905.631   48.105  884.009   46.358  578.372   15.392  571.454   15.013 6.917786 21.50104 
1 1 1  -15   12    5 o  350.596   8.1278  331.914   15.376  342.342   22.481  322.748   21.076  355.755   11.694  345.437   11.291 10.31769 16.25565 
1 1 1  -15   12    6 f  130.915   8.2363   45.345   5.6249   42.709   6.9977   50.158   9.4556  125.672   10.304  136.158   12.852 -10.48569 16.47263 
1 1 1  -15   12    7 o  894.242   10.987  2164.83   53.092  2158.44   75.072  2171.23   75.096  892.918   15.559  895.566   15.518 -2.647705 21.97460 
1 1 1  -15   12    8 o  534.545   7.1220  772.579   20.567  775.553   29.421  769.736   28.763  535.547   10.167  533.543   9.9766 2.003967 14.24398 
1 1 1  -15   12    9 o  712.849   8.9625  1374.18   34.516  1351.25   48.208  1398.30   49.442  706.753   12.623  718.945   12.727 -12.19153 17.92499 
1 1 1  -15   12   10 o  537.363   7.1723  780.679   20.825  767.807   29.253  793.904   29.652  532.872   10.159  541.854   10.127 -8.981567 14.34456 
1 1 1  -15   12   12 o  1130.58   13.654  3463.61   83.416  3473.64  118.499  3453.77  117.443  1132.19   19.369  1128.97   19.251 3.221680 27.30883 
1 1 1  -15   12   13 o  772.208   9.6129  1613.16   40.106  1591.52   56.123  1635.74   57.334  766.922   13.543  777.493   13.647 -10.57123 19.22588 
1 1 1  -15   12   14 o  1214.66   14.625  4000.61   95.988  3979.58  135.178  4022.00  136.322  1211.45   20.650  1217.88   20.715 -6.425049 29.24899 
1 1 1  -15   12   15 o  896.525   11.009  2172.92   53.276  2108.38   73.331  2245.06   77.532  882.471   15.378  910.579   15.757 -28.10864 22.01742 
1 1 1  -15   12   17 o  204.218   5.5196  112.626   6.0766  114.340   8.9355  111.152   8.2882  205.658   8.0405  202.778   7.5640 2.880905 11.03919 
1 1 1  -15   12   19 o  708.981   8.9434  1359.66   34.258  1337.84   47.942  1382.43   48.970  703.172   12.617  714.789   12.678 -11.61694 17.88672 
1 1 1  -15   12   20 o  507.758   6.9098  697.273   18.956  692.415   26.963  702.020   26.656  506.005   9.8611  509.511   9.6819 -3.505981 13.81957 
1 1 1  -15   12   21 o  350.330   5.7771  331.888   10.934  327.495   15.554  336.181   15.374  348.035   8.2704  352.626   8.0684 -4.591034 11.55415 
1 1 1  -15   12   22 o  888.119   10.939  2136.68   52.496  2125.31   74.037  2148.17   74.445  885.744   15.469  890.495   15.471 -4.750671 21.87754 
1 1 1  -15   12   23 o  588.705   7.7583  937.738   24.680  931.067   34.886  944.423   34.920  586.606   11.006  590.804   10.938 -4.197937 15.51666 
1 1 1  -15   12   24 o  322.767   5.8575  281.888   10.207  276.597   14.661  286.866   14.220  319.819   8.4833  325.716   8.0793 -5.896088 11.71499 
1 1 1  -15   12   25 f  527.392   7.2251  752.277   20.588  738.219   28.898  766.768   29.340  522.388   10.237  532.396   10.199 -10.00763 14.45029 
1 1 1  -15   12   26 o  400.986   6.3116  434.723   13.671  418.621   19.164  451.407   19.508  393.424   9.0146  408.548   8.8364 -15.12372 12.62319 
1 1 1  -15   12   27 o  926.400   11.408  2326.03   57.091  2287.69   79.622  2366.61   81.903  918.564   16.041  934.236   16.224 -15.67230 22.81526 
1 1 1  -15   12   28 o  333.722   6.1549  301.054   11.064  303.222   16.336  299.216   15.038  334.819   9.0292  332.626   8.3668 2.192993 12.30972 
1 1 1  -15   12   29 o  1046.96   12.779  2975.27   72.289  2994.04  103.134  2957.14  101.353  1050.18   18.174  1043.74   17.970 6.435791 25.55833 
1 1 1  -15   12   30 o  431.919   6.6140  504.896   15.433  499.780   22.011  509.842   21.643  429.758   9.4784  434.080   9.2272 -4.321838 13.22804 
1 1 1  -15   12   31 o  202.147   7.2244  111.504   7.7944  104.189   11.762  117.231   10.408  196.154   11.097  208.140   9.2538 -11.98550 14.44882 
1 1 1  -15   12   32 o  230.773   6.5784  145.059   8.1419  126.270   11.623  163.164   11.409  215.976   9.9588  245.569   8.5979 -29.59340 13.15679 
1 1 1  -15   12   33 o  251.650   6.4440  171.951   8.7361  161.493   12.585  181.677   12.136  244.219   9.5367  259.080   8.6690 -14.86145 12.88798 
1 1 1  -15   12   34 o  570.677   7.6837  882.678   23.694  875.674   33.534  889.660   33.483  568.408   10.918  572.946   10.815 -4.538147 15.36740 
1 1 1  -15   12   35 o   53.162   15.612   2.0470   7.3410  -7.8581   13.734   6.0088   8.6859   50.836   23.066   55.488   21.045 -4.652275 31.22365 
1 1 1  -15   12   36 o  310.086   12.365  261.036   20.719  261.036   20.719   0.0000   0.0000  310.086   12.365  ?   ?       ?      ? 
1 1 1  -15   12   38 o  350.185   8.8473  333.719   16.730  325.225   23.892  341.892   23.435  345.759   12.788  354.611   12.230 -8.852203 17.69462 
1 1 1  -15   12   39 o  332.763   8.7674  301.443   15.758  296.171   22.486  306.531   22.090  329.861   12.615  335.665   12.179 -5.804260 17.53483 
1 1 1  -15   12   40 o   36.177   11.964  -8.7450   5.9356 -13.4899   8.7299  -4.6660   8.0944   33.403   16.118   38.950   17.686 -5.546955 23.92870 
1 1 1  -15   12   41 o  447.941   6.6187  545.080   16.018  529.871   22.534  560.612   22.772  441.604   9.4433  454.279   9.2766 -12.67432 13.23749 
1 1 1  -15   12   42 o  329.736   6.0000  295.236   10.671  293.319   15.542  296.946   14.677  328.674   8.7511  330.797   8.2110 -2.123291 12.00010 
1 1 1  -15   12   43 o   36.756   11.967  -8.5465   5.5751  -0.6405   8.6266 -14.2167   7.3057   44.967   19.422   28.544   13.988 16.42353 23.93453 
1 1 1  -15   12   44 o  300.349   5.9687  244.843   9.6517  249.823   14.336  240.714   13.053  303.068   8.7541  297.631   8.1160 5.437500 11.93748 
1 1 1  -15   12   45 o  234.461   6.2121  150.060   7.8326  144.543   11.532  154.785   10.672  230.352   9.2643  238.570   8.2783 -8.217484 12.42412 
1 1 1  -15   12   46 o  112.901   9.8732   35.403   5.9067   33.641   9.1715   36.652   7.7212  110.241   15.396  115.562   12.365 -5.320549 19.74647 
1 1 1  -15   12   47 o  258.803   6.0114  183.027   8.3672  176.817   12.324  188.336   11.396  254.598   8.9581  263.009   8.0187 -8.411560 12.02280 
1 1 1  -15   12   48 o   99.897   10.805   27.864   5.7788   27.461   8.7440   28.176   7.7002   99.034   16.339  100.759   14.143 -1.725601 21.60998 
1 1 1  -15   12   49 o  269.306   6.0452  198.571   8.7733  186.669   12.606  209.753   12.218  261.330   8.9266  277.282   8.1544 -15.95264 12.09043 
1 1 1  -15   12   50 o  150.337   8.2545   64.174   6.5083   52.126   9.8144   73.631   8.6952  136.904   13.267  163.769   9.8256 -26.86513 16.50900 
1 1 1  -15   12   51 o  401.210   6.3933  441.596   13.844  439.881   20.051  443.158   19.138  400.312   9.2695  402.108   8.8076 -1.795654 12.78662 
1 1 1  -15   12   52 o  170.361   7.3245   80.717   6.6429   76.404   10.146   83.953   8.7883  165.995   11.312  174.727   9.3080 -8.731232 14.64894 
1 1 1  -15   12   53 o  260.850   6.1464  187.784   8.6208  174.745   12.528  199.514   11.882  251.948   9.2017  269.751   8.1512 -17.80338 12.29279 
1 1 1  -15   12   54 o  167.065   7.7370   77.159   6.9646   85.044   10.288   70.489   9.4622  174.923   10.885  159.206   10.999 15.71718 15.47407 
1 1 1  -15   12   55 o   55.313   14.080   7.3375   5.9053   0.2313   8.7478   13.287   8.0043   44.659   19.423   65.968   20.390 -21.30907 28.15985 
1 1 1  -15   12   56 o  197.053   6.8706  107.415   7.2498  110.937   11.090  104.786   9.5804  199.542   10.285  194.565   9.1124 4.976990 13.74115 
1 1 1  -15   12   57 f  152.838   8.2560   66.167   6.7185   62.363   10.229   69.053   8.9101  148.366   12.758  157.309   10.482 -8.943115 16.51191 
1 1 1  -15   12   58 o   60.790   14.382   9.1213   6.1127   19.426   9.4154   1.6137   8.0366   77.340   21.665   44.240   18.921 33.09949 28.76375 
1 1 1  -15   12   59 o   41.092   13.015  -4.7291   6.1990   4.3370   9.4497 -11.5776   8.2131   50.341   20.965   31.844   15.430 18.49748 26.03059 
1 1 1  -15   12   60 o  105.613   14.944   36.753   8.0342   37.279   10.074   35.833   13.318  110.606   16.855  100.619   24.681 9.987106 29.88715 
1 1 1  -15   12   61 o  145.545   9.5217   58.958   7.2357   85.108   11.430   41.471   9.3470  172.244   12.280  118.845   14.555 53.39930 19.04335 
1 1 1  -15   12   62 o   64.016   22.277   13.997   9.4452   0.0000   0.0000   13.997   9.4452  ?   ?    64.016   22.277      ?      ? 
1 1 1  -15   12   63 o  111.899   17.188   45.269   9.9990   59.550   15.910   35.946   12.855  126.833   24.095   96.964   24.519 29.86861 34.37663 
1 1 1  -15   12   64 o   56.591   16.653   10.303   8.3202   9.6048   10.817   11.315   13.021   55.075   22.635   58.107   24.432 -3.032536 33.30547 
1 1 1  -15   13    1 o  314.895   8.2668  267.852   14.052  275.450   20.436  261.036   19.354  319.121   11.851  310.668   11.529 8.452942 16.53351 
1 1 1  -15   13    2 o  442.916   9.2797  527.635   22.109  562.162   33.234  500.225   29.611  455.821   13.493  430.011   12.743 25.81015 18.55945 
1 1 1  -15   13    3 o  619.383   11.492  1036.03   38.373  1075.00   56.626  1002.93   52.182  630.098   16.631  608.669   15.865 21.42969 22.98485 
1 1 1  -15   13    4 o  546.822   8.9586  814.021   25.213  826.080   31.338  791.892   42.453  552.708   10.493  540.937   14.523 11.77051 17.91727 
1 1 1  -15   13    7 o  417.287   6.1372  470.641   13.837  459.865   19.415  481.763   19.724  412.433   8.7117  422.141   8.6467 -9.707703 12.27439 
1 1 1  -15   13    8 o  444.296   6.3384  533.525   15.211  539.117   21.875  528.290   21.165  446.546   9.0657  442.046   8.8607 4.500214 12.67670 
1 1 1  -15   13    9 o  565.984   7.4647  866.261   22.827  869.142   32.555  863.475   32.017  566.906   10.627  565.062   10.486 1.844116 14.92935 
1 1 1  -15   13   10 f  724.321   12.859  1419.49   50.328   0.0000   0.0000  1419.49   50.328  ?   ?   724.321   12.859      ?      ? 
1 1 1  -15   13   11 o  109.525   8.1804   32.958   4.7656   27.711   6.9729   37.557   6.5283  101.202   12.751  117.848   10.252 -16.64542 16.36077 
1 1 1  -15   13   13 o  782.283   9.7529  1656.20   41.227  1652.81   58.366  1659.56   58.242  781.483   13.821  783.083   13.764 -1.600220 19.50572 
1 1 1  -15   13   14 o  373.818   8.2220  377.778   16.608   0.0000   0.0000  377.778   16.608  ?   ?   373.818   8.2220      ?      ? 
1 1 1  -15   13   15 o  599.342   7.8313  970.491   25.346  942.141   35.075  1001.47   36.667  590.196   10.998  608.487   11.152 -18.29095 15.66264 
1 1 1  -15   13   16 o  947.827   11.609  2430.87   59.418  2374.28   82.237  2492.68   85.944  936.318   16.254  959.336   16.579 -23.01727 23.21745 
1 1 1  -15   13   17 o  940.670   11.533  2395.32   58.600  2351.81   81.515  2441.85   84.302  931.853   16.188  949.488   16.431 -17.63507 23.06593 
1 1 1  -15   13   19 o  831.744   10.328  1870.02   46.364  1809.85   63.699  1937.80   67.613  817.565   14.419  845.924   14.792 -28.35901 20.65644 
1 1 1  -15   13   20 o  659.721   8.4825  1177.74   30.238  1166.60   42.525  1189.13   43.005  656.567   11.986  662.875   12.006 -6.308533 16.96502 
1 1 1  -15   13   21 o  507.819   7.0328  697.622   19.297  690.792   27.344  704.399   27.238  505.339   10.014  510.300   9.8778 -4.961243 14.06567 
1 1 1  -15   13   22 o  518.283   7.1513  726.486   20.026  712.423   28.082  741.037   28.565  513.180   10.127  523.386   10.100 -10.20636 14.30269 
1 1 1  -15   13   23 o  170.767   7.4342   79.460   6.8093   72.332   9.9507   85.737   9.3380  163.497   11.263  178.038   9.7063 -14.54097 14.86840 
1 1 1  -15   13   24 o  709.586   9.0604  1362.97   34.734  1372.65   49.677  1353.71   48.584  712.040   12.911  707.132   12.715 4.908508 18.12072 
1 1 1  -15   13   25 o  386.753   8.8514  404.559   18.498   0.0000   0.0000  404.559   18.498  ?   ?   386.753   8.8514      ?      ? 
1 1 1  -15   13   26 o  481.776   6.9687  627.607   18.136  607.711   25.332  648.530   25.978  473.945   9.8914  489.608   9.8189 -15.66327 13.93739 
1 1 1  -15   13   27 o  359.219   6.3362  348.859   12.292  332.870   17.193  365.576   17.581  350.799   9.0702  367.639   8.8498 -16.84012 12.67230 
1 1 1  -15   13   28 o  196.078   7.3375  104.811   7.7179   94.526   11.221  114.045   10.632  186.858   11.113  205.298   9.5841 -18.44000 14.67501 
1 1 1  -15   13   29 o  444.616   6.7631  534.397   16.211  543.370   23.836  526.676   22.112  448.062   9.8449  441.169   9.2755 6.892944 13.52616 
1 1 1  -15   13   30 f  396.897   6.4689  425.568   13.830  434.647   20.481  417.957   18.750  400.761   9.4574  393.032   8.8285 7.728729 12.93771 
1 1 1  -15   13   31 o  605.915   8.0720  994.536   26.427  977.049   37.175  1012.40   37.575  600.525   11.456  611.304   11.375 -10.77948 16.14403 
1 1 1  -15   13   32 o  500.036   7.0969  677.221   19.162  678.623   27.636  675.922   26.594  500.511   10.218  499.560   9.8515 0.9505310 14.19373 
1 1 1  -15   13   33 o  377.072   6.3117  383.997   12.819  396.695   19.026  373.439   17.348  382.742   9.1994  371.403   8.6441 11.33890 12.62336 
1 1 1  -15   13   34 f  285.865   8.5807  222.269   13.215  213.221   19.205  230.405   18.212  280.271   12.681  291.460   11.563 -11.18921 17.16142 
1 1 1  -15   13   35 o  309.458   12.824  260.135   21.445  260.135   21.445   0.0000   0.0000  309.458   12.824  ?   ?       ?      ? 
1 1 1  -15   13   36 o  358.271   13.129  349.099   25.418  349.099   25.418   0.0000   0.0000  358.271   13.129  ?   ?       ?      ? 
1 1 1  -15   13   37 o  403.887   9.1718  444.061   20.009  429.955   28.327  458.108   28.267  397.434   13.190  410.340   12.748 -12.90588 18.34363 
1 1 1  -15   13   38 f  596.565   9.8221  975.876   29.824  953.829   51.396  987.069   36.620  590.519   16.107  602.612   11.246 -12.09326 19.64420 
1 1 1  -15   13   39 o  113.979   11.726   39.676   6.3634   24.657   10.036   49.775   8.2293   92.703   20.571  135.255   11.260 -42.55198 23.45118 
1 1 1  -15   13   40 o  291.611   6.0952  230.901   9.5725  230.123   14.113  231.565   13.027  291.098   8.9721  292.123   8.2527 -1.025513 12.19039 
1 1 1  -15   13   41 o   55.936   14.517   6.5376   5.7103   9.8396   9.0055   4.3172   7.3847   62.450   21.751   49.423   19.232 13.02744 29.03432 
1 1 1  -15   13   42 f  395.938   6.2791  425.484   13.399  433.722   19.753  418.462   18.237  399.411   9.1521  392.465   8.5994 6.946167 12.55825 
1 1 1  -15   13   43 o  236.119   6.3079  151.763   7.9862  151.034   12.049  152.334   10.666  235.510   9.4678  236.728   8.3378 -1.218292 12.61577 
1 1 1  -15   13   44 o  372.206   6.1560  376.266   12.340  385.926   18.309  368.227   16.703  376.482   9.0000  367.930   8.4014 8.551819 12.31192 
1 1 1  -15   13   45 o  351.858   6.1036  337.209   11.586  334.579   16.840  339.573   15.964  350.473   8.8920  353.244   8.3634 -2.770935 12.20714 
1 1 1  -15   13   46 o  210.861   6.4762  121.555   7.3439  118.829   10.861  123.851   9.9677  208.567   9.6373  213.154   8.6539 -4.587112 12.95248 
1 1 1  -15   13   47 o  168.307   7.2726   77.173   6.5582   81.061   10.043   74.283   8.6592  171.856   10.815  164.759   9.7261 7.096405 14.54529 
1 1 1  -15   13   48 o  247.537   6.1673  167.320   8.1626  167.834   12.486  166.936   10.787  247.673   9.3296  247.400   8.0686 0.2733307 12.33464 
1 1 1  -15   13   49 f  164.033   7.6924   74.703   6.7585   67.766   9.9180   80.716   9.2346  156.616   11.719  171.450   9.9676 -14.83406 15.38486 
1 1 1  -15   13   50 o  436.771   6.6555  522.969   15.666  535.865   23.129  512.037   21.294  441.523   9.6941  432.019   9.1217 9.504486 13.31094 
1 1 1  -15   13   51 f   45.272   13.482   0.3320   5.7594   5.5216   8.6879  -3.7367   7.6927   52.671   20.753   37.874   17.215 14.79717 26.96369 
1 1 1  -15   13   52 o  225.645   6.2877  140.217   7.6178  137.811   11.377  142.171   10.256  223.652   9.4139  227.637   8.3378 -3.985443 12.57543 
1 1 1  -15   13   53 o  101.978   10.893   29.257   5.9470   32.817   9.2072   26.709   7.7899  107.041   15.918   96.916   14.875 10.12507 21.78636 
1 1 1  -15   13   54 o  183.611   7.1015   93.817   7.0034   90.301   10.369   96.766   9.4966  180.140   10.653  187.082   9.3939 -6.942474 14.20297 
1 1 1  -15   13   55 o   40.540   12.881  -2.2190   5.8440  -3.0584   8.9594  -1.5974   7.7098   41.296   18.694   39.783   17.727 1.512787 25.76246 
1 1 1  -15   13   56 o  311.177   6.2591  268.211   10.488  260.762   15.353  274.729   14.362  306.783   9.2613  315.570   8.4224 -8.787292 12.51828 
1 1 1  -15   13   57 o  143.202   8.7748   58.206   6.6919   58.560   10.375   57.954   8.7572  142.975   13.428  143.429   11.299 -0.4534607 17.54955 
1 1 1  -15   13   58 f   63.702   15.468   12.459   6.4064   14.713   9.6698   10.696   8.5528   67.673   22.562   59.730   21.166 7.942856 30.93641 
1 1 1  -15   13   59 o   72.959   15.160   17.977   7.7233   29.653   10.234   2.5270   11.772   95.052   20.525   50.865   22.316 44.18703 30.31969 
1 1 1  -15   13   60 o  119.778   13.559   43.426   8.3987   33.470   10.873   58.153   13.224  101.617   20.508  137.938   17.742 -36.32088 27.11754 
1 1 1  -15   13   61 o  142.283   13.726   59.266   10.553   0.0000   0.0000   59.266   10.553  ?   ?   142.283   13.726      ?      ? 
1 1 1  -15   13   62 o  118.699   16.243   52.411   10.078   46.419   14.961   57.387   13.635  107.317   26.059  130.081   19.398 -22.76344 32.48652 
1 1 1  -15   13   63 o  131.364   13.081   57.138   8.6998   62.019   11.371   50.248   13.510  142.560   14.761  120.169   21.599 22.39164 26.16137 
1 1 1  -15   14    1 o  665.629   12.260  1199.69   44.088  1175.45   61.555  1225.22   63.176  658.732   17.293  672.526   17.384 -13.79327 24.52050 
1 1 1  -15   14    2 o  1071.00   13.027  3107.95   75.387  3082.02  105.843  3134.65  107.401  1066.48   18.366  1075.53   18.480 -9.047241 26.05430 
1 1 1  -15   14    3 o  550.969   7.3784  820.873   21.964  825.857   31.379  816.084   30.754  552.605   10.508  549.333   10.360 3.272156 14.75684 
1 1 1  -15   14    5 o  851.208   14.901  1961.42   68.538   0.0000   0.0000  1961.42   68.538  ?   ?   851.208   14.901      ?      ? 
1 1 1  -15   14    6 o  609.315   7.9724  1004.11   26.244  1009.38   37.515  999.047   36.728  610.878   11.365  607.753   11.184 3.124878 15.94471 
1 1 1  -15   14    7 o  1330.39   15.995  4800.87  114.936  4718.14  159.774  4889.59  165.464  1318.57   22.424  1342.21   22.814 -23.64050 31.98911 
1 1 1  -15   14    8 o  641.613   8.2842  1112.67   28.708  1085.33   39.833  1142.23   41.410  633.422   11.638  649.804   11.793 -16.38226 16.56848 
1 1 1  -15   14    9 o  879.039   10.838  2091.57   51.472  2066.60   72.021  2117.65   73.588  873.685   15.255  884.392   15.398 -10.70758 21.67563 
1 1 1  -15   14   10 o  347.718   5.7724  326.303   10.837  310.708   14.978  343.431   15.698  339.015   8.1762  356.421   8.1505 -17.40628 11.54472 
1 1 1  -15   14   11 o  591.885   7.7995  947.550   24.943  947.158   35.497  947.934   35.057  591.759   11.101  592.010   10.959 -0.2505493 15.59894 
1 1 1  -15   14   12 o  765.220   9.6198  1584.43   39.774  1562.27   55.807  1607.30   56.702  759.785   13.593  770.656   13.616 -10.87091 19.23958 
1 1 1  -15   14   13 o  699.523   8.9139  1323.62   33.689  1302.41   47.138  1345.77   48.166  693.799   12.573  705.247   12.639 -11.44836 17.82781 
1 1 1  -15   14   14 o  867.838   10.735  2038.80   50.336  2011.71   70.466  2067.02   71.929  861.959   15.129  873.716   15.235 -11.75745 21.47066 
1 1 1  -15   14   15 o  856.228   10.615  1984.17   49.099  1947.64   68.367  2023.08   70.556  848.105   14.918  864.351   15.106 -16.24597 21.23081 
1 1 1  -15   14   16 o  467.651   9.3618  591.421   23.658   0.0000   0.0000  591.421   23.658  ?   ?   467.651   9.3618      ?      ? 
1 1 1  -15   14   17 o  223.876   6.1941  135.540   7.4812  125.494   10.485  145.957   10.678  215.421   9.0073  232.332   8.5051 -16.91129 12.38819 
1 1 1  -15   14   18 o  498.185   6.9655  671.372   18.750  663.547   26.541  679.168   26.492  495.284   9.9169  501.087   9.7840 -5.803467 13.93095 
1 1 1  -15   14   19 o  340.485   5.9677  312.728   10.966  295.121   15.092  332.423   15.962  330.356   8.4542  350.614   8.4249 -20.25790 11.93537 
1 1 1  -15   14   20 o  245.763   8.5349  163.332   11.335   0.0000   0.0000  163.332   11.335  ?   ?   245.763   8.5349      ?      ? 
1 1 1  -15   14   21 o  764.987   9.6685  1583.83   39.954  1553.04   55.653  1616.58   57.395  757.328   13.599  772.646   13.747 -15.31799 19.33706 
1 1 1  -15   14   22 o  208.113   9.5522  117.153   10.742   0.0000   0.0000  117.153   10.742  ?   ?   208.113   9.5522      ?      ? 
1 1 1  -15   14   23 o  585.920   7.8879  928.121   24.959  900.952   34.572  957.697   36.071  576.980   11.089  594.861   11.222 -17.88062 15.77589 
1 1 1  -15   14   24 o  643.904   8.4595  1121.89   29.427  1099.09   41.050  1145.98   42.206  637.184   11.922  650.625   12.005 -13.44116 16.91903 
1 1 1  -15   14   25 o  559.180   7.6725  846.120   23.175  849.088   33.248  843.316   32.320  560.122   10.985  558.238   10.714 1.884033 15.34491 
1 1 1  -15   14   26 o  343.542   6.2974  319.525   11.677  313.052   16.816  325.552   16.227  340.168   9.1485  346.917   8.6564 -6.748810 12.59474 
1 1 1  -15   14   27 o  381.902   6.4540  394.382   13.314  379.660   18.578  409.925   19.089  374.577   9.1785  389.227   9.0759 -14.64999 12.90805 
1 1 1  -15   14   28 o  583.417   7.8832  921.756   24.851  909.200   35.164  934.285   35.125  579.437   11.230  587.396   11.066 -7.958374 15.76643 
1 1 1  -15   14   29 o  341.122   6.3369  315.206   11.661  308.938   16.897  320.906   16.112  337.863   9.2552  344.381   8.6583 -6.518005 12.67380 
1 1 1  -15   14   30 o  873.460   10.875  2072.41   51.319  2042.72   71.819  2103.37   73.357  867.087   15.328  879.832   15.430 -12.74463 21.74918 
1 1 1  -15   14   31 o  677.937   8.7959  1246.10   32.213  1217.17   44.892  1276.81   46.249  669.838   12.403  686.035   12.476 -16.19720 17.59176 
1 1 1  -15   14   32 o  320.683   7.7048  270.448   12.096  298.423   23.041  259.804   14.212  331.582   12.860  309.784   8.4903 21.79822 15.40951 
1 1 1  -15   14   33 o  405.896   13.301  447.522   29.173  447.522   29.173   0.0000   0.0000  405.896   13.301  ?   ?       ?      ? 
1 1 1  -15   14   35 o  293.037   9.2141  232.224   14.538  207.477   19.786  261.261   21.433  276.134   13.260  309.939   12.797 -33.80551 18.42814 
1 1 1  -15   14   36 o  232.219   9.4794  146.489   11.880  138.559   16.330  155.405   17.315  225.561   13.398  238.878   13.414 -13.31699 18.95878 
1 1 1  -15   14   37 f  174.238   7.6848   83.086   7.1821   75.759   10.498   89.533   9.8472  166.891   11.641  181.585   10.036 -14.69362 15.36970 
1 1 1  -15   14   38 o  268.711   6.2722  196.069   9.0521  195.185   13.552  196.782   12.164  268.095   9.3543  269.327   8.3581 -1.232056 12.54432 
1 1 1  -15   14   39 o  181.423   7.4277   90.490   7.1909   82.206   10.743   97.215   9.6790  173.702   11.446  189.144   9.4700 -15.44226 14.85537 
1 1 1  -15   14   40 o  183.343   7.1660   91.407   7.0710   91.825   10.490   91.059   9.5727  183.672   10.569  183.013   9.6797 0.6587830 14.33194 
1 1 1  -15   14   41 o  229.294   6.4357  143.087   7.9065  141.929   11.959  143.986   10.538  228.372   9.6906  230.216   8.4713 -1.843491 12.87135 
1 1 1  -15   14   42 o  120.747   10.134   39.965   6.5715   41.429   9.9274   38.824   8.7673  122.606   14.984  118.888   13.647 3.718056 20.26737 
1 1 1  -15   14   43 o  263.652   6.2050  189.950   8.8015  178.662   12.810  200.045   12.114  256.094   9.2566  271.211   8.2658 -15.11716 12.41001 
1 1 1  -15   14   44 o  120.106   9.8015   39.754   6.3371   39.777   9.3765   39.734   8.5982  120.036   14.456  120.177   13.240 -0.1414795 19.60292 
1 1 1  -15   14   45 o  196.628   6.8392  104.796   7.1631  110.514   11.234  100.878   9.2987  200.954   10.345  192.302   8.9485 8.652206 13.67847 
1 1 1  -15   14   46 o  262.134   6.2522  188.359   8.8151  177.838   12.868  197.662   12.100  255.051   9.3365  269.216   8.3179 -14.16521 12.50430 
1 1 1  -15   14   47 o  191.587   7.1322  101.506   7.2868   94.443   11.005  107.020   9.7240  185.341   10.988  197.834   9.0961 -12.49361 14.26447 
1 1 1  -15   14   48 o  211.947   6.7576  123.236   7.7005  122.701   11.463  123.676   10.395  211.367   10.036  212.527   9.0518 -1.160309 13.51527 
1 1 1  -15   14   49 o  309.752   6.1581  263.350   10.273  256.232   15.039  269.576   14.065  305.621   9.1062  313.883   8.2927 -8.261749 12.31630 
1 1 1  -15   14   50 o  205.406   6.8683  116.317   7.5201  115.055   11.588  117.236   9.8841  204.119   10.506  206.693   8.8496 -2.574280 13.73653 
1 1 1  -15   14   51 o  138.492   8.7551   53.233   6.4195   55.359   10.227   51.850   8.2466  140.334   13.486  136.651   11.168 3.683319 17.51010 
1 1 1  -15   14   52 o   62.827   14.179   11.784   5.7510   5.9360   9.0219   15.786   7.4642   53.507   21.127   72.146   18.915 -18.63913 28.35724 
1 1 1  -15   14   53 o   66.905   14.651   13.702   5.8156   12.998   8.9880   14.210   7.6274   65.687   21.745   68.123   19.641 -2.436592 29.30231 
1 1 1  -15   14   54 o   59.291   14.645   10.202   5.8502   7.4786   9.1211   12.106   7.6253   55.483   21.434   63.098   19.963 -7.615292 29.29055 
1 1 1  -15   14   55 o  185.605   7.4332   96.299   7.3680   95.012   11.261   97.263   9.7432  184.046   11.323  187.165   9.6335 -3.119690 14.86643 
1 1 1  -15   14   56 o   91.344   13.403   24.656   6.4934   34.016   10.153   18.178   8.4468  106.961   17.566   75.728   20.250 31.23365 26.80696 
1 1 1  -15   14   57 o  104.583   12.150   33.103   6.5434   32.055   10.250   33.824   8.5008  101.242   19.443  107.924   14.577 -6.682205 24.30042 
1 1 1  -15   14   58 o   49.199   15.202   2.2035   7.5942   2.6888   9.9612   1.5300   11.735   48.412   20.890   49.986   22.092 -1.574612 30.40448 
1 1 1  -15   14   59 o  185.171   15.550  102.140   15.559   0.0000   0.0000  102.140   15.559  ?   ?   185.171   15.550      ?      ? 
1 1 1  -15   14   60 o   33.679   16.374 -13.3104   9.4573   0.0000   0.0000 -13.3104   9.4573  ?   ?    33.679   16.374      ?      ? 
1 1 1  -15   14   61 o  175.219   13.401  105.401   11.956   79.189   17.976  126.194   16.010  148.232   22.442  202.206   14.653 -53.97304 26.80235 
1 1 1  -15   14   62 o  252.113   8.6073  187.492   11.476  192.843   14.960  179.842   17.888  258.766   10.699  245.460   13.486 13.30614 17.21459 
1 1 1  -15   14   63 f   43.435   13.851   0.0253   6.8708   6.1364   10.565  -4.4535   9.0447   49.697   21.479   37.173   17.496 12.52422 27.70281 
1 1 1  -15   15    2 o  564.815   7.5869  862.625   23.153  847.433   32.477  878.326   33.017  559.759   10.737  569.871   10.722 -10.11218 15.17382 
1 1 1  -15   15    3 o  1137.71   13.786  3508.07   84.737  3463.38  118.346  3555.09  121.384  1130.30   19.376  1145.12   19.617 -14.81982 27.57260 
1 1 1  -15   15    4 o  259.611   5.8740  182.016   8.2347  173.050   11.454  191.606   11.847  253.000   8.3783  266.222   8.2351 -13.22202 11.74794 
1 1 1  -15   15    5 o  834.550   10.380  1885.39   46.810  1884.14   66.281  1886.65   66.117  834.270   14.703  834.830   14.656 -0.5599365 20.76003 
1 1 1  -15   15    6 o  299.288   5.9256  242.226   9.5792  239.810   13.708  244.532   13.392  297.826   8.5175  300.750   8.2404 -2.924133 11.85126 
1 1 1  -15   15    8 o  869.085   10.796  2045.00   50.700  2030.07   71.378  2060.21   72.028  865.885   15.255  872.285   15.281 -6.399658 21.59253 
1 1 1  -15   15    9 o  762.131   9.6123  1572.07   39.585  1573.66   56.200  1570.51   55.766  762.508   13.640  761.755   13.548 0.7531738 19.22453 
1 1 1  -15   15   10 o  683.533   8.8071  1263.28   32.516  1230.79   45.191  1298.15   46.821  674.432   12.400  692.634   12.510 -18.20245 17.61411 
1 1 1  -15   15   11 o  557.682   10.604  841.243   31.955   0.0000   0.0000  841.243   31.955  ?   ?   557.682   10.604      ?      ? 
1 1 1  -15   15   12 o  748.549   9.4823  1516.69   38.354  1502.21   54.056  1531.37   54.427  744.950   13.429  752.149   13.391 -7.198853 18.96454 
1 1 1  -15   15   13 o  366.416   8.5143  363.037   16.858   0.0000   0.0000  363.037   16.858  ?   ?   366.416   8.5143      ?      ? 
1 1 1  -15   15   14 o  481.479   6.8668  626.821   17.863  612.729   25.012  641.491   25.519  475.957   9.7249  487.001   9.6972 -11.04422 13.73357 
1 1 1  -15   15   15 o  426.543   9.0978  492.057   20.969   0.0000   0.0000  492.057   20.969  ?   ?   426.543   9.0978      ?      ? 
1 1 1  -15   15   16 o  868.007   10.779  2039.42   50.524  1988.77   69.916  2094.77   73.092  856.762   15.102  879.252   15.384 -22.48987 21.55764 
1 1 1  -15   15   17 o  511.795   7.1752  708.463   19.837  712.797   28.450  704.362   27.674  513.311   10.257  510.279   10.036 3.032379 14.35034 
1 1 1  -15   15   18 o  534.684   7.4112  771.878   21.389  740.289   29.422  807.287   31.150  523.109   10.409  546.258   10.553 -23.14893 14.82241 
1 1 1  -15   15   19 f  297.043   8.8964  238.626   14.280   0.0000   0.0000  238.626   14.280  ?   ?   297.043   8.8964      ?      ? 
1 1 1  -15   15   20 o  809.586   10.179  1775.13   44.522  1748.35   62.200  1803.26   63.755  803.338   14.329  815.835   14.462 -12.49677 20.35817 
1 1 1  -15   15   21 o  698.381   9.0204  1320.27   34.035  1297.95   47.562  1343.70   48.724  692.339   12.713  704.423   12.800 -12.08374 18.04079 
1 1 1  -15   15   22 o  617.924   8.2306  1033.52   27.482  1024.85   38.761  1042.29   38.971  615.315   11.657  620.533   11.622 -5.218323 16.46119 
1 1 1  -15   15   23 o  712.538   9.1900  1373.40   35.360  1332.52   48.897  1418.21   51.194  701.449   12.900  723.627   13.092 -22.17804 18.37999 
1 1 1  -15   15   24 o  396.991   6.5566  426.497   14.062  420.671   20.016  432.175   19.759  394.306   9.3941  399.676   9.1491 -5.369965 13.11315 
1 1 1  -15   15   25 o  292.709   6.4288  232.008   10.152  228.480   14.720  235.208   14.020  290.572   9.3746  294.846   8.7997 -4.274231 12.85763 
1 1 1  -15   15   26 o  350.407   6.4177  332.022   12.146  317.662   16.960  347.140   17.402  342.630   9.1604  358.184   8.9909 -15.55447 12.83545 
1 1 1  -15   15   27 o  971.198   11.984  2562.49   62.892  2540.85   88.518  2584.55   89.375  967.061   16.939  975.334   16.958 -8.273621 23.96879 
1 1 1  -15   15   28 f  292.948   6.4695  232.380   10.204  231.567   15.069  233.068   13.868  292.450   9.5357  293.446   8.7457 -0.9956970 12.93895 
1 1 1  -15   15   29 o  700.879   9.0634  1332.92   34.323  1331.33   48.832  1334.47   48.254  700.447   12.901  701.311   12.733 -0.8643188 18.12681 
1 1 1  -15   15   30 o  164.290   8.2513   73.079   7.2602   74.063   11.061   72.335   9.6235  165.221   12.389  163.359   10.902 1.861847 16.50269 
1 1 1  -15   15   31 o  158.617   11.930   67.288   9.1294   71.351   17.642   65.802   10.669  161.542   20.211  155.692   12.681 5.849197 23.85976 
1 1 1  -15   15   34 o   77.176   18.778   15.224   9.5098   13.329   13.629   17.023   13.276   74.484   26.684   79.869   26.427 -5.384483 37.55599 
1 1 1  -15   15   35 o  483.919   8.6503  639.096   21.249  631.306   36.924  642.953   25.982  481.124   14.203  486.714   9.8791 -5.590302 17.30062 
1 1 1  -15   15   36 o  158.204   8.7220   69.657   7.2687   59.814   11.100   77.045   9.6175  148.038   13.876  168.370   10.571 -20.33170 17.44401 
1 1 1  -15   15   37 f  162.309   8.3271   72.571   7.2158   61.296   10.386   83.090   10.032  149.861   12.826  174.757   10.624 -24.89607 16.65415 
1 1 1  -15   15   38 o  569.080   7.7914  881.874   23.957  875.470   34.060  888.144   33.702  566.995   11.117  571.164   10.920 -4.168396 15.58278 
1 1 1  -15   15   39 o  156.094   8.0587   65.741   6.7426   71.666   10.358   61.383   8.8824  162.082   11.826  150.107   10.951 11.97537 16.11737 
1 1 1  -15   15   40 o  151.712   8.0242   61.958   6.5154   69.101   10.099   56.866   8.5273  159.041   11.752  144.383   10.930 14.65750 16.04850 
1 1 1  -15   15   41 f   93.416   12.713   26.218   6.1020   17.099   9.2354   33.283   8.1291   76.783   21.438  110.050   13.670 -33.26749 25.42576 
1 1 1  -15   15   42 o   68.279   14.743   13.427   6.0741   9.2539   9.4568   16.358   7.9249   61.511   22.205   75.047   19.400 -13.53565 29.48630 
1 1 1  -15   15   43 o  157.085   7.9612   68.032   6.6621   64.531   10.165   70.669   8.8209  153.321   12.269  160.848   10.149 -7.527069 15.92233 
1 1 1  -15   15   44 o  108.785   10.640   32.225   6.1872   37.554   9.6514   28.507   8.0616  116.206   15.370  101.365   14.718 14.84084 21.28036 
1 1 1  -15   15   45 o  216.838   6.6623  129.081   7.7705  121.899   11.341  135.436   10.668  210.981   9.9476  222.695   8.8653 -11.71371 13.32469 
1 1 1  -15   15   46 o  252.955   6.2736  174.954   8.5203  174.230   12.776  175.534   11.434  252.316   9.3707  253.594   8.3441 -1.277267 12.54727 
1 1 1  -15   15   47 o  236.585   6.5138  152.884   8.2883  158.175   12.420  148.636   11.129  240.133   9.5712  233.037   8.8380 7.095230 13.02759 
1 1 1  -15   15   48 o  196.070   7.1776  105.815   7.5264  106.113   11.498  105.591   9.9557  196.048   10.853  196.092   9.3955 -0.4344177E-01 14.35529 
1 1 1  -15   15   49 f   69.050   14.603   12.835   6.0073   21.349   9.6707   7.4855   7.6656   83.597   21.336   54.502   19.943 29.09496 29.20573 
1 1 1  -15   15   50 o  252.452   6.3514  175.680   8.5990  171.809   12.895  178.780   11.539  249.647   9.5592  255.257   8.3657 -5.610107 12.70290 
1 1 1  -15   15   51 f   89.010   13.373   24.421   6.3105   18.128   9.4931   29.404   8.4469   76.487   21.870  101.533   15.396 -25.04623 26.74543 
1 1 1  -15   15   52 o  109.743   12.005   37.426   6.4470   22.097   9.3571   51.280   8.8953   84.317   20.692  135.170   12.179 -50.85268 24.00961 
1 1 1  -15   15   53 o   63.585   13.979   12.056   5.9244   3.7786   8.9140   18.606   7.9290   49.521   20.470   77.650   19.042 -28.12852 27.95792 
1 1 1  -15   15   54 o   94.580   12.456   25.677   6.1400   33.711   9.8579   20.584   7.8482  107.165   17.023   81.995   18.189 25.17043 24.91267 
1 1 1  -15   15   55 o   53.268   14.073   6.4260   6.1068  -2.6262   9.6789   12.413   7.8712   43.144   19.489   63.392   20.306 -20.24823 28.14551 
1 1 1  -15   15   56 o   84.678   13.437   24.518   6.4147   11.021   10.055   33.782   8.3303   61.336   22.771  108.021   14.271 -46.68438 26.87385 
1 1 1  -15   15   57 o  117.400   10.893   41.242   6.8029   38.607   10.319   43.268   9.0473  112.975   16.903  121.825   13.743 -8.849899 21.78553 
1 1 1  -15   15   58 o  209.226   9.2398  129.442   9.9339  136.633   12.534  117.297   16.289  219.680   10.559  198.772   15.166 20.90747 18.47955 
1 1 1  -15   15   59 o  174.751   14.756   89.887   13.934   0.0000   0.0000   89.887   13.934  ?   ?   174.751   14.756      ?      ? 
1 1 1  -15   15   60 o  140.741   17.212   63.491   13.090   0.0000   0.0000   63.491   13.090  ?   ?   140.741   17.212      ?      ? 
1 1 1  -15   15   61 o   61.807   16.562   13.090   8.0748   18.677   10.798   6.0023   12.162   70.527   23.842   53.087   22.994 17.43974 33.12397 
1 1 1  -15   15   62 o  107.632   12.607   38.133   7.1425   43.782   10.786   33.720   9.5318  115.570   17.272   99.695   18.370 15.87457 25.21472 
1 1 1  -15   16    1 o  591.120   7.9333  945.177   25.334  951.860   36.296  938.828   35.377  593.150   11.324  589.090   11.114 4.059998 15.86656 
1 1 1  -15   16    2 o  1067.60   13.054  3088.87   75.280  3032.39  104.730  3149.24  108.283  1057.54   18.327  1077.67   18.595 -20.12695 26.10811 
1 1 1  -15   16    4 o  395.825   6.3316  423.702   13.540  422.147   19.303  425.209   18.999  395.106   9.0413  396.543   8.8663 -1.437103 12.66320 
1 1 1  -15   16    5 o  694.162   8.9459  1303.98   33.549  1312.50   48.002  1295.83   46.909  696.370   12.756  691.954   12.546 4.416321 17.89180 
1 1 1  -15   16    6 o  487.938   6.9930  643.883   18.437  632.660   25.940  655.340   26.209  483.640   9.9256  492.236   9.8534 -8.596527 13.98598 
1 1 1  -15   16    7 o  1208.26   14.641  3960.49   95.537  3882.53  132.485  4044.95  137.898  1195.93   20.501  1220.58   20.908 -24.64465 29.28157 
1 1 1  -15   16    9 o  787.197   9.9210  1677.33   42.188  1646.59   58.774  1710.01   60.594  779.771   13.948  794.623   14.112 -14.85217 19.84191 
1 1 1  -15   16   10 o  244.575   9.0354  161.773   11.941  161.773   11.941   0.0000   0.0000  244.575   9.0354  ?   ?       ?      ? 
1 1 1  -15   16   11 o  540.516   10.476  790.415   30.599   0.0000   0.0000  790.415   30.599  ?   ?   540.516   10.476      ?      ? 
1 1 1  -15   16   12 o  596.769   8.0039  962.934   25.800  933.468   35.893  994.435   37.112  587.331   11.309  606.206   11.329 -18.87506 16.00784 
1 1 1  -15   16   13 o  986.088   17.136  2636.40   91.311   0.0000   0.0000  2636.40   91.311  ?   ?   986.088   17.136      ?      ? 
1 1 1  -15   16   15 o  620.181   8.2662  1040.83   27.700  1046.12   39.453  1035.69   38.901  621.730   11.743  618.633   11.637 3.097046 16.53237 
1 1 1  -15   16   16 o  215.090   10.773  125.179   12.521  125.179   12.521   0.0000   0.0000  215.090   10.773  ?   ?       ?      ? 
1 1 1  -15   16   18 o  583.753   7.9226  922.211   24.989  906.321   35.182  938.388   35.500  578.675   11.251  588.831   11.157 -10.15656 15.84527 
1 1 1  -15   16   19 o  514.442   7.3531  716.143   20.439  703.627   28.892  728.680   28.917  509.936   10.485  518.948   10.312 -9.011841 14.70625 
1 1 1  -15   16   20 o  512.621   7.3393  710.988   20.329  699.449   28.613  722.750   28.887  508.418   10.415  516.823   10.344 -8.404602 14.67853 
1 1 1  -15   16   21 o  706.472   9.1310  1351.12   34.846  1322.50   48.512  1381.62   50.084  698.757   12.848  714.187   12.978 -15.43011 18.26194 
1 1 1  -15   16   22 o  297.377   6.5008  238.748   10.434  224.582   14.393  254.441   15.148  288.097   9.2452  306.657   9.1416 -18.55966 13.00159 
1 1 1  -15   16   23 f  419.112   6.7109  475.397   15.196  465.075   21.464  485.771   21.518  414.544   9.5818  423.681   9.3987 -9.136627 13.42187 
1 1 1  -15   16   24 o  617.059   8.2676  1028.88   27.530  985.775   37.744  1077.88   40.241  603.296   11.578  630.822   11.805 -27.52582 16.53516 
1 1 1  -15   16   25 o   62.638   15.734   8.4842   6.8858   13.494   10.033   4.0237   9.4673   71.252   22.937   54.024   21.544 17.22842 31.46794 
1 1 1  -15   16   26 o  414.903   9.2458  466.045   20.729   0.0000   0.0000  466.045   20.729  ?   ?   414.903   9.2458      ?      ? 
1 1 1  -15   16   27 o  153.147   9.0389   63.716   7.4629   62.384   10.864   64.905   10.269  151.605   13.262  154.689   12.285 -3.083206 18.07773 
1 1 1  -15   16   28 o  237.884   6.8558  153.791   8.7454  148.885   13.089  157.747   11.754  234.404   10.334  241.364   9.0120 -6.959778 13.71161 
1 1 1  -15   16   29 o  318.503   8.2937  278.272   13.271  266.667   23.342  283.815   16.131  313.299   13.787  323.707   9.2222 -10.40866 16.58741 
1 1 1  -15   16   32 o  437.430   13.606  520.946   32.160  520.946   32.160   0.0000   0.0000  437.430   13.606  ?   ?       ?      ? 
1 1 1  -15   16   33 o  171.667   9.3348   75.658   8.2093   94.797   14.670   66.931   9.9056  186.423   14.563  156.910   11.683 29.51263 18.66957 
1 1 1  -15   16   34 o  207.676   7.3391  117.884   8.1814  108.486   11.959  126.152   11.217  199.769   11.078  215.582   9.6290 -15.81297 14.67821 
1 1 1  -15   16   35 o  395.749   6.5469  425.536   13.991  414.323   19.974  436.338   19.604  390.583   9.4636  400.915   9.0493 -10.33136 13.09386 
1 1 1  -15   16   36 o  583.411   7.9812  927.069   25.158  908.035   35.434  946.419   35.727  577.343   11.358  589.479   11.216 -12.13641 15.96243 
1 1 1  -15   16   37 o  431.467   6.7173  506.091   15.654  501.062   22.428  510.868   21.859  429.331   9.6673  433.603   9.3291 -4.271332 13.43464 
1 1 1  -15   16   38 o  155.048   8.5842   66.214   7.1228   60.453   10.530   71.073   9.6708  148.639   13.111  161.457   11.085 -12.81787 17.16838 
1 1 1  -15   16   39 o  140.079   9.1606   53.369   6.9065   60.036   10.269   47.863   9.3324  148.024   12.839  132.134   13.070 15.88976 18.32116 
1 1 1  -15   16   40 o  224.117   6.8031  137.191   8.1847  134.122   12.221  139.688   11.022  221.718   10.200  226.515   9.0046 -4.797409 13.60623 
1 1 1  -15   16   41 o   90.361   12.964   23.597   6.1340   20.925   9.3947   25.581   8.0985   84.584   20.719   96.138   15.589 -11.55402 25.92827 
1 1 1  -15   16   42 o  191.290   6.8675   99.576   7.0519  102.638   10.668   97.200   9.3978  193.794   10.188  188.786   9.2123 5.008057 13.73507 
1 1 1  -15   16   43 o  204.766   6.8469  113.354   7.5242  125.900   11.493  103.942   9.9540  214.511   9.9148  195.022   9.4455 19.48936 13.69384 
1 1 1  -15   16   44 o  118.012   10.043   38.431   6.3608   40.808   9.6795   36.624   8.4388  121.066   14.796  114.959   13.585 6.106689 20.08636 
1 1 1  -15   16   45 o   71.213   14.607   14.142   6.0016   20.182   9.3829   9.9592   7.8075   82.209   21.035   60.217   20.274 21.99158 29.21487 
1 1 1  -15   16   46 o  143.869   8.5713   57.352   6.5877   57.194   10.089   57.470   8.6979  143.425   13.018  144.313   11.154 -0.8877563 17.14262 
1 1 1  -15   16   47 o   42.151   12.877  -6.0753   5.8339   6.6566   9.2571 -14.4630   7.5137   55.621   21.564   28.682   14.082 26.93880 25.75455 
1 1 1  -15   16   48 o  154.355   8.0375   65.788   6.5919   67.699   10.365   64.491   8.5420  155.884   12.305  152.825   10.344 3.059280 16.07509 
1 1 1  -15   16   49 o  135.962   9.2475   52.936   6.6009   46.059   10.191   57.907   8.6637  127.495   14.793  144.429   11.101 -16.93462 18.49502 
1 1 1  -15   16   50 o  124.078   9.7611   42.651   6.4355   48.020   10.276   39.185   8.2550  130.052   14.622  118.104   12.935 11.94846 19.52215 
1 1 1  -15   16   51 o  153.661   8.3055   64.765   6.8075   74.678   10.730   58.085   8.8072  163.103   12.174  144.219   11.301 18.88322 16.61094 
1 1 1  -15   16   52 o  142.068   8.7402   56.301   6.6149   60.619   10.400   53.368   8.5725  146.190   13.165  137.946   11.500 8.244308 17.48049 
1 1 1  -15   16   53 o  105.569   11.463   32.458   6.4704   32.522   9.8662   32.410   8.5709  105.090   17.374  106.047   14.957 -0.9570389 22.92515 
1 1 1  -15   16   54 o   52.908   13.985   6.1211   6.0630  -2.8684   9.4296   12.457   7.9164   42.334   19.170   63.482   20.368 -21.14709 27.96998 
1 1 1  -15   16   55 o  115.624   10.644   37.760   6.5428   48.060   10.333   30.867   8.4533  128.464   14.885  102.784   15.220 25.67941 21.28894 
1 1 1  -15   16   56 o  115.137   11.608   38.464   6.7751   56.202   10.684   26.535   8.7621  138.475   14.278   91.798   18.306 46.67746 23.21599 
1 1 1  -15   16   57 o   95.470   15.993   32.798   8.3556   38.742   10.495   22.511   13.808  112.747   17.227   78.193   26.950 34.55363 31.98562 
1 1 1  -15   16   58 o   70.144   25.083   16.696   12.037   0.0000   0.0000   16.696   12.037  ?   ?    70.144   25.083      ?      ? 
1 1 1  -15   16   59 o   61.008   24.202   13.124   11.890   0.0000   0.0000   13.124   11.890  ?   ?    61.008   24.202      ?      ? 
1 1 1  -15   16   60 o   49.639   15.393   3.4078   8.0719   7.1909   10.908  -1.1718   12.001   53.159   22.357   46.118   21.165 7.040752 30.78684 
1 1 1  -15   16   61 o   80.225   15.369   24.608   6.9283   20.720   10.822   27.309   9.0190   71.826   23.865   88.624   19.374 -16.79819 30.73862 
1 1 1  -15   17    1 o  582.074   7.9063  915.987   24.856  890.547   34.511  943.411   35.830  573.687   11.132  590.461   11.230 -16.77393 15.81256 
1 1 1  -15   17    2 o  712.825   9.2076  1375.20   35.460  1349.49   49.594  1402.09   50.722  706.014   12.999  719.637   13.044 -13.62292 18.41526 
1 1 1  -15   17    3 o  675.078   8.8264  1233.64   32.197  1231.26   45.698  1235.98   45.370  674.427   12.539  675.729   12.425 -1.301697 17.65274 
1 1 1  -15   17    4 o  435.702   9.5444  513.467   22.471   0.0000   0.0000  513.467   22.471  ?   ?   435.702   9.5444      ?      ? 
1 1 1  -15   17    5 o  219.094   6.9549  129.476   8.2220  138.738   11.985  121.244   11.300  226.474   9.7936  211.713   9.8777 14.76158 13.90981 
1 1 1  -15   17   10 o  463.857   7.0338  582.123   17.624  578.489   25.228  585.587   24.631  462.434   10.096  465.280   9.7966 -2.845398 14.06757 
1 1 1  -15   17   11 o  695.162   9.0536  1307.75   34.001  1280.87   47.457  1336.09   48.738  687.831   12.768  702.493   12.839 -14.66180 18.10722 
1 1 1  -15   17   12 o  359.391   6.5393  349.392   12.694  335.608   17.882  363.392   18.022  352.239   9.3947  366.543   9.0989 -14.30359 13.07860 
1 1 1  -15   17   13 o  459.569   6.9489  571.417   17.253  569.611   24.645  573.153   24.159  458.850   9.9398  460.289   9.7133 -1.438202 13.89778 
1 1 1  -15   17   14 o  734.614   9.4889  1458.44   37.616  1402.08   51.573  1522.51   54.984  719.502   13.265  749.725   13.572 -30.22314 18.97779 
1 1 1  -15   17   15 f  799.707   14.314  1732.77   61.856   0.0000   0.0000  1732.77   61.856  ?   ?   799.707   14.314      ?      ? 
1 1 1  -15   17   16 o  247.069   7.2035  165.214   9.6132  163.042   13.739  167.298   13.455  245.471   10.358  248.667   10.014 -3.195557 14.40704 
1 1 1  -15   17   17 o  775.723   9.9014  1629.24   41.486  1593.46   57.644  1667.68   59.753  766.910   13.910  784.537   14.095 -17.62646 19.80280 
1 1 1  -15   17   18 o  909.958   11.349  2246.02   55.804  2226.96   78.524  2265.48   79.320  906.060   16.038  913.856   16.063 -7.795532 22.69873 
1 1 1  -15   17   19 o  272.690   6.6876  201.260   9.8495  193.501   13.899  209.086   13.960  267.402   9.6192  277.977   9.2934 -10.57486 13.37524 
1 1 1  -15   17   20 o  399.147   6.6825  430.740   14.404  409.996   20.057  452.834   20.699  389.227   9.5361  409.068   9.3640 -19.84070 13.36495 
1 1 1  -15   17   21 o  621.250   8.3447  1044.19   27.996  1011.02   38.763  1080.36   40.477  610.956   11.741  631.544   11.861 -20.58765 16.68942 
1 1 1  -15   17   22 o  319.031   6.6177  275.065   11.384  281.190   16.727  269.780   15.538  322.321   9.6038  315.741   9.1073 6.579163 13.23541 
1 1 1  -15   17   23 o  556.806   7.7756  839.162   23.385  811.796   32.528  868.438   33.644  547.418   10.996  566.194   10.996 -18.77600 15.55116 
1 1 1  -15   17   24 o  308.166   6.5260  257.329   10.854  252.573   15.661  261.724   15.055  305.405   9.4900  310.927   8.9608 -5.521027 13.05204 
1 1 1  -15   17   25 o  375.462   6.5670  381.830   13.321  374.618   18.900  388.949   18.778  371.927   9.4038  378.997   9.1689 -7.069153 13.13396 
1 1 1  -15   17   26 o   51.705   14.312  -3.3019   7.0178   12.411   10.413 -16.3801   9.4995   69.508   23.413   33.901   16.466 35.60713 28.62311 
1 1 1  -15   17   27 o  499.597   14.590  678.604   39.388   0.0000   0.0000  678.604   39.388  ?   ?   499.597   14.590      ?      ? 
1 1 1  -15   17   31 o   86.763   16.555   20.793   7.7567   25.158   12.717   18.208   9.7884   93.555   24.767   79.972   21.974 13.58362 33.10941 
1 1 1  -15   17   32 o  355.332   6.4884  343.019   12.441  329.028   17.817  356.330   17.379  348.204   9.4693  362.460   8.8729 -14.25558 12.97677 
1 1 1  -15   17   33 o  176.702   8.1790   84.687   7.7689   87.879   11.683   82.156   10.402  179.622   12.036  173.781   11.078 5.840027 16.35792 
1 1 1  -15   17   34 o  209.781   7.2228  120.996   8.0843  109.234   12.056  130.606   10.898  200.286   11.139  219.276   9.1971 -18.99046 14.44552 
1 1 1  -15   17   35 o  111.911   11.804   33.823   6.8662   43.821   10.751   26.936   8.9229  126.350   15.747   97.471   17.588 28.87914 23.60725 
1 1 1  -15   17   36 o  132.315   9.7988   47.202   6.9200   52.565   10.856   43.531   8.9811  138.464   14.510  126.166   13.173 12.29732 19.59758 
1 1 1  -15   17   37 o  491.480   7.1996  658.359   19.112  645.793   27.260  670.506   26.802  486.792   10.363  496.167   9.9967 -9.374878 14.39912 
1 1 1  -15   17   38 o  246.929   6.5927  166.841   8.7377  157.953   12.920  174.332   11.862  240.709   9.9332  253.149   8.6711 -12.44037 13.18547 
1 1 1  -15   17   39 o  300.207   6.4215  245.912   10.380  239.344   15.217  251.628   14.196  296.338   9.5027  304.076   8.6396 -7.738495 12.84305 
1 1 1  -15   17   40 o  214.900   6.8431  125.919   7.8741  126.539   11.982  125.447   10.447  215.227   10.302  214.572   9.0099 0.6556244 13.68622 
1 1 1  -15   17   41 o  203.371   7.0238  112.838   7.5997  114.265   11.862  111.844   9.8976  204.260   10.747  202.482   9.0460 1.777420 14.04763 
1 1 1  -15   17   42 o  150.267   8.6596   62.453   6.9525   60.654   10.567   63.826   9.2325  148.111   13.203  152.422   11.209 -4.310623 17.31926 
1 1 1  -15   17   43 o  139.619   8.9386   53.869   6.6567   53.872   10.262   53.867   8.7467  139.370   13.626  139.868   11.573 -0.4978485 17.87721 
1 1 1  -15   17   44 f  141.174   8.6690   54.538   6.5052   58.221   10.295   52.090   8.3931  144.857   13.152  137.491   11.297 7.366257 17.33801 
1 1 1  -15   17   45 o  122.929   10.008   42.437   6.5396   41.389   10.122   43.189   8.5681  121.214   15.453  124.645   12.721 -3.430573 20.01527 
1 1 1  -15   17   46 o  203.610   7.0966  114.122   7.7461  114.339   11.713  113.953   10.327  203.541   10.649  203.678   9.3829 -0.1366730 14.19319 
1 1 1  -15   17   47 o  108.313   12.124   35.075   6.6680   28.620   10.178   39.929   8.8259   97.411   20.006  119.215   13.701 -21.80396 24.24737 
1 1 1  -15   17   48 o  199.776   7.1753  111.078   7.6544  104.586   11.542  116.174   10.227  194.134   11.002  205.419   9.2132 -11.28430 14.35055 
1 1 1  -15   17   49 f   87.753   13.551   22.667   6.1652   27.947   9.7991   19.208   7.9317   95.950   19.563   79.556   18.756 16.39422 27.10177 
1 1 1  -15   17   50 o  113.089   10.400   36.199   6.3096   39.430   9.6469   33.783   8.3411  117.236   15.228  108.943   14.169 8.293152 20.80017 
1 1 1  -15   17   51 o   66.251   15.036   13.700   6.2258   10.084   9.7130   16.221   8.1112   60.400   22.389   72.103   20.077 -11.70304 30.07273 
1 1 1  -15   17   52 o  292.924   6.3585  237.634   10.032  234.206   14.726  240.601   13.704  290.651   9.3764  295.196   8.5910 -4.544769 12.71696 
1 1 1  -15   17   53 o  129.254   9.9744   47.447   6.8997   52.722   10.691   43.682   9.0324  135.015   14.654  123.494   13.535 11.52066 19.94880 
1 1 1  -15   17   54 o   86.121   14.296   23.539   6.4911   24.354   9.9070   22.926   8.5924   86.773   21.289   85.469   19.087 1.303642 28.59230 
1 1 1  -15   17   55 o   44.363   13.722   0.2615   6.4677  -5.3589   9.9660   4.3509   8.5010   40.469   18.823   48.257   19.973 -7.788177 27.44481 
1 1 1  -15   17   56 o   65.200   17.343   13.200   8.2064   10.116   10.627   17.757   12.917   59.120   23.053   71.279   25.918 -12.15878 34.68679 
1 1 1  -15   17   57 o   57.126   17.705   4.4474   9.9563   6.4775   17.195   3.4234   12.212   61.378   26.949   52.874   22.972 8.504250 35.41083 
1 1 1  -15   17   58 o   62.149   24.541   13.957   12.173   0.0000   0.0000   13.957   12.173  ?   ?    62.149   24.541      ?      ? 
1 1 1  -15   17   59 o   60.530   16.064   12.266   7.1529   16.545   10.747   8.8628   9.5840   66.734   23.718   54.326   21.672 12.40836 32.12849 
1 1 1  -15   17   60 o   50.465   14.486   5.2505   7.0568  -6.0208   10.551   14.374   9.4925   39.091   18.547   61.840   22.257 -22.74909 28.97180 
1 1 1  -15   18    1 o  853.842   10.769  1970.81   49.595  1896.45   67.694  2056.96   72.868  836.546   14.975  871.138   15.480 -34.59161 21.53786 
1 1 1  -15   18    2 o  183.487   11.316   91.120   11.220   0.0000   0.0000   91.120   11.220  ?   ?   183.487   11.316      ?      ? 
1 1 1  -15   18    3 o  340.088   9.0725  312.838   16.673   0.0000   0.0000  312.838   16.673  ?   ?   340.088   9.0725      ?      ? 
1 1 1  -15   18    4 o  386.818   9.5308  404.764   19.922   0.0000   0.0000  404.764   19.922  ?   ?   386.818   9.5308      ?      ? 
1 1 1  -15   18    5 o  334.313   6.5556  302.346   11.840  294.734   16.717  310.009   16.773  330.086   9.3723  338.540   9.1685 -8.453979 13.11117 
1 1 1  -15   18    6 o  282.521   9.7758  215.937   14.924   0.0000   0.0000  215.937   14.924  ?   ?   282.521   9.7758      ?      ? 
1 1 1  -15   18    7 o  587.682   8.1179  934.868   25.778  924.112   36.483  945.593   36.428  584.299   11.555  591.065   11.406 -6.765808 16.23577 
1 1 1  -15   18    8 o  315.776   6.7241  269.749   11.473  269.376   16.260  270.118   16.192  315.558   9.5360  315.994   9.4826 -0.4366150 13.44820 
1 1 1  -15   18    9 o  348.392   6.7329  328.706   12.661  313.859   18.025  343.164   17.788  340.606   9.7935  356.178   9.2421 -15.57196 13.46587 
1 1 1  -15   18   10 o  278.528   7.0211  209.768   10.561  213.073   15.247  206.719   14.642  280.631   10.055  276.424   9.8024 4.206573 14.04218 
1 1 1  -15   18   11 o  456.884   7.0353  564.767   17.361  564.417   24.922  565.097   24.199  456.737   10.098  457.031   9.7986 -0.2939453 14.07051 
1 1 1  -15   18   12 o  609.725   8.2592  1005.61   27.201  979.663   37.810  1033.44   39.161  601.584   11.631  617.866   11.729 -16.28198 16.51837 
1 1 1  -15   18   13 o  504.458   7.4475  688.035   20.292  664.145   28.206  713.666   29.215  495.390   10.537  513.527   10.528 -18.13763 14.89505 
1 1 1  -15   18   14 o  553.434   7.8421  828.336   23.440  796.476   32.580  862.525   33.750  542.411   11.116  564.458   11.065 -22.04736 15.68418 
1 1 1  -15   18   15 o  405.654   6.8334  445.368   14.973  429.014   21.110  461.923   21.240  398.150   9.8119  413.159   9.5135 -15.00943 13.66676 
1 1 1  -15   18   16 o  467.772   7.1342  592.376   18.030  581.703   25.562  602.943   25.434  463.569   10.205  471.976   9.9727 -8.407166 14.26839 
1 1 1  -15   18   17 f  334.655   6.7321  303.212   12.163  299.984   17.536  306.204   16.884  332.925   9.7473  336.386   9.2884 -3.460541 13.46422 
1 1 1  -15   18   18 o  779.893   14.072  1649.29   59.305   0.0000   0.0000  1649.29   59.305  ?   ?   779.893   14.072      ?      ? 
1 1 1  -15   18   19 o  337.815   6.6404  308.788   12.116  295.378   16.995  322.647   17.277  330.351   9.5203  345.280   9.2598 -14.92923 13.28078 
1 1 1  -15   18   20 o  723.220   9.3847  1418.63   36.675  1404.91   51.683  1432.55   52.051  719.693   13.290  726.747   13.254 -7.053711 18.76931 
1 1 1  -15   18   21 o  153.790   9.4821   64.229   7.8705   60.495   11.113   67.987   11.148  149.283   13.776  158.297   13.033 -9.013504 18.96424 
1 1 1  -15   18   22 o  385.879   9.4679  403.256   19.742   0.0000   0.0000  403.256   19.742  ?   ?   385.879   9.4679      ?      ? 
1 1 1  -15   18   23 o  602.505   8.2304  984.305   26.794  966.601   37.699  1002.38   38.088  597.023   11.686  607.988   11.593 -10.96552 16.46084 
1 1 1  -15   18   24 o  201.379   9.6821  111.030   10.119  113.416   12.731  106.937   16.674  204.497   11.521  198.261   15.564 6.235809 19.36428 
1 1 1  -15   18   25 o  319.772   9.2006  275.388   15.814  256.081   21.083  300.225   23.913  307.103   12.705  332.441   13.312 -25.33755 18.40128 
1 1 1  -15   18   29 o  151.337   9.5820   61.856   7.8019   69.619   11.661   55.564   10.498  159.865   13.499  142.810   13.603 17.05418 19.16406 
1 1 1  -15   18   30 o  456.999   6.9695  567.070   17.205  563.425   24.614  570.552   24.059  455.531   9.9993  458.467   9.7114 -2.935760 13.93903 
1 1 1  -15   18   31 o  215.055   9.6892  125.613   11.260   0.0000   0.0000  125.613   11.260  ?   ?   215.055   9.6892      ?      ? 
1 1 1  -15   18   32 o  377.088   6.5905  386.443   13.416  382.624   19.351  389.977   18.617  375.244   9.5435  378.932   9.0918 -3.688202 13.18102 
1 1 1  -15   18   33 o  224.413   7.0888  136.515   8.5663  141.869   12.749  132.108   11.566  228.368   10.331  220.459   9.7089 7.908539 14.17753 
1 1 1  -15   18   34 o  213.760   7.1862  125.259   8.2289  108.135   11.770  141.634   11.509  199.243   10.932  228.278   9.3304 -29.03470 14.37237 
1 1 1  -15   18   35 o  141.335   9.1591   53.935   6.9085   67.413   10.391   43.259   9.2484  157.042   12.245  125.628   13.624 31.41373 18.31810 
1 1 1  -15   18   36 o  190.835   7.5948  100.831   7.7150   84.697   11.231  115.248   10.616  175.969   11.811  205.702   9.5508 -29.73332 15.18961 
1 1 1  -15   18   37 o  112.640   12.073   37.742   6.7387   26.357   10.243   46.430   8.9477   95.191   20.518  130.089   12.729 -34.89850 24.14557 
1 1 1  -15   18   38 o  237.097   6.7633  153.803   8.6231  147.152   12.668  159.547   11.771  232.180   10.097  242.014   9.0012 -9.834534 13.52652 
1 1 1  -15   18   39 o  177.465   7.8092   85.654   7.3913   89.846   11.526   82.725   9.6323  180.962   11.787  173.967   10.247 6.995346 15.61841 
1 1 1  -15   18   40 o  191.920   7.3839  101.301   7.6019   97.257   11.322  104.620   10.258  188.239   11.131  195.601   9.7050 -7.361908 14.76789 
1 1 1  -15   18   41 o  216.874   6.7594  128.153   7.8636  132.961   11.951  124.482   10.443  220.307   10.039  213.441   9.0542 6.865997 13.51872 
1 1 1  -15   18   42 o  146.897   9.2826   62.196   7.0569   46.964   10.676   74.015   9.4045  129.638   15.240  164.155   10.602 -34.51698 18.56515 
1 1 1  -15   18   43 o  198.639   7.3691  107.870   7.8329  113.091   12.056  104.056   10.304  202.569   11.014  194.710   9.7933 7.859497 14.73817 
1 1 1  -15   18   44 o   70.978   15.105   14.656   6.2076   17.790   9.6935   12.477   8.0822   76.637   22.155   65.319   20.538 11.31788 30.21040 
1 1 1  -15   18   45 o  133.743   10.059   53.036   6.8294   36.329   10.306   66.116   9.1191  112.847   16.901  154.640   10.913 -41.79281 20.11774 
1 1 1  -15   18   46 o   68.782   14.956   14.334   6.1953   11.277   9.1988   16.872   8.3810   63.135   21.984   74.430   20.284 -11.29474 29.91201 
1 1 1  -15   18   47 o  219.952   6.9669  132.975   8.1915  137.772   12.629  129.492   10.763  223.049   10.478  216.855   9.1846 6.194458 13.93376 
1 1 1  -15   18   48 o   72.140   15.197   16.357   6.4415   12.956   10.140   18.658   8.3406   66.347   23.082   77.933   19.774 -11.58569 30.39380 
1 1 1  -15   18   49 o  324.028   6.3867  290.072   11.146  288.826   16.416  291.138   15.182  323.087   9.4029  324.969   8.6454 -1.882172 12.77332 
1 1 1  -15   18   50 o  111.817   11.826   38.381   6.6124   29.674   10.156   44.787   8.7116   97.911   19.875  125.724   12.823 -27.81273 23.65288 
1 1 1  -15   18   51 o  102.615   12.750   30.255   6.6636   53.226   10.524   14.883   8.6092  136.273   14.292   68.957   21.118 67.31661 25.50003 
1 1 1  -15   18   52 o   52.936   14.832   5.7002   6.3371   10.095   9.7422   2.4767   8.3436   59.766   22.370   46.106   19.481 13.65941 29.66345 
1 1 1  -15   18   53 o  136.159   9.6947   54.012   7.0184   49.037   10.569   57.936   9.3867  129.585   15.094  142.733   12.170 -13.14821 19.38934 
1 1 1  -15   18   54 o   80.333   14.399   19.847   6.7495   34.611   10.514   9.4982   8.8028  103.968   19.429   56.699   21.256 47.26906 28.79744 
1 1 1  -15   18   55 o   81.524   19.109   22.762   10.498   37.568   15.870   11.241   13.999   99.931   28.174   63.116   25.823 36.81454 38.21780 
1 1 1  -15   18   56 o  152.659   15.772   79.105   11.377   65.023   19.400   86.486   14.045  134.398   27.636  170.920   15.207 -36.52277 31.54354 
1 1 1  -15   18   57 o   48.566   21.473   3.4369   11.097   0.0000   0.0000   3.4369   11.097  ?   ?    48.566   21.473      ?      ? 
1 1 1  -15   18   58 o  138.480   10.864   60.833   7.6827   49.704   12.161   68.224   9.9108  124.322   18.103  152.637   12.016 -28.31583 21.72778 
1 1 1  -15   18   59 o   61.116   16.020   14.121   7.0069   13.808   10.852   14.344   9.1764   60.377   23.364   61.854   21.923 -1.477219 32.03939 
1 1 1  -15   19    1 o  380.281   9.1624  384.158   17.272  373.270   20.524  410.586   31.976  371.402   10.227  389.159   15.206 -17.75635 18.32489 
1 1 1  -15   19    2 o  200.226   8.1552  108.560   8.7691  125.084   12.624   93.151   12.190  214.976   10.867  185.476   12.163 29.50014 16.31043 
1 1 1  -15   19    3 o  349.547   6.9189  330.716   13.063  324.642   18.632  336.590   18.321  346.380   9.9542  352.714   9.6124 -6.334320 13.83785 
1 1 1  -15   19    4 o  626.064   8.5086  1058.09   28.729  1011.66   39.170  1112.15   42.265  611.264   11.859  640.864   12.205 -29.59943 17.01720 
1 1 1  -15   19    5 o  475.725   7.3543  612.659   18.900  600.528   26.863  624.550   26.595  471.048   10.554  480.401   10.245 -9.352661 14.70855 
1 1 1  -15   19    6 o  443.719   7.1042  530.753   16.996  502.429   23.118  564.070   25.073  430.893   9.9288  456.544   10.163 -25.65063 14.20837 
1 1 1  -15   19    7 o  514.511   7.5562  716.583   21.007  714.466   29.797  718.676   29.622  513.751   10.733  515.271   10.639 -1.519897 15.11243 
1 1 1  -15   19    8 o  446.907   7.0831  540.532   17.102  525.904   24.098  555.374   24.273  440.808   10.117  453.005   9.9160 -12.19769 14.16612 
1 1 1  -15   19   10 o  549.368   10.933  817.173   32.454   0.0000   0.0000  817.173   32.454  ?   ?   549.368   10.933      ?      ? 
1 1 1  -15   19   11 o  380.104   6.7871  391.139   13.934  378.361   19.726  403.867   19.687  373.894   9.7632  386.313   9.4307 -12.41910 13.57418 
1 1 1  -15   19   12 o  607.618   11.620  999.953   38.152   0.0000   0.0000  999.953   38.152  ?   ?   607.618   11.620      ?      ? 
1 1 1  -15   19   13 o  249.030   7.0562  167.719   9.4874  171.104   13.755  164.647   13.103  251.419   10.124  246.642   9.8317 4.776764 14.11248 
1 1 1  -15   19   14 o  1082.55   18.805  3187.24  110.002   0.0000   0.0000  3187.24  110.002  ?   ?   1082.55   18.805      ?      ? 
1 1 1  -15   19   15 o  372.152   6.8989  374.636   13.862  353.808   19.347  396.609   19.871  361.519   9.9037  382.784   9.6070 -21.26495 13.79772 
1 1 1  -15   19   16 f  771.144   13.943  1613.54   58.102   0.0000   0.0000  1613.54   58.102  ?   ?   771.144   13.943      ?      ? 
1 1 1  -15   19   17 o  344.991   6.7523  322.253   12.585  313.526   17.713  331.148   17.884  340.268   9.6337  349.713   9.4639 -9.445618 13.50455 
1 1 1  -15   19   18 o  231.888   7.5917  145.854   9.4981  142.867   13.736  148.590   13.148  229.589   11.072  234.187   10.390 -4.597580 15.18342 
1 1 1  -15   19   19 o  418.024   7.0075  472.914   15.812  482.505   22.990  464.305   21.782  422.024   10.081  414.025   9.7360 7.998413 14.01508 
1 1 1  -15   19   20 o  157.969   9.8389   67.784   8.3952   70.313   11.918   65.293   11.828  160.906   13.707  155.032   14.118 5.874725 19.67787 
1 1 1  -15   19   21 o  323.911   8.2179  283.260   13.734  280.213   17.011  288.964   23.274  321.602   9.7886  326.219   13.203 -4.616669 16.43572 
1 1 1  -15   19   22 o  423.647   9.5509  487.029   21.846  473.649   30.159  501.802   31.689  417.557   13.366  429.738   13.646 -12.18100 19.10181 
1 1 1  -15   19   23 o  145.809   13.302   58.874   10.341   65.653   14.122   51.036   15.185  155.146   16.845  136.471   20.591 18.67471 26.60362 
1 1 1  -15   19   24 o  230.056   15.091  144.212   18.760   0.0000   0.0000  144.212   18.760  ?   ?   230.056   15.091      ?      ? 
1 1 1  -15   19   26 o  310.699   10.655  264.433   17.047  259.910   28.725  266.892   21.181  308.168   17.250  313.230   12.514 -5.061768 21.31072 
1 1 1  -15   19   27 o  387.516   6.7255  407.577   14.078  396.398   19.958  418.648   19.861  382.199   9.6636  392.833   9.3564 -10.63339 13.45093 
1 1 1  -15   19   28 o  353.068   6.6281  338.582   12.622  313.345   17.776  364.243   17.925  339.736   9.6830  366.401   9.0536 -26.66522 13.25626 
1 1 1  -15   19   29 o  321.908   6.5989  281.534   11.473  274.206   16.333  288.671   16.119  317.740   9.5130  326.077   9.1481 -8.336975 13.19788 
1 1 1  -15   19   30 f  267.772   6.6989  195.044   9.6786  183.204   13.707  206.815   13.668  259.611   9.7711  275.933   9.1667 -16.32196 13.39790 
1 1 1  -15   19   31 o  292.840   6.6200  233.314   10.440  228.928   15.331  237.107   14.256  290.196   9.7768  295.483   8.9282 -5.287964 13.24002 
1 1 1  -15   19   32 f  328.302   6.5759  293.171   11.629  289.931   17.084  295.969   15.875  326.528   9.6825  330.075   8.9004 -3.546661 13.15177 
1 1 1  -15   19   33 o  227.831   9.7551  141.284   12.010   0.0000   0.0000  141.284   12.010  ?   ?   227.831   9.7551      ?      ? 
1 1 1  -15   19   34 o  300.865   8.7223  246.204   14.181   0.0000   0.0000  246.204   14.181  ?   ?   300.865   8.7223      ?      ? 
1 1 1  -15   19   35 o   79.465   14.569   18.942   6.5293   11.910   9.8990   24.358   8.6871   66.879   22.827   92.051   18.110 -25.17199 29.13786 
1 1 1  -15   19   36 o  153.728   8.8257   65.338   7.2703   57.221   10.460   72.924   10.112  144.236   13.420  163.219   11.466 -18.98286 17.65136 
1 1 1  -15   19   37 o  179.729   8.2333   91.146   7.7555   70.951   11.495  108.020   10.507  160.533   13.251  198.925   9.7749 -38.39183 16.46659 
1 1 1  -15   19   38 o  287.437   8.5172  215.167   11.538  252.477   23.626  203.482   13.222  301.796   14.487  273.078   8.9602 28.71783 17.03432 
1 1 1  -15   19   39 o  211.257   7.2175  122.783   8.1686  118.102   12.246  126.536   10.964  207.399   10.927  215.115   9.4324 -7.715698 14.43493 
1 1 1  -15   19   40 o  177.163   7.8443   86.126   7.4330   87.550   11.389   85.069   9.8105  178.226   11.826  176.099   10.310 2.126419 15.68869 
1 1 1  -15   19   41 o  223.173   7.1524  139.372   8.4526  115.578   12.477  159.552   11.491  204.799   11.275  241.547   8.8037 -36.74803 14.30477 
1 1 1  -15   19   42 f  104.845   12.362   30.215   6.5604   48.210   10.455   18.526   8.4257  131.061   14.762   78.629   19.833 52.43263 24.72374 
1 1 1  -15   19   43 o  172.616   8.1240   83.066   7.5049   77.567   11.180   87.575   10.125  167.041   12.386  178.191   10.515 -11.14992 16.24798 
1 1 1  -15   19   44 o  156.540   8.7215   67.899   7.3283   71.768   11.135   64.942   9.7335  160.242   12.859  152.839   11.785 7.402771 17.44301 
1 1 1  -15   19   45 o  247.861   6.7926  168.674   8.9791  173.861   13.950  165.006   11.732  250.729   10.297  244.993   8.8623 5.735321 13.58529 
1 1 1  -15   19   46 o  121.457   11.031   43.520   6.9601   34.546   10.605   50.311   9.2248  108.993   18.006  133.921   12.747 -24.92800 22.06172 
1 1 1  -15   19   47 o  235.286   6.8653  152.315   8.6524  160.038   13.263  146.593   11.416  240.142   10.221  230.429   9.1683 9.713577 13.73066 
1 1 1  -15   19   48 o  146.694   8.8369   59.400   6.9257   70.057   10.824   52.012   9.0122  157.487   12.719  135.902   12.272 21.58493 17.67387 
1 1 1  -15   19   49 o   85.575   14.150   22.449   6.3894   26.673   9.8181   19.345   8.4153   92.461   20.215   78.689   19.806 13.77184 28.29995 
1 1 1  -15   19   50 o  153.169   8.7056   65.439   7.1371   72.589   11.053   60.326   9.3469  159.986   12.785  146.353   11.819 13.63388 17.41127 
1 1 1  -15   19   51 o   99.105   13.043   30.194   6.7206   28.966   10.349   31.090   8.8377   95.358   20.680  102.852   15.902 -7.493912 26.08660 
1 1 1  -15   19   52 o   66.315   15.486   14.240   6.6409   9.8942   10.311   17.321   8.6815   59.516   22.843   73.115   20.917 -13.59905 30.97283 
1 1 1  -15   19   53 o   41.882   13.541  -2.7898   6.8155  -3.7632   10.392  -2.0550   9.0285   42.493   19.573   41.272   18.717 1.220284 27.08167 
1 1 1  -15   19   54 o   46.697   22.361 -12.9279   16.084 -12.9279   16.084   0.0000   0.0000   46.697   22.361  ?   ?       ?      ? 
1 1 1  -15   19   55 o   92.131   30.661   34.279   17.861   34.279   17.861   0.0000   0.0000   92.131   30.661  ?   ?       ?      ? 
1 1 1  -15   19   56 o   69.467   18.598   20.453   9.5214   20.268   15.405   20.568   12.112   68.186   27.381   70.748   25.175 -2.562141 37.19543 
1 1 1  -15   19   57 o   54.115   14.924   7.5234   7.1123  -2.8155   10.913   15.158   9.3776   43.126   19.932   65.104   22.217 -21.97807 29.84823 
1 1 1  -15   19   58 o   67.919   15.401   17.975   7.1149   9.0213   10.714   25.038   9.5160   53.487   22.303   82.351   21.244 -28.86346 30.80180 
1 1 1  -15   20    2 o  455.112   9.4222  554.693   21.844  541.714   26.607  581.531   38.261  447.276   11.008  462.947   15.295 -15.67099 18.84433 
1 1 1  -15   20    3 o  732.663   13.553  1455.20   53.656   0.0000   0.0000  1455.20   53.656  ?   ?   732.663   13.553      ?      ? 
1 1 1  -15   20    4 o  478.601   10.419  620.113   26.947   0.0000   0.0000  620.113   26.947  ?   ?   478.601   10.419      ?      ? 
1 1 1  -15   20    5 o  414.697   10.026  465.511   22.467   0.0000   0.0000  465.511   22.467  ?   ?   414.697   10.026      ?      ? 
1 1 1  -15   20    6 o  342.795   9.6507  318.043   17.876   0.0000   0.0000  318.043   17.876  ?   ?   342.795   9.6507      ?      ? 
1 1 1  -15   20    7 o  324.354   6.7930  284.639   11.902  289.083   17.089  280.452   16.587  326.807   9.6770  321.900   9.5359 4.907013 13.58597 
1 1 1  -15   20    9 o  272.932   7.0515  202.001   10.378  187.688   14.715  216.169   14.640  263.275   10.343  282.589   9.5870 -19.31445 14.10298 
1 1 1  -15   20   11 o  650.803   8.7554  1147.74   30.781  1116.91   42.911  1180.41   44.178  641.808   12.373  659.797   12.391 -17.98889 17.51081 
1 1 1  -15   20   12 o  287.722   9.8019  224.199   15.239   0.0000   0.0000  224.199   15.239  ?   ?   287.722   9.8019      ?      ? 
1 1 1  -15   20   13 o  594.133   11.529  956.984   37.014   0.0000   0.0000  956.984   37.014  ?   ?   594.133   11.529      ?      ? 
1 1 1  -15   20   14 o  460.306   10.163  574.022   25.278   0.0000   0.0000  574.022   25.278  ?   ?   460.306   10.163      ?      ? 
1 1 1  -15   20   15 o  106.722   14.419   31.892   8.0999   38.276   11.524   25.657   11.387  118.511   17.995   94.933   22.536 23.57763 28.83849 
1 1 1  -15   20   16 o  277.304   12.886  208.716   19.309   0.0000   0.0000  208.716   19.309  ?   ?   277.304   12.886      ?      ? 
1 1 1  -15   20   17 o  297.775   8.9867  239.458   14.409  227.027   19.406  254.730   21.509  289.238   12.417  306.313   12.995 -17.07507 17.97335 
1 1 1  -15   20   18 o  320.758   9.0303  278.019   15.614  256.081   21.281  303.604   22.982  307.109   12.823  334.407   12.718 -27.29752 18.06066 
1 1 1  -15   20   19 o  523.508   10.556  745.251   29.848  730.405   41.437  761.261   43.032  518.125   14.800  528.891   15.057 -10.76642 21.11296 
1 1 1  -15   20   20 o  274.619   9.2440  204.861   13.705  202.342   18.931  207.635   19.867  272.876   12.839  276.363   13.303 -3.487488 18.48799 
1 1 1  -15   20   21 o   66.324   18.404   7.3477   9.6756   9.9820   12.848   3.8964   14.706   68.633   25.689   64.015   26.360 4.618881 36.80745 
1 1 1  -15   20   22 o  193.483   16.665  102.297   17.423   0.0000   0.0000  102.297   17.423  ?   ?   193.483   16.665      ?      ? 
1 1 1  -15   20   23 o  336.061   10.117  309.003   18.095  300.901   27.928  314.865   23.757  331.978   15.568  340.145   12.925 -8.166595 20.23442 
1 1 1  -15   20   24 o   67.041   18.497  -3.3028   10.719   22.088   17.962 -17.3446   13.358   90.985   30.750   43.097   20.566 47.88763 36.99377 
1 1 1  -15   20   25 o  159.176   9.3007   68.982   7.9831   70.020   11.711   68.081   10.911  160.254   13.524  158.097   12.772 2.156265 18.60138 
1 1 1  -15   20   26 o  203.364   7.5706  112.712   8.2949  108.235   12.053  116.740   11.433  199.461   11.183  207.268   10.208 -7.807480 15.14126 
1 1 1  -15   20   27 o  110.299   12.778   34.156   7.4037   32.079   10.818   35.985   10.154  106.139   19.584  114.458   16.417 -8.319336 25.55516 
1 1 1  -15   20   28 o  321.840   6.6335  281.630   11.522  277.177   16.644  285.728   15.966  319.344   9.6449  324.336   9.1097 -4.992157 13.26693 
1 1 1  -15   20   29 o  116.066   12.013   36.965   7.4986   42.247   10.918   32.249   10.316  123.976   16.298  108.157   17.652 15.81840 24.02501 
1 1 1  -15   20   30 f  132.249   13.945   47.911   9.9655   0.0000   0.0000   47.911   9.9655  ?   ?   132.249   13.945      ?      ? 
1 1 1  -15   20   31 o  334.083   6.5842  303.933   11.868  283.989   16.766  323.960   16.801  323.015   9.6054  345.151   9.0080 -22.13657 13.16845 
1 1 1  -15   20   32 o  126.307   10.913   43.205   7.3387   55.160   11.166   34.113   9.7371  141.545   14.599  111.069   16.224 30.47571 21.82505 
1 1 1  -15   20   33 o  263.000   9.4815  188.479   13.475   0.0000   0.0000  188.479   13.475  ?   ?   263.000   9.4815      ?      ? 
1 1 1  -15   20   34 o  395.197   6.6861  426.083   14.263  417.299   20.523  434.288   19.836  391.159   9.7096  399.235   9.1945 -8.075928 13.37222 
1 1 1  -15   20   35 o  246.373   7.0838  168.165   9.2913  144.607   13.680  188.335   12.659  229.850   11.015  262.897   8.9108 -33.04692 14.16762 
1 1 1  -15   20   36 o  359.213   6.5753  352.746   12.745  341.461   18.321  363.330   17.742  353.519   9.5906  364.907   8.9978 -11.38837 13.15062 
1 1 1  -15   20   37 o  153.563   8.7685   65.485   7.2075   60.983   10.721   69.198   9.7358  148.462   13.364  158.665   11.355 -10.20341 17.53706 
1 1 1  -15   20   38 o  223.487   9.4448  136.660   11.406   0.0000   0.0000  136.660   11.406  ?   ?   223.487   9.4448      ?      ? 
1 1 1  -15   20   39 o  127.782   10.334   45.948   7.0000   43.281   10.816   47.870   9.1827  124.124   16.125  131.440   12.929 -7.315170 20.66810 
1 1 1  -15   20   40 f  203.402   7.4029  113.788   8.0809  114.774   12.179  113.014   10.801  203.973   11.050  202.831   9.8543 1.142014 14.80582 
1 1 1  -15   20   41 o  136.245   9.4307   50.205   6.8296   64.441   10.741   40.542   8.8489  152.043   13.073  120.446   13.596 31.59678 18.86136 
1 1 1  -15   20   42 o  129.941   9.9875   46.604   6.9470   53.889   10.755   41.389   9.1000  138.412   14.380  121.470   13.864 16.94211 19.97492 
1 1 1  -15   20   43 o   94.201   13.238   29.007   6.9704   8.1368   10.218   47.174   9.5329   58.885   22.704  129.517   13.621 -70.63205 26.47638 
1 1 1  -15   20   44 o  126.526   10.477   45.651   7.0485   43.884   10.843   46.944   9.2759  123.804   16.207  129.249   13.281 -5.444435 20.95392 
1 1 1  -15   20   45 o   49.426   13.675  -2.7099   6.2961   14.030   9.9633 -13.8391   8.1238   68.236   22.903   30.617   14.949 37.61912 27.34985 
1 1 1  -15   20   46 o  116.242   12.345   41.337   7.2117   30.725   10.751   50.019   9.7242   99.670   20.640  132.814   13.549 -33.14414 24.69035 
1 1 1  -15   20   47 o  133.936   9.9368   50.999   7.0356   52.593   11.223   49.968   9.0306  134.919   15.393  132.953   12.570 1.965668 19.87356 
1 1 1  -15   20   48 o   95.023   13.775   30.897   6.9505   14.258   10.871   42.402   9.0394   68.136   23.889  121.911   13.722 -53.77570 27.54903 
1 1 1  -15   20   49 o   68.158   14.170   14.300   6.5602   2.2004   9.9116   23.732   8.7515   48.910   20.967   87.406   19.066 -38.49535 28.33959 
1 1 1  -15   20   50 o  123.119   11.971   47.247   7.3279   35.388   11.152   56.257   9.7210  105.939   20.219  140.300   12.822 -34.36099 23.94176 
1 1 1  -15   20   51 o   94.798   13.662   28.523   6.7455   26.614   10.566   29.837   8.7638   89.565   21.993  100.031   16.213 -10.46548 27.32316 
1 1 1  -15   20   52 o   91.573   14.305   29.269   7.1820   16.871   11.019   38.425   9.4698   69.787   24.074  113.360   15.459 -43.57332 28.61031 
1 1 1  -15   20   53 o   56.276   25.690  -0.3856   17.370  -0.3856   17.370   0.0000   0.0000   56.276   25.690  ?   ?       ?      ? 
1 1 1  -15   20   54 o   44.833   21.809 -17.8266   16.841 -17.8266   16.841   0.0000   0.0000   44.833   21.809  ?   ?       ?      ? 
1 1 1  -15   20   55 o   96.932   16.777   33.866   8.1546   42.410   15.005   30.285   9.7144  100.659   27.020   93.206   19.893 7.452797 33.55328 
1 1 1  -15   20   56 o   76.927   21.425   21.051   9.2357   0.0000   0.0000   21.051   9.2357  ?   ?    76.927   21.425      ?      ? 
1 1 1  -15   20   57 o  124.599   11.470   49.782   7.6542   52.698   11.719   47.613   10.108  126.588   17.132  122.610   15.257 3.977180 22.94061 
1 1 1  -15   21    1 o  270.771   10.847  216.559   13.506  165.473   25.651  236.151   15.886  246.283   19.275  295.259   9.9566 -48.97632 21.69442 
1 1 1  -15   21    2 o  436.788   15.478  518.694   36.532   0.0000   0.0000  518.694   36.532  ?   ?   436.788   15.478      ?      ? 
1 1 1  -15   21    3 o  418.103   15.364  475.225   34.713   0.0000   0.0000  475.225   34.713  ?   ?   418.103   15.364      ?      ? 
1 1 1  -15   21    4 o  179.627   8.8593   87.275   8.5006  106.571   12.438   70.363   11.645  198.255   11.610  160.999   13.385 37.25549 17.71853 
1 1 1  -15   21    5 o  344.980   6.8973  321.809   12.841  299.752   17.794  345.778   18.549  332.653   9.8990  357.308   9.6072 -24.65451 13.79454 
1 1 1  -15   21    6 o  248.502   10.170  167.304   13.656  167.304   13.656   0.0000   0.0000  248.502   10.170  ?   ?       ?      ? 
1 1 1  -15   21    7 o  473.773   10.390  608.203   26.600   0.0000   0.0000  608.203   26.600  ?   ?   473.773   10.390      ?      ? 
1 1 1  -15   21    8 o  172.578   9.0935   81.044   8.4348   91.255   11.986   71.029   11.871  183.419   12.094  161.737   13.583 21.68173 18.18698 
1 1 1  -15   21    9 o  173.318   15.441   81.689   14.461   0.0000   0.0000   81.689   14.461  ?   ?   173.318   15.441      ?      ? 
1 1 1  -15   21   10 o  251.384   8.2044  168.496   10.792  160.445   13.512  182.680   17.934  243.331   10.276  259.436   12.793 -16.10524 16.40886 
1 1 1  -15   21   11 o  338.876   8.9028  311.398   16.293  304.279   22.570  319.144   23.543  334.849   12.474  342.903   12.706 -8.053314 17.80553 
1 1 1  -15   21   12 o  342.944   8.9640  319.223   16.608  317.793   23.224  320.721   23.760  342.173   12.560  343.716   12.793 -1.543243 17.92798 
1 1 1  -15   21   13 o  249.960   9.3748  169.716   12.659  170.135   17.716  169.279   18.096  250.291   13.099  249.629   13.415 0.6618500 18.74961 
1 1 1  -15   21   14 o  129.301   14.626   46.694   9.8888   53.919   14.013   39.527   13.957  140.512   18.456  118.090   22.696 22.42205 29.25298 
1 1 1  -15   21   15 o  296.485   9.1276  238.926   14.617  243.243   20.497  234.459   20.850  299.241   12.676  293.730   13.136 5.511017 18.25517 
1 1 1  -15   21   16 o  445.154   9.5907  538.876   23.066  535.135   32.253  542.793   32.999  443.596   13.455  446.712   13.671 -3.115784 19.18148 
1 1 1  -15   21   17 o  321.261   8.1955  274.333   13.639  300.901   23.272  260.435   16.832  332.651   12.947  309.870   10.052 22.78131 16.39096 
1 1 1  -15   21   18 o   43.408   14.120 -11.4425   7.7719  -1.3327   11.823 -19.1343   10.313   52.341   22.672   34.476   16.836 17.86504 28.23914 
1 1 1  -15   21   19 o  470.780   10.157  601.456   25.838   0.0000   0.0000  601.456   25.838  ?   ?   470.780   10.157      ?      ? 
1 1 1  -15   21   20 o  291.045   10.758  234.307   16.682  196.914   24.186  268.243   23.041  268.296   16.682  313.793   13.588 -45.49692 21.51604 
1 1 1  -15   21   21 o  338.960   10.408  314.899   18.938  300.901   28.081  326.577   25.648  331.795   15.662  346.126   13.713 -14.33139 20.81699 
1 1 1  -15   21   22 o  265.400   11.549  196.302   15.846  180.405   25.959  205.743   20.005  256.116   18.757  274.684   13.478 -18.56760 23.09730 
1 1 1  -15   21   23 o  110.856   13.233   34.712   7.6637   30.379   11.135   38.612   10.564  103.067   20.712  118.646   16.477 -15.57891 26.46632 
1 1 1  -15   21   24 o  296.487   6.8801  239.045   11.006  222.990   15.509  255.334   15.621  286.399   10.021  306.575   9.4295 -20.17606 13.76023 
1 1 1  -15   21   25 o  237.292   7.3953  153.603   9.4193  149.475   14.053  156.970   12.693  234.286   11.100  240.299   9.7749 -6.013626 14.79062 
1 1 1  -15   21   26 o  250.171   7.0900  170.115   9.5780  172.207   13.838  168.192   13.270  251.622   10.178  248.721   9.8736 2.901611 14.18002 
1 1 1  -15   21   27 o   46.358   14.276  -1.8464   6.7872   1.3319   9.6257  -4.9889   9.5715   50.033   21.021   42.683   19.322 7.350662 28.55169 
1 1 1  -15   21   28 o  256.297   9.5861  178.719   13.276   0.0000   0.0000  178.719   13.276  ?   ?   256.297   9.5861      ?      ? 
1 1 1  -15   21   29 o  241.390   7.1455  158.577   9.2962  161.726   13.707  155.896   12.650  243.541   10.415  239.239   9.7856 4.302200 14.29109 
1 1 1  -15   21   30 o  333.189   6.6308  302.688   11.924  287.240   16.933  317.883   16.794  324.668   9.6516  341.710   9.0949 -17.04184 13.26167 
1 1 1  -15   21   31 o  171.884   12.057   80.944   11.199   0.0000   0.0000   80.944   11.199  ?   ?   171.884   12.057      ?      ? 
1 1 1  -15   21   32 o  153.440   9.3372   64.466   7.7245   70.400   11.332   59.315   10.557  160.028   13.105  146.852   13.304 13.17641 18.67435 
1 1 1  -15   21   33 o  366.161   9.1749  365.600   18.154   0.0000   0.0000  365.600   18.154  ?   ?   366.161   9.1749      ?      ? 
1 1 1  -15   21   34 o  264.569   6.6961  191.294   9.5628  189.675   13.814  192.785   13.251  263.420   9.7048  265.718   9.2288 -2.298218 13.39226 
1 1 1  -15   21   35 o  209.940   7.3858  120.901   8.3045  120.351   12.590  121.325   11.049  209.310   11.131  210.570   9.7108 -1.260071 14.77151 
1 1 1  -15   21   36 o  157.410   8.7092   68.576   7.3387   66.938   11.085   69.854   9.7920  155.487   13.193  159.333   11.373 -3.845444 17.41843 
1 1 1  -15   21   37 o  157.396   9.2985   70.919   7.6337   53.702   11.298   85.380   10.355  138.604   15.085  176.188   10.876 -37.58340 18.59704 
1 1 1  -15   21   38 o  192.718   7.7109  102.882   7.9347   98.761   12.045  106.041   10.546  188.966   11.796  196.469   9.9337 -7.502975 15.42190 
1 1 1  -15   21   39 o  138.415   9.8871   52.948   7.3068   58.033   11.424   49.427   9.5055  143.708   14.711  133.122   13.214 10.58679 19.77414 
1 1 1  -15   21   40 f  137.710   10.085   55.710   7.1309   40.608   10.793   67.410   9.4998  119.383   16.730  156.037   11.267 -36.65363 20.17022 
1 1 1  -15   21   41 o  140.906   9.7151   55.781   7.3419   56.324   11.093   55.358   9.7941  141.182   14.540  140.629   12.888 0.5529327 19.43026 
1 1 1  -15   21   42 o   95.300   14.085   27.223   6.9842   30.399   10.576   24.767   9.3009  100.138   20.240   90.461   19.594 9.677376 28.17095 
1 1 1  -15   21   43 o  190.749   7.8210  101.440   7.9854   99.393   12.074  103.032   10.646  188.632   11.846  192.866   10.215 -4.233536 15.64201 
1 1 1  -15   21   44 o  106.608   16.092   32.797   9.2699   0.0000   0.0000   32.797   9.2699  ?   ?   106.608   16.092      ?      ? 
1 1 1  -15   21   45 o  117.917   12.501   43.451   7.2597   31.101   11.153   52.531   9.5628   99.612   21.361  136.222   12.991 -36.60984 25.00167 
1 1 1  -15   21   46 o   51.065   14.887   3.6207   6.6206   7.9228   10.320   0.6114   8.6310   57.528   22.634   44.603   19.345 12.92466 29.77466 
1 1 1  -15   21   47 o  142.111   9.7123   56.688   7.3664   64.047   11.569   51.670   9.5530  149.394   14.331  134.829   13.112 14.56499 19.42460 
1 1 1  -15   21   48 o   83.788   14.832   23.235   6.8051   17.647   10.400   27.419   8.9992   73.307   23.326   94.269   18.326 -20.96239 29.66408 
1 1 1  -15   21   49 o  189.069   8.1849  103.249   8.1392   89.550   12.472  113.409   10.742  176.741   13.060  201.397   9.8702 -24.65633 16.36989 
1 1 1  -15   21   50 f   50.208   14.954   4.4590   6.9111   2.2625   10.848   5.9597   8.9663   49.270   21.524   51.147   20.765 -1.876835 29.90800 
1 1 1  -15   21   51 o   67.474   18.611   14.904   9.5997   12.068   17.221   16.182   11.563   65.990   27.941   68.958   24.592 -2.968010 37.22156 
1 1 1  -15   21   52 o  127.268   17.775   63.803   11.611   31.622   19.102   82.658   14.622   88.397   31.599  166.139   16.287 -77.74265 35.54927 
1 1 1  -15   21   53 o   49.610   23.849  -9.7455   18.698  -9.7455   18.698   0.0000   0.0000   49.610   23.849  ?   ?       ?      ? 
1 1 1  -15   21   54 o  164.212   11.389   82.824   8.9772   87.950   17.119   80.879   10.543  162.339   19.514  166.084   11.748 -3.744736 22.77771 
1 1 1  -15   21   55 o   56.657   15.931   10.607   7.2351   10.371   11.447   10.764   9.3362   56.781   23.305   56.534   21.728 0.2467384 31.86205 
1 1 1  -15   22    1 o  301.274   12.237  246.396   19.921   0.0000   0.0000  246.396   19.921  ?   ?   301.274   12.237      ?      ? 
1 1 1  -15   22    2 o  338.975   12.301  311.937   22.532   0.0000   0.0000  311.937   22.532  ?   ?   338.975   12.301      ?      ? 
1 1 1  -15   22    3 o  468.170   13.702  595.721   34.664  595.721   34.664   0.0000   0.0000  468.170   13.702  ?   ?       ?      ? 
1 1 1  -15   22    4 o  455.357   13.556  563.513   33.356  563.513   33.356   0.0000   0.0000  455.357   13.556  ?   ?       ?      ? 
1 1 1  -15   22    5 o  352.549   8.7685  337.500   16.703  341.892   23.622  333.108   23.622  354.854   12.319  350.244   12.481 4.610779 17.53695 
1 1 1  -15   22    6 o   97.254   16.883   26.763   8.8510   21.782   12.065   32.568   13.024   87.661   24.514  106.847   23.221 -19.18596 33.76577 
1 1 1  -15   22    7 o  426.908   9.3912  495.054   21.654  486.261   30.086  504.504   31.192  423.000   13.162  430.816   13.399 -7.816498 18.78233 
1 1 1  -15   22    8 f  458.219   9.7316  570.793   24.088  562.612   33.542  579.505   34.614  454.856   13.647  461.583   13.877 -6.727112 19.46311 
1 1 1  -15   22    9 o  490.729   10.033  654.106   26.560  634.910   36.337  676.126   38.919  483.079   13.920  498.378   14.451 -15.29929 20.06533 
1 1 1  -15   22   10 o  155.045   12.299   66.603   10.042   84.347   14.292   49.302   14.113  175.949   15.032  134.141   19.470 41.80840 24.59793 
1 1 1  -15   22   11 o  293.584   7.9499  232.830   12.218  238.739   20.038  229.333   15.416  296.364   12.513  290.804   9.8102 5.560486 15.89987 
1 1 1  -15   22   12 o  191.515   8.9841   99.826   9.2885   95.479   13.201  104.089   13.072  187.349   13.040  195.681   12.362 -8.332367 17.96829 
1 1 1  -15   22   13 o  155.928   10.152   66.395   8.4783   55.536   11.821   77.897   12.166  142.677   15.333  169.178   13.308 -26.50087 20.30312 
1 1 1  -15   22   14 o  285.710   7.0564  220.721   10.845  229.280   16.245  213.839   14.567  290.645   10.344  280.776   9.6010 9.868988 14.11277 
1 1 1  -15   22   15 o  589.027   11.559  942.957   36.792   0.0000   0.0000  942.957   36.792  ?   ?   589.027   11.559      ?      ? 
1 1 1  -15   22   16 o  239.514   7.6214  156.003   9.8519  148.387   14.013  163.446   13.854  233.689   11.097  245.339   10.450 -11.64989 15.24271 
1 1 1  -15   22   17 o  372.273   9.5270  379.820   16.921  373.198   32.659  382.250   19.784  369.272   16.367  375.273   9.7560 -6.001556 19.05408 
1 1 1  -15   22   18 o  315.635   11.021  272.717   18.342  271.622   29.290  273.423   23.527  314.683   17.225  316.586   13.753 -1.903534 22.04169 
1 1 1  -15   22   19 o  102.626   22.293   30.728   13.556   24.459   22.109   34.505   17.160   96.651   34.054  108.601   28.779 -11.95043 44.58628 
1 1 1  -15   22   20 o  347.109   13.402  329.054   25.137   0.0000   0.0000  329.054   25.137  ?   ?   347.109   13.402      ?      ? 
1 1 1  -15   22   21 o   75.934   16.604   15.922   7.5960   19.841   10.962   12.302   10.535   83.075   23.414   68.792   23.549 14.28345 33.20761 
1 1 1  -15   22   22 o  424.952   7.0524  491.030   16.193  485.268   22.901  496.792   22.901  422.442   10.032  427.461   9.9144 -5.018616 14.10476 
1 1 1  -15   22   23 o   60.500   16.249   7.5154   7.3280   7.1723   10.533   7.8373   10.202   60.256   23.097   60.743   22.861 -0.4861565 32.49755 
1 1 1  -15   22   24 o  332.433   6.7893  299.979   12.178  277.996   16.875  323.871   17.592  319.708   9.7677  345.157   9.4323 -25.44916 13.57851 
1 1 1  -15   22   25 o  226.269   7.4801  138.923   9.1203  147.141   13.528  132.075   12.349  232.342   10.775  220.195   10.378 12.14619 14.96014 
1 1 1  -15   22   26 o  336.638   6.8145  308.605   12.393  307.076   17.714  310.070   17.344  335.788   9.7623  337.489   9.5105 -1.701324 13.62910 
1 1 1  -15   22   27 o  155.741   9.5036   66.686   7.9876   63.456   11.370   69.834   11.224  151.935   13.849  159.546   13.019 -7.610748 19.00717 
1 1 1  -15   22   28 o  123.460   11.361   41.829   7.5458   47.290   11.268   37.388   10.160  130.724   15.951  116.195   16.182 14.52955 22.72245 
1 1 1  -15   22   29 f  182.885   8.4074   92.065   8.2549   80.543   11.715  103.429   11.634  171.298   12.656  194.473   11.071 -23.17561 16.81477 
1 1 1  -15   22   30 o  190.339   11.182   99.172   11.501   0.0000   0.0000   99.172   11.501  ?   ?   190.339   11.182      ?      ? 
1 1 1  -15   22   31 o   47.571   13.759  -3.5699   6.8716 -19.5039   10.236   9.5015   9.2711   33.687   16.518   61.455   22.009 -27.76780 27.51809 
1 1 1  -15   22   32 o  170.464   8.3343   80.007   7.6592   78.443   11.152   81.404   10.537  168.770   12.229  172.158   11.327 -3.387299 16.66865 
1 1 1  -15   22   33 o   56.948   15.663   6.4031   6.8929   7.8804   10.359   5.2294   9.2335   59.950   22.924   53.947   21.351 6.002914 31.32641 
1 1 1  -15   22   34 o   88.625   13.702   22.036   6.9371   38.766   10.425   8.7403   9.2933  117.522   16.416   59.727   21.943 57.79478 27.40399 
1 1 1  -15   22   35 o  132.775   10.151   49.045   7.2667   50.625   10.702   47.693   9.8982  134.654   14.708  130.896   13.994 3.757416 20.30192 
1 1 1  -15   22   36 o  134.103   10.415   49.794   7.4929   55.605   11.469   45.467   9.8969  140.729   15.082  127.477   14.368 13.25267 20.83007 
1 1 1  -15   22   37 f  112.559   12.123   35.864   7.0860   46.043   10.742   28.023   9.4282  127.707   15.567   97.411   18.590 30.29583 24.24663 
1 1 1  -15   22   38 o   85.625   20.380   22.167   9.2937   0.0000   0.0000   22.167   9.2937  ?   ?    85.625   20.380      ?      ? 
1 1 1  -15   22   39 o   33.398   11.510 -15.5422   6.6076 -12.9936   9.9600 -17.5457   8.8308   36.223   17.411   30.573   15.060 5.649717 23.02092 
1 1 1  -15   22   40 o  103.667   13.044   30.611   7.0078   42.841   10.933   22.084   9.1298  122.233   16.553   85.101   20.163 37.13192 26.08726 
1 1 1  -15   22   41 o   94.394   13.814   27.306   6.8590   22.530   10.373   31.016   9.1429   84.867   22.321  103.921   16.282 -19.05359 27.62842 
1 1 1  -15   22   42 o  104.421   13.034   31.344   7.0146   45.802   10.942   21.256   9.1398  126.055   16.063   82.787   20.531 43.26829 26.06854 
1 1 1  -15   22   43 o  100.940   13.653   32.012   7.1220   22.809   10.584   39.627   9.6279   84.469   22.701  117.410   15.175 -32.94114 27.30593 
1 1 1  -15   22   44 f   63.521   16.226   11.794   7.1308   11.600   10.557   11.956   9.6699   63.515   23.380   63.527   22.506 -0.1194763E-01 32.45235 
1 1 1  -15   22   45 o  144.676   9.9367   60.852   7.5505   54.741   11.761   65.137   9.8480  137.299   15.852  152.053   11.986 -14.75394 19.87333 
1 1 1  -15   22   46 o   88.797   15.118   26.023   7.1433   21.486   11.363   28.987   9.1851   80.303   24.192   97.290   18.139 -16.98668 30.23691 
1 1 1  -15   22   47 f   42.170   13.568  -3.5829   6.8889  -8.2963   10.486  -0.0044   9.1371   39.844   18.779   44.496   19.588 -4.652153 27.13580 
1 1 1  -15   22   48 o   59.517   15.720   9.7069   6.7504   14.862   10.728   6.3281   8.6853   67.273   23.720   51.761   20.637 15.51197 31.44054 
1 1 1  -15   22   49 o   70.995   16.705   16.840   7.4584   22.040   11.653   13.232   9.7070   78.496   24.658   63.494   22.544 15.00181 33.41020 
1 1 1  -15   22   50 o   55.924   17.563   2.2434   9.8840   8.4820   17.567  -0.6464   11.956   63.362   27.540   48.486   21.804 14.87604 35.12655 
1 1 1  -15   22   51 o   61.798   18.312   2.8262   10.431   25.766   18.008  -8.7590   12.797   80.268   30.335   43.328   20.519 36.93985 36.62329 
1 1 1  -15   22   52 o   62.077   18.070   14.735   9.5542   15.012   11.629   14.158   16.758   62.464   24.183   61.689   26.856 0.7754326 36.13929 
1 1 1  -15   22   53 o   70.314   17.135   11.399   8.0341   37.950   15.412   1.4911   9.4145   95.934   27.994   44.694   19.769 51.23932 34.27034 
1 1 1  -15   22   54 o   52.598   15.658   7.9154   7.9757  -2.0374   14.625   12.129   9.5153   47.384   22.285   57.813   22.002 -10.42833 31.31677 
1 1 1  -15   23    1 o  289.126   7.0255  226.793   10.946  204.752   15.282  250.010   15.684  274.659   10.297  303.594   9.5606 -28.93579 14.05100 
1 1 1  -15   23    2 o  198.685   18.333  156.733   12.709   51.171   25.560  191.402   14.648  131.806   35.217  265.565   10.208 -133.7589 36.66610 
1 1 1  -15   23    3 o  266.422   12.539  220.652   13.902  152.995   29.338  240.244   15.788  235.270   23.077  297.573   9.8182 -62.30315 25.07841 
1 1 1  -15   23    4 o  447.909   15.243  547.523   36.895   0.0000   0.0000  547.523   36.895  ?   ?   447.909   15.243      ?      ? 
1 1 1  -15   23    5 o  215.014   11.319  130.472   11.104  134.390   12.782  118.423   22.416  222.476   10.632  207.551   19.986 14.92461 22.63857 
1 1 1  -15   23    7 f  386.376   7.0177  403.617   14.617  367.754   20.049  444.307   21.356  368.097   10.080  404.656   9.7667 -36.55841 14.03537 
1 1 1  -15   23    8 o  234.936   7.6635  150.133   9.7057  137.962   13.704  162.382   13.748  225.320   11.255  244.552   10.404 -19.23203 15.32703 
1 1 1  -15   23    9 o  155.036   9.7577   65.567   8.1676   62.795   11.596   68.296   11.506  151.748   14.141  158.324   13.449 -6.576340 19.51549 
1 1 1  -15   23   11 o  228.723   8.0325  142.244   9.9266  142.465   13.939  142.016   14.139  228.915   11.269  228.531   11.450 0.3836975 16.06495 
1 1 1  -15   23   12 o  547.671   11.174  815.550   33.069   0.0000   0.0000  815.550   33.069  ?   ?   547.671   11.174      ?      ? 
1 1 1  -15   23   13 o  417.559   9.9703  473.579   22.497   0.0000   0.0000  473.579   22.497  ?   ?   417.559   9.9703      ?      ? 
1 1 1  -15   23   14 o  249.130   11.414  169.488   12.910  171.396   26.981  168.922   14.702  249.056   20.048  249.205   10.918 -0.1490631 22.82780 
1 1 1  -15   23   15 o  368.325   11.156  375.120   22.004  326.802   31.700  420.045   30.567  344.802   17.014  391.848   14.436 -47.04581 22.31282 
1 1 1  -15   23   16 f  261.758   12.272  193.392   16.817  164.887   26.032  213.806   22.031  244.070   19.738  279.445   14.589 -35.37550 24.54484 
1 1 1  -15   23   17 o  308.329   11.443  264.124   18.827  223.356   27.165  301.802   26.115  284.688   17.659  331.971   14.558 -47.28271 22.88594 
1 1 1  -15   23   18 o   72.765   16.328   14.085   7.4347   8.8005   10.288   19.861   10.756   62.465   23.065   83.065   23.116 -20.59912 32.65517 
1 1 1  -15   23   19 o  205.781   8.1897  115.456   9.1022  113.774   13.018  117.064   12.732  204.281   11.793  207.280   11.367 -2.998337 16.37943 
1 1 1  -15   23   20 o   57.848   15.658   4.6350   7.3249   12.459   10.571  -2.5911   10.159   69.016   23.589   46.680   20.597 22.33545 31.31541 
1 1 1  -15   23   21 o  130.270   11.753   47.225   8.1025   58.853   11.577   36.059   11.344  146.435   14.630  114.106   18.398 32.32834 23.50618 
1 1 1  -15   23   22 o  182.117   12.077   90.659   11.885   0.0000   0.0000   90.659   11.885  ?   ?   182.117   12.077      ?      ? 
1 1 1  -15   23   23 o  197.103   8.2935  106.169   8.8312  108.695   12.654  103.770   12.330  199.385   11.745  194.822   11.712 4.562927 16.58706 
1 1 1  -15   23   24 o  253.782   7.0747  175.740   9.6948  169.783   13.799  181.547   13.624  249.477   10.236  258.086   9.7690 -8.608749 14.14933 
1 1 1  -15   23   25 o  128.019   10.917   45.362   7.5310   44.181   10.978   46.411   10.351  126.321   16.082  129.716   14.767 -3.394798 21.83339 
1 1 1  -15   23   26 o   71.195   16.164   14.107   7.1015   11.617   9.9320   16.711   10.158   66.299   22.857   76.091   22.862 -9.792946 32.32770 
1 1 1  -15   23   27 o  229.954   7.2356  144.668   8.9658  140.870   13.075  148.040   12.318  226.994   10.660  232.914   9.7871 -5.919830 14.47113 
1 1 1  -15   23   28 o  115.496   12.254   37.628   7.4024   44.759   10.770   31.242   10.192  126.951   15.699  104.042   18.821 22.90910 24.50877 
1 1 1  -15   23   29 o   57.392   15.682   5.8374   7.2092   0.2613   10.340   11.113   10.057   49.688   21.361   65.097   22.964 -15.40875 31.36330 
1 1 1  -15   23   30 o   63.990   16.366   10.055   7.3234   13.443   10.788   7.1582   9.9736   69.724   23.829   58.256   22.439 11.46793 32.73165 
1 1 1  -15   23   31 o  101.704   13.519   31.885   7.0235   19.158   10.490   42.227   9.4559   80.127   23.013  123.281   14.194 -43.15369 27.03871 
1 1 1  -15   23   32 o  131.315   14.154   47.972   10.044   0.0000   0.0000   47.972   10.044  ?   ?   131.315   14.154      ?      ? 
1 1 1  -15   23   33 o  134.076   10.387   50.066   7.5018   52.551   11.147   48.009   10.142  136.992   15.059  131.161   14.310 5.830536 20.77357 
1 1 1  -15   23   34 o   84.524   15.081   22.491   7.1493   13.894   10.915   28.951   9.4615   69.780   23.966   99.269   18.313 -29.48847 30.16199 
1 1 1  -15   23   35 o  118.565   11.425   40.183   7.2375   36.580   10.732   43.188   9.8014  113.150   17.553  123.980   14.630 -10.83033 22.85082 
1 1 1  -15   23   36 o   60.061   15.380   8.4609   6.8740   1.7460   9.8426   14.855   9.6045   49.584   21.066   70.537   22.413 -20.95249 30.75904 
1 1 1  -15   23   37 o  108.907   12.753   35.337   7.1481   30.948   10.861   38.691   9.4940  100.991   20.600  116.822   15.040 -15.83059 25.50624 
1 1 1  -15   23   38 o   82.053   15.275   20.097   6.9626   27.704   10.637   14.395   9.2100   95.004   21.251   69.102   21.947 25.90115 30.54992 
1 1 1  -15   23   39 o  104.684   13.053   32.725   7.1421   28.479   10.357   36.576   9.8621   96.480   20.498  112.887   16.167 -16.40679 26.10642 
1 1 1  -15   23   40 o   76.429   15.718   18.563   6.9738   15.027   10.557   21.300   9.2889   70.091   23.575   82.767   20.795 -12.67614 31.43618 
1 1 1  -15   23   41 o  136.900   10.630   54.013   7.8036   51.664   11.601   55.955   10.547  133.596   16.069  140.204   13.921 -6.607498 21.26045 
1 1 1  -15   23   42 o   60.357   15.474   9.4480   7.1201   1.0511   10.706   16.108   9.5344   49.348   21.474   71.366   22.286 -22.01790 30.94840 
1 1 1  -15   23   43 o  134.690   10.528   53.303   7.4711   42.832   10.963   62.383   10.209  120.957   16.773  148.423   12.729 -27.46529 21.05575 
1 1 1  -15   23   44 o  119.168   12.006   42.224   7.6208   39.472   11.509   44.373   10.170  114.693   18.570  123.643   15.221 -8.949745 24.01123 
1 1 1  -15   23   45 f  190.846   8.2487  103.442   8.4532   99.553   12.519  106.702   11.461  186.980   12.390  194.711   10.892 -7.731171 16.49738 
1 1 1  -15   23   46 o  137.820   10.213   53.869   7.4859   63.903   11.955   47.397   9.6011  147.724   14.977  127.916   13.890 19.80762 20.42637 
1 1 1  -15   23   47 o  111.574   13.750   39.745   7.9398   38.898   12.310   40.349   10.390  107.921   21.858  115.227   16.687 -7.305206 27.49944 
1 1 1  -15   23   48 o   48.818   16.360  -7.2458   10.325  -8.7455   19.788  -6.6847   12.104   53.896   25.521   43.740   20.476 10.15578 32.71980 
1 1 1  -15   23   49 o  173.257   14.470   98.465   11.919   84.414   21.516  104.685   14.316  157.173   25.333  189.342   13.992 -32.16978 28.94059 
1 1 1  -15   23   50 o   94.456   17.519   33.669   9.0193   31.489   12.144   36.351   13.469   91.623   24.177   97.290   25.361 -5.666595 35.03856 
1 1 1  -15   23   51 o   63.806   18.087   14.990   9.2696   13.231   11.749   17.890   15.086   60.921   24.093   66.691   26.984 -5.769505 36.17484 
1 1 1  -15   23   52 f  132.786   13.688   54.546   9.0316   70.586   17.034   48.274   10.652  141.260   22.315  124.313   15.857 16.94642 27.37580 
1 1 1  -15   23   53 o   82.126   17.766   29.026   8.5284   28.108   15.814   29.402   10.127   75.165   28.423   89.087   21.321 -13.92189 35.53129 
1 1 1  -15   24    1 o   64.226   15.993   9.2701   7.2419   3.3208   10.164   15.406   10.321   54.030   22.042   74.423   23.179 -20.39297 31.98583 
1 1 1  -15   24    2 o   74.572   15.790   14.451   7.4680   5.3722   10.345   24.332   10.792   57.317   22.626   91.827   22.031 -34.51062 31.58044 
1 1 1  -15   24    3 o  177.681   27.241   89.009   26.155   89.009   26.155   0.0000   0.0000  177.681   27.241  ?   ?       ?      ? 
1 1 1  -15   24    4 o  247.643   12.493  168.549   12.757  169.031   30.209  168.444   14.073  246.402   22.688  248.885   10.464 -2.482559 24.98517 
1 1 1  -15   24    5 o   91.498   19.070   26.069   9.6262   29.972   10.759   10.414   21.549  102.410   20.160   80.586   32.376 21.82364 38.13947 
1 1 1  -15   24    6 o  114.582   17.764   41.261   9.6694   45.448   11.190   28.919   19.211  128.689   16.092  100.476   31.675 28.21290 35.52816 
1 1 1  -15   24    7 o  118.960   13.379   43.024   7.7550   57.586   10.416   24.910   11.617  145.204   13.275   92.716   23.234 52.48795 26.75862 
1 1 1  -15   24    8 o   49.522   14.686  -3.3205   7.3853 -13.9534   10.295   7.9543   10.601   37.420   17.911   61.623   23.278 -24.20238 29.37165 
1 1 1  -15   24    9 o  104.274   13.825   31.250   7.5171   38.041   10.430   23.908   10.844  117.654   16.405   90.893   22.257 26.76134 27.64941 
1 1 1  -15   24   10 f  300.431   7.1355  245.546   11.564  227.109   16.240  264.510   16.470  288.926   10.402  311.937   9.7707 -23.01068 14.27103 
1 1 1  -15   24   11 o  349.118   9.9029  330.780   16.318  338.964   32.341  327.986   18.900  350.945   17.054  347.290   10.071 3.655396 19.80575 
1 1 1  -15   24   12 o  232.542   13.737  153.476   16.735  129.527   25.731  171.036   22.032  215.608   22.085  249.476   16.344 -33.86714 27.47461 
1 1 1  -15   24   13 o  348.340   11.796  336.902   21.985  298.423   32.088  370.946   30.182  328.887   18.055  367.793   15.187 -38.90665 23.59295 
1 1 1  -15   24   14 o  265.884   12.864  195.931   17.995  191.914   28.766  198.514   23.064  262.954   20.245  268.814   15.878 -5.859985 25.72888 
1 1 1  -15   24   15 o  523.178   15.742  752.252   44.503   0.0000   0.0000  752.252   44.503  ?   ?   523.178   15.742      ?      ? 
1 1 1  -15   24   16 o  435.632   7.2820  517.108   17.126  505.598   24.576  527.974   23.879  430.830   10.557  440.433   10.033 -9.602570 14.56406 
1 1 1  -15   24   17 o  208.299   8.3421  118.473   9.3869  114.472   13.180  122.592   13.372  204.708   11.915  211.890   11.679 -7.181793 16.68425 
1 1 1  -15   24   18 o  314.616   6.8968  269.154   11.713  277.708   17.049  261.507   16.119  319.311   9.8806  309.921   9.6249 9.390198 13.79365 
1 1 1  -15   24   19 o  258.479   7.2574  182.168   10.136  185.103   14.411  179.294   14.260  260.547   10.235  256.413   10.292 4.133972 14.51488 
1 1 1  -15   24   20 f  187.962   11.856   96.692   12.042   0.0000   0.0000   96.692   12.042  ?   ?   187.962   11.856      ?      ? 
1 1 1  -15   24   23 o  139.676   10.566   54.595   7.8579   45.281   11.323   63.248   10.914  127.717   16.406  151.635   13.320 -23.91777 21.13264 
1 1 1  -15   24   24 o  200.005   8.1803  109.310   8.7992  124.935   12.801   95.315   12.115  213.630   11.089  186.381   12.029 27.24954 16.36066 
1 1 1  -15   24   25 o   75.190   15.854   16.454   6.9382   15.284   9.7975   17.631   9.8267   72.853   22.565   77.527   22.276 -4.673996 31.70825 
1 1 1  -15   24   26 o   78.367   15.509   18.151   7.1035   11.595   10.244   24.224   9.8588   66.115   23.189   90.619   20.600 -24.50451 31.01748 
1 1 1  -15   24   27 o   56.763   15.299   5.8394   6.8522   0.0776   9.6314   11.745   9.7505   47.756   20.574   65.770   22.648 -18.01443 30.59805 
1 1 1  -15   24   28 o   92.583   14.750   25.469   7.1968   24.601   10.440   26.254   9.9342   90.819   21.591   94.347   20.101 -3.527641 29.49924 
1 1 1  -15   24   29 o   62.820   15.972   9.2952   7.1125   14.970   10.533   4.5395   9.6429   72.070   23.525   53.570   21.610 18.50060 31.94389 
1 1 1  -15   24   30 o  198.715   10.775  108.631   11.570   0.0000   0.0000  108.631   11.570  ?   ?   198.715   10.775      ?      ? 
1 1 1  -15   24   31 o  200.939   8.0497  111.907   8.6910  107.348   12.830  115.773   11.815  196.876   12.060  205.002   10.665 -8.126236 16.09942 
1 1 1  -15   24   32 o   80.873   13.894   17.209   7.1106   34.945   10.766   3.4877   9.4698  110.463   18.037   51.284   21.140 59.17865 27.78849 
1 1 1  -15   24   33 o   67.824   13.775   11.018   6.9914  -6.3649   10.250   26.141   9.5605   42.118   19.414   93.530   19.546 -51.41164 27.54950 
1 1 1  -15   24   34 o   95.148   13.439   28.547   7.1004   9.3242   10.119   47.195   9.9662   60.832   22.792  129.465   14.246 -68.63319 26.87798 
1 1 1  -15   24   35 o  207.794   7.7205  119.846   8.6476  118.081   12.623  121.408   11.871  206.144   11.332  209.443   10.489 -3.298965 15.44104 
1 1 1  -15   24   36 o   68.813   15.956   14.027   6.8714   16.565   10.065   11.810   9.4043   73.454   22.890   64.172   22.234 9.282379 31.91132 
1 1 1  -15   24   37 o  141.693   10.764   59.407   7.6555   35.363   10.787   83.806   10.866  110.083   18.134  173.302   11.604 -63.21859 21.52882 
1 1 1  -15   24   38 o  177.782   8.6336   89.013   8.2359   85.962   12.260   91.522   11.118  174.552   12.998  181.012   11.367 -6.460693 17.26715 
1 1 1  -15   24   39 o   47.664   14.475   0.0631   6.9256   5.9811   10.054  -5.2813   9.5541   54.639   22.056   40.688   18.751 13.95069 28.94989 
1 1 1  -15   24   40 o   95.441   14.285   27.755   7.2990   36.086   10.813   20.781   9.8933  110.304   18.141   80.578   22.071 29.72623 28.56946 
1 1 1  -15   24   41 o   70.851   16.311   15.726   7.3898   10.810   10.643   20.301   10.268   62.325   23.371   79.378   22.760 -17.05289 32.62268 
1 1 1  -15   24   42 o  123.423   12.494   46.543   7.8859   39.163   11.880   52.355   10.544  112.074   20.368  134.772   14.478 -22.69823 24.98882 
1 1 1  -15   24   43 o   61.351   15.215   9.5531   7.3749  -3.1184   11.064   19.684   9.8931   45.305   20.613   77.397   22.384 -32.09289 30.42905 
1 1 1  -15   24   44 o   65.226   15.788   12.639   7.3555   4.0044   10.621   20.598   10.197   51.766   21.932   78.686   22.716 -26.91940 31.57563 
1 1 1  -15   24   45 o   95.589   14.677   29.498   7.6834   43.565   11.478   18.077   10.343  118.868   17.869   72.311   23.289 46.55680 29.35426 
1 1 1  -15   24   46 o  159.695   15.566   83.074   11.587   82.387   21.471   83.356   13.763  151.815   27.171  167.574   15.199 -15.75978 31.13296 
1 1 1  -15   24   47 o   96.948   19.902   29.500   10.995   57.320   19.782   17.065   13.226  123.106   30.010   70.789   26.149 52.31734 39.80400 
1 1 1  -15   24   48 o  103.082   18.585   42.780   10.611   32.635   19.608   46.982   12.619   85.182   31.765  120.982   19.303 -35.79991 37.16964 
1 1 1  -15   24   49 o   45.117   14.479   0.3783   7.6034   3.5939   11.487  -2.1289   10.143   48.682   21.669   41.551   19.209 7.130920 28.95734 
1 1 1  -15   24   50 o  111.388   17.080   42.628   9.8061   31.722   12.257   62.027   16.346   91.963   24.299  130.813   24.009 -38.84976 34.16003 
1 1 1  -15   24   51 o   56.017   16.158   10.930   7.6635   10.580   12.115   11.163   9.8947   55.934   23.545   56.100   22.134 -0.1659203 32.31563 
1 1 1  -15   25    1 o  202.132   8.1538  111.584   8.8880  104.087   12.623  118.955   12.517  195.318   11.960  208.946   11.086 -13.62727 16.30765 
1 1 1  -15   25    2 o  155.607   9.5533   66.536   7.9919   73.050   11.190   59.756   11.418  163.531   12.664  147.682   14.307 15.84859 19.10670 
1 1 1  -15   25    3 o  296.400   7.1023  238.373   11.359  222.575   15.634  256.037   16.532  286.011   10.116  306.789   9.9723 -20.77740 14.20464 
1 1 1  -15   25    4 o   86.366   20.079   21.963   9.9927   4.0788   25.059   25.345   10.897   79.219   33.632   93.513   21.942 -14.29362 40.15702 
1 1 1  -15   25    5 o  190.864   16.558  119.252   11.973   79.527   26.523  129.419   13.418  163.857   31.093  217.871   11.398 -54.01477 33.11617 
1 1 1  -15   25    6 o   58.040   17.240   2.4212   9.0433   8.1966   10.204 -18.7162   19.522   61.239   22.899   54.842   25.778 6.397274 34.48022 
1 1 1  -15   25    7 o  185.165   12.999  102.987   11.229  113.589   13.374   77.658   20.672  203.954   12.135  166.377   22.993 37.57663 25.99870 
1 1 1  -15   25    8 o  279.073   11.481  225.183   14.515  194.437   29.124  235.343   16.742  264.219   20.399  293.928   10.541 -29.70859 22.96132 
1 1 1  -15   25    9 o  273.826   12.985  211.118   18.868  183.176   28.194  233.784   25.392  256.367   20.352  291.284   16.132 -34.91736 25.97007 
1 1 1  -15   25   10 o  276.641   13.930  220.863   20.004  164.842   29.786  266.892   26.999  242.122   22.766  311.159   16.058 -69.03633 27.85946 
1 1 1  -15   25   11 o  510.972   12.084  724.330   33.261  674.324   47.708  771.622   46.395  493.184   17.902  528.759   16.238 -35.57568 24.16887 
1 1 1  -15   25   12 o  593.872   12.043  964.592   38.645   0.0000   0.0000  964.592   38.645  ?   ?   593.872   12.043      ?      ? 
1 1 1  -15   25   13 o  165.015   9.9323   74.047   8.7592   91.186   13.075   60.091   11.798  182.306   13.272  147.724   14.780 34.58276 19.86462 
1 1 1  -15   25   14 o   63.353   15.503   7.9833   7.1411  -0.5608   9.6957   18.113   10.557   47.604   20.575   79.102   23.194 -31.49775 31.00519 
1 1 1  -15   25   15 f  185.225   9.0314   93.880   9.0249  101.632   13.096   86.868   12.454  192.530   12.588  177.921   12.954 14.60936 18.06281 
1 1 1  -15   25   16 o  111.055   12.768   34.552   7.4652   30.319   10.126   39.594   11.050  102.712   18.942  119.397   17.126 -16.68551 25.53600 
1 1 1  -15   25   17 o  320.908   9.9275  280.915   17.215   0.0000   0.0000  280.915   17.215  ?   ?   320.908   9.9275      ?      ? 
1 1 1  -15   25   18 o  114.204   12.464   36.242   7.6769   34.901   10.468   37.804   11.293  111.987   17.298  116.421   17.950 -4.434357 24.92872 
1 1 1  -15   25   19 o  328.127   7.0189  293.142   12.413  303.481   18.347  284.416   16.856  333.362   10.185  322.893   9.6605 10.46887 14.03781 
1 1 1  -15   25   20 o  162.871   9.5165   73.165   8.2888   60.160   11.502   87.217   11.956  147.561   14.425  178.182   12.417 -30.62146 19.03307 
1 1 1  -15   25   21 o  193.475   8.4870  103.065   8.8317   91.389   12.443  114.919   12.537  182.234   12.636  204.716   11.333 -22.48189 16.97398 
1 1 1  -15   25   22 o   59.956   15.992   8.0724   7.0691   8.9746   10.233   7.2489   9.7769   61.693   22.959   58.219   22.268 3.474590 31.98394 
1 1 1  -15   25   23 o  225.893   7.6509  139.721   9.3225  144.725   13.680  135.382   12.738  229.595   11.027  222.192   10.609 7.402756 15.30189 
1 1 1  -15   25   24 o  190.523   8.5720  100.325   8.7502   84.564   12.239  116.808   12.515  174.905   12.949  206.140   11.235 -31.23468 17.14393 
1 1 1  -15   25   25 o  202.444   7.9774  112.838   8.7078  103.854   12.261  121.982   12.369  194.174   11.685  210.713   10.864 -16.53859 15.95484 
1 1 1  -15   25   26 o   87.428   15.154   22.601   7.2724   30.790   10.637   15.414   9.9653  102.254   19.967   72.601   22.802 29.65285 30.30872 
1 1 1  -15   25   27 o   77.876   15.641   18.215   7.0392   13.614   10.135   22.504   9.7838   69.112   23.100   86.641   21.095 -17.52943 31.28266 
1 1 1  -15   25   28 o   80.312   15.954   19.717   7.2711   16.599   10.797   22.304   9.8359   74.671   23.768   85.953   21.288 -11.28194 31.90779 
1 1 1  -15   25   29 o  143.130   14.647   57.535   11.328   0.0000   0.0000   57.535   11.328  ?   ?   143.130   14.647      ?      ? 
1 1 1  -15   25   30 o  315.247   6.9673  273.593   11.859  261.464   16.783  285.691   16.760  308.132   10.079  322.362   9.6218 -14.22995 13.93460 
1 1 1  -15   25   31 o   56.059   14.171   1.9584   7.0543 -14.2838   10.027   17.879   9.9268   35.651   17.220   76.466   22.511 -40.81459 28.34192 
1 1 1  -15   25   32 o  226.916   7.6756  143.563   9.3427  133.300   13.740  152.390   12.742  218.914   11.615  234.918   10.038 -16.00433 15.35113 
1 1 1  -15   25   33 o   67.406   15.361   11.021   7.5023  -1.2958   10.493   23.903   10.731   47.211   20.876   87.601   22.539 -40.39033 30.72192 
1 1 1  -15   25   34 o   77.949   16.274   18.705   7.4584   23.796   10.828   14.108   10.288   87.116   22.754   68.782   23.272 18.33442 32.54721 
1 1 1  -15   25   35 o   56.753   15.425   6.9606   6.9731   1.3840   10.063   12.112   9.6716   48.991   21.068   64.516   22.537 -15.52425 30.85090 
1 1 1  -15   25   36 o   50.850   21.137   3.7148   9.5803   3.7148   9.5803   0.0000   0.0000   50.850   21.137  ?   ?       ?      ? 
1 1 1  -15   25   37 o   82.644   15.050   22.005   7.1905   12.417   10.435   30.674   9.9222   65.002   23.342  100.286   19.005 -35.28428 30.10077 
1 1 1  -15   25   38 f  163.173   9.2072   76.284   8.0150   69.717   11.971   81.618   10.790  156.002   14.201  170.343   11.722 -14.34114 18.41442 
1 1 1  -15   25   39 o   93.551   15.062   27.533   7.4160   29.030   11.066   26.312   9.9919   95.538   21.902   91.565   20.683 3.972519 30.12449 
1 1 1  -15   25   40 o   53.306   15.389   5.5302   7.0086   6.8831   10.236   4.3361   9.6165   55.533   22.312   51.078   21.200 4.454205 30.77771 
1 1 1  -15   25   41 o   50.423   15.158   3.0196   7.2535   5.6496   10.485   0.6056   10.045   53.841   22.224   47.005   20.619 6.835430 30.31579 
1 1 1  -15   25   42 o   83.280   16.084   22.867   7.5588   28.912   11.085   17.613   10.334   93.762   22.219   72.798   23.262 20.96454 32.16788 
1 1 1  -15   25   43 o   73.490   15.487   18.638   7.5661   6.5397   11.473   27.947   10.065   54.942   23.009   92.038   20.735 -37.09542 30.97342 
1 1 1  -15   25   44 o   58.716   18.159   6.3256   9.7223   4.5203   20.641   6.8403   11.021   62.432   28.308   55.000   22.751 7.432114 36.31712 
1 1 1  -15   25   45 o   79.565   21.101   22.212   11.387   29.775   21.365   19.212   13.458   85.182   32.834   73.949   26.513 11.23311 42.20208 
1 1 1  -15   25   46 o   48.628   16.399  -6.9687   10.424  -9.1464   20.975  -6.2545   12.012   53.929   25.745   43.326   20.319 10.60228 32.79739 
1 1 1  -15   25   47 f   73.230   16.551   21.311   7.6313   16.644   11.324   25.194   10.329   64.907   24.152   81.554   22.637 -16.64751 33.10244 
1 1 1  -15   25   48 o   43.540   14.066  -1.2417   7.2696  -1.8016   11.484  -0.8673   9.3903   44.902   20.643   42.177   19.112 2.724609 28.13160 
1 1 1  -15   25   49 o  145.285   14.077   69.526   10.496   62.641   12.791   83.716   18.364  138.946   17.036  151.624   22.414 -12.67836 28.15365 
1 1 1  -15   26    1 o  140.986   10.579   55.026   7.9819   45.929   11.180   64.485   11.400  128.837   16.058  153.136   13.776 -24.29965 21.15774 
1 1 1  -15   26    2 o  113.646   13.072   36.493   7.6841   27.401   10.518   46.902   11.254   97.085   20.682  130.207   15.994 -33.12215 26.14483 
1 1 1  -15   26    3 o  226.216   7.7558  140.154   9.4552  130.006   13.481  149.980   13.265  218.025   11.443  234.406   10.473 -16.38121 15.51158 
1 1 1  -15   26    4 o   75.619   21.294  -8.9529   10.046   39.459   28.355 -15.9020   10.743  114.082   38.635   37.157   17.916 76.92497 42.58712 
1 1 1  -15   26    5 o   81.653   22.857   11.597   16.029  -9.6869   26.723   23.559   20.033   71.103   32.227   92.204   32.423 -21.10073 45.71489 
1 1 1  -15   26    6 o   84.070   19.953   7.9049   15.385 -47.0495   25.085   41.036   19.478   52.068   25.597  116.072   30.614 -64.00356 39.90547 
1 1 1  -15   26    7 o   87.180   21.359   9.9175   16.486 -35.8333   25.551   42.545   21.578   56.759   27.433  117.600   32.746 -60.84052 42.71845 
1 1 1  -15   26    8 f  106.012   20.054   29.703   9.9667   26.572   11.153   42.117   22.209   95.177   22.108  116.847   33.464 -21.67062 40.10730 
1 1 1  -15   26    9 o  214.781   8.2249  126.153   9.5401  132.301   13.719  120.396   13.275  219.863   11.547  209.699   11.716 10.16431 16.44987 
1 1 1  -15   26   10 o  195.144   8.4983  104.079   8.9481  109.513   13.097   99.321   12.254  199.884   12.126  190.404   11.910 9.480209 16.99661 
1 1 1  -15   26   11 o   59.008   16.391   6.3583   7.6573   7.4346   10.656   5.2091   11.011   60.305   23.204   57.711   23.158 2.594112 32.78262 
1 1 1  -15   26   12 f  136.339   10.922   51.513   8.0308   50.145   11.632   52.759   11.101  134.488   16.006  138.191   14.867 -3.703217 21.84483 
1 1 1  -15   26   13 o  144.640   14.782   57.812   11.553   0.0000   0.0000   57.812   11.553  ?   ?   144.640   14.782      ?      ? 
1 1 1  -15   26   14 o  145.960   10.485   59.104   8.2408   54.452   11.783   63.558   11.530  140.150   15.558  151.770   14.059 -11.61992 20.96934 
1 1 1  -15   26   15 o  124.671   11.493   43.484   7.6951   46.962   10.631   39.656   11.153  130.181   15.112  119.162   17.321 11.01954 22.98687 
1 1 1  -15   26   16 o  336.940   9.7269  310.165   17.710   0.0000   0.0000  310.165   17.710  ?   ?   336.940   9.7269      ?      ? 
1 1 1  -15   26   17 o   53.192   15.138   2.0588   7.1114  -4.9262   9.7398   10.034   10.408   42.710   19.396   63.673   23.247 -20.96323 30.27627 
1 1 1  -15   26   18 o  236.401   10.810  153.311   13.809   0.0000   0.0000  153.311   13.809  ?   ?   236.401   10.810      ?      ? 
1 1 1  -15   26   19 o  178.404   8.7828   87.703   8.4573   93.757   12.155   82.022   11.775  184.432   12.197  172.377   12.641 12.05446 17.56564 
1 1 1  -15   26   20 o   72.525   16.666   15.106   7.4692   15.614   10.885   14.653   10.268   73.577   23.910   71.472   23.222 2.105141 33.33118 
1 1 1  -15   26   21 o  193.405   8.5116  103.894   8.8127   88.794   12.555  118.560   12.373  179.136   12.970  207.675   11.026 -28.53856 17.02319 
1 1 1  -15   26   22 o  135.357   11.133   51.995   7.9832   40.928   11.360   62.793   11.221  120.380   17.464  150.333   13.813 -29.95364 22.26634 
1 1 1  -15   26   23 o   94.110   15.081   26.553   7.5270   31.275   10.727   21.975   10.564  102.921   20.009   85.299   22.569 17.62178 30.16186 
1 1 1  -15   26   24 o  171.183   8.9464   81.428   8.2481   73.665   11.624   89.299   11.705  162.748   13.218  179.618   12.060 -16.86980 17.89279 
1 1 1  -15   26   25 o   59.639   14.682   3.4553   7.3065   20.281   10.728 -11.1007   9.9783   81.490   23.231   37.789   17.960 43.70088 29.36444 
1 1 1  -15   26   26 o  109.675   13.156   35.388   7.5018   28.647   10.658   42.008   10.561   97.538   20.853  121.812   16.045 -24.27346 26.31102 
1 1 1  -15   26   27 o  151.263   10.102   65.600   7.9922   47.777   11.386   82.910   11.221  129.731   16.242  172.795   12.018 -43.06328 20.20447 
1 1 1  -15   26   28 o  109.379   13.575   36.388   7.5802   24.531   10.884   47.558   10.564   89.085   22.579  129.673   15.076 -40.58812 27.14976 
1 1 1  -15   26   29 o  152.229   10.125   65.627   8.2985   60.709   11.891   70.297   11.587  146.314   15.040  158.145   13.558 -11.83153 20.24933 
1 1 1  -15   26   30 o  165.904   9.2438   76.993   8.2749   82.608   12.051   71.983   11.383  171.648   12.993  160.159   13.152 11.48979 18.48764 
1 1 1  -15   26   31 f  177.881   8.9681   88.482   8.5822   90.724   12.812   86.657   11.559  179.656   13.198  176.106   12.146 3.550400 17.93620 
1 1 1  -15   26   32 o   63.832   22.956   11.518   10.096   0.0000   0.0000   11.518   10.096  ?   ?    63.832   22.956      ?      ? 
1 1 1  -15   26   33 o   69.887   15.994   14.348   7.3316   21.810   10.483   7.2035   10.257   82.869   22.728   56.906   22.509 25.96332 31.98815 
1 1 1  -15   26   34 o   89.563   15.395   25.585   7.3528   23.374   11.241   27.238   9.7205   85.072   23.617   94.054   19.754 -8.982063 30.78939 
1 1 1  -15   26   35 o   59.412   15.956   9.3382   7.1092   7.1199   10.796   11.036   9.4462   57.052   22.918   61.773   22.206 -4.720741 31.91135 
1 1 1  -15   26   36 o   88.146   15.405   24.988   7.3904   19.855   10.610   29.825   10.300   78.312   23.328   97.981   20.127 -19.66899 30.81075 
1 1 1  -15   26   37 o   62.555   16.210   11.161   7.3098   7.5568   10.832   14.176   9.9054   57.558   23.014   67.552   22.835 -9.993118 32.42037 
1 1 1  -15   26   38 o   95.728   14.985   29.460   7.7679   21.867   11.127   36.678   10.849   80.971   23.832  110.484   18.172 -29.51292 29.96993 
1 1 1  -15   26   39 o  106.143   14.454   37.518   7.9512   21.377   11.670   51.503   10.863   79.463   24.630  132.823   15.135 -53.36012 28.90810 
1 1 1  -15   26   40 o   62.711   16.596   11.942   7.5919   11.105   11.014   12.699   10.479   61.603   23.617   63.818   23.323 -2.214817 33.19247 
1 1 1  -15   26   41 o  104.337   14.275   34.589   7.8573   41.785   11.916   29.054   10.451  115.261   19.132   93.414   21.192 21.84706 28.55039 
1 1 1  -15   26   42 o  119.875   18.526   57.822   10.617   37.815   21.876   63.987   12.143   92.983   33.741  146.768   15.311 -53.78535 37.05264 
1 1 1  -15   26   43 o  102.324   18.303   28.080   11.894   77.432   20.783   4.0428   14.504  148.176   26.949   56.472   24.774 91.70404 36.60566 
1 1 1  -15   26   44 o   67.328   19.488   15.339   11.050   14.128   19.008   15.957   13.580   67.155   28.917   67.501   26.133 -0.3459244 38.97605 
1 1 1  -15   26   45 o   53.878   15.538   7.8390   7.8658  -2.1976   11.967   15.473   10.437   44.275   20.604   63.482   23.264 -19.20662 31.07692 
1 1 1  -15   26   46 o   73.688   16.902   19.883   7.7920   26.428   11.793   14.813   10.380   83.273   24.542   64.103   23.245 19.17051 33.80338 
1 1 1  -15   26   47 o   91.072   15.023   30.982   7.6359   21.447   11.307   38.978   10.354   72.876   24.398  109.268   17.535 -36.39217 30.04594 
1 1 1  -15   27    1 o  132.353   22.604   56.898   16.656   36.914   26.414   70.090   21.461  109.322   37.288  155.384   25.560 -46.06126 45.20715 
1 1 1  -15   27    2 o  100.672   24.870   29.798   16.241   29.595   27.310   29.910   20.200  101.815   37.582   99.529   32.583 2.286308 49.74026 
1 1 1  -15   27    3 o   80.585   23.408   11.156   16.066   7.7207   26.368   13.185   20.261   81.518   34.548   79.652   31.595 1.866112 46.81649 
1 1 1  -15   27    4 o   89.983   18.632   12.418   8.9929   3.4520   10.018   49.617   20.407   53.179   21.811  126.787   30.214 -73.60846 37.26423 
1 1 1  -15   27    5 o   54.905   15.857   3.6050   7.5907   7.0476   10.291  -0.5027   11.241   58.876   22.761   50.934   22.084 7.942482 31.71430 
1 1 1  -15   27    6 o   93.720   21.710   22.109   9.9801   33.626   25.537   20.033   10.842  105.157   36.628   82.283   23.319 22.87368 43.42064 
1 1 1  -15   27    7 o   60.206   18.715   1.3009   10.160 -18.0923   24.746   5.2325   11.142   62.743   29.342   57.668   23.241 5.075146 37.43061 
1 1 1  -15   27    8 o  182.160   21.439   94.730   21.103   0.0000   0.0000   94.730   21.103  ?   ?   182.160   21.439      ?      ? 
1 1 1  -15   27    9 o   75.707   18.047   16.853   9.3219   22.722   10.736  -1.1347   18.795   87.323   22.583   64.090   28.156 23.23347 36.09349 
1 1 1  -15   27   10 o  227.768   10.722  142.248   13.197   0.0000   0.0000  142.248   13.197  ?   ?   227.768   10.722      ?      ? 
1 1 1  -15   27   11 o   66.131   16.647   11.194   7.5239   8.7074   10.292   14.048   11.027   61.238   22.978   71.024   24.093 -9.786503 33.29357 
1 1 1  -15   27   12 o   95.338   15.161   26.960   7.6363   30.526   10.950   23.584   10.654  101.824   20.609   88.851   22.242 12.97289 30.32252 
1 1 1  -15   27   13 o  275.809   10.034  208.363   14.954   0.0000   0.0000  208.363   14.954  ?   ?   275.809   10.034      ?      ? 
1 1 1  -15   27   14 o  276.069   10.157  208.876   15.152   0.0000   0.0000  208.876   15.152  ?   ?   276.069   10.157      ?      ? 
1 1 1  -15   27   15 o  164.078   9.2256   74.181   8.1588   67.488   11.166   81.848   11.950  156.114   13.237  172.042   12.855 -15.92822 18.45116 
1 1 1  -15   27   17 o   75.218   16.399   15.231   8.0340   26.322   11.690   5.3019   11.060   93.268   23.270   57.167   23.114 36.10071 32.79889 
1 1 1  -15   27   18 o   65.807   15.834   8.6218   7.8457  -3.3896   10.816   21.959   11.397   46.539   20.848   85.075   23.838 -38.53568 31.66819 
1 1 1  -15   27   19 o  192.587   12.122  102.626   12.615   0.0000   0.0000  102.626   12.615  ?   ?   192.587   12.122      ?      ? 
1 1 1  -15   27   20 o  157.579   9.7252   69.395   8.2624   74.530   11.677   64.245   11.693  163.622   13.206  151.537   14.280 12.08517 19.45040 
1 1 1  -15   27   21 o   62.188   16.006   9.1910   7.3302   15.232   10.340   3.0879   10.393   71.798   23.302   52.579   21.949 19.21843 32.01176 
1 1 1  -15   27   22 o   86.312   15.955   22.837   7.5239   22.247   10.889   23.375   10.408   85.099   23.092   87.526   22.024 -2.427086 31.91050 
1 1 1  -15   27   23 o   65.699   16.238   11.674   7.4084   6.0464   10.821   16.641   10.164   57.148   22.948   74.250   22.981 -17.10146 32.47697 
1 1 1  -15   27   24 o   84.915   16.067   22.213   7.5191   20.694   10.403   23.876   10.881   81.929   22.709   87.901   22.736 -5.972084 32.13490 
1 1 1  -15   27   25 o   40.470   13.261 -11.5123   7.4108   0.3876   10.415 -23.7141   10.547   48.967   21.244   31.974   15.877 16.99310 26.52169 
1 1 1  -15   27   26 o   61.025   16.069   8.7077   7.3848   14.659   10.628   3.1517   10.269   70.135   23.654   51.915   21.756 18.21996 32.13748 
1 1 1  -15   27   27 o   69.734   16.569   14.299   7.5765   9.7020   10.864   18.652   10.572   62.005   23.531   77.464   23.334 -15.45844 33.13876 
1 1 1  -15   27   28 o   72.781   15.452   15.085   7.4620   3.8543   10.512   26.494   10.595   53.083   22.109   92.478   21.593 -39.39519 30.90437 
1 1 1  -15   27   29 o   64.369   16.584   11.555   7.4785   12.878   10.929   10.390   10.255   66.699   23.895   62.039   23.004 4.659977 33.16895 
1 1 1  -15   27   30 o   67.857   16.466   13.578   7.4162   9.7088   10.314   17.719   10.671   60.787   22.962   74.926   23.606 -14.13825 32.93150 
1 1 1  -15   27   31 o   78.721   16.533   19.538   7.6269   24.515   11.259   15.318   10.368   87.225   23.403   70.218   23.360 17.00751 33.06623 
1 1 1  -15   27   32 f   50.403   15.151   1.4729   7.4107   7.3249   10.796  -3.7419   10.191   57.356   22.960   43.450   19.774 13.90602 30.30166 
1 1 1  -15   27   33 o  124.298   11.749   45.169   7.8879   47.063   11.271   43.352   11.043  126.955   16.430  121.640   16.800 5.314941 23.49833 
1 1 1  -15   27   34 o   66.369   16.300   13.282   7.3216   9.2279   10.587   16.998   10.136   59.780   23.093   72.957   23.009 -13.17764 32.59910 
1 1 1  -15   27   35 o   47.254   14.676  -0.3898   7.2638   3.8181   10.774  -3.8967   9.8355   52.288   22.117   42.220   19.296 10.06819 29.35171 
1 1 1  -15   27   36 o   75.336   16.587   18.765   7.5457   21.828   10.718   15.755   10.625   80.974   23.264   69.699   23.650 11.27524 33.17412 
1 1 1  -15   27   37 o   99.916   14.794   31.622   7.9015   40.806   11.515   23.448   10.862  116.059   18.361   83.773   23.201 32.28638 29.58707 
1 1 1  -15   27   38 o   74.087   16.749   18.347   7.8444   25.676   11.540   12.053   10.695   85.901   23.958   62.272   23.413 23.62966 33.49813 
1 1 1  -15   27   39 o   38.757   13.066  -9.6286   7.5966 -12.8809   11.519  -7.1254   10.106   38.331   18.500   39.182   18.457 -0.8511353 26.13284 
1 1 1  -15   27   40 o   39.579   14.130 -36.2033   11.638 -32.1847   21.141 -37.9505   13.940   46.089   22.814   33.069   16.677 13.01996 28.25985 
1 1 1  -15   27   41 o   70.008   20.269   15.573   12.600   5.0901   21.895   20.764   15.406   64.269   29.146   75.747   28.174 -11.47869 40.53771 
1 1 1  -15   27   42 f   60.527   18.880  -0.6708   11.981   28.784   20.758 -15.3829   14.671   79.087   31.775   41.967   20.401 37.12063 37.76046 
1 1 1  -15   27   43 o   37.911   12.845  -8.9349   7.5282  -3.7353   10.999 -13.5176   10.326   41.660   19.507   34.163   16.717 7.497471 25.69067 
1 1 1  -15   27   44 o   47.373   14.883   0.7106   7.8127   7.2175   11.355  -5.1387   10.766   53.719   22.714   41.027   19.239 12.69213 29.76653 
1 1 1  -15   27   45 o   60.978   16.820   13.952   7.9602   16.117   11.974   12.238   10.656   63.676   24.570   58.280   22.977 5.396294 33.64000 
1 1 1  -15   28    1 o  100.209   14.155   30.056   7.4617   38.838   10.350   20.554   10.767  117.670   16.278   82.747   23.163 34.92229 28.31084 
1 1 1  -15   28    2 o   48.613   14.710   0.6744   6.7920   0.1173   8.9069   1.4485   10.499   45.999   19.801   51.228   21.760 -5.228756 29.42073 
1 1 1  -15   28    4 o  113.052   12.397   35.594   7.5153   32.351   9.9069   39.989   11.534  107.183   17.105  118.922   17.949 -11.73899 24.79424 
1 1 1  -15   28    5 o  183.542   8.6116   92.907   8.5348   91.218   11.807   94.755   12.351  181.848   12.016  185.236   12.339 -3.388031 17.22326 
1 1 1  -15   28    6 o  121.490   12.329   41.677   8.0824   44.228   11.446   39.140   11.415  125.358   16.897  117.621   17.960 7.736588 24.65865 
1 1 1  -15   28    7 o  250.947   12.915  188.831   13.501  161.171   29.955  195.882   15.124  234.787   23.610  267.106   10.478 -32.31898 25.83096 
1 1 1  -15   28    8 o   63.402   19.576   3.7186   10.600 -22.8604   29.089   7.7881   11.382   65.655   31.046   61.149   23.855 4.506035 39.15202 
1 1 1  -15   28    9 o  105.916   19.465   26.373   9.3043   20.447   10.259   53.851   22.090   82.475   22.427  129.357   31.821 -46.88169 38.92981 
1 1 1  -15   28   10 o   88.024   19.831   23.016   9.2579   23.385   10.243   21.369   21.639   88.253   21.643   87.796   33.236 0.4567413 39.66182 
1 1 1  -15   28   11 o  236.262   7.8799  152.948   10.024  172.119   14.743  136.463   13.671  250.051   10.911  222.472   11.372 27.57924 15.75989 
1 1 1  -15   28   12 f   97.721   15.525   28.729   8.0089   25.616   11.160   32.035   11.500   91.903   22.624  103.538   21.267 -11.63542 31.05039 
1 1 1  -15   28   14 o  102.288   15.099   31.545   8.0775   28.342   11.492   34.672   11.356   96.527   22.456  108.050   20.191 -11.52333 30.19853 
1 1 1  -15   28   15 o  102.588   14.038   31.307   7.4909   31.482   10.321   31.113   10.889  103.173   19.220  102.003   20.467 1.169434 28.07699 
1 1 1  -15   28   16 o   78.264   16.771   18.650   7.7064   18.870   10.902   18.431   10.895   78.677   23.694   77.851   23.741 0.8261261 33.54205 
1 1 1  -15   28   17 o  171.638   9.3018   82.196   8.6219   81.567   12.381   82.789   12.014  170.896   13.407  172.381   12.898 -1.485062 18.60362 
1 1 1  -15   28   18 o   68.067   16.473   12.772   7.5354   18.149   10.763   7.6007   10.554   77.170   23.609   58.965   22.979 18.20453 32.94555 
1 1 1  -15   28   19 o   84.946   16.726   22.476   8.0169   19.493   11.573   25.228   11.116   79.501   24.508   90.391   22.769 -10.89027 33.45290 
1 1 1  -15   28   20 o  110.062   13.990   35.796   8.0269   45.944   11.778   26.995   10.969  126.497   17.231   93.628   22.045 32.86887 27.97985 
1 1 1  -15   28   21 o   39.601   13.169 -10.6236   7.3358  -4.0931   10.569 -16.6947   10.190   44.652   20.250   34.549   16.841 10.10328 26.33826 
1 1 1  -15   28   22 o  139.234   14.993   55.001   11.281   0.0000   0.0000   55.001   11.281  ?   ?   139.234   14.993      ?      ? 
1 1 1  -15   28   23 o   81.633   16.177   20.758   7.5624   25.636   10.717   15.920   10.673   90.915   22.042   72.351   23.684 18.56415 32.35428 
1 1 1  -15   28   24 o   63.627   16.279   10.215   7.5590   16.919   10.867   3.9286   10.522   74.042   23.874   53.213   22.138 20.82888 32.55854 
1 1 1  -15   28   25 o  130.954   11.591   49.583   8.1682   45.608   11.703   53.359   11.406  125.366   17.276  136.543   15.458 -11.17673 23.18213 
1 1 1  -15   28   26 o  148.401   10.419   62.910   8.3460   61.427   11.977   64.309   11.636  146.483   15.132  150.318   14.325 -3.835098 20.83716 
1 1 1  -15   28   27 o   42.715   13.964  -6.3460   7.6236  -9.3503   11.197  -3.7501   10.409   41.303   19.448   44.127   20.044 -2.824825 27.92850 
1 1 1  -15   28   28 o   97.165   15.605   30.153   8.0185   26.507   11.721   33.360   10.994   90.424   23.700  103.906   20.309 -13.48230 31.21076 
1 1 1  -15   28   29 o  117.451   12.352   40.763   7.8094   38.347   11.281   42.985   10.821  113.577   18.382  121.325   16.506 -7.747879 24.70474 
1 1 1  -15   28   30 o   68.646   14.476   11.494   7.6112  -6.7927   11.004   28.269   10.539   42.574   19.794   94.717   21.129 -52.14237 28.95233 
1 1 1  -15   28   31 o   50.684   15.380   1.7788   7.5613   5.4683   11.351  -1.1646   10.138   55.568   23.045   45.800   20.373 9.767624 30.75955 
1 1 1  -15   28   32 o   55.673   16.116   6.2465   7.7335   4.6940   10.842   7.8546   11.034   53.470   22.378   57.877   23.197 -4.407154 32.23144 
1 1 1  -15   28   33 o   66.285   16.815   13.711   7.6771   12.334   10.886   15.074   10.828   64.022   23.709   68.547   23.852 -4.524796 33.63079 
1 1 1  -15   28   34 o   82.548   16.444   22.760   7.6592   21.486   10.934   23.988   10.732   80.057   23.642   85.040   22.862 -4.982841 32.88749 
1 1 1  -15   28   35 o   71.661   17.158   17.359   7.9598   20.120   11.388   14.722   11.130   76.279   24.424   67.044   24.104 9.234665 34.31511 
1 1 1  -15   28   36 o   62.227   16.488   11.738   7.9548   4.5726   11.687   17.924   10.859   52.828   22.711   71.627   23.910 -18.79872 32.97678 
1 1 1  -15   28   37 o   42.133   13.932  -6.3351   7.8924  -5.2461   10.937  -7.5184   11.400   42.535   19.762   41.732   19.642 0.8031158 27.86314 
1 1 1  -15   28   38 o   98.224   22.129   40.557   13.823   30.586   23.911   45.563   16.941   85.193   34.147  111.256   28.156 -26.06321 44.25760 
1 1 1  -15   28   39 o   52.550   17.168  -4.8895   12.070 -24.4144   20.526   5.4302   14.923   47.572   23.339   57.528   25.185 -9.955620 34.33692 
1 1 1  -15   28   40 o   48.241   16.503  -8.5988   12.214 -11.4887   22.387  -7.3739   14.574   51.454   25.056   45.029   21.486 6.424992 33.00685 
1 1 1  -15   28   41 o   45.893   14.621  -1.5382   8.0739   7.8761   11.419 -10.9499   11.417   53.807   22.766   37.979   18.352 15.82774 29.24125 
1 1 1  -15   28   42 f   61.990   16.848   13.399   7.9676   16.438   11.660   10.738   10.913   66.205   24.533   57.774   23.100 8.430824 33.69693 
1 1 1  -15   28   43 f   69.833   18.364   22.259   10.123   27.505   12.416   11.851   17.486   80.664   25.467   59.003   26.464 21.66118 36.72756 
1 1 1  -15   29    1 o  165.343   9.1489   76.654   8.0700   79.870   10.744   72.491   12.223  169.798   11.710  160.889   14.060 8.909454 18.29775 
1 1 1  -15   29    2 o   51.553   14.946   0.3801   7.1703  -7.6869   9.6417   10.363   10.725   39.523   18.427   63.583   23.536 -24.05993 29.89113 
1 1 1  -15   29    3 o  104.461   13.264   31.991   7.2285   32.969   9.6069   30.715   10.974  107.788   16.494  101.134   20.776 6.654686 26.52735 
1 1 1  -15   29    4 o  197.870   11.998  108.602   12.828   0.0000   0.0000  108.602   12.828  ?   ?   197.870   11.998      ?      ? 
1 1 1  -15   29    5 o  105.560   14.062   33.354   7.7484   38.186   10.568   27.737   11.394  115.862   16.880   95.258   22.494 20.60371 28.12368 
1 1 1  -15   29    6 o   64.243   16.270   11.027   7.2834   13.893   9.9492   7.7169   10.691   69.052   22.880   59.433   23.137 9.619331 32.53945 
1 1 1  -15   29    7 o  101.084   14.235   31.284   7.5951   18.267   10.814   43.955   10.669   77.505   23.657  124.663   15.838 -47.15797 28.46947 
1 1 1  -15   29    8 o   99.364   21.721   18.846   10.077   61.554   26.813   11.822   10.874  132.676   36.332   66.052   23.816 66.62395 43.44218 
1 1 1  -15   29    9 o   63.271   17.689   7.4024   10.021 -40.0450   25.500   16.067   10.897   53.142   26.060   73.400   23.927 -20.25834 35.37836 
1 1 1  -15   29   10 o  167.273   22.754   83.131   20.567   0.0000   0.0000   83.131   20.567  ?   ?   167.273   22.754      ?      ? 
1 1 1  -15   29   11 o   61.211   16.803   7.7393   8.7507   14.681   9.9647 -15.6577   18.294   70.365   22.877   52.058   24.617 18.30675 33.60646 
1 1 1  -15   29   12 o  148.202   10.460   61.909   8.3584   67.486   12.000   56.655   11.649  154.867   14.340  141.537   15.231 13.33064 20.91903 
1 1 1  -15   29   13 o  175.300   12.820   85.874   12.144   0.0000   0.0000   85.874   12.144  ?   ?   175.300   12.820      ?      ? 
1 1 1  -15   29   14 o   77.848   16.510   18.755   7.5108   20.036   10.508   17.417   10.740   80.356   23.020   75.340   23.673 5.016846 33.01983 
1 1 1  -15   29   15 o   60.168   16.158   8.8487   7.3455   11.367   9.7317   5.5149   11.198   63.726   22.578   56.611   23.121 7.114964 32.31609 
1 1 1  -15   29   16 o  257.865   10.869  184.379   15.145   0.0000   0.0000  184.379   15.145  ?   ?   257.865   10.869      ?      ? 
1 1 1  -15   29   17 o   68.551   15.899   11.691   7.7436   0.7032   10.661   23.963   11.267   49.730   21.534   87.372   23.397 -37.64211 31.79835 
1 1 1  -15   29   18 o   64.376   16.804   11.077   7.7489   9.1850   10.770   13.108   11.157   61.074   23.369   67.678   24.154 -6.603912 33.60855 
1 1 1  -15   29   19 o  162.856   9.6917   74.814   8.5149   74.738   11.715   74.900   12.397  162.967   13.304  162.745   14.097 0.2221832 19.38339 
1 1 1  -15   29   20 o  202.693   12.083  114.976   13.234   0.0000   0.0000  114.976   13.234  ?   ?   202.693   12.083      ?      ? 
1 1 1  -15   29   21 o  111.904   13.728   37.608   8.0500   31.918   11.286   43.503   11.486  101.544   21.250  122.264   17.385 -20.72009 27.45527 
1 1 1  -15   29   22 o  178.236   9.3568   89.690   8.9500  104.020   12.943   76.562   12.389  192.312   12.455  164.159   13.967 28.15317 18.71361 
1 1 1  -15   29   23 o   89.817   16.149   25.841   7.8730   27.805   10.928   23.722   11.352   93.888   21.936   85.746   23.707 8.141457 32.29863 
1 1 1  -15   29   24 o  109.369   14.313   36.636   8.2157   30.032   11.488   43.549   11.754   97.201   22.340  121.537   17.897 -24.33644 28.62509 
1 1 1  -15   29   25 o  119.781   13.104   43.233   8.2120   37.331   11.600   49.162   11.627  109.848   20.290  129.714   16.588 -19.86563 26.20790 
1 1 1  -15   29   27 o   63.551   16.770   10.466   8.0261   17.050   11.663   4.5420   11.062   73.076   24.778   54.025   22.606 19.05146 33.54093 
1 1 1  -15   29   28 o  153.103   10.264   67.241   8.4685   74.404   12.345   60.874   11.639  160.985   14.191  145.221   14.832 15.76443 20.52717 
1 1 1  -15   29   29 o  130.781   11.901   50.646   8.4098   50.525   11.806   50.772   11.982  130.699   16.717  130.862   16.945 -0.1636658 23.80280 
1 1 1  -15   29   30 f   56.884   15.790   5.9096   7.7814   15.279   11.011  -3.4371   10.998   68.890   24.048   44.879   20.470 24.01097 31.58056 
1 1 1  -15   29   31 o   64.394   17.162   12.019   8.2975   16.629   11.894   7.6482   11.581   71.066   24.983   57.723   23.536 13.34344 34.32404 
1 1 1  -15   29   32 o   86.323   16.856   25.383   8.2027   31.545   12.162   20.241   11.110   96.127   23.589   76.519   24.083 19.60852 33.71154 
1 1 1  -15   29   33 o   52.448   15.535   3.2684   7.7076   12.354   11.658  -3.7878   10.274   62.675   24.227   42.221   19.453 20.45413 31.06975 
1 1 1  -15   29   34 o   42.370   13.966  -5.7593   7.8095  -5.1111   11.387  -6.3351   10.731   43.494   20.193   41.246   19.299 2.248169 27.93270 
1 1 1  -15   29   35 o   47.247   16.178 -11.7260   10.370 -13.1509   21.871 -11.3127   11.778   54.403   26.057   40.090   19.181 14.31361 32.35571 
1 1 1  -15   29   36 o   57.099   18.342  -0.6782   12.856 -13.6779   19.776   8.8356   16.918   51.364   24.648   62.834   27.168 -11.46950 36.68320 
1 1 1  -15   29   37 o   69.817   20.542   19.747   13.100   12.854   22.080   23.491   16.273   65.102   29.420   74.532   28.676 -9.429695 41.08322 
1 1 1  -15   29   38 o   82.536   19.178   26.650   9.9567   16.308   12.350   45.856   16.829   64.045   24.886  101.026   29.188 -36.98085 38.35679 
1 1 1  -15   29   39 o   51.725   15.913   5.0290   8.3345   6.5526   11.663   3.4391   11.914   53.221   22.778   50.229   22.226 2.992146 31.82546 
1 1 1  -15   29   40 o   76.256   19.550   26.511   10.840   30.586   13.864   20.101   17.388   84.748   26.929   67.765   28.348 16.98273 39.09929 
1 1 1  -15   29   41 o   52.000   16.569   4.8996   10.339   11.881   13.176  -6.2883   16.680   57.320   24.363   46.681   22.462 10.63924 33.13710 
1 1 1  -15   30    1 o  179.438   12.246   89.897   11.874   89.897   11.874   0.0000   0.0000  179.438   12.246  ?   ?       ?      ? 
1 1 1  -15   30    2 o  130.378   10.964   48.729   7.6199   50.957   10.148   45.848   11.538  134.444   13.968  126.311   16.904 8.133476 21.92859 
1 1 1  -15   30    3 o   49.613   14.873   1.5514   7.0926   5.3843   9.5210  -3.2278   10.631   53.642   21.531   45.585   20.524 8.056988 29.74588 
1 1 1  -15   30    4 o   79.110   16.223   19.616   7.4452   22.802   10.097   15.819   11.022   85.879   21.738   72.342   24.087 13.53759 32.44550 
1 1 1  -15   30    5 o   58.916   15.610   7.3553   7.3570   14.657   9.9472  -1.4620   10.931   69.852   22.864   47.980   21.257 21.87228 31.21960 
1 1 1  -15   30    6 o   80.574   15.647   20.411   7.1143   23.598   9.5102   16.362   10.720   87.922   20.410   73.226   23.723 14.69550 31.29482 
1 1 1  -15   30    7 o   82.049   15.874   20.897   7.1754   20.881   9.3561   20.920   11.181   82.430   20.958   81.667   23.848 0.7635880 31.74866 
1 1 1  -15   30    8 o   99.782   14.833   29.764   7.9495   19.632   10.755   41.967   11.803   79.315   23.454  120.249   18.164 -40.93371 29.66519 
1 1 1  -15   30    9 o   61.766   20.110  -6.7048   10.012   16.162   27.988 -10.0605   10.722   83.487   35.497   40.046   18.909 43.44061 40.21914 
1 1 1  -15   30   10 o   72.961   20.068   14.699   10.274  -0.8288   26.361   17.481   11.156   70.706   32.031   75.217   24.183 -4.510452 40.13516 
1 1 1  -15   30   11 o   82.743   19.607   17.934   8.7333   14.441   9.7731   31.779   19.457   69.214   22.664   96.272   32.001 -27.05787 39.21350 
1 1 1  -15   30   12 o   76.421   19.588   12.684   9.0019   7.7322   10.148   30.968   19.500   57.907   22.542   94.934   32.040 -37.02690 39.17534 
1 1 1  -15   30   13 o   88.022   15.674   24.094   7.4108   22.641   9.8907   25.954   11.190   85.298   21.473   90.745   22.838 -5.446938 31.34759 
1 1 1  -15   30   14 o   45.713   13.628  -7.9659   7.2271   10.180   10.016 -27.6776   10.439   61.460   22.745   29.965   15.019 31.49423 27.25637 
1 1 1  -15   30   15 o   80.053   16.764   20.099   8.0697   27.321   11.565   13.245   11.266   92.703   23.154   67.403   24.248 25.30025 33.52784 
1 1 1  -15   30   16 o  161.062   9.8504   72.688   8.5001   61.187   11.367   87.276   12.802  146.561   14.353  175.564   13.494 -29.00359 19.70074 
1 1 1  -15   30   17 o  141.346   10.864   57.399   8.2423   57.231   11.044   57.610   12.383  141.611   14.433  141.081   16.243 0.5304413 21.72897 
1 1 1  -15   30   18 o  154.410   10.127   68.141   8.4246   68.886   11.526   67.287   12.344  155.668   13.703  153.151   14.916 2.516846 20.25467 
1 1 1  -15   30   19 o   58.595   16.153   8.4173   7.3923   9.6227   10.000   6.9650   10.977   59.983   22.621   57.208   23.063 2.775513 32.30527 
1 1 1  -15   30   20 o   96.795   14.961   29.637   7.7726   35.136   10.674   23.431   11.341  108.867   18.144   84.724   23.792 24.14265 29.92136 
1 1 1  -15   30   21 o   66.281   16.620   13.259   7.5512   15.654   10.220   10.379   11.207   70.433   23.181   62.129   23.822 8.303719 33.23944 
1 1 1  -15   30   22 o   92.693   16.349   27.790   8.1714   29.677   11.630   25.951   11.484   96.089   22.750   89.297   23.485 6.792206 32.69754 
1 1 1  -15   30   23 o   79.490   16.729   20.253   7.8999   14.752   10.879   26.390   11.491   68.933   23.912   90.047   23.401 -21.11433 33.45739 
1 1 1  -15   30   24 o  130.728   12.707   52.157   8.4873   63.147   11.785   40.314   12.233  147.887   14.747  113.570   20.697 34.31728 25.41307 
1 1 1  -15   30   25 o   46.181   14.371  -6.5743   7.8790   8.4125   11.206 -21.2278   11.080   58.635   23.421   33.726   16.662 24.90964 28.74265 
1 1 1  -15   30   26 o   91.278   16.414   27.910   8.2425   22.122   11.820   33.390   11.500   80.714   24.749  101.841   21.568 -21.12639 32.82886 
1 1 1  -15   30   27 o  124.392   13.390   46.944   8.5039   63.631   12.704   33.397   11.447  146.934   16.000  101.851   21.475 45.08297 26.78003 
1 1 1  -15   30   28 o   45.695   14.575  -2.5566   7.7733  -7.5223   11.104   2.2148   10.885   41.488   19.482   49.903   21.684 -8.415169 29.15074 
1 1 1  -15   30   29 o   88.553   16.906   27.514   8.3694   31.850   11.821   23.157   11.851   96.547   22.989   80.559   24.795 15.98740 33.81274 
1 1 1  -15   30   30 o   85.343   16.992   25.957   8.3666   31.280   11.618   20.221   12.059   95.620   22.805   75.067   25.196 20.55214 33.98411 
1 1 1  -15   30   31 o   40.972   13.730 -10.0616   8.2164 -15.8816   11.489  -3.9698   11.755   36.779   17.918   45.165   20.809 -8.386490 27.46029 
1 1 1  -15   30   32 o   61.403   17.104   10.719   8.3198   12.616   12.362   9.1474   11.249   64.197   24.910   58.609   23.446 5.588547 34.20892 
1 1 1  -15   30   33 f   52.442   17.445  -6.4254   12.161  -3.6171   20.126  -8.0405   15.263   56.852   26.545   48.031   22.643 8.821171 34.89080 
1 1 1  -15   30   34 o   57.524   18.242   1.8329   13.150 -22.0811   20.681   18.063   17.038   46.896   23.090   68.152   28.247 -21.25627 36.48336 
1 1 1  -15   30   35 f   57.763   18.633   2.9924   13.183   24.842   20.291 -12.9685   17.342   70.390   30.083   45.135   21.995 25.25506 37.26630 
1 1 1  -15   30   36 o   40.628   13.994 -15.3611   9.9719  -7.2359   12.060 -32.9279   17.732   41.775   19.823   39.481   19.757 2.294552 27.98740 
1 1 1  -15   30   37 o   60.223   18.290   11.576   10.553   9.9009   13.736   13.989   16.486   57.698   24.708   62.748   26.974 -5.050152 36.57977 
1 1 1  -15   30   38 o  102.384   19.894   47.997   11.505   50.676   14.700   43.761   18.484  113.341   24.700   91.427   31.192 21.91322 39.78735 
1 1 1  -15   31    1 o   72.294   14.805   14.308   6.9795   3.4267   9.3914   27.732   10.431   50.138   20.892   94.451   20.984 -44.31314 29.61035 
1 1 1  -15   31    2 o  158.156   9.4377   71.118   7.9000   72.655   10.274   68.895   12.357  161.033   11.807  155.279   14.727 5.754166 18.87535 
1 1 1  -15   31    3 o  123.408   11.790   45.056   7.6605   50.224   10.214   38.412   11.582  132.814   14.232  114.001   18.801 18.81349 23.58001 
1 1 1  -15   31    4 o  233.849   11.030  152.541   13.938   0.0000   0.0000  152.541   13.938  ?   ?   233.849   11.030      ?      ? 
1 1 1  -15   31    5 o  169.872   9.4653   81.265   8.6605   73.126   11.806   90.746   12.743  160.584   13.606  179.160   13.162 -18.57564 18.93068 
1 1 1  -15   31    6 o   61.402   16.380   9.7623   7.4223   7.4662   10.016   12.559   11.054   56.878   22.324   65.926   23.975 -9.047562 32.75917 
1 1 1  -15   31    7 o   95.301   15.420   28.343   7.7723   24.568   10.565   32.797   11.474   88.044   22.209  102.558   21.397 -14.51427 30.83933 
1 1 1  -15   31    8 o   49.943   14.945   2.7241   6.9167   2.6460   9.2199   2.8246   10.461   48.671   20.517   51.215   21.736 -2.543198 29.88957 
1 1 1  -15   31    9 o   82.397   16.602   21.819   7.8722   17.305   11.085   26.413   11.182   73.895   24.134   90.898   22.804 -17.00298 33.20324 
1 1 1  -15   31   10 o   85.634   21.685   23.024   10.518   26.149   27.514   22.490   11.382   88.026   36.129   83.243   23.991 4.782860 43.36925 
1 1 1  -15   31   11 o  137.406   20.447   59.209   11.235   71.937   28.386   56.845   12.235  134.914   37.555  139.897   16.184 -4.982971 40.89410 
1 1 1  -15   31   12 o   64.767   19.356   6.1041   9.3193   3.5194   10.321   17.514   21.685   51.618   21.731   77.916   32.038 -26.29794 38.71251 
1 1 1  -15   31   13 o   76.995   20.071   10.516   9.6679   3.0929   10.840   39.369   21.372   51.930   22.086  102.061   33.520 -50.13062 40.14177 
1 1 1  -15   31   14 o   46.276   14.662  -2.3330   7.6975   1.4793   10.243  -7.2803   11.668   48.936   21.149   43.616   20.314 5.319706 29.32470 
1 1 1  -15   31   15 o   95.869   15.501   28.903   7.9627   20.709   10.780   38.741   11.812   79.846   23.445  111.891   20.284 -32.04568 31.00173 
1 1 1  -15   31   16 o   63.195   16.758   10.789   7.8667   6.9230   10.930   14.943   11.331   56.929   22.992   69.461   24.387 -12.53163 33.51653 
1 1 1  -15   31   17 o   78.709   17.159   20.195   8.1157   23.644   11.443   16.704   11.512   84.974   23.913   72.444   24.616 12.52992 34.31894 
1 1 1  -15   31   18 o   65.870   16.678   11.532   8.0464   3.5780   11.019   20.618   11.777   52.667   22.328   79.074   24.781 -26.40696 33.35612 
1 1 1  -15   31   19 f   69.311   17.124   15.037   7.9250   12.641   10.921   17.703   11.518   64.992   23.801   73.629   24.625 -8.636978 34.24737 
1 1 1  -15   31   20 f   31.134   15.524 -24.2482   10.517 -24.2482   10.517   0.0000   0.0000   31.134   15.524  ?   ?       ?      ? 
1 1 1  -15   31   21 o   44.162   14.308  -4.2671   7.6885  -6.2795   10.437  -1.8796   11.369   41.305   19.229   47.019   21.192 -5.713837 28.61537 
1 1 1  -15   31   22 o   91.037   16.210   27.799   8.0193   31.048   10.762   23.742   12.025   98.613   20.848   83.461   24.828 15.15150 32.42078 
1 1 1  -15   31   23 o  114.129   14.715   41.905   8.6725   54.474   12.265   29.337   12.264  135.214   16.787   93.044   24.174 42.16994 29.43094 
1 1 1  -15   31   24 o   70.635   15.800   14.344   8.0208   0.7418   11.107   29.166   11.595   48.508   21.463   92.762   23.193 -44.25332 31.60032 
1 1 1  -15   31   25 o   75.962   16.999   20.312   7.8214   20.673   10.927   19.932   11.200   76.741   23.840   75.183   24.237 1.558495 33.99714 
1 1 1  -15   31   26 o   41.165   13.610  -7.9947   7.7126 -15.3933   10.768  -0.1993   11.053   35.345   17.247   46.986   21.059 -11.64104 27.22050 
1 1 1  -15   31   27 o   45.435   14.335  -5.7197   7.8794 -18.5590   11.021   7.7069   11.270   34.404   16.924   56.466   23.143 -22.06131 28.67078 
1 1 1  -15   31   28 o   96.141   16.497   31.382   8.5512   37.399   12.357   25.854   11.845  106.179   22.250   86.103   24.364 20.07681 32.99477 
1 1 1  -15   31   29 o   44.395   14.458  -4.8534   8.1297  -9.7255   11.524  -0.0263   11.470   40.561   19.285   48.230   21.547 -7.669689 28.91625 
1 1 1  -15   31   30 o   57.700   18.172 -12.0305   10.619   29.527   21.012 -26.2858   12.307   81.922   32.276   33.477   16.708 48.44547 36.34448 
1 1 1  -15   31   31 o   52.590   25.333  -6.1982   21.354  -6.1982   21.354   0.0000   0.0000   52.590   25.333  ?   ?       ?      ? 
1 1 1  -15   31   33 o   57.035   24.632   8.4189   13.873   8.4189   13.873   0.0000   0.0000   57.035   24.632  ?   ?       ?      ? 
1 1 1  -15   31   34 o   95.794   18.876   40.557   10.935   48.423   13.949   28.018   17.611  114.937   23.258   76.652   29.736 38.28539 37.75139 
1 1 1  -15   31   35 o   45.352   15.148  -3.9508   9.9648   1.9840   12.805 -13.0631   15.867   47.976   21.961   42.728   20.870 5.247326 30.29529 
1 1 1  -15   32    1 o   54.194   13.972   6.7146   6.2476  -6.2162   10.628   13.542   7.7229   42.222   19.569   66.166   19.946 -23.94447 27.94316 
1 1 1  -15   32    2 o  138.270   10.723   56.021   7.8542   61.642   10.532   48.979   11.789  147.260   13.235  129.279   16.876 17.98065 21.44690 
1 1 1  -15   32    3 o   67.228   15.917   12.138   7.0451   5.8080   9.0496   21.877   11.225   52.615   21.036   81.840   23.893 -29.22552 31.83410 
1 1 1  -15   32    4 o   42.504   13.727  -4.2495   6.8667  -5.9256   8.8671  -1.7386   10.853   38.285   17.790   46.723   20.910 -8.437683 27.45356 
1 1 1  -15   32    5 o   52.293   15.215   3.5728   7.0476  -0.9251   9.3908   9.3728   10.664   44.486   19.707   60.099   23.188 -15.61298 30.43073 
1 1 1  -15   32    6 o   84.666   16.769   23.294   7.9951   20.559   10.983   26.379   11.662   79.454   23.749   89.878   23.680 -10.42424 33.53740 
1 1 1  -15   32    7 o  131.343   12.209   50.745   8.6581   49.544   11.964   52.066   12.545  129.846   17.052  132.840   17.477 -2.994781 24.41724 
1 1 1  -15   32    8 o   49.313   15.272   0.6629   7.7447   1.4966   10.379  -0.3844   11.633   49.149   21.266   49.478   21.925 -0.3287582 30.54374 
1 1 1  -15   32    9 f  103.377   22.812   34.417   12.401   0.0000   0.0000   34.417   12.401  ?   ?   103.377   22.812      ?      ? 
1 1 1  -15   32   10 o   58.553   15.914   6.5848   7.9827   16.419   10.944  -4.5956   11.669   71.529   24.004   45.578   20.900 25.95076 31.82739 
1 1 1  -15   32   11 o   78.794   21.283   19.907   10.771   18.106   27.898   20.222   11.676   79.650   34.663   77.939   24.707 1.711174 42.56693 
1 1 1  -15   32   12 o   82.681   22.882   18.474   11.224   40.856   29.660   14.733   12.126   96.761   38.275   68.602   25.086 28.15890 45.76390 
1 1 1  -15   32   13 o   83.512   20.353   23.155   10.257   20.512   12.022   30.225   19.665   77.917   25.109   89.106   32.039 -11.18836 40.70575 
1 1 1  -15   32   14 o   71.496   18.903   16.591   9.4597   18.266   10.883   11.414   19.135   74.197   23.888   68.796   29.303 5.400734 37.80602 
1 1 1  -15   32   15 o  112.396   14.377   39.683   8.4589   41.508   11.420   37.464   12.591  117.444   17.995  107.349   22.428 10.09538 28.75480 
1 1 1  -15   32   16 f  139.546   11.868   57.680   8.8110   45.781   12.104   71.094   12.851  123.166   18.186  155.925   15.253 -32.75898 23.73545 
1 1 1  -15   32   17 o   68.750   17.365   15.295   8.2020   17.010   11.223   13.330   12.017   71.618   24.306   65.882   24.808 5.736374 34.73045 
1 1 1  -15   32   18 o   61.911   17.110   11.004   8.3087   12.043   11.425   9.8374   12.105   63.205   24.097   60.617   24.296 2.588135 34.21899 
1 1 1  -15   32   19 o   71.234   17.418   17.155   8.2273   13.323   11.174   21.692   12.158   64.414   23.987   78.055   25.262 -13.64129 34.83612 
1 1 1  -15   32   20 o  192.610   13.005  107.806   13.536   0.0000   0.0000  107.806   13.536  ?   ?   192.610   13.005      ?      ? 
1 1 1  -15   32   21 o   47.903   14.889  -2.1005   7.8593 -11.2099   10.569   9.1696   11.755   37.356   17.951   58.450   23.759 -21.09353 29.77815 
1 1 1  -15   32   22 o   41.442   13.924  -9.6028   8.4327 -10.8808   11.493  -8.1125   12.411   39.639   18.960   43.245   20.397 -3.605812 27.84825 
1 1 1  -15   32   23 o   65.344   17.268   13.613   8.1597   12.468   10.919   15.061   12.279   63.138   23.673   67.550   25.148 -4.412354 34.53678 
1 1 1  -15   32   24 o  105.893   15.294   38.095   8.5722   49.885   11.731   24.586   12.557  128.635   16.877   83.150   25.511 45.48492 30.58858 
1 1 1  -15   32   25 o   68.336   18.165   15.737   9.4885   20.112   11.957   8.2950   15.594   75.435   25.086   61.238   26.277 14.19672 36.32912 
1 1 1  -15   32   26 o   65.601   18.163   11.425   9.1563   4.2196   11.194   25.991   15.916   51.185   22.116   80.017   28.818 -28.83163 36.32591 
1 1 1  -15   32   27 o   60.545   26.496   12.020   16.501   0.0000   0.0000   12.020   16.501  ?   ?    60.545   26.496      ?      ? 
1 1 1  -15   32   31 o   66.408   17.159   15.938   10.258   31.689   13.280  -7.3716   16.154   86.600   26.167   46.216   22.204 40.38430 34.31800 
1 1 1  -15   32   32 o   51.200   15.906   6.0670   8.6809   10.736   11.945   0.8409   12.637   55.681   23.406   46.719   21.543 8.962414 31.81114 
1 1 1  -15   33    1 o   99.965   12.798   30.525   6.7155   30.541   10.080   30.512   9.0049   98.491   19.629  101.438   16.428 -2.946159 25.59663 
1 1 1  -15   33    2 o   68.519   14.732   15.359   6.1274   10.874   9.4881   18.568   8.0253   60.558   22.183   76.480   19.392 -15.92227 29.46415 
1 1 1  -15   33    3 o   65.873   16.467   13.338   7.1466   11.788   9.0611   15.889   11.625   61.951   21.804   69.795   24.682 -7.844261 32.93359 
1 1 1  -15   33    4 o   64.053   16.437   12.204   7.1653   10.352   9.0729   15.274   11.681   59.329   21.699   68.776   24.696 -9.446903 32.87461 
1 1 1  -15   33    5 o   83.734   15.778   24.021   7.7455   31.931   10.398   14.159   11.610  100.533   19.844   66.936   24.536 33.59645 31.55636 
1 1 1  -15   33    6 o   69.725   16.075   15.607   7.8234   23.985   10.408   4.7252   11.862   85.084   22.349   54.365   23.112 30.71886 32.15019 
1 1 1  -15   33    7 o   51.967   15.726   3.6386   7.7568   3.1189   10.122   4.3783   12.074   49.764   21.257   54.169   23.180 -4.404766 31.45105 
1 1 1  -15   33    8 o   73.131   16.509   16.179   7.7762   7.9504   10.126   28.008   12.141   56.075   22.306   90.187   24.345 -34.11275 33.01869 
1 1 1  -15   33    9 o   65.054   16.310   12.684   8.2300   21.653   10.783   0.1685   12.737   79.516   23.477   50.591   22.646 28.92551 32.61907 
1 1 1  -15   33   10 o   41.197   13.705  -7.1675   7.6482  -7.6692   9.8693  -6.4134   12.101   38.449   18.151   43.944   20.540 -5.495323 27.41095 
1 1 1  -15   33   11 o   45.904   14.609  -5.8128   7.9559 -15.7669   10.491   7.6591   12.205   34.604   16.916   57.203   23.824 -22.59907 29.21889 
1 1 1  -15   33   12 o   88.251   20.943   31.668   11.446   27.140   25.388   32.823   12.824   80.155   33.931   96.346   24.558 -16.19059 41.88593 
1 1 1  -15   33   13 o   74.403   18.933   21.562   11.749 -15.9099   27.322   30.064   13.014   57.772   28.028   91.035   25.460 -33.26348 37.86504 
1 1 1  -15   33   14 o   61.652   18.946   5.1259   9.5985   0.8693   10.757   21.759   21.264   47.571   21.081   75.734   31.486 -28.16248 37.89198 
1 1 1  -15   33   15 o  109.839   18.353   47.874   10.442   53.231   12.108   32.320   20.631  132.427   16.920   87.251   32.574 45.17632 36.70595 
1 1 1  -15   33   16 o   42.870   13.948 -13.4002   8.1145 -29.8023   10.949   6.5887   12.087   29.709   14.957   56.031   23.548 -26.32189 27.89676 
1 1 1  -15   33   17 o   59.179   25.871   5.6959   15.697   0.0000   0.0000   5.6959   15.697  ?   ?    59.179   25.871      ?      ? 
1 1 1  -15   33   18 o   97.539   17.522   35.713   10.058   44.362   12.656   20.883   16.572  119.110   19.663   75.967   29.007 43.14288 35.04345 
1 1 1  -15   33   19 o   54.569   17.257   1.7420   10.371   3.8514   13.336  -1.4851   16.495   54.756   23.895   54.381   24.904 0.3748398 34.51352 
1 1 1  -15   33   20 o   55.952   17.021   2.9655   10.227   13.750   13.425 -11.9482   15.787   65.472   25.798   46.432   22.213 19.04039 34.04283 
1 1 1  -15   33   21 o   78.022   19.906   24.645   10.741   25.405   13.887   23.514   16.943   80.346   27.039   75.697   29.222 4.648254 39.81242 
1 1 1  -15   33   22 f  127.521   17.677   62.210   11.626   66.149   15.142   56.554   18.145  139.735   20.054  115.306   29.116 24.42966 35.35415 
1 1 1  -15   33   23 o   51.301   16.444   0.7479   9.6588  -7.4685   12.243   14.291   15.718   41.081   19.628   61.520   26.390 -20.43958 32.88850 
1 1 1  -15   33   24 o   42.884   20.983 -16.7500   16.254   0.0000   0.0000 -16.7500   16.254  ?   ?    42.884   20.983      ?      ? 
1 1 1  -15   33   26 o   53.406   25.234  -1.5991   19.150   0.0000   0.0000  -1.5991   19.150  ?   ?    53.406   25.234      ?      ? 
1 1 1  -15   33   27 o   57.745   19.123   2.5638   14.895   24.482   22.980 -13.3153   19.560   68.456   30.546   47.034   23.015 21.42200 38.24577 
1 1 1  -15   33   28 o   64.964   16.533   16.515   8.5571   26.807   11.528   3.8819   12.771   80.583   24.386   49.344   22.330 31.23955 33.06530 
1 1 1  -15   34    1 o   66.488   17.949   14.195   9.1183   17.169   12.101   10.288   13.870   70.815   25.168   62.161   25.599 8.653450 35.89844 
1 1 1  -15   34    2 o   70.889   17.476   13.877   9.1806   1.6565   12.158   30.090   14.004   50.971   22.509   90.806   26.738 -39.83500 34.95103 
1 1 1  -15   34    3 o   61.427   17.255   8.6304   9.3179   18.881   13.045  -2.0477   13.314   73.380   26.125   49.474   22.549 23.90582 34.51072 
1 1 1  -15   34    4 o   56.400   16.801   4.2552   8.9258  -2.8266   11.730   13.995   13.757   46.175   21.092   66.625   26.158 -20.45036 33.60227 
1 1 1  -15   34    5 o  141.981   15.632   67.884   10.924   90.856   15.175   43.176   15.738  174.334   16.109  109.627   26.794 64.70644 31.26374 
1 1 1  -15   34    6 o  130.915   15.935   56.583   10.816   59.032   14.366   53.378   16.433  137.693   19.308  124.136   25.355 13.55720 31.87008 
1 1 1  -15   34    7 o  336.830   9.8743  331.678   17.910  344.820   24.704  317.117   26.003  345.122   13.247  328.537   14.647 16.58481 19.74869 
1 1 1  -15   34    8 o  260.962   10.531  199.188   14.732  189.820   19.470  211.734   22.531  254.907   14.135  267.017   15.615 -12.11061 21.06254 
1 1 1  -15   34    9 o  153.197   15.204   59.949   11.446   12.113   13.614  175.293   21.140   64.248   25.761  242.145   16.156 -177.8965 30.40789 
1 1 1  -15   34   10 o   46.614   15.576 -10.0877   10.565  -2.7162   13.631 -21.1779   16.720   49.419   22.635   43.809   21.403 5.609352 31.15139 
1 1 1  -15   34   11 o   67.178   17.541   9.7761   10.698   29.324   14.395 -14.3401   15.989   88.654   27.334   45.702   21.991 42.95204 35.08227 
1 1 1  -15   34   12 o   58.731   17.957   4.0586   10.275  -3.3333   12.907   16.849   16.978   47.344   21.809   70.118   28.534 -22.77426 35.91414 
1 1 1  -15   34   13 o   66.951   27.876   14.840   16.703   0.0000   0.0000   14.840   16.703  ?   ?    66.951   27.876      ?      ? 
1 1 1  -15   34   14 o   46.285   22.167  -9.8446   15.820   0.0000   0.0000  -9.8446   15.820  ?   ?    46.285   22.167      ?      ? 
1 1 1  -15   34   15 o   59.012   24.814   11.376   13.433   11.376   13.433   0.0000   0.0000   59.012   24.814  ?   ?       ?      ? 
1 1 1  -15   34   16 o   51.473   23.061   4.6802   13.240   4.6802   13.240   0.0000   0.0000   51.473   23.061  ?   ?       ?      ? 
1 1 1  -15   34   17 o   63.600   17.081   12.817   9.1417   27.860   13.431  -0.1656   12.478   80.581   26.578   46.620   21.464 33.96126 34.16280 
1 1 1  -15   34   18 o   55.204   16.731   7.0818   9.1467   13.773   13.159   0.8282   12.722   61.969   25.158   48.439   22.064 13.52947 33.46204 
1 1 1  -15   34   19 o   42.434   14.078  -5.4541   8.2564  -1.7004   11.052 -10.1944   12.420   44.279   20.317   40.590   19.493 3.688992 28.15601 
1 1 1  -15   34   20 o   60.500   16.896   9.8567   8.7341   0.1984   11.656   22.225   13.190   46.777   21.234   74.223   26.287 -27.44601 33.79141 
1 1 1  -15   34   21 o   54.609   17.497   4.6798   11.634 -14.8356   22.677   11.651   13.554   50.216   24.615   59.002   24.874 -8.785706 34.99478 
1 1 1  -15   34   22 o   99.950   21.721   54.741   15.416   29.595   23.596   73.468   20.363   71.587   31.497  128.312   29.920 -56.72521 43.44205 
1 1 1  -15   34   23 o   71.980   20.354   18.754   15.471 -20.9257   22.450   54.640   21.349   46.510   23.107   97.450   33.516 -50.94044 40.70892 
1 1 1  -15   35    1 o   38.836   12.779  -7.2622   6.5279   4.4842   10.304 -15.1365   8.4368   48.439   21.073   29.232   14.460 19.20647 25.55717 
1 1 1  -15   35    2 o  119.890   12.255   44.773   7.6909   54.144   12.926   39.638   9.5689  127.526   18.758  112.254   15.775 15.27213 24.50942 
1 1 1  -15   35    3 o   59.928   16.103   12.704   6.9583   14.423   11.907   11.813   8.5749   61.868   24.322   57.988   21.112 3.879822 32.20644 
1 1 1  -15   35    4 o   55.379   15.550   7.1005   6.9890   19.032   11.824   0.6930   8.6648   68.851   24.833   41.907   18.724 26.94371 31.10086 
1 1 1  -15   35    5 o   60.083   16.473   11.105   8.0638   3.1283   10.771   21.279   12.164   47.761   21.134   72.405   25.276 -24.64402 32.94682 
1 1 1  -15   35    6 o   68.368   15.472   16.184   8.0212   29.602   10.891   0.2807   11.858   90.030   22.461   46.706   21.284 43.32339 30.94398 
1 1 1  -15   35    7 o   41.902   13.867  -4.3635   7.8279  -2.0668   10.187  -7.6747   12.232   42.240   19.428   41.565   19.792 0.6749649 27.73375 
1 1 1  -15   35    8 o   45.620   14.643  -2.1101   8.0152  -9.1606   10.867   6.3009   11.869   38.297   18.349   52.944   22.824 -14.64738 29.28575 
1 1 1  -15   35    9 o   51.964   15.591   3.8743   8.2856   13.385   11.462  -6.5365   11.992   61.784   23.983   42.143   19.930 19.64119 31.18294 
1 1 1  -15   35   10 o   68.828   17.284   16.351   8.2777   9.2946   10.749   26.634   12.975   55.858   22.714   81.798   26.058 -25.93977 34.56814 
1 1 1  -15   35   11 o   66.729   16.967   13.043   8.7919   0.5622   11.598   29.908   13.481   47.075   21.293   86.383   26.422 -39.30802 33.93418 
1 1 1  -15   35   12 o   64.579   25.564   15.588   13.240   0.0000   0.0000   15.588   13.240  ?   ?    64.579   25.564      ?      ? 
1 1 1  -15   35   13 o  104.897   15.873   39.671   9.0297   26.740   12.302   54.775   13.296   81.587   25.288  128.208   19.191 -46.62069 31.74558 
1 1 1  -15   35   14 f   53.102   17.685   1.3770   10.927   9.5428   23.329  -0.9179   12.368   60.383   28.317   45.821   21.193 14.56131 35.36972 
1 1 1  -15   35   15 o   51.817   16.687   3.2834   11.011 -23.7162   23.108   11.213   12.524   46.697   23.239   56.938   23.952 -10.24099 33.37311 
1 1 1  -15   35   16 o   51.330   16.936   3.2099   9.6063   2.4267   10.694   6.4820   21.858   45.893   20.631   56.766   26.864 -10.87270 33.87207 
1 1 1  -14    0    1 o  400.826   5.3325  434.674   16.321  434.674   16.321  434.674   16.321  400.826   7.5413  400.826   7.5413 0.000000 0.000000 
1 1 1  -14    0    2 o  374.343   5.0680  379.136   14.486  379.136   14.486  379.136   14.486  374.343   7.1673  374.343   7.1673 0.000000 0.000000 
1 1 1  -14    0    3 o  1163.90   13.922  3670.89  123.750  3670.89  123.750  3670.89  123.750  1163.90   19.689  1163.90   19.689 0.000000 0.000000 
1 1 1  -14    0    4 o  260.694   4.0498  183.919   8.0593  183.919   8.0593  183.919   8.0593  260.694   5.7273  260.694   5.7273 0.000000 0.000000 
1 1 1  -14    0    5 o  744.462   9.0980  1500.11   51.725  1500.11   51.725  1500.11   51.725  744.462   12.867  744.462   12.867 0.000000 0.000000 
1 1 1  -14    0    6 o  573.444   7.1945  889.810   31.506  889.810   31.506  889.810   31.506  573.444   10.175  573.444   10.175 0.000000 0.000000 
1 1 1  -14    0    7 o  598.336   7.4742  968.783   34.152  968.783   34.152  968.783   34.152  598.336   10.570  598.336   10.570 0.000000 0.000000 
1 1 1  -14    0    8 o  310.215   4.5149  260.396   10.693  260.396   10.693  260.396   10.693  310.215   6.3851  310.215   6.3851 0.000000 0.000000 
1 1 1  -14    0    9 o  195.516   3.7493  103.526   5.5926  103.526   5.5926  103.526   5.5926  195.516   5.3023  195.516   5.3023 0.000000 0.000000 
1 1 1  -14    0   10 o  593.440   7.4349  953.026   33.693  953.026   33.693  953.026   33.693  593.440   10.514  593.440   10.514 0.000000 0.000000 
1 1 1  -14    0   11 o  191.102   3.7841   98.920   5.5165   98.920   5.5165   98.920   5.5165  191.102   5.3515  191.102   5.3515 0.000000 0.000000 
1 1 1  -14    0   12 o   15.708   7.4457  -0.9782   2.5001  -0.9782   2.5001  -0.9782   2.5001   15.708   10.530   15.708   10.530 0.000000 0.000000 
1 1 1  -14    0   13 o  920.739   11.131  2296.15   78.266  2296.15   78.266  2296.15   78.266  920.739   15.741  920.739   15.741 0.000000 0.000000 
1 1 1  -14    0   14 o  121.733   6.1874   40.676   5.6877   40.676   5.6877   40.676   5.6877  121.733   8.7503  121.733   8.7503 0.000000 0.000000 
1 1 1  -14    0   17 f  188.831   3.9837   96.619   5.7371   96.619   5.7371   96.619   5.7371  188.831   5.6338  188.831   5.6338 0.000000 0.000000 
1 1 1  -14    0   18 o  340.145   4.9177  313.093   12.771  313.093   12.771  313.093   12.771  340.145   6.9547  340.145   6.9547 0.000000 0.000000 
1 1 1  -14    0   19 o  870.887   10.590  2054.03   70.432  2054.03   70.432  2054.03   70.432  870.887   14.976  870.887   14.976 0.000000 0.000000 
1 1 1  -14    0   20 o  228.832   4.2495  141.804   7.4196  141.804   7.4196  141.804   7.4196  228.832   6.0097  228.832   6.0097 0.000000 0.000000 
1 1 1  -14    0   21 o  268.892   4.4454  195.716   9.1234  195.716   9.1234  195.716   9.1234  268.892   6.2868  268.892   6.2868 0.000000 0.000000 
1 1 1  -14    0   22 f  355.474   5.1457  341.935   13.965  341.935   13.965  341.935   13.965  355.474   7.2772  355.474   7.2772 0.000000 0.000000 
1 1 1  -14    0   23 o  330.401   4.9828  295.423   12.568  295.423   12.568  295.423   12.568  330.401   7.0468  330.401   7.0468 0.000000 0.000000 
1 1 1  -14    0   24 o  314.379   4.8637  267.478   11.672  267.478   11.672  267.478   11.672  314.379   6.8783  314.379   6.8783 0.000000 0.000000 
1 1 1  -14    0   25 o   68.924   8.8759   14.050   4.2159   14.050   4.2159   14.050   4.2159   68.924   12.552   68.924   12.552 0.000000 0.000000 
1 1 1  -14    0   26 o  743.574   9.1913  1496.24   52.192  1496.24   52.192  1496.24   52.192  743.574   12.999  743.574   12.999 0.000000 0.000000 
1 1 1  -14    0   27 o  415.387   5.8044  466.858   18.409  466.858   18.409  466.858   18.409  415.387   8.2086  415.387   8.2086 0.000000 0.000000 
1 1 1  -14    0   28 o  612.904   7.8082  1016.45   36.545  1016.45   36.545  1016.45   36.545  612.904   11.042  612.904   11.042 0.000000 0.000000 
1 1 1  -14    0   29 o  599.633   7.6540  972.914   35.047  972.914   35.047  972.914   35.047  599.633   10.824  599.633   10.824 0.000000 0.000000 
1 1 1  -14    0   30 o  540.622   7.1060  790.838   29.335  790.838   29.335  790.838   29.335  540.622   10.049  540.622   10.049 0.000000 0.000000 
1 1 1  -14    0   31 f  680.790   8.5599  1254.25   44.501  1254.25   44.501  1254.25   44.501  680.790   12.105  680.790   12.105 0.000000 0.000000 
1 1 1  -14    0   32 o  370.979   5.6907  372.486   16.116  372.486   16.116  372.486   16.116  370.979   8.0479  370.979   8.0479 0.000000 0.000000 
1 1 1  -14    0   33 o  484.838   6.6252  636.141   24.526  636.141   24.526  636.141   24.526  484.838   9.3694  484.838   9.3694 0.000000 0.000000 
1 1 1  -14    0   34 o  1025.56   12.443  2849.58   97.453  2849.58   97.453  2849.58   97.453  1025.56   17.597  1025.56   17.597 0.000000 0.000000 
1 1 1  -14    0   36 o  402.506   6.1732  438.566   18.968  438.566   18.968  438.566   18.968  402.506   8.7302  402.506   8.7302 0.000000 0.000000 
1 1 1  -14    0   37 o  310.231   5.8544  260.710   13.857  260.710   13.857  260.710   13.857  310.231   8.2794  310.231   8.2794 0.000000 0.000000 
1 1 1  -14    0   38 f  178.658   7.2351   87.154   9.8039   87.154   9.8039   87.154   9.8039  178.658   10.232  178.658   10.232 0.000000 0.000000 
1 1 1  -14    0   39 o  404.783   6.2722  443.646   19.381  443.646   19.381  443.646   19.381  404.783   8.8703  404.783   8.8703 0.000000 0.000000 
1 1 1  -14    0   40 o  252.976   5.9153  173.591   11.407  173.591   11.407  173.591   11.407  252.976   8.3655  252.976   8.3655 0.000000 0.000000 
1 1 1  -14    0   41 o  278.578   5.7088  210.373   12.130  210.373   12.130  210.373   12.130  278.578   8.0735  278.578   8.0735 0.000000 0.000000 
1 1 1  -14    0   42 o   22.040   11.031  -9.7480   7.6590  -9.7480   7.6590  -9.7480   7.6590   22.040   15.601   22.040   15.601 0.000000 0.000000 
1 1 1  -14    0   43 o  229.019   6.0954  142.469   10.634  142.469   10.634  142.469   10.634  229.019   8.6203  229.019   8.6203 0.000000 0.000000 
1 1 1  -14    0   47 o  195.173   6.2598  103.789   9.2927  103.789   9.2927  103.789   9.2927  195.173   8.8527  195.173   8.8527 0.000000 0.000000 
1 1 1  -14    0   48 o   40.372   15.915   6.1068   7.3042   6.1068   7.3042   6.1068   7.3042   40.372   22.507   40.372   22.507 0.000000 0.000000 
1 1 1  -14    0   49 o  113.335   9.2075   36.254   7.7015   36.254   7.7015   36.254   7.7015  113.335   13.021  113.335   13.021 0.000000 0.000000 
1 1 1  -14    0   50 o  414.193   6.1845  465.663   19.556  465.663   19.556  465.663   19.556  414.193   8.7463  414.193   8.7463 0.000000 0.000000 
1 1 1  -14    0   51 f  268.324   5.6313  195.631   11.524  195.631   11.524  195.631   11.524  268.324   7.9639  268.324   7.9639 0.000000 0.000000 
1 1 1  -14    0   52 o   53.047   17.045   11.310   7.4766   11.310   7.4766   11.310   7.4766   53.047   24.106   53.047   24.106 0.000000 0.000000 
1 1 1  -14    0   53 o   75.577   14.235   18.659   7.1039   18.659   7.1039   18.659   7.1039   75.577   20.132   75.577   20.132 0.000000 0.000000 
1 1 1  -14    0   54 o  240.450   5.8714  157.520   10.760  157.520   10.760  157.520   10.760  240.450   8.3034  240.450   8.3034 0.000000 0.000000 
1 1 1  -14    0   55 o  300.903   5.6024  246.334   12.862  246.334   12.862  246.334   12.862  300.903   7.9230  300.903   7.9230 0.000000 0.000000 
1 1 1  -14    0   56 o  395.570   6.1398  426.289   18.540  426.289   18.540  426.289   18.540  395.570   8.6829  395.570   8.6829 0.000000 0.000000 
1 1 1  -14    0   57 o   30.642   13.760   1.1842   7.0144   1.1842   7.0144   1.1842   7.0144   30.642   19.459   30.642   19.459 0.000000 0.000000 
1 1 1  -14    0   58 o  149.999   7.8962   62.618   8.9359   62.618   8.9359   62.618   8.9359  149.999   11.167  149.999   11.167 0.000000 0.000000 
1 1 1  -14    0   59 o  221.551   6.0730  134.394   10.247  134.394   10.247  134.394   10.247  221.551   8.5886  221.551   8.5886 0.000000 0.000000 
1 1 1  -14    0   60 o  223.087   6.1067  136.417   10.375  136.417   10.375  136.417   10.375  223.087   8.6362  223.087   8.6362 0.000000 0.000000 
1 1 1  -14    0   61 o  111.937   10.061   36.394   8.2274   36.394   8.2274   36.394   8.2274  111.937   14.229  111.937   14.229 0.000000 0.000000 
1 1 1  -14    0   62 o  188.736   6.6372   98.238   9.5189   98.238   9.5189   98.238   9.5189  188.736   9.3864  188.736   9.3864 0.000000 0.000000 
1 1 1  -14    0   63 o  173.802   7.1271   83.870   9.3933   83.870   9.3933   83.870   9.3933  173.802   10.079  173.802   10.079 0.000000 0.000000 
1 1 1  -14    0   64 o  163.837   7.5526   75.132   9.3639   75.132   9.3639   75.132   9.3639  163.837   10.681  163.837   10.681 0.000000 0.000000 
1 1 1  -14    0   65 o   51.092   18.078   11.828   8.6255   11.828   8.6255   11.828   8.6255   51.092   25.566   51.092   25.566 0.000000 0.000000 
1 1 1  -14    0   66 o  220.594   6.9521  134.951   11.667  134.951   11.667  134.951   11.667  220.594   9.8317  220.594   9.8317 0.000000 0.000000 
1 1 1  -14    0   67 o  315.705   9.2663  286.261   22.268  286.261   22.268  286.261   22.268  315.705   13.105  315.705   13.105 0.000000 0.000000 
1 1 1  -14    0   68 o   85.304   22.520   31.667   13.677   31.667   13.677   31.667   13.677   85.304   31.848   85.304   31.848 0.000000 0.000000 
1 1 1  -14    1    1 o  602.346   7.4927  981.214   24.383  968.508   34.089  994.526   34.892  598.358   10.543  606.334   10.649 -7.976379 14.98538 
1 1 1  -14    1    2 o  661.688   8.1509  1184.65   29.144  1184.37   41.228  1184.93   41.203  661.610   11.532  661.766   11.522 -0.1558228 16.30186 
1 1 1  -14    1    3 o  508.623   6.4725  699.291   17.783  710.703   25.552  688.570   24.766  512.642   9.2240  504.604   9.0826 8.038300 12.94509 
1 1 1  -14    1    4 o  252.880   3.9930  172.838   5.4564  172.343   7.7168  173.333   7.7162  252.518   5.6553  253.242   5.6387 -0.7248077 7.986070 
1 1 1  -14    1    5 o  612.543   7.6164  1015.01   25.209  1010.01   35.509  1020.09   35.796  611.022   10.755  614.063   10.788 -3.040894 15.23277 
1 1 1  -14    1    6 o  946.913   11.412  2428.99   58.384  2458.15   83.585  2401.20   81.585  952.445   16.240  941.381   16.038 11.06384 22.82496 
1 1 1  -14    1    7 o  475.351   6.1373  611.011   15.764  612.585   22.371  609.458   22.218  475.959   8.6981  474.744   8.6607 1.214691 12.27452 
1 1 1  -14    1    8 o  312.473   4.5418  263.822   7.6671  258.777   10.706  269.134   10.986  309.408   6.4032  315.538   6.4429 -6.130127 9.083596 
1 1 1  -14    1    9 o  553.529   6.9845  828.728   20.890  832.894   29.704  824.651   29.385  554.903   9.9064  552.154   9.8486 2.749084 13.96896 
1 1 1  -14    1   10 o  620.299   7.7243  1040.56   25.882  1023.24   36.026  1059.05   37.207  614.971   10.841  625.626   11.006 -10.65491 15.44855 
1 1 1  -14    1   11 o  336.239   4.7832  305.625   8.6906  304.405   12.260  306.858   12.321  335.564   6.7611  336.913   6.7678 -1.349548 9.566360 
1 1 1  -14    1   12 o  332.481   4.7649  298.801   8.5600  295.929   12.010  301.767   12.204  330.858   6.7174  334.104   6.7598 -3.246338 9.529890 
1 1 1  -14    1   13 o  114.800   4.2422   35.713   2.6251   37.820   3.6653   33.494   3.7613  118.287   5.7344  111.314   6.2532 6.973625 8.484447 
1 1 1  -14    1   14 o  1033.47   24.977  2909.91  139.487   0.0000   0.0000  2909.91  139.487  ?   ?   1033.47   24.977      ?      ? 
1 1 1  -14    1   17 o  268.664   4.3905  194.468   6.3618  184.667   8.6743  205.876   9.3584  261.365   6.1418  275.963   6.2757 -14.59827 8.781047 
1 1 1  -14    1   18 o  390.076   5.3682  411.331   11.314  416.870   16.177  406.027   15.828  392.645   7.6244  387.507   7.5591 5.137421 10.73647 
1 1 1  -14    1   19 o  271.374   4.4164  198.975   6.4746  194.095   9.0375  204.120   9.2803  267.958   6.2416  274.791   6.2499 -6.832550 8.832809 
1 1 1  -14    1   20 o  480.293   6.3014  622.930   16.337  644.010   23.786  604.107   22.477  487.967   9.0206  472.620   8.8011 15.34695 12.60283 
1 1 1  -14    1   21 o  435.828   5.8606  513.218   13.795  501.871   19.134  525.500   19.906  430.818   8.2191  440.837   8.3566 -10.01898 11.72119 
1 1 1  -14    1   22 o  556.862   7.1122  838.427   21.396  826.156   29.844  851.405   30.690  552.674   9.9930  561.049   10.123 -8.374023 14.22441 
1 1 1  -14    1   23 f  121.578   5.1045   39.931   3.3460   40.343   4.9101   39.574   4.5718  122.160   7.4382  120.995   6.9925 1.164864 10.20893 
1 1 1  -14    1   24 o  546.723   7.0227  808.098   20.742  796.814   28.945  820.010   29.738  542.804   9.8685  550.641   9.9943 -7.837341 14.04538 
1 1 1  -14    1   25 o  596.920   7.5693  963.667   24.415  961.021   34.477  966.328   34.579  596.098   10.703  597.741   10.706 -1.643433 15.13858 
1 1 1  -14    1   26 o  290.103   4.8269  227.462   7.5663  228.262   10.763  226.680   10.638  290.607   6.8542  289.599   6.7981 1.007843 9.653740 
1 1 1  -14    1   27 o  680.034   8.4860  1250.70   31.180  1260.87   44.474  1240.87   43.726  682.748   12.055  677.320   11.947 5.427917 16.97196 
1 1 1  -14    1   28 f  522.386   6.8383  737.787   19.302  744.691   27.496  731.079   27.102  524.794   9.6960  519.978   9.6455 4.816406 13.67654 
1 1 1  -14    1   29 o  1351.74   16.180  4959.36  118.187  4956.02  167.096  4962.71  167.189  1351.29   22.884  1352.20   22.881 -0.9124756 32.36079 
1 1 1  -14    1   30 o  344.803   5.4247  321.100   10.101  313.448   13.996  329.421   14.594  340.520   7.6061  349.086   7.7367 -8.565460 10.84937 
1 1 1  -14    1   31 o  322.983   5.3531  282.000   9.3423  282.569   13.160  281.423   13.264  323.312   7.5326  322.654   7.6079 0.6578979 10.70613 
1 1 1  -14    1   32 o  940.966   11.448  2398.52   58.212  2395.16   82.253  2401.90   82.395  940.305   16.188  941.626   16.193 -1.320313 22.89695 
1 1 1  -14    1   33 o  242.670   5.3611  159.239   7.0253  166.855   9.9772  151.749   9.8939  248.429   7.4322  236.911   7.7285 11.51817 10.72227 
1 1 1  -14    1   34 o  1035.81   12.568  2909.44   70.337  2939.04  100.524  2881.03   98.450  1040.95   17.871  1030.67   17.677 10.28088 25.13668 
1 1 1  -14    1   35 o  668.512   8.5133  1208.58   30.734  1183.65   42.559  1235.76   44.431  661.324   11.909  675.700   12.169 -14.37604 17.02667 
1 1 1  -14    1   36 o  429.556   6.3063  499.068   14.638  499.620   20.730  498.518   20.672  429.793   8.9260  429.319   8.9108 0.4732971 12.61256 
1 1 1  -14    1   37 o  258.325   6.0416  180.112   8.4193  166.030   11.646  195.528   12.185  247.765   8.6988  268.885   8.3866 -21.12033 12.08321 
1 1 1  -14    1   38 o  126.250   9.0371   43.122   6.1576   42.178   8.4639   44.183   8.9750  124.790   12.552  127.710   13.005 -2.919945 18.07430 
1 1 1  -14    1   39 o  466.308   6.6436  588.266   16.734  594.465   24.043  582.442   23.306  468.682   9.4936  463.934   9.2964 4.748260 13.28725 
1 1 1  -14    1   40 o  237.965   5.9089  153.142   7.5945  159.957   10.849  146.594   10.635  243.157   8.2570  232.772   8.4547 10.38548 11.81780 
1 1 1  -14    1   41 o   53.612   14.194   5.8031   5.5772   4.3512   7.9788   7.1902   7.7988   51.194   19.972   56.030   20.173 -4.835701 28.38732 
1 1 1  -14    1   42 o  291.635   5.6575  230.187   8.9151  233.803   12.643  226.611   12.573  293.916   7.9605  289.355   8.0411 4.560791 11.31500 
1 1 1  -14    1   43 o  143.324   9.3164   53.749   6.8054   61.892   12.138   50.015   8.2186  150.847   14.891  135.800   11.200 15.04672 18.63281 
1 1 1  -14    1   46 o  283.846   6.9903  214.273   10.089  231.757   17.857  206.075   12.228  291.969   11.318  275.723   8.2069 16.24649 13.98054 
1 1 1  -14    1   47 o  305.221   5.6522  252.140   9.3117  241.721   12.804  263.837   13.567  298.550   7.9366  311.892   8.0498 -13.34225 11.30438 
1 1 1  -14    1   48 o   64.487   11.766   9.4506   5.1764   23.119   7.6240  -2.2397   7.0507   90.443   16.194   38.531   17.072 51.91174 23.53104 
1 1 1  -14    1   49 o  133.143   7.8870   48.337   5.6706   48.707   7.8950   47.943   8.1501  133.692   10.928  132.594   11.375 1.098557 15.77410 
1 1 1  -14    1   50 o   89.484   11.325   22.925   5.2461   16.628   7.4394   29.153   7.3991   75.878   18.346  103.089   13.282 -27.21088 22.64944 
1 1 1  -14    1   51 o   56.298   12.015   6.1867   5.1851  -6.2457   7.5768   17.137   7.1109   35.540   16.491   77.055   17.480 -41.51488 24.03065 
1 1 1  -14    1   52 o   47.081   13.226   3.4783   5.0446   2.4408   7.1096   4.5302   7.1589   45.209   18.438   48.953   18.968 -3.744331 26.45263 
1 1 1  -14    1   53 o  176.676   6.5175   85.203   6.2184   81.088   8.6923   89.517   8.8996  172.285   9.3369  181.068   9.0958 -8.783234 13.03496 
1 1 1  -14    1   54 o  135.998   7.5602   50.740   5.5539   52.257   7.9801   49.316   7.7346  137.965   10.704  134.032   10.679 3.932968 15.12036 
1 1 1  -14    1   55 o  181.870   6.4195   90.416   6.3007   84.178   8.7613   97.097   9.0675  175.337   9.2471  188.402   8.9067 -13.06499 12.83894 
1 1 1  -14    1   56 o  142.051   7.6419   55.708   5.8016   66.895   8.3937   45.474   8.0279  155.938   9.9612  128.164   11.592 27.77380 15.28372 
1 1 1  -14    1   57 o  113.713   8.7885   35.927   5.3930   33.630   7.4297   38.486   7.8405  109.857   12.516  117.570   12.341 -7.712219 17.57696 
1 1 1  -14    1   58 o  153.597   7.2551   65.217   6.0205   66.987   8.5901   63.509   8.4405  155.660   10.213  151.534   10.308 4.126205 14.51027 
1 1 1  -14    1   59 o  332.357   5.8425  303.304   10.489  307.244   15.065  299.596   14.614  334.402   8.3368  330.311   8.1876 4.090607 11.68498 
1 1 1  -14    1   60 o   37.639   12.144  -3.9770   5.5069  -1.9064   7.8891  -5.9446   7.6905   40.011   17.872   35.268   16.448 4.742886 24.28875 
1 1 1  -14    1   61 o   52.944   13.712   6.5154   5.4809   11.892   7.7770   1.2093   7.7256   62.531   20.201   43.358   18.547 19.17247 27.42375 
1 1 1  -14    1   62 o  183.355   6.7988   93.400   6.7350   94.029   9.6278   92.798   9.4249  183.920   9.6875  182.789   9.5420 1.130920 13.59769 
1 1 1  -14    1   63 f  240.414   6.2331  160.177   8.0906  151.914   11.206  169.175   11.693  233.910   8.8659  246.918   8.7637 -13.00777 12.46622 
1 1 1  -14    1   64 o  206.225   6.5736  119.065   7.3244  119.307   10.452  118.832   10.267  206.371   9.3729  206.080   9.2195 0.2918396 13.14726 
1 1 1  -14    1   65 o  139.939   8.9923   56.535   6.7929   59.739   9.6643   53.406   9.5499  144.070   12.414  135.808   13.013 8.261963 17.98466 
1 1 1  -14    1   66 o   39.533   12.859  -3.8691   6.3283  -2.2821   9.0009  -5.4203   8.8990   41.112   18.661   37.954   17.698 3.158455 25.71875 
1 1 1  -14    1   67 o  202.917   9.1794  120.898   9.1831  116.455   10.907  131.712   17.018  200.844   10.050  204.989   15.364 -4.144730 18.35883 
1 1 1  -14    1   68 o  167.697   10.833   81.419   9.8163   0.0000   0.0000   81.419   9.8163  ?   ?   167.697   10.833      ?      ? 
1 1 1  -14    2    1 o  415.293   5.4922  466.286   12.325  466.886   17.477  465.692   17.383  415.558   7.7831  415.028   7.7511 0.5307007 10.98437 
1 1 1  -14    2    2 o  608.331   7.5675  1001.02   24.874  992.950   34.935  1009.31   35.425  605.847   10.671  610.814   10.733 -4.966248 15.13498 
1 1 1  -14    2    3 o  417.900   5.5288  472.047   12.483  465.338   17.471  479.043   17.843  414.868   7.7934  420.931   7.8444 -6.063110 11.05763 
1 1 1  -14    2    4 o  900.943   10.885  2196.45   52.946  2144.80   73.075  2253.52   76.819  889.838   15.197  912.050   15.587 -22.21216 21.76952 
1 1 1  -14    2    5 o  450.794   5.8813  549.266   14.322  557.384   20.568  541.625   19.955  454.023   8.3835  447.565   8.2509 6.458710 11.76269 
1 1 1  -14    2    6 o  368.770   5.0591  367.639   10.081  366.370   14.266  368.905   14.248  368.133   7.1715  369.406   7.1377 -1.272522 10.11817 
1 1 1  -14    2    7 f  265.389   4.1676  190.372   5.9764  190.028   8.4848  190.711   8.4193  265.151   5.9219  265.628   5.8656 -0.4774780 8.335136 
1 1 1  -14    2    8 o  474.903   6.1449  609.818   15.768  604.047   22.143  615.754   22.459  472.625   8.6704  477.181   8.7100 -4.556061 12.28983 
1 1 1  -14    2    9 o   98.882   4.3075   26.429   2.2990   26.434   3.3324   26.425   3.1757   98.889   6.2362   98.875   5.9438 0.1454163E-01 8.615059 
1 1 1  -14    2   10 o  652.153   8.0803  1150.76   28.472  1140.28   39.929  1161.60   40.611  649.136   11.383  655.170   11.471 -6.033997 16.16053 
1 1 1  -14    2   11 o  185.756   3.8186   93.218   3.8321   90.843   5.3547   95.711   5.4864  183.332   5.4052  188.180   5.3954 -4.848068 7.637146 
1 1 1  -14    2   12 o  202.504   3.8958  110.842   4.2629  111.672   6.0250  110.010   6.0322  203.263   5.4855  201.745   5.5333 1.518677 7.791530 
1 1 1  -14    2   13 f  410.907   6.7885  455.180   14.149  452.245   17.228  461.261   24.798  408.964   7.7957  412.850   11.116 -3.886841 13.57696 
1 1 1  -14    2   14 o  449.361   11.871  546.622   28.824   0.0000   0.0000  546.622   28.824  ?   ?   449.361   11.871      ?      ? 
1 1 1  -14    2   16 o  705.812   17.446  1352.03   66.537   0.0000   0.0000  1352.03   66.537  ?   ?   705.812   17.446      ?      ? 
1 1 1  -14    2   17 f  220.785   4.1222  131.694   4.9164  127.150   6.8697  136.465   7.0389  216.882   5.8618  224.687   5.7975 -7.805283 8.244466 
1 1 1  -14    2   18 o  120.209   4.5521   39.110   2.9517   39.962   4.0823   38.175   4.2729  121.586   6.2134  118.832   6.6542 2.753906 9.104105 
1 1 1  -14    2   19 o  481.023   6.2944  625.688   16.359  618.331   22.918  633.331   23.358  478.143   8.8701  483.904   8.9330 -5.761383 12.58875 
1 1 1  -14    2   20 o  466.306   6.1546  587.985   15.507  582.773   21.768  593.355   22.096  464.209   8.6778  468.402   8.7299 -4.192963 12.30913 
1 1 1  -14    2   21 o  929.139   11.259  2338.58   56.518  2309.68   78.922  2369.01   80.975  923.266   15.819  935.012   16.027 -11.74628 22.51897 
1 1 1  -14    2   22 o  449.044   6.0138  545.188   14.592  548.041   20.751  542.398   20.522  450.205   8.5299  447.883   8.4796 2.321960 12.02755 
1 1 1  -14    2   23 o  517.474   6.7100  723.905   18.759  712.698   26.188  735.715   26.883  513.365   9.4404  521.584   9.5381 -8.219055 13.41999 
1 1 1  -14    2   24 o  802.966   9.8376  1745.24   42.685  1746.94   60.451  1743.55   60.281  803.355   13.925  802.578   13.900 0.7777100 19.67530 
1 1 1  -14    2   25 o  1162.95   13.965  3666.03   87.751  3638.12  123.094  3694.87  125.128  1158.46   19.664  1167.43   19.835 -8.966431 27.93018 
1 1 1  -14    2   26 o  976.021   11.811  2579.48   62.290  2583.59   88.251  2575.39   87.933  976.795   16.720  975.247   16.686 1.547485 23.62138 
1 1 1  -14    2   27 o  626.221   7.9071  1060.48   26.755  1053.72   37.588  1067.43   38.092  624.198   11.144  628.243   11.221 -4.044617 15.81414 
1 1 1  -14    2   28 o  608.242   7.7310  999.202   25.384  971.876   34.954  1029.69   36.923  599.464   10.791  617.021   11.074 -17.55737 15.46203 
1 1 1  -14    2   29 o  514.448   6.7972  715.571   18.895  722.747   26.877  708.558   26.568  516.997   9.6206  511.898   9.6047 5.099060 13.59438 
1 1 1  -14    2   30 o  537.128   7.0483  779.351   20.440  761.336   28.213  799.253   29.654  530.607   9.8398  543.648   10.094 -13.04004 14.09667 
1 1 1  -14    2   31 o  403.721   5.8692  440.423   12.797  434.142   17.757  447.210   18.459  400.731   8.2001  406.711   8.3993 -5.980255 11.73840 
1 1 1  -14    2   32 o  605.269   7.7654  990.884   25.395  980.917   35.600  1001.21   36.237  602.173   10.941  608.365   11.023 -6.191833 15.53089 
1 1 1  -14    2   33 o  476.440   6.5320  613.527   16.810  600.812   23.370  627.159   24.198  471.331   9.1757  481.549   9.2992 -10.21738 13.06400 
1 1 1  -14    2   34 o  927.153   11.321  2328.47   56.693  2289.41   78.789  2370.41   81.639  919.120   15.864  935.185   16.155 -16.06482 22.64169 
1 1 1  -14    2   35 o  483.452   6.7028  631.004   17.491  656.369   25.488  608.428   24.046  492.612   9.5751  474.291   9.3822 18.32074 13.40554 
1 1 1  -14    2   36 o  473.125   6.6695  605.502   17.050  603.592   23.939  607.468   24.289  472.371   9.3784  473.879   9.4855 -1.507690 13.33902 
1 1 1  -14    2   37 o  409.627   8.8518  453.838   19.593  453.838   19.593   0.0000   0.0000  409.627   8.8518  ?   ?       ?      ? 
1 1 1  -14    2   38 o  595.506   7.8164  960.004   25.152  954.615   35.434  965.476   35.708  593.823   11.043  597.189   11.065 -3.366211 15.63277 
1 1 1  -14    2   39 o  552.373   7.4004  825.988   22.088  822.322   31.127  829.707   31.350  551.140   10.452  553.606   10.480 -2.466187 14.80072 
1 1 1  -14    2   40 o  480.806   6.7736  624.640   17.577  604.861   24.140  646.959   25.643  472.731   9.4501  488.881   9.7068 -16.15042 13.54720 
1 1 1  -14    2   41 f   57.423   13.392   6.5283   5.5414  -1.6015   7.7308   15.120   7.9472   41.638   18.181   73.208   19.669 -31.56998 26.78484 
1 1 1  -14    2   42 o  374.262   5.9852  379.082   12.103  370.771   16.957  387.711   17.279  370.081   8.4793  378.443   8.4495 -8.362488 11.97049 
1 1 1  -14    2   43 o  378.891   7.3917  383.887   14.153  404.054   25.203  374.598   17.105  385.845   12.088  371.936   8.5106 13.90887 14.78334 
1 1 1  -14    2   46 o  427.189   7.7884  490.622   16.735  510.811   29.981  481.486   20.170  433.052   12.812  421.327   8.8591 11.72519 15.57680 
1 1 1  -14    2   47 o   90.741   11.532   22.962   5.5204   25.632   7.9341   20.456   7.6858   96.726   15.180   84.755   17.365 11.97143 23.06470 
1 1 1  -14    2   48 o  399.279   6.1121  432.563   13.183  424.295   18.343  441.395   18.958  395.348   8.5863  403.210   8.7010 -7.862183 12.22426 
1 1 1  -14    2   49 o  120.517   8.6999   40.043   5.5725   48.604   7.9180   31.641   7.8439  133.535   10.973  107.499   13.503 26.03550 17.39972 
1 1 1  -14    2   50 o  200.717   6.0823  109.399   6.5914  105.604   9.0975  113.592   9.5631  197.068   8.5432  204.367   8.6597 -7.299133 12.16451 
1 1 1  -14    2   51 o  150.035   7.3357   61.417   5.9425   58.015   8.2996   64.995   8.5123  145.750   10.538  154.319   10.208 -8.569122 14.67149 
1 1 1  -14    2   52 o   84.300   11.928   20.330   5.2373   22.868   7.6845   18.128   7.1569   89.386   16.518   79.214   17.212 10.17200 23.85559 
1 1 1  -14    2   53 o  290.035   5.6464  229.071   8.8477  224.143   12.374  234.227   12.656  286.845   7.9829  293.225   7.9877 -6.379761 11.29289 
1 1 1  -14    2   54 o  182.490   8.8150   90.971   8.6926   90.971   8.6926   0.0000   0.0000  182.490   8.8150  ?   ?       ?      ? 
1 1 1  -14    2   55 o  256.768   5.6374  179.960   7.8203  178.579   11.145  181.298   10.976  255.768   8.0642  257.768   7.8798 -2.000000 11.27489 
1 1 1  -14    2   56 o  165.872   6.7207   75.257   6.0111   81.383   8.8389   69.985   8.1990  172.126   9.5030  159.618   9.5059 12.50847 13.44133 
1 1 1  -14    2   57 o  100.195   10.118   28.532   5.4165   25.382   7.9559   31.253   7.3949   94.624   15.560  105.766   12.939 -11.14256 20.23665 
1 1 1  -14    2   58 o   72.020   13.282   15.739   5.3989   10.520   7.7096   20.762   7.5630   60.455   20.146   83.585   17.314 -23.13015 26.56366 
1 1 1  -14    2   59 o  276.801   5.7406  210.214   8.5832  216.815   12.341  204.028   11.946  281.003   8.1271  272.599   8.1097 8.403107 11.48120 
1 1 1  -14    2   60 o  108.459   9.5513   33.279   5.5898   35.601   8.1472   31.214   7.6836  112.043   13.457  104.875   13.558 7.167892 19.10264 
1 1 1  -14    2   61 o  275.910   5.9037  208.619   8.7733  228.663   13.047  192.074   11.854  287.905   8.3862  263.915   8.3118 23.99008 11.80742 
1 1 1  -14    2   62 o   99.672   11.008   28.869   5.9280   28.831   8.4437   28.906   8.3244   99.549   15.697   99.795   15.437 -0.2460251 22.01531 
1 1 1  -14    2   63 o  100.940   10.571   29.514   5.7422   33.457   8.4531   26.136   7.8247  107.347   14.573   94.534   15.318 12.81277 21.14233 
1 1 1  -14    2   64 o  112.450   10.247   37.317   6.2091   34.943   8.8750   39.594   8.6900  108.517   15.135  116.383   13.818 -7.866409 20.49404 
1 1 1  -14    2   65 o   93.340   13.320   28.539   6.5952   39.467   9.1881   16.924   9.4725  115.728   14.693   70.953   22.222 44.77531 26.64040 
1 1 1  -14    2   66 o   71.998   15.204   19.116   7.9277   27.862   9.4293  -1.9739   14.642   92.935   19.403   51.061   23.413 41.87422 30.40809 
1 1 1  -14    2   67 o   69.361   15.541   18.035   6.5604   19.866   9.3414   16.254   9.2155   72.872   21.930   65.849   22.027 7.023651 31.08232 
1 1 1  -14    2   68 o   34.463   11.781 -10.8472   6.7901 -19.6014   11.064  -5.5574   8.6003   32.949   16.344   35.977   16.972 -3.027843 23.56219 
1 1 1  -14    3    1 o  987.363   11.882  2641.89   63.387  2615.92   88.763  2668.92   90.548  982.428   16.720  992.299   16.887 -9.870667 23.76408 
1 1 1  -14    3    2 o  180.883   3.6912   87.925   3.5968   95.084   5.3479   82.013   4.8603  187.567   5.2764  174.199   5.1633 13.36736 7.382395 
1 1 1  -14    3    3 o  668.385   8.2527  1208.77   29.805  1199.93   41.889  1217.84   42.417  665.911   11.641  670.859   11.701 -4.948120 16.50535 
1 1 1  -14    3    4 o  659.881   8.1599  1178.26   29.096  1180.46   41.273  1176.08   41.024  660.492   11.564  659.269   11.516 1.223389 16.31981 
1 1 1  -14    3    5 o  380.899   5.1926  391.814   10.681  380.572   14.789  404.074   15.443  375.195   7.2943  386.603   7.3923 -11.40805 10.38522 
1 1 1  -14    3    6 o  115.329   3.9568   36.079   2.4557   32.632   3.4984   39.427   3.4478  109.878   5.8922  120.781   5.2827 -10.90307 7.913566 
1 1 1  -14    3    7 o  617.628   7.6937  1032.06   25.677  1035.15   36.458  1029.02   36.169  618.544   10.908  616.713   10.853 1.830322 15.38735 
1 1 1  -14    3    8 o  274.392   4.2800  203.129   6.3363  210.143   9.2739  196.987   8.6777  278.824   6.1552  269.960   5.9486 8.864624 8.559950 
1 1 1  -14    3    9 o  897.944   10.871  2184.72   52.747  2178.64   74.407  2190.85   74.784  896.692   15.356  899.195   15.391 -2.503418 21.74158 
1 1 1  -14    3   10 f  184.735   3.8226   92.064   3.8107   95.444   5.5691   89.088   5.2255  187.916   5.4845  181.553   5.3264 6.363297 7.645257 
1 1 1  -14    3   11 f  829.934   10.101  1864.42   45.273  1826.90   62.763  1905.11   65.366  821.258   14.143  838.611   14.425 -17.35284 20.20132 
1 1 1  -14    3   12 o  513.516   6.6093  710.367   18.285  677.939   24.723  749.520   27.166  500.645   9.1387  526.386   9.5505 -25.74115 13.21850 
1 1 1  -14    3   13 o  793.896   13.756  1710.93   58.995  1685.36   82.221  1738.06   84.697  787.814   19.314  799.979   19.593 -12.16443 27.51217 
1 1 1  -14    3   14 o  682.155   16.941  1262.39   62.445   0.0000   0.0000  1262.39   62.445  ?   ?   682.155   16.941      ?      ? 
1 1 1  -14    3   16 o  554.931   9.9741  834.258   29.904  825.000   41.848  843.919   42.748  551.794   14.035  558.069   14.176 -6.274902 19.94818 
1 1 1  -14    3   17 o  286.438   4.5080  221.800   6.9775  221.808   9.8480  221.791   9.8875  286.444   6.3624  286.432   6.3881 0.1168823E-01 9.016030 
1 1 1  -14    3   18 o  649.287   8.0909  1140.90   28.385  1148.35   40.416  1133.66   39.875  651.373   11.483  647.201   11.402 4.172546 16.18182 
1 1 1  -14    3   19 o  361.877   5.1379  353.913   10.045  346.911   14.027  361.284   14.391  358.206   7.2466  365.549   7.2855 -7.343445 10.27581 
1 1 1  -14    3   20 o  399.371   5.4997  431.239   11.869  428.276   16.736  434.237   16.834  397.991   7.7821  400.752   7.7734 -2.760986 10.99941 
1 1 1  -14    3   21 o  417.143   5.6903  470.476   12.826  470.333   18.182  470.618   18.097  417.079   8.0672  417.207   8.0273 -0.1277466 11.38058 
1 1 1  -14    3   22 o  956.418   11.577  2478.33   59.833  2474.09   84.503  2482.59   84.730  955.600   16.365  957.236   16.381 -1.635986 23.15444 
1 1 1  -14    3   23 o  519.069   6.7332  728.466   18.882  736.252   27.018  721.032   26.400  521.777   9.5825  516.362   9.4615 5.415283 13.46645 
1 1 1  -14    3   24 o  827.857   10.118  1855.04   45.258  1842.00   63.580  1868.42   64.436  824.915   14.263  830.799   14.353 -5.884644 20.23503 
1 1 1  -14    3   25 f  857.692   10.463  1991.19   48.494  1994.34   68.733  1988.07   68.429  858.365   14.818  857.018   14.776 1.346497 20.92654 
1 1 1  -14    3   26 o  286.784   4.8483  222.201   7.5087  224.786   10.838  219.815   10.413  288.386   6.9546  285.182   6.7571 3.203369 9.696605 
1 1 1  -14    3   27 o  992.828   12.003  2669.35   64.396  2671.43   91.187  2667.29   90.953  993.211   16.990  992.445   16.960 0.7662964 24.00649 
1 1 1  -14    3   28 o  739.587   9.1643  1479.34   36.612  1456.26   50.968  1503.94   52.626  733.639   12.857  745.535   13.063 -11.89624 18.32862 
1 1 1  -14    3   29 o  265.950   5.0260  191.010   7.2181  186.680   9.9896  195.741   10.441  262.800   7.0345  269.100   7.1805 -6.299957 10.05204 
1 1 1  -14    3   30 f  1079.35   13.018  3156.78   75.921  3180.20  108.191  3134.07  106.565  1083.28   18.483  1075.42   18.338 7.859497 26.03619 
1 1 1  -14    3   31 o  761.089   9.4340  1567.36   38.793  1584.89   55.459  1550.56   54.282  765.249   13.412  756.928   13.271 8.321350 18.86794 
1 1 1  -14    3   32 o  875.301   10.714  2075.06   50.675  2073.01   71.629  2077.10   71.703  874.870   15.152  875.732   15.152 -0.8616333 21.42803 
1 1 1  -14    3   33 o  641.050   8.1632  1111.91   28.274  1101.28   39.616  1122.94   40.365  637.934   11.492  644.166   11.596 -6.231934 16.32640 
1 1 1  -14    3   34 o  295.548   7.9425  236.179   12.685  236.179   12.685   0.0000   0.0000  295.548   7.9425  ?   ?       ?      ? 
1 1 1  -14    3   35 o  250.727   5.8470  170.151   7.9144  175.895   11.090  164.191   11.298  255.049   8.0470  246.406   8.4850 8.642807 11.69405 
1 1 1  -14    3   36 o  638.245   8.2079  1102.63   28.308  1096.47   39.957  1108.85   40.110  636.453   11.618  640.038   11.597 -3.585205 16.41586 
1 1 1  -14    3   37 o  475.801   9.4878  612.424   24.394  612.424   24.394   0.0000   0.0000  475.801   9.4878  ?   ?       ?      ? 
1 1 1  -14    3   38 o  465.487   6.6222  586.305   16.657  585.219   23.572  587.388   23.541  465.056   9.3802  465.919   9.3502 -0.8633728 13.24439 
1 1 1  -14    3   39 o  274.158   5.8736  203.335   8.7002  198.822   12.278  207.887   12.330  271.099   8.3813  277.217   8.2312 -6.117767 11.74727 
1 1 1  -14    3   40 o  420.005   6.2958  476.724   14.278  458.796   19.740  496.395   20.677  411.738   8.8722  428.272   8.9349 -16.53400 12.59161 
1 1 1  -14    3   41 o  523.317   7.0802  741.753   20.020  733.120   28.113  750.636   28.517  520.230   10.000  526.405   10.025 -6.174805 14.16039 
1 1 1  -14    3   42 o  678.774   8.6584  1249.83   31.754  1237.11   44.488  1263.05   45.337  675.264   12.192  682.284   12.297 -7.019836 17.31671 
1 1 1  -14    3   43 o  578.230   10.819  910.106   33.803  916.892   47.908  903.378   47.703  580.383   15.276  576.077   15.324 4.306396 21.63757 
1 1 1  -14    3   45 o  275.168   11.566  205.788   17.197  205.788   17.197   0.0000   0.0000  275.168   11.566  ?   ?       ?      ? 
1 1 1  -14    3   46 o  613.484   9.8231  1033.85   30.934  1004.28   52.308  1049.76   38.361  605.720   15.981  621.249   11.427 -15.52954 19.64628 
1 1 1  -14    3   47 o  370.438   5.9471  372.372   11.904  370.512   16.724  374.282   16.946  369.508   8.3761  371.369   8.4446 -1.861603 11.89410 
1 1 1  -14    3   48 o   87.154   11.976   21.566   5.4877   26.935   7.7634   16.205   7.7581   99.173   14.487   75.135   19.074 24.03732 23.95211 
1 1 1  -14    3   49 o  494.121   6.8557  664.158   18.301  674.378   26.226  654.458   25.551  497.806   9.7494  490.437   9.6413 7.368805 13.71150 
1 1 1  -14    3   50 o   60.429   13.189   9.6054   5.0902   15.227   7.2236   4.0605   7.1739   72.591   18.393   48.267   18.908 24.32364 26.37841 
1 1 1  -14    3   51 o  326.354   5.7167  288.940   10.069  306.994   14.645  272.754   13.867  336.005   8.0662  316.704   8.1030 19.30096 11.43336 
1 1 1  -14    3   52 o  314.371   5.7070  268.931   9.6944  265.740   13.649  272.179   13.771  312.486   8.0833  316.255   8.0584 -3.769897 11.41398 
1 1 1  -14    3   53 o  355.622   5.8604  344.526   11.257  333.894   15.665  355.881   16.188  349.954   8.2838  361.290   8.2920 -11.33563 11.72082 
1 1 1  -14    3   54 o  354.220   5.8842  342.226   11.260  333.702   15.731  351.181   16.125  349.698   8.3251  358.743   8.3181 -9.044678 11.76848 
1 1 1  -14    3   55 o   92.641   11.260   25.148   5.3385   17.358   7.5880   32.782   7.5120   76.581   18.536  108.702   12.789 -32.12133 22.51977 
1 1 1  -14    3   56 o   68.824   13.600   14.131   5.2816   12.376   7.5866   15.781   7.3573   64.889   19.816   72.759   18.632 -7.869835 27.19988 
1 1 1  -14    3   57 o  218.361   6.0615  129.560   7.1153  148.754   10.635  114.008   9.5733  232.909   8.4504  203.814   8.6924 29.09462 12.12300 
1 1 1  -14    3   58 o  270.646   5.7981  200.782   8.4742  203.920   12.241  197.894   11.743  272.621   8.3093  268.670   8.0887 3.950592 11.59623 
1 1 1  -14    3   59 o  128.473   8.2516   46.159   5.7226   44.231   8.1420   48.041   8.0447  125.703   11.987  131.244   11.343 -5.541183 16.50320 
1 1 1  -14    3   60 o   90.955   11.412   24.329   5.4755   23.103   7.8747   25.477   7.6188   87.696   17.232   94.214   14.965 -6.518471 22.82332 
1 1 1  -14    3   61 o  179.665   6.8538   89.832   6.6391   86.206   9.5806   93.182   9.2087  175.972   10.075  183.357   9.2942 -7.385010 13.70751 
1 1 1  -14    3   62 o  104.534   10.523   31.399   5.9223   34.586   8.8335   28.797   7.9819  109.281   14.959   99.786   14.803 9.495155 21.04509 
1 1 1  -14    3   63 o  276.180   5.9719  211.165   8.9035  213.512   12.911  209.038   12.294  277.509   8.6100  274.851   8.2778 2.657898 11.94379 
1 1 1  -14    3   64 o  152.038   8.2370   66.195   6.7586   70.445   9.6268   62.064   9.4909  157.074   11.342  147.002   11.948 10.07254 16.47409 
1 1 1  -14    3   65 o   41.246   13.455  -6.4967   7.5027   1.5874   9.1459 -23.1306   13.119   45.809   19.891   36.683   18.124 9.126713 26.90974 
1 1 1  -14    3   66 o  111.238   15.071   40.921   8.0450   41.035   9.5991   40.653   14.747  117.077   15.173  105.399   26.044 11.67780 30.14168 
1 1 1  -14    3   67 o  151.987   10.229   67.499   7.9517   81.689   14.111   60.897   9.6253  160.792   16.241  143.182   12.441 17.61076 20.45831 
1 1 1  -14    3   68 o   38.032   12.179  -7.6986   6.2312 -22.9483   8.9960   6.3658   8.6393   27.081   13.624   48.983   20.191 -21.90201 24.35758 
1 1 1  -14    4    1 o  447.659   5.8840  541.790   14.232  535.428   19.959  548.370   20.299  444.987   8.3005  450.331   8.3419 -5.344025 11.76796 
1 1 1  -14    4    2 o  106.347   4.1190   30.545   2.3632   30.966   3.4527   30.175   3.2414  107.035   5.9696  105.660   5.6771 1.374489 8.238082 
1 1 1  -14    4    3 o  301.901   6.3101  246.371   10.294   0.0000   0.0000  246.371   10.294  ?   ?   301.901   6.3101      ?      ? 
1 1 1  -14    4    4 o  344.783   4.8846  321.356   9.0996  321.621   12.957  321.099   12.783  344.921   6.9516  344.644   6.8638 0.2772217 9.769165 
1 1 1  -14    4    5 o  435.388   5.7604  512.532   13.551  514.976   19.318  510.165   19.014  436.408   8.1919  434.368   8.1008 2.039673 11.52083 
1 1 1  -14    4    6 o  582.389   7.3278  917.576   23.061  916.080   32.607  919.073   32.619  581.914   10.370  582.864   10.356 -0.9507446 14.65562 
1 1 1  -14    4    7 o  397.786   5.4086  427.632   11.623  418.102   16.234  437.656   16.649  393.241   7.6397  402.331   7.6580 -9.090088 10.81715 
1 1 1  -14    4    8 o  364.245   5.0784  358.645   9.9940  361.216   14.281  356.177   13.991  365.523   7.2301  362.968   7.1333 2.555634 10.15672 
1 1 1  -14    4    9 o  803.760   9.8030  1749.43   42.573  1733.89   59.706  1765.51   60.721  800.135   13.809  807.384   13.918 -7.248474 19.60601 
1 1 1  -14    4   10 o  930.146   11.251  2344.31   56.535  2312.61   78.856  2377.83   81.095  923.700   15.798  936.593   16.023 -12.89294 22.50206 
1 1 1  -14    4   11 o  220.695   4.9155  131.246   5.5684  130.304   6.8617  133.063   9.5294  219.560   5.7835  221.830   7.9499 -2.269348 9.831038 
1 1 1  -14    4   12 o  619.770   10.992  1040.59   36.797  1020.49   51.144  1062.16   52.983  613.585   15.425  625.955   15.664 -12.36951 21.98418 
1 1 1  -14    4   13 o  627.710   11.118  1068.08   37.705  1080.18   53.965  1056.53   52.704  631.170   15.823  624.250   15.624 6.919739 22.23677 
1 1 1  -14    4   15 o  471.422   8.7370  601.122   22.241  584.685   30.755  619.144   32.202  464.682   12.248  478.161   12.463 -13.47891 17.47400 
1 1 1  -14    4   16 f  391.308   6.5993  414.285   13.208  414.450   16.245  413.964   22.688  391.498   7.6789  391.117   10.735 0.3816223 13.19862 
1 1 1  -14    4   17 o  267.599   4.4087  193.586   6.3744  192.795   9.0703  194.358   8.9601  267.058   6.2854  268.141   6.1839 -1.082886 8.817389 
1 1 1  -14    4   18 o  368.029   5.2048  365.705   10.343  353.159   14.293  379.497   14.986  361.413   7.3186  374.645   7.4026 -13.23157 10.40966 
1 1 1  -14    4   19 o  185.865   4.2132   93.396   4.2297   92.727   6.0598   94.032   5.9066  185.214   6.0547  186.516   5.8605 -1.301834 8.426442 
1 1 1  -14    4   20 o  609.224   7.6831  1004.13   25.293  1002.80   35.792  1005.47   35.747  608.818   10.880  609.630   10.851 -0.8117065 15.36611 
1 1 1  -14    4   21 o  586.616   7.4425  930.834   23.592  931.513   33.414  930.159   33.314  586.829   10.537  586.404   10.513 0.4248657 14.88490 
1 1 1  -14    4   22 o  1012.05   12.224  2775.07   66.832  2808.64   95.759  2743.18   93.319  1018.00   17.408  1006.11   17.165 11.88965 24.44707 
1 1 1  -14    4   23 o  161.557   4.6562   70.606   4.0596   71.836   5.6292   69.273   5.8600  163.026   6.3901  160.087   6.7741 2.938675 9.312458 
1 1 1  -14    4   24 o  785.465   9.6489  1669.62   40.953  1668.20   57.929  1671.04   57.905  785.130   13.654  785.799   13.637 -0.6688843 19.29771 
1 1 1  -14    4   25 o  752.043   9.2754  1529.94   37.689  1515.16   52.825  1545.26   53.788  748.349   13.063  755.737   13.171 -7.388794 18.55078 
1 1 1  -14    4   26 o  671.240   8.3926  1218.67   30.441  1214.38   42.970  1222.98   43.131  670.056   11.868  672.424   11.870 -2.367615 16.78512 
1 1 1  -14    4   27 o  954.647   11.572  2467.41   59.686  2443.62   83.608  2492.12   85.232  949.967   16.287  959.327   16.442 -9.359497 23.14319 
1 1 1  -14    4   28 o  636.751   8.0496  1096.69   27.697  1094.31   39.106  1099.09   39.233  636.059   11.378  637.444   11.390 -1.385071 16.09929 
1 1 1  -14    4   29 o  1056.22   12.755  3017.42   72.691  2928.99   99.625  3118.09  106.300  1039.75   17.732  1072.69   18.339 -32.93542 25.50940 
1 1 1  -14    4   30 o  381.025   5.6638  392.034   11.650  383.150   16.051  401.921   16.934  376.473   7.8903  385.578   8.1275 -9.105255 11.32750 
1 1 1  -14    4   31 o  369.998   5.6393  370.110   11.274  364.755   15.917  375.501   15.972  367.311   8.0193  372.685   7.9308 -5.373962 11.27859 
1 1 1  -14    4   32 o  509.297   6.7980  700.672   18.693  681.638   25.793  721.726   27.128  502.027   9.5081  516.567   9.7184 -14.53976 13.59604 
1 1 1  -14    4   33 o  129.678   7.7896   45.628   5.4126   38.348   7.5643   53.266   7.7482  119.036   11.760  140.320   10.219 -21.28410 15.57928 
1 1 1  -14    4   34 o  416.135   6.1528  465.995   13.798  500.316   20.453  437.330   18.692  430.124   8.8000  402.147   8.6018 27.97678 12.30568 
1 1 1  -14    4   35 o  274.540   5.6914  203.818   8.4432  202.182   11.937  205.456   11.944  273.437   8.0788  275.643   8.0189 -2.206146 11.38286 
1 1 1  -14    4   36 o  452.095   6.5102  552.729   15.900  546.731   22.202  559.044   22.782  449.582   9.1391  454.609   9.2740 -5.026855 13.02038 
1 1 1  -14    4   37 o  743.912   9.3372  1498.63   37.527  1479.38   52.472  1518.78   53.693  739.034   13.139  748.790   13.270 -9.755432 18.67439 
1 1 1  -14    4   38 o  417.219   6.2834  470.946   14.165  467.369   19.930  474.598   20.138  415.619   8.8739  418.819   8.8982 -3.200226 12.56681 
1 1 1  -14    4   39 o  330.176   5.9117  294.925   10.547  295.636   14.886  294.208   14.946  330.577   8.3331  329.775   8.3875 0.8023987 11.82331 
1 1 1  -14    4   40 o  303.001   5.7469  247.659   9.3934  229.668   12.906  267.928   13.698  291.330   8.1979  314.671   8.0561 -23.34058 11.49378 
1 1 1  -14    4   41 o  440.112   6.3676  523.629   15.127  541.634   22.032  507.572   20.806  447.246   9.1164  432.978   8.8926 14.26843 12.73521 
1 1 1  -14    4   42 o  414.801   7.6081  465.660   16.037  468.694   27.952  464.171   19.581  415.573   12.447  414.029   8.7520 1.544037 15.21628 
1 1 1  -14    4   43 o  134.090   16.960   49.054   12.289   49.054   12.289   0.0000   0.0000  134.090   16.960  ?   ?       ?      ? 
1 1 1  -14    4   45 o  304.377   8.3137  251.782   13.667  255.405   19.706  248.423   18.970  306.462   11.900  302.291   11.613 4.171417 16.62737 
1 1 1  -14    4   46 o  325.721   5.7910  287.783   10.187  277.227   14.405  298.346   14.409  319.722   8.3379  331.720   8.0387 -11.99881 11.58194 
1 1 1  -14    4   47 o  158.980   7.1249   68.313   6.1001   73.963   9.0944   63.691   8.2248  164.907   10.206  153.053   9.9448 11.85324 14.24980 
1 1 1  -14    4   48 o  104.277   9.4310   29.887   5.2757   33.765   7.4292   25.941   7.4930  111.226   12.361   97.329   14.247 13.89652 18.86196 
1 1 1  -14    4   49 o  153.303   7.1526   63.986   5.8800   74.987   8.5027   53.904   8.1402  166.001   9.4789  140.604   10.714 25.39734 14.30523 
1 1 1  -14    4   50 o  119.873   8.4214   39.315   5.4436   39.673   7.9756   39.002   7.4481  120.337   12.265  119.410   11.543 0.9266129 16.84274 
1 1 1  -14    4   51 o  145.781   7.2835   58.283   5.7075   54.984   8.3599   61.163   7.8112  141.807   10.910  149.756   9.6527 -7.949020 14.56701 
1 1 1  -14    4   52 o  232.081   5.6823  146.419   7.1189  150.811   10.352  142.480   9.8050  235.356   8.1401  228.807   7.9303 6.548859 11.36451 
1 1 1  -14    4   53 o  228.598   5.7881  142.494   7.1315  129.413   9.9795  156.146   10.195  217.799   8.4794  239.396   7.8809 -21.59721 11.57615 
1 1 1  -14    4   54 o  182.679   9.3066   91.313   9.1869   91.313   9.1869   0.0000   0.0000  182.679   9.3066  ?   ?       ?      ? 
1 1 1  -14    4   55 o   98.585   10.473   28.207   5.2958   23.254   7.9024   32.245   7.1350   89.297   16.998  107.872   12.241 -18.57482 20.94655 
1 1 1  -14    4   56 o   95.016   11.118   25.642   5.3565   38.150   8.0849   15.855   7.1512  117.041   12.784   72.992   18.195 44.04900 22.23682 
1 1 1  -14    4   57 o   69.088   13.204   14.535   5.3938   7.6217   7.9383   20.464   7.3514   54.978   20.268   83.197   16.928 -28.21830 26.40740 
1 1 1  -14    4   58 o  225.924   6.0835  140.172   7.4217  141.738   10.723  138.731   10.283  227.076   8.7388  224.772   8.4659 2.303833 12.16708 
1 1 1  -14    4   59 o  146.740   7.7016   60.039   6.0968   57.674   8.7522   62.269   8.4978  143.777   11.265  149.703   10.505 -5.926132 15.40318 
1 1 1  -14    4   60 o  234.608   6.1017  151.641   7.7281  156.873   11.230  146.935   10.651  238.396   8.7176  230.820   8.5398 7.576370 12.20341 
1 1 1  -14    4   61 o  261.018   6.0943  187.591   8.5783  196.575   12.631  179.902   11.687  266.705   8.7646  255.332   8.4703 11.37279 12.18868 
1 1 1  -14    4   62 o   50.138   13.223   3.9954   5.7546  -6.8412   8.6618   12.558   7.6994   36.746   17.240   63.530   20.055 -26.78439 26.44649 
1 1 1  -14    4   63 o  132.995   8.7777   50.507   6.2932   46.837   8.9184   54.146   8.8816  127.894   12.905  138.096   11.902 -10.20178 17.55536 
1 1 1  -14    4   64 o   77.160   15.753   21.595   7.0795   24.543   8.4984   14.910   12.797   87.628   18.527   66.692   25.484 20.93556 31.50686 
1 1 1  -14    4   65 o  116.904   13.219   38.784   7.8595   32.578   9.3873   53.333   14.373  104.029   16.699  129.779   20.496 -25.74968 26.43754 
1 1 1  -14    4   66 o  182.995   9.3366   92.771   8.6534  117.049   15.806   82.378   10.341  197.001   14.848  168.990   11.324 28.01035 18.67323 
1 1 1  -14    4   67 o  123.651   10.374   46.577   6.9201   50.103   9.9191   43.234   9.6591  128.582   14.276  118.721   15.056 9.860649 20.74843 
1 1 1  -14    4   68 o   85.666   14.132   25.986   6.4220   25.761   9.1087   26.209   9.0557   85.132   20.119   86.200   19.851 -1.067345 28.26392 
1 1 1  -14    5    1 o  133.032   4.0370   47.556   2.8882   50.572   4.3475   45.173   3.8640  136.784   5.8818  129.279   5.5313 7.504898 8.074096 
1 1 1  -14    5    2 o  168.785   3.8917   76.749   3.5372   79.866   5.2647   74.184   4.7757  171.896   5.6678  165.673   5.3346 6.222916 7.783459 
1 1 1  -14    5    3 o  291.337   4.4729  229.357   7.0374  231.619   10.149  227.262   9.7667  292.718   6.4165  289.956   6.2334 2.762054 8.945779 
1 1 1  -14    5    4 o  811.787   9.9009  1784.11   43.418  1809.83   62.350  1759.91   60.496  817.447   14.115  806.127   13.888 11.32031 19.80180 
1 1 1  -14    5    5 o  529.750   6.7826  758.974   19.413  765.331   27.742  752.875   27.175  531.920   9.6515  527.581   9.5322 4.338867 13.56521 
1 1 1  -14    5    6 o  412.557   5.5792  460.215   12.438  456.322   17.564  464.131   17.615  410.807   7.9121  414.308   7.8682 -3.501709 11.15843 
1 1 1  -14    5    7 o  601.310   7.5540  978.315   24.545  974.860   34.681  981.782   34.743  600.246   10.692  602.375   10.674 -2.128723 15.10806 
1 1 1  -14    5    8 o  266.055   4.3215  190.954   6.2064  180.648   8.5661  202.343   9.0047  258.513   6.1322  273.597   6.0907 -15.08408 8.642921 
1 1 1  -14    5    9 o  374.035   5.2110  378.258   10.532  378.511   14.983  378.011   14.807  374.157   7.4106  373.913   7.3282 0.2443237 10.42208 
1 1 1  -14    5   10 o  339.069   6.0139  307.196   10.337  300.413   12.534  321.622   18.279  333.342   6.9584  344.797   9.8107 -11.45508 12.02786 
1 1 1  -14    5   11 o  780.996   13.556  1655.77   57.194  1630.63   79.725  1682.43   82.095  774.917   19.039  787.075   19.302 -12.15753 27.11237 
1 1 1  -14    5   12 o  655.119   11.565  1164.04   40.939  1158.78   57.721  1169.37   58.074  653.631   16.342  656.606   16.368 -2.974792 23.12942 
1 1 1  -14    5   13 o  196.094   5.8297  103.945   6.1773   0.0000   0.0000  103.945   6.1773  ?   ?   196.094   5.8297      ?      ? 
1 1 1  -14    5   14 o  144.005   5.9319   56.193   4.5978   50.180   6.4721   62.320   6.5329  136.205   8.7935  151.805   7.9640 -15.59923 11.86384 
1 1 1  -14    5   15 o  456.052   8.5406  563.065   21.046  562.838   29.875  563.288   29.655  455.957   12.125  456.147   12.031 -0.1895752 17.08119 
1 1 1  -14    5   16 o  741.344   9.1319  1488.07   36.580  1477.24   51.407  1499.17   52.063  738.617   12.880  744.070   12.949 -5.452759 18.26377 
1 1 1  -14    5   17 o  438.983   5.9046  521.142   14.006  519.631   19.851  522.640   19.764  438.348   8.3806  439.618   8.3199 -1.270386 11.80914 
1 1 1  -14    5   18 o  144.615   4.4863   56.570   3.5033   54.397   4.9734   58.711   4.9357  141.854   6.4882  147.376   6.1977 -5.521301 8.972672 
1 1 1  -14    5   19 o  619.769   7.8009  1038.93   26.120  1024.13   36.485  1054.50   37.411  615.245   10.974  624.292   11.090 -9.046448 15.60176 
1 1 1  -14    5   20 o  389.089   5.4506  409.117   11.457  401.520   15.990  417.131   16.424  385.380   7.6786  392.798   7.7379 -7.418121 10.90115 
1 1 1  -14    5   21 o  394.231   5.5346  420.091   11.788  423.985   16.884  416.389   16.464  396.011   7.8901  392.451   7.7637 3.559418 11.06926 
1 1 1  -14    5   22 o  387.964   5.4911  406.924   11.511  404.545   16.318  409.281   16.241  386.834   7.8064  389.094   7.7246 -2.259918 10.98227 
1 1 1  -14    5   23 o  827.781   10.130  1854.60   45.308  1840.90   63.663  1868.67   64.496  824.686   14.286  830.875   14.365 -6.188965 20.25950 
1 1 1  -14    5   24 o  892.779   10.866  2157.35   52.413  2136.33   73.461  2179.14   74.803  888.358   15.303  897.200   15.429 -8.842102 21.73126 
1 1 1  -14    5   25 o  536.982   6.9836  779.661   20.263  779.544   28.767  779.777   28.548  536.940   9.9147  537.023   9.8377 -0.8306885E-01 13.96715 
1 1 1  -14    5   26 o  449.906   6.1125  547.224   14.860  546.759   21.039  547.686   20.992  449.715   8.6578  450.097   8.6309 -0.3821716 12.22498 
1 1 1  -14    5   27 o  949.872   11.523  2442.19   59.125  2403.14   82.284  2483.87   85.015  942.043   16.164  957.701   16.428 -15.65765 23.04679 
1 1 1  -14    5   28 o  1261.84   15.129  4318.86  103.147  4288.85  144.855  4349.72  146.912  1257.41   21.319  1266.27   21.471 -8.855103 30.25706 
1 1 1  -14    5   29 o  260.582   5.0280  183.275   7.0745  174.771   9.7992  192.532   10.224  254.277   7.1317  266.886   7.0894 -12.60870 10.05593 
1 1 1  -14    5   30 o  383.036   5.6842  396.409   11.761  387.812   16.373  405.576   16.905  378.749   7.9998  387.324   8.0773 -8.575165 11.36832 
1 1 1  -14    5   31 f  596.965   7.6891  964.001   24.803  958.969   34.915  969.126   35.239  595.394   10.852  598.536   10.896 -3.141785 15.37813 
1 1 1  -14    5   32 f  589.539   7.6175  940.309   24.266  935.207   34.201  945.481   34.436  587.929   10.765  591.149   10.780 -3.219360 15.23493 
1 1 1  -14    5   34 o  314.822   5.6340  267.822   9.5787  272.666   13.834  263.362   13.276  317.552   8.0619  312.092   7.8722 5.459320 11.26797 
1 1 1  -14    5   35 o  398.285   6.0535  428.632   13.022  416.305   18.076  441.932   18.776  392.339   8.5260  404.232   8.5958 -11.89249 12.10704 
1 1 1  -14    5   36 o  535.697   7.2138  774.682   20.852  744.820   28.563  808.754   30.510  524.679   10.074  546.715   10.328 -22.03601 14.42750 
1 1 1  -14    5   37 o  313.361   5.8189  265.603   9.8520  265.302   14.035  265.896   13.833  313.183   8.2935  313.539   8.1643 -0.3560486 11.63783 
1 1 1  -14    5   38 o  944.221   11.569  2420.42   59.026  2406.54   83.058  2434.59   83.900  941.495   16.326  946.947   16.396 -5.451782 23.13814 
1 1 1  -14    5   39 o  680.091   8.6709  1253.11   31.859  1265.28   45.596  1241.50   44.533  683.302   12.349  676.880   12.175 6.422119 17.34172 
1 1 1  -14    5   40 o  209.719   6.1594  118.786   6.9715  126.951   10.122  111.419   9.6155  216.562   8.6499  202.877   8.7710 13.68503 12.31877 
1 1 1  -14    5   41 o  552.853   7.3909  828.030   22.075  838.403   31.629  818.180   30.823  556.217   10.523  549.490   10.381 6.727173 14.78175 
1 1 1  -14    5   42 o  662.253   12.001  1194.09   42.915  1165.99   59.300  1225.00   62.186  654.145   16.776  670.360   17.167 -16.21460 24.00297 
1 1 1  -14    5   43 o  281.420   12.024  215.113   18.284  215.113   18.284   0.0000   0.0000  281.420   12.024  ?   ?       ?      ? 
1 1 1  -14    5   44 o  206.730   13.572  116.374   15.162  116.374   15.162   0.0000   0.0000  206.730   13.572  ?   ?       ?      ? 
1 1 1  -14    5   45 o  162.432   9.9604   71.999   8.7355   72.815   12.155   71.126   12.562  163.420   13.765  161.445   14.400 1.975677 19.92076 
1 1 1  -14    5   46 o  285.811   5.6728  221.322   8.7568  212.751   12.177  230.500   12.602  280.084   8.0457  291.539   7.9993 -11.45538 11.34558 
1 1 1  -14    5   47 o  244.355   5.8026  161.868   7.6549  165.424   11.108  158.652   10.564  246.893   8.3259  241.817   8.0846 5.075912 11.60522 
1 1 1  -14    5   48 o  180.551   6.5465   88.627   6.3843   91.737   9.0397   85.533   9.0178  183.729   9.1052  177.373   9.4087 6.356277 13.09300 
1 1 1  -14    5   49 o  313.937   5.6867  267.607   9.6426  272.205   13.887  263.326   13.400  316.523   8.1191  311.351   7.9644 5.172577 11.37331 
1 1 1  -14    5   50 o   48.166   13.280   3.9349   5.0703   1.5621   7.2747   6.1764   7.0706   44.312   18.419   52.021   19.136 -7.708340 26.56003 
1 1 1  -14    5   51 o  155.271   7.3038   66.135   6.1013   61.610   8.8409   70.250   8.4308  150.082   10.901  160.461   9.7233 -10.37894 14.60759 
1 1 1  -14    5   52 o   55.418   14.003   7.6467   5.3189   6.6607   7.6997   8.5467   7.3563   53.787   19.935   57.050   19.671 -3.262707 28.00614 
1 1 1  -14    5   53 o   53.878   13.324   7.0868   5.0049   3.1018   7.2282   10.757   6.9369   46.338   18.703   61.418   18.981 -15.07954 26.64776 
1 1 1  -14    5   54 o  317.397   5.7027  274.344   9.7662  284.296   14.290  265.622   13.378  322.737   8.1940  312.056   7.9337 10.68112 11.40548 
1 1 1  -14    5   55 o  105.143   10.187   32.355   5.4239   25.164   8.1469   38.080   7.2691   92.940   16.842  117.346   11.464 -24.40603 20.37326 
1 1 1  -14    5   56 o  117.933   8.5690   38.390   5.4393   41.553   8.1467   35.846   7.3063  122.228   12.334  113.638   11.898 8.589775 17.13795 
1 1 1  -14    5   57 o  187.212   6.2863   96.188   6.3532   99.975   9.2371   92.789   8.7521  190.676   8.9650  183.748   8.8146 6.927750 12.57252 
1 1 1  -14    5   58 f  161.667   6.9549   72.228   6.0704   71.926   8.7585   72.507   8.4211  161.262   10.051  162.071   9.6156 -0.8084717 13.90983 
1 1 1  -14    5   59 o  119.525   8.7500   40.052   5.6433   42.950   8.2151   37.462   7.7656  123.637   12.296  115.412   12.452 8.225471 17.50003 
1 1 1  -14    5   60 o  128.137   8.7926   46.956   5.9951   39.185   8.6677   54.083   8.3010  117.257   13.680  139.017   11.050 -21.75980 17.58527 
1 1 1  -14    5   61 o  114.569   9.7582   37.332   6.0211   39.238   8.9617   35.763   8.1292  117.058   14.168  112.079   13.423 4.979729 19.51636 
1 1 1  -14    5   62 o   74.787   14.342   17.705   5.9300   19.969   8.8456   15.857   7.9918   78.946   20.539   70.627   20.022 8.319641 28.68342 
1 1 1  -14    5   63 o   65.284   14.455   12.771   6.1156   20.605   8.9417   5.8852   8.3828   79.709   20.608   50.859   20.275 28.85006 28.90986 
1 1 1  -14    5   64 o  192.667   8.7800  106.901   8.6418  106.430   10.641  107.815   14.811  194.094   10.146  191.241   14.332 2.852341 17.55997 
1 1 1  -14    5   65 o  100.507   15.736   33.870   7.8210   31.689   14.494   34.766   9.2896   93.010   27.150  108.004   15.917 -14.99371 31.47156 
1 1 1  -14    5   66 o  173.513   9.9361   89.940   8.4517   94.437   15.638   88.084   10.045  172.504   16.776  174.523   10.652 -2.018677 19.87212 
1 1 1  -14    5   67 o   87.737   13.507   25.791   6.4247   18.134   8.9861   33.797   9.1892   71.339   21.518  104.134   16.330 -32.79478 27.01322 
1 1 1  -14    5   68 o   75.212   17.769   24.391   8.9151   17.180   12.840   31.104   12.388   63.855   25.207   86.569   25.052 -22.71357 35.53858 
1 1 1  -14    6    1 o  469.455   6.1726  595.958   15.656  599.712   22.381  592.361   21.907  470.899   8.7957  468.011   8.6625 2.888123 12.34513 
1 1 1  -14    6    3 o   84.981   5.5542   19.371   2.5317   20.770   3.8692   18.323   3.3479   87.640   8.1702   82.322   7.5261 5.318268 11.10835 
1 1 1  -14    6    4 o  809.881   9.9009  1775.02   43.297  1815.54   62.715  1738.12   59.847  818.678   14.177  801.084   13.825 17.59412 19.80186 
1 1 1  -14    6    5 f  595.682   7.5101  959.869   24.168  970.742   34.626  949.541   33.748  598.964   10.698  592.400   10.543 6.564270 15.02011 
1 1 1  -14    6    6 o  353.613   5.0924  338.100   9.7296  335.691   13.829  340.462   13.692  352.363   7.2627  354.862   7.1404 -2.498932 10.18488 
1 1 1  -14    6    7 o  285.672   6.3503  220.611   9.8028   0.0000   0.0000  220.611   9.8028  ?   ?   285.672   6.3503      ?      ? 
1 1 1  -14    6    8 o  431.044   7.0774  503.733   15.653  506.053   19.338  499.324   26.657  432.580   8.2727  429.508   11.486 3.071747 14.15475 
1 1 1  -14    6    9 o  436.539   8.2595  515.829   19.483  510.586   27.424  521.171   27.683  434.299   11.686  438.779   11.676 -4.479645 16.51898 
1 1 1  -14    6   10 o  601.965   10.737  982.307   34.923  984.009   49.575  980.631   49.204  602.477   15.228  601.454   15.140 1.023438 21.47302 
1 1 1  -14    6   11 o  688.493   12.093  1286.26   44.991  1285.14   63.679  1287.39   63.575  688.188   17.124  688.798   17.081 -0.6102905 24.18646 
1 1 1  -14    6   12 o  446.508   8.4222  539.222   20.321   0.0000   0.0000  539.222   20.321  ?   ?   446.508   8.4222      ?      ? 
1 1 1  -14    6   13 o   51.794   11.314   7.2212   3.4688   7.4550   5.2174   7.0360   4.6439   52.708   16.490   50.880   15.496 1.828434 22.62854 
1 1 1  -14    6   14 f  370.831   7.4066  370.770   14.802  389.640   21.922  354.955   20.069  379.461   10.691  362.201   10.254 17.26053 14.81329 
1 1 1  -14    6   15 o  510.759   6.6496  705.615   18.352  699.234   25.834  712.117   26.076  508.428   9.4031  513.090   9.4048 -4.662079 13.29924 
1 1 1  -14    6   16 o  110.235   5.3029   33.047   3.1260   31.394   4.7074   34.352   4.1811  107.748   8.0850  112.723   6.8642 -4.974579 10.60586 
1 1 1  -14    6   17 o  235.087   4.3902  149.382   5.5749  143.890   7.8414  154.994   7.9275  230.717   6.2897  239.457   6.1266 -8.740021 8.780364 
1 1 1  -14    6   18 o  398.074   5.5358  428.142   11.899  435.832   17.213  421.104   16.468  401.491   7.9341  394.657   7.7220 6.834381 11.07156 
1 1 1  -14    6   19 o  465.535   6.1981  586.028   15.592  585.572   22.110  586.478   21.990  465.354   8.7927  465.716   8.7379 -0.3622131 12.39611 
1 1 1  -14    6   20 o  864.368   10.534  2022.66   49.194  1996.28   68.732  2050.37   70.440  858.602   14.814  870.134   14.981 -11.53278 21.06881 
1 1 1  -14    6   21 o  187.681   4.5471   95.209   4.6112   95.207   6.5613   95.210   6.4818  187.679   6.4697  187.684   6.3912 -0.4058838E-02 9.094199 
1 1 1  -14    6   22 o  547.524   7.0772  810.692   20.938  811.198   29.725  810.193   29.499  547.692   10.044  547.356   9.9736 0.3357544 14.15449 
1 1 1  -14    6   23 o  780.244   9.6002  1647.27   40.475  1638.07   56.993  1656.64   57.490  778.047   13.556  782.441   13.597 -4.394470 19.20036 
1 1 1  -14    6   24 o  876.670   10.689  2080.18   50.635  2075.60   71.538  2084.78   71.680  875.703   15.118  877.638   15.115 -1.935303 21.37749 
1 1 1  -14    6   25 o  767.276   9.4665  1591.70   39.228  1558.85   54.413  1627.27   56.607  759.047   13.266  775.506   13.508 -16.45923 18.93309 
1 1 1  -14    6   26 o  308.451   5.0173  257.189   8.3618  255.447   11.886  258.896   11.765  307.416   7.1555  309.487   7.0351 -2.070740 10.03461 
1 1 1  -14    6   27 o  592.779   7.5805  949.975   24.275  935.222   33.854  965.589   34.827  588.048   10.654  597.511   10.787 -9.463257 15.16092 
1 1 1  -14    6   28 o  980.508   11.896  2603.92   63.030  2589.12   88.737  2618.99   89.544  977.700   16.796  983.315   16.852 -5.614441 23.79292 
1 1 1  -14    6   29 o  1091.63   13.172  3229.87   77.698  3228.33  109.890  3231.40  109.874  1091.37   18.634  1091.89   18.622 -0.5206299 26.34373 
1 1 1  -14    6   30 o  322.016   5.3350  279.921   9.2765  267.773   12.845  293.166   13.412  314.724   7.5527  329.309   7.5368 -14.58499 10.66993 
1 1 1  -14    6   31 o  431.653   6.1372  503.416   14.308  490.724   19.845  517.153   20.646  425.995   8.6211  437.311   8.7371 -11.31604 12.27435 
1 1 1  -14    6   32 o  324.033   5.4967  283.850   9.6235  286.834   13.731  280.970   13.491  325.705   7.8016  322.361   7.7452 3.344696 10.99332 
1 1 1  -14    6   33 o  480.943   6.6697  625.614   17.333  623.637   24.517  627.589   24.510  480.182   9.4487  481.704   9.4160 -1.521057 13.33940 
1 1 1  -14    6   34 o  238.697   5.7819  154.083   7.4545  153.798   10.695  154.352   10.396  238.479   8.2990  238.914   8.0527 -0.4352570 11.56378 
1 1 1  -14    6   35 o  209.422   6.1460  118.584   6.9528  122.980   9.9177  114.336   9.7500  213.239   8.6071  205.605   8.7758 7.634979 12.29210 
1 1 1  -14    6   36 f  673.639   8.6136  1228.47   31.351  1213.87   43.916  1243.65   44.769  669.562   12.138  677.716   12.225 -8.153381 17.22721 
1 1 1  -14    6   37 o  555.109   7.4324  833.936   22.290  821.093   31.155  847.404   31.905  550.736   10.469  559.482   10.553 -8.745483 14.86486 
1 1 1  -14    6   38 o  1143.84   13.865  3559.68   85.695  3542.59  120.663  3577.06  121.725  1141.08   19.569  1146.59   19.646 -5.505249 27.72962 
1 1 1  -14    6   39 o  481.720   6.7986  626.749   17.671  600.778   24.206  656.385   25.858  471.071   9.5094  492.368   9.7187 -21.29614 13.59715 
1 1 1  -14    6   40 o  616.383   8.0355  1028.98   26.746  1003.56   37.013  1056.76   38.693  608.443   11.258  624.322   11.469 -15.87915 16.07104 
1 1 1  -14    6   41 o  580.498   9.4080  905.158   27.515  942.342   49.147  888.182   33.207  588.581   15.453  572.416   10.736 16.16510 18.81590 
1 1 1  -14    6   42 o  577.391   10.796  905.716   33.637  943.243   49.187  872.748   46.103  588.545   15.466  566.237   15.068 22.30762 21.59254 
1 1 1  -14    6   44 o  247.880   8.2602  164.660   10.983  193.761   16.656  142.275   14.608  267.000   11.544  228.760   11.817 38.23996 16.52043 
1 1 1  -14    6   45 f   77.127   14.053   18.284   6.7116   3.0721   11.545   26.050   8.2488   56.682   23.350   97.572   15.645 -40.89080 28.10664 
1 1 1  -14    6   46 o  130.650   8.4064   46.529   5.9345   46.034   8.3987   47.023   8.3867  129.948   11.961  131.351   11.816 -1.402863 16.81290 
1 1 1  -14    6   47 o  235.482   5.7732  150.500   7.3368  149.864   10.637  151.077   10.133  234.981   8.3772  235.983   7.9463 -1.002487 11.54646 
1 1 1  -14    6   48 o  258.333   5.7604  180.997   8.0320  185.613   11.694  176.876   11.051  261.426   8.2783  255.240   8.0124 6.185272 11.52079 
1 1 1  -14    6   49 o  245.024   5.6912  163.137   7.5266  163.591   10.916  162.725   10.392  245.316   8.2348  244.732   7.8579 0.5838776 11.38238 
1 1 1  -14    6   50 o  240.191   5.8918  156.736   7.6361  160.527   11.152  153.389   10.478  242.889   8.4967  237.492   8.1645 5.396988 11.78361 
1 1 1  -14    6   51 o  296.034   5.6901  238.097   9.0937  246.780   13.215  230.286   12.533  301.134   8.1212  290.935   7.9721 10.19910 11.38014 
1 1 1  -14    6   52 o  127.121   8.3646   43.913   5.7066   51.560   8.5953   37.885   7.6311  136.937   11.616  117.304   12.039 19.63285 16.72913 
1 1 1  -14    6   53 o   97.893   10.131   26.815   5.3229   24.035   7.6758   29.390   7.3879   92.777   15.311  103.009   13.273 -10.23260 20.26275 
1 1 1  -14    6   54 o   75.699   13.001   17.331   5.3115   13.305   8.0376   20.452   7.0770   67.409   20.355   83.988   16.181 -16.57815 26.00254 
1 1 1  -14    6   55 o  141.466   7.7069   55.832   5.8222   50.123   8.6198   60.621   7.8953  134.465   11.863  148.466   9.8413 -14.00084 15.41383 
1 1 1  -14    6   56 o  179.337   6.5952   88.342   6.3879   91.930   9.2033   85.007   8.8734  182.850   9.3145  175.823   9.3396 7.027405 13.19046 
1 1 1  -14    6   57 o  119.233   8.8035   39.697   5.6685   41.673   8.1560   37.851   7.8838  122.129   12.359  116.338   12.541 5.791405 17.60706 
1 1 1  -14    6   58 o  264.129   5.8110  190.939   8.2743  201.231   12.225  182.238   11.240  270.598   8.3605  257.659   8.0731 12.93939 11.62206 
1 1 1  -14    6   59 o  211.776   6.2714  123.992   7.1629  118.650   10.298  128.999   9.9699  207.181   9.1983  216.371   8.5272 -9.190094 12.54278 
1 1 1  -14    6   60 o  106.905   9.9193   32.389   5.6996   37.313   8.5014   28.370   7.6818  114.328   13.761   99.482   14.290 14.84624 19.83851 
1 1 1  -14    6   61 o   56.159   14.389   8.7332   5.6215   9.5819   8.1526   7.9639   7.7619   57.905   20.649   54.414   20.044 3.490734 28.77781 
1 1 1  -14    6   62 o  144.556   8.4738   58.838   6.5928   65.494   9.8482   53.432   8.8748  151.898   11.998  137.215   11.969 14.68271 16.94762 
1 1 1  -14    6   63 o  129.309   12.506   53.252   7.8803   58.641   9.9281   44.077   12.955  142.474   12.896  116.144   21.432 26.33009 25.01298 
1 1 1  -14    6   64 o   46.867   13.263  -3.0574   6.1539   13.701   9.4697 -15.3085   8.0967   64.666   22.317   29.067   14.338 35.59904 26.52603 
1 1 1  -14    6   65 o   40.528   13.579  -6.5439   6.9197  -7.0901   13.539  -6.3509   8.0506   45.962   21.560   35.093   16.514 10.86847 27.15808 
1 1 1  -14    6   66 f   56.933   15.038   10.616   6.2634   15.999   9.6976   6.7624   8.2041   64.853   22.572   49.014   19.876 15.83921 30.07587 
1 1 1  -14    6   67 o   55.114   15.225   9.2604   6.5314   12.060   9.9530   7.1433   8.6558   59.337   22.522   50.890   20.493 8.446854 30.45000 
1 1 1  -14    7    1 o  540.519   6.9476  790.427   20.292  789.491   28.771  791.354   28.624  540.198   9.8564  540.840   9.7944 -0.6412964 13.89528 
1 1 1  -14    7    4 o  487.640   6.4218  642.958   16.915  651.597   24.341  634.890   23.521  490.801   9.1781  484.480   8.9845 6.321136 12.84365 
1 1 1  -14    7    5 o  504.004   7.9778  694.153   20.880  712.474   26.323  663.063   34.291  513.191   9.4922  494.817   12.825 18.37442 15.95551 
1 1 1  -14    7    6 o  389.010   7.6256  409.333   16.022  415.991   23.092  403.153   22.248  392.051   10.900  385.968   10.667 6.083069 15.25125 
1 1 1  -14    7    7 o  558.136   10.076  843.447   30.367  862.162   43.951  826.351   42.006  564.036   14.420  552.237   14.077 11.79883 20.15188 
1 1 1  -14    7    8 o  373.209   7.4602  376.285   15.022  388.288   21.980  365.766   20.578  378.773   10.739  367.645   10.358 11.12766 14.92034 
1 1 1  -14    7    9 f  476.445   8.8836  613.872   22.845  632.207   33.275  597.523   31.421  483.149   12.745  469.740   12.379 13.40860 17.76725 
1 1 1  -14    7   10 o  384.139   6.6140  400.424   12.942  395.496   22.349  402.910   15.874  382.273   10.819  386.005   7.6105 -3.731934 13.22792 
1 1 1  -14    7   11 o  271.265   9.3186  199.054   13.659  199.054   13.659   0.0000   0.0000  271.265   9.3186  ?   ?       ?      ? 
1 1 1  -14    7   12 o  377.038   7.5649  384.695   15.412  381.982   21.839  387.387   21.753  375.710   10.757  378.366   10.639 -2.655396 15.12989 
1 1 1  -14    7   13 o  632.924   11.262  1084.87   38.490  1057.43   53.263  1114.86   55.684  624.575   15.782  641.273   16.069 -16.69843 22.52313 
1 1 1  -14    7   14 o  275.034   9.0294  204.595   13.419   0.0000   0.0000  204.595   13.419  ?   ?   275.034   9.0294      ?      ? 
1 1 1  -14    7   15 o  734.425   9.0864  1460.38   36.060  1456.60   50.984  1464.16   51.009  733.474   12.864  735.376   12.837 -1.902222 18.17271 
1 1 1  -14    7   16 o  860.341   10.499  2004.93   48.804  2017.34   69.559  1992.91   68.492  862.951   14.917  857.730   14.777 5.220276 20.99733 
1 1 1  -14    7   17 f  196.224   4.4739  103.377   4.7094  109.650   7.1832   98.648   6.2368  201.405   6.6002  191.042   6.0416 10.36334 8.947783 
1 1 1  -14    7   18 o  560.536   7.2118  849.802   21.844  843.501   30.767  856.205   31.018  558.442   10.196  562.631   10.202 -4.189148 14.42366 
1 1 1  -14    7   19 o  420.309   5.8020  477.600   13.175  479.363   18.816  475.904   18.454  421.068   8.2698  419.550   8.1401 1.517639 11.60395 
1 1 1  -14    7   20 o  558.921   7.2010  844.655   21.745  832.107   30.430  857.750   31.085  554.682   10.153  563.160   10.215 -8.478455 14.40203 
1 1 1  -14    7   21 o  883.368   10.771  2111.66   51.395  2075.45   71.518  2150.32   73.907  875.557   15.116  891.180   15.347 -15.62335 21.54157 
1 1 1  -14    7   22 o  626.882   7.9287  1062.86   26.858  1058.68   37.944  1067.07   38.023  625.644   11.223  628.120   11.202 -2.476318 15.85744 
1 1 1  -14    7   23 o  323.740   5.1181  283.261   8.9512  274.448   12.591  292.268   12.728  318.648   7.3122  328.832   7.1632 -10.18472 10.23618 
1 1 1  -14    7   24 o  569.914   7.3315  878.282   22.577  880.824   32.125  875.802   31.736  570.727   10.417  569.102   10.320 1.624817 14.66307 
1 1 1  -14    7   25 o  168.710   5.1286   77.157   4.6610   71.099   6.6511   83.004   6.5339  162.180   7.5894  175.240   6.9000 -13.06024 10.25718 
1 1 1  -14    7   26 o  1054.78   12.737  3014.46   72.594  3014.44  102.747  3014.48  102.579  1054.77   18.027  1054.78   17.997 -0.1220703E-01 25.47303 
1 1 1  -14    7   27 o  425.042   6.0111  488.450   13.805  485.574   19.593  491.286   19.455  423.797   8.5559  426.286   8.4457 -2.489014 12.02218 
1 1 1  -14    7   28 o  786.266   9.7170  1672.27   41.269  1642.54   57.404  1704.07   59.371  779.048   13.636  793.485   13.847 -14.43719 19.43391 
1 1 1  -14    7   29 o  591.584   7.6420  946.616   24.429  939.615   34.419  953.722   34.677  589.380   10.807  593.788   10.807 -4.407898 15.28394 
1 1 1  -14    7   30 o  759.425   9.4410  1560.62   38.731  1534.77   53.963  1588.08   55.621  752.952   13.263  765.898   13.439 -12.94598 18.88192 
1 1 1  -14    7   31 o  291.348   5.4161  229.552   8.5235  227.653   12.196  231.364   11.917  290.167   7.7781  292.529   7.5390 -2.362274 10.83214 
1 1 1  -14    7   32 o   98.884   10.430   26.449   5.5521   23.425   7.6940   29.736   8.0199   92.983   15.313  104.784   14.164 -11.80122 20.85924 
1 1 1  -14    7   33 o  527.130   7.1170  751.707   20.272  747.377   28.648  756.051   28.690  525.608   10.087  528.652   10.043 -3.044250 14.23405 
1 1 1  -14    7   34 o  1006.51   12.264  2748.28   66.702  2729.06   93.787  2767.95   94.883  1002.96   17.305  1010.06   17.384 -7.102661 24.52898 
1 1 1  -14    7   35 o  357.809   6.0048  345.388   11.595  364.022   16.932  328.935   15.911  366.871   8.5410  348.747   8.4430 18.12448 12.00966 
1 1 1  -14    7   36 o  799.348   9.9578  1732.14   43.011  1731.04   60.962  1733.22   60.693  799.089   14.118  799.606   14.047 -0.5166016 19.91555 
1 1 1  -14    7   37 o  640.669   8.2797  1111.74   28.663  1111.48   40.719  1111.99   40.354  640.589   11.763  640.750   11.655 -0.1606445 16.55944 
1 1 1  -14    7   38 o  776.560   9.7268  1635.09   40.806  1654.78   58.504  1616.44   56.943  781.088   13.861  772.031   13.650 9.057434 19.45360 
1 1 1  -14    7   39 o  649.418   8.3930  1143.49   29.452  1133.81   41.470  1153.34   41.835  646.646   11.868  652.190   11.871 -5.543762 16.78596 
1 1 1  -14    7   40 o  560.388   7.4896  851.101   22.679  845.955   32.139  856.205   32.007  558.692   10.646  562.084   10.538 -3.392029 14.97924 
1 1 1  -14    7   41 o  295.236   7.9674  235.956   12.698  222.995   17.541  250.225   18.405  286.729   11.321  303.742   11.214 -17.01318 15.93476 
1 1 1  -14    7   42 o  210.281   12.912  120.203   14.672  120.203   14.672   0.0000   0.0000  210.281   12.912  ?   ?       ?      ? 
1 1 1  -14    7   43 o  212.173   9.3172  122.251   10.594  101.982   14.578  144.932   15.422  193.485   13.943  230.860   12.362 -37.37524 18.63443 
1 1 1  -14    7   44 o   52.054   15.830  -0.9222   8.1321  -4.5518   11.831   2.3288   11.197   49.025   21.893   55.082   22.870 -6.057140 31.65977 
1 1 1  -14    7   45 o  153.917   7.3190   64.183   6.0750   70.052   8.8664   58.990   8.3405  160.538   10.221  147.296   10.479 13.24289 14.63794 
1 1 1  -14    7   46 o  609.092   7.9982  1010.45   26.321  1017.27   37.609  1003.91   36.849  611.072   11.390  607.113   11.232 3.959290 15.99645 
1 1 1  -14    7   47 o  217.249   6.1540  128.309   7.2126  125.779   10.443  130.616   9.9732  215.163   8.9822  219.335   8.4147 -4.172562 12.30800 
1 1 1  -14    7   48 o  437.030   6.4492  519.395   15.222  526.074   21.934  513.188   21.143  439.703   9.2314  434.358   9.0082 5.345306 12.89837 
1 1 1  -14    7   49 o  441.151   6.5113  529.550   15.505  539.695   22.546  520.447   21.357  445.092   9.3741  437.209   9.0397 7.882935 13.02266 
1 1 1  -14    7   50 o  138.323   7.9368   52.563   5.9034   49.829   8.6432   54.953   8.0824  134.835   11.863  141.810   10.547 -6.974380 15.87364 
1 1 1  -14    7   51 o  311.739   5.8325  264.214   9.8061  272.176   14.401  257.331   13.390  316.053   8.4320  307.425   8.0605 8.628143 11.66493 
1 1 1  -14    7   52 o  327.005   5.8471  290.728   10.300  302.469   15.284  280.959   13.942  332.951   8.4953  321.059   8.0363 11.89194 11.69411 
1 1 1  -14    7   53 o  359.514   8.3541  352.833   16.229   0.0000   0.0000  352.833   16.229  ?   ?   359.514   8.3541      ?      ? 
1 1 1  -14    7   54 o  178.310   6.7285   87.218   6.4589   87.635   9.5636   86.869   8.7581  178.585   9.9103  178.035   9.1037 0.5498505 13.45701 
1 1 1  -14    7   55 o  241.003   5.8088  159.036   7.5489  157.207   11.002  160.664   10.377  239.586   8.4980  242.420   7.9216 -2.833862 11.61757 
1 1 1  -14    7   56 o  145.833   7.3887   58.555   5.7996   61.709   8.6724   56.002   7.8005  149.271   10.752  142.395   10.138 6.876724 14.77740 
1 1 1  -14    7   57 o  185.885   6.6047   94.785   6.6062  107.852   9.6702   83.351   9.0461  197.958   9.0401  173.812   9.6314 24.14624 13.20940 
1 1 1  -14    7   58 o  160.048   7.2770   71.005   6.2882   75.166   9.0559   67.131   8.7383  164.615   10.181  155.480   10.401 9.135345 14.55408 
1 1 1  -14    7   59 o   79.180   12.336   17.894   5.6562   32.457   8.5955   6.7718   7.5118  106.274   14.968   52.085   19.614 54.18855 24.67261 
1 1 1  -14    7   60 o  143.488   8.2868   59.125   6.2740   48.252   9.2719   68.308   8.5211  130.318   13.167  156.659   10.066 -26.34157 16.57362 
1 1 1  -14    7   61 o   47.540   13.788   3.8684   5.6612   4.1879   8.0651   3.5580   7.9486   48.132   19.635   46.949   19.362 1.183002 27.57570 
1 1 1  -14    7   62 o  221.730   8.1912  139.971   9.3548  142.008   11.668  136.306   15.652  225.607   9.5712  217.854   13.296 7.753754 16.38231 
1 1 1  -14    7   63 o   34.370   11.606  -8.9065   6.0752 -11.7947   8.8749  -6.3598   8.3338   33.057   16.023   35.684   16.795 -2.627163 23.21210 
1 1 1  -14    7   64 f   91.274   16.304   28.570   7.5670   27.297   14.316   29.063   8.9141   85.906   27.371   96.643   17.723 -10.73646 32.60775 
1 1 1  -14    7   65 o   83.954   14.209   24.570   6.7352   15.536   10.369   31.164   8.8583   66.827   23.336  101.082   16.218 -34.25502 28.41807 
1 1 1  -14    7   66 f  122.664   10.348   45.589   6.8138   50.527   10.389   41.862   9.0262  128.048   15.015  117.279   14.243 10.76880 20.69568 
1 1 1  -14    7   67 o  135.150   13.102   60.801   9.5529   59.414   13.750   62.095   13.282  132.776   19.164  137.524   17.873 -4.748169 26.20493 
1 1 1  -14    8    1 o  376.205   6.4936  385.463   12.675  392.424   15.922  373.423   20.941  380.940   7.7350  371.470   10.433 9.470825 12.98730 
1 1 1  -14    8    2 o  375.263   6.4999  383.273   12.682  389.703   15.970  372.297   20.866  379.615   7.7854  370.910   10.411 8.705078 12.99974 
1 1 1  -14    8    3 o  590.445   10.575  944.912   33.735  952.027   48.168  938.063   47.263  592.614   15.042  588.275   14.868 4.339722 21.14965 
1 1 1  -14    8    4 o  279.812   6.3917  211.805   9.6636  209.167   13.676  214.437   13.657  278.069   9.1015  281.555   8.9765 -3.486053 12.78336 
1 1 1  -14    8    5 o  334.151   7.0103  302.047   12.657  296.396   17.756  307.883   18.046  330.974   9.9281  337.328   9.9001 -6.353668 14.02066 
1 1 1  -14    8    6 o  318.925   6.8381  275.083   11.782  268.468   16.490  281.982   16.841  315.009   9.6875  322.842   9.6536 -7.832275 13.67623 
1 1 1  -14    8    7 o  857.437   12.855  1993.35   56.034  2002.48   97.527  1988.85   68.463  858.227   21.030  856.648   14.790 1.579651 25.70968 
1 1 1  -14    8    8 o  212.579   4.4384  121.634   5.0801  128.135   7.5794  116.332   6.8452  217.711   6.4427  207.448   6.1065 10.26309 8.876759 
1 1 1  -14    8    9 o  539.521   6.9738  787.446   20.331  780.569   28.625  794.447   28.881  537.144   9.8621  541.898   9.8628 -4.753906 13.94761 
1 1 1  -14    8   10 o  179.067   5.6721   80.816   4.9273  100.225   9.7585   74.174   5.7084  192.489   9.3819  165.645   6.3775 26.84367 11.34426 
1 1 1  -14    8   11 o  169.196   6.5374   76.962   5.9588   84.572   8.8334   70.608   8.0720  176.824   9.2448  161.568   9.2457 15.25612 13.07475 
1 1 1  -14    8   12 o  504.104   9.3933  688.188   25.587  683.784   36.236  692.568   36.135  502.490   13.345  505.718   13.223 -3.227783 18.78668 
1 1 1  -14    8   13 o  389.236   5.5429  409.487   11.656  400.500   16.288  418.921   16.687  384.861   7.8321  393.611   7.8457 -8.750671 11.08588 
1 1 1  -14    8   14 o  533.327   6.9278  768.341   19.942  789.866   29.056  749.172   27.419  540.370   9.9507  526.284   9.6415 14.08508 13.85552 
1 1 1  -14    8   15 o  541.696   7.0213  793.545   20.551  782.619   28.841  804.814   29.290  537.909   9.9224  545.483   9.9369 -7.573303 14.04259 
1 1 1  -14    8   16 o  660.107   8.2835  1178.71   29.539  1191.08   42.354  1167.00   41.219  663.469   11.814  656.746   11.615 6.722717 16.56694 
1 1 1  -14    8   17 o  637.594   8.0462  1099.35   27.715  1079.60   38.655  1120.26   39.757  631.706   11.324  643.483   11.434 -11.77673 16.09238 
1 1 1  -14    8   18 o  1008.71   12.208  2757.20   66.543  2745.44   93.812  2769.10   94.402  1006.54   17.248  1010.86   17.282 -4.320862 24.41648 
1 1 1  -14    8   19 o  354.238   5.3289  338.929   10.190  345.345   14.801  333.147   14.051  357.419   7.6633  351.057   7.4068 6.362762 10.65771 
1 1 1  -14    8   20 o  742.285   9.2037  1490.75   36.915  1478.75   51.916  1503.03   52.500  739.264   12.996  745.305   13.036 -6.041077 18.40744 
1 1 1  -14    8   21 o  952.510   11.566  2455.73   59.518  2420.31   83.045  2493.15   85.344  945.461   16.255  959.558   16.459 -14.09613 23.13293 
1 1 1  -14    8   22 o  148.785   7.5311   59.837   6.0549   0.0000   0.0000   59.837   6.0549  ?   ?   148.785   7.5311      ?      ? 
1 1 1  -14    8   23 o  671.891   8.4436  1221.11   30.656  1220.73   43.462  1221.49   43.246  671.784   11.973  671.998   11.910 -0.2133179 16.88728 
1 1 1  -14    8   24 o  206.864   4.9465  115.355   5.5182  120.411   8.1216  111.018   7.5208  211.062   7.1210  202.666   6.8675 8.396469 9.892953 
1 1 1  -14    8   25 o  674.814   8.4800  1230.45   30.897  1197.63   42.667  1266.64   44.802  665.372   11.867  684.255   12.117 -18.88300 16.96009 
1 1 1  -14    8   26 o  475.567   6.4756  611.458   16.640  601.615   23.425  621.484   23.641  471.703   9.1903  479.431   9.1254 -7.728241 12.95121 
1 1 1  -14    8   27 o  699.687   8.7710  1322.19   33.121  1279.46   45.479  1370.44   48.330  687.685   12.239  711.689   12.567 -24.00323 17.54200 
1 1 1  -14    8   28 o  157.526   6.1303   67.084   5.2177   66.417   7.3137   67.774   7.4459  156.730   8.6357  158.322   8.7034 -1.592102 12.26070 
1 1 1  -14    8   29 o  128.363   7.2922   44.662   5.0407   43.328   7.3777   45.830   6.9032  126.554   10.788  130.171   9.8141 -3.616890 14.58444 
1 1 1  -14    8   30 o  950.995   11.605  2451.49   59.636  2451.67   84.479  2451.31   84.199  951.026   16.439  950.965   16.385 0.6042480E-01 23.21012 
1 1 1  -14    8   31 o  888.317   10.909  2138.06   52.363  2129.43   73.945  2146.74   74.161  886.518   15.436  890.117   15.419 -3.599365 21.81739 
1 1 1  -14    8   32 o  831.444   10.296  1872.63   46.259  1860.62   65.242  1884.77   65.601  828.763   14.568  834.125   14.554 -5.362061 20.59272 
1 1 1  -14    8   33 o  580.924   7.6775  911.663   24.074  880.078   33.115  947.068   35.061  570.281   10.746  591.567   10.968 -21.28674 15.35499 
1 1 1  -14    8   34 o  441.249   6.4926  526.328   15.476  512.180   21.569  541.338   22.217  435.142   9.1732  447.356   9.1908 -12.21335 12.98529 
1 1 1  -14    8   35 o  820.002   10.186  1822.77   45.136  1816.32   63.762  1829.25   63.902  818.546   14.415  821.458   14.396 -2.911865 20.37283 
1 1 1  -14    8   36 o  876.599   10.827  2083.98   51.265  2048.90   71.343  2121.43   73.716  869.005   15.193  884.194   15.429 -15.18939 21.65327 
1 1 1  -14    8   37 o  570.896   7.5955  882.547   23.431  878.590   33.199  886.474   33.075  569.615   10.786  572.176   10.697 -2.560120 15.19107 
1 1 1  -14    8   38 o  507.826   7.0409  698.035   19.315  681.545   26.915  715.545   27.735  501.650   9.9291  514.003   9.9856 -12.35364 14.08185 
1 1 1  -14    8   39 o  374.739   6.0486  379.900   12.231  384.814   17.830  375.534   16.808  377.009   8.7523  372.470   8.3509 4.539368 12.09715 
1 1 1  -14    8   40 o  517.036   9.9388  726.360   27.766  717.793   39.036  735.135   39.504  513.950   14.056  520.122   14.056 -6.171692 19.87763 
1 1 1  -14    8   41 o  229.132   8.7438  142.136   10.792  159.009   15.714  127.072   14.848  241.995   12.017  216.269   12.705 25.72606 17.48753 
1 1 1  -14    8   42 f  279.020   12.105  211.599   18.251  211.599   18.251   0.0000   0.0000  279.020   12.105  ?   ?       ?      ? 
1 1 1  -14    8   43 o   67.822   16.740   9.8649   7.9682   2.8041   10.834   18.185   11.760   54.943   22.625   80.701   24.677 -25.75797 33.47912 
1 1 1  -14    8   44 f   65.986   13.062  -0.0989   6.3913   29.640   11.479 -13.4589   7.6941  101.661   21.565   30.312   14.744 71.34934 26.12333 
1 1 1  -14    8   45 o  169.073   7.0578   77.791   6.4406   75.930   9.2645   79.532   8.9599  167.083   10.261  171.062   9.6931 -3.978683 14.11554 
1 1 1  -14    8   46 f  303.249   5.7919  249.555   9.4877  249.364   13.595  249.737   13.247  303.118   8.2999  303.380   8.0807 -0.2623901 11.58384 
1 1 1  -14    8   47 o  472.584   6.7400  607.359   17.202  614.932   24.816  600.356   23.866  475.374   9.6606  469.794   9.4011 5.579285 13.47992 
1 1 1  -14    8   48 o  281.884   5.7824  216.163   8.7918  212.768   12.768  219.225   12.124  279.720   8.4469  284.048   7.8992 -4.327728 11.56487 
1 1 1  -14    8   49 f  715.727   9.1929  1407.08   35.553  1406.61   50.481  1407.53   50.081  715.561   13.055  715.893   12.946 -0.3322144 18.38588 
1 1 1  -14    8   50 o  177.078   6.9393   86.094   6.5966   80.204   9.6835   91.194   9.0108  171.269   10.463  182.888   9.1179 -11.61887 13.87860 
1 1 1  -14    8   51 o  290.706   5.7987  229.515   9.0779  239.851   13.515  221.018   12.254  296.576   8.4332  284.837   7.9613 11.73874 11.59745 
1 1 1  -14    8   52 o   93.617   11.384   24.636   5.5807   30.169   8.3327   20.136   7.5151  104.057   14.819   83.178   17.285 20.87950 22.76774 
1 1 1  -14    8   53 o  220.029   6.0572  132.728   7.1793  124.187   10.326  140.719   9.9883  213.035   8.9702  227.025   8.1420 -13.98990 12.11431 
1 1 1  -14    8   54 o  135.709   7.9318   50.584   5.7957   54.888   8.6553   47.085   7.8034  140.866   11.371  130.552   11.062 10.31473 15.86351 
1 1 1  -14    8   55 o  157.626   7.2169   68.645   6.1360   65.600   8.8053   71.520   8.5553  154.104   10.574  161.148   9.8248 -7.044662 14.43389 
1 1 1  -14    8   56 o  144.825   7.7979   58.783   6.0369   51.422   8.7852   65.369   8.3096  135.807   11.971  153.844   9.9957 -18.03639 15.59571 
1 1 1  -14    8   57 o  149.637   7.6397   62.333   6.1591   60.039   8.9528   64.395   8.4865  146.832   11.284  152.443   10.302 -5.611023 15.27931 
1 1 1  -14    8   58 o  167.274   7.1413   77.308   6.4204   81.079   9.6770   74.343   8.5810  170.725   10.490  163.823   9.6934 6.901535 14.28257 
1 1 1  -14    8   59 o  131.963   8.5646   49.015   6.0681   49.829   9.1377   48.373   8.1159  132.645   12.748  131.281   11.441 1.364471 17.12928 
1 1 1  -14    8   60 o  172.545   7.3402   83.062   6.8244   82.862   10.023   83.234   9.3179  172.141   10.775  172.948   9.9704 -0.8067322 14.68040 
1 1 1  -14    8   61 o  100.313   13.800   30.471   6.9461   27.886   8.5885   35.360   11.810   95.689   17.244  104.938   21.549 -9.249504 27.59961 
1 1 1  -14    8   62 o   98.438   14.796   29.287   7.4254   22.797   9.2057   41.374   12.562   83.813   20.497  113.063   21.344 -29.25031 29.59213 
1 1 1  -14    8   63 o  152.399   10.569   67.369   7.8927   72.590   14.759   65.278   9.3404  153.626   17.779  151.171   11.434 2.454819 21.13885 
1 1 1  -14    8   64 o  135.471   10.234   54.622   7.3225   48.567   11.148   59.215   9.7109  127.424   16.191  143.518   12.522 -16.09418 20.46809 
1 1 1  -14    8   65 f   38.636   12.560  -2.8317   6.0298   0.8119   8.8898  -5.9365   8.2061   42.537   18.988   34.734   16.444 7.803600 25.11903 
1 1 1  -14    8   66 o   50.965   15.606   5.0043   7.6104   5.1261   13.126   4.9426   9.3405   53.198   23.446   48.731   20.602 4.467144 31.21137 
1 1 1  -14    8   67 o  196.975   10.355  121.074   10.971  125.203   16.394  117.725   14.765  198.859   15.256  195.091   14.006 3.768158 20.71038 
1 1 1  -14    9    1 o  257.483   6.2710  179.330   8.7242  176.509   12.351  182.140   12.325  255.459   8.9472  259.506   8.7892 -4.047470 12.54205 
1 1 1  -14    9    2 o  517.458   9.5010  725.117   26.565  717.568   37.307  732.883   37.835  514.728   13.413  520.187   13.460 -5.459595 19.00203 
1 1 1  -14    9    3 o  490.278   12.921  650.901   34.231  650.901   34.231   0.0000   0.0000  490.278   12.921  ?   ?       ?      ? 
1 1 1  -14    9    4 o  526.053   13.673  749.549   38.867  749.549   38.867   0.0000   0.0000  526.053   13.673  ?   ?       ?      ? 
1 1 1  -14    9    5 o  414.105   5.8137  463.270   13.002  448.654   18.042  479.061   18.754  407.318   8.1974  420.892   8.2461 -13.57422 11.62733 
1 1 1  -14    9    6 o  486.552   6.4848  640.313   17.049  635.468   24.063  645.196   24.159  484.703   9.1874  488.402   9.1542 -3.698120 12.96950 
1 1 1  -14    9    7 o  488.842   6.5042  646.310   17.179  649.370   24.532  643.365   24.063  489.973   9.2657  487.711   9.1304 2.262665 13.00843 
1 1 1  -14    9    9 o  682.542   12.123  1263.12   44.700  1277.48   64.129  1249.55   62.340  686.291   17.293  678.792   16.996 7.498779 24.24650 
1 1 1  -14    9   10 o  634.835   11.378  1092.46   39.032  1089.64   55.282  1095.27   55.117  634.011   16.136  635.658   16.046 -1.647644 22.75639 
1 1 1  -14    9   11 o  205.165   6.6330  114.180   7.3245  102.748   10.380  125.518   10.337  194.895   9.8560  215.435   8.8795 -20.53976 13.26602 
1 1 1  -14    9   12 o  119.268   5.8036   38.841   3.7007   35.034   5.4720   42.051   5.0239  113.820   8.8969  124.715   7.4547 -10.89512 11.60718 
1 1 1  -14    9   13 o  812.878   9.9896  1788.57   43.866  1812.24   62.968  1766.25   61.144  818.087   14.244  807.668   14.010 10.41858 19.97927 
1 1 1  -14    9   14 o  400.910   5.6924  434.557   12.329  434.621   17.632  434.496   17.246  400.936   8.1386  400.884   7.9611 0.5194092E-01 11.38489 
1 1 1  -14    9   15 o  765.453   9.4628  1585.89   39.138  1592.76   55.717  1579.21   54.988  767.081   13.442  763.825   13.323 3.256531 18.92552 
1 1 1  -14    9   16 o  585.136   7.5237  925.659   23.777  939.542   34.276  912.783   33.011  589.355   10.763  580.917   10.516 8.437988 15.04747 
1 1 1  -14    9   17 o  995.771   12.069  2686.41   64.942  2676.32   91.607  2696.60   92.079  993.894   17.057  997.648   17.080 -3.754211 24.13864 
1 1 1  -14    9   18 o  572.502   7.3865  886.338   22.850  876.936   32.158  895.926   32.474  569.436   10.451  575.569   10.441 -6.132935 14.77302 
1 1 1  -14    9   19 o  296.405   5.0233  237.492   8.0313  237.132   11.709  237.811   11.037  296.190   7.3157  296.621   6.8858 -0.4311829 10.04663 
1 1 1  -14    9   20 o  895.041   10.927  2168.46   52.848  2170.86   74.931  2166.09   74.547  895.529   15.484  894.552   15.422 0.9767456 21.85410 
1 1 1  -14    9   21 o  583.158   7.5121  919.625   23.670  920.149   33.674  919.113   33.279  583.320   10.683  582.997   10.564 0.3227539 15.02411 
1 1 1  -14    9   22 o  521.711   6.8912  735.995   19.427  731.410   27.534  740.541   27.413  520.091   9.7970  523.331   9.6939 -3.240417 13.78239 
1 1 1  -14    9   23 o  571.741   7.4027  883.972   22.867  887.449   32.653  880.626   32.033  572.840   10.549  570.642   10.388 2.197937 14.80532 
1 1 1  -14    9   24 o  309.309   7.2714  258.609   12.153   0.0000   0.0000  258.609   12.153  ?   ?   309.309   7.2714      ?      ? 
1 1 1  -14    9   25 o  378.526   5.6573  387.459   11.565  383.411   16.579  391.297   16.142  376.596   8.1468  380.457   7.8516 -3.861084 11.31452 
1 1 1  -14    9   26 o  684.104   8.6257  1266.18   31.886  1265.25   45.233  1267.10   44.955  683.851   12.241  684.358   12.156 -0.5074463 17.25148 
1 1 1  -14    9   27 o  250.873   5.3367  170.413   7.2189  165.332   10.467  175.023   9.9695  247.296   7.8326  254.451   7.2507 -7.155487 10.67342 
1 1 1  -14    9   28 o  107.586   8.8026   31.489   5.0901   28.382   7.3072   34.418   7.0946  102.392   13.207  112.780   11.641 -10.38806 17.60513 
1 1 1  -14    9   29 o  538.880   7.1804  785.356   20.906  769.959   29.292  801.342   29.847  533.498   10.161  544.263   10.149 -10.76489 14.36086 
1 1 1  -14    9   30 o  529.885   7.1538  758.860   20.462  773.548   29.740  745.658   28.196  534.738   10.292  525.032   9.9385 9.706116 14.30760 
1 1 1  -14    9   31 o  419.512   6.2298  475.710   14.118  459.960   19.736  492.215   20.204  412.402   8.8564  426.621   8.7639 -14.21945 12.45961 
1 1 1  -14    9   32 o  338.958   5.9150  310.813   10.831  305.145   15.414  316.341   15.221  335.900   8.4923  342.017   8.2359 -6.116669 11.83006 
1 1 1  -14    9   33 o  719.152   9.1136  1399.55   35.401  1367.24   49.214  1434.19   50.963  710.566   12.817  727.738   12.960 -17.17163 18.22717 
1 1 1  -14    9   34 o  461.285   6.6864  575.745   16.661  574.378   23.852  577.048   23.284  460.742   9.5804  461.828   9.3300 -1.086456 13.37287 
1 1 1  -14    9   35 o  671.800   8.6256  1222.67   31.312  1219.13   44.284  1226.21   44.281  670.824   12.216  672.776   12.180 -1.951721 17.25123 
1 1 1  -14    9   36 o  687.623   8.7952  1280.38   32.668  1252.44   45.441  1310.25   46.997  679.877   12.369  695.369   12.507 -15.49225 17.59042 
1 1 1  -14    9   37 o  162.244   10.720   71.311   9.3983   0.0000   0.0000   71.311   9.3983  ?   ?   162.244   10.720      ?      ? 
1 1 1  -14    9   38 o  247.793   6.0358  166.274   8.0788  163.335   11.517  169.120   11.335  245.629   8.6771  249.957   8.3924 -4.328247 12.07167 
1 1 1  -14    9   39 o  477.082   9.5398  617.735   24.584  602.928   34.205  633.558   35.359  471.183   13.434  482.982   13.548 -11.79947 19.07951 
1 1 1  -14    9   40 o  165.070   10.183   73.777   9.0353   77.342   13.610   70.968   12.081  168.577   14.941  161.564   13.838 7.012238 20.36524 
1 1 1  -14    9   41 o  306.247   12.532  254.955   20.738  254.955   20.738   0.0000   0.0000  306.247   12.532  ?   ?       ?      ? 
1 1 1  -14    9   42 o  526.602   10.316  755.837   29.347  736.712   40.903  776.126   42.129  519.750   14.564  533.455   14.615 -13.70490 20.63255 
1 1 1  -14    9   43 o  331.172   8.3846  298.378   14.971  299.099   21.926  297.748   20.492  331.471   12.241  330.874   11.461 0.5966797 16.76926 
1 1 1  -14    9   44 o  163.500   7.2557   73.019   6.3724   69.030   9.3785   76.440   8.6853  159.266   10.897  167.733   9.5825 -8.466919 14.51133 
1 1 1  -14    9   45 o  271.569   5.8029  200.422   8.5010  193.347   12.244  207.006   11.812  266.894   8.4897  276.244   7.9131 -9.349976 11.60573 
1 1 1  -14    9   46 f  100.504   10.819   28.917   5.5561   22.479   8.1774   34.438   7.5724   88.737   17.675  112.270   12.482 -23.53251 21.63790 
1 1 1  -14    9   47 o  171.900   6.9013   79.919   6.3876   88.783   9.5017   72.610   8.6283  180.538   9.7397  163.263   9.7802 17.27489 13.80265 
1 1 1  -14    9   48 o  234.815   5.9973  149.138   7.5577  157.088   11.491  143.078   10.033  240.226   8.8522  229.404   8.0936 10.82222 11.99451 
1 1 1  -14    9   49 o  290.516   5.8537  229.662   9.1598  229.627   13.505  229.691   12.466  290.413   8.6055  290.619   7.9378 -0.2060242 11.70737 
1 1 1  -14    9   50 o   50.267   13.309   2.5015   5.3756   11.586   8.3520  -3.9234   7.0238   64.418   20.944   36.116   16.429 28.30233 26.61893 
1 1 1  -14    9   51 f  351.363   5.9588  335.506   11.281  353.579   16.742  320.477   15.267  359.922   8.6081  342.805   8.2418 17.11725 11.91754 
1 1 1  -14    9   52 o  200.238   6.3069  110.226   6.7786  103.026   9.9710  116.414   9.2431  193.962   9.5133  206.514   8.2829 -12.55200 12.61387 
1 1 1  -14    9   53 o  108.635   9.3963   32.827   5.5048   33.564   8.0793   32.188   7.5206  109.687   13.631  107.584   12.936 2.102921 18.79253 
1 1 1  -14    9   54 o  119.971   8.7443   40.029   5.6527   39.846   8.2985   40.188   7.7209  119.582   12.842  120.361   11.871 -0.7781982 17.48863 
1 1 1  -14    9   55 o  196.216   6.4682  105.939   6.8537  105.138   9.8480  106.691   9.5443  195.428   9.3255  197.005   8.9656 -1.576508 12.93632 
1 1 1  -14    9   56 o  163.889   7.1681   74.752   6.3040   67.916   9.1658   80.889   8.6841  156.462   10.841  171.316   9.3808 -14.85403 14.33625 
1 1 1  -14    9   57 o   41.770   12.734  -1.5209   5.5298   4.6579   7.9749  -7.2431   7.6745   49.415   19.751   34.125   16.078 15.28915 25.46771 
1 1 1  -14    9   58 o  130.041   8.7805   48.255   6.0858   41.339   8.8647   54.420   8.3700  120.574   13.606  139.508   11.103 -18.93436 17.56103 
1 1 1  -14    9   59 o  118.739   9.6933   40.178   6.1600   47.673   8.9269   33.364   8.5110  129.734   12.734  107.744   14.618 21.99005 19.38668 
1 1 1  -14    9   60 o  105.065   10.976   31.976   6.2052   34.414   9.3084   30.025   8.3247  108.468   15.881  101.663   15.154 6.805275 21.95107 
1 1 1  -14    9   61 o   66.004   15.788   14.188   6.9306   17.295   8.4511   7.8086   12.111   73.387   20.514   58.622   24.005 14.76480 31.57649 
1 1 1  -14    9   62 o  245.215   8.2202  170.754   9.7821  175.383   18.442  168.941   11.539  244.445   13.961  245.985   8.6812 -1.539719 16.44040 
1 1 1  -14    9   63 f  113.550   14.763   44.288   7.7889   34.550   14.246   48.441   9.3025   97.876   26.350  129.224   13.322 -31.34746 29.52658 
1 1 1  -14    9   64 o   98.980   13.054   32.011   6.6582   21.109   9.5972   42.127   9.2449   78.613   21.821  119.348   14.335 -40.73510 26.10810 
1 1 1  -14    9   65 o   79.041   15.099   22.257   6.5704   27.257   10.153   18.655   8.6181   86.405   21.759   71.677   20.939 14.72806 30.19756 
1 1 1  -14    9   66 o   76.790   18.730   24.475   9.5412   30.788   14.121   19.171   12.943   84.977   27.195   68.603   25.763 16.37407 37.46088 
1 1 1  -14   10    1 o  538.167   7.0375  783.485   20.465  785.213   29.092  781.792   28.793  538.751   9.9929  537.582   9.9120 1.169006 14.07497 
1 1 1  -14   10    2 o  559.070   7.2642  845.603   21.944  846.970   31.201  844.266   30.870  559.513   10.320  558.626   10.226 0.8870850 14.52846 
1 1 1  -14   10    3 o  426.664   5.9473  492.304   13.711  489.733   19.427  494.855   19.355  425.553   8.4483  427.776   8.3731 -2.223297 11.89459 
1 1 1  -14   10    4 o  367.701   5.4578  365.576   10.844  360.137   15.311  371.049   15.359  364.955   7.7640  370.446   7.6729 -5.490753 10.91568 
1 1 1  -14   10    5 o  376.819   5.5857  383.893   11.373  376.821   15.995  391.124   16.173  373.309   7.9291  380.330   7.8696 -7.021088 11.17147 
1 1 1  -14   10    6 o  317.328   7.0801  272.234   12.140   0.0000   0.0000  272.234   12.140  ?   ?   317.328   7.0801      ?      ? 
1 1 1  -14   10    7 o  584.807   9.3891  894.192   26.700  998.874   51.584  855.884   31.205  607.137   15.723  562.478   10.267 44.65906 18.77822 
1 1 1  -14   10    8 o  727.423   12.863  1434.76   50.550  1449.78   72.414  1420.49   70.597  731.112   18.329  723.734   18.052 7.378479 25.72610 
1 1 1  -14   10    9 o  312.514   7.3030  263.851   12.322  248.874   17.118  279.955   17.750  303.318   10.444  321.710   10.211 -18.39169 14.60596 
1 1 1  -14   10   10 o  229.654   5.9051  145.119   7.1071  154.316   9.1790  131.351   11.231  238.923   7.1097  220.384   9.4304 18.53931 11.81018 
1 1 1  -14   10   11 o  822.050   10.109  1829.73   44.904  1826.59   63.502  1832.86   63.506  821.344   14.308  822.756   14.284 -1.411743 20.21770 
1 1 1  -14   10   12 o  193.942   4.8683  101.499   5.0741  103.321   7.6141  100.043   6.8055  195.501   7.2074  192.383   6.5464 3.117554 9.736650 
1 1 1  -14   10   13 o  315.882   7.2036  269.735   12.296   0.0000   0.0000  269.735   12.296  ?   ?   315.882   7.2036      ?      ? 
1 1 1  -14   10   14 f  353.653   5.3831  337.977   10.277  340.982   14.905  335.253   14.189  355.147   7.7665  352.159   7.4562 2.988159 10.76628 
1 1 1  -14   10   15 o  366.661   5.5110  363.477   10.917  361.233   15.554  365.655   15.326  365.543   7.8746  367.778   7.7119 -2.235229 11.02196 
1 1 1  -14   10   16 o  241.079   4.9471  157.436   6.4305  149.485   9.2427  164.895   8.9523  235.163   7.2735  246.995   6.7075 -11.83229 9.894128 
1 1 1  -14   10   17 o  480.529   6.5083  624.118   16.891  630.187   24.326  618.468   23.472  482.780   9.3246  478.279   9.0820 4.501190 13.01651 
1 1 1  -14   10   18 o  527.626   6.9759  752.565   19.887  739.016   27.889  766.580   28.366  522.795   9.8722  532.456   9.8587 -9.661255 13.95188 
1 1 1  -14   10   19 o  463.775   6.3894  581.366   16.006  585.940   23.000  577.071   22.288  465.540   9.1431  462.010   8.9277 3.529755 12.77886 
1 1 1  -14   10   20 o  1512.60   18.089  6213.89  147.836  6165.33  207.442  6264.01  210.740  1506.62   25.480  1518.57   25.682 -11.94678 36.17719 
1 1 1  -14   10   21 o   47.755   12.164   4.9486   3.9799   6.4339   6.1655   3.8875   5.2110   51.679   17.997   43.832   16.369 7.846924 24.32828 
1 1 1  -14   10   22 o  342.203   5.4155  316.136   9.9946  322.941   14.662  310.230   13.660  345.633   7.8503  338.772   7.4622 6.861633 10.83103 
1 1 1  -14   10   23 o  1095.14   13.225  3250.35   78.261  3248.43  110.719  3252.27  110.636  1094.81   18.715  1095.46   18.690 -0.6520996 26.44960 
1 1 1  -14   10   24 o  686.880   8.6663  1276.45   32.166  1269.13   45.469  1283.78   45.510  684.906   12.286  688.853   12.226 -3.946960 17.33253 
1 1 1  -14   10   25 o  543.622   7.2041  799.270   21.161  796.155   30.065  802.328   29.789  542.569   10.255  544.676   10.121 -2.106506 14.40821 
1 1 1  -14   10   26 o  256.519   5.3473  178.305   7.3939  169.786   10.667  186.184   10.258  250.601   7.8770  262.437   7.2338 -11.83600 10.69458 
1 1 1  -14   10   27 o  568.864   7.4864  874.929   23.005  854.860   32.034  896.302   33.058  562.135   10.546  575.594   10.629 -13.45862 14.97282 
1 1 1  -14   10   28 o  822.131   10.184  1829.54   45.223  1790.22   62.830  1871.80   65.142  812.987   14.302  831.274   14.502 -18.28711 20.36799 
1 1 1  -14   10   29 o  809.738   10.074  1775.73   44.080  1762.88   62.134  1788.76   62.545  806.787   14.252  812.689   14.242 -5.902161 20.14871 
1 1 1  -14   10   30 o  538.459   7.2721  784.385   21.158  773.795   29.847  795.084   29.998  534.802   10.328  542.115   10.240 -7.313049 14.54416 
1 1 1  -14   10   31 o  645.634   8.3525  1128.40   29.137  1128.30   41.523  1128.49   40.895  645.596   11.903  645.672   11.721 -0.7604980E-01 16.70508 
1 1 1  -14   10   32 f  383.427   6.2007  397.158   12.837  375.513   17.842  420.384   18.483  372.605   8.8616  394.248   8.6757 -21.64288 12.40145 
1 1 1  -14   10   33 o  326.716   5.9897  288.743   10.574  287.520   15.028  289.943   14.880  326.028   8.5301  327.404   8.4108 -1.375885 11.97935 
1 1 1  -14   10   34 o  284.331   6.0089  218.518   9.2281  210.747   12.837  226.828   13.275  279.104   8.5115  289.558   8.4842 -10.45377 12.01779 
1 1 1  -14   10   35 o  337.514   6.0752  308.125   11.055  309.371   16.201  307.040   15.123  338.137   8.8668  336.891   8.3074 1.245880 12.15046 
1 1 1  -14   10   36 o  441.671   6.5094  528.100   15.534  517.971   21.939  538.284   21.997  437.417   9.2817  445.926   9.1290 -8.509125 13.01876 
1 1 1  -14   10   37 o  460.843   6.6399  575.027   16.533  562.326   23.218  588.090   23.547  455.678   9.4294  466.009   9.3509 -10.33099 13.27977 
1 1 1  -14   10   38 o   74.950   16.706   13.653   8.3433   3.1306   11.777   24.257   11.822   57.613   23.641   92.286   23.610 -34.67311 33.41139 
1 1 1  -14   10   39 o  829.342   14.671  1883.87   65.748  1886.94   93.394  1880.86   92.574  829.970   20.824  828.713   20.673 1.256348 29.34291 
1 1 1  -14   10   40 o  163.178   11.539   72.308   10.175   72.308   10.175   0.0000   0.0000  163.178   11.539  ?   ?       ?      ? 
1 1 1  -14   10   41 o  513.611   10.169  719.074   28.222  710.586   39.750  727.703   40.076  510.546   14.408  516.676   14.354 -6.129913 20.33829 
1 1 1  -14   10   42 o  376.279   8.7734  385.634   17.828  376.577   25.445  394.369   24.988  371.878   12.662  380.680   12.147 -8.802124 17.54674 
1 1 1  -14   10   43 o  278.987   5.8619  210.744   8.8160  216.654   12.994  205.703   12.001  282.574   8.5099  275.400   8.0640 7.174133 11.72376 
1 1 1  -14   10   44 o  552.646   7.4889  831.034   22.363  820.286   31.460  842.011   31.795  549.029   10.604  556.262   10.578 -7.232849 14.97772 
1 1 1  -14   10   45 o  415.340   6.3314  468.446   14.206  453.611   19.869  483.963   20.319  408.604   8.9987  422.076   8.9091 -13.47217 12.66289 
1 1 1  -14   10   46 o  111.040   9.5384   33.271   5.6765   39.339   8.6617   28.702   7.5154  119.786   13.382  102.293   13.596 17.49291 19.07679 
1 1 1  -14   10   47 o  122.845   8.5676   41.356   5.6437   41.156   8.5109   41.514   7.5398  122.474   12.860  123.217   11.324 -0.7434158 17.13521 
1 1 1  -14   10   48 o  192.918   6.5298  102.068   6.7628   92.084   9.7845  111.200   9.3578  183.713   9.8563  202.123   8.5678 -18.41014 13.05957 
1 1 1  -14   10   49 o  234.381   5.9758  148.411   7.5176  159.968   11.457  139.673   9.9622  242.259   8.7517  226.504   8.1394 15.75520 11.95165 
1 1 1  -14   10   50 o  140.524   7.7982   54.031   5.8868   55.968   8.8797   52.513   7.8632  142.660   11.519  138.389   10.515 4.271042 15.59643 
1 1 1  -14   10   51 o   88.574   11.976   22.073   5.5861   27.513   8.4496   17.849   7.4451   99.138   15.773   78.010   18.024 21.12804 23.95105 
1 1 1  -14   10   52 o  141.052   8.0327   55.951   5.9971   47.286   8.9416   63.035   8.0853  130.575   12.673  151.530   9.8744 -20.95459 16.06547 
1 1 1  -14   10   53 o   49.715   13.621   4.6923   5.2829   7.5234   7.7747   2.2638   7.2007   54.893   20.085   44.536   18.403 10.35699 27.24107 
1 1 1  -14   10   54 o   68.155   13.889   13.858   5.4071   15.557   7.8287   12.309   7.4769   71.842   19.615   64.467   19.669 7.374573 27.77822 
1 1 1  -14   10   55 o  173.785   6.8719   83.853   6.4088   76.528   9.3366   90.379   8.8129  166.306   10.389  181.264   8.9975 -14.95816 13.74388 
1 1 1  -14   10   56 o  289.455   6.0804  230.650   9.4968  226.782   13.732  234.195   13.148  286.972   8.8556  291.939   8.3344 -4.966949 12.16076 
1 1 1  -14   10   57 o  174.927   7.2096   85.412   6.7750   80.056   9.9218   90.091   9.2737  169.453   10.836  180.400   9.5132 -10.94690 14.41911 
1 1 1  -14   10   58 o   93.303   11.832   25.668   5.8156   29.579   8.5303   22.271   7.9493  101.023   15.626   85.582   17.771 15.44016 23.66377 
1 1 1  -14   10   59 f  182.205   7.1312   92.516   6.9988   91.779   10.288   93.151   9.5486  181.299   10.502  183.111   9.6503 -1.811691 14.26231 
1 1 1  -14   10   60 o   39.394   13.210  -8.5894   7.2185  -7.6834   8.9677 -10.2568   12.166   36.736   17.330   42.052   19.941 -5.316097 26.41943 
1 1 1  -14   10   61 o  205.656   8.7523  120.109   8.8791  123.784   16.313  118.562   10.584  205.475   14.692  205.837   9.5159 -0.3616791 17.50454 
1 1 1  -14   10   62 o  160.600   10.513   78.257   8.3230   70.833   14.668   81.782   10.108  151.663   17.898  169.536   11.033 -17.87350 21.02570 
1 1 1  -14   10   63 o   50.568   21.404   4.0942   10.101   4.0942   10.101   0.0000   0.0000   50.568   21.404  ?   ?       ?      ? 
1 1 1  -14   10   64 o  191.767   7.6657  106.220   7.9199  114.008   11.769   99.773   10.707  197.960   11.002  185.574   10.678 12.38670 15.33133 
1 1 1  -14   10   65 f  168.672   12.167   91.043   10.847   75.631   15.802  104.775   14.915  151.889   19.253  185.455   14.884 -33.56651 24.33485 
1 1 1  -14   10   66 o   86.565   18.156   31.483   9.3218   40.653   13.831   23.851   12.618   99.314   25.608   73.817   25.745 25.49732 36.31208 
1 1 1  -14   11    1 o  360.925   5.5105  352.043   10.742  356.763   15.466  347.643   14.932  363.259   7.8791  358.591   7.7061 4.667938 11.02108 
1 1 1  -14   11    2 o  313.083   5.1523  265.019   8.7154  262.186   12.382  267.802   12.270  311.422   7.3578  314.744   7.2143 -3.321320 10.30455 
1 1 1  -14   11    3 o  395.605   8.0853  423.141   17.284   0.0000   0.0000  423.141   17.284  ?   ?   395.605   8.0853      ?      ? 
1 1 1  -14   11    4 o  796.312   9.8446  1715.83   42.344  1684.39   58.881  1749.50   60.939  788.774   13.815  803.849   14.029 -15.07526 19.68915 
1 1 1  -14   11    5 o  876.503   10.749  2079.92   50.894  2110.47   73.153  2051.25   70.851  882.721   15.336  870.286   15.066 12.43457 21.49849 
1 1 1  -14   11    6 o  957.444   16.563  2490.80   85.691  2472.97  120.535  2509.01  121.846  953.991   23.382  960.897   23.466 -6.905945 33.12689 
1 1 1  -14   11    7 o  416.659   8.5261  467.035   19.110  497.522   28.714  442.793   25.605  428.777   12.393  404.541   11.713 24.23633 17.05219 
1 1 1  -14   11    8 o  505.303   9.6576  691.177   26.369  682.207   37.210  700.225   37.373  502.006   13.717  508.600   13.598 -6.594604 19.31526 
1 1 1  -14   11    9 o  566.236   7.3696  867.196   22.549  860.753   31.780  873.728   31.998  564.118   10.426  568.354   10.419 -4.236084 14.73929 
1 1 1  -14   11   10 f  611.343   7.8673  1011.04   25.989  1005.54   36.768  1016.53   36.741  609.679   11.160  613.007   11.092 -3.327698 15.73460 
1 1 1  -14   11   11 o  555.613   7.2618  834.774   21.797  841.388   31.222  828.486   30.444  557.755   10.359  553.472   10.179 4.282959 14.52362 
1 1 1  -14   11   12 o  612.828   7.8573  1015.69   26.017  1002.37   36.497  1029.45   37.098  608.746   11.095  616.911   11.129 -8.165161 15.71460 
1 1 1  -14   11   13 o  512.951   6.8423  711.317   18.963  698.007   26.583  725.108   27.059  508.066   9.6827  517.836   9.6701 -9.769745 13.68454 
1 1 1  -14   11   14 o  284.936   5.1598  219.557   7.9381  216.725   11.418  222.206   11.044  283.154   7.4621  286.719   7.1283 -3.564697 10.31965 
1 1 1  -14   11   15 o  932.574   11.373  2354.65   57.314  2347.00   80.932  2362.34   81.176  931.056   16.086  934.093   16.082 -3.037231 22.74667 
1 1 1  -14   11   16 o  270.172   5.0743  197.262   7.3958  197.847   10.780  196.742   10.165  270.548   7.3740  269.797   6.9726 0.7506409 10.14853 
1 1 1  -14   11   17 o  1042.28   12.622  2942.40   71.087  2937.74  100.510  2947.07  100.556  1041.45   17.860  1043.10   17.840 -1.654785 25.24363 
1 1 1  -14   11   18 o  134.190   6.6204   48.904   4.7755   46.025   6.9908   51.424   6.5389  130.464   9.9163  137.916   8.7741 -7.452057 13.24079 
1 1 1  -14   11   19 o  732.163   9.1591  1448.29   36.201  1404.50   49.859  1497.10   52.645  720.488   12.807  743.837   13.098 -23.34888 18.31813 
1 1 1  -14   11   20 o  500.613   6.7502  677.536   18.259  665.565   25.641  689.850   26.007  496.127   9.5642  505.099   9.5284 -8.971588 13.50047 
1 1 1  -14   11   21 o  1384.25   16.594  5202.13  124.119  5186.31  175.156  5218.08  175.908  1382.14   23.452  1386.36   23.481 -4.218384 33.18707 
1 1 1  -14   11   22 o  233.097   5.3802  146.899   6.7558  146.599   9.9486  147.155   9.2032  232.871   7.9060  233.322   7.2996 -0.4508362 10.76050 
1 1 1  -14   11   23 o  1012.00   12.296  2774.70   67.241  2764.99   94.918  2784.49   95.268  1010.22   17.388  1013.78   17.391 -3.556580 24.59211 
1 1 1  -14   11   24 o  447.871   6.3784  542.419   15.434  540.806   22.009  543.979   21.650  447.212   9.1073  448.529   8.9327 -1.316742 12.75685 
1 1 1  -14   11   25 o  259.832   5.5523  182.982   7.7750  174.147   11.232  191.109   10.773  253.787   8.1904  265.876   7.4985 -12.08852 11.10452 
1 1 1  -14   11   26 o  540.496   7.2196  790.311   21.085  787.927   29.955  792.652   29.683  539.684   10.272  541.308   10.148 -1.624146 14.43919 
1 1 1  -14   11   28 o  596.346   7.8663  962.101   25.341  968.528   36.351  956.026   35.345  598.273   11.244  594.419   11.004 3.854919 15.73257 
1 1 1  -14   11   29 o  445.863   6.5657  537.805   15.816  528.527   22.435  546.971   22.300  442.034   9.3925  449.692   9.1768 -7.658386 13.13137 
1 1 1  -14   11   30 o  976.581   11.965  2585.90   63.122  2543.68   88.054  2630.54   90.534  968.404   16.827  984.757   17.014 -16.35333 23.92921 
1 1 1  -14   11   31 o  1008.67   12.331  2758.73   67.179  2704.00   93.295  2817.66   96.814  998.328   17.294  1019.02   17.582 -20.69458 24.66192 
1 1 1  -14   11   32 o  618.151   8.1187  1033.89   27.109  1006.51   37.720  1063.13   38.987  609.698   11.449  626.604   11.514 -16.90649 16.23745 
1 1 1  -14   11   33 o  917.266   11.312  2283.65   56.068  2264.26   78.833  2303.49   79.760  913.334   15.973  921.197   16.023 -7.863831 22.62479 
1 1 1  -14   11   34 o  620.566   8.1822  1043.14   27.437  1035.60   38.866  1050.64   38.738  618.320   11.632  622.812   11.510 -4.491943 16.36449 
1 1 1  -14   11   35 o  351.848   6.1795  335.120   11.737  334.008   16.966  336.140   16.255  351.273   8.9380  352.422   8.5355 -1.148346 12.35890 
1 1 1  -14   11   36 o  116.121   10.042   36.495   6.2896   39.232   9.2148   34.108   8.6061  120.182   14.189  112.060   14.212 8.122566 20.08304 
1 1 1  -14   11   37 o  537.185   10.316  784.288   29.931  786.261   42.998  782.432   41.690  537.794   14.796  536.575   14.378 1.219238 20.63152 
1 1 1  -14   11   38 o  788.011   14.022  1698.57   59.697  1707.88   85.308  1689.64   83.567  790.051   19.982  785.971   19.676 4.080688 28.04361 
1 1 1  -14   11   39 o  218.967   10.153  130.050   12.013  130.050   12.013   0.0000   0.0000  218.967   10.153  ?   ?       ?      ? 
1 1 1  -14   11   40 o  316.742   8.7987  273.235   15.039  262.162   21.531  283.784   21.015  310.401   12.837  323.084   12.037 -12.68369 17.59735 
1 1 1  -14   11   41 o  298.419   8.6276  242.359   13.911  240.540   19.766  244.144   19.582  297.292   12.304  299.547   12.098 -2.254730 17.25519 
1 1 1  -14   11   42 o  352.808   6.1458  335.946   11.646  353.644   17.632  322.250   15.511  360.944   9.0403  344.672   8.3281 16.27200 12.29165 
1 1 1  -14   11   43 o  363.082   6.0885  357.862   11.944  349.706   16.831  366.135   16.951  358.901   8.6788  367.263   8.5416 -8.361542 12.17704 
1 1 1  -14   11   44 o  250.462   5.9552  169.999   8.0260  173.488   11.962  167.143   10.824  252.747   8.7588  248.178   8.0709 4.569000 11.91036 
1 1 1  -14   11   45 o  234.122   6.1580  149.409   7.7594  143.513   11.357  154.569   10.626  229.705   9.1500  238.538   8.2438 -8.833359 12.31595 
1 1 1  -14   11   46 o   48.073   13.695   3.1030   5.5096   1.2801   8.0594   4.7024   7.5491   45.929   19.262   50.217   19.472 -4.288040 27.38958 
1 1 1  -14   11   47 o  262.081   5.9470  186.690   8.3946  189.222   12.419  184.559   11.391  263.648   8.7173  260.514   8.0915 3.133484 11.89390 
1 1 1  -14   11   48 o   46.719   12.857   1.9020   5.3858  -7.8314   8.4329   8.6070   6.9991   36.566   17.109   56.872   19.195 -20.30670 25.71328 
1 1 1  -14   11   49 o  193.284   6.3574  101.009   6.5789  109.145   10.151   95.117   8.6390  199.835   9.4003  186.733   8.5616 13.10126 12.71481 
1 1 1  -14   11   50 o  175.244   6.7936   83.248   6.3855   90.602   9.7756   77.775   8.4333  181.847   9.9483  168.641   9.2544 13.20586 13.58721 
1 1 1  -14   11   51 o  134.423   8.4434   49.730   6.0888   51.462   9.2440   48.402   8.0921  136.328   12.548  132.517   11.301 3.811340 16.88684 
1 1 1  -14   11   52 o   54.549   14.026   6.0927   5.5450   12.374   8.6086   1.6385   7.2490   65.392   21.264   43.705   18.295 21.68707 28.05111 
1 1 1  -14   11   53 o  275.242   5.9209  208.422   8.7649  193.795   12.714  221.667   12.099  265.779   8.8530  284.705   7.8646 -18.92633 11.84180 
1 1 1  -14   11   54 o   63.325   14.410   11.713   5.5496   12.450   8.5521   11.177   7.2938   64.977   21.197   61.673   19.525 3.303528 28.81940 
1 1 1  -14   11   55 o  264.247   6.0750  190.305   8.6221  206.465   13.096  177.942   11.455  273.928   8.8473  254.566   8.3275 19.36224 12.14998 
1 1 1  -14   11   56 o  128.083   8.9226   45.679   6.1341   50.595   9.3614   41.981   8.1202  133.924   12.936  122.243   12.293 11.68174 17.84525 
1 1 1  -14   11   57 o  133.333   8.6701   50.161   6.2239   49.744   9.1723   50.517   8.4731  132.566   12.804  134.099   11.693 -1.533478 17.34013 
1 1 1  -14   11   58 o   52.839   14.339   6.7720   5.7585   5.7618   8.4424   7.6509   7.8747   51.602   20.418   54.076   20.137 -2.473804 28.67736 
1 1 1  -14   11   59 o   96.128   14.506   29.346   7.2486   30.693   9.2358   27.185   11.697  101.837   16.783   90.419   23.665 11.41849 29.01203 
1 1 1  -14   11   60 o   58.509   15.354   9.7832   6.5341   7.4731   9.6191   11.762   8.9036   55.162   21.805   61.856   21.623 -6.694347 30.70815 
1 1 1  -14   11   61 o  116.036   13.477   39.222   7.4331   51.306   14.503   34.916   8.6565  123.581   22.549  108.490   14.766 15.09110 26.95325 
1 1 1  -14   11   62 o   40.535   18.626  -3.7970   9.3327  -3.7970   9.3327   0.0000   0.0000   40.535   18.626  ?   ?       ?      ? 
1 1 1  -14   11   63 o   64.418   14.727   12.622   6.6413   22.814   9.5665   3.1416   9.2271   81.677   21.413   47.159   20.224 34.51848 29.45393 
1 1 1  -14   11   64 o  159.634   12.707   83.493   10.806   72.455   15.619   93.626   14.966  146.682   19.706  172.586   16.048 -25.90358 25.41373 
1 1 1  -14   11   65 o   78.352   18.584   25.779   9.6298   33.919   13.891   18.248   13.361   90.009   26.665   66.694   25.893 23.31472 37.16834 
1 1 1  -14   12    1 o  110.258   7.1914   32.487   4.2439   39.564   6.3613   26.811   5.6971  120.954   9.7328   99.561   10.590 21.39288 14.38280 
1 1 1  -14   12    2 o  265.294   5.1965  190.297   7.4464  188.767   10.660  191.755   10.406  264.250   7.4655  266.337   7.2306 -2.087585 10.39299 
1 1 1  -14   12    3 o  436.087   12.809  514.640   30.183  514.640   30.183   0.0000   0.0000  436.087   12.809  ?   ?       ?      ? 
1 1 1  -14   12    4 o  1124.88   19.336  3443.49  117.527  3459.46  167.303  3427.93  165.134  1127.42   27.462  1122.34   27.229 5.080566 38.67237 
1 1 1  -14   12    5 o  225.559   7.7460  136.864   9.3790  143.941   14.240  131.441   12.465  230.670   11.424  220.449   10.464 10.22093 15.49194 
1 1 1  -14   12    6 o  677.565   12.197  1242.80   44.623  1270.05   64.657  1218.02   61.663  684.624   17.477  670.505   17.019 14.11926 24.39460 
1 1 1  -14   12    7 o  520.773   6.9669  733.265   19.603  720.256   27.510  746.684   27.942  516.081   9.8648  525.465   9.8406 -9.384033 13.93381 
1 1 1  -14   12    8 o  1010.11   12.270  2764.24   66.972  2759.57   94.702  2768.90   94.723  1009.25   17.365  1010.96   17.339 -1.708801 24.53963 
1 1 1  -14   12    9 o  452.109   6.3403  552.673   15.485  551.702   22.151  553.602   21.656  451.717   9.0750  452.502   8.8567 -0.7850342 12.68053 
1 1 1  -14   12   10 o  943.159   11.516  2408.85   58.690  2405.85   83.032  2411.85   82.970  942.570   16.302  943.749   16.270 -1.179077 23.03165 
1 1 1  -14   12   11 o  127.349   6.8004   43.243   4.6471   49.903   7.0752   38.189   6.1628  135.853   9.6379  118.844   9.5964 17.00852 13.60075 
1 1 1  -14   12   12 o  724.830   9.0969  1421.22   35.626  1429.41   50.838  1413.31   49.939  726.877   12.943  722.784   12.786 4.093201 18.19374 
1 1 1  -14   12   14 o  680.024   8.6063  1250.66   31.619  1260.33   45.233  1241.41   44.215  682.590   12.263  677.459   12.078 5.131104 17.21252 
1 1 1  -14   12   15 o  509.493   6.8953  701.912   18.981  700.301   27.074  703.470   26.617  508.914   9.8451  510.072   9.6570 -1.157867 13.79070 
1 1 1  -14   12   16 o  669.469   8.4987  1212.33   30.742  1217.12   43.819  1207.69   43.140  670.765   12.089  668.174   11.948 2.591919 16.99739 
1 1 1  -14   12   17 f  780.892   9.7034  1649.92   40.936  1665.24   58.604  1635.31   57.206  784.423   13.826  777.361   13.619 7.062561 19.40672 
1 1 1  -14   12   18 o  595.428   7.7363  958.428   24.885  938.786   34.704  979.215   35.702  589.154   10.901  601.701   10.980 -12.54755 15.47255 
1 1 1  -14   12   19 o  279.692   5.2882  210.857   7.9589  217.805   11.888  205.213   10.714  283.851   7.7506  275.533   7.1963 8.317322 10.57631 
1 1 1  -14   12   20 o  405.087   8.3573  443.634   18.294   0.0000   0.0000  443.634   18.294  ?   ?   405.087   8.3573      ?      ? 
1 1 1  -14   12   21 o  567.724   7.4766  870.510   22.907  894.414   33.415  849.316   31.464  575.057   10.753  560.391   10.391 14.66541 14.95328 
1 1 1  -14   12   22 o  376.860   5.9155  384.031   12.042  382.171   17.242  385.803   16.826  375.965   8.4871  377.755   8.2428 -1.789917 11.83108 
1 1 1  -14   12   23 o  310.481   5.6518  260.552   9.4796  252.142   13.292  269.257   13.523  305.382   8.0550  315.580   7.9302 -10.19736 11.30358 
1 1 1  -14   12   24 o  227.644   5.8527  139.930   7.1904  143.848   10.486  136.453   9.8789  230.645   8.4133  224.644   8.1382 6.001053 11.70532 
1 1 1  -14   12   25 o  641.750   8.2815  1113.53   28.701  1084.80   39.762  1144.79   41.472  633.124   11.622  650.377   11.800 -17.25372 16.56293 
1 1 1  -14   12   26 o  690.716   8.8529  1290.50   33.029  1261.09   45.897  1322.09   47.566  682.568   12.444  698.863   12.596 -16.29510 17.70588 
1 1 1  -14   12   27 o  342.366   6.0561  317.037   11.193  315.667   16.172  318.297   15.507  341.649   8.7599  343.084   8.3647 -1.434631 12.11214 
1 1 1  -14   12   28 o  405.429   6.3273  444.581   13.851  444.810   19.995  444.369   19.205  405.521   9.1246  405.338   8.7682 0.1835327 12.65464 
1 1 1  -14   12   29 o  264.433   6.3601  189.166   9.0850  187.768   12.988  190.505   12.713  263.472   9.1224  265.394   8.8647 -1.922028 12.72015 
1 1 1  -14   12   30 o  683.765   8.7997  1266.07   32.512  1258.07   46.075  1274.02   45.884  681.604   12.510  685.927   12.379 -4.322876 17.59940 
1 1 1  -14   12   31 o  700.082   8.9902  1327.73   34.008  1311.19   47.767  1344.74   48.428  695.661   12.707  704.503   12.721 -8.842346 17.98045 
1 1 1  -14   12   32 o  450.406   6.7180  548.993   16.344  549.360   23.462  548.648   22.780  450.542   9.6371  450.271   9.3624 0.2709045 13.43608 
1 1 1  -14   12   33 o  261.097   6.3551  183.367   8.9010  193.340   13.566  175.828   11.795  267.274   9.3931  254.919   8.5626 12.35429 12.71014 
1 1 1  -14   12   34 o  443.298   6.6437  532.174   15.912  525.477   22.619  538.734   22.388  440.526   9.5021  446.070   9.2878 -5.543762 13.28735 
1 1 1  -14   12   35 o  515.995   7.2145  721.404   20.114  717.530   28.602  725.194   28.292  514.613   10.285  517.377   10.120 -2.764038 14.42902 
1 1 1  -14   12   36 o  370.231   8.6590  371.774   17.311  352.703   24.228  391.667   24.744  360.510   12.437  379.952   12.052 -19.44266 17.31802 
1 1 1  -14   12   37 o  356.336   8.5839  344.694   16.516  345.045   23.836  344.369   22.905  356.477   12.374  356.194   11.900 0.2829895 17.16786 
1 1 1  -14   12   38 o  564.230   15.656  868.243   47.732  868.243   47.732   0.0000   0.0000  564.230   15.656  ?   ?       ?      ? 
1 1 1  -14   12   39 o  236.447   9.0199  152.038   11.505  153.401   16.794  150.833   15.794  237.401   13.091  235.493   12.412 1.907562 18.03979 
1 1 1  -14   12   40 o  287.736   8.7772  225.809   13.577  220.586   20.115  230.180   18.401  284.555   13.082  290.916   11.706 -6.361145 17.55436 
1 1 1  -14   12   41 o  331.905   6.0800  299.004   10.873  297.444   15.974  300.351   14.841  331.043   8.9300  332.767   8.2535 -1.723846 12.15998 
1 1 1  -14   12   42 o   45.978   13.630   1.1856   5.6511   0.7433   8.7230   1.5056   7.4183   47.112   19.913   44.843   18.617 2.268929 27.26014 
1 1 1  -14   12   43 o  139.279   8.3651   52.726   6.2850   56.311   9.2111   49.603   8.5973  143.690   11.863  134.868   11.797 8.822159 16.73012 
1 1 1  -14   12   44 o  272.109   5.9121  200.813   8.6665  205.357   12.827  196.995   11.756  274.887   8.6351  269.331   8.0776 5.556458 11.82428 
1 1 1  -14   12   45 o  187.172   6.7870   95.576   6.8177   94.342   10.220   96.566   9.1519  185.986   10.169  188.359   8.9916 -2.372375 13.57401 
1 1 1  -14   12   46 o  408.140   6.3426  453.761   13.980  434.468   19.733  473.203   19.808  399.364   9.1438  416.915   8.7924 -17.55121 12.68525 
1 1 1  -14   12   47 o  142.011   7.9366   55.186   5.9955   55.509   9.3467   54.960   7.8152  142.197   12.164  141.826   10.198 0.3709259 15.87319 
1 1 1  -14   12   48 o  227.160   9.2633  140.958   11.371  140.958   11.371   0.0000   0.0000  227.160   9.2633  ?   ?       ?      ? 
1 1 1  -14   12   49 o   57.978   14.321   8.3631   5.6374   12.041   8.2545   5.1481   7.7177   65.067   20.790   50.889   19.701 14.17838 28.64117 
1 1 1  -14   12   50 o   88.148   12.138   22.392   5.5840   21.835   8.6382   22.792   7.3187   85.998   19.087   90.298   14.999 -4.299759 24.27529 
1 1 1  -14   12   51 o  141.946   8.1652   56.197   6.1709   52.659   9.3892   58.887   8.1875  137.658   12.622  146.234   10.361 -8.575562 16.33038 
1 1 1  -14   12   52 o   50.298   13.972   4.5193   5.4977   7.3070   8.6537   2.6327   7.1190   55.705   21.035   44.890   18.396 10.81446 27.94403 
1 1 1  -14   12   53 o   84.999   12.907   22.168   5.7924   16.700   8.9504   26.108   7.5980   73.920   21.266   96.077   14.635 -22.15707 25.81493 
1 1 1  -14   12   54 o  128.461   8.9065   45.552   6.1342   54.099   9.2816   38.924   8.1737  139.096   12.349  117.825   12.838 21.27054 17.81294 
1 1 1  -14   12   55 o  211.666   6.4779  123.606   7.3660  124.145   11.034  123.172   9.8933  211.844   9.6388  211.489   8.6570 0.3549194 12.95573 
1 1 1  -14   12   56 o  114.112   10.906   37.114   6.2262   54.944   9.5225   23.801   8.2287  139.498   12.633   88.726   17.782 50.77188 21.81280 
1 1 1  -14   12   57 o  157.061   8.1687   68.749   6.8946   74.586   10.438   64.232   9.1827  162.759   11.869  151.363   11.227 11.39647 16.33741 
1 1 1  -14   12   58 o   53.587   15.485   5.5592   7.0089   4.9238   9.1124   6.4797   10.968   51.137   20.868   56.036   22.883 -4.898731 30.96914 
1 1 1  -14   12   59 o   51.500   15.088   2.5471   7.0041  -2.9976   9.0309   10.917   11.095   41.064   18.660   61.937   23.714 -20.87293 30.17540 
1 1 1  -14   12   60 o   91.562   15.338   29.600   7.3749   22.200   13.219   32.944   8.8862   78.087   26.380  105.036   15.656 -26.94874 30.67625 
1 1 1  -14   12   61 f   59.245   15.181   10.755   6.3873   7.6297   9.4789   13.354   8.6447   54.445   21.606   64.044   21.332 -9.598583 30.36224 
1 1 1  -14   12   62 o   65.295   15.710   14.104   6.7440   11.075   10.142   16.506   9.0296   60.328   22.774   70.261   21.646 -9.932209 31.42010 
1 1 1  -14   12   63 o   70.772   18.134   21.299   9.4517   13.856   14.270   27.117   12.616   60.929   25.596   80.615   25.696 -19.68626 36.26873 
1 1 1  -14   12   64 o  177.810   11.442   98.424   10.981   99.572   15.943   97.387   15.146  178.251   16.552  177.369   15.803 0.8820648 22.88464 
1 1 1  -14   12   65 o  121.008   11.545   47.160   7.5151   50.468   11.286   44.525   10.073  124.184   16.819  117.833   15.820 6.350594 23.08982 
1 1 1  -14   13    1 o  603.229   9.7605  982.733   29.626  990.090   52.648  979.323   35.838  604.707   16.112  601.752   11.021 2.955627 19.52094 
1 1 1  -14   13    2 o  332.643   8.3702  296.582   14.927  320.270   22.890  279.054   19.689  344.079   12.311  321.207   11.344 22.87210 16.74048 
1 1 1  -14   13    3 o  491.249   9.7446  652.959   25.860  656.081   37.068  650.000   36.094  492.384   13.932  490.114   13.629 2.270447 19.48928 
1 1 1  -14   13    4 o  805.167   14.235  1756.74   61.913  1779.28   88.976  1735.58   86.205  810.146   20.325  800.188   19.937 9.958435 28.47039 
1 1 1  -14   13    6 o  598.467   7.7762  968.602   25.145  970.343   35.821  966.910   35.306  598.994   11.067  597.940   10.927 1.053162 15.55240 
1 1 1  -14   13    7 o  444.033   8.8699  533.036   21.283   0.0000   0.0000  533.036   21.283  ?   ?   444.033   8.8699      ?      ? 
1 1 1  -14   13    8 o  167.494   8.9585   75.845   8.1082   75.845   8.1082   0.0000   0.0000  167.494   8.9585  ?   ?       ?      ? 
1 1 1  -14   13    9 o  248.198   5.3005  166.035   7.0906  172.843   10.486  160.298   9.6248  252.870   7.6738  243.526   7.3141 9.344528 10.60109 
1 1 1  -14   13   10 o  670.122   8.5424  1214.69   30.932  1212.73   43.888  1216.62   43.602  669.582   12.130  670.662   12.031 -1.079834 17.08471 
1 1 1  -14   13   11 f  326.459   5.4826  287.958   9.6649  291.332   13.967  284.859   13.388  328.290   7.8735  324.627   7.6318 3.662689 10.96528 
1 1 1  -14   13   12 o  195.275   5.6227  102.748   5.9193  107.778   8.7412   98.488   8.0443  199.673   8.1015  190.877   7.7991 8.795609 11.24548 
1 1 1  -14   13   13 o  546.976   7.2696  808.946   21.481  814.371   30.757  803.778   30.016  548.761   10.372  545.190   10.189 3.571838 14.53919 
1 1 1  -14   13   15 o  725.823   9.1274  1425.44   35.797  1426.45   50.836  1424.44   50.417  726.075   12.957  725.571   12.859 0.5037231 18.25482 
1 1 1  -14   13   16 o  362.957   5.7608  356.312   11.293  349.098   16.126  363.253   15.818  359.346   8.3049  366.567   7.9859 -7.220856 11.52153 
1 1 1  -14   13   17 o  923.800   11.326  2311.00   56.536  2304.40   79.959  2317.60   79.949  922.478   16.041  925.122   15.993 -2.643494 22.65116 
1 1 1  -14   13   18 o  273.120   5.5544  201.714   8.1872  200.395   11.858  202.916   11.318  272.263   8.0598  273.978   7.6449 -1.715057 11.10878 
1 1 1  -14   13   19 o  665.204   8.5072  1197.14   30.576  1198.78   43.560  1195.55   42.931  665.646   12.110  664.763   11.951 0.8834839 17.01440 
1 1 1  -14   13   20 o  288.698   8.0506  225.333   12.559   0.0000   0.0000  225.333   12.559  ?   ?   288.698   8.0506      ?      ? 
1 1 1  -14   13   21 o  913.860   11.236  2261.72   55.472  2227.40   77.407  2297.96   79.534  906.749   15.798  920.971   15.982 -14.22156 22.47209 
1 1 1  -14   13   22 o  664.609   8.5593  1195.36   30.738  1184.24   43.225  1206.74   43.719  661.482   12.093  667.737   12.116 -6.254211 17.11853 
1 1 1  -14   13   23 o  342.149   5.9852  316.595   11.051  316.028   16.035  317.109   15.252  341.849   8.6806  342.449   8.2423 -0.5995178 11.97032 
1 1 1  -14   13   24 o  208.160   6.5086  117.183   7.2807  117.252   10.884  117.127   9.7950  208.204   9.6741  208.115   8.7099 0.8863831E-01 13.01728 
1 1 1  -14   13   25 o  809.104   10.142  1769.84   44.286  1709.21   60.814  1838.28   64.619  794.405   14.167  823.802   14.516 -29.39734 20.28349 
1 1 1  -14   13   26 o  448.247   6.6729  543.506   16.162  534.082   22.803  553.018   22.909  444.340   9.4971  452.155   9.3763 -7.815338 13.34577 
1 1 1  -14   13   27 o  801.198   10.072  1738.60   43.599  1710.31   60.904  1768.34   62.440  794.523   14.186  807.873   14.303 -13.34979 20.14487 
1 1 1  -14   13   28 o  937.026   11.557  2377.03   58.445  2303.32   80.298  2460.08   85.229  921.650   16.123  952.401   16.561 -30.75073 23.11310 
1 1 1  -14   13   29 o  725.525   9.2643  1426.05   36.320  1410.80   51.196  1441.51   51.533  721.616   13.129  729.435   13.074 -7.819641 18.52863 
1 1 1  -14   13   30 o  262.501   6.4034  186.543   9.0775  183.160   12.991  189.771   12.689  260.166   9.2408  264.836   8.8668 -4.670013 12.80678 
1 1 1  -14   13   31 o   56.926   15.196   6.2527   6.3437   7.6280   9.6546   5.2079   8.4153   60.178   22.319   53.674   20.628 6.503838 30.39185 
1 1 1  -14   13   32 o  601.998   8.0275  981.857   26.113  976.133   36.969  987.557   36.890  600.241   11.398  603.756   11.307 -3.515320 16.05502 
1 1 1  -14   13   33 o  455.878   6.7778  561.150   16.671  524.331   22.899  602.675   24.318  440.009   9.6307  471.748   9.5396 -31.73871 13.55563 
1 1 1  -14   13   34 o  231.809   8.7863  145.487   11.006   0.0000   0.0000  145.487   11.006  ?   ?   231.809   8.7863      ?      ? 
1 1 1  -14   13   35 o  161.623   10.969   72.851   9.3177   61.261   14.207   81.599   12.343  149.902   17.539  173.344   13.177 -23.44113 21.93774 
1 1 1  -14   13   36 o  388.399   9.0141  409.592   18.904  387.387   26.420  432.883   27.059  377.586   12.949  399.212   12.544 -21.62616 18.02829 
1 1 1  -14   13   37 o  282.853   13.026  217.613   19.910  217.613   19.910   0.0000   0.0000  282.853   13.026  ?   ?       ?      ? 
1 1 1  -14   13   38 o  498.685   10.162  677.734   27.369  686.261   39.449  669.820   38.004  501.651   14.553  495.719   14.187 5.932190 20.32390 
1 1 1  -14   13   39 o  193.650   10.329  102.702   10.769   93.604   15.335  111.554   15.126  185.059   15.335  202.241   13.841 -17.18207 20.65726 
1 1 1  -14   13   40 o   97.502   12.067   27.256   6.0266   23.108   9.3080   30.251   7.9079   89.785   19.724  105.219   13.909 -15.43427 24.13490 
1 1 1  -14   13   41 o  206.098   6.7255  116.082   7.4421  107.969   10.913  123.134   10.175  199.249   10.136  212.948   8.8423 -13.69969 13.45092 
1 1 1  -14   13   42 o  123.322   9.6229   40.947   6.3118   52.608   9.5417   31.875   8.4162  138.784   12.723  107.860   14.440 30.92381 19.24575 
1 1 1  -14   13   43 o  216.364   6.5210  128.712   7.5279  116.381   11.233  138.765   10.142  206.718   10.056  226.010   8.3044 -19.29163 13.04208 
1 1 1  -14   13   44 o   99.971   12.065   29.547   6.0827   21.489   9.2590   35.665   8.0679   85.941   20.267  114.002   13.097 -28.06113 24.13041 
1 1 1  -14   13   45 o  300.897   8.0503  246.181   13.089   0.0000   0.0000  246.181   13.089  ?   ?   300.897   8.0503      ?      ? 
1 1 1  -14   13   46 o   87.692   12.525   20.825   5.7763   29.535   9.2311   15.220   7.4052  103.033   16.580   72.352   18.778 30.68148 25.05005 
1 1 1  -14   13   47 o   79.561   12.719   16.816   5.5555   27.692   8.8951   9.8598   7.1135   99.517   16.541   59.605   19.326 39.91278 25.43839 
1 1 1  -14   13   48 o  225.551   6.3114  139.556   7.5974  135.054   11.589  142.949   10.061  222.137   9.6545  228.965   8.1319 -6.827682 12.62289 
1 1 1  -14   13   49 o  127.177   8.8836   43.948   6.0301   49.858   9.4729   39.922   7.8188  134.114   13.071  120.241   12.034 13.87283 17.76710 
1 1 1  -14   13   50 o  127.189   9.1218   45.697   6.0963   41.510   9.5474   48.579   7.9214  121.710   14.517  132.669   11.050 -10.95972 18.24368 
1 1 1  -14   13   51 o  345.709   6.0603  327.459   11.287  326.723   16.610  328.090   15.384  345.159   8.9054  346.259   8.2222 -1.100372 12.12070 
1 1 1  -14   13   52 o   55.171   13.897   6.1654   5.6278   14.060   8.5820   0.2089   7.4543   68.412   21.107   41.929   18.082 26.48279 27.79337 
1 1 1  -14   13   53 o  198.428   6.7408  106.316   7.1399  123.526   11.217   94.591   9.2578  211.530   9.8130  185.327   9.2444 26.20299 13.48162 
1 1 1  -14   13   54 o   76.113   13.975   17.207   5.7662   22.097   9.0502   13.865   7.4813   84.744   20.072   67.482   19.451 17.26199 27.95046 
1 1 1  -14   13   55 o   69.914   14.111   15.598   5.9280   8.8051   9.2403   20.349   7.7279   57.963   21.768   81.864   17.963 -23.90170 28.22248 
1 1 1  -14   13   56 o  219.902   6.5957  133.035   7.7441  140.532   12.038  127.742   10.115  224.787   9.9109  215.016   8.7055 9.770309 13.19133 
1 1 1  -14   13   57 o   57.565   15.928   8.0077   7.3821   11.340   9.3232   2.4077   12.086   62.051   22.087   53.078   22.957 8.972645 31.85656 
1 1 1  -14   13   58 o  106.790   14.801   38.791   7.9089   45.954   9.9752   26.667   12.978  125.743   14.681   87.838   25.705 37.90521 29.60191 
1 1 1  -14   13   59 o   82.270   16.538   22.109   7.2535   26.104   13.237   20.395   8.6712   85.307   26.197   79.232   20.194 6.074692 33.07640 
1 1 1  -14   13   60 o   44.057   13.178  -1.8700   6.4397 -16.4665   9.9094   8.8007   8.4727   32.903   16.158   55.211   20.822 -22.30780 26.35572 
1 1 1  -14   13   61 o  156.703   9.1155   71.752   7.5948   60.502   11.052   81.820   10.455  143.829   14.220  169.577   11.409 -25.74831 18.23094 
1 1 1  -14   13   62 o  131.729   14.022   58.212   9.9530   58.356   14.580   58.086   13.621  130.837   20.622  132.621   19.006 -1.783600 28.04459 
1 1 1  -14   13   63 o  125.008   15.732   54.091   10.380   60.158   15.527   49.189   13.958  132.243   21.728  117.772   22.757 14.47047 31.46405 
1 1 1  -14   13   64 o  153.119   11.359   72.427   9.2011   62.263   11.647   89.302   15.007  140.379   15.354  165.859   16.745 -25.48015 22.71858 
1 1 1  -14   14    1 o  1021.24   17.711  2831.39   97.723  2795.04  136.710  2869.37  139.741  1014.56   24.937  1027.91   25.158 -13.35486 35.42265 
1 1 1  -14   14    2 o  430.668   12.957  501.802   30.152   0.0000   0.0000  501.802   30.152  ?   ?   430.668   12.957      ?      ? 
1 1 1  -14   14    3 o  139.341   10.029   52.501   7.5516   0.0000   0.0000   52.501   7.5516  ?   ?   139.341   10.029      ?      ? 
1 1 1  -14   14    4 o  752.165   9.4447  1530.79   38.387  1524.35   54.250  1537.24   54.326  750.580   13.376  753.749   13.338 -3.168823 18.88942 
1 1 1  -14   14    5 o  1232.26   14.885  4117.52   99.115  4100.10  139.941  4135.06  140.400  1229.64   21.061  1234.88   21.040 -5.235474 29.77018 
1 1 1  -14   14    6 o  283.897   5.5510  217.769   8.5111  220.828   12.274  214.936   11.813  285.815   7.9470  281.979   7.7525 3.835327 11.10210 
1 1 1  -14   14    7 o  425.810   6.2270  490.098   14.322  493.636   20.580  486.775   19.944  427.296   8.9133  424.323   8.6982 2.973236 12.45409 
1 1 1  -14   14    8 o  368.792   8.1827  367.679   16.307   0.0000   0.0000  367.679   16.307  ?   ?   368.792   8.1827      ?      ? 
1 1 1  -14   14    9 o   79.273   11.309   17.336   4.7542   22.403   6.9252   12.819   6.5383   90.981   14.086   67.565   17.697 23.41576 22.61899 
1 1 1  -14   14   10 o  576.279   7.6073  897.892   23.685  882.293   33.129  914.203   33.876  571.162   10.734  581.396   10.783 -10.23425 15.21464 
1 1 1  -14   14   11 o  619.381   8.0408  1037.02   26.902  1013.90   37.421  1061.74   38.700  612.247   11.311  626.515   11.431 -14.26788 16.08154 
1 1 1  -14   14   12 o  997.867   12.185  2697.16   65.703  2679.46   92.396  2715.27   93.448  994.561   17.192  1001.17   17.273 -6.611572 24.37091 
1 1 1  -14   14   13 o  803.276   10.010  1746.26   43.446  1729.20   61.049  1763.77   61.842  799.304   14.134  807.247   14.177 -7.943848 20.01931 
1 1 1  -14   14   14 o  304.267   7.9421  250.271   13.058   0.0000   0.0000  250.271   13.058  ?   ?   304.267   7.9421      ?      ? 
1 1 1  -14   14   15 o  764.588   9.5920  1582.00   39.627  1588.90   56.443  1575.29   55.648  766.226   13.632  762.950   13.498 3.276367 19.18397 
1 1 1  -14   14   17 o  363.026   5.9309  356.169   11.627  338.422   16.276  374.664   16.615  353.791   8.5136  372.260   8.2597 -18.46960 11.86189 
1 1 1  -14   14   18 o  173.197   9.6168   81.126   9.0004   0.0000   0.0000   81.126   9.0004  ?   ?   173.197   9.6168      ?      ? 
1 1 1  -14   14   19 o  411.938   6.3020  458.973   14.022  455.875   20.087  461.918   19.584  410.576   9.0536  413.300   8.7689 -2.724243 12.60405 
1 1 1  -14   14   20 o  265.301   5.9692  190.376   8.5544  184.540   12.100  196.208   12.096  261.231   8.5717  269.370   8.3098 -8.139099 11.93842 
1 1 1  -14   14   21 f  809.632   10.130  1774.82   44.308  1745.67   61.847  1805.55   63.507  802.815   14.257  816.449   14.395 -13.63409 20.25988 
1 1 1  -14   14   22 o  487.054   9.7508  641.655   25.663   0.0000   0.0000  641.655   25.663  ?   ?   487.054   9.7508      ?      ? 
1 1 1  -14   14   23 o  712.522   9.1521  1372.71   35.209  1331.68   48.620  1417.97   51.056  701.352   12.829  723.692   13.056 -22.34009 18.30410 
1 1 1  -14   14   24 o   66.666   15.584   11.428   6.5163   12.471   9.6030   10.538   8.8713   68.972   22.460   64.359   21.611 4.612999 31.16873 
1 1 1  -14   14   25 o  610.859   8.1307  1008.77   26.820  976.377   37.098  1044.24   38.819  600.605   11.431  621.113   11.566 -20.50751 16.26145 
1 1 1  -14   14   26 o  706.896   9.1161  1351.82   34.800  1315.75   48.173  1391.18   50.326  697.058   12.789  716.733   12.994 -19.67456 18.23218 
1 1 1  -14   14   27 o  243.633   6.7758  160.905   8.8917  145.747   12.553  176.166   12.596  232.081   10.010  255.185   9.1348 -23.10420 13.55153 
1 1 1  -14   14   28 f  233.607   6.7527  148.115   8.4717  143.483   12.592  151.945   11.451  230.238   10.121  236.977   8.9421 -6.739258 13.50544 
1 1 1  -14   14   29 o  661.995   8.6422  1186.49   30.905  1156.14   43.054  1218.75   44.388  653.271   12.197  670.718   12.247 -17.44708 17.28432 
1 1 1  -14   14   30 f  192.180   7.6239   99.614   7.8855  104.297   11.790   95.823   10.607  196.237   11.118  188.123   10.435 8.113937 15.24778 
1 1 1  -14   14   31 o   78.465   14.724   17.033   6.4021   21.855   9.5499   13.097   8.6279   87.765   20.506   69.165   21.135 18.59949 29.44791 
1 1 1  -14   14   32 o  659.559   8.6078  1179.93   30.677  1167.91   43.315  1192.03   43.454  656.179   12.216  662.940   12.130 -6.761047 17.21550 
1 1 1  -14   14   33 o  238.464   8.3345  157.883   9.9725  144.122   17.344  164.680   12.189  230.335   13.935  246.594   9.1473 -16.26001 16.66904 
1 1 1  -14   14   34 o  351.068   8.7613  332.807   16.452  346.622   25.345  322.748   21.628  357.229   13.130  344.907   11.604 12.32199 17.52270 
1 1 1  -14   14   35 o  181.595   17.763   90.113   17.430   90.113   17.430   0.0000   0.0000  181.595   17.763  ?   ?       ?      ? 
1 1 1  -14   14   36 o  247.040   9.2488  164.260   12.280  146.261   16.421  187.095   18.495  231.849   13.107  262.230   13.052 -30.38185 18.49765 
1 1 1  -14   14   37 o  583.807   11.243  929.603   35.431  892.117   48.737  971.622   51.599  571.398   15.784  596.217   16.016 -24.81927 22.48686 
1 1 1  -14   14   38 o  184.582   9.0538   92.074   8.3051   94.752   15.161   90.926   9.9269  186.188   15.069  182.977   10.040 3.211029 18.10764 
1 1 1  -14   14   39 f  182.495   7.4003   90.346   7.2620   92.892   10.883   88.303   9.7503  184.755   10.901  180.235   10.011 4.519760 14.80054 
1 1 1  -14   14   40 o  217.107   6.6556  127.080   7.7435  135.527   11.878  120.837   10.212  223.275   9.8449  210.940   8.9590 12.33580 13.31113 
1 1 1  -14   14   41 o  296.740   6.0446  239.165   9.6606  238.419   14.239  239.801   13.150  296.250   8.8945  297.230   8.1876 -0.9801636 12.08923 
1 1 1  -14   14   42 o  168.787   7.5775   77.619   6.8241   78.136   10.532   77.244   8.9592  169.149   11.522  168.424   9.8441 0.7253113 15.15493 
1 1 1  -14   14   43 o  120.478   9.8716   40.282   6.3647   36.145   9.3343   43.877   8.7010  114.464   15.091  126.492   12.730 -12.02811 19.74314 
1 1 1  -14   14   44 o  155.196   8.0095   66.555   6.5926   62.124   10.157   69.781   8.6660  150.478   12.491  159.914   10.029 -9.436432 16.01900 
1 1 1  -14   14   45 o  178.603   7.5549   88.925   7.1462   75.185   10.647  100.190   9.6402  165.542   11.902  191.664   9.3081 -26.12212 15.10981 
1 1 1  -14   14   46 o   85.390   13.454   21.145   5.9257   22.222   9.5611   20.473   7.5507   86.714   20.693   84.066   17.202 2.648521 26.90881 
1 1 1  -14   14   47 o   51.616   14.042   5.4482   5.5538   2.8130   8.7783   7.2070   7.1715   49.380   20.354   53.851   19.350 -4.471142 28.08347 
1 1 1  -14   14   48 o  384.851   6.3123  405.568   13.107  390.542   18.819  419.726   18.267  377.765   9.2189  391.937   8.6250 -14.17154 12.62452 
1 1 1  -14   14   49 o  166.636   7.5071   75.350   6.6822   84.064   10.449   69.320   8.6921  174.520   11.080  158.752   10.132 15.76767 15.01414 
1 1 1  -14   14   50 o  107.867   10.384   32.237   6.0045   36.778   9.2251   28.899   7.9092  114.287   14.938  101.446   14.428 12.84069 20.76795 
1 1 1  -14   14   51 o  179.106   7.2868   89.554   6.9555   81.816   10.452   95.706   9.3186  171.701   11.265  186.511   9.2460 -14.81013 14.57354 
1 1 1  -14   14   52 o  169.750   7.5526   80.332   6.8538   76.061   10.306   83.719   9.1770  165.325   11.537  174.174   9.7505 -8.849014 15.10515 
1 1 1  -14   14   53 o   63.346   14.444   11.860   6.0139   5.5637   9.1322   16.681   7.9915   52.935   21.143   73.757   19.684 -20.82156 28.88800 
1 1 1  -14   14   54 o   73.439   14.851   16.923   6.1857   15.749   9.3951   17.822   8.2183   71.036   22.112   75.841   19.830 -4.804863 29.70141 
1 1 1  -14   14   55 o  334.410   6.3358  309.458   11.413  308.280   16.794  310.470   15.559  333.499   9.3188  335.320   8.5866 -1.821716 12.67161 
1 1 1  -14   14   56 o  170.693   7.8254   80.122   7.1427   92.662   11.124   71.323   9.3172  181.700   11.329  159.685   10.798 22.01508 15.65075 
1 1 1  -14   14   57 o   71.229   16.111   16.625   7.7070   23.617   10.098   6.8716   11.927   85.130   21.844   57.328   23.687 27.80216 32.22144 
1 1 1  -14   14   58 o   39.467   13.244  -7.7255   7.1265 -16.4572   13.660  -4.4602   8.3534   41.104   19.913   37.829   17.468 3.275620 26.48875 
1 1 1  -14   14   59 o  102.057   15.633   34.682   7.7734   34.887   14.630   34.601   9.1757   96.794   26.968  107.320   15.822 -10.52562 31.26691 
1 1 1  -14   14   60 o  109.505   12.933   38.143   7.2060   28.749   10.581   46.269   9.8409   93.417   21.418  125.592   14.500 -32.17554 25.86516 
1 1 1  -14   14   61 o  134.896   14.189   59.064   10.265   65.923   15.738   53.986   13.542  140.896   20.671  128.897   19.442 11.99861 28.37764 
1 1 1  -14   14   62 o  159.785   12.457   81.819   10.606   82.928   16.348   81.013   13.936  158.512   19.086  161.057   16.013 -2.544571 24.91370 
1 1 1  -14   14   63 o   47.032   13.947  -0.8839   7.2239 -16.9547   10.395   14.124   10.046   32.590   16.108   61.474   22.773 -28.88410 27.89406 
1 1 1  -14   15    1 o  670.725   8.6231  1216.97   31.252  1205.16   43.968  1229.03   44.429  667.437   12.191  674.013   12.199 -6.576050 17.24617 
1 1 1  -14   15    2 o  989.840   17.147  2654.04   91.716   0.0000   0.0000  2654.04   91.716  ?   ?   989.840   17.147      ?      ? 
1 1 1  -14   15    4 o  574.267   7.6379  891.495   23.689  904.518   34.159  879.430   32.880  578.298   10.931  570.236   10.670 8.062195 15.27585 
1 1 1  -14   15    5 o  1073.55   13.051  3122.05   75.689  3075.32  105.542  3171.52  108.604  1065.31   18.334  1081.80   18.578 -16.49036 26.10170 
1 1 1  -14   15    6 o  196.285   6.1966  104.225   6.5685  101.844   9.3824  106.513   9.1989  194.083   8.9462  198.486   8.5767 -4.403885 12.39328 
1 1 1  -14   15    8 o  417.734   6.3537  471.855   14.340  468.142   20.383  475.493   20.180  416.104   9.0650  419.364   8.9052 -3.259552 12.70732 
1 1 1  -14   15    9 o  834.473   10.413  1884.27   46.943  1852.99   65.477  1917.35   67.338  827.359   14.646  841.587   14.807 -14.22791 20.82656 
1 1 1  -14   15   11 o  278.017   8.1360  208.959   12.223   0.0000   0.0000  208.959   12.223  ?   ?   278.017   8.1360      ?      ? 
1 1 1  -14   15   12 o  367.667   6.1017  364.737   12.089  375.028   17.875  356.064   16.410  372.429   8.8823  362.905   8.3682 9.523651 12.20338 
1 1 1  -14   15   13 f  626.625   8.1838  1062.29   27.710  1060.22   39.314  1064.32   39.064  626.018   11.622  627.232   11.525 -1.214600 16.36758 
1 1 1  -14   15   14 o  425.082   6.4621  488.827   14.837  478.353   21.140  498.995   20.829  420.586   9.3016  429.578   8.9730 -8.992035 12.92421 
1 1 1  -14   15   15 o  266.661   6.0048  192.458   8.6426  187.424   12.424  197.180   12.031  263.273   8.7329  270.050   8.2443 -6.777222 12.00967 
1 1 1  -14   15   16 o  641.178   8.3675  1111.59   28.978  1080.97   40.256  1144.53   41.746  632.024   11.787  650.332   11.879 -18.30804 16.73495 
1 1 1  -14   15   17 o  1046.91   12.773  2972.59   72.253  2949.43  101.560  2996.32  102.815  1042.79   18.024  1051.02   18.103 -8.237671 25.54551 
1 1 1  -14   15   18 o  169.191   7.6836   78.809   6.9026   65.923   10.147   89.906   9.4169  156.066   12.033  182.316   9.5587 -26.25044 15.36726 
1 1 1  -14   15   19 o  492.111   7.0362  655.023   18.709  643.475   26.332  666.797   26.588  487.729   9.9911  496.493   9.9101 -8.764465 14.07240 
1 1 1  -14   15   20 o  310.069   8.9880  260.012   15.059   0.0000   0.0000  260.012   15.059  ?   ?   310.069   8.9880      ?      ? 
1 1 1  -14   15   21 o  915.836   11.362  2271.51   56.194  2216.67   77.846  2331.18   81.200  904.330   15.930  927.342   16.204 -23.01190 22.72324 
1 1 1  -14   15   22 o  409.841   6.5301  453.828   14.452  431.988   20.085  477.276   20.811  399.625   9.3008  420.058   9.1685 -20.43250 13.06011 
1 1 1  -14   15   23 o  176.023   11.869   83.875   11.289   83.875   11.289   0.0000   0.0000  176.023   11.869  ?   ?       ?      ? 
1 1 1  -14   15   24 o  755.812   9.6404  1547.33   39.372  1531.29   55.491  1563.59   55.872  751.864   13.658  759.759   13.609 -7.895264 19.28089 
1 1 1  -14   15   25 o  293.132   6.4598  232.350   10.218  234.447   14.881  230.479   14.055  294.374   9.3548  291.891   8.9110 2.483673 12.91967 
1 1 1  -14   15   26 o  651.938   8.5711  1150.38   30.182  1118.25   41.940  1184.89   43.467  642.510   12.080  661.366   12.163 -18.85553 17.14221 
1 1 1  -14   15   27 o  388.299   6.5655  408.574   13.753  395.692   19.832  420.510   19.089  382.374   9.5982  394.225   8.9610 -11.85104 13.13103 
1 1 1  -14   15   28 o   72.327   15.517   14.255   6.7476   10.043   9.7636   18.107   9.3358   64.548   22.639   80.106   21.227 -15.55742 31.03375 
1 1 1  -14   15   29 o  379.947   6.5204  390.772   13.370  391.255   19.412  390.336   18.441  380.152   9.4498  379.742   8.9869 0.4097595 13.04085 
1 1 1  -14   15   30 o  135.980   9.6212   50.494   7.0271   45.452   10.126   55.178   9.7600  129.350   14.487  142.610   12.665 -13.26070 19.24235 
1 1 1  -14   15   31 f  244.654   6.7364  162.927   8.8571  145.676   12.665  179.439   12.391  231.878   10.108  257.430   8.9076 -25.55243 13.47277 
1 1 1  -14   15   32 f  532.097   10.496  766.601   30.028  802.027   45.155  738.513   40.206  542.941   15.391  521.253   14.274 21.68835 20.99125 
1 1 1  -14   15   33 f  393.781   13.789  421.622   29.342  421.622   29.342   0.0000   0.0000  393.781   13.789  ?   ?       ?      ? 
1 1 1  -14   15   34 o  665.697   17.743  1211.94   63.825  1211.94   63.825   0.0000   0.0000  665.697   17.743  ?   ?       ?      ? 
1 1 1  -14   15   35 o  421.743   9.5020  483.147   21.626  507.432   31.584  461.712   29.673  431.671   13.540  411.814   13.334 19.85751 19.00392 
1 1 1  -14   15   36 o  459.455   9.7814  573.111   24.205  604.505   36.033  547.297   32.675  470.772   14.165  448.138   13.493 22.63333 19.56274 
1 1 1  -14   15   37 o  175.188   10.113   83.386   9.5734   0.0000   0.0000   83.386   9.5734  ?   ?   175.188   10.113      ?      ? 
1 1 1  -14   15   38 o  194.403   7.4395  102.465   7.7856  106.781   11.615   98.943   10.492  198.065   10.852  190.742   10.179 7.323578 14.87891 
1 1 1  -14   15   39 o  121.497   15.340   40.488   10.071   40.488   10.071   0.0000   0.0000  121.497   15.340  ?   ?       ?      ? 
1 1 1  -14   15   40 o  187.084   7.1642   94.886   7.1535   97.656   11.085   92.908   9.3642  189.316   10.836  184.852   9.3748 4.463516 14.32849 
1 1 1  -14   15   41 o   78.448   14.363   18.400   6.2407   12.979   9.7164   22.206   8.1420   68.879   22.600   88.018   17.732 -19.13856 28.72607 
1 1 1  -14   15   42 o   63.799   14.778   11.190   5.8568   9.4916   9.3003   12.306   7.5397   61.786   22.053   65.812   19.679 -4.025719 29.55629 
1 1 1  -14   15   43 o   94.061   12.540   24.947   6.0875   28.951   9.4154   22.070   7.9798  100.510   17.997   87.611   17.468 12.89895 25.08021 
1 1 1  -14   15   44 o  118.710   9.6477   39.548   6.0487   34.909   9.2492   43.014   7.9953  112.219   15.253  125.202   11.818 -12.98320 19.29531 
1 1 1  -14   15   45 o   95.905   12.194   27.413   5.9517   20.192   9.0422   32.933   7.9058   82.676   20.372  109.133   13.406 -26.45776 24.38716 
1 1 1  -14   15   46 o  137.010   9.2262   53.615   6.5922   42.898   10.035   61.750   8.7432  124.065   14.969  149.955   10.790 -25.88973 18.45235 
1 1 1  -14   15   47 o  200.063   6.8027  110.538   7.2193  104.784   11.170  114.665   9.4611  195.261   10.586  204.864   8.5464 -9.603394 13.60547 
1 1 1  -14   15   48 o   76.442   13.817   18.132   5.7835   13.192   9.2583   21.293   7.4063   67.472   22.057   85.411   16.645 -17.93932 27.63319 
1 1 1  -14   15   49 o  150.442   7.9943   62.403   6.4368   64.275   9.8635   61.014   8.4950  152.176   11.995  148.707   10.572 3.469360 15.98868 
1 1 1  -14   15   50 o  114.166   9.9094   35.963   6.0340   41.351   9.5130   32.336   7.8049  120.996   14.550  107.336   13.457 13.66015 19.81871 
1 1 1  -14   15   51 o   80.758   13.581   19.536   5.8483   23.275   8.6915   16.443   7.9057   87.939   18.856   73.577   19.551 14.36258 27.16252 
1 1 1  -14   15   52 o   86.315   12.900   24.033   6.1499   10.172   9.1451   35.477   8.3094   60.636   21.844  111.993   13.731 -51.35718 25.80088 
1 1 1  -14   15   53 o  219.594   6.7868  135.404   7.9283  118.932   11.802  148.949   10.703  206.683   10.568  232.506   8.5186 -25.82318 13.57351 
1 1 1  -14   15   54 o  205.625   8.9798  116.979   9.9777   0.0000   0.0000  116.979   9.9777  ?   ?   205.625   8.9798      ?      ? 
1 1 1  -14   15   55 o   72.958   14.839   16.248   6.1536   21.021   9.5606   12.872   8.0404   81.258   21.456   64.659   20.503 16.59890 29.67771 
1 1 1  -14   15   56 o   81.620   16.525   21.676   7.5682   19.027   9.8137   25.563   11.888   76.210   22.367   87.030   24.332 -10.81918 33.05037 
1 1 1  -14   15   57 o   74.213   16.008   12.526   7.3607   34.865   13.545   3.1641   8.7686  100.869   24.980   47.558   20.026 53.31164 32.01658 
1 1 1  -14   15   58 o  182.697   10.237   98.752   8.8941   98.086   17.047   99.001   10.426  178.398   17.683  186.996   10.318 -8.597336 20.47314 
1 1 1  -14   15   59 o  100.784   13.369   35.308   7.3217   10.974   10.601   57.499   10.124   60.707   23.195  140.862   13.300 -80.15556 26.73813 
1 1 1  -14   15   60 o   71.880   18.592   18.355   9.5656   25.653   14.331   12.491   12.846   81.069   27.467   62.691   25.064 18.37818 37.18333 
1 1 1  -14   15   61 o  100.262   18.039   39.911   9.7977   38.401   14.596   41.149   13.218   96.082   26.995  104.442   23.934 -8.359398 36.07759 
1 1 1  -14   15   62 o   47.459   14.549   2.8703   6.9068   8.8062   10.685  -1.3894   9.0519   54.335   22.432   40.583   18.534 13.75144 29.09836 
1 1 1  -14   16    2 o  119.255   9.3157   38.712   5.9355   31.809   8.3396   45.799   8.4495  108.401   14.237  130.109   12.018 -21.70741 18.63144 
1 1 1  -14   16    3 o  781.787   9.8509  1653.67   41.605  1625.67   58.054  1683.24   59.655  774.992   13.863  788.582   13.999 -13.59003 19.70170 
1 1 1  -14   16    5 o  128.336   12.211   44.563   8.4681   0.0000   0.0000   44.563   8.4681  ?   ?   128.336   12.211      ?      ? 
1 1 1  -14   16    6 o  353.871   6.1777  338.669   11.810  330.801   16.744  346.456   16.659  349.776   8.8589  357.965   8.6124 -8.188324 12.35533 
1 1 1  -14   16    7 o  497.022   7.0617  668.053   18.965  671.145   26.994  665.039   26.650  498.156   10.028  495.889   9.9453 2.267273 14.12331 
1 1 1  -14   16    8 o  405.193   6.4384  443.787   14.094  433.053   19.717  455.002   20.154  400.185   9.1179  410.202   9.0925 -10.01691 12.87678 
1 1 1  -14   16    9 o  410.935   6.4619  456.595   14.347  445.176   20.182  468.259   20.398  405.740   9.2052  416.131   9.0713 -10.39136 12.92379 
1 1 1  -14   16   10 o  332.938   6.1811  299.801   11.116  290.450   15.715  309.168   15.727  327.736   8.8734  338.140   8.6073 -10.40359 12.36219 
1 1 1  -14   16   11 o  377.353   6.2160  383.904   12.649  402.590   18.628  367.916   17.231  385.843   8.9345  368.863   8.6446 16.97961 12.43202 
1 1 1  -14   16   12 o  192.747   9.6656  100.486   10.067   0.0000   0.0000  100.486   10.067  ?   ?   192.747   9.6656      ?      ? 
1 1 1  -14   16   14 o  747.020   9.5036  1506.57   38.284  1445.00   52.144  1578.57   56.387  730.540   13.209  763.500   13.667 -32.95966 19.00728 
1 1 1  -14   16   15 o  549.646   7.5930  816.898   22.538  830.603   32.554  804.282   31.234  554.061   10.873  545.231   10.601 8.830322 15.18605 
1 1 1  -14   16   17 o  415.592   9.5401  467.160   21.424  467.160   21.424   0.0000   0.0000  415.592   9.5401  ?   ?       ?      ? 
1 1 1  -14   16   18 o  531.158   7.4800  762.997   21.464  746.268   29.973  780.607   30.752  525.186   10.562  537.130   10.595 -11.94476 14.96008 
1 1 1  -14   16   19 o  636.462   8.4423  1096.28   29.031  1077.28   40.672  1116.02   41.452  630.841   11.931  642.082   11.947 -11.24054 16.88469 
1 1 1  -14   16   20 o  247.633   9.2728  165.878   12.408   0.0000   0.0000  165.878   12.408  ?   ?   247.633   9.2728      ?      ? 
1 1 1  -14   16   21 o  483.375   7.1264  632.197   18.613  627.007   26.381  637.341   26.265  481.395   10.142  485.354   10.015 -3.959412 14.25286 
1 1 1  -14   16   22 o  574.175   7.8613  892.019   24.387  874.634   34.123  910.170   34.866  568.459   11.109  579.891   11.127 -11.43176 15.72268 
1 1 1  -14   16   23 o  534.844   7.5126  773.270   21.697  743.709   30.034  805.541   31.380  524.169   10.604  545.520   10.645 -21.35083 15.02517 
1 1 1  -14   16   24 o  724.873   9.3229  1422.37   36.489  1381.33   50.412  1467.52   52.884  713.926   13.068  735.820   13.300 -21.89398 18.64570 
1 1 1  -14   16   25 o  340.716   8.9024  314.097   16.390   0.0000   0.0000  314.097   16.390  ?   ?   340.716   8.9024      ?      ? 
1 1 1  -14   16   26 o  131.872   10.075   47.290   7.1608   44.096   10.239   50.348   10.018  127.479   14.864  136.265   13.606 -8.785530 20.15063 
1 1 1  -14   16   27 o  337.394   6.3876  308.632   11.626  291.992   16.582  324.722   16.306  328.413   9.3439  346.376   8.7118 -17.96286 12.77516 
1 1 1  -14   16   28 o  337.567   6.3796  308.712   11.628  295.685   16.476  321.642   16.414  330.451   9.2267  344.683   8.8129 -14.23242 12.75928 
1 1 1  -14   16   29 o  413.440   6.6701  462.925   14.893  441.929   20.931  484.452   21.195  403.930   9.5897  422.951   9.2736 -19.02109 13.34022 
1 1 1  -14   16   30 o  576.338   9.6683  914.941   28.707  859.009   47.740  946.618   35.928  561.846   15.725  590.829   11.253 -28.98303 19.33650 
1 1 1  -14   16   31 o  395.503   13.788  425.225   29.467  425.225   29.467   0.0000   0.0000  395.503   13.788  ?   ?       ?      ? 
1 1 1  -14   16   33 o  299.803   9.3640  244.908   15.098  275.901   21.582  215.203   21.129  318.513   12.539  281.092   13.910 37.42114 18.72799 
1 1 1  -14   16   34 o  303.840   8.9204  250.849   14.632  236.486   20.280  266.441   21.131  294.763   12.733  312.917   12.497 -18.15396 17.84090 
1 1 1  -14   16   35 o   53.361   15.831   1.4352   7.2002   3.5180   12.905   0.4937   8.6762   59.944   24.690   46.779   19.821 13.16463 31.66135 
1 1 1  -14   16   36 o   69.970   14.217   13.278   6.4524   2.5370   9.5357   22.349   8.7633   51.549   21.227   88.392   18.918 -36.84336 28.43365 
1 1 1  -14   16   37 o  163.733   8.2011   73.496   7.1893   69.315   10.740   76.891   9.6773  159.379   12.470  168.087   10.655 -8.708603 16.40212 
1 1 1  -14   16   38 o  108.117   11.449   32.246   6.6632   30.398   9.6669   33.919   9.1971  105.057   17.028  111.177   15.309 -6.119583 22.89833 
1 1 1  -14   16   39 o  260.096   6.4931  183.913   9.0708  184.426   13.602  183.503   12.173  260.331   9.6689  259.861   8.6690 0.4696350 12.98617 
1 1 1  -14   16   40 o  126.273   10.133   44.979   6.7116   37.911   10.286   50.219   8.8566  117.090   16.258  135.458   12.100 -18.36806 20.26605 
1 1 1  -14   16   41 o  252.793   6.3587  174.028   8.6582  173.626   12.757  174.370   11.790  252.444   9.3515  253.142   8.6187 -0.6986694 12.71743 
1 1 1  -14   16   42 o  248.185   6.2601  167.822   8.3493  167.195   12.465  168.333   11.244  247.658   9.3144  248.712   8.3666 -1.053650 12.52030 
1 1 1  -14   16   43 o  168.026   7.6839   78.871   6.8059   68.724   10.423   86.412   8.9859  158.119   12.199  177.932   9.3458 -19.81293 15.36783 
1 1 1  -14   16   44 o  138.162   9.0614   52.617   6.6972   53.340   10.246   52.078   8.8490  138.786   13.663  137.538   11.907 1.248337 18.12274 
1 1 1  -14   16   45 o  163.949   7.8023   72.631   6.8153   81.279   10.772   66.860   8.8005  171.798   11.604  156.099   10.433 15.69945 15.60457 
1 1 1  -14   16   46 o  201.310   6.9982  112.493   7.4633  103.616   11.486  118.980   9.8183  194.011   10.956  208.609   8.7100 -14.59869 13.99647 
1 1 1  -14   16   47 o   48.499   13.895   3.5913   5.6678   1.6704   8.8016   4.9522   7.4083   47.435   20.024   49.564   19.270 -2.129093 27.78985 
1 1 1  -14   16   48 o   75.123   12.509   17.791   5.8663   3.0140   9.0977   28.307   7.6749   49.797   20.640  100.448   14.140 -50.65136 25.01896 
1 1 1  -14   16   49 o   87.469   12.846   21.327   5.9968   33.726   9.5107   13.144   7.7263  108.673   16.196   66.265   19.945 42.40882 25.69250 
1 1 1  -14   16   50 o  242.162   6.4687  162.268   8.4138  151.501   12.321  171.676   11.518  234.300   9.7314  250.024   8.5249 -15.72389 12.93734 
1 1 1  -14   16   51 o   97.825   12.618   28.792   6.3781   25.394   9.7609   31.325   8.4256   90.841   20.385  104.808   14.877 -13.96718 25.23682 
1 1 1  -14   16   52 o   51.657   14.499   4.0874   6.2049   10.350   9.5399  -0.5044   8.1688   60.953   22.257   42.361   18.587 18.59202 28.99738 
1 1 1  -14   16   53 o  131.216   9.8445   48.313   6.8865   60.855   10.466   38.737   9.1452  146.309   13.238  116.122   14.574 30.18668 19.68897 
1 1 1  -14   16   54 o  117.709   10.472   39.540   6.6288   43.969   9.9787   36.042   8.8684  123.483   14.955  111.935   14.662 11.54721 20.94319 
1 1 1  -14   16   55 o   63.263   16.378   11.742   7.9115   17.312   9.9553   2.1941   13.034   72.767   22.780   53.759   23.536 19.00708 32.75515 
1 1 1  -14   16   56 o  175.431   10.857   86.762   10.293   0.0000   0.0000   86.762   10.293  ?   ?   175.431   10.857      ?      ? 
1 1 1  -14   16   57 o   55.186   15.313  -2.1218   7.1926   22.860   13.260 -12.5358   8.5615   78.576   26.421   31.796   15.486 46.78001 30.62520 
1 1 1  -14   16   58 o   31.223   10.910 -18.9944   6.8279 -27.0213   10.465 -13.0456   9.0095   29.668   14.894   32.779   15.947 -3.110538 21.82023 
1 1 1  -14   16   59 f   59.594   17.826   8.8472   9.7071   9.6577   15.646   8.3401   12.377   61.607   26.375   57.581   23.987 4.026070 35.65182 
1 1 1  -14   16   60 o   58.661   15.754   4.6817   9.6645 -27.8604   15.174   26.892   12.536   36.714   18.359   80.608   25.606 -43.89415 31.50706 
1 1 1  -14   16   61 o   51.903   15.150   6.5683   6.8824   11.311   10.620   3.1344   9.0369   58.110   22.930   45.696   19.807 12.41442 30.29983 
1 1 1  -14   17    1 o  740.702   9.4934  1484.67   37.975  1508.09   54.805  1463.03   52.669  746.301   13.590  735.103   13.259 11.19739 18.98674 
1 1 1  -14   17    3 o  574.944   7.8158  894.358   24.278  896.934   34.664  891.878   34.015  575.750   11.142  574.138   10.964 1.611816 15.63161 
1 1 1  -14   17    5 o  780.881   9.9222  1650.81   41.859  1624.76   58.452  1678.23   59.972  774.569   13.965  787.192   14.099 -12.62311 19.84440 
1 1 1  -14   17    6 o  938.270   16.456  2386.32   83.435   0.0000   0.0000  2386.32   83.435  ?   ?   938.270   16.456      ?      ? 
1 1 1  -14   17    7 o  427.727   6.7254  494.108   15.533  473.839   21.484  516.305   22.483  418.551   9.4992  436.903   9.5231 -18.35208 13.45080 
1 1 1  -14   17    8 f  1155.82   14.109  3623.33   88.057  3535.68  121.768  3719.41  127.492  1141.24   19.745  1170.40   20.159 -29.15869 28.21799 
1 1 1  -14   17    9 o  787.019   9.9766  1677.59   42.428  1669.50   60.065  1685.65   59.938  785.120   14.158  788.919   14.060 -3.799500 19.95313 
1 1 1  -14   17   10 o  1115.86   13.607  3376.85   82.003  3310.49  113.802  3448.52  118.266  1104.51   19.067  1127.21   19.416 -22.70142 27.21314 
1 1 1  -14   17   11 o  627.900   8.4214  1066.95   28.573  1054.17   40.254  1079.94   40.563  624.106   11.936  631.693   11.883 -7.586792 16.84290 
1 1 1  -14   17   12 o  837.158   10.532  1898.41   47.643  1880.28   67.083  1916.86   67.677  833.123   14.901  841.192   14.889 -8.068420 21.06448 
1 1 1  -14   17   13 o  434.541   6.7796  510.778   15.914  509.251   22.776  512.235   22.245  433.900   9.7141  435.182   9.4597 -1.282166 13.55917 
1 1 1  -14   17   14 o  425.282   9.3688  489.207   21.530   0.0000   0.0000  489.207   21.530  ?   ?   425.282   9.3688      ?      ? 
1 1 1  -14   17   15 o  437.224   6.8548  517.031   16.192  503.307   22.735  531.161   23.068  431.334   9.7542  443.115   9.6338 -11.78146 13.70965 
1 1 1  -14   17   16 o  871.970   10.904  2060.50   51.369  2032.52   71.930  2089.62   73.384  865.939   15.372  878.001   15.468 -12.06219 21.80702 
1 1 1  -14   17   17 o  332.211   6.7213  298.404   12.051  278.150   16.835  319.684   17.257  320.648   9.7164  343.775   9.2895 -23.12646 13.44256 
1 1 1  -14   17   18 o  502.080   10.304  682.083   27.955   0.0000   0.0000  682.083   27.955  ?   ?   502.080   10.304      ?      ? 
1 1 1  -14   17   19 o  644.083   8.5832  1121.37   29.846  1078.90   41.169  1168.42   43.332  631.258   12.069  656.907   12.207 -25.64966 17.16634 
1 1 1  -14   17   20 o  427.007   6.8760  492.917   15.858  477.821   22.010  509.211   22.867  420.217   9.6929  433.796   9.7552 -13.57880 13.75194 
1 1 1  -14   17   21 o  778.639   9.9280  1638.63   41.685  1567.59   56.756  1721.83   61.422  760.418   13.813  796.861   14.264 -36.44330 19.85596 
1 1 1  -14   17   22 o  774.340   9.8746  1624.58   41.301  1586.17   57.398  1665.83   59.474  764.869   13.887  783.811   14.042 -18.94177 19.74928 
1 1 1  -14   17   23 o  369.967   9.0587  370.375   18.110   0.0000   0.0000  370.375   18.110  ?   ?   369.967   9.0587      ?      ? 
1 1 1  -14   17   24 o  720.619   13.086  1408.00   50.958   0.0000   0.0000  1408.00   50.958  ?   ?   720.619   13.086      ?      ? 
1 1 1  -14   17   25 o  434.483   6.8287  509.460   16.005  474.550   21.936  549.196   23.403  418.617   9.6974  450.348   9.6170 -31.73053 13.65746 
1 1 1  -14   17   26 o  485.387   7.1885  637.863   18.848  617.596   26.290  659.297   27.037  477.455   10.190  493.318   10.142 -15.86243 14.37709 
1 1 1  -14   17   27 o  106.872   13.151   32.259   7.2907   25.642   10.535   38.340   10.100   95.022   21.070  118.721   15.743 -23.69955 26.30237 
1 1 1  -14   17   28 o  260.618   8.7519  182.656   10.995  188.063   21.139  180.650   12.874  262.980   14.875  258.256   9.2253 4.724304 17.50385 
1 1 1  -14   17   29 o  337.510   14.640  309.910   26.701  309.910   26.701   0.0000   0.0000  337.510   14.640  ?   ?       ?      ? 
1 1 1  -14   17   31 o   96.252   25.918   26.599   13.780   26.599   13.780   0.0000   0.0000   96.252   25.918  ?   ?       ?      ? 
1 1 1  -14   17   32 o  195.468   10.348  104.194   10.928  102.117   15.309  106.351   15.605  193.482   14.643  197.454   14.625 -3.972839 20.69580 
1 1 1  -14   17   33 o  337.713   6.5741  309.946   11.941  304.189   17.671  314.784   16.200  334.748   9.7693  340.679   8.7997 -5.931061 13.14816 
1 1 1  -14   17   34 o  268.897   8.7805  196.218   12.758   0.0000   0.0000  196.218   12.758  ?   ?   268.897   8.7805      ?      ? 
1 1 1  -14   17   35 o  402.272   6.5843  439.488   14.291  442.332   20.813  436.951   19.658  403.446   9.5470  401.097   9.0700 2.348602 13.16855 
1 1 1  -14   17   36 o  141.258   9.5205   54.480   7.2575   55.738   10.584   53.364   9.9708  142.763   13.720  139.752   13.203 3.010986 19.04105 
1 1 1  -14   17   37 o  399.947   6.6066  434.285   14.260  405.033   19.797  465.830   20.559  385.929   9.4931  413.966   9.1906 -28.03619 13.21310 
1 1 1  -14   17   38 o  367.462   6.4628  367.575   12.813  342.272   18.038  393.342   18.203  354.614   9.4135  380.311   8.8575 -25.69650 12.92553 
1 1 1  -14   17   39 o  194.380   7.2680  102.297   7.5635  108.719   11.646   97.612   9.9467  199.517   10.802  189.243   9.7269 10.27415 14.53606 
1 1 1  -14   17   40 o  154.653   8.4578   66.047   7.0006   60.849   10.381   70.382   9.4811  148.851   12.906  160.454   10.935 -11.60321 16.91565 
1 1 1  -14   17   41 o   79.132   14.231   17.252   6.3286   27.239   9.7499   9.9811   8.3194   96.943   19.291   61.320   20.926 35.62239 28.46125 
1 1 1  -14   17   42 o  210.060   6.8785  120.085   7.7396  124.607   11.840  116.711   10.227  213.358   10.270  206.763   9.1536 6.595413 13.75709 
1 1 1  -14   17   43 o  150.222   8.4763   63.123   6.7632   51.726   9.7909   73.525   9.3532  136.730   13.252  163.715   10.573 -26.98460 16.95253 
1 1 1  -14   17   44 o  118.733   10.676   42.097   6.2328   29.541   9.5602   51.379   8.2199  100.800   18.223  136.666   11.131 -35.86629 21.35297 
1 1 1  -14   17   45 o  238.939   6.4638  154.178   8.2356  169.525   12.950  143.755   10.672  248.602   9.6400  229.276   8.6136 19.32614 12.92762 
1 1 1  -14   17   46 o  226.120   8.7495  140.094   10.691   0.0000   0.0000  140.094   10.691  ?   ?   226.120   8.7495      ?      ? 
1 1 1  -14   17   47 o  141.418   8.6224   56.020   6.5048   52.646   9.8341   58.643   8.6732  137.238   13.261  145.597   11.024 -8.359406 17.24474 
1 1 1  -14   17   48 o  331.268   6.2530  300.858   11.133  308.629   16.721  294.669   14.921  334.843   9.2412  327.693   8.4263 7.149750 12.50609 
1 1 1  -14   17   49 o  163.583   7.8059   73.465   6.8450   81.040   10.519   67.901   9.0149  170.663   11.406  156.504   10.660 14.15935 15.61182 
1 1 1  -14   17   50 o   97.871   12.081   27.681   6.2111   32.738   9.4915   23.894   8.2139  106.447   16.501   89.295   17.649 17.15225 24.16122 
1 1 1  -14   17   51 o  134.620   9.3196   51.263   6.6697   51.664   10.406   50.982   8.6892  134.510   14.317  134.730   11.935 -0.2196503 18.63920 
1 1 1  -14   17   52 o   44.462   13.613  -1.6003   6.2229   5.8692   9.5238  -7.1653   8.2204   53.419   21.501   35.505   16.701 17.91487 27.22575 
1 1 1  -14   17   53 o  333.321   6.4436  308.037   11.587  301.696   16.761  313.841   16.036  329.764   9.4061  336.878   8.8094 -7.113586 12.88722 
1 1 1  -14   17   54 o   80.488   17.414   21.984   8.0860   22.609   9.8429   20.687   14.181   83.388   21.652   77.588   27.280 5.799072 34.82813 
1 1 1  -14   17   55 o   83.806   17.635   24.076   8.3539   23.853   10.303   24.504   14.274   84.912   22.203   82.700   27.405 2.212494 35.27048 
1 1 1  -14   17   56 o   51.400   15.566   4.0184   7.2347   6.7252   12.869   2.7677   8.7479   56.561   24.060   46.240   19.757 10.32156 31.13223 
1 1 1  -14   17   57 o   87.381   13.590   31.194   8.6260 -12.2883   16.546   47.425   10.109   47.820   22.839  126.943   14.736 -79.12321 27.18047 
1 1 1  -14   17   58 o   63.717   18.385   11.561   9.7543   18.070   15.909   7.6396   12.348   70.706   28.012   56.727   23.819 13.97897 36.76980 
1 1 1  -14   17   59 o   69.199   18.865   20.615   9.9423   20.279   15.691   20.840   12.851   67.986   27.516   70.411   25.814 -2.424629 37.72921 
1 1 1  -14   17   60 o   53.225   15.433   8.0190   7.0885   7.3094   10.524   8.6084   9.5904   52.711   22.052   53.739   21.595 -1.027836 30.86519 
1 1 1  -14   18    1 o  542.968   7.6975  796.881   22.573  772.537   31.316  823.206   32.566  534.348   10.846  551.587   10.926 -17.23950 15.39491 
1 1 1  -14   18    2 o  592.013   8.1018  945.980   25.879  904.526   35.434  993.372   37.887  578.158   11.342  605.868   11.572 -27.71033 16.20360 
1 1 1  -14   18    3 f  342.046   6.5835  316.082   12.140  321.344   17.853  311.556   16.557  344.680   9.5851  339.412   9.0274 5.268707 13.16693 
1 1 1  -14   18    4 o  538.956   7.6509  785.933   22.273  785.426   31.947  786.413   31.069  538.776   10.973  539.136   10.665 -0.3603516 15.30179 
1 1 1  -14   18    5 o  466.919   7.1091  588.572   17.916  565.493   24.623  614.535   26.117  457.217   9.9663  476.621   10.140 -19.40390 14.21811 
1 1 1  -14   18    6 o  1121.35   13.700  3412.01   82.994  3454.71  118.997  3371.57  115.810  1128.14   19.520  1114.56   19.229 13.58130 27.40058 
1 1 1  -14   18    8 o  260.452   7.0334  183.419   9.8827  169.404   13.798  198.184   14.162  250.231   10.204  270.672   9.6825 -20.44072 14.06680 
1 1 1  -14   18    9 o  584.738   11.277  925.356   35.633   0.0000   0.0000  925.356   35.633  ?   ?   584.738   11.277      ?      ? 
1 1 1  -14   18   10 o  371.049   6.7759  372.099   13.577  353.781   18.911  391.581   19.503  361.630   9.6777  380.468   9.4864 -18.83832 13.55176 
1 1 1  -14   18   11 o  651.055   8.6613  1147.36   30.468  1128.04   42.750  1167.30   43.434  645.485   12.256  656.625   12.241 -11.13922 17.32258 
1 1 1  -14   18   12 o  461.306   7.1126  575.741   17.727  561.099   24.973  590.610   25.167  455.389   10.149  467.223   9.9682 -11.83380 14.22528 
1 1 1  -14   18   13 o  556.291   7.8346  836.324   23.534  801.537   32.582  874.272   34.030  544.213   11.079  568.369   11.080 -24.15594 15.66917 
1 1 1  -14   18   14 o  639.460   8.5820  1107.02   29.652  1109.67   42.210  1104.42   41.664  640.211   12.201  638.709   12.072 1.502502 17.16391 
1 1 1  -14   18   17 o  381.652   9.5021  394.153   19.596   0.0000   0.0000  394.153   19.596  ?   ?   381.652   9.5021      ?      ? 
1 1 1  -14   18   18 o  525.205   10.600  746.786   30.083   0.0000   0.0000  746.786   30.083  ?   ?   525.205   10.600      ?      ? 
1 1 1  -14   18   19 o  422.229   6.8896  482.397   15.716  468.669   22.065  496.533   22.390  416.128   9.8128  428.330   9.6735 -12.20224 13.77924 
1 1 1  -14   18   20 o  204.671   7.7210  112.844   8.5005  129.193   12.479   98.692   11.611  218.444   10.572  190.898   11.255 27.54570 15.44199 
1 1 1  -14   18   21 o  517.667   7.4601  725.643   20.866  712.831   29.409  738.632   29.611  513.059   10.608  522.275   10.492 -9.215637 14.92020 
1 1 1  -14   18   22 o  247.046   6.9197  165.501   9.2211  154.667   13.075  176.222   13.006  238.972   10.125  255.122   9.4346 -16.14983 13.83949 
1 1 1  -14   18   23 o  601.693   8.1745  980.612   26.565  951.126   36.879  1012.41   38.299  592.308   11.523  611.078   11.598 -18.77075 16.34907 
1 1 1  -14   18   24 o  407.003   6.8084  448.706   14.967  430.912   21.080  466.793   21.253  398.850   9.7808  415.156   9.4737 -16.30612 13.61678 
1 1 1  -14   18   25 o  734.828   13.376  1466.25   53.111   0.0000   0.0000  1466.25   53.111  ?   ?   734.828   13.376      ?      ? 
1 1 1  -14   18   26 o  104.583   16.721   32.444   9.1571   37.395   11.433   23.581   15.295  117.072   18.072   92.095   28.139 24.97723 33.44238 
1 1 1  -14   18   29 o  135.658   20.671   50.608   15.153   50.608   15.153   0.0000   0.0000  135.658   20.671  ?   ?       ?      ? 
1 1 1  -14   18   30 o   45.624   14.634  -7.0507   7.7310  -2.3446   12.013 -10.3775   10.100   51.660   22.607   39.588   18.587 12.07204 29.26702 
1 1 1  -14   18   31 o  185.122   8.0394   93.481   7.9027   91.547   12.310   94.836   10.307  183.375   12.424  186.870   10.207 -3.495468 16.07872 
1 1 1  -14   18   32 o  308.207   6.4037  258.106   10.654  248.829   15.224  267.009   14.914  302.735   9.3063  313.680   8.7989 -10.94504 12.80733 
1 1 1  -14   18   33 o  100.916   13.121   29.011   6.9196   24.294   10.075   33.224   9.5205   91.833   20.787  110.000   16.017 -18.16708 26.24166 
1 1 1  -14   18   34 o  186.615   7.8894   95.052   7.9031   92.930   11.803   96.776   10.641  184.631   11.830  188.599   10.441 -3.967453 15.77883 
1 1 1  -14   18   35 o  143.387   9.3814   55.718   7.1808   59.452   11.195   53.107   9.3598  147.324   14.063  139.451   12.421 7.874023 18.76280 
1 1 1  -14   18   36 o  168.497   8.4838   78.596   7.6010   70.647   11.457   84.844   10.158  160.587   13.204  176.407   10.657 -15.82031 16.96757 
1 1 1  -14   18   37 o  236.367   6.9507  152.460   8.8465  149.847   13.007  154.710   12.068  234.387   10.269  238.348   9.3697 -3.961319 13.90149 
1 1 1  -14   18   38 o  126.641   10.095   44.119   6.8717   44.812   10.293   43.561   9.2296  127.419   14.949  125.862   13.571 1.556755 20.19031 
1 1 1  -14   18   39 o  209.007   9.6141  119.150   10.858   0.0000   0.0000  119.150   10.858  ?   ?   209.007   9.6141      ?      ? 
1 1 1  -14   18   40 o  275.853   6.4683  208.230   9.5701  201.869   14.311  213.375   12.871  271.853   9.7422  279.853   8.5115 -7.999908 12.93663 
1 1 1  -14   18   41 o   69.012   14.879   13.664   6.3608   7.7971   9.3349   18.749   8.6907   58.334   21.885   79.689   20.166 -21.35516 29.75887 
1 1 1  -14   18   42 o   46.384   14.007   0.5636   6.2383  -2.0830   9.5568   2.5286   8.2347   45.035   19.918   47.734   19.699 -2.699493 28.01393 
1 1 1  -14   18   43 o  300.582   8.5454  246.827   13.880   0.0000   0.0000  246.827   13.880  ?   ?   300.582   8.5454      ?      ? 
1 1 1  -14   18   44 o   57.529   15.178   7.7651   6.2055   9.4125   9.9629   6.7208   7.9321   61.306   22.685   53.752   20.172 7.554111 30.35685 
1 1 1  -14   18   45 o   74.708   14.585   16.632   5.9661   17.536   9.6445   16.072   7.5934   76.081   22.129   73.335   19.006 2.745316 29.17073 
1 1 1  -14   18   46 o   59.487   14.018   7.5042   5.8433   17.856   9.0931   0.2225   7.6265   76.518   21.240   42.455   18.299 34.06274 28.03562 
1 1 1  -14   18   47 o   81.520   13.266   20.757   6.0680   11.193   9.0692   28.507   8.1648   62.826   21.831  100.214   15.077 -37.38760 26.53147 
1 1 1  -14   18   48 o  174.060   7.7368   84.508   7.2301   80.574   10.691   87.823   9.8152  169.998   11.638  178.122   10.198 -8.123917 15.47355 
1 1 1  -14   18   49 f  195.363   7.2847  105.078   7.6182  112.394   11.745   99.764   10.010  200.913   10.818  189.813   9.7589 11.10033 14.56947 
1 1 1  -14   18   50 o  114.971   10.729   38.567   6.5272   34.638   9.9417   41.545   8.6536  108.906   16.893  121.035   13.231 -12.12869 21.45814 
1 1 1  -14   18   51 o  173.595   8.0321   85.446   7.3914   79.218   11.354   90.027   9.7373  167.330   12.557  179.859   10.019 -12.52908 16.06419 
1 1 1  -14   18   52 o  189.105   7.7766  100.694   7.8624   96.756   11.869  103.774   10.496  185.240   11.857  192.971   10.065 -7.730576 15.55317 
1 1 1  -14   18   53 f  172.572   10.604   86.817   9.3647   86.908   11.575   86.644   15.934  174.803   12.254  170.343   17.311 4.459946 21.20895 
1 1 1  -14   18   54 o  150.814   11.607   64.667   9.1313   56.333   11.274   80.563   15.569  138.469   15.067  163.159   17.659 -24.69051 23.21354 
1 1 1  -14   18   55 o   68.596   17.174   13.174   7.5807   26.171   13.930   7.7058   9.0358   83.409   27.045   53.784   21.173 29.62468 34.34741 
1 1 1  -14   18   56 o   78.497   29.782   23.063   17.399   23.063   17.399   0.0000   0.0000   78.497   29.782  ?   ?       ?      ? 
1 1 1  -14   18   57 o   55.803   16.996   6.4295   9.2098   3.1712   15.304   8.2793   11.531   55.161   24.748   56.445   23.304 -1.284275 33.99287 
1 1 1  -14   18   58 o   51.049   15.659   5.8358   8.0219   7.2507   11.223   4.3581   11.470   52.496   22.403   49.602   21.886 2.894249 31.31896 
1 1 1  -14   18   59 o   83.622   15.493   25.048   7.0168   26.886   10.850   23.727   9.1994   85.116   23.031   82.128   20.728 2.988380 30.98511 
1 1 1  -14   19    1 f  403.034   6.9332  439.067   15.089  416.300   21.028  463.231   21.664  392.267   9.9204  413.801   9.6885 -21.53348 13.86649 
1 1 1  -14   19    2 o  338.458   6.7303  309.200   12.292  288.017   16.974  332.558   17.824  326.291   9.6271  350.624   9.4077 -24.33322 13.46059 
1 1 1  -14   19    3 o  460.112   7.1720  570.744   17.800  534.927   24.336  611.947   26.102  444.646   10.129  475.578   10.157 -30.93280 14.34406 
1 1 1  -14   19    4 o  184.568   8.5658   92.261   8.5381   95.742   12.066   88.770   12.083  188.063   11.874  181.072   12.349 6.990555 17.13150 
1 1 1  -14   19    6 o  246.790   7.3791  164.800   9.8398  164.648   13.829  164.956   14.004  246.677   10.375  246.903   10.496 -0.2261963 14.75824 
1 1 1  -14   19    7 o  479.118   10.269  621.122   26.586   0.0000   0.0000  621.122   26.586  ?   ?   479.118   10.269      ?      ? 
1 1 1  -14   19    8 o  308.420   9.5786  257.338   15.964   0.0000   0.0000  257.338   15.964  ?   ?   308.420   9.5786      ?      ? 
1 1 1  -14   19   10 o  880.068   11.043  2099.54   52.505  2065.21   73.267  2135.78   75.281  872.692   15.537  887.444   15.698 -14.75183 22.08693 
1 1 1  -14   19   11 o  479.646   7.2443  620.414   18.741  584.481   25.588  662.002   27.527  464.721   10.189  494.571   10.300 -29.85007 14.48857 
1 1 1  -14   19   13 o   81.999   16.785   18.651   7.8789   20.822   11.361   16.640   10.936   86.034   23.687   77.964   23.788 8.070152 33.57026 
1 1 1  -14   19   14 o  713.960   9.3359  1381.44   36.016  1361.01   50.657  1402.33   51.215  708.618   13.229  719.302   13.176 -10.68414 18.67176 
1 1 1  -14   19   15 o  666.542   8.8772  1203.65   31.972  1189.70   44.942  1217.95   45.493  662.631   12.552  670.452   12.557 -7.820190 17.75438 
1 1 1  -14   19   16 f  346.266   6.8364  324.457   12.786  326.200   18.379  322.823   17.799  347.159   9.7973  345.373   9.5373 1.786041 13.67280 
1 1 1  -14   19   17 o  256.723   7.3637  178.642   10.193  175.271   14.833  181.658   14.030  254.406   10.790  259.040   10.023 -4.634430 14.72734 
1 1 1  -14   19   18 o  414.346   6.8985  464.907   15.443  456.630   21.890  473.109   21.790  410.664   9.8642  418.028   9.6463 -7.364166 13.79690 
1 1 1  -14   19   19 f  352.014   6.7043  335.616   12.749  329.633   18.118  341.485   17.944  348.895   9.6100  355.133   9.3508 -6.238464 13.40857 
1 1 1  -14   19   20 o  257.498   9.6824  179.583   13.472   0.0000   0.0000  179.583   13.472  ?   ?   257.498   9.6824      ?      ? 
1 1 1  -14   19   21 o  201.572   8.0111  110.351   8.7103  104.860   12.470  115.582   12.172  196.641   11.736  206.501   10.908 -9.859985 16.02217 
1 1 1  -14   19   22 o  603.294   8.2729  985.282   26.943  944.329   37.116  1030.90   39.173  590.079   11.640  616.510   11.759 -26.43097 16.54572 
1 1 1  -14   19   23 o  391.444   13.441  416.216   28.431   0.0000   0.0000  416.216   28.431  ?   ?   391.444   13.441      ?      ? 
1 1 1  -14   19   24 o  444.664   9.8895  535.415   23.691  564.865   35.203  511.036   32.029  455.732   14.295  433.596   13.670 22.13602 19.77900 
1 1 1  -14   19   27 o  305.734   13.413  254.505   22.160  254.505   22.160   0.0000   0.0000  305.734   13.413  ?   ?       ?      ? 
1 1 1  -14   19   28 o  331.093   9.1970  297.342   16.455   0.0000   0.0000  297.342   16.455  ?   ?   331.093   9.1970      ?      ? 
1 1 1  -14   19   29 f   64.484   16.031   10.218   6.8769   10.590   10.504   9.9382   9.0980   66.004   23.449   62.964   21.866 3.040730 32.06224 
1 1 1  -14   19   30 o  293.654   6.6567  234.029   10.543  236.577   15.432  231.798   14.437  295.110   9.6773  292.198   9.1433 2.911774 13.31350 
1 1 1  -14   19   31 o  437.374   9.5570  519.859   22.587   0.0000   0.0000  519.859   22.587  ?   ?   437.374   9.5570      ?      ? 
1 1 1  -14   19   32 o  202.915   7.6866  112.770   8.3736  103.909   12.235  120.578   11.485  195.266   11.596  210.565   10.094 -15.29832 15.37327 
1 1 1  -14   19   33 o  105.631   12.796   31.074   7.0915   37.138   10.480   25.952   9.6312  116.118   16.703   95.144   19.391 20.97446 25.59279 
1 1 1  -14   19   34 o  226.480   7.0028  140.900   8.4902  126.857   12.463  153.063   11.598  215.711   10.692  237.249   9.0467 -21.53838 14.00554 
1 1 1  -14   19   35 f   82.622   14.194   20.353   6.7981   9.6535   10.281   28.665   9.0619   63.468   23.116  101.776   16.477 -38.30865 28.38712 
1 1 1  -14   19   36 o  114.313   11.974   36.253   7.1504   44.689   10.719   29.490   9.5979  127.140   15.602  101.485   18.169 25.65444 23.94898 
1 1 1  -14   19   37 o  172.257   8.2278   83.501   7.4389   64.615   10.938   99.755   10.147  153.297   13.204  191.217   9.8204 -37.91924 16.45556 
1 1 1  -14   19   38 o  152.954   8.8849   64.915   7.2121   60.795   11.096   67.928   9.4898  148.433   13.834  157.475   11.152 -9.042206 17.76973 
1 1 1  -14   19   39 o  220.207   7.0038  133.104   8.2715  128.670   12.361  136.698   11.131  216.690   10.557  223.724   9.2070 -7.034088 14.00767 
1 1 1  -14   19   40 o   96.223   13.327   28.798   6.5744   17.563   10.143   36.939   8.6336   77.036   22.777  115.411   13.844 -38.37546 26.65376 
1 1 1  -14   19   41 o  292.169   6.3705  233.174   9.9963  235.285   15.016  231.493   13.396  293.172   9.4783  291.166   8.5145 2.005859 12.74106 
1 1 1  -14   19   42 o  130.963   9.8868   47.109   6.9298   52.998   10.746   42.916   9.0671  137.732   14.438  124.195   13.511 13.53674 19.77368 
1 1 1  -14   19   43 o   68.413   14.450   13.661   6.4722   3.7203   9.7961   21.361   8.6220   52.256   21.516   84.570   19.293 -32.31451 28.89921 
1 1 1  -14   19   44 o  149.927   8.7315   62.860   6.9863   60.118   10.608   64.959   9.2842  146.648   13.386  153.206   11.215 -6.557266 17.46308 
1 1 1  -14   19   45 o  232.661   6.6623  148.000   8.2876  156.282   12.815  142.046   10.866  237.954   9.9665  227.368   8.8437 10.58560 13.32452 
1 1 1  -14   19   46 o  111.562   10.687   35.089   6.3726   37.173   9.8641   33.596   8.3486  114.051   16.005  109.072   14.165 4.978935 21.37335 
1 1 1  -14   19   47 o  209.755   7.0431  121.963   7.9447  119.715   11.760  123.850   10.775  207.707   10.478  211.802   9.4148 -4.095139 14.08626 
1 1 1  -14   19   48 o   94.377   12.750   26.954   6.2478   24.064   9.5784   29.093   8.2427   88.037   20.515  100.717   15.145 -12.68025 25.49952 
1 1 1  -14   19   49 o  123.653   10.056   43.464   6.6648   46.015   10.194   41.559   8.8078  126.454   14.919  120.852   13.487 5.602226 20.11178 
1 1 1  -14   19   50 o  166.222   8.1107   78.385   7.1813   71.324   10.780   84.020   9.6292  158.796   12.563  173.649   10.262 -14.85370 16.22131 
1 1 1  -14   19   51 o  127.117   10.503   46.532   7.1664   49.076   10.880   44.584   9.5242  129.780   15.515  124.455   14.162 5.325020 21.00646 
1 1 1  -14   19   52 o  133.246   10.260   51.599   7.3730   49.353   10.584   53.717   10.277  130.071   15.058  136.420   13.941 -6.349121 20.52093 
1 1 1  -14   19   53 o  104.172   15.603   36.869   8.3885   40.473   10.616   30.878   13.688  115.738   16.974   92.606   26.185 23.13165 31.20555 
1 1 1  -14   19   54 o  161.247   10.984   78.543   8.5513   74.977   15.808   80.017   10.167  154.956   18.879  167.539   11.231 -12.58240 21.96715 
1 1 1  -14   19   55 o  167.072   15.210   97.122   11.547   63.829   19.076  116.374   14.506  133.790   27.310  200.355   13.398 -66.56526 30.42003 
1 1 1  -14   19   56 f  157.104   14.483   84.261   11.049   69.437   17.959   93.288   14.015  138.414   24.928  175.794   14.754 -37.37987 28.96678 
1 1 1  -14   19   57 o   83.890   15.702   25.249   7.2674   31.905   11.033   20.147   9.6591   94.050   22.086   73.729   22.325 20.32087 31.40365 
1 1 1  -14   19   58 o   74.025   16.426   20.704   7.2559   23.064   11.119   18.954   9.5760   76.826   24.078   71.225   22.349 5.600769 32.85206 
1 1 1  -14   20    1 o  177.179   13.810   85.108   13.222   85.108   13.222   0.0000   0.0000  177.179   13.810  ?   ?       ?      ? 
1 1 1  -14   20    4 o  354.553   9.8871  340.241   18.942   0.0000   0.0000  340.241   18.942  ?   ?   354.553   9.8871      ?      ? 
1 1 1  -14   20    5 o  593.643   8.3174  954.574   26.680  951.134   37.854  957.970   37.610  592.573   11.822  594.714   11.703 -2.140686 16.63486 
1 1 1  -14   20    6 o  373.578   6.8899  377.617   13.904  364.967   19.503  390.693   19.828  367.212   9.8289  379.945   9.6578 -12.73349 13.77970 
1 1 1  -14   20    7 o  260.530   7.1264  183.502   10.024  173.118   13.931  194.650   14.434  252.891   10.194  268.169   9.9609 -15.27754 14.25281 
1 1 1  -14   20    8 o  222.916   7.4028  134.548   8.9001  134.121   12.984  134.927   12.223  222.568   10.796  223.264   10.132 -0.6957703 14.80569 
1 1 1  -14   20    9 o  133.007   11.004   48.009   7.8286   39.351   10.821   57.517   11.340  120.382   16.635  145.631   14.410 -25.24940 22.00829 
1 1 1  -14   20   10 o  120.869   11.737   39.457   7.6347   34.794   10.417   44.869   11.222  113.179   17.033  128.559   16.154 -15.37952 23.47492 
1 1 1  -14   20   11 o  314.191   6.8360  267.187   11.603  267.219   16.590  267.157   16.235  314.203   9.7710  314.178   9.5629 0.2456665E-01 13.67196 
1 1 1  -14   20   12 o  588.250   11.471  937.411   36.464   0.0000   0.0000  937.411   36.464  ?   ?   588.250   11.471      ?      ? 
1 1 1  -14   20   13 o  399.861   6.9009  433.148   14.901  423.878   21.325  441.993   20.829  395.659   9.9741  404.062   9.5397 -8.403076 13.80176 
1 1 1  -14   20   16 o  196.016   8.6640  104.112   9.1635  106.089   13.376  102.363   12.579  197.751   12.518  194.281   11.982 3.470062 17.32802 
1 1 1  -14   20   17 o  563.781   8.0199  860.470   24.413  829.676   33.719  894.396   35.392  553.206   11.280  574.356   11.403 -21.15021 16.03983 
1 1 1  -14   20   18 o  235.760   9.0312  148.023   11.259  138.048   14.310  164.234   18.242  225.611   11.738  245.909   13.728 -20.29779 18.06250 
1 1 1  -14   20   19 o  529.832   9.3900  758.060   25.537  748.864   31.437  775.901   43.785  525.542   11.070  534.121   15.170 -8.579163 18.77998 
1 1 1  -14   20   20 o  241.632   9.7506  158.929   12.710  166.171   17.762  151.329   18.195  247.333   13.290  235.932   14.272 11.40103 19.50118 
1 1 1  -14   20   21 o  686.182   12.747  1284.64   47.230  1255.41   65.326  1316.67   68.365  678.089   17.828  694.275   18.223 -16.18573 25.49359 
1 1 1  -14   20   22 o  542.467   15.463  802.027   45.325   0.0000   0.0000  802.027   45.325  ?   ?   542.467   15.463      ?      ? 
1 1 1  -14   20   24 o  131.413   21.654   47.590   15.377   0.0000   0.0000   47.590   15.377  ?   ?   131.413   21.654      ?      ? 
1 1 1  -14   20   25 o   99.714   17.418   29.294   9.2081   31.992   11.670   24.842   14.989  105.966   21.121   93.462   27.701 12.50339 34.83504 
1 1 1  -14   20   26 o  171.070   8.7332   80.525   7.9625   66.090   11.358   94.473   11.165  155.708   13.500  186.433   11.083 -30.72511 17.46643 
1 1 1  -14   20   27 o  239.247   7.2429  155.848   9.3046  152.566   13.882  158.526   12.538  236.873   10.846  241.621   9.6027 -4.748627 14.48583 
1 1 1  -14   20   28 o  617.091   8.4116  1037.69   28.047  1020.98   39.488  1054.70   39.843  612.058   11.939  622.123   11.852 -10.06512 16.82311 
1 1 1  -14   20   29 o  320.190   6.6915  278.835   11.548  274.922   16.883  282.275   15.830  318.006   9.8249  322.374   9.0870 -4.368011 13.38292 
1 1 1  -14   20   30 o  276.659   9.2927  207.963   13.892   0.0000   0.0000  207.963   13.892  ?   ?   276.659   9.2927      ?      ? 
1 1 1  -14   20   31 o  444.424   9.6887  537.229   23.268   0.0000   0.0000  537.229   23.268  ?   ?   444.424   9.6887      ?      ? 
1 1 1  -14   20   32 o  159.683   8.8257   70.175   7.5647   64.895   11.077   74.789   10.356  153.883   13.322  165.483   11.581 -11.60027 17.65145 
1 1 1  -14   20   33 o  541.612   10.788  800.859   31.572   0.0000   0.0000  800.859   31.572  ?   ?   541.612   10.788      ?      ? 
1 1 1  -14   20   34 o  197.050   7.5893  106.716   8.0247   98.781   11.777  113.594   10.964  190.017   11.469  204.083   9.9422 -14.06575 15.17869 
1 1 1  -14   20   35 o  100.061   13.255   28.767   6.8705   29.404   10.292   28.256   9.2280  100.824   19.596   99.299   17.854 1.524803 26.51000 
1 1 1  -14   20   36 o  448.769   9.7081  549.769   23.542   0.0000   0.0000  549.769   23.542  ?   ?   448.769   9.7081      ?      ? 
1 1 1  -14   20   37 o  124.349   16.300   44.559   8.8477   46.577   19.013   44.001   9.9960  122.777   29.102  125.920   14.691 -3.143394 32.59930 
1 1 1  -14   20   38 o  241.701   6.8706  159.866   8.9339  159.933   13.270  159.811   12.082  241.602   10.164  241.799   9.2471 -0.1974182 13.74128 
1 1 1  -14   20   39 o  133.277   10.227   49.676   7.2995   47.436   10.927   51.481   9.8090  130.253   15.525  136.301   13.318 -6.048019 20.45479 
1 1 1  -14   20   40 o  199.318   7.5330  110.046   8.0365  102.149   11.945  116.576   10.863  192.454   11.486  206.182   9.7499 -13.72862 15.06606 
1 1 1  -14   20   41 o  114.654   11.487   36.860   7.0805   42.337   10.547   32.365   9.5532  122.436   15.942  106.873   16.542 15.56353 22.97362 
1 1 1  -14   20   42 o  296.885   6.4954  241.712   10.374  244.173   15.447  239.690   14.002  298.051   9.5908  295.719   8.7623 2.332062 12.99086 
1 1 1  -14   20   43 o   99.260   12.952   29.805   6.5655   24.634   10.249   33.403   8.5502   89.695   21.437  108.826   14.540 -19.13139 25.90302 
1 1 1  -14   20   44 o   92.038   14.039   25.229   6.6085   27.562   10.828   23.844   8.3423   94.588   21.652   89.488   17.877 5.099808 28.07898 
1 1 1  -14   20   45 o  250.215   8.9823  172.348   12.145   0.0000   0.0000  172.348   12.145  ?   ?   250.215   8.9823      ?      ? 
1 1 1  -14   20   46 o  110.907   11.424   35.583   6.8072   34.138   10.035   36.815   9.2649  108.378   17.135  113.437   15.115 -5.058548 22.84863 
1 1 1  -14   20   47 o  130.499   9.9001   49.026   6.8344   45.593   10.562   51.499   8.9642  125.741   15.544  135.257   12.265 -9.515289 19.80016 
1 1 1  -14   20   48 o  130.643   9.9402   48.087   6.9065   53.055   10.961   44.815   8.8943  135.676   14.950  125.611   13.104 10.06522 19.88032 
1 1 1  -14   20   49 o   41.006   13.155  -4.9485   6.6557 -13.0943   10.055   1.4046   8.8796   35.894   17.314   46.118   19.810 -10.22424 26.30980 
1 1 1  -14   20   50 o  102.010   13.169   31.716   6.8889   32.290   11.132   31.360   8.7696  100.560   21.157  103.460   15.686 -2.900429 26.33766 
1 1 1  -14   20   51 o   37.492   12.505  -7.8579   6.5458  -6.1295   9.7824  -9.2592   8.8084   39.904   18.590   35.080   16.729 4.823788 25.00901 
1 1 1  -14   20   52 o   63.312   17.479   11.823   8.4065   9.1978   10.587   16.302   13.829   57.599   22.841   69.026   26.464 -11.42686 34.95810 
1 1 1  -14   20   54 f   79.090   25.743   22.340   12.616   0.0000   0.0000   22.340   12.616  ?   ?    79.090   25.743      ?      ? 
1 1 1  -14   20   55 o   63.535   18.498   12.578   9.7350   25.203   17.081   6.5045   11.847   74.318   29.158   52.752   22.772 21.56615 36.99669 
1 1 1  -14   20   56 o  137.124   10.719   58.502   7.7260   52.095   11.866   63.217   10.179  128.256   17.121  145.992   12.903 -17.73616 21.43893 
1 1 1  -14   20   57 f   48.560   14.783   5.1188   7.0619   2.2671   11.160   7.0232   9.1201   46.938   21.091   50.182   20.722 -3.244320 29.56698 
1 1 1  -14   21    1 o  384.126   9.0587  384.668   16.899  366.278   19.716  435.586   32.806  367.781   9.9204  400.471   15.160 -32.69000 18.11736 
1 1 1  -14   21    2 o  118.127   12.648   37.956   8.0685   39.856   11.546   36.142   11.279  121.027   17.656  115.228   18.115 5.798973 25.29560 
1 1 1  -14   21    4 o  416.698   9.9552  470.220   22.416   0.0000   0.0000  470.220   22.416  ?   ?   416.698   9.9552      ?      ? 
1 1 1  -14   21    6 o  360.119   6.9817  350.753   13.576  333.842   18.838  369.030   19.583  351.094   9.9292  369.144   9.8176 -18.04971 13.96332 
1 1 1  -14   21    7 o  156.038   9.6237   66.148   8.1066   63.965   11.588   68.240   11.345  153.495   13.971  158.580   13.239 -5.085266 19.24744 
1 1 1  -14   21    8 o  292.061   6.8565  231.049   10.817  229.694   15.490  232.339   15.112  291.214   9.8434  292.908   9.5475 -1.693329 13.71308 
1 1 1  -14   21    9 o  217.487   10.713  128.178   12.590   0.0000   0.0000  128.178   12.590  ?   ?   217.487   10.713      ?      ? 
1 1 1  -14   21   10 o  170.483   8.9747   79.084   8.2429   84.729   11.537   73.198   11.781  176.749   12.080  164.217   13.276 12.53166 17.94943 
1 1 1  -14   21   11 o  608.071   8.3769  1001.58   27.507  970.284   38.080  1035.72   39.778  598.163   11.781  617.979   11.912 -19.81537 16.75377 
1 1 1  -14   21   12 o  361.986   12.909  355.631   25.251   0.0000   0.0000  355.631   25.251  ?   ?   361.986   12.909      ?      ? 
1 1 1  -14   21   13 o  142.214   12.322   55.203   9.3349   55.707   12.248   54.505   14.420  143.093   15.840  141.335   18.881 1.758026 24.64491 
1 1 1  -14   21   14 o   82.667   18.769   18.347   9.5392   16.029   13.407   20.723   13.576   78.762   26.566   86.573   26.520 -7.810783 37.53806 
1 1 1  -14   21   15 o  405.868   9.3989  444.920   20.550  415.991   27.767  479.955   30.557  391.387   13.129  420.349   13.453 -28.96155 18.79783 
1 1 1  -14   21   16 o  111.613   16.528   35.207   9.8623   24.550   13.795   46.351   14.106   93.060   26.278  130.166   20.054 -37.10560 33.05609 
1 1 1  -14   21   17 o   63.354   17.983   5.3999   9.3739   4.5878   12.797   6.3401   13.770   61.374   24.846   65.334   26.005 -3.960289 35.96639 
1 1 1  -14   21   18 o  640.824   12.153  1121.37   42.084  1127.03   59.661  1115.77   59.370  642.433   17.186  639.215   17.188 3.218628 24.30631 
1 1 1  -14   21   19 o  245.818   9.9780  164.436   13.220  180.946   18.978  148.874   18.425  257.862   13.620  233.773   14.586 24.08910 19.95607 
1 1 1  -14   21   20 o  478.017   10.455  620.157   27.005   0.0000   0.0000  620.157   27.005  ?   ?   478.017   10.455      ?      ? 
1 1 1  -14   21   21 o  538.720   11.401  792.941   33.144  739.414   46.457  848.423   47.299  520.052   16.532  557.389   15.704 -37.33728 22.80143 
1 1 1  -14   21   22 o  446.662   10.493  544.808   25.275  501.351   35.513  589.414   35.979  428.449   15.339  464.876   14.323 -36.42706 20.98626 
1 1 1  -14   21   23 o   64.882   16.574   7.6506   8.6805   17.636   10.944  -9.2860   14.253   79.185   23.716   50.580   23.159 28.60468 33.14791 
1 1 1  -14   21   24 o  321.477   6.8642  281.342   11.894  263.437   17.027  298.404   16.622  311.392   10.119  331.561   9.2773 -20.16864 13.72843 
1 1 1  -14   21   25 o  243.238   7.1867  160.741   9.4377  163.327   13.680  158.393   13.037  245.078   10.330  241.398   9.9943 3.680283 14.37333 
1 1 1  -14   21   26 o  231.316   7.4718  145.658   9.3345  140.575   13.220  150.712   13.182  227.258   10.766  235.373   10.364 -8.115158 14.94354 
1 1 1  -14   21   27 o  226.531   7.4073  139.183   9.0472  146.092   13.347  133.309   12.306  231.688   10.661  221.375   10.287 10.31288 14.81466 
1 1 1  -14   21   28 o  133.735   10.846   48.799   7.7840   57.493   11.460   41.352   10.606  144.821   14.644  122.649   16.003 22.17180 21.69206 
1 1 1  -14   21   29 o  265.012   9.9932  191.184   14.311  191.184   14.311   0.0000   0.0000  265.012   9.9932  ?   ?       ?      ? 
1 1 1  -14   21   30 o  125.516   11.379   44.112   7.6006   37.084   11.066   50.390   10.458  115.632   17.710  135.400   14.293 -19.76847 22.75829 
1 1 1  -14   21   31 o  111.938   13.107   35.067   7.4978   50.101   11.294   23.218   10.026  134.689   15.518   89.187   21.128 45.50146 26.21430 
1 1 1  -14   21   32 o  186.236   8.1001   95.516   8.0960   85.406   11.677  104.875   11.235  176.518   12.242  195.954   10.610 -19.43658 16.20018 
1 1 1  -14   21   33 o  274.848   9.2449  205.884   13.730   0.0000   0.0000  205.884   13.730  ?   ?   274.848   9.2449      ?      ? 
1 1 1  -14   21   34 o  162.360   8.8741   73.033   7.6813   68.574   11.646   76.466   10.219  157.678   13.668  167.041   11.322 -9.362915 17.74821 
1 1 1  -14   21   35 o  361.772   9.0947  357.311   17.779   0.0000   0.0000  357.311   17.779  ?   ?   361.772   9.0947      ?      ? 
1 1 1  -14   21   36 o   69.699   21.634   14.052   9.0006   0.0000   0.0000   14.052   9.0006  ?   ?    69.699   21.634      ?      ? 
1 1 1  -14   21   37 o   89.089   13.959   22.438   6.8237   33.859   10.313   13.545   9.1004  109.577   17.418   68.601   21.819 40.97614 27.91875 
1 1 1  -14   21   38 f  100.901   13.478   29.803   7.0506   30.469   10.512   29.259   9.5060  101.634   19.852  100.168   18.234 1.466354 26.95550 
1 1 1  -14   21   39 o   65.211   14.954   9.8081   6.7121   21.119   10.190   1.1403   8.9205   83.372   22.218   47.049   20.023 36.32296 29.90895 
1 1 1  -14   21   40 o   60.761   14.432   8.0665   6.7718  -4.7186   10.090   18.544   9.1343   43.255   19.682   78.267   21.112 -35.01168 28.86349 
1 1 1  -14   21   41 o  131.596   10.000   48.175   7.0163   60.193   10.453   38.322   9.4651  146.717   13.185  116.475   15.039 30.24197 20.00036 
1 1 1  -14   21   42 o  208.867   10.236  120.596   11.553   0.0000   0.0000  120.596   11.553  ?   ?   208.867   10.236      ?      ? 
1 1 1  -14   21   43 o  252.883   6.8472  176.245   9.2597  178.080   14.175  174.879   12.229  253.658   10.342  252.109   8.9770 1.549118 13.69448 
1 1 1  -14   21   44 o  211.024   7.3798  123.318   8.3124  125.324   12.830  121.868   10.913  212.078   11.196  209.970   9.6179 2.108047 14.75953 
1 1 1  -14   21   45 o   56.884   13.908   6.1759   6.4818  -7.2385   9.6174   17.341   8.7740   39.225   18.326   74.544   20.925 -35.31901 27.81588 
1 1 1  -14   21   46 o   45.775   13.942   0.0201   6.5911  -7.2215   10.208   5.1982   8.6317   40.486   18.904   51.064   20.499 -10.57807 27.88488 
1 1 1  -14   21   47 o  134.224   10.104   51.642   7.1876   51.543   11.286   51.709   9.3229  133.342   15.663  135.106   12.770 -1.764282 20.20893 
1 1 1  -14   21   48 o  137.337   10.136   51.685   7.3261   71.425   11.851   39.473   9.3206  157.798   13.898  116.876   14.758 40.92272 20.27201 
1 1 1  -14   21   49 o   67.642   16.101   14.437   6.9136   16.652   10.565   12.778   9.1428   71.296   23.575   63.987   21.937 7.308716 32.20298 
1 1 1  -14   21   50 o  127.974   11.154   47.188   7.4999   64.931   11.549   34.248   9.8626  149.226   14.322  106.722   17.102 42.50454 22.30708 
1 1 1  -14   21   51 o   93.403   18.067   30.102   9.0280   26.049   11.123   37.928   15.456   86.519   23.280  100.286   27.636 -13.76710 36.13406 
1 1 1  -14   21   52 o   50.987   22.431   1.9615   11.966   0.0000   0.0000   1.9615   11.966  ?   ?    50.987   22.431      ?      ? 
1 1 1  -14   21   53 o  211.782   13.677  131.351   15.652   0.0000   0.0000  131.351   15.652  ?   ?   211.782   13.677      ?      ? 
1 1 1  -14   21   54 o   40.627   13.646  -6.5944   8.1026  -9.5571   11.090  -3.2027   11.866   37.865   18.244   43.389   20.299 -5.524178 27.29292 
1 1 1  -14   21   55 o  199.546   10.788  114.797   11.632   0.0000   0.0000  114.797   11.632  ?   ?   199.546   10.788      ?      ? 
1 1 1  -14   21   56 o   58.994   16.131   12.839   7.2423   15.358   11.131   10.989   9.5372   62.225   23.769   55.764   21.813 6.460304 32.26122 
1 1 1  -14   22    3 o  414.204   8.4661  462.030   18.362  452.018   23.140  479.054   30.174  408.385   10.486  420.023   13.295 -11.63773 16.93226 
1 1 1  -14   22    4 o   89.291   16.649   20.469   8.8552   7.9279   11.715   37.185   13.525   64.037   24.404  114.544   22.654 -50.50694 33.29771 
1 1 1  -14   22    5 o  611.554   11.558  1016.95   38.158  989.640   52.594  1047.30   55.445  602.955   16.142  620.153   16.545 -17.19897 23.11549 
1 1 1  -14   22    6 o  377.580   9.0792  387.089   18.521  390.090   26.025  384.009   26.365  379.082   12.705  376.078   12.973 3.003937 18.15840 
1 1 1  -14   22    7 o  258.999   9.0777  182.021   12.666  201.982   18.203  163.288   17.634  272.803   12.348  245.195   13.309 27.60742 18.15543 
1 1 1  -14   22    8 o  378.667   9.1116  387.290   18.583  364.865   25.070  414.640   27.685  366.598   12.655  390.736   13.112 -24.13736 18.22326 
1 1 1  -14   22    9 o   97.671   16.667   24.889   8.8473   14.815   11.241   41.284   14.341   74.602   24.301  120.739   22.817 -46.13778 33.33399 
1 1 1  -14   22   10 o  265.674   9.0910  191.616   13.045  188.851   18.112  194.595   18.803  263.700   12.711  267.648   13.001 -3.947968 18.18202 
1 1 1  -14   22   11 o  226.140   9.6280  138.516   11.743  130.338   16.027  147.995   17.256  218.967   13.545  233.313   13.687 -14.34648 19.25599 
1 1 1  -14   22   12 o  271.716   8.9453  199.839   13.069  193.423   17.510  207.905   19.635  266.872   12.142  276.560   13.139 -9.688416 17.89053 
1 1 1  -14   22   13 o  401.451   9.2199  438.218   19.988  439.414   27.799  436.937   28.760  402.065   12.795  400.837   13.278 1.227905 18.43981 
1 1 1  -14   22   14 o  475.776   8.6376  617.593   21.348  606.081   35.278  624.244   26.815  471.877   13.835  479.676   10.345 -7.798737 17.27525 
1 1 1  -14   22   15 o  266.123   8.2813  196.604   11.502  174.459   18.240  211.221   14.819  253.193   13.332  279.053   9.8274 -25.86015 16.56259 
1 1 1  -14   22   16 o  360.260   9.4666  351.994   18.429   0.0000   0.0000  351.994   18.429  ?   ?   360.260   9.4666      ?      ? 
1 1 1  -14   22   17 o  186.270   12.725   94.531   10.741   96.104   22.540   94.069   12.218  186.553   22.359  185.987   12.157 0.5657349 25.45062 
1 1 1  -14   22   18 o  293.255   11.071  233.459   17.377  245.721   26.747  224.505   22.857  299.689   16.516  286.821   14.748 12.86786 22.14232 
1 1 1  -14   22   19 o  268.488   11.430  201.055   16.240  171.441   24.352  224.775   21.795  249.924   18.032  287.053   14.051 -37.12833 22.85999 
1 1 1  -14   22   20 o  248.749   11.630  172.796   15.176  154.077   23.759  185.698   19.725  236.670   18.578  260.829   13.995 -24.15852 23.25928 
1 1 1  -14   22   21 o  317.607   7.0236  274.100   12.045  273.674   17.374  274.494   16.713  317.333   10.132  317.880   9.7300 -0.5471497 14.04724 
1 1 1  -14   22   22 o  224.694   7.7503  137.439   9.3926  137.245   13.703  137.610   12.900  224.493   11.296  224.895   10.615 -0.4019470 15.50060 
1 1 1  -14   22   23 o  135.331   10.620   50.563   7.7066   44.772   11.116   55.923   10.694  127.669   16.113  142.992   13.840 -15.32321 21.24063 
1 1 1  -14   22   24 o  334.499   6.8818  303.960   12.415  307.172   18.171  301.148   17.002  336.098   10.005  332.901   9.4517 3.197174 13.76352 
1 1 1  -14   22   25 o  327.318   6.7645  291.481   11.953  285.172   17.163  297.424   16.658  323.824   9.8081  330.812   9.3184 -6.988098 13.52896 
1 1 1  -14   22   26 f  429.950   9.7553  502.996   22.665   0.0000   0.0000  502.996   22.665  ?   ?   429.950   9.7553      ?      ? 
1 1 1  -14   22   27 o   87.788   15.267   22.550   7.1968   20.627   10.559   24.218   9.8356   84.157   22.698   91.420   20.425 -7.262688 30.53446 
1 1 1  -14   22   28 o  231.997   9.9219  146.709   12.438   0.0000   0.0000  146.709   12.438  ?   ?   231.997   9.9219      ?      ? 
1 1 1  -14   22   29 o  129.465   11.187   48.153   7.4960   34.602   11.046   59.720   10.205  111.401   18.350  147.529   12.802 -36.12809 22.37427 
1 1 1  -14   22   30 o  135.501   10.028   50.584   7.3408   52.223   10.472   49.000   10.293  137.679   14.076  133.324   14.287 4.355957 20.05657 
1 1 1  -14   22   31 o   44.005   13.994  -4.0354   6.9431  -4.3340   10.290  -3.7857   9.4076   44.857   20.195   43.154   19.379 1.703346 27.98861 
1 1 1  -14   22   32 f  234.472   7.2174  150.547   9.0893  148.355   13.564  152.333   12.245  232.758   10.785  236.187   9.5943 -3.429245 14.43475 
1 1 1  -14   22   33 o  145.176   9.4536   57.540   7.3690   66.641   11.138   50.454   9.8275  155.283   13.273  135.070   13.465 20.21330 18.90715 
1 1 1  -14   22   34 o  193.455   8.1016  104.359   8.3465   88.427   12.170  118.508   11.469  178.965   12.584  207.944   10.207 -28.97878 16.20316 
1 1 1  -14   22   35 o  113.559   12.113   36.578   7.1329   46.104   10.506   28.431   9.7154  128.510   15.129   98.609   18.921 29.90086 24.22583 
1 1 1  -14   22   36 o  192.913   7.9909  103.842   8.2185   88.117   11.929  118.050   11.339  178.459   12.370  207.366   10.119 -28.90648 15.98184 
1 1 1  -14   22   37 o   54.540   14.362  -1.1871   6.9862   17.163   10.775 -14.4958   9.1763   75.650   23.702   33.429   16.224 42.22139 28.72317 
1 1 1  -14   22   38 o  100.269   13.464   30.854   6.9529   20.819   10.332   39.161   9.4000   82.512   22.536  118.026   14.739 -35.51417 26.92760 
1 1 1  -14   22   39 o  202.599   7.6916  114.501   8.3416  102.903   12.221  124.617   11.414  192.521   11.748  212.677   9.9314 -20.15604 15.38314 
1 1 1  -14   22   40 o   86.018   14.045   22.967   7.2863   7.1581   10.580   37.228   10.049   57.935   22.878  114.101   16.299 -56.16597 28.09020 
1 1 1  -14   22   41 o  188.698   8.1214   99.453   8.2312   94.915   12.149  103.303   11.191  184.355   12.195  193.041   10.729 -8.685577 16.24286 
1 1 1  -14   22   42 o  130.870   10.538   49.093   7.3981   44.308   10.714   53.454   10.228  124.241   15.958  137.499   13.766 -13.25862 21.07524 
1 1 1  -14   22   43 o   70.018   15.945   15.292   6.9277   12.342   10.744   17.391   9.0637   65.430   23.660   74.607   21.381 -9.176971 31.89012 
1 1 1  -14   22   44 o  104.135   13.088   33.619   6.9587   26.489   10.558   39.095   9.2529   91.513   21.683  116.757   14.666 -25.24390 26.17693 
1 1 1  -14   22   45 o  153.222   9.0323   67.000   7.3440   63.651   11.327   69.428   9.6460  149.143   14.055  157.300   11.348 -8.156250 18.06469 
1 1 1  -14   22   46 o   45.989   13.987   0.0610   6.6333  -7.0558   10.043   5.5679   8.8344   40.145   18.747   51.833   20.763 -11.68850 27.97389 
1 1 1  -14   22   47 o  129.755   10.779   49.432   7.4605   46.844   11.275   51.447   9.9502  125.831   16.582  133.679   13.775 -7.847603 21.55735 
1 1 1  -14   22   48 o  148.913   9.4844   62.763   7.5168   69.674   11.909   58.187   9.6914  155.063   14.212  142.764   12.563 12.29910 18.96877 
1 1 1  -14   22   49 o   41.869   13.580  -3.9986   6.9265   0.2497   10.535  -7.2328   9.1925   46.627   20.753   37.112   17.519 9.515362 27.15903 
1 1 1  -14   22   50 o   99.740   21.851   39.727   13.151   32.207   17.991   48.356   19.273   89.263   30.763  110.216   31.039 -20.95374 43.70123 
1 1 1  -14   22   51 o  175.410   13.849   85.584   12.206  128.784   23.078   68.806   14.382  200.563   21.294  150.257   17.713 50.30597 27.69796 
1 1 1  -14   22   52 o  114.282   20.898   44.347   12.430   0.0000   0.0000   44.347   12.430  ?   ?   114.282   20.898      ?      ? 
1 1 1  -14   22   53 o  137.590   11.508   61.100   8.2169   48.523   12.323   71.168   11.026  121.174   18.820  154.006   13.249 -32.83199 23.01580 
1 1 1  -14   22   54 o   60.517   15.854   11.255   7.2818   21.080   11.139   3.9235   9.6225   73.651   24.200   47.382   20.488 26.26898 31.70807 
1 1 1  -14   22   55 o   47.385   14.472   3.8514   7.2604  -4.5444   11.120   10.089   9.5853   40.667   19.219   54.103   21.643 -13.43658 28.94490 
1 1 1  -14   23    2 o  280.863   12.093  236.338   16.618  291.667   21.317  150.608   26.534  327.632   12.040  234.094   20.976 93.53828 24.18637 
1 1 1  -14   23    3 o  201.103   13.911  124.700   13.064  147.095   15.981   79.595   22.680  232.593   12.715  169.612   24.746 62.98048 27.82130 
1 1 1  -14   23    4 o  474.272   13.923  612.387   35.682  612.387   35.682   0.0000   0.0000  474.272   13.923  ?   ?       ?      ? 
1 1 1  -14   23    5 o  314.411   7.7494  268.234   12.970  269.144   20.168  267.593   16.937  314.737   11.859  314.084   9.9793 0.6522827 15.49871 
1 1 1  -14   23    7 f  117.766   13.558   39.465   8.1306   52.558   11.595   26.799   11.404  138.793   15.460   96.738   22.276 42.05479 27.11556 
1 1 1  -14   23    8 o  246.670   7.4887  164.896   9.9712  175.928   14.403  154.743   13.818  254.593   10.469  238.747   10.711 15.84595 14.97747 
1 1 1  -14   23   10 o  126.590   12.135   43.902   8.2522   37.988   11.523   50.126   11.823  117.739   18.112  135.442   16.154 -17.70292 24.26972 
1 1 1  -14   23   11 o  328.555   7.1465  293.017   12.687  289.590   17.996  296.404   17.887  326.632   10.196  330.479   10.017 -3.847198 14.29294 
1 1 1  -14   23   12 o  390.423   7.0428  413.830   14.854  405.161   21.091  422.362   20.924  386.340   10.103  394.507   9.8153 -8.167358 14.08561 
1 1 1  -14   23   13 o  283.345   7.1683  217.785   10.940  220.264   16.172  215.693   14.855  284.779   10.509  281.911   9.7515 2.868103 14.33666 
1 1 1  -14   23   14 o  364.117   7.1748  360.337   14.097  338.105   19.919  382.649   19.955  352.799   10.448  375.435   9.8360 -22.63593 14.34966 
1 1 1  -14   23   15 o  196.112   14.229  106.113   14.706  106.059   23.527  106.149   18.840  195.618   22.257  196.607   17.733 -0.9887085 28.45794 
1 1 1  -14   23   16 o  245.582   12.788  172.564   16.250  134.212   24.976  200.721   21.400  220.202   20.990  270.962   14.615 -50.76003 25.57694 
1 1 1  -14   23   17 f  317.918   11.201  278.928   19.094  242.793   27.259  313.739   26.755  297.226   16.972  338.611   14.622 -41.38519 22.40225 
1 1 1  -14   23   18 o  263.845   15.544  190.946   22.162   0.0000   0.0000  190.946   22.162  ?   ?   263.845   15.544      ?      ? 
1 1 1  -14   23   19 o  357.612   9.5519  347.551   18.458   0.0000   0.0000  347.551   18.458  ?   ?   357.612   9.5519      ?      ? 
1 1 1  -14   23   20 o  178.802   8.9309   87.307   8.6139   93.851   12.252   80.910   12.113  185.488   12.224  172.115   13.024 13.37314 17.86173 
1 1 1  -14   23   21 o  225.269   10.640  138.139   12.952   0.0000   0.0000  138.139   12.952  ?   ?   225.269   10.640      ?      ? 
1 1 1  -14   23   22 o   63.754   14.231   4.0824   7.3670 -13.3432   10.136   23.599   10.727   37.348   17.848   90.159   22.172 -52.81041 28.46294 
1 1 1  -14   23   23 o  178.387   8.7210   87.298   8.3733   82.324   12.163   91.780   11.545  173.428   12.978  183.347   11.653 -9.919281 17.44205 
1 1 1  -14   23   24 o  227.172   7.6039  141.143   9.2928  136.677   13.675  144.974   12.667  223.708   11.312  230.636   10.164 -6.928192 15.20773 
1 1 1  -14   23   25 f   72.480   15.665   14.478   7.1358   7.1358   10.227   21.445   9.9613   59.284   22.751   85.676   21.539 -26.39205 31.32976 
1 1 1  -14   23   26 o  158.621   9.3709   68.944   8.0214   73.856   11.659   64.528   11.054  163.991   13.156  153.250   13.348 10.74142 18.74186 
1 1 1  -14   23   27 o  196.462   11.082  105.550   11.764   0.0000   0.0000  105.550   11.764  ?   ?   196.462   11.082      ?      ? 
1 1 1  -14   23   28 o  192.339   8.4017  102.151   8.5810   79.689   11.996  125.687   12.280  170.243   13.040  214.436   10.597 -44.19295 16.80332 
1 1 1  -14   23   29 o  367.154   9.4052  367.838   18.660   0.0000   0.0000  367.838   18.660  ?   ?   367.154   9.4052      ?      ? 
1 1 1  -14   23   30 o   65.158   16.272   11.115   7.1378   10.974   10.397   11.241   9.8166   65.240   23.313   65.076   22.707 0.1642456 32.54415 
1 1 1  -14   23   31 o  104.607   13.429   31.238   7.3726   38.279   10.896   25.292   10.013  116.702   17.278   92.513   20.562 24.18985 26.85804 
1 1 1  -14   23   32 o  117.635   11.638   38.517   7.3272   46.568   10.840   31.743   9.9425  129.105   15.538  106.165   17.331 22.93929 23.27648 
1 1 1  -14   23   33 o  220.253   7.3844  133.333   8.7226  132.067   13.128  134.334   11.672  219.092   11.088  221.415   9.7551 -2.323166 14.76876 
1 1 1  -14   23   34 o   83.014   15.399   20.964   7.0693   17.047   10.355   24.383   9.6743   75.603   23.163   90.424   20.297 -14.82143 30.79732 
1 1 1  -14   23   35 o  174.011   8.6624   84.252   8.0650   82.257   12.204   85.798   10.746  171.831   13.144  176.191   11.287 -4.359467 17.32488 
1 1 1  -14   23   36 o  187.921   8.0364   97.538   8.1201   99.632   12.154   95.850   10.913  189.538   11.867  186.304   10.840 3.233887 16.07273 
1 1 1  -14   23   37 o  267.335   6.9433  196.701   9.9967  198.888   14.785  194.859   13.568  268.505   10.190  266.164   9.4336 2.340607 13.88651 
1 1 1  -14   23   38 o   80.105   13.544   18.877   7.2850   0.0963   10.646   35.417   9.9904   49.059   21.380  111.151   16.633 -62.09205 27.08842 
1 1 1  -14   23   39 o   55.474   15.097   5.7726   6.9034  -1.8292   10.168   12.273   9.4027   45.912   20.414   65.036   22.247 -19.12386 30.19366 
1 1 1  -14   23   40 o   52.414   14.541   2.6869   6.8341  -7.4180   9.7403   12.485   9.5913   39.563   18.470   65.266   22.463 -25.70292 29.08203 
1 1 1  -14   23   41 o   71.270   14.746   15.346   6.9163   4.0449   10.199   24.967   9.4107   52.429   21.802   90.112   19.861 -37.68268 29.49283 
1 1 1  -14   23   42 o   72.834   16.239   16.850   7.1627   15.139   10.831   18.181   9.5486   69.914   23.877   75.754   22.015 -5.840645 32.47725 
1 1 1  -14   23   43 o   65.356   15.695   12.631   7.3243   3.0672   11.381   19.393   9.5692   52.773   22.542   77.938   21.844 -25.16432 31.38935 
1 1 1  -14   23   44 o   50.144   13.731  -6.4260   7.0079   16.422   10.484 -24.8812   9.4223   71.850   23.471   28.438   14.256 43.41276 27.46122 
1 1 1  -14   23   45 o   76.133   15.973   18.856   7.0076   19.906   10.589   18.038   9.3473   77.632   23.346   74.634   21.808 2.998360 31.94687 
1 1 1  -14   23   46 o   58.982   15.642   9.5149   6.7764   12.732   10.067   6.8501   9.1629   64.227   22.942   53.736   21.268 10.49077 31.28373 
1 1 1  -14   23   47 o   49.079   14.950   1.8236   7.2188   7.0316   11.016  -2.0957   9.5566   55.507   22.831   42.651   19.307 12.85668 29.90002 
1 1 1  -14   23   48 o   46.310   15.545  -5.5614   8.6666 -10.2342   19.208  -4.3669   9.7114   52.014   24.777   40.607   18.781 11.40677 31.09038 
1 1 1  -14   23   49 o   60.815   27.681   2.2295   19.981   2.2295   19.981   0.0000   0.0000   60.815   27.681  ?   ?       ?      ? 
1 1 1  -14   23   50 o  165.163   16.828   97.664   13.073   68.896   20.964  115.968   16.722  133.945   29.739  196.380   15.758 -62.43552 33.65604 
1 1 1  -14   23   51 o   38.968   13.479 -12.6776   7.9553  -3.2050   14.740 -16.5706   9.4496   47.165   22.241   30.771   15.236 16.39411 26.95858 
1 1 1  -14   23   52 o  134.224   12.099   58.114   8.4322   48.823   12.967   64.922   11.099  121.476   19.755  146.972   13.976 -25.49632 24.19865 
1 1 1  -14   23   53 o   34.762   12.062 -13.8229   7.5400 -12.7218   11.811 -14.5803   9.7957   37.161   18.118   32.364   15.927 4.797325 24.12336 
1 1 1  -14   24    1 o  263.172   20.463  191.081   29.101  191.081   29.101   0.0000   0.0000  263.172   20.463  ?   ?       ?      ? 
1 1 1  -14   24    2 o  261.154   11.750  202.705   13.489  159.054   27.481  216.559   15.482  239.927   21.196  282.380   10.146 -42.45360 23.49947 
1 1 1  -14   24    3 o  398.009   15.697  433.333   33.759   0.0000   0.0000  433.333   33.759  ?   ?   398.009   15.697      ?      ? 
1 1 1  -14   24    4 o  126.497   17.390   47.184   9.5567   48.596   10.796   42.072   20.545  133.352   14.982  119.641   31.387 13.71120 34.77962 
1 1 1  -14   24    5 o  200.625   12.115  109.574   13.134  109.574   13.134   0.0000   0.0000  200.625   12.115  ?   ?       ?      ? 
1 1 1  -14   24    7 o  343.721   9.8723  320.873   18.336   0.0000   0.0000  320.873   18.336  ?   ?   343.721   9.8723      ?      ? 
1 1 1  -14   24    8 f  264.426   10.324  190.024   14.751   0.0000   0.0000  190.024   14.751  ?   ?   264.426   10.324      ?      ? 
1 1 1  -14   24    9 o  254.740   7.3854  176.583   10.152  166.187   14.368  186.949   14.347  247.197   10.756  262.282   10.123 -15.08472 14.77087 
1 1 1  -14   24   10 o  336.477   9.7087  307.602   17.652   0.0000   0.0000  307.602   17.652  ?   ?   336.477   9.7087      ?      ? 
1 1 1  -14   24   11 o  330.193   10.198  315.006   16.064  261.261   29.536  337.581   19.143  308.001   17.747  352.385   10.053 -44.38425 20.39621 
1 1 1  -14   24   12 o  134.570   21.645   53.849   15.033   52.162   24.521   54.865   19.029  131.750   34.159  137.391   26.592 -5.641922 43.28932 
1 1 1  -14   24   13 o  225.025   15.274  145.880   17.870  110.293   26.667  174.887   24.076  198.143   24.906  251.907   17.687 -53.76361 30.54747 
1 1 1  -14   24   14 o  198.359   15.547  109.437   16.047  110.180   26.531  109.009   20.150  198.082   24.787  198.635   18.773 -0.5538330 31.09372 
1 1 1  -14   24   15 o  199.801   10.682  102.491   10.703   92.082   12.673  128.378   19.986  183.650   12.771  215.952   17.127 -32.30176 21.36406 
1 1 1  -14   24   16 o  209.632   8.3748  120.002   9.4524  107.576   13.286  132.737   13.451  198.538   12.384  220.726   11.277 -22.18811 16.74960 
1 1 1  -14   24   17 o   64.170   16.339   9.3489   7.4161   5.0481   10.347   13.892   10.635   56.695   22.550   71.646   23.651 -14.95113 32.67787 
1 1 1  -14   24   18 o  106.998   14.131   32.543   7.9656   28.719   11.376   36.221   11.158   99.572   21.751  114.424   18.046 -14.85111 28.26189 
1 1 1  -14   24   19 o   83.891   16.194   20.447   7.5629   22.162   10.674   18.718   10.717   87.227   22.499   80.554   23.298 6.672577 32.38784 
1 1 1  -14   24   20 o   78.452   16.445   17.600   7.4569   16.178   10.125   19.285   11.024   75.318   22.869   81.585   23.638 -6.267555 32.88971 
1 1 1  -14   24   21 o   86.390   15.381   21.757   7.3773   29.136   10.522   14.622   10.346  100.407   20.095   72.373   23.291 28.03408 30.76155 
1 1 1  -14   24   22 o  135.094   10.906   50.191   7.8613   40.126   10.736   61.828   11.543  120.337   16.510  149.851   14.256 -29.51437 21.81285 
1 1 1  -14   24   23 o  339.243   9.5170  313.669   17.446   0.0000   0.0000  313.669   17.446  ?   ?   339.243   9.5170      ?      ? 
1 1 1  -14   24   24 o   71.601   15.057   12.369   7.5139   26.142   10.612  -1.4804   10.641   94.501   21.291   48.702   21.296 45.79915 30.11350 
1 1 1  -14   24   25 o   46.942   14.382  -1.7286   6.8728   3.1160   10.016  -6.0390   9.4479   52.833   21.755   41.051   18.817 11.78146 28.76413 
1 1 1  -14   24   26 o  160.902   9.1171   71.939   7.8473   64.396   11.518   78.474   10.721  152.699   13.959  169.105   11.732 -16.40622 18.23413 
1 1 1  -14   24   27 o  150.525   10.028   61.506   8.0133   80.241   12.224   47.389   10.611  170.456   13.271  130.594   15.037 39.86240 20.05574 
1 1 1  -14   24   28 o   73.617   14.665   15.697   6.8863   4.2943   10.213   25.201   9.3247   54.465   22.144   92.769   19.233 -38.30425 29.32972 
1 1 1  -14   24   29 o   84.349   14.837   19.769   7.0278   32.487   10.938   10.828   9.1712  105.269   19.959   63.430   21.958 41.83924 29.67395 
1 1 1  -14   24   30 o   71.376   16.036   13.358   7.3805   22.632   11.080   5.9617   9.8951   86.623   23.205   56.130   22.138 30.49281 32.07113 
1 1 1  -14   24   31 o  142.753   10.301   57.329   7.8789   50.853   11.407   63.237   10.896  134.619   15.681  150.887   13.363 -16.26814 20.60263 
1 1 1  -14   24   32 o   85.390   15.285   21.998   7.0546   23.564   10.277   20.602   9.7010   88.226   21.706   82.553   21.525 5.672272 30.56906 
1 1 1  -14   24   33 o   82.106   15.525   20.751   7.0748   17.463   10.566   23.424   9.5250   76.002   23.416   88.210   20.391 -12.20728 31.05026 
1 1 1  -14   24   34 o  170.219   11.639   80.324   10.706   0.0000   0.0000   80.324   10.706  ?   ?   170.219   11.639      ?      ? 
1 1 1  -14   24   35 o  171.394   8.7005   82.929   7.9463   72.480   11.717   91.828   10.813  160.735   13.490  182.054   10.992 -21.31883 17.40091 
1 1 1  -14   24   36 o   51.943   15.321   3.0789   7.2509  -0.1237   10.473   6.0273   10.049   48.440   21.155   55.447   22.167 -7.006680 30.64231 
1 1 1  -14   24   37 o   56.197   15.465   7.0660   6.7550   7.7733   9.6493   6.3862   9.4595   57.421   22.084   54.973   21.657 2.447845 30.93099 
1 1 1  -14   24   38 o  218.636   11.360  133.287   13.421  133.287   13.421   0.0000   0.0000  218.636   11.360  ?   ?       ?      ? 
1 1 1  -14   24   39 o   53.352   15.562   4.5632   7.2347   6.0146   10.804   3.3834   9.7411   55.984   22.770   50.721   21.218 5.262829 31.12314 
1 1 1  -14   24   40 o  122.193   11.457   43.489   7.5291   41.383   11.000   45.345   10.327  118.907   17.120  125.479   15.231 -6.571541 22.91454 
1 1 1  -14   24   41 o   44.196   14.017  -2.0806   6.9418  -1.5818   9.7931  -2.5843   9.8415   44.653   19.932   43.739   19.715 0.9140930 28.03475 
1 1 1  -14   24   42 o  155.300   12.927   68.421   10.848   0.0000   0.0000   68.421   10.848  ?   ?   155.300   12.927      ?      ? 
1 1 1  -14   24   43 o  186.731   8.6019   99.359   8.6179   93.567   12.713  104.283   11.723  181.050   12.994  192.412   11.275 -11.36183 17.20371 
1 1 1  -14   24   44 o   67.638   16.033   13.711   7.1696   21.063   10.750   7.8203   9.6221   79.467   23.435   55.809   21.888 23.65812 32.06678 
1 1 1  -14   24   45 o   67.270   15.788   14.731   7.0677   8.6028   10.474   19.853   9.5765   57.312   22.722   77.229   21.926 -19.91706 31.57540 
1 1 1  -14   24   46 o   52.675   15.702   5.2106   7.5601   7.4955   11.619   3.5330   9.9558   56.161   23.306   49.189   21.048 6.972267 31.40376 
1 1 1  -14   24   47 o   56.021   17.319   2.0330   10.925 -20.8829   19.924   11.885   13.064   48.567   23.647   63.475   25.309 -14.90797 34.63711 
1 1 1  -14   24   48 o   79.085   31.661   24.414   20.530   24.414   20.530   0.0000   0.0000   79.085   31.661  ?   ?       ?      ? 
1 1 1  -14   24   49 o   57.151   23.587   10.437   11.808   10.437   11.808   0.0000   0.0000   57.151   23.587  ?   ?       ?      ? 
1 1 1  -14   24   50 o   43.573   14.197  -2.2755   7.8030 -13.6013   14.401   2.4321   9.2841   41.796   20.294   45.350   19.859 -3.553936 28.39419 
1 1 1  -14   24   51 o  155.017   10.571   74.514   8.6925   72.363   13.433   76.064   11.401  151.014   16.461  159.020   13.269 -8.005066 21.14285 
1 1 1  -14   25    1 o  113.631   13.201   37.293   7.6336   48.141   10.672   25.926   10.924  132.543   14.900   94.719   21.795 37.82377 26.40169 
1 1 1  -14   25    2 o  143.103   20.842   73.747   11.222   37.973   29.736   79.688   12.118  115.408   39.562  170.797   13.130 -55.38895 41.68427 
1 1 1  -14   25    3 o  291.605   11.652  263.777   15.162  177.410   28.745  297.067   17.846  252.679   21.053  330.530   9.9918 -77.85109 23.30335 
1 1 1  -14   25    4 o  230.449   11.089  139.424   11.902  133.624   13.592  158.491   24.645  221.473   11.357  239.424   19.049 -17.95081 22.17738 
1 1 1  -14   25    5 f  201.758   20.236  112.883   22.062   0.0000   0.0000  112.883   22.062  ?   ?   201.758   20.236      ?      ? 
1 1 1  -14   25    6 o  170.724   9.4551   79.591   8.7186   77.280   12.108   82.079   12.565  168.160   13.325  173.289   13.418 -5.129196 18.91022 
1 1 1  -14   25    7 o   51.512   15.294   0.8835   7.3310   4.5785   10.275  -2.9478   10.463   55.929   22.396   47.095   20.835 8.833721 30.58871 
1 1 1  -14   25    8 o  243.699   11.651  161.390   12.579  166.802   27.325  159.935   14.169  245.035   20.637  242.362   10.819 2.672775 23.30124 
1 1 1  -14   25    9 o  138.957   20.766   60.967   15.558   30.203   23.580   84.685   20.704  103.698   35.231  174.216   21.993 -70.51826 41.53235 
1 1 1  -14   25   10 o  170.769   18.803   84.646   16.616   77.027   25.214   90.495   22.092  161.725   29.955  179.812   22.737 -18.08708 37.60669 
1 1 1  -14   25   11 o  286.380   12.946  227.631   19.341  224.122   31.617  229.730   24.449  283.703   20.624  289.057   15.652 -5.354126 25.89115 
1 1 1  -14   25   12 o  285.571   16.781  224.977   25.895   0.0000   0.0000  224.977   25.895  ?   ?   285.571   16.781      ?      ? 
1 1 1  -14   25   13 o  303.653   9.9541  251.053   16.333   0.0000   0.0000  251.053   16.333  ?   ?   303.653   9.9541      ?      ? 
1 1 1  -14   25   14 o  341.624   7.1532  318.033   13.180  316.939   19.217  319.004   18.111  340.980   10.430  342.268   9.7925 -1.288879 14.30646 
1 1 1  -14   25   15 o  183.009   12.405   91.691   12.268   0.0000   0.0000   91.691   12.268  ?   ?   183.009   12.405      ?      ? 
1 1 1  -14   25   16 o  149.369   14.637   61.443   11.814   0.0000   0.0000   61.443   11.814  ?   ?   149.369   14.637      ?      ? 
1 1 1  -14   25   17 f  156.253   9.8252   67.151   8.2956   67.096   11.694   67.206   11.770  156.197   13.855  156.309   13.935 -0.1115723 19.65045 
1 1 1  -14   25   18 o   90.934   14.415   23.396   7.6141   39.897   11.085   8.6584   10.476  119.854   17.116   62.015   23.200 57.83965 28.83083 
1 1 1  -14   25   19 o   75.798   16.929   16.339   7.8114   18.579   10.839   13.918   11.268   79.920   23.521   71.676   24.354 8.244270 33.85786 
1 1 1  -14   25   20 o  154.121   9.9518   65.964   8.1487   51.850   11.421   80.598   11.630  136.888   15.440  171.354   12.560 -34.46539 19.90359 
1 1 1  -14   25   21 o  173.739   8.9042   82.918   8.3592   82.009   11.806   83.832   11.838  172.772   12.645  174.706   12.539 -1.933807 17.80837 
1 1 1  -14   25   22 o   66.413   16.381   11.587   7.2312   10.496   10.077   12.746   10.383   64.268   22.953   68.559   23.378 -4.291214 32.76262 
1 1 1  -14   25   23 o  204.872   7.9954  115.272   8.8402  108.980   12.526  121.516   12.478  199.204   11.637  210.540   10.968 -11.33624 15.99077 
1 1 1  -14   25   24 o  182.087   12.601   91.440   12.398   91.440   12.398   0.0000   0.0000  182.087   12.601  ?   ?       ?      ? 
1 1 1  -14   25   25 o  123.825   11.336   42.989   7.5581   39.200   10.738   46.710   10.640  118.192   16.813  129.456   15.210 -11.26407 22.67225 
1 1 1  -14   25   26 o   71.798   15.629   14.285   7.1193   6.7703   9.9578   22.142   10.182   57.537   22.349   86.059   21.855 -28.52212 31.25871 
1 1 1  -14   25   27 o  144.364   10.590   57.770   8.0884   75.185   11.996   43.254   10.952  164.621   13.486  124.107   16.331 40.51326 21.17947 
1 1 1  -14   25   28 f  121.852   11.769   42.086   7.6762   35.710   10.855   48.464   10.856  112.167   17.909  131.536   15.274 -19.36932 23.53807 
1 1 1  -14   25   29 o   89.484   15.327   24.131   7.3141   25.460   10.816   23.012   9.9286   91.624   22.101   87.344   21.241 4.279747 30.65313 
1 1 1  -14   25   30 o  210.164   7.9013  120.635   8.9195  137.074   13.515  107.949   11.872  222.674   11.232  197.653   11.116 25.02129 15.80255 
1 1 1  -14   25   31 o  177.810   8.5799   87.505   8.2203   91.697   12.188   84.007   11.134  181.588   12.421  174.033   11.839 7.554871 17.15976 
1 1 1  -14   25   32 o   99.199   13.991   29.425   7.3155   26.481   10.809   31.913   9.9372   92.933   21.885  105.465   17.437 -12.53146 27.98254 
1 1 1  -14   25   33 o  105.456   13.939   33.967   7.6182   25.714   11.168   41.149   10.418   90.856   22.788  120.057   16.059 -29.20058 27.87814 
1 1 1  -14   25   34 o   37.837   12.737 -11.2630   7.1705  -9.3040   10.099 -13.2548   10.183   39.110   18.432   36.564   17.583 2.545357 25.47343 
1 1 1  -14   25   35 o  317.396   9.4257  277.906   16.166   0.0000   0.0000  277.906   16.166  ?   ?   317.396   9.4257      ?      ? 
1 1 1  -14   25   36 o   69.606   15.118   13.979   7.1233   3.0799   10.316   23.913   9.8485   51.508   21.707   87.704   21.049 -36.19587 30.23623 
1 1 1  -14   25   37 o   81.935   13.829   20.533   7.1995   4.4397   10.339   35.684   10.032   53.088   22.003  110.783   16.758 -57.69506 27.65796 
1 1 1  -14   25   38 o   63.744   16.357   11.649   7.3422   14.250   10.355   9.0198   10.412   68.065   23.346   59.424   22.917 8.640972 32.71363 
1 1 1  -14   25   39 o   62.796   14.902   9.1785   7.2591  -4.2560   10.474   21.597   10.070   43.547   19.906   82.045   22.182 -38.49798 29.80457 
1 1 1  -14   25   40 o  108.807   13.404   35.534   7.6847   40.563   11.424   31.379   10.386  116.896   18.086  100.718   19.788 16.17738 26.80803 
1 1 1  -14   25   41 o   58.516   15.940   9.0997   7.1675   7.0130   10.653   10.826   9.6884   56.086   22.682   60.946   22.403 -4.860687 31.88004 
1 1 1  -14   25   42 o  102.396   14.456   33.107   7.7094   35.574   11.274   30.940   10.566  106.084   20.407   98.707   20.481 7.376999 28.91239 
1 1 1  -14   25   43 o   96.853   15.198   30.937   7.7043   28.986   11.676   32.441   10.253   92.504   23.355  101.202   19.456 -8.698982 30.39690 
1 1 1  -14   25   44 o   48.043   14.711   0.2348   7.6097  -9.4895   11.216   8.5296   10.359   39.803   18.953   56.282   22.505 -16.47893 29.42260 
1 1 1  -14   25   45 o   86.503   17.404   29.577   10.779   1.2336   19.092   42.838   13.059   59.102   26.962  113.904   22.013 -54.80242 34.80722 
1 1 1  -14   25   46 o   65.994   19.144   12.812   11.026   6.0541   18.957   16.268   13.555   62.470   27.819   69.519   26.308 -7.048664 38.28866 
1 1 1  -14   25   47 o  138.169   16.746   59.979   12.503   59.979   12.503   0.0000   0.0000  138.169   16.746  ?   ?       ?      ? 
1 1 1  -14   25   48 o   51.966   16.309   4.6901   9.3263   9.0307   11.294  -4.6126   16.535   55.018   22.917   48.913   23.210 6.104633 32.61729 
1 1 1  -14   25   49 o   67.733   17.673   17.549   8.3501   17.502   14.584   17.572   10.185   66.794   26.705   68.673   23.155 -1.879189 35.34561 
1 1 1  -14   25   50 o   54.414   15.470   9.7531   7.4254   2.6886   11.517   14.778   9.7138   47.101   21.270   61.726   22.471 -14.62505 30.94096 
1 1 1  -14   26    1 o  203.239   8.2220  112.869   9.0272  116.663   12.873  109.198   12.662  206.618   11.530  199.860   11.725 6.758087 16.44410 
1 1 1  -14   26    2 o  190.422   8.7079   99.310   8.9537  103.042   12.615   95.522   12.711  194.086   12.028  186.759   12.595 7.326340 17.41579 
1 1 1  -14   26    3 o  259.877   21.448  189.707   30.119  189.707   30.119   0.0000   0.0000  259.877   21.448  ?   ?       ?      ? 
1 1 1  -14   26    4 o  154.773   19.237   77.406   11.337   58.716   27.105   81.369   12.481  137.345   36.061  172.202   13.413 -34.85629 38.47482 
1 1 1  -14   26    5 o   91.063   24.330   19.266   17.152   4.3739   26.648   29.797   22.410   80.628   34.467  101.499   34.347 -20.87099 48.65922 
1 1 1  -14   26    6 o  166.399   20.267   81.350   16.752   81.171   28.727   81.441   20.621  162.938   33.737  169.861   22.466 -6.922653 40.53317 
1 1 1  -14   26    7 o  175.060   18.921   91.322   16.684   79.640   26.554   98.941   21.445  162.490   31.378  187.629   21.151 -25.13890 37.84121 
1 1 1  -14   26    8 f  205.903   12.913  125.972   12.037  134.051   13.972  102.725   23.702  221.370   11.681  190.435   23.033 30.93518 25.82578 
1 1 1  -14   26    9 o  228.688   11.146  142.928   13.774   0.0000   0.0000  142.928   13.774  ?   ?   228.688   11.146      ?      ? 
1 1 1  -14   26   10 o  100.253   14.440   29.084   7.5393   28.338   10.262   29.958   11.113   98.979   19.877  101.528   20.952 -2.548401 28.87996 
1 1 1  -14   26   11 o  313.031   7.1378  267.287   12.073  270.618   17.176  264.035   16.974  314.959   10.092  311.103   10.097 3.855743 14.27563 
1 1 1  -14   26   12 o  236.804   10.749  153.200   13.755   0.0000   0.0000  153.200   13.755  ?   ?   236.804   10.749      ?      ? 
1 1 1  -14   26   13 f  125.159   12.563   44.446   8.0712   56.974   11.658   32.912   11.186  143.628   15.021  106.689   20.141 36.93908 25.12504 
1 1 1  -14   26   14 o  234.673   7.8856  150.578   9.9934  158.235   14.292  143.254   13.979  240.547   10.995  228.798   11.306 11.74844 15.77123 
1 1 1  -14   26   15 o   51.414   15.163   1.7712   7.1391   5.1649   9.7453  -2.1596   10.488   55.247   21.913   47.581   20.964 7.665398 30.32597 
1 1 1  -14   26   16 o  194.545   8.8809  103.992   9.3260  110.273   13.268   97.858   13.111  200.430   12.250  188.659   12.861 11.77086 17.76178 
1 1 1  -14   26   17 o   80.049   16.283   18.831   7.4188   19.195   10.234   18.428   10.770   80.762   22.575   79.335   23.473 1.427574 32.56693 
1 1 1  -14   26   18 o  300.051   10.051  246.160   16.296   0.0000   0.0000  246.160   16.296  ?   ?   300.051   10.051      ?      ? 
1 1 1  -14   26   19 o  120.949   12.703   41.165   8.2960   39.722   11.800   42.577   11.666  118.737   18.390  123.161   17.530 -4.424248 25.40655 
1 1 1  -14   26   20 o  201.648   11.375  111.748   12.395   0.0000   0.0000  111.748   12.395  ?   ?   201.648   11.375      ?      ? 
1 1 1  -14   26   21 o  121.742   12.153   41.848   7.9547   38.904   11.547   44.507   10.974  117.360   18.207  126.125   16.102 -8.765053 24.30632 
1 1 1  -14   26   22 o  112.066   13.119   36.087   7.6912   30.138   10.696   42.456   11.067  101.163   20.273  122.969   16.655 -21.80641 26.23738 
1 1 1  -14   26   23 o  141.135   10.350   55.506   7.8717   50.350   11.012   60.894   11.256  134.270   15.177  147.999   14.075 -13.72894 20.69934 
1 1 1  -14   26   24 o   46.086   14.364  -2.2164   7.0766  -5.9338   10.146   1.3048   9.8749   42.564   19.507   49.608   21.088 -7.043282 28.72718 
1 1 1  -14   26   25 o   36.823   12.439 -12.2995   6.9769 -14.9545   9.9791  -9.7606   9.7582   35.335   17.094   38.312   18.075 -2.977436 24.87769 
1 1 1  -14   26   26 o  107.434   13.605   34.581   7.5128   23.270   10.653   45.772   10.597   87.361   22.447  127.506   15.380 -40.14561 27.20986 
1 1 1  -14   26   27 o  278.128   7.2902  213.317   10.933  209.757   15.910  216.502   15.049  275.732   10.678  280.524   9.9278 -4.792450 14.58042 
1 1 1  -14   26   28 o   85.601   16.291   22.564   7.7301   24.955   10.936   20.177   10.928   90.180   22.512   81.022   23.553 9.157967 32.58113 
1 1 1  -14   26   29 o  307.744   9.6064  260.716   15.975   0.0000   0.0000  260.716   15.975  ?   ?   307.744   9.6064      ?      ? 
1 1 1  -14   26   30 o   49.559   14.656   0.0145   7.1711  -9.0451   10.288   8.5750   10.001   39.809   18.713   59.309   22.560 -19.50002 29.31113 
1 1 1  -14   26   31 o  137.748   10.721   53.578   7.9565   58.670   11.801   49.334   10.774  143.697   15.197  131.798   15.128 11.89932 21.44296 
1 1 1  -14   26   32 o  130.232   11.071   47.932   7.7501   54.048   11.687   43.132   10.354  137.538   15.725  122.925   15.588 14.61336 22.14197 
1 1 1  -14   26   33 o   59.152   15.461   8.1967   7.0937   0.4014   10.471   14.808   9.6436   48.706   21.216   69.598   22.496 -20.89172 30.92197 
1 1 1  -14   26   34 o   64.257   15.457   10.773   7.0712   19.741   10.146   2.3004   9.8609   78.946   22.620   49.568   21.072 29.37851 30.91488 
1 1 1  -14   26   35 o  141.852   10.263   57.182   7.8287   65.547   11.566   50.108   10.636  151.573   14.121  132.132   14.896 19.44119 20.52530 
1 1 1  -14   26   36 o   48.794   14.749   1.8295   6.9132   4.3422   10.172  -0.3275   9.4245   52.356   21.773   45.232   19.903 7.123825 29.49895 
1 1 1  -14   26   37 f  112.112   12.979   37.201   7.5066   49.623   11.291   27.362   10.049  130.649   15.993   93.575   20.445 37.07406 25.95741 
1 1 1  -14   26   38 o  126.484   11.366   46.535   7.7539   50.469   11.327   43.066   10.637  131.581   15.931  121.388   16.216 10.19325 22.73228 
1 1 1  -14   26   39 o   75.709   16.429   18.914   7.3678   19.936   10.540   17.938   10.303   77.562   23.284   73.857   23.184 3.705414 32.85781 
1 1 1  -14   26   40 o   49.987   15.098   2.0685   7.4453  -3.1825   10.688   7.0194   10.378   44.455   20.239   55.519   22.410 -11.06370 30.19626 
1 1 1  -14   26   41 f   58.606   16.394   9.4053   7.6944   8.6353   11.385   10.053   10.440   58.016   23.453   59.196   22.914 -1.180538 32.78859 
1 1 1  -14   26   42 o  136.088   11.495   56.524   8.3144   51.191   12.469   60.793   11.157  128.684   17.931  143.491   14.389 -14.80638 22.99089 
1 1 1  -14   26   43 o   70.781   20.127   13.390   10.877   28.423   20.322   7.3536   12.877   83.706   32.083   57.856   24.310 25.84918 40.25333 
1 1 1  -14   26   44 o   64.437   19.502   9.7516   11.406   14.077   20.186   7.7230   13.825   69.676   29.897   59.198   25.048 10.47788 39.00315 
1 1 1  -14   26   45 o   49.815   15.842   1.2489   8.7524  -2.6178   11.283   7.0923   13.870   43.900   20.282   55.731   24.343 -11.83187 31.68485 
1 1 1  -14   26   46 o   67.271   18.664   17.950   9.4949   15.886   11.606   22.126   16.510   64.225   24.334   70.316   28.307 -6.091484 37.32891 
1 1 1  -14   26   47 o   64.403   17.419   9.2814   8.9200  -1.8683   10.974   30.991   15.313   43.913   20.185   84.893   28.394 -40.97996 34.83728 
1 1 1  -14   26   48 o   80.274   17.826   26.077   8.2462   31.577   14.478   23.436   10.033   82.807   27.607   77.741   22.558 5.066521 35.65173 
1 1 1  -14   27    1 f   83.020   24.376   10.328   17.484   10.917   28.862   9.9865   21.975   87.164   36.498   78.876   32.321 8.287354 48.75180 
1 1 1  -14   27    2 o  147.745   23.689   69.295   18.380   57.523   30.301   76.149   23.119  133.354   39.350  162.137   26.387 -28.78275 47.37837 
1 1 1  -14   27    3 o   75.110   22.625   4.5593   16.076  -2.7613   25.905   9.1441   20.501   73.927   32.741   76.292   31.235 -2.364960 45.25024 
1 1 1  -14   27    4 f  232.440   14.937  153.579   18.433  147.838   28.510  157.703   24.162  227.634   23.178  237.246   18.847 -9.611847 29.87371 
1 1 1  -14   27    5 o   79.370   21.894   8.4553   10.567   28.694   26.295   4.5573   11.540  101.004   36.940   57.737   23.513 43.26630 43.78838 
1 1 1  -14   27    6 o  183.129   13.575   95.977   11.141   97.586   12.707   90.631   23.163  188.501   12.475  177.758   24.114 10.74318 27.15003 
1 1 1  -14   27    7 o   64.559   19.208  -0.6896   8.6314  -4.1068   9.3947   17.813   21.861   42.776   19.273   86.343   33.231 -43.56672 38.41601 
1 1 1  -14   27    8 o  140.973   10.579   55.066   8.0464   56.256   11.152   53.774   11.621  142.673   14.465  139.273   15.441 3.400177 21.15849 
1 1 1  -14   27   10 o  209.777   11.342  120.659   12.857   0.0000   0.0000  120.659   12.857  ?   ?   209.777   11.342      ?      ? 
1 1 1  -14   27   11 o  179.783   13.009   89.094   12.638   0.0000   0.0000   89.094   12.638  ?   ?   179.783   13.009      ?      ? 
1 1 1  -14   27   12 o  252.367   10.242  174.320   13.968   0.0000   0.0000  174.320   13.968  ?   ?   252.367   10.242      ?      ? 
1 1 1  -14   27   13 o   98.861   14.972   28.916   7.9273   21.602   11.396   35.774   11.035   85.011   23.842  112.712   18.118 -27.70052 29.94484 
1 1 1  -14   27   14 o  192.282   11.982  101.795   12.450   0.0000   0.0000  101.795   12.450  ?   ?   192.282   11.982      ?      ? 
1 1 1  -14   27   15 o  225.716   11.290  140.033   13.770   0.0000   0.0000  140.033   13.770  ?   ?   225.716   11.290      ?      ? 
1 1 1  -14   27   16 o   74.805   15.924   15.073   7.8438   3.7582   11.036   26.623   11.150   55.253   22.803   94.358   22.233 -39.10468 31.84818 
1 1 1  -14   27   19 o  145.063   10.513   58.612   8.2282   56.431   11.262   61.110   12.051  142.242   14.652  147.884   15.081 -5.642380 21.02628 
1 1 1  -14   27   20 o   50.795   15.241   1.5277   7.2890   2.8050   10.280   0.2363   10.337   52.304   21.831   49.286   21.273 3.017979 30.48213 
1 1 1  -14   27   21 o   91.731   14.972   25.561   7.7381   14.100   11.127   36.294   10.768   70.476   24.199  112.986   17.638 -42.50992 29.94422 
1 1 1  -14   27   22 o   65.824   16.568   11.639   7.4707   14.190   10.697   9.2097   10.439   70.153   23.730   61.496   23.128 8.657803 33.13625 
1 1 1  -14   27   23 o  177.813   8.8945   87.681   8.5326   92.342   12.506   83.623   11.671  182.170   12.705  173.456   12.452 8.714233 17.78909 
1 1 1  -14   27   24 o   54.617   15.715   4.3865   7.4240   0.5551   10.698   7.9459   10.311   50.051   21.623   59.183   22.810 -9.131714 31.43012 
1 1 1  -14   27   25 o  187.722   8.6040   97.784   8.7175  103.118   12.701   93.034   11.987  192.533   12.208  182.911   12.128 9.622086 17.20798 
1 1 1  -14   27   26 o  195.482   8.4847  106.331   8.9587  109.303   12.903  103.565   12.448  198.090   12.054  192.874   11.944 5.216217 16.96941 
1 1 1  -14   27   27 o   63.691   14.285   7.2956   7.2541   23.852   10.232  -9.4345   10.286   87.891   21.679   39.490   18.608 48.40077 28.57031 
1 1 1  -14   27   28 o   47.069   14.719  -1.4398   7.3813   0.3599   10.704  -3.0715   10.192   49.417   21.488   44.722   20.119 4.695030 29.43708 
1 1 1  -14   27   29 o   71.651   16.816   15.568   7.5931   16.618   11.059   14.632   10.443   73.529   24.111   69.774   23.448 3.755409 33.63236 
1 1 1  -14   27   30 o   63.063   15.804   10.410   7.2231   3.3134   10.329   17.202   10.105   51.880   21.784   74.246   22.903 -22.36662 31.60854 
1 1 1  -14   27   31 o   73.518   16.539   16.976   7.4995   13.656   10.903   19.958   10.332   67.737   23.909   79.298   22.858 -11.56096 33.07775 
1 1 1  -14   27   32 f  145.222   10.388   59.809   8.1113   67.339   12.205   53.851   10.856  153.305   14.733  137.139   14.649 16.16635 20.77601 
1 1 1  -14   27   33 o   70.493   16.322   15.012   7.3662   21.228   10.902   9.7904   9.9919   80.858   23.531   60.127   22.625 20.73149 32.64348 
1 1 1  -14   27   34 o   91.913   15.028   26.872   7.3455   23.044   10.543   30.483   10.240   84.536   22.631   99.291   19.780 -14.75504 30.05673 
1 1 1  -14   27   35 o   81.016   16.454   21.344   7.5838   20.887   10.950   21.766   10.513   80.034   23.666   81.997   22.866 -1.963326 32.90832 
1 1 1  -14   27   36 o   37.409   12.608 -11.6422   7.2364 -19.0078   10.626  -5.2726   9.8818   33.777   16.616   41.041   18.969 -7.264389 25.21675 
1 1 1  -14   27   37 o   45.976   14.521  -1.2085   7.3722   0.7411   10.660  -2.9957   10.207   48.295   21.211   43.657   19.838 4.638153 29.04219 
1 1 1  -14   27   38 o   64.068   16.670   12.557   7.5995   11.163   10.581   14.042   10.922   61.657   23.265   66.479   23.880 -4.821510 33.33923 
1 1 1  -14   27   39 o  103.805   14.760   35.390   7.9803   34.040   11.578   36.612   11.015  100.986   21.851  106.623   19.848 -5.637535 29.51989 
1 1 1  -14   27   40 o   53.366   15.801   2.2529   8.0768   14.201   12.449  -6.4321   10.614   65.870   25.143   40.863   19.143 25.00746 31.60141 
1 1 1  -14   27   41 o   52.801   17.336  -4.7178   11.967 -24.3243   22.551   2.9685   14.120   50.648   24.768   54.953   24.263 -4.305229 34.67145 
1 1 1  -14   27   42 o   68.564   19.257   14.494   12.022  -5.5090   20.976   24.279   14.671   56.721   26.681   80.407   27.776 -23.68584 38.51427 
1 1 1  -14   27   43 o   45.116   14.699  -2.7483   8.6478   3.8520   11.162 -12.6577   13.677   49.255   21.667   40.977   19.868 8.278725 29.39780 
1 1 1  -14   27   44 o   39.095   13.031  -6.4005   7.3081 -12.7622   10.979  -1.3391   9.7929   36.145   17.589   42.045   19.231 -5.900085 26.06116 
1 1 1  -14   27   45 o   48.260   14.746   0.9802   7.6626  -9.1959   10.810   11.259   10.864   38.145   18.283   58.374   23.141 -20.22915 29.49229 
1 1 1  -14   27   46 o   80.688   19.223   25.112   9.4603   16.163   11.261   46.577   17.440   63.251   23.969   98.124   30.059 -34.87242 38.44506 
1 1 1  -14   28    1 o  113.656   17.349   36.341   10.655   0.0000   0.0000   36.341   10.655  ?   ?   113.656   17.349      ?      ? 
1 1 1  -14   28    2 o   89.107   14.367   24.257   7.0700   32.305   9.4757   14.151   10.618  107.402   16.327   70.811   23.644 36.59093 28.73379 
1 1 1  -14   28    3 o  103.117   14.109   31.727   7.5804   38.766   10.342   23.555   11.144  117.667   16.265   88.566   23.059 29.10102 28.21803 
1 1 1  -14   28    4 o  127.068   10.968   45.063   7.5218   44.974   10.383   45.162   10.912  127.035   15.125  127.101   15.888 -0.6591034E-01 21.93597 
1 1 1  -14   28    5 o  140.553   19.137   53.836   10.639   69.324   27.105   51.015   11.568  146.017   34.838  135.088   15.847 10.92952 38.27318 
1 1 1  -14   28    6 o  147.971   18.923   68.590   11.141   61.351   26.022   70.215   12.328  136.992   35.019  158.949   14.353 -21.95734 37.84575 
1 1 1  -14   28    7 o  117.827   17.490   51.261   9.6785   60.424   11.090   21.982   19.825  147.563   13.908   88.091   32.097 59.47217 34.98032 
1 1 1  -14   28    8 o  103.603   18.772   32.042   9.4011   31.472   10.720   33.941   19.563  103.583   19.875  103.622   31.851 -0.3862000E-01 37.54333 
1 1 1  -14   28    9 o   60.681   16.116   8.4280   7.1488   6.8190   9.6287   10.404   10.671   57.053   22.028   64.309   23.531 -7.255917 32.23218 
1 1 1  -14   28   11 o   93.972   15.576   26.534   7.8612   33.012   11.201   20.244   11.036  105.868   20.318   82.075   23.614 23.79269 31.15194 
1 1 1  -14   28   12 o  146.620   10.410   59.969   8.2464   59.944   11.560   59.995   11.767  146.630   14.589  146.611   14.854 0.1943970E-01 20.82001 
1 1 1  -14   28   13 o  258.173   10.621  183.214   14.817   0.0000   0.0000  183.214   14.817  ?   ?   258.173   10.621      ?      ? 
1 1 1  -14   28   14 o  246.344   10.719  166.961   14.268   0.0000   0.0000  166.961   14.268  ?   ?   246.344   10.719      ?      ? 
1 1 1  -14   28   15 o  195.207   8.4250  105.608   8.8655  109.899   12.295  100.962   12.796  199.535   11.403  190.880   12.405 8.655609 16.84997 
1 1 1  -14   28   16 o   94.928   16.350   27.683   8.3455   31.074   11.615   24.064   11.999  101.478   21.830   88.378   24.347 13.10030 32.70062 
1 1 1  -14   28   18 o  234.366   11.311  151.921   14.325   0.0000   0.0000  151.921   14.325  ?   ?   234.366   11.311      ?      ? 
1 1 1  -14   28   19 o  198.900   8.4275  109.670   9.0544  105.872   12.630  113.685   12.987  195.339   11.966  202.460   11.871 -7.121597 16.85498 
1 1 1  -14   28   20 o  289.098   7.3073  229.530   11.385  243.672   16.866  217.690   15.432  297.148   10.504  281.049   10.161 16.09906 14.61456 
1 1 1  -14   28   21 o   97.119   14.575   28.717   7.6058   38.092   10.721   19.219   10.792  115.297   17.208   78.942   23.529 36.35543 29.15047 
1 1 1  -14   28   23 o  135.932   11.285   52.770   8.2668   52.376   12.103   53.116   11.319  135.172   16.570  136.693   15.324 -1.521637 22.56903 
1 1 1  -14   28   24 o   70.038   16.366   14.204   7.6206   20.782   10.635   7.2620   10.925   81.573   23.087   58.503   23.202 23.06963 32.73145 
1 1 1  -14   28   25 o   79.634   16.102   19.413   7.6021   12.193   10.541   27.238   10.974   65.617   23.472   93.651   22.050 -28.03422 32.20438 
1 1 1  -14   28   26 o   50.666   15.285   0.6429   7.6898  -5.7442   10.911   6.9472   10.840   43.715   20.106   57.616   23.027 -13.90047 30.56986 
1 1 1  -14   28   27 o   53.059   15.621   3.5573   7.5488   7.4120   10.673  -0.3007   10.678   57.852   22.937   48.267   21.213 9.585072 31.24233 
1 1 1  -14   28   28 o  211.893   11.638  125.740   13.326   0.0000   0.0000  125.740   13.326  ?   ?   211.893   11.638      ?      ? 
1 1 1  -14   28   29 o   80.111   16.927   20.764   7.9128   18.981   11.215   22.531   11.165   76.800   24.201   83.422   23.672 -6.621460 33.85303 
1 1 1  -14   28   30 o  151.441   10.384   65.866   8.4930   68.931   12.206   62.989   11.825  154.918   14.581  147.964   14.790 6.954712 20.76862 
1 1 1  -14   28   31 o   61.500   15.989   8.9271   7.5727   17.829   10.934   0.7221   10.498   74.429   23.943   48.570   21.197 25.85923 31.97803 
1 1 1  -14   28   32 o   50.058   14.952   0.5945   7.4957  -8.2043   10.728   8.9883   10.478   40.843   19.170   59.272   22.952 -18.42865 29.90450 
1 1 1  -14   28   33 o   37.643   12.715 -13.2600   7.4800 -22.3406   10.734  -4.6878   10.429   32.489   16.113   42.797   19.674 -10.30798 25.43007 
1 1 1  -14   28   34 o   75.185   16.641   18.672   7.6400   14.699   10.789   22.668   10.821   67.871   23.798   82.500   23.266 -14.62949 33.28104 
1 1 1  -14   28   35 o   67.222   16.182   12.893   7.8059   23.339   11.231   3.1305   10.857   83.237   23.783   51.207   21.948 32.03054 32.36308 
1 1 1  -14   28   36 o   65.800   16.767   14.152   7.6311   13.303   10.958   14.952   10.634   64.467   23.804   67.134   23.621 -2.667419 33.53459 
1 1 1  -14   28   37 o   51.385   15.310   3.2470   7.7398   10.634   10.682  -4.9155   11.229   59.619   23.151   43.151   20.041 16.46765 30.61977 
1 1 1  -14   28   38 o   47.612   16.587 -16.0366   10.274  -5.2050   23.920 -18.4872   11.377   60.000   28.305   35.224   17.301 24.77602 33.17319 
1 1 1  -14   28   39 o  112.936   21.147   44.439   13.231   73.311   22.251   28.649   16.456  139.533   30.374   86.338   29.431 53.19439 42.29361 
1 1 1  -14   28   40 o   66.446   19.109   13.072   12.459 -12.6667   22.653   24.234   14.918   54.088   26.064   78.804   27.951 -24.71652 38.21716 
1 1 1  -14   28   41 o   48.699   15.175   2.5107   8.2325  -6.2513   12.128   9.9981   11.211   41.747   19.829   55.651   22.977 -13.90428 30.35025 
1 1 1  -14   28   42 o   46.806   14.734   0.7540   7.8230  -6.2750   11.671   6.4890   10.542   41.706   19.704   51.905   21.913 -10.19950 29.46871 
1 1 1  -14   28   43 o   47.834   14.663  -0.8795   7.8152   12.915   11.303 -13.5166   10.818   60.264   23.695   35.405   17.279 24.85937 29.32575 
1 1 1  -14   28   44 o   35.824   12.376 -13.0035   7.9511 -17.3388   11.801  -9.3993   10.760   34.719   17.160   36.928   17.837 -2.209122 24.75154 
1 1 1  -14   29    1 o   39.840   12.782  -6.7188   6.4784   1.0909   8.3513 -18.5197   10.266   45.685   19.406   33.994   16.642 11.69155 25.56495 
1 1 1  -14   29    2 o  124.775   11.655   43.994   7.8520   43.212   10.852   44.854   11.376  123.695   16.235  125.856   16.727 -2.161827 23.31012 
1 1 1  -14   29    3 o   74.824   15.482   16.912   6.8180   20.728   9.2613   12.397   10.074   83.026   20.711   66.623   23.016 16.40369 30.96320 
1 1 1  -14   29    4 o  119.090   12.061   40.330   7.7275   41.251   10.536   39.257   11.369  120.868   16.131  117.313   17.934 3.554352 24.12106 
1 1 1  -14   29    5 o   96.068   15.013   27.791   7.6336   21.700   10.618   34.307   10.983   84.374   22.763  107.762   19.582 -23.38867 30.02667 
1 1 1  -14   29    6 o  122.698   20.632   45.634   10.761   50.383   26.931   44.732   11.739  120.009   37.451  125.387   17.326 -5.377586 41.26482 
1 1 1  -14   29    7 o   59.157   18.997   0.3770   9.9346 -22.1532   29.160   3.3354   10.567   65.043   30.852   53.272   22.176 11.77108 37.99494 
1 1 1  -14   29    8 f  132.182   17.770   60.096   9.9931   65.577   11.356   41.284   21.039  153.202   13.717  111.162   32.786 42.04027 35.53967 
1 1 1  -14   29    9 o  153.231   16.749   79.088   10.778   87.616   12.510   54.527   21.231  177.328   13.056  129.134   30.849 48.19388 33.49760 
1 1 1  -14   29   10 o   78.857   15.864   18.860   7.6578   27.491   10.533   9.1836   11.153   95.458   20.991   62.257   23.790 33.20113 31.72718 
1 1 1  -14   29   11 o   57.124   14.852   3.2211   7.4827   16.969   10.271 -12.3285   10.923   74.996   23.083   39.253   18.694 35.74318 29.70403 
1 1 1  -14   29   12 o   81.710   16.041   20.246   7.3432   17.572   9.9746   23.410   10.850   76.111   22.606   87.309   22.764 -11.19744 32.08177 
1 1 1  -14   29   13 o  128.494   11.714   47.023   8.0901   41.320   11.346   52.922   11.539  120.197   17.469  136.792   15.610 -16.59545 23.42721 
1 1 1  -14   29   14 o   70.804   16.253   14.982   7.1560   16.735   9.4835   12.663   10.905   74.290   22.038   67.318   23.895 6.972000 32.50603 
1 1 1  -14   29   15 o   79.180   15.459   18.737   7.3634   9.3310   10.275   28.666   10.557   61.073   22.951   97.287   20.717 -36.21408 30.91834 
1 1 1  -14   29   16 o  163.370   9.6301   74.943   8.5003   76.367   12.133   73.571   11.913  164.894   13.617  161.846   13.621 3.047852 19.26017 
1 1 1  -14   29   17 o  225.089   10.979  140.509   13.354   0.0000   0.0000  140.509   13.354  ?   ?   225.089   10.979      ?      ? 
1 1 1  -14   29   18 o   97.747   14.951   29.508   7.6596   32.585   10.466   25.958   11.241  104.293   19.280   91.200   22.855 13.09314 29.90108 
1 1 1  -14   29   19 f   90.172   15.616   25.489   7.5867   28.724   10.323   21.690   11.188   97.244   20.300   83.100   23.735 14.14388 31.23235 
1 1 1  -14   29   20 o   76.353   14.839   17.666   7.4950   30.093   10.124   2.5967   11.149   99.939   19.447   52.767   22.419 47.17173 29.67814 
1 1 1  -14   29   21 o  115.870   13.069   40.165   7.8522   45.226   10.753   34.382   11.493  125.668   15.835  106.072   20.795 19.59631 26.13787 
1 1 1  -14   29   22 o   94.439   15.633   28.162   7.8404   30.706   10.624   25.119   11.619  100.162   20.324   88.717   23.760 11.44539 31.26656 
1 1 1  -14   29   23 o  150.118   10.843   64.661   8.7815   60.492   12.393   68.864   12.445  144.976   15.820  155.260   14.833 -10.28358 21.68617 
1 1 1  -14   29   24 o  123.703   13.375   46.153   8.4071   32.414   11.655   61.055   12.139  101.686   21.861  145.720   15.416 -44.03406 26.75003 
1 1 1  -14   29   25 f   85.727   16.258   23.615   8.0616   32.470   11.434   14.861   11.368  101.803   21.461   69.651   24.428 32.15192 32.51622 
1 1 1  -14   29   26 o  128.965   12.067   48.868   8.3793   47.495   12.247   50.076   11.490  126.762   17.879  131.167   16.210 -4.404533 24.13390 
1 1 1  -14   29   27 o   62.505   16.587   10.746   7.6663   7.9692   10.918   13.448   10.767   58.328   23.175   66.682   23.736 -8.354626 33.17309 
1 1 1  -14   29   28 o   66.111   16.968   12.965   7.8355   13.963   11.066   11.961   11.096   67.725   24.068   64.497   23.926 3.227745 33.93679 
1 1 1  -14   29   29 o   97.347   15.834   30.390   8.1968   35.991   11.836   25.228   11.362  106.917   21.236   87.777   23.492 19.14047 31.66711 
1 1 1  -14   29   30 o   45.908   14.575  -2.5271   7.6303   2.1040   10.967  -6.8714   10.623   50.480   21.851   41.336   19.295 9.143757 29.15041 
1 1 1  -14   29   31 o   61.625   16.746   10.607   7.8605   12.443   11.333   8.9058   10.912   64.419   24.124   58.832   23.233 5.586918 33.49292 
1 1 1  -14   29   32 f  103.717   14.774   34.428   7.9916   32.267   11.351   36.552   11.254   99.801   21.668  107.632   20.088 -7.831047 29.54754 
1 1 1  -14   29   33 o   53.944   15.784   5.3860   7.7131   10.640   11.034   0.3650   10.786   60.445   23.512   47.443   21.063 13.00292 31.56719 
1 1 1  -14   29   34 f  171.264   10.032   86.146   9.2573   95.581   13.467   77.695   12.746  180.502   13.807  162.026   14.558 18.47591 20.06449 
1 1 1  -14   29   35 o   40.283   13.524  -9.2957   7.9614  -7.6403   11.397 -10.8734   11.126   41.654   19.616   38.911   18.624 2.742683 27.04823 
1 1 1  -14   29   36 o  100.093   21.492   34.913   13.081   62.500   21.837   19.475   16.336  125.962   32.015   74.225   28.682 51.73758 42.98399 
1 1 1  -14   29   37 o   45.442   15.631 -19.4280   12.367 -39.3468   21.414  -9.4617   15.148   43.992   21.969   46.893   22.241 -2.900417 31.26201 
1 1 1  -14   29   38 o   67.850   20.332   18.457   12.406   22.883   21.514   16.252   15.185   70.678   30.598   65.022   26.782 5.655319 40.66364 
1 1 1  -14   29   39 o   50.840   15.732   5.1571   8.2882   2.4443   11.977   7.6499   11.481   48.427   21.796   53.253   22.691 -4.825150 31.46322 
1 1 1  -14   29   40 o  103.031   15.406   37.552   8.5198   48.139   12.053   26.980   12.045  122.242   18.247   83.819   24.829 38.42303 30.81291 
1 1 1  -14   29   41 o   67.823   14.732   12.246   8.3356 -10.5961   11.714   35.678   11.864   38.255   18.510   97.391   22.925 -59.13525 29.46472 
1 1 1  -14   30    1 o  152.637   9.8611   67.170   7.9083   79.046   10.753   53.181   11.671  168.563   11.806  136.711   15.799 31.85133 19.72229 
1 1 1  -14   30    2 f  119.197   12.754   42.123   7.8522   47.405   10.663   35.865   11.606  129.294   15.262  109.099   20.438 20.19486 25.50797 
1 1 1  -14   30    3 o   73.692   16.136   16.555   7.3841   21.677   10.047   10.539   10.889   83.832   21.928   63.551   23.677 20.28128 32.27119 
1 1 1  -14   30    4 o  123.445   11.343   42.888   7.4750   40.053   9.7220   46.988   11.691  118.873   15.135  128.017   16.900 -9.143776 22.68651 
1 1 1  -14   30    5 o   84.994   15.680   22.080   7.1863   20.719   9.3371   24.059   11.256   82.243   20.951   87.745   23.334 -5.501595 31.35994 
1 1 1  -14   30    6 o  207.998   11.349  120.162   12.756  120.162   12.756   0.0000   0.0000  207.998   11.349  ?   ?       ?      ? 
1 1 1  -14   30    7 o  135.502   21.089   54.524   11.130   69.324   29.965   52.155   11.988  136.000   38.845  135.004   16.433 0.9955750 42.17751 
1 1 1  -14   30    8 o  166.952   17.834   87.363   11.423   83.964   27.199   88.091   12.586  156.684   33.159  177.221   13.143 -20.53749 35.66890 
1 1 1  -14   30    9 o   56.918   17.610   2.0286   9.5283   4.9722   10.912  -7.4212   19.551   55.407   22.748   58.430   26.889 -3.022854 35.22054 
1 1 1  -14   30   10 o  170.694   24.929   89.617   22.993   0.0000   0.0000   89.617   22.993  ?   ?   170.694   24.929      ?      ? 
1 1 1  -14   30   11 o   79.244   15.374   19.882   7.3996   28.329   9.8958   9.1688   11.144   96.926   19.568   61.562   23.718 35.36402 30.74821 
1 1 1  -14   30   12 o   74.784   16.836   17.224   7.6620   17.722   10.810   16.721   10.861   75.702   23.745   73.866   23.873 1.835960 33.67136 
1 1 1  -14   30   13 o  126.946   11.381   46.188   7.7813   47.149   10.665   45.093   11.379  128.687   15.336  125.204   16.819 3.482582 22.76143 
1 1 1  -14   30   14 f  101.015   14.718   30.861   7.9151   23.300   10.940   39.166   11.466   86.086   23.056  115.944   18.301 -29.85870 29.43625 
1 1 1  -14   30   15 o   64.703   16.693   11.468   7.4821   10.381   9.7057   13.061   11.747   61.646   22.458   67.759   24.704 -6.113140 33.38650 
1 1 1  -14   30   16 o   77.102   17.084   18.455   7.9317   15.383   10.698   22.206   11.820   70.951   23.732   83.253   24.580 -12.30202 34.16726 
1 1 1  -14   30   17 o   66.317   16.707   12.391   7.6931   8.2514   10.674   16.866   11.097   59.094   23.087   73.540   24.154 -14.44671 33.41333 
1 1 1  -14   30   18 o  256.762   10.819  183.625   15.011   0.0000   0.0000  183.625   15.011  ?   ?   256.762   10.819      ?      ? 
1 1 1  -14   30   19 o  166.276   9.9720   78.704   8.9553   82.158   12.782   75.373   12.551  169.970   13.916  162.582   14.286 7.388168 19.94401 
1 1 1  -14   30   20 o  118.632   13.356   42.347   8.3338   39.720   12.059   44.748   11.530  113.625   20.390  123.639   17.258 -10.01398 26.71289 
1 1 1  -14   30   21 o   44.562   14.339  -3.9703   7.6111  -1.7973   10.588  -6.2941   10.949   46.198   20.665   42.927   19.884 3.271053 28.67827 
1 1 1  -14   30   22 o   63.072   16.544   10.876   7.4754   8.2094   9.8688   14.465   11.450   57.437   22.266   68.707   24.475 -11.26982 33.08751 
1 1 1  -14   30   23 o   42.193   13.766  -6.8373   7.3354 -11.6824   9.8005  -0.6654   11.061   36.197   17.365   48.189   21.365 -11.99182 27.53236 
1 1 1  -14   30   24 o   87.718   16.092   24.922   8.1641   35.550   11.589   14.450   11.503  106.733   20.841   68.703   24.525 38.02950 32.18436 
1 1 1  -14   30   25 o   77.551   16.316   18.740   7.6840   11.326   10.387   27.701   11.419   62.736   23.174   92.366   22.974 -29.62991 32.63200 
1 1 1  -14   30   26 o   65.162   17.070   12.749   7.9818   12.580   11.267   12.918   11.309   64.887   24.102   65.437   24.179 -0.5494995 34.13945 
1 1 1  -14   30   27 o   60.662   16.639   9.8444   7.8708   12.867   11.246   6.9414   11.020   65.050   24.095   56.274   22.954 8.775928 33.27883 
1 1 1  -14   30   28 o   51.517   15.752   2.5513   8.0557   3.7967   11.412   1.3146   11.373   52.905   22.584   50.130   21.965 2.774979 31.50444 
1 1 1  -14   30   29 o  110.752   14.437   39.083   8.3210   38.095   11.741   40.080   11.794  109.108   20.671  112.396   20.160 -3.287422 28.87421 
1 1 1  -14   30   30 o   65.572   16.677   13.359   7.9217   20.765   11.466   6.5947   10.957   76.628   24.504   54.516   22.628 22.11227 33.35397 
1 1 1  -14   30   31 o   54.225   15.881   6.0150   7.8026   1.2727   11.066   10.705   11.004   48.468   21.435   59.982   23.439 -11.51338 31.76268 
1 1 1  -14   30   32 o   93.991   14.801   29.075   8.4863   9.1243   11.735   50.947   12.287   58.811   23.798  129.171   17.603 -70.35943 29.60135 
1 1 1  -14   30   33 o  129.831   17.921   52.365   11.124   74.797   21.441   44.103   13.013  143.335   28.683  116.325   21.493 27.01005 35.84266 
1 1 1  -14   30   34 o   91.921   20.078   33.764   13.820   4.5878   21.440   54.505   18.077   62.802   28.620  121.040   28.167 -58.23828 40.15557 
1 1 1  -14   30   35 o   59.642   18.607   8.5642   12.418  -4.3694   19.446   17.471   16.137   52.571   25.011   66.712   27.557 -14.14155 37.21462 
1 1 1  -14   30   36 o   39.985   13.744 -12.4767   9.3860  -7.5223   11.771 -21.1261   15.553   40.359   19.273   39.610   19.600 0.7492104 27.48818 
1 1 1  -14   30   37 o   67.080   17.128   15.940   8.2904   9.1271   11.303   23.873   12.197   56.004   23.091   78.157   25.302 -22.15292 34.25535 
1 1 1  -14   30   38 o   58.733   17.947   7.0527   9.7062  -0.3332   11.595   24.347   17.743   45.513   20.857   71.954   29.212 -26.44107 35.89309 
1 1 1  -14   30   39 f   99.042   19.854   43.648   10.925   41.284   13.833   47.568   17.809  100.098   25.503   97.986   30.435 2.112778 39.70704 
1 1 1  -14   31    1 o  116.462   10.991   41.039   6.3498   30.923   9.8196   48.308   8.3245  101.450   18.598  131.473   11.717 -30.02319 21.98129 
1 1 1  -14   31    2 o   92.178   15.456   27.178   7.6227   31.408   10.140   21.683   11.559  101.991   19.101   82.365   24.303 19.62644 30.91132 
1 1 1  -14   31    3 o  141.081   10.526   56.217   7.9741   48.430   10.752   65.736   11.888  130.122   15.291  152.040   14.469 -21.91795 21.05189 
1 1 1  -14   31    4 o   76.356   16.590   18.275   7.5358   20.590   10.811   16.087   10.510   80.577   23.427   72.136   23.497 8.440567 33.18037 
1 1 1  -14   31    5 o   80.143   16.606   20.577   7.9112   25.733   10.757   14.504   11.675   90.511   22.170   69.775   24.729 20.73598 33.21218 
1 1 1  -14   31    6 o   57.565   16.204   6.7647   7.7477   10.577   10.566   2.3296   11.395   62.575   23.320   52.554   22.505 10.02079 32.40834 
1 1 1  -14   31    7 o   50.162   15.086   0.7893   7.4886   7.1894   10.510  -5.8098   10.672   57.317   22.749   43.006   19.819 14.31079 30.17152 
1 1 1  -14   31    8 o  159.031   33.463   89.617   27.845   89.617   27.845   0.0000   0.0000  159.031   33.463  ?   ?       ?      ? 
1 1 1  -14   31    9 f  135.926   21.159   67.132   11.488   55.135   29.861   69.216   12.446  116.223   39.646  155.630   14.799 -39.40731 42.31809 
1 1 1  -14   31   10 o   68.418   19.311   11.994   9.5867   13.149   10.692   7.2590   21.650   66.723   23.663   70.113   30.524 -3.389587 38.62206 
1 1 1  -14   31   11 o   91.099   16.177   33.224   9.8628   43.801   10.991 -10.5068   22.349  122.846   16.557   59.351   27.796 63.49476 32.35382 
1 1 1  -14   31   12 o   63.142   14.908   7.6147   7.5541  -7.9763   10.689   23.170   10.677   41.139   19.253   85.144   22.766 -44.00471 29.81562 
1 1 1  -14   31   13 o   92.721   15.311   27.383   7.5464   30.275   10.269   23.986   11.127   99.187   19.852   86.255   23.316 12.93230 30.62291 
1 1 1  -14   31   14 o   86.996   16.205   24.300   7.7691   20.825   10.820   27.998   11.163   80.286   23.464   93.707   22.357 -13.42096 32.40959 
1 1 1  -14   31   15 o  127.460   11.682   47.165   8.0229   44.088   10.854   50.871   11.912  123.011   16.329  131.908   16.711 -8.897049 23.36458 
1 1 1  -14   31   16 o   83.229   16.049   23.047   7.8349   30.043   10.452   14.073   11.837   98.204   20.364   68.255   24.812 29.94869 32.09889 
1 1 1  -14   31   17 o   65.421   15.469   10.819   7.7960   23.119   10.592  -3.7200   11.516   84.633   22.695   46.209   21.026 38.42379 30.93807 
1 1 1  -14   31   18 o   53.779   15.790   4.7736   7.5741   6.2653   10.341   3.0475   11.124   55.210   22.341   52.348   22.321 2.862003 31.58066 
1 1 1  -14   31   19 o  132.398   11.379   50.861   8.1154   48.901   10.979   53.223   12.050  129.855   15.646  134.941   16.525 -5.085968 22.75712 
1 1 1  -14   31   20 o   40.026   13.348  -8.8838   7.5107  -6.9743   10.076 -11.2720   11.268   40.239   18.786   39.813   18.968 0.4260063 26.69674 
1 1 1  -14   31   21 o   51.299   15.252   2.5832   7.5944   8.7496   10.209  -5.0562   11.363   58.170   22.620   44.427   20.465 13.74310 30.50374 
1 1 1  -14   31   22 o   65.109   16.173   10.071   8.2124  -2.6304   11.401   23.769   11.840   46.433   21.047   83.786   24.562 -37.35243 32.34608 
1 1 1  -14   31   23 o   83.031   16.429   22.176   8.1546   12.456   11.035   33.871   12.104   64.268   23.856  101.794   22.595 -37.52561 32.85794 
1 1 1  -14   31   24 o   86.007   16.637   24.913   7.9899   27.012   11.013   22.580   11.610   90.481   22.593   81.532   24.428 8.949554 33.27442 
1 1 1  -14   31   25 o   39.935   13.408 -11.4844   7.8879  -3.1566   11.606 -18.6339   10.753   45.907   20.973   33.963   16.709 11.94344 26.81521 
1 1 1  -14   31   26 o   49.897   15.389   2.4950   7.8202   3.5521   11.153   1.4728   10.968   51.159   22.090   48.635   21.433 2.523632 30.77874 
1 1 1  -14   31   27 o   59.968   15.326   6.2636   8.2397 -12.9391   12.082   22.960   11.266   39.411   19.002   80.524   24.050 -41.11319 30.65120 
1 1 1  -14   31   28 o   54.798   16.057   6.2743   7.9437   10.027   10.929   2.0710   11.566   59.280   23.302   50.316   22.097 8.963684 32.11330 
1 1 1  -14   31   29 o   73.589   15.933   16.573   8.2011   2.5291   11.456   31.338   11.746   50.820   22.162   96.357   22.897 -45.53690 31.86609 
1 1 1  -14   31   30 o   60.880   24.197   10.486   11.906   0.0000   0.0000   10.486   11.906  ?   ?    60.880   24.197      ?      ? 
1 1 1  -14   31   31 o   49.339   16.614 -12.8577   12.920 -36.8468   21.468   0.7664   16.179   44.273   22.092   54.405   24.820 -10.13186 33.22753 
1 1 1  -14   31   32 o   43.119   15.195 -26.7089   13.383 -16.9887   21.043 -33.3108   17.342   47.927   23.537   38.310   19.224 9.617176 30.39008 
1 1 1  -14   31   33 f   42.630   15.076 -32.1946   14.485 -24.4144   20.353 -40.1802   20.620   44.672   22.161   40.588   20.445 4.084095 30.15130 
1 1 1  -14   31   34 o   71.830   19.392   21.207   10.511   22.523   13.455   19.146   16.838   74.676   26.538   68.985   28.283 5.690514 38.78427 
1 1 1  -14   31   35 o   58.249   17.776   10.761   10.116   10.930   13.107   10.511   15.908   57.852   24.429   58.647   25.830 -0.7953110 35.55249 
1 1 1  -14   31   36 o  131.962   17.526   67.111   11.821   61.171   15.152   76.351   18.897  127.740   22.786  136.184   26.634 -8.444298 35.05107 
1 1 1  -14   32    1 o  122.973   10.903   42.385   7.0160   49.392   11.774   38.528   8.7363  129.850   16.781  116.096   13.926 13.75463 21.80640 
1 1 1  -14   32    2 o   57.846   16.165   7.8485   7.4692   6.6712   10.248   9.1826   10.909   55.623   22.334   60.068   23.375 -4.444767 32.32957 
1 1 1  -14   32    3 o  115.463   13.082   40.552   7.7782   49.756   10.992   31.322   11.008  131.065   15.520   99.860   21.063 31.20516 26.16358 
1 1 1  -14   32    4 o  167.347   13.382   79.719   12.101   0.0000   0.0000   79.719   12.101  ?   ?   167.347   13.382      ?      ? 
1 1 1  -14   32    5 o  183.669   9.3910   96.090   9.2897  105.041   13.175   87.238   13.101  192.611   12.658  174.727   13.876 17.88461 18.78209 
1 1 1  -14   32    6 o  101.323   14.973   31.551   8.1650   19.686   10.981   46.222   12.211   77.825   23.853  124.821   18.104 -46.99631 29.94548 
1 1 1  -14   32    7 o  112.460   13.962   38.943   8.1213   41.045   10.714   36.103   12.452  118.396   16.746  106.524   22.345 11.87234 27.92388 
1 1 1  -14   32    8 o   66.663   16.804   13.202   7.7341   9.8924   10.873   16.592   11.003   61.108   23.457   72.219   24.067 -11.11111 33.60759 
1 1 1  -14   32    9 o   71.320   20.241   14.366   10.182  -1.8986   29.667   16.538   10.841   70.514   32.687   72.126   23.882 -1.612839 40.48202 
1 1 1  -14   32   10 o   82.919   15.772   25.669   10.806 -49.0315   27.234   39.629   11.773   50.712   25.236  115.126   18.924 -64.41364 31.54338 
1 1 1  -14   32   11 f   67.270   18.535   12.808   9.4673   15.700   10.837   3.4842   19.458   70.567   23.884   63.972   28.351 6.594830 37.07092 
1 1 1  -14   32   12 o  102.977   19.127   30.186   9.2839   24.746   10.444   50.676   20.270   87.826   22.041  118.128   31.266 -30.30227 38.25439 
1 1 1  -14   32   13 o   45.284   14.495  -2.8500   7.6051  -1.8795   10.274  -4.0262   11.311   45.213   20.281   45.354   20.715 -0.1409111 28.99028 
1 1 1  -14   32   14 o  132.833   12.084   52.005   8.6529   48.239   11.767   56.437   12.768  127.643   17.061  138.023   17.119 -10.37912 24.16863 
1 1 1  -14   32   15 o   67.371   17.043   13.901   8.1465   18.977   11.282   8.3722   11.775   75.551   24.323   59.191   23.879 16.36013 34.08503 
1 1 1  -14   32   16 o   63.878   15.536   10.743   7.7929   21.907   10.408  -3.4977   11.756   81.425   22.768   46.331   21.144 35.09348 31.07182 
1 1 1  -14   32   17 o  158.606   10.352   72.845   8.8566   67.546   12.155   78.843   12.931  152.385   14.761  164.827   14.519 -12.44205 20.70467 
1 1 1  -14   32   18 o   63.680   16.350   11.289   7.9689   19.243   10.858   2.0032   11.732   75.925   23.794   51.436   22.430 24.48876 32.69944 
1 1 1  -14   32   19 o   82.722   17.114   23.313   8.1272   23.652   11.039   22.911   12.010   83.828   23.450   81.617   24.934 2.211288 34.22877 
1 1 1  -14   32   20 o   61.185   15.588   6.6983   7.9656  -7.5183   10.886   23.080   11.686   40.915   19.238   81.455   24.532 -40.54048 31.17540 
1 1 1  -14   32   21 o   57.330   15.993   5.9902   8.1971   17.633   11.683  -5.3004   11.504   71.149   24.774   43.510   20.233 27.63890 31.98655 
1 1 1  -14   32   22 o   42.781   14.087  -6.1009   8.0707  -1.2626   11.012 -11.7163   11.863   45.873   20.749   39.689   19.058 6.183632 28.17300 
1 1 1  -14   32   23 o   50.701   15.193   0.5292   8.1687   11.837   11.050 -13.0984   12.130   61.877   23.672   39.525   19.053 22.35262 30.38689 
1 1 1  -14   32   24 o   63.536   17.327   12.232   8.4747   15.418   12.240   9.2985   11.745   67.986   25.147   59.085   23.844 8.901119 34.65422 
1 1 1  -14   32   25 o   97.542   22.936   32.077   11.886   0.0000   0.0000   32.077   11.886  ?   ?    97.542   22.936      ?      ? 
1 1 1  -14   32   26 o   70.401   17.933   16.839   8.8433   13.108   12.572   20.492   12.441   64.788   25.127   76.013   25.592 -11.22504 35.86543 
1 1 1  -14   32   27 o   53.070   15.880   4.9959   7.9348   0.8473   10.736   9.9892   11.779   47.139   20.967   59.001   23.854 -11.86179 31.75943 
1 1 1  -14   32   28 o   50.065   24.385 -12.6779   21.239 -12.6779   21.239   0.0000   0.0000   50.065   24.385  ?   ?       ?      ? 
1 1 1  -14   32   31 o   51.165   16.665  -1.1958   10.132  -7.1261   12.617   9.5766   17.005   42.657   20.251   59.673   26.472 -17.01573 33.33009 
1 1 1  -14   32   32 f   50.379   16.262   3.0460   9.8457   5.0653   12.849   0.1741   15.323   51.104   22.819   49.653   23.176 1.451805 32.52496 
1 1 1  -14   32   33 o   54.722   17.157   8.6958   9.8641   7.3919   12.554   10.800   15.947   52.380   23.012   57.064   25.455 -4.684017 34.31495 
1 1 1  -14   33    1 o   49.881   13.578   1.3648   6.6143 -15.9369   10.318   13.434   8.6179   34.566   16.871   65.196   21.279 -30.62971 27.15571 
1 1 1  -14   33    2 o   50.517   14.528   4.9615   6.3273   0.2340   10.466   7.6844   7.9431   47.399   20.910   53.635   20.175 -6.236488 29.05599 
1 1 1  -14   33    3 o   53.096   15.636   5.0365   7.4318   4.6329   10.396   5.4582   10.628   52.395   21.919   53.797   22.304 -1.402435 31.27155 
1 1 1  -14   33    4 o   89.647   16.085   26.485   7.7611   26.312   10.319   26.710   11.777   90.155   21.486   89.140   23.942 1.015205 32.16923 
1 1 1  -14   33    5 o   40.784   13.545  -7.6023   7.5235  -7.0269   9.9457  -8.3719   11.503   39.594   18.543   41.975   19.748 -2.380775 27.08954 
1 1 1  -14   33    6 o  136.787   11.498   53.950   8.3747   43.294   11.012   68.564   12.897  120.684   16.887  152.890   15.611 -32.20538 22.99662 
1 1 1  -14   33    7 o  140.056   11.470   58.140   8.5592   59.640   11.331   56.147   13.062  143.272   14.635  136.839   17.665 6.432785 22.94023 
1 1 1  -14   33    8 f   61.777   16.804   10.797   7.9315   12.368   10.455   8.6688   12.173   63.775   23.298   59.779   24.222 3.995605 33.60786 
1 1 1  -14   33    9 o   68.910   16.941   15.260   7.6630   14.503   10.130   16.273   11.716   67.295   23.090   70.525   24.796 -3.229713 33.88189 
1 1 1  -14   33   10 o   78.278   20.034   22.404   11.057   7.0023   25.186   26.081   12.306   69.430   31.394   87.126   24.896 -17.69610 40.06755 
1 1 1  -14   33   11 f   83.497   20.574   26.245   11.030   17.622   25.429   28.243   12.242   76.167   33.120   90.828   24.417 -14.66080 41.14756 
1 1 1  -14   33   12 o   79.030   19.971   12.793   9.5218   4.3821   10.642   46.554   21.321   51.920   21.973  106.139   33.355 -54.21875 39.94225 
1 1 1  -14   33   13 o   54.419   17.496   1.5655   9.8193   3.5012   10.966  -6.2680   22.059   51.068   21.977   57.770   27.231 -6.701649 34.99278 
1 1 1  -14   33   14 o   47.399   14.584  -0.3663   7.6273   7.8533   10.051 -11.5276   11.712   55.193   22.133   39.606   18.996 15.58633 29.16708 
1 1 1  -14   33   15 o   57.335   16.318   7.6482   7.8701   2.5211   10.403   14.509   12.034   48.712   21.183   65.959   24.828 -17.24723 32.63674 
1 1 1  -14   33   16 o   35.968   12.402 -14.8988   7.6675 -14.9666   10.032 -14.8034   11.891   33.932   16.578   38.003   18.450 -4.071762 24.80320 
1 1 1  -14   33   17 o   56.012   23.345   7.0590   11.731   0.0000   0.0000   7.0590   11.731  ?   ?    56.012   23.345      ?      ? 
1 1 1  -14   33   18 o   68.219   17.632   15.289   8.5648   11.394   11.791   19.639   12.462   61.912   24.244   74.527   25.608 -12.61441 35.26385 
1 1 1  -14   33   19 o   50.460   15.495   0.0240   8.5136   9.3827   11.524 -11.2204   12.632   59.112   23.702   41.807   19.964 17.30494 30.98916 
1 1 1  -14   33   20 o   99.809   16.771   34.683   9.0254   40.916   12.293   27.394   13.293  112.368   21.018   87.250   26.139 25.11823 33.54131 
1 1 1  -14   33   21 o   67.826   18.135   8.6900   9.8258  -3.8381   12.264   31.149   16.420   46.180   21.268   89.473   29.381 -43.29303 36.27069 
1 1 1  -14   33   22 o   82.887   19.643   27.047   10.511   29.640   13.697   23.333   16.392   88.719   26.523   77.054   28.982 11.66513 39.28660 
1 1 1  -14   33   23 o   47.854   15.712  -2.2667   9.7944   1.4167   12.526  -8.0608   15.711   49.027   22.157   46.682   22.284 2.345547 31.42494 
1 1 1  -14   33   24 o   69.259   16.846   12.760   10.967   40.180   14.742 -21.2275   16.412   97.800   27.005   40.718   20.146 57.08229 33.69168 
1 1 1  -14   33   28 o   75.960   19.833   25.288   10.683   17.779   13.649   37.162   17.164   65.165   25.905   86.755   30.039 -21.58943 39.66651 
1 1 1  -14   33   29 o   47.030   15.222   0.9269   8.8289   6.2590   12.499  -4.3835   12.473   51.274   22.723   42.785   20.261 8.488827 30.44420 
1 1 1  -14   34    1 f   39.236   12.983  -6.1400   6.8673  -5.0068   9.8651  -7.2055   9.5656   40.456   18.787   38.017   17.923 2.438938 25.96537 
1 1 1  -14   34    2 o   79.012   15.987   20.867   7.3193   28.041   10.980   15.128   9.8195   90.872   22.483   67.153   22.736 23.71973 31.97488 
1 1 1  -14   34    3 f   52.544   15.190   4.9589   7.2253  -1.6302   10.279   11.394   10.158   44.347   20.054   60.742   22.821 -16.39521 30.38032 
1 1 1  -14   34    4 o  142.062   15.181   69.141   10.348   93.739   14.137   40.743   15.190  178.160   14.684  105.964   26.575 72.19533 30.36205 
1 1 1  -14   34    5 o   48.159   15.334  -1.4278   8.6674   4.1983   10.971 -10.7703   14.138   51.715   22.112   44.603   21.250 7.112099 30.66704 
1 1 1  -14   34    6 o   56.245   16.962   6.1824   8.9935   8.0964   11.218   2.7387   15.047   56.875   23.175   55.615   24.774 1.259697 33.92365 
1 1 1  -14   34    7 o   74.122   18.453   19.855   9.4180   23.089   11.807   14.198   15.616   80.807   24.729   67.437   27.395 13.36990 36.90536 
1 1 1  -14   34    8 o   61.753   17.524   9.2707   9.9331   18.324   12.638  -5.3626   16.067   72.428   25.722   51.078   23.805 21.34958 35.04706 
1 1 1  -14   34    9 o   57.020   17.646   4.6496   10.238   4.2883   13.417   5.1532   15.839   55.244   24.040   58.797   25.839 -3.552593 35.29255 
1 1 1  -14   34   10 o   72.421   18.921   18.401   9.8812   20.705   12.476   14.523   16.186   76.487   25.628   68.355   27.843 8.132698 37.84253 
1 1 1  -14   34   11 o   88.116   29.435   29.910   16.457   0.0000   0.0000   29.910   16.457  ?   ?    88.116   29.435      ?      ? 
1 1 1  -14   34   12 o  119.868   27.129   51.464   17.162   0.0000   0.0000   51.464   17.162  ?   ?   119.868   27.129      ?      ? 
1 1 1  -14   34   13 o   59.657   24.431   9.1104   12.547   9.1104   12.547   0.0000   0.0000   59.657   24.431  ?   ?       ?      ? 
1 1 1  -14   34   14 o   39.246   18.908 -12.8761   11.906 -12.8761   11.906   0.0000   0.0000   39.246   18.908  ?   ?       ?      ? 
1 1 1  -14   34   15 o   77.400   19.357   22.878   10.141   24.324   12.951   20.586   16.303   80.889   26.062   73.912   28.627 6.976837 38.71345 
1 1 1  -14   34   16 f   64.434   18.737   13.149   10.253   9.2095   13.057   19.486   16.560   58.141   24.457   70.727   28.393 -12.58592 37.47427 
1 1 1  -14   34   17 o   71.969   19.374   22.089   10.448   22.950   13.546   20.824   16.418   74.193   26.600   69.746   28.175 4.446968 38.74769 
1 1 1  -14   34   18 o  112.084   18.318   49.624   10.705   47.568   13.786   52.748   16.990  112.896   23.368  111.273   28.216 1.622833 36.63599 
1 1 1  -14   34   19 o   64.957   18.059   16.905   10.011   23.153   12.792   7.0270   16.084   74.176   25.918   55.738   25.156 18.43823 36.11890 
1 1 1  -14   34   20 o  101.775   19.576   41.458   10.835   37.793   13.804   47.342   17.488   98.683   25.650  104.867   29.579 -6.184418 39.15176 
1 1 1  -14   34   21 o   52.463   23.626   3.1824   14.098   0.0000   0.0000   3.1824   14.098  ?   ?    52.463   23.626      ?      ? 
1 1 1  -14   34   22 o   63.734   28.466   13.694   20.008   0.0000   0.0000   13.694   20.008  ?   ?    63.734   28.466      ?      ? 
1 1 1  -14   34   23 o   68.224   21.487   22.893   16.685   11.115   26.205   30.923   21.638   61.757   29.280   74.691   31.456 -12.93429 42.97412 
1 1 1  -14   34   24 o   61.810   20.007   14.060   14.724   26.081   23.156   5.9009   19.078   68.357   30.570   55.264   25.817 13.09237 40.01362 
1 1 1  -14   35    1 o   71.958   20.592   18.415   8.4128   0.0000   0.0000   18.415   8.4128  ?   ?    71.958   20.592      ?      ? 
1 1 1  -14   35    2 o   93.100   15.944   31.189   7.6233   33.423   13.216   30.074   9.3324   91.631   25.667   94.569   18.923 -2.938286 31.88853 
1 1 1  -14   35    3 o   71.875   15.965   16.061   8.6016   36.869   12.824  -0.9545   11.597   98.531   24.251   45.219   20.772 53.31245 31.93076 
1 1 1  -14   35    4 o   42.300   13.878  -3.2989   7.6941   0.6935   10.631  -7.6905   11.150   45.174   20.414   39.425   18.807 5.749382 27.75697 
1 1 1  -14   35    5 o   45.012   14.659  -1.1560   8.2245   0.6547   12.014  -2.7529   11.283   46.926   21.400   43.097   20.039 3.829567 29.31807 
1 1 1  -14   35    6 o   60.910   17.145   12.954   8.7571   20.014   12.663   6.4829   12.124   69.476   25.601   52.344   22.814 17.13187 34.29081 
1 1 1  -14   35    7 o   38.389   13.097 -10.0046   8.1360 -10.4248   11.228  -9.5401   11.805   37.624   18.184   39.154   18.854 -1.530396 26.19468 
1 1 1  -14   35    8 o   37.314   12.809 -11.8766   7.9053 -15.8447   10.439  -6.5404   12.105   33.185   16.352   41.443   19.722 -8.257984 25.61895 
1 1 1  -14   35    9 o   54.661   16.074   7.7501   8.4244   16.108   11.667  -1.3528   12.176   64.053   24.367   45.270   20.970 18.78285 32.14787 
1 1 1  -14   35   10 o   58.714   16.555   10.369   8.0515   3.9405   10.474   19.654   12.588   48.144   21.088   69.285   25.526 -21.14041 33.10995 
1 1 1  -14   35   11 o   63.308   17.194   14.491   8.2641   11.376   11.091   18.379   12.391   58.311   23.297   68.304   25.294 -9.992477 34.38858 
1 1 1  -14   35   12 o   45.274   15.675 -11.9922   11.102 -33.4910   25.692  -7.0558   12.311   48.269   24.099   42.280   20.052 5.989166 31.35036 
1 1 1  -14   35   13 o   45.318   15.728 -12.7365   11.170 -31.6667   25.731  -8.3411   12.399   48.941   24.383   41.694   19.874 7.246593 31.45660 
1 1 1  -14   35   14 o   57.662   18.160   7.4556   10.423   6.9682   12.084   8.8716   20.599   54.003   23.151   61.321   27.987 -7.318207 36.32097 
1 1 1  -14   35   15 o   58.782   17.950   10.380   10.362   13.243   12.202   2.9752   19.624   61.134   24.432   56.430   26.302 4.704750 35.89910 
1 1 1  -14   35   16 o   55.195   16.230   7.5455   8.6105   17.223   12.172  -2.1476   12.182   65.635   24.908   44.756   20.815 20.87880 32.46008 
1 1 1  -14   35   17 o   61.714   19.161   14.529   11.219   14.227   25.694   14.600   12.471   62.331   29.383   61.097   24.600 1.234455 38.32146 
1 1 1  -14   35   18 f   58.935   19.442   9.6927   15.928  -6.2523   25.696   19.642   20.298   53.457   26.204   64.412   28.727 -10.95533 38.88325 
1 1 1  -14   36    1 o   51.798   20.271   8.7510   8.2397   0.0000   0.0000   8.7510   8.2397  ?   ?    51.798   20.271      ?      ? 
1 1 1  -14   36    2 o   79.273   18.724   21.831   7.8929   0.0000   0.0000   21.831   7.8929  ?   ?    79.273   18.724      ?      ? 
1 1 1  -14   36    3 o   53.199   15.311   9.2264   6.8592   7.6284   11.436   10.124   8.5724   52.198   22.453   54.200   20.822 -2.001705 30.62236 
1 1 1  -14   36    4 o   56.127   15.472   8.6926   6.7529   19.919   11.483   2.7580   8.3491   69.054   24.519   43.201   18.878 25.85244 30.94465 
1 1 1  -14   36    5 o   63.588   15.512   14.266   6.7894   23.559   10.462   7.5063   8.9237   77.022   23.215   50.155   20.580 26.86629 31.02364 
1 1 1  -14   36    6 o   49.667   15.514   4.7913   8.3523   9.2725   11.517  -0.1803   12.131   53.916   22.840   45.417   21.000 8.498348 31.02699 
1 1 1  -14   36    7 o   46.955   14.820   1.8662   7.5332  -3.1405   9.6374   9.7297   12.078   39.291   18.353   54.619   23.273 -15.32807 29.63913 
1 1 1  -14   36    8 o   60.381   16.667   13.277   8.0970   6.8568   10.853   21.336   12.160   50.614   21.823   70.147   25.197 -19.53319 33.33330 
1 1 1  -13    0    1 o  757.350   9.2309  1552.19   53.389  1552.19   53.389  1552.19   53.389  757.350   13.054  757.350   13.054 0.000000 0.000000 
1 1 1  -13    0    2 o  276.722   4.1448  207.200   8.7562  207.200   8.7562  207.200   8.7562  276.722   5.8617  276.722   5.8617 0.000000 0.000000 
1 1 1  -13    0    3 f  107.745   3.5640   31.574   2.9199   31.574   2.9199   31.574   2.9199  107.745   5.0402  107.745   5.0402 0.000000 0.000000 
1 1 1  -13    0    4 o  524.071   6.6365  743.061   26.559  743.061   26.559  743.061   26.559  524.071   9.3854  524.071   9.3854 0.000000 0.000000 
1 1 1  -13    0    5 o  290.906   4.3034  228.985   9.5573  228.985   9.5573  228.985   9.5573  290.906   6.0859  290.906   6.0859 0.000000 0.000000 
1 1 1  -13    0    6 o  401.897   5.3607  436.990   16.451  436.990   16.451  436.990   16.451  401.897   7.5812  401.897   7.5812 0.000000 0.000000 
1 1 1  -13    0    7 o  636.505   7.8892  1096.32   38.347  1096.32   38.347  1096.32   38.347  636.505   11.157  636.505   11.157 0.000000 0.000000 
1 1 1  -13    0    8 o   96.607   4.0161   25.481   2.9415   25.481   2.9415   25.481   2.9415   96.607   5.6796   96.607   5.6796 0.000000 0.000000 
1 1 1  -13    0    9 o  662.482   8.1849  1187.72   41.409  1187.72   41.409  1187.72   41.409  662.482   11.575  662.482   11.575 0.000000 0.000000 
1 1 1  -13    0   10 o  520.752   6.6350  733.756   26.385  733.756   26.385  733.756   26.385  520.752   9.3832  520.752   9.3832 0.000000 0.000000 
1 1 1  -13    0   11 o  758.339   9.2727  1556.66   53.701  1556.66   53.701  1556.66   53.701  758.339   13.114  758.339   13.114 0.000000 0.000000 
1 1 1  -13    0   12 o  110.273   4.0920   33.131   3.4266   33.131   3.4266   33.131   3.4266  110.273   5.7870  110.273   5.7870 0.000000 0.000000 
1 1 1  -13    0   13 o  487.977   6.3038  644.313   23.490  644.313   23.490  644.313   23.490  487.977   8.9149  487.977   8.9149 0.000000 0.000000 
1 1 1  -13    0   14 o  303.800   4.5375  249.760   10.524  249.760   10.524  249.760   10.524  303.800   6.4170  303.800   6.4170 0.000000 0.000000 
1 1 1  -13    0   15 o  358.802   7.1180  348.874   19.482  348.874   19.482  348.874   19.482  358.802   10.066  358.802   10.066 0.000000 0.000000 
1 1 1  -13    0   18 o  868.281   14.971  2047.30   99.204  2047.30   99.204  2047.30   99.204  868.281   21.172  868.281   21.172 0.000000 0.000000 
1 1 1  -13    0   19 o   77.545   6.0251   16.835   3.4606   16.835   3.4606   16.835   3.4606   77.545   8.5208   77.545   8.5208 0.000000 0.000000 
1 1 1  -13    0   20 o  233.611   4.2201  147.773   7.5228  147.773   7.5228  147.773   7.5228  233.611   5.9682  233.611   5.9682 0.000000 0.000000 
1 1 1  -13    0   21 o  437.978   5.8664  519.069   19.619  519.069   19.619  519.069   19.619  437.978   8.2963  437.978   8.2963 0.000000 0.000000 
1 1 1  -13    0   22 o   51.705   10.471   8.7965   3.5868   8.7965   3.5868   8.7965   3.5868   51.705   14.809   51.705   14.809 0.000000 0.000000 
1 1 1  -13    0   23 o  595.357   7.5296  959.182   34.232  959.182   34.232  959.182   34.232  595.357   10.648  595.357   10.648 0.000000 0.000000 
1 1 1  -13    0   24 o  197.047   4.3142  105.227   6.4822  105.227   6.4822  105.227   6.4822  197.047   6.1011  197.047   6.1011 0.000000 0.000000 
1 1 1  -13    0   25 o  660.413   8.2543  1180.29   41.629  1180.29   41.629  1180.29   41.629  660.413   11.673  660.413   11.673 0.000000 0.000000 
1 1 1  -13    0   26 f  642.677   8.0703  1117.66   39.607  1117.66   39.607  1117.66   39.607  642.677   11.413  642.677   11.413 0.000000 0.000000 
1 1 1  -13    0   27 f  368.166   5.3536  366.772   15.048  366.772   15.048  366.772   15.048  368.166   7.5711  368.166   7.5711 0.000000 0.000000 
1 1 1  -13    0   28 o  611.896   7.7502  1013.05   36.214  1013.05   36.214  1013.05   36.214  611.896   10.960  611.896   10.960 0.000000 0.000000 
1 1 1  -13    0   29 o  688.363   8.5878  1282.22   45.144  1282.22   45.144  1282.22   45.144  688.363   12.145  688.363   12.145 0.000000 0.000000 
1 1 1  -13    0   30 o  838.315   10.257  1902.21   65.668  1902.21   65.668  1902.21   65.668  838.315   14.506  838.315   14.506 0.000000 0.000000 
1 1 1  -13    0   31 o  413.662   5.8470  463.021   18.467  463.021   18.467  463.021   18.467  413.662   8.2689  413.662   8.2689 0.000000 0.000000 
1 1 1  -13    0   32 o  179.931   5.5700   87.998   7.6254   87.998   7.6254   87.998   7.6254  179.931   7.8771  179.931   7.8771 0.000000 0.000000 
1 1 1  -13    0   33 o  1380.88   16.525  5170.63  174.264  5170.63  174.264  5170.63  174.264  1380.88   23.369  1380.88   23.369 0.000000 0.000000 
1 1 1  -13    0   34 o  298.828   5.3730  241.816   12.252  241.816   12.252  241.816   12.252  298.828   7.5985  298.828   7.5985 0.000000 0.000000 
1 1 1  -13    0   37 o  140.135   8.1661   54.179   8.6085   54.179   8.6085   54.179   8.6085  140.135   11.549  140.135   11.549 0.000000 0.000000 
1 1 1  -13    0   38 o  328.003   5.8025  291.359   14.524  291.359   14.524  291.359   14.524  328.003   8.2060  328.003   8.2060 0.000000 0.000000 
1 1 1  -13    0   39 o  1079.99   13.100  3163.17  108.050  3163.17  108.050  3163.17  108.050  1079.99   18.527  1079.99   18.527 0.000000 0.000000 
1 1 1  -13    0   40 o  415.876   6.3493  468.283   20.158  468.283   20.158  468.283   20.158  415.876   8.9793  415.876   8.9793 0.000000 0.000000 
1 1 1  -13    0   41 f  739.333   9.3033  1480.91   52.525  1480.91   52.525  1480.91   52.525  739.333   13.157  739.333   13.157 0.000000 0.000000 
1 1 1  -13    0   42 o  292.043   5.8169  231.186   12.959  231.186   12.959  231.186   12.959  292.043   8.2263  292.043   8.2263 0.000000 0.000000 
1 1 1  -13    0   43 o  716.558   9.0481  1391.77   49.511  1391.77   49.511  1391.77   49.511  716.558   12.796  716.558   12.796 0.000000 0.000000 
1 1 1  -13    0   44 o  261.155   5.6905  184.987   11.332  184.987   11.332  184.987   11.332  261.155   8.0476  261.155   8.0476 0.000000 0.000000 
1 1 1  -13    0   47 o  165.292   9.7909   75.721   12.168   75.721   12.168   75.721   12.168  165.292   13.846  165.292   13.846 0.000000 0.000000 
1 1 1  -13    0   48 o  172.846   6.6735   81.664   8.7548   81.664   8.7548   81.664   8.7548  172.846   9.4377  172.846   9.4377 0.000000 0.000000 
1 1 1  -13    0   49 o  201.673   6.1114  110.761   9.3794  110.761   9.3794  110.761   9.3794  201.673   8.6429  201.673   8.6429 0.000000 0.000000 
1 1 1  -13    0   50 o  123.595   8.9009   42.788   8.2071   42.788   8.2071   42.788   8.2071  123.595   12.588  123.595   12.588 0.000000 0.000000 
1 1 1  -13    0   51 o  551.847   7.3844  827.835   31.116  827.835   31.116  827.835   31.116  551.847   10.443  551.847   10.443 0.000000 0.000000 
1 1 1  -13    0   52 o  110.963   9.9192   35.132   8.0455   35.132   8.0455   35.132   8.0455  110.963   14.028  110.963   14.028 0.000000 0.000000 
1 1 1  -13    0   53 o  124.135   8.1707   43.016   7.5966   43.016   7.5966   43.016   7.5966  124.135   11.555  124.135   11.555 0.000000 0.000000 
1 1 1  -13    0   54 o  145.104   7.5807   58.246   8.3005   58.246   8.3005   58.246   8.3005  145.104   10.721  145.104   10.721 0.000000 0.000000 
1 1 1  -13    0   55 o   68.399   15.545   16.363   7.1707   16.363   7.1707   16.363   7.1707   68.399   21.984   68.399   21.984 0.000000 0.000000 
1 1 1  -13    0   56 o   61.374   17.237   14.534   7.8023   14.534   7.8023   14.534   7.8023   61.374   24.377   61.374   24.377 0.000000 0.000000 
1 1 1  -13    0   57 o  127.830   7.9857   45.689   7.6609   45.689   7.6609   45.689   7.6609  127.830   11.293  127.830   11.293 0.000000 0.000000 
1 1 1  -13    0   58 o  386.779   6.1294  408.099   18.096  408.099   18.096  408.099   18.096  386.779   8.6682  386.779   8.6682 0.000000 0.000000 
1 1 1  -13    0   59 o   56.947   16.840   12.926   7.3429   12.926   7.3429   12.926   7.3429   56.947   23.816   56.947   23.816 0.000000 0.000000 
1 1 1  -13    0   60 o  180.635   6.7043   89.906   9.1964   89.906   9.1964   89.906   9.1964  180.635   9.4813  180.635   9.4813 0.000000 0.000000 
1 1 1  -13    0   61 o  142.466   7.9249   56.819   8.5051   56.819   8.5051   56.819   8.5051  142.466   11.207  142.466   11.207 0.000000 0.000000 
1 1 1  -13    0   62 o  157.895   7.3525   69.292   8.7834   69.292   8.7834   69.292   8.7834  157.895   10.398  157.895   10.398 0.000000 0.000000 
1 1 1  -13    0   63 o   91.975   13.916   26.926   8.5907   26.926   8.5907   26.926   8.5907   91.975   19.680   91.975   19.680 0.000000 0.000000 
1 1 1  -13    0   64 o  132.343   8.9242   49.946   8.8371   49.946   8.8371   49.946   8.8371  132.343   12.621  132.343   12.621 0.000000 0.000000 
1 1 1  -13    0   65 o  169.130   7.9546   80.441   10.177   80.441   10.177   80.441   10.177  169.130   11.250  169.130   11.250 0.000000 0.000000 
1 1 1  -13    0   66 o  191.556   10.972  105.788   15.819  105.788   15.819  105.788   15.819  191.556   15.517  191.556   15.517 0.000000 0.000000 
1 1 1  -13    0   67 o   78.424   22.078   27.658   12.791   27.658   12.791   27.658   12.791   78.424   31.223   78.424   31.223 0.000000 0.000000 
1 1 1  -13    0   68 o  141.124   13.361   61.622   13.685   61.622   13.685   61.622   13.685  141.124   18.895  141.124   18.895 0.000000 0.000000 
1 1 1  -13    0   69 o  131.115   9.4969   50.844   9.2868   50.844   9.2868   50.844   9.2868  131.115   13.431  131.115   13.431 0.000000 0.000000 
1 1 1  -13    1    1 o  151.112   3.3793   61.717   2.7590   60.959   3.9183   62.461   3.8855  150.192   4.8279  152.032   4.7296 -1.839417 6.758528 
1 1 1  -13    1    2 o  116.315   3.4478   36.480   2.1646   38.459   3.1510   34.710   2.9787  119.297   4.8880  113.333   4.8639 5.963776 6.895646 
1 1 1  -13    1    3 o  360.723   4.9291  351.101   9.5980  338.595   13.210  365.086   13.969  353.932   6.9071  367.514   7.0340 -13.58221 9.858218 
1 1 1  -13    1    4 o  485.841   6.2214  638.174   16.333  635.255   23.017  641.134   23.181  484.723   8.7875  486.959   8.8094 -2.236847 12.44287 
1 1 1  -13    1    5 o  456.277   5.9164  562.861   14.587  561.986   20.616  563.739   20.643  455.921   8.3679  456.632   8.3662 -0.7106323 11.83280 
1 1 1  -13    1    6 o  280.232   4.2291  212.145   6.4024  207.404   8.9332  217.151   9.1807  277.015   5.9679  283.448   5.9939 -6.433716 8.458288 
1 1 1  -13    1    7 o  383.500   5.1836  397.567   10.741  399.685   15.275  395.494   15.108  384.510   7.3516  382.490   7.3097 2.020172 10.36712 
1 1 1  -13    1    8 o  433.335   5.6980  507.690   13.342  505.615   18.823  509.786   18.915  432.445   8.0549  434.225   8.0613 -1.779999 11.39591 
1 1 1  -13    1    9 o  314.947   4.5570  268.112   7.7553  269.143   11.012  267.097   10.924  315.547   6.4581  314.347   6.4311 1.200775 9.114029 
1 1 1  -13    1   10 o  1050.82   12.625  2992.40   71.660  2944.35   99.674  3043.81  103.098  1042.12   17.700  1059.51   18.008 -17.39111 25.25010 
1 1 1  -13    1   11 o  663.802   8.2040  1191.92   29.420  1175.54   41.044  1209.23   42.191  659.120   11.524  668.485   11.680 -9.364990 16.40799 
1 1 1  -13    1   12 o  403.936   5.4267  441.144   11.845  441.072   16.776  441.215   16.726  403.903   7.6865  403.969   7.6623 -0.6677246E-01 10.85332 
1 1 1  -13    1   13 o  638.894   7.9374  1104.44   27.401  1097.56   38.515  1111.49   38.992  636.883   11.191  640.904   11.259 -4.021423 15.87485 
1 1 1  -13    1   14 o  437.678   5.7883  517.853   13.687  510.843   19.131  525.202   19.590  434.647   8.1456  440.710   8.2260 -6.062561 11.57655 
1 1 1  -13    1   15 o  697.908   12.191  1320.55   45.965  1339.41   65.918  1302.70   64.127  702.739   17.359  693.077   17.123 9.661560 24.38280 
1 1 1  -13    1   18 o  578.016   8.9408  907.170   26.423  912.145   32.530  897.523   45.301  580.575   10.369  575.458   14.568 5.117065 17.88164 
1 1 1  -13    1   19 o  686.241   8.4977  1274.71   31.506  1288.30   45.046  1261.70   44.083  689.812   12.085  682.669   11.950 7.143738 16.99549 
1 1 1  -13    1   20 o  337.849   4.9116  308.592   8.9666  307.501   12.680  309.683   12.682  337.251   6.9576  338.447   6.9344 -1.195129 9.823122 
1 1 1  -13    1   21 o   85.280   5.6973   19.544   2.6083   22.978   3.8436   16.612   3.5511   92.185   7.7159   78.376   8.3846 13.80810 11.39463 
1 1 1  -13    1   22 o  427.478   5.7745  494.056   13.337  488.834   18.705  499.458   19.024  425.182   8.1411  429.775   8.1915 -4.593353 11.54895 
1 1 1  -13    1   23 o  599.919   7.5645  973.617   24.522  974.308   34.711  972.929   34.649  600.131   10.704  599.707   10.692 0.4243164 15.12906 
1 1 1  -13    1   24 o  604.614   7.6289  988.515   24.918  1003.29   35.745  974.544   34.755  609.004   10.862  600.224   10.715 8.779358 15.25778 
1 1 1  -13    1   25 o  1036.68   12.499  2912.62   70.016  2913.79   99.096  2911.46   98.938  1036.88   17.686  1036.47   17.665 0.4123535 24.99735 
1 1 1  -13    1   26 o  1476.92   17.633  5926.32  140.729  5929.99  199.156  5922.66  198.884  1477.38   24.947  1476.47   24.928 0.9074707 35.26688 
1 1 1  -13    1   27 o  626.882   7.8941  1062.57   26.736  1075.83   38.272  1049.93   37.364  630.699   11.230  623.066   11.098 7.632507 15.78812 
1 1 1  -13    1   28 o  397.534   5.6156  427.189   12.063  427.095   17.022  427.283   17.097  397.491   7.9249  397.578   7.9582 -0.8685303E-01 11.23111 
1 1 1  -13    1   29 o  588.602   7.5155  936.725   23.899  926.715   33.410  947.214   34.201  585.386   10.562  591.817   10.695 -6.431885 15.03110 
1 1 1  -13    1   30 o  1037.33   12.520  2915.27   70.177  2918.75   99.360  2911.81   99.131  1037.95   17.715  1036.72   17.696 1.231934 25.03919 
1 1 1  -13    1   31 o  573.461   7.4051  889.351   22.946  885.330   32.320  893.438   32.584  572.155   10.454  574.768   10.491 -2.612244 14.81029 
1 1 1  -13    1   32 o  714.002   8.9078  1379.28   34.366  1370.81   48.265  1387.99   48.944  711.782   12.549  716.221   12.646 -4.438721 17.81567 
1 1 1  -13    1   33 o  768.478   9.5156  1598.48   39.513  1606.39   56.145  1590.72   55.618  770.359   13.487  766.597   13.427 3.761780 19.03112 
1 1 1  -13    1   34 o  640.629   8.1581  1109.64   28.224  1085.12   39.095  1136.34   40.788  633.252   11.425  648.005   11.648 -14.75293 16.31610 
1 1 1  -13    1   35 o  607.281   7.8469  996.529   25.724  969.125   35.432  1027.07   37.407  598.476   10.956  616.086   11.236 -17.61035 15.69387 
1 1 1  -13    1   36 o  882.633   10.827  2110.82   51.639  2104.82   72.856  2116.88   73.204  881.375   15.297  883.891   15.327 -2.515930 21.65441 
1 1 1  -13    1   37 o  320.292   5.7478  277.441   9.9474  280.196   14.042  274.665   14.094  321.891   8.0730  318.694   8.1838 3.196228 11.49560 
1 1 1  -13    1   38 o  556.088   7.4262  836.764   22.315  840.696   31.601  832.854   31.516  557.391   10.492  554.784   10.513 2.607544 14.85242 
1 1 1  -13    1   39 o  448.259   6.4480  543.172   15.610  529.193   21.649  558.313   22.530  442.260   9.0587  454.257   9.1786 -11.99698 12.89603 
1 1 1  -13    1   40 o  727.202   9.1646  1433.11   36.012  1435.60   51.084  1430.66   50.776  727.824   12.989  726.581   12.933 1.243347 18.32924 
1 1 1  -13    1   41 o  323.249   5.8135  282.319   10.147  293.350   14.700  272.280   14.024  329.269   8.2619  317.229   8.1810 12.04034 11.62698 
1 1 1  -13    1   42 o  186.453   6.5814   93.992   6.6199   96.585   9.6956   91.728   9.0606  188.850   9.5010  184.057   9.1099 4.792633 13.16287 
1 1 1  -13    1   43 o  362.213   5.8485  355.177   11.446  351.456   16.212  358.877   16.164  360.316   8.3264  364.109   8.2152 -3.793518 11.69693 
1 1 1  -13    1   44 o  473.503   6.7009  605.554   17.106  636.047   25.250  579.686   23.256  484.460   9.6453  462.546   9.3046 21.91364 13.40178 
1 1 1  -13    1   47 o  301.871   7.0567  249.213   10.842  242.342   18.670  252.709   13.317  298.436   11.577  305.305   8.0720 -6.868805 14.11330 
1 1 1  -13    1   48 o  395.258   6.0435  423.752   12.903  435.333   18.570  412.943   17.941  400.467   8.5814  390.048   8.5122 10.41946 12.08708 
1 1 1  -13    1   49 o  244.628   5.6762  162.373   7.5033  163.008   10.638  161.744   10.584  245.104   8.0323  244.153   8.0224 0.9508057 11.35245 
1 1 1  -13    1   50 o  221.379   5.9323  133.155   7.0964  132.275   10.046  134.032   10.026  220.644   8.4258  222.115   8.3532 -1.470917 11.86465 
1 1 1  -13    1   51 f  322.036   5.6525  281.840   9.8331  282.762   14.098  280.967   13.722  322.526   8.0894  321.546   7.8972 0.9798889 11.30498 
1 1 1  -13    1   52 o   41.879   12.680  -0.0432   5.1349  -1.3248   7.4160   1.1371   7.1168   40.564   17.757   43.194   18.107 -2.629799 25.36081 
1 1 1  -13    1   53 o  372.652   5.9178  378.258   11.916  379.898   16.927  376.646   16.778  373.446   8.3882  371.858   8.3497 1.587891 11.83553 
1 1 1  -13    1   54 o  285.789   5.6369  221.654   8.6870  239.922   12.763  205.887   11.857  296.717   7.9604  274.860   7.9832 21.85699 11.27387 
1 1 1  -13    1   55 o   69.798   13.640   14.340   5.3189   13.762   7.6173   14.889   7.4303   68.497   19.592   71.100   18.983 -2.602898 27.28031 
1 1 1  -13    1   56 o   72.398   12.978   15.602   5.1189   13.173   7.3315   17.912   7.1503   66.801   19.255   77.995   17.407 -11.19351 25.95687 
1 1 1  -13    1   57 o  185.310   6.3290   94.416   6.3013   82.318   8.8520  106.846   8.9721  173.082   9.4646  197.539   8.4053 -24.45734 12.65808 
1 1 1  -13    1   58 o   94.220   10.786   25.521   5.3662   27.199   7.5992   23.852   7.5787   98.157   14.327   90.282   16.126 7.875038 21.57145 
1 1 1  -13    1   59 o   45.088   11.892  -1.7285   5.2110 -15.7313   7.4629   11.595   7.2795   27.665   13.668   62.511   19.465 -34.84628 23.78479 
1 1 1  -13    1   60 o   41.340   12.684   0.0402   5.2338  -0.4419   7.1063   0.6116   7.7373   39.837   17.412   42.844   18.449 -3.006878 25.36799 
1 1 1  -13    1   61 o  140.300   7.8627   55.080   5.9600   55.873   8.5222   54.320   8.3382  141.269   11.164  139.330   11.075 1.939133 15.72539 
1 1 1  -13    1   62 o  128.471   8.7896   47.187   6.0121   39.299   8.6575   54.534   8.3554  117.397   13.647  139.546   11.081 -22.14929 17.57929 
1 1 1  -13    1   63 o   70.643   14.224   15.861   5.6889   15.535   7.9228   16.209   8.1737   69.963   19.971   71.322   20.259 -1.359100 28.44712 
1 1 1  -13    1   64 o  158.833   7.9573   71.401   6.8292   71.651   9.6155   71.148   9.7009  159.159   11.180  158.506   11.326 0.6529541 15.91467 
1 1 1  -13    1   65 o  100.402   14.863   30.349   7.4278   24.198   8.9498   43.964   13.315   86.252   19.642  114.553   22.313 -28.30107 29.72664 
1 1 1  -13    1   66 o  138.455   12.039   55.553   8.1779   63.851   15.472   52.336   9.6335  142.461   20.099  134.449   13.260 8.011200 24.07868 
1 1 1  -13    1   67 o  198.545   10.442  113.820   11.203   0.0000   0.0000  113.820   11.203  ?   ?   198.545   10.442      ?      ? 
1 1 1  -13    1   68 o   57.054   15.876   9.7015   7.0733   6.7016   9.0734   14.349   11.294   50.837   20.793   63.272   23.997 -12.43480 31.75186 
1 1 1  -13    1   69 o   53.046   13.408   4.8948   6.4237   20.327   9.0660 -10.6639   9.1032   73.171   21.505   32.920   16.019 40.25041 26.81546 
1 1 1  -13    2    1 f  145.431   3.4427   57.196   2.7035   54.999   3.8396   59.356   3.8072  142.658   4.9808  148.204   4.7540 -5.545090 6.885382 
1 1 1  -13    2    2 o   99.834   5.2059   26.935   2.8084   0.0000   0.0000   26.935   2.8084  ?   ?    99.834   5.2059      ?      ? 
1 1 1  -13    2    3 o  544.069   6.8570  800.440   20.159  795.271   28.363  805.716   28.657  542.295   9.6788  545.843   9.7157 -3.547791 13.71402 
1 1 1  -13    2    4 o  363.386   4.9777  356.946   9.7743  355.348   13.813  358.549   13.833  362.570   7.0501  364.201   7.0291 -1.630219 9.955491 
1 1 1  -13    2    5 o  179.276   3.6219   86.861   3.5075   86.795   5.0275   86.924   4.8957  179.209   5.1917  179.343   5.0517 -0.1339874 7.243852 
1 1 1  -13    2    6 f  693.576   8.5323  1301.67   31.977  1304.32   45.367  1299.05   45.080  694.276   12.093  692.877   12.040 1.398438 17.06462 
1 1 1  -13    2    7 o  516.163   6.5748  720.293   18.334  729.502   26.265  711.542   25.604  519.377   9.3587  512.949   9.2372 6.427124 13.14959 
1 1 1  -13    2    8 o  724.978   8.8858  1421.58   34.794  1394.90   48.314  1450.32   50.148  717.927   12.454  732.029   12.678 -14.10193 17.77151 
1 1 1  -13    2    9 o  1056.58   12.688  3025.79   72.418  2984.64  100.997  3069.34  103.894  1049.22   17.814  1063.95   18.071 -14.73132 25.37500 
1 1 1  -13    2   10 o  201.248   3.7849  109.452   4.1153  106.783   5.7932  112.172   5.8470  198.770   5.3936  203.725   5.3113 -4.955032 7.569737 
1 1 1  -13    2   11 f  802.365   9.7719  1742.32   42.351  1713.30   58.897  1773.39   60.943  795.466   13.702  809.265   13.936 -13.79950 19.54376 
1 1 1  -13    2   12 o  982.393   11.842  2614.74   62.839  2571.07   87.338  2661.60   90.481  973.924   16.595  990.863   16.899 -16.93945 23.68496 
1 1 1  -13    2   13 o  312.467   4.5966  263.913   7.7609  261.596   10.923  266.274   11.029  311.082   6.4982  313.851   6.5029 -2.769012 9.193174 
1 1 1  -13    2   14 o  322.820   4.7086  281.544   8.2108  274.964   11.430  288.561   11.803  318.926   6.6322  326.715   6.6855 -7.789154 9.417124 
1 1 1  -13    2   15 o  527.587   13.504  753.829   38.499   0.0000   0.0000  753.829   38.499  ?   ?   527.587   13.504      ?      ? 
1 1 1  -13    2   17 o  623.831   15.621  1055.18   52.657   0.0000   0.0000  1055.18   52.657  ?   ?   623.831   15.621      ?      ? 
1 1 1  -13    2   18 o  412.334   5.6003  459.774   12.478  457.383   17.586  462.197   17.708  411.255   7.9133  413.413   7.9266 -2.158051 11.20054 
1 1 1  -13    2   19 o  949.209   11.483  2443.09   58.895  2428.20   82.812  2458.33   83.776  946.292   16.195  952.126   16.283 -5.834595 22.96558 
1 1 1  -13    2   20 o  471.416   6.1879  601.045   15.763  600.894   22.309  601.195   22.275  471.357   8.7588  471.476   8.7434 -0.1188354 12.37589 
1 1 1  -13    2   21 o  365.369   5.1966  360.676   10.255  368.922   14.784  353.029   14.237  369.389   7.4065  361.349   7.2913 8.040100 10.39325 
1 1 1  -13    2   22 o  437.794   5.8730  518.114   13.891  525.820   19.887  510.772   19.411  440.970   8.3461  434.617   8.2651 6.352448 11.74598 
1 1 1  -13    2   23 f  556.250   7.1051  835.995   21.339  858.290   30.938  815.764   29.472  563.309   10.164  549.190   9.9310 14.11871 14.21018 
1 1 1  -13    2   24 o  630.558   7.9093  1075.64   26.949  1076.09   38.123  1075.20   38.101  630.689   11.186  630.428   11.184 0.2614746 15.81852 
1 1 1  -13    2   25 o   56.591   9.6234   9.0038   2.9037   9.3017   4.2251   8.7372   3.9972   57.475   13.782   55.707   13.435 1.767773 19.24677 
1 1 1  -13    2   26 o  1047.22   12.620  2971.20   71.412  2981.38  101.362  2961.16  100.625  1048.99   17.882  1045.44   17.812 3.550537 25.23958 
1 1 1  -13    2   27 o  591.433   7.5235  945.933   24.045  945.708   33.984  946.159   34.024  591.363   10.635  591.504   10.645 -0.1405029 15.04708 
1 1 1  -13    2   28 o  846.046   10.330  1937.14   47.227  1944.53   67.025  1929.85   66.556  847.647   14.633  844.446   14.586 3.201538 20.66068 
1 1 1  -13    2   29 o  280.241   4.8922  212.268   7.4082  214.559   10.505  210.001   10.449  281.745   6.8998  278.736   6.9375 3.009521 9.784437 
1 1 1  -13    2   30 o  445.412   6.1203  536.367   14.730  535.237   20.765  537.511   20.899  444.941   8.6367  445.884   8.6741 -0.9429932 12.24059 
1 1 1  -13    2   31 o  988.727   11.975  2647.84   63.979  2634.21   89.999  2661.77   90.969  986.161   16.889  991.294   16.983 -5.132751 23.95084 
1 1 1  -13    2   32 o  864.274   10.574  2022.38   49.382  2023.51   69.863  2021.24   69.811  864.516   14.955  864.031   14.952 0.4855347 21.14767 
1 1 1  -13    2   33 o  362.525   5.5794  355.308   10.930  357.021   15.509  353.618   15.406  363.393   7.8979  361.657   7.8831 1.735565 11.15890 
1 1 1  -13    2   34 o  499.190   6.7485  673.999   18.204  672.558   25.693  675.452   25.795  498.655   9.5352  499.726   9.5526 -1.070587 13.49709 
1 1 1  -13    2   35 o  334.878   7.8824  303.217   14.264  303.217   14.264   0.0000   0.0000  334.878   7.8824  ?   ?       ?      ? 
1 1 1  -13    2   36 o  156.531   6.9992   66.301   5.9180   65.269   8.4411   67.299   8.2994  155.329   10.057  157.732   9.7373 -2.403534 13.99839 
1 1 1  -13    2   37 o  118.069   9.3988   37.415   5.9693   33.751   8.0124   41.985   8.9488  111.632   13.283  124.506   13.301 -12.87410 18.79758 
1 1 1  -13    2   38 o  118.696   9.5534   38.709   6.0075   30.128   8.5336   47.141   8.4586  105.432   14.979  131.960   11.862 -26.52727 19.10681 
1 1 1  -13    2   39 o  153.374   7.7446   63.647   6.4163   61.505   8.9529   65.909   9.2002  150.721   10.993  156.026   10.912 -5.305222 15.48922 
1 1 1  -13    2   40 o  160.497   7.4473   69.576   6.4421   77.017   9.3378   62.818   8.8990  168.676   10.245  152.319   10.812 16.35660 14.89469 
1 1 1  -13    2   41 o  508.177   6.9734  698.326   19.132  679.344   26.380  719.389   27.788  500.914   9.7458  515.440   9.9766 -14.52649 13.94680 
1 1 1  -13    2   42 o  494.761   6.8322  662.670   18.260  650.229   25.441  675.891   26.225  489.980   9.6088  499.542   9.7154 -9.561737 13.66447 
1 1 1  -13    2   43 o  557.681   7.4140  842.729   22.338  833.379   31.231  852.522   31.964  554.525   10.423  560.837   10.547 -6.311829 14.82809 
1 1 1  -13    2   44 o  215.570   7.4801  124.464   8.3716  131.577   14.105  120.596   10.402  220.163   11.856  210.977   9.1242 9.186066 14.96027 
1 1 1  -13    2   47 f  136.156   9.3711   47.865   6.6631   61.509   11.356   40.702   8.2284  150.088   14.002  122.225   12.459 27.86243 18.74225 
1 1 1  -13    2   48 o  438.560   6.3830  522.271   15.125  516.005   21.199  528.768   21.586  435.888   9.0003  441.232   9.0535 -5.344055 12.76604 
1 1 1  -13    2   49 o  136.300   8.2425   51.313   5.9538   62.558   8.4036   39.980   8.4364  151.630   10.256  120.970   12.906 30.65967 16.48503 
1 1 1  -13    2   50 o  296.972   5.6822  239.544   9.1174  235.489   12.893  243.600   12.895  294.445   8.1031  299.499   7.9679 -5.054291 11.36432 
1 1 1  -13    2   51 f  184.785   6.2575   92.640   6.2383   99.398   9.1144   86.685   8.5564  191.107   8.8260  178.462   8.8728 12.64600 12.51498 
1 1 1  -13    2   52 o   85.501   11.454   20.607   5.1783   18.329   7.2084   23.036   7.4438   79.719   17.236   91.283   15.091 -11.56409 22.90853 
1 1 1  -13    2   53 o  290.543   5.6365  229.800   8.8492  230.732   12.550  228.879   12.479  291.127   7.9777  289.959   7.9647 1.167969 11.27300 
1 1 1  -13    2   54 o  252.550   5.6796  173.818   7.7499  175.713   11.072  171.997   10.852  253.889   8.0702  251.210   7.9941 2.678711 11.35929 
1 1 1  -13    2   55 o  242.872   5.8397  160.774   7.6508  148.018   10.622  174.523   11.029  232.820   8.4434  252.923   8.0694 -20.10339 11.67933 
1 1 1  -13    2   56 o  228.186   5.7153  142.249   7.0445  144.175   10.129  140.445   9.8039  229.656   8.1620  226.716   8.0025 2.939499 11.43062 
1 1 1  -13    2   57 o   39.051   12.078  -0.8023   4.8378  -1.0877   7.0519  -0.5486   6.6493   39.261   17.247   38.841   16.913 0.4195747 24.15620 
1 1 1  -13    2   58 o  209.307   6.0420  120.270   6.8154  109.011   9.5283  132.064   9.7524  199.155   8.8539  219.459   8.2237 -20.30397 12.08394 
1 1 1  -13    2   59 o  142.675   7.6842   56.438   5.9197   59.495   8.5391   53.610   8.2140  146.415   10.793  138.934   10.941 7.480515 15.36847 
1 1 1  -13    2   60 o  186.613   6.5322   96.227   6.5816   95.687   9.4852   96.729   9.1399  186.018   9.4364  187.208   9.0350 -1.189819 13.06432 
1 1 1  -13    2   61 o   82.856   12.354   20.532   5.5084   13.341   7.5442   28.743   8.0618   65.784   19.688   99.928   14.930 -34.14407 24.70859 
1 1 1  -13    2   62 o   87.116   12.555   22.885   5.8078   27.109   8.2603   18.755   8.1674   96.623   15.821   77.609   19.500 19.01344 25.11030 
1 1 1  -13    2   63 o  226.156   6.2236  141.984   7.5967  140.124   10.967  143.699   10.533  224.570   9.0378  227.742   8.5586 -3.171387 12.44712 
1 1 1  -13    2   64 o  133.164   10.959   51.006   7.4526   48.337   9.0759   56.532   13.058  129.645   12.955  136.682   17.680 -7.037018 21.91855 
1 1 1  -13    2   65 o   78.295   16.711   20.057   7.3873   16.315   9.1027   27.275   12.643   69.638   21.780   86.951   25.350 -17.31370 33.42167 
1 1 1  -13    2   66 o   70.916   16.725   17.376   7.4779   13.394   13.667   19.077   8.9337   65.862   26.005   75.971   21.041 -10.10931 33.45060 
1 1 1  -13    2   67 o   39.630   13.009  -5.6940   7.3044 -23.4234   12.833   2.8033   8.8841   34.572   17.224   44.688   19.502 -10.11603 26.01882 
1 1 1  -13    2   68 o  106.902   11.744   36.138   6.5833   32.505   9.4059   39.627   9.2174   99.848   18.099  113.955   14.969 -14.10661 23.48736 
1 1 1  -13    2   69 o  156.225   10.364   76.708   8.2538   77.555   10.239   75.135   13.948  161.326   11.745  151.124   17.080 10.20219 20.72896 
1 1 1  -13    3    1 o  448.974   8.2661  545.014   20.055   0.0000   0.0000  545.014   20.055  ?   ?   448.974   8.2661      ?      ? 
1 1 1  -13    3    2 o  350.749   4.8766  332.555   9.2427  330.717   13.064  334.397   13.079  349.778   6.9117  351.719   6.8814 -1.941132 9.753218 
1 1 1  -13    3    3 o  466.592   6.0481  588.661   15.249  587.897   21.596  589.420   21.535  466.290   8.5710  466.895   8.5356 -0.6048889 12.09624 
1 1 1  -13    3    4 o  422.954   7.9002  483.648   18.056   0.0000   0.0000  483.648   18.056  ?   ?   422.954   7.9002      ?      ? 
1 1 1  -13    3    5 o  457.511   5.9593  565.864   14.731  571.323   21.054  560.629   20.617  459.670   8.4760  455.352   8.3791 4.318573 11.91859 
1 1 1  -13    3    6 o  254.912   4.0846  175.600   5.6256  177.262   8.0341  174.002   7.8797  256.094   5.8056  253.730   5.7471 2.364838 8.169126 
1 1 1  -13    3    7 o  851.059   10.324  1961.30   47.476  1947.64   66.707  1975.32   67.583  848.062   14.557  854.056   14.644 -5.993713 20.64809 
1 1 1  -13    3    8 o  646.305   8.0128  1129.47   27.971  1108.60   38.846  1151.95   40.309  640.115   11.230  652.494   11.432 -12.37964 16.02569 
1 1 1  -13    3    9 o  120.454   3.9043   39.257   2.5374   38.306   3.6643   40.134   3.5171  119.048   5.6961  121.859   5.3413 -2.810623 7.808646 
1 1 1  -13    3   10 o  712.825   8.7625  1374.15   33.732  1344.83   46.728  1406.05   48.744  704.906   12.267  720.745   12.516 -15.83942 17.52508 
1 1 1  -13    3   11 o  320.558   4.6740  276.841   8.0810  262.726   11.022  293.244   11.883  311.755   6.5429  329.361   6.6765 -17.60577 9.348027 
1 1 1  -13    3   12 o  468.153   6.1100  592.119   15.447  577.246   21.389  608.332   22.332  462.018   8.5674  474.288   8.7137 -12.26996 12.21998 
1 1 1  -13    3   13 o  817.820   9.9621  1811.41   44.023  1800.73   61.897  1822.35   62.624  815.387   14.048  820.254   14.129 -4.867432 19.92417 
1 1 1  -13    3   14 o  331.988   6.8173  297.828   12.222  306.531   17.681  289.865   16.913  336.625   9.7201  327.352   9.5614 9.272888 13.63451 
1 1 1  -13    3   15 o  256.412   8.6475  177.815   11.982   0.0000   0.0000  177.815   11.982  ?   ?   256.412   8.6475      ?      ? 
1 1 1  -13    3   17 o  538.123   9.7232  784.572   28.273  784.459   39.995  784.685   39.974  538.084   13.755  538.162   13.746 -0.7818604E-01 19.44635 
1 1 1  -13    3   18 o  829.508   10.116  1863.43   45.324  1830.11   62.944  1899.31   65.317  821.834   14.174  837.182   14.438 -15.34717 20.23254 
1 1 1  -13    3   19 o  548.201   6.9973  813.007   20.727  816.666   29.463  809.421   29.165  549.420   9.9238  546.982   9.8673 2.438171 13.99452 
1 1 1  -13    3   20 o  552.215   7.0482  824.971   21.032  823.626   29.713  826.323   29.774  551.764   9.9655  552.666   9.9697 -0.9024048 14.09633 
1 1 1  -13    3   21 o  290.620   4.6226  228.007   7.2539  236.648   10.509  220.141   10.026  295.872   6.5728  285.368   6.5016 10.50342 9.245153 
1 1 1  -13    3   22 o  107.044   5.3949   30.961   3.1184   32.634   4.4646   29.368   4.3575  109.867   7.5202  104.222   7.7373 5.645569 10.78976 
1 1 1  -13    3   23 o  544.789   6.9880  802.675   20.571  798.318   28.953  807.117   29.233  543.297   9.8620  546.281   9.9030 -2.983643 13.97602 
1 1 1  -13    3   24 o  440.308   5.9458  524.182   14.147  522.506   20.004  525.859   20.009  439.603   8.4211  441.012   8.3961 -1.408966 11.89160 
1 1 1  -13    3   25 o  264.008   4.5977  188.084   6.5529  181.496   9.0282  195.420   9.5262  259.131   6.4476  268.886   6.5564 -9.754333 9.195480 
1 1 1  -13    3   26 f  852.684   10.406  1965.40   47.896  1913.78   65.950  2023.02   69.672  840.873   14.514  864.495   14.915 -23.62170 20.81134 
1 1 1  -13    3   27 o  1382.05   16.514  5182.56  123.329  5166.55  173.871  5198.77  174.962  1379.92   23.318  1384.19   23.392 -4.276611 33.02848 
1 1 1  -13    3   28 o  663.967   8.3170  1192.43   29.840  1192.63   42.201  1192.23   42.200  664.023   11.761  663.912   11.763 0.1110229 16.63400 
1 1 1  -13    3   29 o  491.120   6.5426  652.121   17.362  656.467   24.683  647.865   24.427  492.739   9.2703  489.501   9.2349 3.237732 13.08516 
1 1 1  -13    3   30 o  811.796   9.9643  1783.26   43.703  1763.48   61.131  1803.93   62.502  807.202   14.015  816.390   14.168 -9.188049 19.92869 
1 1 1  -13    3   31 o  901.572   10.988  2200.85   53.530  2204.41   75.806  2197.31   75.599  902.298   15.548  900.846   15.530 1.452576 21.97549 
1 1 1  -13    3   32 f  246.715   5.2141  164.535   6.9499  164.211   9.7259  164.874   9.9346  246.468   7.3026  246.963   7.4445 -0.4942627 10.42826 
1 1 1  -13    3   33 f  909.361   11.103  2240.18   54.558  2248.41   77.464  2232.07   76.855  911.013   15.736  907.708   15.669 3.305115 22.20638 
1 1 1  -13    3   34 o  757.569   9.4153  1553.75   38.540  1540.22   54.063  1567.73   54.954  754.222   13.265  760.916   13.365 -6.693359 18.83065 
1 1 1  -13    3   35 o  341.385   8.0458  315.123   14.842  315.123   14.842   0.0000   0.0000  341.385   8.0458  ?   ?       ?      ? 
1 1 1  -13    3   36 o  534.461   7.1706  772.789   20.709  771.269   29.222  774.323   29.352  533.934   10.128  534.988   10.153 -1.054504 14.34125 
1 1 1  -13    3   37 o  491.148   6.8097  652.505   18.072  645.802   25.376  659.403   25.742  488.590   9.6116  493.706   9.6490 -5.115692 13.61931 
1 1 1  -13    3   38 o  530.182   7.1714  760.534   20.545  754.014   28.883  767.211   29.229  527.883   10.125  532.480   10.158 -4.596863 14.34280 
1 1 1  -13    3   39 o  188.299   6.7297   95.925   6.8438   96.759   9.8590   95.150   9.5078  189.084   9.6492  187.514   9.3833 1.570023 13.45930 
1 1 1  -13    3   40 o  593.654   7.7842  953.395   24.953  977.601   36.130  931.319   34.504  600.837   11.128  586.471   10.888 14.36646 15.56840 
1 1 1  -13    3   41 o  349.781   5.8397  330.975   11.036  337.505   15.782  324.728   15.437  353.155   8.2701  346.407   8.2471 6.747437 11.67946 
1 1 1  -13    3   42 o  356.037   5.8788  343.086   11.309  334.649   15.912  351.698   16.075  351.610   8.3746  360.465   8.2528 -8.854980 11.75767 
1 1 1  -13    3   43 o  648.432   8.3407  1140.19   29.216  1157.77   41.950  1123.63   40.714  653.264   11.884  643.599   11.707 9.664917 16.68146 
1 1 1  -13    3   44 o  606.361   11.224  1001.51   36.761  1024.10   52.899  980.405   51.124  612.938   15.971  599.784   15.774 13.15308 22.44765 
1 1 1  -13    3   46 o  544.972   14.910  810.811   43.907  810.811   43.907   0.0000   0.0000  544.972   14.910  ?   ?       ?      ? 
1 1 1  -13    3   47 o  176.418   8.3231   82.134   7.3555   91.712   13.483   78.076   8.7766  183.283   13.614  169.553   9.5793 13.72971 16.64622 
1 1 1  -13    3   48 o  312.540   5.6995  265.013   9.6212  265.165   13.821  264.869   13.401  312.607   8.1820  312.472   7.9368 0.1351318 11.39903 
1 1 1  -13    3   49 o  254.347   5.7359  175.175   7.8722  183.115   11.517  168.211   10.785  259.731   8.2056  248.963   8.0170 10.76794 11.47184 
1 1 1  -13    3   50 o  295.526   5.6800  237.153   9.0644  239.598   13.090  234.900   12.564  296.963   8.1573  294.087   7.9063 2.875916 11.36006 
1 1 1  -13    3   51 o  323.899   5.6876  285.146   9.9514  286.993   14.276  283.399   13.879  324.897   8.1313  322.901   7.9546 1.997040 11.37512 
1 1 1  -13    3   52 o  428.526   6.3058  500.228   14.601  502.587   20.731  497.906   20.570  429.523   8.9318  427.530   8.9037 1.993774 12.61159 
1 1 1  -13    3   53 o  142.454   7.3731   55.560   5.6615   50.517   7.9130   60.849   8.1036  135.766   10.786  149.142   10.055 -13.37595 14.74611 
1 1 1  -13    3   54 o  153.863   7.0474   64.867   5.8572   63.228   8.3148   66.481   8.2523  151.900   10.130  155.827   9.8004 -3.927490 14.09482 
1 1 1  -13    3   55 o  202.709   6.0106  112.228   6.5824  109.024   9.2465  115.519   9.3728  199.760   8.5660  205.658   8.4340 -5.898758 12.02123 
1 1 1  -13    3   56 o   69.753   13.335   14.458   5.1471   14.989   7.3447   13.946   7.2153   70.969   18.838   68.536   18.880 2.432953 26.67089 
1 1 1  -13    3   57 o   43.779   12.304   1.2377   4.9181  -6.1378   7.2365   7.5686   6.7045   34.122   15.927   53.436   18.759 -19.31410 24.60819 
1 1 1  -13    3   58 o   90.900   11.049   23.742   5.2657   28.305   7.7146   19.762   7.2052  100.119   14.260   81.679   16.883 18.44004 22.09883 
1 1 1  -13    3   59 o  128.846   8.5922   46.429   5.7752   63.442   8.5170   31.948   7.8575  151.292   10.418  106.400   13.666 44.89260 17.18443 
1 1 1  -13    3   60 o  106.818   9.7315   32.486   5.5795   28.238   7.8622   36.795   7.9194   99.425   14.634  114.211   12.832 -14.78632 19.46307 
1 1 1  -13    3   61 o   73.610   13.893   16.804   5.6339   18.677   8.2281   15.151   7.7302   77.414   19.639   69.805   19.657 7.609047 27.78655 
1 1 1  -13    3   62 o  211.964   6.3494  124.017   7.2533  128.707   10.725  120.063   9.8468  215.517   9.2091  208.411   8.7435 7.106430 12.69870 
1 1 1  -13    3   63 o  101.772   11.446   30.560   6.2934   30.932   8.8543   30.179   8.9468  102.506   15.985  101.039   16.387 1.467377 22.89218 
1 1 1  -13    3   64 o  256.572   7.6891  186.367   10.058  186.547   12.364  186.014   17.296  258.727   8.8433  254.416   12.581 4.310928 15.37819 
1 1 1  -13    3   65 o  154.061   10.513   71.579   8.1054   65.788   13.995   74.502   9.9428  146.509   17.677  161.612   11.385 -15.10294 21.02646 
1 1 1  -13    3   66 o   71.213   15.508   16.971   6.5348   16.907   9.8274   17.022   8.7494   70.783   22.691   71.643   21.146 -0.8602142 31.01686 
1 1 1  -13    3   67 o  115.364   10.654   41.472   6.6394   41.863   9.3085   41.068   9.4726  116.156   14.830  114.572   15.300 1.583862 21.30824 
1 1 1  -13    3   68 o  137.491   12.712   64.321   8.0653   49.279   13.862   72.019   9.9166  117.898   22.581  157.083   11.683 -39.18528 25.42415 
1 1 1  -13    4    1 o  186.687   5.4027   94.194   5.4502   94.194   5.4502   0.0000   0.0000  186.687   5.4027  ?   ?       ?      ? 
1 1 1  -13    4    2 o  803.334   9.7821  1747.16   42.463  1739.91   59.841  1754.50   60.264  801.659   13.814  805.009   13.854 -3.349915 19.56423 
1 1 1  -13    4    3 o  533.122   9.5662  768.669   27.558   0.0000   0.0000  768.669   27.558  ?   ?   533.122   9.5662      ?      ? 
1 1 1  -13    4    4 o  656.114   8.1344  1164.53   28.835  1176.45   41.251  1153.14   40.321  659.390   11.577  652.838   11.430 6.552002 16.26880 
1 1 1  -13    4    5 f  614.001   7.6622  1019.75   25.419  1028.13   36.288  1011.67   35.617  616.474   10.893  611.528   10.778 4.946167 15.32445 
1 1 1  -13    4    6 o  969.727   11.691  2548.36   61.262  2550.58   86.727  2546.16   86.549  970.146   16.544  969.308   16.524 0.8387451 23.38222 
1 1 1  -13    4    7 o  606.653   7.5875  995.514   24.871  986.438   34.919  1004.86   35.433  603.849   10.702  609.457   10.759 -5.607727 15.17500 
1 1 1  -13    4    8 o  559.039   7.0680  844.532   21.337  824.076   29.528  866.887   30.867  551.967   9.8998  566.111   10.090 -14.14398 14.13590 
1 1 1  -13    4    9 o  606.743   7.5928  995.515   24.886  978.691   34.668  1013.40   35.746  601.462   10.667  612.024   10.809 -10.56183 15.18560 
1 1 1  -13    4   10 o  613.963   7.6766  1019.44   25.461  1002.67   35.485  1037.23   36.553  608.766   10.787  619.159   10.925 -10.39325 15.35328 
1 1 1  -13    4   11 o  523.857   6.7054  742.209   18.980  736.516   26.692  748.032   26.996  521.826   9.4659  525.888   9.4998 -4.061462 13.41082 
1 1 1  -13    4   12 f  684.206   8.4603  1266.95   31.276  1276.22   44.608  1257.97   43.864  686.663   12.022  681.748   11.907 4.915649 16.92053 
1 1 1  -13    4   13 o  425.249   8.0884  489.395   18.586  486.261   26.206  492.568   26.365  423.879   11.441  426.619   11.436 -2.740021 16.17688 
1 1 1  -13    4   14 o  181.519   5.6385   89.084   5.5249   89.414   8.0045   88.784   7.6353  181.837   8.1464  181.202   7.7978 0.6356659 11.27695 
1 1 1  -13    4   16 o  247.553   8.3003  165.743   11.103   0.0000   0.0000  165.743   11.103  ?   ?   247.553   8.3003      ?      ? 
1 1 1  -13    4   17 o  534.434   8.3802  773.299   22.852  773.351   28.035  773.198   39.449  534.640   9.7041  534.227   13.665 0.4124756 16.76042 
1 1 1  -13    4   18 o  601.577   7.5760  979.285   24.627  974.324   34.707  984.315   34.950  600.043   10.704  603.110   10.724 -3.066772 15.15200 
1 1 1  -13    4   19 o  273.598   4.4596  202.281   6.5919  197.251   9.2281  207.521   9.4195  270.126   6.3221  277.070   6.2915 -6.943970 8.919132 
1 1 1  -13    4   20 o  360.645   5.1611  351.669   10.057  349.191   14.254  354.125   14.193  359.378   7.3401  361.911   7.2574 -2.532867 10.32215 
1 1 1  -13    4   21 o  1009.06   12.183  2760.15   66.419  2730.22   92.923  2791.43   94.971  1003.49   17.137  1014.64   17.322 -11.14752 24.36615 
1 1 1  -13    4   22 o  424.210   5.7746  486.554   13.237  486.806   18.788  486.306   18.652  424.319   8.1940  424.102   8.1389 0.2162781 11.54916 
1 1 1  -13    4   23 o  326.091   4.9147  287.429   8.6599  285.285   12.196  289.609   12.298  324.865   6.9476  327.317   6.9533 -2.452576 9.829444 
1 1 1  -13    4   24 o  262.198   4.5441  185.828   6.4378  184.900   9.1423  186.741   9.0671  261.547   6.4687  262.848   6.3837 -1.300476 9.088230 
1 1 1  -13    4   25 o  499.703   6.5653  675.129   17.727  678.837   25.235  671.517   24.908  501.056   9.3201  498.350   9.2493 2.705963 13.13068 
1 1 1  -13    4   26 o  394.240   5.5862  419.746   11.892  430.359   17.211  410.050   16.451  399.002   7.9828  389.477   7.8166 9.524445 11.17247 
1 1 1  -13    4   27 o  1037.56   12.517  2915.61   70.175  2926.74   99.647  2904.66   98.841  1039.52   17.740  1035.60   17.663 3.917358 25.03328 
1 1 1  -13    4   28 o  1165.76   14.000  3683.72   88.192  3674.98  124.473  3692.52  124.973  1164.37   19.783  1167.14   19.816 -2.768799 28.00047 
1 1 1  -13    4   29 o  695.426   8.6696  1308.35   32.579  1304.32   45.960  1312.41   46.188  694.352   12.249  696.500   12.272 -2.148560 17.33927 
1 1 1  -13    4   30 o  400.036   5.7673  432.168   12.459  419.996   17.250  445.442   18.014  394.156   8.0992  405.917   8.2129 -11.76144 11.53464 
1 1 1  -13    4   31 o  414.802   5.9235  465.147   13.275  463.736   18.592  466.613   18.961  414.162   8.3075  415.441   8.4463 -1.278442 11.84709 
1 1 1  -13    4   32 o  438.889   6.1745  520.278   14.635  536.851   21.152  505.060   20.269  445.584   8.7849  432.194   8.6789 13.39038 12.34898 
1 1 1  -13    4   33 o  1229.84   14.785  4106.93   98.253  4121.78  139.492  4092.31  138.415  1232.03   20.953  1227.65   20.865 4.385986 29.56982 
1 1 1  -13    4   34 o  576.568   7.5181  899.191   23.419  888.178   32.756  910.707   33.497  572.961   10.580  580.175   10.685 -7.213318 15.03629 
1 1 1  -13    4   35 f  350.411   5.7884  331.892   10.957  327.565   15.256  336.501   15.745  348.056   8.1117  352.766   8.2598 -4.710693 11.57689 
1 1 1  -13    4   36 o  474.685   6.6435  609.430   17.039  604.023   23.889  615.029   24.310  472.544   9.3554  476.826   9.4350 -4.281097 13.28691 
1 1 1  -13    4   37 o  910.576   11.168  2246.28   54.920  2203.38   76.142  2292.79   79.292  901.554   15.630  919.599   15.957 -18.04510 22.33602 
1 1 1  -13    4   38 o  723.628   9.1135  1418.02   35.627  1398.94   49.732  1438.13   51.064  718.642   12.807  728.614   12.970 -9.971741 18.22697 
1 1 1  -13    4   39 o  478.310   6.7279  617.877   17.367  595.101   23.833  643.662   25.358  468.940   9.4054  487.680   9.6227 -18.73938 13.45576 
1 1 1  -13    4   40 o  343.397   5.8870  319.008   10.923  317.341   15.332  320.727   15.566  342.488   8.2842  344.306   8.3666 -1.818024 11.77406 
1 1 1  -13    4   41 o  201.504   6.3267  109.880   6.8859  111.337   9.9108  108.520   9.5742  202.791   9.0442  200.217   8.8494 2.573471 12.65344 
1 1 1  -13    4   42 o  271.236   5.7710  199.082   8.4536  208.477   12.057  189.999   11.855  277.535   8.0399  264.937   8.2810 12.59845 11.54192 
1 1 1  -13    4   43 o  413.780   7.5619  460.634   15.879  474.549   27.906  453.972   19.310  418.126   12.351  409.433   8.7279 8.692657 15.12379 
1 1 1  -13    4   44 o  339.098   8.2851  312.203   15.180  307.207   21.317  317.342   21.622  336.345   11.729  341.851   11.705 -5.506714 16.57024 
1 1 1  -13    4   46 o  263.609   8.2587  187.896   11.707  215.991   17.231  163.806   15.956  281.859   11.314  245.359   12.034 36.50021 16.51745 
1 1 1  -13    4   47 o  201.951   7.5650  111.423   7.7820  109.505   13.414  112.397   9.5543  200.401   12.387  203.501   8.6884 -3.100479 15.13010 
1 1 1  -13    4   48 o  178.041   6.4683   86.294   6.2056   82.991   9.0122   89.272   8.5575  174.752   9.5438  181.330   8.7335 -6.578033 12.93668 
1 1 1  -13    4   49 o  371.904   5.9188  375.632   11.893  370.453   16.848  380.776   16.792  369.332   8.4418  374.475   8.2985 -5.143036 11.83761 
1 1 1  -13    4   50 o  491.977   6.8630  658.940   18.235  671.245   26.304  647.553   25.303  496.354   9.8070  487.600   9.6034 8.754456 13.72596 
1 1 1  -13    4   51 o  151.972   7.1534   63.608   5.8163   57.078   8.5467   69.242   7.9380  144.511   10.945  159.433   9.2139 -14.92166 14.30678 
1 1 1  -13    4   52 o  166.470   6.6761   75.003   5.9778   81.720   8.9987   69.698   7.9973  173.059   9.6228  159.882   9.2567 13.17720 13.35229 
1 1 1  -13    4   53 o   51.319   13.342   5.5357   4.9656   9.2095   7.4187   2.5539   6.6836   58.477   19.762   44.162   17.929 14.31429 26.68301 
1 1 1  -13    4   54 o  331.541   5.6972  299.738   10.205  297.879   14.536  301.544   14.330  330.496   8.1395  332.585   7.9737 -2.089355 11.39435 
1 1 1  -13    4   55 o  144.320   7.0158   57.128   5.4677   57.772   7.8933   56.534   7.5812  145.068   10.069  143.572   9.7720 1.496078 14.03152 
1 1 1  -13    4   56 o   68.269   12.273   13.938   4.9114   6.3231   7.1061   20.903   6.7958   51.558   19.143   84.980   15.365 -33.42190 24.54638 
1 1 1  -13    4   57 o  130.186   7.6439   46.946   5.3630   45.699   7.8098   48.059   7.3776  128.422   11.254  131.951   10.347 -3.528549 15.28778 
1 1 1  -13    4   58 o   45.134   12.956   3.1189   4.9331   2.7714   7.2198   3.4232   6.7561   45.108   18.510   45.161   18.133 -0.5363846E-01 25.91216 
1 1 1  -13    4   59 o   91.586   11.164   24.396   5.3653   28.120   7.6886   20.861   7.4906   99.556   14.292   83.616   17.154 15.93990 22.32728 
1 1 1  -13    4   60 o   47.881   12.489   0.3363   5.3894   13.069   7.8598 -10.9635   7.4042   65.416   20.202   30.345   14.691 35.07155 24.97897 
1 1 1  -13    4   61 o  112.975   10.042   37.270   5.9853   29.940   8.7478   43.722   8.2071  101.479   15.953  124.470   12.202 -22.99105 20.08425 
1 1 1  -13    4   62 o   81.750   13.373   20.656   5.8890   27.290   8.5493   14.667   8.1235   95.086   17.275   68.415   20.420 26.67158 26.74687 
1 1 1  -13    4   63 o   55.786   14.280   6.2986   7.0409   16.504   8.7562 -12.3716   11.843   71.540   21.165   40.031   19.174 31.50836 28.55902 
1 1 1  -13    4   64 o  106.788   14.435   42.527   7.5142   21.590   12.813   53.503   9.2771   77.395   25.972  136.181   12.607 -58.78628 28.87009 
1 1 1  -13    4   65 o  128.456   12.002   45.488   7.9349   67.523   14.050   35.169   9.6150  148.818   17.472  108.095   16.461 40.72291 24.00484 
1 1 1  -13    4   66 f  205.964   7.0914  119.782   7.8834  117.384   11.346  122.020   10.962  203.725   10.306  208.204   9.7433 -4.479248 14.18279 
1 1 1  -13    4   67 o  139.120   9.1535   58.435   6.8384   53.058   9.8350   63.467   9.5150  131.941   13.794  146.300   12.036 -14.35886 18.30709 
1 1 1  -13    4   68 o   63.124   14.994   14.105   6.4342   8.0684   9.3106   19.624   8.9019   52.460   21.209   73.789   21.202 -21.32886 29.98891 
1 1 1  -13    5    2 o  313.490   4.6400  265.586   7.8581  268.436   11.265  262.886   10.967  315.126   6.6157  311.854   6.5078 3.272308 9.280018 
1 1 1  -13    5    3 o  363.564   5.0849  357.312   9.9884  358.574   14.248  356.093   14.007  364.194   7.2399  362.935   7.1420 1.259033 10.16977 
1 1 1  -13    5    4 o  435.087   5.7857  511.715   13.599  517.165   19.500  506.554   18.975  437.340   8.2513  432.835   8.1126 4.504578 11.57142 
1 1 1  -13    5    5 o  846.315   10.289  1939.77   47.053  1929.88   66.243  1949.84   66.848  844.142   14.522  848.488   14.580 -4.345947 20.57840 
1 1 1  -13    5    6 o  109.745   5.9144   32.554   3.5074   0.0000   0.0000   32.554   3.5074  ?   ?   109.745   5.9144      ?      ? 
1 1 1  -13    5    7 o  569.292   7.1993  876.630   22.145  881.851   31.570  871.572   31.071  570.957   10.233  567.627   10.130 3.330444 14.39863 
1 1 1  -13    5    8 o  726.263   8.9320  1427.78   35.053  1430.60   49.726  1425.00   49.420  726.973   12.658  725.553   12.605 1.419739 17.86397 
1 1 1  -13    5    9 o  378.995   5.2534  388.183   10.757  379.557   15.034  397.229   15.396  374.684   7.4256  383.306   7.4332 -8.622742 10.50680 
1 1 1  -13    5   10 o  723.532   8.9080  1416.44   34.814  1391.91   48.429  1442.68   50.083  717.064   12.499  730.001   12.696 -12.93652 17.81596 
1 1 1  -13    5   11 o  331.107   4.8615  295.143   8.6780  278.308   11.793  315.027   12.816  320.854   6.8017  341.360   6.9479 -20.50610 9.723009 
1 1 1  -13    5   12 o  312.025   6.6639  263.188   11.232  256.306   15.652  270.496   16.129  307.823   9.4095  316.228   9.4389 -8.404694 13.32786 
1 1 1  -13    5   13 o  910.130   15.659  2252.34   76.999  2226.58  107.700  2279.28  110.128  904.839   22.027  915.421   22.263 -10.58185 31.31835 
1 1 1  -13    5   15 o  708.621   17.503  1362.84   67.020   0.0000   0.0000  1362.84   67.020  ?   ?   708.621   17.503      ?      ? 
1 1 1  -13    5   16 o  267.190   6.2062  192.906   8.9534  182.387   12.463  204.122   12.870  259.668   8.8824  274.712   8.6700 -15.04385 12.41237 
1 1 1  -13    5   17 o  252.519   4.3773  172.179   5.9685  163.335   8.2984  181.658   8.5907  245.807   6.2476  259.231   6.1327 -13.42398 8.754543 
1 1 1  -13    5   18 o  261.435   4.4115  184.669   6.2302  178.313   8.7119  191.323   8.9131  256.832   6.2773  266.038   6.2000 -9.206146 8.823021 
1 1 1  -13    5   19 o  326.916   4.8987  288.712   8.6482  294.865   12.502  283.066   11.976  330.251   7.0056  323.581   6.8491 6.670441 9.797388 
1 1 1  -13    5   20 f  577.549   7.3393  902.376   22.904  905.412   32.572  899.406   32.214  578.506   10.419  576.591   10.339 1.915955 14.67864 
1 1 1  -13    5   21 o  376.622   5.3448  383.442   10.877  378.515   15.301  388.474   15.464  374.176   7.5677  379.068   7.5496 -4.891327 10.68953 
1 1 1  -13    5   22 o  359.112   5.1835  348.627   10.059  346.402   14.214  350.859   14.236  357.964   7.3485  360.261   7.3127 -2.296906 10.36709 
1 1 1  -13    5   23 o  776.934   9.5491  1633.79   40.089  1624.31   56.433  1643.46   56.959  774.660   13.481  779.208   13.528 -4.548340 19.09828 
1 1 1  -13    5   24 o  393.722   5.5576  419.072   11.824  418.390   16.780  419.745   16.663  393.403   7.8935  394.041   7.8257 -0.6385193 11.11524 
1 1 1  -13    5   25 o  1242.53   14.894  4185.96   99.990  4143.77  139.966  4229.93  142.893  1236.16   20.954  1248.90   21.174 -12.73669 29.78897 
1 1 1  -13    5   26 o  1002.01   12.119  2718.44   65.611  2692.82   91.903  2745.07   93.700  997.205   17.055  1006.81   17.223 -9.606812 24.23849 
1 1 1  -13    5   27 o  1115.17   13.418  3368.92   80.843  3329.27  113.023  3410.47  115.683  1108.47   18.869  1121.87   19.083 -13.39990 26.83645 
1 1 1  -13    5   28 o  752.114   9.3000  1530.60   37.796  1523.20   53.292  1538.10   53.613  750.285   13.145  753.943   13.160 -3.658569 18.59991 
1 1 1  -13    5   29 o  354.848   5.3594  340.377   10.276  336.966   14.513  343.807   14.553  353.064   7.6070  356.631   7.5517 -3.567322 10.71890 
1 1 1  -13    5   30 o  580.500   7.4793  911.110   23.456  899.837   32.756  922.975   33.604  576.819   10.509  584.180   10.645 -7.361572 14.95862 
1 1 1  -13    5   31 f  487.661   6.5805  643.005   17.340  636.479   24.390  649.676   24.657  485.160   9.3034  490.163   9.3092 -5.003540 13.16107 
1 1 1  -13    5   32 o  500.685   6.7453  677.895   18.248  672.636   25.600  683.327   26.018  498.714   9.4996  502.657   9.5787 -3.943665 13.49052 
1 1 1  -13    5   33 o  361.521   5.6692  353.359   11.073  351.331   15.511  355.466   15.813  360.465   7.9632  362.576   8.0712 -2.110870 11.33831 
1 1 1  -13    5   35 o  243.654   5.7236  160.492   7.5286  151.043   10.547  170.310   10.750  236.339   8.2582  250.969   7.9271 -14.62975 11.44715 
1 1 1  -13    5   36 o  756.645   9.4623  1550.62   38.687  1554.14   54.902  1547.15   54.524  757.493   13.413  755.797   13.351 1.695313 18.92465 
1 1 1  -13    5   37 f  386.214   6.0601  403.317   12.643  407.202   18.159  399.662   17.613  388.014   8.6607  384.414   8.4789 3.600311 12.12025 
1 1 1  -13    5   38 o  943.476   11.557  2415.97   58.918  2429.02   83.820  2403.23   82.835  945.980   16.397  940.972   16.291 5.008484 23.11436 
1 1 1  -13    5   39 o  157.526   7.6028   67.265   6.4276   66.480   9.6403   67.893   8.6244  156.678   11.387  158.374   10.078 -1.695618 15.20568 
1 1 1  -13    5   40 o  552.506   7.3928  826.698   22.071  828.980   31.306  824.443   31.122  553.262   10.472  551.750   10.438 1.512024 14.78563 
1 1 1  -13    5   41 o  345.748   5.9235  323.559   11.067  320.858   15.593  326.300   15.709  344.294   8.3811  347.202   8.3731 -2.908142 11.84701 
1 1 1  -13    5   42 o  376.248   6.0207  382.985   12.235  392.190   17.629  374.431   16.995  380.601   8.5718  371.895   8.4569 8.706360 12.04138 
1 1 1  -13    5   43 o  153.575   10.128   64.036   8.3973   66.914   12.196   61.441   11.579  156.846   14.390  150.304   14.257 6.541824 20.25640 
1 1 1  -13    5   44 o  391.375   12.046  416.216   25.475  416.216   25.475   0.0000   0.0000  391.375   12.046  ?   ?       ?      ? 
1 1 1  -13    5   45 o  296.621   11.760  239.189   18.850  239.189   18.850   0.0000   0.0000  296.621   11.760  ?   ?       ?      ? 
1 1 1  -13    5   46 o  505.172   9.9272  695.397   27.073  670.045   37.291  723.649   39.366  495.494   13.928  514.850   14.150 -19.35562 19.85449 
1 1 1  -13    5   47 o  557.360   7.4550  845.192   22.453  840.205   31.696  850.216   31.810  555.706   10.555  559.015   10.531 -3.309814 14.90995 
1 1 1  -13    5   48 o  197.769   6.2759  106.200   6.7062  108.178   9.5550  104.279   9.4146  199.586   8.8596  195.952   8.8912 3.634003 12.55175 
1 1 1  -13    5   49 o  194.918   6.1762  103.308   6.4939   95.675   9.1304  111.122   9.2380  187.592   9.0072  202.244   8.4531 -14.65285 12.35249 
1 1 1  -13    5   50 o  267.470   5.7199  194.134   8.2580  200.912   12.026  188.085   11.360  271.861   8.1860  263.078   7.9911 8.783203 11.43972 
1 1 1  -13    5   51 o  258.036   5.6739  181.047   7.9079  181.014   11.350  181.079   11.024  257.989   8.1416  258.084   7.9047 -0.9436035E-01 11.34770 
1 1 1  -13    5   52 o  325.101   5.6870  287.421   9.9845  293.567   14.426  281.771   13.833  328.409   8.1293  321.793   7.9552 6.615570 11.37407 
1 1 1  -13    5   53 o   91.411   10.899   23.640   5.2553   23.131   7.6518   24.094   7.2304   89.665   16.397   93.158   14.363 -3.492981 21.79818 
1 1 1  -13    5   54 o   88.287   11.365   22.005   5.2718   26.770   7.8122   18.022   7.1434   98.004   14.752   78.571   17.294 19.43301 22.73078 
1 1 1  -13    5   55 o  148.274   7.2454   61.190   5.7298   52.593   8.3606   68.803   7.8681  138.081   11.205  158.467   9.1885 -20.38564 14.49078 
1 1 1  -13    5   56 o   86.518   11.366   21.502   5.1806   25.137   7.4965   18.178   7.1676   94.576   14.669   78.460   17.365 16.11551 22.73138 
1 1 1  -13    5   57 o  254.342   5.6838  177.131   7.8094  178.772   11.202  175.579   10.893  255.455   8.1149  253.229   7.9606 2.225830 11.36765 
1 1 1  -13    5   58 f  225.896   5.9893  139.954   7.2972  142.483   10.691  137.748   9.9845  227.710   8.6887  224.081   8.2458 3.628738 11.97861 
1 1 1  -13    5   59 o  290.842   5.8506  232.610   9.1889  229.283   13.175  235.761   12.822  288.713   8.4452  292.972   8.0991 -4.259125 11.70113 
1 1 1  -13    5   60 f   52.069   13.808   6.2351   5.3820   10.032   7.9030   2.9508   7.3497   58.915   20.384   45.224   18.630 13.69066 27.61543 
1 1 1  -13    5   61 o  114.606   9.6226   37.772   5.8986   33.740   8.6264   41.312   8.0837  108.291   14.742  120.921   12.371 -12.63021 19.24513 
1 1 1  -13    5   62 o   93.015   13.961   27.609   6.7933   30.958   8.8041   22.680   10.680  102.903   15.833   83.127   22.999 19.77555 27.92174 
1 1 1  -13    5   63 o  215.393   6.7854  128.691   7.8739  140.019   11.691  119.288   10.652  223.971   9.6601  206.814   9.5314 17.15617 13.57074 
1 1 1  -13    5   64 o   57.430   15.641   9.7069   7.0228   2.3221   13.084   12.695   8.3234   52.446   23.246   62.415   20.933 -9.968884 31.28200 
1 1 1  -13    5   65 o  244.225   9.4873  167.132   12.521  167.132   12.521   0.0000   0.0000  244.225   9.4873  ?   ?       ?      ? 
1 1 1  -13    5   66 o  123.975   10.417   45.988   6.9752   46.870   9.7851   45.078   9.9456  125.420   14.438  122.530   15.021 2.890038 20.83491 
1 1 1  -13    5   67 o  131.631   9.3493   51.843   6.6486   53.318   9.4928   50.422   9.3147  133.532   13.156  129.729   13.288 3.803528 18.69856 
1 1 1  -13    5   68 o   57.467   13.445   9.7487   6.0357  -2.1414   8.7439   20.570   8.3418   38.933   17.941   76.000   20.030 -37.06726 26.88987 
1 1 1  -13    6    1 o  739.255   9.0950  1479.08   36.324  1495.63   52.011  1463.32   50.752  743.281   12.949  735.229   12.775 8.052185 18.19002 
1 1 1  -13    6    2 o  508.858   6.5754  700.318   18.080  697.895   25.577  702.739   25.562  507.977   9.3178  509.738   9.2801 -1.761810 13.15072 
1 1 1  -13    6    3 o   88.167   5.2785   20.819   2.5016   23.003   3.7816   19.120   3.3357   92.239   7.5871   84.095   7.3406 8.144142 10.55693 
1 1 1  -13    6    4 o  249.867   4.2895  168.770   5.7883  168.449   8.3264  169.070   8.0522  249.636   6.1725  250.099   5.9582 -0.4636688 8.579024 
1 1 1  -13    6    5 o  456.716   6.0401  564.035   14.906  558.794   20.991  569.367   21.171  454.576   8.5456  458.856   8.5384 -4.280731 12.08017 
1 1 1  -13    6    6 f  463.844   6.1161  581.639   15.325  588.946   22.004  574.757   21.356  466.668   8.7257  461.020   8.5726 5.648315 12.23224 
1 1 1  -13    6    7 o  571.637   7.2466  883.838   22.380  892.565   32.024  875.507   31.289  574.390   10.318  568.885   10.178 5.504883 14.49317 
1 1 1  -13    6    8 o  236.493   4.2312  150.941   5.4009  155.884   7.8722  146.545   7.4235  240.144   6.0665  232.842   5.9001 7.301788 8.462440 
1 1 1  -13    6    9 o  309.357   6.5921  258.713   11.020   0.0000   0.0000  258.713   11.020  ?   ?   309.357   6.5921      ?      ? 
1 1 1  -13    6   10 o  351.147   6.1725  336.841   11.243  346.012   14.156  321.171   18.504  357.738   7.3230  344.557   9.9385 13.18143 12.34499 
1 1 1  -13    6   11 o  283.799   6.4067  217.606   9.8161  223.288   14.252  212.477   13.540  287.315   9.1797  280.282   8.9397 7.033508 12.81348 
1 1 1  -13    6   12 o  836.839   14.488  1902.52   65.494  1929.05   93.988  1877.48   91.315  842.471   20.646  831.207   20.330 11.26434 28.97528 
1 1 1  -13    6   13 o  333.776   6.9643  301.214   12.561   0.0000   0.0000  301.214   12.561  ?   ?   333.776   6.9643      ?      ? 
1 1 1  -13    6   14 o  199.747   5.8950  107.928   6.3532  100.248   8.9146  115.856   9.0568  192.519   8.5692  206.976   8.0978 -14.45720 11.79006 
1 1 1  -13    6   15 o  260.720   6.2219  183.807   8.7621  176.667   12.288  191.194   12.498  255.566   8.8976  265.873   8.6993 -10.30643 12.44370 
1 1 1  -13    6   16 o  582.557   7.3975  917.805   23.279  900.848   32.404  935.889   33.463  577.005   10.393  588.108   10.530 -11.10352 14.79492 
1 1 1  -13    6   17 o  205.138   4.2623  113.815   4.7221  110.771   6.7275  116.772   6.6296  202.430   6.1502  207.846   5.9028 -5.415207 8.524549 
1 1 1  -13    6   18 o  157.219   4.3690   66.872   3.7057   65.722   5.3694   67.919   5.1208  155.924   6.3727  158.513   5.9784 -2.589172 8.737975 
1 1 1  -13    6   20 o  206.097   4.4195  114.513   4.9075  118.526   7.2711  111.157   6.6507  209.401   6.4259  202.792   6.0692 6.609100 8.838972 
1 1 1  -13    6   21 f  758.103   9.3425  1555.25   38.266  1536.30   53.538  1575.05   54.713  753.388   13.151  762.818   13.273 -9.430359 18.68493 
1 1 1  -13    6   22 o  406.139   5.6604  445.950   12.422  445.935   17.652  445.965   17.484  406.130   8.0434  406.147   7.9665 -0.1641846E-01 11.32084 
1 1 1  -13    6   23 o  909.017   11.056  2236.69   54.289  2201.93   75.628  2273.64   77.979  901.750   15.521  916.284   15.749 -14.53442 22.11157 
1 1 1  -13    6   24 o  843.502   10.309  1925.55   46.984  1908.06   65.912  1943.62   66.990  839.613   14.528  847.391   14.630 -7.777893 20.61772 
1 1 1  -13    6   25 o  278.775   4.8172  209.755   7.2507  202.936   10.009  217.287   10.518  274.014   6.7596  283.536   6.8651 -9.521698 9.634419 
1 1 1  -13    6   26 o  323.434   7.0970  282.750   12.404   0.0000   0.0000  282.750   12.404  ?   ?   323.434   7.0970      ?      ? 
1 1 1  -13    6   27 o  799.840   9.8313  1730.01   42.468  1694.11   58.879  1768.95   61.312  791.208   13.771  808.472   14.034 -17.26337 19.66260 
1 1 1  -13    6   28 o  551.142   7.1570  821.293   21.313  810.843   29.892  832.098   30.396  547.577   10.102  554.706   10.141 -7.128723 14.31409 
1 1 1  -13    6   29 o  810.402   9.9648  1777.50   43.636  1769.71   61.470  1785.41   61.956  808.614   14.068  812.190   14.117 -3.575562 19.92966 
1 1 1  -13    6   30 o  459.987   6.3278  571.754   15.723  559.431   21.884  584.902   22.605  454.869   8.9034  465.105   8.9941 -10.23636 12.65565 
1 1 1  -13    6   31 o  317.121   5.3219  271.412   9.1110  282.467   13.242  261.474   12.555  323.242   7.5813  311.001   7.4709 12.24118 10.64376 
1 1 1  -13    6   32 o  375.854   5.7243  381.903   11.625  377.700   16.291  386.263   16.592  373.749   8.0666  377.960   8.1241 -4.211365 11.44863 
1 1 1  -13    6   33 o  503.957   6.8184  686.968   18.567  686.727   26.363  687.205   26.155  503.867   9.6824  504.047   9.6026 -0.1799011 13.63671 
1 1 1  -13    6   34 o  212.020   5.9620  120.932   6.8112  109.796   9.2830  133.918   10.025  201.500   8.5256  222.541   8.3364 -21.04089 11.92399 
1 1 1  -13    6   35 o  362.017   5.9046  354.347   11.549  358.229   16.521  350.638   16.150  363.953   8.4002  360.080   8.3001 3.873260 11.80915 
1 1 1  -13    6   36 o  189.471   6.7006   97.163   6.8566   94.062   9.7367  100.213   9.6573  186.466   9.6633  192.476   9.2851 -6.010056 13.40121 
1 1 1  -13    6   37 o  403.228   6.1636  439.514   13.424  429.738   18.655  450.014   19.333  398.584   8.6612  407.873   8.7717 -9.288635 12.32719 
1 1 1  -13    6   38 o  1001.87   12.233  2725.78   66.210  2688.31   92.395  2765.33   94.926  994.829   17.187  1008.91   17.412 -14.07892 24.46591 
1 1 1  -13    6   39 o  103.834   11.345   29.736   6.0911   22.544   8.3622   37.864   8.8902   89.506   17.915  118.163   13.923 -28.65712 22.68902 
1 1 1  -13    6   40 o  529.917   7.2007  760.025   20.609  742.304   28.596  779.176   29.727  523.505   10.109  536.330   10.257 -12.82458 14.40134 
1 1 1  -13    6   41 o  253.521   5.8152  173.946   7.9643  174.955   11.411  172.988   11.121  254.233   8.3061  252.809   8.1408 1.423813 11.63031 
1 1 1  -13    6   42 o  401.968   7.5571  435.781   15.412  444.595   27.037  431.538   18.758  404.734   12.362  399.203   8.6958 5.531128 15.11420 
1 1 1  -13    6   43 o  666.272   12.088  1211.92   43.522  1214.64   61.726  1209.23   61.373  667.003   17.126  665.542   17.065 1.461365 24.17685 
1 1 1  -13    6   45 o  112.934   14.038   34.284   8.1064   54.820   12.755   20.369   10.500  141.513   16.680   84.355   22.585 57.15788 28.07677 
1 1 1  -13    6   46 o  233.704   8.1954  148.841   10.339  144.347   14.815  153.108   14.435  230.212   11.909  237.196   11.262 -6.983917 16.39084 
1 1 1  -13    6   47 o  251.923   5.8559  172.415   7.9584  161.003   11.255  183.825   11.255  243.541   8.5526  260.306   8.0012 -16.76460 11.71181 
1 1 1  -13    6   48 o  182.763   6.4560   90.901   6.3549   88.960   9.3168   92.590   8.6902  180.889   9.5317  184.637   8.7101 -3.748459 12.91195 
1 1 1  -13    6   49 o  195.326   6.1146  103.110   6.4319  111.296   9.5911   96.420   8.6705  202.311   8.7732  188.340   8.5195 13.97076 12.22912 
1 1 1  -13    6   50 o  181.762   6.5808   89.285   6.4380   99.316   9.6145   81.131   8.6682  190.943   9.3183  172.581   9.2949 18.36125 13.16153 
1 1 1  -13    6   51 o  194.277   6.2020  102.613   6.5001  105.603   9.5218  100.004   8.8951  196.891   8.9496  191.663   8.5887 5.227982 12.40407 
1 1 1  -13    6   52 o  115.080   8.9715   37.123   5.4748   31.540   8.1304   41.755   7.4053  106.765   14.093  123.395   11.106 -16.63010 17.94292 
1 1 1  -13    6   53 o  114.682   8.8352   36.078   5.3713   46.487   7.9502   27.337   7.2854  130.029   11.315   99.335   13.573 30.69402 17.67045 
1 1 1  -13    6   54 o  129.324   8.1746   45.795   5.6916   51.472   8.4180   41.014   7.7249  136.695   11.396  121.952   11.722 14.74263 16.34914 
1 1 1  -13    6   55 o  237.689   5.8862  154.494   7.5562  155.209   10.874  153.826   10.507  238.177   8.4492  237.200   8.1976 0.9772186 11.77240 
1 1 1  -13    6   56 o   49.576   13.519   5.1639   5.1242   5.6861   7.3904   4.6804   7.1111   50.758   19.373   48.393   18.861 2.365089 27.03841 
1 1 1  -13    6   57 o  186.275   6.5366   95.716   6.5555   92.727   9.5975   98.329   8.9756  183.375   9.6857  189.174   8.7804 -5.799042 13.07315 
1 1 1  -13    6   58 o   87.693   12.177   22.790   5.5485   23.412   8.2074   22.267   7.5300   88.583   17.764   86.804   16.659 1.779663 24.35367 
1 1 1  -13    6   59 o  105.752   9.9460   31.804   5.6783   31.261   8.1600   32.314   7.9066  104.743   14.417  106.760   13.705 -2.017258 19.89197 
1 1 1  -13    6   60 o   35.266   11.586  -6.7121   5.3934  -1.4175   7.9649 -11.1956   7.3294   40.636   18.068   29.897   14.507 10.73941 23.17125 
1 1 1  -13    6   61 o   67.902   14.810   11.281   6.5951   2.4831   8.3915   25.495   10.666   46.574   19.600   89.230   22.209 -42.65671 29.62063 
1 1 1  -13    6   62 o  136.695   10.043   52.310   7.2504   46.483   9.1542   62.117   11.876  127.346   13.303  146.044   15.049 -18.69795 20.08604 
1 1 1  -13    6   63 o  159.413   9.7793   71.596   7.8137   78.986   14.186   68.377   9.3618  163.298   16.076  155.528   11.139 7.769592 19.55854 
1 1 1  -13    6   64 o  161.162   8.1300   74.107   7.0472   76.452   10.544   72.214   9.4739  163.087   11.965  159.237   11.010 3.850174 16.26005 
1 1 1  -13    6   65 o  191.947   10.385  103.911   10.772   0.0000   0.0000  103.911   10.772  ?   ?   191.947   10.385      ?      ? 
1 1 1  -13    6   66 o  119.508   10.531   43.317   6.7462   51.448   10.049   36.646   9.1022  130.182   14.285  108.834   15.477 21.34745 21.06222 
1 1 1  -13    6   67 o   49.693   14.360   6.2394   6.1119   6.6468   8.7496   5.8511   8.5413   50.399   20.494   48.988   20.121 1.410599 28.72005 
1 1 1  -13    6   68 o   72.619   17.068   20.412   7.5068   27.477   12.930   16.819   9.2197   79.228   26.075   66.011   22.032 13.21693 34.13665 
1 1 1  -13    7    1 o  394.663   5.4857  421.107   11.697  423.412   16.721  418.899   16.368  395.718   7.8195  393.608   7.6958 2.109985 10.97132 
1 1 1  -13    7    3 o  145.270   4.5159   57.296   3.5194   54.721   5.2344   59.420   4.7546  142.273   6.8085  148.266   5.9345 -5.992676 9.031815 
1 1 1  -13    7    4 o  510.863   6.6328  705.914   18.310  703.996   25.912  707.827   25.876  510.169   9.3995  511.557   9.3609 -1.388580 13.26565 
1 1 1  -13    7    5 o  426.148   5.7766  491.066   13.302  486.770   18.770  495.401   18.854  424.275   8.1870  428.022   8.1516 -3.746490 11.55319 
1 1 1  -13    7    6 o  1028.99   12.425  2871.88   69.085  2851.71   97.062  2892.60   98.354  1025.34   17.518  1032.64   17.626 -7.299316 24.85092 
1 1 1  -13    7    7 o  336.598   6.0744  304.020   10.414  299.384   12.704  313.513   18.181  332.770   7.0650  340.425   9.8834 -7.655731 12.14887 
1 1 1  -13    7    8 o  256.975   6.1665  178.548   8.5598  172.049   12.004  185.270   12.209  252.216   8.8081  261.733   8.6324 -9.516464 12.33292 
1 1 1  -13    7    9 o  107.647   7.1015   31.493   4.1082   29.707   6.0285   33.041   5.6135  104.777   10.648  110.518   9.3996 -5.740967 14.20305 
1 1 1  -13    7   10 o  962.096   16.533  2520.19   85.951  2529.28  122.096  2511.26  121.016  963.796   23.444  960.396   23.319 3.399597 33.06623 
1 1 1  -13    7   11 o  376.998   7.5437  384.318   15.356  392.568   22.240  376.802   21.229  380.853   10.807  373.143   10.529 7.709808 15.08744 
1 1 1  -13    7   12 o  327.216   6.1148  293.678   10.224  276.802   17.326  302.694   12.665  319.840   10.025  334.592   7.0046 -14.75192 12.22951 
1 1 1  -13    7   13 o  373.083   7.4961  376.584   15.108  380.631   21.658  372.748   21.086  375.030   10.687  371.136   10.514 3.893982 14.99217 
1 1 1  -13    7   14 o  438.853   8.3719  521.224   19.851  511.712   27.827  531.081   28.326  434.776   11.844  442.929   11.835 -8.152863 16.74379 
1 1 1  -13    7   15 o  688.351   8.5698  1282.69   31.876  1283.53   45.187  1281.86   44.973  688.571   12.144  688.131   12.095 0.4401855 17.13962 
1 1 1  -13    7   16 o  514.760   6.7082  716.504   18.653  726.101   26.809  707.499   25.969  518.094   9.5760  511.426   9.3968 6.668182 13.41644 
1 1 1  -13    7   17 o  341.275   5.0622  314.869   9.3345  308.998   13.155  320.822   13.247  338.070   7.2012  344.480   7.1166 -6.409882 10.12440 
1 1 1  -13    7   18 o  433.829   5.9091  508.872   13.850  511.169   19.803  506.672   19.377  434.784   8.4288  432.873   8.2840 1.910645 11.81819 
1 1 1  -13    7   19 o  571.251   7.3055  882.683   22.551  877.473   31.833  887.932   31.950  569.558   10.343  572.944   10.320 -3.385803 14.61096 
1 1 1  -13    7   20 o  363.480   5.2937  357.145   10.397  351.247   14.646  363.136   14.760  360.454   7.5196  366.506   7.4530 -6.051392 10.58731 
1 1 1  -13    7   21 o  366.274   5.3424  362.713   10.573  359.337   15.019  366.028   14.885  364.583   7.6237  367.965   7.4863 -3.382172 10.68479 
1 1 1  -13    7   22 o  565.372   7.2672  864.477   22.201  863.833   31.507  865.113   31.289  565.161   10.317  565.584   10.238 -0.4229126 14.53435 
1 1 1  -13    7   23 o  526.126   6.8738  748.154   19.537  733.657   27.260  763.465   28.016  520.890   9.6849  531.362   9.7571 -10.47290 13.74767 
1 1 1  -13    7   24 o  791.015   9.7302  1692.16   41.575  1661.93   57.838  1724.46   59.802  783.719   13.657  798.310   13.863 -14.59033 19.46038 
1 1 1  -13    7   25 o  595.553   7.6036  958.389   24.456  936.618   33.912  981.982   35.303  588.516   10.664  602.590   10.842 -14.07428 15.20721 
1 1 1  -13    7   26 o  1030.52   12.458  2876.54   69.368  2855.59   97.442  2898.06   98.773  1026.72   17.563  1034.31   17.673 -7.590332 24.91557 
1 1 1  -13    7   27 o  235.283   4.9204  149.539   6.2535  144.368   8.7299  154.988   8.9622  231.108   6.9905  239.458   6.9262 -8.349747 9.840724 
1 1 1  -13    7   28 o  1520.86   18.169  6284.58  149.296  6219.51  208.939  6352.47  213.404  1512.86   25.558  1528.85   25.831 -15.99121 36.33860 
1 1 1  -13    7   29 o  443.262   6.2027  531.227   14.856  531.419   21.131  531.040   20.889  443.339   8.8207  443.185   8.7227 0.1545105 12.40531 
1 1 1  -13    7   30 o  539.869   7.1094  787.482   20.726  767.693   28.684  809.103   29.982  532.783   9.9631  546.954   10.144 -14.17096 14.21871 
1 1 1  -13    7   31 o  448.972   6.3000  544.288   15.273  523.356   21.102  567.312   22.132  439.923   8.8770  458.022   8.9421 -18.09894 12.60008 
1 1 1  -13    7   32 o  756.282   9.4256  1548.56   38.517  1536.38   54.118  1561.06   54.832  753.274   13.295  759.290   13.364 -6.016541 18.85114 
1 1 1  -13    7   33 o  791.257   9.8262  1695.46   42.013  1694.62   59.495  1696.31   59.338  791.058   13.918  791.457   13.874 -0.3988037 19.65237 
1 1 1  -13    7   34 o  706.279   8.9342  1350.54   34.097  1351.29   48.378  1349.81   48.063  706.469   12.673  706.090   12.597 0.3789063 17.86839 
1 1 1  -13    7   35 o  1011.36   12.320  2774.75   67.324  2749.00   94.436  2801.38   96.005  1006.60   17.362  1016.12   17.485 -9.514893 24.64028 
1 1 1  -13    7   36 o  513.119   7.0432  711.538   19.508  729.659   28.382  695.312   26.857  519.292   10.115  506.945   9.8042 12.34692 14.08636 
1 1 1  -13    7   37 o  619.950   8.0641  1040.50   27.010  1025.45   37.764  1056.26   38.647  615.368   11.357  624.531   11.452 -9.162659 16.12827 
1 1 1  -13    7   38 o  163.145   7.2732   72.106   6.4053   70.595   9.2102   73.521   8.9141  161.480   10.555  164.809   10.009 -3.328735 14.54639 
1 1 1  -13    7   39 o  591.058   7.7805  945.942   24.843  926.726   34.635  966.304   35.654  584.885   10.959  597.232   11.048 -12.34619 15.56098 
1 1 1  -13    7   40 o   82.630   13.329   19.340   5.8096   19.516   8.5140   19.188   7.9474   82.945   19.350   82.316   18.337 0.6287689 26.65831 
1 1 1  -13    7   41 o  472.027   8.1178  607.013   19.665  595.270   33.374  613.259   24.340  468.234   13.190  475.821   9.4664 -7.587158 16.23563 
1 1 1  -13    7   42 o  205.085   8.9558  113.942   9.9098  122.950   14.398  105.833   13.660  212.779   12.522  197.390   12.807 15.38943 17.91157 
1 1 1  -13    7   43 o  714.162   12.917  1387.11   49.596  1312.16   66.250  1482.66   74.804  692.641   17.701  735.684   18.817 -43.04370 25.83391 
1 1 1  -13    7   44 o  537.966   10.428  788.692   30.292  809.910   43.876  769.369   41.872  544.817   14.904  531.115   14.590 13.70209 20.85607 
1 1 1  -13    7   45 o   94.737   15.800   25.745   7.9636   28.604   11.548   23.153   10.997   99.791   22.007   89.682   22.678 10.10879 31.60040 
1 1 1  -13    7   46 o  531.970   8.9995  776.555   24.317  759.685   42.081  785.013   29.796  526.677   14.786  537.262   10.263 -10.58508 17.99896 
1 1 1  -13    7   47 o  367.179   5.9450  365.636   11.783  372.007   17.122  359.904   16.240  370.185   8.5597  364.174   8.2525 6.010956 11.89005 
1 1 1  -13    7   48 o  260.196   5.7954  182.896   8.1269  198.166   12.027  170.064   11.025  270.132   8.2391  250.260   8.1527 19.87212 11.59089 
1 1 1  -13    7   49 o  310.850   5.7571  262.557   9.6557  263.899   14.064  261.361   13.280  311.553   8.3538  310.148   7.9242 1.404999 11.51428 
1 1 1  -13    7   50 o   55.845   12.910   6.7066   5.0357   14.514   7.4264   0.0613   6.8513   70.823   19.008   40.867   17.474 29.95640 25.81915 
1 1 1  -13    7   51 o  319.332   5.8157  276.730   10.013  289.423   14.768  265.931   13.622  326.043   8.3823  312.620   8.0637 13.42319 11.63130 
1 1 1  -13    7   52 o  162.172   6.9062   72.269   6.0208   67.699   8.7889   76.310   8.2646  157.197   10.347  167.147   9.1503 -9.949539 13.81234 
1 1 1  -13    7   53 o   79.473   11.861   18.808   5.2836   7.1501   7.4855   30.383   7.4589   54.191   19.726  104.755   13.177 -50.56439 23.72224 
1 1 1  -13    7   54 o  185.731   6.5151   94.808   6.5143   88.444   9.4014  100.684   9.0347  179.583   9.6881  191.878   8.7136 -12.29562 13.03022 
1 1 1  -13    7   55 o  184.801   6.3870   93.800   6.3652   91.017   9.2118   96.343   8.8056  182.072   9.3630  187.531   8.6895 -5.458801 12.77393 
1 1 1  -13    7   56 f  258.188   5.8591  182.897   8.1614  174.651   11.682  190.759   11.407  252.372   8.5659  264.004   7.9962 -11.63121 11.71811 
1 1 1  -13    7   57 o  225.061   6.1812  138.148   7.4794  149.409   11.289  129.337   9.9855  233.078   8.9633  217.044   8.5140 16.03366 12.36242 
1 1 1  -13    7   58 o  176.123   6.7958   86.075   6.4375   79.896   9.3236   91.704   8.8992  169.827   10.160  182.418   9.0281 -12.59163 13.59157 
1 1 1  -13    7   59 o  236.682   6.2166  154.827   7.9347  147.939   11.409  161.277   11.042  231.387   9.1250  241.978   8.4449 -10.59143 12.43311 
1 1 1  -13    7   60 o   95.409   14.541   27.668   6.9902   25.761   8.6115   31.351   11.969   92.100   17.948   98.718   22.883 -6.618286 29.08252 
1 1 1  -13    7   61 o   69.088   15.755   15.081   6.6425   15.711   8.5211   14.106   10.605   70.593   20.878   67.584   23.600 3.008606 31.50930 
1 1 1  -13    7   62 o  134.121   11.163   53.311   7.2956   51.509   13.380   54.073   8.7031  130.033   19.042  138.208   11.653 -8.174500 22.32512 
1 1 1  -13    7   63 o  179.576   7.5778   91.958   7.2891   83.983   10.703   98.857   9.9546  171.604   11.542  187.548   9.8226 -15.94336 15.15570 
1 1 1  -13    7   64 o   56.152   14.984   9.1121   6.2498   7.3022   9.3788   10.558   8.3820   53.804   21.447   58.501   20.930 -4.697079 29.96720 
1 1 1  -13    7   65 o  152.699   8.7550   66.842   7.1801   69.518   10.842   64.752   9.5826  154.973   12.947  150.425   11.789 4.548294 17.51004 
1 1 1  -13    7   66 f   78.019   14.126   21.219   6.6136   34.623   9.8292   10.131   8.9400  101.198   18.662   54.839   21.211 46.35907 28.25187 
1 1 1  -13    7   67 o  140.686   9.4040   59.071   7.1329   59.613   10.450   58.599   9.7599  140.847   13.731  140.525   12.853 0.3226776 18.80793 
1 1 1  -13    8    1 o  774.834   13.495  1626.11   56.504   0.0000   0.0000  1626.11   56.504  ?   ?   774.834   13.495      ?      ? 
1 1 1  -13    8    2 o  490.412   6.4835  650.154   17.171  661.244   24.793  639.929   23.805  494.422   9.2797  486.401   9.0572 8.020477 12.96709 
1 1 1  -13    8    3 o   77.943   7.3405   17.285   2.8902   12.761   4.2842   21.064   3.9154   67.631   12.171   88.255   8.2103 -20.62386 14.68095 
1 1 1  -13    8    4 o  322.979   6.0193  276.626   9.8851  266.500   11.983  298.198   17.490  313.957   7.0631  332.001   9.7488 -18.04404 12.03855 
1 1 1  -13    8    5 o  483.977   8.9862  633.316   23.478  613.513   32.331  655.405   34.148  475.998   12.570  491.957   12.845 -15.95868 17.97233 
1 1 1  -13    8    6 o  581.363   10.451  915.388   32.818  896.622   45.582  935.586   47.287  575.194   14.665  587.531   14.895 -12.33691 20.90257 
1 1 1  -13    8    7 o  272.475   6.3682  200.270   9.3633  188.378   12.863  213.671   13.655  263.895   9.0206  281.054   8.9914 -17.15930 12.73647 
1 1 1  -13    8    8 o  318.289   6.8439  274.038   11.768  276.351   16.872  271.847   16.422  319.593   9.7695  316.986   9.5871 2.607147 13.68777 
1 1 1  -13    8    9 o  429.870   7.1604  500.989   15.710  497.072   27.052  502.982   19.298  428.492   11.683  431.248   8.2814 -2.755920 14.32072 
1 1 1  -13    8   10 o  142.472   4.6675   54.913   3.5834   54.394   5.2547   55.364   4.8993  141.839   6.8559  143.106   6.3356 -1.266418 9.335032 
1 1 1  -13    8   11 o  160.201   5.8323   70.221   4.6136   67.387   8.3765   71.455   5.5276  157.821   9.8222  162.580   6.2919 -4.758377 11.66457 
1 1 1  -13    8   12 o  447.026   8.5655  540.948   20.687  543.243   29.541  538.739   28.980  447.949   12.204  446.102   12.022 1.847717 17.13096 
1 1 1  -13    8   13 o  238.959   6.2994  154.270   8.1095  156.577   11.982  152.320   11.016  240.597   9.2163  237.321   8.5899 3.275497 12.59871 
1 1 1  -13    8   14 o  441.207   5.9933  526.421   14.287  527.944   20.369  524.946   20.045  441.833   8.5316  440.582   8.4196 1.251007 11.98655 
1 1 1  -13    8   15 o  543.829   7.0418  799.541   20.681  814.589   29.881  785.706   28.652  548.729   10.077  538.930   9.8385 9.799805 14.08366 
1 1 1  -13    8   16 o  695.756   8.6723  1310.18   32.604  1299.86   45.889  1320.70   46.332  692.990   12.254  698.522   12.275 -5.531067 17.34468 
1 1 1  -13    8   17 o  354.592   5.2355  339.968   10.030  336.265   14.255  343.599   14.116  352.677   7.4800  356.507   7.3274 -3.829498 10.47093 
1 1 1  -13    8   19 o  790.268   9.7260  1690.06   41.521  1712.12   59.602  1669.27   57.874  795.263   13.869  785.272   13.639 9.990967 19.45198 
1 1 1  -13    8   20 o  671.764   8.4288  1220.92   30.596  1214.00   43.196  1227.90   43.344  669.851   11.934  673.677   11.907 -3.826233 16.85769 
1 1 1  -13    8   21 o  1694.63   20.231  7815.83  185.253  7774.44  260.623  7858.09  263.372  1690.13   28.537  1699.13   28.685 -9.004150 40.46204 
1 1 1  -13    8   22 o  537.491   7.0304  781.190   20.419  775.346   28.850  787.055   28.904  535.476   9.9705  539.507   9.9144 -4.030762 14.06084 
1 1 1  -13    8   23 o  951.336   11.552  2450.29   59.386  2440.20   83.708  2460.51   84.264  949.366   16.317  953.305   16.358 -3.938660 23.10460 
1 1 1  -13    8   24 o  579.444   7.4450  907.940   23.310  909.348   33.120  906.557   32.814  579.888   10.569  579.001   10.488 0.8868408 14.88990 
1 1 1  -13    8   25 o  660.392   8.3134  1179.01   29.650  1199.56   42.782  1160.01   41.131  665.919   11.889  654.865   11.623 11.05414 16.62678 
1 1 1  -13    8   26 o  361.664   5.4510  353.565   10.651  354.590   15.230  352.583   14.900  362.176   7.7820  361.153   7.6350 1.022552 10.90192 
1 1 1  -13    8   27 o  799.712   9.8550  1727.85   42.532  1674.55   58.371  1788.17   62.100  786.608   13.733  812.816   14.139 -26.20807 19.71000 
1 1 1  -13    8   28 o  372.243   5.6515  374.641   11.366  371.641   16.183  377.560   15.967  370.770   8.0772  373.716   7.9066 -2.945679 11.30292 
1 1 1  -13    8   29 o  466.424   6.4269  587.950   16.190  597.777   23.336  578.830   22.481  470.176   9.1851  462.672   8.9920 7.503510 12.85389 
1 1 1  -13    8   30 o  859.614   10.561  2001.43   49.058  2001.79   69.560  2001.08   69.198  859.685   14.974  859.543   14.898 0.1414185 21.12273 
1 1 1  -13    8   31 o  993.439   12.085  2675.96   64.876  2669.90   91.686  2682.04   91.811  992.310   17.099  994.568   17.083 -2.257813 24.17044 
1 1 1  -13    8   32 o  180.078   6.3500   87.735   6.1758   84.615   8.7452   90.839   8.7227  176.880   9.1496  183.277   8.8075 -6.397095 12.69991 
1 1 1  -13    8   33 o  138.026   8.4317   51.841   6.2290   43.424   8.7716   60.404   8.8473  126.644   12.818  149.408   10.958 -22.76373 16.86349 
1 1 1  -13    8   34 o  272.922   5.7507  201.442   8.4780  201.078   12.145  201.787   11.840  272.678   8.2426  273.165   8.0213 -0.4869080 11.50135 
1 1 1  -13    8   35 f  317.424   5.8946  272.558   10.107  263.837   14.287  281.294   14.300  312.336   8.4652  322.513   8.2053 -10.17752 11.78929 
1 1 1  -13    8   36 o   63.263   14.702   10.260   5.9004   7.5234   8.3592   12.978   8.3297   57.740   20.872   68.786   20.710 -11.04638 29.40325 
1 1 1  -13    8   37 o  222.090   6.3976  133.742   7.6569  122.866   10.859  144.496   10.798  213.077   9.4313  231.103   8.6468 -18.02562 12.79514 
1 1 1  -13    8   38 o  348.064   8.6275  327.816   16.227  327.816   16.227   0.0000   0.0000  348.064   8.6275  ?   ?       ?      ? 
1 1 1  -13    8   39 o  118.135   9.2132   37.870   5.8812   37.753   8.3359   37.985   8.2989  117.952   13.078  118.318   12.980 -0.3656693 18.42641 
1 1 1  -13    8   40 o  303.751   5.8912  249.738   9.6632  237.691   13.573  262.121   13.761  296.312   8.4769  311.189   8.1833 -14.87625 11.78237 
1 1 1  -13    8   41 o  489.659   9.5863  651.464   25.364  646.622   35.871  656.306   35.871  487.829   13.608  491.490   13.506 -3.660217 19.17265 
1 1 1  -13    8   42 o  345.608   8.1984  324.359   15.298  323.423   22.068  325.225   21.226  345.092   11.834  346.124   11.349 -1.031555 16.39671 
1 1 1  -13    8   43 f  284.548   11.934  220.090   18.350  220.090   18.350   0.0000   0.0000  284.548   11.934  ?   ?       ?      ? 
1 1 1  -13    8   44 o  216.221   8.5816  126.822   10.004  132.883   14.756  121.667   13.610  220.958   12.359  211.483   11.909 9.475433 17.16313 
1 1 1  -13    8   45 o  445.987   9.3553  542.466   22.519  550.901   32.759  534.910   31.007  449.180   13.497  442.794   12.959 6.385956 18.71068 
1 1 1  -13    8   46 o  158.935   9.5062   68.644   8.1642   0.0000   0.0000   68.644   8.1642  ?   ?   158.935   9.5062      ?      ? 
1 1 1  -13    8   47 o   96.055   11.494   26.533   5.6621   21.152   8.4667   30.887   7.6155   85.839   18.776  106.271   13.262 -20.43166 22.98707 
1 1 1  -13    8   48 o  107.405   9.7136   31.198   5.5427   40.309   8.3566   24.041   7.4063  121.320   12.747   93.490   14.660 27.83050 19.42719 
1 1 1  -13    8   49 o  132.054   8.2736   48.366   5.8222   41.334   8.5080   54.560   7.9845  122.733   12.829  141.375   10.452 -18.64114 16.54725 
1 1 1  -13    8   50 o  182.653   6.6030   90.068   6.4724   98.309   9.8810   83.875   8.5660  189.848   9.6318  175.458   9.0347 14.38997 13.20602 
1 1 1  -13    8   51 o  153.338   7.4144   64.329   6.0924   64.685   9.2385   64.055   8.1043  153.586   11.132  153.091   9.7967 0.4946442 14.82871 
1 1 1  -13    8   52 o  164.375   6.8005   73.981   6.0283   73.015   8.7735   74.844   8.2971  163.288   9.9433  165.463   9.2798 -2.175125 13.60092 
1 1 1  -13    8   53 o   47.499   13.231   2.5662   5.4471  -3.9723   8.0005   8.2162   7.4370   38.807   17.607   56.191   19.755 -17.38392 26.46252 
1 1 1  -13    8   54 f  370.113   6.0659  374.472   12.116  382.212   17.662  367.593   16.651  373.627   8.7482  366.598   8.4054 7.029236 12.13183 
1 1 1  -13    8   55 o  136.801   7.9875   51.792   5.9010   51.710   8.4879   51.869   8.2097  136.638   11.496  136.964   11.093 -0.3265991 15.97495 
1 1 1  -13    8   56 o  196.575   6.5365  105.954   6.8992  109.746   10.432  103.006   9.1981  199.518   9.6759  193.632   8.7909 5.885910 13.07292 
1 1 1  -13    8   57 o  188.707   6.6039   98.059   6.7254   99.619   9.7926   96.665   9.2528  190.049   9.5355  187.366   9.1389 2.682693 13.20779 
1 1 1  -13    8   58 o   66.343   14.127   13.045   5.4685   16.360   8.3980   10.605   7.2054   72.742   20.491   59.944   19.452 12.79867 28.25317 
1 1 1  -13    8   59 o  133.092   8.3209   49.757   5.9818   49.623   8.5743   49.884   8.3493  132.840   11.945  133.343   11.588 -0.5023956 16.64186 
1 1 1  -13    8   60 o  107.092   12.779   34.796   6.9228   36.173   8.8060   32.568   11.201  112.246   14.518  101.937   21.033 10.30862 25.55711 
1 1 1  -13    8   61 o  315.995   7.8002  277.515   12.167  288.964   22.443  272.749   14.480  318.074   13.058  313.917   8.5362 4.157410 15.60040 
1 1 1  -13    8   62 o  128.995   12.768   52.964   7.5080   44.414   13.795   56.563   8.9496  116.745   22.684  141.246   11.726 -24.50135 25.53559 
1 1 1  -13    8   63 o   86.030   13.978   24.539   6.3557   21.314   9.6069   27.049   8.4757   79.216   21.770   92.843   17.537 -13.62655 27.95524 
1 1 1  -13    8   64 f  244.869   9.2805  167.729   12.280   0.0000   0.0000  167.729   12.280  ?   ?   244.869   9.2805      ?      ? 
1 1 1  -13    8   65 o  128.943   9.8269   49.197   6.8219   51.070   10.154   47.655   9.2104  130.775   14.369  127.111   13.409 3.664375 19.65376 
1 1 1  -13    8   66 o   61.850   15.374   13.260   6.4110   17.021   9.5800   10.210   8.6277   67.979   22.448   55.722   21.012 12.25680 30.74760 
1 1 1  -13    8   67 o   44.891   14.647  -2.1813   8.5203  -9.4707   12.229   4.6959   11.878   39.787   19.167   49.994   22.154 -10.20689 29.29468 
1 1 1  -13    9    1 o  438.607   8.3644  518.061   19.748  551.576   29.544  490.991   26.551  451.340   12.114  425.874   11.538 25.46585 16.72878 
1 1 1  -13    9    2 o  540.747   9.8498  791.210   28.750  814.640   41.850  770.270   39.564  548.296   14.125  533.198   13.732 15.09747 19.69962 
1 1 1  -13    9    3 o  284.415   6.5239  218.827   10.026  214.617   14.138  223.086   14.219  281.661   9.2891  287.169   9.1630 -5.508148 13.04789 
1 1 1  -13    9    4 o   77.808   9.5789   16.694   3.9203   16.383   5.8040   16.955   5.3165   76.488   14.575   79.127   12.434 -2.639435 19.15785 
1 1 1  -13    9    5 o  430.960   8.2925  502.214   19.297  487.613   26.676  518.243   27.950  424.404   11.632  437.517   11.822 -13.11276 16.58501 
1 1 1  -13    9    6 f  481.402   7.8093  631.203   19.300  614.414   32.674  640.200   23.919  476.318   12.694  486.485   9.0990 -10.16672 15.61856 
1 1 1  -13    9    7 o  202.448   4.5513  110.723   4.9671  111.890   7.2984  109.716   6.7792  203.437   6.6391  201.459   6.2274 1.978119 9.102653 
1 1 1  -13    9    8 o  311.264   4.9276  261.957   8.2872  257.477   11.713  266.448   11.727  308.598   7.0239  313.931   6.9130 -5.333344 9.855216 
1 1 1  -13    9    9 f  370.736   5.4109  371.679   10.839  368.410   15.388  374.897   15.269  369.115   7.7151  372.356   7.5886 -3.240387 10.82174 
1 1 1  -13    9   10 f  142.789   7.3017   53.818   5.5387   62.500   8.8796   48.288   7.0863  151.976   10.813  133.602   9.8155 18.37335 14.60336 
1 1 1  -13    9   11 o  491.654   9.2550  653.215   24.558  627.928   33.726  681.757   35.830  481.557   12.961  501.751   13.215 -20.19443 18.51001 
1 1 1  -13    9   12 o  618.829   9.5883  1040.22   30.438  1047.06   37.615  1027.25   51.806  622.019   11.191  615.639   15.573 6.380127 19.17666 
1 1 1  -13    9   13 o  633.737   8.0165  1086.81   27.450  1091.73   39.108  1082.04   38.540  635.145   11.395  632.329   11.279 2.815674 16.03306 
1 1 1  -13    9   14 o  712.295   8.8712  1372.92   34.134  1390.01   49.018  1356.84   47.561  716.585   12.659  708.006   12.432 8.578918 17.74242 
1 1 1  -13    9   15 o  600.382   7.6590  975.060   24.844  980.516   35.490  969.817   34.790  602.023   10.909  598.741   10.753 3.282166 15.31798 
1 1 1  -13    9   16 o  515.037   6.7694  717.194   18.833  724.281   27.049  710.526   26.237  517.500   9.6730  512.573   9.4726 4.927002 13.53874 
1 1 1  -13    9   17 o  785.615   9.6887  1670.77   41.130  1669.82   58.268  1671.71   58.066  785.389   13.729  785.840   13.674 -0.4507446 19.37737 
1 1 1  -13    9   18 o  861.233   10.541  2008.27   49.050  2019.90   69.907  1996.99   68.840  863.679   14.979  858.786   14.834 4.892700 21.08132 
1 1 1  -13    9   19 o  123.093   6.1827   41.509   4.0562   36.476   6.0106   45.718   5.4964  116.141   9.5772  130.045   7.8217 -13.90335 12.36533 
1 1 1  -13    9   20 o  681.321   8.5453  1255.71   31.458  1260.14   44.795  1251.40   44.189  682.503   12.146  680.139   12.023 2.363220 17.09056 
1 1 1  -13    9   21 o  287.077   5.0607  222.867   7.8465  217.827   11.189  227.744   11.006  283.880   7.2943  290.275   7.0168 -6.394806 10.12141 
1 1 1  -13    9   22 o  911.145   11.114  2246.44   54.701  2277.65   78.636  2217.19   76.141  917.257   15.865  905.034   15.569 12.22333 22.22838 
1 1 1  -13    9   23 o  202.242   4.8879  110.312   5.3327  114.520   7.8215  106.657   7.2897  205.837   7.0320  198.648   6.7911 7.189453 9.775858 
1 1 1  -13    9   24 o  566.924   7.3463  869.067   22.504  857.098   31.617  881.354   32.036  562.969   10.393  570.880   10.385 -7.911011 14.69256 
1 1 1  -13    9   25 o  527.126   6.9753  751.373   19.867  751.554   28.289  751.197   27.906  527.186   9.9305  527.067   9.7980 0.1190796 13.95050 
1 1 1  -13    9   26 o  535.115   7.0561  772.823   20.379  744.115   27.997  805.177   29.721  524.570   9.8768  545.659   10.080 -21.08905 14.11228 
1 1 1  -13    9   27 o  982.743   11.943  2616.12   63.421  2604.61   89.444  2627.75   89.940  980.572   16.881  984.915   16.899 -4.343079 23.88591 
1 1 1  -13    9   28 o  288.801   5.3762  225.410   8.3841  227.243   12.106  223.720   11.623  289.926   7.7273  287.675   7.4767 2.251068 10.75234 
1 1 1  -13    9   29 o  475.422   6.5787  611.137   16.899  598.292   23.709  624.402   24.092  470.344   9.3284  480.500   9.2790 -10.15594 13.15742 
1 1 1  -13    9   30 o  438.199   6.3074  518.841   14.929  501.908   20.754  536.994   21.489  430.798   8.9154  445.600   8.9247 -14.80264 12.61481 
1 1 1  -13    9   31 o  493.105   6.8127  655.866   18.124  626.455   24.785  689.668   26.570  481.262   9.5304  504.948   9.7378 -23.68579 13.62548 
1 1 1  -13    9   32 f  123.828   8.6832   41.498   5.8046   41.705   8.4032   41.308   8.0275  124.119   12.529  123.537   12.025 0.5820770 17.36630 
1 1 1  -13    9   33 o  551.144   7.3943  821.474   22.015  801.438   30.694  842.699   31.593  544.229   10.437  558.059   10.477 -13.83026 14.78857 
1 1 1  -13    9   34 o  127.430   9.2348   43.986   6.3572   42.856   8.9980   45.112   8.9830  125.791   13.238  129.068   12.880 -3.277176 18.46957 
1 1 1  -13    9   35 o  236.554   6.1837  150.865   7.8898  139.572   10.825  163.665   11.524  227.139   8.8193  245.968   8.6703 -18.82889 12.36743 
1 1 1  -13    9   36 o  500.976   7.0029  678.433   18.945  654.077   26.226  705.013   27.397  491.588   9.8729  510.365   9.9341 -18.77634 14.00573 
1 1 1  -13    9   37 o  448.377   6.5243  543.992   15.806  534.203   22.200  554.054   22.509  444.285   9.2472  452.468   9.2062 -8.182648 13.04861 
1 1 1  -13    9   38 f  538.874   7.3165  786.458   21.296  793.112   30.607  780.213   29.651  541.067   10.469  536.682   10.224 4.384583 14.63307 
1 1 1  -13    9   39 o  256.361   6.0397  178.033   8.3611  172.731   11.916  183.177   11.735  252.587   8.7300  260.135   8.3484 -7.548584 12.07932 
1 1 1  -13    9   40 o  110.601   14.140   33.650   8.2510   37.860   12.388   30.293   11.061  117.717   19.475  103.484   20.506 14.23224 28.28043 
1 1 1  -13    9   41 o  335.544   8.2475  305.694   14.948  295.270   21.091  316.216   21.190  329.772   11.836  341.317   11.489 -11.54468 16.49498 
1 1 1  -13    9   42 o  142.857   12.173   55.476   9.3971   55.476   9.3971   0.0000   0.0000  142.857   12.173  ?   ?       ?      ? 
1 1 1  -13    9   43 o   81.636   16.972   18.627   7.9633   21.110   11.914   16.622   10.706   86.068   24.462   77.204   23.533 8.864746 33.94378 
1 1 1  -13    9   44 o  136.822   12.340   51.980   8.9963   42.748   12.850   60.856   12.599  124.554   19.092  149.089   15.639 -24.53573 24.67950 
1 1 1  -13    9   45 o  344.944   5.9721  322.608   11.113  328.569   16.251  317.371   15.232  347.897   8.6446  341.991   8.2422 5.906158 11.94421 
1 1 1  -13    9   46 o  283.338   5.7657  217.025   8.7982  227.638   13.097  208.296   11.878  289.593   8.3692  277.082   7.9329 12.51135 11.53142 
1 1 1  -13    9   47 o  234.157   5.9889  147.428   7.5295  162.699   11.468  135.856   9.9828  244.673   8.6735  223.641   8.2606 21.03194 11.97782 
1 1 1  -13    9   48 o  318.823   5.7988  275.053   9.9588  292.066   14.817  261.035   13.450  327.734   8.3667  309.912   8.0312 17.82169 11.59756 
1 1 1  -13    9   49 o  111.437   9.2377   34.267   5.5237   32.694   8.1977   35.575   7.4757  108.959   13.923  113.916   12.144 -4.956764 18.47549 
1 1 1  -13    9   50 o   62.621   13.947   10.848   5.3015   13.144   7.7472   8.8245   7.2705   67.580   19.884   57.662   19.563 9.917645 27.89467 
1 1 1  -13    9   51 o  165.745   6.8672   75.174   6.1458   74.468   8.8399   75.834   8.5504  164.948   9.9177  166.542   9.5011 -1.593536 13.73434 
1 1 1  -13    9   52 o  188.065   6.4196   96.554   6.4930   98.070   9.6963   95.322   8.7425  189.301   9.4790  186.828   8.6598 2.473572 12.83914 
1 1 1  -13    9   53 o   81.121   12.750   19.268   5.4395   21.401   7.9984   17.432   7.4194   85.382   17.908   76.860   18.154 8.521812 25.49997 
1 1 1  -13    9   54 o  227.723   6.0903  142.463   7.4681  135.320   10.845  148.906   10.299  222.123   9.0353  233.324   8.1688 -11.20108 12.18056 
1 1 1  -13    9   55 o  103.515   10.051   30.135   5.6179   30.403   8.1215   29.889   7.7794  103.883   14.468  103.147   13.957 0.7358170 20.10283 
1 1 1  -13    9   56 o  234.314   6.0430  150.634   7.6183  152.056   11.333  149.462   10.291  235.154   8.9184  233.473   8.1567 1.681320 12.08594 
1 1 1  -13    9   57 o   81.411   13.340   20.457   5.7718   16.887   8.5920   23.394   7.7916   74.017   20.682   88.805   16.853 -14.78815 26.67943 
1 1 1  -13    9   58 o  153.692   7.7011   66.403   6.3391   59.835   9.2682   72.177   8.6895  146.104   11.739  161.280   9.9707 -15.17624 15.40222 
1 1 1  -13    9   59 o  227.788   7.8936  145.566   9.2431  145.991   11.460  144.775   15.635  229.549   9.2389  226.026   12.802 3.523544 15.78724 
1 1 1  -13    9   60 o  176.391   7.2338   86.824   6.8571   85.968   10.211   87.528   9.2539  175.297   10.780  177.486   9.6488 -2.188889 14.46755 
1 1 1  -13    9   61 o   85.165   14.505   26.499   7.1299   10.275   12.774   33.841   8.5930   62.454   24.985  107.875   14.741 -45.42143 29.00924 
1 1 1  -13    9   62 o   66.104   14.267   13.228   5.8991   21.102   8.8738   6.9920   7.8967   80.422   20.391   51.786   19.961 28.63591 28.53495 
1 1 1  -13    9   63 o   41.173   13.007  -2.5229   6.2687 -10.1021   9.4365   3.4637   8.3867   35.625   17.077   46.722   19.625 -11.09756 26.01456 
1 1 1  -13    9   64 o   79.021   14.923   20.047   6.5506   26.908   10.068   15.010   8.6265   90.500   20.993   67.543   21.215 22.95726 29.84657 
1 1 1  -13    9   65 o   63.760   14.952   14.666   6.4126   8.4860   9.2097   20.482   8.9341   52.563   21.148   74.957   21.141 -22.39346 29.90345 
1 1 1  -13    9   66 o  106.741   14.843   36.846   7.7713   45.113   14.293   33.376   9.2597  110.274   24.610  103.208   16.603 7.066490 29.68695 
1 1 1  -13    9   67 f  108.483   16.397   47.532   9.8099   28.784   14.251   64.414   13.524   78.515   27.362  138.452   18.077 -59.93649 32.79355 
1 1 1  -13   10    1 f  398.932   6.8685  430.568   14.039  430.405   24.032  430.652   17.297  398.795   11.152  399.069   8.0212 -0.2736206 13.73692 
1 1 1  -13   10    2 f  165.941   6.9295   74.447   6.2136   0.0000   0.0000   74.447   6.2136  ?   ?   165.941   6.9295      ?      ? 
1 1 1  -13   10    3 o  279.695   4.9263  211.513   7.4442  206.719   10.513  216.333   10.543  276.515   7.0358  282.875   6.8971 -6.360413 9.852534 
1 1 1  -13   10    4 o  581.526   7.4792  915.046   23.502  913.889   33.306  916.194   33.168  581.158   10.606  581.895   10.548 -0.7369385 14.95831 
1 1 1  -13   10    6 o  132.283   7.5440   47.314   5.3925   0.0000   0.0000   47.314   5.3925  ?   ?   132.283   7.5440      ?      ? 
1 1 1  -13   10    7 o  710.232   8.8718  1365.44   34.045  1348.93   47.710  1382.57   48.596  705.863   12.508  714.601   12.585 -8.738220 17.74365 
1 1 1  -13   10    8 o  298.503   6.2562  229.421   9.0410  267.117   17.750  216.215   10.506  314.205   10.454  282.801   6.8749 31.40417 12.51238 
1 1 1  -13   10    9 o  430.073   8.5563  500.697   19.879  499.775   28.448  501.577   27.789  429.676   12.252  430.470   11.947 -0.7942200 17.11263 
1 1 1  -13   10   10 o  245.177   6.8480  162.571   9.0561  163.086   13.222  162.117   12.429  245.533   9.9655  244.820   9.3952 0.7133331 13.69605 
1 1 1  -13   10   11 o  533.197   7.0061  768.000   20.169  745.163   27.831  793.258   29.270  524.866   9.8128  541.528   10.003 -16.66113 14.01223 
1 1 1  -13   10   12 o  608.849   7.7743  1002.90   25.576  1004.06   36.359  1001.77   35.985  609.193   11.045  608.506   10.944 0.6879883 15.54864 
1 1 1  -13   10   13 f  264.924   4.8288  189.446   6.9002  194.099   10.115  185.396   9.4367  267.959   6.9860  261.889   6.6683 6.070099 9.657643 
1 1 1  -13   10   14 o  435.707   6.0413  513.341   14.223  509.062   20.176  517.568   20.053  433.900   8.6050  437.514   8.4819 -3.614532 12.08258 
1 1 1  -13   10   15 o  232.843   4.7851  146.595   6.0102  145.781   8.7494  147.323   8.2702  232.227   6.9724  233.459   6.5556 -1.232056 9.570280 
1 1 1  -13   10   16 o  923.778   11.264  2311.43   56.227  2310.80   79.644  2312.05   79.390  923.650   15.957  923.906   15.902 -0.2561035 22.52788 
1 1 1  -13   10   17 o  624.331   7.9489  1053.95   26.811  1034.36   37.431  1074.60   38.420  618.376   11.202  630.286   11.281 -11.90985 15.89770 
1 1 1  -13   10   18 o  333.773   5.2719  301.124   9.5033  301.672   13.670  300.611   13.221  334.065   7.5724  333.482   7.3369 0.5829468 10.54377 
1 1 1  -13   10   19 o  682.820   8.5958  1261.22   31.716  1254.71   44.833  1267.75   44.873  681.052   12.182  684.587   12.130 -3.534790 17.19156 
1 1 1  -13   10   20 o  895.728   10.951  2171.79   53.006  2171.72   75.057  2171.86   74.867  895.711   15.507  895.745   15.467 -0.3375244E-01 21.90240 
1 1 1  -13   10   21 o  1095.10   13.222  3248.56   78.230  3278.50  111.805  3219.84  109.500  1100.02   18.809  1090.17   18.588 9.849976 26.44429 
1 1 1  -13   10   22 o  345.929   5.4301  323.456   10.147  324.386   14.544  322.575   14.164  346.411   7.7697  345.447   7.5877 0.9645996 10.86010 
1 1 1  -13   10   23 o  120.573   10.111   39.314   6.5877   39.314   6.5877   0.0000   0.0000  120.573   10.111  ?   ?       ?      ? 
1 1 1  -13   10   24 o  222.455   5.1027  133.752   6.1252  133.999   8.9059  133.531   8.4377  222.647   7.4024  222.263   7.0254 0.3837128 10.20546 
1 1 1  -13   10   25 f  360.591   5.6258  351.456   10.957  337.795   15.393  365.490   15.602  353.486   8.0586  367.697   7.8522 -14.21091 11.25159 
1 1 1  -13   10   26 o  815.296   10.076  1797.29   44.357  1750.80   61.263  1848.52   64.307  804.243   14.097  826.349   14.401 -22.10565 20.15257 
1 1 1  -13   10   27 o  678.869   8.6047  1246.52   31.557  1223.64   44.026  1270.70   45.257  672.469   12.116  685.269   12.222 -12.79987 17.20932 
1 1 1  -13   10   28 o  505.980   6.8817  692.267   18.813  677.044   26.364  708.060   26.853  500.313   9.7518  511.647   9.7125 -11.33408 13.76334 
1 1 1  -13   10   29 o  423.352   6.1905  484.414   14.158  471.304   19.751  498.269   20.304  417.464   8.7557  429.240   8.7538 -11.77643 12.38107 
1 1 1  -13   10   30 o  598.718   7.8449  968.556   25.361  934.796   35.040  1005.70   36.752  587.782   11.032  609.654   11.156 -21.87268 15.68975 
1 1 1  -13   10   31 o  463.298   6.6083  580.514   16.541  566.131   23.270  595.205   23.518  457.494   9.4128  469.102   9.2779 -11.60791 13.21664 
1 1 1  -13   10   32 o  362.680   6.0472  355.428   11.844  338.083   16.500  373.862   17.010  353.557   8.6365  371.802   8.4667 -18.24503 12.09434 
1 1 1  -13   10   33 o  558.202   7.5246  835.879   22.574  775.954   30.075  913.212   34.165  535.506   10.393  580.899   10.884 -45.39301 15.04922 
1 1 1  -13   10   34 o  590.575   7.8109  942.887   24.907  909.936   34.405  979.173   36.105  579.756   10.982  601.395   11.110 -21.63849 15.62173 
1 1 1  -13   10   35 o  239.490   6.2944  155.611   8.1085  150.243   11.935  160.213   11.051  235.625   9.3734  243.355   8.4036 -7.730057 12.58887 
1 1 1  -13   10   36 o  351.376   6.0259  334.064   11.441  331.877   16.222  336.228   16.138  350.229   8.5717  352.523   8.4719 -2.294312 12.05189 
1 1 1  -13   10   37 o   60.662   14.595   8.3013   6.0450   14.184   8.7557   2.9431   8.3563   71.540   21.164   49.783   20.104 21.75776 29.19092 
1 1 1  -13   10   38 o  414.987   6.3976  465.198   14.329  438.727   19.730  494.740   20.844  402.523   9.0711  427.452   9.0240 -24.92871 12.79515 
1 1 1  -13   10   39 o  321.808   8.1948  280.976   14.238  266.667   20.063  295.496   20.210  313.523   11.842  330.092   11.330 -16.56921 16.38951 
1 1 1  -13   10   40 f  475.578   9.5062  614.687   24.421  620.721   35.074  609.009   34.022  477.812   13.585  473.344   13.301 4.468079 19.01231 
1 1 1  -13   10   41 o  225.037   9.0082  137.273   10.954  137.273   10.954   0.0000   0.0000  225.037   9.0082  ?   ?       ?      ? 
1 1 1  -13   10   42 o  404.812   8.9295  445.868   19.528  432.207   27.429  459.910   27.809  398.500   12.738  411.124   12.518 -12.62418 17.85891 
1 1 1  -13   10   43 o  277.322   8.5184  209.773   12.727  191.374   18.004  228.153   17.994  265.050   12.571  289.594   11.499 -24.54434 17.03674 
1 1 1  -13   10   44 o  595.927   9.7735  977.676   29.734  950.000   50.837  992.068   36.659  588.280   15.992  603.575   11.240 -15.29510 19.54704 
1 1 1  -13   10   45 o  277.034   5.8569  207.988   8.7359  211.612   12.967  204.977   11.822  279.194   8.5947  274.875   7.9588 4.319000 11.71373 
1 1 1  -13   10   46 o  126.365   8.5492   42.842   5.7680   53.437   8.7744   34.780   7.6543  139.934   11.604  112.796   12.558 27.13805 17.09839 
1 1 1  -13   10   47 o   80.069   12.179   17.720   5.2613   25.429   7.9303   11.659   7.0317   96.025   15.283   64.114   18.967 31.91106 24.35794 
1 1 1  -13   10   48 o  194.683   6.4339  102.925   6.7240  105.782   10.165  100.702   8.9655  196.999   9.5493  192.367   8.6250 4.632751 12.86776 
1 1 1  -13   10   49 o   75.711   13.153   16.125   5.4833   23.509   8.2593   10.306   7.3322   90.394   17.542   61.027   19.604 29.36713 26.30619 
1 1 1  -13   10   50 f   51.383   13.758   4.8573   5.3852   9.1173   8.0287   1.3734   7.2606   59.019   20.539   43.747   18.311 15.27187 27.51579 
1 1 1  -13   10   51 o  122.377   13.044   41.424   8.6260   41.424   8.6260   0.0000   0.0000  122.377   13.044  ?   ?       ?      ? 
1 1 1  -13   10   52 f  188.017   6.5109   96.283   6.5759  100.944   9.9417   92.657   8.7680  191.942   9.5853  184.092   8.8141 7.849335 13.02174 
1 1 1  -13   10   53 o  262.448   5.9332  188.935   8.3917  176.489   12.013  200.794   11.727  253.840   8.7582  271.057   8.0065 -17.21767 11.86635 
1 1 1  -13   10   54 o  328.973   5.9368  296.775   10.539  284.631   15.081  308.368   14.735  322.245   8.6606  335.702   8.1227 -13.45712 11.87366 
1 1 1  -13   10   55 o  152.626   7.6762   64.751   6.2599   63.290   9.5278   65.861   8.3035  150.798   11.693  154.455   9.9489 -3.656998 15.35236 
1 1 1  -13   10   56 o   87.298   12.437   22.367   5.7565   28.369   8.4078   17.070   7.8980   99.690   15.608   74.907   19.369 24.78281 24.87486 
1 1 1  -13   10   57 o   44.381   13.206   0.1674   5.5150   6.2810   8.5866  -4.1257   7.1954   53.059   20.713   35.702   16.386 17.35686 26.41118 
1 1 1  -13   10   58 o   35.069   11.955 -11.8561   6.6041  -9.1131   8.2853 -16.6351   10.936   34.158   16.272   35.980   17.519 -1.821342 23.90976 
1 1 1  -13   10   59 o   99.718   11.465   29.188   6.0290   32.390   8.7531   26.297   8.3162  105.873   15.300   93.564   17.078 12.30833 22.92902 
1 1 1  -13   10   60 o  192.941   8.8952  106.117   8.3428  105.428   15.564  106.395   9.8826  190.309   15.134  195.573   9.3514 -5.263565 17.79039 
1 1 1  -13   10   61 o   54.249   13.826   5.5837   6.3010  -6.4186   9.2913   15.804   8.5739   38.490   17.993   70.008   20.997 -31.51751 27.65177 
1 1 1  -13   10   62 o   48.495   14.251   4.4914   6.1378   3.9877   9.2244   4.8916   8.2222   48.630   20.512   48.360   19.788 0.2696877 28.50115 
1 1 1  -13   10   63 o   50.704   14.803   5.1114   6.5858   3.6670   9.9747   6.2276   8.7689   49.822   21.187   51.586   20.678 -1.763176 29.60551 
1 1 1  -13   10   64 o   48.939   14.312   3.6224   6.3380   10.337   9.6874  -1.4025   8.3805   57.735   22.146   40.144   18.134 17.59103 28.62343 
1 1 1  -13   10   65 o  212.100   7.2196  128.810   8.2513  136.378   12.239  122.504   11.172  217.532   10.412  206.668   10.004 10.86380 14.43925 
1 1 1  -13   10   66 o   43.627   14.448  -5.6958   9.0165 -18.0653   13.736   3.6689   11.952   38.046   18.750   49.209   21.988 -11.16239 28.89675 
1 1 1  -13   11    1 o  109.043   6.7447   32.439   3.9313   27.215   5.5987   37.520   5.5214  100.298   10.330  117.787   8.6748 -17.48945 13.48948 
1 1 1  -13   11    2 f  751.245   9.3450  1527.79   37.928  1544.42   54.283  1511.93   53.017  755.227   13.301  747.263   13.130 7.964111 18.68994 
1 1 1  -13   11    3 f  611.367   11.077  1011.39   36.593   0.0000   0.0000  1011.39   36.593  ?   ?   611.367   11.077      ?      ? 
1 1 1  -13   11    4 o  1211.63   14.598  3986.42   95.564  3946.88  133.852  4027.52  136.482  1205.54   20.547  1217.73   20.741 -12.19385 29.19582 
1 1 1  -13   11    5 o  1221.88   14.708  4054.72   97.113  4042.05  136.949  4067.54  137.731  1219.96   20.774  1223.79   20.828 -3.824829 29.41686 
1 1 1  -13   11    6 o  827.219   12.491  1863.97   52.893  1829.28   90.258  1882.12   65.275  820.837   20.349  833.602   14.491 -12.76556 24.98147 
1 1 1  -13   11    7 o  363.438   7.9816  356.768   15.661  338.288   21.656  377.027   22.674  353.587   11.334  373.289   11.241 -19.70120 15.96327 
1 1 1  -13   11    8 o  330.674   7.5765  295.621   13.532  283.108   18.899  308.784   19.383  323.494   10.812  337.853   10.617 -14.35864 15.15308 
1 1 1  -13   11    9 f  741.157   11.346  1481.29   42.606  1468.36   51.801  1508.33   74.907  736.530   13.016  745.783   18.588 -9.252808 22.69140 
1 1 1  -13   11   10 o  452.376   8.7511  553.360   21.392   0.0000   0.0000  553.360   21.392  ?   ?   452.376   8.7511      ?      ? 
1 1 1  -13   11   11 o  558.295   7.2738  842.925   21.942  831.032   30.798  855.185   31.269  554.296   10.282  562.293   10.291 -7.996765 14.54769 
1 1 1  -13   11   12 o  576.881   7.5094  900.108   23.408  888.656   32.941  911.790   33.269  573.174   10.635  580.589   10.604 -7.414612 15.01873 
1 1 1  -13   11   13 o  658.025   8.3322  1171.51   29.627  1168.27   41.957  1174.74   41.840  657.114   11.816  658.936   11.751 -1.822632 16.66436 
1 1 1  -13   11   14 o  440.758   6.1476  525.002   14.632  532.031   21.132  518.527   20.281  443.587   8.8159  437.930   8.5704 5.656952 12.29519 
1 1 1  -13   11   15 o  496.021   6.6802  665.257   17.904  655.499   25.240  675.141   25.402  492.358   9.4868  499.684   9.4077 -7.325897 13.36049 
1 1 1  -13   11   16 o  857.843   10.549  1992.04   48.902  1985.94   69.179  1998.12   69.136  856.528   14.947  859.158   14.892 -2.629150 21.09892 
1 1 1  -13   11   17 o  588.655   7.6159  936.890   24.218  945.323   34.726  928.904   33.793  591.229   10.869  586.082   10.671 5.146912 15.23172 
1 1 1  -13   11   18 o  503.498   6.7605  685.378   18.389  687.758   26.303  683.101   25.720  504.350   9.6514  502.647   9.4693 1.703613 13.52099 
1 1 1  -13   11   19 o  841.787   10.363  1917.53   47.131  1932.12   67.320  1903.50   66.007  844.920   14.745  838.655   14.565 6.265442 20.72578 
1 1 1  -13   11   20 o  687.395   8.6686  1278.24   32.199  1270.42   45.458  1286.11   45.615  685.284   12.276  689.507   12.243 -4.223389 17.33727 
1 1 1  -13   11   21 o  693.043   8.7224  1299.40   32.664  1301.81   46.427  1297.05   45.964  693.674   12.386  692.412   12.285 1.262695 17.44486 
1 1 1  -13   11   22 o  657.058   8.3589  1167.66   29.672  1177.68   42.487  1158.12   41.456  659.802   11.917  654.314   11.725 5.487305 16.71771 
1 1 1  -13   11   23 o  984.128   11.966  2622.85   63.624  2592.70   89.091  2654.23   90.892  978.368   16.852  989.888   16.992 -11.52051 23.93146 
1 1 1  -13   11   24 o  1008.34   12.253  2753.90   66.751  2719.59   93.362  2789.77   95.475  1001.93   17.244  1014.75   17.412 -12.81946 24.50565 
1 1 1  -13   11   25 o  571.705   7.5103  883.032   23.186  856.587   32.081  911.952   33.549  562.758   10.550  580.652   10.692 -17.89337 15.02064 
1 1 1  -13   11   26 o  583.064   7.6453  919.595   24.087  906.293   33.896  933.162   34.233  578.804   10.838  587.324   10.787 -8.520691 15.29064 
1 1 1  -13   11   27 o  693.267   8.7870  1298.22   32.872  1251.46   45.066  1351.38   48.055  679.971   12.265  706.563   12.586 -26.59143 17.57397 
1 1 1  -13   11   28 o  226.022   5.9567  138.217   7.2656  136.620   10.515  139.676   10.051  224.766   8.6575  227.277   8.1839 -2.510941 11.91337 
1 1 1  -13   11   29 o  307.801   5.9660  256.259   9.9171  245.495   13.994  267.117   14.056  301.302   8.5952  314.300   8.2761 -12.99844 11.93193 
1 1 1  -13   11   30 o  920.102   11.333  2295.00   56.343  2298.08   80.083  2291.98   79.285  920.700   16.097  919.505   15.957 1.195801 22.66553 
1 1 1  -13   11   31 o  145.490   8.8129   57.292   6.9257   58.007   9.9615   56.622   9.6354  146.365   12.595  144.614   12.330 1.751740 17.62586 
1 1 1  -13   11   32 o  1017.42   12.430  2808.95   68.335  2811.90   97.022  2806.04   96.262  1017.94   17.638  1016.91   17.518 1.031433 24.85950 
1 1 1  -13   11   33 f  872.966   10.816  2066.03   51.005  2026.47   71.028  2108.16   73.290  864.362   15.207  881.570   15.385 -17.20764 21.63222 
1 1 1  -13   11   34 o  689.422   8.8598  1286.25   32.981  1248.55   45.563  1327.74   47.801  678.841   12.421  700.003   12.637 -21.16235 17.71959 
1 1 1  -13   11   35 o  733.359   9.3136  1455.85   36.872  1411.02   50.795  1505.78   53.609  721.470   13.029  745.248   13.312 -23.77808 18.62727 
1 1 1  -13   11   36 o  628.991   8.2303  1072.48   27.973  1064.67   39.545  1080.31   39.575  626.690   11.678  631.291   11.601 -4.600769 16.46062 
1 1 1  -13   11   37 o  610.357   8.0534  1009.03   26.548  978.141   36.838  1042.41   38.294  600.654   11.350  620.059   11.429 -19.40527 16.10687 
1 1 1  -13   11   38 o  209.620   9.3868  120.762   10.492  100.766   15.098  139.437   14.591  192.532   14.512  226.708   11.910 -34.17607 18.77356 
1 1 1  -13   11   39 o  528.263   10.183  758.311   29.049  728.604   40.270  790.541   41.944  517.490   14.401  539.037   14.400 -21.54700 20.36548 
1 1 1  -13   11   40 o   67.997   22.028   12.378   9.2432   12.378   9.2432   0.0000   0.0000   67.997   22.028  ?   ?       ?      ? 
1 1 1  -13   11   41 o  377.332   8.8366  387.152   17.997  391.892   26.145  382.883   24.811  379.472   12.750  375.192   12.238 4.280396 17.67313 
1 1 1  -13   11   42 o  361.191   8.6655  354.014   16.843  367.568   25.168  343.018   22.668  367.335   12.679  355.047   11.815 12.28854 17.33104 
1 1 1  -13   11   43 o  109.732   13.961   37.767   7.0939   25.518   12.869   43.114   8.5024   93.745   24.961  125.718   12.516 -31.97242 27.92259 
1 1 1  -13   11   44 o  263.349   5.8474  187.104   8.2711  197.819   12.529  178.828   11.011  269.947   8.5893  256.751   7.9367 13.19601 11.69473 
1 1 1  -13   11   45 o  364.214   6.0375  360.451   11.872  356.283   17.102  364.327   16.493  362.136   8.7394  366.293   8.3324 -4.156677 12.07505 
1 1 1  -13   11   46 o   50.700   13.588   4.9128   5.3286   0.5334   8.1541   8.1771   7.0398   45.172   19.182   56.229   19.250 -11.05678 27.17519 
1 1 1  -13   11   47 o  298.168   5.8449  241.875   9.3644  240.783   13.986  242.762   12.608  297.453   8.7011  298.883   7.8064 -1.429474 11.68973 
1 1 1  -13   11   48 o  252.308   5.9060  172.629   7.9920  178.111   12.144  168.441   10.614  255.732   8.7883  248.885   7.8923 6.847855 11.81194 
1 1 1  -13   11   49 o  137.228   8.1394   51.540   6.0166   53.602   8.9344   49.828   8.1387  139.669   11.838  134.786   11.174 4.882919 16.27889 
1 1 1  -13   11   50 o   67.687   13.755   13.405   5.5930   7.5221   8.2673   18.369   7.5947   56.157   20.687   79.218   18.133 -23.06106 27.50921 
1 1 1  -13   11   51 o  246.167   5.9730  164.912   7.9118  171.214   11.829  159.810   10.643  250.315   8.7454  242.018   8.1378 8.297119 11.94597 
1 1 1  -13   11   52 o  120.529   9.3557   40.978   5.9880   36.679   9.0366   44.343   7.9953  114.427   14.615  126.630   11.685 -12.20197 18.71144 
1 1 1  -13   11   53 o   50.244   14.012   4.7332   5.6535   2.6861   8.4116   6.4199   7.6352   47.920   19.853   52.567   19.778 -4.646908 28.02375 
1 1 1  -13   11   54 o   65.055   12.516   9.1724   5.7463   25.115   8.6681  -3.3271   7.6751   91.917   18.096   38.193   17.295 53.72412 25.03131 
1 1 1  -13   11   55 o   97.028   11.441   26.605   5.7977   33.235   8.9926   21.889   7.5844  108.052   15.402   86.005   16.922 22.04729 22.88174 
1 1 1  -13   11   56 f   53.729   14.130   6.3497   5.6061   11.398   8.5726   2.5777   7.4102   62.458   21.243   45.000   18.638 17.45797 28.25991 
1 1 1  -13   11   57 o  131.693   11.239   50.833   7.6382   52.826   9.6318   47.455   12.538  136.632   13.046  126.754   18.306 9.877991 22.47863 
1 1 1  -13   11   58 f   99.170   14.457   29.889   7.2369   27.826   8.9961   33.671   12.183   95.743   18.051  102.597   22.586 -6.854492 28.91313 
1 1 1  -13   11   59 o  199.113   8.6909  111.229   8.3959  114.414   15.869  109.991   9.8941  199.088   14.751  199.138   9.1946 -0.5003357E-01 17.38183 
1 1 1  -13   11   60 o  174.372   7.8464   86.474   7.3177   77.045   10.702   94.752   10.028  164.735   12.023  184.009   10.085 -19.27451 15.69270 
1 1 1  -13   11   61 o   69.892   15.233   15.841   6.3782   20.612   9.6334   12.118   8.5108   78.209   21.916   61.575   21.162 16.63359 30.46578 
1 1 1  -13   11   62 o   99.524   13.182   32.850   6.6924   20.789   9.9931   42.659   9.0119   78.176   22.464  120.871   13.798 -42.69466 26.36332 
1 1 1  -13   11   63 o   47.906   14.078   0.6932   6.5458   10.858   9.7820  -7.5493   8.8087   59.793   22.408   36.018   17.048 23.77497 28.15603 
1 1 1  -13   11   64 o   84.378   13.810   26.484   6.7372   14.045   10.147   36.292   9.0099   61.279   22.850  107.477   15.514 -46.19759 27.61914 
1 1 1  -13   11   65 o   86.956   18.562   29.547   9.6902   40.135   14.633   21.277   12.932  100.952   26.491   72.960   26.008 27.99226 37.12418 
1 1 1  -13   11   66 o  259.590   9.7006  207.774   13.563  206.014   19.895  209.302   18.537  257.131   14.319  262.048   13.091 -4.917053 19.40119 
1 1 1  -13   12    1 o  1178.12   14.217  3765.80   90.509  3776.66  128.503  3755.10  127.500  1179.80   20.157  1176.45   20.056 3.348389 28.43487 
1 1 1  -13   12    2 o  215.402   5.1906  125.272   6.0294  127.807   8.8501  123.076   8.2365  217.430   7.5326  213.374   7.1435 4.055801 10.38119 
1 1 1  -13   12    3 o  728.877   12.890  1437.86   50.769   0.0000   0.0000  1437.86   50.769  ?   ?   728.877   12.890      ?      ? 
1 1 1  -13   12    4 o  795.899   12.128  1722.18   49.253  1700.00   84.739  1733.49   60.527  791.612   19.810  800.186   13.998 -8.573792 24.25662 
1 1 1  -13   12    5 o  571.461   10.676  883.745   32.952  860.811   45.812  908.333   47.434  563.790   15.037  579.133   15.157 -15.34265 21.35106 
1 1 1  -13   12    6 o  889.990   15.497  2150.59   74.529  2139.19  105.033  2162.16  105.771  887.617   21.898  892.363   21.935 -4.746033 30.99488 
1 1 1  -13   12    7 o  339.825   10.869  312.387   19.958   0.0000   0.0000  312.387   19.958  ?   ?   339.825   10.869      ?      ? 
1 1 1  -13   12    8 o  626.869   8.0310  1062.91   27.199  1072.99   38.907  1053.26   38.038  629.772   11.433  623.966   11.282 5.806519 16.06194 
1 1 1  -13   12    9 o  602.703   7.7746  982.350   25.314  993.709   36.290  971.587   35.327  606.090   11.081  599.317   10.908 6.773193 15.54911 
1 1 1  -13   12   10 o  424.896   6.0747  487.604   13.931  498.289   20.286  478.068   19.164  429.291   8.7450  420.501   8.4340 8.789978 12.14938 
1 1 1  -13   12   11 o  297.892   7.2154  239.875   11.615   0.0000   0.0000  239.875   11.615  ?   ?   297.892   7.2154      ?      ? 
1 1 1  -13   12   12 o  359.132   5.5675  348.723   10.802  342.204   15.312  355.182   15.242  355.788   7.9645  362.477   7.7817 -6.688385 11.13502 
1 1 1  -13   12   14 o  547.143   7.2274  809.421   21.367  798.848   30.032  820.260   30.406  543.525   10.225  550.761   10.217 -7.236450 14.45485 
1 1 1  -13   12   15 o  417.768   6.0434  471.558   13.639  456.891   19.048  486.986   19.537  411.105   8.5747  424.430   8.5185 -13.32523 12.08678 
1 1 1  -13   12   16 o  383.472   5.8037  397.370   12.022  383.644   16.843  411.629   17.166  376.721   8.2738  390.222   8.1410 -13.50110 11.60743 
1 1 1  -13   12   17 o  709.156   8.9194  1360.21   34.171  1373.09   48.951  1347.96   47.723  712.422   12.716  705.889   12.511 6.533569 17.83876 
1 1 1  -13   12   18 o  358.561   5.6208  347.587   10.889  343.261   15.442  351.865   15.358  356.341   8.0197  360.782   7.8777 -4.441772 11.24162 
1 1 1  -13   12   19 o  965.048   11.765  2522.31   61.350  2524.74   86.956  2519.90   86.569  965.507   16.667  964.589   16.608 0.9179077 23.52930 
1 1 1  -13   12   20 o  448.728   6.3428  544.005   15.374  527.608   21.402  561.487   22.099  441.747   8.9660  455.709   8.9741 -13.96185 12.68558 
1 1 1  -13   12   21 o  429.070   6.1904  497.842   14.350  491.988   20.432  503.539   20.158  426.577   8.8638  431.563   8.6440 -4.985748 12.38086 
1 1 1  -13   12   22 f  415.087   6.1291  465.773   13.746  457.426   19.329  474.315   19.554  411.323   8.6964  418.850   8.6393 -7.526520 12.25828 
1 1 1  -13   12   23 o  671.875   8.5630  1221.01   31.084  1201.16   43.500  1241.72   44.433  666.298   12.082  677.451   12.138 -11.15338 17.12598 
1 1 1  -13   12   24 o  861.408   10.622  2009.53   49.441  2008.12   70.017  2010.93   69.824  861.103   15.047  861.713   14.995 -0.6093140 21.24339 
1 1 1  -13   12   25 o  419.925   8.7395  476.853   19.831   0.0000   0.0000  476.853   19.831  ?   ?   419.925   8.7395      ?      ? 
1 1 1  -13   12   26 o  430.554   6.3726  501.323   14.825  491.126   20.882  511.683   21.049  426.138   9.0685  434.970   8.9555 -8.832489 12.74515 
1 1 1  -13   12   28 o  648.975   8.4041  1139.34   29.464  1114.20   41.108  1165.90   42.252  641.620   11.857  656.330   11.914 -14.70978 16.80816 
1 1 1  -13   12   29 o  443.003   6.5718  530.853   15.730  521.427   22.190  540.375   22.303  439.046   9.3533  446.959   9.2342 -7.912598 13.14365 
1 1 1  -13   12   30 o  445.374   6.6852  536.638   16.087  532.107   22.865  541.080   22.637  443.507   9.5409  447.241   9.3669 -3.734100 13.37042 
1 1 1  -13   12   31 o  588.670   7.8624  937.823   25.008  922.859   35.127  953.204   35.612  583.908   11.133  593.433   11.105 -9.524780 15.72480 
1 1 1  -13   12   32 o  228.347   6.6458  141.618   8.1671  128.612   11.656  154.162   11.447  217.991   9.8951  238.704   8.8744 -20.71278 13.29169 
1 1 1  -13   12   33 o  704.330   9.0260  1343.88   34.347  1321.53   48.058  1367.20   49.107  698.352   12.735  710.307   12.794 -11.95453 18.05190 
1 1 1  -13   12   34 o  862.704   10.723  2019.84   49.981  1993.82   70.029  2046.86   71.357  857.054   15.121  868.355   15.207 -11.30139 21.44548 
1 1 1  -13   12   35 o  195.771   7.0920  103.166   7.4563  109.408   11.308   98.365   9.9176  200.958   10.414  190.584   9.6302 10.37404 14.18397 
1 1 1  -13   12   36 o  272.192   6.3578  200.075   9.3112  206.171   13.912  195.128   12.532  275.915   9.3308  268.469   8.6385 7.446289 12.71565 
1 1 1  -13   12   37 o  456.375   9.3858  565.582   23.136  543.018   32.510  588.739   32.933  447.120   13.456  465.629   13.089 -18.50916 18.77169 
1 1 1  -13   12   38 o  290.507   8.3872  229.519   13.142  219.910   18.900  238.514   18.286  284.559   12.291  296.456   11.415 -11.89709 16.77434 
1 1 1  -13   12   39 f  330.248   7.9397  273.609   12.728  248.232   14.729  348.423   25.290  302.616   9.0073  357.879   13.078 -55.26251 15.87933 
1 1 1  -13   12   40 o  207.369   9.8474  117.194   11.034  118.018   15.625  116.374   15.585  208.100   13.895  206.638   13.958 1.462662 19.69477 
1 1 1  -13   12   41 o  217.204   9.6123  128.558   11.229  129.797   16.743  127.545   15.139  218.061   14.209  216.348   12.949 1.713135 19.22464 
1 1 1  -13   12   42 o   83.067   15.389   17.056   6.7165   29.437   12.250   11.735   8.0312  100.852   22.990   65.281   20.465 35.57153 30.77873 
1 1 1  -13   12   43 o  176.630   9.3367   84.763   8.9114   0.0000   0.0000   84.763   8.9114  ?   ?   176.630   9.3367      ?      ? 
1 1 1  -13   12   44 o  132.271   8.4789   47.248   6.0024   51.328   9.2822   44.316   7.8692  137.064   12.533  127.478   11.424 9.586281 16.95781 
1 1 1  -13   12   45 o  349.634   6.0050  332.624   11.329  325.372   16.361  339.304   15.702  345.902   8.7531  353.365   8.2234 -7.461975 12.01006 
1 1 1  -13   12   46 o   69.296   13.937   14.019   5.4927   11.384   8.6017   15.833   7.1374   64.601   21.268   73.991   18.019 -9.389854 27.87469 
1 1 1  -13   12   47 o  344.559   5.9595  323.484   11.080  313.469   15.935  332.860   15.418  339.310   8.6911  349.807   8.1565 -10.49692 11.91908 
1 1 1  -13   12   48 o  100.682   11.155   27.412   5.7084   40.897   9.0250   18.419   7.3698  121.691   13.725   79.672   17.589 42.01867 22.31001 
1 1 1  -13   12   49 o  267.598   5.8755  195.216   8.4534  195.953   12.611  194.615   11.391  267.934   8.7106  267.262   7.8876 0.6719666 11.75109 
1 1 1  -13   12   50 o  249.684   6.1299  171.257   8.2176  158.838   12.033  182.112   11.250  240.968   9.2408  258.401   8.0568 -17.43260 12.25985 
1 1 1  -13   12   51 o   68.414   14.469   13.974   5.8662   10.435   9.0332   16.555   7.7141   62.168   21.777   74.659   19.057 -12.49151 28.93783 
1 1 1  -13   12   52 o  135.026   8.5666   50.571   6.2177   50.927   9.2895   50.282   8.3689  135.277   12.708  134.775   11.491 0.5013275 17.13312 
1 1 1  -13   12   53 o  201.597   6.6071  111.781   7.1373  111.833   10.810  111.740   9.5030  201.407   9.9328  201.787   8.7153 -0.3802643 13.21427 
1 1 1  -13   12   54 o   45.646   12.657   0.7041   5.4821 -10.5835   8.2921   9.4683   7.3067   33.387   16.006   57.904   19.612 -24.51670 25.31432 
1 1 1  -13   12   55 o  202.402   6.6820  113.553   7.2632  108.291   10.729  118.005   9.8688  197.778   10.039  207.026   8.8217 -9.247742 13.36396 
1 1 1  -13   12   56 o  114.725   10.439   38.098   6.3699   31.492   9.1584   44.288   8.8656  104.298   16.250  125.152   13.109 -20.85394 20.87862 
1 1 1  -13   12   57 o  153.412   9.9525   65.401   7.9244   60.693   9.7816   74.392   13.517  146.593   12.348  160.231   15.612 -13.63751 19.90496 
1 1 1  -13   12   58 o  105.935   14.137   34.508   6.9753   34.122   13.460   34.650   8.1559  101.698   24.732  110.171   13.700 -8.473579 28.27306 
1 1 1  -13   12   59 o  179.041   9.6531   96.149   8.2134   82.905   15.197  101.614   9.7618  167.110   16.830  190.973   9.4596 -23.86343 19.30617 
1 1 1  -13   12   60 o  107.420   11.472   34.068   6.6268   36.911   9.9905   31.836   8.8552  111.138   16.636  103.702   15.802 7.436188 22.94466 
1 1 1  -13   12   61 o   52.481   14.493   6.1477   6.4313  -0.8320   9.4260   12.227   8.7971   43.389   19.447   61.573   21.495 -18.18414 28.98677 
1 1 1  -13   12   62 o  212.378   10.444  127.270   11.986  127.270   11.986   0.0000   0.0000  212.378   10.444  ?   ?       ?      ? 
1 1 1  -13   12   63 o  120.955   10.923   45.712   6.9834   39.789   10.450   50.492   9.3871  111.887   17.285  130.024   13.360 -18.13720 21.84627 
1 1 1  -13   12   64 o  160.851   12.330   82.446   10.594   69.730   14.905   95.428   15.060  146.212   18.865  175.490   15.881 -29.27859 24.65990 
1 1 1  -13   12   65 o  145.062   13.641   71.229   10.620   78.536   16.199   65.721   14.065  150.515   19.917  139.608   18.644 10.90735 27.28141 
1 1 1  -13   13    1 o  661.015   10.373  1200.86   35.521  1117.12   58.211  1250.54   44.837  642.172   16.775  679.859   12.205 -37.68671 20.74506 
1 1 1  -13   13    2 o  176.142   9.2426   83.006   8.7466   94.032   13.236   74.459   11.654  186.405   13.140  165.878   13.001 20.52730 18.48517 
1 1 1  -13   13    3 o  892.455   15.604  2161.55   75.250  2144.37  105.937  2179.05  106.908  888.877   22.056  896.032   22.080 -7.155457 31.20850 
1 1 1  -13   13    4 o  739.982   13.225  1483.59   52.869  1456.53   73.774  1512.16   75.802  733.058   18.624  746.906   18.781 -13.84784 26.44998 
1 1 1  -13   13    5 o  392.877   11.879  417.568   25.219   0.0000   0.0000  417.568   25.219  ?   ?   392.877   11.879      ?      ? 
1 1 1  -13   13    6 o  592.633   7.7061  949.888   24.677  942.104   34.780  957.780   35.019  590.188   10.906  595.079   10.890 -4.890930 15.41210 
1 1 1  -13   13    7 o  593.618   7.7328  953.086   24.804  947.746   35.100  958.412   35.057  591.955   10.973  595.281   10.899 -3.325684 15.46565 
1 1 1  -13   13    8 o  1044.96   12.681  2958.33   71.605  2955.92  101.279  2960.75  101.251  1044.53   17.944  1045.39   17.924 -0.8568115 25.36218 
1 1 1  -13   13    9 o  588.569   7.6839  936.823   24.435  939.711   34.835  934.026   34.286  589.458   10.936  587.680   10.797 1.778320 15.36770 
1 1 1  -13   13   10 o  1169.98   14.151  3710.32   89.465  3709.95  126.731  3710.70  126.315  1169.91   20.047  1170.05   19.979 -0.1313477 28.30207 
1 1 1  -13   13   11 o  661.729   11.895  1184.40   42.534   0.0000   0.0000  1184.40   42.534  ?   ?   661.729   11.895      ?      ? 
1 1 1  -13   13   12 o  530.111   7.0966  759.749   20.327  748.582   28.560  771.213   28.938  526.164   10.045  534.059   10.027 -7.894958 14.19324 
1 1 1  -13   13   13 o  823.216   14.405  1833.96   64.079   0.0000   0.0000  1833.96   64.079  ?   ?   823.216   14.405      ?      ? 
1 1 1  -13   13   14 f  754.428   9.4257  1539.97   38.424  1542.49   54.611  1537.50   54.072  755.034   13.385  753.821   13.274 1.212891 18.85136 
1 1 1  -13   13   15 o  815.579   10.102  1800.25   44.519  1802.19   63.206  1798.34   62.715  816.010   14.334  815.147   14.238 0.8636475 20.20369 
1 1 1  -13   13   16 o  1006.43   12.247  2743.70   66.599  2753.75   94.722  2733.88   93.657  1008.24   17.386  1004.62   17.252 3.625061 24.49324 
1 1 1  -13   13   17 o  676.319   8.6039  1237.44   31.443  1230.41   44.455  1244.48   44.480  674.393   12.199  678.244   12.136 -3.850647 17.20774 
1 1 1  -13   13   18 f  542.537   10.148  795.995   29.750   0.0000   0.0000  795.995   29.750  ?   ?   542.537   10.148      ?      ? 
1 1 1  -13   13   19 o  845.206   10.452  1933.61   47.728  1947.45   68.191  1920.31   66.825  848.160   14.879  842.252   14.683 5.908508 20.90343 
1 1 1  -13   13   20 o  1190.01   14.376  3840.26   92.437  3814.65  130.033  3866.43  131.431  1186.01   20.290  1194.02   20.370 -8.005981 28.75114 
1 1 1  -13   13   21 o  1095.30   13.276  3249.79   78.527  3182.18  108.839  3323.20  113.411  1083.46   18.590  1107.13   18.957 -23.67310 26.55104 
1 1 1  -13   13   22 o  273.687   5.8072  202.630   8.5773  200.216   12.408  204.840   11.870  272.119   8.4383  275.254   7.9806 -3.135162 11.61443 
1 1 1  -13   13   23 o  1209.26   14.608  3964.44   95.347  3856.65  131.106  4085.46  138.915  1191.92   20.356  1226.60   20.958 -34.67493 29.21660 
1 1 1  -13   13   24 o  479.212   6.7619  620.515   17.501  599.879   24.291  642.788   25.236  470.936   9.5453  487.487   9.5802 -16.55035 13.52374 
1 1 1  -13   13   25 o  744.512   9.4138  1500.38   37.867  1477.36   52.987  1524.40   54.135  738.683   13.275  750.341   13.351 -11.65814 18.82763 
1 1 1  -13   13   26 o  525.232   7.2790  746.085   20.656  730.323   28.942  762.450   29.490  519.578   10.308  530.885   10.280 -11.30719 14.55806 
1 1 1  -13   13   27 o  470.192   6.8733  597.044   17.448  571.886   24.084  624.835   25.313  459.787   9.6937  480.598   9.7469 -20.81073 13.74666 
1 1 1  -13   13   28 o  1096.18   13.351  3256.85   78.983  3157.09  108.438  3369.59  115.272  1078.40   18.609  1113.95   19.150 -35.54590 26.70214 
1 1 1  -13   13   29 o  581.237   7.8202  913.521   24.551  885.020   34.120  944.119   35.353  571.847   11.042  590.628   11.077 -18.78149 15.64042 
1 1 1  -13   13   30 o  316.391   6.1705  271.049   10.533  265.653   15.238  275.986   14.576  313.361   8.9992  319.421   8.4448 -6.060760 12.34099 
1 1 1  -13   13   31 o  295.313   6.3058  236.260   10.048  222.388   14.258  249.944   14.161  286.677   9.2040  303.948   8.6221 -17.27106 12.61168 
1 1 1  -13   13   32 o  529.953   7.3430  759.937   21.023  739.876   29.360  781.043   30.115  522.779   10.393  537.128   10.376 -14.34882 14.68592 
1 1 1  -13   13   33 o  408.102   6.4584  449.565   14.222  422.156   19.544  480.414   20.735  394.916   9.1586  421.289   9.1083 -26.37317 12.91671 
1 1 1  -13   13   34 o  231.119   6.6556  145.772   8.2416  133.422   12.139  156.334   11.226  221.926   10.122  240.313   8.6446 -18.38675 13.31111 
1 1 1  -13   13   35 o  444.900   8.2442  540.125   18.600  527.027   32.294  546.627   22.753  440.546   13.566  449.254   9.3725 -8.708557 16.48849 
1 1 1  -13   13   36 o  291.933   8.5035  228.884   13.313  250.225   20.404  213.063   17.567  303.616   12.436  280.249   11.600 23.36676 17.00693 
1 1 1  -13   13   37 o  444.381   9.3530  537.149   22.447  524.099   32.010  549.775   31.486  439.012   13.493  449.750   12.956 -10.73798 18.70606 
1 1 1  -13   13   38 o  420.085   8.1102  483.976   17.619  495.933   22.089  463.063   29.213  427.631   9.5590  412.539   13.104 15.09201 16.22035 
1 1 1  -13   13   39 o  579.013   11.159  915.735   34.892  925.225   50.374  906.982   48.377  581.795   16.023  576.230   15.537 5.565125 22.31876 
1 1 1  -13   13   40 o  234.219   9.2649  148.924   11.696  158.040   17.320  141.284   15.857  240.747   13.314  227.692   12.888 13.05495 18.52988 
1 1 1  -13   13   41 o  375.495   7.7560  377.108   14.412  400.450   26.707  367.518   17.118  383.017   12.904  367.973   8.6090 15.04422 15.51199 
1 1 1  -13   13   42 o  428.358   6.5575  498.796   15.169  485.944   21.640  511.211   21.270  422.880   9.4702  433.837   9.0729 -10.95660 13.11497 
1 1 1  -13   13   43 o  241.145   6.2488  157.685   8.0579  160.120   12.358  155.884   10.628  242.669   9.4246  239.620   8.2078 3.048233 12.49762 
1 1 1  -13   13   44 o  593.140   7.9572  960.833   25.499  957.015   36.361  964.528   35.770  591.916   11.368  594.365   11.137 -2.448608 15.91446 
1 1 1  -13   13   45 f  181.098   6.9863   90.124   6.7334   85.024   10.294   93.937   8.9018  176.424   10.798  185.771   8.8677 -9.346741 13.97261 
1 1 1  -13   13   46 o  131.645   8.5429   47.186   6.0141   49.786   9.2926   45.312   7.8890  134.630   12.773  128.660   11.347 5.969223 17.08571 
1 1 1  -13   13   47 o  258.839   6.1109  183.258   8.4683  177.290   12.758  187.958   11.322  254.892   9.2625  262.785   7.9736 -7.892685 12.22174 
1 1 1  -13   13   48 o   85.370   12.791   21.572   5.6704   18.186   9.1154   23.709   7.2422   78.362   21.070   92.377   14.508 -14.01559 25.58222 
1 1 1  -13   13   49 o  284.237   5.9678  221.184   9.1262  212.337   13.383  228.874   12.477  278.751   8.8849  289.722   7.9698 -10.97137 11.93564 
1 1 1  -13   13   50 o  178.519   6.9861   87.124   6.6757   90.001   10.232   84.991   8.8086  180.904   10.467  176.135   9.2549 4.768829 13.97211 
1 1 1  -13   13   51 o  136.073   8.4610   51.745   6.0969   49.186   9.4812   53.549   7.9613  132.798   13.212  139.348   10.573 -6.550125 16.92204 
1 1 1  -13   13   52 o  224.210   6.2655  137.910   7.5397  138.486   11.348  137.454   10.089  224.428   9.3570  223.991   8.3351 0.4368744 12.53102 
1 1 1  -13   13   53 o  144.550   8.2419   58.119   6.3208   58.383   9.9253   57.939   8.1982  144.421   12.718  144.679   10.486 -0.2572174 16.48374 
1 1 1  -13   13   54 o  171.932   7.2507   81.386   6.6841   85.701   10.205   78.144   8.8457  175.691   10.749  168.173   9.7340 7.517990 14.50139 
1 1 1  -13   13   55 f  109.191   10.683   34.368   6.2045   32.829   9.5069   35.511   8.1888  106.433   16.530  111.950   13.536 -5.517700 21.36543 
1 1 1  -13   13   56 o   89.356   16.062   24.879   7.6088   21.833   9.6485   29.887   12.374   82.982   21.384   95.731   23.973 -12.74889 32.12424 
1 1 1  -13   13   57 o  109.919   13.728   34.372   7.3260   43.176   13.755   30.886   8.6558  116.549   22.657  103.288   15.508 13.26102 27.45656 
1 1 1  -13   13   58 o   88.560   16.057   23.724   7.2515   32.365   13.257   20.034   8.6623   97.776   24.996   79.344   20.162 18.43200 32.11370 
1 1 1  -13   13   59 o   95.890   13.134   29.104   6.5185   23.720   9.9433   33.161   8.6321   85.254   21.568  106.526   14.996 -21.27206 26.26865 
1 1 1  -13   13   60 o   92.727   13.131   26.064   6.4483   40.640   10.107   16.057   8.3741  116.053   16.117   69.401   20.736 46.65291 26.26292 
1 1 1  -13   13   61 o   34.756   11.811 -11.3394   6.5842 -16.9908   9.7580  -6.6160   8.9210   32.391   15.931   37.121   17.441 -4.730442 23.62222 
1 1 1  -13   13   62 f  149.784   9.1989   65.381   7.4218   72.895   10.808   58.677   10.210  158.217   12.642  141.351   13.367 16.86649 18.39784 
1 1 1  -13   13   63 o  138.452   14.517   64.479   10.394   82.748   15.735   50.338   13.844  158.743   18.344  118.161   22.504 40.58245 29.03349 
1 1 1  -13   13   64 o   92.194   17.172   35.410   9.7948   18.633   14.673   48.896   13.155   66.891   26.771  117.497   21.512 -50.60646 34.34318 
1 1 1  -13   14    1 o  303.967   8.4866  250.632   13.881  240.991   20.357  259.009   18.976  298.471   12.622  309.464   11.348 -10.99350 16.97312 
1 1 1  -13   14    2 o  303.901   11.205  249.775   18.400   0.0000   0.0000  249.775   18.400  ?   ?   303.901   11.205      ?      ? 
1 1 1  -13   14    3 o  331.385   5.6111  296.885   10.046  290.860   14.214  302.900   14.201  328.023   8.0190  334.746   7.8508 -6.723541 11.22229 
1 1 1  -13   14    4 o   85.285   10.449   20.059   4.6984   18.632   6.7147   21.427   6.5766   81.582   15.802   88.989   13.676 -7.407471 20.89878 
1 1 1  -13   14    5 o  465.627   6.5470  585.401   16.456  602.323   23.936  570.233   22.661  471.995   9.3849  459.258   9.1312 12.73697 13.09406 
1 1 1  -13   14    6 o  656.203   8.4195  1163.81   29.834  1186.78   43.166  1142.82   41.280  662.385   12.060  650.020   11.752 12.36499 16.83909 
1 1 1  -13   14    7 o  491.540   6.7992  653.146   18.055  658.251   25.866  648.296   25.214  493.410   9.7012  489.671   9.5290 3.739227 13.59840 
1 1 1  -13   14    8 o  752.032   9.4303  1530.11   38.321  1520.53   54.022  1539.83   54.369  749.661   13.336  754.403   13.337 -4.742371 18.86057 
1 1 1  -13   14    9 o  497.701   9.5723  669.753   25.744   0.0000   0.0000  669.753   25.744  ?   ?   497.701   9.5723      ?      ? 
1 1 1  -13   14   10 o  482.051   6.6834  628.172   17.407  617.073   24.431  639.618   24.809  477.726   9.4638  486.376   9.4396 -8.649445 13.36673 
1 1 1  -13   14   11 o  168.193   8.5780   76.479   7.7962   0.0000   0.0000   76.479   7.7962  ?   ?   168.193   8.5780      ?      ? 
1 1 1  -13   14   13 o  171.006   6.1933   79.226   5.7019   76.958   8.3626   81.196   7.7948  168.709   9.1731  173.304   8.3235 -4.594986 12.38653 
1 1 1  -13   14   14 o  780.639   9.7436  1648.31   41.087  1615.98   57.178  1682.82   59.079  772.739   13.693  788.540   13.865 -15.80145 19.48715 
1 1 1  -13   14   15 o  333.282   5.6710  300.429   10.202  296.929   14.734  303.651   14.138  331.412   8.2276  335.152   7.8067 -3.740417 11.34190 
1 1 1  -13   14   16 o  518.099   7.0488  725.932   19.732  720.699   28.018  731.082   27.795  516.242   10.044  519.955   9.8926 -3.712402 14.09756 
1 1 1  -13   14   17 o  360.334   5.8657  351.127   11.407  348.923   16.522  353.134   15.769  359.248   8.5109  361.421   8.0742 -2.173004 11.73147 
1 1 1  -13   14   18 o  334.795   5.7709  303.268   10.429  297.231   15.019  308.889   14.492  331.569   8.3824  338.021   7.9341 -6.451569 11.54188 
1 1 1  -13   14   19 o  483.470   6.8414  631.746   17.868  614.447   24.919  650.052   25.634  476.662   9.6745  490.278   9.6758 -13.61600 13.68273 
1 1 1  -13   14   20 o  1306.87   15.751  4638.52  111.222  4594.32  155.889  4684.34  158.733  1300.56   22.182  1313.18   22.369 -12.61987 31.50271 
1 1 1  -13   14   21 o  594.851   7.8824  956.511   25.324  928.670   35.131  986.623   36.536  585.853   11.097  603.849   11.197 -17.99536 15.76479 
1 1 1  -13   14   23 o  325.870   5.9969  287.257   10.556  278.769   14.962  295.669   14.894  321.071   8.6237  330.670   8.3356 -9.598663 11.99372 
1 1 1  -13   14   24 o  468.446   9.5682  593.548   24.220   0.0000   0.0000  593.548   24.220  ?   ?   468.446   9.5682      ?      ? 
1 1 1  -13   14   25 o  508.692   7.1751  698.491   19.699  667.043   27.063  733.931   28.729  496.546   10.086  520.838   10.208 -24.29276 14.35017 
1 1 1  -13   14   26 o  474.621   6.9557  608.862   17.830  585.249   24.803  634.117   25.651  465.104   9.8687  484.137   9.8048 -19.03305 13.91137 
1 1 1  -13   14   27 o  473.423   9.7095  606.345   24.839   0.0000   0.0000  606.345   24.839  ?   ?   473.423   9.7095      ?      ? 
1 1 1  -13   14   28 o  396.597   6.5240  425.646   13.976  412.420   19.783  438.822   19.747  390.437   9.3769  402.757   9.0732 -12.32077 13.04800 
1 1 1  -13   14   29 o  283.803   6.2689  218.289   9.5944  210.718   13.866  225.242   13.289  279.059   9.1956  288.546   8.5229 -9.487457 12.53790 
1 1 1  -13   14   30 o   86.188   14.355   21.328   6.8696   13.222   10.264   27.907   9.2459   71.006   23.225  101.371   16.879 -30.36478 28.71036 
1 1 1  -13   14   31 o  286.504   6.2965  221.880   9.7361  226.899   14.185  217.410   13.388  289.555   9.0657  283.452   8.7405 6.103180 12.59299 
1 1 1  -13   14   32 o  282.159   6.2664  215.034   9.5313  222.111   14.062  209.020   12.963  286.430   9.0855  277.888   8.6328 8.541992 12.53286 
1 1 1  -13   14   33 o  500.767   7.1288  679.310   19.289  666.438   27.160  692.409   27.398  495.974   10.134  505.560   10.029 -9.586029 14.25766 
1 1 1  -13   14   34 o   51.468   16.131  -5.0789   8.6136   0.3164   14.274  -8.1689   10.802   59.537   25.333   43.399   19.977 16.13754 32.26197 
1 1 1  -13   14   35 o  350.395   8.7214  334.451   16.452  315.766   23.874  351.351   22.705  340.956   12.958  359.835   11.677 -18.87888 17.44288 
1 1 1  -13   14   36 o  236.612   8.0973  147.523   9.8961  137.688   12.135  167.049   17.099  225.327   9.9665  247.898   12.765 -22.57108 16.19457 
1 1 1  -13   14   37 o  281.731   8.8784  215.480   13.491  222.049   19.809  209.797   18.423  285.687   12.832  277.775   12.274 7.912018 17.75677 
1 1 1  -13   14   38 o  490.837   10.112  653.371   26.731  611.487   36.053  704.505   39.835  473.537   14.090  508.138   14.508 -34.60120 20.22363 
1 1 1  -13   14   39 o  134.043   12.760   49.467   9.2049   55.068   13.116   44.032   12.922  141.644   17.136  126.442   18.912 15.20142 25.52081 
1 1 1  -13   14   40 o  208.648   6.8113  116.041   7.5887  133.291   11.903  104.229   9.8501  221.420   9.9484  195.876   9.3062 25.54446 13.62262 
1 1 1  -13   14   41 o  199.926   7.0059  109.142   7.5218  103.823   11.111  113.641   10.219  195.329   10.527  204.522   9.2470 -9.192795 14.01173 
1 1 1  -13   14   42 o  313.455   6.0795  267.466   10.266  258.546   14.964  275.398   14.111  308.431   8.9784  318.480   8.1995 -10.04880 12.15905 
1 1 1  -13   14   43 o  168.206   7.4239   76.547   6.6631   81.003   10.391   73.436   8.6832  172.226   11.166  164.186   9.7871 8.039536 14.84787 
1 1 1  -13   14   44 o  349.987   6.1430  333.613   11.596  328.256   16.849  338.433   15.983  347.230   8.9796  352.743   8.3852 -5.513214 12.28592 
1 1 1  -13   14   45 o   65.989   11.867   11.190   5.7048  -5.0467   8.7088   23.394   7.5503   40.008   18.235   91.971   15.192 -51.96267 23.73477 
1 1 1  -13   14   46 o  355.385   6.0802  344.448   11.649  340.211   17.007  348.193   15.988  353.212   8.9107  357.558   8.2749 -4.345947 12.16041 
1 1 1  -13   14   47 o  380.580   6.2495  395.410   12.820  396.039   18.812  394.864   17.518  380.723   9.1439  380.437   8.5215 0.2864990 12.49905 
1 1 1  -13   14   48 o  238.612   6.1949  154.769   7.9128  161.025   12.145  150.153   10.431  242.627   9.2631  234.597   8.2283 8.030426 12.38986 
1 1 1  -13   14   49 o  150.211   7.9369   61.386   6.3931   69.058   9.8099   55.723   8.4288  158.192   11.476  142.230   10.967 15.96231 15.87374 
1 1 1  -13   14   50 f  116.885   9.9542   38.297   6.1834   38.051   9.6267   38.470   8.0677  116.180   15.334  117.590   12.697 -1.409897 19.90837 
1 1 1  -13   14   51 o  153.961   7.8278   66.888   6.3709   57.082   9.5770   74.673   8.5327  143.179   12.378  164.743   9.5850 -21.56404 15.65550 
1 1 1  -13   14   52 o  268.094   6.1670  195.930   8.8345  207.571   13.703  187.649   11.557  274.585   9.2351  261.603   8.1756 12.98199 12.33405 
1 1 1  -13   14   53 o   87.164   13.573   22.447   6.1147   26.267   9.7999   20.012   7.8247   92.793   20.124   81.534   18.219 11.25907 27.14552 
1 1 1  -13   14   54 o   60.793   13.745   8.4383   5.8897   19.777   8.8986  -0.4012   7.8569   79.779   20.524   41.807   18.290 37.97198 27.49060 
1 1 1  -13   14   55 o  164.539   9.6680   76.571   8.4289   74.424   10.847   79.842   13.392  162.420   12.359  166.657   14.871 -4.236465 19.33606 
1 1 1  -13   14   56 o   67.646   15.080   12.868   6.2117   20.810   10.103   8.0401   7.8765   80.490   22.404   54.802   20.191 25.68734 30.16019 
1 1 1  -13   14   57 o   56.148   14.835   8.0713   6.8657  -8.5338   13.597   13.754   7.9543   46.142   21.633   66.154   20.306 -20.01185 29.66975 
1 1 1  -13   14   58 o  111.205   11.199   36.066   6.6056   38.098   10.479   34.727   8.5089  112.988   17.164  109.422   14.391 3.565887 22.39834 
1 1 1  -13   14   59 o   58.853   13.233   8.1754   6.4296  -9.1759   9.8102   21.241   8.5130   37.063   17.670   80.643   19.703 -43.58022 26.46583 
1 1 1  -13   14   60 o  139.956   9.8406   57.234   7.4357   55.956   10.648   58.450   10.388  138.167   14.262  141.745   13.563 -3.577637 19.68113 
1 1 1  -13   14   61 o   59.614   15.594   10.861   6.8547   6.7833   10.159   14.270   9.2878   53.742   21.994   65.485   22.112 -11.74287 31.18743 
1 1 1  -13   14   62 o   49.427   15.953   2.1162   9.3932   3.7320   14.170   0.8495   12.546   51.433   23.372   47.422   21.718 4.011208 31.90502 
1 1 1  -13   14   63 o  147.563   13.136   71.263   10.360   63.221   14.962   78.671   14.359  137.266   20.171  157.861   16.833 -20.59534 26.27203 
1 1 1  -13   15    1 o  910.656   11.213  2245.44   55.178  2241.77   78.038  2249.11   78.031  909.910   15.871  911.402   15.844 -1.492126 22.42629 
1 1 1  -13   15    3 o  351.377   5.8444  333.565   11.092  320.248   15.487  347.591   15.894  344.180   8.3270  358.575   8.2030 -14.39545 11.68884 
1 1 1  -13   15    5 o  814.479   10.182  1795.55   44.811  1788.86   63.375  1802.24   63.370  812.959   14.427  815.999   14.372 -3.039917 20.36344 
1 1 1  -13   15    6 o  1140.89   19.556  3528.48  120.565   0.0000   0.0000  3528.48  120.565  ?   ?   1140.89   19.556      ?      ? 
1 1 1  -13   15    7 o  628.739   8.1725  1069.32   27.766  1066.74   39.317  1071.89   39.216  627.980   11.586  629.498   11.529 -1.517639 16.34492 
1 1 1  -13   15    8 o   93.928   10.005   23.911   5.0708   22.751   7.2330   25.032   7.1108   91.679   14.600   96.176   13.683 -4.497086 20.00948 
1 1 1  -13   15   10 o  475.046   6.7573  609.820   17.339  597.197   24.102  623.359   24.962  469.957   9.4909  480.135   9.6211 -10.17856 13.51454 
1 1 1  -13   15   11 o  763.733   9.6098  1578.52   39.659  1572.25   56.099  1584.79   56.074  762.213   13.620  765.253   13.560 -3.040588 19.21967 
1 1 1  -13   15   12 o  387.743   6.0969  404.821   12.748  379.322   17.373  434.563   18.763  374.570   8.5834  400.916   8.6609 -26.34540 12.19373 
1 1 1  -13   15   13 o  332.670   8.0787  299.185   14.523   0.0000   0.0000  299.185   14.523  ?   ?   332.670   8.0787      ?      ? 
1 1 1  -13   15   14 o  758.201   9.5503  1555.66   39.127  1540.24   55.038  1571.42   55.634  754.403   13.501  761.998   13.511 -7.595581 19.10064 
1 1 1  -13   15   16 o  332.159   5.9001  297.793   10.568  305.778   15.535  290.916   14.418  336.290   8.5490  328.027   8.1339 8.262787 11.80024 
1 1 1  -13   15   17 o  610.434   8.0284  1006.55   26.457  971.275   36.463  1045.77   38.449  599.164   11.262  621.703   11.445 -22.53864 16.05678 
1 1 1  -13   15   18 o   99.381   11.259   27.308   5.8580   25.818   8.7185   28.535   7.9094   96.113   17.429  102.648   14.260 -6.534607 22.51876 
1 1 1  -13   15   19 o  342.799   8.4817  317.773   15.711   0.0000   0.0000  317.773   15.711  ?   ?   342.799   8.4817      ?      ? 
1 1 1  -13   15   20 o  158.047   8.0475   68.468   6.7767   60.777   10.097   74.772   9.1415  149.842   12.470  166.252   10.176 -16.41016 16.09494 
1 1 1  -13   15   21 o  492.901   9.9895  657.190   26.607   0.0000   0.0000  657.190   26.607  ?   ?   492.901   9.9895      ?      ? 
1 1 1  -13   15   22 o  312.321   8.6436  263.789   14.588   0.0000   0.0000  263.789   14.588  ?   ?   312.321   8.6436      ?      ? 
1 1 1  -13   15   23 o  380.826   6.5371  392.256   13.441  370.974   18.866  414.195   19.155  370.327   9.4276  391.324   9.0584 -20.99631 13.07418 
1 1 1  -13   15   24 o  238.951   6.9571  154.102   8.9685  160.826   13.148  148.250   12.265  243.810   9.9794  234.092   9.6962 9.717575 13.91418 
1 1 1  -13   15   25 o  240.909   6.8960  156.633   8.9577  162.489   13.196  151.628   12.199  245.068   9.9644  236.750   9.5357 8.317764 13.79201 
1 1 1  -13   15   26 o  145.281   9.5298   56.674   7.4466   62.874   11.201   51.762   9.9689  152.335   13.607  138.227   13.346 14.10808 19.05965 
1 1 1  -13   15   27 o  202.959   7.3719  111.700   8.0709  106.071   11.546  117.080   11.287  197.936   10.795  207.982   10.043 -10.04703 14.74390 
1 1 1  -13   15   28 o  304.697   6.4249  251.214   10.564  251.209   15.346  251.218   14.564  304.683   9.3209  304.712   8.8454 -0.2893066E-01 12.84988 
1 1 1  -13   15   29 o  312.624   6.3375  264.720   10.695  253.095   15.210  276.089   15.042  305.816   9.2042  319.433   8.7143 -13.61697 12.67506 
1 1 1  -13   15   30 o  326.526   6.2879  288.869   11.083  280.328   15.880  296.980   15.476  321.799   9.1324  331.252   8.6458 -9.452972 12.57579 
1 1 1  -13   15   31 o  314.712   6.3533  268.195   10.802  266.557   15.419  269.774   15.137  313.760   9.0942  315.664   8.8743 -1.903839 12.70655 
1 1 1  -13   15   32 o  230.827   8.7212  143.516   9.9456  147.140   18.337  142.005   11.838  232.684   14.584  228.969   9.5679 3.715378 17.44249 
1 1 1  -13   15   33 o  338.086   8.7683  310.234   15.902  310.360   23.978  310.135   21.247  338.054   13.126  338.118   11.629 -0.6411743E-01 17.53667 
1 1 1  -13   15   34 o  365.149   8.8667  361.050   17.382  372.072   26.279  352.477   23.177  369.990   13.144  360.308   11.904 9.681610 17.73342 
1 1 1  -13   15   35 o  215.447   9.2510  127.602   10.095  130.223   12.367  122.365   17.479  219.064   10.447  211.831   15.270 7.233810 18.50200 
1 1 1  -13   15   36 f  254.100   9.2412  175.725   12.686  177.320   18.177  174.212   17.712  255.208   13.181  252.993   12.956 2.214020 18.48231 
1 1 1  -13   15   37 o  221.243   10.145  130.819   11.957  104.212   15.791  166.577   18.306  195.323   14.961  247.162   13.706 -51.83925 20.29055 
1 1 1  -13   15   38 o  110.927   13.295   29.923   7.3245   51.847   13.373   20.527   8.7543  137.249   18.031   84.604   19.543 52.64442 26.59033 
1 1 1  -13   15   39 o  295.184   6.2303  236.108   9.9099  242.788   14.655  230.479   13.452  298.980   9.0707  291.388   8.5434 7.591034 12.46062 
1 1 1  -13   15   40 o  257.885   6.3369  180.690   8.7880  180.111   13.074  181.167   11.869  257.440   9.3985  258.330   8.5026 -0.8901978 12.67380 
1 1 1  -13   15   41 o  142.416   8.4834   54.973   6.4315   57.845   10.104   53.016   8.3393  145.404   12.859  139.429   11.068 5.975327 16.96672 
1 1 1  -13   15   42 f  257.637   6.2452  180.020   8.6303  185.103   13.099  176.121   11.472  260.745   9.2971  254.530   8.3410 6.215546 12.49033 
1 1 1  -13   15   43 o  146.023   8.1861   57.294   6.3420   63.816   10.171   53.145   8.1122  152.572   12.337  139.474   10.764 13.09860 16.37228 
1 1 1  -13   15   44 o  147.233   8.2825   58.546   6.4938   64.331   10.262   54.682   8.3867  153.086   12.405  141.380   10.978 11.70607 16.56507 
1 1 1  -13   15   45 o  249.759   6.2354  170.146   8.3654  169.804   12.522  170.423   11.242  249.405   9.2914  250.113   8.3181 -0.7087555 12.47083 
1 1 1  -13   15   46 o  259.297   6.1471  184.279   8.5755  171.867   12.432  195.544   11.844  250.784   9.1740  267.811   8.1845 -17.02676 12.29424 
1 1 1  -13   15   47 f  112.687   11.095   38.616   6.0511   24.817   9.2308   49.013   8.0128   91.880   19.210  133.494   11.108 -41.61327 22.19065 
1 1 1  -13   15   48 o  171.446   7.5045   80.302   6.8355   84.029   10.795   77.807   8.8317  174.488   11.449  168.404   9.7052 6.084579 15.00904 
1 1 1  -13   15   49 o  247.184   6.3236  168.665   8.3666  157.557   12.465  177.771   11.287  239.438   9.6344  254.930   8.1932 -15.49243 12.64716 
1 1 1  -13   15   50 o  158.355   7.6874   68.276   6.4996   76.271   10.184   62.781   8.4424  165.887   11.361  150.824   10.359 15.06258 15.37478 
1 1 1  -13   15   51 o  255.646   6.2993  179.864   8.6394  178.195   12.983  181.191   11.574  254.304   9.4477  256.988   8.3347 -2.683395 12.59866 
1 1 1  -13   15   52 o  118.865   10.155   39.759   6.4884   42.595   9.7964   37.543   8.6602  122.443   14.806  115.287   13.901 7.155357 20.30937 
1 1 1  -13   15   53 o  138.985   8.8586   54.902   6.5434   50.558   9.9434   58.219   8.6902  133.507   13.783  144.462   11.132 -10.95517 17.71718 
1 1 1  -13   15   54 f  224.406   8.4994  142.081   9.8388  143.046   12.263  140.338   16.484  226.855   10.003  221.958   13.744 4.896591 16.99883 
1 1 1  -13   15   55 o   88.718   13.587   24.815   6.4922   16.741   9.5108   31.860   8.8840   72.610   22.190  104.825   15.684 -32.21424 27.17320 
1 1 1  -13   15   56 f  110.437   13.857   34.769   7.4396   45.113   14.014   30.710   8.7787  118.397   22.731  102.476   15.853 15.92086 27.71350 
1 1 1  -13   15   57 o  117.522   11.050   40.568   6.9677   40.135   10.436   40.916   9.3592  116.359   16.598  118.685   14.593 -2.325470 22.10080 
1 1 1  -13   15   58 o  103.385   13.454   35.348   7.0727   24.453   10.631   43.999   9.4737   84.480   22.771  122.291   14.336 -37.81139 26.90803 
1 1 1  -13   15   59 o  117.325   11.142   40.808   7.0369   44.474   10.528   37.848   9.4605  121.893   15.985  112.757   15.527 9.135551 22.28415 
1 1 1  -13   15   60 o   58.589   22.655   9.9182   10.197   9.9182   10.197   0.0000   0.0000   58.589   22.655  ?   ?       ?      ? 
1 1 1  -13   15   61 o  218.356   10.502  147.182   12.331  155.023   18.527  140.946   16.523  222.475   15.411  214.238   14.273 8.237000 21.00490 
1 1 1  -13   15   62 f   69.829   18.753   19.310   9.7294   19.468   14.724   19.187   12.963   69.686   27.146   69.973   25.879 -0.2869263 37.50546 
1 1 1  -13   15   63 o  197.736   7.8444  115.071   8.3336  117.229   12.500  113.343   11.181  198.552   11.650  196.920   10.508 1.632492 15.68887 
1 1 1  -13   16    1 o  356.351   5.9829  342.726   11.510  329.808   15.863  357.086   16.726  349.273   8.4051  363.428   8.5168 -14.15445 11.96588 
1 1 1  -13   16    2 o  208.832   6.3012  117.699   7.1040  112.731   9.7961  123.209   10.317  204.193   8.8782  213.471   8.9441 -9.277802 12.60234 
1 1 1  -13   16    3 o  963.942   16.766  2516.76   87.330   0.0000   0.0000  2516.76   87.330  ?   ?   963.942   16.766      ?      ? 
1 1 1  -13   16    4 o  763.455   9.6535  1577.06   39.816  1592.68   57.018  1562.20   55.625  767.133   13.755  759.777   13.549 7.355591 19.30697 
1 1 1  -13   16    6 o  278.133   5.9693  209.119   8.9644  209.676   12.946  208.605   12.426  278.485   8.6026  277.780   8.2781 0.7055054 11.93867 
1 1 1  -13   16    7 o  932.288   11.490  2352.95   57.867  2315.81   80.682  2392.29   83.042  924.729   16.146  939.846   16.351 -15.11786 22.97972 
1 1 1  -13   16    8 o  905.766   11.196  2221.62   54.797  2210.83   77.266  2232.53   77.726  903.555   15.825  907.977   15.842 -4.422302 22.39177 
1 1 1  -13   16    9 o  661.584   8.6104  1183.91   30.778  1166.72   43.091  1201.80   43.976  656.688   12.143  666.481   12.211 -9.793701 17.22087 
1 1 1  -13   16   10 o  738.751   9.3772  1477.01   37.432  1475.83   53.111  1478.17   52.765  738.455   13.310  739.046   13.213 -0.5917358 18.75437 
1 1 1  -13   16   11 o  472.738   9.6552  604.361   24.664   0.0000   0.0000  604.361   24.664  ?   ?   472.738   9.6552      ?      ? 
1 1 1  -13   16   12 o  651.844   8.4851  1149.51   29.885  1132.93   41.949  1166.60   42.586  647.072   11.997  656.616   12.002 -9.544067 16.97029 
1 1 1  -13   16   13 o  538.568   7.4180  783.134   21.566  752.237   29.686  817.659   31.381  527.346   10.418  549.790   10.563 -22.44458 14.83593 
1 1 1  -13   16   14 o  372.016   6.2171  374.385   12.493  365.222   17.747  383.386   17.590  367.496   8.9370  376.535   8.6451 -9.038513 12.43413 
1 1 1  -13   16   15 o  635.955   8.3343  1094.19   28.636  1074.57   40.072  1114.67   40.937  630.131   11.769  641.778   11.804 -11.64612 16.66855 
1 1 1  -13   16   16 o  350.632   6.2338  332.461   11.803  315.697   16.574  349.708   16.811  341.659   8.9774  359.605   8.6514 -17.94595 12.46757 
1 1 1  -13   16   17 o  457.730   6.8207  566.278   16.864  548.982   23.473  584.729   24.244  450.512   9.6422  464.948   9.6497 -14.43604 13.64140 
1 1 1  -13   16   19 o  454.215   6.9252  558.144   16.995  550.338   24.114  565.848   23.955  451.053   9.8937  457.376   9.6926 -6.322571 13.85033 
1 1 1  -13   16   20 o  237.529   6.7325  152.554   8.6322  153.937   12.524  151.303   11.914  238.548   9.7160  236.510   9.3223 2.038528 13.46500 
1 1 1  -13   16   21 o  376.717   6.5704  384.077   13.368  373.939   19.026  393.962   18.788  371.796   9.4700  381.638   9.1104 -9.841705 13.14079 
1 1 1  -13   16   22 o  724.227   9.3173  1420.07   36.457  1396.67   51.007  1444.51   52.128  718.132   13.144  730.321   13.209 -12.18915 18.63459 
1 1 1  -13   16   23 o  583.997   7.9815  922.816   25.183  904.106   35.251  942.320   35.990  577.953   11.287  590.040   11.288 -12.08765 15.96301 
1 1 1  -13   16   24 o  351.693   6.5019  334.753   12.352  326.026   17.534  343.350   17.403  347.133   9.3475  356.252   9.0401 -9.119080 13.00383 
1 1 1  -13   16   25 o  417.885   6.7268  472.542   15.178  473.460   21.914  471.695   21.042  418.262   9.6960  417.508   9.3266 0.7538147 13.45359 
1 1 1  -13   16   26 o  217.278   7.2627  127.558   8.4945  112.719   11.748  143.816   12.297  204.044   10.655  230.512   9.8722 -26.46744 14.52549 
1 1 1  -13   16   27 o  344.102   6.4897  320.764   12.046  314.088   17.452  326.840   16.649  340.660   9.4805  347.544   8.8650 -6.884491 12.97948 
1 1 1  -13   16   28 o   92.269   14.218   24.129   6.8855   23.379   9.9151   24.827   9.5693   90.799   20.672   93.739   19.526 -2.940010 28.43545 
1 1 1  -13   16   29 o  450.736   6.8345  550.126   16.642  532.210   23.364  568.575   23.710  443.279   9.7540  458.193   9.5761 -14.91446 13.66905 
1 1 1  -13   16   30 o  480.764   7.0607  625.741   18.335  602.104   25.577  650.729   26.298  471.424   10.040  490.105   9.9299 -18.68066 14.12134 
1 1 1  -13   16   31 o   87.348   19.293   20.935   9.8867   19.784   16.468   21.583   12.362   87.211   29.444   87.486   24.937 -0.2755966 38.58513 
1 1 1  -13   16   32 o  700.492   12.868  1339.22   48.652  1360.58   70.746  1320.05   67.015  705.640   18.554  695.344   17.836 10.29596 25.73602 
1 1 1  -13   16   33 o  200.946   11.284  109.628   12.253  109.628   12.253   0.0000   0.0000  200.946   11.284  ?   ?       ?      ? 
1 1 1  -13   16   34 o  455.340   9.7662  564.451   24.019  573.198   34.590  556.306   33.377  458.706   13.955  451.973   13.666 6.733521 19.53230 
1 1 1  -13   16   35 o  411.220   9.4293  460.698   20.951  454.730   29.630  466.667   29.630  408.534   13.422  413.906   13.248 -5.371918 18.85863 
1 1 1  -13   16   36 o  105.593   16.645   32.661   9.9285   49.820   13.852   14.534   14.238  134.503   19.059   76.683   27.294 57.81995 33.29010 
1 1 1  -13   16   37 o  247.225   6.5457  166.447   8.6870  161.967   12.955  170.107   11.710  244.113   9.8208  250.338   8.6565 -6.225220 13.09137 
1 1 1  -13   16   38 o  355.156   6.3941  342.333   12.244  346.257   17.969  338.932   16.729  356.998   9.3145  353.315   8.7624 3.683838 12.78828 
1 1 1  -13   16   39 o  229.165   6.6475  142.971   8.2033  140.065   12.045  145.485   11.204  226.925   9.8224  231.404   8.9598 -4.478378 13.29502 
1 1 1  -13   16   40 o  208.323   7.1608  118.735   8.0052  113.334   11.882  123.225   10.833  203.851   10.787  212.796   9.4207 -8.944794 14.32158 
1 1 1  -13   16   41 o  277.077   6.2506  207.709   9.2937  218.785   14.137  199.279   12.333  283.455   9.2300  270.699   8.4313 12.75647 12.50119 
1 1 1  -13   16   42 o  322.828   6.2102  284.546   10.796  270.925   15.691  296.791   14.878  315.350   9.2079  330.307   8.3354 -14.95712 12.42033 
1 1 1  -13   16   43 o  277.799   6.1809  211.682   9.2101  193.055   13.460  228.081   12.630  266.061   9.3622  289.537   8.0723 -23.47617 12.36178 
1 1 1  -13   16   44 o  163.702   7.8513   75.305   6.7512   63.827   10.333   83.854   8.9178  152.204   12.563  175.201   9.4196 -22.99683 15.70257 
1 1 1  -13   16   45 o  115.281   10.078   36.614   6.2215   39.067   9.5732   34.821   8.1859  118.438   14.958  112.124   13.511 6.313095 20.15665 
1 1 1  -13   16   46 o  239.572   6.3347  155.907   8.1181  163.801   12.519  150.180   10.664  244.605   9.4718  234.538   8.4142 10.06671 12.66944 
1 1 1  -13   16   47 f  209.107   6.8030  120.996   7.5844  112.780   11.469  127.380   10.111  202.444   10.485  215.770   8.6716 -13.32591 13.60599 
1 1 1  -13   16   48 o  148.614   8.2411   61.967   6.5205   54.891   9.7127   67.772   8.7979  140.413   12.801  156.815   10.382 -16.40201 16.48219 
1 1 1  -13   16   49 o  110.513   10.380   34.521   6.1377   33.845   9.2922   35.045   8.1748  109.201   15.747  111.826   13.528 -2.624001 20.76027 
1 1 1  -13   16   50 o  204.074   7.0371  115.029   7.6699  114.808   11.762  115.193   10.117  203.563   10.693  204.584   9.1511 -1.021347 14.07428 
1 1 1  -13   16   51 f  122.736   9.9343   43.158   6.4290   39.624   9.9919   45.655   8.3982  117.704   15.710  127.767   12.164 -10.06354 19.86859 
1 1 1  -13   16   52 o  102.642   11.927   29.820   6.3485   39.453   10.063   23.450   8.1824  117.000   15.916   88.283   17.767 28.71754 23.85373 
1 1 1  -13   16   53 o   96.556   14.572   25.302   7.9095   10.250   9.9012   51.847   13.149   60.895   22.599  132.218   18.403 -71.32289 29.14444 
1 1 1  -13   16   54 o  273.337   8.1607  204.041   11.488  191.444   14.066  229.279   19.909  262.378   9.9212  284.296   12.960 -21.91791 16.32137 
1 1 1  -13   16   55 o  122.820   13.205   45.832   7.4802   45.450   14.270   45.976   8.7836  118.547   23.107  127.092   12.790 -8.544518 26.41036 
1 1 1  -13   16   56 o  144.916   9.4175   60.694   7.2036   58.073   11.299   62.489   9.3505  141.260   14.802  148.572   11.647 -7.312790 18.83491 
1 1 1  -13   16   57 o   46.361   14.141   1.1915   6.4253   6.2450   10.062  -2.2881   8.3493   53.064   21.822   39.658   17.990 13.40583 28.28178 
1 1 1  -13   16   58 o   62.863   15.730   12.084   6.6644   16.772   10.380   8.7967   8.6925   70.198   23.375   55.527   21.054 14.67130 31.45926 
1 1 1  -13   16   59 o   48.703   15.474  -0.1149   7.8153   1.8930   14.312  -0.9680   9.3290   54.134   24.134   43.273   19.375 10.86058 30.94896 
1 1 1  -13   16   60 o  189.465   11.329  114.366   11.411   99.865   16.738  126.959   15.598  175.141   17.685  203.789   14.164 -28.64734 22.65849 
1 1 1  -13   16   61 o   56.805   17.303   8.3378   9.6106   9.0901   14.111   7.6869   13.125   57.874   24.918   55.736   24.015 2.138355 34.60683 
1 1 1  -13   16   62 o   49.517   14.731   6.1537   6.7662   10.293   9.9956   2.6524   9.1925   54.756   22.032   44.277   19.561 10.47962 29.46266 
1 1 1  -13   17    1 o  424.663   9.3057  487.681   21.354   0.0000   0.0000  487.681   21.354  ?   ?   424.663   9.3057      ?      ? 
1 1 1  -13   17    2 o  952.666   11.757  2458.11   60.508  2419.14   84.346  2499.43   86.851  944.909   16.519  960.424   16.735 -15.51526 23.51472 
1 1 1  -13   17    3 o  1022.79   12.534  2834.88   69.261  2797.97   96.861  2873.50   99.076  1016.00   17.643  1029.59   17.808 -13.59058 25.06784 
1 1 1  -13   17    4 o  669.865   8.7321  1214.08   31.605  1196.79   44.339  1231.93   45.061  665.020   12.339  674.710   12.359 -9.690125 17.46411 
1 1 1  -13   17    5 f  639.295   8.4122  1105.46   29.054  1085.25   40.579  1126.72   41.618  633.305   11.858  645.286   11.936 -11.98029 16.82446 
1 1 1  -13   17    6 o  886.216   15.598  2127.54   74.696   0.0000   0.0000  2127.54   74.696  ?   ?   886.216   15.598      ?      ? 
1 1 1  -13   17    7 o  408.743   6.5444  451.660   14.440  455.289   20.943  448.373   19.935  410.299   9.4462  407.187   9.0602 3.112061 13.08884 
1 1 1  -13   17    8 o  589.946   7.9399  941.418   25.308  925.551   35.430  957.948   36.162  584.873   11.210  595.018   11.247 -10.14526 15.87971 
1 1 1  -13   17    9 o  862.964   10.768  2015.63   50.181  1967.34   69.463  2068.33   72.572  852.187   15.084  873.741   15.371 -21.55396 21.53618 
1 1 1  -13   17   10 o  857.379   10.714  1990.29   49.615  1949.63   68.943  2033.97   71.457  848.319   15.040  866.439   15.262 -18.11969 21.42747 
1 1 1  -13   17   11 o  600.777   8.0591  975.822   26.149  949.447   36.268  1004.38   37.738  592.336   11.331  609.219   11.463 -16.88300 16.11829 
1 1 1  -13   17   12 o  499.809   7.2120  675.389   19.472  656.348   27.161  695.526   27.931  492.564   10.205  507.053   10.194 -14.48840 14.42406 
1 1 1  -13   17   14 f  931.544   11.531  2351.13   58.028  2315.35   80.979  2388.89   83.195  924.280   16.214  938.809   16.400 -14.52954 23.06139 
1 1 1  -13   17   15 o  741.889   9.5188  1489.13   38.141  1453.46   52.934  1527.64   55.006  732.668   13.370  751.110   13.552 -18.44214 19.03766 
1 1 1  -13   17   16 f  203.703   10.118  112.256   11.137   0.0000   0.0000  112.256   11.137  ?   ?   203.703   10.118      ?      ? 
1 1 1  -13   17   17 o  390.536   6.6454  412.455   14.015  392.812   19.649  432.799   19.997  381.066   9.5424  400.006   9.2512 -18.94031 13.29073 
1 1 1  -13   17   18 o  846.156   10.647  1938.54   48.652  1888.46   67.342  1993.22   70.365  834.759   14.929  857.554   15.185 -22.79510 21.29452 
1 1 1  -13   17   19 o  339.026   6.5062  311.021   11.910  307.655   17.131  314.170   16.570  337.241   9.4007  340.810   8.9972 -3.569397 13.01246 
1 1 1  -13   17   21 o  230.040   7.2695  143.511   9.0153  133.590   12.840  153.155   12.660  222.168   10.696  237.912   9.8480 -15.74438 14.53895 
1 1 1  -13   17   22 o  432.103   6.8522  504.813   15.992  489.728   22.199  521.086   23.056  425.401   9.6571  438.805   9.7236 -13.40353 13.70435 
1 1 1  -13   17   23 o  167.746   8.5328   75.896   7.7176   82.233   11.352   70.449   10.524  174.229   12.058  161.263   12.077 12.96609 17.06555 
1 1 1  -13   17   24 o  387.098   9.1992  405.480   19.242   0.0000   0.0000  405.480   19.242  ?   ?   387.098   9.1992      ?      ? 
1 1 1  -13   17   25 o  409.866   6.7045  454.546   14.843  436.615   20.797  473.160   21.190  401.623   9.5830  418.110   9.3790 -16.48642 13.40893 
1 1 1  -13   17   26 o  371.925   6.5676  374.463   13.190  375.746   19.022  373.275   18.306  372.525   9.4496  371.325   9.1235 1.200317 13.13513 
1 1 1  -13   17   27 o  157.097   9.1871   68.266   7.6469   55.802   11.199   79.152   10.466  143.321   14.461  170.873   11.335 -27.55225 18.37424 
1 1 1  -13   17   28 o  267.159   6.6487  193.498   9.5859  188.724   13.807  197.941   13.319  263.955   9.6799  270.362   9.1170 -6.407776 13.29738 
1 1 1  -13   17   29 o  474.358   8.7828  619.829   21.393  580.405   35.805  641.717   26.679  462.097   14.339  486.619   10.146 -24.52213 17.56563 
1 1 1  -13   17   30 o   79.741   19.175   13.940   9.9881   25.360   16.224   6.9707   12.675   95.226   28.956   64.257   25.143 30.96877 38.34920 
1 1 1  -13   17   32 o  337.144   9.2349  309.363   16.813  323.874   23.857  295.045   23.698  345.048   12.795  329.240   13.320 15.80817 18.46988 
1 1 1  -13   17   33 o  269.711   9.4312  198.614   13.711  210.248   19.149  186.374   19.641  277.929   12.750  261.492   13.900 16.43616 18.86233 
1 1 1  -13   17   34 o  476.210   10.034  616.354   25.752  584.009   34.913  654.955   38.140  462.640   13.965  489.780   14.411 -27.14032 20.06748 
1 1 1  -13   17   35 o  138.108   9.5633   51.255   7.0547   57.558   11.040   46.904   9.1717  145.107   14.080  131.109   12.946 13.99850 19.12662 
1 1 1  -13   17   36 o  243.057   6.8362  160.320   8.9176  162.708   13.461  158.452   11.904  244.588   10.185  241.525   9.1213 3.062164 13.67248 
1 1 1  -13   17   37 o  311.985   6.3310  264.736   10.656  248.960   15.134  280.245   15.006  302.699   9.2527  321.270   8.6437 -18.57166 12.66200 
1 1 1  -13   17   38 o  410.620   6.6298  458.912   14.698  448.100   21.072  469.154   20.510  405.840   9.6088  415.401   9.1372 -9.561859 13.25967 
1 1 1  -13   17   39 o   41.616   13.329  -5.1125   6.3649  -2.1349   9.8951  -7.2140   8.3128   46.329   20.390   36.902   17.173 9.426151 26.65805 
1 1 1  -13   17   40 o  214.784   6.8009  125.532   7.8682  128.210   11.651  123.287   10.668  216.822   9.9446  212.746   9.2798 4.075500 13.60187 
1 1 1  -13   17   41 o   79.177   14.662   17.885   6.2951   21.481   9.7934   15.353   8.2176   85.598   21.267   72.756   20.190 12.84194 29.32486 
1 1 1  -13   17   42 o  180.761   7.5027   89.995   7.1978   86.037   11.148   92.825   9.4260  177.097   11.649  184.425   9.4584 -7.327988 15.00531 
1 1 1  -13   17   43 o   83.522   13.099   21.181   5.9325   12.854   8.9878   27.610   7.8974   67.348   21.712   99.697   14.659 -32.34972 26.19728 
1 1 1  -13   17   44 o  185.639   7.2161   95.111   7.1800   88.038   10.594  101.118   9.7644  179.009   10.953  192.268   9.3983 -13.25867 14.43219 
1 1 1  -13   17   45 o  140.583   8.5087   53.475   6.3950   62.820   9.9590   46.918   8.3422  150.775   12.224  130.391   11.840 20.38416 17.01748 
1 1 1  -13   17   46 f   65.378   14.759   11.527   5.9317   17.150   9.3269   7.7073   7.6864   75.517   21.703   55.239   20.007 20.27815 29.51812 
1 1 1  -13   17   47 o  182.156   7.3579   91.257   7.1705   93.011   10.981   89.952   9.4679  183.437   11.078  180.876   9.6869 2.560776 14.71587 
1 1 1  -13   17   48 o  297.714   6.1444  243.525   9.8446  240.273   14.536  246.282   13.380  295.651   9.0987  299.776   8.2600 -4.125214 12.28880 
1 1 1  -13   17   49 o  190.478   7.2913  100.407   7.4058  100.020   11.416  100.688   9.7313  189.795   11.131  191.161   9.4207 -1.365387 14.58268 
1 1 1  -13   17   50 o   68.801   15.046   14.391   6.1367   14.649   9.2172   14.185   8.2246   69.331   21.949   68.272   20.585 1.058647 30.09142 
1 1 1  -13   17   51 o  209.419   7.0427  122.858   7.8826  107.660   11.493  136.360   10.832  196.577   10.819  222.260   9.0192 -25.68269 14.08548 
1 1 1  -13   17   52 o  189.844   9.1837   97.635   9.1055   85.630   11.262  120.293   15.472  174.430   11.949  205.258   13.950 -30.82753 18.36748 
1 1 1  -13   17   53 o   61.342   16.828   9.6282   7.8414   8.7711   10.094   10.932   12.452   58.580   22.572   64.104   24.966 -5.524963 33.65693 
1 1 1  -13   17   54 o  186.001   9.4133   99.820   8.5612   96.644   15.696  101.164   10.214  181.585   15.997  190.417   9.9270 -8.831818 18.82654 
1 1 1  -13   17   55 o   96.868   13.767   29.087   6.8029   31.013   10.992   27.892   8.6610   98.189   21.327   95.548   17.416 2.640442 27.53487 
1 1 1  -13   17   56 o  100.297   12.961   31.284   6.7596   32.350   10.560   30.543   8.7981   99.800   20.274  100.795   16.153 -0.9957047 25.92209 
1 1 1  -13   17   57 o   83.106   15.422   23.662   7.0315   20.305   11.079   25.926   9.0991   76.318   24.053   89.895   19.308 -13.57664 30.84395 
1 1 1  -13   17   58 o   90.086   17.651   28.026   8.4425   30.428   15.373   26.989   10.102   89.615   28.344   90.557   21.045 -0.9413147 35.30259 
1 1 1  -13   17   59 o   58.671   17.679   11.271   9.7202   11.869   15.502   10.883   12.478   59.762   25.923   57.581   24.044 2.181152 35.35740 
1 1 1  -13   17   60 o   81.360   15.717   24.641   8.3378   38.594   11.465   8.9775   12.147  106.307   20.703   56.412   23.653 49.89472 31.43344 
1 1 1  -13   17   61 o   59.417   15.384   13.208   6.7536   8.3133   10.383   16.797   8.8915   52.339   21.901   66.496   21.610 -14.15743 30.76763 
1 1 1  -13   18    1 o   67.586   22.400   11.777   9.5366   0.0000   0.0000   11.777   9.5366  ?   ?    67.586   22.400      ?      ? 
1 1 1  -13   18    2 o  423.058   9.5288  484.101   21.784   0.0000   0.0000  484.101   21.784  ?   ?   423.058   9.5288      ?      ? 
1 1 1  -13   18    3 o  441.580   6.8647  527.369   16.377  513.675   23.030  541.380   23.294  435.777   9.7800  447.382   9.6357 -11.60535 13.72932 
1 1 1  -13   18    4 o  468.938   9.9813  594.853   25.293   0.0000   0.0000  594.853   25.293  ?   ?   468.938   9.9813      ?      ? 
1 1 1  -13   18    5 o   90.347   13.849   22.900   6.9144   11.266   9.6486   35.183   9.9137   66.758   22.537  113.937   16.102 -47.17889 27.69870 
1 1 1  -13   18    6 o  486.978   7.2684  641.464   19.125  630.404   26.899  652.770   27.197  482.732   10.312  491.224   10.246 -8.492706 14.53675 
1 1 1  -13   18    8 o  270.008   6.5941  197.455   9.6048  191.266   13.855  203.182   13.327  265.919   9.6423  274.097   8.9976 -8.177948 13.18828 
1 1 1  -13   18    9 o  505.415   7.3494  690.510   20.064  668.000   27.931  714.509   28.840  496.911   10.402  513.919   10.385 -17.00873 14.69883 
1 1 1  -13   18   10 o  421.562   6.8404  480.804   15.577  476.387   22.268  485.036   21.798  419.659   9.8195  423.466   9.5259 -3.807068 13.68083 
1 1 1  -13   18   13 o  737.971   9.5051  1473.85   37.886  1438.33   52.592  1512.17   54.623  728.747   13.355  747.195   13.529 -18.44873 19.01020 
1 1 1  -13   18   14 o  504.467   7.3844  688.632   20.127  675.805   28.420  701.539   28.509  499.748   10.524  509.186   10.361 -9.437805 14.76877 
1 1 1  -13   18   15 o  332.498   9.4067  299.063   16.901   0.0000   0.0000  299.063   16.901  ?   ?   332.498   9.4067      ?      ? 
1 1 1  -13   18   16 o  742.146   9.5652  1491.55   38.355  1471.46   53.738  1512.41   54.760  737.058   13.493  747.233   13.562 -10.17542 19.13047 
1 1 1  -13   18   17 o  377.092   6.7720  378.554   13.688  329.149   18.098  444.586   20.923  348.802   9.6022  405.381   9.5517 -56.57941 13.54394 
1 1 1  -13   18   18 o  346.484   9.3297  324.809   17.468   0.0000   0.0000  324.809   17.468  ?   ?   346.484   9.3297      ?      ? 
1 1 1  -13   18   19 o  567.141   7.8651  870.491   24.098  848.481   33.648  893.667   34.527  559.784   11.124  574.497   11.122 -14.71252 15.73016 
1 1 1  -13   18   20 o  515.060   7.4645  718.113   20.770  722.312   29.759  714.126   29.001  516.517   10.662  513.603   10.449 2.914246 14.92895 
1 1 1  -13   18   21 o  165.387   8.9956   73.362   7.9513   90.412   11.860   59.441   10.716  182.690   12.014  148.084   13.392 34.60570 17.99122 
1 1 1  -13   18   22 o  511.317   10.410  707.874   28.762   0.0000   0.0000  707.874   28.762  ?   ?   511.317   10.410      ?      ? 
1 1 1  -13   18   23 o  464.456   7.0537  583.255   17.689  554.212   24.502  614.867   25.563  452.394   10.023  476.517   9.9276 -24.12320 14.10744 
1 1 1  -13   18   24 o  238.167   7.0407  153.872   9.0477  146.810   12.938  160.631   12.657  232.791   10.285  243.543   9.6180 -10.75267 14.08147 
1 1 1  -13   18   25 o  193.458   8.0648  101.992   8.3760   89.299   11.911  114.411   11.781  181.444   12.148  205.473   10.611 -24.02872 16.12964 
1 1 1  -13   18   26 o  397.026   6.7531  427.354   14.475  410.659   20.611  443.603   20.333  389.341   9.7966  404.710   9.2977 -15.36926 13.50627 
1 1 1  -13   18   27 o  268.733   8.8107  204.015   11.600  176.419   20.714  216.622   14.001  254.668   15.052  282.798   9.1620 -28.13043 17.62141 
1 1 1  -13   18   28 o  193.678   19.455  102.635   20.361  102.635   20.361   0.0000   0.0000  193.678   19.455  ?   ?       ?      ? 
1 1 1  -13   18   30 o  554.175   11.051  835.216   32.979  803.829   44.509  873.423   49.108  542.833   15.174  565.516   16.070 -22.68262 22.10187 
1 1 1  -13   18   31 f  368.901   9.1225  370.423   18.184  376.351   25.877  364.640   25.557  371.821   12.879  365.981   12.923 5.840515 18.24505 
1 1 1  -13   18   32 o  238.371   7.9478  155.044   9.7760  152.613   16.410  156.382   12.171  236.689   12.831  240.053   9.3831 -3.363907 15.89569 
1 1 1  -13   18   33 o  230.812   7.0684  145.288   8.7837  134.179   12.611  155.756   12.242  222.143   10.505  239.482   9.4597 -17.33882 14.13684 
1 1 1  -13   18   34 o  238.069   6.8957  154.136   8.8475  153.023   12.967  155.105   12.102  237.210   10.116  238.928   9.3737 -1.717987 13.79145 
1 1 1  -13   18   35 o  355.755   6.4885  343.730   12.460  322.282   17.449  366.041   17.797  344.392   9.3765  367.117   8.9712 -22.72461 12.97696 
1 1 1  -13   18   36 o  289.450   6.4435  228.177   10.050  220.421   14.614  235.137   13.844  284.699   9.4994  294.201   8.7084 -9.501831 12.88699 
1 1 1  -13   18   37 o  204.795   9.8656  114.236   10.918   0.0000   0.0000  114.236   10.918  ?   ?   204.795   9.8656      ?      ? 
1 1 1  -13   18   38 o  285.765   6.5106  223.037   10.015  201.730   14.221  243.997   14.105  272.069   9.6733  299.460   8.7166 -27.39029 13.02118 
1 1 1  -13   18   39 o  101.142   12.823   28.943   6.6865   31.962   10.355   26.784   8.7571  105.499   18.856   96.786   17.383 8.713051 25.64574 
1 1 1  -13   18   40 o  164.023   8.2449   73.876   7.2136   72.856   11.082   74.625   9.5026  162.844   12.594  165.201   10.645 -2.357330 16.48974 
1 1 1  -13   18   41 o  116.285   10.409   37.088   6.4917   40.908   9.9500   34.257   8.5661  121.346   15.174  111.224   14.253 10.12233 20.81811 
1 1 1  -13   18   42 o  321.615   6.2993  283.018   10.922  272.715   15.814  292.413   15.101  315.868   9.2652  327.362   8.5369 -11.49393 12.59855 
1 1 1  -13   18   43 o  197.948   7.1985  108.395   7.5913  101.030   11.512  114.062   10.098  191.665   11.115  204.232   9.1499 -12.56645 14.39693 
1 1 1  -13   18   44 o  220.001   7.0209  134.209   8.2563  118.307   12.078  148.158   11.312  207.335   10.780  232.668   8.9973 -25.33344 14.04173 
1 1 1  -13   18   45 o  167.305   7.7657   76.313   6.9304   83.243   10.870   71.567   8.9958  173.416   11.600  161.194   10.328 12.22185 15.53146 
1 1 1  -13   18   46 o   48.551   14.013   3.4598   5.7686   2.6182   8.9496   4.0580   7.5450   48.929   20.392   48.173   19.226 0.7554779 28.02590 
1 1 1  -13   18   47 o  150.910   8.3850   63.547   6.7855   62.221   10.178   64.608   9.1043  149.191   12.624  152.629   11.039 -3.437790 16.76992 
1 1 1  -13   18   48 o  123.968   9.9001   43.453   6.5288   42.790   10.103   43.929   8.5549  122.666   15.242  125.269   12.638 -2.602165 19.80015 
1 1 1  -13   18   49 o  141.375   8.8557   55.174   6.7084   64.614   10.295   48.208   8.8436  151.694   12.560  131.057   12.488 20.63760 17.71134 
1 1 1  -13   18   50 o   45.892   13.909   0.0413   6.2772   5.3228   9.4580  -4.1168   8.3920   52.848   21.372   38.936   17.806 13.91227 27.81786 
1 1 1  -13   18   51 o  239.432   6.7826  158.969   8.7375  160.612   12.998  157.615   11.802  240.276   10.011  238.588   9.1539 1.688446 13.56526 
1 1 1  -13   18   52 o  125.506   12.721   45.443   8.4274   41.226   10.652   52.500   13.779  118.747   16.600  132.265   19.279 -13.51815 25.44129 
1 1 1  -13   18   53 o   51.190   15.316   3.7631   7.2199  -1.5252   12.801   6.2303   8.7433   50.038   22.526   52.343   20.757 -2.304970 30.63120 
1 1 1  -13   18   54 o   83.806   14.830   25.348   7.4109   9.9302   13.017   32.741   9.0142   62.133   25.092  105.478   15.815 -43.34467 29.66053 
1 1 1  -13   18   55 o  133.992   13.034   52.143   9.4372   0.0000   0.0000   52.143   9.4372  ?   ?   133.992   13.034      ?      ? 
1 1 1  -13   18   56 o   67.913   13.227   9.3918   6.9556   31.896   10.381  -8.9440   9.3702   99.484   20.004   36.342   17.310 63.14193 26.45341 
1 1 1  -13   18   57 o   72.646   18.212   18.950   9.5745   8.9775   16.268   24.234   11.843   62.473   26.824   82.819   24.640 -20.34652 36.42360 
1 1 1  -13   18   58 o   60.017   17.758   12.674   9.3817   13.788   15.939   12.083   11.605   61.429   26.466   58.606   23.683 2.823330 35.51535 
1 1 1  -13   18   59 o   74.830   16.134   20.744   7.3306   15.881   10.662   25.103   10.095   65.832   23.600   83.827   22.006 -17.99583 32.26819 
1 1 1  -13   18   60 f   74.729   15.989   22.203   7.2994   16.580   10.766   26.988   9.9307   64.287   23.618   85.170   21.558 -20.88258 31.97723 
1 1 1  -13   19    1 o  224.264   7.2344  135.996   8.7642  131.831   12.229  140.393   12.566  220.736   10.253  227.792   10.209 -7.056290 14.46879 
1 1 1  -13   19    2 o  687.531   9.0696  1278.66   33.672  1245.85   46.575  1314.59   48.737  678.315   12.707  696.747   12.945 -18.43298 18.13914 
1 1 1  -13   19    3 o   99.569   14.425   27.977   7.5005   24.836   10.617   31.107   10.597   93.736   21.428  105.402   19.319 -11.66547 28.85067 
1 1 1  -13   19    6 o  393.774   6.9012  419.571   14.681  409.616   20.787  429.478   20.737  389.106   9.8865  398.442   9.6315 -9.335571 13.80248 
1 1 1  -13   19    8 o  587.133   8.1203  932.876   25.760  914.338   36.144  952.013   36.723  581.205   11.508  593.062   11.459 -11.85791 16.24055 
1 1 1  -13   19   10 o  216.924   7.7727  127.527   9.0970  122.998   13.079  131.773   12.662  213.175   11.354  220.673   10.618 -7.497620 15.54532 
1 1 1  -13   19   11 o  835.804   10.590  1892.17   47.810  1851.63   66.547  1935.41   68.733  826.571   14.899  845.037   15.052 -18.46625 21.17911 
1 1 1  -13   19   12 o  383.767   6.8825  398.651   14.262  392.747   20.480  404.209   19.873  380.995   9.9475  386.538   9.5142 -5.543030 13.76494 
1 1 1  -13   19   13 o  626.168   8.4890  1060.78   28.710  1032.82   39.854  1090.95   41.393  617.605   11.942  634.732   12.068 -17.12738 16.97808 
1 1 1  -13   19   14 o  172.362   13.525   80.512   12.597   80.512   12.597   0.0000   0.0000  172.362   13.525  ?   ?       ?      ? 
1 1 1  -13   19   15 o  790.213   10.125  1692.77   43.227  1666.97   60.477  1719.72   61.810  784.067   14.274  796.359   14.363 -12.29193 20.24990 
1 1 1  -13   19   16 o  285.148   7.0516  219.745   10.851  204.241   15.053  236.513   15.655  274.686   10.141  295.610   9.8006 -20.92380 14.10322 
1 1 1  -13   19   17 o  412.611   6.9412  460.538   15.469  442.074   21.629  479.874   22.134  404.142   9.9041  421.079   9.7277 -16.93716 13.88233 
1 1 1  -13   19   18 o  453.486   7.0987  555.519   17.377  526.329   23.967  587.871   25.231  440.951   10.059  466.021   10.020 -25.07028 14.19748 
1 1 1  -13   19   19 o  540.297   7.7047  790.614   22.494  784.189   31.750  797.089   31.873  538.091   10.919  542.504   10.873 -4.413696 15.40935 
1 1 1  -13   19   20 o  385.379   9.5433  402.115   19.873   0.0000   0.0000  402.115   19.873  ?   ?   385.379   9.5433      ?      ? 
1 1 1  -13   19   21 o  614.118   8.3394  1022.26   27.670  1002.26   38.731  1043.10   39.544  607.987   11.789  620.249   11.799 -12.26196 16.67885 
1 1 1  -13   19   22 o  319.141   6.6075  275.942   11.378  273.479   16.504  278.173   15.708  317.761   9.6115  320.520   9.0695 -2.758606 13.21504 
1 1 1  -13   19   23 o  377.528   9.2250  385.991   18.819   0.0000   0.0000  385.991   18.819  ?   ?   377.528   9.2250      ?      ? 
1 1 1  -13   19   24 o   63.208   16.257   9.0182   7.1907   8.4171   10.272   9.5958   10.070   62.369   23.043   64.046   22.937 -1.676857 32.51317 
1 1 1  -13   19   25 o  198.632   13.820  112.614   14.158   86.599   21.858  131.419   18.584  177.572   22.780  219.692   15.654 -42.12022 27.63997 
1 1 1  -13   19   28 o  174.800   15.442   83.401   14.586   83.401   14.586   0.0000   0.0000  174.800   15.442  ?   ?       ?      ? 
1 1 1  -13   19   29 o  304.809   7.7209  257.145   12.294  232.207   19.562  273.428   15.806  292.122   12.392  317.496   9.2130 -25.37292 15.44174 
1 1 1  -13   19   30 o  251.487   7.1168  171.707   9.6479  172.614   14.162  170.922   13.180  252.063   10.397  250.912   9.7206 1.151016 14.23351 
1 1 1  -13   19   31 o  157.423   9.1651   67.935   7.7454   64.319   11.441   70.994   10.524  153.434   13.799  161.411   12.065 -7.976578 18.33017 
1 1 1  -13   19   32 o  292.924   6.6414  233.284   10.502  229.456   15.123  236.850   14.595  290.559   9.6318  295.289   9.1467 -4.730072 13.28279 
1 1 1  -13   19   33 o  109.501   12.713   34.689   7.0696   23.906   10.154   44.834   9.8489   91.022   21.062  127.980   14.242 -36.95841 25.42509 
1 1 1  -13   19   34 o  355.681   8.9284  343.752   17.160   0.0000   0.0000  343.752   17.160  ?   ?   355.681   8.9284      ?      ? 
1 1 1  -13   19   35 o   99.907   13.201   28.413   6.9224   26.148   10.238   30.321   9.3958   95.047   20.533  104.766   16.597 -9.718857 26.40204 
1 1 1  -13   19   36 o  103.047   12.405   30.223   6.6783   26.950   9.7873   33.076   9.1355   96.637   19.417  109.458   15.445 -12.82175 24.81049 
1 1 1  -13   19   37 o  123.004   10.765   41.826   7.1323   41.418   10.482   42.177   9.7327  122.331   15.857  123.677   14.563 -1.345589 21.52984 
1 1 1  -13   19   38 o   63.633   15.532   10.471   6.7625   4.9051   10.418   14.525   8.8901   56.136   22.525   71.131   21.391 -14.99545 31.06409 
1 1 1  -13   19   39 o  376.611   6.5128  387.123   13.236  384.352   19.186  389.640   18.284  375.223   9.4627  378.000   8.9512 -2.776733 13.02560 
1 1 1  -13   19   40 o  299.171   6.4719  245.070   10.423  220.476   14.729  269.741   14.751  283.937   9.5995  314.406   8.6827 -30.46909 12.94376 
1 1 1  -13   19   41 o  215.104   7.0391  127.085   8.0922  124.427   12.318  129.103   10.733  212.888   10.708  217.320   9.1399 -4.431885 14.07812 
1 1 1  -13   19   42 o  103.146   12.527   29.876   6.6291   43.604   10.155   19.684   8.7506  124.910   15.046   81.381   20.033 43.52877 25.05383 
1 1 1  -13   19   43 o  251.840   6.6750  174.999   8.9997  165.436   13.454  182.745   12.108  245.278   10.151  258.401   8.6710 -13.12300 13.34997 
1 1 1  -13   19   44 o  188.639   7.4640   98.755   7.5402   92.575   11.220  103.846   10.183  182.923   11.351  194.355   9.6956 -11.43193 14.92791 
1 1 1  -13   19   45 o  109.051   11.510   34.858   6.4568   30.075   9.7363   38.614   8.6267  100.738   18.570  117.364   13.603 -16.62541 23.01916 
1 1 1  -13   19   46 f  239.640   6.5976  156.893   8.4440  166.287   13.123  150.255   11.031  245.429   9.8951  233.851   8.7294 11.57840 13.19530 
1 1 1  -13   19   47 o  170.448   7.9923   80.614   7.2914   82.375   11.149   79.297   9.6386  171.753   12.013  169.144   10.546 2.609024 15.98466 
1 1 1  -13   19   48 o   93.462   13.310   26.726   6.4825   22.937   9.9902   29.482   8.5197   85.577   21.602  101.348   15.557 -15.77087 26.62046 
1 1 1  -13   19   49 o   49.183   14.089   3.6289   6.1518  -2.7445   9.6399   8.0077   7.9903   43.299   19.515   55.068   20.328 -11.76902 28.17893 
1 1 1  -13   19   50 o  126.282   11.082   44.924   6.9585   69.097   10.889   28.238   9.0468  156.076   12.911   96.487   18.014 59.58880 22.16300 
1 1 1  -13   19   51 o   74.350   17.273   18.070   8.0121   19.768   9.9947   15.016   13.403   78.362   22.451   70.338   26.255 8.024025 34.54557 
1 1 1  -13   19   52 o  121.950   13.018   44.853   7.8551   46.441   13.598   44.057   9.6233  120.594   21.663  123.307   14.443 -2.712585 26.03596 
1 1 1  -13   19   53 o   73.075   16.042   13.222   7.4211   32.050   12.948   4.0127   9.0560   96.901   24.665   49.248   20.517 47.65330 32.08334 
1 1 1  -13   19   54 o  119.813   11.448   43.110   7.3563   45.374   11.200   41.393   9.7555  121.916   17.001  117.711   15.337 4.204704 22.89700 
1 1 1  -13   19   55 o  123.491   14.208   42.549   8.6072   63.086   17.039   35.513   9.9732  138.665   22.740  108.316   17.039 30.34933 28.41556 
1 1 1  -13   19   56 o   52.145   16.650  -0.4165   9.5449   5.9640   15.948  -3.9775   11.914   59.059   25.941   45.230   20.878 13.82809 33.29911 
1 1 1  -13   19   57 o   60.291   17.965   9.7737   9.7422   25.518   16.649   1.5754   12.014   73.188   28.763   47.395   21.531 25.79225 35.92936 
1 1 1  -13   19   58 o   58.037   15.953   10.969   7.1327   12.135   10.806   10.068   9.4951   59.854   23.272   56.219   21.827 3.635403 31.90648 
1 1 1  -13   19   59 o   40.653   13.258  -1.5483   6.7198  -0.1522   10.118  -2.6502   8.9887   42.721   19.542   38.585   17.923 4.136280 26.51691 
1 1 1  -13   20    1 o  169.727   9.4034   77.887   8.5795   67.438   11.844   89.424   12.445  157.752   13.894  181.701   12.675 -23.94910 18.80681 
1 1 1  -13   20    5 o  231.423   10.694  144.969   13.373   0.0000   0.0000  144.969   13.373  ?   ?   231.423   10.694      ?      ? 
1 1 1  -13   20    6 o  501.902   7.4705  679.402   20.222  641.718   27.577  723.234   29.741  486.909   10.481  516.895   10.648 -29.98630 14.94107 
1 1 1  -13   20    7 o   94.210   15.035   25.023   7.7512   33.270   10.864   16.473   11.062  110.658   18.169   77.762   23.959 32.89554 30.06918 
1 1 1  -13   20    8 o  276.188   7.0420  206.370   10.489  207.753   15.343  205.157   14.372  277.042   10.249  275.333   9.6601 1.708679 14.08395 
1 1 1  -13   20    9 o  334.914   9.4883  303.546   17.171   0.0000   0.0000  303.546   17.171  ?   ?   334.914   9.4883      ?      ? 
1 1 1  -13   20   11 o  289.120   9.9070  226.249   15.478   0.0000   0.0000  226.249   15.478  ?   ?   289.120   9.9070      ?      ? 
1 1 1  -13   20   12 o  852.592   10.792  1971.21   49.702  1933.17   69.188  2011.76   71.445  844.120   15.168  861.063   15.355 -16.94299 21.58357 
1 1 1  -13   20   13 o  195.060   8.3847  103.140   8.8217  101.788   12.823  104.355   12.156  193.829   12.242  196.291   11.460 -2.462097 16.76945 
1 1 1  -13   20   14 o  239.598   7.5008  155.496   9.6985  154.397   14.055  156.495   13.400  238.775   10.893  240.421   10.315 -1.645569 15.00154 
1 1 1  -13   20   15 o  978.711   12.195  2602.12   64.455  2541.86   89.309  2667.62   93.117  966.950   17.092  990.471   17.398 -23.52155 24.38939 
1 1 1  -13   20   16 o  797.207   10.223  1722.92   43.995  1670.44   60.571  1781.53   64.008  784.420   14.290  809.994   14.624 -25.57361 20.44654 
1 1 1  -13   20   17 o  439.380   7.1355  521.692   16.920  488.980   23.321  558.047   24.585  424.865   10.158  453.895   10.024 -29.03021 14.27103 
1 1 1  -13   20   18 o  378.181   6.8311  387.529   13.950  382.379   20.028  392.382   19.442  375.720   9.8645  380.642   9.4525 -4.922150 13.66229 
1 1 1  -13   20   19 o  174.099   8.9913   82.389   8.4367   89.253   11.935   75.534   11.927  181.390   12.177  166.808   13.233 14.58218 17.98254 
1 1 1  -13   20   20 o  431.998   9.7866  505.578   22.846   0.0000   0.0000  505.578   22.846  ?   ?   431.998   9.7866      ?      ? 
1 1 1  -13   20   21 o  357.614   13.131  347.297   25.374   0.0000   0.0000  347.297   25.374  ?   ?   357.614   13.131      ?      ? 
1 1 1  -13   20   22 o  124.858   15.695   43.928   10.258   49.054   14.160   38.266   14.882  133.926   19.566  115.791   24.546 18.13451 31.39020 
1 1 1  -13   20   26 o   79.934   17.653   17.676   8.5184   14.962   12.346   20.142   11.769   75.586   25.494   84.281   24.425 -8.695084 35.30607 
1 1 1  -13   20   27 f  357.521   9.2203  346.780   17.813   0.0000   0.0000  346.780   17.813  ?   ?   357.521   9.2203      ?      ? 
1 1 1  -13   20   28 f  265.099   9.4583  190.799   13.549   0.0000   0.0000  190.799   13.549  ?   ?   265.099   9.4583      ?      ? 
1 1 1  -13   20   29 o  329.884   6.7714  295.832   12.059  291.856   17.379  299.522   16.746  327.700   9.8141  332.069   9.3323 -4.369446 13.54286 
1 1 1  -13   20   30 o  284.954   6.7881  220.940   10.438  214.445   15.020  227.004   14.515  280.847   9.8974  289.060   9.2927 -8.213684 13.57620 
1 1 1  -13   20   31 o  136.073   10.347   50.826   7.5695   44.613   10.626   57.227   10.786  127.509   15.422  144.636   13.800 -17.12645 20.69486 
1 1 1  -13   20   32 o  123.805   10.777   42.077   7.1912   46.305   10.338   38.113   10.010  129.894   14.728  117.716   15.737 12.17748 21.55348 
1 1 1  -13   20   33 o  154.557   9.5070   66.664   7.6933   47.749   10.826   85.962   10.935  131.690   15.213  177.423   11.405 -45.73367 19.01398 
1 1 1  -13   20   34 o  102.404   12.931   29.857   6.9510   26.145   9.9607   33.381   9.7047   94.989   20.036  109.820   16.354 -14.83048 25.86291 
1 1 1  -13   20   35 o  155.058   9.3011   68.685   7.4600   49.044   10.993   85.453   10.157  133.237   15.268  176.879   10.627 -43.64174 18.60221 
1 1 1  -13   20   36 o  237.229   7.0746  154.635   9.0068  140.169   13.087  167.655   12.415  226.445   10.695  248.013   9.2638 -21.56818 14.14912 
1 1 1  -13   20   37 o   84.103   15.057   20.853   6.8558   19.605   9.7480   22.074   9.6439   81.574   21.726   86.633   20.852 -5.059250 30.11366 
1 1 1  -13   20   38 o  158.836   8.8493   70.676   7.4660   59.563   10.972   80.257   10.188  146.665   13.845  171.008   11.026 -24.34302 17.69853 
1 1 1  -13   20   39 o  212.665   7.2504  123.994   8.2578  123.858   12.532  124.097   10.978  212.357   10.922  212.974   9.5390 -0.6166840 14.50072 
1 1 1  -13   20   40 o  155.055   8.8121   66.726   7.2745   64.718   11.192   68.195   9.5724  152.706   13.563  157.405   11.254 -4.699432 17.62415 
1 1 1  -13   20   41 o  254.975   6.6643  179.254   9.1023  169.037   13.562  187.627   12.278  248.046   10.118  261.905   8.6758 -13.85954 13.32865 
1 1 1  -13   20   42 o  165.971   8.1272   76.446   7.1357   75.122   11.241   77.341   9.2347  164.345   12.658  167.598   10.197 -3.252472 16.25440 
1 1 1  -13   20   43 o   93.268   13.007   24.025   6.3249   33.742   10.358   18.247   7.9871  108.520   17.663   78.016   19.100 30.50454 26.01468 
1 1 1  -13   20   44 o   65.555   15.219   11.523   6.2148   17.879   10.087   7.6348   7.8902   76.186   22.758   54.923   20.213 21.26326 30.43793 
1 1 1  -13   20   45 o   86.487   14.043   23.015   6.4235   20.020   9.5796   25.462   8.6585   80.502   21.581   92.472   17.975 -11.96942 28.08660 
1 1 1  -13   20   46 o  119.416   10.678   40.409   6.8628   43.805   10.283   37.682   9.2156  123.794   15.372  115.037   14.825 8.757294 21.35604 
1 1 1  -13   20   47 o   55.209   14.704   6.6677   6.5314  -1.3046   9.9823   12.636   8.6368   45.656   20.267   64.761   21.310 -19.10493 29.40894 
1 1 1  -13   20   48 o  186.060   7.9039   97.581   7.8412   92.279   11.896  101.655   10.427  180.959   12.165  191.161   10.095 -10.20148 15.80787 
1 1 1  -13   20   49 o   52.347   14.994   4.7998   6.5649   8.3616   10.157   2.2444   8.6034   58.017   22.562   46.677   19.755 11.34036 29.98828 
1 1 1  -13   20   50 o   95.739   16.577   30.092   8.1925   30.372   10.022   29.527   14.222   98.991   19.430   92.488   26.864 6.502754 33.15425 
1 1 1  -13   20   51 o  127.164   10.921   46.681   7.4392   56.034   11.231   39.370   9.9299  138.638   14.992  115.690   15.884 22.94817 21.84146 
1 1 1  -13   20   52 o   52.941   15.969   4.2716   7.6668   6.0428   13.277   3.3854   9.3909   57.203   24.388   48.678   20.623 8.524933 31.93863 
1 1 1  -13   20   53 o  166.257   8.9933   81.264   7.9267   70.177   11.796   90.392   10.703  154.443   14.135  178.072   11.123 -23.62808 17.98656 
1 1 1  -13   20   54 o   93.872   16.194   33.125   10.273   5.1036   16.483   50.923   13.137   59.548   26.257  128.196   18.964 -68.64824 32.38894 
1 1 1  -13   20   55 o   66.731   16.864   12.807   10.012 -12.9730   16.413   28.086   12.635   46.299   22.279   87.163   25.322 -40.86386 33.72800 
1 1 1  -13   20   56 o   46.976   14.869  -0.3980   8.1401  -9.4638   11.187   9.8018   11.866   38.169   18.373   55.782   23.383 -17.61356 29.73770 
1 1 1  -13   20   57 o   65.851   16.089   14.453   7.1694   23.828   11.275   8.0896   9.2892   78.884   24.170   52.819   21.244 26.06503 32.17862 
1 1 1  -13   20   58 o   38.332   12.756  -4.6929   6.9038  -9.7613   10.595  -0.9531   9.1012   36.391   17.607   40.272   18.464 -3.881649 25.51283 
1 1 1  -13   21    1 o  125.100   16.237   42.494   10.976   0.0000   0.0000   42.494   10.976  ?   ?   125.100   16.237      ?      ? 
1 1 1  -13   21    2 o  477.088   7.3869  616.274   19.042  608.614   26.953  623.908   26.907  474.121   10.520  480.056   10.372 -5.934082 14.77378 
1 1 1  -13   21    4 o  281.502   7.0454  214.419   10.713  217.555   15.408  211.484   14.905  283.489   10.058  279.516   9.8683 3.973328 14.09088 
1 1 1  -13   21    6 o  181.068   8.9587   88.837   8.7410   80.142   12.192   98.034   12.539  171.933   13.122  190.204   12.200 -18.27081 17.91740 
1 1 1  -13   21    7 o  253.323   7.2354  173.798   9.8957  172.635   14.269  174.876   13.736  252.494   10.458  254.152   10.002 -1.658249 14.47072 
1 1 1  -13   21    8 o  929.465   11.655  2345.63   58.503  2289.15   81.061  2407.03   84.517  917.843   16.344  941.088   16.620 -23.24548 23.30972 
1 1 1  -13   21    9 o  438.442   9.9335  520.531   23.534   0.0000   0.0000  520.531   23.534  ?   ?   438.442   9.9335      ?      ? 
1 1 1  -13   21   10 o  200.144   11.930  108.595   12.902   0.0000   0.0000  108.595   12.902  ?   ?   200.144   11.930      ?      ? 
1 1 1  -13   21   11 o  195.902   8.2388  103.754   8.7085   98.781   11.926  109.436   12.746  190.892   11.561  200.912   11.741 -10.02072 16.47753 
1 1 1  -13   21   12 o  692.920   9.1868  1302.46   34.392  1277.42   48.119  1328.61   49.175  686.116   12.979  699.723   13.005 -13.60693 18.37361 
1 1 1  -13   21   13 o  689.835   12.874  1291.33   47.991   0.0000   0.0000  1291.33   47.991  ?   ?   689.835   12.874      ?      ? 
1 1 1  -13   21   14 o  305.590   7.1221  253.123   11.732  251.153   17.166  254.849   16.071  304.444   10.435  306.736   9.6960 -2.292816 14.24415 
1 1 1  -13   21   15 o   92.838   17.414   24.578   8.7738   25.279   11.302   23.514   13.918   94.218   22.508   91.457   26.579 2.761139 34.82882 
1 1 1  -13   21   16 o  279.077   13.425  211.509   20.246   0.0000   0.0000  211.509   20.246  ?   ?   279.077   13.425      ?      ? 
1 1 1  -13   21   17 o  238.026   9.7448  154.397   12.494  162.117   17.295  145.969   18.070  244.333   13.099  231.719   14.431 12.61383 19.48961 
1 1 1  -13   21   18 o  414.074   9.5539  461.557   21.270  511.937   32.088  422.072   28.407  434.010   13.682  394.138   13.338 39.87207 19.10773 
1 1 1  -13   21   19 o  235.968   9.7814  151.596   12.457  156.149   17.375  146.779   17.870  239.663   13.416  232.272   14.238 7.391510 19.56289 
1 1 1  -13   21   20 o  239.778   14.344  156.531   18.585   0.0000   0.0000  156.531   18.585  ?   ?   239.778   14.344      ?      ? 
1 1 1  -13   21   22 o  725.080   19.092  1442.57   74.803   0.0000   0.0000  1442.57   74.803  ?   ?   725.080   19.092      ?      ? 
1 1 1  -13   21   23 o  213.397   14.285  132.044   15.384  102.950   25.050  149.662   19.493  192.693   24.058  234.101   15.410 -41.40860 28.56974 
1 1 1  -13   21   24 o  292.475   6.9676  232.242   11.006  223.009   15.518  241.588   15.613  286.601   10.020  298.348   9.6843 -11.74719 13.93528 
1 1 1  -13   21   25 o  146.517   10.076   57.962   7.9029   70.400   11.824   47.921   10.624  160.630   13.623  132.405   14.850 28.22543 20.15158 
1 1 1  -13   21   26 o  140.473   10.602   55.036   7.8781   47.619   11.901   60.822   10.511  131.663   16.727  149.283   13.030 -17.61981 21.20341 
1 1 1  -13   21   27 o  228.025   7.5148  141.900   9.2186  126.608   13.035  157.202   13.039  215.611   11.188  240.440   10.036 -24.82832 15.02959 
1 1 1  -13   21   28 o  463.160   7.2085  583.638   18.028  578.457   25.933  588.485   25.080  461.105   10.408  465.215   9.9765 -4.110229 14.41709 
1 1 1  -13   21   29 o  257.509   9.7262  180.316   13.534   0.0000   0.0000  180.316   13.534  ?   ?   257.509   9.7262      ?      ? 
1 1 1  -13   21   30 o  190.913   7.9301   99.915   8.1376   92.533   11.832  106.542   11.210  184.074   11.895  197.752   10.491 -13.67740 15.86016 
1 1 1  -13   21   31 o  365.921   6.7371  364.858   13.298  359.454   19.309  369.733   18.340  363.248   9.8370  368.593   9.2079 -5.344727 13.47413 
1 1 1  -13   21   32 f   49.854   14.752   1.3300   6.7560  -1.7105   9.5597   4.3636   9.5490   45.911   20.127   53.797   21.573 -7.885422 29.50445 
1 1 1  -13   21   33 o  106.276   12.970   31.675   7.2407   37.587   10.775   26.808   9.7775  116.291   17.146   96.260   19.466 20.03061 25.94090 
1 1 1  -13   21   34 o  112.467   11.992   35.048   7.0453   43.404   10.668   28.584   9.3828  125.145   15.775   99.789   18.066 25.35662 23.98358 
1 1 1  -13   21   35 o   89.938   14.697   23.663   7.0051   26.711   10.213   20.954   9.6264   95.535   20.404   84.341   21.158 11.19460 29.39349 
1 1 1  -13   21   36 o   94.720   13.762   26.022   7.0572   40.917   10.357   13.113   9.6418  121.111   15.826   68.329   22.518 52.78141 27.52310 
1 1 1  -13   21   37 o  126.053   14.518   44.182   9.8889   0.0000   0.0000   44.182   9.8889  ?   ?   126.053   14.518      ?      ? 
1 1 1  -13   21   38 o  186.682   7.8489   96.240   7.8840   89.715   11.413  102.197   10.904  180.419   11.707  192.945   10.458 -12.52638 15.69773 
1 1 1  -13   21   39 o   82.671   14.882   20.755   6.6858   17.790   10.085   23.080   8.9300   77.044   22.693   88.297   19.258 -11.25247 29.76330 
1 1 1  -13   21   40 o  234.618   6.8709  152.078   8.6306  144.404   12.918  158.265   11.599  228.937   10.443  240.298   8.9326 -11.36063 13.74183 
1 1 1  -13   21   41 o   51.948   14.114   4.4991   6.1866  -4.3994   9.6771   10.650   8.0456   42.517   19.318   61.379   20.581 -18.86139 28.22721 
1 1 1  -13   21   42 o  189.449   7.7050  100.276   7.7965   92.127   11.639  106.909   10.500  181.989   11.835  196.909   9.8686 -14.91978 15.40991 
1 1 1  -13   21   43 o  253.074   6.8069  177.843   9.2237  165.294   13.691  188.273   12.482  244.434   10.365  261.714   8.8259 -17.28003 13.61371 
1 1 1  -13   21   44 o  145.446   9.3885   59.453   7.3525   60.469   10.900   58.605   9.9593  146.360   13.783  144.533   12.752 1.826660 18.77695 
1 1 1  -13   21   45 o  178.478   8.2901   90.405   7.8615   79.337   11.738   99.408   10.586  167.753   12.949  189.204   10.354 -21.45093 16.58023 
1 1 1  -13   21   46 o  166.071   8.5245   77.231   7.5711   79.705   11.636   75.414   9.9704  167.943   12.822  164.198   11.237 3.745346 17.04892 
1 1 1  -13   21   47 o   93.481   13.687   26.198   6.5777   31.404   10.543   22.881   8.4167  100.620   20.094   86.343   18.590 14.27709 27.37398 
1 1 1  -13   21   48 o   45.877   13.433  -3.5182   6.2974   10.585   9.5258 -14.4671   8.3931   60.965   22.243   30.789   15.067 30.17650 26.86619 
1 1 1  -13   21   49 o   76.939   16.314   21.111   8.4307   28.741   10.161   4.2523   15.104   95.282   20.353   58.596   25.503 36.68647 32.62862 
1 1 1  -13   21   50 o   72.790   16.215   17.433   7.1130   17.463   10.439   17.407   9.7182   72.718   23.394   72.861   22.458 -0.1426086 32.42935 
1 1 1  -13   21   51 f  133.549   12.086   52.242   8.2100   60.856   14.621   48.276   9.9220  139.043   19.460  128.055   14.339 10.98769 24.17180 
1 1 1  -13   21   52 o   88.454   18.884   28.016   9.0479   30.203   18.451   27.323   10.382   86.311   31.034   90.598   21.525 -4.287216 37.76819 
1 1 1  -13   21   53 o   57.129   17.157   4.7474   10.110 -12.8829   17.719   13.257   12.310   49.240   23.550   65.017   24.958 -15.77725 34.31500 
1 1 1  -13   21   54 o   51.508   16.631   2.0049   9.7750   1.5405   17.384   2.2196   11.821   54.218   25.094   48.798   21.831 5.419819 33.26115 
1 1 1  -13   21   55 o  143.205   15.564   63.497   12.044   63.497   12.044   0.0000   0.0000  143.205   15.564  ?   ?       ?      ? 
1 1 1  -13   21   56 o  141.669   10.547   61.613   8.0031   66.227   12.295   58.221   10.542  145.311   15.658  138.027   14.135 7.283951 21.09431 
1 1 1  -13   22    1 o  244.264   7.3625  161.563   9.7143  165.694   13.973  157.698   13.515  247.281   10.457  241.247   10.367 6.034470 14.72497 
1 1 1  -13   22    2 o  556.591   8.0146  839.169   24.095  812.773   33.508  867.430   34.672  547.537   11.325  565.645   11.344 -18.10767 16.02922 
1 1 1  -13   22    3 f  262.524   7.2677  186.709   10.309  182.519   14.497  190.995   14.662  259.541   10.337  265.507   10.219 -5.966553 14.53549 
1 1 1  -13   22    5 f  695.790   13.103  1314.08   49.266   0.0000   0.0000  1314.08   49.266  ?   ?   695.790   13.103      ?      ? 
1 1 1  -13   22    6 o  585.508   15.969  932.658   50.526   0.0000   0.0000  932.658   50.526  ?   ?   585.508   15.969      ?      ? 
1 1 1  -13   22    7 o  654.649   17.231  1167.34   60.953   0.0000   0.0000  1167.34   60.953  ?   ?   654.649   17.231      ?      ? 
1 1 1  -13   22    8 o  354.379   8.0960  340.299   15.127  339.425   19.368  341.667   24.224  353.936   10.127  354.822   12.634 -0.8858032 16.19195 
1 1 1  -13   22    9 o  202.943   10.166  112.117   11.120  115.045   15.315  108.851   16.172  205.799   13.771  200.087   14.957 5.712311 20.33123 
1 1 1  -13   22   10 f  239.995   9.5645  156.747   12.377  166.599   17.377  146.599   17.635  247.715   12.981  232.275   14.050 15.44055 19.12900 
1 1 1  -13   22   11 o  126.013   15.311   45.223   9.9544   55.158   13.804   34.459   14.368  142.202   17.964  109.824   24.798 32.37736 30.62118 
1 1 1  -13   22   12 o  123.400   14.935   43.839   9.3758   49.730   12.295   35.653   14.494  135.080   16.844  111.720   24.668 23.36013 29.86986 
1 1 1  -13   22   13 o  120.964   14.613   40.386   9.1507   39.122   11.769   42.320   14.552  119.695   18.196  122.234   22.872 -2.539375 29.22690 
1 1 1  -13   22   14 o  230.291   9.4004  143.939   11.654  141.757   15.755  146.577   17.317  228.420   12.764  232.162   13.804 -3.741562 18.80073 
1 1 1  -13   22   15 o  159.668   11.572   69.228   9.9415   66.261   13.345   72.928   14.902  155.891   15.842  163.446   16.873 -7.554703 23.14448 
1 1 1  -13   22   16 o  110.020   16.336   34.336   9.5908   26.261   13.563   42.410   13.563   95.729   25.686  124.311   20.192 -28.58266 32.67232 
1 1 1  -13   22   17 o  329.778   8.0756  298.089   13.856  285.135   22.656  305.830   17.513  323.752   12.950  335.804   9.6514 -12.05161 16.15117 
1 1 1  -13   22   18 o   78.929   20.889   11.950   13.192 -10.5856   22.939   23.086   16.125   66.520   30.031   91.338   29.044 -24.81741 41.77775 
1 1 1  -13   22   19 o   52.731   17.440 -18.9373   12.835 -39.1441   20.956  -6.8063   16.237   48.668   23.816   56.793   25.485 -8.125210 34.88073 
1 1 1  -13   22   20 o  116.367   19.265   33.499   13.199   68.108   21.231   11.694   16.852  156.457   25.112   76.277   29.221 80.17987 38.52905 
1 1 1  -13   22   21 o  176.380   11.212   85.118   10.278   85.108   12.886   85.135   17.038  176.671   13.498  176.090   17.906 0.5809937 22.42380 
1 1 1  -13   22   22 o  310.118   9.5721  261.159   16.041   0.0000   0.0000  261.159   16.041  ?   ?   310.118   9.5721      ?      ? 
1 1 1  -13   22   23 o  174.838   9.2669   84.800   8.5423   63.758   12.096  105.738   12.066  152.619   14.667  197.057   11.331 -44.43848 18.53386 
1 1 1  -13   22   24 o   81.087   15.730   18.383   7.5222   27.517   10.810   9.8084   10.474   97.761   21.083   64.414   23.351 33.34772 31.46058 
1 1 1  -13   22   25 o  190.503   8.4398  100.189   8.5378   79.524   12.134  120.452   12.015  170.615   13.161  210.390   10.569 -39.77539 16.87953 
1 1 1  -13   22   26 o  462.007   10.023  580.612   25.023   0.0000   0.0000  580.612   25.023  ?   ?   462.007   10.023      ?      ? 
1 1 1  -13   22   27 o  179.945   8.4464   87.806   8.1742   94.515   12.309   82.513   10.933  186.003   12.247  173.887   11.635 12.11690 16.89275 
1 1 1  -13   22   28 o   78.967   15.167   16.182   7.2857   29.853   11.093   5.8124   9.6614  101.586   20.906   56.348   21.979 45.23832 30.33353 
1 1 1  -13   22   29 o  112.858   13.353   38.251   7.4970   21.385   10.779   54.053   10.434   85.469   22.884  140.248   13.768 -54.77850 26.70621 
1 1 1  -13   22   30 o  128.280   10.647   45.542   7.3246   38.861   10.266   52.471   10.454  118.488   16.033  138.072   14.012 -19.58441 21.29310 
1 1 1  -13   22   31 o  417.282   9.5310  474.724   21.491   0.0000   0.0000  474.724   21.491  ?   ?   417.282   9.5310      ?      ? 
1 1 1  -13   22   32 o   68.639   16.252   12.829   7.0760   13.955   10.497   11.890   9.5799   70.941   23.500   66.337   22.457 4.604599 32.50499 
1 1 1  -13   22   33 o  107.643   12.711   33.166   7.1443   31.196   10.693   34.755   9.6022  103.535   19.835  111.752   15.901 -8.217728 25.42159 
1 1 1  -13   22   34 o  106.222   13.132   33.063   7.2012   27.262   10.726   37.824   9.7167   95.944   21.249  116.500   15.435 -20.55544 26.26314 
1 1 1  -13   22   35 o  106.776   13.679   34.527   7.4472   22.436   10.934   44.991   10.172   86.438   23.003  127.114   14.808 -40.67616 27.35776 
1 1 1  -13   22   36 o  209.124   7.3916  120.328   8.3336  113.470   11.942  126.836   11.635  203.166   10.878  215.082   10.011 -11.91599 14.78324 
1 1 1  -13   22   37 o  248.916   6.9739  169.549   9.3109  174.013   14.126  166.119   12.381  251.593   10.390  246.239   9.3049 5.353912 13.94785 
1 1 1  -13   22   38 o  181.943   10.643   91.271   10.464   0.0000   0.0000   91.271   10.464  ?   ?   181.943   10.643      ?      ? 
1 1 1  -13   22   39 f  242.376   6.9526  162.208   9.0699  152.247   13.143  171.263   12.532  235.012   10.350  249.741   9.2864 -14.72878 13.90518 
1 1 1  -13   22   40 o   40.092   13.018  -5.5500   6.3762  -2.9602   9.6836  -7.5322   8.4719   43.802   19.666   36.382   17.063 7.419621 26.03662 
1 1 1  -13   22   41 o  100.403   13.176   30.304   6.8571   26.274   10.397   33.407   9.1225   92.499   21.247  108.307   15.587 -15.80815 26.35169 
1 1 1  -13   22   42 o  257.045   9.0147  181.871   12.521   0.0000   0.0000  181.871   12.521  ?   ?   257.045   9.0147      ?      ? 
1 1 1  -13   22   43 o  129.809   13.320   47.576   9.3432   0.0000   0.0000   47.576   9.3432  ?   ?   129.809   13.320      ?      ? 
1 1 1  -13   22   44 o  108.863   13.141   37.012   7.2028   27.217   10.941   44.505   9.5691   92.766   22.134  124.961   14.171 -32.19535 26.28222 
1 1 1  -13   22   45 o   58.856   15.649   9.1197   6.7342   11.026   10.102   7.5953   9.0342   62.257   22.877   55.455   21.357 6.801826 31.29708 
1 1 1  -13   22   46 o   46.961   14.221   1.1563   6.6228  -3.9725   10.178   4.9231   8.7221   43.175   19.692   50.746   20.523 -7.570774 28.44280 
1 1 1  -13   22   47 o   64.880   15.823   13.025   6.7124   11.441   10.707   14.051   8.6158   62.918   23.470   66.842   21.227 -3.924000 31.64585 
1 1 1  -13   22   48 o   79.485   17.919   19.965   8.5501   14.486   10.733   29.482   14.145   67.475   23.732   91.494   26.853 -24.01855 35.83705 
1 1 1  -13   22   49 o   58.521   17.043   1.8412   8.6354  -6.6941   10.392   20.881   15.521   40.550   18.979   76.493   28.313 -35.94350 34.08590 
1 1 1  -13   22   50 o  187.302   9.8493  102.130   9.3663  105.653   16.323  100.401   11.436  187.116   16.143  187.488   11.288 -0.3717804 19.69868 
1 1 1  -13   22   51 o   70.229   17.715   15.920   10.546 -10.3784   19.009   27.613   12.675   52.245   24.819   88.214   25.286 -35.96925 35.43069 
1 1 1  -13   22   52 o   56.645   17.587  -2.6639   10.339   19.727   17.715 -14.2297   12.732   73.345   29.394   39.944   19.320 33.40134 35.17488 
1 1 1  -13   22   53 o  166.794   10.474   85.997   9.4040   82.688   12.677   90.045   14.023  163.961   14.308  169.627   15.299 -5.666504 20.94728 
1 1 1  -13   22   54 o  178.740   9.0409   94.700   8.6004   92.565   13.222   96.266   11.323  175.539   13.939  181.941   11.517 -6.401810 18.08175 
1 1 1  -13   22   55 o   65.813   16.666   17.456   7.5911   15.405   11.459   19.059   10.133   62.273   24.034   69.353   23.096 -7.080006 33.33242 
1 1 1  -13   23    1 o  223.562   12.912  135.811   15.598  135.811   15.598   0.0000   0.0000  223.562   12.912  ?   ?       ?      ? 
1 1 1  -13   23    2 o   89.412   17.399   22.434   8.6744   19.160   11.693   26.441   12.935   82.700   24.457   96.124   24.754 -13.42419 34.79742 
1 1 1  -13   23    3 o  426.661   9.3598  494.742   21.576  490.766   30.226  498.874   30.809  424.927   13.164  428.395   13.309 -3.467560 18.71953 
1 1 1  -13   23    4 f  418.096   9.4071  475.004   21.245  468.468   29.565  481.982   30.549  415.147   13.179  421.044   13.427 -5.897034 18.81429 
1 1 1  -13   23    5 o  622.421   11.785  1056.98   39.638  1057.21   56.025  1056.76   56.087  622.491   16.656  622.350   16.678 0.1406860 23.57042 
1 1 1  -13   23    6 o  297.291   8.9003  240.101   14.295  246.847   20.372  233.559   20.064  301.414   12.508  293.168   12.665 8.245880 17.80052 
1 1 1  -13   23    7 o  361.170   9.0158  354.513   17.592  364.640   25.009  344.595   24.750  366.294   12.635  356.046   12.864 10.24838 18.03169 
1 1 1  -13   23    8 o  342.625   8.0261  320.590   14.580  308.559   22.711  329.026   19.017  336.952   12.473  348.298   10.104 -11.34561 16.05211 
1 1 1  -13   23    9 o  281.223   7.8301  209.342   11.632  239.640   18.987  191.136   14.718  297.012   11.830  265.434   10.261 31.57828 15.66017 
1 1 1  -13   23   10 o  174.996   10.061   82.667   9.4154   88.423   14.578   78.548   12.333  180.100   14.980  169.893   13.434 10.20680 20.12099 
1 1 1  -13   23   11 o  257.313   7.5668  180.059   10.502  170.852   15.032  188.836   14.678  250.832   11.091  263.795   10.297 -12.96286 15.13367 
1 1 1  -13   23   13 o  141.421   10.525   54.370   7.9879   46.071   10.965   63.755   11.660  129.893   15.622  152.950   14.108 -23.05779 21.04947 
1 1 1  -13   23   14 o  377.609   9.8326  386.934   20.063   0.0000   0.0000  386.934   20.063  ?   ?   377.609   9.8326      ?      ? 
1 1 1  -13   23   15 o  196.410   13.481  100.774   11.982  115.833   25.926   96.684   13.512  204.430   23.470  188.391   13.273 16.03889 26.96286 
1 1 1  -13   23   16 o  161.738   17.614   77.046   14.165   61.734   22.595   86.959   18.180  145.634   29.718  177.842   18.918 -32.20811 35.22884 
1 1 1  -13   23   17 o  197.106   13.966  106.069   14.646  112.950   23.097  101.441   18.941  202.111   21.149  192.100   18.246 10.01117 27.93193 
1 1 1  -13   23   18 o   74.625   17.943   14.210   9.6619   22.592   11.679  -3.9662   17.199   88.522   23.870   60.728   26.797 27.79398 35.88668 
1 1 1  -13   23   19 o  189.520   12.481   97.966   12.782   0.0000   0.0000   97.966   12.782  ?   ?   189.520   12.481      ?      ? 
1 1 1  -13   23   21 o  327.131   9.5131  290.810   16.816   0.0000   0.0000  290.810   16.816  ?   ?   327.131   9.5131      ?      ? 
1 1 1  -13   23   22 o  164.282   9.5503   73.685   8.4720   77.232   12.238   70.421   11.740  168.077   13.475  160.486   13.538 7.591354 19.10051 
1 1 1  -13   23   23 o   90.678   15.176   23.829   7.3286   22.080   10.415   25.544   10.314   87.278   22.070   94.078   20.838 -6.799500 30.35282 
1 1 1  -13   23   24 o  158.880   9.6966   69.179   8.2329   56.314   11.377   83.324   11.929  143.202   14.702  174.557   12.647 -31.35538 19.39320 
1 1 1  -13   23   25 o  107.295   14.035   33.343   7.8366   26.049   11.376   39.929   10.810   94.402   22.601  120.187   16.645 -25.78521 28.06942 
1 1 1  -13   23   26 o  232.796   7.3761  147.406   9.2537  153.787   13.700  142.053   12.549  237.360   10.681  228.232   10.175 9.127716 14.75219 
1 1 1  -13   23   27 o  199.373   8.2491  108.147   8.8481  115.371   13.287  102.392   11.860  205.251   11.980  193.496   11.343 11.75479 16.49813 
1 1 1  -13   23   28 f   81.172   15.088   19.572   7.1010   10.591   10.439   27.307   9.6874   65.093   23.350   97.251   19.116 -32.15778 30.17681 
1 1 1  -13   23   29 o  367.207   9.2393  367.552   18.333   0.0000   0.0000  367.552   18.333  ?   ?   367.207   9.2393      ?      ? 
1 1 1  -13   23   30 o  158.088   9.4720   68.707   8.0803   72.821   11.802   65.077   11.086  162.520   13.439  153.656   13.352 8.864166 18.94403 
1 1 1  -13   23   31 f  263.864   6.9698  190.337   9.9052  191.532   14.630  189.326   13.459  264.502   10.236  263.225   9.4626 1.276917 13.93953 
1 1 1  -13   23   32 o  113.258   12.157   35.913   7.4191   39.905   10.829   32.381   10.185  119.266   16.803  107.250   17.574 12.01554 24.31429 
1 1 1  -13   23   33 o  101.807   13.493   30.273   7.1457   30.089   10.286   30.445   9.9341  101.349   19.490  102.266   18.665 -0.9163513 26.98548 
1 1 1  -13   23   34 o  217.155   7.4700  130.484   8.6916  120.193   12.818  139.244   11.826  208.891   11.356  225.418   9.7083 -16.52663 14.93998 
1 1 1  -13   23   35 o   86.418   14.556   22.958   7.1127   13.145   10.667   30.814   9.5443   68.510   23.683  104.327   16.930 -35.81645 29.11211 
1 1 1  -13   23   36 o   63.383   16.154   10.389   7.1504   13.677   10.377   7.4169   9.8663   68.957   23.373   57.809   22.304 11.14788 32.30710 
1 1 1  -13   23   37 o  287.999   6.7549  228.284   10.494  222.194   15.172  233.870   14.530  284.140   9.8812  291.859   9.2128 -7.719330 13.50976 
1 1 1  -13   23   38 o   72.056   16.083   15.807   7.3166   9.5975   11.178   20.461   9.6776   62.484   23.832   81.628   21.603 -19.14414 32.16597 
1 1 1  -13   23   39 o   60.541   15.807   9.1887   7.0900   4.2156   10.418   13.479   9.6764   53.563   22.135   67.519   22.571 -13.95576 31.61333 
1 1 1  -13   23   40 o  144.148   9.7300   58.054   7.5440   65.239   11.315   52.303   10.122  152.102   13.766  136.194   13.754 15.90817 19.45993 
1 1 1  -13   23   41 o  157.394   9.0266   69.759   7.6605   68.282   11.128   71.089   10.562  155.576   13.237  159.212   12.276 -3.636749 18.05312 
1 1 1  -13   23   42 o  115.562   11.740   39.024   7.2712   34.973   10.528   42.719   10.055  109.164   17.847  121.959   15.257 -12.79510 23.47947 
1 1 1  -13   23   43 o   54.988   15.447   6.6901   6.8298   6.8628   10.219   6.5507   9.1815   55.951   22.360   54.026   21.320 1.924248 30.89470 
1 1 1  -13   23   44 o   63.668   15.833   10.291   7.1197   19.417   10.944   3.5952   9.3746   77.360   23.830   49.977   20.853 27.38352 31.66583 
1 1 1  -13   23   45 o  144.250   9.7021   59.134   7.4756   62.072   11.579   57.034   9.7892  146.774   14.599  141.725   12.782 5.048645 19.40420 
1 1 1  -13   23   46 o   49.247   14.607   1.9841   7.0352  -5.9994   10.458   8.5838   9.5084   41.583   19.321   56.910   21.913 -15.32707 29.21459 
1 1 1  -13   23   47 o  168.398   11.165   82.567   9.6428   80.276   11.864   87.027   16.552  167.170   13.134  169.626   18.058 -2.455872 22.32936 
1 1 1  -13   23   48 o   66.843   18.476   13.017   9.2330   8.4935   11.280   22.200   16.072   57.168   23.260   76.517   28.714 -19.34829 36.95297 
1 1 1  -13   23   49 o   68.772   24.847   16.014   11.844   0.0000   0.0000   16.014   11.844  ?   ?    68.772   24.847      ?      ? 
1 1 1  -13   23   50 o  119.455   19.003   55.871   11.704   38.694   21.334   63.266   13.998   95.181   33.460  143.728   18.023 -48.54724 38.00510 
1 1 1  -13   23   51 o  121.966   18.088   51.468   10.845   71.486   19.832   42.928   12.953  133.936   28.289  109.997   22.550 23.93901 36.17672 
1 1 1  -13   23   52 o   78.328   16.254   21.597   7.7027   34.598   12.062   12.643   10.010   96.725   23.344   59.930   22.625 36.79490 32.50853 
1 1 1  -13   23   53 o   93.241   15.889   31.480   7.8375   33.501   12.096   30.019   10.289   94.344   23.745   92.138   21.118 2.206093 31.77771 
1 1 1  -13   24    1 o  365.375   9.7326  366.987   17.359  371.365   20.612  356.306   32.195  369.844   10.314  360.906   16.508 8.937714 19.46530 
1 1 1  -13   24    2 o  164.678   13.471   68.163   10.347   62.632   11.736   87.455   21.920  151.544   14.332  177.811   22.814 -26.26646 26.94182 
1 1 1  -13   24    3 o  227.053   7.8852  140.726   9.6116  158.624   13.565  122.678   13.621  241.704   10.386  212.401   11.868 29.30363 15.77044 
1 1 1  -13   24    5 o   65.515   16.430   10.420   7.2885   10.955   10.010   9.8157   10.633   66.077   22.937   64.954   23.531 1.123108 32.86016 
1 1 1  -13   24    6 o  311.224   7.1695  263.505   12.023  254.596   17.501  271.466   16.544  306.166   10.579  316.281   9.6800 -10.11520 14.33910 
1 1 1  -13   24   10 o  153.244   10.419   64.578   8.4584   81.004   12.173   49.246   11.761  172.391   13.068  134.097   16.231 38.29395 20.83786 
1 1 1  -13   24   11 o  257.482   10.134  180.113   14.100   0.0000   0.0000  180.113   14.100  ?   ?   257.482   10.134      ?      ? 
1 1 1  -13   24   12 o  101.593   23.155   29.339   14.337   26.351   22.994   31.239   18.337   99.453   34.750  103.733   30.612 -4.280251 46.31006 
1 1 1  -13   24   13 o  273.757   12.454  208.402   18.200  175.991   26.175  238.739   25.324  252.466   19.186  295.047   15.884 -42.58098 24.90786 
1 1 1  -13   24   14 o  148.759   20.773   67.543   15.702   51.149   25.316   77.793   20.018  130.369   35.140  167.150   22.163 -36.78059 41.54541 
1 1 1  -13   24   15 o  374.736   11.382  389.011   22.746  361.712   34.337  410.360   30.365  362.349   17.537  387.124   14.516 -24.77490 22.76471 
1 1 1  -13   24   16 o   50.913   15.397  -0.8814   7.6897   3.9176   10.997  -5.4736   10.757   56.480   22.972   45.346   20.509 11.13410 30.79495 
1 1 1  -13   24   17 o  443.093   10.149  533.974   24.300   0.0000   0.0000  533.974   24.300  ?   ?   443.093   10.149      ?      ? 
1 1 1  -13   24   18 o  173.058   9.2497   82.043   8.5659   68.032   11.942   96.891   12.294  157.656   14.018  188.460   12.072 -30.80371 18.49944 
1 1 1  -13   24   19 o  169.496   9.7882   78.932   8.9232   70.516   12.654   87.255   12.585  160.352   14.604  178.641   13.037 -18.28889 19.57650 
1 1 1  -13   24   20 o  217.441   7.9846  128.606   9.3229  109.795   12.826  149.678   13.575  200.527   11.837  234.354   10.719 -33.82616 15.96919 
1 1 1  -13   24   21 o   61.181   16.352   7.8753   7.4381   5.9314   10.456   9.8669   10.583   58.000   22.795   64.363   23.451 -6.362938 32.70401 
1 1 1  -13   24   22 o  435.743   7.2357  517.388   17.027  492.743   23.780  543.316   24.391  425.054   10.353  446.431   10.111 -21.37634 14.47149 
1 1 1  -13   24   23 o  145.680   10.032   58.401   7.8940   56.011   11.083   60.862   11.246  142.619   14.381  148.742   13.992 -6.123077 20.06487 
1 1 1  -13   24   24 o  182.885   8.6539   91.581   8.5477   94.424   12.334   88.955   11.856  185.600   12.298  180.170   12.178 5.429977 17.30780 
1 1 1  -13   24   25 o  207.889   7.8233  117.934   8.7598  105.269   12.105  131.858   12.693  196.114   11.423  219.664   10.693 -23.54994 15.64663 
1 1 1  -13   24   26 o  247.257   7.3617  167.079   9.8295  166.407   14.144  167.707   13.670  246.723   10.609  247.792   10.209 -1.068634 14.72349 
1 1 1  -13   24   27 o  131.000   11.611   49.449   7.9076   36.890   11.719   59.947   10.715  114.547   18.933  147.453   13.447 -32.90614 23.22243 
1 1 1  -13   24   28 o   68.189   16.010   12.156   7.1655   18.500   10.469   6.5662   9.8282   79.148   23.066   57.229   22.210 21.91863 32.02095 
1 1 1  -13   24   29 o  126.813   11.338   43.893   7.5898   59.353   11.649   32.488   10.005  146.092   14.756  107.534   17.218 38.55801 22.67592 
1 1 1  -13   24   30 o   82.424   15.839   19.981   7.2010   23.289   10.994   17.495   9.5298   88.040   22.895   76.807   21.895 11.23360 31.67899 
1 1 1  -13   24   31 o  128.448   10.881   45.972   7.5175   52.458   10.954   40.198   10.335  137.151   14.781  119.746   15.973 17.40510 21.76231 
1 1 1  -13   24   32 o  150.458   9.6704   63.601   7.7690   53.853   11.161   72.764   10.821  138.761   14.885  162.156   12.349 -23.39485 19.34082 
1 1 1  -13   24   33 o   98.796   14.125   29.069   7.3738   24.125   10.710   33.525   10.168   89.031   22.307  108.561   17.332 -19.53022 28.24911 
1 1 1  -13   24   34 o  190.249   8.0264   99.779   8.2199  104.040   12.266   96.305   11.075  193.778   11.714  186.719   10.976 7.059113 16.05289 
1 1 1  -13   24   35 o   49.472   14.816   1.9012   6.8401   0.9861   10.178   2.6549   9.2374   49.393   21.213   49.551   20.689 -0.1579323 29.63149 
1 1 1  -13   24   36 o  149.378   12.865   62.435   10.385   0.0000   0.0000   62.435   10.385  ?   ?   149.378   12.865      ?      ? 
1 1 1  -13   24   37 o  224.870   10.574  140.031   12.849   0.0000   0.0000  140.031   12.849  ?   ?   224.870   10.574      ?      ? 
1 1 1  -13   24   38 o  118.702   12.742   41.971   7.8026   33.865   11.238   49.516   10.842  105.548   20.442  131.856   15.217 -26.30848 25.48407 
1 1 1  -13   24   39 o   84.560   15.801   22.519   7.3177   22.773   10.707   22.297   10.025   84.793   22.851   84.327   21.829 0.4655991 31.60186 
1 1 1  -13   24   40 o  166.747   8.8702   78.634   7.9531   74.224   11.611   82.532   10.916  161.918   13.270  171.575   11.774 -9.657532 17.74042 
1 1 1  -13   24   41 o   66.216   15.395   12.752   7.0106   4.2617   10.171   20.435   9.6762   52.312   21.765   80.120   21.779 -27.80787 30.78997 
1 1 1  -13   24   42 o   63.921   15.894   11.664   6.8810   16.155   10.338   8.0915   9.2202   71.379   23.306   56.463   21.618 14.91618 31.78857 
1 1 1  -13   24   43 o  215.702   7.7763  131.518   8.9773  117.109   13.091  144.307   12.334  203.800   11.887  227.605   10.029 -23.80525 15.55261 
1 1 1  -13   24   44 o   51.560   14.586   3.5396   6.9381  -6.8589   10.434   11.781   9.2892   40.860   19.090   62.260   22.059 -21.39935 29.17223 
1 1 1  -13   24   45 o   66.050   15.968   12.180   7.4242   22.223   11.052   3.9206   10.022   81.285   23.702   50.816   21.405 30.46871 31.93643 
1 1 1  -13   24   46 o   47.550   15.547  -5.2154   8.6115  -9.3628   10.399   3.8378   15.363   38.300   18.241   56.800   25.182 -18.49963 31.09397 
1 1 1  -13   24   47 o   87.017   21.806   30.518   13.407   20.351   19.094   40.405   18.829   74.656   30.305   99.379   31.362 -24.72304 43.61140 
1 1 1  -13   24   48 o   63.817   24.819   12.363   12.292   0.0000   0.0000   12.363   12.292  ?   ?    63.817   24.819      ?      ? 
1 1 1  -13   24   49 o   48.511   16.462 -13.7816   10.579   6.1712   19.875 -21.6689   12.496   61.402   27.815   35.620   17.616 25.78120 32.92378 
1 1 1  -13   24   50 o   83.606   14.148   26.280   7.8101   7.1152   11.483   42.775   10.654   52.310   22.501  114.903   17.158 -62.59300 28.29645 
1 1 1  -13   24   51 o  102.218   14.892   36.163   8.0219   33.081   12.062   38.607   10.741   94.883   23.619  109.553   18.145 -14.66987 29.78411 
1 1 1  -13   24   52 o  158.801   10.156   78.349   8.6375   77.765   13.014   78.809   11.548  156.786   15.361  160.816   13.288 -4.029587 20.31112 
1 1 1  -13   25    1 f  393.790   10.612  432.452   19.115  410.586   38.888  439.418   21.949  385.596   18.663  401.985   10.105 -16.38867 21.22329 
1 1 1  -13   25    2 o  208.042   12.615  131.433   11.824  144.506   13.846   96.216   22.726  230.366   11.123  185.717   22.645 44.64870 25.22950 
1 1 1  -13   25    3 o  144.161   18.429   70.788   10.712   78.377   12.049   42.185   23.392  169.391   13.164  118.932   34.426 50.45927 36.85734 
1 1 1  -13   25    4 o  167.791   9.3500   76.927   8.4748   77.533   11.866   76.296   12.108  168.492   13.033  167.090   13.410 1.401535 18.69996 
1 1 1  -13   25    5 o  111.368   13.481   34.905   7.9019   38.262   11.135   31.499   11.216  117.856   17.484  104.879   20.525 12.97696 26.96237 
1 1 1  -13   25    6 o  127.988   11.118   44.693   7.6662   40.945   10.395   49.163   11.351  122.136   15.751  133.840   15.695 -11.70359 22.23562 
1 1 1  -13   25    8 o   78.863   21.722   10.047   10.287   20.268   25.968   8.1451   11.203   94.851   36.288   62.874   23.887 31.97676 43.44456 
1 1 1  -13   25    9 o  214.563   15.408  129.732   17.623  110.518   25.614  147.005   24.286  198.658   23.861  230.467   19.501 -31.80840 30.81572 
1 1 1  -13   25   10 o  105.401   23.803   31.536   14.988   34.820   24.247   29.504   19.068  109.731   35.687  101.072   31.508 8.659126 47.60578 
1 1 1  -13   25   11 o  255.354   13.087  176.027   17.621  198.626   28.857  162.590   22.252  267.671   19.951  243.038   16.944 24.63351 26.17484 
1 1 1  -13   25   12 o  311.366   15.992  266.441   26.908   0.0000   0.0000  266.441   26.908  ?   ?   311.366   15.992      ?      ? 
1 1 1  -13   25   13 o  212.002   8.1308  122.002   9.2927  133.418   13.654  112.152   12.683  221.212   11.423  202.792   11.574 18.41939 16.26161 
1 1 1  -13   25   14 o  167.045   9.5897   76.411   8.6540   76.252   12.372   76.563   12.110  166.848   13.722  167.241   13.400 -0.3926239 19.17946 
1 1 1  -13   25   16 o  115.885   13.344   37.848   8.1654   40.532   11.598   35.209   11.498  120.935   17.747  110.834   19.932 10.10167 26.68769 
1 1 1  -13   25   17 o  336.917   9.6750  309.174   17.614   0.0000   0.0000  309.174   17.614  ?   ?   336.917   9.6750      ?      ? 
1 1 1  -13   25   18 o   49.801   15.080  -1.7821   7.6562   5.3177   10.551  -9.6769   11.126   57.154   22.759   42.448   19.792 14.70607 30.16100 
1 1 1  -13   25   19 o  108.769   14.026   34.066   7.9397   33.721   11.237   34.409   11.220  108.170   19.960  109.368   19.710 -1.198837 28.05149 
1 1 1  -13   25   20 f  158.851   9.7322   69.371   8.3506   66.915   11.636   71.978   11.991  155.946   13.809  161.757   13.718 -5.810944 19.46445 
1 1 1  -13   25   21 o  147.312   9.9985   59.920   7.9418   63.384   11.122   56.315   11.344  151.781   13.561  142.843   14.697 8.937897 19.99706 
1 1 1  -13   25   22 o   92.937   15.426   25.447   7.6165   26.870   10.572   23.910   10.982   95.852   20.993   90.022   22.608 5.830727 30.85140 
1 1 1  -13   25   23 o   73.285   15.245   14.353   7.3146   25.390   10.299   3.1179   10.391   93.019   20.988   53.552   22.116 39.46639 30.48972 
1 1 1  -13   25   24 o   57.729   15.763   5.5101   7.2918   11.748   10.517  -0.2644   10.119   66.806   23.492   48.652   21.024 18.15393 31.52594 
1 1 1  -13   25   25 o   55.881   15.167   3.5505   7.2163   13.276   10.204  -6.1803   10.207   69.060   23.178   42.703   19.569 26.35785 30.33367 
1 1 1  -13   25   26 o  189.205   8.4128   99.191   8.5444   88.913   12.318  108.723   11.862  179.449   12.703  198.961   11.033 -19.51233 16.82563 
1 1 1  -13   25   27 o   73.751   16.039   14.925   7.4158   23.484   10.929   7.6202   10.096   88.420   22.744   59.083   22.621 29.33677 32.07796 
1 1 1  -13   25   28 o  152.176   9.6765   63.126   7.8643   78.406   11.981   51.560   10.424  168.210   13.181  136.141   14.170 32.06813 19.35291 
1 1 1  -13   25   29 o  177.825   8.7089   88.037   8.2888   82.644   12.368   92.434   11.168  172.516   13.268  183.134   11.285 -10.61806 17.41785 
1 1 1  -13   25   30 f   82.391   15.414   20.216   7.3541   29.580   10.602   11.532   10.210   99.581   20.388   65.201   23.123 34.38057 30.82810 
1 1 1  -13   25   31 o  144.406   10.177   58.707   7.9066   55.271   11.492   61.795   10.895  140.080   15.182  148.733   13.556 -8.653015 20.35356 
1 1 1  -13   25   32 o  190.762   8.2472  101.263   8.4368   97.268   12.579  104.530   11.375  186.992   12.449  194.531   10.821 -7.539719 16.49449 
1 1 1  -13   25   33 o  117.548   11.714   39.750   7.3651   36.593   10.911   42.391   9.9822  112.691   17.919  122.405   15.092 -9.713699 23.42728 
1 1 1  -13   25   34 o   73.449   14.131   14.226   7.2215  -1.8019   10.154   30.631   10.273   45.961   20.419  100.937   19.541 -54.97552 28.26289 
1 1 1  -13   25   35 o  132.086   10.757   49.575   7.6551   54.670   10.986   44.766   10.673  138.925   14.634  125.247   15.770 13.67775 21.51361 
1 1 1  -13   25   36 o   99.579   14.495   29.919   7.6836   38.266   11.198   22.492   10.562  114.566   18.089   84.592   22.654 29.97362 28.98944 
1 1 1  -13   25   37 o  210.472   8.0376  124.159   9.1020  116.826   13.225  130.759   12.546  204.162   11.988  216.782   10.710 -12.62062 16.07512 
1 1 1  -13   25   38 o  101.840   14.037   32.168   7.4919   22.712   10.667   41.374   10.525   84.245   22.852  119.436   16.308 -35.19022 28.07448 
1 1 1  -13   25   39 o  138.016   10.419   54.915   7.7402   52.400   11.266   57.163   10.652  134.576   15.493  141.455   13.936 -6.879318 20.83809 
1 1 1  -13   25   40 o  104.311   14.053   33.819   7.6633   26.227   11.005   40.966   10.678   90.294   22.606  118.328   16.700 -28.03338 28.10522 
1 1 1  -13   25   41 o   93.133   15.085   27.461   7.4193   29.472   10.877   25.712   10.146   96.319   21.449   89.948   21.218 6.371033 30.17083 
1 1 1  -13   25   42 o  186.855   8.8213  100.249   8.8169   87.067   12.703  112.504   12.248  174.078   13.504  199.632   11.354 -25.55437 17.64266 
1 1 1  -13   25   43 o  142.388   10.222   58.983   7.7938   57.998   11.754   59.755   10.412  140.605   15.471  144.171   13.365 -3.566818 20.44382 
1 1 1  -13   25   44 o   61.285   15.828   11.622   7.0924   6.6733   10.574   15.669   9.5624   54.255   22.348   68.314   22.421 -14.05873 31.65634 
1 1 1  -13   25   45 o   54.830   17.208   3.7910   9.4523  -5.1149   19.902   6.3852   10.741   55.673   26.124   53.988   22.406 1.685909 34.41626 
1 1 1  -13   25   46 o  105.339   32.503   45.495   20.350   45.495   20.350   0.0000   0.0000  105.339   32.503  ?   ?       ?      ? 
1 1 1  -13   25   47 o   64.980   25.083   13.869   12.482   0.0000   0.0000   13.869   12.482  ?   ?    64.980   25.083      ?      ? 
1 1 1  -13   25   48 o  123.648   15.130   55.692   9.1410   46.667   15.050   60.967   11.506  107.615   26.140  139.681   15.245 -32.06581 30.26085 
1 1 1  -13   25   49 f   46.696   14.571  -2.8514   7.6992   11.245   11.722 -13.5487   10.211   58.962   23.811   34.431   16.800 24.53152 29.14114 
1 1 1  -13   25   50 o   97.527   15.728   35.102   8.0506   34.966   12.279   35.205   10.662   95.099   23.918   99.955   20.430 -4.856834 31.45516 
1 1 1  -13   26    1 o  111.481   22.310   25.329   10.590   60.676   29.059   19.916   11.372  139.936   37.618   83.026   23.995 56.91007 44.61945 
1 1 1  -13   26    2 o   63.535   18.708   4.7103   10.128 -26.5766   25.156   10.763   11.065   60.505   28.687   66.564   24.020 -6.059097 37.41556 
1 1 1  -13   26    3 o  128.030   17.283   47.003   10.295   46.876   11.970   47.365   20.181  130.281   17.004  125.780   30.095 4.500809 34.56617 
1 1 1  -13   26    4 o  129.429   24.638   52.450   17.791   41.059   27.908   60.248   23.091  117.095   38.297  141.762   31.007 -24.66643 49.27538 
1 1 1  -13   26    5 o   59.198   19.523 -17.0009   15.172 -23.4910   23.957 -12.6554   19.604   59.968   28.301   58.428   26.902 1.540276 39.04657 
1 1 1  -13   26    6 o   95.083   24.184   20.993   16.294   37.162   25.034   9.1081   21.463  111.757   36.257   78.408   32.015 33.34921 48.36865 
1 1 1  -13   26    7 o  183.494   18.828   98.759   17.132   92.050   28.802  102.432   21.312  175.549   31.520  191.439   20.602 -15.88982 37.65606 
1 1 1  -13   26    8 o  266.002   13.808  198.306   19.301  192.320   30.836  202.162   24.748  261.672   21.808  270.332   16.942 -8.659515 27.61507 
1 1 1  -13   26    9 o  300.373   10.197  245.935   16.551   0.0000   0.0000  245.935   16.551  ?   ?   300.373   10.197      ?      ? 
1 1 1  -13   26   10 o  237.956   7.7335  154.167   9.9167  160.054   14.678  149.223   13.451  242.058   11.221  233.853   10.645 8.205612 15.46706 
1 1 1  -13   26   11 o  191.579   8.7132  100.649   9.0015   93.244   12.726  108.062   12.734  184.423   12.770  198.735   11.857 -14.31244 17.42645 
1 1 1  -13   26   12 o  127.933   11.842   45.639   8.0799   37.099   11.349   54.417   11.506  115.430   18.195  140.436   15.162 -25.00654 23.68406 
1 1 1  -13   26   15 o  316.882   10.049  273.981   17.207   0.0000   0.0000  273.981   17.207  ?   ?   316.882   10.049      ?      ? 
1 1 1  -13   26   16 o  127.238   11.696   44.937   8.0339   47.529   11.448   42.422   11.277  130.925   16.182  123.550   16.891 7.375023 23.39154 
1 1 1  -13   26   17 o  123.258   17.053   42.279   11.358   0.0000   0.0000   42.279   11.358  ?   ?   123.258   17.053      ?      ? 
1 1 1  -13   26   19 o  300.047   7.1199  245.443   11.513  221.389   15.896  271.980   16.697  284.530   10.339  315.564   9.7915 -31.03366 14.23972 
1 1 1  -13   26   20 o   44.215   13.997  -6.1220   7.3686   2.0143   9.9007 -16.2248   11.032   50.923   21.353   37.507   18.103 13.41570 27.99379 
1 1 1  -13   26   21 o  127.067   11.558   45.029   7.8280   55.489   11.437   35.810   10.737  141.261   14.983  112.873   17.604 28.38867 23.11682 
1 1 1  -13   26   22 o  206.210   8.1283  117.048   9.0375  115.285   13.164  118.620   12.430  204.608   11.906  207.813   11.069 -3.204544 16.25653 
1 1 1  -13   26   23 o  129.533   10.924   46.791   7.6180   46.219   10.314   47.478   11.301  128.830   14.815  130.235   16.058 -1.404877 21.84825 
1 1 1  -13   26   24 o  157.661   9.5724   68.758   8.1422   72.255   11.934   65.712   11.137  161.357   13.687  153.966   13.386 7.391571 19.14471 
1 1 1  -13   26   25 o  199.014   8.1304  109.031   8.7384  113.489   12.610  104.912   12.121  202.923   11.500  195.105   11.497 7.817734 16.26079 
1 1 1  -13   26   26 o  105.100   14.224   33.450   7.7927   47.943   11.048   19.101   10.993  130.626   15.652   79.573   23.755 51.05292 28.44796 
1 1 1  -13   26   27 o  175.761   9.0602   86.203   8.5611   76.962   12.165   95.270   12.050  166.098   13.554  185.423   12.026 -19.32471 18.12032 
1 1 1  -13   26   28 o  161.165   9.6084   73.562   8.2360   61.095   11.919   84.954   11.394  147.347   14.970  174.984   12.050 -27.63708 19.21680 
1 1 1  -13   26   29 o  199.152   8.2188  109.501   8.8178  115.265   13.100  104.726   11.924  203.807   11.895  194.498   11.345 9.309616 16.43759 
1 1 1  -13   26   30 o  165.678   9.5699   76.219   8.4462   95.727   12.569   60.157   11.405  185.247   12.556  146.110   14.445 39.13731 19.13972 
1 1 1  -13   26   31 o   69.184   16.484   13.885   7.4343   18.047   10.668   9.9556   10.366   76.421   23.525   61.947   23.097 14.47369 32.96811 
1 1 1  -13   26   32 o  165.091   9.6235   75.539   8.4865   93.573   12.813   61.444   11.328  182.682   12.979  147.500   14.212 35.18152 19.24702 
1 1 1  -13   26   33 o  114.169   12.570   37.393   7.4922   46.604   11.520   30.641   9.8633  127.202   16.759  101.135   18.738 26.06727 25.13946 
1 1 1  -13   26   34 o   49.869   14.951   2.1037   6.9870   4.6384   10.391   0.0118   9.4398   53.668   22.136   46.070   20.104 7.597980 29.90224 
1 1 1  -13   26   35 o   75.043   16.160   17.817   7.1667   16.241   10.426   19.228   9.8675   72.099   23.399   77.987   22.296 -5.888428 32.32093 
1 1 1  -13   26   36 o  106.884   13.748   35.322   7.6026   25.923   10.876   44.304   10.632   90.100   22.427  123.668   15.909 -33.56864 27.49659 
1 1 1  -13   26   37 o   55.552   14.743   3.8577   7.2816 -10.1724   10.579   16.490   10.038   39.091   18.554   72.013   22.917 -32.92166 29.48626 
1 1 1  -13   26   38 o   74.988   13.915   16.284   7.2738  -1.5302   10.484   32.817   10.100   46.178   20.617  103.799   18.695 -57.62119 27.83055 
1 1 1  -13   26   39 o  103.760   13.614   32.507   7.3941   42.283   11.104   24.719   9.9112  119.506   17.195   88.014   21.111 31.49242 27.22741 
1 1 1  -13   26   40 o   84.823   16.247   23.652   7.7858   30.313   11.340   17.713   10.709   96.431   22.219   73.216   23.709 23.21504 32.49369 
1 1 1  -13   26   41 o   63.854   15.871   11.694   7.4836   2.7486   10.864   19.773   10.324   50.698   21.846   77.009   23.027 -26.31090 31.74134 
1 1 1  -13   26   42 f  112.532   13.379   39.924   7.9416   38.180   11.397   41.569   11.072  108.657   20.153  116.407   17.602 -7.749924 26.75801 
1 1 1  -13   26   43 o   58.446   17.850   7.0878   9.3635   1.9113   20.122   8.5185   10.579   60.170   27.538   56.721   22.720 3.449108 35.70066 
1 1 1  -13   26   44 o   45.893   15.579 -12.2403   10.716 -24.0541   19.702  -7.2770   12.771   47.115   23.063   44.672   20.950 2.443001 31.15809 
1 1 1  -13   26   45 o   60.553   27.247   5.0901   18.703   5.0901   18.703   0.0000   0.0000   60.553   27.247  ?   ?       ?      ? 
1 1 1  -13   26   46 o   56.871   15.242 -10.1865   8.4876   32.613   14.232 -33.8118   10.574   86.833   27.246   26.909   13.674 59.92436 30.48477 
1 1 1  -13   26   47 o   51.861   15.674   5.5727   8.0555  -0.9552   12.886   9.7605   10.321   47.572   21.869   56.151   22.460 -8.578686 31.34790 
1 1 1  -13   26   48 o   87.608   16.220   28.873   7.7622   29.547   11.255   28.261   10.719   88.212   23.275   87.005   22.597 1.206612 32.43999 
1 1 1  -13   27    1 o  179.059   20.152   99.535   17.820   74.167   27.980  116.847   23.114  154.515   34.396  203.602   21.009 -49.08716 40.30477 
1 1 1  -13   27    2 o   91.620   24.050   21.546   16.494   5.8829   27.509   30.338   20.610   82.243   35.085  100.997   32.904 -18.75365 48.10044 
1 1 1  -13   27    3 o  113.117   25.527   40.181   18.220   25.338   29.421   49.414   23.206  100.072   38.542  126.161   33.483 -26.08868 51.05490 
1 1 1  -13   27    4 o  171.442   15.702   89.122   11.479   93.605   13.158   74.842   23.485  184.556   13.194  158.328   28.498 26.22757 31.40378 
1 1 1  -13   27    5 o  108.998   18.084   36.161   9.1005   37.520   10.227   30.991   19.949  116.328   16.269  101.669   32.302 14.65977 36.16735 
1 1 1  -13   27    6 o  171.033   9.1569   80.649   8.4209   71.925   11.956   89.237   11.862  161.656   13.687  180.410   12.168 -18.75444 18.31382 
1 1 1  -13   27    7 o   43.593   14.061  -8.1983   7.5820 -15.2232   10.555  -0.7092   10.898   37.047   17.837   50.139   21.742 -13.09223 28.12236 
1 1 1  -13   27    8 o   79.426   15.267   18.451   7.4315   28.334   10.119   6.8794   10.949   98.912   19.625   59.941   23.393 38.97082 30.53483 
1 1 1  -13   27    9 o  251.842   10.383  173.266   14.130   0.0000   0.0000  173.266   14.130  ?   ?   251.842   10.383      ?      ? 
1 1 1  -13   27   10 o  131.705   11.447   47.708   7.8887   33.189   10.594   65.779   11.819  108.997   17.987  154.413   14.165 -45.41685 22.89447 
1 1 1  -13   27   11 o  179.161   9.1306   88.353   8.8277   89.868   12.238   86.710   12.746  180.857   12.522  177.465   13.292 3.392578 18.26120 
1 1 1  -13   27   12 o   93.788   14.118   25.306   7.3886   10.934   10.116   41.741   10.818   65.090   23.024  122.487   16.344 -57.39770 28.23514 
1 1 1  -13   27   13 o   74.169   15.124   13.790   7.7889  -1.6226   11.103   28.726   10.930   49.432   21.680   98.906   21.094 -49.47432 30.24862 
1 1 1  -13   27   14 o  185.081   9.0894   94.723   9.0269   81.588   12.701  108.132   12.832  171.830   13.679  198.332   11.974 -26.50253 18.17874 
1 1 1  -13   27   15 o   99.313   14.651   28.861   7.5956   26.452   10.337   31.689   11.198   94.715   20.770  103.911   20.670 -9.196571 29.30246 
1 1 1  -13   27   16 o  183.976   8.8477   93.291   8.7894   98.432   12.579   88.386   12.286  188.984   12.318  178.969   12.704 10.01563 17.69548 
1 1 1  -13   27   18 o   42.993   13.959  -6.7948   7.4255  -9.4054   10.379  -4.0569   10.628   40.368   18.917   45.619   20.532 -5.251282 27.91833 
1 1 1  -13   27   19 o   56.049   15.887   5.2513   7.3406   3.8345   10.380   6.6689   10.383   54.046   22.187   58.052   22.745 -4.006516 31.77481 
1 1 1  -13   27   20 o  207.966   8.1040  119.116   9.1069  119.927   12.892  118.309   12.867  208.682   11.432  207.249   11.489 1.432190 16.20798 
1 1 1  -13   27   21 o  113.867   12.876   37.296   7.6914   32.195   10.732   42.683   11.028  104.625   19.706  123.109   16.578 -18.48425 25.75177 
1 1 1  -13   27   22 o  143.394   10.323   57.528   7.9684   63.945   11.386   51.369   11.156  151.458   13.912  135.330   15.255 16.12787 20.64600 
1 1 1  -13   27   23 o   62.155   15.226   7.4345   7.3817  -4.8160   10.479   19.501   10.400   44.195   20.089   80.116   22.885 -35.92114 30.45165 
1 1 1  -13   27   24 o   51.609   15.087   0.9805   7.3792   9.1624   10.413  -7.2740   10.459   61.301   23.091   41.918   19.423 19.38303 30.17372 
1 1 1  -13   27   25 o  125.524   11.886   44.827   8.0612   45.295   11.510   44.377   11.293  126.138   16.887  124.910   16.732 1.227676 23.77214 
1 1 1  -13   27   26 o  101.942   14.081   31.446   7.6469   50.180   11.139   14.750   10.516  133.171   15.480   70.713   23.527 62.45818 28.16268 
1 1 1  -13   27   27 o  115.234   13.028   39.044   7.8831   36.440   11.476   41.370   10.847  110.231   20.003  120.236   16.695 -10.00473 26.05503 
1 1 1  -13   27   28 o   67.263   16.370   13.113   7.2594   10.839   10.358   15.310   10.178   63.357   23.182   71.169   23.120 -7.812237 32.74031 
1 1 1  -13   27   29 o  103.035   13.971   31.736   7.5639   40.295   10.949   23.921   10.462  118.278   17.130   87.792   22.076 30.48612 27.94250 
1 1 1  -13   27   30 f   71.795   14.079   12.936   7.4711  -5.8646   10.755   30.468   10.386   43.345   19.946  100.244   19.876 -56.89883 28.15796 
1 1 1  -13   27   31 o  121.988   11.769   43.059   7.7292   38.766   10.865   47.457   10.998  115.447   17.417  128.529   15.835 -13.08249 23.53885 
1 1 1  -13   27   32 o  202.267   7.9567  114.357   8.6887  110.840   12.415  117.733   12.164  199.044   11.542  205.490   10.955 -6.445282 15.91349 
1 1 1  -13   27   33 o   81.101   16.154   21.007   7.4008   23.400   10.668   18.787   10.276   85.484   22.709   76.718   22.981 8.765800 32.30869 
1 1 1  -13   27   34 o   81.138   16.046   21.143   7.3319   23.688   10.581   18.793   10.169   85.802   22.532   76.475   22.851 9.327316 32.09150 
1 1 1  -13   27   35 o   75.332   16.331   18.156   7.3008   20.377   10.529   16.099   10.132   79.375   23.132   71.289   23.060 8.086098 32.66264 
1 1 1  -13   27   36 o   59.320   16.166   8.8684   7.4136   5.8096   10.372   12.064   10.601   54.494   22.253   64.147   23.456 -9.653435 32.33202 
1 1 1  -13   27   37 o   62.327   15.830   10.270   7.4562   1.5699   10.608   18.764   10.482   49.218   21.397   75.437   23.336 -26.21876 31.66052 
1 1 1  -13   27   38 o   67.069   16.509   14.219   7.4019   11.710   10.509   16.689   10.427   62.758   23.284   71.380   23.412 -8.622040 33.01895 
1 1 1  -13   27   39 o   61.483   16.485   10.620   7.6547   15.505   11.297   6.4737   10.408   68.611   24.324   54.355   22.255 14.25597 32.96920 
1 1 1  -13   27   40 o   67.154   16.516   14.516   7.7061   7.8775   10.608   21.934   11.214   55.631   22.586   78.678   24.103 -23.04705 33.03177 
1 1 1  -13   27   41 o   58.548   18.973  -0.6480   12.322   10.930   22.486  -5.6171   14.731   68.218   30.343   48.878   22.785 19.33908 37.94551 
1 1 1  -13   27   42 o  117.393   19.961   45.974   11.859   67.050   21.391   36.622   14.250  133.158   30.398  101.629   25.879 31.52909 39.92166 
1 1 1  -13   27   43 o   45.425   15.796 -24.5156   11.031   1.3761   20.128 -35.6306   13.188   58.786   27.135   32.064   16.176 26.72260 31.59115 
1 1 1  -13   27   44 o   56.626   17.174   10.080   9.3618   11.580   11.687   7.3941   15.640   57.757   23.608   55.494   24.948 2.263519 34.34732 
1 1 1  -13   27   45 o   43.365   14.333  -4.5413   8.3959 -11.0496   13.584  -0.5181   10.680   42.024   20.233   44.707   20.306 -2.683083 28.66581 
1 1 1  -13   27   46 o   79.638   17.016   22.457   8.0195   38.108   13.526   13.973   9.9588   97.882   25.365   61.393   22.688 36.48880 34.03165 
1 1 1  -13   28    1 o  182.647   8.8924   92.044   8.7417   92.790   11.878   91.163   12.912  183.627   11.971  181.668   13.153 1.959106 17.78471 
1 1 1  -13   28    2 o  110.651   13.687   34.893   7.9916   31.471   10.808   39.021   11.870  103.748   20.004  117.554   18.686 -13.80594 27.37393 
1 1 1  -13   28    3 o  148.948   18.741   54.016   10.536   86.689   29.342   49.180   11.288  165.091   34.023  132.805   15.730 32.28645 37.48296 
1 1 1  -13   28    4 o   82.107   22.299   4.2985   9.9975   43.198   29.112  -0.9026   10.645  115.213   39.146   49.001   21.366 66.21187 44.59775 
1 1 1  -13   28    5 o  241.804   10.816  165.260   12.451  168.222   14.606  157.387   23.816  247.595   10.917  236.013   18.674 11.58128 21.63104 
1 1 1  -13   28    6 o  163.207   16.496   90.697   11.104  103.876   12.985   54.820   21.425  194.118   12.379  132.296   30.581 61.82176 32.99176 
1 1 1  -13   28    7 o  169.898   9.4797   79.876   8.7015   78.546   12.340   81.192   12.272  168.446   13.557  171.350   13.254 -2.904083 18.95941 
1 1 1  -13   28    8 o  142.636   10.404   56.474   8.0116   53.850   11.059   59.373   11.623  139.157   14.706  146.115   14.721 -6.957825 20.80790 
1 1 1  -13   28    9 o   43.927   13.993  -4.2649   7.0060  -6.2870   9.6011  -1.9620   10.246   40.990   18.856   46.865   20.681 -5.875668 27.98654 
1 1 1  -13   28   10 o  105.405   14.682   32.727   8.0616   29.343   11.267   36.277   11.540   99.366   21.600  111.444   19.892 -12.07802 29.36396 
1 1 1  -13   28   11 o  300.223   7.2188  247.366   11.697  237.519   16.712  256.821   16.376  294.230   10.512  306.216   9.8970 -11.98654 14.43754 
1 1 1  -13   28   12 o  124.211   12.109   43.446   8.1225   44.236   11.362   42.620   11.616  125.472   16.758  122.950   17.484 2.522179 24.21831 
1 1 1  -13   28   13 o  214.840   8.2569  127.199   9.5545  140.783   13.671  114.229   13.358  226.227   11.184  203.452   12.151 22.77527 16.51390 
1 1 1  -13   28   14 o   97.449   15.496   28.428   7.9636   29.508   11.250   27.343   11.275   99.467   21.554   95.431   22.270 4.035927 30.99219 
1 1 1  -13   28   15 o  131.392   12.309   51.204   8.0454   66.606   11.139   34.405   11.633  154.931   13.305  107.854   20.713 47.07747 24.61827 
1 1 1  -13   28   16 o  286.172   10.276  224.973   15.891   0.0000   0.0000  224.973   15.891  ?   ?   286.172   10.276      ?      ? 
1 1 1  -13   28   17 o  213.089   11.665  125.467   13.431   0.0000   0.0000  125.467   13.431  ?   ?   213.089   11.665      ?      ? 
1 1 1  -13   28   18 o  121.400   18.105   42.112   11.877   0.0000   0.0000   42.112   11.877  ?   ?   121.400   18.105      ?      ? 
1 1 1  -13   28   19 o  199.757   8.4341  110.534   9.0974  104.860   12.700  116.515   13.039  194.427   12.088  205.088   11.765 -10.66071 16.86814 
1 1 1  -13   28   20 o  178.155   9.1574   88.279   8.8054   94.421   12.722   82.632   12.200  184.161   12.784  172.148   13.115 12.01321 18.31481 
1 1 1  -13   28   21 o  121.171   12.557   42.922   7.9042   49.713   11.035   35.768   11.327  132.679   15.392  109.663   19.845 23.01533 25.11436 
1 1 1  -13   28   22 o   58.474   14.593   2.8529   7.1857 -11.1616   9.7248   19.707   10.664   36.963   17.614   79.985   23.272 -43.02158 29.18574 
1 1 1  -13   28   23 o   83.914   16.265   21.730   7.6333   25.477   11.130   18.403   10.489   90.580   22.765   77.248   23.236 13.33253 32.52969 
1 1 1  -13   28   24 o  122.181   13.037   44.238   8.2717   36.974   11.867   51.102   11.536  110.548   20.624  133.814   15.954 -23.26581 26.07471 
1 1 1  -13   28   25 o   96.504   14.671   28.112   7.6835   17.729   10.571   39.743   11.188   75.746   23.435  117.262   17.656 -41.51585 29.34162 
1 1 1  -13   28   26 o  103.251   14.776   32.331   8.0923   27.091   11.426   37.604   11.462   93.009   22.890  113.493   18.690 -20.48499 29.55121 
1 1 1  -13   28   27 o  107.064   14.302   34.756   8.0526   29.428   11.462   39.948   11.315   97.021   22.327  117.106   17.881 -20.08521 28.60474 
1 1 1  -13   28   28 o   58.126   16.225   7.5956   7.5356   8.6770   10.649   6.5111   10.664   59.678   23.131   56.573   22.759 3.104115 32.45019 
1 1 1  -13   28   29 o   61.350   16.460   9.9176   7.5231   8.8985   11.056   10.796   10.267   60.289   23.512   62.412   23.042 -2.123352 32.92048 
1 1 1  -13   28   30 o   77.789   16.680   19.596   7.9302   13.200   11.705   25.022   10.782   67.100   24.630   88.478   22.500 -21.37806 33.36004 
1 1 1  -13   28   31 o   71.751   16.764   16.303   7.6822   12.740   11.125   19.551   10.621   65.755   24.031   77.747   23.381 -11.99273 33.52845 
1 1 1  -13   28   32 o   64.136   16.596   11.901   7.5286   13.441   10.685   10.383   10.609   66.661   23.654   61.611   23.284 5.050045 33.19152 
1 1 1  -13   28   33 o   59.337   15.806   8.1455   7.4556   0.2865   10.676   15.626   10.416   48.372   21.237   70.302   23.416 -21.92976 31.61163 
1 1 1  -13   28   34 o   77.984   16.615   19.842   7.6923   24.917   11.233   15.361   10.556   86.713   23.422   69.256   23.572 17.45712 33.22974 
1 1 1  -13   28   35 o  104.589   14.182   34.032   7.8000   43.001   11.410   26.164   10.687  119.782   17.628   89.396   22.220 30.38659 28.36337 
1 1 1  -13   28   36 o   43.908   14.139  -3.3623   7.4211  -5.9057   10.479  -0.8035   10.511   41.563   19.322   46.253   20.647 -4.689396 28.27794 
1 1 1  -13   28   37 o  103.865   14.648   35.905   8.1225   19.641   11.319   53.167   11.662   74.809   24.386  132.921   16.236 -58.11215 29.29671 
1 1 1  -13   28   38 o   40.753   13.538  -9.2520   7.9539 -19.6467   11.838  -0.6988   10.739   35.506   17.480   46.001   20.677 -10.49572 27.07581 
1 1 1  -13   28   39 o   56.282   17.842  -3.3815   12.863 -37.4775   22.703   12.736   15.609   46.510   23.128   66.054   27.174 -19.54367 35.68388 
1 1 1  -13   28   40 o  105.464   18.371   46.224   13.355   8.2680   22.509   66.847   16.591   66.656   29.951  144.272   21.282 -77.61584 36.74223 
1 1 1  -13   28   41 o   73.375   19.577   22.662   11.962   5.1892   21.741   30.248   14.325   60.426   28.001   86.324   27.366 -25.89880 39.15312 
1 1 1  -13   28   42 o   60.969   14.895   8.5000   7.6236   27.488   11.235  -7.7046   10.379   84.171   23.697   37.767   18.052 46.40416 29.78913 
1 1 1  -13   28   43 f   40.719   13.997 -12.5953   9.1576 -12.3483   11.274 -13.0743   15.701   37.261   18.060   44.178   21.389 -6.916603 27.99355 
1 1 1  -13   28   44 o   56.575   16.094   8.0825   8.1738   20.770   12.305  -1.9379   10.935   70.317   25.337   42.833   19.852 27.48410 32.18816 
1 1 1  -13   29    1 o   54.092   15.324   4.4770   6.6760   2.3980   8.5073   7.8095   10.771   48.024   19.937   60.161   23.278 -12.13662 30.64864 
1 1 1  -13   29    2 o  100.739   13.802   30.155   7.2792   37.498   10.131   22.319   10.466  115.459   16.238   86.020   22.323 29.43881 27.60395 
1 1 1  -13   29    3 o  194.917   12.050  104.981   12.692   0.0000   0.0000  104.981   12.692  ?   ?   194.917   12.050      ?      ? 
1 1 1  -13   29    4 o   99.951   21.131   31.900   10.558   24.797   27.090   33.172   11.465   94.179   36.784  105.723   20.809 -11.54398 42.26218 
1 1 1  -13   29    5 o   97.956   20.981   31.603   10.328   17.137   29.289   33.658   11.037   89.016   36.976  106.895   19.838 -17.87953 41.96182 
1 1 1  -13   29    6 o  171.902   13.835   82.773   10.874   81.041   12.401   88.536   22.618  170.730   13.442  173.073   24.185 -2.342926 27.66927 
1 1 1  -13   29    7 o   59.090   18.223   0.3775   8.7058  -1.3145   9.6639   7.6644   20.055   45.930   20.184   72.250   30.347 -26.32012 36.44630 
1 1 1  -13   29    8 o  201.748   8.4122  112.340   9.1588  108.294   12.566  116.925   13.377  197.938   11.749  205.558   12.043 -7.619797 16.82435 
1 1 1  -13   29    9 o   91.420   15.217   25.316   7.3768   26.411   9.9788   23.997   10.954   94.076   20.231   88.764   22.737 5.311432 30.43408 
1 1 1  -13   29   10 o  155.438   10.207   67.853   8.5240   76.199   12.086   59.593   12.024  165.309   13.530  145.566   15.286 19.74240 20.41358 
1 1 1  -13   29   11 o  115.195   18.777   38.120   11.688   0.0000   0.0000   38.120   11.688  ?   ?   115.195   18.777      ?      ? 
1 1 1  -13   29   12 o   77.897   13.031   16.359   7.5556   36.022   10.117  -8.4407   11.362  112.656   16.619   43.139   20.076 69.51689 26.06190 
1 1 1  -13   29   13 o  149.956   10.413   63.213   8.4247   63.512   11.620   62.882   12.232  150.499   14.289  149.413   15.150 1.085815 20.82541 
1 1 1  -13   29   14 f   84.244   15.233   20.638   7.2680   11.973   9.6668   31.904   11.023   65.283   22.547  103.206   20.489 -37.92370 30.46558 
1 1 1  -13   29   15 o  108.542   13.807   34.950   7.7980   34.666   10.875   35.252   11.187  108.178   19.313  108.906   19.737 -0.7270508 27.61399 
1 1 1  -13   29   16 o  120.889   12.314   42.003   7.9958   46.583   11.241   37.313   11.375  128.027   16.249  113.751   18.507 14.27533 24.62752 
1 1 1  -13   29   17 o  157.850   9.8304   70.289   8.3396   73.880   11.426   66.194   12.201  162.560   13.007  153.141   14.743 9.419601 19.66090 
1 1 1  -13   29   18 o  130.325   11.537   48.489   8.1216   47.667   11.302   49.367   11.678  129.239   16.184  131.410   16.446 -2.170563 23.07361 
1 1 1  -13   29   19 o  145.220   10.544   59.770   8.2723   61.427   11.758   58.146   11.640  147.275   14.775  143.165   15.046 4.109192 21.08779 
1 1 1  -13   29   20 o   61.124   16.294   9.3705   7.3724   11.240   10.452   7.5196   10.400   64.092   23.313   58.155   22.770 5.936840 32.58793 
1 1 1  -13   29   21 o   88.118   16.177   24.343   7.7794   25.675   10.780   22.896   11.237   90.930   22.146   85.305   23.587 5.624641 32.35432 
1 1 1  -13   29   22 o   90.571   15.503   26.116   7.6771   32.776   10.474   18.384   11.286  104.405   19.275   76.737   24.287 27.66856 31.00621 
1 1 1  -13   29   23 o  110.837   14.036   38.188   7.9538   49.408   10.996   25.876   11.519  131.393   15.487   90.280   23.414 41.11336 28.07263 
1 1 1  -13   29   24 o  163.929   10.106   76.415   8.9472   79.758   12.757   73.179   12.552  167.573   14.089  160.286   14.492 7.286850 20.21131 
1 1 1  -13   29   25 o   61.579   16.398   10.010   7.5078   12.451   10.381   7.3319   10.871   65.313   23.300   57.845   23.080 7.467880 32.79628 
1 1 1  -13   29   26 o  152.259   10.723   66.738   8.7828   65.816   12.977   67.517   11.930  150.815   15.924  153.704   14.364 -2.888657 21.44527 
1 1 1  -13   29   27 o   50.143   15.370   1.0936   7.7824  -2.2000   11.163   4.2080   10.855   46.944   21.094   53.342   22.362 -6.398285 30.74086 
1 1 1  -13   29   28 o   46.613   14.665  -3.0093   7.7496 -10.2614   11.018   4.0902   10.902   40.029   18.981   53.196   22.361 -13.16699 29.33071 
1 1 1  -13   29   29 f  116.434   13.877   40.953   8.2540   57.806   12.306   27.173   11.128  140.902   16.163   91.967   22.563 48.93513 27.75462 
1 1 1  -13   29   30 o   96.966   15.906   30.157   8.1805   33.819   11.908   26.883   11.258  102.951   22.068   90.980   22.912 11.97173 31.81120 
1 1 1  -13   29   31 o  112.646   13.842   39.726   8.0454   49.082   11.306   30.127   11.452  129.132   16.202   96.160   22.447 32.97210 27.68353 
1 1 1  -13   29   32 o   81.900   16.709   22.460   7.8035   22.559   10.970   22.359   11.103   82.144   23.517   81.657   23.742 0.4872589 33.41716 
1 1 1  -13   29   33 o   77.659   17.127   20.439   7.9695   20.997   11.198   19.867   11.344   78.728   24.081   76.590   24.361 2.138596 34.25463 
1 1 1  -13   29   34 o  177.622   9.3937   91.858   8.9610   80.595   12.626  103.287   12.720  165.849   14.089  189.394   12.429 -23.54576 18.78741 
1 1 1  -13   29   35 o  140.235   11.459   59.744   8.5954   67.007   11.988   52.060   12.331  150.325   14.758  130.145   17.534 20.17972 22.91790 
1 1 1  -13   29   36 o   71.588   20.514   11.767   10.229   33.919   22.875   6.2314   11.435   88.304   33.992   54.872   22.975 33.43234 41.02780 
1 1 1  -13   29   37 o   91.479   21.651   26.426   12.756   57.590   22.711   12.063   15.418  117.609   33.887   65.348   26.960 52.26147 43.30265 
1 1 1  -13   29   38 o   63.648   19.353   10.696   12.294   1.4944   20.719   15.696   15.273   59.506   27.490   67.790   27.248 -8.283810 38.70622 
1 1 1  -13   29   39 o   70.264   16.343   17.605   9.7510   35.374   12.683  -8.0833   15.249   95.388   24.482   45.141   21.657 50.24672 32.68671 
1 1 1  -13   29   40 o  159.677   10.431   77.903   8.9977   76.928   12.805   78.853   12.646  158.432   14.957  160.921   14.543 -2.489532 20.86164 
1 1 1  -13   29   41 o   59.270   16.390   11.566   7.7541   16.090   11.190   7.3861   10.755   65.511   24.077   53.030   22.246 12.48140 32.78080 
1 1 1  -13   29   42 o   40.607   14.036 -11.7483   9.3484 -12.8880   11.392  -9.3986   16.358   36.198   17.681   45.017   21.804 -8.819054 28.07134 
1 1 1  -13   30    1 o  118.200   10.763   37.767   6.6329   46.014   11.309   33.443   8.1895  127.180   16.455  109.220   13.876 17.96024 21.52502 
1 1 1  -13   30    2 o  101.410   14.030   30.820   7.4820   36.615   10.408   24.624   10.763  113.257   17.007   89.564   22.319 23.69334 28.06018 
1 1 1  -13   30    3 f   48.403   14.875  -0.6189   7.2461  -3.5745   9.6639   3.1767   10.951   43.246   19.510   53.560   22.458 -10.31471 29.74902 
1 1 1  -13   30    4 o  126.752   17.752   46.100   12.159   0.0000   0.0000   46.100   12.159  ?   ?   126.752   17.752      ?      ? 
1 1 1  -13   30    5 o  131.164   19.993   56.113   10.787   51.802   26.267   56.988   11.831  120.406   36.890  141.922   15.427 -21.51580 39.98550 
1 1 1  -13   30    6 o  101.868   22.545   22.047   10.125   61.554   28.695   16.428   10.822  129.920   38.280   73.816   23.827 56.10459 45.08977 
1 1 1  -13   30    7 o  139.036   15.002   47.635   9.6896   39.791   10.873   77.905   21.359  117.910   17.065  160.162   24.679 -42.25279 30.00452 
1 1 1  -13   30    8 o   85.399   16.747   26.023   9.2506   33.521   10.373  -3.1149   20.448  107.896   17.791   62.901   28.379 44.99546 33.49436 
1 1 1  -13   30    9 o  159.748   14.168   71.879   12.230   0.0000   0.0000   71.879   12.230  ?   ?   159.748   14.168      ?      ? 
1 1 1  -13   30   10 f  210.872   11.493  123.567   13.096   0.0000   0.0000  123.567   13.096  ?   ?   210.872   11.493      ?      ? 
1 1 1  -13   30   11 o   43.938   13.956  -3.6035   7.0461   0.4334   9.6546  -8.2041   10.307   47.370   20.503   40.505   18.940 6.864887 27.91231 
1 1 1  -13   30   12 o   72.820   15.772   16.163   7.2485   22.505   9.7975   8.4935   10.774   85.507   21.287   60.133   23.277 25.37443 31.54321 
1 1 1  -13   30   13 f  121.982   12.468   43.756   7.9076   50.969   11.109   36.350   11.258  133.876   15.357  110.088   19.646 23.78833 24.93575 
1 1 1  -13   30   14 o   95.745   14.893   28.083   7.4753   28.217   10.154   27.924   11.045   96.444   20.134   95.046   21.949 1.398125 29.78514 
1 1 1  -13   30   15 o   41.867   13.699  -6.6395   7.3284  -5.5353   10.291  -7.7756   10.438   42.634   19.579   41.101   19.166 1.533436 27.39791 
1 1 1  -13   30   16 o   74.870   15.431   15.397   7.9667   30.385   11.277   0.4620   11.257   99.219   21.642   50.521   22.002 48.69833 30.86191 
1 1 1  -13   30   17 o  254.905   10.905  180.606   15.021   0.0000   0.0000  180.606   15.021  ?   ?   254.905   10.905      ?      ? 
1 1 1  -13   30   18 o  182.349   9.1277   93.581   8.9932   95.395   12.779   91.802   12.658  184.136   12.843  180.562   12.974 3.573837 18.25548 
1 1 1  -13   30   19 o  144.450   15.381   59.833   12.006   0.0000   0.0000   59.833   12.006  ?   ?   144.450   15.381      ?      ? 
1 1 1  -13   30   20 o   67.235   16.322   12.278   7.4741   5.8759   9.9580   20.537   11.311   54.497   21.968   79.973   24.146 -25.47598 32.64389 
1 1 1  -13   30   21 o   53.187   14.787  -1.2865   7.3970 -14.4509   9.8088   16.071   11.263   34.593   16.785   71.781   24.350 -37.18761 29.57442 
1 1 1  -13   30   22 o  118.050   13.623   42.231   8.3348   33.241   11.618   51.767   11.964  102.851   21.592  133.250   16.616 -30.39931 27.24516 
1 1 1  -13   30   23 o  100.475   14.940   31.435   8.0630   21.087   11.097   43.008   11.735   80.449   23.833  120.500   18.022 -40.05056 29.88033 
1 1 1  -13   30   24 f   92.550   15.672   27.634   7.7692   30.976   10.667   23.857   11.339   99.658   20.492   85.442   23.718 14.21607 31.34451 
1 1 1  -13   30   25 o   78.978   16.447   19.386   8.0007   29.677   11.722   10.411   10.947   95.984   22.917   61.973   23.596 34.01111 32.89333 
1 1 1  -13   30   26 o   98.192   14.844   30.385   7.9803   17.218   11.032   44.838   11.558   73.140   24.086  123.243   17.355 -50.10292 29.68725 
1 1 1  -13   30   27 o   46.949   14.800  -2.0826   7.7081   3.5142   11.383  -6.8224   10.475   52.810   22.550   41.088   19.173 11.72174 29.59908 
1 1 1  -13   30   28 o   74.228   14.216   14.717   7.8748  -6.0400   11.208   34.950   11.066   43.135   20.029  105.320   20.179 -62.18491 28.43213 
1 1 1  -13   30   29 o   72.677   16.544   15.808   8.3394   28.316   12.014   4.1780   11.585   91.763   23.968   53.591   22.813 38.17204 33.08888 
1 1 1  -13   30   30 o   57.315   15.335   3.4036   8.0012   19.913   11.448 -12.3655   11.188   76.236   24.496   38.394   18.455 37.84240 30.66930 
1 1 1  -13   30   31 o   50.282   14.735  -0.7343   7.8322   13.703   10.778 -16.8904   11.401   64.611   23.647   35.953   17.588 28.65865 29.47027 
1 1 1  -13   30   32 o   57.823   16.320   8.7055   7.8500   4.4341   10.998   13.142   11.209   51.855   22.154   63.791   23.971 -11.93644 32.64068 
1 1 1  -13   30   33 o   50.504   15.646   1.5402   8.2849   5.9905   11.761  -2.8439   11.673   55.011   23.180   45.997   21.022 9.014141 31.29278 
1 1 1  -13   30   34 o   61.042   18.933   4.1055   12.952 -15.6937   21.800   14.908   16.102   53.235   25.631   68.848   27.871 -15.61357 37.86526 
1 1 1  -13   30   35 o   59.472   18.873   3.8072   12.267   11.851   19.737  -1.2563   15.659   66.281   28.992   52.664   24.172 13.61700 37.74697 
1 1 1  -13   30   36 o   86.087   20.885   37.279   13.764   17.230   22.200   49.797   17.542   65.640   29.596  106.535   29.476 -40.89459 41.77038 
1 1 1  -13   30   37 o   60.122   16.772   12.647   8.1367   9.1551   11.425   16.241   11.591   55.250   23.034   64.994   24.386 -9.744469 33.54451 
1 1 1  -13   30   38 o   66.638   17.434   16.629   8.3515   18.394   11.800   14.858   11.822   69.340   24.830   63.936   24.478 5.404640 34.86744 
1 1 1  -13   30   39 o   67.446   16.847   17.481   8.1032   25.930   11.776   9.8822   11.168   79.724   24.746   55.168   22.867 24.55559 33.69401 
1 1 1  -13   31    1 o  117.718   11.879   42.498   6.8059   32.703   11.033   48.515   8.6472  103.688   20.418  131.747   12.146 -28.05865 23.75749 
1 1 1  -13   31    2 o  124.730   12.670   44.970   8.5170   41.081   11.618   49.489   12.523  118.844   18.091  130.617   17.743 -11.77278 25.33912 
1 1 1  -13   31    3 o  118.349   16.408   40.230   10.493   40.230   10.493   0.0000   0.0000  118.349   16.408  ?   ?       ?      ? 
1 1 1  -13   31    4 o  111.239   13.809   38.764   7.7261   46.924   10.207   27.818   11.822  128.560   14.693   93.917   23.385 34.64327 27.61827 
1 1 1  -13   31    5 o  189.477   8.8985  101.350   8.9959  119.324   12.733   83.436   12.712  206.996   11.383  171.957   13.680 35.03973 17.79694 
1 1 1  -13   31    6 o  106.071   21.167   37.152   10.572   37.905   26.901   37.015   11.497  101.519   37.328  110.622   19.968 -9.102661 42.33313 
1 1 1  -13   31    7 o   78.569   22.597   13.499   11.228   26.824   30.185   11.359   12.096   91.679   37.760   65.458   24.833 26.22094 45.19397 
1 1 1  -13   31    8 o  156.085   15.716   73.384   10.650   72.716   12.130   75.631   22.250  160.236   14.009  151.933   28.138 8.302185 31.43260 
1 1 1  -13   31    9 o   99.739   18.057   36.300   9.8010   41.642   11.156   18.232   20.517  119.788   17.235   79.690   31.735 40.09846 36.11339 
1 1 1  -13   31   11 o  122.381   12.744   44.702   8.0676   53.108   11.343   36.096   11.477  136.085   15.425  108.676   20.290 27.40862 25.48737 
1 1 1  -13   31   12 o   45.678   14.094  -6.3327   7.1165 -16.6012   9.3137   8.0728   11.031   32.164   15.768   59.192   23.365 -27.02841 28.18824 
1 1 1  -13   31   13 f   51.419   15.221   1.9379   7.4168  -4.3267   10.345   8.5627   10.639   43.490   19.843   59.348   23.087 -15.85753 30.44269 
1 1 1  -13   31   14 o   67.584   16.345   13.051   7.2636   8.6832   9.5841   18.945   11.134   58.206   22.099   76.962   24.090 -18.75616 32.69089 
1 1 1  -13   31   15 o   69.007   16.326   14.470   7.6024   20.266   10.246   7.3689   11.341   79.663   22.700   58.351   23.471 21.31201 32.65247 
1 1 1  -13   31   16 o  127.700   12.145   47.711   8.3615   43.576   11.608   52.171   12.055  121.675   17.655  133.724   16.682 -12.04871 24.28984 
1 1 1  -13   31   17 o   73.636   17.001   17.217   7.9134   21.155   11.177   13.260   11.205   80.580   23.930   66.692   24.156 13.88734 34.00249 
1 1 1  -13   31   18 o   96.978   15.655   30.160   8.0860   36.214   11.444   24.126   11.427  108.067   20.344   85.888   23.799 22.17869 31.30907 
1 1 1  -13   31   19 o   89.391   16.318   25.952   8.0552   31.448   11.417   20.505   11.366   99.580   21.821   79.201   24.267 20.37914 32.63509 
1 1 1  -13   31   20 o   56.066   16.207   5.8633   7.8745   2.7304   11.074   9.0674   11.199   51.894   22.203   60.237   23.617 -8.342644 32.41475 
1 1 1  -13   31   21 o   85.428   16.683   23.866   7.9466   23.795   10.888   23.947   11.624   85.584   23.035   85.273   24.138 0.3111649 33.36533 
1 1 1  -13   31   22 o  114.111   13.417   39.751   8.0304   40.858   10.883   38.427   11.899  117.517   17.137  110.705   20.650 6.812592 26.83483 
1 1 1  -13   31   23 o  110.581   14.563   39.792   8.2760   52.028   11.395   26.133   12.040  133.157   15.837   88.005   24.444 45.15257 29.12618 
1 1 1  -13   31   24 o   44.799   14.569  -5.0489   8.1563  -1.4514   11.600  -8.5669   11.471   47.828   21.495   41.771   19.673 6.056995 29.13899 
1 1 1  -13   31   25 o   49.719   15.340   1.1372   7.8999   4.7531   10.790  -3.0400   11.598   53.084   22.277   46.355   21.095 6.729321 30.68005 
1 1 1  -13   31   26 o  141.111   11.789   59.292   8.9578   66.378   13.069   53.014   12.302  149.422   16.186  132.801   17.143 16.62120 23.57710 
1 1 1  -13   31   27 o   76.025   13.887   14.708   7.9770  -7.6417   10.951   39.975   11.643   40.683   19.179  111.367   20.087 -70.68431 27.77301 
1 1 1  -13   31   28 o   71.969   17.071   17.908   8.3838   9.6785   12.186   25.303   11.552   59.409   24.175   84.529   24.110 -25.11972 34.14251 
1 1 1  -13   31   29 o   56.451   16.529   7.2731   8.2898   4.9826   11.867   9.4562   11.586   53.867   23.013   59.035   23.731 -5.167854 33.05733 
1 1 1  -13   31   30 o  123.764   14.768   52.465   9.2142   19.149   12.816   88.115   13.257   73.896   25.936  173.632   14.130 -99.73658 29.53507 
1 1 1  -13   31   31 o   58.943   19.054   0.4742   13.492   4.8288   20.199  -3.0338   18.130   62.606   28.229   55.280   25.600 7.325935 38.10818 
1 1 1  -13   31   32 o   44.512   15.499 -23.7142   13.040 -21.1779   19.441 -25.7883   17.581   46.634   22.845   42.391   20.951 4.243324 30.99749 
1 1 1  -13   31   33 o   67.883   20.500   16.792   13.057   37.117   21.755   5.3468   16.325   81.132   32.553   54.635   24.927 26.49778 41.00066 
1 1 1  -13   31   34 f   47.378   15.650  -1.9609   9.4138  -1.5787   11.469  -2.7500   16.481   44.614   20.554   50.143   23.605 -5.528919 31.30014 
1 1 1  -13   31   35 f   47.320   14.667  -2.1029   8.1697   11.236   11.178 -17.3967   11.969   58.672   23.406   35.967   17.682 22.70528 29.33397 
1 1 1  -13   31   36 o   63.570   17.647   7.0599   9.7174  -8.1075   11.983   36.194   16.607   40.229   19.274   86.910   29.567 -46.68068 35.29420 
1 1 1  -13   31   37 o   71.390   19.294   24.463   10.577   26.847   13.744   21.000   16.564   76.400   26.856   66.380   27.710 10.02015 38.58882 
1 1 1  -13   32    1 o   57.003   15.107   6.0467   6.5741   15.685   10.529  -0.1117   8.4163   70.697   23.542   43.308   18.938 27.38924 30.21393 
1 1 1  -13   32    2 o   62.340   15.432   9.8541   6.2820   17.365   10.747   5.9562   7.7424   73.776   23.738   50.903   19.725 22.87303 30.86348 
1 1 1  -13   32    3 o   50.687   14.666   1.9219   6.7045  -4.4374   8.8331   10.565   10.298   39.627   18.176   61.747   23.021 -22.12031 29.33119 
1 1 1  -13   32    4 o   62.608   16.275   11.172   7.1982   12.209   9.2468   9.5778   11.467   63.853   22.052   61.364   23.942 2.489258 32.55003 
1 1 1  -13   32    5 o  101.911   14.053   31.925   7.5084   33.343   10.025   30.112   11.332  106.463   17.426   97.359   22.052 9.103760 28.10568 
1 1 1  -13   32    6 o   99.781   15.198   31.437   7.9542   29.391   11.344   33.416   11.157   95.968   22.300  103.594   20.655 -7.625977 30.39564 
1 1 1  -13   32    7 o   57.042   19.110  -3.5877   10.204  -6.6374   30.189  -3.1943   10.842   68.753   32.233   45.331   20.539 23.42225 38.22087 
1 1 1  -13   32    8 o   92.539   21.636   29.676   11.081   28.694   27.497   29.867   12.108   89.203   36.308   95.876   23.542 -6.673676 43.27234 
1 1 1  -13   32    9 o   46.837   15.287  -5.2026   8.7810   1.4348   9.8190 -31.7117   19.623   48.067   20.741   45.606   22.463 2.460754 30.57359 
1 1 1  -13   32   10 o   68.977   18.102   14.561   9.4149   19.404   10.785  -0.9464   19.299   77.363   23.628   60.591   27.432 16.77207 36.20469 
1 1 1  -13   32   11 o   91.468   15.141   26.407   7.4552   19.586   10.267   34.016   10.843   77.949   22.878  104.988   19.840 -27.03951 30.28247 
1 1 1  -13   32   12 o   90.053   16.259   26.112   7.9422   23.754   10.913   28.768   11.580   85.637   23.067   94.468   22.919 -8.830711 32.51723 
1 1 1  -13   32   13 o  109.560   21.399   37.673   12.214   0.0000   0.0000   37.673   12.214  ?   ?   109.560   21.399      ?      ? 
1 1 1  -13   32   14 o  155.056   10.695   69.811   8.8984   77.107   12.425   62.129   12.750  164.130   14.010  145.982   16.163 18.14865 21.38921 
1 1 1  -13   32   15 o   92.666   15.693   28.111   8.4260   39.949   11.666   15.203   12.183  115.457   18.700   69.874   25.206 45.58255 31.38518 
1 1 1  -13   32   16 o   87.666   16.485   25.572   8.1719   32.093   11.397   18.671   11.724  100.141   21.689   75.190   24.832 24.95065 32.97067 
1 1 1  -13   32   17 o  111.133   14.837   40.437   8.5188   55.068   11.847   24.771   12.259  136.892   16.015   85.373   24.982 51.51923 29.67481 
1 1 1  -13   32   18 o   76.884   15.999   18.232   8.4772   33.220   11.876   2.6591   12.105  101.001   22.351   52.767   22.898 48.23375 31.99804 
1 1 1  -13   32   19 o   82.404   16.766   22.674   8.2316   14.877   11.596   30.594   11.687   68.355   24.600   96.452   22.786 -28.09689 33.53160 
1 1 1  -13   32   20 o   70.811   17.180   16.230   8.0675   12.155   11.279   20.500   11.544   63.820   24.034   77.802   24.557 -13.98150 34.36068 
1 1 1  -13   32   21 o   67.055   17.005   14.466   7.8219   13.548   10.758   15.496   11.393   65.378   23.671   68.731   24.421 -3.352730 34.01039 
1 1 1  -13   32   22 o   81.916   16.484   22.977   7.7984   17.586   10.779   28.899   11.297   71.579   23.819   92.253   22.794 -20.67455 32.96809 
1 1 1  -13   32   23 o   94.208   15.167   29.093   8.4536   49.291   12.567   12.400   11.425  125.766   18.492   62.650   24.045 63.11605 30.33378 
1 1 1  -13   32   24 o   54.680   16.155   6.4764   7.9778   7.1753   11.056   5.7171   11.523   55.299   22.823   54.060   22.871 1.238701 32.31060 
1 1 1  -13   32   25 o   63.618   16.016   9.4876   8.2334  -4.2960   11.453   24.232   11.845   44.350   20.471   82.885   24.639 -38.53414 32.03299 
1 1 1  -13   32   26 o   86.696   24.717   26.361   12.144   0.0000   0.0000   26.361   12.144  ?   ?    86.696   24.717      ?      ? 
1 1 1  -13   32   27 o   34.995   12.225 -21.6519   8.4489 -24.9483   12.332 -18.7356   11.599   34.387   17.091   35.603   17.483 -1.215530 24.44906 
1 1 1  -13   32   28 o   48.846   16.690 -18.0728   13.893 -38.5586   21.777  -4.0135   18.041   44.234   22.100   53.457   25.016 -9.223007 33.37988 
1 1 1  -13   32   29 f   48.759   16.638  -9.6799   13.201 -13.3266   19.181  -6.3986   18.195   47.697   23.219   49.821   23.837 -2.123657 33.27655 
1 1 1  -13   32   30 o   47.190   16.240 -11.8599   13.206 -14.7004   20.047  -9.6824   17.552   47.434   23.229   46.946   22.701 0.4879456 32.47984 
1 1 1  -13   32   31 o   37.596   18.232 -12.5705   11.530 -12.5705   11.530   0.0000   0.0000   37.596   18.232  ?   ?       ?      ? 
1 1 1  -13   32   32 o   53.851   16.675   4.9812   9.9106   12.610   12.576  -7.5225   16.100   60.507   24.583   47.194   22.537 13.31371 33.34998 
1 1 1  -13   32   33 o   64.500   18.262   17.591   10.340   23.446   13.174   8.2004   16.684   72.971   26.225   56.029   25.422 16.94160 36.52483 
1 1 1  -13   33    1 o   52.517   14.611   6.0198   6.4045  -0.5635   10.396   10.047   8.1308   46.587   20.681   58.448   20.645 -11.86050 29.22209 
1 1 1  -13   33    2 o   41.501   13.328  -3.3057   6.3153  -0.4360   10.185  -5.0979   8.0492   46.308   20.518   36.694   17.016 9.614090 26.65573 
1 1 1  -13   33    3 o  112.833   12.708   39.309   7.1609   35.248   11.670   41.761   9.0689  105.221   21.257  120.445   13.934 -15.22315 25.41660 
1 1 1  -13   33    4 o   38.403   12.893  -9.1595   7.1037  -7.6067   9.1001 -11.5816   11.366   37.197   17.520   39.610   18.921 -2.413345 25.78675 
1 1 1  -13   33    5 o   45.282   14.078  -1.3687   7.0455   4.6978   9.2639  -9.6920   10.851   50.832   20.925   39.731   18.838 11.10053 28.15606 
1 1 1  -13   33    6 o  189.285   9.3212  102.636   9.4550  119.558   13.596   86.788   13.158  205.122   12.266  173.448   14.039 31.67418 18.64239 
1 1 1  -13   33    7 o   85.870   16.331   24.026   7.9146   17.374   10.723   31.987   11.731   72.682   23.737   99.058   22.436 -26.37662 32.66212 
1 1 1  -13   33    8 o   88.172   19.047   31.420   11.022   1.9628   26.902   37.362   12.082   68.319   31.477  108.024   21.455 -39.70480 38.09397 
1 1 1  -13   33    9 o   75.820   20.901   19.031   11.137   8.6441   29.121   20.810   12.053   73.364   33.403   78.276   25.134 -4.912735 41.80238 
1 1 1  -13   33   10 o   51.874   16.878  -1.5054   8.7739  -1.2871   9.7476  -2.4369   20.139   44.381   19.842   59.366   27.309 -14.98508 33.75621 
1 1 1  -13   33   11 o  123.916   18.044   48.915   10.207   46.427   11.646   57.162   21.200  124.693   17.284  123.138   31.679 1.554657 36.08729 
1 1 1  -13   33   12 o  120.483   13.039   43.451   8.4343   39.412   11.179   48.789   12.851  114.298   18.100  126.668   18.775 -12.37009 26.07867 
1 1 1  -13   33   13 o   88.941   16.177   27.597   8.1982   34.953   10.785   17.528   12.618  105.459   19.648   72.424   25.703 33.03522 32.35315 
1 1 1  -13   33   14 o   56.861   16.507   7.0981   8.0412   5.3338   10.566   9.5264   12.396   53.141   22.153   60.582   24.479 -7.441360 33.01437 
1 1 1  -13   33   15 o   68.167   17.070   14.984   7.9704   10.669   10.783   20.183   11.834   60.374   23.310   75.961   24.943 -15.58660 34.13961 
1 1 1  -13   33   16 o   62.652   17.186   12.086   8.3103   11.166   11.479   13.098   12.046   61.131   23.926   64.174   24.677 -3.043076 34.37123 
1 1 1  -13   33   17 o  111.893   21.781   41.697   12.696   0.0000   0.0000   41.697   12.696  ?   ?   111.893   21.781      ?      ? 
1 1 1  -13   33   18 o   60.191   16.297   8.0228   8.2293  -2.5577   11.227   20.306   12.097   45.150   20.628   75.231   25.236 -30.08137 32.59420 
1 1 1  -13   33   19 o  112.360   15.231   41.829   8.9516   47.477   12.241   35.337   13.123  123.998   18.270  100.723   24.375 23.27471 30.46170 
1 1 1  -13   33   20 o   39.268   13.321 -18.4382   8.3777 -33.7767   11.423  -0.5831   12.324   29.444   14.879   49.092   22.101 -19.64835 26.64265 
1 1 1  -13   33   21 o   85.259   16.263   24.963   8.3528   36.571   11.757   13.134   11.869  105.834   21.296   64.683   24.584 41.15091 32.52510 
1 1 1  -13   33   22 o  112.098   21.470   41.086   12.532   0.0000   0.0000   41.086   12.532  ?   ?   112.098   21.470      ?      ? 
1 1 1  -13   33   23 o   66.598   17.503   14.881   8.5644   18.336   11.756   10.974   12.502   71.946   24.863   61.250   24.642 10.69647 35.00549 
1 1 1  -13   33   24 o   49.629   15.863  -6.7770   9.1565 -18.9261   11.442   14.858   15.269   34.396   16.981   64.862   26.800 -30.46566 31.72697 
1 1 1  -13   33   28 o   74.273   26.838   22.883   13.819   22.883   13.819   0.0000   0.0000   74.273   26.838  ?   ?       ?      ? 
1 1 1  -13   33   29 o   60.001   17.108   11.386   10.124   23.716   12.982  -7.7568   16.176   73.995   26.092   46.007   22.133 27.98841 34.21500 
1 1 1  -13   33   30 o   43.582   14.863  -8.0903   10.173 -10.7860   13.184  -4.1239   15.992   40.070   19.447   47.093   22.481 -7.022888 29.72529 
1 1 1  -13   34    1 o   70.518   20.463   16.513   8.2553   0.0000   0.0000   16.513   8.2553  ?   ?    70.518   20.463      ?      ? 
1 1 1  -13   34    2 o   91.064   14.883   26.269   6.9547   33.311   11.731   22.453   8.6359   99.129   22.425   82.999   19.573 16.12987 29.76567 
1 1 1  -13   34    3 o   44.091   13.954  -0.3242   6.6711  -1.6095   10.983   0.4272   8.3976   45.520   20.644   42.661   18.779 2.859329 27.90738 
1 1 1  -13   34    4 o  150.913   9.9841   63.271   7.7387   79.775   13.726   55.581   9.3699  163.184   15.566  138.642   12.507 24.54291 19.96821 
1 1 1  -13   34    5 f   56.597   15.933   5.7385   7.5540  -1.3961   9.6210   17.207   12.198   43.144   19.466   70.050   25.228 -26.90632 31.86502 
1 1 1  -13   34    6 o   55.490   16.353   6.9991   8.1791   8.7764   11.028   4.8259   12.194   57.240   23.102   53.740   23.151 3.500648 32.70616 
1 1 1  -13   34    7 o   93.360   16.812   30.143   8.5582   24.655   11.586   36.735   12.696   83.306   24.261  103.414   23.281 -20.10855 33.62496 
1 1 1  -13   34    8 o   80.255   16.589   23.504   8.3955   31.408   10.965   12.305   13.052   97.085   21.471   63.425   25.295 33.65948 33.17883 
1 1 1  -13   34    9 o   67.927   18.561   14.549   11.656 -21.0225   24.614   24.831   13.234   53.674   26.167   82.180   26.330 -28.50579 37.12105 
1 1 1  -13   34   10 o   47.138   16.216 -14.7180   11.796 -31.4865   24.427  -9.6190   13.470   50.119   24.756   44.157   20.952 5.961983 32.43252 
1 1 1  -13   34   11 o   70.293   20.030   7.3426   9.6718   0.2262   10.716   38.604   22.460   47.085   20.945   93.501   34.149 -46.41545 40.06067 
1 1 1  -13   34   12 o   48.807   21.640   0.8005   11.347   0.8005   11.347   0.0000   0.0000   48.807   21.640  ?   ?       ?      ? 
1 1 1  -13   34   13 o   86.178   18.881   23.518   9.6865   14.133   11.874   42.185   16.747   66.115   24.706  106.241   28.557 -40.12588 37.76119 
1 1 1  -13   34   14 o  111.493   16.463   34.882   9.5231   20.393   11.348   69.392   17.512   76.664   24.363  146.323   22.149 -69.65891 32.92577 
1 1 1  -13   34   15 o   66.921   17.408   3.3927   9.6565 -12.9414   11.949   34.144   16.395   39.447   18.989   94.396   29.182 -54.94902 34.81639 
1 1 1  -13   34   16 o   44.536   15.047 -10.7983   9.6377 -12.2117   12.044  -8.2815   16.071   39.927   19.180   49.146   23.189 -9.218708 30.09325 
1 1 1  -13   34   17 o   61.127   18.036   10.207   9.9939   12.962   12.730   5.7815   16.135   63.673   25.111   58.580   25.896 5.093147 36.07187 
1 1 1  -13   34   18 o   72.614   19.284   18.839   10.412   10.171   13.381   32.140   16.575   59.075   24.800   86.152   29.537 -27.07738 38.56802 
1 1 1  -13   34   19 o  111.814   18.385   49.749   10.835   51.667   14.195   47.072   16.772  119.203   22.869  104.424   28.793 14.77892 36.77002 
1 1 1  -13   34   20 o   63.554   18.237   15.810   10.479   22.995   13.731   5.7860   16.218   72.513   26.667   54.595   24.884 17.91723 36.47434 
1 1 1  -13   34   21 o   38.600   19.272 -28.7613   16.438   0.0000   0.0000 -28.7613   16.438  ?   ?    38.600   19.272      ?      ? 
1 1 1  -13   34   25 o   54.591   16.737   7.3332   9.6276  -2.3041   13.632   16.923   13.599   45.803   21.533   63.378   25.628 -17.57533 33.47387 
1 1 1  -13   35    1 o   59.030   23.943   9.7869   11.908   0.0000   0.0000   9.7869   11.908  ?   ?    59.030   23.943      ?      ? 
1 1 1  -13   35    2 o  157.752   15.592   74.859   13.291   0.0000   0.0000   74.859   13.291  ?   ?   157.752   15.592      ?      ? 
1 1 1  -13   35    3 o   73.247   18.627   19.372   9.1816   17.995   11.560   21.723   15.111   71.065   24.650   75.428   27.933 -4.363602 37.25412 
1 1 1  -13   35    4 o   45.154   15.014  -6.5889   9.3075  -6.0338   12.338  -7.3221   14.179   44.068   20.643   46.241   21.807 -2.172695 30.02800 
1 1 1  -13   35    5 o   47.753   15.573  -3.1369   9.4451   0.7770   12.649  -8.0698   14.200   49.847   22.420   45.660   21.621 4.186996 31.14679 
1 1 1  -13   35    6 o   51.966   15.899  -1.9535   8.7738 -14.0563   11.352   16.002   13.827   36.910   17.944   67.022   26.251 -30.11214 31.79795 
1 1 1  -13   35    7 f   54.670   16.810   5.0466   9.6589   11.631   12.981  -3.1194   14.457   60.696   24.853   48.644   22.640 12.05203 33.61953 
1 1 1  -13   35    8 o   59.597   17.552   11.138   9.2356   11.518   11.672   10.502   15.103   59.335   23.831   59.858   25.776 -0.5225258 35.10454 
1 1 1  -13   35    9 o   39.345   13.544 -15.5046   9.4642  -6.9369   12.550 -26.8018   14.411   42.465   20.171   36.226   18.080 6.238640 27.08789 
1 1 1  -13   35   10 o   67.015   26.960   18.842   14.965   0.0000   0.0000   18.842   14.965  ?   ?    67.015   26.960      ?      ? 
1 1 1  -13   35   11 o   55.358   24.702   7.6644   15.030   0.0000   0.0000   7.6644   15.030  ?   ?    55.358   24.702      ?      ? 
1 1 1  -13   35   12 o   48.242   21.801   2.3604   12.126   2.3604   12.126   0.0000   0.0000   48.242   21.801  ?   ?       ?      ? 
1 1 1  -13   35   13 o   46.999   16.026  -7.4474   11.415  -1.5444   12.854 -29.4820   24.834   46.348   21.496   47.649   23.774 -1.301250 32.05103 
1 1 1  -13   35   14 o  101.278   25.659   39.730   14.059   39.730   14.059   0.0000   0.0000  101.278   25.659  ?   ?       ?      ? 
1 1 1  -13   35   15 o   57.211   15.774   4.9515   8.8384   22.227   12.055 -15.1280   12.997   75.486   25.193   38.935   18.988 36.55140 31.54751 
1 1 1  -13   35   16 o  102.906   16.195   38.404   9.1099   49.481   12.937   27.509   12.830  122.427   19.555   83.385   25.822 39.04240 32.39099 
1 1 1  -13   35   17 o   65.104   25.096   16.217   12.482   0.0000   0.0000   16.217   12.482  ?   ?    65.104   25.096      ?      ? 
1 1 1  -13   35   18 o   68.928   20.688   17.728   15.511  -9.8784   22.653   42.095   21.282   51.467   25.093   86.390   32.899 -34.92215 41.37646 
1 1 1  -13   35   19 o   42.691   15.139 -31.1180   14.933 -44.1892   24.670 -23.5586   18.761   43.048   21.766   42.333   21.047 0.7151833 30.27774 
1 1 1  -13   35   20 f   65.562   21.080   19.673   16.046   36.622   25.257   8.2027   20.779   74.019   32.576   57.105   26.763 16.91446 42.15976 
1 1 1  -13   36    1 o   30.497   14.827 -10.2562   7.7530   0.0000   0.0000 -10.2562   7.7530  ?   ?    30.497   14.827      ?      ? 
1 1 1  -13   36    2 o   37.847   17.170  -1.2480   7.6069   0.0000   0.0000  -1.2480   7.6069  ?   ?    37.847   17.170      ?      ? 
1 1 1  -13   36    3 o   34.226   16.252  -6.3979   8.1347   0.0000   0.0000  -6.3979   8.1347  ?   ?    34.226   16.252      ?      ? 
1 1 1  -13   36    4 o   61.822   15.497   13.986   7.2357   4.4527   11.827   19.690   9.1475   50.319   22.211   73.326   21.616 -23.00785 30.99333 
1 1 1  -13   36    5 o   49.798   14.928   2.4843   7.0772   14.619   11.669  -4.5768   8.9011   62.290   24.194   37.306   17.494 24.98406 29.85584 
1 1 1  -13   36    6 o   54.911   13.617   7.4905   6.9138 -14.7455   11.632   19.637   8.5972   36.085   17.676   73.736   20.719 -37.65104 27.23431 
1 1 1  -13   36    7 o   55.905   16.195   8.1793   8.1479   0.2281   10.807   18.652   12.403   44.576   20.316   67.235   25.226 -22.65892 32.38932 
1 1 1  -13   36    8 f   42.328   14.063  -4.1315   8.1245  -7.0343   10.863  -0.4467   12.239   38.895   18.557   45.761   21.136 -6.866653 28.12621 
1 1 1  -13   36    9 f   46.325   14.343  -2.3748   8.0965   13.000   10.933 -21.0482   12.049   58.906   23.258   33.745   16.792 25.16097 28.68610 
1 1 1  -13   36   10 o   72.004   17.565   21.245   8.6984   13.124   11.765   31.038   12.919   58.800   23.816   85.208   25.823 -26.40796 35.12901 
1 1 1  -13   36   11 o   62.599   18.738   17.106   11.243   6.0360   24.229   20.144   12.693   57.345   27.456   67.854   25.507 -10.50890 37.47548 
1 1 1  -12    0    1 o  600.512   7.4617  975.510   34.218  975.510   34.218  975.510   34.218  600.512   10.552  600.512   10.552 0.000000 0.000000 
1 1 1  -12    0    2 o  1419.77   16.879  5459.07  183.013  5459.07  183.013  5459.07  183.013  1419.77   23.870  1419.77   23.870 0.000000 0.000000 
1 1 1  -12    0    3 o  334.564   4.6665  302.813   11.920  302.813   11.920  302.813   11.920  334.564   6.5994  334.564   6.5994 0.000000 0.000000 
1 1 1  -12    0    4 o  450.605   5.8473  549.248   20.120  549.248   20.120  549.248   20.120  450.605   8.2694  450.605   8.2694 0.000000 0.000000 
1 1 1  -12    0    5 o  524.250   6.6388  743.465   26.578  743.465   26.578  743.465   26.578  524.250   9.3886  524.250   9.3886 0.000000 0.000000 
1 1 1  -12    0    6 o  362.016   4.9675  354.540   13.731  354.540   13.731  354.540   13.731  362.016   7.0251  362.016   7.0251 0.000000 0.000000 
1 1 1  -12    0    7 o  1099.47   13.167  3272.52  110.562  3272.52  110.562  3272.52  110.562  1099.47   18.622  1099.47   18.622 0.000000 0.000000 
1 1 1  -12    0    8 o  224.225   3.8042  136.088   6.5100  136.088   6.5100  136.088   6.5100  224.225   5.3799  224.225   5.3799 0.000000 0.000000 
1 1 1  -12    0    9 o  828.367   10.053  1857.21   63.594  1857.21   63.594  1857.21   63.594  828.367   14.217  828.367   14.217 0.000000 0.000000 
1 1 1  -12    0   10 o  781.914   9.5277  1654.79   56.893  1654.79   56.893  1654.79   56.893  781.914   13.474  781.914   13.474 0.000000 0.000000 
1 1 1  -12    0   11 o  486.389   6.2648  640.082   23.269  640.082   23.269  640.082   23.269  486.389   8.8598  486.389   8.8598 0.000000 0.000000 
1 1 1  -12    0   12 o  152.474   3.7359   63.048   4.3412   63.048   4.3412   63.048   4.3412  152.474   5.2834  152.474   5.2834 0.000000 0.000000 
1 1 1  -12    0   13 o  259.947   4.1602  182.885   8.2547  182.885   8.2547  182.885   8.2547  259.947   5.8835  259.947   5.8835 0.000000 0.000000 
1 1 1  -12    0   14 o  135.974   3.8455   50.202   3.9814   50.202   3.9814   50.202   3.9814  135.974   5.4384  135.974   5.4384 0.000000 0.000000 
1 1 1  -12    0   15 o  675.568   8.3532  1235.25   43.095  1235.25   43.095  1235.25   43.095  675.568   11.813  675.568   11.813 0.000000 0.000000 
1 1 1  -12    0   16 o  227.160   4.0333  139.711   6.9916  139.711   6.9916  139.711   6.9916  227.160   5.7039  227.160   5.7039 0.000000 0.000000 
1 1 1  -12    0   19 o  130.421   6.0744   46.577   5.9939   46.577   5.9939   46.577   5.9939  130.421   8.5905  130.421   8.5905 0.000000 0.000000 
1 1 1  -12    0   20 o  239.040   4.1839  154.706   7.6323  154.706   7.6323  154.706   7.6323  239.040   5.9170  239.040   5.9170 0.000000 0.000000 
1 1 1  -12    0   21 o  312.235   4.6895  263.838   11.178  263.838   11.178  263.838   11.178  312.235   6.6320  312.235   6.6320 0.000000 0.000000 
1 1 1  -12    0   22 o  217.900   4.1835  128.597   6.9547  128.597   6.9547  128.597   6.9547  217.900   5.9164  217.900   5.9164 0.000000 0.000000 
1 1 1  -12    0   23 o  226.301   4.2522  138.691   7.3420  138.691   7.3420  138.691   7.3420  226.301   6.0136  226.301   6.0136 0.000000 0.000000 
1 1 1  -12    0   24 o  1315.35   15.726  4691.44  157.968  4691.44  157.968  4691.44  157.968  1315.35   22.239  1315.35   22.239 0.000000 0.000000 
1 1 1  -12    0   25 o  217.654   4.3789  128.330   7.2700  128.330   7.2700  128.330   7.2700  217.654   6.1927  217.654   6.1927 0.000000 0.000000 
1 1 1  -12    0   26 o  626.464   7.9070  1062.02   37.826  1062.02   37.826  1062.02   37.826  626.464   11.182  626.464   11.182 0.000000 0.000000 
1 1 1  -12    0   27 o  1279.52   15.312  4436.49  149.628  4436.49  149.628  4436.49  149.628  1279.52   21.655  1279.52   21.655 0.000000 0.000000 
1 1 1  -12    0   28 o  678.580   8.4685  1246.00   43.884  1246.00   43.884  1246.00   43.884  678.580   11.976  678.580   11.976 0.000000 0.000000 
1 1 1  -12    0   29 o  925.407   11.234  2318.10   79.390  2318.10   79.390  2318.10   79.390  925.407   15.887  925.407   15.887 0.000000 0.000000 
1 1 1  -12    0   30 o   24.773   11.214   0.2060   4.7750   0.2060   4.7750   0.2060   4.7750   24.773   15.859   24.773   15.859 0.000000 0.000000 
1 1 1  -12    0   31 o  322.789   5.1330  282.003   12.647  282.003   12.647  282.003   12.647  322.789   7.2591  322.789   7.2591 0.000000 0.000000 
1 1 1  -12    0   32 o  382.647   5.6295  396.222   16.446  396.222   16.446  396.222   16.446  382.647   7.9614  382.647   7.9614 0.000000 0.000000 
1 1 1  -12    0   33 o  683.396   8.5947  1263.90   44.853  1263.90   44.853  1263.90   44.853  683.396   12.155  683.396   12.155 0.000000 0.000000 
1 1 1  -12    0   34 o  804.977   9.9439  1754.17   61.129  1754.17   61.129  1754.17   61.129  804.977   14.063  804.977   14.063 0.000000 0.000000 
1 1 1  -12    0   35 o  274.176   5.4025  203.647   11.300  203.647   11.300  203.647   11.300  274.176   7.6403  274.176   7.6403 0.000000 0.000000 
1 1 1  -12    0   37 o  1181.58   14.292  3785.18  128.967  3785.18  128.967  3785.18  128.967  1181.58   20.212  1181.58   20.212 0.000000 0.000000 
1 1 1  -12    0   38 o  271.824   5.8496  200.281   12.126  200.281   12.126  200.281   12.126  271.824   8.2726  271.824   8.2726 0.000000 0.000000 
1 1 1  -12    0   39 o   90.612   14.134   25.211   8.5611   25.211   8.5611   25.211   8.5611   90.612   19.988   90.612   19.988 0.000000 0.000000 
1 1 1  -12    0   40 o  593.726   7.8034  954.443   35.378  954.443   35.378  954.443   35.378  593.726   11.036  593.726   11.036 0.000000 0.000000 
1 1 1  -12    0   41 o  138.683   8.3718   53.157   8.7238   53.157   8.7238   53.157   8.7238  138.683   11.840  138.683   11.840 0.000000 0.000000 
1 1 1  -12    0   42 o  270.966   5.7059  199.055   11.792  199.055   11.792  199.055   11.792  270.966   8.0694  270.966   8.0694 0.000000 0.000000 
1 1 1  -12    0   43 o  150.214   7.5945   61.987   8.6155   61.987   8.6155   61.987   8.6155  150.214   10.740  150.214   10.740 0.000000 0.000000 
1 1 1  -12    0   44 f  507.247   6.9766  696.970   27.021  696.970   27.021  696.970   27.021  507.247   9.8664  507.247   9.8664 0.000000 0.000000 
1 1 1  -12    0   45 f   47.429   16.965   9.0117   7.6433   9.0117   7.6433   9.0117   7.6433   47.429   23.992   47.429   23.992 0.000000 0.000000 
1 1 1  -12    0   48 o  351.209   8.4385  335.811   22.589  335.811   22.589  335.811   22.589  351.209   11.934  351.209   11.934 0.000000 0.000000 
1 1 1  -12    0   49 o  138.889   7.6695   53.257   8.0260   53.257   8.0260   53.257   8.0260  138.889   10.846  138.889   10.846 0.000000 0.000000 
1 1 1  -12    0   50 o   27.158   12.805  -2.2400   7.2247  -2.2400   7.2247  -2.2400   7.2247   27.158   18.109   27.158   18.109 0.000000 0.000000 
1 1 1  -12    0   51 o   92.807   12.041   25.729   7.6908   25.729   7.6908   25.729   7.6908   92.807   17.028   92.807   17.028 0.000000 0.000000 
1 1 1  -12    0   52 o   84.605   12.693   21.989   7.2164   21.989   7.2164   21.989   7.2164   84.605   17.951   84.605   17.951 0.000000 0.000000 
1 1 1  -12    0   53 o  293.044   5.6754  233.344   12.688  233.344   12.688  233.344   12.688  293.044   8.0262  293.044   8.0262 0.000000 0.000000 
1 1 1  -12    0   54 o   21.683   10.760  -7.1450   6.8070  -7.1450   6.8070  -7.1450   6.8070   21.683   15.217   21.683   15.217 0.000000 0.000000 
1 1 1  -12    0   55 o  232.248   5.7871  146.968   10.242  146.968   10.242  146.968   10.242  232.248   8.1842  232.248   8.1842 0.000000 0.000000 
1 1 1  -12    0   56 o   98.904   10.224   28.463   7.2444   28.463   7.2444   28.463   7.2444   98.904   14.459   98.904   14.459 0.000000 0.000000 
1 1 1  -12    0   57 o   32.946   14.346   2.6289   7.0358   2.6289   7.0358   2.6289   7.0358   32.946   20.288   32.946   20.288 0.000000 0.000000 
1 1 1  -12    0   58 o  315.591   5.7225  271.447   13.781  271.447   13.781  271.447   13.781  315.591   8.0928  315.591   8.0928 0.000000 0.000000 
1 1 1  -12    0   59 o  122.223   8.4800   42.137   7.7454   42.137   7.7454   42.137   7.7454  122.223   11.992  122.223   11.992 0.000000 0.000000 
1 1 1  -12    0   60 o  240.298   5.9912  157.989   10.971  157.989   10.971  157.989   10.971  240.298   8.4728  240.298   8.4728 0.000000 0.000000 
1 1 1  -12    0   61 o  116.913   9.2207   39.108   7.9759   39.108   7.9759   39.108   7.9759  116.913   13.040  116.913   13.040 0.000000 0.000000 
1 1 1  -12    0   62 o  152.994   7.5558   65.218   8.7351   65.218   8.7351   65.218   8.7351  152.994   10.686  152.994   10.686 0.000000 0.000000 
1 1 1  -12    0   63 o  187.940   7.0479   97.756   10.057   97.756   10.057   97.756   10.057  187.940   9.9673  187.940   9.9673 0.000000 0.000000 
1 1 1  -12    0   64 o  304.721   8.5745  258.559   19.895  258.559   19.895  258.559   19.895  304.721   12.126  304.721   12.126 0.000000 0.000000 
1 1 1  -12    0   65 o   33.688   15.229   2.0434   8.7698   2.0434   8.7698   2.0434   8.7698   33.688   21.537   33.688   21.537 0.000000 0.000000 
1 1 1  -12    0   66 o   30.367   14.813  -6.4437   11.495  -6.4437   11.495  -6.4437   11.495   30.367   20.949   30.367   20.949 0.000000 0.000000 
1 1 1  -12    0   67 o  226.694   6.8513  142.872   11.820  142.872   11.820  142.872   11.820  226.694   9.6892  226.694   9.6892 0.000000 0.000000 
1 1 1  -12    0   68 o  182.139   7.6602   93.708   10.576   93.708   10.576   93.708   10.576  182.139   10.833  182.139   10.833 0.000000 0.000000 
1 1 1  -12    0   69 o   33.220   15.165   2.3601   8.9691   2.3601   8.9691   2.3601   8.9691   33.220   21.446   33.220   21.446 0.000000 0.000000 
1 1 1  -12    1    1 o  1787.35   21.214  8672.32  204.871  8609.14  287.477  8737.53  292.040  1780.78   29.875  1793.93   30.127 -13.15588 42.42779 
1 1 1  -12    1    2 o  563.220   7.0457  857.508   21.443  860.138   30.428  854.914   30.223  564.077   9.9828  562.363   9.9455 1.714417 14.09145 
1 1 1  -12    1    3 o  841.314   10.176  1914.12   46.254  1892.85   64.709  1936.35   66.139  836.541   14.315  846.088   14.466 -9.547058 20.35166 
1 1 1  -12    1    4 o  408.979   5.4155  452.060   11.968  450.522   16.891  453.611   16.960  408.280   7.6560  409.677   7.6612 -1.397217 10.83097 
1 1 1  -12    1    5 o  600.769   7.4727  975.691   24.257  982.557   34.568  969.030   34.047  602.850   10.611  598.689   10.524 4.161072 14.94534 
1 1 1  -12    1    6 o  1172.34   14.003  3722.15   88.706  3727.38  125.675  3716.95  125.223  1173.16   19.825  1171.52   19.781 1.636230 28.00537 
1 1 1  -12    1    7 o  1037.82   12.448  2915.98   69.808  2903.53   98.295  2928.65   99.158  1035.59   17.565  1040.05   17.644 -4.460083 24.89648 
1 1 1  -12    1    8 o  537.765   6.7938  781.779   19.740  789.112   28.173  774.707   27.667  540.240   9.6506  535.290   9.5650 4.950317 13.58765 
1 1 1  -12    1    9 o  269.633   4.1637  196.459   6.0660  193.704   8.5191  199.292   8.6394  267.716   5.8889  271.550   5.8877 -3.834656 8.327302 
1 1 1  -12    1   10 o  161.147   3.6222   70.136   3.1532   72.082   4.5275   68.303   4.3940  163.316   5.1303  158.977   5.1149 4.338470 7.244461 
1 1 1  -12    1   11 o  592.093   7.4029  948.185   23.684  940.418   33.241  956.192   33.752  589.633   10.433  594.552   10.506 -4.919800 14.80589 
1 1 1  -12    1   12 o  116.480   3.8870   36.660   2.4462   37.208   3.4964   36.136   3.4236  117.332   5.5146  115.630   5.4793 1.702141 7.773911 
1 1 1  -12    1   13 o  190.625   3.7492   98.203   3.8617   99.870   5.4838   96.563   5.4389  192.230   5.2793  189.020   5.3249 3.210114 7.498387 
1 1 1  -12    1   14 o  299.567   4.4851  242.150   7.2524  251.551   10.562  233.762   9.9763  305.057   6.4070  294.076   6.2780 10.98190 8.970147 
1 1 1  -12    1   15 o  223.565   3.9464  134.984   4.7655  131.339   6.6239  138.895   6.8612  220.439   5.5608  226.691   5.6012 -6.252121 7.892779 
1 1 1  -12    1   16 o  630.745   9.5942  1086.43   31.270  1109.43   39.119  1045.72   52.041  640.289   11.306  621.201   15.503 19.08838 19.18831 
1 1 1  -12    1   19 o  513.972   9.3742  715.075   26.023  700.225   36.131  731.081   37.512  508.442   13.151  519.502   13.363 -11.06030 18.74846 
1 1 1  -12    1   20 o  433.647   5.7927  508.535   13.573  512.436   19.316  504.731   19.078  435.289   8.2120  432.006   8.1723 3.282684 11.58547 
1 1 1  -12    1   21 o  455.555   6.0233  561.255   14.827  563.362   21.023  559.168   20.915  456.406   8.5243  454.704   8.5121 1.701477 12.04658 
1 1 1  -12    1   22 o  349.578   5.0388  330.397   9.5182  329.046   13.454  331.752   13.467  348.862   7.1370  350.295   7.1148 -1.432098 10.07751 
1 1 1  -12    1   23 o  178.112   4.2056   85.764   4.0471   84.829   5.7552   86.678   5.6922  177.152   6.0121  179.073   5.8825 -1.921814 8.411267 
1 1 1  -12    1   24 o  323.675   4.8679  283.202   8.5141  281.797   12.011  284.622   12.071  322.868   6.8845  324.482   6.8841 -1.614410 9.735867 
1 1 1  -12    1   25 o  806.957   9.8714  1762.53   43.036  1743.12   60.167  1782.86   61.583  802.419   13.876  811.494   14.044 -9.075256 19.74279 
1 1 1  -12    1   26 o  666.338   8.3101  1201.27   29.922  1199.45   42.253  1203.09   42.379  665.833   11.744  666.843   11.761 -1.010498 16.62023 
1 1 1  -12    1   27 o  714.348   8.8462  1380.53   34.145  1390.73   48.624  1370.61   47.959  716.947   12.551  711.748   12.470 5.199341 17.69239 
1 1 1  -12    1   28 o  514.011   6.7181  714.106   18.655  725.158   26.752  703.646   26.027  517.878   9.5597  510.143   9.4416 7.734711 13.43618 
1 1 1  -12    1   29 o  618.646   7.8150  1034.90   26.122  1044.55   37.262  1025.57   36.631  621.481   11.096  615.812   11.008 5.669373 15.62994 
1 1 1  -12    1   30 f  1023.98   12.364  2840.30   68.414  2838.26   96.671  2842.34   96.833  1023.62   17.477  1024.35   17.494 -0.7322998 24.72836 
1 1 1  -12    1   31 o  867.180   10.585  2035.73   49.599  2041.55   70.334  2029.98   69.954  868.410   14.988  865.950   14.950 2.460327 21.16931 
1 1 1  -12    1   32 o  760.380   9.4027  1564.54   38.633  1559.22   54.406  1569.96   54.867  759.078   13.264  761.681   13.331 -2.602539 18.80531 
1 1 1  -12    1   33 o  1093.08   13.187  3236.23   77.840  3172.12  107.796  3306.08  112.520  1081.82   18.440  1104.35   18.855 -22.52661 26.37342 
1 1 1  -12    1   34 o  1034.96   12.527  2902.78   70.039  2865.90   97.749  2941.69  100.405  1028.23   17.593  1041.69   17.837 -13.46082 25.05345 
1 1 1  -12    1   35 o  594.236   7.6753  955.233   24.641  964.631   35.242  946.243   34.467  597.089   10.923  591.382   10.786 5.707825 15.35052 
1 1 1  -12    1   36 o  963.666   16.606  2517.28   86.471  2517.28   86.471   0.0000   0.0000  963.666   16.606  ?   ?       ?      ? 
1 1 1  -12    1   37 o  1676.12   20.082  7668.25  181.875  7628.75  255.783  7708.63  258.662  1671.81   28.314  1680.44   28.485 -8.626587 40.16317 
1 1 1  -12    1   38 o  685.046   8.7008  1270.41   32.205  1283.01   45.930  1258.22   45.170  688.382   12.347  681.711   12.262 6.671814 17.40154 
1 1 1  -12    1   39 o  505.598   6.9538  691.543   18.997  683.669   26.671  699.652   27.065  502.678   9.8188  508.518   9.8496 -5.839691 13.90763 
1 1 1  -12    1   40 o  774.783   9.6684  1627.31   40.478  1631.58   57.357  1623.06   57.133  775.795   13.682  773.772   13.664 2.023132 19.33682 
1 1 1  -12    1   41 o  187.277   6.7368   94.898   6.8080   88.207   9.5273  101.880   9.7318  180.525   9.7666  194.030   9.2819 -13.50517 13.47369 
1 1 1  -12    1   42 o  175.151   6.6247   83.053   6.2697   82.347   8.8151   83.775   8.9190  174.398   9.3540  175.903   9.3833 -1.504913 13.24932 
1 1 1  -12    1   43 o  215.222   6.0784  125.354   7.0662  130.429   10.088  120.466   9.9010  219.501   8.5051  210.942   8.6861 8.558624 12.15673 
1 1 1  -12    1   44 o  269.187   5.6071  196.147   8.1559  194.481   11.531  197.815   11.537  268.041   7.9615  270.332   7.8977 -2.291748 11.21428 
1 1 1  -12    1   45 o  280.026   5.6781  211.820   8.5771  221.214   12.588  203.680   11.718  285.796   8.1512  274.255   7.9070 11.54071 11.35617 
1 1 1  -12    1   48 o  158.934   8.8197   68.550   6.9741   69.730   12.669   68.037   8.3539  159.629   14.687  158.240   9.7698 1.389252 17.63942 
1 1 1  -12    1   49 o  318.762   5.6739  275.477   9.7689  281.709   14.074  269.683   13.570  322.228   8.0831  315.295   7.9648 6.933319 11.34787 
1 1 1  -12    1   50 o  200.930   5.9999  109.655   6.5143  108.984   9.2303  110.321   9.1949  200.311   8.5275  201.548   8.4427 -1.236053 11.99989 
1 1 1  -12    1   51 o  134.389   7.9943   49.366   5.8004   48.802   8.3510   49.891   8.0625  133.613   11.567  135.166   11.039 -1.553391 15.98864 
1 1 1  -12    1   52 o  237.134   5.6445  152.205   7.2133  161.881   10.693  144.124   9.7719  243.997   8.1098  230.271   7.8532 13.72507 11.28900 
1 1 1  -12    1   53 o   95.811   10.136   25.446   5.2244   27.865   7.3361   22.957   7.4418  100.566   13.500   91.057   15.124 9.509560 20.27290 
1 1 1  -12    1   54 o  125.363   8.2144   43.290   5.5477   39.465   7.8447   47.117   7.8467  119.715   12.127  131.011   11.084 -11.29552 16.42878 
1 1 1  -12    1   55 o  253.536   5.6215  175.248   7.6963  175.120   11.088  175.367   10.691  253.404   8.0974  253.668   7.7998 -0.2639465 11.24296 
1 1 1  -12    1   56 o  289.424   5.6474  228.690   8.8310  232.420   12.467  224.934   12.511  291.823   7.9058  287.025   8.0666 4.797607 11.29481 
1 1 1  -12    1   57 o   45.188   12.881   2.8187   4.8862   5.2061   7.1769   0.7561   6.6710   49.533   19.047   40.842   17.347 8.691700 25.76226 
1 1 1  -12    1   58 o  287.673   5.6604  226.470   8.7968  231.729   12.611  221.485   12.277  290.917   8.0220  284.429   7.9880 6.487396 11.32081 
1 1 1  -12    1   59 o   75.974   12.473   17.152   5.3003   10.411   7.4679   23.995   7.5241   60.047   19.819   91.900   15.151 -31.85354 24.94676 
1 1 1  -12    1   60 o  120.132   8.6871   40.935   5.5629   34.519   8.0332   46.847   7.7108  110.545   13.448  129.719   11.000 -19.17398 17.37423 
1 1 1  -12    1   61 o   76.534   13.498   18.081   5.5735   16.692   7.9575   19.419   7.8087   73.398   19.666   79.670   18.494 -6.272583 26.99606 
1 1 1  -12    1   62 o   71.769   13.422   15.988   5.3435   13.066   7.5866   18.865   7.5274   65.089   19.803   78.449   18.122 -13.36025 26.84311 
1 1 1  -12    1   63 o  238.316   7.6915  158.956   9.3214  158.124   11.405  160.631   16.178  238.890   8.8350  237.742   12.593 1.147171 15.38304 
1 1 1  -12    1   64 o   59.861   16.143   9.3413   6.9478   7.2300   8.5500   13.446   11.921   53.530   20.732   66.192   24.751 -12.66282 32.28700 
1 1 1  -12    1   65 o  167.817   10.874   80.119   9.8605   0.0000   0.0000   80.119   9.8605  ?   ?   167.817   10.874      ?      ? 
1 1 1  -12    1   66 o  216.079   13.250  135.248   15.471   0.0000   0.0000  135.248   15.471  ?   ?   216.079   13.250      ?      ? 
1 1 1  -12    1   67 o  132.884   11.909   54.643   8.0731   54.789   9.9888   54.369   13.709  136.096   13.583  129.672   19.565 6.423874 23.81737 
1 1 1  -12    1   68 o  117.291   10.644   42.055   6.6814   49.750   9.7269   35.182   9.1936  128.342   14.025  106.240   16.014 22.10273 21.28790 
1 1 1  -12    1   69 o  113.899   11.147   41.229   6.7937   35.301   9.5490   47.305   9.6676  104.268   16.948  123.530   14.483 -19.26212 22.29333 
1 1 1  -12    2    1 o  774.716   9.4211  1622.89   39.433  1604.72   55.181  1641.85   56.372  770.291   13.257  779.142   13.389 -8.851563 18.84217 
1 1 1  -12    2    2 o  551.221   6.9234  821.172   20.619  810.649   28.831  832.188   29.498  547.609   9.7432  554.833   9.8390 -7.224365 13.84687 
1 1 1  -12    2    3 o  771.291   9.3864  1608.92   39.121  1609.60   55.353  1608.24   55.297  771.453   13.278  771.129   13.270 0.3244019 18.77280 
1 1 1  -12    2    4 o  843.665   10.212  1925.14   46.547  1943.24   66.481  1907.73   65.192  847.549   14.516  839.781   14.366 7.768799 20.42304 
1 1 1  -12    2    5 o  381.649   5.1565  393.579   10.633  387.919   14.898  399.456   15.181  378.853   7.2772  384.445   7.3076 -5.592072 10.31299 
1 1 1  -12    2    6 o  335.850   4.7191  304.810   8.5634  307.020   12.219  302.677   12.005  337.046   6.7090  334.655   6.6384 2.391174 9.438205 
1 1 1  -12    2    7 o  822.210   9.9779  1828.80   44.323  1807.92   61.978  1850.66   63.411  817.413   14.032  827.006   14.190 -9.593018 19.95573 
1 1 1  -12    2    8 o  532.145   6.7403  764.900   19.367  746.241   26.772  785.388   28.052  525.348   9.4307  538.942   9.6326 -13.59436 13.48050 
1 1 1  -12    2    9 o  591.434   7.3925  946.045   23.625  949.367   33.551  942.778   33.273  592.463   10.480  590.406   10.429 2.056824 14.78502 
1 1 1  -12    2   10 o  514.701   6.5627  716.275   18.250  708.550   25.570  724.297   26.057  511.875   9.2442  517.528   9.3177 -5.652954 13.12538 
1 1 1  -12    2   11 o  910.179   10.999  2242.47   54.068  2199.16   74.975  2289.41   78.044  901.051   15.398  919.308   15.711 -18.25641 21.99847 
1 1 1  -12    2   12 o  721.980   8.8577  1409.59   34.535  1379.79   47.822  1442.08   49.926  714.023   12.394  729.937   12.658 -15.91333 17.71542 
1 1 1  -12    2   13 o  408.759   5.4843  451.729   12.113  448.874   17.087  454.614   17.176  407.461   7.7605  410.058   7.7514 -2.597229 10.96853 
1 1 1  -12    2   14 o  423.523   5.6360  484.823   12.896  477.201   18.008  492.846   18.476  420.109   7.9324  426.937   8.0086 -6.828247 11.27208 
1 1 1  -12    2   15 o  1065.84   12.813  3081.03   73.785  3110.34  105.369  3052.83  103.355  1070.79   18.211  1060.89   18.029 9.902954 25.62570 
1 1 1  -12    2   16 o  197.333   7.8866  105.293   8.4097   0.0000   0.0000  105.293   8.4097  ?   ?   197.333   7.8866      ?      ? 
1 1 1  -12    2   19 o  509.871   6.5846  702.420   18.126  683.777   25.001  723.075   26.316  502.756   9.2028  516.986   9.4201 -14.23001 13.16926 
1 1 1  -12    2   20 o  170.166   4.0597   78.221   3.7309   76.816   5.1751   79.742   5.3837  168.576   5.6812  171.755   5.8007 -3.179459 8.119351 
1 1 1  -12    2   21 o  646.411   8.0652  1130.69   28.167  1118.19   39.427  1143.71   40.255  642.770   11.352  650.052   11.460 -7.282349 16.13033 
1 1 1  -12    2   22 o  603.819   7.5993  986.287   24.789  998.727   35.527  974.484   34.605  607.522   10.822  600.116   10.671 7.406006 15.19853 
1 1 1  -12    2   23 o  356.437   5.0946  343.329   9.8096  349.208   14.087  337.793   13.668  359.397   7.2536  353.477   7.1559 5.919769 10.18929 
1 1 1  -12    2   24 o  762.244   9.3631  1572.56   38.561  1587.55   55.054  1558.12   54.028  765.802   13.304  758.685   13.179 7.117310 18.72629 
1 1 1  -12    2   25 o  554.013   7.0937  830.130   21.236  828.143   29.991  832.129   30.075  553.348   10.030  554.678   10.034 -1.329834 14.18743 
1 1 1  -12    2   26 o  729.751   9.0136  1441.10   35.544  1440.99   50.252  1441.20   50.281  729.725   12.744  729.777   12.750 -0.5187988E-01 18.02717 
1 1 1  -12    2   27 o  620.032   7.8241  1039.50   26.208  1026.40   36.597  1053.30   37.550  616.026   10.994  624.038   11.135 -8.011963 15.64826 
1 1 1  -12    2   28 o  293.214   4.8189  232.303   7.6338  228.728   10.672  236.048   10.924  290.905   6.7893  295.523   6.8404 -4.617737 9.637740 
1 1 1  -12    2   29 o  799.656   9.8090  1730.15   42.382  1717.34   59.523  1743.32   60.362  796.659   13.827  802.654   13.917 -5.995789 19.61796 
1 1 1  -12    2   30 o  375.852   5.4517  381.868   11.072  380.597   15.659  383.138   15.658  375.226   7.7231  376.477   7.6967 -1.251312 10.90344 
1 1 1  -12    2   31 o  500.168   6.6399  676.386   17.945  672.528   25.203  680.352   25.555  498.723   9.3522  501.613   9.4281 -2.889587 13.27979 
1 1 1  -12    2   32 o  925.933   11.261  2320.54   56.320  2359.40   81.007  2284.19   78.357  933.413   16.060  918.452   15.788 14.96130 22.52123 
1 1 1  -12    2   33 o  1096.38   13.224  3258.03   78.335  3227.91  109.747  3289.32  111.847  1091.23   18.612  1101.52   18.791 -10.29541 26.44797 
1 1 1  -12    2   34 o  1344.35   16.121  4910.32  117.107  4887.90  164.764  4933.20  166.478  1341.27   22.733  1347.43   22.865 -6.156372 32.24257 
1 1 1  -12    2   35 o  370.938   5.6829  371.948   11.388  376.553   16.317  367.573   15.903  373.174   8.0915  368.701   7.9819 4.472473 11.36587 
1 1 1  -12    2   36 o  736.973   9.2190  1465.59   36.620  1407.04   49.693  1535.17   54.173  720.951   12.756  752.995   13.314 -32.04437 18.43804 
1 1 1  -12    2   37 o  410.984   6.1318  456.740   13.616  462.716   19.401  450.938   19.115  413.633   8.6802  408.335   8.6631 5.297760 12.26353 
1 1 1  -12    2   38 o  514.715   7.0094  716.508   19.491  705.682   27.202  727.931   27.942  510.724   9.8566  518.705   9.9688 -7.980988 14.01889 
1 1 1  -12    2   39 o  493.067   6.8189  657.756   18.168  654.976   25.624  660.566   25.763  492.019   9.6376  494.114   9.6491 -2.094482 13.63773 
1 1 1  -12    2   40 o  113.837   10.069   36.305   5.7438   23.632   7.9798   49.931   8.2742   91.888   16.686  135.786   11.277 -43.89841 20.13884 
1 1 1  -12    2   41 o  558.151   7.4375  843.418   22.431  837.735   31.538  849.235   31.910  556.252   10.493  560.051   10.544 -3.799072 14.87509 
1 1 1  -12    2   42 o  282.432   5.7701  215.130   8.7908  229.606   12.895  202.560   12.016  291.276   8.1926  273.587   8.1277 17.68903 11.54028 
1 1 1  -12    2   43 o  246.293   5.7783  164.239   7.6872  169.333   10.861  159.126   10.881  250.128   8.0360  242.458   8.3053 7.669876 11.55658 
1 1 1  -12    2   44 o  658.802   8.4377  1177.70   30.037  1176.91   42.426  1178.49   42.533  658.583   11.922  659.020   11.944 -0.4370728 16.87532 
1 1 1  -12    2   45 o  424.497   7.6491  485.462   16.509  499.324   28.894  478.743   20.116  428.662   12.474  420.332   8.8566 8.330078 15.29818 
1 1 1  -12    2   48 o   69.043   15.357   12.975   6.2338   13.709   10.281   12.548   7.8394   71.153   23.242   66.934   20.078 4.219185 30.71363 
1 1 1  -12    2   49 o  168.006   6.6638   76.430   6.0387   82.731   8.8290   70.892   8.2776  174.496   9.3635  161.517   9.4841 12.97839 13.32752 
1 1 1  -12    2   50 o  467.395   6.6304  593.888   16.743  583.802   23.403  604.463   23.963  463.341   9.3472  471.450   9.4064 -8.108765 13.26086 
1 1 1  -12    2   51 o  164.520   6.7647   73.784   6.0085   70.504   8.5227   77.024   8.4723  160.850   9.8055  168.191   9.3220 -7.342056 13.52948 
1 1 1  -12    2   52 o  149.081   7.0750   60.920   5.6709   55.000   8.1244   66.544   7.9192  141.898   10.596  156.264   9.3785 -14.36621 14.15006 
1 1 1  -12    2   53 o  123.482   7.8291   41.711   5.2213   43.360   7.5207   40.177   7.2547  125.837   11.060  121.127   11.084 4.710075 15.65821 
1 1 1  -12    2   54 o  280.186   5.6139  213.724   8.4967  207.158   11.842  220.692   12.199  275.751   7.9470  284.621   7.9316 -8.870056 11.22789 
1 1 1  -12    2   55 o  102.718   9.7777   29.535   5.3494   35.181   7.5737   23.915   7.5566  112.863   12.418   92.573   15.106 20.28966 19.55545 
1 1 1  -12    2   56 o  203.604   6.0147  113.244   6.6127  115.763   9.5701  110.943   9.1476  205.739   8.6082  201.468   8.4026 4.270844 12.02932 
1 1 1  -12    2   57 o  143.545   7.1931   56.633   5.5721   58.868   8.1388   54.662   7.6448  146.170   10.304  140.921   10.039 5.249298 14.38626 
1 1 1  -12    2   58 o  216.656   5.9558  128.780   6.9682  126.893   9.9889  130.569   9.7254  215.043   8.5961  218.270   8.2457 -3.226974 11.91153 
1 1 1  -12    2   59 o   39.255   12.202  -1.7626   5.1223  -5.2532   7.1882   1.8383   7.3010   34.696   16.086   43.814   18.352 -9.117683 24.40405 
1 1 1  -12    2   60 o  128.555   8.3084   45.933   5.6652   58.845   8.3769   35.050   7.6907  145.495   10.655  111.614   12.751 33.88103 16.61688 
1 1 1  -12    2   61 o  129.168   8.4178   46.969   5.8546   42.531   8.2722   51.424   8.2872  122.802   12.466  135.534   11.315 -12.73141 16.83565 
1 1 1  -12    2   62 o  122.342   9.1839   42.606   6.0338   47.889   8.5433   37.347   8.5230  130.307   12.133  114.376   13.790 15.93170 18.36790 
1 1 1  -12    2   63 o  146.540   9.8822   61.156   7.4486   59.723   9.1918   63.896   12.712  145.404   11.699  147.676   15.930 -2.272491 19.76439 
1 1 1  -12    2   64 o  396.793   8.0901  451.869   16.437  422.748   27.516  468.027   20.496  383.626   13.274  409.960   9.2522 -26.33359 16.18011 
1 1 1  -12    2   65 o  103.415   15.695   32.097   8.7708   0.0000   0.0000   32.097   8.7708  ?   ?   103.415   15.695      ?      ? 
1 1 1  -12    2   66 o  142.208   11.058   58.186   8.0533   66.374   14.113   54.233   9.8065  147.573   17.699  136.844   13.262 10.72867 22.11597 
1 1 1  -12    2   67 o   39.886   13.188  -4.8517   7.0210  -1.4315   8.6563 -11.4279   12.003   40.399   18.323   39.374   18.973 1.024242 26.37661 
1 1 1  -12    2   68 f  135.235   9.4666   54.518   6.8933   60.675   9.9428   48.820   9.5653  143.072   12.861  127.397   13.895 15.67524 18.93310 
1 1 1  -12    2   69 o  199.190   7.2488  115.236   7.8011  117.333   11.149  113.225   10.920  200.943   10.267  197.437   10.235 3.506302 14.49752 
1 1 1  -12    3    1 f  262.315   4.0865  185.626   5.7856  192.439   8.4359  179.574   7.9499  266.852   5.8502  257.779   5.7072 9.072784 8.172976 
1 1 1  -12    3    2 o  203.383   3.7412  111.805   4.1107  110.040   5.8437  113.535   5.7837  201.793   5.3591  204.973   5.2218 -3.180237 7.482448 
1 1 1  -12    3    3 o  195.105   3.6695  102.718   3.8647  106.020   5.6213   99.759   5.3221  198.073   5.2520  192.136   5.1260 5.936325 7.338925 
1 1 1  -12    3    4 o  838.951   10.175  1904.37   46.129  1901.32   65.194  1907.42   65.278  838.279   14.392  839.622   14.388 -1.342712 20.35061 
1 1 1  -12    3    5 o  957.670   11.540  2482.56   59.716  2463.72   83.851  2501.96   85.063  953.989   16.266  961.351   16.375 -7.362427 23.08050 
1 1 1  -12    3    6 f  599.536   7.4808  972.036   24.235  969.902   34.240  974.177   34.308  598.877   10.581  600.196   10.578 -1.318542 14.96153 
1 1 1  -12    3    7 o  563.504   7.0934  857.997   21.587  839.079   29.915  878.550   31.181  557.033   9.9386  569.975   10.124 -12.94177 14.18688 
1 1 1  -12    3    8 o  269.896   4.2046  196.870   6.1316  197.534   8.7371  196.226   8.6072  270.344   5.9808  269.448   5.9115 0.8952332 8.409301 
1 1 1  -12    3    9 o  478.305   6.1857  618.233   15.981  605.847   22.224  631.496   22.998  473.349   8.6886  483.260   8.8069 -9.910858 12.37145 
1 1 1  -12    3   10 o  339.112   4.8103  310.344   8.8063  299.165   12.137  322.772   12.797  332.676   6.7515  345.549   6.8536 -12.87366 9.620521 
1 1 1  -12    3   11 o  514.805   6.5858  715.373   18.296  692.130   25.092  741.758   26.734  505.901   9.1786  523.710   9.4469 -17.80920 13.17153 
1 1 1  -12    3   12 o  371.579   5.1364  372.196   10.295  355.940   14.058  391.000   15.119  362.856   7.1696  380.301   7.3573 -17.44516 10.27289 
1 1 1  -12    3   13 o  605.284   7.5756  990.442   24.764  970.239   34.334  1012.35   35.752  598.863   10.610  611.706   10.816 -12.84216 15.15117 
1 1 1  -12    3   14 o  550.525   6.9874  819.646   20.783  810.131   29.084  829.575   29.710  547.264   9.8349  553.786   9.9282 -6.522278 13.97478 
1 1 1  -12    3   15 o  860.387   12.889  1989.46   55.712  1957.88   67.113  2059.46   99.914  850.138   14.609  870.635   21.237 -20.49707 25.77710 
1 1 1  -12    3   16 o  473.770   12.461  607.658   31.902   0.0000   0.0000  607.658   31.902  ?   ?   473.770   12.461      ?      ? 
1 1 1  -12    3   18 o  427.354   11.410  494.369   26.350   0.0000   0.0000  494.369   26.350  ?   ?   427.354   11.410      ?      ? 
1 1 1  -12    3   19 o  239.610   4.2234  154.860   5.4622  147.618   7.5143  162.975   7.9537  233.683   5.9508  245.537   5.9947 -11.85349 8.446766 
1 1 1  -12    3   20 o  603.933   7.5974  986.687   24.787  972.934   34.585  1001.21   35.544  599.614   10.674  608.253   10.814 -8.638550 15.19478 
1 1 1  -12    3   21 o  361.322   5.1366  352.892   10.027  357.560   14.340  348.427   14.026  363.658   7.2976  358.986   7.2307 4.671967 10.27320 
1 1 1  -12    3   22 o  572.437   7.2667  886.461   22.476  893.166   32.026  879.954   31.552  574.567   10.315  570.307   10.238 4.259705 14.53346 
1 1 1  -12    3   23 f  444.553   5.9576  534.290   14.309  528.199   20.041  540.626   20.438  441.970   8.3914  447.136   8.4590 -5.165833 11.91510 
1 1 1  -12    3   24 o  720.810   8.9057  1406.11   34.687  1401.13   48.901  1411.15   49.211  719.529   12.577  722.091   12.612 -2.562744 17.81137 
1 1 1  -12    3   25 o  127.238   5.0618   43.906   3.4689   46.906   4.8380   40.731   4.9764  131.730   6.7967  122.746   7.5028 8.983360 10.12356 
1 1 1  -12    3   26 o  983.415   11.890  2619.56   63.176  2598.00   88.574  2641.88   90.136  979.309   16.738  987.521   16.891 -8.212524 23.77962 
1 1 1  -12    3   27 o  647.984   8.1293  1135.70   28.464  1132.62   40.154  1138.82   40.356  647.101   11.483  648.868   11.510 -1.766357 16.25858 
1 1 1  -12    3   28 o  903.524   10.983  2209.55   53.620  2227.10   76.443  2192.56   75.233  907.048   15.596  900.001   15.469 7.046997 21.96690 
1 1 1  -12    3   29 o  828.734   10.137  1858.33   45.387  1838.97   63.509  1878.54   64.886  824.331   14.258  833.138   14.413 -8.806824 20.27327 
1 1 1  -12    3   30 o  266.540   4.8546  192.025   6.9920  192.138   9.9213  191.913   9.8553  266.617   6.8864  266.462   6.8446 0.1553040 9.709291 
1 1 1  -12    3   31 o  991.221   11.997  2661.05   64.256  2681.99   91.566  2640.74   90.193  995.053   17.029  987.389   16.904 7.663452 23.99486 
1 1 1  -12    3   32 o  631.201   8.0106  1077.66   27.322  1082.63   38.791  1072.77   38.489  632.644   11.347  629.759   11.310 2.885376 16.02124 
1 1 1  -12    3   33 o  331.479   5.4307  296.753   9.7219  288.540   13.473  305.673   14.042  326.701   7.6319  336.257   7.7281 -9.556793 10.86137 
1 1 1  -12    3   34 o  587.495   7.5899  933.474   24.090  921.052   33.647  946.540   34.506  583.490   10.671  591.500   10.796 -8.009338 15.17980 
1 1 1  -12    3   35 f  811.220   10.015  1782.02   43.892  1800.61   62.749  1764.21   61.419  815.350   14.242  807.090   14.083 8.260193 20.02901 
1 1 1  -12    3   36 o   52.199   13.802   5.4789   5.2472   4.7026   7.3130   6.3027   7.5332   50.448   19.268   53.949   19.766 -3.500607 27.60300 
1 1 1  -12    3   37 o  1097.27   13.287  3268.42   78.782  3274.75  111.629  3262.14  111.201  1098.33   18.809  1096.22   18.773 2.105835 26.57388 
1 1 1  -12    3   38 o  495.542   6.8430  664.246   18.323  657.641   25.745  671.024   26.083  493.047   9.6629  498.037   9.6919 -4.989563 13.68594 
1 1 1  -12    3   39 o  595.449   7.7885  959.723   25.059  951.326   35.223  968.330   35.659  592.813   10.996  598.084   11.034 -5.270264 15.57700 
1 1 1  -12    3   40 o  336.957   5.8493  306.879   10.645  316.016   15.347  298.407   14.779  341.785   8.3096  332.130   8.2345 9.655090 11.69860 
1 1 1  -12    3   41 o  265.125   5.8630  189.890   8.3933  181.866   11.612  198.670   12.146  259.269   8.2880  270.982   8.2951 -11.71259 11.72602 
1 1 1  -12    3   42 o  496.175   6.8641  665.180   18.373  692.882   26.953  641.136   25.111  505.783   9.8616  486.568   9.5505 19.21558 13.72817 
1 1 1  -12    3   43 o  168.680   6.7730   76.886   6.1655   82.320   8.9571   71.993   8.4995  174.334   9.5081  163.027   9.6482 11.30675 13.54597 
1 1 1  -12    3   44 o  559.709   7.4482  849.233   22.525  839.279   31.617  859.494   32.099  556.382   10.516  563.036   10.550 -6.654419 14.89632 
1 1 1  -12    3   45 o  485.901   9.5828  641.542   25.141  663.513   36.458  621.622   34.715  493.795   13.663  478.008   13.440 15.78726 19.16553 
1 1 1  -12    3   47 o  236.603   12.369  152.432   15.814  152.432   15.814   0.0000   0.0000  236.603   12.369  ?   ?       ?      ? 
1 1 1  -12    3   48 o  166.291   8.5954   73.303   7.1478   80.946   13.111   70.071   8.5262  172.023   14.105  160.559   9.8272 11.46407 17.19074 
1 1 1  -12    3   49 o  443.659   6.4336  533.753   15.402  551.149   22.515  518.453   21.115  450.401   9.2510  436.917   8.9434 13.48447 12.86722 
1 1 1  -12    3   50 o  178.970   6.4920   87.404   6.2476   83.502   9.1778   90.774   8.5287  175.169   9.6960  182.772   8.6355 -7.603226 12.98398 
1 1 1  -12    3   51 o  305.185   5.6231  252.186   9.2418  263.717   13.756  242.699   12.477  311.471   8.1730  298.898   7.7252 12.57333 11.24613 
1 1 1  -12    3   52 o  282.292   5.6265  216.760   8.5717  214.624   12.408  218.710   11.855  280.912   8.1740  283.671   7.7341 -2.759369 11.25307 
1 1 1  -12    3   53 o  261.503   5.6222  185.951   7.9292  188.209   11.611  183.977   10.854  262.937   8.1721  260.069   7.7236 2.868561 11.24443 
1 1 1  -12    3   54 o  298.085   5.6306  241.995   9.0622  244.992   13.117  239.258   12.535  299.807   8.0964  296.363   7.8271 3.444092 11.26129 
1 1 1  -12    3   55 o   74.636   12.843   16.699   5.1997   12.450   7.7132   20.239   7.0398   65.584   19.970   83.687   16.152 -18.10325 25.68501 
1 1 1  -12    3   56 o  155.709   7.0672   66.579   5.9399   67.443   8.6257   65.799   8.1917  156.617   10.192  154.800   9.7930 1.816772 14.13444 
1 1 1  -12    3   57 f  125.299   8.0978   43.483   5.4744   43.124   7.9447   43.808   7.5541  124.716   11.789  125.882   11.105 -1.165649 16.19568 
1 1 1  -12    3   58 o  228.600   5.9226  143.171   7.3095  134.998   10.169  151.909   10.514  221.813   8.4840  235.387   8.2662 -13.57452 11.84517 
1 1 1  -12    3   59 f  183.546   6.6326   92.876   6.5763   90.609   9.3260   95.118   9.2747  181.263   9.5214  185.829   9.2363 -4.566666 13.26520 
1 1 1  -12    3   60 o   91.502   11.801   24.542   5.5958   34.486   8.2846   16.199   7.5885  110.255   13.906   72.750   19.071 37.50472 23.60211 
1 1 1  -12    3   61 o   85.536   12.589   22.038   5.6090   24.039   8.3921   20.422   7.5406   88.973   18.072   82.099   17.530 6.873230 25.17748 
1 1 1  -12    3   62 o  175.775   8.5849   84.592   7.7669   79.140   9.4993   95.586   13.490  168.444   10.436  183.105   13.634 -14.66023 17.16973 
1 1 1  -12    3   63 o  156.297   9.3348   66.195   7.5034   82.432   13.260   58.545   9.1008  168.706   14.545  143.888   11.705 24.81760 18.66969 
1 1 1  -12    3   64 o  153.619   9.5773   66.428   7.5931   73.671   13.043   62.715   9.3387  158.523   15.227  148.715   11.621 9.807587 19.15453 
1 1 1  -12    3   65 f   61.057   14.278   10.875   6.0394   3.4822   8.3131   19.138   8.7889   46.461   19.528   75.653   20.836 -29.19182 28.55677 
1 1 1  -12    3   66 o  146.142   10.463   57.636   7.8485   81.216   14.065   46.973   9.4581  165.242   15.752  127.042   13.777 38.19911 20.92666 
1 1 1  -12    3   67 o  132.762   10.361   53.919   7.1293   72.429   10.359   37.261   9.8270  156.857   12.221  108.666   16.736 48.19128 20.72289 
1 1 1  -12    3   68 o   82.793   16.157   24.929   7.2231   24.746   8.7730   25.315   12.727   85.696   19.397   79.890   25.845 5.806046 32.31405 
1 1 1  -12    3   69 o   44.082   13.627   2.8082   6.2748  -0.6499   9.3379   5.6553   8.4729   41.050   18.777   47.114   19.754 -6.063831 27.25412 
1 1 1  -12    4    2 o  436.060   5.7603  513.801   13.569  504.156   18.924  524.007   19.467  431.851   8.1096  440.269   8.1828 -8.418030 11.52061 
1 1 1  -12    4    3 o  576.056   10.212  897.378   31.789   0.0000   0.0000  897.378   31.789  ?   ?   576.056   10.212      ?      ? 
1 1 1  -12    4    5 o  490.565   8.9137  650.688   23.629   0.0000   0.0000  650.688   23.629  ?   ?   490.565   8.9137      ?      ? 
1 1 1  -12    4    6 o  450.116   8.3241  547.777   20.246   0.0000   0.0000  547.777   20.246  ?   ?   450.116   8.3241      ?      ? 
1 1 1  -12    4    7 o  841.011   10.213  1914.58   46.403  1890.33   64.819  1940.07   66.460  835.561   14.356  846.460   14.530 -10.89905 20.42592 
1 1 1  -12    4    8 o  233.570   4.0144  147.473   5.0658  145.711   7.2040  149.198   7.1248  232.188   5.7417  234.952   5.6119 -2.763763 8.028728 
1 1 1  -12    4    9 o  122.012   4.0483   40.322   2.6628   38.579   3.8455   41.929   3.6909  119.471   5.9566  124.554   5.4839 -5.083496 8.096551 
1 1 1  -12    4   10 o  171.331   5.5140   79.337   5.1050   79.337   5.1050   0.0000   0.0000  171.331   5.5140  ?   ?       ?      ? 
1 1 1  -12    4   11 o  349.022   4.9280  329.302   9.2940  326.977   13.117  331.647   13.170  347.785   6.9799  350.260   6.9585 -2.475189 9.855952 
1 1 1  -12    4   12 o  508.611   6.5354  699.552   17.960  704.131   25.598  695.114   25.205  510.247   9.2839  506.974   9.2007 3.273102 13.07071 
1 1 1  -12    4   13 o  255.178   4.2056  176.017   5.7983  175.298   8.2607  176.716   8.1406  254.663   6.0029  255.693   5.8918 -1.029922 8.411204 
1 1 1  -12    4   14 o  882.626   13.144  2112.99   59.059  2111.38   72.282  2116.22  102.436  882.752   15.153  882.501   21.481 0.2509766 26.28762 
1 1 1  -12    4   15 o  592.628   10.603  947.307   33.832  1000.68   50.493  903.829   45.575  607.662   15.377  577.594   14.602 30.06781 21.20565 
1 1 1  -12    4   17 o  261.268   8.4574  184.617   11.940   0.0000   0.0000  184.617   11.940  ?   ?   261.268   8.4574      ?      ? 
1 1 1  -12    4   18 o  505.066   7.9929  690.582   20.616  690.718   25.314  690.315   35.526  505.296   9.2709  504.837   13.023 0.4589844 15.98585 
1 1 1  -12    4   19 o  166.665   4.1319   75.165   3.7149   70.066   5.2501   80.277   5.2571  160.996   6.0349  172.333   5.6453 -11.33783 8.263722 
1 1 1  -12    4   20 o  393.989   5.4430  419.716   11.588  417.298   16.333  422.166   16.443  392.846   7.6942  395.131   7.7010 -2.284332 10.88606 
1 1 1  -12    4   21 o  652.759   8.1469  1152.97   28.732  1139.06   40.208  1167.49   41.073  648.740   11.470  656.779   11.573 -8.038513 16.29388 
1 1 1  -12    4   22 o  414.658   5.6705  464.708   12.702  456.003   17.711  473.928   18.227  410.663   7.9813  418.654   8.0570 -7.990417 11.34090 
1 1 1  -12    4   23 o  462.082   6.1444  577.357   15.342  574.830   21.630  579.915   21.764  461.065   8.6819  463.099   8.6971 -2.034454 12.28883 
1 1 1  -12    4   24 o  719.646   8.9005  1401.48   34.610  1393.90   48.703  1409.21   49.193  717.684   12.558  721.608   12.616 -3.924255 17.80102 
1 1 1  -12    4   25 o  456.009   6.1150  562.061   15.064  569.378   21.617  555.154   21.003  458.890   8.7175  453.128   8.5776 5.762665 12.22991 
1 1 1  -12    4   26 o  657.159   8.2217  1168.20   29.196  1169.60   41.361  1166.82   41.218  657.549   11.641  656.769   11.614 0.7797852 16.44344 
1 1 1  -12    4   27 o  656.692   8.2356  1165.79   29.211  1186.24   42.080  1146.77   40.582  662.239   11.759  651.144   11.534 11.09534 16.47125 
1 1 1  -12    4   28 o  487.102   6.4719  641.472   17.035  642.411   24.142  640.541   24.040  487.456   9.1655  486.747   9.1398 0.7090759 12.94385 
1 1 1  -12    4   29 o  818.579   10.031  1813.19   44.364  1829.84   63.365  1797.19   62.134  822.255   14.261  814.902   14.110 7.352844 20.06201 
1 1 1  -12    4   30 o  944.421   11.461  2414.89   58.480  2389.48   81.822  2441.42   83.612  939.356   16.120  949.487   16.296 -10.13092 22.92189 
1 1 1  -12    4   31 o  887.766   10.830  2133.57   51.950  2116.75   72.897  2150.93   74.055  884.219   15.257  891.313   15.376 -7.094360 21.66052 
1 1 1  -12    4   32 o  615.471   7.8524  1024.48   26.113  1014.72   36.615  1034.58   37.252  612.492   11.063  618.450   11.147 -5.957520 15.70489 
1 1 1  -12    4   33 o  592.596   7.6267  949.539   24.415  934.380   34.022  965.633   35.056  587.727   10.713  597.465   10.858 -9.738464 15.25337 
1 1 1  -12    4   34 o  541.903   7.1451  794.367   20.922  795.663   29.696  793.089   29.482  542.340   10.133  541.466   10.076 0.8745117 14.29026 
1 1 1  -12    4   35 o  387.864   5.8987  406.789   12.363  405.148   17.427  408.452   17.540  387.077   8.3319  388.651   8.3521 -1.574554 11.79736 
1 1 1  -12    4   36 o  227.845   5.8642  140.467   7.2025  128.151   10.109  153.165   10.265  217.688   8.5937  238.002   7.9814 -20.31355 11.72836 
1 1 1  -12    4   37 o  151.760   7.5648   62.206   6.1964   58.295   8.5716   66.487   8.9678  146.771   10.808  156.749   10.588 -9.978470 15.12957 
1 1 1  -12    4   38 o  664.231   8.4878  1194.03   30.458  1213.06   43.661  1175.97   42.510  669.380   12.071  659.082   11.936 10.29803 16.97567 
1 1 1  -12    4   39 o  217.549   6.2237  127.983   7.3141  123.676   10.233  132.481   10.458  213.807   8.8570  221.291   8.7458 -7.483719 12.44733 
1 1 1  -12    4   40 o  598.169   7.8321  966.614   25.270  1004.79   37.112  933.618   34.504  609.129   11.275  587.208   10.874 21.92163 15.66425 
1 1 1  -12    4   41 o  325.296   5.7919  286.185   10.178  277.608   14.234  295.159   14.560  320.309   8.2239  330.283   8.1581 -9.973999 11.58388 
1 1 1  -12    4   42 o  891.763   10.980  2162.09   52.908  2171.47   75.215  2152.90   74.438  893.661   15.575  889.866   15.481 3.794800 21.95999 
1 1 1  -12    4   43 o  320.721   5.7297  278.223   9.9244  284.417   14.329  272.513   13.759  324.143   8.1809  317.298   8.0245 6.844635 11.45945 
1 1 1  -12    4   44 o  272.754   6.8439  201.727   9.4824  201.329   16.505  201.923   11.585  272.409   11.213  273.099   7.8504 -0.6907959 13.68782 
1 1 1  -12    4   45 o   63.971   16.481   7.8221   7.8648   0.5336   11.045   15.320   11.202   52.663   22.341   75.280   24.236 -22.61628 32.96250 
1 1 1  -12    4   47 o  509.100   9.9692  707.686   27.420  711.487   39.222  704.054   38.347  510.389   14.221  507.810   13.975 2.578705 19.93834 
1 1 1  -12    4   48 o  302.524   7.0294  248.661   10.737  249.324   18.924  248.347   13.039  302.483   11.578  302.565   7.9751 -0.8276367E-01 14.05871 
1 1 1  -12    4   49 o  364.253   5.9010  360.211   11.613  353.748   16.463  366.612   16.383  360.981   8.4400  367.525   8.2495 -6.543732 11.80202 
1 1 1  -12    4   50 o  315.576   5.6859  270.416   9.6929  260.975   13.607  280.144   13.811  309.967   8.1235  321.184   7.9578 -11.21619 11.37182 
1 1 1  -12    4   51 o  177.375   6.4785   85.945   6.1890   79.608   8.8707   91.955   8.6390  170.915   9.6048  183.834   8.6967 -12.91841 12.95701 
1 1 1  -12    4   52 o  178.129   6.3837   86.446   6.1410   86.279   8.8319   86.603   8.5446  177.937   9.1854  178.322   8.8675 -0.3852844 12.76730 
1 1 1  -12    4   53 o  243.633   5.6768  161.632   7.4721  159.644   10.632  163.573   10.503  242.129   8.1260  245.136   7.9293 -3.007187 11.35367 
1 1 1  -12    4   54 o  207.340   5.9536  117.098   6.6623  125.527   9.6140  109.310   9.2408  214.538   8.2931  200.143   8.5444 14.39484 11.90719 
1 1 1  -12    4   55 o   82.671   11.872   20.168   5.1884   13.563   7.4708   26.322   7.2111   68.001   19.386   97.342   13.709 -29.34103 23.74406 
1 1 1  -12    4   56 o   85.387   11.823   21.583   5.2843   15.906   7.6885   26.665   7.2749   73.054   19.218   97.721   13.777 -24.66689 23.64612 
1 1 1  -12    4   57 o  116.564   8.9484   37.812   5.6197   38.172   8.2858   37.506   7.6473  116.949   13.111  116.178   12.181 0.7709122 17.89679 
1 1 1  -12    4   58 o  143.353   7.8417   57.066   6.0550   56.486   8.8969   57.567   8.2641  142.512   11.553  144.193   10.606 -1.680801 15.68333 
1 1 1  -12    4   59 o   59.898   13.805   10.283   5.3076   6.5530   7.6596   13.729   7.3615   52.398   19.789   67.399   19.254 -15.00091 27.61023 
1 1 1  -12    4   60 o  174.686   6.8294   84.413   6.4386   85.725   9.3698   83.239   8.8625  175.884   9.8586  173.489   9.4536 2.394943 13.65881 
1 1 1  -12    4   61 o  141.860   9.3733   54.419   6.9660   46.527   8.6496   68.986   11.751  128.331   12.473  155.389   13.995 -27.05832 18.74657 
1 1 1  -12    4   62 o   63.216   14.328   12.208   5.7063   8.4772   8.4479   15.338   7.7384   56.234   20.873   70.199   19.633 -13.96503 28.65557 
1 1 1  -12    4   63 o   88.713   13.951   20.542   6.6487   41.622   11.958   11.110   7.9991  117.057   18.905   60.368   20.520 56.68903 27.90122 
1 1 1  -12    4   64 o  157.661   8.0543   70.853   6.8049   60.948   9.6358   80.709   9.6115  146.054   12.209  169.268   10.508 -23.21463 16.10851 
1 1 1  -12    4   65 o  210.498   6.6971  124.413   7.6152  120.380   10.728  128.510   10.812  206.956   9.5927  214.039   9.3479 -7.083710 13.39418 
1 1 1  -12    4   66 o  426.720   6.7884  509.216   15.630  485.776   21.401  536.008   22.880  416.366   9.5121  437.073   9.6875 -20.70697 13.57675 
1 1 1  -12    4   67 o  152.011   10.718   72.922   8.2662   67.275   13.835   76.057   10.308  143.518   17.840  160.505   11.885 -16.98718 21.43670 
1 1 1  -12    4   68 o  152.525   10.253   68.518   8.1009   63.664   9.9943   77.815   13.832  146.911   12.590  158.139   16.187 -11.22749 20.50632 
1 1 1  -12    4   69 o   77.970   16.547   23.603   7.2386   21.690   8.8467   27.477   12.591   76.421   20.846   79.518   25.705 -3.096550 33.09494 
1 1 1  -12    5    1 o  132.961   5.4427   47.779   3.9105   0.0000   0.0000   47.779   3.9105  ?   ?   132.961   5.4427      ?      ? 
1 1 1  -12    5    2 o  210.753   3.9298  120.040   4.4740  120.231   6.4098  119.859   6.2477  210.916   5.6240  210.590   5.4903 0.3254242 7.859594 
1 1 1  -12    5    3 o  595.599   7.4813  959.535   24.077  962.195   34.232  956.930   33.871  596.413   10.622  594.784   10.538 1.628540 14.96263 
1 1 1  -12    5    4 o  324.676   4.7248  284.525   8.2831  273.382   11.452  296.749   11.995  318.020   6.6643  331.331   6.6994 -13.31161 9.449563 
1 1 1  -12    5    5 o  567.159   7.1655  869.977   21.960  862.854   30.876  877.267   31.238  564.812   10.117  569.507   10.151 -4.695435 14.33109 
1 1 1  -12    5    6 o  346.162   4.9171  323.917   9.1973  320.500   12.978  327.364   13.036  344.328   6.9750  347.996   6.9325 -3.668457 9.834164 
1 1 1  -12    5    7 o  438.610   5.8126  520.082   13.776  513.717   19.341  526.636   19.626  435.888   8.2112  441.333   8.2294 -5.445801 11.62529 
1 1 1  -12    5    8 o  950.490   11.483  2447.39   58.966  2418.20   82.434  2477.98   84.381  944.702   16.148  956.277   16.330 -11.57440 22.96557 
1 1 1  -12    5    9 o  547.741   6.9634  811.412   20.609  804.240   28.965  818.765   29.330  545.291   9.8301  550.191   9.8654 -4.899841 13.92689 
1 1 1  -12    5   10 o  519.974   6.6701  731.249   18.741  729.842   26.508  732.654   26.501  519.473   9.4434  520.474   9.4226 -1.000977 13.34029 
1 1 1  -12    5   11 o  525.085   6.7343  745.645   19.107  738.766   26.826  752.727   27.219  522.629   9.4991  527.541   9.5485 -4.912354 13.46870 
1 1 1  -12    5   12 o  391.637   5.3737  414.326   11.364  424.102   16.447  405.395   15.720  396.051   7.6851  387.223   7.5130 8.827362 10.74738 
1 1 1  -12    5   13 o  589.078   9.0992  941.776   27.416  946.601   33.762  932.432   46.977  591.497   10.563  586.659   14.819 4.838257 18.19834 
1 1 1  -12    5   14 o  346.405   7.0735  324.352   13.230  331.306   19.163  318.018   18.288  349.944   10.134  342.866   9.8711 7.078156 14.14704 
1 1 1  -12    5   16 o  363.108   10.176  356.757   19.966   0.0000   0.0000  356.757   19.966  ?   ?   363.108   10.176      ?      ? 
1 1 1  -12    5   17 o  615.401   9.4498  1027.74   29.772  1031.61   36.686  1020.27   50.952  617.364   10.997  613.439   15.371 3.924683 18.89965 
1 1 1  -12    5   18 o  502.125   6.5216  681.674   17.689  668.246   24.635  695.967   25.416  497.027   9.1725  507.224   9.2730 -10.19760 13.04313 
1 1 1  -12    5   19 o  609.207   7.6708  1004.11   25.249  991.560   35.357  1017.17   36.067  605.327   10.809  613.086   10.887 -7.759216 15.34160 
1 1 1  -12    5   20 o  209.868   4.1972  119.082   4.7571  118.257   6.8334  119.858   6.6264  209.161   6.0460  210.575   5.8235 -1.414124 8.394496 
1 1 1  -12    5   21 o  327.982   4.9110  290.829   8.7033  288.161   12.323  293.484   12.293  326.480   6.9853  329.484   6.9048 -3.003967 9.821918 
1 1 1  -12    5   22 o  836.885   10.221  1896.69   46.222  1901.21   65.555  1892.22   65.182  837.874   14.479  835.896   14.431 1.977600 20.44226 
1 1 1  -12    5   23 o  146.188   4.6687   57.773   3.6851   54.801   5.1831   60.810   5.2404  142.384   6.7366  149.991   6.4657 -7.606277 9.337385 
1 1 1  -12    5   24 o  573.985   7.3211  891.040   22.706  896.378   32.331  885.844   31.895  575.679   10.393  572.291   10.314 3.388000 14.64223 
1 1 1  -12    5   25 o  573.307   7.3336  888.902   22.719  885.559   32.011  892.295   32.248  572.222   10.353  574.392   10.390 -2.170349 14.66726 
1 1 1  -12    5   26 o  1351.78   16.165  4958.65  118.075  4953.74  166.875  4963.57  167.092  1351.11   22.857  1352.45   22.864 -1.338013 32.32907 
1 1 1  -12    5   27 o  430.986   5.9379  501.162   13.812  482.706   18.978  521.953   20.142  422.567   8.3110  439.405   8.4829 -16.83820 11.87574 
1 1 1  -12    5   28 o  794.226   9.7573  1706.75   41.872  1693.41   58.777  1720.50   59.666  791.080   13.750  797.372   13.848 -6.291809 19.51460 
1 1 1  -12    5   29 o  272.452   4.8564  199.660   7.1308  187.180   9.6652  214.567   10.564  263.156   6.7969  281.749   6.9384 -18.59235 9.712854 
1 1 1  -12    5   30 o  502.963   6.6551  683.807   18.082  692.586   25.938  675.506   25.221  506.100   9.4846  499.826   9.3382 6.273407 13.31014 
1 1 1  -12    5   31 o  746.289   9.2576  1506.62   37.324  1487.51   52.087  1526.79   53.509  741.435   13.001  751.143   13.183 -9.708069 18.51527 
1 1 1  -12    5   32 o  1212.62   14.574  3989.05   95.490  3965.55  134.262  4013.10  135.839  1209.02   20.551  1216.22   20.669 -7.197754 29.14714 
1 1 1  -12    5   33 o  727.479   9.0835  1432.27   35.704  1418.11   50.050  1446.94   50.948  723.823   12.796  731.135   12.896 -7.312134 18.16702 
1 1 1  -12    5   34 o  851.939   10.470  1966.03   48.194  1951.47   67.639  1981.03   68.686  848.746   14.748  855.131   14.864 -6.385254 20.93926 
1 1 1  -12    5   35 o  1251.05   21.309  4251.50  144.052   0.0000   0.0000  4251.50  144.052  ?   ?   1251.05   21.309      ?      ? 
1 1 1  -12    5   36 o  300.991   5.6861  244.852   9.2457  239.119   12.897  250.913   13.261  297.369   8.0261  304.613   8.0566 -7.244354 11.37217 
1 1 1  -12    5   37 o  221.631   6.0597  133.012   7.2479  126.560   10.321  139.290   10.181  216.315   8.8296  226.947   8.3016 -10.63242 12.11937 
1 1 1  -12    5   38 o  197.852   6.5278  106.416   6.9245   90.960   9.7773  121.970   9.8082  183.350   9.8685  212.355   8.5475 -29.00488 13.05552 
1 1 1  -12    5   39 o  605.100   7.8991  991.165   25.823  976.105   36.066  1007.01   36.989  600.393   11.117  609.808   11.225 -9.415588 15.79829 
1 1 1  -12    5   40 o  475.889   9.5544  612.930   24.569  612.930   24.569   0.0000   0.0000  475.889   9.5544  ?   ?       ?      ? 
1 1 1  -12    5   41 o  138.518   7.9803   51.561   5.9318   60.982   8.8046   43.730   8.0269  150.022   10.861  127.013   11.695 23.00912 15.96057 
1 1 1  -12    5   42 o  399.980   6.1355  432.962   13.254  437.882   19.099  428.392   18.408  402.161   8.7887  397.800   8.5637 4.360992 12.27100 
1 1 1  -12    5   43 o  197.665   6.3178  105.853   6.7455  102.947   9.5709  108.721   9.5084  194.960   9.0849  200.369   8.7819 -5.409180 12.63556 
1 1 1  -12    5   44 o  314.116   7.9314  267.743   13.455  269.144   19.387  266.441   18.688  314.886   11.394  313.346   11.037 1.540192 15.86289 
1 1 1  -12    5   45 o  426.385   8.9393  493.016   20.543  475.000   27.881  514.414   30.385  417.955   12.345  434.815   12.932 -16.86005 17.87856 
1 1 1  -12    5   46 o  201.091   12.801  110.113   13.910  110.113   13.910   0.0000   0.0000  201.091   12.801  ?   ?       ?      ? 
1 1 1  -12    5   47 o  332.891   8.2931  301.670   14.889  303.829   21.776  299.775   20.403  333.931   12.068  331.851   11.378 2.080719 16.58611 
1 1 1  -12    5   48 o  143.749   7.5164   56.755   5.7834   49.869   8.3958   62.973   7.9780  135.288   11.485  152.211   9.6998 -16.92252 15.03271 
1 1 1  -12    5   49 o  415.956   6.2139  469.934   13.965  475.811   19.944  464.279   19.561  418.500   8.8192  413.413   8.7564 5.086578 12.42789 
1 1 1  -12    5   50 o  102.789   9.9174   29.383   5.4382   25.347   7.9426   32.945   7.4615   95.897   15.327  109.682   12.589 -13.78457 19.83479 
1 1 1  -12    5   51 o   89.622   11.025   22.563   5.2190   21.321   7.4137   23.783   7.3483   86.371   16.486   92.872   14.642 -6.500793 22.04974 
1 1 1  -12    5   52 o  262.105   5.6126  186.898   7.9468  183.840   11.317  189.872   11.162  259.963   8.0561  264.246   7.8169 -4.282532 11.22514 
1 1 1  -12    5   53 o  231.518   5.7883  146.331   7.2265  139.699   10.396  152.531   10.052  226.357   8.4995  236.680   7.8597 -10.32317 11.57651 
1 1 1  -12    5   54 o   41.400   17.660   0.3846   6.9691   0.0000   0.0000   0.3846   6.9691  ?   ?    41.400   17.660      ?      ? 
1 1 1  -12    5   55 o  258.151   5.6456  181.699   7.8722  187.339   11.327  176.430   10.948  262.018   8.0004  254.285   7.9678 7.733383 11.29124 
1 1 1  -12    5   56 o  233.476   5.7697  149.067   7.2724  140.721   10.212  157.657   10.359  226.785   8.3329  240.167   7.9824 -13.38258 11.53931 
1 1 1  -12    5   57 o   61.021   13.519   10.713   5.2763   5.3128   7.8661   15.130   7.1140   50.879   19.835   71.162   18.373 -20.28284 27.03757 
1 1 1  -12    5   58 o   60.116   14.162   10.286   5.3551   11.371   8.1228   9.4514   7.1220   62.515   20.671   57.718   19.364 4.797504 28.32396 
1 1 1  -12    5   59 o   42.832   12.345   0.0037   5.1725  -8.8876   7.7118   7.2745   6.9737   32.930   15.690   52.734   19.064 -19.80448 24.68988 
1 1 1  -12    5   60 o  101.256   13.525   32.175   6.7838   35.150   8.4304   26.712   11.426  111.131   14.039   91.381   23.121 19.75062 27.04940 
1 1 1  -12    5   61 o  113.768   12.506   38.199   7.1956   37.170   8.9804   40.045   12.026  113.727   14.613  113.808   20.300 -0.8119965E-01 25.01249 
1 1 1  -12    5   62 o  163.010   9.4917   75.396   7.5499   76.554   14.076   74.928   8.9454  162.031   16.077  163.988   10.095 -1.957230 18.98339 
1 1 1  -12    5   63 o  348.703   6.1689  337.520   11.616  329.861   16.612  344.848   16.247  344.623   8.9207  352.783   8.5230 -8.160675 12.33774 
1 1 1  -12    5   64 o  128.486   9.3076   47.594   6.4438   52.705   9.4756   43.197   8.7888  134.984   12.991  121.989   13.333 12.99464 18.61519 
1 1 1  -12    5   65 o  262.279   6.3141  192.152   8.9459  191.447   12.798  192.826   12.510  261.692   9.0501  262.866   8.8073 -1.174011 12.62823 
1 1 1  -12    5   66 o  105.981   12.462   35.362   6.5733   55.322   9.6697   18.215   8.9626  138.183   12.950   73.780   21.296 64.40353 24.92441 
1 1 1  -12    5   67 o   41.029   13.096  -0.3679   6.2430  -3.3768   8.9792   2.4478   8.6861   38.317   17.837   43.741   19.181 -5.424850 26.19248 
1 1 1  -12    5   68 o  138.795   11.663   62.034   7.9053   55.968   13.964   64.895   9.5902  128.957   20.039  148.633   11.940 -19.67621 23.32635 
1 1 1  -12    6    2 o  166.823   4.0425   75.319   3.6384   72.962   5.2421   77.510   5.0540  164.300   5.9045  169.346   5.5229 -5.046478 8.084915 
1 1 1  -12    6    3 o  208.281   4.0628  117.282   4.5686  116.460   6.5881  118.043   6.3410  207.576   5.8735  208.985   5.6150 -1.409378 8.125662 
1 1 1  -12    6    4 o  356.727   7.1466  344.013   13.776   0.0000   0.0000  344.013   13.776  ?   ?   356.727   7.1466      ?      ? 
1 1 1  -12    6    5 o  167.893   4.0628   76.266   3.6805   74.491   5.3142   77.902   5.1024  166.012   5.9239  169.774   5.5618 -3.761841 8.125655 
1 1 1  -12    6    6 o  189.979   4.0278   97.185   4.1237  102.356   6.1100   92.859   5.5885  194.601   5.8104  185.356   5.5795 9.244949 8.055553 
1 1 1  -12    6    7 o  283.164   4.4667  216.727   6.8333  217.162   9.7627  216.310   9.5676  283.441   6.3741  282.886   6.2590 0.5545044 8.933328 
1 1 1  -12    6    8 o  172.959   5.9367   80.858   5.5485   80.858   5.5485   0.0000   0.0000  172.959   5.9367  ?   ?       ?      ? 
1 1 1  -12    6    9 o  601.501   7.5663  978.560   24.588  964.353   34.362  993.469   35.199  597.032   10.651  605.970   10.750 -8.938232 15.13267 
1 1 1  -12    6   10 f  445.037   5.9262  535.295   14.247  524.443   19.851  546.824   20.461  440.389   8.3416  449.685   8.4202 -9.295563 11.85248 
1 1 1  -12    6   11 o  697.044   10.580  1316.52   37.592  1316.78   46.078  1315.99   65.008  697.469   12.226  696.619   17.270 0.8505249 21.15928 
1 1 1  -12    6   12 o  407.401   7.8986  448.758   17.377  459.685   25.126  438.739   24.059  412.145   11.282  402.658   11.058 9.486511 15.79714 
1 1 1  -12    6   13 o  666.308   11.766  1203.56   42.351  1218.47   60.699  1189.41   59.120  670.311   16.758  662.306   16.519 8.005432 23.53100 
1 1 1  -12    6   14 o  240.831   8.7128  156.869   11.339   0.0000   0.0000  156.869   11.339  ?   ?   240.831   8.7128      ?      ? 
1 1 1  -12    6   15 o  304.685   9.1784  251.126   15.111   0.0000   0.0000  251.126   15.111  ?   ?   304.685   9.1784      ?      ? 
1 1 1  -12    6   16 o  425.778   8.1369  490.760   18.721  488.063   26.445  493.468   26.505  424.604   11.526  426.951   11.488 -2.347534 16.27371 
1 1 1  -12    6   17 o  525.505   6.7799  747.038   19.252  740.820   27.094  753.379   27.361  523.297   9.5815  527.713   9.5950 -4.416260 13.55987 
1 1 1  -12    6   18 o  893.719   10.869  2164.81   52.488  2156.06   74.002  2173.66   74.458  891.906   15.355  895.533   15.387 -3.627014 21.73729 
1 1 1  -12    6   19 o  602.127   7.6134  980.589   24.764  962.729   34.508  999.553   35.559  596.482   10.706  607.772   10.827 -11.29028 15.22680 
1 1 1  -12    6   20 o  272.639   4.5835  200.848   6.7470  203.060   9.7648  198.828   9.3334  274.072   6.5934  271.206   6.3687 2.865936 9.166968 
1 1 1  -12    6   21 o  297.368   4.7208  238.878   7.5827  230.120   10.582  248.120   10.871  291.769   6.7118  302.967   6.6404 -11.19794 9.441530 
1 1 1  -12    6   22 o  565.156   7.2383  863.113   22.091  842.117   30.591  885.995   31.936  557.986   10.146  572.327   10.326 -14.34119 14.47660 
1 1 1  -12    6   23 o  133.861   4.9879   48.468   3.6028   47.837   5.2174   49.043   4.9811  133.026   7.2582  134.696   6.8436 -1.670029 9.975797 
1 1 1  -12    6   24 o  487.991   6.4669  643.864   17.052  637.752   24.004  650.090   24.228  485.653   9.1469  490.328   9.1442 -4.675079 12.93376 
1 1 1  -12    6   25 o  788.836   9.6975  1683.94   41.336  1679.43   58.387  1688.47   58.531  787.777   13.716  789.896   13.713 -2.119385 19.39498 
1 1 1  -12    6   26 f  499.849   6.6013  675.508   17.830  675.983   25.278  675.039   25.154  500.023   9.3553  499.675   9.3160 0.3477783 13.20263 
1 1 1  -12    6   27 f  649.020   8.1690  1139.26   28.648  1142.16   40.712  1136.42   40.321  649.835   11.594  648.206   11.511 1.629089 16.33804 
1 1 1  -12    6   28 o  368.188   5.4506  366.450   10.844  365.399   15.308  367.509   15.364  367.658   7.7053  368.718   7.7113 -1.060028 10.90124 
1 1 1  -12    6   29 o  938.668   11.403  2385.59   57.828  2408.48   82.637  2363.63   80.951  943.067   16.216  934.269   16.035 8.797791 22.80511 
1 1 1  -12    6   30 o  256.752   4.9764  177.987   6.8974  173.966   9.5062  182.458   10.023  253.694   6.9344  259.809   7.1394 -6.115387 9.952703 
1 1 1  -12    6   31 o  560.672   7.2870  850.166   22.077  847.379   31.181  852.968   31.262  559.750   10.309  561.594   10.302 -1.843323 14.57398 
1 1 1  -12    6   32 o  758.393   9.4168  1556.85   38.590  1560.01   54.761  1553.73   54.390  759.154   13.349  757.631   13.285 1.523560 18.83350 
1 1 1  -12    6   33 o  784.136   9.7111  1664.96   41.147  1656.97   57.973  1673.07   58.411  782.243   13.715  786.029   13.752 -3.785950 19.42216 
1 1 1  -12    6   34 o  209.551   5.7288  118.731   6.4869  119.493   9.2084  117.979   9.1396  210.219   8.1064  208.883   8.0972 1.335892 11.45765 
1 1 1  -12    6   35 f  1220.63   14.712  4045.42   97.010  3986.20  135.175  4108.31  139.304  1211.47   20.649  1229.79   20.962 -18.31714 29.42442 
1 1 1  -12    6   36 o  389.215   6.0400  408.925   12.690  392.952   17.461  426.806   18.474  381.177   8.4771  397.252   8.6062 -16.07434 12.08008 
1 1 1  -12    6   37 o  612.190   7.9588  1014.30   26.327  1006.34   37.056  1022.41   37.411  609.766   11.246  614.614   11.264 -4.847717 15.91758 
1 1 1  -12    6   38 o  189.572   6.7206   97.285   6.8813   94.202   9.7560  100.337   9.7074  186.577   9.6767  192.567   9.3290 -5.989594 13.44129 
1 1 1  -12    6   39 o  651.162   8.3717  1147.93   29.446  1168.37   42.366  1128.82   40.954  656.753   11.938  645.571   11.740 11.18213 16.74340 
1 1 1  -12    6   40 o  579.894   7.6572  910.657   23.992  901.577   33.649  920.047   34.218  576.959   10.793  582.829   10.865 -5.870483 15.31442 
1 1 1  -12    6   41 o  584.867   7.7107  927.062   24.369  921.625   34.442  932.512   34.484  583.145   10.930  586.588   10.879 -3.442566 15.42148 
1 1 1  -12    6   42 o  549.104   7.3601  816.943   21.834  824.653   31.262  809.601   30.507  551.621   10.488  546.588   10.329 5.032410 14.72025 
1 1 1  -12    6   43 o  183.193   8.4195   93.173   7.7903   85.000   13.378   97.366   9.5828  176.817   14.001  189.570   9.3548 -12.75269 16.83903 
1 1 1  -12    6   44 o  227.328   8.2222  140.510   10.081  137.635   14.630  143.108   13.910  225.070   12.029  229.585   11.212 -4.515503 16.44448 
1 1 1  -12    6   45 o   64.804   24.827   8.1486   12.166   8.1486   12.166   0.0000   0.0000   64.804   24.827  ?   ?       ?      ? 
1 1 1  -12    6   46 o  231.324   8.4682  145.067   10.543  151.847   15.758  139.572   14.186  236.145   12.349  226.504   11.590 9.640656 16.93642 
1 1 1  -12    6   47 o  376.310   8.5498  386.170   17.382  377.477   24.611  394.820   24.552  372.041   12.242  380.578   11.938 -8.536865 17.09957 
1 1 1  -12    6   48 o   71.901   18.844   14.808   7.4101   0.0000   0.0000   14.808   7.4101  ?   ?    71.901   18.844      ?      ? 
1 1 1  -12    6   49 o  197.160   6.1918  104.652   6.5639  116.175   9.8987   95.609   8.7690  206.742   8.8606  187.579   8.6513 19.16330 12.38361 
1 1 1  -12    6   50 o  339.162   5.7693  312.169   10.550  319.937   15.522  305.499   14.383  343.023   8.3740  335.302   7.9382 7.721558 11.53861 
1 1 1  -12    6   51 o  169.214   6.6806   77.607   6.0855   87.720   8.9557   68.933   8.2946  179.430   9.2367  158.998   9.6542 20.43196 13.36117 
1 1 1  -12    6   52 o  149.687   7.1888   61.198   5.7694   61.553   8.7295   60.922   7.6877  149.968   10.772  149.406   9.5223 0.5614929 14.37752 
1 1 1  -12    6   53 o  140.513   7.5167   54.178   5.6977   53.558   8.2740   54.737   7.8576  139.682   10.962  141.344   10.288 -1.662033 15.03343 
1 1 1  -12    6   54 o  141.042   7.6656   54.717   5.8289   53.747   8.4909   55.581   8.0163  139.771   11.242  142.314   10.424 -2.543518 15.33120 
1 1 1  -12    6   55 o  359.372   5.9294  352.963   11.513  346.826   16.197  359.232   16.370  356.200   8.4148  362.544   8.3559 -6.343781 11.85874 
1 1 1  -12    6   56 o  200.913   6.2434  110.378   6.7663  115.027   9.9335  106.353   9.2420  204.803   8.9759  197.024   8.6808 7.779343 12.48689 
1 1 1  -12    6   57 o  126.977   8.3225   44.962   5.6556   43.835   8.5450   45.840   7.5446  125.287   12.622  128.667   10.851 -3.380249 16.64507 
1 1 1  -12    6   58 o  179.391   6.7094   88.266   6.4855   94.801   9.6235   82.828   8.7785  185.399   9.6059  173.383   9.3697 12.01633 13.41878 
1 1 1  -12    6   59 o  122.765   8.9872   42.479   5.9429   40.830   8.6427   43.958   8.1850  120.271   13.298  125.259   12.093 -4.987221 17.97435 
1 1 1  -12    6   60 o  242.219   7.3432  162.398   9.2238  160.079   11.501  166.577   15.442  240.789   8.8392  243.650   11.729 -2.860870 14.68642 
1 1 1  -12    6   61 o   51.907   14.565  -2.2219   6.3597   16.664   11.788  -9.9759   7.5532   72.415   24.904   31.400   15.110 41.01521 29.12999 
1 1 1  -12    6   62 o  198.374   6.8718  109.795   7.3296  107.399   10.845  111.810   9.9443  196.053   10.237  200.694   9.1696 -4.641785 13.74355 
1 1 1  -12    6   63 f  289.365   6.0792  231.593   9.4816  239.792   14.004  224.654   12.884  293.890   8.8184  284.841   8.3704 9.048798 12.15846 
1 1 1  -12    6   64 o   75.415   14.253   19.065   6.0065   15.507   8.9305   22.005   8.1167   67.976   21.614   82.854   18.587 -14.87801 28.50678 
1 1 1  -12    6   65 o  108.691   11.896   36.203   6.7363   31.188   9.6753   40.921   9.3845   99.477   18.685  117.905   14.730 -18.42847 23.79291 
1 1 1  -12    6   66 o   65.964   15.384   14.768   6.5122   11.066   9.2833   18.355   9.1379   58.960   21.882   72.968   21.629 -14.00749 30.76777 
1 1 1  -12    6   67 o   92.287   13.015   28.040   6.3635   33.494   9.2561   23.152   8.7629  102.871   16.651   81.702   20.008 21.16880 26.03046 
1 1 1  -12    6   68 o   52.731   15.617   7.2398   7.0278   12.601   12.453   4.7342   8.5130   59.095   24.287   46.366   19.639 12.72912 31.23355 
1 1 1  -12    7    1 o  497.927   6.4922  670.237   17.464  657.415   24.373  683.766   25.036  493.037   9.1482  502.817   9.2144 -9.780396 12.98442 
1 1 1  -12    7    2 o  622.013   7.8151  1046.68   26.264  1055.10   37.510  1038.59   36.787  624.461   11.116  619.565   10.988 4.895325 15.63018 
1 1 1  -12    7    3 o  445.716   5.9897  536.622   14.417  521.003   19.963  553.650   20.844  438.947   8.4164  452.485   8.5247 -13.53876 11.97941 
1 1 1  -12    7    4 o  361.101   5.1778  352.546   10.103  350.291   14.343  354.766   14.232  359.954   7.3741  362.249   7.2707 -2.295074 10.35570 
1 1 1  -12    7    5 o  171.495   4.2272   79.457   3.9127   80.256   5.6866   78.738   5.3918  172.312   6.1073  170.677   5.8462 1.634155 8.454429 
1 1 1  -12    7    6 o  438.200   5.8901  519.222   13.947  514.640   19.674  523.850   19.773  436.256   8.3459  440.143   8.3137 -3.887573 11.78015 
1 1 1  -12    7    7 o  558.377   7.1477  843.234   21.564  831.662   30.186  855.295   30.815  554.468   10.075  562.286   10.142 -7.818237 14.29545 
1 1 1  -12    7    8 o  782.998   9.6036  1660.17   40.632  1666.23   57.766  1654.24   57.162  784.406   13.628  781.590   13.535 2.815918 19.20721 
1 1 1  -12    7    9 o  426.915   7.0519  496.789   15.540  506.069   19.402  480.180   25.956  432.601   8.2997  421.229   11.403 11.37222 14.10379 
1 1 1  -12    7   10 o  147.381   6.0515   57.021   4.7353   74.572   7.3903   44.797   6.1677  166.062   8.2358  128.700   8.8687 37.36217 12.10297 
1 1 1  -12    7   11 o  521.429   9.5659  736.370   26.952  736.937   38.260  735.811   37.975  521.624   13.574  521.234   13.483 0.3903198 19.13173 
1 1 1  -12    7   12 o  611.621   10.937  1013.74   36.141  999.324   50.533  1028.83   51.710  607.180   15.402  616.061   15.533 -8.880981 21.87461 
1 1 1  -12    7   13 o  179.672   6.0405   87.267   5.8647   0.0000   0.0000   87.267   5.8647  ?   ?   179.672   6.0405      ?      ? 
1 1 1  -12    7   14 o  515.344   9.4571  718.344   26.301  740.090   38.386  699.099   36.110  522.662   13.591  508.026   13.154 14.63660 18.91427 
1 1 1  -12    7   15 o  339.379   7.1154  311.527   13.046  302.703   18.264  320.721   18.641  334.471   10.105  344.286   10.020 -9.814911 14.23087 
1 1 1  -12    7   16 o  624.680   7.8647  1055.76   26.540  1069.47   38.082  1042.82   37.008  628.612   11.211  620.748   11.033 7.864380 15.72942 
1 1 1  -12    7   17 o  386.681   5.4624  403.613   11.398  416.745   16.656  392.048   15.631  392.581   7.8514  380.781   7.5965 11.80035 10.92479 
1 1 1  -12    7   18 o  446.549   6.0214  539.271   14.529  535.322   20.532  543.232   20.563  444.911   8.5403  448.188   8.4908 -3.277283 12.04280 
1 1 1  -12    7   19 o  241.281   4.4919  157.432   5.8542  153.870   8.3301  160.908   8.2289  238.581   6.4613  243.981   6.2416 -5.399918 8.983720 
1 1 1  -12    7   20 o  885.958   10.790  2126.08   51.654  2113.72   72.689  2138.69   73.416  883.362   15.228  888.554   15.290 -5.191650 21.57973 
1 1 1  -12    7   21 o  712.882   8.8493  1375.27   34.088  1367.12   48.026  1383.54   48.393  710.756   12.504  715.008   12.525 -4.252136 17.69857 
1 1 1  -12    7   22 o  129.049   5.2218   45.078   3.6335   41.608   5.1319   48.567   5.1453  124.060   7.6553  134.038   7.1038 -9.978500 10.44356 
1 1 1  -12    7   23 o  865.262   10.559  2027.04   49.368  2025.68   69.864  2028.41   69.770  864.969   14.947  865.555   14.917 -0.5861816 21.11747 
1 1 1  -12    7   24 o  139.355   5.3055   52.009   3.9766   58.759   5.9569   46.582   5.3409  147.436   7.4771  131.273   7.5292 16.16312 10.61109 
1 1 1  -12    7   25 o  586.867   7.5134  931.283   23.824  937.209   33.979  925.552   33.413  588.701   10.681  585.034   10.569 3.667114 15.02674 
1 1 1  -12    7   26 o  590.566   7.5552  942.907   24.106  929.566   33.720  956.852   34.476  586.297   10.643  594.836   10.726 -8.538696 15.11047 
1 1 1  -12    7   27 o  429.366   5.9608  498.296   13.827  503.008   19.795  493.807   19.322  431.346   8.4927  427.386   8.3665 3.959747 11.92161 
1 1 1  -12    7   28 o  270.895   4.9172  198.407   7.1960  194.639   10.223  202.107   10.131  268.344   7.0501  273.447   6.8564 -5.102905 9.834370 
1 1 1  -12    7   29 o  506.223   6.7400  691.304   18.409  664.624   25.201  721.831   26.956  495.780   9.4068  516.666   9.6553 -20.88577 13.48005 
1 1 1  -12    7   30 o  699.741   8.7663  1324.42   33.140  1306.95   46.325  1342.72   47.430  695.022   12.335  704.459   12.460 -9.437012 17.53254 
1 1 1  -12    7   31 o  536.299   7.0956  777.684   20.560  766.532   28.768  789.326   29.394  532.373   10.000  540.226   10.069 -7.853638 14.19117 
1 1 1  -12    7   32 o  1560.76   18.694  6630.15  157.572  6504.62  218.426  6766.37  227.535  1545.49   26.155  1576.02   26.718 -30.51953 37.38850 
1 1 1  -12    7   33 o  198.104   6.0449  106.027   6.4612  114.483   9.2858   98.090   8.9962  205.758   8.3517  190.450   8.7416 15.30814 12.08988 
1 1 1  -12    7   34 o  339.784   5.7347  312.181   10.529  310.835   14.880  313.530   14.902  339.051   8.1215  340.518   8.0987 -1.467377 11.46944 
1 1 1  -12    7   35 o  839.981   10.389  1911.80   47.155  1902.44   66.490  1921.27   66.886  837.913   14.685  842.048   14.700 -4.134949 20.77797 
1 1 1  -12    7   36 o  776.370   9.7003  1632.63   40.694  1621.96   57.270  1643.51   57.834  773.812   13.696  778.927   13.740 -5.115784 19.40062 
1 1 1  -12    7   37 o  517.185   7.0656  722.768   19.730  697.993   27.248  750.076   28.607  507.886   9.9286  526.483   10.056 -18.59760 14.13120 
1 1 1  -12    7   38 o  533.443   7.2546  768.031   20.867  803.959   30.752  737.372   28.408  544.952   10.443  521.933   10.072 23.01910 14.50912 
1 1 1  -12    7   39 o  583.661   7.7010  922.478   24.288  915.426   34.304  929.567   34.393  581.421   10.919  585.901   10.863 -4.480103 15.40199 
1 1 1  -12    7   40 o  401.504   6.1872  436.264   13.421  440.647   19.224  432.098   18.744  403.464   8.8176  399.543   8.6819 3.921112 12.37440 
1 1 1  -12    7   41 o  380.277   6.0333  391.548   12.395  384.040   17.569  398.988   17.490  376.638   8.6326  383.916   8.4310 -7.277557 12.06659 
1 1 1  -12    7   42 o  564.116   9.2009  859.218   26.277  878.153   46.300  850.221   31.916  568.190   15.080  560.042   10.546 8.148376 18.40180 
1 1 1  -12    7   43 f  700.181   12.609  1338.40   47.677  1306.98   65.974  1372.75   68.975  691.667   17.652  708.695   18.011 -17.02740 25.21900 
1 1 1  -12    7   44 o  420.209   8.8176  479.556   20.004  494.595   29.048  465.991   27.588  426.437   12.606  413.981   12.333 12.45584 17.63513 
1 1 1  -12    7   45 o  345.518   8.5858  323.865   16.003  340.766   23.492  309.234   21.858  353.875   12.285  337.161   11.997 16.71411 17.17163 
1 1 1  -12    7   46 o  102.595   15.478   30.108   8.2795   31.779   12.452   28.784   11.085  105.033   22.609  100.157   21.145 4.875755 30.95628 
1 1 1  -12    7   47 o   69.112   15.671   10.649   6.3822   20.464   11.637   6.4265   7.6325   84.388   24.239   53.836   19.869 30.55231 31.34201 
1 1 1  -12    7   48 o  202.699   6.1778  111.203   6.7404  115.876   10.063  107.400   9.0779  206.513   9.0173  198.885   8.4468 7.627899 12.35561 
1 1 1  -12    7   49 o  195.478   6.2199  103.925   6.5691  102.305   9.3171  105.528   9.2633  193.948   8.8901  197.007   8.7015 -3.058548 12.43988 
1 1 1  -12    7   50 o  297.191   5.6282  239.610   9.0272  248.984   13.174  231.314   12.394  302.638   8.0560  291.744   7.8618 10.89407 11.25643 
1 1 1  -12    7   51 o  136.132   7.9502   51.116   5.7977   46.696   8.5322   54.907   7.9022  130.484   12.101  141.780   10.314 -11.29675 15.90033 
1 1 1  -12    7   52 o  113.630   8.9763   35.481   5.3837   46.447   7.9306   26.109   7.3319  130.108   11.280   97.153   13.966 32.95534 17.95251 
1 1 1  -12    7   53 o  139.199   7.5755   52.629   5.6683   59.964   8.5197   46.804   7.5927  147.820   10.666  130.578   10.761 17.24158 15.15104 
1 1 1  -12    7   54 o  179.403   6.5774   88.121   6.3714   87.428   9.1727   88.767   8.8566  178.671   9.5007  180.135   9.0987 -1.463593 13.15487 
1 1 1  -12    7   55 o  110.815   9.0503   33.955   5.3956   36.132   8.0998   32.218   7.2344  113.901   13.160  107.729   12.428 6.172165 18.10065 
1 1 1  -12    7   56 o  218.833   6.1195  131.409   7.2263  127.268   10.387  135.292   10.059  215.390   8.9247  222.277   8.3752 -6.887070 12.23902 
1 1 1  -12    7   57 f  155.879   7.1862   67.000   6.0183   68.472   9.0471   65.832   8.0604  157.242   10.648  154.516   9.6537 2.725616 14.37234 
1 1 1  -12    7   58 o  214.186   6.2865  125.948   7.2661  131.783   10.617  120.808   9.9653  218.802   8.9800  209.569   8.7999 9.232513 12.57295 
1 1 1  -12    7   59 o  179.647   8.4591   92.947   7.7647   99.309   9.7537   81.937   12.830  189.467   9.5268  169.827   13.981 19.64090 16.91828 
1 1 1  -12    7   60 o  107.499   13.399   32.561   6.7030   40.360   13.434   29.975   7.7347  112.553   22.868  102.446   13.972 10.10636 26.79821 
1 1 1  -12    7   61 o   86.433   14.167   27.884   6.9129   8.0495   13.019   35.672   8.1581   60.956   24.916  111.910   13.491 -50.95355 28.33393 
1 1 1  -12    7   62 o  186.533   6.8688   97.158   6.9047   95.801   10.098   98.349   9.4625  185.071   10.097  187.994   9.3148 -2.922241 13.73763 
1 1 1  -12    7   63 o   59.033   14.781   10.528   5.9891   7.9147   8.9939   12.611   8.0279   54.932   21.267   63.135   20.534 -8.203705 29.56240 
1 1 1  -12    7   64 f  248.076   6.3790  171.517   8.5291  183.075   12.630  161.826   11.565  255.607   9.1438  240.545   8.8971 15.06210 12.75803 
1 1 1  -12    7   66 o  184.399   7.4916   97.348   7.4266  111.598   11.091   85.768   9.9989  196.696   10.435  172.102   10.752 24.59467 14.98311 
1 1 1  -12    7   67 f  157.817   8.3255   72.632   7.0949   76.328   10.134   69.079   9.9361  161.943   11.581  153.691   11.964 8.251999 16.65101 
1 1 1  -12    7   68 o   83.031   13.646   24.141   6.6174   38.067   9.7962   12.453   8.9745  108.014   16.784   58.047   21.521 49.96717 27.29152 
1 1 1  -12    8    1 o  277.198   4.6330  207.671   6.9362  198.635   9.7316  217.000   9.8887  271.069   6.6438  283.327   6.4590 -12.25775 9.265988 
1 1 1  -12    8    2 o  519.641   6.7530  730.285   18.960  721.710   26.604  739.135   27.029  516.542   9.5314  522.739   9.5688 -6.196167 13.50591 
1 1 1  -12    8    4 o  487.252   6.4354  642.078   16.943  635.909   23.847  648.367   24.078  484.888   9.1012  489.615   9.1008 -4.726868 12.87075 
1 1 1  -12    8    5 o  281.635   4.6312  214.184   7.0422  219.958   10.215  208.956   9.7213  285.246   6.6274  278.024   6.4707 7.222168 9.262438 
1 1 1  -12    8    6 o  305.238   5.8240  244.389   8.9456  232.189   10.711  272.522   16.265  293.065   6.7636  317.411   9.4832 -24.34583 11.64807 
1 1 1  -12    8    7 o  358.732   7.3012  348.103   14.152  343.018   19.832  353.378   20.199  356.065   10.308  361.400   10.343 -5.335480 14.60242 
1 1 1  -12    8    8 o  549.902   9.9844  818.723   29.658  803.153   41.264  835.360   42.655  544.506   14.024  555.297   14.215 -10.79047 19.96886 
1 1 1  -12    8    9 o  495.995   9.1940  666.215   24.642  664.189   34.838  668.243   34.859  495.239   13.018  496.750   12.986 -1.511902 18.38809 
1 1 1  -12    8   10 o  741.003   12.972  1488.72   51.892  1449.78   71.528  1531.98   75.396  730.830   18.112  751.175   18.575 -20.34503 25.94367 
1 1 1  -12    8   11 o  294.816   5.8411  238.396   8.8281  224.279   14.853  246.107   10.978  287.923   9.5465  301.710   6.7334 -13.78665 11.68224 
1 1 1  -12    8   12 o  400.370   7.9247  433.915   17.141  432.883   24.472  434.910   24.018  399.894   11.325  400.845   11.088 -0.9508057 15.84941 
1 1 1  -12    8   13 f  376.402   7.5958  382.954   15.440  369.369   21.384  397.748   22.316  369.439   10.712  383.365   10.772 -13.92566 15.19155 
1 1 1  -12    8   14 o  225.270   6.2936  137.398   7.6532  131.982   10.916  142.635   10.733  220.892   9.1450  229.647   8.6492 -8.755722 12.58729 
1 1 1  -12    8   15 o  528.238   6.8698  754.840   19.608  755.710   27.892  753.990   27.571  528.535   9.7660  527.940   9.6645 0.5949707 13.73967 
1 1 1  -12    8   16 o  444.256   6.0334  533.770   14.483  529.839   20.516  537.676   20.449  442.623   8.5777  445.889   8.4872 -3.265991 12.06689 
1 1 1  -12    8   17 o  616.295   7.8003  1027.67   25.975  1016.81   36.483  1038.83   36.992  612.995   11.014  619.594   11.049 -6.598877 15.60065 
1 1 1  -12    8   18 o  292.576   4.8039  231.449   7.5933  227.636   10.782  235.201   10.695  290.183   6.8763  294.969   6.7100 -4.786041 9.607727 
1 1 1  -12    8   19 o  216.041   6.5727  126.163   7.6730  126.163   7.6730   0.0000   0.0000  216.041   6.5727  ?   ?       ?      ? 
1 1 1  -12    8   20 o  774.194   9.5453  1622.46   39.932  1619.88   56.489  1625.05   56.457  773.576   13.514  774.812   13.484 -1.235840 19.09059 
1 1 1  -12    8   21 o  904.795   11.029  2217.22   53.923  2216.63   76.320  2217.80   76.198  904.674   15.612  904.917   15.583 -0.2429810 22.05808 
1 1 1  -12    8   22 o  944.453   11.488  2415.80   58.626  2403.47   82.625  2428.30   83.197  942.028   16.232  946.877   16.260 -4.849548 22.97521 
1 1 1  -12    8   23 o  300.772   4.9916  244.588   8.1098  237.432   11.482  251.712   11.456  296.378   7.1697  305.165   6.9470 -8.786469 9.983231 
1 1 1  -12    8   24 o  869.577   10.634  2046.63   49.966  2040.49   70.579  2052.79   70.748  868.270   15.043  870.884   15.034 -2.613586 21.26730 
1 1 1  -12    8   25 o  921.252   11.219  2297.05   55.843  2267.55   78.113  2327.88   79.864  915.212   15.795  927.291   15.938 -12.07928 22.43897 
1 1 1  -12    8   26 o  339.355   5.2352  311.211   9.5971  314.367   13.774  308.234   13.380  341.025   7.4743  337.685   7.3324 3.340088 10.47037 
1 1 1  -12    8   27 o  127.752   6.2081   44.307   4.2675   40.432   6.1173   47.979   5.9561  122.285   9.2577  133.219   8.2738 -10.93439 12.41611 
1 1 1  -12    8   28 o  518.371   6.8787  723.208   19.209  685.269   25.953  769.166   28.564  503.416   9.5407  533.326   9.9116 -29.90991 13.75736 
1 1 1  -12    8   29 o  882.835   10.803  2110.10   51.535  2094.10   72.419  2126.52   73.354  879.449   15.239  886.222   15.318 -6.772583 21.60686 
1 1 1  -12    8   30 o  616.844   7.9158  1029.33   26.385  1024.70   37.289  1033.97   37.340  615.453   11.212  618.234   11.177 -2.780273 15.83170 
1 1 1  -12    8   31 o  1102.00   13.316  3294.22   79.294  3308.66  112.784  3280.12  111.503  1104.37   18.899  1099.63   18.765 4.741699 26.63290 
1 1 1  -12    8   32 o  888.776   10.904  2140.38   52.366  2130.90   73.836  2149.96   74.278  886.799   15.408  890.752   15.432 -3.953369 21.80727 
1 1 1  -12    8   33 o  496.159   6.8323  665.842   18.318  661.161   25.836  670.573   25.975  494.406   9.6706  497.913   9.6542 -3.507263 13.66468 
1 1 1  -12    8   34 o  858.011   10.587  1993.30   49.058  1949.75   68.015  2040.53   70.829  848.272   14.838  867.749   15.105 -19.47699 21.17406 
1 1 1  -12    8   35 o  292.955   5.7560  231.950   9.1086  223.733   12.720  240.599   13.050  287.631   8.1838  298.279   8.0964 -10.64731 11.51198 
1 1 1  -12    8   36 f  442.328   6.4849  529.093   15.497  515.269   21.708  543.461   22.131  436.436   9.2048  448.220   9.1372 -11.78418 12.96988 
1 1 1  -12    8   37 o  454.318   6.5944  558.092   16.178  570.068   23.398  547.122   22.394  458.976   9.4341  449.660   9.2163 9.315918 13.18872 
1 1 1  -12    8   38 o  321.171   5.8296  279.023   10.115  280.026   14.460  278.062   14.156  321.733   8.3172  320.610   8.1707 1.123505 11.65916 
1 1 1  -12    8   39 o  208.186   6.5116  117.402   7.2981  104.558   10.209  130.826   10.437  196.516   9.6138  219.857   8.7851 -23.34097 13.02321 
1 1 1  -12    8   40 o  327.860   5.8595  290.795   10.369  294.047   15.071  287.872   14.287  329.587   8.4622  326.133   8.1071 3.454041 11.71891 
1 1 1  -12    8   41 o  208.113   6.4489  116.349   7.2227  130.406   10.775  104.880   9.7328  219.437   9.0873  196.788   9.1527 22.64839 12.89773 
1 1 1  -12    8   42 o  107.901   14.417   32.503   8.1420   43.491   11.917   22.883   11.150  126.238   17.469   89.565   22.939 36.67294 28.83321 
1 1 1  -12    8   43 o   59.281   15.652   3.5211   7.4678   15.203   11.296  -5.5495   9.9534   75.154   24.352   43.408   19.672 31.74586 31.30494 
1 1 1  -12    8   44 f  190.945   7.9806  100.170   7.9899  103.956   10.248   94.302   12.758  195.740   9.6892  186.150   12.684 9.590271 15.96111 
1 1 1  -12    8   45 o  466.298   9.4931  593.025   23.909  592.793   34.319  593.243   33.329  466.144   13.625  466.452   13.223 -0.3077087 18.98618 
1 1 1  -12    8   46 o   97.790   15.826   27.660   8.1810   27.748   11.450   27.568   11.693   97.991   22.145   97.588   22.616 0.4025879 31.65263 
1 1 1  -12    8   47 o  418.818   6.2831  476.151   14.210  481.924   20.530  470.843   19.688  421.221   9.0196  416.415   8.7496 4.805939 12.56616 
1 1 1  -12    8   48 o  359.411   5.9274  349.238   11.474  370.862   17.089  331.488   15.483  369.452   8.5602  349.371   8.2013 20.08173 11.85485 
1 1 1  -12    8   49 o   77.475   13.083   16.980   5.4755   23.100   8.1976   12.051   7.3575   89.780   17.526   65.170   19.429 24.60909 26.16596 
1 1 1  -12    8   50 o  237.928   5.8042  152.580   7.4252  168.414   11.203  140.174   9.9162  248.814   8.3322  227.043   8.0826 21.77112 11.60834 
1 1 1  -12    8   51 o  363.000   5.9438  358.122   11.644  371.952   17.004  345.910   15.978  369.550   8.5150  356.451   8.2953 13.09946 11.88768 
1 1 1  -12    8   52 o  169.235   6.8197   78.064   6.2201   81.920   9.2090   74.828   8.4349  173.021   9.8497  165.449   9.4347 7.572662 13.63931 
1 1 1  -12    8   53 o  296.782   5.8067  240.246   9.3064  241.279   13.413  239.288   12.923  297.349   8.3479  296.214   8.0736 1.134674 11.61341 
1 1 1  -12    8   54 o   71.226   13.401   14.799   5.2919   18.417   7.8176   11.739   7.1895   78.889   18.635   63.562   19.264 15.32673 26.80262 
1 1 1  -12    8   55 o  214.917   6.1645  126.588   7.1467  125.970   10.401  127.141   9.8366  214.328   8.9806  215.505   8.4469 -1.176300 12.32891 
1 1 1  -12    8   56 o  211.092   6.2627  121.512   7.1001  129.645   10.772  115.265   9.4414  217.170   9.1791  205.014   8.5225 12.15613 12.52546 
1 1 1  -12    8   57 o  142.105   8.0306   56.371   6.1317   53.310   9.0019   59.021   8.3752  138.240   12.051  145.970   10.618 -7.730530 16.06117 
1 1 1  -12    8   58 o  147.528   9.3737   63.027   7.2113   70.042   9.4310   53.153   11.190  158.643   11.001  136.413   15.180 22.22968 18.74749 
1 1 1  -12    8   59 o  278.056   6.1312  212.332   9.1570  221.076   13.834  205.513   12.216  282.877   9.0501  273.234   8.2741 9.643219 12.26238 
1 1 1  -12    8   60 o   84.300   15.913   19.809   6.6209   30.946   13.409   16.218   7.6137   96.322   25.399   72.277   19.177 24.04516 31.82602 
1 1 1  -12    8   61 o   47.479   13.932   3.0384   5.8219   5.4072   8.9871   1.3255   7.6422   51.739   20.865   43.220   18.466 8.519127 27.86316 
1 1 1  -12    8   62 o  162.534   7.6726   73.462   6.6991   83.497   10.142   65.694   8.9225  172.239   10.897  152.829   10.804 19.40938 15.34524 
1 1 1  -12    8   63 o   71.075   14.942   16.720   6.1792   19.007   8.9826   14.666   8.5137   75.476   21.167   66.675   21.093 8.801208 29.88307 
1 1 1  -12    8   64 o   40.899   13.198  -2.8587   6.4512  -6.1445   10.297  -0.7357   8.2770   40.548   18.951   41.250   18.375 -0.7021446 26.39633 
1 1 1  -12    8   65 o   58.311   21.760   10.299   9.2046   0.0000   0.0000   10.299   9.2046  ?   ?    58.311   21.760      ?      ? 
1 1 1  -12    8   66 o  133.337   9.3824   53.719   6.7384   54.133   9.9322   53.366   9.1721  133.239   13.795  133.436   12.721 -0.1968842 18.76484 
1 1 1  -12    8   67 o  102.279   12.370   33.373   6.6095   41.228   9.9016   27.059   8.8767  114.853   15.954   89.705   18.908 25.14824 24.73996 
1 1 1  -12    9    1 o  990.004   14.594  2694.44   75.249  2786.91   95.474  2542.79  122.262  1013.51   17.433  966.496   23.410 47.01587 29.18808 
1 1 1  -12    9    2 o  366.491   6.4716  363.983   12.249  365.601   15.246  361.036   20.575  367.705   7.6730  365.277   10.424 2.427460 12.94326 
1 1 1  -12    9    3 o  524.088   9.5948  743.068   27.149  722.748   37.465  765.541   39.398  516.566   13.422  531.610   13.715 -15.04358 19.18961 
1 1 1  -12    9    4 o  242.253   6.2277  158.635   8.1499  154.482   11.360  163.040   11.699  238.988   8.7965  245.518   8.8182 -6.530273 12.45547 
1 1 1  -12    9    5 o  273.001   6.4349  201.577   9.4922  198.896   13.343  204.324   13.506  271.163   9.1065  274.839   9.0941 -3.675598 12.86974 
1 1 1  -12    9    6 o  877.273   15.173  2092.66   71.915  2070.95  100.645  2115.31  102.796  872.654   21.343  881.891   21.571 -9.237305 30.34546 
1 1 1  -12    9    7 o  168.956   6.4139   77.292   5.8452   71.734   8.2462   82.905   8.2867  162.838   9.3715  175.073   8.7594 -12.23497 12.82783 
1 1 1  -12    9    8 o  674.219   10.320  1234.18   35.527  1225.45   61.134  1238.63   43.655  672.067   16.834  676.371   11.944 -4.303406 20.64083 
1 1 1  -12    9    9 o  426.206   5.8652  491.303   13.508  488.780   19.140  493.807   19.066  425.114   8.3319  427.298   8.2572 -2.184387 11.73038 
1 1 1  -12    9   10 o  646.670   9.9969  1134.18   32.912  1129.95   57.013  1136.29   40.307  645.452   16.346  647.888   11.513 -2.436096 19.99378 
1 1 1  -12    9   11 o  250.476   6.6251  169.831   8.9605  165.495   12.808  173.986   12.540  247.336   9.5833  253.616   9.1503 -6.279892 13.25020 
1 1 1  -12    9   12 o  448.330   8.6282  543.372   20.875  558.784   30.465  529.730   28.662  454.299   12.410  442.362   11.991 11.93790 17.25632 
1 1 1  -12    9   13 o  418.148   7.0953  474.236   15.245  476.945   18.868  469.144   25.871  419.959   8.3145  416.338   11.500 3.621460 14.19062 
1 1 1  -12    9   14 o  185.804   4.6770   93.301   4.6883   93.814   6.8338   92.845   6.4440  186.284   6.7889  185.324   6.4348 0.9592133 9.353912 
1 1 1  -12    9   15 o  556.798   7.2018  838.639   21.665  843.605   30.959  833.874   30.328  558.408   10.260  555.189   10.109 3.219177 14.40361 
1 1 1  -12    9   16 o  829.350   10.172  1862.91   45.587  1861.19   64.519  1864.62   64.422  828.965   14.403  829.734   14.368 -0.7693481 20.34467 
1 1 1  -12    9   17 o  247.656   4.6854  165.833   6.2652  164.705   9.0267  166.881   8.7028  246.840   6.7675  248.471   6.4818 -1.630341 9.370794 
1 1 1  -12    9   18 o  339.678   7.3361  311.915   13.465   0.0000   0.0000  311.915   13.465  ?   ?   339.678   7.3361      ?      ? 
1 1 1  -12    9   19 o  316.050   7.1385  270.019   12.191   0.0000   0.0000  270.019   12.191  ?   ?   316.050   7.1385      ?      ? 
1 1 1  -12    9   20 o  1151.93   13.867  3597.93   86.310  3565.27  121.031  3631.73  123.116  1146.63   19.534  1157.24   19.688 -10.60352 27.73431 
1 1 1  -12    9   22 o  444.392   6.1341  533.940   14.729  528.941   20.899  538.873   20.761  442.323   8.7439  446.461   8.6055 -4.137543 12.26829 
1 1 1  -12    9   23 o  890.562   10.873  2146.47   52.320  2125.82   73.414  2167.79   74.581  886.214   15.330  894.911   15.423 -8.696594 21.74591 
1 1 1  -12    9   24 o  604.560   7.7383  988.462   25.279  986.345   35.841  990.558   35.660  603.914   10.983  605.206   10.904 -1.292603 15.47657 
1 1 1  -12    9   25 o  895.557   10.935  2170.48   52.901  2136.05   73.739  2206.99   75.936  888.254   15.363  902.859   15.565 -14.60559 21.86953 
1 1 1  -12    9   26 o  635.873   8.0889  1093.40   27.790  1076.28   38.900  1111.25   39.714  630.791   11.412  640.955   11.467 -10.16321 16.17782 
1 1 1  -12    9   27 f  312.009   5.2471  263.047   8.8447  256.018   12.378  270.379   12.643  307.751   7.4432  316.266   7.3978 -8.514618 10.49426 
1 1 1  -12    9   28 o  448.089   6.2854  542.905   15.218  538.353   21.570  547.416   21.473  446.217   8.9459  449.961   8.8316 -3.744263 12.57085 
1 1 1  -12    9   29 o  520.430   6.9886  730.753   19.626  700.600   26.891  765.117   28.708  508.975   9.7773  531.884   9.9883 -22.90839 13.97719 
1 1 1  -12    9   30 o  152.337   6.6109   62.633   5.4355   66.945   7.8784   58.715   7.5088  157.333   9.2669  147.342   9.4309 9.990479 13.22184 
1 1 1  -12    9   31 o  330.358   5.5867  295.129   9.9718  290.546   14.132  299.674   14.073  327.801   7.9781  332.915   7.8227 -5.114532 11.17342 
1 1 1  -12    9   32 o  708.446   8.9412  1358.56   34.228  1348.80   48.233  1368.46   48.581  705.883   12.645  711.009   12.644 -5.126587 17.88242 
1 1 1  -12    9   33 f  208.675   6.3367  117.897   7.1377  113.683   10.203  121.937   9.9889  205.012   9.2100  212.337   8.7057 -7.324478 12.67331 
1 1 1  -12    9   34 o  248.057   6.0770  166.233   8.1412  159.917   11.300  173.050   11.739  243.163   8.5999  252.951   8.5885 -9.788147 12.15407 
1 1 1  -12    9   35 f  730.135   9.2279  1442.86   36.392  1412.55   50.556  1475.46   52.426  722.193   12.955  738.076   13.145 -15.88263 18.45584 
1 1 1  -12    9   36 o  689.813   8.8142  1288.31   32.842  1261.43   45.656  1317.14   47.277  682.373   12.382  697.254   12.548 -14.88092 17.62839 
1 1 1  -12    9   37 o  798.275   9.9777  1727.03   43.025  1695.68   59.887  1760.48   61.854  790.810   14.014  805.740   14.206 -14.93036 19.95548 
1 1 1  -12    9   38 o  496.901   6.9675  668.370   18.705  652.567   26.276  684.609   26.635  490.942   9.9045  502.861   9.8021 -11.91937 13.93491 
1 1 1  -12    9   39 o  365.864   6.0730  362.395   12.005  358.508   17.055  366.211   16.901  363.913   8.6731  367.815   8.5032 -3.902588 12.14606 
1 1 1  -12    9   40 o  220.622   6.2160  131.440   7.4004  140.563   10.778  123.303   10.179  227.847   8.7539  213.396   8.8275 14.45103 12.43206 
1 1 1  -12    9   41 o  315.556   8.1160  270.069   13.833  272.748   19.908  267.568   19.234  317.052   11.620  314.060   11.334 2.992920 16.23193 
1 1 1  -12    9   42 o  275.435   7.9356  205.654   11.767  209.347   17.474  202.590   15.918  277.643   11.647  273.226   10.782 4.416901 15.87119 
1 1 1  -12    9   43 o  312.102   5.9073  263.244   9.9488  247.845   13.664  280.618   14.514  302.415   8.3615  321.790   8.3470 -19.37555 11.81463 
1 1 1  -12    9   44 o  146.992   10.954   59.715   8.6031   52.320   12.578   66.216   11.794  138.189   16.843  155.795   14.009 -17.60548 21.90789 
1 1 1  -12    9   45 o   59.526   16.233   4.5125   7.8975  -3.1689   10.904   12.989   11.454   48.007   21.252   71.044   24.543 -23.03692 32.46532 
1 1 1  -12    9   46 o   63.700   15.616   8.0938   6.2960   16.793   11.461   4.3342   7.5346   77.605   24.466   49.796   19.413 27.80895 31.23201 
1 1 1  -12    9   47 o  137.952   7.6890   52.133   5.7003   47.572   8.2412   56.316   7.8929  132.062   11.549  143.842   10.155 -11.77986 15.37805 
1 1 1  -12    9   48 o  228.535   5.8557  141.218   7.2085  151.056   10.729  133.122   9.7325  235.731   8.4227  221.340   8.1372 14.39070 11.71139 
1 1 1  -12    9   49 o  341.712   5.8742  317.677   10.842  312.922   15.479  322.257   15.192  339.164   8.4459  344.261   8.1667 -5.097412 11.74849 
1 1 1  -12    9   50 o  238.740   5.8936  155.878   7.5647  143.634   10.958  167.026   10.456  229.633   8.8310  247.846   7.8070 -18.21323 11.78710 
1 1 1  -12    9   51 o  146.882   7.4847   58.855   5.8971   61.100   8.9640   57.141   7.8301  149.238   11.116  144.526   10.026 4.711807 14.96931 
1 1 1  -12    9   52 o   93.961   11.065   24.821   5.4746   28.404   8.0930   21.799   7.4334  101.003   14.828   86.919   16.428 14.08355 22.13084 
1 1 1  -12    9   53 o  262.053   5.7444  186.064   8.0970  201.266   12.185  174.044   10.835  271.510   8.3052  252.596   7.9382 18.91406 11.48874 
1 1 1  -12    9   54 o   46.118   13.164   3.1167   5.1286   0.8062   7.6412   5.0108   6.9184   43.501   18.523   48.735   18.710 -5.233395 26.32792 
1 1 1  -12    9   55 o  126.255   8.8233   44.997   5.9259   38.686   8.7323   50.385   8.0680  117.534   13.749  134.975   11.062 -17.44132 17.64669 
1 1 1  -12    9   56 o  134.620   8.4224   51.487   5.9940   43.411   8.9524   58.049   8.0698  124.347   13.323  144.892   10.307 -20.54456 16.84480 
1 1 1  -12    9   57 o  132.423   10.406   50.079   7.0493   50.819   8.7299   48.694   11.951  134.911   11.975  129.935   17.021 4.976135 20.81115 
1 1 1  -12    9   58 o   48.936   14.796   1.7393   6.7639   0.7968   8.5928   3.2748   10.967   45.065   19.424   52.807   22.325 -7.741547 29.59195 
1 1 1  -12    9   59 o   81.646   14.158   23.219   6.2965   11.682   11.936   27.667   7.4116   64.841   24.651   98.451   13.932 -33.61029 28.31545 
1 1 1  -12    9   60 o   69.974   13.296   13.449   5.7940   26.120   8.8724   4.0266   7.6507   92.533   18.392   47.416   19.206 45.11713 26.59190 
1 1 1  -12    9   61 o  205.366   6.5698  117.710   7.2455  113.230   10.733  121.460   9.8210  201.390   9.8627  209.341   8.6819 -7.950958 13.13959 
1 1 1  -12    9   62 o   65.512   14.686   12.857   6.1602   20.075   9.1455   6.8632   8.3345   78.525   21.101   52.498   20.431 26.02728 29.37170 
1 1 1  -12    9   63 o   48.569   13.310  -1.1285   6.0426   15.210   9.3873 -12.6876   7.8959   67.168   22.223   29.970   14.656 37.19756 26.62019 
1 1 1  -12    9   65 o   68.215   13.666   15.901   6.3097   3.5773   9.3475   26.216   8.5521   47.080   20.276   89.350   18.328 -42.27010 27.33153 
1 1 1  -12    9   66 f  110.430   11.819   39.016   6.7301   33.058   9.8684   44.196   9.2020   99.766   18.999  121.094   14.063 -21.32779 23.63742 
1 1 1  -12    9   67 o   45.590   14.945  -1.7373   8.7776   4.7703   13.073  -7.0788   11.844   50.795   22.825   40.385   19.298 10.40988 29.88968 
1 1 1  -12   10    1 o  514.994   9.4875  718.447   26.402  714.865   37.227  722.072   37.450  513.703   13.411  516.285   13.424 -2.581726 18.97496 
1 1 1  -12   10    2 o  191.731   6.2136   99.417   6.4367  101.892   9.1610   97.004   9.0457  194.088   8.7348  189.373   8.8397 4.714600 12.42729 
1 1 1  -12   10    3 o  696.105   10.616  1318.90   37.913  1296.17   64.421  1330.94   46.894  691.132   17.250  701.077   12.378 -9.944580 21.23135 
1 1 1  -12   10    4 o  192.768   9.0643  100.518   9.4419  100.518   9.4419   0.0000   0.0000  192.768   9.0643  ?   ?       ?      ? 
1 1 1  -12   10    5 o  167.215   7.2218   75.601   6.5254   75.601   6.5254   0.0000   0.0000  167.215   7.2218  ?   ?       ?      ? 
1 1 1  -12   10    6 o  349.648   7.3980  330.562   13.978   0.0000   0.0000  330.562   13.978  ?   ?   349.648   7.3980      ?      ? 
1 1 1  -12   10    7 o  412.363   5.8044  459.865   12.934  456.748   18.307  462.971   18.274  410.966   8.2438  413.759   8.1735 -2.793427 11.60886 
1 1 1  -12   10    8 o  620.873   7.9240  1043.10   26.583  1028.16   37.309  1058.52   37.885  616.356   11.202  625.390   11.211 -9.033203 15.84808 
1 1 1  -12   10    9 o  845.351   14.720  1940.59   67.209  1901.80   93.299  1982.43   96.898  836.618   20.638  854.084   20.996 -17.46680 29.44022 
1 1 1  -12   10   10 o  530.443   9.8512  762.027   28.229  767.342   40.452  756.982   39.412  532.232   14.066  528.653   13.797 3.579224 19.70246 
1 1 1  -12   10   11 o  501.198   9.4107  680.035   25.476  688.063   36.642  672.522   35.446  504.048   13.453  498.349   13.163 5.699615 18.82131 
1 1 1  -12   10   12 o  258.610   4.7989  180.432   6.6944  186.747   9.8214  174.953   9.1489  262.824   6.9154  254.395   6.6553 8.429031 9.597753 
1 1 1  -12   10   13 o  209.873   4.7662  118.960   5.3988  121.262   7.8586  116.903   7.4296  211.791   6.8667  207.954   6.6116 3.836945 9.532356 
1 1 1  -12   10   14 o  627.894   7.9683  1066.74   27.035  1066.36   38.364  1067.11   38.104  627.780   11.309  628.008   11.229 -0.2277222 15.93656 
1 1 1  -12   10   15 o  649.690   8.2108  1142.09   28.826  1138.77   40.788  1145.41   40.743  648.744   11.635  650.637   11.589 -1.893005 16.42169 
1 1 1  -12   10   16 o  521.597   6.8872  735.807   19.411  734.067   27.558  737.521   27.346  520.982   9.7891  522.212   9.6907 -1.229736 13.77446 
1 1 1  -12   10   17 o   87.469   8.3059   20.983   3.6886   28.888   5.4548   14.324   5.0068  103.352   9.7673   71.585   13.437 31.76696 16.61179 
1 1 1  -12   10   18 o  505.086   6.7296  689.832   18.366  680.042   25.873  699.776   26.076  501.473   9.5478  508.700   9.4861 -7.227142 13.45911 
1 1 1  -12   10   19 o  997.456   12.100  2695.01   65.214  2709.97   92.863  2680.44   91.603  1000.18   17.182  994.735   17.042 5.442627 24.20009 
1 1 1  -12   10   20 o  993.448   12.060  2673.03   64.743  2671.11   91.645  2674.94   91.475  993.090   17.078  993.807   17.034 -0.7176514 24.12058 
1 1 1  -12   10   21 o  1130.43   13.642  3459.73   83.277  3384.46  115.324  3541.75  120.383  1117.63   19.096  1143.23   19.487 -25.60767 27.28331 
1 1 1  -12   10   22 o  700.063   8.8018  1325.75   33.296  1324.25   47.248  1327.23   46.927  699.667   12.497  700.460   12.398 -0.7934570 17.60365 
1 1 1  -12   10   23 o  576.866   7.4664  899.824   23.273  888.843   32.698  911.097   33.131  573.300   10.555  580.432   10.563 -7.132324 14.93274 
1 1 1  -12   10   24 o  1000.38   12.131  2710.67   65.575  2695.11   92.321  2726.52   93.158  997.484   17.128  1003.27   17.184 -5.787537 24.26206 
1 1 1  -12   10   25 o  365.015   5.5729  360.237   10.990  356.188   15.639  364.188   15.447  362.986   7.9732  367.044   7.7883 -4.058014 11.14579 
1 1 1  -12   10   26 o  686.922   8.6726  1276.59   32.192  1271.88   45.483  1281.32   45.569  685.651   12.276  688.192   12.254 -2.541504 17.34522 
1 1 1  -12   10   27 o  1096.08   13.254  3256.46   78.497  3236.70  110.479  3276.60  111.552  1092.73   18.710  1099.43   18.777 -6.702393 26.50733 
1 1 1  -12   10   28 o  1482.03   17.762  5969.90  142.190  5871.97  197.695  6074.86  204.660  1469.53   24.896  1494.53   25.342 -25.00024 35.52494 
1 1 1  -12   10   29 o  751.917   9.3927  1530.70   38.163  1526.28   54.013  1535.10   53.929  750.830   13.313  753.004   13.254 -2.173523 18.78533 
1 1 1  -12   10   30 o  969.925   11.845  2550.34   62.079  2535.35   87.432  2565.59   88.159  967.054   16.731  972.797   16.771 -5.743408 23.68980 
1 1 1  -12   10   31 o  316.177   5.7663  269.616   9.8371  250.856   13.555  290.491   14.299  304.584   8.2356  327.770   8.0730 -23.18567 11.53251 
1 1 1  -12   10   32 o  115.499   10.022   37.027   6.0916   28.500   8.8597   44.673   8.3892  102.535   15.990  128.463   12.085 -25.92789 20.04359 
1 1 1  -12   10   33 o  616.525   8.0541  1028.43   26.827  1008.41   37.502  1049.41   38.391  610.384   11.370  622.666   11.410 -12.28192 16.10810 
1 1 1  -12   10   34 o  366.527   8.5446  363.347   16.923   0.0000   0.0000  363.347   16.923  ?   ?   366.527   8.5446      ?      ? 
1 1 1  -12   10   35 o  815.353   10.164  1802.24   44.778  1778.66   62.733  1826.74   63.936  809.924   14.334  820.782   14.416 -10.85864 20.32895 
1 1 1  -12   10   36 o  174.704   7.3243   82.604   6.9108   86.351   9.8548   78.978   9.6940  178.606   10.211  170.801   10.503 7.804337 14.64853 
1 1 1  -12   10   37 o  462.774   6.7187  579.316   16.795  560.602   23.420  599.130   24.099  455.083   9.5239  470.465   9.4794 -15.38202 13.43741 
1 1 1  -12   10   38 o  336.853   5.9821  307.221   10.886  301.048   15.461  313.291   15.331  333.488   8.5794  340.219   8.3390 -6.730927 11.96428 
1 1 1  -12   10   39 o  681.732   8.7548  1261.01   32.250  1250.58   45.597  1271.45   45.621  678.900   12.429  684.565   12.333 -5.664551 17.50954 
1 1 1  -12   10   40 o  138.820   11.506   52.549   8.6209   50.360   12.300   54.662   12.087  135.942   16.744  141.697   15.786 -5.754379 23.01173 
1 1 1  -12   10   41 f  255.273   8.1386  177.002   11.196  175.833   16.417  178.018   15.309  254.438   11.941  256.109   11.062 -1.670837 16.27725 
1 1 1  -12   10   42 o  328.806   8.6062  293.023   15.291  293.023   15.291   0.0000   0.0000  328.806   8.6062  ?   ?       ?      ? 
1 1 1  -12   10   43 o  501.550   9.9824  686.204   27.051  680.631   38.451  691.667   38.064  499.490   14.246  503.610   13.987 -4.120422 19.96473 
1 1 1  -12   10   44 o  300.293   8.3680  245.292   13.537  249.324   20.014  241.892   18.378  302.481   12.245  298.105   11.409 4.375366 16.73605 
1 1 1  -12   10   45 o  123.038   11.043   41.043   6.7890   42.860   12.307   40.248   8.1396  124.622   18.275  121.453   12.402 3.169357 22.08611 
1 1 1  -12   10   46 o  112.725   9.4620   34.702   5.7525   37.822   8.2952   31.811   7.9843  117.632   13.050  107.817   13.704 9.815063 18.92393 
1 1 1  -12   10   47 o  306.570   5.8601  255.311   9.6957  256.359   14.080  254.366   13.371  307.127   8.4838  306.013   8.0861 1.113983 11.72010 
1 1 1  -12   10   48 o  403.256   6.2051  442.519   13.510  442.899   19.517  442.169   18.719  403.363   8.9543  403.150   8.5926 0.2135010 12.41017 
1 1 1  -12   10   49 o  203.240   6.2120  111.983   6.7826  116.878   10.244  108.162   9.0509  207.109   9.1530  199.370   8.4013 7.738785 12.42410 
1 1 1  -12   10   50 o  220.908   6.1033  133.292   7.2415  130.090   10.778  135.927   9.7769  218.369   9.1341  223.446   8.0973 -5.076187 12.20650 
1 1 1  -12   10   51 o  225.859   6.0423  139.032   7.3622  141.790   10.768  136.611   10.089  227.908   8.7433  223.809   8.3421 4.098938 12.08458 
1 1 1  -12   10   52 o  292.933   5.8177  234.254   9.2031  225.346   13.039  243.099   12.992  287.321   8.3980  298.546   8.0533 -11.22525 11.63539 
1 1 1  -12   10   53 o  174.321   6.7727   83.734   6.3408   79.427   9.3477   87.406   8.6299  169.978   10.177  178.663   8.9389 -8.684769 13.54535 
1 1 1  -12   10   54 o  225.102   6.0976  138.562   7.3843  141.364   11.016  136.276   9.9508  227.034   8.9797  223.169   8.2516 3.864639 12.19519 
1 1 1  -12   10   55 o   69.026   14.423   14.220   5.7243   15.606   8.6415   13.136   7.6413   71.747   20.969   66.305   19.808 5.442581 28.84546 
1 1 1  -12   10   56 o  190.986   8.2276  100.305   8.2066   96.808   10.282  106.441   13.621  187.124   10.169  194.847   12.937 -7.723297 16.45517 
1 1 1  -12   10   57 o   45.647   14.057  -0.0437   6.4230  -1.2800   8.4343   1.6631   9.9103   42.256   18.700   49.037   20.992 -6.780453 28.11320 
1 1 1  -12   10   58 o   52.478   14.933   1.1788   6.2785   13.973   11.759  -3.9227   7.4255   68.467   24.754   36.489   16.710 31.97809 29.86645 
1 1 1  -12   10   59 o   52.667   13.694   5.9647   5.8270  -2.8729   8.8950   12.608   7.7122   41.265   18.658   64.069   20.049 -22.80371 27.38791 
1 1 1  -12   10   60 o   62.313   13.850   11.775   5.6452   5.1474   8.4436   17.132   7.5912   50.430   20.264   74.196   18.886 -23.76611 27.70014 
1 1 1  -12   10   61 o   61.305   13.047   7.1015   6.0331   23.832   9.1648  -5.6929   8.0146   86.642   19.983   35.968   16.780 50.67392 26.09359 
1 1 1  -12   10   62 o   71.720   14.231   17.385   6.1123   10.307   9.2268   22.920   8.1595   58.453   21.791   84.988   18.308 -26.53445 28.46107 
1 1 1  -12   10   63 o   52.204   14.577   6.7857   6.1387   4.3219   9.3663   8.6410   8.1277   49.596   20.781   54.813   20.449 -5.217133 29.15460 
1 1 1  -12   10   64 o   34.741   11.716  -9.8253   6.2527 -15.8797   9.0584  -4.3154   8.6415   31.178   15.338   38.305   17.716 -7.127102 23.43284 
1 1 1  -12   10   65 o   67.104   14.559   16.749   6.2775   9.5791   9.4379   22.439   8.4068   54.162   21.538   80.045   19.594 -25.88234 29.11757 
1 1 1  -12   10   66 o   48.743   14.948   3.9636   7.4750  -4.6194   13.436   7.8107   8.9956   45.414   21.359   52.071   20.919 -6.657593 29.89652 
1 1 1  -12   11    3 o  252.254   4.8610  172.052   6.6219  171.387   9.5243  172.674   9.2131  251.780   7.0004  252.729   6.7463 -0.9489594 9.722014 
1 1 1  -12   11    5 o  932.256   11.379  2356.14   57.324  2355.79   81.159  2356.49   80.980  932.183   16.112  932.329   16.074 -0.1459961 22.75870 
1 1 1  -12   11    6 o  927.176   11.323  2329.54   56.709  2362.65   81.459  2298.41   78.996  933.539   16.148  920.813   15.876 12.72644 22.64536 
1 1 1  -12   11    7 o  772.956   13.604  1621.96   56.819  1620.72   80.501  1623.20   80.207  772.653   19.281  773.259   19.196 -0.6065674 27.20710 
1 1 1  -12   11    8 o  861.034   15.005  2014.07   69.805  1988.96   97.652  2040.31   99.821  855.570   21.122  866.498   21.319 -10.92847 30.01068 
1 1 1  -12   11    9 o  111.194   10.090   34.629   5.8588   26.396   8.7145   41.419   7.9143   98.680   16.343  123.707   11.839 -25.02729 20.18054 
1 1 1  -12   11   10 o  409.107   5.8367  452.268   12.899  439.320   17.977  466.006   18.518  403.076   8.2538  415.138   8.2548 -12.06165 11.67334 
1 1 1  -12   11   11 o  186.828   4.9667   94.407   4.9973   93.761   7.3630   94.958   6.8045  186.231   7.3167  187.425   6.7186 -1.193558 9.933467 
1 1 1  -12   11   12 o  136.693   7.6900   50.515   5.6802   0.0000   0.0000   50.515   5.6802  ?   ?   136.693   7.6900      ?      ? 
1 1 1  -12   11   13 o  583.333   7.5267  920.467   23.725  918.731   33.641  922.185   33.463  582.783   10.683  583.882   10.606 -1.099243 15.05346 
1 1 1  -12   11   14 o  179.480   5.1866   87.101   5.0176   86.821   7.3554   87.345   6.8622  179.207   7.5957  179.754   7.0647 -0.5469208 10.37325 
1 1 1  -12   11   15 o  255.775   6.7375  176.836   9.3121   0.0000   0.0000  176.836   9.3121  ?   ?   255.775   6.7375      ?      ? 
1 1 1  -12   11   16 o  664.096   8.3965  1193.18   30.131  1191.31   42.726  1195.03   42.497  663.575   11.916  664.618   11.833 -1.042114 16.79293 
1 1 1  -12   11   17 o  327.133   5.2843  289.214   9.3357  291.229   13.453  287.343   12.966  328.229   7.5851  326.037   7.3593 2.192261 10.56850 
1 1 1  -12   11   18 o  912.927   11.152  2256.39   55.012  2244.46   77.511  2268.49   78.091  910.498   15.754  915.356   15.788 -4.858582 22.30362 
1 1 1  -12   11   19 o  758.822   13.341  1557.92   54.702   0.0000   0.0000  1557.92   54.702  ?   ?   758.822   13.341      ?      ? 
1 1 1  -12   11   20 o  207.697   5.2394  116.928   5.8463  113.318   8.6746  119.932   7.9135  204.747   7.8405  210.648   6.9522 -5.900864 10.47888 
1 1 1  -12   11   21 o  873.234   10.705  2064.12   50.511  2060.81   71.426  2067.44   71.441  872.531   15.149  873.936   15.128 -1.404968 21.40913 
1 1 1  -12   11   22 o  304.447   5.2817  250.508   8.6856  251.891   12.477  249.208   12.098  305.260   7.5643  303.634   7.3735 1.626282 10.56346 
1 1 1  -12   11   23 o  399.969   5.8873  432.054   12.709  441.004   18.501  424.056   17.489  403.883   8.4772  396.055   8.1719 7.828217 11.77465 
1 1 1  -12   11   24 o  404.326   5.9493  441.991   12.997  440.422   18.497  443.521   18.265  403.615   8.4812  405.037   8.3453 -1.421631 11.89852 
1 1 1  -12   11   25 o  1123.64   13.588  3421.87   82.493  3382.20  115.469  3463.23  117.894  1117.00   19.130  1130.27   19.303 -13.26733 27.17672 
1 1 1  -12   11   26 o  1131.57   13.695  3470.31   83.704  3408.90  116.423  3536.03  120.430  1121.24   19.215  1141.90   19.517 -20.65234 27.38907 
1 1 1  -12   11   27 o  1081.06   13.099  3168.84   76.510  3138.47  107.259  3200.31  109.168  1075.81   18.451  1086.32   18.597 -10.51538 26.19710 
1 1 1  -12   11   28 o  438.252   6.3274  519.503   14.982  514.198   21.321  524.676   21.056  436.037   9.0488  440.467   8.8468 -4.429932 12.65489 
1 1 1  -12   11   29 o  622.879   8.0963  1048.36   27.227  1014.41   37.546  1086.02   39.539  612.266   11.348  633.492   11.550 -21.22620 16.19265 
1 1 1  -12   11   30 o  1213.76   14.656  4000.85   96.122  3983.99  135.525  4017.92  136.353  1211.19   20.707  1216.33   20.746 -5.134399 29.31151 
1 1 1  -12   11   31 o  866.536   10.732  2033.44   50.228  1988.50   69.684  2082.04   72.464  856.599   15.054  876.473   15.300 -19.87360 21.46470 
1 1 1  -12   11   32 o  102.721   11.515   29.280   6.1838   26.542   9.0871   31.640   8.4392   97.380   17.930  108.062   14.452 -10.68205 23.02929 
1 1 1  -12   11   33 o   45.972   13.755  -1.3779   6.2399  -7.6692   8.9958   4.4561   8.6627   38.948   18.035   52.995   20.773 -14.04742 27.50951 
1 1 1  -12   11   34 o  728.801   9.2572  1439.18   36.454  1420.69   51.164  1458.24   51.952  724.051   13.077  733.550   13.106 -9.499634 18.51442 
1 1 1  -12   11   35 o  125.248   9.6386   42.336   6.4997   44.676   9.7012   40.430   8.7554  128.364   13.986  122.133   13.266 6.230751 19.27717 
1 1 1  -12   11   36 o  214.324   6.6053  125.063   7.5941  117.004   11.216  131.885   10.319  207.883   9.9847  220.764   8.6503 -12.88109 13.21067 
1 1 1  -12   11   37 o  498.164   6.9931  672.126   18.823  657.346   26.492  687.195   26.748  492.626   9.9519  503.702   9.8272 -11.07639 13.98627 
1 1 1  -12   11   38 o  647.135   10.272  1144.56   34.074  1117.12   57.891  1159.10   42.147  640.560   16.725  653.709   11.932 -13.14941 20.54476 
1 1 1  -12   11   39 f  505.798   9.8903  694.995   27.025  674.099   37.779  716.892   38.674  498.004   14.039  513.591   13.935 -15.58636 19.78067 
1 1 1  -12   11   40 o  224.391   8.5683  136.461   10.298  139.054   15.702  134.505   13.641  226.183   12.847  222.599   11.341 3.583847 17.13661 
1 1 1  -12   11   41 o  363.359   6.0893  357.564   11.948  338.849   16.670  377.332   17.132  353.574   8.7250  373.143   8.4967 -19.56833 12.17867 
1 1 1  -12   11   42 o  197.568   9.8442  108.246   10.325   89.595   15.090  124.662   14.157  181.089   15.421  214.048   12.240 -32.95883 19.68842 
1 1 1  -12   11   43 o   93.564   16.346   25.305   8.2081   24.887   11.965   25.676   11.281   92.786   23.761   94.342   22.453 -1.555984 32.69118 
1 1 1  -12   11   44 o  275.533   8.4109  206.700   12.501  211.486   18.312  202.523   17.107  278.459   12.170  272.608   11.613 5.850494 16.82189 
1 1 1  -12   11   45 o  321.646   5.9119  281.046   10.256  276.884   14.900  284.795   14.139  319.332   8.6350  323.961   8.0770 -4.629913 11.82373 
1 1 1  -12   11   46 o  502.776   7.0097  688.303   19.042  675.762   26.890  700.918   26.969  498.152   9.9895  507.400   9.8363 -9.247864 14.01933 
1 1 1  -12   11   47 o  169.697   6.9775   78.559   6.3236   78.123   9.6955   78.881   8.3421  169.170   10.606  170.224   9.0691 -1.053894 13.95497 
1 1 1  -12   11   48 o  211.516   6.3030  122.614   7.1388  115.001   10.638  128.850   9.6287  205.375   9.5859  217.657   8.1867 -12.28200 12.60601 
1 1 1  -12   11   49 o  291.119   5.8162  230.675   9.1130  231.096   13.509  230.323   12.345  291.267   8.5829  290.972   7.8516 0.2941895 11.63245 
1 1 1  -12   11   50 o  292.222   5.8544  231.276   9.1807  245.358   13.978  220.593   12.175  299.881   8.6258  284.563   7.9177 15.31848 11.70879 
1 1 1  -12   11   51 o  113.293   9.7071   35.195   5.9074   40.437   8.9173   31.096   7.8861  120.735   13.668  105.851   13.787 14.88396 19.41421 
1 1 1  -12   11   52 o  254.298   6.0457  176.888   8.2825  175.156   12.163  178.385   11.310  253.016   8.8961  255.581   8.1893 -2.565384 12.09149 
1 1 1  -12   11   53 o  173.494   7.0783   82.579   6.6088   85.493   9.8683   80.210   8.8991  176.146   10.368  170.842   9.6397 5.304291 14.15669 
1 1 1  -12   11   54 o   69.525   11.778   10.598   5.5773   28.605   8.7055  -1.9391   7.2638  100.328   16.058   38.723   17.234 61.60524 23.55531 
1 1 1  -12   11   55 o  135.098   8.4930   51.141   6.1331   49.011   9.2609   52.805   8.1854  132.234   12.960  137.961   10.980 -5.726730 16.98610 
1 1 1  -12   11   56 o   76.407   15.224   15.704   6.8271   7.9246   8.5810   29.122   11.269   56.098   20.995   96.716   22.052 -40.61884 30.44806 
1 1 1  -12   11   57 o  131.795   11.043   39.435   6.9786   80.495   14.378   26.781   7.9818  167.014   15.932   96.576   15.295 70.43771 22.08503 
1 1 1  -12   11   58 o  143.447   10.760   60.659   7.2119   56.532   13.997   62.150   8.4150  137.612   18.823  149.282   10.432 -11.66969 21.52027 
1 1 1  -12   11   59 o  104.189   11.204   32.464   5.9956   27.631   9.0024   36.316   8.0375   95.340   18.137  113.038   13.159 -17.69775 22.40740 
1 1 1  -12   11   60 o  137.958   9.0565   55.510   6.5841   45.597   9.7799   63.728   8.9042  125.444   14.428  150.472   10.951 -25.02818 18.11296 
1 1 1  -12   11   61 o  119.392   10.372   41.843   6.6188   40.262   9.9803   43.084   8.8433  116.619   15.837  122.166   13.396 -5.546318 20.74310 
1 1 1  -12   11   62 o  126.820   9.6920   47.152   6.5937   46.231   9.8560   47.898   8.8713  125.053   14.585  128.587   12.767 -3.534241 19.38400 
1 1 1  -12   11   63 o  118.431   13.838   40.847   8.8559   0.0000   0.0000   40.847   8.8559  ?   ?   118.431   13.838      ?      ? 
1 1 1  -12   11   64 o   99.823   12.885   33.632   6.5873   21.126   9.3852   45.775   9.2480   76.481   21.703  123.166   13.895 -46.68526 25.76987 
1 1 1  -12   11   65 o   45.634   14.730  -2.1961   7.2175   7.1306   13.516  -5.9162   8.5363   55.442   24.128   35.825   16.903 19.61663 29.45934 
1 1 1  -12   11   66 f   66.849   17.727   18.445   8.7596   24.144   12.968   13.662   11.879   74.018   26.081   59.680   24.016 14.33826 35.45391 
1 1 1  -12   12    1 f  438.913   8.8104  520.960   20.896  520.960   20.896   0.0000   0.0000  438.913   8.8104  ?   ?       ?      ? 
1 1 1  -12   12    2 o  180.084   5.2691   87.713   5.1241   86.535   7.3515   88.827   7.1460  178.905   7.6045  181.263   7.2957 -2.358444 10.53823 
1 1 1  -12   12    3 o  521.489   6.9533  735.587   19.594  734.310   27.777  736.852   27.643  521.037   9.8656  521.941   9.8010 -0.9047241 13.90650 
1 1 1  -12   12    4 o  399.623   7.3035  432.340   14.657  431.081   26.075  432.922   17.722  399.108   12.091  400.139   8.1962 -1.030396 14.60696 
1 1 1  -12   12    5 o  628.100   11.463  1068.90   38.898  1075.45   55.599  1062.61   54.440  629.972   16.333  626.228   16.088 3.743713 22.92537 
1 1 1  -12   12    6 o  434.896   8.8490  511.350   20.768  521.847   30.281  502.027   28.537  439.091   12.762  430.702   12.262 8.389557 17.69803 
1 1 1  -12   12    7 o  756.610   13.389  1545.94   54.569  1472.97   73.706  1634.46   81.177  737.002   18.508  776.218   19.354 -39.21588 26.77857 
1 1 1  -12   12    8 o  507.239   6.8048  695.420   18.645  679.513   25.964  712.357   26.792  501.256   9.5858  513.223   9.6608 -11.96710 13.60957 
1 1 1  -12   12    9 o  510.710   6.8323  705.339   18.853  708.424   26.897  702.359   26.433  511.805   9.7253  509.615   9.5989 2.189423 13.66458 
1 1 1  -12   12   11 o  628.820   8.0671  1069.77   27.411  1066.84   38.888  1072.67   38.642  627.959   11.460  629.681   11.357 -1.721985 16.13429 
1 1 1  -12   12   14 o  549.086   7.2297  814.832   21.444  795.227   29.852  835.731   30.823  542.269   10.188  555.903   10.261 -13.63464 14.45940 
1 1 1  -12   12   15 o  325.900   5.3412  287.204   9.4018  277.746   13.313  296.614   13.279  320.543   7.6861  331.257   7.4186 -10.71472 10.68232 
1 1 1  -12   12   16 o  347.988   5.4958  327.344   10.333  327.055   14.743  327.623   14.485  347.835   7.8439  348.141   7.6998 -0.3053589 10.99153 
1 1 1  -12   12   17 o  754.343   13.291  1539.54   54.177   0.0000   0.0000  1539.54   54.177  ?   ?   754.343   13.291      ?      ? 
1 1 1  -12   12   18 o  694.342   8.7538  1304.07   32.843  1293.06   46.238  1315.28   46.659  691.385   12.376  697.299   12.383 -5.914673 17.50756 
1 1 1  -12   12   19 o  394.606   5.8923  420.916   12.559  422.296   18.029  419.614   17.506  395.232   8.4419  393.980   8.2227 1.251160 11.78468 
1 1 1  -12   12   20 o  551.480   10.213  822.449   30.434   0.0000   0.0000  822.449   30.434  ?   ?   551.480   10.213      ?      ? 
1 1 1  -12   12   21 o  931.240   11.373  2347.96   57.223  2322.98   80.193  2373.86   81.679  926.204   16.023  936.276   16.144 -10.07239 22.74580 
1 1 1  -12   12   22 o  518.271   6.9609  725.893   19.488  707.585   27.149  745.354   27.991  511.535   9.8219  525.008   9.8664 -13.47275 13.92180 
1 1 1  -12   12   23 f  225.763   5.6263  138.035   6.8513  131.781   9.8366  143.928   9.5481  220.783   8.2450  230.743   7.6577 -9.960495 11.25261 
1 1 1  -12   12   24 o  864.995   10.669  2025.04   49.852  1991.03   69.497  2061.09   71.552  857.528   14.998  872.463   15.177 -14.93481 21.33725 
1 1 1  -12   12   25 o  325.316   5.6682  286.347   9.9507  268.753   14.052  304.044   14.093  315.279   8.2481  335.354   7.7770 -20.07510 11.33635 
1 1 1  -12   12   26 o  410.566   6.1490  455.751   13.639  442.761   19.163  469.088   19.417  404.635   8.7641  416.497   8.6275 -11.86209 12.29805 
1 1 1  -12   12   27 o  531.728   7.2101  764.661   20.707  771.328   29.801  758.438   28.792  533.959   10.329  529.497   10.063 4.463013 14.42022 
1 1 1  -12   12   28 o  184.747   6.8594   92.321   6.8437   92.286   9.8497   92.354   9.5159  184.709   9.8684  184.784   9.5301 -0.7525635E-01 13.71887 
1 1 1  -12   12   29 o  1387.59   16.702  5235.81  125.190  5152.03  174.254  5325.19  179.976  1376.20   23.432  1398.98   23.808 -22.78186 33.40455 
1 1 1  -12   12   30 o  207.622   6.8427  116.549   7.6573  117.535   11.260  115.700   10.445  208.429   9.9971  206.814   9.3459 1.615585 13.68535 
1 1 1  -12   12   31 o  347.693   6.1153  326.543   11.475  304.310   15.947  350.422   16.526  335.428   8.7979  359.958   8.4962 -24.53027 12.23064 
1 1 1  -12   12   32 o  304.880   6.1774  251.321   10.175  256.352   14.593  246.561   14.194  307.847   8.7723  301.913   8.7000 5.933502 12.35490 
1 1 1  -12   12   33 o  513.422   7.1737  713.535   19.898  713.037   28.435  714.013   27.854  513.236   10.253  513.607   10.036 -0.3713989 14.34732 
1 1 1  -12   12   34 o  547.935   7.4823  812.842   22.152  800.451   31.273  825.320   31.383  543.737   10.644  552.133   10.519 -8.395203 14.96450 
1 1 1  -12   12   35 o  236.892   6.4053  152.021   8.1900  148.708   11.789  155.112   11.387  234.383   9.3079  239.401   8.8020 -5.017715 12.81064 
1 1 1  -12   12   36 f  156.634   8.3044   64.717   6.9297   81.359   10.830   53.181   9.0172  173.229   11.570  140.039   11.916 33.18976 16.60879 
1 1 1  -12   12   37 o  155.508   10.105   65.189   7.6292   66.892   14.485   64.535   8.9749  156.713   17.106  154.303   10.764 2.410172 20.21036 
1 1 1  -12   12   38 o  267.173   8.4317  193.738   12.075  193.446   18.263  193.964   16.095  266.920   12.662  267.426   11.138 -0.5058289 16.86344 
1 1 1  -12   12   39 o  492.215   9.7137  659.090   25.815  659.910   37.272  658.333   35.790  492.442   14.007  491.988   13.462 0.4545593 19.42735 
1 1 1  -12   12   40 o  267.422   6.0584  190.294   8.6574  217.793   13.533  171.243   11.264  283.453   8.8353  251.391   8.2918 32.06186 12.11682 
1 1 1  -12   12   41 o   88.823   17.052   22.330   8.5519   28.896   12.382   16.340   11.826  100.210   23.306   77.437   24.899 22.77368 34.10437 
1 1 1  -12   12   42 o   82.128   18.138   18.848   8.9449   20.115   12.516   17.525   12.788   84.277   25.390   79.980   25.910 4.297470 36.27655 
1 1 1  -12   12   43 f  154.944   11.650   65.988   9.7470   66.081   14.059   65.901   13.525  155.000   16.785  154.889   16.160 0.1112366 23.29993 
1 1 1  -12   12   44 o  264.300   5.9121  189.956   8.4099  185.360   12.374  193.901   11.465  261.263   8.7651  267.337   7.9362 -6.073456 11.82411 
1 1 1  -12   12   45 o  383.433   6.1679  398.966   12.746  407.648   18.800  391.579   17.340  387.219   8.9850  379.647   8.4524 7.572296 12.33583 
1 1 1  -12   12   46 o   51.533   12.055   3.3392   5.3657 -12.8826   8.4702   14.212   6.9346   32.884   15.869   70.181   18.150 -37.29728 24.10937 
1 1 1  -12   12   47 o  313.153   5.9108  266.410   9.9629  270.779   14.811  262.800   13.465  315.408   8.6900  310.897   8.0147 4.510986 11.82161 
1 1 1  -12   12   48 o  191.296   6.6376   98.823   6.7701  105.760   10.608   94.057   8.7939  196.786   9.9759  185.807   8.7585 10.97894 13.27522 
1 1 1  -12   12   49 o  193.891   6.5366  102.321   6.7896  105.471   10.367   99.955   8.9844  196.371   9.7703  191.411   8.6863 4.959854 13.07324 
1 1 1  -12   12   50 o   64.499   14.286   11.449   5.5191   14.955   8.5795   8.9730   7.2087   71.390   20.903   57.608   19.480 13.78153 28.57272 
1 1 1  -12   12   51 o   44.378   13.415   0.6060   5.6507  -0.3043   8.8222   1.2392   7.3581   45.169   19.575   43.587   18.349 1.581795 26.82999 
1 1 1  -12   12   52 o  312.141   6.0197  266.871   10.123  264.341   14.864  269.060   13.824  310.594   8.8563  313.688   8.1555 -3.093536 12.03933 
1 1 1  -12   12   53 f   95.335   11.705   25.296   5.8063   32.950   9.2046   20.238   7.4829  107.848   15.794   82.822   17.279 25.02686 23.41003 
1 1 1  -12   12   54 o  222.400   6.2406  135.710   7.4704  138.425   11.112  133.472   10.091  224.277   9.1693  220.523   8.4679 3.753616 12.48129 
1 1 1  -12   12   55 o  122.507   11.332   41.260   7.2093   37.134   8.8675   49.302   12.381  114.532   14.328  130.483   17.560 -15.95134 22.66399 
1 1 1  -12   12   56 o  319.939   7.7163  281.819   12.083  293.243   22.633  277.264   14.290  322.403   12.992  317.475   8.3297 4.927124 15.43261 
1 1 1  -12   12   57 o  154.150   9.7205   65.335   7.1378   72.905   14.149   62.751   8.2668  158.133   16.558  150.167   10.188 7.965973 19.44107 
1 1 1  -12   12   58 o   76.036   14.129   18.634   6.0248   13.344   9.2566   22.522   7.9357   65.922   22.076   86.150   17.641 -20.22797 28.25823 
1 1 1  -12   12   59 o   53.207   14.530   7.0511   5.9246   5.7079   9.1139   8.0342   7.7967   52.124   21.015   54.289   20.072 -2.164478 29.06064 
1 1 1  -12   12   60 o  139.797   9.2102   56.396   6.8910   52.149   10.200   59.962   9.3465  134.260   14.059  145.334   11.901 -11.07446 18.42035 
1 1 1  -12   12   61 o   83.550   14.278   23.690   6.4885   17.615   9.7533   28.513   8.6906   71.675   22.566   95.425   17.499 -23.74991 28.55559 
1 1 1  -12   12   62 o   43.782   19.423  -0.2030   9.1546  -0.2030   9.1546   0.0000   0.0000   43.782   19.423  ?   ?       ?      ? 
1 1 1  -12   12   63 o   50.911   14.632   5.1810   6.3895   10.432   9.7433   1.2186   8.4634   58.307   22.247   43.515   19.011 14.79224 29.26314 
1 1 1  -12   12   64 o  113.572   11.827   40.268   7.1723   47.214   11.250   35.511   9.3097  121.169   17.182  105.974   16.257 15.19473 23.65384 
1 1 1  -12   12   65 o   75.283   18.320   24.100   9.3621   18.532   14.312   28.266   12.378   66.870   26.545   83.696   25.257 -16.82639 36.64035 
1 1 1  -12   13    1 o  519.472   6.9809  728.349   19.563  754.022   28.680  706.011   26.753  528.006   10.052  510.939   9.6897 17.06754 13.96180 
1 1 1  -12   13    2 o  157.168   9.9454   68.102   8.2214   60.833   12.806   73.198   10.723  149.861   15.814  164.475   12.065 -14.61371 19.89075 
1 1 1  -12   13    3 o  707.586   12.726  1357.20   48.655  1357.43   69.135  1356.98   68.488  707.634   18.080  707.538   17.913 0.9594727E-01 25.45152 
1 1 1  -12   13    4 o  189.480   8.5685   97.257   8.7384   95.856   12.896   98.446   11.882  188.203   12.681  190.756   11.527 -2.552658 17.13705 
1 1 1  -12   13    5 o  263.246   10.856  187.455   15.443   0.0000   0.0000  187.455   15.443  ?   ?   263.246   10.856      ?      ? 
1 1 1  -12   13    7 o  786.325   9.7720  1673.28   41.515  1651.34   58.096  1696.17   59.346  781.065   13.765  791.585   13.874 -10.52008 19.54394 
1 1 1  -12   13    8 o  519.575   7.0010  730.089   19.655  726.210   27.867  733.930   27.728  518.200   9.9517  520.951   9.8499 -2.752014 14.00203 
1 1 1  -12   13    9 o  702.481   8.8753  1334.82   33.684  1314.58   47.064  1356.08   48.229  697.027   12.496  707.935   12.607 -10.90839 17.75064 
1 1 1  -12   13   10 o  370.253   5.7131  370.645   11.428  368.097   16.289  373.115   16.037  368.997   8.1695  371.508   7.9885 -2.511414 11.42615 
1 1 1  -12   13   11 o  161.609   8.0012   70.604   6.9873   0.0000   0.0000   70.604   6.9873  ?   ?   161.609   8.0012      ?      ? 
1 1 1  -12   13   12 o  311.874   5.3987  262.952   9.0878  262.287   13.164  263.557   12.561  311.494   7.8211  312.255   7.4442 -0.7608948 10.79749 
1 1 1  -12   13   13 o  846.146   10.449  1937.66   47.776  1924.14   67.261  1951.43   67.874  843.168   14.763  849.124   14.793 -5.955994 20.89861 
1 1 1  -12   13   14 o  732.033   12.978  1449.73   51.336   0.0000   0.0000  1449.73   51.336  ?   ?   732.033   12.978      ?      ? 
1 1 1  -12   13   15 o   93.565   8.9846   23.497   4.5052   28.171   6.6735   19.584   6.1067  102.053   12.102   85.078   13.283 16.97478 17.96914 
1 1 1  -12   13   16 o  385.396   5.8564  401.621   12.193  396.029   17.362  407.064   17.128  382.745   8.3946  388.047   8.1682 -5.301697 11.71279 
1 1 1  -12   13   18 o  522.667   7.0371  738.415   19.871  722.019   27.767  755.624   28.448  516.724   9.9446  528.611   9.9594 -11.88745 14.07424 
1 1 1  -12   13   19 o  292.311   5.4091  230.992   8.5341  216.545   11.980  245.879   12.160  283.027   7.8330  301.596   7.4616 -18.56897 10.81812 
1 1 1  -12   13   20 f  557.494   10.400  840.530   31.329   0.0000   0.0000  840.530   31.329  ?   ?   557.494   10.400      ?      ? 
1 1 1  -12   13   21 o  253.540   5.5269  173.946   7.5640  168.967   10.851  178.653   10.550  250.003   8.0322  257.077   7.5942 -7.073837 11.05386 
1 1 1  -12   13   22 o  307.570   5.7177  255.698   9.4990  257.466   13.652  254.038   13.226  308.598   8.1866  306.542   7.9843 2.056549 11.43548 
1 1 1  -12   13   23 o  470.561   6.6277  598.708   16.851  589.865   23.668  607.799   23.998  467.037   9.3784  474.084   9.3676 -7.047211 13.25545 
1 1 1  -12   13   24 o  262.970   5.7113  187.121   8.1094  180.735   11.552  193.326   11.387  258.538   8.2690  267.401   7.8803 -8.863434 11.42255 
1 1 1  -12   13   25 o  350.042   5.8301  331.184   11.020  335.036   15.916  327.637   15.274  351.991   8.3680  348.092   8.1202 3.899872 11.66025 
1 1 1  -12   13   26 o  666.740   8.5748  1203.18   30.893  1195.04   43.618  1211.37   43.761  664.477   12.148  669.004   12.105 -4.526917 17.14962 
1 1 1  -12   13   28 o  880.966   10.923  2102.35   51.978  2061.33   72.321  2146.18   74.756  872.100   15.347  889.831   15.547 -17.73090 21.84559 
1 1 1  -12   13   29 o  162.071   8.1052   70.932   7.0834   77.754   10.268   64.737   9.7845  169.496   11.211  154.646   11.709 14.84978 16.21036 
1 1 1  -12   13   30 o  319.367   6.2081  275.757   10.704  278.445   15.509  273.311   14.791  320.846   8.9452  317.887   8.6107 2.958466 12.41620 
1 1 1  -12   13   31 o  631.785   8.2713  1080.93   28.237  1078.77   40.103  1083.05   39.764  631.153   11.759  632.418   11.636 -1.265259 16.54264 
1 1 1  -12   13   32 o  642.892   8.4091  1118.75   29.201  1091.69   40.588  1147.79   42.042  634.847   11.832  650.936   11.953 -16.08862 16.81810 
1 1 1  -12   13   33 o  466.491   6.8490  589.048   17.262  576.927   24.395  601.204   24.430  461.677   9.7787  471.306   9.5924 -9.629883 13.69804 
1 1 1  -12   13   34 o  450.792   6.7153  549.555   16.348  528.397   22.673  572.465   23.594  441.766   9.4980  459.819   9.4956 -18.05298 13.43051 
1 1 1  -12   13   35 o  326.591   6.1765  289.006   10.877  284.793   15.850  292.756   14.953  324.316   9.0441  328.866   8.4144 -4.550476 12.35303 
1 1 1  -12   13   36 o  317.391   8.5772  273.026   14.642  276.126   21.839  270.496   19.735  318.966   12.671  315.816   11.564 3.149933 17.15445 
1 1 1  -12   13   37 o  382.582   8.7386  397.632   18.050  390.090   25.923  404.730   25.147  379.013   12.657  386.151   12.052 -7.137512 17.47719 
1 1 1  -12   13   38 o   72.646   18.055   12.639   8.6603   15.367   13.672   10.811   11.192   77.747   26.816   67.544   24.183 10.20338 36.10962 
1 1 1  -12   13   39 o  531.472   9.0204  779.196   25.023  813.587   31.940  724.549   40.262  547.387   10.798  515.557   14.452 31.82959 18.04080 
1 1 1  -12   13   40 f  332.928   8.8073  301.687   15.844  301.351   22.328  302.027   22.487  332.749   12.418  333.107   12.493 -0.3581848 17.61463 
1 1 1  -12   13   41 o  177.557   10.562   86.235   10.134   87.477   14.420   85.023   14.244  178.823   14.923  176.291   14.952 2.531418 21.12481 
1 1 1  -12   13   42 o  230.392   9.0887  142.731   11.223  163.311   17.260  127.658   14.772  244.521   13.063  216.263   12.640 28.25826 18.17746 
1 1 1  -12   13   43 o  603.724   8.0559  992.686   26.273  964.154   36.672  1022.78   37.660  594.809   11.410  612.640   11.376 -17.83136 16.11177 
1 1 1  -12   13   44 o  339.689   5.9876  313.063   10.962  319.254   16.165  307.794   14.914  342.734   8.7285  336.644   8.1986 6.090942 11.97511 
1 1 1  -12   13   45 o  189.296   6.7405   97.488   6.8524   98.726   10.305   96.507   9.1746  190.290   10.022  188.302   9.0167 1.988754 13.48093 
1 1 1  -12   13   46 o  179.646   6.9999   88.254   6.7170   86.505   10.252   89.569   8.8914  177.946   10.662  181.345   9.0735 -3.399445 13.99989 
1 1 1  -12   13   47 o  169.594   7.2885   77.467   6.5919   85.443   10.366   72.051   8.5413  176.713   10.856  162.475   9.7285 14.23798 14.57705 
1 1 1  -12   13   48 f  124.524   9.0745   41.990   6.0451   48.703   9.3900   37.238   7.8999  132.817   13.084  116.231   12.578 16.58560 18.14897 
1 1 1  -12   13   49 o  158.931   7.7784   69.773   6.5903   66.918   10.063   71.917   8.7206  155.831   11.951  162.031   9.9600 -6.200256 15.55690 
1 1 1  -12   13   50 o  207.387   6.5219  118.275   7.2416  113.127   10.867  122.388   9.7127  203.105   9.9011  211.669   8.4917 -8.563873 13.04376 
1 1 1  -12   13   51 o  129.639   9.0869   47.959   6.1884   38.275   9.1951   55.976   8.3669  116.834   14.565  142.445   10.870 -25.61111 18.17373 
1 1 1  -12   13   52 o   45.912   13.403   0.3063   5.6677   7.3415   8.6445  -4.9980   7.5061   55.757   21.031   36.067   16.621 19.68928 26.80611 
1 1 1  -12   13   53 o  134.518   8.7257   50.582   6.3122   49.753   9.3463   51.278   8.5592  133.273   12.978  135.763   11.667 -2.489197 17.45138 
1 1 1  -12   13   54 o  169.849   9.2389   80.205   8.2447   77.710   10.437   84.347   13.447  167.062   11.561  172.637   14.414 -5.575073 18.47787 
1 1 1  -12   13   55 o   55.256   14.107   5.6939   5.9207   14.991   9.0582  -1.2413   7.8233   69.782   21.711   40.731   18.018 29.05112 28.21333 
1 1 1  -12   13   56 o  150.422   10.295   61.848   7.4723   71.599   14.633   58.408   8.6909  156.314   17.324  144.531   11.128 11.78320 20.58993 
1 1 1  -12   13   57 o  246.972   6.4673  169.043   8.5643  167.862   12.905  169.972   11.449  245.814   9.7156  248.130   8.5387 -2.315994 12.93454 
1 1 1  -12   13   58 o  145.074   8.4822   58.287   6.5608   66.952   10.359   52.485   8.4777  153.631   12.479  136.517   11.492 17.11449 16.96431 
1 1 1  -12   13   59 f  137.679   9.1118   55.005   6.6013   49.887   10.261   58.618   8.6226  131.134   14.481  144.223   11.064 -13.08855 18.22367 
1 1 1  -12   13   60 o  109.024   11.948   37.110   6.6539   30.413   9.9178   42.592   8.9730   97.303   19.541  120.745   13.752 -23.44158 23.89528 
1 1 1  -12   13   61 o  108.570   12.427   36.922   6.9315   29.453   10.068   43.652   9.5572   95.336   20.172  121.804   14.520 -26.46758 24.85496 
1 1 1  -12   13   62 o   61.653   14.983   10.731   6.6986   19.780   9.6621   2.3564   9.2950   76.415   22.127   46.892   20.207 29.52231 29.96552 
1 1 1  -12   13   63 o  107.676   12.125   37.310   6.9954   39.637   10.699   35.572   9.2454  109.607   18.064  105.745   16.180 3.861656 24.25080 
1 1 1  -12   13   64 o   67.081   17.882   17.296   9.0551   12.890   14.064   20.417   11.835   61.677   25.621   72.485   24.952 -10.80806 35.76409 
1 1 1  -12   13   65 o   88.452   17.406   33.163   9.4043   20.511   13.379   45.518   13.222   67.737   26.015  109.168   23.132 -41.43048 34.81233 
1 1 1  -12   14    1 o  201.715   9.7083  111.137   10.450  102.500   15.708  117.995   13.997  194.589   14.938  208.842   12.403 -14.25308 19.41658 
1 1 1  -12   14    2 o  377.112   8.6053  384.931   17.526  374.324   24.947  395.270   24.629  371.970   12.411  382.255   11.923 -10.28491 17.21068 
1 1 1  -12   14    3 o  693.971   8.7917  1302.85   32.966  1307.38   46.954  1298.44   46.296  695.156   12.500  692.785   12.367 2.370667 17.58342 
1 1 1  -12   14    4 o  366.836   5.7331  363.550   11.356  369.522   16.432  358.091   15.712  369.715   8.2250  363.957   7.9891 5.757324 11.46627 
1 1 1  -12   14    5 o  457.790   6.4722  566.647   16.008  565.383   22.839  567.867   22.444  457.285   9.2426  458.295   9.0628 -1.009796 12.94446 
1 1 1  -12   14    6 o  730.402   9.2149  1443.38   36.369  1447.37   51.653  1439.45   51.216  731.402   13.069  729.402   12.994 2.000000 18.42988 
1 1 1  -12   14    7 o  1249.97   15.059  4236.19  101.701  4193.72  142.490  4280.30  145.202  1243.61   21.204  1256.34   21.388 -12.73157 30.11749 
1 1 1  -12   14    8 o  529.623   10.042  758.471   28.741   0.0000   0.0000  758.471   28.741  ?   ?   529.623   10.042      ?      ? 
1 1 1  -12   14    9 o  440.634   6.3417  524.608   15.091  533.586   21.776  516.311   20.934  444.257   9.0711  437.012   8.8648 7.244202 12.68340 
1 1 1  -12   14   10 o  379.352   5.9051  388.838   12.100  374.186   16.926  404.153   17.305  372.045   8.4193  386.659   8.2824 -14.61429 11.81030 
1 1 1  -12   14   11 o  1244.90   14.992  4201.94  100.848  4197.78  142.577  4206.11  142.665  1244.28   21.205  1245.52   21.197 -1.235840 29.98303 
1 1 1  -12   14   12 o  702.990   8.9154  1336.72   33.864  1320.50   47.504  1353.47   48.287  698.658   12.583  707.322   12.634 -8.664368 17.83079 
1 1 1  -12   14   13 f   84.833   10.720   19.933   4.7395   19.109   7.2374   20.553   6.2713   82.512   16.803   87.154   13.316 -4.641983 21.43990 
1 1 1  -12   14   14 o  114.735   8.1030   35.678   4.9910   34.965   7.4583   36.255   6.7164  113.688   12.141  115.782   10.735 -2.093964 16.20607 
1 1 1  -12   14   15 f  899.193   15.613  2189.20   75.860   0.0000   0.0000  2189.20   75.860  ?   ?   899.193   15.613      ?      ? 
1 1 1  -12   14   16 o  440.997   6.3696  525.892   15.177  520.365   21.574  531.307   21.354  438.700   9.1006  443.295   8.9144 -4.594940 12.73920 
1 1 1  -12   14   17 o  117.000   8.2886   37.334   5.1974   33.359   7.5621   40.893   7.1551  111.038   12.603  122.962   10.768 -11.92474 16.57720 
1 1 1  -12   14   18 o  656.501   8.4239  1165.92   29.881  1167.42   42.561  1164.46   41.962  656.912   11.990  656.089   11.836 0.8229370 16.84786 
1 1 1  -12   14   19 o  415.884   6.2428  467.723   14.027  458.418   19.875  476.957   19.799  411.759   8.9325  420.010   8.7236 -8.250641 12.48563 
1 1 1  -12   14   20 o  1285.97   15.494  4488.88  107.662  4498.88  152.765  4479.01  151.755  1287.39   21.960  1284.57   21.862 2.819458 30.98708 
1 1 1  -12   14   21 o  435.737   6.4550  513.452   15.197  512.487   21.659  514.388   21.327  435.331   9.2074  436.144   9.0493 -0.8133850 12.90996 
1 1 1  -12   14   22 o  534.755   7.2742  773.578   21.019  770.102   29.773  777.031   29.678  533.555   10.327  535.955   10.248 -2.400208 14.54836 
1 1 1  -12   14   23 o  113.564   9.2169   34.928   5.6195   40.357   8.0912   29.869   7.8106  122.105   12.263  105.022   13.763 17.08334 18.43370 
1 1 1  -12   14   24 o  210.158   6.5117  119.410   7.3934  121.524   10.585  117.396   10.331  211.973   9.2414  208.343   9.1765 3.629440 13.02350 
1 1 1  -12   14   25 f  855.771   10.644  1980.44   49.158  1916.47   67.474  2052.80   71.764  841.102   14.846  870.440   15.257 -29.33820 21.28803 
1 1 1  -12   14   26 o  825.295   10.329  1841.57   45.999  1776.92   63.050  1915.14   67.259  809.873   14.407  840.718   14.805 -30.84509 20.65815 
1 1 1  -12   14   27 o  1116.05   13.585  3381.09   81.906  3328.75  114.188  3436.55  117.550  1107.20   19.086  1124.91   19.338 -17.70935 27.17050 
1 1 1  -12   14   29 o  256.509   8.6396  177.979   11.975   0.0000   0.0000  177.979   11.975  ?   ?   256.509   8.6396      ?      ? 
1 1 1  -12   14   30 o  406.546   8.9961  447.206   19.763   0.0000   0.0000  447.206   19.763  ?   ?   406.546   8.9961      ?      ? 
1 1 1  -12   14   31 o  228.757   6.6747  141.466   8.2455  145.730   11.924  137.559   11.415  232.054   9.5091  225.460   9.3692 6.593628 13.34931 
1 1 1  -12   14   32 o  290.752   6.3166  228.806   9.9160  228.181   14.307  229.384   13.756  290.359   9.1185  291.144   8.7437 -0.7844849 12.63324 
1 1 1  -12   14   33 o   72.396   15.263   13.967   6.4745   18.705   9.8273   10.333   8.6063   81.340   21.881   63.452   21.286 17.88836 30.52626 
1 1 1  -12   14   34 o  273.684   6.5114  202.854   9.5843  202.673   14.259  203.004   12.945  273.543   9.6467  273.826   8.7483 -0.2837830 13.02273 
1 1 1  -12   14   35 o  253.585   8.8703  171.195   11.918  191.126   19.207  158.716   15.198  265.275   13.399  241.895   11.627 23.38008 17.74056 
1 1 1  -12   14   36 o  441.214   9.3520  529.223   22.278  524.324   32.085  533.784   30.958  439.184   13.520  443.244   12.925 -4.059937 18.70407 
1 1 1  -12   14   37 o  248.064   7.5461  163.615   9.8242  153.671   12.331  180.901   16.257  238.059   9.5854  258.069   11.657 -20.00993 15.09223 
1 1 1  -12   14   38 o  307.560   7.7210  250.753   12.153  238.621   14.797  275.901   21.304  296.631   9.2317  318.489   12.379 -21.85852 15.44204 
1 1 1  -12   14   39 o  461.334   9.7125  579.376   24.191  555.631   33.384  605.631   35.103  451.413   13.686  471.255   13.785 -19.84216 19.42498 
1 1 1  -12   14   40 o  315.558   8.6869  270.206   14.770  286.937   21.926  256.306   19.984  324.411   12.508  306.705   12.058 17.70636 17.37370 
1 1 1  -12   14   41 o  259.671   7.6719  188.206   9.9058  171.306   17.490  196.188   12.019  250.463   12.923  268.878   8.2726 -18.41536 15.34371 
1 1 1  -12   14   42 o  274.424   6.1385  205.048   9.0775  190.757   12.981  218.722   12.698  264.979   9.0661  283.868   8.2783 -18.88919 12.27704 
1 1 1  -12   14   43 o  213.571   6.4539  123.353   7.3991  129.893   11.236  118.345   9.8321  218.481   9.5170  208.662   8.7200 9.818619 12.90777 
1 1 1  -12   14   44 o  118.261   9.6099   38.487   6.0619   38.022   9.3170   38.828   7.9824  117.478   14.677  119.043   12.409 -1.565681 19.21972 
1 1 1  -12   14   45 o  325.550   8.1963  288.240   14.419   0.0000   0.0000  288.240   14.419  ?   ?   325.550   8.1963      ?      ? 
1 1 1  -12   14   46 o  180.673   6.9898   88.533   6.7175   92.446   10.565   85.877   8.7036  183.854   10.634  177.493   9.0746 6.361206 13.97950 
1 1 1  -12   14   47 o   65.606   14.601   12.095   5.7141   13.350   8.8656   11.203   7.4735   68.321   21.515   62.891   19.746 5.430153 29.20255 
1 1 1  -12   14   48 o   56.985   13.350   5.0799   5.5088   17.353   8.8009  -2.8260   7.0637   76.553   20.754   37.417   16.798 39.13537 26.70055 
1 1 1  -12   14   49 o  150.866   7.9080   61.127   6.3618   72.931   10.032   53.188   8.2276  162.690   11.412  139.042   10.951 23.64856 15.81603 
1 1 1  -12   14   50 o  142.522   8.4361   55.815   6.4643   60.743   9.7588   51.962   8.6290  148.003   12.202  137.042   11.652 10.96063 16.87226 
1 1 1  -12   14   51 o  130.920   9.0469   47.349   6.3320   50.457   9.8087   45.128   8.2909  134.345   13.511  127.495   12.034 6.849884 18.09377 
1 1 1  -12   14   52 f  298.366   6.1160  244.944   9.8353  227.116   13.998  262.325   13.822  287.416   9.0132  309.315   8.2694 -21.89917 12.23192 
1 1 1  -12   14   53 o  117.969   12.478   38.256   7.5634   30.196   9.4483   52.635   12.620  100.868   17.995  135.070   17.290 -34.20290 24.95520 
1 1 1  -12   14   54 o   57.417   16.172   7.0932   7.3459   7.3108   9.1960   6.7095   12.211   55.737   21.525   59.098   24.141 -3.361061 32.34360 
1 1 1  -12   14   55 o   48.466   14.730   1.9795   6.5004   0.6360   11.985   2.5394   7.7373   51.479   22.553   45.452   18.953 6.026939 29.45933 
1 1 1  -12   14   56 o  153.106   8.3472   66.233   6.8269   64.060   10.358   67.901   9.0776  150.368   12.748  155.843   10.779 -5.474991 16.69431 
1 1 1  -12   14   57 o   68.703   14.168   14.970   6.2102   5.7947   9.4596   21.919   8.2326   53.073   21.405   84.332   18.568 -31.25908 28.33672 
1 1 1  -12   14   58 o  196.965   7.2805  108.569   7.6945  110.052   11.613  107.409   10.273  197.759   10.868  196.172   9.6911 1.586823 14.56092 
1 1 1  -12   14   59 o  162.593   8.3862   76.071   7.2899   70.460   10.849   80.690   9.8434  156.325   12.843  168.861   10.788 -12.53575 16.77243 
1 1 1  -12   14   60 o  181.104   7.7921   93.056   7.6047   96.027   11.241   90.549   10.326  183.500   11.337  178.708   10.694 4.792068 15.58424 
1 1 1  -12   14   61 o   93.306   13.799   27.990   6.8170   23.919   10.117   31.376   9.2260   84.547   21.950  102.064   16.728 -17.51669 27.59807 
1 1 1  -12   14   62 o   54.758   16.036   8.1181   7.3141   13.601   12.889   5.5139   8.8828   61.215   24.881   48.302   20.238 12.91265 32.07206 
1 1 1  -12   14   63 o   42.834   14.369 -13.6090   8.8203   5.6171   14.031 -26.1712   11.342   54.508   24.120   31.160   15.623 23.34822 28.73797 
1 1 1  -12   14   64 o   88.922   18.761   34.050   9.6507   36.689   14.515   31.959   12.920   90.893   27.333   86.952   25.705 3.940529 37.52151 
1 1 1  -12   15    1 o  453.653   6.5298  553.315   15.957  517.791   21.550  596.429   23.742  437.629   9.1130  469.678   9.3545 -32.04916 13.05964 
1 1 1  -12   15    3 o  799.122   9.9667  1728.08   43.037  1729.84   61.077  1726.35   60.652  799.522   14.137  798.722   14.053 0.7997437 19.93334 
1 1 1  -12   15    4 o  805.057   10.070  1753.83   43.807  1741.73   61.641  1766.18   62.267  802.253   14.219  807.861   14.264 -5.608032 20.14044 
1 1 1  -12   15    5 f  1045.39   12.728  2960.27   71.897  2970.09  102.089  2950.61  101.271  1047.10   18.043  1043.67   17.957 3.427002 25.45572 
1 1 1  -12   15    6 o  605.632   7.9302  992.030   25.950  991.390   36.929  992.654   36.474  605.435   11.288  605.828   11.142 -0.3938599 15.86040 
1 1 1  -12   15    7 o  580.640   7.6671  911.706   24.053  916.511   34.347  907.082   33.694  582.137   10.919  579.143   10.767 2.994324 15.33417 
1 1 1  -12   15    8 o  1107.02   13.426  3320.99   80.307  3336.59  114.217  3305.74  112.936  1109.58   19.050  1104.46   18.923 5.119263 26.85103 
1 1 1  -12   15    9 o  273.188   5.6026  201.603   8.2622  189.135   11.528  214.773   11.848  264.506   8.0652  281.869   7.7786 -17.36313 11.20516 
1 1 1  -12   15   11 o  676.260   8.6502  1236.86   31.601  1251.65   45.344  1222.90   44.064  680.181   12.337  672.338   12.129 7.843018 17.30049 
1 1 1  -12   15   12 o  1144.91   13.856  3553.49   85.720  3542.18  120.945  3564.91  121.511  1143.08   19.580  1146.74   19.609 -3.656616 27.71132 
1 1 1  -12   15   13 o  654.007   8.4390  1155.28   29.795  1117.22   41.049  1197.66   43.314  642.648   11.821  665.366   12.047 -22.71838 16.87794 
1 1 1  -12   15   14 o  302.116   5.6860  246.610   9.2620  248.769   13.584  244.734   12.661  303.345   8.2872  300.886   7.7874 2.459198 11.37195 
1 1 1  -12   15   15 o  605.024   7.9427  990.034   25.966  974.877   36.534  1005.51   36.911  600.343   11.262  609.704   11.203 -9.361145 15.88539 
1 1 1  -12   15   16 o  864.136   10.723  2020.73   50.055  1980.79   69.707  2063.24   71.923  855.335   15.082  872.936   15.247 -17.60052 21.44628 
1 1 1  -12   15   18 o  626.162   8.1878  1060.52   27.700  1043.42   38.789  1078.32   39.571  621.013   11.559  631.312   11.600 -10.29871 16.37568 
1 1 1  -12   15   19 o  967.310   11.885  2531.16   62.034  2449.06   85.044  2624.52   90.686  950.625   16.556  983.996   17.055 -33.37164 23.76909 
1 1 1  -12   15   20 o  821.636   10.264  1828.52   45.569  1818.74   64.290  1838.40   64.601  819.427   14.519  823.846   14.511 -4.419189 20.52771 
1 1 1  -12   15   21 o  193.199   9.9663  100.971   10.405  100.971   10.405   0.0000   0.0000  193.199   9.9663  ?   ?       ?      ? 
1 1 1  -12   15   22 o  576.392   7.7933  898.865   24.272  885.406   34.194  912.532   34.458  572.040   11.062  580.743   10.980 -8.703003 15.58659 
1 1 1  -12   15   24 f  590.251   11.218  942.872   35.781   0.0000   0.0000  942.872   35.781  ?   ?   590.251   11.218      ?      ? 
1 1 1  -12   15   25 o  243.462   9.4344  160.344   12.412   0.0000   0.0000  160.344   12.412  ?   ?   243.462   9.4344      ?      ? 
1 1 1  -12   15   26 o  304.455   6.5575  250.971   10.774  245.494   15.543  256.036   14.947  301.244   9.5484  307.667   8.9907 -6.422089 13.11502 
1 1 1  -12   15   27 o  335.167   6.3457  303.977   11.488  300.223   16.424  307.573   16.075  333.134   9.1236  337.200   8.8223 -4.066925 12.69149 
1 1 1  -12   15   28 o  647.283   8.5219  1134.91   29.806  1124.62   42.086  1145.26   42.219  644.336   12.088  650.231   12.016 -5.895447 17.04379 
1 1 1  -12   15   29 o  332.579   6.3497  299.454   11.401  294.503   16.389  304.097   15.872  329.902   9.1933  335.256   8.7611 -5.354126 12.69935 
1 1 1  -12   15   30 f  495.439   7.1191  663.988   19.052  642.037   26.528  687.370   27.379  486.988   10.081  503.890   10.055 -16.90170 14.23821 
1 1 1  -12   15   31 o  509.900   7.2633  704.092   20.009  685.969   28.090  722.761   28.510  503.233   10.330  516.567   10.214 -13.33374 14.52669 
1 1 1  -12   15   32 o  834.375   10.484  1891.52   47.263  1866.90   66.256  1917.02   67.441  828.860   14.793  839.891   14.860 -11.03052 20.96767 
1 1 1  -12   15   33 o  301.092   8.2928  257.181   12.507  213.423   21.190  280.578   15.494  280.288   13.990  321.896   8.9078 -41.60834 16.58554 
1 1 1  -12   15   34 o  1036.63   18.177  2962.33  101.797  2984.23  145.700  2941.44  142.285  1040.20   25.921  1033.06   25.489 7.136353 36.35349 
1 1 1  -12   15   35 o  550.004   10.680  824.337   31.716  817.342   45.663  830.856   44.085  547.651   15.430  552.358   14.770 -4.707031 21.35999 
1 1 1  -12   15   36 o  455.543   8.4784  564.100   19.740  564.285   24.266  563.739   33.943  456.091   9.8459  454.994   13.806 1.097198 16.95687 
1 1 1  -12   15   37 o  615.729   11.755  1037.10   39.108  1025.68   54.888  1048.87   55.736  612.303   16.589  619.156   16.659 -6.853394 23.50987 
1 1 1  -12   15   38 o  442.508   9.6164  533.281   22.964  549.775   33.521  518.694   31.524  448.877   13.820  436.139   13.376 12.73810 19.23287 
1 1 1  -12   15   39 o  373.496   9.1155  380.758   18.391  380.180   26.354  381.306   25.676  373.167   13.069  373.824   12.711 -0.6572571 18.23092 
1 1 1  -12   15   40 o  234.906   6.4944  150.676   8.1912  141.312   12.049  158.722   11.169  228.000   9.7797  241.811   8.5479 -13.81120 12.98882 
1 1 1  -12   15   41 o  288.115   6.0521  223.442   9.3652  243.128   14.230  208.400   12.439  299.169   8.8026  277.061   8.3082 22.10791 12.10422 
1 1 1  -12   15   42 o   81.349   13.919   19.403   6.0216   17.151   9.3120   21.021   7.8942   77.062   21.531   85.635   17.646 -8.573456 27.83840 
1 1 1  -12   15   43 o  172.079   7.4886   80.775   6.9215   81.425   10.390   80.257   9.2806  172.606   11.140  171.552   10.011 1.053970 14.97727 
1 1 1  -12   15   44 o  133.880   8.7363   48.769   6.2403   51.584   9.7330   46.805   8.1316  137.001   13.147  130.759   11.508 6.241623 17.47269 
1 1 1  -12   15   45 o  464.077   6.8366  587.944   17.130  586.539   24.722  589.242   23.757  463.443   9.8717  464.711   9.4607 -1.268341 13.67311 
1 1 1  -12   15   46 o   38.780   12.532  -4.9026   5.7691  -3.8436   8.9614  -5.6521   7.5391   41.723   18.809   35.838   16.565 5.885677 25.06359 
1 1 1  -12   15   47 o   87.503   13.121   22.632   5.9310   21.026   9.2561   23.751   7.7254   84.175   20.533   90.830   16.341 -6.655106 26.24131 
1 1 1  -12   15   48 o  111.281   10.049   33.591   5.9623   41.023   9.3712   28.536   7.7283  121.333   14.293  101.230   14.128 20.10298 20.09731 
1 1 1  -12   15   49 o  185.517   7.2464   94.858   7.1719   93.866   11.020   95.587   9.4463  184.394   11.060  186.640   9.3664 -2.245789 14.49284 
1 1 1  -12   15   50 o  248.198   6.3314  168.968   8.4181  169.079   12.767  168.882   11.197  248.025   9.5260  248.372   8.3426 -0.3471680 12.66272 
1 1 1  -12   15   51 o   74.125   12.226   13.795   5.8476   31.183   8.9796   0.9923   7.7054  104.614   15.885   43.635   18.591 60.97881 24.45272 
1 1 1  -12   15   52 o  196.385   8.4945  105.847   8.7560  100.502   11.020  115.000   14.421  190.409   10.710  202.362   13.188 -11.95265 16.98901 
1 1 1  -12   15   53 o   42.082   13.550  -8.4926   6.8030 -15.7131   8.6239   3.4032   11.069   30.880   15.146   53.284   22.472 -22.40318 27.09954 
1 1 1  -12   15   54 o   60.360   15.953   7.2089   6.4883   17.342   12.467   3.4447   7.5984   74.157   25.606   46.564   19.034 27.59335 31.90553 
1 1 1  -12   15   55 o  186.419   7.4820   96.531   7.3649   99.436   11.798   94.676   9.4273  188.091   11.608  184.747   9.4432 3.343475 14.96398 
1 1 1  -12   15   56 o  119.907   11.334   44.657   6.6374   31.058   10.170   54.748   8.7605  100.321   19.462  139.494   11.622 -39.17315 22.66823 
1 1 1  -12   15   57 o  197.807   7.0982  107.727   7.5146  122.225   11.654   97.409   9.8315  208.820   10.328  186.793   9.7402 22.02740 14.19640 
1 1 1  -12   15   58 o  110.482   11.946   38.238   6.6004   30.826   10.282   43.433   8.6080   98.160   20.063  122.803   12.972 -24.64325 23.89112 
1 1 1  -12   15   59 o  137.197   9.3646   53.321   6.8329   68.470   10.604   42.564   8.9356  153.773   12.761  120.620   13.709 33.15293 18.72928 
1 1 1  -12   15   60 o  183.011   11.708   95.536   11.578   95.536   11.578   0.0000   0.0000  183.011   11.708  ?   ?       ?      ? 
1 1 1  -12   15   61 o  277.621   8.4929  233.101   11.744  202.568   20.113  248.895   14.465  258.677   14.389  296.566   9.0265 -37.88919 16.98585 
1 1 1  -12   15   62 o   38.930   13.466 -15.8398   8.7806  -7.2387   14.306 -21.0383   11.122   45.203   21.490   32.658   16.231 12.54480 26.93113 
1 1 1  -12   15   63 o  131.351   15.165   62.658   9.9840   53.423   15.543   69.144   13.027  115.988   25.494  146.713   16.432 -30.72542 30.33079 
1 1 1  -12   16    3 f  891.254   11.037  2150.74   53.155  2150.04   75.270  2151.44   75.076  891.106   15.632  891.402   15.586 -0.2963257 22.07444 
1 1 1  -12   16    5 o  952.913   11.720  2457.91   60.322  2413.86   83.853  2505.17   86.843  944.088   16.437  961.739   16.711 -17.65131 23.43950 
1 1 1  -12   16    6 o  603.061   7.9887  983.330   26.028  964.190   36.365  1003.43   37.269  597.049   11.272  609.074   11.324 -12.02521 15.97735 
1 1 1  -12   16    7 o  188.691   9.0544   96.266   9.2321   0.0000   0.0000   96.266   9.2321  ?   ?   188.691   9.0544      ?      ? 
1 1 1  -12   16    8 o  326.681   5.9506  288.011   10.495  274.201   14.500  303.207   15.211  318.471   8.4256  334.892   8.4053 -16.42184 11.90128 
1 1 1  -12   16    9 o  1137.30   13.812  3505.46   84.866  3458.81  118.519  3554.55  121.578  1129.56   19.417  1145.04   19.649 -15.48157 27.62472 
1 1 1  -12   16   10 o  527.594   7.2809  752.776   20.756  742.263   29.295  763.375   29.414  523.893   10.348  531.296   10.245 -7.403320 14.56183 
1 1 1  -12   16   11 o  475.744   6.8526  612.091   17.614  606.107   25.009  617.982   24.814  473.432   9.7757  478.055   9.6056 -4.622375 13.70513 
1 1 1  -12   16   12 o  362.574   6.1262  355.242   11.989  359.273   17.410  351.607   16.535  364.524   8.8387  360.624   8.4851 3.899445 12.25237 
1 1 1  -12   16   13 o  1111.46   13.499  3347.50   81.043  3287.06  112.656  3412.32  116.673  1101.10   18.934  1121.82   19.247 -20.71973 26.99885 
1 1 1  -12   16   14 o  702.252   9.0056  1333.41   34.156  1297.72   47.379  1372.04   49.286  692.483   12.662  712.022   12.810 -19.53931 18.01130 
1 1 1  -12   16   15 o  270.297   5.9946  197.663   8.7469  194.671   12.600  200.446   12.152  268.316   8.6900  272.277   8.2597 -3.960907 11.98913 
1 1 1  -12   16   16 f  367.383   6.1624  365.180   12.224  359.129   17.549  370.884   17.038  364.418   8.9116  370.348   8.5138 -5.930573 12.32476 
1 1 1  -12   16   17 o  290.455   6.1186  227.588   9.5893  211.693   13.225  245.208   13.924  279.785   8.7477  301.125   8.5574 -21.34006 12.23729 
1 1 1  -12   16   18 o  790.912   9.9705  1691.52   42.566  1639.57   58.556  1749.74   61.984  778.077   13.927  803.747   14.272 -25.66968 19.94098 
1 1 1  -12   16   19 o  341.585   9.0640  315.559   16.730  315.559   16.730   0.0000   0.0000  341.585   9.0640  ?   ?       ?      ? 
1 1 1  -12   16   20 o  1008.00   12.384  2754.50   67.442  2716.74   94.233  2794.16   96.564  1000.94   17.422  1015.06   17.605 -14.12256 24.76840 
1 1 1  -12   16   21 f   68.037   15.259   11.331   6.6671   4.9950   9.1493   18.504   9.7353   54.941   21.400   81.134   21.758 -26.19292 30.51809 
1 1 1  -12   16   22 o  135.844   9.8439   49.859   7.1959   51.367   10.742   48.632   9.6916  137.689   14.438  133.999   13.385 3.689636 19.68779 
1 1 1  -12   16   23 o  507.475   7.3428  696.784   20.132  679.908   28.343  713.969   28.602  501.268   10.464  513.682   10.304 -12.41412 14.68562 
1 1 1  -12   16   24 f  686.719   8.9412  1276.99   33.179  1270.45   46.958  1283.52   46.886  684.956   12.687  688.481   12.603 -3.525208 17.88248 
1 1 1  -12   16   25 o  415.767   6.6929  467.487   15.033  454.020   21.021  481.586   21.507  409.639   9.4963  421.895   9.4340 -12.25616 13.38582 
1 1 1  -12   16   26 o  762.456   9.7160  1574.94   40.015  1539.54   55.654  1612.83   57.575  753.605   13.667  771.307   13.814 -17.70197 19.43207 
1 1 1  -12   16   27 o  738.449   13.352  1478.07   53.280   0.0000   0.0000  1478.07   53.280  ?   ?   738.449   13.352      ?      ? 
1 1 1  -12   16   28 o  327.314   6.4104  289.854   11.314  265.095   15.808  315.855   16.200  312.970   9.3475  341.657   8.7748 -28.68655 12.82080 
1 1 1  -12   16   29 o   59.422   14.877   5.8395   6.6470   15.174   9.7219  -2.3548   9.1086   74.212   22.381   44.633   19.605 29.57942 29.75331 
1 1 1  -12   16   30 o  480.471   9.8449  625.305   25.560   0.0000   0.0000  625.305   25.560  ?   ?   480.471   9.8449      ?      ? 
1 1 1  -12   16   31 o  551.363   9.4195  830.332   26.494  810.135   45.455  840.724   32.605  545.801   15.412  556.925   10.834 -11.12463 18.83910 
1 1 1  -12   16   32 o  153.548   14.112   70.338   10.438   42.590   15.620   92.725   14.030  122.384   24.475  184.711   14.057 -62.32748 28.22396 
1 1 1  -12   16   33 o  351.858   8.9103  337.560   16.878  313.513   24.318  359.910   23.444  339.622   13.251  364.094   11.916 -24.47183 17.82061 
1 1 1  -12   16   34 o  215.416   8.8452  119.662   9.9298  103.353   12.228  151.239   17.015  195.066   11.601  235.765   13.355 -40.69887 17.69040 
1 1 1  -12   16   35 o  377.384   9.1476  386.741   18.622  373.874   25.447  401.577   27.324  370.690   12.704  384.078   13.165 -13.38864 18.29525 
1 1 1  -12   16   36 o  699.901   13.003  1344.39   49.155  1369.82   70.801  1320.72   68.299  706.186   18.554  693.615   18.223 12.57080 26.00584 
1 1 1  -12   16   37 o  440.115   9.6174  528.591   22.868  518.243   31.984  539.414   32.710  435.716   13.584  444.515   13.618 -8.799622 19.23483 
1 1 1  -12   16   38 o  443.690   8.2836  542.679   18.705  517.793   32.033  555.555   23.042  435.205   13.621  452.174   9.4302 -16.96945 16.56714 
1 1 1  -12   16   39 o  382.342   6.3637  396.210   13.118  409.080   19.322  385.203   17.868  388.041   9.2146  376.642   8.7793 11.39908 12.72735 
1 1 1  -12   16   40 o  529.525   7.4144  763.852   21.211  757.099   30.214  770.414   29.785  527.168   10.607  531.883   10.363 -4.714966 14.82878 
1 1 1  -12   16   41 o   49.979   14.264   3.2420   5.9382   4.8275   8.8062   1.9200   8.0416   53.084   20.901   46.874   19.415 6.209923 28.52709 
1 1 1  -12   16   42 o  290.968   8.2568  230.224   12.982   0.0000   0.0000  230.224   12.982  ?   ?   290.968   8.2568      ?      ? 
1 1 1  -12   16   43 o  373.789   6.3512  380.578   12.806  380.860   18.670  380.327   17.598  373.831   9.2424  373.747   8.7137 0.8309937E-01 12.70239 
1 1 1  -12   16   44 o  120.469   9.9568   40.819   6.3200   36.223   9.7495   44.150   8.3000  114.168   15.803  126.771   12.116 -12.60302 19.91362 
1 1 1  -12   16   45 o  238.176   6.3807  155.924   8.1478  144.865   12.027  165.304   11.077  230.131   9.6717  246.221   8.3253 -16.09027 12.76131 
1 1 1  -12   16   46 o  363.639   6.2567  361.239   12.256  361.492   18.057  361.023   16.689  363.599   9.1905  363.679   8.4924 -0.8020020E-01 12.51344 
1 1 1  -12   16   47 o  133.535   9.0160   48.695   6.4458   54.667   9.9767   44.416   8.4451  140.354   13.154  126.715   12.334 13.63925 18.03208 
1 1 1  -12   16   48 o   52.173   13.989   3.5231   5.8646   12.161   9.0110  -2.8241   7.7244   65.248   21.781   39.098   17.559 26.15010 27.97729 
1 1 1  -12   16   49 o  251.828   6.4492  174.483   8.7139  170.501   13.037  177.699   11.716  248.970   9.6901  254.687   8.5129 -5.717148 12.89831 
1 1 1  -12   16   50 o   79.912   12.706   20.542   6.0198   5.7546   9.1724   31.731   7.9786   53.670   21.268  106.155   13.909 -52.48448 25.41217 
1 1 1  -12   16   51 o   91.855   13.017   24.404   6.3230   33.499   9.6182   17.482   8.3911  108.064   16.471   75.645   20.162 32.41861 26.03474 
1 1 1  -12   16   52 o   45.480   14.476  -2.7461   7.4276   0.9050   9.0924 -10.0698   12.877   46.386   19.987   44.574   20.947 1.812366 28.95255 
1 1 1  -12   16   53 o  142.780   10.847   56.824   7.6777   63.491   14.259   54.101   9.1113  146.866   17.967  138.694   12.157 8.171890 21.69346 
1 1 1  -12   16   54 o   48.138   14.979  -0.3218   6.7318   4.3896   12.951  -2.0660   7.8800   56.655   24.119   39.621   17.768 17.03410 29.95728 
1 1 1  -12   16   55 o  123.713   10.165   42.105   6.6020   59.346   10.490   30.795   8.4956  144.266   13.456  103.160   15.240 41.10612 20.33043 
1 1 1  -12   16   56 o  176.044   7.8499   87.516   7.4013   85.977   11.166   88.722   9.8848  174.141   11.866  177.946   10.280 -3.805069 15.69977 
1 1 1  -12   16   57 o   52.174   14.791   6.2114   6.3912   4.1017   9.6107   7.8841   8.5577   50.067   21.018   54.281   20.816 -4.214142 29.58146 
1 1 1  -12   16   58 o  192.838   7.6487  105.023   7.9023  110.792   12.105  100.738   10.432  196.919   11.376  188.757   10.228 8.161850 15.29738 
1 1 1  -12   16   59 o   82.368   23.068   23.124   10.676   23.124   10.676   0.0000   0.0000   82.368   23.068  ?   ?       ?      ? 
1 1 1  -12   16   60 o  199.230   10.947  124.393   11.336  101.419   17.247  141.869   15.042  178.768   17.854  219.693   12.671 -40.92429 21.89330 
1 1 1  -12   16   61 o   48.968   15.758   1.1900   9.0461  -1.2845   14.652   2.7140   11.499   49.270   22.886   48.666   21.670 0.6036568 31.51698 
1 1 1  -12   16   62 o   55.568   15.975   8.0019   7.9063   0.0684   10.533   18.241   11.966   44.095   20.081   67.040   24.851 -22.94501 31.95048 
1 1 1  -12   17    2 o  950.090   11.720  2444.37   60.157  2409.79   84.044  2480.69   86.145  943.215   16.490  956.965   16.659 -13.75000 23.43982 
1 1 1  -12   17    3 o  693.269   8.9665  1300.23   33.586  1283.07   47.042  1318.07   47.967  688.608   12.642  697.931   12.719 -9.322876 17.93291 
1 1 1  -12   17    4 f  481.401   6.9492  626.580   18.069  630.812   25.989  622.620   25.138  482.968   9.9584  479.833   9.6951 3.134460 13.89834 
1 1 1  -12   17    5 o  628.950   8.3044  1070.21   28.222  1068.69   40.126  1071.69   39.701  628.504   11.815  629.396   11.673 -0.8927612 16.60888 
1 1 1  -12   17    6 o  277.322   6.1358  208.083   9.1860  204.176   13.209  211.742   12.783  274.794   8.8956  279.849   8.4534 -5.055359 12.27158 
1 1 1  -12   17    7 f  299.093   6.2393  241.928   10.082  237.645   14.303  246.157   14.214  296.459   8.9281  301.727   8.7180 -5.268250 12.47857 
1 1 1  -12   17    8 o  802.086   10.125  1741.03   43.872  1709.78   61.180  1774.12   62.947  794.687   14.247  809.485   14.391 -14.79791 20.25014 
1 1 1  -12   17    9 o  1209.90   20.774  3972.82  135.821   0.0000   0.0000  3972.82  135.821  ?   ?   1209.90   20.774      ?      ? 
1 1 1  -12   17   10 o  1066.24   13.049  3080.86   75.150  3018.42  104.377  3148.07  108.288  1055.06   18.308  1077.42   18.600 -22.35913 26.09839 
1 1 1  -12   17   11 o  566.345   7.7010  867.545   23.564  854.577   32.996  881.043   33.664  562.029   10.865  570.662   10.917 -8.633057 15.40194 
1 1 1  -12   17   12 o  622.791   11.627  1049.61   39.129   0.0000   0.0000  1049.61   39.129  ?   ?   622.791   11.627      ?      ? 
1 1 1  -12   17   13 o  445.935   9.5058  537.865   22.906   0.0000   0.0000  537.865   22.906  ?   ?   445.935   9.5058      ?      ? 
1 1 1  -12   17   14 o  656.142   8.6288  1165.21   30.592  1148.57   43.061  1182.17   43.469  651.410   12.233  660.873   12.172 -9.463318 17.25751 
1 1 1  -12   17   16 o  158.603   8.5779   68.587   7.2963   62.107   10.643   74.333   10.022  151.462   13.004  165.744   11.190 -14.28203 17.15580 
1 1 1  -12   17   17 f  568.588   7.8253  874.475   24.038  851.822   33.667  898.034   34.333  561.076   11.104  576.100   11.029 -15.02411 15.65052 
1 1 1  -12   17   18 o   61.305   22.382   8.2486   9.6468   8.2486   9.6468   0.0000   0.0000   61.305   22.382  ?   ?       ?      ? 
1 1 1  -12   17   19 o  279.977   6.5709  211.504   9.9283  223.219   14.492  201.143   13.629  287.263   9.3361  272.692   9.2491 14.57141 13.14189 
1 1 1  -12   17   20 o  145.400   9.9252   57.262   7.7953   57.727   11.197   56.824   10.859  145.969   14.195  144.832   13.876 1.136826 19.85042 
1 1 1  -12   17   21 o  782.058   14.060  1656.97   59.416   0.0000   0.0000  1656.97   59.416  ?   ?   782.058   14.060      ?      ? 
1 1 1  -12   17   22 o  299.306   6.7059  241.462   10.815  253.804   16.045  231.185   14.640  306.281   9.6944  292.332   9.2679 13.94879 13.41180 
1 1 1  -12   17   23 o  480.320   7.1800  623.812   18.625  597.020   25.916  652.432   26.785  469.659   10.212  490.980   10.096 -21.32190 14.36001 
1 1 1  -12   17   24 o  516.292   7.4156  721.480   20.686  705.593   29.039  737.847   29.474  510.519   10.526  522.064   10.448 -11.54584 14.83121 
1 1 1  -12   17   25 o  622.823   8.3369  1049.25   28.037  1012.64   38.747  1089.49   40.620  611.442   11.727  634.204   11.853 -22.76251 16.67374 
1 1 1  -12   17   27 o  220.199   7.1750  131.438   8.5152  129.729   12.456  132.938   11.667  218.833   10.534  221.565   9.7450 -2.732391 14.34994 
1 1 1  -12   17   28 o  312.518   8.9755  264.438   15.157   0.0000   0.0000  264.438   15.157  ?   ?   312.518   8.9755      ?      ? 
1 1 1  -12   17   29 f  530.873   7.5312  763.695   21.601  745.255   30.353  782.618   30.748  524.371   10.712  537.374   10.589 -13.00317 15.06232 
1 1 1  -12   17   30 o  118.024   17.282   40.930   10.293   33.041   17.488   45.113   12.732  107.469   29.306  128.579   18.325 -21.10973 34.56395 
1 1 1  -12   17   31 o  384.907   9.2881  403.735   19.227  389.414   28.313  415.991   26.192  378.432   13.845  391.382   12.385 -12.94989 18.57617 
1 1 1  -12   17   32 o   41.593   19.266  -8.5568   10.279  -8.5568   10.279   0.0000   0.0000   41.593   19.266  ?   ?       ?      ? 
1 1 1  -12   17   33 o   50.050   15.873  -5.5478   8.9287  -2.0856   11.723 -10.3311   13.779   51.288   22.391   48.812   22.503 2.475399 31.74542 
1 1 1  -12   17   34 o  179.158   11.331   87.424   10.849   70.878   14.841  106.419   15.901  160.875   17.072  197.440   14.904 -36.56566 22.66206 
1 1 1  -12   17   35 o  175.755   11.325   84.160   10.720   94.302   15.750   75.405   14.633  185.616   15.703  165.894   16.323 19.72177 22.64975 
1 1 1  -12   17   36 o  540.663   9.2601  809.836   25.901  755.631   42.577  841.679   32.633  525.205   15.002  556.120   10.859 -30.91553 18.52025 
1 1 1  -12   17   37 o  171.609   7.9731   80.973   7.3054   74.232   10.928   86.421   9.8230  164.963   12.259  178.254   10.198 -13.29111 15.94625 
1 1 1  -12   17   38 o  272.370   6.4248  201.673   9.3925  200.700   14.105  202.449   12.590  271.688   9.6074  273.051   8.5329 -1.363342 12.84962 
1 1 1  -12   17   39 o  166.580   7.9362   75.715   7.1210   75.874   10.501   75.580   9.6896  166.677   11.659  166.484   10.771 0.1928711 15.87244 
1 1 1  -12   17   40 o  229.747   6.6756  144.603   8.2384  131.940   11.944  156.094   11.378  219.975   10.048  239.520   8.7909 -19.54520 13.35111 
1 1 1  -12   17   41 o  259.351   6.2487  183.570   8.7184  177.692   12.828  188.615   11.885  255.378   9.2960  263.323   8.3527 -7.944534 12.49733 
1 1 1  -12   17   42 o  293.101   6.2130  234.247   9.7918  231.359   14.538  236.645   13.247  291.322   9.2351  294.881   8.3137 -3.558319 12.42597 
1 1 1  -12   17   43 f  348.623   6.2439  331.475   11.722  331.677   17.309  331.305   15.932  348.585   9.1890  348.661   8.4561 -0.7614136E-01 12.48776 
1 1 1  -12   17   44 o  213.339   6.7169  124.108   7.7041  128.054   11.563  120.959   10.331  216.270   9.8944  210.409   9.0866 5.860443 13.43372 
1 1 1  -12   17   45 o  219.523   6.5802  132.514   7.7566  124.288   11.400  139.605   10.584  212.965   9.9064  226.081   8.6638 -13.11560 13.16045 
1 1 1  -12   17   46 o  217.213   6.6470  128.787   7.7608  134.218   11.682  124.496   10.383  221.171   9.7748  213.255   9.0103 7.915482 13.29408 
1 1 1  -12   17   47 o  211.529   6.9017  124.270   7.8000  111.337   11.518  135.227   10.601  200.928   10.608  222.131   8.8317 -21.20265 13.80332 
1 1 1  -12   17   48 o  210.801   6.7958  122.897   7.6758  116.354   11.437  128.260   10.354  205.387   10.305  216.216   8.8621 -10.82916 13.59159 
1 1 1  -12   17   49 o  148.130   8.7285   61.582   6.8911   59.246   10.530   63.331   9.1137  145.223   13.418  151.038   11.167 -5.813934 17.45691 
1 1 1  -12   17   50 o   89.013   13.590   23.633   6.3304   28.069   9.5283   20.128   8.4700   96.682   18.916   81.343   19.519 15.33853 27.18069 
1 1 1  -12   17   51 o  181.347   9.4705   90.710   9.0078   84.128   11.283  102.275   14.958  173.257   12.052  189.438   14.612 -16.18051 18.94094 
1 1 1  -12   17   52 o   50.638   14.968  -1.4491   6.5422   12.703   12.394  -6.9157   7.7028   66.898   25.193   34.379   16.170 32.51852 29.93613 
1 1 1  -12   17   53 o   55.861   15.705   7.1773   6.9309   3.5856   12.436   8.7956   8.3476   55.021   23.534   56.701   20.802 -1.680050 31.40947 
1 1 1  -12   17   54 o  115.813   11.779   41.077   6.8518   31.895   10.406   48.107   9.1042  101.516   19.680  130.110   12.949 -28.59438 23.55767 
1 1 1  -12   17   55 o   52.500   15.015   5.8703   6.5236   5.7279   10.249   5.9673   8.4582   53.619   22.034   51.381   20.403 2.238068 30.02996 
1 1 1  -12   17   56 o   70.535   15.751   16.316   6.6339   17.457   10.406   15.534   8.6101   72.082   23.376   68.989   21.118 3.092743 31.50237 
1 1 1  -12   17   57 o   82.552   14.370   23.686   6.9335   12.945   10.732   31.380   9.0837   63.312   23.522  101.792   16.514 -38.48011 28.74009 
1 1 1  -12   17   58 o  167.932   9.2449   84.597   7.9168   55.980   11.441  110.884   10.966  137.460   15.403  198.405   10.228 -60.94545 18.48990 
1 1 1  -12   17   59 o  170.306   12.003   91.665   10.585   84.887   17.040   95.923   13.506  161.375   19.541  179.236   13.945 -17.86110 24.00669 
1 1 1  -12   17   60 o   73.113   18.616   19.854   9.3495   32.500   15.415   12.495   11.759   86.188   28.476   60.038   23.988 26.15012 37.23292 
1 1 1  -12   17   61 o   47.732   14.442   4.2994   6.8633  -0.8010   10.254   8.4387   9.2376   42.966   19.662   52.498   21.160 -9.532085 28.88468 
1 1 1  -12   18    2 o  789.353   10.020  1686.99   42.730  1664.27   59.711  1710.84   61.172  783.916   14.096  794.790   14.243 -10.87427 20.03937 
1 1 1  -12   18    4 o  600.441   8.0737  972.394   26.142  927.375   35.601  1025.07   38.511  585.422   11.254  615.459   11.580 -30.03711 16.14749 
1 1 1  -12   18    5 o  898.490   15.844  2187.75   76.925   0.0000   0.0000  2187.75   76.925  ?   ?   898.490   15.844      ?      ? 
1 1 1  -12   18    6 o  787.025   10.008  1676.16   42.540  1634.25   59.006  1721.53   61.387  776.801   14.057  797.249   14.249 -20.44800 20.01612 
1 1 1  -12   18    8 o  909.529   11.304  2241.66   55.552  2217.20   77.888  2267.00   79.254  904.488   15.936  914.570   16.037 -10.08276 22.60831 
1 1 1  -12   18    9 o  441.419   6.8381  527.269   16.303  518.321   23.302  535.849   22.817  437.740   9.8510  445.099   9.4866 -7.359100 13.67620 
1 1 1  -12   18   11 f  764.962   9.8097  1584.11   40.541  1559.66   56.637  1609.80   58.056  758.918   13.811  771.005   13.935 -12.08667 19.61937 
1 1 1  -12   18   12 o  617.244   8.3102  1029.64   27.694  997.614   38.206  1065.09   40.200  607.156   11.645  627.333   11.859 -20.17749 16.62047 
1 1 1  -12   18   13 o  476.514   7.1141  614.223   18.312  615.541   26.255  612.974   25.553  477.004   10.186  476.023   9.9340 0.9808960 14.22817 
1 1 1  -12   18   14 o  193.183   7.8539  101.186   8.1811   97.127   11.808  104.933   11.346  189.438   11.535  196.928   10.662 -7.489914 15.70774 
1 1 1  -12   18   15 o  158.858   9.1648   68.351   7.7933   56.467   10.785   81.337   11.274  144.380   13.824  173.337   12.037 -28.95630 18.32962 
1 1 1  -12   18   16 o  436.138   6.9411  514.651   16.356  505.269   23.125  524.043   23.138  432.155   9.9028  440.120   9.7288 -7.965729 13.88220 
1 1 1  -12   18   17 o  161.937   9.6616   71.571   8.3666   59.994   11.871   82.997   11.794  148.792   14.764  175.082   12.466 -26.28946 19.32323 
1 1 1  -12   18   19 o  325.789   6.6996  287.161   11.792  286.847   16.852  287.463   16.505  325.610   9.5776  325.969   9.3704 -0.3591309 13.39910 
1 1 1  -12   18   20 o  844.059   10.660  1931.45   48.607  1897.08   67.777  1967.84   69.746  836.348   14.997  851.771   15.153 -15.42218 21.31985 
1 1 1  -12   18   21 o  105.181   13.545   30.717   7.4915   26.020   10.508   35.572   10.684   95.929   20.865  114.434   17.278 -18.50484 27.08969 
1 1 1  -12   18   22 o  224.591   7.5046  136.722   9.0965  131.842   13.031  141.361   12.705  220.663   10.928  228.518   10.288 -7.854370 15.00919 
1 1 1  -12   18   23 o  100.504   14.060   28.435   7.3645   30.015   10.516   26.915   10.317  103.354   19.546   97.655   20.216 5.699310 28.12013 
1 1 1  -12   18   24 o  354.121   6.6554  339.019   12.695  345.108   18.784  333.899   17.225  357.020   9.7367  351.222   9.0759 5.797821 13.31072 
1 1 1  -12   18   25 o  379.747   6.7297  390.828   13.798  379.418   19.719  401.773   19.314  374.291   9.7498  385.203   9.2789 -10.91223 13.45942 
1 1 1  -12   18   26 o  501.007   7.3516  679.616   19.895  656.491   27.719  704.185   28.572  492.220   10.422  509.793   10.372 -17.57364 14.70318 
1 1 1  -12   18   27 o  372.286   6.6382  375.382   13.347  358.775   18.767  392.376   18.985  363.940   9.5428  380.632   9.2303 -16.69223 13.27642 
1 1 1  -12   18   28 o  253.487   10.208  176.702   13.613  165.338   21.504  184.302   17.585  246.408   16.150  260.565   12.489 -14.15695 20.41599 
1 1 1  -12   18   29 o   90.495   19.747   22.786   10.506   21.385   16.757   23.694   13.485   89.568   29.693   91.421   26.040 -1.853111 39.49393 
1 1 1  -12   18   30 o  245.532   16.910  164.685   22.436  164.685   22.436   0.0000   0.0000  245.532   16.910  ?   ?       ?      ? 
1 1 1  -12   18   31 o  287.456   9.5636  224.685   14.759  261.036   21.381  191.599   20.398  309.755   12.774  265.157   14.236 44.59836 19.12711 
1 1 1  -12   18   32 o   74.130   18.862   13.216   9.6594   15.759   12.436   9.3491   15.337   76.962   25.583   71.297   27.724 5.665581 37.72443 
1 1 1  -12   18   33 o  374.100   9.3141  381.411   18.815  378.603   26.076  384.459   27.175  372.721   12.947  375.479   13.394 -2.757813 18.62819 
1 1 1  -12   18   34 o  326.578   7.8471  280.039   12.869  318.018   23.565  263.900   15.361  341.406   12.773  311.749   9.1187 29.65717 15.69418 
1 1 1  -12   18   35 o   96.994   13.221   25.893   6.7528   32.183   10.346   21.224   8.9132  108.057   17.719   85.930   19.626 22.12691 26.44123 
1 1 1  -12   18   36 o  265.203   6.6778  191.886   9.5272  181.193   13.895  201.373   13.088  258.115   9.9624  272.290   8.8952 -14.17545 13.35564 
1 1 1  -12   18   37 o  283.692   6.4365  218.764   9.8302  219.342   14.551  218.279   13.333  283.961   9.4832  283.423   8.7055 0.5380249 12.87307 
1 1 1  -12   18   38 o  153.826   8.4994   64.769   7.0057   64.486   10.600   64.989   9.3349  153.401   12.788  154.252   11.199 -0.8509827 16.99884 
1 1 1  -12   18   39 o  132.800   9.3835   48.134   6.6146   50.090   10.464   46.832   8.5366  134.846   14.360  130.754   12.082 4.092361 18.76696 
1 1 1  -12   18   40 o  169.386   7.8648   78.514   7.1141   78.325   10.918   78.654   9.3785  169.046   11.952  169.725   10.226 -0.6791992 15.72964 
1 1 1  -12   18   41 o   47.727   13.910  -1.3288   6.1915   8.4314   9.6928  -8.0563   8.0472   60.224   22.358   35.230   16.557 24.99391 27.82079 
1 1 1  -12   18   42 o  166.781   7.8572   76.960   6.9865   72.156   10.587   80.666   9.2987  161.889   12.102  171.673   10.024 -9.783966 15.71436 
1 1 1  -12   18   43 o   59.720   14.857   9.1201   6.1852   4.3582   9.4397   12.703   8.1877   52.999   21.380   66.441   20.636 -13.44224 29.71468 
1 1 1  -12   18   44 o   96.392   12.551   25.753   6.2968   36.004   9.8692   18.716   8.1775  113.241   16.128   79.543   19.236 33.69711 25.10276 
1 1 1  -12   18   45 o  317.734   6.3656  276.985   10.911  261.890   15.551  291.622   15.313  309.041   9.3123  326.426   8.6814 -17.38486 12.73126 
1 1 1  -12   18   46 o   72.164   14.476   14.134   6.0861   23.549   9.7450   8.1127   7.7927   88.282   20.774   56.046   20.167 32.23612 28.95267 
1 1 1  -12   18   47 o  136.494   9.1332   51.772   6.6562   53.924   10.316   50.237   8.7126  138.600   13.774  134.387   11.998 4.212845 18.26633 
1 1 1  -12   18   48 o   51.480   14.469   4.8935   5.9668   6.8481   9.2047   3.4769   7.8362   55.389   21.495   47.570   19.375 7.819069 28.93791 
1 1 1  -12   18   49 o   34.567   11.639  -9.5955   5.9917 -12.1325   8.9741  -7.5550   8.0484   34.112   16.429   35.023   16.490 -0.9110146 23.27774 
1 1 1  -12   18   50 o  219.693   8.9698  136.232   9.9652  136.913   12.164  134.842   17.378  222.139   10.133  217.247   14.803 4.891968 17.93951 
1 1 1  -12   18   51 o  171.024   8.2141   81.487   7.4436   85.064   11.838   79.147   9.5732  173.531   12.624  168.516   10.513 5.015472 16.42825 
1 1 1  -12   18   52 o  144.083   10.729   60.404   7.5546   58.649   13.853   61.148   9.0128  140.514   18.245  147.652   11.296 -7.137802 21.45868 
1 1 1  -12   18   53 o   66.271   15.719   13.594   6.5746   14.072   10.202   13.254   8.5981   67.232   23.166   65.311   21.252 1.921860 31.43731 
1 1 1  -12   18   54 o  126.186   10.402   46.056   7.0173   47.951   10.811   44.676   9.2247  127.829   15.651  124.543   13.707 3.286087 20.80491 
1 1 1  -12   18   55 o  231.445   7.0136  151.435   8.6823  142.284   12.982  158.841   11.678  224.345   10.709  238.544   9.0599 -14.19980 14.02718 
1 1 1  -12   18   56 o  106.525   12.001   34.197   6.8619   37.438   10.461   31.749   9.0911  110.524   17.516  102.526   16.409 7.998116 24.00138 
1 1 1  -12   18   57 o   98.417   21.563   31.877   11.151   31.877   11.151   0.0000   0.0000   98.417   21.563  ?   ?       ?      ? 
1 1 1  -12   18   58 o   68.565   17.173   8.4972   9.0910   38.243   15.779  -6.2838   11.123   96.171   28.400   40.959   19.316 55.21201 34.34654 
1 1 1  -12   18   59 f   56.823   17.426   8.3710   9.5199   10.957   16.156   6.9955   11.783   60.205   26.285   53.442   22.884 6.762573 34.85113 
1 1 1  -12   18   60 o   38.675   12.839  -4.8677   6.8923  -9.1372   10.445  -1.5752   9.1727   36.975   17.787   40.375   18.520 -3.400448 25.67834 
1 1 1  -12   19    2 o  444.994   7.0451  535.691   16.938  523.915   23.916  547.542   23.992  440.082   10.057  449.906   9.8686 -9.824341 14.09024 
1 1 1  -12   19    4 o  106.855   12.366   30.964   7.1401   31.318   10.145   30.616   10.051  107.461   17.470  106.250   17.507 1.211342 24.73245 
1 1 1  -12   19    7 f  743.628   9.6010  1497.66   38.579  1493.93   54.673  1501.35   54.446  742.701   13.623  744.555   13.533 -1.854614 19.20196 
1 1 1  -12   19   10 o  771.761   9.8919  1613.59   41.252  1603.02   58.354  1624.16   58.324  769.226   14.039  774.296   13.940 -5.069580 19.78384 
1 1 1  -12   19   11 o  651.156   12.236  1147.95   43.053   0.0000   0.0000  1147.95   43.053  ?   ?   651.156   12.236      ?      ? 
1 1 1  -12   19   12 o  192.124   12.116   99.929   12.579   0.0000   0.0000   99.929   12.579  ?   ?   192.124   12.116      ?      ? 
1 1 1  -12   19   13 o  506.270   10.447  693.545   28.581   0.0000   0.0000  693.545   28.581  ?   ?   506.270   10.447      ?      ? 
1 1 1  -12   19   14 o  602.695   8.2677  983.248   26.922  987.254   38.439  979.390   37.718  603.891   11.779  601.498   11.605 2.392334 16.53543 
1 1 1  -12   19   16 o  484.110   7.3182  633.067   19.125  602.941   26.362  666.537   27.787  471.977   10.337  496.242   10.362 -24.26520 14.63647 
1 1 1  -12   19   17 o  248.231   7.1793  166.817   9.6190  156.577   13.517  177.324   13.691  240.500   10.401  255.962   9.8989 -15.46152 14.35851 
1 1 1  -12   19   18 o  584.408   8.0917  924.492   25.546  903.679   35.639  946.489   36.638  577.649   11.418  591.167   11.469 -13.51770 16.18345 
1 1 1  -12   19   19 o  359.500   9.4332  349.751   18.325   0.0000   0.0000  349.751   18.325  ?   ?   359.500   9.4332      ?      ? 
1 1 1  -12   19   20 o  344.604   6.8529  321.073   12.723  288.193   17.668  356.488   18.337  326.278   10.021  362.930   9.3499 -36.65228 13.70570 
1 1 1  -12   19   21 f  191.304   11.136   99.153   11.512   0.0000   0.0000   99.153   11.512  ?   ?   191.304   11.136      ?      ? 
1 1 1  -12   19   22 o  365.647   6.6957  362.156   13.224  357.230   18.898  366.881   18.511  363.196   9.6293  368.098   9.3061 -4.901703 13.39134 
1 1 1  -12   19   23 o  562.340   11.026  857.129   33.503   0.0000   0.0000  857.129   33.503  ?   ?   562.340   11.026      ?      ? 
1 1 1  -12   19   24 o  233.260   7.3795  147.421   9.2793  147.811   13.610  147.082   12.685  233.524   10.785  232.995   10.075 0.5297546 14.75903 
1 1 1  -12   19   25 o  231.617   7.3325  144.261   9.1296  156.380   13.794  134.815   12.179  240.187   10.628  223.047   10.104 17.14006 14.66492 
1 1 1  -12   19   26 o  114.220   18.738   36.513   11.565   52.365   17.329   23.784   15.528  135.961   24.487   92.479   28.369 43.48234 37.47581 
1 1 1  -12   19   27 o  209.530   19.673  120.270   22.274  120.270   22.274   0.0000   0.0000  209.530   19.673  ?   ?       ?      ? 
1 1 1  -12   19   29 o  160.910   12.328   71.245   10.647   80.045   14.976   62.252   15.139  171.153   16.192  150.667   18.595 20.48586 24.65682 
1 1 1  -12   19   30 o  227.098   9.8660  140.958   12.062  145.248   16.519  136.059   17.654  230.911   13.239  223.285   14.632 7.625717 19.73199 
1 1 1  -12   19   31 o  286.848   7.8026  229.746   11.628  199.009   18.493  249.845   14.954  270.264   12.663  303.431   9.1203 -33.16748 15.60525 
1 1 1  -12   19   32 o  186.658   8.2521   95.693   8.2499   83.330   11.875  107.227   11.470  174.786   12.573  198.530   10.692 -23.74425 16.50416 
1 1 1  -12   19   33 o  115.467   11.208   36.612   6.9856   36.414   10.100   36.792   9.6724  115.124   16.235  115.810   15.456 -0.6862564 22.41575 
1 1 1  -12   19   34 o  126.466   10.412   43.879   7.1036   42.802   10.265   44.869   9.8403  124.915   15.208  128.017   14.225 -3.101158 20.82367 
1 1 1  -12   19   35 o  297.202   6.5390  240.955   10.465  221.990   14.979  259.039   14.627  285.645   9.7044  308.759   8.7669 -23.11417 13.07801 
1 1 1  -12   19   36 o  237.016   9.3519  152.909   11.978   0.0000   0.0000  152.909   11.978  ?   ?   237.016   9.3519      ?      ? 
1 1 1  -12   19   37 o   54.886   15.198   5.4718   6.5320   4.2229   10.022   6.3942   8.6126   54.537   22.019   55.234   20.954 -0.6976776 30.39611 
1 1 1  -12   19   38 o  368.976   6.5614  370.547   13.032  375.767   19.353  366.216   17.628  371.225   9.6475  366.728   8.8957 4.496979 13.12280 
1 1 1  -12   19   39 o  441.983   9.4334  532.841   22.530   0.0000   0.0000  532.841   22.530  ?   ?   441.983   9.4334      ?      ? 
1 1 1  -12   19   40 o  284.052   6.3699  220.504   9.7491  215.533   14.245  224.884   13.371  280.916   9.3841  287.188   8.6163 -6.271881 12.73979 
1 1 1  -12   19   41 o  236.959   9.0059  153.383   11.532   0.0000   0.0000  153.383   11.532  ?   ?   236.959   9.0059      ?      ? 
1 1 1  -12   19   42 o  188.768   7.4403   96.073   7.5067  109.883   11.721   86.470   9.7740  199.969   10.847  177.567   10.186 22.40175 14.88056 
1 1 1  -12   19   43 o  214.122   7.0415  126.373   8.1077  118.568   11.819  133.310   11.142  207.652   10.534  220.592   9.3476 -12.93962 14.08308 
1 1 1  -12   19   44 o   87.080   13.601   23.452   6.4180   14.475   9.6819   30.488   8.5720   70.106   22.528  104.054   15.245 -33.94843 27.20139 
1 1 1  -12   19   45 o  193.769   7.3084  103.734   7.6060  101.460   11.323  105.603   10.267  191.597   10.937  195.941   9.6970 -4.343872 14.61672 
1 1 1  -12   19   46 o   73.833   15.092   16.887   6.4419   13.439   9.9027   19.415   8.4819   67.674   22.832   79.993   19.743 -12.31876 30.18423 
1 1 1  -12   19   47 o   53.612   14.842   5.4624   6.1463   9.3021   9.9347   3.0815   7.8232   60.317   22.587   46.908   19.260 13.40922 29.68394 
1 1 1  -12   19   48 o  137.501   9.3294   52.028   6.8205   60.326   10.896   46.683   8.7457  146.034   13.808  128.969   12.549 17.06540 18.65871 
1 1 1  -12   19   49 o   77.004   16.766   19.764   8.0902   24.577   9.9431   10.336   13.916   88.700   21.059   65.308   26.095 23.39182 33.53278 
1 1 1  -12   19   50 o   91.923   13.301   28.190   6.5797   12.558   9.9415   40.374   8.7770   64.814   22.836  119.033   13.646 -54.21938 26.60200 
1 1 1  -12   19   51 o   57.201   14.897  -1.9182   6.8616   22.838   12.588 -12.3837   8.1845   82.878   25.562   31.524   15.304 51.35420 29.79329 
1 1 1  -12   19   52 o  128.645   10.481   48.315   7.1551   45.755   11.004   50.191   9.4180  124.740   16.324  132.551   13.149 -7.810570 20.96146 
1 1 1  -12   19   53 o  290.788   6.6456  234.643   10.346  242.381   15.837  228.882   13.666  294.418   9.9544  287.157   8.8070 7.261322 13.29110 
1 1 1  -12   19   54 o   36.626   12.346  -9.1107   6.6198  -6.7348   10.259 -10.8055   8.6650   39.970   18.756   33.283   16.059 6.687656 24.69129 
1 1 1  -12   19   55 f   48.239   14.655   2.8143   6.7973   3.8794   10.476   2.0398   8.9328   50.636   21.628   45.842   19.781 4.793808 29.30968 
1 1 1  -12   19   56 o  161.351   12.919   82.708   10.563   68.086   17.032   91.847   13.465  145.360   21.684  177.343   14.051 -31.98299 25.83811 
1 1 1  -12   19   57 o   95.495   18.400   35.010   9.5926   43.018   15.379   29.910   12.273  103.053   27.214   87.938   24.770 15.11549 36.79905 
1 1 1  -12   19   58 o  127.967   13.336   54.682   8.6418   62.905   11.614   44.482   12.935  143.426   14.985  112.508   22.065 30.91837 26.67247 
1 1 1  -12   19   59 o   59.564   15.619   13.014   6.8390   9.6945   10.160   15.765   9.2481   54.507   22.113   64.620   22.063 -10.11359 31.23756 
1 1 1  -12   20    1 o  209.573   11.516  118.883   13.041   0.0000   0.0000  118.883   13.041  ?   ?   209.573   11.516      ?      ? 
1 1 1  -12   20    2 o  163.308   9.9998   72.655   8.6424   92.226   12.496   54.708   11.966  184.556   12.530  142.060   15.588 42.49622 19.99952 
1 1 1  -12   20    6 o  536.791   11.089  779.871   32.165   0.0000   0.0000  779.871   32.165  ?   ?   536.791   11.089      ?      ? 
1 1 1  -12   20    8 f  1113.46   19.292  3368.27  116.073   0.0000   0.0000  3368.27  116.073  ?   ?   1113.46   19.292      ?      ? 
1 1 1  -12   20   10 o  836.314   14.961  1896.71   67.609   0.0000   0.0000  1896.71   67.609  ?   ?   836.314   14.961      ?      ? 
1 1 1  -12   20   13 f  223.938   7.9274  135.203   9.5547  119.247   13.085  153.430   13.985  209.831   11.540  238.045   10.872 -28.21428 15.85479 
1 1 1  -12   20   14 o  460.086   10.078  572.972   25.056   0.0000   0.0000  572.972   25.056  ?   ?   460.086   10.078      ?      ? 
1 1 1  -12   20   15 o  218.642   7.9301  129.532   9.3636  125.145   13.298  133.846   13.187  214.958   11.448  222.326   10.977 -7.368042 15.86030 
1 1 1  -12   20   16 o  329.979   6.8858  294.257   12.267  282.804   16.929  306.922   17.802  323.231   9.6923  336.727   9.7836 -13.49548 13.77168 
1 1 1  -12   20   17 o  317.439   9.5016  272.792   16.298   0.0000   0.0000  272.792   16.298  ?   ?   317.439   9.5016      ?      ? 
1 1 1  -12   20   18 o  446.549   10.094  540.093   24.358  540.093   24.358   0.0000   0.0000  446.549   10.094  ?   ?       ?      ? 
1 1 1  -12   20   19 o   72.794   16.326   13.560   7.5778   6.8577   10.647   20.442   10.788   60.602   23.223   84.986   22.952 -24.38479 32.65158 
1 1 1  -12   20   20 o  170.041   12.866   78.465   11.822   0.0000   0.0000   78.465   11.822  ?   ?   170.041   12.866      ?      ? 
1 1 1  -12   20   21 o  785.219   14.168  1675.13   60.114   0.0000   0.0000  1675.13   60.114  ?   ?   785.219   14.168      ?      ? 
1 1 1  -12   20   22 o  131.239   11.144   47.372   7.7950   43.225   11.719   50.663   10.439  125.941   17.220  136.538   14.149 -10.59688 22.28749 
1 1 1  -12   20   23 o  383.268   10.128  396.861   20.785  418.018   31.932  381.306   27.380  391.941   15.077  374.594   13.526 17.34656 20.25538 
1 1 1  -12   20   26 o  154.848   16.911   65.563   14.151   65.563   14.151   0.0000   0.0000  154.848   16.911  ?   ?       ?      ? 
1 1 1  -12   20   27 o  234.945   9.5484  149.274   12.062  140.045   16.106  161.059   18.200  226.787   13.143  243.103   13.855 -16.31555 19.09676 
1 1 1  -12   20   28 o  239.433   8.3461  154.306   10.458  162.455   17.266  149.585   13.142  244.187   13.085  234.679   10.363 9.507980 16.69223 
1 1 1  -12   20   29 o  296.384   6.7393  238.531   10.753  238.419   15.909  238.626   14.589  296.255   9.9380  296.512   9.1054 -0.2570496 13.47857 
1 1 1  -12   20   30 o  209.177   7.7281  119.211   8.7239  116.380   12.570  121.843   12.117  206.732   11.252  211.623   10.596 -4.890472 15.45625 
1 1 1  -12   20   31 o  150.168   9.6693   61.727   7.7906   52.569   10.855   71.453   11.187  138.558   14.499  161.777   12.797 -23.21893 19.33862 
1 1 1  -12   20   32 f   44.961   14.150  -3.5867   6.9313  -1.5577   10.144  -5.3636   9.4931   47.799   20.850   42.122   19.137 5.677395 28.30070 
1 1 1  -12   20   33 o  286.889   6.7546  223.780   10.441  201.422   14.547  247.538   14.995  272.045   9.8954  301.733   9.1968 -29.68808 13.50923 
1 1 1  -12   20   34 o  190.548   7.8791   99.212   8.1008   97.569   11.722  100.715   11.208  188.975   11.479  192.121   10.796 -3.146164 15.75815 
1 1 1  -12   20   35 o  105.737   12.857   31.901   7.0994   28.887   10.498   34.440   9.6374   99.893   20.143  111.581   15.984 -11.68848 25.71443 
1 1 1  -12   20   36 o  156.830   8.8534   67.598   7.4423   66.491   11.207   68.471   9.9542  155.520   13.336  158.140   11.649 -2.620529 17.70672 
1 1 1  -12   20   37 o  150.760   8.9623   62.409   7.2281   62.742   11.037   62.158   9.5644  150.936   13.533  150.583   11.754 0.3533020 17.92463 
1 1 1  -12   20   38 o  301.660   6.5176  248.259   10.591  249.698   15.625  247.036   14.405  302.352   9.5634  300.968   8.8576 1.384094 13.03515 
1 1 1  -12   20   39 o  300.179   6.5922  247.036   10.658  228.512   15.253  264.712   14.900  288.979   9.7680  311.378   8.8553 -22.39862 13.18449 
1 1 1  -12   20   40 o  145.462   9.3644   59.804   7.1791   51.494   10.935   66.100   9.5176  135.928   14.887  154.995   11.364 -19.06729 18.72881 
1 1 1  -12   20   41 o  263.951   6.6072  191.714   9.3425  182.546   13.964  199.143   12.570  257.948   10.018  269.953   8.6171 -12.00552 13.21445 
1 1 1  -12   20   42 o   57.882   14.477   7.7354   6.2934  -0.5960   9.4533   14.367   8.4341   46.147   20.128   69.618   20.813 -23.47026 28.95359 
1 1 1  -12   20   43 o  104.974   11.740   30.794   6.4177   39.260   10.011   24.887   8.3617  117.853   15.720   92.095   17.441 25.75806 23.48007 
1 1 1  -12   20   44 o  115.731   11.002   38.702   6.6852   34.143   10.360   41.956   8.7511  109.019   17.586  122.443   13.226 -13.42426 22.00435 
1 1 1  -12   20   45 f  129.824   9.9329   47.596   6.8837   47.103   10.541   47.963   9.0898  128.792   15.146  130.855   12.855 -2.062088 19.86571 
1 1 1  -12   20   46 o  225.742   6.9969  140.499   8.4984  144.209   12.685  137.479   11.447  228.237   10.285  223.248   9.4891 4.989685 13.99387 
1 1 1  -12   20   47 o   69.732   14.933   15.127   6.4276   9.0480   9.7112   19.866   8.5746   59.164   22.297   80.301   19.869 -21.13666 29.86534 
1 1 1  -12   20   48 o  271.419   8.5531  204.848   11.823  200.292   14.426  214.167   20.631  268.600   9.9393  274.237   13.922 -5.636444 17.10617 
1 1 1  -12   20   49 o   64.145   17.339   11.001   8.0293   9.9227   9.8557   13.128   13.846   60.156   22.503   68.133   26.384 -7.977398 34.67730 
1 1 1  -12   20   50 o   60.236   16.308   9.5392   7.1812   9.5203   12.277   9.5490   8.8538   61.936   24.586   58.536   21.431 3.400837 32.61525 
1 1 1  -12   20   51 o  114.376   12.480   40.918   7.1586   31.516   10.892   48.067   9.4979   99.430   20.935  129.322   13.591 -29.89189 24.96006 
1 1 1  -12   20   52 o  142.790   9.8434   60.587   7.3382   47.076   10.884   71.849   9.9362  126.309   15.946  159.272   11.545 -32.96375 19.68687 
1 1 1  -12   20   53 o  123.413   11.560   46.064   7.6260   45.885   11.602   46.201   10.119  122.180   17.573  124.646   15.023 -2.465752 23.11965 
1 1 1  -12   20   54 o  239.007   7.3709  161.263   9.4860  162.481   14.029  160.238   12.876  239.411   10.844  238.604   9.9865 0.8073273 14.74171 
1 1 1  -12   20   55 o  105.807   16.666   32.672   10.089   69.505   17.335   13.804   12.407  146.099   21.958   65.515   25.079 80.58353 33.33287 
1 1 1  -12   20   56 o  100.544   18.702   41.081   10.107   42.860   16.662   40.045   12.713   97.486   29.278  103.601   23.276 -6.114357 37.40313 
1 1 1  -12   20   57 o   74.776   16.302   20.619   7.2062   20.646   11.091   20.599   9.4801   73.804   24.142   75.747   21.913 -1.942558 32.60414 
1 1 1  -12   20   58 o   70.236   16.426   19.637   7.2516   19.246   10.842   19.953   9.7549   68.855   23.872   71.617   22.570 -2.761726 32.85273 
1 1 1  -12   21    1 o  172.510   8.9687   80.648   8.3596   81.372   11.773   79.913   11.872  173.295   12.573  171.725   12.794 1.569565 17.93742 
1 1 1  -12   21    2 o  385.975   7.0157  403.188   14.632  399.058   20.562  407.424   20.826  383.974   9.9099  387.977   9.9335 -4.002563 14.03137 
1 1 1  -12   21    3 o  145.020   10.149   57.218   7.9270   60.531   11.001   53.639   11.433  149.427   13.624  140.612   15.047 8.814697 20.29818 
1 1 1  -12   21    4 o  471.875   7.2927  602.729   18.594  593.342   26.197  612.258   26.396  468.169   10.355  475.581   10.271 -7.411713 14.58534 
1 1 1  -12   21    5 o  392.595   6.9417  417.023   14.722  422.326   21.136  412.025   20.517  395.013   9.9021  390.177   9.7312 4.835327 13.88334 
1 1 1  -12   21    6 o  374.429   9.7967  379.446   19.822   0.0000   0.0000  379.446   19.822  ?   ?   374.429   9.7967      ?      ? 
1 1 1  -12   21    7 o  143.376   10.458   55.825   8.0842   54.734   11.770   56.798   11.123  142.028   15.337  144.724   14.222 -2.695877 20.91632 
1 1 1  -12   21    8 o  576.595   8.1422  900.323   25.356  904.482   36.486  896.437   35.263  577.862   11.684  575.328   11.343 2.533997 16.28440 
1 1 1  -12   21   12 f  617.982   8.4820  1033.82   28.303  999.976   39.112  1071.03   41.010  607.391   11.916  628.572   12.074 -21.18115 16.96408 
1 1 1  -12   21   14 o  488.180   7.4147  645.659   19.552  647.290   28.068  644.122   27.251  488.760   10.627  487.599   10.343 1.160278 14.82941 
1 1 1  -12   21   15 o  236.508   7.5591  151.204   9.6484  160.938   14.046  142.509   13.276  243.698   10.667  229.318   10.714 14.38029 15.11819 
1 1 1  -12   21   16 o  502.584   10.504  684.481   28.526   0.0000   0.0000  684.481   28.526  ?   ?   502.584   10.504      ?      ? 
1 1 1  -12   21   17 o  543.204   7.7876  798.593   22.839  766.484   31.527  834.056   33.132  531.739   10.972  554.669   11.054 -22.92999 15.57514 
1 1 1  -12   21   18 o  450.094   8.6241  547.889   20.047  543.586   24.877  555.856   33.853  447.862   10.279  452.327   13.850 -4.465698 17.24812 
1 1 1  -12   21   19 o  401.573   13.328  438.063   28.921   0.0000   0.0000  438.063   28.921  ?   ?   401.573   13.328      ?      ? 
1 1 1  -12   21   20 o  184.326   11.332   91.719   11.189   76.194   15.114  110.540   16.642  167.159   16.733  201.493   15.285 -34.33455 22.66306 
1 1 1  -12   21   24 o  553.783   15.573  837.612   46.600  837.612   46.600   0.0000   0.0000  553.783   15.573  ?   ?       ?      ? 
1 1 1  -12   21   25 o  486.383   14.328  645.495   37.657  645.495   37.657   0.0000   0.0000  486.383   14.328  ?   ?       ?      ? 
1 1 1  -12   21   26 o  302.482   9.3094  248.342   15.216   0.0000   0.0000  248.342   15.216  ?   ?   302.482   9.3094      ?      ? 
1 1 1  -12   21   27 o  128.338   11.956   47.169   7.7474   33.224   11.118   60.330   10.801  108.049   19.772  148.627   13.449 -40.57770 23.91227 
1 1 1  -12   21   28 o   80.622   15.887   18.455   7.4078   24.759   10.538   12.298   10.415   92.595   21.478   68.649   23.414 23.94647 31.77341 
1 1 1  -12   21   29 o  244.219   7.0881  162.016   9.3394  165.139   13.646  159.265   12.809  246.394   10.249  242.043   9.7936 4.351105 14.17618 
1 1 1  -12   21   30 o  154.018   9.1713   64.955   7.6186   61.571   10.900   68.186   10.653  150.023   13.446  158.013   12.476 -7.989670 18.34252 
1 1 1  -12   21   31 o  240.043   7.1329  156.956   9.2433  155.888   13.342  157.941   12.818  239.214   10.321  240.872   9.8478 -1.658737 14.26576 
1 1 1  -12   21   32 o  283.947   6.7590  219.501   10.351  220.783   15.128  218.372   14.195  284.661   9.8346  283.234   9.2747 1.426941 13.51810 
1 1 1  -12   21   33 o   85.230   15.213   21.348   7.1034   16.523   10.145   25.987   9.9490   75.821   22.863   94.640   20.076 -18.81911 30.42621 
1 1 1  -12   21   34 o  159.284   8.9480   68.885   7.6525   76.391   11.656   63.198   10.145  166.773   12.934  151.795   12.368 14.97774 17.89607 
1 1 1  -12   21   35 o  222.954   7.2805  136.062   8.7504  131.364   12.682  140.331   12.089  219.172   10.708  226.735   9.8672 -7.562820 14.56100 
1 1 1  -12   21   36 o  100.556   13.184   28.391   6.9754   33.679   10.677   24.454   9.2132  109.538   18.039   91.573   19.231 17.96481 26.36736 
1 1 1  -12   21   37 o  134.912   9.7956   50.116   7.1061   53.576   10.708   47.394   9.4994  138.945   14.262  130.878   13.432 8.067078 19.59122 
1 1 1  -12   21   38 o   59.206   15.398   8.2247   6.4559   10.803   9.8168   6.2597   8.5697   64.043   22.678   54.369   20.835 9.674450 30.79621 
1 1 1  -12   21   39 o  280.797   6.6347  216.492   10.035  204.836   14.514  227.170   13.891  273.356   9.8256  288.238   8.9183 -14.88239 13.26939 
1 1 1  -12   21   40 o   87.731   14.909   23.226   6.9325   22.530   10.624   23.742   9.1489   86.089   22.563   89.372   19.493 -3.282227 29.81753 
1 1 1  -12   21   41 f   90.845   14.457   24.529   6.8909   27.878   10.457   21.959   9.1612   96.256   20.718   85.434   20.168 10.82192 28.91346 
1 1 1  -12   21   42 o  201.316   7.4267  110.712   8.0036  120.234   12.364  103.843   10.501  208.493   10.974  194.139   10.010 14.35350 14.85336 
1 1 1  -12   21   43 o   78.142   11.609   12.121   6.5851   41.172   10.269  -8.1669   8.5818  120.194   15.811   36.089   17.003 84.10551 23.21838 
1 1 1  -12   21   44 o   85.711   12.715   20.732   6.8072   43.146   10.073   1.8932   9.2349  123.215   15.129   48.207   20.439 75.00848 25.42905 
1 1 1  -12   21   45 o   85.755   14.871   23.021   6.8112   21.040   10.454   24.483   8.9787   81.687   22.809   89.823   19.087 -8.135590 29.74142 
1 1 1  -12   21   46 o  296.071   9.0190  242.015   14.429   0.0000   0.0000  242.015   14.429  ?   ?   296.071   9.0190      ?      ? 
1 1 1  -12   21   47 o   48.734   14.953  -1.0578   7.9678   6.8559   9.9752 -15.0068   13.244   55.606   22.133   41.863   20.111 13.74296 29.90516 
1 1 1  -12   21   48 o   93.632   17.806   27.353   8.7816   23.291   10.684   35.811   15.417   84.929   22.801  102.336   27.354 -17.40701 35.61117 
1 1 1  -12   21   49 o  132.711   12.131   52.226   7.9939   51.486   14.286   52.563   9.6452  129.660   20.390  135.763   13.147 -6.103088 24.26141 
1 1 1  -12   21   50 f  248.714   9.3810  172.303   12.608   0.0000   0.0000  172.303   12.608  ?   ?   248.714   9.3810      ?      ? 
1 1 1  -12   21   51 o  145.989   9.8917   63.097   7.6160   54.985   11.561   69.316   10.123  136.185   15.709  155.793   12.025 -19.60774 19.78345 
1 1 1  -12   21   52 o   99.960   13.721   31.212   7.2227   39.617   11.049   24.939   9.5447  113.126   18.074   86.795   20.650 26.33110 27.44281 
1 1 1  -12   21   53 o  170.816   14.518   98.169   11.755   66.824   18.442  119.617   15.255  139.120   25.470  202.512   13.940 -63.39137 29.03525 
1 1 1  -12   21   54 o   84.014   19.741   26.189   10.100   33.964   17.119   22.038   12.509   90.823   30.008   77.206   25.658 13.61727 39.48199 
1 1 1  -12   21   55 o   56.842   16.020   8.4248   8.1920  -2.3478   11.289   20.405   11.906   43.194   20.072   70.490   24.973 -27.29571 32.03937 
1 1 1  -12   21   56 o  163.254   9.7459   82.257   8.2629   66.295   12.572   94.396   10.964  146.163   15.917  180.345   11.250 -34.18219 19.49186 
1 1 1  -12   21   57 o  113.261   12.518   42.308   7.6032   46.269   11.636   39.357   10.044  116.971   18.409  109.551   16.967 7.420158 25.03538 
1 1 1  -12   22    1 o  357.592   6.9053  345.734   13.331  326.745   18.454  366.457   19.278  347.335   9.8322  367.849   9.6985 -20.51428 13.81059 
1 1 1  -12   22    3 o  203.352   11.875  112.124   13.049   0.0000   0.0000  112.124   13.049  ?   ?   203.352   11.875      ?      ? 
1 1 1  -12   22    4 o  442.966   10.215  531.557   24.451   0.0000   0.0000  531.557   24.451  ?   ?   442.966   10.215      ?      ? 
1 1 1  -12   22    5 o  553.858   11.236  831.494   33.627   0.0000   0.0000  831.494   33.627  ?   ?   553.858   11.236      ?      ? 
1 1 1  -12   22    6 o  517.191   7.6558  723.982   21.381  699.496   29.584  750.760   30.937  508.054   10.776  526.327   10.878 -18.27289 15.31160 
1 1 1  -12   22    7 o  301.540   6.9475  245.909   11.310  232.536   15.674  260.435   16.337  292.995   9.9001  310.085   9.7499 -17.09052 13.89506 
1 1 1  -12   22    8 o  270.905   7.4371  198.952   10.882  192.382   15.428  205.457   15.350  266.438   10.715  275.373   10.316 -8.935638 14.87416 
1 1 1  -12   22    9 o  268.158   7.3969  194.975   10.690  176.956   14.992  213.610   15.246  255.517   10.858  280.799   10.048 -25.28264 14.79376 
1 1 1  -12   22   10 f  300.331   10.203  244.390   16.559   0.0000   0.0000  244.390   16.559  ?   ?   300.331   10.203      ?      ? 
1 1 1  -12   22   11 o  388.785   13.195  410.360   27.721   0.0000   0.0000  410.360   27.721  ?   ?   388.785   13.195      ?      ? 
1 1 1  -12   22   12 o  424.109   13.582  488.513   31.126   0.0000   0.0000  488.513   31.126  ?   ?   424.109   13.582      ?      ? 
1 1 1  -12   22   13 o  423.341   9.4987  486.038   21.710  514.865   31.345  459.459   30.098  435.406   13.323  411.276   13.543 24.12936 18.99738 
1 1 1  -12   22   14 o  267.360   9.0764  194.028   13.081  193.108   17.866  195.090   19.205  266.722   12.396  267.997   13.261 -1.275238 18.15281 
1 1 1  -12   22   15 o  477.077   10.083  618.806   25.989  632.658   37.063  605.405   36.454  482.337   14.220  471.817   14.298 10.51965 20.16556 
1 1 1  -12   22   16 o  399.744   9.4694  428.815   20.318  487.162   30.961  384.685   26.926  423.292   13.536  376.196   13.246 47.09653 18.93876 
1 1 1  -12   22   17 o  262.794   9.5969  185.779   13.536  159.212   18.174  218.874   20.284  241.885   13.905  283.703   13.231 -41.81828 19.19387 
1 1 1  -12   22   18 o  453.222   14.288  559.459   34.993   0.0000   0.0000  559.459   34.993  ?   ?   453.222   14.288      ?      ? 
1 1 1  -12   22   20 o  625.978   17.243  1072.52   58.327   0.0000   0.0000  1072.52   58.327  ?   ?   625.978   17.243      ?      ? 
1 1 1  -12   22   21 o  377.211   10.450  386.756   21.022  397.973   32.668  378.829   27.464  381.578   15.844  372.845   13.632 8.732941 20.90085 
1 1 1  -12   22   22 o  319.281   6.9080  276.543   11.906  280.734   17.282  272.756   16.427  321.554   9.9459  317.007   9.5896 4.547546 13.81600 
1 1 1  -12   22   23 o  148.025   10.084   59.848   8.0575   60.019   11.666   59.692   11.142  148.192   14.568  147.859   13.945 0.3334198 20.16708 
1 1 1  -12   22   24 o   61.827   16.462   7.5936   7.6299   3.7225   10.726   11.559   10.856   55.724   22.678   67.930   23.869 -12.20557 32.92449 
1 1 1  -12   22   25 o  292.825   6.9889  233.719   11.030  218.694   15.801  247.998   15.403  283.542   10.313  302.108   9.4355 -18.56607 13.97777 
1 1 1  -12   22   26 o  209.242   7.8425  118.523   8.8411  129.945   13.100  108.969   11.981  218.444   11.098  200.040   11.084 18.40489 15.68504 
1 1 1  -12   22   27 o  243.330   7.4601  160.958   9.7797  163.919   14.457  158.460   13.279  245.328   10.905  241.332   10.183 3.996124 14.92029 
1 1 1  -12   22   28 o   90.989   15.067   23.897   7.2625   25.648   10.721   22.412   9.8730   94.038   21.558   87.941   21.056 6.097008 30.13464 
1 1 1  -12   22   29 o  102.223   14.026   29.960   7.4250   30.983   11.208   29.159   9.9119  103.555   20.753  100.891   18.875 2.663872 28.05224 
1 1 1  -12   22   30 o  262.680   9.7167  188.033   13.792   0.0000   0.0000  188.033   13.792  ?   ?   262.680   9.7167      ?      ? 
1 1 1  -12   22   31 o  240.089   7.2020  158.010   9.2881  139.298   13.201  176.353   13.071  225.796   10.819  254.381   9.5087 -28.58513 14.40406 
1 1 1  -12   22   32 o  189.382   8.0968   98.188   8.2759   98.161   11.999   98.213   11.430  189.296   11.730  189.469   11.164 -0.1724243 16.19356 
1 1 1  -12   22   33 o   70.086   15.213   12.560   7.0028   22.658   10.150   3.3875   9.6738   87.717   21.566   52.455   21.464 35.26257 30.42654 
1 1 1  -12   22   34 o  110.421   12.527   35.226   7.1546   30.546   10.676   39.040   9.6393  102.276   20.034  118.566   15.045 -16.29060 25.05452 
1 1 1  -12   22   35 o  241.193   7.1826  160.613   9.2847  142.703   13.454  176.898   12.829  227.996   10.921  254.391   9.3328 -26.39433 14.36518 
1 1 1  -12   22   36 o  170.448   8.7942   80.931   7.9932   66.465   11.344   95.197   11.265  154.839   13.558  186.058   11.205 -31.21953 17.58831 
1 1 1  -12   22   37 o  154.468   8.9077   65.601   7.4079   73.808   10.941   58.654   10.066  163.391   12.392  145.545   12.799 17.84641 17.81533 
1 1 1  -12   22   38 o   67.485   15.285   11.152   6.8744   21.860   10.480   3.0634   9.1078   84.845   22.493   50.125   20.704 34.72003 30.57090 
1 1 1  -12   22   39 o  142.020   9.7245   56.090   7.4193   59.202   11.221   53.674   9.8895  145.309   14.291  138.732   13.192 6.576843 19.44890 
1 1 1  -12   22   40 o  103.261   12.545   30.922   6.8211   34.814   9.8460   27.330   9.4587  110.631   16.470   95.891   18.926 14.73942 25.08910 
1 1 1  -12   22   41 o   50.600   14.750   3.1343   6.6535  -0.4340   9.5235   6.5367   9.2995   46.091   20.150   55.109   21.544 -9.018654 29.49914 
1 1 1  -12   22   42 o  105.440   12.437   32.579   6.8962   31.428   10.121   33.576   9.4224  102.506   18.970  108.375   16.090 -5.868599 24.87422 
1 1 1  -12   22   43 o  268.744   9.3704  199.276   13.608   0.0000   0.0000  199.276   13.608  ?   ?   268.744   9.3704      ?      ? 
1 1 1  -12   22   44 o   69.681   16.131   14.719   6.9454   16.861   10.653   13.137   9.1595   73.359   23.637   66.002   21.957 7.357521 32.26151 
1 1 1  -12   22   45 o   94.785   13.940   27.814   6.8716   26.443   10.280   28.921   9.2388   91.764   21.164   97.807   18.149 -6.042923 27.87994 
1 1 1  -12   22   46 o  124.954   14.143   44.899   9.1160   39.751   11.108   55.518   15.954  115.967   17.726  133.941   22.042 -17.97366 28.28564 
1 1 1  -12   22   47 o  106.316   16.143   34.055   8.6619   28.447   10.626   45.158   14.953   94.846   21.260  117.787   24.299 -22.94041 32.28660 
1 1 1  -12   22   48 o  198.331   9.1373  109.144   9.2367  122.500   16.331  102.863   11.200  205.384   14.715  191.277   10.836 14.10760 18.27464 
1 1 1  -12   22   49 f   59.426   15.639   7.9182   7.1357   17.768   10.992   0.7447   9.3809   73.070   24.041   45.782   20.008 27.28844 31.27765 
1 1 1  -12   22   50 o  187.188   8.3464  100.062   8.3942  104.408   12.659   96.652   11.214  190.327   12.309  184.050   11.276 6.277115 16.69277 
1 1 1  -12   22   51 o  189.655   11.847  108.161   10.367  109.167   20.752  107.827   11.967  184.810   20.780  194.500   11.386 -9.690018 23.69456 
1 1 1  -12   22   52 o   88.298   19.984   28.337   10.480   34.437   17.365   24.842   13.144   93.646   30.178   82.951   26.206 10.69508 39.96841 
1 1 1  -12   22   53 o   99.383   19.236   41.094   10.628   37.613   18.093   42.928   13.132   89.584   30.852  109.182   22.985 -19.59803 38.47254 
1 1 1  -12   22   54 o  109.206   13.521   39.684   7.7230   37.816   11.476   41.231   10.441  104.339   21.079  114.074   16.939 -9.735123 27.04180 
1 1 1  -12   22   55 o  162.145   9.7819   80.932   8.3642   73.091   12.818   86.747   11.038  152.887   15.515  171.403   11.918 -18.51643 19.56386 
1 1 1  -12   23    1 o  253.884   8.9688  173.230   12.228  159.775   16.224  190.923   18.605  242.617   12.375  265.152   12.985 -22.53540 17.93756 
1 1 1  -12   23    2 o  385.211   8.9508  402.606   18.625  413.063   26.769  392.793   25.931  390.051   12.701  380.372   12.616 9.678619 17.90167 
1 1 1  -12   23    3 o  250.895   9.1094  170.962   12.329  171.419   16.957  170.451   17.957  251.289   12.488  250.502   13.266 0.7867737 18.21886 
1 1 1  -12   23    4 o  346.594   8.8939  325.214   16.634  347.072   24.271  305.856   22.841  357.547   12.562  335.642   12.594 21.90485 17.78787 
1 1 1  -12   23    5 o  429.752   9.5195  499.788   22.061  536.036   32.466  468.694   30.070  444.159   13.527  415.346   13.398 28.81369 19.03909 
1 1 1  -12   23    6 o  283.829   9.0923  218.513   13.930  213.153   19.173  224.505   20.272  280.170   12.664  287.488   13.050 -7.318726 18.18455 
1 1 1  -12   23    7 o  163.195   11.692   72.923   10.108   92.117   14.623   55.360   13.987  184.005   14.706  142.385   18.180 41.61977 23.38328 
1 1 1  -12   23    8 o  269.711   9.0727  197.119   13.205  187.590   18.123  207.905   19.282  262.787   12.762  276.634   12.899 -13.84772 18.14547 
1 1 1  -12   23    9 o  154.113   11.833   65.025   9.7024   66.194   12.725   63.401   14.996  155.911   15.104  152.316   18.219 3.595032 23.66581 
1 1 1  -12   23   10 f  377.113   9.1790  384.635   18.647  363.063   25.184  410.811   27.741  365.508   12.751  388.718   13.207 -23.21024 18.35794 
1 1 1  -12   23   11 o  451.045   9.7414  552.105   23.702  529.730   32.382  577.928   34.787  441.272   13.580  460.818   13.970 -19.54596 19.48283 
1 1 1  -12   23   12 o   74.578   17.233   11.515   8.7920   0.9950   11.611   25.653   13.460   54.498   23.001   94.657   25.669 -40.15983 34.46658 
1 1 1  -12   23   13 o  332.441   7.9027  298.079   13.849  309.234   22.359  291.135   17.641  337.281   12.268  327.600   9.9655 9.680573 15.80541 
1 1 1  -12   23   14 o  182.957   8.9785   91.074   8.8728   91.939   12.406   90.167   12.695  183.867   12.487  182.046   12.905 1.820709 17.95699 
1 1 1  -12   23   15 o  705.726   11.816  1390.78   42.953  1260.14   70.647  1467.39   54.101  677.461   19.298  733.990   13.640 -56.52924 23.63237 
1 1 1  -12   23   16 o  240.775   13.790  164.894   17.285  130.203   26.316  191.216   22.923  217.058   22.436  264.492   16.038 -47.43434 27.57944 
1 1 1  -12   23   17 o  275.156   11.400  206.831   16.643  208.401   26.170  205.766   21.567  275.717   17.565  274.594   14.535 1.123322 22.79910 
1 1 1  -12   23   18 o  351.775   10.716  339.716   20.163  326.577   30.430  350.000   26.921  345.367   16.305  358.182   13.909 -12.81473 21.43197 
1 1 1  -12   23   19 o  360.422   6.9820  351.698   13.574  325.997   18.639  380.724   19.808  346.429   9.9568  374.414   9.7906 -27.98425 13.96396 
1 1 1  -12   23   20 o  324.081   7.0057  285.121   12.257  267.937   17.061  303.447   17.619  313.973   10.056  334.189   9.7567 -20.21643 14.01144 
1 1 1  -12   23   21 o   83.962   14.687   18.743   7.7995   3.7227   10.890   34.562   11.176   56.021   22.831  111.903   18.482 -55.88169 29.37427 
1 1 1  -12   23   22 o  485.750   10.364  641.893   27.204   0.0000   0.0000  641.893   27.204  ?   ?   485.750   10.364      ?      ? 
1 1 1  -12   23   23 o  221.927   7.8115  134.240   9.3591  129.965   13.374  138.342   13.102  218.416   11.331  225.438   10.755 -7.021515 15.62294 
1 1 1  -12   23   24 o  244.296   7.4818  162.797   9.8253  142.514   13.783  183.754   14.010  228.691   11.153  259.901   9.9756 -31.20927 14.96368 
1 1 1  -12   23   25 o  215.453   7.8566  126.565   9.1456  127.770   13.064  125.406   12.808  216.448   11.169  214.457   11.052 1.990707 15.71314 
1 1 1  -12   23   26 o  159.197   9.5880   69.757   8.2185   64.528   11.794   74.693   11.459  153.254   14.242  165.140   12.841 -11.88640 19.17592 
1 1 1  -12   23   27 o  211.979   7.9386  122.776   9.0806  123.062   13.203  122.519   12.509  212.151   11.517  211.807   10.929 0.3439178 15.87729 
1 1 1  -12   23   28 o  185.998   11.319   94.609   11.377   0.0000   0.0000   94.609   11.377  ?   ?   185.998   11.319      ?      ? 
1 1 1  -12   23   29 o  154.347   9.7688   64.458   8.0628   79.038   12.269   53.374   10.697  169.534   13.392  139.160   14.225 30.37344 19.53754 
1 1 1  -12   23   30 o   76.901   15.289   17.135   7.1059   8.3848   10.324   25.012   9.7955   61.192   23.003   92.610   20.147 -31.41856 30.57883 
1 1 1  -12   23   31 f   59.770   15.955   7.9245   7.0486   7.0482   9.9783   8.7974   9.9581   58.369   22.455   61.171   22.671 -2.801704 31.90965 
1 1 1  -12   23   32 f  231.358   7.3213  146.900   9.1109  143.458   13.455  149.814   12.381  228.683   10.888  234.033   9.7904 -5.349777 14.64268 
1 1 1  -12   23   33 f   93.387   14.279   25.298   7.2805   37.177   10.649   14.871   9.9765  115.008   17.135   71.767   22.848 43.24169 28.55885 
1 1 1  -12   23   34 o  305.503   6.7759  256.224   11.150  243.436   16.155  267.859   15.409  298.010   10.032  312.995   9.1106 -14.98529 13.55178 
1 1 1  -12   23   35 o  163.563   9.2280   75.314   8.0222   64.753   11.867   84.203   10.887  152.379   14.412  174.747   11.529 -22.36737 18.45591 
1 1 1  -12   23   36 o  172.139   8.5675   81.569   7.9411   88.545   11.855   75.892   10.695  178.715   12.276  165.563   11.955 13.15167 17.13508 
1 1 1  -12   23   37 o  151.039   9.5041   63.598   7.7495   66.101   11.264   61.349   10.678  153.815   13.553  148.264   13.328 5.551102 19.00821 
1 1 1  -12   23   38 o   86.295   14.862   22.421   7.0937   31.593   10.340   14.266   9.7500  103.098   19.269   69.493   22.631 33.60497 29.72322 
1 1 1  -12   23   39 o   59.381   15.615   9.0236   6.6699   8.0303   10.244   9.7544   8.7875   58.804   22.716   59.958   21.432 -1.153629 31.23093 
1 1 1  -12   23   40 o  170.399   8.4981   81.872   7.7279   72.872   11.419   89.478   10.497  161.154   13.113  179.644   10.814 -18.48988 16.99622 
1 1 1  -12   23   41 o   79.079   15.418   19.617   6.8792   16.211   10.102   22.561   9.3939   72.541   22.980   85.617   20.563 -13.07607 30.83685 
1 1 1  -12   23   42 o  143.650   9.4577   57.979   7.3176   64.130   10.853   52.852   9.9089  150.610   13.335  136.691   13.415 13.91945 18.91545 
1 1 1  -12   23   43 o   57.170   15.554   8.1070   6.7811   6.9037   10.115   9.0893   9.1388   56.039   22.294   58.300   21.696 -2.260788 31.10858 
1 1 1  -12   23   44 o   70.462   13.745   14.429   6.8847  -2.1499   10.246   28.076   9.2959   45.050   20.228   95.873   18.615 -50.82294 27.48944 
1 1 1  -12   23   45 o   55.378   15.409   6.1651   6.8223   11.491   10.526   2.3076   8.9584   63.293   23.338   47.463   20.127 15.82930 30.81865 
1 1 1  -12   23   46 o   75.949   18.310   19.159   8.7572   19.293   10.699   18.887   15.244   76.455   23.564   75.444   28.032 1.011497 36.62027 
1 1 1  -12   23   47 o   57.255   16.373   5.7018   7.6728   14.293   12.978   1.0855   9.5134   67.996   25.740   46.513   20.242 21.48353 32.74549 
1 1 1  -12   23   48 o   80.214   17.486   21.663   8.0551   26.734   13.576   18.908   10.007   85.735   26.563   74.694   22.748 11.04072 34.97195 
1 1 1  -12   23   49 o  124.034   11.870   47.544   7.7124   41.855   11.906   51.656   10.123  115.524   19.073  132.544   14.134 -17.02005 23.73928 
1 1 1  -12   23   50 o  157.220   15.065   78.762   11.960   79.662   20.699   78.311   14.654  153.259   24.994  161.181   16.824 -7.922195 30.12946 
1 1 1  -12   23   51 o   87.370   20.666   27.774   10.954   42.477   19.321   20.809   13.298   99.850   31.796   74.890   26.408 24.95991 41.33231 
1 1 1  -12   23   52 o   89.631   15.963   30.359   7.7684   27.264   11.472   32.980   10.557   83.069   24.127   96.192   20.908 -13.12212 31.92560 
1 1 1  -12   23   53 o  103.163   14.410   38.246   7.8315   21.473   11.475   52.869   10.715   74.811   24.561  131.514   15.077 -56.70271 28.81981 
1 1 1  -12   23   54 o   63.247   16.433   15.440   7.2899   18.719   11.330   13.123   9.5230   67.298   24.303   59.196   22.124 8.101891 32.86548 
1 1 1  -12   24    1 o  417.100   7.3697  471.853   16.604  454.400   23.148  490.347   23.829  409.153   10.470  425.047   10.375 -15.89374 14.73947 
1 1 1  -12   24    4 o  237.191   7.6084  152.147   9.7320  142.540   13.271  163.323   14.314  229.128   10.719  245.254   10.801 -16.12660 15.21684 
1 1 1  -12   24    5 o  201.275   8.3421  109.838   9.0576  105.644   12.378  114.672   13.290  197.167   11.618  205.383   11.975 -8.215485 16.68416 
1 1 1  -12   24    6 o  206.599   8.0889  115.691   9.0165  107.349   12.434  124.941   13.094  198.750   11.578  214.448   11.299 -15.69722 16.17773 
1 1 1  -12   24    7 o  277.352   7.3579  207.736   10.986  221.125   16.420  196.885   14.782  285.369   10.649  269.334   10.157 16.03473 14.71574 
1 1 1  -12   24    8 o  547.821   7.9920  815.279   23.655  800.179   33.146  830.951   33.769  542.653   11.304  552.989   11.301 -10.33679 15.98395 
1 1 1  -12   24    9 o  220.689   11.526  132.390   13.745   0.0000   0.0000  132.390   13.745  ?   ?   220.689   11.526      ?      ? 
1 1 1  -12   24   11 o   36.316   17.688 -19.8141   11.176 -19.8141   11.176   0.0000   0.0000   36.316   17.688  ?   ?       ?      ? 
1 1 1  -12   24   12 f  230.947   12.453  149.632   12.552  140.676   27.169  152.062   14.153  225.383   22.308  236.510   11.074 -11.12608 24.90554 
1 1 1  -12   24   13 o  115.482   22.826   38.961   14.727   41.306   22.125   37.095   19.735  118.430   33.223  112.534   31.310 5.895927 45.65166 
1 1 1  -12   24   14 o  168.486   17.277   78.415   15.613   86.014   23.915   72.770   20.612  175.343   25.240  161.629   23.600 13.71408 34.55465 
1 1 1  -12   24   15 o  405.943   10.984  452.902   24.013  414.865   34.205  489.865   33.719  388.806   16.281  423.079   14.749 -34.27356 21.96796 
1 1 1  -12   24   16 o  175.769   9.7987   84.867   9.1670   67.109   12.764  103.788   13.174  156.492   15.093  195.046   12.500 -38.55318 19.59745 
1 1 1  -12   24   18 o   50.805   15.318  -0.8355   7.6741   4.5489   10.563  -6.8546   11.168   56.481   22.676   45.129   20.601 11.35211 30.63615 
1 1 1  -12   24   19 o  318.264   6.9521  275.477   11.952  271.275   17.035  279.552   16.774  315.842   9.9812  320.686   9.6799 -4.843994 13.90411 
1 1 1  -12   24   20 o  356.568   9.6722  345.714   18.636   0.0000   0.0000  345.714   18.636  ?   ?   356.568   9.6722      ?      ? 
1 1 1  -12   24   21 o  132.998   16.393   48.740   11.781   0.0000   0.0000   48.740   11.781  ?   ?   132.998   16.393      ?      ? 
1 1 1  -12   24   22 o  406.007   7.0864  448.396   15.526  416.548   21.579  482.574   22.355  391.017   10.213  420.997   9.8265 -29.97989 14.17271 
1 1 1  -12   24   23 o  138.559   15.136   52.903   11.332   0.0000   0.0000   52.903   11.332  ?   ?   138.559   15.136      ?      ? 
1 1 1  -12   24   24 o  407.749   9.7859  453.174   21.562   0.0000   0.0000  453.174   21.562  ?   ?   407.749   9.7859      ?      ? 
1 1 1  -12   24   25 o  310.704   6.9993  263.694   11.729  246.735   16.664  280.344   16.512  300.681   10.256  320.726   9.5274 -20.04492 13.99863 
1 1 1  -12   24   26 o  112.436   12.553   35.241   7.6237   34.682   10.871   35.782   10.694  111.501   18.043  113.370   17.457 -1.868523 25.10536 
1 1 1  -12   24   27 o  199.971   8.1702  108.912   8.7960  117.018   13.148  102.345   11.835  206.613   11.776  193.329   11.328 13.28432 16.34042 
1 1 1  -12   24   28 o   64.889   16.425   10.651   7.3240   12.119   10.356   9.1818   10.359   67.386   23.333   62.391   23.123 4.994667 32.85028 
1 1 1  -12   24   29 o  152.508   9.5763   64.410   7.8764   61.919   11.349   66.724   10.940  149.528   14.046  155.488   13.021 -5.960587 19.15254 
1 1 1  -12   24   30 o   37.918   12.675 -10.8059   6.9212 -14.9144   10.055  -7.1066   9.5412   35.722   17.252   40.113   18.574 -4.391014 25.35007 
1 1 1  -12   24   31 o  192.009   8.1841  102.094   8.4274   95.392   12.443  107.773   11.455  185.893   12.387  198.124   10.699 -12.23055 16.36815 
1 1 1  -12   24   32 o  288.315   6.8728  227.639   10.644  228.845   15.957  226.672   14.288  288.789   10.226  287.841   9.1858 0.9474182 13.74552 
1 1 1  -12   24   33 o   98.537   13.999   29.642   7.2412   19.205   10.640   38.646   9.8828   79.776   23.255  117.299   15.592 -37.52300 27.99840 
1 1 1  -12   24   34 o  120.384   11.858   41.035   7.7042   43.339   11.236   38.992   10.583  123.544   16.831  117.225   16.708 6.318794 23.71602 
1 1 1  -12   24   35 f  125.938   11.318   44.571   7.6592   51.682   11.336   38.598   10.389  135.289   15.506  116.588   16.491 18.70111 22.63624 
1 1 1  -12   24   36 o   72.873   16.137   15.547   7.2901   21.534   10.588   10.150   10.052   83.525   22.814   62.221   22.827 21.30407 32.27337 
1 1 1  -12   24   37 o  114.817   12.871   39.223   7.6383   32.429   11.116   45.302   10.514  103.400   20.618  126.235   15.413 -22.83471 25.74204 
1 1 1  -12   24   38 o   97.013   14.528   28.728   7.3847   25.441   10.436   32.026   10.451   90.786   21.588  103.240   19.448 -12.45312 29.05621 
1 1 1  -12   24   39 o  163.667   9.2247   76.239   8.0489   65.138   11.699   86.218   11.091  151.574   14.283  175.761   11.678 -24.18614 18.44946 
1 1 1  -12   24   40 o   79.608   15.541   19.784   7.1314   26.317   10.227   13.601   9.9491   91.991   21.032   67.224   22.885 24.76667 31.08172 
1 1 1  -12   24   41 o  117.771   12.395   42.019   7.4538   33.590   11.017   49.136   10.122  104.375   20.264  131.166   14.281 -26.79115 24.79083 
1 1 1  -12   24   42 o   66.888   16.141   13.363   7.0497   17.373   10.524   10.101   9.4945   73.645   23.469   60.131   22.166 13.51428 32.28181 
1 1 1  -12   24   43 o   83.824   14.445   22.325   7.3488   8.8838   10.657   34.511   10.147   59.373   23.104  108.274   17.343 -48.90201 28.88923 
1 1 1  -12   24   44 o  186.404   8.4586   98.720   8.4762   89.406   12.142  107.572   11.838  177.276   12.675  195.532   11.204 -18.25604 16.91716 
1 1 1  -12   24   45 o  100.629   17.596   30.099   8.9438   22.678   10.590   48.559   16.703   82.715   22.908  118.542   26.715 -35.82703 35.19174 
1 1 1  -12   24   46 o  124.426   13.446   44.408   8.5157   64.392   14.603   34.111   10.482  144.882   18.653  103.970   19.371 40.91110 26.89162 
1 1 1  -12   24   47 o   74.753   15.487   20.581   8.0865   2.3581   13.854   29.998   9.9590   53.424   23.787   96.082   19.839 -42.65803 30.97406 
1 1 1  -12   24   48 o   61.124   17.935   7.4309   11.000 -14.2522   19.465   17.604   13.332   50.861   24.419   71.386   26.274 -20.52425 35.86963 
1 1 1  -12   24   49 o   53.388   17.347  -1.2216   10.828  -2.6261   19.223  -0.5689   13.105   56.583   26.259   50.193   22.675 6.390423 34.69413 
1 1 1  -12   24   50 o  134.092   13.215   58.728   9.5058   53.574   12.554   65.653   14.553  127.970   18.154  140.214   19.207 -12.24419 26.42916 
1 1 1  -12   24   51 o   84.412   16.665   26.510   7.8468   27.098   11.992   26.070   10.377   83.869   24.756   84.955   22.316 -1.086426 33.32956 
1 1 1  -12   24   52 o  127.667   13.528   57.311   8.3178   36.822   12.412   74.013   11.207   98.676   23.596  156.659   13.238 -57.98259 27.05602 
1 1 1  -12   25    1 o  477.431   16.500  625.450   42.567   0.0000   0.0000  625.450   42.567  ?   ?   477.431   16.500      ?      ? 
1 1 1  -12   25    2 o  244.054   7.7337  162.018   10.199  160.101   14.363  163.968   14.484  242.594   10.957  245.513   10.918 -2.918579 15.46735 
1 1 1  -12   25    4 o   99.245   15.389   28.389   8.0286   26.514   11.433   30.214   11.277   95.820   22.470  102.669   21.034 -6.849571 30.77873 
1 1 1  -12   25    5 o  206.287   8.4428  115.941   9.4111  115.319   13.281  116.569   13.338  205.730   11.946  206.844   11.933 -1.114136 16.88557 
1 1 1  -12   25    6 o  229.481   7.9706  143.533   9.8714  150.501   13.884  136.409   14.038  235.173   10.925  223.790   11.609 11.38335 15.94121 
1 1 1  -12   25    7 o  119.527   12.488   39.336   8.0514   36.312   11.275   42.483   11.501  114.772   18.180  124.282   17.125 -9.509926 24.97593 
1 1 1  -12   25    8 o  199.518   14.183  118.915   11.920   96.104   25.845  125.078   13.435  184.774   25.885  214.262   11.604 -29.48772 28.36696 
1 1 1  -12   25    9 o  146.714   21.279   65.257   16.426   44.955   24.504   81.824   22.135  122.492   35.171  170.937   23.964 -48.44524 42.55886 
1 1 1  -12   25   10 o  121.551   21.272   48.449   15.775   10.279   27.067   68.086   19.414   86.984   35.783  156.117   23.013 -69.13219 42.54477 
1 1 1  -12   25   11 o  137.465   21.424   57.984   15.915   36.216   24.063   74.910   21.219  111.414   35.485  163.516   24.015 -52.10248 42.84723 
1 1 1  -12   25   12 o  474.729   15.837  618.694   40.626   0.0000   0.0000  618.694   40.626  ?   ?   474.729   15.837      ?      ? 
1 1 1  -12   25   13 o  273.227   7.2505  202.081   10.677  222.002   15.712  184.989   14.554  285.691   10.178  260.763   10.329 24.92737 14.50094 
1 1 1  -12   25   14 o  107.339   13.725   32.134   7.7749   28.809   10.482   36.199   11.592  100.261   20.049  114.417   18.749 -14.15623 27.44953 
1 1 1  -12   25   15 o   99.524   14.764   28.329   7.8400   34.922   11.105   21.778   11.069  112.389   18.286   86.659   23.185 25.73008 29.52821 
1 1 1  -12   25   16 o  314.682   6.9694  268.899   11.833  249.260   16.360  290.448   17.137  302.623   10.004  326.741   9.7059 -24.11786 13.93886 
1 1 1  -12   25   17 o  155.289   10.563   66.286   8.8623   66.579   12.650   66.004   12.420  155.607   15.044  154.972   14.831 0.6349182 21.12548 
1 1 1  -12   25   18 o  136.215   10.873   51.423   7.9532   55.467   10.970   46.943   11.547  142.074   14.289  130.357   16.393 11.71629 21.74632 
1 1 1  -12   25   19 o  155.550   9.9858   66.634   8.3687   60.689   11.812   72.626   11.858  148.455   14.725  162.646   13.493 -14.19080 19.97157 
1 1 1  -12   25   20 o  140.038   11.382   54.753   8.5133   63.044   11.912   46.098   12.171  151.271   14.573  128.806   17.487 22.46498 22.76309 
1 1 1  -12   25   21 o   55.237   15.608   3.8263   7.3162   9.0244   10.253  -1.5667   10.443   62.275   23.019   48.199   21.086 14.07628 31.21691 
1 1 1  -12   25   22 o  294.985   9.8120  237.339   15.640   0.0000   0.0000  237.339   15.640  ?   ?   294.985   9.8120      ?      ? 
1 1 1  -12   25   23 o   46.067   14.425  -3.7958   7.2094  -8.1400   9.7785   1.3778   10.671   40.100   18.649   52.033   22.011 -11.93313 28.84927 
1 1 1  -12   25   24 f  239.862   7.4565  157.648   9.6378  144.806   13.667  170.352   13.593  229.999   10.997  249.724   10.073 -19.72484 14.91295 
1 1 1  -12   25   25 o   85.581   15.801   21.639   7.3982   24.037   10.693   19.437   10.246   90.049   22.132   81.114   22.558 8.935669 31.60220 
1 1 1  -12   25   26 o  180.182   11.884   89.316   11.570   0.0000   0.0000   89.316   11.570  ?   ?   180.182   11.884      ?      ? 
1 1 1  -12   25   27 o   51.871   15.352   2.3798   7.2073   2.0111   10.609   2.6958   9.8221   52.250   22.016   51.493   21.403 0.7570038 30.70483 
1 1 1  -12   25   28 o  144.537   10.403   58.093   8.1189   61.034   11.720   55.380   11.258  148.068   14.648  141.007   14.775 7.061325 20.80530 
1 1 1  -12   25   29 o   81.130   15.666   19.189   7.5222   28.973   10.855   10.150   10.433   98.748   20.990   63.512   23.263 35.23539 31.33258 
1 1 1  -12   25   30 o  100.923   13.847   29.227   7.3653   37.449   11.076   22.709   9.8619  114.846   17.847   87.000   21.177 27.84572 27.69449 
1 1 1  -12   25   31 o  237.482   7.5231  155.237   9.6040  157.086   14.365  153.743   12.914  238.534   11.145  236.430   10.108 2.103867 15.04624 
1 1 1  -12   25   32 o   78.410   15.337   18.404   7.2960   8.6275   10.407   27.853   10.232   60.431   23.007   96.390   20.286 -35.95916 30.67338 
1 1 1  -12   25   33 o  145.815   10.169   59.577   7.9456   61.083   12.095   58.433   10.539  147.096   15.216  144.534   13.494 2.561951 20.33737 
1 1 1  -12   25   34 o   84.439   16.010   22.061   7.4410   22.768   10.931   21.451   10.158   85.532   23.105   83.345   22.168 2.186920 32.02020 
1 1 1  -12   25   35 o   80.669   16.388   20.301   7.5227   19.959   10.790   20.624   10.494   79.981   23.447   81.358   22.901 -1.376175 32.77538 
1 1 1  -12   25   36 o   89.968   15.385   24.467   7.6594   36.130   11.456   15.040   10.300  109.365   20.127   70.570   23.274 38.79469 30.77018 
1 1 1  -12   25   37 o  171.848   9.1155   82.704   8.4222   86.774   12.669   79.481   11.274  175.362   13.369  168.335   12.395 7.027786 18.23097 
1 1 1  -12   25   38 o  118.916   11.788   40.845   7.5309   47.177   11.006   35.269   10.327  127.905   15.924  109.927   17.385 17.97779 23.57596 
1 1 1  -12   25   39 o   52.753   15.384   4.6820   7.0963   4.8357   9.8523   4.5163   10.230   52.658   21.617   52.848   21.894 -0.1903038 30.76779 
1 1 1  -12   25   40 o   59.304   15.196   8.0320   7.1110  -1.9324   10.303   17.098   9.8270   45.385   20.337   73.223   22.586 -27.83790 30.39291 
1 1 1  -12   25   41 o   51.759   14.818   3.5118   6.8882  -3.5597   9.8044   10.405   9.6797   42.712   19.422   60.807   22.386 -18.09563 29.63684 
1 1 1  -12   25   42 o   68.204   16.446   14.472   7.3477   18.226   10.700   11.121   10.108   74.555   23.653   61.852   22.858 12.70279 32.89297 
1 1 1  -12   25   43 o   49.324   14.885   2.2258   7.1911  -2.4567   10.575   6.2533   9.8077   44.923   20.325   53.724   21.751 -8.800571 29.76925 
1 1 1  -12   25   44 o   50.411   15.773   1.0200   8.4498   4.5013   10.322  -6.0518   14.712   51.717   21.750   49.105   22.850 2.611530 31.54630 
1 1 1  -12   25   45 o   34.314   12.031 -21.2863   8.1674 -24.0315   13.165 -19.5685   10.414   36.169   17.921   32.458   16.057 3.710747 24.06269 
1 1 1  -12   25   46 o   61.635   25.338   10.153   13.560   0.0000   0.0000   10.153   13.560  ?   ?    61.635   25.338      ?      ? 
1 1 1  -12   25   47 o   72.756   17.349   17.155   10.823 -16.2185   19.493   32.027   13.013   50.013   24.120   95.499   24.944 -45.48601 34.69818 
1 1 1  -12   25   48 o  145.835   12.569   66.029   9.7443   53.161   12.685   84.550   15.219  128.334   18.293  163.335   17.243 -35.00104 25.13860 
1 1 1  -12   25   49 o   94.030   22.335   32.119   11.180   32.119   11.180   0.0000   0.0000   94.030   22.335  ?   ?       ?      ? 
1 1 1  -12   25   50 o   41.719   13.686  -3.6395   7.3363   0.2212   11.001  -6.7312   9.8449   45.601   20.672   37.837   17.941 7.763889 27.37226 
1 1 1  -12   25   51 o   58.566   16.066   12.749   7.5970   7.2286   11.190   17.468   10.347   51.322   22.143   65.810   23.285 -14.48763 32.13253 
1 1 1  -12   26    1 o  237.945   11.188  161.211   12.107  166.491   13.936  144.955   24.452  247.316   10.428  228.574   19.797 18.74272 22.37536 
1 1 1  -12   26    2 o  116.832   18.131   46.033   9.8512   52.166   11.201   25.090   20.699  137.887   15.033   95.776   32.998 42.11058 36.26114 
1 1 1  -12   26    3 o  156.681   9.9068   67.594   8.3372   74.320   11.625   60.472   11.963  164.889   13.048  148.472   14.911 16.41628 19.81350 
1 1 1  -12   26    4 o   80.886   21.526   8.1836   10.397   30.991   24.941   3.3861   11.439  105.177   36.222   56.595   23.270 48.58178 43.05261 
1 1 1  -12   26    5 o  180.316   18.502   90.520   17.856  103.896   27.683   80.991   23.366  191.334   26.776  169.298   25.541 22.03636 37.00379 
1 1 1  -12   26    6 o  115.643   24.239   34.389   16.123   61.374   27.907   20.869   19.753  141.579   36.305   89.707   32.126 51.87260 48.47829 
1 1 1  -12   26    7 o   70.202   21.976  -4.7905   16.281  -0.7631   25.117  -7.7095   21.382   75.502   32.874   64.901   29.175 10.60012 43.95287 
1 1 1  -12   26    8 o  119.397   23.220   44.212   15.944   29.550   24.670   54.730   20.895  103.059   35.995  135.735   29.343 -32.67633 46.43968 
1 1 1  -12   26   10 o  187.233   8.7293   95.226   8.7950  108.223   12.996   84.245   11.946  198.988   12.087  175.478   12.598 23.50984 17.45852 
1 1 1  -12   26   11 o  195.587   8.8592  104.823   9.2784  123.645   13.360   87.286   12.896  212.744   11.621  178.430   13.375 34.31422 17.71843 
1 1 1  -12   26   12 o  100.716   15.017   29.466   7.9194   26.398   11.150   32.590   11.250   95.081   22.118  106.350   20.317 -11.26873 30.03338 
1 1 1  -12   26   13 o  181.495   12.727   90.279   12.482   0.0000   0.0000   90.279   12.482  ?   ?   181.495   12.727      ?      ? 
1 1 1  -12   26   14 o  195.486   8.5786  104.555   9.0374   94.416   12.575  115.385   12.997  185.604   12.538  205.368   11.711 -19.76366 17.15725 
1 1 1  -12   26   15 o  111.314   14.237   36.127   8.1911   46.574   11.523   25.456   11.646  129.654   16.447   92.973   23.243 36.68109 28.47384 
1 1 1  -12   26   16 o  212.107   8.1255  123.020   9.3099  127.406   13.342  118.858   12.997  215.801   11.441  208.413   11.541 7.387451 16.25101 
1 1 1  -12   26   17 o  240.736   7.8194  158.339   10.129  139.541   14.069  178.571   14.596  225.786   11.531  255.685   10.564 -29.89819 15.63876 
1 1 1  -12   26   18 o  402.402   10.003  441.936   21.751   0.0000   0.0000  441.936   21.751  ?   ?   402.402   10.003      ?      ? 
1 1 1  -12   26   19 o  152.685   10.073   64.486   8.2882   67.474   11.497   61.253   11.959  156.518   13.593  148.851   14.869 7.667160 20.14573 
1 1 1  -12   26   20 o   87.549   14.123   20.806   7.5932   4.4408   10.318   40.136   11.214   55.191   22.322  119.907   17.308 -64.71556 28.24574 
1 1 1  -12   26   21 o  236.575   10.936  153.371   13.980   0.0000   0.0000  153.371   13.980  ?   ?   236.575   10.936      ?      ? 
1 1 1  -12   26   22 o  170.921   9.3644   81.035   8.5899   70.317   12.140   91.780   12.156  159.304   14.103  182.538   12.324 -23.23367 18.72872 
1 1 1  -12   26   23 o  159.037   9.5722   69.959   8.2186   68.573   11.341   71.491   11.927  157.439   13.330  160.635   13.741 -3.196915 19.14437 
1 1 1  -12   26   24 o  242.407   7.4149  160.121   9.6690  172.336   14.537  150.431   12.948  250.553   10.737  234.260   10.229 16.29376 14.82970 
1 1 1  -12   26   25 o  274.937   7.1157  207.620   10.550  197.790   15.155  216.863   14.695  268.456   10.447  281.418   9.6637 -12.96161 14.23142 
1 1 1  -12   26   26 o   90.087   15.603   24.151   7.7091   32.661   11.252   16.624   10.583  105.101   20.549   75.072   23.485 30.02964 31.20609 
1 1 1  -12   26   27 o   59.885   15.877   8.1555   7.1813   3.3022   10.614   12.252   9.7522   53.527   22.249   66.244   22.657 -12.71701 31.75433 
1 1 1  -12   26   28 o   95.234   14.829   26.771   7.6861   36.869   11.244   17.913   10.531  113.474   18.337   76.995   23.310 36.47833 29.65819 
1 1 1  -12   26   29 o  134.453   11.001   51.058   7.9297   59.421   11.411   43.247   11.028  145.482   14.515  123.423   16.535 22.05926 22.00175 
1 1 1  -12   26   30 o   45.034   13.887  -5.6542   6.9949   6.3015   10.272 -15.9904   9.5515   56.615   22.484   33.453   16.307 23.16211 27.77473 
1 1 1  -12   26   31 o  113.618   12.792   36.828   7.5873   45.976   11.694   30.178   9.9707  126.634   17.090  100.601   19.039 26.03297 25.58391 
1 1 1  -12   26   32 o   77.085   16.155   18.513   7.4092   13.419   10.920   22.859   10.086   68.148   23.940   86.023   21.700 -17.87550 32.31079 
1 1 1  -12   26   33 o   89.525   15.489   24.630   7.4618   29.370   10.961   20.535   10.186   97.806   21.340   81.244   22.454 16.56174 30.97728 
1 1 1  -12   26   34 o   77.322   14.843   16.493   7.5575   33.033   11.086   2.1324   10.330  104.094   20.438   50.551   21.531 53.54357 29.68650 
1 1 1  -12   26   35 o  139.843   10.642   55.527   7.9009   70.584   11.686   42.848   10.724  157.855   13.699  121.831   16.289 36.02383 21.28385 
1 1 1  -12   26   36 o   92.835   14.403   27.452   7.2737   17.227   10.684   36.285   9.9305   73.838   23.658  111.831   16.433 -37.99269 28.80564 
1 1 1  -12   26   37 o   51.046   15.115   2.7125   7.1107   7.6467   10.569  -1.3673   9.6109   57.548   22.822   44.543   19.824 13.00478 30.22955 
1 1 1  -12   26   38 o  157.529   9.3840   70.027   7.9532   79.489   11.814   62.183   10.756  167.307   13.067  147.753   13.472 19.55405 18.76794 
1 1 1  -12   26   39 o   54.042   15.586   4.9897   7.2996   9.3853   10.673   1.1263   10.006   60.055   23.190   48.028   20.830 12.02795 31.17153 
1 1 1  -12   26   40 o  154.533   12.995   68.218   10.851   0.0000   0.0000   68.218   10.851  ?   ?   154.533   12.995      ?      ? 
1 1 1  -12   26   41 o   63.718   14.171   7.6087   7.1287   25.973   10.474  -8.2378   9.7298   89.287   21.880   38.148   18.013 51.13903 28.34117 
1 1 1  -12   26   42 o  162.389   9.3981   76.013   8.2060   86.549   11.899   66.457   11.332  173.564   12.687  151.214   13.868 22.35001 18.79612 
1 1 1  -12   26   43 o   57.834   16.817   7.6391   9.1302   14.348   11.374  -4.5180   15.310   65.564   24.243   50.103   23.313 15.46079 33.63355 
1 1 1  -12   26   44 o   56.393   18.211   0.5599   11.904  -6.3604   21.679   3.5473   14.244   57.289   27.001   55.498   24.443 1.791016 36.42145 
1 1 1  -12   26   45 o   60.312   25.299   8.6126   13.907   0.0000   0.0000   8.6126   13.907  ?   ?    60.312   25.299      ?      ? 
1 1 1  -12   26   46 o   62.416   17.376   10.675   9.1422   0.8378   12.069   23.919   14.004   48.186   21.765   76.646   27.092 -28.45979 34.75186 
1 1 1  -12   26   47 o   51.121   15.459   6.2544   7.6572   3.5265   11.443   8.4666   10.304   48.833   21.687   53.408   22.038 -4.575195 30.91891 
1 1 1  -12   26   48 o   44.310   14.246  -1.2571   7.5206   3.0103   10.894  -5.1422   10.395   48.381   21.339   40.240   18.881 8.141632 28.49293 
1 1 1  -12   26   49 o  162.653   10.181   82.804   8.8543   72.523   12.725   92.455   12.328  150.931   15.602  174.374   13.084 -23.44310 20.36206 
1 1 1  -12   27    1 f  134.117   25.172   57.611   18.609   47.140   29.623   64.437   23.917  122.674   39.403  145.559   31.335 -22.88495 50.34378 
1 1 1  -12   27    2 o  169.717   21.930   85.086   18.859   89.347   31.588   82.725   23.509  169.611   35.600  169.822   25.619 -0.2099609 43.85976 
1 1 1  -12   27    3 o  198.344   17.603  114.051   18.263  105.180   28.992  119.887   23.516  190.314   28.191  206.373   21.087 -16.05911 35.20522 
1 1 1  -12   27    4 f   87.846   20.204   17.267   9.4780   12.707   10.666   34.392   20.669   69.074   23.693  106.618   32.734 -37.54488 40.40848 
1 1 1  -12   27    5 o  295.601   10.416  238.514   16.637   0.0000   0.0000  238.514   16.637  ?   ?   295.601   10.416      ?      ? 
1 1 1  -12   27    6 o   58.158   15.910   6.5683   7.1609   8.4681   9.7009   4.2936   10.615   60.540   22.389   55.775   22.612 4.764980 31.82027 
1 1 1  -12   27    7 o  143.226   10.719   56.706   8.2833   53.327   11.730   60.066   11.698  138.868   15.632  147.584   14.669 -8.716309 21.43700 
1 1 1  -12   27    8 o   83.315   15.271   19.928   7.7585   6.5417   11.052   32.937   10.894   59.699   23.444  106.932   19.575 -47.23347 30.54181 
1 1 1  -12   27    9 o  102.518   13.975   30.370   7.5201   38.285   10.671   22.562   10.599  117.418   16.819   87.617   22.324 29.80087 27.95009 
1 1 1  -12   27   10 o   46.608   14.563  -2.5114   7.2295  -0.4211   9.6823  -5.1452   10.868   47.647   20.577   45.570   20.613 2.077148 29.12575 
1 1 1  -12   27   11 o  103.385   14.305   30.368   7.8021   22.799   10.592   39.348   11.537   88.020   22.255  118.751   17.979 -30.73045 28.60994 
1 1 1  -12   27   12 o  142.144   10.961   55.680   8.3900   62.548   12.300   49.703   11.474  150.384   15.136  133.904   15.858 16.47998 21.92138 
1 1 1  -12   27   13 o  394.699   10.329  425.675   22.031   0.0000   0.0000  425.675   22.031  ?   ?   394.699   10.329      ?      ? 
1 1 1  -12   27   14 o   72.172   15.258   13.236   7.5606   25.795   10.553  -0.0070   10.837   93.673   21.327   50.671   21.827 43.00206 30.51648 
1 1 1  -12   27   15 o  163.497   9.7881   73.813   8.6426   77.181   12.302   70.531   12.145  167.237   13.613  159.756   14.068 7.481186 19.57612 
1 1 1  -12   27   16 o  195.348   8.6272  104.933   9.1046  102.255   12.721  107.746   13.037  192.791   12.210  197.906   12.191 -5.114578 17.25433 
1 1 1  -12   27   17 o   97.244   15.755   28.286   8.1048   25.677   11.805   30.613   11.147   92.515   23.552  101.973   20.931 -9.457855 31.50908 
1 1 1  -12   27   18 o  303.024   10.150  251.511   16.619   0.0000   0.0000  251.511   16.619  ?   ?   303.024   10.150      ?      ? 
1 1 1  -12   27   19 o  136.714   11.064   52.232   8.1465   52.637   11.112   51.761   11.978  137.479   14.958  135.949   16.305 1.530304 22.12712 
1 1 1  -12   27   20 o  137.008   11.009   53.213   7.9404   66.739   11.249   39.781   11.210  155.207   13.413  118.810   17.461 36.39732 22.01749 
1 1 1  -12   27   21 o  220.826   7.8403  134.097   9.3548  131.665   13.157  136.584   13.304  218.787   11.128  222.865   11.047 -4.078079 15.68069 
1 1 1  -12   27   22 o   58.952   16.148   7.3585   7.3351   6.9371   10.281   7.7955   10.469   58.158   22.675   59.746   22.996 -1.588352 32.29549 
1 1 1  -12   27   23 o  133.272   10.819   49.802   7.7888   48.071   10.958   51.568   11.073  130.870   15.495  135.673   15.104 -4.803131 21.63861 
1 1 1  -12   27   24 o   59.365   16.104   7.6382   7.3777   11.069   10.325   4.0591   10.546   64.495   23.212   54.235   22.327 10.26025 32.20706 
1 1 1  -12   27   25 o  170.054   9.4962   80.898   8.6819   78.709   12.831   82.746   11.791  167.620   14.166  172.488   12.650 -4.867157 18.99236 
1 1 1  -12   27   26 o   67.310   16.362   12.824   7.2147   11.299   10.083   14.422   10.327   64.429   22.966   70.190   23.313 -5.761032 32.72492 
1 1 1  -12   27   27 o  211.990   8.0590  124.457   9.1966  110.523   12.795  139.348   13.227  199.498   11.869  224.482   10.905 -24.98372 16.11798 
1 1 1  -12   27   28 o  135.805   10.987   52.374   8.0268   58.898   11.534   46.245   11.178  144.318   14.790  127.293   16.251 17.02519 21.97321 
1 1 1  -12   27   29 o  134.274   10.971   51.512   7.8908   43.870   11.114   59.282   11.205  123.682   16.629  144.865   14.315 -21.18300 21.94135 
1 1 1  -12   27   30 o   74.867   15.642   16.317   7.5365   5.7956   10.580   27.156   10.739   55.912   22.607   93.822   21.625 -37.90989 31.28412 
1 1 1  -12   27   31 o  185.183   8.6190   95.767   8.6119   99.136   12.598   92.812   11.799  188.127   12.393  182.239   11.982 5.888763 17.23797 
1 1 1  -12   27   32 o  175.457   9.0545   86.888   8.5532   83.267   12.464   90.111   11.759  171.635   13.439  179.280   12.138 -7.644897 18.10898 
1 1 1  -12   27   33 o  120.043   12.141   41.844   7.8285   48.407   11.439   36.062   10.736  129.259   16.377  110.827   17.928 18.43227 24.28226 
1 1 1  -12   27   34 o   52.375   14.978   2.2754   7.2697  -7.2089   10.227   11.964   10.336   40.593   18.943   64.157   23.206 -23.56463 29.95614 
1 1 1  -12   27   35 o   41.518   13.559  -5.6213   7.1324  -7.0350   10.111  -4.2212   10.063   40.364   18.836   42.671   19.508 -2.306629 27.11764 
1 1 1  -12   27   36 o   75.125   16.280   17.719   7.5418   24.579   10.842   11.289   10.497   87.285   22.755   62.966   23.289 24.31865 32.55983 
1 1 1  -12   27   37 o   98.211   15.031   30.758   7.7719   25.336   10.973   36.215   11.009   88.165   22.847  108.257   19.538 -20.09291 30.06187 
1 1 1  -12   27   38 f   59.198   16.239   9.4017   7.4278   9.0285   10.480   9.7784   10.529   58.611   22.883   59.784   23.048 -1.172981 32.47811 
1 1 1  -12   27   39 o  121.577   13.222   44.824   8.1218   63.483   12.157   29.780   10.915  147.262   15.277   95.892   21.586 51.37052 26.44493 
1 1 1  -12   27   40 o   44.928   14.335  -3.6194   7.7089   4.2193   10.894 -11.4814   10.910   51.756   22.079   38.101   18.290 13.65411 28.67072 
1 1 1  -12   27   41 o   53.816   17.886  -5.9894   9.9860   12.232   22.754 -10.3362   11.114   68.560   30.508   39.073   18.677 29.48696 35.77130 
1 1 1  -12   27   42 f   57.690   26.944  -4.0180   20.760  -4.0180   20.760   0.0000   0.0000   57.690   26.944  ?   ?       ?      ? 
1 1 1  -12   27   43 o   53.582   17.724  -5.1165   12.589 -12.7815   21.360  -1.0367   15.583   53.768   25.753   53.396   24.359 0.3722076 35.44809 
1 1 1  -12   27   44 o   69.056   18.196   18.380   9.7713   9.0563   14.505   26.126   13.221   57.853   25.085   80.259   26.365 -22.40577 36.39190 
1 1 1  -12   27   45 o   52.661   15.323   6.6681   7.5736  -1.6602   11.117   13.881   10.346   43.799   20.200   61.522   23.047 -17.72267 30.64659 
1 1 1  -12   27   46 o   60.648   16.234   12.291   7.5637   7.0081   10.633   17.703   10.762   52.631   22.101   68.665   23.786 -16.03395 32.46885 
1 1 1  -12   27   47 o   39.429   13.271  -6.4725   7.7900  -9.3703   11.008  -3.5654   11.026   37.477   18.087   41.382   19.426 -3.904938 26.54266 
1 1 1  -12   28    1 o  138.114   19.852   53.953   10.808   62.297   27.665   52.450   11.742  138.892   36.415  137.336   15.822 1.556274 39.70382 
1 1 1  -12   28    2 f   69.284   20.854   3.0529   9.9478   14.595   26.274   1.1215   10.748   86.862   35.438   51.706   21.991 35.15598 41.70715 
1 1 1  -12   28    3 o  178.293   14.064   99.646   10.676  107.884   12.212   72.928   21.992  198.320   11.395  158.266   25.716 40.05371 28.12719 
1 1 1  -12   28    4 o  189.325   13.286  102.573   11.321  104.090   12.930   97.590   23.433  194.546   12.300  184.105   23.555 10.44106 26.57286 
1 1 1  -12   28    5 o  147.714   10.360   60.873   8.1887   64.068   11.036   56.960   12.214  152.357   13.405  143.072   15.799 9.285416 20.71959 
1 1 1  -12   28    6 o  120.471   11.717   40.570   7.5644   47.363   10.870   34.193   10.533  130.523   15.412  110.418   17.653 20.10525 23.43434 
1 1 1  -12   28    7 o   61.554   16.318   8.6431   7.3463   7.1404   10.126   10.313   10.674   58.627   22.602   64.482   23.543 -5.855732 32.63635 
1 1 1  -12   28    8 o   54.241   15.784   3.5600   7.4576   2.6748   10.533   4.4498   10.560   53.046   22.116   55.436   22.525 -2.390530 31.56734 
1 1 1  -12   28    9 o   72.535   15.014   13.097   7.5265  -0.9083   10.598   27.346   10.690   48.896   21.320   96.173   21.146 -47.27705 30.02873 
1 1 1  -12   28   10 o  199.791   8.5267  109.991   9.1988  105.870   13.062  114.046   12.957  195.989   12.334  203.593   11.777 -7.604141 17.05347 
1 1 1  -12   28   11 o  177.430   12.723   86.912   12.198   0.0000   0.0000   86.912   12.198  ?   ?   177.430   12.723      ?      ? 
1 1 1  -12   28   12 o  344.131   10.193  324.514   18.955   0.0000   0.0000  324.514   18.955  ?   ?   344.131   10.193      ?      ? 
1 1 1  -12   28   13 o   55.293   15.706   4.0440   7.4818   9.3693   10.299  -1.9068   10.887   62.212   23.056   48.373   21.334 13.83807 31.41214 
1 1 1  -12   28   14 o  128.529   11.834   46.387   8.2159   45.812   11.437   47.000   11.810  127.755   16.567  129.302   16.903 -1.546326 23.66799 
1 1 1  -12   28   15 o  182.769   8.9132   92.243   8.7986   96.071   12.656   88.661   12.241  186.450   12.561  179.088   12.649 7.362244 17.82643 
1 1 1  -12   28   16 o  128.950   12.852   48.070   8.4740   61.848   12.183   35.158   11.794  148.783   15.154  109.117   20.762 39.66606 25.70375 
1 1 1  -12   28   17 o   96.856   15.563   28.106   7.9388   27.359   10.780   28.992   11.736   95.650   21.392   98.062   22.610 -2.412224 31.12580 
1 1 1  -12   28   18 o  136.695   11.566   52.727   8.4151   41.737   11.638   64.765   12.182  121.238   17.765  152.152   14.816 -30.91384 23.13277 
1 1 1  -12   28   19 o  179.881   8.9665   89.759   8.7121   86.892   12.125   92.818   12.526  176.913   12.684  182.849   12.677 -5.935913 17.93291 
1 1 1  -12   28   20 o   42.518   13.761  -5.9942   7.2076  -2.3206   9.8471 -10.2336   10.578   45.107   20.071   39.928   18.832 5.179840 27.52241 
1 1 1  -12   28   21 o  200.195   11.798  111.078   12.763   0.0000   0.0000  111.078   12.763  ?   ?   200.195   11.798      ?      ? 
1 1 1  -12   28   22 o  135.932   11.092   52.242   8.1455   53.909   11.587   50.614   11.454  138.139   15.522  133.726   15.850 4.413055 22.18483 
1 1 1  -12   28   23 o   80.977   16.165   20.145   7.3806   19.309   10.262   21.041   10.623   79.332   22.755   82.621   22.966 -3.289009 32.32979 
1 1 1  -12   28   24 o  179.300   13.096   90.008   12.688   0.0000   0.0000   90.008   12.688  ?   ?   179.300   13.096      ?      ? 
1 1 1  -12   28   25 o  105.891   14.995   34.218   8.2785   32.462   11.772   35.935   11.644  102.771   21.870  109.010   20.520 -6.239029 29.98937 
1 1 1  -12   28   26 o  174.062   9.1776   85.002   8.6209   83.594   12.447   86.302   11.952  172.489   13.354  175.634   12.593 -3.144897 18.35519 
1 1 1  -12   28   27 o   52.011   15.476   2.9274   7.3853   4.3087   10.857   1.7379   10.075   54.335   22.537   49.686   21.216 4.648045 30.95167 
1 1 1  -12   28   28 o   68.983   16.299   13.858   7.3827   19.534   10.625   8.5595   10.265   78.748   23.319   59.218   22.778 19.52939 32.59756 
1 1 1  -12   28   29 o  248.937   7.6252  172.916   10.223  158.176   14.531  187.361   14.385  238.051   11.296  259.823   10.245 -21.77200 15.25050 
1 1 1  -12   28   30 o  131.331   15.926   49.814   11.302   0.0000   0.0000   49.814   11.302  ?   ?   131.331   15.926      ?      ? 
1 1 1  -12   28   31 o   77.765   16.553   19.437   7.5394   20.977   10.719   17.929   10.607   80.642   23.293   74.887   23.525 5.754776 33.10574 
1 1 1  -12   28   32 o  131.359   11.217   50.147   7.9568   49.054   11.361   51.200   11.147  129.754   16.204  132.965   15.514 -3.210907 22.43352 
1 1 1  -12   28   33 o  107.442   13.977   35.073   7.9354   38.975   11.579   31.618   10.897  114.288   18.749  100.596   20.735 13.69144 27.95501 
1 1 1  -12   28   34 o   54.715   15.617   5.0095   7.5594  -2.1595   10.971   11.491   10.431   46.411   20.877   63.019   23.233 -16.60801 31.23489 
1 1 1  -12   28   35 o   53.755   15.569   5.0404   7.4673  -0.3160   10.793   9.9583   10.342   47.530   21.087   59.980   22.912 -12.45013 31.13883 
1 1 1  -12   28   36 o   50.185   15.198   2.0942   7.4926   6.5771   10.726  -2.1775   10.471   55.395   22.627   44.975   20.298 10.41953 30.39688 
1 1 1  -12   28   37 o  117.711   12.750   42.131   8.1078   41.585   11.534   42.665   11.399  116.775   18.279  118.646   17.780 -1.870773 25.50014 
1 1 1  -12   28   38 o   50.320   15.286   2.1090   7.7334  -4.1054   10.622   9.1193   11.281   42.666   19.701   57.973   23.378 -15.30713 30.57193 
1 1 1  -12   28   39 o  133.763   19.292   76.364   11.701   43.964   24.793   85.649   13.272   96.886   35.799  170.640   14.394 -73.75433 38.58465 
1 1 1  -12   28   40 o   96.097   22.316   30.967   13.327   61.959   23.808   16.824   16.083  121.174   34.630   71.020   28.156 50.15346 44.63185 
1 1 1  -12   28   41 o   55.354   26.330  -8.5608   21.531  -8.5608   21.531   0.0000   0.0000   55.354   26.330  ?   ?       ?      ? 
1 1 1  -12   28   42 o   41.388   14.195 -10.7562   9.4023  -8.7725   11.464 -14.8333   16.435   39.216   18.805   43.560   21.268 -4.343227 28.38902 
1 1 1  -12   28   43 f   39.685   13.437  -8.5251   8.0646 -12.9752   13.323  -5.9516   10.132   40.361   19.579   39.008   18.408 1.352890 26.87358 
1 1 1  -12   28   44 o   54.505   16.075   8.0177   8.0238   3.8707   11.434   12.041   11.263   49.672   21.887   59.337   23.550 -9.665424 32.15044 
1 1 1  -12   28   45 o   55.202   15.370   7.6169   7.8506  -5.4404   11.154   20.436   11.052   40.171   19.062   70.232   24.117 -30.06179 30.74036 
1 1 1  -12   29    1 o  252.648   6.9767  174.999   8.9502  174.662   15.572  175.165   10.937  251.855   11.442  253.441   7.9864 -1.586273 13.95338 
1 1 1  -12   29    2 o  160.537   19.446   78.497   11.235   77.432   29.730   78.674   12.135  152.607   36.536  168.466   13.330 -15.85855 38.89223 
1 1 1  -12   29    3 o   86.987   22.906   11.440   10.449   43.919   29.386   6.7393   11.180  114.583   39.326   59.392   23.497 55.19064 45.81157 
1 1 1  -12   29    4 o  191.302   13.276  108.981   11.252  113.450   12.879   94.572   23.127  202.864   11.749  179.740   23.812 23.12387 26.55229 
1 1 1  -12   29    5 o   53.224   17.303  -4.3503   9.3797  -2.2489   10.428 -13.2568   21.468   46.868   20.764   59.580   27.684 -12.71214 34.60511 
1 1 1  -12   29    6 o   80.895   16.374   19.693   7.6127   23.054   10.565   16.064   10.978   87.555   22.277   74.236   24.003 13.31860 32.74767 
1 1 1  -12   29    7 o  117.180   13.123   41.074   7.6766   55.917   10.776   25.778   10.939  141.758   14.067   92.602   22.157 49.15524 26.24568 
1 1 1  -12   29    9 o   61.553   15.877   6.9580   7.3853  -0.7428   9.7838   17.157   11.260   46.927   20.472   76.179   24.275 -29.25235 31.75495 
1 1 1  -12   29   10 o  197.078   12.580  107.601   13.396   0.0000   0.0000  107.601   13.396  ?   ?   197.078   12.580      ?      ? 
1 1 1  -12   29   11 o  227.057   8.0048  142.285   9.8118  150.170   13.933  134.528   13.819  233.411   11.047  220.702   11.588 12.70915 16.00957 
1 1 1  -12   29   12 o   42.410   13.745  -5.9260   7.1678  -3.2194   9.6220  -9.3008   10.744   43.714   19.617   41.106   19.258 2.608250 27.49000 
1 1 1  -12   29   13 o   60.738   16.482   8.3645   7.6151   6.7665   10.692   10.009   10.848   58.182   22.992   63.294   23.622 -5.111359 32.96406 
1 1 1  -12   29   14 o   80.423   14.965   17.923   7.6510   3.7905   10.456   34.210   11.225   53.611   22.167  107.235   20.110 -53.62388 29.92961 
1 1 1  -12   29   15 o  134.103   15.815   50.840   11.460   0.0000   0.0000   50.840   11.460  ?   ?   134.103   15.815      ?      ? 
1 1 1  -12   29   17 o   55.820   16.110   4.9084   7.6463   3.7448   10.265   6.3590   11.461   53.064   21.953   58.575   23.584 -5.511475 32.22000 
1 1 1  -12   29   18 o  138.775   10.987   54.669   8.2165   51.399   11.788   57.759   11.459  134.440   16.226  143.110   14.818 -8.669388 21.97395 
1 1 1  -12   29   19 o   84.405   16.213   21.991   7.7585   16.134   10.835   28.154   11.115   73.094   23.860   95.716   21.956 -22.62199 32.42502 
1 1 1  -12   29   20 o   64.330   16.140   10.495   7.5487   2.9697   10.744   17.831   10.608   52.621   22.163   76.038   23.468 -23.41726 32.27925 
1 1 1  -12   29   21 o   63.520   16.626   10.523   7.6310   13.399   10.962   7.8178   10.630   68.119   23.981   58.922   23.034 9.196651 33.25130 
1 1 1  -12   29   22 o  114.592   13.281   38.757   8.0335   40.038   11.167   37.383   11.566  117.714   17.555  111.471   19.933 6.242958 26.56152 
1 1 1  -12   29   23 o   62.591   15.063   8.7830   7.3650   20.237   9.9850  -4.8842   10.907   80.610   22.212   44.572   20.351 36.03827 30.12538 
1 1 1  -12   29   25 o   68.569   17.037   13.954   7.8213   15.321   11.378   12.729   10.769   70.909   24.463   66.229   23.721 4.680435 34.07465 
1 1 1  -12   29   26 o   51.073   15.268   2.8964   7.2593   1.9726   10.159   3.8604   10.377   49.706   21.266   52.440   21.915 -2.734402 30.53679 
1 1 1  -12   29   27 o   49.567   14.750  -0.8970   7.3510   9.8915   10.737 -10.4170   10.086   61.257   23.358   37.876   18.018 23.38062 29.49961 
1 1 1  -12   29   28 o  125.381   11.629   45.815   7.8757   47.504   11.315   44.228   10.968  127.643   16.405  123.118   16.487 4.524559 23.25828 
1 1 1  -12   29   29 o   63.654   13.620   0.9797   7.6269   29.318   11.311 -22.6490   10.328   95.758   22.278   31.550   15.674 64.20816 27.23978 
1 1 1  -12   29   30 o   74.522   16.263   17.434   7.4751   23.827   10.749   11.449   10.402   85.900   22.784   63.144   23.212 22.75596 32.52608 
1 1 1  -12   29   31 f   52.780   15.446   3.8791   7.4499   9.2054   10.478  -1.5662   10.594   59.379   22.964   46.180   20.664 13.19856 30.89219 
1 1 1  -12   29   32 o   78.912   17.051   20.868   7.9573   19.650   11.347   22.047   11.162   76.656   24.362   81.168   23.864 -4.512154 34.10267 
1 1 1  -12   29   33 o  126.800   13.215   49.580   8.5536   62.837   12.205   36.782   11.991  146.503   15.417  107.096   21.468 39.40682 26.43027 
1 1 1  -12   29   34 o  124.398   12.552   46.628   8.3938   40.753   11.560   53.180   12.208  115.555   18.513  133.240   16.956 -17.68481 25.10434 
1 1 1  -12   29   35 f  181.546   12.617   95.294   12.377   0.0000   0.0000   95.294   12.377  ?   ?   181.546   12.617      ?      ? 
1 1 1  -12   29   36 o   88.488   16.138   27.894   8.2927   16.613   12.253   37.429   11.264   69.395   25.241  107.582   20.116 -38.18692 32.27690 
1 1 1  -12   29   37 o   74.668   20.612   20.073   12.148   14.489   20.623   23.041   15.033   70.363   30.207   78.973   28.053 -8.609215 41.22400 
1 1 1  -12   29   38 o  114.750   19.993   52.225   12.806   37.703   21.853   59.820   15.804   93.223   33.739  136.277   21.461 -43.05385 39.98663 
1 1 1  -12   29   39 o  102.160   21.781   43.246   12.983   60.923   20.954   32.230   16.541  117.916   32.047   86.403   29.507 31.51299 43.56285 
1 1 1  -12   29   40 o   36.906   12.883 -18.7208   9.3274 -11.4803   11.520 -32.5000   15.892   37.528   18.205   36.284   18.234 1.244480 25.76616 
1 1 1  -12   29   41 o   69.173   18.790   19.098   10.040   21.522   12.286   14.225   17.420   74.112   25.428   64.233   27.671 9.878677 37.58059 
1 1 1  -12   29   42 o   66.616   17.705   16.486   8.7753   26.419   13.750   9.6605   11.399   77.869   26.891   55.363   23.038 22.50608 35.40976 
1 1 1  -12   29   43 o  117.006   14.416   49.749   8.5026   30.668   12.020   68.860   12.029   86.429   24.573  147.583   15.084 -61.15398 28.83298 
1 1 1  -12   30    1 o  133.110   10.648   52.076   7.2096   41.914   11.633   58.413   9.1866  121.030   17.787  145.191   11.709 -24.16096 21.29541 
1 1 1  -12   30    2 o  111.799   13.940   37.885   7.9678   25.608   11.432   49.482   11.111   91.215   23.153  132.383   15.533 -41.16711 27.88069 
1 1 1  -12   30    3 o  146.927   20.049   72.808   11.590   59.662   27.688   75.601   12.762  129.723   37.427  164.131   14.389 -34.40829 40.09772 
1 1 1  -12   30    4 o  124.486   18.585   66.850   11.916   8.4189   26.945   81.055   13.285   79.067   34.237  169.905   14.470 -90.83765 37.16948 
1 1 1  -12   30    5 o   69.836   20.122   9.2063   9.4518   8.4147   10.328   13.286   23.447   59.954   22.898   79.718   33.096 -19.76404 40.24501 
1 1 1  -12   30    6 o  123.898   17.996   59.103   10.326   69.519   11.804   25.158   21.309  157.570   13.864   90.227   33.215 67.34280 35.99215 
1 1 1  -12   30    7 o   68.086   15.928   12.678   7.3557   20.164   10.287   4.8481   10.521   81.150   22.616   55.022   22.434 26.12815 31.85539 
1 1 1  -12   30    8 o   96.405   14.776   27.088   7.6957   18.334   10.263   38.331   11.631   77.514   22.909  115.296   18.669 -37.78157 29.55289 
1 1 1  -12   30    9 o  138.335   10.750   54.190   7.9649   55.280   10.659   52.812   11.985  140.350   14.055  136.320   16.270 4.030457 21.50034 
1 1 1  -12   30   10 o  162.434   13.726   73.978   12.048   0.0000   0.0000   73.978   12.048  ?   ?   162.434   13.726      ?      ? 
1 1 1  -12   30   11 o   70.334   16.715   14.412   7.4600   12.830   9.9136   16.477   11.327   66.721   22.843   73.947   24.409 -7.225754 33.43042 
1 1 1  -12   30   12 o   52.889   15.203   3.2099   6.9810  -1.6427   9.3018   9.4679   10.563   44.260   19.610   61.517   23.238 -17.25697 30.40599 
1 1 1  -12   30   13 o  139.650   10.876   55.496   8.1912   58.270   11.461   52.599   11.711  143.485   14.782  135.815   15.958 7.669952 21.75199 
1 1 1  -12   30   14 o   88.713   15.709   23.862   7.6685   16.622   10.306   32.844   11.478   73.682   23.196  103.744   21.191 -30.06243 31.41852 
1 1 1  -12   30   15 f  136.700   11.473   53.387   8.4514   52.613   11.501   54.295   12.460  135.883   15.664  137.518   16.768 -1.635345 22.94613 
1 1 1  -12   30   16 o  143.897   11.023   58.994   8.5584   58.918   11.789   59.078   12.445  144.007   15.149  143.788   16.017 0.2192078 22.04626 
1 1 1  -12   30   17 o  152.872   14.977   66.380   12.372   0.0000   0.0000   66.380   12.372  ?   ?   152.872   14.977      ?      ? 
1 1 1  -12   30   18 o  101.680   14.211   30.910   7.7051   15.937   10.360   49.442   11.526   72.120   23.317  131.241   16.253 -59.12103 28.42245 
1 1 1  -12   30   19 f  134.680   11.272   52.114   8.1956   53.428   11.449   50.733   11.737  136.636   15.506  132.723   16.366 3.913025 22.54496 
1 1 1  -12   30   20 o  121.749   17.636   43.235   11.603   0.0000   0.0000   43.235   11.603  ?   ?   121.749   17.636      ?      ? 
1 1 1  -12   30   21 o  114.992   12.661   38.615   7.8495   36.744   10.668   40.824   11.591  112.113   17.609  117.870   18.198 -5.756882 25.32298 
1 1 1  -12   30   22 o   93.787   14.959   26.894   7.7755   16.435   10.577   39.190   11.469   72.370   23.572  115.205   18.424 -42.83508 29.91772 
1 1 1  -12   30   23 o   98.092   14.851   31.455   8.2300   13.173   11.862   48.422   11.428   67.146   24.772  129.037   16.389 -61.89066 29.70292 
1 1 1  -12   30   24 o   56.200   16.186   6.3308   7.7399   7.1837   10.994   5.4926   10.898   57.394   23.101   55.006   22.676 2.388229 32.37106 
1 1 1  -12   30   25 o   54.273   15.141   3.6717   7.4830   13.724   10.211  -7.9894   10.998   66.919   23.170   41.628   19.497 25.29045 30.28135 
1 1 1  -12   30   26 o   92.765   15.867   27.873   8.0085   20.871   11.414   34.663   11.240   79.884   24.286  105.647   20.427 -25.76368 31.73462 
1 1 1  -12   30   27 f   88.428   16.031   25.532   7.9035   32.418   11.093   18.432   11.264  101.581   20.906   75.274   24.310 26.30669 32.06279 
1 1 1  -12   30   28 o  162.274   13.926   75.778   12.212   0.0000   0.0000   75.778   12.212  ?   ?   162.274   13.926      ?      ? 
1 1 1  -12   30   29 o   78.596   16.859   20.455   7.8810   16.247   10.836   25.181   11.483   70.566   23.883   86.626   23.800 -16.06054 33.71703 
1 1 1  -12   30   30 o  156.973   10.214   71.513   8.6632   70.672   12.195   72.370   12.309  156.026   14.465  157.921   14.424 -1.894836 20.42737 
1 1 1  -12   30   31 o   73.408   16.392   16.525   8.0879   29.386   11.987   5.7774   10.958   92.760   23.798   54.056   22.549 38.70336 32.78413 
1 1 1  -12   30   32 o  119.900   12.955   44.674   8.3867   43.311   11.935   46.005   11.787  117.709   18.764  122.090   17.867 -4.381241 25.90980 
1 1 1  -12   30   33 o   41.897   13.785  -6.2863   7.6618 -11.1296   10.711  -1.2106   10.965   37.794   18.137   46.000   20.765 -8.206043 27.57057 
1 1 1  -12   30   34 o   59.194   16.291   2.6116   10.611 -52.0270   20.897   21.595   12.318   40.350   20.358   78.038   25.439 -37.68787 32.58147 
1 1 1  -12   30   35 o   69.235   20.438   6.5982   12.728   33.964   22.207  -6.7883   15.532   88.997   33.675   49.473   23.171 39.52400 40.87622 
1 1 1  -12   30   36 o   71.545   20.814   19.639   12.836   19.185   20.690   19.923   16.367   71.227   30.407   71.862   28.431 -0.6353226 41.62846 
1 1 1  -12   30   37 o   60.142   17.652   13.238   9.3269   14.314   11.411   11.072   16.189   61.461   23.910   58.822   25.975 2.639355 35.30423 
1 1 1  -12   30   38 o   63.941   14.955   9.3949   8.1970   29.641   11.484 -11.6347   11.704   89.503   23.459   38.378   18.553 51.12516 29.90908 
1 1 1  -12   30   39 o   62.277   18.239   12.645   9.4605   9.3047   11.475   19.734   16.717   55.849   23.167   68.705   28.176 -12.85592 36.47746 
1 1 1  -12   30   40 o   79.337   18.694   28.753   9.5790   30.261   11.665   25.631   16.786   87.011   24.020   71.663   28.651 15.34858 37.38786 
1 1 1  -12   31    1 o  134.589   10.153   52.365   7.0434   46.757   11.461   55.769   8.9286  127.656   16.615  141.522   11.675 -13.86630 20.30655 
1 1 1  -12   31    2 o   38.066   12.411  -5.2783   5.9231  -6.8536   8.8886  -4.0201   7.9439   37.997   17.708   38.135   17.395 -0.1379623 24.82248 
1 1 1  -12   31    3 o   73.067   15.868   15.621   7.0194   10.507   9.3553   22.208   10.618   61.783   22.111   84.351   22.766 -22.56809 31.73615 
1 1 1  -12   31    4 o   60.288   19.585  -4.6949   10.395   8.7703   26.243  -7.2008   11.321   76.950   33.551   43.627   20.213 33.32254 39.16906 
1 1 1  -12   31    5 o  150.623   17.022   53.289   10.918  100.856   27.828   44.635   11.870  177.026   29.091  124.220   17.683 52.80593 34.04411 
1 1 1  -12   31    6 o  139.230   16.224   52.129   9.7371   47.143   10.835   73.063   22.202  128.592   15.593  149.867   28.456 -21.27539 32.44783 
1 1 1  -12   31    7 o   63.895   18.161   9.5530   8.7643   12.804   9.4949  -9.1667   22.783   66.060   22.357   61.730   28.626 4.330170 36.32176 
1 1 1  -12   31    8 f   47.514   14.408   0.1937   6.9204   5.1648   9.1062  -6.6024   10.647   52.504   21.063   42.524   19.666 9.980762 28.81673 
1 1 1  -12   31    9 o   82.394   14.197   20.027   7.8352   37.321   10.835   1.0692   11.344  113.450   17.674   51.338   22.222 62.11208 28.39336 
1 1 1  -12   31   10 o  142.146   15.687   57.804   12.049   0.0000   0.0000   57.804   12.049  ?   ?   142.146   15.687      ?      ? 
1 1 1  -12   31   11 o   88.324   15.583   24.345   7.4003   23.549   10.122   25.260   10.847   86.942   21.633   89.707   22.434 -2.764778 31.16512 
1 1 1  -12   31   12 o  137.519   16.047   54.383   11.925   0.0000   0.0000   54.383   11.925  ?   ?   137.519   16.047      ?      ? 
1 1 1  -12   31   13 o   46.881   14.548  -1.9359   7.1694  -6.7990   9.4968   4.5082   10.932   39.396   18.341   54.366   22.587 -14.96929 29.09592 
1 1 1  -12   31   14 o   63.154   16.167   10.898   7.3162   15.220   10.198   6.3134   10.502   70.298   23.158   56.011   22.567 14.28757 32.33472 
1 1 1  -12   31   15 o   84.376   14.002   19.501   7.9596  -0.0874   10.853   42.297   11.708   48.745   21.406  120.008   18.055 -71.26236 28.00351 
1 1 1  -12   31   16 o  168.948   13.733   81.099   12.538   0.0000   0.0000   81.099   12.538  ?   ?   168.948   13.733      ?      ? 
1 1 1  -12   31   17 o  114.816   13.782   41.055   8.0303   53.378   11.193   27.984   11.528  136.200   15.208   93.433   22.989 42.76711 27.56440 
1 1 1  -12   31   18 o   88.433   14.863   24.698   8.0286   40.274   11.271   8.6555   11.439  116.810   17.857   60.055   23.765 56.75552 29.72631 
1 1 1  -12   31   19 o   45.480   14.468  -3.0181   7.4970  -6.5229   10.245   1.0231   11.001   41.104   19.107   49.857   21.730 -8.752327 28.93605 
1 1 1  -12   31   20 o   61.003   16.517   9.3004   7.6628   5.7206   10.247   13.842   11.542   54.291   22.139   67.715   24.518 -13.42427 33.03400 
1 1 1  -12   31   21 o  140.196   11.222   56.492   8.3995   45.680   11.342   69.622   12.499  124.894   16.806  155.498   14.875 -30.60435 22.44382 
1 1 1  -12   31   22 o   65.482   15.035   8.3698   7.9064   26.197   11.231  -9.1425   11.132   89.910   23.019   41.054   19.349 48.85592 30.07078 
1 1 1  -12   31   23 f   99.820   15.676   32.139   8.2646   36.931   11.651   27.286   11.725  108.597   20.608   91.043   23.628 17.55453 31.35252 
1 1 1  -12   31   24 o   64.744   15.439   9.9053   7.8845   24.132   10.988  -5.1954   11.320   85.355   23.210   44.133   20.364 41.22203 30.87743 
1 1 1  -12   31   25 f  101.096   15.443   33.644   8.6817   17.629   12.186   50.149   12.371   72.888   25.307  129.304   17.706 -56.41627 30.88610 
1 1 1  -12   31   26 o  119.302   13.933   44.329   8.6333   53.136   12.307   35.797   12.114  133.506   17.060  105.099   22.035 28.40687 27.86677 
1 1 1  -12   31   27 o   76.198   17.595   19.807   8.3871   23.439   12.183   16.535   11.564   82.010   25.123   70.387   24.640 11.62226 35.18943 
1 1 1  -12   31   28 o  135.316   12.226   55.914   8.9224   51.867   12.523   60.086   12.715  129.829   17.851  140.803   16.712 -10.97368 24.45277 
1 1 1  -12   31   29 o   67.012   16.754   13.442   8.3167   24.634   12.148   3.5671   11.410   82.635   25.040   51.388   22.265 31.24771 33.50721 
1 1 1  -12   31   30 o   56.026   15.489   3.7135   7.9923  -9.9367   11.129   18.250   11.485   39.543   18.843   72.509   24.588 -32.96578 30.97804 
1 1 1  -12   31   31 o   60.090   18.744  -0.8430   10.370   22.545   21.026  -8.3599   11.920   77.855   31.726   42.325   19.971 35.53024 37.48828 
1 1 1  -12   31   32 o   79.801   21.973   22.238   13.349   37.658   22.237   13.550   16.691   92.416   33.944   67.185   27.911 25.23043 43.94587 
1 1 1  -12   31   33 o   59.019   19.004   5.7442   13.114   3.6216   21.620   6.9797   16.495   59.721   27.760   58.317   25.961 1.404053 38.00765 
1 1 1  -12   31   34 o   57.147   17.431   9.4248   9.3397   5.9983   11.520   15.995   15.953   51.101   22.256   63.194   26.832 -12.09344 34.86142 
1 1 1  -12   31   35 o   64.856   15.439   11.291   8.2761   29.206   11.651  -6.9565   11.758   88.343   23.850   41.369   19.613 46.97417 30.87862 
1 1 1  -12   31   36 o   65.739   15.225   12.471   8.0840   29.488   11.277  -5.5179   11.595   89.471   23.149   42.008   19.783 47.46323 30.45064 
1 1 1  -12   31   37 o   47.982   15.125   3.4069   8.0509   6.5362   10.971  -0.2453   11.852   50.723   21.905   45.241   20.862 5.482475 30.24954 
1 1 1  -12   32    1 o   87.027   14.094   22.546   6.5172   31.712   10.150   16.116   8.5009  102.109   19.098   71.944   20.733 30.16512 28.18828 
1 1 1  -12   32    2 o   76.509   15.439   18.058   6.4642   19.822   11.046   17.140   7.9718   78.560   23.893   74.458   19.560 4.102509 30.87866 
1 1 1  -12   32    3 o   71.400   15.456   13.907   6.4500   23.896   11.098   8.8132   7.9258   86.224   23.277   56.575   20.340 29.64907 30.91206 
1 1 1  -12   32    4 o  103.369   14.356   32.983   7.7256   34.097   10.742   31.788   11.120  105.687   19.528  101.051   21.047 4.636147 28.71116 
1 1 1  -12   32    5 o   70.132   21.490  -1.6337   10.013   37.770   29.320  -6.8362   10.654   98.326   38.306   41.939   19.492 56.38678 42.97963 
1 1 1  -12   32    6 o  116.437   20.528   49.736   11.005   38.761   27.526   51.824   12.007   99.463   37.526  133.411   16.655 -33.94821 41.05603 
1 1 1  -12   32    7 o   40.683   13.830 -13.4595   8.6032  -4.2126   9.4567 -57.8604   20.722   41.411   18.924   39.955   20.172 1.455566 27.65934 
1 1 1  -12   32    8 o  140.460   17.543   65.871   10.630   68.542   12.177   57.320   21.788  154.649   14.571  126.271   31.917 28.37785 35.08548 
1 1 1  -12   32    9 o   92.836   15.946   27.534   7.9106   26.441   10.871   28.764   11.534   90.998   22.285   94.674   22.814 -3.675728 31.89161 
1 1 1  -12   32   10 f   62.845   16.527   10.985   7.4612   9.5947   9.9944   12.735   11.214   59.825   22.602   65.865   24.118 -6.040142 33.05368 
1 1 1  -12   32   11 o  117.378   13.589   42.417   8.0091   60.658   11.614   25.876   11.059  145.185   14.804   89.572   22.793 55.61300 27.17863 
1 1 1  -12   32   12 o   44.012   13.983  -3.2562   7.1452   1.7411   9.7619  -9.0233   10.487   48.320   20.764   39.703   18.733 8.616283 27.96556 
1 1 1  -12   32   13 o   44.877   14.209  -3.3170   7.3844   2.7512   10.099 -10.2878   10.825   50.181   21.329   39.574   18.779 10.60732 28.41791 
1 1 1  -12   32   14 o  114.538   14.446   41.122   8.4447   22.108   11.599   62.569   12.319   82.061   24.379  147.015   15.507 -64.95409 28.89248 
1 1 1  -12   32   15 o  169.350   10.209   83.135   9.1656  100.400   12.944   65.772   12.980  188.284   12.722  150.415   15.970 37.86893 20.41810 
1 1 1  -12   32   16 o   87.587   16.818   24.614   8.2244   19.289   10.982   31.413   12.410   77.000   23.897   98.173   23.670 -21.17216 33.63538 
1 1 1  -12   32   17 o   99.840   15.259   32.124   8.1804   39.757   11.262   23.599   11.902  115.514   18.043   84.166   24.612 31.34816 30.51745 
1 1 1  -12   32   18 o   65.126   17.090   11.846   8.0684   7.4486   10.652   17.764   12.357   56.750   22.776   73.503   25.486 -16.75346 34.18002 
1 1 1  -12   32   19 o   43.762   14.208  -5.2998   7.8557  -0.1015   10.512 -11.8741   11.822   47.189   20.880   40.335   19.276 6.853783 28.41675 
1 1 1  -12   32   20 f  144.641   11.194   61.255   8.7060   53.526   11.956   69.980   12.702  134.498   16.450  154.784   15.187 -20.28595 22.38868 
1 1 1  -12   32   21 o   47.145   14.819  -1.3135   7.7017  -5.9129   10.732   3.5696   11.059   42.201   19.597   52.089   22.234 -9.887726 29.63749 
1 1 1  -12   32   22 o   44.001   14.337  -4.6286   7.9013  -5.6342   11.279  -3.6595   11.072   43.387   20.127   44.615   20.422 -1.227524 28.67320 
1 1 1  -12   32   23 o   63.690   16.407   11.941   7.8703   19.657   11.071   4.0569   11.191   75.330   24.077   52.049   22.295 23.28143 32.81442 
1 1 1  -12   32   24 f   51.322   15.602   3.4329   7.8819  -0.2387   10.882   7.4847   11.432   46.650   20.903   55.994   23.167 -9.344147 31.20312 
1 1 1  -12   32   25 o  130.722   12.857   52.932   9.0758   51.475   12.909   54.356   12.763  128.574   18.580  132.869   17.776 -4.295227 25.71376 
1 1 1  -12   32   26 o   48.984   15.257  -3.0853   8.4249 -14.1024   11.475   9.7991   12.409   37.726   18.270   60.241   24.439 -22.51576 30.51309 
1 1 1  -12   32   27 o  193.755   9.5146  108.781   9.9023  124.630   14.297   94.167   13.728  208.015   12.719  179.494   14.154 28.52092 19.02926 
1 1 1  -12   32   28 o   44.948   15.382 -12.4860   10.142 -20.6892   20.167  -9.7089   11.734   48.931   23.817   40.964   19.472 7.966560 30.76357 
1 1 1  -12   32   29 o   60.408   18.671   1.6028   13.549 -28.7162   21.497   21.588   17.453   46.669   23.084   74.147   29.351 -27.47776 37.34107 
1 1 1  -12   32   30 o   59.858   19.359   5.7685   13.849   24.414   21.995  -6.4797   17.827   70.589   30.748   49.126   23.529 21.46314 38.71767 
1 1 1  -12   32   31 o   59.571   19.111   9.8443   13.512   3.8671   20.650   14.320   17.869   56.671   26.598   62.470   27.449 -5.799587 38.22139 
1 1 1  -12   32   32 o   51.897   15.643   5.3445   8.0185   10.352   10.795  -0.8190   11.976   57.331   22.956   46.463   21.257 10.86782 31.28665 
1 1 1  -12   32   33 o   96.638   19.041   36.047   9.8145   30.648   11.913   47.455   17.316   89.411   24.107  103.865   29.481 -14.45390 38.08266 
1 1 1  -12   32   34 o   45.931   15.366  -8.3970   10.086 -21.3941   13.224   9.6847   15.597   35.529   17.665   56.332   25.149 -20.80346 30.73289 
1 1 1  -12   33    1 o   56.538   20.336   8.9819   7.9232   0.0000   0.0000   8.9819   7.9232  ?   ?    56.538   20.336      ?      ? 
1 1 1  -12   33    2 o   66.546   13.200   13.386   6.5251  -5.5563   10.654   24.756   8.2542   42.739   19.733   90.353   17.538 -47.61389 26.40069 
1 1 1  -12   33    3 o   54.879   15.044   4.0943   6.5939   15.070   10.950  -2.1505   8.2595   69.341   23.994   40.416   18.153 28.92487 30.08728 
1 1 1  -12   33    4 o  111.159   12.772   37.083   7.0831   37.252   11.997   36.993   8.7760  108.857   21.157  113.461   14.314 -4.604454 25.54409 
1 1 1  -12   33    5 o  100.612   15.408   32.548   8.1131   35.285   10.976   29.251   12.046  106.781   19.750   94.442   23.655 12.33884 30.81536 
1 1 1  -12   33    6 o  104.678   19.799   43.953   10.713   20.232   29.994   47.422   11.470   82.385   35.896  126.973   16.717 -44.58804 39.59769 
1 1 1  -12   33    7 o   59.852   19.705  -5.4093   9.9662   17.982   27.638  -8.9054   10.685   79.649   34.582   40.055   18.902 39.59422 39.41043 
1 1 1  -12   33    8 o   61.290   18.394   7.6593   9.7330   10.524   10.804  -4.6757   22.420   61.467   23.433   61.114   28.360 0.3530273 36.78857 
1 1 1  -12   33    9 o   73.351   18.951   17.679   9.1855   19.285   10.256   11.169   20.651   76.631   22.960   70.071   30.157 6.560326 37.90276 
1 1 1  -12   33   10 o  111.143   14.395   39.114   8.2999   49.230   11.710   28.901   11.766  128.876   16.814   93.410   23.369 35.46618 28.78932 
1 1 1  -12   33   11 o   56.246   16.114   6.9613   7.7408   9.8393   10.250   3.1407   11.810   59.640   22.803   52.852   22.776 6.788498 32.22886 
1 1 1  -12   33   12 o  125.405   12.539   47.165   8.4809   46.888   11.638   47.478   12.384  125.399   17.176  125.410   18.274 -0.1123810E-01 25.07869 
1 1 1  -12   33   13 o  149.579   11.079   65.715   8.9426   67.000   12.426   64.334   12.880  151.459   15.182  147.699   16.138 3.760025 22.15715 
1 1 1  -12   33   14 o   54.680   14.542   2.0833   7.6467   17.583   10.164 -18.1349   11.608   73.069   23.039   36.291   17.752 36.77789 29.08495 
1 1 1  -12   33   15 o   70.290   17.258   16.150   7.9230   15.927   10.235   16.484   12.516   69.770   23.210   70.810   25.548 -1.039444 34.51664 
1 1 1  -12   33   16 o   63.742   17.006   12.413   8.0658   14.432   10.630   9.6734   12.383   66.769   23.604   60.714   24.489 6.055931 34.01249 
1 1 1  -12   33   17 o  233.879   12.176  156.915   15.387   0.0000   0.0000  156.915   15.387  ?   ?   233.879   12.176      ?      ? 
1 1 1  -12   33   18 o   53.274   15.867   4.5544   8.1569   10.596   11.109  -2.5147   12.016   59.955   23.517   46.594   21.308 13.36102 31.73425 
1 1 1  -12   33   19 o  110.688   22.187   41.117   12.809   0.0000   0.0000   41.117   12.809  ?   ?   110.688   22.187      ?      ? 
1 1 1  -12   33   20 o   65.542   17.003   13.832   8.3016   19.426   11.235   7.1060   12.320   74.417   24.297   56.668   23.793 17.74942 34.00662 
1 1 1  -12   33   21 o   50.291   15.614   2.0226   8.1486   2.4903   11.070   1.4696   12.038   50.068   21.812   50.515   22.348 -0.4471092 31.22774 
1 1 1  -12   33   22 o   80.944   15.833   20.846   8.5466   38.671   12.354   4.4839   11.836  108.389   21.847   53.499   22.923 54.89034 31.66651 
1 1 1  -12   33   23 o   85.235   16.964   25.267   8.3212   30.782   11.721   19.664   11.815   95.393   23.006   75.076   24.936 20.31719 33.92733 
1 1 1  -12   33   24 o   72.067   17.775   18.308   8.4907   17.293   11.603   19.478   12.458   70.413   24.680   73.720   25.588 -3.307411 35.55076 
1 1 1  -12   33   25 o   43.754   21.822 -33.3559   20.841 -33.3559   20.841   0.0000   0.0000   43.754   21.822  ?   ?       ?      ? 
1 1 1  -12   33   26 o   48.336   16.655 -13.1203   13.805  -2.1635   20.739 -21.8378   18.499   53.451   25.540   43.221   21.385 10.23092 33.31080 
1 1 1  -12   33   27 o   58.917   27.911   4.7545   23.719   4.7545   23.719   0.0000   0.0000   58.917   27.911  ?   ?       ?      ? 
1 1 1  -12   33   29 o   80.214   19.334   28.326   10.687   33.919   13.744   19.773   16.996   91.772   26.337   68.655   28.313 23.11677 38.66840 
1 1 1  -12   33   30 o   55.261   16.908   8.3950   9.9148   15.428   12.701  -2.5766   15.864   62.172   24.899   48.349   22.882 13.82290 33.81620 
1 1 1  -12   34    1 o  101.402   15.288   30.413   8.3770   0.0000   0.0000   30.413   8.3770  ?   ?   101.402   15.288      ?      ? 
1 1 1  -12   34    2 o   29.241   14.314 -12.7411   7.5876   0.0000   0.0000 -12.7411   7.5876  ?   ?    29.241   14.314      ?      ? 
1 1 1  -12   34    3 o   88.641   15.432   25.256   7.1095   29.887   11.952   22.720   8.8445   93.424   23.652   83.857   19.830 9.566956 30.86477 
1 1 1  -12   34    4 o  116.580   11.584   40.353   7.0268   42.410   11.678   39.186   8.7978  117.355   18.415  115.806   14.059 1.548470 23.16837 
1 1 1  -12   34    5 f   54.750   14.278   7.4747   6.6613  -7.4932   11.627   14.787   8.1272   42.264   19.875   67.235   20.505 -24.97136 28.55664 
1 1 1  -12   34    6 o   59.103   16.319   7.4395   8.0192  -0.8271   10.636   18.329   12.207   45.853   20.597   72.353   25.317 -26.49943 32.63773 
1 1 1  -12   34    7 o  105.379   19.976   47.290   11.854   30.045   27.414   51.255   13.146   82.698   35.145  128.061   18.997 -45.36293 39.95127 
1 1 1  -12   34    8 o   57.963   19.414 -10.6498   11.194   25.000   27.368 -17.8114   12.267   78.687   34.287   37.239   18.222 41.44805 38.82799 
1 1 1  -12   34    9 o   83.501   18.681   28.288   9.6614   31.249   10.557   13.032   23.964   97.427   20.693   69.575   31.109 27.85143 37.36205 
1 1 1  -12   34   10 o   67.413   16.820   15.773   9.6624   24.746   10.775 -21.0743   21.834   84.495   22.988   50.330   24.560 34.16499 33.63980 
1 1 1  -12   34   11 o   37.232   12.736 -12.5405   7.6417 -11.5713   9.8058 -14.0393   12.195   35.430   17.092   39.035   18.887 -3.604698 25.47242 
1 1 1  -12   34   12 o   46.065   14.799  -1.9373   7.8258  -3.3633   10.033   0.2779   12.506   42.232   19.371   49.898   22.380 -7.665539 29.59887 
1 1 1  -12   34   13 o   54.018   15.965   5.0344   8.2108   10.974   10.915  -2.7074   12.461   60.657   23.444   47.379   21.679 13.27803 31.93091 
1 1 1  -12   34   14 o   42.656   14.185  -7.5750   8.3105  -8.9473   11.165  -5.8702   12.444   40.323   19.116   44.989   20.962 -4.666122 28.36929 
1 1 1  -12   34   15 o  103.249   16.554   36.876   9.2530   43.314   12.388   28.750   13.917  117.778   19.464   88.719   26.783 29.05866 33.10862 
1 1 1  -12   34   16 o  129.946   13.623   53.294   9.1930   59.119   12.602   46.668   13.441  140.247   16.628  119.645   21.583 20.60300 27.24579 
1 1 1  -12   34   17 o   38.437   13.234 -17.1987   8.8895 -12.4799   12.195 -22.5483   12.985   40.189   19.304   36.686   18.108 3.503036 26.46766 
1 1 1  -12   34   18 f   53.616   16.935  -0.5776   9.5469  -6.6118   11.744   11.180   16.393   42.936   20.122   64.295   27.244 -21.35907 33.86923 
1 1 1  -12   34   19 o   54.091   16.997   2.7632   9.6381  -1.1831   12.169   9.4054   15.788   47.332   21.567   60.851   26.278 -13.51944 33.99493 
1 1 1  -12   34   20 o   63.967   16.451   9.7378   10.008   30.315   13.168 -18.4054   15.399   86.902   26.011   41.031   20.147 45.87140 32.90131 
1 1 1  -12   34   21 o   47.432   22.551  -4.7117   15.757   0.0000   0.0000  -4.7117   15.757  ?   ?    47.432   22.551      ?      ? 
1 1 1  -12   34   25 o   65.420   26.402   17.552   14.402   17.552   14.402   0.0000   0.0000   65.420   26.402  ?   ?       ?      ? 
1 1 1  -12   34   26 o   48.484   15.977   0.4467   10.059   0.4338   12.930   0.4664   16.010   46.945   21.697   50.024   23.459 -3.079563 31.95493 
1 1 1  -12   35    1 o   55.234   23.506   5.5416   12.293   0.0000   0.0000   5.5416   12.293  ?   ?    55.234   23.506      ?      ? 
1 1 1  -12   35    2 o   81.858   25.551   23.894   12.535   0.0000   0.0000   23.894   12.535  ?   ?    81.858   25.551      ?      ? 
1 1 1  -12   35    3 o   83.724   28.698   26.554   15.647   0.0000   0.0000   26.554   15.647  ?   ?    83.724   28.698      ?      ? 
1 1 1  -12   35    4 o   53.952   16.722  -3.4371   10.054 -17.5473   13.394   14.775   15.217   39.756   19.364   68.148   27.267 -28.39248 33.44322 
1 1 1  -12   35    5 o   86.171   17.553   26.001   10.411   44.302   14.379   5.8311   15.095  113.772   24.136   58.570   25.493 55.20200 35.10610 
1 1 1  -12   35    6 o   47.633   15.646  -5.0734   9.6713  -5.3964   13.306  -4.7117   14.082   46.760   21.749   48.505   22.497 -1.744591 31.29158 
1 1 1  -12   35    7 o   54.698   16.941   3.5896   9.6632   7.2095   13.319  -0.4333   14.041   57.834   24.535   51.561   23.366 6.272434 33.88101 
1 1 1  -12   35    8 o   49.000   22.596  -3.2050   13.905   0.0000   0.0000  -3.2050   13.905  ?   ?    49.000   22.596      ?      ? 
1 1 1  -12   35    9 o   34.721   17.463 -36.0135   14.727   0.0000   0.0000 -36.0135   14.727  ?   ?    34.721   17.463      ?      ? 
1 1 1  -12   35   10 o   46.039   21.339  -3.6171   12.639  -3.6171   12.639   0.0000   0.0000   46.039   21.339  ?   ?       ?      ? 
1 1 1  -12   35   11 o   84.991   26.609   28.851   13.583   28.851   13.583   0.0000   0.0000   84.991   26.609  ?   ?       ?      ? 
1 1 1  -12   35   12 o   60.883   17.888   12.498   9.4389   10.577   11.921   15.727   15.452   57.493   23.711   64.274   26.791 -6.780594 35.77694 
1 1 1  -12   35   13 o   50.202   15.888   2.4091   9.4393   10.038   12.109  -9.4054   15.069   56.219   23.596   44.185   21.283 12.03368 31.77651 
1 1 1  -12   35   14 o   42.720   14.577 -10.1748   9.7619 -14.7050   12.652  -3.5090   15.346   37.802   18.500   47.638   22.534 -9.836330 29.15469 
1 1 1  -12   35   15 o   76.668   19.670   26.356   10.560   27.342   13.612   24.865   16.737   80.063   26.770   73.273   28.826 6.790825 39.33917 
1 1 1  -12   35   16 o   79.102   19.202   26.817   10.326   31.149   13.373   20.421   16.250   88.253   26.168   69.950   28.111 18.30311 38.40499 
1 1 1  -12   35   17 o   54.292   16.643   2.5685   10.298   16.025   13.445 -16.5360   16.020   65.554   25.821   43.031   21.007 22.52391 33.28657 
1 1 1  -12   35   18 o   62.890   29.034   9.9144   23.055   0.0000   0.0000   9.9144   23.055  ?   ?    62.890   29.034      ?      ? 
1 1 1  -12   35   19 o   45.312   22.394 -21.6509   20.079   0.0000   0.0000 -21.6509   20.079  ?   ?    45.312   22.394      ?      ? 
1 1 1  -12   35   20 o   51.177   17.736 -11.8325   16.064   1.9917   24.816 -21.8041   21.076   56.829   27.358   45.525   22.578 11.30405 35.47173 
1 1 1  -12   35   21 o   63.390   20.016   12.923   15.935 -17.0023   23.983   36.577   21.322   48.941   24.239   77.838   31.860 -28.89729 40.03215 
1 1 1  -12   36    1 o  109.694   14.073   36.216   8.3417   0.0000   0.0000   36.216   8.3417  ?   ?   109.694   14.073      ?      ? 
1 1 1  -12   36    2 o   29.530   14.457 -12.0623   7.7507   0.0000   0.0000 -12.0623   7.7507  ?   ?    29.530   14.457      ?      ? 
1 1 1  -12   36    3 o   51.167   20.402   7.3030   8.4890   0.0000   0.0000   7.3030   8.4890  ?   ?    51.167   20.402      ?      ? 
1 1 1  -12   36    4 o   43.257   19.214   0.8594   8.9853   0.0000   0.0000   0.8594   8.9853  ?   ?    43.257   19.214      ?      ? 
1 1 1  -12   36    5 o   45.606   13.860   1.6730   6.7969 -10.7545   11.639   8.1048   8.3730   38.863   18.716   52.349   20.449 -13.48623 27.72090 
1 1 1  -12   36    6 f   43.003   13.865  -0.9587   6.9828  -5.0743   12.051   1.1213   8.5676   43.242   20.303   42.763   18.889 0.4786987 27.73086 
1 1 1  -12   36    7 o   53.168   15.538   7.4691   6.9493   9.2320   11.999   6.5793   8.5246   56.401   23.567   49.935   20.257 6.465496 31.07640 
1 1 1  -12   36    8 o   44.014   14.277  -1.2048   7.5038  -1.3185   9.5160  -1.0178   12.202   41.731   19.037   46.297   21.282 -4.566250 28.55371 
1 1 1  -12   36    9 o   66.914   20.247   14.497   10.874   33.964   23.802   9.3630   12.224   77.821   32.894   56.006   23.617 21.81495 40.49408 
1 1 1  -12   36   10 o   47.654   16.249  -5.5732   11.078 -16.1014   23.987  -2.7184   12.490   50.533   24.878   44.775   20.908 5.757618 32.49747 
1 1 1  -12   36   11 o   47.405   16.001  -1.9742   9.2819  -1.3522   10.244  -4.8266   21.938   42.218   19.441   52.592   25.419 -10.37375 32.00111 
1 1 1  -12   36   12 o  108.246   20.403   36.039   10.197   23.563   11.215   95.541   24.492   75.887   24.231  140.604   32.832 -64.71678 40.80518 
1 1 1  -12   36   13 o   46.953   15.842  -3.9625   11.067 -29.7523   24.181   2.8711   12.448   45.653   22.879   48.253   21.919 -2.599728 31.68443 
1 1 1  -12   36   14 o   53.836   18.466  -2.4357   16.593   6.3649   24.626  -9.7545   22.457   57.562   27.591   50.110   24.549 7.452232 36.93153 
1 1 1  -11    0    1 o  113.232   3.2839   34.818   2.8307   34.818   2.8307   34.818   2.8307  113.232   4.6441  113.232   4.6441 0.000000 0.000000 
1 1 1  -11    0    2 o  820.058   9.9322  1819.44   62.202  1819.44   62.202  1819.44   62.202  820.058   14.046  820.058   14.046 0.000000 0.000000 
1 1 1  -11    0    3 o  1596.97   18.955  6908.46  231.181  6908.46  231.181  6908.46  231.181  1596.97   26.807  1596.97   26.807 0.000000 0.000000 
1 1 1  -11    0    4 o  201.173   3.5493  109.556   5.4488  109.556   5.4488  109.556   5.4488  201.173   5.0194  201.173   5.0194 0.000000 0.000000 
1 1 1  -11    0    5 o  183.028   3.4829   90.711   4.8635   90.711   4.8635   90.711   4.8635  183.028   4.9256  183.028   4.9256 0.000000 0.000000 
1 1 1  -11    0    6 o  552.807   6.9468  826.652   29.326  826.652   29.326  826.652   29.326  552.807   9.8242  552.807   9.8242 0.000000 0.000000 
1 1 1  -11    0    7 o  1148.75   13.731  3571.92  120.460  3571.92  120.460  3571.92  120.460  1148.75   19.418  1148.75   19.418 0.000000 0.000000 
1 1 1  -11    0    8 o  953.780   11.481  2461.67   83.625  2461.67   83.625  2461.67   83.625  953.780   16.236  953.780   16.236 0.000000 0.000000 
1 1 1  -11    0    9 f  279.067   4.2210  210.724   8.9924  210.724   8.9924  210.724   8.9924  279.067   5.9694  279.067   5.9694 0.000000 0.000000 
1 1 1  -11    0   10 o  1182.49   14.127  3785.77  127.577  3785.77  127.577  3785.77  127.577  1182.49   19.979  1182.49   19.979 0.000000 0.000000 
1 1 1  -11    0   11 o  1586.42   18.854  6823.27  228.432  6823.27  228.432  6823.27  228.432  1586.42   26.664  1586.42   26.664 0.000000 0.000000 
1 1 1  -11    0   12 o  1282.37   15.308  4456.26  149.923  4456.26  149.923  4456.26  149.923  1282.37   21.649  1282.37   21.649 0.000000 0.000000 
1 1 1  -11    0   13 o  151.966   3.6421   62.619   4.2186   62.619   4.2186   62.619   4.2186  151.966   5.1507  151.966   5.1507 0.000000 0.000000 
1 1 1  -11    0   14 o  271.660   4.2636  199.726   8.8413  199.726   8.8413  199.726   8.8413  271.660   6.0296  271.660   6.0296 0.000000 0.000000 
1 1 1  -11    0   15 o  111.273   4.1130   33.733   3.4757   33.733   3.4757   33.733   3.4757  111.273   5.8167  111.273   5.8167 0.000000 0.000000 
1 1 1  -11    0   16 o  112.355   4.2684   34.409   3.6407   34.409   3.6407   34.409   3.6407  112.355   6.0364  112.355   6.0364 0.000000 0.000000 
1 1 1  -11    0   17 f  278.262   4.3392  209.554   9.2170  209.554   9.2170  209.554   9.2170  278.262   6.1366  278.262   6.1366 0.000000 0.000000 
1 1 1  -11    0   20 o  396.208   7.6876  425.450   23.237  425.450   23.237  425.450   23.237  396.208   10.872  396.208   10.872 0.000000 0.000000 
1 1 1  -11    0   21 o  273.177   4.3821  201.994   9.1374  201.994   9.1374  201.994   9.1374  273.177   6.1972  273.177   6.1972 0.000000 0.000000 
1 1 1  -11    0   22 o  678.366   8.4221  1245.69   43.630  1245.69   43.630  1245.69   43.630  678.366   11.911  678.366   11.911 0.000000 0.000000 
1 1 1  -11    0   23 o  1871.79   22.294  9535.99  318.695  9535.99  318.695  9535.99  318.695  1871.79   31.529  1871.79   31.529 0.000000 0.000000 
1 1 1  -11    0   24 o  328.494   4.9128  292.030   12.320  292.030   12.320  292.030   12.320  328.494   6.9477  328.494   6.9477 0.000000 0.000000 
1 1 1  -11    0   25 o  528.739   6.8432  756.488   27.630  756.488   27.630  756.488   27.630  528.739   9.6778  528.739   9.6778 0.000000 0.000000 
1 1 1  -11    0   26 o  584.950   7.4354  925.900   33.213  925.900   33.213  925.900   33.213  584.950   10.515  584.950   10.515 0.000000 0.000000 
1 1 1  -11    0   27 o  690.797   8.5848  1291.44   45.288  1291.44   45.288  1291.44   45.288  690.797   12.141  690.797   12.141 0.000000 0.000000 
1 1 1  -11    0   28 o  276.911   4.6385  207.563   9.8033  207.563   9.8033  207.563   9.8033  276.911   6.5599  276.911   6.5599 0.000000 0.000000 
1 1 1  -11    0   29 f   65.212   10.134   13.029   4.4196   13.029   4.4196   13.029   4.4196   65.212   14.331   65.212   14.331 0.000000 0.000000 
1 1 1  -11    0   30 o  1689.13   20.099  7739.75  259.275  7739.75  259.275  7739.75  259.275  1689.13   28.424  1689.13   28.424 0.000000 0.000000 
1 1 1  -11    0   31 o  304.245   5.0056  250.554   11.624  250.554   11.624  250.554   11.624  304.245   7.0790  304.245   7.0790 0.000000 0.000000 
1 1 1  -11    0   32 o  630.022   7.9760  1074.06   38.373  1074.06   38.373  1074.06   38.373  630.022   11.280  630.022   11.280 0.000000 0.000000 
1 1 1  -11    0   33 o  316.890   5.2800  271.835   12.770  271.835   12.770  271.835   12.770  316.890   7.4671  316.890   7.4671 0.000000 0.000000 
1 1 1  -11    0   34 o  1831.63   21.808  9113.60  305.049  9113.60  305.049  9113.60  305.049  1831.63   30.840  1831.63   30.840 0.000000 0.000000 
1 1 1  -11    0   35 o  201.853   5.7603  110.663   8.8527  110.663   8.8527  110.663   8.8527  201.853   8.1463  201.853   8.1463 0.000000 0.000000 
1 1 1  -11    0   36 o  142.686   7.3525   55.914   7.9193   55.914   7.9193   55.914   7.9193  142.686   10.398  142.686   10.398 0.000000 0.000000 
1 1 1  -11    0   38 o  1027.03   12.540  2858.42   98.355  2858.42   98.355  2858.42   98.355  1027.03   17.734  1027.03   17.734 0.000000 0.000000 
1 1 1  -11    0   39 o  512.449   7.0270  710.791   27.495  710.791   27.495  710.791   27.495  512.449   9.9377  512.449   9.9377 0.000000 0.000000 
1 1 1  -11    0   40 o  532.193   7.1644  766.702   29.114  766.702   29.114  766.702   29.114  532.193   10.132  532.193   10.132 0.000000 0.000000 
1 1 1  -11    0   41 o  315.687   5.6960  269.944   13.721  269.944   13.721  269.944   13.721  315.687   8.0554  315.687   8.0554 0.000000 0.000000 
1 1 1  -11    0   42 o  611.051   7.9538  1011.14   37.113  1011.14   37.113  1011.14   37.113  611.051   11.248  611.051   11.248 0.000000 0.000000 
1 1 1  -11    0   43 f  184.998   6.7324   93.308   9.4603   93.308   9.4603   93.308   9.4603  184.998   9.5211  184.998   9.5211 0.000000 0.000000 
1 1 1  -11    0   44 o  238.992   5.7010  154.987   10.385  154.987   10.385  154.987   10.385  238.992   8.0625  238.992   8.0625 0.000000 0.000000 
1 1 1  -11    0   45 o  265.856   5.6630  191.681   11.482  191.681   11.482  191.681   11.482  265.856   8.0087  265.856   8.0087 0.000000 0.000000 
1 1 1  -11    0   46 o  235.650   5.8252  150.786   10.461  150.786   10.461  150.786   10.461  235.650   8.2381  235.650   8.2381 0.000000 0.000000 
1 1 1  -11    0   49 o  220.380   8.5773  133.018   14.345  133.018   14.345  133.018   14.345  220.380   12.130  220.380   12.130 0.000000 0.000000 
1 1 1  -11    0   50 o  249.483   5.6832  169.053   10.810  169.053   10.810  169.053   10.810  249.483   8.0372  249.483   8.0372 0.000000 0.000000 
1 1 1  -11    0   51 o  290.582   5.5489  229.206   12.302  229.206   12.302  229.206   12.302  290.582   7.8473  290.582   7.8473 0.000000 0.000000 
1 1 1  -11    0   52 o  246.728   5.6648  165.487   10.655  165.487   10.655  165.487   10.655  246.728   8.0112  246.728   8.0112 0.000000 0.000000 
1 1 1  -11    0   53 o   37.228   15.344   4.6904   7.2278   4.6904   7.2278   4.6904   7.2278   37.228   21.700   37.228   21.700 0.000000 0.000000 
1 1 1  -11    0   54 o  291.398   5.6091  230.808   12.470  230.808   12.470  230.808   12.470  291.398   7.9325  291.398   7.9325 0.000000 0.000000 
1 1 1  -11    0   55 o  129.950   7.9268   47.020   7.7371   47.020   7.7371   47.020   7.7371  129.950   11.210  129.950   11.210 0.000000 0.000000 
1 1 1  -11    0   56 o  172.554   6.4854   81.637   8.4967   81.637   8.4967   81.637   8.4967  172.554   9.1717  172.554   9.1717 0.000000 0.000000 
1 1 1  -11    0   57 o  147.993   7.3044   60.593   8.1685   60.593   8.1685   60.593   8.1685  147.993   10.330  147.993   10.330 0.000000 0.000000 
1 1 1  -11    0   58 o   25.526   12.169  -2.7350   6.8590  -2.7350   6.8590  -2.7350   6.8590   25.526   17.209   25.526   17.209 0.000000 0.000000 
1 1 1  -11    0   59 o  225.685   5.9686  139.274   10.261  139.274   10.261  139.274   10.261  225.685   8.4409  225.685   8.4409 0.000000 0.000000 
1 1 1  -11    0   60 o   22.054   10.967  -7.5702   7.1819  -7.5702   7.1819  -7.5702   7.1819   22.054   15.510   22.054   15.510 0.000000 0.000000 
1 1 1  -11    0   61 o  333.463   5.9415  303.865   15.119  303.865   15.119  303.865   15.119  333.463   8.4025  333.463   8.4025 0.000000 0.000000 
1 1 1  -11    0   62 o   84.683   19.991   26.734   11.532   26.734   11.532   26.734   11.532   84.683   28.271   84.683   28.271 0.000000 0.000000 
1 1 1  -11    0   63 o  353.651   8.6542  346.847   23.325  346.847   23.325  346.847   23.325  353.651   12.239  353.651   12.239 0.000000 0.000000 
1 1 1  -11    0   64 o  117.737   16.150   44.144   12.959   44.144   12.959   44.144   12.959  117.737   22.839  117.737   22.839 0.000000 0.000000 
1 1 1  -11    0   65 o  163.379   7.7915   74.913   9.6264   74.913   9.6264   74.913   9.6264  163.379   11.019  163.379   11.019 0.000000 0.000000 
1 1 1  -11    0   66 f   38.891   16.474   5.6329   8.7488   5.6329   8.7488   5.6329   8.7488   38.891   23.298   38.891   23.298 0.000000 0.000000 
1 1 1  -11    0   67 o   18.422   9.5737 -24.3798   9.2136 -24.3798   9.2136 -24.3798   9.2136   18.422   13.539   18.422   13.539 0.000000 0.000000 
1 1 1  -11    0   68 o  335.727   6.3221  313.298   16.194  313.298   16.194  313.298   16.194  335.727   8.9408  335.727   8.9408 0.000000 0.000000 
1 1 1  -11    0   69 o   33.794   15.340   2.5791   9.0124   2.5791   9.0124   2.5791   9.0124   33.794   21.694   33.794   21.694 0.000000 0.000000 
1 1 1  -11    1    1 o  839.468   10.145  1905.42   46.011  1882.42   64.290  1929.56   65.877  834.282   14.261  844.654   14.433 -10.37170 20.29009 
1 1 1  -11    1    2 o  832.377   10.067  1873.83   45.279  1874.93   64.087  1872.73   63.981  832.621   14.244  832.132   14.229 0.4895630 20.13349 
1 1 1  -11    1    3 o  581.547   7.2428  913.792   22.752  898.599   31.676  929.985   32.702  576.557   10.167  586.536   10.318 -9.978210 14.48554 
1 1 1  -11    1    4 o  1019.73   12.225  2812.65   67.343  2772.52   93.844  2855.25   96.693  1012.25   17.157  1027.22   17.420 -14.96796 24.44998 
1 1 1  -11    1    5 o  875.966   10.573  2075.13   50.036  2096.57   71.519  2054.57   70.029  880.393   15.033  871.539   14.870 8.853455 21.14500 
1 1 1  -11    1    6 o  228.765   3.7795  141.400   4.6719  139.690   6.5651  143.154   6.6498  227.364   5.3436  230.166   5.3466 -2.802094 7.559083 
1 1 1  -11    1    7 o  1383.45   16.460  5185.01  123.038  5143.09  172.560  5228.36  175.481  1377.78   23.178  1389.12   23.378 -11.34094 32.91998 
1 1 1  -11    1    8 f  684.691   8.4125  1265.97   31.095  1233.20   42.856  1302.42   45.187  675.350   11.743  694.032   12.049 -18.68207 16.82504 
1 1 1  -11    1    9 o  485.060   6.2236  635.768   16.309  626.791   22.773  645.218   23.367  481.547   8.7518  488.573   8.8507 -7.025146 12.44710 
1 1 1  -11    1   10 o  999.605   12.011  2703.79   64.864  2669.82   90.551  2739.58   92.960  993.171   16.872  1006.04   17.100 -12.86823 24.02261 
1 1 1  -11    1   11 o  675.031   8.3136  1232.43   30.325  1230.32   42.814  1234.54   42.958  674.454   11.747  675.608   11.767 -1.154114 16.62723 
1 1 1  -11    1   12 o  100.981   3.9739   27.469   2.1621   30.610   3.1494   24.668   2.9735  106.424   5.4765   95.538   5.7597 10.88689 7.947736 
1 1 1  -11    1   13 f  761.815   9.3056  1570.80   38.306  1579.33   54.469  1562.46   53.881  763.856   13.196  759.774   13.124 4.082642 18.61112 
1 1 1  -11    1   14 o  565.781   7.1250  865.750   21.782  871.879   31.023  859.792   30.590  567.753   10.112  563.808   10.041 3.944824 14.25002 
1 1 1  -11    1   15 o  537.724   6.8310  781.802   19.844  792.786   28.433  771.370   27.709  541.402   9.7187  534.046   9.6019 7.356323 13.66198 
1 1 1  -11    1   16 o  368.716   5.1039  367.338   10.165  374.554   14.624  360.591   14.140  372.216   7.2707  365.215   7.1649 7.000549 10.20779 
1 1 1  -11    1   17 o  598.937   9.1908  974.430   28.187  981.417   34.770  961.036   48.141  602.278   10.684  595.595   14.958 6.682373 18.38154 
1 1 1  -11    1   20 o  758.035   13.190  1559.02   53.996  1526.58   74.771  1594.37   78.058  749.841   18.453  766.229   18.853 -16.38721 26.38088 
1 1 1  -11    1   21 o  548.797   6.9916  814.891   20.733  812.472   29.233  817.338   29.411  547.979   9.8723  549.616   9.9028 -1.636108 13.98316 
1 1 1  -11    1   22 f  593.990   7.4793  954.729   24.007  954.295   33.938  955.163   33.963  593.855   10.576  594.125   10.579 -0.2699585 14.95863 
1 1 1  -11    1   23 o  626.523   7.8457  1062.26   26.562  1061.24   37.522  1063.30   37.606  626.219   11.089  626.825   11.102 -0.6058960 15.69147 
1 1 1  -11    1   24 o  479.206   6.2882  621.060   16.283  621.667   23.042  620.454   23.013  479.440   8.8941  478.972   8.8916 0.4678955 12.57639 
1 1 1  -11    1   25 o  521.576   6.7412  735.645   18.997  729.166   26.630  742.360   27.109  519.240   9.4911  523.912   9.5758 -4.671997 13.48243 
1 1 1  -11    1   26 o  449.969   6.0360  547.393   14.675  542.902   20.586  552.033   20.925  448.094   8.5020  451.844   8.5702 -3.749695 12.07195 
1 1 1  -11    1   27 o  314.165   4.8800  266.707   8.2831  261.717   11.588  271.922   11.845  311.161   6.8916  317.170   6.9110 -6.008179 9.759950 
1 1 1  -11    1   28 o  876.117   10.662  2078.00   50.476  2081.08   71.487  2074.94   71.280  876.762   15.089  875.471   15.067 1.291138 21.32378 
1 1 1  -11    1   29 o  748.453   9.2303  1515.47   37.329  1507.24   52.494  1523.89   53.094  746.400   13.015  750.506   13.092 -4.105713 18.46065 
1 1 1  -11    1   30 o  411.054   5.7781  456.756   12.834  456.759   18.120  456.753   18.180  411.055   8.1578  411.052   8.1850 0.3204346E-02 11.55613 
1 1 1  -11    1   31 o  1890.33   22.539  9738.57  230.223  9703.82  324.330  9773.85  326.854  1886.96   31.808  1893.69   31.942 -6.728149 45.07778 
1 1 1  -11    1   32 o  786.772   9.6907  1672.47   41.145  1624.83   56.469  1726.38   60.074  774.869   13.486  798.676   13.920 -23.80713 19.38144 
1 1 1  -11    1   33 o  943.336   11.467  2409.89   58.450  2420.01   82.993  2399.93   82.334  945.296   16.248  941.376   16.185 3.920593 22.93365 
1 1 1  -11    1   34 o  836.852   10.270  1895.96   46.441  1887.40   65.395  1904.68   65.964  834.948   14.494  838.755   14.554 -3.807312 20.54033 
1 1 1  -11    1   35 o  345.855   5.5620  323.357   10.394  327.859   14.806  318.982   14.595  348.228   7.8681  343.481   7.8637 4.746796 11.12408 
1 1 1  -11    1   36 o  361.484   5.6930  353.324   11.120  352.803   15.636  353.856   15.817  361.216   8.0107  361.752   8.0914 -0.5357666 11.38607 
1 1 1  -11    1   37 o  776.653   13.659  1633.35   57.326  1633.35   57.326   0.0000   0.0000  776.653   13.659  ?   ?       ?      ? 
1 1 1  -11    1   38 o  633.260   8.1463  1085.42   27.876  1086.56   39.447  1084.28   39.399  633.593   11.522  632.928   11.520 0.6649170 16.29265 
1 1 1  -11    1   39 o  389.514   6.0755  410.167   12.785  418.116   18.330  402.637   17.840  393.186   8.6274  385.842   8.5565 7.343628 12.15093 
1 1 1  -11    1   40 o  434.383   6.3489  510.426   14.902  505.566   20.944  515.410   21.208  432.289   8.9658  436.476   8.9917 -4.186798 12.69786 
1 1 1  -11    1   41 o  184.221   6.9106   91.836   6.8785   90.823   9.6456   92.885   9.8120  183.188   9.7442  185.254   9.8017 -2.065826 13.82111 
1 1 1  -11    1   42 o  449.230   6.4885  546.069   15.749  536.872   22.075  555.602   22.475  445.379   9.1725  453.081   9.1797 -7.702118 12.97695 
1 1 1  -11    1   43 o  118.951   9.3501   38.747   5.9492   44.154   8.3056   33.049   8.5256  127.596   12.046  110.307   14.303 17.28982 18.70011 
1 1 1  -11    1   44 o  591.973   7.7615  950.011   24.828  947.387   35.074  952.646   35.149  591.153   10.980  592.793   10.973 -1.639709 15.52303 
1 1 1  -11    1   45 o  411.422   6.1493  458.003   13.664  472.876   19.723  444.278   18.946  417.833   8.7356  405.011   8.6571 12.82251 12.29863 
1 1 1  -11    1   46 o  307.926   6.8274  256.419   10.672  259.234   18.659  255.051   13.010  308.984   11.176  306.867   7.8460 2.116974 13.65484 
1 1 1  -11    1   49 o  285.904   6.9872  216.020   9.9301  238.063   18.411  206.977   11.792  295.581   11.527  276.227   7.9004 19.35437 13.97436 
1 1 1  -11    1   50 o   52.056   13.330   5.8029   5.0043   2.2986   7.0888   9.2843   7.0656   45.218   18.423   58.894   19.270 -13.67623 26.65980 
1 1 1  -11    1   51 o  481.033   6.7157  629.810   17.456  628.696   24.659  630.929   24.715  480.607   9.4950  481.458   9.4999 -0.8510437 13.43148 
1 1 1  -11    1   52 o  192.004   6.0931  100.282   6.3209  102.404   9.0084   98.224   8.8715  194.008   8.5929  189.999   8.6408 4.008286 12.18613 
1 1 1  -11    1   53 o  187.127   6.0884   94.845   6.1406  103.750   9.0569   87.269   8.3540  195.219   8.5856  179.036   8.6351 16.18306 12.17687 
1 1 1  -11    1   54 o  101.763   9.5752   28.740   5.2084   23.768   7.3057   33.879   7.4275   92.588   14.602  110.938   12.390 -18.34929 19.15044 
1 1 1  -11    1   55 o  159.504   6.7705   68.808   5.7891   82.314   8.6753   57.965   7.7728  173.518   9.2524  145.489   9.8868 28.02843 13.54090 
1 1 1  -11    1   56 o  214.213   5.9679  125.229   6.9050  128.953   9.9483  121.766   9.5917  217.275   8.4733  211.151   8.4065 6.123596 11.93587 
1 1 1  -11    1   57 o  164.354   6.7701   74.197   6.0123   74.625   8.4774   73.764   8.5283  164.847   9.5168  163.861   9.6316 0.9863892 13.54021 
1 1 1  -11    1   58 o  114.087   8.6630   35.960   5.3193   40.675   7.8698   31.994   7.2178  120.982   12.038  107.191   12.461 13.79108 17.32608 
1 1 1  -11    1   59 o   94.530   11.026   25.786   5.5045   24.858   7.9046   26.660   7.6698   92.007   16.505   97.052   14.625 -5.045181 22.05249 
1 1 1  -11    1   60 o   89.672   11.386   23.528   5.3667   21.662   7.7949   25.210   7.3997   85.124   17.530   94.220   14.534 -9.095993 22.77126 
1 1 1  -11    1   61 o  185.082   6.6867   94.694   6.6837   90.692   9.2920   98.983   9.6208  181.014   9.4997  189.149   9.4128 -8.134781 13.37331 
1 1 1  -11    1   62 o  149.038   9.3920   61.262   7.2457   56.818   8.9113   69.932   12.447  142.190   11.598  155.886   14.776 -13.69609 18.78407 
1 1 1  -11    1   63 o   97.085   15.615   27.379   8.1920   0.0000   0.0000   27.379   8.1920  ?   ?    97.085   15.615      ?      ? 
1 1 1  -11    1   64 o   76.556   14.318   18.709   6.0873   22.584   8.7253   15.034   8.4966   84.580   19.491   68.532   20.979 16.04744 28.63579 
1 1 1  -11    1   65 o   41.994   13.686  -4.3730   6.7029  -6.7620   8.1873   0.4831   11.673   35.091   16.556   48.897   21.798 -13.80564 27.37234 
1 1 1  -11    1   66 o  177.366   7.7421   89.200   7.4110   95.451   10.633   83.296   10.334  183.581   10.719  171.152   11.174 12.42847 15.48416 
1 1 1  -11    1   67 o   71.658   14.129   16.402   6.5759   4.9364   9.2764   27.985   9.3233   50.012   20.795   93.303   19.134 -43.29146 28.25842 
1 1 1  -11    1   68 o  101.601   12.432   34.007   6.5522   26.935   9.2100   41.254   9.3235   87.916   19.856  115.285   14.966 -27.36932 24.86457 
1 1 1  -11    1   69 o   44.524   13.677   1.6355   6.3990  -4.1721   9.0657   7.4020   9.0335   38.011   17.770   51.038   20.796 -13.02685 27.35456 
1 1 1  -11    2    1 o  806.325   9.7767  1757.20   42.575  1790.95   61.422  1725.99   59.069  813.764   13.968  798.886   13.683 14.87744 19.55336 
1 1 1  -11    2    2 o  817.667   9.9089  1808.11   43.780  1816.92   62.229  1799.47   61.604  819.636   14.050  815.698   13.976 3.938660 19.81787 
1 1 1  -11    2    3 f  801.167   9.7184  1735.73   42.070  1723.30   59.083  1748.52   59.919  798.260   13.697  804.074   13.791 -5.813416 19.43679 
1 1 1  -11    2    4 o  1076.44   12.893  3134.95   74.975  3093.18  104.598  3179.08  107.525  1069.08   18.106  1083.80   18.360 -14.71606 25.78614 
1 1 1  -11    2    5 o  1333.50   15.875  4813.69  114.328  4725.03  158.550  4909.73  165.012  1320.76   22.216  1346.25   22.683 -25.49304 31.74982 
1 1 1  -11    2    6 o  412.112   5.4596  459.004   12.158  460.055   17.248  457.965   17.141  412.581   7.7363  411.643   7.7058 0.9376831 10.91922 
1 1 1  -11    2    7 o  952.233   11.456  2452.66   58.936  2424.95   82.365  2481.73   84.368  946.732   16.100  957.735   16.302 -11.00342 22.91215 
1 1 1  -11    2    8 o  494.438   6.3288  660.659   16.906  668.271   24.179  653.378   23.648  497.222   8.9992  491.653   8.9013 5.569580 12.65770 
1 1 1  -11    2    9 o  693.746   8.5209  1301.43   31.942  1295.33   44.981  1307.64   45.366  692.107   12.027  695.385   12.073 -3.278259 17.04170 
1 1 1  -11    2   10 o  934.630   11.265  2363.17   56.872  2403.15   81.842  2325.83   79.087  942.257   16.074  927.004   15.788 15.25311 22.53079 
1 1 1  -11    2   11 o  408.778   5.4611  451.688   12.063  449.602   16.984  453.810   17.135  407.826   7.7070  409.730   7.7392 -1.903473 10.92213 
1 1 1  -11    2   12 o  788.850   9.6124  1684.38   40.974  1687.77   58.073  1681.03   57.820  789.637   13.610  788.062   13.578 1.574646 19.22472 
1 1 1  -11    2   13 o  386.082   5.2496  402.968   10.952  403.436   15.499  402.501   15.478  386.306   7.4247  385.858   7.4233 0.4478455 10.49910 
1 1 1  -11    2   14 o  313.249   4.5964  265.228   7.7800  262.234   10.965  268.263   11.041  311.469   6.5149  315.030   6.4857 -3.560852 9.192818 
1 1 1  -11    2   15 o  834.727   10.142  1886.73   45.743  1871.49   64.176  1902.46   65.217  831.308   14.286  838.145   14.400 -6.836182 20.28424 
1 1 1  -11    2   16 o  260.122   4.2263  182.899   5.9397  182.477   8.4664  183.308   8.3352  259.826   6.0301  260.419   5.9232 -0.5927734 8.452647 
1 1 1  -11    2   17 o  923.984   15.850  2320.94   79.137  2317.57  111.749  2324.32  112.087  923.316   22.398  924.651   22.433 -1.335938 31.70015 
1 1 1  -11    2   20 o  727.264   12.675  1432.39   49.810  1432.39   49.810   0.0000   0.0000  727.264   12.675  ?   ?       ?      ? 
1 1 1  -11    2   21 o  440.786   5.8660  525.453   13.972  527.701   19.841  523.242   19.677  441.720   8.3126  439.852   8.2789 1.868439 11.73201 
1 1 1  -11    2   22 o  124.441   4.5511   41.369   3.0416   46.717   4.6194   37.276   4.0412  131.457   6.5030  117.426   6.3689 14.03066 9.102296 
1 1 1  -11    2   23 o  688.594   8.5327  1283.46   31.748  1291.20   45.177  1275.92   44.624  690.639   12.105  686.549   12.028 4.089600 17.06532 
1 1 1  -11    2   24 o  414.529   5.6537  464.609   12.664  467.292   17.991  461.974   17.829  415.714   8.0089  413.343   7.9822 2.371338 11.30746 
1 1 1  -11    2   25 o  255.165   4.3983  175.983   6.0639  175.592   8.5160  176.385   8.6366  254.878   6.1832  255.453   6.2567 -0.5742798 8.796520 
1 1 1  -11    2   26 o  578.895   7.3637  906.445   23.035  907.500   32.626  905.396   32.527  579.231   10.424  578.560   10.404 0.6707153 14.72741 
1 1 1  -11    2   27 o  408.826   5.6531  451.849   12.488  453.194   17.722  450.522   17.601  409.430   8.0103  408.222   7.9790 1.208038 11.30614 
1 1 1  -11    2   28 o  608.804   7.6970  1002.43   25.321  1000.89   35.793  1003.98   35.827  608.334   10.889  609.275   10.882 -0.9412231 15.39405 
1 1 1  -11    2   29 f  873.293   10.636  2064.07   50.188  2075.58   71.347  2052.79   70.613  875.700   15.078  870.886   15.005 4.813232 21.27161 
1 1 1  -11    2   30 o  865.358   10.551  2025.98   49.319  2058.13   70.890  1995.83   68.660  871.994   15.045  858.722   14.797 13.27240 21.10166 
1 1 1  -11    2   31 o  370.363   5.4511  370.640   10.906  364.486   15.204  377.163   15.653  367.198   7.6627  373.527   7.7549 -6.328949 10.90212 
1 1 1  -11    2   32 o  300.345   4.9931  243.622   8.1000  236.534   11.254  251.240   11.668  295.817   7.0401  304.874   7.0825 -9.056427 9.986214 
1 1 1  -11    2   33 o  405.157   5.8236  443.546   12.746  434.596   17.755  453.062   18.308  400.943   8.1948  409.370   8.2765 -8.427063 11.64710 
1 1 1  -11    2   34 o  436.387   6.1306  514.828   14.455  509.452   20.277  520.383   20.613  434.072   8.6447  438.702   8.6951 -4.630280 12.26113 
1 1 1  -11    2   35 o  773.546   9.5829  1619.90   40.052  1633.82   57.133  1606.46   56.164  776.805   13.611  770.287   13.493 6.517578 19.16579 
1 1 1  -11    2   36 o  287.641   5.4244  223.693   8.4275  224.027   12.104  223.379   11.741  287.847   7.7816  287.436   7.5592 0.4107666 10.84877 
1 1 1  -11    2   37 o  612.568   7.9162  1015.15   26.198  1005.34   36.611  1025.44   37.504  609.542   11.115  615.593   11.274 -6.051208 15.83237 
1 1 1  -11    2   38 o  914.674   11.205  2267.55   55.370  2239.78   77.355  2296.72   79.291  908.953   15.749  920.394   15.943 -11.44147 22.40999 
1 1 1  -11    2   39 o  247.815   5.7255  165.863   7.6615  174.605   11.046  157.760   10.635  254.100   8.0450  241.530   8.1487 12.57079 11.45096 
1 1 1  -11    2   40 o  497.010   6.8421  668.294   18.373  677.013   26.276  659.953   25.699  500.177   9.7218  493.843   9.6305 6.334625 13.68428 
1 1 1  -11    2   41 o  428.751   6.3169  497.396   14.634  496.451   20.802  498.323   20.591  428.344   8.9874  429.158   8.8793 -0.8143005 12.63390 
1 1 1  -11    2   42 o  325.229   8.1073  286.188   14.248  286.188   14.248   0.0000   0.0000  325.229   8.1073  ?   ?       ?      ? 
1 1 1  -11    2   43 o  536.597   7.1981  779.973   20.870  773.320   29.278  786.846   29.757  534.277   10.141  538.918   10.218 -4.640930 14.39628 
1 1 1  -11    2   44 o  395.316   6.0524  422.954   12.926  432.781   18.484  413.547   18.084  399.809   8.5556  390.823   8.5630 8.986359 12.10471 
1 1 1  -11    2   45 o  487.937   6.7603  645.166   17.823  649.874   25.407  640.603   25.009  489.683   9.6017  486.190   9.5193 3.492554 13.52069 
1 1 1  -11    2   46 f  613.565   9.7900  1025.89   30.697  1022.52   52.750  1027.61   37.747  612.026   15.950  615.104   11.356 -3.078674 19.58009 
1 1 1  -11    2   49 o  270.725   6.9602  203.441   9.6624  185.293   16.084  213.689   12.087  260.791   11.413  280.659   7.9696 -19.86829 13.92032 
1 1 1  -11    2   50 o  209.614   5.9373  119.295   6.7246  117.894   9.5180  120.692   9.5021  208.378   8.4529  210.850   8.3398 -2.471939 11.87453 
1 1 1  -11    2   51 o  341.336   5.7517  316.393   10.606  310.878   14.779  322.247   15.228  338.282   8.0852  344.390   8.1827 -6.107666 11.50332 
1 1 1  -11    2   52 o  185.596   6.1693   93.553   6.1808   98.958   8.9698   88.666   8.5289  190.693   8.7048  180.499   8.7444 10.19444 12.33850 
1 1 1  -11    2   53 o  122.538   8.1266   41.165   5.3742   40.241   7.7431   42.024   7.4651  121.160   11.827  123.915   11.149 -2.755264 16.25313 
1 1 1  -11    2   54 o  227.539   5.7361  140.831   7.0475  146.880   10.203  135.312   9.7463  232.200   8.1314  222.878   8.0925 9.322037 11.47210 
1 1 1  -11    2   55 o  168.215   6.4885   77.336   5.8972   75.831   8.2802   78.886   8.4010  166.549   9.2004  169.880   9.1516 -3.331573 12.97692 
1 1 1  -11    2   56 o  137.457   7.5005   51.957   5.5690   50.429   7.8858   53.478   7.8659  135.402   10.778  139.513   10.434 -4.111221 15.00094 
1 1 1  -11    2   57 o   83.061   11.705   20.104   5.0626   21.571   7.4136   18.822   6.9300   85.954   16.562   80.169   16.546 5.784866 23.41088 
1 1 1  -11    2   58 o   68.551   13.649   14.048   5.2660   14.313   7.6344   13.807   7.2732   69.120   19.560   67.982   19.041 1.138351 27.29739 
1 1 1  -11    2   59 o  215.585   6.0897  126.512   7.0622  142.783   10.563  113.358   9.4970  228.025   8.5726  203.145   8.6515 24.88036 12.17936 
1 1 1  -11    2   60 o   37.103   11.662  -6.5393   5.2698   3.7153   7.5595 -16.2336   7.3501   47.188   19.099   27.019   13.388 20.16908 23.32401 
1 1 1  -11    2   61 o  198.287   8.0217  112.884   8.1101  120.098   10.149  100.135   13.491  208.534   9.0062  188.039   13.277 20.49567 16.04350 
1 1 1  -11    2   62 o  123.514   10.662   41.458   6.8329   53.694   11.860   35.379   8.3597  135.767   16.167  111.261   13.905 24.50592 21.32362 
1 1 1  -11    2   63 o   64.298   15.740   12.588   6.4933   11.119   11.441   13.286   7.8865   63.201   24.109   65.396   20.243 -2.195099 31.48075 
1 1 1  -11    2   64 o  102.548   14.374   37.606   7.1395   21.685   12.647   45.052   8.6493   79.501   25.769  125.595   12.745 -46.09333 28.74810 
1 1 1  -11    2   65 o  167.425   9.4723   80.781   8.1083   78.965   9.9503   84.369   13.989  166.588   11.054  168.261   15.386 -1.672729 18.94455 
1 1 1  -11    2   66 o   69.360   15.082   11.767   7.1276   0.6349   9.0287   30.180   11.612   44.440   19.519   94.279   22.998 -49.83881 30.16450 
1 1 1  -11    2   67 o   36.695   12.215  -7.0400   6.2724  -3.4119   9.0541 -10.3882   8.6977   39.911   18.341   33.478   16.137 6.433067 24.42975 
1 1 1  -11    2   68 o  194.086   7.3016  108.579   7.6498  115.279   11.077  102.471   10.577  199.883   10.256  188.289   10.396 11.59428 14.60311 
1 1 1  -11    2   69 o  109.335   11.883   38.848   6.6457   29.583   9.3689   48.230   9.4283   92.875   19.298  125.796   13.870 -32.92114 23.76573 
1 1 1  -11    3    1 o  1524.46   18.126  6296.34  149.243  6184.02  207.166  6417.54  215.187  1510.38   25.383  1538.53   25.883 -28.15161 36.25261 
1 1 1  -11    3    2 o  999.229   11.998  2701.63   64.781  2709.18   91.893  2694.17   91.338  1000.61   16.995  997.843   16.940 2.771790 23.99565 
1 1 1  -11    3    3 o  871.241   10.529  2053.13   49.569  2061.95   70.424  2044.47   69.784  873.092   14.927  869.390   14.854 3.702393 21.05861 
1 1 1  -11    3    4 o  528.179   6.6889  753.819   19.085  764.750   27.388  743.500   26.610  531.898   9.5289  524.460   9.3896 7.438232 13.37775 
1 1 1  -11    3    5 o  820.720   9.9565  1821.76   44.155  1826.31   62.632  1817.27   62.260  821.737   14.105  819.703   14.056 2.034180 19.91292 
1 1 1  -11    3    6 o  681.953   8.3915  1257.39   30.922  1264.44   44.001  1250.50   43.463  683.841   11.908  680.065   11.827 3.775574 16.78307 
1 1 1  -11    3    7 o  389.688   5.2552  410.411   11.066  408.107   15.610  412.738   15.689  388.589   7.4341  390.787   7.4298 -2.198334 10.51037 
1 1 1  -11    3    8 o  1209.58   14.447  3961.69   94.402  3908.35  131.644  4018.15  135.448  1201.22   20.281  1217.93   20.581 -16.71082 28.89443 
1 1 1  -11    3    9 o  1468.35   17.485  5850.35  138.732  5835.85  195.663  5865.01  196.735  1466.53   24.691  1470.17   24.764 -3.640259 34.96998 
1 1 1  -11    3   10 o  384.486   5.2219  399.595   10.849  398.632   15.360  400.554   15.326  384.023   7.4018  384.948   7.3679 -0.9255066 10.44379 
1 1 1  -11    3   11 o  612.844   7.6402  1015.34   25.291  996.985   35.164  1035.00   36.402  607.117   10.719  618.572   10.891 -11.45514 15.28045 
1 1 1  -11    3   12 o  891.869   10.792  2153.85   51.999  2128.12   72.654  2180.87   74.454  886.422   15.168  897.315   15.355 -10.89270 21.58359 
1 1 1  -11    3   13 o  666.603   8.2544  1202.36   29.733  1200.05   42.021  1204.67   42.078  665.964   11.677  667.243   11.670 -1.279846 16.50889 
1 1 1  -11    3   14 o  451.421   5.9239  551.016   14.450  550.541   20.447  551.489   20.425  451.227   8.3859  451.616   8.3695 -0.3888245 11.84787 
1 1 1  -11    3   15 o  788.044   9.6210  1681.40   40.968  1689.83   58.257  1673.16   57.622  789.993   13.647  786.096   13.565 3.897095 19.24207 
1 1 1  -11    3   16 o  323.575   4.7425  281.808   8.2692  267.286   11.196  299.239   12.266  314.445   6.5891  332.704   6.8228 -18.25882 9.485050 
1 1 1  -11    3   17 o  902.310   21.946  2213.06  107.006   0.0000   0.0000  2213.06  107.006  ?   ?   902.310   21.946      ?      ? 
1 1 1  -11    3   19 o  518.410   13.303  727.928   37.265   0.0000   0.0000  727.928   37.265  ?   ?   518.410   13.303      ?      ? 
1 1 1  -11    3   20 o  939.240   11.378  2392.19   57.738  2415.09   82.511  2370.22   80.823  943.624   16.182  934.857   15.999 8.767273 22.75571 
1 1 1  -11    3   21 o  372.928   5.2215  375.823   10.517  382.890   15.155  369.258   14.608  376.305   7.4529  369.550   7.3151 6.754578 10.44302 
1 1 1  -11    3   22 o  536.809   6.8790  779.389   19.951  788.129   28.515  771.007   27.924  539.753   9.7767  533.865   9.6797 5.888672 13.75791 
1 1 1  -11    3   23 o  864.164   10.517  2023.42   49.112  2022.33   69.421  2024.52   69.490  863.931   14.870  864.398   14.877 -0.4670410 21.03470 
1 1 1  -11    3   24 o  941.828   11.410  2403.56   58.061  2383.35   81.396  2424.50   82.844  937.810   16.062  945.845   16.209 -8.035156 22.81928 
1 1 1  -11    3   25 o  454.402   6.0632  558.256   14.887  562.625   21.207  554.013   20.902  456.153   8.6036  452.651   8.5457 3.502136 12.12642 
1 1 1  -11    3   26 f  446.960   6.0096  540.017   14.512  532.711   20.311  547.637   20.743  443.873   8.4681  450.047   8.5296 -6.173218 12.01929 
1 1 1  -11    3   27 o  531.301   6.8786  763.283   19.747  757.674   27.753  769.034   28.104  529.325   9.7027  533.276   9.7529 -3.950989 13.75724 
1 1 1  -11    3   28 o  281.304   4.6840  213.792   7.1185  209.561   9.9434  218.240   10.196  278.450   6.6085  284.157   6.6400 -5.706573 9.368087 
1 1 1  -11    3   29 o   88.253   7.2992   21.160   3.4607   19.932   5.0848   22.221   4.7236   85.850   10.961   90.655   9.6425 -4.804909 14.59847 
1 1 1  -11    3   30 o  639.863   8.0556  1107.38   27.853  1106.73   39.366  1108.03   39.415  639.675   11.389  640.051   11.396 -0.3754272 16.11120 
1 1 1  -11    3   31 o  783.240   9.6477  1659.54   40.821  1635.41   56.910  1685.12   58.586  777.386   13.548  789.095   13.740 -11.70898 19.29545 
1 1 1  -11    3   32 o  1016.82   12.294  2800.94   67.551  2806.01   95.767  2795.91   95.298  1017.74   17.414  1015.91   17.360 1.825562 24.58852 
1 1 1  -11    3   33 o  1408.29   16.850  5386.15  128.222  5410.70  182.198  5362.07  180.482  1411.45   23.888  1405.13   23.770 6.320801 33.69971 
1 1 1  -11    3   34 o   71.746   11.028   14.627   4.4119   6.4433   6.2553   22.729   6.2236   51.848   18.124   91.644   12.567 -39.79673 22.05501 
1 1 1  -11    3   35 o  1108.61   13.383  3334.69   80.171  3337.46  113.492  3331.93  113.267  1109.07   18.937  1108.16   18.915 0.9123535 26.76591 
1 1 1  -11    3   36 o  322.906   7.9254  281.927   13.829   0.0000   0.0000  281.927   13.829  ?   ?   322.906   7.9254      ?      ? 
1 1 1  -11    3   37 o  603.972   7.8295  987.043   25.552  982.912   35.977  991.248   36.297  602.699   11.047  605.245   11.098 -2.546082 15.65905 
1 1 1  -11    3   38 o  465.233   6.5501  585.168   16.460  575.006   22.892  596.046   23.685  461.058   9.1882  469.408   9.3375 -8.350189 13.10011 
1 1 1  -11    3   39 o  144.831   8.2766   57.190   6.3842   45.659   8.9539   69.114   9.1052  129.848   12.761  159.814   10.544 -29.96521 16.55330 
1 1 1  -11    3   40 o  329.744   5.7952  294.110   10.322  294.460   14.820  293.780   14.384  329.929   8.3126  329.559   8.0771 0.3701172 11.59045 
1 1 1  -11    3   41 o  514.820   7.0215  717.381   19.533  716.212   27.639  718.548   27.609  514.399   9.9434  515.240   9.9163 -0.8406372 14.04292 
1 1 1  -11    3   42 o  594.119   7.7796  956.307   24.975  958.459   35.457  954.189   35.184  594.777   11.032  593.460   10.972 1.317383 15.55910 
1 1 1  -11    3   43 o  508.621   6.9520  700.193   19.094  715.157   27.613  686.480   26.433  513.810   9.9454  503.433   9.7166 10.37698 13.90410 
1 1 1  -11    3   44 o  681.464   8.6797  1260.15   31.960  1266.71   45.532  1253.77   44.871  683.201   12.333  679.728   12.216 3.472656 17.35945 
1 1 1  -11    3   45 o  592.791   7.7747  953.105   24.896  966.235   35.759  940.755   34.682  596.730   11.090  588.852   10.900 7.877808 15.54938 
1 1 1  -11    3   46 o  234.899   8.1416  149.825   10.325  151.712   14.960  148.108   14.268  236.288   11.717  233.510   11.307 2.777496 16.28311 
1 1 1  -11    3   48 o  173.341   14.634   82.185   13.707   82.185   13.707   0.0000   0.0000  173.341   14.634  ?   ?       ?      ? 
1 1 1  -11    3   49 o  554.083   9.2963  822.763   25.481  878.378   47.285  800.005   30.248  565.865   15.464  542.302   10.322 23.56262 18.59267 
1 1 1  -11    3   50 o  342.421   5.7576  318.309   10.653  315.763   15.108  320.827   15.023  341.048   8.1977  343.794   8.0869 -2.745972 11.51522 
1 1 1  -11    3   51 o  110.655   9.0171   33.550   5.3627   38.271   7.7119   29.129   7.4622  118.274   12.067  103.036   13.403 15.23862 18.03419 
1 1 1  -11    3   52 o  129.198   7.8925   45.469   5.4145   57.842   7.9699   34.863   7.3787  145.598   10.130  112.799   12.106 32.79844 15.78493 
1 1 1  -11    3   53 o  131.971   7.7128   47.687   5.4914   46.991   7.9609   48.319   7.5848  130.999   11.246  132.943   10.558 -1.943359 15.42564 
1 1 1  -11    3   54 o  137.313   7.5805   51.902   5.5940   45.970   7.9404   57.746   7.8822  129.370   11.358  145.256   10.042 -15.88556 15.16108 
1 1 1  -11    3   55 o   86.735   11.570   22.419   5.2016   12.070   7.3663   32.711   7.3461   64.634   19.479  108.836   12.491 -44.20148 23.14029 
1 1 1  -11    3   56 o   81.336   11.877   20.050   5.2253   9.5788   7.5253   29.798   7.2612   59.034   19.904  103.638   12.966 -44.60431 23.75441 
1 1 1  -11    3   57 o  149.123   7.2845   61.368   5.8558   56.757   8.3034   65.931   8.2594  143.424   10.714  154.823   9.8725 -11.39931 14.56893 
1 1 1  -11    3   58 o   90.336   11.414   23.468   5.3745   30.237   7.9160   17.680   7.3204  103.685   14.129   76.988   17.930 26.69643 22.82801 
1 1 1  -11    3   59 o   36.499   11.601  -4.6123   5.0067   1.5537   7.3228 -10.0248   6.8608   43.460   18.300   29.538   14.261 13.92192 23.20118 
1 1 1  -11    3   60 o  244.020   7.2398  166.977   9.0786  171.628   11.323  158.604   15.192  249.856   8.3863  238.183   11.804 11.67274 14.47960 
1 1 1  -11    3   61 o   57.070   13.993   8.0188   5.7051   14.951   8.3226   1.8736   7.8359   69.436   20.656   44.703   18.883 24.73282 27.98620 
1 1 1  -11    3   62 o  170.161   8.7986   82.352   7.3456   80.518   13.455   83.131   8.7675  167.172   14.895  173.150   9.3706 -5.977859 17.59718 
1 1 1  -11    3   63 o  201.813   6.6273  113.301   7.2136  105.677   10.217  120.880   10.187  194.834   9.7040  208.791   9.0287 -13.95723 13.25466 
1 1 1  -11    3   64 o   55.853   14.685   8.0056   6.0306   12.518   9.0267   4.3680   8.1047   63.431   21.795   48.274   19.687 15.15745 29.36989 
1 1 1  -11    3   65 o   38.785   12.994  -7.1961   6.9682 -13.5158   12.529  -4.3661   8.3845   39.978   19.295   37.591   17.409 2.386913 25.98743 
1 1 1  -11    3   66 o   97.545   14.451   31.484   7.2476   34.226   9.1592   26.892   11.854  107.158   15.818   87.932   24.189 19.22619 28.90195 
1 1 1  -11    3   67 o  114.535   10.907   39.629   6.7494   39.542   9.4597   39.719   9.6328  114.514   15.287  114.556   15.561 -0.4146576E-01 21.81410 
1 1 1  -11    3   68 o  192.169   7.2575  106.184   7.5362  105.649   10.620  106.726   10.696  191.695   10.252  192.643   10.275 -0.9485779 14.51500 
1 1 1  -11    3   69 o   98.294   12.662   31.912   6.4887   41.041   9.5680   24.138   8.8294  114.081   15.521   82.506   20.010 31.57534 25.32380 
1 1 1  -11    4    1 o  252.056   4.0733  171.528   5.5451  164.507   7.7192  179.014   7.9706  246.731   5.7898  257.381   5.7310 -10.64986 8.146508 
1 1 1  -11    4    2 o  145.931   3.6674   57.545   2.8904   57.591   4.1570   57.501   4.0216  145.988   5.2695  145.874   5.1020 0.1136169 7.334699 
1 1 1  -11    4    3 o  331.175   4.7160  296.230   8.4354  301.543   12.160  291.301   11.712  334.035   6.7366  328.315   6.6016 5.719910 9.431960 
1 1 1  -11    4    4 o  539.555   6.8304  786.461   19.906  770.835   27.653  803.265   28.677  533.999   9.5832  545.111   9.7355 -11.11267 13.66080 
1 1 1  -11    4    5 o  1066.15   12.785  3076.59   73.649  3052.69  103.345  3101.26  104.985  1061.94   18.009  1070.34   18.152 -8.399658 25.56986 
1 1 1  -11    4    6 o  292.667   4.3980  231.238   6.9499  237.276   10.072  225.751   9.6019  296.309   6.2907  289.025   6.1480 7.284637 8.796057 
1 1 1  -11    4    7 o  767.607   9.3705  1593.44   38.860  1572.90   54.283  1615.03   55.654  762.539   13.174  772.675   13.329 -10.13556 18.74106 
1 1 1  -11    4    8 o  474.159   6.1501  607.702   15.756  600.859   22.087  614.793   22.483  471.442   8.6700  476.875   8.7251 -5.433197 12.30023 
1 1 1  -11    4    9 o  970.537   11.700  2550.23   61.339  2511.77   85.468  2591.07   88.085  963.013   16.424  978.060   16.667 -15.04712 23.39927 
1 1 1  -11    4   10 o  985.489   11.884  2631.47   63.283  2630.42   89.484  2632.52   89.507  985.292   16.807  985.686   16.805 -0.3942261 23.76711 
1 1 1  -11    4   11 o  852.690   10.357  1968.92   47.719  1965.97   67.402  1971.88   67.569  852.052   14.639  853.329   14.654 -1.277222 20.71312 
1 1 1  -11    4   12 o  474.135   6.1742  607.653   15.815  597.355   22.076  618.509   22.667  470.012   8.6922  478.258   8.7709 -8.246155 12.34840 
1 1 1  -11    4   13 o  215.794   3.9379  125.818   4.5895  127.071   6.6128  124.654   6.3747  216.829   5.6439  214.759   5.4932 2.069595 7.875839 
1 1 1  -11    4   14 o  414.746   5.5728  465.035   12.488  468.359   17.824  461.830   17.502  416.200   7.9251  413.293   7.8369 2.907623 11.14563 
1 1 1  -11    4   15 o  369.357   5.1472  368.829   10.273  367.923   14.511  369.740   14.546  368.902   7.2794  369.812   7.2790 -0.9096680 10.29434 
1 1 1  -11    4   16 o  334.644   9.7392  302.928   17.611   0.0000   0.0000  302.928   17.611  ?   ?   334.644   9.7392      ?      ? 
1 1 1  -11    4   19 o  604.506   9.3300  985.471   28.588  977.313   34.775  1002.48   50.211  600.927   10.709  608.084   15.281 -7.157104 18.65997 
1 1 1  -11    4   20 f  164.750   4.1350   73.380   3.6776   69.184   5.1691   77.681   5.2333  159.978   5.9795  169.522   5.7129 -9.544113 8.269968 
1 1 1  -11    4   21 o  557.721   7.1043  841.517   21.410  836.964   30.138  846.157   30.420  556.199   10.028  559.242   10.066 -3.043335 14.20862 
1 1 1  -11    4   22 o  738.533   9.0980  1476.80   36.307  1469.22   51.123  1484.51   51.572  736.623   12.843  740.442   12.889 -3.818665 18.19595 
1 1 1  -11    4   23 o  558.732   7.1389  843.714   21.539  823.979   29.795  865.317   31.173  551.902   9.9905  565.562   10.200 -13.66016 14.27772 
1 1 1  -11    4   24 o  332.891   4.9683  299.487   8.9355  303.733   12.786  295.433   12.492  335.196   7.0592  330.586   6.9931 4.609833 9.936584 
1 1 1  -11    4   25 o  855.268   10.427  1980.23   48.179  1955.20   67.302  2006.54   69.000  849.737   14.657  860.799   14.834 -11.06134 20.85389 
1 1 1  -11    4   26 o  432.988   5.8841  506.817   13.766  501.875   19.326  511.908   19.614  430.846   8.3010  435.130   8.3418 -4.283752 11.76825 
1 1 1  -11    4   27 o  659.226   8.2524  1175.50   29.396  1168.51   41.356  1182.64   41.792  657.247   11.645  661.205   11.697 -3.957642 16.50484 
1 1 1  -11    4   28 o  557.134   7.1700  839.321   21.585  840.313   30.629  838.343   30.425  557.460   10.168  556.808   10.112 0.6514282 14.34001 
1 1 1  -11    4   29 o  1117.07   13.433  3379.90   81.062  3334.33  113.060  3428.10  116.285  1109.35   18.860  1124.80   19.132 -15.44458 26.86546 
1 1 1  -11    4   30 o  965.748   11.702  2525.61   61.063  2508.94   85.808  2542.71   86.915  962.527   16.498  968.969   16.600 -6.441833 23.40357 
1 1 1  -11    4   31 o  116.854   6.4026   36.975   4.0365   35.505   5.7941   38.361   5.6266  114.591   9.3572  119.116   8.7415 -4.525200 12.80517 
1 1 1  -11    4   32 o  778.768   9.6056  1641.13   40.419  1653.56   57.597  1629.06   56.735  781.669   13.636  775.867   13.532 5.802246 19.21119 
1 1 1  -11    4   33 o  762.806   9.4525  1573.77   38.942  1605.11   56.177  1544.77   54.031  770.100   13.500  755.513   13.235 14.58716 18.90499 
1 1 1  -11    4   34 o  836.738   10.285  1895.77   46.498  1880.28   65.263  1911.73   66.265  833.275   14.494  840.202   14.595 -6.926880 20.56952 
1 1 1  -11    4   35 o  159.442   6.5179   68.684   5.6111   70.494   8.1346   67.040   7.7500  161.443   9.3246  157.442   9.1094 4.000595 13.03573 
1 1 1  -11    4   36 o  856.214   10.548  1985.91   48.803  1990.65   69.285  1981.25   68.752  857.222   14.958  855.206   14.877 2.015808 21.09658 
1 1 1  -11    4   37 o  985.444   11.998  2633.58   63.890  2635.64   90.438  2631.53   90.271  985.827   16.977  985.061   16.959 0.7662964 23.99629 
1 1 1  -11    4   38 o  116.133   9.4079   36.782   5.8601   33.724   8.5907   39.442   8.0141  111.568   14.250  120.698   12.288 -9.130325 18.81577 
1 1 1  -11    4   39 o  1069.01   12.975  3102.37   74.937  3139.51  107.315  3067.02  104.688  1075.22   18.470  1062.80   18.229 12.41565 25.95073 
1 1 1  -11    4   40 o  398.649   6.1310  429.927   13.207  435.123   18.769  424.832   18.587  401.035   8.6609  396.263   8.6801 4.772156 12.26195 
1 1 1  -11    4   41 o  857.909   10.595  1997.00   49.115  2004.11   69.767  1990.00   69.156  859.415   15.023  856.404   14.944 3.011719 21.18989 
1 1 1  -11    4   42 o  211.655   6.1380  121.267   7.0188  120.911   10.015  121.611   9.8390  211.346   8.7698  211.964   8.5901 -0.6187439 12.27598 
1 1 1  -11    4   43 o  379.346   5.9833  389.442   12.262  394.805   17.565  384.344   17.126  381.888   8.5116  376.803   8.4113 5.084564 11.96657 
1 1 1  -11    4   44 o  278.323   5.7110  209.857   8.5823  204.861   12.290  214.612   11.990  275.075   8.2680  281.572   7.8804 -6.496857 11.42195 
1 1 1  -11    4   45 o  310.852   7.0316  259.255   11.038  269.820   19.630  254.370   13.349  315.239   11.524  306.465   8.0607 8.773926 14.06310 
1 1 1  -11    4   46 f  513.623   9.8936  718.694   27.458  727.027   39.098  710.586   38.569  516.555   14.007  510.691   13.976 5.864807 19.78728 
1 1 1  -11    4   48 o  233.884   8.2193  148.133   10.355  160.698   15.402  137.770   13.988  242.862   11.737  224.906   11.510 17.95595 16.43856 
1 1 1  -11    4   49 o  292.007   7.1363  225.907   10.319  246.847   19.225  217.433   12.230  300.912   11.823  283.102   7.9948 17.81082 14.27256 
1 1 1  -11    4   50 o  142.794   7.4378   55.551   5.7365   55.355   8.2289   55.736   8.0013  142.531   10.684  143.058   10.350 -0.5267944 14.87562 
1 1 1  -11    4   51 o  149.558   7.0818   61.132   5.7083   57.303   8.1813   64.765   7.9685  144.924   10.447  154.193   9.5637 -9.268738 14.16351 
1 1 1  -11    4   52 o   67.916   12.870   12.791   5.1510   20.094   7.5042   6.2840   7.0832   83.600   17.186   52.232   19.162 31.36746 25.73970 
1 1 1  -11    4   53 o   91.156   11.378   23.887   5.3057   34.483   7.7143   14.375   7.3089  111.968   12.750   70.343   18.848 41.62518 22.75523 
1 1 1  -11    4   54 o  367.685   5.8986  368.578   11.716  370.979   16.798  366.304   16.349  368.816   8.4285  366.555   8.2542 2.260925 11.79711 
1 1 1  -11    4   55 o  268.127   5.6537  196.170   8.1856  190.486   11.676  201.663   11.479  264.249   8.1773  272.005   7.8095 -7.756622 11.30736 
1 1 1  -11    4   56 o  211.523   5.9707  122.601   6.8079  114.860   9.7376  130.002   9.5216  204.871   8.7959  218.174   8.0765 -13.30312 11.94142 
1 1 1  -11    4   57 o  169.563   6.5954   78.800   6.0320   81.216   8.8512   76.705   8.2425  171.926   9.5273  167.199   9.1230 4.727173 13.19085 
1 1 1  -11    4   58 o  212.715   6.0951  124.488   6.9852  114.623   9.9405  134.111   9.8179  204.218   9.0080  221.213   8.2133 -16.99515 12.19028 
1 1 1  -11    4   59 o  161.928   8.5264   72.205   7.1519   69.831   8.8677   76.622   12.097  158.858   10.330  164.997   13.568 -6.139175 17.05272 
1 1 1  -11    4   60 o  238.621   7.3602  161.501   9.0680  171.270   11.486  145.338   14.775  249.469   8.5203  227.773   12.004 21.69591 14.72048 
1 1 1  -11    4   61 o   67.162   15.310   14.170   6.2976   10.755   10.977   15.846   7.6887   62.753   23.692   71.572   19.396 -8.818596 30.61935 
1 1 1  -11    4   62 o   37.131   12.010  -3.9500   5.4327  -5.7905   7.7644  -2.1846   7.6042   35.486   16.542   38.776   17.417 -3.290005 24.02054 
1 1 1  -11    4   63 f  136.291   8.3237   52.336   6.1086   54.668   9.0971   50.420   8.2436  138.863   12.124  133.719   11.409 5.144180 16.64746 
1 1 1  -11    4   64 o  211.223   6.6132  124.632   7.5295  117.474   10.798  131.405   10.505  205.029   9.7463  217.417   8.9413 -12.38838 13.22636 
1 1 1  -11    4   65 f  130.837   12.735   56.755   7.4722   44.099   13.602   62.225   8.9423  114.032   22.870  147.642   11.209 -33.61046 25.46937 
1 1 1  -11    4   66 o  152.842   15.671   69.437   12.943   69.437   12.943   0.0000   0.0000  152.842   15.671  ?   ?       ?      ? 
1 1 1  -11    4   67 o  180.563   8.9969   90.187   8.3991   76.696   10.226  118.153   14.724  162.338   11.658  198.788   13.707 -36.44954 17.99372 
1 1 1  -11    4   68 o   40.653   13.052  -1.5626   6.2956  -4.3559   9.0237   1.0865   8.7876   38.187   17.811   43.119   19.084 -4.932312 26.10448 
1 1 1  -11    4   69 f  126.110   9.7251   48.827   6.6236   49.762   9.5563   47.963   9.1888  127.092   13.915  125.129   13.590 1.963081 19.45020 
1 1 1  -11    5    1 o  709.730   8.7354  1362.32   33.500  1367.39   47.608  1357.35   47.149  711.036   12.391  708.423   12.317 2.612732 17.47087 
1 1 1  -11    5    2 o  330.082   4.7667  294.476   8.5019  292.800   12.045  296.140   12.002  329.146   6.7722  331.019   6.7100 -1.873047 9.533403 
1 1 1  -11    5    3 o  883.479   10.696  2112.25   51.063  2113.53   72.281  2110.96   72.148  883.747   15.136  883.211   15.117 0.5360718 21.39219 
1 1 1  -11    5    4 o  477.238   8.8004  615.707   22.695  615.707   22.695   0.0000   0.0000  477.238   8.8004  ?   ?       ?      ? 
1 1 1  -11    5    5 o  620.233   7.7398  1039.91   25.931  1056.29   37.261  1024.53   36.110  624.962   11.034  615.504   10.857 9.457886 15.47959 
1 1 1  -11    5    6 o  657.641   8.1543  1169.72   28.975  1178.46   41.328  1161.28   40.634  660.052   11.587  655.229   11.476 4.822083 16.30858 
1 1 1  -11    5    7 o  187.562   3.8679   95.088   3.9189   94.544   5.6042   95.609   5.4822  187.036   5.5450  188.088   5.3940 -1.051620 7.735762 
1 1 1  -11    5    8 o  700.102   8.6295  1326.27   32.646  1323.27   46.103  1329.28   46.234  699.308   12.200  700.895   12.207 -1.586670 17.25893 
1 1 1  -11    5    9 o  562.122   7.1126  854.560   21.604  847.059   30.356  862.258   30.752  559.624   10.038  564.620   10.079 -4.995667 14.22528 
1 1 1  -11    5   10 o  652.003   8.1020  1149.99   28.541  1161.38   40.776  1139.06   39.962  655.161   11.518  648.844   11.398 6.316589 16.20409 
1 1 1  -11    5   11 o  812.386   9.9042  1786.98   43.478  1786.91   61.539  1787.06   61.436  812.367   14.019  812.405   13.995 -0.3747559E-01 19.80835 
1 1 1  -11    5   12 o  627.400   7.8365  1064.71   26.562  1077.90   38.057  1052.19   37.090  631.182   11.158  623.619   11.007 7.563477 15.67306 
1 1 1  -11    5   13 o  798.154   9.7514  1725.03   42.057  1722.31   59.429  1727.74   59.527  797.526   13.790  798.782   13.791 -1.255737 19.50279 
1 1 1  -11    5   14 o  351.179   5.0208  332.499   9.5112  318.545   12.992  348.617   13.962  343.263   7.0041  359.095   7.1955 -15.83160 10.04159 
1 1 1  -11    5   15 o  331.048   6.8787  296.271   12.301  288.288   17.150  304.730   17.655  326.458   9.7217  335.638   9.7343 -9.179565 13.75748 
1 1 1  -11    5   18 o  434.932   7.1459  508.401   15.763  501.973   19.165  521.847   27.716  430.819   8.2323  439.044   11.683 -8.224854 14.29175 
1 1 1  -11    5   19 o  167.846   4.0985   76.190   3.7152   73.456   5.2646   78.901   5.2436  164.844   5.9103  170.849   5.6797 -6.004608 8.196982 
1 1 1  -11    5   20 o  848.084   10.341  1948.63   47.383  1930.30   66.407  1967.65   67.629  844.031   14.560  852.136   14.687 -8.105652 20.68117 
1 1 1  -11    5   21 o  558.102   7.1257  842.638   21.488  846.659   30.579  838.715   30.203  559.414   10.116  556.789   10.038 2.625122 14.25132 
1 1 1  -11    5   22 o  356.300   5.1524  343.064   9.9174  336.095   13.833  350.434   14.226  352.580   7.2604  360.021   7.3126 -7.440643 10.30476 
1 1 1  -11    5   23 o  595.143   7.5400  958.187   24.248  955.050   34.204  961.357   34.381  594.165   10.653  596.122   10.673 -1.957153 15.08007 
1 1 1  -11    5   24 o  428.597   5.8456  496.578   13.537  489.645   18.992  503.739   19.301  425.556   8.2588  431.637   8.2751 -6.080536 11.69128 
1 1 1  -11    5   25 o  822.240   10.057  1830.26   44.683  1839.81   63.572  1820.94   62.817  824.354   14.271  820.126   14.175 4.227844 20.11444 
1 1 1  -11    5   26 o  602.023   7.6251  979.807   24.797  963.234   34.526  997.465   35.637  596.772   10.706  607.274   10.860 -10.50214 15.25013 
1 1 1  -11    5   27 o  364.630   5.3325  359.329   10.505  362.198   15.038  356.596   14.680  366.050   7.6027  363.211   7.4794 2.839050 10.66504 
1 1 1  -11    5   28 o  996.707   12.051  2689.68   64.899  2715.46   92.675  2664.87   90.912  1001.38   17.127  992.032   16.959 9.349731 24.10287 
1 1 1  -11    5   29 o  806.466   9.8933  1760.07   43.114  1758.41   60.980  1761.73   60.963  806.084   14.000  806.847   13.983 -0.7622681 19.78658 
1 1 1  -11    5   30 o  285.327   4.8966  220.049   7.5496  220.936   10.698  219.169   10.656  285.900   6.9247  284.754   6.9250 1.145752 9.793174 
1 1 1  -11    5   31 o  424.990   5.9667  488.241   13.701  492.504   19.540  484.118   19.217  426.814   8.4722  423.167   8.4039 3.647034 11.93330 
1 1 1  -11    5   32 o  228.501   5.0211  140.895   6.1944  134.079   8.5647  148.372   8.9697  222.716   7.1166  234.287   7.0851 -11.57086 10.04215 
1 1 1  -11    5   33 o  150.823   6.2258   61.679   5.0579   66.666   7.1059   56.558   7.2010  157.025   8.3745  144.621   9.2146 12.40471 12.45156 
1 1 1  -11    5   34 o  604.682   7.7853  988.932   25.431  1003.07   36.508  975.607   35.445  608.872   11.096  600.493   10.923 8.379333 15.57066 
1 1 1  -11    5   35 o  741.643   9.2612  1489.19   37.115  1490.58   52.554  1487.80   52.424  741.987   13.108  741.299   13.087 0.6887207 18.52245 
1 1 1  -11    5   36 o  732.778   9.1988  1452.71   36.404  1483.59   52.556  1424.22   50.474  740.245   13.139  725.312   12.878 14.93353 18.39768 
1 1 1  -11    5   37 o  259.158   5.8358  181.623   8.1717  181.087   11.470  182.175   11.645  258.771   8.2030  259.544   8.3029 -0.7738037 11.67169 
1 1 1  -11    5   38 o  918.873   11.265  2289.21   55.934  2287.85   79.093  2290.56   79.113  918.601   15.934  919.145   15.929 -0.5441895 22.53019 
1 1 1  -11    5   39 o  256.228   5.9884  177.650   8.2856  185.823   11.745  169.551   11.691  262.103   8.2924  250.352   8.6417 11.75069 11.97683 
1 1 1  -11    5   40 o  446.355   6.4806  538.816   15.626  528.111   21.756  550.222   22.457  441.782   9.1135  450.928   9.2162 -9.145813 12.96127 
1 1 1  -11    5   41 o  348.056   5.8266  327.707   10.956  330.523   15.693  325.030   15.302  349.510   8.3094  346.602   8.1699 2.908508 11.65310 
1 1 1  -11    5   42 o  203.211   6.1403  111.789   6.7424  111.871   9.5653  111.708   9.5053  203.284   8.7078  203.138   8.6594 0.1464844 12.28052 
1 1 1  -11    5   43 o  538.447   7.2406  785.615   21.067  780.437   29.718  790.844   29.868  536.662   10.248  540.231   10.232 -3.569031 14.48118 
1 1 1  -11    5   44 o   58.488   13.273   7.9959   5.3672   0.3507   7.7761   14.952   7.4173   44.351   18.777   72.624   18.766 -28.27339 26.54675 
1 1 1  -11    5   45 o  224.970   8.0754  137.188   9.8031  142.162   14.332  132.815   13.439  228.777   11.593  221.163   11.245 7.614075 16.15080 
1 1 1  -11    5   46 o  323.693   7.9830  284.203   13.951  270.045   19.276  299.775   20.215  315.238   11.316  332.147   11.263 -16.90848 15.96608 
1 1 1  -11    5   47 o  246.702   8.4348  165.898   11.229  158.986   16.065  172.500   15.701  241.613   12.305  251.792   11.540 -10.17935 16.86954 
1 1 1  -11    5   48 o  154.630   10.318   63.993   8.5216   78.288   13.211   53.806   11.152  169.103   14.458  140.157   14.725 28.94650 20.63571 
1 1 1  -11    5   49 o  216.957   7.3597  122.606   7.9761  142.477   14.816  114.497   9.4647  228.551   11.997  205.364   8.5290 23.18748 14.71936 
1 1 1  -11    5   50 o  220.864   5.9039  132.641   7.0398  128.857   10.075  136.250   9.8410  217.753   8.5622  223.976   8.1311 -6.223358 11.80784 
1 1 1  -11    5   51 o  185.163   6.1310   93.412   6.1244   90.291   8.8202   96.318   8.5107  182.128   8.9622  188.197   8.3688 -6.069489 12.26201 
1 1 1  -11    5   52 o  414.566   6.2060  467.914   13.899  470.514   19.891  465.432   19.430  415.663   8.8560  413.470   8.6964 2.192688 12.41196 
1 1 1  -11    5   53 o  169.080   6.6838   78.191   6.0953   74.043   8.7171   82.160   8.5261  164.619   9.7995  173.542   9.0920 -8.922943 13.36766 
1 1 1  -11    5   54 o  192.398   6.1400  101.008   6.3805  102.091   9.1848   99.997   8.8701  193.370   8.7900  191.425   8.5752 1.945465 12.27998 
1 1 1  -11    5   55 o  312.591   5.7163  265.669   9.6336  279.623   14.221  253.833   13.097  320.100   8.2214  305.082   7.9444 15.01846 11.43257 
1 1 1  -11    5   56 o  168.341   6.7217   77.331   6.0867   82.313   9.1474   73.373   8.1537  173.102   9.7793  163.580   9.2244 9.522278 13.44337 
1 1 1  -11    5   57 o  106.558   9.6406   32.007   5.5024   28.058   7.9258   35.682   7.6450   99.871   14.686  113.246   12.493 -13.37467 19.28128 
1 1 1  -11    5   58 o   97.204   10.954   27.291   5.5621   22.857   7.7951   31.891   7.9390   87.966   17.014  106.443   13.803 -18.47669 21.90880 
1 1 1  -11    5   59 o   86.828   14.507   23.181   6.4498   23.506   7.9308   22.545   11.084   89.057   17.102   84.599   23.439 4.458298 29.01438 
1 1 1  -11    5   60 o  157.116   9.1268   62.732   7.0979   87.838   13.782   53.669   8.2805  175.500   14.532  138.732   11.046 36.76859 18.25364 
1 1 1  -11    5   61 o  256.405   7.5644  184.072   9.5570  182.207   17.472  184.868   11.416  253.737   12.743  259.073   8.1549 -5.335175 15.12883 
1 1 1  -11    5   62 o  276.452   5.9933  210.520   8.9366  217.107   13.115  204.811   12.210  280.355   8.6572  272.548   8.2905 7.807159 11.98662 
1 1 1  -11    5   63 o  221.089   6.3577  135.583   7.5861  139.305   11.059  132.276   10.426  223.848   9.1428  218.330   8.8369 5.518661 12.71542 
1 1 1  -11    5   64 o   45.511   13.381   2.4999   5.6773  -2.3472   8.4329   6.5179   7.6779   40.118   18.151   50.904   19.665 -10.78621 26.76148 
1 1 1  -11    5   65 o  136.429   8.9702   53.727   6.5929   55.346   9.7614   52.369   8.9402  138.024   13.088  134.833   12.271 3.190598 17.94036 
1 1 1  -11    5   66 o  121.745   13.255   50.314   7.5264   32.500   12.312   60.943   9.5104   97.581   23.606  145.909   12.062 -48.32798 26.50930 
1 1 1  -11    5   67 o   62.199   16.427   14.007   7.2552   12.226   9.2210   16.901   11.755   58.769   21.809   65.629   24.571 -6.860062 32.85351 
1 1 1  -11    5   68 o  170.924   9.2883   87.797   8.1714   90.772   10.276   82.680   13.477  177.504   10.713  164.343   15.176 13.16154 18.57651 
1 1 1  -11    5   69 o   71.475   14.428   18.616   6.1916   26.644   9.0825   11.646   8.4627   86.333   19.880   56.616   20.916 29.71761 28.85630 
1 1 1  -11    6    1 o  677.844   8.4035  1242.96   30.778  1231.09   43.185  1255.22   43.878  674.557   11.847  681.130   11.921 -6.572754 16.80709 
1 1 1  -11    6    2 o  374.651   5.2183  379.388   10.563  382.284   15.091  376.607   14.790  376.052   7.4265  373.251   7.3328 2.799988 10.43662 
1 1 1  -11    6    3 o  937.251   11.343  2379.38   57.445  2369.99   80.960  2388.90   81.522  935.392   16.017  939.109   16.065 -3.717346 22.68536 
1 1 1  -11    6    5 f  775.296   9.5003  1626.49   39.790  1650.14   57.093  1604.16   55.484  780.762   13.533  769.829   13.338 10.93292 19.00063 
1 1 1  -11    6    6 o  832.537   10.144  1876.63   45.634  1888.02   64.984  1865.56   64.097  835.020   14.402  830.053   14.290 4.967224 20.28868 
1 1 1  -11    6    7 o  858.302   10.437  1994.72   48.399  1975.12   67.839  2015.04   69.071  854.016   14.700  862.589   14.819 -8.572571 20.87314 
1 1 1  -11    6    8 o  529.927   6.8000  759.334   19.468  767.048   27.867  751.981   27.209  532.551   9.6838  527.302   9.5490 5.248718 13.60002 
1 1 1  -11    6    9 o  390.567   5.3744  412.029   11.334  421.936   16.408  402.986   15.676  395.050   7.6863  386.083   7.5137 8.967285 10.74872 
1 1 1  -11    6   10 o  452.256   5.9956  552.880   14.650  543.295   20.476  562.930   20.968  448.243   8.4535  456.269   8.5046 -8.025787 11.99123 
1 1 1  -11    6   11 o  245.825   4.2869  163.355   5.6926  162.771   8.1507  163.912   7.9539  245.394   6.1467  246.256   5.9773 -0.8616028 8.573825 
1 1 1  -11    6   12 o  477.839   6.2597  617.448   16.163  611.826   22.753  623.175   22.963  475.643   8.8524  480.034   8.8527 -4.391296 12.51940 
1 1 1  -11    6   13 f  607.143   9.3694  997.785   28.994  997.127   35.525  999.099   50.179  607.061   10.830  607.226   15.293 -0.1645508 18.73879 
1 1 1  -11    6   14 o  508.415   9.3599  699.649   25.708  687.162   35.870  712.838   36.864  503.758   13.177  513.073   13.296 -9.314819 18.71984 
1 1 1  -11    6   17 o  534.634   8.4212  769.883   22.864  762.286   27.851  785.586   40.042  530.797   9.7103  538.471   13.761 -7.674316 16.84232 
1 1 1  -11    6   18 o  248.758   4.3559  167.320   5.8525  165.963   8.3861  168.608   8.1715  247.773   6.2635  249.744   6.0550 -1.971313 8.711780 
1 1 1  -11    6   19 o  157.110   4.4908   66.817   3.7941   65.771   5.6268   67.689   5.1377  155.976   6.6760  158.243   6.0084 -2.267029 8.981668 
1 1 1  -11    6   20 o  1407.92   16.861  5395.40  128.271  5368.10  180.502  5423.25  182.316  1404.34   23.786  1411.49   23.903 -7.144531 33.72153 
1 1 1  -11    6   21 o  731.473   9.0393  1448.60   35.728  1451.82   50.684  1445.43   50.373  732.276   12.809  730.670   12.758 1.606079 18.07859 
1 1 1  -11    6   22 o  806.296   9.8787  1760.40   43.041  1762.04   60.979  1758.77   60.759  806.667   13.989  805.924   13.952 0.7438354 19.75736 
1 1 1  -11    6   23 o  319.588   4.9195  276.063   8.4949  270.924   11.949  281.315   12.080  316.580   6.9847  322.595   6.9295 -6.015564 9.838908 
1 1 1  -11    6   24 o  701.770   8.7175  1331.15   33.031  1297.61   45.603  1368.16   47.906  692.495   12.187  711.046   12.468 -18.55090 17.43502 
1 1 1  -11    6   25 o  641.715   8.0783  1113.32   28.001  1092.69   38.919  1135.45   40.315  635.563   11.332  647.866   11.516 -12.30286 16.15658 
1 1 1  -11    6   26 f  863.417   10.544  2017.85   49.191  2027.77   70.050  2008.20   69.093  865.502   14.978  861.332   14.845 4.170776 21.08812 
1 1 1  -11    6   27 o  1195.79   14.354  3874.81   92.729  3829.34  129.555  3922.57  132.781  1188.63   20.171  1202.96   20.427 -14.33447 28.70725 
1 1 1  -11    6   28 o  924.431   11.231  2313.45   56.100  2324.87   79.809  2302.30   78.874  926.679   15.938  922.183   15.828 4.495605 22.46214 
1 1 1  -11    6   29 o  332.127   5.2391  298.035   9.4002  291.783   13.116  304.636   13.479  328.548   7.3881  335.706   7.4302 -7.157349 10.47811 
1 1 1  -11    6   30 o  387.405   5.6377  405.724   11.802  401.812   16.667  409.657   16.713  385.532   8.0003  389.279   7.9454 -3.746521 11.27538 
1 1 1  -11    6   31 o  667.309   8.4009  1203.79   30.276  1228.97   43.702  1180.56   41.983  674.005   11.999  660.612   11.761 13.39252 16.80182 
1 1 1  -11    6   32 o  509.036   6.7870  700.500   18.665  690.176   26.088  711.327   26.716  505.196   9.5564  512.875   9.6399 -7.678741 13.57399 
1 1 1  -11    6   33 o  431.093   6.1346  502.000   14.282  486.613   19.799  518.694   20.623  424.214   8.6373  437.972   8.7139 -13.75732 12.26924 
1 1 1  -11    6   34 f  489.679   6.6791  648.474   17.672  641.594   24.803  655.569   25.185  487.042   9.4242  492.315   9.4670 -5.273224 13.35810 
1 1 1  -11    6   35 o  549.598   7.2753  817.003   21.604  808.350   30.289  825.965   30.824  546.638   10.254  552.557   10.324 -5.919250 14.55059 
1 1 1  -11    6   36 o  645.778   8.2797  1128.75   28.893  1126.80   40.875  1130.70   40.846  645.218   11.724  646.338   11.695 -1.119934 16.55942 
1 1 1  -11    6   37 o  604.653   7.8663  989.050   25.693  1005.65   36.913  973.453   35.785  609.564   11.206  599.743   11.042 9.821289 15.73256 
1 1 1  -11    6   38 o  186.876   6.6880   94.494   6.7524   92.564   9.5627   96.414   9.5359  184.969   9.5674  188.783   9.3479 -3.813583 13.37603 
1 1 1  -11    6   39 o  319.958   5.7940  276.746   10.014  283.683   14.405  270.258   13.930  323.835   8.2318  316.082   8.1559 7.752197 11.58796 
1 1 1  -11    6   40 o  369.855   5.9908  369.913   11.970  360.784   16.723  379.506   17.142  365.178   8.4745  374.533   8.4700 -9.355042 11.98159 
1 1 1  -11    6   41 o  105.325   10.608   30.741   5.7299   39.943   8.3110   22.404   7.9106  121.356   12.674   89.294   17.016 32.06243 21.21693 
1 1 1  -11    6   42 o  294.283   5.7257  234.405   9.1047  232.237   12.887  236.566   12.865  292.922   8.1413  295.645   8.0532 -2.722900 11.45141 
1 1 1  -11    6   43 o  447.154   6.4766  541.548   15.645  542.224   22.388  540.903   21.873  447.414   9.2600  446.894   9.0575 0.5208740 12.95326 
1 1 1  -11    6   44 o  444.616   9.0475  536.937   21.728  546.847   31.285  527.703   30.199  448.554   12.907  440.678   12.682 7.876434 18.09496 
1 1 1  -11    6   45 o  176.733   9.1942   84.479   8.7409   90.203   13.137   79.932   11.709  182.038   13.355  171.428   12.640 10.60980 18.38835 
1 1 1  -11    6   46 o  179.051   9.9971   87.032   9.6725   87.032   9.6725   0.0000   0.0000  179.051   9.9971  ?   ?       ?      ? 
1 1 1  -11    6   47 o   55.030   14.831  -2.9277   7.8023   15.306   11.105 -20.7050   10.965   74.811   24.136   35.248   17.244 39.56348 29.66267 
1 1 1  -11    6   48 o  266.317   8.3317  193.972   11.944  183.784   17.371  203.108   16.450  259.539   12.386  273.095   11.147 -13.55640 16.66344 
1 1 1  -11    6   49 o  262.200   5.7260  186.611   8.1059  186.542   11.705  186.675   11.236  262.128   8.2638  262.271   7.9282 -0.1434021 11.45198 
1 1 1  -11    6   50 o  390.285   6.0520  414.069   12.753  415.718   18.422  412.550   17.674  390.985   8.7193  389.585   8.3953 1.400726 12.10400 
1 1 1  -11    6   51 o  202.171   6.0413  110.839   6.5833  116.182   9.7364  106.339   8.9355  206.615   8.7207  197.727   8.3631 8.887619 12.08268 
1 1 1  -11    6   52 o  411.845   6.2463  461.981   13.895  464.064   19.957  460.021   19.358  412.701   8.9491  410.988   8.7166 1.713409 12.49257 
1 1 1  -11    6   53 o  236.924   5.7226  152.982   7.3176  151.512   10.583  154.329   10.129  235.781   8.3065  238.067   7.8738 -2.286423 11.44529 
1 1 1  -11    6   54 o   85.666   12.137   21.182   5.4162   24.152   7.9498   18.609   7.3992   91.501   16.693   79.831   17.624 11.66991 24.27494 
1 1 1  -11    6   55 o  138.396   7.6142   52.968   5.6610   48.894   8.2418   56.607   7.7890  133.169   11.453  143.623   10.036 -10.45441 15.22836 
1 1 1  -11    6   56 o  239.747   5.8311  157.074   7.5406  159.708   11.037  154.768   10.326  241.554   8.4560  237.940   8.0313 3.614746 11.66214 
1 1 1  -11    6   57 o  314.618   5.8854  270.917   9.9980  256.415   13.945  286.255   14.342  305.903   8.4363  323.333   8.2085 -17.42999 11.77076 
1 1 1  -11    6   58 o  133.649   10.067   52.030   6.8508   56.145   8.6107   44.932   11.309  142.179   11.208  125.120   16.727 17.05967 20.13427 
1 1 1  -11    6   59 o  249.105   7.4890  170.607   9.1662  176.171   17.036  168.340   10.874  250.578   12.582  247.633   8.1266 2.945221 14.97795 
1 1 1  -11    6   60 o  171.010   9.0238   81.461   7.4839   84.910   14.209   80.136   8.8039  171.904   15.297  170.117   9.5773 1.786346 18.04760 
1 1 1  -11    6   61 o  111.702   9.5075   35.614   5.7111   34.506   8.4105   36.562   7.7798  109.765   14.180  113.640   12.669 -3.874237 19.01507 
1 1 1  -11    6   62 o  142.452   8.1646   56.956   6.2668   58.594   9.2685   55.576   8.5056  144.161   11.898  140.742   11.184 3.419510 16.32921 
1 1 1  -11    6   63 o  363.782   6.2505  367.301   12.281  369.758   17.668  365.004   17.083  364.823   8.9622  362.741   8.7152 2.081787 12.50103 
1 1 1  -11    6   64 o  167.659   7.5461   79.581   6.8346   79.951   9.7899   79.229   9.5460  167.957   10.787  167.362   10.555 0.5947723 15.09215 
1 1 1  -11    6   65 o  195.967   7.1288  107.863   7.5367  115.539   11.025  101.130   10.326  202.496   10.076  189.439   10.087 13.05652 14.25759 
1 1 1  -11    6   66 o  176.639   7.8699   88.759   7.5081   91.557   10.827   86.167   10.421  179.281   11.176  173.997   11.083 5.283401 15.73973 
1 1 1  -11    6   67 o   62.630   16.416   14.406   7.1623   17.707   11.923   12.543   8.9587   66.249   24.757   59.011   21.565 7.237953 32.83231 
1 1 1  -11    6   68 o   76.180   16.013   20.116   7.0579   14.239   8.9085   30.023   11.567   62.965   21.650   89.395   23.599 -26.42977 32.02552 
1 1 1  -11    7    1 o  573.696   7.2863  890.237   22.587  884.680   31.820  895.881   32.068  571.892   10.297  575.500   10.312 -3.607849 14.57255 
1 1 1  -11    7    2 o  443.602   5.9359  531.978   14.226  536.946   20.360  527.239   19.885  445.623   8.4553  441.582   8.3336 4.041443 11.87184 
1 1 1  -11    7    3 o  307.337   4.7334  254.992   7.8525  262.261   11.428  248.489   10.808  311.479   6.7896  303.195   6.5971 8.284241 9.466797 
1 1 1  -11    7    4 o  490.138   6.4075  649.494   16.967  656.978   24.306  642.382   23.695  492.888   9.1260  487.389   8.9967 5.499451 12.81505 
1 1 1  -11    7    5 o  597.043   10.686  964.311   34.475  964.311   34.475   0.0000   0.0000  597.043   10.686  ?   ?       ?      ? 
1 1 1  -11    7    6 o  351.375   5.0688  333.744   9.6229  335.382   13.735  332.166   13.487  352.220   7.2163  350.530   7.1202 1.690033 10.13761 
1 1 1  -11    7    7 o  658.692   8.2137  1174.03   29.235  1176.95   41.509  1171.16   41.181  659.501   11.648  657.882   11.584 1.618652 16.42738 
1 1 1  -11    7    8 o  567.571   10.203  871.404   31.293   0.0000   0.0000  871.404   31.293  ?   ?   567.571   10.203      ?      ? 
1 1 1  -11    7    9 o  275.764   4.4909  205.590   6.6910  202.612   9.4923  208.531   9.4331  273.778   6.4163  277.750   6.2851 -3.972565 8.981705 
1 1 1  -11    7   11 f  532.708   8.4760  755.209   22.569  735.104   27.003  801.802   41.108  521.313   9.5858  544.102   13.982 -22.78882 16.95209 
1 1 1  -11    7   12 o  383.235   7.6495  397.398   15.841  394.144   22.363  400.676   22.442  381.659   10.844  384.810   10.792 -3.152008 15.29905 
1 1 1  -11    7   13 o  580.653   10.464  911.507   32.773  946.396   48.113  881.306   44.764  590.965   15.067  570.341   14.525 20.62451 20.92761 
1 1 1  -11    7   15 o  387.357   10.785  406.081   22.575   0.0000   0.0000  406.081   22.575  ?   ?   387.357   10.785      ?      ? 
1 1 1  -11    7   16 o  689.575   10.540  1278.67   36.688  1260.50   44.398  1317.79   65.147  682.304   12.042  696.846   17.301 -14.54248 21.07918 
1 1 1  -11    7   17 o  507.983   6.6191  698.057   18.169  693.890   25.674  702.237   25.716  506.463   9.3813  509.503   9.3404 -3.040100 13.23825 
1 1 1  -11    7   18 o  811.791   9.9475  1785.18   43.635  1791.38   61.999  1779.11   61.422  813.180   14.109  810.403   14.026 2.776917 19.89495 
1 1 1  -11    7   19 o  1013.33   12.256  2785.15   67.107  2770.00   94.438  2800.60   95.378  1010.56   17.294  1016.11   17.371 -5.550171 24.51179 
1 1 1  -11    7   20 o  324.351   4.9500  284.259   8.6701  288.591   12.526  280.274   12.013  326.720   7.0951  321.983   6.9043 4.736786 9.899991 
1 1 1  -11    7   21 o  326.052   5.0173  287.348   8.8351  288.738   12.717  286.052   12.284  326.811   7.2013  325.292   6.9882 1.518158 10.03458 
1 1 1  -11    7   22 o  268.919   4.6314  195.468   6.7282  189.290   9.4701  201.765   9.5608  264.628   6.6227  273.211   6.4760 -8.583344 9.262733 
1 1 1  -11    7   23 o  239.697   4.5404  155.274   5.8767  155.907   8.4797  154.689   8.1519  240.165   6.5341  239.229   6.3061 0.9367218 9.080787 
1 1 1  -11    7   24 o  248.681   4.6217  167.214   6.2050  165.637   8.9427  168.677   8.6168  247.547   6.6853  249.814   6.3832 -2.266251 9.243327 
1 1 1  -11    7   25 o  398.749   5.6259  429.594   12.116  436.459   17.475  423.241   16.812  401.812   8.0485  395.686   7.8630 6.126251 11.25189 
1 1 1  -11    7   26 o  582.766   7.4665  918.080   23.508  903.310   32.849  933.584   33.655  577.965   10.518  587.566   10.600 -9.601196 14.93296 
1 1 1  -11    7   27 f  1098.53   13.230  3269.51   78.532  3270.02  111.198  3269.01  110.924  1098.61   18.731  1098.45   18.688 0.1618652 26.45918 
1 1 1  -11    7   28 f  881.848   10.768  2104.37   51.297  2071.25   71.468  2139.56   73.672  874.706   15.120  888.990   15.336 -14.28387 21.53669 
1 1 1  -11    7   29 f  935.391   11.374  2369.34   57.491  2369.37   81.391  2369.31   81.217  935.394   16.102  935.387   16.068 0.6530762E-02 22.74817 
1 1 1  -11    7   30 o  865.929   10.600  2027.39   49.551  1974.75   68.285  2085.93   72.017  854.095   14.795  877.762   15.183 -23.66730 21.20000 
1 1 1  -11    7   31 o  347.391   5.4672  326.047   10.259  318.831   14.284  333.737   14.745  343.424   7.6971  351.359   7.7663 -7.934631 10.93433 
1 1 1  -11    7   32 o  556.246   7.2942  836.526   21.919  820.323   30.574  853.659   31.440  550.709   10.274  561.783   10.357 -11.07318 14.58833 
1 1 1  -11    7   33 o  710.845   8.9183  1367.75   34.255  1358.24   48.196  1377.47   48.697  708.349   12.591  713.342   12.633 -4.992737 17.83658 
1 1 1  -11    7   34 o  577.110   7.5525  900.826   23.548  888.214   32.913  914.052   33.705  572.977   10.630  581.243   10.731 -8.266541 15.10495 
1 1 1  -11    7   35 o  607.423   7.8845  998.365   25.879  991.211   36.462  1005.63   36.735  605.230   11.149  609.615   11.152 -4.385315 15.76892 
1 1 1  -11    7   36 o  349.674   5.8588  330.218   11.063  315.742   15.331  345.943   15.979  341.689   8.3035  357.659   8.2676 -15.96988 11.71754 
1 1 1  -11    7   37 o  426.576   6.3744  492.066   14.691  483.000   20.579  501.488   20.980  422.570   9.0125  430.582   9.0171 -8.011047 12.74883 
1 1 1  -11    7   38 o  611.700   7.9831  1013.17   26.387  1006.85   37.321  1019.48   37.314  609.789   11.326  613.611   11.253 -3.821289 15.96628 
1 1 1  -11    7   39 o  118.441   9.2618   37.988   5.9248   37.031   8.2224   39.021   8.5446  116.894   13.017  119.989   13.178 -3.094612 18.52351 
1 1 1  -11    7   41 o  406.359   6.1557  446.947   13.508  449.119   19.489  444.938   18.739  407.295   8.8550  405.422   8.5534 1.872589 12.31145 
1 1 1  -11    7   42 o  294.454   5.6973  234.616   9.0569  221.201   12.686  248.564   12.935  285.860   8.2124  303.047   7.8988 -17.18735 11.39451 
1 1 1  -11    7   43 o  521.469   8.6924  737.097   23.087  741.892   40.052  734.711   28.253  522.315   14.191  520.622   10.043 1.692993 17.38478 
1 1 1  -11    7   44 o  443.541   9.0352  533.710   21.620  555.856   31.685  514.414   29.576  452.088   12.970  434.993   12.582 17.09494 18.07041 
1 1 1  -11    7   45 o  352.853   8.1689  337.792   15.558  350.901   22.672  326.126   21.389  359.289   11.678  346.418   11.426 12.87085 16.33782 
1 1 1  -11    7   46 o  497.332   9.9196  675.102   26.653  675.676   38.065  674.549   37.333  497.492   14.159  497.172   13.896 0.3201599 19.83924 
1 1 1  -11    7   47 o  356.230   8.5685  346.156   16.478  327.477   23.225  365.090   23.383  346.471   12.405  365.988   11.823 -19.51721 17.13703 
1 1 1  -11    7   48 o  470.564   9.6442  605.135   24.514  583.558   34.202  627.928   35.153  461.917   13.702  479.210   13.575 -17.29230 19.28832 
1 1 1  -11    7   49 o   71.602   13.011   14.843   5.1622   10.817   7.4280   18.604   7.1793   62.572   19.692   80.632   17.012 -18.05998 26.02279 
1 1 1  -11    7   50 f  260.271   5.7209  183.916   8.0381  188.550   11.680  179.748   11.079  263.359   8.2075  257.184   7.9719 6.175720 11.44174 
1 1 1  -11    7   51 o  262.319   5.7071  187.043   8.0770  188.496   11.776  185.752   11.099  263.237   8.2789  261.401   7.8577 1.835724 11.41416 
1 1 1  -11    7   52 o  163.917   6.7923   73.273   6.0126   75.606   8.6916   71.131   8.3264  166.406   9.6659  161.427   9.5453 4.978577 13.58466 
1 1 1  -11    7   53 o  328.697   5.8024  294.700   10.300  287.194   14.680  301.978   14.456  324.512   8.3718  332.881   8.0364 -8.369171 11.60478 
1 1 1  -11    7   54 o  206.169   6.0578  115.891   6.7431  120.536   9.7821  111.686   9.3080  210.086   8.6168  202.251   8.5168 7.835114 12.11552 
1 1 1  -11    7   55 o  154.661   7.0382   65.541   5.8655   67.764   8.6812   63.674   7.9563  156.996   10.233  152.327   9.6660 4.669373 14.07640 
1 1 1  -11    7   56 o  195.584   6.3031  104.183   6.6387  115.903   9.8491   94.424   8.9870  205.613   8.8646  185.555   8.9630 20.05762 12.60621 
1 1 1  -11    7   57 o  105.377   11.648   30.672   6.4825   26.976   8.1797   36.914   10.630   97.448   15.534  113.306   17.361 -15.85838 23.29605 
1 1 1  -11    7   58 o   42.976   13.053  -0.6331   5.5797   4.1354   8.3257  -4.5210   7.5178   49.547   20.047   36.406   16.724 13.14142 26.10691 
1 1 1  -11    7   59 o   69.969   15.476   15.079   6.2213   13.624   11.583   15.669   7.3756   68.262   24.584   71.677   18.807 -3.414894 30.95297 
1 1 1  -11    7   60 o  209.398   6.3700  121.461   7.1871  116.436   10.423  126.016   9.9235  205.047   9.4070  213.749   8.5916 -8.701202 12.73995 
1 1 1  -11    7   61 o  116.908   9.7146   37.843   5.9843   51.853   9.2882   27.900   7.8249  135.320   12.702   98.496   14.702 36.82365 19.42927 
1 1 1  -11    7   62 o  257.520   6.1469  183.910   8.5276  180.079   12.477  187.268   11.682  254.725   9.0649  260.314   8.3046 -5.589508 12.29389 
1 1 1  -11    7   63 o   70.628   14.635   16.192   6.0366   13.113   9.0005   18.709   8.1386   64.522   21.767   76.735   19.567 -12.21235 29.26937 
1 1 1  -11    7   64 o  250.153   6.3432  174.572   8.5549  184.086   12.629  166.503   11.630  256.284   9.1190  244.022   8.8197 12.26277 12.68635 
1 1 1  -11    7   66 o  140.857   9.1553   58.913   6.8378   47.622   9.7872   69.679   9.5572  126.228   14.349  155.485   11.375 -29.25664 18.31064 
1 1 1  -11    7   67 o   97.466   14.712   29.801   7.1792   45.113   12.826   22.815   8.6636  113.483   21.707   81.448   19.863 32.03537 29.42305 
1 1 1  -11    7   68 o   42.265   13.827  -2.6949   6.8614   4.5901   12.130  -6.1222   8.3203   49.994   22.259   34.537   16.411 15.45647 27.65433 
1 1 1  -11    8    1 o  291.125   6.6628  229.109   10.482  229.109   10.482   0.0000   0.0000  291.125   6.6628  ?   ?       ?      ? 
1 1 1  -11    8    2 o  755.948   9.3550  1546.95   38.212  1530.63   53.660  1563.73   54.427  751.907   13.207  759.990   13.253 -8.082581 18.71000 
1 1 1  -11    8    4 f  517.382   6.7249  723.996   18.801  719.421   26.532  728.610   26.646  515.740   9.5203  519.024   9.5006 -3.284424 13.44980 
1 1 1  -11    8    5 o  610.235   7.7107  1007.55   25.426  1005.21   35.952  1009.89   35.963  609.527   10.916  610.944   10.893 -1.416931 15.42131 
1 1 1  -11    8    6 o  600.634   7.6083  976.066   24.694  971.894   34.872  980.262   34.973  599.346   10.767  601.922   10.752 -2.575989 15.21667 
1 1 1  -11    8    7 o  569.963   7.2766  878.775   22.410  871.479   31.506  886.246   31.883  567.570   10.273  572.356   10.309 -4.785889 14.55326 
1 1 1  -11    8    8 o  279.141   5.6217  207.561   7.9750  201.758   9.6803  219.820   14.070  273.194   6.5574  285.089   9.1332 -11.89465 11.24343 
1 1 1  -11    8    9 o   81.988   9.1609   18.535   3.9501   16.779   5.6397   20.225   5.5342   77.531   13.976   86.444   11.848 -8.912254 18.32173 
1 1 1  -11    8   10 f  277.622   6.4942  208.472   9.7414  208.198   13.874  208.739   13.681  277.440   9.2542  277.805   9.1135 -0.3645325 12.98836 
1 1 1  -11    8   11 o  267.469   6.4897  193.061   9.3687  183.514   12.888  203.761   13.643  260.473   9.1563  274.465   9.1992 -13.99219 12.97935 
1 1 1  -11    8   12 o  870.569   21.315  2060.58  100.271   0.0000   0.0000  2060.58  100.271  ?   ?   870.569   21.315      ?      ? 
1 1 1  -11    8   13 o  614.119   15.486  1022.52   51.391   0.0000   0.0000  1022.52   51.391  ?   ?   614.119   15.486      ?      ? 
1 1 1  -11    8   14 o  139.545   6.5949   52.767   4.9645   50.495   7.1248   54.910   6.9213  136.615   9.6513  142.475   8.9901 -5.859421 13.18971 
1 1 1  -11    8   15 o  473.194   7.7129  600.597   18.514  590.592   22.493  621.622   32.605  467.270   8.9081  479.117   12.594 -11.84695 15.42580 
1 1 1  -11    8   16 f  730.999   9.0535  1446.81   35.760  1433.77   50.232  1460.22   50.918  727.662   12.775  734.336   12.832 -6.673889 18.10692 
1 1 1  -11    8   17 o  426.998   5.8640  492.438   13.515  505.439   19.684  480.842   18.589  432.317   8.4258  421.679   8.1579 10.63815 11.72796 
1 1 1  -11    8   18 o  711.589   8.8440  1370.68   34.004  1357.51   47.719  1384.27   48.468  708.121   12.471  715.057   12.544 -6.935913 17.68801 
1 1 1  -11    8   19 o  275.267   4.7338  204.897   7.0380  202.454   10.073  207.228   9.8377  273.661   6.8116  276.874   6.5754 -3.213135 9.467540 
1 1 1  -11    8   20 o  1083.77   13.071  3185.05   76.545  3204.75  109.007  3165.89  107.512  1087.06   18.557  1080.48   18.414 6.578369 26.14300 
1 1 1  -11    8   21 o  723.713   8.9884  1417.45   35.150  1409.81   49.576  1425.18   49.845  721.752   12.712  725.674   12.711 -3.922119 17.97671 
1 1 1  -11    8   22 o  202.431   6.4292  110.762   7.0327   0.0000   0.0000  110.762   7.0327  ?   ?   202.431   6.4292      ?      ? 
1 1 1  -11    8   23 o  169.566   4.8991   77.668   4.4736   78.322   6.6181   77.118   6.0706  170.219   7.1951  168.912   6.6509 1.307129 9.798134 
1 1 1  -11    8   24 o  257.583   4.7890  179.498   6.6592  174.468   9.5457  184.266   9.2943  254.063   6.9531  261.104   6.5874 -7.041656 9.578075 
1 1 1  -11    8   25 o  403.314   5.7364  439.429   12.493  446.776   18.070  432.703   17.291  406.538   8.2258  400.090   7.9977 6.447906 11.47286 
1 1 1  -11    8   26 o  429.867   5.9768  499.565   13.883  494.711   19.653  504.400   19.613  427.781   8.5020  431.953   8.4027 -4.171936 11.95367 
1 1 1  -11    8   27 o  936.455   11.391  2373.00   57.613  2327.48   79.923  2422.24   83.125  927.132   15.953  945.778   16.265 -18.64600 22.78273 
1 1 1  -11    8   28 o  414.436   5.9131  464.354   13.242  459.365   18.722  469.348   18.732  412.207   8.4050  416.665   8.3197 -4.457428 11.82630 
1 1 1  -11    8   29 o  469.147   6.4094  595.102   16.248  595.082   23.096  595.121   22.861  469.137   9.1107  469.156   9.0174 -0.1913452E-01 12.81872 
1 1 1  -11    8   30 o  599.841   7.7179  973.217   25.016  971.996   35.406  974.433   35.351  599.464   10.930  600.217   10.899 -0.7527466 15.43573 
1 1 1  -11    8   31 o  491.840   6.6659  652.829   17.695  627.119   24.303  681.832   25.813  481.560   9.3396  502.119   9.5135 -20.55927 13.33172 
1 1 1  -11    8   32 o  933.546   11.407  2361.84   57.543  2366.82   81.701  2356.95   81.059  934.513   16.179  932.578   16.085 1.935730 22.81448 
1 1 1  -11    8   33 o  396.537   6.0334  424.183   12.907  442.630   18.926  408.146   17.647  404.571   8.6574  388.502   8.4058 16.06915 12.06681 
1 1 1  -11    8   34 o  244.657   5.8275  161.757   7.7005  154.935   10.757  168.928   11.029  239.367   8.3161  249.946   8.1658 -10.57899 11.65497 
1 1 1  -11    8   35 o  435.723   6.3980  513.487   15.063  510.261   21.163  516.800   21.445  434.338   9.0171  437.109   9.0791 -2.770966 12.79603 
1 1 1  -11    8   36 o  165.421   7.4347   73.881   6.6257   82.347   9.6009   66.183   9.1552  174.456   10.184  156.385   10.834 18.07010 14.86931 
1 1 1  -11    8   37 o  839.441   10.407  1908.89   47.179  1866.11   65.375  1955.37   68.155  829.663   14.582  849.220   14.852 -19.55676 20.81416 
1 1 1  -11    8   38 o  433.591   6.4149  508.725   15.029  502.648   21.254  514.801   21.255  430.997   9.1260  436.184   9.0178 -5.186859 12.82981 
1 1 1  -11    8   39 o  481.916   6.7587  628.578   17.597  629.827   25.135  627.377   24.645  482.378   9.6427  481.454   9.4731 0.9238892 13.51741 
1 1 1  -11    8   40 f  401.157   6.1759  434.882   13.369  449.178   19.533  422.283   18.337  407.337   8.8743  394.978   8.5916 12.35861 12.35184 
1 1 1  -11    8   41 o  591.653   7.7819  948.893   24.877  949.303   35.441  948.495   34.928  591.765   11.083  591.541   10.927 0.2243652 15.56388 
1 1 1  -11    8   42 o  451.974   8.0059  549.515   18.278  566.892   32.420  541.418   22.131  456.867   13.132  447.081   9.1607 9.785858 16.01175 
1 1 1  -11    8   43 o   57.603   15.558   4.1738   7.3179   12.293   10.394  -3.8063   10.305   69.109   23.392   46.097   20.520 23.01275 31.11661 
1 1 1  -11    8   44 o  213.709   8.3537  124.701   9.6010  115.608   13.921  132.950   13.259  206.170   12.496  221.249   11.090 -15.07893 16.70732 
1 1 1  -11    8   45 o  298.675   7.0884  241.862   10.848  241.149   13.358  243.243   18.589  298.259   8.2881  299.092   11.502 -0.8333740 14.17687 
1 1 1  -11    8   46 o  151.044   10.969   60.668   8.8081   78.131   13.787   48.626   11.449  168.922   15.105  133.167   15.910 35.75531 21.93838 
1 1 1  -11    8   47 f  355.772   8.6669  345.336   16.632  344.144   24.235  346.396   22.867  355.087   12.630  356.457   11.872 -1.369995 17.33385 
1 1 1  -11    8   48 o  270.009   5.7411  197.421   8.3425  203.004   12.441  192.859   11.246  273.421   8.4203  266.596   7.8063 6.825775 11.48213 
1 1 1  -11    8   49 o  336.379   5.7611  307.330   10.460  310.029   15.183  304.891   14.432  337.744   8.3190  335.015   7.9720 2.729401 11.52214 
1 1 1  -11    8   50 o   61.698   13.661   10.324   5.3424   5.3427   7.7308   14.878   7.3912   51.696   19.794   71.700   18.834 -20.00353 27.32271 
1 1 1  -11    8   51 o  408.310   6.2151  454.148   13.709  451.256   19.580  456.929   19.201  406.992   8.9031  409.628   8.6744 -2.635773 12.43023 
1 1 1  -11    8   52 o  218.770   6.0037  130.769   7.0810  123.609   10.162  137.525   9.8720  212.856   8.8354  224.684   8.1310 -11.82848 12.00740 
1 1 1  -11    8   53 f  176.640   6.6196   85.124   6.3107   90.498   9.1832   80.316   8.6869  181.913   9.3420  171.367   9.3810 10.54657 13.23920 
1 1 1  -11    8   54 o  256.779   5.7764  180.068   8.0085  177.333   11.508  182.637   11.152  254.826   8.3572  258.731   7.9766 -3.905396 11.55281 
1 1 1  -11    8   55 f  159.286   7.1744   70.108   6.1459   63.220   8.7730   76.745   8.6124  151.402   10.723  167.169   9.5342 -15.76694 14.34890 
1 1 1  -11    8   56 o  253.022   7.0637  177.960   9.3458  183.214   11.919  169.572   15.060  258.572   8.5301  247.472   11.262 11.09969 14.12746 
1 1 1  -11    8   57 o   98.364   12.658   26.907   6.4442   19.955   8.1849   38.243   10.452   81.298   18.977  115.431   16.757 -34.13286 25.31656 
1 1 1  -11    8   58 o  181.154   8.4408   89.963   7.5318   95.901   14.036   87.561   8.9258  184.095   14.109  178.212   9.2687 5.883118 16.88157 
1 1 1  -11    8   59 o   80.454   12.245   21.113   5.7096   6.2260   8.5757   32.967   7.6523   52.894   20.686  108.014   13.111 -55.11975 24.49077 
1 1 1  -11    8   60 o  165.267   7.3242   75.922   6.5143   78.454   9.7194   73.856   8.7777  167.574   10.734  162.959   9.9681 4.615158 14.64832 
1 1 1  -11    8   61 o   71.116   12.908   14.127   5.6422   27.089   8.5792   4.2490   7.4898   94.783   17.392   47.449   19.078 47.33389 25.81570 
1 1 1  -11    8   62 o  171.214   7.5883   83.219   6.9409   72.776   10.115   92.513   9.5423  160.351   11.673  182.077   9.6987 -21.72598 15.17653 
1 1 1  -11    8   63 f  227.205   6.5035  143.784   7.9280  146.736   11.990  141.491   10.568  228.867   9.6953  225.543   8.6708 3.324127 13.00699 
1 1 1  -11    8   64 o   88.725   14.276   25.911   6.6809   23.783   9.9194   27.678   9.0384   84.082   21.689   93.368   18.568 -9.286003 28.55167 
1 1 1  -11    8   66 o   57.628   14.843   11.118   6.0886   15.599   9.0996   7.4855   8.1927   64.896   21.887   50.360   20.054 14.53574 29.68524 
1 1 1  -11    8   67 o  110.363   11.133   37.304   6.5728   39.975   10.143   35.370   8.6296  112.948   16.619  107.777   14.818 5.171211 22.26584 
1 1 1  -11    8   68 o   41.744   13.808  -3.6692   6.9500   4.8356   12.688  -7.3147   8.3071   50.109   22.504   33.380   16.007 16.72916 27.61576 
1 1 1  -11    9    1 o  436.255   5.9672  514.648   14.067  509.311   19.825  520.060   19.962  433.977   8.4538  438.534   8.4239 -4.557312 11.93439 
1 1 1  -11    9    2 o  108.820   7.8911   32.020   4.6402   0.0000   0.0000   32.020   4.6402  ?   ?   108.820   7.8911      ?      ? 
1 1 1  -11    9    3 o  517.390   6.7816  724.109   18.960  722.901   26.868  725.307   26.759  516.959   9.6182  517.822   9.5631 -0.8630981 13.56329 
1 1 1  -11    9    4 o  189.411   5.3587   97.887   5.3145  100.766   6.7834   93.311   8.5518  193.069   6.5020  185.753   8.5198 7.315552 10.71745 
1 1 1  -11    9    5 o  659.853   11.679  1180.52   41.643  1180.63   58.944  1180.41   58.840  659.882   16.530  659.823   16.503 0.5902100E-01 23.35812 
1 1 1  -11    9    6 o  694.705   12.239  1306.93   45.887  1268.69   63.044  1350.00   66.918  683.956   17.058  705.453   17.554 -21.49725 24.47719 
1 1 1  -11    9    7 o  786.519   13.701  1678.73   58.206  1648.87   80.877  1710.81   83.835  779.303   19.206  793.736   19.546 -14.43262 27.40274 
1 1 1  -11    9    8 o  352.764   7.2967  336.668   13.908  339.189   19.842  334.234   19.499  354.059   10.371  351.468   10.267 2.590454 14.59336 
1 1 1  -11    9    9 o  209.024   6.2882  118.172   7.1011  114.978   10.002  121.419   10.083  206.174   8.9780  211.875   8.8071 -5.701065 12.57650 
1 1 1  -11    9   10 o  523.234   8.3638  743.307   22.338  734.685   38.420  747.710   27.455  520.760   13.653  525.708   9.6646 -4.948364 16.72770 
1 1 1  -11    9   11 o  306.760   6.0569  260.043   9.5850  234.910   15.721  274.914   12.093  294.652   9.8737  318.869   7.0181 -24.21671 12.11381 
1 1 1  -11    9   12 o  814.463   14.180  1802.24   62.392  1776.58   87.103  1829.28   89.414  808.539   19.936  820.388   20.170 -11.84906 28.35971 
1 1 1  -11    9   13 o  844.698   14.653  1939.40   66.882  1941.89   94.817  1936.94   94.354  845.228   20.760  844.167   20.684 1.060608 29.30565 
1 1 1  -11    9   14 o  435.780   5.9936  513.118   14.102  524.657   20.439  502.633   19.483  440.446   8.5876  431.113   8.3635 9.332214 11.98726 
1 1 1  -11    9   15 o  398.603   5.6443  429.645   12.157  426.140   17.193  433.150   17.192  396.975   8.0151  400.230   7.9494 -3.254883 11.28868 
1 1 1  -11    9   16 o  830.076   10.186  1866.65   45.690  1864.48   64.677  1868.81   64.553  829.592   14.428  830.561   14.383 -0.9692993 20.37242 
1 1 1  -11    9   17 o  1500.12   17.980  6128.56  145.745  6121.32  206.019  6135.81  206.211  1499.23   25.430  1501.01   25.424 -1.776245 35.95921 
1 1 1  -11    9   18 o  528.712   6.9246  755.503   19.770  770.563   28.599  741.719   27.359  533.747   9.9157  523.677   9.6684 10.07080 13.84918 
1 1 1  -11    9   19 o  634.088   8.0281  1087.77   27.506  1090.36   39.112  1085.24   38.691  634.831   11.402  633.346   11.305 1.485168 16.05625 
1 1 1  -11    9   20 o  483.379   6.4791  631.853   16.923  630.669   24.045  633.014   23.821  482.929   9.2141  483.830   9.1114 -0.9016418 12.95829 
1 1 1  -11    9   21 o  592.844   7.5954  950.581   24.331  941.386   34.217  959.986   34.604  589.945   10.734  595.744   10.749 -5.798706 15.19080 
1 1 1  -11    9   22 o  548.890   7.1424  814.559   21.178  822.081   30.381  807.449   29.538  551.349   10.197  546.430   10.004 4.919067 14.28487 
1 1 1  -11    9   23 o  526.743   6.9176  750.217   19.690  744.147   27.784  756.341   27.907  524.601   9.8011  528.884   9.7648 -4.282410 13.83523 
1 1 1  -11    9   24 o  377.437   5.6032  384.477   11.412  396.125   16.671  374.205   15.655  382.805   8.0595  372.069   7.7864 10.73593 11.20641 
1 1 1  -11    9   25 o  1806.07   21.542  8877.43  210.205  8967.13  300.532  8791.53  294.122  1814.92   30.644  1797.22   30.286 17.70129 43.08449 
1 1 1  -11    9   26 o  1032.33   12.494  2886.98   69.695  2869.39   98.084  2904.92   99.052  1029.16   17.637  1035.51   17.702 -6.340942 24.98842 
1 1 1  -11    9   27 o  144.485   6.1076   56.696   4.7462   52.696   6.8880   60.312   6.5491  139.605   9.1307  149.365   8.1142 -9.759766 12.21516 
1 1 1  -11    9   28 o  439.570   6.1854  522.202   14.689  510.924   20.536  534.016   21.019  434.712   8.7425  444.427   8.7524 -9.715149 12.37077 
1 1 1  -11    9   29 o  842.046   10.361  1919.24   47.139  1899.73   66.095  1939.43   67.249  837.698   14.601  846.393   14.704 -8.694763 20.72189 
1 1 1  -11    9   30 o  450.365   6.3244  548.322   15.389  537.539   21.572  559.496   21.960  445.858   8.9537  454.873   8.9343 -9.015839 12.64874 
1 1 1  -11    9   31 o  630.407   8.0936  1075.31   27.570  1065.54   38.782  1085.29   39.201  627.512   11.437  633.302   11.455 -5.789063 16.18729 
1 1 1  -11    9   32 o  380.539   5.9140  391.571   12.157  377.590   17.108  405.833   17.278  373.674   8.4724  387.405   8.2536 -13.73160 11.82806 
1 1 1  -11    9   33 o  625.493   8.1090  1058.77   27.407  1050.62   38.791  1066.89   38.729  623.086   11.521  627.900   11.414 -4.813599 16.21808 
1 1 1  -11    9   34 o  643.911   11.725  1122.31   40.796   0.0000   0.0000  1122.31   40.796  ?   ?   643.911   11.725      ?      ? 
1 1 1  -11    9   35 o  675.416   8.6510  1235.06   31.574  1230.41   44.607  1239.72   44.698  674.141   12.245  676.690   12.224 -2.548462 17.30209 
1 1 1  -11    9   36 o  327.960   6.0030  290.674   10.628  272.895   14.814  309.530   15.256  317.629   8.6311  338.291   8.3457 -20.66150 12.00607 
1 1 1  -11    9   37 o  834.499   10.369  1888.40   46.751  1863.18   65.427  1914.71   66.826  828.820   14.609  840.177   14.719 -11.35748 20.73805 
1 1 1  -11    9   38 o  574.175   7.6613  892.759   23.767  888.519   33.844  896.884   33.383  572.818   10.934  575.532   10.734 -2.713440 15.32250 
1 1 1  -11    9   39 o  528.336   7.1990  755.978   20.547  759.168   29.427  752.942   28.702  529.409   10.287  527.261   10.074 2.148071 14.39790 
1 1 1  -11    9   40 f  226.773   6.1307  139.513   7.4923  134.489   10.883  144.039   10.330  222.865   9.0371  230.682   8.2870 -7.816757 12.26146 
1 1 1  -11    9   41 o  422.034   7.6551  479.239   16.296  493.018   28.967  472.860   19.710  426.187   12.578  417.882   8.7286 8.304352 15.31018 
1 1 1  -11    9   42 o  245.391   8.2100  163.821   10.856  150.360   15.406  177.095   15.299  235.307   12.116  255.476   11.082 -20.16934 16.41992 
1 1 1  -11    9   43 o  299.873   7.9140  244.523   12.803  237.387   18.468  251.126   17.766  295.603   11.561  304.142   10.810 -8.538239 15.82805 
1 1 1  -11    9   44 o  185.601   6.6986   93.246   6.6943   95.879   9.9519   91.070   9.0469  187.962   9.7982  183.240   9.1367 4.721863 13.39721 
1 1 1  -11    9   45 f  147.126   11.652   59.830   9.1749   51.239   13.124   68.041   12.831  136.535   17.789  157.717   15.055 -21.18237 23.30478 
1 1 1  -11    9   46 o  183.003   9.9686   90.888   9.8072   98.986   14.816   84.572   13.084  190.146   14.419  175.859   13.769 14.28708 19.93713 
1 1 1  -11    9   47 o  160.535   8.7722   67.302   7.0744   78.626   13.013   62.551   8.4288  169.450   14.212  151.621   10.288 17.82954 17.54450 
1 1 1  -11    9   48 o  231.743   5.8285  146.322   7.2674  140.447   10.656  151.431   9.9371  227.314   8.6751  236.172   7.7865 -8.858566 11.65707 
1 1 1  -11    9   49 f   58.583   13.812   8.9295   5.0803   10.905   7.8862   7.5279   6.6422   62.977   20.341   54.189   18.691 8.788731 27.62488 
1 1 1  -11    9   50 o  195.036   6.2456  102.866   6.5320  109.169   9.9817   98.145   8.6385  200.155   9.2289  189.916   8.4176 10.23932 12.49113 
1 1 1  -11    9   51 o  219.055   6.0530  129.722   7.1273  140.535   10.773  121.307   9.5046  227.062   8.7805  211.049   8.3342 16.01231 12.10598 
1 1 1  -11    9   52 o  145.858   7.5704   58.231   5.9554   60.525   8.7520   56.252   8.1272  148.485   10.908  143.230   10.501 5.254364 15.14081 
1 1 1  -11    9   53 o  233.457   5.9447  149.203   7.4755  141.548   10.826  156.179   10.335  227.602   8.8024  239.312   7.9921 -11.70992 11.88933 
1 1 1  -11    9   54 o   66.542   14.016   12.843   5.4186   15.048   8.0617   11.025   7.3183   71.155   20.088   61.929   19.553 9.225559 28.03256 
1 1 1  -11    9   55 o   63.000   14.904   7.7932   6.1644   1.6483   7.5123   20.459   10.786   44.334   18.595   81.667   23.297 -37.33316 29.80854 
1 1 1  -11    9   56 o  189.613   7.8699   99.462   7.8760   98.580   10.096  100.833   12.589  189.057   9.8822  190.168   12.251 -1.110550 15.73989 
1 1 1  -11    9   57 o  121.083   11.627   34.879   6.7554   65.180   13.392   24.538   7.8237  150.783   16.437   91.383   16.449 59.39944 23.25358 
1 1 1  -11    9   58 o  185.676   6.8998   96.292   6.8533   84.534   9.9587  106.870   9.4456  174.429   10.566  196.924   8.8765 -22.49483 13.79950 
1 1 1  -11    9   59 o  101.010   10.436   29.060   5.6371   30.597   8.6971   27.946   7.4026  102.942   15.635   99.077   13.827 3.865608 20.87173 
1 1 1  -11    9   60 o  131.559   8.4712   48.688   6.0155   50.428   8.7609   47.137   8.2745  133.713   12.125  129.405   11.833 4.307297 16.94232 
1 1 1  -11    9   61 o  120.241   9.7507   41.823   6.2422   38.989   9.4544   44.013   8.3112  115.904   15.095  124.578   12.346 -8.674019 19.50140 
1 1 1  -11    9   62 o  102.898   10.978   30.497   6.0491   36.379   9.2673   26.131   7.9848  111.461   15.387   94.335   15.664 17.12621 21.95697 
1 1 1  -11    9   63 o  189.163   7.1790  101.199   7.2894  100.177   10.912  102.023   9.7957  187.796   10.753  190.531   9.5144 -2.735077 14.35796 
1 1 1  -11    9   64 o   56.311   14.530   7.8119   6.7425  -3.8945   10.457   16.143   8.8213   42.807   19.687   69.815   21.376 -27.00745 29.06041 
1 1 1  -11    9   65 o   36.291   12.138  -7.1763   6.3061  -9.2989   9.3774  -5.4239   8.5203   35.793   17.122   36.790   17.209 -0.9973183 24.27552 
1 1 1  -11    9   66 o   54.931   14.716   9.3539   6.1549   14.252   9.1076   5.2360   8.3505   62.597   21.870   47.266   19.698 15.33104 29.43283 
1 1 1  -11    9   67 o   34.892   11.759  -6.8750   6.1035  -6.5251   9.0426  -7.1679   8.2722   35.987   17.102   33.798   16.144 2.188641 23.51811 
1 1 1  -11   10    1 o  367.653   7.4660  365.328   14.822  353.829   20.499  377.928   21.458  361.601   10.491  373.705   10.626 -12.10385 14.93205 
1 1 1  -11   10    2 o  686.668   12.113  1277.55   44.899  1243.47   61.840  1315.54   65.295  677.034   16.903  696.302   17.354 -19.26855 24.22549 
1 1 1  -11   10    3 o  161.187   6.3416   70.147   5.5183   74.054   7.9989   66.599   7.6228  165.462   8.9463  156.912   8.9903 8.550201 12.68313 
1 1 1  -11   10    4 o  218.447   6.2333  129.040   7.3556  130.338   10.557  127.815   10.254  219.512   8.9003  217.383   8.7294 2.129852 12.46668 
1 1 1  -11   10    5 o  447.689   8.5881  542.678   20.776  540.766   29.362  544.594   29.402  446.899   12.159  448.480   12.132 -1.581390 17.17622 
1 1 1  -11   10    6 o  619.521   9.5982  1044.00   30.487  1026.35   51.884  1053.30   37.678  615.238   15.606  623.805   11.178 -8.567322 19.19632 
1 1 1  -11   10    7 o   90.335   6.7666   22.341   3.2638   19.345   4.7644   24.990   4.4802   84.549   10.428   96.120   8.6257 -11.57051 13.53323 
1 1 1  -11   10    8 o  562.705   7.2728  856.831   22.114  856.541   31.376  857.117   31.173  562.607   10.320  562.802   10.250 -0.1951294 14.54569 
1 1 1  -11   10    9 o  481.924   7.9526  627.553   19.383  631.757   34.106  625.547   23.557  482.960   13.069  480.888   9.0656 2.072601 15.90523 
1 1 1  -11   10   10 o  742.230   13.069  1495.11   52.408  1474.10   73.274  1517.12   74.988  736.908   18.401  747.552   18.564 -10.64398 26.13842 
1 1 1  -11   10   11 o  244.125   6.6920  161.388   8.8184  155.203   12.591  167.342   12.354  239.521   9.7281  248.729   9.1920 -9.208099 13.38392 
1 1 1  -11   10   12 o  665.625   10.275  1197.03   34.767  1190.50   42.439  1210.36   60.624  663.184   11.842  668.067   16.793 -4.883301 20.54902 
1 1 1  -11   10   13 o  259.074   6.6055  181.449   9.2473   0.0000   0.0000  181.449   9.2473  ?   ?   259.074   6.6055      ?      ? 
1 1 1  -11   10   14 o  605.218   7.7284  991.166   25.274  991.125   35.844  991.206   35.644  605.203   10.960  605.233   10.899 -0.3002930E-01 15.45678 
1 1 1  -11   10   15 o  528.030   6.9255  753.908   19.753  764.046   28.389  744.393   27.502  531.464   9.8854  524.596   9.7019 6.868103 13.85093 
1 1 1  -11   10   16 o  444.674   6.1190  534.017   14.693  515.984   20.331  553.733   21.258  436.827   8.6132  452.521   8.6936 -15.69327 12.23792 
1 1 1  -11   10   17 o  463.421   6.3098  580.545   15.795  587.068   22.704  574.425   21.988  465.939   9.0173  460.903   8.8286 5.036377 12.61966 
1 1 1  -11   10   18 o  640.051   8.1211  1108.19   28.086  1095.65   39.417  1121.12   40.028  636.376   11.462  643.726   11.507 -7.350586 16.24219 
1 1 1  -11   10   19 o  754.371   9.3642  1540.14   38.169  1546.35   54.335  1534.08   53.631  755.868   13.303  752.874   13.183 2.994141 18.72840 
1 1 1  -11   10   20 o  324.549   5.2147  284.722   9.1421  285.084   13.106  284.378   12.759  324.748   7.4683  324.349   7.2799 0.3982239 10.42939 
1 1 1  -11   10   21 o  840.100   10.316  1909.81   46.820  1931.34   67.100  1889.38   65.361  844.702   14.701  835.498   14.477 9.203796 20.63235 
1 1 1  -11   10   22 o  402.558   5.7932  438.122   12.600  434.716   17.936  441.440   17.704  401.011   8.2770  404.105   8.1076 -3.094086 11.58632 
1 1 1  -11   10   23 o  321.983   5.2848  279.827   9.1723  285.719   13.513  274.792   12.490  325.118   7.6917  318.848   7.2495 6.269440 10.56961 
1 1 1  -11   10   24 o  912.062   11.131  2251.89   54.855  2231.42   76.967  2273.03   78.201  907.856   15.689  916.268   15.794 -8.412170 22.26222 
1 1 1  -11   10   25 o  928.831   11.329  2336.00   56.861  2319.75   79.984  2352.61   80.849  925.568   15.992  932.093   16.052 -6.524841 22.65869 
1 1 1  -11   10   26 o  501.412   6.7347  679.788   18.246  670.126   25.714  689.586   25.895  497.823   9.5590  505.002   9.4894 -7.179504 13.46940 
1 1 1  -11   10   27 o  657.026   8.3528  1167.76   29.655  1160.82   41.831  1174.77   42.047  655.063   11.818  658.989   11.808 -3.925415 16.70567 
1 1 1  -11   10   28 o  1214.99   14.625  4004.13   96.008  3969.58  134.671  4039.83  136.908  1209.68   20.602  1220.30   20.762 -10.61902 29.24934 
1 1 1  -11   10   29 o  1046.59   12.697  2969.48   71.808  2959.35  101.352  2979.69  101.753  1044.80   17.952  1048.38   17.961 -3.583130 25.39451 
1 1 1  -11   10   30 o  172.851   6.2970   81.501   5.8307   72.324   8.4762   89.744   8.0334  163.521   9.5927  182.180   8.1603 -18.65903 12.59406 
1 1 1  -11   10   31 o  612.419   7.9757  1013.94   26.380  986.091   36.581  1044.11   38.077  603.671   11.214  621.167   11.344 -17.49567 15.95135 
1 1 1  -11   10   32 o  440.540   6.4258  524.917   15.295  522.585   21.786  527.183   21.478  439.571   9.1718  441.509   9.0024 -1.937805 12.85161 
1 1 1  -11   10   33 o  157.042   7.7912   66.864   6.5652   57.002   9.1674   77.248   9.4065  145.116   11.691  168.968   10.302 -23.85228 15.58237 
1 1 1  -11   10   34 o  1043.87   12.715  2956.94   71.719  2936.06  100.902  2978.26  101.958  1040.16   17.952  1047.59   18.011 -7.434692 25.42989 
1 1 1  -11   10   35 o  268.426   6.0130  195.265   8.7006  188.326   12.614  201.561   12.016  263.857   8.8472  272.996   8.1457 -9.138733 12.02605 
1 1 1  -11   10   36 o  317.986   6.0372  273.974   10.357  262.555   14.854  284.780   14.450  311.513   8.8244  324.459   8.2415 -12.94632 12.07443 
1 1 1  -11   10   37 o  601.978   7.9293  981.319   25.789  984.066   36.833  978.678   36.119  602.792   11.308  601.164   11.119 1.628723 15.85853 
1 1 1  -11   10   38 o  278.017   5.9433  209.205   8.9053  208.786   13.068  209.568   12.168  277.741   8.7074  278.294   8.0915 -0.5530090 11.88660 
1 1 1  -11   10   39 o  318.216   5.8364  274.111   10.018  273.647   14.600  274.525   13.772  317.944   8.4981  318.488   8.0024 -0.5439758 11.67286 
1 1 1  -11   10   40 o  246.500   7.2528  162.601   9.0662  170.608   16.026  158.832   10.995  250.785   11.826  242.215   8.4004 8.569641 14.50567 
1 1 1  -11   10   41 o  257.976   8.0286  179.716   11.163  193.243   16.523  168.356   15.142  266.854   11.458  249.098   11.249 17.75615 16.05730 
1 1 1  -11   10   42 o  273.937   8.0793  204.226   11.897  199.414   17.637  208.243   16.115  270.891   12.049  276.983   10.767 -6.092621 16.15857 
1 1 1  -11   10   43 o  113.850   10.084   35.051   6.0410   47.248   9.0232   25.142   8.1326  131.764   12.673   95.935   15.688 35.82914 20.16708 
1 1 1  -11   10   44 o  317.346   7.1943  273.295   11.856  272.586   14.834  274.549   19.725  317.011   8.6598  317.681   11.491 -0.6693726 14.38854 
1 1 1  -11   10   45 o  255.837   8.5299  175.599   11.665  197.860   18.197  160.068   15.199  269.296   12.505  242.379   11.605 26.91684 17.05979 
1 1 1  -11   10   46 o   47.025   14.926  -4.7636   7.8665  -5.7072   10.776  -3.6869   11.510   45.164   20.468   48.887   21.729 -3.723454 29.85116 
1 1 1  -11   10   47 f   56.737   14.005   7.1197   5.5028   12.411   8.2017   2.7879   7.4210   66.678   20.645   46.796   18.929 19.88241 28.00903 
1 1 1  -11   10   48 o  136.650   8.0919   50.574   5.9377   59.254   8.8418   43.444   8.0136  147.277   11.110  126.023   11.768 21.25359 16.18371 
1 1 1  -11   10   49 o  426.513   6.4101  495.522   14.770  492.043   21.083  498.876   20.698  425.000   9.1801  428.027   8.9490 -3.027893 12.82026 
1 1 1  -11   10   50 o  319.374   5.8388  277.652   10.061  277.210   14.629  278.049   13.860  319.067   8.4848  319.681   8.0235 -0.6140137 11.67768 
1 1 1  -11   10   51 o  340.648   5.8825  316.289   10.813  317.294   15.730  315.390   14.887  341.081   8.5348  340.215   8.0977 0.8658447 11.76503 
1 1 1  -11   10   52 o  144.497   7.8705   58.572   6.0058   50.052   9.0714   65.220   8.0135  134.632   12.469  154.361   9.6072 -19.72940 15.74093 
1 1 1  -11   10   53 o  154.590   7.3028   66.117   6.0460   61.369   8.9640   70.080   8.1891  149.259   11.114  159.920   9.4764 -10.66055 14.60565 
1 1 1  -11   10   54 f  182.351   6.7752   90.859   6.6560  100.930   9.8063   82.256   9.0635  191.706   9.4663  172.997   9.6955 18.70888 13.55040 
1 1 1  -11   10   55 o  392.122   7.7437  424.409   15.610  422.191   19.301  428.604   26.542  392.059   9.1105  392.186   12.524 -0.1278381 15.48741 
1 1 1  -11   10   56 o  187.043   8.6004   96.783   7.7380   99.527   14.857   95.762   9.0645  187.493   14.664  186.592   8.9901 0.9004211 17.20073 
1 1 1  -11   10   57 f   63.943   14.954   7.9989   5.9480   22.340   11.266   2.4559   7.0038   83.922   23.765   43.963   18.157 39.95833 29.90717 
1 1 1  -11   10   58 o   35.707   11.711  -5.1914   5.3567  -6.5374   8.2301  -4.2021   7.0557   36.239   16.939   35.176   16.175 1.062317 23.42109 
1 1 1  -11   10   59 o   56.090   13.547   6.3899   5.6588   16.761   8.5327  -1.7524   7.5606   73.007   20.685   39.173   17.497 33.83373 27.09320 
1 1 1  -11   10   60 o   98.551   11.689   28.499   6.0145   30.157   9.3304   27.321   7.8672   99.777   17.966   97.326   14.959 2.450401 23.37854 
1 1 1  -11   10   61 o   38.792   12.341  -2.3021   5.4985  -6.0287   8.4906   0.3898   7.2160   36.915   17.238   40.669   17.664 -3.754337 24.68110 
1 1 1  -11   10   62 o  116.057   10.110   39.235   6.3267   40.608   9.3144   38.059   8.6205  117.727   14.642  114.386   13.947 3.341713 20.22093 
1 1 1  -11   10   63 o   60.290   14.918   11.569   6.0070   10.385   9.1065   12.482   7.9924   58.444   21.676   62.137   20.503 -3.692852 29.83651 
1 1 1  -11   10   64 o   93.629   17.809   27.339   8.6808   0.0000   0.0000   27.339   8.6808  ?   ?    93.629   17.809      ?      ? 
1 1 1  -11   10   65 o   51.166   14.412   6.1480   6.3247   13.828   9.4671  -0.0431   8.4999   61.517   22.216   40.816   18.367 20.70136 28.82488 
1 1 1  -11   10   66 o  108.131   11.611   36.080   6.5672   44.050   9.9840   30.002   8.7189  119.734   15.431   96.529   17.353 23.20528 23.22208 
1 1 1  -11   10   67 o   57.264   16.614   8.9126   8.6167   22.590   13.482  -0.5320   11.203   70.636   26.340   43.892   20.255 26.74344 33.22719 
1 1 1  -11   11    1 o  709.742   8.8877  1363.48   34.075  1383.62   48.948  1344.54   47.465  714.814   12.672  704.671   12.465 10.14331 17.77536 
1 1 1  -11   11    2 o  678.416   8.5466  1245.89   31.329  1232.85   43.982  1259.32   44.637  674.816   12.061  682.016   12.112 -7.200073 17.09319 
1 1 1  -11   11    4 o  744.948   9.2650  1502.90   37.295  1506.98   52.976  1498.89   52.512  745.946   13.143  743.950   13.063 1.996155 18.52995 
1 1 1  -11   11    5 o  659.403   8.3428  1176.85   29.723  1186.55   42.460  1167.54   41.621  662.057   11.868  656.749   11.728 5.307678 16.68550 
1 1 1  -11   11    7 o  393.512   11.684  419.144   24.845  419.144   24.845   0.0000   0.0000  393.512   11.684  ?   ?       ?      ? 
1 1 1  -11   11    8 o  301.404   7.3073  245.326   11.873  252.252   17.497  239.414   16.165  305.328   10.605  297.479   10.056 7.848724 14.61461 
1 1 1  -11   11    9 o  472.494   9.1141  604.496   23.270  601.126   32.868  607.883   32.949  471.172   12.910  473.816   12.869 -2.643890 18.22829 
1 1 1  -11   11   10 o  849.265   12.771  1962.06   55.577  1973.20   68.591  1940.77   94.833  853.360   14.875  845.169   20.765 8.191711 25.54267 
1 1 1  -11   11   11 o  633.981   8.0570  1087.67   27.599  1092.98   39.336  1082.52   38.733  635.499   11.455  632.462   11.333 3.036682 16.11395 
1 1 1  -11   11   13 o  596.608   7.6652  962.889   24.711  953.432   34.751  972.561   35.145  593.646   10.833  599.570   10.848 -5.924500 15.33046 
1 1 1  -11   11   14 o  489.672   6.5788  648.405   17.407  640.419   24.517  656.523   24.719  486.631   9.3234  492.714   9.2842 -6.082550 13.15763 
1 1 1  -11   11   15 o  550.411   7.2106  819.228   21.441  827.287   30.717  811.572   29.942  553.045   10.279  547.776   10.116 5.268494 14.42125 
1 1 1  -11   11   16 f  708.227   8.8741  1357.18   33.958  1342.53   47.634  1372.31   48.425  704.345   12.515  712.110   12.584 -7.765137 17.74828 
1 1 1  -11   11   17 o  661.529   8.3636  1183.73   29.893  1168.35   41.850  1199.75   42.714  657.146   11.785  665.913   11.870 -8.766541 16.72730 
1 1 1  -11   11   18 o  392.994   5.7497  417.568   12.209  414.443   17.342  420.639   17.191  391.534   8.1966  394.454   8.0654 -2.919739 11.49933 
1 1 1  -11   11   20 o  381.201   5.7076  392.809   11.752  393.089   16.862  392.545   16.389  381.330   8.1830  381.071   7.9591 0.2584839 11.41528 
1 1 1  -11   11   21 o  592.590   7.6576  949.659   24.521  944.137   34.696  955.168   34.658  590.867   10.867  594.312   10.792 -3.445313 15.31528 
1 1 1  -11   11   22 o  1500.81   17.956  6111.02  145.490  5968.46  200.760  6268.69  211.139  1482.50   25.061  1519.12   25.721 -36.62292 35.91120 
1 1 1  -11   11   23 o  1133.73   13.674  3483.97   83.768  3485.04  118.687  3482.90  118.246  1133.90   19.370  1133.56   19.304 0.3349609 27.34712 
1 1 1  -11   11   24 f  462.376   6.4122  577.819   16.018  563.303   22.412  592.976   22.901  456.441   9.0868  468.310   9.0496 -11.86905 12.82442 
1 1 1  -11   11   25 o  280.445   5.2876  212.688   8.0087  205.045   11.338  220.296   11.314  275.413   7.6187  285.477   7.3340 -10.06418 10.57511 
1 1 1  -11   11   26 o  363.446   5.7047  356.551   11.195  342.447   15.468  372.066   16.223  355.910   8.0426  370.981   8.0928 -15.07129 11.40949 
1 1 1  -11   11   27 o  151.292   6.7895   62.530   5.4942   54.675   7.9920   69.570   7.5654  142.178   10.402  160.405   8.7282 -18.22691 13.57910 
1 1 1  -11   11   28 o  660.863   8.4347  1180.71   30.103  1150.12   41.704  1213.99   43.497  651.942   11.838  669.784   12.018 -17.84204 16.86937 
1 1 1  -11   11   29 o  511.921   6.9975  708.856   19.356  700.513   27.279  717.316   27.469  508.886   9.9203  514.956   9.8716 -6.070251 13.99506 
1 1 1  -11   11   30 o  789.869   9.8695  1688.46   42.107  1653.07   58.515  1726.47   60.638  781.302   13.860  798.436   14.055 -17.13342 19.73891 
1 1 1  -11   11   31 o  653.811   8.4561  1156.82   29.873  1139.54   41.985  1174.53   42.514  648.866   11.974  658.756   11.943 -9.889771 16.91216 
1 1 1  -11   11   32 o  907.777   11.187  2233.58   54.869  2204.46   76.849  2263.86   78.367  901.753   15.771  913.802   15.871 -12.04926 22.37416 
1 1 1  -11   11   34 o  486.602   6.9437  640.717   18.253  640.006   26.104  641.398   25.534  486.329   9.9332  486.875   9.7053 -0.5455933 13.88747 
1 1 1  -11   11   35 o  373.579   6.2476  377.687   12.609  369.839   17.880  385.452   17.784  369.711   8.9497  377.448   8.7195 -7.736755 12.49510 
1 1 1  -11   11   36 o  404.093   6.3255  441.396   13.794  450.027   20.115  433.737   18.951  407.806   9.1283  400.381   8.7592 7.424225 12.65105 
1 1 1  -11   11   37 o  514.581   7.1671  713.411   19.874  666.152   26.923  770.001   29.461  495.963   10.046  533.199   10.225 -37.23685 14.33416 
1 1 1  -11   11   38 o  784.092   9.8445  1669.61   41.710  1666.87   59.150  1672.33   58.825  783.437   13.972  784.747   13.872 -1.309570 19.68910 
1 1 1  -11   11   39 o  362.698   7.3644  358.456   13.608  350.676   23.429  362.417   16.718  359.521   12.060  365.875   8.4559 -6.354095 14.72878 
1 1 1  -11   11   40 o  364.062   8.4066  359.300   16.494  365.991   24.322  353.604   22.444  367.143   12.260  360.982   11.506 6.160736 16.81329 
1 1 1  -11   11   41 o  353.745   8.3498  340.298   15.944  326.126   22.718  354.054   22.382  346.425   12.136  361.064   11.472 -14.63916 16.69956 
1 1 1  -11   11   42 o  197.506   6.5030  105.316   6.9237  112.948   10.231   98.867   9.4046  204.072   9.2775  190.940   9.1150 13.13156 13.00597 
1 1 1  -11   11   43 o  345.491   7.3484  325.563   13.109  328.741   16.338  319.820   21.965  348.151   8.6842  342.830   11.857 5.320892 14.69677 
1 1 1  -11   11   44 o  318.724   8.5173  276.949   14.654  276.126   21.189  277.703   20.288  318.204   12.323  319.243   11.761 -1.038849 17.03460 
1 1 1  -11   11   45 o  135.377   12.210   51.023   8.7738   47.027   13.417   54.009   11.597  130.420   19.038  140.334   15.293 -9.914337 24.41976 
1 1 1  -11   11   46 o  227.304   6.0911  140.979   7.4407  132.920   10.912  147.981   10.172  221.130   9.1323  233.478   8.0627 -12.34767 12.18224 
1 1 1  -11   11   47 o  191.499   6.4913   99.781   6.6296   99.978   10.237   99.639   8.7007  191.549   9.8901  191.448   8.4103 0.1009979 12.98261 
1 1 1  -11   11   48 o  107.317   9.9337   32.411   5.5914   28.193   8.6762   35.407   7.3125  100.930   15.908  113.704   11.902 -12.77412 19.86745 
1 1 1  -11   11   49 o  104.149   10.042   30.002   5.5854   29.411   8.5247   30.447   7.3934  103.073   15.305  105.225   13.003 -2.152580 20.08302 
1 1 1  -11   11   50 o  240.106   6.0620  157.215   7.8181  156.965   11.707  157.417   10.504  239.813   9.0339  240.399   8.0859 -0.5858307 12.12403 
1 1 1  -11   11   51 o  396.321   6.2319  428.252   13.310  438.138   19.647  419.866   18.095  400.411   9.0805  392.230   8.5377 8.180908 12.46385 
1 1 1  -11   11   52 o  292.221   5.8334  233.067   9.1852  233.564   13.512  232.640   12.524  292.399   8.5517  292.043   7.9361 0.3566589 11.66678 
1 1 1  -11   11   53 o  154.265   7.5117   65.688   6.2099   64.779   9.3649   66.401   8.2961  153.106   11.319  155.424   9.8779 -2.318573 15.02339 
1 1 1  -11   11   54 o  367.499   7.4813  376.321   14.297  386.845   18.085  358.784   23.346  375.539   8.9119  359.459   12.019 16.07974 14.96259 
1 1 1  -11   11   55 o   72.002   16.221   15.290   6.6028   16.052   12.760   15.012   7.7163   73.542   25.875   70.462   19.569 3.080452 32.44146 
1 1 1  -11   11   56 o  103.202   13.177   24.477   6.5431   53.716   13.238   15.024   7.5269  136.003   18.013   70.400   19.238 65.60289 26.35450 
1 1 1  -11   11   57 o   66.021   12.416   12.779   5.6662  -1.3220   8.5718   23.722   7.5513   42.472   18.821   89.570   16.198 -47.09750 24.83110 
1 1 1  -11   11   58 o   48.734   13.290   4.0270   5.5523  -4.1727   8.5816   9.9311   7.2819   39.265   17.975   58.203   19.580 -18.93781 26.57926 
1 1 1  -11   11   59 o  112.298   9.9617   36.173   5.9686   35.421   9.1218   36.736   7.8927  110.741   15.243  113.855   12.829 -3.114372 19.92331 
1 1 1  -11   11   60 o   81.896   13.073   22.076   5.9362   11.963   9.1129   29.530   7.8240   62.671   21.877  101.120   14.319 -38.44902 26.14660 
1 1 1  -11   11   61 o  160.650   8.0110   73.368   6.8769   69.558   10.352   76.378   9.2006  156.291   12.257  165.009   10.319 -8.717834 16.02209 
1 1 1  -11   11   62 o  108.290   11.621   35.378   6.5467   44.106   9.7700   28.265   8.8196  121.885   14.834   94.695   17.892 27.19009 23.24121 
1 1 1  -11   11   63 o  100.517   12.952   33.376   6.5834   20.088   9.7690   44.431   8.9106   77.229   22.217  123.805   13.319 -46.57542 25.90335 
1 1 1  -11   11   64 o   55.876   14.225   8.8216   6.2198  -0.0488   9.3982   15.735   8.2967   43.674   19.508   68.078   20.708 -24.40465 28.44958 
1 1 1  -11   11   65 o  152.508   8.8917   70.160   7.1607   58.327   10.567   80.208   9.7375  138.647   14.104  166.369   10.831 -27.72174 17.78348 
1 1 1  -11   11   66 o  129.572   12.551   53.138   7.8466   59.167   14.947   50.845   9.2192  129.332   21.387  129.811   13.143 -0.4790192 25.10275 
1 1 1  -11   12    1 o  496.979   9.5213  668.104   25.570   0.0000   0.0000  668.104   25.570  ?   ?   496.979   9.5213      ?      ? 
1 1 1  -11   12    3 o  169.219   7.8052   77.428   7.1372   77.428   7.1372   0.0000   0.0000  169.219   7.8052  ?   ?       ?      ? 
1 1 1  -11   12    4 o  921.470   11.280  2301.63   56.166  2296.07   79.320  2307.21   79.543  920.355   15.949  922.585   15.955 -2.229492 22.55993 
1 1 1  -11   12    5 o  813.157   14.296  1795.73   62.817  1784.01   88.440  1807.66   89.238  810.485   20.194  815.829   20.242 -5.343994 28.59260 
1 1 1  -11   12    6 o  896.441   15.620  2182.82   75.612  2227.25  109.350  2142.12  104.667  905.109   22.358  887.773   21.818 17.33545 31.23954 
1 1 1  -11   12    7 o  457.501   9.0313  566.630   22.326  558.558   31.503  574.775   31.644  454.223   12.835  460.779   12.709 -6.555389 18.06263 
1 1 1  -11   12    8 o  798.288   19.797  1729.73   85.396   0.0000   0.0000  1729.73   85.396  ?   ?   798.288   19.797      ?      ? 
1 1 1  -11   12    9 o  753.029   9.3936  1534.77   38.218  1514.91   53.488  1555.48   54.627  748.060   13.232  757.998   13.337 -9.937866 18.78721 
1 1 1  -11   12   10 o  123.197   6.3308   40.989   4.2111   42.336   6.1082   39.769   5.8134  125.122   9.0343  121.272   8.8712 3.850143 12.66159 
1 1 1  -11   12   11 o  475.166   6.4655  610.559   16.599  610.957   23.647  610.172   23.307  475.315   9.2066  475.016   9.0801 0.2994385 12.93095 
1 1 1  -11   12   12 o   94.204   10.331   24.004   5.2587   0.0000   0.0000   24.004   5.2587  ?   ?    94.204   10.331      ?      ? 
1 1 1  -11   12   13 o  382.744   5.6960  395.965   11.774  398.775   16.972  393.359   16.346  384.049   8.1784  381.440   7.9305 2.609375 11.39201 
1 1 1  -11   12   14 o  187.526   5.1817   95.195   5.2428   91.926   7.5413   98.253   7.2937  184.403   7.5681  190.650   7.0799 -6.247040 10.36343 
1 1 1  -11   12   15 o   61.818   11.344   10.280   3.8943   14.756   5.9411   6.9089   5.1567   72.431   15.637   51.204   16.439 21.22639 22.68883 
1 1 1  -11   12   16 o  535.673   7.1100  775.924   20.580  769.039   28.978  782.930   29.233  533.275   10.056  538.070   10.054 -4.795166 14.22009 
1 1 1  -11   12   17 o  473.583   6.5253  606.286   16.692  610.206   23.979  602.600   23.250  475.064   9.3411  472.102   9.1138 2.961823 13.05061 
1 1 1  -11   12   18 o  838.966   10.350  1904.92   46.922  1899.81   66.342  1910.03   66.374  837.839   14.653  840.092   14.621 -2.253845 20.70031 
1 1 1  -11   12   19 o  544.641   7.2130  801.281   21.216  778.029   29.402  826.543   30.645  536.408   10.144  552.874   10.258 -16.46600 14.42609 
1 1 1  -11   12   20 o  479.856   6.5682  622.394   17.029  611.273   23.849  633.960   24.323  475.484   9.2820  484.227   9.2956 -8.742798 13.13631 
1 1 1  -11   12   21 o  991.183   12.053  2660.73   64.550  2638.61   90.623  2683.51   91.966  987.010   16.991  995.356   17.099 -8.345764 24.10548 
1 1 1  -11   12   22 o  229.906   5.3241  142.621   6.5966  146.292   9.7412  139.510   8.9651  232.631   7.7492  227.182   7.3029 5.449493 10.64812 
1 1 1  -11   12   23 o  315.252   5.4753  268.640   9.3131  269.019   13.555  268.302   12.818  315.458   7.9517  315.046   7.5291 0.4119873 10.95069 
1 1 1  -11   12   24 o  1031.87   12.534  2883.73   69.866  2839.12   97.380  2931.06  100.296  1023.67   17.604  1040.08   17.846 -16.40344 25.06748 
1 1 1  -11   12   25 o  616.768   7.9890  1028.29   26.614  1004.59   36.975  1053.77   38.338  609.403   11.228  624.132   11.367 -14.72900 15.97803 
1 1 1  -11   12   26 o  290.929   5.5797  228.852   8.7693  221.992   12.374  235.773   12.429  286.546   7.9916  295.312   7.7889 -8.765137 11.15941 
1 1 1  -11   12   27 f  500.186   6.8998  676.374   18.644  659.871   26.030  693.761   26.718  493.924   9.7528  506.448   9.7629 -12.52429 13.79966 
1 1 1  -11   12   28 o  607.410   7.9369  998.306   26.050  987.937   36.694  1008.84   36.988  604.229   11.238  610.591   11.211 -6.361877 15.87382 
1 1 1  -11   12   29 f  275.787   5.9718  205.960   8.8867  197.866   12.742  213.626   12.400  270.496   8.7173  281.078   8.1644 -10.58130 11.94357 
1 1 1  -11   12   30 o  770.390   9.6911  1605.25   40.307  1558.83   55.593  1656.69   58.527  758.683   13.560  782.096   13.849 -23.41278 19.38216 
1 1 1  -11   12   31 o  397.134   6.3521  426.490   13.629  415.819   19.122  437.507   19.430  392.085   9.0255  402.184   8.9406 -10.09891 12.70412 
1 1 1  -11   12   33 o  457.011   6.6946  564.626   16.525  544.210   22.991  586.445   23.768  448.471   9.4870  465.551   9.4480 -17.08005 13.38910 
1 1 1  -11   12   34 o   79.211   14.912   17.480   6.6187   22.666   9.5582   12.702   9.1741   89.506   20.237   68.916   21.906 20.59043 29.82310 
1 1 1  -11   12   35 o  534.637   7.3462  773.911   21.221  760.640   29.990  787.219   30.032  530.038   10.471  539.237   10.307 -9.198608 14.69231 
1 1 1  -11   12   36 o  483.810   6.9112  633.982   18.063  628.565   25.800  639.190   25.297  481.767   9.9104  485.853   9.6354 -4.086029 13.82238 
1 1 1  -11   12   37 o  461.142   9.3300  575.878   23.249   0.0000   0.0000  575.878   23.249  ?   ?   461.142   9.3300      ?      ? 
1 1 1  -11   12   38 o  422.775   8.9017  485.250   20.328  479.955   29.074  490.315   28.433  420.486   12.796  425.064   12.379 -4.577942 17.80345 
1 1 1  -11   12   39 o  194.883   9.1811  103.837   9.5083   99.392   14.679  107.049   12.480  191.161   14.210  198.606   11.629 -7.445435 18.36228 
1 1 1  -11   12   40 o  255.123   8.3916  178.941   11.429  155.586   16.723  199.414   15.657  239.181   12.939  271.065   10.689 -31.88362 16.78318 
1 1 1  -11   12   41 o  262.672   5.9715  186.092   8.4322  195.624   12.703  178.584   11.275  268.625   8.7511  256.719   8.1275 11.90637 11.94308 
1 1 1  -11   12   42 o  252.870   7.6193  169.637   9.9150  160.885   12.138  187.185   17.187  243.499   9.2252  262.240   12.129 -18.74081 15.23854 
1 1 1  -11   12   43 f  143.687   12.149   56.769   9.3899   64.144   13.504   49.865   13.066  152.840   16.350  134.534   17.973 18.30627 24.29722 
1 1 1  -11   12   44 o  350.644   8.8169  335.550   16.700  325.000   23.578  346.171   23.658  345.063   12.645  356.225   12.290 -11.16180 17.63372 
1 1 1  -11   12   45 o  360.089   6.1235  351.097   11.858  363.204   17.781  341.400   15.913  365.585   9.0008  354.594   8.3051 10.99149 12.24703 
1 1 1  -11   12   46 o  218.588   6.1839  130.616   7.2610  121.882   10.633  138.249   9.9394  211.612   9.2987  225.564   8.1546 -13.95235 12.36783 
1 1 1  -11   12   47 o   48.140   13.730   3.2130   5.4504   3.1292   8.3990   3.2741   7.1637   49.454   20.091   46.826   18.718 2.628258 27.45915 
1 1 1  -11   12   48 o  152.699   7.4309   64.064   6.0751   60.802   9.0940   66.693   8.1640  149.036   11.292  156.361   9.6624 -7.325302 14.86187 
1 1 1  -11   12   49 o  223.422   6.2981  136.396   7.5609  133.785   11.245  138.551   10.214  221.346   9.4018  225.498   8.3826 -4.151794 12.59614 
1 1 1  -11   12   50 o  110.865   9.6683   33.446   5.7391   39.196   8.8557   29.282   7.5357  118.910   13.782  102.819   13.563 16.09130 19.33664 
1 1 1  -11   12   51 o  257.121   6.0554  180.394   8.3703  182.235   12.512  178.903   11.261  258.173   8.9687  256.069   8.1385 2.104462 12.11084 
1 1 1  -11   12   52 o  127.062   9.1729   45.090   6.2368   43.197   9.3773   46.591   8.3517  124.380   13.952  129.744   11.912 -5.364433 18.34584 
1 1 1  -11   12   53 o  226.089   7.9520  135.104   9.2644  121.923   11.281  162.410   16.237  210.491   9.9179  241.687   12.433 -31.19646 15.90401 
1 1 1  -11   12   54 o  237.586   6.4377  155.072   8.2474  157.338   12.100  153.105   11.271  239.085   9.3661  236.087   8.8348 2.998520 12.87544 
1 1 1  -11   12   55 o   61.513   15.333   3.9710   6.6372   22.793   12.416  -3.5601   7.8535   84.664   25.238   38.362   17.420 46.30186 30.66646 
1 1 1  -11   12   56 o  154.989   7.6371   65.969   6.3531   74.619   9.6893   59.446   8.4142  163.726   10.952  146.252   10.647 17.47354 15.27410 
1 1 1  -11   12   57 o  181.518   7.2069   93.594   6.9003   74.828   10.118  109.909   9.4346  163.459   11.455  199.576   8.7483 -36.11703 14.41381 
1 1 1  -11   12   58 o  111.917   10.188   36.222   6.0619   34.050   9.2519   37.857   8.0243  108.284   15.812  115.549   12.851 -7.265335 20.37569 
1 1 1  -11   12   59 o   49.671   13.871   2.8059   5.8578   11.282   9.0745  -3.2489   7.6698   61.676   21.808   37.665   17.147 24.01059 27.74135 
1 1 1  -11   12   60 o  272.186   6.3364  206.347   9.2881  197.453   13.508  214.324   12.792  266.243   9.3888  278.130   8.5117 -11.88620 12.67276 
1 1 1  -11   12   61 o   59.188   12.641   3.4051   6.1608   25.136   9.4630 -12.5820   8.1166   87.668   20.365   30.707   14.982 56.96081 25.28231 
1 1 1  -11   12   62 o  274.175   6.3972  209.744   9.4611  216.391   13.874  203.966   12.935  278.036   9.2343  270.314   8.8557 7.722198 12.79438 
1 1 1  -11   12   63 o  159.814   8.5357   72.219   7.3102   82.243   11.257   64.909   9.6131  169.063   12.322  150.565   11.815 18.49803 17.07148 
1 1 1  -11   12   64 o  229.663   6.8631  150.805   8.4571  158.442   12.856  144.980   11.229  234.096   10.163  225.231   9.2260 8.864624 13.72626 
1 1 1  -11   12   65 o   57.080   16.310   10.254   7.5420   7.6396   14.146   11.292   8.9147   56.235   24.573   57.924   21.454 -1.689125 32.62037 
1 1 1  -11   13    1 o  117.497   6.8236   37.227   4.3160   42.054   6.2778   32.901   5.9434  124.702   9.3164  110.292   9.9725 14.40978 13.64721 
1 1 1  -11   13    2 o   90.416   12.712   24.802   5.0548   18.570   10.614   26.631   5.7485   81.614   23.052   99.219   10.722 -17.60533 25.42369 
1 1 1  -11   13    3 o  341.724   8.1040  315.538   14.955  302.027   20.736  330.180   21.587  334.110   11.486  349.337   11.436 -15.22714 16.20791 
1 1 1  -11   13    4 o  798.974   14.111  1729.47   60.842  1779.28   88.775  1685.36   83.549  809.749   20.289  788.200   19.616 21.54968 28.22111 
1 1 1  -11   13    5 o  698.544   12.533  1322.61   47.303  1329.73   67.540  1315.77   66.269  700.372   17.846  696.716   17.602 3.655640 25.06651 
1 1 1  -11   13    6 o  677.075   8.5864  1240.42   31.414  1229.52   44.220  1251.53   44.635  674.072   12.140  680.078   12.146 -6.006409 17.17278 
1 1 1  -11   13    7 o  583.264   10.699  920.241   33.721   0.0000   0.0000  920.241   33.721  ?   ?   583.264   10.699      ?      ? 
1 1 1  -11   13    8 o  267.153   5.1322  192.611   7.3923  197.582   10.878  188.346   10.076  270.347   7.4464  263.960   7.0645 6.386902 10.26434 
1 1 1  -11   13    9 o  522.927   7.0186  739.131   19.826  721.884   27.628  757.444   28.468  516.642   9.8964  529.211   9.9551 -12.56885 14.03716 
1 1 1  -11   13   10 o  887.939   10.913  2135.07   52.361  2118.84   73.638  2151.68   74.468  884.528   15.406  891.349   15.461 -6.821106 21.82644 
1 1 1  -11   13   11 o  689.999   8.7178  1287.85   32.496  1302.74   46.596  1273.74   45.343  693.875   12.427  686.123   12.230 7.751099 17.43569 
1 1 1  -11   13   12 o  459.662   6.4062  571.330   15.911  563.721   22.515  578.920   22.487  456.602   9.1254  462.722   8.9935 -6.119781 12.81240 
1 1 1  -11   13   13 o  699.013   8.8175  1321.83   33.302  1329.42   47.519  1314.51   46.683  700.978   12.545  697.049   12.394 3.929626 17.63495 
1 1 1  -11   13   14 o  203.142   5.4403  111.666   5.9624  109.196   8.6228  113.929   8.2535  200.984   7.9396  205.300   7.4398 -4.316010 10.88060 
1 1 1  -11   13   15 o  834.177   10.305  1883.13   46.451  1870.58   65.372  1895.92   66.015  831.374   14.551  836.981   14.596 -5.606262 20.61050 
1 1 1  -11   13   16 o  835.326   10.325  1888.08   46.599  1867.73   65.362  1909.12   66.452  830.752   14.560  839.900   14.642 -9.148254 20.64901 
1 1 1  -11   13   17 o  766.002   9.5549  1587.38   39.546  1570.29   55.473  1605.05   56.392  761.812   13.476  770.193   13.550 -8.380371 19.10973 
1 1 1  -11   13   18 o  185.466   5.8641   93.569   5.8388   85.984   8.5258  100.270   8.0127  178.335   8.8473  192.596   7.6991 -14.26123 11.72825 
1 1 1  -11   13   19 o  422.406   6.1440  482.182   14.015  488.015   20.237  476.806   19.427  424.856   8.8151  419.957   8.5609 4.899414 12.28801 
1 1 1  -11   13   20 f  721.659   9.0689  1409.12   35.365  1405.84   50.049  1412.40   49.979  720.819   12.849  722.500   12.801 -1.681641 18.13788 
1 1 1  -11   13   21 o  691.688   12.378  1294.39   46.263   0.0000   0.0000  1294.39   46.263  ?   ?   691.688   12.378      ?      ? 
1 1 1  -11   13   22 o  374.168   5.8918  377.686   11.900  357.584   16.406  400.000   17.285  363.685   8.3482  384.651   8.3162 -20.96643 11.78353 
1 1 1  -11   13   23 o  498.891   6.8584  672.315   18.478  650.800   25.605  695.696   26.693  490.574   9.6591  507.209   9.7391 -16.63538 13.71671 
1 1 1  -11   13   24 o  907.799   11.170  2231.45   54.781  2196.61   76.447  2268.21   78.539  900.532   15.710  915.065   15.884 -14.53265 22.34021 
1 1 1  -11   13   25 o  268.797   5.7064  195.446   8.2839  192.063   11.850  198.679   11.585  266.517   8.2284  271.077   7.9086 -4.559875 11.41280 
1 1 1  -11   13   26 o  1075.61   13.073  3138.84   75.984  3128.02  107.256  3149.73  107.659  1073.76   18.485  1077.47   18.491 -3.717285 26.14612 
1 1 1  -11   13   27 o  705.322   8.9915  1346.36   34.265  1326.59   47.969  1366.95   48.962  700.041   12.681  710.604   12.751 -10.56317 17.98309 
1 1 1  -11   13   28 o  399.357   6.3290  431.394   13.655  422.289   19.334  440.456   19.289  395.147   9.0547  403.567   8.8454 -8.419312 12.65809 
1 1 1  -11   13   29 o  326.070   6.0635  287.691   10.671  270.835   15.045  304.759   15.139  316.444   8.7983  335.696   8.3458 -19.25177 12.12690 
1 1 1  -11   13   30 o  530.094   7.3598  760.303   21.080  747.487   29.709  773.297   29.916  525.591   10.460  534.596   10.356 -9.004883 14.71952 
1 1 1  -11   13   31 o  761.213   9.6319  1568.16   39.593  1526.73   54.797  1613.42   57.271  750.720   13.508  771.705   13.734 -20.98505 19.26376 
1 1 1  -11   13   32 o  356.047   6.2445  343.123   12.009  334.317   17.074  351.745   16.894  351.515   8.9887  360.579   8.6706 -9.063385 12.48903 
1 1 1  -11   13   33 o  401.479   6.3852  436.122   13.848  421.683   19.492  450.836   19.677  394.763   9.1377  408.196   8.9209 -13.43234 12.77031 
1 1 1  -11   13   34 f  451.731   6.7553  550.644   16.464  520.037   22.541  585.641   24.103  438.321   9.5169  465.141   9.5897 -26.82037 13.51053 
1 1 1  -11   13   35 o  175.282   7.7726   86.088   7.1148   67.104   10.698  101.142   9.5268  157.285   12.588  193.279   9.1217 -35.99377 15.54513 
1 1 1  -11   13   36 o  298.576   6.1639  242.010   9.9178  227.199   14.247  255.937   13.815  289.661   9.1020  307.492   8.3144 -17.83078 12.32784 
1 1 1  -11   13   37 o  380.462   8.5517  393.161   17.564  378.378   25.060  407.432   24.624  373.382   12.421  387.543   11.758 -14.16077 17.10348 
1 1 1  -11   13   38 o  218.489   9.0035  130.824   10.443  123.131   16.093  136.419   13.725  212.767   13.997  224.212   11.328 -11.44432 18.00699 
1 1 1  -11   13   39 o  228.937   7.3126  139.479   8.8362  130.302   11.192  154.662   14.397  219.215   9.4484  238.659   11.163 -19.44460 14.62510 
1 1 1  -11   13   40 o  170.435   7.2895   77.835   6.6688   90.593   10.089   67.933   8.8875  182.686   10.220  158.184   10.398 24.50226 14.57907 
1 1 1  -11   13   41 o  485.563   10.011  642.516   26.244  617.568   36.235  670.045   38.063  475.685   14.097  495.441   14.217 -19.75568 20.02133 
1 1 1  -11   13   42 o  536.522   10.623  786.297   30.752  747.072   42.118  831.081   45.004  522.280   14.924  550.764   15.122 -28.48413 21.24568 
1 1 1  -11   13   43 o  487.763   9.9843  649.379   26.258  674.775   38.694  627.703   35.749  496.446   14.424  479.080   13.809 17.36563 19.96863 
1 1 1  -11   13   44 o  168.706   7.3806   76.825   6.6837   83.197   10.186   72.007   8.8574  174.752   10.786  162.661   10.077 12.09122 14.76128 
1 1 1  -11   13   45 o  198.822   6.4931  108.007   6.9282  103.374   10.290  111.849   9.3702  194.812   9.7751  202.833   8.5491 -8.021606 12.98616 
1 1 1  -11   13   46 o  169.107   7.2490   78.591   6.5098   74.815   10.053   81.318   8.5429  165.414   11.247  172.801   9.1490 -7.386917 14.49799 
1 1 1  -11   13   47 o  198.880   6.6913  108.664   7.1344   96.108   10.300  120.245   9.8919  187.613   10.159  210.146   8.7110 -22.53291 13.38270 
1 1 1  -11   13   48 f  280.098   6.0649  213.747   9.1406  214.605   13.577  213.036   12.362  280.502   8.9572  279.694   8.1794 0.8080750 12.12985 
1 1 1  -11   13   49 o  102.323   10.955   29.015   6.0015   30.625   9.2246   27.832   7.9028  104.591   16.322  100.054   14.617 4.537117 21.91005 
1 1 1  -11   13   50 o  313.291   5.9946  268.536   10.111  260.645   14.818  275.410   13.832  308.817   8.8800  317.766   8.0552 -8.948425 11.98919 
1 1 1  -11   13   51 o  230.046   6.2770  145.300   7.7588  140.402   11.486  149.411   10.522  226.289   9.3934  233.802   8.3286 -7.512772 12.55393 
1 1 1  -11   13   52 o  178.266   8.8016   89.511   8.2024   93.537   10.511   83.243   13.116  184.159   10.563  172.372   14.082 11.78745 17.60314 
1 1 1  -11   13   53 o  114.817   12.459   36.710   7.3386   26.859   9.4371   51.779   11.672   94.761   19.090  134.873   16.016 -40.11173 24.91816 
1 1 1  -11   13   54 o   46.616   14.319   0.8468   6.2161  -2.3491   11.911   2.0432   7.2873   49.118   21.949   44.113   18.394 5.004028 28.63705 
1 1 1  -11   13   55 o   93.549   12.735   28.710   6.0485   15.309   9.4259   38.090   7.8862   70.598   22.177  116.501   12.527 -45.90305 25.47044 
1 1 1  -11   13   56 o  240.934   6.3708  160.093   8.2168  161.901   12.529  158.728   10.885  241.780   9.5896  240.089   8.3899 1.690964 12.74168 
1 1 1  -11   13   57 o  204.007   6.9355  116.622   7.5536  108.200   11.336  123.348   10.130  196.812   10.659  211.201   8.8764 -14.38843 13.87103 
1 1 1  -11   13   58 o  178.390   7.4408   88.500   7.1136   91.745   10.850   86.054   9.4208  180.919   11.099  175.861   9.9136 5.058762 14.88151 
1 1 1  -11   13   59 o  211.902   6.8221  125.193   7.7479  125.926   11.734  124.627   10.317  212.027   10.242  211.777   9.0152 0.2498779 13.64428 
1 1 1  -11   13   60 o  176.865   7.6166   87.563   7.2372   95.940   10.981   81.128   9.6230  184.082   11.039  169.649   10.497 14.43335 15.23316 
1 1 1  -11   13   61 o  330.052   6.3426  304.649   11.285  305.286   16.539  304.094   15.436  329.986   9.2754  330.119   8.6535 -0.1328735 12.68527 
1 1 1  -11   13   62 o  179.334   8.1083   92.312   7.7757   83.902   11.475   99.452   10.573  170.924   12.424  187.744   10.422 -16.81998 16.21655 
1 1 1  -11   13   63 o  271.031   6.5758  206.701   9.5483  227.642   14.713  191.463   12.550  282.226   9.6472  259.836   8.9386 22.39017 13.15170 
1 1 1  -11   13   64 o   69.309   16.692   18.473   7.6549   13.086   14.169   20.694   9.0966   62.105   25.751   76.513   21.246 -14.40778 33.38463 
1 1 1  -11   13   65 o  145.834   13.181   71.495   10.311   76.126   15.688   67.973   13.681  148.492   19.552  143.176   17.683 5.315781 26.36223 
1 1 1  -11   14    1 o  843.158   14.876  1928.64   67.770  1909.46   95.113  1948.42   96.586  838.910   20.981  847.407   21.093 -8.497192 29.75102 
1 1 1  -11   14    2 o  363.672   8.6331  356.160   16.907  377.477   25.211  338.739   22.791  373.502   12.492  353.842   11.920 19.66055 17.26621 
1 1 1  -11   14    5 o  387.217   5.9065  405.368   12.354  405.325   17.718  405.409   17.235  387.193   8.4683  387.241   8.2363 -0.4721069E-01 11.81306 
1 1 1  -11   14    6 o  488.207   9.5232  644.504   25.123   0.0000   0.0000  644.504   25.123  ?   ?   488.207   9.5232      ?      ? 
1 1 1  -11   14    7 o  262.396   5.4306  185.607   7.6739  192.096   11.408  180.244   10.371  266.569   7.9197  258.223   7.4325 8.345398 10.86117 
1 1 1  -11   14    9 o  713.035   8.9960  1375.51   34.660  1378.50   49.267  1372.57   48.770  713.800   12.773  712.270   12.671 1.529419 17.99192 
1 1 1  -11   14   10 f  349.584   7.8599  330.354   14.848   0.0000   0.0000  330.354   14.848  ?   ?   349.584   7.8599      ?      ? 
1 1 1  -11   14   11 o  619.859   8.0192  1038.98   26.858  1026.16   37.658  1052.26   38.315  615.968   11.314  623.751   11.368 -7.782715 16.03845 
1 1 1  -11   14   12 o  714.648   9.0273  1381.62   34.861  1375.78   49.226  1387.49   49.375  713.133   12.774  716.162   12.759 -3.029114 18.05451 
1 1 1  -11   14   14 o  378.318   8.1337  386.904   16.628   0.0000   0.0000  386.904   16.628  ?   ?   378.318   8.1337      ?      ? 
1 1 1  -11   14   15 o  280.560   7.5251  212.773   11.408   0.0000   0.0000  212.773   11.408  ?   ?   280.560   7.5251      ?      ? 
1 1 1  -11   14   16 o  420.190   6.1580  477.362   13.981  469.163   19.748  485.600   19.796  416.571   8.7728  423.809   8.6441 -7.238495 12.31596 
1 1 1  -11   14   18 o  738.542   9.2803  1475.30   37.026  1450.01   51.629  1502.08   53.129  732.034   13.052  745.050   13.196 -13.01556 18.56063 
1 1 1  -11   14   19 o  916.364   11.255  2273.58   55.724  2252.30   78.164  2295.57   79.463  912.011   15.861  920.717   15.972 -8.706116 22.50899 
1 1 1  -11   14   20 o  337.880   5.8345  308.270   10.646  294.535   14.781  323.072   15.345  330.069   8.2874  345.691   8.2148 -15.62210 11.66897 
1 1 1  -11   14   21 o  1134.24   13.736  3483.10   84.086  3385.16  115.544  3593.36  122.601  1117.38   19.136  1151.10   19.710 -33.72607 27.47179 
1 1 1  -11   14   22 o  597.750   7.8673  966.135   25.405  945.764   35.427  987.701   36.450  591.270   11.088  604.231   11.164 -12.96173 15.73451 
1 1 1  -11   14   23 o  303.277   5.7674  248.585   9.4490  240.790   13.219  256.729   13.512  298.417   8.1977  308.138   8.1147 -9.720734 11.53476 
1 1 1  -11   14   24 o  326.470   5.9440  288.411   10.471  284.163   15.152  292.295   14.488  324.158   8.6502  328.781   8.1548 -4.622375 11.88810 
1 1 1  -11   14   25 o  606.765   8.0223  995.864   26.298  976.399   36.749  1016.29   37.649  600.693   11.322  612.838   11.369 -12.14502 16.04461 
1 1 1  -11   14   26 o  1101.81   13.417  3291.56   79.836  3221.26  110.627  3367.98  115.330  1089.59   18.789  1114.03   19.158 -24.44312 26.83425 
1 1 1  -11   14   28 o  327.587   6.2365  290.422   11.026  286.620   15.939  293.911   15.269  325.521   9.0613  329.655   8.5714 -4.133881 12.47300 
1 1 1  -11   14   29 o  179.086   10.951   86.797   10.598   0.0000   0.0000   86.797   10.598  ?   ?   179.086   10.951      ?      ? 
1 1 1  -11   14   30 o  414.521   6.5301  464.169   14.615  442.429   20.228  487.917   21.141  404.380   9.2569  424.663   9.2129 -20.28238 13.06016 
1 1 1  -11   14   31 o  232.007   6.7157  144.877   8.3819  153.767   12.588  137.794   11.235  238.356   9.7730  225.658   9.2138 12.69794 13.43149 
1 1 1  -11   14   32 o  298.419   6.2743  240.755   10.086  215.511   14.021  267.826   14.519  282.206   9.1942  314.633   8.5400 -32.42691 12.54851 
1 1 1  -11   14   33 o  479.622   6.9652  622.458   18.046  602.491   25.164  643.596   25.892  471.707   9.8724  487.538   9.8281 -15.83047 13.93040 
1 1 1  -11   14   34 o  530.059   7.3744  761.187   21.111  763.567   30.380  758.963   29.357  530.837   10.591  529.281   10.264 1.555969 14.74885 
1 1 1  -11   14   35 o  232.502   8.4839  144.034   9.5943  152.613   18.305  140.785   11.266  236.997   14.293  228.007   9.1439 8.990387 16.96782 
1 1 1  -11   14   36 o  672.012   12.302  1229.22   44.588  1265.54   65.444  1197.75   60.913  681.124   17.781  662.900   17.005 18.22412 24.60340 
1 1 1  -11   14   37 o  526.011   10.288  753.425   29.234  734.459   41.394  772.297   41.292  519.350   14.750  532.672   14.346 -13.32196 20.57571 
1 1 1  -11   14   38 o  362.427   6.2178  356.162   12.172  344.849   17.248  367.386   17.179  356.671   8.9489  368.182   8.6348 -11.51187 12.43554 
1 1 1  -11   14   39 o  159.912   8.0837   70.434   6.8554   55.255   9.7348   85.368   9.6557  142.484   12.644  177.340   10.076 -34.85591 16.16748 
1 1 1  -11   14   40 o  354.332   8.8121  341.928   16.865  344.369   24.247  339.640   23.473  355.520   12.622  353.144   12.301 2.375916 17.62414 
1 1 1  -11   14   41 o  376.161   9.0180  385.927   18.324  375.901   25.505  396.622   26.343  371.126   12.718  381.196   12.789 -10.07028 18.03596 
1 1 1  -11   14   42 f  129.114   13.614   46.826   9.0284   34.302   12.388   61.014   13.185  109.236   21.751  148.992   16.377 -39.75629 27.22747 
1 1 1  -11   14   43 o  257.797   6.1649  181.126   8.5508  162.331   12.122  199.741   12.063  244.366   9.1800  271.227   8.2310 -26.86124 12.32971 
1 1 1  -11   14   44 o  259.597   5.9896  182.511   8.3418  188.820   12.665  177.676   11.086  263.462   8.8960  255.731   8.0227 7.730865 11.97921 
1 1 1  -11   14   45 o  249.352   6.0217  168.652   8.0711  173.859   12.126  164.510   10.815  252.723   8.8792  245.980   8.1365 6.742142 12.04336 
1 1 1  -11   14   46 o  212.652   6.5072  122.605   7.4196  128.206   11.316  118.382   9.8265  216.796   9.6599  208.508   8.7214 8.288025 13.01446 
1 1 1  -11   14   47 o  139.560   8.4627   53.976   6.2862   50.513   9.5760   56.599   8.3331  135.363   13.092  143.757   10.727 -8.394073 16.92536 
1 1 1  -11   14   48 o  396.508   6.3394  429.754   13.571  413.344   19.309  445.775   19.079  388.914   9.1878  404.102   8.7371 -15.18793 12.67878 
1 1 1  -11   14   49 o  134.623   8.8106   49.919   6.3700   51.474   9.6128   48.701   8.5055  136.343   13.048  132.904   11.843 3.439224 17.62112 
1 1 1  -11   14   50 o   73.411   14.104   16.380   5.7940   12.870   9.0266   18.840   7.5560   66.868   21.776   79.954   17.931 -13.08643 28.20807 
1 1 1  -11   14   51 o  171.645   9.2714   82.953   8.2029   85.041   10.262   79.257   13.652  175.514   10.820  167.775   15.059 7.739655 18.54271 
1 1 1  -11   14   52 o  137.919   10.674   51.453   7.7366   44.223   9.6624   64.369   12.914  125.340   14.266  150.498   15.880 -25.15806 21.34721 
1 1 1  -11   14   53 o  136.696   10.333   50.581   6.9334   58.604   13.223   47.538   8.1426  142.669   17.151  130.722   11.527 11.94727 20.66504 
1 1 1  -11   14   54 o   75.920   14.226   17.348   5.8454   19.930   9.2446   15.628   7.5452   80.198   21.062   71.642   19.130 8.556061 28.45266 
1 1 1  -11   14   55 o  203.443   6.7577  114.159   7.3919  118.603   11.102  110.621   9.9068  206.790   9.9357  200.097   9.1623 6.692444 13.51545 
1 1 1  -11   14   56 o   79.710   14.123   19.558   6.0608   23.245   9.1604   16.687   8.0830   86.325   20.025   73.095   19.920 13.23002 28.24595 
1 1 1  -11   14   57 o  225.394   6.6411  139.338   8.0011  151.167   12.436  130.984   10.451  233.163   9.8707  217.624   8.8874 15.53883 13.28217 
1 1 1  -11   14   58 o  108.758   10.791   34.342   6.2738   35.860   9.6733   33.239   8.2426  110.290   16.231  107.226   14.226 3.064064 21.58286 
1 1 1  -11   14   59 o   51.120   14.425   5.4443   6.0409   8.7617   9.0655   2.7946   8.1019   56.465   21.479   45.776   19.261 10.68842 28.85059 
1 1 1  -11   14   60 o  223.897   6.7010  141.088   8.0864  137.811   11.776  144.012   11.123  221.077   9.8578  226.716   9.0795 -5.639023 13.40203 
1 1 1  -11   14   61 f  181.962   7.8226   94.359   7.6435   88.651   11.216   99.308   10.444  176.222   11.779  187.702   10.297 -11.47993 15.64516 
1 1 1  -11   14   62 o  193.029   7.6268  106.014   7.8876  113.897   12.115  100.214   10.392  198.669   11.285  187.389   10.262 11.27980 15.25363 
1 1 1  -11   14   63 o   57.238   16.552   10.076   7.6871   11.257   14.076   9.5738   9.1765   59.530   25.236   54.946   21.423 4.584068 33.10302 
1 1 1  -11   14   64 o   89.381   18.297   33.665   9.4907   29.685   14.474   36.667   12.570   81.310   27.603   97.452   24.024 -16.14233 36.59306 
1 1 1  -11   15    2 o  829.795   10.311  1862.99   46.226  1837.45   64.668  1889.68   66.103  823.986   14.524  835.604   14.640 -11.61774 20.62202 
1 1 1  -11   15    3 o  758.617   9.5288  1556.83   39.057  1538.08   54.755  1576.26   55.729  753.971   13.439  763.263   13.512 -9.292480 19.05757 
1 1 1  -11   15    4 f  600.074   7.8686  973.443   25.504  986.735   36.697  961.025   35.470  604.028   11.243  596.119   11.011 7.909180 15.73718 
1 1 1  -11   15    5 o  910.243   11.196  2242.94   55.069  2240.88   77.929  2245.00   77.829  909.823   15.851  910.663   15.816 -0.8400879 22.39186 
1 1 1  -11   15    6 o  508.980   6.9849  700.382   19.210  690.534   27.005  710.470   27.331  505.358   9.8891  512.602   9.8672 -7.244019 13.96980 
1 1 1  -11   15    7 o  620.267   8.0726  1040.52   27.054  1041.42   38.546  1039.64   37.982  620.528   11.495  620.006   11.337 0.5212402 16.14523 
1 1 1  -11   15    8 o  623.276   8.0921  1050.62   27.252  1054.53   38.784  1046.81   38.302  624.418   11.495  622.135   11.393 2.283142 16.18426 
1 1 1  -11   15   10 o  686.743   8.7439  1275.77   32.445  1280.77   46.210  1270.90   45.566  688.067   12.428  685.420   12.303 2.646912 17.48774 
1 1 1  -11   15   11 o  857.445   10.605  1990.15   49.137  1980.04   69.296  2000.37   69.686  855.256   14.994  859.634   15.002 -4.378601 21.21030 
1 1 1  -11   15   12 o  407.127   6.1483  447.673   13.508  456.444   19.698  439.886   18.559  410.882   8.8719  403.372   8.5144 7.510864 12.29659 
1 1 1  -11   15   13 o  318.457   5.6162  274.262   9.6602  265.699   13.693  282.746   13.630  313.503   8.0831  323.410   7.7993 -9.906921 11.23240 
1 1 1  -11   15   14 o  304.205   5.5812  250.163   9.1663  250.240   13.247  250.092   12.696  304.247   8.0578  304.163   7.7248 0.8355713E-01 11.16246 
1 1 1  -11   15   15 o  254.839   5.5907  175.525   7.6965  169.571   10.805  181.656   10.965  250.452   7.9842  259.226   7.8280 -8.773956 11.18143 
1 1 1  -11   15   16 o  607.260   7.9369  997.186   26.041  979.497   36.475  1015.58   37.190  601.770   11.217  612.751   11.232 -10.98175 15.87378 
1 1 1  -11   15   17 o  728.601   9.2117  1436.48   36.267  1428.53   51.230  1444.47   51.349  726.577   13.048  730.624   13.006 -4.046753 18.42347 
1 1 1  -11   15   18 o  528.800   7.2426  756.080   20.693  740.686   29.025  771.991   29.509  523.326   10.264  534.273   10.221 -10.94690 14.48524 
1 1 1  -11   15   19 f  210.217   8.4990  119.484   9.6544   0.0000   0.0000  119.484   9.6544  ?   ?   210.217   8.4990      ?      ? 
1 1 1  -11   15   20 o  387.790   8.6627  406.637   18.153   0.0000   0.0000  406.637   18.153  ?   ?   387.790   8.6627      ?      ? 
1 1 1  -11   15   21 o  449.734   6.6259  545.820   16.084  518.760   22.138  576.073   23.408  437.955   9.3546  461.513   9.3863 -23.55786 13.25179 
1 1 1  -11   15   22 o  745.239   9.4277  1502.14   37.937  1463.03   52.423  1545.13   54.969  735.084   13.198  755.394   13.467 -20.31000 18.85531 
1 1 1  -11   15   24 o  380.053   6.3643  390.658   13.069  383.818   18.470  397.516   18.494  376.719   9.0733  383.388   8.9269 -6.669830 12.72850 
1 1 1  -11   15   25 o  799.920   10.072  1732.31   43.520  1694.38   60.494  1773.01   62.657  790.862   14.155  808.977   14.333 -18.11487 20.14499 
1 1 1  -11   15   26 o  394.298   6.6771  419.737   14.211  394.525   19.638  447.452   20.589  381.889   9.5164  406.707   9.3686 -24.81812 13.35411 
1 1 1  -11   15   27 o  183.277   10.831   90.903   10.726   0.0000   0.0000   90.903   10.726  ?   ?   183.277   10.831      ?      ? 
1 1 1  -11   15   28 o  644.367   11.943  1124.34   41.585   0.0000   0.0000  1124.34   41.585  ?   ?   644.367   11.943      ?      ? 
1 1 1  -11   15   29 o  259.247   6.6005  182.401   9.2174  172.941   13.347  191.027   12.745  252.783   9.7713  265.712   8.8762 -12.92940 13.20092 
1 1 1  -11   15   30 o  406.402   6.5773  445.845   14.426  419.528   19.863  475.221   20.986  393.739   9.3359  419.065   9.2674 -25.32568 13.15457 
1 1 1  -11   15   31 o  326.085   6.3485  288.118   11.171  279.148   16.068  296.509   15.540  321.150   9.2591  331.020   8.6880 -9.870728 12.69697 
1 1 1  -11   15   32 o  217.148   7.0074  128.405   8.1384  106.676   11.445  150.632   11.575  198.420   10.674  235.875   9.0815 -37.45465 14.01473 
1 1 1  -11   15   33 o  217.014   7.0670  127.747   8.2764  122.706   11.846  132.554   11.568  212.808   10.301  221.219   9.6772 -8.410934 14.13393 
1 1 1  -11   15   34 o  254.092   9.2318  176.363   12.429  169.595   19.393  181.081   16.192  249.798   14.367  258.385   11.597 -8.587021 18.46365 
1 1 1  -11   15   35 o  750.298   13.531  1539.29   54.853  1532.66   78.155  1545.72   77.004  748.621   19.320  751.976   18.951 -3.355042 27.06266 
1 1 1  -11   15   36 o  412.232   7.7823  456.707   16.559  446.230   20.465  476.577   28.182  405.720   9.3346  418.745   12.455 -13.02509 15.56452 
1 1 1  -11   15   37 o  311.465   8.4187  262.904   14.169   0.0000   0.0000  262.904   14.169  ?   ?   311.465   8.4187      ?      ? 
1 1 1  -11   15   38 o  213.817   9.2233  130.551   10.064  148.613   12.904  102.500   16.081  233.948   10.207  193.685   15.365 40.26338 18.44660 
1 1 1  -11   15   39 o  452.919   9.7439  559.329   23.824  577.477   34.628  543.018   32.829  459.831   13.936  446.007   13.622 13.82388 19.48773 
1 1 1  -11   15   40 o  352.029   9.0823  337.394   17.243  323.874   23.503  353.153   25.374  344.475   12.626  359.583   13.059 -15.10770 18.16456 
1 1 1  -11   15   41 o  396.805   7.8911  437.130   15.935  403.378   27.038  455.092   19.725  384.262   13.022  409.347   8.9174 -25.08527 15.78228 
1 1 1  -11   15   42 o  415.912   6.4654  470.566   14.517  464.019   20.906  476.662   20.173  413.052   9.3666  418.772   8.9147 -5.719147 12.93080 
1 1 1  -11   15   43 o  181.031   7.0835   90.126   6.8368   83.714   10.332   95.120   9.1186  175.102   10.920  186.960   9.0259 -11.85794 14.16702 
1 1 1  -11   15   44 o   98.019   12.101   28.551   5.9658   21.040   9.2527   33.894   7.8047   84.934   20.413  111.104   13.000 -26.16917 24.20129 
1 1 1  -11   15   45 o   80.012   12.866   19.721   5.9557   6.8243   9.0759   29.474   7.8928   56.648   21.505  103.376   14.129 -46.72794 25.73174 
1 1 1  -11   15   46 o  288.614   6.1322  226.437   9.5186  233.783   14.260  220.535   12.783  292.718   9.0156  284.511   8.3148 8.206940 12.26443 
1 1 1  -11   15   47 o  350.541   6.1709  335.513   11.644  334.694   17.227  336.202   15.799  349.985   9.1091  351.096   8.3274 -1.110779 12.34185 
1 1 1  -11   15   48 o  252.343   6.2776  175.301   8.4741  163.376   12.649  185.011   11.414  244.262   9.5835  260.425   8.1110 -16.16295 12.55512 
1 1 1  -11   15   49 f   42.170   18.927  -3.1331   8.9602  -3.1331   8.9602   0.0000   0.0000   42.170   18.927  ?   ?       ?      ? 
1 1 1  -11   15   50 o  188.804   7.0850   95.592   7.1330  115.644   11.228   82.022   9.2364  204.938   10.139  172.670   9.8991 32.26787 14.17003 
1 1 1  -11   15   51 o  168.908   9.3720   80.059   8.2990   80.712   10.570   79.009   13.400  170.548   11.470  167.269   14.825 3.279327 18.74397 
1 1 1  -11   15   52 o  181.008   8.9833   93.783   7.9581   86.464   14.422   96.987   9.5424  174.395   15.304  187.621   9.4121 -13.22536 17.96655 
1 1 1  -11   15   53 o  298.724   7.7295  253.039   11.498  234.459   20.282  261.837   13.957  288.743   12.999  308.704   8.3671 -19.96124 15.45903 
1 1 1  -11   15   54 o   47.689   14.074   2.8866   5.9893   2.7481   9.2032   2.9884   7.8883   48.846   20.540   46.531   19.247 2.314892 28.14850 
1 1 1  -11   15   55 o  159.584   8.0494   72.073   6.8534   66.336   10.272   76.675   9.2004  153.260   12.404  165.908   10.262 -12.64841 16.09881 
1 1 1  -11   15   56 o   85.690   13.438   24.157   6.2676   13.583   9.7729   31.545   8.1686   66.525   22.681  104.856   14.417 -38.33126 26.87511 
1 1 1  -11   15   57 o   79.284   14.586   19.890   6.2404   21.834   9.7036   18.519   8.1490   82.065   21.591   76.504   19.618 5.560486 29.17277 
1 1 1  -11   15   58 f   59.756   15.094   10.530   6.1129   12.371   9.3714   9.1660   8.0649   63.128   22.177   56.384   20.483 6.743729 30.18888 
1 1 1  -11   15   59 o  151.110   8.7234   65.116   7.0663   72.349   10.861   59.806   9.3052  157.991   12.721  144.228   11.939 13.76265 17.44670 
1 1 1  -11   15   60 o  155.553   8.8871   70.012   7.4097   65.413   10.938   73.914   10.074  150.085   13.486  161.020   11.578 -10.93475 17.77417 
1 1 1  -11   15   61 o   62.907   14.940   10.891   6.7491   22.764   10.201   1.6490   9.0003   80.797   22.522   45.017   19.637 35.78047 29.88094 
1 1 1  -11   15   62 o   77.172   18.838   25.440   9.5155   25.360   14.790   25.495   12.429   75.524   27.692   78.820   25.545 -3.295769 37.67513 
1 1 1  -11   15   63 o   87.335   18.810   30.744   9.6274   39.482   15.095   24.752   12.500   96.937   27.529   77.733   25.640 19.20379 37.62000 
1 1 1  -11   16    1 o  610.246   8.0155  1006.33   26.415  981.587   36.580  1033.29   38.185  602.421   11.237  618.070   11.433 -15.64893 16.03105 
1 1 1  -11   16    2 o  767.498   9.6525  1592.85   40.010  1559.22   55.473  1629.31   57.761  759.074   13.524  775.923   13.776 -16.84918 19.30506 
1 1 1  -11   16    3 o  598.193   7.8968  966.911   25.511  941.500   35.342  994.555   36.862  590.000   11.085  606.386   11.250 -16.38611 15.79368 
1 1 1  -11   16    4 o  139.545   7.7161   52.933   5.7784   59.825   8.1491   45.962   8.1948  148.738   10.139  130.352   11.634 18.38539 15.43225 
1 1 1  -11   16    5 o  388.741   8.6498  408.563   18.170  408.563   18.170   0.0000   0.0000  388.741   8.6498  ?   ?       ?      ? 
1 1 1  -11   16    7 o  901.318   11.129  2199.21   54.196  2175.62   75.870  2223.80   77.445  896.391   15.663  906.244   15.815 -9.852844 22.25854 
1 1 1  -11   16    9 o  974.888   11.964  2573.93   63.021  2549.28   88.390  2599.42   89.879  970.149   16.861  979.627   16.979 -9.478149 23.92825 
1 1 1  -11   16   10 o  459.216   6.6182  569.986   16.420  557.165   22.970  583.384   23.481  453.937   9.3642  464.495   9.3550 -10.55814 13.23645 
1 1 1  -11   16   11 o  708.202   9.0157  1356.17   34.481  1381.21   49.801  1333.10   47.788  714.467   12.899  701.938   12.599 12.52905 18.03133 
1 1 1  -11   16   12 o  650.326   8.4208  1144.01   29.586  1149.15   42.292  1139.08   41.405  651.750   12.008  648.903   11.808 2.848083 16.84154 
1 1 1  -11   16   13 o  409.645   6.2508  453.491   13.828  459.459   19.975  447.999   19.161  412.228   8.9671  407.062   8.7111 5.165375 12.50167 
1 1 1  -11   16   14 o  795.206   9.9591  1711.66   42.794  1710.31   60.692  1712.99   60.349  794.890   14.130  795.522   14.039 -0.6313477 19.91817 
1 1 1  -11   16   15 o  376.911   6.1090  384.250   12.436  378.673   17.795  389.574   17.387  374.231   8.7995  379.590   8.4765 -5.358887 12.21810 
1 1 1  -11   16   16 o  386.824   8.7542  404.600   18.299   0.0000   0.0000  404.600   18.299  ?   ?   386.824   8.7542      ?      ? 
1 1 1  -11   16   18 o  161.327   7.7666   70.425   6.7699   69.722   9.6071   71.119   9.5415  160.525   11.075  162.129   10.891 -1.604340 15.53319 
1 1 1  -11   16   19 o  319.805   6.1003  276.588   10.540  276.197   15.039  276.965   14.776  319.580   8.7089  320.030   8.5445 -0.4497986 12.20055 
1 1 1  -11   16   20 o  575.057   11.107  894.793   34.516  894.793   34.516   0.0000   0.0000  575.057   11.107  ?   ?       ?      ? 
1 1 1  -11   16   21 o  544.343   7.5562  801.146   22.218  781.292   30.934  822.302   31.933  537.384   10.653  551.302   10.719 -13.91852 15.11234 
1 1 1  -11   16   22 f  992.537   12.236  2669.60   65.593  2610.42   90.998  2733.61   94.634  981.125   17.164  1003.95   17.444 -22.82379 24.47237 
1 1 1  -11   16   23 o  237.424   6.7488  152.509   8.6571  151.185   12.316  153.802   12.171  236.402   9.6414  238.446   9.4461 -2.043427 13.49758 
1 1 1  -11   16   24 o  455.989   6.9346  560.924   17.061  532.237   23.373  593.647   24.963  443.547   9.7517  468.431   9.8619 -24.88300 13.86912 
1 1 1  -11   16   25 o  224.787   7.2251  137.372   8.7328  124.277   12.526  149.757   12.181  214.294   10.817  235.280   9.5812 -20.98579 14.45028 
1 1 1  -11   16   26 o  299.141   6.5915  241.528   10.626  249.641   15.713  234.691   14.425  303.747   9.5734  294.534   9.0631 9.213165 13.18296 
1 1 1  -11   16   27 o  302.943   6.5797  248.387   10.769  242.618   15.240  254.139   15.218  299.424   9.4191  306.462   9.1896 -7.037964 13.15934 
1 1 1  -11   16   28 o  478.465   7.0905  618.900   18.320  591.569   25.432  648.384   26.414  467.494   10.067  489.435   9.9874 -21.94180 14.18098 
1 1 1  -11   16   29 o  407.604   6.6306  449.694   14.600  448.859   20.877  450.494   20.427  407.225   9.4872  407.983   9.2656 -0.7580566 13.26113 
1 1 1  -11   16   30 o   68.689   15.260   11.904   6.4946   18.032   9.7821   7.0727   8.6849   79.979   21.963   57.398   21.192 22.58102 30.52032 
1 1 1  -11   16   31 o  268.299   6.5118  195.090   9.4181  178.325   13.240  212.263   13.400  256.598   9.5486  280.000   8.8564 -23.40204 13.02351 
1 1 1  -11   16   32 o  535.262   10.620  777.699   30.689  735.360   42.489  823.874   44.372  520.034   15.120  550.489   14.917 -30.45551 21.23991 
1 1 1  -11   16   33 o  225.736   10.198  141.692   12.095  122.478   18.662  155.608   15.883  212.042   16.288  239.429   12.276 -27.38631 20.39578 
1 1 1  -11   16   34 o  575.174   11.071  902.067   34.396  877.928   48.799  925.901   48.490  567.440   15.915  582.907   15.395 -15.46741 22.14217 
1 1 1  -11   16   35 f  373.212   6.4396  377.581   12.963  378.187   18.915  377.045   17.802  373.457   9.3729  372.968   8.8329 0.4892273 12.87911 
1 1 1  -11   16   36 o  133.801   13.511   52.512   8.7946   58.719   11.028   41.667   14.577  146.780   13.904  120.823   23.170 25.95686 27.02166 
1 1 1  -11   16   37 o   63.643   17.056   2.0039   9.6631   18.351   13.378 -15.8311   13.973   81.886   26.498   45.400   21.483 36.48642 34.11270 
1 1 1  -11   16   38 o  469.884   9.9705  603.700   25.315  596.622   35.760  610.811   35.841  467.096   14.168  472.671   14.033 -5.575500 19.94104 
1 1 1  -11   16   39 o  241.121   9.2485  158.322   12.028  146.104   16.543  172.027   17.520  231.248   13.239  250.993   12.918 -19.74487 18.49694 
1 1 1  -11   16   40 f   92.710   12.921   23.568   6.3149   35.267   9.6619   14.843   8.3436  113.291   15.783   72.128   20.461 41.16302 25.84105 
1 1 1  -11   16   41 o   62.929   14.672   9.9347   5.8540   14.756   9.0382   6.4507   7.6835   72.043   21.547   53.815   19.920 18.22758 29.34427 
1 1 1  -11   16   42 o  141.710   8.4351   54.764   6.3942   56.347   9.8197   53.599   8.4252  143.363   12.676  140.056   11.132 3.306763 16.87026 
1 1 1  -11   16   43 o  176.208   7.2531   83.656   6.8402   92.578   10.597   77.285   8.9554  184.086   10.654  168.331   9.8454 15.75517 14.50620 
1 1 1  -11   16   44 o   75.812   13.155   17.404   5.9348   6.4274   9.2046   25.214   7.7641   56.171   21.577   95.452   15.053 -39.28066 26.30913 
1 1 1  -11   16   45 o  277.796   6.2125  210.701   9.2539  209.042   13.948  212.005   12.368  276.648   9.3305  278.944   8.2051 -2.296021 12.42505 
1 1 1  -11   16   46 o  134.664   9.3115   51.576   6.5470   43.249   10.132   57.545   8.5782  124.586   15.051  144.743   10.968 -20.15671 18.62297 
1 1 1  -11   16   47 o  364.414   6.2931  363.325   12.355  358.985   18.123  367.094   16.889  362.204   9.2594  366.624   8.5250 -4.420258 12.58620 
1 1 1  -11   16   48 o   89.084   13.037   24.744   6.1095   14.791   9.3383   32.192   8.0782   70.779   22.048  107.390   13.921 -36.61080 26.07459 
1 1 1  -11   16   49 o  234.143   6.4874  147.867   8.1154  167.706   12.693  134.150   10.554  247.064   9.5076  221.221   8.8291 25.84250 12.97488 
1 1 1  -11   16   50 o  274.159   7.6925  208.145   10.951  208.320   13.725  207.838   18.165  275.243   9.2283  273.075   12.310 2.167725 15.38507 
1 1 1  -11   16   51 o  187.706   8.8883   97.692   8.2975  100.788   15.086   96.348   9.9353  188.582   14.804  186.830   9.8412 1.752029 17.77657 
1 1 1  -11   16   52 o  137.070   10.901   53.028   7.2049   55.180   13.771   52.217   8.4544  137.277   18.564  136.864   11.432 0.4128876 21.80168 
1 1 1  -11   16   53 o  126.141   9.7167   44.741   6.5512   48.031   10.165   42.404   8.5682  129.725   14.501  122.558   12.938 7.166855 19.43336 
1 1 1  -11   16   54 o  145.158   8.6074   59.864   6.6169   56.851   10.271   62.002   8.6513  141.342   13.448  148.974   10.747 -7.631821 17.21475 
1 1 1  -11   16   55 o   61.774   15.476   11.015   6.4074   12.596   9.8501   9.8552   8.4363   64.764   22.737   58.784   21.001 5.980755 30.95199 
1 1 1  -11   16   56 o  299.470   8.8043  248.708   14.247   0.0000   0.0000  248.708   14.247  ?   ?   299.470   8.8043      ?      ? 
1 1 1  -11   16   57 o   79.706   14.456   21.365   6.5436   13.347   10.049   27.269   8.6222   65.152   22.958   94.260   17.574 -29.10794 28.91257 
1 1 1  -11   16   58 o   60.595   14.705   11.626   6.3545   4.1130   9.8692   16.947   8.3050   49.782   21.119   71.407   20.468 -21.62444 29.41001 
1 1 1  -11   16   59 o   81.961   15.150   21.945   6.8113   27.292   10.269   17.745   9.1012   90.958   21.273   72.963   21.576 17.99510 30.29954 
1 1 1  -11   16   60 o   59.933   15.644   11.213   6.6642   12.795   10.001   9.9497   8.9379   62.598   22.798   57.268   21.428 5.330315 31.28772 
1 1 1  -11   16   61 o  185.800   11.142  109.815   10.999   98.671   16.392  118.941   14.833  174.201   17.413  197.400   13.906 -23.19853 22.28469 
1 1 1  -11   16   62 o   83.370   19.051   27.514   9.6224   37.297   15.648   21.565   12.202   93.221   28.458   73.520   25.335 19.70116 38.10137 
1 1 1  -11   17    1 o  132.327   8.6319   47.373   6.1559   47.374   9.0404   47.372   8.4057  132.323   12.643  132.332   11.755 -0.9078979E-02 17.26376 
1 1 1  -11   17    3 o  618.338   8.2205  1033.76   27.460  1012.10   38.297  1056.67   39.394  611.680   11.587  624.996   11.664 -13.31610 16.44094 
1 1 1  -11   17    4 o  201.059   6.6865  109.509   7.2164   93.804   10.084  125.994   10.331  186.246   10.020  215.871   8.8568 -29.62517 13.37310 
1 1 1  -11   17    5 o  372.317   8.8324  374.790   17.770  374.790   17.770   0.0000   0.0000  372.317   8.8324  ?   ?       ?      ? 
1 1 1  -11   17    6 o  555.223   7.5684  833.241   22.699  814.581   31.589  853.160   32.639  548.803   10.652  561.643   10.754 -12.84003 15.13682 
1 1 1  -11   17    7 o  620.011   8.1873  1039.89   27.430  1030.16   38.758  1049.66   38.824  617.102   11.623  622.919   11.534 -5.817200 16.37467 
1 1 1  -11   17    8 o  715.014   9.1538  1383.32   35.366  1368.89   49.746  1398.06   50.289  711.245   12.943  718.783   12.947 -7.537537 18.30765 
1 1 1  -11   17    9 o  508.934   7.1808  700.457   19.747  689.493   27.824  711.583   28.030  504.920   10.198  512.949   10.112 -8.028778 14.36170 
1 1 1  -11   17   10 o  367.496   8.6674  365.158   17.212   0.0000   0.0000  365.158   17.212  ?   ?   367.496   8.6674      ?      ? 
1 1 1  -11   17   11 o  570.902   7.7478  881.373   23.892  891.536   34.368  871.867   33.237  574.079   11.079  567.726   10.834 6.352539 15.49564 
1 1 1  -11   17   12 f  640.005   8.3977  1107.93   29.037  1087.05   40.585  1129.82   41.561  633.831   11.850  646.178   11.903 -12.34686 16.79541 
1 1 1  -11   17   13 o  769.286   13.771  1602.31   57.247   0.0000   0.0000  1602.31   57.247  ?   ?   769.286   13.771      ?      ? 
1 1 1  -11   17   14 o  303.962   6.1191  249.949   10.033  248.079   14.596  251.623   13.815  302.876   8.9182  305.048   8.3808 -2.172363 12.23817 
1 1 1  -11   17   15 o  494.408   7.0900  661.276   18.938  659.016   27.009  663.463   26.562  493.571   10.127  495.245   9.9256 -1.674469 14.17996 
1 1 1  -11   17   16 o  1159.31   14.099  3643.84   88.228  3545.77  121.447  3753.45  128.388  1142.90   19.665  1175.73   20.208 -32.83862 28.19713 
1 1 1  -11   17   17 o  687.102   8.9329  1276.21   33.128  1312.81   48.271  1243.62   45.547  696.382   12.828  677.823   12.435 18.55957 17.86577 
1 1 1  -11   17   18 o  208.967   7.4765  118.299   8.4114  131.154   11.980  105.802   11.812  220.191   10.069  197.743   11.055 22.44733 14.95301 
1 1 1  -11   17   19 o  434.791   9.7160  511.367   22.827  511.367   22.827   0.0000   0.0000  434.791   9.7160  ?   ?       ?      ? 
1 1 1  -11   17   20 o  552.805   7.6990  826.546   22.992  808.184   32.063  845.982   32.988  546.491   10.858  559.119   10.918 -12.62842 15.39804 
1 1 1  -11   17   21 o  801.878   10.182  1741.92   44.114  1718.42   61.836  1766.27   62.952  796.377   14.369  807.379   14.429 -11.00232 20.36368 
1 1 1  -11   17   22 f  446.927   7.0057  540.572   16.913  531.180   24.092  549.700   23.750  443.088   10.062  450.765   9.7504 -7.677063 14.01133 
1 1 1  -11   17   23 o  626.322   8.3889  1061.53   28.385  1037.20   39.612  1087.20   40.693  618.952   11.844  633.691   11.884 -14.73914 16.77784 
1 1 1  -11   17   24 o  333.849   6.5567  301.576   11.827  295.809   16.693  307.389   16.760  330.641   9.3430  337.058   9.2017 -6.417572 13.11350 
1 1 1  -11   17   25 o  244.753   7.0939  162.418   9.3651  156.108   13.484  168.299   13.017  240.137   10.391  249.370   9.6600 -9.232986 14.18781 
1 1 1  -11   17   26 o  275.448   6.8199  205.340   10.151  205.279   14.319  205.401   14.392  275.408   9.6213  275.488   9.6682 -0.7940674E-01 13.63980 
1 1 1  -11   17   27 o  246.145   10.287  164.051   13.682  164.051   13.682   0.0000   0.0000  246.145   10.287  ?   ?       ?      ? 
1 1 1  -11   17   28 o  559.280   7.7293  847.046   23.352  823.975   32.539  871.545   33.531  551.435   10.920  567.126   10.942 -15.69122 15.45859 
1 1 1  -11   17   29 o  479.164   7.1214  621.364   18.430  598.044   25.607  646.422   26.545  469.845   10.086  488.483   10.056 -18.63809 14.24288 
1 1 1  -11   17   30 o  410.786   8.5041  446.087   17.134  485.586   32.436  430.800   20.179  422.751   14.199  398.821   9.3633 23.93021 17.00823 
1 1 1  -11   17   31 o  554.270   10.895  835.954   32.616  802.703   45.842  870.045   46.416  543.053   15.622  565.487   15.190 -22.43445 21.78941 
1 1 1  -11   17   32 o  142.566   15.558   63.461   10.500   33.131   16.069   86.059   13.870  107.307   27.566  177.824   14.434 -70.51685 31.11631 
1 1 1  -11   17   33 o  112.107   11.925   34.410   7.2078   33.011   10.407   35.700   9.9926  109.862   17.530  114.352   16.171 -4.490639 23.84995 
1 1 1  -11   17   34 o  402.624   8.2019  439.789   17.058  437.911   21.194  443.243   28.742  401.751   9.7626  403.497   13.182 -1.746552 16.40376 
1 1 1  -11   17   35 o   71.432   18.586   11.570   9.4373   12.464   13.538   10.725   13.163   72.942   26.531   69.922   26.035 3.020828 37.17198 
1 1 1  -11   17   36 o  234.950   9.6830  150.698   12.286  150.113   17.065  151.329   17.703  234.517   13.466  235.384   13.918 -0.8669586 19.36609 
1 1 1  -11   17   37 f  258.661   9.4463  183.199   13.159  188.131   18.038  177.590   19.238  262.526   12.716  254.796   13.973 7.730209 18.89267 
1 1 1  -11   17   38 o  225.295   6.7901  137.502   8.2000  141.491   12.486  134.477   10.873  228.082   10.131  222.507   9.0434 5.575104 13.58018 
1 1 1  -11   17   39 o  134.020   9.6342   50.285   6.8033   42.771   10.334   56.033   9.0383  124.746   15.331  143.294   11.673 -18.54827 19.26848 
1 1 1  -11   17   40 o  230.319   6.6622  145.321   8.2160  136.564   12.255  152.470   11.073  223.841   10.132  236.797   8.6538 -12.95573 13.32436 
1 1 1  -11   17   41 o  208.340   6.8777  118.133   7.7060  120.222   11.516  116.438   10.370  209.923   10.152  206.757   9.2816 3.166077 13.75537 
1 1 1  -11   17   42 o  189.650   7.1953   98.122   7.2604   98.598   11.310   97.788   9.4692  189.871   11.023  189.430   9.2507 0.4414978 14.39059 
1 1 1  -11   17   43 o  134.602   9.1185   50.232   6.5263   47.599   10.015   52.176   8.6042  131.268   14.118  137.937   11.544 -6.669022 18.23693 
1 1 1  -11   17   44 o  135.380   8.7514   49.200   6.3153   61.603   9.8399   40.512   8.2351  149.556   12.176  121.205   12.574 28.35083 17.50285 
1 1 1  -11   17   45 o  241.402   6.3076  158.907   8.1716  161.780   12.345  156.667   10.902  243.194   9.3940  239.609   8.4199 3.584778 12.61512 
1 1 1  -11   17   46 f  170.753   7.5428   79.176   6.8880   86.797   10.698   73.778   9.0025  177.551   11.150  163.955   10.161 13.59645 15.08568 
1 1 1  -11   17   47 o   55.646   13.895   6.5572   5.9879  -2.7845   8.9878   14.013   8.0295   42.541   19.034   68.751   20.248 -26.20978 27.78949 
1 1 1  -11   17   48 o  165.310   7.6999   75.167   6.8443   78.643   10.287   72.406   9.1679  168.588   11.292  162.032   10.471 6.556061 15.39982 
1 1 1  -11   17   49 o  247.590   8.3174  168.790   10.568  165.063   12.991  176.081   18.170  244.663   9.8264  250.518   13.422 -5.854492 16.63470 
1 1 1  -11   17   50 o   63.042   15.250   11.090   6.1989   13.772   9.6071   9.1771   8.1139   68.014   22.480   58.069   20.612 9.945038 30.49922 
1 1 1  -11   17   51 o  107.384   13.618   29.379   7.0946   48.446   14.072   22.881   8.2150  127.502   20.425   87.266   18.018 40.23600 27.23677 
1 1 1  -11   17   52 o   52.967   14.601   6.2979   5.9913   6.9785   9.0454   5.7660   7.9970   54.769   21.293   51.165   19.985 3.604942 29.20283 
1 1 1  -11   17   53 o  171.740   7.8823   82.265   7.2125   84.775   11.237   80.506   9.4055  173.482   11.987  169.999   10.239 3.483002 15.76459 
1 1 1  -11   17   54 o  111.975   11.435   36.199   6.7862   38.210   10.795   34.885   8.7261  113.800   17.554  110.149   14.661 3.650940 22.87089 
1 1 1  -11   17   55 o  117.509   10.966   40.056   6.8936   42.715   10.641   38.134   9.0491  120.334   16.365  114.685   14.602 5.649368 21.93236 
1 1 1  -11   17   56 o  170.721   8.2175   83.137   7.5135   77.263   11.119   88.072   10.193  164.504   12.509  176.939   10.660 -12.43474 16.43494 
1 1 1  -11   17   57 o  120.099   11.320   42.955   6.9515   58.278   10.499   30.996   9.2757  140.981   13.782   99.217   17.962 41.76464 22.64054 
1 1 1  -11   17   58 o   95.249   14.343   29.333   7.1212   29.723   10.682   29.021   9.5541   95.001   21.330   95.498   19.180 -0.4978943 28.68551 
1 1 1  -11   17   59 f  132.737   10.402   51.592   7.3843   57.309   11.475   47.552   9.6468  138.402   15.344  127.071   14.049 11.33107 20.80425 
1 1 1  -11   17   60 o   73.566   18.515   23.536   9.3799   20.813   15.710   25.045   11.693   68.445   27.592   78.688   24.697 -10.24285 37.03063 
1 1 1  -11   17   61 o  121.542   16.456   53.752   10.188   49.302   16.311   56.599   13.046  110.940   27.376  132.145   18.271 -21.20444 32.91266 
1 1 1  -11   18    1 o  616.350   8.2168  1026.82   27.350  997.976   37.888  1058.22   39.522  607.325   11.545  625.375   11.695 -18.04993 16.43360 
1 1 1  -11   18    2 o  343.747   6.2856  319.416   11.666  322.108   16.870  316.950   16.150  345.129   9.0460  342.365   8.7296 2.764130 12.57125 
1 1 1  -11   18    3 o  343.864   8.9368  319.746   16.606   0.0000   0.0000  319.746   16.606  ?   ?   343.864   8.9368      ?      ? 
1 1 1  -11   18    4 o  400.008   6.5291  432.658   14.110  435.163   20.192  430.267   19.725  401.136   9.3152  398.880   9.1512 2.256531 13.05823 
1 1 1  -11   18    5 f  473.207   6.9822  604.637   17.838  581.052   24.602  630.776   25.900  463.497   9.8229  482.917   9.9254 -19.41965 13.96433 
1 1 1  -11   18    6 o  342.380   6.2741  317.025   11.606  315.276   16.519  318.730   16.311  341.445   8.9529  343.315   8.7922 -1.870636 12.54821 
1 1 1  -11   18    7 o  139.976   9.3419   53.232   7.0111   61.473   9.9902   45.234   9.8419  150.708   12.267  129.243   14.092 21.46577 18.68370 
1 1 1  -11   18    8 o  911.043   11.304  2248.84   55.641  2221.69   77.974  2277.01   79.422  905.450   15.937  916.636   16.035 -11.18652 22.60720 
1 1 1  -11   18   10 f  554.714   10.868  832.567   32.577   0.0000   0.0000  832.567   32.577  ?   ?   554.714   10.868      ?      ? 
1 1 1  -11   18   11 o  265.149   6.5110  190.107   9.3242  191.357   13.416  188.939   12.968  265.988   9.3342  264.310   9.0798 1.677765 13.02192 
1 1 1  -11   18   12 o  156.302   8.5941   66.112   7.2381   65.973   9.8671   66.274   10.650  156.134   11.695  156.470   12.596 -0.3357697 17.18830 
1 1 1  -11   18   13 o  945.980   11.724  2424.89   59.916  2388.10   83.679  2463.59   85.829  938.635   16.498  953.326   16.661 -14.69104 23.44739 
1 1 1  -11   18   14 o  579.393   11.240  908.364   35.191   0.0000   0.0000  908.364   35.191  ?   ?   579.393   11.240      ?      ? 
1 1 1  -11   18   15 o  678.007   8.9087  1243.96   32.632  1217.21   45.609  1272.01   46.709  670.544   12.587  685.470   12.610 -14.92639 17.81747 
1 1 1  -11   18   16 o  770.576   9.8459  1607.74   40.988  1576.66   57.236  1640.46   58.725  762.939   13.883  778.212   13.965 -15.27344 19.69170 
1 1 1  -11   18   17 o  337.188   6.7013  307.661   12.206  300.688   17.337  314.517   17.188  333.391   9.6232  340.984   9.3285 -7.593414 13.40253 
1 1 1  -11   18   18 o  1164.47   14.202  3681.17   89.315  3605.38  123.802  3763.44  128.978  1152.05   19.887  1176.90   20.281 -24.85522 28.40443 
1 1 1  -11   18   19 o  421.540   6.8858  480.698   15.680  482.089   22.468  479.378   21.894  422.129   9.8497  420.953   9.6249 1.176025 13.77151 
1 1 1  -11   18   20 o  333.944   6.7662  301.697   12.207  292.506   17.187  311.051   17.340  328.808   9.6731  339.081   9.4636 -10.27328 13.53250 
1 1 1  -11   18   21 o  584.158   8.0648  921.882   25.426  881.365   34.925  967.574   37.089  570.541   11.328  597.776   11.482 -27.23505 16.12966 
1 1 1  -11   18   22 o  504.397   10.393  688.727   28.327   0.0000   0.0000  688.727   28.327  ?   ?   504.397   10.393      ?      ? 
1 1 1  -11   18   23 o  505.068   7.3699  690.678   20.111  682.307   28.579  698.888   28.304  502.026   10.535  508.111   10.309 -6.084717 14.73972 
1 1 1  -11   18   24 o  191.666   8.4098  101.090   8.5726   84.884   12.539  115.315   11.747  176.958   13.113  206.374   10.534 -29.41534 16.81964 
1 1 1  -11   18   25 o  649.414   8.6449  1142.58   30.327  1113.36   42.271  1173.56   43.536  640.868   12.206  657.959   12.245 -17.09100 17.28972 
1 1 1  -11   18   26 o  579.396   8.0285  909.899   25.135  897.529   35.378  922.507   35.716  575.416   11.378  583.376   11.330 -7.960205 16.05702 
1 1 1  -11   18   27 f  445.534   9.7255  537.672   23.414   0.0000   0.0000  537.672   23.414  ?   ?   445.534   9.7255      ?      ? 
1 1 1  -11   18   28 o  533.024   9.5587  755.111   25.097  811.712   47.024  732.567   29.677  546.159   15.934  519.889   10.564 26.26990 19.11737 
1 1 1  -11   18   29 o  598.060   11.555  971.767   37.293  919.820   51.214  1030.41   54.412  581.099   16.310  615.020   16.373 -33.92096 23.10997 
1 1 1  -11   18   30 o   72.827   19.073   11.347   10.301   1.9412   16.862   16.946   13.010   65.943   27.769   79.710   26.152 -13.76662 38.14513 
1 1 1  -11   18   31 o  346.563   7.8771  325.726   14.156  324.746   17.677  327.477   23.636  346.076   9.4524  347.050   12.603 -0.9740601 15.75420 
1 1 1  -11   18   32 o  562.041   11.076  862.542   33.636  868.018   47.880  857.207   47.263  563.782   15.716  560.300   15.610 3.481750 22.15149 
1 1 1  -11   18   33 o  382.649   9.2964  398.605   19.216  385.360   26.803  412.613   27.563  376.104   13.188  389.195   13.106 -13.09155 18.59287 
1 1 1  -11   18   34 o  187.775   11.138   96.559   11.266  106.937   16.135   86.689   15.736  197.721   15.102  177.829   16.376 19.89171 22.27644 
1 1 1  -11   18   35 o  301.474   8.9845  247.681   14.613  241.892   20.024  254.279   21.376  297.772   12.444  305.177   12.962 -7.404663 17.96893 
1 1 1  -11   18   36 o  193.365   7.6441  101.606   7.9480  103.488   11.889  100.085   10.687  194.916   11.288  191.814   10.311 3.102386 15.28823 
1 1 1  -11   18   37 o  155.481   8.4435   64.794   7.0147   73.876   10.967   58.505   9.1255  164.486   12.339  146.475   11.529 18.01109 16.88694 
1 1 1  -11   18   38 o   85.747   14.067   21.332   6.3644   20.612   9.5614   21.904   8.5282   84.240   21.061   87.254   18.653 -3.013985 28.13355 
1 1 1  -11   18   39 o  143.993   8.8660   58.424   6.6988   46.896   10.045   67.659   8.9900  130.542   14.240  157.445   10.567 -26.90350 17.73198 
1 1 1  -11   18   40 o  110.055   10.872   32.432   6.3595   39.923   10.160   27.607   8.1545  120.131   15.651   99.979   15.094 20.15224 21.74371 
1 1 1  -11   18   41 o   92.308   13.128   24.103   6.2773   29.367   9.6786   20.282   8.2472  101.051   18.403   83.565   18.728 17.48641 26.25616 
1 1 1  -11   18   42 o  107.209   11.152   31.398   6.3938   38.351   9.7746   26.198   8.4531  117.465   15.399   96.953   16.135 20.51291 22.30419 
1 1 1  -11   18   43 o   85.459   12.717   22.676   6.2310   6.3220   9.1381   36.888   8.5185   55.524   21.453  115.394   13.661 -59.86964 25.43365 
1 1 1  -11   18   44 o  247.925   9.6311  168.304   12.903  168.304   12.903   0.0000   0.0000  247.925   9.6311  ?   ?       ?      ? 
1 1 1  -11   18   45 o  131.255   9.7586   48.932   6.7449   42.529   10.331   53.690   8.9047  123.100   15.531  139.411   11.821 -16.31026 19.51722 
1 1 1  -11   18   46 o  143.043   8.8703   56.839   6.7406   57.055   10.540   56.690   8.7679  142.905   13.649  143.181   11.332 -0.2762451 17.74056 
1 1 1  -11   18   47 f   50.342   14.467   3.9578   6.1303   3.6679   9.2855   4.1817   8.1618   51.066   20.977   49.618   19.928 1.448509 28.93411 
1 1 1  -11   18   48 o   56.156   14.809   5.0637   7.3800   14.962   9.1964 -12.8401   12.369   70.322   21.875   41.990   19.969 28.33191 29.61868 
1 1 1  -11   18   49 o  103.394   17.121   30.811   9.5654   0.0000   0.0000   30.811   9.5654  ?   ?   103.394   17.121      ?      ? 
1 1 1  -11   18   50 o   85.473   15.290   20.695   6.7992   31.149   11.991   15.741   8.2545   99.430   22.803   71.516   20.374 27.91409 30.57925 
1 1 1  -11   18   51 o   66.210   14.046   10.386   6.1699   24.438   9.8106   1.1923   7.9358   88.427   20.868   43.993   18.808 44.43401 28.09276 
1 1 1  -11   18   52 o  258.728   6.5785  185.194   9.1480  188.757   13.715  182.339   12.278  260.654   9.7374  256.801   8.8482 3.852509 13.15698 
1 1 1  -11   18   53 f  161.269   8.4922   71.636   7.2967   83.771   11.563   63.605   9.4060  172.115   12.432  150.423   11.572 21.69168 16.98449 
1 1 1  -11   18   54 o  237.517   6.8531  156.604   8.7141  163.103   13.366  151.798   11.492  241.339   10.249  233.696   9.1007 7.643173 13.70627 
1 1 1  -11   18   55 o  149.708   9.0630   63.761   7.2756   67.978   11.119   60.602   9.6215  153.611   13.395  145.805   12.212 7.806061 18.12609 
1 1 1  -11   18   56 f   80.899   15.313   22.568   6.9065   18.805   10.497   25.440   9.1710   73.428   23.443   88.370   19.707 -14.94118 30.62572 
1 1 1  -11   18   57 o   36.845   12.376  -8.6637   6.6990 -12.0066   10.189  -6.1179   8.8911   36.230   17.464   37.460   17.540 -1.229816 24.75174 
1 1 1  -11   18   58 o   65.722   17.224   10.373   7.8565   26.824   14.573   3.6328   9.3282   83.282   27.695   48.161   20.485 35.12067 34.44794 
1 1 1  -11   18   59 f   46.374   15.247  -1.1632   9.0804  -6.0495   15.549   1.3655   11.186   46.506   22.192   46.241   20.914 0.2658653 30.49405 
1 1 1  -11   18   60 o   54.635   16.874   6.7933   9.4847   1.7374   15.725   9.6847   11.891   52.586   24.168   56.684   23.554 -4.098156 33.74756 
1 1 1  -11   19    1 o  810.324   10.282  1778.56   45.020  1775.39   63.752  1781.71   63.584  809.599   14.573  811.049   14.508 -1.450134 20.56329 
1 1 1  -11   19    2 f  316.841   6.5801  271.525   11.263  270.778   16.084  272.245   15.778  316.409   9.4072  317.272   9.2029 -0.8630066 13.16012 
1 1 1  -11   19    4 o  364.022   6.7055  358.208   13.180  363.228   19.073  353.620   18.234  366.456   9.6318  361.589   9.3319 4.866760 13.41104 
1 1 1  -11   19    7 o  592.749   11.408  950.768   36.540   0.0000   0.0000  950.768   36.540  ?   ?   592.749   11.408      ?      ? 
1 1 1  -11   19    8 o  230.798   7.1679  144.396   8.9206  135.624   12.741  152.832   12.494  223.896   10.531  237.701   9.7274 -13.80406 14.33586 
1 1 1  -11   19    9 f  481.077   7.1923  625.965   18.695  614.704   26.225  637.601   26.658  476.678   10.181  485.476   10.162 -8.797791 14.38468 
1 1 1  -11   19   10 f  587.351   8.0983  931.978   25.677  896.395   35.362  971.663   37.345  575.521   11.371  599.182   11.534 -23.66101 16.19664 
1 1 1  -11   19   11 o  468.915   7.1521  594.917   18.121  590.448   25.686  599.346   25.569  467.158   10.175  470.672   10.053 -3.514343 14.30415 
1 1 1  -11   19   12 o  339.490   6.6992  312.147   12.275  299.443   17.534  324.359   17.190  332.695   9.7531  346.285   9.1866 -13.59021 13.39839 
1 1 1  -11   19   13 o  115.733   13.168   37.302   7.8494   47.795   11.289   27.481   10.922  132.776   15.734   98.690   21.118 34.08630 26.33513 
1 1 1  -11   19   15 o  795.186   14.287  1713.23   61.392   0.0000   0.0000  1713.23   61.392  ?   ?   795.186   14.287      ?      ? 
1 1 1  -11   19   16 o  406.916   9.7626  447.984   21.466   0.0000   0.0000  447.984   21.466  ?   ?   406.916   9.7626      ?      ? 
1 1 1  -11   19   17 o  487.662   7.3063  643.681   19.252  637.782   27.329  649.491   27.124  485.438   10.418  489.887   10.246 -4.449707 14.61266 
1 1 1  -11   19   18 o  632.607   8.5670  1084.03   29.284  1073.04   41.380  1095.05   41.449  629.388   12.167  635.825   12.064 -6.436646 17.13403 
1 1 1  -11   19   19 o  645.420   12.158  1128.52   42.401   0.0000   0.0000  1128.52   42.401  ?   ?   645.420   12.158      ?      ? 
1 1 1  -11   19   20 o  222.212   7.8001  133.533   9.3561  137.266   13.613  130.192   12.881  225.144   11.189  219.280   10.870 5.864166 15.60025 
1 1 1  -11   19   21 o  327.209   6.6961  290.015   11.829  279.813   16.863  299.900   16.599  321.525   9.7059  332.894   9.2274 -11.36914 13.39216 
1 1 1  -11   19   22 o  693.549   9.1008  1303.45   34.095  1270.23   47.470  1338.85   49.002  684.432   12.835  702.665   12.906 -18.23236 18.20159 
1 1 1  -11   19   23 o  651.053   8.6996  1149.35   30.603  1129.60   42.982  1169.65   43.583  645.378   12.325  656.728   12.281 -11.34979 17.39920 
1 1 1  -11   19   24 o  216.245   7.6837  126.716   8.9702  127.180   12.979  126.292   12.412  216.610   11.088  215.880   10.640 0.7299500 15.36747 
1 1 1  -11   19   25 o  184.959   8.3503   93.268   8.3019   85.083   11.986  100.814   11.510  177.075   12.527  192.844   11.045 -15.76895 16.70068 
1 1 1  -11   19   26 o   91.866   19.009   18.679   8.9322   36.329   18.744   13.493   10.160  112.527   30.196   71.204   23.098 41.32303 38.01749 
1 1 1  -11   19   27 f  320.836   9.5384  281.748   16.413  248.874   23.630  312.387   22.813  302.486   14.457  339.186   12.447 -36.70004 19.07681 
1 1 1  -11   19   28 o  148.327   15.201   56.952   11.307   90.968   18.698   37.342   14.196  182.292   18.982  114.363   23.749 67.92951 30.40298 
1 1 1  -11   19   29 o  451.504   10.286  553.161   25.096  553.161   25.096   0.0000   0.0000  451.504   10.286  ?   ?       ?      ? 
1 1 1  -11   19   30 o  171.970   11.415   80.846   10.585   81.194   14.518   80.450   15.465  172.433   15.581  171.508   16.687 0.9244690 22.83036 
1 1 1  -11   19   31 o  467.761   9.9866  596.820   25.239  595.270   35.393  598.423   36.002  467.176   14.020  468.347   14.225 -1.170898 19.97321 
1 1 1  -11   19   32 o  227.531   9.8811  139.845   12.083  125.180   16.142  158.536   18.224  214.113   13.951  240.949   13.997 -26.83560 19.76221 
1 1 1  -11   19   33 o  314.937   7.7393  272.388   12.464  262.387   21.200  277.671   15.409  310.087   12.652  319.787   8.9172 -9.699951 15.47863 
1 1 1  -11   19   34 o  142.334   9.8919   57.020   7.3808   43.927   10.875   68.202   10.050  126.487   15.911  158.181   11.758 -31.69427 19.78378 
1 1 1  -11   19   35 o  395.999   9.0540  426.059   19.374   0.0000   0.0000  426.059   19.374  ?   ?   395.999   9.0540      ?      ? 
1 1 1  -11   19   36 f   52.742   14.903   3.9541   6.5203   0.7865   9.6660   6.5990   8.8325   49.319   20.910   56.165   21.241 -6.845978 29.80634 
1 1 1  -11   19   37 o  252.848   6.5772  174.152   8.9504  173.087   13.242  175.047   12.145  252.047   9.7223  253.650   8.8608 -1.602951 13.15435 
1 1 1  -11   19   38 o  287.181   6.4323  224.130   9.9411  229.583   14.816  219.664   13.407  290.264   9.4461  284.099   8.7332 6.165009 12.86459 
1 1 1  -11   19   39 o  335.054   6.4463  306.391   11.651  293.481   16.732  318.541   16.233  328.091   9.4380  342.018   8.7832 -13.92715 12.89261 
1 1 1  -11   19   40 o  226.596   6.7784  139.729   8.2460  144.012   12.467  136.398   10.995  229.557   10.050  223.635   9.0981 5.921555 13.55681 
1 1 1  -11   19   41 o  422.256   6.7639  487.902   15.417  477.120   22.164  498.010   21.459  417.597   9.8220  426.916   9.3021 -9.318878 13.52784 
1 1 1  -11   19   42 o  102.374   12.667   31.588   6.5427   22.569   9.9650   38.421   8.6742   87.024   21.351  117.724   13.636 -30.70004 25.33413 
1 1 1  -11   19   43 o  160.295   8.2395   70.400   7.1127   76.565   10.602   65.354   9.5913  166.602   11.777  153.989   11.527 12.61324 16.47904 
1 1 1  -11   19   44 o  209.640   7.0613  121.552   7.9289  113.763   11.785  127.994   10.717  203.189   10.733  216.090   9.1783 -12.90079 14.12255 
1 1 1  -11   19   45 o   56.968   14.307   7.1347   6.2489  -1.7711   9.3170   14.416   8.4247   44.382   19.646   69.554   20.803 -25.17221 28.61338 
1 1 1  -11   19   46 o   78.773   14.585   18.993   6.2515   17.673   9.6595   19.944   8.2005   76.049   22.154   81.498   18.976 -5.448250 29.16974 
1 1 1  -11   19   47 o  129.546   12.237   45.331   8.2902   35.854   10.299   62.770   13.971  111.632   17.074  147.460   17.534 -35.82818 24.47347 
1 1 1  -11   19   48 o   76.859   17.073   18.471   7.8043   19.028   9.9059   17.561   12.672   78.177   22.336   75.542   25.826 2.634857 34.14530 
1 1 1  -11   19   49 o   65.759   15.365   13.498   6.8311   3.1914   12.477   17.911   8.1633   55.261   23.603   76.257   19.679 -20.99569 30.73014 
1 1 1  -11   19   50 o  125.997   10.504   47.087   6.8635   37.520   10.513   54.195   9.0611  113.205   17.185  138.790   12.082 -25.58481 21.00747 
1 1 1  -11   19   51 o  115.150   11.717   39.907   6.8792   34.708   10.619   43.667   9.0305  106.500   19.156  123.800   13.499 -17.30045 23.43446 
1 1 1  -11   19   52 o  118.252   10.872   38.865   6.7945   52.024   10.892   30.481   8.6935  134.141   15.026  102.363   15.717 31.77745 21.74409 
1 1 1  -11   19   53 o   61.597   15.522   11.440   6.4675   11.517   9.9538   11.384   8.5082   62.105   22.726   61.088   21.150 1.017509 31.04445 
1 1 1  -11   19   54 o   62.316   14.824   11.803   6.6414   2.4845   10.204   18.652   8.7481   49.043   21.152   75.590   20.775 -26.54671 29.64836 
1 1 1  -11   19   55 o   69.949   14.658   16.654   6.6933   6.4613   10.225   24.297   8.8539   53.326   21.972   86.573   19.406 -33.24643 29.31503 
1 1 1  -11   19   56 o  191.015   8.0386  103.968   8.1843  102.512   12.581  105.037   10.776  189.020   12.317  193.009   10.332 -3.989319 16.07710 
1 1 1  -11   19   57 o   56.166   16.580   6.7880   9.0711  -5.0203   14.870   13.786   11.448   48.491   22.698   63.841   24.173 -15.35041 33.15923 
1 1 1  -11   19   58 o   59.120   17.526   7.7439   9.3647   24.572   15.909  -1.1784   11.584   73.440   28.326   44.800   20.647 28.64019 35.05177 
1 1 1  -11   19   59 o   96.562   14.347   31.675   7.1352   35.259   11.314   29.309   9.1940   99.683   21.626   93.442   18.859 6.240944 28.69394 
1 1 1  -11   20    1 f  292.541   9.8967  231.536   15.645   0.0000   0.0000  231.536   15.645  ?   ?   292.541   9.8967      ?      ? 
1 1 1  -11   20    2 o  564.557   11.162  862.617   34.052   0.0000   0.0000  862.617   34.052  ?   ?   564.557   11.162      ?      ? 
1 1 1  -11   20    3 o  156.626   10.422   66.474   8.7995   60.527   12.299   72.709   12.595  149.435   15.232  163.818   14.228 -14.38315 20.84299 
1 1 1  -11   20    6 o  555.174   11.282  834.204   33.845   0.0000   0.0000  834.204   33.845  ?   ?   555.174   11.282      ?      ? 
1 1 1  -11   20    7 o  252.477   7.2547  172.515   9.8900  164.007   13.933  181.155   14.040  246.193   10.473  258.760   10.041 -12.56691 14.50940 
1 1 1  -11   20    8 o  229.143   7.5963  141.657   9.3827  156.473   13.652  128.395   12.916  240.470   10.506  217.815   10.974 22.65567 15.19261 
1 1 1  -11   20    9 o  488.751   10.728  646.438   28.333  646.438   28.333   0.0000   0.0000  488.751   10.728  ?   ?       ?      ? 
1 1 1  -11   20   10 o  480.258   10.431  624.135   27.069   0.0000   0.0000  624.135   27.069  ?   ?   480.258   10.431      ?      ? 
1 1 1  -11   20   11 o  585.686   11.438  928.609   36.200   0.0000   0.0000  928.609   36.200  ?   ?   585.686   11.438      ?      ? 
1 1 1  -11   20   12 o  379.562   6.9058  389.715   14.160  377.377   19.847  402.507   20.209  373.441   9.8353  385.683   9.6967 -12.24185 13.81159 
1 1 1  -11   20   13 f  297.319   9.7418  239.227   15.651   0.0000   0.0000  239.227   15.651  ?   ?   297.319   9.7418      ?      ? 
1 1 1  -11   20   14 o  209.692   11.624  119.089   13.171   0.0000   0.0000  119.089   13.171  ?   ?   209.692   11.624      ?      ? 
1 1 1  -11   20   15 o  737.004   13.533  1472.45   53.894   0.0000   0.0000  1472.45   53.894  ?   ?   737.004   13.533      ?      ? 
1 1 1  -11   20   16 o  860.770   15.347  2010.39   71.386   0.0000   0.0000  2010.39   71.386  ?   ?   860.770   15.347      ?      ? 
1 1 1  -11   20   17 o  340.483   9.5168  313.753   17.510   0.0000   0.0000  313.753   17.510  ?   ?   340.483   9.5168      ?      ? 
1 1 1  -11   20   18 o   63.156   16.502   7.4124   7.7996   13.686   11.087   1.2664   10.974   72.657   24.156   53.654   22.488 19.00352 33.00384 
1 1 1  -11   20   19 o  218.534   7.7724  129.549   9.1598  119.856   12.935  139.299   12.973  210.302   11.382  226.766   10.587 -16.46312 15.54490 
1 1 1  -11   20   20 o  603.686   11.559  988.002   37.706   0.0000   0.0000  988.002   37.706  ?   ?   603.686   11.559      ?      ? 
1 1 1  -11   20   21 o  628.879   8.5222  1070.19   28.925  1021.96   39.729  1124.59   42.194  613.851   11.977  643.906   12.127 -30.05524 17.04432 
1 1 1  -11   20   22 o   78.508   16.526   16.981   7.5594   14.529   10.416   19.710   10.988   73.418   23.342   83.599   23.400 -10.18028 33.05174 
1 1 1  -11   20   23 o  252.979   7.2868  173.981   9.9301  161.919   14.250  185.366   13.845  244.392   10.791  261.566   9.7954 -17.17438 14.57363 
1 1 1  -11   20   24 o  690.284   13.015  1296.26   48.448  1225.22   65.996  1379.28   71.348  669.920   18.231  710.648   18.580 -40.72784 26.03013 
1 1 1  -11   20   25 o  261.353   16.438  186.306   23.215  186.306   23.215   0.0000   0.0000  261.353   16.438  ?   ?       ?      ? 
1 1 1  -11   20   27 o   84.979   18.178   17.899   9.6767   7.3491   12.811   31.914   14.766   64.807   25.300  105.152   26.107 -40.34518 36.35523 
1 1 1  -11   20   28 o  195.194   10.917  102.553   11.413   93.131   14.976  115.608   17.628  184.712   15.004  205.676   15.861 -20.96410 21.83337 
1 1 1  -11   20   29 o  252.191   9.4469  173.695   12.847  180.315   17.834  166.554   18.522  257.282   12.828  247.099   13.872 10.18301 18.89387 
1 1 1  -11   20   30 o  214.299   8.9152  122.421   9.9102  134.977   16.870  115.804   12.246  222.273   14.046  206.326   10.984 15.94766 17.83035 
1 1 1  -11   20   31 o  256.377   6.9727  178.610   9.6344  179.676   14.166  177.693   13.142  257.034   10.199  255.721   9.5107 1.313004 13.94540 
1 1 1  -11   20   32 o  278.183   6.8360  210.482   10.266  206.394   14.757  214.316   14.291  275.521   9.9117  280.844   9.4170 -5.323029 13.67198 
1 1 1  -11   20   33 o  301.485   6.6943  247.647   10.881  233.855   15.609  260.685   15.176  293.225   9.8510  309.746   9.0670 -16.52103 13.38858 
1 1 1  -11   20   34 o  181.096   8.1145   90.147   7.8777   78.645   11.285  101.081   11.002  169.609   12.312  192.582   10.573 -22.97333 16.22892 
1 1 1  -11   20   35 o  246.738   6.8412  165.789   9.1008  166.741   13.341  164.961   12.446  247.334   9.9820  246.141   9.3578 1.193161 13.68240 
1 1 1  -11   20   36 o  178.494   7.9723   85.931   7.6365   99.714   11.597   75.379   10.147  190.965   11.238  166.023   11.311 24.94208 15.94453 
1 1 1  -11   20   37 o  370.635   6.5704  374.745   13.146  361.082   18.760  387.929   18.428  363.904   9.5401  377.366   9.0370 -13.46222 13.14080 
1 1 1  -11   20   38 o  311.098   6.5159  264.612   10.921  243.087   15.535  285.640   15.355  298.424   9.6336  323.771   8.7763 -25.34711 13.03185 
1 1 1  -11   20   39 o   88.122   14.109   22.965   6.5143   21.721   9.9686   23.891   8.6061   85.558   21.568   90.686   18.195 -5.128090 28.21765 
1 1 1  -11   20   40 o  269.173   6.5697  197.764   9.5033  201.125   14.255  195.075   12.750  271.075   9.7318  267.271   8.8281 3.803223 13.13933 
1 1 1  -11   20   41 o  346.547   6.5402  328.467   12.215  329.677   17.949  327.422   16.672  346.989   9.5725  346.105   8.9143 0.8836060 13.08044 
1 1 1  -11   20   42 o   72.866   15.234   15.500   6.4503   19.082   9.5955   12.547   8.7124   79.653   21.703   66.079   21.384 13.57362 30.46800 
1 1 1  -11   20   43 o  244.795   6.7911  165.146   8.9253  159.715   13.269  169.633   12.062  240.850   10.195  248.740   8.9737 -7.890121 13.58216 
1 1 1  -11   20   44 o   98.056   12.868   27.722   6.6548   32.073   9.9967   24.260   8.9180  105.868   17.474   90.245   18.894 15.62372 25.73564 
1 1 1  -11   20   45 o  209.180   9.3805  120.485   10.603   0.0000   0.0000  120.485   10.603  ?   ?   209.180   9.3805      ?      ? 
1 1 1  -11   20   46 o  199.662   9.4640  115.615   9.6726  125.586   12.249   99.099   15.765  212.890   10.648  186.434   15.649 26.45619 18.92799 
1 1 1  -11   20   47 o  162.638   10.922   77.877   9.1077   84.352   11.559   67.275   14.791  173.463   12.332  151.814   18.030 21.64871 21.84403 
1 1 1  -11   20   48 o  136.125   11.265   53.602   7.6344   53.063   13.647   53.847   9.2105  133.875   18.864  138.376   12.318 -4.500275 22.52981 
1 1 1  -11   20   49 o  150.141   9.1147   63.916   7.2412   63.633   11.422   64.106   9.3632  149.134   14.174  151.149   11.464 -2.014679 18.22936 
1 1 1  -11   20   50 f  156.257   11.237   68.442   9.4877   0.0000   0.0000   68.442   9.4877  ?   ?   156.257   11.237      ?      ? 
1 1 1  -11   20   51 o   63.801   15.665   11.849   6.5394   16.144   10.364   9.0073   8.4292   70.793   23.347   56.808   20.894 13.98532 31.33072 
1 1 1  -11   20   52 o   84.294   13.397   23.767   6.9390   5.8183   10.355   38.396   9.3486   53.880   22.145  114.709   15.082 -60.82923 26.79323 
1 1 1  -11   20   53 o  125.579   10.412   46.675   6.9583   45.044   10.658   47.886   9.1861  122.650   16.082  128.507   13.229 -5.856300 20.82335 
1 1 1  -11   20   54 o  224.913   7.3084  143.113   8.8013  141.941   13.327  144.020   11.721  223.396   11.040  226.430   9.5796 -3.034622 14.61671 
1 1 1  -11   20   55 o   58.325   17.009   1.4433   8.2843   21.914   15.862  -6.2344   9.7143   77.346   28.624   39.304   18.381 38.04214 34.01771 
1 1 1  -11   20   56 o  179.089   11.651   99.821   10.908  100.518   17.675   99.392   13.863  176.401   18.543  181.777   14.113 -5.375977 23.30274 
1 1 1  -11   20   57 o  154.623   14.313   82.556   10.541   71.171   17.918   88.581   13.035  138.184   24.912  171.062   14.101 -32.87845 28.62641 
1 1 1  -11   20   58 o   90.077   14.604   29.518   7.1926   22.162   10.768   35.443   9.6647   75.261   23.713  104.894   17.051 -29.63300 29.20720 
1 1 1  -11   21    1 o  373.846   6.9316  378.068   13.997  383.767   20.148  372.752   19.458  376.561   9.9018  371.131   9.7027 5.430573 13.86321 
1 1 1  -11   21    2 o  756.289   13.877  1550.54   56.710   0.0000   0.0000  1550.54   56.710  ?   ?   756.289   13.877      ?      ? 
1 1 1  -11   21    3 o  134.609   11.043   49.293   8.0101   46.868   11.582   51.515   11.090  131.402   16.312  137.816   14.891 -6.413254 22.08678 
1 1 1  -11   21    6 o  364.675   6.9431  359.927   13.681  355.362   19.305  364.533   19.392  362.349   9.8595  367.000   9.7785 -4.651031 13.88627 
1 1 1  -11   21    7 o  554.670   7.9220  832.573   23.736  806.240   33.095  860.468   34.062  545.642   11.224  563.698   11.183 -18.05603 15.84409 
1 1 1  -11   21   10 o  272.187   10.098  200.537   14.852   0.0000   0.0000  200.537   14.852  ?   ?   272.187   10.098      ?      ? 
1 1 1  -11   21   11 o  683.900   12.822  1267.54   47.385   0.0000   0.0000  1267.54   47.385  ?   ?   683.900   12.822      ?      ? 
1 1 1  -11   21   12 o  271.708   7.2286  199.281   10.589  181.548   14.583  219.061   15.402  258.948   10.422  284.468   10.019 -25.52005 14.45718 
1 1 1  -11   21   13 o  329.072   6.8727  292.668   12.208  303.156   17.773  283.300   16.798  334.637   9.8288  323.506   9.6090 11.13043 13.74550 
1 1 1  -11   21   14 o  235.406   7.6506  150.031   9.7291  146.098   13.566  154.196   13.961  232.232   10.810  238.580   10.829 -6.348114 15.30129 
1 1 1  -11   21   15 o  498.483   7.5314  672.531   20.276  645.294   28.182  701.758   29.193  488.026   10.687  508.939   10.615 -20.91333 15.06277 
1 1 1  -11   21   16 o  208.276   8.0349  117.533   9.0396  119.727   12.999  115.479   12.579  210.152   11.447  206.401   11.278 3.751389 16.06977 
1 1 1  -11   21   17 o  577.131   11.389  903.022   35.517   0.0000   0.0000  903.022   35.517  ?   ?   577.131   11.389      ?      ? 
1 1 1  -11   21   18 o  231.037   7.6442  144.771   9.5367  141.289   13.633  148.108   13.345  228.298   11.051  233.776   10.564 -5.477661 15.28839 
1 1 1  -11   21   19 o  263.471   9.8892  188.074   14.079   0.0000   0.0000  188.074   14.079  ?   ?   263.471   9.8892      ?      ? 
1 1 1  -11   21   20 o  275.617   9.7227  205.826   14.481   0.0000   0.0000  205.826   14.481  ?   ?   275.617   9.7227      ?      ? 
1 1 1  -11   21   21 o  314.728   10.417  261.829   17.099  298.423   28.900  242.117   21.211  330.942   16.161  298.515   13.149 32.42639 20.83434 
1 1 1  -11   21   25 o   77.313   18.996   15.166   9.6475   15.486   12.720   14.732   14.803   76.807   25.877   77.820   27.817 -1.013039 37.99242 
1 1 1  -11   21   26 o  224.934   10.342  139.085   12.479  152.793   17.287  124.167   18.033  236.759   13.512  213.110   15.660 23.64899 20.68330 
1 1 1  -11   21   27 o  405.793   8.0914  452.350   17.046  431.982   27.997  464.348   21.488  398.047   13.016  413.538   9.6158 -15.49136 16.18278 
1 1 1  -11   21   28 o  183.506   8.4007   92.084   8.2927   87.638   12.134   95.982   11.360  179.247   12.527  187.765   11.196 -8.518188 16.80139 
1 1 1  -11   21   29 o  120.548   11.546   40.015   7.5006   41.299   10.342   38.590   10.895  122.681   15.600  118.415   17.027 4.265686 23.09268 
1 1 1  -11   21   30 o  206.032   7.8690  115.736   8.7504  112.272   12.559  119.005   12.199  202.984   11.450  209.079   10.797 -6.095337 15.73797 
1 1 1  -11   21   31 o  139.435   10.525   55.397   7.5958   39.221   11.114   69.574   10.405  119.226   17.251  159.644   12.062 -40.41866 21.04961 
1 1 1  -11   21   32 o  383.256   9.3265  399.641   19.315   0.0000   0.0000  399.641   19.315  ?   ?   383.256   9.3265      ?      ? 
1 1 1  -11   21   33 o   83.851   15.219   20.000   7.1687   28.762   10.580   12.562   9.7472   99.680   20.331   68.022   22.651 31.65831 30.43760 
1 1 1  -11   21   34 o  172.961   8.3653   81.647   7.7685   84.171   11.739   79.680   10.362  175.219   12.399  170.703   11.233 4.516037 16.73067 
1 1 1  -11   21   35 o   88.720   14.019   21.966   6.9123   34.358   10.351   11.991   9.2866  111.108   17.240   66.332   22.111 44.77589 28.03727 
1 1 1  -11   21   36 o  213.689   7.2567  124.912   8.3530  123.418   12.268  126.204   11.405  212.392   10.689  214.986   9.8173 -2.593552 14.51347 
1 1 1  -11   21   37 o  135.493   9.6408   50.658   6.9647   51.427   10.792   50.108   9.1178  136.128   14.671  134.858   12.512 1.269485 19.28166 
1 1 1  -11   21   38 o  253.628   6.7399  176.006   9.2048  175.419   13.583  176.505   12.517  253.104   9.9313  254.153   9.1145 -1.049530 13.47974 
1 1 1  -11   21   39 o   78.428   13.882   17.659   6.8439   4.6423   9.8736   29.696   9.4950   54.175   21.862  102.680   17.113 -48.50527 27.76311 
1 1 1  -11   21   40 o  295.353   8.8991  238.651   14.203   0.0000   0.0000  238.651   14.203  ?   ?   295.353   8.8991      ?      ? 
1 1 1  -11   21   41 o  152.838   8.8690   65.219   7.2785   61.147   10.689   68.740   9.9387  148.085   13.358  157.590   11.671 -9.505341 17.73807 
1 1 1  -11   21   42 o  128.323   10.081   45.163   6.8970   56.880   10.618   36.609   9.0716  142.557   13.783  114.090   14.715 28.46633 20.16167 
1 1 1  -11   21   43 o   84.353   13.973   21.709   6.5865   13.591   9.5495   29.076   9.0964   67.877   22.412  100.828   16.696 -32.95068 27.94680 
1 1 1  -11   21   44 o  134.991   9.8375   50.639   7.1164   57.096   10.962   45.935   9.3562  142.180   14.268  127.802   13.548 14.37879 19.67510 
1 1 1  -11   21   45 o   63.147   12.752   3.7531   6.7049   27.026   9.9086 -15.9044   9.1065   94.166   20.086   32.129   15.717 62.03669 25.50432 
1 1 1  -11   21   46 o  177.754   11.102   93.847   9.8330   99.992   12.088   81.824   16.907  188.962   11.838  166.545   18.786 22.41736 22.20486 
1 1 1  -11   21   47 o   64.516   15.176   12.385   7.0807   0.1615   11.811   19.243   8.8469   50.637   22.281   78.395   20.611 -27.75809 30.35243 
1 1 1  -11   21   48 f   90.163   14.575   29.446   7.6611   8.9955   13.034   40.241   9.4698   62.109   25.099  118.217   14.824 -56.10810 29.14983 
1 1 1  -11   21   49 o  162.943   8.7047   74.184   7.5528   79.982   11.894   70.265   9.7771  167.729   13.123  158.156   11.440 9.573059 17.40938 
1 1 1  -11   21   50 o  136.518   10.095   52.965   7.3762   63.913   11.261   44.738   9.7618  148.830   14.003  124.207   14.544 24.62316 20.18947 
1 1 1  -11   21   51 o  137.552   10.131   55.339   7.4178   52.005   11.264   57.891   9.8568  132.920   15.683  142.185   12.829 -9.265182 20.26169 
1 1 1  -11   21   52 o  114.185   12.661   41.337   7.3181   36.340   11.461   44.776   9.5091  105.119   20.912  123.250   14.278 -18.13127 25.32143 
1 1 1  -11   21   53 o   61.325   15.622   9.5534   7.0268   20.056   10.986   2.2812   9.1413   76.038   23.951   46.612   20.063 29.42620 31.24347 
1 1 1  -11   21   54 o   99.478   16.638   38.743   10.098   14.151   16.798   52.658   12.635   67.908   28.088  131.047   17.843 -63.13887 33.27666 
1 1 1  -11   21   55 o   60.699   17.883   11.576   9.3832   21.378   15.834   6.2703   11.649   69.569   27.822   51.829   22.477 17.73990 35.76675 
1 1 1  -11   21   56 o  114.863   12.554   41.007   7.4235   55.564   11.538   30.725   9.6970  133.917   15.944   95.809   19.396 38.10837 25.10812 
1 1 1  -11   21   57 o   50.981   15.184   6.5062   7.0573   11.503   11.090   3.1054   9.1488   57.026   23.114   44.936   19.695 12.09003 30.36728 
1 1 1  -11   22    1 o  140.740   10.479   53.612   7.9479   51.735   10.781   55.847   11.764  138.066   14.450  143.414   15.180 -5.348557 20.95784 
1 1 1  -11   22    2 o  832.684   10.670  1882.59   48.009  1875.63   67.948  1889.53   67.841  831.135   15.129  834.232   15.049 -3.097473 21.33955 
1 1 1  -11   22    4 o  512.837   7.6277  712.129   21.127  720.956   30.452  703.938   29.335  515.883   10.924  509.791   10.649 6.091675 15.25530 
1 1 1  -11   22    6 o  593.279   11.657  954.004   37.371   0.0000   0.0000  954.004   37.371  ?   ?   593.279   11.657      ?      ? 
1 1 1  -11   22    7 o  182.526   9.0911   90.397   8.8912   75.527   12.324  106.538   12.840  166.820   13.672  198.232   11.987 -31.41203 18.18227 
1 1 1  -11   22    9 o  140.898   11.396   55.264   8.4079   40.157   11.998   69.841   11.786  121.396   18.291  160.400   13.598 -39.00343 22.79124 
1 1 1  -11   22   10 o  474.726   10.336  610.593   26.514   0.0000   0.0000  610.593   26.514  ?   ?   474.726   10.336      ?      ? 
1 1 1  -11   22   11 o  262.283   7.4700  186.455   10.584  184.405   15.102  188.433   14.837  260.855   10.714  263.711   10.412 -2.855560 14.94002 
1 1 1  -11   22   12 o  224.753   8.0638  136.865   9.7747  125.575   13.627  148.830   14.028  215.190   11.719  234.315   11.079 -19.12534 16.12751 
1 1 1  -11   22   13 o  309.225   10.210  259.090   17.060  259.090   17.060   0.0000   0.0000  309.225   10.210  ?   ?       ?      ? 
1 1 1  -11   22   14 o  152.781   18.063   63.649   14.912   0.0000   0.0000   63.649   14.912  ?   ?   152.781   18.063      ?      ? 
1 1 1  -11   22   15 o  639.395   10.643  1103.68   34.754  1087.03   42.527  1137.16   60.303  632.858   12.436  645.931   17.277 -13.07300 21.28691 
1 1 1  -11   22   16 o  505.648   10.354  695.324   28.288  690.766   39.753  700.000   40.263  503.979   14.597  507.316   14.687 -3.336975 20.70739 
1 1 1  -11   22   17 o  258.391   9.5402  181.581   13.313  186.509   18.693  176.509   18.963  261.983   13.205  254.799   13.773 7.184280 19.08035 
1 1 1  -11   22   18 o  191.157   15.847   99.617   16.369   0.0000   0.0000   99.617   16.369  ?   ?   191.157   15.847      ?      ? 
1 1 1  -11   22   22 o   81.111   17.640   18.148   8.9554   9.4189   13.322   25.343   12.096   68.372   26.031   93.850   23.813 -25.47823 35.28008 
1 1 1  -11   22   24 o  382.437   9.4509  397.079   19.531   0.0000   0.0000  397.079   19.531  ?   ?   382.437   9.4509      ?      ? 
1 1 1  -11   22   26 o  275.684   7.0484  207.003   10.474  200.685   15.212  212.700   14.444  271.605   10.365  279.762   9.5547 -8.156158 14.09676 
1 1 1  -11   22   27 o  142.587   10.884   57.999   7.8837   35.866   11.180   79.888   11.118  114.014   18.147  171.160   12.021 -57.14635 21.76760 
1 1 1  -11   22   28 o  185.872   8.4719   94.201   8.5062   96.612   12.227   91.940   11.841  188.168   12.025  183.576   11.937 4.592484 16.94388 
1 1 1  -11   22   29 o  375.686   9.4232  383.917   19.130   0.0000   0.0000  383.917   19.130  ?   ?   375.686   9.4232      ?      ? 
1 1 1  -11   22   30 o   61.408   15.582   7.4599   7.1414   15.532   10.214  -0.2608   9.9888   74.099   23.054   48.718   20.971 25.38086 31.16497 
1 1 1  -11   22   31 o  177.463   11.635   86.158   11.158   0.0000   0.0000   86.158   11.158  ?   ?   177.463   11.635      ?      ? 
1 1 1  -11   22   32 o  318.340   9.1051  276.014   15.663   0.0000   0.0000  276.014   15.663  ?   ?   318.340   9.1051      ?      ? 
1 1 1  -11   22   33 f  192.214   8.0141  101.493   8.2861   96.604   12.125  105.776   11.350  187.715   11.954  196.713   10.677 -8.997375 16.02821 
1 1 1  -11   22   34 o  132.352   10.184   48.095   7.2517   52.086   10.899   44.924   9.7140  137.180   14.703  127.523   14.097 9.657005 20.36899 
1 1 1  -11   22   35 o   66.379   15.872   12.096   6.7652   12.292   9.7329   11.912   9.4100   66.878   22.635   65.881   22.257 0.9972534 31.74480 
1 1 1  -11   22   36 o  168.240   8.3167   77.839   7.5242   78.824   11.234   77.038   10.132  169.058   12.298  167.422   11.200 1.635376 16.63337 
1 1 1  -11   22   37 o  170.668   8.4319   81.037   7.6740   66.532   10.889   95.351   10.817  155.032   12.998  186.304   10.744 -31.27184 16.86388 
1 1 1  -11   22   38 o   39.378   12.936  -7.4512   6.5840  -5.2101   9.8586  -9.2555   8.8460   42.469   19.374   36.287   17.147 6.181889 25.87238 
1 1 1  -11   22   39 o  272.987   6.8812  205.374   10.111  195.645   14.736  214.030   13.900  266.621   10.228  279.352   9.2081 -12.73093 13.76234 
1 1 1  -11   22   40 f  163.614   8.7482   74.569   7.6836   72.852   11.461   75.970   10.355  161.613   13.124  165.615   11.571 -4.001190 17.49638 
1 1 1  -11   22   41 o  152.413   9.2491   65.856   7.4999   55.276   10.902   75.361   10.333  140.080   14.403  164.747   11.608 -24.66646 18.49817 
1 1 1  -11   22   42 o   71.443   14.651   13.534   6.7339   26.336   10.194   3.6247   8.9692   92.806   20.838   50.079   20.600 42.72654 29.30151 
1 1 1  -11   22   43 o  238.722   7.1830  158.763   9.1948  141.696   13.306  174.362   12.721  225.935   10.898  251.510   9.3599 -25.57480 14.36605 
1 1 1  -11   22   44 o   72.184   15.930   16.202   6.8871   15.218   10.371   16.979   9.2116   70.476   23.360   73.891   21.666 -3.414864 31.86024 
1 1 1  -11   22   45 o   93.824   16.705   29.155   8.3752   31.816   10.492   24.482   13.905  101.912   19.765   85.735   26.936 16.17722 33.40951 
1 1 1  -11   22   46 o   50.203   15.114   2.5317   7.2512  -2.8694   12.048   5.5994   9.0799   48.038   21.718   52.367   21.024 -4.328144 30.22708 
1 1 1  -11   22   47 o  128.578   12.720   52.287   7.8058   39.910   12.975   59.308   9.7720  112.313   22.166  144.843   12.485 -32.52969 25.44019 
1 1 1  -11   22   48 o  162.406   8.8460   74.578   7.6618   77.200   11.903   72.722   10.012  164.237   13.412  160.575   11.538 3.661819 17.69205 
1 1 1  -11   22   49 o  125.490   11.162   45.052   7.4447   58.164   11.529   35.673   9.7502  141.167   15.113  109.813   16.431 31.35381 22.32491 
1 1 1  -11   22   50 o  107.412   13.169   35.429   7.3767   44.796   11.050   27.899   9.9075  121.979   16.765   92.845   20.313 29.13432 26.33736 
1 1 1  -11   22   51 o  208.040   7.8959  124.278   8.7896  114.438   13.006  132.550   11.925  199.494   12.065  216.585   10.189 -17.09145 15.79186 
1 1 1  -11   22   52 o  117.642   16.652   56.053   10.396   21.288   17.677   74.437   12.854   76.406   29.749  158.878   14.973 -82.47232 33.30474 
1 1 1  -11   22   53 o  140.020   15.360   65.819   10.540   62.162   17.800   67.793   13.079  130.883   26.084  149.158   16.227 -18.27501 30.71991 
1 1 1  -11   22   54 o   49.869   15.643   4.3441   8.3925   3.8830   11.697   4.8333   12.049   49.224   21.890   50.515   22.352 -1.290226 31.28604 
1 1 1  -11   22   55 o  101.485   14.124   33.235   7.5196   47.465   11.906   23.794   9.6986  121.282   18.167   81.687   21.630 39.59551 28.24769 
1 1 1  -11   22   56 o  112.728   12.927   42.981   7.5525   42.652   11.637   43.220   9.9275  109.316   20.451  116.141   15.819 -6.824242 25.85485 
1 1 1  -11   23    1 o  386.582   8.9727  405.834   18.728  412.387   26.096  398.874   26.894  389.843   12.388  383.321   12.984 6.521637 17.94534 
1 1 1  -11   23    2 o  210.155   9.8251  119.657   11.115  116.532   14.994  123.468   16.560  207.157   13.395  213.153   14.378 -5.995361 19.65023 
1 1 1  -11   23    3 o  756.587   13.682  1561.01   55.877  1523.65   76.945  1602.70   81.278  747.138   19.059  766.037   19.635 -18.89899 27.36366 
1 1 1  -11   23    4 o  485.175   10.014  639.279   26.247  658.558   37.595  620.946   36.661  492.314   14.132  478.037   14.192 14.27710 20.02816 
1 1 1  -11   23    5 o  377.126   8.9607  386.021   18.260  382.883   25.764  389.189   25.884  375.583   12.695  378.669   12.650 -3.086517 17.92132 
1 1 1  -11   23    6 o  488.082   10.058  647.357   26.524  644.144   37.210  650.676   37.819  486.867   14.144  489.297   14.304 -2.430084 20.11572 
1 1 1  -11   23    7 o  331.997   8.9715  299.245   16.090  300.676   22.500  297.748   23.017  332.831   12.511  331.163   12.862 1.667755 17.94299 
1 1 1  -11   23    8 o  381.194   9.0840  394.595   18.708  403.829   26.457  385.360   26.457  385.677   12.695  376.711   12.997 8.965973 18.16802 
1 1 1  -11   23    9 o  446.286   9.6866  540.060   23.326  520.495   31.951  562.387   34.132  437.686   13.509  454.886   13.886 -17.20081 19.37316 
1 1 1  -11   23   10 o  169.806   11.482   78.562   10.525   78.626   14.564   78.491   15.228  169.911   15.862  169.701   16.606 0.2107391 22.96461 
1 1 1  -11   23   11 o  194.446   10.529  103.021   11.049  108.198   15.554   97.748   15.698  199.426   14.434  189.467   15.333 9.959167 21.05798 
1 1 1  -11   23   12 o  146.566   12.117   58.470   9.5826   55.428   13.131   61.937   14.016  142.506   17.051  150.626   17.221 -8.120026 24.23427 
1 1 1  -11   23   13 o  276.592   9.0173  205.642   13.389  188.469   17.739  228.378   20.412  263.358   12.465  289.827   13.033 -26.46915 18.03458 
1 1 1  -11   23   14 o  276.843   9.0746  207.516   13.540  196.667   18.353  220.473   20.057  268.965   12.628  284.721   13.036 -15.75644 18.14928 
1 1 1  -11   23   15 o  409.888   13.748  457.432   30.451   0.0000   0.0000  457.432   30.451  ?   ?   409.888   13.748      ?      ? 
1 1 1  -11   23   16 o  163.206   24.534   73.806   21.637   0.0000   0.0000   73.806   21.637  ?   ?   163.206   24.534      ?      ? 
1 1 1  -11   23   17 o  113.036   30.530   37.162   19.086   0.0000   0.0000   37.162   19.086  ?   ?   113.036   30.530      ?      ? 
1 1 1  -11   23   18 o  236.979   13.920  162.283   16.898  119.437   25.982  193.694   22.246  207.683   23.152  266.275   15.461 -58.59268 27.83983 
1 1 1  -11   23   19 o  231.820   10.001  144.179   11.776  139.659   14.281  153.784   20.816  226.599   11.663  237.042   16.251 -10.44279 20.00285 
1 1 1  -11   23   20 o  522.791   10.751  742.957   30.370   0.0000   0.0000  742.957   30.370  ?   ?   522.791   10.751      ?      ? 
1 1 1  -11   23   21 o   68.892   16.336   12.339   7.2629   9.2149   10.242   15.498   10.301   63.187   23.063   74.596   23.143 -11.40894 32.67234 
1 1 1  -11   23   23 o  116.041   12.620   37.718   7.6491   31.311   10.670   44.492   10.971  104.791   19.562  127.292   15.950 -22.50076 25.24096 
1 1 1  -11   23   24 o  144.964   10.662   57.365   8.2379   71.268   12.109   45.386   11.240  161.408   13.883  128.521   16.185 32.88634 21.32337 
1 1 1  -11   23   25 o   94.535   15.256   25.830   7.6528   21.518   10.672   30.394   10.980   86.169   22.629  102.900   20.467 -16.73019 30.51196 
1 1 1  -11   23   26 o  178.044   8.9519   87.504   8.5290   77.515   12.443   96.356   11.713  168.188   13.692  187.900   11.536 -19.71254 17.90390 
1 1 1  -11   23   27 f  136.983   10.447   51.461   7.7184   55.925   11.260   47.504   10.600  142.596   14.613  131.370   14.933 11.22557 20.89350 
1 1 1  -11   23   28 o  191.710   8.3567  100.250   8.6383  109.932   12.580   91.613   11.882  200.482   11.613  182.938   12.020 17.54472 16.71340 
1 1 1  -11   23   29 o  161.333   8.9806   71.343   7.8252   74.434   11.255   68.451   10.887  164.724   12.645  157.943   12.756 6.780579 17.96124 
1 1 1  -11   23   30 o  186.665   8.5080   96.120   8.5238   85.884   12.283  105.629   11.838  176.829   12.855  196.502   11.149 -19.67352 17.01593 
1 1 1  -11   23   31 o  222.159   7.5573  135.376   9.0427  128.359   13.100  141.762   12.498  216.513   11.197  227.805   10.153 -11.29263 15.11456 
1 1 1  -11   23   32 o  347.448   6.7583  329.897   12.672  309.099   17.854  351.008   17.988  336.301   9.8248  358.594   9.2830 -22.29343 13.51669 
1 1 1  -11   23   33 o  184.763   8.3444   94.054   8.3138   91.714   12.059   96.175   11.478  182.445   12.232  187.081   11.354 -4.636368 16.68888 
1 1 1  -11   23   34 o  289.689   6.8640  229.886   10.725  213.007   15.106  247.042   15.229  278.834   10.026  300.545   9.3775 -21.71164 13.72804 
1 1 1  -11   23   35 o   58.898   15.909   7.6771   7.0427   7.7887   10.253   7.5774   9.6905   59.490   22.792   58.305   22.201 1.184624 31.81724 
1 1 1  -11   23   36 o  285.190   6.8270  222.638   10.504  229.991   15.386  216.220   14.375  289.513   9.8348  280.868   9.4715 8.645050 13.65404 
1 1 1  -11   23   37 o  159.020   9.1291   70.414   7.8314   69.547   11.365   71.198   10.807  157.939   13.316  160.100   12.492 -2.160889 18.25819 
1 1 1  -11   23   38 o   85.187   14.745   21.934   6.7197   22.576   9.8641   21.379   9.1791   86.210   21.299   84.165   20.396 2.044373 29.48971 
1 1 1  -11   23   39 o  308.789   9.1111  262.017   15.203   0.0000   0.0000  262.017   15.203  ?   ?   308.789   9.1111      ?      ? 
1 1 1  -11   23   40 o  123.999   11.310   44.734   7.3929   35.190   10.711   53.417   10.216  110.239   17.981  137.758   13.724 -27.51936 22.62046 
1 1 1  -11   23   41 o  215.473   7.6462  129.161   8.8663  123.963   12.972  133.718   12.146  211.095   11.372  219.850   10.224 -8.755569 15.29249 
1 1 1  -11   23   42 o  172.826   8.7959   85.117   8.0129   64.665   11.377  105.248   11.287  151.074   13.937  194.579   10.735 -43.50540 17.59178 
1 1 1  -11   23   43 o   46.460   13.945  -2.5582   6.7720   8.5123   9.8534 -12.4686   9.3228   58.287   22.340   34.634   16.697 23.65269 27.89062 
1 1 1  -11   23   44 o   36.767   12.736 -18.1078   8.1882 -12.4297   9.7999 -31.2387   14.903   35.744   17.204   37.790   18.784 -2.046116 25.47142 
1 1 1  -11   23   45 o   47.751   14.612   0.1754   7.2837  -8.6937   11.836   5.5813   9.2406   42.931   20.145   52.570   21.172 -9.639519 29.22482 
1 1 1  -11   23   46 o  198.869   8.9505  112.350   9.1371  111.734   15.480  112.678   11.319  196.922   14.548  200.816   10.431 -3.893188 17.90093 
1 1 1  -11   23   47 o   68.836   16.485   15.359   7.3634   12.908   11.195   17.228   9.7759   65.081   24.054   72.592   22.549 -7.511070 32.97070 
1 1 1  -11   23   48 o  116.619   11.916   40.348   7.4685   43.362   11.289   38.002   9.9593  120.100   17.396  113.139   16.290 6.960907 23.83247 
1 1 1  -11   23   49 o  126.283   14.641   47.234   9.9910   0.0000   0.0000   47.234   9.9910  ?   ?   126.283   14.641      ?      ? 
1 1 1  -11   23   50 f   66.440   18.587   4.8847   8.9897   33.198   19.010  -3.2711   10.203   90.073   31.589   42.808   19.598 47.26453 37.17443 
1 1 1  -11   23   51 o   76.605   19.932   17.893   10.430   34.730   18.650   10.230   12.582   92.287   31.333   60.923   24.646 31.36493 39.86433 
1 1 1  -11   23   52 o  122.442   17.705   63.466   11.297   38.266   18.529   78.378   14.253   88.075   31.160  156.810   16.821 -68.73546 35.41027 
1 1 1  -11   23   53 o   44.871   14.239   0.6972   7.1303  -1.5168   11.292   2.1652   9.1952   44.735   20.531   45.006   19.735 -0.2709770 28.47754 
1 1 1  -11   23   54 o  111.190   13.577   42.006   7.8352   40.566   11.945   43.093   10.380  106.351   21.523  116.029   16.556 -9.678223 27.15448 
1 1 1  -11   24    1 f  526.008   14.678  753.829   41.721  753.829   41.721   0.0000   0.0000  526.008   14.678  ?   ?       ?      ? 
1 1 1  -11   24    2 o  410.716   13.033  458.784   28.925  458.784   28.925   0.0000   0.0000  410.716   13.033  ?   ?       ?      ? 
1 1 1  -11   24    3 o  365.079   7.8981  363.178   15.283  354.955   23.933  368.839   19.859  361.396   12.255  368.762   9.9662 -7.365906 15.79614 
1 1 1  -11   24    4 o  195.162   9.0683  102.970   9.5352  113.333   14.109   94.258   12.936  204.151   12.790  186.173   12.859 17.97832 18.13666 
1 1 1  -11   24    5 o  184.309   9.5534   91.386   9.4274  110.856   14.115   75.706   12.667  201.884   12.939  166.735   14.059 35.14854 19.10679 
1 1 1  -11   24    6 o  186.588   8.6820   94.558   8.7449   88.757   12.189  100.712   12.554  180.676   12.484  192.500   12.069 -11.82373 17.36408 
1 1 1  -11   24    8 o  484.305   10.543  636.671   27.590   0.0000   0.0000  636.671   27.590  ?   ?   484.305   10.543      ?      ? 
1 1 1  -11   24    9 o  120.501   13.848   41.491   8.5479   30.737   12.291   51.565   11.896  103.606   22.590  137.396   16.023 -33.78979 27.69580 
1 1 1  -11   24   12 o  196.421   12.372   90.214   11.417  139.505   24.635   76.732   12.884  225.102   20.253  167.740   14.214 57.36200 24.74309 
1 1 1  -11   24   13 o  236.473   13.632  157.822   16.924  121.532   24.766  189.617   23.182  209.699   21.856  263.246   16.297 -53.54646 27.26299 
1 1 1  -11   24   14 o  172.094   17.430   80.292   15.938   94.572   25.548   71.194   20.393  184.073   25.684  160.114   23.570 23.95912 34.86028 
1 1 1  -11   24   15 o  154.938   18.267   67.131   14.903   75.608   22.780   60.788   19.704  164.446   25.636  145.430   26.029 19.01564 36.53405 
1 1 1  -11   24   16 o  166.750   12.785   80.713   10.223   86.684   12.233   66.892   18.613  178.305   12.696  155.195   22.194 23.11028 25.56921 
1 1 1  -11   24   17 o  172.261   13.034   81.002   12.133   0.0000   0.0000   81.002   12.133  ?   ?   172.261   13.034      ?      ? 
1 1 1  -11   24   19 o  101.265   15.094   29.513   7.9989   30.137   11.374   28.902   11.251  102.364   21.259  100.166   21.434 2.198151 30.18848 
1 1 1  -11   24   20 o  116.035   13.169   38.067   7.9785   41.697   10.930   33.926   11.674  123.160   16.423  108.910   20.590 14.25003 26.33768 
1 1 1  -11   24   21 o  230.583   7.6013  144.767   9.4694  140.996   13.334  148.604   13.450  227.538   10.845  233.628   10.654 -6.090652 15.20260 
1 1 1  -11   24   22 o   83.688   16.450   20.051   7.8395   25.454   11.298   15.035   10.887   93.534   22.604   73.842   23.906 19.69126 32.90038 
1 1 1  -11   24   23 o  273.607   7.1699  203.485   10.572  183.411   14.618  225.499   15.308  259.425   10.428  287.789   9.8435 -28.36465 14.33974 
1 1 1  -11   24   24 o   48.666   14.830  -1.1977   7.2480  -5.7083   10.316   3.1997   10.186   43.790   19.916   53.543   21.980 -9.753391 29.66068 
1 1 1  -11   24   25 o   60.442   16.229   6.9823   7.4932   11.939   10.886   2.5183   10.330   68.014   23.901   52.870   21.960 15.14400 32.45815 
1 1 1  -11   24   26 o  190.723   8.6127   99.793   8.8565   97.816   12.886  101.562   12.193  188.830   12.629  192.615   11.714 -3.785187 17.22540 
1 1 1  -11   24   27 o  118.201   11.646   38.772   7.4381   38.075   10.460   39.485   10.579  117.115   16.529  119.288   16.412 -2.172806 23.29257 
1 1 1  -11   24   28 o   87.846   15.679   22.714   7.4613   25.238   10.685   20.311   10.423   92.623   21.724   83.070   22.614 9.552505 31.35807 
1 1 1  -11   24   30 o   65.094   15.417   9.0999   7.0188   20.171   10.704   0.7480   9.2966   82.319   23.113   47.869   20.408 34.45061 30.83350 
1 1 1  -11   24   31 o  108.520   13.171   33.537   7.5146   39.186   11.104   28.765   10.207  118.005   17.414   99.035   19.765 18.97009 26.34255 
1 1 1  -11   24   32 o  171.322   8.7951   81.558   8.0648   69.025   11.421   94.019   11.389  157.817   13.393  184.826   11.404 -27.00896 17.59024 
1 1 1  -11   24   33 o  143.328   10.501   57.966   8.0197   52.858   12.041   62.039   10.752  137.133   16.249  149.523   13.307 -12.39058 21.00222 
1 1 1  -11   24   34 o   53.488   15.684   3.4934   7.3921   3.5844   11.130   3.4216   9.8879   54.776   22.777   52.199   21.567 2.576721 31.36770 
1 1 1  -11   24   35 f  361.446   9.3153  358.604   18.194   0.0000   0.0000  358.604   18.194  ?   ?   361.446   9.3153      ?      ? 
1 1 1  -11   24   36 o  204.660   10.701  115.647   11.835   0.0000   0.0000  115.647   11.835  ?   ?   204.660   10.701      ?      ? 
1 1 1  -11   24   37 o   79.013   15.467   18.829   7.0783   26.053   10.285   12.329   9.7563   92.397   21.067   65.630   22.652 26.76688 30.93447 
1 1 1  -11   24   38 o  249.384   7.1569  171.969   9.6382  166.892   13.727  176.904   13.536  245.629   10.342  253.139   9.8954 -7.509613 14.31376 
1 1 1  -11   24   39 o   62.900   16.079   10.648   7.0518   13.473   10.349   8.1995   9.6346   67.729   23.333   58.071   22.131 9.658447 32.15860 
1 1 1  -11   24   40 o   34.390   11.761 -14.1081   6.6204  -9.0103   9.7863 -18.4095   8.9895   38.370   18.102   30.410   15.020 7.960257 23.52208 
1 1 1  -11   24   41 o   50.593   14.931   3.0689   6.8835   6.2771   9.8648   0.0246   9.6096   54.894   21.958   46.291   20.240 8.603367 29.86268 
1 1 1  -11   24   42 o   44.993   14.074  -1.7016   6.8474   2.7571   9.9800  -5.6675   9.4122   50.069   21.239   39.917   18.471 10.15201 28.14744 
1 1 1  -11   24   43 o   64.581   17.532   11.557   8.6875   14.689   10.593   5.1216   15.183   68.761   23.611   60.402   25.924 8.358772 35.06440 
1 1 1  -11   24   44 o  169.344   12.439   81.176   11.383   0.0000   0.0000   81.176   11.383  ?   ?   169.344   12.439      ?      ? 
1 1 1  -11   24   45 o   50.072   15.420   1.7508   7.7055   1.9207   12.095   1.6347   9.9966   52.023   22.727   48.121   20.845 3.901966 30.83920 
1 1 1  -11   24   46 o   50.077   14.867   3.1803   7.0980  -3.3293   11.051   7.7515   9.2608   44.988   20.519   55.166   21.518 -10.17808 29.73333 
1 1 1  -11   24   47 o   76.684   16.146   20.474   7.2472   17.866   11.103   22.410   9.5661   71.654   24.176   81.715   21.408 -10.06092 32.29220 
1 1 1  -11   24   48 o   74.387   18.773   8.1404   9.1987   44.865   19.539  -2.3169   10.426  104.739   31.761   44.035   20.025 60.70399 37.54677 
1 1 1  -11   24   49 o  225.229   11.505  150.542   13.371  156.149   22.548  147.500   16.606  225.183   18.530  225.275   13.642 -0.9170532E-01 23.00999 
1 1 1  -11   24   50 o   61.143   18.559   5.3538   10.528   25.270   18.808  -3.7342   12.705   76.482   30.408   45.804   21.287 30.67750 37.11874 
1 1 1  -11   24   51 o  200.991   8.3806  119.295   9.0189  118.418   13.636  119.978   12.025  199.117   12.673  202.866   10.969 -3.748367 16.76115 
1 1 1  -11   24   52 o   69.442   24.366   18.447   11.311   18.447   11.311   0.0000   0.0000   69.442   24.366  ?   ?       ?      ? 
1 1 1  -11   24   53 o   65.119   16.550   17.204   7.4855   15.311   11.200   18.733   10.063   61.809   23.787   68.428   23.017 -6.618271 33.09996 
1 1 1  -11   25    1 o  278.538   7.3571  210.897   11.067  204.884   15.762  216.743   15.542  274.588   10.623  282.488   10.181 -7.900482 14.71410 
1 1 1  -11   25    2 o  576.057   11.785  902.925   36.683   0.0000   0.0000  902.925   36.683  ?   ?   576.057   11.785      ?      ? 
1 1 1  -11   25    3 o  350.320   9.9324  333.257   18.802   0.0000   0.0000  333.257   18.802  ?   ?   350.320   9.9324      ?      ? 
1 1 1  -11   25    4 o  300.187   10.329  244.812   16.755  244.812   16.755   0.0000   0.0000  300.187   10.329  ?   ?       ?      ? 
1 1 1  -11   25    5 o  284.742   10.259  220.269   15.786   0.0000   0.0000  220.269   15.786  ?   ?   284.742   10.259      ?      ? 
1 1 1  -11   25    6 o  283.858   10.256  218.925   15.732   0.0000   0.0000  218.925   15.732  ?   ?   283.858   10.256      ?      ? 
1 1 1  -11   25    7 o  140.725   10.726   54.179   8.1561   53.960   11.494   54.402   11.575  140.441   15.146  141.009   15.192 -0.5679626 21.45165 
1 1 1  -11   25    8 o  237.358   12.811  176.519   13.138  117.973   26.004  196.583   15.223  205.808   23.383  268.908   10.476 -63.09923 25.62251 
1 1 1  -11   25    9 o   91.188   21.958   20.205   15.175 -10.2793   25.447   37.027   18.903   70.227   31.673  112.150   30.422 -41.92349 43.91672 
1 1 1  -11   25   10 o  117.824   20.024   29.536   14.707   78.581   24.943   3.3964   18.210  166.709   27.689   68.939   28.935 97.76970 40.04876 
1 1 1  -11   25   11 o  135.763   21.555   55.896   16.065   33.649   23.704   74.797   21.848  108.238   35.289  163.287   24.761 -55.04895 43.10964 
1 1 1  -11   25   12 o  257.477   13.879  191.276   18.458  143.581   28.000  227.928   24.546  226.780   22.849  288.174   15.763 -61.39378 27.75873 
1 1 1  -11   25   13 o  315.464   7.2334  270.903   12.316  265.283   17.737  276.137   17.115  312.242   10.512  318.685   9.9389 -6.442657 14.46685 
1 1 1  -11   25   14 o  141.607   11.126   55.603   8.2238   38.490   11.360   74.443   11.920  118.164   17.792  165.049   13.365 -46.88458 22.25260 
1 1 1  -11   25   15 o  196.736   8.4551  105.396   8.9738  103.071   12.289  108.052   13.135  194.454   11.696  199.018   12.214 -4.564163 16.91023 
1 1 1  -11   25   16 o  153.737   14.931   64.816   12.404   64.816   12.404   0.0000   0.0000  153.737   14.931  ?   ?       ?      ? 
1 1 1  -11   25   17 o  176.724   9.0302   85.228   8.6004   76.905   11.923   94.256   12.418  167.681   13.159  185.767   12.370 -18.08585 18.06030 
1 1 1  -11   25   18 o  173.677   9.3611   82.446   8.7730   76.557   12.163   88.833   12.666  167.183   13.464  180.170   13.009 -12.98755 18.72229 
1 1 1  -11   25   19 o  362.466   6.9602  357.609   13.626  342.487   19.066  373.397   19.481  354.606   9.9503  370.326   9.7350 -15.71979 13.92041 
1 1 1  -11   25   20 o  167.907   9.3922   77.120   8.4964   85.928   12.351   69.206   11.707  177.053   12.909  158.761   13.646 18.29175 18.78443 
1 1 1  -11   25   21 o   44.230   14.233  -7.3521   7.6720  -1.2499   10.783 -13.6076   10.918   49.380   21.519   39.081   18.634 10.29872 28.46552 
1 1 1  -11   25   22 o  222.180   7.7886  135.146   9.3339  129.268   13.407  140.676   13.003  217.389   11.413  226.970   10.602 -9.580368 15.57725 
1 1 1  -11   25   23 o  245.160   10.274  164.078   13.611   0.0000   0.0000  164.078   13.611  ?   ?   245.160   10.274      ?      ? 
1 1 1  -11   25   24 o  148.979   10.470   62.449   8.2252   47.884   11.778   76.313   11.491  131.282   16.603  166.675   12.759 -35.39270 20.93927 
1 1 1  -11   25   25 o  220.515   7.7000  133.279   9.1540  129.667   13.295  136.535   12.623  217.559   11.309  223.471   10.453 -5.911697 15.39993 
1 1 1  -11   25   26 o  121.077   11.960   41.049   7.8058   38.712   11.190   43.263   10.894  117.544   17.617  124.610   16.179 -7.066780 23.91913 
1 1 1  -11   25   27 o  109.915   13.800   36.426   7.7008   17.951   10.767   55.771   11.018   78.053   23.557  141.776   14.382 -63.72343 27.60016 
1 1 1  -11   25   28 o  184.349   8.7514   94.118   8.6660   82.770   12.281  105.373   12.230  172.996   13.137  195.701   11.565 -22.70567 17.50275 
1 1 1  -11   25   29 o  217.096   7.8973  130.636   9.1857  118.034   13.439  141.686   12.584  206.890   12.021  227.302   10.246 -20.41217 15.79466 
1 1 1  -11   25   30 o  258.548   7.2346  183.400   10.071  184.082   14.896  182.827   13.669  258.822   10.651  258.273   9.7939 0.5488892 14.46922 
1 1 1  -11   25   31 o  149.698   9.7567   61.990   7.8634   68.110   11.739   57.008   10.590  156.321   13.897  143.076   13.698 13.24446 19.51332 
1 1 1  -11   25   32 o  163.923   9.3497   74.492   8.2595   80.689   12.230   69.294   11.200  170.128   13.303  157.718   13.141 12.41048 18.69932 
1 1 1  -11   25   33 o  191.539   8.2277  101.721   8.4951  100.255   12.399  103.018   11.663  190.056   12.073  193.022   11.182 -2.965927 16.45541 
1 1 1  -11   25   34 o  285.935   9.2344  224.648   14.268   0.0000   0.0000  224.648   14.268  ?   ?   285.935   9.2344      ?      ? 
1 1 1  -11   25   35 o  139.489   10.806   55.963   8.0135   49.548   11.966   61.180   10.791  131.415   16.851  147.563   13.533 -16.14798 21.61187 
1 1 1  -11   25   36 o  133.138   11.104   50.846   7.9298   45.562   11.448   55.720   10.995  125.933   16.823  140.344   14.498 -14.41119 22.20811 
1 1 1  -11   25   37 o  204.094   11.371  115.982   12.541   0.0000   0.0000  115.982   12.541  ?   ?   204.094   11.371      ?      ? 
1 1 1  -11   25   38 o  198.989   8.1906  110.981   8.7626  106.893   12.904  114.478   11.936  195.196   12.234  202.781   10.893 -7.584717 16.38120 
1 1 1  -11   25   39 o   46.752   14.031  -1.4631   6.9283 -12.7395   10.287   7.8966   9.3725   36.846   17.707   56.658   21.771 -19.81213 28.06280 
1 1 1  -11   25   40 o   48.986   14.740   2.2338   6.8922  -0.3207   10.180   4.3958   9.3650   46.857   20.649   51.114   21.040 -4.256790 29.48023 
1 1 1  -11   25   41 o  171.308   8.6045   82.671   7.9360   84.161   11.775   81.431   10.742  172.436   12.637  170.180   11.682 2.256805 17.20909 
1 1 1  -11   25   42 o   64.229   17.732   11.165   8.5625   12.168   10.234   8.8243   15.633   64.048   23.103   64.410   26.906 -0.3623886 35.46393 
1 1 1  -11   25   43 o  154.946   14.050   69.311   11.764   0.0000   0.0000   69.311   11.764  ?   ?   154.946   14.050      ?      ? 
1 1 1  -11   25   44 o   57.634   16.268   8.2523   7.6271   5.1374   12.548   10.077   9.6050   55.941   23.776   59.327   22.210 -3.386662 32.53624 
1 1 1  -11   25   45 o   60.817   16.241   11.372   7.3089   10.181   10.913   12.341   9.8428   59.407   23.306   62.228   22.625 -2.820786 32.48166 
1 1 1  -11   25   46 o   45.234   15.373  -8.1903   8.7121 -10.1036   19.327  -7.7024   9.7600   52.392   24.929   38.076   17.998 14.31574 30.74689 
1 1 1  -11   25   47 o  131.618   17.529   58.797   11.736   59.009   19.217   58.671   14.821  126.667   28.736  136.569   20.083 -9.902412 35.05852 
1 1 1  -11   25   48 o   55.656   17.647   3.1337   10.642   5.3694   17.501   1.8221   13.405   59.305   26.546   52.008   23.259 7.296978 35.29412 
1 1 1  -11   25   49 o  163.201   10.008   82.914   8.6308   69.016   12.650   95.018   11.805  147.722   15.847  178.679   12.227 -30.95676 20.01595 
1 1 1  -11   25   50 o   69.336   16.742   17.522   7.6558   22.841   11.291   12.995   10.416   77.524   24.259   61.147   23.080 16.37679 33.48439 
1 1 1  -11   25   51 o   66.419   16.728   17.451   7.5942   20.914   11.177   14.481   10.350   71.452   24.256   61.385   23.041 10.06678 33.45537 
1 1 1  -11   26    2 o  285.730   10.457  222.137   16.145   0.0000   0.0000  222.137   16.145  ?   ?   285.730   10.457      ?      ? 
1 1 1  -11   26    3 o   96.072   15.629   26.635   7.9610   30.181   11.471   23.339   11.058  102.392   21.421   89.753   22.765 12.63921 31.25829 
1 1 1  -11   26    4 o   69.049   20.779   4.8909   11.036  -6.5000   27.531   7.0718   12.046   75.401   33.555   62.698   24.518 12.70322 41.55782 
1 1 1  -11   26    5 o  290.853   13.287  235.778   20.493  222.590   31.676  245.270   26.874  283.099   20.706  298.608   16.655 -15.50952 26.57339 
1 1 1  -11   26    6 o   81.141   22.806   8.2322   16.349 -14.0856   25.690   23.423   21.195   68.079   31.142   94.202   33.327 -26.12351 45.61208 
1 1 1  -11   26    7 o  290.743   13.025  238.279   20.023  193.761   29.398  276.802   27.347  264.087   20.601  317.400   15.945 -53.31274 26.05045 
1 1 1  -11   26    8 o  114.552   23.900   40.410   16.153   26.532   26.892   48.243   20.204  101.633   37.329  127.471   29.857 -25.83744 47.80040 
1 1 1  -11   26   10 o  356.740   7.0653  345.535   13.604  325.625   18.754  367.647   19.764  345.908   10.033  367.572   9.9504 -21.66403 14.13067 
1 1 1  -11   26   11 o  365.705   10.143  364.119   20.043   0.0000   0.0000  364.119   20.043  ?   ?   365.705   10.143      ?      ? 
1 1 1  -11   26   12 o  447.673   10.204  545.867   24.684   0.0000   0.0000  545.867   24.684  ?   ?   447.673   10.204      ?      ? 
1 1 1  -11   26   13 o   79.662   12.862   11.130   7.7313 -11.6679   10.330   40.160   11.657   38.972   18.450  120.353   17.924 -81.38071 25.72328 
1 1 1  -11   26   14 o  257.057   7.6122  180.286   10.573  183.873   15.019  176.761   14.886  259.605   10.706  254.508   10.824 5.097519 15.22443 
1 1 1  -11   26   15 o  186.705   8.6702   95.031   8.7268   87.107   11.926  104.162   12.803  178.341   12.376  195.069   12.146 -16.72763 17.34043 
1 1 1  -11   26   17 o  108.632   20.369   34.094   11.518   0.0000   0.0000   34.094   11.518  ?   ?   108.632   20.369      ?      ? 
1 1 1  -11   26   18 o  163.019   9.7799   73.042   8.6015   71.530   11.789   74.763   12.578  161.282   13.527  164.756   14.128 -3.474030 19.55984 
1 1 1  -11   26   19 o  352.877   9.7704  339.657   18.630   0.0000   0.0000  339.657   18.630  ?   ?   352.877   9.7704      ?      ? 
1 1 1  -11   26   20 o  218.948   7.9711  131.222   9.4297  128.449   13.283  134.039   13.388  216.597   11.349  221.299   11.196 -4.702042 15.94226 
1 1 1  -11   26   21 o   99.512   14.661   29.852   7.7997   41.000   10.731   17.368   11.356  121.422   16.356   77.602   24.336 43.81995 29.32172 
1 1 1  -11   26   22 o  160.366   9.9046   71.956   8.3936   54.796   11.822   89.397   11.919  140.416   15.581  180.317   12.232 -39.90067 19.80914 
1 1 1  -11   26   23 o  372.592   9.8869  379.765   19.906   0.0000   0.0000  379.765   19.906  ?   ?   372.592   9.8869      ?      ? 
1 1 1  -11   26   24 o  432.131   7.2815  512.072   16.986  502.768   24.432  520.777   23.632  428.172   10.560  436.090   10.029 -7.917297 14.56304 
1 1 1  -11   26   25 o   53.620   15.619   3.5162   7.3113   4.3922   10.410   2.6636   10.271   54.905   22.343   52.335   21.831 2.569893 31.23777 
1 1 1  -11   26   26 o  126.829   11.815   45.190   8.0621   45.555   11.984   44.888   10.897  127.073   17.452  126.586   15.930 0.4865189 23.62950 
1 1 1  -11   26   27 o  138.842   10.265   53.579   7.6670   61.015   11.169   46.952   10.544  148.087   13.957  129.598   15.056 18.48822 20.53027 
1 1 1  -11   26   28 o   55.649   15.862   4.9741   7.4320   1.9496   10.711   7.7817   10.320   52.000   22.028   59.297   22.830 -7.297009 31.72434 
1 1 1  -11   26   29 o  201.789   8.1861  111.457   8.8773  125.695   13.413  100.359   11.842  213.104   11.648  190.474   11.505 22.62930 16.37210 
1 1 1  -11   26   30 o   90.954   15.612   25.192   7.5922   26.679   11.001   23.840   10.491   93.526   22.116   88.383   22.041 5.142921 31.22382 
1 1 1  -11   26   31 o  116.922   12.036   38.993   7.5943   39.818   11.068   38.260   10.439  117.961   17.364  115.883   16.671 2.078270 24.07128 
1 1 1  -11   26   32 o   95.474   14.861   27.410   7.4837   34.959   11.180   21.280   10.073  107.939   19.901   83.010   22.075 24.92948 29.72115 
1 1 1  -11   26   33 o  149.107   10.182   62.561   8.1233   75.213   11.900   51.521   11.116  163.578   13.463  134.635   15.279 28.94270 20.36438 
1 1 1  -11   26   34 o   50.972   15.101   1.8391   7.2750  -3.9023   10.354   7.4364   10.224   44.251   20.058   57.694   22.580 -13.44244 30.20250 
1 1 1  -11   26   35 o  149.928   10.299   64.772   8.2049   53.645   11.871   74.948   11.353  136.610   16.082  163.245   12.870 -26.63557 20.59749 
1 1 1  -11   26   36 o  110.633   13.542   37.970   7.6259   27.345   11.206   47.135   10.408   92.943   22.544  128.323   15.009 -35.38066 27.08300 
1 1 1  -11   26   37 o  170.097   8.9391   82.085   8.1474   70.540   11.545   93.541   11.500  157.570   13.559  182.623   11.653 -25.05322 17.87827 
1 1 1  -11   26   38 o  136.340   11.075   54.397   7.9981   42.794   11.302   66.038   11.320  120.573   17.346  152.107   13.773 -31.53467 22.14925 
1 1 1  -11   26   39 o   89.686   15.643   25.554   7.7074   33.930   11.233   18.103   10.595  104.355   20.651   75.018   23.503 29.33707 31.28683 
1 1 1  -11   26   40 o  130.009   11.512   49.479   7.9471   61.442   11.544   38.704   10.956  145.915   14.641  114.103   17.770 31.81253 23.02464 
1 1 1  -11   26   41 o   71.519   16.797   17.107   8.5399   24.275   10.592   3.7905   14.437   85.863   22.542   57.176   24.908 28.68706 33.59383 
1 1 1  -11   26   42 o  100.268   17.784   33.489   9.1225   31.765   10.995   37.297   16.342   99.389   21.123  101.147   28.616 -1.757660 35.56794 
1 1 1  -11   26   43 o   50.878   15.699   2.8991   8.0699   0.0159   13.143   4.6437   10.224   50.630   22.806   51.127   21.581 -0.4968529 31.39840 
1 1 1  -11   26   44 o   71.174   19.505   7.4803   9.5086   40.541   20.900  -1.1485   10.678   96.796   33.168   45.553   20.534 51.24245 39.00946 
1 1 1  -11   26   45 o  170.032   16.363   78.710   12.617  195.000   22.781   27.252   15.154  254.809   16.545   85.254   28.236 169.5545 32.72653 
1 1 1  -11   26   46 o   56.383   18.001   1.3426   10.853   10.640   19.137  -3.0653   13.177   64.947   28.475   47.819   22.031 17.12888 36.00260 
1 1 1  -11   26   47 o   46.554   14.664   1.6283   7.6863  -4.2696   11.049   7.1590   10.699   41.352   19.423   51.756   21.975 -10.40424 29.32837 
1 1 1  -11   26   48 o  162.346   10.291   81.159   8.7884   63.861   12.689   97.108   12.184  143.015   16.419  181.677   12.411 -38.66231 20.58186 
1 1 1  -11   26   49 o   58.471   15.571   10.442   7.6435  -0.6225   10.912   21.100   10.710   43.976   20.182   72.966   23.717 -28.99001 31.14194 
1 1 1  -11   27    1 o  329.905   12.838  299.995   22.397  315.540   35.901  290.090   28.657  335.967   19.775  323.843   16.376 12.12424 25.67556 
1 1 1  -11   27    2 o  122.352   24.388   46.294   16.516   43.919   27.348   47.658   20.721  119.378   37.810  125.326   30.813 -5.948273 48.77512 
1 1 1  -11   27    3 o  107.890   25.250   34.708   17.730   21.975   27.121   44.212   23.431   95.901   36.985  119.878   34.384 -23.97719 50.49918 
1 1 1  -11   27    4 o  324.111   16.525  290.766   28.942   0.0000   0.0000  290.766   28.942  ?   ?   324.111   16.525      ?      ? 
1 1 1  -11   27    5 o  133.527   12.439   51.137   8.3936   67.033   11.917   35.488   11.824  156.111   14.127  110.943   20.478 45.16820 24.87831 
1 1 1  -11   27    6 o   78.730   16.768   17.866   7.8300   21.303   10.821   14.087   11.344   85.288   22.967   72.172   24.438 13.11592 33.53619 
1 1 1  -11   27    7 o  184.258   8.3976   92.735   8.3486   85.919   11.546  100.203   12.086  177.140   12.062  191.377   11.687 -14.23712 16.79528 
1 1 1  -11   27    8 o  121.250   11.745   40.753   7.6888   38.669   10.826   42.874   10.922  118.054   16.971  124.445   16.241 -6.390526 23.49014 
1 1 1  -11   27    9 f  112.355   13.453   35.724   8.0007   34.241   11.198   37.270   11.435  109.078   19.725  115.632   18.301 -6.554314 26.90671 
1 1 1  -11   27   10 o  255.172   10.953  177.944   15.103   0.0000   0.0000  177.944   15.103  ?   ?   255.172   10.953      ?      ? 
1 1 1  -11   27   11 o  208.495   8.2358  118.940   9.2698  111.880   12.963  126.330   13.261  202.114   11.869  214.877   11.421 -12.76340 16.47157 
1 1 1  -11   27   12 o  159.818   9.8917   70.307   8.5109   62.506   11.845   78.631   12.237  150.532   14.562  169.105   13.391 -18.57294 19.78348 
1 1 1  -11   27   13 o  102.971   14.693   31.372   7.9735   40.252   11.013   21.587   11.560  120.330   16.937   85.613   24.014 34.71689 29.38555 
1 1 1  -11   27   14 o   66.914   15.371   9.6235   7.5877   22.178   10.609  -3.5229   10.856   86.767   22.455   47.061   20.998 39.70584 30.74275 
1 1 1  -11   27   15 o  182.568   9.3128   91.932   9.1523  101.099   12.949   82.782   12.937  191.850   12.491  173.286   13.816 18.56346 18.62564 
1 1 1  -11   27   16 f  112.150   12.612   35.183   7.6419   34.236   10.737   36.154   10.879  110.594   17.966  113.706   17.706 -3.112358 25.22486 
1 1 1  -11   27   17 o  244.920   10.891  164.343   14.414   0.0000   0.0000  164.343   14.414  ?   ?   244.920   10.891      ?      ? 
1 1 1  -11   27   18 o  254.099   10.570  176.902   14.514   0.0000   0.0000  176.902   14.514  ?   ?   254.099   10.570      ?      ? 
1 1 1  -11   27   19 o  104.380   14.249   32.603   7.7512   43.043   10.782   21.436   11.151  124.117   16.076   84.643   23.531 39.47391 28.49774 
1 1 1  -11   27   20 o  105.741   14.094   33.853   7.7027   47.334   10.755   19.655   11.037  130.302   15.275   81.181   23.690 49.12100 28.18773 
1 1 1  -11   27   21 o  246.886   10.658  167.310   14.219  167.310   14.219   0.0000   0.0000  246.886   10.658  ?   ?       ?      ? 
1 1 1  -11   27   22 o  250.919   7.5031  173.019   10.164  168.796   14.564  177.029   14.192  247.830   10.876  254.008   10.340 -6.177994 15.00622 
1 1 1  -11   27   23 o  208.541   8.1091  119.529   9.1208  130.271   13.246  109.844   12.578  217.497   11.270  199.585   11.662 17.91225 16.21813 
1 1 1  -11   27   24 o   61.469   16.502   8.7777   7.5628   9.6859   10.790   7.9006   10.603   62.978   23.548   59.960   23.125 3.017365 33.00420 
1 1 1  -11   27   25 o  281.463   7.2605  218.410   11.019  209.016   15.883  227.125   15.299  275.413   10.672  287.513   9.8470 -12.10037 14.52107 
1 1 1  -11   27   26 o  220.292   10.783  133.922   12.835   0.0000   0.0000  133.922   12.835  ?   ?   220.292   10.783      ?      ? 
1 1 1  -11   27   27 o   75.256   16.726   16.785   7.7489   12.072   10.781   21.822   11.145   66.372   23.738   84.141   23.572 -17.76868 33.45293 
1 1 1  -11   27   28 o  197.158   11.576  107.836   12.333   0.0000   0.0000  107.836   12.333  ?   ?   197.158   11.576      ?      ? 
1 1 1  -11   27   29 o   78.729   16.436   19.220   7.5282   21.714   10.538   16.622   10.758   83.602   22.730   73.856   23.748 9.746140 32.87265 
1 1 1  -11   27   30 o  144.840   10.467   59.422   8.1895   58.456   11.416   60.446   11.755  143.672   14.704  146.008   14.899 -2.335464 20.93325 
1 1 1  -11   27   31 o   58.709   16.053   6.8364   7.5869   13.409   10.895   0.6492   10.571   67.984   23.911   49.435   21.425 18.54884 32.10553 
1 1 1  -11   27   32 o  169.086   9.1669   80.576   8.3557   77.035   12.049   83.857   11.598  165.221   13.496  172.951   12.410 -7.729660 18.33380 
1 1 1  -11   27   33 o   67.425   16.285   13.091   7.4726   19.175   10.554   6.9758   10.582   77.783   23.288   57.066   22.770 20.71703 32.57055 
1 1 1  -11   27   34 o   95.557   14.754   28.261   7.6257   20.273   10.653   36.654   10.920   79.564   23.291  111.550   18.117 -31.98621 29.50732 
1 1 1  -11   27   35 o  104.215   14.202   33.336   7.7852   41.622   11.225   25.658   10.806  118.924   17.468   89.506   22.397 29.41856 28.40378 
1 1 1  -11   27   36 o   65.633   16.480   12.759   7.3836   15.570   10.691   10.196   10.210   70.341   23.723   60.924   22.881 9.416901 32.95988 
1 1 1  -11   27   37 f  188.138   8.6473   99.986   8.7828   94.968   12.398  105.042   12.444  183.199   12.524  193.078   11.927 -9.878784 17.29458 
1 1 1  -11   27   38 o  153.949   9.8272   67.825   8.1492   75.655   11.983   61.087   11.115  162.331   13.660  145.567   14.131 16.76433 19.65433 
1 1 1  -11   27   39 o  209.764   8.2302  125.291   9.2644  113.879   13.446  135.604   12.782  199.931   12.446  219.597   10.772 -19.66623 16.46042 
1 1 1  -11   27   40 o   90.700   18.557   28.466   9.1901   27.294   11.089   31.036   16.421   90.497   22.713   90.904   29.352 -0.4071503 37.11332 
1 1 1  -11   27   41 o   84.903   18.219   22.087   9.3654   11.008   11.467   44.279   16.230   60.716   23.868  109.090   27.531 -48.37449 36.43704 
1 1 1  -11   27   42 o   88.874   27.173   29.369   14.260   0.0000   0.0000   29.369   14.260  ?   ?    88.874   27.173      ?      ? 
1 1 1  -11   27   43 o  107.757   22.076   41.315   12.894   62.995   23.272   31.712   15.488  123.668   33.841   91.845   28.359 31.82319 44.15233 
1 1 1  -11   27   44 o   86.097   20.737   31.046   11.986   23.896   19.836   35.158   15.042   76.630   30.965   95.564   27.590 -18.93350 41.47340 
1 1 1  -11   27   45 f   50.766   15.196   5.5659   7.5522  -1.1202   10.763   12.050   10.599   43.376   19.957   58.155   22.920 -14.77952 30.39125 
1 1 1  -11   27   46 o  102.670   14.984   36.404   8.0370   34.245   11.194   38.702   11.547   99.067   21.525  106.272   20.852 -7.204842 29.96898 
1 1 1  -11   27   47 o   43.690   13.914  -4.1510   7.6530 -17.5638   10.866   9.0497   10.780   33.237   16.435   54.142   22.457 -20.90555 27.82825 
1 1 1  -11   28    1 o   72.589   16.102   14.413   7.5420   6.3604   10.852   21.937   10.490   58.939   23.203   86.239   22.333 -27.29975 32.20465 
1 1 1  -11   28    2 o  108.489   33.373   36.284   21.472   0.0000   0.0000   36.284   21.472  ?   ?   108.489   33.373      ?      ? 
1 1 1  -11   28    3 o  197.496   8.4451  106.840   8.9850  105.030   12.194  108.989   13.290  195.771   11.527  199.221   12.346 -3.449570 16.89019 
1 1 1  -11   28    4 o  167.512   9.1814   77.120   8.3060   79.430   12.000   74.997   11.508  169.897   13.071  165.127   12.897 4.769714 18.36288 
1 1 1  -11   28    5 o  191.649   8.8861   99.488   9.0967  123.459   13.718   80.673   12.153  212.109   11.968  171.189   13.138 40.91974 17.77217 
1 1 1  -11   28    6 o  125.525   11.546   44.023   7.7817   45.983   10.587   41.718   11.477  128.817   15.209  122.232   17.377 6.584702 23.09233 
1 1 1  -11   28    7 o  181.905   8.8290   90.947   8.6768   88.481   12.162   93.503   12.382  179.379   12.548  184.431   12.424 -5.051941 17.65807 
1 1 1  -11   28    8 o  149.984   10.377   62.364   8.3043   50.256   11.500   75.556   12.004  134.454   15.829  165.515   13.421 -31.06064 20.75303 
1 1 1  -11   28   10 f  252.412   7.6440  174.561   10.413  162.961   14.574  186.660   14.883  243.762   11.064  261.061   10.550 -17.29877 15.28800 
1 1 1  -11   28   11 o   86.351   16.263   22.306   7.8704   27.594   11.036   16.834   11.227   96.496   21.692   76.206   24.235 20.29012 32.52526 
1 1 1  -11   28   12 o  167.382   9.5597   76.921   8.6137   69.681   11.622   85.746   12.831  158.699   13.553  176.066   13.486 -17.36694 19.11936 
1 1 1  -11   28   13 o  204.660   12.133  115.400   13.418   0.0000   0.0000  115.400   13.418  ?   ?   204.660   12.133      ?      ? 
1 1 1  -11   28   14 o   58.063   16.091   5.2920   7.6968  -0.8927   10.802   11.671   10.970   49.289   21.507   66.838   23.940 -17.54901 32.18207 
1 1 1  -11   28   15 o  239.049   11.034  157.013   14.252   0.0000   0.0000  157.013   14.252  ?   ?   239.049   11.034      ?      ? 
1 1 1  -11   28   16 o  155.228   10.496   68.213   8.6526   57.751   12.738   77.175   11.790  143.467   16.431  166.989   13.066 -23.52257 20.99286 
1 1 1  -11   28   17 o  175.311   12.802   85.027   12.128   0.0000   0.0000   85.027   12.128  ?   ?   175.311   12.802      ?      ? 
1 1 1  -11   28   18 o  159.513   9.6776   70.311   8.3167   65.766   11.243   75.802   12.359  153.905   13.519  165.122   13.851 -11.21684 19.35527 
1 1 1  -11   28   19 o  131.340   15.789   48.448   11.206   0.0000   0.0000   48.448   11.206  ?   ?   131.340   15.789      ?      ? 
1 1 1  -11   28   20 o   53.319   15.479   2.7845   7.3212  -1.9206   9.9696   8.2918   10.786   45.939   20.330   60.698   23.348 -14.75890 30.95831 
1 1 1  -11   28   21 o   46.883   14.581  -2.7170   7.3180  -7.9125   10.016   3.2319   10.718   40.337   18.798   53.428   22.295 -13.09190 29.16211 
1 1 1  -11   28   22 f  225.581   7.9257  140.887   9.6451  133.080   13.734  148.483   13.548  219.227   11.594  231.935   10.810 -12.70789 15.85149 
1 1 1  -11   28   23 o  117.327   12.457   39.217   7.8812   36.192   10.784   42.685   11.546  112.441   17.749  122.213   17.484 -9.772064 24.91409 
1 1 1  -11   28   24 o   71.346   16.152   14.586   7.6808   22.601   10.548   5.5381   11.207   85.701   22.493   56.990   23.186 28.71150 32.30312 
1 1 1  -11   28   25 o  175.124   9.4050   85.909   8.8746   86.714   13.074   85.222   12.086  175.655   13.774  174.593   12.810 1.062119 18.80993 
1 1 1  -11   28   26 o  193.838   8.4906  105.152   8.8301   90.946   12.464  119.469   12.512  180.234   12.797  207.442   11.162 -27.20811 16.98117 
1 1 1  -11   28   27 o  101.006   15.221   31.408   8.0543   33.865   11.247   28.821   11.539  105.735   20.425   96.278   22.572 9.456978 30.44126 
1 1 1  -11   28   28 o   85.578   16.184   22.825   7.9826   31.760   11.422   14.293   11.161  101.595   21.477   69.561   24.215 32.03424 32.36714 
1 1 1  -11   28   29 o  137.939   15.351   54.415   11.442   0.0000   0.0000   54.415   11.442  ?   ?   137.939   15.351      ?      ? 
1 1 1  -11   28   30 o   78.896   13.309   15.922   7.5461   38.109   10.895  -4.5345   10.462  114.186   17.658   43.607   19.919 70.57851 26.61871 
1 1 1  -11   28   31 o  205.676   11.288  118.307   12.545   0.0000   0.0000  118.307   12.545  ?   ?   205.676   11.288      ?      ? 
1 1 1  -11   28   32 o   61.873   16.469   10.407   7.5346   12.438   10.608   8.3391   10.704   65.032   23.511   58.715   23.067 6.317684 32.93741 
1 1 1  -11   28   33 o   44.143   14.261  -4.2555   7.5935  -3.2863   10.777  -5.2109   10.701   45.077   20.445   43.208   19.887 1.869625 28.52195 
1 1 1  -11   28   34 o  108.730   13.715   36.247   7.7850   42.378   10.932   29.937   11.089  120.261   16.822   97.198   21.667 23.06303 27.43023 
1 1 1  -11   28   35 o   58.114   16.202   8.3161   7.5150   9.6208   10.472   6.9310   10.790   59.875   23.012   56.353   22.815 3.522194 32.40441 
1 1 1  -11   28   36 o  123.398   12.383   45.605   8.2444   44.045   11.825   47.080   11.500  120.938   18.095  125.857   16.910 -4.918671 24.76635 
1 1 1  -11   28   37 o   73.257   16.662   17.207   7.7794   24.347   11.366   10.914   10.671   85.015   23.799   61.500   23.325 23.51544 33.32355 
1 1 1  -11   28   38 o  116.996   13.010   42.229   8.2181   42.987   11.486   41.434   11.764  118.421   17.949  115.571   18.837 2.850311 26.01908 
1 1 1  -11   28   39 o  185.798   18.463  107.500   18.537   0.0000   0.0000  107.500   18.537  ?   ?   185.798   18.463      ?      ? 
1 1 1  -11   28   40 o   76.667   31.868   21.532   21.777   21.532   21.777   0.0000   0.0000   76.667   31.868  ?   ?       ?      ? 
1 1 1  -11   28   41 o   87.138   29.023   29.077   16.002   0.0000   0.0000   29.077   16.002  ?   ?    87.138   29.023      ?      ? 
1 1 1  -11   28   42 f   73.705   19.064   20.362   9.7719   15.408   12.527   28.063   15.617   65.545   25.174   81.864   28.636 -16.31908 38.12799 
1 1 1  -11   28   43 o   55.666   16.115   9.4445   8.0719   3.0236   11.704   15.270   11.147   48.381   21.678   62.951   23.849 -14.56933 32.22941 
1 1 1  -11   28   44 o   48.367   15.171   1.8251   8.0239   6.4693   11.418  -2.7058   11.278   52.907   22.588   43.827   20.259 9.079746 30.34193 
1 1 1  -11   28   45 o   49.675   14.741   0.2483   7.8565   16.886   11.332 -15.1499   10.902   64.994   24.166   34.356   16.886 30.63831 29.48108 
1 1 1  -11   29    1 o  240.870   8.5577  158.366   11.138   0.0000   0.0000  158.366   11.138  ?   ?   240.870   8.5577      ?      ? 
1 1 1  -11   29    2 o  280.937   11.314  218.371   15.582  214.887   18.453  227.027   29.086  279.101   12.236  282.773   19.035 -3.672150 22.62865 
1 1 1  -11   29    3 o  128.664   33.113   53.401   23.157   0.0000   0.0000   53.401   23.157  ?   ?   128.664   33.113      ?      ? 
1 1 1  -11   29    4 f  184.255   8.7420   93.665   8.6936  100.037   12.436   87.574   12.158  190.468   12.083  178.041   12.637 12.42766 17.48408 
1 1 1  -11   29    5 o  127.066   11.399   45.380   7.7842   50.540   10.996   40.196   11.021  134.604   15.118  119.528   17.063 15.07568 22.79718 
1 1 1  -11   29    6 o   87.765   16.013   23.088   7.6415   21.834   10.530   24.482   11.106   85.308   22.515   90.222   22.777 -4.913673 32.02671 
1 1 1  -11   29    7 o  250.962   10.882  173.071   14.758   0.0000   0.0000  173.071   14.758  ?   ?   250.962   10.882      ?      ? 
1 1 1  -11   29    9 o   52.363   15.470   0.6569   7.7689   8.0786   10.819  -7.2429   11.162   60.767   23.381   43.960   20.262 16.80642 30.93932 
1 1 1  -11   29   10 o  197.604   8.6116  107.873   9.1930  109.350   12.918  106.357   13.086  199.034   12.011  196.174   12.344 2.859665 17.22316 
1 1 1  -11   29   11 o  105.614   14.424   32.891   7.9282   31.129   10.943   34.837   11.502  102.547   20.466  108.681   20.333 -6.133820 28.84893 
1 1 1  -11   29   12 o   66.383   16.355   11.835   7.3935   15.772   10.186   7.4507   10.749   73.202   23.062   59.563   23.197 13.63909 32.71031 
1 1 1  -11   29   13 o   50.237   15.221  -0.6131   7.5679  -5.9055   10.273   5.6663   11.191   42.815   19.625   57.659   23.272 -14.84472 30.44205 
1 1 1  -11   29   14 o  224.086   11.572  138.775   14.012   0.0000   0.0000  138.775   14.012  ?   ?   224.086   11.572      ?      ? 
1 1 1  -11   29   15 o  199.741   11.749  110.441   12.681   0.0000   0.0000  110.441   12.681  ?   ?   199.741   11.749      ?      ? 
1 1 1  -11   29   16 o  160.550   9.9651   72.376   8.5981   81.045   12.187   63.785   12.132  170.485   13.229  150.616   14.907 19.86868 19.93021 
1 1 1  -11   29   17 o  161.640   9.8919   73.011   8.6292   76.131   12.597   70.253   11.845  164.824   14.144  158.457   13.833 6.366989 19.78388 
1 1 1  -11   29   18 o  151.955   10.613   64.972   8.7089   67.258   12.601   62.882   12.050  154.475   15.096  149.435   14.922 5.039322 21.22659 
1 1 1  -11   29   19 o  133.745   11.769   50.627   8.3847   40.086   11.405   63.026   12.369  118.162   17.862  149.327   15.329 -31.16498 23.53754 
1 1 1  -11   29   20 o   90.902   15.334   25.867   7.5828   32.680   10.432   18.233   11.042  104.772   19.131   77.032   23.971 27.74001 30.66879 
1 1 1  -11   29   21 o   50.118   14.699   0.1449   7.1701   9.3957   10.145  -9.0883   10.135   60.826   22.815   39.409   18.540 21.41706 29.39865 
1 1 1  -11   29   22 o  110.946   14.010   36.894   8.1189   43.828   11.494   29.990   11.469  123.350   17.245   98.542   22.086 24.80807 28.02068 
1 1 1  -11   29   23 o   83.173   16.809   21.746   7.9323   21.967   11.017   21.508   11.430   83.683   23.433   82.663   24.104 1.019592 33.61731 
1 1 1  -11   29   24 o  165.863   13.661   77.554   12.244   0.0000   0.0000   77.554   12.244  ?   ?   165.863   13.661      ?      ? 
1 1 1  -11   29   25 o   63.116   16.383   10.657   7.3389   8.2222   9.9272   13.592   10.898   58.261   22.402   67.971   23.913 -9.709538 32.76690 
1 1 1  -11   29   26 o   63.643   16.183   9.9880   7.6833   18.548   10.991   1.8062   10.745   76.557   23.931   50.730   21.792 25.82635 32.36583 
1 1 1  -11   29   27 o   61.208   16.397   9.8788   7.4405   10.020   10.140   9.7136   10.952   61.033   22.826   61.384   23.547 -0.3509941 32.79457 
1 1 1  -11   29   28 o  101.401   14.920   32.108   7.8995   31.732   11.474   32.446   10.892  100.390   21.778  102.411   20.398 -2.021553 29.83915 
1 1 1  -11   29   29 o   77.857   16.691   19.345   7.8880   13.251   11.002   25.793   11.316   66.529   23.960   89.185   23.244 -22.65598 33.38187 
1 1 1  -11   29   30 o  118.453   12.735   41.510   8.1424   39.048   11.277   44.192   11.769  114.679   18.198  122.227   17.819 -7.547775 25.46925 
1 1 1  -11   29   31 o  143.915   11.058   60.281   8.3868   77.050   12.136   44.951   11.603  164.327   13.667  123.502   17.387 40.82452 22.11561 
1 1 1  -11   29   32 o   98.174   15.282   30.946   7.9332   24.702   11.132   37.391   11.309   86.627   23.281  109.721   19.803 -23.09380 30.56379 
1 1 1  -11   29   33 f   59.986   16.440   9.7299   7.6255   8.3587   10.778   11.104   10.790   57.944   23.025   62.028   23.472 -4.083828 32.87982 
1 1 1  -11   29   34 o  144.392   11.205   62.546   8.2118   39.167   11.429   87.497   11.807  113.606   18.617  175.178   12.473 -61.57140 22.40913 
1 1 1  -11   29   35 o   46.607   14.620   0.0090   7.3367  -1.6423   10.106   1.8491   10.668   44.285   19.968   48.929   21.361 -4.644230 29.24056 
1 1 1  -11   29   36 o   81.410   16.540   23.187   7.6713   21.982   10.861   24.388   10.837   79.098   23.611   83.723   23.169 -4.624527 33.07972 
1 1 1  -11   29   37 o   56.012   18.337  -6.6565   10.334   17.912   22.667 -13.1030   11.611   73.472   31.608   38.553   18.599 34.91916 36.67399 
1 1 1  -11   29   38 o  151.076   29.347   83.874   23.094   83.874   23.094   0.0000   0.0000  151.076   29.347  ?   ?       ?      ? 
1 1 1  -11   29   39 o   61.124   27.831   3.9257   20.219   3.9257   20.219   0.0000   0.0000   61.124   27.831  ?   ?       ?      ? 
1 1 1  -11   29   40 o  132.666   13.830   56.442   9.6488   73.041   16.073   47.089   12.065  146.082   20.362  119.251   18.722 26.83097 27.66086 
1 1 1  -11   29   41 o  105.341   15.057   38.785   8.4094   31.339   11.755   46.590   12.035   91.526   23.612  119.155   18.692 -27.62875 30.11488 
1 1 1  -11   29   42 o   72.095   17.164   19.864   8.0114   16.344   11.231   23.510   11.432   66.044   24.144   78.146   24.402 -12.10183 34.32764 
1 1 1  -11   29   43 f   45.551   14.571  -0.5910   7.9918   8.5003   11.566  -8.8980   11.056   53.237   22.731   37.865   18.237 15.37241 29.14264 
1 1 1  -11   30    1 o  183.665   9.6438   92.676   9.5711   0.0000   0.0000   92.676   9.5711  ?   ?   183.665   9.6438      ?      ? 
1 1 1  -11   30    2 o  166.391   10.158   76.202   9.1332   0.0000   0.0000   76.202   9.1332  ?   ?   166.391   10.158      ?      ? 
1 1 1  -11   30    3 o  127.593   19.161   55.512   10.017   58.267   11.002   42.162   24.220  144.266   14.113  110.920   35.630 33.34523 38.32296 
1 1 1  -11   30    4 o  235.550   21.632  162.703   27.533   0.0000   0.0000  162.703   27.533  ?   ?   235.550   21.632      ?      ? 
1 1 1  -11   30    5 o  156.289   10.202   69.141   8.5106   79.781   11.908   58.033   12.167  169.227   13.023  143.351   15.708 25.87619 20.40377 
1 1 1  -11   30    7 o   61.104   15.522   7.9073   7.3300   16.991   10.175  -1.8917   10.568   75.042   22.955   47.165   20.899 27.87777 31.04357 
1 1 1  -11   30    8 o  162.770   14.267   74.295   12.549   0.0000   0.0000   74.295   12.549  ?   ?   162.770   14.267      ?      ? 
1 1 1  -11   30    9 o   96.531   14.923   27.919   7.5128   26.294   9.9436   30.082   11.468   93.572   20.253   99.491   21.923 -5.919563 29.84629 
1 1 1  -11   30   10 f  232.663   10.494  149.310   13.193  149.310   13.193   0.0000   0.0000  232.663   10.494  ?   ?       ?      ? 
1 1 1  -11   30   11 o  175.053   9.2577   85.506   8.7552   83.065   12.275   88.034   12.491  172.477   13.171  177.629   13.013 -5.152206 18.51537 
1 1 1  -11   30   12 o   85.694   15.825   22.107   7.6260   14.802   10.361   30.741   11.265   70.734   23.344  100.654   21.372 -29.92017 31.65005 
1 1 1  -11   30   13 o   62.526   16.412   10.003   7.3680   8.7694   9.9880   11.475   10.913   59.820   22.596   65.232   23.807 -5.411427 32.82304 
1 1 1  -11   30   14 o  113.555   13.400   37.981   8.0252   39.722   11.177   36.129   11.530  117.455   17.610  109.655   20.203 7.800476 26.80084 
1 1 1  -11   30   15 o  114.538   13.043   38.568   7.8585   42.348   11.112   34.786   11.116  121.455   16.931  107.621   19.845 13.83397 26.08583 
1 1 1  -11   30   16 o  120.007   12.203   41.691   7.8636   44.567   10.824   38.477   11.443  124.921   16.035  115.092   18.400 9.828606 24.40650 
1 1 1  -11   30   17 o   68.801   16.569   13.745   7.6412   18.406   10.480   8.4534   11.165   77.052   23.237   60.551   23.625 16.50117 33.13732 
1 1 1  -11   30   18 o  123.146   13.003   44.591   8.1871   32.165   11.221   58.734   11.972  102.671   20.936  143.620   15.426 -40.94935 26.00512 
1 1 1  -11   30   19 o   75.458   16.972   17.537   7.9532   21.915   11.170   13.036   11.327   83.344   23.685   67.572   24.314 15.77207 33.94331 
1 1 1  -11   30   20 o  100.362   14.854   30.878   7.9420   36.354   11.143   25.223   11.323  111.445   18.503   89.279   23.243 22.16611 29.70862 
1 1 1  -11   30   21 o   45.306   14.481  -3.4179   7.5803  -2.2407   10.652  -4.6256   10.789   46.275   20.712   44.337   20.243 1.938164 28.96134 
1 1 1  -11   30   22 o   63.320   16.265   10.884   7.4931   15.757   10.279   5.3570   10.947   71.275   23.238   55.366   22.764 15.90813 32.53017 
1 1 1  -11   30   23 o   56.072   14.995   3.5994   7.1798  -7.2200   9.7202   16.590   10.651   39.471   18.436   72.673   23.653 -33.20205 29.98928 
1 1 1  -11   30   24 o   36.733   12.498 -12.9219   7.2933 -12.0565   10.012 -13.9005   10.646   36.555   17.541   36.910   17.807 -0.3544884 24.99529 
1 1 1  -11   30   25 o   70.966   17.167   15.740   8.0106   18.782   11.263   12.625   11.396   76.162   24.279   65.770   24.277 10.39220 34.33424 
1 1 1  -11   30   26 o   60.260   16.158   8.2494   7.4993   2.3705   9.9747   15.893   11.374   49.489   21.120   71.030   24.461 -21.54061 32.31689 
1 1 1  -11   30   27 o   87.914   16.354   25.096   7.9887   30.259   11.324   19.982   11.271   97.526   22.011   78.301   24.194 19.22486 32.70852 
1 1 1  -11   30   28 o   55.127   15.150   3.3652   7.6165   15.571   10.569  -9.8226   10.986   70.090   23.588   40.164   19.018 29.92554 30.29993 
1 1 1  -11   30   29 o   76.648   16.592   18.882   8.0943   9.8086   11.359   28.244   11.538   60.742   23.793   92.554   23.133 -31.81271 33.18462 
1 1 1  -11   30   30 o  154.202   10.245   68.844   8.5232   66.527   11.666   71.496   12.483  151.606   14.240  156.798   14.733 -5.192657 20.48994 
1 1 1  -11   30   31 o   73.901   17.080   18.163   7.8704   15.983   10.871   20.563   11.409   69.892   23.921   77.909   24.387 -8.016655 34.16028 
1 1 1  -11   30   32 o  118.733   13.266   44.296   8.1925   49.934   11.363   38.192   11.822  129.048   16.295  108.419   20.938 20.62904 26.53156 
1 1 1  -11   30   33 o   59.785   16.591   10.386   7.9216   13.391   11.122   7.2927   11.286   64.017   23.913   55.554   23.004 8.463364 33.18177 
1 1 1  -11   30   34 o   68.039   19.919   13.379   10.508   17.261   22.592   12.307   11.870   72.919   31.462   63.159   24.437 9.760948 39.83792 
1 1 1  -11   30   35 o   80.026   21.689   24.412   13.041   24.572   20.420   24.302   16.946   79.878   31.708   80.173   29.602 -0.2945786 43.37827 
1 1 1  -11   30   36 o   67.260   20.430   11.256   12.964   20.667   21.251   5.6779   16.361   75.142   31.378   59.377   26.172 15.76521 40.86029 
1 1 1  -11   30   37 o   80.215   22.256   30.400   14.089   41.644   21.610   22.088   18.580   89.263   33.335   71.167   29.497 18.09597 44.51197 
1 1 1  -11   30   38 o   45.455   15.016  -2.3774   9.0497   1.9576   10.789 -12.6667   16.622   46.339   20.785   44.571   21.678 1.768013 30.03254 
1 1 1  -11   30   39 o  109.259   16.013   42.816   9.1718   38.018   14.076   46.356   12.091   99.036   25.980  119.481   18.727 -20.44519 32.02553 
1 1 1  -11   30   40 o   59.529   16.744   12.517   8.5970   4.6284   13.156   18.396   11.358   51.319   22.990   67.738   24.350 -16.41882 33.48803 
1 1 1  -11   31    1 o   64.150   14.925   12.172   6.0463   9.4414   9.5151   14.021   7.8304   60.120   22.185   68.181   19.971 -8.060635 29.84986 
1 1 1  -11   31    2 o   55.229   20.264   7.7981   7.9215   0.0000   0.0000   7.7981   7.9215  ?   ?    55.229   20.264      ?      ? 
1 1 1  -11   31    3 o  104.523   16.098   31.213   9.0923   0.0000   0.0000   31.213   9.0923  ?   ?   104.523   16.098      ?      ? 
1 1 1  -11   31    4 o   48.279   15.790  -5.9802   9.1460   0.8345   10.091 -37.3423   21.648   48.738   21.028   47.820   23.561 0.9177094 31.57967 
1 1 1  -11   31    5 o   92.080   19.837   26.964   9.3872   27.142   10.363   26.149   22.154   94.213   20.903   89.947   33.720 4.265671 39.67372 
1 1 1  -11   31    6 o   58.794   15.779   7.6687   7.2871   13.154   9.9511   1.3260   10.701   67.061   22.887   50.527   21.727 16.53323 31.55715 
1 1 1  -11   31    7 o   72.156   16.185   15.626   7.0890   13.227   9.5598   18.557   10.566   66.977   22.434   77.335   23.335 -10.35841 32.37020 
1 1 1  -11   31    8 o   60.720   15.433   7.1549   7.1177  -1.4025   9.4860   18.180   10.767   44.850   19.840   76.590   23.644 -31.74035 30.86548 
1 1 1  -11   31    9 o  135.859   15.390   52.531   11.298   0.0000   0.0000   52.531   11.298  ?   ?   135.859   15.390      ?      ? 
1 1 1  -11   31   10 o   92.176   15.687   26.209   7.6751   24.721   10.228   28.126   11.612   89.503   21.432   94.849   22.913 -5.346062 31.37350 
1 1 1  -11   31   11 o   84.239   14.702   22.569   7.4873   33.168   9.9793   8.9183   11.325  107.184   17.230   61.293   23.827 45.89079 29.40381 
1 1 1  -11   31   12 o  135.716   11.419   53.014   8.3378   57.253   11.647   48.557   11.942  141.748   15.205  129.684   17.041 12.06398 22.83841 
1 1 1  -11   31   13 o   61.068   16.430   9.3786   7.4539   8.5213   9.9303   10.485   11.281   58.786   22.452   63.350   23.994 -4.564041 32.86036 
1 1 1  -11   31   14 o  147.679   10.894   62.620   8.5876   74.463   12.290   51.322   12.004  162.077   14.033  133.280   16.668 28.79654 21.78866 
1 1 1  -11   31   15 o   78.210   16.622   19.522   7.7381   23.134   10.513   15.251   11.431   85.586   22.452   70.834   24.515 14.75189 33.24313 
1 1 1  -11   31   16 o  149.565   10.444   63.668   8.4244   59.075   11.532   68.926   12.337  143.760   14.844  155.370   14.694 -11.61069 20.88737 
1 1 1  -11   31   17 o   65.213   16.688   11.933   7.6042   8.9007   10.319   15.537   11.249   59.443   22.844   70.983   24.333 -11.53946 33.37532 
1 1 1  -11   31   18 o  138.780   11.390   55.403   8.3904   42.800   11.402   70.288   12.391  120.856   17.459  156.704   14.633 -35.84827 22.78077 
1 1 1  -11   31   19 o  122.149   12.683   43.952   8.3641   42.021   11.548   46.083   12.131  119.349   17.905  124.949   17.967 -5.599266 25.36600 
1 1 1  -11   31   20 o   48.907   15.134   0.2802   7.6771   2.9337   10.667  -2.5706   11.057   51.452   21.896   46.362   20.897 5.089748 30.26792 
1 1 1  -11   31   21 o  127.114   12.509   47.883   8.2069   36.559   11.197   61.027   12.064  108.982   19.740  145.245   15.371 -36.26227 25.01880 
1 1 1  -11   31   22 o  117.921   12.827   41.219   8.1712   40.006   11.401   42.499   11.717  116.121   18.170  119.720   18.112 -3.598724 25.65473 
1 1 1  -11   31   23 o   46.094   14.431  -3.1726   7.3760 -10.0486   9.9973   5.0416   10.927   37.789   17.965   54.400   22.590 -16.61076 28.86282 
1 1 1  -11   31   24 o  110.601   14.652   38.457   8.4745   31.185   12.159   45.327   11.818   97.696   23.350  123.507   17.707 -25.81123 29.30480 
1 1 1  -11   31   25 o   51.789   15.230   1.8771   7.7983   11.072   10.561  -9.1450   11.563   61.935   23.270   41.643   19.655 20.29202 30.46013 
1 1 1  -11   31   26 o   77.330   16.541   18.822   8.4076   6.9636   11.695   31.507   12.096   57.115   23.512   97.546   23.272 -40.43149 33.08151 
1 1 1  -11   31   27 o   41.159   19.307  -7.5611   10.856  -7.5611   10.856   0.0000   0.0000   41.159   19.307  ?   ?       ?      ? 
1 1 1  -11   31   28 o   70.502   17.080   16.249   8.3772   8.2093   12.156   23.521   11.561   58.505   24.014   82.500   24.295 -23.99519 34.15991 
1 1 1  -11   31   29 o   84.234   17.066   25.062   8.1666   24.985   11.525   25.140   11.574   84.121   24.111   84.347   24.158 -0.2252274 34.13143 
1 1 1  -11   31   30 o   51.170   15.554   3.3157   7.8559  -0.5692   10.952   7.4324   11.274   46.503   20.894   55.837   23.047 -9.333706 31.10824 
1 1 1  -11   31   31 o   46.351   14.954  -2.5840   8.2759  -1.8373   12.226  -3.2155   11.243   47.814   21.721   44.888   20.558 2.925709 29.90722 
1 1 1  -11   31   32 o   76.869   21.066   15.868   13.616   40.360   21.128  -1.5306   17.807   97.673   33.348   56.064   25.749 41.60928 42.13224 
1 1 1  -11   31   33 o   66.255   19.984   11.131   13.651  -6.6712   22.706   21.207   17.083   57.477   27.252   75.032   29.237 -17.55548 39.96843 
1 1 1  -11   31   34 o   60.936   19.096  -1.4431   13.038   34.279   21.482 -22.2748   16.405   80.941   32.393   40.931   20.231 40.00984 38.19185 
1 1 1  -11   31   35 o   41.008   13.684  -5.1939   7.9220  -3.5391   10.699  -7.2021   11.787   41.395   19.337   40.621   19.366 0.7740517 27.36741 
1 1 1  -11   31   36 o   53.940   15.951   5.7867   8.1373  -1.6517   11.076   14.510   11.995   44.375   20.353   63.505   24.567 -19.13033 31.90293 
1 1 1  -11   31   37 o  130.833   15.874   60.264   10.261   58.019   12.580   64.730   17.739  133.934   17.382  127.732   26.566 6.201057 31.74739 
1 1 1  -11   31   38 o   63.881   17.428   15.772   8.7576   25.135   13.309   8.6219   11.630   74.587   26.406   53.174   22.752 21.41287 34.85581 
1 1 1  -11   32    1 o   87.993   16.394   22.973   7.5083   0.0000   0.0000   22.973   7.5083  ?   ?    87.993   16.394      ?      ? 
1 1 1  -11   32    2 f   64.097   13.589   11.703   6.6031  -6.5901   10.995   22.022   8.2581   43.034   19.931   85.161   18.477 -42.12660 27.17798 
1 1 1  -11   32    3 o   63.400   20.900   12.011   8.3057   0.0000   0.0000   12.011   8.3057  ?   ?    63.400   20.900      ?      ? 
1 1 1  -11   32    4 o  198.580   9.3331  109.002   10.015   0.0000   0.0000  109.002   10.015  ?   ?   198.580   9.3331      ?      ? 
1 1 1  -11   32    5 o   68.605   17.585   14.119   9.2765   20.408   10.400 -10.3604   20.519   80.115   22.885   57.095   26.706 23.02065 35.16988 
1 1 1  -11   32    6 o   77.140   20.023   17.442   9.3657   17.044   10.352   19.241   21.987   73.606   23.256   80.674   32.600 -7.068459 40.04506 
1 1 1  -11   32    7 o   90.532   14.576   24.514   7.8121   9.2314   10.584   42.800   11.578   60.237   23.138  120.827   17.733 -60.58968 29.15228 
1 1 1  -11   32    8 o   86.536   15.149   24.053   7.3216   31.907   10.120   15.425   10.606  102.532   18.963   70.540   23.630 31.99203 30.29852 
1 1 1  -11   32    9 o   56.321   15.886   6.6066   7.3869   3.4400   10.546   9.6569   10.350   52.094   21.950   60.549   22.971 -8.454964 31.77200 
1 1 1  -11   32   10 f  129.946   11.409   48.471   7.9275   39.744   10.707   59.056   11.793  116.647   16.987  143.245   15.236 -26.59753 22.81893 
1 1 1  -11   32   11 o   54.777   15.854   5.0351   7.6084   9.1450   10.831   1.0320   10.690   60.137   23.323   49.418   21.481 10.71896 31.70789 
1 1 1  -11   32   12 o  146.389   10.592   62.028   8.3187   68.426   11.594   55.240   11.942  154.863   13.855  137.914   16.025 16.94925 21.18383 
1 1 1  -11   32   13 o   57.108   16.035   6.3971   7.6887   0.5636   10.752   12.502   10.999   48.908   21.396   65.308   23.890 -16.40086 32.07062 
1 1 1  -11   32   14 o   38.537   12.939 -10.5271   7.3735  -6.3915   9.8188 -15.8754   11.166   40.207   18.695   36.867   17.893 3.339310 25.87828 
1 1 1  -11   32   15 o  167.462   9.8571   79.971   8.9058   76.687   12.185   83.737   13.049  163.900   13.758  171.025   14.119 -7.125107 19.71415 
1 1 1  -11   32   16 o   59.284   15.357   5.5428   7.8597   19.334   10.860  -9.6266   11.390   77.253   23.729   41.315   19.503 35.93798 30.71493 
1 1 1  -11   32   17 o  120.076   13.738   43.518   8.6524   37.083   11.834   50.907   12.682  109.033   20.846  131.119   17.900 -22.08569 27.47643 
1 1 1  -11   32   18 f   64.390   17.085   11.759   8.1556   14.700   11.261   8.5159   11.827   68.800   24.297   59.980   24.025 8.819160 34.16921 
1 1 1  -11   32   19 o   53.046   15.927   3.5952   8.0384   6.4183   11.038   0.4071   11.730   55.948   22.914   50.145   22.128 5.802429 31.85463 
1 1 1  -11   32   20 o   45.293   14.487  -4.6165   7.9846   3.1282   10.904 -13.5721   11.725   51.471   22.026   39.116   18.824 12.35518 28.97447 
1 1 1  -11   32   21 o   98.482   15.734   31.509   8.1999   26.797   11.325   36.703   11.888   89.835   23.176  107.130   21.287 -17.29494 31.46812 
1 1 1  -11   32   22 o   55.789   15.712   4.5408   7.8446  -5.3056   10.927   15.014   11.269   43.119   19.935   68.459   24.292 -25.33950 31.42441 
1 1 1  -11   32   23 o   47.589   15.045  -0.7194   7.9257  -1.3191   11.278  -0.1342   11.140   47.142   21.190   48.037   21.363 -0.8949738 30.08977 
1 1 1  -11   32   24 o   61.513   16.147   9.2307   8.0736   20.537   11.489  -1.8009   11.348   76.672   24.530   46.354   21.006 30.31749 32.29500 
1 1 1  -11   32   25 o   61.185   16.034   9.4383   8.0740   20.807   11.296  -2.4381   11.545   76.578   24.304   45.791   20.920 30.78689 32.06752 
1 1 1  -11   32   26 o   49.157   15.248  -4.1822   8.6395   11.372   12.502 -18.3993   11.953   61.974   24.744   36.340   17.825 25.63372 30.49573 
1 1 1  -11   32   27 o   70.060   14.515   6.4319   8.7652 -21.0342   12.073   37.042   12.746   35.492   17.507  104.629   23.156 -69.13710 29.02943 
1 1 1  -11   32   28 o  103.538   15.875   35.608   9.2712   56.543   13.649   17.677   12.632  135.386   18.657   71.689   25.689 63.69731 31.74942 
1 1 1  -11   32   29 o   69.995   20.894   15.105   13.750   9.3671   20.958   19.441   18.218   66.153   29.366   73.837   29.732 -7.684219 41.78896 
1 1 1  -11   32   30 o   54.455   18.009  -2.2139   13.257  -7.1329   19.975   1.6592   17.724   53.042   25.267   55.867   25.670 -2.824936 36.01864 
1 1 1  -11   32   31 o   49.714   16.893  -5.9684   13.067 -12.7770   21.961  -2.2365   16.259   49.929   24.421   49.498   23.346 0.4306107 33.78511 
1 1 1  -11   32   32 o   73.797   17.717   21.688   8.4386   21.164   12.209   22.167   11.676   72.666   25.325   74.927   24.784 -2.261040 35.43491 
1 1 1  -11   32   33 o   91.286   16.966   31.197   8.5247   28.210   12.313   33.946   11.814   85.533   25.039   97.038   22.900 -11.50555 33.93205 
1 1 1  -11   32   34 o   45.999   14.753  -0.1861   8.1499   6.3444   11.555  -6.6504   11.496   51.567   22.375   40.432   19.234 11.13503 29.50570 
1 1 1  -11   32   35 o   59.274   17.035   13.597   8.6723   16.327   11.750   10.331   12.853   62.987   24.330   55.561   23.849 7.425999 34.06925 
1 1 1  -11   33    1 o   82.655   17.480   20.735   7.5633   0.0000   0.0000   20.735   7.5633  ?   ?    82.655   17.480      ?      ? 
1 1 1  -11   33    2 o  119.893   12.410   40.614   8.0401   0.0000   0.0000   40.614   8.0401  ?   ?   119.893   12.410      ?      ? 
1 1 1  -11   33    3 o   49.610   14.858   1.0146   6.7153   8.3311   11.356  -2.9197   8.3273   59.386   23.623   39.834   18.028 19.55209 29.71602 
1 1 1  -11   33    4 o   67.325   19.908   14.064   7.7484   0.0000   0.0000   14.064   7.7484  ?   ?    67.325   19.908      ?      ? 
1 1 1  -11   33    5 o   69.221   21.443   15.025   8.8474   0.0000   0.0000   15.025   8.8474  ?   ?    69.221   21.443      ?      ? 
1 1 1  -11   33    6 o   75.240   20.473   13.139   9.1982   9.8236   10.060   30.045   22.715   60.172   22.690   90.308   34.085 -30.13611 40.94637 
1 1 1  -11   33    7 o   87.967   20.493   23.174   9.6306   19.836   10.791   36.239   21.349   78.126   23.584   97.807   33.522 -19.68112 40.98677 
1 1 1  -11   33    8 o   61.346   16.033   10.575   7.1187   12.877   9.7424   7.9373   10.427   65.100   22.626   57.591   22.722 7.509037 32.06611 
1 1 1  -11   33    9 o   50.587   15.514   1.7133   7.8196   1.8646   10.547   1.5285   11.653   49.799   21.492   51.374   22.380 -1.575237 31.02807 
1 1 1  -11   33   10 o   53.108   15.704   4.4569   7.5989   6.8144   9.9634   1.1786   11.749   55.153   22.065   51.062   22.351 4.090706 31.40767 
1 1 1  -11   33   11 o   52.951   15.640   3.9529   7.6982   8.5824   10.592  -1.2311   11.208   58.348   22.939   47.553   21.267 10.79556 31.28077 
1 1 1  -11   33   12 o   65.223   16.259   12.913   7.4420   17.710   10.147   7.3289   10.948   73.587   22.992   56.860   22.994 16.72778 32.51723 
1 1 1  -11   33   13 o   81.947   16.446   22.700   7.7716   26.414   10.367   17.935   11.743   90.381   21.533   73.514   24.863 16.86699 32.89139 
1 1 1  -11   33   14 o   53.536   15.592   3.5508   7.9410   11.763   10.740  -6.3541   11.795   63.001   23.506   44.071   20.491 18.93039 31.18345 
1 1 1  -11   33   15 o   62.868   17.146   10.989   8.2245   8.7056   11.033   13.845   12.339   58.675   23.302   67.062   25.160 -8.386532 34.29294 
1 1 1  -11   33   16 o   97.317   15.706   30.383   8.0825   24.574   10.766   37.887   12.235   86.117   22.783  108.517   21.625 -22.39986 31.41151 
1 1 1  -11   33   17 o  108.038   14.682   37.143   8.3479   38.845   11.343   35.131   12.331  112.879   18.596  103.198   22.727 9.681526 29.36493 
1 1 1  -11   33   18 o   52.050   15.615   2.3058   7.8434  -4.0787   10.395   10.747   11.952   42.627   19.613   61.472   24.303 -18.84521 31.23007 
1 1 1  -11   33   19 o   60.375   16.195   9.3404   8.1559   18.793   11.140  -1.5807   11.974   73.341   24.206   47.409   21.521 25.93196 32.38918 
1 1 1  -11   33   20 o   46.694   14.515  -5.3860   8.0861   10.095   11.390 -21.1157   11.481   59.330   23.640   34.059   16.851 25.27163 29.03092 
1 1 1  -11   33   21 o   81.421   15.811   21.314   8.6648   40.278   12.548   4.0267   11.980  110.061   21.869   52.780   22.842 57.28098 31.62243 
1 1 1  -11   33   22 o   74.748   17.562   19.301   8.4662   14.272   11.737   24.756   12.223   66.081   24.589   83.415   25.082 -17.33480 35.12458 
1 1 1  -11   33   23 o   76.264   25.443   20.505   12.296   0.0000   0.0000   20.505   12.296  ?   ?    76.264   25.443      ?      ? 
1 1 1  -11   33   24 o   92.289   24.577   29.708   12.475   0.0000   0.0000   29.708   12.475  ?   ?    92.289   24.577      ?      ? 
1 1 1  -11   33   25 o   50.586   16.465  -2.5029   10.323 -20.5000   20.401   3.6916   11.969   48.871   23.824   52.301   22.732 -3.430355 32.92949 
1 1 1  -11   33   26 o   67.373   20.739   16.545   14.140   15.876   20.207   17.187   19.792   66.884   29.294   67.862   29.364 -0.9781189 41.47721 
1 1 1  -11   33   27 o   70.115   21.252   23.996   14.428   29.324   20.934   19.176   19.913   74.189   31.076   66.041   28.998 8.147926 42.50402 
1 1 1  -11   33   28 o   55.534   18.236  -7.7099   14.029   23.198   20.754 -33.7162   19.037   70.513   30.288   40.555   20.321 29.95872 36.47283 
1 1 1  -11   33   29 o   92.854   15.770   31.301   9.0445   50.226   12.982   13.449   12.608  123.564   19.443   62.144   24.836 61.41945 31.54090 
1 1 1  -11   33   30 o   54.849   17.025   7.1691   9.3406   6.0659   11.576   9.2275   15.812   51.806   22.437   57.892   25.612 -6.085575 34.04979 
1 1 1  -11   33   31 o   50.585   16.385   3.1920   9.8914   0.9723   12.779   6.5090   15.622   47.233   21.737   53.936   24.521 -6.702202 32.76917 
1 1 1  -11   34    1 o   79.540   18.641   19.866   7.8722   0.0000   0.0000   19.866   7.8722  ?   ?    79.540   18.641      ?      ? 
1 1 1  -11   34    2 o  124.958   12.146   44.447   8.2015   0.0000   0.0000   44.447   8.2015  ?   ?   124.958   12.146      ?      ? 
1 1 1  -11   34    3 o  176.006   10.182   86.858   9.6842   0.0000   0.0000   86.858   9.6842  ?   ?   176.006   10.182      ?      ? 
1 1 1  -11   34    4 o  103.332   14.004   32.793   7.3180   35.518   12.431   31.348   9.0528  103.836   22.781  102.829   16.292 1.007027 28.00767 
1 1 1  -11   34    5 o   81.911   19.084   21.217   8.2903   0.0000   0.0000   21.217   8.2903  ?   ?    81.911   19.084      ?      ? 
1 1 1  -11   34    6 o   34.984   16.558  -7.5905   8.3103   0.0000   0.0000  -7.5905   8.3103  ?   ?    34.984   16.558      ?      ? 
1 1 1  -11   34    7 o   64.223   17.641   12.323   9.4565   17.977   10.546 -10.8716   21.361   73.084   23.515   55.362   26.302 17.72201 35.28106 
1 1 1  -11   34    8 o   47.162   16.103  -6.8492   8.6877  -5.3333   9.3487 -16.4459   23.522   39.286   18.259   55.038   26.531 -15.75195 32.20699 
1 1 1  -11   34    9 o   63.250   16.587   10.569   7.9121   3.1593   10.394   20.778   12.201   49.824   21.419   76.677   25.333 -26.85210 33.17404 
1 1 1  -11   34   10 o   59.443   16.430   8.9518   7.7127   4.0054   10.028   16.115   12.068   50.097   21.273   68.789   25.045 -18.69201 32.86022 
1 1 1  -11   34   11 o   89.487   16.864   28.848   8.4914   33.551   11.199   22.485   13.025  100.655   21.256   78.320   26.186 22.33504 33.72750 
1 1 1  -11   34   12 o  112.229   15.026   41.076   8.8657   32.758   12.113   50.674   13.011   97.379   23.326  127.080   18.948 -29.70085 30.05212 
1 1 1  -11   34   13 o   57.800   16.649   8.5617   8.0249   7.0812   10.297   10.852   12.807   54.237   22.163   61.363   24.851 -7.126320 33.29824 
1 1 1  -11   34   14 o   91.437   17.078   29.797   8.5635   31.924   11.052   26.601   13.547   98.054   21.454   84.820   26.577 13.23421 34.15603 
1 1 1  -11   34   15 f   44.748   14.625  -6.7786   8.2014 -13.2169   10.579   2.9213   12.985   36.291   17.567   53.206   23.388 -16.91478 29.25043 
1 1 1  -11   34   16 o   38.915   13.288 -13.6271   8.3024 -15.7904   11.062 -10.8370   12.563   35.954   17.531   41.875   19.973 -5.921387 26.57509 
1 1 1  -11   34   17 o  139.846   12.143   59.122   9.1695   56.316   12.711   62.167   13.241  136.318   17.256  143.373   17.090 -7.055405 24.28660 
1 1 1  -11   34   18 o  122.939   19.049   46.879   12.655   46.879   12.655   0.0000   0.0000  122.939   19.049  ?   ?       ?      ? 
1 1 1  -11   34   19 o   59.310   16.759   7.0855   8.6056  -1.6100   11.494   18.176   12.981   46.651   21.141   71.968   26.010 -25.31725 33.51832 
1 1 1  -11   34   20 o   40.012   13.484  -9.3865   8.0520  -8.5481   10.969 -10.3663   11.858   39.735   18.869   40.290   19.268 -0.5547562 26.96869 
1 1 1  -11   34   21 o   39.646   13.484 -10.5296   8.4769 -12.2861   11.813  -8.6647   12.172   38.258   18.530   41.033   19.595 -2.774239 26.96889 
1 1 1  -11   34   22 o   52.437   25.622 -10.0991   23.988 -10.0991   23.988   0.0000   0.0000   52.437   25.622  ?   ?       ?      ? 
1 1 1  -11   34   23 o   49.831   24.838 -26.8919   26.823 -26.8919   26.823   0.0000   0.0000   49.831   24.838  ?   ?       ?      ? 
1 1 1  -11   34   25 o   38.612   18.880 -16.0113   13.097 -16.0113   13.097   0.0000   0.0000   38.612   18.880  ?   ?       ?      ? 
1 1 1  -11   34   26 o   53.408   16.926   5.5850   10.266   9.5518   13.198  -0.4930   16.336   56.174   24.141   50.642   23.732 5.532352 33.85289 
1 1 1  -11   34   27 o   62.587   18.238   11.376   10.201  -0.3707   12.760   32.185   16.982   46.076   21.386   79.099   29.549 -33.02355 36.47602 
1 1 1  -11   35    1 o  125.945   17.412   48.185   11.850   0.0000   0.0000   48.185   11.850  ?   ?   125.945   17.412      ?      ? 
1 1 1  -11   35    2 f   97.932   24.425   33.232   12.882   0.0000   0.0000   33.232   12.882  ?   ?    97.932   24.425      ?      ? 
1 1 1  -11   35    3 f   80.617   25.966   23.293   12.857   0.0000   0.0000   23.293   12.857  ?   ?    80.617   25.966      ?      ? 
1 1 1  -11   35    4 o   76.738   27.622   21.318   14.620   0.0000   0.0000   21.318   14.620  ?   ?    76.738   27.622      ?      ? 
1 1 1  -11   35    5 o   61.844   17.452   10.350   9.2248   15.800   11.990   2.4459   14.441   68.750   24.975   54.937   24.382 13.81272 34.90306 
1 1 1  -11   35    6 o  164.431   18.520   83.243   16.455   0.0000   0.0000   83.243   16.455  ?   ?   164.431   18.520      ?      ? 
1 1 1  -11   35    7 f   71.140   27.315   17.169   14.747   0.0000   0.0000   17.169   14.747  ?   ?    71.140   27.315      ?      ? 
1 1 1  -11   35    8 o  133.181   20.432   56.104   14.704   56.104   14.704   0.0000   0.0000  133.181   20.432  ?   ?       ?      ? 
1 1 1  -11   35    9 o   74.380   25.260   19.399   12.122   19.399   12.122   0.0000   0.0000   74.380   25.260  ?   ?       ?      ? 
1 1 1  -11   35   10 o   59.784   16.723   8.6341   8.9565   17.266   11.543  -4.4257   14.198   70.724   24.626   48.843   22.632 21.88080 33.44573 
1 1 1  -11   35   11 o   47.416   15.659  -7.5372   9.7561 -14.2838   12.696   2.1901   15.245   39.842   19.276   54.990   24.684 -15.14793 31.31831 
1 1 1  -11   35   12 o   73.376   19.022   17.684   10.527   6.3423   13.924   32.815   16.082   56.665   24.574   90.087   29.043 -33.42205 38.04428 
1 1 1  -11   35   13 o   62.561   18.366   10.236   9.9760   3.3198   12.423   22.793   16.739   51.152   22.663   73.969   28.908 -22.81645 36.73251 
1 1 1  -11   35   14 o   50.534   16.301   1.9336   9.7236   3.7635   12.159  -1.3124   16.195   50.302   22.347   50.767   23.740 -0.4654160 32.60270 
1 1 1  -11   35   15 o   60.747   17.891   7.5816   9.9554  -4.1824   12.352   29.392   16.818   43.490   20.462   78.004   29.353 -34.51434 35.78143 
1 1 1  -11   35   16 o   61.223   17.119   12.865   9.8246   23.288   12.429  -4.4932   16.040   74.560   25.577   47.886   22.763 26.67447 34.23884 
1 1 1  -11   35   17 o   64.096   17.720   14.107   10.316   25.608   13.418  -2.5180   16.133   78.300   26.577   49.891   23.445 28.40927 35.44068 
1 1 1  -11   35   22 o   47.490   15.750  -1.0235   10.244   2.9977   12.768  -8.2883   17.162   48.692   22.150   46.287   22.398 2.404419 31.50049 
1 1 1  -11   36    1 o   69.847   20.433   17.279   8.2017   0.0000   0.0000   17.279   8.2017  ?   ?    69.847   20.433      ?      ? 
1 1 1  -11   36    2 o   31.763   15.287  -8.3987   7.7336   0.0000   0.0000  -8.3987   7.7336  ?   ?    31.763   15.287      ?      ? 
1 1 1  -11   36    3 o   46.235   19.555   4.2965   8.4203   0.0000   0.0000   4.2965   8.4203  ?   ?    46.235   19.555      ?      ? 
1 1 1  -11   36    4 o   35.579   16.793  -5.7354   8.4395   0.0000   0.0000  -5.7354   8.4395  ?   ?    35.579   16.793      ?      ? 
1 1 1  -11   36    5 o   31.721   15.419 -10.9221   8.3746   0.0000   0.0000 -10.9221   8.3746  ?   ?    31.721   15.419      ?      ? 
1 1 1  -11   36    6 o   42.363   13.612  -0.8750   6.7479  -3.6036   10.851   0.8458   8.6168   42.254   19.649   42.473   18.843 -0.2194481 27.22391 
1 1 1  -11   36    7 o   34.058   16.277  -7.8541   8.4328   0.0000   0.0000  -7.8541   8.4328  ?   ?    34.058   16.277      ?      ? 
1 1 1  -11   36    8 o   31.456   15.422 -13.6790   8.9117   0.0000   0.0000 -13.6790   8.9117  ?   ?    31.456   15.422      ?      ? 
1 1 1  -11   36    9 o   66.666   19.523   14.514   9.2131   12.851   9.9859   24.032   23.886   60.880   22.675   72.453   31.788 -11.57340 39.04638 
1 1 1  -11   36   10 o   52.901   17.538  -4.1297   9.6818  -9.7315   10.834   18.081   21.573   37.913   18.207   67.889   29.981 -29.97611 35.07652 
1 1 1  -11   36   11 o   62.210   17.121   13.710   8.2520   11.101   11.051   16.999   12.407   58.018   23.228   66.402   25.160 -8.384892 34.24262 
1 1 1  -11   36   12 o   37.421   12.825 -11.9447   7.8405 -16.3162   10.349  -6.0559   12.012   32.934   16.239   41.908   19.856 -8.974125 25.65095 
1 1 1  -11   36   13 o   51.423   17.541  -5.6744   11.129   15.829   24.070 -11.5212   12.551   63.651   29.484   39.196   19.011 24.45515 35.08152 
1 1 1  -11   36   14 o   55.881   18.899   2.1257   15.868   10.376   24.291  -4.0158   20.957   59.977   28.364   51.785   24.983 8.192112 37.79767 
1 1 1  -11   36   15 o   56.547   18.955   5.7793   15.666  -0.7218   23.827   10.730   20.792   54.453   26.360   58.640   27.246 -4.187218 37.91014 
1 1 1  -10    0    1 o  123.165   3.1500   41.148   2.9561   41.148   2.9561   41.148   2.9561  123.165   4.4548  123.165   4.4548 0.000000 0.000000 
1 1 1  -10    0    2 o  613.875   7.5992  1019.33   35.625  1019.33   35.625  1019.33   35.625  613.875   10.747  613.875   10.747 0.000000 0.000000 
1 1 1  -10    0    3 o  859.689   10.386  1999.43   68.186  1999.43   68.186  1999.43   68.186  859.689   14.688  859.689   14.688 0.000000 0.000000 
1 1 1  -10    0    4 o  177.920   3.3717   85.716   4.5769   85.716   4.5769   85.716   4.5769  177.920   4.7683  177.920   4.7683 0.000000 0.000000 
1 1 1  -10    0    5 o  1014.86   12.174  2786.84   94.355  2786.84   94.355  2786.84   94.355  1014.86   17.217  1014.86   17.217 0.000000 0.000000 
1 1 1  -10    0    6 o  1658.85   19.679  7453.77  249.315  7453.77  249.315  7453.77  249.315  1658.85   27.831  1658.85   27.831 0.000000 0.000000 
1 1 1  -10    0    7 o  742.557   9.0579  1491.66   51.365  1491.66   51.365  1491.66   51.365  742.557   12.810  742.557   12.810 0.000000 0.000000 
1 1 1  -10    0    8 o  528.963   6.6857  756.864   27.006  756.864   27.006  756.864   27.006  528.963   9.4550  528.963   9.4550 0.000000 0.000000 
1 1 1  -10    0    9 o  928.738   11.185  2333.98   79.328  2333.98   79.328  2333.98   79.328  928.738   15.817  928.738   15.817 0.000000 0.000000 
1 1 1  -10    0   10 o  179.732   3.5618   87.490   4.8835   87.490   4.8835   87.490   4.8835  179.732   5.0372  179.732   5.0372 0.000000 0.000000 
1 1 1  -10    0   11 o  1124.24   13.454  3421.13  115.514  3421.13  115.514  3421.13  115.514  1124.24   19.027  1124.24   19.027 0.000000 0.000000 
1 1 1  -10    0   12 o  486.522   6.2560  640.314   23.242  640.314   23.242  640.314   23.242  486.522   8.8473  486.522   8.8473 0.000000 0.000000 
1 1 1  -10    0   13 o  119.409   3.8089   38.763   3.4595   38.763   3.4595   38.763   3.4595  119.409   5.3865  119.409   5.3865 0.000000 0.000000 
1 1 1  -10    0   14 o  504.775   6.4672  689.366   24.928  689.366   24.928  689.366   24.928  504.775   9.1459  504.775   9.1459 0.000000 0.000000 
1 1 1  -10    0   15 o  174.254   3.7882   82.284   5.0337   82.284   5.0337   82.284   5.0337  174.254   5.3573  174.254   5.3573 0.000000 0.000000 
1 1 1  -10    0   16 o  802.823   9.7848  1744.77   59.990  1744.77   59.990  1744.77   59.990  802.823   13.838  802.823   13.838 0.000000 0.000000 
1 1 1  -10    0   17 o  1087.34   13.057  3203.33  108.420  3203.33  108.420  3203.33  108.420  1087.34   18.465  1087.34   18.465 0.000000 0.000000 
1 1 1  -10    0   18 o  445.339   5.8847  536.628   20.011  536.628   20.011  536.628   20.011  445.339   8.3222  445.339   8.3222 0.000000 0.000000 
1 1 1  -10    0   21 o   55.877   12.915   10.768   4.8856   10.768   4.8856   10.768   4.8856   55.877   18.265   55.877   18.265 0.000000 0.000000 
1 1 1  -10    0   22 o  660.394   8.2147  1180.59   41.428  1180.59   41.428  1180.59   41.428  660.394   11.617  660.394   11.617 0.000000 0.000000 
1 1 1  -10    0   23 o  244.820   4.2670  162.274   7.9722  162.274   7.9722  162.274   7.9722  244.820   6.0345  244.820   6.0345 0.000000 0.000000 
1 1 1  -10    0   24 o  518.766   6.6990  728.268   26.537  728.268   26.537  728.268   26.537  518.766   9.4738  518.766   9.4738 0.000000 0.000000 
1 1 1  -10    0   25 o  1165.86   13.988  3684.52  124.540  3684.52  124.540  3684.52  124.540  1165.86   19.781  1165.86   19.781 0.000000 0.000000 
1 1 1  -10    0   26 o  250.678   4.3781  170.128   8.3755  170.128   8.3755  170.128   8.3755  250.678   6.1916  250.678   6.1916 0.000000 0.000000 
1 1 1  -10    0   27 o   80.940   6.8658   18.460   4.0851   18.460   4.0851   18.460   4.0851   80.940   9.7098   80.940   9.7098 0.000000 0.000000 
1 1 1  -10    0   28 o  123.611   4.9488   41.689   4.6405   41.689   4.6405   41.689   4.6405  123.611   6.9987  123.611   6.9987 0.000000 0.000000 
1 1 1  -10    0   29 o  369.320   5.3260  369.071   15.017  369.071   15.017  369.071   15.017  369.320   7.5320  369.320   7.5320 0.000000 0.000000 
1 1 1  -10    0   30 o  133.329   5.4901   48.527   5.5504   48.527   5.5504   48.527   5.5504  133.329   7.7641  133.329   7.7641 0.000000 0.000000 
1 1 1  -10    0   31 o  632.058   7.9964  1080.97   38.596  1080.97   38.596  1080.97   38.596  632.058   11.309  632.058   11.309 0.000000 0.000000 
1 1 1  -10    0   32 o  490.953   6.5619  652.176   24.599  652.176   24.599  652.176   24.599  490.953   9.2800  490.953   9.2800 0.000000 0.000000 
1 1 1  -10    0   33 f  368.322   5.5188  367.124   15.518  367.124   15.518  367.124   15.518  368.322   7.8048  368.322   7.8048 0.000000 0.000000 
1 1 1  -10    0   34 o  2459.43   29.267 16483.87  549.710 16483.87  549.710 16483.87  549.710  2459.43   41.389  2459.43   41.389 0.000000 0.000000 
1 1 1  -10    0   35 o  111.713   8.1628   34.808   6.7981   34.808   6.7981   34.808   6.7981  111.713   11.544  111.713   11.544 0.000000 0.000000 
1 1 1  -10    0   36 o  856.385   10.509  1985.89   68.730  1985.89   68.730  1985.89   68.730  856.385   14.862  856.385   14.862 0.000000 0.000000 
1 1 1  -10    0   38 o  275.980   5.7821  206.411   12.170  206.411   12.170  206.411   12.170  275.980   8.1772  275.980   8.1772 0.000000 0.000000 
1 1 1  -10    0   39 o  1284.03   15.454  4473.13  151.544  4473.13  151.544  4473.13  151.544  1284.03   21.855  1284.03   21.855 0.000000 0.000000 
1 1 1  -10    0   40 o  737.127   9.2524  1471.25   52.082  1471.25   52.082  1471.25   52.082  737.127   13.085  737.127   13.085 0.000000 0.000000 
1 1 1  -10    0   41 o  1484.50   17.792  5992.93  201.707  5992.93  201.707  5992.93  201.707  1484.50   25.161  1484.50   25.161 0.000000 0.000000 
1 1 1  -10    0   42 o  830.971   10.295  1871.04   65.332  1871.04   65.332  1871.04   65.332  830.971   14.560  830.971   14.560 0.000000 0.000000 
1 1 1  -10    0   43 o  701.722   8.8671  1334.21   47.516  1334.21   47.516  1334.21   47.516  701.722   12.540  701.722   12.540 0.000000 0.000000 
1 1 1  -10    0   44 o  324.796   5.7552  285.812   14.264  285.812   14.264  285.812   14.264  324.796   8.1390  324.796   8.1390 0.000000 0.000000 
1 1 1  -10    0   45 o   44.961   16.475   8.0288   7.3134   8.0288   7.3134   8.0288   7.3134   44.961   23.299   44.961   23.299 0.000000 0.000000 
1 1 1  -10    0   46 o  406.026   6.1072  446.633   18.930  446.633   18.930  446.633   18.930  406.026   8.6369  406.026   8.6369 0.000000 0.000000 
1 1 1  -10    0   47 o  111.617   9.5231   35.226   7.8093   35.226   7.8093   35.226   7.8093  111.617   13.468  111.617   13.468 0.000000 0.000000 
1 1 1  -10    0   50 o  140.420   10.456   55.383   10.935   55.383   10.935   55.383   10.935  140.420   14.787  140.420   14.787 0.000000 0.000000 
1 1 1  -10    0   51 o  106.411   9.8187   32.326   7.6083   32.326   7.6083   32.326   7.6083  106.411   13.886  106.411   13.886 0.000000 0.000000 
1 1 1  -10    0   52 o   55.000   16.302   11.732   6.8784   11.732   6.8784   11.732   6.8784   55.000   23.054   55.000   23.054 0.000000 0.000000 
1 1 1  -10    0   53 o  256.976   5.6246  179.492   11.022  179.492   11.022  179.492   11.022  256.976   7.9543  256.976   7.9543 0.000000 0.000000 
1 1 1  -10    0   54 f  172.136   6.5890   81.150   8.6095   81.150   8.6095   81.150   8.6095  172.136   9.3183  172.136   9.3183 0.000000 0.000000 
1 1 1  -10    0   55 o   27.546   12.876  -1.4092   7.0487  -1.4092   7.0487  -1.4092   7.0487   27.546   18.210   27.546   18.210 0.000000 0.000000 
1 1 1  -10    0   56 o  379.996   5.9930  392.776   17.384  392.776   17.384  392.776   17.384  379.996   8.4754  379.996   8.4754 0.000000 0.000000 
1 1 1  -10    0   57 o   32.191   14.071   2.3497   6.8296   2.3497   6.8296   2.3497   6.8296   32.191   19.899   32.191   19.899 0.000000 0.000000 
1 1 1  -10    0   58 o   45.576   16.589   8.6736   7.3816   8.6736   7.3816   8.6736   7.3816   45.576   23.460   45.576   23.460 0.000000 0.000000 
1 1 1  -10    0   59 o  136.378   7.8037   51.881   8.0104   51.881   8.0104   51.881   8.0104  136.378   11.036  136.378   11.036 0.000000 0.000000 
1 1 1  -10    0   60 o   30.917   14.055   0.6827   7.5989   0.6827   7.5989   0.6827   7.5989   30.917   19.876   30.917   19.876 0.000000 0.000000 
1 1 1  -10    0   61 o  106.019   16.766   36.261   11.863   36.261   11.863   36.261   11.863  106.019   23.711  106.019   23.711 0.000000 0.000000 
1 1 1  -10    0   62 o   60.394   20.453   16.068   10.863   16.068   10.863   16.068   10.863   60.394   28.925   60.394   28.925 0.000000 0.000000 
1 1 1  -10    0   63 f  239.723   6.1830  157.648   11.293  157.648   11.293  157.648   11.293  239.723   8.7441  239.723   8.7441 0.000000 0.000000 
1 1 1  -10    0   64 o  133.699   8.6055   50.685   8.6249   50.685   8.6249   50.685   8.6249  133.699   12.170  133.699   12.170 0.000000 0.000000 
1 1 1  -10    0   65 f  145.121   8.6279   59.703   9.4128   59.703   9.4128   59.703   9.4128  145.121   12.202  145.121   12.202 0.000000 0.000000 
1 1 1  -10    0   66 f  360.930   6.3296  358.707   17.434  358.707   17.434  358.707   17.434  360.930   8.9513  360.930   8.9513 0.000000 0.000000 
1 1 1  -10    0   67 o   28.608   13.720  -3.2661   8.9790  -3.2661   8.9790  -3.2661   8.9790   28.608   19.403   28.608   19.403 0.000000 0.000000 
1 1 1  -10    0   68 o  147.624   8.9915   63.276   9.9705   63.276   9.9705   63.276   9.9705  147.624   12.716  147.624   12.716 0.000000 0.000000 
1 1 1  -10    0   69 o   42.660   17.481   8.3230   9.2964   8.3230   9.2964   8.3230   9.2964   42.660   24.721   42.660   24.721 0.000000 0.000000 
1 1 1  -10    1    1 o  147.194   4.5352   58.543   3.6073   0.0000   0.0000   58.543   3.6073  ?   ?   147.194   4.5352      ?      ? 
1 1 1  -10    1    2 o  235.161   3.7365  149.411   4.7477  146.876   6.6762  152.004   6.7530  233.143   5.2993  237.178   5.2691 -4.034897 7.473014 
1 1 1  -10    1    3 o  221.092   3.6314  131.981   4.3364  135.348   6.2520  128.859   6.0197  223.807   5.1696  218.377   5.1013 5.429916 7.262823 
1 1 1  -10    1    4 o  308.496   4.3938  256.161   7.3075  242.704   9.9295  272.062   10.793  299.692   6.1314  317.299   6.2949 -17.60699 8.787508 
1 1 1  -10    1    5 o  1227.56   14.626  4078.76   97.016  4066.51  136.783  4091.16  137.624  1225.70   20.652  1229.41   20.716 -3.702881 29.25175 
1 1 1  -10    1    6 o  817.654   9.9033  1807.61   43.750  1789.82   61.275  1826.10   62.488  813.555   13.938  821.753   14.072 -8.197571 19.80668 
1 1 1  -10    1    7 f  927.897   11.170  2328.93   56.007  2320.14   78.925  2337.84   79.491  926.136   15.771  929.658   15.824 -3.521851 22.34056 
1 1 1  -10    1    8 o   90.435   3.7834   22.150   1.8446   20.793   2.6389   23.447   2.5795   87.719   5.5673   93.150   5.1246 -5.430962 7.566782 
1 1 1  -10    1    9 o  316.839   4.5309  271.272   7.7571  269.333   10.922  273.245   11.019  315.697   6.4022  317.981   6.4131 -2.284515 9.061750 
1 1 1  -10    1   10 f  532.830   6.7340  767.352   19.387  761.370   27.219  773.513   27.621  530.723   9.4912  534.937   9.5553 -4.213684 13.46795 
1 1 1  -10    1   11 o  543.931   6.8636  799.705   20.172  793.870   28.344  805.694   28.716  541.922   9.6790  545.941   9.7341 -4.019104 13.72717 
1 1 1  -10    1   12 o  200.559   3.7057  108.684   4.0158  106.740   5.6482  110.671   5.7106  198.746   5.2593  202.372   5.2221 -3.626709 7.411480 
1 1 1  -10    1   13 o  480.897   6.2057  625.170   16.126  621.586   22.706  628.817   22.906  479.507   8.7630  482.288   8.7893 -2.780182 12.41133 
1 1 1  -10    1   14 o  999.530   12.031  2705.25   64.951  2753.68   93.569  2660.21   90.230  1008.13   17.176  990.926   16.851 17.20679 24.06193 
1 1 1  -10    1   15 o  757.284   9.2619  1552.09   37.897  1539.68   53.167  1564.91   54.033  754.212   13.045  760.356   13.151 -6.143860 18.52375 
1 1 1  -10    1   16 o  915.849   11.075  2272.14   54.807  2256.50   76.973  2288.21   78.057  912.662   15.608  919.035   15.718 -6.373535 22.15055 
1 1 1  -10    1   17 o  277.506   4.3109  207.943   6.4610  201.258   8.9648  215.169   9.3200  272.870   6.0799  282.142   6.1131 -9.272827 8.621766 
1 1 1  -10    1   18 o  241.212   4.0965  157.261   5.3394  156.570   7.5287  157.960   7.5736  240.679   5.7888  241.745   5.7977 -1.066162 8.192902 
1 1 1  -10    1   21 o  671.387   11.815  1222.72   42.864  1218.24   60.423  1227.25   60.818  670.154   16.686  672.620   16.733 -2.465820 23.63049 
1 1 1  -10    1   22 f  506.662   6.5517  694.447   17.937  696.130   25.428  692.779   25.307  507.273   9.2766  506.052   9.2545 1.220642 13.10344 
1 1 1  -10    1   23 o  505.291   6.5402  690.570   17.856  696.187   25.425  685.103   25.084  507.317   9.2747  503.266   9.2237 4.051758 13.08041 
1 1 1  -10    1   24 o  599.109   7.5535  970.335   24.437  994.132   35.361  948.581   33.809  606.123   10.796  592.094   10.567 14.03003 15.10695 
1 1 1  -10    1   25 o  571.760   7.2647  883.927   22.436  868.124   31.204  900.841   32.283  566.478   10.194  577.042   10.353 -10.56390 14.52941 
1 1 1  -10    1   26 o  925.280   11.215  2319.39   56.072  2331.05   79.669  2307.95   78.931  927.579   15.895  922.981   15.826 4.597900 22.42979 
1 1 1  -10    1   27 o  505.308   6.5847  690.489   17.980  691.914   25.449  689.068   25.405  505.829   9.3107  504.787   9.3138 1.041382 13.16947 
1 1 1  -10    1   28 o  314.873   4.8748  267.609   8.2867  276.800   12.038  259.331   11.425  320.002   6.9615  309.743   6.8258 10.25943 9.749574 
1 1 1  -10    1   29 o  484.751   6.4143  635.200   16.800  627.833   23.521  642.872   24.003  481.884   9.0329  487.618   9.1094 -5.734802 12.82868 
1 1 1  -10    1   30 o  828.443   10.129  1857.07   45.339  1842.67   63.614  1871.94   64.637  825.185   14.266  831.702   14.382 -6.516418 20.25784 
1 1 1  -10    1   31 o  1301.42   15.583  4593.69  109.576  4560.57  153.776  4627.86  156.180  1296.67   21.947  1306.16   22.128 -9.489014 31.16589 
1 1 1  -10    1   32 o  142.847   5.5489   55.170   4.2824   55.943   6.0319   54.385   6.0809  143.856   7.7596  141.837   7.9340 2.019073 11.09776 
1 1 1  -10    1   33 o  596.363   7.6288  961.587   24.578  974.578   35.243  949.286   34.293  600.279   10.865  592.447   10.712 7.831787 15.25764 
1 1 1  -10    1   34 o  1397.95   16.725  5307.04  126.338  5293.27  178.154  5320.97  179.189  1396.14   23.614  1399.77   23.690 -3.626343 33.44944 
1 1 1  -10    1   35 o  715.179   8.9334  1384.20   34.524  1381.60   48.777  1386.82   48.872  714.506   12.633  715.853   12.634 -1.347412 17.86688 
1 1 1  -10    1   36 o  700.698   8.7918  1328.96   33.288  1331.87   47.206  1326.09   46.948  701.458   12.454  699.938   12.413 1.519348 17.58351 
1 1 1  -10    1   37 o  822.389   10.153  1831.77   45.117  1838.01   64.008  1825.61   63.605  823.778   14.379  821.000   14.337 2.778015 20.30556 
1 1 1  -10    1   38 o  529.054   7.1254  754.493   20.317  721.902   27.550  793.349   30.082  516.588   9.8694  541.520   10.280 -24.93243 14.25089 
1 1 1  -10    1   39 o  203.377   6.4252  111.946   7.0571  115.102   9.9147  108.704   10.047  206.289   8.8944  200.465   9.2749 5.824295 12.85048 
1 1 1  -10    1   40 o  248.892   5.8747  167.150   7.8919  158.306   10.864  177.032   11.483  241.937   8.3099  255.847   8.3062 -13.91005 11.74935 
1 1 1  -10    1   41 o  304.260   5.7673  250.299   9.4798  256.003   13.593  244.897   13.227  307.633   8.1769  300.888   8.1355 6.745422 11.53465 
1 1 1  -10    1   42 o  279.397   5.6883  211.027   8.5841  215.708   12.367  206.674   11.925  282.383   8.1046  276.411   7.9838 5.971588 11.37655 
1 1 1  -10    1   43 o  499.142   6.8781  674.688   18.552  674.961   26.246  674.415   26.226  499.243   9.7290  499.041   9.7253 0.2014771 13.75622 
1 1 1  -10    1   44 o  554.026   7.3770  830.727   22.062  853.428   32.083  810.359   30.388  561.175   10.580  546.877   10.283 14.29779 14.75400 
1 1 1  -10    1   45 o  399.551   6.0788  432.194   13.123  439.874   18.719  424.771   18.403  403.041   8.5949  396.061   8.5987 6.980011 12.15765 
1 1 1  -10    1   46 o  734.674   9.2547  1467.58   36.740  1463.32   51.787  1471.90   52.131  733.608   13.064  735.739   13.112 -2.131226 18.50945 
1 1 1  -10    1   47 o  189.635   7.5571   95.696   7.2319  103.063   12.978   92.378   8.7097  194.668   12.337  184.603   8.7312 10.06535 15.11416 
1 1 1  -10    1   50 o  207.276   7.3554  112.354   7.7457  130.158   13.919  104.367   9.3226  218.504   11.788  196.049   8.8000 22.45491 14.71075 
1 1 1  -10    1   51 o   98.239   10.154   27.369   5.1369   21.946   7.4801   32.209   7.0669   87.895   16.351  108.583   12.044 -20.68748 20.30799 
1 1 1  -10    1   52 f  312.382   5.5754  264.878   9.4062  256.577   13.045  273.867   13.576  307.296   7.8560  317.468   7.9135 -10.17175 11.15080 
1 1 1  -10    1   53 o  206.757   5.9087  115.763   6.5688  100.578   8.9889  133.165   9.6228  192.222   8.6540  221.292   8.0472 -29.06970 11.81735 
1 1 1  -10    1   54 o   33.264   10.844  -7.8854   4.7864  -0.2494   6.9832 -14.6514   6.5734   40.688   17.524   25.841   12.779 14.84716 21.68836 
1 1 1  -10    1   55 f  202.058   6.0158  111.427   6.5593  118.942   9.3293  104.082   9.2241  208.852   8.2665  195.265   8.7421 13.58720 12.03159 
1 1 1  -10    1   56 o  260.969   5.6985  185.708   8.0325  178.165   11.256  193.536   11.466  255.542   8.1515  266.396   7.9653 -10.85428 11.39704 
1 1 1  -10    1   57 o   91.035   11.301   24.285   5.2894   16.922   7.4981   31.579   7.4628   75.502   18.519  106.567   12.959 -31.06540 22.60295 
1 1 1  -10    1   58 o  139.868   7.6710   53.934   5.7557   63.148   8.3573   45.621   7.9383  151.383   10.216  128.353   11.445 23.03017 15.34193 
1 1 1  -10    1   59 o   59.431   12.484   9.1238   4.9745   17.718   7.1675   1.1366   6.9096   77.028   17.604   41.834   17.705 35.19437 24.96736 
1 1 1  -10    1   60 o   40.265   13.003  -3.8173   6.0230  -3.0713   7.4233  -5.2545   10.304   37.662   17.035   42.868   19.651 -5.206497 26.00686 
1 1 1  -10    1   61 o   27.536   13.535 -13.4616   7.0077   0.0000   0.0000 -13.4616   7.0077  ?   ?    27.536   13.535      ?      ? 
1 1 1  -10    1   62 o  297.819   8.3561  244.557   13.448   0.0000   0.0000  244.557   13.448  ?   ?   297.819   8.3561      ?      ? 
1 1 1  -10    1   63 o  157.956   8.6866   70.492   7.1854   70.628   9.1253   70.270   11.657  159.019   10.620  156.893   13.750 2.126282 17.37318 
1 1 1  -10    1   64 o   88.043   12.553   23.729   5.8911   34.919   8.6299   13.964   8.0618  109.700   14.558   66.387   20.453 43.31333 25.10553 
1 1 1  -10    1   65 o  152.844   7.9939   66.423   6.5863   61.883   9.3692   70.858   9.2608  147.366   11.766  158.321   10.825 -10.95525 15.98771 
1 1 1  -10    1   66 o   57.184   14.236   8.7572   6.0242   1.5563   8.3988   16.387   8.6455   44.192   19.125   70.176   21.093 -25.98377 28.47231 
1 1 1  -10    1   67 o  214.075   6.9570  128.911   8.0363  126.797   11.616  130.852   11.130  212.137   10.133  216.012   9.5349 -3.875259 13.91393 
1 1 1  -10    1   68 o  202.484   7.1393  118.453   7.8077  115.976   11.124  120.858   10.961  200.150   10.286  204.818   9.9036 -4.668747 14.27855 
1 1 1  -10    1   69 o  235.166   6.5615  157.104   8.3346  153.629   11.856  160.500   11.720  232.393   9.4408  237.939   9.1150 -5.545441 13.12299 
1 1 1  -10    2    1 f  1026.95   12.304  2853.00   68.276  2846.18   96.315  2859.89   96.800  1025.72   17.377  1028.18   17.423 -2.464600 24.60728 
1 1 1  -10    2    2 o  724.381   8.8489  1418.13   34.628  1397.77   48.279  1439.70   49.693  719.032   12.426  729.730   12.602 -10.69824 17.69789 
1 1 1  -10    2    3 o  1249.95   14.895  4227.66  100.574  4167.96  140.184  4290.98  144.375  1240.88   20.906  1259.02   21.221 -18.14429 29.78968 
1 1 1  -10    2    4 o  825.315   9.9905  1841.08   44.539  1811.89   61.986  1872.24   64.038  818.560   14.014  832.069   14.243 -13.50818 19.98101 
1 1 1  -10    2    5 o  895.004   10.795  2166.25   52.203  2147.71   73.200  2185.44   74.467  891.112   15.202  898.897   15.331 -7.784729 21.58999 
1 1 1  -10    2    6 o  1968.31   23.355 10521.10  248.402 10523.56  351.480 10518.64  351.107  1968.54   33.042  1968.09   33.015 0.4511719 46.70926 
1 1 1  -10    2    7 o  177.419   3.4875   85.031   3.3429   86.307   4.7857   83.815   4.6714  178.718   4.9555  176.120   4.9085 2.598099 6.975021 
1 1 1  -10    2    8 o  809.150   9.8185  1770.22   42.921  1749.19   59.979  1792.30   61.447  804.230   13.802  814.070   13.969 -9.840454 19.63692 
1 1 1  -10    2    9 o  1201.19   14.341  3906.42   93.079  3887.61  130.984  3925.61  132.294  1198.27   20.229  1204.10   20.332 -5.828857 28.68143 
1 1 1  -10    2   10 o  756.580   9.2253  1547.93   37.716  1544.41   53.224  1551.48   53.453  755.716   13.033  757.444   13.060 -1.727539 18.45066 
1 1 1  -10    2   11 o  905.308   10.923  2217.35   53.432  2220.38   75.695  2214.34   75.435  905.922   15.463  904.694   15.431 1.228943 21.84503 
1 1 1  -10    2   12 o  691.364   8.5021  1292.55   31.761  1282.95   44.592  1302.44   45.247  688.761   11.981  693.968   12.066 -5.206116 17.00416 
1 1 1  -10    2   13 o  1004.19   12.074  2730.59   65.502  2762.35   93.753  2700.31   91.554  1009.87   17.180  998.499   16.968 11.37488 24.14722 
1 1 1  -10    2   14 o  652.864   8.0864  1153.12   28.527  1155.60   40.441  1150.67   40.248  653.562   11.451  652.167   11.421 1.395264 16.17284 
1 1 1  -10    2   15 o  760.983   9.3072  1567.50   38.272  1562.82   53.972  1572.24   54.278  759.842   13.145  762.125   13.180 -2.282776 18.61439 
1 1 1  -10    2   16 o  812.370   9.8904  1785.87   43.396  1754.07   60.265  1820.12   62.541  804.879   13.856  819.860   14.117 -14.98090 19.78086 
1 1 1  -10    2   17 f  801.794   9.7768  1740.78   42.359  1744.72   60.053  1736.86   59.757  802.697   13.845  800.892   13.808 1.805359 19.55360 
1 1 1  -10    2   18 o  844.550   14.558  1936.36   66.420  1965.54   95.286  1908.78   92.634  850.707   20.728  838.393   20.447 12.31372 29.11618 
1 1 1  -10    2   21 o  726.385   10.936  1444.22   41.133  1381.53   68.011  1480.38   51.649  713.458   17.641  739.313   12.928 -25.85522 21.87124 
1 1 1  -10    2   22 o  115.623   4.6471   36.176   2.9006   35.052   4.1507   37.249   4.0551  113.864   6.7461  117.381   6.3932 -3.517433 9.294235 
1 1 1  -10    2   23 o  643.099   8.0293  1119.30   27.901  1113.08   39.256  1125.64   39.664  641.297   11.328  644.901   11.382 -3.603760 16.05851 
1 1 1  -10    2   24 o  260.851   4.4035  183.838   6.2051  187.905   8.9097  180.007   8.6468  263.651   6.2538  258.052   6.2010 5.598969 8.806936 
1 1 1  -10    2   25 o  538.905   6.9150  785.531   20.136  781.196   28.348  789.947   28.609  537.406   9.7617  540.405   9.7969 -2.999573 13.83009 
1 1 1  -10    2   26 o  615.676   7.7525  1025.06   25.784  1009.66   35.945  1041.38   37.007  610.921   10.889  620.431   11.038 -9.510437 15.50500 
1 1 1  -10    2   27 o  1002.00   12.104  2719.95   65.523  2756.01   93.920  2685.76   91.455  1008.45   17.235  995.554   17.000 12.89490 24.20869 
1 1 1  -10    2   28 o  745.808   9.1978  1505.02   37.064  1518.31   52.874  1492.18   51.970  749.040   13.063  742.575   12.952 6.464722 18.39552 
1 1 1  -10    2   29 o  553.964   7.1135  829.637   21.290  839.450   30.458  820.262   29.771  557.164   10.117  550.765   10.003 6.399231 14.22703 
1 1 1  -10    2   30 o  471.330   6.2996  600.571   16.044  597.392   22.620  603.790   22.761  470.075   8.9050  472.585   8.9130 -2.510376 12.59927 
1 1 1  -10    2   31 o  506.370   6.6680  692.870   18.237  706.162   26.285  680.534   25.322  511.046   9.5183  501.694   9.3407 9.352112 13.33594 
1 1 1  -10    2   32 o  468.929   6.3293  594.402   16.035  601.552   22.925  587.553   22.438  471.687   8.9945  466.170   8.9072 5.517578 12.65857 
1 1 1  -10    2   33 o  927.705   11.283  2329.89   56.550  2359.44   81.005  2301.80   78.981  933.428   16.060  921.983   15.853 11.44574 22.56641 
1 1 1  -10    2   34 o  742.754   9.2219  1492.20   36.999  1468.00   51.497  1518.02   53.195  736.543   12.939  748.966   13.144 -12.42346 18.44371 
1 1 1  -10    2   35 o  637.793   8.1047  1099.67   27.916  1075.66   38.681  1125.77   40.328  630.541   11.353  645.046   11.570 -14.50500 16.20949 
1 1 1  -10    2   36 o  533.929   7.0513  770.638   20.335  754.948   28.234  787.549   29.311  528.292   9.8904  539.567   10.053 -11.27557 14.10260 
1 1 1  -10    2   37 o  805.699   9.9655  1757.86   43.384  1745.16   60.893  1770.96   61.825  802.751   14.038  808.647   14.149 -5.896362 19.93107 
1 1 1  -10    2   38 o  261.905   5.6082  185.225   7.9298  196.646   11.434  174.639   11.007  269.676   7.8462  254.134   8.0155 15.54172 11.21649 
1 1 1  -10    2   39 o  199.802   6.4256  107.976   6.9373  109.208   9.8469  106.762   9.7751  200.934   9.0690  198.670   9.1054 2.263428 12.85124 
1 1 1  -10    2   40 o  645.971   8.2902  1129.71   28.938  1123.97   40.837  1135.49   41.012  644.324   11.729  647.619   11.719 -3.295044 16.58048 
1 1 1  -10    2   41 o  663.016   8.4625  1190.49   30.312  1204.12   43.413  1177.52   42.343  666.708   12.050  659.324   11.885 7.384216 16.92507 
1 1 1  -10    2   42 o  114.320   9.5726   35.671   5.8483   41.880   8.2916   29.524   8.2501  124.320   12.343  104.320   14.635 20.00012 19.14519 
1 1 1  -10    2   43 o   46.274   13.288   2.2747   5.2085   1.3240   7.3731   3.2218   7.3589   44.748   18.567   47.800   19.015 -3.052143 26.57672 
1 1 1  -10    2   44 o  460.574   6.5121  574.371   16.206  580.970   23.115  567.991   22.727  463.172   9.2354  457.975   9.1834 5.196838 13.02413 
1 1 1  -10    2   45 o  437.378   6.3202  518.109   14.936  519.807   21.301  516.467   20.947  438.075   8.9985  436.680   8.8772 1.394989 12.64036 
1 1 1  -10    2   46 o  208.482   6.0002  117.984   6.7463  112.385   9.6899  123.252   9.3982  203.650   8.8053  213.314   8.1534 -9.663788 12.00048 
1 1 1  -10    2   47 o  460.171   7.9838  580.922   18.993  555.631   31.510  595.354   23.804  451.834   12.906  468.507   9.4025 -16.67276 15.96756 
1 1 1  -10    2   50 o  105.329   10.989   28.817   6.0320   36.824   10.342   24.690   7.4257  115.713   16.541   94.945   14.474 20.76814 21.97899 
1 1 1  -10    2   51 o  211.115   5.8239  120.915   6.6397  125.370   9.5951  116.821   9.1975  214.838   8.2651  207.391   8.2072 7.447067 11.64775 
1 1 1  -10    2   52 o  164.369   6.4842   73.556   5.7589   74.619   8.1899   72.517   8.0996  165.545   9.1553  163.193   9.1849 2.352478 12.96848 
1 1 1  -10    2   53 f  462.996   6.5800  584.218   16.462  586.630   23.387  581.850   23.176  463.933   9.3287  462.059   9.2822 1.873749 13.15999 
1 1 1  -10    2   54 o  153.574   6.8720   64.340   5.6989   67.022   8.2422   61.885   7.8883  156.632   9.7382  150.516   9.6986 6.115326 13.74391 
1 1 1  -10    2   55 o  157.787   6.8706   68.210   5.8386   67.125   8.5743   69.148   7.9727  156.527   10.137  159.047   9.2766 -2.519394 13.74115 
1 1 1  -10    2   56 o  342.926   5.8347  320.897   10.810  323.908   15.469  318.022   15.112  344.473   8.3103  341.378   8.1924 3.095001 11.66946 
1 1 1  -10    2   57 o  280.969   5.6348  215.679   8.5547  215.821   12.153  215.540   12.044  281.047   8.0025  280.891   7.9349 0.1567993 11.26957 
1 1 1  -10    2   58 o  174.643   6.4899   83.544   6.1170   89.227   8.8868   78.427   8.4325  180.291   9.1219  168.995   9.2341 11.29640 12.97988 
1 1 1  -10    2   59 o  235.907   7.2531  154.205   8.7352  154.965   10.748  152.725   14.991  237.661   8.3695  234.153   11.848 3.507126 14.50611 
1 1 1  -10    2   60 o  141.186   8.1251   55.636   6.1389   46.281   8.5538   65.572   8.8156  128.608   12.308  153.763   10.610 -25.15482 16.25011 
1 1 1  -10    2   61 o  114.201   12.871   41.917   6.8116   30.766   11.937   47.301   8.2945   98.477   22.871  129.926   11.814 -31.44863 25.74196 
1 1 1  -10    2   62 o  142.299   9.8961   58.107   7.0746   57.140   12.440   58.569   8.6008  139.933   16.452  144.666   11.002 -4.733505 19.79212 
1 1 1  -10    2   63 o  152.865   7.7798   65.442   6.4211   65.387   9.2650   65.494   8.9072  152.691   11.229  153.040   10.771 -0.3490143 15.55961 
1 1 1  -10    2   64 o   75.673   15.475   18.456   6.5871   17.460   8.4869   19.964   10.447   73.769   20.535   77.577   23.156 -3.808281 30.95014 
1 1 1  -10    2   65 o  157.298   7.8289   70.203   6.6515   68.178   9.4333   72.205   9.3801  154.907   11.270  159.689   10.870 -4.781631 15.65783 
1 1 1  -10    2   66 o  129.530   9.0995   48.534   6.3687   49.298   9.0483   47.785   8.9656  130.569   12.824  128.491   12.913 2.078278 18.19904 
1 1 1  -10    2   67 o   64.606   14.026   11.761   6.3382   23.583   9.1946   1.0559   8.7492   84.895   20.315   44.317   19.346 40.57819 28.05264 
1 1 1  -10    2   68 o  146.986   8.5434   64.141   6.7822   64.749   9.7657   63.575   9.4261  147.467   12.255  146.504   11.907 0.9631958 17.08689 
1 1 1  -10    2   69 o   78.864   14.478   21.698   6.1914   22.718   9.3426   20.900   8.2676   79.796   21.277   77.932   19.640 1.864441 28.95612 
1 1 1  -10    3    1 o  1890.20   22.415  9695.81  228.915  9797.20  327.270  9598.69  320.313  1899.83   31.879  1880.58   31.521 19.24780 44.83093 
1 1 1  -10    3    2 o  1317.39   15.698  4698.81  111.736  4652.44  156.418  4747.13  159.669  1310.77   22.084  1324.01   22.317 -13.24048 31.39668 
1 1 1  -10    3    3 o  1511.57   17.965  6191.33  146.732  6156.44  206.287  6227.06  208.757  1507.27   25.327  1515.86   25.485 -8.591431 35.93036 
1 1 1  -10    3    4 o  523.331   9.3677  740.272   26.491   0.0000   0.0000  740.272   26.491  ?   ?   523.331   9.3677      ?      ? 
1 1 1  -10    3    5 o  501.950   6.4041  680.998   17.370  682.557   24.643  679.458   24.488  502.520   9.0752  501.379   9.0385 1.141022 12.80830 
1 1 1  -10    3    6 o  655.396   8.0937  1161.31   28.664  1162.26   40.590  1160.37   40.484  655.662   11.457  655.130   11.436 0.5321655 16.18740 
1 1 1  -10    3    7 o  329.150   4.6619  292.781   8.2916  291.101   11.718  294.465   11.734  328.204   6.6075  330.096   6.5781 -1.891388 9.323703 
1 1 1  -10    3    8 o  373.599   5.0973  377.067   10.288  370.089   14.372  384.402   14.735  370.055   7.1872  377.142   7.2302 -7.087646 10.19465 
1 1 1  -10    3    9 o  395.062   5.3202  421.713   11.356  415.647   15.907  428.018   16.218  392.165   7.5062  397.958   7.5415 -5.792725 10.64039 
1 1 1  -10    3   10 o  970.347   11.677  2546.71   61.208  2507.37   85.200  2588.67   87.989  962.618   16.379  978.075   16.648 -15.45691 23.35480 
1 1 1  -10    3   11 o  104.168   3.9364   29.408   2.2092   27.725   3.1861   30.966   3.0660  101.289   5.8212  107.047   5.3004 -5.758179 7.872776 
1 1 1  -10    3   12 o  456.725   5.9644  563.884   14.719  567.173   20.952  560.679   20.683  458.040   8.4653  455.411   8.4046 2.628174 11.92887 
1 1 1  -10    3   13 o  274.353   4.2617  203.427   6.3178  201.104   8.9030  205.784   8.9667  272.775   6.0401  275.931   6.0137 -3.155579 8.523353 
1 1 1  -10    3   14 o  614.838   7.6722  1022.46   25.486  1032.62   36.422  1012.71   35.675  617.827   10.910  611.849   10.790 5.977356 15.34435 
1 1 1  -10    3   15 o  678.163   8.3793  1244.19   30.701  1229.62   42.923  1259.45   43.930  674.105   11.783  682.221   11.917 -8.115845 16.75870 
1 1 1  -10    3   16 f  667.053   8.2601  1203.99   29.772  1196.29   41.853  1211.88   42.361  664.896   11.649  669.209   11.714 -4.312866 16.52028 
1 1 1  -10    3   17 o  661.093   8.2033  1182.68   29.304  1177.15   41.296  1188.29   41.590  659.537   11.587  662.649   11.615 -3.111816 16.40657 
1 1 1  -10    3   21 o  517.638   6.6675  724.640   18.645  713.713   26.013  736.184   26.738  513.631   9.3725  521.646   9.4855 -8.014832 13.33491 
1 1 1  -10    3   22 o  340.988   4.9453  314.320   9.1109  316.914   13.012  311.825   12.762  342.366   7.0332  339.609   6.9540 2.756989 9.890591 
1 1 1  -10    3   23 o  842.190   10.265  1921.09   46.703  1896.03   65.181  1947.54   66.949  836.561   14.419  847.818   14.614 -11.25641 20.52958 
1 1 1  -10    3   24 o  381.011   5.3394  392.456   10.991  395.169   15.717  389.860   15.376  382.297   7.6082  379.725   7.4934 2.572571 10.67877 
1 1 1  -10    3   25 o  892.176   10.843  2156.14   52.269  2139.33   73.349  2173.48   74.502  888.654   15.275  895.698   15.393 -7.044250 21.68550 
1 1 1  -10    3   26 o  760.650   9.3592  1566.11   38.469  1565.15   54.421  1567.06   54.386  760.416   13.244  760.883   13.228 -0.4671631 18.71844 
1 1 1  -10    3   27 o  460.712   6.1599  573.904   15.335  570.364   21.640  577.475   21.734  459.285   8.7196  462.140   8.7033 -2.854858 12.31984 
1 1 1  -10    3   28 o  147.456   4.8386   58.714   3.8507   54.738   5.3625   62.947   5.5328  142.306   6.9736  152.605   6.7095 -10.29980 9.677216 
1 1 1  -10    3   29 o   99.294   6.2568   26.466   3.3386   30.734   4.9356   22.866   4.5330  106.623   8.5664   91.965   9.1217 14.65803 12.51358 
1 1 1  -10    3   30 o  957.438   11.599  2481.72   60.005  2497.87   85.488  2466.04   84.246  960.499   16.471  954.377   16.336 6.122620 23.19809 
1 1 1  -10    3   31 o  686.158   8.5645  1273.63   31.755  1269.34   44.842  1277.94   44.975  685.000   12.115  687.316   12.109 -2.316467 17.12897 
1 1 1  -10    3   32 o  1059.31   12.782  3040.15   73.159  3016.35  102.637  3064.74  104.308  1055.11   18.002  1063.51   18.150 -8.404541 25.56390 
1 1 1  -10    3   33 o  354.145   5.3796  338.777   10.290  346.753   14.846  331.403   14.274  358.152   7.6708  350.138   7.5445 8.013916 10.75925 
1 1 1  -10    3   34 o  334.443   5.3006  302.267   9.5772  297.882   13.369  306.888   13.726  331.954   7.4532  336.933   7.5390 -4.978424 10.60126 
1 1 1  -10    3   35 o  431.173   6.0865  502.613   14.180  495.112   19.894  510.358   20.216  427.905   8.6039  434.442   8.6114 -6.537598 12.17302 
1 1 1  -10    3   36 o  383.933   5.7907  398.589   12.013  398.521   17.079  398.655   16.900  383.900   8.2329  383.967   8.1453 -0.6793213E-01 11.58131 
1 1 1  -10    3   37 o  711.403   8.9451  1369.87   34.385  1359.52   48.321  1380.48   48.939  708.685   12.618  714.120   12.682 -5.434387 17.89011 
1 1 1  -10    3   38 o  202.421   6.1648  110.816   6.7431  110.676   9.5081  110.958   9.5645  202.292   8.6981  202.549   8.7386 -0.2568054 12.32968 
1 1 1  -10    3   39 o  240.956   5.9569  156.945   7.7542  160.356   11.121  153.719   10.817  243.501   8.4520  238.411   8.3967 5.090729 11.91388 
1 1 1  -10    3   40 o  655.465   8.3924  1163.06   29.719  1147.17   41.537  1179.73   42.539  650.886   11.810  660.044   11.927 -9.157166 16.78472 
1 1 1  -10    3   41 o   76.524   13.555   16.517   5.7285   21.854   8.1463   11.297   8.0569   88.130   17.720   64.918   20.518 23.21203 27.11077 
1 1 1  -10    3   42 o  486.478   6.7588  640.418   17.764  631.752   24.841  649.488   25.414  483.115   9.5154  489.841   9.6013 -6.726379 13.51768 
1 1 1  -10    3   43 o  405.546   6.1425  444.996   13.457  433.008   18.795  457.608   19.278  399.943   8.6966  411.149   8.6771 -11.20572 12.28507 
1 1 1  -10    3   44 o  461.680   6.5472  576.903   16.326  588.740   23.524  565.903   22.677  466.237   9.3372  457.123   9.1804 9.113556 13.09439 
1 1 1  -10    3   45 o  680.428   8.6738  1255.32   31.859  1291.08   46.340  1223.26   43.872  689.560   12.436  671.296   12.094 18.26404 17.34752 
1 1 1  -10    3   46 o  350.350   5.8431  331.029   11.030  351.803   16.380  313.798   14.919  360.343   8.4124  340.357   8.1116 19.98669 11.68618 
1 1 1  -10    3   47 o  185.704   8.7847   93.685   8.8022   96.261   12.867   91.419   12.068  188.076   12.661  183.333   12.181 4.742630 17.56939 
1 1 1  -10    3   49 o  287.738   8.2852  225.606   12.881  222.500   18.050  228.829   18.387  285.727   11.691  289.750   11.743 -4.023804 16.57037 
1 1 1  -10    3   50 o   58.152   14.242   7.9236   6.1235  -2.6441   10.327   13.653   7.6045   47.062   20.766   69.243   19.496 -22.18114 28.48371 
1 1 1  -10    3   51 o  249.784   5.6325  169.458   7.6016  167.398   10.782  171.495   10.719  248.263   8.0368  251.306   7.8936 -3.043335 11.26492 
1 1 1  -10    3   52 o   95.297   10.639   25.912   5.1506   17.617   7.1967   34.623   7.3746   78.168   17.477  112.426   12.139 -34.25784 21.27878 
1 1 1  -10    3   53 o  135.989   7.3969   50.530   5.4335   50.341   7.7809   50.709   7.5910  135.719   10.610  136.258   10.310 -0.5386963 14.79378 
1 1 1  -10    3   54 o  138.494   7.3810   52.509   5.5236   52.940   7.8114   52.078   7.8118  139.070   10.395  137.919   10.482 1.151566 14.76203 
1 1 1  -10    3   55 o  235.020   5.6912  149.578   7.2023  167.306   10.665  134.713   9.7658  247.760   7.9659  222.281   8.1305 25.47968 11.38244 
1 1 1  -10    3   56 o  309.070   5.6400  260.626   9.4145  259.487   13.519  261.698   13.118  308.363   8.1135  309.777   7.8366 -1.414612 11.28010 
1 1 1  -10    3   57 f   82.319   11.468   19.732   4.9723   16.942   7.2588   22.199   6.8251   75.594   18.024   89.044   14.185 -13.45008 22.93621 
1 1 1  -10    3   58 f  183.552   7.5092   87.608   7.1332   75.500   8.6980  112.478   12.466  165.639   9.7178  201.464   11.451 -35.82486 15.01836 
1 1 1  -10    3   59 o  128.673   9.8351   43.470   6.5674   35.710   8.0323   59.122   11.407  112.808   13.177  144.539   14.605 -31.73104 19.67028 
1 1 1  -10    3   60 o  167.179   8.5716   77.870   7.2345   79.054   12.750   77.308   8.7857  167.094   14.121  167.264   9.7204 -0.1706238 17.14317 
1 1 1  -10    3   61 o  277.119   5.8544  211.347   8.7649  210.086   12.499  212.568   12.295  276.248   8.3730  277.990   8.1847 -1.741577 11.70877 
1 1 1  -10    3   62 o  187.492   6.6098   97.958   6.6569   87.745   9.5448  107.631   9.2891  177.613   9.9450  197.372   8.7096 -19.75929 13.21967 
1 1 1  -10    3   63 o   69.196   13.877   16.281   6.5607  -0.9444   11.814   23.963   7.8891   49.236   21.941   89.155   16.996 -39.91878 27.75339 
1 1 1  -10    3   64 o  226.230   7.6742  140.768   8.9800  133.212   11.069  155.315   15.359  218.699   9.3665  233.762   12.159 -15.06346 15.34841 
1 1 1  -10    3   65 o   57.735   15.767   9.1808   6.7924   7.6523   8.5753   11.755   11.127   53.489   20.750   61.981   23.744 -8.491585 31.53336 
1 1 1  -10    3   66 o  103.003   11.578   31.861   6.4398   33.014   9.3162   30.805   8.9116  104.729   16.462  101.276   16.284 3.452995 23.15530 
1 1 1  -10    3   67 o   66.087   15.167   14.279   6.3539   18.660   9.1461   10.192   8.8335   74.343   21.529   57.832   21.369 16.51137 30.33322 
1 1 1  -10    3   68 o  132.971   9.4733   53.157   6.7788   60.162   9.9953   47.192   9.2243  141.360   13.085  124.582   13.702 16.77752 18.94659 
1 1 1  -10    3   69 o  150.476   8.5396   67.064   6.9191   64.149   10.047   69.693   9.5424  146.706   12.674  154.247   11.449 -7.541245 17.07923 
1 1 1  -10    4    1 o  503.515   6.4391  685.260   17.520  681.851   24.714  688.704   24.840  502.257   9.1059  504.774   9.1067 -2.517639 12.87824 
1 1 1  -10    4    2 o  818.995   9.9418  1813.72   43.992  1832.67   62.877  1795.54   61.571  823.181   14.135  814.810   13.984 8.371765 19.88363 
1 1 1  -10    4    3 o  235.376   3.9408  149.712   5.0118  146.800   7.0725  152.649   7.1031  233.077   5.6154  237.676   5.5306 -4.598343 7.881696 
1 1 1  -10    4    4 o  345.985   4.8735  323.243   9.1053  330.206   13.170  316.868   12.602  349.550   6.9726  342.420   6.8108 7.130310 9.746986 
1 1 1  -10    4    5 o  829.063   10.060  1858.67   45.062  1877.80   64.414  1840.34   63.062  833.235   14.306  824.891   14.148 8.343994 20.12018 
1 1 1  -10    4    6 o  1383.12   16.472  5183.06  123.112  5191.55  174.441  5174.64  173.773  1384.24   23.321  1381.99   23.270 2.248047 32.94462 
1 1 1  -10    4    7 f  186.112   3.6926   93.607   3.7129   93.170   5.2976   94.028   5.2052  185.685   5.2797  186.539   5.1639 -0.8534698 7.385217 
1 1 1  -10    4    8 o  684.356   8.4395  1266.00   31.203  1249.57   43.595  1283.26   44.680  679.807   11.868  688.904   12.002 -9.097046 16.87894 
1 1 1  -10    4    9 o  708.714   8.7068  1358.25   33.344  1354.09   47.035  1362.46   47.276  707.623   12.301  709.805   12.326 -2.181824 17.41367 
1 1 1  -10    4   10 o  1046.53   12.565  2965.31   71.053  2950.22   99.954  2980.74  101.023  1043.84   17.721  1049.21   17.818 -5.372681 25.13000 
1 1 1  -10    4   12 o  225.336   3.9627  137.122   4.8232  141.169   6.9435  133.348   6.7048  228.546   5.6223  222.125   5.5860 6.420959 7.925496 
1 1 1  -10    4   13 o  203.392   3.8683  111.859   4.2494  109.416   6.0604  114.222   5.9600  201.205   5.5741  205.579   5.3651 -4.374054 7.736593 
1 1 1  -10    4   14 o  736.650   9.0409  1467.81   35.971  1439.73   49.935  1498.10   51.860  729.343   12.670  743.957   12.900 -14.61475 18.08184 
1 1 1  -10    4   15 o  451.962   5.9489  552.117   14.525  542.418   20.265  562.363   20.829  447.884   8.3733  456.041   8.4525 -8.156555 11.89775 
1 1 1  -10    4   16 o  716.852   8.8258  1390.30   34.176  1367.49   47.571  1414.63   49.130  710.789   12.386  722.916   12.577 -12.12683 17.65156 
1 1 1  -10    4   17 o  685.893   12.021  1275.07   44.540  1295.95   63.946  1255.41   62.073  691.326   17.117  680.461   16.882 10.86566 24.04148 
1 1 1  -10    4   20 o  587.296   9.0887  942.625   27.534  905.180   45.969  963.573   34.384  577.897   14.721  596.695   10.664 -18.79736 18.17741 
1 1 1  -10    4   21 o  669.763   8.3286  1214.22   30.139  1201.27   42.218  1227.67   43.040  666.129   11.729  673.398   11.828 -7.269104 16.65723 
1 1 1  -10    4   22 f  493.190   6.4361  657.848   17.151  662.610   24.453  653.238   24.061  494.943   9.1431  491.435   9.0607 3.507874 12.87222 
1 1 1  -10    4   23 o  430.344   5.8105  499.873   13.493  517.800   19.724  484.104   18.499  437.577   8.3418  423.111   8.0909 14.46582 11.62106 
1 1 1  -10    4   24 o  483.218   6.3543  631.262   16.587  641.228   23.797  621.845   23.133  486.923   9.0444  479.514   8.9279 7.409760 12.70858 
1 1 1  -10    4   25 o  1043.50   12.583  2951.88   70.948  2932.61   99.678  2971.67  101.006  1040.06   17.736  1046.94   17.854 -6.880371 25.16601 
1 1 1  -10    4   26 o  437.085   5.9238  516.192   13.986  504.214   19.452  529.012   20.124  431.841   8.3357  442.329   8.4192 -10.48868 11.84769 
1 1 1  -10    4   27 o  1030.77   12.440  2878.68   69.282  2851.11   97.034  2907.35   98.954  1025.75   17.506  1035.79   17.680 -10.03870 24.88057 
1 1 1  -10    4   28 o  889.832   10.823  2142.62   52.022  2108.93   72.408  2178.57   74.789  882.619   15.182  897.045   15.429 -14.42657 21.64581 
1 1 1  -10    4   29 o  744.569   9.1967  1499.78   37.001  1493.24   52.136  1506.43   52.521  742.933   12.987  746.204   13.025 -3.270569 18.39338 
1 1 1  -10    4   30 o  318.263   5.0197  273.736   8.6320  269.872   12.112  277.724   12.305  315.982   7.0936  320.546   7.1042 -4.563873 10.03933 
1 1 1  -10    4   31 o   67.891   10.086   12.907   3.5846   14.911   5.1925   11.082   4.9546   73.052   13.656   62.731   14.847 10.32140 20.17235 
1 1 1  -10    4   32 o  999.109   12.090  2703.80   65.266  2688.65   91.771  2719.31   92.839  996.285   17.047  1001.93   17.148 -5.647949 24.17903 
1 1 1  -10    4   33 o   54.426   11.419   7.2780   3.9985   13.158   5.7717   1.8520   5.5446   68.343   15.924   40.509   16.370 27.83352 22.83772 
1 1 1  -10    4   34 o  496.889   6.6643  667.662   17.894  669.405   25.373  665.938   25.238  497.534   9.4378  496.245   9.4117 1.288788 13.32860 
1 1 1  -10    4   35 o  1017.85   12.337  2808.98   67.857  2809.26   95.973  2808.71   95.955  1017.90   17.448  1017.80   17.447 0.9869385E-01 24.67477 
1 1 1  -10    4   36 o  628.440   8.0444  1068.65   27.316  1061.60   38.385  1075.88   38.882  626.344   11.341  630.536   11.412 -4.192139 16.08883 
1 1 1  -10    4   37 o  1175.35   14.214  3747.58   90.207  3827.13  130.658  3675.12  124.694  1187.19   20.367  1163.52   19.833 23.66626 28.42815 
1 1 1  -10    4   38 o  286.734   5.6409  222.311   8.7392  223.445   12.459  221.212   12.262  287.452   8.0207  286.015   7.9339 1.437042 11.28180 
1 1 1  -10    4   39 o  1253.22   15.106  4270.04  102.291  4247.44  143.944  4293.09  145.390  1249.89   21.313  1256.55   21.412 -6.662720 30.21122 
1 1 1  -10    4   40 o  780.119   9.7335  1649.26   41.024  1667.24   58.683  1632.07   57.373  784.262   13.847  775.975   13.683 8.286743 19.46698 
1 1 1  -10    4   41 o  330.055   5.7407  294.700   10.235  293.764   14.645  295.593   14.311  329.537   8.2245  330.572   8.0113 -1.034790 11.48143 
1 1 1  -10    4   42 o  816.580   10.140  1809.73   44.742  1806.57   63.260  1812.89   63.290  815.865   14.349  817.295   14.331 -1.429688 20.27961 
1 1 1  -10    4   43 o  850.579   10.519  1965.90   48.343  1980.02   68.962  1952.26   67.787  853.556   14.952  847.602   14.800 5.953857 21.03801 
1 1 1  -10    4   44 o  644.381   8.2969  1126.21   28.889  1116.76   40.602  1135.90   41.112  641.649   11.710  647.114   11.757 -5.464966 16.59386 
1 1 1  -10    4   45 o  660.706   8.4706  1185.17   30.241  1178.87   42.598  1191.57   42.940  658.941   11.963  662.471   11.995 -3.529846 16.94119 
1 1 1  -10    4   46 o  428.484   7.7237  493.182   16.737  513.513   29.683  483.704   20.266  434.535   12.641  422.433   8.8782 12.10202 15.44745 
1 1 1  -10    4   47 o  520.265   9.9983  736.856   28.077  765.090   40.909  711.712   38.605  529.618   14.294  510.913   13.983 18.70496 19.99668 
1 1 1  -10    4   49 o  201.849   8.7977  111.120   9.5868  104.595   13.406  117.950   13.715  195.750   12.673  207.949   12.206 -12.19922 17.59533 
1 1 1  -10    4   50 o  295.841   7.1317  234.552   10.528  247.523   19.197  228.973   12.590  301.218   11.794  290.463   8.0216 10.75537 14.26333 
1 1 1  -10    4   51 o  209.259   5.9524  119.132   6.7004  104.924   9.3694  134.003   9.5860  196.415   8.8277  222.103   7.9872 -25.68752 11.90477 
1 1 1  -10    4   52 o  167.901   6.3707   76.836   5.7718   75.036   8.3277   78.499   8.0068  165.967   9.2857  169.835   8.7246 -3.868118 12.74137 
1 1 1  -10    4   53 o   94.085   10.044   24.387   5.0937   26.885   7.3509   22.079   7.0647   98.772   13.773   89.397   14.625 9.374580 20.08889 
1 1 1  -10    4   54 o   78.695   12.433   17.956   5.1497   19.455   7.5246   16.635   7.0629   81.831   17.544   75.560   17.622 6.271271 24.86605 
1 1 1  -10    4   55 o  104.377   9.3924   30.126   5.2940   31.413   7.6487   28.943   7.3348  106.513   13.289  102.240   13.276 4.272324 18.78475 
1 1 1  -10    4   56 o  295.955   5.6652  238.948   9.0560  242.088   13.036  236.018   12.590  297.800   8.1008  294.109   7.9218 3.691345 11.33040 
1 1 1  -10    4   57 o  185.713   6.5324   94.663   6.5537   97.150   9.2693   92.177   9.2675  188.191   9.1151  183.235   9.3598 4.955215 13.06484 
1 1 1  -10    4   58 o  164.085   8.1333   73.721   6.9364   71.224   8.6340   78.266   11.649  160.761   9.9390  167.410   12.877 -6.649124 16.26664 
1 1 1  -10    4   59 o  152.837   8.9763   65.142   6.9013   66.036   12.238   64.726   8.3568  152.630   14.839  153.043   10.105 -0.4129791 17.95268 
1 1 1  -10    4   60 o   81.259   14.659   20.575   6.1688   19.376   11.077   21.113   7.4273   78.304   23.950   84.213   16.909 -5.908997 29.31740 
1 1 1  -10    4   61 o  274.315   5.9221  207.419   8.7692  202.156   12.586  212.383   12.225  270.788   8.6016  277.842   8.1424 -7.053925 11.84419 
1 1 1  -10    4   62 o  188.821   6.6770   98.256   6.7903  108.954   10.068   89.329   9.1971  198.210   9.3997  179.431   9.4856 18.77943 13.35406 
1 1 1  -10    4   63 o   69.053   14.503   14.675   5.8310   18.486   8.8008   11.693   7.7849   76.238   20.790   61.868   20.226 14.37049 29.00522 
1 1 1  -10    4   64 o  204.714   8.1467  121.756   8.3317  109.099   14.425  128.092   10.206  194.598   13.718  214.830   8.7921 -20.23236 16.29337 
1 1 1  -10    4   65 o   71.969   15.469   17.057   6.5549   13.586   8.6447   21.752   10.054   64.241   21.329   79.697   22.410 -15.45609 30.93757 
1 1 1  -10    4   66 o  184.691   7.5064   96.477   7.4897   98.410   10.566   94.525   10.618  186.659   10.475  182.723   10.754 3.935654 15.01276 
1 1 1  -10    4   67 f  204.643   7.0305  117.776   7.7471  131.723   11.467  106.064   10.508  215.819   9.8327  193.468   10.051 22.35143 14.06093 
1 1 1  -10    4   68 o   93.984   13.028   29.358   6.3726   29.575   9.2491   29.161   8.7926   93.871   18.888   94.097   17.947 -0.2257614 26.05505 
1 1 1  -10    4   69 f   52.835   14.569   9.0557   6.0122   8.3304   8.6354   9.7380   8.3758   51.729   20.592   53.940   20.616 -2.211250 29.13838 
1 1 1  -10    5    1 o  447.663   8.3615  541.650   20.227   0.0000   0.0000  541.650   20.227  ?   ?   447.663   8.3615      ?      ? 
1 1 1  -10    5    2 o  801.034   9.7550  1734.89   42.215  1755.88   60.480  1714.95   58.951  805.751   13.891  796.316   13.700 9.435242 19.50995 
1 1 1  -10    5    3 o  761.623   9.3060  1568.67   38.299  1568.89   54.221  1568.44   54.106  761.676   13.174  761.570   13.148 0.1063232 18.61195 
1 1 1  -10    5    5 o  775.445   9.4669  1626.22   39.669  1623.58   56.045  1628.87   56.155  774.815   13.386  776.075   13.390 -1.259583 18.93383 
1 1 1  -10    5    6 o  951.256   11.473  2447.69   58.956  2480.78   84.560  2416.39   82.242  957.500   16.343  945.011   16.105 12.48926 22.94520 
1 1 1  -10    5    7 o  1123.87   13.468  3420.09   81.792  3424.71  115.859  3415.49  115.486  1124.62   19.065  1123.11   19.029 1.510010 26.93649 
1 1 1  -10    5    8 o  531.944   6.7831  764.999   19.498  765.268   27.634  764.732   27.514  532.036   9.6119  531.851   9.5737 0.1850586 13.56628 
1 1 1  -10    5    9 o  1043.47   12.546  2948.95   70.737  2970.99  100.838  2927.60   99.255  1047.29   17.818  1039.64   17.668 7.652222 25.09271 
1 1 1  -10    5   10 o  327.015   4.7477  288.945   8.3872  293.269   12.036  284.864   11.694  329.391   6.7622  324.639   6.6661 4.752075 9.495467 
1 1 1  -10    5   11 o  1559.46   18.612  6617.60  156.841  6598.39  221.100  6637.06  222.521  1557.20   26.276  1561.72   26.368 -4.517700 37.22483 
1 1 1  -10    5   13 o  1251.47   14.985  4252.45  101.337  4257.87  143.525  4247.05  143.101  1252.26   21.210  1250.68   21.174 1.581665 29.97038 
1 1 1  -10    5   14 o  540.278   6.9003  789.060   20.138  773.223   28.017  805.987   28.965  534.676   9.6971  545.879   9.8195 -11.20325 13.80060 
1 1 1  -10    5   15 o  507.681   6.5539  696.965   17.978  689.146   25.213  705.052   25.641  504.786   9.2434  510.575   9.2937 -5.789551 13.10776 
1 1 1  -10    5   16 o  954.787   14.143  2483.66   69.176  2502.23   85.392  2448.20  117.991  960.755   16.448  948.819   23.013 11.93634 28.28693 
1 1 1  -10    5   19 o  309.613   6.7379  258.377   11.252  240.766   15.389  278.604   16.493  298.319   9.5467  320.907   9.5110 -22.58789 13.47587 
1 1 1  -10    5   20 o  765.062   9.4002  1584.83   38.848  1559.92   54.097  1611.35   55.824  758.872   13.192  771.252   13.395 -12.38000 18.80033 
1 1 1  -10    5   21 o  697.081   8.6415  1315.50   32.549  1321.26   46.284  1309.86   45.783  698.585   12.261  695.576   12.181 3.009338 17.28297 
1 1 1  -10    5   22 o  666.323   8.3008  1201.38   29.882  1184.81   41.740  1218.81   42.798  661.616   11.675  671.029   11.803 -9.412659 16.60168 
1 1 1  -10    5   23 o  1025.10   12.379  2849.13   68.550  2809.19   95.579  2891.44   98.371  1017.74   17.379  1032.47   17.632 -14.73309 24.75746 
1 1 1  -10    5   24 o  281.227   4.6053  213.220   6.9872  223.667   10.243  204.127   9.5558  287.652   6.5896  274.803   6.4352 12.84900 9.210542 
1 1 1  -10    5   25 o  580.967   7.3995  912.937   23.229  908.523   32.726  917.419   32.977  579.552   10.450  582.381   10.479 -2.828857 14.79896 
1 1 1  -10    5   26 o  985.960   11.927  2633.90   63.543  2637.51   90.062  2630.31   89.666  986.630   16.893  985.290   16.841 1.340149 23.85361 
1 1 1  -10    5   27 o  826.161   10.108  1846.63   45.110  1816.82   62.803  1878.41   64.835  819.287   14.186  833.035   14.403 -13.74719 20.21614 
1 1 1  -10    5   28 o  175.394   4.7958   83.166   4.5403   78.170   6.3846   88.278   6.4578  170.061   6.9476  180.726   6.6127 -10.66458 9.591531 
1 1 1  -10    5   29 o  432.174   5.9438  504.816   13.879  497.508   19.469  512.369   19.792  428.994   8.3984  435.354   8.4131 -6.359772 11.88754 
1 1 1  -10    5   30 o  270.395   4.8234  197.581   7.0465  199.558   10.071  195.686   9.8624  271.719   6.8594  269.070   6.7831 2.648224 9.646878 
1 1 1  -10    5   31 o  1438.66   17.199  5620.99  133.705  5626.11  189.314  5615.90  188.861  1439.30   24.341  1438.01   24.305 1.295654 34.39801 
1 1 1  -10    5   32 o  1612.01   19.248  7066.97  167.662  7081.37  237.573  7052.69  236.649  1613.63   27.246  1610.38   27.195 3.250854 38.49562 
1 1 1  -10    5   33 o  431.355   6.0935  502.927   14.201  494.454   19.874  511.766   20.300  427.645   8.6004  435.066   8.6347 -7.420776 12.18710 
1 1 1  -10    5   34 o  1231.36   14.801  4115.56   98.480  4092.02  138.470  4139.64  140.087  1227.82   20.871  1234.91   20.993 -7.089233 29.60217 
1 1 1  -10    5   35 o  298.979   5.4251  241.098   8.7531  230.263   12.008  253.383   12.786  291.831   7.6145  306.128   7.7296 -14.29675 10.85024 
1 1 1  -10    5   36 o  550.740   7.3047  820.060   21.729  835.675   31.309  805.550   30.181  555.789   10.425  545.692   10.235 10.09692 14.60950 
1 1 1  -10    5   37 o  401.164   6.1235  435.242   13.274  432.937   18.806  437.531   18.738  400.103   8.6985  402.224   8.6213 -2.120636 12.24704 
1 1 1  -10    5   38 o  776.557   9.6782  1633.51   40.612  1633.92   57.531  1633.10   57.337  776.651   13.708  776.463   13.666 0.1887207 19.35640 
1 1 1  -10    5   39 o  621.989   8.0575  1047.24   27.081  1043.72   38.232  1050.79   38.365  620.940   11.394  623.039   11.396 -2.099487 16.11499 
1 1 1  -10    5   40 o  705.205   8.9320  1347.20   34.032  1329.86   47.613  1365.30   48.660  700.576   12.577  709.833   12.686 -9.257507 17.86403 
1 1 1  -10    5   41 o  247.534   5.8109  165.710   7.7703  160.069   10.894  171.549   11.086  243.246   8.2884  251.823   8.1466 -8.577026 11.62178 
1 1 1  -10    5   42 o  508.062   6.9739  698.796   19.142  685.988   26.739  712.261   27.416  503.292   9.8318  512.832   9.8932 -9.539795 13.94773 
1 1 1  -10    5   43 o  364.453   5.8771  359.597   11.572  356.299   16.484  362.801   16.249  362.797   8.4082  366.109   8.2136 -3.311707 11.75417 
1 1 1  -10    5   44 o  374.857   5.9501  380.482   12.050  379.461   17.197  381.467   16.891  374.354   8.5010  375.359   8.3275 -1.004639 11.90018 
1 1 1  -10    5   45 o  274.049   5.7226  202.539   8.4530  215.577   12.510  191.586   11.466  282.120   8.2062  265.978   7.9780 16.14279 11.44514 
1 1 1  -10    5   46 o  275.529   7.7876  205.925   11.587  215.045   16.722  197.500   16.072  281.392   10.997  269.665   11.029 11.72739 15.57519 
1 1 1  -10    5   47 o  254.703   7.9481  174.934   10.895  195.000   16.283  158.671   14.659  267.817   11.251  241.588   11.229 26.22914 15.89622 
1 1 1  -10    5   48 o   79.096   16.981   17.687   7.8870   16.773   11.747   18.437   10.642   77.835   24.794   80.358   23.209 -2.522446 33.96180 
1 1 1  -10    5   49 o  308.529   8.1030  257.234   13.425  277.928   20.406  241.441   17.827  319.296   11.827  297.763   11.079 21.53323 16.20601 
1 1 1  -10    5   50 o  352.651   7.4547  331.371   12.900  356.531   24.324  321.524   15.217  361.188   12.463  344.114   8.1835 17.07425 14.90933 
1 1 1  -10    5   51 o   87.838   11.617   22.412   5.2612   17.956   8.0107   25.792   6.9769   78.737   19.038   96.938   13.319 -18.20086 23.23428 
1 1 1  -10    5   52 o   73.518   11.934   14.711   5.0588   25.019   7.5485   6.3066   6.8160   95.228   14.669   51.808   18.829 43.41996 23.86843 
1 1 1  -10    5   53 o  254.598   5.6636  176.317   7.7883  178.165   11.205  174.589   10.833  255.867   8.1039  253.329   7.9140 2.538162 11.32711 
1 1 1  -10    5   54 o  195.027   6.0874  103.891   6.4066  100.859   9.2155  106.727   8.9128  192.211   8.8726  197.843   8.3369 -5.632233 12.17486 
1 1 1  -10    5   55 o  181.477   6.2682   89.659   6.1327   94.849   9.0566   85.264   8.3343  186.279   8.9973  176.676   8.7298 9.603424 12.53641 
1 1 1  -10    5   56 o  317.311   5.7587  274.374   9.8559  285.418   14.478  264.836   13.454  323.185   8.2905  311.437   7.9948 11.74783 11.51735 
1 1 1  -10    5   57 o  103.133   12.849   32.822   6.4781   37.101   8.0995   25.225   10.793  115.380   12.991   90.886   22.173 24.49440 25.69800 
1 1 1  -10    5   58 o  129.337   10.360   49.410   6.5630   41.532   11.526   53.190   7.9838  120.025   17.771  138.648   10.656 -18.62322 20.72071 
1 1 1  -10    5   59 o  107.379   12.808   36.221   6.3929   28.378   11.520   39.712   7.6848   95.426   22.675  119.333   11.918 -23.90634 25.61596 
1 1 1  -10    5   60 o  292.562   5.8525  235.161   9.2462  239.106   13.361  231.535   12.809  294.849   8.3860  290.276   8.1659 4.572876 11.70499 
1 1 1  -10    5   61 o  105.230   10.284   31.891   5.8047   28.231   8.3204   35.362   8.1020   98.876   15.573  111.583   13.437 -12.70641 20.56862 
1 1 1  -10    5   62 o   88.157   12.179   23.448   5.5888   23.466   8.0847   23.431   7.7345   87.988   17.619   88.325   16.820 -0.3370895 24.35813 
1 1 1  -10    5   63 o   37.641   12.148  -3.6448   5.4882  -1.5327   8.0664  -5.4652   7.4888   40.452   18.071   34.830   16.239 5.622101 24.29517 
1 1 1  -10    5   64 o  146.830   10.053   64.210   7.2739   57.658   12.847   67.302   8.8246  138.915   17.114  154.744   10.553 -15.82887 20.10668 
1 1 1  -10    5   65 o  125.766   9.4318   45.774   6.3806   52.062   9.4932   40.593   8.6173  133.718   13.138  117.813   13.536 15.90530 18.86357 
1 1 1  -10    5   66 o  164.975   9.3854   78.297   8.0873   76.782   10.187   80.878   13.300  164.224   11.480  165.726   14.851 -1.501740 18.77071 
1 1 1  -10    5   67 o   87.782   13.578   25.646   6.2632   29.251   9.1766   22.503   8.5696   94.160   18.695   81.403   19.696 12.75654 27.15538 
1 1 1  -10    5   68 o   40.045   12.783  -1.9184   5.9801   2.9669   8.7539  -6.1932   8.1887   45.319   19.569   34.771   16.451 10.54738 25.56545 
1 1 1  -10    5   69 o   70.302   14.935   18.711   6.2062   16.301   9.3100   20.638   8.3259   65.019   22.137   75.585   20.054 -10.56576 29.87028 
1 1 1  -10    6    1 o  807.199   13.922  1762.57   60.726   0.0000   0.0000  1762.57   60.726  ?   ?   807.199   13.922      ?      ? 
1 1 1  -10    6    2 o  850.744   10.338  1957.88   47.521  1941.11   66.667  1975.20   67.755  847.045   14.565  854.442   14.675 -7.397095 20.67600 
1 1 1  -10    6    4 o  1292.56   15.437  4527.11  107.796  4468.48  150.412  4589.03  154.564  1283.99   21.679  1301.13   21.984 -17.14587 30.87470 
1 1 1  -10    6    5 o  592.052   7.4529  946.833   23.823  970.776   34.558  925.151   32.887  599.171   10.674  584.933   10.405 14.23755 14.90572 
1 1 1  -10    6    7 o  242.717   4.1915  159.231   5.4967  156.245   7.7708  162.221   7.7764  240.439   5.9810  244.996   5.8739 -4.556564 8.383026 
1 1 1  -10    6    8 o  502.160   6.4958  681.818   17.625  685.814   25.100  677.931   24.755  503.610   9.2235  500.710   9.1493 2.899628 12.99164 
1 1 1  -10    6    9 o  607.932   7.6488  999.741   25.126  1002.20   35.723  997.331   35.345  608.670   10.861  607.195   10.773 1.475159 15.29757 
1 1 1  -10    6   10 o  617.733   7.7373  1032.29   25.827  1027.15   36.398  1037.51   36.653  616.183   10.931  619.283   10.953 -3.099487 15.47455 
1 1 1  -10    6   11 o  881.201   10.700  2102.92   50.944  2122.72   72.780  2083.89   71.333  885.256   15.214  877.146   15.050 8.109802 21.40039 
1 1 1  -10    6   12 o  1219.72   14.623  4036.97   96.343  4104.47  138.638  3973.93  133.981  1229.53   20.867  1209.92   20.493 19.60645 29.24677 
1 1 1  -10    6   14 o  824.837   14.253  1842.70   63.530  1842.70   63.530   0.0000   0.0000  824.837   14.253  ?   ?       ?      ? 
1 1 1  -10    6   15 o  250.320   6.2024  169.369   8.3846  161.284   11.723  177.838   11.997  244.204   8.8835  256.437   8.6580 -12.23273 12.40472 
1 1 1  -10    6   18 o  842.066   14.583  1927.68   66.356  1919.37   93.705  1936.04   93.978  840.242   20.638  843.890   20.609 -3.647583 29.16601 
1 1 1  -10    6   19 o  210.655   4.2579  120.010   4.8448  116.870   6.8852  123.089   6.8183  207.923   6.1281  213.388   5.9131 -5.464844 8.515817 
1 1 1  -10    6   20 o  1050.06   12.671  2991.81   71.893  2967.54  100.884  3016.86  102.478  1045.75   17.853  1054.36   17.987 -8.619019 25.34261 
1 1 1  -10    6   21 o  454.539   6.0620  558.591   14.885  565.189   21.353  552.355   20.761  457.146   8.6441  451.933   8.5012 5.213104 12.12394 
1 1 1  -10    6   22 o  574.688   7.3265  892.591   22.735  870.125   31.423  917.271   32.935  567.115   10.254  582.260   10.468 -15.14496 14.65303 
1 1 1  -10    6   23 o  250.241   4.4477  169.259   6.0129  169.626   8.5967  168.907   8.4134  250.506   6.3508  249.976   6.2285 0.5295105 8.895335 
1 1 1  -10    6   24 o  386.783   5.4712  404.268   11.430  410.516   16.446  398.429   15.898  389.670   7.8103  383.895   7.6639 5.774902 10.94244 
1 1 1  -10    6   25 o  236.703   4.5320  151.521   5.7931  148.695   8.2926  154.214   8.0963  234.544   6.5430  238.862   6.2727 -4.317780 9.064089 
1 1 1  -10    6   26 o  730.717   9.0477  1444.36   35.717  1424.64   49.874  1465.14   51.175  725.603   12.720  735.832   12.870 -10.22858 18.09546 
1 1 1  -10    6   27 o  818.759   10.032  1813.38   44.368  1783.47   61.766  1845.27   63.774  811.796   14.080  825.722   14.293 -13.92609 20.06364 
1 1 1  -10    6   28 o  401.337   5.6801  435.223   12.314  441.920   17.699  428.940   17.144  404.327   8.1008  398.348   7.9644 5.978821 11.36018 
1 1 1  -10    6   29 o  879.629   10.730  2094.49   51.004  2093.38   72.165  2095.60   72.096  879.394   15.186  879.864   15.164 -0.4691162 21.46094 
1 1 1  -10    6   30 o  408.491   5.7718  451.051   12.740  445.965   17.900  456.271   18.135  406.159   8.1560  410.824   8.1690 -4.665497 11.54355 
1 1 1  -10    6   31 o  128.051   6.1249   44.140   4.2288   47.636   6.2264   41.146   5.7615  132.738   8.6807  123.365   8.6429 9.373566 12.24971 
1 1 1  -10    6   32 o  714.436   8.9229  1381.06   34.447  1380.04   48.751  1382.07   48.681  714.171   12.633  714.700   12.605 -0.5288696 17.84573 
1 1 1  -10    6   33 o  1177.44   14.176  3759.17   90.164  3700.79  125.460  3821.53  129.666  1168.03   19.878  1186.85   20.218 -18.81970 28.35293 
1 1 1  -10    6   34 o  749.442   9.3356  1520.26   37.801  1502.11   52.910  1539.18   54.025  744.882   13.145  754.001   13.260 -9.119690 18.67121 
1 1 1  -10    6   35 o  347.392   5.6281  326.286   10.564  320.299   14.876  332.377   15.005  344.176   7.9987  350.608   7.9199 -6.431763 11.25628 
1 1 1  -10    6   36 o  618.764   7.9868  1035.72   26.699  1020.72   37.299  1051.48   38.235  614.175   11.239  623.354   11.351 -9.179077 15.97362 
1 1 1  -10    6   37 o  295.522   5.5847  236.116   8.9171  230.960   12.523  241.419   12.700  292.249   7.9302  298.796   7.8656 -6.546692 11.16940 
1 1 1  -10    6   38 o  429.999   6.3043  500.107   14.647  500.706   20.857  499.524   20.575  430.250   8.9710  429.748   8.8600 0.5021362 12.60865 
1 1 1  -10    6   39 o  971.223   11.868  2560.56   62.284  2560.48   88.169  2560.64   87.997  971.204   16.800  971.242   16.767 -0.3808594E-01 23.73567 
1 1 1  -10    6   40 o  218.924   6.2411  129.693   7.3820  128.273   10.494  131.084   10.386  217.734   8.9195  220.113   8.7320 -2.379532 12.48223 
1 1 1  -10    6   41 o  458.474   6.5503  568.979   16.227  564.494   23.022  573.408   22.875  456.672   9.3294  460.276   9.1972 -3.603607 13.10062 
1 1 1  -10    6   42 o  514.827   7.0344  717.971   19.569  715.629   27.761  720.286   27.589  513.986   9.9953  515.668   9.9009 -1.682190 14.06887 
1 1 1  -10    6   43 f  658.795   8.4495  1177.32   30.079  1178.43   42.717  1176.23   42.360  659.093   11.994  658.497   11.905 0.5957642 16.89908 
1 1 1  -10    6   44 o  482.869   6.7781  631.865   17.686  628.246   25.025  635.475   24.997  481.483   9.6185  484.255   9.5528 -2.772095 13.55624 
1 1 1  -10    6   45 f  216.692   8.3300  127.484   9.7506  131.914   13.980  123.288   13.606  220.360   11.741  213.025   11.820 7.334503 16.66007 
1 1 1  -10    6   46 o  181.659   8.9785   89.784   8.7865   99.482   12.610   80.631   12.250  191.242   12.202  172.076   13.174 19.16608 17.95700 
1 1 1  -10    6   47 o  151.883   10.992   62.728   9.0218   62.728   9.0218   0.0000   0.0000  151.883   10.992  ?   ?       ?      ? 
1 1 1  -10    6   48 o  433.573   9.1170  513.242   21.343  514.414   30.825  512.162   29.580  433.959   13.145  433.187   12.637 0.7720032 18.23404 
1 1 1  -10    6   49 o  409.643   8.9813  457.428   19.833  469.820   29.225  446.847   27.004  414.659   13.043  404.628   12.351 10.03079 17.96252 
1 1 1  -10    6   50 o   47.160   12.025  -3.3761   5.2352   13.080   7.9535 -15.9564   6.9541   67.927   20.189   26.394   13.068 41.53334 24.04962 
1 1 1  -10    6   51 f  200.020   6.1407  109.007   6.6237  101.173   9.3745  116.818   9.3601  192.782   8.9990  207.259   8.3576 -14.47711 12.28136 
1 1 1  -10    6   52 o  159.764   7.0066   69.618   6.0281   70.046   8.9131   69.258   8.1836  160.152   10.299  159.376   9.5024 0.7766113 14.01322 
1 1 1  -10    6   53 f  130.415   7.8530   46.604   5.5206   46.912   8.1062   46.338   7.5392  130.753   11.473  130.077   10.726 0.6763458 15.70600 
1 1 1  -10    6   54 o   45.313   13.018   2.4317   5.1016  -0.6305   7.6070   4.9348   6.8775   41.761   18.137   48.864   18.680 -7.102810 26.03613 
1 1 1  -10    6   55 o  241.586   5.8207  159.270   7.5805  159.531   11.114  159.042   10.366  241.688   8.5097  241.483   7.9440 0.2043152 11.64142 
1 1 1  -10    6   56 o   57.574   13.271   7.8516   6.0832   16.615   7.4804  -9.2613   10.453   74.769   18.593   40.378   18.942 34.39070 26.54251 
1 1 1  -10    6   57 o  159.341   7.1203   70.227   6.0845   67.191   9.0611   72.720   8.2111  155.979   10.751  162.703   9.3394 -6.723999 14.24069 
1 1 1  -10    6   58 o   86.246   14.052   20.638   6.0676   29.099   10.995   16.934   7.2756   97.386   21.472   75.105   18.133 22.28119 28.10408 
1 1 1  -10    6   59 o  119.489   9.0107   39.244   5.7471   48.935   8.7931   32.016   7.5934  132.261   12.303  106.716   13.168 25.54530 18.02137 
1 1 1  -10    6   60 o  127.080   8.6042   45.206   5.8825   46.736   8.7944   43.967   7.9135  128.834   12.632  125.326   11.685 3.508270 17.20833 
1 1 1  -10    6   61 f   93.337   11.325   26.212   5.4381   20.088   7.8889   31.756   7.5067   80.906   18.453  105.768   13.134 -24.86151 22.65018 
1 1 1  -10    6   62 o  102.915   11.080   31.001   5.9234   38.035   8.6105   24.682   8.1615  115.404   13.808   90.426   17.334 24.97842 22.16096 
1 1 1  -10    6   63 o  143.775   8.1207   58.435   6.3038   57.848   9.0718   58.983   8.7658  142.931   11.746  144.619   11.217 -1.687958 16.24146 
1 1 1  -10    6   64 f  351.794   6.2542  344.522   11.885  345.586   17.046  343.516   16.579  352.190   8.9570  351.399   8.7312 0.7913208 12.50844 
1 1 1  -10    6   65 o  192.195   8.2480  103.009   8.1214  114.437   14.180   97.431   9.9073  198.387   13.227  186.004   9.8571 12.38298 16.49605 
1 1 1  -10    6   66 o  204.797   8.5710  121.214   9.1513  124.656   11.644  115.653   14.799  210.301   10.247  199.294   13.742 11.00710 17.14205 
1 1 1  -10    6   67 o  129.633   11.331   53.863   7.6009   56.851   9.7320   49.189   12.171  137.443   13.104  121.824   18.489 15.61894 22.66161 
1 1 1  -10    6   68 o  113.627   10.576   39.268   6.4554   40.855   9.7271   38.019   8.6297  115.053   15.646  112.200   14.234 2.853058 21.15149 
1 1 1  -10    6   69 o  126.695   9.7802   49.206   6.6688   53.907   9.9915   45.430   8.9554  131.894   14.019  121.496   13.641 10.39819 19.56030 
1 1 1  -10    7    1 f  401.964   5.5621  436.814   12.081  435.867   17.125  437.751   17.046  401.529   7.8926  402.398   7.8394 -0.8685913 11.12425 
1 1 1  -10    7    2 o  752.667   9.2497  1533.13   37.620  1528.26   53.087  1538.04   53.318  751.468   13.074  753.866   13.089 -2.398499 18.49937 
1 1 1  -10    7    3 o  896.650   15.401  2177.30   74.622   0.0000   0.0000  2177.30   74.622  ?   ?   896.650   15.401      ?      ? 
1 1 1  -10    7    4 o  902.448   10.950  2205.58   53.396  2190.66   75.046  2220.88   75.988  899.363   15.442  905.532   15.529 -6.169250 21.90020 
1 1 1  -10    7    5 o  695.011   8.6183  1306.63   32.357  1325.17   46.457  1289.17   45.093  699.789   12.286  690.234   12.090 9.554382 17.23667 
1 1 1  -10    7    6 o  291.079   4.5936  229.038   7.2246  227.421   10.267  230.624   10.167  290.060   6.5506  292.098   6.4417 -2.037628 9.187264 
1 1 1  -10    7    7 o  827.209   10.102  1852.83   45.157  1854.24   63.939  1851.42   63.785  827.522   14.299  826.896   14.275 0.6262207 20.20467 
1 1 1  -10    7    8 o  661.163   8.2400  1182.78   29.439  1176.83   41.484  1188.81   41.782  659.490   11.641  662.836   11.665 -3.345947 16.48000 
1 1 1  -10    7    9 o  486.739   6.3756  640.683   16.769  639.935   23.773  641.424   23.657  486.454   9.0437  487.023   8.9892 -0.5681763 12.75121 
1 1 1  -10    7   10 o  740.772   9.1259  1483.79   36.497  1521.86   52.982  1449.41   50.347  749.786   13.077  731.757   12.733 18.02881 18.25173 
1 1 1  -10    7   11 o  507.875   6.5910  697.561   18.088  691.652   25.454  703.589   25.708  505.703   9.3148  510.048   9.3274 -4.344849 13.18204 
1 1 1  -10    7   12 f  513.216   6.6534  711.573   18.435  730.869   26.763  694.153   25.430  519.821   9.5279  506.610   9.2892 13.21152 13.30677 
1 1 1  -10    7   13 o  773.764   11.582  1642.12   46.620  1698.03   59.043  1549.55   75.976  791.832   13.799  755.696   18.605 36.13672 23.16408 
1 1 1  -10    7   14 o  1042.41   17.907  2930.69  100.046  3182.43  153.671  2745.50  131.806  1080.54   26.319  1004.28   24.288 76.26294 35.81304 
1 1 1  -10    7   17 o  645.213   9.9287  1122.83   32.518  1112.96   39.605  1143.24   56.965  641.198   11.431  649.228   16.238 -8.029785 19.85746 
1 1 1  -10    7   18 o  169.058   4.3174   77.215   3.9426   78.908   5.6715   75.632   5.4845  170.849   6.1432  167.267   6.0680 3.582169 8.634759 
1 1 1  -10    7   19 o  204.671   4.3830  113.023   4.8422  117.903   7.0510  108.668   6.6613  208.843   6.2481  200.499   6.1484 8.344238 8.765908 
1 1 1  -10    7   20 o  567.015   7.2512  869.570   22.213  856.425   31.030  883.385   31.811  562.625   10.207  571.405   10.303 -8.779602 14.50240 
1 1 1  -10    7   21 o  380.229   5.4125  390.896   11.120  387.119   15.692  394.706   15.761  378.383   7.6746  382.075   7.6341 -3.691467 10.82490 
1 1 1  -10    7   22 o  293.926   4.7405  233.446   7.5249  236.063   10.851  231.021   10.445  295.510   6.7951  292.341   6.6118 3.168823 9.480956 
1 1 1  -10    7   23 o  345.503   5.1371  322.679   9.5898  324.147   13.680  321.262   13.447  346.274   7.3113  344.733   7.2184 1.541840 10.27423 
1 1 1  -10    7   24 o  594.109   7.5627  954.756   24.279  954.501   34.429  955.007   34.243  594.028   10.726  594.190   10.665 -0.1613159 15.12544 
1 1 1  -10    7   25 o  686.230   8.5793  1273.22   31.799  1247.54   44.167  1300.86   45.819  679.057   12.037  693.402   12.229 -14.34540 17.15867 
1 1 1  -10    7   26 o  399.591   5.6624  431.536   12.222  435.431   17.552  427.870   17.030  401.339   8.0931  397.844   7.9216 3.495453 11.32475 
1 1 1  -10    7   27 o  475.530   6.3807  611.354   16.395  610.749   23.321  611.945   23.053  475.295   9.0800  475.764   8.9669 -0.4690247 12.76134 
1 1 1  -10    7   28 o  1331.16   15.931  4807.05  114.589  4827.70  162.872  4786.81  161.246  1333.97   22.595  1328.34   22.464 5.629395 31.86182 
1 1 1  -10    7   29 o  704.383   8.7937  1342.19   33.469  1330.59   47.015  1354.11   47.656  701.299   12.406  707.467   12.466 -6.167603 17.58736 
1 1 1  -10    7   30 o  171.401   5.2397   79.559   4.8434   76.312   6.9788   82.576   6.7273  168.018   7.6867  174.784   7.1228 -6.766510 10.47945 
1 1 1  -10    7   31 o  485.196   6.5381  636.312   17.139  624.733   23.954  648.456   24.532  480.677   9.2222  489.716   9.2704 -9.039337 13.07626 
1 1 1  -10    7   32 o  1261.31   15.151  4316.38  103.242  4263.93  144.223  4371.50  147.856  1253.49   21.293  1269.13   21.560 -15.64258 30.30173 
1 1 1  -10    7   33 o  485.204   6.6281  636.115   17.369  618.521   24.101  655.129   25.055  478.232   9.3262  492.176   9.4206 -13.94379 13.25618 
1 1 1  -10    7   34 o  716.593   8.9965  1390.01   34.835  1377.49   48.947  1402.85   49.587  713.328   12.698  719.859   12.748 -6.530334 17.99308 
1 1 1  -10    7   35 o  1202.09   14.500  3923.60   94.183  3936.17  133.708  3911.22  132.688  1203.98   20.552  1200.19   20.460 3.795532 28.99944 
1 1 1  -10    7   36 o  648.842   8.3119  1139.54   29.142  1137.84   41.326  1141.22   41.100  648.357   11.796  649.327   11.714 -0.9707642 16.62375 
1 1 1  -10    7   37 o   73.083   13.974   14.969   5.6468   15.517   8.1789   14.470   7.8058   74.322   19.948   71.843   19.574 2.478935 27.94772 
1 1 1  -10    7   38 o  164.815   7.1745   73.517   6.3868   73.154   9.1584   73.861   8.9112  164.415   10.308  165.216   9.9815 -0.8009186 14.34895 
1 1 1  -10    7   39 o  1230.23   14.877  4121.70   98.893  4097.36  139.083  4146.59  140.641  1226.58   20.984  1233.88   21.094 -7.295898 29.75346 
1 1 1  -10    7   40 o  733.267   9.2343  1457.35   36.588  1448.06   51.532  1466.80   51.958  730.912   13.047  735.622   13.071 -4.709412 18.46856 
1 1 1  -10    7   41 o  916.790   11.273  2284.94   55.845  2273.35   78.705  2296.68   79.251  914.455   15.928  919.125   15.957 -4.669312 22.54562 
1 1 1  -10    7   42 o  528.331   7.1576  756.274   20.433  754.890   29.046  757.629   28.750  527.844   10.184  528.819   10.061 -0.9746094 14.31522 
1 1 1  -10    7   43 f  339.012   5.8105  311.150   10.644  308.530   15.042  313.778   15.064  337.581   8.2459  340.444   8.1886 -2.863464 11.62101 
1 1 1  -10    7   44 o  256.340   7.9411  178.343   10.999  179.257   15.671  177.455   15.441  256.981   11.285  255.698   11.176 1.283401 15.88217 
1 1 1  -10    7   45 o  333.804   8.0246  302.689   14.473  303.604   20.626  301.802   20.314  334.289   11.418  333.318   11.278 0.9710999 16.04913 
1 1 1  -10    7   46 o  276.843   6.9929  210.001   10.116  216.099   12.873  200.158   16.355  282.324   8.4384  271.362   11.153 10.96191 13.98574 
1 1 1  -10    7   47 o  223.070   7.3852  135.039   8.4273  134.462   10.357  136.171   14.496  222.595   8.6107  223.545   12.001 -0.9494324 14.77036 
1 1 1  -10    7   48 o  197.041   9.0177  105.195   9.5470  113.266   14.464   98.964   12.709  203.625   13.145  190.458   12.349 13.16675 18.03550 
1 1 1  -10    7   49 o  194.151   9.5806  103.299   10.018  101.824   14.717  104.572   13.676  192.748   14.130  195.555   12.942 -2.807327 19.16116 
1 1 1  -10    7   50 f  124.701   8.7731   43.797   5.7167   32.158   8.2781   54.408   7.9041  108.156   14.164  141.247   10.356 -33.09154 17.54618 
1 1 1  -10    7   51 o  249.580   5.6689  169.108   7.6320  173.143   11.180  165.587   10.444  252.329   8.1996  246.831   7.8302 5.497452 11.33781 
1 1 1  -10    7   52 o   87.043   12.008   22.334   5.4459   15.112   7.9758   28.641   7.4540   72.119   19.843  101.966   13.528 -29.84674 24.01600 
1 1 1  -10    7   53 o   44.157   12.928   1.7862   5.0789  -0.6100   7.8108   3.5414   6.6851   42.400   18.396   45.915   18.169 -3.514965 25.85582 
1 1 1  -10    7   54 o  325.342   8.3795  288.823   14.732  288.823   14.732   0.0000   0.0000  325.342   8.3795  ?   ?       ?      ? 
1 1 1  -10    7   55 o  239.976   7.0834  155.541   8.8337  149.183   10.973  167.252   14.892  233.583   8.6933  246.370   11.186 -12.78627 14.16680 
1 1 1  -10    7   56 o  135.290   9.9328   50.954   6.9776   50.176   8.7147   52.342   11.646  134.505   11.990  136.075   15.839 -1.569672 19.86557 
1 1 1  -10    7   57 o   72.811   14.837   17.157   6.2957   8.9482   11.689   20.511   7.4719   62.279   24.208   83.342   17.163 -21.06308 29.67453 
1 1 1  -10    7   58 o  125.067   8.8153   43.770   5.9229   43.305   8.8326   44.149   7.9840  124.225   13.158  125.910   11.735 -1.685249 17.63058 
1 1 1  -10    7   59 o   79.494   12.806   18.894   5.3746   21.970   7.9928   16.355   7.2613   85.536   17.869   73.452   18.348 12.08379 25.61160 
1 1 1  -10    7   60 o   92.780   11.340   25.432   5.4931   23.218   8.1388   27.285   7.4444   87.693   17.784   97.866   14.077 -10.17248 22.68089 
1 1 1  -10    7   61 o   90.095   11.671   24.286   5.5003   21.576   8.0945   26.610   7.4969   83.893   18.365   96.297   14.407 -12.40378 23.34196 
1 1 1  -10    7   62 o   79.681   13.034   18.204   5.8504   30.118   9.1360   9.9219   7.6171  101.248   16.699   58.114   20.018 43.13430 26.06811 
1 1 1  -10    7   63 o  169.361   7.4762   79.028   6.7739   92.214   10.515   69.672   8.8569  181.106   10.744  157.615   10.399 23.49039 14.95247 
1 1 1  -10    7   64 o   47.515   13.898   4.2301   5.8112   3.1520   8.8106   5.0603   7.7313   47.004   19.948   48.025   19.358 -1.021313 27.79661 
1 1 1  -10    7   65 o   46.938   20.597   1.1878   10.032   1.1878   10.032   0.0000   0.0000   46.938   20.597  ?   ?       ?      ? 
1 1 1  -10    7   66 o  120.474   13.452   47.786   7.7429   39.730   13.211   52.001   9.5562  107.428   23.419  133.520   13.245 -26.09187 26.90489 
1 1 1  -10    7   67 o  239.391   7.9559  168.057   9.9520  169.185   12.638  166.216   16.146  242.920   9.6280  235.862   12.668 7.058746 15.91178 
1 1 1  -10    7   68 o  109.563   11.723   37.954   6.6941   46.593   9.9751   30.875   9.0291  122.616   15.055   96.510   17.975 26.10621 23.44674 
1 1 1  -10    8    3 o  756.334   9.3154  1547.07   38.045  1512.00   52.632  1585.44   55.058  747.381   13.032  765.287   13.314 -17.90601 18.63071 
1 1 1  -10    8    4 o  525.712   6.8152  747.281   19.356  755.876   27.745  739.131   27.016  528.652   9.7123  522.772   9.5635 5.879944 13.63044 
1 1 1  -10    8    6 o  602.943   7.6386  983.521   24.887  982.913   35.268  984.125   35.123  602.755   10.828  603.131   10.777 -0.3753052 15.27712 
1 1 1  -10    8    7 o  421.025   5.7509  479.253   13.082  481.638   18.677  476.955   18.329  422.051   8.1894  419.998   8.0762 2.052277 11.50181 
1 1 1  -10    8    8 o  121.218   7.0085   39.723   4.5907   0.0000   0.0000   39.723   4.5907  ?   ?   121.218   7.0085      ?      ? 
1 1 1  -10    8    9 o  1185.34   14.246  3814.54   91.249  3814.90  129.170  3814.19  128.922  1185.39   20.166  1185.29   20.129 0.1004639 28.49232 
1 1 1  -10    8   10 o  440.975   7.3609  515.623   16.214  499.503   19.369  553.378   29.642  429.790   8.3399  452.160   12.132 -22.37057 14.72185 
1 1 1  -10    8   11 o  322.659   6.9586  280.873   12.111  293.919   17.786  269.595   16.537  329.621   9.9855  315.698   9.6941 13.92270 13.91715 
1 1 1  -10    8   12 o  355.543   7.3709  341.629   14.153  330.405   19.610  353.829   20.446  349.458   10.385  361.629   10.463 -12.17120 14.74177 
1 1 1  -10    8   13 f  422.671   11.671  483.559   26.656   0.0000   0.0000  483.559   26.656  ?   ?   422.671   11.671      ?      ? 
1 1 1  -10    8   15 o  208.033   6.2092  116.954   6.9731  119.347   10.128  114.797   9.6148  210.050   8.9231  206.015   8.6368 4.034927 12.41836 
1 1 1  -10    8   16 o  384.973   7.7437  400.774   16.109   0.0000   0.0000  400.774   16.109  ?   ?   384.973   7.7437      ?      ? 
1 1 1  -10    8   17 o  340.726   5.1119  313.877   9.4094  314.596   13.468  313.193   13.151  341.104   7.3068  340.348   7.1509 0.7561646 10.22374 
1 1 1  -10    8   18 o  481.566   6.4003  627.253   16.655  623.959   23.543  630.551   23.564  480.300   9.0713  482.833   9.0314 -2.532715 12.80059 
1 1 1  -10    8   19 o  452.250   6.1175  553.125   14.949  546.364   21.081  559.964   21.203  449.468   8.6796  455.031   8.6233 -5.562561 12.23502 
1 1 1  -10    8   20 o  407.960   5.7233  449.799   12.609  456.307   18.202  443.794   17.484  410.791   8.1998  405.128   7.9867 5.663330 11.44656 
1 1 1  -10    8   21 o  864.239   10.553  2022.93   49.280  2014.73   69.498  2031.21   69.889  862.481   14.912  865.997   14.935 -3.516296 21.10510 
1 1 1  -10    8   22 o  465.128   6.2644  585.016   15.744  580.142   22.280  589.879   22.252  463.190   8.9015  467.065   8.8166 -3.874329 12.52870 
1 1 1  -10    8   23 o  472.256   6.3223  602.681   16.129  587.824   22.464  618.489   23.171  466.253   8.9161  478.258   8.9659 -12.00482 12.64455 
1 1 1  -10    8   24 o  283.029   6.7309  216.522   10.294   0.0000   0.0000  216.522   10.294  ?   ?   283.029   6.7309      ?      ? 
1 1 1  -10    8   25 o  428.655   5.9429  496.380   13.761  481.132   19.168  512.595   19.766  421.867   8.4085  435.442   8.4005 -13.57529 11.88577 
1 1 1  -10    8   26 o  874.762   10.684  2071.09   50.501  2075.92   71.719  2066.34   71.123  875.769   15.155  873.754   15.064 2.015015 21.36806 
1 1 1  -10    8   27 o  793.432   9.7696  1703.51   41.886  1699.33   59.210  1707.71   59.263  792.455   13.827  794.408   13.805 -1.953552 19.53918 
1 1 1  -10    8   28 o  698.754   8.7363  1320.75   32.984  1307.23   46.285  1334.70   47.016  695.123   12.322  702.385   12.388 -7.261475 17.47256 
1 1 1  -10    8   29 o  360.088   5.4779  350.535   10.658  348.092   15.128  352.943   15.019  358.841   7.8016  361.336   7.6919 -2.494537 10.95590 
1 1 1  -10    8   30 o  334.375   5.3750  302.241   9.7092  302.062   13.893  302.413   13.574  334.275   7.6913  334.474   7.5105 -0.1981506 10.75007 
1 1 1  -10    8   31 o  1431.56   17.159  5568.09  132.733  5544.88  186.939  5591.69  188.496  1428.56   24.217  1434.55   24.316 -5.983887 34.31804 
1 1 1  -10    8   32 o  326.967   5.4633  288.998   9.6487  277.720   13.558  300.572   13.734  320.501   7.8285  333.433   7.6227 -12.93173 10.92661 
1 1 1  -10    8   33 o  633.339   8.1273  1083.90   27.788  1050.32   38.295  1121.23   40.385  623.006   11.375  643.672   11.611 -20.66565 16.25457 
1 1 1  -10    8   35 o  263.866   5.7178  188.241   8.1482  189.191   11.733  187.357   11.325  264.505   8.2086  263.227   7.9618 1.278229 11.43556 
1 1 1  -10    8   36 o  291.095   5.7382  228.693   9.0171  241.084   13.095  217.522   12.434  298.578   8.1165  283.613   8.1136 14.96542 11.47641 
1 1 1  -10    8   37 o  923.657   11.338  2313.03   56.581  2286.36   79.218  2340.81   80.841  918.236   15.966  929.077   16.103 -10.84106 22.67574 
1 1 1  -10    8   38 o  510.040   7.0159  704.099   19.336  698.524   27.375  709.649   27.316  508.020   9.9719  512.059   9.8719 -4.038605 14.03189 
1 1 1  -10    8   39 o  196.003   6.6178  103.579   6.9960  110.856   10.275   97.290   9.5522  202.396   9.3948  189.610   9.3229 12.78584 13.23555 
1 1 1  -10    8   40 o  379.271   6.0491  389.326   12.395  380.432   17.517  398.245   17.542  374.926   8.6463  383.616   8.4622 -8.690796 12.09830 
1 1 1  -10    8   41 o  172.777   7.0488   80.545   6.5604   84.762   9.7538   77.062   8.8652  176.879   10.205  168.675   9.7264 8.203491 14.09763 
1 1 1  -10    8   42 o  236.999   5.9419  152.184   7.6028  148.365   10.896  155.809   10.614  234.086   8.6137  239.911   8.1871 -5.825043 11.88378 
1 1 1  -10    8   43 f  299.875   7.0295  248.520   10.859  227.252   17.928  260.843   13.647  289.380   11.465  310.369   8.1371 -20.98914 14.05903 
1 1 1  -10    8   44 o  156.574   9.7905   66.808   8.2762   68.941   11.598   64.595   11.814  159.154   13.486  153.994   14.197 5.160049 19.58105 
1 1 1  -10    8   45 o  300.293   7.9035  244.222   12.793  256.081   18.920  234.234   17.363  306.951   11.407  293.635   10.943 13.31586 15.80694 
1 1 1  -10    8   46 o  366.870   5.9680  364.663   11.816  372.244   17.224  357.924   16.239  370.440   8.6048  363.300   8.2720 7.140015 11.93596 
1 1 1  -10    8   47 o  422.179   9.0840  485.856   20.680  498.198   30.399  475.225   28.214  427.048   13.173  417.310   12.512 9.738068 18.16795 
1 1 1  -10    8   48 o   74.883   17.306   15.346   8.0792   13.705   11.915   16.743   10.992   72.585   25.034   77.181   23.901 -4.596359 34.61106 
1 1 1  -10    8   49 o  206.449   7.7924  113.453   7.8849  123.018   14.921  109.746   9.2877  211.944   13.028  200.954   8.5531 10.99019 15.58478 
1 1 1  -10    8   50 o  227.488   5.8978  141.213   7.2143  135.010   10.602  146.561   9.8452  222.735   8.8087  232.240   7.8451 -9.504990 11.79570 
1 1 1  -10    8   51 o  344.471   5.8246  322.605   10.830  326.813   15.733  318.815   14.930  346.557   8.4011  342.384   8.0700 4.172791 11.64916 
1 1 1  -10    8   52 o  249.646   5.8637  169.693   7.9006  170.719   11.475  168.768   10.894  250.317   8.4834  248.976   8.0972 1.341751 11.72748 
1 1 1  -10    8   53 o  398.466   6.1969  433.474   13.340  432.989   19.057  433.940   18.680  398.204   8.8565  398.728   8.6701 -0.5245972 12.39385 
1 1 1  -10    8   54 o  318.846   5.8531  277.496   10.083  273.822   14.309  281.121   14.212  316.716   8.3606  320.975   8.1937 -4.258362 11.70627 
1 1 1  -10    8   55 o  222.919   7.4459  134.305   8.5479  128.760   10.500  145.203   14.719  216.801   8.9628  229.037   11.893 -12.23558 14.89178 
1 1 1  -10    8   56 o  134.083   10.777   51.813   6.9061   48.153   13.010   53.248   8.1491  129.322   18.617  138.843   10.862 -9.520920 21.55401 
1 1 1  -10    8   57 o  424.737   6.4951  495.379   14.865  509.083   21.977  483.820   20.183  429.909   9.4601  419.565   8.9022 10.34360 12.99013 
1 1 1  -10    8   58 f   57.751   13.934   8.4193   5.4773   14.304   8.1793   3.6351   7.3752   68.698   20.486   46.805   18.892 21.89315 27.86761 
1 1 1  -10    8   59 o   75.437   13.113   16.565   5.4420   24.939   8.3990   10.505   7.1447   91.196   17.682   59.679   19.370 31.51674 26.22698 
1 1 1  -10    8   60 o  135.040   8.3557   51.039   6.0835   55.821   8.9164   46.875   8.3212  140.982   11.704  129.098   11.928 11.88481 16.71137 
1 1 1  -10    8   61 o   88.323   12.593   24.752   5.8170   15.759   8.7254   31.946   7.8045   70.795   21.170  105.851   13.645 -35.05621 25.18622 
1 1 1  -10    8   62 o  165.714   7.4204   76.609   6.6115   80.565   9.9475   73.479   8.8488  169.308   10.873  162.121   10.101 7.187210 14.84079 
1 1 1  -10    8   63 o  178.486   7.2236   88.310   6.9179  104.199   10.387   75.644   9.2740  192.905   9.9647  164.067   10.461 28.83786 14.44717 
1 1 1  -10    8   64 o   36.633   12.012  -5.4837   5.8812 -12.0531   9.0081  -0.6033   7.7642   33.216   16.110   40.050   17.822 -6.834461 24.02374 
1 1 1  -10    8   66 o   97.809   14.659   30.228   7.2182   44.009   12.641   23.560   8.7926  112.564   21.568   83.054   19.860 29.50987 29.31854 
1 1 1  -10    8   67 o   48.109   14.909   0.4025   6.9271   11.565   12.590  -4.4437   8.2956   59.697   24.464   36.521   17.049 23.17554 29.81835 
1 1 1  -10    8   68 o   58.897   15.321   11.642   7.4345   21.212   10.077   0.2111   11.013   73.370   22.911   44.425   20.347 28.94566 30.64107 
1 1 1  -10    9    1 o  808.334   9.9364  1769.19   43.396  1749.23   60.786  1789.94   61.975  803.692   13.997  812.976   14.108 -9.283447 19.87285 
1 1 1  -10    9    2 o   99.894   5.9467   26.922   3.2038   29.405   4.6433   24.666   4.4261  104.281   8.2401   95.506   8.5763 8.774658 11.89336 
1 1 1  -10    9    3 f  575.118   7.3681  894.785   22.897  897.870   32.569  891.769   32.197  576.095   10.462  574.140   10.378 1.954529 14.73624 
1 1 1  -10    9    4 o  447.353   6.0660  541.055   14.662  532.682   20.544  549.747   20.932  443.827   8.5660  450.879   8.5913 -7.051697 12.13209 
1 1 1  -10    9    5 o  663.941   8.3133  1192.68   29.819  1207.51   42.730  1178.61   41.631  667.954   11.838  659.928   11.674 8.026184 16.62653 
1 1 1  -10    9    6 o  687.901   8.5974  1274.89   31.844  1214.72   42.899  1348.73   47.523  669.939   11.850  705.862   12.459 -35.92297 17.19484 
1 1 1  -10    9    7 o  396.468   6.8178  425.099   13.842  424.917   17.042  425.450   23.728  396.417   7.9557  396.520   11.074 -0.1025696 13.63558 
1 1 1  -10    9    8 o  820.678   14.250  1829.02   63.195  1823.20   89.109  1834.91   89.635  819.370   20.126  821.986   20.180 -2.616150 28.50070 
1 1 1  -10    9    9 o  860.449   14.906  2011.74   69.305  2002.03   97.593  2021.62   98.436  858.363   21.041  862.535   21.120 -4.171936 29.81204 
1 1 1  -10    9   10 o  706.214   12.454  1353.01   47.526  1357.21   67.432  1348.87   66.994  707.297   17.643  705.132   17.582 2.164856 24.90814 
1 1 1  -10    9   11 o  393.897   7.9226  419.818   16.858  423.874   24.193  415.991   23.503  395.739   11.313  392.055   11.094 3.683929 15.84516 
1 1 1  -10    9   12 o  330.973   10.073  296.396   18.015   0.0000   0.0000  296.396   18.015  ?   ?   330.973   10.073      ?      ? 
1 1 1  -10    9   13 o  630.296   11.275  1074.19   38.323  1029.95   52.201  1125.90   56.441  616.303   15.675  644.289   16.212 -27.98584 22.55019 
1 1 1  -10    9   14 o  361.595   10.446  353.829   20.411   0.0000   0.0000  353.829   20.411  ?   ?   361.595   10.446      ?      ? 
1 1 1  -10    9   15 o  242.518   4.5611  158.926   5.9738  161.045   8.6197  156.968   8.2865  244.071   6.5356  240.965   6.3640 3.105698 9.122191 
1 1 1  -10    9   16 o  285.515   4.7908  220.306   7.3871  222.609   10.650  218.171   10.255  286.950   6.8685  284.080   6.6805 2.869629 9.581504 
1 1 1  -10    9   17 o  527.154   6.8956  751.749   19.642  752.181   27.863  751.323   27.694  527.303   9.7786  527.006   9.7248 0.2974243 13.79110 
1 1 1  -10    9   18 o  356.185   7.4513  343.014   14.341   0.0000   0.0000  343.014   14.341  ?   ?   356.185   7.4513      ?      ? 
1 1 1  -10    9   19 o  309.542   4.9928  259.076   8.3496  254.654   11.849  263.438   11.767  306.916   7.1447  312.168   6.9760 -5.252319 9.985512 
1 1 1  -10    9   20 o  699.178   8.7241  1322.90   32.960  1316.44   46.501  1329.43   46.726  697.462   12.338  700.894   12.337 -3.432739 17.44816 
1 1 1  -10    9   21 o  773.279   9.5573  1617.73   39.921  1587.92   55.535  1649.62   57.425  765.920   13.418  780.637   13.613 -14.71716 19.11465 
1 1 1  -10    9   22 o  569.503   7.3469  877.171   22.607  880.525   32.215  873.917   31.733  570.573   10.449  568.435   10.331 2.138062 14.69370 
1 1 1  -10    9   23 o  414.321   5.8544  464.073   13.106  457.425   18.488  470.789   18.583  411.337   8.3179  417.305   8.2407 -5.968109 11.70882 
1 1 1  -10    9   24 o  791.650   9.7648  1695.87   41.771  1698.87   59.305  1692.91   58.844  792.341   13.851  790.959   13.768 1.381775 19.52968 
1 1 1  -10    9   25 o  491.631   6.6069  653.086   17.547  637.334   24.447  669.822   25.199  485.522   9.3182  497.741   9.3690 -12.21896 13.21389 
1 1 1  -10    9   26 o  1176.55   14.158  3749.64   89.964  3676.26  124.746  3829.16  129.866  1164.60   19.823  1188.49   20.221 -23.89404 28.31683 
1 1 1  -10    9   27 o  627.378   7.9934  1063.77   27.085  1038.30   37.584  1091.28   39.067  619.577   11.226  635.179   11.382 -15.60138 15.98684 
1 1 1  -10    9   28 o  308.834   5.2367  257.909   8.7356  250.145   12.379  265.612   12.329  304.200   7.5306  313.468   7.2787 -9.268127 10.47331 
1 1 1  -10    9   29 o  939.713   11.459  2390.79   58.178  2358.65   81.302  2424.53   83.285  933.252   16.122  946.174   16.290 -12.92206 22.91869 
1 1 1  -10    9   30 o  1012.82   12.293  2776.32   67.219  2707.41   92.715  2852.69   97.597  999.622   17.164  1026.02   17.603 -26.39429 24.58638 
1 1 1  -10    9   31 o  290.801   5.3687  228.621   8.4310  217.935   11.852  239.568   11.996  283.919   7.7251  297.684   7.4575 -13.76468 10.73739 
1 1 1  -10    9   32 o  404.315   6.0448  442.025   13.206  436.630   18.588  447.522   18.765  401.824   8.5609  406.806   8.5363 -4.982056 12.08954 
1 1 1  -10    9   33 o  250.773   7.6996  170.031   10.434   0.0000   0.0000  170.031   10.434  ?   ?   250.773   7.6996      ?      ? 
1 1 1  -10    9   34 o  390.336   8.7658  412.052   18.489  412.052   18.489   0.0000   0.0000  390.336   8.7658  ?   ?       ?      ? 
1 1 1  -10    9   35 o  479.940   6.7769  623.049   17.574  612.990   24.702  633.357   25.008  476.017   9.6034  483.863   9.5646 -7.845886 13.55387 
1 1 1  -10    9   36 o  379.768   6.1196  386.586   12.502  349.695   16.776  432.663   18.748  359.575   8.6339  399.961   8.6748 -40.38586 12.23911 
1 1 1  -10    9   37 o  1147.98   13.922  3582.36   86.327  3520.38  120.092  3648.62  124.181  1137.77   19.533  1158.19   19.842 -20.41821 27.84323 
1 1 1  -10    9   38 o   60.471   14.947   8.5034   6.1853   4.7109   8.8879   12.065   8.6133   53.860   21.060   67.083   21.216 -13.22290 29.89399 
1 1 1  -10    9   39 o  850.272   10.550  1962.10   48.467  1939.66   67.935  1985.37   69.167  845.333   14.872  855.210   14.967 -9.877319 21.09979 
1 1 1  -10    9   40 f  279.794   5.9324  212.263   8.9434  206.477   13.050  217.386   12.281  276.171   8.7448  283.417   8.0187 -7.245972 11.86470 
1 1 1  -10    9   41 o  235.716   6.1084  150.461   7.7718  149.795   11.246  151.069   10.752  235.205   8.8486  236.227   8.4234 -1.022491 12.21685 
1 1 1  -10    9   42 o  302.270   6.9137  246.981   10.691  249.549   18.404  245.673   13.134  303.307   11.229  301.232   8.0687 2.075165 13.82735 
1 1 1  -10    9   43 o  374.786   8.3851  381.059   16.965  392.568   24.661  370.721   23.375  380.125   12.006  369.446   11.709 10.67871 16.77019 
1 1 1  -10    9   44 o  227.937   8.0405  141.358   9.8889  133.694   14.064  148.851   13.907  221.777   11.736  234.097   10.994 -12.32085 16.08094 
1 1 1  -10    9   45 o  244.136   5.8683  161.496   7.7301  163.365   11.272  159.836   10.621  245.448   8.4985  242.823   8.0945 2.624969 11.73654 
1 1 1  -10    9   46 o  379.067   7.4664  393.435   14.722  400.591   18.564  381.306   24.168  384.108   8.9441  374.026   11.958 10.08167 14.93278 
1 1 1  -10    9   47 o  328.878   8.4582  295.011   15.023  292.117   21.548  297.748   20.956  327.251   12.185  330.504   11.734 -3.252716 16.91633 
1 1 1  -10    9   48 o  169.797   10.175   78.984   9.3285   83.468   13.462   74.842   12.939  174.446   14.281  165.148   14.499 9.297775 20.35091 
1 1 1  -10    9   49 o  167.424   6.8671   76.457   6.1820   75.465   9.1777   77.282   8.3642  166.354   10.210  168.493   9.1866 -2.138306 13.73429 
1 1 1  -10    9   50 o  392.879   6.1325  420.071   13.011  420.898   18.742  419.303   18.077  393.202   8.8210  392.556   8.5218 0.6469116 12.26507 
1 1 1  -10    9   51 f   74.293   13.088   15.838   5.2334   18.726   7.8390   13.516   7.0293   80.268   18.458   68.318   18.559 11.94925 26.17544 
1 1 1  -10    9   52 o  122.819   8.4384   42.199   5.5008   34.747   8.0124   48.843   7.5655  112.136   13.223  133.502   10.487 -21.36588 16.87687 
1 1 1  -10    9   53 o  383.893   6.0956  402.071   12.635  409.925   18.303  394.920   17.464  387.414   8.7427  380.371   8.4965 7.042999 12.19124 
1 1 1  -10    9   54 o  152.887   9.2346   66.497   7.2363   70.728   9.0985   59.212   11.938  160.391   10.498  145.383   15.196 15.00801 18.46919 
1 1 1  -10    9   55 o  326.539   7.3564  297.720   12.104  282.658   21.070  305.140   14.788  319.078   12.220  334.000   8.1938 -14.92209 14.71286 
1 1 1  -10    9   56 o  250.606   7.5344  165.076   9.0658  192.590   18.001  155.725   10.494  262.735   12.679  238.478   8.1433 24.25713 15.06886 
1 1 1  -10    9   57 o   49.758   13.831   4.8047   5.5502   1.7421   8.4317   7.1464   7.3729   46.309   19.576   53.208   19.545 -6.899097 27.66293 
1 1 1  -10    9   58 o  133.148   8.3668   49.265   5.9923   52.397   9.0063   46.778   8.0267  136.790   12.184  129.507   11.470 7.283905 16.73368 
1 1 1  -10    9   59 o   69.282   13.796   14.284   5.4353   19.147   8.2968   10.628   7.1940   78.726   19.584   59.837   19.438 18.88910 27.59240 
1 1 1  -10    9   60 o  141.622   8.0167   56.032   6.0727   57.949   9.3326   54.624   7.9974  143.376   12.046  139.868   10.581 3.508224 16.03338 
1 1 1  -10    9   61 o   74.085   14.266   16.860   5.8700   21.168   8.9653   13.627   7.7660   81.963   20.339   66.208   20.012 15.75576 28.53298 
1 1 1  -10    9   62 o   55.142   13.631   6.1183   5.5988   16.429   8.6870  -1.2077   7.3224   71.415   21.068   38.868   17.301 32.54631 27.26133 
1 1 1  -10    9   63 o  199.949   6.9839  113.093   7.4906  105.303   11.017  119.791   10.215  192.938   10.567  206.961   9.1340 -14.02354 13.96775 
1 1 1  -10    9   64 o   55.881   14.951   8.2927   6.2109   12.738   9.5948   5.0867   8.1485   62.965   22.407   48.796   19.801 14.16907 29.90248 
1 1 1  -10    9   65 o   57.535   14.677   8.7049   6.6925  -1.2705   9.9751   16.871   9.0251   44.131   19.874   70.938   21.602 -26.80654 29.35388 
1 1 1  -10    9   66 o  168.252   11.041   82.815   10.038   0.0000   0.0000   82.815   10.038  ?   ?   168.252   11.041      ?      ? 
1 1 1  -10    9   67 o   51.619   15.558   5.9415   7.1457   8.5766   12.905   4.7765   8.5812   56.014   23.967   47.225   19.844 8.789005 31.11583 
1 1 1  -10   10    1 o  215.940   8.4686  126.104   9.8817   0.0000   0.0000  126.104   9.8817  ?   ?   215.940   8.4686      ?      ? 
1 1 1  -10   10    2 o  408.677   7.9894  451.839   17.639  445.045   24.616  459.009   25.288  405.525   11.233  411.830   11.364 -6.305023 15.97871 
1 1 1  -10   10    3 o   90.814   9.3488   23.349   4.1297   12.279   5.6373   36.171   6.0670   65.993   15.979  115.634   9.7095 -49.64062 18.69753 
1 1 1  -10   10    4 o  333.727   7.0756  300.570   12.742  287.838   17.456  315.090   18.641  326.186   9.9035  341.269   10.108 -15.08319 14.15130 
1 1 1  -10   10    5 o  133.521   6.7834   48.212   4.8913   50.563   6.9826   45.946   6.8540  136.719   9.4514  130.323   9.7328 6.396271 13.56673 
1 1 1  -10   10    6 o  530.830   9.7507  763.227   27.968  757.883   39.330  768.694   39.779  528.953   13.760  532.707   13.819 -3.753418 19.50147 
1 1 1  -10   10    7 o  364.092   7.5122  358.435   14.773  349.324   20.518  368.243   21.288  359.295   10.568  368.890   10.679 -9.595154 15.02433 
1 1 1  -10   10    8 o  234.520   5.6165  149.602   6.7668  145.901   11.446  151.591   8.3899  232.244   9.1208  236.796   6.5568 -4.552521 11.23302 
1 1 1  -10   10    9 f  392.751   6.8612  417.490   13.713  416.892   23.794  417.787   16.779  392.450   11.220  393.053   7.9000 -0.6026306 13.72239 
1 1 1  -10   10   10 o  267.621   6.8450  192.846   9.8580  203.581   14.764  184.212   13.242  274.297   9.9611  260.944   9.3912 13.35364 13.69008 
1 1 1  -10   10   11 o  913.949   15.817  2272.38   78.088  2236.26  108.753  2310.81  112.195  906.506   22.201  921.393   22.534 -14.88654 31.63370 
1 1 1  -10   10   12 o  1139.55   19.533  3545.49  120.260  3578.83  171.867  3513.51  168.336  1144.72   27.785  1134.37   27.462 10.35376 39.06600 
1 1 1  -10   10   13 f  960.575   11.679  2501.53   60.611  2470.28   84.703  2534.32   86.769  954.450   16.423  966.701   16.611 -12.25116 23.35876 
1 1 1  -10   10   14 o  181.650   4.7966   89.338   4.6954   87.220   6.8523   91.213   6.4468  179.612   7.0601  183.687   6.4949 -4.074463 9.593222 
1 1 1  -10   10   15 o  485.348   6.5071  637.154   17.066  637.022   24.162  637.285   24.108  485.297   9.2137  485.399   9.1911 -0.1016235 13.01421 
1 1 1  -10   10   16 o  503.116   6.6883  684.678   18.182  683.856   25.829  685.485   25.600  502.814   9.5064  503.418   9.4107 -0.6040344 13.37661 
1 1 1  -10   10   17 o  162.967   5.1052   71.949   4.4847   69.101   6.4921   74.548   6.2024  159.872   7.5150  166.061   6.9120 -6.189651 10.21034 
1 1 1  -10   10   18 o  210.910   6.6301  120.242   7.5563   0.0000   0.0000  120.242   7.5563  ?   ?   210.910   6.6301      ?      ? 
1 1 1  -10   10   19 o  578.992   7.4611  906.792   23.343  904.615   33.084  908.951   32.940  578.298   10.587  579.687   10.516 -1.388733 14.92223 
1 1 1  -10   10   20 o  1169.38   14.082  3709.05   88.982  3689.02  125.210  3729.49  126.478  1166.20   19.869  1172.56   19.961 -6.357422 28.16450 
1 1 1  -10   10   21 o  167.615   5.1490   75.911   4.6586   76.632   6.7618   75.261   6.4273  168.370   7.4321  166.860   7.1283 1.509445 10.29803 
1 1 1  -10   10   22 o  772.228   9.5618  1613.69   39.899  1614.85   56.606  1612.55   56.248  772.500   13.561  771.956   13.484 0.5436401 19.12351 
1 1 1  -10   10   23 o  654.060   8.2910  1156.57   29.289  1172.75   42.182  1141.51   40.701  658.467   11.855  649.654   11.594 8.812744 16.58193 
1 1 1  -10   10   24 o  1077.28   13.018  3143.86   75.780  3136.54  107.065  3151.21  107.273  1076.02   18.414  1078.54   18.406 -2.514038 26.03561 
1 1 1  -10   10   25 o  419.066   8.3481  474.764   18.904   0.0000   0.0000  474.764   18.904  ?   ?   419.066   8.3481      ?      ? 
1 1 1  -10   10   26 o  696.934   8.7576  1313.43   32.971  1289.30   45.919  1339.10   47.369  690.336   12.310  703.532   12.460 -13.19604 17.51527 
1 1 1  -10   10   27 o  580.128   7.5633  909.208   23.695  882.183   32.805  938.687   34.261  571.129   10.630  589.128   10.762 -17.99908 15.12668 
1 1 1  -10   10   28 o  2091.85   25.000 11951.21  282.499 11788.27  393.679 12124.18  405.616  2077.34   35.071  2106.36   35.636 -29.01514 49.99924 
1 1 1  -10   10   29 o  711.890   8.9651  1370.87   34.478  1348.95   48.108  1394.03   49.439  706.047   12.609  717.733   12.747 -11.68677 17.93020 
1 1 1  -10   10   30 o  406.283   6.0198  446.184   13.212  430.696   18.515  462.251   18.858  399.099   8.5854  413.466   8.4404 -14.36694 12.03953 
1 1 1  -10   10   31 o  553.992   7.3579  830.258   22.026  819.731   31.040  840.935   31.259  550.453   10.436  557.531   10.376 -7.077942 14.71584 
1 1 1  -10   10   32 o  377.913   6.0738  386.107   12.398  369.934   17.388  402.832   17.682  369.860   8.6999  385.965   8.4780 -16.10425 12.14761 
1 1 1  -10   10   33 o  506.665   6.9855  694.083   19.120  675.272   26.707  713.864   27.386  499.625   9.8921  513.705   9.8658 -14.08023 13.97098 
1 1 1  -10   10   34 o  121.269   9.5937   40.633   6.1413   31.368   8.8328   49.304   8.5446  107.578   15.195  134.960   11.717 -27.38149 19.18731 
1 1 1  -10   10   35 o  621.641   8.0964  1044.79   27.179  1014.00   37.599  1078.49   39.332  612.067   11.368  631.216   11.531 -19.14862 16.19281 
1 1 1  -10   10   36 o  469.586   6.7457  596.537   17.109  601.752   24.617  591.665   23.795  471.562   9.6609  467.611   9.4172 3.950623 13.49135 
1 1 1  -10   10   37 o  422.489   6.4418  483.062   14.702  469.066   20.769  497.122   20.816  416.345   9.2315  428.633   8.9870 -12.28793 12.88359 
1 1 1  -10   10   38 o  521.579   7.1737  736.141   20.213  717.620   28.192  755.730   28.995  514.833   10.134  528.324   10.156 -13.49109 14.34731 
1 1 1  -10   10   39 o  511.290   7.0760  708.141   19.548  705.191   27.795  711.028   27.498  510.226   10.081  512.353   9.9321 -2.126770 14.15202 
1 1 1  -10   10   40 o  744.736   9.4059  1504.87   37.839  1472.02   52.647  1539.97   54.420  736.353   13.231  753.119   13.372 -16.76624 18.81189 
1 1 1  -10   10   41 f  205.632   7.5817  113.710   7.9411  117.455   13.863  111.881   9.6879  208.014   12.334  203.250   8.8209 4.764435 15.16335 
1 1 1  -10   10   42 o  324.128   8.1322  285.269   14.233  284.685   20.515  285.811   19.762  323.777   11.726  324.479   11.271 -0.7025146 16.26447 
1 1 1  -10   10   43 o  274.144   8.0407  204.474   11.885  199.054   17.252  209.369   16.397  270.624   11.798  277.664   10.929 -7.040253 16.08146 
1 1 1  -10   10   44 o  206.482   6.3800  115.746   7.1121  111.047   10.114  120.342   10.003  202.312   9.2518  210.652   8.7876 -8.340027 12.75996 
1 1 1  -10   10   45 o  186.708   8.1502   92.797   7.9292   87.357   9.8495  102.815   13.366  179.268   10.168  194.148   12.740 -14.88037 16.30036 
1 1 1  -10   10   46 o  318.367   8.4008  275.984   14.423  281.531   21.163  271.171   19.710  321.276   12.190  315.458   11.563 5.817871 16.80162 
1 1 1  -10   10   47 o  298.158   8.5659  242.867   13.742  240.540   20.342  244.820   18.638  296.696   12.688  299.621   11.512 -2.925323 17.13186 
1 1 1  -10   10   48 o  242.818   6.0229  158.791   7.8291  170.860   12.080  150.051   10.280  250.627   8.9200  235.009   8.0952 15.61838 12.04571 
1 1 1  -10   10   49 o  193.229   6.3206  101.500   6.5867  103.905   9.6670   99.417   8.9988  195.326   9.1589  191.133   8.7129 4.192932 12.64121 
1 1 1  -10   10   50 o  106.673   9.8927   31.626   5.6346   29.375   8.4602   33.420   7.5536  103.043   15.194  110.303   12.673 -7.259407 19.78545 
1 1 1  -10   10   51 o  200.473   6.3190  109.255   6.8187  113.966   10.181  105.423   9.1824  204.315   9.2214  196.632   8.6420 7.683167 12.63800 
1 1 1  -10   10   52 o  108.301   10.256   32.445   5.6110   46.648   8.5307   21.616   7.4490  130.080   12.136   86.521   16.536 43.55948 20.51135 
1 1 1  -10   10   53 o  173.316   8.4488   80.279   7.5833   74.246   9.3204   92.095   13.043  164.409   10.491  182.223   13.246 -17.81450 16.89750 
1 1 1  -10   10   54 o  184.833   6.8365   93.388   6.7994   98.562   10.188   89.232   9.1305  189.335   9.9578  180.331   9.3699 9.004471 13.67309 
1 1 1  -10   10   55 o  152.516   9.5423   62.260   7.1565   71.937   13.618   58.567   8.4118  159.390   15.811  145.641   10.688 13.74889 19.08467 
1 1 1  -10   10   56 o  172.255   6.9963   82.022   6.4397   80.986   9.8287   82.801   8.5243  171.018   10.636  173.491   9.0927 -2.472931 13.99265 
1 1 1  -10   10   57 o  166.700   7.1776   77.835   6.3639   69.986   9.5733   84.049   8.5187  158.667   11.166  174.733   9.0221 -16.06577 14.35524 
1 1 1  -10   10   58 o  223.430   6.2174  137.585   7.4789  137.901   11.062  137.319   10.150  223.477   9.1604  223.383   8.4089 0.9379578E-01 12.43477 
1 1 1  -10   10   59 o   47.286   13.474   2.9542   5.4839   7.9689   8.1500  -1.1947   7.4132   55.069   20.490   39.502   17.504 15.56682 26.94841 
1 1 1  -10   10   60 o  213.904   6.4846  125.934   7.4530  133.813   11.272  119.814   9.9345  219.622   9.4981  208.186   8.8310 11.43597 12.96919 
1 1 1  -10   10   61 o  160.331   7.5906   70.433   6.4900   83.909   10.233   61.365   8.3942  172.717   10.964  147.946   10.500 24.77110 15.18122 
1 1 1  -10   10   62 o   96.029   12.092   27.342   6.0741   34.526   9.2826   21.962   8.0325  108.143   15.885   83.915   18.235 24.22800 24.18359 
1 1 1  -10   10   63 o  125.535   9.6595   45.411   6.4914   54.860   9.8482   38.153   8.6321  137.161   13.287  113.909   14.024 23.25186 19.31895 
1 1 1  -10   10   64 o  205.101   7.0173  114.865   7.6663  142.527   12.073   96.173   9.9241  225.210   9.9203  184.992   9.9277 40.21808 14.03467 
1 1 1  -10   10   65 o   60.389   13.838   11.080   6.2404  -0.3118   9.1107   21.147   8.5650   42.280   19.021   78.498   20.104 -36.21842 27.67625 
1 1 1  -10   10   66 o  236.062   6.6663  158.350   8.4688  158.591   12.546  158.148   11.478  235.692   9.8508  236.431   8.9845 -0.7385254 13.33259 
1 1 1  -10   10   67 o  146.087   9.3227   65.277   7.2591   61.024   10.915   68.650   9.7206  140.221   14.405  151.952   11.838 -11.73088 18.64537 
1 1 1  -10   11    1 o  317.559   6.9590  272.296   11.928  284.459   17.389  261.487   16.392  324.240   9.9245  310.879   9.7577 13.36090 13.91793 
1 1 1  -10   11    2 o  497.787   8.0880  668.093   20.506  678.829   35.669  662.793   25.061  500.605   13.186  494.970   9.3700 5.634613 16.17597 
1 1 1  -10   11    3 o  134.059   6.3625   47.635   4.4619   52.432   7.4418   44.942   5.5751  139.206   9.8930  128.912   8.0034 10.29378 12.72504 
1 1 1  -10   11    5 o  400.897   5.7717  434.627   12.502  427.063   17.604  442.326   17.759  397.376   8.1981  404.418   8.1265 -7.042053 11.54334 
1 1 1  -10   11    7 o  622.632   11.211  1049.31   37.720   0.0000   0.0000  1049.31   37.720  ?   ?   622.632   11.211      ?      ? 
1 1 1  -10   11    8 o  392.290   8.0824  416.597   17.130  413.288   24.386  419.820   24.069  390.745   11.549  393.835   11.310 -3.090546 16.16476 
1 1 1  -10   11    9 o  406.656   8.2901  446.068   18.166  467.793   26.930  427.928   24.608  415.693   11.989  397.620   11.453 18.07281 16.58014 
1 1 1  -10   11   10 o  474.681   9.1088  610.125   23.364  606.757   32.991  613.513   33.092  473.365   12.898  475.996   12.866 -2.631042 18.21750 
1 1 1  -10   11   11 o  174.525   7.0551   82.349   6.6535   0.0000   0.0000   82.349   6.6535  ?   ?   174.525   7.0551      ?      ? 
1 1 1  -10   11   12 o  409.270   5.8381  452.949   12.909  453.845   18.431  452.087   18.087  409.664   8.3258  408.876   8.1864 0.7880859 11.67625 
1 1 1  -10   11   13 o  496.952   6.6563  667.879   17.871  673.569   25.576  662.451   24.981  499.015   9.4847  494.888   9.3416 4.126923 13.31260 
1 1 1  -10   11   14 o  795.703   9.8484  1714.26   42.339  1693.59   59.269  1735.79   60.504  790.815   13.870  800.590   13.986 -9.775024 19.69685 
1 1 1  -10   11   15 o  640.989   11.489  1111.72   39.794   0.0000   0.0000  1111.72   39.794  ?   ?   640.989   11.489      ?      ? 
1 1 1  -10   11   16 o  808.147   9.9752  1768.01   43.557  1749.90   61.070  1786.76   62.141  803.941   14.058  812.352   14.156 -8.410828 19.95036 
1 1 1  -10   11   17 o  705.181   8.8410  1345.50   33.686  1330.56   47.219  1360.98   48.070  701.200   12.462  709.162   12.544 -7.962463 17.68205 
1 1 1  -10   11   18 o  437.940   6.1288  518.600   14.503  515.754   20.587  521.404   20.434  436.745   8.7232  439.135   8.6113 -2.389709 12.25759 
1 1 1  -10   11   19 o  267.470   5.0442  193.389   7.2875  193.100   10.452  193.661   10.166  267.274   7.2371  267.666   7.0286 -0.3917542 10.08846 
1 1 1  -10   11   20 o  583.458   7.5677  920.267   23.849  933.478   34.338  907.957   33.148  587.495   10.816  579.421   10.587 8.074463 15.13541 
1 1 1  -10   11   21 o  821.968   10.141  1828.28   45.039  1812.67   63.300  1844.28   64.096  818.418   14.313  825.519   14.369 -7.100769 20.28120 
1 1 1  -10   11   22 o  324.112   5.3117  284.039   9.2998  278.761   13.237  289.183   13.068  321.136   7.6280  327.089   7.3938 -5.952728 10.62331 
1 1 1  -10   11   23 o  544.617   10.158  802.060   29.893   0.0000   0.0000  802.060   29.893  ?   ?   544.617   10.158      ?      ? 
1 1 1  -10   11   24 o  1156.13   13.955  3621.56   87.148  3555.70  121.213  3692.03  125.384  1145.29   19.586  1166.98   19.883 -21.69019 27.90986 
1 1 1  -10   11   25 o  149.094   6.1631   60.548   4.9035   56.930   7.4198   63.354   6.5336  145.101   9.4632  153.087   7.8982 -7.986023 12.32611 
1 1 1  -10   11   26 f  555.014   7.3159  833.031   21.941  825.941   30.928  840.214   31.131  552.636   10.357  557.392   10.336 -4.755615 14.63190 
1 1 1  -10   11   27 o   64.840   12.722   11.737   4.6176   11.157   6.6501   12.277   6.4166   63.512   18.347   66.168   17.629 -2.655437 25.44409 
1 1 1  -10   11   28 o  225.654   5.5647  137.669   6.7847  135.386   9.5887  139.959   9.6013  223.779   7.9296  227.530   7.8092 -3.750504 11.12935 
1 1 1  -10   11   29 o  724.906   9.1249  1422.48   35.743  1419.33   50.615  1425.61   50.482  724.103   12.936  725.708   12.873 -1.604919 18.24972 
1 1 1  -10   11   30 o  237.735   5.8609  152.830   7.5289  152.867   10.684  152.793   10.611  237.763   8.3159  237.707   8.2610 0.5581665E-01 11.72174 
1 1 1  -10   11   31 o  508.664   7.0475  699.655   19.368  683.825   27.113  716.148   27.676  502.790   9.9794  514.538   9.9539 -11.74716 14.09498 
1 1 1  -10   11   32 o  713.665   9.0645  1377.85   34.940  1342.34   48.508  1416.13   50.369  704.127   12.749  723.204   12.889 -19.07764 18.12894 
1 1 1  -10   11   33 o  704.277   8.9845  1342.81   34.188  1320.12   47.938  1366.29   48.772  698.226   12.706  710.328   12.706 -12.10236 17.96906 
1 1 1  -10   11   34 o  792.018   9.9376  1693.63   42.428  1619.13   57.612  1781.91   62.716  773.096   13.791  810.941   14.312 -37.84589 19.87526 
1 1 1  -10   11   35 o  374.878   6.1884  380.328   12.531  371.267   17.805  389.224   17.641  370.444   8.8945  379.312   8.6065 -8.868774 12.37680 
1 1 1  -10   11   36 o  290.015   8.2648  227.528   12.952   0.0000   0.0000  227.528   12.952  ?   ?   290.015   8.2648      ?      ? 
1 1 1  -10   11   37 o  574.027   7.6840  891.632   23.824  865.539   33.101  919.677   34.317  565.325   10.836  582.729   10.898 -17.40399 15.36804 
1 1 1  -10   11   38 o  124.098   9.9001   42.762   6.4640   36.724   9.9115   47.231   8.5269  116.220   15.782  131.976   11.957 -15.75663 19.80010 
1 1 1  -10   11   39 f  609.061   8.0295  1004.29   26.405  968.713   36.451  1043.57   38.302  597.742   11.285  620.380   11.426 -22.63788 16.05910 
1 1 1  -10   11   40 o  220.590   8.5208  131.055   10.117  147.297   15.041  117.635   13.672  232.986   11.947  208.194   12.152 24.79182 17.04166 
1 1 1  -10   11   41 o  167.834   9.6339   76.348   8.7214   82.297   12.771   71.149   11.939  173.942   13.587  161.725   13.662 12.21631 19.26779 
1 1 1  -10   11   42 o  145.682   10.637   57.964   8.3510   56.757   12.189   59.032   11.464  144.194   15.644  147.169   14.416 -2.974716 21.27316 
1 1 1  -10   11   43 o  592.358   7.8711  953.458   25.192  937.012   35.367  970.395   35.893  587.169   11.147  597.547   11.116 -10.37799 15.74214 
1 1 1  -10   11   44 o  459.038   8.2089  576.094   19.412  581.850   24.131  565.541   32.676  462.840   9.6486  455.236   13.283 7.604218 16.41771 
1 1 1  -10   11   45 o  271.271   8.6115  200.281   12.574  205.473   18.721  196.014   16.972  274.371   12.627  268.171   11.712 6.200317 17.22292 
1 1 1  -10   11   46 o  143.694   11.471   55.213   8.7716   66.486   13.961   47.860   11.275  155.413   16.624  131.975   15.810 23.43764 22.94180 
1 1 1  -10   11   47 o  358.796   7.5760  347.598   13.417  359.685   24.816  342.607   15.948  362.496   12.669  355.097   8.3115 7.399048 15.15200 
1 1 1  -10   11   48 o   81.197   13.185   18.843   5.6439   21.764   8.5220   16.560   7.5327   86.774   18.724   75.619   18.570 11.15504 26.37095 
1 1 1  -10   11   49 o  188.013   6.5159   96.072   6.5979   99.352   9.8014   93.355   8.9222  190.889   9.5021  185.138   8.9184 5.750977 13.03181 
1 1 1  -10   11   50 o  183.281   6.7068   91.679   6.6156   92.051   9.8124   91.369   8.9577  183.538   9.8938  183.024   9.0573 0.5140228 13.41350 
1 1 1  -10   11   51 o   42.634   13.054  -0.3995   5.5151  -0.8918   8.2810  -0.0071   7.3933   43.236   18.849   42.031   18.066 1.204384 26.10891 
1 1 1  -10   11   52 o  135.976   10.262   50.479   7.2571   47.898   9.0098   55.248   12.245  131.609   12.669  140.344   16.147 -8.734604 20.52395 
1 1 1  -10   11   53 o  188.161   9.2264   97.033   9.3810   0.0000   0.0000   97.033   9.3810  ?   ?   188.161   9.2264      ?      ? 
1 1 1  -10   11   54 o  221.864   7.9847  134.915   8.5846  139.031   16.322  133.340   10.094  223.049   13.542  220.678   8.4644 2.371307 15.96939 
1 1 1  -10   11   55 o  156.751   7.6300   66.998   6.3824   74.453   10.017   61.902   8.2813  163.792   11.317  149.709   10.237 14.08313 15.25997 
1 1 1  -10   11   56 o   89.033   12.661   24.786   5.8333   16.654   9.0128   30.648   7.6523   73.707   21.379  104.360   13.570 -30.65351 25.32185 
1 1 1  -10   11   57 o  181.476   6.9141   90.106   6.7276   99.242   10.326   83.367   8.8682  189.238   10.098  173.714   9.4474 15.52382 13.82813 
1 1 1  -10   11   58 o  163.952   7.4262   76.163   6.4473   65.789   9.6798   84.435   8.6438  153.152   11.696  174.752   9.1536 -21.59933 14.85247 
1 1 1  -10   11   59 o  172.599   7.1479   81.929   6.5954   89.821   10.259   76.369   8.6108  179.349   10.586  165.849   9.6082 13.50044 14.29586 
1 1 1  -10   11   60 o  147.052   7.9224   59.934   6.2521   68.907   9.5198   53.128   8.2908  156.575   11.252  137.529   11.156 19.04581 15.84482 
1 1 1  -10   11   61 o  186.873   7.1397   97.500   7.1569   99.681   10.839   95.814   9.5296  188.357   10.649  185.388   9.5127 2.969360 14.27937 
1 1 1  -10   11   62 o  127.452   9.6773   47.462   6.6285   47.388   9.8770   47.523   8.9410  126.840   14.411  128.064   12.920 -1.224243 19.35454 
1 1 1  -10   11   63 o   94.787   13.104   28.031   6.5393   39.275   9.6603   18.522   8.8842  114.881   15.562   74.693   21.088 40.18777 26.20793 
1 1 1  -10   11   64 o   46.003   13.875   2.5371   6.1793  -0.8794   9.4440   5.0948   8.1713   43.364   19.449   48.643   19.795 -5.279118 27.75067 
1 1 1  -10   11   65 o  156.284   8.4131   72.531   7.0588   69.301   10.415   75.276   9.5999  152.144   12.668  160.424   11.074 -8.279984 16.82622 
1 1 1  -10   11   66 o  161.589   8.5636   76.842   7.4449   78.122   11.080   75.788   10.052  162.214   12.640  160.964   11.557 1.249802 17.12720 
1 1 1  -10   12    1 o  702.458   8.8268  1335.95   33.505  1339.53   47.561  1332.43   47.206  703.388   12.513  701.528   12.453 1.859314 17.65366 
1 1 1  -10   12    2 o  387.515   5.7616  406.081   12.062  406.350   17.237  405.822   16.885  387.637   8.2292  387.392   8.0662 0.2451782 11.52314 
1 1 1  -10   12    3 o  652.176   8.2733  1150.05   29.130  1178.96   42.276  1123.91   40.196  659.956   11.855  644.396   11.544 15.56061 16.54658 
1 1 1  -10   12    4 o  628.318   8.0391  1068.39   27.292  1073.33   38.904  1063.60   38.297  629.743   11.432  626.894   11.305 2.849060 16.07824 
1 1 1  -10   12    5 f  614.006   9.8466  986.419   29.407  1101.13   56.775  944.362   34.378  637.255   16.488  590.757   10.769 46.49835 19.69317 
1 1 1  -10   12    6 o  581.450   10.762  915.274   33.779  935.811   49.118  896.847   46.527  587.603   15.469  575.297   14.967 12.30530 21.52444 
1 1 1  -10   12    7 o  541.422   10.149  794.152   29.692  793.018   42.135  795.270   41.849  541.032   14.412  541.812   14.294 -0.7797241 20.29837 
1 1 1  -10   12    8 o  105.684   10.686   29.476   6.0164   37.275   9.3603   23.986   7.8536  117.291   14.768   94.077   15.449 23.21422 21.37227 
1 1 1  -10   12    9 o  491.005   9.3858  652.103   24.903   0.0000   0.0000  652.103   24.903  ?   ?   491.005   9.3858      ?      ? 
1 1 1  -10   12   10 o  399.109   5.8064  430.771   12.521  426.781   17.793  434.685   17.623  397.275   8.2883  400.943   8.1339 -3.668365 11.61277 
1 1 1  -10   12   11 o  514.414   9.6559  715.734   26.841   0.0000   0.0000  715.734   26.841  ?   ?   514.414   9.6559      ?      ? 
1 1 1  -10   12   12 o  225.289   4.9638  137.446   6.0285  133.082   8.7482  141.392   8.3192  221.872   7.2967  228.705   6.7316 -6.832794 9.927560 
1 1 1  -10   12   14 o  208.752   5.1992  117.314   5.8442  123.412   8.7134  112.326   7.8794  213.660   7.5470  203.844   7.1533 9.815964 10.39845 
1 1 1  -10   12   15 f  453.059   6.2935  555.037   15.407  553.068   21.829  556.992   21.750  452.257   8.9321  453.861   8.8686 -1.604370 12.58704 
1 1 1  -10   12   16 o  685.280   8.6509  1270.40   32.031  1254.78   44.887  1286.60   45.721  680.992   12.198  689.568   12.270 -8.576294 17.30179 
1 1 1  -10   12   17 o  1041.49   12.637  2938.46   71.108  2903.06   99.415  2975.53  101.749  1035.09   17.774  1047.90   17.969 -12.80652 25.27441 
1 1 1  -10   12   18 o  407.459   5.9394  448.811   13.076  440.645   18.424  457.099   18.561  403.724   8.4454  411.195   8.3535 -7.471069 11.87876 
1 1 1  -10   12   19 o  604.422   7.8083  987.970   25.502  979.902   35.953  996.140   36.178  601.938   11.053  606.906   11.032 -4.967957 15.61652 
1 1 1  -10   12   20 o  548.662   10.179  813.986   30.177   0.0000   0.0000  813.986   30.177  ?   ?   548.662   10.179      ?      ? 
1 1 1  -10   12   21 o  150.302   5.9417   60.995   4.8148   62.154   7.0795   59.998   6.5675  151.626   8.6406  148.978   8.1581 2.648041 11.88334 
1 1 1  -10   12   22 o  1050.15   12.731  2987.79   72.244  2971.73  101.766  3004.11  102.576  1047.31   17.982  1052.99   18.027 -5.684204 25.46257 
1 1 1  -10   12   23 o  1199.61   14.450  3902.07   93.665  3876.82  131.762  3927.86  133.174  1195.70   20.393  1203.52   20.478 -7.826294 28.89998 
1 1 1  -10   12   24 o  659.532   8.4085  1176.05   29.957  1151.89   41.703  1201.81   43.060  652.541   11.827  666.524   11.955 -13.98340 16.81697 
1 1 1  -10   12   25 f  440.157   6.2781  523.193   14.923  506.180   20.657  541.761   21.581  432.684   8.8350  447.631   8.9220 -14.94632 12.55629 
1 1 1  -10   12   26 o  748.011   9.3735  1513.35   37.873  1482.63   52.655  1546.29   54.513  740.159   13.165  755.864   13.347 -15.70514 18.74708 
1 1 1  -10   12   27 o  569.952   7.5311  875.934   23.149  835.443   31.553  923.134   34.067  555.742   10.507  584.162   10.792 -28.41998 15.06216 
1 1 1  -10   12   28 o  538.991   7.2615  785.931   21.148  781.659   29.999  790.151   29.818  537.531   10.328  540.451   10.210 -2.919800 14.52300 
1 1 1  -10   12   29 o  613.063   8.0137  1016.22   26.535  990.513   36.837  1043.94   38.255  605.018   11.268  621.109   11.398 -16.09119 16.02735 
1 1 1  -10   12   30 o  524.390   7.2028  743.888   20.409  735.266   28.823  752.557   28.902  521.340   10.231  527.440   10.141 -6.100464 14.40552 
1 1 1  -10   12   31 o  938.221   11.547  2386.70   58.539  2391.55   83.156  2381.93   82.422  939.155   16.386  937.288   16.273 1.867065 23.09380 
1 1 1  -10   12   32 o  495.784   7.0340  662.620   18.808  625.584   25.656  705.652   27.655  480.866   9.8735  510.702   10.021 -29.83603 14.06798 
1 1 1  -10   12   33 o  365.178   6.2596  360.874   12.341  356.510   17.774  364.937   17.149  363.036   9.0602  367.321   8.6397 -4.285492 12.51921 
1 1 1  -10   12   34 o  879.808   10.904  2098.79   51.820  2055.73   72.035  2144.98   74.601  870.486   15.314  889.130   15.527 -18.64325 21.80860 
1 1 1  -10   12   35 o  615.586   8.1187  1026.30   27.006  1017.09   38.175  1035.53   38.209  612.816   11.528  618.357   11.435 -5.540955 16.23741 
1 1 1  -10   12   36 o  476.073   6.8783  612.977   17.686  589.870   24.590  637.739   25.456  466.786   9.7489  485.361   9.7059 -18.57492 13.75668 
1 1 1  -10   12   37 o  413.039   6.4026  462.108   14.283  452.567   20.371  471.336   20.033  408.827   9.2211  417.251   8.8850 -8.423828 12.80517 
1 1 1  -10   12   38 o  394.522   6.3008  421.736   13.415  415.168   19.381  427.778   18.588  391.546   9.1603  397.497   8.6539 -5.950928 12.60161 
1 1 1  -10   12   39 o  286.881   8.1778  223.046   12.624  225.676   18.782  220.878   17.050  288.371   12.053  285.390   11.056 2.981506 16.35563 
1 1 1  -10   12   40 o  208.553   8.5934  117.743   9.6431  122.365   14.424  114.009   12.967  212.200   12.579  204.905   11.711 7.294617 17.18677 
1 1 1  -10   12   41 o  293.550   7.0049  232.210   10.767  227.568   13.572  240.090   17.684  289.761   8.6677  297.340   11.007 -7.578094 14.00975 
1 1 1  -10   12   42 o  360.365   6.0866  352.517   11.838  338.936   16.931  365.507   16.558  353.528   8.8627  367.201   8.3450 -13.67337 12.17321 
1 1 1  -10   12   43 o   47.274   14.620  -2.4499   6.8932  -4.6071   8.7015   1.1849   11.295   40.765   18.441   53.783   22.692 -13.01800 29.24065 
1 1 1  -10   12   44 o  285.915   8.7359  220.747   13.424  246.396   20.305  200.833   17.891  300.484   12.505  271.347   12.202 29.13672 17.47176 
1 1 1  -10   12   45 o  222.326   9.1619  135.887   10.918  127.072   16.174  143.266   14.798  215.477   13.891  229.176   11.950 -13.69974 18.32381 
1 1 1  -10   12   46 o  133.438   11.868   55.091   7.1503   37.973   12.717   63.006   8.6466  114.840   21.276  152.037   10.525 -37.19684 23.73678 
1 1 1  -10   12   47 o  463.935   6.7320  586.151   16.854  591.225   24.532  581.616   23.194  465.742   9.7476  462.128   9.2879 3.614624 13.46405 
1 1 1  -10   12   48 o  198.847   6.5775  108.254   7.0202  102.688   10.386  112.936   9.5257  194.005   9.9071  203.689   8.6545 -9.684250 13.15491 
1 1 1  -10   12   49 o  367.024   6.1181  367.395   12.117  358.589   17.473  375.555   16.818  362.688   8.9153  371.360   8.3811 -8.672363 12.23624 
1 1 1  -10   12   50 o  142.879   8.2828   56.637   6.3036   52.938   9.5727   59.469   8.3759  138.479   12.793  147.280   10.524 -8.801147 16.56559 
1 1 1  -10   12   51 o  308.457   7.2916  262.452   11.627  266.167   14.538  255.856   19.372  312.206   8.6171  304.710   11.765 7.495911 14.58326 
1 1 1  -10   12   52 o  224.486   7.7338  135.037   9.0462  125.446   11.217  152.883   15.300  213.847   9.7068  235.124   12.043 -21.27686 15.46756 
1 1 1  -10   12   53 o  237.285   7.8891  155.110   9.0774  156.802   17.159  154.452   10.697  236.998   13.398  237.571   8.3325 -0.5731659 15.77812 
1 1 1  -10   12   54 o  234.307   6.4122  152.700   8.0099  134.219   11.836  168.315   10.880  220.681   9.9256  247.934   8.1207 -27.25322 12.82434 
1 1 1  -10   12   55 o  309.779   6.0432  264.189   10.081  253.222   14.686  273.963   13.863  303.439   8.9563  316.119   8.1157 -12.67969 12.08638 
1 1 1  -10   12   56 o  145.225   8.0940   58.749   6.2742   59.143   9.6596   58.462   8.2518  145.296   12.303  145.153   10.520 0.1429291 16.18791 
1 1 1  -10   12   57 f   61.691   13.955   11.411   5.6359   5.2268   8.7271   15.836   7.3816   51.503   20.634   71.879   18.793 -20.37522 27.90975 
1 1 1  -10   12   58 o   63.176   13.968   12.284   5.7445   5.2817   8.9252   17.236   7.5058   51.622   20.802   74.731   18.647 -23.10944 27.93618 
1 1 1  -10   12   59 o  277.661   6.1526  213.785   9.1783  205.337   13.561  220.926   12.468  272.201   9.2196  283.121   8.1497 -10.92078 12.30522 
1 1 1  -10   12   60 o  175.782   7.4872   87.584   6.9862   81.625   10.704   92.005   9.2209  169.814   11.665  181.750   9.3888 -11.93674 14.97433 
1 1 1  -10   12   61 o  137.117   9.1687   53.072   6.7230   64.317   10.349   44.863   8.8430  149.535   12.808  124.700   13.123 24.83501 18.33743 
1 1 1  -10   12   62 o  157.003   8.4353   70.119   7.1202   77.023   10.751   64.725   9.5032  163.650   12.157  150.356   11.697 13.29352 16.87057 
1 1 1  -10   12   63 o  128.003   10.217   48.126   7.0432   46.822   10.284   49.278   9.6656  125.890   15.118  130.115   13.747 -4.224861 20.43379 
1 1 1  -10   12   64 o  202.443   7.3922  118.306   8.0712  121.009   11.831  115.953   11.039  204.264   10.718  200.621   10.183 3.643326 14.78432 
1 1 1  -10   12   65 o  164.214   8.3613   79.156   7.3140   75.524   11.134   81.912   9.7006  159.719   12.900  168.709   10.641 -8.990311 16.72259 
1 1 1  -10   12   66 o  114.525   16.606   50.110   9.8706   51.081   14.879   49.347   13.191  113.181   24.995  115.869   21.870 -2.688011 33.21267 
1 1 1  -10   13    1 o  350.260   5.4988  331.735   10.406  328.303   14.764  335.124   14.670  348.457   7.8409  352.062   7.7114 -3.605530 10.99753 
1 1 1  -10   13    2 o  610.613   9.7931  993.567   29.732  1050.68   54.620  969.521   35.443  622.622   16.235  598.603   10.957 24.01868 19.58622 
1 1 1  -10   13    3 o  239.518   7.6604  154.321   9.8386  162.162   15.017  148.423   13.023  244.802   11.352  234.234   10.289 10.56776 15.32090 
1 1 1  -10   13    4 o  555.261   10.455  834.169   31.336  854.730   45.597  815.766   43.137  561.715   15.022  548.807   14.546 12.90784 20.91049 
1 1 1  -10   13    5 o  265.382   7.5890  188.676   10.795  204.685   16.578  176.892   14.223  275.046   11.155  255.719   10.293 19.32738 15.17801 
1 1 1  -10   13    6 o  733.635   11.259  1464.39   42.362  1477.95   52.379  1438.74   72.030  738.899   13.118  728.372   18.301 10.52698 22.51706 
1 1 1  -10   13    7 o  294.065   7.3502  233.777   11.680   0.0000   0.0000  233.777   11.680  ?   ?   294.065   7.3502      ?      ? 
1 1 1  -10   13    8 o  512.057   6.8810  708.933   19.037  696.972   26.638  721.418   27.215  507.645   9.7107  516.469   9.7517 -8.823700 13.76200 
1 1 1  -10   13    9 o   79.797   15.238   17.822   6.3311   17.822   6.3311   0.0000   0.0000   79.797   15.238  ?   ?       ?      ? 
1 1 1  -10   13   10 o  486.375   6.6355  639.557   17.437  627.768   24.428  651.805   24.898  481.807   9.3828  490.944   9.3851 -9.137329 13.27093 
1 1 1  -10   13   11 o  549.539   7.2805  816.079   21.608  794.082   29.975  839.877   31.178  541.840   10.238  557.239   10.354 -15.39807 14.56095 
1 1 1  -10   13   12 o  349.824   7.7582  330.839   14.666   0.0000   0.0000  330.839   14.666  ?   ?   349.824   7.7582      ?      ? 
1 1 1  -10   13   13 o  494.957   9.4468  662.466   25.266   0.0000   0.0000  662.466   25.266  ?   ?   494.957   9.4468      ?      ? 
1 1 1  -10   13   14 o  596.362   7.7460  961.571   24.952  974.718   35.877  949.253   34.726  600.303   11.060  592.422   10.848 7.881226 15.49199 
1 1 1  -10   13   15 o  821.699   10.162  1827.43   45.122  1817.15   63.618  1837.83   64.008  819.374   14.369  824.023   14.375 -4.649109 20.32469 
1 1 1  -10   13   16 o  528.042   9.9382  753.948   28.357   0.0000   0.0000  753.948   28.357  ?   ?   528.042   9.9382      ?      ? 
1 1 1  -10   13   17 o  1203.45   14.497  3925.19   94.264  3886.17  132.032  3965.76  134.623  1197.37   20.406  1209.54   20.597 -12.16272 28.99428 
1 1 1  -10   13   18 o  542.782   10.158  796.635   29.793   0.0000   0.0000  796.635   29.793  ?   ?   542.782   10.158      ?      ? 
1 1 1  -10   13   19 o  998.314   12.150  2698.35   65.527  2659.84   91.424  2739.03   93.966  991.008   17.072  1005.62   17.292 -14.61261 24.29995 
1 1 1  -10   13   20 o  850.122   10.482  1956.33   48.153  1951.18   68.024  1961.50   68.173  849.000   14.828  851.244   14.821 -2.243408 20.96446 
1 1 1  -10   13   21 o  543.610   10.161  799.144   29.847   0.0000   0.0000  799.144   29.847  ?   ?   543.610   10.161      ?      ? 
1 1 1  -10   13   22 o  833.716   10.304  1881.00   46.411  1854.42   64.907  1908.81   66.389  827.697   14.512  839.735   14.631 -12.03857 20.60728 
1 1 1  -10   13   23 o  496.865   6.8215  667.455   18.313  655.560   25.720  679.686   26.082  492.375   9.6669  501.355   9.6272 -8.980103 13.64302 
1 1 1  -10   13   24 o  730.813   9.2035  1443.59   36.314  1405.61   50.109  1485.61   52.700  720.714   12.867  740.913   13.163 -20.19849 18.40697 
1 1 1  -10   13   25 o  695.263   8.8356  1307.72   33.188  1286.47   46.378  1330.02   47.513  689.481   12.448  701.046   12.542 -11.56500 17.67113 
1 1 1  -10   13   26 o  398.829   6.1430  430.171   13.236  428.409   18.879  431.874   18.563  398.022   8.7780  399.636   8.5960 -1.613983 12.28594 
1 1 1  -10   13   27 o  530.532   7.2237  761.348   20.707  748.294   29.126  774.691   29.446  525.931   10.249  535.132   10.183 -9.200623 14.44741 
1 1 1  -10   13   28 o  148.595   8.0346   59.818   6.4231   58.986   9.5056   60.517   8.7133  147.632   11.915  149.558   10.782 -1.926361 16.06928 
1 1 1  -10   13   29 f  380.189   6.1731  391.026   12.678  381.472   17.990  400.453   17.869  375.568   8.8645  384.809   8.5936 -9.241486 12.34622 
1 1 1  -10   13   30 f  587.605   11.279  934.512   35.812  934.512   35.812   0.0000   0.0000  587.605   11.279  ?   ?       ?      ? 
1 1 1  -10   13   31 o  427.192   9.4284  493.667   21.765  493.667   21.765   0.0000   0.0000  427.192   9.4284  ?   ?       ?      ? 
1 1 1  -10   13   32 o  596.512   7.9602  963.301   25.654  962.037   36.620  964.520   35.949  596.116   11.368  596.908   11.145 -0.7921143 15.92045 
1 1 1  -10   13   33 o  280.412   8.4886  212.724   12.862   0.0000   0.0000  212.724   12.862  ?   ?   280.412   8.4886      ?      ? 
1 1 1  -10   13   34 o  879.627   10.915  2098.85   51.867  2062.27   72.382  2137.46   74.360  871.769   15.365  887.485   15.506 -15.71613 21.82939 
1 1 1  -10   13   35 o  265.202   6.2988  189.740   8.9925  197.209   13.412  183.640   12.121  269.913   9.1954  260.492   8.6108 9.420929 12.59768 
1 1 1  -10   13   36 o  407.120   6.3860  448.826   14.045  434.927   19.823  462.835   19.901  400.779   9.1532  413.461   8.9076 -12.68225 12.77206 
1 1 1  -10   13   37 f   92.142   15.117   24.609   7.2170   20.124   12.536   26.833   8.8264   85.000   25.365   99.283   16.452 -14.28207 30.23341 
1 1 1  -10   13   38 o  474.230   9.5468  611.295   24.456  598.649   34.790  623.649   34.385  469.336   13.718  479.124   13.281 -9.787415 19.09365 
1 1 1  -10   13   39 o   90.173   15.270   24.053   7.8822   11.396   12.068   33.468   10.409   69.671   25.094  110.674   17.405 -41.00275 30.53924 
1 1 1  -10   13   40 o  362.326   6.1910  355.943   12.116  343.620   17.122  368.305   17.148  356.023   8.8997  368.629   8.6086 -12.60620 12.38193 
1 1 1  -10   13   41 o   44.891   13.354  -1.5559   5.6561   5.4255   8.9638  -6.1745   7.2907   54.825   21.229   34.957   16.204 19.86800 26.70716 
1 1 1  -10   13   42 o  292.244   7.6330  232.820   11.359  233.922   13.926  230.631   19.632  293.603   8.7778  290.884   12.490 2.719147 15.26606 
1 1 1  -10   13   43 o   72.138   17.215   13.187   8.2159   7.6464   11.504   18.955   11.737   62.617   24.105   81.659   24.584 -19.04228 34.43016 
1 1 1  -10   13   44 o   69.334   16.263   8.1039   8.6398  -7.3941   12.037   24.572   12.408   46.758   21.361   91.909   24.528 -45.15088 32.52549 
1 1 1  -10   13   45 o  166.970   9.2529   77.828   7.4923   72.905   13.900   79.844   8.8950  162.660   15.815  171.280   9.6106 -8.620041 18.50579 
1 1 1  -10   13   46 o  173.443   7.0936   82.633   6.5487   78.215   10.018   85.930   8.6539  169.211   10.956  177.674   9.0137 -8.462585 14.18723 
1 1 1  -10   13   47 f  309.622   5.9628  261.272   9.9516  253.741   14.466  268.037   13.711  305.291   8.7691  313.953   8.0821 -8.661621 11.92554 
1 1 1  -10   13   48 o  239.441   6.0786  156.373   7.8222  154.166   11.639  158.192   10.563  237.791   9.0582  241.092   8.1084 -3.301346 12.15719 
1 1 1  -10   13   49 o   46.076   13.551   1.9743   5.5075   1.3938   8.6352   2.3723   7.1507   47.145   19.864   45.007   18.439 2.138355 27.10298 
1 1 1  -10   13   50 o  215.113   6.5374  126.988   7.5647  120.809   11.067  132.406   10.364  210.039   9.7508  220.186   8.7105 -10.14732 13.07485 
1 1 1  -10   13   51 o  221.844   8.0270  133.729   9.1550  129.478   11.248  142.072   15.759  217.337   9.5773  226.351   12.884 -9.014130 16.05392 
1 1 1  -10   13   52 o  188.532   8.7821   96.339   8.0512  104.392   15.398   93.308   9.4452  192.740   14.784  184.323   9.4829 8.416779 17.56416 
1 1 1  -10   13   53 o  192.635   8.6630  102.844   8.1254  104.144   15.249  102.329   9.6021  192.271   14.677  192.999   9.2071 -0.7276611 17.32594 
1 1 1  -10   13   54 o  259.222   6.0911  185.423   8.4702  175.994   12.564  193.279   11.468  252.859   9.1951  265.585   7.9912 -12.72591 12.18229 
1 1 1  -10   13   55 o  207.750   6.6025  118.653   7.3189  121.348   11.331  116.724   9.5869  209.453   10.012  206.047   8.6105 3.405960 13.20509 
1 1 1  -10   13   56 f   66.018   13.548   11.308   5.6891   22.700   8.8489   3.2821   7.4276   85.990   19.494   46.047   18.821 39.94319 27.09654 
1 1 1  -10   13   57 o  278.399   6.0908  214.561   9.1295  205.022   13.297  223.065   12.557  272.230   9.0395  284.569   8.1657 -12.33890 12.18161 
1 1 1  -10   13   58 o   38.831   12.455  -2.9818   5.6073  -3.4764   8.5911  -2.6147   7.4012   39.917   18.162   37.744   17.047 2.173656 24.90915 
1 1 1  -10   13   59 o  172.986   7.3718   83.440   6.8324   87.058   10.446   80.735   9.0326  175.901   10.990  170.071   9.8287 5.830856 14.74358 
1 1 1  -10   13   60 o   75.780   14.315   19.226   6.2605   12.104   9.6651   24.374   8.2175   62.725   22.471   88.835   17.740 -26.11019 28.62936 
1 1 1  -10   13   61 o  110.633   11.648   36.179   6.5872   50.691   10.236   25.922   8.6058  130.949   14.466   90.316   18.261 40.63364 23.29673 
1 1 1  -10   13   62 o  119.510   10.673   42.456   6.8049   39.859   10.236   44.514   9.1095  115.269   16.433  123.752   13.623 -8.482697 21.34525 
1 1 1  -10   13   63 o  153.354   8.8895   69.180   7.2995   65.576   10.872   72.138   9.8498  148.770   13.524  157.938   11.541 -9.168015 17.77905 
1 1 1  -10   13   64 o   42.703   13.331  -1.1413   6.6014 -11.1270   9.9577   6.6884   8.8174   35.155   17.023   50.250   20.519 -15.09558 26.66106 
1 1 1  -10   13   65 o  106.358   17.579   44.491   9.9064   42.950   14.724   45.766   13.390  102.007   26.480  110.709   23.128 -8.702385 35.15854 
1 1 1  -10   14    1 o  769.042   13.708  1602.88   56.936  1568.69   78.985  1639.86   82.148  760.537   19.219  777.547   19.552 -17.01019 27.41611 
1 1 1  -10   14    2 o  349.688   8.3677  330.124   15.785  343.018   23.149  318.919   21.580  356.047   12.032  343.329   11.632 12.71838 16.73550 
1 1 1  -10   14    3 o  625.881   9.8688  1075.10   32.184  1119.85   40.938  1002.70   52.076  643.344   11.776  608.417   15.840 34.92694 19.73752 
1 1 1  -10   14    4 o  328.595   7.8735  291.912   13.980  291.912   13.980   0.0000   0.0000  328.595   7.8735  ?   ?       ?      ? 
1 1 1  -10   14    5 o  201.760   5.4016  110.047   5.8833  103.647   8.2586  116.641   8.3832  195.802   7.8055  207.719   7.4688 -11.91673 10.80314 
1 1 1  -10   14    6 o  520.680   9.8497  733.193   27.713   0.0000   0.0000  733.193   27.713  ?   ?   520.680   9.8497      ?      ? 
1 1 1  -10   14    7 f  342.084   5.6022  316.194   10.349  320.821   14.955  311.943   14.336  344.481   8.0338  339.687   7.8100 4.793884 11.20437 
1 1 1  -10   14    8 o  636.419   8.1915  1095.73   28.170  1089.83   39.852  1101.62   39.826  634.704   11.620  638.134   11.550 -3.429443 16.38310 
1 1 1  -10   14    9 o  879.946   15.344  2096.61   72.959   0.0000   0.0000  2096.61   72.959  ?   ?   879.946   15.344      ?      ? 
1 1 1  -10   14   10 o  607.970   7.9227  999.726   26.024  1003.18   37.163  996.401   36.455  608.996   11.293  606.945   11.115 2.051147 15.84538 
1 1 1  -10   14   11 o  556.817   7.3888  838.466   22.230  839.205   31.625  837.744   31.255  557.057   10.506  556.577   10.392 0.4797363 14.77763 
1 1 1  -10   14   12 o  484.451   6.6951  634.542   17.526  627.731   24.706  641.441   24.866  481.833   9.4888  487.068   9.4477 -5.234772 13.39017 
1 1 1  -10   14   14 o  597.806   7.7885  966.420   25.159  956.858   35.448  976.125   35.714  594.826   11.029  600.786   11.001 -5.960144 15.57710 
1 1 1  -10   14   15 o  507.909   6.9234  697.202   18.997  682.021   26.524  713.192   27.222  502.235   9.7734  513.583   9.8089 -11.34717 13.84680 
1 1 1  -10   14   16 f  473.815   6.6264  606.303   16.956  585.285   23.504  629.110   24.484  465.264   9.3489  482.367   9.3934 -17.10303 13.25282 
1 1 1  -10   14   17 f  907.903   11.146  2231.59   54.680  2212.80   76.782  2250.91   77.888  904.033   15.718  911.773   15.809 -7.740356 22.29253 
1 1 1  -10   14   18 o  720.927   9.0887  1406.26   35.406  1403.35   50.070  1409.18   50.074  720.178   12.866  721.675   12.841 -1.497192 18.17745 
1 1 1  -10   14   19 o  591.684   7.7378  946.889   24.740  942.182   35.001  951.588   34.974  590.213   10.974  593.155   10.911 -2.942261 15.47569 
1 1 1  -10   14   20 o  420.743   6.1916  478.343   14.070  486.766   20.285  470.535   19.532  424.307   8.8473  417.179   8.6642 7.128143 12.38318 
1 1 1  -10   14   21 o  466.158   6.5945  587.489   16.610  579.688   23.323  595.519   23.661  463.018   9.3219  469.297   9.3303 -6.279480 13.18905 
1 1 1  -10   14   22 o  312.677   5.6881  264.450   9.6054  258.656   13.712  270.032   13.460  309.309   8.2039  316.046   7.8813 -6.736633 11.37622 
1 1 1  -10   14   24 o  629.194   8.1831  1071.11   27.820  1056.15   39.076  1086.49   39.617  624.739   11.575  633.649   11.570 -8.910034 16.36625 
1 1 1  -10   14   25 o  931.697   11.471  2352.14   57.740  2317.90   80.677  2388.10   82.673  924.761   16.145  938.632   16.300 -13.87122 22.94207 
1 1 1  -10   14   26 o  609.292   8.0648  1004.25   26.548  983.562   37.166  1025.80   37.936  602.887   11.408  615.697   11.402 -12.80994 16.12956 
1 1 1  -10   14   27 o  394.261   8.9041  420.384   18.970   0.0000   0.0000  420.384   18.970  ?   ?   394.261   8.9041      ?      ? 
1 1 1  -10   14   28 o  777.566   9.8116  1636.01   41.198  1590.56   57.007  1685.70   59.605  766.288   13.767  788.843   13.983 -22.55481 19.62311 
1 1 1  -10   14   29 o  400.837   6.5792  434.552   14.249  440.091   20.308  429.181   19.998  403.352   9.3175  398.322   9.2911 5.029846 13.15833 
1 1 1  -10   14   30 o  159.195   8.8188   69.963   7.4339   59.497   11.127   78.400   9.9907  148.190   13.895  170.201   10.863 -22.01100 17.63766 
1 1 1  -10   14   31 o  195.072   7.4534  103.618   7.8035   96.386   11.469  109.853   10.648  188.671   11.249  201.474   9.7809 -12.80287 14.90672 
1 1 1  -10   14   32 o  383.680   6.4070  398.441   13.277  383.116   18.755  413.835   18.797  376.272   9.2242  391.088   8.8946 -14.81543 12.81407 
1 1 1  -10   14   33 f  701.088   9.0127  1331.97   34.141  1312.55   47.865  1352.09   48.710  695.890   12.729  706.287   12.763 -10.39728 18.02545 
1 1 1  -10   14   34 o  514.621   7.2099  717.421   20.047  704.331   28.362  730.490   28.339  509.917   10.293  519.325   10.098 -9.408295 14.41974 
1 1 1  -10   14   35 o  444.572   6.6824  534.544   16.039  504.646   22.264  566.799   23.125  431.656   9.5452  457.488   9.3544 -25.83167 13.36474 
1 1 1  -10   14   36 o  121.138   14.462   40.445   9.0851   42.297   14.368   39.212   11.727  122.368   22.561  119.908   18.099 2.460915 28.92309 
1 1 1  -10   14   37 o  458.722   9.4322  572.182   23.367  556.081   33.280  587.838   32.816  452.298   13.617  465.147   13.056 -12.84900 18.86436 
1 1 1  -10   14   38 o  172.468   10.430   84.096   9.2682   69.122   14.746   93.874   11.916  159.043   17.159  185.893   11.863 -26.84988 20.85998 
1 1 1  -10   14   39 o  331.557   6.0935  298.465   10.896  287.938   15.728  308.180   15.110  325.887   8.9314  337.228   8.2916 -11.34073 12.18690 
1 1 1  -10   14   40 o  210.192   6.6922  118.799   7.5451  128.643   11.542  111.454   9.9701  217.691   9.8123  202.693   9.1028 14.99858 13.38439 
1 1 1  -10   14   41 o  182.285   9.2938   90.969   8.7469   91.678   10.897   89.685   14.665  183.561   10.986  181.008   14.993 2.552444 18.58758 
1 1 1  -10   14   42 o  208.049   9.5683  118.325   10.755  120.878   15.236  115.788   15.185  210.309   13.407  205.789   13.655 4.519379 19.13654 
1 1 1  -10   14   43 o  163.965   10.901   74.003   9.6264   67.635   13.680   80.248   13.548  156.835   16.142  171.096   14.654 -14.26080 21.80168 
1 1 1  -10   14   44 o  190.690   8.2914   91.780   7.6030  116.284   15.324   83.779   8.7567  205.891   13.774  175.490   9.2343 30.40163 16.58271 
1 1 1  -10   14   45 o  327.303   6.0232  290.762   10.589  296.925   15.944  285.900   14.163  330.290   8.9334  324.316   8.0815 5.974152 12.04644 
1 1 1  -10   14   46 o  116.619   9.5244   37.281   5.9846   39.020   8.8765   35.832   8.1033  119.053   13.798  114.185   13.133 4.867447 19.04884 
1 1 1  -10   14   47 o  438.208   6.6026  524.043   15.628  510.213   22.185  537.667   22.019  432.395   9.4950  444.021   9.1772 -11.62604 13.20512 
1 1 1  -10   14   48 o  257.324   6.1316  180.547   8.4879  181.940   12.634  179.402   11.460  258.113   9.0579  256.535   8.2667 1.578339 12.26314 
1 1 1  -10   14   49 o  584.292   7.9571  938.946   25.116  940.450   35.953  937.513   35.101  584.631   11.381  583.952   11.124 0.6782227 15.91421 
1 1 1  -10   14   50 o  310.801   7.6233  267.723   12.204  272.547   15.211  259.009   20.445  315.640   8.9184  305.962   12.366 9.678040 15.24661 
1 1 1  -10   14   51 o  257.277   7.9121  189.359   10.005  166.464   17.794  199.943   12.098  244.204   13.484  270.351   8.2812 -26.14630 15.82422 
1 1 1  -10   14   52 o  132.995   10.921   49.191   7.1161   52.027   13.333   48.062   8.4149  134.406   18.357  131.583   11.835 2.823196 21.84159 
1 1 1  -10   14   53 o  155.665   7.9387   66.824   6.6488   72.367   9.9874   62.412   8.9101  161.334   11.456  149.995   10.993 11.33871 15.87734 
1 1 1  -10   14   54 o   86.016   12.724   21.307   5.8289   28.696   8.9237   15.807   7.6981   99.923   16.527   72.109   19.352 27.81364 25.44892 
1 1 1  -10   14   55 o  227.296   6.3599  143.890   7.7331  127.555   11.295  158.302   10.610  214.631   9.7389  239.961   8.1823 -25.32968 12.71988 
1 1 1  -10   14   56 o  127.012   9.1510   45.327   6.2044   48.016   9.6527   43.434   8.0992  129.814   13.761  124.210   12.067 5.603653 18.30208 
1 1 1  -10   14   57 o  104.160   11.260   30.769   6.0311   42.456   9.4359   22.696   7.8421  121.688   14.350   86.632   17.357 35.05602 22.52064 
1 1 1  -10   14   58 o  218.120   6.8169  132.766   7.9836  130.280   11.911  134.794   10.758  215.863   10.211  220.377   9.0342 -4.514267 13.63380 
1 1 1  -10   14   59 o   47.793   13.953   1.7490   6.1669   9.2102   9.2473  -4.2270   8.2760   57.591   21.745   37.996   17.489 19.59500 27.90515 
1 1 1  -10   14   60 o  234.422   6.7326  154.247   8.5024  157.323   12.571  151.654   11.543  236.256   9.8471  232.588   9.1840 3.668213 13.46521 
1 1 1  -10   14   61 o   81.565   15.141   21.992   6.7458   24.234   9.9911   20.113   9.1449   85.272   21.645   77.858   21.176 7.414276 30.28112 
1 1 1  -10   14   62 o  135.510   10.223   55.133   7.3452   46.018   10.709   63.229   10.093  123.386   16.062  147.635   12.652 -24.24911 20.44681 
1 1 1  -10   14   63 o  190.244   7.9056  105.800   8.0857  107.066   12.069  104.768   10.891  190.552   11.721  189.935   10.612 0.6173859 15.81111 
1 1 1  -10   14   64 o   68.369   18.348   18.142   9.4192   25.158   14.245   12.691   12.556   76.499   27.294   60.238   24.528 16.26059 36.69584 
1 1 1  -10   15    1 o  740.379   13.160  1483.22   52.650   0.0000   0.0000  1483.22   52.650  ?   ?   740.379   13.160      ?      ? 
1 1 1  -10   15    2 o  992.592   12.124  2667.37   65.009  2622.45   90.544  2715.15   93.395  983.989   17.029  1001.20   17.263 -17.20599 24.24855 
1 1 1  -10   15    3 o  419.830   6.2124  476.321   14.090  464.722   19.695  488.482   20.167  414.597   8.7912  425.064   8.7800 -10.46698 12.42472 
1 1 1  -10   15    4 o  313.861   5.5522  266.269   9.4155  267.762   13.430  264.825   13.204  314.725   7.8967  312.997   7.8070 1.728577 11.10435 
1 1 1  -10   15    5 f  376.931   5.8637  383.848   11.933  389.663   17.283  378.551   16.497  379.654   8.4245  374.208   8.1585 5.445801 11.72742 
1 1 1  -10   15    6 o  1168.65   14.128  3701.98   89.216  3706.78  126.442  3697.23  125.900  1169.40   20.010  1167.90   19.949 1.496704 28.25541 
1 1 1  -10   15    7 o  578.726   7.6300  905.624   23.857  911.997   34.106  899.519   33.382  580.715   10.869  576.737   10.711 3.978455 15.25992 
1 1 1  -10   15    8 o  264.289   7.5971  188.805   10.850   0.0000   0.0000  188.805   10.850  ?   ?   264.289   7.5971      ?      ? 
1 1 1  -10   15    9 o  613.804   7.9922  1018.81   26.507  1007.31   37.233  1030.64   37.745  610.291   11.290  617.318   11.315 -7.026550 15.98449 
1 1 1  -10   15   10 o  471.336   6.6337  600.458   16.893  587.642   23.662  613.783   24.126  466.207   9.3924  476.464   9.3706 -10.25748 13.26742 
1 1 1  -10   15   11 o  659.158   8.4916  1175.27   30.244  1173.89   42.965  1176.62   42.582  658.771   12.069  659.544   11.948 -0.7729492 16.98311 
1 1 1  -10   15   12 o  303.866   5.5667  249.645   9.1377  242.336   12.916  256.969   12.929  299.410   7.9832  308.322   7.7603 -8.911530 11.13341 
1 1 1  -10   15   13 o  480.070   6.7124  622.988   17.405  628.485   25.040  617.851   24.210  482.113   9.6117  478.026   9.3723 4.087128 13.42482 
1 1 1  -10   15   14 o  555.708   7.4230  834.843   22.286  818.046   31.160  852.432   31.886  549.988   10.485  561.427   10.510 -11.43878 14.84595 
1 1 1  -10   15   15 o  978.575   11.960  2593.76   63.241  2592.67   89.573  2594.85   89.301  978.364   16.943  978.785   16.884 -0.4214478 23.91940 
1 1 1  -10   15   16 o  583.038   10.878  919.398   34.273   0.0000   0.0000  919.398   34.273  ?   ?   583.038   10.878      ?      ? 
1 1 1  -10   15   18 o  200.337   8.1067  108.501   8.7759   0.0000   0.0000  108.501   8.7759  ?   ?   200.337   8.1067      ?      ? 
1 1 1  -10   15   19 o  783.448   9.8197  1659.79   41.545  1620.01   57.514  1703.18   60.076  773.656   13.757  793.240   14.016 -19.58411 19.63933 
1 1 1  -10   15   20 o  221.977   6.1107  133.274   7.3271  130.129   10.407  136.365   10.317  219.377   8.7794  224.578   8.5019 -5.200287 12.22131 
1 1 1  -10   15   21 o  427.988   6.4273  495.346   14.864  493.682   21.013  497.012   21.030  427.268   9.1011  428.707   9.0780 -1.439392 12.85458 
1 1 1  -10   15   22 o  228.933   6.2392  141.545   7.7128  146.797   11.170  136.761   10.662  232.985   8.8726  224.882   8.7743 8.102798 12.47846 
1 1 1  -10   15   23 o  421.919   6.4922  481.336   14.798  466.834   20.761  496.315   21.099  415.457   9.2475  428.381   9.1146 -12.92358 12.98435 
1 1 1  -10   15   24 o  206.425   9.3069  115.247   10.381   0.0000   0.0000  115.247   10.381  ?   ?   206.425   9.3069      ?      ? 
1 1 1  -10   15   25 o  904.120   11.212  2213.63   54.748  2165.44   75.926  2265.83   79.016  893.901   15.719  914.338   15.993 -20.43616 22.42410 
1 1 1  -10   15   27 o  925.042   11.460  2319.39   57.267  2282.36   79.870  2358.57   82.153  917.465   16.110  932.619   16.302 -15.15350 22.91911 
1 1 1  -10   15   28 o  369.431   6.4699  368.960   12.912  357.644   18.023  380.893   18.507  363.613   9.1725  375.248   9.1272 -11.63474 12.93989 
1 1 1  -10   15   29 o  709.195   9.1708  1360.77   35.116  1316.01   48.482  1410.16   50.932  696.959   12.873  721.429   13.065 -24.46997 18.34164 
1 1 1  -10   15   30 o  698.002   9.0444  1317.63   34.071  1269.29   46.780  1372.25   49.722  684.416   12.649  711.589   12.931 -27.17285 18.08873 
1 1 1  -10   15   31 o  745.782   9.5094  1507.77   38.320  1508.45   54.526  1507.12   53.864  745.931   13.528  745.632   13.369 0.2995605 19.01875 
1 1 1  -10   15   32 f  228.163   6.9083  140.671   8.4809  143.885   12.653  138.050   11.427  230.504   10.159  225.821   9.3648 4.683777 13.81669 
1 1 1  -10   15   33 o  306.276   6.1845  254.327   10.218  245.634   14.725  262.399   14.190  301.199   9.0474  311.351   8.4342 -10.15201 12.36895 
1 1 1  -10   15   34 o  668.498   10.637  1229.21   36.659  1165.77   61.037  1265.01   45.850  654.189   17.267  682.807   12.427 -28.61810 21.27324 
1 1 1  -10   15   35 o  374.770   8.8207  381.915   17.802  372.522   26.096  390.090   24.346  370.372   13.039  379.168   11.882 -8.796326 17.64132 
1 1 1  -10   15   36 o  175.743   10.645   86.668   9.7725   71.419   15.038   97.815   12.857  161.741   17.206  189.746   12.540 -28.00494 21.29094 
1 1 1  -10   15   37 o  364.005   6.2932  359.182   12.376  357.431   17.665  360.869   17.343  363.120   9.0026  364.889   8.7959 -1.769470 12.58631 
1 1 1  -10   15   38 o  309.647   6.1469  259.780   10.274  263.304   14.915  256.597   14.174  311.624   8.8575  307.670   8.5253 3.954071 12.29372 
1 1 1  -10   15   39 o  280.102   8.1155  219.534   11.446  231.787   14.088  195.743   19.631  292.302   8.9194  267.902   13.561 24.39944 16.23108 
1 1 1  -10   15   40 o  127.897   13.712   45.426   9.4123   47.477   12.782   42.995   13.911  131.263   18.021  124.532   20.673 6.731934 27.42473 
1 1 1  -10   15   41 o  243.911   9.1886  162.039   12.092  174.505   17.594  150.878   16.648  252.801   12.880  235.021   13.109 17.77971 18.37718 
1 1 1  -10   15   42 o  414.072   9.4109  468.950   21.055  474.549   30.000  463.513   29.558  416.500   13.330  411.644   13.288 4.855743 18.82188 
1 1 1  -10   15   43 o  100.383   11.211   27.408   6.0366   31.228   9.2401   24.563   7.9735  106.373   16.075   94.394   15.632 11.97945 22.42254 
1 1 1  -10   15   44 o  415.461   6.4960  470.195   14.579  461.236   20.745  478.938   20.493  411.499   9.3293  419.424   9.0419 -7.925049 12.99199 
1 1 1  -10   15   45 o   76.788   14.199   16.812   5.9292   20.250   9.1142   14.289   7.8071   83.253   20.416   70.322   19.738 12.93121 28.39706 
1 1 1  -10   15   46 o  130.746   9.1434   47.577   6.3422   43.930   9.7209   50.281   8.3688  126.070   14.269  135.421   11.436 -9.351418 18.28682 
1 1 1  -10   15   47 f   44.592   13.182   0.5943   5.6369  -6.6311   9.0967   5.0981   7.1820   39.365   18.196   49.819   19.078 -10.45360 26.36399 
1 1 1  -10   15   48 o  229.597   6.4394  143.815   7.9367  146.653   11.978  141.594   10.597  231.470   9.5761  227.724   8.6116 3.746399 12.87876 
1 1 1  -10   15   49 o   69.209   16.996   12.795   7.5478   11.013   9.4624   15.912   12.515   63.792   22.292   74.626   25.661 -10.83381 33.99128 
1 1 1  -10   15   50 o  356.514   6.2860  346.466   12.018  363.269   18.324  333.783   15.920  363.807   9.3209  349.222   8.4365 14.58490 12.57197 
1 1 1  -10   15   51 o  103.662   13.933   31.213   6.9722   33.018   12.918   30.470   8.2821  103.312   23.650  104.011   14.736 -0.6991501 27.86539 
1 1 1  -10   15   52 o  278.254   8.2747  212.354   12.442   0.0000   0.0000  212.354   12.442  ?   ?   278.254   8.2747      ?      ? 
1 1 1  -10   15   53 o   63.609   12.674   11.264   5.9149  -4.6542   9.3081   22.044   7.6604   41.019   18.757   86.199   17.050 -45.17991 25.34788 
1 1 1  -10   15   54 o  147.599   8.2916   59.943   6.5571   70.845   10.038   51.829   8.6601  159.130   11.674  136.067   11.778 23.06331 16.58318 
1 1 1  -10   15   55 o  153.020   8.4362   67.382   6.7927   55.292   10.158   77.162   9.1358  139.479   13.478  166.560   10.151 -27.08034 16.87247 
1 1 1  -10   15   56 o  152.106   8.6251   66.686   6.9152   53.563   10.166   77.989   9.4342  137.007   13.731  167.205   10.442 -30.19823 17.25029 
1 1 1  -10   15   57 o  121.728   10.111   41.849   6.5256   54.771   9.9414   32.066   8.6499  138.434   13.290  105.023   15.242 33.41135 20.22209 
1 1 1  -10   15   58 o  177.975   7.5614   90.062   7.1432   82.306   10.870   95.957   9.4766  170.396   11.805  185.554   9.4514 -15.15762 15.12274 
1 1 1  -10   15   59 o   60.002   13.025   9.4075   6.2169  -7.0451   9.5286   21.602   8.2034   38.039   17.920   81.965   18.907 -43.92622 26.05006 
1 1 1  -10   15   60 o  173.925   8.1932   86.791   7.5944   83.135   11.575   89.554   10.063  169.834   12.612  178.016   10.462 -8.181656 16.38646 
1 1 1  -10   15   61 o  179.628   8.0723   91.725   7.7784   95.198   11.810   89.064   10.337  182.115   12.001  177.141   10.800 4.973892 16.14453 
1 1 1  -10   15   62 o  127.777   10.752   52.275   7.1327   42.221   10.791   60.074   9.5049  113.661   17.570  141.894   12.396 -28.23309 21.50328 
1 1 1  -10   15   63 o   55.563   16.977   7.6690   9.3070   6.3333   14.289   8.6532   12.266   55.185   24.384   55.941   23.627 -0.7562485 33.95340 
1 1 1  -10   15   64 o   56.255   17.017   10.927   9.2922   7.6689   14.457   13.221   12.129   53.799   24.101   58.712   24.030 -4.912270 34.03392 
1 1 1  -10   16    2 o  380.824   6.0535  391.820   12.448  398.222   18.011  385.965   17.223  383.798   8.6845  377.851   8.4355 5.946350 12.10695 
1 1 1  -10   16    3 f  778.720   9.7906  1640.29   41.188  1612.80   57.467  1669.32   59.062  772.021   13.775  785.420   13.916 -13.39978 19.58115 
1 1 1  -10   16    5 o  1074.98   18.483  3130.99  107.367   0.0000   0.0000  3130.99  107.367  ?   ?   1074.98   18.483      ?      ? 
1 1 1  -10   16    6 o  366.917   5.9438  364.034   11.782  359.477   16.783  368.461   16.543  364.649   8.5176  369.184   8.2924 -4.534546 11.88752 
1 1 1  -10   16    7 o  751.799   9.4720  1527.28   38.443  1483.05   52.981  1576.46   55.867  740.333   13.244  763.265   13.545 -22.93201 18.94394 
1 1 1  -10   16   11 o  691.025   8.8412  1291.82   33.012  1278.09   46.430  1305.85   46.947  687.312   12.501  694.738   12.505 -7.425659 17.68243 
1 1 1  -10   16   12 o  272.281   7.9278  200.417   11.664   0.0000   0.0000  200.417   11.664  ?   ?   272.281   7.9278      ?      ? 
1 1 1  -10   16   13 o  779.725   9.7633  1644.68   41.125  1616.07   57.330  1675.01   59.026  772.750   13.729  786.700   13.885 -13.95013 19.52665 
1 1 1  -10   16   14 o  579.586   7.7216  908.528   24.183  899.188   34.094  917.984   34.305  576.587   10.943  582.585   10.897 -5.997742 15.44325 
1 1 1  -10   16   15 o  515.581   7.1524  718.214   19.918  692.956   27.694  745.277   28.666  506.200   10.125  524.963   10.105 -18.76309 14.30486 
1 1 1  -10   16   16 o  564.044   7.6023  860.131   23.166  841.060   32.354  880.196   33.185  557.632   10.737  570.457   10.765 -12.82483 15.20459 
1 1 1  -10   16   17 o  250.305   6.1036  169.435   8.2516  168.269   11.829  170.541   11.517  249.462   8.7749  251.147   8.4862 -1.684784 12.20713 
1 1 1  -10   16   18 o  978.101   12.007  2588.03   63.373  2506.81   86.909  2680.25   92.607  961.790   16.722  994.411   17.234 -32.62170 24.01355 
1 1 1  -10   16   19 o  216.751   6.5952  127.161   7.7147  119.550   10.899  134.804   10.922  210.240   9.5934  223.262   9.0529 -13.02281 13.19048 
1 1 1  -10   16   20 o  695.542   8.9534  1309.14   33.643  1287.45   46.962  1332.01   48.221  689.632   12.602  701.452   12.722 -11.81982 17.90690 
1 1 1  -10   16   21 o  647.796   12.054  1135.78   42.196  1135.78   42.196   0.0000   0.0000  647.796   12.054  ?   ?       ?      ? 
1 1 1  -10   16   22 o  643.108   8.4830  1119.00   29.474  1101.33   41.195  1137.54   42.187  637.912   11.951  648.305   12.042 -10.39270 16.96593 
1 1 1  -10   16   23 o  969.474   11.952  2546.16   62.571  2487.59   86.574  2610.22   90.537  957.848   16.726  981.099   17.078 -23.25171 23.90435 
1 1 1  -10   16   24 o  352.016   6.4751  335.329   12.311  329.127   17.586  341.288   17.239  348.816   9.3301  355.217   8.9810 -6.401367 12.95026 
1 1 1  -10   16   25 o  568.005   10.947  873.122   33.599   0.0000   0.0000  873.122   33.599  ?   ?   568.005   10.947      ?      ? 
1 1 1  -10   16   26 o  339.868   6.5449  311.857   12.003  289.850   16.606  335.934   17.370  327.331   9.3883  352.405   9.1214 -25.07458 13.08974 
1 1 1  -10   16   27 o  516.803   7.3692  722.869   20.578  711.899   28.989  734.011   29.216  512.848   10.460  520.758   10.383 -7.910767 14.73833 
1 1 1  -10   16   29 o  469.482   7.0059  595.078   17.751  563.848   24.388  630.261   25.885  456.418   9.8883  482.547   9.9272 -26.12830 14.01171 
1 1 1  -10   16   30 o  115.185   11.924   37.363   7.0651   31.202   10.563   42.349   9.5035  105.436   19.250  124.933   14.077 -19.49689 23.84810 
1 1 1  -10   16   31 o  386.695   6.4658  404.931   13.504  402.873   19.384  406.871   18.823  385.726   9.2999  387.664   8.9854 -1.937805 12.93157 
1 1 1  -10   16   32 o  366.899   6.5176  364.484   12.903  365.535   18.776  363.544   17.761  367.378   9.4582  366.420   8.9700 0.9573059 13.03527 
1 1 1  -10   16   33 o   84.011   18.225   19.879   9.2751   12.475   14.980   24.482   11.811   75.339   27.829   92.683   23.539 -17.34474 36.44942 
1 1 1  -10   16   34 o  232.450   9.3350  147.864   11.546  140.383   17.704  153.401   15.230  227.169   14.422  237.730   11.856 -10.56126 18.66991 
1 1 1  -10   16   35 o  649.647   10.393  1144.09   34.538  1132.32   42.389  1167.34   59.571  645.545   12.152  653.749   16.863 -8.204041 20.78542 
1 1 1  -10   16   36 o  134.870   9.6447   50.329   6.9019   44.215   10.392   55.155   9.2324  127.303   15.106  142.438   11.995 -15.13525 19.28930 
1 1 1  -10   16   37 o  285.631   6.2736  221.300   9.6729  220.239   13.986  222.273   13.392  284.949   9.0833  286.313   8.6560 -1.364227 12.54726 
1 1 1  -10   16   38 o  112.084   16.469   37.513   9.5520   43.829   12.263   27.770   15.232  126.244   17.976   97.924   27.600 28.32017 32.93759 
1 1 1  -10   16   39 f   89.956   17.929   23.493   9.1290   25.946   12.525   20.712   13.334   94.469   24.373   85.444   26.301 9.025520 35.85815 
1 1 1  -10   16   40 o  137.809   13.156   53.005   9.6546   62.613   13.576   43.176   13.732  150.876   16.652  124.741   20.373 26.13576 26.31238 
1 1 1  -10   16   41 o  146.955   9.7312   58.062   7.3036   62.545   12.791   55.894   8.8963  150.778   15.700  143.132   11.502 7.646835 19.46238 
1 1 1  -10   16   42 o  103.743   10.925   29.514   6.0707   30.916   9.3029   28.474   8.0116  105.761   16.278  101.725   14.575 4.035583 21.84962 
1 1 1  -10   16   43 o  153.648   7.8802   63.487   6.4439   70.476   10.218   58.872   8.3031  160.448   11.786  146.849   10.464 13.59883 15.76039 
1 1 1  -10   16   44 o  170.447   7.3784   78.320   6.7262   86.571   10.453   72.488   8.7870  177.927   10.872  162.967   9.9782 14.95996 14.75678 
1 1 1  -10   16   45 o  193.909   6.8849  102.367   7.1189  104.856   11.055  100.604   9.3048  195.753   10.451  192.064   8.9655 3.689423 13.76982 
1 1 1  -10   16   46 o   99.789   11.809   28.433   6.1180   27.497   9.4167   29.117   8.0480   97.212   18.604  102.365   14.550 -5.153183 23.61778 
1 1 1  -10   16   47 o  340.185   6.1645  316.170   11.291  315.279   16.675  316.924   15.344  339.583   9.0871  340.787   8.3324 -1.204224 12.32898 
1 1 1  -10   16   48 o   85.190   16.713   20.092   7.7696   14.779   9.5675   30.383   13.315   70.995   22.350   99.386   24.856 -28.39099 33.42668 
1 1 1  -10   16   49 o   82.329   12.703   21.214   6.1543   5.6957   9.0855   34.371   8.3659   53.841   21.220  110.817   13.971 -56.97667 25.40608 
1 1 1  -10   16   50 o  200.024   8.2879  105.121   8.1855  125.901   15.589   97.212   9.6180  212.022   13.607  188.026   9.4663 23.99577 16.57582 
1 1 1  -10   16   51 o   77.663   18.679   18.183   7.7429   0.0000   0.0000   18.183   7.7429  ?   ?    77.663   18.679      ?      ? 
1 1 1  -10   16   52 o  158.189   8.0147   69.369   6.7551   71.239   10.518   68.056   8.8129  159.634   12.193  156.743   10.405 2.891632 16.02945 
1 1 1  -10   16   53 o   53.876   14.418   6.4809   5.9127   10.700   8.6414   2.7667   8.1077   61.030   21.304   46.721   19.435 14.30964 28.83700 
1 1 1  -10   16   54 f  144.194   8.7054   59.591   6.6231   52.863   10.150   64.579   8.7401  136.223   13.789  152.164   10.630 -15.94109 17.41073 
1 1 1  -10   16   55 o  100.736   11.962   29.445   6.2738   37.875   9.6043   23.170   8.2860  114.355   15.543   87.118   18.189 27.23694 23.92491 
1 1 1  -10   16   56 o   97.623   12.355   27.719   6.2949   35.169   9.9660   22.773   8.1196  109.137   16.899   86.109   18.028 23.02831 24.71025 
1 1 1  -10   16   57 o  166.539   8.3019   79.887   7.3226   68.827   10.952   88.830   9.8477  155.009   13.075  178.068   10.234 -23.05913 16.60388 
1 1 1  -10   16   58 o  171.621   8.0803   84.014   7.4569   84.438   11.107   83.667   10.062  171.562   11.981  171.681   10.846 -0.1189423 16.16066 
1 1 1  -10   16   59 o   42.472   13.456  -1.0072   6.3422  -1.6101   9.5862  -0.5379   8.4577   43.089   19.436   41.856   18.614 1.233189 26.91194 
1 1 1  -10   16   60 o  122.690   10.675   44.480   7.0140   45.385   10.675   43.792   9.3044  123.085   16.050  122.295   14.080 0.7895508 21.35023 
1 1 1  -10   16   61 o   91.172   14.733   30.114   7.0376   27.156   11.065   32.123   9.1200   83.952   23.475   98.393   17.809 -14.44144 29.46573 
1 1 1  -10   16   62 o   47.961   15.632  -2.3799   9.1941   5.2140   14.544  -7.4347   11.866   54.578   24.331   41.345   19.631 13.23315 31.26309 
1 1 1  -10   16   63 o   61.039   17.832   14.509   9.4226   19.734   14.778   10.930   12.231   65.996   26.706   56.082   23.636 9.914318 35.66311 
1 1 1  -10   17    1 o  348.695   5.9623  328.648   11.232  320.115   15.772  337.430   16.000  344.102   8.4823  353.288   8.3814 -9.185974 11.92464 
1 1 1  -10   17    2 o  436.647   6.6160  515.392   15.607  521.412   22.368  509.682   21.785  439.129   9.4266  434.166   9.2859 4.962494 13.23206 
1 1 1  -10   17    3 o  352.167   6.0759  335.181   11.560  326.818   16.181  343.898   16.521  347.682   8.6127  356.653   8.5726 -8.970764 12.15184 
1 1 1  -10   17    4 o  233.291   6.2441  146.876   7.8597  136.005   10.883  158.728   11.363  224.282   8.9799  242.300   8.6786 -18.01837 12.48823 
1 1 1  -10   17    5 o  653.434   8.5050  1154.71   30.025  1134.88   41.985  1175.48   42.956  647.694   11.996  659.175   12.060 -11.48102 17.00994 
1 1 1  -10   17    7 o  430.229   6.4917  500.564   15.088  495.559   21.509  505.414   21.172  428.107   9.2977  432.351   9.0622 -4.243927 12.98345 
1 1 1  -10   17   10 o  617.771   8.1668  1031.86   27.255  1009.90   38.012  1055.10   39.100  611.010   11.513  624.531   11.586 -13.52142 16.33356 
1 1 1  -10   17   11 o  308.097   6.0068  256.649   9.9997  255.810   14.216  257.471   14.068  307.597   8.5530  308.596   8.4365 -0.9994812 12.01367 
1 1 1  -10   17   13 o  382.377   6.3409  395.437   13.088  393.671   18.923  397.056   18.122  381.552   9.1781  383.203   8.7518 -1.651306 12.68188 
1 1 1  -10   17   14 o  256.115   6.2595  177.398   8.6615  174.100   12.267  180.677   12.231  253.738   8.9468  258.491   8.7567 -4.752701 12.51895 
1 1 1  -10   17   18 o  775.284   13.907  1627.74   58.262   0.0000   0.0000  1627.74   58.262  ?   ?   775.284   13.907      ?      ? 
1 1 1  -10   17   19 o  260.359   9.5493  183.347   13.435  183.347   13.435   0.0000   0.0000  260.359   9.5493  ?   ?       ?      ? 
1 1 1  -10   17   20 o  592.591   8.0826  949.812   25.875  927.106   36.091  973.825   37.115  585.310   11.411  599.873   11.450 -14.56293 16.16516 
1 1 1  -10   17   21 o  531.352   7.5203  761.100   21.546  721.183   29.314  807.999   31.775  516.266   10.508  546.438   10.761 -30.17175 15.04054 
1 1 1  -10   17   22 o  941.972   11.680  2403.11   59.394  2335.67   81.843  2478.15   86.328  928.070   16.320  955.874   16.713 -27.80408 23.35955 
1 1 1  -10   17   23 o  348.136   6.5793  327.753   12.372  314.396   17.347  341.579   17.649  340.914   9.4166  355.357   9.1912 -14.44244 13.15864 
1 1 1  -10   17   24 o  684.883   8.9628  1269.67   33.160  1242.63   46.217  1298.36   47.605  677.377   12.627  692.390   12.724 -15.01245 17.92556 
1 1 1  -10   17   25 o  463.349   7.0672  580.857   17.691  563.685   24.784  598.693   25.259  456.366   10.050  470.332   9.9386 -13.96671 14.13447 
1 1 1  -10   17   26 o  290.282   9.1712  228.014   14.386   0.0000   0.0000  228.014   14.386  ?   ?   290.282   9.1712      ?      ? 
1 1 1  -10   17   28 o  338.941   6.5177  310.669   11.931  297.337   16.609  324.882   17.149  331.431   9.2739  346.451   9.1605 -15.01947 13.03535 
1 1 1  -10   17   29 o  417.998   6.7259  473.155   15.189  460.772   21.415  485.692   21.547  412.484   9.6076  423.511   9.4153 -11.02701 13.45188 
1 1 1  -10   17   30 o  265.027   6.6895  189.405   9.5487  200.062   14.217  180.648   12.888  271.774   9.6809  258.280   9.2344 13.49335 13.37891 
1 1 1  -10   17   31 o  275.678   9.2617  201.810   13.352  223.964   22.317  189.459   16.663  287.063   14.387  264.292   11.668 22.77066 18.52346 
1 1 1  -10   17   32 o  141.229   14.587   58.810   10.150   41.374   15.660   71.441   13.329  120.444   24.885  162.014   15.226 -41.56947 29.17346 
1 1 1  -10   17   33 o  425.128   9.5070  492.520   21.794  471.847   31.412  511.712   30.265  416.398   13.960  433.857   12.909 -17.45895 19.01409 
1 1 1  -10   17   34 o  247.594   6.6774  165.820   8.9071  171.504   13.201  161.070   12.068  251.453   9.7157  243.736   9.1627 7.716736 13.35479 
1 1 1  -10   17   35 o  536.618   7.5236  782.204   21.810  774.675   31.133  789.461   30.563  534.043   10.788  539.194   10.490 -5.150696 15.04730 
1 1 1  -10   17   36 o  264.399   9.2933  190.646   13.233  211.351   18.924  170.833   18.511  278.553   12.572  250.245   13.689 28.30798 18.58653 
1 1 1  -10   17   37 o  492.366   10.280  662.215   27.319  639.865   37.536  687.387   39.836  483.623   14.363  501.108   14.711 -17.48529 20.56032 
1 1 1  -10   17   38 o  277.241   9.3927  210.013   14.070  214.009   19.951  206.059   19.845  279.886   13.191  274.596   13.375 5.290405 18.78536 
1 1 1  -10   17   39 o  115.897   13.275   37.489   7.6085   38.423   13.270   37.031   9.2867  115.588   22.050  116.207   14.789 -0.6191025 26.54998 
1 1 1  -10   17   40 o  140.812   8.8547   54.538   6.6482   52.259   10.144   56.253   8.8020  138.064   13.597  143.560   11.346 -5.495422 17.70943 
1 1 1  -10   17   41 o  136.126   8.9190   49.909   6.5033   58.816   9.9888   43.355   8.5679  146.484   12.619  125.767   12.607 20.71643 17.83790 
1 1 1  -10   17   42 o  369.142   6.3416  370.621   12.612  376.608   18.630  365.555   17.136  371.792   9.2730  366.493   8.6530 5.299072 12.68319 
1 1 1  -10   17   43 o  394.272   6.4754  422.960   13.760  434.082   20.308  413.521   18.709  398.954   9.4203  389.590   8.8871 9.363220 12.95077 
1 1 1  -10   17   44 f  183.398   7.3012   90.520   7.1491  102.070   11.212   82.605   9.2806  192.990   10.751  173.807   9.8815 19.18390 14.60238 
1 1 1  -10   17   45 o  171.799   7.7370   80.909   7.1134   82.092   10.870   80.023   9.4078  172.710   11.647  170.887   10.188 1.823685 15.47405 
1 1 1  -10   17   46 o  348.411   6.2973  329.868   11.778  348.104   17.888  315.914   15.648  356.688   9.2810  340.134   8.5139 16.55417 12.59457 
1 1 1  -10   17   47 o  183.484   9.3131   91.122   8.9041   84.760   11.046  102.928   15.047  175.137   11.671  191.831   14.516 -16.69435 18.62625 
1 1 1  -10   17   48 o   78.555   16.621   19.099   7.6797   21.726   9.9432   15.216   12.090   84.500   21.672   72.609   25.208 11.89092 33.24287 
1 1 1  -10   17   49 o  142.754   10.758   55.075   7.5606   64.077   14.363   51.625   8.8923  149.279   17.806  136.230   12.080 13.04900 21.51683 
1 1 1  -10   17   50 o  120.377   9.8561   41.666   6.2345   36.351   9.6055   45.535   8.1953  112.920   15.742  127.833   11.864 -14.91323 19.71216 
1 1 1  -10   17   51 o   55.410   14.769   7.5022   5.9536   7.9034   9.3196   7.2256   7.7385   57.084   21.763   53.735   19.972 3.349781 29.53798 
1 1 1  -10   17   52 o   56.425   14.016   8.0726   5.8429   0.7797   8.7524   13.936   7.8476   45.395   19.585   67.456   20.055 -22.06144 28.03170 
1 1 1  -10   17   53 o  249.574   6.5332  172.983   8.7322  167.939   13.142  176.971   11.685  245.867   9.8915  253.281   8.5374 -7.413467 13.06635 
1 1 1  -10   17   54 o  163.816   8.2881   75.988   7.2495   71.405   10.914   79.607   9.6982  158.794   12.719  168.839   10.630 -10.04437 16.57627 
1 1 1  -10   17   55 o  170.385   7.9340   81.634   7.2328   81.981   11.025   81.372   9.5836  170.227   11.985  170.544   10.399 -0.3175964 15.86792 
1 1 1  -10   17   56 o   59.435   14.900   10.177   6.3915   4.0487   9.6180   15.023   8.5532   50.391   21.082   68.479   21.063 -18.08823 29.80054 
1 1 1  -10   17   57 o  214.247   7.1754  129.844   8.2342  126.855   12.397  132.203   11.015  211.379   10.853  217.114   9.3887 -5.734970 14.35078 
1 1 1  -10   17   58 o   54.897   14.855   5.9292   6.6596   15.592   10.091  -1.5280   8.8643   68.142   23.048   41.652   18.748 26.49009 29.71019 
1 1 1  -10   17   59 o   95.570   14.060   29.874   7.0809   24.302   10.661   34.273   9.4720   84.399   22.826  106.742   16.422 -22.34309 28.11940 
1 1 1  -10   17   60 o   86.368   17.801   28.128   8.2028   36.104   15.450   24.997   9.6798   89.883   28.413   82.854   21.452 7.028687 35.60158 
1 1 1  -10   17   61 o  204.803   11.146  132.856   11.851  104.437   17.733  155.788   15.930  180.140   18.218  229.465   12.847 -49.32509 22.29212 
1 1 1  -10   17   62 o  110.269   17.123   49.757   10.036   39.099   15.909   56.802   12.935   90.890   28.843  129.648   18.463 -38.75851 34.24639 
1 1 1  -10   18    2 o  380.416   6.3786  391.345   13.109  389.657   18.735  392.964   18.348  379.608   9.1333  381.223   8.9067 -1.614990 12.75725 
1 1 1  -10   18    3 o  194.078   6.8833  101.882   7.2172   99.820   10.231  103.925   10.182  192.120   9.8555  196.035   9.6119 -3.914627 13.76658 
1 1 1  -10   18    5 o  248.995   8.9532  167.644   12.046   0.0000   0.0000  167.644   12.046  ?   ?   248.995   8.9532      ?      ? 
1 1 1  -10   18    6 o  781.257   13.970  1652.38   58.977   0.0000   0.0000  1652.38   58.977  ?   ?   781.257   13.970      ?      ? 
1 1 1  -10   18    7 o  183.790   7.4339   91.221   7.3763   96.508   10.664   86.371   10.214  188.889   10.448  178.691   10.578 10.19785 14.86776 
1 1 1  -10   18    8 o  297.256   6.1141  239.166   9.8077  225.190   13.887  253.073   13.853  288.577   8.9056  305.936   8.3798 -17.35928 12.22824 
1 1 1  -10   18   10 o  263.402   6.3369  187.836   9.0095  180.932   12.883  194.445   12.605  258.652   9.2173  268.152   8.6988 -9.499268 12.67388 
1 1 1  -10   18   11 o  305.627   6.1831  252.600   10.211  250.434   14.420  254.779   14.462  304.312   8.7691  306.943   8.7193 -2.630615 12.36620 
1 1 1  -10   18   14 o  380.211   6.5821  390.983   13.513  390.995   19.492  390.972   18.750  380.209   9.4875  380.214   9.1259 -0.4302979E-02 13.16411 
1 1 1  -10   18   15 o  1098.03   13.422  3266.65   79.551  3174.31  109.445  3370.09  115.832  1081.67   18.725  1114.40   19.235 -32.73010 26.84417 
1 1 1  -10   18   18 o  1288.38   15.623  4511.94  108.716  4432.34  151.077  4597.44  156.565  1276.68   21.899  1300.09   22.286 -23.41003 31.24503 
1 1 1  -10   18   19 o  227.268   7.6058  140.149   9.3109  128.276   13.241  151.763   13.096  217.704   11.255  236.832   10.233 -19.12865 15.21167 
1 1 1  -10   18   20 o  600.986   8.1934  977.661   26.608  971.741   37.614  983.591   37.644  599.162   11.618  602.810   11.557 -3.648010 16.38675 
1 1 1  -10   18   21 o  387.756   6.9218  406.820   14.495  389.125   20.400  424.861   20.599  379.231   9.9552  396.281   9.6197 -17.05002 13.84353 
1 1 1  -10   18   22 o  355.297   6.6143  341.574   12.696  331.934   17.902  351.328   18.008  350.247   9.4590  360.346   9.2480 -10.09863 13.22866 
1 1 1  -10   18   23 o  346.426   6.6732  324.936   12.484  312.852   17.696  336.911   17.616  339.999   9.6316  352.853   9.2390 -12.85437 13.34644 
1 1 1  -10   18   24 o  509.074   10.361  701.555   28.502   0.0000   0.0000  701.555   28.502  ?   ?   509.074   10.361      ?      ? 
1 1 1  -10   18   25 o  673.515   8.8578  1228.03   32.217  1192.43   44.614  1266.82   46.574  663.339   12.447  683.691   12.606 -20.35254 17.71551 
1 1 1  -10   18   26 o  256.706   10.255  178.474   14.225  178.474   14.225   0.0000   0.0000  256.706   10.255  ?   ?       ?      ? 
1 1 1  -10   18   27 o  251.053   9.5523  170.691   12.959   0.0000   0.0000  170.691   12.959  ?   ?   251.053   9.5523      ?      ? 
1 1 1  -10   18   28 o  103.125   13.957   29.984   7.4712   29.944   11.036   30.018   10.151  102.914   20.564  103.336   18.875 -0.4222870 27.91325 
1 1 1  -10   18   29 o  550.789   10.966  825.030   32.625  791.892   45.704  859.459   46.586  539.474   15.678  562.103   15.337 -22.62903 21.93269 
1 1 1  -10   18   30 o  202.144   10.883  111.098   11.665  111.959   18.388  110.518   15.090  202.655   16.791  201.633   13.850 1.021179 21.76623 
1 1 1  -10   18   31 o  158.500   13.382   68.143   11.047   71.126   18.410   66.464   13.809  160.926   21.171  156.073   16.374 4.853043 26.76409 
1 1 1  -10   18   32 o   63.368   15.406   9.3088   6.6909   15.009   9.5598   3.8347   9.3680   73.470   22.202   53.266   21.365 20.20400 30.81227 
1 1 1  -10   18   33 f  560.402   15.649  857.883   47.389   0.0000   0.0000  857.883   47.389  ?   ?   560.402   15.649      ?      ? 
1 1 1  -10   18   34 o  394.252   9.3638  423.663   19.946  424.549   27.980  422.748   28.441  394.703   13.119  393.801   13.365 0.9023743 18.72768 
1 1 1  -10   18   35 o  177.105   11.256   86.020   10.769   87.050   15.105   84.955   15.356  178.221   15.685  175.989   16.148 2.231842 22.51169 
1 1 1  -10   18   36 o  280.401   9.0722  214.386   13.716  234.910   19.770  195.338   19.045  293.404   12.469  267.398   13.181 26.00677 18.14439 
1 1 1  -10   18   37 o  383.034   7.9593  398.384   15.372  403.378   27.222  396.046   18.627  384.226   13.111  381.842   9.0274 2.384369 15.91864 
1 1 1  -10   18   38 o  201.701   7.2756  112.062   7.8333   99.483   11.577  122.685   10.638  190.990   11.218  212.411   9.2684 -21.42004 14.55118 
1 1 1  -10   18   39 o   98.056   12.607   27.485   6.4087   25.108   9.8334   29.239   8.4497   93.107   20.131  103.005   15.181 -9.898422 25.21355 
1 1 1  -10   18   40 o  293.331   6.2294  234.983   9.8343  222.821   14.326  245.821   13.524  286.014   9.2694  300.648   8.3245 -14.63409 12.45872 
1 1 1  -10   18   41 o  258.569   6.4921  180.780   8.9962  192.727   13.796  171.941   11.866  265.842   9.6036  251.297   8.7385 14.54443 12.98426 
1 1 1  -10   18   42 o  374.674   6.4256  382.972   13.001  367.741   18.391  398.190   18.383  367.153   9.2696  382.194   8.9010 -15.04089 12.85121 
1 1 1  -10   18   43 o  172.000   7.9587   83.544   7.1651   62.570   10.433  102.269   9.8576  150.568   12.823  193.432   9.4309 -42.86467 15.91739 
1 1 1  -10   18   44 o   69.237   14.978   13.989   6.0797   12.823   9.6683   14.752   7.8190   67.614   22.561   70.859   19.705 -3.245110 29.95535 
1 1 1  -10   18   45 o  290.629   6.3452  231.825   9.9189  220.741   14.524  241.512   13.578  283.896   9.4677  297.362   8.4504 -13.46567 12.69040 
1 1 1  -10   18   46 f   85.973   16.556   22.733   7.7509   23.419   9.7260   21.541   12.831   88.227   20.749   83.720   25.805 4.506569 33.11224 
1 1 1  -10   18   47 o  158.561   10.869   73.111   8.6835   77.868   10.757   64.212   14.713  167.555   11.881  149.567   18.204 17.98792 21.73810 
1 1 1  -10   18   48 o   71.742   15.449   16.306   6.6380   9.5563   12.018   19.270   7.9629   63.394   24.572   80.090   18.733 -16.69514 30.89851 
1 1 1  -10   18   49 o  124.573   9.9693   43.633   6.6319   44.838   10.239   42.762   8.7044  125.668   15.079  123.478   13.046 2.189903 19.93862 
1 1 1  -10   18   50 o  162.963   8.0750   74.321   6.9938   72.297   10.825   75.771   9.1627  160.565   12.477  165.361   10.254 -4.796402 16.14990 
1 1 1  -10   18   51 o   49.180   14.251   3.4483   6.0111   6.4274   9.2702   1.2868   7.8963   54.264   21.419   44.096   18.804 10.16758 28.50233 
1 1 1  -10   18   52 o  112.468   11.368   38.180   6.4622   31.454   9.9522   43.083   8.4971  101.563   18.827  123.373   12.746 -21.81022 22.73598 
1 1 1  -10   18   53 o   69.277   14.288   15.135   6.3692   5.3040   9.7150   22.546   8.4348   52.922   21.565   85.632   18.748 -32.71037 28.57560 
1 1 1  -10   18   54 o  132.973   10.188   52.253   7.0882   44.796   10.936   57.655   9.3083  123.313   16.412  142.633   12.077 -19.31993 20.37643 
1 1 1  -10   18   55 o  110.220   15.118   35.485   9.0045   0.0000   0.0000   35.485   9.0045  ?   ?   110.220   15.118      ?      ? 
1 1 1  -10   18   56 o  260.998   6.7950  191.887   9.5374  187.097   14.079  195.950   12.966  257.426   10.121  264.570   9.0692 -7.144104 13.58990 
1 1 1  -10   18   57 f   42.665   13.518  -2.9462   6.5429   4.0608   9.9556  -8.2740   8.6810   50.167   21.243   35.163   16.724 15.00333 27.03607 
1 1 1  -10   18   58 o   39.785   13.018  -4.6477   6.6341  -6.8847   9.7922  -2.7500   9.0194   38.834   18.255   40.737   18.564 -1.902409 26.03556 
1 1 1  -10   18   59 f   63.118   16.767   13.964   9.4794  -5.1959   15.363   25.743   12.046   46.796   22.254   79.441   25.086 -32.64579 33.53418 
1 1 1  -10   18   60 o  174.291   11.987   94.380   10.858  100.518   18.089   90.923   13.576  175.338   19.092  173.245   14.502 2.093384 23.97498 
1 1 1  -10   18   61 o   58.358   14.651   10.075   7.2010  -4.2238   10.477   22.877   9.9136   39.949   18.811   76.768   22.467 -36.81894 29.30194 
1 1 1  -10   19    1 o  689.355   9.0367  1284.44   33.628  1242.53   46.301  1331.22   48.922  677.487   12.647  701.222   12.911 -23.73529 18.07337 
1 1 1  -10   19    2 o  706.713   12.984  1352.19   49.583   0.0000   0.0000  1352.19   49.583  ?   ?   706.713   12.984      ?      ? 
1 1 1  -10   19    3 f  1155.09   14.080  3622.22   87.885  3607.86  123.920  3636.74  124.659  1152.79   19.893  1157.39   19.932 -4.593384 28.16082 
1 1 1  -10   19    5 o  379.427   9.4026  389.388   19.278   0.0000   0.0000  389.388   19.278  ?   ?   379.427   9.4026      ?      ? 
1 1 1  -10   19    6 o  1357.13   16.417  5004.18  120.311  4895.29  166.415  5123.42  174.140  1341.78   22.952  1372.48   23.480 -30.70667 32.83481 
1 1 1  -10   19    8 o  295.257   9.6139  235.795   15.339  235.795   15.339   0.0000   0.0000  295.257   9.6139  ?   ?       ?      ? 
1 1 1  -10   19    9 o  511.011   7.4111  705.258   20.446  677.717   28.198  735.790   29.690  500.513   10.426  521.509   10.536 -20.99640 14.82222 
1 1 1  -10   19   10 o  624.685   8.4475  1054.66   28.494  1017.07   39.382  1095.94   41.278  613.027   11.889  636.343   12.004 -23.31622 16.89510 
1 1 1  -10   19   11 o  325.250   6.5934  286.111   11.566  286.325   16.890  285.922   15.871  325.354   9.6068  325.146   9.0334 0.2081909 13.18684 
1 1 1  -10   19   12 o  994.919   12.291  2682.04   66.033  2618.01   91.310  2752.24   95.606  982.523   17.198  1007.32   17.564 -24.79114 24.58237 
1 1 1  -10   19   13 o  330.147   9.2383  294.825   16.481   0.0000   0.0000  294.825   16.481  ?   ?   330.147   9.2383      ?      ? 
1 1 1  -10   19   15 o  466.231   7.2319  588.156   18.212  587.829   26.144  588.465   25.383  466.095   10.380  466.367   10.072 -0.2722778 14.46377 
1 1 1  -10   19   16 o  281.928   7.1219  215.105   10.846  209.577   15.370  220.590   15.309  278.313   10.220  285.543   9.9216 -7.230072 14.24380 
1 1 1  -10   19   17 o  1028.36   17.933  2870.19   99.650   0.0000   0.0000  2870.19   99.650  ?   ?   1028.36   17.933      ?      ? 
1 1 1  -10   19   18 o  249.912   10.500  169.030   14.179  169.030   14.179   0.0000   0.0000  249.912   10.500  ?   ?       ?      ? 
1 1 1  -10   19   19 o  144.350   10.636   56.599   8.2795   60.526   11.687   52.643   11.731  149.404   14.476  139.296   15.585 10.10858 21.27114 
1 1 1  -10   19   20 o  841.875   15.014  1922.76   68.302   0.0000   0.0000  1922.76   68.302  ?   ?   841.875   15.014      ?      ? 
1 1 1  -10   19   21 o  650.757   8.6929  1144.89   30.529  1100.80   41.902  1194.79   44.572  637.448   12.165  664.067   12.421 -26.61932 17.38581 
1 1 1  -10   19   22 o  452.392   7.0692  553.669   17.274  531.427   24.127  577.059   24.742  443.069   10.077  461.714   9.9168 -18.64484 14.13848 
1 1 1  -10   19   23 o  555.161   7.8319  835.072   23.492  825.615   33.371  844.362   33.075  552.030   11.187  558.292   10.964 -6.262451 15.66373 
1 1 1  -10   19   24 o  304.295   6.8373  250.713   11.230  251.807   16.287  249.723   15.505  304.911   9.8852  303.678   9.4487 1.232422 13.67464 
1 1 1  -10   19   25 o  444.031   6.9735  534.069   16.731  525.011   23.603  543.215   23.719  440.240   9.9219  447.821   9.8017 -7.581360 13.94699 
1 1 1  -10   19   26 o  140.665   10.570   53.099   7.9801   62.019   12.058   46.148   10.644  151.051   14.773  130.279   15.120 20.77164 21.13939 
1 1 1  -10   19   27 o  350.499   9.7038  334.236   18.199  330.405   27.654  337.162   24.171  348.584   14.681  352.414   12.693 -3.829742 19.40764 
1 1 1  -10   19   28 o  339.711   9.6829  315.262   17.602  301.802   26.491  325.901   23.552  333.024   14.721  346.398   12.583 -13.37427 19.36579 
1 1 1  -10   19   29 o  195.227   11.978  107.946   12.150   84.977   18.592  125.068   16.052  176.080   19.541  214.374   13.857 -38.29407 23.95528 
1 1 1  -10   19   30 f   63.338   15.337   8.1130   7.0925   17.414   10.013  -1.2504   10.047   78.495   22.467   48.180   20.884 30.31552 30.67455 
1 1 1  -10   19   31 o   74.230   18.165   12.424   8.7303   7.9847   10.916   20.302   14.542   62.479   23.617   85.980   27.607 -23.50021 36.33080 
1 1 1  -10   19   32 o  283.045   9.2746  217.821   14.168  207.635   19.473  229.279   20.653  276.041   13.055  290.049   13.178 -14.00763 18.54928 
1 1 1  -10   19   33 o   95.287   18.116   25.792   9.5136   21.554   12.619   31.374   14.482   86.786   25.332  103.788   25.904 -17.00143 36.23164 
1 1 1  -10   19   34 o  442.292   9.7791  533.894   23.344  512.612   32.068  557.883   34.047  432.983   13.706  451.600   13.952 -18.61734 19.55810 
1 1 1  -10   19   35 o  373.226   7.9196  373.585   14.847  395.270   26.761  363.943   17.845  380.400   13.019  366.052   9.0214 14.34781 15.83924 
1 1 1  -10   19   36 o  173.694   8.0081   82.186   7.4415   82.875   11.372   81.670   9.8411  174.220   12.080  173.168   10.517 1.051346 16.01622 
1 1 1  -10   19   37 o  133.723   9.3609   49.039   6.7518   48.733   9.8320   49.311   9.2881  133.267   13.653  134.178   12.810 -0.9112549 18.72182 
1 1 1  -10   19   38 o  290.380   6.3574  228.817   9.9135  235.762   14.969  223.391   13.231  294.188   9.4161  286.572   8.5442 7.615448 12.71483 
1 1 1  -10   19   39 o  383.413   8.9407  400.320   18.524   0.0000   0.0000  400.320   18.524  ?   ?   383.413   8.9407      ?      ? 
1 1 1  -10   19   40 o  119.600   10.369   39.081   6.6620   45.024   10.040   34.407   8.9048  127.649   14.555  111.551   14.773 16.09793 20.73861 
1 1 1  -10   19   41 o  265.907   6.3694  191.310   9.0805  205.724   13.912  180.610   11.986  274.447   9.3807  257.367   8.6185 17.08002 12.73879 
1 1 1  -10   19   42 o   60.188   15.049   8.2044   6.2822   14.458   9.6776   3.6500   8.2588   70.830   22.498   49.546   19.994 21.28404 30.09855 
1 1 1  -10   19   43 o  298.906   6.2941  244.811   10.132  234.706   14.752  253.834   13.941  292.888   9.3210  304.925   8.4606 -12.03723 12.58822 
1 1 1  -10   19   44 o  186.606   7.4869   94.798   7.4881  103.439   11.507   88.451   9.8620  193.776   10.989  179.436   10.171 14.34001 14.97382 
1 1 1  -10   19   45 o   47.542   14.028  -0.0177   6.4915  -7.6516   9.2735   7.3171   9.0900   38.600   18.021   56.485   21.503 -17.88518 28.05634 
1 1 1  -10   19   46 o   68.875   16.482   14.001   7.4867   17.334   9.2959   7.8491   12.630   75.572   21.652   62.178   24.855 13.39381 32.96310 
1 1 1  -10   19   47 o  140.391   10.119   51.585   7.2410   68.423   13.156   44.267   8.6729  155.005   15.707  125.777   12.761 29.22838 20.23713 
1 1 1  -10   19   48 o   74.691   16.183   16.896   6.8605   17.800   12.049   16.463   8.3453   75.957   25.179   73.426   20.336 2.530769 32.36587 
1 1 1  -10   19   49 o   81.437   14.487   20.037   6.3271   24.293   9.8126   17.008   8.2777   88.562   20.850   74.311   20.120 14.25051 28.97487 
1 1 1  -10   19   50 o   41.492   13.188  -2.4115   6.1364  -2.5323   9.2712  -2.3173   8.1862   42.700   19.201   40.284   18.085 2.416550 26.37695 
1 1 1  -10   19   51 o   91.968   13.289   26.059   6.3749   23.342   9.9170   27.974   8.3222   85.715   21.460   98.221   15.680 -12.50574 26.57783 
1 1 1  -10   19   52 o   60.042   15.477   10.226   6.5252   8.7282   10.025   11.326   8.5951   58.392   22.496   61.693   21.263 -3.300446 30.95432 
1 1 1  -10   19   53 o   57.786   15.409   8.8821   6.5052   11.613   10.086   6.9365   8.5123   62.457   22.873   53.116   20.654 9.341095 30.81838 
1 1 1  -10   19   54 o   55.636   14.935   8.0337   6.4838   2.7020   9.9156   12.016   8.5698   49.078   21.004   62.193   21.239 -13.11553 29.87043 
1 1 1  -10   19   55 o  132.686   10.287   52.305   7.2812   50.255   11.046   53.881   9.6825  129.340   15.805  136.032   13.172 -6.691772 20.57436 
1 1 1  -10   19   56 o   47.392   14.300   0.5238   6.6451   8.8033   10.344  -5.2943   8.6711   57.164   22.606   37.620   17.518 19.54396 28.59914 
1 1 1  -10   19   57 o  234.257   9.3095  153.418   10.552  174.144   20.442  145.890   12.320  241.129   15.688  227.385   10.027 13.74342 18.61900 
1 1 1  -10   19   58 o   71.907   18.806   22.365   9.5475   23.221   15.878   21.881   11.949   71.045   28.036   72.770   25.071 -1.724945 37.61100 
1 1 1  -10   19   59 o  134.116   15.362   60.713   10.220   65.901   17.626   58.086   12.544  132.707   25.506  135.526   17.129 -2.819107 30.72361 
1 1 1  -10   19   60 o   64.408   16.237   15.904   7.0836   20.864   11.039   12.432   9.2356   70.932   24.106   57.884   21.758 13.04800 32.47337 
1 1 1  -10   20    2 o  159.802   9.5167   70.340   8.0548   84.401   11.228   55.429   11.562  176.583   11.767  143.020   14.960 33.56305 19.03342 
1 1 1  -10   20    3 o  275.947   7.0192  205.876   10.463  200.959   14.570  211.112   15.035  272.548   9.8930  279.346   9.9603 -6.797455 14.03848 
1 1 1  -10   20    4 o  488.422   7.4410  645.409   19.635  649.445   28.086  641.550   27.461  489.910   10.609  486.935   10.437 2.975159 14.88207 
1 1 1  -10   20    8 o  373.621   9.5192  377.625   19.218   0.0000   0.0000  377.625   19.218  ?   ?   373.621   9.5192      ?      ? 
1 1 1  -10   20    9 o  1132.04   19.632  3480.75  120.089   0.0000   0.0000  3480.75  120.089  ?   ?   1132.04   19.632      ?      ? 
1 1 1  -10   20   10 o  457.913   7.2462  566.021   17.908  539.840   24.601  595.535   26.120  446.679   10.192  469.148   10.303 -22.46893 14.49247 
1 1 1  -10   20   12 o  577.669   11.566  903.306   36.104  903.306   36.104   0.0000   0.0000  577.669   11.566  ?   ?       ?      ? 
1 1 1  -10   20   13 o  858.935   10.863  1993.41   50.297  1907.01   68.285  2095.88   74.366  838.718   15.067  879.152   15.654 -40.43451 21.72680 
1 1 1  -10   20   15 o  598.322   11.589  969.495   37.469   0.0000   0.0000  969.495   37.469  ?   ?   598.322   11.589      ?      ? 
1 1 1  -10   20   16 o  1019.88   12.638  2824.51   69.614  2762.15   96.627  2891.82  100.379  1008.23   17.736  1031.53   18.008 -23.30408 25.27564 
1 1 1  -10   20   17 o  226.392   7.8412  138.772   9.5918  141.225   13.632  136.367   13.499  228.375   11.046  224.409   11.132 3.966782 15.68245 
1 1 1  -10   20   18 o  588.197   11.474  937.046   36.470   0.0000   0.0000  937.046   36.470  ?   ?   588.197   11.474      ?      ? 
1 1 1  -10   20   19 o  286.721   9.4856  222.517   14.696   0.0000   0.0000  222.517   14.696  ?   ?   286.721   9.4856      ?      ? 
1 1 1  -10   20   20 o  418.511   9.7475  474.262   22.044   0.0000   0.0000  474.262   22.044  ?   ?   418.511   9.7475      ?      ? 
1 1 1  -10   20   21 o   77.891   16.358   16.804   7.5939   11.422   11.083   21.566   10.426   68.644   24.118   87.138   22.107 -18.49350 32.71641 
1 1 1  -10   20   22 o  584.420   8.1222  925.906   25.647  906.031   36.063  946.245   36.481  578.065   11.545  590.775   11.428 -12.71057 16.24445 
1 1 1  -10   20   23 o  279.976   6.9974  212.583   10.567  197.416   14.921  227.845   14.967  269.920   10.230  290.031   9.5502 -20.11063 13.99481 
1 1 1  -10   20   24 o  205.366   18.494  115.090   20.523  115.090   20.523   0.0000   0.0000  205.366   18.494  ?   ?       ?      ? 
1 1 1  -10   20   25 o  446.496   10.179  543.335   24.490  523.649   35.593  561.036   33.750  438.669   15.015  454.322   13.747 -15.65213 20.35812 
1 1 1  -10   20   26 o  168.676   15.319   86.148   12.330   53.671   19.101  109.347   16.144  136.976   26.766  200.375   14.910 -63.39868 30.63842 
1 1 1  -10   20   27 o  212.512   11.840  122.701   13.596  122.701   13.596   0.0000   0.0000  212.512   11.840  ?   ?       ?      ? 
1 1 1  -10   20   28 o  185.615   11.090   94.156   11.093   95.270   15.192   92.883   16.235  186.870   15.044  184.359   16.297 2.510727 22.17908 
1 1 1  -10   20   29 o  390.187   9.3698  414.682   19.754  422.297   28.068  407.207   27.807  393.751   13.192  386.623   13.310 7.127136 18.73962 
1 1 1  -10   20   30 o  461.455   9.9955  581.297   24.923  588.964   35.266  573.649   35.226  464.523   14.050  458.386   14.221 6.136475 19.99091 
1 1 1  -10   20   31 o  159.631   12.126   67.701   10.282   55.473   13.233   86.329   16.333  142.038   17.241  177.224   17.055 -35.18611 24.25118 
1 1 1  -10   20   32 o  194.012   9.1662  104.430   9.2413   96.441   14.990  109.328   11.737  187.620   14.785  200.404   10.839 -12.78368 18.33242 
1 1 1  -10   20   33 o  277.772   9.2483  209.628   13.882   0.0000   0.0000  209.628   13.882  ?   ?   277.772   9.2483      ?      ? 
1 1 1  -10   20   34 o  176.969   8.0791   85.288   7.7172   88.008   11.240   82.863   10.614  179.611   11.581  174.327   11.268 5.283875 16.15824 
1 1 1  -10   20   35 o  240.827   6.9259  157.915   8.9997  158.488   13.097  157.403   12.387  241.190   10.049  240.463   9.5333 0.7269287 13.85177 
1 1 1  -10   20   36 o   86.002   13.884   22.060   6.7954   9.9071   9.9765   32.579   9.2813   63.439   22.819  108.564   15.821 -45.12410 27.76731 
1 1 1  -10   20   37 o  320.418   6.4723  278.936   11.185  256.173   15.426  304.172   16.242  306.625   9.3100  334.212   8.9935 -27.58740 12.94452 
1 1 1  -10   20   38 o  101.587   12.799   29.319   6.8617   28.279   9.9282   30.271   9.4942   98.865   19.277  104.310   16.844 -5.444756 25.59898 
1 1 1  -10   20   39 o  192.756   7.6459  102.254   7.9226   95.421   11.546  108.333   10.891  186.481   11.458  199.032   10.126 -12.55159 15.29179 
1 1 1  -10   20   40 f  247.075   8.7744  166.635   11.715   0.0000   0.0000  166.635   11.715  ?   ?   247.075   8.7744      ?      ? 
1 1 1  -10   20   41 o  234.508   6.8435  151.113   8.6200  144.834   12.751  156.398   11.698  229.811   10.268  239.205   9.0501 -9.393784 13.68703 
1 1 1  -10   20   42 o  145.947   8.9905   59.071   7.0263   58.323   10.632   59.652   9.3623  144.875   13.581  147.020   11.785 -2.144745 17.98091 
1 1 1  -10   20   43 f  205.004   7.2474  116.222   7.9855  107.586   11.606  123.985   11.004  197.502   10.875  212.506   9.5829 -15.00471 14.49484 
1 1 1  -10   20   44 o   77.074   15.280   18.004   6.6067   17.985   9.7631   18.020   8.9734   76.960   22.230   77.188   20.969 -0.2275620 30.55976 
1 1 1  -10   20   45 o  139.269   11.698   52.498   8.5368   44.001   10.604   68.153   14.392  124.434   15.770  154.103   17.284 -29.66885 23.39671 
1 1 1  -10   20   46 o  111.082   13.200   35.362   7.0934   39.077   13.042   33.802   8.4530  112.778   22.191  109.387   14.301 3.390266 26.40016 
1 1 1  -10   20   47 o  130.276   11.571   49.926   7.3327   45.743   13.331   51.741   8.7802  124.448   19.824  136.104   11.938 -11.65614 23.14147 
1 1 1  -10   20   48 o  231.890   6.8624  149.196   8.5139  146.370   12.906  151.374   11.329  229.523   10.405  234.256   8.9497 -4.732605 13.72479 
1 1 1  -10   20   49 o  186.649   7.7203   97.270   7.7034   97.614   11.782   97.013   10.181  186.489   11.691  186.809   10.086 -0.3202209 15.44060 
1 1 1  -10   20   50 o  127.962   10.142   46.172   6.9193   51.832   10.904   42.357   8.9528  134.038   15.055  121.886   13.593 12.15245 20.28336 
1 1 1  -10   20   51 o   67.665   15.837   13.819   6.6944   17.835   10.457   11.030   8.7140   74.281   23.363   61.049   21.389 13.23260 31.67483 
1 1 1  -10   20   52 o   62.976   15.374   11.406   6.3907   17.046   10.022   7.5414   8.2965   72.151   22.892   53.801   20.528 18.35022 30.74814 
1 1 1  -10   20   53 o  101.872   13.298   31.390   7.0572   43.337   10.830   22.573   9.3039  120.417   16.644   83.327   20.744 37.09003 26.59537 
1 1 1  -10   20   54 o  227.560   9.4514  145.511   11.622   0.0000   0.0000  145.511   11.622  ?   ?   227.560   9.4514      ?      ? 
1 1 1  -10   20   55 o   64.111   24.158   12.916   11.399   12.916   11.399   0.0000   0.0000   64.111   24.158  ?   ?       ?      ? 
1 1 1  -10   20   56 o   99.045   17.129   38.669   10.011   20.536   16.612   49.009   12.545   73.348   28.762  124.742   18.611 -51.39365 34.25804 
1 1 1  -10   20   57 o  199.650   11.155  124.919   11.551  127.590   19.100  123.378   14.504  197.178   17.926  202.122   13.279 -4.943909 22.30912 
1 1 1  -10   20   58 o   43.450   14.261  -3.1991   8.0636  -0.8110   11.161  -5.8063   11.662   44.991   20.560   41.910   19.768 3.081158 28.52195 
1 1 1  -10   20   59 o  116.700   12.065   44.421   7.5554   48.189   11.519   41.575   10.010  120.163   17.739  113.237   16.358 6.926079 24.13058 
1 1 1  -10   21    1 o  464.821   7.2575  583.974   18.218  562.056   25.259  607.739   26.301  455.742   10.257  473.900   10.271 -18.15826 14.51505 
1 1 1  -10   21    5 o  352.618   9.6208  336.436   18.332   0.0000   0.0000  336.436   18.332  ?   ?   352.618   9.6208      ?      ? 
1 1 1  -10   21    6 o  460.011   7.2101  571.784   17.906  551.254   24.692  594.559   26.006  451.320   10.125  468.701   10.268 -17.38132 14.42018 
1 1 1  -10   21    8 o  535.751   11.038  777.144   31.956   0.0000   0.0000  777.144   31.956  ?   ?   535.751   11.038      ?      ? 
1 1 1  -10   21    9 o  263.915   7.4733  189.547   10.602  174.139   15.363  203.553   14.648  253.590   11.212  274.241   9.8845 -20.65048 14.94669 
1 1 1  -10   21   11 o  478.290   7.4135  619.089   19.155  599.930   26.836  638.993   27.351  470.742   10.550  485.838   10.418 -15.09607 14.82696 
1 1 1  -10   21   13 o  305.852   6.9863  253.160   11.537  239.393   16.182  267.391   16.453  297.386   10.070  314.318   9.6869 -16.93127 13.97261 
1 1 1  -10   21   15 o  712.031   13.172  1374.85   50.682   0.0000   0.0000  1374.85   50.682  ?   ?   712.031   13.172      ?      ? 
1 1 1  -10   21   16 o  474.865   7.3319  610.960   18.808  595.491   26.658  626.292   26.539  468.860   10.522  480.869   10.214 -12.00903 14.66383 
1 1 1  -10   21   18 o  150.237   10.141   60.677   8.1276   75.877   12.130   48.293   10.949  167.185   13.427  133.289   15.202 33.89571 20.28215 
1 1 1  -10   21   19 o   93.843   15.300   25.115   7.6335   21.036   10.814   29.166   10.777   86.114   22.858  101.573   20.344 -15.45856 30.60042 
1 1 1  -10   21   20 o  210.231   7.8859  119.865   8.9515  118.946   12.889  120.721   12.441  209.436   11.389  211.025   10.910 -1.588776 15.77181 
1 1 1  -10   21   21 o  478.728   7.4267  621.366   19.194  618.367   27.713  624.131   26.610  477.582   10.739  479.874   10.262 -2.292084 14.85335 
1 1 1  -10   21   22 o   81.676   21.381   14.890   12.214   12.757   20.515   16.061   15.201   82.820   32.103   80.532   28.247 2.288116 42.76161 
1 1 1  -10   21   23 o  375.338   15.676  384.009   31.793  384.009   31.793   0.0000   0.0000  375.338   15.676  ?   ?       ?      ? 
1 1 1  -10   21   25 o  270.181   9.8169  196.328   14.120  185.113   18.243  213.086   22.300  260.823   12.944  279.539   14.763 -18.71628 19.63376 
1 1 1  -10   21   26 f  254.285   9.4804  176.163   13.024  177.568   18.258  174.707   18.582  255.344   13.233  253.226   13.580 2.118256 18.96090 
1 1 1  -10   21   27 o  197.959   11.302  109.459   11.732  138.356   16.506   79.955   16.678  225.269   13.559  170.649   18.086 54.61984 22.60471 
1 1 1  -10   21   28 o  276.900   9.1759  209.046   13.706  225.901   19.604  192.928   19.170  287.889   12.602  265.910   13.341 21.97906 18.35189 
1 1 1  -10   21   29 o  280.692   12.394  214.910   18.799  214.910   18.799   0.0000   0.0000  280.692   12.394  ?   ?       ?      ? 
1 1 1  -10   21   30 o  226.180   7.3472  140.032   8.9202  124.275   12.802  154.899   12.436  213.629   11.090  238.730   9.6401 -25.10110 14.69431 
1 1 1  -10   21   31 o  135.760   10.665   52.229   7.5553   41.238   11.429   60.759   10.069  122.333   17.289  149.188   12.490 -26.85513 21.32905 
1 1 1  -10   21   32 o  231.912   7.1580  146.624   8.9566  138.598   12.744  154.456   12.590  225.574   10.455  238.250   9.7793 -12.67628 14.31608 
1 1 1  -10   21   33 o  358.408   6.6179  349.734   12.812  345.511   18.311  353.784   17.932  356.244   9.5121  360.571   9.2035 -4.327118 13.23575 
1 1 1  -10   21   34 o  128.193   10.525   46.124   7.1539   38.646   10.557   52.474   9.7282  118.108   16.541  138.277   13.019 -20.16936 21.05013 
1 1 1  -10   21   35 o   94.235   13.753   26.124   6.9073   16.166   9.8744   35.665   9.6658   74.949   22.545  113.522   15.757 -38.57343 27.50578 
1 1 1  -10   21   36 o  270.380   6.6159  199.230   9.6246  200.338   14.305  198.314   13.010  270.955   9.7702  269.804   8.9233 1.151367 13.23188 
1 1 1  -10   21   37 o  100.921   13.046   29.975   6.7963   22.042   9.9363   36.950   9.3165   86.398   21.395  115.444   14.935 -29.04643 26.09226 
1 1 1  -10   21   38 o  103.469   12.554   31.084   6.7028   27.508   10.216   33.787   8.8816   96.724   20.198  110.215   14.913 -13.49081 25.10723 
1 1 1  -10   21   39 o   97.410   13.222   28.825   6.7070   15.257   9.6129   41.695   9.3622   72.305   22.344  122.515   14.142 -50.20983 26.44334 
1 1 1  -10   21   40 o  220.815   7.2540  134.770   8.5922  121.118   12.461  147.145   11.864  209.824   10.990  231.807   9.4711 -21.98309 14.50810 
1 1 1  -10   21   41 o   80.269   15.259   19.623   6.7707   17.320   10.308   21.370   8.9795   75.980   23.075   84.558   19.971 -8.578232 30.51703 
1 1 1  -10   21   42 f  138.033   9.5045   52.677   7.0224   56.969   10.845   49.578   9.2149  142.611   14.074  133.455   12.778 9.155334 19.00909 
1 1 1  -10   21   43 o   35.622   12.042 -12.6118   6.5061  -6.1720   9.7493 -17.7825   8.7360   40.990   18.908   30.254   14.918 10.73588 24.08442 
1 1 1  -10   21   44 f   78.287   17.195   19.606   8.1992   22.995   10.204   13.430   13.773   86.234   21.867   70.340   26.543 15.89436 34.39041 
1 1 1  -10   21   45 o  216.703   8.4165  132.803   9.3046  125.045   15.752  136.960   11.531  210.577   13.843  222.829   9.5768 -12.25110 16.83302 
1 1 1  -10   21   46 o   80.593   15.748   21.532   7.3844   12.948   12.240   26.444   9.2593   67.748   25.130   93.439   18.986 -25.69077 31.49539 
1 1 1  -10   21   47 o   85.800   14.460   23.111   6.6067   20.735   9.8919   25.024   8.8770   80.933   22.029   90.667   18.738 -9.734581 28.92029 
1 1 1  -10   21   48 f  110.092   11.546   34.809   6.8115   39.570   10.493   31.342   8.9546  116.318   16.694  103.865   15.955 12.45290 23.09237 
1 1 1  -10   21   49 o  107.251   12.313   34.315   6.8922   33.506   10.440   34.940   9.1757  104.617   19.175  109.885   15.453 -5.268188 24.62655 
1 1 1  -10   21   50 o   60.625   15.448   10.857   6.5531   7.8893   10.261   12.901   8.5158   56.908   22.513   64.342   21.160 -7.433933 30.89608 
1 1 1  -10   21   51 o  103.427   12.613   31.200   6.7607   42.198   10.751   24.006   8.6950  119.257   16.683   87.598   18.922 31.65882 25.22646 
1 1 1  -10   21   52 o   84.978   13.977   24.699   6.7314   13.606   10.253   33.104   8.9244   64.615   23.144  105.341   15.678 -40.72682 27.95465 
1 1 1  -10   21   53 o  107.020   12.700   34.797   7.0750   44.592   10.813   27.464   9.3555  121.569   16.460   92.470   19.345 29.09901 25.39999 
1 1 1  -10   21   54 o   77.983   18.430   19.968   8.3651   26.779   16.154   17.473   9.7782   83.882   29.137   72.084   22.578 11.79720 36.86079 
1 1 1  -10   21   55 o   61.516   17.334   12.742   9.3482   1.1320   16.439   18.291   11.365   53.398   24.604   69.633   24.424 -16.23500 34.66853 
1 1 1  -10   21   56 f  115.302   17.294   49.327   9.9776   49.617   17.571   49.189   12.122  107.543   29.396  123.061   18.228 -15.51825 34.58874 
1 1 1  -10   21   57 o   97.965   14.169   32.771   7.2046   37.964   11.000   28.870   9.5339  104.710   20.173   91.219   19.902 13.49092 28.33786 
1 1 1  -10   22    3 o  276.467   7.3660  206.640   10.983  189.367   15.246  225.279   15.837  264.458   10.668  288.476   10.160 -24.01752 14.73202 
1 1 1  -10   22    5 o  367.324   9.7042  365.217   19.262   0.0000   0.0000  365.217   19.262  ?   ?   367.324   9.7042      ?      ? 
1 1 1  -10   22    6 o  131.647   11.183   47.030   7.9401   43.151   11.074   51.134   11.390  126.046   16.259  137.249   15.358 -11.20279 22.36595 
1 1 1  -10   22    7 o  423.462   7.1746  485.345   16.414  474.149   22.975  497.018   23.459  418.475   10.160  428.450   10.133 -9.975494 14.34911 
1 1 1  -10   22    8 o  655.766   8.8458  1165.80   31.345  1155.63   44.282  1176.01   44.374  652.893   12.552  658.640   12.468 -5.746155 17.69165 
1 1 1  -10   22    9 o  150.508   10.573   61.547   8.5873   60.850   12.428   62.184   11.879  149.671   15.366  151.346   14.526 -1.674026 21.14501 
1 1 1  -10   22   10 o  328.000   10.255  291.409   18.177  291.409   18.177   0.0000   0.0000  328.000   10.255  ?   ?       ?      ? 
1 1 1  -10   22   11 o  304.351   9.8806  250.883   16.250  250.883   16.250   0.0000   0.0000  304.351   9.8806  ?   ?       ?      ? 
1 1 1  -10   22   12 o  173.358   13.564   81.586   12.707   81.586   12.707   0.0000   0.0000  173.358   13.564  ?   ?       ?      ? 
1 1 1  -10   22   13 o  345.702   7.0816  323.879   13.223  313.478   18.740  334.191   18.660  340.156   10.195  351.248   9.8312 -11.09161 14.16326 
1 1 1  -10   22   14 o  817.316   14.800  1815.51   65.364   0.0000   0.0000  1815.51   65.364  ?   ?   817.316   14.800      ?      ? 
1 1 1  -10   22   15 o  175.282   9.0269   83.447   8.5379   84.659   11.815   82.122   12.351  176.639   12.378  173.926   13.142 2.713104 18.05388 
1 1 1  -10   22   16 o  280.653   9.8892  213.411   14.997   0.0000   0.0000  213.411   14.997  ?   ?   280.653   9.8892      ?      ? 
1 1 1  -10   22   17 o  405.939   10.024  446.575   21.987   0.0000   0.0000  446.575   21.987  ?   ?   405.939   10.024      ?      ? 
1 1 1  -10   22   18 o  104.875   16.431   31.576   8.8503   32.442   11.199   30.135   14.444  107.205   20.070  102.545   26.023 4.659653 32.86293 
1 1 1  -10   22   22 o  269.516   13.523  197.815   19.694  197.815   19.694   0.0000   0.0000  269.516   13.523  ?   ?       ?      ? 
1 1 1  -10   22   23 o  142.092   14.879   59.833   10.435   73.243   13.776   41.779   15.984  163.734   15.570  120.451   25.359 43.28314 29.75804 
1 1 1  -10   22   24 o   61.484   16.159  -5.2852   9.3378 -26.8919   12.604   21.002   13.902   36.365   17.929   86.603   26.889 -50.23776 32.31789 
1 1 1  -10   22   25 o  154.377   11.362   68.449   9.0039   51.712   13.951   80.398   11.787  137.014   18.843  171.741   12.701 -34.72729 22.72443 
1 1 1  -10   22   26 o  198.918   11.262  107.741   12.105   0.0000   0.0000  107.741   12.105  ?   ?   198.918   11.262      ?      ? 
1 1 1  -10   22   27 o  328.733   9.4218  293.638   16.736   0.0000   0.0000  293.638   16.736  ?   ?   328.733   9.4218      ?      ? 
1 1 1  -10   22   28 o  102.057   13.912   29.873   7.4410   24.515   10.886   34.573   10.195   92.021   22.157  112.093   16.831 -20.07192 27.82455 
1 1 1  -10   22   29 o  235.519   7.2967  150.687   9.2683  155.720   13.616  146.342   12.652  239.138   10.537  231.899   10.096 7.238968 14.59333 
1 1 1  -10   22   30 o  149.878   9.6653   61.696   7.8120   59.320   11.266   63.897   10.842  147.010   14.182  152.746   13.135 -5.735809 19.33051 
1 1 1  -10   22   31 o  171.400   8.4759   80.643   7.7914   78.040   11.647   82.752   10.482  168.743   12.773  174.057   11.145 -5.314117 16.95173 
1 1 1  -10   22   32 o  234.837   7.0545  150.350   8.9325  151.193   13.087  149.615   12.222  235.383   10.289  234.291   9.6536 1.092606 14.10902 
1 1 1  -10   22   33 o  294.982   6.7120  237.592   10.681  225.085   15.251  249.630   14.962  287.258   9.8253  302.707   9.1470 -15.44897 13.42405 
1 1 1  -10   22   34 o  140.728   10.097   56.734   7.3727   41.879   10.952   69.044   9.9700  122.734   16.514  158.722   11.624 -35.98761 20.19490 
1 1 1  -10   22   35 o  136.167   10.006   51.424   7.3186   49.982   10.866   52.621   9.9010  134.223   14.982  138.111   13.267 -3.888016 20.01147 
1 1 1  -10   22   36 o  152.183   9.1121   63.494   7.4634   69.355   11.180   58.782   10.024  158.428   13.059  145.939   12.711 12.48898 18.22425 
1 1 1  -10   22   37 o  280.599   6.7262  215.939   10.162  195.015   14.372  236.854   14.369  266.802   9.9689  294.396   9.0326 -27.59406 13.45238 
1 1 1  -10   22   38 o   74.194   13.688   14.146   6.5651   29.733   9.7851   1.3862   8.8535  100.926   18.628   47.463   20.062 53.46302 27.37675 
1 1 1  -10   22   39 o  298.996   6.7164  245.629   10.806  240.124   15.921  250.333   14.716  295.658   9.9653  302.333   9.0075 -6.674683 13.43285 
1 1 1  -10   22   40 o   50.939   14.589   2.8873   6.6234  -3.5726   9.7245   8.4775   9.0462   43.491   19.601   58.388   21.614 -14.89668 29.17834 
1 1 1  -10   22   41 o   92.989   13.778   25.705   6.7022   30.289   9.8305   21.724   9.1616  101.186   18.667   84.792   20.270 16.39330 27.55598 
1 1 1  -10   22   42 o   47.021   14.239   0.8135   6.5493  -2.9365   9.9650   3.6650   8.6896   44.402   19.942   49.640   20.331 -5.238083 28.47839 
1 1 1  -10   22   43 o   77.153   17.674   18.912   8.3421   21.199   9.9499   13.500   15.306   82.708   21.913   71.597   27.736 11.11098 35.34769 
1 1 1  -10   22   44 o   58.022   15.483   8.0288   6.7440   11.814   9.7752   4.5911   9.3162   64.174   22.640   51.870   21.125 12.30397 30.96544 
1 1 1  -10   22   45 o   65.108   15.656   12.661   7.1875   2.8941   12.047   18.060   8.9563   54.159   23.164   76.057   21.068 -21.89846 31.31173 
1 1 1  -10   22   46 o   54.298   15.084   4.9153   6.6983   12.396   10.342  -0.4909   8.7916   64.866   23.243   43.729   19.233 21.13663 30.16891 
1 1 1  -10   22   47 o  166.291   8.5282   78.553   7.5658   73.437   11.403   82.576   10.112  160.779   13.125  171.804   10.892 -11.02544 17.05632 
1 1 1  -10   22   48 o  166.306   8.5970   78.430   7.6358   76.137   11.606   80.180   10.139  163.547   13.132  169.065   11.099 -5.517761 17.19408 
1 1 1  -10   22   49 o  118.896   11.489   41.583   7.3281   42.930   11.102   40.543   9.7552  120.046   17.114  117.746   15.332 2.299767 22.97754 
1 1 1  -10   22   50 o   72.798   15.605   17.031   6.6296   20.783   10.254   14.335   8.6903   78.874   22.782   66.722   21.333 12.15185 31.21062 
1 1 1  -10   22   51 o   78.378   15.821   20.853   7.0084   23.868   10.564   18.483   9.3664   83.080   22.828   73.676   21.912 9.403870 31.64254 
1 1 1  -10   22   52 o   98.032   17.223   36.392   8.8465   25.068   17.999   39.999   10.158   80.573   30.357  115.491   16.277 -34.91810 34.44557 
1 1 1  -10   22   53 o   89.796   19.334   29.684   9.9800   32.635   16.542   27.995   12.514   91.066   29.465   88.527   25.040 2.539543 38.66768 
1 1 1  -10   22   54 o   92.850   18.061   37.842   9.8041   28.243   17.442   42.275   11.854   75.997   29.562  109.703   20.757 -33.70613 36.12148 
1 1 1  -10   22   55 o  115.572   12.734   43.422   7.5531   40.220   11.650   45.744   9.9204  108.708   20.587  122.436   14.994 -13.72851 25.46877 
1 1 1  -10   22   56 o  112.766   12.886   42.974   7.4608   39.870   11.470   45.250   9.8225  105.579   20.845  119.952   15.154 -14.37302 25.77127 
1 1 1  -10   23    1 o  197.141   8.4677  105.375   9.0177  109.145   12.869  101.738   12.640  200.611   11.871  193.672   12.078 6.938904 16.93532 
1 1 1  -10   23    2 o  372.458   9.8178  375.779   19.760   0.0000   0.0000  375.779   19.760  ?   ?   372.458   9.8178      ?      ? 
1 1 1  -10   23    3 o  191.379   8.7538   99.326   9.0509  101.654   12.948   97.102   12.656  193.571   12.379  189.187   12.380 4.384079 17.50753 
1 1 1  -10   23    4 o   68.880   16.445   12.109   7.2509   11.500   9.9066   12.811   10.641   67.264   22.836   70.496   23.669 -3.231453 32.88951 
1 1 1  -10   23    5 o  217.536   11.591  128.322   13.625   0.0000   0.0000  128.322   13.625  ?   ?   217.536   11.591      ?      ? 
1 1 1  -10   23    6 o  243.847   12.990  161.396   17.117   0.0000   0.0000  161.396   17.117  ?   ?   243.847   12.990      ?      ? 
1 1 1  -10   23    7 o  325.280   12.761  287.162   22.429   0.0000   0.0000  287.162   22.429  ?   ?   325.280   12.761      ?      ? 
1 1 1  -10   23    8 o  210.499   14.524  120.428   16.520   0.0000   0.0000  120.428   16.520  ?   ?   210.499   14.524      ?      ? 
1 1 1  -10   23    9 o  185.081   10.313   92.185   10.116   88.579   12.978   97.770   16.150  180.608   13.298  189.554   15.767 -8.945786 20.62594 
1 1 1  -10   23   10 o  392.811   9.2351  419.137   19.595  428.153   27.553  409.910   27.873  397.120   12.840  388.503   13.277 8.617432 18.47021 
1 1 1  -10   23   11 o  205.649   10.444  115.010   11.496  136.982   16.642   94.955   15.899  224.528   13.717  186.769   15.754 37.75854 20.88831 
1 1 1  -10   23   12 o  450.777   9.7159  551.680   23.647  538.513   32.644  566.216   34.301  445.157   13.571  456.397   13.908 -11.24017 19.43187 
1 1 1  -10   23   13 o  420.827   9.5336  480.744   21.664  504.504   31.260  458.784   30.052  430.830   13.427  410.824   13.537 20.00565 19.06710 
1 1 1  -10   23   14 o  410.470   9.4140  458.118   20.878  465.315   29.507  450.901   29.547  413.722   13.198  407.219   13.427 6.502228 18.82799 
1 1 1  -10   23   15 o  388.635   9.4386  410.804   19.821  409.910   27.922  411.712   28.142  388.216   13.310  389.053   13.386 -0.8374634 18.87729 
1 1 1  -10   23   19 o   86.470   20.141   19.632   10.722   16.935   13.742   23.829   17.141   80.036   26.897   92.905   29.988 -12.86901 40.28292 
1 1 1  -10   23   20 o  337.426   7.8809  311.708   13.941  300.000   22.412  319.096   17.804  331.960   12.494  342.892   9.6088 -10.93146 15.76190 
1 1 1  -10   23   21 f  199.972   11.756  108.829   12.703   0.0000   0.0000  108.829   12.703  ?   ?   199.972   11.756      ?      ? 
1 1 1  -10   23   22 o  253.475   10.431  174.685   14.287   0.0000   0.0000  174.685   14.287  ?   ?   253.475   10.431      ?      ? 
1 1 1  -10   23   23 o  240.558   10.536  157.441   13.695   0.0000   0.0000  157.441   13.695  ?   ?   240.558   10.536      ?      ? 
1 1 1  -10   23   24 o  201.091   8.3587  111.143   9.0026  100.782   13.223  120.094   12.291  192.140   12.736  210.042   10.829 -17.90227 16.71740 
1 1 1  -10   23   25 o  292.449   7.0358  232.826   11.104  220.144   15.759  245.329   15.648  284.473   10.252  300.424   9.6389 -15.95059 14.07167 
1 1 1  -10   23   26 o  264.319   10.013  190.090   14.302   0.0000   0.0000  190.090   14.302  ?   ?   264.319   10.013      ?      ? 
1 1 1  -10   23   27 o   47.630   14.568  -2.7131   7.2346  -9.6833   10.295   4.0880   10.169   40.406   18.905   54.854   22.169 -14.44757 29.13515 
1 1 1  -10   23   28 o  235.211   7.5215  150.431   9.5402  158.714   14.054  143.351   12.993  241.165   10.784  229.257   10.488 11.90779 15.04297 
1 1 1  -10   23   29 o   64.569   15.729   9.8186   7.2883   1.1027   10.759   17.211   9.9081   52.014   22.057   77.124   22.429 -25.10983 31.45753 
1 1 1  -10   23   30 o  198.518   8.2508  108.875   8.7538   99.372   13.014  116.727   11.830  190.306   12.656  206.730   10.590 -16.42448 16.50167 
1 1 1  -10   23   31 o  204.605   11.555  114.652   12.776  114.652   12.776   0.0000   0.0000  204.605   11.555  ?   ?       ?      ? 
1 1 1  -10   23   32 o   94.607   14.684   25.995   7.3070   31.040   10.795   21.728   9.9271  103.331   20.056   85.883   21.453 17.44850 29.36823 
1 1 1  -10   23   33 f   99.582   13.717   28.920   7.0813   28.577   10.571   29.200   9.5376   98.655   20.499  100.509   18.232 -1.854195 27.43374 
1 1 1  -10   23   34 o   75.796   14.770   16.358   7.1966   3.5302   10.441   27.968   9.9330   53.854   22.198   97.738   19.491 -43.88353 29.54058 
1 1 1  -10   23   36 o   36.017   12.196 -15.9307   6.9575  -5.2250   10.013 -25.9233   9.6742   42.889   19.551   29.144   14.586 13.74507 24.39200 
1 1 1  -10   23   37 o  170.336   8.7300   81.074   7.9658   71.806   11.543   89.501   11.007  160.620   13.299  180.052   11.313 -19.43188 17.46005 
1 1 1  -10   23   38 o   80.590   15.666   19.765   7.1147   23.438   10.066   16.099   10.058   87.875   21.397   73.304   22.889 14.57105 31.33277 
1 1 1  -10   23   39 o  259.389   9.6201  185.065   13.484   0.0000   0.0000  185.065   13.484  ?   ?   259.389   9.6201      ?      ? 
1 1 1  -10   23   40 o  105.994   12.849   32.453   7.1180   40.494   10.725   26.122   9.5161  118.886   16.694   93.102   19.538 25.78310 25.69897 
1 1 1  -10   23   41 o   56.064   15.365   7.0180   6.7289   3.8994   10.310   9.3324   8.8815   52.938   21.959   59.190   21.496 -6.252094 30.72925 
1 1 1  -10   23   42 o  105.737   15.606   36.093   8.4187   40.744   10.553   27.950   13.963  119.005   16.410   92.468   26.549 26.53742 31.21119 
1 1 1  -10   23   43 o  135.273   11.076   54.595   7.6542   36.311   11.056   71.423   10.607  111.095   18.417  159.452   12.311 -48.35761 22.15293 
1 1 1  -10   23   44 o   72.006   16.488   14.899   7.3791   23.446   11.876   9.5244   9.4175   84.708   24.533   59.305   22.034 25.40305 32.97512 
1 1 1  -10   23   45 o   71.935   12.488   13.538   6.7602  -6.5809   9.8463   31.479   9.2981   40.113   18.675  103.758   16.584 -63.64467 24.97545 
1 1 1  -10   23   46 o  194.927   7.9605  107.584   8.2906   97.140   12.261  116.381   11.253  185.480   12.233  204.374   10.190 -18.89360 15.92103 
1 1 1  -10   23   47 o  177.705   8.4758   89.184   8.1068   93.159   12.107   85.953   10.915  181.005   12.379  174.405   11.581 6.599304 16.95160 
1 1 1  -10   23   48 o   38.772   12.820  -7.9611   6.7116  -1.7788   10.014 -13.0031   9.0434   44.393   19.960   33.151   16.093 11.24159 25.63933 
1 1 1  -10   23   49 o  123.473   11.045   44.767   7.3079   52.361   11.212   39.158   9.6360  132.386   15.673  114.560   15.566 17.82632 22.08923 
1 1 1  -10   23   50 o   49.697   14.835   4.0115   6.9101   0.2612   10.897   6.5338   8.9366   47.345   21.087   52.050   20.871 -4.705120 29.66911 
1 1 1  -10   23   51 o  107.829   17.301   44.858   10.492   22.703   17.348   57.635   13.175   78.133   29.715  137.526   17.728 -59.39268 34.60208 
1 1 1  -10   23   52 o  144.760   14.187   66.805   10.574   76.194   18.209   62.027   12.989  148.633   22.671  140.887   17.061 7.746841 28.37393 
1 1 1  -10   23   53 o   47.563   14.897  -1.6754   8.2209 -13.6632   11.248   12.072   12.045   36.075   17.609   59.051   24.032 -22.97612 29.79317 
1 1 1  -10   23   54 o  102.543   14.077   38.058   7.3246   25.335   11.508   46.722   9.4966   80.970   24.335  124.116   14.160 -43.14629 28.15462 
1 1 1  -10   23   55 o   57.889   16.117   12.525   7.3436   12.979   11.429   12.205   9.5835   58.403   23.538   57.375   22.022 1.027489 32.23372 
1 1 1  -10   24    1 o  422.772   9.3239  485.708   21.294  503.604   30.399  468.468   29.836  430.438   13.069  415.107   13.301 15.33127 18.64773 
1 1 1  -10   24    2 o  203.316   9.5919  112.284   10.530  118.784   15.154  106.216   14.641  209.012   13.418  197.619   13.711 11.39357 19.18373 
1 1 1  -10   24    3 o  571.126   11.103  888.670   34.253  876.126   47.698  902.027   49.220  567.008   15.568  575.244   15.834 -8.235229 22.20537 
1 1 1  -10   24    4 o  299.428   8.5668  242.691   13.834  230.631   18.854  256.757   20.361  291.415   11.973  307.440   12.256 -16.02548 17.13357 
1 1 1  -10   24    5 o  123.202   14.276   42.388   9.1455   43.198   12.040   41.284   14.061  125.727   17.722  120.677   22.387 5.049065 28.55295 
1 1 1  -10   24    6 o  210.351   9.4334  119.498   10.683  110.495   14.373  130.608   15.967  201.577   13.196  219.125   13.485 -17.54797 18.86687 
1 1 1  -10   24    7 o  134.151   14.136   50.694   9.8508   56.464   13.414   43.941   14.512  143.750   17.269  124.552   22.385 19.19841 28.27260 
1 1 1  -10   24    8 o  263.426   9.1085  189.089   12.937  196.757   17.954  180.811   18.656  269.060   12.349  257.793   13.393 11.26730 18.21692 
1 1 1  -10   24    9 o  383.973   12.650  400.901   26.247  400.901   26.247   0.0000   0.0000  383.973   12.650  ?   ?       ?      ? 
1 1 1  -10   24   10 o  103.226   15.128   28.710   8.5439   50.000   13.123   13.048   11.256  135.140   17.971   71.312   24.341 63.82834 30.25655 
1 1 1  -10   24   11 o  269.206   13.119  197.230   19.084  197.230   19.084   0.0000   0.0000  269.206   13.119  ?   ?       ?      ? 
1 1 1  -10   24   12 o  101.943   20.735   30.531   10.683   22.883   24.305   32.363   11.893   97.311   35.526  106.576   21.395 -9.265785 41.47098 
1 1 1  -10   24   13 o  245.655   14.280  172.702   18.140  135.068   27.991  199.955   23.819  220.876   23.452  270.434   16.300 -49.55841 28.56024 
1 1 1  -10   24   14 o  125.033   22.205   44.606   14.870   54.865   23.203   37.455   19.371  136.715   31.978  113.350   30.816 23.36557 44.40965 
1 1 1  -10   24   15 o  222.281   13.694  135.405   16.393  142.117   24.407  129.887   22.127  227.173   19.882  217.389   18.837 9.784317 27.38847 
1 1 1  -10   24   16 o  144.109   17.337   77.163   11.001  100.587   13.248   25.135   19.745  192.146   12.760   96.071   32.241 96.07507 34.67417 
1 1 1  -10   24   17 o   97.188   14.886   27.104   7.8931   38.855   11.230   15.632   11.096  118.924   17.476   75.452   24.103 43.47210 29.77178 
1 1 1  -10   24   18 o  156.460   9.9551   66.852   8.4004   72.802   12.084   61.287   11.686  163.239   13.699  149.681   14.448 13.55791 19.91020 
1 1 1  -10   24   19 o   48.377   14.934  -1.7832   7.3943  -3.4160   10.611  -0.2420   10.309   47.000   20.878   49.754   21.358 -2.754074 29.86744 
1 1 1  -10   24   20 o  137.096   11.107   51.650   8.2046   56.434   11.654   46.948   11.553  143.489   15.030  130.704   16.358 12.78535 22.21429 
1 1 1  -10   24   21 o  189.379   8.7572   97.875   8.9328   97.651   13.161   98.066   12.164  189.103   12.879  189.656   11.869 -0.5525513 17.51433 
1 1 1  -10   24   22 o  129.987   12.535   47.694   8.2590   64.025   11.971   32.858   11.409  152.857   14.493  107.117   20.457 45.73907 25.07088 
1 1 1  -10   24   23 o  117.278   13.006   38.441   7.9861   32.074   10.945   45.689   11.679  105.840   19.867  128.716   16.791 -22.87540 26.01205 
1 1 1  -10   24   24 o  178.216   12.328   86.860   11.872   0.0000   0.0000   86.860   11.872  ?   ?   178.216   12.328      ?      ? 
1 1 1  -10   24   25 o  424.779   7.0974  491.981   16.285  483.129   23.205  500.572   22.860  420.952   10.201  428.607   9.8704 -7.655029 14.19473 
1 1 1  -10   24   26 o  316.625   9.5195  273.151   16.287   0.0000   0.0000  273.151   16.287  ?   ?   316.625   9.5195      ?      ? 
1 1 1  -10   24   27 o  202.839   8.0729  112.636   8.8420  108.202   12.542  117.018   12.467  198.810   11.675  206.869   11.153 -8.058517 16.14572 
1 1 1  -10   24   28 o  195.240   11.204  104.304   11.820   0.0000   0.0000  104.304   11.820  ?   ?   195.240   11.204      ?      ? 
1 1 1  -10   24   29 o  208.931   7.8378  119.986   8.8081  108.296   12.570  131.265   12.346  198.733   11.705  219.128   10.427 -20.39444 15.67558 
1 1 1  -10   24   30 o   60.156   15.621   7.2882   7.2621  -1.0486   10.662   14.503   9.9184   48.990   21.372   71.321   22.789 -22.33113 31.24263 
1 1 1  -10   24   31 o  279.083   7.0992  213.894   10.645  206.419   15.755  220.174   14.440  274.362   10.627  283.805   9.4161 -9.443207 14.19847 
1 1 1  -10   24   32 o  136.286   10.591   51.747   7.7847   56.014   11.121   47.646   10.901  141.925   14.500  130.647   15.441 11.27826 21.18256 
1 1 1  -10   24   33 o  159.479   9.2413   69.269   7.8955   82.530   12.050   59.293   10.452  172.679   12.914  146.280   13.223 26.39891 18.48260 
1 1 1  -10   24   34 o   94.513   15.100   26.925   7.5417   23.713   10.906   29.868   10.440   88.500   22.697  100.526   19.924 -12.02601 30.20083 
1 1 1  -10   24   35 o  141.822   10.357   57.280   7.7725   45.238   11.146   68.680   10.844  126.457   16.311  157.187   12.767 -30.73027 20.71362 
1 1 1  -10   24   36 o  397.127   9.6653  433.523   20.741   0.0000   0.0000  433.523   20.741  ?   ?   397.127   9.6653      ?      ? 
1 1 1  -10   24   37 o  164.906   9.0075   75.490   8.0074   81.406   11.824   70.477   10.883  170.818   12.809  158.994   12.667 11.82368 18.01500 
1 1 1  -10   24   38 o  180.972   8.4302   91.423   8.1884   89.491   12.230   92.992   11.024  178.892   12.651  183.052   11.145 -4.160110 16.86041 
1 1 1  -10   24   39 o  160.750   9.1988   72.879   7.9390   65.413   11.423   79.855   11.042  152.334   13.877  169.166   12.079 -16.83162 18.39760 
1 1 1  -10   24   40 o  111.542   12.947   36.819   7.4234   48.416   10.837   26.567   10.189  130.185   15.405   92.899   20.814 37.28593 25.89466 
1 1 1  -10   24   41 o  124.469   13.708   43.184   8.8704   36.197   10.878   57.050   15.325  111.067   18.125  137.871   20.570 -26.80396 27.41599 
1 1 1  -10   24   42 o   83.098   16.848   15.271   8.3945   4.0198   9.9439   43.176   15.660   51.749   21.525  114.447   25.924 -62.69769 33.69502 
1 1 1  -10   24   43 o   62.611   15.919   11.258   7.3400   3.1014   12.023   16.105   9.2676   53.857   23.090   71.364   21.920 -17.50711 31.83816 
1 1 1  -10   24   44 o   74.169   16.032   17.602   6.9862   17.149   10.746   17.934   9.1943   73.196   23.756   75.143   21.535 -1.947617 32.06352 
1 1 1  -10   24   45 o  184.690   8.2427   96.558   8.1451   94.794   12.336   97.922   10.845  182.587   12.503  186.794   10.745 -4.207764 16.48542 
1 1 1  -10   24   46 o   75.291   16.130   18.491   7.0815   20.544   10.777   16.931   9.3940   78.455   23.543   72.127   22.055 6.328407 32.25998 
1 1 1  -10   24   47 o  106.423   13.808   37.719   7.3782   26.717   11.491   45.436   9.6241   88.232   23.629  124.614   14.292 -36.38242 27.61525 
1 1 1  -10   24   48 o   39.280   13.048  -6.6496   7.0348  -6.0960   10.312  -7.1315   9.6216   40.431   18.918   38.128   17.976 2.303436 26.09645 
1 1 1  -10   24   49 o   61.973   17.135   7.9798   10.190 -16.5721   17.226   21.194   12.638   46.705   22.562   77.241   25.795 -30.53548 34.26937 
1 1 1  -10   24   50 o   84.235   18.856   28.498   10.620   14.480   18.567   35.315   12.948   68.167   28.945  100.303   24.173 -32.13645 37.71165 
1 1 1  -10   24   51 o   51.766   15.580   4.5177   8.4102   14.822   11.587  -6.9572   12.227   62.137   24.115   41.395   19.732 20.74210 31.15941 
1 1 1  -10   24   52 o  124.413   12.154   50.293   7.6107   41.686   11.704   56.599   10.018  111.093   20.242  137.733   13.460 -26.63979 24.30895 
1 1 1  -10   24   53 o   62.345   15.565   14.351   7.4078   4.2700   11.139   22.344   9.9190   48.545   21.486   76.144   22.527 -27.59850 31.13027 
1 1 1  -10   25    3 o   74.773   16.617   15.379   7.4872   15.839   10.563   14.914   10.615   75.622   23.431   73.925   23.570 1.696709 33.23491 
1 1 1  -10   25    5 o  191.703   8.6338   99.889   8.9365   97.299   12.340  102.746   12.959  189.108   12.075  194.298   12.343 -5.190903 17.26757 
1 1 1  -10   25    6 o  126.846   12.010   44.000   8.2205   47.374   11.891   40.911   11.377  131.521   16.732  122.170   17.234 9.351257 24.01978 
1 1 1  -10   25    7 o  122.255   13.163   42.348   8.1763   29.194   11.394   56.312   11.740  100.958   21.542  143.553   15.134 -42.59518 26.32694 
1 1 1  -10   25    8 o  186.888   13.741   78.530   11.342  129.977   27.168   67.670   12.482  216.379   23.236  157.398   14.676 58.98074 27.48226 
1 1 1  -10   25    9 f  243.942   13.355  166.140   17.258  149.572   26.340  178.604   22.846  232.612   20.955  255.271   16.562 -22.65919 26.70973 
1 1 1  -10   25   10 o  130.234   22.813   50.552   15.925   46.779   24.116   53.468   21.206  125.463   34.498  135.005   29.861 -9.541313 45.62656 
1 1 1  -10   25   11 o  385.275   11.813  405.652   24.289  324.549   33.159  499.549   35.679  343.467   17.866  427.084   15.460 -83.61722 23.62621 
1 1 1  -10   25   12 o  152.772   19.486   69.549   15.174   54.324   23.326   80.721   19.980  135.090   32.376  170.454   21.692 -35.36391 38.97148 
1 1 1  -10   25   13 o  325.965   10.115  288.913   17.817   0.0000   0.0000  288.913   17.817  ?   ?   325.965   10.115      ?      ? 
1 1 1  -10   25   14 o  128.758   11.960   45.521   8.3131   47.790   12.091   43.486   11.449  131.788   16.978  125.729   16.851 6.058617 23.92096 
1 1 1  -10   25   15 o  163.586   10.040   73.216   8.8738   72.168   12.412   74.311   12.692  162.398   14.144  164.774   14.254 -2.376541 20.08055 
1 1 1  -10   25   16 o   56.864   16.113   4.7205   7.5238   5.8224   10.127   3.3629   11.240   57.483   22.480   56.244   23.090 1.238857 32.22531 
1 1 1  -10   25   17 o  348.125   6.9888  329.792   13.137  318.504   18.699  340.795   18.461  342.186   10.113  354.064   9.6492 -11.87811 13.97762 
1 1 1  -10   25   18 o  112.896   13.327   36.335   7.8102   42.541   10.853   29.669   11.248  124.351   16.152  101.441   21.202 22.91035 26.65384 
1 1 1  -10   25   19 o  341.899   9.7854  318.094   18.079   0.0000   0.0000  318.094   18.079  ?   ?   341.899   9.7854      ?      ? 
1 1 1  -10   25   20 o   83.348   16.445   20.073   7.7121   17.535   10.665   22.854   11.166   78.231   23.407   88.465   23.105 -10.23368 32.89020 
1 1 1  -10   25   21 o  157.000   9.8376   67.750   8.3285   68.263   11.442   67.173   12.146  157.721   13.425  156.279   14.383 1.442108 19.67513 
1 1 1  -10   25   22 o   39.342   13.081 -10.4926   7.1677 -13.7137   10.322  -7.4928   9.9611   37.462   17.932   41.221   19.049 -3.759407 26.16153 
1 1 1  -10   25   23 o  152.187   10.029   63.769   8.2385   67.734   11.751   59.937   11.554  156.903   13.859  147.471   14.499 9.432236 20.05737 
1 1 1  -10   25   24 o  141.825   11.022   56.335   8.1641   74.571   11.764   39.394   11.339  164.717   13.217  118.934   17.643 45.78331 22.04484 
1 1 1  -10   25   26 o   89.191   15.806   23.526   7.6057   22.633   10.779   24.411   10.733   87.464   22.633   90.918   22.070 -3.454117 31.61197 
1 1 1  -10   25   27 o   79.749   16.113   18.767   7.2930   18.018   10.210   19.547   10.420   78.243   22.773   81.256   22.802 -3.013641 32.22629 
1 1 1  -10   25   28 o  349.039   9.4310  333.032   17.788   0.0000   0.0000  333.032   17.788  ?   ?   349.039   9.4310      ?      ? 
1 1 1  -10   25   29 o  195.422   11.386  105.035   12.024   0.0000   0.0000  105.035   12.024  ?   ?   195.422   11.386      ?      ? 
1 1 1  -10   25   30 o  255.824   7.2878  180.302   10.007  156.671   14.154  203.925   14.151  238.732   10.972  272.916   9.5956 -34.18428 14.57570 
1 1 1  -10   25   31 f  327.864   6.9527  295.124   12.302  283.526   17.598  306.209   17.205  321.407   10.132  334.320   9.5234 -12.91348 13.90545 
1 1 1  -10   25   32 o   79.442   15.631   17.423   7.4837   30.181   11.449   7.9047   9.8888  100.079   21.789   58.805   22.418 41.27423 31.26201 
1 1 1  -10   25   33 o   83.434   15.792   21.049   7.4013   27.009   10.715   15.610   10.236   94.424   21.483   72.444   23.151 21.97965 31.58329 
1 1 1  -10   25   34 o  361.127   9.5830  358.523   18.700   0.0000   0.0000  358.523   18.700  ?   ?   361.127   9.5830      ?      ? 
1 1 1  -10   25   35 o  171.453   9.0461   82.074   8.3148   82.578   12.579   81.683   11.081  171.567   13.568  171.339   11.968 0.2286835 18.09224 
1 1 1  -10   25   36 o   71.206   16.346   14.706   7.3826   20.693   10.915   9.6580   10.023   81.360   23.507   61.051   22.722 20.30838 32.69297 
1 1 1  -10   25   37 o  196.591   8.1743  107.914   8.6346   94.819   12.182  121.134   12.240  184.218   12.238  208.963   10.840 -24.74438 16.34855 
1 1 1  -10   25   38 o  143.803   10.101   58.727   7.7939   58.280   11.695   59.083   10.453  142.883   15.147  144.724   13.367 -1.840714 20.20185 
1 1 1  -10   25   39 o  177.074   8.8088   88.161   8.4031   88.649   12.382   87.745   11.441  177.259   12.927  176.888   11.969 0.3710022 17.61762 
1 1 1  -10   25   40 o   48.260   15.366  -6.1208   8.2437 -12.8163   10.278   5.9572   13.804   36.713   17.657   59.808   25.152 -23.09471 30.73117 
1 1 1  -10   25   41 o  122.493   15.763   49.225   9.3581   53.727   11.506   40.428   16.084  136.126   15.642  108.860   27.371 27.26623 31.52554 
1 1 1  -10   25   42 o   59.644   16.481   8.8341   7.6325   9.8626   11.648   8.0602   10.104   61.814   24.127   57.474   22.460 4.339977 32.96272 
1 1 1  -10   25   43 f  126.438   11.347   47.408   7.6389   40.159   11.050   54.044   10.572  116.042   17.623  136.833   14.298 -20.79134 22.69305 
1 1 1  -10   25   44 o   57.604   15.782   8.4179   7.2038   4.1378   10.509   12.212   9.8941   51.953   21.903   63.256   22.728 -11.30309 31.56388 
1 1 1  -10   25   45 o   92.846   14.537   28.908   7.6585   14.084   11.009   42.807   10.660   66.082   23.943  119.609   16.494 -53.52607 29.07426 
1 1 1  -10   25   46 o  162.032   10.004   78.722   8.5468   63.933   12.534   91.575   11.685  145.759   15.914  178.305   12.127 -32.54626 20.00791 
1 1 1  -10   25   47 o   92.717   19.946   32.970   10.956   29.077   18.035   35.248   13.793   85.608   30.693   99.826   25.483 -14.21764 39.89291 
1 1 1  -10   25   48 o   37.933   13.252 -26.8163   10.300 -54.7973   17.955 -13.0901   12.575   35.409   17.976   40.457   19.476 -5.048164 26.50360 
1 1 1  -10   25   49 o   94.437   17.613   34.570   9.0634   32.735   12.075   36.937   13.717   92.743   23.933   96.132   25.846 -3.389465 35.22559 
1 1 1  -10   25   50 f   44.067   14.029  -1.8471   7.4044 -10.1193   10.659   5.8664   10.293   37.288   17.946   50.846   21.569 -13.55815 28.05836 
1 1 1  -10   25   51 o   47.118   14.204  -1.8359   7.1189   14.496   10.983 -13.6680   9.3484   62.120   23.639   32.117   15.756 30.00327 28.40888 
1 1 1  -10   26    1 o  247.133   7.3849  162.151   9.7374  134.297   12.731  201.422   15.116  222.148   10.605  272.117   10.280 -49.96977 14.76989 
1 1 1  -10   26    2 o   65.184   16.435   10.369   7.2910   10.159   9.9780   10.610   10.680   64.333   22.855   66.036   23.625 -1.702545 32.87054 
1 1 1  -10   26    3 o  157.307   18.513   73.458   10.986   67.072   27.277   74.694   12.003  149.299   34.503  165.315   13.437 -16.01610 37.02684 
1 1 1  -10   26    4 o  130.657   22.361   55.596   17.276   18.264   28.540   77.185   21.703   95.382   37.604  165.931   24.205 -70.54898 44.72103 
1 1 1  -10   26    5 o  112.791   24.467   37.713   16.342   33.423   25.183   40.833   21.478  108.465   36.411  117.117   32.692 -8.651993 48.93393 
1 1 1  -10   26    6 o  145.871   21.555   65.095   16.306   48.874   25.968   75.653   20.951  127.308   36.091  164.434   23.579 -37.12563 43.11088 
1 1 1  -10   26    7 o  145.820   22.335   60.872   16.681   73.986   27.482   53.221   20.991  157.412   33.346  134.228   29.724 23.18359 44.67045 
1 1 1  -10   26    8 o  319.034   12.245  280.953   21.047  269.820   30.566  290.991   29.023  312.734   18.087  325.333   16.509 -12.59869 24.48905 
1 1 1  -10   26    9 o  154.660   10.188   64.378   8.4047   51.628   11.171   81.006   12.758  137.221   15.066  172.099   13.719 -34.87762 20.37629 
1 1 1  -10   26   10 o  216.928   7.9880  128.110   9.3592  124.522   12.994  131.978   13.491  213.783   11.248  220.074   11.345 -6.291794 15.97609 
1 1 1  -10   26   11 o   99.536   15.035   28.660   7.9941   34.909   11.033   21.753   11.599  112.404   18.164   86.668   23.964 25.73577 30.07019 
1 1 1  -10   26   12 o  101.476   14.832   29.674   7.8638   29.748   11.200   29.602   11.044  101.574   21.095  101.379   20.855 0.1957626 29.66416 
1 1 1  -10   26   13 o  140.346   10.982   54.212   8.3218   55.416   11.630   52.949   11.913  142.003   15.156  138.689   15.896 3.313919 21.96333 
1 1 1  -10   26   14 o   70.643   16.721   11.748   7.8593   4.9154   10.403   20.833   11.996   56.473   22.563   84.812   24.683 -28.33907 33.44178 
1 1 1  -10   26   15 o  369.191   9.8449  371.223   19.640   0.0000   0.0000  371.223   19.640  ?   ?   369.191   9.8449      ?      ? 
1 1 1  -10   26   16 o  145.600   15.673   58.505   12.331   0.0000   0.0000   58.505   12.331  ?   ?   145.600   15.673      ?      ? 
1 1 1  -10   26   17 o  295.433   7.2602  237.705   11.581  248.150   16.791  228.228   15.993  301.603   10.303  289.263   10.232 12.34061 14.52041 
1 1 1  -10   26   18 f   75.693   14.345   12.763   7.4403  -2.8250   9.9796   32.271   11.164   45.728   20.283  105.657   20.292 -59.92944 28.69077 
1 1 1  -10   26   19 o  313.929   9.9179  268.801   16.824   0.0000   0.0000  268.801   16.824  ?   ?   313.929   9.9179      ?      ? 
1 1 1  -10   26   20 o  295.741   7.1488  238.710   11.424  239.893   16.223  237.546   16.090  296.463   10.127  295.019   10.093 1.443848 14.29757 
1 1 1  -10   26   21 o  182.976   8.6831   91.700   8.5771   86.823   11.855   97.057   12.424  177.867   12.335  188.084   12.225 -10.21678 17.36618 
1 1 1  -10   26   22 o  174.419   9.2266   83.615   8.6296   70.434   11.920   98.133   12.510  159.803   13.804  189.036   12.247 -29.23334 18.45327 
1 1 1  -10   26   23 o   80.129   16.928   18.846   7.9019   17.434   11.058   20.320   11.296   77.417   23.972   82.841   23.907 -5.423729 33.85520 
1 1 1  -10   26   24 o  405.850   9.9086  450.645   21.730   0.0000   0.0000  450.645   21.730  ?   ?   405.850   9.9086      ?      ? 
1 1 1  -10   26   25 o  131.342   11.426   48.797   7.9951   40.529   11.476   56.594   11.145  119.958   17.704  142.726   14.450 -22.76774 22.85276 
1 1 1  -10   26   26 o  281.109   9.8612  216.417   14.979   0.0000   0.0000  216.417   14.979  ?   ?   281.109   9.8612      ?      ? 
1 1 1  -10   26   27 o   57.382   15.844   6.2917   7.1978   3.2880   10.128   9.3575   10.232   52.776   21.818   61.988   22.979 -9.211449 31.68711 
1 1 1  -10   26   28 o  202.859   8.2457  112.413   8.9939  126.590   13.531  101.193   12.038  214.192   11.691  191.525   11.631 22.66702 16.49147 
1 1 1  -10   26   29 o   52.607   14.139  -2.0772   7.3304 -21.6675   10.725   15.101   10.043   33.557   16.543   71.657   22.935 -38.09957 28.27875 
1 1 1  -10   26   30 o   64.686   16.212   10.835   7.2887   15.816   10.546   6.2801   10.085   72.950   23.519   56.422   22.319 16.52723 32.42324 
1 1 1  -10   26   31 o  184.828   11.801   94.725   11.786   0.0000   0.0000   94.725   11.786  ?   ?   184.828   11.801      ?      ? 
1 1 1  -10   26   32 o   54.024   15.325   3.0236   7.3354   11.338   10.545  -4.7726   10.211   64.694   23.433   43.355   19.755 21.33855 30.64931 
1 1 1  -10   26   33 o   64.898   16.067   10.615   7.3599   18.551   10.855   3.8625   10.013   77.381   23.716   52.415   21.683 24.96607 32.13437 
1 1 1  -10   26   34 o  155.484   10.088   68.743   8.3921   58.575   11.937   78.681   11.801  143.479   15.396  167.489   13.039 -24.01010 20.17562 
1 1 1  -10   26   35 o   91.738   15.989   26.336   7.8749   27.338   11.294   25.389   10.986   93.459   22.610   90.017   22.614 3.441971 31.97801 
1 1 1  -10   26   36 o  191.010   8.6457  103.285   8.8225   88.118   12.683  117.506   12.281  176.659   13.286  205.362   11.067 -28.70271 17.29132 
1 1 1  -10   26   37 o  292.556   9.8128  237.286   15.513   0.0000   0.0000  237.286   15.513  ?   ?   292.556   9.8128      ?      ? 
1 1 1  -10   26   38 o   48.841   14.822   0.2283   7.4032  -7.1075   10.792   6.7481   10.174   41.932   19.532   55.750   22.300 -13.81782 29.64374 
1 1 1  -10   26   39 o   72.850   17.098   17.475   8.5742   23.403   10.485   5.5045   14.898   85.283   22.446   60.417   25.798 24.86609 34.19568 
1 1 1  -10   26   40 o  210.088   9.9395  123.298   10.802  116.060   13.313  137.252   18.484  202.781   12.149  217.395   15.735 -14.61414 19.87908 
1 1 1  -10   26   41 o   54.186   15.876   5.0093   7.8331  -0.3466   11.859   9.1542   10.433   49.478   22.021   58.893   22.876 -9.414932 31.75217 
1 1 1  -10   26   42 o  197.042   11.936  110.161   12.709   0.0000   0.0000  110.161   12.709  ?   ?   197.042   11.936      ?      ? 
1 1 1  -10   26   43 o   83.041   15.844   22.515   7.4753   31.662   11.290   15.374   9.9753   97.929   21.885   68.152   22.916 29.77699 31.68780 
1 1 1  -10   26   44 o   55.194   22.082   8.0188   9.9787   0.0000   0.0000   8.0188   9.9787  ?   ?    55.194   22.082      ?      ? 
1 1 1  -10   26   45 o  118.610   18.644   53.688   11.931   35.270   19.179   65.315   15.238   92.740   31.772  144.481   19.518 -51.74170 37.28852 
1 1 1  -10   26   46 o  106.060   16.925   44.836   11.828   7.7815   18.949   68.491   15.140   63.641   28.103  148.479   18.870 -84.83786 33.85030 
1 1 1  -10   26   47 o   49.676   15.630   2.1470   8.8506   8.5420   11.616  -6.7050   13.666   54.993   23.097   44.360   21.065 10.63302 31.26010 
1 1 1  -10   26   48 o  122.205   12.141   47.638   8.0164   48.255   11.341   47.021   11.333  123.132   17.044  121.278   17.294 1.854179 24.28123 
1 1 1  -10   26   49 o   72.050   16.250   18.815   7.6244   28.554   11.250   10.541   10.369   87.324   23.378   56.775   22.576 30.54918 32.49908 
1 1 1  -10   26   50 o  129.158   11.528   54.079   8.0229   52.243   11.604   55.760   11.104  126.077   17.033  132.239   15.540 -6.161919 23.05684 
1 1 1  -10   27    1 o  108.308   19.410   33.566   10.942   0.0000   0.0000   33.566   10.942  ?   ?   108.308   19.410      ?      ? 
1 1 1  -10   27    2 o   85.259   24.279   13.059   17.060   11.158   26.354   14.430   22.382   85.941   35.327   84.576   33.315 1.364212 48.55771 
1 1 1  -10   27    3 o  256.738   15.073  189.734   20.086  162.995   31.778  207.523   25.920  239.764   24.528  273.712   17.525 -33.94734 30.14502 
1 1 1  -10   27    4 o  115.996   19.012   42.059   10.026   44.446   11.208   32.500   22.429  126.861   16.350  105.131   34.329 21.72997 38.02390 
1 1 1  -10   27    5 o  264.289   7.4279  190.564   10.592  188.650   15.366  192.297   14.620  262.952   10.815  265.627   10.185 -2.675568 14.85583 
1 1 1  -10   27    6 o  258.901   7.3805  182.402   10.313  194.664   14.955  171.283   14.241  267.199   10.358  250.604   10.517 16.59441 14.76097 
1 1 1  -10   27    7 o  124.259   11.732   42.798   7.7865   51.343   11.217   34.852   10.817  136.486   15.210  112.033   17.868 24.45332 23.46480 
1 1 1  -10   27    8 o   83.863   15.382   20.679   7.3022   27.797   10.145   13.027   10.519   98.115   19.818   69.612   23.531 28.50248 30.76499 
1 1 1  -10   27    9 o   94.395   15.134   25.744   7.5693   20.717   10.304   31.637   11.156   84.184   22.296  104.606   20.470 -20.42157 30.26794 
1 1 1  -10   27   10 o  147.411   10.568   59.525   8.3372   48.922   11.339   72.006   12.301  133.043   15.772  161.780   14.071 -28.73627 21.13653 
1 1 1  -10   27   11 o   92.878   15.633   25.236   7.8590   18.219   10.934   32.736   11.304   79.350   23.691  106.407   20.402 -27.05706 31.26532 
1 1 1  -10   27   12 o   54.518   15.782   2.1679   7.7712   8.4309   10.764  -4.6502   11.231   62.086   23.456   46.950   21.121 15.13586 31.56394 
1 1 1  -10   27   13 o  172.779   9.5365   82.162   8.8840   88.737   12.607   75.675   12.522  179.764   12.978  165.794   13.977 13.96991 19.07291 
1 1 1  -10   27   14 f  244.895   7.8314  164.080   10.355  162.075   14.900  165.952   14.401  243.379   11.329  246.411   10.815 -3.031494 15.66282 
1 1 1  -10   27   15 o  264.210   7.4664  190.392   10.650  200.834   15.439  180.912   14.710  271.115   10.538  257.306   10.580 13.80945 14.93283 
1 1 1  -10   27   16 o   69.715   16.202   11.860   7.6978   3.0793   10.644   21.488   11.146   54.087   22.364   85.342   23.448 -31.25470 32.40311 
1 1 1  -10   27   17 o  234.609   7.6186  150.342   9.6498  142.571   13.348  158.850   13.967  228.257   10.822  240.962   10.727 -12.70557 15.23728 
1 1 1  -10   27   19 o  324.138   9.8575  287.299   17.266   0.0000   0.0000  287.299   17.266  ?   ?   324.138   9.8575      ?      ? 
1 1 1  -10   27   20 o  227.206   7.9896  141.845   9.7922  131.255   13.740  152.775   13.959  218.473   11.639  235.940   10.949 -17.46770 15.97920 
1 1 1  -10   27   22 f  234.629   7.6247  151.161   9.6664  151.497   13.753  150.833   13.590  234.868   10.836  234.390   10.729 0.4783936 15.24931 
1 1 1  -10   27   23 o  147.777   14.247   60.744   11.377   0.0000   0.0000   60.744   11.377  ?   ?   147.777   14.247      ?      ? 
1 1 1  -10   27   24 o   76.491   16.056   16.948   7.5173   24.613   10.701   9.4802   10.563   90.465   22.083   62.518   23.314 27.94629 32.11244 
1 1 1  -10   27   25 o  211.231   8.0342  122.640   9.1511  130.191   13.488  116.200   12.456  217.183   11.493  205.280   11.230 11.90292 16.06844 
1 1 1  -10   27   26 o  108.705   13.930   34.754   7.9362   28.587   11.136   41.119   11.313   97.227   21.742  120.183   17.420 -22.95573 27.85940 
1 1 1  -10   27   27 o  201.423   8.3000  112.446   9.0125  111.914   13.186  112.913   12.347  200.795   12.152  202.051   11.308 -1.255722 16.60002 
1 1 1  -10   27   28 o  175.815   12.392   85.964   11.773   0.0000   0.0000   85.964   11.773  ?   ?   175.815   12.392      ?      ? 
1 1 1  -10   27   29 o  142.304   10.931   58.268   8.0278   38.615   11.142   79.479   11.576  115.854   17.798  168.754   12.694 -52.89937 21.86164 
1 1 1  -10   27   30 o  148.388   10.228   62.058   8.1799   64.401   12.092   60.080   11.107  150.794   14.840  145.982   14.080 4.811066 20.45646 
1 1 1  -10   27   31 o   61.736   16.226   9.5446   7.4164   13.717   10.388   5.2068   10.592   68.305   23.383   55.166   22.503 13.13911 32.45266 
1 1 1  -10   27   32 o  240.572   7.6432  160.577   9.9293  161.954   14.330  159.306   13.771  241.460   10.983  239.683   10.633 1.777100 15.28639 
1 1 1  -10   27   33 o  155.639   9.7390   68.704   8.1706   64.645   11.696   72.572   11.419  150.837   14.350  160.441   13.171 -9.603012 19.47804 
1 1 1  -10   27   34 o  125.269   11.739   45.532   7.8925   39.286   11.017   52.119   11.313  115.910   17.589  134.628   15.550 -18.71758 23.47728 
1 1 1  -10   27   35 o  108.341   14.031   36.907   7.8398   57.343   11.329   18.128   10.860  141.366   14.831   75.316   23.823 66.04974 28.06221 
1 1 1  -10   27   36 o  115.750   13.311   40.751   7.9850   32.770   11.302   48.705   11.283  102.161   21.169  129.339   16.144 -27.17799 26.62222 
1 1 1  -10   27   37 f  138.494   10.747   55.072   8.0188   60.972   11.823   50.046   10.912  145.414   15.047  131.575   15.348 13.83923 21.49319 
1 1 1  -10   27   38 o  151.263   10.313   66.076   8.3788   57.794   11.768   74.591   11.932  141.057   15.439  161.469   13.676 -20.41206 20.62521 
1 1 1  -10   27   39 o   81.662   17.683   16.423   8.8617   5.4850   10.578   42.162   16.227   53.805   22.275  109.519   27.468 -55.71333 35.36509 
1 1 1  -10   27   40 o  102.909   15.648   33.535   8.6539   44.887   13.027   24.567   11.578  120.574   19.994   85.244   24.075 35.32982 31.29506 
1 1 1  -10   27   41 o   62.117   16.664   11.070   8.3542   1.8894   12.708   18.057   11.087   51.893   22.959   72.341   24.160 -20.44876 33.32899 
1 1 1  -10   27   42 o   53.716   17.439   0.6575   10.119  -6.8356   22.326   2.5946   11.351   57.124   27.067   50.309   21.997 6.815231 34.87794 
1 1 1  -10   27   43 o   67.844   19.679   13.698   12.002   3.7590   19.724   19.543   15.125   61.553   27.812   74.136   27.848 -12.58267 39.35766 
1 1 1  -10   27   44 o   54.492   17.148  -4.2207   11.931 -36.9369   20.273   13.117   14.758   43.311   21.589   65.674   26.649 -22.36310 34.29617 
1 1 1  -10   27   45 o   50.765   16.133   3.2938   9.1179   3.4486   11.785   3.0631   14.390   49.542   22.005   51.988   23.597 -2.446480 32.26524 
1 1 1  -10   27   46 o   76.441   16.974   22.467   7.8008   23.125   11.369   21.881   10.723   77.120   24.373   75.762   23.630 1.357887 33.94751 
1 1 1  -10   27   47 o   91.767   15.680   31.083   7.8515   23.764   11.483   37.509   10.760   78.168   24.465  105.366   19.619 -27.19838 31.36024 
1 1 1  -10   27   48 o   57.524   16.224   12.216   7.6211   10.412   10.686   14.083   10.872   54.950   22.530   60.098   23.350 -5.148346 32.44751 
1 1 1  -10   28    1 o  112.865   12.012   36.073   6.6053   35.405   11.678   36.388   8.0096  110.645   20.280  115.085   12.880 -4.440590 24.02388 
1 1 1  -10   28    2 o   72.592   15.028   14.930   6.1593   16.748   9.8624   13.767   7.8864   76.029   22.454   69.154   19.981 6.875259 30.05678 
1 1 1  -10   28    3 o  168.882   9.3018   78.416   8.2934   57.870   11.347  101.983   12.152  144.810   14.500  192.953   11.655 -48.14351 18.60370 
1 1 1  -10   28    4 o  216.516   7.7614  128.231   9.0755  133.850   12.891  122.707   12.779  221.266   10.781  211.765   11.168 9.501007 15.52277 
1 1 1  -10   28    5 o   50.016   14.248  -3.2843   7.0776   11.233   10.198 -16.7735   9.8304   65.844   23.135   34.188   16.638 31.65575 28.49623 
1 1 1  -10   28    6 o   51.746   15.128   2.3238   7.0383   5.7994   9.4022  -2.1064   10.615   55.564   21.679   47.928   21.105 7.636406 30.25599 
1 1 1  -10   28    7 o   79.106   16.116   17.912   7.2959   14.397   9.7914   22.299   10.940   71.310   22.627   86.902   22.954 -15.59192 32.23207 
1 1 1  -10   28    8 o   86.574   15.569   21.286   7.5425   13.199   10.093   31.516   11.351   69.218   23.049  103.930   20.936 -34.71184 31.13812 
1 1 1  -10   28    9 o  178.549   8.9617   87.607   8.6350   86.860   11.888   88.442   12.563  177.816   12.373  179.282   12.968 -1.466599 17.92331 
1 1 1  -10   28   10 o  252.131   7.6667  173.940   10.433  185.782   14.936  162.658   14.579  260.577   10.608  243.685   11.072 16.89206 15.33340 
1 1 1  -10   28   12 o  211.222   8.2786  122.472   9.4364  114.001   13.170  131.411   13.528  203.642   11.968  218.802   11.442 -15.15996 16.55725 
1 1 1  -10   28   13 o  105.369   14.861   32.292   8.2837   41.017   11.976   24.288   11.470  120.656   18.368   90.081   23.366 30.57505 29.72116 
1 1 1  -10   28   14 f  138.584   11.272   53.620   8.4398   54.796   11.987   52.463   11.885  140.121   15.831  137.047   16.049 3.074524 22.54314 
1 1 1  -10   28   15 o   81.825   16.452   19.920   7.7215   23.995   10.927   15.856   10.912   89.533   22.588   74.117   23.927 15.41644 32.90439 
1 1 1  -10   28   16 o  139.740   15.750   54.564   11.893   0.0000   0.0000   54.564   11.893  ?   ?   139.740   15.750      ?      ? 
1 1 1  -10   28   17 o  100.231   14.768   29.255   7.8942   36.253   11.466   22.948   10.885  113.060   18.768   87.401   22.806 25.65894 29.53543 
1 1 1  -10   28   18 o  115.886   13.076   39.230   7.8094   46.998   10.861   30.917   11.236  129.649   15.504  102.123   21.061 27.52627 26.15230 
1 1 1  -10   28   19 o  311.470   10.008  266.052   16.845   0.0000   0.0000  266.052   16.845  ?   ?   311.470   10.008      ?      ? 
1 1 1  -10   28   20 o  101.901   14.285   30.606   7.6900   43.180   11.177   19.303   10.597  123.728   16.717   80.075   23.169 43.65324 28.57044 
1 1 1  -10   28   21 o   44.037   13.974  -5.2747   7.2755   1.6878   9.8422 -13.6629   10.803   49.860   21.118   38.215   18.306 11.64447 27.94780 
1 1 1  -10   28   22 o  212.272   8.1916  124.656   9.3611  111.010   13.061  139.070   13.424  200.109   12.079  224.434   11.069 -24.32433 16.38321 
1 1 1  -10   28   23 o  149.001   14.649   62.367   11.794   0.0000   0.0000   62.367   11.794  ?   ?   149.001   14.649      ?      ? 
1 1 1  -10   28   24 o  135.797   11.479   53.391   8.1517   67.271   11.435   39.047   11.624  155.081   13.645  116.514   18.463 38.56693 22.95787 
1 1 1  -10   28   25 f  113.498   12.888   37.425   7.6068   46.322   11.131   29.629   10.419  127.666   16.135   99.330   20.102 28.33602 25.77684 
1 1 1  -10   28   26 o   79.344   16.903   19.551   7.8606   21.049   11.101   18.044   11.133   82.143   23.698   76.545   24.110 5.598099 33.80648 
1 1 1  -10   28   27 o  126.474   11.644   45.747   7.9511   44.003   10.970   47.678   11.540  123.979   16.375  128.970   16.559 -4.990852 23.28849 
1 1 1  -10   28   28 o  124.080   11.964   44.273   8.0089   44.487   11.665   44.083   11.016  124.152   17.387  124.007   16.439 0.1443253 23.92828 
1 1 1  -10   28   29 o  139.573   10.869   55.557   8.1855   56.029   11.918   55.135   11.262  139.945   15.760  139.202   14.972 0.7427368 21.73790 
1 1 1  -10   28   30 o   61.503   16.318   9.0554   7.6088   15.113   11.040   3.5755   10.501   70.517   24.107   52.489   21.999 18.02781 32.63548 
1 1 1  -10   28   31 o  168.730   9.3552   80.516   8.5278   82.381   12.060   78.651   12.060  170.776   13.069  166.684   13.390 4.091873 18.71046 
1 1 1  -10   28   32 o   65.222   16.568   12.435   7.4522   13.799   10.584   11.094   10.495   67.524   23.577   62.919   23.283 4.605629 33.13549 
1 1 1  -10   28   33 o   68.452   15.337   12.546   7.4566   0.4716   10.415   25.244   10.680   48.157   21.063   88.747   22.299 -40.58980 30.67379 
1 1 1  -10   28   34 o   71.654   16.743   16.182   7.6891   12.137   11.008   20.035   10.745   64.699   23.865   78.608   23.489 -13.90871 33.48512 
1 1 1  -10   28   35 o  133.466   11.529   51.924   8.2631   59.745   11.967   44.798   11.423  143.579   15.425  123.352   17.138 20.22649 23.05714 
1 1 1  -10   28   36 o   60.605   16.508   10.050   7.6388   9.4669   10.785   10.636   10.821   59.710   23.240   61.500   23.450 -1.789436 33.01517 
1 1 1  -10   28   37 o  146.627   10.922   62.996   8.6275   68.779   12.277   57.354   12.127  153.761   14.775  139.492   16.089 14.26958 21.84385 
1 1 1  -10   28   38 o   78.860   18.269   16.325   9.1490   6.2633   11.002   38.874   16.471   54.947   22.730  102.772   28.607 -47.82462 36.53811 
1 1 1  -10   28   39 o   60.420   16.627   10.832   8.0245   5.9955   12.373   14.343   10.543   55.298   23.558   65.541   23.470 -10.24363 33.25427 
1 1 1  -10   28   40 o  105.469   26.622   40.360   15.174   0.0000   0.0000   40.360   15.174  ?   ?   105.469   26.622      ?      ? 
1 1 1  -10   28   41 o   66.450   20.167   10.609   12.186   15.865   21.830   8.2297   14.687   72.178   31.035   60.722   25.762 11.45597 40.33389 
1 1 1  -10   28   42 o  113.790   20.478   51.764   12.624   44.234   21.315   55.833   15.668   99.817   33.499  127.763   23.563 -27.94557 40.95572 
1 1 1  -10   28   43 o   37.348   12.742 -10.5859   7.7702 -15.0357   11.119  -6.3384   10.863   35.023   17.182   39.673   18.822 -4.650059 25.48479 
1 1 1  -10   28   44 o   44.740   14.308  -1.7254   7.7553  -9.8221   11.295   5.4953   10.667   38.683   18.580   50.796   21.763 -12.11295 28.61572 
1 1 1  -10   28   45 o   46.224   14.300  -5.4552   8.0623   13.256   11.353 -24.4938   11.451   60.703   23.784   31.745   15.885 28.95772 28.60074 
1 1 1  -10   28   46 o   48.048   15.123   4.0995   7.9093   4.7395   11.426   3.5106   10.960   48.892   21.694   47.204   21.077 1.687466 30.24656 
1 1 1  -10   29    1 o  135.329   11.712   52.519   8.3240   40.248   12.083   63.602   11.484  119.240   18.753  151.419   14.035 -32.17904 23.42313 
1 1 1  -10   29    2 o  255.547   7.6052  180.062   10.041  176.216   16.768  182.212   12.537  252.812   12.274  258.282   8.9828 -5.469421 15.21030 
1 1 1  -10   29    3 o  222.904   8.5268  135.841   10.225  148.423   15.368  125.846   13.697  232.023   12.257  213.786   11.857 18.23705 17.05363 
1 1 1  -10   29    4 o   93.716   14.504   27.636   7.3667   36.865   9.6581   14.798   11.391  114.929   15.552   72.503   24.488 42.42603 29.00893 
1 1 1  -10   29    5 o  171.892   12.931   81.661   12.011   81.661   12.011   0.0000   0.0000  171.892   12.931  ?   ?       ?      ? 
1 1 1  -10   29    6 o  144.062   10.411   57.648   8.0820   51.978   11.197   63.815   11.677  136.549   15.175  151.574   14.257 -15.02518 20.82173 
1 1 1  -10   29    7 o   91.236   16.187   25.002   7.9693   24.093   11.218   25.928   11.323   89.523   23.052   92.948   22.732 -3.425880 32.37491 
1 1 1  -10   29    9 o  138.370   11.110   53.791   8.2221   62.846   11.695   44.939   11.562  150.317   14.398  126.422   16.925 23.89489 22.22041 
1 1 1  -10   29   10 o   72.530   16.444   14.777   7.7186   21.443   10.725   7.6134   11.117   84.474   22.915   60.585   23.592 23.88860 32.88835 
1 1 1  -10   29   11 o  115.551   12.848   37.808   8.0213   37.291   11.229   38.347   11.463  114.763   18.107  116.339   18.233 -1.575996 25.69660 
1 1 1  -10   29   12 o  110.989   13.522   35.914   7.7896   37.842   10.335   33.378   11.853  116.018   16.485  105.959   21.438 10.05810 27.04311 
1 1 1  -10   29   13 o   61.139   16.617   8.2482   7.7222   7.4256   10.685   9.1477   11.173   59.499   23.139   62.779   23.855 -3.280048 33.23356 
1 1 1  -10   29   14 o   45.658   14.253  -5.6488   7.3466 -14.5368   10.049   4.5555   10.767   35.804   17.280   55.512   22.672 -19.70822 28.50620 
1 1 1  -10   29   15 o  221.439   11.338  135.318   13.567   0.0000   0.0000  135.318   13.567  ?   ?   221.439   11.338      ?      ? 
1 1 1  -10   29   16 o   51.765   15.465   1.3936   7.6090   5.8784   10.709  -3.1787   10.813   56.991   22.849   46.539   20.846 10.45173 30.92962 
1 1 1  -10   29   17 o   94.450   15.606   26.980   7.8462   22.809   10.777   31.685   11.445   86.334   22.773  102.566   21.345 -16.23197 31.21264 
1 1 1  -10   29   18 o   74.644   16.178   16.212   7.6108   24.142   10.792   8.3658   10.735   88.820   22.469   60.468   23.283 28.35210 32.35672 
1 1 1  -10   29   19 o   95.873   15.289   27.877   7.7404   25.144   10.784   30.781   11.116   90.694   22.188  101.051   21.041 -10.35735 30.57841 
1 1 1  -10   29   20 f  113.290   13.413   37.239   8.0043   32.921   10.824   42.449   11.890  105.060   19.793  121.520   18.107 -16.45972 26.82590 
1 1 1  -10   29   21 o  173.510   13.087   84.216   12.270   0.0000   0.0000   84.216   12.270  ?   ?   173.510   13.087      ?      ? 
1 1 1  -10   29   22 o  154.982   10.031   67.972   8.3665   72.068   11.591   63.517   12.089  160.228   13.387  149.735   14.941 10.49345 20.06116 
1 1 1  -10   29   23 o   61.143   16.653   8.8380   7.8304   6.3516   11.093   11.307   11.054   57.522   23.187   64.764   23.910 -7.242115 33.30625 
1 1 1  -10   29   24 o  101.353   14.614   31.541   7.9416   46.449   11.424   17.597   11.048  127.216   16.618   75.491   24.044 51.72498 29.22815 
1 1 1  -10   29   25 o   43.927   14.099  -3.9625   7.2412  -3.6298   9.7921  -4.3640   10.757   43.164   19.541   44.690   20.330 -1.525833 28.19846 
1 1 1  -10   29   26 o   86.263   16.149   23.539   7.6639   25.318   10.731   21.687   10.949   89.839   22.227   82.687   23.433 7.151947 32.29775 
1 1 1  -10   29   27 o   36.358   12.426 -14.4738   7.4040 -16.0028   10.302 -12.8400   10.649   34.985   17.027   37.731   18.101 -2.746410 24.85106 
1 1 1  -10   29   28 o  141.904   10.521   57.690   8.0626   55.232   11.349   60.196   11.456  138.708   15.141  145.101   14.611 -6.392776 21.04172 
1 1 1  -10   29   29 o  123.649   11.835   44.490   7.8843   49.405   11.458   40.071   10.866  130.372   16.264  116.926   17.198 13.44535 23.67016 
1 1 1  -10   29   30 o   54.808   15.912   5.6157   7.5497   5.4280   10.597   5.8092   10.759   54.435   22.391   55.181   22.614 -0.7459488 31.82385 
1 1 1  -10   29   31 o   51.967   15.519   3.1897   7.5689   6.1784   10.578   0.0542   10.835   55.426   22.535   48.509   21.343 6.916962 31.03770 
1 1 1  -10   29   32 f  118.343   12.480   41.519   7.9570   42.719   10.966   40.186   11.563  120.621   16.825  116.065   18.437 4.556465 24.95997 
1 1 1  -10   29   33 o   63.339   16.783   11.683   7.7711   13.146   11.136   10.294   10.849   65.658   24.036   61.020   23.429 4.638027 33.56562 
1 1 1  -10   29   34 o   55.036   15.890   6.3524   7.4894   8.0613   10.787   4.7619   10.406   57.498   22.975   52.575   21.956 4.922672 31.77913 
1 1 1  -10   29   35 o   50.839   14.693   0.9480   7.3063 -10.5994   10.290   12.690   10.376   37.650   17.990   64.027   23.237 -26.37752 29.38691 
1 1 1  -10   29   36 o   84.199   16.521   24.491   7.8813   19.945   10.961   29.356   11.340   75.573   23.937   92.826   22.779 -17.25288 33.04285 
1 1 1  -10   29   37 o  113.492   22.785   51.796   14.165   59.167   24.100   47.905   17.508  114.702   35.368  112.282   28.736 2.419853 45.57060 
1 1 1  -10   29   38 o   82.476   28.994   25.878   16.020   0.0000   0.0000   25.878   16.020  ?   ?    82.476   28.994      ?      ? 
1 1 1  -10   29   39 o   90.319   28.353   30.856   15.410   0.0000   0.0000   30.856   15.410  ?   ?    90.319   28.353      ?      ? 
1 1 1  -10   29   40 o  152.906   12.953   75.598   10.272   79.897   13.205   69.009   16.348  162.306   15.056  143.505   21.082 18.80040 25.90602 
1 1 1  -10   29   41 o   50.617   15.459   5.3372   7.8446   10.265   11.376   0.8697   10.832   55.982   23.132   45.253   20.514 10.72869 30.91753 
1 1 1  -10   29   42 o   73.034   17.101   20.164   7.8575   21.737   11.423   18.752   10.825   75.380   24.494   70.689   23.872 4.691139 34.20267 
1 1 1  -10   29   43 o   54.017   15.837   8.6915   7.7040   12.277   10.829   5.0181   10.962   58.505   23.133   49.530   21.637 8.975040 31.67478 
1 1 1  -10   30    1 o  242.663   8.1786  159.974   10.616  182.432   16.512  144.151   13.860  256.777   11.900  228.549   11.222 28.22765 16.35715 
1 1 1  -10   30    2 o  187.684   9.5115   96.575   9.5336  119.978   14.414   78.377   12.711  207.835   12.835  167.533   14.041 40.30141 19.02291 
1 1 1  -10   30    3 o  105.780   11.540   30.946   6.4923   35.360   10.350   28.082   8.3364  111.627   17.158   99.934   15.438 11.69285 23.08089 
1 1 1  -10   30    4 o  202.527   8.5485  113.289   9.3345  109.040   12.700  118.281   13.766  198.510   11.840  206.543   12.334 -8.032837 17.09702 
1 1 1  -10   30    6 o  209.681   11.978  121.794   13.572   0.0000   0.0000  121.794   13.572  ?   ?   209.681   11.978      ?      ? 
1 1 1  -10   30    7 o  121.575   12.841   41.827   7.9563   29.024   10.514   58.979   12.170   98.504   20.424  144.645   15.571 -46.14099 25.68214 
1 1 1  -10   30    8 o   97.716   14.423   27.984   7.5793   17.194   10.256   40.971   11.251   75.521   23.035  119.910   17.363 -44.38931 28.84603 
1 1 1  -10   30    9 o  131.116   16.090   48.655   11.400   0.0000   0.0000   48.655   11.400  ?   ?   131.116   16.090      ?      ? 
1 1 1  -10   30   10 f   41.048   19.096  -7.7406   10.266   0.0000   0.0000  -7.7406   10.266  ?   ?    41.048   19.096      ?      ? 
1 1 1  -10   30   11 o   67.801   15.936   11.001   7.6276   1.1194   10.396   22.524   11.226   50.109   21.477   85.492   23.550 -35.38275 31.87248 
1 1 1  -10   30   12 o   45.697   14.497  -3.2335   7.4022  -4.3126   10.058  -1.9584   10.933   43.535   19.748   47.859   21.229 -4.324196 28.99395 
1 1 1  -10   30   13 o  159.899   10.128   72.606   8.6362   82.926   11.975   61.419   12.467  172.469   12.849  147.329   15.660 25.14011 20.25655 
1 1 1  -10   30   14 o  183.200   9.1858   93.728   9.0786   93.892   12.499   93.544   13.209  183.545   12.602  182.855   13.368 0.6906281 18.37152 
1 1 1  -10   30   15 o  170.246   9.5494   81.292   8.7809   83.868   12.401   78.701   12.435  173.063   13.260  167.429   13.745 5.634094 19.09877 
1 1 1  -10   30   16 o   86.093   16.120   23.096   7.6389   25.016   10.652   21.064   10.961   89.993   22.072   82.194   23.499 7.798958 32.23965 
1 1 1  -10   30   17 o   79.770   15.459   18.457   7.6836   6.5131   10.525   32.085   11.243   56.909   22.709  102.631   20.980 -45.72211 30.91717 
1 1 1  -10   30   18 o  137.603   15.590   53.929   11.592   0.0000   0.0000   53.929   11.592  ?   ?   137.603   15.590      ?      ? 
1 1 1  -10   30   19 o   81.611   15.199   19.963   7.7797   34.230   11.040   5.8895   10.965  106.571   19.902   56.650   22.976 49.92075 30.39757 
1 1 1  -10   30   20 o   67.217   16.405   12.498   7.8038   19.589   10.656   4.2968   11.460   79.119   23.333   55.316   23.066 23.80326 32.80914 
1 1 1  -10   30   21 f   65.753   15.042   8.4760   7.6734  -6.8771   10.634   25.151   11.083   42.162   19.554   89.345   22.862 -47.18270 30.08340 
1 1 1  -10   30   22 o  137.245   11.170   54.084   8.2787   56.727   11.841   51.555   11.579  140.635   15.582  133.855   16.008 6.779739 22.33958 
1 1 1  -10   30   23 o   72.782   16.859   16.560   7.6499   17.253   10.456   15.762   11.221   74.079   23.370   71.486   24.304 2.592529 33.71719 
1 1 1  -10   30   24 o   72.267   16.696   16.413   7.5083   17.308   10.128   15.320   11.187   74.026   22.945   70.509   24.261 3.516983 33.39268 
1 1 1  -10   30   25 o  154.693   14.664   68.628   12.258   0.0000   0.0000   68.628   12.258  ?   ?   154.693   14.664      ?      ? 
1 1 1  -10   30   26 o  148.778   10.902   63.984   8.7620   66.042   12.575   62.043   12.216  151.113   15.400  146.443   15.437 4.669724 21.80482 
1 1 1  -10   30   27 o   98.383   15.593   31.004   8.0924   33.989   11.159   27.693   11.753  104.522   20.490   92.245   23.509 12.27709 31.18539 
1 1 1  -10   30   28 o   71.735   16.955   16.351   7.7267   16.956   10.693   15.689   11.177   72.836   23.700   70.634   24.253 2.202354 33.91006 
1 1 1  -10   30   29 o  120.228   13.140   43.949   8.2666   48.985   11.570   38.697   11.815  129.091   16.587  111.364   20.385 17.72720 26.28043 
1 1 1  -10   30   30 o   73.200   17.137   17.659   7.8809   17.028   10.784   18.382   11.545   72.063   23.818   74.337   24.647 -2.273979 34.27475 
1 1 1  -10   30   31 o  195.390   9.1506  109.596   9.5935   95.296   13.549  123.974   13.586  181.824   13.790  208.956   12.032 -27.13153 18.30129 
1 1 1  -10   30   32 o   61.433   16.034   10.261   7.7002   17.771   10.451   1.3427   11.389   72.945   23.401   49.921   21.925 23.02377 32.06752 
1 1 1  -10   30   33 o   99.064   15.515   32.901   8.0933   35.290   11.361   30.439   11.533  103.664   21.000   94.464   22.844 9.199821 31.02996 
1 1 1  -10   30   34 o   62.843   15.306   8.2919   7.9729  -8.1873   11.175   25.378   11.379   40.662   19.232   85.025   23.816 -44.36327 30.61198 
1 1 1  -10   30   35 o   55.937   18.287  -5.4483   13.790 -25.5180   22.172   7.2140   17.611   49.662   24.343   62.212   27.295 -12.55004 36.57326 
1 1 1  -10   30   36 o   85.927   33.050   30.653   21.612   30.653   21.612   0.0000   0.0000   85.927   33.050  ?   ?       ?      ? 
1 1 1  -10   30   37 o   33.567   17.042 -49.2342   16.168   0.0000   0.0000 -49.2342   16.168  ?   ?    33.567   17.042      ?      ? 
1 1 1  -10   30   38 f   54.253   16.102   3.7156   8.8871   20.162   13.225  -9.8281   12.001   69.151   26.028   39.355   18.966 29.79528 32.20476 
1 1 1  -10   30   39 o   57.766   16.337   9.9393   7.9043   4.6550   10.730   16.210   11.688   49.865   21.598   65.667   24.517 -15.80285 32.67396 
1 1 1  -10   30   40 o   95.753   15.649   33.147   8.4062   21.666   11.721   45.307   12.062   74.254   24.842  117.251   19.038 -42.99613 31.29801 
1 1 1  -10   30   41 o   51.675   15.586   6.9448   7.7630   2.6815   10.587   11.903   11.417   46.107   20.642   57.243   23.358 -11.13565 31.17207 
1 1 1  -10   31    1 o   85.067   17.517   21.470   7.7841   0.0000   0.0000   21.470   7.7841  ?   ?    85.067   17.517      ?      ? 
1 1 1  -10   31    2 o  146.539   11.093   61.100   8.7764   58.829   12.472   63.328   12.352  143.661   16.066  149.417   15.299 -5.756210 22.18512 
1 1 1  -10   31    3 o   42.863   13.850  -6.1877   7.2270  -0.7234   10.714 -10.7498   9.7896   48.392   21.259   37.335   17.758 11.05663 27.69977 
1 1 1  -10   31    4 o  116.569   10.924   38.008   6.5666   40.608   11.218   36.652   8.0993  118.758   17.481  114.380   13.104 4.378548 21.84708 
1 1 1  -10   31    5 o   46.912   14.545  -0.7027   7.0099  -1.7090   9.3417   0.5941   10.605   44.242   19.624   49.581   21.474 -5.339436 29.09015 
1 1 1  -10   31    6 o   63.453   16.413   10.261   7.3816   6.8399   9.8246   14.696   11.186   56.363   22.113   70.544   24.260 -14.18027 32.82608 
1 1 1  -10   31    7 o   64.086   15.517   9.3604   7.2693  -0.2088   9.9266   20.426   10.675   47.208   20.607   80.965   23.204 -33.75661 31.03378 
1 1 1  -10   31    8 o   68.333   16.293   12.019   7.3034   6.0947   9.3571   21.255   11.683   54.458   21.512   82.208   24.477 -27.75001 32.58675 
1 1 1  -10   31    9 o   40.640   13.308  -6.1770   6.8043  -5.2256   8.7542  -7.6289   10.815   39.132   18.002   42.148   19.605 -3.016182 26.61688 
1 1 1  -10   31   10 o   40.384   13.232  -9.0516   7.1406  -0.9839   10.111 -17.0797   10.086   46.716   20.583   34.053   16.634 12.66269 26.46426 
1 1 1  -10   31   11 o   71.284   15.924   14.618   7.6017   23.710   10.552   4.8084   10.961   87.331   22.286   55.237   22.753 32.09411 31.84886 
1 1 1  -10   31   12 o  136.411   12.938   57.715   8.3833   83.272   11.759   31.298   11.955  172.470   12.617  100.353   22.591 72.11713 25.87541 
1 1 1  -10   31   13 o   83.881   15.556   22.031   7.7715   32.938   10.827   10.441   11.162  104.392   19.921   63.369   23.899 41.02272 31.11243 
1 1 1  -10   31   14 o   56.280   16.106   5.8363   7.6603   3.4438   11.003   8.0864   10.671   53.416   22.460   59.145   23.090 -5.729824 32.21189 
1 1 1  -10   31   15 o   70.065   16.075   13.050   7.4837   4.8120   9.8971   24.048   11.436   53.180   21.730   86.951   23.694 -33.77103 32.14912 
1 1 1  -10   31   16 o   64.883   16.383   9.9159   7.7315   2.2126   10.239   20.134   11.793   50.326   21.435   79.441   24.781 -29.11465 32.76559 
1 1 1  -10   31   17 o   68.553   16.930   13.939   7.7368   11.820   10.632   16.324   11.280   64.568   23.508   72.539   24.369 -7.971222 33.85950 
1 1 1  -10   31   18 o   45.059   14.444  -4.6243   7.6892  -9.2396   10.556   0.5934   11.224   39.942   18.830   50.175   21.907 -10.23378 28.88775 
1 1 1  -10   31   19 o   94.872   15.950   29.284   8.1861   35.707   11.141   21.746   12.068  108.046   19.812   81.698   25.001 26.34745 31.89931 
1 1 1  -10   31   20 o  113.083   14.249   39.724   8.2733   53.506   11.806   26.427   11.597  135.804   16.088   90.362   23.522 45.44178 28.49751 
1 1 1  -10   31   21 o   65.134   16.416   11.225   7.7128   19.642   11.385   4.0870   10.485   77.703   24.367   52.565   22.003 25.13822 32.83161 
1 1 1  -10   31   22 o  104.714   14.695   33.965   8.1298   43.876   11.799   25.008   11.217  121.708   17.941   87.721   23.278 33.98696 29.39007 
1 1 1  -10   31   23 o   61.647   15.783   8.1130   7.5604  -1.6195   10.278   19.587   11.160   45.667   20.399   77.626   24.090 -31.95955 31.56634 
1 1 1  -10   31   24 o  150.519   10.709   65.796   8.6288   75.093   12.161   56.370   12.245  162.064   13.887  138.974   16.306 23.09074 21.41793 
1 1 1  -10   31   25 o   67.337   17.014   13.757   7.9784   17.736   11.288   9.7859   11.278   73.738   24.367   60.936   23.753 12.80132 34.02872 
1 1 1  -10   31   26 o   45.228   14.298  -2.9432   7.5489   3.7362   10.003 -11.7805   11.506   50.719   21.375   39.738   18.997 10.98092 28.59683 
1 1 1  -10   31   27 o  142.830   11.485   60.418   8.7947   68.605   12.462   52.294   12.413  153.372   15.036  132.288   17.365 21.08374 22.97062 
1 1 1  -10   31   28 o   75.019   16.094   18.329   7.9176   28.213   10.922   7.3825   11.494   92.802   22.098   57.235   23.405 35.56715 32.18866 
1 1 1  -10   31   29 o  117.039   14.092   43.689   8.5968   37.451   12.351   49.552   11.973  106.287   22.220  127.791   17.339 -21.50430 28.18439 
1 1 1  -10   31   30 o   44.544   14.358  -3.6032   7.8531   2.4768   10.967 -10.0007   11.250   49.542   21.643   39.546   18.872 9.995293 28.71522 
1 1 1  -10   31   31 o   39.929   13.394  -9.1332   7.8233  -6.0775   10.768 -12.5489   11.385   41.493   19.388   38.364   18.485 3.128017 26.78760 
1 1 1  -10   31   32 o   54.496   18.286  -8.6788   14.097 -12.8198   23.618  -6.3874   17.569   56.398   27.030   52.593   24.636 3.804676 36.57254 
1 1 1  -10   31   33 o   66.043   19.788   3.3457   13.260   29.099   20.518 -15.1239   17.376   84.497   32.273   47.588   22.905 36.90947 39.57501 
1 1 1  -10   31   34 o   59.262   18.870  -0.2991   13.122   19.966   20.072 -15.4257   17.341   72.214   30.348   46.310   22.435 25.90485 37.73991 
1 1 1  -10   31   35 o   48.947   21.742   3.7595   11.507   3.7595   11.507   0.0000   0.0000   48.947   21.742  ?   ?       ?      ? 
1 1 1  -10   31   36 f   42.524   14.220  -7.4040   8.5696   0.0732   12.951 -13.2282   11.430   48.174   22.064   36.875   17.945 11.29937 28.43963 
1 1 1  -10   31   37 o   55.986   16.805   8.5171   8.7926   9.0248   13.345   8.1277   11.689   57.082   24.396   54.891   23.118 2.191208 33.60945 
1 1 1  -10   31   38 o   77.028   17.555   24.690   8.3849   27.266   11.693   21.964   12.030   81.914   24.510   72.143   25.139 9.771141 35.10988 
1 1 1  -10   32    1 o  156.134   10.381   67.656   8.7583   0.0000   0.0000   67.656   8.7583  ?   ?   156.134   10.381      ?      ? 
1 1 1  -10   32    2 o   41.358   18.108  -0.5368   7.7163   0.0000   0.0000  -0.5368   7.7163  ?   ?    41.358   18.108      ?      ? 
1 1 1  -10   32    3 o   61.561   15.885   9.5622   7.0998   4.5541   9.6953   15.353   10.426   52.376   21.466   70.746   23.420 -18.37029 31.76937 
1 1 1  -10   32    4 o  101.581   13.687   31.019   7.3421   27.275   10.342   34.825   10.425   93.879   20.921  109.282   17.655 -15.40307 27.37471 
1 1 1  -10   32    5 o  135.576   9.9406   53.409   7.0102   46.599   11.077   57.958   9.0541  127.165   16.120  143.987   11.637 -16.82257 19.88116 
1 1 1  -10   32    6 o   75.484   15.747   16.826   7.4367   7.7504   10.153   27.331   10.923   57.652   22.519   93.316   22.018 -35.66407 31.49429 
1 1 1  -10   32    7 o   90.788   15.635   25.948   7.7150   19.675   10.755   32.599   11.074   78.669   23.498  102.907   20.632 -24.23869 31.27076 
1 1 1  -10   32    8 o   59.929   15.611   7.4529   7.6551   17.277   10.370  -4.3126   11.348   74.134   23.256   45.724   20.831 28.41003 31.22159 
1 1 1  -10   32    9 o   64.197   16.326   11.682   7.1926   10.106   9.6355   13.665   10.809   60.729   22.338   67.664   23.814 -6.934494 32.65160 
1 1 1  -10   32   10 o  114.457   13.006   38.916   7.8439   34.805   10.841   43.431   11.363  106.934   19.480  121.981   17.239 -15.04691 26.01225 
1 1 1  -10   32   11 o   55.679   15.802   6.4951   7.2140   7.1301   9.4996   5.6300   11.088   55.589   21.763   55.768   22.918 -0.1788902 31.60454 
1 1 1  -10   32   12 o   55.602   15.483   3.8046   7.6751   14.476   10.876  -6.7807   10.832   68.837   23.908   42.367   19.679 26.47005 30.96509 
1 1 1  -10   32   13 o   66.253   16.618   12.439   7.5703   8.1047   10.155   17.862   11.358   57.791   22.535   74.715   24.431 -16.92323 33.23700 
1 1 1  -10   32   14 o   44.177   14.179  -3.4427   7.3489  -2.4111   10.051  -4.6274   10.772   44.426   19.984   43.927   20.120 0.4987984 28.35782 
1 1 1  -10   32   15 o   58.766   16.461   8.1099   7.8125   10.032   10.902   6.0812   11.201   61.350   23.503   56.182   23.055 5.168121 32.92262 
1 1 1  -10   32   16 o   88.856   16.197   25.742   7.9372   30.477   11.033   20.663   11.427   98.260   21.387   79.452   24.329 18.80743 32.39345 
1 1 1  -10   32   17 o   45.870   14.637  -3.6516   7.7591  -7.9576   10.555   1.4122   11.446   40.671   19.065   51.069   22.214 -10.39824 29.27319 
1 1 1  -10   32   18 o  115.714   13.697   40.561   8.3472   40.146   11.306   41.060   12.376  116.420   17.972  115.009   20.675 1.411552 27.39371 
1 1 1  -10   32   19 o  140.999   11.457   58.056   8.7232   56.117   12.380   59.968   12.294  138.431   16.550  143.566   15.847 -5.134552 22.91327 
1 1 1  -10   32   20 o   84.618   16.730   23.573   7.9643   20.996   10.975   26.440   11.575   79.748   23.719   89.489   23.599 -9.741081 33.45922 
1 1 1  -10   32   21 o   50.100   15.529   0.9280   8.0794  -1.4118   11.315   3.3616   11.540   47.442   21.283   52.758   22.621 -5.316200 31.05890 
1 1 1  -10   32   22 o   94.647   15.867   29.478   8.6467   16.507   12.181   42.650   12.276   71.087   25.253  118.207   19.218 -47.12040 31.73369 
1 1 1  -10   32   23 o  103.557   15.098   34.127   8.3381   24.089   11.457   45.428   12.158   84.545   23.975  122.568   18.356 -38.02254 30.19516 
1 1 1  -10   32   24 o   75.254   17.252   19.086   8.1771   14.646   11.545   23.556   11.583   67.529   24.511   82.979   24.285 -15.44941 34.50417 
1 1 1  -10   32   25 o   64.228   17.280   12.717   8.3409   16.340   12.252   9.5881   11.387   69.341   25.237   59.115   23.611 10.22530 34.55979 
1 1 1  -10   32   26 o   54.922   16.184   6.5718   8.0367   3.8146   11.377   9.3184   11.355   51.584   22.292   58.260   23.468 -6.676018 32.36742 
1 1 1  -10   32   27 o   74.070   16.835   17.737   8.4092   29.925   12.362   7.2386   11.473   92.212   24.422   55.928   23.180 36.28358 33.67051 
1 1 1  -10   32   28 o   99.540   16.533   33.654   8.7428   36.273   12.641   31.252   12.105  103.574   23.166   95.506   23.593 8.067841 33.06538 
1 1 1  -10   32   29 o  111.368   23.028   46.585   14.539   70.631   24.472   33.468   18.075  131.014   34.201   91.723   30.847 39.29021 46.05682 
1 1 1  -10   32   30 f   61.044   19.304   5.6849   12.699   7.4482   20.788   4.6351   16.040   64.118   28.799   57.970   25.714 6.148869 38.60807 
1 1 1  -10   32   31 o   55.383   17.821   1.4823   12.665 -18.4054   20.802   13.196   15.965   48.088   23.573   62.678   26.733 -14.58940 35.64192 
1 1 1  -10   32   32 o  108.919   18.055   46.350   10.011   45.023   11.984   49.414   18.210  115.447   19.211  102.392   30.575 13.05502 36.10952 
1 1 1  -10   32   33 o   53.961   15.898   7.0369   8.0727   12.784   10.928   0.1334   11.977   60.745   23.463   47.178   21.458 13.56631 31.79536 
1 1 1  -10   32   34 o   49.142   15.802  -5.0682   8.8938 -14.9709   10.920   14.446   15.329   34.987   17.136   63.297   26.556 -28.31011 31.60491 
1 1 1  -10   32   35 o   51.330   16.126   4.6668   8.9782   11.577   13.575  -0.7057   11.970   57.616   24.614   45.044   20.839 12.57148 32.25115 
1 1 1  -10   33    1 o  116.615   12.696   38.514   8.0005   0.0000   0.0000   38.514   8.0005  ?   ?   116.615   12.696      ?      ? 
1 1 1  -10   33    2 o  110.770   13.408   34.935   8.0256   0.0000   0.0000   34.935   8.0256  ?   ?   110.770   13.408      ?      ? 
1 1 1  -10   33    3 o   58.679   20.721   9.9139   8.1903   0.0000   0.0000   9.9139   8.1903  ?   ?    58.679   20.721      ?      ? 
1 1 1  -10   33    4 o   62.617   16.042   9.1596   7.9244  -1.8743   11.365   19.599   11.055   47.593   21.341   77.641   23.956 -30.04818 32.08344 
1 1 1  -10   33    5 o   87.897   15.902   24.073   7.6348   32.297   11.761   18.083   10.037  100.693   22.211   75.100   22.762 25.59275 31.80311 
1 1 1  -10   33    6 o   31.793   10.995 -14.8181   6.2458 -17.2545   9.5693 -13.0099   8.2439   32.306   15.867   31.280   15.226 1.025839 21.99095 
1 1 1  -10   33    7 o   62.304   16.320   10.960   7.2405   11.252   9.4463   10.544   11.274   62.131   22.220   62.476   23.908 -0.3449593 32.63913 
1 1 1  -10   33    8 f   76.126   15.584   17.065   7.7188   5.0179   10.604   30.640   11.257   53.924   22.312   98.328   21.762 -44.40411 31.16705 
1 1 1  -10   33    9 o   80.132   15.426   20.726   7.4877   30.324   10.325   10.079   10.875   98.885   20.010   61.378   23.483 37.50755 30.85182 
1 1 1  -10   33   10 o   75.255   16.788   18.054   7.8335   12.923   10.968   23.398   11.192   65.875   23.893   84.635   23.590 -18.75925 33.57610 
1 1 1  -10   33   11 f   51.547   14.735   1.8455   7.3129   12.015   9.8757 -10.5004   10.881   63.600   22.722   39.493   18.766 24.10775 29.46938 
1 1 1  -10   33   12 o   44.860   14.474  -4.1147   7.7407  -6.2283   10.395  -1.4842   11.597   41.523   19.284   48.198   21.589 -6.674488 28.94728 
1 1 1  -10   33   13 o   35.424   12.265 -18.2538   7.9019 -15.6831   10.714 -21.3197   11.701   35.745   17.390   35.103   17.300 0.6418419 24.52953 
1 1 1  -10   33   14 o   73.343   16.041   17.306   7.6685   25.653   10.534   7.8940   11.185   88.799   22.053   57.887   23.301 30.91200 32.08215 
1 1 1  -10   33   15 o   54.133   15.852   4.6620   7.6343   0.5824   10.141   9.9979   11.598   47.189   20.708   61.078   24.006 -13.88911 31.70349 
1 1 1  -10   33   16 o  135.126   11.548   53.898   8.3750   53.434   11.212   54.483   12.596  135.142   15.354  135.110   17.253 0.3224182E-01 23.09570 
1 1 1  -10   33   17 o   77.224   16.846   19.758   7.7175   17.514   10.407   22.500   11.504   72.883   23.349   81.566   24.289 -8.683235 33.69194 
1 1 1  -10   33   18 o   51.623   15.559   2.7311   7.9040   7.9595   10.860  -3.1570   11.525   57.237   22.988   46.010   20.974 11.22687 31.11801 
1 1 1  -10   33   19 o   56.625   16.050   7.1765   7.8715   12.974   10.687   0.3003   11.638   64.192   23.539   49.057   21.825 15.13567 32.09958 
1 1 1  -10   33   20 o   77.563   17.684   21.352   8.4134   20.396   11.462   22.469   12.389   76.084   24.518   79.042   25.492 -2.957855 35.36895 
1 1 1  -10   33   21 o   95.146   16.519   31.950   8.6189   39.135   11.915   24.064   12.483  109.060   20.980   81.232   25.521 27.82866 33.03773 
1 1 1  -10   33   22 f   76.044   17.473   19.852   8.6058   12.236   11.770   28.598   12.614   62.758   24.320   89.329   25.095 -26.57121 34.94614 
1 1 1  -10   33   23 o   45.078   14.766  -4.8120   8.5243  -4.9158   11.698  -4.6946   12.447   44.313   20.536   45.844   21.224 -1.530449 29.53252 
1 1 1  -10   33   24 o  135.104   14.204   58.644   9.2590   90.174   13.576   31.223   12.661  175.477   14.317   94.730   24.537 80.74800 28.40829 
1 1 1  -10   33   25 o   59.719   18.855 -10.7998   10.764   29.437   22.732 -22.4282   12.220   84.214   33.446   35.224   17.420 48.99044 37.71068 
1 1 1  -10   33   26 o   55.506   18.497  -5.1238   14.189  -7.4797   22.507  -3.5698   18.279   56.677   26.948   54.335   25.346 2.341240 36.99458 
1 1 1  -10   33   27 o   62.278   19.507   10.268   13.761  -3.5856   20.893   20.883   18.289   54.369   25.883   70.187   29.192 -15.81810 39.01427 
1 1 1  -10   33   28 o   57.535   18.792   6.1429   13.460   16.439   20.894  -1.1613   17.598   63.852   28.759   51.218   24.197 12.63457 37.58392 
1 1 1  -10   33   29 o   87.229   17.769   29.510   8.7890   28.087   11.760   31.311   13.229   85.809   24.274   88.649   25.955 -2.839928 35.53711 
1 1 1  -10   33   30 o  131.031   12.960   55.476   9.1635   53.881   13.131   56.990   12.794  128.505   18.909  133.556   17.728 -5.051208 25.92009 
1 1 1  -10   33   31 o   79.435   16.544   25.240   8.6403   37.003   11.873   12.000   12.597  100.268   22.471   58.602   24.288 41.66587 33.08856 
1 1 1  -10   33   32 o   41.121   13.743  -4.9963   8.1634  -0.6926   10.816 -10.6928   12.444   43.218   19.929   39.024   18.929 4.193321 27.48562 
1 1 1  -10   34    1 o   42.658   18.203   1.5036   7.4092   0.0000   0.0000   1.5036   7.4092  ?   ?    42.658   18.203      ?      ? 
1 1 1  -10   34    2 o   90.151   17.439   24.891   8.1880   0.0000   0.0000   24.891   8.1880  ?   ?    90.151   17.439      ?      ? 
1 1 1  -10   34    3 o  100.720   14.734   29.501   8.0193   0.0000   0.0000   29.501   8.0193  ?   ?   100.720   14.734      ?      ? 
1 1 1  -10   34    4 o  130.808   13.260   49.091   9.3727   0.0000   0.0000   49.091   9.3727  ?   ?   130.808   13.260      ?      ? 
1 1 1  -10   34    5 o  136.389   11.291   54.351   8.2650   63.761   12.224   46.426   11.218  147.628   15.323  125.150   16.588 22.47746 22.58220 
1 1 1  -10   34    6 o   75.027   17.434   18.906   8.1997   17.401   11.819   20.302   11.385   72.449   24.936   77.606   24.372 -5.157280 34.86850 
1 1 1  -10   34    7 f   57.965   15.091   6.8212   6.8286   17.732   10.433  -1.3564   9.0321   73.207   23.370   42.723   19.100 30.48422 30.18291 
1 1 1  -10   34    8 o   88.959   16.241   27.201   8.1750   34.308   10.994   18.410   12.226  104.022   20.287   73.896   25.366 30.12580 32.48108 
1 1 1  -10   34    9 o   78.314   17.081   20.317   8.0820   14.971   10.885   26.886   12.066   67.969   23.900   88.658   24.411 -20.68907 34.16272 
1 1 1  -10   34   10 f   51.192   15.572   3.1629   7.7655   2.3679   10.613   4.0791   11.393   49.616   21.486   52.767   22.546 -3.150650 31.14419 
1 1 1  -10   34   11 o   51.918   15.180   3.7821   7.4965   10.944   10.104  -4.9866   11.180   60.418   22.749   43.418   20.105 16.99965 30.36012 
1 1 1  -10   34   12 o  101.266   15.818   34.858   8.3838   37.709   11.133   31.123   12.742  108.545   19.707   93.987   24.748 14.55752 31.63565 
1 1 1  -10   34   13 o  109.004   15.540   40.334   8.8484   45.888   11.781   33.146   13.403  121.991   17.871   96.017   25.429 25.97359 31.08065 
1 1 1  -10   34   14 o   54.524   16.217   3.5207   8.4076  -4.2194   11.056   14.137   12.948   43.382   20.055   65.667   25.491 -22.28482 32.43410 
1 1 1  -10   34   15 o   49.147   15.169   2.0593   7.7491   5.6981   9.9406  -3.5770   12.372   51.981   21.563   46.312   21.341 5.669041 30.33796 
1 1 1  -10   34   16 o   51.537   15.762   3.5167   7.9622   3.0796   10.422   4.1293   12.339   49.593   21.384   53.481   23.163 -3.887421 31.52466 
1 1 1  -10   34   17 o   48.346   21.793  -0.8371   12.028   0.0000   0.0000  -0.8371   12.028  ?   ?    48.346   21.793      ?      ? 
1 1 1  -10   34   18 o   90.274   16.919   28.920   8.7068   35.926   11.780   20.485   12.925  104.596   21.560   75.953   26.081 28.64347 33.83826 
1 1 1  -10   34   20 o   49.099   15.545  -0.0563   8.5179  -2.0407   12.085   1.9031   12.008   47.344   21.541   50.854   22.418 -3.510319 31.08985 
1 1 1  -10   34   21 o   55.737   16.468   7.2684   8.3290   9.2104   11.483   5.1124   12.099   57.862   23.497   53.613   23.079 4.249538 32.93518 
1 1 1  -10   34   22 o   61.121   19.735   7.8459   14.240   15.736   22.255   2.3761   18.529   66.407   29.815   55.834   25.865 10.57313 39.47037 
1 1 1  -10   34   23 o   51.795   17.689  -6.1385   14.906  -6.8288   22.252  -5.5766   20.075   52.382   25.385   51.207   24.640 1.174988 35.37745 
1 1 1  -10   34   24 o   56.270   18.858   1.4291   15.327  -1.1534   23.308   3.3964   20.343   56.077   26.870   56.462   26.468 -0.3847618 37.71655 
1 1 1  -10   34   25 f   72.772   31.999   24.662   24.322   24.662   24.322   0.0000   0.0000   72.772   31.999  ?   ?       ?      ? 
1 1 1  -10   34   26 o   39.263   13.495 -15.0160   9.3363  -5.9095   11.394 -33.6261   16.288   41.421   19.538   37.105   18.620 4.316284 26.99013 
1 1 1  -10   34   27 o   66.688   18.811   19.098   10.177   19.752   12.821   17.984   16.735   68.469   25.655   64.908   27.516 3.561371 37.62102 
1 1 1  -10   34   28 o  115.960   18.319   57.017   11.334   63.108   14.625   47.860   17.932  133.844   20.221   98.077   30.552 35.76676 36.63810 
1 1 1  -10   35    1 o   68.584   21.990   15.695   9.2291   0.0000   0.0000   15.695   9.2291  ?   ?    68.584   21.990      ?      ? 
1 1 1  -10   35    2 o   49.176   20.386   4.5771   8.8765   0.0000   0.0000   4.5771   8.8765  ?   ?    49.176   20.386      ?      ? 
1 1 1  -10   35    3 o   32.621   15.817 -11.8481   8.6675   0.0000   0.0000 -11.8481   8.6675  ?   ?    32.621   15.817      ?      ? 
1 1 1  -10   35    4 o   41.233   18.809  -2.8845   9.2886   0.0000   0.0000  -2.8845   9.2886  ?   ?    41.233   18.809      ?      ? 
1 1 1  -10   35    5 o   27.853   14.002 -25.3718   9.4122   0.0000   0.0000 -25.3718   9.4122  ?   ?    27.853   14.002      ?      ? 
1 1 1  -10   35    6 o   79.971   15.928   20.771   8.3529   36.374   12.019   6.1917   11.617  104.849   21.918   55.093   23.117 49.75542 31.85613 
1 1 1  -10   35    7 o  118.023   22.555   46.239   13.860   46.239   13.860   0.0000   0.0000  118.023   22.555  ?   ?       ?      ? 
1 1 1  -10   35    8 o  172.164   9.9815   85.249   9.1862   96.216   14.324   77.588   11.972  180.914   14.652  163.413   13.558 17.50142 19.96292 
1 1 1  -10   35    9 o   66.103   17.159   2.6889   9.1360 -11.8129   11.076   33.559   16.160   38.331   18.408   93.875   28.964 -55.54369 34.31858 
1 1 1  -10   35   10 o   72.366   17.350   18.354   9.3317   26.564   11.466   2.2491   16.059   87.963   23.623   56.769   25.418 31.19438 34.70068 
1 1 1  -10   35   11 f   74.236   18.326   19.800   9.8071   26.046   12.244   8.6194   16.381   85.954   24.914   62.518   26.882 23.43580 36.65218 
1 1 1  -10   35   12 o   77.661   19.233   22.054   9.8257   22.450   12.215   21.327   16.540   79.318   25.284   76.003   28.989 3.314919 38.46576 
1 1 1  -10   35   13 o  126.520   16.486   52.581   10.524   48.835   12.985   59.752   17.966  124.439   19.310  128.601   26.726 -4.161469 32.97219 
1 1 1  -10   35   14 o   58.039   17.239  -0.9177   9.6680 -14.3543   11.940   24.662   16.475   38.027   18.467   78.050   29.114 -40.02225 34.47706 
1 1 1  -10   35   15 o   62.903   18.673   11.843   10.616   5.6239   13.658   21.338   16.875   54.276   23.918   71.531   28.681 -17.25566 37.34542 
1 1 1  -10   35   16 o  102.313   18.967   41.410   10.835   29.077   14.068   59.392   16.986   82.110   27.206  122.517   26.434 -40.40704 37.93315 
1 1 1  -10   35   17 o   41.673   14.371 -13.5770   10.481 -12.2095   14.010 -15.3153   15.795   41.146   19.987   42.200   20.656 -1.053589 28.74269 
1 1 1  -10   35   22 o   74.191   18.972   25.263   11.134   35.248   14.431   10.583   17.499   89.851   27.307   58.532   26.344 31.31953 37.94316 
1 1 1  -10   35   23 o   57.869   17.768   12.010   10.299   13.468   12.970   9.5203   16.945   59.160   24.593   56.578   25.652 2.582592 35.53588 
1 1 1  -10   36    1 o   47.736   20.018   5.5432   8.7035   0.0000   0.0000   5.5432   8.7035  ?   ?    47.736   20.018      ?      ? 
1 1 1  -10   36    2 o   43.178   19.709  -0.3836   10.220   0.0000   0.0000  -0.3836   10.220  ?   ?    43.178   19.709      ?      ? 
1 1 1  -10   36    3 o   39.870   18.734  -4.4741   10.294   0.0000   0.0000  -4.4741   10.294  ?   ?    39.870   18.734      ?      ? 
1 1 1  -10   36    4 o   39.043   18.422  -5.2143   10.144   0.0000   0.0000  -5.2143   10.144  ?   ?    39.043   18.422      ?      ? 
1 1 1  -10   36    5 o   36.545   17.605  -9.3610   10.315   0.0000   0.0000  -9.3610   10.315  ?   ?    36.545   17.605      ?      ? 
1 1 1  -10   36    6 o   49.775   22.093   4.2323   11.859   0.0000   0.0000   4.2323   11.859  ?   ?    49.775   22.093      ?      ? 
1 1 1  -10   36    7 o   87.367   24.092   29.550   11.742   29.550   11.742   0.0000   0.0000   87.367   24.092  ?   ?       ?      ? 
1 1 1  -10   36    8 o   62.199   18.748   13.696   10.732   15.394   12.289   8.2365   22.032   63.837   24.819   60.561   28.107 3.275620 37.49644 
1 1 1  -10   36    9 f   49.430   15.472   2.7954   8.1540  -0.6327   10.923   7.1100   12.254   44.804   20.422   54.056   23.247 -9.251297 30.94351 
1 1 1  -10   36   10 o   48.884   15.037  -0.2315   8.0768 -11.4572   11.115   12.326   11.756   37.432   18.092   60.337   24.024 -22.90506 30.07468 
1 1 1  -10   36   11 o   39.139   13.344 -13.5145   8.5327  -3.3514   12.253 -23.0819   11.889   44.883   20.875   33.394   16.627 11.48957 26.68742 
1 1 1  -10   36   12 o   38.618   13.294 -14.8571   8.9549 -20.4009   12.865  -9.6460   12.473   36.264   17.923   40.972   19.639 -4.708664 26.58750 
1 1 1  -10   36   13 o   41.532   20.013 -10.8285   13.354   0.0000   0.0000 -10.8285   13.354  ?   ?    41.532   20.013      ?      ? 
1 1 1  -10   36   14 o   48.355   23.811 -18.0698   22.007   0.0000   0.0000 -18.0698   22.007  ?   ?    48.355   23.811      ?      ? 
1 1 1  -10   36   15 o   55.127   18.826  -1.5210   16.614   3.1396   25.881  -4.7883   21.669   57.913   27.895   52.340   25.289 5.572952 37.65167 
1 1 1  -10   36   16 f   56.657   19.286   2.5009   17.319   11.968   25.542  -5.5563   23.563   60.659   28.802   52.655   25.655 8.003784 38.57116 
1 1 1  -10   36   17 o   50.369   17.512 -12.4151   15.761   5.2590   24.855 -24.3018   20.383   57.182   27.491   43.556   21.701 13.62602 35.02393 
1 1 1  -10   37    1 o   50.677   19.987   8.2783   8.0659   0.0000   0.0000   8.2783   8.0659  ?   ?    50.677   19.987      ?      ? 
1 1 1  -10   37    2 o   51.748   20.087   8.9180   8.0395   0.0000   0.0000   8.9180   8.0395  ?   ?    51.748   20.087      ?      ? 
1 1 1   -9    0    1 o   31.519   6.9843   3.3687   1.4764   3.3687   1.4764   3.3687   1.4764   31.519   9.8773   31.519   9.8773 0.000000 0.000000 
1 1 1   -9    0    2 o  239.377   3.7420  155.053   6.8377  155.053   6.8377  155.053   6.8377  239.377   5.2920  239.377   5.2920 0.000000 0.000000 
1 1 1   -9    0    3 o   69.029   3.6863   13.094   1.9191   13.094   1.9191   13.094   1.9191   69.029   5.2132   69.029   5.2132 0.000000 0.000000 
1 1 1   -9    0    4 f  418.456   5.4757  473.643   17.497  473.643   17.497  473.643   17.497  418.456   7.7438  418.456   7.7438 0.000000 0.000000 
1 1 1   -9    0    5 o  781.516   9.4906  1652.20   56.643  1652.20   56.643  1652.20   56.643  781.516   13.422  781.516   13.422 0.000000 0.000000 
1 1 1   -9    0    6 o  2023.28   23.951 11093.50  370.089 11093.50  370.089 11093.50  370.089  2023.28   33.872  2023.28   33.872 0.000000 0.000000 
1 1 1   -9    0    7 o  230.229   3.7558  143.449   6.6001  143.449   6.6001  143.449   6.6001  230.229   5.3116  230.229   5.3116 0.000000 0.000000 
1 1 1   -9    0    8 o  1177.58   14.059  3752.79  126.439  3752.79  126.439  3752.79  126.439  1177.58   19.883  1177.58   19.883 0.000000 0.000000 
1 1 1   -9    0    9 o  313.090   4.4718  265.195   10.689  265.195   10.689  265.195   10.689  313.090   6.3241  313.090   6.3241 0.000000 0.000000 
1 1 1   -9    0   10 o   99.076   3.7935   26.756   2.8530   26.756   2.8530   26.756   2.8530   99.076   5.3648   99.076   5.3648 0.000000 0.000000 
1 1 1   -9    0   11 o  1806.29   21.417  8842.97  295.443  8842.97  295.443  8842.97  295.443  1806.29   30.288  1806.29   30.288 0.000000 0.000000 
1 1 1   -9    0   12 f  2114.21   25.054 12126.04  404.537 12126.04  404.537 12126.04  404.537  2114.21   35.432  2114.21   35.432 0.000000 0.000000 
1 1 1   -9    0   13 o  810.871   9.8569  1778.99   61.039  1778.99   61.039  1778.99   61.039  810.871   13.940  810.871   13.940 0.000000 0.000000 
1 1 1   -9    0   14 o  180.043   3.6732   87.807   5.0444   87.807   5.0444   87.807   5.0444  180.043   5.1947  180.043   5.1947 0.000000 0.000000 
1 1 1   -9    0   15 o  1009.07   12.140  2756.86   93.556  2756.86   93.556  2756.86   93.556  1009.07   17.169  1009.07   17.169 0.000000 0.000000 
1 1 1   -9    0   16 o  419.545   5.5929  476.231   17.917  476.231   17.917  476.231   17.917  419.545   7.9095  419.545   7.9095 0.000000 0.000000 
1 1 1   -9    0   17 o  1065.51   12.808  3075.48  104.217  3075.48  104.217  3075.48  104.217  1065.51   18.113  1065.51   18.113 0.000000 0.000000 
1 1 1   -9    0   18 o  269.513   4.2550  196.587   8.7537  196.587   8.7537  196.587   8.7537  269.513   6.0174  269.513   6.0174 0.000000 0.000000 
1 1 1   -9    0   19 o  339.948   4.8541  312.706   12.599  312.706   12.599  312.706   12.599  339.948   6.8647  339.948   6.8647 0.000000 0.000000 
1 1 1   -9    0   22 o  101.169   7.7995   28.649   5.8480   28.649   5.8480   28.649   5.8480  101.169   11.030  101.169   11.030 0.000000 0.000000 
1 1 1   -9    0   23 o  329.014   4.8098  292.948   12.082  292.948   12.082  292.948   12.082  329.014   6.8021  329.014   6.8021 0.000000 0.000000 
1 1 1   -9    0   24 f  387.887   5.3811  407.136   15.937  407.136   15.937  407.136   15.937  387.887   7.6100  387.887   7.6100 0.000000 0.000000 
1 1 1   -9    0   25 o  100.568   5.3558   27.798   4.0624   27.798   4.0624   27.798   4.0624  100.568   7.5743  100.568   7.5743 0.000000 0.000000 
1 1 1   -9    0   26 o  845.603   10.308  1936.12   66.564  1936.12   66.564  1936.12   66.564  845.603   14.577  845.603   14.577 0.000000 0.000000 
1 1 1   -9    0   27 o  736.887   9.0874  1469.73   51.138  1469.73   51.138  1469.73   51.138  736.887   12.851  736.887   12.851 0.000000 0.000000 
1 1 1   -9    0   28 o  560.060   7.1739  848.752   30.681  848.752   30.681  848.752   30.681  560.060   10.145  560.060   10.145 0.000000 0.000000 
1 1 1   -9    0   29 o  345.260   5.0972  322.569   13.436  322.569   13.436  322.569   13.436  345.260   7.2086  345.260   7.2086 0.000000 0.000000 
1 1 1   -9    0   30 o  514.510   6.7224  716.226   26.411  716.226   26.411  716.226   26.411  514.510   9.5069  514.510   9.5069 0.000000 0.000000 
1 1 1   -9    0   31 o  2505.28   29.772 17088.83  569.632 17088.83  569.632 17088.83  569.632  2505.28   42.104  2505.28   42.104 0.000000 0.000000 
1 1 1   -9    0   32 o  1096.23   13.206  3254.47  110.556  3254.47  110.556  3254.47  110.556  1096.23   18.676  1096.23   18.676 0.000000 0.000000 
1 1 1   -9    0   33 o  1159.12   13.932  3639.37  123.325  3639.37  123.325  3639.37  123.325  1159.12   19.702  1159.12   19.702 0.000000 0.000000 
1 1 1   -9    0   34 o  378.111   5.6167  386.895   16.213  386.895   16.213  386.895   16.213  378.111   7.9432  378.111   7.9432 0.000000 0.000000 
1 1 1   -9    0   35 o  501.720   6.7097  681.134   25.705  681.134   25.705  681.134   25.705  501.720   9.4889  501.720   9.4889 0.000000 0.000000 
1 1 1   -9    0   36 o  308.241   5.3014  257.243   12.471  257.243   12.471  257.243   12.471  308.241   7.4974  308.241   7.4974 0.000000 0.000000 
1 1 1   -9    0   37 o  501.437   6.7820  680.471   25.967  680.471   25.967  680.471   25.967  501.437   9.5911  501.437   9.5911 0.000000 0.000000 
1 1 1   -9    0   38 o  133.593   8.4310   49.402   8.4496   49.402   8.4496   49.402   8.4496  133.593   11.923  133.593   11.923 0.000000 0.000000 
1 1 1   -9    0   39 o  972.819   11.860  2564.08   88.108  2564.08   88.108  2564.08   88.108  972.819   16.772  972.819   16.772 0.000000 0.000000 
1 1 1   -9    0   41 o  719.232   9.0758  1400.90   49.848  1400.90   49.848  1400.90   49.848  719.232   12.835  719.232   12.835 0.000000 0.000000 
1 1 1   -9    0   42 o  205.398   6.2224  114.691   9.7262  114.691   9.7262  114.691   9.7262  205.398   8.7999  205.398   8.7999 0.000000 0.000000 
1 1 1   -9    0   43 o  292.745   5.6265  232.217   12.566  232.217   12.566  232.217   12.566  292.745   7.9571  292.745   7.9571 0.000000 0.000000 
1 1 1   -9    0   44 o  525.914   7.1038  749.093   28.527  749.093   28.527  749.093   28.527  525.914   10.046  525.914   10.046 0.000000 0.000000 
1 1 1   -9    0   45 o  391.525   5.9806  415.173   17.875  415.173   17.875  415.173   17.875  391.525   8.4579  391.525   8.4579 0.000000 0.000000 
1 1 1   -9    0   46 o  131.789   8.1883   48.109   8.1002   48.109   8.1002   48.109   8.1002  131.789   11.580  131.789   11.580 0.000000 0.000000 
1 1 1   -9    0   47 o  219.433   5.7934  130.818   9.6842  130.818   9.6842  130.818   9.6842  219.433   8.1931  219.433   8.1931 0.000000 0.000000 
1 1 1   -9    0   48 o  564.397   7.4862  863.834   32.263  863.834   32.263  863.834   32.263  564.397   10.587  564.397   10.587 0.000000 0.000000 
1 1 1   -9    0   51 o  249.118   7.8161  169.392   14.813  169.392   14.813  169.392   14.813  249.118   11.054  249.118   11.054 0.000000 0.000000 
1 1 1   -9    0   52 o   93.763   10.674   25.727   7.0539   25.727   7.0539   25.727   7.0539   93.763   15.096   93.763   15.096 0.000000 0.000000 
1 1 1   -9    0   53 o   86.692   11.658   22.591   6.9113   22.591   6.9113   22.591   6.9113   86.692   16.487   86.692   16.487 0.000000 0.000000 
1 1 1   -9    0   54 o  351.984   5.7866  336.493   15.546  336.493   15.546  336.493   15.546  351.984   8.1835  351.984   8.1835 0.000000 0.000000 
1 1 1   -9    0   55 o  316.142   5.6042  271.655   13.520  271.655   13.520  271.655   13.520  316.142   7.9256  316.142   7.9256 0.000000 0.000000 
1 1 1   -9    0   56 o  139.559   7.5644   53.966   7.9585   53.966   7.9585   53.966   7.9585  139.559   10.698  139.559   10.698 0.000000 0.000000 
1 1 1   -9    0   57 o  428.334   6.3482  499.639   20.759  499.639   20.759  499.639   20.759  428.334   8.9777  428.334   8.9777 0.000000 0.000000 
1 1 1   -9    0   58 o   35.510   15.116   3.7945   7.4388   3.7945   7.4388   3.7945   7.4388   35.510   21.377   35.510   21.377 0.000000 0.000000 
1 1 1   -9    0   59 o   77.584   19.874   22.748   10.818   22.748   10.818   22.748   10.818   77.584   28.106   77.584   28.106 0.000000 0.000000 
1 1 1   -9    0   60 o  229.795   8.3874  146.059   14.639  146.059   14.639  146.059   14.639  229.795   11.862  229.795   11.862 0.000000 0.000000 
1 1 1   -9    0   61 o   48.836   19.075   10.122   10.384   10.122   10.384   10.122   10.384   48.836   26.976   48.836   26.976 0.000000 0.000000 
1 1 1   -9    0   62 o  105.821   10.702   32.935   8.1415   32.935   8.1415   32.935   8.1415  105.821   15.135  105.821   15.135 0.000000 0.000000 
1 1 1   -9    0   63 o  220.627   6.2730  133.678   10.538  133.678   10.538  133.678   10.538  220.627   8.8714  220.627   8.8714 0.000000 0.000000 
1 1 1   -9    0   64 o  313.636   5.9461  269.533   14.228  269.533   14.228  269.533   14.228  313.636   8.4090  313.636   8.4090 0.000000 0.000000 
1 1 1   -9    0   65 o   27.911   13.143  -1.4468   7.5704  -1.4468   7.5704  -1.4468   7.5704   27.911   18.587   27.911   18.587 0.000000 0.000000 
1 1 1   -9    0   66 o  331.623   6.1296  302.707   15.510  302.707   15.510  302.707   15.510  331.623   8.6685  331.623   8.6685 0.000000 0.000000 
1 1 1   -9    0   67 o  141.286   9.3672   57.190   9.9094   57.190   9.9094   57.190   9.9094  141.286   13.247  141.286   13.247 0.000000 0.000000 
1 1 1   -9    0   68 o   92.661   14.221   28.494   8.8275   28.494   8.8275   28.494   8.8275   92.661   20.112   92.661   20.112 0.000000 0.000000 
1 1 1   -9    0   69 o   35.395   15.606   3.9561   8.5877   3.9561   8.5877   3.9561   8.5877   35.395   22.070   35.395   22.070 0.000000 0.000000 
1 1 1   -9    0   70 o   16.279   8.5087 -25.1626   8.2358 -25.1626   8.2358 -25.1626   8.2358   16.279   12.033   16.279   12.033 0.000000 0.000000 
1 1 1   -9    1    1 o  890.253   10.718  2141.01   51.521  2092.97   71.177  2193.89   74.673  879.781   14.972  900.725   15.342 -20.94379 21.43673 
1 1 1   -9    1    2 o  429.586   5.5814  498.544   12.953  506.171   18.575  491.324   18.072  432.783   7.9429  426.389   7.8434 6.393188 11.16282 
1 1 1   -9    1    3 o  1288.40   15.329  4490.82  106.682  4560.78  153.303  4425.13  148.552  1298.11   21.855  1278.69   21.499 19.41541 30.65713 
1 1 1   -9    1    4 o  1639.55   19.440  7282.71  172.220  7246.60  242.297  7319.59  244.835  1635.46   27.417  1643.65   27.566 -8.190674 38.87919 
1 1 1   -9    1    5 o  722.278   8.8110  1409.69   34.377  1387.74   47.863  1433.07   49.406  716.478   12.363  728.078   12.558 -11.59991 17.62197 
1 1 1   -9    1    6 o  2435.76   28.868 16126.71  379.875 15943.37  530.715 16319.33  543.979  2421.67   40.556  2449.85   41.092 -28.18506 57.73522 
1 1 1   -9    1    7 o  538.237   6.7726  782.951   19.697  778.309   27.703  787.697   28.011  536.624   9.5537  539.849   9.6022 -3.225586 13.54529 
1 1 1   -9    1    8 o  689.181   8.4492  1284.01   31.465  1279.55   44.359  1288.54   44.640  687.975   11.932  690.388   11.966 -2.412842 16.89844 
1 1 1   -9    1    9 o  304.507   4.3958  250.549   7.2328  252.503   10.289  248.641   10.170  305.680   6.2290  303.333   6.2043 2.346680 8.791684 
1 1 1   -9    1   10 o  265.284   4.0719  190.000   5.8339  195.334   8.4226  185.080   8.0884  268.859   5.7974  261.708   5.7195 7.151367 8.143854 
1 1 1   -9    1   11 o  503.304   6.4229  684.686   17.468  681.850   24.630  687.557   24.778  502.256   9.0752  504.353   9.0916 -2.097076 12.84588 
1 1 1   -9    1   12 o  1096.81   13.134  3249.96   77.720  3361.39  113.781  3152.50  106.413  1114.37   18.895  1079.26   18.247 35.11365 26.26721 
1 1 1   -9    1   13 o  769.649   9.3776  1601.64   38.994  1584.08   54.526  1620.03   55.787  765.336   13.184  773.963   13.339 -8.626465 18.75530 
1 1 1   -9    1   14 o  697.524   8.5705  1315.76   32.303  1309.91   45.482  1321.72   45.887  695.959   12.094  699.089   12.147 -3.129456 17.14109 
1 1 1   -9    1   15 o  324.545   4.6618  284.689   8.1755  284.996   11.563  284.383   11.560  324.720   6.5901  324.370   6.5954 0.3498535 9.323521 
1 1 1   -9    1   16 o  693.147   8.5361  1300.07   31.972  1299.82   45.192  1300.32   45.239  693.081   12.067  693.213   12.077 -0.1312866 17.07223 
1 1 1   -9    1   17 o  985.840   11.878  2633.90   63.278  2637.39   89.595  2630.44   89.381  986.489   16.808  985.191   16.789 1.297302 23.75669 
1 1 1   -9    1   18 o  490.140   6.3343  649.615   16.776  645.153   23.555  654.207   23.897  488.434   8.9245  491.846   8.9915 -3.412018 12.66867 
1 1 1   -9    1   19 o  515.258   6.6082  718.059   18.399  717.108   26.000  719.013   26.040  514.917   9.3444  515.600   9.3463 -0.6834106 13.21633 
1 1 1   -9    1   22 o  613.456   10.917  1020.26   36.187  1022.30   51.311  1018.24   51.043  614.062   15.464  612.850   15.413 1.211914 21.83311 
1 1 1   -9    1   23 o  170.661   4.0067   78.728   3.6949   78.653   5.2148   78.804   5.2361  170.580   5.6575  170.742   5.6752 -0.1628876 8.013410 
1 1 1   -9    1   24 o  316.505   4.7408  270.823   8.1081  271.179   11.451  270.464   11.482  316.715   6.6912  316.296   6.7178 0.4189758 9.481586 
1 1 1   -9    1   25 f  789.629   9.6721  1688.74   41.270  1691.09   58.458  1686.40   58.271  790.175   13.691  789.083   13.666 1.092407 19.34430 
1 1 1   -9    1   26 f  406.352   5.5747  446.402   12.240  442.401   17.163  450.542   17.460  404.501   7.8520  408.203   7.9154 -3.702148 11.14935 
1 1 1   -9    1   27 o  948.355   11.482  2436.64   58.839  2423.24   82.788  2450.31   83.642  945.728   16.200  950.982   16.277 -5.254761 22.96436 
1 1 1   -9    1   28 o  138.170   4.8226   51.658   3.5877   46.169   5.0299   57.343   5.1189  130.688   7.1225  145.652   6.5038 -14.96397 9.645202 
1 1 1   -9    1   29 o  949.440   11.498  2441.35   58.988  2451.58   83.801  2431.30   83.046  951.405   16.300  947.474   16.220 3.930420 22.99577 
1 1 1   -9    1   30 o  664.400   8.3062  1193.83   29.818  1182.55   41.799  1205.52   42.548  661.208   11.699  667.593   11.794 -6.385498 16.61242 
1 1 1   -9    1   31 o  143.480   5.3950   55.632   4.1804   53.046   5.8614   58.309   5.9638  140.086   7.7431  146.873   7.5144 -6.786774 10.78993 
1 1 1   -9    1   32 o  1576.37   18.815  6753.87  160.265  6784.87  227.724  6723.45  225.589  1579.93   26.674  1572.81   26.543 7.121582 37.63022 
1 1 1   -9    1   33 o  1347.75   16.134  4929.58  117.491  4966.39  167.455  4893.89  164.889  1352.68   22.909  1342.82   22.724 9.859497 32.26804 
1 1 1   -9    1   34 o  672.214   8.4476  1222.26   30.682  1233.46   43.789  1211.45   43.004  675.237   12.001  669.192   11.892 6.044983 16.89527 
1 1 1   -9    1   35 o  947.722   11.520  2432.04   58.978  2398.33   82.212  2467.78   84.658  940.977   16.168  954.467   16.414 -13.48962 23.04005 
1 1 1   -9    1   36 o  417.046   6.0235  470.285   13.574  472.135   19.296  468.473   19.098  417.857   8.5456  416.235   8.4913 1.621704 12.04692 
1 1 1   -9    1   37 o  868.229   10.657  2042.33   49.999  2043.73   70.781  2040.95   70.638  868.523   15.082  867.935   15.061 0.5879517 21.31424 
1 1 1   -9    1   38 o  642.833   8.2404  1118.12   28.621  1106.49   40.118  1130.19   40.844  639.431   11.611  646.235   11.696 -6.804260 16.48071 
1 1 1   -9    1   39 o  742.748   9.3150  1493.20   37.371  1466.29   51.961  1522.04   53.788  735.833   13.068  749.663   13.278 -13.83032 18.62991 
1 1 1   -9    1   41 o  516.025   7.0488  720.604   19.654  725.420   27.955  715.896   27.639  517.727   9.9923  514.322   9.9447 3.405518 14.09762 
1 1 1   -9    1   42 o  206.912   6.1863  115.672   6.9109  119.654   10.031  112.073   9.5353  210.295   8.8269  203.529   8.6700 6.765884 12.37268 
1 1 1   -9    1   43 o  461.164   6.5399  575.667   16.296  574.252   22.919  577.114   23.176  460.595   9.2084  461.734   9.2889 -1.138977 13.07971 
1 1 1   -9    1   44 o  532.190   7.1644  767.007   20.598  754.622   28.745  780.080   29.531  527.783   10.079  536.597   10.185 -8.813904 14.32888 
1 1 1   -9    1   45 o  313.919   5.7036  266.701   9.6736  260.137   13.586  273.451   13.777  309.999   8.1103  317.840   8.0217 -7.841034 11.40722 
1 1 1   -9    1   46 o  198.128   5.9867  106.276   6.4079  104.207   8.9402  108.462   9.1891  196.148   8.4348  200.109   8.4980 -3.960709 11.97343 
1 1 1   -9    1   47 o  231.647   5.7577  145.377   7.2070  144.183   10.166  146.584   10.219  230.690   8.1553  232.605   8.1299 -1.914810 11.51535 
1 1 1   -9    1   48 o  131.254   9.7603   46.903   6.5284   47.162   11.306   46.773   7.9962  131.331   15.931  131.178   11.281 0.1529999 19.52062 
1 1 1   -9    1   51 o   62.094   13.933   5.2863   5.9215   21.333   10.220  -2.8223   7.2652   85.768   21.958   38.421   17.157 47.34721 27.86651 
1 1 1   -9    1   52 o  109.887   8.6501   33.046   5.1354   32.679   7.1773   33.432   7.3508  109.271   12.155  110.504   12.310 -1.232735 17.30022 
1 1 1   -9    1   53 o  367.490   5.8152  367.081   11.543  373.841   16.622  360.785   16.041  370.735   8.2972  364.246   8.1499 6.488525 11.63035 
1 1 1   -9    1   54 o  327.895   5.6969  292.519   10.092  293.932   14.410  291.159   14.139  328.655   8.1143  327.134   7.9984 1.521332 11.39370 
1 1 1   -9    1   55 o  246.033   5.6164  164.966   7.4630  162.710   10.682  167.117   10.431  244.351   8.0900  247.714   7.7927 -3.363144 11.23271 
1 1 1   -9    1   56 f  109.879   9.1063   33.498   5.3412   27.196   7.4369   40.212   7.6759   98.959   13.908  120.799   11.759 -21.84080 18.21258 
1 1 1   -9    1   57 f  144.149   7.3799   57.046   5.6993   67.638   8.2855   47.533   7.8521  156.986   9.7672  131.313   11.066 25.67288 14.75984 
1 1 1   -9    1   58 o  257.630   6.8849  179.962   9.1510  174.181   11.286  191.059   15.636  252.296   8.2781  262.965   11.004 -10.66949 13.76971 
1 1 1   -9    1   59 o   78.977   13.275   19.116   5.6592   14.249   8.2914   23.361   7.7432   68.802   20.651   89.152   16.687 -20.34978 26.55000 
1 1 1   -9    1   60 o   98.378   13.789   27.279   7.3302   0.0000   0.0000   27.279   7.3302  ?   ?    98.378   13.789      ?      ? 
1 1 1   -9    1   61 o  207.436   7.6175  120.096   8.1625  121.028   10.186  118.423   13.644  209.474   8.9991  205.398   12.293 4.076233 15.23508 
1 1 1   -9    1   62 o  222.774   7.1965  139.454   8.3340  143.571   10.547  132.613   13.597  228.137   8.5559  217.411   11.574 10.72577 14.39306 
1 1 1   -9    1   63 o  197.245   6.5306  107.691   6.9570  110.482   10.037  105.110   9.6517  199.667   9.3028  194.823   9.1680 4.844254 13.06119 
1 1 1   -9    1   64 o   58.604   13.875   9.5960   5.4599   15.378   8.0166   4.5934   7.4568   69.603   20.155   47.606   19.073 21.99678 27.74952 
1 1 1   -9    1   65 o  135.960   8.4185   52.547   6.1648   58.174   8.8451   47.232   8.5969  143.306   11.422  128.614   12.370 14.69151 16.83694 
1 1 1   -9    1   66 o  122.054   9.2622   43.318   6.0988   43.400   8.8764   43.244   8.3939  121.913   13.474  122.196   12.712 -0.2830963 18.52434 
1 1 1   -9    1   67 o  136.570   9.2459   54.138   6.7823   48.597   9.7066   59.424   9.4806  129.124   13.911  144.016   12.183 -14.89215 18.49173 
1 1 1   -9    1   68 o  102.086   11.871   33.331   6.1651   45.820   9.0779   22.641   8.3992  123.110   13.646   81.062   19.428 42.04758 23.74162 
1 1 1   -9    1   69 o   93.030   13.039   28.266   6.4063   37.524   9.3644   20.121   8.7833  110.258   15.717   75.803   20.810 34.45499 26.07838 
1 1 1   -9    1   70 o  126.632   9.7503   49.343   6.6295   56.574   9.5971   42.743   9.1687  136.333   13.027  116.930   14.511 19.40226 19.50061 
1 1 1   -9    2    1 o  469.062   6.0143  594.613   15.244  593.567   21.544  595.662   21.573  468.649   8.5073  469.476   8.5038 -0.8265991 12.02869 
1 1 1   -9    2    2 o  931.403   11.207  2345.96   56.401  2335.08   79.430  2357.02   80.100  929.227   15.819  933.579   15.878 -4.352417 22.41305 
1 1 1   -9    2    3 o  1135.00   13.548  3485.14   83.086  3501.90  118.088  3468.70  116.924  1137.70   19.208  1132.30   19.110 5.396729 27.09511 
1 1 1   -9    2    4 o  800.701   9.7052  1732.40   41.972  1702.03   58.286  1765.10   60.488  793.423   13.595  807.978   13.854 -14.55524 19.41031 
1 1 1   -9    2    5 o  697.185   8.5365  1313.03   32.142  1286.69   44.562  1341.59   46.406  689.906   11.953  704.463   12.191 -14.55750 17.07307 
1 1 1   -9    2    6 o  670.302   8.2340  1214.46   29.822  1205.04   41.864  1224.16   42.493  667.665   11.604  672.938   11.686 -5.272766 16.46807 
1 1 1   -9    2    7 o  1136.73   13.580  3495.26   83.392  3450.26  116.358  3542.78  119.574  1129.22   19.069  1144.23   19.339 -15.01636 27.15937 
1 1 1   -9    2    8 o  534.266   6.7497  771.504   19.486  769.060   27.489  773.973   27.627  533.415   9.5367  535.116   9.5544 -1.700806 13.49944 
1 1 1   -9    2    9 o  723.060   8.8419  1413.44   34.544  1402.68   48.493  1424.54   49.221  720.266   12.460  725.854   12.549 -5.587646 17.68384 
1 1 1   -9    2   10 o  770.907   9.3863  1606.59   39.091  1585.58   54.566  1628.75   56.029  765.733   13.187  776.080   13.360 -10.34668 18.77254 
1 1 1   -9    2   11 o  873.589   10.559  2062.62   49.812  2020.40   68.972  2108.64   72.016  864.265   14.769  882.914   15.095 -18.64874 21.11779 
1 1 1   -9    2   12 o  1041.05   12.489  2931.28   70.222  2880.03   97.538  2986.42  101.180  1031.62   17.497  1050.47   17.825 -18.84998 24.97737 
1 1 1   -9    2   13 o  507.808   6.4851  697.042   17.795  699.640   25.263  694.482   25.070  508.747   9.1895  506.869   9.1532 1.877747 12.97029 
1 1 1   -9    2   14 o  521.023   6.6328  733.802   18.672  726.363   26.161  741.527   26.659  518.333   9.3402  523.713   9.4201 -5.379883 13.26563 
1 1 1   -9    2   15 o  370.598   5.1081  371.229   10.229  374.174   14.557  368.356   14.377  372.049   7.2406  369.146   7.2072 2.903015 10.21618 
1 1 1   -9    2   16 o  585.308   7.3481  926.534   23.238  935.250   33.169  918.131   32.566  588.008   10.439  582.608   10.344 5.400330 14.69620 
1 1 1   -9    2   17 o  240.889   4.0775  156.747   5.3059  153.032   7.3946  160.690   7.6178  237.948   5.7510  243.829   5.7817 -5.880936 8.154905 
1 1 1   -9    2   18 o  385.169   5.2774  401.026   10.982  404.603   15.686  397.587   15.382  386.852   7.5038  383.486   7.4227 3.365753 10.55475 
1 1 1   -9    2   19 o  584.850   8.9635  935.511   27.190  890.991   44.743  961.577   34.237  573.535   14.437  596.165   10.628 -22.62958 17.92696 
1 1 1   -9    2   22 o  562.144   8.7444  863.757   25.392  827.703   42.238  884.161   31.775  552.678   14.143  571.610   10.287 -18.93231 17.48875 
1 1 1   -9    2   23 o  550.254   7.0145  819.118   20.855  825.682   29.742  812.768   29.251  552.419   9.9634  548.089   9.8764 4.330261 14.02900 
1 1 1   -9    2   24 o  525.360   6.7687  746.357   19.211  735.121   26.810  758.215   27.541  521.301   9.5174  529.419   9.6270 -8.117432 13.53732 
1 1 1   -9    2   25 o  500.597   6.5105  677.794   17.611  680.531   25.014  675.103   24.799  501.598   9.2285  499.596   9.1860 2.002167 13.02106 
1 1 1   -9    2   26 o  644.813   8.0694  1124.89   28.113  1135.67   40.142  1114.51   39.384  647.839   11.467  641.787   11.356 6.052246 16.13874 
1 1 1   -9    2   27 o  834.009   10.181  1882.55   45.866  1853.39   63.852  1913.64   65.926  827.353   14.282  840.665   14.513 -13.31183 20.36161 
1 1 1   -9    2   28 o  484.014   6.3922  633.474   16.718  633.299   23.690  633.648   23.598  483.947   9.0588  484.082   9.0212 -0.1349487 12.78449 
1 1 1   -9    2   29 o  640.936   8.0470  1111.19   27.870  1109.04   39.359  1113.36   39.469  640.313   11.375  641.559   11.385 -1.245178 16.09395 
1 1 1   -9    2   30 o  1189.21   14.273  3831.89   91.685  3890.38  131.742  3776.96  127.679  1197.98   20.351  1180.45   20.016 17.52917 28.54503 
1 1 1   -9    2   31 o  1194.02   14.326  3864.37   92.434  3857.18  130.486  3871.61  130.959  1192.91   20.243  1195.13   20.278 -2.222900 28.65266 
1 1 1   -9    2   32 o  506.510   6.6794  693.549   18.279  685.919   25.579  701.510   26.130  503.667   9.3985  509.354   9.4935 -5.687927 13.35885 
1 1 1   -9    2   33 o  526.497   6.8963  749.477   19.619  742.489   27.532  756.686   27.963  524.005   9.7232  528.989   9.7825 -4.983337 13.79269 
1 1 1   -9    2   34 o  1227.76   14.733  4088.48   97.741  4097.71  138.594  4079.35  137.863  1229.13   20.867  1226.39   20.803 2.743042 29.46535 
1 1 1   -9    2   35 o   74.532   10.967   15.566   4.2525   15.263   5.7036   15.946   6.3812   73.770   14.822   75.294   16.167 -1.523308 21.93339 
1 1 1   -9    2   36 o  610.450   7.8419  1007.59   25.856  987.959   35.903  1028.74   37.266  604.284   10.995  616.615   11.184 -12.33160 15.68378 
1 1 1   -9    2   37 o  375.399   5.7715  381.063   11.707  379.031   16.553  383.096   16.561  374.397   8.1819  376.401   8.1422 -2.003815 11.54290 
1 1 1   -9    2   38 o  657.745   8.3730  1169.95   29.744  1143.65   41.258  1198.41   42.919  650.064   11.745  665.425   11.936 -15.36169 16.74595 
1 1 1   -9    2   39 o  538.818   7.1967  785.508   20.953  787.367   29.743  783.676   29.524  539.450   10.203  538.187   10.152 1.262390 14.39340 
1 1 1   -9    2   40 o  280.512   5.7032  212.707   8.6428  206.461   12.098  219.216   12.351  276.307   8.1030  284.716   8.0279 -8.409729 11.40639 
1 1 1   -9    2   41 o  756.582   9.4623  1551.06   38.679  1567.74   55.286  1535.07   54.133  760.553   13.452  752.612   13.311 7.941406 18.92458 
1 1 1   -9    2   42 o  545.447   7.2943  805.371   21.499  808.005   30.491  802.766   30.318  546.333   10.328  544.562   10.303 1.771545 14.58867 
1 1 1   -9    2   43 o  632.400   8.1509  1083.80   27.854  1083.84   39.415  1083.76   39.368  632.411   11.534  632.389   11.520 0.2215576E-01 16.30177 
1 1 1   -9    2   44 o  606.152   7.8805  995.668   25.805  1008.52   37.020  983.522   35.989  609.940   11.232  602.364   11.057 7.575562 15.76091 
1 1 1   -9    2   45 o  265.076   5.6425  190.321   8.0719  178.750   11.388  202.001   11.442  256.961   8.2018  273.191   7.7511 -16.23026 11.28493 
1 1 1   -9    2   46 o  502.736   6.8865  684.739   18.699  699.096   26.942  671.395   25.974  507.803   9.8187  497.668   9.6587 10.13470 13.77300 
1 1 1   -9    2   47 o  226.493   5.8002  139.090   7.0906  131.270   10.019  146.938   10.037  220.093   8.4241  232.893   7.9752 -12.80023 11.60038 
1 1 1   -9    2   48 o  360.072   8.2052  352.579   15.964  356.757   22.607  348.423   22.547  362.210   11.550  357.933   11.658 4.276764 16.41042 
1 1 1   -9    2   50 o  100.322   20.666   28.896   10.830   28.896   10.830   0.0000   0.0000  100.322   20.666  ?   ?       ?      ? 
1 1 1   -9    2   51 o  324.696   6.9402  291.397   11.582  271.622   19.316  302.497   14.472  315.579   11.327  333.813   8.0227 -18.23358 13.88040 
1 1 1   -9    2   52 o  320.467   5.5892  279.046   9.6781  275.990   13.718  282.074   13.656  318.707   7.9654  322.228   7.8428 -3.521484 11.17845 
1 1 1   -9    2   53 o  414.960   6.1840  468.666   13.865  472.392   19.799  465.081   19.421  416.561   8.7960  413.360   8.6949 3.200439 12.36809 
1 1 1   -9    2   54 o   81.863   11.904   19.297   5.1645   15.628   7.4814   22.636   7.1381   73.259   18.804   90.468   14.602 -17.20901 23.80735 
1 1 1   -9    2   55 o  116.392   8.6326   37.321   5.4246   37.491   7.8447   37.165   7.5093  116.601   12.451  116.183   11.961 0.4180145 17.26518 
1 1 1   -9    2   56 o  198.158   6.0096  106.892   6.4249  113.034   9.4113  101.531   8.7926  203.458   8.5602  192.857   8.4371 10.60110 12.01928 
1 1 1   -9    2   57 o  184.447   7.7718   92.063   7.3828   88.272   9.0704   99.504   12.709  179.432   9.3549  189.462   12.413 -10.02943 15.54357 
1 1 1   -9    2   58 o  172.001   8.2306   82.183   7.2668   82.686   8.9973   81.239   12.324  173.443   9.5999  170.559   13.372 2.884338 16.46119 
1 1 1   -9    2   59 o  119.464   10.446   39.697   6.4495   42.748   10.988   38.093   7.9662  122.182   16.643  116.745   12.628 5.436913 20.89111 
1 1 1   -9    2   60 o  156.506   9.3923   72.482   7.0611   60.135   12.762   77.929   8.4769  144.846   16.305  168.166   9.3285 -23.31985 18.78465 
1 1 1   -9    2   61 f   89.815   13.771   22.344   6.2633   34.234   10.986   16.619   7.6236  105.951   19.921   73.679   19.019 32.27223 27.54160 
1 1 1   -9    2   62 o  193.781   7.8487  102.850   7.7915   98.275   9.5150  112.162   13.574  188.350   9.3488  199.213   12.610 -10.86385 15.69742 
1 1 1   -9    2   63 o   66.909   14.031   13.814   5.5636   10.245   7.9048   17.318   7.8320   59.153   20.391   74.665   19.279 -15.51210 28.06182 
1 1 1   -9    2   64 o  129.382   8.6917   47.593   6.0705   47.387   8.7681   47.784   8.4129  128.959   12.583  129.804   11.994 -0.8457184 17.38334 
1 1 1   -9    2   65 o  170.431   7.1506   81.670   6.5705   78.485   9.4856   84.608   9.1100  166.973   10.513  173.888   9.6953 -6.914932 14.30114 
1 1 1   -9    2   66 o   54.139   14.469   8.0672   5.9387   4.7305   8.4882   11.267   8.3118   48.621   20.024   59.657   20.890 -11.03600 28.93721 
1 1 1   -9    2   67 o  132.420   9.2257   50.676   6.6011   51.437   9.3781   49.930   9.2931  133.431   13.007  131.409   13.087 2.021729 18.45135 
1 1 1   -9    2   68 o   48.181   14.094   5.7987   5.9938   7.4128   8.6809   4.3282   8.2859   50.630   20.475   45.733   19.373 4.896229 28.18806 
1 1 1   -9    2   69 o  161.294   8.0451   75.384   7.0005   78.919   10.264   72.309   9.5728  164.663   11.535  157.925   11.218 6.738052 16.09013 
1 1 1   -9    2   70 o  163.958   7.9564   80.277   6.9403   66.752   9.9533   93.077   9.6824  148.894   12.371  179.023   10.009 -30.12883 15.91281 
1 1 1   -9    3    1 o  1360.37   16.176  5005.81  118.829  4903.10  164.439  5118.08  171.910  1345.81   22.612  1374.93   23.138 -29.12341 32.35233 
1 1 1   -9    3    2 o  1243.49   14.819  4184.80   99.572  4180.80  140.702  4188.81  140.930  1242.90   20.950  1244.09   20.964 -1.188477 29.63704 
1 1 1   -9    3    3 o  856.134   10.352  1981.95   47.892  1975.61   67.508  1988.36   67.954  854.759   14.616  857.510   14.665 -2.751221 20.70490 
1 1 1   -9    3    4 o  1348.89   16.048  4923.34  116.921  4843.29  162.530  5009.20  168.323  1337.56   22.487  1360.23   22.901 -22.66675 32.09518 
1 1 1   -9    3    5 o  631.627   7.8239  1077.98   26.696  1060.49   37.218  1096.51   38.313  626.354   10.996  636.899   11.133 -10.54529 15.64773 
1 1 1   -9    3    6 o  824.200   9.9888  1836.60   44.482  1819.29   62.316  1854.59   63.514  820.244   14.059  828.156   14.193 -7.911316 19.97770 
1 1 1   -9    3    7 o  514.094   6.5363  714.296   18.157  708.972   25.538  719.739   25.820  512.157   9.2279  516.031   9.2595 -3.873535 13.07260 
1 1 1   -9    3    8 o  311.879   4.4943  262.832   7.5736  264.573   10.788  261.140   10.635  312.898   6.3807  310.861   6.3309 2.036591 8.988517 
1 1 1   -9    3    9 o  858.357   10.390  1992.50   48.187  2009.79   68.778  1975.84   67.533  862.008   14.766  854.706   14.622 7.302673 20.78053 
1 1 1   -9    3   10 o  1682.16   19.979  7676.32  181.599  7710.10  257.970  7643.13  255.686  1685.81   28.319  1678.51   28.190 7.305298 39.95776 
1 1 1   -9    3   11 o  673.344   8.2994  1225.85   30.197  1228.85   42.830  1222.89   42.582  674.162   11.757  672.526   11.717 1.635986 16.59878 
1 1 1   -9    3   12 o  883.651   10.681  2111.75   50.989  2140.09   73.098  2084.89   71.160  889.416   15.209  877.886   15.001 11.53064 21.36223 
1 1 1   -9    3   13 o  1299.87   15.514  4578.80  108.946  4634.99  155.981  4525.27  152.232  1307.63   22.075  1292.11   21.803 15.51819 31.02706 
1 1 1   -9    3   14 o  836.060   10.154  1891.64   45.868  1872.27   64.216  1911.82   65.540  831.698   14.289  840.422   14.432 -8.724609 20.30861 
1 1 1   -9    3   15 o  268.780   4.2394  195.154   6.1555  189.420   8.5952  201.190   8.8195  264.730   6.0085  272.831   5.9822 -8.101288 8.478736 
1 1 1   -9    3   16 o  1028.38   12.375  2866.19   68.756  2835.47   96.163  2898.32   98.346  1022.76   17.400  1033.99   17.602 -11.23254 24.75020 
1 1 1   -9    3   17 o  219.758   3.9634  130.546   4.7058  129.027   6.6880  132.035   6.6224  218.491   5.6647  221.024   5.5448 -2.533371 7.926759 
1 1 1   -9    3   18 o  1036.29   12.477  2911.49   69.857  2879.27   97.686  2945.21   99.936  1030.44   17.544  1042.13   17.746 -11.68884 24.95435 
1 1 1   -9    3   19 o  222.937   8.0862  134.392   9.7412  134.392   9.7412   0.0000   0.0000  222.937   8.0862  ?   ?       ?      ? 
1 1 1   -9    3   22 o  273.380   4.4343  202.025   6.5502  199.424   9.2167  204.679   9.3108  271.602   6.2800  275.158   6.2621 -3.556152 8.868557 
1 1 1   -9    3   23 f  188.920   4.0563   96.471   4.1380   96.576   5.9648   96.373   5.7456  189.018   5.8398  188.822   5.6311 0.1958008 8.112508 
1 1 1   -9    3   24 o  981.932   11.870  2614.25   62.974  2587.82   88.168  2641.79   89.977  976.883   16.702  986.980   16.871 -10.09735 23.74015 
1 1 1   -9    3   25 o  518.283   6.7084  726.484   18.786  719.211   26.359  733.992   26.782  515.649   9.4599  520.917   9.5144 -5.268311 13.41690 
1 1 1   -9    3   26 o  956.385   11.576  2478.59   59.826  2483.10   84.779  2474.11   84.435  957.250   16.390  955.521   16.353 1.729126 23.15269 
1 1 1   -9    3   27 o  139.812   4.7372   52.693   3.5633   54.327   5.3275   51.369   4.7932  141.766   6.9545  137.858   6.4343 3.908127 9.474478 
1 1 1   -9    3   28 o  321.673   4.9591  279.705   8.6195  279.304   12.246  280.099   12.134  321.444   7.0501  321.903   6.9760 -0.4587097 9.918152 
1 1 1   -9    3   29 o  241.429   4.5480  157.449   5.9308  151.177   8.2867  164.035   8.4918  236.502   6.4843  246.356   6.3789 -9.854233 9.095962 
1 1 1   -9    3   30 o  447.015   6.0795  539.863   14.678  550.233   21.167  530.258   20.371  451.145   8.6825  442.885   8.5120 8.259674 12.15896 
1 1 1   -9    3   31 o  764.032   9.4253  1579.43   38.913  1576.41   54.961  1582.46   55.102  763.300   13.325  764.763   13.334 -1.462891 18.85061 
1 1 1   -9    3   32 o  791.881   9.7462  1696.77   41.699  1713.35   59.555  1680.82   58.404  795.670   13.851  788.092   13.715 7.578491 19.49233 
1 1 1   -9    3   33 o  746.031   9.2344  1505.87   37.224  1516.61   53.017  1495.42   52.276  748.651   13.105  743.412   13.013 5.239014 18.46877 
1 1 1   -9    3   34 o  245.559   4.9019  162.852   6.5016  158.167   9.0350  167.885   9.3632  241.899   6.9120  249.219   6.9527 -7.320084 9.803880 
1 1 1   -9    3   35 o  526.581   6.9464  749.294   19.753  766.735   28.557  733.294   27.352  532.446   9.9256  520.716   9.7209 11.72986 13.89288 
1 1 1   -9    3   36 o  497.467   6.7120  669.287   18.042  661.928   25.385  676.799   25.648  494.704   9.4960  500.231   9.4885 -5.526611 13.42407 
1 1 1   -9    3   37 o  254.064   7.6075  174.520   10.444   0.0000   0.0000  174.520   10.444  ?   ?   254.064   7.6075      ?      ? 
1 1 1   -9    3   38 o  606.143   7.8503  994.202   25.713  994.170   36.382  994.234   36.345  606.133   11.108  606.154   11.096 -0.2075195E-01 15.70059 
1 1 1   -9    3   39 o  952.476   11.631  2459.85   59.857  2435.66   83.851  2485.00   85.474  947.716   16.373  957.235   16.524 -9.518494 23.26258 
1 1 1   -9    3   40 o  834.522   10.319  1887.26   46.532  1875.18   65.465  1899.60   66.153  831.827   14.564  837.217   14.623 -5.389526 20.63814 
1 1 1   -9    3   41 o  290.898   5.7714  229.029   9.0659  224.905   12.993  232.943   12.656  288.337   8.3390  293.460   7.9811 -5.122620 11.54283 
1 1 1   -9    3   42 o  753.686   9.4444  1539.79   38.462  1545.13   54.688  1534.56   54.104  754.971   13.405  752.401   13.307 2.569153 18.88881 
1 1 1   -9    3   43 o  376.531   5.9586  383.459   12.117  390.972   17.481  376.511   16.812  380.072   8.5115  372.990   8.3411 7.082428 11.91716 
1 1 1   -9    3   44 o  406.646   6.1133  447.680   13.433  447.032   19.033  448.324   18.962  406.351   8.6680  406.942   8.6231 -0.5910645 12.22670 
1 1 1   -9    3   45 o  234.068   5.7284  148.335   7.2446  149.497   10.193  147.149   10.299  234.999   8.0267  233.138   8.1749 1.860733 11.45677 
1 1 1   -9    3   46 o  174.464   6.4085   82.615   6.0317   87.033   8.4674   78.063   8.5943  179.226   8.7430  169.703   9.3721 9.522964 12.81701 
1 1 1   -9    3   47 o  432.161   6.3254  506.251   14.768  510.414   21.151  502.292   20.628  433.881   9.0216  430.441   8.8686 3.440247 12.65071 
1 1 1   -9    3   48 o  492.197   9.6275  659.501   25.580  684.685   37.211  636.937   35.223  501.048   13.744  483.345   13.486 17.70261 19.25500 
1 1 1   -9    3   49 o  126.823   18.463   44.369   12.653   44.369   12.653   0.0000   0.0000  126.823   18.463  ?   ?       ?      ? 
1 1 1   -9    3   50 o  215.486   8.5281  126.516   9.9225  129.595   14.378  123.716   13.711  217.962   12.207  213.010   11.912 4.952103 17.05627 
1 1 1   -9    3   51 o  119.588   11.857   39.259   7.6405   43.401   11.256   35.721   10.405  125.429   16.607  113.746   16.928 11.68349 23.71414 
1 1 1   -9    3   52 o  128.880   7.9184   45.761   5.4677   41.227   7.9928   49.748   7.4959  122.716   12.054  135.045   10.272 -12.32918 15.83677 
1 1 1   -9    3   53 o  227.310   5.7723  140.645   7.0824  133.334   10.030  147.915   10.002  221.372   8.3850  233.248   7.9354 -11.87575 11.54463 
1 1 1   -9    3   54 f  200.622   5.9501  109.632   6.4385  101.016   9.0192  118.586   9.1942  192.534   8.6690  208.710   8.1523 -16.17621 11.90012 
1 1 1   -9    3   55 o   75.567   11.972   16.231   5.0014   23.846   7.3054   9.5123   6.8615   92.621   14.596   58.513   18.982 34.10797 23.94492 
1 1 1   -9    3   56 o  304.631   5.6826  252.218   9.3375  270.148   13.696  236.644   12.764  314.706   8.0536  294.556   8.0192 20.14911 11.36517 
1 1 1   -9    3   57 o   79.451   14.200   20.007   6.1146   23.459   7.5830   13.590   10.339   89.955   16.196   68.946   23.329 21.00822 28.39995 
1 1 1   -9    3   58 o  155.231   8.7732   68.764   6.9117   61.441   11.641   72.751   8.5897  147.842   14.571  162.620   9.7750 -14.77861 17.54643 
1 1 1   -9    3   59 o   68.952   12.216   15.320   5.8194  -3.1914   10.028   24.718   7.1455   44.282   19.936   93.622   14.124 -49.33994 24.43235 
1 1 1   -9    3   60 f   84.488   11.924   21.470   5.2973   15.274   7.6631   27.141   7.3309   70.909   19.426   98.068   13.834 -27.15929 23.84804 
1 1 1   -9    3   61 o  222.919   7.4966  142.204   8.4138  126.374   14.364  150.471   10.381  211.918   12.544  233.920   8.2127 -22.00237 14.99323 
1 1 1   -9    3   62 o   79.248   13.021   19.329   5.4769   20.857   7.6537   17.726   7.8408   82.865   17.634   75.631   19.163 7.234428 26.04166 
1 1 1   -9    3   63 o   46.534   14.023   1.9776   6.1512   3.5413   7.7863  -0.6189   10.033   46.894   19.230   46.175   20.416 0.7192345 28.04690 
1 1 1   -9    3   64 o   74.792   12.868   17.796   5.6352   8.9853   8.2890   25.367   7.6841   56.403   20.723   93.181   15.261 -36.77836 25.73599 
1 1 1   -9    3   65 o  198.106   6.7644  109.792   7.2165  122.261   10.382   98.135   10.038  209.254   9.1817  186.958   9.9360 22.29604 13.52876 
1 1 1   -9    3   66 o   35.929   11.844  -6.1973   5.7428  -1.4241   8.1734 -10.8512   8.0708   40.168   18.049   31.690   15.341 8.478149 23.68766 
1 1 1   -9    3   67 o  102.759   11.746   32.019   6.3440   36.464   9.2023   27.993   8.7579  110.825   15.366   94.694   17.768 16.13135 23.49112 
1 1 1   -9    3   68 f   39.537   12.699  -0.9309   5.9460  -3.1833   8.8448   0.9264   8.0316   38.224   17.763   40.850   18.154 -2.626907 25.39898 
1 1 1   -9    3   69 o  104.044   11.703   34.705   6.2489   27.309   8.9747   41.665   8.7059   90.299   18.995  117.788   13.678 -27.48843 23.40700 
1 1 1   -9    4    1 o  1096.50   13.125  3252.98   77.765  3266.83  110.509  3239.39  109.451  1098.80   18.612  1094.19   18.511 4.615601 26.25019 
1 1 1   -9    4    2 o  1353.71   16.120  4960.40  117.883  4897.22  164.459  5027.18  169.059  1344.87   22.630  1362.55   22.961 -17.68445 32.23905 
1 1 1   -9    4    3 o  494.914   6.3429  661.908   16.962  654.895   23.782  669.168   24.197  492.246   8.9410  497.581   8.9994 -5.334167 12.68587 
1 1 1   -9    4    4 f  1242.61   14.818  4179.81   99.499  4192.25  141.170  4167.52  140.259  1244.44   20.993  1240.78   20.919 3.667725 29.63670 
1 1 1   -9    4    5 o  502.925   6.4415  683.637   17.506  684.694   24.815  682.590   24.698  503.312   9.1242  502.539   9.0951 0.7734070 12.88301 
1 1 1   -9    4    6 f  1700.54   20.190  7840.86  185.481  7942.68  265.881  7744.33  258.878  1711.24   28.753  1689.83   28.351 21.41174 40.37971 
1 1 1   -9    4    7 o  1058.08   12.687  3028.22   72.510  3076.56  104.231  2982.89  100.939  1066.24   18.091  1049.91   17.792 16.32996 25.37345 
1 1 1   -9    4    8 o  967.176   11.640  2530.42   60.828  2555.65   86.901  2506.17   85.173  971.897   16.547  962.456   16.377 9.440613 23.28089 
1 1 1   -9    4    9 o  1431.04   17.038  5549.52  131.752  5557.33  186.604  5541.76  186.047  1432.04   24.115  1430.04   24.076 2.001221 34.07599 
1 1 1   -9    4   10 o  517.638   6.6033  723.806   18.461  738.557   26.628  710.154   25.617  522.711   9.4272  512.566   9.2488 10.14502 13.20652 
1 1 1   -9    4   11 f  795.561   9.6872  1711.86   41.644  1708.03   58.765  1715.73   59.024  794.667   13.685  796.455   13.715 -1.788757 19.37438 
1 1 1   -9    4   12 o  1139.46   13.644  3516.33   84.001  3483.72  117.642  3550.25  119.984  1134.09   19.197  1144.84   19.395 -10.74866 27.28890 
1 1 1   -9    4   13 o  731.948   8.9797  1448.76   35.501  1474.66   51.124  1424.63   49.336  738.254   12.815  725.641   12.582 12.61273 17.95949 
1 1 1   -9    4   14 o  596.658   7.4841  962.764   24.126  951.770   33.778  974.216   34.473  593.184   10.538  600.132   10.630 -6.948120 14.96815 
1 1 1   -9    4   15 o  852.333   10.354  1966.94   47.682  1945.86   66.736  1988.93   68.151  847.678   14.569  856.989   14.717 -9.310547 20.70861 
1 1 1   -9    4   16 o  647.442   8.0463  1134.19   28.150  1135.74   39.895  1132.65   39.727  647.883   11.395  647.001   11.363 0.8811035 16.09269 
1 1 1   -9    4   17 o  281.335   4.4094  213.934   6.7031  212.368   9.4401  215.527   9.5196  280.296   6.2326  282.373   6.2389 -2.077118 8.818703 
1 1 1   -9    4   18 o  812.419   14.045  1791.80   61.655  1783.56   86.703  1800.22   87.691  810.542   19.796  814.295   19.929 -3.752014 28.08983 
1 1 1   -9    4   21 o  158.391   5.1444   65.971   4.1418   73.266   7.3786   62.615   5.0046  164.590   8.2963  152.192   6.0854 12.39743 10.28883 
1 1 1   -9    4   22 o  101.628   4.7834   27.857   2.6234   29.852   3.8099   26.059   3.6177  105.079   6.7098   98.176   6.8193 6.902924 9.566802 
1 1 1   -9    4   23 o  124.905   6.5986   42.177   4.4537   42.177   4.4537   0.0000   0.0000  124.905   6.5986  ?   ?       ?      ? 
1 1 1   -9    4   24 o  961.072   11.632  2504.26   60.408  2514.62   85.836  2494.10   85.031  963.031   16.495  959.113   16.407 3.918396 23.26469 
1 1 1   -9    4   25 o  1140.81   13.716  3531.25   84.542  3495.70  118.323  3568.33  120.837  1134.97   19.293  1146.64   19.502 -11.67651 27.43262 
1 1 1   -9    4   26 o  949.257   11.500  2441.34   58.985  2449.70   83.792  2433.13   83.048  950.860   16.308  947.654   16.218 3.206177 22.99930 
1 1 1   -9    4   27 o  242.489   4.4806  158.931   5.8694  153.946   8.2651  164.003   8.3365  238.652   6.4091  246.326   6.2630 -7.674225 8.961128 
1 1 1   -9    4   28 o  254.778   4.5410  175.380   6.2493  177.699   8.9891  173.210   8.6938  256.406   6.4878  253.150   6.3555 3.256973 9.082065 
1 1 1   -9    4   29 o  836.403   10.228  1892.09   46.202  1855.90   64.096  1931.22   66.658  828.099   14.324  844.708   14.604 -16.60828 20.45565 
1 1 1   -9    4   30 o  1326.12   15.873  4769.61  113.737  4739.63  159.781  4800.41  161.938  1321.91   22.368  1330.32   22.527 -8.412231 31.74606 
1 1 1   -9    4   31 o  679.406   8.4956  1248.14   31.181  1228.79   43.456  1268.67   44.765  673.986   11.932  684.825   12.097 -10.83826 16.99128 
1 1 1   -9    4   32 o  554.741   7.1804  832.049   21.522  821.096   30.176  843.389   30.705  551.027   10.134  558.456   10.175 -7.428345 14.36090 
1 1 1   -9    4   33 o  555.877   7.2050  835.616   21.642  832.085   30.516  839.188   30.697  554.697   10.181  557.058   10.198 -2.361511 14.40991 
1 1 1   -9    4   34 o  592.409   7.6127  949.169   24.368  942.941   34.250  955.553   34.678  590.443   10.735  594.375   10.797 -3.931885 15.22533 
1 1 1   -9    4   35 f  525.942   6.9706  747.837   19.804  759.942   28.439  736.439   27.595  530.068   9.9288  521.815   9.7866 8.253113 13.94124 
1 1 1   -9    4   36 o  625.170   7.9989  1057.53   27.020  1049.72   37.970  1065.54   38.460  622.834   11.282  627.505   11.342 -4.671814 15.99773 
1 1 1   -9    4   37 o  568.435   7.4637  874.035   22.924  863.376   32.177  885.021   32.667  564.917   10.541  571.953   10.570 -7.035339 14.92744 
1 1 1   -9    4   38 o  636.650   11.557  1097.03   39.758   0.0000   0.0000  1097.03   39.758  ?   ?   636.650   11.557      ?      ? 
1 1 1   -9    4   39 o  497.327   6.8621  668.777   18.433  680.208   26.535  658.116   25.626  501.426   9.7931  493.228   9.6150 8.198212 13.72417 
1 1 1   -9    4   40 o  676.153   8.6128  1237.87   31.464  1248.36   44.931  1227.77   44.076  678.956   12.247  673.349   12.114 5.606079 17.22559 
1 1 1   -9    4   41 o  768.514   9.6002  1600.34   39.851  1625.90   57.343  1576.47   55.423  774.421   13.703  762.607   13.449 11.81445 19.20045 
1 1 1   -9    4   42 o  704.791   8.9255  1345.87   33.986  1326.49   47.490  1366.22   48.657  699.601   12.562  709.980   12.683 -10.37854 17.85098 
1 1 1   -9    4   43 o  935.422   11.480  2379.55   58.019  2401.73   82.916  2358.27   81.214  939.656   16.330  931.189   16.140 8.467163 22.95994 
1 1 1   -9    4   44 o  414.474   6.1743  465.083   13.826  467.262   19.746  462.987   19.367  415.420   8.7963  413.528   8.6669 1.891876 12.34867 
1 1 1   -9    4   45 o  376.257   5.9537  383.168   12.100  389.399   17.415  377.353   16.823  379.204   8.4990  373.309   8.3397 5.895752 11.90731 
1 1 1   -9    4   46 o  499.947   6.8749  677.367   18.564  690.982   26.758  664.734   25.776  504.770   9.8102  495.123   9.6340 9.647064 13.74974 
1 1 1   -9    4   47 o  369.414   8.2134  370.858   16.393  366.441   22.960  375.450   23.414  367.179   11.572  371.649   11.659 -4.469513 16.42686 
1 1 1   -9    4   48 o  154.435   9.9822   65.480   8.2719   61.261   12.193   69.077   11.259  149.689   15.075  159.181   13.089 -9.492691 19.96433 
1 1 1   -9    4   49 o  362.220   12.273  357.883   24.022  357.883   24.022   0.0000   0.0000  362.220   12.273  ?   ?       ?      ? 
1 1 1   -9    4   50 o  285.933   8.0353  222.671   12.412  227.703   17.818  217.928   17.299  289.060   11.407  282.806   11.320 6.253967 16.07053 
1 1 1   -9    4   51 o  196.114   7.6979  104.493   7.5789  106.013   13.536  103.798   9.1472  196.811   12.728  195.417   8.6624 1.393890 15.39574 
1 1 1   -9    4   52 f  376.687   5.9086  385.463   12.017  395.763   17.423  376.116   16.597  381.453   8.4525  371.920   8.2584 9.532959 11.81717 
1 1 1   -9    4   53 o  363.168   5.8609  358.855   11.501  357.881   16.341  359.812   16.190  362.664   8.3384  363.672   8.2383 -1.007904 11.72175 
1 1 1   -9    4   54 o  144.753   7.2713   57.284   5.6848   59.755   8.1649   54.959   7.9197  147.790   10.224  141.715   10.342 6.075836 14.54252 
1 1 1   -9    4   55 o   58.921   13.519   8.8681   5.2484   14.563   7.5996   3.6750   7.2569   70.461   19.362   47.380   18.872 23.08106 27.03817 
1 1 1   -9    4   56 o   52.028   14.122   1.7841   5.9915  -4.8256   7.5868   12.739   9.7670   36.701   16.838   67.355   22.676 -30.65461 28.24345 
1 1 1   -9    4   57 o   42.067   13.393  -2.6567   5.7452  -1.8302   10.896  -2.9749   6.7614   48.019   21.252   36.115   16.304 11.90424 26.78539 
1 1 1   -9    4   58 o  128.440   10.633   49.995   6.5597   37.838   11.486   55.879   7.9909  114.559   18.555  142.322   10.390 -27.76321 21.26633 
1 1 1   -9    4   59 o  142.867   7.6559   56.625   5.9055   55.104   8.4465   58.079   8.2598  140.899   11.094  144.836   10.554 -3.936325 15.31188 
1 1 1   -9    4   60 o  118.045   8.7513   39.032   5.5721   39.000   8.1224   39.061   7.6582  117.870   12.752  118.220   11.988 -0.3498383 17.50252 
1 1 1   -9    4   61 o  152.749   7.5100   65.430   6.1464   59.765   9.0249   70.331   8.3940  146.183   11.425  159.315   9.7504 -13.13168 15.02000 
1 1 1   -9    4   62 o   69.999   15.526   15.281   6.2564   14.923   11.393   15.435   7.4862   69.436   24.448   70.561   19.146 -1.124931 31.05272 
1 1 1   -9    4   63 o  111.598   12.001   34.449   6.7259   22.564   8.4738   54.685   11.057   85.503   18.848  137.692   14.861 -52.18945 24.00206 
1 1 1   -9    4   64 f   58.451   15.571   9.5723   6.6380   10.043   8.5658   8.8649   10.503   58.556   21.134   58.346   22.872 0.2102013 31.14125 
1 1 1   -9    4   65 o   80.777   13.827   21.321   5.9840   18.912   8.8716   23.332   8.1055   75.489   20.989   86.064   18.007 -10.57445 27.65487 
1 1 1   -9    4   66 o  128.577   9.2898   47.699   6.4384   52.401   9.4496   43.625   8.7961  134.557   12.996  122.596   13.278 11.96072 18.57959 
1 1 1   -9    4   67 o   45.669   13.849   2.4032   6.1168   2.1978   8.8530   2.5909   8.4611   45.771   19.722   45.568   19.449 0.2035980 27.69890 
1 1 1   -9    4   68 o  114.369   10.579   40.632   6.5288   40.683   9.4710   40.585   9.0124  114.023   15.371  114.715   14.539 -0.6923828 21.15801 
1 1 1   -9    4   69 o   50.585   14.189   7.0657   6.0323   2.5030   8.8292   11.060   8.2609   44.349   19.395   56.821   20.717 -12.47210 28.37875 
1 1 1   -9    5    1 o  1057.35   12.688  3025.03   72.489  3047.20  103.330  3003.56  101.719  1061.16   18.020  1053.55   17.867 7.611694 25.37654 
1 1 1   -9    5    2 f  720.281   8.8422  1402.69   34.413  1411.10   48.965  1394.49   48.376  722.412   12.543  718.149   12.466 4.262756 17.68435 
1 1 1   -9    5    3 o  1092.99   18.539  3233.09  109.494   0.0000   0.0000  3233.09  109.494  ?   ?   1092.99   18.539      ?      ? 
1 1 1   -9    5    4 o  724.109   8.8865  1417.41   34.764  1435.00   49.777  1400.65   48.573  728.492   12.645  719.726   12.489 8.766479 17.77292 
1 1 1   -9    5    5 o  691.418   8.5178  1292.40   31.820  1303.92   45.425  1281.30   44.587  694.440   12.105  688.396   11.986 6.044250 17.03552 
1 1 1   -9    5    6 o  1100.85   13.193  3279.95   78.474  3298.44  111.624  3261.88  110.346  1103.92   18.713  1097.79   18.602 6.123901 26.38519 
1 1 1   -9    5    7 o  1120.20   13.415  3396.62   81.202  3409.37  115.321  3384.08  114.359  1122.29   19.016  1118.12   18.928 4.159912 26.83013 
1 1 1   -9    5    8 o  1048.29   12.583  2973.71   71.269  2996.58  101.625  2951.57   99.975  1052.25   17.873  1044.33   17.716 7.916748 25.16537 
1 1 1   -9    5    9 o  818.644   9.9587  1811.68   44.034  1844.71   63.450  1781.00   61.159  825.829   14.219  811.460   13.948 14.36847 19.91748 
1 1 1   -9    5   10 f  545.241   6.9276  803.704   20.411  802.604   28.889  804.801   28.840  544.867   9.8121  545.614   9.7820 -0.7463379 13.85511 
1 1 1   -9    5   11 o  303.390   4.5457  248.738   7.4506  250.168   10.666  247.375   10.412  304.240   6.4876  302.539   6.3691 1.701050 9.091479 
1 1 1   -9    5   12 o  419.699   5.6212  476.169   12.747  478.538   18.161  473.869   17.896  420.727   7.9884  418.672   7.9104 2.055450 11.24232 
1 1 1   -9    5   13 o  859.788   10.442  2001.54   48.505  2019.83   69.285  1983.97   67.928  863.627   14.847  855.948   14.686 7.679626 20.88319 
1 1 1   -9    5   14 o  434.642   5.7961  510.761   13.612  512.589   19.375  508.979   19.128  435.408   8.2350  433.875   8.1586 1.533020 11.59215 
1 1 1   -9    5   15 o  686.125   8.4866  1273.82   31.462  1262.10   44.140  1285.93   44.857  682.921   11.961  689.328   12.043 -6.407532 16.97329 
1 1 1   -9    5   16 o  453.044   5.9923  554.797   14.665  563.342   21.054  546.744   20.440  456.428   8.5364  449.659   8.4120 6.768768 11.98464 
1 1 1   -9    5   17 o  679.310   11.930  1251.12   43.792  1249.78   61.775  1252.48   62.087  678.948   16.838  679.673   16.905 -0.7244263 23.85993 
1 1 1   -9    5   20 o  231.436   9.0193  144.887   11.280  144.887   11.280   0.0000   0.0000  231.436   9.0193  ?   ?       ?      ? 
1 1 1   -9    5   21 o  773.872   9.4984  1622.22   39.718  1610.48   55.840  1634.24   56.505  771.043   13.402  776.701   13.463 -5.657959 18.99673 
1 1 1   -9    5   22 o  573.193   7.2883  888.912   22.573  882.571   31.766  895.381   32.084  571.129   10.293  575.256   10.321 -4.127563 14.57650 
1 1 1   -9    5   23 o  740.844   9.1345  1486.14   36.568  1481.97   51.647  1490.32   51.783  739.802   12.919  741.886   12.917 -2.083618 18.26900 
1 1 1   -9    5   24 o  750.432   9.2472  1524.47   37.493  1508.43   52.509  1541.15   53.554  746.412   13.019  754.451   13.136 -8.038269 18.49445 
1 1 1   -9    5   25 o  361.702   5.2254  353.525   10.211  345.026   14.265  362.455   14.622  357.246   7.3896  366.158   7.3900 -8.911926 10.45077 
1 1 1   -9    5   26 o  166.321   4.5695   74.778   4.1013   74.658   5.9527   74.885   5.6588  166.193   6.6284  166.449   6.2915 -0.2564697 9.138905 
1 1 1   -9    5   27 o  748.927   9.2466  1517.92   37.420  1519.85   53.091  1516.02   52.750  749.396   13.111  748.458   13.043 0.9375000 18.49328 
1 1 1   -9    5   28 o  748.692   9.2448  1516.18   37.392  1493.90   52.170  1539.71   53.621  743.045   12.993  754.338   13.155 -11.29303 18.48969 
1 1 1   -9    5   29 o  1394.27   16.673  5274.71  125.609  5238.46  176.413  5311.97  178.888  1389.43   23.497  1399.10   23.662 -9.672363 33.34616 
1 1 1   -9    5   30 o  692.712   8.6408  1298.00   32.343  1301.88   45.899  1294.17   45.583  693.739   12.244  691.685   12.196 2.054138 17.28158 
1 1 1   -9    5   31 o  224.212   4.7603  135.871   5.7670  133.771   8.1286  138.000   8.1833  222.468   6.7618  225.957   6.7022 -3.489288 9.520559 
1 1 1   -9    5   32 o  436.757   6.0263  515.687   14.222  511.019   20.019  520.443   20.208  434.761   8.5213  438.752   8.5235 -3.990723 12.05252 
1 1 1   -9    5   33 o  638.688   8.0975  1103.19   27.942  1089.81   39.112  1117.14   39.935  634.737   11.403  642.639   11.500 -7.902283 16.19502 
1 1 1   -9    5   34 o  745.675   9.2662  1504.21   37.324  1528.26   53.659  1481.66   51.950  751.438   13.215  739.913   12.993 11.52557 18.53248 
1 1 1   -9    5   35 o  342.720   5.4762  317.519   10.140  320.206   14.490  314.941   14.195  344.139   7.7918  341.301   7.6970 2.838135 10.95245 
1 1 1   -9    5   36 o  958.151   11.675  2488.63   60.449  2483.19   85.401  2494.09   85.574  957.102   16.513  959.201   16.510 -2.099426 23.35049 
1 1 1   -9    5   37 o  577.445   7.5933  902.180   23.693  896.894   33.545  907.441   33.470  575.754   10.782  579.135   10.695 -3.381714 15.18666 
1 1 1   -9    5   38 o  922.124   11.293  2305.39   56.269  2309.35   79.777  2301.46   79.376  922.907   15.997  921.341   15.943 1.566345 22.58517 
1 1 1   -9    5   39 o  463.176   9.3354  580.328   23.365  580.328   23.365   0.0000   0.0000  463.176   9.3354  ?   ?       ?      ? 
1 1 1   -9    5   40 o  869.249   10.717  2049.45   50.338  2052.25   71.360  2046.67   71.018  869.835   15.182  868.663   15.130 1.171875 21.43369 
1 1 1   -9    5   41 o  113.201   9.6790   34.775   5.9143   33.253   8.4189   36.259   8.3102  110.741   14.069  115.660   13.297 -4.919296 19.35803 
1 1 1   -9    5   42 o  662.863   8.4802  1190.84   30.373  1195.36   43.221  1186.43   42.692  664.097   12.044  661.630   11.941 2.466980 16.96033 
1 1 1   -9    5   43 o  449.899   6.4758  548.109   15.742  543.922   22.317  552.256   22.210  448.182   9.2149  451.616   9.1010 -3.433105 12.95151 
1 1 1   -9    5   44 o  683.732   8.7067  1267.64   32.149  1294.35   46.439  1243.06   44.551  690.611   12.444  676.853   12.181 13.75781 17.41332 
1 1 1   -9    5   45 o  107.437   9.8175   31.389   5.6988   31.544   8.1351   31.241   7.9856  107.692   13.980  107.183   13.788 0.5087509 19.63492 
1 1 1   -9    5   46 o  294.546   6.8530  236.881   10.410  229.955   17.436  240.717   12.977  291.003   11.088  298.089   8.0562 -7.086151 13.70590 
1 1 1   -9    5   47 o  617.921   11.353  1043.60   37.893  1027.03   52.752  1061.26   54.468  612.914   15.928  622.928   16.181 -10.01422 22.70520 
1 1 1   -9    5   48 o  237.564   8.0498  153.363   10.323  163.446   14.899  144.054   14.316  245.083   11.250  230.046   11.517 15.03680 16.09969 
1 1 1   -9    5   49 o  262.161   8.2746  185.792   11.660  201.982   17.636  173.221   15.540  272.167   11.991  252.155   11.405 20.01161 16.54916 
1 1 1   -9    5   50 o  165.046   9.9297   74.573   8.8437   80.045   12.667   69.369   12.353  171.003   13.708  159.089   14.370 11.91330 19.85931 
1 1 1   -9    5   51 o   44.181   13.839  -2.7476   5.9187   0.6795   11.094  -4.1112   6.9978   52.348   22.305   36.015   16.389 16.33361 27.67843 
1 1 1   -9    5   52 o  178.046   6.3028   86.532   6.0398   83.279   8.8448   89.375   8.2676  174.832   9.3623  181.260   8.4409 -6.427643 12.60558 
1 1 1   -9    5   53 o  219.245   5.7387  130.823   6.7948  125.639   9.6058  136.014   9.6129  214.867   8.2732  223.624   7.9552 -8.756302 11.47739 
1 1 1   -9    5   54 o   71.490   12.942   14.673   5.1527   20.142   7.5454   9.8940   7.0534   83.346   17.319   59.634   19.235 23.71272 25.88313 
1 1 1   -9    5   55 o  173.133   8.0331   82.631   7.2583   83.139   9.1698   81.779   11.877  174.257   9.7383  172.010   12.778 2.247421 16.06617 
1 1 1   -9    5   56 o  233.128   5.8331  147.537   7.3211  158.651   10.944  138.536   9.8492  240.980   8.4047  225.277   8.0909 15.70306 11.66628 
1 1 1   -9    5   57 o  121.136   10.811   39.262   6.4416   46.577   12.309   36.502   7.5594  127.602   17.851  114.671   12.200 12.93131 21.62149 
1 1 1   -9    5   58 o  152.193   7.3695   64.756   5.9810   55.530   8.7186   72.957   8.2201  141.501   11.403  162.885   9.3392 -21.38429 14.73899 
1 1 1   -9    5   59 f  204.803   6.2426  115.327   6.9069  113.481   9.8213  117.134   9.7151  203.134   8.9474  206.473   8.7076 -3.339691 12.48512 
1 1 1   -9    5   60 o  321.938   5.8979  284.936   10.258  280.527   14.595  289.239   14.419  319.401   8.4566  324.476   8.2237 -5.075012 11.79585 
1 1 1   -9    5   61 o  151.369   7.4794   63.682   6.1109   67.086   8.8950   60.639   8.4097  155.179   10.608  147.559   10.547 7.619492 14.95870 
1 1 1   -9    5   62 o  199.258   7.7873  109.045   7.8691  117.410   13.947  105.138   9.5311  203.624   12.675  194.892   9.0502 8.731537 15.57464 
1 1 1   -9    5   63 o   96.275   13.546   35.177   6.5221   12.833   11.710   45.227   7.8530   65.816   24.546  126.733   11.467 -60.91679 27.09268 
1 1 1   -9    5   64 o   52.599   15.142   5.5356   6.6711   4.2733   8.6771   7.3604   10.432   49.118   20.240   56.080   22.528 -6.961895 30.28454 
1 1 1   -9    5   65 o   76.675   14.296   19.426   6.0076   19.154   8.5548   19.690   8.4383   76.019   20.400   77.332   20.032 -1.313766 28.59146 
1 1 1   -9    5   66 o   74.129   13.908   16.946   6.1650   28.234   9.2592   7.9570   8.2629   94.451   18.803   53.807   20.497 40.64452 27.81509 
1 1 1   -9    5   67 f   48.294   13.567   3.4427   6.0311  -5.8085   8.8202   11.567   8.2654   37.045   17.385   59.543   20.832 -22.49758 27.13382 
1 1 1   -9    5   68 o   48.088   14.135   4.5630   6.2091   9.4898   9.1338   0.3301   8.4662   54.720   21.363   41.457   18.517 13.26272 28.27067 
1 1 1   -9    5   69 o  136.560   9.0427   55.740   6.6452   63.109   9.8084   49.487   9.0347  145.155   12.505  127.964   13.066 17.19038 18.08549 
1 1 1   -9    6    1 o  883.046   10.709  2109.19   51.098  2120.21   72.700  2098.43   71.834  885.323   15.197  880.769   15.093 4.553650 21.41824 
1 1 1   -9    6    2 o  1079.23   12.950  3151.88   75.511  3183.08  107.858  3121.89  105.752  1084.46   18.406  1074.01   18.222 10.45654 25.89988 
1 1 1   -9    6    4 o  439.234   5.8553  521.444   13.897  520.263   19.671  522.621   19.636  438.737   8.2975  439.731   8.2638 -0.9940491 11.71057 
1 1 1   -9    6    5 o  1009.88   12.155  2759.81   66.331  2756.55   93.734  2763.08   93.878  1009.28   17.187  1010.47   17.193 -1.194641 24.31027 
1 1 1   -9    6    6 o  1457.28   17.362  5756.58  136.715  5794.25  194.703  5719.94  192.012  1461.97   24.646  1452.60   24.462 9.367798 34.72501 
1 1 1   -9    6    7 o  1152.52   13.806  3596.65   85.978  3571.28  120.721  3622.77  122.480  1148.41   19.454  1156.64   19.597 -8.230347 27.61282 
1 1 1   -9    6    8 f  440.539   5.8609  524.590   13.951  525.315   19.828  523.879   19.634  440.840   8.3237  440.239   8.2534 0.6012268 11.72184 
1 1 1   -9    6    9 o  768.646   9.4118  1596.69   39.058  1557.31   53.891  1640.25   56.686  758.689   13.145  778.604   13.473 -19.91492 18.82359 
1 1 1   -9    6   10 f  130.941   4.1548   46.350   2.9290   46.215   4.3286   46.464   3.9779  130.764   6.1260  131.119   5.6144 -0.3559418 8.309570 
1 1 1   -9    6   11 o  393.013   5.4043  417.528   11.476  412.347   16.134  422.835   16.328  390.546   7.6451  395.481   7.6405 -4.935791 10.80853 
1 1 1   -9    6   13 o  601.284   7.5632  978.041   24.574  973.875   34.669  982.247   34.836  599.998   10.693  602.571   10.699 -2.572998 15.12638 
1 1 1   -9    6   14 o  690.179   8.5428  1289.09   31.859  1281.14   44.847  1297.18   45.268  688.034   12.062  692.325   12.100 -4.291016 17.08556 
1 1 1   -9    6   15 o  276.992   4.4596  207.235   6.6698  211.225   9.6591  203.598   9.2211  279.537   6.3946  274.447   6.2178 5.089722 8.919162 
1 1 1   -9    6   16 o  562.610   10.137  856.932   30.804  843.243   42.816  871.622   44.353  557.968   14.201  567.252   14.470 -9.284363 20.27381 
1 1 1   -9    6   19 o  932.437   16.062  2363.95   80.859  2304.05  111.586  2430.18  117.335  920.097   22.443  944.778   22.983 -24.68079 32.12368 
1 1 1   -9    6   20 o  410.589   5.6200  455.850   12.468  450.454   17.520  461.387   17.747  408.127   7.9442  413.050   7.9514 -4.922791 11.23991 
1 1 1   -9    6   21 o  387.268   5.4278  405.477   11.356  408.201   16.256  402.880   15.870  388.536   7.7429  386.000   7.6086 2.535065 10.85554 
1 1 1   -9    6   22 o  623.371   7.8493  1051.02   26.431  1030.30   36.787  1073.13   38.001  617.029   11.033  629.712   11.168 -12.68250 15.69870 
1 1 1   -9    6   23 o  565.218   7.2239  864.212   22.062  856.652   31.011  871.961   31.395  562.716   10.198  567.720   10.234 -5.003296 14.44781 
1 1 1   -9    6   24 o  851.341   10.387  1962.21   47.770  1933.58   66.631  1992.50   68.521  844.966   14.593  857.717   14.784 -12.75098 20.77327 
1 1 1   -9    6   25 o  1001.84   12.112  2719.34   65.556  2686.90   91.633  2753.35   93.826  995.737   17.030  1007.94   17.227 -12.20239 24.22374 
1 1 1   -9    6   26 o  537.787   6.9728  781.093   20.246  756.936   27.940  807.799   29.378  529.049   9.7735  546.526   9.9478 -17.47675 13.94560 
1 1 1   -9    6   27 o  495.409   6.5556  663.028   17.541  645.078   24.341  682.419   25.300  488.442   9.2222  502.376   9.3196 -13.93384 13.11121 
1 1 1   -9    6   28 o  272.136   4.7748  199.835   7.0134  186.973   9.7192  213.807   10.130  263.014   6.8385  281.258   6.6656 -18.24341 9.549642 
1 1 1   -9    6   29 o  1303.07   15.606  4604.64  109.880  4567.91  154.160  4642.57  156.656  1297.81   21.982  1308.34   22.158 -10.52393 31.21246 
1 1 1   -9    6   30 o  494.299   6.5805  660.342   17.572  648.723   24.506  672.638   25.210  489.827   9.2585  498.770   9.3536 -8.943115 13.16095 
1 1 1   -9    6   31 o  708.698   8.8369  1358.20   33.830  1335.08   47.099  1382.85   48.622  702.476   12.408  714.921   12.586 -12.44452 17.67370 
1 1 1   -9    6   32 o  1206.65   14.493  3948.46   94.496  3934.61  133.202  3962.49  134.079  1204.53   20.465  1208.77   20.527 -4.247070 28.98561 
1 1 1   -9    6   33 o  764.208   9.4699  1580.43   39.104  1568.16   54.923  1593.05   55.688  761.203   13.352  767.213   13.432 -6.009766 18.93989 
1 1 1   -9    6   34 o  680.448   8.5684  1252.91   31.505  1246.15   44.394  1259.77   44.716  678.600   12.107  682.295   12.128 -3.694641 17.13680 
1 1 1   -9    6   35 o  1132.73   13.677  3480.83   83.684  3426.06  116.515  3539.18  120.269  1123.57   19.191  1141.89   19.491 -18.31750 27.35318 
1 1 1   -9    6   37 o  624.547   8.0463  1055.66   27.155  1052.78   38.466  1058.52   38.340  623.695   11.413  625.399   11.345 -1.704102 16.09261 
1 1 1   -9    6   38 o  735.682   9.2464  1465.61   36.756  1453.01   51.679  1478.52   52.288  732.485   13.057  738.879   13.096 -6.394653 18.49282 
1 1 1   -9    6   39 o  298.809   5.7418  241.464   9.2674  241.865   13.297  241.085   12.923  299.046   8.2286  298.571   8.0101 0.4752502 11.48353 
1 1 1   -9    6   40 o  129.783   8.3846   45.620   5.8523   45.674   8.7126   45.576   7.8997  129.837   12.418  129.729   11.269 0.1078339 16.76919 
1 1 1   -9    6   41 o  349.963   5.8633  331.114   11.076  335.978   16.086  326.729   15.274  352.397   8.4474  347.529   8.1335 4.867157 11.72654 
1 1 1   -9    6   42 o  313.768   5.7479  266.393   9.7439  268.365   13.925  264.502   13.640  314.902   8.1833  312.634   8.0738 2.267914 11.49575 
1 1 1   -9    6   43 o  816.508   10.152  1811.20   44.790  1822.84   63.842  1799.91   62.854  819.071   14.424  813.946   14.291 5.124573 20.30478 
1 1 1   -9    6   44 o  625.957   8.1169  1062.58   27.448  1075.56   39.369  1050.29   38.287  629.658   11.571  622.257   11.387 7.401367 16.23384 
1 1 1   -9    6   45 o  474.903   6.7155  611.352   17.230  614.080   24.621  608.733   24.121  475.928   9.5737  473.877   9.4200 2.050720 13.43095 
1 1 1   -9    6   46 o  182.469   8.6685   90.552   8.5459   88.739   12.086   92.365   12.086  180.630   12.382  184.308   12.135 -3.677612 17.33710 
1 1 1   -9    6   47 o  254.435   7.8065  175.470   10.706  158.874   14.751  193.941   15.563  241.723   11.293  267.147   10.781 -25.42326 15.61293 
1 1 1   -9    6   48 o  126.149   8.9394   43.741   5.9821   33.780   8.3506   54.240   8.5738  111.158   13.902  141.141   11.242 -29.98323 17.87890 
1 1 1   -9    6   49 o  256.887   8.2391  180.176   11.403  175.113   16.638  184.662   15.660  253.379   12.152  260.394   11.130 -7.015198 16.47814 
1 1 1   -9    6   50 o   90.644   16.553   23.713   8.1651   27.477   12.135   20.599   11.038   97.007   23.416   84.281   23.403 12.72560 33.10606 
1 1 1   -9    6   51 o  286.860   7.1120  219.173   9.9914  236.712   18.917  212.387   11.767  294.113   11.903  279.606   7.7878 14.50772 14.22404 
1 1 1   -9    6   52 o  200.035   6.0978  109.194   6.5656   98.280   9.2935  120.069   9.2768  189.955   9.0540  210.115   8.1706 -20.16042 12.19563 
1 1 1   -9    6   53 o  194.521   6.1577  102.517   6.4541  112.127   9.5562   94.456   8.7517  202.855   8.7179  186.188   8.6986 16.66685 12.31537 
1 1 1   -9    6   54 o   65.138   14.091   12.372   6.1170   18.453   7.6457   1.5583   10.196   79.425   18.204   50.850   21.513 28.57467 28.18158 
1 1 1   -9    6   55 o  105.335   11.731   30.243   6.5281   27.002   8.2485   35.676   10.680   98.260   15.535  112.410   17.582 -14.15034 23.46213 
1 1 1   -9    6   56 o  289.005   7.1809  229.695   10.342  229.279   18.623  229.881   12.437  287.853   11.973  290.157   7.9320 -2.303802 14.36187 
1 1 1   -9    6   57 o  143.802   7.5773   57.441   5.8060   54.629   8.8541   59.563   7.6901  140.412   11.670  147.191   9.6685 -6.779602 15.15452 
1 1 1   -9    6   58 o   99.155   10.505   28.862   5.3223   22.898   7.8685   33.893   7.2261   88.037   17.157  110.272   12.127 -22.23476 21.00987 
1 1 1   -9    6   59 o  146.453   7.5233   59.756   5.9042   56.583   8.7900   62.365   7.9696  142.617   11.406  150.289   9.8135 -7.672577 15.04657 
1 1 1   -9    6   60 o   64.545   13.560   11.609   5.4193   19.349   8.1731   5.5367   7.2396   79.477   19.238   49.614   19.116 29.86209 27.12022 
1 1 1   -9    6   61 o  205.501   6.2449  116.686   6.9192  116.099   10.113  117.203   9.4877  204.858   9.1352  206.144   8.5173 -1.286484 12.48987 
1 1 1   -9    6   62 o  247.814   6.0278  169.648   8.0587  166.657   11.672  172.373   11.140  245.555   8.7964  250.073   8.2440 -4.517365 12.05567 
1 1 1   -9    6   63 o  178.475   8.4439   89.524   7.5924   92.230   13.463   88.262   9.1939  178.954   13.922  177.997   9.5587 0.9574127 16.88778 
1 1 1   -9    6   64 o  153.104   8.1757   66.143   6.7297   69.372   10.124   63.587   9.0081  156.162   11.997  150.046   11.110 6.116409 16.35141 
1 1 1   -9    6   65 o   80.514   14.957   23.036   7.0334   29.736   9.1544   13.383   10.988   97.023   18.128   64.006   23.796 33.01725 29.91447 
1 1 1   -9    6   66 o  108.527   15.119   34.780   8.8665   0.0000   0.0000   34.780   8.8665  ?   ?   108.527   15.119      ?      ? 
1 1 1   -9    6   67 o   69.384   14.113   17.252   6.3228   7.2974   9.4336   25.371   8.5196   51.668   21.175   87.099   18.663 -35.43104 28.22577 
1 1 1   -9    6   68 o  112.061   11.022   38.404   6.6310   44.711   9.7720   33.021   9.0274  121.098   14.933  103.024   16.216 18.07458 22.04439 
1 1 1   -9    6   69 o  150.865   8.5754   67.918   6.9650   71.026   10.381   65.373   9.3927  153.514   12.515  148.215   11.728 5.298676 17.15085 
1 1 1   -9    7    1 o  701.695   8.6920  1331.52   32.955  1339.50   46.927  1323.76   46.291  703.766   12.340  699.625   12.245 4.141235 17.38396 
1 1 1   -9    7    2 o  814.005   9.9330  1792.54   43.691  1794.61   61.894  1790.47   61.684  814.474   14.063  813.536   14.032 0.9373169 19.86599 
1 1 1   -9    7    3 o  907.900   11.012  2230.48   54.018  2245.79   77.008  2215.65   75.792  910.959   15.644  904.841   15.501 6.118835 22.02316 
1 1 1   -9    7    4 o  252.901   6.0892  172.851   8.3215   0.0000   0.0000  172.851   8.3215  ?   ?   252.901   6.0892      ?      ? 
1 1 1   -9    7    5 o  910.463   11.048  2243.71   54.350  2255.38   77.292  2232.29   76.441  912.800   15.670  908.126   15.577 4.674805 22.09535 
1 1 1   -9    7    6 o  448.468   5.9795  543.718   14.490  544.908   20.584  542.549   20.401  448.954   8.4847  447.983   8.4276 0.9711609 11.95890 
1 1 1   -9    7    7 o  695.850   8.6212  1310.03   32.417  1311.96   45.959  1308.11   45.731  696.359   12.214  695.342   12.171 1.017273 17.24249 
1 1 1   -9    7    8 o  859.627   10.470  2000.93   48.636  1997.52   68.694  2004.36   68.869  858.893   14.801  860.362   14.813 -1.468628 20.94060 
1 1 1   -9    7    9 f  599.730   7.5817  972.878   24.568  979.047   35.019  966.899   34.477  601.598   10.772  597.861   10.672 3.737061 15.16331 
1 1 1   -9    7   10 o  636.387   7.9854  1095.21   27.451  1076.97   38.234  1114.61   39.437  630.928   11.215  641.846   11.371 -10.91803 15.97072 
1 1 1   -9    7   11 o  348.616   5.0431  328.365   9.4955  334.009   13.687  323.128   13.184  351.500   7.2060  345.732   7.0572 5.768463 10.08616 
1 1 1   -9    7   12 o  546.706   9.8812  808.439   29.191   0.0000   0.0000  808.439   29.191  ?   ?   546.706   9.8812      ?      ? 
1 1 1   -9    7   13 o  338.538   6.9961  309.829   12.798   0.0000   0.0000  309.829   12.798  ?   ?   338.538   6.9961      ?      ? 
1 1 1   -9    7   14 o  458.456   7.4668  571.959   17.580  579.505   21.787  557.883   29.759  462.913   8.7100  453.999   12.131 8.914063 14.93370 
1 1 1   -9    7   15 o  1036.90   25.118  2927.93  140.737   0.0000   0.0000  2927.93  140.737  ?   ?   1036.90   25.118      ?      ? 
1 1 1   -9    7   18 o  648.014   9.9731  1144.44   33.202  1116.44   56.150  1159.50   41.171  641.583   16.196  654.445   11.642 -12.86285 19.94615 
1 1 1   -9    7   19 o  868.307   10.582  2043.58   49.650  2033.12   69.900  2054.24   70.535  866.069   14.936  870.545   14.994 -4.476685 21.16397 
1 1 1   -9    7   20 o  607.043   7.6790  997.199   25.188  999.131   35.774  995.300   35.472  607.623   10.895  606.463   10.824 1.159607 15.35802 
1 1 1   -9    7   21 o  143.760   4.7481   55.823   3.6793   56.552   5.4128   55.196   5.0166  144.630   6.9259  142.891   6.4970 1.738708 9.496232 
1 1 1   -9    7   22 o  259.162   4.5587  181.607   6.3803  180.190   9.1630  182.941   8.8894  258.178   6.5679  260.147   6.3236 -1.968445 9.117335 
1 1 1   -9    7   23 o  454.873   6.1075  559.481   15.012  553.635   21.174  565.389   21.285  452.483   8.6600  457.263   8.6145 -4.780304 12.21492 
1 1 1   -9    7   24 o  672.250   8.4081  1222.73   30.542  1213.63   42.989  1232.01   43.401  669.724   11.879  674.775   11.903 -5.050842 16.81617 
1 1 1   -9    7   25 o  812.949   9.9685  1789.05   43.789  1778.51   61.662  1799.78   62.196  810.535   14.079  815.362   14.116 -4.826782 19.93694 
1 1 1   -9    7   26 o  259.790   4.7301  182.574   6.6341  174.654   9.4226  190.359   9.3420  254.195   6.8598  265.384   6.5144 -11.18829 9.460196 
1 1 1   -9    7   27 o  1259.79   15.103  4302.93  102.793  4255.41  143.783  4352.61  147.014  1252.70   21.241  1266.87   21.475 -14.17517 30.20527 
1 1 1   -9    7   28 o  800.987   9.8473  1736.03   42.621  1729.69   60.165  1742.42   60.387  799.519   13.926  802.455   13.926 -2.935547 19.69452 
1 1 1   -9    7   29 o  238.367   4.7976  153.534   6.1783  155.399   8.8473  151.758   8.6315  239.779   6.8283  236.954   6.7411 2.824265 9.595232 
1 1 1   -9    7   30 o  829.032   10.176  1858.45   45.553  1814.51   62.973  1906.68   65.976  818.779   14.233  839.284   14.548 -20.50482 20.35220 
1 1 1   -9    7   31 o  870.861   10.654  2051.64   50.109  2009.53   69.481  2097.29   72.336  861.571   14.924  880.150   15.209 -18.57953 21.30849 
1 1 1   -9    7   32 o  241.815   5.1736  157.837   6.7550  164.033   9.7912  152.210   9.3314  246.337   7.3556  237.294   7.2773 9.042862 10.34719 
1 1 1   -9    7   33 o  251.093   5.1730  170.413   7.0127  171.022   10.140  169.855   9.7089  251.520   7.4606  250.666   7.1678 0.8538818 10.34594 
1 1 1   -9    7   34 o  789.278   9.7728  1686.67   41.677  1668.46   58.431  1705.52   59.462  784.950   13.776  793.607   13.866 -8.656616 19.54563 
1 1 1   -9    7   36 o  174.718   6.5167   82.833   6.1324   77.305   8.8253   87.993   8.5273  169.054   9.6609  180.381   8.7485 -11.32700 13.03336 
1 1 1   -9    7   37 o  261.848   5.5972  185.403   7.9186  181.297   11.161  189.566   11.237  258.927   7.9769  264.769   7.8540 -5.842163 11.19444 
1 1 1   -9    7   38 o  731.240   9.2069  1448.14   36.380  1444.15   51.493  1452.11   51.404  730.231   13.050  732.248   12.991 -2.016907 18.41384 
1 1 1   -9    7   39 o  669.077   8.5631  1212.59   30.959  1209.19   43.878  1215.96   43.688  668.137   12.153  670.017   12.067 -1.880493 17.12619 
1 1 1   -9    7   40 o  305.706   5.7934  252.598   9.5565  256.578   13.941  249.069   13.125  307.968   8.3774  303.444   8.0047 4.523132 11.58689 
1 1 1   -9    7   41 o   76.077   12.215   16.519   5.6830   2.7253   8.3006   28.690   7.7971   49.330   19.996  102.824   14.033 -53.49397 24.42919 
1 1 1   -9    7   42 o  633.534   8.1824  1088.22   28.012  1081.57   39.532  1094.93   39.697  631.589   11.583  635.480   11.560 -3.891541 16.36489 
1 1 1   -9    7   43 o  359.438   5.8929  349.512   11.441  336.181   15.959  363.606   16.410  352.388   8.3811  366.488   8.2861 -14.10007 11.78572 
1 1 1   -9    7   44 o  165.108   6.9091   73.900   6.1588   73.663   8.8908   74.119   8.5394  164.842   9.9813  165.374   9.5559 -0.5324249 13.81814 
1 1 1   -9    7   45 o  130.437   10.594   46.380   7.4618   48.806   10.640   44.032   10.467  133.814   14.715  127.059   15.245 6.754723 21.18835 
1 1 1   -9    7   46 o  322.401   7.8201  282.361   13.622  279.054   19.062  285.811   19.472  320.481   11.007  324.321   11.111 -3.839630 15.64011 
1 1 1   -9    7   47 o  420.875   7.6730  475.256   16.449  462.895   20.025  500.901   28.843  413.002   8.9729  428.747   12.449 -15.74579 15.34610 
1 1 1   -9    7   48 o  116.727   11.486   37.056   6.9507   36.117   8.6356   38.784   11.713  114.908   13.908  118.546   18.285 -3.638824 22.97289 
1 1 1   -9    7   49 o   98.271   15.728   27.592   8.1682   33.851   12.197   22.502   10.999  108.463   21.570   88.079   22.897 20.38395 31.45691 
1 1 1   -9    7   50 o  173.977   9.6085   82.955   8.9861   83.739   13.435   82.320   12.088  174.592   14.241  173.363   12.903 1.229599 19.21707 
1 1 1   -9    7   51 o  109.928   9.7494   34.145   5.6145   25.713   8.1737   41.677   7.7254   96.438   15.685  123.418   11.584 -26.97987 19.49881 
1 1 1   -9    7   52 o  109.959   9.3095   33.510   5.4725   31.105   8.1755   35.463   7.3662  106.191   14.247  113.727   11.986 -7.535912 18.61896 
1 1 1   -9    7   53 f  238.144   5.8411  154.465   7.5154  156.910   10.748  152.126   10.513  239.981   8.2880  236.307   8.2331 3.674347 11.68223 
1 1 1   -9    7   54 o  221.838   7.4889  134.363   8.5798  132.781   10.643  137.297   14.500  220.472   8.9335  223.203   12.022 -2.731125 14.97788 
1 1 1   -9    7   55 o  396.834   7.8794  424.734   15.256  454.279   28.964  413.390   17.947  404.668   13.245  389.001   8.5380 15.66739 15.75883 
1 1 1   -9    7   56 o  244.370   7.4426  165.119   8.9216  163.176   16.460  165.927   10.616  242.331   12.570  246.410   7.9731 -4.079590 14.88523 
1 1 1   -9    7   57 o  245.274   5.8851  164.491   7.7775  167.890   11.491  161.618   10.565  247.501   8.5921  243.047   8.0445 4.453903 11.77026 
1 1 1   -9    7   58 o  129.432   8.2485   45.830   5.6865   58.239   8.6221   36.278   7.5651  144.880   11.013  113.983   12.282 30.89734 16.49698 
1 1 1   -9    7   59 o   42.728   12.926   0.7150   5.2663   1.8897   8.0080  -0.1802   6.9907   45.432   19.135   40.025   17.385 5.407253 25.85280 
1 1 1   -9    7   60 o   51.074   13.721   5.7599   5.2446   8.9462   8.0208   3.3800   6.9319   57.016   20.466   45.132   18.281 11.88439 27.44160 
1 1 1   -9    7   61 o   64.736   13.724   11.774   5.4591   19.618   8.4109   6.0638   7.1760   79.324   19.709   50.148   19.102 29.17601 27.44734 
1 1 1   -9    7   62 o   71.514   13.669   15.372   5.5648   21.973   8.3828   10.172   7.4407   84.380   18.859   58.648   19.792 25.73178 27.33817 
1 1 1   -9    7   63 o  123.105   9.2872   43.298   6.1465   44.685   9.2206   42.189   8.2457  124.566   13.699  121.645   12.544 2.921402 18.57445 
1 1 1   -9    7   64 f   58.905   13.588   10.265   6.4582  -9.4820   11.820   18.670   7.7110   41.361   19.626   76.450   18.797 -35.08930 27.17548 
1 1 1   -9    7   65 o  117.375   12.061   40.635   7.5380   34.128   9.7386   50.360   11.905  106.040   16.996  128.710   17.118 -22.67046 24.12198 
1 1 1   -9    7   66 o  233.178   8.0748  155.065   9.8200  155.265   12.402  154.730   16.079  235.020   9.7653  231.336   12.863 3.684189 16.14959 
1 1 1   -9    7   67 o   72.278   15.072   19.633   6.5147   14.752   9.6147   23.776   8.8581   62.658   22.416   81.897   20.153 -19.23875 30.14367 
1 1 1   -9    7   68 o  216.154   6.9518  134.125   8.0788  123.258   11.650  144.193   11.213  206.955   10.417  225.352   9.2081 -18.39758 13.90364 
1 1 1   -9    8    2 o  245.942   6.1309  163.489   8.1479   0.0000   0.0000  163.489   8.1479  ?   ?   245.942   6.1309      ?      ? 
1 1 1   -9    8    4 o  465.828   6.2075  586.705   15.625  580.701   21.968  592.852   22.228  463.417   8.7726  468.239   8.7849 -4.822815 12.41500 
1 1 1   -9    8    5 o  368.371   5.2699  366.798   10.488  369.352   14.992  364.350   14.678  369.625   7.5060  367.116   7.3991 2.508667 10.53977 
1 1 1   -9    8    6 o  1047.06   12.637  2971.95   71.497  2947.24  100.373  2997.41  101.868  1042.66   17.815  1051.47   17.929 -8.812866 25.27481 
1 1 1   -9    8    7 o  523.924   6.8138  742.377   19.290  743.908   27.416  740.877   27.145  524.457   9.6741  523.392   9.5980 1.065491 13.62759 
1 1 1   -9    8    8 o  536.744   6.9471  779.182   20.149  773.199   28.404  785.242   28.587  534.669   9.8311  538.818   9.8184 -4.148682 13.89428 
1 1 1   -9    8    9 o  1147.31   13.793  3571.68   85.512  3564.65  120.695  3578.77  121.172  1146.18   19.487  1148.44   19.526 -2.257813 27.58632 
1 1 1   -9    8   10 o  1035.98   12.503  2909.88   69.987  2887.33   98.226  2933.14   99.745  1031.91   17.615  1040.04   17.748 -8.125732 25.00606 
1 1 1   -9    8   11 o  626.670   7.8975  1062.61   26.743  1059.44   37.768  1065.80   37.875  625.732   11.170  627.607   11.168 -1.874390 15.79510 
1 1 1   -9    8   12 o  218.680   8.7075  129.324   10.289   0.0000   0.0000  129.324   10.289  ?   ?   218.680   8.7075      ?      ? 
1 1 1   -9    8   13 o  573.191   10.380  889.375   32.132  869.594   44.556  910.811   46.382  566.568   14.553  579.813   14.804 -13.24463 20.75947 
1 1 1   -9    8   16 o  530.323   13.711  761.937   39.290   0.0000   0.0000  761.937   39.290  ?   ?   530.323   13.711      ?      ? 
1 1 1   -9    8   17 o  752.635   9.2948  1533.90   37.794  1512.28   52.784  1556.64   54.139  747.206   13.073  758.064   13.216 -10.85815 18.58959 
1 1 1   -9    8   18 f  138.220   4.9194   51.792   3.6644   48.632   5.2629   54.765   5.1052  134.114   7.2621  142.327   6.6380 -8.213379 9.838744 
1 1 1   -9    8   19 o  798.617   9.8274  1724.97   42.361  1675.18   58.249  1780.86   61.718  786.432   13.707  810.802   14.087 -24.36987 19.65475 
1 1 1   -9    8   20 o  317.205   4.9178  271.899   8.4272  263.696   11.783  280.487   12.057  312.310   6.9822  322.101   6.9273 -9.790985 9.835565 
1 1 1   -9    8   21 o  343.770   5.1376  319.138   9.5337  327.071   13.863  312.020   13.132  347.815   7.3759  339.724   7.1537 8.090515 10.27512 
1 1 1   -9    8   22 o  466.017   6.2494  587.235   15.737  581.541   22.176  593.013   22.336  463.741   8.8493  468.294   8.8266 -4.552673 12.49882 
1 1 1   -9    8   23 o  1076.97   13.006  3144.26   75.679  3113.45  106.089  3176.18  107.990  1071.62   18.321  1082.33   18.464 -10.71057 26.01118 
1 1 1   -9    8   24 f  406.684   5.7281  446.716   12.582  431.601   17.479  462.972   18.126  399.551   8.0956  413.816   8.1059 -14.26599 11.45619 
1 1 1   -9    8   25 f  532.176   6.9533  765.864   19.995  760.322   28.281  771.404   28.274  530.250   9.8702  534.103   9.7967 -3.853882 13.90667 
1 1 1   -9    8   26 o  916.714   11.163  2274.19   55.280  2239.49   77.039  2311.03   79.367  909.520   15.675  923.908   15.897 -14.38776 22.32564 
1 1 1   -9    8   27 o  899.685   10.984  2190.80   53.397  2170.58   74.980  2211.61   76.062  895.478   15.495  903.893   15.573 -8.415527 21.96857 
1 1 1   -9    8   28 o  342.663   7.4317  317.389   13.761   0.0000   0.0000  317.389   13.761  ?   ?   342.663   7.4317      ?      ? 
1 1 1   -9    8   29 o  861.133   10.546  2007.16   49.069  1987.86   68.843  2027.10   69.959  856.930   14.867  865.337   14.961 -8.406555 21.09209 
1 1 1   -9    8   30 o  770.920   9.5380  1608.17   39.731  1594.27   55.814  1622.44   56.569  767.547   13.457  774.293   13.520 -6.745911 19.07595 
1 1 1   -9    8   31 o  410.197   5.8929  454.926   13.061  448.659   18.475  461.187   18.467  407.371   8.3927  413.023   8.2744 -5.651917 11.78571 
1 1 1   -9    8   32 o  274.165   5.2461  203.203   7.7701  203.052   11.110  203.347   10.871  274.064   7.5021  274.266   7.3351 -0.2025757 10.49216 
1 1 1   -9    8   33 o  252.148   5.3053  171.770   7.2214  161.305   10.078  182.813   10.353  244.258   7.6356  260.039   7.3676 -15.78139 10.61056 
1 1 1   -9    8   34 o  270.287   5.4231  197.379   7.9110  200.309   11.511  194.757   10.890  272.182   7.8264  268.391   7.5091 3.790619 10.84619 
1 1 1   -9    8   35 o  165.441   6.6929   74.130   5.9749   70.327   8.5091   77.829   8.3918  161.244   9.7658  169.638   9.1547 -8.393600 13.38583 
1 1 1   -9    8   36 o  313.569   5.6320  265.893   9.5374  265.728   13.724  266.046   13.264  313.471   8.1019  313.668   7.8255 -0.1970215 11.26407 
1 1 1   -9    8   37 f  232.128   8.4622  145.727   10.615  145.727   10.615   0.0000   0.0000  232.128   8.4622  ?   ?       ?      ? 
1 1 1   -9    8   38 o  759.513   9.5232  1562.75   39.079  1540.50   54.688  1585.97   55.862  753.997   13.423  765.030   13.513 -11.03278 19.04645 
1 1 1   -9    8   39 o  136.628   8.3434   50.614   6.1445   55.088   8.7349   46.231   8.6451  142.625   11.334  130.631   12.247 11.99373 16.68674 
1 1 1   -9    8   40 o  189.674   6.6450   97.491   6.8015   94.387   9.7742  100.406   9.4706  186.732   9.6866  192.616   9.0991 -5.883560 13.29003 
1 1 1   -9    8   41 f  116.032   9.6567   36.246   6.0294   40.290   9.0276   32.990   8.1011  121.824   13.714  110.241   13.599 11.58278 19.31339 
1 1 1   -9    8   42 o  143.080   7.8670   55.668   6.0552   53.461   8.8902   57.577   8.2701  140.401   11.718  145.760   10.500 -5.358322 15.73405 
1 1 1   -9    8   43 o  391.420   6.0828  414.906   12.865  414.227   18.253  415.576   18.137  391.098   8.6369  391.741   8.5678 -0.6435547 12.16562 
1 1 1   -9    8   44 o  156.668   10.029   66.823   8.4838   66.847   12.239   66.802   11.770  156.671   14.457  156.665   13.904 0.6301880E-02 20.05775 
1 1 1   -9    8   45 o  235.350   7.9822  150.257   10.128  153.784   14.904  147.230   13.806  237.877   11.595  232.824   10.974 5.053146 15.96436 
1 1 1   -9    8   46 o  287.513   6.8962  225.905   10.349  230.386   13.116  218.514   16.846  291.502   8.3265  283.524   10.996 7.977753 13.79249 
1 1 1   -9    8   47 o  278.064   5.6779  209.183   8.5158  218.601   12.513  201.057   11.623  283.861   8.1577  272.267   7.8999 11.59421 11.35590 
1 1 1   -9    8   48 o  247.307   8.3080  165.942   11.036  173.581   16.685  160.000   14.715  252.250   12.241  242.364   11.236 9.886078 16.61591 
1 1 1   -9    8   49 o  239.945   8.4739  157.959   10.926  148.559   16.013  166.149   14.946  233.073   12.714  246.817   11.206 -13.74414 16.94775 
1 1 1   -9    8   50 o  465.306   8.3538  591.496   19.497  594.594   34.784  590.076   23.543  465.117   13.840  465.496   9.3597 -0.3793945 16.70754 
1 1 1   -9    8   51 o   66.876   13.104   12.808   5.2922   5.8260   7.7264   18.979   7.2636   52.536   19.867   81.216   17.092 -28.67968 26.20733 
1 1 1   -9    8   52 o  151.042   7.4830   63.344   5.9899   49.943   8.5586   76.209   8.3859  134.933   11.738  167.151   9.2844 -32.21858 14.96610 
1 1 1   -9    8   53 o  197.152   7.4925  104.045   7.7533   96.603   9.7187  117.072   12.859  187.953   9.5691  206.351   11.532 -18.39830 14.98505 
1 1 1   -9    8   54 o  276.790   7.3284  203.871   9.7734  224.369   19.071  196.570   11.382  285.038   12.382  268.541   7.8435 16.49710 14.65686 
1 1 1   -9    8   55 o   74.199   15.675   13.057   6.2708   25.833   12.368   8.6367   7.2752   91.687   24.498   56.711   19.561 34.97628 31.34930 
1 1 1   -9    8   56 o  129.982   8.0960   46.394   5.6640   51.577   8.4597   42.183   7.6253  136.504   11.469  123.459   11.430 13.04535 16.19208 
1 1 1   -9    8   57 o  108.399   9.8092   32.158   5.5996   44.135   8.6397   23.483   7.3530  125.685   12.721   91.113   14.935 34.57228 19.61830 
1 1 1   -9    8   58 o  187.722   6.5234   96.232   6.5773  104.226   9.9887   90.112   8.7394  194.438   9.5069  181.005   8.9351 13.43300 13.04671 
1 1 1   -9    8   59 o   78.209   13.069   18.095   5.4867   24.550   8.3363   13.161   7.2878   90.553   17.671   65.864   19.259 24.68999 26.13755 
1 1 1   -9    8   60 o   89.867   11.914   23.398   5.6266   28.886   8.6302   19.340   7.4205   99.879   15.990   79.855   17.665 20.02316 23.82734 
1 1 1   -9    8   61 o   75.773   12.508   16.814   5.5248   27.869   8.1851   7.5630   7.4878   98.131   15.436   53.416   19.686 44.71486 25.01579 
1 1 1   -9    8   62 o  204.061   6.5084  115.060   7.1547  122.912   10.639  108.577   9.6673  210.289   9.3626  197.832   9.0432 12.45755 13.01679 
1 1 1   -9    8   63 o  184.243   7.1461   95.233   7.0707   93.137   10.526   96.956   9.5448  182.000   10.703  186.486   9.4718 -4.485840 14.29212 
1 1 1   -9    8   64 o   65.411   14.223   14.113   6.1255   5.8089   9.2566   20.583   8.1703   51.201   20.979   79.622   19.211 -28.42089 28.44550 
1 1 1   -9    8   65 o  148.069   11.166   71.337   7.8006   48.266   13.257   83.556   9.6476  124.050   19.777  172.088   10.375 -48.03876 22.33268 
1 1 1   -9    8   66 o   73.922   15.995   17.354   7.1840   10.010   9.0839   29.617   11.739   56.880   21.534   90.964   23.658 -34.08396 31.99080 
1 1 1   -9    8   67 o   55.993   13.096   3.0725   6.3930   23.652   9.5557 -13.6022   8.6015   81.346   21.437   30.639   15.047 50.70708 26.19113 
1 1 1   -9    8   68 o  119.981   10.475   44.969   6.6808   43.557   10.244   46.014   8.8127  116.735   16.240  123.228   13.235 -6.492546 20.94999 
1 1 1   -9    9    2 o  720.242   8.9356  1404.01   34.775  1411.27   49.467  1396.91   48.897  722.080   12.678  718.404   12.596 3.676331 17.87123 
1 1 1   -9    9    3 o  572.826   7.3370  887.513   22.707  893.957   32.432  881.317   31.804  574.861   10.440  570.791   10.311 4.070129 14.67391 
1 1 1   -9    9    4 f  1134.66   13.659  3493.11   83.747  3504.97  118.908  3481.43  117.969  1136.56   19.361  1132.76   19.273 3.801514 27.31833 
1 1 1   -9    9    5 o  713.736   8.8857  1378.73   34.269  1367.01   48.174  1390.74   48.758  710.667   12.545  716.805   12.588 -6.138306 17.77138 
1 1 1   -9    9    9 o  493.934   8.0212  652.670   19.946  639.888   24.046  680.856   35.709  486.408   9.1488  501.461   13.178 -15.05334 16.04240 
1 1 1   -9    9   10 o  522.092   9.6326  738.172   27.176  736.036   38.402  740.315   38.463  521.335   13.632  522.850   13.614 -1.514954 19.26523 
1 1 1   -9    9   11 o  897.867   15.519  2191.54   75.295  2187.16  106.336  2195.95  106.631  896.969   21.939  898.764   21.956 -1.795044 31.03831 
1 1 1   -9    9   12 o  653.409   16.444  1157.66   58.061   0.0000   0.0000  1157.66   58.061  ?   ?   653.409   16.444      ?      ? 
1 1 1   -9    9   14 o  298.043   9.4582  240.315   15.233   0.0000   0.0000  240.315   15.233  ?   ?   298.043   9.4582      ?      ? 
1 1 1   -9    9   15 o  371.912   6.5430  371.448   12.412  366.031   15.166  382.432   21.598  367.912   7.6284  375.912   10.633 -8.000336 13.08605 
1 1 1   -9    9   16 o  965.591   11.725  2528.83   61.179  2522.89   86.393  2534.81   86.648  964.454   16.577  966.729   16.587 -2.274902 23.45042 
1 1 1   -9    9   17 o  439.495   6.0159  522.297   14.286  514.823   20.056  529.993   20.354  436.304   8.5069  442.686   8.5086 -6.381378 12.03177 
1 1 1   -9    9   18 o  1305.85   15.677  4636.95  110.620  4642.79  156.710  4631.15  156.171  1306.66   22.195  1305.04   22.146 1.620728 31.35331 
1 1 1   -9    9   19 o  604.958   7.7109  990.293   25.207  987.719   35.652  992.865   35.644  604.171   10.920  605.745   10.889 -1.574402 15.42175 
1 1 1   -9    9   20 o  692.276   8.6529  1296.93   32.367  1285.56   45.464  1308.61   46.089  689.202   12.208  695.349   12.266 -6.146301 17.30573 
1 1 1   -9    9   21 o  718.297   8.9336  1396.34   34.675  1389.43   48.914  1403.32   49.162  716.510   12.634  720.083   12.634 -3.572815 17.86712 
1 1 1   -9    9   22 o  620.267   7.8760  1040.34   26.391  1021.07   36.816  1060.72   37.851  614.362   11.090  626.171   11.187 -11.80859 15.75197 
1 1 1   -9    9   23 o  687.340   8.6043  1278.05   31.952  1289.08   45.695  1267.49   44.695  690.235   12.251  684.445   12.085 5.790161 17.20854 
1 1 1   -9    9   24 o  850.778   10.423  1959.28   47.917  1967.12   68.156  1951.61   67.380  852.455   14.796  849.101   14.685 3.354675 20.84650 
1 1 1   -9    9   25 o  1159.02   13.955  3640.73   87.397  3640.38  123.739  3641.07  123.457  1158.96   19.758  1159.08   19.711 -0.1186523 27.90924 
1 1 1   -9    9   26 o  905.413   11.042  2218.64   54.016  2192.73   75.630  2245.61   77.174  900.025   15.551  910.800   15.680 -10.77527 22.08401 
1 1 1   -9    9   27 o  1075.74   12.995  3134.62   75.527  3095.57  105.536  3175.62  108.132  1068.89   18.272  1082.59   18.484 -13.69775 25.99088 
1 1 1   -9    9   28 o  386.257   5.6806  403.383   11.851  401.209   16.986  405.446   16.544  385.239   8.1595  387.274   7.9056 -2.035492 11.36115 
1 1 1   -9    9   29 o  457.013   6.3426  564.131   15.655  545.811   21.723  583.926   22.581  449.302   8.9474  464.724   8.9921 -15.42154 12.68514 
1 1 1   -9    9   30 o  1259.31   15.134  4302.48  102.984  4288.54  145.333  4316.54  145.953  1257.26   21.392  1261.35   21.414 -4.093506 30.26805 
1 1 1   -9    9   31 o  578.419   7.5290  904.844   23.531  893.625   33.037  916.396   33.524  574.781   10.637  582.057   10.659 -7.275635 15.05803 
1 1 1   -9    9   32 o  852.574   10.491  1968.09   48.319  1937.08   67.383  2000.91   69.325  845.677   14.745  859.470   14.927 -13.79352 20.98192 
1 1 1   -9    9   33 o  104.161   9.2598   29.305   5.2054   31.283   7.5659   27.527   7.1728  107.492   13.026  100.830   13.165 6.662636 18.51958 
1 1 1   -9    9   34 o  180.989   6.6720   88.574   6.4969   88.859   9.6551   88.338   8.7828  181.247   9.8582  180.732   8.9931 0.5144958 13.34393 
1 1 1   -9    9   35 o  884.245   10.889  2115.23   51.957  2048.10   71.228  2191.57   75.957  869.322   15.163  899.167   15.633 -29.84534 21.77837 
1 1 1   -9    9   36 o  421.570   6.3686  479.655   14.492  455.241   19.962  506.863   21.073  410.252   9.0045  432.888   9.0087 -22.63556 12.73721 
1 1 1   -9    9   37 o  621.336   8.0896  1043.79   27.140  1010.78   37.493  1080.12   39.336  611.041   11.355  631.632   11.525 -20.59161 16.17919 
1 1 1   -9    9   38 o  648.646   8.3825  1139.67   29.381  1132.68   41.520  1146.69   41.582  646.649   11.882  650.644   11.827 -3.994690 16.76503 
1 1 1   -9    9   39 o  641.086   8.3105  1112.46   28.777  1083.19   39.981  1143.92   41.451  632.352   11.701  649.821   11.805 -17.46881 16.62090 
1 1 1   -9    9   40 o  734.169   9.2709  1461.59   36.767  1431.88   51.186  1493.27   52.847  726.481   13.039  741.858   13.183 -15.37756 18.54181 
1 1 1   -9    9   41 o  391.059   6.1341  413.945   12.957  416.726   18.605  411.326   18.057  392.325   8.7760  389.793   8.5726 2.531464 12.26816 
1 1 1   -9    9   42 o  123.510   8.7000   41.548   5.7849   38.117   8.2792   44.820   8.0863  118.481   12.932  128.538   11.642 -10.05682 17.40005 
1 1 1   -9    9   43 o  453.846   9.1459  559.339   22.419  541.441   31.137  578.604   32.305  446.320   12.911  461.372   12.958 -15.05243 18.29173 
1 1 1   -9    9   44 o  266.857   7.7091  193.074   11.099  178.288   15.400  209.054   16.010  256.215   11.123  277.499   10.677 -21.28375 15.41815 
1 1 1   -9    9   45 o  315.088   6.9885  268.471   11.441  265.813   14.300  273.198   19.073  313.126   8.4512  317.050   11.133 -3.924011 13.97702 
1 1 1   -9    9   46 o  229.187   5.9655  142.726   7.3756  137.070   10.600  148.036   10.270  224.745   8.7280  233.630   8.1346 -8.884445 11.93102 
1 1 1   -9    9   47 o  182.930   8.0391   90.562   7.6186   89.084   9.4736   93.266   12.818  181.039   9.6841  184.822   12.835 -3.783035 16.07814 
1 1 1   -9    9   48 o  210.915   9.1639  122.788   10.339  109.032   15.129  134.842   14.162  199.511   14.033  222.319   11.789 -22.80797 18.32777 
1 1 1   -9    9   49 f  242.393   8.7322  160.959   11.329  159.595   17.202  162.005   15.056  241.266   13.194  243.521   11.442 -2.254669 17.46444 
1 1 1   -9    9   50 o  300.687   5.7686  246.181   9.3503  240.126   13.607  251.599   12.871  297.103   8.4754  304.270   7.8280 -7.166840 11.53728 
1 1 1   -9    9   51 o   61.114   14.119   10.144   5.3495   11.301   7.9623   9.1913   7.2223   63.751   20.424   58.478   19.499 5.273354 28.23718 
1 1 1   -9    9   52 o  175.888   8.3816   84.040   7.6243   81.658   9.4382   88.513   12.935  172.755   10.111  179.021   13.371 -6.266708 16.76321 
1 1 1   -9    9   53 o  324.809   5.9052  286.165   10.319  304.730   15.497  271.377   13.830  334.131   8.5830  315.486   8.1128 18.64456 11.81034 
1 1 1   -9    9   54 o   49.926   14.530   3.4715   5.9833  -0.9360   11.488   5.1120   7.0089   50.530   22.111   49.322   18.857 1.208538 29.05939 
1 1 1   -9    9   55 o  129.569   8.1480   44.752   5.5974   58.380   8.9092   35.865   7.1946  145.319   11.346  113.819   11.698 31.49984 16.29601 
1 1 1   -9    9   56 o  162.395   7.0463   72.821   6.1390   70.924   9.1779   74.357   8.2583  160.273   10.597  164.516   9.2896 -4.242599 14.09256 
1 1 1   -9    9   57 o   56.161   14.145   7.9776   5.4859   11.581   8.1904   5.0455   7.3880   63.003   20.753   49.319   19.224 13.68406 28.28925 
1 1 1   -9    9   58 f  183.208   6.7063   92.529   6.6167   93.761   9.7942   91.494   8.9743  184.183   9.8408  182.234   9.1134 1.949036 13.41253 
1 1 1   -9    9   59 o  105.063   10.258   30.734   5.7510   38.037   8.9326   25.564   7.5159  115.542   14.307   94.584   14.705 20.95789 20.51690 
1 1 1   -9    9   60 o  152.643   7.7120   64.322   6.3161   72.643   9.6569   58.102   8.3497  161.068   11.095  144.218   10.714 16.84964 15.42404 
1 1 1   -9    9   61 o  167.228   7.2629   77.997   6.5101   77.575   9.8272   78.327   8.6905  166.488   10.923  167.968   9.5748 -1.479568 14.52579 
1 1 1   -9    9   62 o   47.663   13.791   3.4377   5.6959   7.1635   8.6015   0.5279   7.6013   53.551   20.779   41.776   18.137 11.77502 27.58132 
1 1 1   -9    9   63 o  130.453   9.3497   49.244   6.5200   48.301   9.8950   49.968   8.6678  128.683   14.230  132.223   12.132 -3.540222 18.69937 
1 1 1   -9    9   64 o   46.571   14.020   2.7061   6.1421   4.6780   9.3668   1.2187   8.1352   49.932   20.840   43.209   18.761 6.722561 28.04069 
1 1 1   -9    9   65 o  139.682   11.371   61.112   7.8228   49.392   13.259   67.370   9.6890  125.705   19.519  153.659   11.669 -27.95432 22.74121 
1 1 1   -9    9   66 o   34.069   11.929 -16.0787   7.0501  -8.5450   12.313 -19.7530   8.5991   40.687   19.505   27.451   13.741 13.23533 23.85863 
1 1 1   -9    9   67 o  178.718   9.0468   92.286   8.4603   85.937   10.578  103.559   14.094  172.004   11.381  185.432   14.066 -13.42705 18.09361 
1 1 1   -9    9   68 o   45.160   13.886   3.7667   6.3700   0.7138   10.158   5.7451   8.1776   43.495   19.774   46.825   19.502 -3.330036 27.77298 
1 1 1   -9   10    1 o  254.121   4.7268  174.574   6.4908  175.267   9.1826  173.882   9.1762  254.626   6.6738  253.617   6.6957 1.008514 9.453664 
1 1 1   -9   10    3 o  991.671   14.735  2672.00   74.530  2673.56   91.427  2668.92  128.681  992.978   17.039  990.365   24.045 2.613525 29.47052 
1 1 1   -9   10    4 o  230.721   5.5522  142.365   6.7104  137.799   8.4414  150.203   11.060  225.770   6.9193  235.671   8.6851 -9.901505 11.10443 
1 1 1   -9   10    5 o  154.169   6.4979   63.923   5.3871   55.676   7.3468   73.513   7.9227  143.469   9.4766  164.869   8.8930 -21.39970 12.99583 
1 1 1   -9   10    6 f  941.724   16.217  2411.34   82.506  2380.63  115.198  2443.69  118.222  935.609   22.786  947.839   23.082 -12.23029 32.43416 
1 1 1   -9   10    7 o  948.220   16.342  2445.91   83.733  2439.19  118.122  2452.70  118.714  946.918   23.085  949.523   23.137 -2.604797 32.68394 
1 1 1   -9   10    8 o  736.392   12.936  1469.65   51.425  1430.86   70.851  1512.84   74.759  726.177   18.056  746.606   18.530 -20.42908 25.87246 
1 1 1   -9   10    9 o  971.326   16.744  2565.87   87.816  2509.01  121.352  2628.38  127.237  960.129   23.390  982.524   23.965 -22.39557 33.48763 
1 1 1   -9   10   10 o  209.889   9.2354  119.167   10.475   0.0000   0.0000  119.167   10.475  ?   ?   209.889   9.2354      ?      ? 
1 1 1   -9   10   11 f  288.677   9.5064  225.450   14.829   0.0000   0.0000  225.450   14.829  ?   ?   288.677   9.5064      ?      ? 
1 1 1   -9   10   12 o  291.120   6.9043  228.958   10.853  219.414   15.009  239.414   15.712  284.773   9.7539  297.468   9.7745 -12.69489 13.80870 
1 1 1   -9   10   13 o  381.675   6.7485  395.318   13.270  398.153   16.480  390.090   22.378  383.704   7.9482  379.645   10.908 4.058868 13.49697 
1 1 1   -9   10   14 o  396.886   5.6603  425.809   12.137  417.225   16.970  434.797   17.365  392.794   7.9953  400.979   8.0144 -8.185364 11.32054 
1 1 1   -9   10   15 o  761.447   9.4299  1570.12   38.797  1579.04   55.278  1561.46   54.466  763.570   13.397  759.325   13.274 4.244385 18.85980 
1 1 1   -9   10   16 o  803.588   9.9046  1749.19   43.008  1752.26   61.012  1746.16   60.635  804.285   14.038  802.892   13.976 1.393311 19.80918 
1 1 1   -9   10   17 o  648.515   8.1881  1138.05   28.691  1124.27   40.227  1152.32   40.933  644.522   11.550  652.509   11.609 -7.986816 16.37621 
1 1 1   -9   10   18 o  936.919   11.410  2378.82   57.764  2364.87   81.323  2393.02   82.063  934.152   16.110  939.686   16.161 -5.534607 22.81961 
1 1 1   -9   10   20 o  130.299   7.9672   45.901   5.6097   0.0000   0.0000   45.901   5.6097  ?   ?   130.299   7.9672      ?      ? 
1 1 1   -9   10   21 o  240.031   4.8443  155.908   6.2706  144.108   8.8475  167.818   8.8887  230.891   7.0913  249.170   6.6017 -18.27963 9.688581 
1 1 1   -9   10   22 o  680.754   8.5640  1253.48   31.495  1266.51   45.139  1241.12   43.966  684.193   12.209  677.314   12.013 6.879517 17.12806 
1 1 1   -9   10   23 o  1080.05   13.044  3160.68   76.126  3156.15  107.599  3165.21  107.717  1079.27   18.450  1080.82   18.444 -1.548340 26.08749 
1 1 1   -9   10   24 o  747.401   9.3072  1511.21   37.585  1517.76   53.573  1504.86   52.744  748.989   13.237  745.812   13.087 3.177612 18.61433 
1 1 1   -9   10   25 o  510.027   6.8208  703.356   18.797  701.650   26.708  705.029   26.460  509.412   9.7025  510.642   9.5893 -1.229767 13.64163 
1 1 1   -9   10   26 o  1544.62   18.471  6483.58  154.163  6503.64  218.971  6463.87  217.079  1546.96   26.195  1542.28   26.048 4.686768 36.94122 
1 1 1   -9   10   27 o  1255.85   15.087  4276.34  102.350  4209.86  142.528  4347.12  147.068  1245.82   21.172  1265.89   21.500 -20.06958 30.17419 
1 1 1   -9   10   28 o  537.219   7.1053  779.973   20.619  762.170   28.700  798.963   29.642  530.890   10.005  543.549   10.092 -12.65887 14.21051 
1 1 1   -9   10   29 o  461.399   6.4316  575.571   16.034  564.744   22.565  586.612   22.788  457.015   9.1375  465.782   9.0537 -8.767548 12.86325 
1 1 1   -9   10   30 o  209.784   7.9095  118.981   8.9662  118.981   8.9662   0.0000   0.0000  209.784   7.9095  ?   ?       ?      ? 
1 1 1   -9   10   31 o  561.634   7.3994  853.322   22.455  853.771   31.914  852.883   31.601  561.777   10.513  561.491   10.415 0.2857056 14.79885 
1 1 1   -9   10   32 o  941.597   11.525  2402.19   58.625  2363.25   81.718  2443.49   84.153  933.756   16.196  949.438   16.403 -15.68250 23.05089 
1 1 1   -9   10   34 o  770.016   9.6620  1605.10   40.189  1573.43   55.955  1638.86   57.760  762.184   13.586  777.849   13.742 -15.66467 19.32394 
1 1 1   -9   10   35 o  182.222   7.0351   90.525   6.8720   82.275   10.066   97.727   9.4046  174.368   10.683  190.077   9.1564 -15.70903 14.07011 
1 1 1   -9   10   36 o  694.147   8.8601  1304.72   33.231  1288.49   46.628  1321.47   47.372  689.763   12.510  698.531   12.550 -8.767700 17.72027 
1 1 1   -9   10   37 o  461.626   6.6928  576.525   16.683  580.761   24.102  572.630   23.115  463.240   9.6285  460.012   9.2988 3.228516 13.38566 
1 1 1   -9   10   38 o  605.261   7.9760  990.757   26.066  958.093   35.992  1026.78   37.798  594.795   11.198  615.726   11.360 -20.93140 15.95193 
1 1 1   -9   10   39 f  424.105   6.3967  485.917   14.644  458.980   20.217  515.652   21.241  411.761   9.0860  436.449   9.0064 -24.68839 12.79341 
1 1 1   -9   10   40 o  277.405   8.2596  208.294   12.381   0.0000   0.0000  208.294   12.381  ?   ?   277.405   8.2596      ?      ? 
1 1 1   -9   10   41 o  343.882   5.9292  319.786   10.998  326.045   16.114  314.328   15.047  347.011   8.5935  340.754   8.1716 6.256897 11.85848 
1 1 1   -9   10   42 o  245.468   8.1397  164.219   10.751  150.586   15.447  177.027   14.973  235.484   12.140  255.453   10.847 -19.96909 16.27938 
1 1 1   -9   10   43 o  127.312   12.510   44.480   8.2222   58.221   12.272   33.288   11.075  146.072   15.548  108.553   19.603 37.51951 25.02004 
1 1 1   -9   10   44 o  365.608   7.2340  361.030   13.685  356.495   17.004  369.369   23.059  362.613   8.6778  368.604   11.577 -5.991608 14.46807 
1 1 1   -9   10   45 o  222.052   6.1139  133.754   7.3219  133.909   10.693  133.618   10.046  222.145   8.9082  221.959   8.3763 0.1861725 12.22776 
1 1 1   -9   10   46 o  159.404   7.2013   69.428   6.1519   59.007   8.6699   79.996   8.7305  147.224   10.898  171.584   9.4162 -24.35973 14.40255 
1 1 1   -9   10   47 o   89.608   16.870   23.318   8.2633   22.905   12.634   23.626   10.924   88.946   25.160   90.271   22.480 -1.324234 33.73959 
1 1 1   -9   10   48 o  459.527   9.5926  579.074   23.804  574.775   34.213  583.108   33.142  457.741   13.832  461.312   13.295 -3.571045 19.18528 
1 1 1   -9   10   49 o  199.899   8.3722  112.548   7.9286  102.613   15.151  116.295   9.3044  192.995   14.528  206.802   8.3262 -13.80623 16.74446 
1 1 1   -9   10   50 o   74.328   13.653   15.979   5.5187   17.081   8.1747   15.057   7.4807   76.601   19.653   72.054   18.957 4.546776 27.30576 
1 1 1   -9   10   51 o  153.423   9.0345   66.177   7.2411   71.240   9.3590   58.626   11.429  161.309   10.737  145.538   14.533 15.77019 18.06904 
1 1 1   -9   10   52 o   84.408   14.674   20.233   6.5793   16.106   8.4293   26.667   10.525   73.946   20.422   94.870   21.078 -20.92356 29.34829 
1 1 1   -9   10   53 o  211.088   7.9102  120.643   7.9447  126.779   15.635  118.507   9.2244  213.767   13.535  208.410   8.1909 5.357483 15.82043 
1 1 1   -9   10   54 o  193.988   6.4896  103.561   6.7092  100.351   10.289  105.937   8.8493  191.117   9.9628  196.859   8.3189 -5.742004 12.97929 
1 1 1   -9   10   55 f  278.610   5.8762  213.173   8.8087  202.591   12.863  222.518   12.088  271.880   8.7554  285.339   7.8397 -13.45920 11.75236 
1 1 1   -9   10   56 o  107.014   9.8303   32.286   5.6241   31.745   8.5489   32.700   7.4677  105.891   14.940  108.137   12.780 -2.245636 19.66065 
1 1 1   -9   10   57 o   91.782   11.868   24.485   5.6657   25.009   8.8450   24.119   7.3780   91.345   18.553   92.218   14.806 -0.8728256 23.73633 
1 1 1   -9   10   58 o  180.379   9.3041   89.852   9.0688   0.0000   0.0000   89.852   9.0688  ?   ?   180.379   9.3041      ?      ? 
1 1 1   -9   10   59 o   59.308   14.053   10.134   5.6834   4.2394   8.6280   14.653   7.5538   49.707   20.297   68.909   19.441 -19.20159 28.10581 
1 1 1   -9   10   60 o  289.930   6.0248  232.524   9.4158  222.252   13.593  241.999   13.055  283.501   8.8732  296.358   8.1521 -12.85645 12.04952 
1 1 1   -9   10   61 o   64.879   14.412   12.711   5.6918   16.975   8.5913   9.3746   7.5985   72.960   20.786   56.799   19.969 16.16124 28.82351 
1 1 1   -9   10   62 o  141.064   8.4965   56.061   6.4360   60.619   9.7836   52.583   8.5453  145.845   12.414  136.282   11.604 9.562744 16.99301 
1 1 1   -9   10   63 o   83.131   14.043   22.422   6.1752   24.374   9.4454   20.966   8.1609   85.779   20.630   80.484   19.059 5.294846 28.08636 
1 1 1   -9   10   64 o  118.151   12.200   45.255   6.8944   25.424   10.013   63.132   9.5070   87.671   21.338  148.632   11.837 -60.96095 24.40098 
1 1 1   -9   10   65 o   46.392   13.998   2.9271   6.1768   5.2005   9.2693   1.1114   8.2840   49.866   20.765   42.917   18.777 6.948963 27.99600 
1 1 1   -9   10   66 o  108.929   14.115   36.317   7.7332   54.324   14.039   28.473   9.2655  126.209   20.586   91.649   19.318 34.55988 28.23072 
1 1 1   -9   10   67 o   49.261   15.040   5.0827   7.2316   2.9665   9.5100   7.9842   11.135   45.518   20.012   53.003   22.456 -7.485786 30.07930 
1 1 1   -9   11    1 o  150.684   6.3938   61.373   5.2043   63.311   7.4746   59.550   7.2505  152.991   9.0413  148.377   9.0430 4.614182 12.78751 
1 1 1   -9   11    2 o  191.808   6.2627   99.451   6.4889  103.018   9.2934   96.059   9.0642  195.162   8.8123  188.453   8.9010 6.709473 12.52534 
1 1 1   -9   11    3 o  608.330   10.924  1003.15   35.908  1001.58   50.730  1004.73   50.833  607.852   15.445  608.807   15.452 -0.9551392 21.84711 
1 1 1   -9   11    4 o  466.827   8.8450  590.090   22.312  589.865   31.554  590.315   31.554  466.738   12.511  466.916   12.506 -0.1785583 17.68999 
1 1 1   -9   11    5 o  710.575   17.718  1370.27   68.030  1370.27   68.030   0.0000   0.0000  710.575   17.718  ?   ?       ?      ? 
1 1 1   -9   11    6 o  901.296   13.399  2229.75   62.708  2118.02  102.805  2295.95   79.135  882.438   21.560  920.153   15.915 -37.71545 26.79787 
1 1 1   -9   11    7 o  311.250   5.0398  261.691   8.4723  252.663   11.776  271.380   12.199  305.689   7.1287  316.810   7.1259 -11.12027 10.07957 
1 1 1   -9   11    8 o  885.549   13.436  2094.47   59.153  2220.95  108.711  2041.27   70.504  903.345   22.271  867.753   15.036 35.59167 26.87112 
1 1 1   -9   11    9 o  783.035   13.735  1665.26   58.105  1641.22   81.154  1690.54   83.230  777.261   19.322  788.809   19.526 -11.54755 27.47052 
1 1 1   -9   11   10 o  522.384   9.7649  739.271   27.564  734.009   38.869  744.594   39.093  520.513   13.819  524.255   13.800 -3.741882 19.52976 
1 1 1   -9   11   11 o  164.872   6.1404   72.227   5.2455   69.177   6.4854   77.995   8.9200  159.950   7.5035  169.795   9.7219 -9.844742 12.28084 
1 1 1   -9   11   12 o  532.731   6.9871  767.780   20.113  768.331   28.566  767.237   28.324  532.918   9.9198  532.544   9.8426 0.3742065 13.97423 
1 1 1   -9   11   13 o  1208.94   14.563  3970.63   95.128  3990.11  135.290  3951.58  133.786  1211.85   20.660  1206.03   20.529 5.823486 29.12510 
1 1 1   -9   11   14 o  421.616   5.9412  480.714   13.534  480.862   19.274  480.569   19.010  421.677   8.4586  421.554   8.3453 0.1234436 11.88242 
1 1 1   -9   11   15 o  620.257   7.9110  1041.02   26.514  1033.88   37.361  1048.26   37.634  618.116   11.186  622.398   11.190 -4.282471 15.82191 
1 1 1   -9   11   16 o  267.212   4.9080  193.029   7.0814  192.863   10.214  193.183   9.8263  267.099   7.0768  267.326   6.8024 -0.2269287 9.816020 
1 1 1   -9   11   17 o  710.044   8.8859  1364.28   34.091  1350.92   47.844  1378.07   48.589  706.515   12.532  713.573   12.601 -7.057922 17.77187 
1 1 1   -9   11   18 o  373.552   5.5828  377.279   11.267  376.096   16.073  378.421   15.799  372.974   7.9750  374.129   7.8146 -1.155731 11.16551 
1 1 1   -9   11   19 o  431.961   6.0831  504.480   14.198  497.068   20.005  512.004   20.155  428.763   8.6342  435.159   8.5713 -6.396576 12.16620 
1 1 1   -9   11   20 o  582.536   7.5423  916.077   23.714  882.714   32.586  953.641   34.576  571.288   10.556  593.784   10.776 -22.49536 15.08456 
1 1 1   -9   11   21 o  781.481   9.6851  1652.66   40.898  1643.29   57.670  1662.14   58.009  779.253   13.696  783.709   13.698 -4.456116 19.37014 
1 1 1   -9   11   22 o  706.891   8.8681  1350.86   33.853  1376.37   48.911  1327.40   46.904  713.283   12.690  700.500   12.391 12.78363 17.73614 
1 1 1   -9   11   23 o  1199.02   14.437  3896.65   93.536  3914.95  133.106  3878.79  131.468  1201.78   20.497  1196.25   20.338 5.531860 28.87481 
1 1 1   -9   11   24 o  352.645   5.5228  336.300   10.516  332.431   15.126  339.919   14.629  350.677   7.9825  354.612   7.6345 -3.935211 11.04564 
1 1 1   -9   11   25 o  240.382   5.1852  156.511   6.7174  150.969   9.7561  161.507   9.2628  236.323   7.6398  244.441   7.0126 -8.118530 10.37031 
1 1 1   -9   11   26 o  529.869   7.0451  758.641   20.164  737.766   28.037  781.005   29.020  522.326   9.9334  537.412   9.9930 -15.08533 14.09021 
1 1 1   -9   11   27 o  553.538   7.2935  828.572   21.815  819.783   30.700  837.538   31.005  550.573   10.319  556.503   10.310 -5.930725 14.58703 
1 1 1   -9   11   28 o  617.608   7.9720  1031.84   26.604  1030.58   37.835  1033.07   37.415  617.232   11.344  617.985   11.204 -0.7537231 15.94405 
1 1 1   -9   11   29 o  385.855   8.3023  402.551   17.310   0.0000   0.0000  402.551   17.310  ?   ?   385.855   8.3023      ?      ? 
1 1 1   -9   11   30 o  617.440   7.9896  1030.61   26.641  1003.96   36.916  1059.58   38.486  609.124   11.216  625.755   11.382 -16.63129 15.97922 
1 1 1   -9   11   31 o  298.289   5.6892  240.687   9.1662  234.092   13.018  247.171   12.908  294.231   8.1880  302.347   7.9008 -8.116486 11.37832 
1 1 1   -9   11   33 o  810.344   10.103  1778.84   44.238  1760.02   62.127  1798.19   63.005  806.002   14.265  814.687   14.312 -8.684814 20.20657 
1 1 1   -9   11   34 o  921.413   11.342  2301.26   56.461  2268.00   78.934  2336.11   80.795  914.611   15.971  928.215   16.108 -13.60327 22.68377 
1 1 1   -9   11   35 o  448.858   6.6138  544.964   16.039  531.420   22.522  558.900   22.846  443.197   9.4043  454.519   9.3021 -11.32132 13.22763 
1 1 1   -9   11   36 o  684.042   8.7767  1267.14   32.433  1240.26   45.249  1295.54   46.512  676.592   12.376  691.493   12.448 -14.90094 17.55343 
1 1 1   -9   11   37 o  439.736   6.6020  523.320   15.685  510.625   22.135  536.122   22.228  434.372   9.4302  445.099   9.2420 -10.72699 13.20392 
1 1 1   -9   11   38 o  768.233   9.6639  1601.34   40.115  1582.65   56.335  1620.57   57.134  763.690   13.651  772.776   13.682 -9.085327 19.32774 
1 1 1   -9   11   39 o  602.176   7.9539  982.966   25.881  970.143   36.471  995.975   36.732  598.214   11.282  606.138   11.215 -7.924316 15.90790 
1 1 1   -9   11   40 o  435.533   6.5166  513.940   15.328  507.547   21.960  520.014   21.406  432.871   9.3884  438.195   9.0401 -5.324402 13.03324 
1 1 1   -9   11   41 o  371.952   8.4518  374.772   16.966  350.901   23.422  401.126   24.610  359.502   12.057  384.402   11.848 -24.90027 16.90366 
1 1 1   -9   11   42 o  454.040   9.2246  560.817   22.624  560.586   32.447  561.036   31.561  453.905   13.229  454.175   12.860 -0.2698364 18.44923 
1 1 1   -9   11   43 f  263.425   7.0433  189.687   9.7920  195.018   12.663  181.757   15.443  268.199   8.7374  258.652   11.049 9.546997 14.08661 
1 1 1   -9   11   44 o  567.796   7.6433  875.964   23.445  855.484   32.704  897.615   33.626  560.979   10.789  574.613   10.830 -13.63409 15.28656 
1 1 1   -9   11   45 o  216.387   6.2193  126.071   7.2224  135.880   11.013  118.669   9.5670  223.672   9.1119  209.102   8.4671 14.57059 12.43857 
1 1 1   -9   11   46 o   61.796   17.171   6.5137   8.2680   7.9414   12.987   5.5405   10.722   65.417   25.491   58.175   23.012 7.242371 34.34196 
1 1 1   -9   11   47 o  314.256   8.7112  269.963   14.770  269.369   21.476  270.496   20.346  313.826   12.664  314.686   11.965 -0.8607483 17.42244 
1 1 1   -9   11   48 o  282.667   8.6996  218.969   13.268  216.396   19.230  221.306   18.330  280.967   12.666  284.368   11.929 -3.400421 17.39921 
1 1 1   -9   11   49 o  274.028   5.7069  203.719   8.4168  209.232   12.544  199.205   11.351  277.326   8.3708  270.730   7.7592 6.596100 11.41383 
1 1 1   -9   11   50 o  100.573   13.271   29.544   6.8082   31.782   8.7240   26.059   10.888  107.125   15.071   94.020   21.847 13.10486 26.54127 
1 1 1   -9   11   51 o  118.884   11.866   41.501   7.0611   46.430   9.1141   34.099   11.168  129.657   13.009  108.112   19.848 21.54447 23.73100 
1 1 1   -9   11   52 o  188.060   8.7489  102.830   7.7773   86.396   14.533  109.426   9.2065  175.906   15.289  200.214   8.5097 -24.30774 17.49785 
1 1 1   -9   11   53 o  318.472   5.9631  277.188   10.239  276.788   14.981  277.539   14.026  318.134   8.7148  318.810   8.1417 -0.6759644 11.92625 
1 1 1   -9   11   54 o  196.364   6.6958  107.541   6.9904   90.597   10.237  122.347   9.5689  181.296   10.449  211.431   8.3754 -30.13528 13.39157 
1 1 1   -9   11   55 f  171.987   7.1082   81.971   6.5113   78.925   9.9832   84.225   8.5898  168.874   10.940  175.100   9.0784 -6.226166 14.21632 
1 1 1   -9   11   56 o  115.437   9.5687   36.674   5.9044   44.371   9.1379   31.157   7.7361  125.638   13.460  105.236   13.604 20.40206 19.13739 
1 1 1   -9   11   57 o  125.857   8.8532   44.470   5.9118   44.252   9.2548   44.621   7.6839  125.143   13.686  126.572   11.235 -1.428825 17.70645 
1 1 1   -9   11   58 o   52.984   13.698   5.1074   5.4516   13.493   8.6152  -0.4932   7.0405   66.436   21.240   39.531   17.303 26.90522 27.39605 
1 1 1   -9   11   59 o   41.338   12.874  -0.5913   5.5188  -0.7902   8.5892  -0.4514   7.2023   42.829   18.916   39.847   17.469 2.981747 25.74866 
1 1 1   -9   11   60 o   70.797   12.052   15.471   5.8070  -0.5856   8.8472   27.625   7.6972   43.594   19.229   98.001   14.535 -54.40703 24.10402 
1 1 1   -9   11   61 o  203.038   6.7096  114.150   7.3110  121.197   11.126  108.795   9.6987  208.249   9.8873  197.826   9.0728 10.42293 13.41920 
1 1 1   -9   11   62 o   66.834   15.057   14.461   6.1224   16.843   9.1173   12.505   8.2625   71.161   21.722   62.507   20.857 8.654648 30.11400 
1 1 1   -9   11   63 o   67.119   22.324   15.029   9.4684   15.029   9.4684   0.0000   0.0000   67.119   22.324  ?   ?       ?      ? 
1 1 1   -9   11   64 o  170.907   8.0376   82.965   7.3958   85.715   11.003   80.698   9.9887  173.177   11.758  168.638   10.961 4.539520 16.07512 
1 1 1   -9   11   65 o   48.276   13.968   5.0438   6.2748  -2.1097   9.2644   11.107   8.5291   40.025   18.452   56.528   20.975 -16.50281 27.93656 
1 1 1   -9   11   66 o   65.075   15.620   15.002   6.5037   16.826   9.9415   13.636   8.5991   67.736   22.877   62.414   21.275 5.321747 31.24093 
1 1 1   -9   11   67 f   72.083   16.954   21.100   7.4308   22.725   13.802   20.436   8.8177   70.369   26.567   73.797   21.069 -3.428284 33.90755 
1 1 1   -9   12    2 o  263.873   4.9660  187.999   7.0731  193.470   10.300  183.116   9.7304  267.499   7.1254  260.247   6.9192 7.251129 9.932087 
1 1 1   -9   12    3 o  725.901   9.1150  1426.81   35.748  1438.30   51.109  1415.80   50.019  728.751   12.979  723.052   12.802 5.698303 18.23009 
1 1 1   -9   12    4 o  754.974   9.3996  1543.65   38.344  1530.50   53.857  1557.18   54.605  751.717   13.259  758.231   13.327 -6.514160 18.79915 
1 1 1   -9   12    5 o  673.809   10.543  1217.85   35.541  1263.74   64.274  1197.64   42.655  682.480   17.428  665.138   11.868 17.34277 21.08548 
1 1 1   -9   12    6 o  730.156   12.954  1446.45   51.091  1467.12   73.397  1427.03   71.162  735.185   18.475  725.127   18.161 10.05780 25.90706 
1 1 1   -9   12    7 o  629.380   11.412  1072.35   38.760  1104.73   56.567  1043.69   53.216  638.287   16.401  620.474   15.872 17.81226 22.82330 
1 1 1   -9   12    8 o  318.856   7.5547  275.019   13.008  277.477   18.770  272.748   18.045  320.219   10.848  317.493   10.518 2.726074 15.10941 
1 1 1   -9   12    9 o  569.081   9.0937  868.872   26.126  854.770   31.601  899.324   46.438  562.065   10.405  576.096   14.917 -14.03094 18.18737 
1 1 1   -9   12   10 o  148.016   5.5335   59.401   4.4138   55.792   6.3418   62.793   6.1468  143.637   8.1707  152.394   7.4643 -8.756668 11.06691 
1 1 1   -9   12   11 o  468.904   6.4030  594.098   16.215  577.760   22.474  611.836   23.417  462.189   8.9986  475.618   9.1115 -13.42865 12.80602 
1 1 1   -9   12   12 o  202.291   5.0502  110.624   5.5200  112.518   7.8395  108.761   7.7738  204.009   7.1114  200.573   7.1725 3.435776 10.10035 
1 1 1   -9   12   13 o  345.807   5.4165  323.118   10.114  327.916   14.636  318.733   13.991  348.259   7.7773  343.355   7.5411 4.903748 10.83302 
1 1 1   -9   12   14 o  457.606   6.3343  565.987   15.659  552.903   21.858  579.781   22.444  452.176   8.9458  463.035   8.9703 -10.85922 12.66861 
1 1 1   -9   12   15 o  536.098   7.1101  777.245   20.596  767.690   28.959  787.026   29.299  532.764   10.059  539.433   10.051 -6.668335 14.22028 
1 1 1   -9   12   16 o  120.743   6.8544   40.826   4.2920   28.516   6.2079   52.098   5.9405  102.668   11.190  138.818   7.9194 -36.14928 13.70871 
1 1 1   -9   12   17 o  1140.37   13.763  3525.75   84.795  3483.96  118.510  3569.58  121.379  1133.47   19.349  1147.27   19.579 -13.79419 27.52664 
1 1 1   -9   12   18 o  653.231   8.3378  1153.59   29.420  1127.44   40.906  1181.62   42.342  645.570   11.726  660.891   11.857 -15.32098 16.67568 
1 1 1   -9   12   19 o  255.780   5.1154  176.794   7.0515  177.482   10.366  176.201   9.6203  256.239   7.4866  255.321   6.9729 0.9181519 10.23089 
1 1 1   -9   12   20 o  212.289   5.1770  121.952   5.9317  117.825   8.5001  125.868   8.2815  208.782   7.5343  215.796   7.1020 -7.013916 10.35395 
1 1 1   -9   12   21 o  321.642   5.3664  279.670   9.3237  270.233   13.151  289.207   13.220  316.185   7.6973  327.100   7.4796 -10.91577 10.73277 
1 1 1   -9   12   22 o  723.408   9.0676  1415.19   35.436  1390.55   49.399  1441.32   50.860  716.928   12.751  729.888   12.895 -12.95966 18.13521 
1 1 1   -9   12   23 o  190.620   7.7586   98.224   7.9917   0.0000   0.0000   98.224   7.9917  ?   ?   190.620   7.7586      ?      ? 
1 1 1   -9   12   24 o  670.676   8.5135  1216.68   30.849  1225.56   44.093  1208.16   43.175  673.068   12.123  668.284   11.956 4.783325 17.02705 
1 1 1   -9   12   25 f  765.656   9.5429  1586.32   39.481  1572.29   55.534  1600.66   56.139  762.234   13.483  769.077   13.508 -6.843567 19.08582 
1 1 1   -9   12   26 o  463.056   6.5174  579.453   16.303  566.563   22.716  593.144   23.412  457.750   9.1835  468.363   9.2504 -10.61227 13.03481 
1 1 1   -9   12   27 o  238.216   7.6257  153.409   9.8161   0.0000   0.0000  153.409   9.8161  ?   ?   238.216   7.6257      ?      ? 
1 1 1   -9   12   28 o  362.294   5.8497  354.913   11.445  339.269   16.102  370.889   16.272  354.220   8.4123  370.368   8.1306 -16.14865 11.69932 
1 1 1   -9   12   29 o  408.639   6.1569  451.336   13.585  457.686   19.649  445.522   18.804  411.385   8.8392  405.893   8.5732 5.492218 12.31388 
1 1 1   -9   12   30 o  514.157   7.0695  715.059   19.640  704.389   27.674  725.887   27.879  510.290   10.036  518.024   9.9594 -7.733307 14.13909 
1 1 1   -9   12   31 o  756.144   9.5272  1548.10   38.926  1532.56   54.713  1564.04   55.391  752.303   13.459  759.986   13.488 -7.682312 19.05438 
1 1 1   -9   12   32 o  410.750   6.4012  455.978   14.196  430.531   19.795  482.924   20.370  398.954   9.1823  422.546   8.9213 -23.59216 12.80246 
1 1 1   -9   12   33 o  127.189   9.6410   44.271   6.5560   39.452   9.6418   48.414   8.9409  120.658   14.788  133.721   12.374 -13.06305 19.28204 
1 1 1   -9   12   34 o  499.704   7.0436  675.318   19.013  653.321   26.540  698.509   27.251  491.347   9.9959  508.060   9.9263 -16.71371 14.08716 
1 1 1   -9   12   35 o  825.222   10.303  1845.96   45.927  1807.27   63.934  1887.21   66.018  816.310   14.494  834.134   14.647 -17.82410 20.60583 
1 1 1   -9   12   36 o  164.775   7.8941   73.629   6.9882   72.578   10.420   74.488   9.4212  163.683   11.780  165.867   10.511 -2.184311 15.78810 
1 1 1   -9   12   37 o  498.097   7.0077  671.232   18.852  646.485   26.199  697.805   27.149  488.584   9.9232  507.610   9.8977 -19.02545 14.01550 
1 1 1   -9   12   38 o  393.364   6.2532  419.119   13.280  414.313   19.128  423.591   18.452  391.167   9.0493  395.561   8.6326 -4.394012 12.50642 
1 1 1   -9   12   39 o  236.686   7.4704  154.079   9.0121  144.955   15.339  158.889   11.137  231.122   12.282  242.250   8.5078 -11.12749 14.94079 
1 1 1   -9   12   40 o  382.935   8.5567  397.733   17.684  370.496   24.611  426.802   25.426  369.361   12.331  396.510   11.867 -27.14941 17.11345 
1 1 1   -9   12   41 f  165.766   9.9769   73.857   8.8250   80.856   13.833   69.054   11.460  172.229   14.863  159.303   13.313 12.92622 19.95382 
1 1 1   -9   12   42 o  214.815   6.5510  125.670   7.5700  118.109   11.025  132.414   10.412  208.630   9.7796  221.001   8.7189 -12.37064 13.10191 
1 1 1   -9   12   43 o  492.055   6.9532  657.064   18.482  634.382   25.804  680.955   26.483  483.329   9.8800  500.780   9.7865 -17.45114 13.90647 
1 1 1   -9   12   44 o  488.565   6.9251  648.852   18.281  641.106   25.921  656.517   25.785  485.638   9.8776  491.491   9.7088 -5.852875 13.85020 
1 1 1   -9   12   45 o   43.440   14.365 -11.4570   8.4281 -14.5766   11.941  -8.3604   11.897   41.231   19.611   45.650   20.996 -4.418777 28.72998 
1 1 1   -9   12   46 o  355.553   8.8363  344.790   16.946  316.892   23.419  375.450   24.551  340.412   12.732  370.694   12.257 -30.28278 17.67264 
1 1 1   -9   12   47 o  261.935   8.8690  187.976   12.551  183.671   17.711  192.320   17.790  258.888   12.660  264.982   12.424 -6.094055 17.73807 
1 1 1   -9   12   48 o  214.815   6.3807  125.527   7.3547  126.828   11.102  124.509   9.8182  215.709   9.5244  213.920   8.4936 1.788986 12.76147 
1 1 1   -9   12   49 o  150.064   7.6641   61.894   6.1851   56.639   8.9093   66.782   8.5933  143.777   11.468  156.353   10.171 -12.57607 15.32823 
1 1 1   -9   12   50 o   45.481   14.189  -1.9424   6.6361  -2.6829   8.4561  -0.7552   10.707   41.635   18.557   49.326   21.470 -7.691139 28.37862 
1 1 1   -9   12   51 o  111.363   13.642   37.892   6.8668   31.486   13.230   40.254   8.0338  101.942   24.350  120.783   12.309 -18.84031 27.28468 
1 1 1   -9   12   52 o   93.361   14.632   26.750   6.6995   22.383   12.626   28.461   7.9039   85.717   25.429  101.005   14.481 -15.28883 29.26318 
1 1 1   -9   12   53 o  412.415   6.4336  464.662   14.279  485.406   21.350  447.872   19.208  420.509   9.3956  404.321   8.7915 16.18845 12.86730 
1 1 1   -9   12   54 o   81.368   13.627   19.595   5.8376   21.802   9.0753   18.038   7.6241   85.003   20.078   77.734   18.431 7.269157 27.25462 
1 1 1   -9   12   55 o  100.005   11.064   27.926   5.7676   35.115   9.1057   23.109   7.4533  111.210   15.153   88.799   16.127 22.41045 22.12858 
1 1 1   -9   12   56 o  133.722   8.6002   50.802   6.0485   45.853   9.4222   54.271   7.8885  127.497   13.676  139.948   10.431 -12.45091 17.20031 
1 1 1   -9   12   57 o  132.972   8.5304   49.275   6.0496   51.680   9.4268   47.590   7.8883  135.365   12.888  130.579   11.179 4.785995 17.06074 
1 1 1   -9   12   58 o   56.060   14.433   8.4927   5.6038   9.4682   8.6991   7.8008   7.3264   58.363   21.262   53.757   19.523 4.606071 28.86583 
1 1 1   -9   12   59 o  189.590   6.8976  100.282   6.9781   96.981   10.638  102.776   9.2452  186.389   10.562  192.790   8.8745 -6.400558 13.79514 
1 1 1   -9   12   60 o   74.030   13.622   15.634   5.8181   27.798   9.3094   7.8380   7.4529   94.599   18.873   53.460   19.649 41.13868 27.24491 
1 1 1   -9   12   61 o   71.479   14.927   16.639   6.1689   15.714   9.1396   17.412   8.3607   69.474   21.840   73.485   20.356 -4.010780 29.85495 
1 1 1   -9   12   62 o  178.263   7.8479   91.999   7.4231   77.733   10.919  104.260   10.122  164.132   12.311  192.393   9.7363 -28.26102 15.69580 
1 1 1   -9   12   63 o  188.333   7.6613  100.409   7.7803  100.479   11.372  100.347   10.668  188.111   11.188  188.556   10.470 -0.4457703 15.32255 
1 1 1   -9   12   64 o  119.639   10.823   44.197   6.8905   37.546   9.9567   50.310   9.5456  109.443   16.836  129.835   13.606 -20.39127 21.64651 
1 1 1   -9   12   65 o  114.822   11.298   41.176   6.9395   38.251   10.251   43.651   9.4283  109.762   17.284  119.881   14.554 -10.11926 22.59544 
1 1 1   -9   12   66 o  164.509   8.4829   81.313   7.4352   74.276   11.111   87.019   10.005  156.478   13.141  172.540   10.731 -16.06248 16.96584 
1 1 1   -9   13    1 o  533.562   7.0959  770.182   20.459  767.550   28.920  772.820   28.946  532.648   10.048  534.475   10.023 -1.827087 14.19183 
1 1 1   -9   13    2 o  670.121   10.505  1218.32   35.762  1212.16   62.195  1221.36   43.711  668.527   17.217  671.715   12.043 -3.187683 21.01045 
1 1 1   -9   13    3 o  586.911   10.930  933.524   34.662  936.486   49.310  930.630   48.733  587.823   15.524  585.998   15.390 1.825073 21.85963 
1 1 1   -9   13    4 o  552.827   10.423  827.899   31.128  833.784   44.575  822.297   43.489  554.731   14.870  550.924   14.608 3.807007 20.84532 
1 1 1   -9   13    5 o  730.284   13.007  1445.80   51.287  1478.38   74.338  1416.22   70.850  738.085   18.639  722.484   18.148 15.60138 26.01433 
1 1 1   -9   13    6 o  449.107   7.7268  544.509   17.691  541.994   21.658  549.549   30.666  447.663   8.9532  450.552   12.596 -2.888672 15.45370 
1 1 1   -9   13    7 o  362.254   5.6095  354.870   10.979  347.476   15.532  362.254   15.521  358.479   8.0181  366.029   7.8470 -7.549408 11.21897 
1 1 1   -9   13    8 o  541.986   7.1948  794.619   21.071  788.665   29.768  800.598   29.830  539.950   10.203  544.022   10.147 -4.072937 14.38970 
1 1 1   -9   13    9 o  896.286   11.008  2175.73   53.305  2146.30   74.502  2206.59   76.300  890.091   15.490  902.481   15.646 -12.38995 22.01653 
1 1 1   -9   13   10 o  1090.22   13.212  3222.09   77.806  3172.70  108.353  3274.67  111.796  1081.63   18.539  1098.81   18.828 -17.18091 26.42326 
1 1 1   -9   13   11 o  653.280   8.3209  1154.43   29.368  1137.96   41.065  1171.67   42.018  648.516   11.718  658.044   11.816 -9.528076 16.64179 
1 1 1   -9   13   12 o  442.411   6.2352  529.207   14.904  531.575   21.274  526.924   20.886  443.380   8.8796  441.441   8.7559 1.939148 12.47049 
1 1 1   -9   13   13 f  344.619   7.6831  321.068   14.307   0.0000   0.0000  321.068   14.307  ?   ?   344.619   7.6831      ?      ? 
1 1 1   -9   13   14 o  443.083   6.2485  530.566   14.957  515.811   20.893  546.075   21.421  436.767   8.8525  449.398   8.8210 -12.63187 12.49708 
1 1 1   -9   13   15 o  749.869   9.3781  1521.70   38.000  1512.52   53.591  1530.98   53.891  747.593   13.266  752.144   13.259 -4.551025 18.75626 
1 1 1   -9   13   16 o  1101.41   13.329  3287.72   79.327  3281.45  112.058  3294.01  112.312  1100.35   18.846  1102.46   18.853 -2.102173 26.65718 
1 1 1   -9   13   17 f  349.740   5.5803  330.744   10.542  326.296   15.044  335.036   14.779  347.426   8.0131  352.054   7.7685 -4.628021 11.16061 
1 1 1   -9   13   19 o  659.594   8.4198  1176.71   30.009  1165.47   42.283  1188.13   42.597  656.418   11.921  662.770   11.894 -6.351685 16.83962 
1 1 1   -9   13   21 o  291.617   5.3107  229.725   8.3581  232.775   12.163  226.997   11.505  293.446   7.6706  289.788   7.3469 3.658844 10.62144 
1 1 1   -9   13   22 o  226.725   7.3190  138.950   8.9668   0.0000   0.0000  138.950   8.9668  ?   ?   226.725   7.3190      ?      ? 
1 1 1   -9   13   23 o  604.262   7.8607  986.694   25.652  961.417   35.553  1014.14   37.049  596.202   11.036  612.322   11.197 -16.12024 15.72141 
1 1 1   -9   13   24 o   82.476   11.464   19.928   4.9168   11.932   7.2893   26.602   6.6599   65.795   19.268   99.157   12.430 -33.36200 22.92887 
1 1 1   -9   13   25 o  771.159   9.6346  1607.43   40.110  1561.79   55.277  1658.17   58.292  759.631   13.466  782.687   13.783 -23.05524 19.26929 
1 1 1   -9   13   26 o  554.088   7.4293  830.430   22.240  832.698   31.789  828.257   31.125  554.823   10.603  553.353   10.409 1.469666 14.85864 
1 1 1   -9   13   27 o  248.257   5.8849  166.849   7.8767  153.358   11.106  180.502   11.173  238.140   8.6305  258.373   8.0027 -20.23279 11.76980 
1 1 1   -9   13   28 o  141.827   7.7352   53.975   5.8776   57.750   9.0305   51.201   7.7420  146.084   11.440  137.570   10.415 8.514069 15.47043 
1 1 1   -9   13   29 o  508.679   7.0742  699.718   19.442  683.719   27.227  716.362   27.771  502.747   10.022  514.611   9.9867 -11.86362 14.14832 
1 1 1   -9   13   30 o  296.558   8.5995  237.847   13.781  237.847   13.781   0.0000   0.0000  296.558   8.5995  ?   ?       ?      ? 
1 1 1   -9   13   31 o  536.072   7.3940  777.465   21.416  762.423   30.079  792.930   30.499  530.812   10.487  541.332   10.427 -10.52032 14.78799 
1 1 1   -9   13   32 o  810.595   10.152  1778.01   44.425  1726.70   61.230  1835.03   64.555  798.291   14.194  822.899   14.518 -24.60767 20.30363 
1 1 1   -9   13   33 o  507.968   7.1320  698.370   19.571  698.225   28.006  698.508   27.361  507.906   10.204  508.030   9.9669 -0.1234741 14.26407 
1 1 1   -9   13   34 o  791.222   9.9646  1696.80   42.593  1665.36   59.450  1729.97   61.055  783.704   14.038  798.740   14.146 -15.03595 19.92920 
1 1 1   -9   13   35 o  577.521   7.7737  903.151   24.257  884.804   34.075  922.001   34.538  571.571   11.033  583.472   10.955 -11.90070 15.54741 
1 1 1   -9   13   36 o  446.746   6.6250  540.598   15.988  529.164   22.735  551.784   22.487  442.056   9.5176  451.437   9.2182 -9.380676 13.24992 
1 1 1   -9   13   37 o  149.109   8.2971   60.866   6.6105   55.530   9.8426   65.250   8.9224  143.050   12.733  155.167   10.641 -12.11671 16.59425 
1 1 1   -9   13   38 o  181.693   8.9784   91.620   8.1151   84.369   14.371   95.014   9.8329  176.120   15.101  187.267   9.7170 -11.14682 17.95681 
1 1 1   -9   13   39 o  183.020   9.3811   89.555   9.2001  104.212   14.136   78.784   12.118  195.790   13.361  170.251   13.172 25.53961 18.76221 
1 1 1   -9   13   40 o   71.429   17.203   13.135   7.8665   12.214   12.474   13.743   10.136   71.409   25.534   71.449   23.059 -0.4019165E-01 34.40547 
1 1 1   -9   13   41 o  326.397   6.0029  288.152   10.571  299.648   15.485  278.120   14.466  332.463   8.6197  320.330   8.3571 12.13260 12.00588 
1 1 1   -9   13   42 o  442.741   6.5537  530.834   15.662  502.599   21.583  562.241   22.763  430.329   9.2814  455.152   9.2551 -24.82333 13.10733 
1 1 1   -9   13   43 o  211.579   6.4498  121.593   7.3520  121.416   10.818  121.744   10.022  211.393   9.4706  211.764   8.7582 -0.3707123 12.89954 
1 1 1   -9   13   44 o  249.264   8.8698  169.755   11.923  166.531   17.320  172.658   16.438  246.924   12.981  251.605   12.091 -4.680573 17.73958 
1 1 1   -9   13   45 o   86.148   17.226   21.040   8.9520   10.597   12.700   31.351   12.620   68.519   25.562  103.777   23.099 -35.25842 34.45252 
1 1 1   -9   13   46 o   52.189   15.670  -1.4080   8.2476 -11.1104   12.214   6.7230   11.182   44.056   20.606   60.322   23.612 -16.26598 31.33956 
1 1 1   -9   13   47 o  315.830   5.9690  271.745   10.167  264.096   14.720  278.722   14.059  311.495   8.7452  320.165   8.1264 -8.669800 11.93804 
1 1 1   -9   13   48 o   78.522   12.674   16.419   5.5771   27.695   8.7056   8.5703   7.2634   99.877   16.130   57.167   19.553 42.71014 25.34774 
1 1 1   -9   13   49 o   93.793   14.590   25.890   7.0846   25.928   9.1538   25.833   11.188   94.459   18.596   93.127   22.487 1.331902 29.17976 
1 1 1   -9   13   50 o  107.371   12.456   27.288   6.4932   52.815   12.410   17.665   7.6194  137.166   16.744   77.577   18.446 59.58893 24.91189 
1 1 1   -9   13   51 o  165.342   9.4274   76.397   7.4946   74.617   14.223   77.081   8.8181  162.981   16.150  167.702   9.7309 -4.720840 18.85479 
1 1 1   -9   13   52 o  195.304   6.6866  105.977   6.9410   96.168   10.512  113.561   9.2425  186.868   10.410  203.740   8.3951 -16.87177 13.37317 
1 1 1   -9   13   53 o  138.277   8.3864   54.177   6.1055   46.609   9.3226   59.860   8.0792  129.153   13.358  147.401   10.143 -18.24785 16.77279 
1 1 1   -9   13   54 o  216.163   6.4933  128.029   7.5502  134.130   11.326  123.148   10.130  220.641   9.4992  211.684   8.8555 8.956757 12.98670 
1 1 1   -9   13   55 f  113.460   10.086   36.178   6.1470   38.466   9.3115   34.411   8.1837  116.425   14.801  110.495   13.706 5.929657 20.17235 
1 1 1   -9   13   56 o  307.821   6.0565  261.360   10.039  254.180   14.700  267.635   13.743  303.580   8.9612  312.062   8.1500 -8.481323 12.11297 
1 1 1   -9   13   57 o   71.992   14.177   15.746   5.6489   18.677   8.8933   13.764   7.3139   77.093   20.847   66.891   19.218 10.20215 28.35342 
1 1 1   -9   13   58 o   39.876   12.611  -2.2601   5.4827   0.5854   8.6221  -4.1918   7.1040   44.566   19.332   35.187   16.199 9.378433 25.22152 
1 1 1   -9   13   59 f  108.083   11.342   35.889   6.1098   28.643   9.5699   40.875   7.9383   96.104   19.101  120.061   12.236 -23.95748 22.68392 
1 1 1   -9   13   60 o  314.951   6.2707  273.854   10.591  288.447   16.158  262.862   14.023  321.846   9.2906  308.057   8.4243 13.78934 12.54135 
1 1 1   -9   13   61 o   84.400   14.229   23.099   6.3585   26.137   9.6995   20.809   8.4202   89.001   20.579   79.798   19.656 9.203575 28.45813 
1 1 1   -9   13   62 o  212.025   7.2084  127.548   8.1850  118.082   12.102  135.528   11.112  204.027   10.977  220.023   9.3461 -15.99626 14.41678 
1 1 1   -9   13   63 o   61.016   15.484   11.498   6.5194   15.935   9.9725   8.1869   8.6153   68.085   22.913   53.946   20.834 14.13908 30.96866 
1 1 1   -9   13   64 o   63.865   15.589   15.177   6.5582   13.885   10.083   16.125   8.6339   61.340   22.797   66.390   21.267 -5.050220 31.17728 
1 1 1   -9   13   65 o   60.257   14.655   12.485   6.5937   2.9280   10.084   19.623   8.7149   46.638   20.552   73.876   20.896 -27.23793 29.30915 
1 1 1   -9   14    1 o  553.756   10.561  828.256   31.528  861.261   46.523  800.225   42.875  563.901   15.268  543.610   14.596 20.29083 21.12204 
1 1 1   -9   14    2 o  436.873   9.0233  516.553   21.300  516.667   30.305  516.441   29.944  436.916   12.836  436.830   12.685 0.8639526E-01 18.04663 
1 1 1   -9   14    3 o   78.695   13.160   13.981   5.2704   8.5448   6.1832   28.423   10.078   56.680   17.981  100.710   19.221 -44.02967 26.32032 
1 1 1   -9   14    4 o  643.139   11.630  1119.14   40.419   0.0000   0.0000  1119.14   40.419  ?   ?   643.139   11.630      ?      ? 
1 1 1   -9   14    6 o  1104.26   13.368  3306.67   79.765  3319.76  113.345  3293.82  112.272  1106.42   18.958  1102.11   18.852 4.308105 26.73594 
1 1 1   -9   14    7 o  829.855   10.302  1864.60   46.194  1872.72   65.795  1856.70   64.870  831.629   14.641  828.081   14.497 3.547852 20.60412 
1 1 1   -9   14    8 o  566.463   7.4725  867.681   22.865  877.372   32.851  858.574   31.844  569.523   10.675  563.402   10.460 6.121216 14.94491 
1 1 1   -9   14    9 o  1006.41   12.258  2744.78   66.660  2746.60   94.492  2742.98   94.053  1006.74   17.370  1006.09   17.300 0.6516724 24.51535 
1 1 1   -9   14   10 o  189.482   5.6153   96.935   5.7457  101.095   8.3041   93.114   7.9583  193.377   7.9469  185.587   7.9357 7.790115 11.23069 
1 1 1   -9   14   13 o  1204.39   14.522  3932.93   94.505  3907.14  132.846  3959.34  134.471  1200.40   20.480  1208.37   20.594 -7.968994 29.04385 
1 1 1   -9   14   14 o  496.651   6.8031  666.787   18.256  656.460   25.584  677.500   26.057  492.734   9.6086  500.568   9.6334 -7.833130 13.60621 
1 1 1   -9   14   15 o  1077.29   13.061  3143.76   76.025  3161.78  108.264  3126.24  106.784  1080.33   18.546  1074.26   18.395 6.067017 26.12137 
1 1 1   -9   14   16 o  617.356   8.0356  1029.73   26.790  1001.72   37.095  1060.25   38.731  608.597   11.280  626.116   11.448 -17.51862 16.07114 
1 1 1   -9   14   17 o  153.557   6.5441   63.883   5.4151   61.695   7.8758   65.844   7.4574  151.053   9.6489  156.060   8.8432 -5.006699 13.08824 
1 1 1   -9   14   18 o  585.122   7.6676  925.908   24.243  918.404   34.171  933.513   34.400  582.734   10.852  587.509   10.836 -4.774414 15.33528 
1 1 1   -9   14   19 o  718.156   9.0561  1394.39   35.126  1362.64   48.756  1428.66   50.651  709.669   12.714  726.642   12.900 -16.97327 18.11212 
1 1 1   -9   14   20 o  651.166   8.3478  1146.86   29.368  1155.35   41.993  1138.73   41.087  653.518   11.891  648.813   11.719 4.704834 16.69558 
1 1 1   -9   14   21 o  389.026   8.3702  409.152   17.596   0.0000   0.0000  409.152   17.596  ?   ?   389.026   8.3702      ?      ? 
1 1 1   -9   14   22 o  1105.29   13.394  3310.91   79.988  3277.45  112.075  3345.64  114.195  1099.61   18.862  1110.96   19.022 -11.34973 26.78818 
1 1 1   -9   14   23 o  737.211   9.3009  1470.73   37.050  1457.98   52.092  1483.78   52.706  733.981   13.134  740.441   13.173 -6.460632 18.60181 
1 1 1   -9   14   24 o  582.723   7.7354  917.993   24.349  895.128   33.884  942.407   35.012  575.228   10.901  590.218   10.978 -14.99060 15.47071 
1 1 1   -9   14   25 o  476.216   6.7482  613.446   17.363  607.756   24.672  619.029   24.440  474.023   9.6319  478.408   9.4539 -4.385529 13.49630 
1 1 1   -9   14   26 o  513.490   7.1206  713.303   19.757  707.648   27.976  718.930   27.906  511.457   10.122  515.524   10.018 -4.067383 14.24124 
1 1 1   -9   14   27 o  171.650   7.4932   79.840   6.9351   77.393   10.051   82.064   9.5813  169.126   10.998  174.173   10.180 -5.046463 14.98639 
1 1 1   -9   14   28 f  388.546   6.3107  408.603   13.240  393.754   18.835  423.106   18.615  381.553   9.1351  395.538   8.7093 -13.98453 12.62143 
1 1 1   -9   14   29 o  489.914   7.0608  649.351   18.692  643.047   26.364  655.722   26.504  487.522   10.008  492.307   9.9631 -4.784515 14.12151 
1 1 1   -9   14   30 o  569.438   7.7508  876.828   23.840  849.992   33.163  905.528   34.295  560.430   10.951  578.447   10.972 -18.01715 15.50156 
1 1 1   -9   14   31 o  247.443   6.3191  165.917   8.4324  154.955   11.985  176.664   11.867  239.324   9.2673  255.563   8.5930 -16.23938 12.63813 
1 1 1   -9   14   32 o  498.558   9.8931  672.751   26.652   0.0000   0.0000  672.751   26.652  ?   ?   498.558   9.8931      ?      ? 
1 1 1   -9   14   33 o  155.975   8.9526   69.066   7.1908   49.177   10.764   85.096   9.6635  134.643   14.794  177.306   10.086 -42.66234 17.90522 
1 1 1   -9   14   34 o  285.739   9.1497  220.998   14.127  220.998   14.127   0.0000   0.0000  285.739   9.1497  ?   ?       ?      ? 
1 1 1   -9   14   35 o  275.554   6.2290  205.765   9.2574  190.605   13.058  221.083   13.126  265.321   9.1080  285.787   8.4997 -20.46597 12.45792 
1 1 1   -9   14   36 o  278.833   8.5479  210.485   12.879   0.0000   0.0000  210.485   12.879  ?   ?   278.833   8.5479      ?      ? 
1 1 1   -9   14   37 o  254.184   8.4377  174.028   11.432  182.973   17.876  167.838   14.871  259.592   12.744  248.775   11.062 10.81708 16.87532 
1 1 1   -9   14   38 o  342.069   8.4180  318.134   15.521  312.162   22.646  323.423   21.315  338.970   12.364  345.169   11.428 -6.198547 16.83609 
1 1 1   -9   14   39 o  157.559   8.9409   68.001   7.5535   75.853   10.525   59.662   10.847  167.083   11.657  148.035   13.559 19.04797 17.88175 
1 1 1   -9   14   40 o  576.829   7.7803  904.101   24.250  896.199   34.382  911.922   34.206  574.298   11.079  579.359   10.926 -5.060913 15.56059 
1 1 1   -9   14   41 o  530.399   7.3501  764.421   21.059  768.444   30.201  760.613   29.381  531.722   10.511  529.075   10.277 2.647095 14.70023 
1 1 1   -9   14   42 o  244.094   8.0794  160.914   9.8259  158.731   11.765  165.946   17.865  241.762   9.0058  246.426   13.416 -4.664810 16.15878 
1 1 1   -9   14   43 o  163.654   11.133   73.276   9.8226   80.631   14.329   66.757   13.491  171.418   15.470  155.889   16.015 15.52939 22.26672 
1 1 1   -9   14   44 o  366.685   9.0308  366.816   17.871  344.595   24.595  391.667   26.010  354.933   12.824  378.437   12.719 -23.50412 18.06160 
1 1 1   -9   14   45 o  124.388   11.674   43.449   7.0136   41.351   13.129   44.286   8.2967  121.570   19.986  127.206   12.070 -5.635971 23.34761 
1 1 1   -9   14   46 o  457.230   6.7539  569.908   16.683  554.395   23.566  585.494   23.620  450.942   9.6710  463.519   9.4303 -12.57770 13.50770 
1 1 1   -9   14   47 f  226.965   6.3597  139.861   7.7254  144.005   11.842  136.789   10.194  229.761   9.5377  224.168   8.4152 5.593353 12.71940 
1 1 1   -9   14   48 o  112.103   13.338   34.519   7.3353   32.112   8.7776   40.090   13.356  107.492   15.112  116.715   21.984 -9.222443 26.67675 
1 1 1   -9   14   49 o  412.932   6.5081  465.283   14.480  476.644   21.408  455.701   19.660  417.419   9.4909  408.446   8.9075 8.972992 13.01617 
1 1 1   -9   14   50 o  132.895   11.112   48.894   7.0583   50.811   13.714   48.203   8.2324  133.540   19.004  132.251   11.520 1.289734 22.22317 
1 1 1   -9   14   51 o   52.022   13.080   4.7915   5.6059  -6.6557   8.7229   12.846   7.3169   38.030   17.662   66.014   19.296 -27.98420 26.15900 
1 1 1   -9   14   52 o   48.457   13.775   3.8234   5.5653   1.2333   8.6369   5.6623   7.2775   46.383   19.720   50.532   19.240 -4.148628 27.55058 
1 1 1   -9   14   53 o   89.126   12.704   24.171   5.8849   19.018   9.0669   27.921   7.7357   78.804   20.937   99.448   14.395 -20.64455 25.40791 
1 1 1   -9   14   54 o  251.410   6.2373  174.519   8.4302  164.648   12.335  183.171   11.548  244.446   9.3381  258.372   8.2715 -13.92603 12.47466 
1 1 1   -9   14   55 o  130.693   9.1629   49.307   6.2934   39.561   9.3426   57.402   8.5153  117.814   14.675  143.571   10.976 -25.75641 18.32572 
1 1 1   -9   14   56 o  104.829   11.306   33.279   5.9141   27.558   9.4091   37.016   7.6040   95.007   18.991  114.651   12.274 -19.64376 22.61232 
1 1 1   -9   14   57 o  117.759   9.9047   38.866   6.2088   44.352   9.8610   35.263   7.9919  124.175   14.696  111.344   13.283 12.83141 19.80935 
1 1 1   -9   14   58 o  110.206   12.265   40.751   6.3261   21.088   9.8347   54.629   8.2622   80.858   21.947  139.554   10.956 -58.69633 24.52963 
1 1 1   -9   14   59 o  109.518   11.051   35.291   6.4093   34.558   10.016   35.799   8.3407  107.624   17.222  111.412   13.854 -3.787392 22.10271 
1 1 1   -9   14   60 o  189.834   7.5465  101.736   7.6939  105.482   11.615   98.808   10.270  192.519   11.165  187.150   10.155 5.369644 15.09293 
1 1 1   -9   14   61 f  143.523   9.7537   61.876   7.2723   46.069   10.670   75.589   9.9381  124.111   15.910  162.934   11.288 -38.82349 19.50741 
1 1 1   -9   14   62 o  230.212   7.0276  149.110   8.7343  151.916   12.668  146.567   12.059  232.122   10.100  228.301   9.7749 3.821487 14.05517 
1 1 1   -9   14   63 o  104.872   12.689   36.410   6.9994   36.035   10.317   36.730   9.5276  102.564   19.324  107.180   16.451 -4.615997 25.37763 
1 1 1   -9   14   64 f  161.313   8.6940   75.773   7.5374   84.338   11.404   69.127   10.044  169.131   12.478  153.495   12.110 15.63611 17.38795 
1 1 1   -9   14   65 o   72.752   18.081   21.793   9.3057   35.090   14.242   11.885   12.293   88.397   27.177   57.106   23.857 31.29190 36.16301 
1 1 1   -9   15    1 o  185.812   5.9089   93.334   5.9274   93.581   8.5746   93.107   8.2030  186.045   8.5292  185.578   8.1801 0.4669495 11.81783 
1 1 1   -9   15    2 o  911.227   11.207  2248.07   55.174  2219.62   77.127  2277.89   78.961  905.334   15.766  917.119   15.933 -11.78442 22.41459 
1 1 1   -9   15    3 o  717.179   9.0918  1391.65   35.232  1378.36   49.499  1405.30   50.160  713.711   12.835  720.646   12.881 -6.935059 18.18369 
1 1 1   -9   15    4 o  350.421   8.0386  331.966   15.222   0.0000   0.0000  331.966   15.222  ?   ?   350.421   8.0386      ?      ? 
1 1 1   -9   15    6 o  834.096   10.348  1883.25   46.639  1873.94   65.883  1892.60   66.032  832.028   14.654  836.165   14.614 -4.136292 20.69557 
1 1 1   -9   15    8 o  235.880   5.5465  150.544   7.0546  148.128   10.272  152.700   9.7053  234.083   8.1209  237.676   7.5568 -3.593231 11.09299 
1 1 1   -9   15    9 o  568.826   10.612  875.016   32.620   0.0000   0.0000  875.016   32.620  ?   ?   568.826   10.612      ?      ? 
1 1 1   -9   15   10 o  646.756   8.3341  1131.38   29.126  1122.31   41.100  1140.54   41.282  644.150   11.808  649.363   11.765 -5.212830 16.66827 
1 1 1   -9   15   12 o  1589.83   19.022  6866.38  163.400  6802.88  228.986  6932.25  233.239  1582.38   26.780  1597.28   27.023 -14.89478 38.04477 
1 1 1   -9   15   13 o  518.306   7.0605  726.433   19.774  722.238   28.061  730.571   27.868  516.817   10.048  519.795   9.9216 -2.978088 14.12098 
1 1 1   -9   15   14 o  135.220   7.2615   48.248   5.2326   61.057   8.0954   39.055   6.8577  150.266   9.9698  120.174   10.560 30.09213 14.52307 
1 1 1   -9   15   15 o  600.328   7.8618  974.674   25.502  965.560   35.871  983.990   36.264  597.490   11.110  603.165   11.126 -5.674194 15.72365 
1 1 1   -9   15   16 o  828.905   10.296  1859.79   46.117  1850.73   65.108  1868.92   65.332  826.876   14.572  830.934   14.550 -4.057617 20.59218 
1 1 1   -9   15   17 o  615.857   7.9950  1025.54   26.601  1008.43   37.160  1043.52   38.096  610.595   11.263  621.120   11.350 -10.52429 15.98993 
1 1 1   -9   15   18 o  435.846   8.8917  513.603   20.941   0.0000   0.0000  513.603   20.941  ?   ?   435.846   8.8917      ?      ? 
1 1 1   -9   15   20 o  398.776   6.2010  430.034   13.360  420.824   18.921  439.191   18.866  394.513   8.8756  403.038   8.6624 -8.524353 12.40210 
1 1 1   -9   15   21 o  799.576   10.004  1729.29   43.201  1687.54   59.879  1774.60   62.389  789.534   14.035  809.619   14.261 -20.08502 20.00880 
1 1 1   -9   15   22 o  797.413   10.001  1720.64   43.079  1682.74   59.908  1761.23   61.992  788.335   14.063  806.492   14.225 -18.15613 20.00294 
1 1 1   -9   15   23 o  571.110   7.6806  881.966   23.696  859.818   33.033  905.446   34.011  563.729   10.844  578.490   10.880 -14.76160 15.36114 
1 1 1   -9   15   24 o  1044.42   12.775  2955.73   72.044  2881.91   99.558  3036.89  104.385  1030.79   17.874  1058.05   18.258 -27.26440 25.55032 
1 1 1   -9   15   25 o  650.291   8.4987  1142.58   29.832  1104.65   41.040  1185.07   43.439  638.879   11.888  661.703   12.149 -22.82446 16.99738 
1 1 1   -9   15   26 o   93.081   13.586   25.688   6.6919   14.133   10.038   34.932   8.9780   72.609   22.897  113.554   14.632 -40.94519 27.17255 
1 1 1   -9   15   27 o  543.283   7.5750  795.427   22.187  750.922   30.152  847.978   32.764  526.789   10.592  559.778   10.832 -32.98962 15.15008 
1 1 1   -9   15   28 o  133.117   10.065   48.832   7.1140   40.245   10.375   56.452   9.7733  121.841   15.758  144.392   12.526 -22.55151 20.13019 
1 1 1   -9   15   29 f  766.519   13.710  1591.84   56.785   0.0000   0.0000  1591.84   56.785  ?   ?   766.519   13.710      ?      ? 
1 1 1   -9   15   30 o  422.189   6.6366  482.254   15.138  468.907   21.277  495.935   21.541  416.270   9.4590  428.109   9.3117 -11.83923 13.27327 
1 1 1   -9   15   31 o  322.987   6.2824  281.989   10.946  286.632   16.013  277.917   14.997  325.468   9.1048  320.505   8.6591 4.963226 12.56488 
1 1 1   -9   15   32 o  581.477   7.8737  915.600   24.738  901.594   34.707  930.061   35.268  576.959   11.132  585.996   11.138 -9.037048 15.74731 
1 1 1   -9   15   33 o  131.554   9.7870   46.435   6.9074   54.993   10.363   39.593   9.2661  142.352   13.472  120.756   14.200 21.59563 19.57397 
1 1 1   -9   15   34 o  225.642   6.7357  138.495   8.1553  132.147   12.112  143.761   11.031  220.854   10.149  230.429   8.8587 -9.575562 13.47132 
1 1 1   -9   15   35 o  304.962   8.4541  253.017   13.862  244.369   20.456  260.360   18.849  300.059   12.616  309.865   11.257 -9.805328 16.90822 
1 1 1   -9   15   36 o  488.246   9.7615  648.335   25.736  639.640   36.946  656.531   35.870  485.000   14.097  491.491   13.506 -6.491730 19.52308 
1 1 1   -9   15   37 o  322.884   8.4506  283.962   14.696  271.847   21.377  294.820   20.237  316.252   12.509  329.516   11.365 -13.26340 16.90114 
1 1 1   -9   15   38 o  271.409   6.2608  200.251   9.1554  189.433   13.217  210.229   12.694  264.301   9.2546  278.517   8.4345 -14.21649 12.52152 
1 1 1   -9   15   39 o  128.514   9.3705   44.446   6.4013   57.104   9.6035   34.326   8.5871  144.855   12.269  112.173   14.167 32.68130 18.74091 
1 1 1   -9   15   40 o  384.364   6.3375  400.827   13.153  404.700   19.016  397.274   18.212  386.113   9.1139  382.614   8.8085 3.499817 12.67492 
1 1 1   -9   15   41 o  166.148   10.019   78.393   8.5292   86.514   10.852   65.270   13.795  178.218   11.269  154.077   16.569 24.14101 20.03745 
1 1 1   -9   15   42 o  372.337   9.0585  378.334   18.216  362.838   25.372  394.820   26.170  364.452   12.883  380.222   12.737 -15.76990 18.11692 
1 1 1   -9   15   43 o  299.569   8.9662  244.965   14.494  235.586   19.871  255.631   21.189  293.499   12.529  305.640   12.829 -12.14188 17.93232 
1 1 1   -9   15   44 o  208.908   8.2107  118.106   8.3108  122.207   15.848  116.550   9.7606  210.834   13.911  206.982   8.7268 3.852188 16.42142 
1 1 1   -9   15   45 o  454.502   6.7691  562.231   16.609  530.166   23.015  597.074   23.992  440.965   9.6589  468.039   9.4863 -27.07397 13.53819 
1 1 1   -9   15   46 o  258.175   6.1981  182.205   8.5929  175.273   12.745  187.983   11.635  253.524   9.3033  262.827   8.1923 -9.303391 12.39619 
1 1 1   -9   15   47 o  328.612   7.6746  295.760   12.977  294.942   16.064  297.297   22.016  328.698   9.0440  328.526   12.402 0.1720886 15.34910 
1 1 1   -9   15   48 f   35.652   11.892 -10.1329   6.0072  -4.4194   8.8926 -14.9288   8.1473   40.874   18.551   30.431   14.882 10.44330 23.78320 
1 1 1   -9   15   49 o   99.514   14.456   28.578   6.7990   29.730   13.317   28.172   7.9072   98.518   24.980  100.510   14.559 -1.992805 28.91282 
1 1 1   -9   15   50 o  160.145   8.2009   72.925   6.8663   60.682   10.556   81.904   9.0401  147.603   13.235  172.686   9.6878 -25.08365 16.40173 
1 1 1   -9   15   51 o  247.727   6.3688  168.007   8.4689  171.402   12.785  165.352   11.305  249.752   9.4735  245.701   8.5145 4.050812 12.73751 
1 1 1   -9   15   52 o   44.104   13.341   0.5700   5.7514  -3.6040   9.0580   3.3895   7.4447   41.551   18.804   46.657   18.929 -5.105816 26.68143 
1 1 1   -9   15   53 o  161.771   7.9219   72.619   6.8550   73.430   10.482   72.014   9.0615  162.248   11.956  161.295   10.397 0.9531250 15.84382 
1 1 1   -9   15   54 o   64.707   14.894   12.606   5.9698   11.275   9.2308   13.563   7.8270   62.656   22.010   66.757   20.070 -4.100971 29.78705 
1 1 1   -9   15   55 o   51.051   13.863   5.2137   5.8145  -1.4739   8.8786   10.236   7.6940   42.885   19.072   59.217   20.125 -16.33165 27.72612 
1 1 1   -9   15   56 f   59.573   14.748   10.276   5.7926   10.618   9.0742   10.040   7.5255   60.685   21.770   58.461   19.903 2.224529 29.49674 
1 1 1   -9   15   57 o  158.499   8.1158   70.387   6.8976   72.846   10.490   68.514   9.1550  160.586   12.089  156.411   10.832 4.175201 16.23165 
1 1 1   -9   15   58 o   60.969   15.196   11.292   6.2601   9.4133   9.6252   12.669   8.2414   58.344   22.147   63.593   20.812 -5.249645 30.39119 
1 1 1   -9   15   59 o  249.059   6.6718  173.243   8.9291  178.353   13.427  169.191   11.956  251.935   9.8627  246.184   8.9876 5.751755 13.34355 
1 1 1   -9   15   60 o  102.560   11.966   31.365   6.5468   35.497   10.299   28.563   8.4810  107.590   17.714   97.530   16.093 10.06004 23.93229 
1 1 1   -9   15   61 o  305.318   6.6343  261.894   10.900  247.503   15.851  274.803   15.013  296.745   9.8851  313.890   8.8509 -17.14490 13.26852 
1 1 1   -9   15   62 o   61.130   15.481   13.651   6.6558   10.166   10.226   16.212   8.7671   55.734   22.334   66.526   21.443 -10.79192 30.96150 
1 1 1   -9   15   63 o  115.176   15.144   45.404   8.1601   45.338   15.388   45.430   9.6248  107.925   26.565  122.427   14.549 -14.50199 30.28793 
1 1 1   -9   15   64 o   52.469   15.639   4.9757   8.9704 -13.9212   14.284   17.282   11.527   40.231   19.682   64.708   24.310 -24.47654 31.27891 
1 1 1   -9   16    1 o  318.303   8.1634  273.883   14.041  273.883   14.041   0.0000   0.0000  318.303   8.1634  ?   ?       ?      ? 
1 1 1   -9   16    4 o  464.176   6.6595  582.555   16.703  579.761   23.694  585.316   23.550  463.068   9.4690  465.284   9.3665 -2.216553 13.31896 
1 1 1   -9   16    5 o  927.328   11.403  2327.38   57.129  2294.82   79.797  2361.62   81.825  920.686   16.039  933.970   16.213 -13.28387 22.80634 
1 1 1   -9   16    6 o  757.767   9.5335  1552.87   39.024  1525.90   54.334  1581.61   56.084  750.981   13.389  764.553   13.575 -13.57245 19.06707 
1 1 1   -9   16    9 o  246.787   5.6898  163.381   7.5287  174.342   11.523  155.217   9.9448  253.948   8.3971  239.626   7.6803 14.32213 11.37969 
1 1 1   -9   16   14 o  220.174   5.7918  131.213   6.8810  127.255   9.9043  134.906   9.5668  216.956   8.4482  223.391   7.9253 -6.435013 11.58367 
1 1 1   -9   16   15 o  723.497   9.1882  1416.36   35.921  1409.76   50.670  1423.03   50.932  721.802   12.991  725.193   12.997 -3.390747 18.37641 
1 1 1   -9   16   16 o  497.903   6.9589  670.000   18.717  651.666   26.113  689.372   26.843  490.901   9.8442  504.904   9.8385 -14.00269 13.91775 
1 1 1   -9   16   17 o  1009.50   12.357  2760.49   67.394  2722.90   94.167  2799.96   96.496  1002.47   17.383  1016.53   17.567 -14.05731 24.71413 
1 1 1   -9   16   18 f  924.692   11.412  2314.52   56.994  2265.70   79.102  2367.24   82.191  914.577   16.006  934.807   16.271 -20.22968 22.82401 
1 1 1   -9   16   19 f  832.171   10.369  1873.53   46.596  1829.22   64.459  1922.03   67.434  821.894   14.514  842.448   14.813 -20.55383 20.73841 
1 1 1   -9   16   20 o  163.660   7.4326   72.436   6.5612   66.643   9.1674   78.520   9.3946  156.947   10.809  170.372   10.205 -13.42450 14.86529 
1 1 1   -9   16   21 f  738.646   9.3919  1476.71   37.478  1451.83   52.314  1502.95   53.718  732.263   13.221  745.029   13.343 -12.76599 18.78387 
1 1 1   -9   16   22 o  619.876   11.680  1039.86   39.123  1039.86   39.123   0.0000   0.0000  619.876   11.680  ?   ?       ?      ? 
1 1 1   -9   16   23 o  319.469   8.7653  276.003   15.132   0.0000   0.0000  276.003   15.132  ?   ?   319.469   8.7653      ?      ? 
1 1 1   -9   16   24 o  493.648   10.073  659.263   26.870   0.0000   0.0000  659.263   26.870  ?   ?   493.648   10.073      ?      ? 
1 1 1   -9   16   25 f  544.656   10.656  802.746   31.363   0.0000   0.0000  802.746   31.363  ?   ?   544.656   10.656      ?      ? 
1 1 1   -9   16   27 o  184.582   8.0587   92.299   8.0111   91.322   11.788   93.138   10.920  183.658   11.878  185.506   10.894 -1.847580 16.11749 
1 1 1   -9   16   29 o  158.687   8.8324   69.224   7.4556   56.940   10.769   80.530   10.332  144.923   13.752  172.451   11.087 -27.52853 17.66489 
1 1 1   -9   16   30 o   70.096   15.745   13.082   6.8087   9.7796   9.8555   16.098   9.4174   64.214   22.724   75.977   21.801 -11.76316 31.49068 
1 1 1   -9   16   31 o  211.969   6.8643  121.163   7.8319  127.084   11.702  116.358   10.541  216.627   9.9967  207.311   9.4095 9.315521 13.72857 
1 1 1   -9   16   32 o  219.397   6.9303  131.704   8.1327  115.335   11.837  146.340   11.193  206.306   10.618  232.489   8.9096 -26.18297 13.86063 
1 1 1   -9   16   33 o  349.643   7.9166  326.353   13.653  343.919   25.412  319.224   16.187  355.917   13.213  343.369   8.7243 12.54846 15.83321 
1 1 1   -9   16   34 o  135.911   12.763   50.613   9.0184   49.617   14.864   51.194   11.345  134.660   20.427  137.161   15.307 -2.501251 25.52589 
1 1 1   -9   16   35 o  352.316   8.7153  335.925   16.480  347.748   24.972  326.802   21.936  357.693   12.920  346.939   11.701 10.75470 17.43065 
1 1 1   -9   16   36 o  206.561   7.2492  115.901   8.0550  114.431   11.931  117.132   10.919  205.312   10.754  207.811   9.7240 -2.497910 14.49833 
1 1 1   -9   16   37 o  152.647   8.4678   63.265   6.9736   65.048   10.205   61.704   9.5516  154.641   12.213  150.653   11.733 3.988342 16.93555 
1 1 1   -9   16   38 o  130.174   9.2173   46.168   6.4787   46.521   9.3623   45.845   8.9745  130.631   13.263  129.718   12.803 0.9131622 18.43468 
1 1 1   -9   16   39 o  137.043   11.962   52.399   8.1885   53.752   9.9315   49.527   14.471  140.317   13.098  133.768   20.019 6.549301 23.92373 
1 1 1   -9   16   40 o  272.898   9.2136  202.967   13.565  196.171   18.556  210.766   19.879  268.052   12.811  277.745   13.246 -9.692688 18.42729 
1 1 1   -9   16   41 o   51.789   16.089  -2.5390   8.6724  -3.6014   11.948  -1.3561   12.608   49.939   22.170   53.639   23.323 -3.700375 32.17854 
1 1 1   -9   16   42 o  164.705   11.192   74.342   9.8853   62.477   13.468   88.198   14.555  150.385   16.573  179.025   15.046 -28.64009 22.38403 
1 1 1   -9   16   43 f  107.761   11.692   33.765   6.3432   27.642   9.9269   37.990   8.2463   97.861   19.457  117.661   12.970 -19.80024 23.38386 
1 1 1   -9   16   44 o  448.930   6.7751  549.286   16.411  553.392   23.906  545.626   22.569  450.413   9.8223  447.448   9.3344 2.965393 13.55016 
1 1 1   -9   16   45 o  189.585   7.0106   96.601   7.1064  108.933   11.073   87.966   9.2663  199.634   10.265  179.536   9.5515 20.09894 14.02124 
1 1 1   -9   16   46 o  215.333   8.6361  131.914   9.3999  141.215   11.675  114.775   15.849  227.289   9.5059  203.378   14.421 23.91020 17.27224 
1 1 1   -9   16   47 f  229.339   8.1202  143.407   9.5675  140.489   11.775  149.077   16.414  226.561   9.6179  232.117   13.086 -5.555908 16.24047 
1 1 1   -9   16   48 o  259.473   7.6562  185.949   9.7754  183.288   17.933  187.075   11.660  257.179   12.904  261.768   8.2432 -4.588806 15.31245 
1 1 1   -9   16   49 o   48.658   14.056   3.3661   5.8159   1.7731   9.1909   4.4300   7.5110   48.450   20.457   48.867   19.283 -0.4168663 28.11297 
1 1 1   -9   16   50 o  116.176   10.340   39.165   6.2508   31.727   9.5964   44.647   8.2382  105.545   16.826  126.808   12.023 -21.26347 20.67995 
1 1 1   -9   16   51 o  189.010   7.0137   98.771   7.0880   97.250   10.784   99.928   9.4049  187.424   10.648  190.595   9.1317 -3.171631 14.02746 
1 1 1   -9   16   52 o  159.153   8.0171   71.644   6.7666   60.693   10.019   80.828   9.1752  147.248   12.592  171.057   9.9263 -23.80898 16.03419 
1 1 1   -9   16   53 o  300.330   6.2020  248.435   9.9993  248.638   15.019  248.274   13.401  300.110   9.2614  300.550   8.2515 -0.4405212 12.40405 
1 1 1   -9   16   54 o  175.029   7.6993   86.311   7.1743   79.820   10.862   91.335   9.5553  168.578   11.924  181.480   9.7438 -12.90144 15.39863 
1 1 1   -9   16   55 o  146.766   8.8653   58.638   6.8800   78.766   10.908   45.342   8.8657  167.133   12.078  126.399   12.980 40.73453 17.73058 
1 1 1   -9   16   56 o   77.207   14.185   17.561   6.2495   28.493   9.7291   9.8819   8.1543   95.952   19.431   58.462   20.672 37.48974 28.37055 
1 1 1   -9   16   57 o  115.014   10.757   38.579   6.6245   39.162   10.082   38.136   8.7877  115.201   16.196  114.827   14.163 0.3736038 21.51468 
1 1 1   -9   16   58 o  245.655   6.7457  169.384   8.8991  165.431   13.243  172.639   12.017  242.505   10.106  248.805   8.9381 -6.300339 13.49135 
1 1 1   -9   16   59 o  130.140   10.202   49.538   7.1092   52.600   10.920   47.285   9.3658  133.018   15.192  127.262   13.619 5.755562 20.40335 
1 1 1   -9   16   60 o  202.214   9.6033  119.111   8.7153   46.795   11.452  218.618   13.434  124.443   17.031  279.984   8.8794 -155.5416 19.20668 
1 1 1   -9   16   61 o   49.253   14.739   5.3083   6.6939   7.2468   10.325   3.9028   8.7919   52.272   21.854   46.234   19.782 6.038307 29.47709 
1 1 1   -9   16   62 o  139.213   14.085   66.370   8.8113   57.748   16.377   69.883   10.453  124.479   25.212  153.948   12.566 -29.46885 28.16977 
1 1 1   -9   16   63 o   40.050   13.760 -11.5093   8.7184  -3.1914   14.472 -16.2477   10.923   46.357   21.914   33.743   16.646 12.61399 27.51930 
1 1 1   -9   17    1 o  618.869   8.2021  1035.84   27.427  1022.61   38.491  1049.49   39.091  614.855   11.585  622.882   11.614 -8.026489 16.40421 
1 1 1   -9   17    2 f  412.562   6.3638  460.089   14.181  463.666   20.393  456.739   19.733  414.111   9.1134  411.013   8.8847 3.097717 12.72762 
1 1 1   -9   17    3 o  1024.71   12.528  2839.01   69.258  2748.89   94.762  2942.36  101.473  1007.34   17.409  1042.09   18.020 -34.74884 25.05582 
1 1 1   -9   17    5 o   90.074   11.511   22.979   5.3301   13.834   7.4352   32.647   7.6450   70.304   19.083  109.844   12.880 -39.54095 23.02268 
1 1 1   -9   17    6 o  460.722   6.6581  572.784   16.549  593.352   24.254  554.869   22.636  468.439   9.5818  453.005   9.2472 15.43317 13.31623 
1 1 1   -9   17    8 o  506.464   7.0539  693.301   19.295  703.960   27.807  683.403   26.797  510.212   10.086  502.717   9.8644 7.494934 14.10780 
1 1 1   -9   17    9 o  674.973   12.269  1232.56   44.748   0.0000   0.0000  1232.56   44.748  ?   ?   674.973   12.269      ?      ? 
1 1 1   -9   17   10 o  141.557   7.9648   54.748   6.0287   49.003   8.8798   59.660   8.2111  134.585   12.210  148.529   10.231 -13.94402 15.92954 
1 1 1   -9   17   11 o  1186.58   14.392  3818.15   92.280  3810.07  130.360  3826.26  130.647  1185.32   20.353  1187.83   20.354 -2.516602 28.78417 
1 1 1   -9   17   12 o  807.695   14.284  1765.86   62.341   0.0000   0.0000  1765.86   62.341  ?   ?   807.695   14.284      ?      ? 
1 1 1   -9   17   13 o  896.213   11.103  2174.24   53.753  2139.73   74.941  2210.81   77.143  888.905   15.602  903.520   15.801 -14.61578 22.20528 
1 1 1   -9   17   14 o  752.934   9.5533  1533.32   38.851  1499.06   53.947  1570.23   55.997  744.214   13.415  761.654   13.606 -17.44037 19.10667 
1 1 1   -9   17   15 o  689.982   8.9100  1288.35   33.220  1277.66   46.839  1299.16   47.122  687.102   12.615  692.862   12.586 -5.759888 17.81996 
1 1 1   -9   17   16 o  646.336   8.4680  1129.22   29.554  1098.41   40.863  1163.02   42.795  637.109   11.870  655.564   12.081 -18.45416 16.93600 
1 1 1   -9   17   17 o  749.360   9.5234  1519.51   38.548  1488.97   53.601  1552.22   55.477  741.576   13.376  757.143   13.560 -15.56665 19.04683 
1 1 1   -9   17   18 o  522.935   10.334  739.805   29.200   0.0000   0.0000  739.805   29.200  ?   ?   522.935   10.334      ?      ? 
1 1 1   -9   17   19 o  350.577   6.2461  332.422   11.831  327.905   16.785  336.881   16.679  348.207   8.9206  352.948   8.7450 -4.740417 12.49213 
1 1 1   -9   17   20 o  171.443   11.556   79.540   10.705   79.540   10.705   0.0000   0.0000  171.443   11.556  ?   ?       ?      ? 
1 1 1   -9   17   21 o  438.254   6.7938  519.545   16.088  516.335   22.799  522.729   22.706  436.903   9.6569  439.605   9.5587 -2.702057 13.58767 
1 1 1   -9   17   23 o  447.301   6.9041  540.984   16.682  552.846   23.974  529.848   23.228  452.049   9.8144  442.552   9.7130 9.496429 13.80810 
1 1 1   -9   17   24 o  493.132   7.2542  656.969   19.301  675.372   28.233  640.822   26.445  499.591   10.458  486.672   10.056 12.91891 14.50848 
1 1 1   -9   17   25 o  391.739   6.6847  415.218   14.146  402.617   19.954  427.952   20.058  385.756   9.5726  397.721   9.3331 -11.96548 13.36937 
1 1 1   -9   17   26 o  604.568   8.1818  988.628   26.711  954.728   36.975  1025.63   38.631  593.747   11.524  615.389   11.617 -21.64191 16.36355 
1 1 1   -9   17   27 o  313.096   9.1362  265.258   15.457   0.0000   0.0000  265.258   15.457  ?   ?   313.096   9.1362      ?      ? 
1 1 1   -9   17   28 o  382.149   6.5281  395.073   13.477  382.683   18.879  407.950   19.245  376.037   9.2908  388.261   9.1731 -12.22382 13.05622 
1 1 1   -9   17   29 o  526.583   7.4421  750.833   21.172  736.813   29.589  765.542   30.307  521.551   10.499  531.615   10.550 -10.06403 14.88418 
1 1 1   -9   17   30 o  272.437   9.1772  200.976   13.510   0.0000   0.0000  200.976   13.510  ?   ?   272.437   9.1772      ?      ? 
1 1 1   -9   17   31 o  216.991   9.5732  130.576   9.8769  122.072   18.928  133.758   11.578  211.765   16.541  222.217   9.6422 -10.45213 19.14644 
1 1 1   -9   17   32 o  940.798   16.628  2428.00   84.475  2358.11  116.852  2504.50  122.263  926.750   23.334  954.846   23.696 -28.09607 33.25592 
1 1 1   -9   17   33 o  159.564   12.431   66.338   10.427   83.941   17.394   56.464   13.027  175.255   18.367  143.874   16.756 31.38060 24.86157 
1 1 1   -9   17   34 o  495.053   8.6589  661.193   22.018  650.599   27.103  681.757   37.759  489.701   10.242  500.405   13.964 -10.70447 17.31777 
1 1 1   -9   17   35 o  210.963   7.2941  121.354   8.2747  113.131   12.036  128.724   11.395  204.097   10.913  217.828   9.6807 -13.73128 14.58813 
1 1 1   -9   17   36 o  425.174   9.2121  490.425   21.165   0.0000   0.0000  490.425   21.165  ?   ?   425.174   9.2121      ?      ? 
1 1 1   -9   17   37 o  171.637   10.333   82.340   9.0657   86.587   11.310   74.707   15.161  178.328   11.737  164.946   17.010 13.38190 20.66659 
1 1 1   -9   17   38 o   50.521   15.982  -5.5962   9.0863 -10.3919   12.957  -0.9556   12.746   46.606   21.604   54.436   23.559 -7.830086 31.96481 
1 1 1   -9   17   39 o  381.918   9.1523  398.288   18.884  393.243   26.363  403.604   27.062  379.463   12.857  384.374   13.029 -4.910706 18.30468 
1 1 1   -9   17   40 o   84.525   17.928   18.161   9.2210   9.1014   11.903   31.757   14.582   65.190   24.657  103.861   26.032 -38.67090 35.85600 
1 1 1   -9   17   41 o  232.757   7.9634  149.655   9.1316  143.851   16.626  152.162   10.927  228.951   13.438  236.563   8.5483 -7.612457 15.92680 
1 1 1   -9   17   42 o   71.792   14.757   14.907   6.0538   13.636   9.2718   15.852   7.9927   69.647   22.010   73.937   19.664 -4.290565 29.51476 
1 1 1   -9   17   43 o  292.119   8.3225  232.190   13.137   0.0000   0.0000  232.190   13.137  ?   ?   292.119   8.3225      ?      ? 
1 1 1   -9   17   44 o  218.535   6.5869  130.188   7.7199  131.506   11.679  129.165   10.288  219.387   9.8515  217.682   8.7464 1.704422 13.17386 
1 1 1   -9   17   45 o  124.671   13.448   45.077   8.1971   46.072   10.019   43.063   14.255  128.812   14.394  120.531   22.720 8.281204 26.89626 
1 1 1   -9   17   46 o   39.483   13.204 -10.1626   7.1869  -8.5453   8.9909 -13.0248   11.961   37.349   17.536   41.617   19.746 -4.267982 26.40842 
1 1 1   -9   17   47 o   73.892   16.132   15.392   6.6018   18.119   12.335   14.297   7.8154   78.188   25.455   69.597   19.824 8.590927 32.26390 
1 1 1   -9   17   48 o  209.788   6.9082  119.901   7.7677  129.207   11.920  113.034   10.240  216.644   10.183  202.931   9.3385 13.71303 13.81636 
1 1 1   -9   17   49 o  176.857   7.4441   86.518   7.0246   85.084   10.768   87.581   9.2681  175.268   11.370  178.446   9.6116 -3.178696 14.88828 
1 1 1   -9   17   50 f  140.154   8.9471   55.775   6.6423   49.516   10.070   60.596   8.8377  132.526   14.061  147.782   11.067 -15.25551 17.89416 
1 1 1   -9   17   51 o   68.815   14.296   12.660   5.9503   22.627   9.4974   6.2195   7.6344   85.840   20.713   51.790   19.709 34.05094 28.59106 
1 1 1   -9   17   52 o  233.122   6.5663  150.809   8.2258  140.537   12.001  159.909   11.297  225.278   9.8589  240.965   8.6757 -15.68767 13.13258 
1 1 1   -9   17   53 o   57.030   14.886   8.5766   6.0264   10.177   9.1288   7.3401   8.0231   60.193   21.803   53.867   20.273 6.325726 29.77217 
1 1 1   -9   17   54 o   38.394   12.352  -5.1988   5.9992 -14.6455   9.4864   1.0971   7.7445   33.548   16.331   43.240   18.535 -9.691956 24.70314 
1 1 1   -9   17   55 o  176.565   7.8835   89.200   7.3590   73.325   10.843  102.756   10.020  160.882   12.472  192.248   9.6455 -31.36583 15.76703 
1 1 1   -9   17   56 f  181.289   7.8393   93.436   7.5650   87.037   11.479   98.349   10.058  175.007   12.138  187.570   9.9236 -12.56363 15.67866 
1 1 1   -9   17   57 o  188.657   7.7986  102.150   7.8167   91.683   11.767  110.416   10.457  178.935   12.170  198.379   9.7552 -19.44382 15.59726 
1 1 1   -9   17   58 o   93.342   13.942   28.004   6.8129   32.733   10.005   23.915   9.3035  101.431   18.950   85.253   20.456 16.17767 27.88487 
1 1 1   -9   17   59 o   42.092   19.337  -3.8236   10.052  -3.8236   10.052   0.0000   0.0000   42.092   19.337  ?   ?       ?      ? 
1 1 1   -9   17   60 o   98.208   13.580   34.453   6.9100   20.356   10.401   45.593   9.2455   73.508   23.320  122.908   13.921 -49.39996 27.15927 
1 1 1   -9   17   61 f   53.115   16.727   4.3214   9.4139   7.3063   15.334   2.5158   11.926   56.947   25.206   49.283   21.997 7.664032 33.45480 
1 1 1   -9   17   62 o   51.975   16.481   5.3649   9.3416   7.7770   15.114   3.8739   11.883   54.963   24.631   48.987   21.904 5.975986 32.96189 
1 1 1   -9   18    1 o  587.026   7.9580  932.057   25.242  920.210   35.545  944.112   35.853  583.261   11.278  590.791   11.231 -7.529236 15.91590 
1 1 1   -9   18    4 o  1100.32   13.439  3280.17   79.874  3218.99  111.124  3345.57  114.887  1089.73   18.871  1110.90   19.138 -21.16785 26.87759 
1 1 1   -9   18    5 o  120.774   9.3305   39.469   6.0889   40.020   8.6648   38.932   8.5583  121.606   13.186  119.942   13.205 1.664215 18.66101 
1 1 1   -9   18    6 o  376.716   8.8487  383.712   18.013   0.0000   0.0000  383.712   18.013  ?   ?   376.716   8.8487      ?      ? 
1 1 1   -9   18    9 f  133.859   9.3848   48.606   6.6832   60.280   9.6851   37.994   9.2340  149.259   12.008  118.459   14.426 30.79957 18.76950 
1 1 1   -9   18   10 o  987.902   17.243  2645.09   92.047   0.0000   0.0000  2645.09   92.047  ?   ?   987.902   17.243      ?      ? 
1 1 1   -9   18   12 o  334.720   6.3850  303.055   11.534  301.659   16.716  304.324   15.935  333.976   9.2627  335.464   8.7907 -1.488495 12.77004 
1 1 1   -9   18   13 o  575.823   7.8754  894.438   24.460  852.832   33.386  942.654   35.940  561.421   11.005  590.225   11.269 -28.80438 15.75079 
1 1 1   -9   18   14 o  743.519   9.5388  1495.13   38.298  1449.06   52.966  1545.60   55.441  731.542   13.399  755.496   13.580 -23.95398 19.07766 
1 1 1   -9   18   15 o  302.766   9.1641  247.920   14.993   0.0000   0.0000  247.920   14.993  ?   ?   302.766   9.1641      ?      ? 
1 1 1   -9   18   16 o  537.493   7.5866  780.636   22.019  756.479   30.432  807.176   31.898  528.783   10.650  546.203   10.807 -17.42035 15.17328 
1 1 1   -9   18   17 o  412.772   9.5422  460.844   21.284   0.0000   0.0000  460.844   21.284  ?   ?   412.772   9.5422      ?      ? 
1 1 1   -9   18   19 o   53.514   15.535   2.4965   7.1889   2.6271   9.9023   2.3510   10.453   53.074   21.716   53.953   22.222 -0.8794556 31.07090 
1 1 1   -9   18   21 o  244.966   7.2543  162.345   9.6008  163.457   13.729  161.280   13.432  245.785   10.337  244.148   10.181 1.637009 14.50857 
1 1 1   -9   18   22 o  292.896   6.7981  232.304   10.747  219.913   15.224  244.611   15.173  285.093   9.8823  300.699   9.3379 -15.60593 13.59612 
1 1 1   -9   18   23 o  221.907   7.5483  133.201   9.0308  134.744   13.258  131.865   12.335  223.092   10.998  220.722   10.342 2.370041 15.09653 
1 1 1   -9   18   24 o  268.018   6.7261  194.239   9.7352  184.969   13.571  204.067   13.973  261.431   9.6066  274.605   9.4167 -13.17407 13.45212 
1 1 1   -9   18   26 o  273.708   9.8128  202.804   14.513  202.804   14.513   0.0000   0.0000  273.708   9.8128  ?   ?       ?      ? 
1 1 1   -9   18   27 o  471.446   7.0711  601.111   18.001  576.645   24.918  627.817   26.034  461.427   9.9936  481.465   10.007 -20.03729 14.14224 
1 1 1   -9   18   28 o  311.637   6.4928  262.888   10.921  245.735   15.280  280.801   15.615  301.233   9.3870  322.041   8.9729 -20.80823 12.98567 
1 1 1   -9   18   29 o   54.002   16.450   0.0039   8.0140  -2.9504   15.163   1.1490   9.4403   58.204   25.437   49.801   20.864 8.402817 32.89906 
1 1 1   -9   18   30 o  249.465   9.8595  170.873   12.904  161.419   20.595  176.982   16.556  243.539   15.650  255.391   11.997 -11.85210 19.71897 
1 1 1   -9   18   31 o  445.836   9.8269  541.122   23.642  510.135   33.506  571.847   33.364  433.022   14.319  458.650   13.462 -25.62787 19.65377 
1 1 1   -9   18   32 o  376.012   7.8045  378.725   15.174  366.893   18.758  401.126   25.810  367.866   9.4366  384.158   12.434 -16.29138 15.60907 
1 1 1   -9   18   33 o  282.096   6.5223  215.728   9.9230  216.824   14.509  214.764   13.602  282.738   9.4964  281.454   8.9432 1.284637 13.04462 
1 1 1   -9   18   34 o  296.148   6.4129  237.645   10.209  240.173   15.269  235.600   13.730  297.516   9.4975  294.780   8.6196 2.735962 12.82575 
1 1 1   -9   18   35 o  226.395   8.8301  135.444   10.374  125.557   12.785  154.505   17.751  214.872   11.011  237.917   13.807 -23.04527 17.66013 
1 1 1   -9   18   36 o  167.977   11.986   77.001   10.810   72.590   14.347   82.793   16.441  162.562   16.333  173.392   17.547 -10.82974 23.97180 
1 1 1   -9   18   37 o  197.781   10.862  108.567   11.439  117.117   15.341   97.860   17.168  206.955   13.718  188.607   16.845 18.34801 21.72374 
1 1 1   -9   18   38 o  127.049   14.843   43.874   9.8027   37.297   12.452   54.595   15.897  114.098   20.969  139.999   21.014 -25.90091 29.68624 
1 1 1   -9   18   39 o   71.217   16.094   10.441   7.0812   24.369   12.564   3.9567   8.5726   91.170   24.831   51.264   20.482 39.90616 32.18810 
1 1 1   -9   18   40 o  226.779   6.6830  140.045   8.1126  140.474   12.354  139.719   10.757  226.959   10.073  226.600   8.7850 0.3596954 13.36600 
1 1 1   -9   18   41 o  135.937   9.3610   49.020   6.7436   64.767   10.654   38.495   8.7106  153.587   12.837  118.288   13.628 35.29900 18.72197 
1 1 1   -9   18   42 o  341.648   8.5735  317.850   15.828   0.0000   0.0000  317.850   15.828  ?   ?   341.648   8.5735      ?      ? 
1 1 1   -9   18   43 o   96.049   12.642   26.559   6.3264   24.937   9.6629   27.777   8.3695   92.192   19.974   99.906   15.503 -7.714302 25.28443 
1 1 1   -9   18   44 o  185.622   7.6196   93.360   7.5572  102.544   11.785   86.945   9.8488  193.132   11.292  178.111   10.233 15.02075 15.23912 
1 1 1   -9   18   45 o  409.234   8.3378  462.380   17.477  463.788   21.565  459.685   29.833  411.472   9.6990  406.995   13.565 4.476471 16.67557 
1 1 1   -9   18   46 o  186.909   8.7581   90.272   8.0803  113.288   15.531   81.729   9.4616  201.372   14.273  172.446   10.154 28.92575 17.51611 
1 1 1   -9   18   47 f  194.762   8.6928  106.859   8.3439  101.509   15.092  109.215   10.013  190.061   14.695  199.463   9.2904 -9.401367 17.38555 
1 1 1   -9   18   48 o  146.508   8.5215   60.650   6.5777   54.583   10.193   64.980   8.6107  139.592   13.513  153.425   10.386 -13.83301 17.04296 
1 1 1   -9   18   49 o  122.129   9.9897   43.527   6.3178   35.328   9.8214   49.314   8.2517  111.091   16.361  133.167   11.467 -22.07594 19.97943 
1 1 1   -9   18   50 f  282.179   6.2901  219.717   9.5451  212.266   14.061  226.084   12.999  277.443   9.3792  286.914   8.3842 -9.471283 12.58030 
1 1 1   -9   18   51 o  174.050   7.7223   84.872   7.1732   80.993   10.882   87.853   9.5392  170.051   11.842  178.049   9.9148 -7.998535 15.44463 
1 1 1   -9   18   52 o   84.119   14.224   22.115   6.3213   21.384   9.8142   22.633   8.2636   82.069   21.772   86.169   18.312 -4.100121 28.44900 
1 1 1   -9   18   53 o  159.251   8.2514   69.683   6.9866   80.466   11.158   62.730   8.9604  168.847   12.230  149.656   11.080 19.19124 16.50277 
1 1 1   -9   18   54 o  131.509   9.7487   50.506   6.7694   42.599   10.113   56.926   9.1121  121.029   15.463  141.990   11.876 -20.96121 19.49737 
1 1 1   -9   18   55 o   74.014   15.137   18.020   6.5364   13.919   9.8302   21.270   8.7513   66.280   22.746   81.748   19.980 -15.46795 30.27459 
1 1 1   -9   18   56 o   45.490   13.771   0.9983   6.4212  -6.3183   9.8094   6.4839   8.4938   39.398   18.440   51.583   20.458 -12.18539 27.54181 
1 1 1   -9   18   57 o   48.592   14.538   3.6864   6.5483   4.2404   9.8411   3.2462   8.7722   50.100   21.162   47.085   19.939 3.014736 29.07598 
1 1 1   -9   18   58 o  108.852   12.642   36.981   7.1139   30.275   10.271   43.165   9.8627   96.817   20.282  120.887   15.098 -24.06966 25.28450 
1 1 1   -9   18   59 o   42.542   14.224  -4.5100   7.4155  -1.4002   14.648  -5.5817   8.5988   49.047   22.815   36.038   16.992 13.00824 28.44709 
1 1 1   -9   18   60 o   52.203   16.621   3.0395   9.3613   6.4189   16.091   1.3106   11.509   56.794   25.436   47.612   21.404 9.182468 33.24284 
1 1 1   -9   18   61 o  142.064   14.875   71.542   10.601   69.099   17.191   73.041   13.466  133.630   24.717  150.499   16.558 -16.86818 29.75066 
1 1 1   -9   19    1 o  931.238   11.567  2349.33   58.190  2309.55   81.094  2391.55   83.547  923.133   16.257  939.342   16.460 -16.20880 23.13447 
1 1 1   -9   19    2 o  1039.46   18.089  2930.45  101.605   0.0000   0.0000  2930.45  101.605  ?   ?   1039.46   18.089      ?      ? 
1 1 1   -9   19    3 o  244.206   6.5459  161.559   8.6235  154.291   12.363  168.446   12.035  238.840   9.5791  249.573   8.9238 -10.73303 13.09171 
1 1 1   -9   19    5 o  696.069   9.0987  1310.05   34.200  1268.21   47.306  1355.85   49.499  684.449   12.791  707.688   12.944 -23.23969 18.19741 
1 1 1   -9   19    7 o  584.580   8.0269  920.866   25.291  872.097   34.303  978.953   37.437  567.706   11.182  601.453   11.519 -33.74725 16.05373 
1 1 1   -9   19    9 o  948.747   11.778  2440.09   60.383  2424.49   85.163  2455.87   85.628  945.695   16.665  951.799   16.649 -6.103821 23.55658 
1 1 1   -9   19   10 o  463.084   7.0324  579.644   17.581  589.801   25.503  570.447   24.270  466.938   10.108  459.230   9.7802 7.707214 14.06476 
1 1 1   -9   19   11 o  495.359   7.3392  663.872   19.641  647.334   27.732  680.518   27.822  489.161   10.491  501.556   10.266 -12.39481 14.67835 
1 1 1   -9   19   12 o  617.905   8.3595  1032.68   27.902  1011.25   38.817  1055.59   40.134  611.283   11.751  624.528   11.892 -13.24512 16.71899 
1 1 1   -9   19   13 o  223.199   7.3736  134.781   8.8920  137.713   12.604  131.876   12.546  225.618   10.338  220.780   10.517 4.838104 14.74718 
1 1 1   -9   19   14 o  513.148   7.4683  711.659   20.697  685.476   28.708  739.994   29.865  503.332   10.555  522.964   10.568 -19.63196 14.93657 
1 1 1   -9   19   15 o  414.031   6.8576  463.826   15.339  458.523   21.841  468.988   21.548  411.688   9.8178  416.374   9.5769 -4.685028 13.71520 
1 1 1   -9   19   16 o  472.037   10.064  602.859   25.670   0.0000   0.0000  602.859   25.670  ?   ?   472.037   10.064      ?      ? 
1 1 1   -9   19   17 o  598.247   8.2402  968.367   26.633  945.225   37.229  992.623   38.115  590.929   11.659  605.565   11.648 -14.63599 16.48044 
1 1 1   -9   19   18 o  487.363   7.3538  642.641   19.364  629.446   27.239  656.122   27.534  482.302   10.452  492.423   10.348 -10.12146 14.70756 
1 1 1   -9   19   19 o  783.260   14.178  1662.61   60.006   0.0000   0.0000  1662.61   60.006  ?   ?   783.260   14.178      ?      ? 
1 1 1   -9   19   20 o  657.541   8.7683  1168.39   31.110  1119.81   42.615  1223.82   45.521  642.960   12.266  672.121   12.534 -29.16046 17.53665 
1 1 1   -9   19   21 o  693.463   9.1182  1300.91   34.133  1253.43   46.987  1353.96   49.668  680.107   12.785  706.820   13.004 -26.71277 18.23650 
1 1 1   -9   19   22 o  404.723   6.8851  443.380   15.055  439.587   21.434  447.073   21.150  403.007   9.8425  406.439   9.6302 -3.431946 13.77011 
1 1 1   -9   19   23 o  556.343   7.8245  838.206   23.521  824.293   33.142  852.325   33.386  551.685   11.117  561.000   11.013 -9.314697 15.64901 
1 1 1   -9   19   24 o  502.015   7.4272  680.215   20.112  638.247   27.500  728.474   29.490  485.428   10.484  518.602   10.523 -33.17322 14.85436 
1 1 1   -9   19   25 o  448.947   7.0367  545.813   17.062  522.430   23.936  569.970   24.329  439.158   10.086  458.737   9.8144 -19.57813 14.07334 
1 1 1   -9   19   26 o  569.029   7.8848  877.790   24.243  870.580   34.348  884.947   34.223  566.689   11.217  571.369   11.084 -4.679504 15.76955 
1 1 1   -9   19   27 o  123.123   16.183   39.852   9.5973   48.559   18.329   36.563   11.265  130.445   26.897  115.801   18.002 14.64411 32.36550 
1 1 1   -9   19   28 o  339.168   9.4644  306.634   16.934  338.964   27.619  287.162   21.435  353.065   14.477  325.271   12.195 27.79407 18.92880 
1 1 1   -9   19   29 o  198.510   11.239  100.119   11.559  134.707   20.176   83.221   14.103  222.195   16.804  174.825   14.928 47.37059 22.47735 
1 1 1   -9   19   30 o  276.082   7.7081  206.727   11.211  206.108   14.332  207.703   17.997  275.693   9.6202  276.472   12.046 -0.7783508 15.41621 
1 1 1   -9   19   31 o   38.390   12.532 -14.1406   6.4665   0.6411   9.8485 -25.3426   8.5734   49.963   21.141   26.818   13.465 23.14412 25.06494 
1 1 1   -9   19   32 f  366.442   6.5898  364.284   13.046  354.981   18.387  373.717   18.514  361.716   9.4069  371.168   9.2311 -9.451721 13.17962 
1 1 1   -9   19   33 o  445.566   9.7570  541.355   23.472  530.856   32.416  552.928   34.032  441.092   13.600  450.040   13.994 -8.947388 19.51390 
1 1 1   -9   19   34 o  213.328   9.9622  125.114   11.418  137.410   15.936  112.140   16.369  224.324   13.146  202.333   14.972 21.99107 19.92448 
1 1 1   -9   19   35 o   84.905   18.478   20.322   9.2647   19.137   12.425   21.806   13.904   82.303   25.398   87.507   26.844 -5.203697 36.95501 
1 1 1   -9   19   36 o  249.920   9.4223  165.954   12.528  143.581   16.092  200.383   19.962  229.214   12.992  270.625   13.650 -41.41051 18.84460 
1 1 1   -9   19   37 o   92.889   13.618   24.975   6.6380   21.236   10.177   27.743   8.7575   85.464   21.928  100.314   16.156 -14.84957 27.23663 
1 1 1   -9   19   38 o  274.451   6.4850  204.806   9.5874  207.962   14.176  202.145   13.015  276.324   9.4940  272.578   8.8365 3.746002 12.97000 
1 1 1   -9   19   39 o  470.368   7.0857  603.520   18.004  584.211   25.348  623.181   25.578  462.722   10.138  478.013   9.9023 -15.29150 14.17136 
1 1 1   -9   19   40 o  209.989   7.1656  119.689   8.0900  127.203   12.194  113.781   10.812  215.770   10.458  204.208   9.7984 11.56197 14.33126 
1 1 1   -9   19   41 o   55.170   14.661   4.5177   6.1587   12.587   9.8322  -0.6923   7.9006   67.712   22.751   42.629   18.499 25.08282 29.32286 
1 1 1   -9   19   42 o   98.414   12.632   28.745   6.3527   22.498   9.7315   33.384   8.3860   87.119   20.933  109.709   14.146 -22.58939 25.26414 
1 1 1   -9   19   43 o   57.441   15.140   7.5378   6.2484   9.3204   9.5911   6.2234   8.2360   61.163   22.319   53.718   20.464 7.445648 30.28029 
1 1 1   -9   19   44 o  179.311   9.9426   92.821   9.0935  101.743   11.502   77.950   14.850  192.240   11.073  166.382   16.517 25.85782 19.88511 
1 1 1   -9   19   45 o  212.376   8.2243  123.577   8.7479  128.063   15.746  121.575   10.521  214.220   13.603  210.532   9.2480 3.688110 16.44858 
1 1 1   -9   19   46 o  208.646   8.0376  121.065   8.4149  118.874   14.889  122.093   10.200  206.306   13.355  210.986   8.9469 -4.680817 16.07526 
1 1 1   -9   19   47 f  154.418   8.1704   64.580   6.7092   75.857   10.717   57.312   8.6037  165.050   12.017  143.786   11.073 21.26411 16.34074 
1 1 1   -9   19   48 o   49.568   13.889   3.7088   6.0022  -4.2574   9.5824   8.8523   7.6998   42.143   19.177   56.993   20.095 -14.84993 27.77734 
1 1 1   -9   19   49 o  112.868   10.710   34.652   6.3782   45.849   10.421   27.946   8.0652  126.739   15.217   98.997   15.077 27.74171 21.42088 
1 1 1   -9   19   50 o   64.112   13.323   11.413   6.2695  -3.6888   9.7042   22.232   8.2138   42.618   19.357   85.605   18.310 -42.98713 26.64523 
1 1 1   -9   19   51 o  110.283   11.070   34.715   6.4851   37.974   10.316   32.586   8.3387  113.965   16.752  106.602   14.476 7.363892 22.13990 
1 1 1   -9   19   52 o  121.475   10.460   41.561   6.7761   48.196   10.693   37.108   8.7594  129.134   15.324  113.816   14.242 15.31746 20.92071 
1 1 1   -9   19   53 o  180.372   7.7456   91.735   7.4578   89.074   11.360   93.751   9.8867  177.479   11.845  183.265   9.9835 -5.786591 15.49117 
1 1 1   -9   19   54 o  137.066   9.7577   54.846   7.1178   47.257   10.436   61.446   9.7327  127.174   15.187  146.958   12.256 -19.78400 19.51543 
1 1 1   -9   19   55 f  168.092   8.3634   79.787   7.5365   90.768   11.579   71.714   9.9274  177.799   12.051  158.384   11.599 19.41521 16.72673 
1 1 1   -9   19   56 o   60.604   15.982   11.190   6.9636   12.418   10.637   10.268   9.2119   62.756   23.397   58.452   21.777 4.304691 31.96352 
1 1 1   -9   19   57 o   97.984   13.915   30.711   7.1645   28.649   10.804   32.330   9.5715   92.707   21.914  103.260   17.154 -10.55222 27.82918 
1 1 1   -9   19   58 o   59.033   16.156   9.4925   9.3822 -15.6013   15.958   22.748   11.598   42.634   20.846   75.431   24.689 -32.79653 32.31270 
1 1 1   -9   19   59 o   70.491   18.777   19.654   9.5796   19.635   16.279   19.664   11.848   69.560   28.071   71.422   24.945 -1.861633 37.55307 
1 1 1   -9   19   60 o   51.779   15.292   3.0604   7.9766  -9.2085   10.700   18.408   11.967   37.100   17.887   66.458   24.809 -29.35783 30.58470 
1 1 1   -9   20    4 f  688.813   12.820  1284.51   47.719   0.0000   0.0000  1284.51   47.719  ?   ?   688.813   12.820      ?      ? 
1 1 1   -9   20    5 o  404.511   9.8248  442.631   21.476   0.0000   0.0000  442.631   21.476  ?   ?   404.511   9.8248      ?      ? 
1 1 1   -9   20    8 o  233.118   7.5630  146.959   9.5213  154.359   13.638  139.922   13.299  238.844   10.567  227.392   10.823 11.45184 15.12607 
1 1 1   -9   20    9 o  443.252   7.0868  531.468   16.971  517.852   23.846  545.445   24.159  437.496   10.087  449.009   9.9572 -11.51245 14.17354 
1 1 1   -9   20   10 o  121.311   11.930   39.919   7.8186   41.088   11.085   38.762   11.029  123.085   16.667  119.538   17.075 3.546974 23.86059 
1 1 1   -9   20   11 o  627.248   8.5307  1064.56   28.905  1042.26   40.264  1088.26   41.521  620.482   12.009  634.015   12.119 -13.53320 17.06150 
1 1 1   -9   20   13 o  639.919   8.6314  1108.58   29.845  1095.79   42.004  1121.62   42.415  636.190   12.218  643.648   12.195 -7.457825 17.26289 
1 1 1   -9   20   14 o  690.314   12.857  1290.57   47.960   0.0000   0.0000  1290.57   47.960  ?   ?   690.314   12.857      ?      ? 
1 1 1   -9   20   15 o  1270.74   15.467  4392.07  106.146  4303.98  147.085  4487.80  153.338  1257.56   21.645  1283.93   22.101 -26.37500 30.93495 
1 1 1   -9   20   16 o  574.844   11.429  894.798   35.502   0.0000   0.0000  894.798   35.502  ?   ?   574.844   11.429      ?      ? 
1 1 1   -9   20   17 o  596.581   11.594  963.935   37.376   0.0000   0.0000  963.935   37.376  ?   ?   596.581   11.594      ?      ? 
1 1 1   -9   20   18 o  542.439   11.011  796.731   32.275   0.0000   0.0000  796.731   32.275  ?   ?   542.439   11.011      ?      ? 
1 1 1   -9   20   19 o  757.173   13.735  1554.38   56.198   0.0000   0.0000  1554.38   56.198  ?   ?   757.173   13.735      ?      ? 
1 1 1   -9   20   20 o  589.142   11.468  940.252   36.509   0.0000   0.0000  940.252   36.509  ?   ?   589.142   11.468      ?      ? 
1 1 1   -9   20   21 o  490.116   10.333  650.620   27.365   0.0000   0.0000  650.620   27.365  ?   ?   490.116   10.333      ?      ? 
1 1 1   -9   20   22 f  197.646   8.4007  106.752   8.8814   98.978   13.244  113.104   11.972  190.998   12.833  204.295   10.845 -13.29726 16.80138 
1 1 1   -9   20   23 o  729.035   9.4859  1441.89   37.355  1406.31   51.964  1479.93   53.737  719.750   13.361  738.320   13.469 -18.56940 18.97178 
1 1 1   -9   20   24 o  240.540   7.4395  156.603   9.6347  159.152   14.297  154.483   13.040  242.302   10.920  238.778   10.107 3.523758 14.87894 
1 1 1   -9   20   25 o  244.128   10.849  164.809   13.986  147.658   21.546  177.297   18.386  232.763   17.131  255.494   13.318 -22.73111 21.69829 
1 1 1   -9   20   26 o  194.723   12.027  100.604   12.318  115.495   20.375   92.027   15.464  205.620   18.338  183.825   15.567 21.79486 24.05467 
1 1 1   -9   20   27 o  580.089   11.540  918.179   36.156  880.180   50.866  956.982   51.402  567.868   16.577  592.309   16.060 -24.44110 23.08037 
1 1 1   -9   20   28 o  187.131   8.3525   94.947   8.4316  103.086   12.216   87.542   11.652  194.792   11.606  179.470   12.015 15.32167 16.70494 
1 1 1   -9   20   29 o   68.795   17.650   11.002   8.2797   11.283   10.433   10.525   13.608   67.226   23.412   70.365   26.418 -3.138893 35.29934 
1 1 1   -9   20   30 o   51.595   16.423  -6.2240   9.6125  -3.6554   12.749  -9.6081   14.633   52.001   23.002   51.190   23.448 0.8106308 32.84675 
1 1 1   -9   20   31 f  452.063   9.8097  557.677   23.950  549.775   33.232  566.216   34.547  448.790   13.703  455.336   14.041 -6.545959 19.61943 
1 1 1   -9   20   32 o  361.853   9.2321  356.703   18.020  344.369   24.615  370.946   26.451  355.195   12.825  368.510   13.283 -13.31516 18.46416 
1 1 1   -9   20   33 o  224.312   9.7830  136.864   11.804  130.270   15.814  145.158   17.737  218.328   13.405  230.295   14.253 -11.96706 19.56593 
1 1 1   -9   20   34 o  218.572   8.1349  130.800   9.2701  128.040   15.174  132.443   11.709  216.461   12.973  220.683   9.8192 -4.222366 16.26976 
1 1 1   -9   20   35 o  181.385   7.8921   89.356   7.6926   93.341   11.601   86.229   10.277  184.907   11.610  177.862   10.693 7.045120 15.78411 
1 1 1   -9   20   36 o  195.210   7.4031  104.018   7.7768  103.235   11.510  104.675   10.549  194.445   10.954  195.974   9.9615 -1.528748 14.80625 
1 1 1   -9   20   37 o  167.263   8.3627   76.554   7.4993   76.928   11.346   76.264   9.9932  167.490   12.537  167.037   11.071 0.4534302 16.72549 
1 1 1   -9   20   38 o  157.795   8.6161   68.775   7.2838   63.471   10.759   73.263   9.8969  151.955   13.102  163.635   11.193 -11.67999 17.23222 
1 1 1   -9   20   39 o  101.187   13.217   30.868   6.8090   20.949   10.302   38.561   9.0732   84.234   22.288  118.141   14.213 -33.90764 26.43406 
1 1 1   -9   20   40 o  272.259   6.5209  203.425   9.5466  187.077   13.797  218.442   13.223  261.536   9.7626  282.981   8.6475 -21.44528 13.04174 
1 1 1   -9   20   41 o  210.139   6.9598  120.973   7.8359  120.433   11.861  121.391   10.438  209.538   10.475  210.739   9.1665 -1.201599 13.91953 
1 1 1   -9   20   42 o  148.489   11.899   60.826   9.5474   0.0000   0.0000   60.826   9.5474  ?   ?   148.489   11.899      ?      ? 
1 1 1   -9   20   43 o   76.461   17.934   15.240   8.1804   11.263   9.8201   24.257   14.787   64.443   22.697   88.479   27.773 -24.03657 35.86779 
1 1 1   -9   20   44 o  172.899   8.0962   83.710   7.4573   75.014   11.136   90.780   10.041  164.248   12.547  181.549   10.235 -17.30132 16.19237 
1 1 1   -9   20   45 f   89.513   14.860   26.230   6.9166   17.054   12.625   30.166   8.2679   75.582   25.779  103.444   14.791 -27.86200 29.72060 
1 1 1   -9   20   46 o   89.738   13.396   26.008   6.4655   13.119   9.8730   35.685   8.5551   66.984   22.797  112.491   14.074 -45.50729 26.79148 
1 1 1   -9   20   47 o   53.626   14.985   5.9108   6.3779   5.9495   9.7159   5.8815   8.4544   54.708   21.822   52.544   20.542 2.163921 29.96977 
1 1 1   -9   20   48 o  138.978   9.3671   54.478   6.9592   54.760   10.644   54.268   9.1970  138.856   14.186  139.100   12.236 -0.2444611 18.73413 
1 1 1   -9   20   49 o  137.301   9.7282   53.074   7.1523   57.460   11.026   49.888   9.3975  141.831   14.387  132.772   13.098 9.058929 19.45648 
1 1 1   -9   20   50 o  103.723   12.641   33.383   6.5240   27.881   10.608   36.730   8.2736   93.890   21.387  113.556   13.483 -19.66643 25.28279 
1 1 1   -9   20   51 o  114.132   12.241   41.676   6.7264   26.901   10.427   52.207   8.8032   92.159   21.355  136.105   11.970 -43.94531 24.48109 
1 1 1   -9   20   52 o   42.783   13.551  -4.0585   6.5418   4.0874   10.225  -9.7040   8.5121   51.518   21.656   34.048   16.294 17.47065 27.10107 
1 1 1   -9   20   53 o  137.449   10.016   55.123   7.3068   52.454   11.250   57.071   9.6094  133.568   15.587  141.331   12.583 -7.763611 20.03206 
1 1 1   -9   20   54 o  136.423   10.145   54.977   7.3779   54.433   11.327   55.378   9.7234  134.835   15.546  138.012   13.038 -3.177734 20.28988 
1 1 1   -9   20   55 o   69.989   15.618   16.495   6.9851   10.069   10.433   21.715   9.4039   59.112   22.899   80.867   21.245 -21.75485 31.23664 
1 1 1   -9   20   56 o   55.619   16.724   0.8570   7.9701   18.667   15.792  -5.2299   9.2322   72.379   28.136   38.859   18.088 33.51960 33.44882 
1 1 1   -9   20   57 o   45.661   15.306  -4.2207   9.3815  -0.7131   16.500  -5.8964   11.404   50.548   23.740   40.775   19.327 9.773071 30.61281 
1 1 1   -9   20   58 o   64.526   18.364   11.194   9.6824   28.288   16.730   2.5856   11.873   79.710   29.417   49.343   21.991 30.36664 36.72817 
1 1 1   -9   20   59 o   42.564   13.771  -1.1180   7.0782   4.2277   10.786  -5.1614   9.3807   47.854   21.163   37.275   17.627 10.57899 27.54258 
1 1 1   -9   21    2 o  257.040   7.3798  177.493   10.213  196.233   15.218  162.134   13.777  269.296   10.458  244.784   10.416 24.51198 14.75964 
1 1 1   -9   21    3 o  327.765   7.0353  289.942   12.445  309.331   18.101  272.562   17.138  338.133   9.9065  317.397   9.9922 20.73593 14.07065 
1 1 1   -9   21    4 o  930.643   11.681  2348.67   58.738  2324.99   82.491  2373.02   83.657  925.893   16.488  935.394   16.551 -9.501770 23.36175 
1 1 1   -9   21    6 o  226.341   7.7824  137.377   9.4708  157.396   14.143  121.102   12.752  241.158   10.853  211.524   11.157 29.63406 15.56472 
1 1 1   -9   21    7 o  517.906   7.7074  725.912   21.564  728.228   30.887  723.709   30.119  518.702   11.020  517.110   10.779 1.592041 15.41489 
1 1 1   -9   21    8 o  185.856   12.546   93.553   12.600   93.553   12.600   0.0000   0.0000  185.856   12.546  ?   ?       ?      ? 
1 1 1   -9   21    9 o  384.364   7.0018  399.491   14.529  406.429   21.074  393.206   20.058  387.532   10.064  381.196   9.7376 6.336395 14.00356 
1 1 1   -9   21   10 o  462.512   10.423  579.035   26.049   0.0000   0.0000  579.035   26.049  ?   ?   462.512   10.423      ?      ? 
1 1 1   -9   21   11 o  368.369   9.8916  367.262   19.690  367.262   19.690   0.0000   0.0000  368.369   9.8916  ?   ?       ?      ? 
1 1 1   -9   21   12 o  365.555   9.6970  361.662   19.155   0.0000   0.0000  361.662   19.155  ?   ?   365.555   9.6970      ?      ? 
1 1 1   -9   21   13 o  211.919   11.718  121.640   13.418   0.0000   0.0000  121.640   13.418  ?   ?   211.919   11.718      ?      ? 
1 1 1   -9   21   14 o  712.646   9.3765  1375.23   36.089  1335.87   50.054  1417.83   52.081  702.050   13.194  723.242   13.326 -21.19238 18.75298 
1 1 1   -9   21   15 o  455.488   7.2527  561.556   17.849  550.255   25.065  573.183   25.423  450.836   10.289  460.139   10.225 -9.302612 14.50538 
1 1 1   -9   21   16 o  183.028   8.9753   89.847   8.8251  104.165   13.229   78.366   11.846  196.038   12.488  170.019   12.894 26.01932 17.95050 
1 1 1   -9   21   17 o  394.407   6.9287  421.008   14.758  427.084   21.289  415.387   20.478  397.134   9.9205  391.680   9.6753 5.454559 13.85738 
1 1 1   -9   21   18 o  304.222   6.7974  250.742   11.167  239.875   15.782  261.635   15.802  297.604   9.8140  310.840   9.4076 -13.23569 13.59479 
1 1 1   -9   21   19 o   97.219   15.313   26.834   7.8685   22.040   10.977   31.901   11.285   88.088   22.863  106.351   20.378 -18.26305 30.62604 
1 1 1   -9   21   20 o   52.513   15.624   0.6579   7.5198   3.2100   11.320  -1.3575   10.060   56.780   23.225   48.247   20.905 8.533451 31.24771 
1 1 1   -9   21   21 o  367.735   6.8607  366.341   13.624  366.314   19.625  366.366   18.929  367.704   9.8768  367.766   9.5250 -0.6170654E-01 13.72142 
1 1 1   -9   21   22 o  519.700   9.6379  729.603   25.093  745.045   45.082  722.672   30.204  523.129   15.948  516.271   10.827 6.857666 19.27588 
1 1 1   -9   21   23 o  338.662   10.256  311.059   18.432  317.117   29.063  306.982   23.841  341.201   15.763  336.123   13.126 5.078003 20.51261 
1 1 1   -9   21   24 o  312.023   10.442  260.672   17.188  285.360   27.986  245.721   21.779  323.466   16.011  300.580   13.409 22.88623 20.88435 
1 1 1   -9   21   25 o  286.440   14.567  223.581   22.548   0.0000   0.0000  223.581   22.548  ?   ?   286.440   14.567      ?      ? 
1 1 1   -9   21   26 o  474.330   8.9669  608.687   21.854  601.154   26.935  623.198   37.386  470.556   10.593  478.105   14.471 -7.549408 17.93370 
1 1 1   -9   21   27 o  285.757   9.1777  222.566   14.149  226.577   19.573  218.176   20.477  288.528   12.554  282.986   13.391 5.541718 18.35550 
1 1 1   -9   21   28 o  323.318   9.2449  284.922   16.151  287.162   22.781  282.658   22.901  324.614   12.987  322.021   13.161 2.593109 18.48984 
1 1 1   -9   21   29 o  241.912   9.5560  157.667   12.408  138.874   16.492  182.185   18.837  225.516   13.533  258.307   13.495 -32.79086 19.11192 
1 1 1   -9   21   30 o  238.865   9.6805  155.589   12.478  147.703   17.119  164.527   18.226  232.438   13.630  245.293   13.750 -12.85561 19.36100 
1 1 1   -9   21   31 o  253.109   8.2420  173.246   10.753  179.122   18.312  170.154   13.284  256.042   13.235  250.176   9.8263 5.865234 16.48409 
1 1 1   -9   21   32 o  119.430   11.126   39.476   7.1254   34.822   10.250   43.828   9.9124  112.419   16.873  126.441   14.508 -14.02263 22.25223 
1 1 1   -9   21   33 o  367.946   6.6477  368.767   13.198  347.067   18.716  390.229   18.613  357.084   9.6995  378.807   9.0931 -21.72284 13.29532 
1 1 1   -9   21   34 o   57.926   15.571   6.5285   6.7699   9.9754   10.166   3.7816   9.0751   63.856   23.027   51.997   20.968 11.85925 31.14293 
1 1 1   -9   21   35 o  270.771   9.4054  199.760   13.762   0.0000   0.0000  199.760   13.762  ?   ?   270.771   9.4054      ?      ? 
1 1 1   -9   21   36 o  348.847   9.0975  331.547   17.149   0.0000   0.0000  331.547   17.149  ?   ?   348.847   9.0975      ?      ? 
1 1 1   -9   21   37 o  209.264   7.3141  119.888   8.2547  116.317   11.940  123.159   11.425  206.185   10.716  212.344   9.9572 -6.159302 14.62821 
1 1 1   -9   21   38 o  130.708   10.600   49.088   7.2039   36.085   10.588   60.294   9.8295  113.442   17.273  147.975   12.293 -34.53201 21.20069 
1 1 1   -9   21   39 o   89.030   13.710   22.857   6.6951   34.059   9.8079   13.083   9.1618  110.243   16.464   67.817   21.927 42.42633 27.42007 
1 1 1   -9   21   40 o  177.224   8.0936   86.219   7.7379   91.177   11.350   81.914   10.577  181.941   11.545  172.507   11.346 9.433197 16.18719 
1 1 1   -9   21   41 o  260.843   9.2371  186.357   13.020   0.0000   0.0000  186.357   13.020  ?   ?   260.843   9.2371      ?      ? 
1 1 1   -9   21   42 o   59.806   17.168   3.5039   8.3110  -1.3432   10.043   14.036   14.804   46.593   20.523   73.019   27.527 -26.42615 34.33525 
1 1 1   -9   21   43 o   75.463   15.875   17.236   6.9120   17.404   10.525   17.108   9.1657   75.757   23.375   75.169   21.488 0.5874481 31.75081 
1 1 1   -9   21   44 o  183.416   9.2924   99.578   8.4794   78.221   14.178  111.472   10.580  165.749   15.830  201.084   9.7371 -35.33464 18.58471 
1 1 1   -9   21   45 o   54.067   14.247   5.5731   6.3176  -3.8578   9.5947   12.792   8.3941   42.553   19.297   65.582   20.966 -23.02953 28.49425 
1 1 1   -9   21   46 o   43.155   13.529  -1.4567   6.2653  -2.4160   9.2640  -0.6480   8.5055   43.069   19.293   43.241   18.970 -0.1715393 27.05736 
1 1 1   -9   21   47 o  103.320   12.300   31.583   6.6493   30.914   10.002   32.113   8.9009  100.973   19.030  105.666   15.589 -4.694008 24.59971 
1 1 1   -9   21   48 o  143.574   9.4205   60.145   7.0811   47.908   10.584   70.059   9.5272  128.932   15.192  158.217   11.144 -29.28464 18.84098 
1 1 1   -9   21   49 o  171.994   8.2253   83.966   7.5578   75.059   11.131   91.585   10.295  162.838   12.650  181.150   10.517 -18.31252 16.45052 
1 1 1   -9   21   50 o   60.370   14.997   10.518   6.4998   3.6535   10.163   15.269   8.4551   51.208   21.561   69.533   20.850 -18.32574 29.99332 
1 1 1   -9   21   51 o   58.853   15.154   8.3314   6.6097   16.747   10.090   2.0061   8.7479   71.552   22.998   46.155   19.740 25.39701 30.30812 
1 1 1   -9   21   52 o  150.064   9.3786   65.804   7.4498   60.307   11.417   69.881   9.8311  143.405   14.733  156.724   11.609 -13.31923 18.75715 
1 1 1   -9   21   53 o  123.278   10.988   45.118   7.1362   47.141   11.498   43.851   9.1013  124.220   17.129  122.336   13.768 1.884079 21.97655 
1 1 1   -9   21   54 o   63.041   14.911   11.993   7.0462  -0.3889   11.001   20.605   9.1751   47.128   21.075   78.953   21.101 -31.82488 29.82279 
1 1 1   -9   21   55 o   60.297   17.292   10.039   9.5904  -3.9324   16.742   16.863   11.700   51.785   24.190   68.809   24.716 -17.02335 34.58377 
1 1 1   -9   21   56 o   88.141   19.410   33.305   9.9832   35.878   17.433   32.050   12.178   85.672   30.233   90.609   24.350 -4.936165 38.81960 
1 1 1   -9   21   57 o  116.152   14.558   45.220   8.6700   28.810   11.578   66.171   13.082   87.504   23.838  144.799   16.719 -57.29498 29.11690 
1 1 1   -9   21   58 o   58.194   15.892   12.534   6.9800   14.478   11.034   11.237   9.0122   60.558   23.525   55.831   21.373 4.726334 31.78444 
1 1 1   -9   22    2 o  335.164   9.6663  304.022   17.507   0.0000   0.0000  304.022   17.507  ?   ?   335.164   9.6663      ?      ? 
1 1 1   -9   22    3 o  537.352   7.8456  781.578   22.776  760.115   31.881  803.952   32.550  529.816   11.136  544.888   11.055 -15.07227 15.69124 
1 1 1   -9   22    5 f  293.631   7.0180  232.105   11.102  209.834   15.121  258.146   16.351  278.427   10.050  308.835   9.7978 -30.40735 14.03598 
1 1 1   -9   22    6 o  171.720   9.4859   79.687   8.7099   64.864   11.937   96.566   12.738  154.656   14.283  188.784   12.486 -34.12828 18.97171 
1 1 1   -9   22    7 o  330.127   9.8299  294.983   17.535   0.0000   0.0000  294.983   17.535  ?   ?   330.127   9.8299      ?      ? 
1 1 1   -9   22    8 o  237.664   7.7143  153.361   9.8698  138.226   13.974  168.429   13.942  225.905   11.447  249.424   10.344 -23.51939 15.42869 
1 1 1   -9   22    9 o  299.785   7.2239  243.322   11.701  239.329   16.523  247.339   16.573  297.314   10.285  302.256   10.147 -4.942810 14.44783 
1 1 1   -9   22   10 o  118.234   12.545   38.192   7.9767   41.491   11.119   34.695   11.450  123.564   16.653  112.904   18.767 10.66054 25.09021 
1 1 1   -9   22   11 o  243.889   7.5619  161.261   9.9571  155.103   14.176  167.257   13.989  239.274   10.964  248.505   10.417 -9.230484 15.12379 
1 1 1   -9   22   12 o  134.252   11.501   49.231   8.3037   53.326   11.560   44.867   11.936  140.096   15.270  128.409   17.201 11.68697 23.00133 
1 1 1   -9   22   14 o  377.397   9.6993  385.764   19.780   0.0000   0.0000  385.764   19.780  ?   ?   377.397   9.6993      ?      ? 
1 1 1   -9   22   15 o  246.421   7.4367  164.633   9.8945  156.954   13.989  172.321   13.997  240.651   10.758  252.190   10.271 -11.53981 14.87345 
1 1 1   -9   22   16 o   93.457   15.526   25.523   7.8010   18.185   11.650   31.488   10.504   81.059   24.512  105.856   19.064 -24.79676 31.05266 
1 1 1   -9   22   17 o  271.910   7.2711  200.232   10.641  176.975   14.790  225.194   15.323  255.516   10.712  288.305   9.8354 -32.78868 14.54225 
1 1 1   -9   22   18 o   61.245   16.245   7.0139   7.5677   1.3458   11.071   11.985   10.368   53.843   22.578   68.647   23.362 -14.80404 32.48919 
1 1 1   -9   22   19 o  196.157   20.825  105.405   22.074  105.405   22.074   0.0000   0.0000  196.157   20.825  ?   ?       ?      ? 
1 1 1   -9   22   20 o   94.597   19.159   15.949   13.893 -19.1329   19.594   51.419   19.702   55.462   25.991  133.732   28.154 -78.26968 38.31734 
1 1 1   -9   22   21 o  224.347   20.797  138.243   25.212  138.243   25.212   0.0000   0.0000  224.347   20.797  ?   ?       ?      ? 
1 1 1   -9   22   23 o  294.870   9.3298  236.801   14.830  238.063   20.316  235.360   21.699  295.792   12.711  293.948   13.661 1.843933 18.65957 
1 1 1   -9   22   24 o  428.077   9.7249  499.460   22.493  510.360   31.942  488.739   31.679  432.735   13.660  423.419   13.846 9.315948 19.44990 
1 1 1   -9   22   25 o  655.803   12.439  1176.84   43.982  1132.66   59.821  1228.83   64.887  642.652   17.226  668.954   17.950 -26.30157 24.87871 
1 1 1   -9   22   26 o  280.659   9.3671  215.135   14.179  231.306   20.116  199.167   19.989  291.246   12.782  270.071   13.697 21.17447 18.73421 
1 1 1   -9   22   27 o   59.184   16.808   5.0435   8.2170   1.3209   13.056   7.4851   10.574   57.520   24.340   60.849   23.185 -3.329590 33.61533 
1 1 1   -9   22   28 o  221.772   7.6031  134.096   9.0832  130.624   13.279  137.148   12.452  218.998   11.221  224.547   10.262 -5.549316 15.20624 
1 1 1   -9   22   29 o  185.538   8.2988   93.323   8.2928  100.568   12.357   87.385   11.186  192.028   11.908  179.049   11.562 12.97940 16.59761 
1 1 1   -9   22   30 o  307.737   9.2500  257.483   15.382   0.0000   0.0000  257.483   15.382  ?   ?   307.737   9.2500      ?      ? 
1 1 1   -9   22   31 o  365.685   6.7517  364.303   13.323  358.390   19.263  369.727   18.448  362.756   9.8268  368.613   9.2616 -5.857086 13.50342 
1 1 1   -9   22   32 o  275.989   6.8844  208.262   10.233  193.857   14.711  221.766   14.243  266.594   10.212  285.384   9.2358 -18.79059 13.76881 
1 1 1   -9   22   33 o  188.080   8.0799   97.529   8.0238   72.674   11.148  124.246   11.558  162.748   12.676  213.411   10.023 -50.66283 16.15977 
1 1 1   -9   22   34 o   88.314   14.666   22.475   6.9168   28.488   10.305   17.544   9.3309   99.085   19.938   77.544   21.513 21.54092 29.33102 
1 1 1   -9   22   35 o  162.141   8.9243   72.049   7.8055   77.475   11.425   67.300   10.689  167.851   12.596  156.430   12.645 11.42047 17.84861 
1 1 1   -9   22   36 f  157.677   9.0800   68.800   7.7109   64.247   11.091   73.060   10.728  152.450   13.464  162.903   12.187 -10.45308 18.15998 
1 1 1   -9   22   37 o  213.559   7.3089  124.450   8.4139  133.906   12.435  116.465   11.427  220.983   10.414  206.135   10.259 14.84839 14.61784 
1 1 1   -9   22   38 o  205.332   7.4223  116.216   8.1998  107.349   11.826  124.428   11.380  197.572   11.077  213.091   9.8828 -15.51851 14.84455 
1 1 1   -9   22   39 o   79.850   14.898   18.291   6.7801   27.562   10.220   11.004   9.0608   96.328   20.277   63.372   21.832 32.95577 29.79562 
1 1 1   -9   22   40 o  111.502   12.501   37.790   6.9357   27.116   10.590   45.807   9.1777   94.803   21.204  128.200   13.248 -33.39738 25.00249 
1 1 1   -9   22   41 o   87.135   17.783   21.963   8.4602   17.958   10.314   30.203   14.792   76.855   23.024   97.415   27.108 -20.56044 35.56591 
1 1 1   -9   22   42 o   77.921   15.830   20.222   8.0027   28.064   9.6739   3.2207   14.244   96.871   19.159   58.970   25.204 37.90134 31.65924 
1 1 1   -9   22   43 o  272.140   7.8398  207.267   10.870  200.225   18.595  210.923   13.398  267.337   12.872  276.943   8.9531 -9.605469 15.67951 
1 1 1   -9   22   44 o   88.133   13.585   22.409   6.7370   38.216   10.235   10.326   8.9487  115.333   16.424   60.934   21.644 54.39967 27.16987 
1 1 1   -9   22   45 o  131.592   10.811   52.272   7.2013   35.264   10.789   65.938   9.6708  109.638   18.211  153.546   11.656 -43.90788 21.62148 
1 1 1   -9   22   46 o  181.736   8.0741   92.961   7.8703   87.560   11.637   97.514   10.684  176.389   12.209  187.084   10.569 -10.69510 16.14816 
1 1 1   -9   22   47 o  147.810   9.2815   61.077   7.3539   71.337   11.259   53.443   9.7119  158.451   13.149  137.169   13.103 21.28107 18.56307 
1 1 1   -9   22   48 o  128.462   10.397   46.884   7.1433   51.690   11.092   43.477   9.3374  133.659   15.358  123.264   14.018 10.39466 20.79376 
1 1 1   -9   22   49 o   42.312   13.479  -8.0359   6.8053   5.8175   10.721 -17.3833   8.8068   54.508   22.484   30.116   14.874 24.39131 26.95831 
1 1 1   -9   22   50 o   59.918   15.823   10.086   6.7867   12.426   10.675   8.4976   8.7926   63.914   23.512   55.923   21.182 7.990852 31.64635 
1 1 1   -9   22   51 o  144.977   9.7179   61.905   7.5085   58.287   11.357   64.715   10.008  140.128   14.998  149.827   12.361 -9.698257 19.43581 
1 1 1   -9   22   52 o   64.420   15.954   12.822   6.8739   18.168   10.679   9.0397   8.9821   72.644   23.686   56.196   21.380 16.44764 31.90817 
1 1 1   -9   22   53 o  126.630   16.874   57.278   10.409   42.973   17.596   64.977   12.910  105.952   29.595  147.307   16.218 -41.35551 33.74792 
1 1 1   -9   22   54 f  104.342   18.174   44.387   10.349   36.847   17.895   48.176   12.686   88.358   30.668  120.325   19.511 -31.96710 36.34837 
1 1 1   -9   22   55 o  142.525   15.555   69.817   11.066   72.613   18.613   68.288   13.762  138.652   25.792  146.398   17.397 -7.745956 31.11027 
1 1 1   -9   22   56 o   44.861   14.015  -4.0820   7.2663   12.068   11.174 -15.9169   9.5651   58.359   23.360   31.362   15.491 26.99729 28.02972 
1 1 1   -9   23    1 o  203.903   11.609  112.724   12.791   0.0000   0.0000  112.724   12.791  ?   ?   203.903   11.609      ?      ? 
1 1 1   -9   23    3 o   68.506   16.360   11.398   7.4031   16.597   10.660   6.5549   10.289   77.539   23.448   59.474   22.821 18.06553 32.71967 
1 1 1   -9   23    4 o  214.181   8.1456  124.433   9.4196  122.648   13.543  126.106   13.110  212.675   11.784  215.687   11.249 -3.011597 16.29125 
1 1 1   -9   23    5 o  249.692   7.7295  169.274   10.405  156.564   14.751  181.859   14.679  240.317   11.359  259.068   10.485 -18.75093 15.45899 
1 1 1   -9   23    6 o  174.185   9.1066   82.159   8.5618   78.588   11.774   86.167   12.473  170.181   12.803  178.189   12.954 -8.008347 18.21317 
1 1 1   -9   23    7 o  319.931   7.0871  276.722   12.240  262.647   16.880  292.325   17.773  311.370   10.033  328.492   10.013 -17.12292 14.17419 
1 1 1   -9   23    8 o  315.029   7.0809  269.113   12.042  256.819   17.109  281.181   16.951  307.869   10.284  322.189   9.7361 -14.31967 14.16186 
1 1 1   -9   23   10 o  424.334   7.3243  487.473   16.785  467.161   23.355  509.177   24.141  415.193   10.410  433.475   10.307 -18.28204 14.64867 
1 1 1   -9   23   11 o  278.470   7.4804  210.171   11.256  211.454   16.005  208.917   15.833  279.308   10.604  277.632   10.554 1.676453 14.96073 
1 1 1   -9   23   12 o  245.571   14.013  163.874   18.595   0.0000   0.0000  163.874   18.595  ?   ?   245.571   14.013      ?      ? 
1 1 1   -9   23   13 o  284.488   8.4386  218.408   12.574  214.792   15.871  224.505   20.608  281.488   10.434  287.489   13.266 -6.000763 16.87724 
1 1 1   -9   23   14 f  221.879   9.3099  132.847   10.816  130.172   13.636  137.387   17.763  219.031   11.521  224.727   14.627 -5.696976 18.61982 
1 1 1   -9   23   15 o  155.278   12.794   65.906   10.690   66.194   14.494   65.563   15.832  155.730   17.223  154.825   18.924 0.9056244 25.58812 
1 1 1   -9   23   16 o  439.393   14.500  525.676   34.427   0.0000   0.0000  525.676   34.427  ?   ?   439.393   14.500      ?      ? 
1 1 1   -9   23   20 o  355.426   9.3603  344.764   17.924  354.955   24.651  333.333   26.109  361.137   12.632  349.716   13.816 11.42148 18.72056 
1 1 1   -9   23   21 o  251.632   9.5417  172.718   12.961  181.239   18.313  164.167   18.347  257.912   13.140  245.352   13.839 12.55957 19.08343 
1 1 1   -9   23   22 o  149.167   11.467   59.861   9.1597   70.766   14.089   51.879   12.055  160.720   16.223  137.613   16.211 23.10710 22.93442 
1 1 1   -9   23   24 o  319.030   9.5850  276.595   16.524   0.0000   0.0000  276.595   16.524  ?   ?   319.030   9.5850      ?      ? 
1 1 1   -9   23   25 o  394.801   9.7802  423.708   20.865   0.0000   0.0000  423.708   20.865  ?   ?   394.801   9.7802      ?      ? 
1 1 1   -9   23   26 o  219.048   7.8870  130.806   9.3259  124.255   13.209  137.317   13.169  213.528   11.448  224.568   10.852 -11.04002 15.77403 
1 1 1   -9   23   27 o   65.601   16.648   10.486   7.4984   10.370   10.945   10.589   10.293   65.844   23.871   65.359   23.214 0.4850769 33.29682 
1 1 1   -9   23   28 o  107.270   13.092   32.152   7.4009   36.612   10.994   28.455   10.008  114.968   17.696   99.572   19.298 15.39618 26.18316 
1 1 1   -9   23   30 o  272.119   10.118  202.004   14.877  202.004   14.877   0.0000   0.0000  272.119   10.118  ?   ?       ?      ? 
1 1 1   -9   23   31 o  210.398   10.652  120.947   12.110   0.0000   0.0000  120.947   12.110  ?   ?   210.398   10.652      ?      ? 
1 1 1   -9   23   32 o   60.100   15.735   7.4342   7.1146   1.6785   10.080   13.147   10.043   51.088   21.490   69.112   22.991 -18.02400 31.47081 
1 1 1   -9   23   33 o  124.888   14.221   43.139   9.5970   0.0000   0.0000   43.139   9.5970  ?   ?   124.888   14.221      ?      ? 
1 1 1   -9   23   34 o   46.786   14.096  -1.3528   6.6457  -8.1529   9.3857   5.4843   9.4112   38.831   18.130   54.742   21.590 -15.91095 28.19241 
1 1 1   -9   23   35 f  146.975   9.4471   60.740   7.3674   49.265   10.639   71.311   10.212  133.023   14.801  160.926   11.743 -27.90359 18.89412 
1 1 1   -9   23   36 o  227.322   9.8342  141.603   12.080   0.0000   0.0000  141.603   12.080  ?   ?   227.322   9.8342      ?      ? 
1 1 1   -9   23   37 o   84.890   15.167   21.334   6.9520   25.465   10.493   18.101   9.2814   92.058   21.485   77.721   21.414 14.33663 30.33450 
1 1 1   -9   23   38 o   65.098   15.707   11.579   6.7853   15.719   9.7137   7.6343   9.4821   72.568   22.467   57.629   21.956 14.93900 31.41418 
1 1 1   -9   23   39 o  171.016   8.3876   81.401   7.7064   78.029   11.378   84.260   10.475  167.458   12.574  174.574   11.105 -7.115784 16.77512 
1 1 1   -9   23   40 o  143.652   12.061   55.791   8.9800   48.056   10.974   71.464   15.622  130.108   15.609  157.196   18.391 -27.08820 24.12234 
1 1 1   -9   23   41 o   93.154   17.252   26.881   8.4853   25.458   10.491   29.572   14.429   90.831   21.676   95.477   26.846 -4.645943 34.50470 
1 1 1   -9   23   42 o  156.338   9.9540   66.405   8.0297   78.176   13.972   60.600   9.8117  165.484   15.625  147.192   12.336 18.29242 19.90796 
1 1 1   -9   23   43 o  146.166   12.162   59.896   9.6057   0.0000   0.0000   59.896   9.6057  ?   ?   146.166   12.162      ?      ? 
1 1 1   -9   23   44 o   51.873   14.112   1.8032   6.5543   13.946   9.5282  -9.1030   9.0301   67.513   22.391   36.233   17.181 31.28091 28.22347 
1 1 1   -9   23   45 o   46.701   13.956  -2.2679   6.6937   9.2024   9.9629 -11.7057   9.0372   59.136   22.512   34.266   16.500 24.86966 27.91103 
1 1 1   -9   23   46 o  218.121   7.3836  132.096   8.6565  138.490   13.042  127.063   11.573  222.547   10.845  213.696   10.022 8.851212 14.76721 
1 1 1   -9   23   47 f  161.400   9.0448   75.019   7.7800   66.132   11.486   82.554   10.576  151.635   14.017  171.164   11.434 -19.52913 18.08955 
1 1 1   -9   23   48 o   69.624   15.621   14.806   6.8992   22.491   10.306   8.5647   9.2874   82.622   22.483   56.626   21.693 25.99594 31.24189 
1 1 1   -9   23   49 o   74.209   15.643   17.438   7.0076   26.409   10.709   10.719   9.2670   88.831   22.334   59.586   21.909 29.24562 31.28565 
1 1 1   -9   23   50 o   57.415   15.655   8.7845   6.9744   14.153   10.537   4.5985   9.3043   65.219   23.452   49.610   20.743 15.60844 31.30977 
1 1 1   -9   23   51 o  112.094   17.237   46.855   9.0309   34.730   18.539   50.627   10.341   92.892   31.241  131.297   14.575 -38.40542 34.47372 
1 1 1   -9   23   52 o  119.683   17.770   51.656   10.347   47.703   19.049   53.311   12.323  107.802   31.027  131.565   17.334 -23.76349 35.54049 
1 1 1   -9   23   53 o   55.391   17.567   2.9924   9.8496   22.318   18.492  -4.6622   11.638   68.803   29.032   41.980   19.785 26.82299 35.13311 
1 1 1   -9   23   54 o  127.510   11.267   49.899   7.7182   55.234   11.709   45.800   10.263  133.120   16.278  121.900   15.581 11.21953 22.53305 
1 1 1   -9   23   55 f  123.256   13.326   54.371   7.8652   33.200   11.688   71.893   10.633   92.337   23.397  154.174   12.763 -61.83739 26.65140 
1 1 1   -9   24    1 o  147.592   11.868   57.736   9.3181   50.270   11.962   69.257   14.860  135.832   16.298  159.352   17.257 -23.51985 23.73637 
1 1 1   -9   24    2 o  559.685   10.854  852.041   32.812  873.198   47.311  832.432   45.545  566.345   15.459  553.025   15.241 13.31946 21.70885 
1 1 1   -9   24    3 f  343.787   8.8905  320.940   16.515  320.496   23.208  321.396   23.506  343.555   12.501  344.018   12.645 -0.4627686 17.78099 
1 1 1   -9   24    4 o  258.857   8.9790  181.836   12.554  187.995   18.064  176.081   17.460  263.093   12.706  254.621   12.690 8.471664 17.95795 
1 1 1   -9   24    5 o  267.765   8.9363  194.102   12.879  188.018   17.345  201.577   19.227  263.152   12.198  272.378   13.063 -9.225494 17.87256 
1 1 1   -9   24    6 o  328.042   8.8570  291.995   15.690  306.531   22.561  278.378   21.836  335.955   12.428  320.129   12.623 15.82550 17.71391 
1 1 1   -9   24    7 o  315.007   8.9822  269.703   15.280  280.405   21.614  259.009   21.606  321.291   12.449  308.722   12.951 12.56927 17.96446 
1 1 1   -9   24    8 o  483.555   9.9973  635.896   26.114  651.351   37.533  621.396   36.356  489.232   14.198  477.878   14.079 11.35345 19.99464 
1 1 1   -9   24    9 o  353.259   9.0746  338.753   17.306  349.549   25.157  329.054   23.843  358.569   12.984  347.948   12.681 10.62119 18.14917 
1 1 1   -9   24   10 o  399.786   9.3987  434.077   20.285  460.811   29.297  409.460   28.114  411.615   13.172  387.957   13.411 23.65866 18.79737 
1 1 1   -9   24   11 o   95.196   18.147   25.034   10.053   13.775   13.765   37.905   14.717   75.380   26.836  115.012   24.435 -39.63252 36.29404 
1 1 1   -9   24   12 f   39.043   19.223 -30.0000   14.333   0.0000   0.0000 -30.0000   14.333  ?   ?    39.043   19.223      ?      ? 
1 1 1   -9   24   14 o  298.650   16.640  243.919   26.854   0.0000   0.0000  243.919   26.854  ?   ?   298.650   16.640      ?      ? 
1 1 1   -9   24   15 o   61.857   27.875  -8.8266   19.660   0.0000   0.0000  -8.8266   19.660  ?   ?    61.857   27.875      ?      ? 
1 1 1   -9   24   16 o  206.176   11.147  107.681   11.471   95.583   13.509  138.941   21.715  187.291   13.348  225.061   17.855 -37.76956 22.29338 
1 1 1   -9   24   17 o  112.587   13.567   35.674   8.0039   38.560   10.990   32.414   11.679  118.586   17.151  106.588   21.025 11.99812 27.13307 
1 1 1   -9   24   18 o  268.371   10.263  195.711   14.884   0.0000   0.0000  195.711   14.884  ?   ?   268.371   10.263      ?      ? 
1 1 1   -9   24   19 o  289.869   7.2267  228.529   11.312  224.998   16.213  231.878   15.792  287.649   10.431  292.089   10.005 -4.439667 14.45348 
1 1 1   -9   24   20 o  247.449   7.7168  166.902   10.304  160.270   14.758  173.210   14.393  242.587   11.258  252.311   10.557 -9.723587 15.43354 
1 1 1   -9   24   21 o   57.686   16.097   4.7462   7.6748   9.6112   10.500  -0.8356   11.247   64.123   23.359   51.250   22.155 12.87307 32.19483 
1 1 1   -9   24   22 o  370.037   9.7804  372.243   19.556   0.0000   0.0000  372.243   19.556  ?   ?   370.037   9.7804      ?      ? 
1 1 1   -9   24   23 f  167.868   9.3144   76.997   8.4344   70.970   11.773   83.352   12.089  161.069   13.527  174.667   12.809 -13.59705 18.62881 
1 1 1   -9   24   24 o  214.528   7.8947  125.590   9.1444  128.494   12.777  122.540   13.093  217.120   10.890  211.936   11.433 5.184326 15.78948 
1 1 1   -9   24   25 o  162.436   13.234   72.314   11.616   0.0000   0.0000   72.314   11.616  ?   ?   162.436   13.234      ?      ? 
1 1 1   -9   24   26 o   84.039   15.378   19.948   7.6198   32.103   11.037   8.8779   10.533  105.527   20.089   62.550   23.290 42.97700 30.75681 
1 1 1   -9   24   29 o  194.464   8.2417  103.505   8.6519  110.187   12.434   97.233   12.047  200.584   11.472  188.343   11.837 12.24081 16.48342 
1 1 1   -9   24   30 o  188.974   8.2132   98.409   8.3393   92.472   12.223  103.579   11.406  183.437   12.331  194.511   10.852 -11.07333 16.42646 
1 1 1   -9   24   31 o  239.225   9.9847  156.568   12.907   0.0000   0.0000  156.568   12.907  ?   ?   239.225   9.9847      ?      ? 
1 1 1   -9   24   32 o  248.099   7.2412  168.859   9.6966  161.844   13.833  175.637   13.596  242.924   10.538  253.274   9.9342 -10.34926 14.48240 
1 1 1   -9   24   33 o   67.070   15.804   11.822   7.0053   18.128   10.188   6.1679   9.6476   78.071   22.755   56.070   21.937 22.00097 31.60767 
1 1 1   -9   24   34 o  138.039   10.572   52.669   7.8439   60.103   11.787   46.760   10.509  146.715   14.867  129.362   15.034 17.35335 21.14331 
1 1 1   -9   24   35 o   61.794   14.799   8.6463   6.9814  -3.8146   10.534   18.405   9.3226   45.348   20.423   78.241   21.423 -32.89292 29.59754 
1 1 1   -9   24   36 f  332.934   6.8353  304.964   12.281  289.144   17.453  320.480   17.284  324.197   9.9623  341.670   9.3615 -17.47321 13.67060 
1 1 1   -9   24   37 o   55.014   15.613   5.4353   7.1013   3.9739   10.261   6.7785   9.8377   53.368   22.003   56.659   22.157 -3.291553 31.22542 
1 1 1   -9   24   38 o   57.898   14.992   4.9711   7.0271   16.939   10.381  -5.1498   9.5468   74.483   23.254   41.314   18.930 33.16868 29.98445 
1 1 1   -9   24   39 o   98.659   17.130   30.140   8.7726   28.637   10.899   32.905   14.783   96.558   21.447  100.760   26.717 -4.201851 34.25986 
1 1 1   -9   24   40 o   97.846   17.015   30.765   8.7905   32.432   11.108   27.973   14.379  103.153   20.648   92.539   27.050 10.61418 34.03065 
1 1 1   -9   24   41 o  188.367   9.3779  103.645   9.1183   84.865   14.334  116.410   11.817  172.111   15.413  204.622   10.688 -32.51102 18.75573 
1 1 1   -9   24   42 o   90.359   15.035   26.168   7.3211   19.483   10.787   31.877   9.9687   78.050   23.583  102.667   18.656 -24.61662 30.07009 
1 1 1   -9   24   43 o  176.607   8.6037   87.871   8.1865   88.831   12.071   87.054   11.140  177.230   12.604  175.984   11.715 1.245743 17.20741 
1 1 1   -9   24   44 o  159.811   9.1797   72.240   7.8992   75.011   11.755   69.958   10.667  162.348   13.399  157.273   12.551 5.075150 18.35946 
1 1 1   -9   24   45 o  148.609   9.7259   62.955   7.7812   66.721   11.623   59.896   10.475  152.394   14.114  144.824   13.385 7.569229 19.45185 
1 1 1   -9   24   46 o   51.877   15.155   2.7837   7.2023   11.065   10.898  -3.6389   9.5971   62.021   23.560   41.733   19.069 20.28847 30.31009 
1 1 1   -9   24   47 o   49.476   14.846   2.6021   6.8183   7.0635   10.797  -0.3571   8.7935   55.790   22.735   43.162   19.097 12.62779 29.69131 
1 1 1   -9   24   48 o   65.598   15.895   14.390   6.9842   10.275   10.304   17.889   9.4996   58.827   22.766   72.370   22.187 -13.54274 31.78914 
1 1 1   -9   24   49 f   46.766   15.753 -10.1513   8.7553   2.4775   18.108 -14.0042   10.002   58.967   26.646   34.564   16.812 24.40230 31.50622 
1 1 1   -9   24   50 o   59.881   18.338   7.0071   10.290   7.3649   18.778   6.8536   12.302   63.185   27.934   56.578   23.767 6.606544 36.67665 
1 1 1   -9   24   51 f   89.202   19.930   34.398   10.498   36.441   18.771   33.468   12.663   85.552   31.223   92.853   24.778 -7.301270 39.85975 
1 1 1   -9   24   52 o   72.012   16.378   19.588   7.6130   13.306   11.329   24.762   10.280   61.489   23.851   82.535   22.454 -21.04606 32.75690 
1 1 1   -9   24   53 o   73.011   15.918   20.726   7.4350   12.825   11.051   27.260   10.050   59.486   23.416   86.536   21.568 -27.04994 31.83570 
1 1 1   -9   25    2 o  232.139   11.056  146.385   13.868   0.0000   0.0000  146.385   13.868  ?   ?   232.139   11.056      ?      ? 
1 1 1   -9   25    3 o  287.158   7.2124  223.813   11.191  224.413   15.934  223.229   15.720  287.530   10.255  286.785   10.144 0.7450867 14.42476 
1 1 1   -9   25    4 o  289.960   7.2077  228.442   11.282  220.555   16.125  236.005   15.790  285.015   10.470  294.904   9.9086 -9.888519 14.41541 
1 1 1   -9   25    5 o  169.514   12.937   78.224   11.850   78.224   11.850   0.0000   0.0000  169.514   12.937  ?   ?       ?      ? 
1 1 1   -9   25    6 o  136.136   11.254   50.511   8.2249   43.022   11.317   58.897   11.975  125.390   16.702  146.882   15.087 -21.49181 22.50739 
1 1 1   -9   25    8 o  242.102   12.677  172.770   13.274  140.495   27.930  182.187   15.087  225.242   22.948  258.962   10.781 -33.72029 25.35406 
1 1 1   -9   25    9 o  200.573   15.722  112.050   16.758  106.802   25.801  115.878   22.039  196.012   24.360  205.134   19.882 -9.121979 31.44331 
1 1 1   -9   25   10 o  218.758   14.228  132.498   16.563  128.378   25.521  135.495   21.772  215.399   21.926  222.116   18.139 -6.716675 28.45674 
1 1 1   -9   25   11 o  180.070   19.490  103.360   16.478   57.117   25.876  134.910   21.373  138.518   34.655  221.622   17.847 -83.10382 38.98090 
1 1 1   -9   25   12 o  191.715   15.585   99.327   15.849  115.721   25.552   89.077   20.205  203.977   23.183  179.454   20.837 24.52290 31.17050 
1 1 1   -9   25   13 f  304.163   7.3480  251.300   12.072  260.367   17.367  242.823   16.792  309.468   10.385  298.858   10.398 10.61014 14.69593 
1 1 1   -9   25   14 o  273.766   7.3159  203.958   10.815  199.125   15.475  208.571   15.119  270.553   10.585  276.980   10.102 -6.426697 14.63172 
1 1 1   -9   25   15 o  351.803   7.0722  336.760   13.432  329.420   19.281  343.681   18.723  348.019   10.253  355.586   9.7441 -7.566742 14.14435 
1 1 1   -9   25   16 o   66.066   23.586   10.659   10.640   10.659   10.640   0.0000   0.0000   66.066   23.586  ?   ?       ?      ? 
1 1 1   -9   25   17 o  187.718   8.7671   96.254   8.8813   98.937   12.363   93.393   12.767  190.480   12.011  184.955   12.774 5.525269 17.53422 
1 1 1   -9   25   18 o  180.011   9.1666   88.549   8.9127   85.773   12.625   91.306   12.584  177.163   13.188  182.858   12.735 -5.694733 18.33322 
1 1 1   -9   25   19 o  295.431   7.1608  236.305   11.400  215.098   15.543  261.002   16.773  281.134   10.231  309.728   10.022 -28.59439 14.32151 
1 1 1   -9   25   20 o  297.420   7.1792  241.088   11.525  234.110   16.542  247.671   16.066  293.168   10.442  301.673   9.8555 -8.504761 14.35842 
1 1 1   -9   25   21 o   80.444   15.950   17.892   7.7366   28.185   11.218   8.5537   10.684   98.490   21.666   62.398   23.412 36.09231 31.89926 
1 1 1   -9   25   22 o  148.602   10.232   61.230   8.0626   47.332   11.272   75.790   11.537  130.913   15.934  166.292   12.839 -35.37816 20.46329 
1 1 1   -9   25   23 o  176.995   9.3046   85.813   8.8831   78.910   12.282   93.385   12.863  169.493   13.410  184.497   12.902 -15.00380 18.60926 
1 1 1   -9   25   24 o  126.831   11.809   44.665   8.0854   46.446   11.364   42.840   11.506  129.483   16.242  124.179   17.147 5.304222 23.61817 
1 1 1   -9   25   25 o  210.961   11.092  121.721   12.645   0.0000   0.0000  121.721   12.645  ?   ?   210.961   11.092      ?      ? 
1 1 1   -9   25   26 o  114.087   12.994   36.588   7.8133   41.479   11.593   32.516   10.576  121.941   17.594  106.234   19.128 15.70687 25.98842 
1 1 1   -9   25   27 o  274.490   7.0547  205.619   10.447  189.910   14.524  222.463   15.039  263.570   10.197  285.410   9.7512 -21.83945 14.10938 
1 1 1   -9   25   28 o   79.649   16.041   18.039   7.6757   27.392   11.160   9.6419   10.574   96.069   21.974   63.228   23.376 32.84093 32.08274 
1 1 1   -9   25   29 o  146.935   10.715   62.512   7.9243   37.155   11.168   88.228   11.246  114.786   18.004  179.083   11.622 -64.29704 21.42947 
1 1 1   -9   25   30 o  263.624   7.1449  190.534   10.174  185.972   14.452  195.017   14.326  260.433   10.270  266.815   9.9366 -6.382019 14.28980 
1 1 1   -9   25   31 o  143.837   10.053   57.872   7.7586   54.359   11.442   60.861   10.556  139.483   15.181  148.192   13.182 -8.709244 20.10569 
1 1 1   -9   25   32 o  112.976   13.557   38.091   7.8200   27.155   11.278   48.217   10.853   94.806   22.375  131.146   15.314 -36.34022 27.11353 
1 1 1   -9   25   33 o  344.969   6.9286  327.142   12.909  321.735   18.443  332.335   18.076  342.067   9.9778  347.872   9.6158 -5.805084 13.85716 
1 1 1   -9   25   34 o  288.139   9.5887  228.161   14.930   0.0000   0.0000  228.161   14.930  ?   ?   288.139   9.5887      ?      ? 
1 1 1   -9   25   35 o  168.826   8.8595   78.889   8.0534   85.600   12.027   73.435   10.843  175.222   12.702  162.430   12.354 12.79199 17.71906 
1 1 1   -9   25   36 o  169.823   9.1026   81.007   8.3104   77.311   12.202   84.204   11.349  165.847   13.616  173.799   12.085 -7.952271 18.20521 
1 1 1   -9   25   37 o   69.852   16.216   14.716   7.1668   11.630   10.782   17.158   9.5930   65.019   23.673   74.684   22.167 -9.665276 32.43121 
1 1 1   -9   25   38 o  111.207   13.498   36.712   7.9382   35.113   11.207   38.322   11.246  107.712   19.990  114.703   18.144 -6.990509 26.99674 
1 1 1   -9   25   39 o  149.893   12.406   66.596   9.3639   68.960   11.515   61.982   16.089  156.057   13.655  143.729   20.716 12.32857 24.81126 
1 1 1   -9   25   40 f  170.852   9.9243   82.958   8.8805   83.874   14.447   82.401   11.259  170.520   15.679  171.184   12.171 -0.6647339 19.84860 
1 1 1   -9   25   41 o   91.515   16.348   26.319   7.8288   30.158   13.167   24.220   9.7369   95.312   25.186   87.718   20.849 7.593864 32.69558 
1 1 1   -9   25   42 o   49.504   14.883   1.4231   7.1289   6.8548   10.432  -3.3356   9.7645   56.163   22.539   42.845   19.443 13.31784 29.76693 
1 1 1   -9   25   43 f  187.104   8.4326   99.474   8.4589   91.638   12.416  106.263   11.556  179.573   12.795  194.635   10.988 -15.06241 16.86528 
1 1 1   -9   25   44 o   83.102   15.270   22.265   7.1970   30.927   10.462   14.484   9.9160   98.854   20.266   67.350   22.847 31.50410 30.54037 
1 1 1   -9   25   45 o  157.708   9.3931   72.191   7.9194   63.412   11.502   80.104   10.920  147.654   14.416  167.763   12.046 -20.10941 18.78621 
1 1 1   -9   25   46 o  121.751   12.583   46.868   7.7750   35.510   11.240   57.289   10.766  104.082   20.714  139.420   14.291 -35.33854 25.16515 
1 1 1   -9   25   47 o   64.250   17.869   12.765   8.7411   8.0946   17.439   14.332   10.102   62.631   27.328   65.869   23.032 -3.238319 35.73864 
1 1 1   -9   25   48 o  141.866   16.447   67.687   11.451   62.027   19.202   70.811   14.266  130.898   27.994  152.835   17.274 -21.93724 32.89456 
1 1 1   -9   25   49 o   41.427   14.036 -16.0624   10.005 -49.4369   17.574  -0.0600   12.169   35.216   17.868   47.638   21.652 -12.42199 28.07294 
1 1 1   -9   25   50 o   66.647   24.399   17.376   11.475   17.376   11.475   0.0000   0.0000   66.647   24.399  ?   ?       ?      ? 
1 1 1   -9   25   51 o   67.350   16.467   16.989   7.5083   12.697   11.107   20.602   10.189   60.383   23.562   74.316   23.011 -13.93239 32.93401 
1 1 1   -9   25   52 o   63.119   16.312   15.794   7.2075   15.953   11.204   15.682   9.4138   62.742   23.876   63.496   22.232 -0.7540779 32.62398 
1 1 1   -9   26    1 o  253.116   7.4552  172.094   9.4574  180.180   17.077  168.517   11.358  257.039   12.295  249.194   8.4350 7.844986 14.91035 
1 1 1   -9   26    2 o  222.445   8.0928  135.367   9.6397  113.737   13.544  157.576   13.723  204.221   12.273  240.669   10.553 -36.44786 16.18568 
1 1 1   -9   26    3 o  226.753   13.080  138.975   12.579  146.667   29.084  137.205   13.951  229.081   23.495  224.425   11.504 4.656250 26.16031 
1 1 1   -9   26    4 o  309.568   13.393  269.563   21.973  226.802   32.540  305.405   29.791  285.776   21.072  333.360   16.538 -47.58386 26.78677 
1 1 1   -9   26    5 o   92.848   22.532   21.355   15.509  -4.0405   24.953   37.342   19.798   73.355   32.327  112.342   31.397 -38.98688 45.06470 
1 1 1   -9   26    6 o  174.254   17.956   83.572   16.699   97.658   26.259   74.009   21.637  186.118   26.110  162.389   24.658 23.72858 35.91279 
1 1 1   -9   26    7 o  215.672   16.204  129.151   18.648  134.640   28.974  125.270   24.365  219.066   24.476  212.277   21.241 6.788437 32.40786 
1 1 1   -9   26    8 o  114.635   17.842   33.361   9.6343   27.985   11.060   50.270   19.616   98.540   21.385  130.729   28.566 -32.18848 35.68425 
1 1 1   -9   26    9 o  347.762   10.141  328.906   19.057   0.0000   0.0000  328.906   19.057  ?   ?   347.762   10.141      ?      ? 
1 1 1   -9   26   10 o   81.163   17.101   18.830   8.1115   21.119   11.043   16.149   11.953   85.514   23.275   76.811   25.061 8.703957 34.20198 
1 1 1   -9   26   11 f  191.479   8.9160  100.167   9.2147  102.188   12.812   98.001   13.263  193.537   12.251  189.421   12.957 4.115799 17.83199 
1 1 1   -9   26   12 f  148.569   15.039   60.535   12.074   0.0000   0.0000   60.535   12.074  ?   ?   148.569   15.039      ?      ? 
1 1 1   -9   26   13 o  243.872   7.7535  161.926   10.210  153.380   14.266  170.900   14.619  237.249   11.128  250.495   10.800 -13.24521 15.50702 
1 1 1   -9   26   14 o  316.026   10.186  271.873   17.394   0.0000   0.0000  271.873   17.394  ?   ?   316.026   10.186      ?      ? 
1 1 1   -9   26   15 o  146.901   10.527   59.320   8.3445   59.800   11.532   58.793   12.090  147.594   14.459  146.208   15.303 1.385391 21.05302 
1 1 1   -9   26   16 o  153.888   9.9726   64.950   8.2881   62.947   11.489   67.124   11.968  151.428   14.040  156.349   14.166 -4.921387 19.94520 
1 1 1   -9   26   17 o   68.813   16.844   12.396   7.6473   13.574   10.527   11.079   11.127   70.648   23.541   66.978   24.099 3.670616 33.68866 
1 1 1   -9   26   18 o   94.076   15.684   25.983   7.8405   27.281   10.783   24.526   11.421   96.788   21.204   91.365   23.115 5.422928 31.36724 
1 1 1   -9   26   19 o   58.671   16.202   6.4627   7.3835   6.7377   9.7700   6.0965   11.274   57.833   22.227   59.510   23.580 -1.676556 32.40431 
1 1 1   -9   26   20 o  280.171   7.2760  214.029   11.008  220.068   15.934  208.516   15.225  283.921   10.386  276.421   10.193 7.500183 14.55194 
1 1 1   -9   26   21 o  317.588   7.2009  276.226   12.316  255.175   17.641  296.239   17.201  305.582   10.683  329.593   9.6580 -24.01038 14.40178 
1 1 1   -9   26   22 o  173.194   9.4302   83.035   8.7694   74.646   12.642   90.814   12.175  164.496   14.223  181.891   12.387 -17.39487 18.86036 
1 1 1   -9   26   24 o  172.471   13.165   82.048   12.269   0.0000   0.0000   82.048   12.269  ?   ?   172.471   13.165      ?      ? 
1 1 1   -9   26   25 o   53.218   15.434   2.6327   7.3382   7.6740   10.299  -2.5656   10.458   59.640   22.845   46.796   20.760 12.84470 30.86828 
1 1 1   -9   26   26 o   64.315   16.196   10.475   7.2253   6.8509   10.209   14.113   10.228   58.140   22.616   70.491   23.190 -12.35177 32.39216 
1 1 1   -9   26   27 f  102.318   14.188   30.616   7.6571   24.041   10.764   37.353   10.895   89.539   22.324  115.097   17.518 -25.55867 28.37663 
1 1 1   -9   26   28 f   40.914   13.475  -8.2822   7.2602  -7.7046   10.357  -8.8401   10.180   41.600   19.295   40.227   18.814 1.372837 26.94919 
1 1 1   -9   26   29 o  181.153   8.7339   90.069   8.5134  101.089   12.717   81.121   11.460  191.122   12.314  171.184   12.389 19.93845 17.46770 
1 1 1   -9   26   30 o  154.515   10.252   68.059   8.3037   49.721   11.745   86.388   11.742  132.557   16.396  176.473   12.313 -43.91620 20.50490 
1 1 1   -9   26   31 o  238.535   7.5096  158.105   9.6029  140.259   13.875  174.516   13.304  225.143   11.404  251.927   9.7732 -26.78369 15.01915 
1 1 1   -9   26   32 o  202.226   8.1190  113.503   8.8546  109.034   12.755  117.660   12.301  198.186   11.911  206.267   11.037 -8.080383 16.23794 
1 1 1   -9   26   33 o   58.067   15.831   6.6729   7.4963  -0.7137   11.086   12.896   10.175   49.205   21.620   66.929   23.131 -17.72447 31.66221 
1 1 1   -9   26   34 o  121.133   12.042   42.151   7.8775   44.071   11.357   40.372   10.936  123.811   16.975  118.454   17.085 5.356598 24.08445 
1 1 1   -9   26   35 o  100.192   14.373   30.498   7.5157   30.537   10.616   30.459   10.642  100.277   20.289  100.107   20.365 0.1701126 28.74676 
1 1 1   -9   26   36 o  142.774   10.465   58.655   7.9710   52.305   11.778   64.020   10.827  134.863   16.162  150.684   13.297 -15.82083 20.92917 
1 1 1   -9   26   37 o   57.204   15.647   5.7407   7.4610   14.425   10.714  -2.4370   10.397   68.981   23.741   45.427   20.388 23.55386 31.29398 
1 1 1   -9   26   38 o  111.187   16.083   42.624   9.1038   52.025   11.450   26.464   15.011  134.140   15.796   88.235   28.019 45.90472 32.16500 
1 1 1   -9   26   39 o   57.949   15.227  -1.6781   7.8692   22.511   12.611 -17.1038   10.070   82.278   25.620   33.621   16.464 48.65656 30.45388 
1 1 1   -9   26   40 o  232.326   8.5654  154.209   10.317  144.234   16.825  160.220   13.061  224.726   13.856  239.925   10.074 -15.19870 17.13078 
1 1 1   -9   26   41 o   81.265   16.415   21.658   7.5689   22.844   10.890   20.549   10.527   83.343   23.283   79.186   23.145 4.156731 32.82973 
1 1 1   -9   26   42 o  195.730   8.6177  109.232   9.0822  102.851   13.120  115.103   12.585  189.727   12.798  201.734   11.545 -12.00722 17.23534 
1 1 1   -9   26   43 o   68.703   16.852   15.400   7.6530   14.447   10.998   16.295   10.656   67.126   23.978   70.280   23.685 -3.154594 33.70400 
1 1 1   -9   26   44 o   39.926   13.231  -6.9315   7.1839  -2.7270   10.569 -10.5421   9.7942   43.775   20.005   36.076   17.321 7.698769 26.46190 
1 1 1   -9   26   45 o   89.629   19.605   29.119   9.6181   32.320   19.930   28.147   10.982   87.989   32.163   91.269   22.427 -3.280685 39.21007 
1 1 1   -9   26   46 o   94.256   20.873   32.005   11.338   43.626   19.586   26.149   13.904  103.950   31.857   84.562   26.978 19.38831 41.74546 
1 1 1   -9   26   47 o  164.917   15.250   93.808   12.279   75.878   19.570  105.450   15.770  143.742   26.158  186.091   15.682 -42.34889 30.49920 
1 1 1   -9   26   48 o   53.796   15.616   8.0410   7.4790   14.045   10.913   2.7243   10.270   61.218   23.500   46.373   20.572 14.84469 31.23236 
1 1 1   -9   26   49 o   64.056   16.316   14.438   7.6387   7.8557   11.034   20.495   10.585   54.129   22.608   73.983   23.532 -19.85330 32.63248 
1 1 1   -9   26   50 o   64.994   15.721   16.018   7.5731   5.4086   11.164   25.061   10.307   49.563   21.739   80.424   22.717 -30.86110 31.44246 
1 1 1   -9   27    1 o  161.353   13.131   71.250   11.449   0.0000   0.0000   71.250   11.449  ?   ?   161.353   13.131      ?      ? 
1 1 1   -9   27    2 o  149.496   14.248   61.303   11.510   0.0000   0.0000   61.303   11.510  ?   ?   149.496   14.248      ?      ? 
1 1 1   -9   27    3 o  286.988   10.524  228.478   14.200  230.885   16.499  221.599   27.891  291.121   10.488  282.856   18.248 8.264954 21.04717 
1 1 1   -9   27    4 o  243.737   7.7617  161.559   10.205  149.314   14.067  175.166   14.829  233.982   11.126  253.492   10.826 -19.51054 15.52340 
1 1 1   -9   27    6 o  100.631   14.834   29.412   7.9695   19.689   11.309   39.002   11.232   82.539   23.951  118.723   17.508 -36.18359 29.66756 
1 1 1   -9   27    7 o  187.059   8.7507   95.443   8.8306   88.400   12.161  103.299   12.844  179.752   12.520  194.366   12.229 -14.61398 17.50133 
1 1 1   -9   27    8 o  197.941   8.5730  107.084   9.1297   94.166   12.690  120.947   13.145  185.464   12.662  210.418   11.561 -24.95407 17.14590 
1 1 1   -9   27    9 o  308.097   7.3759  258.702   12.276  249.916   17.154  267.924   17.575  302.724   10.486  313.471   10.376 -10.74744 14.75175 
1 1 1   -9   27   10 o  170.484   13.682   79.814   12.604   0.0000   0.0000   79.814   12.604  ?   ?   170.484   13.682      ?      ? 
1 1 1   -9   27   11 o  153.124   10.730   65.406   8.5628   45.009   11.846   87.722   12.391  127.380   17.211  178.869   12.820 -51.48827 21.46058 
1 1 1   -9   27   13 o  138.528   16.312   53.149   12.211   0.0000   0.0000   53.149   12.211  ?   ?   138.528   16.312      ?      ? 
1 1 1   -9   27   14 o  280.965   10.649  215.610   16.168   0.0000   0.0000  215.610   16.168  ?   ?   280.965   10.649      ?      ? 
1 1 1   -9   27   15 o   71.328   17.054   13.779   7.8006   12.868   10.688   14.816   11.411   69.312   23.719   73.343   24.510 -4.031242 34.10782 
1 1 1   -9   27   16 o  243.226   10.784  161.709   14.174   0.0000   0.0000  161.709   14.174  ?   ?   243.226   10.784      ?      ? 
1 1 1   -9   27   17 o  198.170   8.7277  107.917   9.3261  116.018   13.199   99.839   13.180  205.722   11.873  190.617   12.795 15.10417 17.45535 
1 1 1   -9   27   18 o   77.767   16.766   17.536   7.6845   16.999   10.721   18.104   11.020   76.679   23.581   78.855   23.839 -2.175980 33.53159 
1 1 1   -9   27   19 f   66.480   16.560   10.648   7.7787   17.145   10.997   4.1424   11.004   76.923   23.920   56.037   22.907 20.88557 33.11932 
1 1 1   -9   27   20 o  227.613   11.193  142.155   13.767   0.0000   0.0000  142.155   13.767  ?   ?   227.613   11.193      ?      ? 
1 1 1   -9   27   21 o   55.036   15.824   4.1300   7.4633   6.8450   10.330   1.1649   10.795   58.402   22.741   51.671   22.009 6.730801 31.64719 
1 1 1   -9   27   22 o  160.265   9.6435   70.949   8.3186   62.670   11.459   80.173   12.095  150.269   14.112  170.262   13.146 -19.99222 19.28693 
1 1 1   -9   27   23 o   64.988   16.092   10.231   7.4393   3.1422   10.532   17.290   10.510   53.458   22.186   76.519   23.314 -23.06154 32.18340 
1 1 1   -9   27   24 o  206.003   8.2947  116.686   9.0977  145.221   13.314   91.691   12.461  229.913   10.717  182.093   12.664 47.82071 16.58949 
1 1 1   -9   27   25 o  129.124   11.585   47.085   8.0501   43.782   11.610   50.142   11.172  124.464   17.262  133.784   15.454 -9.320297 23.16910 
1 1 1   -9   27   26 o  148.809   10.184   62.023   8.1093   51.596   11.302   73.086   11.642  135.521   15.433  162.096   13.291 -26.57506 20.36790 
1 1 1   -9   27   27 f  125.760   11.681   45.068   7.8625   42.756   11.757   46.938   10.575  122.360   17.782  129.161   15.152 -6.801407 23.36188 
1 1 1   -9   27   28 o   65.310   16.556   11.508   7.4479   13.154   10.561   9.8790   10.505   68.092   23.564   62.527   23.263 5.565285 33.11245 
1 1 1   -9   27   29 o  130.249   10.783   48.150   7.5463   44.092   10.916   51.864   10.444  124.599   16.213  135.900   14.222 -11.30097 21.56659 
1 1 1   -9   27   30 o   52.219   15.497   2.4934   7.5222  -1.4201   10.753   6.2433   10.526   47.774   21.129   56.664   22.676 -8.889702 30.99434 
1 1 1   -9   27   31 o  132.673   15.762   50.181   11.300   0.0000   0.0000   50.181   11.300  ?   ?   132.673   15.762      ?      ? 
1 1 1   -9   27   32 o  116.549   13.558   41.249   7.8920   23.444   10.912   60.774   11.428   86.536   22.958  146.561   14.429 -60.02565 27.11602 
1 1 1   -9   27   33 o  206.031   8.3585  118.363   9.2723  120.833   13.762  116.310   12.548  207.742   12.260  204.321   11.365 3.421341 16.71705 
1 1 1   -9   27   34 o   44.843   14.340  -3.9744   7.4361  -0.0882   11.099  -7.1392   10.016   49.324   21.654   40.362   18.806 8.961952 28.68019 
1 1 1   -9   27   35 o  198.221   8.5234  110.510   9.1141  107.586   13.160  113.206   12.634  195.437   12.461  201.005   11.632 -5.567871 17.04680 
1 1 1   -9   27   36 o  176.412   9.1804   88.210   8.7463   88.540   12.592   87.903   12.158  176.594   13.195  176.229   12.767 0.3645172 18.36074 
1 1 1   -9   27   37 o   78.845   17.309   21.493   8.7958   27.271   10.689   9.3784   15.479   92.608   21.734   65.083   26.945 27.52490 34.61781 
1 1 1   -9   27   38 o   61.735   17.094   9.5776   8.2150   11.802   12.625   7.9445   10.818   65.344   25.225   58.126   23.077 7.217583 34.18851 
1 1 1   -9   27   39 o  145.104   11.946   63.394   9.0538   57.140   14.251   67.627   11.724  137.108   19.235  153.100   14.171 -15.99173 23.89141 
1 1 1   -9   27   40 o  108.743   14.060   37.080   7.9565   36.520   11.285   37.633   11.220  107.729   20.125  109.757   19.639 -2.027824 28.11939 
1 1 1   -9   27   41 o   51.279   15.244   2.0932   7.6207   10.672   11.004  -5.8135   10.564   60.906   23.539   41.652   19.375 19.25433 30.48766 
1 1 1   -9   27   42 o   68.164   16.975   15.635   7.9444   20.432   11.387   11.085   11.089   75.791   24.439   60.537   23.565 15.25456 33.94949 
1 1 1   -9   27   43 o   96.203   21.355   30.110   12.656   62.860   22.396   14.743   15.341  124.420   32.833   67.987   27.316 56.43275 42.71002 
1 1 1   -9   27   44 o  131.694   18.823   60.315   12.487   62.748   21.373   59.054   15.386  127.214   31.305  136.174   20.910 -8.960541 37.64571 
1 1 1   -9   27   45 o   43.614   15.074 -16.4951   11.099 -16.7703   18.754 -16.3468   13.769   47.155   22.956   40.073   19.544 7.081612 30.14819 
1 1 1   -9   27   46 f   82.471   15.658   25.418   7.9738   39.809   11.573   12.412   11.002  106.116   20.926   58.825   23.298 47.29146 31.31634 
1 1 1   -9   27   47 o   58.199   16.366   10.959   7.7084   10.436   10.846   11.493   10.958   57.430   23.005   58.968   23.284 -1.537651 32.73194 
1 1 1   -9   27   48 o   40.340   13.351  -3.7628   7.2956  -0.8882   10.428  -6.5183   10.210   42.717   19.651   37.963   18.078 4.754856 26.70162 
1 1 1   -9   28    1 o  122.113   10.291   41.378   6.4866   40.225   10.829   42.023   8.1006  120.397   16.645  123.829   12.106 -3.432243 20.58220 
1 1 1   -9   28    2 o  121.514   12.235   44.798   6.9998   33.221   11.965   50.821   8.6307  106.792   21.479  136.236   11.724 -29.44487 24.47027 
1 1 1   -9   28    3 o  105.326   14.296   31.185   7.8886   47.320   11.951   18.729   10.501  130.515   16.946   80.138   23.029 50.37774 28.59156 
1 1 1   -9   28    4 o  211.125   11.389  121.970   12.993   0.0000   0.0000  121.970   12.993  ?   ?   211.125   11.389      ?      ? 
1 1 1   -9   28    6 o   96.348   15.244   27.126   7.7380   25.127   10.710   29.308   11.193   92.525   21.782  100.170   21.331 -7.644447 30.48758 
1 1 1   -9   28    7 o  193.409   8.9237  102.368   9.2816  117.136   13.514   89.181   12.770  206.696   12.099  180.122   13.120 26.57440 17.84733 
1 1 1   -9   28    8 o  103.344   14.880   30.925   8.0123   27.839   10.876   34.587   11.848   97.558   21.234  109.129   20.853 -11.57130 29.76095 
1 1 1   -9   28    9 o  213.565   8.3661  124.292   9.6194  116.853   12.945  133.465   14.375  206.530   11.599  220.600   12.059 -14.07008 16.73210 
1 1 1   -9   28   10 o  132.759   11.139   48.882   7.9825   49.139   11.058   48.601   11.535  133.207   15.363  132.311   16.133 0.8962860 22.27774 
1 1 1   -9   28   11 o  104.423   14.557   32.523   7.9592   42.886   11.009   21.176   11.520  124.183   16.406   84.664   24.052 39.51913 29.11438 
1 1 1   -9   28   14 o  304.897   10.203  254.409   16.810   0.0000   0.0000  254.409   16.810  ?   ?   304.897   10.203      ?      ? 
1 1 1   -9   28   15 o  136.458   11.335   52.065   8.3375   53.423   11.495   50.559   12.112  138.518   15.357  134.397   16.677 4.120361 22.67064 
1 1 1   -9   28   16 o   64.907   14.883   8.3008   7.4490   22.231   10.329  -6.7941   10.752   86.332   22.060   43.482   19.984 42.84997 29.76597 
1 1 1   -9   28   17 o  179.108   9.2042   88.547   8.9010   92.982   12.883   84.496   12.312  183.398   13.000  174.818   13.033 8.579285 18.40836 
1 1 1   -9   28   18 o   58.637   16.116   6.5830   7.4954   10.504   10.467   2.4560   10.739   64.271   23.337   53.003   22.232 11.26807 32.23125 
1 1 1   -9   28   20 o  168.948   9.3038   79.104   8.4906   79.720   12.196   78.524   11.827  169.536   13.313  168.361   13.000 1.174744 18.60770 
1 1 1   -9   28   21 o   56.385   14.522   1.4510   7.4331   17.218   10.225 -16.2215   10.825   76.006   22.959   36.763   17.789 39.24235 29.04471 
1 1 1   -9   28   22 o  194.090   8.5171  104.074   8.9125  114.255   12.886   94.738   12.340  203.292   11.731  184.889   12.351 18.40308 17.03414 
1 1 1   -9   28   23 o  103.253   14.060   31.704   7.6279   37.336   10.645   25.760   10.936  114.546   17.198   91.960   22.249 22.58530 28.12076 
1 1 1   -9   28   24 o  194.657   12.205  105.208   12.838   0.0000   0.0000  105.208   12.838  ?   ?   194.657   12.205      ?      ? 
1 1 1   -9   28   25 o  134.044   10.999   50.921   7.9427   54.351   11.112   47.338   11.357  138.952   14.799  129.136   16.276 9.815750 21.99815 
1 1 1   -9   28   26 o   62.433   16.191   9.0468   7.6378   1.7153   10.872   16.190   10.732   51.563   22.028   73.303   23.735 -21.74027 32.38213 
1 1 1   -9   28   27 o  112.615   12.622   36.632   7.6735   36.848   11.105   36.435   10.616  112.779   18.222  112.451   17.470 0.3272095 25.24368 
1 1 1   -9   28   28 o   58.401   15.263   5.9965   7.3767   16.356   10.160  -5.5521   10.727   73.127   23.033   43.675   20.032 29.45179 30.52522 
1 1 1   -9   28   29 o  106.221   13.754   33.848   7.6575   38.414   10.665   28.988   11.002  115.444   17.096   96.999   21.550 18.44524 27.50736 
1 1 1   -9   28   30 o   70.804   16.677   14.787   7.7107   20.460   11.080   9.4610   10.737   80.409   23.814   61.199   23.353 19.21056 33.35335 
1 1 1   -9   28   31 o   95.947   14.892   28.112   7.8543   16.810   10.732   41.148   11.526   73.354   23.733  118.540   17.994 -45.18609 29.78316 
1 1 1   -9   28   32 o   48.007   14.872  -0.0988   7.3401  -1.7556   9.8862   1.9363   10.957   44.922   20.041   51.091   21.978 -6.169571 29.74318 
1 1 1   -9   28   33 o  104.146   14.492   33.326   7.9746   40.659   11.519   26.576   11.051  117.199   18.189   91.094   22.567 26.10554 28.98455 
1 1 1   -9   28   34 o  103.882   14.495   33.319   7.9684   28.231   11.155   38.619   11.386   93.899   22.314  113.866   18.506 -19.96669 28.98954 
1 1 1   -9   28   35 o  203.560   8.5995  116.776   9.4394  106.898   13.143  127.301   13.566  194.427   12.509  212.693   11.803 -18.26567 17.19908 
1 1 1   -9   28   36 o   66.556   17.786   7.6686   8.7705  -0.6188   10.550   26.216   15.782   46.975   20.844   86.137   28.825 -39.16195 35.57220 
1 1 1   -9   28   37 o   48.038   15.229  -1.4110   8.1656   1.0689   12.035  -3.5265   11.115   51.027   22.471   45.049   20.560 5.977631 30.45735 
1 1 1   -9   28   38 o  175.144   9.9421   88.249   9.3562   93.604   14.141   84.080   12.478  179.397   14.588  170.891   13.512 8.506241 19.88415 
1 1 1   -9   28   39 o  122.857   13.745   48.688   8.3358   28.319   11.587   70.541   12.001   90.716   23.461  154.998   14.329 -64.28126 27.49091 
1 1 1   -9   28   40 o   76.049   20.917   17.415   10.229   35.473   23.212   13.063   11.395   88.400   34.181   63.698   24.117 24.70210 41.83323 
1 1 1   -9   28   41 o   74.511   20.877   19.858   13.014   9.2928   22.330   25.293   16.015   67.345   30.076   81.678   28.961 -14.33351 41.75328 
1 1 1   -9   28   42 o   70.983   20.000   16.079   12.668  -0.0142   20.591   25.878   16.068   59.717   27.523   82.250   29.026 -22.53305 40.00038 
1 1 1   -9   28   43 o  155.913   12.948   77.922   10.617   75.988   13.556   80.991   17.075  156.392   16.041  155.434   20.329 0.9576721 25.89538 
1 1 1   -9   28   44 o   55.883   16.246   9.7607   8.0093   6.2803   11.648   12.883   11.031   51.917   22.495   59.849   23.446 -7.932472 32.49235 
1 1 1   -9   28   45 f   78.716   17.217   23.633   8.0627   25.178   11.717   22.243   11.112   80.948   24.606   76.485   24.087 4.463226 34.43325 
1 1 1   -9   28   46 f   65.028   16.573   16.327   7.9634   8.5433   11.199   24.289   11.326   53.118   22.514   76.937   24.328 -23.81865 33.14676 
1 1 1   -9   29    1 o  204.242   8.7532  113.828   9.6606   0.0000   0.0000  113.828   9.6606  ?   ?   204.242   8.7532      ?      ? 
1 1 1   -9   29    2 o  227.243   7.1859  135.901   8.3119  157.748   14.878  125.990   10.022  239.582   11.492  214.904   8.6298 24.67767 14.37188 
1 1 1   -9   29    3 o  261.632   7.2212  189.907   9.3721  181.126   16.819  193.861   11.287  256.464   12.136  266.800   7.8288 -10.33624 14.44239 
1 1 1   -9   29    4 o   80.066   15.858   18.716   7.0680   16.764   9.2587   21.441   10.942   75.437   21.607   84.696   23.217 -9.259445 31.71608 
1 1 1   -9   29    5 o   71.040   16.333   14.286   7.2470   11.647   10.222   16.954   10.276   66.098   23.165   75.982   23.031 -9.884186 32.66591 
1 1 1   -9   29    7 o  104.792   14.352   32.913   7.9544   51.613   11.458   15.518   11.051  136.001   15.591   73.584   24.101 62.41701 28.70426 
1 1 1   -9   29    9 o   87.297   16.404   22.853   7.8731   21.410   10.940   24.402   11.339   84.501   23.235   90.092   23.163 -5.590919 32.80899 
1 1 1   -9   29   10 o   48.067   21.001  -1.0065   10.329   0.0000   0.0000  -1.0065   10.329  ?   ?    48.067   21.001      ?      ? 
1 1 1   -9   29   11 o   86.810   15.787   23.050   7.7289   30.156   10.531   14.754   11.379  101.308   19.947   72.312   24.475 28.99622 31.57355 
1 1 1   -9   29   12 o  159.814   9.8461   71.162   8.4729   76.133   11.818   65.905   12.153  165.798   13.191  153.830   14.621 11.96809 19.69215 
1 1 1   -9   29   13 o   59.907   15.097   2.0459   7.7279   20.190   11.430 -13.2303   10.488   81.968   24.163   37.846   18.105 44.12162 30.19348 
1 1 1   -9   29   14 o   83.210   16.484   20.866   7.6988   20.719   10.587   21.031   11.216   82.955   22.877   83.464   23.740 -0.5081482 32.96837 
1 1 1   -9   29   15 o  121.986   12.853   43.737   8.0312   51.042   10.922   35.137   11.851  135.105   14.960  108.867   20.905 26.23856 25.70609 
1 1 1   -9   29   16 o  152.012   9.9303   64.465   8.1528   65.115   11.388   63.782   11.677  152.885   13.785  151.139   14.298 1.745834 19.86060 
1 1 1   -9   29   17 o  120.346   12.551   41.196   8.1388   37.158   11.297   45.553   11.736  114.015   18.336  126.676   17.144 -12.66070 25.10282 
1 1 1   -9   29   18 o   57.052   15.842   5.4018   7.5940   11.797   10.386  -1.9467   11.133   65.700   23.319   48.403   21.449 17.29696 31.68328 
1 1 1   -9   29   19 o  228.908   8.0745  144.941   9.9488  128.613   13.856  162.315   14.293  215.370   11.906  242.446   10.910 -27.07610 16.14899 
1 1 1   -9   29   20 o   73.417   16.734   15.511   7.6593   11.032   10.290   21.077   11.470   64.159   23.162   82.675   24.158 -18.51537 33.46758 
1 1 1   -9   29   21 o  104.738   14.345   33.281   7.8567   42.142   10.951   23.881   11.279  121.633   16.661   87.842   23.357 33.79094 28.69058 
1 1 1   -9   29   22 o  150.722   10.297   64.190   8.3697   66.774   11.652   61.435   12.030  154.105   13.992  147.338   15.110 6.766693 20.59389 
1 1 1   -9   29   23 o  125.917   11.623   45.553   7.8572   47.525   10.694   43.239   11.583  129.360   15.299  122.473   17.502 6.886421 23.24561 
1 1 1   -9   29   24 f   90.345   15.137   24.320   7.8699   37.736   11.573   12.778   10.734  113.777   18.823   66.912   23.712 46.86536 30.27475 
1 1 1   -9   29   25 o   49.060   15.082   0.3122   7.4163  -0.4595   9.9804   1.2637   11.082   46.972   20.580   51.148   22.052 -4.175941 30.16333 
1 1 1   -9   29   26 o   76.380   15.475   17.742   7.5872   28.392   10.446   5.8499   11.038   96.232   20.702   56.527   23.006 39.70502 30.94916 
1 1 1   -9   29   27 o   62.699   16.538   10.479   7.5742   8.1920   10.805   12.688   10.620   59.241   23.205   66.157   23.571 -6.916672 33.07676 
1 1 1   -9   29   28 o   61.249   16.297   9.9071   7.3136   9.0904   9.9390   10.872   10.801   59.390   22.515   63.108   23.567 -3.717995 32.59312 
1 1 1   -9   29   29 o  169.935   9.6593   82.263   8.7799   68.511   12.266   96.711   12.573  154.686   14.675  185.184   12.564 -30.49779 19.31861 
1 1 1   -9   29   30 o  106.030   14.136   34.219   7.9138   29.634   10.883   39.365   11.529   97.006   21.341  115.054   18.543 -18.04835 28.27198 
1 1 1   -9   29   31 f   43.396   14.005  -4.1048   7.2954  -2.9069   10.467  -5.2366   10.174   44.780   20.244   42.012   19.357 2.768719 28.00935 
1 1 1   -9   29   32 o   86.293   16.177   24.183   7.7775   19.414   11.090   28.799   10.910   77.304   24.018   95.281   21.679 -17.97685 32.35462 
1 1 1   -9   29   33 o   92.977   14.916   27.491   7.8142   15.239   10.903   40.430   11.205   69.393   23.947  116.561   17.790 -47.16721 29.83139 
1 1 1   -9   29   34 o   63.367   15.662   9.7941   7.7639   21.910   10.885  -2.7538   11.077   81.053   23.490   45.680   20.722 35.37257 31.32420 
1 1 1   -9   29   35 o   74.675   17.781   13.744   8.9668   3.2742   11.030   34.144   15.397   51.706   22.141   97.645   27.829 -45.93892 35.56219 
1 1 1   -9   29   36 o  102.982   14.808   34.472   8.0807   41.941   11.382   26.883   11.474  117.256   17.964   88.707   23.545 28.54870 29.61541 
1 1 1   -9   29   37 f  220.982   9.2761  144.516   10.807  127.162   16.485  157.595   14.312  207.073   14.733  234.891   11.276 -27.81859 18.55228 
1 1 1   -9   29   38 o  112.609   20.193   52.798   14.228   26.329   22.949   69.324   18.133   80.690   33.043  144.527   23.219 -63.83717 40.38513 
1 1 1   -9   29   39 o  138.246   18.774   66.373   13.421   73.964   20.519   60.698   17.742  144.292   27.316  132.200   25.761 12.09178 37.54778 
1 1 1   -9   29   40 o   66.417   19.637   5.2282   12.793   32.162   20.182 -12.8626   16.540   85.998   32.195   46.836   22.493 39.16145 39.27404 
1 1 1   -9   29   41 o   77.504   17.299   23.846   8.2131   19.325   11.315   28.879   11.940   69.564   24.373   85.443   24.556 -15.87872 34.59836 
1 1 1   -9   29   42 o  138.477   11.882   61.036   8.6326   75.487   12.201   46.551   12.215  157.825   14.307  119.129   18.976 38.69573 23.76481 
1 1 1   -9   29   43 o   41.050   13.447  -9.3392   7.6941 -23.8988   10.730   6.0720   11.039   30.591   15.317   51.509   22.106 -20.91843 26.89416 
1 1 1   -9   29   44 o   48.127   14.816   0.5509   8.1015 -13.0465   11.459   14.141   11.456   36.166   17.679   60.087   23.781 -23.92136 29.63292 
1 1 1   -9   30    1 o  193.026   8.6951  101.874   9.0694   0.0000   0.0000  101.874   9.0694  ?   ?   193.026   8.6951      ?      ? 
1 1 1   -9   30    2 o  191.624   7.7121  100.433   7.6318  103.311   12.916   98.889   9.4598  193.211   12.371  190.038   9.2120 3.173203 15.42417 
1 1 1   -9   30    3 o  167.381   8.2642   76.975   7.1417   78.604   12.069   76.097   8.8594  168.219   13.277  166.543   9.8444 1.675781 16.52846 
1 1 1   -9   30    4 o   43.891   13.797  -1.9670   6.1857  -1.5867   10.805  -2.1524   7.5445   48.276   21.274   39.505   17.574 8.770958 27.59398 
1 1 1   -9   30    5 o   73.207   16.493   15.398   7.3943   12.043   9.9618   19.514   11.035   66.055   22.884   80.359   23.756 -14.30470 32.98516 
1 1 1   -9   30    6 o  223.338   11.991  137.964   14.471   0.0000   0.0000  137.964   14.471  ?   ?   223.338   11.991      ?      ? 
1 1 1   -9   30    7 o  147.497   10.322   60.704   8.2066   55.111   11.304   66.938   11.933  140.220   14.919  154.774   14.268 -14.55388 20.64373 
1 1 1   -9   30    8 o   70.975   16.737   14.605   7.5154   15.094   10.126   14.006   11.214   71.644   23.040   70.305   24.284 1.339249 33.47483 
1 1 1   -9   30    9 o   74.788   16.255   16.231   7.3637   11.275   9.9927   22.121   10.893   64.501   22.876   85.076   23.100 -20.57428 32.51038 
1 1 1   -9   30   10 o  145.302   10.380   60.229   7.9122   76.325   11.199   44.187   11.180  165.764   12.503  124.841   16.573 40.92295 20.76020 
1 1 1   -9   30   11 o   74.178   16.380   16.014   7.3439   12.131   9.8279   20.924   11.051   65.768   22.733   82.589   23.590 -16.82097 32.76078 
1 1 1   -9   30   12 o  123.503   12.362   43.503   8.2452   42.367   11.420   44.740   11.917  121.874   17.340  125.132   17.625 -3.257843 24.72477 
1 1 1   -9   30   13 o  160.724   9.7142   72.212   8.4321   68.979   11.778   75.611   12.077  156.976   13.886  164.471   13.589 -7.494949 19.42833 
1 1 1   -9   30   14 o  143.446   11.083   58.260   8.5533   51.806   12.002   64.921   12.193  135.038   16.447  151.853   14.859 -16.81516 22.16563 
1 1 1   -9   30   15 o   61.476   16.066   8.3466   7.2871   2.9868   9.6857   15.338   11.062   50.904   21.214   72.048   24.133 -21.14436 32.13131 
1 1 1   -9   30   16 o  126.974   11.830   46.167   8.0893   49.637   11.338   42.570   11.545  132.189   15.872  121.759   17.547 10.43004 23.66087 
1 1 1   -9   30   17 o  219.726   8.1984  134.239   9.7263  132.637   13.987  135.738   13.534  218.317   11.857  221.136   11.326 -2.819061 16.39686 
1 1 1   -9   30   18 o   47.027   14.662  -1.4745   7.2763  -4.0017   9.8679   1.5370   10.772   43.105   19.556   50.948   21.850 -7.842949 29.32330 
1 1 1   -9   30   19 o   51.410   15.382   1.7249   7.5733   6.3275   10.530  -3.2062   10.900   56.625   22.673   46.195   20.792 10.43054 30.76329 
1 1 1   -9   30   20 o   90.278   14.765   23.500   7.7904   9.9821   10.381   40.928   11.787   61.917   23.108  118.639   18.386 -56.72230 29.53003 
1 1 1   -9   30   21 o   60.690   16.308   8.5842   7.5174   4.5145   10.266   13.290   11.039   53.569   22.037   67.811   24.044 -14.24185 32.61544 
1 1 1   -9   30   22 o   96.114   14.935   28.206   7.9343   16.046   10.905   41.882   11.565   72.295   23.954  119.933   17.846 -47.63821 29.87059 
1 1 1   -9   30   23 o   61.769   16.433   8.9694   7.8650   15.761   11.138   2.2132   11.108   71.629   24.214   51.909   22.223 19.72056 32.86621 
1 1 1   -9   30   24 o   64.553   16.604   11.827   7.5742   14.089   10.348   9.2169   11.116   68.208   23.338   60.899   23.625 7.309212 33.20856 
1 1 1   -9   30   25 o  143.694   10.718   59.436   8.1243   44.327   11.194   76.255   11.810  123.369   16.791  164.020   13.325 -40.65116 21.43591 
1 1 1   -9   30   26 o  126.087   12.176   46.445   8.2711   51.688   12.093   41.837   11.337  132.967   16.831  119.206   17.600 13.76109 24.35291 
1 1 1   -9   30   27 o   77.664   16.871   19.552   7.7390   19.158   10.445   20.032   11.523   77.039   23.191   78.289   24.508 -1.250092 33.74146 
1 1 1   -9   30   28 o  124.460   12.242   45.593   8.1978   45.754   11.123   45.401   12.129  125.202   16.441  123.719   18.143 1.482384 24.48405 
1 1 1   -9   30   29 o   69.409   15.738   14.127   7.7247   24.510   10.524   1.9963   11.375   87.320   22.242   51.499   22.272 35.82097 31.47601 
1 1 1   -9   30   30 o   90.198   15.221   25.673   8.2262   41.866   11.931   10.999   11.358  117.794   18.744   62.602   23.987 55.19228 30.44198 
1 1 1   -9   30   31 o  113.515   13.584   39.768   8.0094   48.886   11.546   31.312   11.120  128.423   16.638   98.608   21.477 29.81466 27.16796 
1 1 1   -9   30   32 o   66.474   16.750   13.942   7.5843   13.342   10.648   14.559   10.806   65.423   23.570   67.524   23.806 -2.101196 33.49995 
1 1 1   -9   30   33 o  117.409   13.828   43.733   8.3800   53.252   11.839   34.176   11.863  133.322   16.433  101.496   22.244 31.82581 27.65610 
1 1 1   -9   30   34 o  130.439   14.797   54.684   9.6975   53.281   12.077   57.230   16.270  132.195   16.907  128.683   24.288 3.512466 29.59333 
1 1 1   -9   30   35 o   63.983   19.778   6.8569   11.034   20.396   23.041   2.8277   12.569   75.455   32.148   52.510   23.048 22.94499 39.55608 
1 1 1   -9   30   36 o   65.628   27.756   11.360   16.964   0.0000   0.0000   11.360   16.964  ?   ?    65.628   27.756      ?      ? 
1 1 1   -9   30   37 o   49.225   16.572 -13.3669   12.649 -31.5315   20.067  -1.3892   16.295   44.630   22.116   53.820   24.686 -9.189137 33.14394 
1 1 1   -9   30   38 o   76.161   19.186   23.705   9.5984   22.300   11.641   26.689   16.965   75.575   24.734   76.746   29.338 -1.171326 38.37295 
1 1 1   -9   30   39 o   61.732   16.513   13.314   7.9510   6.3110   11.014   20.936   11.490   51.265   22.043   72.199   24.593 -20.93383 33.02612 
1 1 1   -9   30   40 o   73.641   16.876   20.623   7.9707   25.468   10.890   15.032   11.698   83.042   23.313   64.240   24.408 18.80149 33.75291 
1 1 1   -9   30   41 o   47.088   14.867   2.2252   7.7877  -1.9015   10.742   6.7965   11.306   42.561   19.708   51.614   22.264 -9.052746 29.73363 
1 1 1   -9   31    1 o  115.195   17.174   37.970   10.690   0.0000   0.0000   37.970   10.690  ?   ?   115.195   17.174      ?      ? 
1 1 1   -9   31    2 o  136.467   11.102   51.560   8.1871   0.0000   0.0000   51.560   8.1871  ?   ?   136.467   11.102      ?      ? 
1 1 1   -9   31    3 o   72.953   14.661   12.830   6.2692   27.545   10.924   5.6026   7.6555   94.920   21.762   50.985   19.654 43.93573 29.32297 
1 1 1   -9   31    4 o   74.353   14.919   14.567   6.5234   26.802   10.720   7.3729   8.2206   93.641   21.623   55.065   20.561 38.57554 29.83806 
1 1 1   -9   31    5 o  113.068   11.356   35.140   6.6626   40.833   11.416   32.199   8.2051  119.156   17.730  106.980   14.194 12.17646 22.71111 
1 1 1   -9   31    7 o   85.251   15.376   21.352   7.5027   11.571   10.001   33.944   11.347   64.455   22.882  106.047   20.544 -41.59165 30.75163 
1 1 1   -9   31    8 o   64.273   16.279   11.402   7.2137   13.082   9.9469   9.5380   10.477   67.062   22.882   61.484   23.162 5.578053 32.55846 
1 1 1   -9   31    9 o  131.767   11.401   49.045   8.0422   45.919   10.554   53.373   12.419  127.140   15.362  136.394   16.851 -9.254471 22.80185 
1 1 1   -9   31   10 o   87.213   15.561   23.026   7.3136   19.093   9.6458   28.345   11.217   78.659   21.891   95.767   22.122 -17.10804 31.12214 
1 1 1   -9   31   11 o   82.016   16.515   20.813   7.8031   15.886   10.796   26.202   11.292   72.402   23.825   91.629   22.876 -19.22706 33.02948 
1 1 1   -9   31   12 o  140.190   10.784   55.929   8.1367   56.809   11.088   54.901   11.977  141.729   14.478  138.651   15.986 3.077896 21.56793 
1 1 1   -9   31   13 o   64.277   15.528   8.9312   7.7833   21.635   10.783  -4.8862   11.246   83.153   23.147   45.400   20.704 37.75328 31.05552 
1 1 1   -9   31   14 o   44.594   14.186  -3.2982   7.2354  -0.3310   9.6903  -7.0366   10.877   46.469   20.321   42.720   19.799 3.749458 28.37156 
1 1 1   -9   31   15 o   98.724   15.090   29.719   7.8204   24.611   10.600   35.821   11.586   88.860   22.152  108.588   20.496 -19.72765 30.17950 
1 1 1   -9   31   16 o  146.196   10.879   61.039   8.5880   60.475   11.901   61.653   12.405  145.624   15.124  146.767   15.641 -1.143677 21.75765 
1 1 1   -9   31   17 o   54.558   15.155   3.4502   7.5235   13.449   10.112  -8.9474   11.260   67.205   23.069   41.912   19.661 25.29303 30.31056 
1 1 1   -9   31   18 o  118.355   13.666   43.115   8.2126   54.131   11.367   31.087   11.878  137.431   15.307   99.280   22.643 38.15118 27.33147 
1 1 1   -9   31   19 o   48.915   14.892  -1.4524   7.7572   7.5132   10.592 -11.8233   11.392   57.760   22.865   40.071   19.086 17.68914 29.78419 
1 1 1   -9   31   20 o   77.900   16.597   18.961   7.8303   12.562   10.780   26.109   11.393   65.631   23.705   90.170   23.237 -24.53902 33.19487 
1 1 1   -9   31   21 o   53.619   15.548   4.0492   7.5703   9.8984   10.341  -2.7046   11.112   60.784   22.984   46.455   20.943 14.32927 31.09506 
1 1 1   -9   31   22 o   86.581   16.121   24.218   7.9243   32.204   11.270   16.408   11.145  101.214   21.281   71.948   24.222 29.26577 32.24243 
1 1 1   -9   31   23 o   85.343   14.824   21.996   8.1710   4.9331   11.413   39.939   11.703   55.019   22.987  115.666   18.725 -60.64663 29.64832 
1 1 1   -9   31   24 o  127.921   12.240   48.034   8.4474   46.221   11.553   50.117   12.383  125.498   17.036  130.345   17.581 -4.846619 24.48096 
1 1 1   -9   31   25 o   38.939   13.108 -11.5929   7.4974 -15.9003   9.9972  -6.0567   11.334   34.066   16.623   43.812   20.272 -9.745956 26.21582 
1 1 1   -9   31   26 o   77.519   17.121   19.926   7.9910   21.846   11.228   17.955   11.376   81.077   23.961   73.962   24.463 7.115334 34.24289 
1 1 1   -9   31   27 o   45.996   14.554  -1.8723   7.5803   2.2508   10.363  -6.6180   11.117   49.480   21.329   42.512   19.809 6.968380 29.10855 
1 1 1   -9   31   28 o   54.776   16.122   5.3660   7.9646   2.5070   11.198   8.2927   11.330   51.138   22.108   58.414   23.473 -7.275307 32.24473 
1 1 1   -9   31   29 o   52.671   15.627   4.5595   7.5312   2.2141   10.331   7.2194   11.002   49.085   21.227   56.257   22.940 -7.172272 31.25423 
1 1 1   -9   31   30 o   91.927   15.195   28.433   7.8204   37.838   10.968   18.706   11.154  110.593   18.353   73.262   24.223 37.33054 30.39034 
1 1 1   -9   31   31 o   52.929   15.894   5.0087   7.9068   7.1999   11.697   3.1651   10.729   55.906   23.307   49.952   21.617 5.954235 31.78850 
1 1 1   -9   31   32 o   68.590   19.881   14.700   10.831   10.070   23.928   15.894   12.147   68.550   30.834   68.630   25.106 -0.8011627E-01 39.76238 
1 1 1   -9   31   33 o   64.286   29.318   4.0698   22.550   4.0698   22.550   0.0000   0.0000   64.286   29.318  ?   ?       ?      ? 
1 1 1   -9   31   34 o   54.917   18.016  -8.2447   13.759 -30.0901   20.618   9.2950   18.474   45.784   22.639   64.049   28.032 -18.26463 36.03240 
1 1 1   -9   31   35 o   46.466   15.628  -6.7306   10.446  -8.3401   13.467  -4.2995   16.551   43.240   20.639   49.692   23.473 -6.451553 31.25587 
1 1 1   -9   31   36 o   46.378   14.750   1.2011   7.8141  -2.8878   10.805   5.6840   11.314   42.060   19.575   50.696   22.068 -8.635361 29.49926 
1 1 1   -9   31   37 o   72.016   17.185   19.804   7.9910   21.410   10.744   17.816   11.954   75.602   23.665   68.429   24.925 7.173019 34.37030 
1 1 1   -9   31   38 o   50.830   15.532   4.8857   8.1226   10.986   11.269  -1.7102   11.718   57.152   23.251   44.508   20.601 12.64428 31.06433 
1 1 1   -9   31   39 o   54.984   15.828   7.1290   8.2058  -4.3384   11.174   20.554   12.090   40.915   19.315   69.053   25.079 -28.13751 31.65507 
1 1 1   -9   32    1 o   61.929   23.897   9.4761   11.327   0.0000   0.0000   9.4761   11.327  ?   ?    61.929   23.897      ?      ? 
1 1 1   -9   32    2 o   99.593   20.903   30.462   10.891   0.0000   0.0000   30.462   10.891  ?   ?    99.593   20.903      ?      ? 
1 1 1   -9   32    3 o  157.909   10.139   69.047   8.6515   0.0000   0.0000   69.047   8.6515  ?   ?   157.909   10.139      ?      ? 
1 1 1   -9   32    4 o   55.791   13.283   4.8562   6.5718 -16.3739   10.739   17.567   8.3095   35.935   17.465   75.647   20.017 -39.71203 26.56543 
1 1 1   -9   32    5 o  163.547   8.8976   73.231   7.2588   79.977   13.303   70.371   8.6619  167.672   14.682  159.421   10.055 8.251022 17.79525 
1 1 1   -9   32    6 o   40.604   13.017  -4.0038   6.1312  -0.6995   9.3599  -6.4872   8.1144   45.124   19.846   36.084   16.850 9.040279 26.03431 
1 1 1   -9   32    7 o   70.774   15.754   13.850   7.0329   7.0511   9.1682   23.572   10.963   55.311   21.456   86.238   23.073 -30.92644 31.50718 
1 1 1   -9   32    8 o   90.523   16.036   26.352   7.8949   30.185   10.569   21.513   11.875   99.180   20.401   81.865   24.747 17.31458 32.07161 
1 1 1   -9   32    9 o  130.527   11.399   48.607   7.8907   37.234   10.645   62.479   11.756  113.051   17.425  148.002   14.699 -34.95086 22.79706 
1 1 1   -9   32   10 o   64.356   16.576   11.721   7.4484   11.664   10.011   11.791   11.148   63.805   22.868   64.907   24.001 -1.101952 33.15128 
1 1 1   -9   32   11 o  100.609   15.402   31.640   8.1283   30.728   11.321   32.611   11.678   99.100   21.738  102.118   21.825 -3.017693 30.80360 
1 1 1   -9   32   12 o   37.091   12.550 -12.0386   7.0771 -15.0798   9.5381  -8.3135   10.556   33.567   16.347   40.616   19.048 -7.049431 25.10093 
1 1 1   -9   32   13 o   51.980   15.365   3.0473   7.2497  -0.3974   9.6515   7.5075   10.982   45.841   20.157   58.119   23.195 -12.27824 30.72977 
1 1 1   -9   32   14 o  126.829   12.939   48.680   8.3861   60.287   11.797   36.820   11.924  144.806   15.076  108.851   21.033 35.95459 25.87825 
1 1 1   -9   32   15 f  115.776   13.571   41.389   8.0520   49.199   11.024   32.458   11.789  130.399   15.645  101.154   22.178 29.24460 27.14126 
1 1 1   -9   32   16 o   83.645   16.109   23.173   7.7399   28.625   10.308   16.126   11.719   95.725   20.542   71.566   24.819 24.15905 32.21767 
1 1 1   -9   32   17 o   50.848   15.410   2.4023   7.5434   2.1269   10.231   2.7302   11.166   49.669   21.298   52.027   22.278 -2.358131 30.82035 
1 1 1   -9   32   18 o   57.113   16.026   6.4367   7.6041   1.1522   10.407   12.489   11.138   48.881   21.222   65.346   24.020 -16.46489 32.05164 
1 1 1   -9   32   19 o  144.627   10.960   60.637   8.5219   67.872   12.139   53.605   11.967  153.681   14.617  135.572   16.335 18.10919 21.92010 
1 1 1   -9   32   20 o   48.792   14.972  -1.1965   7.8583   7.1253   10.751 -10.7437   11.515   56.838   22.856   40.746   19.345 16.09147 29.94357 
1 1 1   -9   32   21 o  124.154   13.281   46.595   8.4914   35.155   11.591   59.848   12.476  105.428   21.082  142.880   16.159 -37.45229 26.56207 
1 1 1   -9   32   22 o   48.505   15.212  -0.1196   7.9303   0.8608   10.739  -1.2952   11.760   48.655   21.332   48.355   21.694 0.2999725 30.42476 
1 1 1   -9   32   23 o   65.847   16.441   9.4874   8.4953  -3.6555   11.462   25.511   12.655   45.599   20.836   86.095   25.437 -40.49623 32.88193 
1 1 1   -9   32   24 o   55.094   15.867   4.8342   8.0408   12.661   10.939  -4.3663   11.860   64.461   23.787   45.728   21.006 18.73265 31.73440 
1 1 1   -9   32   25 o   59.996   16.555   9.4114   7.9827   14.482   11.313   4.3842   11.265   67.032   24.274   52.961   22.519 14.07151 33.11065 
1 1 1   -9   32   26 o   76.041   17.123   19.702   8.2901   28.073   12.115   12.330   11.369   89.264   24.413   62.818   24.016 26.44555 34.24547 
1 1 1   -9   32   27 o   61.232   15.839   8.1913   8.1482  -5.7997   11.425   22.677   11.625   42.840   20.002   79.623   24.566 -36.78309 31.67867 
1 1 1   -9   32   28 o   52.528   16.027   3.8048   8.3369   1.4738   11.914   6.0410   11.670   50.240   22.229   54.817   23.094 -4.577217 32.05389 
1 1 1   -9   32   29 o   60.302   19.027   5.2092   11.316   3.3829   23.242   5.7766   12.955   64.310   29.492   56.294   24.047 8.015793 38.05342 
1 1 1   -9   32   30 o   63.914   20.214   5.7700   13.987   12.831   22.287   1.1813   17.966   69.849   30.674   57.979   26.336 11.87045 40.42827 
1 1 1   -9   32   31 o   48.840   16.676 -21.5102   13.229   3.6014   19.862 -41.5315   17.735   59.812   27.368   37.868   19.060 21.94394 33.35145 
1 1 1   -9   32   32 o   52.797   23.048   6.5125   12.417   6.5125   12.417   0.0000   0.0000   52.797   23.048  ?   ?       ?      ? 
1 1 1   -9   32   33 o   56.015   16.645   9.5277   8.5201   9.8934   11.417   9.0680   12.800   56.098   23.176   55.932   23.898 0.1658058 33.29056 
1 1 1   -9   32   34 o   87.944   17.154   30.036   8.8182   21.545   13.128   37.017   11.903   73.437   26.202  102.451   22.147 -29.01351 34.30761 
1 1 1   -9   32   35 f   90.537   16.129   30.372   8.1984   20.218   11.018   42.966   12.272   71.315   24.084  109.759   21.460 -38.44373 32.25740 
1 1 1   -9   32   36 o   36.392   12.552 -12.8739   7.9529 -18.1826   10.820  -6.6346   11.730   32.537   16.144   40.246   19.224 -7.709309 25.10342 
1 1 1   -9   33    1 o   98.221   15.722   27.975   8.3446   0.0000   0.0000   27.975   8.3446  ?   ?    98.221   15.722      ?      ? 
1 1 1   -9   33    2 o   51.585   21.478   4.0780   9.9153   0.0000   0.0000   4.0780   9.9153  ?   ?    51.585   21.478      ?      ? 
1 1 1   -9   33    3 o   53.438   22.353   4.3809   10.810   0.0000   0.0000   4.3809   10.810  ?   ?    53.438   22.353      ?      ? 
1 1 1   -9   33    4 o   40.913   17.988  -0.5776   7.6847   0.0000   0.0000  -0.5776   7.6847  ?   ?    40.913   17.988      ?      ? 
1 1 1   -9   33    5 o   91.333   14.310   24.696   6.5110   30.360   11.627   22.109   7.8587   97.334   22.549   85.332   17.627 12.00201 28.62073 
1 1 1   -9   33    6 o   55.151   14.745   7.3200   6.5687  -2.9212   11.498   12.282   8.0034   46.887   21.206   63.414   20.493 -16.52658 29.48971 
1 1 1   -9   33    7 o   69.206   15.956   15.029   6.6543   13.743   11.834   15.623   8.0469   67.717   24.779   70.696   20.108 -2.979324 31.91148 
1 1 1   -9   33    8 o  127.895   11.812   48.640   7.9848   57.068   11.019   39.322   11.587  140.991   14.463  114.799   18.678 26.19142 23.62316 
1 1 1   -9   33    9 o  115.733   13.407   40.488   8.1809   37.508   11.579   43.458   11.560  110.135   20.201  121.331   17.631 -11.19546 26.81325 
1 1 1   -9   33   10 o   61.127   16.390   9.3208   7.4952   5.4638   9.8915   14.521   11.486   53.423   21.764   68.831   24.513 -15.40849 32.78086 
1 1 1   -9   33   11 o  109.464   14.416   37.142   8.2116   37.009   11.481   37.282   11.750  109.410   20.162  109.518   20.610 -0.1086426 28.83215 
1 1 1   -9   33   12 o   87.058   16.639   24.788   8.0825   21.096   11.471   28.428   11.390   80.171   24.341   93.945   22.692 -13.77342 33.27794 
1 1 1   -9   33   13 o   49.995   15.102   0.8546   7.4128  -4.6753   9.9601   7.7209   11.099   41.944   19.261   58.047   23.265 -16.10259 30.20359 
1 1 1   -9   33   14 o   82.430   15.352   20.134   7.9211   6.1973   10.582   37.898   11.946   55.104   22.487  109.756   20.906 -54.65183 30.70366 
1 1 1   -9   33   15 o  102.209   15.342   33.726   8.2106   37.264   11.372   29.872   11.867  109.193   20.010   95.225   23.262 13.96745 30.68440 
1 1 1   -9   33   16 o   77.718   17.332   20.220   8.1915   17.300   11.460   23.270   11.713   72.461   24.562   82.974   24.460 -10.51348 34.66364 
1 1 1   -9   33   17 o   54.460   16.154   5.1576   8.0338   6.3067   11.097   3.8921   11.645   55.526   22.886   53.394   22.804 2.131790 32.30754 
1 1 1   -9   33   18 o   48.786   15.177   0.0982   7.6789  -2.8937   10.068   4.2591   11.873   43.450   19.728   54.122   23.068 -10.67219 30.35350 
1 1 1   -9   33   19 o   70.563   17.552   16.379   8.3291   17.681   11.581   14.984   11.988   72.737   24.691   68.388   24.953 4.349319 35.10356 
1 1 1   -9   33   20 o   62.172   17.105   11.173   8.2550   9.5695   11.302   13.006   12.086   59.467   23.594   64.877   24.772 -5.410313 34.20998 
1 1 1   -9   33   21 o   74.403   17.957   19.591   8.6524   18.131   11.831   21.270   12.687   71.997   24.939   76.809   25.844 -4.811996 35.91426 
1 1 1   -9   33   22 o   88.219   16.444   27.722   8.7860   40.834   12.252   13.841   12.606  111.294   21.146   65.144   25.190 46.14960 32.88873 
1 1 1   -9   33   23 o  105.203   15.729   37.219   8.8476   45.572   12.472   28.757   12.553  120.617   19.136   89.790   24.967 30.82658 31.45711 
1 1 1   -9   33   24 o  110.111   15.668   39.777   9.1465   49.077   13.355   31.561   12.552  124.948   19.780   95.274   24.304 29.67384 31.33575 
1 1 1   -9   33   26 o   60.301   19.725  -1.1391   14.866   6.6329   23.193  -6.5586   19.367   65.995   29.956   54.606   25.670 11.38930 39.44992 
1 1 1   -9   33   27 o   70.656   21.339   17.498   14.859   8.3063   23.316   23.784   19.281   65.033   29.718   76.280   30.632 -11.24724 42.67826 
1 1 1   -9   33   28 o   86.176   21.960   38.305   14.370   23.739   21.936   49.257   19.020   70.417   30.689  101.936   31.418 -31.51934 43.91969 
1 1 1   -9   33   29 o   73.395   18.913   23.984   9.8842   25.545   11.625   19.910   18.778   79.889   24.552   66.901   28.775 12.98874 37.82608 
1 1 1   -9   33   30 o   52.280   15.573   5.1086   7.9734   12.630   11.097  -2.9194   11.464   60.635   23.581   43.924   20.347 16.71094 31.14594 
1 1 1   -9   33   31 o  118.162   17.155   54.217   10.274   60.860   12.866   42.523   17.070  138.157   17.233   98.166   29.668 39.99110 34.31002 
1 1 1   -9   33   32 f   57.923   17.316   2.3780   9.7095 -11.7068   11.892   30.541   16.816   37.810   18.378   78.035   29.354 -40.22442 34.63209 
1 1 1   -9   34    1 o   95.481   15.730   26.756   8.1157   0.0000   0.0000   26.756   8.1157  ?   ?    95.481   15.730      ?      ? 
1 1 1   -9   34    2 o   46.288   19.234   3.2391   7.9295   0.0000   0.0000   3.2391   7.9295  ?   ?    46.288   19.234      ?      ? 
1 1 1   -9   34    3 o  138.612   15.149   56.072   11.347   0.0000   0.0000   56.072   11.347  ?   ?   138.612   15.149      ?      ? 
1 1 1   -9   34    4 o   79.635   23.316   21.109   10.675   0.0000   0.0000   21.109   10.675  ?   ?    79.635   23.316      ?      ? 
1 1 1   -9   34    5 o   56.157   21.024   8.6932   8.6063   0.0000   0.0000   8.6932   8.6063  ?   ?    56.157   21.024      ?      ? 
1 1 1   -9   34    6 o   73.243   15.672   16.904   6.5246   20.218   10.922   15.065   8.1358   77.758   23.782   68.727   20.417 9.031586 31.34447 
1 1 1   -9   34    7 o   74.733   16.313   18.421   7.1261   17.890   11.840   18.723   8.9232   73.331   24.965   76.134   21.005 -2.803215 32.62655 
1 1 1   -9   34    8 o  100.732   14.238   30.941   7.1433   35.811   12.400   28.522   8.7390  104.768   22.569   96.695   17.363 8.072861 28.47549 
1 1 1   -9   34    9 o   88.416   16.266   25.893   8.1072   17.877   11.268   34.497   11.674   73.330   24.351  103.503   21.572 -30.17387 32.53170 
1 1 1   -9   34   10 o   61.070   16.301   9.2578   7.5175   3.6837   9.8140   17.173   11.694   50.169   21.159   71.971   24.802 -21.80193 32.60154 
1 1 1   -9   34   11 o   53.579   15.957   4.7491   7.8705   3.0462   10.766   6.7036   11.535   50.835   21.824   56.324   23.284 -5.488285 31.91328 
1 1 1   -9   34   12 o   78.363   17.172   21.151   8.0055   21.958   10.470   20.015   12.421   80.747   22.926   75.979   25.572 4.767349 34.34420 
1 1 1   -9   34   13 o   74.776   17.047   18.089   7.8033   13.031   9.9618   26.121   12.553   63.786   22.817   85.766   25.333 -21.98015 34.09402 
1 1 1   -9   34   14 o   84.184   15.968   22.637   7.6689   13.802   9.8730   36.076   12.177   64.752   22.762  103.617   22.400 -38.86517 31.93568 
1 1 1   -9   34   15 o   50.189   15.513   1.1141   8.0228  -4.1110   10.549   8.2834   12.356   42.510   19.630   57.868   24.025 -15.35805 31.02510 
1 1 1   -9   34   16 o   72.433   17.202   17.462   8.1469   11.211   10.787   25.764   12.430   60.566   23.334   84.301   25.281 -23.73487 34.40381 
1 1 1   -9   34   17 o   42.933   14.129  -6.4948   8.1618  -0.7870   10.991 -13.5117   12.186   46.457   20.897   39.408   19.022 7.048473 28.25829 
1 1 1   -9   34   18 o   50.525   22.549   0.7083   12.529   0.0000   0.0000   0.7083   12.529  ?   ?    50.525   22.549      ?      ? 
1 1 1   -9   34   19 o   38.056   13.074 -16.3345   8.2519 -22.1507   10.894  -8.5041   12.640   32.548   16.158   43.563   20.558 -11.01485 26.14779 
1 1 1   -9   34   20 o  119.090   14.056   43.469   8.6865   33.831   11.329   57.218   13.532  101.700   21.298  136.480   18.348 -34.78063 28.11126 
1 1 1   -9   34   21 o   64.341   16.981   12.338   8.6277   20.211   11.665   2.8282   12.820   75.780   24.757   52.901   23.247 22.87915 33.96106 
1 1 1   -9   34   22 o   48.822   16.700 -20.9022   14.272 -48.7162   22.349  -1.7484   18.546   42.325   21.315   55.319   25.713 -12.99461 33.39901 
1 1 1   -9   34   23 o   74.926   20.732   24.043   14.445  -0.6455   22.432   41.532   18.880   56.672   26.933   93.181   31.526 -36.50909 41.46428 
1 1 1   -9   34   24 f   53.944   18.179  -5.9111   14.042   18.410   22.692 -21.0045   17.876   65.266   29.627   42.621   21.076 22.64505 36.35884 
1 1 1   -9   34   25 o   78.113   22.586   31.845   15.166   30.878   23.626   32.523   19.778   75.989   32.468   80.237   31.405 -4.247528 45.17159 
1 1 1   -9   34   26 o   43.528   14.270  -5.4822   8.4656   3.2363   11.226 -16.9778   12.890   49.185   21.679   37.870   18.563 11.31466 28.54043 
1 1 1   -9   34   27 o   44.636   14.597  -3.0344   8.5197   2.7728   11.518 -10.0502   12.660   48.557   21.649   40.715   19.585 7.842323 29.19385 
1 1 1   -9   34   28 o  100.426   16.117   37.312   8.9502   25.051   11.908   53.233   13.569   77.492   24.992  123.359   20.356 -45.86722 32.23311 
1 1 1   -9   35    1 o   35.537   16.573  -5.0539   7.8080   0.0000   0.0000  -5.0539   7.8080  ?   ?    35.537   16.573      ?      ? 
1 1 1   -9   35    2 o   59.234   20.935   11.049   8.3621   0.0000   0.0000   11.049   8.3621  ?   ?    59.234   20.935      ?      ? 
1 1 1   -9   35    3 o   41.194   18.201  -0.0737   7.9601   0.0000   0.0000  -0.0737   7.9601  ?   ?    41.194   18.201      ?      ? 
1 1 1   -9   35    4 o   58.851   22.989   10.033   10.583   0.0000   0.0000   10.033   10.583  ?   ?    58.851   22.989      ?      ? 
1 1 1   -9   35    5 o   70.048   24.566   16.927   11.497   0.0000   0.0000   16.927   11.497  ?   ?    70.048   24.566      ?      ? 
1 1 1   -9   35    6 o   84.376   19.297   22.953   8.6070   0.0000   0.0000   22.953   8.6070  ?   ?    84.376   19.297      ?      ? 
1 1 1   -9   35    7 o   49.209   15.028   3.0262   7.1213   0.5122   12.218   4.3196   8.7637   49.809   22.246   48.609   20.212 1.199749 30.05650 
1 1 1   -9   35    8 o  162.189   10.588   70.292   8.7602  103.378   15.953   56.008   10.482  186.003   15.872  138.374   14.018 47.62897 21.17658 
1 1 1   -9   35    9 o   44.177   14.050  -9.2853   7.3421   8.8063   11.931 -20.3133   9.3148   58.648   23.899   29.706   14.779 28.94126 28.09916 
1 1 1   -9   35   10 o   63.434   15.363   7.0828   8.5829   26.569   11.745 -15.2535   12.574   87.492   24.082   39.377   19.083 48.11452 30.72608 
1 1 1   -9   35   11 o  127.396   19.801   50.867   13.631   0.0000   0.0000   50.867   13.631  ?   ?   127.396   19.801      ?      ? 
1 1 1   -9   35   12 o  129.501   18.923   51.910   13.242   0.0000   0.0000   51.910   13.242  ?   ?   129.501   18.923      ?      ? 
1 1 1   -9   35   13 o  157.585   11.229   73.020   9.4554   59.829   12.655   89.689   14.226  140.998   16.610  174.172   15.115 -33.17410 22.45820 
1 1 1   -9   35   14 o   64.338   17.293   11.400   8.5557   4.3967   11.201   21.209   13.256   52.235   22.338   76.441   26.403 -24.20542 34.58511 
1 1 1   -9   35   15 f   46.533   15.109  -2.9263   8.5816  -5.0852   11.416  -0.1215   13.012   43.199   20.111   49.867   22.555 -6.667614 30.21893 
1 1 1   -9   35   16 o   56.679   16.276   7.7773   8.4964   16.230   11.537  -2.2402   12.559   66.783   24.462   46.575   21.476 20.20811 32.55180 
1 1 1   -9   35   17 o   50.038   15.750   3.6494   8.6099   5.2681   11.683   1.7256   12.737   51.120   22.335   48.957   22.213 2.162624 31.50027 
1 1 1   -9   35   18 o   53.546   26.104  -7.6104   24.500  -7.6104   24.500   0.0000   0.0000   53.546   26.104  ?   ?       ?      ? 
1 1 1   -9   35   19 o   42.982   21.756 -50.4730   25.046 -50.4730   25.046   0.0000   0.0000   42.982   21.756  ?   ?       ?      ? 
1 1 1   -9   35   22 o   67.797   18.926   8.6976   10.664  -6.1892   12.806   42.365   19.259   43.225   20.487   92.369   31.829 -49.14372 37.85213 
1 1 1   -9   35   23 o   50.552   16.454   2.5762   10.223   3.0225   13.151   1.8948   16.251   49.561   22.520   51.543   23.995 -1.982483 32.90707 
1 1 1   -9   35   24 o   74.530   19.710   24.611   10.722   15.354   13.634   39.617   17.358   61.222   25.312   87.839   30.220 -26.61699 39.42058 
1 1 1   -9   36    1 o   79.270   25.243   24.949   12.177   0.0000   0.0000   24.949   12.177  ?   ?    79.270   25.243      ?      ? 
1 1 1   -9   36    2 o   66.632   24.825   17.113   11.971   0.0000   0.0000   17.113   11.971  ?   ?    66.632   24.825      ?      ? 
1 1 1   -9   36    3 o   49.464   21.796   3.8758   11.341   0.0000   0.0000   3.8758   11.341  ?   ?    49.464   21.796      ?      ? 
1 1 1   -9   36    4 o   48.791   21.647   3.3150   11.374   0.0000   0.0000   3.3150   11.374  ?   ?    48.791   21.647      ?      ? 
1 1 1   -9   36    7 f   46.095   15.123  -0.9588   8.8605   1.5045   10.912  -5.7252   15.179   45.977   20.739   46.213   22.017 -0.2358208 30.24645 
1 1 1   -9   36    8 o   64.186   18.238   15.230   9.6066   9.0495   12.336   24.752   15.313   54.993   23.478   73.378   27.915 -18.38552 36.47602 
1 1 1   -9   36    9 o   67.617   18.445   19.148   10.182   25.833   13.485   10.279   15.531   77.275   26.633   57.959   25.525 19.31593 36.89004 
1 1 1   -9   36   10 o   53.018   16.301   5.9728   9.1609   11.601   11.513  -3.7410   15.125   58.301   23.579   47.736   22.515 10.56503 32.60236 
1 1 1   -9   36   11 o   79.250   17.087   17.577   9.4194   0.5435   11.688   49.144   15.911   46.911   21.282  111.588   26.737 -64.67697 34.17353 
1 1 1   -9   36   12 o   49.121   15.906  -0.1466   9.2236  -2.5045   11.746   3.6464   14.897   44.687   20.663   53.555   24.187 -8.868309 31.81129 
1 1 1   -9   36   13 o   46.082   22.139 -10.2365   16.058   0.0000   0.0000 -10.2365   16.058  ?   ?    46.082   22.139      ?      ? 
1 1 1   -9   36   18 o   61.044   17.165   13.570   9.0802   4.0631   12.638   23.713   13.054   49.383   22.293   72.704   26.108 -23.32033 34.33072 
1 1 1   -9   37    1 o   52.105   20.121   8.9787   8.0353   0.0000   0.0000   8.9787   8.0353  ?   ?    52.105   20.121      ?      ? 
1 1 1   -9   37    2 o   43.818   19.079   3.0996   8.4614   0.0000   0.0000   3.0996   8.4614  ?   ?    43.818   19.079      ?      ? 
1 1 1   -9   37    3 o   46.225   19.507   5.0630   8.3494   0.0000   0.0000   5.0630   8.3494  ?   ?    46.225   19.507      ?      ? 
1 1 1   -9   37    4 o   49.162   20.054   7.0824   8.4119   0.0000   0.0000   7.0824   8.4119  ?   ?    49.162   20.054      ?      ? 
1 1 1   -9   37    5 o   51.578   20.463   8.6326   8.5007   0.0000   0.0000   8.6326   8.5007  ?   ?    51.578   20.463      ?      ? 
1 1 1   -9   37    6 o   89.339   20.973   29.243   9.9513   0.0000   0.0000   29.243   9.9513  ?   ?    89.339   20.973      ?      ? 
1 1 1   -9   37    7 o   39.954   18.837  -4.3110   10.568   0.0000   0.0000  -4.3110   10.568  ?   ?    39.954   18.837      ?      ? 
1 1 1   -8    0    1 o  244.219   3.7427  161.382   6.9775  161.382   6.9775  161.382   6.9775  244.219   5.2929  244.219   5.2929 0.000000 0.000000 
1 1 1   -8    0    2 o  551.422   6.8952  822.471   29.035  822.471   29.035  822.471   29.035  551.422   9.7513  551.422   9.7513 0.000000 0.000000 
1 1 1   -8    0    3 o  199.709   3.4180  107.953   5.2095  107.953   5.2095  107.953   5.2095  199.709   4.8338  199.709   4.8338 0.000000 0.000000 
1 1 1   -8    0    4 o  1408.10   16.734  5367.51  179.953  5367.51  179.953  5367.51  179.953  1408.10   23.665  1408.10   23.665 0.000000 0.000000 
1 1 1   -8    0    5 o  1578.44   18.728  6746.29  225.764  6746.29  225.764  6746.29  225.764  1578.44   26.486  1578.44   26.486 0.000000 0.000000 
1 1 1   -8    0    6 o  255.243   3.9040  176.278   7.6068  176.278   7.6068  176.278   7.6068  255.243   5.5210  255.243   5.5210 0.000000 0.000000 
1 1 1   -8    0    7 o  1372.39   16.328  5098.03  171.133  5098.03  171.133  5098.03  171.133  1372.39   23.091  1372.39   23.091 0.000000 0.000000 
1 1 1   -8    0    8 o  2317.92   27.413 14568.55  485.276 14568.55  485.276 14568.55  485.276  2317.92   38.768  2317.92   38.768 0.000000 0.000000 
1 1 1   -8    0    9 o  351.625   4.8226  334.460   12.948  334.460   12.948  334.460   12.948  351.625   6.8202  351.625   6.8202 0.000000 0.000000 
1 1 1   -8    0   10 o  1565.09   18.579  6632.81  222.070  6632.81  222.070  6632.81  222.070  1565.09   26.275  1565.09   26.275 0.000000 0.000000 
1 1 1   -8    0   11 f  592.524   7.3932  949.685   33.453  949.685   33.453  949.685   33.453  592.524   10.456  592.524   10.456 0.000000 0.000000 
1 1 1   -8    0   12 o  259.975   4.0602  182.891   8.0576  182.891   8.0576  182.891   8.0576  259.975   5.7420  259.975   5.7420 0.000000 0.000000 
1 1 1   -8    0   13 o  1828.15   21.671  9059.10  302.562  9059.10  302.562  9059.10  302.562  1828.15   30.647  1828.15   30.647 0.000000 0.000000 
1 1 1   -8    0   14 o  880.759   10.650  2098.99   71.633  2098.99   71.633  2098.99   71.633  880.759   15.061  880.759   15.061 0.000000 0.000000 
1 1 1   -8    0   15 o  275.752   4.2318  205.757   8.9082  205.757   8.9082  205.757   8.9082  275.752   5.9847  275.752   5.9847 0.000000 0.000000 
1 1 1   -8    0   16 o  492.910   6.3414  657.301   23.869  657.301   23.869  657.301   23.869  492.910   8.9682  492.910   8.9682 0.000000 0.000000 
1 1 1   -8    0   17 o  1172.92   14.045  3727.69  125.809  3727.69  125.809  3727.69  125.809  1172.92   19.863  1172.92   19.863 0.000000 0.000000 
1 1 1   -8    0   18 o  102.276   4.1272   28.543   3.2017   28.543   3.2017   28.543   3.2017  102.276   5.8367  102.276   5.8367 0.000000 0.000000 
1 1 1   -8    0   19 o  292.958   4.4456  232.256   9.9423  232.256   9.9423  232.256   9.9423  292.958   6.2870  292.958   6.2870 0.000000 0.000000 
1 1 1   -8    0   20 o  525.046   6.7217  745.956   26.950  745.956   26.950  745.956   26.950  525.046   9.5059  525.046   9.5059 0.000000 0.000000 
1 1 1   -8    0   24 o  1277.64   15.291  4428.92  149.198  4428.92  149.198  4428.92  149.198  1277.64   21.625  1277.64   21.625 0.000000 0.000000 
1 1 1   -8    0   25 o  126.832   4.7920   43.847   4.6143   43.847   4.6143   43.847   4.6143  126.832   6.7769  126.832   6.7769 0.000000 0.000000 
1 1 1   -8    0   26 o  868.495   10.567  2042.68   70.087  2042.68   70.087  2042.68   70.087  868.495   14.944  868.495   14.944 0.000000 0.000000 
1 1 1   -8    0   27 o   77.295   6.8586   16.898   3.8783   16.898   3.8783   16.898   3.8783   77.295   9.6995   77.295   9.6995 0.000000 0.000000 
1 1 1   -8    0   28 o  370.981   5.3168  372.412   15.059  372.412   15.059  372.412   15.059  370.981   7.5191  370.981   7.5191 0.000000 0.000000 
1 1 1   -8    0   30 o  2177.10   25.878 12891.55  430.267 12891.55  430.267 12891.55  430.267  2177.10   36.597  2177.10   36.597 0.000000 0.000000 
1 1 1   -8    0   31 o  1037.26   12.524  2913.01   99.211  2913.01   99.211  2913.01   99.211  1037.26   17.712  1037.26   17.712 0.000000 0.000000 
1 1 1   -8    0   32 o  316.893   5.1427  271.807   12.439  271.807   12.439  271.807   12.439  316.893   7.2728  316.893   7.2728 0.000000 0.000000 
1 1 1   -8    0   33 o  511.164   6.7702  706.982   26.425  706.982   26.425  706.982   26.425  511.164   9.5744  511.164   9.5744 0.000000 0.000000 
1 1 1   -8    0   34 o  187.859   5.0464   95.784   7.2209   95.784   7.2209   95.784   7.2209  187.859   7.1367  187.859   7.1367 0.000000 0.000000 
1 1 1   -8    0   35 o  1642.90   19.570  7324.23  245.540  7324.23  245.540  7324.23  245.540  1642.90   27.676  1642.90   27.676 0.000000 0.000000 
1 1 1   -8    0   36 o  341.391   5.3849  315.456   14.033  315.456   14.033  315.456   14.033  341.391   7.6154  341.391   7.6154 0.000000 0.000000 
1 1 1   -8    0   37 o  444.064   6.2517  533.663   21.196  533.663   21.196  533.663   21.196  444.064   8.8413  444.064   8.8413 0.000000 0.000000 
1 1 1   -8    0   38 o  177.801   6.0664   86.045   8.1989   86.045   8.1989   86.045   8.1989  177.801   8.5792  177.801   8.5792 0.000000 0.000000 
1 1 1   -8    0   39 o  163.308   6.7705   72.839   8.3830   72.839   8.3830   72.839   8.3830  163.308   9.5749  163.308   9.5749 0.000000 0.000000 
1 1 1   -8    0   40 o  612.438   7.9824  1015.32   37.331  1015.32   37.331  1015.32   37.331  612.438   11.289  612.438   11.289 0.000000 0.000000 
1 1 1   -8    0   42 o   30.900   14.092  -0.0917   7.7205  -0.0917   7.7205  -0.0917   7.7205   30.900   19.929   30.900   19.929 0.000000 0.000000 
1 1 1   -8    0   43 o  672.039   8.5501  1223.18   43.878  1223.18   43.878  1223.18   43.878  672.039   12.092  672.039   12.092 0.000000 0.000000 
1 1 1   -8    0   44 o  557.961   7.4144  843.203   31.589  843.203   31.589  843.203   31.589  557.961   10.486  557.961   10.486 0.000000 0.000000 
1 1 1   -8    0   45 o  647.178   8.2981  1134.91   41.010  1134.91   41.010  1134.91   41.010  647.178   11.735  647.178   11.735 0.000000 0.000000 
1 1 1   -8    0   46 o  446.111   6.3976  539.074   21.790  539.074   21.790  539.074   21.790  446.111   9.0475  446.111   9.0475 0.000000 0.000000 
1 1 1   -8    0   47 o  250.802   5.6249  170.673   10.756  170.673   10.756  170.673   10.756  250.802   7.9549  250.802   7.9549 0.000000 0.000000 
1 1 1   -8    0   48 o  496.990   6.8460  669.530   25.979  669.530   25.979  669.530   25.979  496.990   9.6817  496.990   9.6817 0.000000 0.000000 
1 1 1   -8    0   49 o  921.865   11.347  2314.20   79.885  2314.20   79.885  2314.20   79.885  921.865   16.047  921.865   16.047 0.000000 0.000000 
1 1 1   -8    0   52 o  208.535   6.0506  118.443   9.6053  118.443   9.6053  118.443   9.6053  208.535   8.5568  208.535   8.5568 0.000000 0.000000 
1 1 1   -8    0   53 o  157.073   6.5824   67.630   7.8375   67.630   7.8375   67.630   7.8375  157.073   9.3089  157.073   9.3089 0.000000 0.000000 
1 1 1   -8    0   54 o   51.952   16.302   10.734   6.8361   10.734   6.8361   10.734   6.8361   51.952   23.055   51.952   23.055 0.000000 0.000000 
1 1 1   -8    0   55 f   46.101   16.252   8.7253   6.9601   8.7253   6.9601   8.7253   6.9601   46.101   22.983   46.101   22.983 0.000000 0.000000 
1 1 1   -8    0   56 o   21.777   10.793  -6.9152   6.7814  -6.9152   6.7814  -6.9152   6.7814   21.777   15.263   21.777   15.263 0.000000 0.000000 
1 1 1   -8    0   57 o   56.117   19.585   13.255   10.067   13.255   10.067   13.255   10.067   56.117   27.698   56.117   27.698 0.000000 0.000000 
1 1 1   -8    0   58 o   38.526   15.599   5.5311   7.2661   5.5311   7.2661   5.5311   7.2661   38.526   22.061   38.526   22.061 0.000000 0.000000 
1 1 1   -8    0   59 o  139.919   11.235   56.194   11.613   56.194   11.613   56.194   11.613  139.919   15.889  139.919   15.889 0.000000 0.000000 
1 1 1   -8    0   60 o  307.378   5.8356  257.765   13.685  257.765   13.685  257.765   13.685  307.378   8.2528  307.378   8.2528 0.000000 0.000000 
1 1 1   -8    0   61 o   77.815   14.462   20.031   7.4303   20.031   7.4303   20.031   7.4303   77.815   20.452   77.815   20.452 0.000000 0.000000 
1 1 1   -8    0   62 o  315.435   5.7762  271.871   13.903  271.871   13.903  271.871   13.903  315.435   8.1688  315.435   8.1688 0.000000 0.000000 
1 1 1   -8    0   63 o   32.923   14.473   2.5867   7.3300   2.5867   7.3300   2.5867   7.3300   32.923   20.467   32.923   20.467 0.000000 0.000000 
1 1 1   -8    0   64 o   86.557   13.947   24.116   8.0397   24.116   8.0397   24.116   8.0397   86.557   19.724   86.557   19.724 0.000000 0.000000 
1 1 1   -8    0   65 o   62.786   17.748   15.871   8.2556   15.871   8.2556   15.871   8.2556   62.786   25.099   62.786   25.099 0.000000 0.000000 
1 1 1   -8    0   66 o   42.623   16.494   8.0612   7.6823   8.0612   7.6823   8.0612   7.6823   42.623   23.326   42.623   23.326 0.000000 0.000000 
1 1 1   -8    0   67 o  239.431   6.4067  158.130   11.684  158.130   11.684  158.130   11.684  239.431   9.0605  239.431   9.0605 0.000000 0.000000 
1 1 1   -8    0   68 o  167.566   7.8893   79.506   9.9996   79.506   9.9996   79.506   9.9996  167.566   11.157  167.566   11.157 0.000000 0.000000 
1 1 1   -8    0   69 o  269.568   6.2140  201.331   12.770  201.331   12.770  201.331   12.770  269.568   8.7880  269.568   8.7880 0.000000 0.000000 
1 1 1   -8    0   70 o  100.964   12.910   32.835   8.9941   32.835   8.9941   32.835   8.9941  100.964   18.258  100.964   18.258 0.000000 0.000000 
1 1 1   -8    1    1 o  142.666   3.0932   54.993   2.3845   55.281   3.3935   54.713   3.3511  143.034   4.3906  142.298   4.3582 0.7368774 6.186367 
1 1 1   -8    1    2 o  411.771   5.3866  458.184   11.985  461.374   17.057  455.073   16.844  413.186   7.6394  410.355   7.5960 2.830566 10.77310 
1 1 1   -8    1    3 o  498.266   6.3203  670.839   17.014  662.434   23.807  679.613   24.325  495.078   8.8992  501.455   8.9771 -6.377106 12.64056 
1 1 1   -8    1    4 o  2120.44   25.117 12207.31  287.780 12146.33  404.738 12269.66  409.266  2115.12   35.412  2125.76   35.629 -10.64697 50.23378 
1 1 1   -8    1    5 o  668.252   8.1970  1207.09   29.599  1200.75   41.651  1213.56   42.070  666.481   11.565  670.023   11.620 -3.542175 16.39410 
1 1 1   -8    1    6 o  596.555   7.4005  961.899   23.856  959.174   33.655  964.651   33.821  595.706   10.455  597.404   10.477 -1.697998 14.80109 
1 1 1   -8    1    7 o  1139.47   13.600  3512.69   83.735  3524.75  118.836  3500.80  118.008  1141.41   19.267  1137.53   19.198 3.879395 27.19919 
1 1 1   -8    1    8 o  730.471   8.9130  1442.51   35.181  1443.56   49.812  1441.46   49.696  730.737   12.615  730.205   12.595 0.5319214 17.82591 
1 1 1   -8    1    9 o  727.153   8.8745  1428.96   34.861  1409.40   48.624  1449.66   50.007  722.036   12.462  732.271   12.638 -10.23523 17.74902 
1 1 1   -8    1   10 o  411.664   5.4421  456.978   12.087  475.482   17.700  440.809   16.546  419.454   7.8092  403.874   7.5817 15.58063 10.88416 
1 1 1   -8    1   11 o  626.924   7.7636  1062.24   26.296  1050.38   36.783  1074.65   37.608  623.344   10.920  630.503   11.038 -7.158875 15.52725 
1 1 1   -8    1   12 o  1028.40   12.332  2861.03   68.518  2828.83   95.772  2894.79   98.067  1022.49   17.334  1034.32   17.546 -11.83289 24.66418 
1 1 1   -8    1   13 o  574.777   7.1966  892.825   22.347  881.578   31.220  904.644   32.003  571.067   10.117  578.486   10.238 -7.418945 14.39326 
1 1 1   -8    1   14 o  1257.72   15.002  4284.00  101.955  4269.78  143.678  4298.42  144.700  1255.62   21.176  1259.81   21.256 -4.192383 30.00368 
1 1 1   -8    1   15 o  1108.84   13.278  3328.93   79.557  3349.01  113.208  3309.33  111.826  1112.14   18.838  1105.54   18.719 6.592773 26.55665 
1 1 1   -8    1   16 o  279.016   4.2752  210.310   6.4437  206.865   8.9796  213.966   9.2521  276.662   6.0065  281.369   6.0852 -4.706909 8.550330 
1 1 1   -8    1   17 o  883.620   10.699  2114.46   51.084  2123.74   72.585  2105.35   71.907  885.536   15.169  881.705   15.093 3.830750 21.39802 
1 1 1   -8    1   18 o  627.987   7.8211  1066.72   26.536  1055.64   37.130  1078.29   37.938  624.658   11.000  631.316   11.121 -6.657227 15.64215 
1 1 1   -8    1   19 o  539.707   6.8616  787.836   20.011  785.511   28.235  790.183   28.366  538.908   9.6957  540.507   9.7119 -1.599182 13.72322 
1 1 1   -8    1   20 o  167.524   3.9465   75.777   3.5707   78.386   5.1499   73.362   4.9553  170.298   5.5963  164.750   5.5661 5.547836 7.893053 
1 1 1   -8    1   23 o  503.514   13.109  686.712   35.668  686.712   35.668   0.0000   0.0000  503.514   13.109  ?   ?       ?      ? 
1 1 1   -8    1   24 o   92.597   5.1529   23.184   2.5782   23.270   3.6353   23.098   3.6572   92.769   7.2518   92.425   7.3226 0.3437958 10.30578 
1 1 1   -8    1   25 o  863.542   10.507  2020.66   49.031  2020.12   69.314  2021.20   69.366  863.427   14.856  863.657   14.863 -0.2299805 21.01494 
1 1 1   -8    1   26 o  416.434   5.6749  468.929   12.770  469.189   18.089  468.671   18.031  416.548   8.0362  416.319   8.0149 0.2288208 11.34984 
1 1 1   -8    1   27 o  486.541   6.3773  640.026   16.764  632.400   23.461  647.982   23.963  483.582   8.9780  489.500   9.0595 -5.917603 12.75461 
1 1 1   -8    1   28 o  667.652   8.3244  1205.81   30.027  1220.14   42.962  1192.13   41.984  671.522   11.840  663.782   11.705 7.740662 16.64878 
1 1 1   -8    1   29 o  624.141   7.8597  1053.77   26.508  1053.98   37.497  1053.56   37.479  624.203   11.117  624.078   11.114 0.1252441 15.71946 
1 1 1   -8    1   30 o  837.196   10.231  1897.09   46.282  1903.98   65.723  1890.31   65.186  838.701   14.502  835.691   14.435 3.010498 20.46157 
1 1 1   -8    1   31 o  1472.67   17.583  5887.54  139.914  5918.92  199.014  5856.88  196.743  1476.52   24.943  1468.81   24.788 7.714600 35.16572 
1 1 1   -8    1   32 f  676.919   8.4675  1239.44   30.972  1234.37   43.662  1244.57   43.943  675.527   11.961  678.311   11.989 -2.784363 16.93505 
1 1 1   -8    1   33 o  687.055   8.5888  1276.99   31.886  1271.74   44.913  1282.32   45.277  685.635   12.123  688.476   12.170 -2.841003 17.17765 
1 1 1   -8    1   34 o  1198.22   14.386  3893.22   93.147  3904.83  132.168  3881.76  131.297  1199.99   20.383  1196.45   20.308 3.534790 28.77282 
1 1 1   -8    1   35 o  305.904   5.1026  252.939   8.4344  250.390   11.886  255.525   11.971  304.351   7.2270  307.457   7.2054 -3.105438 10.20525 
1 1 1   -8    1   36 o  684.503   8.5946  1267.54   31.783  1252.07   44.407  1283.79   45.511  680.229   12.081  688.778   12.228 -8.548828 17.18923 
1 1 1   -8    1   37 o  636.328   8.1122  1095.55   27.890  1084.42   39.072  1107.12   39.825  633.038   11.422  639.619   11.523 -6.581787 16.22443 
1 1 1   -8    1   38 o  894.570   10.958  2167.57   52.956  2137.34   73.879  2199.52   75.947  888.173   15.393  900.966   15.600 -12.79254 21.91588 
1 1 1   -8    1   39 o  342.865   5.6850  316.083   10.502  342.818   15.593  293.890   14.207  356.056   8.1042  329.674   7.9749 26.38190 11.37005 
1 1 1   -8    1   40 o  1286.93   15.489  4503.79  107.705  4472.97  151.243  4535.50  153.416  1282.50   21.824  1291.37   21.985 -8.872314 30.97785 
1 1 1   -8    1   41 o   68.628   13.939   13.079   5.5421   9.7624   7.9995   16.140   7.6853   61.645   20.520   75.611   18.870 -13.96620 27.87741 
1 1 1   -8    1   42 o  589.123   7.7055  939.727   24.530  941.973   34.794  937.507   34.587  589.821   10.917  588.426   10.878 1.395203 15.41100 
1 1 1   -8    1   43 o  823.308   10.203  1838.98   45.391  1838.65   64.205  1839.30   64.179  823.235   14.433  823.382   14.425 -0.1470337 20.40551 
1 1 1   -8    1   44 o  275.657   5.6842  205.345   8.4607  215.447   12.228  196.067   11.719  282.152   8.0203  269.161   8.0571 12.99124 11.36844 
1 1 1   -8    1   45 o  467.654   6.5738  592.297   16.612  596.500   23.563  588.145   23.424  469.303   9.2915  466.004   9.3020 3.299500 13.14761 
1 1 1   -8    1   46 o  337.915   5.6993  309.172   10.406  303.685   14.695  314.691   14.737  334.902   8.1202  340.928   7.9993 -6.025848 11.39856 
1 1 1   -8    1   47 o  810.822   10.103  1790.61   44.265  1779.77   62.243  1801.70   62.965  808.357   14.249  813.287   14.327 -4.930115 20.20695 
1 1 1   -8    1   48 o  389.592   5.9916  410.617   12.599  394.750   17.316  428.464   18.365  381.622   8.3972  397.562   8.5489 -15.93924 11.98312 
1 1 1   -8    1   49 o  496.306   8.3701  670.199   21.179  671.847   36.622  669.371   25.960  496.138   13.660  496.473   9.6767 -0.3352051 16.74023 
1 1 1   -8    1   52 o  386.874   7.3254  405.735   14.341  414.640   25.280  401.510   17.414  389.389   12.014  384.360   8.3845 5.029144 14.65070 
1 1 1   -8    1   53 o  237.774   5.6218  153.603   7.2210  158.871   10.328  148.564   10.100  241.769   7.9053  233.779   7.9952 7.989838 11.24350 
1 1 1   -8    1   54 f  186.622   6.1583   94.852   6.2100   94.643   8.8208   95.058   8.7443  186.410   8.7569  186.834   8.6612 -0.4245911 12.31665 
1 1 1   -8    1   55 o  204.597   5.9214  113.785   6.5372  120.862   9.5511  107.549   8.9667  210.560   8.3944  198.634   8.3539 11.92622 11.84289 
1 1 1   -8    1   56 o  285.996   6.8600  227.182   10.063  234.941   12.538  213.131   16.872  293.592   7.9028  278.401   11.215 15.19037 13.72005 
1 1 1   -8    1   57 o  262.253   6.9141  186.731   9.3343  182.449   11.505  194.977   15.967  258.470   8.2373  266.036   11.107 -7.566589 13.82823 
1 1 1   -8    1   58 o  245.195   8.0556  164.386   10.673   0.0000   0.0000  164.386   10.673  ?   ?   245.195   8.0556      ?      ? 
1 1 1   -8    1   59 o  232.117   7.1467  149.457   8.6871  152.121   11.067  145.180   14.021  235.449   8.6986  228.784   11.342 6.664322 14.29338 
1 1 1   -8    1   60 o   80.623   13.368   21.302   6.0079   27.589   7.5650   10.565   9.8862   98.850   14.163   62.396   22.676 36.45483 26.73553 
1 1 1   -8    1   61 o  118.425   8.7845   39.364   5.5894   44.929   8.0352   34.146   7.7802  126.777   11.729  110.073   13.080 16.70380 17.56905 
1 1 1   -8    1   62 o   69.582   13.405   15.000   5.2911   11.239   7.6613   18.429   7.3160   61.299   20.066   77.864   17.779 -16.56427 26.80930 
1 1 1   -8    1   63 o  238.775   5.9500  157.326   7.6754  154.624   10.896  159.987   10.814  236.678   8.5195  240.873   8.3082 -4.195206 11.89990 
1 1 1   -8    1   64 o  121.777   9.0776   42.135   5.9620   45.891   8.6774   38.777   8.2054  126.997   12.645  116.558   13.028 10.43947 18.15519 
1 1 1   -8    1   65 o  151.019   7.6502   64.375   6.2149   71.138   8.7898   57.613   8.7886  159.305   10.211  142.733   11.395 16.57191 15.30042 
1 1 1   -8    1   66 o  150.524   7.9219   64.635   6.3984   74.776   9.2278   55.244   8.8797  162.370   10.517  138.679   11.849 23.69064 15.84372 
1 1 1   -8    1   67 f  132.099   9.1539   50.705   6.4785   44.871   9.3404   56.113   8.9933  124.056   13.934  140.142   11.876 -16.08578 18.30788 
1 1 1   -8    1   68 o  116.561   10.333   41.363   6.4851   38.903   9.3343   43.659   9.0166  112.537   15.350  120.585   13.838 -8.047737 20.66618 
1 1 1   -8    1   69 o  175.434   7.3392   88.331   6.9557   88.318   9.9439   88.344   9.7332  175.303   10.497  175.564   10.260 -0.2618103 14.67838 
1 1 1   -8    1   70 o  140.006   8.9926   59.311   6.7925   57.354   9.7499   61.156   9.4685  137.251   13.146  142.762   12.274 -5.511856 17.98521 
1 1 1   -8    2    2 o  586.646   7.2914  930.226   23.114  930.268   32.691  930.183   32.685  586.659   10.312  586.632   10.311 0.2697754E-01 14.58271 
1 1 1   -8    2    3 o  1268.22   15.098  4352.74  103.459  4321.29  145.263  4385.12  147.388  1263.58   21.275  1272.86   21.429 -9.282959 30.19590 
1 1 1   -8    2    4 o  824.625   9.9753  1838.61   44.449  1842.54   63.024  1834.72   62.699  825.501   14.129  823.749   14.086 1.751831 19.95054 
1 1 1   -8    2    5 o  1127.78   13.467  3439.28   82.033  3383.17  114.052  3499.42  118.076  1118.27   18.874  1137.30   19.213 -19.02393 26.93304 
1 1 1   -8    2    6 o  209.316   5.0543  118.387   5.7168   0.0000   0.0000  118.387   5.7168  ?   ?   209.316   5.0543      ?      ? 
1 1 1   -8    2    7 o  1843.04   21.839  9208.96  217.482  9145.23  305.333  9274.59  309.850  1836.59   30.766  1849.49   31.004 -12.89429 43.67810 
1 1 1   -8    2    8 o  988.886   11.874  2643.49   63.420  2599.44   88.135  2690.78   91.330  980.357   16.637  997.414   16.945 -17.05707 23.74739 
1 1 1   -8    2    9 o  1054.27   12.624  3006.44   71.913  2983.46  100.896  3030.16  102.523  1050.18   17.780  1058.35   17.927 -8.176025 25.24857 
1 1 1   -8    2   10 o  365.629   4.9904  361.250   9.8592  363.152   14.027  359.393   13.861  366.580   7.0812  364.678   7.0337 1.901733 9.980804 
1 1 1   -8    2   11 o  148.410   3.4497   59.407   2.7631   55.504   3.8247   63.666   3.9962  143.321   4.9385  153.498   4.8179 -10.17696 6.899371 
1 1 1   -8    2   12 o  760.670   9.2706  1563.92   38.092  1538.64   52.996  1590.94   54.788  754.320   13.002  767.021   13.219 -12.70160 18.54125 
1 1 1   -8    2   13 o  1346.07   16.028  4908.45  116.585  4905.86  164.815  4911.03  164.938  1345.72   22.665  1346.43   22.670 -0.7080078 32.05656 
1 1 1   -8    2   14 o  607.414   7.5671  997.473   24.837  995.988   35.090  998.964   35.160  606.961   10.699  607.867   10.704 -0.9057617 15.13423 
1 1 1   -8    2   15 o  241.148   4.0019  157.111   5.2131  158.700   7.4838  155.612   7.2658  242.333   5.7151  239.964   5.6034 2.368561 8.003731 
1 1 1   -8    2   16 o  419.948   5.5969  476.733   12.700  479.176   18.063  474.344   17.860  421.011   7.9398  418.884   7.8905 2.127045 11.19373 
1 1 1   -8    2   17 o  661.227   8.1885  1182.53   29.250  1200.67   41.979  1165.41   40.778  666.147   11.662  656.307   11.498 9.840210 16.37706 
1 1 1   -8    2   18 o  633.732   7.8843  1086.27   26.994  1072.37   37.698  1100.90   38.671  629.578   11.081  637.886   11.219 -8.308228 15.76870 
1 1 1   -8    2   19 o  448.400   5.9062  543.668   14.311  541.828   20.187  545.527   20.290  447.638   8.3456  449.163   8.3598 -1.524841 11.81250 
1 1 1   -8    2   20 o  725.546   10.908  1429.69   40.478  1416.22   69.373  1436.65   49.842  722.606   17.767  728.487   12.662 -5.880798 21.81660 
1 1 1   -8    2   23 o  223.569   5.2383  138.382   6.0097  124.302   9.9537  146.459   7.5389  214.374   8.5926  232.763   5.9939 -18.38872 10.47659 
1 1 1   -8    2   24 o  527.702   6.7775  753.339   19.326  753.876   27.375  752.804   27.287  527.889   9.5969  527.515   9.5727 0.3739014 13.55496 
1 1 1   -8    2   25 o  132.840   4.4325   47.731   3.1798   46.174   4.5202   49.256   4.4740  130.694   6.4006  134.987   6.1337 -4.293289 8.865046 
1 1 1   -8    2   26 o   53.420   8.3522   7.8618   2.5668   2.7897   3.5613   13.345   3.7029   36.602   13.559   70.239   9.7561 -33.63719 16.70434 
1 1 1   -8    2   27 o  357.296   5.1491  345.060   9.9404  340.858   13.942  349.404   14.176  355.085   7.2663  359.508   7.2974 -4.422913 10.29813 
1 1 1   -8    2   28 o  1268.52   15.198  4368.30  104.174  4366.31  147.273  4370.30  147.375  1268.23   21.490  1268.80   21.495 -0.5786133 30.39519 
1 1 1   -8    2   29 o  1220.83   14.642  4043.39   96.594  4043.38  136.615  4043.39  136.593  1220.83   20.709  1220.83   20.706 -0.1831055E-02 29.28444 
1 1 1   -8    2   30 o  440.313   5.9928  524.135   14.259  523.311   20.116  524.966   20.214  439.966   8.4612  440.661   8.4890 -0.6945190 11.98563 
1 1 1   -8    2   31 o  1635.61   19.498  7268.71  172.295  7183.80  240.635  7358.04  246.806  1625.88   27.389  1645.35   27.759 -19.47009 38.99698 
1 1 1   -8    2   32 o  220.329   4.7486  131.219   5.6512  126.273   7.9626  136.239   8.0218  216.144   6.8174  224.514   6.6121 -8.370346 9.497210 
1 1 1   -8    2   33 o  500.359   6.6223  676.944   17.905  675.830   25.309  678.060   25.334  499.946   9.3685  500.771   9.3622 -0.8245239 13.24456 
1 1 1   -8    2   34 o  1185.36   14.240  3809.18   91.194  3771.36  127.599  3848.67  130.382  1179.37   20.022  1191.35   20.253 -11.97766 28.47921 
1 1 1   -8    2   35 o  497.452   6.6439  669.129   17.859  671.133   25.351  667.155   25.162  498.191   9.4171  496.714   9.3747 1.476746 13.28789 
1 1 1   -8    2   36 o  577.626   7.4828  902.544   23.356  903.886   33.111  901.214   32.949  578.052   10.600  577.200   10.564 0.8526611 14.96557 
1 1 1   -8    2   37 o  952.330   11.599  2458.37   59.689  2461.51   84.514  2455.24   84.312  952.935   16.413  951.724   16.394 1.211243 23.19795 
1 1 1   -8    2   38 o  342.713   5.6410  317.266   10.440  326.249   15.091  309.020   14.459  347.359   8.0399  338.067   7.9149 9.292419 11.28209 
1 1 1   -8    2   39 o  838.479   10.346  1904.13   46.860  1876.11   65.291  1933.89   67.296  832.139   14.520  844.819   14.741 -12.67950 20.69151 
1 1 1   -8    2   40 o  740.557   9.2886  1485.23   37.170  1480.75   52.440  1489.75   52.694  739.437   13.124  741.677   13.148 -2.239807 18.57722 
1 1 1   -8    2   41 o  755.620   9.4538  1546.99   38.600  1552.86   54.847  1541.22   54.333  757.035   13.408  754.205   13.332 2.829956 18.90753 
1 1 1   -8    2   42 o  507.861   6.9610  697.269   19.086  716.459   27.713  679.956   26.323  514.489   9.9682  501.233   9.7188 13.25565 13.92191 
1 1 1   -8    2   43 o  321.111   5.7312  279.006   9.9431  275.971   14.135  281.978   13.990  319.378   8.1903  322.844   8.0190 -3.466370 11.46239 
1 1 1   -8    2   44 o  386.656   5.9830  404.521   12.498  394.285   17.484  415.217   17.872  381.655   8.4776  391.657   8.4447 -10.00247 11.96591 
1 1 1   -8    2   45 o  569.062   7.5099  877.169   23.083  895.502   33.257  860.128   32.063  574.781   10.708  563.344   10.533 11.43726 15.01979 
1 1 1   -8    2   46 o  605.518   7.8787  994.480   25.775  982.535   36.044  1006.98   36.872  601.811   11.084  609.226   11.200 -7.414368 15.75748 
1 1 1   -8    2   47 o  320.908   5.5964  278.908   9.7038  283.703   13.813  274.234   13.636  323.633   7.8983  318.183   7.9308 5.450226 11.19284 
1 1 1   -8    2   48 o  474.878   6.6072  611.618   16.951  618.258   24.263  605.287   23.692  477.383   9.4057  472.374   9.2818 5.009064 13.21435 
1 1 1   -8    2   49 o   66.731   15.486   11.654   6.6772   6.9032   9.6950   15.941   9.2097   58.508   22.223   74.954   21.574 -16.44606 30.97259 
1 1 1   -8    2   50 o  431.936   12.904  509.459   30.119  509.459   30.119   0.0000   0.0000  431.936   12.904  ?   ?       ?      ? 
1 1 1   -8    2   51 o  491.272   13.994  661.036   37.150  661.036   37.150   0.0000   0.0000  491.272   13.994  ?   ?       ?      ? 
1 1 1   -8    2   52 o  344.649   8.0994  324.400   15.067  327.477   21.875  321.622   20.783  346.122   11.696  343.176   11.207 2.945801 16.19889 
1 1 1   -8    2   53 o  109.862   8.7734   33.201   5.1879   31.536   7.5555   34.686   7.1362  107.162   13.048  112.562   11.732 -5.398949 17.54682 
1 1 1   -8    2   54 o  145.316   7.1645   58.051   5.5885   52.506   8.1010   63.087   7.7195  138.541   10.821  152.091   9.3928 -13.55028 14.32903 
1 1 1   -8    2   55 f   78.489   11.876   17.477   5.0107   23.275   7.3453   12.430   6.8527   91.520   14.853   65.459   18.534 26.06050 23.75135 
1 1 1   -8    2   56 o  147.485   8.6566   54.109   6.5487   39.175   7.9639   85.293   11.508  119.122   12.372  175.848   12.111 -56.72571 17.31314 
1 1 1   -8    2   57 o  122.553   10.147   41.471   6.2918   43.266   11.120   40.625   7.6306  123.806   16.622  121.299   11.642 2.506920 20.29338 
1 1 1   -8    2   58 o  135.186   10.093   50.679   6.6409   52.568   12.533   49.942   7.8306  135.857   17.072  134.516   10.773 1.340759 20.18686 
1 1 1   -8    2   59 o  136.394   9.6708   52.311   6.5936   52.005   11.762   52.451   7.9624  135.103   16.111  137.685   10.702 -2.581406 19.34157 
1 1 1   -8    2   60 f   55.553   14.789   7.5902   5.9023   8.3038   7.3024   6.2455   10.024   55.421   19.566   55.684   22.180 -0.2628822 29.57722 
1 1 1   -8    2   61 o   48.015   13.981   3.2780   5.9093   5.4059   7.6971   0.2233   9.2221   50.202   19.607   45.828   19.937 4.374462 27.96286 
1 1 1   -8    2   62 o  126.772   8.3677   45.088   5.7257   48.157   8.2407   42.224   7.9613  131.016   11.640  122.528   12.024 8.488251 16.73531 
1 1 1   -8    2   63 o   49.015   13.643   5.0372   5.3096   6.4144   7.7635   3.8269   7.2780   51.666   19.823   46.365   18.749 5.300598 27.28535 
1 1 1   -8    2   64 o   38.551   12.084  -3.2017   5.2189   3.3578   7.7886  -8.5468   7.0308   46.288   19.134   30.814   14.763 15.47416 24.16742 
1 1 1   -8    2   65 o   66.419   14.425   14.072   5.6803   13.502   8.0998   14.624   7.9682   65.181   20.569   67.657   20.230 -2.475929 28.85068 
1 1 1   -8    2   66 o  103.879   10.769   32.175   6.0421   32.644   8.6980   31.739   8.3994  104.497   15.404  103.262   15.053 1.234932 21.53765 
1 1 1   -8    2   67 o  162.161   7.8939   74.783   6.8977   68.895   9.7824   80.604   9.7274  155.457   11.645  168.865   10.660 -13.40874 15.78778 
1 1 1   -8    2   68 o   75.544   14.452   20.401   6.3233   13.897   9.0957   26.485   8.7969   62.329   21.851   88.760   18.919 -26.43151 28.90352 
1 1 1   -8    2   69 o  101.340   12.243   33.563   6.2971   43.933   8.8382   22.871   8.9744  121.329   13.481   81.351   20.441 39.97807 24.48558 
1 1 1   -8    2   70 o  231.166   6.5763  152.962   8.1911  169.852   11.994  138.201   11.213  243.337   9.1219  218.995   9.4755 24.34256 13.15268 
1 1 1   -8    3    1 o  584.497   10.308  923.407   32.558   0.0000   0.0000  923.407   32.558  ?   ?   584.497   10.308      ?      ? 
1 1 1   -8    3    2 o  980.989   11.779  2601.90   62.423  2567.45   87.107  2638.26   89.501  974.324   16.545  987.654   16.770 -13.33014 23.55772 
1 1 1   -8    3    3 o  552.679   6.9401  825.561   20.726  822.055   29.229  829.106   29.395  551.499   9.8080  553.859   9.8217 -2.359924 13.88030 
1 1 1   -8    3    4 o  1273.17   15.164  4385.65  104.303  4330.88  145.663  4443.28  149.423  1265.02   21.309  1281.31   21.581 -16.28381 30.32858 
1 1 1   -8    3    5 o  816.209   9.8983  1800.71   43.647  1777.36   60.952  1825.28   62.530  810.784   13.912  821.634   14.084 -10.84961 19.79659 
1 1 1   -8    3    6 o  713.152   8.7242  1374.05   33.604  1348.98   46.666  1401.04   48.430  706.405   12.225  719.899   12.450 -13.49365 17.44835 
1 1 1   -8    3    7 o  1233.47   14.699  4117.18   97.966  4091.21  137.635  4143.84  139.473  1229.54   20.716  1237.41   20.859 -7.869385 29.39780 
1 1 1   -8    3    8 o  512.438   6.5178  709.677   18.047  704.684   25.392  714.774   25.656  510.617   9.2026  514.259   9.2324 -3.641937 13.03553 
1 1 1   -8    3    9 o  572.281   7.1682  885.169   22.166  878.263   31.134  892.267   31.564  570.018   10.108  574.543   10.167 -4.525085 14.33643 
1 1 1   -8    3   10 o  634.078   7.8543  1086.82   26.910  1079.03   37.822  1094.81   38.295  631.777   11.079  636.380   11.136 -4.603027 15.70854 
1 1 1   -8    3   11 o  1364.42   16.244  5041.62  119.736  4980.02  167.174  5106.50  171.577  1355.89   22.817  1372.95   23.127 -17.06165 32.48782 
1 1 1   -8    3   12 o  363.983   5.0088  357.556   9.8419  368.647   14.306  347.591   13.561  369.333   7.1682  358.634   6.9977 10.69998 10.01750 
1 1 1   -8    3   13 o  855.640   10.361  1980.27   47.903  1971.30   67.465  1989.38   68.029  853.690   14.625  857.590   14.680 -3.900330 20.72168 
1 1 1   -8    3   14 o  1202.33   14.367  3915.70   93.342  3916.25  132.057  3915.16  131.953  1202.42   20.324  1202.25   20.311 0.1644287 28.73374 
1 1 1   -8    3   15 o  238.965   4.0043  154.301   5.1701  151.327   7.2627  157.357   7.3616  236.631   5.6799  241.300   5.6458 -4.668655 8.008505 
1 1 1   -8    3   16 o  1309.93   15.657  4658.21  110.807  4608.02  154.937  4710.77  158.535  1302.74   22.009  1317.11   22.275 -14.36633 31.31428 
1 1 1   -8    3   17 o  849.922   10.319  1956.10   47.388  1966.10   67.386  1946.31   66.654  852.065   14.636  847.778   14.550 4.287537 20.63724 
1 1 1   -8    3   18 o  241.528   4.0960  157.670   5.3458  156.219   7.5448  159.133   7.5754  240.411   5.8077  242.644   5.7776 -2.232925 8.192073 
1 1 1   -8    3   19 o  574.456   7.2505  892.714   22.507  892.541   31.840  892.887   31.818  574.400   10.258  574.512   10.249 -0.1118164 14.50091 
1 1 1   -8    3   20 o   98.455   8.9570   26.216   4.7653   26.216   4.7653   0.0000   0.0000   98.455   8.9570  ?   ?       ?      ? 
1 1 1   -8    3   22 o  666.987   16.696  1206.76   60.175  1206.76   60.175   0.0000   0.0000  666.987   16.696  ?   ?       ?      ? 
1 1 1   -8    3   23 o  509.913   8.1088  704.178   21.032  702.928   36.518  704.799   25.728  509.408   13.267  510.418   9.3280 -1.010254 16.21767 
1 1 1   -8    3   24 o  414.431   5.6465  464.417   12.645  460.160   17.796  468.758   17.969  412.513   7.9837  416.349   7.9871 -3.835663 11.29301 
1 1 1   -8    3   25 o  145.234   4.4275   57.085   3.4702   58.741   4.8325   55.323   4.9864  147.413   6.0666  143.056   6.4504 4.357254 8.855077 
1 1 1   -8    3   26 o  626.965   7.8714  1063.59   26.667  1057.63   37.541  1069.66   37.886  625.193   11.112  628.737   11.151 -3.543945 15.74274 
1 1 1   -8    3   27 o  988.429   11.948  2647.63   63.817  2657.03   90.602  2638.38   89.903  990.164   16.933  986.695   16.862 3.468201 23.89679 
1 1 1   -8    3   28 o  325.133   4.9808  285.663   8.7480  289.296   12.563  282.243   12.189  327.138   7.1067  323.129   6.9806 4.009552 9.961619 
1 1 1   -8    3   29 o  961.252   11.639  2502.69   60.455  2493.14   85.172  2512.39   85.825  959.408   16.429  963.096   16.491 -3.687744 23.27808 
1 1 1   -8    3   30 o  674.063   8.4234  1228.77   30.676  1242.66   43.879  1215.48   42.902  677.786   11.981  670.341   11.844 7.445068 16.84677 
1 1 1   -8    3   31 o  720.899   8.9403  1405.80   34.825  1398.16   48.989  1413.60   49.517  718.922   12.610  722.876   12.677 -3.953430 17.88059 
1 1 1   -8    3   32 o  655.296   8.2275  1161.52   29.133  1159.56   41.138  1163.50   41.264  654.740   11.627  655.851   11.643 -1.111206 16.45503 
1 1 1   -8    3   33 o  1313.70   15.736  4683.01  111.705  4695.37  158.463  4670.81  157.491  1315.41   22.294  1311.99   22.215 3.424316 31.47201 
1 1 1   -8    3   34 o  219.221   4.9187  129.841   5.8239  135.594   8.3263  124.329   8.1492  223.975   6.8796  214.468   7.0318 9.507690 9.837386 
1 1 1   -8    3   35 o  791.186   9.7541  1694.37   41.702  1696.39   59.079  1692.36   58.871  791.655   13.811  790.717   13.778 0.9377441 19.50828 
1 1 1   -8    3   36 f  250.210   5.2373  169.177   7.0794  172.576   10.152  165.959   9.8775  252.655   7.4357  247.765   7.3776 4.889557 10.47468 
1 1 1   -8    3   37 o  687.648   8.6672  1279.84   32.203  1286.26   45.866  1273.61   45.225  689.341   12.313  685.955   12.201 3.385925 17.33444 
1 1 1   -8    3   38 o  318.197   5.5538  273.772   9.5490  271.479   13.525  276.050   13.484  316.867   7.8987  319.526   7.8096 -2.659119 11.10764 
1 1 1   -8    3   39 o  177.933   6.7759   86.086   6.4809   77.949   9.3200   93.705   9.0182  169.736   10.161  186.130   8.9663 -16.39397 13.55177 
1 1 1   -8    3   40 o  725.845   9.1307  1426.69   35.812  1432.26   50.843  1421.22   50.451  727.247   12.938  724.444   12.888 2.802856 18.26147 
1 1 1   -8    3   41 o  493.129   6.8443  657.536   18.228  673.372   26.310  642.919   25.278  498.828   9.7609  487.431   9.5971 11.39740 13.68868 
1 1 1   -8    3   42 o  1020.75   12.428  2830.49   68.542  2853.34   97.782  2808.42   96.104  1024.77   17.658  1016.73   17.492 8.046570 24.85546 
1 1 1   -8    3   43 o  539.986   7.2602  783.855   21.078  735.149   28.143  846.081   31.811  521.054   9.9954  558.919   10.533 -37.86456 14.52044 
1 1 1   -8    3   44 o  632.609   8.1464  1084.96   27.846  1091.47   39.662  1078.63   39.104  634.473   11.568  630.746   11.473 3.727051 16.29282 
1 1 1   -8    3   45 o  276.765   5.6218  207.100   8.4024  214.109   12.148  200.671   11.634  281.247   7.9936  272.284   7.9071 8.963348 11.24368 
1 1 1   -8    3   46 o  394.444   6.0170  421.341   12.824  415.062   17.982  427.837   18.292  391.456   8.5010  397.432   8.5176 -5.976776 12.03395 
1 1 1   -8    3   47 o  188.985   6.1696   96.755   6.2971  101.314   9.0063   92.394   8.8080  193.346   8.6203  184.624   8.8288 8.721436 12.33923 
1 1 1   -8    3   48 o  267.413   5.6880  193.655   8.2154  201.810   11.790  185.957   11.454  272.887   7.9953  261.940   8.0924 10.94724 11.37591 
1 1 1   -8    3   49 o  400.807   8.4599  437.312   18.312  427.928   25.367  447.522   26.460  396.354   11.844  405.260   12.083 -8.905731 16.91990 
1 1 1   -8    3   50 o  411.502   12.290  461.937   27.329  461.937   27.329   0.0000   0.0000  411.502   12.290  ?   ?       ?      ? 
1 1 1   -8    3   51 o   86.785   15.953   21.827   7.5974   25.315   10.843   18.462   10.649   93.404   21.868   80.165   23.234 13.23874 31.90661 
1 1 1   -8    3   52 o  355.086   8.2864  344.858   15.896  338.513   22.550  351.126   22.412  351.786   11.863  358.386   11.573 -6.599701 16.57271 
1 1 1   -8    3   53 o  128.093   7.7663   44.822   5.3682   45.431   7.8218   44.279   7.3809  128.882   11.231  127.305   10.729 1.577011 15.53266 
1 1 1   -8    3   54 o  110.680   9.0081   34.218   5.2939   28.000   7.6708   39.873   7.3154  100.709   14.096  120.652   11.221 -19.94318 18.01628 
1 1 1   -8    3   55 o  153.710   9.0508   70.849   6.8553   86.494   8.8042   46.757   10.925  177.939   9.1565  129.481   15.615 48.45796 18.10151 
1 1 1   -8    3   56 f   37.379   12.347  -7.2551   5.5606  -3.6374   10.074  -8.8404   6.6686   44.639   20.049   30.119   14.416 14.51927 24.69402 
1 1 1   -8    3   57 o  195.878   7.7364  106.151   7.5139  104.640   13.601  106.815   9.0143  194.094   12.968  197.662   8.4396 -3.568283 15.47277 
1 1 1   -8    3   58 o  197.950   6.1501  107.179   6.5652  110.236   9.6470  104.542   8.9601  200.508   8.9037  195.393   8.4863 5.115860 12.30015 
1 1 1   -8    3   59 o   67.536   13.321   15.020   6.0529  -1.8696   11.111   22.148   7.2180   48.037   21.350   87.034   15.935 -38.99655 26.64102 
1 1 1   -8    3   60 f   96.562   12.835   27.501   6.2005   27.455   10.612   27.525   7.6404   94.474   21.297   98.651   14.333 -4.176727 25.67053 
1 1 1   -8    3   61 o   89.330   13.156   24.026   6.0178   23.525   7.6877   24.820   9.6703   89.026   16.591   89.635   20.421 -0.6088257 26.31118 
1 1 1   -8    3   62 o   34.889   11.405  -5.4718   5.1730  -9.5622   7.4558  -1.6749   7.1833   31.466   15.109   38.311   17.088 -6.844694 22.80956 
1 1 1   -8    3   63 o  131.665   8.2846   48.831   5.8799   45.286   8.3460   52.325   8.2852  126.699   12.190  136.630   11.222 -9.931877 16.56919 
1 1 1   -8    3   64 o  103.851   10.429   31.504   5.8071   28.109   8.3681   34.658   8.0653   97.875   15.822  109.828   13.590 -11.95237 20.85732 
1 1 1   -8    3   65 o   89.704   12.226   24.674   5.7049   26.471   8.3302   23.087   7.8290   92.880   17.232   86.529   17.348 6.350983 24.45202 
1 1 1   -8    3   66 o  175.257   7.2690   86.917   6.8788   84.438   9.8128   89.313   9.6456  172.613   10.520  177.901   10.034 -5.288345 14.53803 
1 1 1   -8    3   67 o  122.548   13.730   43.701   9.0924   43.701   9.0924   0.0000   0.0000  122.548   13.730  ?   ?       ?      ? 
1 1 1   -8    3   68 o   50.750   13.269   4.8356   6.0945  -8.6277   9.0058   16.210   8.2779   34.457   16.561   67.042   20.738 -32.58497 26.53900 
1 1 1   -8    3   69 f   50.563   13.903   5.7134   6.0517  -2.0182   8.6403   13.158   8.4787   39.550   18.080   61.577   21.125 -22.02761 27.80501 
1 1 1   -8    3   70 o   41.269   13.123   0.7812   6.1060   1.1088   8.9980   0.5016   8.3131   42.156   18.940   40.381   18.168 1.775219 26.24523 
1 1 1   -8    4    1 o  829.769   10.066  1861.65   45.134  1859.30   63.773  1864.00   63.885  829.245   14.232  830.293   14.239 -1.048218 20.13202 
1 1 1   -8    4    2 o  936.138   11.276  2369.91   57.039  2358.87   80.314  2381.14   81.022  933.940   15.914  938.335   15.979 -4.394348 22.55211 
1 1 1   -8    4    3 o  1170.37   13.981  3705.26   88.397  3751.44  126.634  3661.37  123.451  1177.47   19.903  1163.27   19.639 14.19873 27.96103 
1 1 1   -8    4    4 o  679.363   8.3604  1247.44   30.687  1259.38   43.846  1235.97   42.963  682.547   11.888  676.180   11.758 6.367615 16.72081 
1 1 1   -8    4    5 o  2158.48   25.574 12650.99  298.280 12603.51  420.171 12699.22  423.512  2154.42   36.092  2162.54   36.242 -8.119629 51.14782 
1 1 1   -8    4    6 o  576.575   7.2247  898.524   22.509  893.463   31.691  903.676   31.976  574.937   10.201  578.213   10.234 -3.275879 14.44947 
1 1 1   -8    4    7 o  710.646   8.7207  1365.25   33.487  1355.78   47.099  1374.93   47.621  708.155   12.308  713.137   12.358 -4.982117 17.44148 
1 1 1   -8    4    8 o  351.514   4.8862  333.916   9.2811  333.329   13.136  334.501   13.115  351.206   6.9216  351.823   6.8986 -0.6169739 9.772354 
1 1 1   -8    4    9 o  814.869   9.8987  1795.71   43.586  1791.84   61.543  1799.61   61.738  813.988   13.992  815.750   14.006 -1.761780 19.79730 
1 1 1   -8    4   10 o  559.066   7.0423  844.753   21.272  836.131   29.810  853.698   30.365  556.161   9.9191  561.971   9.9994 -5.809875 14.08467 
1 1 1   -8    4   11 o  990.348   11.913  2653.53   63.747  2633.75   89.469  2673.93   90.851  986.605   16.782  994.091   16.913 -7.485657 23.82591 
1 1 1   -8    4   12 o  1192.34   14.251  3849.18   91.814  3824.72  129.007  3874.29  130.699  1188.51   20.087  1196.17   20.220 -7.660156 28.50209 
1 1 1   -8    4   13 o  557.473   7.0381  840.170   21.201  840.836   30.041  839.508   29.926  557.693   9.9685  557.253   9.9381 0.4393921 14.07612 
1 1 1   -8    4   14 o  409.475   5.5091  452.496   12.177  437.623   16.762  469.119   17.721  402.363   7.7092  416.587   7.8721 -14.22342 11.01822 
1 1 1   -8    4   15 o  151.563   3.7561   62.095   3.0755   60.807   4.3599   63.370   4.3390  149.999   5.3790  153.128   5.2439 -3.129547 7.512101 
1 1 1   -8    4   16 o  499.755   6.4452  675.000   17.398  662.055   24.191  688.869   25.041  494.798   9.0477  504.712   9.1816 -9.913788 12.89045 
1 1 1   -8    4   17 f  291.343   4.4508  229.441   7.0066  228.740   9.9502  230.131   9.8680  290.901   6.3299  291.786   6.2586 -0.8848267 8.901573 
1 1 1   -8    4   18 o  174.114   3.9382   81.702   3.6999   86.952   5.4048   77.072   5.0756  179.362   5.5765  168.865   5.5623 10.49712 7.876370 
1 1 1   -8    4   19 o  275.620   5.3147  207.637   7.5659  197.568   12.566  213.362   9.4758  270.291   8.6038  280.948   6.2417 -10.65683 10.62938 
1 1 1   -8    4   22 o   79.746   8.6379   17.086   3.7046   18.597   5.5819   15.896   4.9525   82.869   12.465   76.624   11.961 6.245659 17.27579 
1 1 1   -8    4   23 o  578.055   7.3253  904.127   22.881  898.181   32.221  910.175   32.497  576.139   10.350  579.971   10.369 -3.832336 14.65059 
1 1 1   -8    4   24 o  1028.84   12.417  2870.55   69.014  2831.36   96.258  2912.01   99.002  1021.64   17.436  1036.03   17.684 -14.38916 24.83433 
1 1 1   -8    4   25 o  388.557   5.4341  408.210   11.409  409.270   16.225  407.172   16.047  389.055   7.7175  388.059   7.6524 0.9959106 10.86825 
1 1 1   -8    4   26 o  381.524   5.3817  393.462   11.094  388.439   15.554  398.663   15.828  379.046   7.5937  384.001   7.6281 -4.954590 10.76341 
1 1 1   -8    4   27 o  263.972   4.5464  188.355   6.4841  184.416   9.1556  192.320   9.1844  261.201   6.4867  266.742   6.3719 -5.540710 9.092777 
1 1 1   -8    4   28 f  587.988   7.4764  934.980   23.752  925.385   33.294  944.924   33.895  584.919   10.534  591.057   10.613 -6.138245 14.95287 
1 1 1   -8    4   29 o  515.585   6.7434  718.354   18.780  703.737   26.114  734.010   27.028  510.160   9.4727  521.011   9.6001 -10.85178 13.48679 
1 1 1   -8    4   30 o  1469.26   17.544  5860.35  139.279  5896.14  198.272  5825.48  195.692  1473.66   24.899  1464.86   24.722 8.805908 35.08755 
1 1 1   -8    4   31 o  319.846   5.0570  276.480   8.7394  274.209   12.255  278.830   12.467  318.511   7.1202  321.182   7.1831 -2.671082 10.11410 
1 1 1   -8    4   32 o  222.146   4.6923  133.402   5.6316  132.145   8.0171  134.626   7.9126  221.112   6.7100  223.180   6.5611 -2.068039 9.384615 
1 1 1   -8    4   33 o  223.183   4.8463  134.421   5.8395  129.561   8.0535  139.808   8.4795  218.937   6.8073  227.429   6.8998 -8.492157 9.692586 
1 1 1   -8    4   34 o  170.673   5.3361   78.740   4.9158   78.790   7.1233   78.695   6.7925  170.722   7.7216  170.623   7.3672 0.9843445E-01 10.67228 
1 1 1   -8    4   35 o  1052.08   12.726  2999.08   72.325  2954.78  100.720  3046.25  103.922  1044.09   17.852  1060.07   18.142 -15.98181 25.45247 
1 1 1   -8    4   36 o  535.857   7.0860  776.725   20.518  775.161   29.031  778.287   29.003  535.317   10.036  536.397   10.006 -1.080139 14.17202 
1 1 1   -8    4   37 o  609.099   7.8612  1003.85   25.874  1006.44   36.724  1001.31   36.460  609.875   11.143  608.322   11.091 1.552979 15.72250 
1 1 1   -8    4   38 o  647.147   8.2985  1129.94   28.947  1180.84   42.800  1087.03   39.297  660.512   11.991  633.781   11.475 26.73083 16.59703 
1 1 1   -8    4   39 o  251.223   8.4246  170.688   11.437   0.0000   0.0000  170.688   11.437  ?   ?   251.223   8.4246      ?      ? 
1 1 1   -8    4   40 o  672.168   8.5637  1223.11   31.102  1211.42   43.661  1235.16   44.317  668.909   12.079  675.427   12.142 -6.517151 17.12734 
1 1 1   -8    4   41 o  321.971   5.7942  279.905   10.070  291.723   14.658  269.340   13.859  328.393   8.2600  315.549   8.1280 12.84406 11.58842 
1 1 1   -8    4   42 o  930.264   11.400  2349.35   57.307  2353.13   81.245  2345.61   80.846  931.000   16.150  929.527   16.096 1.473267 22.80079 
1 1 1   -8    4   43 o  107.730   9.5569   31.494   5.5546   33.892   7.9284   29.181   7.7843  111.772   13.127  103.688   13.893 8.083763 19.11378 
1 1 1   -8    4   44 o  684.994   8.7153  1271.98   32.240  1299.03   46.571  1247.08   44.677  691.953   12.455  678.035   12.194 13.91785 17.43062 
1 1 1   -8    4   45 o  119.864   8.4969   38.926   5.4662   45.407   7.9275   33.052   7.5473  129.389   11.338  110.339   12.658 19.05003 16.99386 
1 1 1   -8    4   46 o  330.980   5.6871  296.416   10.164  303.301   14.718  290.140   14.052  334.641   8.1394  327.318   7.9449 7.322662 11.37419 
1 1 1   -8    4   47 o  164.154   6.7364   72.882   5.9663   76.995   8.7355   69.286   8.1682  168.478   9.5952  159.830   9.4576 8.648178 13.47270 
1 1 1   -8    4   48 o  358.110   8.1074  348.355   15.680  361.712   22.637  336.036   21.739  364.697   11.487  351.523   11.445 13.17368 16.21484 
1 1 1   -8    4   49 o  352.922   8.0266  339.173   15.305  338.288   21.459  340.090   21.836  352.474   11.267  353.370   11.435 -0.8960876 16.05318 
1 1 1   -8    4   50 o  389.919   8.8162  412.840   18.576  412.840   18.576   0.0000   0.0000  389.919   8.8162  ?   ?       ?      ? 
1 1 1   -8    4   51 o  121.843   12.486   41.930   7.8089   53.626   11.245   31.036   10.853  139.708   14.895  103.978   20.042 35.73092 24.97107 
1 1 1   -8    4   52 o  336.036   8.2549  308.706   14.971  312.387   21.773  305.405   20.618  337.845   11.926  334.228   11.416 3.617554 16.50973 
1 1 1   -8    4   53 o  367.319   5.9018  367.017   11.711  369.336   16.781  364.815   16.351  368.425   8.4292  366.213   8.2627 2.211853 11.80353 
1 1 1   -8    4   54 o  193.480   7.8236  102.684   7.7174  102.948   9.4724  102.162   13.310  194.298   9.0220  192.663   12.784 1.635284 15.64723 
1 1 1   -8    4   55 o  224.687   5.9412  137.922   7.1834  122.598   10.091  153.668   10.229  211.906   8.8121  237.468   7.9711 -25.56198 11.88246 
1 1 1   -8    4   56 o   65.658   15.197   11.694   5.7448   13.189   10.985   11.131   6.7398   69.207   24.028   62.109   18.613 7.097694 30.39402 
1 1 1   -8    4   57 o  159.973   7.0954   71.162   6.0591   62.437   8.8968   78.709   8.2747  150.461   10.943  169.484   9.0352 -19.02260 14.19071 
1 1 1   -8    4   58 o  184.579   6.3576   93.215   6.3052   95.778   9.4867   91.188   8.4388  186.715   9.4026  182.444   8.5598 4.270798 12.71529 
1 1 1   -8    4   59 o  144.183   7.3624   57.971   5.6840   52.582   8.3501   62.625   7.7593  137.614   11.229  150.753   9.5251 -13.13878 14.72471 
1 1 1   -8    4   60 o  141.716   9.4340   58.635   6.5377   51.036   11.650   62.128   7.8987  133.441   16.156  149.990   9.7455 -16.54889 18.86796 
1 1 1   -8    4   61 o  134.374   8.2831   51.507   5.8883   42.142   8.6368   59.640   8.0488  122.159   13.084  146.588   10.161 -24.42890 16.56625 
1 1 1   -8    4   62 o  131.831   9.7831   49.161   6.7980   47.632   8.6571   51.622   10.979  129.902   12.333  133.760   15.190 -3.858963 19.56612 
1 1 1   -8    4   63 o  209.930   6.2802  121.293   7.1052  130.355   10.526  113.709   9.6299  217.046   8.9750  202.814   8.7870 14.23204 12.56033 
1 1 1   -8    4   64 o   87.695   12.486   23.541   5.7083   27.032   8.3263   20.444   7.8412   94.349   16.955   81.040   18.334 13.30872 24.97212 
1 1 1   -8    4   65 o  152.100   8.0619   65.974   6.5806   63.443   9.7690   68.076   8.9037  148.918   12.140  155.281   10.611 -6.363022 16.12373 
1 1 1   -8    4   66 o   61.237   13.017   10.332   5.9046  -2.5752   8.6222   21.731   8.1027   39.986   18.194   82.488   18.620 -42.50148 26.03314 
1 1 1   -8    4   67 o  123.591   9.6353   44.396   6.4268   46.445   9.3820   42.584   8.8216  126.185   13.759  120.997   13.492 5.187782 19.27069 
1 1 1   -8    4   68 o   68.448   14.979   17.269   6.0855   17.156   9.3005   17.354   8.0472   67.403   22.111   69.492   20.214 -2.089363 29.95845 
1 1 1   -8    4   69 o   57.236   14.756   10.657   6.0333   14.529   8.8360   7.2751   8.2581   63.820   21.567   50.652   20.146 13.16820 29.51271 
1 1 1   -8    5    1 o  657.386   8.1334  1168.20   28.891  1172.80   41.043  1163.68   40.677  658.667   11.532  656.104   11.473 2.562622 16.26686 
1 1 1   -8    5    4 o  378.583   5.1825  387.303   10.602  384.123   14.918  390.548   15.069  377.013   7.3227  380.153   7.3356 -3.140198 10.36495 
1 1 1   -8    5    5 o  1279.97   15.263  4435.56  105.567  4440.18  149.487  4430.96  149.104  1280.63   21.602  1279.31   21.569 1.325439 30.52623 
1 1 1   -8    5    6 o  1217.69   14.542  4013.98   95.684  4004.62  135.071  4023.41  135.565  1216.27   20.552  1219.11   20.579 -2.847656 29.08344 
1 1 1   -8    5    7 o  1080.44   12.958  3157.36   75.618  3213.20  108.939  3105.43  105.049  1089.64   18.502  1071.24   18.147 18.39624 25.91609 
1 1 1   -8    5    8 o  1087.86   13.041  3201.41   76.632  3150.75  106.623  3255.53  110.213  1078.98   18.287  1096.74   18.597 -17.76245 26.08200 
1 1 1   -8    5    9 o  244.350   4.0639  161.188   5.3632  154.995   7.4572  167.823   7.7190  239.493   5.7623  249.207   5.7321 -9.713760 8.127775 
1 1 1   -8    5   10 o  1137.07   13.611  3498.43   83.601  3555.36  120.251  3445.17  116.307  1146.00   19.418  1128.14   19.079 17.86072 27.22272 
1 1 1   -8    5   11 o  713.472   8.7737  1376.51   33.825  1380.41   47.986  1372.66   47.688  714.475   12.429  712.470   12.387 2.005798 17.54735 
1 1 1   -8    5   12 o  607.503   7.5990  997.894   24.945  997.995   35.317  997.793   35.239  607.533   10.758  607.472   10.735 0.6066895E-01 15.19799 
1 1 1   -8    5   13 o  776.719   9.4910  1632.16   39.830  1614.57   55.772  1650.48   56.900  772.453   13.362  780.985   13.483 -8.531860 18.98209 
1 1 1   -8    5   14 o  998.612   12.037  2701.87   64.948  2677.57   91.020  2727.07   92.704  994.053   16.945  1003.17   17.102 -9.117920 24.07477 
1 1 1   -8    5   15 o  493.882   6.3977  659.335   17.069  648.138   23.810  671.174   24.484  489.572   9.0004  498.191   9.0948 -8.619690 12.79537 
1 1 1   -8    5   16 o  1144.17   13.734  3551.34   84.903  3518.88  118.955  3585.04  121.220  1138.86   19.330  1149.47   19.516 -10.61108 27.46820 
1 1 1   -8    5   17 o  239.773   4.2387  155.375   5.4887  156.030   7.9050  154.764   7.6270  240.260   6.0888  239.287   5.8986 0.9736786 8.477414 
1 1 1   -8    5   18 o  1199.84   17.603  3940.24  108.544  3849.10  183.401  3989.37  134.660  1187.68   28.577  1212.01   20.561 -24.33411 35.20509 
1 1 1   -8    5   21 o  781.028   13.631  1644.93   57.198  1550.45   76.138  1767.34   86.661  755.608   18.647  806.449   19.887 -50.84088 27.26172 
1 1 1   -8    5   22 o  144.193   4.3670   56.226   3.3985   55.805   4.9193   56.610   4.7007  143.675   6.3363  144.712   6.0113 -1.036407 8.734070 
1 1 1   -8    5   23 o  436.099   5.8747  514.170   13.842  505.656   19.373  523.049   19.784  432.413   8.2912  439.785   8.3249 -7.371948 11.74943 
1 1 1   -8    5   24 f  295.226   4.6770  235.440   7.4578  226.146   10.397  245.290   10.703  289.228   6.6526  301.223   6.5756 -11.99545 9.353971 
1 1 1   -8    5   25 o  918.100   11.146  2284.01   55.297  2272.06   77.859  2296.17   78.549  915.682   15.735  920.518   15.791 -4.835327 22.29290 
1 1 1   -8    5   26 o  474.132   6.2903  607.873   16.116  603.858   22.741  611.923   22.842  472.559   8.9056  475.705   8.8860 -3.146057 12.58056 
1 1 1   -8    5   27 o  209.123   6.2936  118.205   7.1119  118.205   7.1119   0.0000   0.0000  209.123   6.2936  ?   ?       ?      ? 
1 1 1   -8    5   28 o  204.041   4.5878  112.612   5.0515  110.754   7.3026  114.316   6.9951  202.424   6.6762  205.658   6.2945 -3.234375 9.175607 
1 1 1   -8    5   29 o  841.415   10.285  1915.98   46.759  1929.39   66.655  1902.98   65.610  844.308   14.610  838.521   14.480 5.786438 20.56986 
1 1 1   -8    5   30 f  614.865   7.7896  1022.32   25.880  1014.16   36.366  1030.70   36.837  612.379   10.990  617.351   11.043 -4.971375 15.57916 
1 1 1   -8    5   31 o  604.657   7.6904  988.797   25.127  987.942   35.551  989.652   35.520  604.395   10.885  604.919   10.866 -0.5238647 15.38088 
1 1 1   -8    5   32 o  701.732   8.7505  1331.79   33.172  1350.44   47.578  1314.15   46.274  706.504   12.462  696.959   12.287 9.545044 17.50097 
1 1 1   -8    5   33 o  440.293   6.0834  524.110   14.473  525.648   20.519  522.586   20.418  440.936   8.6117  439.651   8.5946 1.285614 12.16674 
1 1 1   -8    5   34 f  435.127   6.1076  511.882   14.360  505.956   20.230  517.900   20.388  432.588   8.6541  437.665   8.6208 -5.077423 12.21522 
1 1 1   -8    5   35 o  806.072   9.9405  1759.26   43.298  1758.82   61.289  1759.70   61.177  805.969   14.073  806.175   14.043 -0.2058105 19.88104 
1 1 1   -8    5   36 o  415.220   6.0249  466.090   13.515  472.051   19.371  460.438   18.864  417.803   8.5803  412.637   8.4602 5.166351 12.04974 
1 1 1   -8    5   38 o  655.031   8.3843  1161.03   29.668  1176.19   42.580  1146.72   41.360  659.177   11.954  650.886   11.759 8.289978 16.76852 
1 1 1   -8    5   39 o  790.422   9.8358  1692.48   42.010  1688.71   59.407  1696.26   59.417  789.539   13.924  791.306   13.896 -1.767517 19.67165 
1 1 1   -8    5   40 o  180.891   6.8444   88.991   6.6480   78.151   9.4601   99.568   9.3443  169.934   10.302  191.848   9.0137 -21.91386 13.68871 
1 1 1   -8    5   41 o  488.726   6.7908  646.049   17.926  658.768   25.809  634.192   24.918  493.364   9.6808  484.087   9.5259 9.277252 13.58162 
1 1 1   -8    5   42 o  301.378   5.6911  245.515   9.2643  253.342   13.336  238.214   12.879  306.016   8.0646  296.740   8.0322 9.276245 11.38219 
1 1 1   -8    5   43 o  560.168   7.4458  850.029   22.536  838.694   31.582  861.787   32.167  556.368   10.505  563.968   10.555 -7.599915 14.89169 
1 1 1   -8    5   44 o  350.461   5.7699  332.469   10.926  328.033   15.442  336.916   15.462  348.116   8.2092  352.806   8.1104 -4.689697 11.53989 
1 1 1   -8    5   45 o  364.102   5.8693  358.030   11.532  339.544   15.830  378.937   16.835  354.116   8.2726  374.089   8.3283 -19.97269 11.73868 
1 1 1   -8    5   46 o  339.378   5.7789  311.960   10.597  305.517   14.895  318.562   15.078  335.827   8.2081  342.930   8.1368 -7.102814 11.55771 
1 1 1   -8    5   47 o  413.534   7.4598  462.365   15.770  470.496   27.230  458.261   19.344  415.929   12.115  411.138   8.7072 4.790436 14.91966 
1 1 1   -8    5   48 o  630.010   11.548  1087.20   39.302  1073.42   54.792  1101.80   56.406  625.972   16.198  634.049   16.463 -8.077026 23.09598 
1 1 1   -8    5   49 o  230.483   7.7903  144.631   9.7018  143.986   13.631  145.293   13.812  229.970   10.969  230.996   11.065 -1.025253 15.58058 
1 1 1   -8    5   50 f  285.276   8.2321  220.591   12.637  235.586   18.949  208.581   16.959  293.891   11.932  276.660   11.344 17.23096 16.46420 
1 1 1   -8    5   51 o  262.369   8.1816  188.211   11.568  185.023   16.913  191.014   15.858  260.164   12.030  264.573   11.092 -4.408783 16.36321 
1 1 1   -8    5   52 o  185.592   8.1483   94.864   7.3852   92.703   13.702   95.748   8.7675  183.592   13.812  187.592   8.6492 -3.999756 16.29668 
1 1 1   -8    5   53 o   66.145   14.697   10.266   6.0283   4.7640   7.5816   19.723   9.9402   50.296   19.511   81.993   21.985 -31.69620 29.39379 
1 1 1   -8    5   54 o  188.392   7.5729   94.214   7.4057   87.064   9.1270  107.995   12.671  178.539   9.4603  198.245   11.828 -19.70558 15.14587 
1 1 1   -8    5   55 o  197.732   7.9350  110.347   7.5948  100.788   14.024  114.314   9.0343  190.713   13.608  204.751   8.1654 -14.03824 15.87006 
1 1 1   -8    5   56 o  262.726   5.7318  188.761   8.1175  181.031   11.740  195.843   11.237  257.451   8.4387  268.000   7.7591 -10.54919 11.46363 
1 1 1   -8    5   57 o   65.482   13.405   12.809   5.1409   9.1735   7.7344   15.687   6.8810   58.166   20.163   72.798   17.670 -14.63188 26.81041 
1 1 1   -8    5   58 o   58.890   12.620   8.9870   5.2186  -0.7428   7.6837   17.318   7.1101   41.400   18.100   76.380   17.590 -34.97960 25.23910 
1 1 1   -8    5   59 o  163.740   6.9978   73.971   6.1836   74.901   9.0007   73.139   8.5097  164.635   10.117  162.845   9.6705 1.790512 13.99570 
1 1 1   -8    5   60 o  234.773   6.0264  151.508   7.6373  152.164   11.066  150.911   10.554  235.169   8.7078  234.376   8.3334 0.7924500 12.05282 
1 1 1   -8    5   61 o  101.314   12.241   28.298   6.1565   36.689   11.191   24.656   7.3724  109.780   19.583   92.849   14.694 16.93134 24.48268 
1 1 1   -8    5   62 o  180.800   7.7940   91.803   7.4667   93.062   9.7050   89.977   11.688  182.979   9.8154  178.622   12.110 4.356766 15.58799 
1 1 1   -8    5   63 o   64.357   14.593   12.013   5.9746   6.9781   8.0308   18.254   8.9410   52.925   20.196   75.789   21.070 -22.86401 29.18633 
1 1 1   -8    5   64 o  119.758   9.3834   40.878   6.0452   43.991   9.0866   38.406   8.0971  123.646   13.600  115.870   12.932 7.775719 18.76689 
1 1 1   -8    5   65 o   99.128   11.599   29.362   5.9487   38.879   9.0141   22.020   7.9176  114.860   14.523   83.397   18.090 31.46297 23.19853 
1 1 1   -8    5   66 o   53.870   14.128   6.2989   5.8174   14.646   9.0352   0.3880   7.6030   66.623   21.790   41.117   17.989 25.50633 28.25659 
1 1 1   -8    5   67 o  171.595   7.6383   83.697   7.0548   84.708   10.468   82.857   9.5490  172.175   11.251  171.015   10.333 1.160751 15.27652 
1 1 1   -8    5   68 o   97.660   12.770   31.605   6.4707   32.854   9.5917   30.562   8.7660   98.876   18.636   96.445   17.463 2.431320 25.53927 
1 1 1   -8    5   69 o   45.001   13.409   1.6398   5.9690   10.282   8.9136  -5.3861   8.0371   55.312   21.237   34.689   16.377 20.62331 26.81825 
1 1 1   -8    6    1 o  1123.94   13.470  3418.96   81.805  3431.67  116.201  3406.47  115.185  1126.01   19.098  1121.87   19.000 4.131714 26.93950 
1 1 1   -8    6    2 o  534.609   9.6476  772.552   27.870   0.0000   0.0000  772.552   27.870  ?   ?   534.609   9.6476      ?      ? 
1 1 1   -8    6    3 o  1302.80   15.539  4596.49  109.391  4615.30  155.433  4578.03  153.982  1305.43   22.034  1300.17   21.917 5.264038 31.07846 
1 1 1   -8    6    5 o  290.679   4.4777  228.230   7.0317  222.728   9.8230  234.013   10.070  287.087   6.3320  294.270   6.3329 -7.183105 8.955460 
1 1 1   -8    6    6 o  1219.44   14.575  4025.67   96.027  4069.05  137.351  3984.19  134.305  1225.85   20.735  1213.03   20.489 12.81824 29.15069 
1 1 1   -8    6    7 o  188.790   3.9460   96.341   4.0242   93.859   5.7049   98.799   5.6774  186.369   5.6648  191.211   5.4948 -4.842117 7.891922 
1 1 1   -8    6    8 o  904.246   10.949  2211.52   53.494  2186.44   74.871  2237.67   76.457  899.016   15.412  909.476   15.557 -10.46033 21.89884 
1 1 1   -8    6    9 o  195.629   3.9536  103.189   4.1723  107.210   6.1205   99.698   5.7027  199.181   5.6865  192.078   5.4943 7.103653 7.907220 
1 1 1   -8    6   10 o  388.570   5.3406  408.069   11.213  409.650   15.973  406.533   15.744  389.311   7.5926  387.829   7.5126 1.482178 10.68115 
1 1 1   -8    6   11 o  1318.89   15.754  4717.81  112.265  4753.16  160.023  4683.56  157.539  1323.73   22.371  1314.05   22.187 9.684204 31.50753 
1 1 1   -8    6   12 o  547.215   6.9770  809.729   20.629  814.831   29.402  804.782   28.950  548.910   9.9126  545.519   9.8210 3.390564 13.95393 
1 1 1   -8    6   13 o  461.482   8.5763  575.845   21.387   0.0000   0.0000  575.845   21.387  ?   ?   461.482   8.5763      ?      ? 
1 1 1   -8    6   14 o  421.268   5.6924  479.774   12.957  474.220   18.219  485.459   18.432  418.801   8.0504  423.735   8.0501 -4.933990 11.38475 
1 1 1   -8    6   15 o  342.184   4.9375  316.534   9.1296  315.564   12.923  317.500   12.899  341.660   6.9996  342.708   6.9656 -1.047607 9.874965 
1 1 1   -8    6   16 o  187.579   4.0567   95.131   4.1106   92.578   5.8256   97.662   5.8010  185.071   5.8253  190.087   5.6476 -5.015656 8.113477 
1 1 1   -8    6   17 o  348.316   6.0698  335.121   11.067  296.396   17.407  361.390   14.337  331.021   9.7318  365.611   7.2569 -34.58981 12.13959 
1 1 1   -8    6   20 o  467.773   8.8678  590.760   22.374  563.964   30.530  621.847   32.884  456.363   12.380  479.182   12.700 -22.81958 17.73558 
1 1 1   -8    6   21 o  446.424   6.0060  534.906   14.404  576.089   21.839  503.194   19.164  461.503   8.7572  431.346   8.2219 30.15659 12.01199 
1 1 1   -8    6   22 f  234.340   4.4121  148.524   5.5810  146.706   8.0547  150.204   7.7402  232.956   6.3987  235.724   6.0766 -2.767227 8.824255 
1 1 1   -8    6   23 f  149.117   4.5971   60.279   3.6890   57.966   5.4066   62.293   5.0462  146.429   6.8330  151.804   6.1517 -5.375565 9.194133 
1 1 1   -8    6   24 o  640.609   8.0398  1110.33   27.828  1097.39   39.016  1123.73   39.703  636.814   11.338  644.404   11.402 -7.590027 16.07960 
1 1 1   -8    6   25 o  404.797   5.6324  442.947   12.319  434.583   17.299  451.551   17.546  400.921   7.9852  408.674   7.9455 -7.753235 11.26475 
1 1 1   -8    6   26 o  434.583   5.9317  510.329   13.925  498.509   19.387  522.924   20.013  429.390   8.3555  439.777   8.4216 -10.38715 11.86331 
1 1 1   -8    6   27 o  508.342   6.6683  698.477   18.313  685.814   25.548  711.859   26.263  503.607   9.3881  513.077   9.4727 -9.469727 13.33669 
1 1 1   -8    6   28 o  1676.74   20.004  7647.62  181.240  7618.02  255.319  7677.69  257.318  1673.49   28.234  1679.99   28.345 -6.496948 40.00737 
1 1 1   -8    6   29 o  747.267   9.2441  1510.71   37.327  1505.26   52.663  1516.21   52.914  745.914   13.066  748.620   13.080 -2.705566 18.48811 
1 1 1   -8    6   30 o  1085.70   13.088  3193.23   76.776  3167.21  107.732  3220.08  109.445  1081.21   18.439  1090.18   18.578 -8.963867 26.17573 
1 1 1   -8    6   31 o  832.544   10.212  1876.10   45.944  1872.06   64.886  1880.17   65.063  831.646   14.439  833.443   14.447 -1.796997 20.42495 
1 1 1   -8    6   32 o  542.405   7.0681  795.584   20.716  796.254   29.389  794.923   29.206  542.631   10.023  542.180   9.9687 0.4512329 14.13616 
1 1 1   -8    6   33 o  1136.30   13.687  3496.55   83.969  3414.02  115.866  3587.84  121.862  1122.24   19.106  1150.36   19.604 -28.11475 27.37471 
1 1 1   -8    6   34 o  122.751   7.2006   40.686   4.7704   39.451   6.5541   42.077   6.9567  120.775   10.043  124.727   10.322 -3.952339 14.40117 
1 1 1   -8    6   35 o  1486.36   17.809  6013.06  143.033  5981.35  201.212  6045.44  203.363  1482.43   25.118  1490.29   25.253 -7.862305 35.61815 
1 1 1   -8    6   37 o  681.081   8.6563  1255.35   31.854  1239.02   44.633  1272.29   45.476  676.573   12.208  685.589   12.275 -9.016663 17.31254 
1 1 1   -8    6   38 o  233.891   5.8042  148.214   7.3220  141.270   10.510  154.764   10.207  228.549   8.5100  239.232   7.8954 -10.68311 11.60848 
1 1 1   -8    6   39 o  215.751   5.9949  125.892   6.9872  125.897   9.9990  125.888   9.7679  215.752   8.5766  215.749   8.3785 0.2365112E-02 11.98987 
1 1 1   -8    6   40 o  477.396   6.6763  616.361   17.217  601.586   23.992  632.049   24.722  471.503   9.4167  483.289   9.4666 -11.78659 13.35255 
1 1 1   -8    6   41 o  505.237   6.9322  690.896   18.925  687.528   26.784  694.256   26.746  504.004   9.8345  506.470   9.7726 -2.465851 13.86435 
1 1 1   -8    6   42 o  158.928   7.2606   68.362   6.2324   71.356   8.9299   65.519   8.7024  162.322   10.181  155.534   10.354 6.787125 14.52113 
1 1 1   -8    6   43 o  560.654   7.4512  851.781   22.574  850.625   31.978  852.928   31.870  560.271   10.563  561.037   10.512 -0.7656250 14.90237 
1 1 1   -8    6   44 o  640.830   8.2504  1113.95   28.570  1107.89   40.374  1120.03   40.433  639.079   11.691  642.582   11.645 -3.503235 16.50081 
1 1 1   -8    6   45 o  634.148   8.1903  1091.49   28.060  1099.05   40.136  1084.26   39.245  636.273   11.674  632.022   11.491 4.250427 16.38052 
1 1 1   -8    6   46 o  405.245   6.1783  443.009   13.479  468.699   20.136  422.148   18.144  415.806   8.9616  394.683   8.5075 21.12366 12.35666 
1 1 1   -8    6   47 o  433.431   8.8536  510.765   20.722  527.252   29.999  495.721   28.657  440.089   12.615  426.774   12.426 13.31464 17.70723 
1 1 1   -8    6   48 o  462.377   9.2136  582.698   23.004  567.117   31.813  599.775   33.305  455.947   12.912  468.808   13.147 -12.86172 18.42720 
1 1 1   -8    6   49 o  266.666   5.6536  192.972   8.1415  191.201   11.694  194.639   11.342  265.457   8.1521  267.876   7.8354 -2.419159 11.30715 
1 1 1   -8    6   50 o  171.140   9.5701   78.841   8.7467   98.108   13.268   64.032   11.632  189.418   12.963  152.863   14.082 36.55577 19.14018 
1 1 1   -8    6   51 o  256.903   8.2409  181.107   11.386  171.757   16.660  189.302   15.597  250.484   12.308  263.322   10.961 -12.83760 16.48171 
1 1 1   -8    6   52 o  169.422   8.3735   71.508   7.0804   97.838   13.506   61.530   8.3145  188.698   13.246  150.147   10.248 38.55098 16.74703 
1 1 1   -8    6   53 o  101.022   11.657   26.981   6.1370   23.447   7.5606   33.806   10.508   92.020   15.205  110.025   17.674 -18.00468 23.31416 
1 1 1   -8    6   54 o  364.463   7.4640  363.181   13.570  366.441   24.469  361.733   16.308  364.643   12.418  364.283   8.2845 0.3602600 14.92806 
1 1 1   -8    6   55 o  510.106   8.8471  716.927   22.688  723.649   40.301  713.808   27.452  509.808   14.629  510.405   9.9534 -0.5975037 17.69415 
1 1 1   -8    6   56 f   70.075   13.512   14.460   5.2216   14.913   7.9651   14.118   6.9147   70.951   19.945   69.198   18.236 1.753128 27.02462 
1 1 1   -8    6   57 o  262.934   5.6484  188.976   8.0054  189.368   11.745  188.635   10.940  263.082   8.2621  262.787   7.7043 0.2950745 11.29685 
1 1 1   -8    6   58 o   66.003   13.059   11.836   5.2298   20.700   7.9664   5.1238   6.9328   83.281   18.210   48.725   18.724 34.55600 26.11870 
1 1 1   -8    6   59 o  258.593   5.7813  183.480   8.0715  180.794   11.607  185.994   11.232  256.668   8.3686  260.517   7.9789 -3.848602 11.56266 
1 1 1   -8    6   60 o   70.988   13.109   14.594   5.3032   22.542   8.0593   8.5254   7.0428   86.629   17.812   55.346   19.238 31.28250 26.21709 
1 1 1   -8    6   61 o  109.213   11.156   31.661   6.2246   43.784   11.283   26.356   7.4632  122.404   17.058   96.021   14.384 26.38281 22.31266 
1 1 1   -8    6   62 f  104.852   12.625   33.115   6.4074   32.297   11.402   33.492   7.7463  101.156   21.521  108.548   13.206 -7.391914 25.24970 
1 1 1   -8    6   63 o  150.916   9.2540   65.964   7.3413   70.084   9.5606   60.045   11.460  157.818   11.211  144.014   14.726 13.80447 18.50809 
1 1 1   -8    6   64 o   80.208   12.898   19.468   6.0009   32.377   8.8727   8.5839   8.1469  104.979   15.641   55.437   20.514 49.54141 25.79666 
1 1 1   -8    6   65 o   81.053   13.982   22.014   6.1172   17.877   9.2854   25.186   8.1311   72.514   21.874   89.592   17.423 -17.07790 27.96451 
1 1 1   -8    6   66 o  123.908   13.573   44.608   9.0876   0.0000   0.0000   44.608   9.0876  ?   ?   123.908   13.573      ?      ? 
1 1 1   -8    6   67 o  186.889   7.2775   99.335   7.3313  106.858   10.840   92.992   9.9528  193.295   10.378  180.484   10.205 12.81161 14.55501 
1 1 1   -8    6   68 o   50.309   14.379   6.0021   6.2046   10.841   9.1275   1.8457   8.4596   57.227   21.605   43.391   18.980 13.83520 28.75785 
1 1 1   -8    6   69 o   88.672   13.764   27.312   6.3779   29.807   9.6577   25.383   8.4935   91.709   20.048   85.635   18.864 6.073868 27.52750 
1 1 1   -8    7    1 o  1049.77   17.860  2982.44  101.310   0.0000   0.0000  2982.44  101.310  ?   ?   1049.77   17.860      ?      ? 
1 1 1   -8    7    2 o  450.457   5.9950  548.131   14.586  558.320   21.006  538.646   20.269  454.495   8.5533  446.419   8.4024 8.076355 11.98994 
1 1 1   -8    7    3 o  534.737   6.8622  772.394   19.817  788.909   28.611  757.163   27.475  540.224   9.8011  529.249   9.6071 10.97571 13.72434 
1 1 1   -8    7    4 o  610.476   7.6710  1007.43   25.302  1015.66   36.109  999.489   35.465  612.922   10.902  608.029   10.794 4.893982 15.34194 
1 1 1   -8    7    5 o  235.852   4.2298  150.292   5.3897  146.265   7.5694  154.434   7.6762  232.647   6.0211  239.056   5.9424 -6.409286 8.459642 
1 1 1   -8    7    6 o  897.683   15.398  2180.26   74.694   0.0000   0.0000  2180.26   74.694  ?   ?   897.683   15.398      ?      ? 
1 1 1   -8    7    7 o  746.760   9.1772  1508.30   37.032  1506.80   52.342  1509.81   52.401  746.388   12.978  747.132   12.979 -0.7437744 18.35441 
1 1 1   -8    7    8 o  820.702   10.016  1822.51   44.420  1824.71   62.921  1820.31   62.719  821.196   14.179  820.207   14.151 0.9896240 20.03260 
1 1 1   -8    7    9 o  251.557   4.2906  171.041   5.8319  169.770   8.2773  172.293   8.2181  250.629   6.1118  252.485   6.0234 -1.856155 8.581130 
1 1 1   -8    7   10 o  324.627   4.8418  284.754   8.4900  288.308   12.210  281.428   11.813  326.586   6.9188  322.668   6.7752 3.917267 9.683671 
1 1 1   -8    7   11 o  922.235   11.177  2303.91   55.698  2290.84   78.344  2317.27   79.200  919.597   15.766  924.874   15.847 -5.276978 22.35398 
1 1 1   -8    7   12 o  468.373   6.1805  593.185   15.642  594.846   22.236  591.558   22.007  469.021   8.7736  467.726   8.7074 1.295013 12.36101 
1 1 1   -8    7   13 o  1004.37   12.127  2734.27   65.816  2717.47   92.564  2751.45   93.600  1001.26   17.108  1007.48   17.193 -6.224670 24.25478 
1 1 1   -8    7   14 o  549.417   9.9598  816.506   29.569   0.0000   0.0000  816.506   29.569  ?   ?   549.417   9.9598      ?      ? 
1 1 1   -8    7   15 o  729.813   9.0048  1441.23   35.500  1417.73   49.450  1466.23   50.996  723.686   12.645  735.941   12.823 -12.25494 18.00960 
1 1 1   -8    7   16 o  440.479   8.4331  524.374   20.057  545.495   29.068  505.180   27.710  448.929   11.983  432.029   11.870 16.90039 16.86626 
1 1 1   -8    7   19 o  161.999   6.7784   71.042   5.9304   69.234   8.4539   72.793   8.3214  159.965   9.7802  164.034   9.3880 -4.068573 13.55680 
1 1 1   -8    7   20 o  592.786   7.5314  950.950   24.124  951.444   34.222  950.463   34.013  592.936   10.681  592.635   10.621 0.3004150 15.06286 
1 1 1   -8    7   21 o  909.273   11.061  2240.83   54.342  2219.39   76.220  2263.00   77.500  904.860   15.588  913.686   15.697 -8.825256 22.12208 
1 1 1   -8    7   22 o  818.216   10.020  1813.45   44.299  1801.20   62.309  1825.97   62.993  815.427   14.141  821.005   14.199 -5.577942 20.03940 
1 1 1   -8    7   23 o  332.065   7.0292  298.103   12.613   0.0000   0.0000  298.103   12.613  ?   ?   332.065   7.0292      ?      ? 
1 1 1   -8    7   24 o  245.304   4.5007  162.719   5.9616  160.620   8.5617  164.695   8.3060  243.765   6.4998  246.842   6.2271 -3.077286 9.001341 
1 1 1   -8    7   25 o  963.300   11.681  2511.81   60.760  2454.90   84.017  2574.20   87.976  951.903   16.334  974.697   16.703 -22.79413 23.36230 
1 1 1   -8    7   26 o  850.798   10.404  1959.70   47.831  1946.89   67.284  1972.80   68.009  847.990   14.684  853.606   14.744 -5.615601 20.80865 
1 1 1   -8    7   27 o  274.064   4.8027  202.940   7.1082  205.174   10.255  200.873   9.8616  275.514   6.8882  272.614   6.6944 2.900269 9.605335 
1 1 1   -8    7   28 o  1273.17   15.263  4395.45  105.001  4378.41  147.966  4412.73  149.029  1270.69   21.549  1275.64   21.620 -4.956421 30.52526 
1 1 1   -8    7   29 o  1080.61   13.031  3162.83   76.078  3128.93  106.465  3198.20  108.753  1074.71   18.333  1086.51   18.523 -11.80127 26.06166 
1 1 1   -8    7   30 o  805.319   9.9079  1754.44   43.102  1726.29   60.047  1784.36   61.907  798.668   13.913  811.970   14.109 -13.30280 19.81571 
1 1 1   -8    7   31 o  641.614   8.1212  1113.55   28.157  1111.85   39.868  1115.24   39.772  641.125   11.508  642.104   11.463 -0.9787598 16.24246 
1 1 1   -8    7   32 o  361.803   5.5137  353.704   10.777  343.383   15.070  364.507   15.418  356.403   7.8247  367.204   7.7702 -10.80026 11.02734 
1 1 1   -8    7   33 o  655.699   8.3090  1162.62   29.431  1141.88   40.987  1184.69   42.285  649.671   11.675  661.727   11.826 -12.05560 16.61798 
1 1 1   -8    7   34 o  418.851   6.0192  474.381   13.623  470.810   19.244  477.969   19.289  417.270   8.5345  420.432   8.4904 -3.162170 12.03848 
1 1 1   -8    7   35 o  508.463   6.8658  698.898   18.854  711.604   27.197  687.141   26.161  512.903   9.8130  504.022   9.6053 8.880646 13.73161 
1 1 1   -8    7   36 o  243.552   5.7558  160.461   7.5708  157.907   10.835  162.897   10.583  241.654   8.2977  245.450   7.9790 -3.795898 11.51156 
1 1 1   -8    7   37 o  617.677   8.0206  1032.41   26.764  1040.54   38.322  1024.68   37.396  620.040   11.438  615.314   11.247 4.725891 16.04119 
1 1 1   -8    7   38 o  1170.82   14.153  3723.30   89.527  3761.13  128.031  3687.11  125.235  1176.60   20.137  1165.04   19.893 11.55713 28.30594 
1 1 1   -8    7   39 o  661.089   8.4664  1183.25   30.241  1168.60   42.357  1198.48   43.189  656.922   11.932  665.257   12.014 -8.335327 16.93287 
1 1 1   -8    7   40 o  726.666   9.1640  1430.45   35.975  1405.64   50.191  1456.67   51.590  720.198   12.897  733.134   13.023 -12.93561 18.32807 
1 1 1   -8    7   41 o  158.362   7.5212   67.943   6.4269   67.284   9.3186   68.541   8.8755  157.619   10.941  159.105   10.323 -1.486420 15.04244 
1 1 1   -8    7   42 o  253.340   5.8214  173.851   7.9623  166.928   11.325  180.618   11.197  248.337   8.4394  258.342   8.0207 -10.00546 11.64279 
1 1 1   -8    7   43 o  386.126   6.0360  403.661   12.592  402.206   17.944  405.072   17.675  385.434   8.6156  386.819   8.4561 -1.384979 12.07205 
1 1 1   -8    7   44 o  572.289   7.5833  887.846   23.447  873.405   32.805  902.928   33.526  567.538   10.697  577.039   10.752 -9.501587 15.16667 
1 1 1   -8    7   45 o  416.262   6.2405  469.205   14.032  453.875   19.539  485.530   20.163  409.245   8.8355  423.279   8.8154 -14.03351 12.48108 
1 1 1   -8    7   46 o  419.552   8.7100  478.632   19.743  470.721   27.587  486.937   28.266  416.010   12.272  423.094   12.364 -7.083984 17.42005 
1 1 1   -8    7   47 o  310.787   7.8559  262.343   13.186  253.153   18.286  272.297   19.031  305.127   11.091  316.447   11.129 -11.32001 15.71183 
1 1 1   -8    7   48 o  320.301   6.9851  279.420   11.590  280.765   14.485  277.027   19.324  321.657   8.3336  318.945   11.212 2.711487 13.97027 
1 1 1   -8    7   49 o  283.966   6.9125  219.987   10.118  221.786   12.579  216.689   17.028  285.887   8.1426  282.044   11.173 3.843384 13.82508 
1 1 1   -8    7   50 o  213.372   8.8612  123.867   10.190  134.572   15.077  114.865   13.825  221.804   12.579  204.939   12.484 16.86453 17.72241 
1 1 1   -8    7   51 o   97.561   14.963   26.757   7.9051   38.356   11.856   17.475   10.607  117.263   18.711   77.858   23.354 39.40437 29.92545 
1 1 1   -8    7   52 o  224.907   7.2504  136.649   8.4186  133.265   10.405  143.063   14.325  221.248   8.7030  228.566   11.599 -7.318253 14.50070 
1 1 1   -8    7   53 o  390.439   7.6673  413.486   14.840  427.703   27.225  407.477   17.701  394.140   12.783  386.738   8.4703 7.402649 15.33451 
1 1 1   -8    7   54 o  161.354   8.4279   66.127   6.7042   85.698   12.989   59.019   7.8274  175.878   13.667  146.830   9.8654 29.04814 16.85588 
1 1 1   -8    7   55 o   89.888   11.909   24.117   5.5043   17.320   8.2418   29.590   7.3952   76.461   19.793  103.315   13.246 -26.85394 23.81702 
1 1 1   -8    7   56 o  456.456   6.6394  569.106   16.316  599.302   24.360  544.543   21.971  467.194   9.6494  445.717   9.1224 21.47693 13.27887 
1 1 1   -8    7   57 o   70.974   13.423   15.199   5.2643   13.230   7.9571   16.731   7.0204   66.834   20.269   75.115   17.603 -8.281509 26.84582 
1 1 1   -8    7   58 o  107.530   9.6102   32.703   5.5164   31.022   8.3390   34.010   7.3559  104.689   14.741  110.370   12.334 -5.681068 19.22030 
1 1 1   -8    7   59 o  204.019   6.2010  114.418   6.8144  115.086   10.057  113.851   9.2652  204.430   9.1044  203.608   8.4212 0.8220520 12.40190 
1 1 1   -8    7   60 f  140.144   7.9450   53.872   5.9184   69.458   8.9741   41.875   7.8732  158.058   10.507  122.231   11.920 35.82695 15.89000 
1 1 1   -8    7   61 o  160.902   7.2872   72.455   6.2651   69.628   9.4827   74.646   8.3462  157.700   11.128  164.103   9.4120 -6.402863 14.57442 
1 1 1   -8    7   62 o  114.937   11.452   37.502   6.5162   41.036   12.055   36.043   7.7451  117.060   19.058  112.815   12.705 4.245148 22.90471 
1 1 1   -8    7   63 f   50.776   13.881   5.5965   5.8356  -1.2545   9.2173   10.180   7.5391   43.322   19.337   58.230   19.921 -14.90768 27.76251 
1 1 1   -8    7   64 f   99.780   13.298   29.948   6.9374   22.542   9.0470   40.518   10.808   83.560   20.249  115.999   17.243 -32.43923 26.59533 
1 1 1   -8    7   65 o   54.773   14.487   8.5143   5.9943   4.2794   9.1150   11.742   7.9569   48.974   20.509   60.572   20.466 -11.59769 28.97404 
1 1 1   -8    7   66 o  105.957   11.380   33.209   6.4809   37.959   9.7334   29.426   8.6865  112.769   15.973   99.146   16.214 13.62292 22.76005 
1 1 1   -8    7   67 o   40.173   12.860  -0.8953   6.1058  -4.9228   9.3158   2.1378   8.0844   37.807   17.783   42.538   18.582 -4.731285 25.72020 
1 1 1   -8    7   68 o  134.018   9.3773   52.834   6.7492   60.110   10.240   47.247   8.9743  141.997   13.346  126.039   13.177 15.95784 18.75453 
1 1 1   -8    7   69 o   58.281   15.156   12.670   6.2926   11.633   9.3608   13.526   8.4997   56.467   21.742   60.096   21.120 -3.629177 30.31128 
1 1 1   -8    8    1 o  318.727   4.8619  274.332   8.3687  281.215   12.090  268.001   11.595  322.561   6.9365  314.893   6.8144 7.667358 9.723801 
1 1 1   -8    8    3 o  876.458   10.667  2079.21   50.517  2084.99   71.672  2073.50   71.214  877.666   15.112  875.250   15.057 2.415710 21.33315 
1 1 1   -8    8    4 o  562.427   7.1898  855.396   21.851  854.644   30.939  856.143   30.865  562.180   10.185  562.675   10.151 -0.4942627 14.37966 
1 1 1   -8    8    5 o  610.230   7.7060  1007.08   25.408  1013.77   36.233  1000.61   35.639  612.220   10.952  608.240   10.843 3.979370 15.41209 
1 1 1   -8    8    6 o  475.767   6.2826  611.699   16.145  623.024   23.241  601.136   22.445  480.017   8.9599  471.516   8.8093 8.501007 12.56520 
1 1 1   -8    8    7 o  482.027   6.3442  628.004   16.519  638.056   23.753  618.589   22.988  485.757   9.0491  478.297   8.8944 7.460632 12.68840 
1 1 1   -8    8    9 o  744.429   9.1796  1499.64   36.920  1481.78   51.625  1518.32   52.820  739.902   12.912  748.956   13.051 -9.053406 18.35924 
1 1 1   -8    8   10 o  596.565   7.5524  962.734   24.346  957.848   34.333  967.677   34.529  595.042   10.678  598.087   10.684 -3.044556 15.10488 
1 1 1   -8    8   11 o  639.317   8.0224  1105.88   27.714  1109.61   39.374  1102.23   39.015  640.381   11.379  638.253   11.312 2.127686 16.04484 
1 1 1   -8    8   12 f  223.385   4.3244  134.262   5.2073  144.295   7.6953  125.787   7.0725  231.047   6.1637  215.723   6.0672 15.32419 8.648784 
1 1 1   -8    8   13 o  402.078   7.8712  437.121   17.102   0.0000   0.0000  437.121   17.102  ?   ?   402.078   7.8712      ?      ? 
1 1 1   -8    8   14 o  636.258   9.7446  1110.93   32.340  1156.41   41.191  1037.84   52.217  653.674   11.661  618.841   15.615 34.83289 19.48911 
1 1 1   -8    8   17 o  264.586   9.5464  189.392   13.649  189.392   13.649   0.0000   0.0000  264.586   9.5464  ?   ?       ?      ? 
1 1 1   -8    8   18 o  816.599   12.247  1823.29   51.484  1763.96   86.493  1855.84   64.071  805.667   19.867  827.531   14.328 -21.86481 24.49494 
1 1 1   -8    8   19 o  857.541   10.473  1992.91   48.528  1988.11   68.547  1997.73   68.711  856.507   14.810  858.575   14.810 -2.067688 20.94504 
1 1 1   -8    8   20 o  422.774   5.8265  482.575   13.299  465.053   18.340  502.006   19.313  414.696   8.1842  430.852   8.2952 -16.15582 11.65294 
1 1 1   -8    8   21 o  390.597   5.5150  412.333   11.637  402.944   16.245  422.231   16.679  386.032   7.7878  395.161   7.8110 -9.129852 11.03002 
1 1 1   -8    8   22 o  393.250   5.5693  417.705   11.829  402.698   16.428  433.860   17.045  385.923   7.8777  400.577   7.8746 -14.65402 11.13856 
1 1 1   -8    8   23 o  395.526   5.5935  422.980   11.954  419.883   16.949  426.046   16.863  394.083   7.9592  396.968   7.8615 -2.885071 11.18707 
1 1 1   -8    8   24 f  736.672   9.1392  1467.29   36.355  1431.48   50.279  1506.52   52.629  727.277   12.794  746.068   13.054 -18.79199 18.27845 
1 1 1   -8    8   25 o  706.206   8.8023  1349.44   33.590  1341.30   47.349  1357.68   47.659  704.063   12.446  708.349   12.451 -4.286682 17.60452 
1 1 1   -8    8   26 o  1438.35   17.210  5617.66  133.752  5573.91  187.608  5662.88  190.739  1432.69   24.233  1444.01   24.445 -11.32544 34.42068 
1 1 1   -8    8   27 o  1322.64   15.847  4744.72  113.247  4777.11  161.434  4713.32  158.908  1327.06   22.512  1318.22   22.309 8.842773 31.69332 
1 1 1   -8    8   28 o  428.178   5.9641  495.475   13.797  485.849   19.321  505.492   19.710  423.935   8.4341  432.420   8.4350 -8.484772 11.92823 
1 1 1   -8    8   29 o  847.483   10.386  1944.02   47.559  1932.44   66.931  1955.83   67.592  844.938   14.659  850.028   14.715 -5.090271 20.77108 
1 1 1   -8    8   30 o  635.100   8.0585  1090.57   27.645  1106.95   39.754  1075.22   38.470  639.711   11.500  630.490   11.292 9.221069 16.11703 
1 1 1   -8    8   31 f  920.980   11.227  2295.45   55.846  2253.13   77.572  2340.97   80.464  912.192   15.737  929.768   16.016 -17.57538 22.45351 
1 1 1   -8    8   32 o  442.149   6.2133  528.581   14.843  528.852   21.158  528.319   20.829  442.258   8.8534  442.040   8.7199 0.2180176 12.42658 
1 1 1   -8    8   33 o  566.409   10.426  867.818   31.910   0.0000   0.0000  867.818   31.910  ?   ?   566.409   10.426      ?      ? 
1 1 1   -8    8   34 o  198.372   5.7151  106.109   6.1134  110.807   9.0045  102.091   8.3265  202.431   8.2318  194.312   7.9301 8.118561 11.43019 
1 1 1   -8    8   36 o  432.808   6.2898  506.653   14.709  504.380   20.896  508.886   20.709  431.842   8.9548  433.773   8.8350 -1.930817 12.57958 
1 1 1   -8    8   37 f  757.384   9.4983  1553.11   38.864  1526.88   54.255  1580.74   55.697  750.828   13.373  763.940   13.492 -13.11194 18.99653 
1 1 1   -8    8   38 o  608.182   7.9634  1000.24   26.156  972.857   36.244  1030.01   37.784  599.511   11.188  616.853   11.336 -17.34235 15.92681 
1 1 1   -8    8   39 o  565.310   7.5426  863.984   23.022  834.685   31.796  896.273   33.378  555.257   10.597  575.362   10.736 -20.10522 15.08512 
1 1 1   -8    8   40 o  624.802   8.0962  1057.23   27.333  1045.63   38.475  1069.06   38.838  621.339   11.459  628.264   11.440 -6.924683 16.19236 
1 1 1   -8    8   41 o  352.245   5.8812  335.800   11.191  335.324   16.022  336.252   15.638  351.994   8.4235  352.496   8.2098 -0.5017395 11.76249 
1 1 1   -8    8   42 o  732.378   9.2395  1455.73   36.564  1443.89   51.439  1467.83   51.984  729.370   13.051  735.385   13.082 -6.014465 18.47900 
1 1 1   -8    8   43 o  402.269   6.1801  437.785   13.427  420.886   18.676  455.868   19.319  394.238   8.7665  410.300   8.7134 -16.06210 12.36022 
1 1 1   -8    8   44 o  377.726   6.0045  386.482   12.250  386.732   17.599  386.247   17.061  377.830   8.6202  377.623   8.3611 0.2070007 12.00896 
1 1 1   -8    8   45 o  146.549   9.8323   58.500   7.7667   53.153   10.859   64.099   11.113  139.652   14.390  153.447   13.402 -13.79486 19.66456 
1 1 1   -8    8   46 o  188.584   8.6773   96.900   8.8316   93.423   12.652  100.203   12.333  185.241   12.640  191.928   11.892 -6.687363 17.35466 
1 1 1   -8    8   47 o  568.075   9.2645  879.775   26.958  877.820   33.200  883.558   46.184  568.052   10.816  568.099   15.045 -0.4669189E-01 18.52898 
1 1 1   -8    8   48 o  108.040   10.498   33.983   5.6278   22.605   8.2400   43.930   7.7047   89.080   17.742  127.001   11.227 -37.92001 20.99542 
1 1 1   -8    8   49 o  115.771   13.979   37.320   8.4776   45.541   12.704   30.721   11.383  128.294   18.325  103.248   21.114 25.04609 27.95750 
1 1 1   -8    8   50 o  363.975   8.6957  362.415   17.087  341.216   23.872  384.685   24.468  352.983   12.516  374.967   12.076 -21.98370 17.39138 
1 1 1   -8    8   51 o  247.289   8.4178  167.794   11.155  164.932   16.813  170.045   14.910  245.174   12.690  249.404   11.063 -4.229446 16.83562 
1 1 1   -8    8   52 o  174.162   6.6875   83.044   6.2610   79.111   9.2018   86.433   8.5435  170.210   10.005  178.113   8.8767 -7.902496 13.37491 
1 1 1   -8    8   53 o   70.505   14.796   15.152   6.0169   9.1532   11.209   17.581   7.1315   63.276   23.928   77.735   17.410 -14.45904 29.59198 
1 1 1   -8    8   54 o  134.920   7.9406   50.423   5.7325   46.890   8.5382   53.322   7.7350  130.392   12.118  139.449   10.265 -9.056717 15.88127 
1 1 1   -8    8   55 o  149.225   7.2796   59.568   5.7920   73.711   9.0634   49.805   7.5302  163.818   10.239  134.632   10.351 29.18513 14.55914 
1 1 1   -8    8   56 f  131.852   8.1456   47.556   5.7694   54.471   8.7155   42.162   7.6973  140.290   11.497  123.414   11.542 16.87581 16.29110 
1 1 1   -8    8   57 o  148.044   7.4222   59.197   5.8696   72.552   9.0800   49.610   7.6930  162.111   10.365  133.978   10.626 28.13248 14.84443 
1 1 1   -8    8   58 o  312.842   5.8089  268.308   9.8043  270.245   14.295  266.588   13.472  313.784   8.4310  311.901   7.9933 1.883972 11.61781 
1 1 1   -8    8   59 o  155.880   7.4393   66.819   6.2369   74.769   9.3714   60.498   8.3563  164.107   10.568  147.652   10.473 16.45407 14.87860 
1 1 1   -8    8   60 o   78.711   13.362   19.071   5.5848   18.430   8.4572   19.566   7.4370   77.005   20.107   80.418   17.603 -3.413040 26.72359 
1 1 1   -8    8   61 o   64.855   13.790   13.053   5.4732   8.1119   8.1659   17.083   7.3749   55.248   20.519   74.463   18.428 -19.21532 27.57966 
1 1 1   -8    8   62 o  121.281   9.3196   41.730   6.0526   43.285   9.2602   40.570   7.9974  122.868   13.947  119.694   12.365 3.174492 18.63917 
1 1 1   -8    8   63 o  220.054   7.6522  131.887   8.4487  148.153   15.415  124.902   10.101  227.976   12.513  212.132   8.8120 15.84425 15.30435 
1 1 1   -8    8   64 o  112.844   13.268   42.593   7.3172   52.498   9.5629   28.604   11.365  134.405   13.167   91.283   23.039 43.12247 26.53620 
1 1 1   -8    8   65 o   35.988   12.225 -10.6440   6.8475  -9.7862   9.0275 -11.8063   10.508   34.935   16.735   37.041   17.824 -2.106033 24.44918 
1 1 1   -8    8   66 o  228.570   6.7000  147.110   8.2549  144.958   12.046  149.016   11.335  226.641   9.8356  230.498   9.1007 -3.857483 13.40007 
1 1 1   -8    8   67 o   96.710   12.763   30.318   6.4253   42.983   9.7301   20.526   8.5562  117.464   15.329   75.955   20.410 41.50945 25.52557 
1 1 1   -8    8   68 o  112.978   10.801   40.306   6.4523   34.059   9.4910   45.674   8.7982  102.833   17.080  123.122   13.224 -20.28989 21.60122 
1 1 1   -8    9    3 o  204.702   6.2892  113.263   6.9568   0.0000   0.0000  113.263   6.9568  ?   ?   204.702   6.2892      ?      ? 
1 1 1   -8    9    4 o  770.806   9.5041  1607.72   39.573  1633.64   56.854  1583.36   55.117  776.818   13.544  764.793   13.337 12.02551 19.00828 
1 1 1   -8    9    6 o  530.146   6.8874  760.096   19.730  753.209   27.752  767.134   28.055  527.719   9.7321  532.573   9.7485 -4.854553 13.77487 
1 1 1   -8    9    7 o  412.747   5.7100  460.401   12.730  468.160   18.310  453.141   17.712  416.109   8.1431  409.385   8.0067 6.723785 11.42005 
1 1 1   -8    9    8 f  919.973   11.194  2293.21   55.647  2286.82   78.549  2299.65   78.846  918.688   15.823  921.258   15.838 -2.570251 22.38782 
1 1 1   -8    9    9 o  569.371   10.304  876.971   31.703   0.0000   0.0000  876.971   31.703  ?   ?   569.371   10.304      ?      ? 
1 1 1   -8    9   10 o  811.599   9.9546  1783.62   43.651  1799.89   62.327  1767.95   61.154  815.222   14.149  807.976   14.007 7.245972 19.90914 
1 1 1   -8    9   11 o  432.753   7.2886  502.323   15.963  494.522   19.355  518.919   28.229  427.639   8.3757  437.867   11.931 -10.22815 14.57729 
1 1 1   -8    9   12 o  536.318   9.8674  777.618   28.559  805.856   41.713  752.703   39.182  545.448   14.152  527.189   13.754 18.25861 19.73488 
1 1 1   -8    9   16 o  761.412   11.499  1585.21   45.114  1529.50   75.582  1616.04   56.230  750.471   18.638  772.352   13.473 -21.88049 22.99760 
1 1 1   -8    9   17 o  101.301   6.1951   27.805   3.3793   27.119   4.9567   28.400   4.6192  100.127   9.1613  102.475   8.3418 -2.348206 12.39010 
1 1 1   -8    9   18 o  291.372   4.8078  229.504   7.5688  224.526   10.655  234.573   10.753  288.183   6.8425  294.562   6.7557 -6.379639 9.615554 
1 1 1   -8    9   19 f  857.706   10.493  1993.18   48.629  1977.06   68.313  2009.74   69.241  854.197   14.800  861.216   14.879 -7.019226 20.98593 
1 1 1   -8    9   20 o  312.983   4.9726  264.793   8.4078  256.594   11.817  273.199   11.965  308.075   7.0983  317.891   6.9657 -9.815826 9.945133 
1 1 1   -8    9   21 o  260.614   4.7681  183.570   6.7047  184.154   9.7612  183.049   9.2251  261.003   6.9210  260.225   6.5604 0.7773132 9.536259 
1 1 1   -8    9   22 o  563.974   7.2817  860.258   22.190  851.825   31.235  868.851   31.531  561.183   10.300  566.765   10.296 -5.580994 14.56343 
1 1 1   -8    9   23 o  167.060   4.9749   75.129   4.4630   78.143   6.7518   72.790   5.9477  170.019   7.3491  164.100   6.7073 5.918671 9.949733 
1 1 1   -8    9   24 o  646.810   8.1674  1131.76   28.546  1129.04   40.395  1134.48   40.345  646.030   11.571  647.589   11.529 -1.559814 16.33471 
1 1 1   -8    9   25 o  1321.94   15.841  4739.75  113.124  4671.80  157.646  4811.89  162.423  1312.22   22.233  1331.66   22.572 -19.44360 31.68230 
1 1 1   -8    9   26 o  752.814   9.3403  1533.00   37.992  1514.84   53.238  1551.85   54.232  748.276   13.167  757.352   13.252 -9.076721 18.68061 
1 1 1   -8    9   27 o  531.797   6.9856  764.714   20.074  761.271   28.451  768.127   28.326  530.604   9.9230  532.991   9.8351 -2.387878 13.97121 
1 1 1   -8    9   28 o  710.390   8.8787  1364.94   34.076  1345.62   47.629  1385.20   48.774  705.247   12.498  715.533   12.615 -10.28589 17.75747 
1 1 1   -8    9   29 o  825.744   10.158  1845.48   45.325  1833.34   63.767  1857.87   64.436  823.003   14.339  828.484   14.393 -5.481323 20.31639 
1 1 1   -8    9   30 o  1028.36   12.456  2864.24   69.203  2825.27   96.609  2905.30   99.178  1021.20   17.507  1035.53   17.724 -14.32721 24.91290 
1 1 1   -8    9   31 o  568.413   7.4284  871.936   22.785  838.817   31.233  909.614   33.313  556.907   10.379  579.919   10.631 -23.01117 14.85688 
1 1 1   -8    9   32 o  757.429   9.4284  1552.53   38.582  1529.76   53.928  1576.40   55.221  751.748   13.276  763.109   13.392 -11.36053 18.85680 
1 1 1   -8    9   33 o  803.715   9.9572  1749.41   43.244  1740.72   60.995  1758.20   61.318  801.708   14.080  805.722   14.084 -4.013428 19.91444 
1 1 1   -8    9   34 o  1165.89   14.113  3689.08   88.897  3642.79  124.356  3737.45  127.128  1158.44   19.866  1173.34   20.051 -14.90332 28.22561 
1 1 1   -8    9   35 o  847.700   10.477  1946.63   47.988  1927.23   67.310  1966.69   68.434  843.413   14.769  851.988   14.864 -8.575500 20.95419 
1 1 1   -8    9   36 f  203.660   6.2576  112.292   6.8745  110.204   9.9681  114.186   9.4934  201.846   9.1391  205.475   8.5502 -3.628525 12.51517 
1 1 1   -8    9   37 o  484.801   6.8760  635.811   18.012  624.592   25.350  647.248   25.596  480.480   9.7637  489.122   9.6845 -8.641876 13.75207 
1 1 1   -8    9   38 o  601.328   7.9040  977.549   25.659  943.771   35.363  1015.10   37.288  590.386   11.085  612.269   11.270 -21.88300 15.80798 
1 1 1   -8    9   39 o  397.838   6.1863  428.243   13.291  427.757   19.127  428.697   18.483  397.610   8.9022  398.066   8.5926 -0.4563293 12.37266 
1 1 1   -8    9   40 o  577.640   7.6775  903.708   23.962  889.644   33.606  918.254   34.176  573.070   10.852  582.211   10.863 -9.140442 15.35499 
1 1 1   -8    9   41 o  528.189   7.1767  755.541   20.480  738.441   28.661  773.381   29.274  522.083   10.159  534.294   10.139 -12.21143 14.35336 
1 1 1   -8    9   42 f  446.033   6.4888  538.216   15.631  519.010   21.684  558.988   22.551  437.761   9.1669  454.306   9.1862 -16.54486 12.97762 
1 1 1   -8    9   43 o  304.505   5.8015  251.017   9.5376  252.777   13.802  249.409   13.195  305.513   8.3600  303.498   8.0460 2.015930 11.60295 
1 1 1   -8    9   44 o  341.441   8.0263  316.701   14.805  309.685   20.989  323.649   20.887  337.652   11.503  345.229   11.196 -7.577087 16.05266 
1 1 1   -8    9   45 o  390.789   8.4401  414.631   17.808  395.946   24.620  435.135   25.791  381.569   11.940  400.009   11.932 -18.43961 16.88019 
1 1 1   -8    9   46 o  574.902   9.3776  891.459   27.250  873.566   32.981  929.955   48.375  566.837   10.768  582.966   15.356 -16.12927 18.75516 
1 1 1   -8    9   47 o  486.139   6.8286  642.400   17.932  639.819   25.672  644.859   25.059  485.145   9.7925  487.134   9.5197 -1.988525 13.65716 
1 1 1   -8    9   48 o  166.002   8.8569   73.949   7.5959   71.011   9.3658   79.595   12.984  161.497   10.732  170.507   14.092 -9.010040 17.71383 
1 1 1   -8    9   49 o  181.294   10.359   91.681   9.9881   76.712   14.550  105.022   13.736  166.756   16.147  195.831   12.980 -29.07436 20.71732 
1 1 1   -8    9   50 o  196.141   9.6700  106.565   10.167   94.550   14.705  117.568   14.071  185.207   14.693  207.074   12.576 -21.86649 19.33996 
1 1 1   -8    9   51 o  140.482   11.961   55.074   9.0216   52.770   13.361   57.005   12.231  137.514   17.980  143.450   15.779 -5.935852 23.92176 
1 1 1   -8    9   52 o  219.505   7.6271  128.904   8.1559  139.122   15.567  125.037   9.5753  224.748   12.818  214.261   8.2703 10.48650 15.25419 
1 1 1   -8    9   53 o   67.587   13.894   13.291   5.3587   13.261   8.0311   13.316   7.1944   67.626   20.330   67.547   18.944 0.7946777E-01 27.78811 
1 1 1   -8    9   54 o  122.327   8.3928   40.741   5.5116   46.842   8.3671   36.065   7.3254  130.308   11.883  114.346   11.856 15.96259 16.78557 
1 1 1   -8    9   55 o  224.829   5.9572  138.286   7.2203  137.950   10.572  138.580   9.8847  224.476   8.7156  225.182   8.1235 -0.7055359 11.91440 
1 1 1   -8    9   56 o  121.525   8.8026   40.254   5.7178   49.313   8.7826   33.590   7.5328  133.224   12.200  109.827   12.693 23.39705 17.60526 
1 1 1   -8    9   57 o   82.127   12.588   19.680   5.3773   23.538   8.3709   16.970   7.0164   88.873   18.047   75.381   17.553 13.49233 25.17512 
1 1 1   -8    9   58 o  129.425   8.5210   47.294   5.8370   43.807   9.0108   49.815   7.6618  124.785   13.363  134.064   10.576 -9.278656 17.04202 
1 1 1   -8    9   59 o  251.635   6.0388  174.065   8.1724  177.194   12.209  171.525   11.000  253.470   8.9139  249.801   8.1493 3.669388 12.07760 
1 1 1   -8    9   60 o  180.404   6.8602   89.132   6.6425  102.159   10.112   79.245   8.8099  191.818   9.7557  168.991   9.6476 22.82646 13.72040 
1 1 1   -8    9   61 o  163.885   7.3960   74.612   6.4896   77.232   9.9373   72.664   8.5692  166.071   11.074  161.699   9.8071 4.371353 14.79205 
1 1 1   -8    9   62 o   75.064   13.671   16.793   5.7977   26.437   8.9984   9.9483   7.5811   92.315   18.680   57.813   19.967 34.50146 27.34270 
1 1 1   -8    9   63 o   43.722   13.528   0.4721   5.9871   1.0676   9.3660   0.0607   7.7855   46.007   20.052   41.437   18.165 4.569935 27.05615 
1 1 1   -8    9   64 f  174.032   8.9926   87.751   7.9037   87.500   13.795   87.874   9.6433  171.699   14.869  176.364   10.119 -4.664856 17.98524 
1 1 1   -8    9   65 o  189.525   13.929  104.707   14.265   0.0000   0.0000  104.707   14.265  ?   ?   189.525   13.929      ?      ? 
1 1 1   -8    9   66 o  141.715   9.1331   59.249   6.9526   68.772   10.372   51.479   9.3693  152.270   12.606  131.160   13.219 21.10954 18.26627 
1 1 1   -8    9   67 o  161.539   8.1958   76.210   7.1010   73.361   10.561   78.561   9.5935  157.965   12.372  165.112   10.753 -7.147568 16.39157 
1 1 1   -8    9   68 o   63.068   14.300   14.975   6.2117   6.4793   9.5864   21.123   8.1554   49.250   20.849   76.887   19.577 -27.63760 28.60004 
1 1 1   -8   10    1 o  815.947   10.044  1802.86   44.283  1787.51   62.225  1818.62   63.035  812.431   14.174  819.463   14.235 -7.031921 20.08838 
1 1 1   -8   10    3 o  1074.22   12.975  3129.02   75.296  3086.42  105.015  3174.10  108.016  1066.73   18.218  1081.72   18.479 -14.98560 25.94987 
1 1 1   -8   10    4 f  801.143   13.936  1738.09   60.330   0.0000   0.0000  1738.09   60.330  ?   ?   801.143   13.936      ?      ? 
1 1 1   -8   10    5 o  689.383   8.6230  1286.01   32.116  1300.97   45.980  1271.76   44.877  693.290   12.273  685.477   12.116 7.812622 17.24594 
1 1 1   -8   10    6 o  715.979   11.045  1355.56   39.161  1308.00   46.431  1472.75   72.890  695.144   12.361  736.813   18.307 -41.66919 22.08943 
1 1 1   -8   10    7 o  311.048   9.7843  261.712   16.445   0.0000   0.0000  261.712   16.445  ?   ?   311.048   9.7843      ?      ? 
1 1 1   -8   10    8 o  376.163   7.6708  382.212   15.576  397.072   22.668  368.919   21.439  383.073   10.951  369.253   10.745 13.81961 15.34156 
1 1 1   -8   10    9 f  976.184   16.802  2590.88   88.566  2536.04  122.521  2650.90  128.173  965.454   23.485  986.913   24.034 -21.45953 33.60339 
1 1 1   -8   10   10 o  489.475   9.2080  648.665   24.352  654.054   34.756  643.468   34.129  491.466   13.087  487.483   12.956 3.982452 18.41594 
1 1 1   -8   10   13 o  791.485   19.523  1702.03   83.497   0.0000   0.0000  1702.03   83.497  ?   ?   791.485   19.523      ?      ? 
1 1 1   -8   10   14 o  346.086   6.3681  324.938   11.403  327.292   14.234  320.721   19.051  347.901   7.5718  344.271   10.241 3.630646 12.73612 
1 1 1   -8   10   15 o  588.111   7.5423  935.739   23.963  946.288   34.345  925.733   33.451  591.333   10.748  584.890   10.584 6.443420 15.08453 
1 1 1   -8   10   16 o  916.007   11.166  2274.25   55.263  2252.00   77.481  2297.30   78.845  911.458   15.732  920.556   15.850 -9.098206 22.33191 
1 1 1   -8   10   17 o  429.865   5.9676  499.724   13.861  499.439   19.706  500.004   19.501  429.741   8.4858  429.989   8.3929 -0.2477112 11.93524 
1 1 1   -8   10   18 o  421.889   5.8933  481.268   13.434  474.783   18.886  487.911   19.114  419.012   8.3410  424.766   8.3277 -5.754303 11.78651 
1 1 1   -8   10   19 o  497.545   6.6234  669.536   17.807  665.781   25.217  673.271   25.149  496.151   9.4059  498.938   9.3278 -2.787170 13.24681 
1 1 1   -8   10   20 o  437.768   6.0481  518.209   14.306  514.149   20.272  522.238   20.193  436.058   8.6034  439.479   8.5030 -3.420990 12.09624 
1 1 1   -8   10   21 o  559.403   7.2636  846.418   21.956  844.935   31.156  847.881   30.946  558.914   10.316  559.892   10.228 -0.9784546 14.52729 
1 1 1   -8   10   22 o  930.903   11.349  2347.16   57.087  2356.96   81.217  2337.59   80.258  932.815   16.112  928.992   15.988 3.823120 22.69852 
1 1 1   -8   10   23 o  214.169   4.9847  123.310   5.7438  130.972   8.6189  117.188   7.7039  220.120   7.2461  208.219   6.8470 11.90038 9.969370 
1 1 1   -8   10   24 o  561.117   7.3065  851.057   22.144  863.109   31.871  839.808   30.790  564.951   10.440  557.283   10.225 7.667847 14.61303 
1 1 1   -8   10   25 o  446.680   6.2239  539.199   15.020  526.268   21.018  552.694   21.472  441.208   8.8157  452.151   8.7880 -10.94260 12.44778 
1 1 1   -8   10   26 o  982.169   11.920  2612.27   63.261  2597.81   89.049  2627.01   89.885  979.428   16.826  984.910   16.889 -5.481873 23.83977 
1 1 1   -8   10   27 o  1152.86   13.893  3601.89   86.531  3555.33  120.820  3650.93  123.988  1145.23   19.524  1160.48   19.772 -15.24573 27.78676 
1 1 1   -8   10   28 o  674.438   8.5246  1230.19   31.057  1243.68   44.596  1217.47   43.276  678.021   12.172  670.856   11.938 7.165283 17.04922 
1 1 1   -8   10   29 o  491.774   6.6749  653.733   17.732  661.297   25.467  646.615   24.704  494.531   9.5299  489.018   9.3487 5.513214 13.34984 
1 1 1   -8   10   30 o  816.440   10.092  1803.26   44.502  1766.58   61.787  1842.80   64.151  807.830   14.154  825.049   14.389 -17.21808 20.18389 
1 1 1   -8   10   31 o  358.940   5.6935  348.210   11.037  332.484   15.456  364.572   15.766  350.671   8.1568  367.210   7.9455 -16.53864 11.38704 
1 1 1   -8   10   32 o  404.036   6.0544  441.499   13.217  433.374   18.703  449.604   18.679  400.319   8.6461  407.753   8.4775 -7.434509 12.10883 
1 1 1   -8   10   33 o  677.368   8.6389  1236.96   31.537  1177.78   42.743  1307.67   46.722  659.678   11.991  695.058   12.440 -35.37994 17.27787 
1 1 1   -8   10   34 o  361.309   5.9398  352.595   11.576  359.840   16.955  346.268   15.844  364.774   8.6016  357.844   8.1936 6.929657 11.87953 
1 1 1   -8   10   35 o  519.129   7.1032  729.157   19.924  728.240   28.392  730.046   27.965  518.802   10.128  519.457   9.9627 -0.6548462 14.20650 
1 1 1   -8   10   36 o  285.479   6.0075  218.473   9.2201  240.014   13.925  201.658   12.303  297.894   8.6507  273.065   8.3381 24.82864 12.01499 
1 1 1   -8   10   37 o  516.369   7.1108  719.904   19.816  685.983   27.203  758.250   28.923  503.446   9.9995  529.291   10.113 -25.84427 14.22165 
1 1 1   -8   10   38 o  174.378   7.2732   82.805   6.8116   74.264   9.8038   90.776   9.4709  165.611   10.955  183.146   9.5698 -17.53490 14.54634 
1 1 1   -8   10   39 o  550.143   7.4391  819.432   22.112  804.483   30.960  834.997   31.591  545.024   10.512  555.263   10.529 -10.23810 14.87825 
1 1 1   -8   10   40 o  512.425   7.0781  710.141   19.566  730.128   28.668  692.714   26.770  519.135   10.220  505.715   9.7960 13.42032 14.15627 
1 1 1   -8   10   41 o  299.419   5.8969  242.897   9.5317  236.832   13.673  248.631   13.295  295.764   8.5550  303.073   8.1181 -7.308899 11.79370 
1 1 1   -8   10   42 o  483.262   6.8481  632.932   17.882  628.667   25.374  637.140   25.204  481.635   9.7495  484.889   9.6193 -3.254425 13.69611 
1 1 1   -8   10   43 o  361.211   8.2531  354.402   16.101  354.054   23.124  354.730   22.433  361.009   11.854  361.414   11.487 -0.4043579 16.50616 
1 1 1   -8   10   44 o  199.755   8.6247  108.261   9.2629  111.036   13.884  106.036   12.435  201.998   12.720  197.512   11.651 4.486908 17.24932 
1 1 1   -8   10   45 o  474.422   8.1972  610.931   20.018  607.769   24.764  616.892   34.001  473.147   9.6859  475.698   13.227 -2.551575 16.39449 
1 1 1   -8   10   46 o  364.326   5.9676  360.379   11.742  354.154   16.795  366.331   16.422  361.215   8.6046  367.437   8.2709 -6.221619 11.93514 
1 1 1   -8   10   47 o   77.115   13.350   16.580   5.5775   22.570   8.4595   11.974   7.4183   88.900   18.222   65.331   19.516 23.56909 26.70069 
1 1 1   -8   10   48 o  200.007   9.6323  109.490   10.366  110.811   15.421  108.401   14.002  200.986   14.199  199.027   13.020 1.958725 19.26458 
1 1 1   -8   10   49 o  413.121   9.1822  467.118   20.438  481.081   30.260  455.405   27.714  418.595   13.378  407.647   12.581 10.94843 18.36448 
1 1 1   -8   10   50 o  182.390   10.130   91.993   9.9294   88.401   14.651   95.045   13.504  178.870   15.158  185.910   13.442 -7.040268 20.25963 
1 1 1   -8   10   51 o  166.664   9.3644   79.786   7.1187   70.203   14.224   82.989   8.2226  158.801   16.576  174.527   8.7188 -15.72684 18.72884 
1 1 1   -8   10   52 o   63.196   21.227   10.958   8.5588   10.958   8.5588   0.0000   0.0000   63.196   21.227  ?   ?       ?      ? 
1 1 1   -8   10   53 o  142.209   7.7237   54.082   5.8527   67.816   9.1437   44.550   7.6176  157.126   10.769  127.292   11.075 29.83437 15.44749 
1 1 1   -8   10   54 o  266.608   5.8533  194.731   8.4011  186.587   12.262  201.937   11.534  261.190   8.6877  272.026   7.8464 -10.83633 11.70652 
1 1 1   -8   10   55 o   82.128   12.262   18.790   5.3657   26.867   8.4074   13.239   6.9696   97.441   15.967   66.814   18.613 30.62685 24.52322 
1 1 1   -8   10   56 o  224.721   6.0345  136.479   7.2592  153.351   11.245  124.423   9.5052  236.347   8.8047  213.095   8.2547 23.25195 12.06907 
1 1 1   -8   10   57 o  202.053   6.3666  113.018   6.8743  106.850   10.353  117.881   9.1934  196.787   9.7360  207.320   8.2063 -10.53337 12.73319 
1 1 1   -8   10   58 o   46.565   11.622  -1.8228   5.3944 -21.7566   8.2043   13.358   7.1597   26.751   13.395   66.379   18.997 -39.62814 23.24465 
1 1 1   -8   10   59 o  157.427   7.7330   70.820   6.4056   56.033   9.4159   83.558   8.7396  141.064   12.353  173.791   9.3063 -32.72675 15.46590 
1 1 1   -8   10   60 o   49.370   13.789   4.1424   5.5505   9.0689   8.4833   0.4548   7.3396   57.341   20.980   41.399   17.898 15.94196 27.57708 
1 1 1   -8   10   61 o   97.770   12.099   30.115   5.9384   20.904   9.0324   37.128   7.8812   81.221   20.561  114.320   12.758 -33.09892 24.19745 
1 1 1   -8   10   62 o  273.396   6.1340  205.678   9.0069  221.645   13.676  193.447   11.969  282.458   8.9601  264.335   8.3798 18.12323 12.26799 
1 1 1   -8   10   63 o   66.347   14.927   14.571   6.0202   14.102   8.8889   14.968   8.1826   65.325   21.625   67.370   20.581 -2.045639 29.85362 
1 1 1   -8   10   64 o   40.335   13.348  -5.4296   6.9215 -10.0473   12.381  -3.3303   8.3478   42.001   19.975   38.668   17.712 3.332619 26.69642 
1 1 1   -8   10   65 o   33.586   11.737 -16.5537   7.0021 -17.0248   12.328 -16.3294   8.5077   37.673   18.399   29.499   14.579 8.173576 23.47483 
1 1 1   -8   10   66 o   57.475   15.752   11.497   7.1694   14.314   9.4142   7.6081   11.062   62.219   22.189   52.731   22.364 9.488342 31.50416 
1 1 1   -8   10   67 o   99.784   12.773   32.432   6.6215   43.247   9.8557   23.535   8.9395  117.780   15.486   81.789   20.318 35.99074 25.54646 
1 1 1   -8   11    1 o  800.617   13.928  1739.20   60.222  1705.41   83.467  1775.90   86.973  792.551   19.490  808.682   19.903 -16.13055 27.85633 
1 1 1   -8   11    2 o  446.564   8.5465  538.817   20.597  520.946   28.280  559.009   30.060  438.702   11.929  454.425   12.242 -15.72235 17.09293 
1 1 1   -8   11    3 f  781.773   13.640  1659.13   57.620  1649.78   81.061  1668.69   81.921  779.554   19.243  783.992   19.337 -4.438782 27.28061 
1 1 1   -8   11    4 f  863.235   14.958  2021.75   69.684  1963.51   95.654  2087.61  101.721  850.088   20.823  876.382   21.480 -26.29456 29.91649 
1 1 1   -8   11    5 o  379.970   7.7321  390.318   15.866  401.126   22.939  380.405   21.968  385.002   11.026  374.937   10.843 10.06586 15.46414 
1 1 1   -8   11    6 o  889.036   15.393  2148.72   73.942  2128.83  103.602  2169.37  105.564  884.870   21.667  893.203   21.872 -8.332886 30.78682 
1 1 1   -8   11    7 o  672.799   11.961  1227.70   43.482  1236.49   61.892  1219.14   61.102  675.167   16.964  670.431   16.866 4.736267 23.92163 
1 1 1   -8   11    9 o  230.370   9.6511  143.581   12.014   0.0000   0.0000  143.581   12.014  ?   ?   230.370   9.6511      ?      ? 
1 1 1   -8   11   10 o  356.468   7.6492  343.407   14.722  331.306   20.327  356.757   21.351  349.877   10.752  363.059   10.883 -13.18228 15.29842 
1 1 1   -8   11   11 o  153.984   7.5307   64.614   6.2224   57.793   8.9935   70.878   8.6181  146.115   11.391  161.852   9.8539 -15.73723 15.06134 
1 1 1   -8   11   12 o  895.453   10.968  2171.22   53.024  2117.64   73.129  2230.62   76.994  883.855   15.312  907.050   15.709 -23.19507 21.93629 
1 1 1   -8   11   13 o  636.419   8.0717  1096.11   27.756  1084.93   38.958  1107.63   39.555  633.128   11.387  639.711   11.443 -6.583191 16.14332 
1 1 1   -8   11   14 o  335.628   5.2795  304.431   9.5727  295.861   13.381  313.415   13.700  330.791   7.4862  340.465   7.4466 -9.673340 10.55908 
1 1 1   -8   11   15 o  524.231   6.9213  743.358   19.605  734.398   27.559  752.538   27.896  521.033   9.7885  527.429   9.7878 -6.395935 13.84259 
1 1 1   -8   11   16 o  614.391   7.8557  1021.35   26.079  1012.07   36.647  1030.88   37.121  611.564   11.089  617.217   11.130 -5.653442 15.71145 
1 1 1   -8   11   17 o  369.022   5.5191  368.188   11.002  368.069   15.766  368.301   15.359  368.961   7.9079  369.083   7.7011 -0.1229553 11.03815 
1 1 1   -8   11   18 o  381.771   5.6216  394.103   11.595  391.039   16.515  397.082   16.283  380.304   8.0365  383.237   7.8627 -2.932922 11.24313 
1 1 1   -8   11   19 o  387.525   5.6565  405.641   11.832  413.557   17.210  398.546   16.292  391.102   8.1435  383.948   7.8528 7.154053 11.31299 
1 1 1   -8   11   20 o  349.506   5.4001  330.266   10.198  326.764   14.472  333.718   14.371  347.664   7.7036  351.348   7.5695 -3.683807 10.80012 
1 1 1   -8   11   21 o  133.495   6.0652   47.995   4.3240   49.379   6.6862   46.999   5.6691  135.137   9.1562  131.853   7.9567 3.284546 12.13037 
1 1 1   -8   11   22 o  703.172   8.8274  1337.57   33.540  1325.50   47.180  1349.91   47.690  699.965   12.474  706.378   12.494 -6.413452 17.65483 
1 1 1   -8   11   23 o  616.000   11.147  1026.22   37.104   0.0000   0.0000  1026.22   37.104  ?   ?   616.000   11.147      ?      ? 
1 1 1   -8   11   24 o  910.132   11.125  2241.89   54.701  2265.38   78.330  2219.53   76.423  914.770   15.846  905.493   15.619 9.277527 22.24991 
1 1 1   -8   11   25 o  592.035   7.6707  947.422   24.528  964.055   35.348  931.977   34.063  597.038   10.957  587.032   10.738 10.00543 15.34139 
1 1 1   -8   11   26 o  993.449   12.078  2673.30   64.834  2679.55   92.045  2667.14   91.337  994.596   17.126  992.302   17.034 2.293457 24.15517 
1 1 1   -8   11   27 o  285.947   7.3731  221.023   11.393   0.0000   0.0000  221.023   11.393  ?   ?   285.947   7.3731      ?      ? 
1 1 1   -8   11   28 o  671.579   8.5330  1219.25   30.951  1192.22   42.949  1248.46   44.642  663.846   11.973  679.311   12.161 -15.46497 17.06603 
1 1 1   -8   11   29 o  742.800   9.2913  1491.41   37.262  1449.85   51.420  1537.36   54.073  731.931   13.001  753.670   13.277 -21.73895 18.58264 
1 1 1   -8   11   30 f  499.726   6.8418  675.021   18.469  658.548   25.737  692.512   26.520  493.445   9.6522  506.007   9.6992 -12.56183 13.68353 
1 1 1   -8   11   31 o  292.189   5.5239  230.810   8.7174  221.198   12.246  240.684   12.412  286.020   7.9236  298.358   7.6987 -12.33835 11.04775 
1 1 1   -8   11   32 o  540.163   7.2816  787.778   21.230  757.213   29.192  822.095   30.931  529.068   10.211  551.257   10.384 -22.18939 14.56310 
1 1 1   -8   11   33 o  263.293   5.8935  187.316   8.3700  189.904   12.244  185.045   11.468  264.994   8.5510  261.593   8.1126 3.400299 11.78700 
1 1 1   -8   11   34 o  591.918   7.8261  947.878   25.027  929.223   34.986  967.427   35.816  585.957   11.050  597.878   11.086 -11.92072 15.65227 
1 1 1   -8   11   35 f  807.442   10.077  1761.33   43.875  1689.97   59.751  1844.84   64.635  789.785   14.001  825.098   14.497 -35.31293 20.15382 
1 1 1   -8   11   36 o  164.513   11.608   73.295   10.319   73.295   10.319   0.0000   0.0000  164.513   11.608  ?   ?       ?      ? 
1 1 1   -8   11   37 o  936.909   11.532  2382.10   58.366  2343.65   81.390  2422.81   83.743  929.155   16.211  944.664   16.405 -15.50891 23.06327 
1 1 1   -8   11   38 f  235.398   8.9805  149.971   11.423  149.971   11.423   0.0000   0.0000  235.398   8.9805  ?   ?       ?      ? 
1 1 1   -8   11   39 o  569.480   7.6179  878.154   23.433  852.548   32.586  905.576   33.721  560.893   10.751  578.067   10.795 -17.17358 15.23579 
1 1 1   -8   11   40 o  369.719   6.1615  370.185   12.301  367.664   17.693  372.543   17.115  368.485   8.8855  370.953   8.5384 -2.468170 12.32299 
1 1 1   -8   11   41 o  927.829   13.956  2378.74   67.082  2265.77  110.556  2444.57   84.392  908.512   22.520  947.146   16.489 -38.63397 27.91114 
1 1 1   -8   11   42 o  176.505   9.0287   84.857   8.5730   82.883   12.654   86.532   11.656  174.548   13.416  178.463   12.086 -3.915466 18.05731 
1 1 1   -8   11   43 o  251.900   7.9056  172.356   10.730  172.635   15.788  172.117   14.628  252.038   11.592  251.762   10.752 0.2759094 15.81111 
1 1 1   -8   11   44 o  245.810   6.1217  163.883   8.1189  163.465   11.804  164.259   11.185  245.486   8.8985  246.133   8.4094 -0.6473694 12.24336 
1 1 1   -8   11   45 o   93.066   11.954   24.881   5.7413   20.241   8.6531   28.530   7.6736   83.969   19.452  102.162   13.900 -18.19247 23.90824 
1 1 1   -8   11   46 o  807.543   10.191  1785.43   44.469  1776.06   62.873  1794.80   62.906  805.399   14.446  809.687   14.378 -4.287537 20.38174 
1 1 1   -8   11   47 o  168.458   9.4930   78.627   8.1974   80.836   10.188   74.572   13.805  172.220   10.948  164.697   15.512 7.523666 18.98602 
1 1 1   -8   11   48 o  435.899   9.4136  521.556   22.163  508.333   31.536  534.459   31.153  430.312   13.562  441.486   13.059 -11.17407 18.82711 
1 1 1   -8   11   49 o  171.061   10.164   80.897   9.3301   78.176   13.896   83.131   12.590  168.214   15.288  173.909   13.397 -5.694794 20.32721 
1 1 1   -8   11   50 o  175.197   8.6661   80.824   7.3386   92.027   14.353   76.859   8.5391  182.518   14.553  167.875   9.4132 14.64311 17.33214 
1 1 1   -8   11   51 o  264.443   7.4876  190.091   9.6867  195.270   18.144  188.026   11.456  266.165   12.615  262.721   8.0696 3.444366 14.97523 
1 1 1   -8   11   52 f  381.685   6.1755  397.788   12.724  398.416   18.415  397.213   17.602  381.884   8.9237  381.485   8.5389 0.3994751 12.35097 
1 1 1   -8   11   53 o  248.406   5.8868  166.346   7.8134  182.600   12.184  154.993   10.183  258.450   8.7245  238.361   7.9056 20.08875 11.77351 
1 1 1   -8   11   54 o  143.410   7.7879   56.776   5.9097   56.855   9.3513   56.723   7.6254  143.177   12.087  143.642   9.8241 -0.4643860 15.57575 
1 1 1   -8   11   55 f   73.698   13.301   16.884   5.4554   11.214   8.4506   20.935   7.1433   62.757   21.092   84.639   16.209 -21.88222 26.60103 
1 1 1   -8   11   56 o   53.627   14.125   7.0627   5.4150   7.0019   8.5126   7.1041   7.0180   54.616   20.805   52.637   19.109 1.978199 28.24903 
1 1 1   -8   11   57 o  147.850   7.8205   61.292   6.1628   57.088   9.3183   64.560   8.2164  142.908   12.067  152.792   9.9515 -9.884338 15.64101 
1 1 1   -8   11   58 o   89.814   11.912   23.107   5.6071   28.820   8.7947   19.194   7.2782   99.805   16.307   79.822   17.368 19.98378 23.82350 
1 1 1   -8   11   59 o   78.726   13.282   19.597   5.5742   15.945   8.6409   22.201   7.2950   71.237   21.011   86.216   16.255 -14.97939 26.56477 
1 1 1   -8   11   60 o   57.523   12.918   8.4321   5.6341  -3.7836   8.6362   17.483   7.4339   39.706   18.121   75.340   18.415 -35.63396 25.83632 
1 1 1   -8   11   61 o  125.903   9.2154   44.632   6.2151   51.297   9.5877   39.801   8.1624  133.753   13.266  118.053   12.795 15.69938 18.43074 
1 1 1   -8   11   62 o  195.588   7.1371  108.012   7.4950   99.359   10.914  115.734   10.311  187.625   10.765  203.551   9.3742 -15.92560 14.27422 
1 1 1   -8   11   63 o  104.344   11.749   32.779   6.3737   41.445   9.5819   25.901   8.5360  118.146   15.009   90.542   18.080 27.60484 23.49775 
1 1 1   -8   11   64 o  136.613   12.539   53.661   9.2567   0.0000   0.0000   53.661   9.2567  ?   ?   136.613   12.539      ?      ? 
1 1 1   -8   11   65 o  131.091   11.883   54.309   7.6534   55.495   13.901   53.792   9.1679  127.745   20.138  134.438   12.620 -6.693237 23.76577 
1 1 1   -8   11   66 o  103.888   14.193   36.161   7.6563   36.000   9.9409   36.396   12.004  106.660   17.248  101.116   22.544 5.544212 28.38537 
1 1 1   -8   11   67 o   95.517   15.100   32.741   7.5426   27.382   9.8379   40.383   11.748   85.950   21.292  105.084   21.416 -19.13428 30.19945 
1 1 1   -8   12    1 o  755.808   9.4160  1547.37   38.455  1537.65   54.129  1557.28   54.642  753.414   13.296  758.202   13.337 -4.788452 18.83202 
1 1 1   -8   12    2 o  497.056   6.6802  668.383   17.941  670.486   25.534  666.332   25.214  497.826   9.4920  496.287   9.4022 1.538300 13.36037 
1 1 1   -8   12    3 o  298.677   5.0899  241.211   8.2139  236.417   11.590  246.048   11.643  295.693   7.2535  301.660   7.1426 -5.966705 10.17987 
1 1 1   -8   12    4 f  635.980   8.0963  1094.90   27.824  1089.14   39.237  1100.73   39.461  634.297   11.448  637.664   11.452 -3.366211 16.19262 
1 1 1   -8   12    5 o  554.561   7.2391  832.105   21.690  837.609   30.964  826.803   30.393  556.356   10.300  552.766   10.175 3.589844 14.47816 
1 1 1   -8   12    6 o  318.315   7.5677  273.161   12.987  289.865   19.177  259.009   17.651  327.263   10.844  309.368   10.559 17.89459 15.13547 
1 1 1   -8   12    7 o  871.739   15.202  2066.63   71.606  2052.48  100.743  2081.08  101.797  868.733   21.461  874.745   21.536 -6.012329 30.40320 
1 1 1   -8   12    8 o  511.615   9.7141  708.533   26.837  722.523   38.815  695.721   37.147  516.433   13.909  506.797   13.564 9.635803 19.42820 
1 1 1   -8   12    9 o  212.954   6.1464  118.745   6.5778  112.544   7.8633  133.198   12.004  204.024   7.1324  221.884   10.012 -17.85922 12.29278 
1 1 1   -8   12   10 o  110.649   6.6773   33.084   3.9903   34.224   5.7579   32.030   5.5349  112.480   9.4733  108.817   9.4129 3.663437 13.35466 
1 1 1   -8   12   11 o  251.991   4.9344  171.548   6.7142  174.841   9.7151  168.536   9.2899  254.302   7.0699  249.679   6.8856 4.622574 9.868845 
1 1 1   -8   12   12 o  103.150   10.139   28.786   5.6514   28.786   5.6514   0.0000   0.0000  103.150   10.139  ?   ?       ?      ? 
1 1 1   -8   12   13 o   85.544   8.4092   19.611   3.8371   24.534   5.7201   15.584   5.1740   95.217   11.117   75.872   12.620 19.34537 16.81841 
1 1 1   -8   12   14 o  610.137   7.8330  1006.69   25.812  1024.00   37.221  990.647   35.826  615.179   11.197  605.096   10.957 10.08240 15.66592 
1 1 1   -8   12   15 o  217.853   5.0521  128.128   5.9405  131.693   8.6541  124.951   8.1691  220.712   7.2561  214.993   7.0317 5.719635 10.10426 
1 1 1   -8   12   16 o  195.345   5.1379  103.329   5.3977  101.315   7.9914  105.018   7.3198  193.587   7.6394  197.104   6.8725 -3.516525 10.27574 
1 1 1   -8   12   17 o  290.951   5.2081  228.936   8.1834  225.676   11.725  232.033   11.427  288.927   7.5102  292.974   7.2177 -4.047424 10.41624 
1 1 1   -8   12   18 o  827.024   10.211  1851.75   45.633  1847.64   64.546  1855.85   64.524  826.105   14.459  827.943   14.422 -1.837646 20.42230 
1 1 1   -8   12   19 f  336.482   5.4579  306.077   9.9157  305.846   14.312  306.291   13.751  336.356   7.8744  336.608   7.5597 -0.2522888 10.91585 
1 1 1   -8   12   20 o  453.465   6.3188  555.940   15.481  556.574   22.099  555.329   21.693  453.716   9.0138  453.213   8.8577 0.5022583 12.63753 
1 1 1   -8   12   21 o  994.517   12.106  2678.44   65.058  2670.81   91.938  2686.09   92.075  993.097   17.132  995.937   17.109 -2.839844 24.21214 
1 1 1   -8   12   22 o  104.585   10.125   29.576   5.7220   0.0000   0.0000   29.576   5.7220  ?   ?   104.585   10.125      ?      ? 
1 1 1   -8   12   23 f  664.369   8.4406  1193.97   30.302  1188.52   42.853  1199.42   42.853  662.851   11.964  665.887   11.909 -3.035889 16.88117 
1 1 1   -8   12   24 o  1321.02   15.865  4734.40  113.230  4677.59  158.286  4793.94  162.043  1312.94   22.310  1329.10   22.562 -16.16260 31.73037 
1 1 1   -8   12   25 o  624.638   8.0230  1055.14   27.077  1040.18   37.930  1070.67   38.666  620.128   11.319  629.148   11.373 -9.019165 16.04591 
1 1 1   -8   12   26 o  690.639   8.7330  1290.14   32.586  1272.83   45.583  1308.23   46.601  685.906   12.298  695.371   12.402 -9.465027 17.46591 
1 1 1   -8   12   27 o  333.994   5.5790  301.592   10.068  298.120   14.264  305.039   14.213  332.077   7.9493  335.911   7.8301 -3.834442 11.15802 
1 1 1   -8   12   28 o  852.922   10.531  1969.90   48.533  1954.72   68.263  1985.41   69.015  849.604   14.869  856.240   14.916 -6.635864 21.06131 
1 1 1   -8   12   29 o  475.840   6.6686  611.985   17.141  595.360   23.874  629.672   24.625  469.176   9.4169  482.505   9.4447 -13.32880 13.33714 
1 1 1   -8   12   30 o  569.635   10.616  877.904   32.678   0.0000   0.0000  877.904   32.678  ?   ?   569.635   10.616      ?      ? 
1 1 1   -8   12   31 o  479.227   6.7810  621.230   17.557  617.808   25.003  624.558   24.660  477.920   9.6816  480.534   9.4970 -2.613861 13.56196 
1 1 1   -8   12   32 o  447.832   6.5556  542.486   15.863  541.473   22.528  543.482   22.342  447.415   9.3180  448.250   9.2239 -0.8345337 13.11126 
1 1 1   -8   12   33 o  483.406   6.8847  632.204   17.984  629.492   25.490  634.892   25.376  482.371   9.7790  484.441   9.6938 -2.069977 13.76947 
1 1 1   -8   12   34 o  422.065   6.4619  480.917   14.722  454.443   20.327  510.131   21.352  409.869   9.1776  434.261   9.0993 -24.39182 12.92387 
1 1 1   -8   12   35 o  604.356   7.9975  988.936   26.116  972.503   36.714  1005.77   37.156  599.271   11.338  609.440   11.283 -10.16913 15.99494 
1 1 1   -8   12   36 o  536.809   7.3573  779.679   21.336  759.837   29.771  800.630   30.592  529.792   10.399  543.826   10.410 -14.03430 14.71456 
1 1 1   -8   12   37 o  209.415   6.5724  118.541   7.4274  121.807   10.842  115.654   10.195  212.122   9.4591  206.708   9.1276 5.413284 13.14488 
1 1 1   -8   12   38 o  683.671   8.7862  1267.94   32.459  1259.55   45.900  1276.34   45.907  681.400   12.466  685.943   12.385 -4.542969 17.57237 
1 1 1   -8   12   39 o  446.431   9.1582  539.737   22.093   0.0000   0.0000  539.737   22.093  ?   ?   446.431   9.1582      ?      ? 
1 1 1   -8   12   40 o  665.753   10.529  1208.32   35.804  1198.42   61.523  1213.39   44.027  662.923   17.175  668.583   12.186 -5.659668 21.05893 
1 1 1   -8   12   41 o  224.871   8.4891  137.225   10.225  138.491   15.552  136.261   13.571  225.705   12.752  224.037   11.210 1.667618 16.97813 
1 1 1   -8   12   42 o  310.332   7.9970  261.609   13.387  241.441   18.733  282.658   19.138  298.061   11.631  322.603   10.978 -24.54172 15.99402 
1 1 1   -8   12   43 o  461.112   6.6866  576.271   16.642  592.003   24.226  562.213   22.902  467.032   9.5995  455.191   9.3108 11.84100 13.37316 
1 1 1   -8   12   44 o  410.504   6.3125  457.143   13.996  439.014   19.526  476.302   20.073  402.127   8.9858  418.882   8.8682 -16.75574 12.62492 
1 1 1   -8   12   45 o  654.842   8.5458  1168.98   30.234  1144.67   42.268  1194.46   43.264  647.878   12.074  661.807   12.098 -13.92902 17.09168 
1 1 1   -8   12   46 o   43.263   13.905  -6.1011   6.9068  -8.3834   8.8165  -2.4752   11.113   37.435   17.509   49.091   21.606 -11.65619 27.80990 
1 1 1   -8   12   47 o  437.553   9.5286  524.818   22.504  534.910   32.728  515.766   30.995  441.417   13.721  433.689   13.226 7.727905 19.05724 
1 1 1   -8   12   48 o  253.217   8.8114  176.042   11.996  173.288   17.801  178.333   16.237  251.202   13.114  255.232   11.773 -4.030426 17.62288 
1 1 1   -8   12   49 o   64.679   15.924   8.5184   6.2426   17.653   12.293   5.3442   7.2465   78.693   25.395   50.666   19.221 28.02703 31.84845 
1 1 1   -8   12   50 o   72.158   16.099   13.852   6.4455   17.998   12.339   12.296   7.5586   78.856   25.442   65.459   19.733 13.39676 32.19763 
1 1 1   -8   12   51 o  307.527   5.9257  257.809   9.8221  260.529   14.447  255.470   13.394  308.937   8.6538  306.117   8.0974 2.819641 11.85139 
1 1 1   -8   12   52 o  243.462   6.0670  161.740   7.9312  163.505   11.932  160.344   10.616  244.506   9.0310  242.417   8.1040 2.088867 12.13402 
1 1 1   -8   12   53 o   74.151   13.616   15.526   5.6043   23.033   8.7397   10.283   7.3036   88.117   18.920   60.186   19.587 27.93076 27.23259 
1 1 1   -8   12   54 o  145.084   7.9689   58.115   6.1848   59.195   9.4726   57.313   8.1655  146.025   12.005  144.143   10.483 1.882538 15.93778 
1 1 1   -8   12   55 o   97.931   11.566   28.532   5.7793   23.753   8.8459   32.091   7.6338   88.896   18.992  106.965   13.207 -18.06947 23.13250 
1 1 1   -8   12   56 f  282.879   6.0181  219.503   9.1594  222.928   13.646  216.693   12.357  284.686   8.8702  281.073   8.1357 3.613434 12.03626 
1 1 1   -8   12   57 o  188.179   6.9147   98.232   6.9866   96.265   10.421   99.838   9.4161  186.187   10.358  190.171   9.1631 -3.983398 13.82945 
1 1 1   -8   12   58 o   45.101   13.435   2.1456   5.5637   0.3723   8.7350   3.3561   7.2172   44.647   19.413   45.555   18.578 -0.9082794 26.87034 
1 1 1   -8   12   59 o   53.982   12.861   6.3458   5.6473  -7.0138   8.8886   15.389   7.3130   37.405   17.522   70.559   18.830 -33.15410 25.72123 
1 1 1   -8   12   60 o  101.604   11.144   29.829   5.8794   38.521   9.0129   23.390   7.7573  115.439   14.449   87.769   16.970 27.66929 22.28760 
1 1 1   -8   12   61 o  155.100   8.0794   67.415   6.7218   73.098   10.280   63.170   8.8842  160.494   11.853  149.707   10.982 10.78758 16.15885 
1 1 1   -8   12   62 o  230.565   6.6734  148.771   8.2820  156.035   12.371  142.871   11.149  235.368   9.7270  225.761   9.1389 9.607132 13.34672 
1 1 1   -8   12   63 o  107.187   12.451   36.129   6.8161   28.123   10.005   43.065   9.3115   93.053   20.454  121.321   14.204 -28.26763 24.90197 
1 1 1   -8   12   64 o   66.343   15.079   15.148   6.4397   9.8063   9.6241   19.478   8.6653   56.931   22.011   75.754   20.617 -18.82360 30.15853 
1 1 1   -8   12   65 o   68.151   15.315   17.108   6.5487   12.897   9.8154   20.486   8.7914   60.349   22.480   75.953   20.806 -15.60447 30.63097 
1 1 1   -8   12   66 o   55.465   16.173   9.5394   7.3356   12.081   13.570   8.4901   8.7193   58.828   24.850   52.103   20.708 6.724522 32.34670 
1 1 1   -8   13    2 o  537.193   8.8340  772.975   23.725  803.153   42.982  759.753   28.452  544.451   14.610  529.937   9.9356 14.51392 17.66802 
1 1 1   -8   13    3 o  333.116   8.0227  300.374   14.439  295.946   20.503  304.730   20.337  330.674   11.475  335.559   11.216 -4.884369 16.04550 
1 1 1   -8   13    4 o  286.887   7.5227  222.554   11.656  227.252   16.805  218.198   16.181  289.799   10.731  283.974   10.545 5.824280 15.04530 
1 1 1   -8   13    5 o  208.374   7.8678  117.952   8.8155  112.072   12.928  123.063   12.052  203.482   11.758  213.267   10.458 -9.784821 15.73564 
1 1 1   -8   13    6 o  437.844   8.8780  519.040   21.004  516.892   29.765  521.171   29.645  436.938   12.607  438.750   12.504 -1.812378 17.75593 
1 1 1   -8   13    7 o  395.196   5.8144  421.857   12.405  433.012   18.018  411.805   17.104  400.152   8.3330  390.240   8.1111 9.912872 11.62876 
1 1 1   -8   13    8 f  468.170   6.4469  592.802   16.309  585.904   22.995  599.784   23.134  465.428   9.1433  470.912   9.0913 -5.483795 12.89384 
1 1 1   -8   13   10 o  252.145   5.1298  171.596   6.9810  177.483   10.180  166.370   9.5915  256.219   7.3527  248.072   7.1552 8.146820 10.25955 
1 1 1   -8   13   11 o  1258.42   15.150  4299.87  103.004  4341.17  147.187  4260.23  144.199  1264.31   21.544  1252.53   21.305 11.77112 30.29954 
1 1 1   -8   13   12 o  517.378   6.9313  723.914   19.377  715.671   27.271  732.318   27.538  514.403   9.8110  520.352   9.7936 -5.949036 13.86253 
1 1 1   -8   13   14 o  163.848   5.5972   72.570   4.9478   72.762   7.2069   72.399   6.8050  164.050   8.1299  163.646   7.6954 0.4039459 11.19441 
1 1 1   -8   13   15 o  190.285   5.4646   98.142   5.5906   95.108   8.2604  100.706   7.5942  187.558   8.1504  193.012   7.2814 -5.453491 10.92917 
1 1 1   -8   13   16 o  430.778   6.1709  501.690   14.363  492.526   20.216  511.030   20.411  426.805   8.7656  434.751   8.6882 -7.946289 12.34176 
1 1 1   -8   13   17 o  673.851   8.5533  1228.42   31.145  1225.30   44.091  1231.52   44.000  672.996   12.124  674.706   12.068 -1.710266 17.10664 
1 1 1   -8   13   18 o  1146.94   13.885  3564.46   86.034  3606.72  123.340  3524.40  120.067  1153.54   19.787  1140.35   19.485 13.18518 27.77042 
1 1 1   -8   13   19 o  105.048   8.3655   31.129   4.5308   24.521   7.0885   35.694   5.8914   95.196   13.780  114.900   9.4889 -19.70375 16.73099 
1 1 1   -8   13   20 o  828.179   10.239  1855.89   45.818  1835.46   64.257  1877.02   65.350  823.547   14.439  832.811   14.522 -9.264160 20.47847 
1 1 1   -8   13   21 o  416.197   6.0808  467.982   13.671  452.330   19.066  484.544   19.612  409.038   8.6261  423.355   8.5731 -14.31683 12.16169 
1 1 1   -8   13   22 o  792.312   9.8430  1698.93   42.141  1690.29   59.483  1707.64   59.711  790.288   13.929  794.335   13.911 -4.046875 19.68590 
1 1 1   -8   13   23 o  375.180   8.0342  380.526   16.288   0.0000   0.0000  380.526   16.288  ?   ?   375.180   8.0342      ?      ? 
1 1 1   -8   13   24 o  421.700   6.1692  480.664   14.056  471.600   19.693  490.076   20.069  417.649   8.7259  425.752   8.7232 -8.102814 12.33837 
1 1 1   -8   13   25 o  523.318   7.0837  740.296   20.027  725.656   27.964  755.711   28.695  518.010   9.9903  528.626   10.045 -10.61609 14.16734 
1 1 1   -8   13   26 o  546.245   7.3146  805.828   21.572  778.927   29.748  835.658   31.326  536.650   10.259  555.839   10.430 -19.18945 14.62928 
1 1 1   -8   13   27 o  580.690   7.6602  911.874   24.031  893.707   33.558  930.994   34.428  574.758   10.805  586.622   10.861 -11.86346 15.32031 
1 1 1   -8   13   28 o  630.845   8.1924  1076.75   27.924  1059.84   39.145  1094.27   39.844  625.805   11.576  635.885   11.596 -10.07996 16.38477 
1 1 1   -8   13   29 o  201.568   8.7633  109.875   9.5450   0.0000   0.0000  109.875   9.5450  ?   ?   201.568   8.7633      ?      ? 
1 1 1   -8   13   30 o  691.689   8.8967  1295.17   33.252  1283.37   46.972  1307.02   47.079  688.527   12.625  694.851   12.538 -6.323120 17.79341 
1 1 1   -8   13   31 o  530.210   7.3007  759.302   20.897  729.744   28.793  792.196   30.375  519.331   10.260  541.088   10.389 -21.75647 14.60139 
1 1 1   -8   13   32 o  824.804   10.295  1841.95   45.859  1800.45   63.618  1886.85   66.168  815.158   14.443  834.450   14.674 -19.29236 20.58946 
1 1 1   -8   13   33 o  220.923   6.5990  131.651   7.8521  136.708   11.668  127.466   10.615  224.779   9.6063  217.066   9.0502 7.713425 13.19795 
1 1 1   -8   13   34 f  254.243   6.3029  175.159   8.6444  164.500   12.286  185.610   12.165  246.559   9.2212  261.928   8.5951 -15.36900 12.60584 
1 1 1   -8   13   35 o  317.586   6.1064  272.623   10.469  256.203   14.581  290.094   15.041  307.719   8.7690  327.454   8.5005 -19.73483 12.21287 
1 1 1   -8   13   36 o  451.745   6.6992  552.546   16.351  541.011   23.105  564.119   23.143  447.013   9.5652  456.478   9.3822 -9.465088 13.39846 
1 1 1   -8   13   37 o  327.555   6.0453  290.465   10.686  290.002   15.511  290.883   14.743  327.290   8.7701  327.819   8.3228 -0.5299072 12.09067 
1 1 1   -8   13   38 o  217.165   6.5223  128.100   7.6260  116.224   10.833  139.769   10.738  207.130   9.6783  227.199   8.7461 -20.06868 13.04469 
1 1 1   -8   13   39 o  167.997   9.8405   78.571   8.7095   65.518   13.138   88.806   11.633  155.109   15.675  180.885   11.902 -25.77608 19.68095 
1 1 1   -8   13   40 o   92.876   14.967   26.382   8.0565   8.3131   12.452   39.392   10.566   65.619   25.123  120.133   16.276 -54.51482 29.93445 
1 1 1   -8   13   41 o  724.561   11.399  1405.62   41.271  1360.52   49.331  1510.81   75.340  707.044   12.912  742.077   18.788 -35.03320 22.79723 
1 1 1   -8   13   42 o  281.533   8.2508  214.874   12.552   0.0000   0.0000  214.874   12.552  ?   ?   281.533   8.2508      ?      ? 
1 1 1   -8   13   43 o  313.377   8.2119  266.407   13.906   0.0000   0.0000  266.407   13.906  ?   ?   313.377   8.2119      ?      ? 
1 1 1   -8   13   44 o  400.460   6.2995  435.788   13.620  426.588   19.540  444.482   18.995  396.297   9.1248  404.624   8.6876 -8.326630 12.59909 
1 1 1   -8   13   45 o  150.686   10.281   59.561   8.0982   52.353   10.030   73.063   13.727  138.323   13.418  163.050   15.580 -24.72740 20.56179 
1 1 1   -8   13   46 o   57.324   16.491   3.3760   8.3085  -2.8333   12.234   8.6914   11.319   51.134   22.580   63.514   24.039 -12.37976 32.98112 
1 1 1   -8   13   47 o  270.750   8.8176  201.040   12.896  195.045   18.261  207.005   18.214  266.658   12.673  274.843   12.264 -8.184723 17.63526 
1 1 1   -8   13   48 o  349.305   7.5600  334.384   13.128  331.306   23.715  335.744   15.764  347.339   12.635  351.270   8.3048 -3.931915 15.11993 
1 1 1   -8   13   49 o  177.422   8.8698   85.592   7.5112   88.941   14.669   84.401   8.7446  178.989   15.166  175.855   9.2023 3.133362 17.73966 
1 1 1   -8   13   50 o  307.279   5.9879  258.241   9.9174  243.287   14.241  272.322   13.819  298.491   8.8292  316.068   8.0911 -17.57648 11.97588 
1 1 1   -8   13   51 o  169.599   7.1454   78.601   6.4693   80.727   10.010   77.076   8.4781  171.380   10.808  167.819   9.3491 3.561768 14.29085 
1 1 1   -8   13   52 o  173.853   7.1823   83.119   6.7027   83.001   10.066   83.213   8.9840  173.566   10.733  174.140   9.5473 -0.5740204 14.36460 
1 1 1   -8   13   53 o  168.405   7.1346   75.748   6.3900   92.689   10.185   64.752   8.2057  183.407   10.277  153.403   9.8991 30.00453 14.26926 
1 1 1   -8   13   54 o  262.506   5.9748  187.573   8.4031  199.805   12.899  178.555   11.076  269.692   8.8514  255.320   8.0278 14.37154 11.94960 
1 1 1   -8   13   55 o  292.588   6.0119  232.889   9.4196  250.935   14.515  219.758   12.381  302.068   8.8922  283.108   8.0931 18.95999 12.02377 
1 1 1   -8   13   56 o   53.743   14.065   7.2210   5.5820   3.4333   8.5831   9.9971   7.3482   48.728   20.110   58.757   19.669 -10.02884 28.12990 
1 1 1   -8   13   57 o  184.960   7.0077   94.978   6.9493   94.833   10.490   95.091   9.2771  184.522   10.521  185.399   9.2601 -0.8773804 14.01545 
1 1 1   -8   13   58 o  118.154   9.8391   39.528   6.1945   42.156   9.7104   37.726   8.0437  120.982   14.853  115.326   12.908 5.656029 19.67813 
1 1 1   -8   13   59 o   69.205   14.605   15.177   5.8321   14.064   9.3539   15.886   7.4597   67.021   22.183   71.390   19.002 -4.369064 29.20915 
1 1 1   -8   13   60 o  185.188   7.2755   97.335   7.1537   87.720   10.822  104.796   9.5334  176.230   11.365  194.146   9.0872 -17.91637 14.55104 
1 1 1   -8   13   61 o  171.707   7.7444   83.559   7.1323   85.524   10.805   82.043   9.4944  173.011   11.558  170.402   10.311 2.609375 15.48887 
1 1 1   -8   13   62 o   76.560   15.226   19.470   6.5342   21.231   9.8034   18.063   8.7650   79.323   22.067   73.798   20.984 5.524773 30.45130 
1 1 1   -8   13   63 o  108.946   12.045   36.640   6.8376   33.981   10.181   38.824   9.2285  103.426   18.914  114.465   14.920 -11.03881 24.09047 
1 1 1   -8   13   64 o   36.217   11.978  -6.7132   6.2238 -16.4627   9.2313   1.4117   8.4272   30.333   15.026   42.102   18.658 -11.76901 23.95638 
1 1 1   -8   13   65 o   55.221   14.718   8.5336   6.2919   15.950   9.4954   2.7288   8.4009   66.152   22.358   44.290   19.148 21.86191 29.43628 
1 1 1   -8   14    1 o  343.966   8.3486  320.250   15.505  303.829   21.840  336.937   22.015  335.062   12.062  352.870   11.546 -17.80838 16.69728 
1 1 1   -8   14    2 o  647.489   11.846  1135.99   41.435  1149.32   59.478  1123.42   57.757  651.160   16.904  643.818   16.602 7.342041 23.69273 
1 1 1   -8   14    3 o  257.138   6.6783  182.101   8.7015  188.748   10.706  169.167   14.935  264.225   7.4986  250.051   11.053 14.17372 13.35664 
1 1 1   -8   14    6 o  544.125   7.2227  800.771   21.233  804.153   30.353  797.529   29.712  545.245   10.302  543.005   10.126 2.239685 14.44538 
1 1 1   -8   14    8 o  347.766   5.5488  326.790   10.424  317.674   14.550  336.404   14.942  342.785   7.8554  352.746   7.8390 -9.960938 11.09762 
1 1 1   -8   14    9 o  415.574   6.0828  466.974   13.658  466.562   19.475  467.371   19.159  415.391   8.6761  415.757   8.5280 -0.3654480 12.16558 
1 1 1   -8   14   10 f  320.708   7.6090  278.057   13.186   0.0000   0.0000  278.057   13.186  ?   ?   320.708   7.6090      ?      ? 
1 1 1   -8   14   11 o  170.364   5.9150   78.476   5.4448   78.212   7.7446   78.733   7.6563  170.080   8.4267  170.648   8.3029 -0.5679016 11.82993 
1 1 1   -8   14   12 o  166.664   5.8041   74.394   5.1915   80.973   7.9228   69.443   6.8725  173.058   8.4723  160.270   7.9354 12.78792 11.60822 
1 1 1   -8   14   13 o  474.079   9.2948  607.719   23.811   0.0000   0.0000  607.719   23.811  ?   ?   474.079   9.2948      ?      ? 
1 1 1   -8   14   14 o  375.313   5.8051  380.150   11.763  361.438   16.265  400.669   17.032  365.646   8.2319  384.980   8.1873 -19.33411 11.61019 
1 1 1   -8   14   15 o  757.996   9.4916  1553.94   38.865  1526.39   54.162  1583.18   55.803  751.081   13.345  764.911   13.501 -13.82959 18.98311 
1 1 1   -8   14   16 o  1253.24   15.084  4257.35  102.129  4202.60  142.578  4315.05  146.359  1244.99   21.193  1261.48   21.471 -16.48779 30.16879 
1 1 1   -8   14   17 o  814.289   10.096  1794.22   44.424  1780.70   62.516  1808.02   63.139  811.191   14.262  817.388   14.295 -6.196777 20.19276 
1 1 1   -8   14   19 o  578.883   10.735  906.289   33.579   0.0000   0.0000  906.289   33.579  ?   ?   578.883   10.735      ?      ? 
1 1 1   -8   14   20 o  420.521   6.1677  477.752   13.999  485.116   20.354  471.142   19.285  423.588   8.8926  417.454   8.5490 6.134735 12.33543 
1 1 1   -8   14   21 o  398.688   6.0175  429.641   12.957  432.584   18.653  426.897   18.013  400.004   8.6298  397.373   8.3886 2.630493 12.03500 
1 1 1   -8   14   22 o  913.415   11.226  2258.74   55.399  2230.25   77.536  2288.45   79.181  907.541   15.811  919.289   15.940 -11.74829 22.45105 
1 1 1   -8   14   23 o  949.242   11.626  2440.34   59.633  2422.32   83.780  2458.86   84.898  945.695   16.395  952.788   16.490 -7.092957 23.25281 
1 1 1   -8   14   25 o  753.053   9.4807  1535.20   38.579  1535.75   54.725  1534.66   54.394  753.182   13.446  752.924   13.369 0.2582397 18.96140 
1 1 1   -8   14   26 f  658.181   8.4977  1171.56   30.209  1143.29   41.946  1202.03   43.542  649.945   11.943  666.418   12.091 -16.47333 16.99537 
1 1 1   -8   14   27 o  214.981   6.3347  125.403   7.3343  117.534   10.583  132.674   10.174  208.460   9.3950  221.501   8.4999 -13.04112 12.66940 
1 1 1   -8   14   28 o  902.122   11.146  2204.42   54.316  2167.00   75.720  2244.09   77.959  894.255   15.670  909.989   15.854 -15.73474 22.29104 
1 1 1   -8   14   29 o  1074.77   13.102  3132.74   76.046  3067.70  105.390  3203.38  109.837  1063.19   18.344  1086.35   18.711 -23.15955 26.20323 
1 1 1   -8   14   30 o  632.886   8.3053  1084.27   28.401  1083.15   40.426  1085.36   39.908  632.555   11.827  633.216   11.663 -0.6611328 16.61053 
1 1 1   -8   14   31 o  554.423   7.5948  829.555   22.718  790.552   31.092  874.229   33.276  540.489   10.646  568.358   10.835 -27.86877 15.18955 
1 1 1   -8   14   32 o  886.292   10.999  2129.92   52.660  2087.59   73.314  2175.04   75.687  877.221   15.466  895.363   15.644 -18.14215 21.99845 
1 1 1   -8   14   33 o  391.895   6.4102  415.615   13.567  398.042   19.111  433.471   19.264  383.532   9.2213  400.258   8.9068 -16.72571 12.82043 
1 1 1   -8   14   34 o  576.591   7.7651  899.584   24.183  872.898   33.595  928.278   34.837  567.728   10.951  585.453   11.012 -17.72479 15.53011 
1 1 1   -8   14   35 o  260.631   6.2833  184.368   8.8250  174.798   12.735  193.208   12.240  254.085   9.2757  267.177   8.4781 -13.09204 12.56651 
1 1 1   -8   14   36 o  302.270   6.0926  247.497   9.9411  243.715   14.325  251.010   13.807  300.026   8.8361  304.514   8.3906 -4.488312 12.18522 
1 1 1   -8   14   37 o  450.154   8.2275  555.915   18.996  529.279   32.021  570.380   23.598  441.447   13.424  458.862   9.5169 -17.41489 16.45491 
1 1 1   -8   14   38 o  621.204   11.497  1051.98   38.583  1048.65   55.120  1055.18   54.025  620.176   16.448  622.233   16.068 -2.056885 22.99347 
1 1 1   -8   14   39 o  194.473   9.6784  104.768   9.9250   93.243   15.318  113.108   13.030  184.908   15.330  204.039   11.818 -19.13078 19.35686 
1 1 1   -8   14   40 o  364.503   6.1937  360.234   12.194  359.076   17.499  361.328   17.001  363.914   8.8986  365.093   8.6177 -1.179535 12.38744 
1 1 1   -8   14   41 o  385.831   6.2678  403.898   13.059  385.801   18.408  422.235   18.530  377.099   9.0337  394.563   8.6909 -17.46475 12.53552 
1 1 1   -8   14   42 o  188.816   7.0023   96.619   7.0777   98.937   10.828   94.889   9.3521  190.717   10.507  186.914   9.2593 3.802612 14.00454 
1 1 1   -8   14   43 o  168.108   7.4419   77.117   6.7237   74.547   9.9447   79.281   9.1255  165.452   11.123  170.765   9.8893 -5.313599 14.88376 
1 1 1   -8   14   44 o  529.611   10.620  769.696   30.384  754.505   42.349  785.811   43.618  524.268   14.949  534.955   15.089 -10.68671 21.24000 
1 1 1   -8   14   45 o   99.852   16.627   29.220   8.8450   25.653   12.353   32.973   12.670   93.403   24.259  106.301   22.745 -12.89819 33.25367 
1 1 1   -8   14   46 o  327.990   8.9012  294.963   15.774  298.874   22.549  291.216   22.073  330.098   12.641  325.882   12.535 4.215332 17.80249 
1 1 1   -8   14   47 o  183.319   14.036   92.635   13.904   0.0000   0.0000   92.635   13.904  ?   ?   183.319   14.036      ?      ? 
1 1 1   -8   14   48 f  146.530   10.086   61.904   7.1029   53.671   13.048   65.371   8.4674  138.456   17.440  154.605   10.135 -16.14915 20.17126 
1 1 1   -8   14   49 o   48.791   13.872   3.6407   5.5245   3.8244   8.6436   3.5139   7.1832   50.634   20.447   46.948   18.752 3.686314 27.74404 
1 1 1   -8   14   50 o  234.124   6.2958  150.123   7.9283  146.434   11.705  153.251   10.777  231.318   9.3645  236.931   8.4176 -5.613113 12.59160 
1 1 1   -8   14   51 f  206.119   6.5427  116.975   7.2212  112.113   10.836  120.859   9.6850  202.027   9.9262  210.211   8.5262 -8.184677 13.08532 
1 1 1   -8   14   52 o   98.856   11.699   29.412   5.7992   22.647   9.0372   34.148   7.5614   86.928   19.695  110.783   12.631 -23.85470 23.39756 
1 1 1   -8   14   53 o  110.844   10.089   34.377   5.9833   36.311   9.2213   32.971   7.8633  113.255   15.068  108.432   13.420 4.822556 20.17767 
1 1 1   -8   14   54 o   64.572   14.223   11.530   5.6189   17.636   8.7197   7.1936   7.3479   75.889   20.693   53.254   19.520 22.63533 28.44695 
1 1 1   -8   14   55 o  253.600   6.1835  178.242   8.4044  165.298   12.411  189.205   11.422  244.680   9.3870  262.521   8.0515 -17.84177 12.36697 
1 1 1   -8   14   56 o   46.841   13.285   1.6360   5.8482  -8.0133   8.8467   9.1260   7.7942   36.608   17.252   57.074   20.208 -20.46606 26.57040 
1 1 1   -8   14   57 o   65.891   14.726   13.461   5.8360   12.668   9.1694   14.001   7.5664   64.570   21.970   67.213   19.615 -2.643135 29.45216 
1 1 1   -8   14   58 o  202.318   6.8696  112.643   7.3933  120.261   11.669  107.535   9.5560  207.556   10.404  197.081   8.9731 10.47490 13.73921 
1 1 1   -8   14   59 o  143.380   8.5486   58.223   6.5182   59.383   10.188   57.420   8.4812  143.978   13.095  142.782   10.992 1.196564 17.09718 
1 1 1   -8   14   60 o  235.367   6.6727  155.875   8.4375  141.523   12.167  169.171   11.711  224.337   10.037  246.397   8.7955 -22.05943 13.34543 
1 1 1   -8   14   61 o  120.657   10.854   44.262   6.8703   35.448   10.148   51.720   9.3352  107.694   17.438  133.621   12.929 -25.92718 21.70810 
1 1 1   -8   14   62 o   67.306   15.938   15.012   6.8253   14.497   9.9699   15.466   9.3635   66.356   22.899   68.255   22.176 -1.899239 31.87668 
1 1 1   -8   14   63 o   90.806   13.917   28.202   6.8434   37.761   10.048   19.931   9.3464  108.283   17.172   73.329   21.906 34.95387 27.83458 
1 1 1   -8   14   64 o   80.864   12.614   22.061   6.6877   2.8758   9.5420   40.583   9.3758   46.459   20.244  115.270   15.052 -68.81052 25.22720 
1 1 1   -8   14   65 o   74.946   17.578   18.323   7.9417   41.599   15.366   9.8404   9.2767   96.148   27.923   53.745   21.360 42.40268 35.15594 
1 1 1   -8   15    1 o  607.096   7.9445  996.889   26.056  1004.24   37.319  989.899   36.396  609.272   11.335  604.920   11.134 4.351624 15.88892 
1 1 1   -8   15    2 o  627.372   8.1532  1064.59   27.637  1050.49   38.695  1079.28   39.485  623.135   11.492  631.609   11.569 -8.473999 16.30650 
1 1 1   -8   15    3 o  871.135   15.192  2055.05   71.515   0.0000   0.0000  2055.05   71.515  ?   ?   871.135   15.192      ?      ? 
1 1 1   -8   15    5 o  721.412   9.1049  1407.85   35.485  1384.83   49.518  1432.16   50.875  715.357   12.810  727.467   12.942 -12.10931 18.20977 
1 1 1   -8   15    6 o  350.979   8.0346  333.033   15.238   0.0000   0.0000  333.033   15.238  ?   ?   350.979   8.0346      ?      ? 
1 1 1   -8   15    7 f  877.830   10.825  2086.52   51.346  2078.61   72.489  2094.49   72.741  876.159   15.311  879.500   15.306 -3.340759 21.64919 
1 1 1   -8   15   10 o  384.882   5.9006  400.519   12.270  397.039   17.460  403.914   17.247  383.228   8.4313  386.536   8.2572 -3.308807 11.80117 
1 1 1   -8   15   12 o  157.626   6.6194   67.495   5.6112   61.727   8.0857   72.854   7.7933  151.092   9.9034  164.159   8.7855 -13.06680 13.23873 
1 1 1   -8   15   15 o  645.716   8.3484  1124.64   29.075  1078.16   39.669  1178.59   42.740  631.352   11.628  660.081   11.982 -28.72882 16.69673 
1 1 1   -8   15   16 o  601.293   7.8586  977.869   25.534  972.114   36.034  983.674   36.188  599.516   11.123  603.071   11.105 -3.555176 15.71729 
1 1 1   -8   15   17 o   72.664   11.867   15.113   4.6109   11.238   6.7087   18.582   6.3480   63.751   18.431   81.577   14.952 -17.82582 23.73322 
1 1 1   -8   15   18 o  184.006   6.1934   92.038   6.1244   83.284   8.8205  100.186   8.5102  175.504   9.3007  192.507   8.1809 -17.00243 12.38673 
1 1 1   -8   15   19 o  713.114   9.0313  1375.95   34.801  1375.13   49.338  1376.76   49.095  712.899   12.808  713.328   12.737 -0.4292603 18.06269 
1 1 1   -8   15   20 o  592.021   7.8050  948.003   24.968  947.164   35.460  948.828   35.161  591.758   11.089  592.284   10.986 -0.5255127 15.60994 
1 1 1   -8   15   21 o  1088.78   13.248  3212.52   77.927  3169.03  108.892  3258.18  111.567  1081.25   18.637  1096.31   18.833 -15.06494 26.49566 
1 1 1   -8   15   22 o  407.443   8.8420  448.887   19.467   0.0000   0.0000  448.887   19.467  ?   ?   407.443   8.8420      ?      ? 
1 1 1   -8   15   23 o  892.580   11.031  2157.11   53.184  2115.91   73.907  2201.35   76.592  883.766   15.476  901.394   15.725 -17.62744 22.06285 
1 1 1   -8   15   25 o  453.366   6.7599  555.695   16.551  563.018   23.877  548.922   22.963  456.234   9.6851  450.499   9.4331 5.734619 13.51977 
1 1 1   -8   15   26 o  860.883   10.747  2006.41   49.970  1959.55   69.398  2056.87   72.010  850.468   15.101  871.299   15.295 -20.83112 21.49323 
1 1 1   -8   15   27 o  658.906   8.5741  1174.24   30.513  1142.64   42.345  1208.36   44.007  649.701   12.061  668.111   12.190 -18.40997 17.14828 
1 1 1   -8   15   28 o  643.166   8.4373  1119.79   29.322  1107.74   41.319  1132.01   41.619  639.680   11.953  646.653   11.911 -6.972290 16.87452 
1 1 1   -8   15   29 o  413.070   9.1541  461.541   20.433   0.0000   0.0000  461.541   20.433  ?   ?   413.070   9.1541      ?      ? 
1 1 1   -8   15   30 o  545.513   7.5018  805.480   22.113  797.410   31.238  813.586   31.306  542.770   10.651  548.256   10.567 -5.485168 15.00352 
1 1 1   -8   15   31 o  225.698   9.5118  137.856   11.601   0.0000   0.0000  137.856   11.601  ?   ?   225.698   9.5118      ?      ? 
1 1 1   -8   15   32 o  601.976   8.0595  980.341   26.202  947.118   36.332  1016.34   37.823  591.364   11.370  612.588   11.426 -21.22375 16.11905 
1 1 1   -8   15   33 o  504.858   7.1892  690.365   19.609  681.396   27.891  699.131   27.574  501.601   10.290  508.115   10.043 -6.514069 14.37836 
1 1 1   -8   15   34 o  440.691   6.7171  525.977   15.986  525.211   23.008  526.692   22.226  440.362   9.6691  441.020   9.3265 -0.6579590 13.43413 
1 1 1   -8   15   35 o  209.669   8.7842  122.647   9.1105  110.698   16.204  128.170   11.017  201.799   14.860  217.539   9.3717 -15.73959 17.56840 
1 1 1   -8   15   36 o  462.851   9.4523  582.218   23.609  577.027   34.214  586.937   32.618  460.810   13.740  464.892   12.984 -4.082581 18.90466 
1 1 1   -8   15   37 o  447.873   9.3388  545.731   22.586  529.279   32.176  561.712   31.713  441.152   13.498  454.594   12.910 -13.44189 18.67764 
1 1 1   -8   15   38 o  456.079   8.0850  562.807   19.060  557.417   23.670  572.748   32.146  453.338   9.6625  458.821   12.965 -5.483551 16.16996 
1 1 1   -8   15   39 o  255.294   6.2129  176.754   8.5532  162.177   11.985  191.882   12.210  244.536   9.0703  266.052   8.4929 -21.51659 12.42576 
1 1 1   -8   15   40 o  327.276   6.0444  290.600   10.674  288.866   15.485  292.169   14.735  326.310   8.7820  328.241   8.3074 -1.930939 12.08870 
1 1 1   -8   15   41 o  164.497   7.6864   74.825   6.7183   64.763   10.001   83.099   9.0689  154.125   12.009  174.869   9.5974 -20.74434 15.37283 
1 1 1   -8   15   42 o   71.122   16.440   8.4777   7.3724   1.3807   8.7525   25.811   13.678   48.048   20.107   94.195   26.014 -46.14762 32.87904 
1 1 1   -8   15   43 o  502.296   10.271  692.053   27.874  680.180   38.959  704.505   39.896  497.908   14.480  506.684   14.572 -8.775909 20.54277 
1 1 1   -8   15   44 o  277.406   8.9022  210.794   13.342  216.171   18.918  205.473   18.819  280.964   12.460  273.848   12.718 7.116821 17.80438 
1 1 1   -8   15   45 o  292.036   9.0081  233.997   14.211  233.559   19.840  234.459   20.364  291.809   12.582  292.262   12.895 -0.4524536 18.01615 
1 1 1   -8   15   46 o   39.834   13.384 -11.4622   7.3790 -10.4364   9.0835 -13.4527   12.653   36.347   17.234   43.322   20.483 -6.975582 26.76858 
1 1 1   -8   15   47 o   94.523   14.559   25.206   6.5595   27.162   12.999   24.538   7.5978   95.009   24.986   94.037   14.952 0.9720612 29.11829 
1 1 1   -8   15   48 o  164.650   7.7352   74.486   6.8065   74.139   10.408   74.746   8.9974  164.114   11.736  165.185   10.080 -1.071289 15.47048 
1 1 1   -8   15   49 o  262.422   6.2449  189.508   8.7785  175.942   13.008  200.854   11.896  253.505   9.4959  271.340   8.1131 -17.83424 12.48980 
1 1 1   -8   15   50 f  234.021   6.4472  150.464   8.0776  146.829   12.199  153.303   10.779  231.259   9.7618  236.782   8.4247 -5.523483 12.89446 
1 1 1   -8   15   51 o  203.537   6.6407  113.621   7.1976  114.669   11.188  112.881   9.4012  204.060   10.147  203.013   8.5698 1.047134 13.28137 
1 1 1   -8   15   52 o  172.952   7.4657   82.882   6.9128   81.327   10.451   84.092   9.2169  171.221   11.296  174.683   9.7645 -3.462311 14.93132 
1 1 1   -8   15   53 o  115.419   9.8298   37.699   6.0192   36.687   9.3631   38.412   7.8581  113.606   15.252  117.233   12.405 -3.627594 19.65966 
1 1 1   -8   15   54 o  196.978   6.8682  107.767   7.2614  102.128   10.732  112.527   9.8614  191.901   10.349  202.056   9.0319 -10.15440 13.73632 
1 1 1   -8   15   55 o   48.438   13.825   3.5355   5.8856  -2.1973   9.0608   7.7200   7.7411   42.577   19.076   54.298   20.015 -11.72049 27.64975 
1 1 1   -8   15   56 o  219.350   6.7534  135.374   7.8855  115.046   11.524  153.269   10.813  203.042   10.504  235.659   8.4913 -32.61676 13.50671 
1 1 1   -8   15   57 o  116.192   10.281   38.479   6.3320   40.543   10.068   37.128   8.1441  118.130   15.773  114.254   13.191 3.875900 20.56189 
1 1 1   -8   15   58 o  187.190   7.4510   99.199   7.4326   92.117   11.225  104.729   9.9184  180.514   11.508  193.866   9.4679 -13.35211 14.90195 
1 1 1   -8   15   59 o  153.237   8.7776   67.080   7.2066   68.356   10.955   66.106   9.5681  153.981   13.167  152.494   11.611 1.487213 17.55524 
1 1 1   -8   15   60 o   64.271   15.459   13.653   6.4132   12.697   9.8830   14.348   8.4288   62.682   22.689   65.860   21.004 -3.178329 30.91877 
1 1 1   -8   15   62 f  202.878   7.4430  119.515   8.0539  110.358   12.075  126.853   10.810  194.629   11.481  211.126   9.4750 -16.49706 14.88610 
1 1 1   -8   15   63 o  106.978   12.573   37.432   6.9054   31.938   10.346   41.846   9.2733   96.596   20.458  117.361   14.623 -20.76563 25.14640 
1 1 1   -8   15   64 o   71.964   18.027   20.114   8.9512   33.716   14.446   11.637   11.404   86.750   27.480   57.179   23.340 29.57038 36.05463 
1 1 1   -8   16    1 f  336.721   8.0842  306.497   14.709   0.0000   0.0000  306.497   14.709  ?   ?   336.721   8.0842      ?      ? 
1 1 1   -8   16    2 o  762.680   9.5956  1573.79   39.541  1582.55   56.416  1565.34   55.438  764.758   13.652  760.602   13.488 4.155396 19.19124 
1 1 1   -8   16    4 o  730.829   9.2562  1444.99   36.553  1435.84   51.536  1454.27   51.854  728.498   13.092  733.159   13.089 -4.660522 18.51235 
1 1 1   -8   16    5 o  463.818   6.6103  581.566   16.564  584.904   23.700  578.379   23.159  465.116   9.4299  462.520   9.2662 2.595825 13.22066 
1 1 1   -8   16    6 o  154.617   8.9774   64.632   7.5006   0.0000   0.0000   64.632   7.5006  ?   ?   154.617   8.9774      ?      ? 
1 1 1   -8   16    7 o  581.443   7.7268  913.928   24.268  926.237   34.882  902.382   33.785  585.231   11.030  577.656   10.823 7.575195 15.45360 
1 1 1   -8   16    9 o  470.575   6.6748  598.732   16.970  597.725   24.208  599.705   23.796  470.183   9.5280  470.967   9.3505 -0.7842407 13.34966 
1 1 1   -8   16   12 o  185.884   6.2640   93.382   6.2878   94.380   9.0791   92.463   8.7165  186.836   8.9928  184.932   8.7225 1.903992 12.52803 
1 1 1   -8   16   14 o  428.394   6.3509  496.238   14.698  493.967   20.985  498.426   20.594  427.428   9.0856  429.360   8.8762 -1.931824 12.70174 
1 1 1   -8   16   15 f  513.638   7.0900  713.281   19.676  698.419   27.611  728.617   28.046  508.201   10.054  519.074   9.9991 -10.87305 14.18004 
1 1 1   -8   16   16 o  477.372   6.7394  616.171   17.383  617.916   24.787  614.483   24.384  478.034   9.5958  476.709   9.4658 1.324799 13.47889 
1 1 1   -8   16   17 o  848.881   10.542  1948.58   48.317  1898.69   66.704  2003.67   70.083  837.480   14.740  860.282   15.076 -22.80219 21.08416 
1 1 1   -8   16   18 o  504.187   7.0138  687.450   19.109  687.466   27.084  687.434   26.964  504.192   9.9410  504.183   9.8970 0.9552002E-02 14.02761 
1 1 1   -8   16   19 o  1074.67   13.110  3129.65   76.107  3077.00  106.016  3185.64  109.323  1065.37   18.415  1083.97   18.664 -18.59387 26.21974 
1 1 1   -8   16   20 o  106.521   14.649   30.728   8.4319   30.728   8.4319   0.0000   0.0000  106.521   14.649  ?   ?       ?      ? 
1 1 1   -8   16   21 o  667.627   8.6333  1206.39   31.146  1202.17   44.092  1210.60   44.001  666.456   12.243  668.798   12.175 -2.341370 17.26668 
1 1 1   -8   16   22 f  642.906   8.4178  1118.13   29.236  1093.94   40.796  1143.68   41.921  635.762   11.875  650.050   11.934 -14.28784 16.83564 
1 1 1   -8   16   23 o  456.549   9.7227  563.795   23.986  563.795   23.986   0.0000   0.0000  456.549   9.7227  ?   ?       ?      ? 
1 1 1   -8   16   24 o  163.119   8.4655   71.986   7.4603   73.698   10.672   70.350   10.433  165.014   11.969  161.223   11.975 3.791672 16.93097 
1 1 1   -8   16   25 o  430.763   6.7223  502.127   15.641  493.086   22.304  510.876   21.941  426.937   9.6677  434.589   9.3431 -7.651398 13.44463 
1 1 1   -8   16   26 o  335.991   6.3419  305.382   11.509  304.164   16.517  306.532   16.045  335.333   9.1149  336.648   8.8204 -1.315430 12.68390 
1 1 1   -8   16   27 o  518.396   10.453  727.173   29.282  727.173   29.282   0.0000   0.0000  518.396   10.453  ?   ?       ?      ? 
1 1 1   -8   16   28 o  338.774   6.3935  310.481   11.704  309.971   16.522  310.995   16.582  338.495   9.0329  339.053   9.0506 -0.5579834 12.78694 
1 1 1   -8   16   29 o  460.619   6.8971  574.223   17.166  565.868   24.222  582.653   24.331  457.249   9.8033  463.989   9.7044 -6.740265 13.79417 
1 1 1   -8   16   30 o  348.047   6.3956  327.543   12.014  332.420   17.474  323.171   16.545  350.492   9.2261  345.603   8.8596 4.889496 12.79116 
1 1 1   -8   16   31 o  387.443   6.4392  406.354   13.475  391.285   19.016  421.552   19.097  380.216   9.2556  394.670   8.9546 -14.45386 12.87834 
1 1 1   -8   16   32 o  571.703   7.7995  885.620   24.092  868.778   33.825  902.963   34.324  566.183   11.056  577.223   11.004 -11.04010 15.59898 
1 1 1   -8   16   33 o  507.382   7.2433  697.206   19.854  676.346   27.773  719.008   28.393  499.617   10.287  515.146   10.200 -15.52899 14.48651 
1 1 1   -8   16   34 o  251.568   8.8930  169.441   11.935  185.991   18.732  158.131   15.485  261.705   13.246  241.430   11.870 20.27499 17.78609 
1 1 1   -8   16   35 o  194.241   10.281  103.719   10.469   98.041   16.743  107.365   13.415  189.653   16.337  198.830   12.486 -9.177109 20.56239 
1 1 1   -8   16   36 o  177.484   10.700   85.974   9.9419   85.428   16.174   86.306   12.604  176.833   16.926  178.135   13.094 -1.301453 21.39983 
1 1 1   -8   16   37 o  193.056   9.6338  101.105   10.050   0.0000   0.0000  101.105   10.050  ?   ?   193.056   9.6338      ?      ? 
1 1 1   -8   16   38 o  239.480   6.3365  155.736   8.1809  152.655   11.915  158.483   11.252  237.201   9.2961  241.758   8.6133 -4.556824 12.67303 
1 1 1   -8   16   39 o  133.168   9.2084   48.839   6.5249   45.374   9.9312   51.472   8.6552  128.844   14.264  137.492   11.650 -8.647934 18.41687 
1 1 1   -8   16   40 o  189.262   6.9832   97.648   7.0923   94.995   10.593   99.803   9.5481  186.850   10.492  191.674   9.2186 -4.823639 13.96636 
1 1 1   -8   16   41 o  376.669   9.1606  387.654   18.641  389.865   26.126  385.360   26.605  377.814   12.797  375.525   13.111 2.289429 18.32119 
1 1 1   -8   16   42 o  294.408   9.0596  237.103   14.400  235.811   19.933  238.514   20.827  293.641   12.563  295.176   13.057 -1.534943 18.11925 
1 1 1   -8   16   43 o  248.700   9.3272  169.527   12.523  165.293   17.260  174.234   18.197  245.477   13.012  251.924   13.367 -6.447372 18.65441 
1 1 1   -8   16   44 o  374.079   7.9082  374.424   14.575  402.928   27.284  363.042   17.240  382.949   13.185  365.210   8.7361 17.73956 15.81639 
1 1 1   -8   16   45 o  102.555   14.557   34.894   7.6686   46.766   9.7195   15.318   12.481  130.253   13.809   74.856   25.631 55.39655 29.11458 
1 1 1   -8   16   46 o  174.210   9.2683   86.945   7.7981   76.284   14.273   91.481   9.3105  165.421   15.967  182.999   9.4154 -17.57829 18.53660 
1 1 1   -8   16   47 o   57.787   15.645   6.6885   6.3999   9.6599   11.555   5.3734   7.6867   64.329   24.303   51.245   19.710 13.08421 31.29071 
1 1 1   -8   16   48 o  311.870   6.1182  266.232   10.280  258.076   14.989  273.474   14.125  307.198   9.0295  316.541   8.2581 -9.343140 12.23634 
1 1 1   -8   16   49 o  126.290   9.4204   43.390   6.3526   51.838   9.9412   37.560   8.2588  136.393   13.488  116.187   13.154 20.20669 18.84075 
1 1 1   -8   16   50 f  128.395   9.0944   44.623   6.2198   55.277   9.7993   37.435   8.0490  140.863   12.874  115.928   12.849 24.93499 18.18883 
1 1 1   -8   16   51 o  144.525   8.3060   58.924   6.3816   51.268   9.4809   65.265   8.6290  135.371   12.961  153.680   10.391 -18.30858 16.61199 
1 1 1   -8   16   52 o   90.404   12.710   23.754   5.9199   28.473   9.3220   20.565   7.6636   97.763   18.319   83.045   17.623 14.71777 25.41991 
1 1 1   -8   16   53 o  169.723   7.6189   81.255   6.8740   70.049   10.172   90.675   9.3258  158.272   11.893  181.173   9.5259 -22.90099 15.23788 
1 1 1   -8   16   54 o  138.713   9.2232   56.214   6.6420   45.133   10.209   64.348   8.7463  125.430   15.062  151.997   10.649 -26.56718 18.44637 
1 1 1   -8   16   55 f  183.071   7.4227   93.768   7.2418   91.925   11.132   95.120   9.5350  180.997   11.382  185.146   9.5306 -4.149094 14.84549 
1 1 1   -8   16   56 o  364.957   6.4974  369.304   12.797  348.201   18.092  390.438   18.105  354.252   9.4510  375.662   8.9187 -21.41077 12.99478 
1 1 1   -8   16   57 o   60.724   15.073   11.144   6.0970   10.637   9.3678   11.516   8.0306   60.245   22.046   61.203   20.562 -0.9585571 30.14660 
1 1 1   -8   16   58 o  277.291   6.5282  215.515   9.7111  203.559   14.363  225.582   13.180  269.561   9.8609  285.022   8.5574 -15.46100 13.05630 
1 1 1   -8   16   59 o  143.803   9.3447   60.104   7.2220   61.444   10.827   59.029   9.6940  144.740   13.843  142.867   12.557 1.872498 18.68938 
1 1 1   -8   16   60 o  111.225   18.338   38.000   11.021   38.000   11.021   0.0000   0.0000  111.225   18.338  ?   ?       ?      ? 
1 1 1   -8   16   61 o   77.724   14.504   21.821   6.7673   11.465   10.147   30.119   9.0822   59.075   22.664   96.372   18.105 -37.29671 29.00761 
1 1 1   -8   16   62 o  161.345   8.7443   77.315   7.5269   72.145   11.298   81.440   10.093  155.195   13.472  167.494   11.151 -12.29910 17.48868 
1 1 1   -8   16   63 o   84.042   18.817   30.263   9.5109   31.599   14.808   29.324   12.408   83.490   27.922   84.593   25.234 -1.102905 37.63501 
1 1 1   -8   17    2 o  310.954   5.8419  261.354   9.8141  263.506   14.040  259.298   13.724  312.204   8.3222  309.704   8.2006 2.499817 11.68372 
1 1 1   -8   17    3 o  611.144   8.0380  1009.60   26.535  986.807   36.923  1033.94   38.161  604.019   11.312  618.269   11.422 -14.25031 16.07597 
1 1 1   -8   17    5 f  308.290   5.7590  256.750   9.5879  261.962   13.854  251.958   13.283  311.289   8.2361  305.291   8.0517 5.998108 11.51798 
1 1 1   -8   17    6 o  471.432   6.7675  600.955   17.240  600.886   24.468  601.023   24.293  471.404   9.6055  471.461   9.5358 -0.5624390E-01 13.53505 
1 1 1   -8   17    7 o  1060.15   12.942  3044.72   74.130  3005.72  103.646  3085.56  106.068  1053.22   18.211  1067.08   18.395 -13.86401 25.88492 
1 1 1   -8   17    8 o  258.766   5.7538  181.064   8.0293  180.286   11.718  181.754   11.024  258.237   8.3977  259.296   7.8678 -1.058777 11.50751 
1 1 1   -8   17    9 o   77.808   12.176   17.590   5.1423   10.402   7.7125   23.344   6.8999   62.740   20.101   92.875   13.748 -30.13513 24.35270 
1 1 1   -8   17   10 o  320.756   8.2193  278.141   14.246   0.0000   0.0000  278.141   14.246  ?   ?   320.756   8.2193      ?      ? 
1 1 1   -8   17   11 o  1055.35   12.862  3017.95   73.349  3005.64  103.432  3030.40  104.032  1053.19   18.174  1057.52   18.205 -4.324341 25.72413 
1 1 1   -8   17   12 o  732.863   9.3338  1453.12   36.960  1435.46   51.841  1471.39   52.708  728.336   13.172  737.390   13.228 -9.053467 18.66770 
1 1 1   -8   17   13 f  393.561   6.3149  418.710   13.427  406.441   18.860  431.319   19.120  387.714   9.0019  399.408   8.8587 -11.69403 12.62982 
1 1 1   -8   17   14 o  323.312   6.0374  282.605   10.545  274.396   14.851  290.953   14.976  318.574   8.6270  328.049   8.4485 -9.474731 12.07484 
1 1 1   -8   17   15 o  348.285   6.1385  327.892   11.550  317.986   16.204  338.124   16.468  342.937   8.7442  353.633   8.6177 -10.69568 12.27700 
1 1 1   -8   17   16 o  647.706   8.4656  1135.16   29.629  1133.23   42.036  1137.07   41.768  647.153   12.021  648.258   11.924 -1.104248 16.93127 
1 1 1   -8   17   17 o  170.499   10.690   78.641   9.8488   0.0000   0.0000   78.641   9.8488  ?   ?   170.499   10.690      ?      ? 
1 1 1   -8   17   18 o  875.224   10.909  2073.86   51.569  2027.86   71.546  2123.61   74.396  865.149   15.304  885.299   15.552 -20.14929 21.81890 
1 1 1   -8   17   19 o  107.917   11.383   32.484   6.3634   26.437   9.1577   38.129   8.8486   97.176   18.106  118.658   13.800 -21.48194 22.76563 
1 1 1   -8   17   21 o  268.694   9.4945  195.272   13.785  195.272   13.785   0.0000   0.0000  268.694   9.4945  ?   ?       ?      ? 
1 1 1   -8   17   22 o  664.257   12.261  1194.42   44.008   0.0000   0.0000  1194.42   44.008  ?   ?   664.257   12.261      ?      ? 
1 1 1   -8   17   23 o  793.795   10.047  1705.08   43.061  1657.13   59.483  1757.88   62.418  782.103   14.075  805.487   14.341 -23.38416 20.09352 
1 1 1   -8   17   24 o  254.813   6.8146  175.254   9.3648  181.724   13.768  169.684   12.775  259.173   9.8312  250.453   9.4393 8.719543 13.62915 
1 1 1   -8   17   25 o  497.667   7.2511  670.113   19.493  672.023   27.944  668.302   27.207  498.349   10.377  496.985   10.131 1.364166 14.50219 
1 1 1   -8   17   27 f  228.821   9.5291  141.698   11.782   0.0000   0.0000  141.698   11.782  ?   ?   228.821   9.5291      ?      ? 
1 1 1   -8   17   28 f  201.426   7.6886  110.471   8.3103   96.284   11.825  124.318   11.682  188.545   11.606  214.307   10.088 -25.76114 15.37716 
1 1 1   -8   17   29 o  164.209   8.5162   73.528   7.5084   67.221   10.930   79.163   10.332  157.466   12.846  170.952   11.184 -13.48592 17.03241 
1 1 1   -8   17   30 o  202.881   7.3964  111.856   8.0826  103.275   11.560  120.063   11.305  195.218   10.958  210.544   9.9371 -15.32515 14.79285 
1 1 1   -8   17   31 o  154.717   9.2982   66.416   7.5988   55.200   11.350   75.529   10.230  142.523   14.737  166.910   11.343 -24.38698 18.59649 
1 1 1   -8   17   32 o  377.423   9.1427  388.281   18.569  360.360   26.826  413.964   25.728  364.244   13.630  390.602   12.190 -26.35776 18.28531 
1 1 1   -8   17   33 o  526.284   10.428  753.806   29.644  736.261   42.170  770.946   41.680  520.165   15.003  532.403   14.488 -12.23883 20.85631 
1 1 1   -8   17   34 o  335.515   8.8703  304.748   15.854  312.838   24.724  299.099   20.660  339.129   13.492  331.901   11.520 7.227661 17.74059 
1 1 1   -8   17   35 o  358.548   6.3741  348.406   12.345  352.693   17.734  344.375   17.196  360.676   9.0993  356.420   8.9285 4.255951 12.74812 
1 1 1   -8   17   36 o  333.921   6.2322  302.766   11.227  292.707   16.166  312.138   15.605  328.516   9.1067  339.327   8.5104 -10.81110 12.46432 
1 1 1   -8   17   37 o  176.396   7.7064   85.331   7.2802   76.433   10.640   93.162   9.9827  167.586   11.750  185.206   9.9748 -17.62016 15.41281 
1 1 1   -8   17   38 o  240.559   6.5605  157.225   8.4936  156.745   12.578  157.628   11.516  240.163   9.6922  240.955   8.8442 -0.7922668 13.12093 
1 1 1   -8   17   39 o   96.706   15.480   29.591   7.9428   36.797   9.8021   15.813   13.554  115.794   15.666   77.618   26.705 38.17628 30.96029 
1 1 1   -8   17   40 o  159.268   12.312   72.795   10.083   94.302   13.935   49.167   14.607  185.563   13.898  132.974   20.328 52.58946 24.62462 
1 1 1   -8   17   41 o  275.021   9.0274  207.182   13.411  210.698   18.825  203.559   19.110  277.451   12.556  272.591   12.973 4.859833 18.05477 
1 1 1   -8   17   42 o  120.865   12.633   42.533   7.1768   37.995   13.083   44.487   8.5835  114.334   21.974  127.397   12.469 -13.06345 25.26535 
1 1 1   -8   17   43 o   85.104   13.652   20.217   6.1177   27.572   9.6099   15.205   7.9328   97.789   18.870   72.420   19.733 25.36874 27.30349 
1 1 1   -8   17   44 o  282.262   8.1254  216.296   11.479  212.865   13.791  224.031   20.708  279.401   9.1345  285.122   13.441 -5.720764 16.25080 
1 1 1   -8   17   45 o  181.566   9.0836   91.913   8.1224   88.604   14.784   93.344   9.7208  178.391   15.337  184.740   9.7376 -6.349106 18.16727 
1 1 1   -8   17   46 o  453.349   8.4701  566.453   19.258  566.441   34.288  566.458   23.275  451.665   14.049  455.032   9.4660 -3.366669 16.94023 
1 1 1   -8   17   47 o   78.231   13.041   16.194   5.8772   29.085   9.2500   7.4676   7.6108  101.569   16.854   54.893   19.904 46.67594 26.08120 
1 1 1   -8   17   48 o  131.685   9.1966   47.389   6.4821   55.117   10.036   41.858   8.4907  140.672   13.203  122.698   12.806 17.97395 18.39320 
1 1 1   -8   17   49 o   46.879   13.828   2.0964   5.8925  -0.9535   9.0574   4.3346   7.7591   44.655   19.584   49.103   19.528 -4.447941 27.65616 
1 1 1   -8   17   50 o  135.864   9.0216   52.091   6.5302   48.194   9.8606   55.136   8.7153  130.848   13.946  140.881   11.448 -10.03290 18.04316 
1 1 1   -8   17   51 o  271.424   6.1897  201.688   9.0168  209.199   13.667  195.898   11.998  275.653   9.1755  267.194   8.3102 8.458740 12.37934 
1 1 1   -8   17   52 o  225.416   6.6960  140.253   8.1053  141.377   12.177  139.359   10.861  225.957   9.9728  224.876   8.9381 1.080627 13.39200 
1 1 1   -8   17   53 o   71.908   14.440   16.200   5.9058   14.093   8.8882   17.866   7.9026   67.666   21.568   76.150   19.207 -8.484436 28.88070 
1 1 1   -8   17   54 o   70.885   14.733   16.193   6.3119   10.008   9.8216   20.545   8.2383   60.272   22.480   81.498   19.049 -21.22600 29.46549 
1 1 1   -8   17   55 o  258.393   6.5113  185.079   9.0197  184.576   13.618  185.472   12.039  257.665   9.7807  259.120   8.5981 -1.455048 13.02267 
1 1 1   -8   17   56 o   96.773   13.047   28.819   6.5279   29.970   9.9098   27.937   8.6764   97.874   19.423   95.672   17.425 2.202698 26.09343 
1 1 1   -8   17   57 o  114.395   11.155   39.044   6.7661   36.340   10.353   41.060   8.9390  109.802   17.449  118.988   13.903 -9.185249 22.31071 
1 1 1   -8   17   58 o   53.577   14.994   7.5381   6.4126   6.4699   10.002   8.2836   8.3556   53.071   21.783   54.084   20.610 -1.013279 29.98785 
1 1 1   -8   17   59 o  139.653   14.596   57.268   11.015   57.268   11.015   0.0000   0.0000  139.653   14.596  ?   ?       ?      ? 
1 1 1   -8   17   60 o  129.539   10.491   50.734   7.2193   50.144   11.187   51.154   9.4505  127.551   16.231  131.526   13.297 -3.974190 20.98207 
1 1 1   -8   17   61 o   47.002   14.329   2.4706   6.6308   8.9672   10.394  -1.9871   8.6102   54.696   22.300   39.309   17.999 15.38655 28.65704 
1 1 1   -8   17   62 o   79.553   18.892   26.313   9.4122   33.806   15.165   21.617   12.004   86.677   28.224   72.429   25.119 14.24789 37.78321 
1 1 1   -8   18    1 o  468.540   9.7121  593.629   24.589   0.0000   0.0000  593.629   24.589  ?   ?   468.540   9.7121      ?      ? 
1 1 1   -8   18    2 o  708.684   9.1236  1358.82   34.937  1343.58   49.135  1374.41   49.687  704.664   12.904  712.704   12.902 -8.039795 18.24723 
1 1 1   -8   18    7 o  229.688   6.4996  142.148   8.0425  127.367   11.050  158.796   11.727  217.032   9.4224  242.344   8.9554 -25.31216 12.99929 
1 1 1   -8   18    9 o  1003.89   12.318  2730.59   66.816  2740.91   95.086  2720.54   93.909  1005.74   17.496  1002.03   17.344 3.718628 24.63563 
1 1 1   -8   18   10 o  218.488   6.8256  128.963   8.0109  130.286   12.029  127.908   10.739  219.484   10.142  217.492   9.1377 1.991959 13.65128 
1 1 1   -8   18   11 o  1119.58   13.657  3395.74   82.553  3311.33  113.995  3488.81  119.708  1105.02   19.091  1134.15   19.533 -29.12903 27.31308 
1 1 1   -8   18   12 o  793.446   10.015  1704.42   42.935  1688.76   60.344  1720.48   61.103  789.757   14.140  797.135   14.185 -7.377502 20.02916 
1 1 1   -8   18   13 o  355.695   6.3249  342.175   12.152  330.216   17.136  354.275   17.236  349.438   9.0750  361.953   8.8126 -12.51517 12.64978 
1 1 1   -8   18   14 o  243.399   6.6121  160.231   8.6964  159.435   12.299  161.027   12.298  242.794   9.3747  244.005   9.3270 -1.210464 13.22412 
1 1 1   -8   18   15 o  657.669   8.6466  1169.65   30.712  1136.67   42.607  1205.32   44.311  648.033   12.167  667.306   12.289 -19.27289 17.29312 
1 1 1   -8   18   16 o  143.420   9.3044   55.980   7.1652   49.168   10.199   62.619   10.069  134.740   14.008  152.100   12.251 -17.36002 18.60888 
1 1 1   -8   18   17 o  413.806   9.3365  463.127   20.877   0.0000   0.0000  463.127   20.877  ?   ?   413.806   9.3365      ?      ? 
1 1 1   -8   18   19 o  706.565   9.2038  1346.53   35.050  1282.18   47.536  1423.20   51.887  688.165   12.783  724.966   13.245 -36.80170 18.40761 
1 1 1   -8   18   20 o  355.086   6.5884  341.005   12.635  326.472   17.737  355.977   18.004  347.401   9.4487  362.772   9.1841 -15.37097 13.17670 
1 1 1   -8   18   21 o  212.818   10.808  122.566   12.429  122.566   12.429   0.0000   0.0000  212.818   10.808  ?   ?       ?      ? 
1 1 1   -8   18   22 f  265.074   7.0214  189.437   10.024  197.943   14.909  182.418   13.543  270.477   10.201  259.672   9.6515 10.80450 14.04288 
1 1 1   -8   18   23 o  502.802   10.286  684.144   27.947   0.0000   0.0000  684.144   27.947  ?   ?   502.802   10.286      ?      ? 
1 1 1   -8   18   24 o  234.202   7.2441  148.746   9.0898  146.266   13.721  150.686   12.135  232.429   10.924  235.974   9.5165 -3.544647 14.48819 
1 1 1   -8   18   25 f  347.781   6.5775  326.924   12.346  334.587   17.990  320.102   16.973  351.619   9.4684  343.943   9.1326 7.676300 13.15503 
1 1 1   -8   18   26 o  220.167   7.2174  130.298   8.5541  116.772   11.585  146.512   12.684  207.687   10.323  232.646   10.090 -24.95958 14.43475 
1 1 1   -8   18   27 o  312.351   6.5507  264.134   11.054  261.401   15.741  266.794   15.528  310.750   9.3739  313.953   9.1529 -3.202637 13.10141 
1 1 1   -8   18   28 o  394.864   9.2441  422.174   19.724   0.0000   0.0000  422.174   19.724  ?   ?   394.864   9.2441      ?      ? 
1 1 1   -8   18   29 o  359.412   8.9772  349.769   17.435   0.0000   0.0000  349.769   17.435  ?   ?   359.412   8.9772      ?      ? 
1 1 1   -8   18   30 f  467.138   9.8883  593.353   24.916  584.234   36.183  601.576   34.360  463.635   14.442  470.640   13.510 -7.004822 19.77669 
1 1 1   -8   18   31 o  176.873   11.742   86.925   10.767   78.919   17.475   91.824   13.669  169.941   19.030  183.805   13.763 -13.86436 23.48489 
1 1 1   -8   18   32 o  369.530   9.2283  369.232   18.273  386.261   27.957  356.531   24.143  376.806   13.731  362.255   12.334 14.55142 18.45662 
1 1 1   -8   18   33 o  277.986   9.1011  209.500   13.671   0.0000   0.0000  209.500   13.671  ?   ?   277.986   9.1011      ?      ? 
1 1 1   -8   18   34 o  317.217   6.3333  272.939   10.847  270.885   15.633  274.845   15.063  316.040   9.1537  318.393   8.7550 -2.352814 12.66656 
1 1 1   -8   18   35 o  370.344   6.4702  372.465   12.933  363.999   18.619  380.358   17.978  366.229   9.4082  374.458   8.8850 -8.229187 12.94050 
1 1 1   -8   18   36 o  244.681   6.6800  163.277   8.7943  152.397   12.750  173.152   12.146  236.801   9.9638  252.561   8.9001 -15.76060 13.35997 
1 1 1   -8   18   37 o   95.081   17.261   26.313   8.5672   26.777   10.450   25.360   14.961   96.499   20.664   93.663   27.654 2.835884 34.52122 
1 1 1   -8   18   38 o  157.378   11.824   67.980   9.9671   66.779   13.200   69.572   15.202  155.942   15.665  158.813   17.714 -2.871140 23.64708 
1 1 1   -8   18   39 o  299.698   8.9920  245.316   14.551  234.234   20.134  257.432   21.053  292.619   12.733  306.777   12.700 -14.15817 17.98406 
1 1 1   -8   18   40 o  223.709   9.6708  137.465   11.690  138.086   16.555  136.847   16.511  224.216   13.664  223.201   13.690 1.014893 19.34161 
1 1 1   -8   18   41 o  233.341   6.5207  147.738   8.1754  153.523   12.327  143.196   10.923  237.320   9.6126  229.361   8.8134 7.959732 13.04136 
1 1 1   -8   18   42 o   59.521   12.642   1.9962   6.0650   22.428   9.3682 -12.7460   7.9577   87.639   20.197   31.404   15.210 56.23485 25.28337 
1 1 1   -8   18   43 o  319.185   8.0711  282.419   13.112  288.588   16.152  270.496   22.456  325.202   9.1915  313.169   13.270 12.03265 16.14229 
1 1 1   -8   18   44 o  243.015   8.0082  152.502   9.5436  186.104   18.475  140.272   11.146  259.436   13.178  226.594   9.1029 32.84258 16.01649 
1 1 1   -8   18   45 f  240.663   7.9405  158.386   9.3127  161.531   17.514  157.146   10.996  241.397   13.427  239.930   8.4813 1.466934 15.88103 
1 1 1   -8   18   46 f   41.597   13.161  -2.5593   5.9146  -3.2598   9.6377  -2.1361   7.4911   43.814   19.649   39.380   17.515 4.433559 26.32248 
1 1 1   -8   18   47 f  131.499   9.3202   47.673   6.5116   51.066   10.325   45.432   8.3905  135.034   14.150  127.964   12.134 7.069229 18.64040 
1 1 1   -8   18   48 o   94.785   12.289   25.105   6.0733   32.743   9.6763   20.141   7.8013  107.215   16.702   82.356   18.030 24.85886 24.57720 
1 1 1   -8   18   49 o   50.275   13.834   4.7268   5.7072  -0.8327   8.8089   8.7488   7.4925   43.941   19.291   56.608   19.833 -12.66697 27.66728 
1 1 1   -8   18   50 o  212.711   6.8473  126.083   7.7885  112.162   11.415  138.209   10.653  201.226   10.498  224.196   8.7938 -22.97046 13.69451 
1 1 1   -8   18   51 o  202.137   7.0989  114.913   7.6312   97.859   11.211  129.635   10.417  187.405   11.071  216.868   8.8888 -29.46278 14.19787 
1 1 1   -8   18   52 o   61.013   14.980   9.9651   6.1317   15.552   9.4846   5.9535   8.0371   70.556   22.258   51.470   20.054 19.08663 29.95959 
1 1 1   -8   18   53 o   77.875   14.770   18.655   6.2965   23.010   9.8340   15.629   8.1971   85.100   21.405   70.650   20.359 14.44939 29.54071 
1 1 1   -8   18   54 o  229.038   6.8611  145.988   8.3800  144.829   12.898  146.835   11.024  227.712   10.482  230.363   8.8557 -2.651688 13.72215 
1 1 1   -8   18   55 o   85.948   14.355   22.670   6.5181   29.995   10.325   17.817   8.4045   97.287   20.297   74.608   20.304 22.67940 28.70919 
1 1 1   -8   18   56 o  165.931   8.2579   77.408   7.3543   86.655   11.226   70.456   9.7338  174.336   11.917  157.526   11.435 16.81000 16.51576 
1 1 1   -8   18   57 o   78.265   14.962   20.764   6.5302   17.986   9.7393   23.034   8.8017   72.491   22.505   84.038   19.721 -11.54735 29.92360 
1 1 1   -8   18   58 o   71.709   15.644   17.322   7.0458   10.731   10.446   22.824   9.5438   60.279   23.026   83.139   21.183 -22.85954 31.28791 
1 1 1   -8   18   59 o  112.105   11.498   38.650   6.8876   40.245   10.609   37.488   9.0554  113.108   17.358  111.102   15.083 2.006729 22.99596 
1 1 1   -8   18   60 o   54.522   16.826   6.1541   9.0426   11.905   14.895   2.7973   11.380   60.485   25.810   48.560   21.593 11.92452 33.65182 
1 1 1   -8   18   61 o   45.186   14.967  -2.5822   8.9756  -5.6802   14.991  -0.8511   11.206   46.047   21.922   44.326   20.383 1.720295 29.93403 
1 1 1   -8   19    2 o   89.775   13.462   22.512   6.5160   31.740   9.3703   13.871   9.0672  108.237   16.021   71.312   21.639 36.92435 26.92400 
1 1 1   -8   19    3 o  657.282   12.150  1169.12   43.152   0.0000   0.0000  1169.12   43.152  ?   ?   657.282   12.150      ?      ? 
1 1 1   -8   19    4 o  702.269   12.876  1334.93   48.863   0.0000   0.0000  1334.93   48.863  ?   ?   702.269   12.876      ?      ? 
1 1 1   -8   19    6 o  716.819   9.2613  1390.94   35.872  1378.96   50.561  1403.09   50.903  713.709   13.110  719.929   13.085 -6.220337 18.52262 
1 1 1   -8   19    7 o  280.503   6.4487  212.616   9.7696  203.688   13.615  222.092   14.027  274.436   9.1807  286.569   9.0586 -12.13385 12.89740 
1 1 1   -8   19    9 o  890.059   11.089  2144.38   53.290  2089.12   73.613  2205.22   77.244  878.054   15.515  902.065   15.847 -24.01093 22.17723 
1 1 1   -8   19   10 o  585.178   7.9698  926.560   25.196  929.852   36.046  923.415   35.232  586.186   11.380  584.171   11.161 2.014893 15.93967 
1 1 1   -8   19   11 o  501.986   7.2861  681.534   19.760  690.003   28.291  673.466   27.611  505.026   10.367  498.946   10.241 6.080566 14.57210 
1 1 1   -8   19   12 o  368.222   9.3860  366.719   18.676  366.719   18.676   0.0000   0.0000  368.222   9.3860  ?   ?       ?      ? 
1 1 1   -8   19   13 o  1060.78   13.041  3049.15   74.688  2974.38  103.104  3131.71  108.341  1047.16   18.221  1074.40   18.661 -27.23547 26.08161 
1 1 1   -8   19   14 o  336.640   6.6995  306.355   12.181  292.916   17.029  320.438   17.431  329.080   9.5761  344.201   9.3719 -15.12112 13.39904 
1 1 1   -8   19   15 o  311.778   6.7434  262.884   11.339  241.387   15.852  285.407   16.226  298.718   9.8205  324.838   9.2439 -26.12006 13.48671 
1 1 1   -8   19   16 o  842.716   10.636  1923.28   48.410  1883.93   67.218  1965.69   69.779  833.787   14.919  851.645   15.163 -17.85785 21.27167 
1 1 1   -8   19   17 o  374.934   6.8305  380.436   13.833  368.908   19.607  391.861   19.519  369.268   9.8259  380.599   9.4908 -11.33130 13.66099 
1 1 1   -8   19   18 o  367.012   6.8299  364.502   13.540  354.149   19.181  374.786   19.118  361.808   9.8107  372.216   9.5049 -10.40750 13.65989 
1 1 1   -8   19   19 o  493.920   7.4351  659.091   19.828  631.492   27.396  689.450   28.734  483.081   10.495  504.760   10.535 -21.67914 14.87022 
1 1 1   -8   19   20 o  314.860   9.6257  268.233   16.377   0.0000   0.0000  268.233   16.377  ?   ?   314.860   9.6257      ?      ? 
1 1 1   -8   19   21 o  343.260   6.7631  318.873   12.540  318.220   17.959  319.494   17.518  342.910   9.6922  343.610   9.4349 -0.7001648 13.52614 
1 1 1   -8   19   23 o  306.983   9.3645  255.024   15.534   0.0000   0.0000  255.024   15.534  ?   ?   306.983   9.3645      ?      ? 
1 1 1   -8   19   24 o  385.559   9.3660  402.354   19.513   0.0000   0.0000  402.354   19.513  ?   ?   385.559   9.3660      ?      ? 
1 1 1   -8   19   25 o  199.029   7.7723  107.802   8.3188  101.087   12.129  113.766   11.431  193.117   11.623  204.940   10.322 -11.82275 15.54468 
1 1 1   -8   19   26 o  216.289   7.4475  127.075   8.6768  116.027   12.315  137.965   12.227  206.901   11.015  225.676   10.026 -18.77541 14.89498 
1 1 1   -8   19   27 o  175.202   11.027   78.871   9.1561   93.221   18.643   74.310   10.511  184.873   18.662  165.531   11.751 19.34241 22.05357 
1 1 1   -8   19   28 o  239.301   10.579  158.777   13.391  136.081   20.169  176.667   17.907  223.518   16.699  255.084   12.991 -31.56599 21.15729 
1 1 1   -8   19   29 o  196.506   11.574  105.115   12.018  105.811   19.135  104.662   15.444  196.867   17.987  196.145   14.571 0.7217255 23.14878 
1 1 1   -8   19   30 o  375.100   9.4188  382.812   18.995  381.081   28.281  384.234   25.639  374.201   13.986  375.999   12.619 -1.797546 18.83769 
1 1 1   -8   19   31 o  307.450   6.4394  256.155   10.671  257.840   15.687  254.705   14.557  308.354   9.4146  306.546   8.7880 1.807983 12.87883 
1 1 1   -8   19   32 o  242.692   6.7964  159.556   8.8983  163.878   13.028  155.776   12.183  245.747   9.8109  239.637   9.4079 6.110001 13.59273 
1 1 1   -8   19   33 o  530.926   10.467  765.777   30.030   0.0000   0.0000  765.777   30.030  ?   ?   530.926   10.467      ?      ? 
1 1 1   -8   19   34 o   53.415   16.271  -0.4503   8.1467  -1.1240   10.085   0.8153   13.822   48.242   20.917   58.587   24.928 -10.34492 32.54161 
1 1 1   -8   19   35 o  128.169   15.310   46.613   10.185   47.770   13.385   45.023   15.696  131.482   18.839  124.856   24.137 6.625969 30.61921 
1 1 1   -8   19   36 o  277.283   9.3600  208.425   13.935  196.081   18.494  224.640   21.196  267.969   12.772  286.596   13.686 -18.62708 18.71999 
1 1 1   -8   19   37 o   64.935   17.638   7.3831   9.1396   14.063   12.462  -0.3903   13.444   73.566   25.590   56.305   24.282 17.26159 35.27666 
1 1 1   -8   19   38 o  234.394   8.2334  151.949   9.7617  144.932   16.911  155.455   11.955  229.794   13.619  238.995   9.2567 -9.201126 16.46674 
1 1 1   -8   19   39 o   40.878   12.958  -8.1258   6.2870   2.7234   9.5533 -16.4138   8.3499   51.444   21.222   30.312   14.875 21.13125 25.91584 
1 1 1   -8   19   40 o  177.530   7.7493   87.052   7.3543   77.638   10.817   95.143   10.029  168.326   11.892  186.733   9.9391 -18.40631 15.49869 
1 1 1   -8   19   41 o  332.859   6.3842  303.024   11.445  281.729   16.441  323.045   15.941  321.328   9.4686  344.390   8.5661 -23.06238 12.76843 
1 1 1   -8   19   42 o  109.488   14.397   31.076   8.1050   16.333   10.056   58.401   13.691   74.786   22.810  144.191   17.572 -69.40493 28.79348 
1 1 1   -8   19   43 o  232.764   6.7612  148.842   8.4204  143.602   12.705  152.947   11.245  228.870   10.273  236.658   8.7931 -7.787781 13.52237 
1 1 1   -8   19   44 o   99.569   13.933   28.869   6.7331   28.694   12.372   28.943   8.0257   97.243   23.750  101.895   14.576 -4.651230 27.86588 
1 1 1   -8   19   45 o  142.928   9.1176   57.554   6.8974   52.010   10.561   61.678   9.1084  136.377   14.330  149.478   11.277 -13.10071 18.23516 
1 1 1   -8   19   46 o  148.575   8.4608   60.393   6.7223   66.983   10.455   55.749   8.7773  155.226   12.464  141.924   11.445 13.30147 16.92169 
1 1 1   -8   19   47 o  150.163   8.4888   61.664   6.7875   68.809   10.747   56.924   8.7542  157.034   12.666  143.292   11.306 13.74158 16.97766 
1 1 1   -8   19   48 o   60.109   13.553   9.2297   5.9251  -1.6026   8.8619   17.986   7.9678   43.158   19.130   77.060   19.204 -33.90192 27.10605 
1 1 1   -8   19   49 o   52.827   14.252   6.0477   5.9354   0.8650   9.0510   9.9579   7.8618   46.405   19.968   59.249   20.341 -12.84406 28.50411 
1 1 1   -8   19   50 o   45.321   13.615  -0.5512   5.9607   6.6236   9.3436  -5.4750   7.7403   54.743   21.537   35.898   16.660 18.84531 27.22911 
1 1 1   -8   19   51 f  162.793   8.2656   75.142   7.1666   68.881   10.793   80.079   9.5842  156.058   12.799  169.528   10.462 -13.47029 16.53129 
1 1 1   -8   19   52 o  218.106   6.8821  131.736   8.0371  135.298   12.285  129.069   10.627  220.304   10.319  215.909   9.1086 4.395233 13.76424 
1 1 1   -8   19   53 f   52.222   14.664   4.0472   6.3091   11.729   10.091  -0.8820   8.0838   63.068   22.912   41.376   18.309 21.69199 29.32844 
1 1 1   -8   19   54 o  108.485   12.031   33.993   6.7234   46.717   10.631   25.510   8.6799  126.217   15.587   90.752   18.331 35.46463 24.06175 
1 1 1   -8   19   55 o   73.285   15.892   18.062   6.8620   18.140   10.422   18.003   9.1171   73.008   23.363   73.562   21.550 -0.5541382 31.78448 
1 1 1   -8   19   56 f   47.276   14.243   2.8868   6.4836  -0.5587   9.9847   5.3988   8.5256   44.831   20.060   49.721   20.225 -4.890003 28.48621 
1 1 1   -8   19   57 f  111.559   17.321   37.733   10.442   37.733   10.442   0.0000   0.0000  111.559   17.321  ?   ?       ?      ? 
1 1 1   -8   19   58 o   40.124   13.155  -4.4536   6.6926   1.1455   10.458  -8.3374   8.7097   45.906   20.536   34.343   16.448 11.56345 26.31088 
1 1 1   -8   19   59 o   39.580   13.670 -14.1911   9.0286 -12.0180   15.080 -15.4054   11.272   43.638   21.087   35.522   17.400 8.116116 27.33938 
1 1 1   -8   19   60 o  106.982   17.162   48.098   10.089   32.230   16.454   57.658   12.771   81.633   29.312  132.331   17.860 -50.69792 34.32417 
1 1 1   -8   20    2 o  149.374   9.4247   60.431   7.6027   59.828   10.912   61.000   10.598  148.644   13.586  150.105   13.066 -1.460907 18.84941 
1 1 1   -8   20   10 o  452.114   7.0970  552.989   17.338  548.021   24.442  558.020   24.598  450.069   10.050  454.158   10.023 -4.089081 14.19394 
1 1 1   -8   20   11 o  366.528   6.8277  362.934   13.513  350.032   18.685  377.083   19.567  359.710   9.6127  373.347   9.6989 -13.63638 13.65547 
1 1 1   -8   20   12 o  343.495   6.8263  319.204   12.669  312.340   17.881  326.123   17.952  339.783   9.7387  347.207   9.5683 -7.423981 13.65261 
1 1 1   -8   20   13 o  682.260   9.0468  1258.66   33.324  1218.46   45.966  1303.19   48.380  670.807   12.681  693.713   12.906 -22.90546 18.09357 
1 1 1   -8   20   14 o  379.022   6.9491  388.323   14.226  404.330   20.440  373.286   19.811  386.593   9.7846  371.451   9.8702 15.14206 13.89823 
1 1 1   -8   20   15 o  620.883   11.928  1043.64   40.020   0.0000   0.0000  1043.64   40.020  ?   ?   620.883   11.928      ?      ? 
1 1 1   -8   20   17 o  219.226   10.902  130.111   12.914   0.0000   0.0000  130.111   12.914  ?   ?   219.226   10.902      ?      ? 
1 1 1   -8   20   18 o  208.466   8.0464  117.421   9.0521  112.574   12.416  122.921   13.225  203.889   11.270  213.043   11.488 -9.154388 16.09280 
1 1 1   -8   20   19 o  525.300   10.758  747.104   30.536   0.0000   0.0000  747.104   30.536  ?   ?   525.300   10.758      ?      ? 
1 1 1   -8   20   20 o   74.027   16.223   14.097   7.6891   5.7255   10.995   22.110   10.757   59.690   23.401   88.364   22.475 -28.67412 32.44614 
1 1 1   -8   20   21 o  436.387   7.0675  515.707   16.661  508.455   23.745  522.739   23.383  433.352   10.140  439.423   9.8476 -6.071136 14.13494 
1 1 1   -8   20   22 o  226.612   7.7140  138.905   9.4227  142.324   13.891  135.991   12.824  229.172   11.217  224.051   10.592 5.120377 15.42808 
1 1 1   -8   20   23 o  578.658   8.0239  907.718   25.089  897.215   35.429  918.284   35.533  575.292   11.397  582.024   11.298 -6.732361 16.04772 
1 1 1   -8   20   24 o  548.063   7.8199  813.324   23.146  779.180   32.151  850.057   33.347  536.130   11.098  559.997   11.020 -23.86652 15.63988 
1 1 1   -8   20   25 o  176.457   12.775   85.022   10.275   84.685   21.296   85.125   11.731  175.791   22.418  177.123   12.257 -1.332230 25.55009 
1 1 1   -8   20   26 o  341.111   9.8392  317.993   18.034  290.540   26.115  343.018   24.934  326.830   14.787  355.393   12.984 -28.56305 19.67838 
1 1 1   -8   20   27 o  290.492   10.158  232.695   15.706  206.802   23.498  253.604   21.115  275.476   15.785  305.508   12.790 -30.03226 20.31687 
1 1 1   -8   20   28 o  191.017   9.3219   98.790   9.4256   97.018   12.115  101.509   15.004  188.978   11.864  193.056   14.382 -4.077667 18.64379 
1 1 1   -8   20   29 o  215.663   7.3743  126.298   8.5799  125.279   12.467  127.215   11.826  214.806   10.740  216.520   10.108 -1.713562 14.74864 
1 1 1   -8   20   30 o  163.802   8.8183   73.132   7.7895   68.138   11.056   78.053   10.976  158.196   12.933  169.407   11.991 -11.21057 17.63664 
1 1 1   -8   20   31 o  440.670   14.042  529.955   33.438   0.0000   0.0000  529.955   33.438  ?   ?   440.670   14.042      ?      ? 
1 1 1   -8   20   32 o  106.987   16.290   31.427   9.6148   15.755   12.777   51.892   14.600   76.952   25.935  137.022   19.718 -60.07016 32.57950 
1 1 1   -8   20   33 o   83.939   16.726   16.434   9.0753   1.9917   11.926   36.306   13.989   55.955   23.447  111.923   23.859 -55.96793 33.45170 
1 1 1   -8   20   34 f  129.870   14.662   48.008   9.8053   50.270   12.802   44.797   15.251  135.054   17.542  124.686   23.498 10.36816 29.32325 
1 1 1   -8   20   35 o   70.122   18.312   11.362   9.1601   10.358   12.532   12.514   13.422   67.972   25.385   72.273   26.398 -4.300568 36.62341 
1 1 1   -8   20   36 o  186.519   9.0020   95.313   8.4927   95.158   14.889   95.388   10.340  185.962   14.816  187.076   10.229 -1.113266 18.00403 
1 1 1   -8   20   37 o   86.198   14.211   22.083   6.5574   16.561   9.7145   26.706   8.8876   75.764   22.259   96.632   17.672 -20.86810 28.42119 
1 1 1   -8   20   38 o  313.103   6.4499  267.345   10.895  260.703   15.738  273.459   15.098  309.280   9.4170  316.926   8.8163 -7.646027 12.89986 
1 1 1   -8   20   39 o  216.437   7.1472  127.402   8.3199  133.366   12.490  122.644   11.155  220.887   10.464  211.986   9.7384 8.901245 14.29445 
1 1 1   -8   20   40 o  265.521   6.6202  193.156   9.4507  185.385   13.914  199.812   12.877  260.383   9.8891  270.659   8.8043 -10.27594 13.24045 
1 1 1   -8   20   41 o  226.259   8.8223  138.622   10.231  133.216   12.509  149.549   17.783  220.402   10.503  232.117   14.178 -11.71489 17.64460 
1 1 1   -8   20   42 o  235.381   14.543  154.279   18.498   0.0000   0.0000  154.279   18.498  ?   ?   235.381   14.543      ?      ? 
1 1 1   -8   20   43 o   70.945   15.098   15.564   6.8657   4.2275   11.853   21.289   8.4227   57.005   23.588   84.884   18.853 -27.87850 30.19651 
1 1 1   -8   20   44 o  103.166   12.101   31.077   6.3915   28.803   10.058   32.616   8.2776   98.418   19.602  107.914   14.195 -9.496063 24.20168 
1 1 1   -8   20   45 o  170.999   7.9430   81.576   7.2381   76.338   10.972   85.612   9.6309  165.714   12.253  176.283   10.110 -10.56850 15.88591 
1 1 1   -8   20   46 o   75.095   14.934   16.578   6.2699   21.579   9.9059   13.235   8.0986   83.652   21.722   66.538   20.500 17.11423 29.86784 
1 1 1   -8   20   47 o   56.302   15.054   7.4657   6.2342   9.6629   9.5403   5.8283   8.2358   60.470   22.230   52.134   20.304 8.335930 30.10714 
1 1 1   -8   20   48 o  113.872   11.045   36.425   6.6856   41.209   10.664   33.326   8.5816  119.532   16.510  108.213   14.676 11.31887 22.08960 
1 1 1   -8   20   49 o  137.223   9.4351   52.681   6.9081   57.345   10.816   49.467   8.9781  141.922   14.103  132.524   12.537 9.398026 18.87010 
1 1 1   -8   20   50 o  110.005   11.870   34.380   6.7058   47.943   10.584   25.285   8.6674  128.893   15.196   91.116   18.240 37.77779 23.74091 
1 1 1   -8   20   51 f  185.781   7.7005   97.527   7.5979   90.197   11.595  103.043   10.058  178.927   11.993  192.635   9.6624 -13.70828 15.40108 
1 1 1   -8   20   52 f   98.184   12.934   29.451   6.5636   30.899   9.9739   28.345   8.7172   99.768   19.197   96.599   17.337 3.168999 25.86724 
1 1 1   -8   20   53 o   96.111   13.441   31.442   6.8661   13.837   10.261   45.715   9.2393   66.188   23.209  126.033   13.566 -59.84475 26.88286 
1 1 1   -8   20   54 o  115.594   11.246   40.057   6.9431   40.098   10.615   40.026   9.1788  114.737   17.121  116.451   14.587 -1.713837 22.49244 
1 1 1   -8   20   55 o   60.504   16.009   11.088   7.0272   12.805   10.514   9.7008   9.4471   63.339   23.329   57.670   21.929 5.668869 32.01809 
1 1 1   -8   20   56 o   43.371   13.469  -6.6743   6.8675   8.5546   10.175 -19.4180   9.3075   56.640   22.414   30.102   14.942 26.53777 26.93753 
1 1 1   -8   20   57 f  149.496   14.613   79.074   10.403   65.428   17.333   86.757   13.006  130.483   25.498  168.509   14.284 -38.02596 29.22590 
1 1 1   -8   20   58 o   47.024   15.559  -3.7133   9.1056   1.9608   16.029  -6.4167   11.064   53.433   24.499   40.614   19.187 12.81844 31.11862 
1 1 1   -8   20   59 o  133.007   12.050   57.629   8.6560   55.335   12.114   60.023   12.373  130.036   17.240  135.977   16.840 -5.941010 24.09935 
1 1 1   -8   21    1 o  268.926   7.0934  196.297   10.256  173.344   14.489  219.343   14.519  253.099   10.594  284.753   9.4356 -31.65327 14.18689 
1 1 1   -8   21    4 o  230.999   10.903  144.406   13.610  144.406   13.610   0.0000   0.0000  230.999   10.903  ?   ?       ?      ? 
1 1 1   -8   21    8 o  451.683   10.125  552.012   24.713   0.0000   0.0000  552.012   24.713  ?   ?   451.683   10.125      ?      ? 
1 1 1   -8   21   10 o  399.373   7.0934  431.604   15.307  430.944   21.794  432.246   21.502  399.067   10.107  399.679   9.9559 -0.6114807 14.18681 
1 1 1   -8   21   12 f  183.653   8.9320   91.387   8.8545   91.538   12.245   91.220   12.819  183.825   12.328  183.481   12.929 0.3439178 17.86403 
1 1 1   -8   21   13 o  203.739   11.652  112.425   12.828   0.0000   0.0000  112.425   12.828  ?   ?   203.739   11.652      ?      ? 
1 1 1   -8   21   14 o  159.911   14.559   69.356   12.580   0.0000   0.0000   69.356   12.580  ?   ?   159.911   14.559      ?      ? 
1 1 1   -8   21   15 o  394.380   9.7346  420.952   20.745   0.0000   0.0000  420.952   20.745  ?   ?   394.380   9.7346      ?      ? 
1 1 1   -8   21   16 o  447.109   10.061  541.138   24.308   0.0000   0.0000  541.138   24.308  ?   ?   447.109   10.061      ?      ? 
1 1 1   -8   21   18 o  101.929   14.520   29.335   7.7206   30.105   10.965   28.579   10.872  103.308   20.367  100.550   20.700 2.758499 29.03949 
1 1 1   -8   21   19 o  258.379   7.3114  180.908   10.201  179.460   14.664  182.267   14.201  257.363   10.544  259.396   10.131 -2.033081 14.62278 
1 1 1   -8   21   20 o  297.638   6.9269  239.964   11.135  239.729   16.002  240.185   15.504  297.485   9.9546  297.792   9.6351 -0.3073730 13.85383 
1 1 1   -8   21   21 o  622.795   8.5197  1047.96   28.605  992.710   38.868  1113.26   42.252  604.988   11.889  640.602   12.206 -35.61346 17.03935 
1 1 1   -8   21   22 o  591.540   10.319  953.433   30.648  945.045   54.427  957.327   37.086  588.961   17.102  594.119   11.552 -5.157654 20.63771 
1 1 1   -8   21   23 f  519.659   11.030  734.578   30.950  696.396   43.218  774.775   44.344  505.753   15.814  533.565   15.380 -27.81223 22.05969 
1 1 1   -8   21   24 o  307.053   10.197  258.686   16.696  241.441   25.256  272.072   22.252  297.687   15.701  316.419   13.014 -18.73224 20.39330 
1 1 1   -8   21   25 o  523.931   11.093  747.555   31.292  760.586   46.431  736.712   42.356  527.922   16.276  519.939   15.076 7.983215 22.18531 
1 1 1   -8   21   26 o  306.750   6.8827  255.303   11.405  250.630   16.223  259.869   16.038  303.956   9.8770  309.544   9.5881 -5.587952 13.76548 
1 1 1   -8   21   27 o  495.485   7.3653  666.308   19.710  672.717   28.395  660.350   27.380  497.751   10.557  493.219   10.273 4.531860 14.73061 
1 1 1   -8   21   28 o  403.835   8.4194  438.965   17.483  428.780   21.510  458.784   30.007  397.409   10.017  410.261   13.536 -12.85193 16.83883 
1 1 1   -8   21   29 o  252.348   9.7437  172.299   13.209  160.518   17.558  187.658   20.048  242.569   13.395  262.128   14.154 -19.55911 19.48745 
1 1 1   -8   21   30 o  367.442   9.2890  368.349   18.430  388.513   26.452  349.324   25.693  377.254   12.976  357.630   13.295 19.62375 18.57800 
1 1 1   -8   21   31 o  408.982   9.6389  456.306   21.260  442.342   29.003  472.522   31.255  402.336   13.340  415.628   13.917 -13.29211 19.27772 
1 1 1   -8   21   32 o  134.238   13.403   49.140   9.6004   45.653   12.460   54.234   15.060  128.626   17.927  139.851   19.928 -11.22488 26.80530 
1 1 1   -8   21   33 o  121.076   12.375   40.670   7.7663   39.910   12.876   41.105   9.7370  119.789   19.891  122.362   14.726 -2.572815 24.74923 
1 1 1   -8   21   34 o  234.355   9.5108  149.529   12.044   0.0000   0.0000  149.529   12.044  ?   ?   234.355   9.5108      ?      ? 
1 1 1   -8   21   35 o  399.429   6.7641  434.804   14.595  422.445   20.626  447.199   20.656  393.697   9.6954  405.161   9.4347 -11.46417 13.52829 
1 1 1   -8   21   36 o  557.348   10.975  849.242   33.054   0.0000   0.0000  849.242   33.054  ?   ?   557.348   10.975      ?      ? 
1 1 1   -8   21   37 o  141.944   9.7450   56.336   7.3583   48.806   10.894   62.654   9.9788  132.794   15.181  151.093   12.222 -18.29872 19.48991 
1 1 1   -8   21   38 o  235.861   6.8593  152.797   8.6914  136.423   12.442  168.402   12.147  223.283   10.312  248.438   9.0479 -25.15456 13.71861 
1 1 1   -8   21   39 o  140.506   9.5054   54.896   7.1571   52.271   10.675   57.040   9.6466  137.193   14.399  143.818   12.413 -6.624420 19.01071 
1 1 1   -8   21   40 o  177.503   16.530   88.446   15.855   0.0000   0.0000   88.446   15.855  ?   ?   177.503   16.530      ?      ? 
1 1 1   -8   21   41 f  248.724   13.807  172.072   18.557   0.0000   0.0000  172.072   18.557  ?   ?   248.724   13.807      ?      ? 
1 1 1   -8   21   42 f  186.797   8.8722   95.270   8.4586  101.869   14.793   92.064   10.311  190.746   14.352  182.848   10.435 7.897919 17.74439 
1 1 1   -8   21   43 o   93.553   13.846   27.147   6.7065   20.231   10.740   31.567   8.5863   81.229   23.273  105.877   15.008 -24.64773 27.69249 
1 1 1   -8   21   44 o   75.613   15.389   17.442   6.5749   17.298   10.196   17.544   8.6021   75.233   22.973   75.993   20.483 -0.7600937 30.77856 
1 1 1   -8   21   45 o   45.835   14.014   0.2752   6.4112  -3.0422   9.9410   2.6376   8.3890   44.194   19.877   47.477   19.761 -3.282585 28.02830 
1 1 1   -8   21   46 o   73.912   15.571   16.934   6.6804   15.673   10.167   17.891   8.8619   71.610   23.093   76.213   20.895 -4.603668 31.14273 
1 1 1   -8   21   47 o   46.335   14.093  -0.4608   6.4823   5.5288   9.8958  -4.9627   8.5793   53.994   21.852   38.675   17.803 15.31861 28.18643 
1 1 1   -8   21   48 o   69.510   14.757   13.210   6.2580   23.649   10.058   6.6170   7.9935   86.497   21.588   52.523   20.124 33.97380 29.51307 
1 1 1   -8   21   49 o   35.321   11.939  -9.8949   6.1593  -7.9993   9.9399 -11.0765   7.8475   39.191   18.413   31.452   15.202 7.738455 23.87713 
1 1 1   -8   21   50 o  151.597   8.8225   64.288   7.1356   69.777   11.171   60.505   9.2744  156.587   13.202  146.606   11.707 9.980682 17.64502 
1 1 1   -8   21   51 o   55.609   14.885   7.9910   6.4801   1.7491   10.312   12.065   8.3304   48.811   21.158   62.407   20.942 -13.59596 29.76946 
1 1 1   -8   21   52 o  147.726   9.5856   64.073   7.4803   55.366   11.270   70.929   10.001  137.398   15.179  158.055   11.710 -20.65634 19.17112 
1 1 1   -8   21   53 o   77.995   15.229   19.258   6.8863   30.635   10.844   11.569   8.9146   95.714   21.492   60.276   21.582 35.43799 30.45833 
1 1 1   -8   21   54 o  132.637   10.814   52.954   7.5695   46.375   11.467   58.035   10.077  123.703   17.154  141.570   13.173 -17.86629 21.62836 
1 1 1   -8   21   55 o   55.913   16.690  -6.4731   8.1527   25.338   16.853 -16.1914   9.3151   80.231   29.539   31.596   15.545 48.63556 33.37940 
1 1 1   -8   21   56 o  130.220   16.207   61.991   10.370   61.149   17.686   62.432   12.801  121.523   27.566  138.918   17.052 -17.39475 32.41433 
1 1 1   -8   21   57 o  106.974   16.645   49.098   10.372   20.764   17.469   64.527   12.891   70.474   28.841  143.474   16.627 -72.99985 33.29032 
1 1 1   -8   21   58 o   54.793   15.091   7.4872   7.0007   19.843   10.853  -1.3175   9.1615   69.484   23.897   40.102   18.437 29.38160 30.18214 
1 1 1   -8   22    1 o  654.046   8.8588  1155.67   31.254  1103.95   42.675  1215.49   45.900  638.334   12.372  669.759   12.682 -31.42499 17.71750 
1 1 1   -8   22    2 o  544.349   7.8576  802.181   23.105  809.345   33.183  795.440   32.190  546.694   11.233  542.003   10.991 4.690308 15.71525 
1 1 1   -8   22    3 o  623.373   8.5839  1051.93   28.904  1023.03   40.209  1082.81   41.577  614.527   12.109  632.218   12.170 -17.69110 17.16780 
1 1 1   -8   22    8 o  526.445   7.7800  749.676   22.120  726.139   30.687  775.134   31.915  517.856   10.966  535.033   11.039 -17.17767 15.56006 
1 1 1   -8   22    9 o  374.527   9.8351  379.659   19.904   0.0000   0.0000  379.659   19.904  ?   ?   374.527   9.8351      ?      ? 
1 1 1   -8   22   10 o  177.383   9.2954   85.346   8.9004   83.875   12.820   86.715   12.367  175.891   13.488  178.875   12.794 -2.984192 18.59085 
1 1 1   -8   22   11 o  596.352   8.3125  962.646   26.774  936.751   37.151  990.627   38.619  588.024   11.692  604.679   11.819 -16.65564 16.62510 
1 1 1   -8   22   12 o  112.018   14.230   34.769   8.4238   37.322   11.987   32.279   11.841  117.083   18.946  106.953   21.236 10.12925 28.45968 
1 1 1   -8   22   15 o  179.698   9.0250   87.106   8.7259   76.617   11.891   99.347   12.845  168.023   13.096  191.372   12.421 -23.34938 18.05001 
1 1 1   -8   22   16 o  113.395   13.866   37.663   7.9173   21.158   11.313   53.508   11.084   86.459   23.568  140.330   14.617 -53.87045 27.73280 
1 1 1   -8   22   17 o  265.776   10.262  191.399   14.739   0.0000   0.0000  191.399   14.739  ?   ?   265.776   10.262      ?      ? 
1 1 1   -8   22   18 o  519.763   7.6750  732.480   21.553  721.707   30.598  743.088   30.363  515.950   10.975  523.576   10.732 -7.625916 15.35005 
1 1 1   -8   22   19 o  161.190   13.447   56.328   10.328  108.536   21.890   41.379   11.713  199.196   20.337  123.184   17.597 76.01180 26.89310 
1 1 1   -8   22   20 o  387.112   10.696  409.504   22.233  356.757   31.423  462.387   31.463  361.865   16.070  412.358   14.120 -50.49332 21.39195 
1 1 1   -8   22   21 o  397.481   10.314  430.187   22.075  383.784   30.822  479.054   31.630  375.342   15.197  419.620   13.949 -44.27832 20.62831 
1 1 1   -8   22   22 o  599.505   12.021  979.073   38.884  924.099   53.291  1041.67   56.864  581.579   16.957  617.432   17.044 -35.85315 24.04231 
1 1 1   -8   22   23 o  389.405   10.044  411.426   21.134  411.426   21.134   0.0000   0.0000  389.405   10.044  ?   ?       ?      ? 
1 1 1   -8   22   24 o  278.525   9.4894  211.798   14.239  219.775   19.636  202.950   20.679  284.172   12.787  272.878   14.024 11.29391 18.97872 
1 1 1   -8   22   25 o   84.841   18.882   20.163   9.8159   24.167   12.871   14.597   15.176   91.723   25.195   77.958   28.132 13.76484 37.76446 
1 1 1   -8   22   26 o  335.384   9.2304  306.248   16.715  323.649   24.089  290.090   23.213  344.587   12.937  326.181   13.170 18.40543 18.46079 
1 1 1   -8   22   27 o  243.178   9.6922  161.779   12.716  166.396   17.655  156.802   18.329  246.880   13.234  239.477   14.164 7.403351 19.38448 
1 1 1   -8   22   28 o  206.762   10.498  117.320   11.706  120.923   16.219  113.401   16.912  210.189   14.280  203.334   15.392 6.854782 20.99629 
1 1 1   -8   22   29 o  335.100   7.9536  305.736   13.751  306.306   23.192  305.426   17.076  334.937   12.814  335.262   9.4257 -0.3247681 15.90720 
1 1 1   -8   22   30 o  289.415   6.8221  228.185   10.643  210.289   15.081  245.939   15.021  278.013   10.039  300.816   9.2407 -22.80310 13.64425 
1 1 1   -8   22   31 o  137.995   10.207   52.503   7.5682   46.478   10.749   58.424   10.657  129.975   15.305  146.014   13.507 -16.03976 20.41302 
1 1 1   -8   22   32 o  298.600   6.7127  243.136   10.811  226.495   15.312  259.673   15.265  288.315   9.8286  308.885   9.1455 -20.56964 13.42537 
1 1 1   -8   22   33 o  173.420   8.5240   82.173   7.9771   88.139   11.586   76.797   10.999  179.410   11.951  167.430   12.157 11.98045 17.04800 
1 1 1   -8   22   34 o  225.032   7.1748  138.762   8.6861  130.505   12.642  146.146   11.955  218.536   10.705  231.527   9.5554 -12.99046 14.34960 
1 1 1   -8   22   35 o  208.420   7.4638  119.448   8.3557  108.100   12.065  129.909   11.583  198.688   11.237  218.152   9.8262 -19.46477 14.92762 
1 1 1   -8   22   36 o  181.153   8.0126   89.579   7.8226   97.032   11.578   83.320   10.611  188.034   11.395  174.273   11.268 13.76164 16.02513 
1 1 1   -8   22   37 o  226.780   7.0620  141.473   8.6053  132.889   12.610  148.957   11.773  220.120   10.601  233.439   9.3331 -13.31914 14.12407 
1 1 1   -8   22   38 o   50.853   14.693   3.1191   6.5098  -0.1059   9.4800   5.9966   8.9548   47.111   20.354   54.596   21.197 -7.485119 29.38689 
1 1 1   -8   22   39 o  227.393   9.1151  134.683   10.497  120.358   12.535  168.311   19.206  209.101   11.094  245.685   14.466 -36.58426 18.23027 
1 1 1   -8   22   40 o  143.436   14.768   68.717   9.4409   83.280   11.623   40.473   16.186  173.272   12.413  113.600   26.801 59.67209 29.53613 
1 1 1   -8   22   41 o  218.837   8.4103  133.081   9.3850  131.869   16.140  133.700   11.536  217.135   13.756  220.538   9.6798 -3.403458 16.82052 
1 1 1   -8   22   42 o   44.531   13.992  -1.9659   6.7309  -2.9192   10.002  -1.1766   9.1002   44.664   20.025   44.399   19.547 0.2653122 27.98305 
1 1 1   -8   22   43 o  241.751   6.9753  159.227   9.0375  177.592   13.910  145.812   11.889  253.506   10.154  229.995   9.5658 23.51041 13.95053 
1 1 1   -8   22   44 o  184.646   7.7217   93.806   7.6520  101.547   11.670   87.967   10.135  191.096   11.301  178.195   10.525 12.90047 15.44333 
1 1 1   -8   22   45 o  130.827   10.157   48.683   7.1304   48.308   10.695   48.983   9.5667  129.973   15.228  131.682   13.445 -1.709412 20.31378 
1 1 1   -8   22   46 o   99.443   13.208   30.109   6.8510   25.909   10.174   33.593   9.2669   91.037   21.095  107.849   15.901 -16.81160 26.41650 
1 1 1   -8   22   47 o   54.155   15.202   6.4762   6.6027   6.3403   10.001   6.5812   8.7911   54.847   22.048   53.463   20.934 1.383648 30.40350 
1 1 1   -8   22   48 o   80.605   15.293   20.895   6.7738   19.032   10.613   22.176   8.7990   76.762   23.437   84.448   19.651 -7.686279 30.58542 
1 1 1   -8   22   49 o  113.499   12.286   39.539   7.0757   33.764   10.940   43.693   9.2774  103.740   20.242  123.259   13.929 -19.51873 24.57168 
1 1 1   -8   22   50 o  118.042   12.054   42.730   7.2543   36.042   11.019   47.847   9.6375  107.284   19.734  128.800   13.847 -21.51653 24.10783 
1 1 1   -8   22   51 o  159.378   8.9646   71.476   7.6243   85.649   11.971   61.803   9.8894  172.202   12.865  146.553   12.488 25.64886 17.92911 
1 1 1   -8   22   52 o  136.606   10.364   55.803   7.5115   49.852   11.291   60.529   10.061  128.658   16.241  144.554   12.880 -15.89590 20.72822 
1 1 1   -8   22   53 o   97.192   14.694   30.979   7.5677   26.474   11.423   34.502   10.103   87.853   23.573  106.530   17.550 -18.67725 29.38813 
1 1 1   -8   22   54 o  172.948   13.089   97.578   11.387   86.937   19.030  103.513   14.213  159.843   22.032  186.053   14.137 -26.21028 26.17754 
1 1 1   -8   22   55 o   51.568   15.802   2.1309   9.6760 -25.3153   17.496   14.225   11.614   41.097   20.414   62.040   24.125 -20.94278 31.60332 
1 1 1   -8   22   56 o  145.439   11.183   68.432   8.2623   48.134   12.246   85.392   11.194  120.826   18.756  170.052   12.182 -49.22655 22.36505 
1 1 1   -8   23    1 o  177.084   12.763   85.056   12.213   85.056   12.213   0.0000   0.0000  177.084   12.763  ?   ?       ?      ? 
1 1 1   -8   23    2 o  137.244   11.123   51.206   8.2439   53.365   11.687   49.068   11.630  140.139   15.433  134.349   16.020 5.789444 22.24500 
1 1 1   -8   23    3 o  151.015   9.8927   62.081   8.0496   65.297   11.173   58.611   11.607  155.125   13.329  146.905   14.622 8.219986 19.78545 
1 1 1   -8   23    4 f  412.944   9.9923  461.853   22.297   0.0000   0.0000  461.853   22.297  ?   ?   412.944   9.9923      ?      ? 
1 1 1   -8   23    6 o  179.071   12.751   86.995   12.338   86.995   12.338   0.0000   0.0000  179.071   12.751  ?   ?       ?      ? 
1 1 1   -8   23    8 f  116.580   13.092   37.524   7.9906   31.317   11.012   44.425   11.612  105.405   20.068  127.756   16.821 -22.35149 26.18484 
1 1 1   -8   23   10 o  634.267   12.178  1091.26   41.740   0.0000   0.0000  1091.26   41.740  ?   ?   634.267   12.178      ?      ? 
1 1 1   -8   23   11 o  397.035   9.8974  427.050   21.234   0.0000   0.0000  427.050   21.234  ?   ?   397.035   9.8974      ?      ? 
1 1 1   -8   23   12 o  514.920   7.7182  718.531   21.472  702.414   30.070  735.297   30.671  509.028   10.932  520.812   10.898 -11.78372 15.43645 
1 1 1   -8   23   14 o  155.759   14.236   65.947   11.982   0.0000   0.0000   65.947   11.982  ?   ?   155.759   14.236      ?      ? 
1 1 1   -8   23   15 o  372.974   7.1129  376.609   14.326  358.360   19.904  396.222   20.635  363.603   10.130  382.345   9.9875 -18.74280 14.22588 
1 1 1   -8   23   16 o  171.450   15.443   81.162   13.608   79.189   22.960   82.230   16.895  169.399   25.083  173.501   18.021 -4.102173 30.88533 
1 1 1   -8   23   17 o  314.850   17.799  270.946   30.282  270.946   30.282   0.0000   0.0000  314.850   17.799  ?   ?       ?      ? 
1 1 1   -8   23   20 o  349.618   12.898  332.658   24.367  332.658   24.367   0.0000   0.0000  349.618   12.898  ?   ?       ?      ? 
1 1 1   -8   23   21 o  211.642   10.417  123.391   11.788  140.338   16.418  105.360   16.935  226.967   13.387  196.318   15.964 30.64894 20.83391 
1 1 1   -8   23   22 f  252.479   9.5943  173.432   13.075  164.189   18.027  183.694   18.994  245.391   13.595  259.566   13.542 -14.17554 19.18861 
1 1 1   -8   23   23 o  283.531   9.3532  218.424   14.267  210.788   19.159  227.928   21.375  278.085   12.750  288.976   13.688 -10.89111 18.70647 
1 1 1   -8   23   24 o  331.693   9.2093  299.914   16.463  295.045   22.403  305.631   24.273  328.876   12.606  334.509   13.429 -5.632629 18.41868 
1 1 1   -8   23   25 o  518.992   9.1667  741.852   24.736  711.712   40.520  759.756   31.230  509.721   14.711  528.262   10.940 -18.54056 18.33331 
1 1 1   -8   23   26 o  105.189   14.182   31.211   7.8823   35.507   11.297   27.135   11.003  113.406   18.434   96.973   21.557 16.43259 28.36442 
1 1 1   -8   23   27 o   81.492   15.421   18.448   7.5377   7.7930   10.500   29.779   10.827   61.120   23.148  101.865   20.382 -40.74433 30.84280 
1 1 1   -8   23   28 f  191.827   8.3924  100.840   8.6643   95.078   12.591  106.023   11.941  186.494   12.494  197.160   11.208 -10.66644 16.78490 
1 1 1   -8   23   29 o  377.537   9.5277  388.057   19.437   0.0000   0.0000  388.057   19.437  ?   ?   377.537   9.5277      ?      ? 
1 1 1   -8   23   30 o  359.535   9.4012  352.095   18.265   0.0000   0.0000  352.095   18.265  ?   ?   359.535   9.4012      ?      ? 
1 1 1   -8   23   31 o  110.117   13.326   36.221   7.3592   19.928   10.456   52.213   10.359   82.504   22.729  137.730   13.919 -55.22620 26.65205 
1 1 1   -8   23   32 o  131.795   10.908   49.404   7.5404   38.775   11.176   58.285   10.216  117.961   17.533  145.629   12.982 -27.66822 21.81608 
1 1 1   -8   23   33 o   77.648   15.857   17.678   7.0329   16.438   10.327   18.750   9.6040   75.411   23.136   79.885   21.690 -4.474297 31.71319 
1 1 1   -8   23   34 o  285.343   6.7493  222.783   10.379  218.270   15.149  226.775   14.249  282.485   9.9245  288.201   9.1496 -5.716217 13.49853 
1 1 1   -8   23   35 o  162.437   8.6290   72.665   7.5687   74.500   10.957   70.991   10.468  164.361   12.336  160.514   12.068 3.847305 17.25791 
1 1 1   -8   23   36 o   62.755   15.605   10.337   6.6313   7.9745   9.5200   12.564   9.2423   58.751   22.089   66.759   22.049 -8.007553 31.20998 
1 1 1   -8   23   37 o   80.202   14.354   18.033   6.9210   32.022   10.256   6.3373   9.3780  104.684   18.823   55.720   21.676 48.96399 28.70803 
1 1 1   -8   23   38 o  104.822   15.684   34.323   8.3404   37.813   10.313   27.725   14.179  115.595   16.511   94.049   26.671 21.54619 31.36830 
1 1 1   -8   23   39 o   95.077   16.093   29.758   8.4321   36.650   10.475   17.068   14.213  113.428   17.089   76.726   27.275 36.70232 32.18655 
1 1 1   -8   23   40 o  284.682   7.8195  217.967   11.410  244.369   19.987  205.203   13.897  296.176   12.488  273.188   9.4139 22.98801 15.63899 
1 1 1   -8   23   41 o   90.565   15.786   24.899   7.4695   27.725   12.357   23.273   9.3762   93.707   24.226   87.423   20.246 6.284279 31.57250 
1 1 1   -8   23   42 o  150.457   9.1723   63.317   7.4209   65.283   11.121   61.740   9.9639  152.322   13.511  148.593   12.409 3.728195 18.34459 
1 1 1   -8   23   43 o   56.694   15.016   7.1669   6.6186   0.8949   9.5259   13.021   9.2028   47.357   20.432   66.030   22.011 -18.67303 30.03197 
1 1 1   -8   23   44 o   60.465   15.741   9.9197   6.8599   7.1643   10.136   12.249   9.3185   56.619   22.382   64.311   22.141 -7.692261 31.48297 
1 1 1   -8   23   45 o  273.728   6.7727  208.129   9.9925  202.855   14.541  212.848   13.755  270.148   9.9609  277.308   9.1794 -7.159973 13.54549 
1 1 1   -8   23   46 o  133.434   10.251   52.019   7.2345   44.125   10.775   58.499   9.7624  123.068   16.202  143.800   12.563 -20.73166 20.50251 
1 1 1   -8   23   47 o   76.339   21.245   18.590   9.0848   0.0000   0.0000   18.590   9.0848  ?   ?    76.339   21.245      ?      ? 
1 1 1   -8   23   48 o  112.131   12.241   38.103   7.1611   35.579   10.670   40.172   9.6596  107.013   19.155  117.249   15.246 -10.23588 24.48227 
1 1 1   -8   23   49 o   71.669   16.009   17.126   7.0066   14.532   10.653   19.105   9.3019   67.102   23.639   76.237   21.597 -9.134842 32.01868 
1 1 1   -8   23   50 o   47.890   14.533   2.4752   6.9747  -3.3511   10.909   6.5035   9.0708   43.832   20.139   51.949   20.958 -8.117504 29.06566 
1 1 1   -8   23   51 o   89.424   15.542   26.696   7.4208   27.093   11.184   26.385   9.9187   89.168   23.045   89.680   20.861 -0.5119858 31.08466 
1 1 1   -8   23   52 o   90.968   16.853   32.804   10.314   7.4302   18.194   44.820   12.520   62.481   27.566  119.456   19.396 -56.97506 33.70592 
1 1 1   -8   23   53 o   54.410   16.660   6.3337   10.075 -12.4009   17.814   15.146   12.217   46.101   22.427   62.719   24.643 -16.61863 33.32019 
1 1 1   -8   23   54 o   49.401   15.390   0.7231   8.2455  -7.1632   10.996   10.856   12.464   39.976   18.957   58.826   24.251 -18.85041 30.78097 
1 1 1   -8   23   55 o  215.957   7.8239  137.152   9.0154  134.885   13.773  138.850   11.925  212.929   11.971  218.985   10.078 -6.055710 15.64774 
1 1 1   -8   24    1 o  223.501   8.9767  134.358   10.785  123.559   14.385  148.221   16.298  213.358   12.477  233.645   12.909 -20.28712 17.95332 
1 1 1   -8   24    2 o  372.477   8.9426  373.860   17.925  346.622   24.053  407.883   26.882  357.356   12.456  387.597   12.835 -30.24023 17.88518 
1 1 1   -8   24    3 o  356.696   8.9022  345.370   17.154  344.820   23.976  345.946   24.553  356.424   12.449  356.968   12.729 -0.5441895 17.80437 
1 1 1   -8   24    4 o  231.909   9.3158  144.561   11.531  179.977   17.205  115.676   15.538  257.504   12.365  206.314   13.937 51.19070 18.63151 
1 1 1   -8   24    5 o  355.472   8.9039  342.575   17.086  332.883   23.534  353.378   24.846  350.184   12.437  360.760   12.745 -10.57681 17.80773 
1 1 1   -8   24    6 o  254.784   9.3696  176.798   12.864  189.459   18.037  163.694   18.350  264.153   12.636  245.415   13.837 18.73843 18.73914 
1 1 1   -8   24    7 o  548.978   10.829  819.972   32.112  807.207   44.722  833.558   46.137  544.600   15.197  553.356   15.430 -8.755676 21.65708 
1 1 1   -8   24    8 o  604.845   11.570  996.756   37.809  1015.09   54.121  979.279   52.841  610.260   16.412  599.430   16.313 10.82977 23.14060 
1 1 1   -8   24    9 o  423.138   9.6291  486.828   22.015  493.018   31.124  480.631   31.145  425.848   13.526  420.429   13.709 5.419373 19.25814 
1 1 1   -8   24   10 o  360.014   9.2295  352.408   17.949  361.487   25.324  343.243   25.444  364.708   12.850  355.320   13.252 9.387909 18.45898 
1 1 1   -8   24   11 o   94.584   15.359   19.296   10.137  -7.3288   13.609   52.477   15.193   50.859   23.030  138.309   20.328 -87.45015 30.71804 
1 1 1   -8   24   12 o  278.098   13.893  210.518   20.878   0.0000   0.0000  210.518   20.878  ?   ?   278.098   13.893      ?      ? 
1 1 1   -8   24   17 o  343.308   9.3226  321.581   17.262  341.892   24.303  300.901   24.522  354.369   12.692  332.247   13.659 22.12164 18.64521 
1 1 1   -8   24   18 f  105.827   15.260   31.052   8.5716   40.383   12.875   23.624   11.487  121.076   19.679   90.579   23.328 30.49720 30.51980 
1 1 1   -8   24   19 o  387.032   13.167  408.559   27.538  408.559   27.538   0.0000   0.0000  387.032   13.167  ?   ?       ?      ? 
1 1 1   -8   24   20 o  395.497   9.8578  425.075   21.067   0.0000   0.0000  425.075   21.067  ?   ?   395.497   9.8578      ?      ? 
1 1 1   -8   24   21 o   85.749   15.831   20.650   7.6149   13.639   10.302   29.094   11.307   70.991   23.270  100.507   21.470 -29.51549 31.66173 
1 1 1   -8   24   22 o  112.277   13.585   35.323   8.0464   39.016   11.604   31.903   11.167  118.934   18.056  105.620   20.303 13.31414 27.17073 
1 1 1   -8   24   23 o  349.169   7.0684  331.570   13.328  331.137   19.180  331.975   18.536  348.908   10.173  349.430   9.8166 -0.5216370 14.13683 
1 1 1   -8   24   24 o  259.923   7.3196  183.349   10.259  192.197   15.120  175.801   13.965  265.683   10.531  254.164   10.168 11.51910 14.63910 
1 1 1   -8   24   25 o   48.173   14.870  -2.4394   7.5194  -8.1608   11.155   2.3248   10.180   43.857   20.229   52.489   21.801 -8.631969 29.74047 
1 1 1   -8   24   26 o  203.838   8.0236  113.806   8.7968  101.176   12.427  126.491   12.454  192.348   11.956  215.327   10.704 -22.97842 16.04720 
1 1 1   -8   24   27 o  126.119   11.207   44.049   7.5499   35.888   10.487   52.829   10.878  113.742   17.063  138.497   14.535 -24.75504 22.41454 
1 1 1   -8   24   28 o   62.691   16.504   8.7357   7.5220   11.489   10.954   6.2792   10.347   67.272   23.942   58.109   22.723 9.163116 33.00830 
1 1 1   -8   24   29 o   75.587   16.189   16.182   7.4418   21.923   10.492   10.369   10.557   86.340   22.323   64.835   23.453 21.50468 32.37843 
1 1 1   -8   24   30 o   79.841   14.894   17.988   7.3549   5.3772   10.383   30.687   10.420   56.688   22.576  102.994   19.435 -46.30629 29.78879 
1 1 1   -8   24   31 o  192.007   8.2667  100.473   8.5373  109.082   12.853   93.677   11.421  199.245   11.938  184.768   11.439 14.47768 16.53348 
1 1 1   -8   24   32 o   94.148   14.032   26.072   7.0547   19.076   10.077   32.796   9.8797   80.142   22.400  108.155   16.905 -28.01247 28.06311 
1 1 1   -8   24   33 o   58.799   15.725   7.5672   6.9500   4.5416   9.9403   10.461   9.7211   54.234   21.918   63.363   22.553 -9.129574 31.44931 
1 1 1   -8   24   34 o  128.313   11.206   45.804   7.5817   60.590   11.259   33.537   10.255  147.610   14.116  109.015   17.409 38.59482 22.41249 
1 1 1   -8   24   35 o  101.975   13.604   30.442   7.2442   28.626   11.006   31.830   9.6227   97.764   21.424  106.185   16.771 -8.420944 27.20757 
1 1 1   -8   24   36 o  100.881   14.067   30.297   7.3864   29.695   10.716   30.841   10.195   99.599   20.592  102.162   19.172 -2.562965 28.13491 
1 1 1   -8   24   37 o  194.134   8.0933  103.983   8.4725  109.561   12.485   99.222   11.535  198.874   11.617  189.395   11.271 9.478912 16.18661 
1 1 1   -8   24   38 o  145.320   12.511   61.321   9.2743   62.887   11.497   58.401   15.693  149.536   14.228  141.104   20.582 8.431396 25.02104 
1 1 1   -8   24   39 o  193.859   9.4066  105.307   9.3742  106.126   15.909  104.871   11.602  193.303   15.230  194.415   11.044 -1.112350 18.81314 
1 1 1   -8   24   40 o  196.322   9.1049  108.865   9.3012  104.797   15.182  111.310   11.768  192.341   14.608  200.302   10.873 -7.961151 18.20989 
1 1 1   -8   24   41 f  163.349   9.0182   74.429   7.9303   82.902   11.810   67.470   10.702  171.768   12.723  154.930   12.784 16.83818 18.03636 
1 1 1   -8   24   42 o   91.081   14.448   25.865   6.9334   23.292   10.183   28.088   9.4664   85.961   21.870   96.201   18.884 -10.24022 28.89525 
1 1 1   -8   24   43 o  250.006   9.7196  173.455   13.131   0.0000   0.0000  173.455   13.131  ?   ?   250.006   9.7196      ?      ? 
1 1 1   -8   24   44 o  268.096   9.4147  199.344   13.639   0.0000   0.0000  199.344   13.639  ?   ?   268.096   9.4147      ?      ? 
1 1 1   -8   24   45 o   92.648   14.531   26.713   7.1256   33.851   10.515   20.653   9.6896  104.986   19.244   80.311   21.779 24.67512 29.06289 
1 1 1   -8   24   46 o   99.014   13.926   30.804   7.1568   30.047   10.638   31.431   9.6734   97.021   20.907  101.007   18.401 -3.985802 27.85151 
1 1 1   -8   24   47 o   54.070   15.268   6.4370   6.8879   2.6871   9.9011   9.9537   9.5885   49.062   20.992   59.079   22.177 -10.01704 30.53667 
1 1 1   -8   24   48 o   67.316   15.654   13.306   6.9449   24.178   10.983   6.0629   8.9645   83.357   23.416   51.274   20.782 32.08280 31.30853 
1 1 1   -8   24   49 o   45.893   14.350   0.0783   6.8734   3.5177   10.896  -2.1947   8.8580   50.862   21.898   40.924   18.551 9.938232 28.69952 
1 1 1   -8   24   50 o   98.495   19.323   36.489   10.532   32.320   18.563   38.468   12.790   89.702   31.230  107.288   22.766 -17.58571 38.64672 
1 1 1   -8   24   51 o   72.044   19.757   19.833   10.353   26.667   18.673   16.800   12.440   76.997   30.398   67.091   25.245 9.906013 39.51357 
1 1 1   -8   24   52 o   59.783   16.022   9.4673   8.5868   23.568   11.781  -6.5113   12.541   76.965   24.863   42.601   20.215 34.36367 32.04372 
1 1 1   -8   24   53 o   62.742   15.193   12.770   7.4743  -0.5801   11.081   23.915   10.124   44.890   20.503   80.593   22.427 -35.70274 30.38635 
1 1 1   -8   24   54 o   55.267   15.678   10.796   7.1901   8.8583   10.741   12.370   9.6786   52.912   22.216   57.622   22.128 -4.709862 31.35613 
1 1 1   -8   25    1 o  163.428   9.4151   77.272   7.7540   57.117   12.434   90.099   9.9191  144.631   15.909  182.226   10.073 -37.59468 18.83017 
1 1 1   -8   25    2 o  249.691   10.333  169.202   13.941   0.0000   0.0000  169.202   13.941  ?   ?   249.691   10.333      ?      ? 
1 1 1   -8   25    3 o   65.208   16.852   9.6264   7.7480   8.6378   11.024   10.591   10.891   63.730   23.808   66.685   23.858 -2.955673 33.70450 
1 1 1   -8   25    4 o  391.143   10.005  415.119   21.146   0.0000   0.0000  415.119   21.146  ?   ?   391.143   10.005      ?      ? 
1 1 1   -8   25    5 o  124.559   11.964   42.464   8.0042   36.599   11.155   48.689   11.492  115.600   17.857  133.517   15.928 -17.91677 23.92882 
1 1 1   -8   25    6 o  136.770   10.701   51.050   7.9078   50.252   11.210   51.840   11.157  135.692   15.288  137.848   14.978 -2.155472 21.40263 
1 1 1   -8   25    7 o   45.933   14.659  -5.6395   7.7057  -3.9621   11.332  -7.0822   10.509   48.434   21.542   43.431   19.886 5.003319 29.31745 
1 1 1   -8   25    8 o   59.685   18.723  -1.6491   10.537 -22.1644   24.462   3.0244   11.676   62.369   29.169   57.000   23.482 5.369335 37.44597 
1 1 1   -8   25    9 o  277.726   12.861  216.082   18.843  168.941   27.332  258.784   26.013  247.694   20.420  307.759   15.642 -60.06482 25.72298 
1 1 1   -8   25   10 o  215.271   15.272  133.803   16.866   91.486   24.810  170.158   22.996  181.293   25.326  249.249   17.074 -67.95558 30.54351 
1 1 1   -8   25   11 o  271.928   13.117  206.394   18.606  189.549   29.833  217.117   23.803  262.052   21.068  281.805   15.631 -19.75317 26.23354 
1 1 1   -8   25   12 o  206.041   15.586  123.816   16.309   93.874   25.882  143.536   21.004  183.257   26.136  228.824   16.987 -45.56728 31.17145 
1 1 1   -8   25   13 o  159.384   10.851   70.479   8.9932   47.840   12.462   95.079   12.991  131.998   17.472  186.770   12.872 -54.77136 21.70148 
1 1 1   -8   25   14 o  199.164   11.830  108.020   12.732   0.0000   0.0000  108.020   12.732  ?   ?   199.164   11.830      ?      ? 
1 1 1   -8   25   15 o  258.966   7.4423  182.407   10.410  175.233   14.651  189.720   14.793  253.798   10.683  264.135   10.364 -10.33612 14.88451 
1 1 1   -8   25   16 o  111.089   13.532   34.630   7.9137   30.550   11.034   38.951   11.356  103.277   20.496  118.902   17.674 -15.62526 27.06371 
1 1 1   -8   25   17 o  160.150   9.9437   69.903   8.5514   59.671   11.728   81.517   12.496  147.591   14.705  172.708   13.389 -25.11670 19.88746 
1 1 1   -8   25   18 o   76.466   15.868   15.529   7.8001   26.439   10.962   4.3413   11.101   95.677   21.702   57.255   23.154 38.42190 31.73509 
1 1 1   -8   25   19 o  194.209   8.7001  102.875   9.1262  104.481   13.137  101.377   12.687  195.654   12.426  192.764   12.180 2.889938 17.40011 
1 1 1   -8   25   20 o  232.064   7.9246  146.768   9.9346  151.651   14.132  141.998   13.968  235.900   11.087  228.227   11.326 7.673355 15.84928 
1 1 1   -8   25   21 o  167.762   9.6646   77.561   8.6414   93.419   12.348   62.341   12.097  184.880   12.360  150.644   14.861 34.23552 19.32923 
1 1 1   -8   25   22 o  108.715   13.672   33.208   7.8003   27.321   10.612   40.127   11.505   97.106   20.847  120.324   17.694 -23.21824 27.34369 
1 1 1   -8   25   23 o  290.562   7.2255  229.428   11.322  242.928   16.669  217.865   15.427  298.439   10.336  282.685   10.099 15.75366 14.45095 
1 1 1   -8   25   24 o  379.247   7.1166  392.322   14.574  373.249   20.505  411.795   20.718  369.861   10.259  388.633   9.8656 -18.77188 14.23329 
1 1 1   -8   25   25 o  395.414   9.6920  426.294   20.709   0.0000   0.0000  426.294   20.709  ?   ?   395.414   9.6920      ?      ? 
1 1 1   -8   25   26 o  107.170   13.533   32.923   7.5713   26.024   10.619   40.057   10.798   94.253   21.346  120.086   16.641 -25.83212 27.06554 
1 1 1   -8   25   27 o  118.536   12.588   40.086   7.7406   32.250   10.926   47.982   10.968  105.487   19.897  131.585   15.425 -26.09883 25.17619 
1 1 1   -8   25   28 o   60.035   16.255   7.6329   7.3898   6.3439   10.456   8.9193   10.445   58.057   22.802   62.012   23.172 -3.954693 32.50964 
1 1 1   -8   25   29 o  299.006   9.5744  244.447   15.470   0.0000   0.0000  244.447   15.470  ?   ?   299.006   9.5744      ?      ? 
1 1 1   -8   25   30 o  286.877   9.5574  225.152   14.816   0.0000   0.0000  225.152   14.816  ?   ?   286.877   9.5574      ?      ? 
1 1 1   -8   25   31 o   65.498   16.563   11.228   7.4283   12.142   10.569   10.336   10.442   67.094   23.553   63.902   23.293 3.192608 33.12539 
1 1 1   -8   25   32 o   60.036   16.139   7.8004   7.3007   11.299   10.717   4.7704   9.9731   65.642   23.646   54.431   21.970 11.21096 32.27710 
1 1 1   -8   25   33 o  333.284   6.9115  305.337   12.429  296.587   17.898  313.487   17.274  328.496   10.083  338.072   9.4556 -9.575378 13.82306 
1 1 1   -8   25   34 o   49.248   14.405  -1.1404   6.9771 -11.0244   9.6873   9.5128   10.057   37.061   17.638   61.434   22.781 -24.37298 28.81088 
1 1 1   -8   25   35 o   41.501   13.402  -5.9122   6.8270 -10.6528   9.6529  -1.1678   9.6568   37.196   17.675   45.806   20.151 -8.609745 26.80430 
1 1 1   -8   25   36 o  218.685   10.732  132.338   12.682   0.0000   0.0000  132.338   12.682  ?   ?   218.685   10.732      ?      ? 
1 1 1   -8   25   37 o   36.420   12.678 -20.9640   8.3224 -18.5353   10.314 -25.4955   14.089   33.844   16.592   38.995   19.173 -5.151005 25.35560 
1 1 1   -8   25   38 o  260.818   8.2737  187.485   11.205  197.207   18.814  182.141   13.949  264.961   13.141  256.676   10.057 8.284790 16.54730 
1 1 1   -8   25   39 o   64.732   16.097   11.257   7.7575   1.0124   11.909   18.809   10.224   52.104   22.661   77.360   22.866 -25.25606 32.19310 
1 1 1   -8   25   40 o  135.033   11.071   53.239   7.9278   43.497   11.453   62.200   10.985  122.037   17.368  148.028   13.733 -25.99116 22.14130 
1 1 1   -8   25   41 o   96.996   14.578   29.139   7.4072   34.091   10.878   24.858   10.114  105.270   19.851   88.722   21.354 16.54798 29.15623 
1 1 1   -8   25   42 f   76.057   14.104   16.823   7.1603   1.3279   10.036   32.888   10.219   48.362   20.918  103.752   18.924 -55.39024 28.20803 
1 1 1   -8   25   43 f  115.789   12.472   40.805   7.4024   34.386   11.101   45.944   9.9330  105.184   20.266  126.393   14.543 -21.20879 24.94470 
1 1 1   -8   25   44 o   99.816   14.298   32.740   7.5388   19.829   11.061   43.941   10.302   77.112   23.991  122.519   15.561 -45.40708 28.59596 
1 1 1   -8   25   45 o  156.560   9.7171   72.179   7.9943   56.330   11.641   86.323   10.998  138.550   15.549  174.570   11.658 -36.01987 19.43419 
1 1 1   -8   25   46 o  121.498   11.779   44.437   7.6527   45.876   11.740   43.374   10.092  122.320   17.761  120.676   15.476 1.643555 23.55723 
1 1 1   -8   25   47 o   53.140   14.755   3.8704   7.3822 -10.2193   11.080   15.118   9.8995   39.164   18.701   67.116   22.828 -27.95188 29.50963 
1 1 1   -8   25   48 o  115.252   18.180   44.059   10.662   56.937   18.152   37.275   13.175  125.928   27.450  104.576   23.844 21.35284 36.35968 
1 1 1   -8   25   49 o   55.018   16.912   3.2862   10.304 -14.9955   17.752   12.574   12.653   47.230   22.837   62.805   24.950 -15.57455 33.82348 
1 1 1   -8   25   50 o   80.522   17.338   25.309   8.8669   14.342   11.911   38.941   13.280   61.407   24.266   99.638   24.772 -38.23138 34.67682 
1 1 1   -8   25   51 o   59.189   16.209   11.525   7.4173   14.447   10.879   8.9872   10.139   63.394   23.657   54.983   22.166 8.410835 32.41859 
1 1 1   -8   25   52 o   90.420   15.515   31.413   7.6867   23.931   11.306   37.844   10.482   76.288   24.326  104.551   19.263 -28.26309 31.02954 
1 1 1   -8   26    1 o  497.986   8.8134  677.410   22.526  671.396   38.309  680.588   27.849  495.596   14.305  500.376   10.300 -4.779724 17.62688 
1 1 1   -8   26    2 o  287.161   7.5942  225.971   10.562  220.405   19.873  228.161   12.469  284.252   12.938  290.071   7.9553 -5.818756 15.18832 
1 1 1   -8   26    3 o  184.230   26.811   95.518   26.691   95.518   26.691   0.0000   0.0000  184.230   26.811  ?   ?       ?      ? 
1 1 1   -8   26    4 o  128.590   22.507   50.989   16.141   30.788   24.407   66.689   21.518  105.369   35.844  151.811   27.231 -46.44212 45.01431 
1 1 1   -8   26    5 o  169.854   21.358   89.140   18.034   62.072   28.483  107.252   23.300  143.276   36.644  196.432   21.951 -53.15616 42.71558 
1 1 1   -8   26    6 o  219.442   15.754  136.411   18.322  114.842   27.109  154.549   24.859  202.422   24.783  236.462   19.455 -34.04057 31.50765 
1 1 1   -8   26    7 o   90.122   24.142   18.577   15.978   13.277   26.355   21.658   20.091   88.859   35.767   91.385   32.434 -2.526054 48.28316 
1 1 1   -8   26    8 o  311.657   9.4180  251.316   14.449  233.166   16.940  299.775   27.681  292.711   10.710  330.602   15.495 -37.89151 18.83591 
1 1 1   -8   26    9 o  159.630   10.370   70.229   8.8677   80.200   12.489   60.089   12.594  171.296   13.492  147.963   15.751 23.33365 20.73971 
1 1 1   -8   26   10 f  124.036   12.417   42.114   8.2694   35.946   11.253   49.354   12.192  114.132   18.247  133.940   16.846 -19.80876 24.83387 
1 1 1   -8   26   11 o  104.611   14.243   31.100   7.8363   33.223   10.639   28.581   11.586  109.766   17.937   99.456   22.129 10.30968 28.48551 
1 1 1   -8   26   12 o  236.987   7.7906  152.721   9.9687  144.846   13.833  161.230   14.379  230.626   11.100  243.349   10.935 -12.72238 15.58119 
1 1 1   -8   26   13 o   89.329   16.306   23.019   7.8958   21.820   10.636   24.492   11.785   86.829   22.489   91.829   23.616 -4.999611 32.61110 
1 1 1   -8   26   15 o  230.415   11.413  144.782   14.210   0.0000   0.0000  144.782   14.210  ?   ?   230.415   11.413      ?      ? 
1 1 1   -8   26   16 o  154.791   10.135   65.824   8.4414   66.649   11.466   64.846   12.474  155.970   13.604  153.612   15.028 2.357956 20.27067 
1 1 1   -8   26   17 o  293.489   7.2237  234.530   11.414  208.218   15.870  262.725   16.428  276.347   10.627  310.631   9.7870 -34.28439 14.44744 
1 1 1   -8   26   18 o  214.469   8.2674  125.829   9.5722  119.880   13.561  131.736   13.514  209.349   11.987  219.588   11.389 -10.23941 16.53483 
1 1 1   -8   26   19 o  202.888   8.6369  112.903   9.4494  109.303   13.671  116.197   13.076  199.683   12.670  206.094   11.741 -6.410339 17.27380 
1 1 1   -8   26   20 o  153.040   10.068   64.294   8.2825   55.661   11.398   73.953   12.056  142.062   14.848  164.018   13.603 -21.95673 20.13689 
1 1 1   -8   26   21 o  289.195   7.2223  228.218   11.285  222.969   15.859  233.601   16.061  285.812   10.269  292.578   10.159 -6.766479 14.44451 
1 1 1   -8   26   22 o  223.456   7.9768  136.479   9.6218  128.033   13.381  145.521   13.845  216.264   11.450  230.649   11.109 -14.38539 15.95357 
1 1 1   -8   26   23 o  184.918   8.8833   93.794   8.8532   95.673   13.053   92.193   12.048  186.536   12.950  183.299   12.164 3.236511 17.76653 
1 1 1   -8   26   24 o  112.214   14.098   36.503   8.1019   53.955   11.903   21.437   11.059  139.359   15.806   85.068   23.350 54.29115 28.19646 
1 1 1   -8   26   25 o  245.604   7.4114  165.140   9.8342  168.939   14.067  161.508   13.753  248.365   10.482  242.842   10.481 5.522903 14.82273 
1 1 1   -8   26   26 o  141.556   10.806   56.166   8.1584   45.765   11.471   66.813   11.606  127.822   16.607  155.289   13.831 -27.46718 21.61235 
1 1 1   -8   26   27 o  132.560   10.742   48.973   7.6864   52.061   10.995   46.022   10.750  136.728   14.881  128.392   15.495 8.335327 21.48331 
1 1 1   -8   26   28 f  241.196   10.220  159.557   13.320   0.0000   0.0000  159.557   13.320  ?   ?   241.196   10.220      ?      ? 
1 1 1   -8   26   29 o  120.109   13.138   41.822   7.9721   58.397   11.688   27.402   10.902  144.556   14.963   95.663   21.600 48.89272 26.27666 
1 1 1   -8   26   30 o  209.572   8.1064  122.412   9.0874  106.553   13.152  136.898   12.570  196.071   12.414  223.072   10.428 -27.00137 16.21276 
1 1 1   -8   26   31 o  248.779   10.376  170.496   13.948   0.0000   0.0000  170.496   13.948  ?   ?   248.779   10.376      ?      ? 
1 1 1   -8   26   32 o  112.199   13.248   37.240   7.6741   28.675   10.901   45.656   10.805   97.335   21.316  127.062   15.737 -29.72737 26.49573 
1 1 1   -8   26   33 o  198.392   8.4198  109.942   8.9757  101.507   13.042  117.531   12.371  190.770   12.652  206.014   11.113 -15.24428 16.83953 
1 1 1   -8   26   34 o  112.279   12.741   37.170   7.4770   33.161   10.856   40.788   10.313  104.985   19.864  119.572   15.961 -14.58711 25.48216 
1 1 1   -8   26   35 o  189.351   8.5583  100.271   8.7290   96.711   12.712  103.447   12.007  185.882   12.656  192.820   11.524 -6.937592 17.11667 
1 1 1   -8   26   36 o   99.587   16.915   31.227   8.7142   30.827   10.839   31.959   14.654  100.391   20.669   98.783   26.781 1.608147 33.82921 
1 1 1   -8   26   37 o   56.714   16.276   6.1649   7.7338   7.2297   11.720   5.3436   10.293   59.024   23.819   54.404   22.187 4.619846 32.55125 
1 1 1   -8   26   38 o  214.534   8.8152  124.972   9.8689  147.838   16.729  112.767   12.222  228.233   13.565  200.835   11.262 27.39726 17.63050 
1 1 1   -8   26   39 o   53.426   14.408   1.1984   6.9402   16.078   10.281 -11.2601   9.4071   71.322   23.240   35.530   17.037 35.79204 28.81555 
1 1 1   -8   26   40 o  122.787   11.876   44.559   7.7856   39.843   11.452   48.613   10.616  115.795   18.302  129.779   15.139 -13.98419 23.75164 
1 1 1   -8   26   41 o  120.943   11.937   42.956   7.7714   43.516   11.520   42.489   10.528  121.250   17.583  120.635   16.150 0.6146927 23.87412 
1 1 1   -8   26   42 o   52.007   15.187   3.8564   7.2398   9.5855   10.155  -2.0648   10.324   59.179   22.680   44.836   20.202 14.34310 30.37337 
1 1 1   -8   26   43 o   99.448   14.388   31.499   7.4549   29.842   10.895   32.959   10.223   96.045   21.525  102.851   19.097 -6.805367 28.77546 
1 1 1   -8   26   44 o   62.108   16.369   12.066   7.3959   10.380   10.574   13.682   10.349   59.514   23.054   64.703   23.245 -5.189205 32.73814 
1 1 1   -8   26   45 o   59.656   16.327   9.4260   7.6641   16.243   11.602   4.1478   10.209   68.849   24.624   50.462   21.446 18.38773 32.65441 
1 1 1   -8   26   46 o  282.078   14.758  109.869   13.574  613.513   39.542   42.590   14.452  453.008   16.153  111.147   24.704 341.8600 29.51615 
1 1 1   -8   26   47 o  230.317   11.989  166.199   14.283  141.644   22.402  183.018   18.540  210.990   19.648  249.643   13.743 -38.65305 23.97799 
1 1 1   -8   26   48 o   51.364   15.913   4.4673   8.3553  -0.7086   10.785   12.236   13.214   43.779   20.082   58.950   24.690 -15.17072 31.82590 
1 1 1   -8   26   49 o   86.015   16.073   26.791   7.5761   27.902   11.007   25.792   10.444   87.512   22.982   84.518   22.477 2.993469 32.14622 
1 1 1   -8   26   50 o   60.825   15.808   13.241   7.4724   4.8525   10.929   20.604   10.239   49.126   21.529   72.524   23.153 -23.39830 31.61572 
1 1 1   -8   27    1 o  201.503   11.519  110.717   12.543   0.0000   0.0000  110.717   12.543  ?   ?   201.503   11.519      ?      ? 
1 1 1   -8   27    3 o  252.249   8.2592  174.665   11.020  167.905   17.276  179.303   14.309  247.845   12.900  256.654   10.318 -8.808487 16.51836 
1 1 1   -8   27    4 o  107.267   14.647   32.958   8.2670   38.065   11.496   27.489   11.897  117.335   18.132   97.199   23.008 20.13579 29.29359 
1 1 1   -8   27    5 o  322.140   7.1738  282.358   12.483  285.841   17.943  279.091   17.378  324.040   10.247  320.239   10.042 3.801575 14.34762 
1 1 1   -8   27    6 o  252.837   10.865  174.213   14.844   0.0000   0.0000  174.213   14.844  ?   ?   252.837   10.865      ?      ? 
1 1 1   -8   27    7 o  140.104   10.921   53.992   8.2666   52.979   11.726   54.993   11.656  138.767   15.638  141.442   15.250 -2.675247 21.84293 
1 1 1   -8   27    8 o  109.476   13.389   33.736   7.7189   33.550   10.450   33.960   11.451  110.136   17.559  108.816   20.219 1.319313 26.77899 
1 1 1   -8   27    9 o  159.258   9.8227   69.542   8.4383   69.035   11.577   70.117   12.325  158.706   13.500  159.810   14.272 -1.104324 19.64538 
1 1 1   -8   27   10 o   74.740   16.642   15.376   7.5222   12.429   10.107   19.034   11.262   68.253   23.067   81.227   23.995 -12.97452 33.28456 
1 1 1   -8   27   11 o  186.985   8.7106   94.968   8.7629   88.165   11.742  103.520   13.165  179.525   12.104  194.445   12.529 -14.92000 17.42114 
1 1 1   -8   27   12 o  190.201   8.7939   98.175   8.9965   87.786   12.094  111.049   13.462  179.023   12.501  201.380   12.371 -22.35661 17.58786 
1 1 1   -8   27   13 o  291.313   10.317  231.511   16.241   0.0000   0.0000  231.511   16.241  ?   ?   291.313   10.317      ?      ? 
1 1 1   -8   27   15 o  188.124   8.9839   97.188   9.1229   99.983   12.738   94.246   13.072  190.983   12.343  185.265   13.058 5.718658 17.96783 
1 1 1   -8   27   16 f  116.573   12.810   38.309   7.7865   31.048   10.706   46.464   11.346  103.661   19.835  129.486   16.215 -25.82486 25.61960 
1 1 1   -8   27   17 o  129.233   11.595   46.395   8.0753   50.514   11.467   42.343   11.373  135.069   15.712  123.398   17.057 11.67127 23.19031 
1 1 1   -8   27   18 o  140.542   11.014   54.807   8.3470   56.781   11.583   52.673   12.039  143.314   14.957  137.770   16.172 5.545044 22.02805 
1 1 1   -8   27   19 o  136.104   11.199   51.396   8.2322   49.206   11.531   53.673   11.756  133.103   16.033  139.105   15.640 -6.002289 22.39749 
1 1 1   -8   27   20 o  147.036   10.407   59.954   8.2354   59.035   12.147   60.736   11.204  145.816   15.416  148.255   13.985 -2.438995 20.81404 
1 1 1   -8   27   21 o   65.334   16.968   10.448   7.8855   12.121   11.180   8.7915   11.124   68.011   24.189   62.657   23.803 5.354218 33.93648 
1 1 1   -8   27   22 o  109.586   14.182   34.935   8.1631   30.366   11.692   39.279   11.402  101.078   22.029  118.094   17.868 -17.01578 28.36404 
1 1 1   -8   27   23 o  151.608   10.519   63.693   8.5832   72.177   12.574   56.292   11.745  161.146   14.440  142.071   15.299 19.07533 21.03748 
1 1 1   -8   27   25 o  240.223   10.705  158.572   13.896   0.0000   0.0000  158.572   13.896  ?   ?   240.223   10.705      ?      ? 
1 1 1   -8   27   26 o   62.823   16.027   9.3560   7.2151   4.2204   9.9089   15.152   10.526   53.470   21.783   72.177   23.516 -18.70653 32.05457 
1 1 1   -8   27   27 o   72.997   15.064   14.103   7.4453   27.518   10.592   1.0019   10.468   95.709   21.053   50.285   21.552 45.42386 30.12799 
1 1 1   -8   27   28 o  156.387   9.6931   67.687   8.1488   77.536   12.201   59.756   10.949  166.616   13.551  146.159   13.863 20.45697 19.38618 
1 1 1   -8   27   29 o   42.520   13.824  -6.0851   7.2723  -6.6519   9.9982  -5.4484   10.597   41.269   19.076   43.770   20.014 -2.500511 27.64882 
1 1 1   -8   27   30 o  112.015   13.239   36.077   7.6273   50.112   11.586   25.342   10.133  132.739   16.153   91.290   20.981 41.44903 26.47832 
1 1 1   -8   27   31 o   83.411   16.848   21.829   7.9772   20.885   11.595   22.679   10.992   81.622   24.404   85.199   23.234 -3.576073 33.69514 
1 1 1   -8   27   32 o   68.251   15.475   12.156   7.3864   1.3400   10.359   23.343   10.535   49.860   21.407   86.642   22.354 -36.78219 30.95049 
1 1 1   -8   27   33 o   96.142   15.409   28.516   7.8161   30.926   11.398   26.376   10.738  100.096   21.699   92.187   21.884 7.908813 30.81819 
1 1 1   -8   27   34 o   44.959   14.322  -3.0638   7.3536  -4.9024   10.687  -1.4106   10.134   43.887   20.079   46.031   20.427 -2.143520 28.64346 
1 1 1   -8   27   35 o  219.096   9.7015  135.376   11.040  133.182   13.799  139.279   18.403  218.067   11.710  220.125   15.471 -2.058136 19.40310 
1 1 1   -8   27   36 o  167.321   9.7158   79.716   8.7621   79.369   12.830   80.019   11.995  166.660   14.247  167.982   13.214 -1.321472 19.43151 
1 1 1   -8   27   37 o   48.083   14.856  -0.5991   7.6481  -8.4212   11.777   5.1054   10.057   42.997   20.150   53.169   21.836 -10.17155 29.71220 
1 1 1   -8   27   38 o  134.507   11.431   53.162   8.1128   40.568   11.397   66.097   11.550  117.012   18.026  152.002   14.062 -34.99031 22.86212 
1 1 1   -8   27   39 o   64.268   15.804   11.778   7.3109   19.093   10.097   3.7160   10.600   76.602   22.743   51.935   21.951 24.66725 31.60845 
1 1 1   -8   27   40 o   63.599   15.917   10.929   7.5702   1.6781   10.713   20.155   10.699   49.414   21.492   77.785   23.484 -28.37092 31.83375 
1 1 1   -8   27   41 o   43.277   13.872  -3.9097   7.2897 -11.3374   10.984   1.9372   9.7453   38.732   18.529   47.822   20.649 -9.090157 27.74326 
1 1 1   -8   27   42 o  101.225   15.026   33.615   7.9437   38.253   11.781   29.749   10.757  108.037   20.936   94.413   21.558 13.62354 30.05138 
1 1 1   -8   27   43 o   57.326   17.785   5.6967   9.7574  -4.5856   21.558   8.3459   10.942   57.795   27.141   56.857   22.990 0.9376945 35.56971 
1 1 1   -8   27   44 o  208.969   13.494  106.822   13.300  238.063   25.941   60.023   15.491  280.578   17.110  137.360   20.870 143.2174 26.98742 
1 1 1   -8   27   45 o  111.490   19.450   49.107   11.966   38.514   20.269   54.775   14.826   93.455   32.627  129.525   21.183 -36.06972 38.90039 
1 1 1   -8   27   46 o   63.993   15.139   12.551   8.0486  -6.0365   11.850   28.469   10.966   41.411   19.650   86.575   23.037 -45.16412 30.27878 
1 1 1   -8   27   47 o   82.827   16.567   25.453   7.7461   24.898   11.354   25.937   10.595   81.169   24.121   84.486   22.715 -3.316956 33.13338 
1 1 1   -8   27   48 o  102.855   14.653   37.445   7.8324   36.621   11.591   38.138   10.625  100.174   22.014  105.536   19.344 -5.362602 29.30565 
1 1 1   -8   28    1 o  214.383   8.6192  125.053   9.9850   0.0000   0.0000  125.053   9.9850  ?   ?   214.383   8.6192      ?      ? 
1 1 1   -8   28    2 o  395.670   7.5793  423.125   14.542  437.838   27.699  417.526   17.087  399.443   12.833  391.898   8.0686 7.544800 15.15861 
1 1 1   -8   28    3 o   82.952   13.965   20.809   6.4126   12.606   10.120   26.314   8.2893   68.359   23.081   97.544   15.726 -29.18546 27.92937 
1 1 1   -8   28    4 o  212.418   8.6972  119.393   9.8080  150.923   15.683   99.141   12.569  234.635   12.370  190.201   12.229 44.43430 17.39445 
1 1 1   -8   28    5 o  245.580   7.4478  164.424   9.8697  152.727   13.689  177.090   14.244  236.453   10.713  254.708   10.349 -18.25491 14.89551 
1 1 1   -8   28    6 o  126.928   11.275   44.706   7.7083   46.265   10.608   42.962   11.220  129.424   15.168  124.433   16.687 4.991463 22.55036 
1 1 1   -8   28    7 o   69.908   16.818   13.029   7.6274   10.890   10.556   15.367   11.034   65.762   23.492   74.053   24.073 -8.290199 33.63585 
1 1 1   -8   28    8 o  214.941   8.3528  126.764   9.6841  120.326   13.855  132.914   13.541  209.488   12.239  220.394   11.370 -10.90550 16.70570 
1 1 1   -8   28    9 o   77.387   17.013   16.599   8.1420   10.357   11.262   23.434   11.785   65.728   24.155   89.046   23.963 -23.31815 34.02502 
1 1 1   -8   28   10 o   95.332   15.926   26.819   8.1418   32.397   11.584   21.373   11.445  105.476   21.062   85.188   23.895 20.28793 31.85232 
1 1 1   -8   28   11 o  295.913   10.429  239.255   16.677   0.0000   0.0000  239.255   16.677  ?   ?   295.913   10.429      ?      ? 
1 1 1   -8   28   12 o   91.825   15.958   24.729   7.9005   20.483   10.840   29.541   11.539   83.385   23.207  100.265   21.909 -16.87965 31.91511 
1 1 1   -8   28   13 o  113.720   13.121   37.125   7.7701   39.962   10.491   33.678   11.565  119.893   16.193  107.548   20.650 12.34493 26.24212 
1 1 1   -8   28   14 o  212.887   8.2100  123.403   9.3775  104.431   12.720  145.994   13.880  194.965   12.073  230.808   11.129 -35.84369 16.41998 
1 1 1   -8   28   15 f  182.451   9.1710   92.011   9.0185   97.346   12.590   86.389   12.925  188.057   12.390  176.845   13.525 11.21185 18.34193 
1 1 1   -8   28   16 o  134.713   11.367   51.170   8.1830   56.598   11.227   45.018   11.952  142.804   14.549  126.622   17.468 16.18251 22.73352 
1 1 1   -8   28   17 o  161.048   9.5963   71.689   8.3349   78.165   12.023   65.697   11.565  168.136   13.233  153.961   13.901 14.17461 19.19270 
1 1 1   -8   28   18 o  157.738   10.170   69.330   8.5918   58.309   12.024   80.826   12.281  144.576   15.391  170.900   13.298 -26.32388 20.34071 
1 1 1   -8   28   19 o   62.062   16.406   9.0987   7.4355   10.653   10.384   7.4629   10.652   64.418   23.266   59.705   23.136 4.713749 32.81134 
1 1 1   -8   28   20 o  242.530   10.891  161.660   14.273   0.0000   0.0000  161.660   14.273  ?   ?   242.530   10.891      ?      ? 
1 1 1   -8   28   21 o  159.771   13.578   70.888   11.722   0.0000   0.0000   70.888   11.722  ?   ?   159.771   13.578      ?      ? 
1 1 1   -8   28   22 o   97.572   15.026   28.476   7.6794   28.467   10.455   28.488   11.317   97.864   20.430   97.280   22.040 0.5843124 30.05199 
1 1 1   -8   28   23 o  141.154   10.967   56.853   8.1876   68.972   11.495   44.373   11.665  157.320   13.522  124.988   17.271 32.33205 21.93492 
1 1 1   -8   28   24 o   71.238   15.265   13.369   7.4774   25.786   10.552   0.8473   10.597   92.222   21.561   50.255   21.616 41.96684 30.53081 
1 1 1   -8   28   25 o  143.242   11.342   59.062   8.4461   77.962   12.070   40.925   11.823  167.101   13.367  119.383   18.328 47.71816 22.68443 
1 1 1   -8   28   26 f   59.691   15.016   4.8736   7.4424   19.080   10.604  -8.9175   10.448   78.895   23.278   40.488   18.976 38.40676 30.03214 
1 1 1   -8   28   27 o  164.162   9.2873   75.485   8.2240   70.074   11.571   81.008   11.691  158.030   13.550  170.295   12.704 -12.26520 18.57457 
1 1 1   -8   28   28 o   84.705   16.257   22.440   7.6341   23.373   10.486   21.389   11.135   86.783   22.255   82.627   23.705 4.156128 32.51475 
1 1 1   -8   28   29 o   97.350   14.901   29.057   7.6077   30.216   10.563   27.807   10.967   99.809   20.276   94.891   21.840 4.918762 29.80140 
1 1 1   -8   28   30 o  160.081   9.8384   72.607   8.4420   83.504   12.017   61.988   11.862  172.471   12.894  147.691   14.863 24.78050 19.67684 
1 1 1   -8   28   31 o   67.557   15.463   10.879   7.6420   24.856   11.073  -1.8321   10.560   88.604   22.946   46.510   20.734 42.09373 30.92534 
1 1 1   -8   28   32 o  134.758   11.392   52.436   8.2414   60.188   11.854   45.183   11.466  144.908   15.138  124.608   17.029 20.30038 22.78482 
1 1 1   -8   28   33 o   69.260   16.708   14.790   7.5314   16.263   10.376   13.150   10.949   71.904   23.344   66.617   23.911 5.286827 33.41656 
1 1 1   -8   28   34 o  178.720   11.226   90.952   10.228   87.365   12.462   98.356   17.902  175.377   13.150  182.063   18.197 -6.685303 22.45110 
1 1 1   -8   28   35 o  154.628   10.403   68.662   8.6774   63.343   12.056   74.379   12.499  148.204   15.055  161.053   14.362 -12.84981 20.80651 
1 1 1   -8   28   36 o  114.667   14.661   40.376   8.7963   42.545   13.529   38.787   11.577  115.567   22.474  113.768   18.832 1.799644 29.32125 
1 1 1   -8   28   37 o  209.427   8.5034  125.128   9.5438  109.020   13.632  140.614   13.366  195.367   12.913  223.487   11.068 -28.11929 17.00682 
1 1 1   -8   28   38 o   54.824   15.510   5.3100   7.4865   12.826   10.460  -2.5829   10.720   64.561   23.346   45.087   20.426 19.47376 31.02022 
1 1 1   -8   28   39 o   50.115   14.050  -3.5498   7.4851   15.671   10.319 -24.8958   10.874   68.780   23.307   31.451   15.698 37.32982 28.10031 
1 1 1   -8   28   40 o  169.917   9.9481   84.944   8.9255   64.071   12.286  108.273   12.989  146.248   15.546  193.585   12.417 -47.33656 19.89624 
1 1 1   -8   28   41 o   51.025   17.128  -8.9372   12.371 -16.6464   21.508  -5.1261   15.122   52.215   25.220   49.835   23.182 2.379494 34.25554 
1 1 1   -8   28   42 o   75.172   18.983   17.628   12.370 -11.0676   20.064   35.225   15.712   53.284   25.366   97.059   28.249 -43.77504 37.96623 
1 1 1   -8   28   43 o   63.233   19.268   11.015   11.384   13.696   20.022   9.7342   13.838   66.706   29.189   59.760   25.160 6.945869 38.53600 
1 1 1   -8   28   44 o   47.373   14.844   2.6871   7.7180  -2.2463   11.201   7.1468   10.650   43.102   20.017   51.645   21.925 -8.543091 29.68831 
1 1 1   -8   28   45 o   49.659   14.849   2.0683   7.5571  -8.2900   10.598   12.782   10.779   38.453   18.341   60.864   23.357 -22.41088 29.69754 
1 1 1   -8   28   46 o   93.548   15.172   32.320   7.9041   21.963   11.179   42.674   11.177   73.741   24.244  113.355   18.248 -39.61456 30.34360 
1 1 1   -8   29    1 o  166.380   9.5142   75.620   8.5538   0.0000   0.0000   75.620   8.5538  ?   ?   166.380   9.5142      ?      ? 
1 1 1   -8   29    2 o  305.405   7.3124  253.062   11.482  262.613   19.669  248.125   14.141  309.152   11.774  301.657   8.6751 7.494843 14.62477 
1 1 1   -8   29    3 o  147.044   9.5707   59.485   7.2121   60.541   12.369   58.942   8.8774  147.518   15.516  146.570   11.209 0.9478302 19.14130 
1 1 1   -8   29    4 o   39.672   12.931  -6.0217   6.3387 -10.8626   10.571  -3.3039   7.9207   39.872   18.811   39.471   17.749 0.4008217 25.86288 
1 1 1   -8   29    5 o  160.538   12.692   71.045   11.010   71.045   11.010   0.0000   0.0000  160.538   12.692  ?   ?       ?      ? 
1 1 1   -8   29    6 o  145.958   10.738   59.132   8.4563   57.138   11.578   61.412   12.380  143.392   14.943  148.523   15.425 -5.131073 21.47618 
1 1 1   -8   29    7 o  180.468   12.955   89.912   12.634   89.912   12.634   0.0000   0.0000  180.468   12.955  ?   ?       ?      ? 
1 1 1   -8   29    9 o  161.810   10.011   72.630   8.7523   71.333   12.302   73.960   12.455  160.335   14.199  163.285   14.116 -2.949814 20.02149 
1 1 1   -8   29   10 o  148.822   10.487   61.846   8.3357   73.608   11.940   50.663   11.643  163.033   13.553  134.611   16.006 28.42189 20.97322 
1 1 1   -8   29   11 o   67.331   15.870   10.319   7.5483   0.6723   10.292   21.545   11.103   49.931   21.385   84.731   23.453 -34.79919 31.73906 
1 1 1   -8   29   12 o   54.338   14.075  -4.2810   7.2727 -22.8682   9.8628   17.871   10.767   30.976   15.376   77.701   23.580 -46.72549 28.15079 
1 1 1   -8   29   13 o   83.173   16.029   21.039   7.7013   27.418   10.462   13.495   11.378   96.197   20.737   70.149   24.448 26.04846 32.05836 
1 1 1   -8   29   14 o   77.661   15.707   16.467   7.3440   8.1771   9.6985   27.609   11.244   59.319   22.297   96.003   22.128 -36.68361 31.41327 
1 1 1   -8   29   15 o  105.754   14.155   32.865   7.7895   30.710   10.843   35.163   11.197  101.939   20.397  109.569   19.633 -7.630486 28.31060 
1 1 1   -8   29   16 o  206.190   12.223  117.530   13.619   0.0000   0.0000  117.530   13.619  ?   ?   206.190   12.223      ?      ? 
1 1 1   -8   29   17 o   80.543   15.843   19.060   7.5266   11.002   10.402   27.915   10.904   64.652   23.296   96.433   21.476 -31.78094 31.68507 
1 1 1   -8   29   18 f   99.467   15.622   29.849   8.2208   23.761   11.366   36.529   11.905   88.095   23.458  110.838   20.637 -22.74330 31.24332 
1 1 1   -8   29   19 o  138.039   10.794   53.691   8.0274   54.236   10.978   53.064   11.768  139.026   14.613  137.052   15.890 1.973969 21.58791 
1 1 1   -8   29   20 o   53.422   15.773   3.1585   7.6396   5.2261   10.411   0.7468   11.245   55.421   22.420   51.424   22.192 3.997059 31.54576 
1 1 1   -8   29   21 o   57.523   15.971   6.3561   7.3920   2.5370   10.312   10.394   10.602   51.633   21.728   63.413   23.415 -11.78004 31.94289 
1 1 1   -8   29   22 o  106.612   14.312   33.495   7.9740   21.770   10.773   47.704   11.859   83.981   23.043  129.243   16.981 -45.26202 28.62390 
1 1 1   -8   29   23 o  162.272   9.8857   74.952   8.5512   84.933   11.792   63.884   12.418  174.443   12.510  150.101   15.311 24.34213 19.77149 
1 1 1   -8   29   24 o   63.773   16.060   9.1031   7.6853   19.339   11.184  -0.0556   10.579   78.790   24.059   48.756   21.279 30.03398 32.11918 
1 1 1   -8   29   25 o   66.816   16.630   12.168   7.6974   17.792   11.100   6.9588   10.684   75.891   24.093   57.742   22.930 18.14923 33.26068 
1 1 1   -8   29   26 o   57.250   15.607   5.2771   7.3390  -2.3409   9.9407   14.404   10.881   44.841   20.044   69.659   23.929 -24.81813 31.21427 
1 1 1   -8   29   27 o   76.277   15.651   17.046   7.2158   9.2549   9.6475   26.938   10.871   59.635   22.273   92.918   21.993 -33.28233 31.30117 
1 1 1   -8   29   28 o   43.969   14.001  -4.2998   7.2959   1.7188   9.8205 -11.7138   10.900   48.855   20.905   39.082   18.630 9.772984 28.00201 
1 1 1   -8   29   30 o  144.542   10.924   61.108   8.3385   74.184   11.700   47.609   11.887  161.629   13.396  127.456   17.260 34.17310 21.84835 
1 1 1   -8   29   31 o  103.986   15.092   34.122   8.1956   29.953   11.647   38.211   11.535   96.572   22.701  111.400   19.892 -14.82773 30.18333 
1 1 1   -8   29   32 o   68.115   15.751   13.028   7.5380   23.397   10.650   2.6181   10.671   85.165   22.721   51.066   21.820 34.09896 31.50183 
1 1 1   -8   29   33 o  102.527   17.265   33.143   9.0248   29.837   11.041   39.797   15.666   96.913   21.631  108.141   26.915 -11.22755 34.53016 
1 1 1   -8   29   34 o   71.754   14.656   9.7926   7.9508  -8.3829   10.435   34.945   12.276   39.759   18.737  103.749   22.541 -63.99073 29.31190 
1 1 1   -8   29   35 o   49.510   15.591  -0.2537   8.4193  -0.9477   12.266   0.3645   11.577   49.479   22.180   49.541   21.917 -0.6179428E-01 31.18149 
1 1 1   -8   29   36 o  136.596   11.456   55.646   8.3417   45.960   11.778   65.394   11.816  123.452   17.655  149.740   14.603 -26.28727 22.91228 
1 1 1   -8   29   37 o  192.568   12.881  107.492   13.404   0.0000   0.0000  107.492   13.404  ?   ?   192.568   12.881      ?      ? 
1 1 1   -8   29   38 o   74.543   19.361   21.003   10.575   8.0158   22.501   24.685   11.981   65.896   29.746   83.190   24.791 -17.29313 38.72240 
1 1 1   -8   29   39 f   72.399   20.958   13.309   13.090   32.320   21.510   2.1279   16.496   87.700   33.152   57.097   25.650 30.60279 41.91635 
1 1 1   -8   29   40 o   62.936   18.813   7.7134   11.954  -6.9009   18.031   19.173   15.967   52.622   24.747   73.251   28.343 -20.62960 37.62630 
1 1 1   -8   29   41 o   65.334   17.016   15.992   9.1045   23.567   11.206   1.2831   15.616   78.475   24.104   52.194   24.024 26.28049 34.03151 
1 1 1   -8   29   42 o   68.047   16.847   17.924   7.6553   16.260   10.624   19.721   11.040   65.258   23.539   70.836   24.107 -5.577782 33.69340 
1 1 1   -8   29   43 o   47.590   14.965   1.5656   7.8543  -2.6850   11.162   5.7348   11.054   43.582   20.149   51.598   22.132 -8.015976 29.93003 
1 1 1   -8   29   44 o   58.073   16.443   12.361   7.8380   13.343   11.168   11.407   11.003   59.412   23.491   56.734   23.014 2.677929 32.88605 
1 1 1   -8   30    1 o   61.220   20.286   10.434   7.8217   0.0000   0.0000   10.434   7.8217  ?   ?    61.220   20.286      ?      ? 
1 1 1   -8   30    2 o  305.480   7.2277  254.116   11.931   0.0000   0.0000  254.116   11.931  ?   ?   305.480   7.2277      ?      ? 
1 1 1   -8   30    3 o  236.320   7.2190  151.790   8.6580  157.613   15.224  149.006   10.526  239.026   11.787  233.613   8.3383 5.412170 14.43795 
1 1 1   -8   30    4 o   41.955   13.429  -8.5021   6.2990   3.3108   11.036 -14.2108   7.6716   54.492   22.671   29.418   14.399 25.07340 26.85704 
1 1 1   -8   30    5 o  185.620   8.2158   90.564   7.6622  107.275   14.115   83.583   9.1234  196.606   13.286  174.633   9.6681 21.97337 16.43162 
1 1 1   -8   30    6 o  130.075   11.190   47.294   7.8279   41.288   10.733   54.120   11.441  121.107   16.401  139.042   15.228 -17.93504 22.38057 
1 1 1   -8   30    7 o  172.802   9.4580   82.045   8.7421   67.297   11.766  100.219   13.062  155.426   14.009  190.178   12.710 -34.75244 18.91596 
1 1 1   -8   30    8 o   72.008   16.126   14.749   7.4566   21.521   10.413   7.6236   10.682   84.354   22.450   59.662   23.155 24.69172 32.25143 
1 1 1   -8   30    9 o   69.539   16.684   13.780   7.4996   15.116   10.147   12.172   11.134   71.799   23.061   67.279   24.116 4.519302 33.36800 
1 1 1   -8   30   10 o  157.335   10.186   69.832   8.5793   77.308   11.850   61.596   12.437  166.708   13.154  147.962   15.556 18.74609 20.37198 
1 1 1   -8   30   11 o  131.442   11.975   49.101   8.4479   56.223   12.086   42.299   11.813  141.169   15.844  121.716   17.960 19.45258 23.95016 
1 1 1   -8   30   12 o  130.036   11.794   48.020   8.2798   46.638   11.842   49.342   11.581  128.039   17.116  132.033   16.232 -3.993317 23.58891 
1 1 1   -8   30   13 o  169.383   9.4419   79.846   8.6174   71.875   11.887   88.676   12.511  160.347   13.719  178.419   12.977 -18.07237 18.88375 
1 1 1   -8   30   14 o  208.108   12.157  120.233   13.671   0.0000   0.0000  120.233   13.671  ?   ?   208.108   12.157      ?      ? 
1 1 1   -8   30   15 o  115.854   18.748   38.677   11.737   0.0000   0.0000   38.677   11.737  ?   ?   115.854   18.748      ?      ? 
1 1 1   -8   30   17 o  171.039   13.991   82.182   12.931   0.0000   0.0000   82.182   12.931  ?   ?   171.039   13.991      ?      ? 
1 1 1   -8   30   18 o  121.991   12.418   43.003   8.1303   44.467   11.017   41.252   12.048  124.786   16.338  119.197   18.705 5.588867 24.83591 
1 1 1   -8   30   19 o  103.786   14.251   31.577   7.7863   23.961   10.365   41.441   11.796   88.038   21.883  119.535   18.262 -31.49657 28.50214 
1 1 1   -8   30   20 o  141.868   10.875   57.236   8.3352   56.802   11.653   57.691   11.927  141.376   15.253  142.361   15.505 -0.9857178 21.75005 
1 1 1   -8   30   21 o   60.035   16.058   7.8649   7.6618   14.602   10.461   0.0702   11.253   69.884   23.468   50.186   21.923 19.69754 32.11506 
1 1 1   -8   30   22 o  180.364   9.2327   90.893   8.9263   76.174   12.182  107.956   13.117  164.323   13.720  196.406   12.359 -32.08279 18.46548 
1 1 1   -8   30   23 o   95.622   15.509   28.604   8.2910   40.036   11.727   17.177   11.724  116.855   18.571   74.389   24.845 42.46625 31.01835 
1 1 1   -8   30   24 o  150.865   10.814   65.096   8.7956   71.387   12.701   59.299   12.193  158.093   14.867  143.636   15.709 14.45737 21.62862 
1 1 1   -8   30   25 o   91.750   15.218   26.240   7.4619   21.139   10.234   32.030   10.903   81.593   22.489  101.907   20.509 -20.31409 30.43694 
1 1 1   -8   30   26 o   82.095   15.622   21.869   7.4698   29.190   10.181   13.335   10.993   97.241   20.043   66.948   23.967 30.29315 31.24303 
1 1 1   -8   30   27 o  131.008   11.917   50.168   8.3480   41.462   11.531   59.759   12.102  118.344   18.031  143.671   15.588 -25.32694 23.83495 
1 1 1   -8   30   28 o  147.227   10.639   62.612   8.4441   67.182   11.929   58.022   11.955  152.994   14.429  141.460   15.639 11.53429 21.27874 
1 1 1   -8   30   29 o  181.847   12.700   93.637   12.479   0.0000   0.0000   93.637   12.479  ?   ?   181.847   12.700      ?      ? 
1 1 1   -8   30   30 o   93.994   15.587   28.178   7.7870   24.516   10.622   32.432   11.449   87.010   22.444  100.977   21.634 -13.96616 31.17359 
1 1 1   -8   30   31 o  178.940   9.3274   92.238   8.9338  105.079   12.561   79.093   12.709  192.439   12.080  165.442   14.216 26.99748 18.65475 
1 1 1   -8   30   32 o   46.269   21.858 -10.1081   14.356   0.0000   0.0000 -10.1081   14.356  ?   ?    46.269   21.858      ?      ? 
1 1 1   -8   30   33 o   85.327   17.920   22.431   8.8161   14.339   10.853   38.131   15.117   66.846   23.826  103.808   26.774 -36.96197 35.84035 
1 1 1   -8   30   34 o  123.076   13.376   46.969   8.8555   51.171   13.321   43.642   11.854  127.616   19.317  118.537   18.507 9.078384 26.75144 
1 1 1   -8   30   35 o   36.906   13.411 -37.2229   10.215 -40.0225   22.502 -36.4962   11.464   45.168   22.551   28.643   14.522 16.52489 26.82239 
1 1 1   -8   30   36 f   58.843   19.153  -1.2237   13.568   6.8491   22.004  -6.1757   17.234   65.447   29.492   52.238   24.447 13.20945 38.30678 
1 1 1   -8   30   37 o   78.710   20.847   22.190   13.532   3.6914   20.820   35.721   17.806   62.476   28.367   94.944   30.555 -32.46775 41.69321 
1 1 1   -8   30   38 o   71.302   20.785   18.015   12.927   29.392   20.148   10.056   16.852   80.809   31.679   61.794   26.916 19.01523 41.56924 
1 1 1   -8   30   39 o   66.325   16.715   16.522   7.9316   9.4515   10.848   24.645   11.627   54.651   22.586   77.998   24.647 -23.34688 33.43057 
1 1 1   -8   30   40 o   69.222   16.662   17.729   7.7808   23.311   10.873   11.870   11.139   78.901   23.641   59.543   23.487 19.35837 33.32463 
1 1 1   -8   30   41 o  104.511   14.875   38.349   8.2386   32.272   11.588   44.560   11.715   92.970   23.155  116.053   18.681 -23.08305 29.75071 
1 1 1   -8   30   42 o   67.063   16.804   18.429   7.7023   21.307   10.898   15.556   10.888   71.851   23.952   62.275   23.575 9.575623 33.60793 
1 1 1   -8   31    1 o  105.664   14.762   31.424   8.4287   0.0000   0.0000   31.424   8.4287  ?   ?   105.664   14.762      ?      ? 
1 1 1   -8   31    2 o  210.295   9.6344  121.611   10.948   0.0000   0.0000  121.611   10.948  ?   ?   210.295   9.6344      ?      ? 
1 1 1   -8   31    3 o   59.389   19.720   9.9698   7.3893   0.0000   0.0000   9.9698   7.3893  ?   ?    59.389   19.720      ?      ? 
1 1 1   -8   31    4 o   96.077   12.454   25.870   6.2425   33.829   9.8881   20.595   8.0493  108.966   16.793   83.188   18.395 25.77810 24.90749 
1 1 1   -8   31    5 o  160.164   8.4903   72.212   7.1150   67.027   11.347   75.571   9.1336  154.757   13.569  165.572   10.209 -10.81503 16.98051 
1 1 1   -8   31    6 o   63.653   13.899   8.1264   6.2577   22.703   9.6956  -2.2807   8.1925   86.419   20.974   40.886   18.242 45.53307 27.79716 
1 1 1   -8   31    7 o   95.127   15.446   27.677   7.7736   26.833   11.020   28.512   10.967   93.518   22.148   96.735   21.535 -3.217026 30.89165 
1 1 1   -8   31    8 o   65.567   16.656   11.653   7.7033   15.298   10.439   7.2954   11.414   71.559   23.423   59.576   23.688 11.98226 33.31296 
1 1 1   -8   31    9 o  137.678   11.291   54.555   8.2884   60.512   11.325   47.683   12.163  146.556   14.300  128.800   17.476 17.75629 22.58128 
1 1 1   -8   31   10 o   68.386   16.202   12.563   7.3425   6.4103   9.7935   20.460   11.096   55.730   22.010   81.041   23.783 -25.31058 32.40493 
1 1 1   -8   31   11 o  102.360   14.861   31.741   7.9335   28.940   10.819   35.000   11.669   97.298   21.178  107.423   20.855 -10.12473 29.72233 
1 1 1   -8   31   12 o  107.233   14.132   35.542   7.8003   43.527   10.551   25.917   11.584  123.561   15.802   90.906   23.433 32.65510 28.26344 
1 1 1   -8   31   13 o  101.876   15.036   31.758   8.0086   32.574   11.223   30.912   11.431  103.489   20.791  100.262   21.727 3.226265 30.07213 
1 1 1   -8   31   14 o  121.782   12.414   42.386   8.1168   38.984   10.758   46.883   12.368  116.366   17.108  127.198   17.994 -10.83212 24.82886 
1 1 1   -8   31   15 o  187.381   9.2395   98.397   9.3401   96.063   12.790  101.062   13.672  185.154   12.784  189.607   13.344 -4.453186 18.47907 
1 1 1   -8   31   16 o   57.716   15.341   3.5648   7.7563   17.387   11.000 -10.1032   10.938   74.952   24.005   40.479   19.109 34.47318 30.68207 
1 1 1   -8   31   17 o   56.374   15.598   4.7453   7.3800  -2.7313   9.9900   13.728   10.950   44.440   19.962   68.307   23.973 -23.86693 31.19653 
1 1 1   -8   31   18 o  243.284   11.117  164.871   14.615   0.0000   0.0000  164.871   14.615  ?   ?   243.284   11.117      ?      ? 
1 1 1   -8   31   19 o  114.139   13.072   38.233   8.0520   36.516   11.048   40.178   11.760  111.486   18.339  116.792   18.633 -5.305908 26.14431 
1 1 1   -8   31   20 o   94.768   15.802   28.833   8.0682   35.096   11.152   21.955   11.687  107.122   20.002   82.414   24.468 24.70866 31.60307 
1 1 1   -8   31   21 o   70.261   16.967   15.251   7.7850   17.164   10.746   13.138   11.294   73.648   23.741   66.874   24.247 6.773949 33.93414 
1 1 1   -8   31   22 o   79.152   16.663   20.188   7.6312   19.694   10.289   20.793   11.377   78.348   22.876   79.956   24.234 -1.608170 33.32579 
1 1 1   -8   31   23 o   74.467   16.304   16.963   7.7643   8.4813   10.748   26.218   11.228   58.885   23.121   90.049   22.994 -31.16415 32.60850 
1 1 1   -8   31   24 o   75.869   17.255   18.534   8.1889   22.932   11.563   14.109   11.599   83.564   24.209   68.174   24.595 15.39013 34.51038 
1 1 1   -8   31   25 o   60.226   16.435   9.0069   7.7982   13.206   10.714   4.2762   11.372   66.270   23.668   54.183   22.810 12.08721 32.87046 
1 1 1   -8   31   26 o  120.629   12.583   43.078   8.1566   37.456   11.257   49.294   11.836  111.844   18.626  129.413   16.925 -17.56929 25.16663 
1 1 1   -8   31   27 o  188.190   9.2719  101.305   9.4243  103.562   13.242   98.989   13.415  190.509   12.864  185.871   13.356 4.638306 18.54374 
1 1 1   -8   31   28 o   74.102   16.959   17.206   8.0137   10.539   10.667   25.846   12.143   61.029   23.279   87.174   24.668 -26.14425 33.91779 
1 1 1   -8   31   29 o  103.848   14.895   34.094   8.2448   21.516   11.183   49.072   12.203   79.881   23.985  127.815   17.669 -47.93371 29.79021 
1 1 1   -8   31   30 o   84.486   16.224   23.861   8.2876   12.130   11.461   36.720   11.999   63.131   24.118  105.840   21.708 -42.70879 32.44883 
1 1 1   -8   31   31 f   61.130   17.196   10.875   8.8880   15.335   11.006   2.5113   15.071   67.178   23.988   55.082   24.646 12.09607 34.39285 
1 1 1   -8   31   32 o   53.604   18.234 -13.1883   13.471   1.6270   24.914 -19.3086   16.013   63.912   29.738   43.295   21.107 20.61649 36.46719 
1 1 1   -8   31   33 o   51.536   24.092  -6.1014   16.659   0.0000   0.0000  -6.1014   16.659  ?   ?    51.536   24.092      ?      ? 
1 1 1   -8   31   34 o   75.696   21.824   19.429   13.449   27.297   23.117   15.403   16.536   81.997   33.323   69.394   28.190 12.60290 43.64785 
1 1 1   -8   31   35 f   65.632   19.753   12.332   12.977   0.2664   19.166   22.545   17.634   56.631   26.259   74.633   29.516 -18.00179 39.50611 
1 1 1   -8   31   36 o   48.341   15.098   3.1588   7.7720  -0.8339   10.479   8.0407   11.587   43.216   19.813   53.465   22.788 -10.24839 30.19697 
1 1 1   -8   31   37 o   46.949   14.830   0.8408   7.7293  -3.4748   10.442   6.0718   11.496   41.603   19.323   52.294   22.504 -10.69156 29.66101 
1 1 1   -8   31   38 o   54.695   15.725   7.8659   7.8178   14.614   10.583  -0.2408   11.599   63.281   23.387   46.110   21.028 17.17146 31.45047 
1 1 1   -8   31   39 o   57.135   16.263   10.818   8.0822   3.8603   11.298   18.110   11.567   48.131   21.452   66.139   24.449 -18.00842 32.52601 
1 1 1   -8   32    1 o   43.114   18.341   1.0922   7.4790   0.0000   0.0000   1.0922   7.4790  ?   ?    43.114   18.341      ?      ? 
1 1 1   -8   32    2 o  243.436   9.7348  163.619   12.806   0.0000   0.0000  163.619   12.806  ?   ?   243.436   9.7348      ?      ? 
1 1 1   -8   32    3 o  102.337   13.905   29.564   7.6895   0.0000   0.0000   29.564   7.6895  ?   ?   102.337   13.905      ?      ? 
1 1 1   -8   32    4 o   77.304   18.796   18.099   7.7757   0.0000   0.0000   18.099   7.7757  ?   ?    77.304   18.796      ?      ? 
1 1 1   -8   32    5 o   58.203   14.719   8.6488   6.4692  -0.4741   10.525   14.189   8.2014   48.029   21.086   68.377   20.542 -20.34806 29.43768 
1 1 1   -8   32    6 o   77.362   15.268   17.322   6.4763   24.279   10.846   13.468   8.0735   87.960   22.675   66.763   20.452 21.19626 30.53578 
1 1 1   -8   32    7 o   38.222   12.464  -5.8553   6.1200 -12.2703   9.7088  -1.6258   7.8834   35.914   17.244   40.530   18.000 -4.615517 24.92703 
1 1 1   -8   32    8 o   85.988   15.854   23.518   7.5233   27.072   10.196   19.270   11.146   93.818   20.670   78.157   24.045 15.66151 31.70854 
1 1 1   -8   32    9 o  147.455   10.989   62.657   8.6845   69.968   12.127   54.961   12.442  156.984   14.296  137.926   16.694 19.05771 21.97896 
1 1 1   -8   32   10 o   64.462   15.343   10.375   7.5307   21.200   10.135  -2.9683   11.253   82.076   22.280   46.848   21.102 35.22829 30.68689 
1 1 1   -8   32   11 o   78.524   16.280   19.186   8.0428   28.956   11.209   8.8184   11.547   96.099   22.053   60.949   23.954 35.15067 32.55963 
1 1 1   -8   32   12 o  100.110   14.796   29.580   7.9015   20.141   10.326   42.912   12.273   79.692   22.817  120.528   18.844 -40.83553 29.59259 
1 1 1   -8   32   13 o   51.643   15.529   0.2094   7.9188  -7.0514   10.694   9.0253   11.783   41.944   19.505   61.343   24.170 -19.39962 31.05831 
1 1 1   -8   32   14 o  138.479   11.387   55.274   8.4838   53.258   11.401   57.776   12.699  135.989   15.515  140.968   16.671 -4.979187 22.77401 
1 1 1   -8   32   15 f  126.675   12.970   48.945   8.3760   57.547   11.393   38.825   12.357  141.609   14.888  111.742   21.241 29.86699 25.93936 
1 1 1   -8   32   16 o   64.544   16.627   10.768   7.8958   4.0241   10.747   18.678   11.639   53.005   22.237   76.083   24.725 -23.07739 33.25346 
1 1 1   -8   32   17 o  117.861   14.419   43.779   8.5801   71.177   12.604   20.117   11.713  157.275   14.831   78.448   24.733 78.82695 28.83890 
1 1 1   -8   32   18 o  127.768   12.927   49.651   8.4528   38.231   12.088   60.579   11.825  110.659   20.983  144.877   15.104 -34.21822 25.85395 
1 1 1   -8   32   19 o  151.077   10.988   65.911   8.8909   77.993   12.938   55.099   12.239  164.802   14.528  137.353   16.490 27.44925 21.97658 
1 1 1   -8   32   20 o   62.623   16.295   8.4300   8.1923  -2.7295   11.479   20.016   11.696   47.030   21.236   78.215   24.721 -31.18528 32.58991 
1 1 1   -8   32   21 o   47.072   14.821  -3.1343   7.8115  -9.5861   10.588   4.5726   11.572   39.453   18.678   54.691   23.016 -15.23783 29.64174 
1 1 1   -8   32   22 o   56.571   16.128   5.1421   7.8621  -1.3641   10.398   13.828   12.014   45.836   20.493   67.305   24.910 -21.46880 32.25643 
1 1 1   -8   32   23 o   96.170   15.134   28.977   7.9953   18.467   10.746   42.009   11.966   74.671   23.706  117.669   18.820 -42.99773 30.26803 
1 1 1   -8   32   24 f   79.828   16.349   20.091   8.3157   8.1070   11.407   33.682   12.148   58.264   23.503  101.392   22.733 -43.12875 32.69897 
1 1 1   -8   32   25 o   42.492   13.732  -9.2112   7.8424   3.9481   10.640 -24.8624   11.604   51.790   21.947   33.195   16.511 18.59496 27.46474 
1 1 1   -8   32   26 o   78.954   16.257   20.883   8.3670   33.259   11.680   7.8354   11.992  100.183   22.163   57.726   23.791 42.45722 32.51445 
1 1 1   -8   32   27 o   41.100   13.732  -8.0634   8.0199  -8.9435   11.207  -7.1396   11.482   40.197   19.084   42.002   19.751 -1.804760 27.46494 
1 1 1   -8   32   28 o   67.118   16.124   12.862   8.2060   26.349   11.670  -0.3290   11.541   86.497   24.080   47.739   21.449 38.75862 32.24815 
1 1 1   -8   32   29 o   76.073   21.235   17.962   10.948   31.779   24.025   14.340   12.299   85.744   34.277   66.401   25.076 19.34305 42.47062 
1 1 1   -8   32   30 o   94.801   34.591   39.459   23.037   39.459   23.037   0.0000   0.0000   94.801   34.591  ?   ?       ?      ? 
1 1 1   -8   32   31 o   53.182   25.449 -11.8513   20.756 -11.8513   20.756   0.0000   0.0000   53.182   25.449  ?   ?       ?      ? 
1 1 1   -8   32   32 f   44.655   21.819 -17.1914   17.390   0.0000   0.0000 -17.1914   17.390  ?   ?    44.655   21.819      ?      ? 
1 1 1   -8   32   33 o   56.971   16.672   10.875   8.4262   12.876   11.715   8.7305   12.128   59.413   23.871   54.529   23.280 4.883625 33.34323 
1 1 1   -8   32   34 o   65.608   17.347   15.884   8.3314   18.829   11.978   13.123   11.596   69.849   25.016   61.366   24.040 8.482662 34.69440 
1 1 1   -8   32   35 f   65.248   17.412   16.055   8.4141   18.472   12.101   13.793   11.707   68.651   25.067   61.844   24.174 6.807518 34.82446 
1 1 1   -8   32   36 o   41.847   13.971  -4.8960   8.3323  -0.8094   11.749  -9.0313   11.819   44.596   20.637   39.099   18.837 5.497246 27.94108 
1 1 1   -8   33    1 o   81.535   22.696   21.337   10.367   0.0000   0.0000   21.337   10.367  ?   ?    81.535   22.696      ?      ? 
1 1 1   -8   33    2 o   35.787   16.609  -5.3068   7.6922   0.0000   0.0000  -5.3068   7.6922  ?   ?    35.787   16.609      ?      ? 
1 1 1   -8   33    3 o   47.457   18.866   4.4758   7.2386   0.0000   0.0000   4.4758   7.2386  ?   ?    47.457   18.866      ?      ? 
1 1 1   -8   33    4 f  139.773   10.773   54.563   8.1365   0.0000   0.0000   54.563   8.1365  ?   ?   139.773   10.773      ?      ? 
1 1 1   -8   33    5 o  159.904   10.591   71.348   9.1516   0.0000   0.0000   71.348   9.1516  ?   ?   159.904   10.591      ?      ? 
1 1 1   -8   33    6 o  112.443   11.295   36.706   6.5457   36.734   10.991   36.690   8.1484  111.261   18.281  113.626   13.271 -2.365044 22.59027 
1 1 1   -8   33    7 o  101.862   13.829   31.258   7.0180   32.793   12.245   30.507   8.5641  101.025   22.953  102.699   15.432 -1.673920 27.65828 
1 1 1   -8   33    8 o  100.872   12.918   30.491   6.5226   30.991   11.106   30.228   8.0590   99.151   21.358  102.593   14.537 -3.441376 25.83620 
1 1 1   -8   33    9 o   46.454   14.542  -1.1566   7.3500   2.4778   9.8562  -5.7099   11.032   49.401   21.036   43.508   20.085 5.893555 29.08471 
1 1 1   -8   33   10 o  171.618   9.7724   83.846   9.0371   75.649   12.435   93.022   13.156  162.527   14.159  180.710   13.473 -18.18259 19.54482 
1 1 1   -8   33   11 o   91.058   16.703   27.024   8.3014   28.940   11.790   25.140   11.691   94.531   23.243   87.584   23.993 6.946785 33.40553 
1 1 1   -8   33   12 o  107.901   14.314   36.431   8.0201   41.404   10.806   30.332   11.967  118.897   16.819   96.904   23.167 21.99367 28.62885 
1 1 1   -8   33   13 o   57.844   16.403   7.1501   7.8427   4.3169   10.685   10.459   11.548   53.125   22.223   62.563   24.132 -9.438137 32.80556 
1 1 1   -8   33   14 o   70.807   14.733   11.865   8.0558   31.163   11.296  -8.1075   11.492   99.058   21.703   42.556   19.931 56.50175 29.46637 
1 1 1   -8   33   15 o   58.951   16.288   7.2193   7.6621   1.7635   9.9978   14.985   11.928   48.589   20.947   69.313   24.949 -20.72308 32.57680 
1 1 1   -8   33   16 o   58.153   16.295   7.3893   7.7173   2.9270   10.286   13.135   11.672   50.313   21.459   65.994   24.528 -15.68110 32.58979 
1 1 1   -8   33   17 o   86.720   16.335   25.584   8.0953   32.070   10.910   17.639   12.075  100.416   20.791   73.023   25.201 27.39302 32.67031 
1 1 1   -8   33   18 f  106.921   15.192   36.570   8.4451   35.470   11.426   37.894   12.538  105.668   20.751  108.173   22.194 -2.504807 30.38363 
1 1 1   -8   33   19 o   44.659   14.492  -4.0735   7.8823  -2.5754   10.238  -6.2544   12.352   44.105   19.973   45.212   21.005 -1.107185 28.98463 
1 1 1   -8   33   20 o   67.128   16.552   14.211   8.0315   20.692   10.486   5.0131   12.492   78.650   23.131   55.607   23.681 23.04344 33.10327 
1 1 1   -8   33   21 o  102.290   16.198   35.126   8.6795   35.726   11.552   34.348   13.152  104.860   21.118   99.720   24.568 5.140121 32.39653 
1 1 1   -8   33   22 o   73.775   17.591   19.122   8.6308   24.881   12.019   12.992   12.401   83.432   24.824   64.119   24.931 19.31244 35.18180 
1 1 1   -8   33   23 o   55.842   16.057   4.9567   8.3709   15.997   11.925  -5.7697   11.754   68.201   24.887   43.482   20.297 24.71905 32.11390 
1 1 1   -8   33   24 o   96.325   16.570   31.903   8.5499   33.551   12.031   30.222   12.152   99.455   22.865   93.195   23.989 6.260239 33.14081 
1 1 1   -8   33   25 o   52.192   15.257   0.2309   8.2181 -15.1563   11.862   14.432   11.396   37.993   18.440   66.390   24.313 -28.39785 30.51497 
1 1 1   -8   33   26 o   79.139   22.677   20.858   14.367   36.712   25.013   13.052   17.552   90.620   35.359   67.659   28.403 22.96104 45.35420 
1 1 1   -8   33   27 o   59.265   18.433  -2.7458   13.673 -39.0766   22.185   19.507   17.362   45.090   22.493   73.439   29.210 -28.34903 36.86688 
1 1 1   -8   33   28 o   51.013   17.194  -7.2469   13.111 -10.5270   19.838  -4.7027   17.471   50.825   24.466   51.202   24.165 -0.3769302 34.38784 
1 1 1   -8   33   29 o   47.362   21.486   1.6305   11.911   1.6305   11.911   0.0000   0.0000   47.362   21.486  ?   ?       ?      ? 
1 1 1   -8   33   30 f   55.192   17.000   7.6255   9.1100   8.2853   10.888   6.0856   16.634   54.091   22.513   56.293   25.478 -2.202003 33.99969 
1 1 1   -8   33   31 o   91.914   17.577   32.664   9.2357   24.685   13.240   40.227   12.890   78.186   26.401  105.641   23.213 -27.45499 35.15466 
1 1 1   -8   33   32 o   89.650   17.219   31.371   8.5273   30.546   11.468   32.393   12.753   89.508   23.434   89.792   25.236 -0.2835236 34.43873 
1 1 1   -8   33   33 o   47.657   15.219   2.6404   8.4507   6.2751   11.637  -1.4151   12.292   50.666   22.209   44.649   20.813 6.017540 30.43735 
1 1 1   -8   34    1 o  110.036   20.476   38.061   11.727   0.0000   0.0000   38.061   11.727  ?   ?   110.036   20.476      ?      ? 
1 1 1   -8   34    2 o   80.875   23.778   21.775   11.082   0.0000   0.0000   21.775   11.082  ?   ?    80.875   23.778      ?      ? 
1 1 1   -8   34    3 o  102.025   15.737   30.482   8.6759   0.0000   0.0000   30.482   8.6759  ?   ?   102.025   15.737      ?      ? 
1 1 1   -8   34    4 o   61.564   20.155   11.681   7.7291   0.0000   0.0000   11.681   7.7291  ?   ?    61.564   20.155      ?      ? 
1 1 1   -8   34    5 o   43.623   18.459   1.9805   7.5091   0.0000   0.0000   1.9805   7.5091  ?   ?    43.623   18.459      ?      ? 
1 1 1   -8   34    6 o  118.531   14.057   40.553   9.0033   0.0000   0.0000   40.553   9.0033  ?   ?   118.531   14.057      ?      ? 
1 1 1   -8   34    7 o  139.657   10.116   55.337   7.3752   60.878   12.321   52.243   9.2069  143.946   15.840  135.367   12.587 8.579117 20.23169 
1 1 1   -8   34    8 o   44.198   14.112  -1.9002   6.8216  -1.6640   11.674  -2.0227   8.4062   47.780   21.510   40.617   18.272 7.163345 28.22349 
1 1 1   -8   34    9 o  161.848   9.1485   71.873   7.6476   85.608   13.296   65.082   9.3489  171.920   14.312  151.775   11.399 20.14493 18.29699 
1 1 1   -8   34   10 o   74.704   16.726   16.810   8.2182   7.0224   10.982   29.267   12.390   56.315   22.936   93.093   24.351 -36.77864 33.45183 
1 1 1   -8   34   11 o   46.203   14.728  -1.8351   7.6434  -2.2071   9.9426  -1.2976   11.951   43.836   19.782   48.570   21.824 -4.733372 29.45574 
1 1 1   -8   34   12 o   85.443   24.891   25.051   12.193   0.0000   0.0000   25.051   12.193  ?   ?    85.443   24.891      ?      ? 
1 1 1   -8   34   13 o   51.114   15.625   2.3883   8.0302   5.8684   11.037  -1.5265   11.706   54.550   22.682   47.679   21.495 6.870682 31.24915 
1 1 1   -8   34   14 o   57.296   16.040   6.5964   7.8560  -1.2700   10.721   15.719   11.545   45.851   20.630   68.741   24.567 -22.88945 32.07997 
1 1 1   -8   34   15 o   55.071   15.702   5.8628   7.4807  -0.4160   10.025   13.750   11.236   45.124   20.152   65.018   24.085 -19.89402 31.40412 
1 1 1   -8   34   16 o   80.338   16.950   22.510   7.8863   19.937   10.526   25.802   11.907   75.615   23.384   85.060   24.544 -9.444977 33.90011 
1 1 1   -8   34   17 o   83.954   17.346   25.455   8.4231   27.586   11.138   22.608   12.874   89.436   22.937   78.473   26.027 10.96339 34.69154 
1 1 1   -8   34   18 o   55.186   16.428   6.3551   8.3096   7.8023   10.734   4.1905   13.127   55.879   22.708   54.492   23.745 1.387165 32.85527 
1 1 1   -8   34   19 o   35.063   12.287 -22.9812   8.2710 -29.7465   10.855 -13.6163   12.771   29.531   14.870   40.595   19.564 -11.06408 24.57365 
1 1 1   -8   34   20 o   38.349   13.190 -16.9100   8.6463 -22.3317   11.821 -10.6722   12.680   34.454   17.056   42.244   20.125 -7.790436 26.38041 
1 1 1   -8   34   21 o   89.205   18.149   28.413   9.2402   30.032   12.896   26.705   13.246   92.310   25.164   86.099   26.160 6.211563 36.29831 
1 1 1   -8   34   22 o   54.069   18.040 -16.2157   15.021 -47.5225   22.644   8.3851   20.073   43.507   21.850   64.631   28.712 -21.12375 36.08078 
1 1 1   -8   34   23 o   60.637   19.503   5.6664   14.003   1.2336   22.036   8.6689   18.136   59.614   27.815   61.659   27.347 -2.045219 39.00667 
1 1 1   -8   34   24 o   57.399   18.976   4.5103   14.315   5.7140   23.135   3.7635   18.223   59.381   27.959   55.417   25.664 3.963909 37.95171 
1 1 1   -8   34   25 o   60.453   19.173   10.487   14.119  -9.2793   23.473   21.691   17.673   52.303   25.510   68.603   28.629 -16.30003 38.34512 
1 1 1   -8   34   26 o   45.475   14.736  -4.2832   8.6640   6.5120   12.151 -15.4469   12.357   53.413   23.060   37.538   18.352 15.87520 29.47119 
1 1 1   -8   34   27 o   52.877   15.992   6.4401   8.1134   5.8514   11.239   7.0808   11.725   51.946   22.300   53.809   22.929 -1.863167 31.98446 
1 1 1   -8   34   28 o   71.113   18.160   21.864   9.4294   25.367   11.539   14.824   16.358   79.788   24.452   62.438   26.856 17.35023 36.32017 
1 1 1   -8   34   29 o   53.715   16.907   6.1084   8.9964   2.0444   10.684   16.009   16.677   45.555   20.537   61.875   26.863 -16.31954 33.81447 
1 1 1   -8   35    1 o   50.916   19.672   6.8906   7.6835   0.0000   0.0000   6.8906   7.6835  ?   ?    50.916   19.672      ?      ? 
1 1 1   -8   35    2 o   40.074   18.898  -7.4338   10.645   0.0000   0.0000  -7.4338   10.645  ?   ?    40.074   18.898      ?      ? 
1 1 1   -8   35    3 o   70.090   24.456   17.141   11.387   0.0000   0.0000   17.141   11.387  ?   ?    70.090   24.456      ?      ? 
1 1 1   -8   35    4 o   29.027   14.207 -12.3224   7.4691   0.0000   0.0000 -12.3224   7.4691  ?   ?    29.027   14.207      ?      ? 
1 1 1   -8   35    5 o   41.035   17.887   0.7453   7.4543   0.0000   0.0000   0.7453   7.4543  ?   ?    41.035   17.887      ?      ? 
1 1 1   -8   35    6 o   49.142   20.026   5.2365   8.3779   0.0000   0.0000   5.2365   8.3779  ?   ?    49.142   20.026      ?      ? 
1 1 1   -8   35    7 o   70.921   16.675   17.270   7.2321   16.678   13.077   17.531   8.6805   69.416   25.930   72.426   20.974 -3.010239 33.35017 
1 1 1   -8   35    8 o  131.498   11.277   48.422   7.6302   64.054   13.545   41.155   9.2349  144.833   17.307  118.163   14.463 26.67003 22.55442 
1 1 1   -8   35    9 o   49.511   15.005   2.4260   7.5930  -7.4820   12.711   7.9234   9.4680   44.211   20.787   54.812   21.643 -10.60106 30.00911 
1 1 1   -8   35   10 o   34.627   11.974 -15.8022   7.3812 -15.6712   11.075 -15.9069   9.9005   36.008   17.554   33.246   16.290 2.762638 23.94794 
1 1 1   -8   35   11 o  138.428   18.854   59.424   14.103   0.0000   0.0000   59.424   14.103  ?   ?   138.428   18.854      ?      ? 
1 1 1   -8   35   15 o   32.166   11.382 -26.5677   8.1330 -26.7733   10.770 -26.2950   12.406   30.376   15.229   33.956   16.920 -3.580118 22.76427 
1 1 1   -8   35   16 o   40.628   13.649  -9.1199   8.0453 -11.3585   10.752  -6.2723   12.127   37.565   18.065   43.690   20.466 -6.125042 27.29846 
1 1 1   -8   35   17 o  118.966   14.560   47.144   9.1261   47.457   12.488   46.786   13.370  121.311   19.050  116.621   22.023 4.690292 29.11918 
1 1 1   -8   35   18 o   76.904   22.208   29.272   15.555   13.980   22.061   44.392   21.937   63.809   29.060   89.999   33.591 -26.19041 44.41674 
1 1 1   -8   35   19 o   48.246   16.752 -15.4080   15.051 -13.5788   21.497 -17.1667   21.079   49.076   24.038   47.416   23.340 1.660217 33.50457 
1 1 1   -8   35   20 o   54.898   18.479  -1.6405   15.012   5.5113   21.981  -7.8919   20.551   58.639   27.496   51.156   24.695 7.482990 36.95781 
1 1 1   -8   35   21 o   56.707   18.689   1.1030   14.399 -10.9279   22.515   9.4279   18.729   52.657   25.522   60.756   27.309 -8.099594 37.37872 
1 1 1   -8   35   22 o   68.451   19.581   12.706   9.7287   5.7961   11.062   36.306   20.444   51.679   22.152   85.223   32.295 -33.54389 39.16210 
1 1 1   -8   35   23 f   39.003   13.533 -15.1289   9.2396 -15.7253   11.583 -14.0856   15.320   35.614   17.485   42.393   20.662 -6.779453 27.06698 
1 1 1   -8   35   24 o   64.162   17.850   17.369   9.2889   19.801   11.569   12.955   15.583   68.942   24.597   59.383   25.874 9.559425 35.69934 
1 1 1   -8   35   25 o   43.064   14.604  -8.3649   10.084  -0.2836   13.272 -19.4009   15.509   46.582   21.685   39.545   19.569 7.037651 29.20900 
1 1 1   -8   36    1 o   46.811   21.125  -0.2932   11.338   0.0000   0.0000  -0.2932   11.338  ?   ?    46.811   21.125      ?      ? 
1 1 1   -8   36    2 o   92.499   23.472   30.407   11.751   0.0000   0.0000   30.407   11.751  ?   ?    92.499   23.472      ?      ? 
1 1 1   -8   36    3 o   79.263   34.323   30.293   27.084   0.0000   0.0000   30.293   27.084  ?   ?    79.263   34.323      ?      ? 
1 1 1   -8   36    5 o   59.413   24.136   11.037   12.121   0.0000   0.0000   11.037   12.121  ?   ?    59.413   24.136      ?      ? 
1 1 1   -8   36    6 o   48.195   21.636   1.5244   11.718   0.0000   0.0000   1.5244   11.718  ?   ?    48.195   21.636      ?      ? 
1 1 1   -8   36    7 o   47.504   21.525   0.9060   11.912   0.0000   0.0000   0.9060   11.912  ?   ?    47.504   21.525      ?      ? 
1 1 1   -8   36    8 o   48.863   15.747  -6.1829   9.3644 -19.3964   11.925   15.074   15.125   34.632   17.141   63.094   26.420 -28.46266 31.49372 
1 1 1   -8   36    9 o   85.990   19.356   32.390   10.161   33.288   13.339   31.149   15.685   89.986   25.982   81.995   28.698 7.991753 38.71181 
1 1 1   -8   36   10 f   48.377   15.796  -0.1556   9.8645   5.0113   12.955  -7.2860   15.218   51.420   22.940   45.335   21.720 6.084541 31.59114 
1 1 1   -8   36   11 o   43.940   14.772  -5.5652   9.3244  -4.6216   11.786  -7.1441   15.246   42.322   19.935   45.557   21.803 -3.235306 29.54340 
1 1 1   -8   36   12 o   55.761   16.887   2.9885   9.4521  -8.6419   12.014   21.881   15.312   40.400   19.340   71.122   27.689 -30.72173 33.77494 
1 1 1   -8   36   13 o   73.095   29.520   23.761   18.017   0.0000   0.0000   23.761   18.017  ?   ?    73.095   29.520      ?      ? 
1 1 1   -8   36   18 o   50.995   16.594   3.3575   10.270   3.2703   12.926   3.5068   16.911   49.261   22.361   52.729   24.523 -3.467304 33.18785 
1 1 1   -8   36   19 o   80.558   19.779   29.331   10.994   17.608   14.366   45.901   17.080   63.594   26.105   97.522   29.722 -33.92753 39.55836 
1 1 1   -8   37    1 o   46.176   19.440   4.7434   8.2600   0.0000   0.0000   4.7434   8.2600  ?   ?    46.176   19.440      ?      ? 
1 1 1   -8   37    2 o   82.848   18.957   23.576   8.3030   0.0000   0.0000   23.576   8.3030  ?   ?    82.848   18.957      ?      ? 
1 1 1   -8   37    3 o   43.301   18.803   2.7290   8.1735   0.0000   0.0000   2.7290   8.1735  ?   ?    43.301   18.803      ?      ? 
1 1 1   -8   37    4 o   62.563   23.121   14.960   10.343   0.0000   0.0000   14.960   10.343  ?   ?    62.563   23.121      ?      ? 
1 1 1   -8   37    5 o   67.858   24.566   18.853   11.586   0.0000   0.0000   18.853   11.586  ?   ?    67.858   24.566      ?      ? 
1 1 1   -8   37    6 o   38.897   17.602  -0.4593   7.9354   0.0000   0.0000  -0.4593   7.9354  ?   ?    38.897   17.602      ?      ? 
1 1 1   -8   37    7 o   42.119   18.378   2.4267   7.8883   0.0000   0.0000   2.4267   7.8883  ?   ?    42.119   18.378      ?      ? 
1 1 1   -8   37    8 o   76.069   24.144   23.769   11.148   0.0000   0.0000   23.769   11.148  ?   ?    76.069   24.144      ?      ? 
1 1 1   -8   37    9 o   73.213   24.438   22.465   11.343   0.0000   0.0000   22.465   11.343  ?   ?    73.213   24.438      ?      ? 
1 1 1   -7    0    1 o   68.005   3.1283   12.654   1.6100   12.654   1.6100   12.654   1.6100   68.005   4.4241   68.005   4.4241 0.000000 0.000000 
1 1 1   -7    0    2 o  108.212   2.9455   31.780   2.4276   31.780   2.4276   31.780   2.4276  108.212   4.1655  108.212   4.1655 0.000000 0.000000 
1 1 1   -7    0    3 o  939.720   11.295  2389.43   81.062  2389.43   81.062  2389.43   81.062  939.720   15.974  939.720   15.974 0.000000 0.000000 
1 1 1   -7    0    4 o  686.560   8.4035  1275.12   44.060  1275.12   44.060  1275.12   44.060  686.560   11.884  686.560   11.884 0.000000 0.000000 
1 1 1   -7    0    5 o  906.350   10.908  2222.65   75.505  2222.65   75.505  2222.65   75.505  906.350   15.427  906.350   15.427 0.000000 0.000000 
1 1 1   -7    0    6 o  1830.51   21.684  9079.90  303.138  9079.90  303.138  9079.90  303.138  1830.51   30.666  1830.51   30.666 0.000000 0.000000 
1 1 1   -7    0    7 o  1784.21   21.144  8623.90  288.112  8623.90  288.112  8623.90  288.112  1784.21   29.902  1784.21   29.902 0.000000 0.000000 
1 1 1   -7    0    8 o  987.523   11.848  2638.51   89.356  2638.51   89.356  2638.51   89.356  987.523   16.756  987.523   16.756 0.000000 0.000000 
1 1 1   -7    0    9 o  538.803   6.7821  785.243   27.905  785.243   27.905  785.243   27.905  538.803   9.5914  538.803   9.5914 0.000000 0.000000 
1 1 1   -7    0   10 o  2259.37   26.735 13840.01  461.311 13840.01  461.311 13840.01  461.311  2259.37   37.809  2259.37   37.809 0.000000 0.000000 
1 1 1   -7    0   11 o  137.057   3.3495   50.936   3.4987   50.936   3.4987   50.936   3.4987  137.057   4.7369  137.057   4.7369 0.000000 0.000000 
1 1 1   -7    0   12 o  617.732   7.6676  1032.20   36.171  1032.20   36.171  1032.20   36.171  617.732   10.844  617.732   10.844 0.000000 0.000000 
1 1 1   -7    0   13 o   97.592   3.7548   25.962   2.7813   25.962   2.7813   25.962   2.7813   97.592   5.3101   97.592   5.3101 0.000000 0.000000 
1 1 1   -7    0   14 o  630.057   7.8174  1073.87   37.613  1073.87   37.613  1073.87   37.613  630.057   11.055  630.057   11.055 0.000000 0.000000 
1 1 1   -7    0   15 o  632.028   7.8418  1080.61   37.849  1080.61   37.849  1080.61   37.849  632.028   11.090  632.028   11.090 0.000000 0.000000 
1 1 1   -7    0   16 o  929.269   11.216  2336.93   79.595  2336.93   79.595  2336.93   79.595  929.269   15.861  929.269   15.861 0.000000 0.000000 
1 1 1   -7    0   17 o   79.324   4.7045   17.360   2.8057   17.360   2.8057   17.360   2.8057   79.324   6.6532   79.324   6.6532 0.000000 0.000000 
1 1 1   -7    0   18 o  693.193   8.5476  1300.44   45.248  1300.44   45.248  1300.44   45.248  693.193   12.088  693.193   12.088 0.000000 0.000000 
1 1 1   -7    0   19 o  1237.78   14.810  4152.94  139.999  4152.94  139.999  4152.94  139.999  1237.78   20.945  1237.78   20.945 0.000000 0.000000 
1 1 1   -7    0   20 o  487.239   6.3090  642.357   23.474  642.357   23.474  642.357   23.474  487.239   8.9223  487.239   8.9223 0.000000 0.000000 
1 1 1   -7    0   21 o   46.861   8.5953   7.0106   2.6600   7.0106   2.6600   7.0106   2.6600   46.861   12.156   46.861   12.156 0.000000 0.000000 
1 1 1   -7    0   25 o  533.277   6.8527  769.614   27.906  769.614   27.906  769.614   27.906  533.277   9.6912  533.277   9.6912 0.000000 0.000000 
1 1 1   -7    0   26 o  321.502   4.8415  279.736   11.883  279.736   11.883  279.736   11.883  321.502   6.8469  321.502   6.8469 0.000000 0.000000 
1 1 1   -7    0   27 o  643.393   8.0570  1120.38   39.586  1120.38   39.586  1120.38   39.586  643.393   11.394  643.393   11.394 0.000000 0.000000 
1 1 1   -7    0   28 o  1175.81   14.108  3746.55  126.684  3746.55  126.684  3746.55  126.684  1175.81   19.952  1175.81   19.952 0.000000 0.000000 
1 1 1   -7    0   29 o   65.028   9.8186   12.877   4.2867   12.877   4.2867   12.877   4.2867   65.028   13.886   65.028   13.886 0.000000 0.000000 
1 1 1   -7    0   30 o  551.148   7.1128  821.921   29.935  821.921   29.935  821.921   29.935  551.148   10.059  551.148   10.059 0.000000 0.000000 
1 1 1   -7    0   31 o   39.439   13.576   6.1884   4.8097   6.1884   4.8097   6.1884   4.8097   39.439   19.199   39.439   19.199 0.000000 0.000000 
1 1 1   -7    0   32 o  693.396   8.6468  1301.00   45.786  1301.00   45.786  1301.00   45.786  693.396   12.228  693.396   12.228 0.000000 0.000000 
1 1 1   -7    0   33 o  284.441   4.8410  219.020   10.509  219.020   10.509  219.020   10.509  284.441   6.8462  284.441   6.8462 0.000000 0.000000 
1 1 1   -7    0   34 o  1908.09   22.698  9889.61  330.756  9889.61  330.756  9889.61  330.756  1908.09   32.099  1908.09   32.099 0.000000 0.000000 
1 1 1   -7    0   35 o  359.256   5.4515  349.285   14.951  349.285   14.951  349.285   14.951  359.256   7.7096  359.256   7.7096 0.000000 0.000000 
1 1 1   -7    0   36 o  258.607   5.0197  181.144   9.9033  181.144   9.9033  181.144   9.9033  258.607   7.0989  258.607   7.0989 0.000000 0.000000 
1 1 1   -7    0   37 o  392.174   5.7642  416.239   17.258  416.239   17.258  416.239   17.258  392.174   8.1517  392.174   8.1517 0.000000 0.000000 
1 1 1   -7    0   38 o  475.668   6.5603  612.332   23.827  612.332   23.827  612.332   23.827  475.668   9.2777  475.668   9.2777 0.000000 0.000000 
1 1 1   -7    0   39 f  767.100   9.5395  1593.12   55.883  1593.12   55.883  1593.12   55.883  767.100   13.491  767.100   13.491 0.000000 0.000000 
1 1 1   -7    0   40 o  349.387   5.7823  330.510   15.419  330.510   15.419  330.510   15.419  349.387   8.1773  349.387   8.1773 0.000000 0.000000 
1 1 1   -7    0   41 o  479.325   6.7748  621.901   24.793  621.901   24.793  621.901   24.793  479.325   9.5810  479.325   9.5810 0.000000 0.000000 
1 1 1   -7    0   43 o  306.036   5.6635  253.718   13.225  253.718   13.225  253.718   13.225  306.036   8.0094  306.036   8.0094 0.000000 0.000000 
1 1 1   -7    0   44 o  208.954   5.8559  118.619   9.3174  118.619   9.3174  118.619   9.3174  208.954   8.2815  208.954   8.2815 0.000000 0.000000 
1 1 1   -7    0   45 o  455.325   6.4739  561.460   22.506  561.460   22.506  561.460   22.506  455.325   9.1555  455.325   9.1555 0.000000 0.000000 
1 1 1   -7    0   46 o  223.140   5.7113  135.190   9.7102  135.190   9.7102  135.190   9.7102  223.140   8.0771  223.140   8.0771 0.000000 0.000000 
1 1 1   -7    0   47 o  618.574   8.0074  1037.36   37.823  1037.36   37.823  1037.36   37.823  618.574   11.324  618.574   11.324 0.000000 0.000000 
1 1 1   -7    0   48 o  188.143   6.1686   96.414   8.8256   96.414   8.8256   96.414   8.8256  188.143   8.7237  188.143   8.7237 0.000000 0.000000 
1 1 1   -7    0   49 o  177.491   6.3805   85.951   8.6033   85.951   8.6033   85.951   8.6033  177.491   9.0234  177.491   9.0234 0.000000 0.000000 
1 1 1   -7    0   50 o  720.262   9.1025  1410.33   50.066  1410.33   50.066  1410.33   50.066  720.262   12.873  720.262   12.873 0.000000 0.000000 
1 1 1   -7    0   53 o  104.862   9.6035   31.407   7.3399   31.407   7.3399   31.407   7.3399  104.862   13.581  104.862   13.581 0.000000 0.000000 
1 1 1   -7    0   54 o   68.744   15.155   16.223   6.9795   16.223   6.9795   16.223   6.9795   68.744   21.432   68.744   21.432 0.000000 0.000000 
1 1 1   -7    0   55 o  408.545   8.6732  456.306   27.023  456.306   27.023  456.306   27.023  408.545   12.266  408.545   12.266 0.000000 0.000000 
1 1 1   -7    0   56 o  213.339   8.3089  125.248   13.452  125.248   13.452  125.248   13.452  213.339   11.751  213.339   11.751 0.000000 0.000000 
1 1 1   -7    0   57 o  184.082   8.9712   93.964   12.482   93.964   12.482   93.964   12.482  184.082   12.687  184.082   12.687 0.000000 0.000000 
1 1 1   -7    0   58 o  325.208   5.6996  287.960   14.145  287.960   14.145  287.960   14.145  325.208   8.0604  325.208   8.0604 0.000000 0.000000 
1 1 1   -7    0   59 o  112.447   9.1383   36.027   7.5836   36.027   7.5836   36.027   7.5836  112.447   12.924  112.447   12.924 0.000000 0.000000 
1 1 1   -7    0   60 o   43.524   16.322   7.9065   7.3048   7.9065   7.3048   7.9065   7.3048   43.524   23.083   43.524   23.083 0.000000 0.000000 
1 1 1   -7    0   61 o   36.565   15.281   4.6122   7.3408   4.6122   7.3408   4.6122   7.3408   36.565   21.610   36.565   21.610 0.000000 0.000000 
1 1 1   -7    0   62 o  153.299   7.3741   65.302   8.5470   65.302   8.5470   65.302   8.5470  153.299   10.429  153.299   10.429 0.000000 0.000000 
1 1 1   -7    0   63 o   76.502   15.261   19.973   7.7255   19.973   7.7255   19.973   7.7255   76.502   21.583   76.502   21.583 0.000000 0.000000 
1 1 1   -7    0   64 o  102.639   10.872   31.255   7.9634   31.255   7.9634   31.255   7.9634  102.639   15.375  102.639   15.375 0.000000 0.000000 
1 1 1   -7    0   65 o   43.687   16.731   8.2684   7.8250   8.2684   7.8250   8.2684   7.8250   43.687   23.661   43.687   23.661 0.000000 0.000000 
1 1 1   -7    0   66 o   28.640   13.531  -1.5402   8.1416  -1.5402   8.1416  -1.5402   8.1416   28.640   19.136   28.640   19.136 0.000000 0.000000 
1 1 1   -7    0   67 o  107.948   12.092   35.382   9.2257   35.382   9.2257   35.382   9.2257  107.948   17.101  107.948   17.101 0.000000 0.000000 
1 1 1   -7    0   68 o  341.958   6.3275  323.127   16.510  323.127   16.510  323.127   16.510  341.958   8.9485  341.958   8.9485 0.000000 0.000000 
1 1 1   -7    0   69 o  173.992   7.9253   85.796   10.438   85.796   10.438   85.796   10.438  173.992   11.208  173.992   11.208 0.000000 0.000000 
1 1 1   -7    0   70 o  275.048   6.2560  210.712   13.119  210.712   13.119  210.712   13.119  275.048   8.8473  275.048   8.8473 0.000000 0.000000 
1 1 1   -7    1    1 o  901.003   10.839  2195.61   52.767  2180.38   74.104  2211.29   75.156  897.836   15.274  904.170   15.382 -6.334473 21.67749 
1 1 1   -7    1    2 o  616.101   7.6032  1026.10   25.312  1021.91   35.662  1030.35   35.933  614.833   10.734  617.368   10.771 -2.534912 15.20636 
1 1 1   -7    1    3 o  967.419   11.606  2531.23   60.659  2501.19   84.739  2562.80   86.871  961.542   16.309  973.297   16.517 -11.75568 23.21221 
1 1 1   -7    1    4 f  1777.76   21.080  8574.33  202.488  8515.08  284.272  8635.35  288.498  1771.56   29.696  1783.96   29.927 -12.40894 42.16010 
1 1 1   -7    1    5 f  1424.40   16.925  5493.91  130.224  5413.29  181.290  5579.86  187.182  1413.64   23.733  1435.16   24.137 -21.52087 33.84997 
1 1 1   -7    1    6 o  1223.59   14.577  4050.19   96.333  3980.29  133.746  4125.55  138.869  1212.65   20.411  1234.53   20.817 -21.88403 29.15379 
1 1 1   -7    1    7 o  1177.88   14.047  3754.00   89.399  3725.08  125.418  3783.87  127.465  1173.28   19.782  1182.49   19.948 -9.206665 28.09396 
1 1 1   -7    1    8 o  948.705   11.400  2434.13   58.443  2437.83   82.761  2430.45   82.543  949.423   16.132  947.987   16.113 1.436462 22.80068 
1 1 1   -7    1    9 o  648.270   7.9859  1135.88   27.973  1127.57   39.270  1144.43   39.856  645.867   11.252  650.673   11.335 -4.806091 15.97177 
1 1 1   -7    1   10 o  1434.55   17.043  5571.80  132.106  5603.44  187.948  5540.92  185.725  1438.56   24.178  1430.53   24.026 8.028564 34.08563 
1 1 1   -7    1   11 o  784.506   9.5285  1664.01   40.393  1665.94   57.199  1662.09   57.051  784.959   13.485  784.053   13.466 0.9067993 19.05702 
1 1 1   -7    1   12 o  1269.51   15.127  4361.37  103.741  4303.87  144.638  4422.29  148.879  1260.91   21.228  1278.10   21.556 -17.19165 30.25406 
1 1 1   -7    1   13 o  887.736   10.714  2130.02   51.367  2089.03   71.193  2174.52   74.187  878.845   14.991  896.627   15.312 -17.78156 21.42874 
1 1 1   -7    1   14 o  304.272   4.4376  250.125   7.2951  246.622   10.206  253.785   10.431  302.095   6.2523  306.450   6.2991 -4.355133 8.875226 
1 1 1   -7    1   15 o  230.604   3.8874  143.657   4.8430  139.266   6.7890  148.206   6.9106  227.017   5.5343  234.191   5.4608 -7.173721 7.774883 
1 1 1   -7    1   16 o  184.574   3.6848   92.044   3.6748   90.508   5.1585   93.626   5.2363  183.011   5.2162  186.138   5.2060 -3.126465 7.369619 
1 1 1   -7    1   17 o  119.504   3.7978   38.594   2.4518   38.645   3.5087   38.545   3.4276  119.582   5.4299  119.427   5.3113 0.1553497 7.595604 
1 1 1   -7    1   18 o  163.709   3.6995   72.463   3.2712   74.114   4.5963   70.768   4.6568  165.601   5.1363  161.817   5.3257 3.783325 7.398961 
1 1 1   -7    1   19 o  601.382   7.5286  978.358   24.465  977.736   34.588  978.980   34.610  601.191   10.647  601.573   10.647 -0.3822632 15.05723 
1 1 1   -7    1   20 o  846.672   10.286  1941.23   47.055  1959.84   67.197  1923.33   65.914  850.641   14.619  842.702   14.475 7.938354 20.57265 
1 1 1   -7    1   21 o  345.937   4.9261  323.151   9.2020  333.231   13.326  313.964   12.722  351.085   7.0243  340.788   6.9085 10.29752 9.852299 
1 1 1   -7    1   22 o  677.417   16.822  1244.37   61.577  1244.37   61.577   0.0000   0.0000  677.417   16.822  ?   ?       ?      ? 
1 1 1   -7    1   24 o  736.224   18.187  1471.62   72.352  1471.62   72.352   0.0000   0.0000  736.224   18.187  ?   ?       ?      ? 
1 1 1   -7    1   25 o  518.827   6.6943  728.176   18.768  727.460   26.543  728.892   26.541  518.572   9.4722  519.083   9.4622 -0.5106812 13.38864 
1 1 1   -7    1   26 o  516.653   6.6747  721.983   18.633  727.148   26.528  716.954   26.178  518.474   9.4687  514.831   9.4100 3.643188 13.34933 
1 1 1   -7    1   27 o  299.068   4.6943  241.670   7.5844  236.660   10.580  246.966   10.878  295.882   6.6172  302.254   6.6603 -6.372711 9.388677 
1 1 1   -7    1   28 o  1017.51   12.279  2806.26   67.513  2813.05   95.685  2799.52   95.272  1018.74   17.382  1016.29   17.348 2.446594 24.55796 
1 1 1   -7    1   29 o  699.732   8.6862  1324.88   32.843  1329.81   46.629  1320.01   46.266  701.024   12.309  698.441   12.259 2.582886 17.37234 
1 1 1   -7    1   30 o  703.479   8.7392  1338.68   33.215  1352.92   47.505  1325.06   46.459  707.132   12.432  699.826   12.285 7.306580 17.47839 
1 1 1   -7    1   31 o  804.386   9.8697  1750.64   42.894  1767.97   61.284  1734.00   60.057  808.282   14.031  800.491   13.884 7.790527 19.73941 
1 1 1   -7    1   32 o  1141.17   13.715  3528.26   84.564  3561.57  120.781  3496.24  118.437  1146.43   19.497  1135.90   19.296 10.52893 27.43072 
1 1 1   -7    1   33 o  953.838   11.570  2462.88   59.617  2498.99   85.560  2428.80   83.116  960.615   16.483  947.060   16.241 13.55408 23.14007 
1 1 1   -7    1   34 o  241.406   4.8664  156.996   6.3362  166.277   9.3139  148.999   8.6451  248.025   6.9494  234.787   6.8141 13.23769 9.732699 
1 1 1   -7    1   35 o  451.872   6.1875  551.531   15.100  537.002   20.921  567.329   21.815  445.668   8.6874  458.076   8.8132 -12.40756 12.37508 
1 1 1   -7    1   36 o  975.666   11.842  2577.69   62.408  2624.60   89.877  2534.01   86.722  984.209   16.900  967.122   16.594 17.08643 23.68481 
1 1 1   -7    1   37 o  1070.23   12.942  3106.69   74.844  3109.19  105.947  3104.19  105.745  1070.66   18.312  1069.80   18.292 0.8558350 25.88351 
1 1 1   -7    1   38 o  446.524   8.9382  539.219   21.567   0.0000   0.0000  539.219   21.567  ?   ?   446.524   8.9382      ?      ? 
1 1 1   -7    1   39 o  962.163   11.725  2509.41   60.952  2530.94   86.960  2488.60   85.459  966.206   16.656  958.120   16.506 8.086365 23.44925 
1 1 1   -7    1   40 o  416.638   6.1694  469.458   13.889  466.213   19.514  472.790   19.773  415.180   8.6978  418.096   8.7518 -2.915985 12.33882 
1 1 1   -7    1   41 o  277.472   5.7190  207.799   8.5636  216.012   12.509  200.553   11.749  282.619   8.1906  272.325   7.9838 10.29391 11.43800 
1 1 1   -7    1   42 o  367.798   5.8720  365.937   11.670  366.994   16.561  364.894   16.448  368.325   8.3206  367.271   8.2879 1.053497 11.74403 
1 1 1   -7    1   43 o  276.052   5.6928  205.848   8.4821  200.339   11.664  212.030   12.357  272.144   7.9316  279.961   8.1683 -7.817505 11.38559 
1 1 1   -7    1   44 o  408.726   6.1361  451.962   13.549  462.546   19.438  441.960   18.895  413.376   8.7018  404.077   8.6538 9.299072 12.27227 
1 1 1   -7    1   45 o  518.464   7.0190  728.212   19.664  728.951   27.846  727.477   27.773  518.725   9.9345  518.203   9.9181 0.5221558 14.03790 
1 1 1   -7    1   46 o  218.284   5.7663  128.658   6.7923  136.107   9.9210  122.086   9.3188  224.214   8.1885  212.355   8.1210 11.85901 11.53265 
1 1 1   -7    1   47 o  264.715   5.5244  189.749   7.9017  192.995   11.234  186.571   11.117  266.957   7.7875  262.473   7.8379 4.484680 11.04888 
1 1 1   -7    1   48 o  350.790   5.7300  333.296   10.859  340.094   15.562  326.844   15.160  354.272   8.1290  347.308   8.0779 6.963470 11.46008 
1 1 1   -7    1   49 o  184.311   6.2443   91.938   6.2095   99.339   9.0086   85.240   8.5708  191.370   8.7116  177.251   8.9484 14.11880 12.48860 
1 1 1   -7    1   50 o   42.330   13.109  -6.3281   5.7815   4.6757   9.8357 -12.1372   7.1464   55.214   21.978   29.445   14.297 25.76889 26.21862 
1 1 1   -7    1   53 o  290.093   6.8807  228.444   10.143  232.207   17.713  226.608   12.372  291.433   11.248  288.754   7.9288 2.679077 13.76144 
1 1 1   -7    1   54 o   59.692   13.068   9.3056   5.0417   15.206   7.1477   3.4636   7.1124   72.411   18.268   46.973   18.692 25.43779 26.13646 
1 1 1   -7    1   55 o  330.299   6.9363  297.037   11.714  294.509   14.377  302.027   20.202  328.835   8.0910  331.762   11.269 -2.927063 13.87268 
1 1 1   -7    1   56 o  200.647   8.3752  109.835   9.0806   0.0000   0.0000  109.835   9.0806  ?   ?   200.647   8.3752      ?      ? 
1 1 1   -7    1   57 o  129.654   10.219   46.939   6.5024   46.734   11.988   47.024   7.7400  128.591   17.252  130.717   10.958 -2.125748 20.43769 
1 1 1   -7    1   58 o  147.090   8.8293   60.729   6.6623   62.187   8.2853   58.063   11.207  150.290   10.202  143.890   14.413 6.399490 17.65862 
1 1 1   -7    1   59 o  305.678   5.6860  254.617   9.3680  271.410   13.869  240.526   12.704  314.853   8.1516  296.504   7.9293 18.34930 11.37198 
1 1 1   -7    1   60 o  177.878   6.4074   86.898   6.1395   96.839   8.8760   77.778   8.5011  187.724   8.7501  168.033   9.3625 19.69101 12.81488 
1 1 1   -7    1   61 o  236.263   5.8230  152.585   7.4149  164.570   10.973  142.515   10.059  244.728   8.2978  227.798   8.1715 16.93088 11.64595 
1 1 1   -7    1   62 o  176.788   6.6127   86.479   6.3164   86.671   9.0043   86.293   8.8629  176.952   9.4169  176.624   9.2862 0.3280334 13.22536 
1 1 1   -7    1   63 o  168.451   6.9338   78.590   6.2754   90.893   9.1526   67.676   8.6208  181.061   9.3548  155.842   10.237 25.21902 13.86765 
1 1 1   -7    1   64 o   63.570   13.886   12.457   5.4633   8.1097   7.9338   16.378   7.5343   54.722   20.245   72.417   19.012 -17.69525 27.77235 
1 1 1   -7    1   65 o  140.074   8.1375   55.396   6.1143   46.990   8.4436   64.663   8.8658  128.558   12.155  151.590   10.823 -23.03259 16.27508 
1 1 1   -7    1   66 o  110.037   10.256   35.786   6.0952   37.219   8.6770   34.391   8.5639  112.348   14.293  107.727   14.712 4.620827 20.51129 
1 1 1   -7    1   67 o  136.498   9.0657   53.678   6.6477   61.417   9.5897   46.518   9.2235  146.420   12.120  126.576   13.485 19.84424 18.13149 
1 1 1   -7    1   68 o  126.562   9.8837   47.649   6.7066   55.542   9.7209   40.481   9.2648  137.263   13.106  115.862   14.798 21.40086 19.76733 
1 1 1   -7    1   69 o  153.593   8.3914   69.030   6.9639   68.011   9.8463   70.050   9.8505  152.367   11.959  154.818   11.775 -2.451385 16.78270 
1 1 1   -7    1   70 o  100.114   11.554   32.260   6.2496   32.771   8.9265   31.769   8.7525  100.851   16.380   99.377   16.299 1.474152 23.10758 
1 1 1   -7    2    1 o  1001.63   12.014  2714.34   65.024  2706.50   91.759  2722.26   92.157  1000.18   16.978  1003.08   17.002 -2.906189 24.02751 
1 1 1   -7    2    2 o  1270.03   21.400  4367.43  146.861   0.0000   0.0000  4367.43  146.861  ?   ?   1270.03   21.400      ?      ? 
1 1 1   -7    2    3 o  744.968   9.0675  1499.80   36.486  1474.31   50.718  1527.15   52.529  738.415   12.711  751.521   12.935 -13.10669 18.13509 
1 1 1   -7    2    4 o  1179.07   14.064  3762.59   89.598  3738.68  125.886  3787.14  127.551  1175.28   19.822  1182.86   19.955 -7.578979 28.12711 
1 1 1   -7    2    5 o  765.514   9.3022  1583.15   38.454  1549.72   53.226  1619.65   55.617  757.074   13.011  773.955   13.299 -16.88074 18.60448 
1 1 1   -7    2    6 o  894.925   10.793  2165.88   52.192  2161.54   73.736  2170.24   73.887  894.027   15.263  895.824   15.264 -1.797241 21.58549 
1 1 1   -7    2    7 o  828.053   10.020  1852.06   44.797  1808.97   61.866  1899.55   64.951  817.948   13.997  838.159   14.341 -20.21149 20.03935 
1 1 1   -7    2    8 o  748.196   9.1135  1513.30   36.844  1522.81   52.442  1504.02   51.774  750.518   12.931  745.875   12.846 4.643250 18.22692 
1 1 1   -7    2    9 o  1369.08   16.277  5073.54  120.408  5033.57  168.894  5114.85  171.707  1363.61   22.921  1374.55   23.117 -10.94226 32.55438 
1 1 1   -7    2   10 o  681.030   8.3592  1253.77   30.762  1256.08   43.583  1251.48   43.426  681.654   11.832  680.406   11.811 1.247864 16.71845 
1 1 1   -7    2   11 o  998.030   11.977  2694.22   64.592  2683.69   91.003  2704.90   91.694  996.068   16.908  999.992   16.969 -3.924194 23.95439 
1 1 1   -7    2   12 o  806.292   9.7840  1757.79   42.624  1771.73   60.769  1744.30   59.802  809.435   13.894  803.149   13.779 6.286682 19.56794 
1 1 1   -7    2   13 o  1043.77   12.513  2947.96   70.575  2936.69   99.406  2959.41  100.215  1041.76   17.659  1045.77   17.734 -4.015503 25.02646 
1 1 1   -7    2   14 o  766.086   9.3361  1587.09   38.648  1584.31   54.572  1589.89   54.742  765.413   13.194  766.758   13.212 -1.345337 18.67222 
1 1 1   -7    2   15 o  294.846   4.3929  234.932   6.9989  234.843   9.9297  235.020   9.8664  294.791   6.2335  294.902   6.1915 -0.1110840 8.785842 
1 1 1   -7    2   16 o  388.067   5.2644  406.950   11.038  411.847   15.778  402.256   15.447  390.352   7.4801  385.781   7.4099 4.570831 10.52888 
1 1 1   -7    2   17 o  1037.89   12.474  2918.78   69.955  2910.51   98.641  2927.14   99.225  1036.41   17.613  1039.36   17.667 -2.948364 24.94704 
1 1 1   -7    2   18 o  792.428   9.6633  1699.85   41.376  1710.11   58.893  1689.85   58.143  794.784   13.713  790.071   13.619 4.713257 19.32651 
1 1 1   -7    2   19 o  411.211   5.5200  457.161   12.266  454.699   17.291  459.654   17.402  410.097   7.8026  412.325   7.8103 -2.228180 11.04001 
1 1 1   -7    2   20 o  527.011   6.7373  750.635   19.175  767.142   27.697  735.438   26.574  532.566   9.6242  521.456   9.4308 11.10962 13.47461 
1 1 1   -7    2   21 o  952.655   14.045  2484.06   69.124  2394.14  115.110  2534.77   86.447  938.354   22.702  966.956   16.545 -28.60162 28.09069 
1 1 1   -7    2   24 o  389.492   7.6631  410.584   16.128  410.811   22.878  410.360   22.740  389.597   10.867  389.387   10.808 0.2099915 15.32627 
1 1 1   -7    2   25 o  157.430   4.1858   66.973   3.5598   66.190   4.9625   67.803   5.1093  156.483   5.8688  158.376   5.9701 -1.893402 8.371693 
1 1 1   -7    2   26 o  489.595   6.3991  648.327   16.929  648.829   23.980  647.829   23.904  489.783   9.0606  489.407   9.0388 0.3761597 12.79819 
1 1 1   -7    2   27 o  664.846   8.2810  1196.19   29.750  1197.73   42.152  1194.66   41.994  665.271   11.726  664.420   11.697 0.8506470 16.56191 
1 1 1   -7    2   28 o  620.433   7.8045  1041.36   26.165  1038.77   36.936  1043.97   37.070  619.659   11.031  621.207   11.043 -1.547607 15.60895 
1 1 1   -7    2   29 o  1004.44   12.133  2733.89   65.856  2727.40   92.941  2740.43   93.328  1003.25   17.144  1005.63   17.174 -2.387512 24.26681 
1 1 1   -7    2   30 o  1493.02   17.825  6056.83  143.804  6065.69  203.683  6048.03  203.058  1494.10   25.228  1491.94   25.187 2.163818 35.64919 
1 1 1   -7    2   31 o  401.542   5.6656  435.786   12.292  430.319   17.248  441.428   17.523  398.984   8.0002  404.101   8.0245 -5.116455 11.33121 
1 1 1   -7    2   32 o  461.018   6.2410  574.377   15.543  565.855   21.674  583.399   22.302  457.501   8.7671  464.535   8.8847 -7.034119 12.48203 
1 1 1   -7    2   33 f  860.116   10.506  2001.54   48.808  1967.60   67.843  2037.96   70.270  852.575   14.726  867.657   14.988 -15.08197 21.01158 
1 1 1   -7    2   34 o  111.209   6.8141   33.373   4.0882   34.603   5.9907   32.301   5.5930  113.121   9.8005  109.296   9.4700 3.824982 13.62830 
1 1 1   -7    2   35 o  492.392   6.5670  655.342   17.469  645.085   24.397  666.136   25.026  488.441   9.2433  496.343   9.3309 -7.901855 13.13409 
1 1 1   -7    2   36 o  196.419   5.2431  104.598   5.5477   96.459   7.9200  112.439   7.7733  188.890   7.7594  203.948   7.0534 -15.05779 10.48616 
1 1 1   -7    2   37 o  368.010   5.6230  366.076   11.179  370.497   16.039  361.899   15.589  370.168   8.0184  365.852   7.8853 4.315765 11.24596 
1 1 1   -7    2   38 o  774.732   9.6180  1625.07   40.261  1638.12   57.410  1612.43   56.476  777.787   13.660  771.678   13.544 6.109436 19.23591 
1 1 1   -7    2   39 o  552.209   7.3017  824.960   21.787  828.180   30.972  821.806   30.654  553.274   10.360  551.145   10.293 2.128540 14.60339 
1 1 1   -7    2   40 o  1003.52   12.209  2732.03   66.207  2725.42   93.393  2738.71   93.870  1002.31   17.243  1004.74   17.290 -2.429626 24.41867 
1 1 1   -7    2   41 o  839.447   10.367  1909.62   47.018  1927.58   67.154  1892.34   65.854  843.306   14.737  835.588   14.585 7.718018 20.73363 
1 1 1   -7    2   42 o  402.721   6.0806  438.655   13.229  444.270   18.957  433.325   18.470  405.228   8.6574  400.213   8.5408 5.015472 12.16126 
1 1 1   -7    2   43 o  480.755   6.7202  625.196   17.450  614.883   24.237  636.297   25.144  476.648   9.4099  484.861   9.5968 -8.212433 13.44041 
1 1 1   -7    2   44 o  399.715   6.0489  432.419   13.064  435.608   18.642  429.343   18.313  401.158   8.5996  398.271   8.5091 2.887482 12.09788 
1 1 1   -7    2   45 o  918.429   11.283  2294.94   55.994  2302.93   79.493  2287.07   78.886  920.002   15.990  916.855   15.922 3.146057 22.56558 
1 1 1   -7    2   46 o  730.994   9.2018  1451.19   36.341  1464.89   51.962  1438.06   50.845  734.348   13.095  727.641   12.931 6.706970 18.40360 
1 1 1   -7    2   47 o  201.249   5.8963  109.771   6.4025  108.841   9.2909  110.611   8.8354  200.422   8.5787  202.077   8.0914 -1.654984 11.79257 
1 1 1   -7    2   48 o  245.127   5.5510  162.077   7.3355  173.797   10.833  152.155   9.9684  253.268   7.9158  236.986   7.7842 16.28203 11.10194 
1 1 1   -7    2   49 o  263.964   5.5428  188.542   7.8990  197.130   11.468  180.790   10.896  269.670   7.8700  258.259   7.8074 11.41171 11.08565 
1 1 1   -7    2   50 o  304.954   7.8636  252.557   12.940  237.838   17.778  269.144   18.872  295.527   11.132  314.381   11.109 -18.85400 15.72714 
1 1 1   -7    2   51 o  125.254   17.961   43.311   12.157   43.311   12.157   0.0000   0.0000  125.254   17.961  ?   ?       ?      ? 
1 1 1   -7    2   52 o  154.256   14.355   65.383   11.965   65.383   11.965   0.0000   0.0000  154.256   14.355  ?   ?       ?      ? 
1 1 1   -7    2   53 o  189.747   8.7001   98.562   8.9154  102.230   12.871   95.180   12.361  193.130   12.333  186.365   12.274 6.765121 17.40021 
1 1 1   -7    2   54 o  320.148   6.9481  281.195   11.375  284.431   14.036  275.000   19.419  323.375   8.0322  316.921   11.340 6.453674 13.89610 
1 1 1   -7    2   55 o  194.656   7.5124  100.235   7.3819  113.896   13.377   94.253   8.8516  203.438   12.169  185.873   8.8129 17.56537 15.02482 
1 1 1   -7    2   56 f  256.370   6.9573  178.752   9.0490  183.604   15.884  176.421   11.010  258.349   11.378  254.391   8.0095 3.957611 13.91469 
1 1 1   -7    2   57 o  325.356   7.0172  291.263   11.642  287.838   20.032  293.010   14.307  323.073   11.475  327.640   8.0807 -4.567230 14.03444 
1 1 1   -7    2   58 o   93.211   12.938   24.643   6.0832   21.913   7.5527   29.685   10.264   86.565   16.752   99.856   19.721 -13.29111 25.87543 
1 1 1   -7    2   59 o   93.904   13.062   29.289   6.2525   38.940   8.0232   14.365   9.9775  118.165   12.565   69.642   22.904 48.52312 26.12453 
1 1 1   -7    2   60 o   40.504   12.310  -1.2004   5.0653   3.9846   7.4305  -5.7017   6.9233   47.549   19.044   33.458   15.604 14.09104 24.62017 
1 1 1   -7    2   61 o  210.019   6.0544  121.272   6.8675  123.829   9.9050  118.904   9.5301  212.114   8.6416  207.923   8.4822 4.191193 12.10886 
1 1 1   -7    2   62 o  115.158   8.8970   37.376   5.5308   38.133   8.0328   36.694   7.6265  116.183   12.795  114.133   12.366 2.050224 17.79407 
1 1 1   -7    2   63 o  182.803   6.4911   92.446   6.3998   94.362   9.3810   90.778   8.7529  184.457   9.4117  181.148   8.9419 3.309402 12.98217 
1 1 1   -7    2   64 o  236.081   6.0049  154.193   7.6579  150.080   10.851  158.274   10.809  232.859   8.6239  239.304   8.3585 -6.445023 12.00985 
1 1 1   -7    2   65 o   90.896   12.221   25.013   5.8481   30.317   8.4741   20.190   8.0809  101.701   15.420   80.091   18.965 21.61011 24.44261 
1 1 1   -7    2   66 o   99.564   11.078   29.727   5.9581   30.783   8.5113   28.712   8.3433  101.379   15.537   97.749   15.796 3.629677 22.15610 
1 1 1   -7    2   67 o   74.140   20.792   18.093   8.6669   0.0000   0.0000   18.093   8.6669  ?   ?    74.140   20.792      ?      ? 
1 1 1   -7    2   68 o  106.983   11.526   35.933   6.4562   32.446   9.3184   39.153   8.9535  100.173   17.870  113.794   14.561 -13.62188 23.05133 
1 1 1   -7    2   69 o  216.645   6.7281  133.286   7.8696  138.154   11.424  128.889   10.857  220.312   9.5958  212.979   9.4335 7.333450 13.45619 
1 1 1   -7    2   70 o  184.739   7.3003   99.365   7.2815   99.497   10.511   99.243   10.097  184.578   10.538  184.900   10.106 -0.3215942 14.60061 
1 1 1   -7    3    1 o  1950.89   23.140 10329.29  243.908 10420.25  348.153 10241.61  341.809  1959.28   32.884  1942.50   32.564 16.77917 46.27921 
1 1 1   -7    3    2 o  1093.54   13.074  3234.39   77.232  3187.92  107.599  3283.78  110.923  1085.46   18.345  1101.63   18.634 -16.17285 26.14839 
1 1 1   -7    3    3 o  937.208   11.290  2375.18   57.167  2348.76   79.982  2402.77   81.739  931.887   15.883  942.530   16.049 -10.64307 22.57968 
1 1 1   -7    3    4 o  563.066   7.0509  856.911   21.453  852.546   30.232  861.339   30.447  561.622   9.9617  564.510   9.9813 -2.888489 14.10182 
1 1 1   -7    3    5 o  1320.75   15.725  4721.91  112.229  4705.38  158.144  4738.68  159.294  1318.43   22.198  1323.08   22.281 -4.647095 31.45090 
1 1 1   -7    3    6 o  693.860   8.5051  1301.41   31.888  1308.45   45.341  1294.52   44.854  695.716   12.061  692.005   11.995 3.710449 17.01017 
1 1 1   -7    3    7 o  727.332   8.8874  1430.13   34.930  1429.79   49.383  1430.47   49.413  727.245   12.566  727.419   12.571 -0.1737061 17.77489 
1 1 1   -7    3    8 o  1111.71   13.287  3342.89   79.809  3376.97  114.066  3310.21  111.704  1117.25   18.894  1106.17   18.688 11.08276 26.57464 
1 1 1   -7    3    9 o  1283.24   15.288  4456.88  106.011  4473.39  150.501  4440.63  149.349  1285.59   21.664  1280.89   21.578 4.706665 30.57680 
1 1 1   -7    3   10 o  136.318   3.4838   49.930   2.5565   56.469   3.7624   44.322   3.4845  144.563   4.8164  128.073   5.0349 16.48935 6.967673 
1 1 1   -7    3   11 o  1279.23   15.247  4429.83  105.385  4393.44  147.717  4467.55  150.394  1273.90   21.459  1284.57   21.666 -10.67517 30.49449 
1 1 1   -7    3   12 o  1036.40   12.433  2906.38   69.627  2912.53   98.697  2900.29   98.241  1037.49   17.605  1035.31   17.560 2.179810 24.86566 
1 1 1   -7    3   13 o  947.453   11.409  2428.54   58.411  2435.60   82.875  2421.57   82.339  948.820   16.164  946.087   16.106 2.733093 22.81842 
1 1 1   -7    3   14 o  1116.50   13.366  3372.61   80.606  3430.45  116.045  3318.69  112.048  1125.72   19.077  1107.27   18.727 18.45068 26.73221 
1 1 1   -7    3   15 o  227.350   3.9174  139.676   4.8120  136.759   6.7846  142.629   6.8260  224.961   5.5812  229.740   5.4985 -4.778168 7.834762 
1 1 1   -7    3   16 o  714.239   8.7743  1380.05   33.864  1381.03   47.938  1379.06   47.845  714.493   12.416  713.985   12.401 0.5083008 17.54856 
1 1 1   -7    3   17 o  699.205   8.6079  1322.89   32.523  1325.02   46.096  1320.78   45.893  699.764   12.191  698.646   12.156 1.117859 17.21579 
1 1 1   -7    3   18 o  312.248   4.5955  263.348   7.7509  255.966   10.783  271.238   11.149  307.725   6.4849  316.772   6.5131 -9.046631 9.190971 
1 1 1   -7    3   19 o  459.832   6.0232  571.761   14.966  571.687   21.189  571.834   21.142  459.802   8.5282  459.862   8.5079 -0.5984497E-01 12.04634 
1 1 1   -7    3   20 o  430.259   5.7448  500.402   13.354  492.650   18.656  508.547   19.123  426.845   8.0883  433.673   8.1603 -6.828949 11.48964 
1 1 1   -7    3   21 o  346.823   6.9781  323.579   13.024  306.531   17.486  344.820   19.519  336.632   9.6129  357.015   10.118 -20.38315 13.95614 
1 1 1   -7    3   23 o  234.601   8.8720  148.874   11.247  148.874   11.247   0.0000   0.0000  234.601   8.8720  ?   ?       ?      ? 
1 1 1   -7    3   24 o  888.209   13.225  2151.71   60.206  2111.49  102.456  2172.93   74.408  881.128   21.518  895.290   15.380 -14.16290 26.45001 
1 1 1   -7    3   25 o  677.175   8.4183  1241.06   30.800  1253.79   44.024  1228.86   43.104  680.569   11.971  673.782   11.839 6.787109 16.83651 
1 1 1   -7    3   26 o  739.744   9.1207  1481.49   36.455  1469.55   51.173  1493.80   51.947  736.723   12.854  742.766   12.943 -6.043152 18.24133 
1 1 1   -7    3   27 o  438.995   5.9172  521.028   14.035  525.726   20.018  516.486   19.684  440.940   8.4016  437.050   8.3346 3.889496 11.83442 
1 1 1   -7    3   28 o  267.083   4.5599  192.825   6.5806  191.075   9.3257  194.561   9.2871  265.875   6.4911  268.291   6.4060 -2.415833 9.119782 
1 1 1   -7    3   29 o  276.055   4.6546  205.882   6.9412  209.915   9.9704  202.089   9.6691  278.676   6.6210  273.433   6.5441 5.242889 9.309285 
1 1 1   -7    3   30 o  898.100   10.924  2183.74   53.013  2181.91   74.928  2185.57   75.016  897.724   15.446  898.476   15.451 -0.7516479 21.84742 
1 1 1   -7    3   31 o  403.354   5.6509  439.659   12.315  432.608   17.222  447.036   17.616  400.047   7.9666  406.662   8.0165 -6.615295 11.30184 
1 1 1   -7    3   32 o  716.898   8.9053  1390.21   34.495  1401.89   49.197  1378.91   48.378  719.857   12.648  713.940   12.540 5.917053 17.81053 
1 1 1   -7    3   33 o  155.503   5.2337   65.399   4.3955   63.704   6.2612   67.046   6.1721  153.514   7.5478  157.492   7.2525 -3.978165 10.46746 
1 1 1   -7    3   34 o  506.552   6.7032  693.825   18.348  694.187   26.001  693.467   25.895  506.683   9.4967  506.422   9.4627 0.2611084 13.40635 
1 1 1   -7    3   35 o  599.409   7.6602  971.790   24.811  969.807   35.037  973.784   35.140  598.796   10.828  600.022   10.838 -1.226196 15.32038 
1 1 1   -7    3   36 o  567.925   7.3790  872.439   22.645  870.644   31.978  874.245   32.073  567.339   10.431  568.511   10.440 -1.171631 14.75802 
1 1 1   -7    3   37 o  131.425   7.0013   46.949   4.9382   40.723   6.9951   53.134   6.9723  122.687   10.551  140.164   9.2056 -17.47691 14.00268 
1 1 1   -7    3   38 o  384.538   5.8375  399.017   12.113  384.761   16.610  415.213   17.704  377.220   8.1486  391.856   8.3610 -14.63556 11.67500 
1 1 1   -7    3   39 o  391.798   5.9608  414.526   12.606  427.524   18.355  402.921   17.343  397.598   8.5431  385.998   8.3150 11.60001 11.92158 
1 1 1   -7    3   40 o  725.226   9.1195  1423.94   35.731  1440.43   51.133  1408.20   49.951  729.319   12.975  721.132   12.819 8.186707 18.23891 
1 1 1   -7    3   41 o  739.914   9.2732  1482.89   37.071  1497.16   52.990  1469.21   51.880  743.389   13.191  736.439   13.037 6.950195 18.54642 
1 1 1   -7    3   42 o  117.496   8.8490   37.392   5.6170   38.043   8.0492   36.774   7.8422  118.491   12.571  116.502   12.457 1.988991 17.69800 
1 1 1   -7    3   43 o  385.889   5.9895  402.005   12.474  421.534   18.202  384.713   17.128  394.701   8.5341  377.077   8.4062 17.62399 11.97893 
1 1 1   -7    3   44 o  162.998   7.0125   72.020   6.1636   77.927   8.7649   66.240   8.6692  169.630   9.5622  156.366   10.260 13.26466 14.02508 
1 1 1   -7    3   45 o  607.063   7.8920  999.169   25.888  1000.11   36.713  998.242   36.511  607.341   11.187  606.784   11.135 0.5563965 15.78408 
1 1 1   -7    3   46 o  580.774   7.6217  914.784   23.919  910.474   33.729  919.145   33.925  579.399   10.773  582.149   10.784 -2.750183 15.24343 
1 1 1   -7    3   47 o  186.658   6.2108   94.355   6.2605   99.160   8.9802   89.811   8.7324  191.284   8.6880  182.031   8.8777 9.252960 12.42154 
1 1 1   -7    3   48 o  504.717   6.9155  691.297   18.861  690.688   26.664  691.907   26.681  504.494   9.7811  504.940   9.7787 -0.4458618 13.83090 
1 1 1   -7    3   49 o   89.767   13.280   24.595   5.9304   17.171   10.408   28.164   7.2166   77.922   23.080  101.612   13.143 -23.69047 26.55988 
1 1 1   -7    3   50 o  458.271   9.1799  572.989   22.717  559.009   31.426  588.288   32.876  452.471   12.853  464.071   13.110 -11.60001 18.35982 
1 1 1   -7    3   51 o  251.279   11.723  172.230   15.918  172.230   15.918   0.0000   0.0000  251.279   11.723  ?   ?       ?      ? 
1 1 1   -7    3   52 o  440.294   9.1530  530.944   21.767  541.216   31.361  521.396   30.235  444.345   13.061  436.244   12.826 8.100494 18.30592 
1 1 1   -7    3   53 o  446.380   9.1734  547.079   22.126  541.892   31.311  552.252   31.271  444.228   13.044  448.532   12.902 -4.304504 18.34681 
1 1 1   -7    3   54 o  209.091   5.9469  119.044   6.7170  117.191   9.5735  120.842   9.4266  207.463   8.5397  210.718   8.2788 -3.255569 11.89389 
1 1 1   -7    3   55 o  109.302   11.809   34.839   6.1067   31.577   11.064   36.268   7.3232  103.770   20.459  114.835   11.802 -11.06434 23.61858 
1 1 1   -7    3   56 o  251.888   5.6862  172.825   7.7340  177.420   11.201  168.639   10.692  255.060   8.1269  248.716   7.9553 6.343689 11.37249 
1 1 1   -7    3   57 f  202.155   6.1869  112.652   6.7036   99.878   9.7016  124.323   9.2734  190.911   9.4043  213.399   8.0419 -22.48840 12.37389 
1 1 1   -7    3   58 o  135.330   9.0801   46.576   6.2600   65.158   11.435   38.624   7.4804  152.594   13.868  118.066   11.725 34.52758 18.16027 
1 1 1   -7    3   59 o   67.668   14.485   13.767   5.7532   14.698   7.6665   12.568   8.7046   69.876   19.541   65.459   21.387 4.417168 28.96964 
1 1 1   -7    3   60 o   63.823   14.993   11.849   5.9576   11.775   7.6508   11.962   9.4955   63.109   19.999   64.537   22.343 -1.427586 29.98625 
1 1 1   -7    3   61 o   53.225   13.562   6.8989   5.2666   2.3418   7.5233   11.278   7.3750   44.878   18.699   61.572   19.649 -16.69417 27.12424 
1 1 1   -7    3   62 o   52.053   13.704   6.8904   5.1507   7.3135   7.4997   6.5126   7.0863   53.110   19.676   50.997   19.080 2.112652 27.40829 
1 1 1   -7    3   63 o  104.117   10.186   31.904   5.4316   24.290   7.7416   39.287   7.6228   90.127   16.504  118.106   11.944 -27.97917 20.37270 
1 1 1   -7    3   64 o   76.523   13.403   18.284   5.5755   22.469   8.0536   14.431   7.7265   85.380   18.022   67.667   19.843 17.71323 26.80552 
1 1 1   -7    3   65 o  107.457   10.780   34.581   5.9373   26.427   8.4191   42.648   8.3743   92.810   17.427  122.105   12.692 -29.29527 21.55912 
1 1 1   -7    3   66 o   46.877   13.644   3.5989   5.6915   7.5194   8.3058   0.1282   7.8148   52.702   20.428   41.051   18.091 11.65080 27.28706 
1 1 1   -7    3   67 o  150.044   12.186   64.500   9.8802   64.500   9.8802   0.0000   0.0000  150.044   12.186  ?   ?       ?      ? 
1 1 1   -7    3   68 o  138.432   8.9995   56.678   6.7003   64.537   9.7822   49.733   9.1963  147.905   12.240  128.959   13.197 18.94601 17.99909 
1 1 1   -7    3   69 o  235.633   6.4187  157.107   8.1716  158.251   11.674  156.008   11.443  236.402   9.1384  234.864   9.0161 1.537384 12.83743 
1 1 1   -7    3   70 o   78.101   14.196   22.496   6.1139   18.610   9.0763   25.724   8.2724   69.616   21.744   86.585   18.256 -16.96951 28.39169 
1 1 1   -7    4    1 o  761.223   9.2800  1566.20   38.164  1585.84   54.651  1547.52   53.318  765.875   13.206  756.571   13.042 9.304199 18.56004 
1 1 1   -7    4    2 o  1648.62   19.560  7362.30  174.210  7457.88  249.736  7271.70  243.138  1659.01   27.858  1638.24   27.466 20.77271 39.12032 
1 1 1   -7    4    3 o  611.685   7.6038  1011.35   25.133  1010.95   35.543  1011.74   35.544  611.565   10.755  611.805   10.751 -0.2398071 15.20751 
1 1 1   -7    4    4 o  500.043   6.3895  675.627   17.262  667.562   24.158  684.041   24.675  496.995   8.9954  503.091   9.0766 -6.095490 12.77900 
1 1 1   -7    4    5 o  760.645   9.2682  1564.10   38.093  1554.26   53.553  1574.19   54.197  758.222   13.071  763.067   13.144 -4.844238 18.53648 
1 1 1   -7    4    6 o  325.211   4.6221  285.796   8.1224  285.735   11.517  285.857   11.457  325.176   6.5542  325.246   6.5189 -0.6982422E-01 9.244125 
1 1 1   -7    4    7 o  683.602   8.4119  1262.66   31.061  1283.93   44.677  1242.77   43.213  689.166   11.997  678.038   11.794 11.12817 16.82370 
1 1 1   -7    4    8 o  1095.89   13.123  3248.96   77.709  3265.85  110.572  3232.47  109.235  1098.70   18.624  1093.08   18.494 5.618530 26.24654 
1 1 1   -7    4    9 o  741.444   9.0609  1486.17   36.300  1475.19   50.982  1497.45   51.698  738.670   12.773  744.219   12.855 -5.549377 18.12182 
1 1 1   -7    4   10 o  431.609   5.7017  503.447   13.297  505.127   18.898  501.799   18.714  432.322   8.0894  430.897   8.0373 1.425507 11.40338 
1 1 1   -7    4   11 o  107.039   3.9024   30.967   2.2566   30.219   3.1945   31.711   3.1882  105.750   5.5902  108.329   5.4464 -2.579323 7.804736 
1 1 1   -7    4   12 o  531.652   6.7549  763.748   19.400  775.452   27.847  752.710   27.043  535.606   9.6215  527.697   9.4838 7.908691 13.50979 
1 1 1   -7    4   13 o  480.431   6.2125  623.810   16.127  628.374   22.989  619.388   22.629  482.160   8.8233  478.702   8.7481 3.458466 12.42501 
1 1 1   -7    4   14 o  1118.24   13.392  3385.39   80.919  3408.48  115.240  3362.93  113.651  1121.99   19.008  1114.48   18.872 7.504883 26.78481 
1 1 1   -7    4   15 o  470.305   6.1256  597.833   15.566  590.327   21.805  605.634   22.227  467.296   8.6352  473.314   8.6906 -6.017975 12.25121 
1 1 1   -7    4   16 o  424.622   5.6573  487.043   12.974  475.241   17.989  499.836   18.729  419.268   7.9399  429.977   8.0608 -10.70834 11.31451 
1 1 1   -7    4   17 o  834.392   10.154  1884.85   45.774  1903.52   65.445  1866.97   64.046  838.425   14.445  830.358   14.274 8.067444 20.30764 
1 1 1   -7    4   18 o  718.844   8.8469  1398.48   34.362  1406.92   48.932  1390.27   48.266  720.977   12.560  716.710   12.463 4.266907 17.69377 
1 1 1   -7    4   19 o  540.821   6.9005  790.834   20.161  778.196   28.127  804.188   28.913  536.383   9.7041  545.260   9.8131 -8.877502 13.80096 
1 1 1   -7    4   20 o  743.263   11.075  1517.63   43.011  1412.39   69.070  1584.29   54.970  721.614   17.713  764.913   13.299 -43.29901 22.14997 
1 1 1   -7    4   21 o  714.377   17.650  1384.46   68.133  1384.46   68.133   0.0000   0.0000  714.377   17.650  ?   ?       ?      ? 
1 1 1   -7    4   23 o  769.771   13.423  1608.75   55.816  1582.66   77.759  1636.49   80.169  763.363   18.851  776.180   19.114 -12.81641 26.84594 
1 1 1   -7    4   24 f  211.506   4.2075  120.735   4.7969  123.491   7.0697  118.383   6.5299  213.736   6.1212  209.275   5.7743 4.461472 8.415005 
1 1 1   -7    4   25 o  458.923   6.0965  569.587   15.118  568.107   21.364  571.072   21.398  458.326   8.6261  459.521   8.6173 -1.195068 12.19292 
1 1 1   -7    4   26 o  636.718   7.9797  1096.97   27.454  1089.62   38.618  1104.49   39.037  634.562   11.262  638.874   11.308 -4.312073 15.95936 
1 1 1   -7    4   27 o  431.147   5.8500  502.484   13.627  495.007   19.086  510.261   19.463  427.876   8.2550  434.418   8.2913 -6.541168 11.70003 
1 1 1   -7    4   28 o  256.591   4.4990  177.969   6.2367  177.439   8.9029  178.480   8.7395  256.215   6.4305  256.968   6.2939 -0.7530823 8.997999 
1 1 1   -7    4   29 o  311.080   4.8687  261.448   8.1810  265.859   11.768  257.322   11.381  313.617   6.9440  308.543   6.8264 5.074219 9.737466 
1 1 1   -7    4   30 o  1354.30   16.204  4976.84  118.582  4989.43  168.090  4964.37  167.314  1356.00   22.940  1352.60   22.891 3.398193 32.40778 
1 1 1   -7    4   31 o  256.305   4.7476  177.528   6.5749  179.496   9.3681  175.618   9.2300  257.704   6.7273  254.906   6.7009 2.798798 9.495211 
1 1 1   -7    4   32 o  724.231   8.9838  1418.98   35.157  1409.76   49.437  1428.41   50.006  721.854   12.674  726.608   12.736 -4.753784 17.96762 
1 1 1   -7    4   33 o  339.995   5.2280  312.409   9.6036  316.179   13.720  308.787   13.447  342.005   7.4240  337.985   7.3628 4.020355 10.45593 
1 1 1   -7    4   34 o  1374.66   16.459  5128.83  122.234  5067.26  170.759  5193.53  175.050  1366.24   23.130  1383.08   23.422 -16.83447 32.91774 
1 1 1   -7    4   35 o  750.036   9.3064  1522.45   37.718  1518.55   53.280  1526.37   53.403  749.073   13.163  750.998   13.160 -1.924866 18.61271 
1 1 1   -7    4   36 o  745.652   9.2752  1505.08   37.372  1505.87   52.911  1504.30   52.794  745.846   13.128  745.458   13.106 0.3880005 18.55048 
1 1 1   -7    4   37 o  684.165   8.6254  1266.97   31.888  1267.65   45.145  1266.29   45.049  684.347   12.208  683.982   12.188 0.3644409 17.25087 
1 1 1   -7    4   38 o  286.140   5.4379  221.213   8.4017  225.237   12.162  217.539   11.620  288.624   7.7982  283.655   7.5809 4.968964 10.87576 
1 1 1   -7    4   39 o  471.869   6.6299  601.695   16.895  620.064   24.412  584.807   23.406  478.771   9.4360  464.967   9.3159 13.80368 13.25989 
1 1 1   -7    4   40 f  1340.67   22.837  4891.18  165.447  4891.18  165.447   0.0000   0.0000  1340.67   22.837  ?   ?       ?      ? 
1 1 1   -7    4   41 o  589.555   7.7237  940.981   24.606  941.090   34.870  940.873   34.726  589.587   10.945  589.524   10.901 0.6341553E-01 15.44749 
1 1 1   -7    4   42 o  711.394   8.9766  1370.66   34.494  1394.06   49.631  1348.79   47.974  717.248   12.805  705.541   12.583 11.70795 17.95328 
1 1 1   -7    4   43 o  419.796   6.2114  476.905   14.089  472.502   19.800  481.421   20.054  417.834   8.7693  421.757   8.7992 -3.922638 12.42282 
1 1 1   -7    4   44 o  409.922   6.1278  454.241   13.561  470.192   19.699  439.870   18.698  416.745   8.7473  403.099   8.5841 13.64639 12.25568 
1 1 1   -7    4   45 o  400.795   6.0716  434.849   13.148  439.924   18.794  429.986   18.399  403.081   8.6288  398.510   8.5441 4.570618 12.14318 
1 1 1   -7    4   46 o  398.752   6.0418  430.689   13.016  431.017   18.589  430.373   18.231  398.891   8.6243  398.612   8.4638 0.2793274 12.08366 
1 1 1   -7    4   47 f  436.000   6.2933  515.256   14.826  519.221   21.122  511.405   20.815  437.648   8.9314  434.351   8.8685 3.296570 12.58654 
1 1 1   -7    4   48 o  254.738   5.6581  176.161   7.7710  170.530   11.263  181.277   10.735  250.816   8.3105  258.660   7.6806 -7.844360 11.31621 
1 1 1   -7    4   49 o  311.954   7.8732  264.732   13.267  268.919   19.078  260.811   18.462  314.322   11.232  309.586   11.036 4.735168 15.74645 
1 1 1   -7    4   50 o  352.026   8.1126  337.321   15.424  327.027   21.413  348.423   22.237  346.458   11.438  357.594   11.508 -11.13596 16.22513 
1 1 1   -7    4   51 o  356.222   8.4466  344.633   16.259  344.633   16.259   0.0000   0.0000  356.222   8.4466  ?   ?       ?      ? 
1 1 1   -7    4   52 o  310.746   8.1291  263.825   13.632  266.441   19.841  261.487   18.761  312.120   11.764  309.373   11.222 2.746826 16.25822 
1 1 1   -7    4   53 o  315.824   8.0620  272.523   13.739  280.180   20.067  265.766   18.851  319.922   11.608  311.726   11.191 8.195190 16.12397 
1 1 1   -7    4   54 o   47.714   14.232   1.5287   5.7710   1.6277   10.807   1.4893   6.8258   52.528   22.181   42.901   17.838 9.627243 28.46411 
1 1 1   -7    4   55 o   52.562   13.694   6.4572   5.1468   5.0995   7.6378   7.5865   6.9659   50.718   19.608   54.405   19.120 -3.687450 27.38716 
1 1 1   -7    4   56 o  215.521   5.9877  126.697   6.9694  129.881   10.064  123.763   9.6604  218.102   8.5397  212.940   8.3956 5.162079 11.97547 
1 1 1   -7    4   57 o   88.807   11.083   22.305   5.1581   27.365   7.6695   18.126   6.9698   98.941   14.345   78.674   16.899 20.26752 22.16654 
1 1 1   -7    4   58 o  147.537   9.1715   63.216   6.6436   54.032   11.714   67.571   8.0664  138.259   15.679  156.814   9.5193 -18.55579 18.34295 
1 1 1   -7    4   59 o  141.063   9.6030   58.742   6.5453   48.919   11.734   63.178   7.8861  130.720   16.612  151.406   9.6390 -20.68562 19.20600 
1 1 1   -7    4   60 o  137.287   9.2036   52.877   6.6284   52.818   8.4308   52.973   10.726  137.811   11.321  136.764   14.514 1.046814 18.40724 
1 1 1   -7    4   61 o  236.960   5.9512  154.425   7.6157  162.037   10.893  147.146   10.651  242.725   8.3052  231.194   8.5259 11.53163 11.90240 
1 1 1   -7    4   62 o  221.638   6.0690  135.089   7.2539  142.951   10.683  128.363   9.8808  227.544   8.6885  215.733   8.4759 11.81107 12.13805 
1 1 1   -7    4   63 o   76.765   13.273   17.752   5.4956   23.345   8.3568   13.490   7.2949   87.411   18.280   66.119   19.250 21.29197 26.54671 
1 1 1   -7    4   64 o  159.454   7.3628   71.150   6.3356   73.512   9.2524   69.065   8.6934  161.848   10.579  157.060   10.243 4.788788 14.72566 
1 1 1   -7    4   65 o  169.355   7.2122   79.231   6.5363   96.242   9.9358   66.252   8.6787  185.290   9.9235  153.421   10.468 31.86897 14.42447 
1 1 1   -7    4   66 o  118.257   9.7636   40.402   6.1939   47.593   9.3468   34.772   8.2706  127.687   13.547  108.827   14.064 18.85976 19.52713 
1 1 1   -7    4   67 o  128.298   9.3845   47.862   6.4733   45.242   9.4480   50.179   8.8870  124.455   14.049  132.140   12.446 -7.684570 18.76893 
1 1 1   -7    4   68 f  152.772   8.3147   68.989   6.8405   66.477   9.9558   71.234   9.4147  149.501   12.324  156.043   11.165 -6.542206 16.62946 
1 1 1   -7    4   69 f   49.504   14.082   6.2622   5.8984   3.1707   8.5719   9.0423   8.1288   45.266   19.455   53.743   20.364 -8.477299 28.16362 
1 1 1   -7    5    3 o  1159.20   13.853  3634.51   86.747  3684.90  124.478  3586.94  120.956  1166.99   19.739  1151.40   19.441 15.59229 27.70542 
1 1 1   -7    5    5 o  817.610   9.9336  1807.50   43.888  1806.30   62.047  1808.71   62.086  817.337   14.049  817.883   14.048 -0.5456543 19.86729 
1 1 1   -7    5    6 o  792.993   9.6537  1699.77   41.357  1721.96   59.260  1678.70   57.746  798.033   13.742  787.953   13.562 10.08008 19.30745 
1 1 1   -7    5    7 o  1469.31   17.480  5847.51  138.779  5875.71  197.175  5819.84  195.364  1472.82   24.775  1465.81   24.665 7.002197 34.95942 
1 1 1   -7    5    8 o  835.657   10.144  1888.32   45.804  1901.21   65.252  1875.81   64.312  838.464   14.402  832.850   14.290 5.614136 20.28861 
1 1 1   -7    5    9 o  652.537   8.0852  1150.90   28.504  1137.24   39.871  1165.18   40.766  648.580   11.376  656.494   11.492 -7.914673 16.17042 
1 1 1   -7    5   10 o  995.272   11.974  2680.22   64.396  2678.38   91.059  2682.05   91.080  994.931   16.937  995.613   16.930 -0.6821899 23.94743 
1 1 1   -7    5   11 o  416.905   5.5881  469.569   12.585  476.487   18.085  463.073   17.523  419.880   7.9708  413.930   7.8343 5.949646 11.17630 
1 1 1   -7    5   12 o  741.638   9.0941  1487.19   36.442  1473.35   51.101  1501.52   51.982  738.128   12.812  745.147   12.910 -7.018188 18.18822 
1 1 1   -7    5   13 o  572.304   7.2160  885.492   22.315  882.373   31.491  888.638   31.627  571.292   10.201  573.316   10.209 -2.024292 14.43193 
1 1 1   -7    5   14 o  360.359   5.0604  350.997   9.8538  348.074   13.908  353.944   13.963  358.853   7.1723  361.866   7.1408 -3.013824 10.12088 
1 1 1   -7    5   15 o  360.265   5.0557  350.312   9.8320  362.459   14.305  339.436   13.536  366.173   7.2298  354.357   7.0689 11.81610 10.11132 
1 1 1   -7    5   16 o  740.591   9.0954  1484.51   36.399  1486.79   51.606  1482.24   51.346  741.156   12.886  740.026   12.840 1.130249 18.19085 
1 1 1   -7    5   17 o  711.589   8.7749  1370.39   33.740  1376.38   47.979  1364.53   47.455  713.123   12.451  710.055   12.368 3.068115 17.54986 
1 1 1   -7    5   18 o  1276.52   15.289  4424.01  105.408  4345.62  146.310  4508.60  151.990  1264.84   21.407  1288.20   21.835 -23.36182 30.57768 
1 1 1   -7    5   19 o  766.351   11.495  1593.55   44.965  1586.94   77.473  1596.91   55.218  764.741   18.748  767.961   13.306 -3.220276 22.98974 
1 1 1   -7    5   20 o  442.866   11.756  530.856   28.134  530.856   28.134   0.0000   0.0000  442.866   11.756  ?   ?       ?      ? 
1 1 1   -7    5   22 o  390.527   7.7781  412.144   16.400  397.072   22.625  428.829   23.805  383.021   10.932  398.034   11.068 -15.01312 15.55628 
1 1 1   -7    5   23 o  204.764   5.3095  110.999   5.3510  119.099   10.041  107.787   6.3238  209.840   8.8554  199.687   5.8605 10.15285 10.61900 
1 1 1   -7    5   24 o  963.781   11.672  2516.63   60.746  2465.21   84.108  2572.70   87.829  953.535   16.323  974.026   16.687 -20.49084 23.34341 
1 1 1   -7    5   25 o  704.370   8.7289  1342.70   33.216  1359.06   47.601  1327.18   46.371  708.541   12.433  700.200   12.256 8.341125 17.45774 
1 1 1   -7    5   26 o  745.672   9.2039  1504.73   37.079  1485.89   51.841  1524.46   53.055  740.901   12.949  750.442   13.083 -9.540771 18.40783 
1 1 1   -7    5   27 o  654.802   8.1932  1159.92   28.988  1149.01   40.678  1171.17   41.320  651.678   11.551  657.926   11.622 -6.247864 16.38633 
1 1 1   -7    5   28 o  620.711   7.8317  1042.15   26.267  1034.72   36.964  1049.73   37.334  618.477   11.060  622.945   11.091 -4.467285 15.66333 
1 1 1   -7    5   29 o  1129.40   13.578  3457.29   82.865  3458.36  117.258  3456.23  117.118  1129.57   19.211  1129.22   19.194 0.3458252 27.15596 
1 1 1   -7    5   30 o  818.587   10.040  1813.14   44.409  1800.08   62.354  1826.59   63.263  815.599   14.148  821.575   14.250 -5.976135 20.08075 
1 1 1   -7    5   31 o  688.223   8.5949  1280.72   31.954  1261.28   44.522  1301.37   45.889  682.846   12.066  693.601   12.244 -10.75494 17.18981 
1 1 1   -7    5   32 o  385.064   5.5832  400.499   11.611  390.596   16.114  411.196   16.747  380.118   7.8450  390.010   7.9463 -9.892090 11.16633 
1 1 1   -7    5   33 o  855.419   10.468  1980.86   48.388  1982.18   68.529  1979.55   68.334  855.701   14.821  855.138   14.788 0.5632324 20.93659 
1 1 1   -7    5   34 o  653.087   8.2456  1153.04   29.086  1129.42   40.392  1178.47   41.917  646.152   11.568  660.022   11.753 -13.87000 16.49117 
1 1 1   -7    5   35 o  514.472   6.8629  715.715   19.077  721.665   27.238  709.987   26.726  516.568   9.7581  512.377   9.6528 4.191345 13.72581 
1 1 1   -7    5   36 o  235.302   5.3602  149.739   6.8118  143.959   9.6243  155.540   9.6425  230.748   7.7187  239.855   7.4397 -9.107620 10.72039 
1 1 1   -7    5   37 o  534.926   7.1420  767.716   20.531  716.917   27.340  833.401   31.089  514.819   9.8279  555.033   10.366 -40.21417 14.28408 
1 1 1   -7    5   38 o  763.698   9.5200  1577.97   39.263  1541.02   54.377  1618.21   56.751  754.382   13.339  773.014   13.586 -18.63208 19.04000 
1 1 1   -7    5   39 o  1125.72   13.630  3441.21   82.905  3459.77  118.083  3423.16  116.425  1128.69   19.361  1122.76   19.190 5.936890 27.25975 
1 1 1   -7    5   40 o  280.523   5.7805  212.666   8.7592  219.790   12.581  205.964   12.203  285.079   8.1668  275.967   8.1830 9.112579 11.56107 
1 1 1   -7    5   41 o  505.146   6.9170  690.370   18.877  679.391   26.355  701.936   27.049  501.028   9.7345  509.264   9.8294 -8.236389 13.83395 
1 1 1   -7    5   42 o  524.083   7.0868  743.487   20.069  740.156   28.359  746.830   28.406  522.905   10.036  525.260   10.008 -2.355103 14.17356 
1 1 1   -7    5   43 o  422.674   6.2363  483.256   14.238  470.156   19.812  497.249   20.477  416.757   8.7974  428.592   8.8415 -11.83548 12.47265 
1 1 1   -7    5   44 o  295.958   5.5991  236.926   8.9491  240.701   12.921  233.445   12.407  298.216   8.0179  293.700   7.8176 4.516754 11.19827 
1 1 1   -7    5   45 o  531.988   7.1655  766.859   20.596  755.528   28.844  778.645   29.418  527.983   10.110  535.992   10.157 -8.008789 14.33107 
1 1 1   -7    5   46 o  455.533   6.4813  562.175   15.948  571.087   22.937  553.834   22.189  459.014   9.2476  452.053   9.0837 6.961121 12.96269 
1 1 1   -7    5   47 o  523.731   7.0872  744.343   20.057  741.049   28.346  747.645   28.384  522.567   10.038  524.894   10.007 -2.327454 14.17447 
1 1 1   -7    5   48 o  180.866   7.9141   92.381   7.3124   77.140   11.929  101.557   9.2553  168.238   13.121  193.493   8.8519 -25.25478 15.82811 
1 1 1   -7    5   49 o  360.896   8.1773  354.784   15.944  357.432   22.808  352.252   22.296  362.190   11.654  359.602   11.474 2.587891 16.35451 
1 1 1   -7    5   50 o  487.370   9.5575  649.278   25.167  657.432   35.952  641.441   35.242  490.348   13.568  484.392   13.464 5.956207 19.11500 
1 1 1   -7    5   51 o  359.681   7.2003  357.214   13.488  372.094   17.153  333.108   21.833  370.048   8.5783  349.314   11.567 20.73419 14.40056 
1 1 1   -7    5   52 o  373.905   8.5339  382.874   17.237  372.072   24.367  393.694   24.387  368.556   12.235  379.253   11.900 -10.69730 17.06781 
1 1 1   -7    5   53 f  229.718   8.2667  144.999   10.227  134.347   14.663  155.090   14.272  221.320   12.261  238.116   11.092 -16.79565 16.53336 
1 1 1   -7    5   54 o  116.805   11.048   37.540   6.1485   38.716   11.999   37.122   7.1600  117.274   18.935  116.337   11.390 0.9369202 22.09611 
1 1 1   -7    5   55 o   47.764   11.739   1.6141   4.9353 -11.0072   7.2855   12.318   6.7093   30.441   14.697   65.087   18.308 -34.64588 23.47736 
1 1 1   -7    5   56 o   97.427   10.535   27.284   5.3055   23.258   7.8627   30.649   7.1888   89.596   16.859  105.259   12.639 -15.66320 21.07066 
1 1 1   -7    5   57 o   47.382   13.115   3.9615   5.0376   0.4008   7.5813   6.7765   6.7409   42.800   18.343   51.964   18.749 -9.164104 26.22936 
1 1 1   -7    5   58 o   85.800   11.473   20.792   5.1579   27.970   7.8538   15.348   6.8397   99.726   14.574   71.874   17.723 27.85217 22.94544 
1 1 1   -7    5   59 o  161.441   8.1772   70.451   6.7338   78.761   11.902   66.539   8.1665  167.567   13.145  155.315   9.7305 12.25221 16.35430 
1 1 1   -7    5   60 o  131.554   8.5113   48.274   6.0434   50.130   8.8106   46.625   8.3052  133.887   12.178  129.222   11.894 4.664642 17.02265 
1 1 1   -7    5   61 f  277.817   7.0444  211.582   10.076  206.033   12.419  222.275   17.239  273.583   8.4003  282.051   11.311 -8.468231 14.08890 
1 1 1   -7    5   62 o  185.246   6.5945   94.853   6.5853   98.638   9.7221   91.645   8.9515  188.542   9.5426  181.950   9.1045 6.592163 13.18910 
1 1 1   -7    5   63 o  149.842   7.5996   61.725   6.1001   73.410   9.3260   52.987   8.0645  162.074   10.649  137.610   10.845 24.46410 15.19913 
1 1 1   -7    5   64 o  224.698   6.1324  140.256   7.4320  132.905   10.624  147.300   10.400  218.707   8.9899  230.689   8.3430 -11.98184 12.26478 
1 1 1   -7    5   65 o  205.622   6.5668  118.376   7.2819  117.165   10.602  119.458   10.019  204.382   9.5999  206.861   8.9630 -2.478348 13.13367 
1 1 1   -7    5   66 o   50.999   13.978   5.8247   5.8945  -0.1192   8.6280   11.027   8.0718   42.694   18.902   59.304   20.596 -16.60949 27.95532 
1 1 1   -7    5   67 o   80.776   14.038   22.029   6.2162   15.954   9.4239   26.707   8.2707   68.846   22.236   92.707   17.141 -23.86005 28.07630 
1 1 1   -7    5   68 o   60.052   13.469   10.456   5.9265   22.933   8.7413  -0.1587   8.0625   80.415   20.156   39.690   17.871 40.72575 26.93764 
1 1 1   -7    5   69 o   54.184   13.877   8.7983   5.8690   1.0413   8.6681   15.365   7.9752   42.486   18.871   65.882   20.351 -23.39597 27.75401 
1 1 1   -7    6    1 o  1708.87   20.288  7914.10  187.290  8026.86  268.842  7807.77  261.065  1720.65   28.915  1697.09   28.468 23.55396 40.57684 
1 1 1   -7    6    2 o  612.074   10.831  1012.70   35.823   0.0000   0.0000  1012.70   35.823  ?   ?   612.074   10.831      ?      ? 
1 1 1   -7    6    3 o  1276.22   15.229  4409.00  105.020  4434.30  149.439  4384.32  147.618  1279.83   21.609  1272.61   21.466 7.216797 30.45867 
1 1 1   -7    6    4 o  589.626   7.4102  939.758   23.610  936.549   33.320  942.994   33.459  588.615   10.476  590.637   10.483 -2.021729 14.82041 
1 1 1   -7    6    5 o  982.049   11.827  2609.02   62.762  2606.98   88.724  2611.06   88.795  981.666   16.726  982.432   16.726 -0.7666626 23.65423 
1 1 1   -7    6    6 o  698.808   12.204  1320.32   46.085   0.0000   0.0000  1320.32   46.085  ?   ?   698.808   12.204      ?      ? 
1 1 1   -7    6    7 o  1031.61   12.397  2879.65   69.108  2889.58   98.106  2869.86   97.365  1033.38   17.569  1029.85   17.496 3.525024 24.79488 
1 1 1   -7    6    8 o  900.871   10.903  2195.35   53.074  2188.66   74.864  2202.11   75.252  899.492   15.402  902.250   15.435 -2.758545 21.80526 
1 1 1   -7    6    9 o  1402.59   16.710  5330.52  126.650  5335.40  179.317  5325.65  178.904  1403.23   23.649  1401.95   23.616 1.278076 33.42077 
1 1 1   -7    6   10 o  1223.17   14.614  4051.43   96.589  4065.13  137.107  4037.92  136.094  1225.22   20.709  1221.12   20.625 4.096069 29.22756 
1 1 1   -7    6   11 o  1527.49   18.181  6328.46  150.070  6325.28  212.177  6331.64  212.285  1527.11   25.712  1527.88   25.712 -0.7677002 36.36277 
1 1 1   -7    6   12 o  117.052   4.3775   37.047   2.7673   35.876   3.9297   38.199   3.8977  115.216   6.3119  118.888   6.0671 -3.672432 8.754991 
1 1 1   -7    6   13 o  910.333   11.024  2243.95   54.230  2238.97   76.580  2248.96   76.805  909.321   15.585  911.345   15.596 -2.023987 22.04854 
1 1 1   -7    6   14 o  634.780   11.230  1090.13   38.522   0.0000   0.0000  1090.13   38.522  ?   ?   634.780   11.230      ?      ? 
1 1 1   -7    6   15 o  269.592   4.3833  196.436   6.3853  194.351   8.9883  198.560   9.0727  268.147   6.2032  271.036   6.1947 -2.888458 8.766653 
1 1 1   -7    6   16 o  659.434   8.2028  1175.36   29.206  1145.78   40.323  1208.00   42.357  650.727   11.468  668.141   11.732 -17.41388 16.40565 
1 1 1   -7    6   17 o  405.118   7.8290  443.746   17.139   0.0000   0.0000  443.746   17.139  ?   ?   405.118   7.8290      ?      ? 
1 1 1   -7    6   18 o  449.876   7.2904  551.572   16.918  533.784   28.308  561.456   21.102  444.100   11.796  455.651   8.5703 -11.55042 14.58083 
1 1 1   -7    6   19 o  442.957   11.796  531.081   28.234  531.081   28.234   0.0000   0.0000  442.957   11.796  ?   ?       ?      ? 
1 1 1   -7    6   21 o  232.040   6.2606  145.645   7.8473  145.518   11.242  145.766   10.959  231.938   8.9702  232.142   8.7360 -0.2044373 12.52123 
1 1 1   -7    6   22 o  501.532   8.0790  679.814   20.477  683.784   36.074  677.927   24.873  502.448   13.287  500.615   9.1947 1.832916 16.15791 
1 1 1   -7    6   23 o  1009.12   12.199  2761.19   66.503  2721.34   92.741  2803.37   95.414  1001.66   17.134  1016.59   17.369 -14.92987 24.39808 
1 1 1   -7    6   24 o  555.183   7.1162  833.860   21.349  829.801   30.154  837.940   30.229  553.828   10.076  556.539   10.052 -2.711121 14.23241 
1 1 1   -7    6   25 o  526.054   6.8245  748.049   19.393  732.462   26.992  764.678   27.880  520.397   9.5989  531.712   9.7036 -11.31525 13.64909 
1 1 1   -7    6   26 o  425.934   5.8346  490.213   13.424  478.797   18.693  502.373   19.291  420.817   8.2203  431.051   8.2822 -10.23373 11.66914 
1 1 1   -7    6   27 o  534.981   6.9433  773.964   20.070  777.897   28.617  770.157   28.155  536.316   9.8746  533.647   9.7637 2.669250 13.88659 
1 1 1   -7    6   28 o  917.908   11.157  2281.42   55.335  2291.82   78.713  2271.27   77.807  919.968   15.834  915.849   15.722 4.119324 22.31345 
1 1 1   -7    6   29 o  894.310   10.891  2163.08   52.596  2115.91   72.766  2214.70   76.109  884.127   15.231  904.494   15.572 -20.36694 21.78228 
1 1 1   -7    6   30 o  1722.57   20.536  8069.73  191.154  8097.21  271.300  8042.63  269.376  1725.47   29.098  1719.68   28.988 5.782349 41.07291 
1 1 1   -7    6   31 o  798.112   9.8191  1723.80   42.346  1729.89   60.137  1717.82   59.639  799.507   13.920  796.718   13.853 2.788696 19.63826 
1 1 1   -7    6   32 f  697.394   8.7146  1313.45   32.799  1271.42   45.029  1360.96   47.872  685.541   12.156  709.246   12.491 -23.70441 17.42929 
1 1 1   -7    6   33 o  476.252   6.4291  612.292   16.530  590.938   22.786  636.014   24.016  467.503   9.0200  485.000   9.1638 -17.49707 12.85824 
1 1 1   -7    6   34 f  676.148   8.5152  1236.25   31.100  1212.75   43.270  1261.36   44.731  669.511   11.960  682.785   12.124 -13.27405 17.03038 
1 1 1   -7    6   35 o  809.097   9.9876  1771.02   43.637  1731.08   60.380  1814.70   63.137  799.574   13.975  818.620   14.273 -19.04572 19.97529 
1 1 1   -7    6   36 o  841.865   10.371  1917.80   47.139  1871.61   65.070  1968.83   68.384  831.234   14.487  852.495   14.845 -21.26166 20.74199 
1 1 1   -7    6   37 o  295.591   5.5222  236.111   8.8168  240.516   12.695  232.007   12.254  298.251   7.8769  292.931   7.7417 5.319611 11.04447 
1 1 1   -7    6   38 o  594.816   7.7782  957.487   25.000  951.368   35.351  963.608   35.360  592.912   11.034  596.719   10.966 -3.807739 15.55641 
1 1 1   -7    6   39 o  520.657   7.0902  732.258   19.921  755.130   29.087  712.051   27.340  528.291   10.189  513.023   9.8624 15.26727 14.18038 
1 1 1   -7    6   40 o  253.152   5.8812  173.416   8.0416  170.169   11.474  176.551   11.274  250.817   8.4656  255.487   8.1661 -4.670120 11.76234 
1 1 1   -7    6   41 o  475.266   6.7108  611.236   17.234  604.796   24.261  617.795   24.485  472.739   9.4973  477.793   9.4836 -5.054352 13.42150 
1 1 1   -7    6   42 o  342.250   8.2525  316.929   15.262   0.0000   0.0000  316.929   15.262  ?   ?   342.250   8.2525      ?      ? 
1 1 1   -7    6   43 o  416.517   6.2145  469.629   13.985  472.043   19.978  467.310   19.584  417.560   8.8540  415.474   8.7229 2.085876 12.42906 
1 1 1   -7    6   44 o  376.331   5.9489  383.443   12.096  378.513   17.131  388.345   17.083  373.913   8.4784  378.750   8.3470 -4.837067 11.89774 
1 1 1   -7    6   45 o  419.849   6.2306  477.198   14.131  463.668   19.710  491.510   20.271  413.728   8.8162  425.970   8.8067 -12.24207 12.46126 
1 1 1   -7    6   46 o  417.973   6.1956  473.420   13.990  476.245   20.020  470.724   19.558  419.180   8.8386  416.766   8.6847 2.414001 12.39129 
1 1 1   -7    6   47 o  252.153   6.8935  167.090   8.7657  187.613   15.890  158.114   10.509  262.755   11.192  241.550   8.0516 21.20512 13.78704 
1 1 1   -7    6   48 o  287.029   7.8459  223.797   12.154  208.874   16.880  239.865   17.515  277.074   11.274  296.983   10.914 -19.90930 15.69173 
1 1 1   -7    6   49 o  307.241   7.7859  256.739   12.918  265.315   18.678  248.874   17.886  312.141   11.074  302.341   10.948 9.799622 15.57177 
1 1 1   -7    6   50 o   39.456   12.230  -2.6093   5.1041   1.5260   7.5290  -6.1261   6.9432   45.129   18.747   33.782   15.712 11.34654 24.46056 
1 1 1   -7    6   51 o   61.020   15.934   7.7516   7.2760   1.9189   10.518   13.104   10.076   52.608   22.031   69.432   23.025 -16.82389 31.86741 
1 1 1   -7    6   52 o  103.590   14.479   30.789   7.7738   33.986   11.795   28.333   10.337  108.276   20.916   98.903   20.028 9.372704 28.95849 
1 1 1   -7    6   53 o   53.390   15.007   4.2661   5.8759   7.1532   11.286   3.1924   6.8824   60.844   23.748   45.937   18.353 14.90786 30.01330 
1 1 1   -7    6   54 o  384.143   6.0297  402.388   12.514  392.585   17.677  412.235   17.717  379.414   8.6220  388.872   8.4314 -9.458069 12.05937 
1 1 1   -7    6   55 o  465.418   6.6801  592.580   16.796  592.546   24.006  592.612   23.509  465.344   9.5468  465.492   9.3463 -0.1481018 13.36019 
1 1 1   -7    6   56 o  302.711   5.6867  250.033   9.2921  251.333   13.470  248.852   12.835  303.395   8.2165  302.027   7.8640 1.368378 11.37337 
1 1 1   -7    6   57 o  381.423   6.0552  397.941   12.460  405.681   18.210  391.127   17.087  384.790   8.7581  378.056   8.3640 6.734192 12.11035 
1 1 1   -7    6   58 o  113.449   8.7885   35.646   5.3714   38.988   7.9699   32.864   7.2708  118.281   12.469  108.617   12.388 9.663948 17.57691 
1 1 1   -7    6   59 o   76.993   12.541   18.128   5.2711   12.528   7.9784   22.466   7.0219   64.890   20.406   89.096   14.585 -24.20674 25.08265 
1 1 1   -7    6   60 o  235.345   6.9567  150.553   8.2782  160.901   14.748  145.792   10.003  240.229   11.361  230.462   8.0322 9.766525 13.91346 
1 1 1   -7    6   61 o  197.162   7.6015  105.920   7.8641   98.662   9.8609  118.604   13.035  188.674   9.6720  205.650   11.730 -16.97679 15.20297 
1 1 1   -7    6   62 o  150.431   8.9005   63.661   7.0535   62.344   8.9929   65.766   11.370  149.151   11.158  151.711   13.870 -2.560104 17.80092 
1 1 1   -7    6   63 o   77.381   13.247   19.135   5.6003   13.457   8.3305   23.817   7.5647   65.668   20.875   89.093   16.314 -23.42439 26.49369 
1 1 1   -7    6   64 o   77.519   13.421   19.491   5.6787   14.210   8.5780   23.611   7.5768   66.770   21.178   88.267   16.492 -21.49712 26.84196 
1 1 1   -7    6   65 o  101.035   11.468   31.298   6.0446   28.519   8.8994   33.678   8.2359   95.140   17.969  106.929   14.254 -11.78971 22.93592 
1 1 1   -7    6   66 o  132.074   9.2490   50.364   6.5863   51.849   9.6898   49.089   8.9797  133.653   13.417  130.495   12.734 3.158417 18.49796 
1 1 1   -7    6   67 o   61.910   14.928   12.775   5.9802   12.273   9.0010   13.172   8.0015   60.979   21.702   62.842   20.504 -1.863178 29.85611 
1 1 1   -7    6   68 o  155.859   8.1296   70.360   6.8196   78.619   10.172   63.616   9.1914  164.130   11.469  147.587   11.525 16.54265 16.25927 
1 1 1   -7    6   69 o  168.758   7.7047   83.094   6.9980   85.629   10.425   81.015   9.4417  170.599   11.308  166.918   10.468 3.681305 15.40945 
1 1 1   -7    7    1 o  773.481   13.399  1617.89   56.002   0.0000   0.0000  1617.89   56.002  ?   ?   773.481   13.399      ?      ? 
1 1 1   -7    7    3 o  1205.41   14.423  3933.99   93.946  3948.26  133.374  3919.93  132.352  1207.57   20.439  1203.24   20.356 4.330566 28.84669 
1 1 1   -7    7    5 o  413.196   5.6209  461.324   12.549  454.448   17.573  468.477   17.925  410.056   7.9309  416.336   7.9675 -6.280609 11.24189 
1 1 1   -7    7    6 o  1080.10   12.976  3157.01   75.725  3185.14  108.121  3129.93  106.092  1084.81   18.445  1075.38   18.257 9.423950 25.95230 
1 1 1   -7    7    7 o  399.541   5.4859  431.432   11.844  428.778   16.713  434.108   16.787  398.307   7.7651  400.775   7.7513 -2.468353 10.97174 
1 1 1   -7    7    8 o  1893.53   22.510  9741.75  230.309  9799.07  327.842  9685.89  323.612  1898.99   31.949  1888.06   31.719 10.92200 45.02025 
1 1 1   -7    7   10 o  738.488   9.0867  1475.30   36.261  1476.09   51.337  1474.53   51.224  738.683   12.861  738.294   12.840 0.3888550 18.17338 
1 1 1   -7    7   11 o  525.970   6.7676  747.992   19.233  753.098   27.429  743.053   26.975  527.733   9.6186  524.206   9.5228 3.526978 13.53520 
1 1 1   -7    7   12 o  655.815   8.1781  1163.48   28.979  1152.10   40.655  1175.24   41.317  652.556   11.530  659.073   11.601 -6.517334 16.35614 
1 1 1   -7    7   13 o  467.057   6.1768  589.656   15.585  598.216   22.366  581.576   21.728  470.349   8.7999  463.766   8.6702 6.582153 12.35359 
1 1 1   -7    7   14 o  626.188   7.8573  1060.40   26.579  1043.00   37.034  1078.89   38.168  620.898   11.038  631.478   11.185 -10.58008 15.71465 
1 1 1   -7    7   15 o  381.496   5.3502  393.481   11.029  393.773   15.637  393.192   15.558  381.637   7.5827  381.356   7.5499 0.2802734 10.70038 
1 1 1   -7    7   17 o  342.416   7.0282  316.496   12.989  302.928   17.853  331.757   18.934  334.638   9.8728  350.194   10.006 -15.55569 14.05644 
1 1 1   -7    7   19 o  890.475   21.834  2156.76  105.062  2156.76  105.062   0.0000   0.0000  890.475   21.834  ?   ?       ?      ? 
1 1 1   -7    7   20 o  573.118   10.426  890.275   32.288  884.685   45.499  895.946   45.827  571.306   14.738  574.929   14.751 -3.622986 20.85200 
1 1 1   -7    7   21 o  737.375   11.155  1485.01   42.290  1438.29   71.263  1510.41   52.541  727.948   18.117  746.801   13.020 -18.85291 22.30983 
1 1 1   -7    7   22 o  430.517   5.8623  500.904   13.630  510.152   19.679  492.377   18.896  434.329   8.3849  426.705   8.1952 7.624603 11.72464 
1 1 1   -7    7   23 o  541.858   6.9951  793.983   20.477  780.063   28.597  808.630   29.335  536.988   9.8553  546.727   9.9295 -9.738831 13.99011 
1 1 1   -7    7   24 o  181.322   4.5667   88.816   4.4673   89.834   6.5214   87.916   6.1319  182.298   6.6202  180.345   6.2922 1.952499 9.133394 
1 1 1   -7    7   25 o  447.363   6.0567  540.975   14.639  529.757   20.498  552.654   20.914  442.631   8.5701  452.096   8.5610 -9.465088 12.11347 
1 1 1   -7    7   26 o  589.857   7.5251  940.836   23.981  925.830   33.534  956.542   34.308  585.047   10.607  594.667   10.677 -9.619995 15.05016 
1 1 1   -7    7   27 o  850.027   10.395  1955.92   47.744  1966.95   68.003  1945.20   67.048  852.383   14.764  847.672   14.638 4.711060 20.79035 
1 1 1   -7    7   28 o  1012.16   12.245  2774.46   66.968  2752.92   94.027  2796.64   95.402  1008.18   17.259  1016.14   17.375 -7.957275 24.49011 
1 1 1   -7    7   29 o  429.328   5.9585  497.824   13.816  484.059   19.168  512.710   19.933  423.158   8.3826  435.498   8.4704 -12.34045 11.91704 
1 1 1   -7    7   30 o  611.782   7.7860  1011.04   25.719  983.406   35.509  1041.53   37.301  603.007   10.897  620.557   11.124 -17.55084 15.57202 
1 1 1   -7    7   31 o  819.491   10.078  1811.73   44.516  1738.57   60.429  1898.55   65.826  801.490   13.953  837.492   14.545 -36.00250 20.15561 
1 1 1   -7    7   32 o  1329.37   15.934  4793.98  114.421  4719.61  159.219  4873.42  164.546  1318.76   22.343  1339.98   22.725 -21.21521 31.86884 
1 1 1   -7    7   33 o  786.529   9.7208  1674.22   41.312  1660.91   58.054  1687.87   58.802  783.365   13.714  789.692   13.780 -6.326904 19.44155 
1 1 1   -7    7   34 o  469.822   6.4576  596.438   16.387  581.954   22.752  612.047   23.620  463.903   9.0764  475.741   9.1881 -11.83786 12.91517 
1 1 1   -7    7   35 o  650.512   8.2786  1144.95   29.097  1129.21   40.755  1161.32   41.554  645.955   11.676  655.068   11.739 -9.113098 16.55716 
1 1 1   -7    7   36 o  524.130   7.0411  743.044   19.940  746.936   28.434  739.278   27.970  525.477   10.014  522.784   9.9011 2.694031 14.08222 
1 1 1   -7    7   37 o  1368.44   16.446  5094.49  121.612  5079.62  171.578  5109.50  172.395  1366.44   23.237  1370.44   23.280 -3.995361 32.89228 
1 1 1   -7    7   38 o  337.910   5.8109  308.883   10.607  303.806   15.110  313.815   14.894  335.167   8.3427  340.653   8.0911 -5.485870 11.62179 
1 1 1   -7    7   39 o  329.458   5.7963  293.693   10.312  281.939   14.598  305.401   14.570  322.869   8.3673  336.048   8.0234 -13.17923 11.59255 
1 1 1   -7    7   40 o  1169.10   14.153  3719.18   89.407  3691.44  125.602  3747.68  127.298  1164.70   19.957  1173.49   20.075 -8.787720 28.30675 
1 1 1   -7    7   41 o  384.740   6.0428  400.436   12.561  391.118   17.666  409.964   17.864  380.210   8.5986  389.269   8.4926 -9.059265 12.08555 
1 1 1   -7    7   42 o  339.995   5.8043  312.537   10.659  302.846   14.798  322.984   15.365  334.525   8.1862  345.465   8.2308 -10.93991 11.60862 
1 1 1   -7    7   43 o  150.765   7.3958   61.593   5.9782   51.779   8.2842   72.257   8.6355  138.206   11.093  163.324   9.7847 -25.11800 14.79151 
1 1 1   -7    7   44 o  284.943   5.7046  219.868   8.7807  216.190   12.510  223.441   12.328  282.585   8.1924  287.302   7.9407 -4.716827 11.40922 
1 1 1   -7    7   45 o  206.023   6.1872  115.031   6.8844  114.170   9.8783  115.845   9.5996  205.262   8.9061  206.784   8.5911 -1.521500 12.37438 
1 1 1   -7    7   46 o  410.370   6.2672  456.264   13.883  462.345   20.150  450.769   19.156  412.945   9.0301  407.795   8.6931 5.150238 12.53447 
1 1 1   -7    7   47 o  229.452   7.9451  142.794   9.8295  130.135   13.573  156.757   14.255  218.751   11.482  240.152   10.984 -21.40080 15.89024 
1 1 1   -7    7   48 o  220.380   7.9522  132.153   9.4662  127.162   13.216  137.410   13.565  216.100   11.318  224.661   11.174 -8.560974 15.90437 
1 1 1   -7    7   49 o  150.002   7.4000   60.624   5.9687   68.650   8.9592   54.219   8.0034  158.844   10.438  141.160   10.492 17.68387 14.80000 
1 1 1   -7    7   50 o  154.549   9.0113   66.984   7.1796   71.654   9.0941   59.257   11.698  162.196   10.376  146.901   14.736 15.29535 18.02261 
1 1 1   -7    7   51 o   54.945   15.688   3.9682   7.3233  -0.0146   10.982   7.1577   9.8274   51.231   22.019   58.659   22.352 -7.427803 31.37589 
1 1 1   -7    7   52 o  190.995   9.1290  100.329   9.3868   98.356   13.803  102.027   12.803  189.099   13.508  192.892   12.283 -3.792786 18.25795 
1 1 1   -7    7   53 o  186.276   8.2210   91.038   7.4338  104.707   14.470   86.138   8.6645  194.808   13.746  177.744   9.0211 17.06410 16.44201 
1 1 1   -7    7   54 o  188.820   6.3359   97.374   6.4363   97.231   9.5544   97.493   8.7088  188.598   9.3752  189.042   8.5253 -0.4442444 12.67184 
1 1 1   -7    7   55 o   68.010   13.627   13.508   5.2263   14.193   7.6873   12.919   7.1266   69.521   19.612   66.499   18.926 3.021667 27.25483 
1 1 1   -7    7   56 o  207.865   6.1136  117.760   6.8178  121.908   10.351  114.581   9.0611  210.952   9.0804  204.777   8.1886 6.175018 12.22727 
1 1 1   -7    7   57 o  156.506   7.1219   67.908   5.9731   62.708   8.8110   72.330   8.1251  150.698   10.820  162.315   9.2637 -11.61702 14.24390 
1 1 1   -7    7   58 o   83.833   12.089   21.110   5.2979   17.170   8.1025   24.052   7.0021   75.253   19.696   92.413   14.022 -17.15982 24.17752 
1 1 1   -7    7   59 o   74.213   13.319   16.235   5.3636   20.869   8.1985   12.768   7.0919   83.199   18.692   65.226   18.977 17.97302 26.63710 
1 1 1   -7    7   60 o  165.881   8.3480   76.726   6.9817   77.860   12.333   76.192   8.4696  165.738   13.771  166.024   9.4407 -0.2860565 16.69597 
1 1 1   -7    7   61 o   86.310   13.654   25.360   6.1837   14.439   10.745   30.769   7.5615   68.579   23.766  104.042   13.450 -35.46305 27.30779 
1 1 1   -7    7   62 o  104.425   12.441   32.901   6.6710   34.550   8.6935   30.541   10.403  109.630   14.675   99.219   20.093 10.41094 24.88142 
1 1 1   -7    7   63 o  106.814   10.228   32.839   5.8738   34.930   8.8513   31.193   7.8519  109.594   14.946  104.035   13.967 5.559235 20.45667 
1 1 1   -7    7   64 o   69.600   14.490   15.583   5.7793   15.545   8.8994   15.610   7.5999   69.194   21.518   70.006   19.413 -0.8116150 28.98078 
1 1 1   -7    7   65 o   97.884   11.985   29.571   6.1305   28.722   9.2284   30.242   8.2017   94.943   18.653  100.826   15.054 -5.882706 23.96983 
1 1 1   -7    7   66 o  148.404   12.845   63.498   10.301   63.498   10.301   0.0000   0.0000  148.404   12.845  ?   ?       ?      ? 
1 1 1   -7    7   67 o  127.081   9.5034   48.436   6.4997   50.016   9.6844   47.140   8.7678  128.463   13.951  125.700   12.908 2.762596 19.00670 
1 1 1   -7    7   68 o   48.622   14.007   5.7106   5.9199   2.3907   9.0654   8.1788   7.8167   45.156   19.703   52.088   19.914 -6.932026 28.01367 
1 1 1   -7    7   69 o   86.005   13.546   26.292   6.1079   23.635   9.2851   28.319   8.1094   79.592   21.207   92.418   16.860 -12.82507 27.09185 
1 1 1   -7    8    1 o  1562.99   26.354  6626.22  222.584  6626.22  222.584   0.0000   0.0000  1562.99   26.354  ?   ?       ?      ? 
1 1 1   -7    8    2 o  1151.62   13.817  3590.56   85.971  3620.02  122.638  3562.08  120.552  1156.25   19.628  1146.98   19.451 9.267944 27.63322 
1 1 1   -7    8    3 o  878.002   15.097  2085.56   71.628   0.0000   0.0000  2085.56   71.628  ?   ?   878.002   15.097      ?      ? 
1 1 1   -7    8    4 o  640.845   11.352  1110.45   39.309   0.0000   0.0000  1110.45   39.309  ?   ?   640.845   11.352      ?      ? 
1 1 1   -7    8    5 o  1514.21   18.084  6220.71  147.967  6209.43  209.018  6232.04  209.495  1512.83   25.569  1515.58   25.580 -2.748535 36.16774 
1 1 1   -7    8    6 o  719.686   8.8973  1400.96   34.601  1403.36   49.089  1398.59   48.777  720.297   12.612  719.075   12.553 1.221802 17.79463 
1 1 1   -7    8    7 o  353.601   5.1288  337.668   9.7932  345.559   14.168  330.450   13.551  357.551   7.3332  349.650   7.1724 7.900848 10.25763 
1 1 1   -7    8    9 o  238.324   4.3683  153.518   5.6255  153.472   7.9854  153.564   7.9262  238.288   6.2016  238.360   6.1538 -0.7203674E-01 8.736683 
1 1 1   -7    8   10 o  385.701   5.4068  401.503   11.256  415.891   16.409  388.716   15.469  392.214   7.7422  379.189   7.5494 13.02438 10.81368 
1 1 1   -7    8   11 f  463.971   6.1682  582.078   15.464  577.325   21.799  586.893   21.941  462.064   8.7307  465.878   8.7154 -3.813965 12.33631 
1 1 1   -7    8   12 o  424.198   8.1720  486.540   18.732   0.0000   0.0000  486.540   18.732  ?   ?   424.198   8.1720      ?      ? 
1 1 1   -7    8   13 o  679.000   8.4612  1247.31   31.038  1229.59   43.351  1265.96   44.460  674.057   11.902  683.942   12.030 -9.884949 16.92245 
1 1 1   -7    8   14 o  607.168   7.6728  997.437   25.174  997.734   35.663  997.143   35.539  607.257   10.868  607.080   10.834 0.1770630 15.34552 
1 1 1   -7    8   15 o  283.872   5.7108  222.292   8.3838  201.892   13.698  234.512   10.602  273.211   9.2782  294.533   6.6611 -21.32135 11.42170 
1 1 1   -7    8   18 o  220.087   9.2721  131.036   11.027  131.036   11.027   0.0000   0.0000  220.087   9.2721  ?   ?       ?      ? 
1 1 1   -7    8   19 o  532.675   9.8292  768.769   28.292  763.964   39.858  773.649   40.164  530.999   13.891  534.352   13.910 -3.352966 19.65838 
1 1 1   -7    8   20 o  953.617   11.586  2462.21   59.628  2393.29   81.921  2539.87   86.958  939.499   16.136  967.736   16.629 -28.23724 23.17127 
1 1 1   -7    8   21 o  254.975   4.5501  175.638   6.2623  177.992   9.0961  173.517   8.6344  256.595   6.5602  253.354   6.3069 3.240540 9.100166 
1 1 1   -7    8   22 o  742.749   9.1875  1493.19   36.865  1470.38   51.440  1517.27   52.860  736.929   12.918  748.569   13.068 -11.64032 18.37493 
1 1 1   -7    8   23 o  548.339   7.0902  812.472   20.996  790.427   29.075  836.495   30.351  540.578   9.9534  556.099   10.100 -15.52069 14.18041 
1 1 1   -7    8   24 o  885.662   10.802  2123.56   51.680  2089.58   72.003  2159.66   74.221  878.373   15.170  892.952   15.382 -14.57916 21.60399 
1 1 1   -7    8   25 o  986.723   11.964  2637.72   63.785  2612.15   89.397  2664.23   91.035  981.865   16.849  991.581   16.990 -9.716064 23.92830 
1 1 1   -7    8   26 o  942.771   11.462  2406.55   58.379  2375.43   81.598  2439.20   83.558  936.539   16.124  949.003   16.294 -12.46448 22.92315 
1 1 1   -7    8   27 o  863.897   10.562  2017.86   49.264  1968.66   67.989  2072.25   71.482  852.841   14.753  874.953   15.119 -22.11206 21.12426 
1 1 1   -7    8   28 o  641.635   8.1091  1113.47   28.116  1110.52   39.759  1116.42   39.764  640.784   11.482  642.487   11.453 -1.702759 16.21814 
1 1 1   -7    8   29 o  880.945   10.765  2100.59   51.240  2082.68   71.928  2119.04   73.013  877.137   15.175  884.752   15.272 -7.614502 21.52949 
1 1 1   -7    8   30 f  395.276   5.7361  421.926   12.240  432.212   17.784  412.668   16.872  399.844   8.2311  390.707   7.9913 9.137878 11.47221 
1 1 1   -7    8   31 o  320.496   5.2298  277.718   9.0553  272.662   12.853  282.701   12.760  317.597   7.4891  323.394   7.3018 -5.797699 10.45962 
1 1 1   -7    8   32 o  596.299   7.6764  961.713   24.734  963.498   35.175  959.968   34.786  596.843   10.906  595.755   10.806 1.088379 15.35282 
1 1 1   -7    8   33 o  257.649   5.1861  179.500   7.2176  173.764   10.207  185.238   10.208  253.529   7.4502  261.770   7.2165 -8.240921 10.37229 
1 1 1   -7    8   34 o  620.603   7.9672  1042.17   26.718  1039.53   37.823  1044.80   37.746  619.817   11.293  621.388   11.241 -1.571228 15.93431 
1 1 1   -7    8   35 o  679.137   8.5960  1248.10   31.542  1230.90   44.188  1265.97   45.038  674.370   12.126  683.904   12.187 -9.533875 17.19195 
1 1 1   -7    8   36 o  604.794   7.8706  989.013   25.711  963.959   35.729  1015.92   37.027  596.861   11.078  612.727   11.183 -15.86664 15.74119 
1 1 1   -7    8   37 o  643.576   8.3268  1121.20   28.958  1113.74   40.907  1128.68   40.998  641.429   11.802  645.722   11.750 -4.293091 16.65366 
1 1 1   -7    8   38 o  620.118   11.388  1040.86   38.160   0.0000   0.0000  1040.86   38.160  ?   ?   620.118   11.388      ?      ? 
1 1 1   -7    8   39 o  760.370   9.5249  1566.99   39.136  1560.73   55.319  1573.27   55.373  758.846   13.491  761.894   13.450 -3.047546 19.04988 
1 1 1   -7    8   40 o  113.645   9.5146   35.064   5.8025   29.917   8.0966   40.498   8.3199  105.035   14.265  122.255   12.594 -17.21965 19.02912 
1 1 1   -7    8   41 f  374.836   5.9920  380.046   12.131  364.439   16.977  396.330   17.342  366.970   8.5614  382.703   8.3857 -15.73218 11.98406 
1 1 1   -7    8   42 o  164.629   7.0949   73.691   6.2872   69.203   9.1152   77.763   8.6833  159.808   10.556  169.451   9.4832 -9.642441 14.18982 
1 1 1   -7    8   43 o  355.486   5.8845  341.172   11.280  356.023   16.615  328.474   15.363  362.629   8.4790  348.342   8.1619 14.28653 11.76898 
1 1 1   -7    8   44 o  223.629   6.0321  135.352   7.2835  137.830   10.549  133.095   10.068  225.575   8.6546  221.682   8.4049 3.893204 12.06419 
1 1 1   -7    8   45 o  355.111   5.9057  341.628   11.322  342.947   16.383  340.423   15.665  355.746   8.5223  354.476   8.1779 1.270020 11.81134 
1 1 1   -7    8   46 o  269.142   7.7520  196.511   11.242  200.586   16.605  193.063   15.276  271.665   11.311  266.618   10.603 5.047241 15.50409 
1 1 1   -7    8   47 f  202.330   8.3673  111.823   9.1163  105.631   13.209  117.455   12.598  196.885   12.416  207.775   11.220 -10.88927 16.73455 
1 1 1   -7    8   48 o  245.395   5.8504  162.399   7.7261  174.463   11.583  152.730   10.370  253.530   8.4551  237.260   8.0883 16.27008 11.70080 
1 1 1   -7    8   49 o  406.155   7.6267  445.121   15.748  437.227   19.174  461.487   27.608  401.200   8.8443  411.111   12.428 -9.911072 15.25339 
1 1 1   -7    8   50 o  193.660   7.7581  100.655   7.8743   95.743   9.8839  109.189   13.028  187.501   9.7552  199.818   12.066 -12.31683 15.51618 
1 1 1   -7    8   51 o  120.851   14.209   45.738   8.3571   24.032   12.535   63.108   11.213   90.213   24.898  151.488   13.698 -61.27451 28.41764 
1 1 1   -7    8   52 o  185.396   9.4952   94.699   9.4568   93.694   14.112   95.518   12.741  184.309   14.170  186.483   12.644 -2.174194 18.99048 
1 1 1   -7    8   53 o   64.448   13.964   11.848   5.2957   11.848   8.0185   11.848   7.0527   64.710   20.471   64.186   18.997 0.5243454 27.92702 
1 1 1   -7    8   54 o  136.103   7.7044   51.519   5.5882   45.461   8.2856   56.574   7.5688  128.449   11.937  143.757   9.7433 -15.30893 15.40888 
1 1 1   -7    8   55 o  145.070   7.4132   57.272   5.7813   63.547   8.7309   52.373   7.7151  152.046   10.627  138.094   10.339 13.95149 14.82634 
1 1 1   -7    8   56 o   90.312   11.364   23.398   5.3825   23.424   8.1138   23.377   7.1932   89.350   17.431   91.273   14.584 -1.923119 22.72765 
1 1 1   -7    8   57 o  288.159   5.7265  226.982   8.8919  230.779   13.119  223.755   12.094  290.263   8.3641  286.055   7.8239 4.207947 11.45299 
1 1 1   -7    8   58 o  114.329   9.1030   36.758   5.5767   35.381   8.3454   37.869   7.4960  112.091   13.778  116.567   11.900 -4.475784 18.20593 
1 1 1   -7    8   59 o  154.353   7.3296   65.569   6.0914   72.991   9.0570   59.439   8.2311  162.286   10.328  146.421   10.403 15.86543 14.65927 
1 1 1   -7    8   60 o  229.047   6.0847  144.750   7.5154  141.595   10.913  147.597   10.365  226.504   8.9161  231.589   8.2824 -5.085236 12.16947 
1 1 1   -7    8   61 o  121.518   10.898   43.366   6.6596   40.676   11.511   44.719   8.1647  117.056   18.199  125.980   11.994 -8.923851 21.79527 
1 1 1   -7    8   62 o   90.702   12.407   24.493   5.7940   27.948   9.0721   22.114   7.5296   95.777   18.194   85.626   16.873 10.15100 24.81413 
1 1 1   -7    8   63 o  139.868   9.6911   56.723   7.1987   58.782   9.4798   53.919   11.064  143.785   12.201  135.950   15.060 7.834976 19.38229 
1 1 1   -7    8   64 o  200.223   6.9516  113.663   7.4477   99.063   10.747  127.153   10.331  187.083   10.631  213.362   8.9603 -26.27950 13.90327 
1 1 1   -7    8   65 o  157.485   8.0627   70.106   6.8123   75.501   10.399   66.050   9.0161  162.421   11.849  152.549   10.938 9.872650 16.12535 
1 1 1   -7    8   66 o  129.296   9.7924   49.818   6.6776   42.921   10.078   55.215   8.9155  119.859   15.561  138.734   11.893 -18.87415 19.58477 
1 1 1   -7    8   67 o   61.435   13.916   11.273   6.1506   23.843   9.2043   1.1313   8.2674   81.337   20.846   41.533   18.440 39.80314 27.83144 
1 1 1   -7    8   68 o   49.552   13.389   2.7831   5.9327   16.002   8.9463  -7.5927   7.9261   66.281   21.683   32.824   15.712 33.45759 26.77744 
1 1 1   -7    9    2 o  740.203   9.1540  1482.72   36.614  1479.04   51.672  1486.43   51.889  739.281   12.935  741.125   12.957 -1.843140 18.30810 
1 1 1   -7    9    3 o  556.338   10.106  837.093   30.382   0.0000   0.0000  837.093   30.382  ?   ?   556.338   10.106      ?      ? 
1 1 1   -7    9    4 o  485.555   6.4466  637.516   16.914  639.754   24.017  635.314   23.825  486.400   9.1376  484.711   9.0961 1.689087 12.89318 
1 1 1   -7    9    5 o  326.302   6.9823  287.818   12.311   0.0000   0.0000  287.818   12.311  ?   ?   326.302   6.9823      ?      ? 
1 1 1   -7    9    7 o  692.426   8.6268  1297.17   32.274  1280.52   45.169  1314.54   46.130  687.891   12.152  696.961   12.249 -9.069092 17.25363 
1 1 1   -7    9   10 o  733.166   9.0789  1453.77   35.943  1487.37   52.033  1423.10   49.708  741.246   12.991  725.086   12.687 16.15948 18.15780 
1 1 1   -7    9   11 o  542.124   7.0049  794.977   20.520  794.153   29.015  795.802   29.025  541.842   9.9098  542.405   9.9029 -0.5629272 14.00970 
1 1 1   -7    9   12 o  840.800   10.294  1914.90   46.771  1907.31   65.931  1922.58   66.359  839.126   14.540  842.473   14.577 -3.347046 20.58875 
1 1 1   -7    9   13 o  543.370   9.9636  798.463   29.222  824.775   42.562  775.000   40.192  551.807   14.274  534.932   13.905 16.87512 19.92711 
1 1 1   -7    9   16 o  376.452   11.000  383.559   22.376  383.559   22.376   0.0000   0.0000  376.452   11.000  ?   ?       ?      ? 
1 1 1   -7    9   17 o  907.585   15.720  2241.78   77.098  2241.89  109.117  2241.67  108.948  907.603   22.249  907.567   22.215 0.3558350E-01 31.44095 
1 1 1   -7    9   18 o  356.358   5.2811  343.269   10.167  332.790   14.252  354.128   14.508  350.820   7.5180  361.896   7.4188 -11.07632 10.56215 
1 1 1   -7    9   19 o  547.802   7.0986  811.851   21.013  806.404   29.631  817.360   29.802  545.954   10.044  549.651   10.034 -3.697205 14.19729 
1 1 1   -7    9   20 o  448.926   6.1118  544.140   14.813  523.708   20.426  566.805   21.513  440.055   8.5900  457.798   8.6965 -17.74298 12.22361 
1 1 1   -7    9   21 o  348.665   5.2356  328.575   9.8601  331.909   14.181  325.455   13.719  350.374   7.4901  346.956   7.3175 3.417847 10.47128 
1 1 1   -7    9   22 o  502.987   6.6497  684.116   18.072  673.999   25.390  694.506   25.730  499.218   9.4119  506.757   9.3963 -7.538422 13.29942 
1 1 1   -7    9   23 o  699.935   8.7414  1325.73   33.062  1320.21   46.684  1331.29   46.830  698.473   12.369  701.398   12.356 -2.925598 17.48289 
1 1 1   -7    9   24 o  193.093   4.7567  101.005   4.9389   98.364   7.3032  103.231   6.7044  190.757   7.0851  195.429   6.3487 -4.672348 9.513404 
1 1 1   -7    9   25 o  530.637   6.9600  761.307   19.955  751.521   28.005  771.401   28.442  527.174   9.8309  534.100   9.8548 -6.926086 13.91990 
1 1 1   -7    9   26 o  771.738   9.5397  1611.19   39.777  1591.81   55.692  1631.37   56.832  767.006   13.437  776.470   13.545 -9.463928 19.07942 
1 1 1   -7    9   27 o  240.836   4.8519  156.441   6.3070  163.811   9.1908  149.882   8.6708  246.185   6.9088  235.487   6.8140 10.69760 9.703742 
1 1 1   -7    9   28 o  297.261   5.0234  238.806   8.0653  240.109   11.598  237.585   11.223  298.045   7.2015  296.478   7.0054 1.567200 10.04673 
1 1 1   -7    9   29 o  1341.79   16.081  4885.58  116.582  4839.79  163.315  4933.15  166.473  1335.41   22.632  1348.17   22.851 -12.75977 32.16194 
1 1 1   -7    9   30 o  499.170   6.7106  673.423   18.096  658.107   25.256  689.581   25.942  493.341   9.4739  504.999   9.5064 -11.65808 13.42113 
1 1 1   -7    9   31 o  409.856   5.9465  453.901   13.166  441.958   18.372  466.510   18.878  404.317   8.4091  415.395   8.4102 -11.07855 11.89303 
1 1 1   -7    9   32 o  184.657   5.6855   92.215   5.6689   91.460   8.1581   92.920   7.8831  183.924   8.2085  185.391   7.8690 -1.467529 11.37106 
1 1 1   -7    9   33 o  770.169   9.5784  1605.95   39.861  1593.71   56.100  1618.43   56.649  767.208   13.532  773.130   13.560 -5.922302 19.15676 
1 1 1   -7    9   34 o  561.396   7.4092  852.071   22.469  829.370   31.283  876.261   32.292  553.679   10.456  569.112   10.501 -15.43378 14.81846 
1 1 1   -7    9   35 o  411.181   6.1414  457.283   13.643  448.204   19.320  466.312   19.268  407.105   8.7826  415.256   8.5869 -8.150970 12.28287 
1 1 1   -7    9   36 o  559.641   7.4638  845.894   22.548  812.799   31.032  882.908   32.818  548.073   10.478  571.209   10.632 -23.13586 14.92758 
1 1 1   -7    9   38 o  948.454   11.632  2441.26   59.613  2426.90   84.031  2455.82   84.582  945.646   16.445  951.262   16.455 -5.615723 23.26332 
1 1 1   -7    9   39 o  343.006   5.9178  318.336   10.967  312.490   15.547  324.126   15.472  339.866   8.4654  346.146   8.2716 -6.280518 11.83562 
1 1 1   -7    9   40 o  972.671   11.928  2567.04   62.621  2493.52   86.069  2649.73   91.278  957.977   16.627  987.365   17.108 -29.38776 23.85653 
1 1 1   -7    9   41 f  149.893   7.7815   61.967   6.1915   51.474   9.0773   71.097   8.4669  137.764   12.194  162.022   9.6707 -24.25850 15.56304 
1 1 1   -7    9   42 o  548.924   7.3648  816.551   21.845  809.002   30.824  824.168   30.963  546.372   10.440  551.477   10.390 -5.105225 14.72963 
1 1 1   -7    9   43 o   87.372   12.385   21.416   5.7241   18.339   8.2515   24.270   7.9474   80.329   19.259   94.415   15.578 -14.08559 24.77042 
1 1 1   -7    9   44 o  771.644   9.7344  1620.43   40.582  1628.71   58.028  1612.50   56.775  773.527   13.883  769.762   13.649 3.765198 19.46879 
1 1 1   -7    9   45 o  187.071   8.7855   94.700   8.8534  101.577   13.171   89.032   11.958  193.214   12.615  180.928   12.231 12.28629 17.57100 
1 1 1   -7    9   46 o  348.290   8.1001  329.355   15.224  306.306   21.076  354.504   22.015  335.537   11.624  361.044   11.284 -25.50684 16.20029 
1 1 1   -7    9   47 o  249.554   5.9471  169.080   8.0120  167.254   11.552  170.772   11.121  248.228   8.6124  250.879   8.2036 -2.650681 11.89427 
1 1 1   -7    9   48 o  286.627   7.2234  217.062   10.456  206.249   12.562  241.441   18.863  275.652   8.4337  297.602   11.730 -21.95023 14.44686 
1 1 1   -7    9   49 o   87.530   14.695   19.859   6.7576   13.201   8.3220   32.748   11.579   68.428   20.723  106.632   20.842 -38.20444 29.39092 
1 1 1   -7    9   50 o   48.735   15.181  -2.1470   7.6480  -2.6689   12.062  -1.7962   9.8903   50.820   22.432   46.651   20.461 4.168518 30.36226 
1 1 1   -7    9   51 f   71.367   14.390   10.901   7.8801 -10.4212   11.652   28.874   10.698   43.096   20.147   99.639   20.551 -56.54324 28.77942 
1 1 1   -7    9   52 f  206.378   7.8989  110.725   7.8488  130.090   15.554  104.109   9.0912  217.277   13.248  195.478   8.6067 21.79852 15.79787 
1 1 1   -7    9   53 o  241.969   5.8455  158.508   7.6039  170.564   11.480  149.085   10.150  250.046   8.4964  233.892   8.0306 16.15369 11.69093 
1 1 1   -7    9   54 o  126.898   8.3274   44.786   5.6439   41.132   8.4293   47.756   7.5985  121.937   12.793  131.859   10.664 -9.922501 16.65488 
1 1 1   -7    9   55 o   82.884   12.398   20.158   5.3384   20.235   8.1315   20.100   7.0772   82.660   18.648   83.108   16.341 -0.4474106 24.79535 
1 1 1   -7    9   56 o  269.176   5.7631  197.158   8.3359  207.760   12.590  188.883   11.123  275.457   8.4584  262.895   7.8299 12.56241 11.52617 
1 1 1   -7    9   57 o   69.581   13.585   14.602   5.2502   14.166   8.0198   14.928   6.9455   68.587   20.245   70.574   18.119 -1.987442 27.16968 
1 1 1   -7    9   58 o  146.860   7.6399   59.446   6.0337   63.544   9.0862   56.214   8.0698  151.247   11.118  142.472   10.482 8.774750 15.27980 
1 1 1   -7    9   59 o  153.442   7.5409   65.093   6.2109   68.684   9.4345   62.347   8.2510  156.963   11.123  149.921   10.185 7.042358 15.08175 
1 1 1   -7    9   60 o   91.722   11.976   24.959   5.6735   26.980   8.6859   23.454   7.4927   94.650   17.632   88.794   16.213 5.855545 23.95286 
1 1 1   -7    9   61 o  207.233   6.4980  118.397   7.2439  124.530   10.867  113.493   9.7175  211.870   9.4923  202.596   8.8764 9.274490 12.99592 
1 1 1   -7    9   62 o   39.963   12.710  -2.9653   6.0095 -15.7320   11.153   2.2584   7.1338   36.672   17.818   43.255   18.130 -6.582783 25.42029 
1 1 1   -7    9   63 o  220.001   7.7071  134.544   8.9354  128.301   11.334  144.797   14.525  214.227   9.7906  225.776   11.906 -11.54897 15.41426 
1 1 1   -7    9   64 f   61.217   14.296   10.334   6.7790   21.398   9.1609  -3.0563   10.078   79.957   20.951   42.476   19.458 37.48029 28.59256 
1 1 1   -7    9   65 o  168.973   10.509   80.617   9.5958   0.0000   0.0000   80.617   9.5958  ?   ?   168.973   10.509      ?      ? 
1 1 1   -7    9   66 o  134.473   9.4370   54.999   6.6371   42.741   9.7357   65.643   9.0721  118.265   15.234  150.680   11.142 -32.41470 18.87398 
1 1 1   -7    9   67 f  111.469   10.665   37.923   6.3612   38.742   9.7043   37.306   8.4232  111.622   16.089  111.317   14.003 0.3050156 21.32950 
1 1 1   -7    9   68 f   59.347   15.118   12.614   6.1460   16.085   9.5519   10.162   8.0286   64.463   22.404   54.231   20.306 10.23288 30.23665 
1 1 1   -7   10    3 o  668.524   8.3894  1209.42   30.306  1210.37   42.972  1208.47   42.748  668.784   11.891  668.264   11.838 0.5200195 16.77876 
1 1 1   -7   10    9 o  314.637   9.9021  267.793   16.835   0.0000   0.0000  267.793   16.835  ?   ?   314.637   9.9021      ?      ? 
1 1 1   -7   10   10 o  1457.39   24.893  5826.11  195.996  5894.14  280.553  5761.26  273.925  1465.55   35.426  1449.22   34.979 16.33362 49.78528 
1 1 1   -7   10   11 o  535.066   13.947  775.450   40.325   0.0000   0.0000  775.450   40.325  ?   ?   535.066   13.947      ?      ? 
1 1 1   -7   10   14 o  229.577   10.088  142.613   12.515  142.613   12.515   0.0000   0.0000  229.577   10.088  ?   ?       ?      ? 
1 1 1   -7   10   15 o  693.187   17.416  1304.05   65.235  1304.05   65.235   0.0000   0.0000  693.187   17.416  ?   ?       ?      ? 
1 1 1   -7   10   16 o  600.364   7.6742  975.200   24.890  985.991   35.663  964.951   34.756  603.594   10.934  597.134   10.771 6.460022 15.34838 
1 1 1   -7   10   17 o  378.346   5.4983  387.008   11.240  379.387   15.796  394.825   15.997  374.572   7.8041  382.120   7.7473 -7.547394 10.99663 
1 1 1   -7   10   18 o  572.250   7.3922  885.992   22.856  889.265   32.561  882.813   32.092  573.287   10.511  571.213   10.397 2.074524 14.78431 
1 1 1   -7   10   19 o  511.448   6.7529  707.375   18.661  695.859   26.141  719.341   26.646  507.205   9.5379  515.690   9.5623 -8.485168 13.50587 
1 1 1   -7   10   20 o  333.220   5.1893  299.999   9.3367  304.588   13.514  295.808   12.915  335.654   7.4508  330.787   7.2251 4.867004 10.37867 
1 1 1   -7   10   21 o  381.764   5.5655  393.975   11.477  395.997   16.484  392.073   15.989  382.712   7.9706  380.817   7.7698 1.894806 11.13105 
1 1 1   -7   10   22 o  1238.12   14.882  4158.98   99.536  4217.28  142.910  4104.06  138.714  1246.50   21.217  1229.75   20.875 16.75549 29.76412 
1 1 1   -7   10   23 o  793.169   9.7878  1702.82   41.950  1694.67   59.162  1711.07   59.492  791.260   13.837  795.077   13.847 -3.817566 19.57551 
1 1 1   -7   10   24 o  826.906   10.169  1850.23   45.429  1825.94   63.491  1875.70   65.029  821.355   14.305  832.457   14.456 -11.10187 20.33786 
1 1 1   -7   10   25 o  556.075   7.2626  836.167   21.822  833.827   30.948  838.482   30.776  555.299   10.314  556.851   10.228 -1.551575 14.52517 
1 1 1   -7   10   26 o  484.335   6.5480  634.234   17.137  632.846   24.330  635.600   24.141  483.807   9.3064  484.862   9.2139 -1.055023 13.09600 
1 1 1   -7   10   27 o  1209.82   14.576  3968.70   95.287  3946.88  134.318  3990.81  135.199  1206.48   20.603  1213.17   20.624 -6.691162 29.15151 
1 1 1   -7   10   28 o  1208.37   14.534  3956.82   94.849  3879.34  131.508  4040.82  136.931  1196.09   20.347  1220.64   20.760 -24.54980 29.06839 
1 1 1   -7   10   29 o  750.929   9.3487  1524.53   37.911  1489.09   52.491  1563.16   54.812  741.827   13.095  760.031   13.346 -18.20337 18.69740 
1 1 1   -7   10   30 o  367.580   5.6596  365.351   11.239  360.566   16.000  370.011   15.791  365.201   8.1077  369.959   7.8988 -4.758209 11.31929 
1 1 1   -7   10   31 o  825.892   10.208  1843.70   45.501  1787.03   62.492  1907.65   66.382  812.431   14.235  839.353   14.636 -26.92188 20.41650 
1 1 1   -7   10   32 o  600.136   7.7941  973.834   25.266  951.841   35.133  997.392   36.362  593.127   10.962  607.144   11.083 -14.01715 15.58828 
1 1 1   -7   10   33 o  250.962   5.6610  170.079   7.6563  173.176   11.293  167.444   10.416  253.067   8.2582  248.856   7.7454 4.211136 11.32207 
1 1 1   -7   10   34 o  622.479   8.0913  1048.34   27.209  1057.20   39.010  1039.95   37.969  625.031   11.550  619.927   11.335 5.103333 16.18261 
1 1 1   -7   10   35 o  705.904   8.9596  1346.80   34.136  1300.74   46.907  1398.66   49.772  693.114   12.524  718.693   12.816 -25.57880 17.91923 
1 1 1   -7   10   36 o  1105.69   13.422  3319.47   80.193  3309.71  113.314  3329.26  113.507  1104.06   18.993  1107.33   18.970 -3.262695 26.84389 
1 1 1   -7   10   38 o  593.860   7.8328  954.755   25.133  937.172   35.241  972.955   35.853  588.296   11.086  599.424   11.069 -11.12793 15.66567 
1 1 1   -7   10   39 o  391.089   6.1664  413.901   13.030  408.574   18.458  419.194   18.397  388.576   8.7907  393.603   8.6499 -5.026917 12.33280 
1 1 1   -7   10   40 o  126.440   8.8510   43.173   6.0145   45.132   9.0672   41.633   8.0372  128.970   13.011  123.909   12.004 5.060730 17.70206 
1 1 1   -7   10   41 o  592.332   7.8221  950.795   25.032  931.092   35.021  971.377   35.793  586.060   11.059  598.604   11.066 -12.54297 15.64411 
1 1 1   -7   10   42 o  376.549   6.0875  384.050   12.383  374.149   17.536  393.898   17.488  371.694   8.7307  381.403   8.4856 -9.708405 12.17496 
1 1 1   -7   10   43 o  274.582   7.0518  209.756   9.8993  187.162   16.485  222.499   12.380  262.536   11.620  286.628   7.9931 -24.09186 14.10366 
1 1 1   -7   10   44 o  244.708   7.9370  161.250   10.407  173.243   15.988  152.432   13.709  252.475   11.719  236.941   10.707 15.53416 15.87390 
1 1 1   -7   10   45 o  291.501   7.9411  231.360   12.484  224.054   18.048  238.063   17.287  287.015   11.637  295.986   10.808 -8.971436 15.88213 
1 1 1   -7   10   46 o   48.241   13.199   1.0348   5.4044   9.7366   8.2511  -5.5035   7.1522   61.353   20.841   35.130   16.202 26.22319 26.39757 
1 1 1   -7   10   47 o  210.592   6.4102  120.343   7.2809  122.216   10.663  118.706   9.9662  212.096   9.3034  209.087   8.8209 3.009537 12.82035 
1 1 1   -7   10   48 o  233.103   7.5936  146.152   9.0647  142.270   11.096  153.941   15.717  228.801   8.9747  237.405   12.252 -8.603775 15.18730 
1 1 1   -7   10   49 o  217.893   9.2219  131.165   10.749  121.779   16.019  138.851   14.498  210.483   14.084  225.302   11.908 -14.81924 18.44377 
1 1 1   -7   10   50 o  221.564   8.9529  134.345   10.624  137.275   16.209  132.140   14.066  223.466   13.424  219.663   11.850 3.803574 17.90575 
1 1 1   -7   10   51 o  183.219   9.8825   92.287   9.7619   97.027   14.409   88.266   13.272  187.486   14.223  178.951   13.725 8.534500 19.76499 
1 1 1   -7   10   52 o  173.653   6.8455   82.984   6.3682   77.586   9.4571   87.463   8.6139  168.293   10.399  179.012   8.9049 -10.71912 13.69091 
1 1 1   -7   10   53 o  136.044   8.0742   50.617   5.9167   55.047   8.8022   46.966   7.9914  141.419   11.518  130.669   11.318 10.75078 16.14834 
1 1 1   -7   10   54 o  157.467   7.3174   69.102   6.1329   58.498   8.9604   78.449   8.4121  145.661   11.384  169.272   9.1967 -23.61049 14.63473 
1 1 1   -7   10   55 o  310.612   5.8531  264.073   9.8128  261.261   14.179  266.658   13.594  308.922   8.4939  312.301   8.0555 -3.379761 11.70630 
1 1 1   -7   10   56 o  182.568   6.6088   92.231   6.4705   85.209   9.5124   98.279   8.8273  175.825   10.012  189.310   8.6291 -13.48491 13.21753 
1 1 1   -7   10   57 o  241.446   5.9799  160.501   7.7747  152.255   11.282  167.959   10.729  235.332   8.8720  247.561   8.0202 -12.22937 11.95980 
1 1 1   -7   10   58 o   48.086   13.403   2.7681   5.4382   9.3614   8.1873  -2.4375   7.2749   58.269   20.702   37.903   17.030 20.36641 26.80670 
1 1 1   -7   10   59 o   95.221   11.908   27.911   5.7557   20.092   8.6418   34.145   7.7162   80.518   19.961  109.924   12.990 -29.40565 23.81615 
1 1 1   -7   10   60 o   60.151   13.989   10.756   5.5492   5.7811   8.3617   14.672   7.4182   51.490   20.337   68.812   19.214 -17.32236 27.97815 
1 1 1   -7   10   61 f  184.824   6.8619   92.081   6.7470  116.424   10.636   75.688   8.7280  204.692   9.6158  164.957   9.7917 39.73480 13.72375 
1 1 1   -7   10   62 o  133.163   11.044   51.942   7.0869   52.027   13.365   51.909   8.3588  130.787   18.912  135.540   11.413 -4.753769 22.08858 
1 1 1   -7   10   63 o   61.031   15.903   9.4677   6.5810   18.628   11.896   5.4275   7.9001   73.062   25.023   48.999   19.632 24.06289 31.80507 
1 1 1   -7   10   64 o   96.150   14.554   31.163   7.4226   37.479   9.8209   22.748   11.336  111.685   16.273   80.615   24.135 31.06974 29.10835 
1 1 1   -7   10   65 o   38.412   12.596  -5.5543   6.2838  -1.0774   9.2171  -9.4421   8.5894   42.808   19.206   34.016   16.302 8.791878 25.19178 
1 1 1   -7   10   66 o   48.029   14.084   5.3810   6.0211   9.1989   9.0900   2.3963   8.0372   53.415   21.170   42.644   18.581 10.77093 28.16789 
1 1 1   -7   10   67 o   60.587   14.675   12.878   6.3576   5.2965   10.031   17.967   8.2190   49.647   21.183   71.527   20.314 -21.88015 29.34945 
1 1 1   -7   11    1 o  160.565   5.7949   69.477   4.9165   68.604   6.3036   70.833   7.8558  159.294   7.3231  161.836   8.9831 -2.541122 11.58984 
1 1 1   -7   11    2 o  917.463   22.376  2288.29  110.935   0.0000   0.0000  2288.29  110.935  ?   ?   917.463   22.376      ?      ? 
1 1 1   -7   11    3 o  611.187   10.954  1012.23   36.178  1017.34   51.402  1007.21   50.927  612.713   15.525  609.661   15.459 3.051941 21.90886 
1 1 1   -7   11    4 o  512.934   9.5127  712.232   26.361  701.802   36.822  723.198   37.756  509.089   13.385  516.779   13.521 -7.690430 19.02545 
1 1 1   -7   11    5 o  405.776   8.0300  444.797   17.586  461.036   25.655  430.405   24.152  412.740   11.503  398.811   11.207 13.92975 16.06000 
1 1 1   -7   11    6 o  493.332   9.2677  658.954   24.705  663.739   35.142  654.279   34.737  495.100   13.135  491.564   13.077 3.535950 18.53537 
1 1 1   -7   11    7 o  606.978   10.949  998.319   35.906  987.612   50.281  1009.46   51.292  603.667   15.414  610.290   15.553 -6.623291 21.89755 
1 1 1   -7   11    8 o  543.313   9.9950  799.657   29.344  797.973   41.437  801.351   41.560  542.740   14.129  543.887   14.141 -1.146545 19.98995 
1 1 1   -7   11    9 o  594.476   15.318  957.883   49.206   0.0000   0.0000  957.883   49.206  ?   ?   594.476   15.318      ?      ? 
1 1 1   -7   11   11 o  756.181   18.793  1552.93   76.792   0.0000   0.0000  1552.93   76.792  ?   ?   756.181   18.793      ?      ? 
1 1 1   -7   11   12 f  745.892   18.546  1510.81   74.752   0.0000   0.0000  1510.81   74.752  ?   ?   745.892   18.546      ?      ? 
1 1 1   -7   11   13 o  331.722   5.1896  297.530   9.3010  297.944   13.271  297.131   13.039  331.947   7.3988  331.497   7.2791 0.4492188 10.37916 
1 1 1   -7   11   14 f  588.797   7.5856  937.995   24.133  926.154   33.863  950.215   34.400  585.023   10.712  592.571   10.743 -7.547852 15.17112 
1 1 1   -7   11   15 o  773.677   9.5820  1620.89   40.052  1635.44   57.271  1606.97   56.035  777.062   13.639  770.292   13.462 6.770020 19.16394 
1 1 1   -7   11   16 o  572.137   7.4034  885.444   22.885  871.872   32.028  899.601   32.712  567.661   10.441  576.612   10.499 -8.951477 14.80674 
1 1 1   -7   11   17 o  794.637   9.8218  1709.42   42.161  1682.09   58.742  1738.47   60.549  788.101   13.794  801.173   13.986 -13.07263 19.64357 
1 1 1   -7   11   18 o  378.354   5.5770  387.068   11.401  382.736   16.146  391.377   16.102  376.241   7.9417  380.468   7.8319 -4.226990 11.15390 
1 1 1   -7   11   19 o  281.198   7.0197  213.752   10.666   0.0000   0.0000  213.752   10.666  ?   ?   281.198   7.0197      ?      ? 
1 1 1   -7   11   21 o  357.880   5.4831  346.145   10.599  332.690   14.862  360.076   15.122  350.801   7.8400  364.958   7.6677 -14.15756 10.96629 
1 1 1   -7   11   22 o  394.425   5.7201  420.566   12.188  420.811   17.448  420.333   17.032  394.534   8.1842  394.316   7.9935 0.2185059 11.44012 
1 1 1   -7   11   23 o  286.894   5.0823  222.521   7.8774  218.572   11.179  226.416   11.102  284.364   7.2748  289.425   7.0990 -5.060455 10.16454 
1 1 1   -7   11   24 o  755.260   9.4044  1543.08   38.378  1525.94   53.887  1560.73   54.672  751.005   13.279  759.514   13.321 -8.509644 18.80887 
1 1 1   -7   11   25 o  811.661   10.025  1782.76   43.967  1790.76   62.594  1774.97   61.772  813.453   14.240  809.870   14.115 3.582764 20.05040 
1 1 1   -7   11   26 o  1117.81   13.495  3386.57   81.515  3384.22  115.290  3388.92  115.269  1117.42   19.094  1118.20   19.077 -0.7773438 26.99062 
1 1 1   -7   11   27 o  581.681   7.5599  915.072   23.762  907.855   33.532  922.351   33.677  579.376   10.710  583.986   10.672 -4.609497 15.11973 
1 1 1   -7   11   28 o  1010.62   12.285  2766.95   67.090  2764.20   94.954  2769.68   94.804  1010.12   17.396  1011.13   17.351 -1.007996 24.57020 
1 1 1   -7   11   29 o  128.573   7.1031   44.688   4.9006   44.862   7.3858   44.551   6.5501  128.790   10.613  128.356   9.4437 0.4333191 14.20618 
1 1 1   -7   11   30 o  761.872   9.5241  1565.18   39.098  1495.06   52.931  1649.38   58.004  743.197   13.180  780.547   13.752 -37.34998 19.04821 
1 1 1   -7   11   31 o  208.817   5.7109  117.810   6.4293  119.248   9.4421  116.566   8.7789  209.999   8.3208  207.634   7.8244 2.364914 11.42176 
1 1 1   -7   11   32 o  816.577   10.139  1806.01   44.735  1807.38   63.534  1804.67   63.000  816.875   14.393  816.278   14.283 0.5972900 20.27721 
1 1 1   -7   11   33 o  753.424   9.4721  1535.38   38.535  1495.46   53.276  1579.19   55.807  743.180   13.266  763.668   13.524 -20.48883 18.94416 
1 1 1   -7   11   34 o  344.999   5.9759  321.096   11.123  335.786   16.302  308.300   15.215  352.359   8.5618  337.638   8.3391 14.72061 11.95178 
1 1 1   -7   11   35 o  516.226   7.1443  720.883   19.927  708.966   27.965  733.175   28.403  511.893   10.110  520.560   10.097 -8.667603 14.28864 
1 1 1   -7   11   36 o  126.418   9.4285   43.571   6.3973   38.440   9.1608   48.454   8.9376  119.084   14.236  133.752   12.366 -14.66741 18.85703 
1 1 1   -7   11   37 o  370.591   6.2091  371.598   12.429  357.961   17.506  385.460   17.650  363.727   8.9067  377.455   8.6534 -13.72791 12.41816 
1 1 1   -7   11   38 o  590.983   7.8483  943.821   25.031  905.624   34.345  987.095   36.556  578.272   10.991  603.695   11.206 -25.42291 15.69670 
1 1 1   -7   11   39 o  1003.60   12.302  2739.12   66.670  2672.67   92.198  2811.95   96.522  990.931   17.218  1016.27   17.576 -25.33539 24.60487 
1 1 1   -7   11   40 o  428.728   6.4265  497.802   14.883  494.865   21.302  500.602   20.803  427.478   9.2217  429.977   8.9534 -2.499207 12.85310 
1 1 1   -7   11   41 o  230.688   6.2697  143.176   7.7833  154.480   11.674  134.128   10.443  238.821   9.0457  222.555   8.6838 16.26520 12.53932 
1 1 1   -7   11   42 o  362.342   7.3140  362.362   13.666  334.234   22.568  378.651   17.173  350.815   11.905  373.869   8.5005 -23.05414 14.62809 
1 1 1   -7   11   43 o  695.390   12.574  1322.96   47.209  1347.97   68.415  1300.22   65.227  701.521   18.048  689.258   17.513 12.26324 25.14802 
1 1 1   -7   11   44 o  325.100   8.0987  287.973   14.195  274.324   20.445  300.676   19.724  317.564   11.914  332.637   10.973 -15.07333 16.19744 
1 1 1   -7   11   45 o   60.335   13.369   6.9825   5.5007   18.279   8.6526  -0.6795   7.1261   79.800   20.082   40.870   17.652 38.93004 26.73706 
1 1 1   -7   11   46 o  253.884   5.9595  172.799   8.1157  192.830   12.434  157.933   10.712  266.516   8.6340  241.252   8.2170 25.26460 11.91910 
1 1 1   -7   11   47 o  488.642   8.6214  645.752   21.319  634.754   25.849  669.144   37.697  483.051   9.9030  494.234   14.115 -11.18350 17.24272 
1 1 1   -7   11   48 o  237.278   7.6735  152.912   9.5675  150.617   12.145  156.667   15.532  235.204   9.5559  239.353   12.009 -4.149094 15.34695 
1 1 1   -7   11   49 o  371.392   8.9549  377.923   17.939  385.135   26.269  371.622   24.556  374.568   12.979  368.216   12.342 6.352356 17.90982 
1 1 1   -7   11   50 o  215.762   9.3089  127.875   10.841  131.194   15.781  124.910   14.918  218.348   13.376  213.176   12.951 5.172211 18.61778 
1 1 1   -7   11   51 o  185.465   6.7102   93.232   6.6544   98.826   10.296   89.219   8.7207  190.089   10.023  180.841   8.9241 9.247559 13.42045 
1 1 1   -7   11   52 o  280.401   5.8757  214.598   8.8836  212.151   12.955  216.769   12.205  278.798   8.5991  282.005   8.0094 -3.207001 11.75138 
1 1 1   -7   11   53 o  210.901   6.2493  120.295   7.0650  131.645   10.852  111.945   9.3075  219.354   9.1557  202.449   8.5080 16.90472 12.49852 
1 1 1   -7   11   54 o  264.070   5.8486  189.582   8.2979  200.724   12.552  180.932   11.060  270.802   8.5774  257.338   7.9532 13.46426 11.69725 
1 1 1   -7   11   55 o  203.554   6.2797  113.984   6.8639  110.287   10.198  117.046   9.2809  200.337   9.4203  206.771   8.3064 -6.433548 12.55935 
1 1 1   -7   11   56 o  244.516   5.9731  161.764   7.8252  182.067   12.066  147.027   10.280  257.468   8.6728  231.563   8.2156 25.90512 11.94627 
1 1 1   -7   11   57 o  110.829   12.785   34.447   7.6566   0.0000   0.0000   34.447   7.6566  ?   ?   110.829   12.785      ?      ? 
1 1 1   -7   11   58 o  241.734   6.0965  160.942   7.9203  161.165   11.831  160.761   10.662  241.645   9.0604  241.824   8.1595 -0.1792297 12.19292 
1 1 1   -7   11   59 o   83.696   13.367   21.261   5.8472   23.795   9.0504   19.446   7.6607   87.663   19.598   79.729   18.184 7.934319 26.73457 
1 1 1   -7   11   60 o  101.619   10.698   29.356   5.8294   33.788   8.9297   26.066   7.6953  108.136   15.282   95.102   14.974 13.03415 21.39543 
1 1 1   -7   11   61 o   38.483   12.323  -3.0565   5.6100  -6.8257   8.4186  -0.0458   7.5240   36.080   16.949   40.886   17.892 -4.806049 24.64557 
1 1 1   -7   11   62 o  207.988   6.7735  121.209   7.5704  116.881   11.184  124.869   10.285  204.140   10.139  211.836   8.9848 -7.696640 13.54690 
1 1 1   -7   11   63 o  198.179   8.6169  114.954   8.4003  108.198   15.109  117.976   10.106  191.175   14.626  205.183   9.1149 -14.00844 17.23386 
1 1 1   -7   11   64 o  141.278   9.2814   57.285   7.0529   62.123   10.615   53.462   9.4368  146.367   13.422  136.188   12.823 10.17928 18.56278 
1 1 1   -7   11   65 o  174.669   9.0134   89.454   8.3560   85.628   10.768   95.248   13.249  171.300   11.633  178.038   13.771 -6.737167 18.02683 
1 1 1   -7   11   66 o   72.195   15.229   18.269   6.3644   21.779   9.7175   15.632   8.4220   77.728   22.093   66.661   20.966 11.06773 30.45801 
1 1 1   -7   11   67 o   54.331   14.563   7.8440   6.2723   18.321   9.8875   0.7885   8.1138   68.160   22.816   40.502   18.106 27.65754 29.12698 
1 1 1   -7   12    1 o  841.054   14.617  1922.57   66.429  1930.18   94.326  1915.09   93.568  842.694   20.714  839.414   20.628 3.279724 29.23373 
1 1 1   -7   12    2 o  302.787   6.8629  247.809   11.223  240.766   15.581  255.405   16.181  298.321   9.6654  307.254   9.7456 -8.932434 13.72573 
1 1 1   -7   12    3 o  252.144   9.2765  171.982   12.639  171.982   12.639   0.0000   0.0000  252.144   9.2765  ?   ?       ?      ? 
1 1 1   -7   12    4 o  505.755   8.2557  681.572   20.955  721.622   37.861  663.886   25.160  516.124   13.575  495.386   9.3989 20.73837 16.51148 
1 1 1   -7   12    5 o  432.344   11.982  506.081   27.994  506.081   27.994   0.0000   0.0000  432.344   11.982  ?   ?       ?      ? 
1 1 1   -7   12    6 o  728.382   11.158  1447.92   41.733  1408.56   70.596  1469.06   51.743  720.297   18.138  736.466   13.002 -16.16925 22.31639 
1 1 1   -7   12    7 o  495.637   9.5211  664.849   25.486  645.495   35.345  685.811   36.784  488.137   13.400  503.137   13.530 -14.99979 19.04217 
1 1 1   -7   12    8 o  888.335   15.465  2145.83   74.200  2186.26  106.962  2108.33  103.018  896.335   22.084  880.336   21.656 15.99933 30.93002 
1 1 1   -7   12    9 o  349.448   7.8025  330.394   14.726  334.009   21.206  327.027   20.466  351.286   11.171  347.610   10.896 3.675751 15.60508 
1 1 1   -7   12   10 o  287.844   5.0612  223.310   7.8590  211.560   10.744  236.831   11.525  279.728   7.1082  295.961   7.2066 -16.23260 10.12234 
1 1 1   -7   12   12 o  269.563   5.0157  196.473   7.3023  195.947   10.488  196.968   10.173  269.210   7.2098  269.916   6.9747 -0.7063599 10.03137 
1 1 1   -7   12   13 o  335.652   7.4156  304.613   13.450   0.0000   0.0000  304.613   13.450  ?   ?   335.652   7.4156      ?      ? 
1 1 1   -7   12   14 o  843.927   10.391  1929.38   47.382  1941.58   67.544  1917.56   66.486  846.542   14.766  841.312   14.625 5.230713 20.78226 
1 1 1   -7   12   16 o  667.235   8.4529  1204.70   30.475  1208.22   43.399  1201.27   42.802  668.192   12.020  666.278   11.888 1.913879 16.90588 
1 1 1   -7   12   17 o  868.713   10.662  2043.46   50.046  2021.27   70.141  2066.47   71.426  863.917   15.025  873.509   15.132 -9.592590 21.32451 
1 1 1   -7   12   18 f  709.172   8.9007  1360.96   34.108  1351.95   48.048  1370.11   48.426  706.808   12.580  711.537   12.595 -4.728882 17.80135 
1 1 1   -7   12   19 o  137.441   6.1730   51.699   4.5281   44.115   6.5741   58.545   6.2460  127.724   9.5252  147.158   7.8547 -19.43408 12.34602 
1 1 1   -7   12   20 o  188.419   5.4159   96.109   5.4988   93.931   8.0318   98.030   7.5440  186.402   7.9740  190.435   7.3310 -4.033020 10.83180 
1 1 1   -7   12   21 o  537.571   7.1329  781.460   20.719  776.771   29.353  786.116   29.251  535.961   10.135  539.180   10.039 -3.218689 14.26579 
1 1 1   -7   12   22 o  601.446   7.7906  978.283   25.319  972.052   35.805  984.515   35.808  599.528   11.052  603.363   10.983 -3.834595 15.58127 
1 1 1   -7   12   23 f  829.302   10.236  1861.19   45.868  1849.48   64.632  1873.07   65.105  826.675   14.469  831.929   14.482 -5.253845 20.47146 
1 1 1   -7   12   24 o  429.710   6.1261  499.164   14.219  500.948   20.414  497.484   19.817  430.452   8.7764  428.969   8.5494 1.483368 12.25220 
1 1 1   -7   12   25 o  237.475   7.2242  152.437   9.2703   0.0000   0.0000  152.437   9.2703  ?   ?   237.475   7.2242      ?      ? 
1 1 1   -7   12   26 o  352.797   5.6387  336.386   10.746  339.580   15.435  333.382   14.969  354.419   8.0594  351.174   7.8883 3.245056 11.27736 
1 1 1   -7   12   27 o  922.025   11.296  2299.80   56.240  2243.43   77.723  2361.75   81.481  910.202   15.802  933.849   16.147 -23.64648 22.59293 
1 1 1   -7   12   28 o  436.190   6.3059  514.230   14.860  501.741   20.767  527.334   21.272  430.766   8.9217  441.616   8.9142 -10.85001 12.61188 
1 1 1   -7   12   29 f  771.890   9.6413  1612.74   40.208  1592.53   56.284  1633.81   57.461  766.957   13.581  776.822   13.689 -9.864258 19.28264 
1 1 1   -7   12   30 o  548.114   7.3331  812.380   21.714  795.402   30.293  830.321   31.140  542.229   10.339  553.999   10.402 -11.77002 14.66617 
1 1 1   -7   12   31 o  543.901   7.3286  800.230   21.538  790.089   30.313  810.569   30.609  540.420   10.380  547.381   10.348 -6.961426 14.65724 
1 1 1   -7   12   32 o  768.372   9.6528  1598.12   40.066  1569.24   55.829  1628.79   57.535  761.227   13.572  775.517   13.729 -14.29016 19.30556 
1 1 1   -7   12   33 o  617.745   8.1217  1032.57   27.106  1012.05   37.931  1053.99   38.750  611.474   11.480  624.015   11.492 -12.54095 16.24335 
1 1 1   -7   12   34 o  484.812   6.8979  634.359   18.048  604.609   24.784  667.947   26.334  472.743   9.7020  496.881   9.8078 -24.13818 13.79573 
1 1 1   -7   12   35 o  477.546   6.8063  616.767   17.559  599.624   24.511  634.839   25.166  470.733   9.6360  484.360   9.6152 -13.62701 13.61266 
1 1 1   -7   12   36 o  326.121   5.9612  287.131   10.489  298.013   15.356  277.612   14.362  331.895   8.5622  320.346   8.2966 11.54907 11.92244 
1 1 1   -7   12   37 o  244.669   6.3298  163.102   8.2904  138.000   11.759  187.912   11.690  225.792   9.6377  263.546   8.2087 -37.75395 12.65968 
1 1 1   -7   12   38 o  320.576   5.9827  278.347   10.356  267.550   14.700  288.985   14.592  314.387   8.6531  326.765   8.2640 -12.37827 11.96535 
1 1 1   -7   12   39 o  573.038   7.6638  889.498   23.724  867.136   33.057  913.246   34.066  565.620   10.816  580.456   10.861 -14.83588 15.32769 
1 1 1   -7   12   40 o  581.875   7.7676  918.147   24.422  910.882   34.595  925.365   34.482  579.568   11.046  584.182   10.923 -4.613159 15.53510 
1 1 1   -7   12   41 o  637.470   11.682  1107.95   40.205  1128.15   58.308  1089.64   55.512  642.905   16.784  632.034   16.254 10.87042 23.36439 
1 1 1   -7   12   42 o  445.544   9.1185  540.041   21.921  540.991   31.891  539.189   30.182  445.832   13.237  445.255   12.544 0.5768738 18.23700 
1 1 1   -7   12   43 o  373.185   7.2668  374.691   14.138  365.342   17.691  391.216   23.520  367.031   8.9198  379.339   11.474 -12.30753 14.53355 
1 1 1   -7   12   44 o  302.021   5.8822  247.788   9.5788  240.939   13.900  253.982   13.219  297.996   8.6319  306.046   7.9932 -8.050873 11.76440 
1 1 1   -7   12   45 o  173.220   7.1803   79.507   6.6322   98.930   10.343   65.945   8.6430  190.737   10.035  155.702   10.273 35.03500 14.36059 
1 1 1   -7   12   46 o  303.067   7.3202  252.855   11.409  259.802   14.222  240.315   19.108  309.330   8.5083  296.804   11.914 12.52634 14.64038 
1 1 1   -7   12   47 o   49.354   15.088  -1.0675   7.1003  -2.9231   8.8589   2.2658   11.873   42.812   19.044   55.897   23.408 -13.08457 30.17604 
1 1 1   -7   12   48 f  328.277   8.6884  293.816   15.347  310.811   23.003  280.180   20.604  336.655   12.645  319.899   11.919 16.75540 17.37690 
1 1 1   -7   12   49 o  129.992   13.044   47.491   9.1034   42.365   13.055   52.342   12.701  122.829   19.669  137.156   17.137 -14.32622 26.08716 
1 1 1   -7   12   50 o  110.581   12.041   31.112   6.6047   42.207   12.727   27.023   7.7266  122.359   19.249   98.804   14.472 23.55461 24.08228 
1 1 1   -7   12   51 o  278.517   5.9773  211.980   8.9614  207.106   13.177  216.174   12.223  275.403   8.8542  281.631   8.0321 -6.227295 11.95455 
1 1 1   -7   12   52 o  227.810   6.2147  142.020   7.6260  138.938   11.169  144.711   10.438  225.378   9.1711  230.242   8.3893 -4.864334 12.42935 
1 1 1   -7   12   53 o  252.157   5.9977  173.726   8.1479  176.084   12.030  171.728   11.075  253.628   8.7780  250.686   8.1754 2.941528 11.99542 
1 1 1   -7   12   54 o  279.115   5.8787  213.745   8.8326  206.211   12.931  220.335   12.094  274.312   8.7234  283.918   7.8828 -9.606293 11.75740 
1 1 1   -7   12   55 o   69.697   13.728   14.022   5.4320   19.569   8.3562   9.9615   7.1486   80.438   19.440   58.955   19.387 21.48351 27.45526 
1 1 1   -7   12   56 o  170.161   7.2967   80.263   6.6718   78.619   9.9117   81.624   9.0216  168.335   10.897  171.987   9.7074 -3.652374 14.59341 
1 1 1   -7   12   57 o  190.769   6.8211   99.921   6.9830  106.716   10.639   94.779   9.2554  196.245   10.033  185.293   9.2437 10.95154 13.64213 
1 1 1   -7   12   58 o   77.980   13.908   18.630   5.8160   20.769   8.9081   17.041   7.6783   81.605   20.288   74.354   19.031 7.251480 27.81669 
1 1 1   -7   12   59 o   86.932   12.717   23.155   5.7833   20.454   8.9645   25.081   7.5691   80.608   20.526   93.257   15.020 -12.64895 25.43451 
1 1 1   -7   12   60 o  108.914   10.379   33.784   6.0400   37.713   9.4298   31.051   7.8653  113.883   15.323  103.946   14.003 9.936966 20.75789 
1 1 1   -7   12   61 o  125.356   9.5385   44.980   6.3998   46.698   9.8105   43.707   8.4439  126.962   14.300  123.750   12.627 3.212166 19.07705 
1 1 1   -7   12   62 o   56.548   14.941   9.5196   6.1390   8.6867   9.2331   10.180   8.2189   55.604   21.542   57.491   20.708 -1.886955 29.88139 
1 1 1   -7   12   63 o  208.835   7.2587  123.914   8.1210  111.005   11.812  135.488   11.184  197.742   11.054  219.928   9.4107 -22.18683 14.51735 
1 1 1   -7   12   64 o   36.764   12.617 -11.9552   7.0816  -9.7275   12.485 -13.0118   8.5985   41.984   19.993   31.544   15.397 10.44021 25.23477 
1 1 1   -7   12   65 o   98.131   14.819   32.944   7.5748   25.584   9.8234   43.739   11.897   83.899   21.553  112.362   20.343 -28.46207 29.63736 
1 1 1   -7   12   66 o   74.639   16.436   21.306   7.3222   20.236   9.9569   22.568   10.805   73.061   22.767   76.217   23.712 -3.156693 32.87262 
1 1 1   -7   13    2 o  607.392   15.860  1000.22   52.053  1000.22   52.053   0.0000   0.0000  607.392   15.860  ?   ?       ?      ? 
1 1 1   -7   13    3 o  272.939   7.6885  200.976   11.322  188.694   15.524  214.932   16.548  264.057   10.880  281.820   10.867 -17.76239 15.37699 
1 1 1   -7   13    4 o  267.181   7.6316  193.338   11.006  189.099   15.837  197.297   15.306  264.334   11.087  270.027   10.490 -5.692780 15.26311 
1 1 1   -7   13    5 o  461.827   9.1849  577.552   22.920  570.045   32.334  585.135   32.495  458.806   13.042  464.847   12.937 -6.041595 18.36983 
1 1 1   -7   13    6 o  207.904   8.0371  116.810   8.9934  118.896   13.379  115.090   12.147  209.581   11.814  206.228   10.900 3.353607 16.07428 
1 1 1   -7   13    7 f  298.035   5.2451  239.762   8.4400  227.888   11.675  252.760   12.215  290.318   7.4421  305.752   7.3933 -15.43427 10.49029 
1 1 1   -7   13    8 o  509.692   6.8478  702.749   18.859  703.744   26.832  701.777   26.513  510.045   9.7353  509.338   9.6331 0.7066650 13.69570 
1 1 1   -7   13    9 o  565.660   7.4091  865.703   22.645  868.972   32.243  862.521   31.812  566.710   10.529  564.610   10.427 2.099854 14.81815 
1 1 1   -7   13   10 o  427.951   6.0805  494.849   14.051  505.976   20.348  484.708   19.425  432.540   8.7058  423.362   8.4910 9.178314 12.16096 
1 1 1   -7   13   11 o  439.901   6.1931  523.114   14.718  511.520   20.573  535.272   21.066  434.910   8.7539  444.892   8.7628 -9.982300 12.38618 
1 1 1   -7   13   12 o  673.564   8.5436  1227.46   31.090  1209.57   43.439  1246.25   44.517  668.539   12.024  678.590   12.140 -10.05164 17.08717 
1 1 1   -7   13   13 f  127.508   6.6464   43.810   4.5624   45.736   6.8056   42.237   6.1488  130.041   9.6849  124.975   9.1050 5.065956 13.29282 
1 1 1   -7   13   14 o  963.075   11.748  2513.15   61.134  2521.29   86.871  2505.17   86.047  964.611   16.666  961.540   16.561 3.071594 23.49503 
1 1 1   -7   13   15 o  627.971   11.361  1066.87   38.550   0.0000   0.0000  1066.87   38.550  ?   ?   627.971   11.361      ?      ? 
1 1 1   -7   13   17 o  398.447   5.9064  429.233   12.715  428.636   18.146  429.808   17.820  398.172   8.4339  398.721   8.2710 -0.5491333 11.81273 
1 1 1   -7   13   19 o  1031.35   12.540  2881.12   69.881  2892.73   99.399  2869.77   98.263  1033.40   17.800  1029.31   17.667 4.089478 25.07911 
1 1 1   -7   13   20 o  842.943   10.446  1923.01   47.581  1926.45   67.627  1919.63   66.957  843.685   14.834  842.201   14.713 1.483337 20.89265 
1 1 1   -7   13   21 o  988.217   12.057  2644.41   64.383  2620.80   90.519  2668.59   91.592  983.755   17.028  992.678   17.075 -8.922363 24.11449 
1 1 1   -7   13   22 o  658.479   8.4011  1172.44   29.886  1152.15   41.714  1193.84   42.838  652.631   11.828  664.327   11.933 -11.69543 16.80218 
1 1 1   -7   13   23 o  169.904   9.0640   78.050   8.3217   78.050   8.3217   0.0000   0.0000  169.904   9.0640  ?   ?       ?      ? 
1 1 1   -7   13   24 o  362.954   5.7455  356.157   11.267  350.115   15.930  362.205   15.939  359.872   8.1919  366.036   8.0583 -6.164368 11.49107 
1 1 1   -7   13   25 o  630.774   8.1324  1075.37   27.700  1098.79   40.084  1053.97   38.322  637.332   11.639  624.216   11.361 13.11572 16.26480 
1 1 1   -7   13   26 o  425.527   6.2463  489.593   14.363  488.206   20.319  490.978   20.305  424.924   8.8493  426.129   8.8179 -1.205750 12.49264 
1 1 1   -7   13   27 o  593.154   7.7663  951.684   24.891  941.134   34.970  962.518   35.437  589.823   10.972  596.485   10.994 -6.661560 15.53250 
1 1 1   -7   13   28 o  303.370   5.6380  248.822   9.2380  238.591   12.983  259.313   13.148  297.051   8.0882  309.688   7.8566 -12.63760 11.27592 
1 1 1   -7   13   29 o  441.651   6.4473  527.285   15.383  511.339   21.505  543.992   22.012  434.815   9.1526  448.487   9.0830 -13.67175 12.89464 
1 1 1   -7   13   30 o   99.893   10.771   26.945   5.8044   29.021   8.4857   25.120   7.9572  103.498   15.173   96.288   15.293 7.210274 21.54297 
1 1 1   -7   13   31 o  322.271   5.9205  280.975   10.305  270.753   14.584  291.169   14.563  316.409   8.5295  328.134   8.2131 -11.72433 11.84096 
1 1 1   -7   13   32 o  549.712   7.4882  816.553   22.227  787.205   30.721  848.789   32.198  539.366   10.541  560.058   10.639 -20.69226 14.97641 
1 1 1   -7   13   33 o  371.070   6.1682  372.537   12.365  364.989   17.568  379.946   17.406  367.339   8.8504  374.802   8.5941 -7.463013 12.33646 
1 1 1   -7   13   34 f  434.978   6.5485  511.598   15.379  520.494   22.290  503.515   21.246  438.574   9.4052  431.382   9.1146 7.192657 13.09709 
1 1 1   -7   13   35 o  540.834   7.4360  791.928   21.730  784.314   30.815  799.460   30.648  538.240   10.595  543.428   10.437 -5.188232 14.87197 
1 1 1   -7   13   36 o  223.404   8.8211  135.066   10.649   0.0000   0.0000  135.066   10.649  ?   ?   223.404   8.8211      ?      ? 
1 1 1   -7   13   37 o  117.353   13.624   37.386   8.6392   0.0000   0.0000   37.386   8.6392  ?   ?   117.353   13.624      ?      ? 
1 1 1   -7   13   38 o  375.479   6.1873  380.846   12.538  356.553   17.297  407.740   18.199  362.885   8.8210  388.073   8.6787 -25.18774 12.37453 
1 1 1   -7   13   39 o  117.716   12.600   38.665   7.1808   37.590   12.832   39.156   8.6646  115.377   21.369  120.056   13.356 -4.679085 25.19948 
1 1 1   -7   13   40 o  273.254   8.1980  203.437   12.042  194.797   17.732  210.833   16.406  267.772   12.255  278.737   10.893 -10.96469 16.39592 
1 1 1   -7   13   41 o  195.476   9.4044  106.995   9.6470   85.586   14.455  124.189   12.954  177.127   15.102  213.826   11.211 -36.69914 18.80883 
1 1 1   -7   13   42 o  172.106   7.2704   79.346   6.7086   89.335   10.305   72.000   8.8378  181.359   10.516  162.853   10.043 18.50647 14.54088 
1 1 1   -7   13   43 o  318.071   5.9882  274.481   10.261  274.116   15.107  274.793   13.980  317.824   8.7964  318.317   8.1275 -0.4938049 11.97636 
1 1 1   -7   13   44 o  500.039   7.0872  679.676   19.145  657.873   26.820  702.327   27.337  491.844   10.091  508.235   9.9540 -16.39059 14.17445 
1 1 1   -7   13   45 o  265.818   7.7462  192.895   10.467  193.754   12.811  191.171   18.151  267.078   8.8770  264.558   12.697 2.520660 15.49234 
1 1 1   -7   13   46 o   59.530   15.403   3.8365   6.8686  -3.3145   8.5402   16.935   11.558   41.513   18.565   77.547   24.582 -36.03427 30.80504 
1 1 1   -7   13   47 o  230.638   9.2055  145.991   11.461  137.568   16.093  154.662   16.328  223.806   13.307  237.469   12.724 -13.66367 18.41100 
1 1 1   -7   13   48 o  403.069   9.1734  446.344   19.974  431.982   28.089  461.036   28.410  396.438   13.112  409.700   12.833 -13.26205 18.34682 
1 1 1   -7   13   49 o  206.112   8.3968  118.920   8.4784  111.036   15.448  122.318   10.142  200.401   14.266  211.822   8.8611 -11.42140 16.79354 
1 1 1   -7   13   50 o  232.788   6.1762  148.811   7.7088  139.065   11.401  157.018   10.463  225.551   9.3546  240.025   8.0668 -14.47409 12.35245 
1 1 1   -7   13   51 o  165.647   7.3961   74.934   6.5813   78.684   9.9511   72.018   8.7742  169.205   10.884  162.088   10.018 7.116516 14.79215 
1 1 1   -7   13   52 o  231.366   6.1680  147.038   7.6661  140.108   11.310  152.928   10.427  226.122   9.2560  236.611   8.1551 -10.48978 12.33609 
1 1 1   -7   13   53 o  160.993   7.3689   71.016   6.3618   74.800   9.7074   68.167   8.4226  164.575   10.916  157.410   9.9020 7.164322 14.73775 
1 1 1   -7   13   54 o   54.467   14.210   7.3936   5.5540   5.6202   8.4011   8.7703   7.4023   52.252   20.463   56.682   19.721 -4.429825 28.41983 
1 1 1   -7   13   55 o  128.134   8.9838   46.609   6.0982   41.866   9.2828   50.210   8.0884  121.798   14.104  134.470   11.131 -12.67150 17.96767 
1 1 1   -7   13   56 o   47.627   13.239   1.3649   5.4747   10.510   8.4360  -5.2894   7.1959   60.678   21.057   34.576   16.053 26.10163 26.47795 
1 1 1   -7   13   57 o  113.428   9.9017   36.481   6.0129   37.746   9.2039   35.539   7.9419  114.781   14.839  112.076   13.114 2.705040 19.80339 
1 1 1   -7   13   58 o  115.788   10.174   39.254   6.1948   33.649   9.4353   43.501   8.2130  107.437   16.252  124.138   12.244 -16.70056 20.34798 
1 1 1   -7   13   59 f  164.813   7.7549   75.655   6.8241   79.059   10.583   73.232   8.9280  167.568   11.688  162.059   10.195 5.509064 15.50972 
1 1 1   -7   13   60 f  214.255   6.7048  127.100   7.6989  134.436   11.786  121.640   10.168  219.282   9.9464  209.228   8.9937 10.05385 13.40960 
1 1 1   -7   13   61 o  155.009   8.2896   68.534   6.8964   69.213   10.382   67.999   9.2256  155.216   12.379  154.802   11.029 0.4140015 16.57918 
1 1 1   -7   13   62 o  197.073   7.3029  109.234   7.7468  115.093   11.578  104.484   10.424  201.582   10.629  192.563   10.018 9.019043 14.60583 
1 1 1   -7   13   63 o   92.892   14.028   27.754   6.8221   29.570   9.9280   26.129   9.3903   95.858   19.821   89.927   19.855 5.931046 28.05537 
1 1 1   -7   13   64 o   39.575   12.986  -2.8191   6.6037  -3.8266   10.124  -2.0729   8.7124   40.129   18.767   39.021   17.954 1.108662 25.97190 
1 1 1   -7   13   65 o  114.591   13.802   41.039   7.7099   50.901   14.232   36.942   9.1725  119.660   22.843  109.522   15.499 10.13759 27.60494 
1 1 1   -7   13   66 o  115.024   13.882   47.487   8.0097   56.033   10.653   36.374   12.148  133.548   14.762   96.500   23.513 37.04837 27.76305 
1 1 1   -7   14    1 o  325.298   8.3075  280.560   14.413  322.973   22.728  252.027   18.642  345.423   12.176  305.174   11.304 40.24924 16.61491 
1 1 1   -7   14    2 o  745.115   13.327  1506.37   53.653  1487.84   75.116  1525.68   76.663  740.450   18.774  749.780   18.922 -9.330139 26.65487 
1 1 1   -7   14    3 o  518.737   14.129  728.829   39.605   0.0000   0.0000  728.829   39.605  ?   ?   518.737   14.129      ?      ? 
1 1 1   -7   14    4 o  395.232   8.3468  422.407   17.826  422.407   17.826   0.0000   0.0000  395.232   8.3468  ?   ?       ?      ? 
1 1 1   -7   14    5 o  236.217   5.2366  150.391   6.6734  159.496   9.7806  142.460   9.1282  242.885   7.4521  229.549   7.3591 13.33592 10.47327 
1 1 1   -7   14    6 f  409.095   5.9722  452.316   13.197  460.167   18.997  444.994   18.346  412.521   8.5220  405.668   8.3693 6.852142 11.94441 
1 1 1   -7   14    7 o  627.830   8.0782  1065.82   27.389  1085.74   39.577  1047.53   37.941  633.442   11.562  622.218   11.284 11.22412 16.15636 
1 1 1   -7   14    9 o  706.457   8.9184  1350.71   34.045  1344.84   48.094  1356.60   48.201  704.918   12.626  707.996   12.599 -3.077942 17.83675 
1 1 1   -7   14   10 o  322.366   5.4632  280.965   9.5157  276.417   13.455  285.515   13.459  319.754   7.7873  324.977   7.6645 -5.222900 10.92642 
1 1 1   -7   14   11 f  280.463   5.3260  212.669   8.0677  203.938   11.363  221.542   11.456  274.656   7.6566  286.271   7.4056 -11.61465 10.65207 
1 1 1   -7   14   13 o  383.910   5.8287  398.433   12.087  400.033   17.348  396.924   16.851  384.655   8.3461  383.164   8.1385 1.491089 11.65736 
1 1 1   -7   14   15 o  304.386   7.5248  250.450   12.377   0.0000   0.0000  250.450   12.377  ?   ?   304.386   7.5248      ?      ? 
1 1 1   -7   14   16 o  1115.93   19.114  3374.67  115.257   0.0000   0.0000  3374.67  115.257  ?   ?   1115.93   19.114      ?      ? 
1 1 1   -7   14   17 o  377.274   8.3148  384.774   16.951  384.774   16.951   0.0000   0.0000  377.274   8.3148  ?   ?       ?      ? 
1 1 1   -7   14   19 o  910.895   11.185  2245.93   55.049  2219.49   77.094  2273.44   78.631  905.432   15.757  916.357   15.880 -10.92468 22.37077 
1 1 1   -7   14   20 o  814.772   10.113  1796.55   44.522  1778.97   62.503  1814.66   63.435  810.730   14.267  818.814   14.337 -8.084106 20.22622 
1 1 1   -7   14   21 o  1045.80   12.704  2962.85   71.785  2932.69  100.618  2994.12  102.447  1040.39   17.897  1051.21   18.035 -10.81812 25.40838 
1 1 1   -7   14   22 o  694.503   12.463  1304.97   46.773   0.0000   0.0000  1304.97   46.773  ?   ?   694.503   12.463      ?      ? 
1 1 1   -7   14   23 o  395.985   6.0493  423.396   12.929  434.596   18.830  413.406   17.784  400.928   8.6916  391.041   8.4161 9.887909 12.09853 
1 1 1   -7   14   24 o  1010.41   12.329  2761.92   67.238  2681.43   92.420  2852.43   98.004  994.829   17.192  1025.98   17.677 -31.15051 24.65884 
1 1 1   -7   14   25 o  369.599   5.9419  369.449   11.863  364.408   16.920  374.324   16.638  367.115   8.5292  372.084   8.2752 -4.969513 11.88385 
1 1 1   -7   14   26 o  269.399   5.6791  196.660   8.2490  186.890   11.864  205.805   11.478  262.899   8.3510  275.899   7.6986 -13.00034 11.35821 
1 1 1   -7   14   27 o  737.655   9.3309  1472.28   37.177  1440.21   51.660  1506.74   53.544  729.338   13.108  745.973   13.283 -16.63464 18.66170 
1 1 1   -7   14   28 f  569.344   7.6553  876.725   23.548  859.481   32.942  894.744   33.674  563.622   10.816  575.066   10.836 -11.44427 15.31067 
1 1 1   -7   14   29 o  752.272   9.5356  1532.10   38.757  1507.57   54.273  1557.62   55.364  746.133   13.461  758.411   13.509 -12.27808 19.07113 
1 1 1   -7   14   30 o  124.434   9.5443   41.888   6.4025   46.052   9.2256   38.018   8.8925  130.403   13.092  118.466   13.891 11.93709 19.08868 
1 1 1   -7   14   31 o  221.909   6.7612  133.924   8.0639  123.067   11.695  143.764   11.134  213.272   10.148  230.546   8.9370 -17.27391 13.52245 
1 1 1   -7   14   32 o  389.371   6.3125  410.165   13.278  409.014   18.982  411.267   18.580  388.831   9.0345  389.912   8.8185 -1.081512 12.62493 
1 1 1   -7   14   33 o  435.750   6.6351  513.862   15.622  507.955   22.108  519.754   22.079  433.244   9.4434  438.256   9.3231 -5.012146 13.27018 
1 1 1   -7   14   34 o  342.817   6.1635  318.217   11.409  308.878   16.291  327.206   15.983  337.865   8.9231  347.768   8.5050 -9.903137 12.32706 
1 1 1   -7   14   35 o  390.115   6.3218  412.012   13.323  402.049   18.853  421.952   18.831  385.394   9.0529  394.836   8.8262 -9.441956 12.64351 
1 1 1   -7   14   36 o  526.648   7.3225  750.538   20.825  723.300   28.841  780.210   30.102  516.681   10.330  536.615   10.381 -19.93408 14.64500 
1 1 1   -7   14   37 o  330.792   6.1220  296.142   10.932  278.305   15.292  314.790   15.635  320.594   8.8270  340.990   8.4854 -20.39597 12.24406 
1 1 1   -7   14   38 o  183.221   9.6230   92.022   9.4183   85.045   14.106   97.635   12.652  176.805   14.764  189.637   12.346 -12.83206 19.24607 
1 1 1   -7   14   39 o  504.633   9.8905  691.996   26.899  708.558   39.692  677.928   36.581  510.097   14.400  499.170   13.562 10.92648 19.78093 
1 1 1   -7   14   40 f  265.175   7.1417  191.538   10.116  195.853   13.417  185.856   15.398  268.743   9.2394  261.607   10.893 7.135956 14.28341 
1 1 1   -7   14   41 o  313.365   6.0242  265.472   10.177  277.136   15.026  255.586   13.833  319.683   8.6982  307.048   8.3371 12.63467 12.04844 
1 1 1   -7   14   42 o  304.402   6.0714  251.587   9.9659  231.342   14.007  272.343   14.182  291.947   8.8788  316.858   8.2832 -24.91052 12.14271 
1 1 1   -7   14   43 o  252.654   6.0897  172.764   8.2781  178.712   12.378  167.950   11.135  256.532   8.9292  248.776   8.2830 7.755646 12.17939 
1 1 1   -7   14   44 o  312.524   7.6056  262.146   12.011  255.405   14.513  276.802   21.397  306.653   8.7581  318.395   12.437 -11.74207 15.21112 
1 1 1   -7   14   45 o  325.822   7.6618  285.178   12.740  276.559   15.528  302.928   22.285  318.882   9.0117  332.762   12.394 -13.88040 15.32351 
1 1 1   -7   14   46 o  328.201   8.9475  295.383   15.868  295.496   22.411  295.270   22.471  328.271   12.634  328.130   12.673 0.1400146 17.89497 
1 1 1   -7   14   47 o  347.815   8.8554  330.384   16.603  306.081   22.576  359.009   24.501  333.959   12.510  361.671   12.537 -27.71161 17.71086 
1 1 1   -7   14   48 o   79.659   15.160   19.704   6.6375   13.070   11.808   22.768   8.0254   70.429   24.879   88.890   17.331 -18.46086 30.32057 
1 1 1   -7   14   49 o   67.435   14.386   13.240   5.7204   11.097   8.5912   14.946   7.6672   63.479   21.267   71.390   19.378 -7.911541 28.77197 
1 1 1   -7   14   50 o   50.331   13.221   4.0077   5.5732  -5.9781   8.7385   10.855   7.2359   38.898   17.929   61.763   19.435 -22.86522 26.44178 
1 1 1   -7   14   51 o   93.511   11.973   26.081   5.7152   20.262   8.7506   30.410   7.5473   82.443   19.875  104.578   13.356 -22.13548 23.94545 
1 1 1   -7   14   52 o   61.516   14.473   10.719   5.6039   10.448   8.5172   10.925   7.4414   61.436   21.167   61.596   19.745 -0.1600876 28.94679 
1 1 1   -7   14   53 o  132.026   8.4272   47.706   5.9425   53.374   9.2979   43.792   7.7266  138.387   12.434  125.664   11.379 12.72372 16.85431 
1 1 1   -7   14   54 o  152.747   7.7999   64.357   6.3968   68.116   9.7091   61.474   8.5032  156.497   11.481  148.998   10.561 7.498932 15.59985 
1 1 1   -7   14   55 o   49.229   13.958   4.0907   5.5610   6.5636   8.8493   2.4768   7.1489   54.139   21.057   44.319   18.327 9.819801 27.91573 
1 1 1   -7   14   56 o  133.178   8.9243   50.373   6.3347   47.127   9.5838   52.892   8.4416  128.816   13.768  137.541   11.358 -8.725845 17.84861 
1 1 1   -7   14   57 o  209.519   6.9758  123.485   7.7960  106.578   11.380  138.434   10.701  195.268   10.785  223.769   8.8502 -28.50102 13.95162 
1 1 1   -7   14   58 o  205.035   6.8678  116.760   7.5094  117.129   11.591  116.492   9.8580  204.855   10.471  205.215   8.8898 -0.3600311 13.73559 
1 1 1   -7   14   59 o  206.609   6.8724  118.451   7.5772  123.458   11.769  114.906   9.9028  209.855   10.378  203.364   9.0114 6.490509 13.74471 
1 1 1   -7   14   60 o  146.401   8.8225   62.038   6.8729   56.331   10.328   66.574   9.2075  139.435   13.708  153.368   11.110 -13.93358 17.64495 
1 1 1   -7   14   61 o   98.291   12.915   30.582   6.6181   27.647   9.9199   32.937   8.8844   91.711   20.529  104.872   15.678 -13.16090 25.83067 
1 1 1   -7   14   62 o  197.353   7.5393  109.952   8.0252  112.465   11.763  107.762   10.977  199.242   10.925  195.463   10.393 3.779282 15.07866 
1 1 1   -7   14   63 o   59.164   15.174   11.835   6.5669   6.6470   9.5243   16.535   9.0666   50.840   21.099   67.487   21.812 -16.64686 30.34711 
1 1 1   -7   14   64 o  110.333   11.400   37.304   6.7489   43.222   10.266   32.801   8.9561  117.943   16.108  102.724   16.135 15.21843 22.79933 
1 1 1   -7   14   65 o   47.152   14.788   3.8648   7.2530  -1.2261   13.887   5.7744   8.5052   46.893   21.945   47.410   19.829 -0.5174141 29.57686 
1 1 1   -7   15    1 o  1029.22   12.603  2870.79   70.084  2835.18   98.128  2907.86  100.129  1022.72   17.756  1035.72   17.891 -13.00012 25.20635 
1 1 1   -7   15    2 o  300.152   7.7169  243.561   12.516   0.0000   0.0000  243.561   12.516  ?   ?   300.152   7.7169      ?      ? 
1 1 1   -7   15    4 o  437.919   6.3329  518.569   14.985  518.298   21.338  518.833   21.048  437.804   9.0195  438.035   8.8922 -0.2308350 12.66583 
1 1 1   -7   15    5 o  337.394   7.9072  307.758   14.416   0.0000   0.0000  307.758   14.416  ?   ?   337.394   7.9072      ?      ? 
1 1 1   -7   15   10 o  324.133   5.5085  284.056   9.6466  279.240   13.673  288.830   13.612  321.394   7.8728  326.871   7.7066 -5.476471 11.01692 
1 1 1   -7   15   12 o  670.818   12.104  1217.29   43.876   0.0000   0.0000  1217.29   43.876  ?   ?   670.818   12.104      ?      ? 
1 1 1   -7   15   13 o  506.503   6.9296  693.674   18.966  688.553   26.806  698.808   26.838  504.630   9.8302  508.376   9.7695 -3.746216 13.85915 
1 1 1   -7   15   15 o  674.329   8.6198  1230.02   31.409  1226.46   44.496  1233.56   44.341  673.354   12.229  675.305   12.151 -1.950867 17.23953 
1 1 1   -7   15   17 o  108.038   13.006   31.582   7.5931   31.582   7.5931   0.0000   0.0000  108.038   13.006  ?   ?       ?      ? 
1 1 1   -7   15   19 o  1117.13   13.533  3382.53   81.687  3397.21  116.232  3368.20  114.826  1119.51   19.214  1114.75   19.062 4.762207 27.06530 
1 1 1   -7   15   20 o  300.117   5.6702  242.567   9.1775  224.565   12.560  263.186   13.442  288.215   8.0649  312.018   7.9727 -23.80280 11.34047 
1 1 1   -7   15   21 o  521.266   7.1598  734.857   20.166  730.080   28.617  739.568   28.422  519.580   10.192  522.951   10.058 -3.371887 14.31953 
1 1 1   -7   15   22 o  490.775   6.8693  649.996   18.196  623.748   25.001  679.558   26.533  480.265   9.6335  501.284   9.7951 -21.01840 13.73859 
1 1 1   -7   15   23 o  634.522   8.2665  1088.08   28.324  1055.53   39.171  1123.74   41.005  624.595   11.606  644.448   11.775 -19.85315 16.53309 
1 1 1   -7   15   24 o  402.044   6.2911  437.033   13.664  422.902   19.185  451.579   19.465  395.446   8.9782  408.641   8.8150 -13.19437 12.58219 
1 1 1   -7   15   25 o  339.320   6.0764  311.538   11.135  303.410   15.870  319.418   15.627  334.952   8.7682  343.687   8.4147 -8.735321 12.15272 
1 1 1   -7   15   26 o  642.962   8.4291  1118.51   29.281  1099.22   40.994  1138.60   41.839  637.305   11.904  648.620   11.937 -11.31439 16.85811 
1 1 1   -7   15   27 o  639.500   8.4068  1106.16   29.041  1077.89   40.452  1136.23   41.719  631.076   11.862  647.923   11.916 -16.84735 16.81363 
1 1 1   -7   15   28 o  246.908   6.5767  165.200   8.7534  152.245   12.399  178.073   12.359  237.228   9.6723  256.588   8.9140 -19.35988 13.15345 
1 1 1   -7   15   29 o  419.543   9.1134  476.105   20.661   0.0000   0.0000  476.105   20.661  ?   ?   419.543   9.1134      ?      ? 
1 1 1   -7   15   30 o  598.070   8.0105  967.688   25.881  942.830   36.099  993.978   37.124  590.173   11.319  605.968   11.338 -15.79480 16.02095 
1 1 1   -7   15   31 o  787.810   9.9679  1680.72   42.403  1631.19   58.612  1735.11   61.420  775.669   13.984  799.951   14.209 -24.28204 19.93578 
1 1 1   -7   15   32 o  788.604   14.031  1686.23   59.792   0.0000   0.0000  1686.23   59.792  ?   ?   788.604   14.031      ?      ? 
1 1 1   -7   15   33 o  258.963   6.5061  181.919   9.0800  174.210   13.153  188.939   12.551  253.690   9.5945  264.236   8.7899 -10.54591 13.01213 
1 1 1   -7   15   34 f  338.743   6.1892  310.938   11.317  300.031   16.177  321.393   15.838  332.901   8.9930  344.585   8.5060 -11.68372 12.37845 
1 1 1   -7   15   35 o  129.181   9.8532   47.413   6.5531   33.049   9.6933   59.504   8.8932  110.206   16.277  148.157   11.108 -37.95122 19.70641 
1 1 1   -7   15   36 o  624.170   10.106  1065.60   32.296  1037.61   54.961  1080.35   39.914  617.260   16.478  631.080   11.704 -13.82013 20.21162 
1 1 1   -7   15   37 o  564.018   10.731  865.937   32.696  838.739   45.824  894.144   46.665  554.968   15.280  573.067   15.070 -18.09882 21.46119 
1 1 1   -7   15   38 o  421.611   9.0553  483.135   20.609  453.153   28.791  514.640   29.513  408.151   13.054  435.071   12.553 -26.92035 18.11068 
1 1 1   -7   15   39 o  206.700   6.6881  115.958   7.4566  114.814   10.848  116.982   10.266  205.707   9.7595  207.693   9.1474 -1.985901 13.37617 
1 1 1   -7   15   40 o  166.033   7.6439   75.609   6.7785   69.438   10.134   80.605   9.1189  159.758   11.739  172.307   9.7938 -12.54872 15.28784 
1 1 1   -7   15   41 o  152.779   8.0105   63.016   6.5584   67.608   10.069   59.632   8.6435  157.519   11.829  148.039   10.805 9.479843 16.02099 
1 1 1   -7   15   42 o  179.450   7.0650   87.529   6.7811   87.792   10.360   87.332   8.9693  179.606   10.675  179.295   9.2577 0.3108063 14.12995 
1 1 1   -7   15   43 o  362.350   6.2486  356.275   12.220  364.708   17.811  348.777   16.796  366.359   8.9969  358.340   8.6739 8.019379 12.49727 
1 1 1   -7   15   44 o  413.045   9.3992  467.747   20.978  461.712   29.557  473.874   29.778  410.343   13.330  415.746   13.255 -5.403564 18.79844 
1 1 1   -7   15   45 o  394.213   9.3123  426.543   19.833  437.162   28.404  416.441   27.703  398.996   13.174  389.430   13.165 9.566132 18.62467 
1 1 1   -7   15   46 o   89.595   17.657   23.799   9.3262   32.703   12.895   14.032   13.505  105.296   23.281   73.894   26.553 31.40182 35.31367 
1 1 1   -7   15   47 o  336.570   7.5501  302.981   12.399  326.802   23.602  293.901   14.571  344.601   12.675  328.539   8.2078 16.06247 15.10022 
1 1 1   -7   15   48 o  106.602   10.527   31.983   5.9500   29.395   9.1152   33.904   7.8541  102.458   16.464  110.747   13.124 -8.288887 21.05493 
1 1 1   -7   15   49 o  182.981   7.0298   91.818   6.8688   91.346   10.535   92.168   9.0590  182.369   10.691  183.593   9.1314 -1.223175 14.05954 
1 1 1   -7   15   50 o  102.107   11.604   30.621   6.0031   26.072   9.3986   33.756   7.8020   93.974   19.158  110.240   13.097 -16.26586 23.20705 
1 1 1   -7   15   51 o  150.458   8.2490   64.672   6.4849   50.460   9.6984   76.165   8.7214  134.460   13.348  166.456   9.6961 -31.99660 16.49809 
1 1 1   -7   15   52 o  106.497   10.270   31.017   5.8224   38.882   9.1689   25.702   7.5370  117.503   14.440   95.491   14.607 22.01258 20.53977 
1 1 1   -7   15   53 o   54.918   13.533   6.6479   5.8210  -3.7881   8.9512   14.295   7.6625   41.042   18.622   68.794   19.641 -27.75155 27.06543 
1 1 1   -7   15   54 o  133.337   8.5696   49.745   6.1048   49.667   9.3448   49.803   8.0632  132.897   13.013  133.776   11.154 -0.8787842 17.13913 
1 1 1   -7   15   55 o  149.879   8.4051   64.547   6.5963   54.765   10.158   71.679   8.6742  139.010   13.523  160.749   9.9860 -21.73869 16.81022 
1 1 1   -7   15   56 o  174.314   7.6056   85.339   7.0662   81.926   10.789   87.902   9.3508  170.722   11.695  177.906   9.7268 -7.184128 15.21128 
1 1 1   -7   15   57 o  131.265   9.6129   50.554   6.5804   41.151   10.041   57.633   8.7121  119.161   15.594  143.369   11.246 -24.20830 19.22575 
1 1 1   -7   15   58 o  169.287   8.0713   81.342   7.2015   78.766   11.398   83.053   9.2910  166.183   12.693  172.392   9.9737 -6.209244 16.14254 
1 1 1   -7   15   59 o  212.905   7.1090  128.327   8.0868  114.016   11.873  140.712   11.045  201.019   10.930  224.790   9.0927 -23.77095 14.21795 
1 1 1   -7   15   60 o  124.048   10.239   45.177   6.8035   47.875   10.430   43.178   8.9760  126.678   15.237  121.419   13.681 5.258827 20.47747 
1 1 1   -7   15   62 o  165.465   8.2980   79.237   7.3937   82.094   10.990   76.875   9.9937  167.801   12.120  163.129   11.337 4.672150 16.59594 
1 1 1   -7   15   63 o   45.322   13.954   2.5129   6.4970  -0.7441   9.7382   5.1256   8.7219   42.714   19.397   47.930   20.066 -5.215805 27.90854 
1 1 1   -7   15   64 o  152.481   9.0877   70.519   7.3895   64.689   11.017   75.286   9.9629  145.196   14.042  159.766   11.540 -14.57031 18.17535 
1 1 1   -7   16    1 o  150.161   6.9463   61.147   5.6195   57.847   8.1204   64.179   7.7845  146.256   10.275  154.065   9.3505 -7.809494 13.89264 
1 1 1   -7   16    3 o  613.826   8.0170  1018.84   26.588  1003.29   37.205  1035.07   38.009  609.042   11.305  618.611   11.371 -9.568909 16.03409 
1 1 1   -7   16    6 o  354.307   5.7805  339.225   11.065  330.301   15.487  348.530   15.814  349.548   8.1992  359.065   8.1506 -9.517090 11.56108 
1 1 1   -7   16    7 o  641.673   8.3087  1113.70   28.808  1111.56   40.872  1115.82   40.612  641.056   11.799  642.291   11.701 -1.235046 16.61731 
1 1 1   -7   16    8 o  633.569   8.2123  1085.55   28.111  1092.87   40.160  1078.53   39.362  635.657   11.692  631.481   11.535 4.176025 16.42452 
1 1 1   -7   16    9 f  214.152   5.7198  124.119   6.6111  118.962   9.4390  129.084   9.2626  209.778   8.3268  218.526   7.8441 -8.748505 11.43963 
1 1 1   -7   16   10 o  593.286   7.8140  951.922   25.051  946.938   35.423  956.907   35.432  591.732   11.078  594.841   11.023 -3.109314 15.62809 
1 1 1   -7   16   11 o  620.674   8.0851  1041.80   27.113  1049.15   38.713  1034.72   37.984  622.820   11.503  618.528   11.365 4.291626 16.17010 
1 1 1   -7   16   13 o  616.661   11.431  1028.57   38.090   0.0000   0.0000  1028.57   38.090  ?   ?   616.661   11.431      ?      ? 
1 1 1   -7   16   14 o  606.278   7.9651  993.155   26.078  965.023   36.105  1023.84   37.708  597.316   11.186  615.240   11.342 -17.92419 15.93021 
1 1 1   -7   16   15 o  1039.26   17.895  2926.34  100.493   0.0000   0.0000  2926.34  100.493  ?   ?   1039.26   17.895      ?      ? 
1 1 1   -7   16   16 o  615.711   8.0602  1025.40   26.815  1027.93   38.201  1022.94   37.648  616.456   11.468  614.966   11.329 1.489563 16.12039 
1 1 1   -7   16   17 o  650.950   8.4196  1146.28   29.614  1148.02   42.141  1144.59   41.625  651.432   11.971  650.468   11.843 0.9645996 16.83924 
1 1 1   -7   16   18 o  167.522   9.6306   75.886   8.7179   0.0000   0.0000   75.886   8.7179  ?   ?   167.522   9.6306      ?      ? 
1 1 1   -7   16   19 o  665.524   8.5920  1195.93   30.858  1152.95   42.330  1244.66   45.080  652.802   12.000  678.245   12.300 -25.44330 17.18402 
1 1 1   -7   16   20 f  593.251   11.120  952.095   35.647   0.0000   0.0000  952.095   35.647  ?   ?   593.251   11.120      ?      ? 
1 1 1   -7   16   21 o  405.329   6.3163  444.089   13.831  430.834   19.350  457.934   19.776  399.147   8.9715  411.512   8.8935 -12.36523 12.63256 
1 1 1   -7   16   22 o  418.397   6.4347  473.378   14.545  459.936   20.449  487.142   20.693  412.383   9.1766  424.411   9.0229 -12.02853 12.86942 
1 1 1   -7   16   23 o  632.431   8.3408  1081.05   28.483  1046.21   39.358  1119.35   41.271  621.755   11.715  643.107   11.876 -21.35120 16.68162 
1 1 1   -7   16   24 o  799.653   14.355  1731.90   62.030  1731.90   62.030   0.0000   0.0000  799.653   14.355  ?   ?       ?      ? 
1 1 1   -7   16   25 o  266.617   8.9795  192.252   12.937   0.0000   0.0000  192.252   12.937  ?   ?   266.617   8.9795      ?      ? 
1 1 1   -7   16   26 o  114.934   10.899   35.964   6.7386   33.402   9.7655   38.293   9.3103  110.988   16.283  118.880   14.493 -7.892090 21.79882 
1 1 1   -7   16   27 o  260.688   6.5394  183.868   9.2097  180.016   13.061  187.676   12.988  257.969   9.3698  263.408   9.1248 -5.439301 13.07882 
1 1 1   -7   16   29 o  532.826   7.4573  768.506   21.469  754.719   30.268  782.467   30.458  528.011   10.608  537.642   10.484 -9.630737 14.91457 
1 1 1   -7   16   30 o  558.023   7.6594  842.689   23.090  821.431   32.241  865.073   33.084  550.802   10.832  565.245   10.832 -14.44257 15.31872 
1 1 1   -7   16   31 o  525.202   7.3863  745.721   20.946  716.406   28.959  777.890   30.335  514.395   10.418  536.008   10.473 -21.61322 14.77250 
1 1 1   -7   16   32 o  377.549   6.4752  386.067   13.204  376.840   18.799  395.052   18.551  373.081   9.3250  382.017   8.9865 -8.936340 12.95043 
1 1 1   -7   16   33 o  626.881   8.3478  1065.63   28.277  1055.56   39.864  1075.82   40.117  623.898   11.824  629.865   11.787 -5.966797 16.69552 
1 1 1   -7   16   34 o  188.209   9.3563   92.944   8.4790  103.333   16.623   89.291   9.8578  194.884   15.785  181.535   10.049 13.34918 18.71260 
1 1 1   -7   16   35 o  197.637   9.6690  106.857   10.162  101.914   15.634  110.473   13.373  193.541   14.949  201.733   12.267 -8.191956 19.33799 
1 1 1   -7   16   36 o  203.535   9.4623  112.141   10.052  114.707   16.595  110.653   12.634  205.197   14.967  201.872   11.582 3.325195 18.92458 
1 1 1   -7   16   37 o  148.852   9.2036   59.755   7.3682   53.047   9.9238   67.995   10.999  139.614   13.154  158.089   12.876 -18.47542 18.40713 
1 1 1   -7   16   38 o  275.631   6.2048  206.583   9.2128  196.262   13.346  215.977   12.733  268.990   9.1821  282.272   8.3479 -13.28281 12.40957 
1 1 1   -7   16   39 o  192.679   7.0047  100.269   7.2416  105.446   11.021   96.335   9.6067  196.985   10.353  188.374   9.4377 8.611115 14.00942 
1 1 1   -7   16   40 o  239.007   6.3107  155.163   8.1261  154.508   11.949  155.727   11.084  238.490   9.2719  239.523   8.5635 -1.033600 12.62149 
1 1 1   -7   16   41 o  404.627   6.4454  444.955   14.085  434.055   20.069  455.537   19.774  399.698   9.2917  409.556   8.9350 -9.856934 12.89071 
1 1 1   -7   16   42 f  568.012   15.822  887.838   48.562   0.0000   0.0000  887.838   48.562  ?   ?   568.012   15.822      ?      ? 
1 1 1   -7   16   43 o  428.752   9.6382  503.935   22.307  488.288   30.717  521.396   32.450  421.797   13.477  435.707   13.783 -13.90979 19.27637 
1 1 1   -7   16   44 o  238.785   9.3330  156.217   12.013  172.410   17.433  141.577   16.576  250.633   12.872  226.937   13.518 23.69618 18.66594 
1 1 1   -7   16   45 o  105.818   16.760   33.509   9.3724   38.694   12.895   27.703   13.645  115.333   21.482   96.303   25.732 19.03009 33.51994 
1 1 1   -7   16   46 o  178.825   7.4665   88.215   7.1118   83.162   10.835   92.039   9.4265  174.068   11.519  183.582   9.5024 -9.513596 14.93300 
1 1 1   -7   16   47 o  178.536   7.3391   88.093   6.9601   83.119   10.705   91.736   9.1607  173.870   11.394  183.202   9.2536 -9.331879 14.67825 
1 1 1   -7   16   48 o  194.005   6.9831  104.317   7.2211   94.044   10.798  112.629   9.7127  184.998   10.801  203.012   8.8538 -18.01445 13.96625 
1 1 1   -7   16   49 o  112.719   10.200   35.050   6.1519   38.817   9.5419   32.370   8.0479  117.680   15.005  107.758   13.821 9.921280 20.40050 
1 1 1   -7   16   50 o   64.562   13.960   10.309   5.7009   20.163   9.0408   3.8044   7.3453   81.734   20.505   47.389   18.950 34.34512 27.92036 
1 1 1   -7   16   51 o  167.297   7.3542   76.922   6.5728   79.737   10.159   74.896   8.6200  169.671   11.081  164.923   9.6726 4.748978 14.70850 
1 1 1   -7   16   52 o   52.081   14.024   5.9429   5.7030   1.0248   8.9412   9.3161   7.4048   46.495   19.923   57.667   19.742 -11.17246 28.04778 
1 1 1   -7   16   53 o   67.084   13.727   13.887   5.8667   4.7209   9.1031   20.398   7.6725   51.711   20.948   82.458   17.745 -30.74694 27.45387 
1 1 1   -7   16   54 o  208.585   6.8612  121.180   7.6463  115.471   11.550  125.635   10.202  203.754   10.490  213.415   8.8467 -9.661087 13.72234 
1 1 1   -7   16   55 o   67.689   14.006   11.925   6.0365   24.468   9.5260   3.5088   7.8032   88.458   20.352   46.919   19.247 41.53905 28.01180 
1 1 1   -7   16   56 o  179.700   7.4278   90.304   7.1309   88.788   10.873   91.447   9.4458  177.918   11.310  181.481   9.6321 -3.562836 14.85564 
1 1 1   -7   16   57 o  235.033   6.8680  155.032   8.6202  146.928   13.016  161.365   11.505  228.887   10.523  241.180   8.8282 -12.29378 13.73599 
1 1 1   -7   16   58 o  236.036   6.8063  156.041   8.5956  152.411   13.005  158.857   11.454  233.006   10.329  239.067   8.8664 -6.060730 13.61262 
1 1 1   -7   16   59 o  248.219   6.7843  172.474   9.0293  180.413   13.764  166.476   11.963  252.695   10.080  243.742   9.0831 8.953018 13.56851 
1 1 1   -7   16   60 o  158.505   8.8439   72.290   7.5418   71.547   11.150   72.917   10.239  157.274   13.120  159.736   11.863 -2.462677 17.68787 
1 1 1   -7   16   61 o   74.259   15.695   19.151   6.7308   20.196   10.328   18.378   8.8743   75.318   23.141   73.200   21.209 2.117859 31.38998 
1 1 1   -7   16   62 f  106.830   11.894   36.098   6.8232   38.581   10.345   34.187   9.0775  109.391   17.501  104.270   16.111 5.121094 23.78779 
1 1 1   -7   16   63 o   42.255   13.565  -2.5422   6.8426   5.7630   10.420  -8.8384   9.0729   50.069   21.482   34.440   16.570 15.62898 27.13071 
1 1 1   -7   17    1 o  910.026   11.230  2241.21   55.210  2207.96   76.979  2276.43   79.226  903.090   15.774  916.961   15.989 -13.87152 22.46084 
1 1 1   -7   17    3 o  180.557   6.4735   87.941   6.2839   76.235   8.6676  100.910   9.1234  167.914   9.5526  193.199   8.7390 -25.28436 12.94693 
1 1 1   -7   17    7 o  793.673   9.9408  1704.76   42.633  1695.99   60.145  1713.62   60.441  791.621   14.060  795.724   14.057 -4.103027 19.88161 
1 1 1   -7   17    9 o  194.902   8.5818  102.699   9.0382   0.0000   0.0000  102.699   9.0382  ?   ?   194.902   8.5818      ?      ? 
1 1 1   -7   17   11 f  1265.80   15.272  4343.29  104.395  4254.33  144.607  4440.12  150.865  1252.33   21.369  1279.27   21.824 -26.94360 30.54393 
1 1 1   -7   17   13 o  526.677   7.2637  750.050   20.671  736.960   29.052  763.470   29.416  522.022   10.299  531.331   10.245 -9.308838 14.52736 
1 1 1   -7   17   14 o  858.746   10.674  1996.52   49.532  1997.67   70.133  1995.37   69.965  858.992   15.109  858.500   15.082 0.4915771 21.34830 
1 1 1   -7   17   17 o  664.097   8.6256  1193.26   30.951  1179.40   43.486  1207.48   44.063  660.191   12.190  668.003   12.207 -7.811279 17.25116 
1 1 1   -7   17   18 o  622.747   8.2388  1047.18   27.687  1008.79   37.964  1090.79   40.466  610.592   11.506  634.902   11.795 -24.30981 16.47756 
1 1 1   -7   17   19 o  142.442   8.7619   54.572   6.6954   64.635   9.8698   45.994   9.1128  154.540   11.819  130.343   12.938 24.19728 17.52390 
1 1 1   -7   17   20 o  539.054   7.4964  785.944   21.833  769.943   30.586  802.567   31.175  533.461   10.610  544.647   10.593 -11.18585 14.99280 
1 1 1   -7   17   21 o  367.908   9.3423  366.089   18.573  366.089   18.573   0.0000   0.0000  367.908   9.3423  ?   ?       ?      ? 
1 1 1   -7   17   22 o  276.133   9.5190  206.239   14.204  206.239   14.204   0.0000   0.0000  276.133   9.5190  ?   ?       ?      ? 
1 1 1   -7   17   23 o  592.653   7.9976  950.170   25.607  929.280   35.779  972.106   36.664  585.979   11.300  599.327   11.321 -13.34875 15.99523 
1 1 1   -7   17   24 o  707.964   9.1347  1355.98   34.926  1319.02   48.402  1396.14   50.447  697.919   12.834  718.009   13.002 -20.09070 18.26943 
1 1 1   -7   17   25 o  529.070   7.4606  757.516   21.327  748.622   30.255  766.301   30.067  525.975   10.645  532.164   10.456 -6.188782 14.92114 
1 1 1   -7   17   26 o  772.183   9.8433  1612.53   41.017  1558.45   56.263  1673.89   59.925  758.421   13.728  785.946   14.110 -27.52588 19.68653 
1 1 1   -7   17   28 o  458.926   6.9597  568.149   17.230  534.286   23.580  606.949   25.240  444.303   9.8214  473.549   9.8636 -29.24649 13.91944 
1 1 1   -7   17   29 o  331.095   6.4795  296.648   11.585  282.138   16.276  311.548   16.493  322.880   9.3286  339.311   8.9953 -16.43079 12.95905 
1 1 1   -7   17   30 o  591.992   8.0359  949.325   25.701  926.962   35.942  972.724   36.765  584.860   11.373  599.125   11.356 -14.26526 16.07173 
1 1 1   -7   17   31 o  462.892   6.9743  580.411   17.444  578.405   24.782  582.380   24.558  462.092   9.9246  463.692   9.8013 -1.600128 13.94859 
1 1 1   -7   17   32 o  602.471   10.057  982.135   30.499  997.297   54.238  975.123   36.882  605.255   16.583  599.687   11.382 5.568054 20.11346 
1 1 1   -7   17   33 o  431.245   9.4945  505.926   22.081  491.441   31.967  519.144   30.537  425.247   13.911  437.243   12.925 -11.99515 18.98890 
1 1 1   -7   17   34 o  260.052   9.1502  180.631   12.592  198.986   20.333  169.212   16.038  270.466   13.912  249.639   11.889 20.82750 18.30031 
1 1 1   -7   17   35 o  352.034   7.5027  333.139   13.805  324.083   17.328  348.874   22.840  345.736   9.2752  358.332   11.796 -12.59671 15.00549 
1 1 1   -7   17   36 o  223.174   6.7440  135.142   8.1140  134.703   11.877  135.527   11.111  222.802   9.8649  223.545   9.1983 -0.7435760 13.48796 
1 1 1   -7   17   37 o  270.394   6.2917  198.580   9.1749  193.563   13.298  203.137   12.675  267.092   9.2135  273.696   8.5704 -6.603912 12.58335 
1 1 1   -7   17   38 o  191.675   7.1753   98.925   7.3946  109.954   11.152   90.272   9.8783  201.106   10.263  182.245   10.031 18.86136 14.35059 
1 1 1   -7   17   39 o  580.727   7.9096  918.536   24.818  914.403   35.310  922.571   34.891  579.398   11.278  582.056   11.093 -2.658447 15.81930 
1 1 1   -7   17   40 o   80.022   14.628   18.617   6.4148   15.560   9.4354   21.245   8.7475   74.072   21.984   85.972   19.302 -11.89940 29.25522 
1 1 1   -7   17   41 o  311.531   9.1083  265.790   15.322  277.027   21.644  254.505   21.692  318.225   12.587  304.837   13.169 13.38809 18.21656 
1 1 1   -7   17   42 o  106.602   17.125   33.138   9.6164   29.189   12.909   38.063   14.415   99.433   24.244  113.772   24.192 -14.33920 34.24910 
1 1 1   -7   17   43 o  274.905   9.2514  207.809   13.722  212.072   19.015  203.176   19.822  277.995   12.658  271.815   13.495 6.179626 18.50287 
1 1 1   -7   17   44 o   80.971   15.279   14.676   6.8191   33.491   12.686   7.0303   8.0867  106.634   22.712   55.308   20.444 51.32673 30.55787 
1 1 1   -7   17   45 o  225.366   6.5249  139.601   7.8530  132.009   11.864  145.521   10.477  219.671   9.9945  231.061   8.3911 -11.38995 13.04988 
1 1 1   -7   17   46 o  360.359   8.5572  354.404   16.663   0.0000   0.0000  354.404   16.663  ?   ?   360.359   8.5572      ?      ? 
1 1 1   -7   17   47 o  161.491   7.8094   70.976   6.7453   76.982   10.458   66.698   8.8265  167.135   11.580  155.848   10.481 11.28741 15.61884 
1 1 1   -7   17   48 o  383.485   6.4558  403.141   13.372  389.627   18.924  416.618   18.897  376.969   9.2899  390.001   8.9670 -13.03278 12.91164 
1 1 1   -7   17   49 o  264.160   6.2026  191.084   8.8192  193.100   13.092  189.410   11.933  265.277   9.1329  263.044   8.3953 2.233185 12.40526 
1 1 1   -7   17   50 o  176.185   7.2661   86.455   6.8414   79.519   10.197   92.133   9.2259  169.368   11.142  183.001   9.3296 -13.63333 14.53223 
1 1 1   -7   17   51 o  182.070   7.2925   92.290   7.1040   86.629   10.615   96.881   9.5604  176.636   11.122  187.504   9.4358 -10.86807 14.58503 
1 1 1   -7   17   52 o  138.717   8.5017   52.218   6.2734   64.046   9.9862   44.507   8.0629  151.227   12.220  126.208   11.823 25.01833 17.00334 
1 1 1   -7   17   53 o   76.207   14.694   18.121   6.1666   17.873   9.5924   18.296   8.0505   75.343   22.114   77.072   19.357 -1.729576 29.38888 
1 1 1   -7   17   54 o  136.887   9.3648   54.939   6.6769   42.995   10.043   64.399   8.9382  122.030   15.231  151.743   10.901 -29.71270 18.72966 
1 1 1   -7   17   55 o  188.392   7.4761   98.967   7.5386  100.026   11.495   98.167   9.9860  188.865   11.263  187.918   9.8341 0.9467621 14.95222 
1 1 1   -7   17   56 o   86.550   14.484   23.503   6.5544   26.001   10.466   21.891   8.4071   89.503   21.834   83.596   19.037 5.907249 28.96825 
1 1 1   -7   17   57 o  151.476   8.7784   63.583   7.0729   81.254   11.069   51.392   9.1945  168.931   12.126  134.020   12.696 34.91104 17.55676 
1 1 1   -7   17   58 o   41.336   13.214  -1.8317   6.3354  -4.9232   9.7820   0.4020   8.3150   40.228   18.690   42.444   18.685 -2.216908 26.42829 
1 1 1   -7   17   59 o  119.036   11.397   42.552   7.2069   41.076   11.091   43.631   9.4814  116.072   17.683  122.001   14.382 -5.929466 22.79330 
1 1 1   -7   17   60 o   89.160   13.943   27.313   6.8684   15.928   10.138   36.972   9.3380   67.692   23.101  110.628   15.621 -42.93633 27.88626 
1 1 1   -7   17   61 o  136.359   10.126   58.117   7.2238   48.226   10.896   65.875   9.6495  123.340   16.348  149.378   11.955 -26.03762 20.25237 
1 1 1   -7   17   62 o   81.240   19.045   27.544   9.4633   30.428   16.486   26.126   11.557   80.760   29.293   81.721   24.348 -0.9614029 38.09035 
1 1 1   -7   18    1 o  895.168   11.094  2169.48   53.658  2186.64   76.554  2152.91   75.231  898.639   15.765  891.698   15.613 6.941040 22.18797 
1 1 1   -7   18    4 o  690.925   8.9187  1291.60   33.297  1291.61   47.325  1291.60   46.856  690.922   12.676  690.929   12.550 -0.7141113E-02 17.83743 
1 1 1   -7   18    6 o  423.132   6.4334  484.109   14.706  483.284   21.022  484.899   20.580  422.775   9.2021  423.488   8.9933 -0.7131958 12.86688 
1 1 1   -7   18    7 o  115.185   9.2423   36.137   5.7072   33.595   8.4348   38.283   7.7508  111.412   14.011  118.958   12.058 -7.546585 18.48467 
1 1 1   -7   18    9 o  830.024   10.379  1864.96   46.549  1851.16   65.591  1878.96   66.073  826.932   14.679  833.117   14.677 -6.184692 20.75741 
1 1 1   -7   18   10 o  594.595   7.9806  956.267   25.640  940.802   36.100  972.010   36.423  589.742   11.328  599.449   11.245 -9.706909 15.96127 
1 1 1   -7   18   12 o  232.580   9.3127  146.278   11.704   0.0000   0.0000  146.278   11.704  ?   ?   232.580   9.3127      ?      ? 
1 1 1   -7   18   13 o  823.226   10.330  1834.74   45.945  1813.52   64.317  1856.86   65.655  818.373   14.544  828.078   14.673 -9.704651 20.65967 
1 1 1   -7   18   14 o  327.290   8.7172  289.660   15.417   0.0000   0.0000  289.660   15.417  ?   ?   327.290   8.7172      ?      ? 
1 1 1   -7   18   15 o  413.367   9.2300  462.130   20.617   0.0000   0.0000  462.130   20.617  ?   ?   413.367   9.2300      ?      ? 
1 1 1   -7   18   16 o  675.823   8.8432  1233.05   32.238  1182.55   44.032  1291.39   47.330  660.967   12.328  690.679   12.681 -29.71234 17.68636 
1 1 1   -7   18   17 o  639.502   8.4890  1106.91   29.334  1103.13   41.629  1110.63   41.340  638.413   12.067  640.592   11.943 -2.179199 16.97790 
1 1 1   -7   18   18 o  250.833   9.3745  170.168   12.706  170.168   12.706   0.0000   0.0000  250.833   9.3745  ?   ?       ?      ? 
1 1 1   -7   18   19 o  344.681   6.4587  321.217   12.027  325.945   17.225  316.720   16.801  347.153   9.1822  342.209   9.0855 4.944214 12.91741 
1 1 1   -7   18   20 o  180.474   8.3279   87.957   8.1081   91.555   11.889   84.827   11.086  183.912   11.963  177.036   11.589 6.876190 16.65580 
1 1 1   -7   18   21 o  492.498   10.077  656.252   26.819   0.0000   0.0000  656.252   26.819  ?   ?   492.498   10.077      ?      ? 
1 1 1   -7   18   22 o  280.949   9.1671  213.507   13.917   0.0000   0.0000  213.507   13.917  ?   ?   280.949   9.1671      ?      ? 
1 1 1   -7   18   23 f  493.287   7.2959  656.950   19.426  623.633   26.742  694.174   28.266  480.076   10.308  506.498   10.328 -26.42264 14.59183 
1 1 1   -7   18   24 o  624.601   8.3662  1056.46   28.237  1052.73   39.985  1060.16   39.880  623.498   11.868  625.704   11.795 -2.205383 16.73232 
1 1 1   -7   18   25 o  463.989   9.9770  582.707   25.015   0.0000   0.0000  582.707   25.015  ?   ?   463.989   9.9770      ?      ? 
1 1 1   -7   18   26 f  601.073   8.1830  974.860   26.520  924.717   36.077  1033.81   39.119  584.337   11.426  617.808   11.718 -33.47125 16.36608 
1 1 1   -7   18   27 o  197.997   7.7371  106.904   8.2139   93.161   11.753  120.024   11.484  185.438   11.729  210.556   10.093 -25.11844 15.47423 
1 1 1   -7   18   28 o  174.410   8.4446   82.863   7.9149   73.866   11.298   91.534   11.091  165.031   12.670  183.788   11.168 -18.75743 16.88919 
1 1 1   -7   18   29 o  593.520   8.0670  954.865   25.870  937.600   36.351  972.584   36.825  588.079   11.439  598.961   11.378 -10.88165 16.13397 
1 1 1   -7   18   30 o  219.942   9.2497  134.969   10.037  122.140   17.946  140.809   12.107  211.899   15.673  227.985   9.8276 -16.08606 18.49939 
1 1 1   -7   18   31 f  442.231   9.6752  532.167   23.085  506.757   32.995  556.531   32.309  431.790   14.141  452.672   13.208 -20.88123 19.35039 
1 1 1   -7   18   32 o  502.964   10.302  687.683   27.976  648.649   38.898  729.505   40.264  488.153   14.746  517.776   14.391 -29.62320 20.60464 
1 1 1   -7   18   33 o   67.233   15.927   7.5169   7.6557  -2.4285   9.9445   21.986   11.995   46.610   20.479   87.856   24.398 -41.24630 31.85310 
1 1 1   -7   18   34 o  396.174   6.5713  425.581   14.061  407.351   19.737  444.371   20.037  387.539   9.4247  404.809   9.1599 -17.27008 13.14265 
1 1 1   -7   18   35 o  193.321   7.5021  102.418   7.7672   90.564   11.282  113.100   10.710  182.507   11.440  204.134   9.7089 -21.62706 15.00424 
1 1 1   -7   18   36 o  581.575   7.9531  919.967   24.989  898.691   34.972  942.163   35.719  574.702   11.261  588.448   11.233 -13.74615 15.90616 
1 1 1   -7   18   37 o  400.159   9.0460  434.892   19.560   0.0000   0.0000  434.892   19.560  ?   ?   400.159   9.0460      ?      ? 
1 1 1   -7   18   38 o  198.959   7.4992  109.238   7.9293   88.255   11.369  129.115   11.065  179.937   11.692  217.981   9.3939 -38.04416 14.99845 
1 1 1   -7   18   39 o   83.713   18.632   19.892   9.4126   21.164   12.747   18.367   13.958   85.731   25.577   81.695   27.102 4.035370 37.26469 
1 1 1   -7   18   40 o  130.175   14.407   48.220   9.8459   53.063   13.784   43.176   14.069  138.139   18.466  122.211   22.118 15.92723 28.81327 
1 1 1   -7   18   41 o  299.590   9.0765  246.401   14.674  248.874   20.300  243.694   21.237  301.295   12.469  297.885   13.193 3.410187 18.15298 
1 1 1   -7   18   42 o  234.722   7.9311  144.511   9.5048  169.775   16.943  132.910   11.481  248.682   12.609  220.762   9.6247 27.91975 15.86223 
1 1 1   -7   18   43 f  187.416   8.7221   95.827   8.1952   98.446   14.705   94.647   9.8701  188.678   14.423  186.154   9.8121 2.524033 17.44412 
1 1 1   -7   18   44 o  121.798   10.015   41.544   6.4299   39.115   10.103   43.198   8.3360  118.394   15.792  125.201   12.322 -6.806801 20.02992 
1 1 1   -7   18   45 o  219.378   6.8235  130.691   7.9996  138.635   12.406  125.037   10.466  224.869   10.209  213.888   9.0557 10.98131 13.64694 
1 1 1   -7   18   46 o   97.112   12.196   26.764   6.1706   28.642   9.6733   25.475   8.0124   98.888   18.790   95.336   15.553 3.551109 24.39176 
1 1 1   -7   18   47 o   53.339   14.243   6.1880   5.8786   0.5809   9.3915   9.8003   7.5381   47.374   20.362   59.304   19.921 -11.92957 28.48620 
1 1 1   -7   18   48 o  177.364   7.5433   88.260   7.0887   77.449   10.704   96.706   9.4609  167.087   11.855  187.641   9.3307 -20.55342 15.08656 
1 1 1   -7   18   49 o   83.491   13.151   21.711   5.9132   14.350   9.1026   27.085   7.7778   69.116   21.805   97.867   14.707 -28.75042 26.30126 
1 1 1   -7   18   50 o  106.520   10.565   31.727   6.0363   36.956   9.2002   27.774   7.9986  114.122   14.919   98.919   14.964 15.20269 21.13049 
1 1 1   -7   18   51 o  260.214   6.4172  185.243   8.9648  199.254   13.640  174.587   11.895  268.619   9.3970  251.809   8.7418 16.80975 12.83441 
1 1 1   -7   18   52 o   61.585   15.189   10.891   6.1160   11.904   9.6844   10.219   7.8881   63.808   22.532   59.363   20.375 4.445118 30.37827 
1 1 1   -7   18   53 o  237.857   6.5717  156.350   8.3779  160.236   12.745  153.394   11.117  240.102   9.8235  235.612   8.7320 4.489899 13.14336 
1 1 1   -7   18   54 o   91.337   13.371   26.897   6.3991   17.778   9.8386   33.583   8.4244   74.518   22.524  108.155   14.415 -33.63662 26.74201 
1 1 1   -7   18   55 o  102.030   12.457   32.068   6.5153   28.290   10.053   34.804   8.5553   94.465   20.299  109.596   14.446 -15.13057 24.91460 
1 1 1   -7   18   56 o  133.356   10.003   52.085   7.0890   48.387   10.780   54.903   9.4100  128.174   15.564  138.538   12.570 -10.36345 20.00601 
1 1 1   -7   18   57 o   86.451   14.691   24.534   6.7233   27.294   10.327   22.503   8.8578   90.171   21.498   82.732   20.028 7.438354 29.38142 
1 1 1   -7   18   58 o   92.016   13.893   28.668   6.8702   17.174   10.401   37.565   9.1508   71.209   23.383  112.822   15.010 -41.61373 27.78607 
1 1 1   -7   18   59 o   62.345   15.921   12.472   6.8368   16.471   10.612   9.6340   8.9389   68.369   23.623   56.321   21.352 12.04799 31.84281 
1 1 1   -7   18   60 o   98.488   13.323   31.128   6.8587   49.158   10.788   18.895   8.8858  124.988   15.973   71.988   21.327 52.99984 26.64518 
1 1 1   -7   18   61 o   71.854   17.331   21.485   9.3225   7.3423   15.596   29.347   11.629   56.144   25.100   87.565   23.905 -31.42109 34.66236 
1 1 1   -7   19    4 o  632.763   8.3911  1083.28   28.690  1071.68   40.413  1095.07   40.737  629.347   11.883  636.179   11.850 -6.832764 16.78214 
1 1 1   -7   19    5 o  750.508   13.557  1524.75   54.982   0.0000   0.0000  1524.75   54.982  ?   ?   750.508   13.557      ?      ? 
1 1 1   -7   19    7 o  792.673   10.053  1697.48   42.994  1634.58   58.841  1769.54   62.975  776.979   14.015  808.368   14.417 -31.38947 20.10604 
1 1 1   -7   19    8 o  396.188   6.5970  424.479   14.122  417.844   19.889  431.225   20.056  393.064   9.3641  399.312   9.2949 -6.247498 13.19400 
1 1 1   -7   19    9 o  243.244   6.6685  159.991   8.7638  161.971   12.529  158.094   12.263  244.717   9.4748  241.772   9.3864 2.944458 13.33701 
1 1 1   -7   19   10 o  548.845   10.745  814.998   31.868   0.0000   0.0000  814.998   31.868  ?   ?   548.845   10.745      ?      ? 
1 1 1   -7   19   11 o  468.023   9.7755  592.511   24.723   0.0000   0.0000  592.511   24.723  ?   ?   468.023   9.7755      ?      ? 
1 1 1   -7   19   12 o  260.578   6.6301  183.341   9.3277  174.781   12.893  192.744   13.512  254.206   9.3858  266.950   9.3668 -12.74397 13.26010 
1 1 1   -7   19   14 f  843.018   10.651  1924.89   48.513  1900.08   67.949  1950.69   69.285  837.484   15.015  848.551   15.110 -11.06689 21.30174 
1 1 1   -7   19   15 o  390.097   6.7688  411.610   14.268  411.166   20.237  412.049   20.119  389.886   9.6056  390.307   9.5393 -0.4215088 13.53760 
1 1 1   -7   19   16 o  843.468   10.649  1923.97   48.468  1860.29   66.439  1996.40   70.862  828.616   14.838  858.320   15.278 -29.70453 21.29787 
1 1 1   -7   19   17 o  368.628   9.5570  367.594   19.037   0.0000   0.0000  367.594   19.037  ?   ?   368.628   9.5570      ?      ? 
1 1 1   -7   19   18 o  617.303   8.3697  1031.16   27.913  1011.37   38.999  1051.94   39.968  611.237   11.808  623.369   11.865 -12.13153 16.73942 
1 1 1   -7   19   19 o  474.049   10.244  608.033   26.240   0.0000   0.0000  608.033   26.240  ?   ?   474.049   10.244      ?      ? 
1 1 1   -7   19   20 o  533.643   7.7128  769.784   22.227  743.170   30.785  798.765   32.125  524.023   10.872  543.264   10.943 -19.24091 15.42567 
1 1 1   -7   19   21 f   66.189   16.650   9.5103   7.7472   14.946   11.058   4.2694   10.857   74.980   24.073   57.398   23.009 17.58251 33.30039 
1 1 1   -7   19   23 o  769.766   13.915  1606.55   57.882   0.0000   0.0000  1606.55   57.882  ?   ?   769.766   13.915      ?      ? 
1 1 1   -7   19   25 o  407.613   6.7379  448.811   14.823  420.879   20.461  479.664   21.504  394.288   9.6032  420.938   9.4538 -26.64908 13.47571 
1 1 1   -7   19   26 o  200.702   7.7919  108.435   8.4207  118.422   12.563  100.288   11.347  209.031   11.122  192.374   10.915 16.65794 15.58375 
1 1 1   -7   19   27 o  389.491   6.6908  410.828   14.072  390.677   19.768  431.533   20.037  379.791   9.6322  399.190   9.2891 -19.39944 13.38157 
1 1 1   -7   19   28 o  398.835   9.5867  430.407   20.586  381.531   28.269  485.586   30.037  374.757   13.960  422.914   13.144 -48.15671 19.17349 
1 1 1   -7   19   29 f  185.710   11.367   90.034   11.107  111.441   18.468   77.905   13.901  202.210   16.902  169.209   15.204 33.00142 22.73367 
1 1 1   -7   19   30 o  245.567   10.027  163.277   13.112  168.694   20.501  159.527   17.058  248.863   15.245  242.271   13.030 6.592316 20.05451 
1 1 1   -7   19   31 o  323.091   6.5917  282.036   11.486  260.243   15.759  306.736   16.777  309.811   9.4131  336.371   9.2302 -26.56033 13.18345 
1 1 1   -7   19   32 o   57.587   15.430   6.6394   6.6074   5.1389   9.9198   7.8360   8.8585   56.343   22.184   58.831   21.452 -2.487373 30.85953 
1 1 1   -7   19   33 o  271.260   9.0875  199.591   13.320   0.0000   0.0000  199.591   13.320  ?   ?   271.260   9.0875      ?      ? 
1 1 1   -7   19   34 o  271.137   6.5915  200.095   9.6297  185.085   13.738  214.594   13.502  261.056   9.7388  281.218   8.8851 -20.16248 13.18295 
1 1 1   -7   19   35 o  329.596   8.9709  294.996   15.977   0.0000   0.0000  294.996   15.977  ?   ?   329.596   8.9709      ?      ? 
1 1 1   -7   19   36 o  279.671   8.1754  214.837   11.729  218.722   14.545  207.613   19.834  283.704   9.4878  275.637   13.317 8.066559 16.35088 
1 1 1   -7   19   37 o  158.232   12.101   69.121   10.292   69.865   13.904   68.221   15.306  159.349   16.148  157.114   18.029 2.234879 24.20290 
1 1 1   -7   19   38 o  422.819   9.5633  486.791   21.762  452.703   29.215  529.279   32.617  406.409   13.303  439.229   13.742 -32.82074 19.12668 
1 1 1   -7   19   39 o  201.007   10.645  111.492   11.458  111.824   15.237  111.059   17.383  201.633   13.985  200.380   16.054 1.254044 21.29093 
1 1 1   -7   19   40 o  219.356   9.9904  130.367   11.739  115.676   15.426  150.586   18.096  204.973   13.927  233.739   14.327 -28.76578 19.98082 
1 1 1   -7   19   41 o  157.083   11.433   66.963   9.0657   64.265   10.919   72.950   16.265  152.811   13.224  161.356   18.654 -8.545563 22.86576 
1 1 1   -7   19   42 o  149.631   11.054   65.947   7.8345   54.234   14.469   70.805   9.3187  138.517   19.331  160.745   10.728 -22.22766 22.10821 
1 1 1   -7   19   43 o  180.740   7.6779   89.618   7.3919   90.075   11.467   89.293   9.6686  180.895   11.731  180.586   9.9082 0.3086090 15.35571 
1 1 1   -7   19   44 o  151.172   8.7163   64.894   6.9103   51.521   10.310   75.800   9.3112  136.149   14.014  166.195   10.368 -30.04626 17.43268 
1 1 1   -7   19   45 o   59.022   14.428   8.9403   6.0406   2.1715   9.2664   13.942   7.9657   49.292   20.662   68.752   20.144 -19.46020 28.85672 
1 1 1   -7   19   46 o  202.536   6.9247  112.178   7.5005  116.991   11.561  108.680   9.8562  206.048   10.384  199.025   9.1646 7.023666 13.84948 
1 1 1   -7   19   47 o  221.671   6.8132  135.876   8.0712  130.148   12.205  140.329   10.760  217.168   10.400  226.174   8.8041 -9.006027 13.62642 
1 1 1   -7   19   48 o  131.040   9.0906   47.335   6.3783   53.864   9.8692   42.652   8.3584  138.560   13.181  123.521   12.523 15.03819 18.18129 
1 1 1   -7   19   49 o   55.499   13.941   6.7878   6.0156  -2.3837   9.0028   14.186   8.0857   42.576   19.050   68.423   20.361 -25.84730 27.88272 
1 1 1   -7   19   50 o  120.608   10.097   41.992   6.4372   37.429   9.8195   45.430   8.5245  114.036   15.935  127.180   12.404 -13.14484 20.19388 
1 1 1   -7   19   51 o   76.621   14.794   17.953   6.2287   21.643   9.7872   15.441   8.0751   82.708   21.647   70.535   20.171 12.17336 29.58833 
1 1 1   -7   19   52 o  141.076   9.2733   57.101   6.9453   52.882   10.604   60.272   9.1913  135.721   14.458  146.431   11.616 -10.70930 18.54653 
1 1 1   -7   19   53 o   80.934   14.319   19.364   6.2994   29.123   10.099   13.149   8.0592   96.717   19.985   65.151   20.513 31.56577 28.63890 
1 1 1   -7   19   54 o  272.011   6.6597  205.895   9.7238  208.191   14.645  204.084   13.004  272.907   9.9306  271.115   8.8765 1.792053 13.31949 
1 1 1   -7   19   55 o  186.638   7.8264   97.753   7.8543  107.203   11.849   90.345   10.490  194.456   11.276  178.820   10.856 15.63628 15.65276 
1 1 1   -7   19   56 o   91.784   13.939   27.999   6.7894   21.537   10.315   32.938   9.0185   78.919   22.866  104.648   15.948 -25.72842 27.87811 
1 1 1   -7   19   57 o  180.245   8.1666   93.160   7.8896   85.314   11.558  100.006   10.796  172.374   12.408  188.117   10.621 -15.74286 16.33314 
1 1 1   -7   19   58 o   58.138   14.315   9.4182   6.7244  -3.5620   10.247   19.235   8.9115   41.740   19.300   74.535   21.147 -32.79475 28.63022 
1 1 1   -7   19   59 o   56.422   16.892   8.2427   7.8972   14.973   15.742   5.9794   9.1290   63.471   26.785   49.373   20.587 14.09764 33.78301 
1 1 1   -7   19   60 o   56.001   17.107   7.4496   8.9871   16.525   15.523   2.8739   11.022   64.336   26.838   47.665   21.220 16.67115 34.21359 
1 1 1   -7   20    4 o  626.363   8.4222  1061.73   28.505  1046.10   40.126  1077.65   40.500  621.708   11.944  631.018   11.877 -9.310120 16.84447 
1 1 1   -7   20    5 o  654.987   8.7218  1159.60   30.843  1123.41   42.561  1199.64   44.760  644.247   12.226  665.726   12.442 -21.47870 17.44354 
1 1 1   -7   20    9 o  281.849   11.677  214.984   17.784  214.984   17.784   0.0000   0.0000  281.849   11.677  ?   ?       ?      ? 
1 1 1   -7   20   10 o  766.473   9.8787  1590.90   40.911  1607.24   58.347  1575.09   57.379  770.339   14.017  762.607   13.924 7.732178 19.75732 
1 1 1   -7   20   11 o  178.902   13.645   86.683   13.191   0.0000   0.0000   86.683   13.191  ?   ?   178.902   13.645      ?      ? 
1 1 1   -7   20   12 f  473.226   10.245  605.909   26.198  605.909   26.198   0.0000   0.0000  473.226   10.245  ?   ?       ?      ? 
1 1 1   -7   20   13 o   90.690   16.389   23.264   8.0695   21.840   11.549   24.622   11.280   88.091   23.730   93.289   22.612 -5.198135 32.77798 
1 1 1   -7   20   14 o  363.493   6.8852  357.143   13.518  343.464   18.822  371.715   19.426  356.309   9.7758  370.677   9.6983 -14.36832 13.77038 
1 1 1   -7   20   15 o  403.653   9.8830  440.814   21.557   0.0000   0.0000  440.814   21.557  ?   ?   403.653   9.8830      ?      ? 
1 1 1   -7   20   17 o  210.702   8.2508  120.215   9.3926  121.192   13.201  119.214   13.367  211.574   11.547  209.831   11.789 1.743042 16.50167 
1 1 1   -7   20   19 o  226.452   10.660  138.837   13.044   0.0000   0.0000  138.837   13.044  ?   ?   226.452   10.660      ?      ? 
1 1 1   -7   20   20 f  254.365   7.3120  175.285   10.033  162.572   14.134  188.197   14.244  245.046   10.674  263.685   9.9964 -18.63928 14.62407 
1 1 1   -7   20   21 o  498.576   10.315  672.969   27.789   0.0000   0.0000  672.969   27.789  ?   ?   498.576   10.315      ?      ? 
1 1 1   -7   20   22 o  341.525   9.3998  315.743   17.347   0.0000   0.0000  315.743   17.347  ?   ?   341.525   9.3998      ?      ? 
1 1 1   -7   20   23 o  245.294   7.2230  162.879   9.5644  165.314   13.882  160.678   13.196  247.027   10.400  243.562   10.027 3.464996 14.44595 
1 1 1   -7   20   24 o  250.437   9.9729  169.900   13.496   0.0000   0.0000  169.900   13.496  ?   ?   250.437   9.9729      ?      ? 
1 1 1   -7   20   25 o  211.665   10.442  123.200   10.777  118.423   19.982  125.160   12.798  208.458   17.739  214.872   11.023 -6.413712 20.88463 
1 1 1   -7   20   26 o  429.854   10.091  503.174   23.385  484.459   33.844  520.270   32.348  422.087   14.839  437.620   13.679 -15.53287 20.18184 
1 1 1   -7   20   27 o  295.410   9.9282  239.589   15.558  224.031   23.979  250.901   20.447  286.847   15.470  303.974   12.448 -17.12671 19.85646 
1 1 1   -7   20   28 o  457.167   10.208  567.688   25.162  516.892   34.754  623.649   36.478  435.644   14.763  478.689   14.102 -43.04517 20.41628 
1 1 1   -7   20   29 o  264.839   6.9220  188.715   9.8615  206.923   14.829  174.280   13.204  276.183   9.9366  253.494   9.6395 22.68916 13.84398 
1 1 1   -7   20   30 o  377.819   6.5881  387.194   13.444  386.170   19.294  388.160   18.744  377.310   9.4630  378.327   9.1687 -1.016602 13.17626 
1 1 1   -7   20   31 o  206.785   7.2889  115.516   8.1041  122.027   12.203  110.378   10.840  211.934   10.656  201.636   9.9485 10.29811 14.57787 
1 1 1   -7   20   32 o  157.299   8.8271   66.556   7.4542   76.860   11.299   58.615   9.9188  167.943   12.451  146.656   12.516 21.28792 17.65429 
1 1 1   -7   20   33 o  119.258   14.203   36.598   8.5517   23.577   10.624   60.563   14.413   90.303   21.979  148.213   17.996 -57.91006 28.40663 
1 1 1   -7   20   34 o  140.527   14.118   53.165   9.9260   33.536   12.814   82.613   15.695  107.748   22.723  173.306   16.760 -65.55785 28.23546 
1 1 1   -7   20   35 o  352.961   9.1623  339.134   17.425  322.973   23.586  358.559   25.857  343.822   12.695  362.101   13.215 -18.27881 18.32468 
1 1 1   -7   20   36 o  184.689   11.030   94.886   10.892  104.865   14.952   83.604   15.900  195.449   14.157  173.929   16.917 21.52057 22.05947 
1 1 1   -7   20   37 o  114.424   15.906   35.032   9.4864   23.559   11.959   54.505   15.580   89.493   24.164  139.355   20.690 -49.86240 31.81110 
1 1 1   -7   20   38 o  129.568   9.8276   46.665   6.8048   41.912   10.048   50.692   9.2484  123.200   15.093  135.937   12.590 -12.73698 19.65527 
1 1 1   -7   20   39 o   79.597   16.906   18.852   7.7630   20.991   9.4679   14.464   13.561   84.647   20.839   74.546   26.626 10.10123 33.81155 
1 1 1   -7   20   40 o  147.647   11.293   60.839   8.6691   61.354   10.909   59.955   14.281  149.101   13.540  146.193   18.078 2.907791 22.58626 
1 1 1   -7   20   41 f   83.225   14.097   23.110   7.0597   4.4032   12.184   32.563   8.6617   58.238   23.989  108.212   14.813 -49.97369 28.19401 
1 1 1   -7   20   42 o  174.065   8.0178   82.733   7.4348   87.017   11.646   79.786   9.6591  177.613   12.135  170.517   10.483 7.096542 16.03558 
1 1 1   -7   20   43 o  186.675   7.4309   95.815   7.4341   95.312   11.236   96.207   9.9143  186.033   11.177  187.317   9.7948 -1.284088 14.86187 
1 1 1   -7   20   44 o   64.908   15.171   11.384   6.2391   16.227   9.6026   7.8457   8.2076   73.612   22.253   56.204   20.626 17.40783 30.34162 
1 1 1   -7   20   45 o   50.309   14.502   3.3631   6.1432   6.1983   9.6536   1.4336   7.9637   55.517   21.876   45.101   19.043 10.41584 29.00314 
1 1 1   -7   20   46 o   67.878   14.167   13.988   6.1329   5.1038   9.4937   20.351   8.0343   53.326   21.466   82.431   18.492 -29.10502 28.33309 
1 1 1   -7   20   47 o   62.757   15.184   11.331   6.2448   9.0153   9.5832   13.040   8.2327   59.452   22.199   66.062   20.722 -6.609394 30.36767 
1 1 1   -7   20   48 o   55.961   13.922   3.6746   6.3210   17.780   9.5591  -7.2853   8.4262   75.644   22.039   36.279   17.015 39.36548 27.84323 
1 1 1   -7   20   49 o   71.673   15.146   15.465   6.3333   20.100   9.7167   12.042   8.3510   79.882   21.870   63.463   20.958 16.41973 30.29118 
1 1 1   -7   20   50 o   36.035   11.994  -8.4901   6.1864 -15.4123   9.5493  -3.4840   8.1209   33.308   16.251   38.762   17.645 -5.453884 23.98822 
1 1 1   -7   20   51 o  250.527   6.8034  174.355   9.1519  173.197   13.701  175.289   12.298  249.384   10.167  251.670   9.0432 -2.286255 13.60672 
1 1 1   -7   20   52 o   65.501   15.434   12.897   6.3513   16.593   9.9264   10.336   8.2645   71.764   22.784   59.237   20.825 12.52726 30.86770 
1 1 1   -7   20   53 o  175.756   8.0359   87.704   7.5012   84.475   11.591   90.031   9.8395  172.188   12.458  179.324   10.154 -7.135406 16.07170 
1 1 1   -7   20   54 o   75.966   15.733   19.195   6.8372   22.287   10.413   16.853   9.0650   80.833   22.833   71.098   21.650 9.735809 31.46562 
1 1 1   -7   20   55 o   50.425   14.734   4.6933   6.7393   0.0082   10.089   8.4687   9.0563   45.631   20.309   55.218   21.351 -9.586357 29.46722 
1 1 1   -7   20   56 o  156.578   12.475   70.443   10.555   0.0000   0.0000   70.443   10.555  ?   ?   156.578   12.475      ?      ? 
1 1 1   -7   20   57 o   63.043   15.423   14.174   6.8245   7.8577   10.480   18.824   8.9923   53.549   22.171   72.536   21.445 -18.98755 30.84544 
1 1 1   -7   20   58 o   69.456   18.137   19.357   9.3383   13.284   15.737   22.658   11.602   62.475   26.592   76.437   24.670 -13.96159 36.27316 
1 1 1   -7   20   59 o   78.048   19.103   25.287   9.3561   33.716   16.362   21.191   11.405   83.904   29.314   72.192   24.502 11.71218 38.20510 
1 1 1   -7   21    1 o  396.179   6.8112  424.672   14.579  417.323   20.660  431.962   20.577  392.759   9.7344  399.599   9.5296 -6.840332 13.62247 
1 1 1   -7   21    2 o  294.908   6.9285  235.294   11.041  233.349   15.616  237.237   15.612  293.688   9.8399  296.128   9.7566 -2.439972 13.85693 
1 1 1   -7   21    3 o  713.848   9.3413  1379.73   36.020  1392.96   51.737  1367.28   50.179  717.151   13.351  710.544   13.069 6.606628 18.68269 
1 1 1   -7   21    4 o  391.130   9.9247  413.893   20.976  413.893   20.976   0.0000   0.0000  391.130   9.9247  ?   ?       ?      ? 
1 1 1   -7   21    5 o  297.345   7.0260  239.021   11.273  221.946   15.718  257.109   16.178  286.409   10.156  308.282   9.7116 -21.87268 14.05208 
1 1 1   -7   21    6 o  505.801   7.5500  692.100   20.632  678.679   28.890  706.071   29.476  500.798   10.676  510.804   10.679 -10.00620 15.09991 
1 1 1   -7   21    7 o  528.391   7.7264  755.474   22.058  739.035   31.013  772.304   31.380  522.570   10.983  534.212   10.870 -11.64154 15.45282 
1 1 1   -7   21    8 f  481.031   7.4368  625.790   19.324  604.429   27.006  648.203   27.663  472.620   10.575  489.443   10.460 -16.82266 14.87369 
1 1 1   -7   21    9 o  790.103   14.320  1691.41   61.140   0.0000   0.0000  1691.41   61.140  ?   ?   790.103   14.320      ?      ? 
1 1 1   -7   21   10 o  774.128   9.9972  1623.28   41.813  1601.31   58.506  1646.22   59.779  768.783   14.084  779.474   14.193 -10.69116 19.99439 
1 1 1   -7   21   11 o  287.033   7.2961  222.841   11.308  210.860   15.817  235.365   16.172  279.138   10.486  294.927   10.147 -15.78885 14.59217 
1 1 1   -7   21   12 o  584.157   8.2082  923.305   25.901  900.337   36.049  947.814   37.238  576.656   11.569  591.657   11.647 -15.00061 16.41635 
1 1 1   -7   21   13 o  334.926   9.7918  303.570   17.721   0.0000   0.0000  303.570   17.721  ?   ?   334.926   9.7918      ?      ? 
1 1 1   -7   21   15 o  429.822   7.1506  500.012   16.604  484.993   23.338  515.405   23.628  423.280   10.204  436.364   10.021 -13.08389 14.30125 
1 1 1   -7   21   16 o  498.507   7.5600  671.667   20.347  642.557   28.096  703.774   29.507  487.169   10.673  509.844   10.710 -22.67502 15.11994 
1 1 1   -7   21   18 o  302.291   10.166  247.418   16.606  247.418   16.606   0.0000   0.0000  302.291   10.166  ?   ?       ?      ? 
1 1 1   -7   21   20 o  333.993   6.8800  302.286   12.404  298.214   17.889  306.057   17.214  331.805   9.9772  336.181   9.4759 -4.376648 13.76003 
1 1 1   -7   21   21 o  726.367   9.4901  1432.23   37.248  1414.83   52.440  1449.95   52.915  721.909   13.443  730.825   13.399 -8.916077 18.98025 
1 1 1   -7   21   22 o  234.113   7.8967  148.205   9.9685  154.320   14.685  142.980   13.576  238.563   11.392  229.662   10.939 8.901047 15.79336 
1 1 1   -7   21   23 o  541.735   11.269  794.029   32.890  728.378   44.571  872.523   48.736  517.295   15.945  566.176   15.930 -48.88055 22.53882 
1 1 1   -7   21   24 o  380.754   10.115  394.692   20.696  389.865   30.837  398.649   27.918  378.497   15.077  383.011   13.489 -4.514862 20.23077 
1 1 1   -7   21   25 o  375.608   10.153  385.194   20.512  343.018   29.029  427.252   28.988  354.855   15.139  396.361   13.535 -41.50555 20.30680 
1 1 1   -7   21   26 f  312.536   13.306  265.766   22.471   0.0000   0.0000  265.766   22.471  ?   ?   312.536   13.306      ?      ? 
1 1 1   -7   21   27 o   58.807   15.670   6.5546   7.0536   1.0875   10.604   10.893   9.4467   52.296   22.022   65.318   22.299 -13.02144 31.34031 
1 1 1   -7   21   28 o  242.834   7.2604  160.423   9.5025  154.647   13.789  165.647   13.114  238.613   10.694  247.055   9.8230 -8.441605 14.52082 
1 1 1   -7   21   29 o   76.431   15.045   15.289   7.3151   27.632   10.462   3.4856   10.231   98.364   20.355   54.498   22.161 43.86612 30.09028 
1 1 1   -7   21   30 o  365.304   8.1799  360.440   15.484  353.248   19.244  373.649   26.079  360.560   9.8771  370.047   13.042 -9.487335 16.35990 
1 1 1   -7   21   31 o  146.917   12.764   60.012   10.047   66.126   13.871   53.266   14.571  155.091   16.552  138.744   19.435 16.34746 25.52831 
1 1 1   -7   21   32 o   59.126   16.958   2.6416   8.5694  -2.7162   11.177   10.282   13.347   49.075   21.631   69.178   26.123 -20.10360 33.91666 
1 1 1   -7   21   33 o  429.436   9.6519  504.839   22.397  509.685   31.684  500.000   31.664  431.522   13.588  427.352   13.712 4.169861 19.30378 
1 1 1   -7   21   34 o  141.745   12.904   55.196   9.8326   50.225   13.125   61.554   14.844  134.584   18.047  148.906   18.448 -14.32162 25.80779 
1 1 1   -7   21   35 o  163.274   9.8690   73.240   8.2830   73.491   14.072   73.106   10.246  163.050   15.972  163.499   11.597 -0.4490662 19.73797 
1 1 1   -7   21   36 o  187.506   7.8138   95.704   7.8863  100.554   11.786   91.772   10.612  191.724   11.376  183.288   10.715 8.436005 15.62759 
1 1 1   -7   21   37 o  418.532   6.8561  478.089   15.498  465.976   22.072  489.867   21.765  413.222   9.8850  423.842   9.5033 -10.62039 13.71222 
1 1 1   -7   21   38 f  139.095   12.300   52.969   8.7400   50.754   10.647   57.545   15.303  135.428   14.549  142.762   19.837 -7.333740 24.60085 
1 1 1   -7   21   39 o  296.201   8.0284  236.771   12.227  227.590   15.000  254.955   21.110  288.488   9.6222  303.913   12.854 -15.42490 16.05681 
1 1 1   -7   21   40 o   99.202   14.207   24.910   7.3319   46.171   12.827   14.593   8.9354  127.673   18.593   70.731   21.485 56.94145 28.41300 
1 1 1   -7   21   41 o  172.539   9.1264   85.339   7.9563   73.423   13.363   91.883   9.9029  162.040   15.262  183.039   10.012 -20.99953 18.25274 
1 1 1   -7   21   42 o  304.081   8.7441  253.069   14.368   0.0000   0.0000  253.069   14.368  ?   ?   304.081   8.7441      ?      ? 
1 1 1   -7   21   43 o   41.887   13.380  -3.6035   6.2202  -2.0027   10.210  -4.5484   7.8440   46.236   20.512   37.539   17.185 8.697403 26.75907 
1 1 1   -7   21   44 o  130.652   9.9444   48.774   6.8609   42.900   10.459   53.211   9.0900  122.999   15.736  138.306   12.163 -15.30684 19.88888 
1 1 1   -7   21   45 o  196.682   7.3823  106.686   7.7713  109.571   11.899  104.540   10.262  198.699   11.082  194.665   9.7558 4.034348 14.76461 
1 1 1   -7   21   46 o   48.013   14.249   0.4603   6.2470   7.5401   10.190  -3.8031   7.9073   57.795   22.564   38.230   17.406 19.56495 28.49724 
1 1 1   -7   21   47 o  160.241   8.5236   70.981   7.3307   82.368   11.116   62.217   9.7521  171.490   11.995  148.992   12.113 22.49791 17.04722 
1 1 1   -7   21   48 o  195.710   7.4777  105.472   7.8337  115.377   12.114   98.352   10.270  203.261   11.029  188.160   10.101 15.10063 14.95548 
1 1 1   -7   21   49 o  146.398   9.2214   59.267   7.1939   71.192   11.377   51.324   9.2859  158.202   13.309  134.594   12.768 23.60834 18.44281 
1 1 1   -7   21   50 o  151.037   9.0372   64.044   7.2453   67.927   11.493   61.483   9.3334  154.220   13.792  147.854   11.682 6.365585 18.07436 
1 1 1   -7   21   51 o  140.002   9.6051   54.642   7.1502   70.036   11.199   44.049   9.2900  156.355   13.255  123.648   13.904 32.70791 19.21014 
1 1 1   -7   21   52 o   46.005   13.908  -1.2330   6.4987   8.3549   9.9227  -8.4347   8.5997   56.852   22.247   35.157   16.699 21.69512 27.81662 
1 1 1   -7   21   53 o   50.049   14.592   4.9047   6.5339   1.0908   9.8074   7.9485   8.7614   46.163   20.308   53.935   20.960 -7.772594 29.18443 
1 1 1   -7   21   54 o  102.207   13.665   32.777   7.2897   49.632   10.922   19.235   9.7896  129.063   15.660   75.352   22.399 53.71153 27.33050 
1 1 1   -7   21   55 o   86.452   15.416   24.675   7.1507   28.390   10.972   21.933   9.4277   91.756   22.339   81.149   21.249 10.60696 30.83113 
1 1 1   -7   21   56 o   48.241   14.990  -1.4185   9.1552 -30.1126   15.990   12.577   11.167   37.247   18.657   59.235   23.468 -21.98802 29.98079 
1 1 1   -7   21   57 o  129.449   16.303   63.616   10.147   43.153   16.625   75.766   12.810  101.396   28.925  157.503   15.052 -56.10739 32.60646 
1 1 1   -7   21   58 o   56.111   16.315   10.916   7.9532   10.739   11.352   11.086   11.145   55.916   23.107   56.305   23.039 -0.3886337 32.62982 
1 1 1   -7   22    1 o  133.806   11.546   48.527   8.2660   58.212   12.020   39.836   11.386  146.497   15.183  121.115   17.397 25.38246 23.09111 
1 1 1   -7   22    2 o   81.187   15.491   17.547   7.5152   7.5303   10.318   28.864   10.967   61.205   23.000  101.169   20.758 -39.96393 30.98164 
1 1 1   -7   22    3 f  687.860   12.941  1282.05   48.100   0.0000   0.0000  1282.05   48.100  ?   ?   687.860   12.941      ?      ? 
1 1 1   -7   22    4 o  478.812   7.4157  620.630   19.184  606.221   27.071  635.166   27.189  473.221   10.586  484.404   10.387 -11.18314 14.83136 
1 1 1   -7   22    5 o  332.256   7.0551  298.327   12.652  308.020   18.436  289.699   17.395  337.341   10.114  327.170   9.8390 10.17038 14.11013 
1 1 1   -7   22    6 f  235.492   10.693  150.141   13.607  150.141   13.607   0.0000   0.0000  235.492   10.693  ?   ?       ?      ? 
1 1 1   -7   22    9 o  117.759   19.209   37.717   12.223   0.0000   0.0000   37.717   12.223  ?   ?   117.759   19.209      ?      ? 
1 1 1   -7   22   10 o  195.878   8.6839  103.929   9.1819  110.513   13.106   97.582   12.868  201.981   12.008  189.774   12.548 12.20679 17.36782 
1 1 1   -7   22   12 o  628.862   8.6218  1068.40   29.248  1018.47   39.963  1125.99   42.922  613.107   12.062  644.617   12.322 -31.51044 17.24362 
1 1 1   -7   22   13 o  627.446   8.5645  1066.23   29.019  1084.88   41.940  1049.11   40.194  632.681   12.268  622.211   11.955 10.47034 17.12907 
1 1 1   -7   22   15 o  370.024   9.7973  370.808   19.590   0.0000   0.0000  370.808   19.590  ?   ?   370.024   9.7973      ?      ? 
1 1 1   -7   22   17 o  218.957   8.0787  129.940   9.5568  126.895   13.386  133.106   13.648  216.339   11.451  221.574   11.399 -5.234619 16.15733 
1 1 1   -7   22   18 o  601.012   8.3634  979.621   27.158  958.459   38.234  1001.17   38.583  594.447   11.903  607.577   11.752 -13.13068 16.72685 
1 1 1   -7   22   19 o  435.172   9.4460  514.030   20.041  514.865   37.566  513.697   23.695  434.940   15.984  435.404   10.071 -0.4641724 18.89205 
1 1 1   -7   22   20 o  182.664   15.457   96.768   14.276   72.838   22.858  112.072   18.280  162.520   26.028  202.808   16.680 -40.28738 30.91451 
1 1 1   -7   22   21 o   97.722   21.294   24.224   12.708   39.122   19.812   13.811   16.565  116.431   30.956   79.014   29.249 37.41681 42.58849 
1 1 1   -7   22   22 o  266.765   11.255  193.258   15.814  197.680   25.503  190.495   20.157  268.968   17.547  264.562   14.100 4.406372 22.50992 
1 1 1   -7   22   23 o  421.486   14.036  483.784   31.968   0.0000   0.0000  483.784   31.968  ?   ?   421.486   14.036      ?      ? 
1 1 1   -7   22   24 o  667.439   8.9321  1211.80   32.214  1199.75   45.418  1224.00   45.699  664.091   12.656  670.788   12.608 -6.697021 17.86427 
1 1 1   -7   22   25 o   47.507   20.754  -1.8856   10.085   0.0000   0.0000  -1.8856   10.085  ?   ?    47.507   20.754      ?      ? 
1 1 1   -7   22   26 o  502.659   9.2102  687.151   23.757  684.328   29.299  692.568   40.590  501.813   10.805  503.506   14.919 -1.692322 18.42044 
1 1 1   -7   22   27 o   65.810   18.348   7.1125   9.5168   5.4640   12.506   9.3806   14.669   61.523   24.683   70.097   27.154 -8.573551 36.69543 
1 1 1   -7   22   28 o  357.226   9.3184  348.350   17.971  344.595   24.838  352.477   26.036  355.276   12.938  359.177   13.414 -3.901123 18.63683 
1 1 1   -7   22   29 o  284.798   9.4085  220.916   14.456  206.622   19.820  237.162   21.130  274.979   13.339  294.618   13.272 -19.63861 18.81710 
1 1 1   -7   22   30 o  116.868   15.824   38.827   9.6347   39.032   12.576   38.536   14.992  118.685   19.609  115.051   24.842 3.634163 31.64807 
1 1 1   -7   22   31 f  131.635   12.218   45.485   8.4474   58.694   14.127   38.134   10.539  145.661   17.949  117.610   16.583 28.05076 24.43676 
1 1 1   -7   22   32 o  260.676   6.8889  185.218   9.6678  183.112   14.254  187.012   13.157  259.208   10.176  262.143   9.2881 -2.934784 13.77772 
1 1 1   -7   22   33 o  231.447   7.1918  146.443   8.9513  142.412   13.219  149.856   12.165  228.379   10.711  234.514   9.5997 -6.134796 14.38353 
1 1 1   -7   22   34 o  100.828   13.105   29.286   6.8803   25.701   10.307   32.167   9.2408   93.856   20.863  107.800   15.864 -13.94450 26.20903 
1 1 1   -7   22   35 o   73.623   15.635   15.307   6.7973   19.486   9.9979   11.715   9.2690   81.495   22.132   65.752   22.090 15.74309 31.26956 
1 1 1   -7   22   36 o  133.917   10.429   51.113   7.3008   38.351   10.671   62.345   10.011  117.238   16.843  150.597   12.302 -33.35859 20.85741 
1 1 1   -7   22   37 o   50.159   14.499   0.0347   6.8821   9.1716   9.7786  -8.9327   9.6876   61.315   22.511   39.004   18.278 22.31191 28.99710 
1 1 1   -7   22   38 o  165.858   10.624   75.379   8.9603   72.931   10.887   80.518   15.775  162.564   12.393  169.152   17.259 -6.588348 21.24787 
1 1 1   -7   22   39 o   75.420   16.252   16.858   7.1345   15.948   11.506   17.426   9.0940   74.306   24.603   76.534   21.240 -2.227264 32.50332 
1 1 1   -7   22   40 o  122.706   12.238   40.255   7.7622   51.441   13.596   34.845   9.4546  134.112   18.761  111.299   15.720 22.81274 24.47651 
1 1 1   -7   22   41 o  183.642   7.9460   93.737   7.8190   88.667   11.641   97.904   10.554  178.780   12.050  188.503   10.361 -9.722931 15.89209 
1 1 1   -7   22   42 o   48.819   14.574   1.4928   6.5633   4.5873   10.068  -0.7940   8.6551   53.812   21.944   43.826   19.184 9.986076 29.14707 
1 1 1   -7   22   43 o  187.065   7.7949   96.502   7.8203  101.414   11.920   92.790   10.362  190.985   11.551  183.146   10.470 7.838974 15.58972 
1 1 1   -7   22   44 o  342.055   6.5656  322.794   12.110  300.628   17.193  344.618   17.060  330.129   9.6376  353.980   8.9187 -23.85110 13.13113 
1 1 1   -7   22   45 o  168.450   8.5037   80.721   7.5958   69.069   11.295   90.339   10.263  156.488   13.358  180.412   10.527 -23.92381 17.00734 
1 1 1   -7   22   46 o   62.073   15.226   11.005   6.4916   6.2032   9.6020   15.047   8.8100   54.419   21.698   69.727   21.365 -15.30827 30.45103 
1 1 1   -7   22   47 o   54.690   13.531   3.3649   6.5250 -12.8149   9.5548   17.505   8.9322   34.887   16.841   74.494   21.184 -39.60724 27.06231 
1 1 1   -7   22   48 o  106.031   12.502   33.981   6.8640   30.415   10.317   36.812   9.1939   99.085   19.960  112.977   15.060 -13.89193 25.00385 
1 1 1   -7   22   49 o  131.891   9.8790   48.874   6.9584   57.357   10.902   43.044   9.0388  141.161   14.293  122.621   13.641 18.53930 19.75792 
1 1 1   -7   22   50 o  113.424   11.598   37.765   7.0371   40.065   10.852   36.096   9.2440  115.805   17.343  111.044   15.406 4.760849 23.19685 
1 1 1   -7   22   51 o   52.794   15.002   4.3834   6.8462   12.702   10.462  -1.8471   9.0540   63.636   23.296   41.952   18.910 21.68350 30.00489 
1 1 1   -7   22   52 f  117.408   11.889   41.239   7.4788   48.954   11.419   35.444   9.8968  127.001   16.639  107.815   16.987 19.18581 23.77898 
1 1 1   -7   22   53 o   52.895   15.391   5.9464   7.0036   6.4314   10.877   5.6028   9.1539   54.590   22.593   51.200   20.907 3.389927 30.78167 
1 1 1   -7   22   54 o  125.512   16.953   64.344   10.490   31.036   18.028   81.396   12.899   85.539   30.685  165.484   14.425 -79.94485 33.90612 
1 1 1   -7   22   55 o   50.382   16.142   3.4884   9.1326   0.7000   16.363   4.7500   11.006   51.383   23.973   49.382   21.624 2.001438 32.28433 
1 1 1   -7   22   56 o  122.686   16.990   56.252   10.342   49.505   17.513   59.865   12.815  108.185   29.254  137.188   17.287 -29.00266 33.97997 
1 1 1   -7   22   57 o   40.613   13.301  -2.0590   6.9885  -6.6689   11.081   0.9851   9.0049   39.175   18.705   42.052   18.915 -2.876778 26.60184 
1 1 1   -7   23    1 o  395.590   7.8679  423.238   15.949  426.126   27.339  421.748   19.637  396.446   12.762  394.733   9.2063 1.712677 15.73581 
1 1 1   -7   23    3 o  283.029   7.2838  216.534   11.123  200.620   15.403  233.880   16.080  272.169   10.473  293.889   10.126 -21.71942 14.56763 
1 1 1   -7   23    5 o  425.849   9.9516  491.076   22.900   0.0000   0.0000  491.076   22.900  ?   ?   425.849   9.9516      ?      ? 
1 1 1   -7   23    8 o   91.669   15.824   23.711   7.7536   21.505   10.476   26.383   11.530   87.029   22.205   96.308   22.552 -9.279678 31.64849 
1 1 1   -7   23    9 o  305.373   7.1376  251.589   11.743  226.026   16.096  280.674   17.169  288.840   10.313  321.906   9.8704 -33.06604 14.27524 
1 1 1   -7   23   11 o  321.215   7.1732  279.536   12.450  279.364   17.685  279.706   17.531  321.113   10.192  321.317   10.097 -0.2044678 14.34642 
1 1 1   -7   23   12 o  394.008   7.0833  420.664   15.077  416.089   21.498  425.091   21.150  391.885   10.152  396.130   9.8805 -4.245392 14.16650 
1 1 1   -7   23   14 f  198.140   8.5912  106.615   9.1812  104.850   13.337  108.205   12.658  196.551   12.557  199.729   11.728 -3.177231 17.18239 
1 1 1   -7   23   15 o  103.677   14.654   31.041   8.1687   13.588   11.407   49.411   11.703   72.641   24.505  134.714   16.077 -62.07339 29.30841 
1 1 1   -7   23   16 o  159.403   16.105   76.989   11.157   59.347   21.876   83.191   12.970  143.853   29.142  174.952   13.720 -31.09941 32.20953 
1 1 1   -7   23   17 o  180.720   15.573   87.904   14.860   98.018   24.197   81.779   18.829  188.660   23.735  172.780   20.167 15.88036 31.14624 
1 1 1   -7   23   18 o  373.996   10.879  380.846   21.917  341.216   30.454  423.423   31.566  353.716   15.933  394.276   14.816 -40.56064 21.75718 
1 1 1   -7   23   19 o  447.594   11.260  546.403   27.211  515.766   38.013  578.604   38.970  434.660   16.184  460.529   15.660 -25.86862 22.52006 
1 1 1   -7   23   20 o   93.662   23.940   25.187   12.162   25.187   12.162   0.0000   0.0000   93.662   23.940  ?   ?       ?      ? 
1 1 1   -7   23   21 f  337.754   9.1525  309.151   16.642  295.721   22.406  325.676   24.854  329.678   12.577  345.829   13.300 -16.15186 18.30508 
1 1 1   -7   23   22 o  229.640   10.229  144.375   12.629  149.572   17.210  138.311   18.589  234.264   13.595  225.015   15.288 9.249222 20.45884 
1 1 1   -7   23   23 o  299.342   9.3286  244.248   15.046  244.144   20.518  244.369   22.130  299.373   12.684  299.311   13.683 0.6204224E-01 18.65721 
1 1 1   -7   23   24 o  298.919   9.3277  243.780   15.065  245.270   21.501  242.342   21.114  299.798   13.272  298.039   13.110 1.758881 18.65548 
1 1 1   -7   23   25 o   84.642   18.959   19.528   9.8583   14.286   13.430   25.653   14.517   75.184   26.536   94.099   27.086 -18.91499 37.91851 
1 1 1   -7   23   26 o   75.675   19.064   14.336   9.7958   15.288   13.035   13.101   14.847   76.310   26.192   75.041   27.708 1.269150 38.12855 
1 1 1   -7   23   27 o  206.163   8.8937  114.529   9.7120  123.423   15.577  108.872   12.422  212.453   13.569  199.872   11.501 12.58032 17.78739 
1 1 1   -7   23   28 o  254.367   7.3911  176.634   10.108  155.486   14.232  198.161   14.358  238.852   11.026  269.882   9.8455 -31.02991 14.78228 
1 1 1   -7   23   29 o  296.440   6.9287  238.773   11.070  245.691   16.346  232.913   15.046  300.334   10.072  292.547   9.5175 7.787659 13.85736 
1 1 1   -7   23   30 o   95.848   14.636   26.683   7.3564   26.500   10.561   26.855   10.253   95.438   21.044   96.258   20.348 -0.8196945 29.27278 
1 1 1   -7   23   31 o  213.353   7.6004  124.268   8.7488  125.474   12.760  123.198   12.019  214.270   11.020  212.436   10.470 1.834610 15.20080 
1 1 1   -7   23   32 o   57.754   15.311   6.4987   6.7880   0.8772   9.7550   11.776   9.4515   49.403   20.980   66.106   22.306 -16.70325 30.62192 
1 1 1   -7   23   33 o   71.734   15.166   14.326   6.9822   4.9098   10.232   22.532   9.5516   55.747   22.340   87.722   20.516 -31.97506 30.33136 
1 1 1   -7   23   34 o  195.446   10.810  104.653   11.417   0.0000   0.0000  104.653   11.417  ?   ?   195.446   10.810      ?      ? 
1 1 1   -7   23   35 o   36.096   12.190 -11.9500   6.6370  -9.9151   9.7368 -13.7159   9.0707   38.348   18.081   33.843   16.354 4.504932 24.37965 
1 1 1   -7   23   36 o   84.645   14.775   21.020   6.8067   27.270   10.024   15.673   9.2719   96.248   19.930   73.042   21.819 23.20580 29.55096 
1 1 1   -7   23   37 o   96.856   16.317   29.021   8.2449   31.309   10.327   25.000   13.693  103.419   19.186   90.292   26.398 13.12728 32.63334 
1 1 1   -7   23   38 o  153.770   10.278   63.231   8.3184   79.752   13.815   53.835   10.419  168.600   15.164  138.939   13.877 29.66022 20.55518 
1 1 1   -7   23   39 o  211.025   8.6304  123.530   9.4774  123.919   15.657  123.305   11.906  210.522   13.763  211.527   10.417 -1.005203 17.26086 
1 1 1   -7   23   40 o  227.790   7.2382  143.401   8.8814  131.638   12.636  154.884   12.485  218.320   10.711  237.260   9.7383 -18.94061 14.47645 
1 1 1   -7   23   41 o   54.658   15.209   5.7473   6.7753   1.6159   9.8227   9.4968   9.3577   49.193   20.975   60.123   22.029 -10.93023 30.41791 
1 1 1   -7   23   42 o   79.264   15.078   19.181   6.7920   25.499   9.7792   13.294   9.4405   91.498   20.309   67.031   22.291 24.46727 30.15509 
1 1 1   -7   23   43 o  141.956   9.7183   57.410   7.3800   51.759   10.841   62.291   10.075  134.858   14.877  149.053   12.509 -14.19595 19.43656 
1 1 1   -7   23   44 o  128.221   10.350   46.564   7.1038   49.522   10.937   44.406   9.3431  131.345   15.409  125.097   13.822 6.248497 20.69970 
1 1 1   -7   23   45 o  153.931   9.1769   67.656   7.5549   61.079   11.115   73.305   10.300  146.307   14.059  161.555   11.799 -15.24866 18.35375 
1 1 1   -7   23   46 o   35.355   12.005 -11.0507   6.5185 -11.5663   10.222 -10.6973   8.4625   37.292   17.849   33.419   16.060 3.872868 24.01057 
1 1 1   -7   23   47 o  127.799   10.545   46.337   7.1859   51.946   11.320   42.550   9.3003  133.753   15.662  121.846   14.125 11.90674 21.09060 
1 1 1   -7   23   48 o  104.615   13.261   34.246   7.1065   29.739   11.004   37.470   9.3077   95.918   21.734  113.313   15.201 -17.39523 26.52265 
1 1 1   -7   23   49 o  155.704   9.5849   70.680   7.9041   64.645   12.087   75.188   10.447  148.702   15.043  162.706   11.882 -14.00389 19.16975 
1 1 1   -7   23   50 o  103.793   13.432   33.730   7.2201   35.993   11.488   32.253   9.2824  104.498   21.072  103.088   16.663 1.409416 26.86454 
1 1 1   -7   23   51 o   93.230   15.137   28.292   7.4073   32.811   11.426   25.015   9.7286   99.356   21.874   87.104   20.930 12.25217 30.27414 
1 1 1   -7   23   52 o   48.177   15.912  -3.9349   8.1998   0.0825   17.994  -4.9879   9.2119   57.195   26.124   39.159   18.174 18.03650 31.82439 
1 1 1   -7   23   53 o   50.954   16.604  -0.0760   9.3816   10.300   17.755  -4.0946   11.050   59.984   26.802   41.924   19.606 18.06026 33.20745 
1 1 1   -7   23   54 o   77.159   18.227   25.498   9.8809   13.158   17.854   30.946   11.863   63.140   27.598   91.179   23.817 -28.03850 36.45406 
1 1 1   -7   23   55 o  143.585   10.889   66.012   8.1510   52.911   12.151   76.731   10.991  127.153   17.684  160.016   12.711 -32.86253 21.77851 
1 1 1   -7   24    1 o  377.179   7.8137  387.180   15.148  380.856   25.647  390.569   18.773  374.600   12.670  379.758   9.1481 -5.157288 15.62743 
1 1 1   -7   24    2 o  158.308   11.025   71.682   8.9292   83.866   11.615   54.077   13.962  175.811   12.226  140.804   18.351 35.00755 22.05028 
1 1 1   -7   24    3 o  384.712   13.001  401.802   27.028   0.0000   0.0000  401.802   27.028  ?   ?   384.712   13.001      ?      ? 
1 1 1   -7   24    4 o  441.888   13.691  530.405   32.691   0.0000   0.0000  530.405   32.691  ?   ?   441.888   13.691      ?      ? 
1 1 1   -7   24    5 o  312.623   8.0781  263.552   13.359  257.915   17.131  272.297   21.338  308.494   10.276  316.752   12.467 -8.257507 16.15623 
1 1 1   -7   24    6 f  589.034   16.136  944.594   51.361   0.0000   0.0000  944.594   51.361  ?   ?   589.034   16.136      ?      ? 
1 1 1   -7   24    7 o  278.758   8.1895  206.562   12.018  193.296   15.153  229.054   19.730  267.035   10.501  290.481   12.570 -23.44629 16.37902 
1 1 1   -7   24    8 o  106.237   16.841   30.796   9.2254   25.849   11.619   39.234   15.175   95.184   22.875  117.290   24.722 -22.10622 33.68123 
1 1 1   -7   24    9 o  453.927   13.961  560.135   34.244   0.0000   0.0000  560.135   34.244  ?   ?   453.927   13.961      ?      ? 
1 1 1   -7   24   10 o  754.614   19.554  1557.88   79.734   0.0000   0.0000  1557.88   79.734  ?   ?   754.614   19.554      ?      ? 
1 1 1   -7   24   11 o  367.522   9.2830  367.128   18.433  367.793   25.851  366.441   26.290  367.881   13.004  367.163   13.251 0.7173767 18.56593 
1 1 1   -7   24   12 o  178.117   17.233   86.644   16.587   0.0000   0.0000   86.644   16.587  ?   ?   178.117   17.233      ?      ? 
1 1 1   -7   24   17 o  213.651   10.757  123.029   12.319  112.545   16.214  137.342   18.946  203.087   14.775  224.215   15.638 -21.12772 21.51344 
1 1 1   -7   24   18 o  345.182   9.1902  324.204   17.087  320.496   23.195  328.604   25.267  343.128   12.510  347.236   13.466 -4.107849 18.38032 
1 1 1   -7   24   19 o  490.600   10.337  657.391   27.402  654.955   38.430  659.910   39.082  489.711   14.523  491.490   14.715 -1.778656 20.67489 
1 1 1   -7   24   20 o  221.672   10.089  132.344   11.953  122.049   15.575  147.095   18.643  211.444   13.631  231.900   14.878 -20.45528 20.17810 
1 1 1   -7   24   21 o  273.451   8.3842  204.840   12.179  197.613   18.863  210.007   15.949  269.063   12.974  277.839   10.623 -8.776459 16.76837 
1 1 1   -7   24   22 o   60.051   16.648   6.2657   7.9045   4.0788   11.742   8.0783   10.690   58.163   23.706   61.939   23.381 -3.775520 33.29614 
1 1 1   -7   24   23 o  381.782   9.7551  396.215   20.125   0.0000   0.0000  396.215   20.125  ?   ?   381.782   9.7551      ?      ? 
1 1 1   -7   24   25 o  266.284   7.1165  192.663   10.223  177.822   14.168  208.783   14.767  255.566   10.259  277.002   9.8653 -21.43648 14.23306 
1 1 1   -7   24   26 f  220.786   10.572  132.891   12.612   0.0000   0.0000  132.891   12.612  ?   ?   220.786   10.572      ?      ? 
1 1 1   -7   24   27 o  156.249   9.5704   67.057   8.0722   66.408   11.649   67.657   11.196  155.459   13.868  157.039   13.193 -1.579437 19.14089 
1 1 1   -7   24   28 o  466.862   10.181  594.636   25.684   0.0000   0.0000  594.636   25.684  ?   ?   466.862   10.181      ?      ? 
1 1 1   -7   24   29 o  131.468   10.917   48.039   7.7055   42.388   10.992   53.500   10.805  123.621   16.454  139.315   14.353 -15.69392 21.83489 
1 1 1   -7   24   30 o   84.029   15.054   20.731   7.0683   13.520   9.9849   27.975   10.007   69.794   22.911   98.263   19.535 -28.46860 30.10845 
1 1 1   -7   24   31 o  101.641   13.611   29.905   7.1759   30.163   10.649   29.689   9.7122  101.781   20.075  101.500   18.385 0.2815018 27.22128 
1 1 1   -7   24   32 o  129.758   10.643   46.427   7.3866   56.499   10.943   37.996   10.012  142.788   14.182  116.728   15.873 26.06034 21.28570 
1 1 1   -7   24   33 o  205.738   7.7834  116.072   8.6345  118.956   12.695  113.589   11.778  208.025   11.294  203.452   10.714 4.572433 15.56685 
1 1 1   -7   24   34 o  108.239   13.163   33.908   7.4684   30.786   10.867   36.702   10.281  102.180   20.396  114.298   16.646 -12.11860 26.32672 
1 1 1   -7   24   35 o   65.068   16.107   11.477   6.9795   10.423   10.568   12.292   9.2950   64.028   23.418   66.108   22.122 -2.080322 32.21452 
1 1 1   -7   24   36 o  115.224   15.537   38.023   9.0777   32.230   11.349   48.311   15.124  103.823   20.952  126.625   22.948 -22.80222 31.07437 
1 1 1   -7   24   37 o  225.471   8.5615  137.085   10.049  155.969   17.044  127.022   12.442  236.395   13.343  214.548   10.732 21.84749 17.12308 
1 1 1   -7   24   38 o  235.036   8.3004  147.960   10.066  171.216   17.481  136.423   12.312  247.637   13.064  222.436   10.243 25.20114 16.60083 
1 1 1   -7   24   39 o  135.822   10.591   52.157   7.7490   53.668   11.479   50.892   10.503  137.419   15.459  134.224   14.481 3.194946 21.18201 
1 1 1   -7   24   40 o  146.475   9.7446   60.769   7.6632   54.579   11.026   66.553   10.658  138.806   14.700  154.144   12.796 -15.33774 19.48913 
1 1 1   -7   24   41 o   91.857   14.329   26.656   7.2338   15.249   10.600   36.599   9.8965   70.842   23.623  112.871   16.226 -42.02939 28.65886 
1 1 1   -7   24   42 o   52.203   15.073   4.6609   6.7592   3.0176   9.8194   6.1408   9.3182   50.439   21.213   53.968   21.420 -3.529026 30.14660 
1 1 1   -7   24   43 o   49.143   14.605   2.7816   6.6519  -0.5571   10.190   5.2608   8.7810   46.751   20.628   51.534   20.680 -4.782463 29.20911 
1 1 1   -7   24   44 o   92.263   14.328   26.598   6.9290   26.213   10.241   26.923   9.4097   91.067   21.207   93.458   19.273 -2.390862 28.65605 
1 1 1   -7   24   45 o  104.808   13.470   34.855   7.1951   22.811   10.562   45.284   9.8283   84.042   22.716  125.573   14.484 -41.53177 26.94068 
1 1 1   -7   24   46 o   93.936   14.186   27.614   6.9910   33.357   10.297   22.703   9.5217  103.786   19.063   84.086   21.014 19.69999 28.37291 
1 1 1   -7   24   47 o  168.480   8.8766   81.541   7.9671   76.829   12.093   85.155   10.590  163.294   13.705  173.665   11.285 -10.37126 17.75329 
1 1 1   -7   24   48 o  117.647   11.937   40.986   7.4944   50.942   11.514   33.666   9.8720  130.157   16.371  105.136   17.377 25.02067 23.87343 
1 1 1   -7   24   49 o   60.266   15.662   9.6188   7.1447   18.545   10.693   2.4197   9.6029   73.106   23.694   47.426   20.487 25.68033 31.32330 
1 1 1   -7   24   50 o   56.355   16.751   6.5715   8.6863  -8.6779   18.514   10.876   9.8361   52.597   24.839   60.114   22.482 -7.516605 33.50264 
1 1 1   -7   24   51 o   80.223   20.089   24.591   10.287   30.563   18.754   22.020   12.303   83.700   31.094   76.747   25.444 6.952820 40.17751 
1 1 1   -7   24   52 o   61.970   17.713   14.518   10.183  -0.2421   18.302   21.135   12.255   52.500   24.764   71.440   25.334 -18.94041 35.42672 
1 1 1   -7   24   53 o   50.218   15.022   4.3783   7.2247   10.847   10.690  -1.0607   9.8022   57.800   22.942   42.636   19.400 15.16410 30.04480 
1 1 1   -7   24   54 o   69.506   16.172   19.225   7.0202   19.066   10.668   19.346   9.3231   68.297   23.681   70.716   22.030 -2.419769 32.34325 
1 1 1   -7   25    1 f  432.112   8.2652  512.838   18.989  471.171   28.878  544.581   25.205  416.236   12.839  447.988   10.412 -31.75250 16.53045 
1 1 1   -7   25    2 o  214.371   8.9885  128.001   10.140   98.468   14.736  154.557   13.973  190.126   14.343  238.615   10.837 -48.48895 17.97709 
1 1 1   -7   25    3 o   86.233   16.863   21.021   8.0787   22.725   12.205   19.692   10.778   89.230   24.544   83.236   23.131 5.994377 33.72650 
1 1 1   -7   25    4 o  295.680   8.8641  237.076   14.138  227.252   19.312  248.423   20.755  289.123   12.361  302.237   12.708 -13.11465 17.72827 
1 1 1   -7   25    5 o  182.996   10.139   91.162   10.016   89.550   13.813   92.950   14.544  181.316   14.098  184.676   14.574 -3.359619 20.27748 
1 1 1   -7   25    6 o  280.028   8.8605  211.840   13.353  198.221   17.923  228.829   20.018  270.015   12.284  290.040   12.772 -20.02573 17.72106 
1 1 1   -7   25    7 o  267.381   8.5735  188.092   11.981  218.671   20.202  171.504   14.879  283.451   13.190  251.310   10.957 32.14038 17.14707 
1 1 1   -7   25    8 o   74.697   26.312   13.814   13.198   0.0000   0.0000   13.814   13.198  ?   ?    74.697   26.312      ?      ? 
1 1 1   -7   25    9 o   88.882   34.186   16.070   23.123   0.0000   0.0000   16.070   23.123  ?   ?    88.882   34.186      ?      ? 
1 1 1   -7   25   10 o  279.343   17.565  213.761   26.514   0.0000   0.0000  213.761   26.514  ?   ?   279.343   17.565      ?      ? 
1 1 1   -7   25   11 o  309.313   16.382  261.712   27.382   0.0000   0.0000  261.712   27.382  ?   ?   309.313   16.382      ?      ? 
1 1 1   -7   25   12 o  348.790   15.870  332.658   29.912   0.0000   0.0000  332.658   29.912  ?   ?   348.790   15.870      ?      ? 
1 1 1   -7   25   14 o  347.205   7.1346  327.749   13.371  310.819   18.952  344.524   18.866  338.218   10.370  356.191   9.8018 -17.97284 14.26924 
1 1 1   -7   25   15 o  212.464   11.601  122.886   13.319   0.0000   0.0000  122.886   13.319  ?   ?   212.464   11.601      ?      ? 
1 1 1   -7   25   16 o   49.924   15.124  -1.2890   7.5593   4.1154   10.321  -7.5428   11.103   55.439   22.359   44.408   20.372 11.03165 30.24804 
1 1 1   -7   25   17 o  218.793   8.0666  130.408   9.5320  130.225   13.699  130.579   13.272  218.614   11.596  218.971   11.216 -0.3567810 16.13328 
1 1 1   -7   25   18 o  243.589   7.6914  161.043   10.106  174.757   14.723  148.825   13.897  253.386   10.753  233.792   11.000 19.59438 15.38284 
1 1 1   -7   25   19 o  218.317   7.9605  129.883   9.3848  128.010   13.462  131.654   13.090  216.748   11.494  219.886   11.017 -3.138763 15.92104 
1 1 1   -7   25   20 o  102.859   14.730   30.912   8.0044   40.834   11.126   20.269   11.524  121.779   16.908   83.938   24.125 37.84142 29.45997 
1 1 1   -7   25   21 o  144.483   11.000   57.442   8.5718   53.347   12.107   61.557   12.137  139.228   16.093  149.738   15.001 -10.50949 21.99994 
1 1 1   -7   25   22 o  197.077   8.3562  105.840   8.8734   95.140   12.261  117.607   12.858  186.580   12.161  207.575   11.463 -20.99510 16.71240 
1 1 1   -7   25   23 o  174.565   9.1220   83.387   8.5989   87.320   12.415   79.761   11.921  178.522   12.870  170.608   12.931 7.913757 18.24399 
1 1 1   -7   25   24 o   54.301   15.731   2.6157   7.5055  -1.5477   10.350   7.2342   10.901   48.046   21.006   60.556   23.421 -12.50959 31.46119 
1 1 1   -7   25   25 o  219.893   10.677  132.058   12.687   0.0000   0.0000  132.058   12.687  ?   ?   219.893   10.677      ?      ? 
1 1 1   -7   25   26 f  135.621   11.018   51.183   8.0127   44.443   11.407   57.748   11.257  126.522   16.685  144.720   14.395 -18.19743 22.03677 
1 1 1   -7   25   27 f  113.565   13.376   37.452   7.8122   28.423   11.239   45.893   10.867   98.423   21.714  128.706   15.625 -30.28291 26.75142 
1 1 1   -7   25   28 o  195.258   8.0642  104.487   8.5057  105.711   12.217  103.336   11.849  196.340   11.515  194.176   11.293 2.163193 16.12849 
1 1 1   -7   25   29 o  106.740   13.820   32.784   7.7563   38.490   11.158   27.448   10.790  117.091   17.635   96.389   21.284 20.70174 27.64038 
1 1 1   -7   25   30 o  173.028   8.9881   82.664   8.4024   83.448   11.815   81.861   11.952  173.898   12.573  172.157   12.848 1.741043 17.97625 
1 1 1   -7   25   31 o  242.729   10.212  161.527   13.394   0.0000   0.0000  161.527   13.394  ?   ?   242.729   10.212      ?      ? 
1 1 1   -7   25   32 o  185.398   8.2821   95.589   8.2201   83.946   11.904  106.201   11.364  174.204   12.646  196.591   10.698 -22.38751 16.56415 
1 1 1   -7   25   33 o  368.216   9.5452  371.751   18.992   0.0000   0.0000  371.751   18.992  ?   ?   368.216   9.5452      ?      ? 
1 1 1   -7   25   34 o   84.685   14.430   20.567   7.4376   35.536   10.793   7.0306   10.264  111.510   17.912   57.860   22.630 53.64983 28.86071 
1 1 1   -7   25   35 o  164.714   11.012   74.108   9.3647   68.484   11.472   85.338   16.212  156.527   13.564  172.901   17.352 -16.37404 22.02410 
1 1 1   -7   25   36 o  156.184   9.7928   68.252   8.2076   79.754   11.954   57.994   11.289  168.904   13.098  143.464   14.562 25.43961 19.58565 
1 1 1   -7   25   37 o  184.580   9.6978   96.572   9.2755   93.153   15.288   98.564   11.669  180.871   15.642  188.290   11.469 -7.419296 19.39553 
1 1 1   -7   25   38 f   46.222   14.367  -3.0355   7.2130   4.5385   10.550  -9.6842   9.8842   54.168   22.318   38.275   18.098 15.89274 28.73440 
1 1 1   -7   25   39 f   74.875   16.228   17.518   7.3937   12.583   10.848   21.800   10.104   66.281   23.800   83.468   22.066 -17.18690 32.45569 
1 1 1   -7   25   40 o   86.003   15.454   23.150   7.2510   27.737   10.536   19.023   9.9942   94.389   21.178   77.617   22.513 16.77198 30.90863 
1 1 1   -7   25   41 o   60.464   15.354   8.8526   6.8088   16.800   10.090   2.2074   9.2262   72.900   22.952   48.027   20.399 24.87337 30.70701 
1 1 1   -7   25   42 o   67.747   16.245   14.217   7.1034   13.123   10.216   15.241   9.8832   65.859   23.154   69.635   22.791 -3.775764 32.48915 
1 1 1   -7   25   43 o  229.770   7.3436  147.404   9.1068  141.974   13.025  152.598   12.738  225.409   10.693  234.131   10.068 -8.721939 14.68721 
1 1 1   -7   25   44 o   71.692   14.696   14.543   6.8676   28.041   10.323   3.8267   9.1984   93.818   20.898   49.566   20.666 44.25177 29.39111 
1 1 1   -7   25   45 o   82.431   15.599   22.124   7.1787   27.177   10.414   17.549   9.9095   91.715   21.403   73.147   22.700 18.56734 31.19890 
1 1 1   -7   25   46 o   87.991   15.502   25.863   7.3366   24.863   10.850   26.705   9.9582   85.551   22.982   90.430   20.811 -4.878479 31.00391 
1 1 1   -7   25   47 o   78.617   15.379   21.348   7.3818   11.132   10.733   30.518   10.168   60.453   23.280   96.782   20.101 -36.32946 30.75708 
1 1 1   -7   25   48 o  152.207   17.072   91.403   10.526   49.685   20.299  106.746   12.310  111.081   32.045  193.333   11.783 -82.25179 34.14312 
1 1 1   -7   25   49 o   70.872   17.866   16.978   10.355  -3.0158   17.205   28.333   12.966   53.601   24.863   88.143   25.664 -34.54171 35.73259 
1 1 1   -7   25   50 o   45.076   15.061  -6.4796   10.203 -26.1036   17.893   2.9752   12.420   40.989   20.407   49.164   22.155 -8.175030 30.12141 
1 1 1   -7   25   51 o   58.134   14.417   4.5095   7.3576   24.776   10.889 -12.5156   9.9806   81.739   23.439   34.529   16.795 47.21018 28.83495 
1 1 1   -7   25   52 o   63.349   15.803   14.836   7.3481   6.7488   10.588   22.351   10.206   50.869   21.735   75.830   22.946 -24.96141 31.60593 
1 1 1   -7   26    1 o  628.097   10.341  1060.50   32.512  1124.55   58.981  1032.55   38.967  640.234   17.049  615.961   11.707 24.27350 20.68115 
1 1 1   -7   26    2 o  379.472   8.0060  390.386   16.417   0.0000   0.0000  390.386   16.417  ?   ?   379.472   8.0060      ?      ? 
1 1 1   -7   26    3 o  473.211   10.657  608.698   27.250   0.0000   0.0000  608.698   27.250  ?   ?   473.211   10.657      ?      ? 
1 1 1   -7   26    4 o  179.172   18.949   88.468   17.390  124.099   27.017   63.266   22.722  211.124   23.682  147.221   29.588 63.90318 37.89848 
1 1 1   -7   26    5 o  271.989   14.143  211.730   19.948  169.234   30.827  242.342   26.164  246.656   23.128  297.323   16.285 -50.66631 28.28645 
1 1 1   -7   26    6 o  248.398   13.778  167.004   18.304  194.955   28.465  147.297   23.901  265.685   19.827  231.111   19.138 34.57462 27.55685 
1 1 1   -7   26    7 o  125.426   22.526   43.604   16.463   74.865   24.998   19.664   21.876  160.082   30.001   90.769   33.610 69.31306 45.05249 
1 1 1   -7   26    8 o  283.619   17.352  221.261   26.594   0.0000   0.0000  221.261   26.594  ?   ?   283.619   17.352      ?      ? 
1 1 1   -7   26   10 o  139.836   11.239   53.494   8.3672   41.957   11.433   66.798   12.278  123.476   17.136  156.196   14.546 -32.71981 22.47736 
1 1 1   -7   26   13 o  113.828   13.619   36.464   8.1663   39.131   11.434   33.687   11.667  119.145   17.760  108.510   20.653 10.63560 27.23862 
1 1 1   -7   26   14 o  211.075   8.3221  121.384   9.4794  130.273   13.589  112.959   13.230  218.639   11.502  203.511   12.030 15.12862 16.64412 
1 1 1   -7   26   15 o   79.805   16.955   18.069   7.9236   20.094   11.305   16.113   11.109   83.538   23.859   76.072   24.098 7.466644 33.91099 
1 1 1   -7   26   16 o  100.944   15.315   29.389   8.2841   36.325   11.595   22.157   11.840  114.520   18.737   87.368   24.231 27.15142 30.63059 
1 1 1   -7   26   17 o  116.306   13.328   37.774   8.1757   33.858   11.096   42.424   12.092  108.837   19.588  123.775   18.079 -14.93759 26.65586 
1 1 1   -7   26   18 o  166.707   10.039   76.494   8.9917   86.640   12.810   66.642   12.624  177.787   13.334  155.627   15.012 22.16026 20.07863 
1 1 1   -7   26   19 o  185.238   8.9997   93.830   8.9814   84.155   12.425  104.415   12.997  175.176   13.126  195.299   12.316 -20.12303 17.99944 
1 1 1   -7   26   20 o  110.407   14.528   34.765   8.4392   41.436   12.196   28.637   11.690  121.936   18.509   98.879   22.398 23.05682 29.05616 
1 1 1   -7   26   22 o  180.350   8.9347   89.414   8.6889   83.385   12.349   95.325   12.228  174.210   13.118  186.491   12.134 -12.28012 17.86942 
1 1 1   -7   26   23 o  110.531   13.107   34.614   7.6267   38.833   10.972   30.670   10.609  118.116   17.191  102.947   19.789 15.16920 26.21340 
1 1 1   -7   26   24 o   62.267   14.251   2.9342   7.5260   23.028   10.743 -16.4315   10.546   88.290   22.463   36.243   17.543 52.04655 28.50175 
1 1 1   -7   26   25 o  147.782   10.179   60.477   8.1224   57.907   11.501   63.034   11.472  144.568   14.723  150.997   14.060 -6.429779 20.35802 
1 1 1   -7   26   26 o   92.787   15.260   25.484   7.5079   23.544   10.391   27.604   10.861   88.996   21.783   96.577   21.376 -7.581268 30.51932 
1 1 1   -7   26   27 o  177.580   12.546   87.025   12.039   0.0000   0.0000   87.025   12.039  ?   ?   177.580   12.546      ?      ? 
1 1 1   -7   26   28 o  192.319   11.658  101.855   12.115   0.0000   0.0000  101.855   12.115  ?   ?   192.319   11.658      ?      ? 
1 1 1   -7   26   29 o  168.372   9.2165   78.698   8.3477   69.986   11.762   87.539   11.849  158.742   13.712  178.003   12.319 -19.26167 18.43309 
1 1 1   -7   26   30 o   74.873   16.543   16.621   7.4284   16.530   10.531   16.711   10.479   74.709   23.437   75.037   23.353 -0.3288345 33.08538 
1 1 1   -7   26   31 o  102.527   13.938   30.870   7.5506   26.792   10.596   35.078   10.762   94.234   21.308  110.820   17.972 -16.58635 27.87541 
1 1 1   -7   26   32 o  209.608   7.9701  121.851   8.9839  108.299   12.696  135.442   12.714  197.629   11.889  221.587   10.618 -23.95743 15.94021 
1 1 1   -7   26   33 o   78.985   15.003   17.681   7.5174   32.231   10.900   4.4824   10.381  103.749   20.169   54.222   22.217 49.52619 30.00602 
1 1 1   -7   26   34 o   57.003   16.382   5.1169   8.2589   10.289   10.518  -3.1982   13.337   62.741   23.291   51.264   23.043 11.47668 32.76369 
1 1 1   -7   26   35 o  131.802   11.567   49.713   8.2361   50.845   11.794   48.636   11.507  133.256   16.379  130.348   16.337 2.908112 23.13324 
1 1 1   -7   26   36 o  129.540   12.079   47.534   8.3018   52.995   13.299   44.046   10.627  134.955   18.236  124.125   15.844 10.82966 24.15733 
1 1 1   -7   26   37 o   88.218   14.641   23.883   7.5754   10.694   10.618   37.556   10.811   62.881   23.389  113.555   17.619 -50.67435 29.28293 
1 1 1   -7   26   38 o   60.249   15.948   9.3797   6.9967   12.215   10.523   7.1334   9.3671   65.001   23.430   55.497   21.643 9.504105 31.89641 
1 1 1   -7   26   39 o   66.099   14.220   8.4447   7.1392   27.196   10.671  -6.7507   9.6057   92.719   21.685   39.479   18.402 53.23939 28.44011 
1 1 1   -7   26   40 o   73.107   16.280   17.124   7.2193   15.226   10.602   18.765   9.8578   69.707   23.624   76.508   22.407 -6.800926 32.56033 
1 1 1   -7   26   41 o   96.031   14.385   29.295   7.3171   22.723   10.994   34.522   9.8040   83.504   23.417  108.558   16.713 -25.05361 28.76937 
1 1 1   -7   26   42 o  133.410   10.929   51.849   7.8591   53.872   11.609   50.136   10.678  135.549   15.849  131.270   15.054 4.279633 21.85878 
1 1 1   -7   26   43 o  133.458   11.021   52.181   7.9430   54.083   11.474   50.430   11.007  135.754   15.641  131.163   15.530 4.590729 22.04145 
1 1 1   -7   26   44 o  129.528   11.356   50.203   7.9164   47.178   11.433   52.989   10.972  125.101   16.913  133.956   15.158 -8.855087 22.71141 
1 1 1   -7   26   45 o   42.663   13.566  -6.5389   7.2781 -19.6639   10.364   6.2340   10.224   32.314   15.992   53.013   21.919 -20.69866 27.13240 
1 1 1   -7   26   46 o   90.460   15.539   29.264   11.640 -20.5090   19.926   55.045   14.341   48.756   23.719  132.163   20.081 -83.40762 31.07735 
1 1 1   -7   26   47 o   53.793   16.068  -6.3370   10.868 -55.4505   19.020   17.475   13.243   36.793   18.660   70.794   26.163 -34.00105 32.13559 
1 1 1   -7   26   48 o   56.684   17.989   3.8512   10.740   21.538   18.946  -4.5225   13.036   68.900   29.247   44.468   20.952 24.43156 35.97777 
1 1 1   -7   26   49 o   64.331   16.538   14.511   7.6881   20.660   11.172   8.9794   10.596   73.501   24.240   55.161   22.505 18.33984 33.07634 
1 1 1   -7   26   50 o   73.601   16.800   21.324   7.6452   19.850   11.358   22.546   10.338   70.458   24.434   76.744   23.064 -6.285072 33.60038 
1 1 1   -7   27    1 o  188.390   12.531   96.885   12.756   0.0000   0.0000   96.885   12.756  ?   ?   188.390   12.531      ?      ? 
1 1 1   -7   27    3 f  144.650   11.123   57.234   8.6753   53.941   11.809   61.094   12.786  140.169   15.591  149.131   15.867 -8.962143 22.24504 
1 1 1   -7   27    4 o  367.605   7.7845  367.016   14.760  371.622   24.973  364.543   18.298  368.937   12.527  366.274   9.2453 2.662720 15.56900 
1 1 1   -7   27    5 o  184.814   8.7634   92.413   8.7085   84.993   11.631  101.880   13.137  176.476   12.197  193.152   12.587 -16.67555 17.52688 
1 1 1   -7   27    6 o  111.293   13.806   35.232   8.0223   41.347   11.273   28.957   11.419  122.491   17.031  100.096   21.734 22.39497 27.61264 
1 1 1   -7   27    7 o  154.987   9.6575   65.739   8.0870   64.216   11.357   67.306   11.518  153.156   13.723  156.817   13.592 -3.661102 19.31501 
1 1 1   -7   27    8 o  269.372   10.775  197.693   15.684  197.693   15.684   0.0000   0.0000  269.372   10.775  ?   ?       ?      ? 
1 1 1   -7   27    9 o  181.020   9.5868   90.463   9.2226  110.352   13.151   71.218   12.937  201.004   12.108  161.036   14.867 39.96837 19.17365 
1 1 1   -7   27   10 o  137.104   11.496   52.072   8.4730   56.392   11.776   47.435   12.200  143.198   15.219  131.009   17.234 12.18854 22.99158 
1 1 1   -7   27   11 o   66.171   16.008   8.4869   7.9044  -2.9830   11.052   20.496   11.309   48.326   21.395   84.015   23.818 -35.68899 32.01593 
1 1 1   -7   27   12 o  145.503   11.013   58.523   8.6335   61.956   12.025   54.872   12.403  150.053   14.830  140.952   16.284 9.101044 22.02536 
1 1 1   -7   27   14 o   47.864   14.806  -2.0740   7.4075   1.6451   9.9263  -6.7481   11.128   50.876   21.359   44.852   20.509 6.023853 29.61124 
1 1 1   -7   27   15 o  189.489   8.8199   98.513   8.9687  113.865   12.884   84.078   12.493  203.992   11.688  174.986   13.212 29.00665 17.63983 
1 1 1   -7   27   17 o   60.084   15.796   4.9942   7.6344  -4.6332   10.479   15.885   11.145   45.112   20.338   75.056   24.176 -29.94400 31.59258 
1 1 1   -7   27   18 o  104.161   14.449   31.945   7.8851   22.449   11.373   40.736   10.942   87.230   23.569  121.093   16.722 -33.86221 28.89875 
1 1 1   -7   27   19 o   82.998   23.503   20.254   11.019   0.0000   0.0000   20.254   11.019  ?   ?    82.998   23.503      ?      ? 
1 1 1   -7   27   20 f   78.842   16.997   18.021   7.9040   16.397   10.921   19.807   11.454   75.605   23.887   82.079   24.186 -6.473938 33.99331 
1 1 1   -7   27   21 o   79.833   16.282   18.670   7.5741   23.619   10.707   13.713   10.715   89.222   22.277   70.444   23.751 18.77800 32.56305 
1 1 1   -7   27   22 o   93.327   15.285   25.840   7.5572   25.932   10.673   25.748   10.702   93.513   21.562   93.142   21.671 0.3701553 30.57083 
1 1 1   -7   27   23 o  100.283   14.477   30.153   7.8558   46.531   11.219   14.399   11.003  128.997   16.095   71.568   24.068 57.42989 28.95402 
1 1 1   -7   27   26 o   91.317   15.374   25.071   7.5048   28.302   10.595   21.817   10.632   97.587   20.732   85.047   22.708 12.54025 30.74824 
1 1 1   -7   27   27 o  139.279   10.665   54.302   7.9638   45.750   11.003   63.712   11.542  127.469   15.973  151.089   14.137 -23.61955 21.33080 
1 1 1   -7   27   28 o  118.481   13.109   41.102   7.9689   30.281   11.101   52.606   11.446  100.340   21.142  136.622   15.504 -36.28251 26.21707 
1 1 1   -7   27   29 o   84.413   15.356   21.823   7.4085   12.854   10.558   30.523   10.399   67.570   23.550  101.257   19.714 -33.68669 30.71238 
1 1 1   -7   27   30 o  126.089   11.810   45.304   8.0374   44.953   11.616   45.626   11.133  125.449   17.136  126.729   16.257 -1.279663 23.62027 
1 1 1   -7   27   31 o   87.035   15.769   23.103   7.8444   33.888   11.393   13.383   10.817  105.878   20.655   68.191   23.833 37.68672 31.53828 
1 1 1   -7   27   32 o  106.531   14.111   34.631   7.8081   44.114   10.920   24.712   11.169  124.174   16.274   88.888   23.057 35.28562 28.22182 
1 1 1   -7   27   33 o   91.251   16.290   27.934   8.9306   37.776   11.317   11.689   14.540  113.940   18.381   68.562   26.901 45.37878 32.58077 
1 1 1   -7   27   34 o  121.385   12.495   43.022   8.1529   45.709   11.252   40.052   11.830  125.927   16.536  116.843   18.736 9.084358 24.98954 
1 1 1   -7   27   35 o   88.899   14.527   20.109   8.0944   46.982   13.091   3.4732   10.299  125.907   19.241   51.891   21.769 74.01614 29.05363 
1 1 1   -7   27   36 o  151.734   10.216   66.678   8.2407   55.869   11.971   76.415   11.361  138.982   15.940  164.487   12.782 -25.50464 20.43173 
1 1 1   -7   27   37 o  111.773   13.192   37.643   7.7758   34.919   11.005   40.358   10.988  106.437   19.866  117.109   17.363 -10.67244 26.38436 
1 1 1   -7   27   38 o  179.587   8.8735   91.374   8.5881   84.286   12.175   98.394   12.116  172.298   13.077  186.876   11.998 -14.57834 17.74710 
1 1 1   -7   27   39 o   58.775   22.873   8.7710   10.445   8.7710   10.445   0.0000   0.0000   58.775   22.873  ?   ?       ?      ? 
1 1 1   -7   27   40 o  152.890   10.277   68.321   8.2894   51.830   11.602   85.520   11.848  132.613   16.190  173.167   12.662 -40.55392 20.55330 
1 1 1   -7   27   41 o   89.958   15.710   26.617   7.6310   29.939   10.732   23.218   10.853   96.494   21.164   83.421   23.222 13.07291 31.41916 
1 1 1   -7   27   42 o   54.851   15.950   6.8339   7.5835   7.5900   11.140   6.1810   10.352   56.238   23.025   53.464   22.077 2.773621 31.89914 
1 1 1   -7   27   43 o  102.966   14.683   35.140   7.9492   28.974   11.752   40.341   10.793   91.199   23.648  114.732   17.409 -23.53291 29.36509 
1 1 1   -7   27   44 o   56.221   17.887   1.1521   11.605 -12.6306   20.650   7.5135   14.029   53.170   25.428   59.272   25.164 -6.101875 35.77452 
1 1 1   -7   27   45 o  117.775   17.009   58.587   12.421   11.207   20.347   86.734   15.683   66.893   29.344  168.656   17.208 -101.7630 34.01747 
1 1 1   -7   27   46 o  111.170   16.563   44.854   9.6100   36.220   12.716   56.351   14.675   97.315   24.265  125.025   22.551 -27.70979 33.12585 
1 1 1   -7   27   47 o   52.904   15.880   6.7471   7.9127   8.8260   11.459   4.8524   10.939   55.469   23.092   50.339   21.806 5.129459 31.76078 
1 1 1   -7   27   48 o   76.895   14.524   19.534   7.7502   39.928   11.401   2.0113   10.567  107.440   20.383   46.351   20.696 61.08875 29.04809 
1 1 1   -7   27   49 o   76.920   16.133   23.862   7.6921   15.607   11.106   31.473   10.664   62.203   23.747   91.637   21.844 -29.43358 32.26619 
1 1 1   -7   28    1 o  188.634   8.5895   96.794   8.7554   0.0000   0.0000   96.794   8.7554  ?   ?   188.634   8.5895      ?      ? 
1 1 1   -7   28    2 o  118.604   12.736   38.577   8.1627   0.0000   0.0000   38.577   8.1627  ?   ?   118.604   12.736      ?      ? 
1 1 1   -7   28    3 o   78.514   15.593   17.190   6.6277   20.703   11.342   15.368   8.1672   84.127   23.853   72.901   20.089 11.22613 31.18565 
1 1 1   -7   28    4 o  282.969   7.3172  215.629   10.792  229.279   18.029  208.006   13.473  289.520   11.524  276.418   9.0201 13.10223 14.63440 
1 1 1   -7   28    5 f  294.609   7.9812  237.217   12.509  237.838   19.480  236.782   16.319  294.632   12.235  294.586   10.252 0.4571533E-01 15.96245 
1 1 1   -7   28    6 o  249.523   7.6728  169.580   10.328  178.956   15.158  161.456   14.109  255.912   10.961  243.133   10.739 12.77971 15.34563 
1 1 1   -7   28    7 o   50.126   14.592  -1.2178   7.2113   8.8911   9.9045 -12.6222   10.520   61.555   22.647   38.696   18.406 22.85850 29.18365 
1 1 1   -7   28    8 o   85.740   16.290   21.822   7.7828   25.133   10.519   17.816   11.568   92.685   21.431   78.795   24.539 13.89008 32.57954 
1 1 1   -7   28    9 o  178.411   13.308   87.486   12.830   0.0000   0.0000   87.486   12.830  ?   ?   178.411   13.308      ?      ? 
1 1 1   -7   28   10 o  164.554   9.5322   74.216   8.4440   71.648   11.380   77.362   12.595  161.491   13.041  167.617   13.906 -6.126358 19.06436 
1 1 1   -7   28   11 o  141.805   10.668   54.482   8.0811   44.874   10.670   67.406   12.376  127.342   15.506  156.268   14.656 -28.92662 21.33622 
1 1 1   -7   28   13 o  107.111   14.157   33.037   7.9417   25.202   11.067   41.356   11.403   92.417   22.395  121.804   17.325 -29.38729 28.31458 
1 1 1   -7   28   14 o  131.302   11.572   47.652   8.1702   41.556   11.127   54.785   12.036  122.129   16.860  140.474   15.856 -18.34543 23.14443 
1 1 1   -7   28   15 o  112.479   13.637   36.101   7.9232   25.756   10.787   48.221   11.676   93.390   21.776  131.569   16.423 -38.17919 27.27467 
1 1 1   -7   28   16 o   63.004   16.506   8.8434   7.7724   13.975   10.678   3.0605   11.335   70.818   23.710   55.190   22.970 15.62835 33.01234 
1 1 1   -7   28   17 o  166.863   9.5915   76.889   8.6370   71.606   11.977   82.613   12.467  160.840   13.780  172.887   13.345 -12.04782 19.18297 
1 1 1   -7   28   18 o  206.559   8.2418  117.538   9.1828  114.035   13.262  120.764   12.727  203.467   12.063  209.651   11.234 -6.183487 16.48366 
1 1 1   -7   28   19 o  101.408   15.123   30.633   8.0335   26.218   11.432   34.940   11.292   93.468   22.830  109.349   19.841 -15.88067 30.24681 
1 1 1   -7   28   20 o   96.218   14.775   27.637   7.8144   40.350   11.093   15.114   11.010  119.736   17.145   72.699   24.067 47.03631 29.54980 
1 1 1   -7   28   21 o  272.599   10.318  203.907   15.199   0.0000   0.0000  203.907   15.199  ?   ?   272.599   10.318      ?      ? 
1 1 1   -7   28   22 o   63.417   16.887   9.5635   7.8842   8.4998   11.070   10.658   11.231   61.658   23.668   65.177   24.093 -3.519253 33.77338 
1 1 1   -7   28   23 o   65.343   16.494   11.351   7.3708   9.9555   10.277   12.830   10.578   62.743   23.071   67.943   23.578 -5.199905 32.98811 
1 1 1   -7   28   24 o   50.514   14.840  -0.6292   7.4490   9.2943   10.292 -11.5480   10.795   61.480   22.996   39.548   18.763 21.93193 29.67903 
1 1 1   -7   28   25 o  221.662   7.8184  135.760   9.3609  130.816   13.190  140.776   13.287  217.523   11.222  225.801   10.889 -8.278564 15.63678 
1 1 1   -7   28   26 o   99.215   14.729   29.753   7.6471   26.552   10.896   32.860   10.735   93.294   21.975  105.136   19.618 -11.84245 29.45777 
1 1 1   -7   28   27 o   70.554   16.569   14.440   7.3910   11.780   9.9649   17.693   11.019   64.948   22.865   76.159   23.987 -11.21108 33.13871 
1 1 1   -7   28   28 o  233.301   10.653  150.676   13.429   0.0000   0.0000  150.676   13.429  ?   ?   233.301   10.653      ?      ? 
1 1 1   -7   28   29 o  125.512   12.148   45.621   8.1693   39.688   11.657   51.347   11.452  116.844   18.463  134.179   15.795 -17.33477 24.29684 
1 1 1   -7   28   30 o   46.490   14.656  -2.1855   7.4754  -3.7012   10.467  -0.6073   10.680   44.704   20.224   48.276   21.216 -3.572708 29.31112 
1 1 1   -7   28   31 o   74.342   15.928   15.680   7.6725   5.6517   10.445   27.434   11.308   55.241   22.417   93.444   22.634 -38.20335 31.85639 
1 1 1   -7   28   32 o   54.724   15.627   1.1078   8.6227   13.887   11.012 -19.1419   13.862   68.262   24.036   41.187   19.978 27.07457 31.25440 
1 1 1   -7   28   33 o   47.705   15.366  -5.8713   8.3793 -10.5288   10.456   2.4887   14.009   38.727   18.400   56.684   24.615 -17.95702 30.73229 
1 1 1   -7   28   34 o  192.948   9.4674  105.957   9.6023  105.293   15.409  106.379   12.278  191.304   14.906  194.592   11.676 -3.287277 18.93479 
1 1 1   -7   28   35 o  154.570   14.107   68.395   11.782   0.0000   0.0000   68.395   11.782  ?   ?   154.570   14.107      ?      ? 
1 1 1   -7   28   36 f  141.371   10.746   57.755   8.2036   57.489   11.802   58.003   11.412  140.870   15.504  141.872   14.885 -1.002213 21.49281 
1 1 1   -7   28   37 o  137.377   10.992   55.584   8.0612   47.854   11.638   62.712   11.176  127.151   16.939  147.603   14.012 -20.45189 21.98328 
1 1 1   -7   28   38 o   51.097   15.398   3.2882   7.4893   2.0756   10.526   4.5314   10.658   49.530   21.423   52.665   22.122 -3.135307 30.79502 
1 1 1   -7   28   39 o  120.041   12.686   44.097   7.8961   35.643   11.066   52.866   11.270  106.110   20.034  133.973   15.568 -27.86316 25.37156 
1 1 1   -7   28   40 o  151.336   13.873   67.145   11.345   0.0000   0.0000   67.145   11.345  ?   ?   151.336   13.873      ?      ? 
1 1 1   -7   28   41 o   73.041   19.399   19.235   10.135   13.151   20.910   21.103   11.588   68.824   29.980   77.258   24.626 -8.433937 38.79744 
1 1 1   -7   28   42 o  106.170   20.399   44.997   12.516   32.613   20.715   52.117   15.707   88.609   32.727  123.730   24.359 -35.12111 40.79714 
1 1 1   -7   28   43 o   51.073   16.522  -7.6957   11.639 -36.9820   19.282   9.0946   14.600   41.612   20.791   60.534   25.684 -18.92191 33.04398 
1 1 1   -7   28   44 o   76.988   14.298   18.496   8.2143  -3.6163   11.256   43.692   12.015   42.254   19.769  111.723   20.663 -69.46926 28.59659 
1 1 1   -7   28   45 o   64.459   16.462   14.456   7.7994   7.3671   10.982   21.670   11.078   53.436   22.452   75.481   24.081 -22.04559 32.92387 
1 1 1   -7   28   46 o   85.760   16.269   27.665   7.6952   28.185   10.986   27.165   10.782   86.516   23.076   85.004   22.940 1.511841 32.53838 
1 1 1   -7   28   47 o   70.366   17.024   20.613   7.8108   19.410   11.234   21.740   10.867   68.107   24.245   72.624   23.905 -4.516991 34.04758 
1 1 1   -7   29    1 o  142.389   10.713   55.496   8.2424   0.0000   0.0000   55.496   8.2424  ?   ?   142.389   10.713      ?      ? 
1 1 1   -7   29    2 o  311.386   7.7878  263.792   13.104   0.0000   0.0000  263.792   13.104  ?   ?   311.386   7.7878      ?      ? 
1 1 1   -7   29    3 o  180.011   7.7699   89.456   7.3243   85.856   11.790   91.718   9.3465  176.715   12.347  183.308   9.4358 -6.592758 15.53988 
1 1 1   -7   29    4 o   63.033   15.744   10.145   6.4909   10.435   10.915   9.9871   8.0736   65.116   23.802   60.951   20.616 4.164551 31.48896 
1 1 1   -7   29    5 o  127.374   10.793   43.595   7.1579   50.450   12.168   39.966   8.8516  134.436   16.749  120.312   13.615 14.12405 21.58504 
1 1 1   -7   29    6 o  167.383   9.4171   76.886   8.4797   72.997   11.366   81.767   12.735  162.739   12.925  172.028   13.699 -9.288559 18.83414 
1 1 1   -7   29    7 o  199.703   8.4183  109.534   9.0796  106.460   12.593  112.863   13.103  196.805   11.841  202.600   11.969 -5.794830 16.83664 
1 1 1   -7   29    8 f   55.283   15.668   3.2772   7.4372  -2.7740   10.160   10.262   10.916   45.906   20.409   64.661   23.778 -18.75513 31.33533 
1 1 1   -7   29    9 o  172.199   9.4096   81.974   8.7303   90.137   12.475   74.140   12.222  180.755   12.772  163.643   13.821 17.11153 18.81912 
1 1 1   -7   29   10 o  114.345   13.200   37.277   7.8716   29.960   10.758   45.706   11.548  100.967   20.420  127.723   16.732 -26.75602 26.39965 
1 1 1   -7   29   11 o  122.061   12.209   41.548   8.0206   38.126   10.779   45.794   12.006  116.512   17.120  127.610   17.411 -11.09780 24.41808 
1 1 1   -7   29   12 o   72.374   16.964   14.886   7.7577   13.384   11.080   16.331   10.865   69.823   24.137   74.925   23.843 -5.102013 33.92758 
1 1 1   -7   29   13 o   58.925   15.811   7.0997   7.3026   12.163   9.7145   0.5211   11.073   66.440   22.613   51.411   22.104 15.02846 31.62206 
1 1 1   -7   29   14 o   75.004   15.670   16.349   7.2644   23.754   10.058   8.2731   10.503   89.311   21.165   60.697   23.113 28.61386 31.33916 
1 1 1   -7   29   15 o  151.634   10.373   64.117   8.4916   66.025   11.894   62.134   12.128  154.054   14.288  149.214   15.041 4.840500 20.74531 
1 1 1   -7   29   16 o   63.273   16.148   8.7123   7.4353   2.2917   9.9958   16.666   11.125   51.160   21.454   75.385   24.140 -24.22457 32.29568 
1 1 1   -7   29   17 o  156.353   10.098   67.790   8.4113   53.574   11.461   84.384   12.383  138.307   15.336  174.399   13.140 -36.09279 20.19505 
1 1 1   -7   29   18 o   40.604   13.495  -9.9324   7.5727 -11.4382   10.915  -8.5351   10.515   40.014   18.950   41.195   19.218 -1.180862 26.98966 
1 1 1   -7   29   19 o   75.220   17.000   16.887   7.8227   18.155   10.808   15.492   11.337   77.551   23.646   72.889   24.431 4.661308 33.99940 
1 1 1   -7   29   20 o  126.213   11.549   45.036   7.8637   43.522   10.759   46.772   11.522  124.040   16.051  128.385   16.609 -4.345451 23.09761 
1 1 1   -7   29   21 o  115.077   13.898   39.360   8.2845   47.582   11.634   30.903   11.800  129.414   16.637  100.741   22.268 28.67284 27.79653 
1 1 1   -7   29   22 o   55.625   15.991   5.0384   7.5730   6.8742   10.506   3.0529   10.926   57.831   22.810   53.419   22.417 4.412251 31.98173 
1 1 1   -7   29   23 o  120.384   12.629   41.995   7.8788   32.765   10.792   52.531   11.529  104.673   19.805  136.096   15.677 -31.42280 25.25893 
1 1 1   -7   29   24 o   58.099   16.027   7.3535   7.3278   4.9524   10.407   9.7146   10.320   54.623   22.297   61.574   23.028 -6.950802 32.05336 
1 1 1   -7   29   25 o  114.687   13.623   38.923   8.2433   36.063   11.621   41.820   11.695  109.220   20.441  120.153   18.013 -10.93308 27.24521 
1 1 1   -7   29   26 o  129.866   11.375   48.307   7.9645   49.912   11.038   46.565   11.503  132.407   15.428  127.325   16.719 5.081741 22.74946 
1 1 1   -7   29   27 o  103.617   14.164   32.440   7.7130   34.526   10.440   29.932   11.445  109.077   17.712   98.156   22.109 10.92113 28.32879 
1 1 1   -7   29   28 o   55.138   15.214   1.9301   7.5602  -9.8145   10.334   15.454   11.089   39.112   18.498   71.164   24.161 -32.05191 30.42877 
1 1 1   -7   29   29 o   59.236   15.491   4.7172   7.6518  -7.1620   10.338   19.112   11.380   41.062   19.123   77.410   24.375 -36.34783 30.98126 
1 1 1   -7   29   30 o  131.089   11.490   49.826   8.1351   47.861   11.434   51.839   11.577  128.341   16.487  133.837   16.007 -5.496140 22.97961 
1 1 1   -7   29   31 o   94.089   17.352   29.939   8.7201   32.027   10.616   25.608   15.289  101.774   20.017   86.403   28.349 15.37140 34.70397 
1 1 1   -7   29   32 o  100.802   16.894   30.253   8.6651   23.893   10.489   43.919   15.376   86.240   22.332  115.365   25.356 -29.12517 33.78840 
1 1 1   -7   29   33 o   66.760   16.931   13.230   8.0520   7.6689   12.045   17.723   10.827   59.292   24.070   74.228   23.819 -14.93657 33.86277 
1 1 1   -7   29   34 o  193.697   12.612  106.637   13.200   0.0000   0.0000  106.637   13.200  ?   ?   193.697   12.612      ?      ? 
1 1 1   -7   29   35 o   69.026   16.950   15.033   7.7861   11.709   10.594   18.937   11.481   62.833   23.365   75.219   24.562 -12.38678 33.89992 
1 1 1   -7   29   36 o   86.557   15.406   24.906   7.7299   36.059   10.859   13.448   11.006  107.413   19.423   65.701   23.919 41.71156 30.81178 
1 1 1   -7   29   37 o  115.220   13.854   41.361   8.0570   23.335   10.702   64.945   12.241   82.497   23.094  147.943   15.312 -65.44591 27.70867 
1 1 1   -7   29   38 o  136.816   18.741   69.027   11.193   61.329   23.179   71.367   12.781  119.000   34.219  154.632   15.296 -35.63235 37.48178 
1 1 1   -7   29   39 o   57.611   17.628  -4.5690   12.576 -43.6712   20.505   19.011   15.923   41.857   20.990   73.364   28.327 -31.50694 35.25561 
1 1 1   -7   29   40 o  104.475   21.057   40.033   12.203   52.725   20.070   32.590   15.370  115.747   31.325   93.203   28.148 22.54480 42.11406 
1 1 1   -7   29   41 o   56.051   17.946   3.7245   11.641   0.5640   18.396   5.8356   15.034   55.661   25.780   56.442   24.972 -0.7807884 35.89171 
1 1 1   -7   29   42 o   41.596   13.768  -3.7161   7.7408  -4.7544   10.972  -2.6872   10.922   40.850   19.240   42.342   19.698 -1.492012 27.53506 
1 1 1   -7   29   43 o   61.553   16.389   12.146   7.7636   19.919   11.437   5.5047   10.573   72.204   24.537   50.903   21.734 21.30093 32.77811 
1 1 1   -7   29   44 o   56.799   16.314   10.562   7.9797   15.478   11.531   6.0445   11.054   62.945   24.157   50.653   21.931 12.29253 32.62740 
1 1 1   -7   30    1 o  248.517   7.8894  168.381   10.595   0.0000   0.0000  168.381   10.595  ?   ?   248.517   7.8894      ?      ? 
1 1 1   -7   30    2 o  207.217   8.4899  117.233   9.5064   0.0000   0.0000  117.233   9.5064  ?   ?   207.217   8.4899      ?      ? 
1 1 1   -7   30    3 o  157.136   20.194   70.694   17.147   0.0000   0.0000   70.694   17.147  ?   ?   157.136   20.194      ?      ? 
1 1 1   -7   30    4 o   90.623   13.425   22.625   6.2283   31.847   10.365   17.413   7.7922  104.415   19.072   76.831   18.899 27.58417 26.85020 
1 1 1   -7   30    5 o  193.531   8.3449   97.152   8.3272  124.279   14.684   84.293   10.110  211.905   12.824  175.157   10.682 36.74858 16.68983 
1 1 1   -7   30    6 f  168.830   8.8738   78.244   7.5881   80.518   13.354   77.160   9.2214  169.962   14.540  167.698   10.176 2.264175 17.74751 
1 1 1   -7   30    7 o   52.212   15.501   2.4069   7.3850   3.2174   9.9822   1.4269   10.976   52.326   21.649   52.098   22.192 0.2278137 31.00256 
1 1 1   -7   30    8 o   81.675   16.471   20.199   7.6875   22.866   10.554   17.184   11.220   87.090   22.322   76.259   24.225 10.83109 32.94161 
1 1 1   -7   30    9 o  101.894   14.716   30.953   7.9194   35.325   10.795   25.858   11.653  111.557   17.908   92.231   23.357 19.32579 29.43232 
1 1 1   -7   30   10 o   67.394   15.888   10.248   7.6031   0.2974   10.269   22.323   11.312   49.159   21.211   85.629   23.660 -36.46970 31.77618 
1 1 1   -7   30   11 o  131.287   12.572   50.487   8.3811   36.460   11.884   64.367   11.822  110.845   20.598  151.728   14.419 -40.88278 25.14350 
1 1 1   -7   30   12 o   46.186   14.451  -2.6256   7.3117   1.8816   9.7675  -8.3705   11.027   49.881   21.077   42.490   19.775 7.391426 28.90161 
1 1 1   -7   30   13 f  109.659   14.158   37.629   7.8713   50.302   10.669   22.489   11.661  133.860   14.749   85.458   24.170 48.40219 28.31517 
1 1 1   -7   30   14 o  189.658   8.9782   99.712   9.1800  109.615   13.394   90.937   12.607  198.601   12.480  180.715   12.910 17.88644 17.95634 
1 1 1   -7   30   15 o  165.481   9.7254   75.969   8.6611   68.963   11.652   84.617   12.947  157.034   13.732  173.927   13.775 -16.89301 19.45081 
1 1 1   -7   30   16 o  141.726   11.023   57.100   8.3573   59.712   11.238   53.869   12.501  145.884   14.256  137.569   16.816 8.314713 22.04569 
1 1 1   -7   30   17 o   65.693   16.993   11.521   7.8624   11.321   10.856   11.740   11.402   65.094   23.747   66.293   24.313 -1.198883 33.98556 
1 1 1   -7   30   18 o  116.434   13.707   41.196   8.1138   51.014   11.120   30.018   11.865  134.220   15.333   98.649   22.726 35.57072 27.41456 
1 1 1   -7   30   19 o   59.922   15.183   3.7919   7.4923  -8.9490   9.9690   20.330   11.358   39.122   18.399   80.723   24.156 -41.60022 30.36563 
1 1 1   -7   30   20 o  156.185   10.135   69.277   8.4972   76.341   11.851   61.803   12.190  164.897   13.300  147.473   15.296 17.42409 20.27005 
1 1 1   -7   30   21 o   70.814   17.163   14.848   7.9174   13.538   10.936   16.291   11.477   68.323   23.960   73.305   24.581 -4.981857 34.32655 
1 1 1   -7   30   22 o  165.739   9.9767   77.715   8.8928   68.867   12.498   86.788   12.656  155.780   14.847  175.697   13.330 -19.91736 19.95344 
1 1 1   -7   30   24 o  126.349   12.195   46.357   8.3254   45.677   11.728   47.047   11.821  125.383   17.310  127.316   17.182 -1.933167 24.38923 
1 1 1   -7   30   25 o   62.452   15.991   8.8114   7.5433   0.4924   10.235   18.704   11.161   48.183   20.982   76.722   24.137 -28.53878 31.98158 
1 1 1   -7   30   26 o  157.858   10.083   71.685   8.4353   87.721   11.999   56.016   11.861  176.393   12.588  139.323   15.755 37.07013 20.16623 
1 1 1   -7   30   27 o   82.910   16.444   22.271   7.8312   27.304   10.970   17.041   11.183   92.595   22.211   73.226   24.256 19.36854 32.88900 
1 1 1   -7   30   28 o  110.142   13.735   37.007   7.9371   38.580   10.796   35.158   11.709  114.406   17.464  105.879   21.204 8.527206 27.46997 
1 1 1   -7   30   29 o   57.497   16.494   6.8196   8.0475   9.1724   11.330   4.4240   11.433   60.529   23.747   54.465   22.897 6.064102 32.98799 
1 1 1   -7   30   30 o   55.046   16.761   3.3801   8.5302   3.0702   10.334   4.0428   15.111   50.927   21.608   59.164   25.629 -8.236801 33.52254 
1 1 1   -7   30   31 o  322.049   14.454  299.775   25.153   0.0000   0.0000  299.775   25.153  ?   ?   322.049   14.454      ?      ? 
1 1 1   -7   30   32 o  136.543   12.503   55.793   9.0398   70.180   13.171   42.978   12.430  154.559   15.770  118.527   19.407 36.03267 25.00645 
1 1 1   -7   30   33 o  107.537   20.447   36.654   11.448   36.654   11.448   0.0000   0.0000  107.537   20.447  ?   ?       ?      ? 
1 1 1   -7   30   34 o  102.024   14.713   33.710   7.9710   27.501   11.182   40.125   11.366   89.956   22.934  114.092   18.436 -24.13588 29.42529 
1 1 1   -7   30   35 o   56.590   15.708   5.1835   8.0793  -7.4684   11.366   18.104   11.486   41.499   19.557   71.681   24.588 -30.18162 31.41685 
1 1 1   -7   30   36 o   53.310   17.821  -9.3387   13.124   0.4259   20.817 -15.7793   16.907   60.164   27.709   46.457   22.419 13.70726 35.64273 
1 1 1   -7   30   37 o  114.998   21.705   50.474   13.545   55.608   21.412   47.050   17.489  117.450   32.590  112.546   28.675 4.904587 43.40943 
1 1 1   -7   30   38 o   57.556   18.202   3.9295   11.705  -2.5856   18.803   8.0518   14.957   55.434   25.807   59.678   25.675 -4.244427 36.40337 
1 1 1   -7   30   39 o   41.815   13.741  -4.6763   7.5307 -10.9815   10.078   3.2952   11.332   35.201   17.065   48.429   21.541 -13.22807 27.48159 
1 1 1   -7   30   40 o   91.080   15.866   29.498   7.9785   20.094   10.632   41.617   12.071   72.731   23.631  109.429   21.179 -36.69776 31.73240 
1 1 1   -7   30   41 o   57.652   16.205   10.012   7.8559   3.9893   10.973   16.344   11.252   49.373   21.607   65.931   24.157 -16.55787 32.40962 
1 1 1   -7   30   42 o   44.894   14.496   0.6786   7.8264  -0.2055   10.939   1.6056   11.202   43.929   20.178   45.860   20.817 -1.930984 28.99105 
1 1 1   -7   31    1 o  153.232   10.211   64.675   8.4548   0.0000   0.0000   64.675   8.4548  ?   ?   153.232   10.211      ?      ? 
1 1 1   -7   31    2 o   79.862   18.912   19.047   8.0354   0.0000   0.0000   19.047   8.0354  ?   ?    79.862   18.912      ?      ? 
1 1 1   -7   31    3 o   46.077   18.915   2.7399   7.5429   0.0000   0.0000   2.7399   7.5429  ?   ?    46.077   18.915      ?      ? 
1 1 1   -7   31    4 o   37.423   16.817  -2.6799   7.0975   0.0000   0.0000  -2.6799   7.0975  ?   ?    37.423   16.817      ?      ? 
1 1 1   -7   31    5 o   74.209   15.026   16.317   6.2154   18.182   9.9916   15.140   7.9382   77.313   22.534   71.104   19.884 6.209435 30.05278 
1 1 1   -7   31    6 o  137.549   9.7027   51.767   6.9780   57.635   11.659   48.491   8.7102  142.988   15.090  132.109   12.201 10.87827 19.40548 
1 1 1   -7   31    7 o  266.115   7.7718  193.793   10.637  202.320   18.218  189.383   13.102  269.621   12.504  262.608   9.2329 7.012268 15.54365 
1 1 1   -7   31    8 o  127.531   12.554   47.783   8.2499   57.093   11.507   37.934   11.834  142.290   14.965  112.772   20.160 29.51826 25.10777 
1 1 1   -7   31    9 o   94.673   15.618   27.562   7.8262   28.678   10.587   26.217   11.620   97.395   20.752   91.952   23.345 5.442886 31.23510 
1 1 1   -7   31   10 o   54.346   15.744   4.6386   7.3287   4.8182   9.7630   4.4067   11.093   53.462   21.681   55.231   22.833 -1.768494 31.48714 
1 1 1   -7   31   11 o   61.354   16.692   8.9470   7.8312   10.522   10.652   7.0941   11.552   63.320   23.452   59.388   23.759 3.931767 33.38411 
1 1 1   -7   31   12 o  187.896   8.9962   97.301   9.0678   85.863   12.006  112.489   13.835  175.250   12.678  200.543   12.767 -25.29303 17.99249 
1 1 1   -7   31   13 o  183.578   9.3663   94.773   9.2689   99.235   12.897   90.007   13.330  188.346   12.672  178.810   13.796 9.536087 18.73267 
1 1 1   -7   31   14 o   49.359   15.092   0.1483   7.3474  -2.6649   9.6837   3.9652   11.279   43.979   19.712   54.740   22.860 -10.76045 30.18457 
1 1 1   -7   31   15 o   86.026   16.418   23.470   8.0387   29.431   11.043   16.751   11.724   97.884   21.469   74.167   24.845 23.71720 32.83535 
1 1 1   -7   31   16 o   73.954   14.935   16.613   7.5905   28.116   9.9085   0.2749   11.809   96.441   19.680   51.467   22.471 44.97462 29.87046 
1 1 1   -7   31   17 o   63.983   16.499   11.107   7.6335   14.829   10.103   6.1553   11.654   70.041   23.048   57.925   23.614 12.11557 32.99712 
1 1 1   -7   31   18 o  213.104   8.2685  126.855   9.4971  138.245   13.526  115.781   13.337  222.809   11.235  203.400   12.135 19.40866 16.53695 
1 1 1   -7   31   19 o  111.637   13.837   37.632   8.0759   40.208   10.969   34.584   11.934  117.647   17.255  105.627   21.636 12.01977 27.67374 
1 1 1   -7   31   20 o  133.989   11.527   51.550   8.3160   47.942   11.200   55.983   12.415  128.916   16.078  139.062   16.521 -10.14560 23.05310 
1 1 1   -7   31   21 o  207.552   11.535  120.576   12.937   0.0000   0.0000  120.576   12.937  ?   ?   207.552   11.535      ?      ? 
1 1 1   -7   31   22 o   85.201   15.433   22.525   7.9412   37.182   11.485   9.0981   10.992  110.066   20.049   60.337   23.469 49.72892 30.86660 
1 1 1   -7   31   23 o  122.578   12.201   44.215   8.0589   45.903   11.159   42.375   11.651  125.470   16.459  119.686   18.015 5.783623 24.40129 
1 1 1   -7   31   24 o   77.344   16.930   19.415   7.7667   19.441   10.333   19.381   11.775   77.625   22.998   77.063   24.852 0.5618820 33.86094 
1 1 1   -7   31   25 o   72.801   17.191   16.837   8.0011   14.190   11.313   19.486   11.317   68.211   24.325   77.391   24.299 -9.179565 34.38199 
1 1 1   -7   31   26 o  206.344   12.638  120.592   14.092   0.0000   0.0000  120.592   14.092  ?   ?   206.344   12.638      ?      ? 
1 1 1   -7   31   27 o   69.943   17.556   15.516   8.3318   16.250   11.478   14.698   12.114   71.107   24.568   68.780   25.086 2.327446 35.11196 
1 1 1   -7   31   28 f  141.951   11.236   59.361   8.5863   61.567   11.818   56.894   12.496  145.343   15.047  138.560   16.690 6.783524 22.47157 
1 1 1   -7   31   29 o   96.472   18.173   31.872   9.4498   31.273   11.923   32.883   15.498   97.351   23.026   95.593   28.123 1.758224 36.34652 
1 1 1   -7   31   30 o   75.396   18.370   17.329   8.9129   11.143   11.031   28.964   15.128   61.825   23.651   88.967   28.115 -27.14191 36.74003 
1 1 1   -7   31   31 o  139.096   13.362   58.929   9.4686   82.027   14.557   41.990   12.466  164.975   16.329  113.218   21.154 51.75655 26.72338 
1 1 1   -7   31   32 o   56.306   16.636   6.4468   8.6341   12.044   12.466   1.2857   11.970   62.724   24.813   49.887   22.167 12.83635 33.27256 
1 1 1   -7   31   33 o  108.141   23.639   47.006   15.004   63.716   24.350   36.779   19.050  121.572   35.105   94.711   31.669 26.86087 47.27885 
1 1 1   -7   31   35 o   89.703   22.271   34.125   13.368   33.806   19.370   34.414   18.472   88.870   31.814   90.536   31.174 -1.665306 44.54162 
1 1 1   -7   31   36 o   59.601   16.540   10.500   8.1540   2.5464   10.773   21.169   12.477   47.202   20.999   72.001   25.560 -24.79946 33.07920 
1 1 1   -7   31   37 o   41.198   13.628  -4.4945   7.6301  -1.0676   10.590  -8.1937   11.003   43.539   19.945   38.856   18.577 4.683014 27.25603 
1 1 1   -7   31   38 o   58.852   16.403   10.940   7.8094   6.6815   10.746   15.706   11.368   52.444   22.131   65.259   24.216 -12.81514 32.80543 
1 1 1   -7   31   39 o   53.860   15.998   8.5084   7.8746   5.5920   10.579   12.132   11.792   49.562   21.457   58.158   23.736 -8.596489 31.99672 
1 1 1   -7   32    1 o   97.950   14.781   27.199   7.8235   0.0000   0.0000   27.199   7.8235  ?   ?    97.950   14.781      ?      ? 
1 1 1   -7   32    2 o  121.709   11.905   41.302   7.8293   0.0000   0.0000   41.302   7.8293  ?   ?   121.709   11.905      ?      ? 
1 1 1   -7   32    3 o   50.198   19.802   5.0127   7.9181   0.0000   0.0000   5.0127   7.9181  ?   ?    50.198   19.802      ?      ? 
1 1 1   -7   32    4 o  127.432   11.655   45.227   8.0253   0.0000   0.0000   45.227   8.0253  ?   ?   127.432   11.655      ?      ? 
1 1 1   -7   32    5 o   46.230   18.937   3.0521   7.5409   0.0000   0.0000   3.0521   7.5409  ?   ?    46.230   18.937      ?      ? 
1 1 1   -7   32    6 o   85.349   14.610   23.466   6.7384   16.162   11.514   27.270   8.3102   72.971   24.620   97.727   15.737 -24.75594 29.21953 
1 1 1   -7   32    7 o   56.123   15.279   7.3670   6.3811   6.6149   10.672   7.7856   7.9611   57.107   22.840   55.138   20.302 1.968700 30.55811 
1 1 1   -7   32    8 o   84.827   14.779   22.664   6.7007   19.221   10.607   24.950   8.6436   78.352   23.322   91.302   18.159 -12.94968 29.55760 
1 1 1   -7   32    9 o  195.102   12.831  106.909   13.527   0.0000   0.0000  106.909   13.527  ?   ?   195.102   12.831      ?      ? 
1 1 1   -7   32   10 o   92.961   15.869   27.122   7.8216   27.339   10.303   26.828   12.017   94.220   20.793   91.702   23.979 2.517960 31.73855 
1 1 1   -7   32   11 o   66.826   16.022   12.978   7.5245   19.418   9.8439   3.9259   11.670   78.709   22.189   54.943   23.118 23.76614 32.04338 
1 1 1   -7   32   12 o   50.927   15.198  -0.2350   7.5008  -7.4980   9.8873   9.6124   11.513   39.775   18.583   62.079   24.054 -22.30412 30.39581 
1 1 1   -7   32   13 o   90.746   15.930   26.497   8.1840   36.882   11.450   15.649   11.702  109.992   20.001   71.500   24.801 38.49264 31.86091 
1 1 1   -7   32   14 f  202.620   8.6210  114.625   9.4104  104.761   12.761  126.384   13.933  193.099   12.229  212.142   12.154 -19.04376 17.24208 
1 1 1   -7   32   15 o   74.082   17.051   17.377   7.8420   18.375   10.791   16.260   11.416   75.964   23.707   72.200   24.514 3.763908 34.10208 
1 1 1   -7   32   16 o   60.407   14.770   3.4454   7.9022   22.754   11.077 -16.5670   11.277   83.959   23.491   36.855   17.909 47.10345 29.53961 
1 1 1   -7   32   17 o   43.015   14.162  -7.5519   8.0369 -10.3949   11.258  -4.5967   11.477   40.553   19.217   45.477   20.807 -4.923481 28.32350 
1 1 1   -7   32   18 o  145.351   11.130   61.516   8.6810   63.982   11.784   58.590   12.837  149.236   14.613  141.466   16.793 7.770432 22.26040 
1 1 1   -7   32   19 o   51.085   15.371   1.3627   7.6004  -3.9783   10.205   8.0149   11.389   43.211   19.713   58.959   23.590 -15.74777 30.74183 
1 1 1   -7   32   20 o  105.006   14.279   34.017   7.8947   36.220   10.789   31.478   11.583  110.549   18.061   99.463   22.122 11.08621 28.55847 
1 1 1   -7   32   21 o   48.433   15.197  -1.3067   7.9874  -4.8816   10.981   2.7102   11.640   44.087   20.238   52.779   22.677 -8.692513 30.39388 
1 1 1   -7   32   22 o   80.259   15.793   20.337   8.3111   34.591   11.572   5.1502   11.944  104.697   21.182   55.821   23.432 48.87547 31.58675 
1 1 1   -7   32   23 o   56.867   15.834   5.4497   7.5412  -1.8502   9.9364   15.367   11.581   44.320   19.908   69.415   24.627 -25.09509 31.66720 
1 1 1   -7   32   24 o   77.281   17.205   20.004   7.9955   19.298   10.817   20.853   11.871   76.117   23.732   78.446   24.917 -2.328842 34.41053 
1 1 1   -7   32   25 o   62.274   16.415   10.664   7.8334   16.941   10.840   3.8040   11.333   71.749   23.887   52.799   22.521 18.95074 32.82992 
1 1 1   -7   32   26 o  140.615   11.054   58.287   8.3959   57.058   11.674   59.604   12.084  139.162   15.524  142.068   15.741 -2.905838 22.10805 
1 1 1   -7   32   27 o   57.458   16.025   8.3703   7.7114   13.899   10.501   1.9002   11.360   65.106   23.412   49.811   21.886 15.29477 32.04924 
1 1 1   -7   32   28 o  148.023   12.678   64.942   9.6809   58.585   11.832   77.815   16.837  139.736   15.670  156.311   19.934 -16.57457 25.35587 
1 1 1   -7   32   29 o   53.506   18.146 -15.5376   13.249   6.8739   23.943 -25.4279   15.906   66.380   30.248   40.632   20.053 25.74799 36.29128 
1 1 1   -7   32   30 o   64.855   28.319   9.1239   18.758   0.0000   0.0000   9.1239   18.758  ?   ?    64.855   28.319      ?      ? 
1 1 1   -7   32   31 o   49.909   16.982 -14.6209   13.318 -20.2568   21.355 -11.0338   17.037   50.658   24.623   49.159   23.394 1.499069 33.96479 
1 1 1   -7   32   32 o   52.506   17.401  -4.6641   12.594 -12.6104   19.248   1.2842   16.653   50.021   24.084   54.992   25.124 -4.970547 34.80297 
1 1 1   -7   32   33 o   75.709   16.411   22.603   8.3544   33.245   11.432   10.408   12.239   94.705   22.645   56.713   23.758 37.99257 32.82173 
1 1 1   -7   32   34 o   79.088   17.638   24.626   8.3904   23.783   11.248   25.684   12.598   78.450   24.157   79.725   25.706 -1.274574 35.27581 
1 1 1   -7   32   35 o   43.138   14.159  -3.2725   7.8949  -2.6743   10.696  -3.9886   11.702   42.813   19.769   43.464   20.276 -0.6503372 28.31833 
1 1 1   -7   32   36 o   69.465   16.877   18.308   7.9898   10.872   10.637   27.938   12.104   56.275   22.697   82.654   24.983 -26.37981 33.75380 
1 1 1   -7   33    1 o   32.436   15.403  -7.8513   7.3080   0.0000   0.0000  -7.8513   7.3080  ?   ?    32.436   15.403      ?      ? 
1 1 1   -7   33    2 o   74.516   18.968   17.096   7.6574   0.0000   0.0000   17.096   7.6574  ?   ?    74.516   18.968      ?      ? 
1 1 1   -7   33    3 o   61.865   20.029   11.503   7.6426   0.0000   0.0000   11.503   7.6426  ?   ?    61.865   20.029      ?      ? 
1 1 1   -7   33    4 o   69.988   19.165   15.099   7.4608   0.0000   0.0000   15.099   7.4608  ?   ?    69.988   19.165      ?      ? 
1 1 1   -7   33    5 o   60.722   19.478   11.065   7.2402   0.0000   0.0000   11.065   7.2402  ?   ?    60.722   19.478      ?      ? 
1 1 1   -7   33    6 o  134.190   11.375   50.452   8.2485   0.0000   0.0000   50.452   8.2485  ?   ?   134.190   11.375      ?      ? 
1 1 1   -7   33    7 o   44.038   13.789  -3.0824   6.3324   4.6306   10.635  -7.3189   7.8819   53.582   22.271   34.494   16.265 19.08754 27.57811 
1 1 1   -7   33    8 o   48.988   14.880   1.0617   6.7454   5.7928   11.617  -1.3449   8.2852   56.473   23.358   41.503   18.442 14.96964 29.76078 
1 1 1   -7   33    9 o  100.091   13.621   32.339   6.7741   24.369   11.261   36.857   8.4799   86.546   23.482  113.636   13.810 -27.08965 27.24171 
1 1 1   -7   33   10 o   86.455   16.891   24.628   8.2500   28.289   11.384   20.580   11.973   93.772   22.708   79.139   25.012 14.63290 33.78239 
1 1 1   -7   33   11 f  152.846   15.706   67.778   12.972   0.0000   0.0000   67.778   12.972  ?   ?   152.846   15.706      ?      ? 
1 1 1   -7   33   12 o   77.271   16.041   18.658   8.2117   30.732   11.318   5.2362   11.933   98.389   21.856   56.154   23.486 42.23470 32.08278 
1 1 1   -7   33   13 o   87.898   16.148   24.101   7.8093   17.777   10.256   32.826   12.047   74.477   23.090  101.320   22.581 -26.84209 32.29642 
1 1 1   -7   33   14 o  151.864   10.510   65.699   8.5726   57.239   11.504   76.265   12.856  140.826   15.117  162.902   14.604 -22.07581 21.01923 
1 1 1   -7   33   15 o  154.827   10.648   69.548   8.8060   81.563   12.525   57.804   12.383  168.966   13.718  140.688   16.289 28.27852 21.29572 
1 1 1   -7   33   16 f  113.199   14.436   39.781   8.5734   33.923   12.100   45.687   12.150  102.699   22.431  123.699   18.177 -21.00048 28.87127 
1 1 1   -7   33   17 o   70.249   17.623   15.555   8.4325   12.485   11.547   19.062   12.343   64.907   24.343   75.590   25.491 -10.68325 35.24685 
1 1 1   -7   33   18 o   50.240   15.662   0.7507   8.2523   0.2153   11.130   1.4044   12.298   48.651   21.508   51.830   22.773 -3.178692 31.32372 
1 1 1   -7   33   19 o   59.583   16.885   8.8269   8.2590   7.9054   11.374   9.8548   12.012   57.952   23.437   61.213   24.312 -3.260490 33.76953 
1 1 1   -7   33   20 o   54.874   16.190   4.3671   8.1516  -0.9138   10.998   10.805   12.143   47.195   21.090   62.553   24.571 -15.35760 32.38093 
1 1 1   -7   33   21 o   40.487   13.585  -9.4303   7.8800  -9.4834   10.312  -9.3558   12.216   38.434   18.264   42.539   20.116 -4.105129 27.17091 
1 1 1   -7   33   22 o   84.671   16.288   23.635   8.0759   13.925   10.792   35.995   12.175   65.419   23.705  103.923   22.345 -38.50406 32.57608 
1 1 1   -7   33   23 o   63.296   17.000   12.818   8.0033   12.796   10.826   12.845   11.885   63.056   23.585   63.535   24.489 -0.4787560 33.99943 
1 1 1   -7   33   24 o  117.723   13.579   43.539   8.6353   42.806   12.031   44.317   12.401  116.827   19.058  118.619   19.348 -1.791679 27.15781 
1 1 1   -7   33   25 o   41.010   13.671 -11.6780   8.1586 -22.6172   11.318   0.1541   11.771   33.215   16.485   48.805   21.814 -15.59058 27.34213 
1 1 1   -7   33   26 o   61.311   19.721  -0.1295   14.543   13.356   21.467 -11.5676   19.771   69.970   30.428   52.652   25.097 17.31787 39.44273 
1 1 1   -7   33   27 o   80.036   32.225   25.068   21.400   25.068   21.400   0.0000   0.0000   80.036   32.225  ?   ?       ?      ? 
1 1 1   -7   33   28 o   42.700   21.324 -36.6892   20.180 -36.6892   20.180   0.0000   0.0000   42.700   21.324  ?   ?       ?      ? 
1 1 1   -7   33   29 o   54.553   25.582   1.1912   19.036   0.0000   0.0000   1.1912   19.036  ?   ?    54.553   25.582      ?      ? 
1 1 1   -7   33   30 o   49.032   15.718   2.3302   8.9920   3.1194   12.964   1.5986   12.483   49.944   22.559   48.120   21.894 1.823227 31.43628 
1 1 1   -7   33   31 o   55.523   16.070   6.5348   8.5582   17.036   11.744  -5.3569   12.497   67.252   24.673   43.793   20.598 23.45891 32.14095 
1 1 1   -7   33   32 o   72.382   17.770   20.512   8.5201   16.761   11.467   25.135   12.731   66.177   24.365   78.587   25.873 -12.40951 35.53984 
1 1 1   -7   33   33 o   60.341   15.720   11.506   8.2743   24.667   11.173  -4.4752   12.313   77.952   24.090   42.731   20.204 35.22067 31.44031 
1 1 1   -7   34    1 o  143.834   11.314   58.178   8.7934   0.0000   0.0000   58.178   8.7934  ?   ?   143.834   11.314      ?      ? 
1 1 1   -7   34    2 o  117.689   12.783   39.378   8.1291   0.0000   0.0000   39.378   8.1291  ?   ?   117.689   12.783      ?      ? 
1 1 1   -7   34    3 o  109.294   13.839   34.264   8.1730   0.0000   0.0000   34.264   8.1730  ?   ?   109.294   13.839      ?      ? 
1 1 1   -7   34    4 o  131.255   12.277   48.826   8.7074   0.0000   0.0000   48.826   8.7074  ?   ?   131.255   12.277      ?      ? 
1 1 1   -7   34    5 o   63.706   19.858   12.607   7.5738   0.0000   0.0000   12.607   7.5738  ?   ?    63.706   19.858      ?      ? 
1 1 1   -7   34    6 o  101.714   14.630   29.951   8.0408   0.0000   0.0000   29.951   8.0408  ?   ?   101.714   14.630      ?      ? 
1 1 1   -7   34    7 o   50.493   20.446   5.1095   8.6684   0.0000   0.0000   5.1095   8.6684  ?   ?    50.493   20.446      ?      ? 
1 1 1   -7   34    8 o  123.596   11.312   45.270   7.2308   43.356   11.885   46.395   9.1110  119.934   18.339  127.258   13.249 -7.324181 22.62406 
1 1 1   -7   34    9 o  142.707   10.843   58.593   7.8701   62.365   13.776   56.766   9.5890  144.296   17.668  141.119   12.575 3.176361 21.68563 
1 1 1   -7   34   10 o   94.260   14.271   29.228   6.9499   22.793   11.419   33.014   8.7593   82.232   24.125  106.288   15.251 -24.05642 28.54115 
1 1 1   -7   34   11 o   65.117   17.072   12.902   7.9725   12.964   10.826   12.828   11.784   64.976   23.712   65.259   24.568 -0.2834396 34.14449 
1 1 1   -7   34   12 o   70.123   17.268   15.953   8.1249   18.789   11.249   12.859   11.748   74.978   24.302   65.267   24.538 9.710876 34.53572 
1 1 1   -7   34   13 o   43.037   13.690  -6.0883   7.3436   4.6755   10.049 -18.4221   10.757   51.835   21.606   34.239   16.818 17.59653 27.37993 
1 1 1   -7   34   14 o   60.887   16.390   10.659   7.5574   12.983   10.183   7.8084   11.276   64.384   23.065   57.390   23.292 6.993717 32.77953 
1 1 1   -7   34   15 o   51.998   14.873  -0.7396   7.7270 -15.5021   10.650   15.670   11.228   35.309   17.213   68.687   24.261 -33.37815 29.74701 
1 1 1   -7   34   16 o   54.398   16.294   5.5555   8.3453   7.8074   11.130   2.6638   12.613   56.391   23.043   52.405   23.043 3.986183 32.58740 
1 1 1   -7   34   17 o   55.211   16.398   6.4903   8.3622   9.0371   11.026   3.0422   12.830   57.641   23.158   52.780   23.223 4.861160 32.79672 
1 1 1   -7   34   18 o   69.754   17.403   16.970   8.5817   21.963   11.317   10.215   13.164   78.661   24.233   60.848   24.984 17.81386 34.80612 
1 1 1   -7   34   19 o   72.162   17.789   18.237   8.4902   18.441   11.258   17.969   12.929   72.748   24.345   71.576   25.944 1.172401 35.57821 
1 1 1   -7   34   20 o   61.314   17.100   10.866   8.3001   10.389   11.061   11.480   12.556   60.041   23.490   62.588   24.857 -2.546581 34.20050 
1 1 1   -7   34   22 o   87.675   22.200   27.545   11.990   41.644   23.961   22.836   13.848   96.138   35.247   79.212   26.999 16.92567 44.39926 
1 1 1   -7   34   23 f   51.958   17.733 -14.4321   14.737 -17.1577   23.300 -12.6149   19.025   53.439   25.916   50.477   24.210 2.961945 35.46515 
1 1 1   -7   34   24 o   68.205   21.027   17.581   14.554   16.385   22.299   18.468   19.211   67.609   30.135   68.800   29.334 -1.190689 42.05465 
1 1 1   -7   34   25 o   86.130   21.447   38.006   14.878   13.338   22.162   58.243   20.073   62.333   28.664  109.926   31.911 -47.59386 42.89469 
1 1 1   -7   34   26 o   78.124   18.217   24.268   8.9155   18.894   11.643   31.886   13.862   69.017   24.670   87.231   26.812 -18.21390 36.43433 
1 1 1   -7   34   27 o   58.931   17.282   2.4964   9.4287 -10.0261   11.583   27.095   16.234   39.206   18.827   78.657   28.986 -39.45090 34.56337 
1 1 1   -7   34   28 o   79.745   17.062   23.243   9.2354   41.171   13.662   8.1559   12.533  104.309   24.632   55.181   23.614 49.12765 34.12303 
1 1 1   -7   34   29 o   64.731   17.934   17.160   9.1688   21.286   13.460   13.588   12.524   69.615   26.246   59.848   24.448 9.766792 35.86887 
1 1 1   -7   35    1 o   71.314   24.532   17.685   11.439   0.0000   0.0000   17.685   11.439  ?   ?    71.314   24.532      ?      ? 
1 1 1   -7   35    2 o   44.000   18.918   1.8710   8.1116   0.0000   0.0000   1.8710   8.1116  ?   ?    44.000   18.918      ?      ? 
1 1 1   -7   35    3 o   75.743   19.446   18.681   7.9997   0.0000   0.0000   18.681   7.9997  ?   ?    75.743   19.446      ?      ? 
1 1 1   -7   35    4 o   40.557   17.995  -0.4113   7.8610   0.0000   0.0000  -0.4113   7.8610  ?   ?    40.557   17.995      ?      ? 
1 1 1   -7   35    5 o   47.467   19.272   4.7866   7.7228   0.0000   0.0000   4.7866   7.7228  ?   ?    47.467   19.272      ?      ? 
1 1 1   -7   35    6 o   72.297   19.538   17.123   7.8146   0.0000   0.0000   17.123   7.8146  ?   ?    72.297   19.538      ?      ? 
1 1 1   -7   35    7 o  128.879   12.719   48.144   8.8576   0.0000   0.0000   48.144   8.8576  ?   ?   128.879   12.719      ?      ? 
1 1 1   -7   35    8 o   67.018   16.566   14.444   7.0267   18.405   12.378   12.560   8.5355   71.925   25.465   62.111   21.196 9.814022 33.13260 
1 1 1   -7   35    9 o   47.646   14.657   1.8406   6.9122   4.6712   10.966  -0.0256   8.9038   52.078   22.183   43.214   19.164 8.864048 29.31411 
1 1 1   -7   35   10 o   53.508   15.955   3.2727   7.8973   12.712   12.778  -2.5610   10.046   64.011   25.185   43.005   19.595 21.00618 31.91036 
1 1 1   -7   35   11 o   56.257   16.291   6.0437   8.3907   13.944   11.746  -2.1881   11.990   65.496   24.553   47.019   21.418 18.47719 32.58192 
1 1 1   -7   35   16 o   35.182   12.288 -21.4676   8.5070 -22.3451   12.046 -20.5945   12.016   34.828   17.236   35.536   17.517 -0.7078476 24.57515 
1 1 1   -7   35   17 o   49.308   16.812  -9.5580   10.983  -8.0270   23.030 -10.0086   12.495   56.789   27.073   41.826   19.941 14.96275 33.62445 
1 1 1   -7   35   18 o   59.293   19.286  -2.7332   15.491 -29.3468   22.414   21.604   21.434   46.717   23.189   71.869   30.822 -25.15171 38.57119 
1 1 1   -7   35   19 o   57.795   19.115   0.2936   15.221   21.221   22.407 -17.6351   20.740   68.192   30.313   47.398   23.296 20.79390 38.23053 
1 1 1   -7   35   20 o   81.854   20.956   30.829   15.366  -3.2320   22.503   60.586   21.033   53.950   25.992  109.758   32.879 -55.80777 41.91225 
1 1 1   -7   35   21 o   65.148   20.439   15.202   14.769   5.5473   21.977   23.153   19.943   59.213   27.678   71.083   30.081 -11.86969 40.87724 
1 1 1   -7   35   22 o   49.547   16.150  -0.9682   10.162   4.9641   12.011 -15.9167   19.066   51.881   22.657   47.213   23.020 4.667397 32.29919 
1 1 1   -7   35   23 o   96.955   16.393   34.476   8.4966   37.450   11.937   31.421   12.096  102.622   22.174   91.289   24.149 11.33305 32.78506 
1 1 1   -7   35   24 o   63.900   17.182   15.452   8.4816   22.306   12.307   9.2517   11.705   72.968   25.427   54.832   23.116 18.13596 34.36385 
1 1 1   -7   35   25 o   80.023   17.173   27.404   8.7600   35.137   11.760   17.766   13.130   95.598   23.037   64.448   25.475 31.14996 34.34628 
1 1 1   -7   36    1 o   57.798   27.234  -5.0518   22.028   0.0000   0.0000  -5.0518   22.028  ?   ?    57.798   27.234      ?      ? 
1 1 1   -7   36    3 o   86.839   24.792   27.015   12.209   0.0000   0.0000   27.015   12.209  ?   ?    86.839   24.792      ?      ? 
1 1 1   -7   36    4 o   36.894   17.997 -16.0638   11.696   0.0000   0.0000 -16.0638   11.696  ?   ?    36.894   17.997      ?      ? 
1 1 1   -7   36    5 o   48.534   21.683   0.6850   11.616   0.0000   0.0000   0.6850   11.616  ?   ?    48.534   21.683      ?      ? 
1 1 1   -7   36    6 o   74.575   25.637   20.588   12.491   0.0000   0.0000   20.588   12.491  ?   ?    74.575   25.637      ?      ? 
1 1 1   -7   36    7 o   97.563   23.618   33.923   12.318   0.0000   0.0000   33.923   12.318  ?   ?    97.563   23.618      ?      ? 
1 1 1   -7   36    8 o   70.663   25.682   19.159   12.681   0.0000   0.0000   19.159   12.681  ?   ?    70.663   25.682      ?      ? 
1 1 1   -7   36    9 o  118.080   17.342   54.330   10.809   66.667   14.338   38.086   16.453  143.034   18.551   93.127   29.307 49.90697 34.68484 
1 1 1   -7   36   10 o   56.709   16.997   9.6303   9.3415   13.845   11.756   2.4122   15.386   61.337   24.150   52.082   23.925 9.254929 33.99466 
1 1 1   -7   36   11 o   76.680   19.605   26.464   10.372   25.248   13.763   28.063   15.780   75.952   26.856   77.408   28.569 -1.455391 39.21021 
1 1 1   -7   36   12 o   50.304   16.266  -2.6431   10.744   13.586   14.978 -19.8446   15.420   60.754   25.903   39.854   19.683 20.89993 32.53262 
1 1 1   -7   36   17 o  111.173   26.583   49.099   15.754   49.099   15.754   0.0000   0.0000  111.173   26.583  ?   ?       ?      ? 
1 1 1   -7   36   18 o   64.843   18.965   16.653   10.621   11.696   13.604   24.392   16.997   58.278   24.763   71.409   28.731 -13.13155 37.92942 
1 1 1   -7   36   19 o   55.482   17.241   7.0057   9.8198  -0.5288   12.465   19.329   15.942   45.644   21.169   65.319   27.218 -19.67477 34.48156 
1 1 1   -7   37    1 o   30.382   14.825 -11.3370   7.9525   0.0000   0.0000 -11.3370   7.9525  ?   ?    30.382   14.825      ?      ? 
1 1 1   -7   37    2 o   43.865   19.898  -0.2901   10.212   0.0000   0.0000  -0.2901   10.212  ?   ?    43.865   19.898      ?      ? 
1 1 1   -7   37    3 o   63.181   24.203   14.790   11.561   0.0000   0.0000   14.790   11.561  ?   ?    63.181   24.203      ?      ? 
1 1 1   -7   37    4 o   37.906   17.484  -2.7323   8.3329   0.0000   0.0000  -2.7323   8.3329  ?   ?    37.906   17.484      ?      ? 
1 1 1   -7   37    5 o  112.080   14.427   38.472   8.7379   0.0000   0.0000   38.472   8.7379  ?   ?   112.080   14.427      ?      ? 
1 1 1   -7   37    6 o   29.900   14.760 -14.7781   8.6393   0.0000   0.0000 -14.7781   8.6393  ?   ?    29.900   14.760      ?      ? 
1 1 1   -7   37    7 o   49.650   20.998   6.2012   9.7088   0.0000   0.0000   6.2012   9.7088  ?   ?    49.650   20.998      ?      ? 
1 1 1   -7   37    8 o   32.007   16.062 -26.3543   12.114   0.0000   0.0000 -26.3543   12.114  ?   ?    32.007   16.062      ?      ? 
1 1 1   -7   37    9 o   49.407   21.712   5.1658   11.183   0.0000   0.0000   5.1658   11.183  ?   ?    49.407   21.712      ?      ? 
1 1 1   -7   37   10 o   31.654   15.818 -22.1674   11.190   0.0000   0.0000 -22.1674   11.190  ?   ?    31.654   15.818      ?      ? 
1 1 1   -7   37   11 o   41.821   19.646  -3.3564   11.308   0.0000   0.0000  -3.3564   11.308  ?   ?    41.821   19.646      ?      ? 
1 1 1   -6    0    1 o  108.477   2.8293   31.924   2.3382   31.924   2.3382   31.924   2.3382  108.477   4.0012  108.477   4.0012 0.000000 0.000000 
1 1 1   -6    0    2 o  1413.66   16.790  5409.58  181.270  5409.58  181.270  5409.58  181.270  1413.66   23.745  1413.66   23.745 0.000000 0.000000 
1 1 1   -6    0    3 o  125.121   2.9552   42.440   2.8185   42.440   2.8185   42.440   2.8185  125.121   4.1793  125.121   4.1793 0.000000 0.000000 
1 1 1   -6    0    4 o  340.409   4.6464  313.460   12.077  313.460   12.077  313.460   12.077  340.409   6.5710  340.409   6.5710 0.000000 0.000000 
1 1 1   -6    0    5 f  1017.66   12.199  2802.29   94.807  2802.29   94.807  2802.29   94.807  1017.66   17.252  1017.66   17.252 0.000000 0.000000 
1 1 1   -6    0    6 o  576.131   7.1697  897.857   31.544  897.857   31.544  897.857   31.544  576.131   10.139  576.131   10.139 0.000000 0.000000 
1 1 1   -6    0    7 o  925.013   11.128  2315.19   78.613  2315.19   78.613  2315.19   78.613  925.013   15.738  925.013   15.738 0.000000 0.000000 
1 1 1   -6    0    8 o  901.570   10.863  2199.21   74.794  2199.21   74.794  2199.21   74.794  901.570   15.363  901.570   15.363 0.000000 0.000000 
1 1 1   -6    0    9 o  651.683   8.0245  1148.78   39.936  1148.78   39.936  1148.78   39.936  651.683   11.348  651.683   11.348 0.000000 0.000000 
1 1 1   -6    0   10 o  944.168   11.355  2411.80   81.873  2411.80   81.873  2411.80   81.873  944.168   16.058  944.168   16.058 0.000000 0.000000 
1 1 1   -6    0   11 o  395.919   5.2682  424.009   15.927  424.009   15.927  424.009   15.927  395.919   7.4503  395.919   7.4503 0.000000 0.000000 
1 1 1   -6    0   12 o  600.521   7.4681  975.457   34.248  975.457   34.248  975.457   34.248  600.521   10.561  600.521   10.561 0.000000 0.000000 
1 1 1   -6    0   13 o   76.655   4.2760   16.172   2.4690   16.172   2.4690   16.172   2.4690   76.655   6.0472   76.655   6.0472 0.000000 0.000000 
1 1 1   -6    0   14 o  660.369   8.1527  1179.68   41.114  1179.68   41.114  1179.68   41.114  660.369   11.530  660.369   11.530 0.000000 0.000000 
1 1 1   -6    0   15 o  718.050   8.8020  1394.85   48.266  1394.85   48.266  1394.85   48.266  718.050   12.448  718.050   12.448 0.000000 0.000000 
1 1 1   -6    0   16 o  699.617   8.5997  1324.16   45.946  1324.16   45.946  1324.16   45.946  699.617   12.162  699.617   12.162 0.000000 0.000000 
1 1 1   -6    0   17 o   94.555   4.3029   24.458   3.0797   24.458   3.0797   24.458   3.0797   94.555   6.0852   94.555   6.0852 0.000000 0.000000 
1 1 1   -6    0   18 o  372.936   5.1202  376.286   14.580  376.286   14.580  376.286   14.580  372.936   7.2411  372.936   7.2411 0.000000 0.000000 
1 1 1   -6    0   19 o  287.683   4.3748  223.963   9.6077  223.963   9.6077  223.963   9.6077  287.683   6.1869  287.683   6.1869 0.000000 0.000000 
1 1 1   -6    0   20 o  772.691   9.4501  1616.18   55.764  1616.18   55.764  1616.18   55.764  772.691   13.364  772.691   13.364 0.000000 0.000000 
1 1 1   -6    0   21 o  725.828   8.9226  1426.01   49.457  1426.01   49.457  1426.01   49.457  725.828   12.618  725.828   12.618 0.000000 0.000000 
1 1 1   -6    0   22 o  251.581   4.2201  171.333   8.1031  171.333   8.1031  171.333   8.1031  251.581   5.9682  251.581   5.9682 0.000000 0.000000 
1 1 1   -6    0   23 o  491.244   9.0840  654.054   34.049  654.054   34.049  654.054   34.049  491.244   12.847  491.244   12.847 0.000000 0.000000 
1 1 1   -6    0   26 o  326.083   4.8549  287.757   12.086  287.757   12.086  287.757   12.086  326.083   6.8659  326.083   6.8659 0.000000 0.000000 
1 1 1   -6    0   27 o  350.531   5.0893  332.509   13.620  332.509   13.620  332.509   13.620  350.531   7.1974  350.531   7.1974 0.000000 0.000000 
1 1 1   -6    0   28 f   61.064   9.5897   11.452   3.9113   11.452   3.9113   11.452   3.9113   61.064   13.562   61.064   13.562 0.000000 0.000000 
1 1 1   -6    0   29 o  1448.78   17.284  5693.37  191.234  5693.37  191.234  5693.37  191.234  1448.78   24.443  1448.78   24.443 0.000000 0.000000 
1 1 1   -6    0   30 o  356.639   5.2387  344.185   14.264  344.185   14.264  344.185   14.264  356.639   7.4086  356.639   7.4086 0.000000 0.000000 
1 1 1   -6    0   31 o  1356.34   16.206  4985.79  167.863  4985.79  167.863  4985.79  167.863  1356.34   22.918  1356.34   22.918 0.000000 0.000000 
1 1 1   -6    0   32 o  1009.10   12.196  2756.80   93.989  2756.80   93.989  2756.80   93.989  1009.10   17.248  1009.10   17.248 0.000000 0.000000 
1 1 1   -6    0   33 o  791.387   9.7347  1695.00   58.832  1695.00   58.832  1695.00   58.832  791.387   13.767  791.387   13.767 0.000000 0.000000 
1 1 1   -6    0   34 o  272.419   4.9304  200.945   10.249  200.945   10.249  200.945   10.249  272.419   6.9726  272.419   6.9726 0.000000 0.000000 
1 1 1   -6    0   35 o  1205.65   14.467  3938.05  133.207  3938.05  133.207  3938.05  133.207  1205.65   20.460  1205.65   20.460 0.000000 0.000000 
1 1 1   -6    0   36 o  1619.96   19.312  7121.50  238.920  7121.50  238.920  7121.50  238.920  1619.96   27.311  1619.96   27.311 0.000000 0.000000 
1 1 1   -6    0   37 o   99.485   8.5999   27.938   6.2769   27.938   6.2769   27.938   6.2769   99.485   12.162   99.485   12.162 0.000000 0.000000 
1 1 1   -6    0   38 o  925.421   11.294  2319.52   79.814  2319.52   79.814  2319.52   79.814  925.421   15.971  925.421   15.971 0.000000 0.000000 
1 1 1   -6    0   39 o  399.195   5.9824  431.318   18.232  431.318   18.232  431.318   18.232  399.195   8.4605  399.195   8.4605 0.000000 0.000000 
1 1 1   -6    0   40 o   61.628   16.781   14.017   7.4873   14.017   7.4873   14.017   7.4873   61.628   23.732   61.628   23.732 0.000000 0.000000 
1 1 1   -6    0   41 o  1102.31   13.330  3293.92  112.214  3293.92  112.214  3293.92  112.214  1102.31   18.851  1102.31   18.851 0.000000 0.000000 
1 1 1   -6    0   42 o  233.191   5.9103  147.573   10.502  147.573   10.502  147.573   10.502  233.191   8.3584  233.191   8.3584 0.000000 0.000000 
1 1 1   -6    0   44 o  585.445   7.6634  928.240   34.259  928.240   34.259  928.240   34.259  585.445   10.838  585.445   10.838 0.000000 0.000000 
1 1 1   -6    0   45 o  331.156   5.6038  297.050   14.163  297.050   14.163  297.050   14.163  331.156   7.9250  331.156   7.9250 0.000000 0.000000 
1 1 1   -6    0   46 o  141.349   7.4349   54.958   7.9288   54.958   7.9288   54.958   7.9288  141.349   10.514  141.349   10.514 0.000000 0.000000 
1 1 1   -6    0   47 o  429.444   6.2606  499.625   20.526  499.625   20.526  499.625   20.526  429.444   8.8539  429.444   8.8539 0.000000 0.000000 
1 1 1   -6    0   48 o  615.340   7.9661  1026.85   37.431  1026.85   37.431  1026.85   37.431  615.340   11.266  615.340   11.266 0.000000 0.000000 
1 1 1   -6    0   49 o  253.284   5.5815  174.103   10.780  174.103   10.780  174.103   10.780  253.284   7.8934  253.284   7.8934 0.000000 0.000000 
1 1 1   -6    0   50 o  234.470   5.6104  149.334   10.027  149.334   10.027  149.334   10.027  234.470   7.9342  234.470   7.9342 0.000000 0.000000 
1 1 1   -6    0   51 o  374.497   5.9187  380.355   16.919  380.355   16.919  380.355   16.919  374.497   8.3703  374.497   8.3703 0.000000 0.000000 
1 1 1   -6    0   54 o  364.625   8.3246  362.838   23.141  362.838   23.141  362.838   23.141  364.625   11.773  364.625   11.773 0.000000 0.000000 
1 1 1   -6    0   55 o   65.873   19.778   17.185   10.102   17.185   10.102   17.185   10.102   65.873   27.970   65.873   27.970 0.000000 0.000000 
1 1 1   -6    0   56 o   27.547   13.486  -7.5743   9.7448  -7.5743   9.7448  -7.5743   9.7448   27.547   19.073   27.547   19.073 0.000000 0.000000 
1 1 1   -6    0   57 o  129.617   7.9335   46.822   7.7229   46.822   7.7229   46.822   7.7229  129.617   11.220  129.617   11.220 0.000000 0.000000 
1 1 1   -6    0   58 o  154.458   6.9695   65.794   8.1497   65.794   8.1497   65.794   8.1497  154.458   9.8564  154.458   9.8564 0.000000 0.000000 
1 1 1   -6    0   59 o  212.297   5.8543  123.137   9.4649  123.137   9.4649  123.137   9.4649  212.297   8.2792  212.297   8.2792 0.000000 0.000000 
1 1 1   -6    0   60 o   31.061   13.895   1.4403   7.0799   1.4403   7.0799   1.4403   7.0799   31.061   19.651   31.061   19.651 0.000000 0.000000 
1 1 1   -6    0   61 o  212.780   6.0609  124.000   9.8190  124.000   9.8190  124.000   9.8190  212.780   8.5714  212.780   8.5714 0.000000 0.000000 
1 1 1   -6    0   62 o  148.953   7.5627   61.778   8.5066   61.778   8.5066   61.778   8.5066  148.953   10.695  148.953   10.695 0.000000 0.000000 
1 1 1   -6    0   63 o   30.830   13.919   1.1879   7.2972   1.1879   7.2972   1.1879   7.2972   30.830   19.684   30.830   19.684 0.000000 0.000000 
1 1 1   -6    0   64 o  151.714   7.5933   64.215   8.7022   64.215   8.7022   64.215   8.7022  151.714   10.739  151.714   10.739 0.000000 0.000000 
1 1 1   -6    0   65 f   85.765   14.063   23.846   8.0182   23.846   8.0182   23.846   8.0182   85.765   19.889   85.765   19.889 0.000000 0.000000 
1 1 1   -6    0   66 o  113.389   10.371   37.940   8.5727   37.940   8.5727   37.940   8.5727  113.389   14.667  113.389   14.667 0.000000 0.000000 
1 1 1   -6    0   67 o   98.093   13.306   30.212   8.9125   30.212   8.9125   30.212   8.9125   98.093   18.817   98.093   18.817 0.000000 0.000000 
1 1 1   -6    0   68 o  131.623   9.8606   50.473   9.6636   50.473   9.6636   50.473   9.6636  131.623   13.945  131.623   13.945 0.000000 0.000000 
1 1 1   -6    0   69 o  225.942   6.7194  142.433   11.555  142.433   11.555  142.433   11.555  225.942   9.5027  225.942   9.5027 0.000000 0.000000 
1 1 1   -6    0   70 o   45.431   17.642   10.235   8.8245   10.235   8.8245   10.235   8.8245   45.431   24.950   45.431   24.950 0.000000 0.000000 
1 1 1   -6    1    1 o  885.563   10.657  2120.61   50.999  2117.47   72.051  2123.77   72.196  884.906   15.068  886.221   15.076 -1.314880 21.31493 
1 1 1   -6    1    2 o  459.947   5.8784  571.688   14.610  568.060   20.547  575.399   20.777  458.471   8.2935  461.422   8.3330 -2.951141 11.75678 
1 1 1   -6    1    3 o  202.286   3.4027  110.465   3.7177  106.910   5.1649  114.287   5.3555  198.912   4.8052  205.660   4.8191 -6.747971 6.805450 
1 1 1   -6    1    4 o  682.791   8.3579  1259.54   30.822  1284.67   44.433  1236.23   42.792  689.348   11.928  676.235   11.711 13.11316 16.71588 
1 1 1   -6    1    5 o  844.930   10.198  1930.50   46.559  1943.72   66.311  1917.64   65.388  847.782   14.475  842.079   14.370 5.702637 20.39645 
1 1 1   -6    1    6 o  534.180   6.7027  771.139   19.345  762.821   27.081  779.806   27.643  531.240   9.4338  537.120   9.5240 -5.879700 13.40535 
1 1 1   -6    1    7 o  990.507   11.874  2654.19   63.553  2639.81   89.371  2668.89   90.392  987.798   16.743  993.216   16.842 -5.417664 23.74860 
1 1 1   -6    1    8 o  1883.24   22.326  9621.08  227.128  9762.47  326.145  9487.94  316.488  1896.60   31.823  1869.88   31.323 26.72742 44.65225 
1 1 1   -6    1    9 o  712.694   8.7077  1372.16   33.515  1401.36   48.398  1345.26   46.457  719.968   12.440  705.419   12.187 14.54901 17.41536 
1 1 1   -6    1   10 o  741.828   9.0357  1486.63   36.199  1518.74   52.285  1457.06   50.167  749.511   12.909  734.144   12.646 15.36700 18.07137 
1 1 1   -6    1   11 o  1095.43   13.093  3245.55   77.487  3278.63  110.758  3213.84  108.444  1100.88   18.619  1089.97   18.412 10.91650 26.18504 
1 1 1   -6    1   12 o  586.153   7.3066  928.570   23.141  921.515   32.488  935.836   32.970  583.894   10.297  588.412   10.369 -4.517822 14.61324 
1 1 1   -6    1   13 o  872.466   10.539  2058.21   49.680  2077.95   70.949  2039.22   69.588  876.566   14.979  868.367   14.830 8.199219 21.07817 
1 1 1   -6    1   14 o  1151.15   13.755  3586.61   85.558  3601.31  121.526  3572.17  120.477  1153.48   19.497  1148.81   19.407 4.667603 27.50967 
1 1 1   -6    1   15 f  492.800   6.3124  656.077   16.803  644.749   23.379  668.182   24.168  488.404   8.8584  497.197   8.9954 -8.792816 12.62487 
1 1 1   -6    1   16 o  839.698   10.178  1907.09   46.179  1899.65   65.053  1914.65   65.564  838.047   14.365  841.348   14.421 -3.300232 20.35512 
1 1 1   -6    1   17 o  514.305   6.5616  714.900   18.233  706.386   25.510  723.791   26.069  511.177   9.2353  517.433   9.3236 -6.256531 13.12324 
1 1 1   -6    1   18 o  351.725   4.9151  334.375   9.3413  332.213   13.147  336.578   13.275  350.577   6.9398  352.872   6.9620 -2.294983 9.830114 
1 1 1   -6    1   19 o  1275.35   15.250  4415.92  105.089  4384.88  147.499  4447.91  149.763  1270.82   21.479  1279.87   21.655 -9.049072 30.50043 
1 1 1   -6    1   20 o  493.120   6.3662  657.492   16.962  664.218   24.201  650.997   23.781  495.597   9.0368  490.643   8.9695 4.953979 12.73246 
1 1 1   -6    1   21 o  280.687   4.3576  212.953   6.6092  212.000   9.3059  213.923   9.3883  280.054   6.1493  281.321   6.1758 -1.266815 8.715232 
1 1 1   -6    1   22 o  643.268   8.0060  1119.71   27.828  1127.02   39.595  1112.58   39.118  645.338   11.354  641.198   11.290 4.139282 16.01209 
1 1 1   -6    1   23 o  750.861   18.472  1530.18   74.949  1530.18   74.949   0.0000   0.0000  750.861   18.472  ?   ?       ?      ? 
1 1 1   -6    1   25 o  450.713   12.058  550.000   29.366  550.000   29.366   0.0000   0.0000  450.713   12.058  ?   ?       ?      ? 
1 1 1   -6    1   26 o  321.052   4.8026  278.652   8.3316  279.825   11.829  277.498   11.737  321.722   6.8042  320.382   6.7795 1.339752 9.605103 
1 1 1   -6    1   27 o  558.233   7.1288  843.044   21.504  844.563   30.465  841.536   30.358  558.734   10.090  557.733   10.073 1.001282 14.25767 
1 1 1   -6    1   28 o  418.564   5.7181  473.652   12.932  476.943   18.421  470.453   18.160  419.996   8.1167  417.131   8.0565 2.864990 11.43626 
1 1 1   -6    1   29 o  530.964   6.8567  762.353   19.671  755.467   27.607  769.456   28.037  528.530   9.6664  533.397   9.7272 -4.867554 13.71341 
1 1 1   -6    1   30 o  1373.36   16.426  5122.20  121.901  5105.97  171.807  5138.66  172.988  1371.18   23.188  1375.54   23.273 -4.356567 32.85274 
1 1 1   -6    1   31 o  563.959   7.2361  859.497   22.041  842.313   30.602  878.021   31.773  558.109   10.147  569.808   10.319 -11.69873 14.47225 
1 1 1   -6    1   32 o  1426.63   17.043  5523.71  131.387  5513.96  185.485  5533.52  186.136  1425.37   24.082  1427.89   24.124 -2.514771 34.08675 
1 1 1   -6    1   33 o  1246.56   14.950  4213.89  100.699  4231.76  143.071  4196.34  141.757  1249.17   21.196  1243.95   21.089 5.214722 29.89966 
1 1 1   -6    1   34 o  391.914   5.6518  415.210   11.969  412.502   16.866  417.956   16.988  390.628   7.9904  393.201   7.9952 -2.573517 11.30350 
1 1 1   -6    1   35 o  918.325   11.170  2283.54   55.427  2287.16   78.552  2279.96   78.221  919.047   15.817  917.604   15.775 1.442078 22.33933 
1 1 1   -6    1   36 o  632.216   8.0177  1080.47   27.376  1058.66   37.977  1104.06   39.500  625.586   11.234  638.845   11.442 -13.25970 16.03533 
1 1 1   -6    1   37 o  645.911   8.1908  1128.84   28.587  1134.44   40.624  1123.35   40.236  647.495   11.611  644.328   11.556 3.167175 16.38164 
1 1 1   -6    1   38 o  587.596   7.6068  933.907   24.148  921.077   33.750  947.364   34.566  583.467   10.705  591.726   10.810 -8.258972 15.21359 
1 1 1   -6    1   39 o  927.851   11.332  2333.21   56.817  2332.16   80.358  2334.25   80.346  927.643   16.031  928.059   16.021 -0.4166870 22.66442 
1 1 1   -6    1   40 o  704.486   8.8661  1343.76   33.751  1338.95   47.551  1348.65   47.912  703.218   12.514  705.753   12.563 -2.534546 17.73211 
1 1 1   -6    1   41 o  633.893   8.1461  1085.72   27.866  1052.31   38.235  1123.59   40.698  623.525   11.348  644.262   11.690 -20.73730 16.29212 
1 1 1   -6    1   42 o  309.497   5.5803  259.079   9.3324  260.433   13.231  257.738   13.166  310.302   7.8905  308.692   7.8928 1.609711 11.16051 
1 1 1   -6    1   43 o  870.163   10.708  2054.17   50.346  2040.10   70.726  2068.63   71.685  867.153   15.094  873.172   15.193 -6.018311 21.41587 
1 1 1   -6    1   44 o  432.840   6.2723  507.059   14.669  503.677   20.556  510.568   20.938  431.374   8.8186  434.306   8.9218 -2.931702 12.54461 
1 1 1   -6    1   45 o  311.021   5.5959  261.774   9.4041  257.534   13.237  266.094   13.362  308.477   7.9413  313.565   7.8863 -5.088013 11.19185 
1 1 1   -6    1   46 o  464.793   6.5250  584.899   16.383  595.957   23.521  574.478   22.834  469.051   9.2799  460.534   9.1754 8.516785 13.05005 
1 1 1   -6    1   47 o  247.774   5.5589  166.172   7.4376  168.238   10.746  164.271   10.304  249.244   7.9789  246.305   7.7421 2.939377 11.11774 
1 1 1   -6    1   48 o  315.231   5.5708  269.080   9.4869  274.620   13.608  263.841   13.233  318.384   7.9094  312.079   7.8472 6.304382 11.14169 
1 1 1   -6    1   49 o  540.259   7.2292  792.445   21.099  804.862   30.283  780.733   29.412  544.351   10.295  536.168   10.152 8.182495 14.45839 
1 1 1   -6    1   50 o   82.298   11.630   19.921   5.0295   11.719   7.3276   27.226   6.9157   64.721   19.411   99.875   12.814 -35.15458 23.25910 
1 1 1   -6    1   51 o  419.186   7.6071  471.590   16.073  497.072   28.759  460.014   19.383  426.765   12.471  411.608   8.7148 15.15720 15.21414 
1 1 1   -6    1   54 o  242.821   8.0783  160.359   10.600   0.0000   0.0000  160.359   10.600  ?   ?   242.821   8.0783      ?      ? 
1 1 1   -6    1   55 o  163.157   9.3751   72.677   8.2655   0.0000   0.0000   72.677   8.2655  ?   ?   163.157   9.3751      ?      ? 
1 1 1   -6    1   56 o   88.121   13.326   22.830   5.9794   23.185   7.5240   22.221   9.8510   89.822   16.093   86.420   21.245 3.402054 26.65159 
1 1 1   -6    1   57 o  149.202   7.0462   61.040   5.6760   57.689   7.9584   64.509   8.0977  144.992   10.158  153.412   9.7682 -8.420792 14.09237 
1 1 1   -6    1   58 o  126.569   8.0269   44.018   5.4463   52.383   8.0189   36.855   7.4203  137.807   10.768  115.330   11.907 22.47737 16.05389 
1 1 1   -6    1   59 o   98.165   9.8661   27.110   5.2088   24.226   7.3753   29.979   7.3576   92.738   14.718  103.593   13.144 -10.85521 19.73229 
1 1 1   -6    1   60 o  249.023   5.6835  169.939   7.6464  170.821   10.933  169.094   10.698  249.626   8.1052  248.420   7.9694 1.205475 11.36690 
1 1 1   -6    1   61 o  136.907   7.6882   52.017   5.6788   56.233   8.1906   48.114   7.8805  142.318   10.651  131.495   11.091 10.82249 15.37648 
1 1 1   -6    1   62 o  282.714   5.7440  219.399   8.7660  230.108   12.750  209.797   12.072  289.222   8.1579  276.205   8.0885 13.01761 11.48798 
1 1 1   -6    1   63 o  137.736   7.9059   53.488   5.8453   48.321   8.4496   58.230   8.0947  130.971   11.939  144.502   10.367 -13.53131 15.81175 
1 1 1   -6    1   64 o  234.820   5.9450  152.222   7.5364  153.894   10.923  150.704   10.411  235.952   8.5674  233.688   8.2446 2.263870 11.89007 
1 1 1   -6    1   65 o  219.045   6.2689  133.166   7.4159  134.802   10.697  131.652   10.290  220.258   8.9873  217.831   8.7422 2.426697 12.53785 
1 1 1   -6    1   66 o   33.989   11.375  -7.3665   5.6055 -10.6987   8.0821  -4.2779   7.7812   31.779   15.376   36.199   16.766 -4.419497 22.74914 
1 1 1   -6    1   67 o   83.085   13.997   22.462   6.2500   18.338   8.8654   26.537   8.8126   74.409   21.086   91.761   18.413 -17.35202 27.99372 
1 1 1   -6    1   68 o  157.679   8.0998   71.534   6.8919   71.730   10.010   71.357   9.5033  157.632   11.751  157.726   11.150 -0.9449768E-01 16.19951 
1 1 1   -6    1   69 o   76.959   14.740   20.904   6.2740   21.834   9.1475   20.078   8.6214   78.368   21.122   75.550   20.566 2.817841 29.48084 
1 1 1   -6    1   70 o  170.836   7.6630   85.272   7.0421   75.333   9.7923   95.919   10.135  159.926   11.331  181.746   10.319 -21.81978 15.32603 
1 1 1   -6    2    2 o  1299.23   15.460  4569.17  108.529  4612.11  154.918  4527.79  152.086  1305.21   21.965  1293.25   21.763 11.96216 30.92077 
1 1 1   -6    2    3 o  845.624   10.205  1933.79   46.633  1935.16   66.004  1932.42   65.893  845.923   14.440  845.326   14.425 0.5975952 20.41056 
1 1 1   -6    2    4 o  1162.32   13.871  3654.94   87.093  3713.69  125.171  3599.80  121.259  1171.35   19.776  1153.29   19.458 18.06775 27.74289 
1 1 1   -6    2    5 o  1373.18   16.327  5107.47  121.148  5093.50  170.871  5121.58  171.790  1371.30   23.059  1375.07   23.120 -3.765259 32.65372 
1 1 1   -6    2    6 o  714.903   8.7299  1381.83   33.724  1387.24   47.882  1376.51   47.506  716.289   12.371  713.517   12.321 2.772095 17.45979 
1 1 1   -6    2    7 o  417.896   5.4762  471.935   12.365  474.653   17.609  469.292   17.368  419.083   7.7758  416.710   7.7131 2.372864 10.95241 
1 1 1   -6    2    8 o  208.682   5.0279  117.672   5.6697   0.0000   0.0000  117.672   5.6697  ?   ?   208.682   5.0279      ?      ? 
1 1 1   -6    2    9 o  957.874   11.508  2481.44   59.564  2474.84   84.015  2488.10   84.461  956.596   16.253  959.152   16.296 -2.556274 23.01573 
1 1 1   -6    2   10 o  1476.68   17.535  5903.44  139.894  5970.76  200.161  5839.16  195.598  1484.88   24.946  1468.47   24.650 16.41626 35.07006 
1 1 1   -6    2   11 o  825.732  10.0000  1842.52   44.600  1876.89   64.245  1810.55   61.963  833.155   14.270  818.309   14.013 14.84656 19.99997 
1 1 1   -6    2   12 o  889.866   10.734  2140.98   51.604  2118.55   72.195  2164.41   73.789  885.107   15.095  894.625   15.264 -9.518250 21.46708 
1 1 1   -6    2   13 o  400.552   5.3459  433.156   11.563  422.079   15.999  445.270   16.731  395.197   7.4918  405.907   7.6281 -10.71005 10.69180 
1 1 1   -6    2   14 o  431.309   5.6648  502.766   13.202  503.996   18.727  501.551   18.616  431.833   8.0252  430.784   7.9972 1.048309 11.32960 
1 1 1   -6    2   15 o  467.336   6.0504  589.588   15.266  573.596   21.069  607.262   22.151  460.674   8.4639  473.997   8.6482 -13.32245 12.10078 
1 1 1   -6    2   16 o  202.156   3.7394  110.424   4.0834  106.571   5.7431  114.363   5.8072  198.589   5.3518  205.722   5.2239 -7.132446 7.478719 
1 1 1   -6    2   17 o  461.256   6.0090  575.106   14.977  571.731   21.072  578.552   21.290  459.889   8.4794  462.623   8.5165 -2.733765 12.01792 
1 1 1   -6    2   18 o  493.153   6.3518  657.523   16.925  663.300   24.141  651.939   23.735  495.281   9.0202  491.024   8.9453 4.256561 12.70361 
1 1 1   -6    2   19 o  606.226   7.5798  994.168   24.830  996.607   35.199  991.752   35.032  606.965   10.732  605.487   10.707 1.478516 15.15965 
1 1 1   -6    2   20 o  941.765   11.381  2403.11   57.915  2386.04   81.296  2420.71   82.528  938.379   16.032  945.150   16.159 -6.770874 22.76287 
1 1 1   -6    2   21 f  610.564   7.6424  1008.62   25.214  1009.81   35.706  1007.44   35.611  610.921   10.816  610.206   10.800 0.7156982 15.28476 
1 1 1   -6    2   22 o  312.263   5.6545  266.148   9.1064  255.180   15.206  272.282   11.371  307.160   9.1614  317.365   6.6305 -10.20572 11.30907 
1 1 1   -6    2   23 o  401.399   10.993  436.036   23.844  436.036   23.844   0.0000   0.0000  401.399   10.993  ?   ?       ?      ? 
1 1 1   -6    2   25 o  252.819   6.2367  172.889   8.5196  172.230   12.109  173.536   11.989  252.340   8.8804  253.299   8.7591 -0.9589233 12.47331 
1 1 1   -6    2   26 o  368.004   5.2282  366.156   10.397  363.634   14.668  368.703   14.738  366.730   7.4019  369.278   7.3857 -2.547974 10.45642 
1 1 1   -6    2   27 o  461.520   6.1186  575.982   15.258  571.205   21.448  580.878   21.711  459.583   8.6366  463.457   8.6694 -3.873413 12.23719 
1 1 1   -6    2   28 o  440.390   5.9257  524.043   14.095  512.793   19.581  536.142   20.306  435.490   8.3207  445.290   8.4392 -9.799469 11.85133 
1 1 1   -6    2   29 o  1192.66   14.313  3859.23   92.243  3876.53  131.052  3842.24  129.859  1195.30   20.290  1190.03   20.194 5.274292 28.62669 
1 1 1   -6    2   30 o  497.418   6.5424  669.029   17.585  667.016   24.811  671.061   24.928  496.667   9.2445  498.170   9.2603 -1.503021 13.08488 
1 1 1   -6    2   31 o  801.615   9.8333  1738.36   42.584  1763.06   61.060  1714.97   59.419  807.148   14.000  796.081   13.813 11.06732 19.66669 
1 1 1   -6    2   32 o  817.935   10.023  1810.39   44.301  1812.50   62.728  1808.28   62.574  818.411   14.184  817.460   14.166 0.9510498 20.04633 
1 1 1   -6    2   33 o  1254.28   15.036  4266.73  101.907  4251.18  143.558  4282.52  144.685  1251.99   21.220  1256.58   21.308 -4.585571 30.07181 
1 1 1   -6    2   34 o  998.113   12.076  2698.49   65.131  2691.25   91.894  2705.80   92.325  996.769   17.061  999.456   17.095 -2.687256 24.15187 
1 1 1   -6    2   35 o  781.928   9.6374  1654.62   40.720  1647.57   57.358  1661.77   57.818  780.253   13.604  783.603   13.655 -3.350220 19.27489 
1 1 1   -6    2   36 o  581.294   7.4891  913.936   23.524  916.716   33.382  911.193   33.154  582.171   10.611  580.417   10.571 1.753967 14.97825 
1 1 1   -6    2   37 f  553.893   7.2382  829.731   21.661  839.152   30.965  820.703   30.312  556.968   10.289  550.818   10.184 6.149719 14.47649 
1 1 1   -6    2   38 o  1022.96   12.405  2837.87   68.569  2833.13   96.845  2842.63   97.099  1022.10   17.535  1023.81   17.551 -1.708191 24.80939 
1 1 1   -6    2   39 o  480.873   6.6332  625.263   17.234  615.006   24.123  635.955   24.630  476.848   9.3618  484.898   9.3998 -8.050995 13.26648 
1 1 1   -6    2   40 o  623.971   8.0442  1053.52   27.118  1039.46   37.916  1068.23   38.801  619.717   11.323  628.224   11.430 -8.506226 16.08846 
1 1 1   -6    2   41 o  245.828   8.1543  163.429   10.832   0.0000   0.0000  163.429   10.832  ?   ?   245.828   8.1543      ?      ? 
1 1 1   -6    2   42 o  476.180   6.6549  613.576   17.124  616.404   24.306  610.789   24.128  477.268   9.4245  475.091   9.3983 2.176636 13.30981 
1 1 1   -6    2   43 o  396.209   6.1012  424.626   13.061  419.105   18.286  430.375   18.660  393.582   8.5981  398.835   8.6584 -5.252869 12.20231 
1 1 1   -6    2   44 f  462.164   6.5239  577.536   16.278  595.262   23.638  561.546   22.450  468.890   9.3292  455.438   9.1220 13.45157 13.04780 
1 1 1   -6    2   45 f  431.585   6.2674  504.096   14.611  512.244   21.015  496.472   20.327  434.951   8.9415  428.219   8.7846 6.732086 12.53477 
1 1 1   -6    2   46 o  437.304   6.3186  517.282   14.917  532.724   21.667  503.367   20.568  443.488   9.0414  431.120   8.8291 12.36761 12.63723 
1 1 1   -6    2   47 f  280.884   5.4884  213.687   8.3284  211.316   11.864  215.992   11.694  279.340   7.8596  282.429   7.6627 -3.089935 10.97681 
1 1 1   -6    2   48 o  101.446   9.4406   27.896   5.1474   29.200   7.7582   26.870   6.8798  103.524   13.869   99.368   12.813 4.155678 18.88129 
1 1 1   -6    2   49 o  137.823   7.5757   52.036   5.5961   46.764   8.1589   56.720   7.6902  131.116   11.516  144.531   9.8466 -13.41531 15.15142 
1 1 1   -6    2   50 o  164.785   6.6325   73.966   5.8865   67.485   8.3606   80.336   8.2893  157.565   9.8195  172.005   8.9185 -14.43977 13.26506 
1 1 1   -6    2   51 o  297.828   7.8272  241.009   12.581  255.180   18.328  228.378   17.302  306.085   11.081  289.570   11.058 16.51514 15.65430 
1 1 1   -6    2   52 o  234.296   12.319  150.113   15.596  150.113   15.596   0.0000   0.0000  234.296   12.319  ?   ?       ?      ? 
1 1 1   -6    2   53 o  205.221   12.224  115.383   13.556  115.383   13.556   0.0000   0.0000  205.221   12.224  ?   ?       ?      ? 
1 1 1   -6    2   54 o  144.582   10.277   57.753   8.0106   56.847   11.680   58.559   11.007  143.394   15.074  145.770   13.974 -2.375885 20.55471 
1 1 1   -6    2   55 o  252.004   6.9686  175.191   8.8770  169.031   15.445  178.229   10.848  248.127   11.520  255.882   7.8453 -7.754684 13.93729 
1 1 1   -6    2   56 o   54.549   13.085   6.3866   5.0918   13.502   7.4600   0.1807   6.9671   67.992   19.368   41.107   17.600 26.88468 26.17019 
1 1 1   -6    2   57 o  100.716   11.625   29.608   5.9163   31.788   7.5825   26.216   9.4590  107.062   13.107   94.370   19.202 12.69161 23.24903 
1 1 1   -6    2   58 o   69.117   12.484   13.683   5.1135   22.492   7.4166   5.7002   7.0599   87.950   16.203   50.284   18.996 37.66583 24.96783 
1 1 1   -6    2   59 o  132.453   7.7298   48.423   5.5227   52.630   8.0002   44.593   7.6333  137.994   10.729  126.913   11.131 11.08119 15.45956 
1 1 1   -6    2   60 o  173.020   6.4129   82.501   5.9750   80.535   8.7595   84.211   8.1710  170.944   9.4828  175.096   8.6359 -4.151825 12.82589 
1 1 1   -6    2   61 o  310.727   5.7407  264.932   9.6355  271.091   13.858  259.167   13.407  314.194   8.1622  307.260   8.0747 6.934784 11.48140 
1 1 1   -6    2   62 o  124.867   8.4452   43.660   5.6776   49.060   8.2446   38.788   7.8302  132.354   11.528  117.381   12.345 14.97277 16.89040 
1 1 1   -6    2   63 o  156.006   7.1538   67.786   6.0263   67.333   8.6708   68.209   8.3815  155.405   10.325  156.606   9.9043 -1.201706 14.30766 
1 1 1   -6    2   64 o   42.299   12.804   1.1018   5.2338  -0.2714   7.6662   2.3006   7.1629   41.096   18.020   43.501   18.196 -2.405609 25.60876 
1 1 1   -6    2   65 o  221.165   6.2559  135.847   7.4745  133.491   10.623  138.157   10.518  219.182   8.9696  223.148   8.7230 -3.965561 12.51176 
1 1 1   -6    2   66 o   69.744   13.940   15.934   5.7926   9.8229   8.2117   21.988   8.1724   56.767   20.661   82.720   18.720 -25.95259 27.88046 
1 1 1   -6    2   67 o   79.285   13.552   20.540   6.2425   11.183   9.0641   28.983   8.6100   60.162   21.736   98.407   16.191 -38.24538 27.10382 
1 1 1   -6    2   68 o   53.570   14.808   8.2689   6.2073   8.6116   9.0021   7.9583   8.5707   54.280   21.203   52.861   20.678 1.418724 29.61695 
1 1 1   -6    2   69 o  116.651   10.264   41.330   6.4607   41.593   9.3861   41.093   8.9064  116.667   14.889  116.635   14.131 0.3179169E-01 20.52715 
1 1 1   -6    2   70 o   80.794   14.257   23.857   6.3224   18.848   9.2021   28.336   8.7014   70.306   21.884   91.282   18.278 -20.97624 28.51312 
1 1 1   -6    3    1 o  1484.64   17.640  5971.79  141.495  6028.54  202.119  5917.24  198.148  1491.54   25.078  1477.75   24.814 13.78735 35.27934 
1 1 1   -6    3    2 o  838.825   10.151  1902.77   46.009  1889.27   64.603  1916.67   65.540  835.808   14.304  841.841   14.407 -6.033203 20.30223 
1 1 1   -6    3    3 o  1410.15   16.762  5386.89  127.725  5412.85  181.570  5361.46  179.706  1413.51   23.772  1406.80   23.640 6.706055 33.52491 
1 1 1   -6    3    4 o  451.283   5.8494  550.352   14.262  554.813   20.358  546.051   19.988  453.078   8.3151  449.487   8.2292 3.590179 11.69877 
1 1 1   -6    3    5 o  1852.84   21.975  9316.70  220.011  9327.20  311.510  9306.24  310.776  1853.87   31.096  1851.80   31.057 2.073975 43.94905 
1 1 1   -6    3    6 o  1158.97   13.840  3634.89   86.669  3660.02  123.456  3610.47  121.699  1162.92   19.646  1155.03   19.499 7.883423 27.67978 
1 1 1   -6    3    7 o  899.435   10.846  2187.62   52.713  2173.66   74.073  2201.94   75.031  896.531   15.290  902.340   15.388 -5.808472 21.69275 
1 1 1   -6    3    8 o  1587.82   18.837  6829.60  161.620  6797.04  227.410  6862.82  229.739  1584.01   26.568  1591.63   26.712 -7.623047 37.67498 
1 1 1   -6    3    9 o  1143.26   13.661  3535.16   84.372  3581.90  120.915  3490.80  117.786  1150.61   19.448  1135.90   19.190 14.70679 27.32118 
1 1 1   -6    3   10 o  507.996   6.4612  697.447   17.736  698.658   25.127  696.245   25.039  508.436   9.1456  507.557   9.1293 0.8786316 12.92235 
1 1 1   -6    3   11 o  1104.17   13.201  3298.27   78.758  3277.94  110.653  3319.15  112.122  1100.73   18.604  1107.61   18.733 -6.887817 26.40129 
1 1 1   -6    3   12 o  1245.25   14.849  4197.35   99.916  4217.98  142.043  4177.14  140.574  1248.28   21.058  1242.23   20.942 6.045166 29.69866 
1 1 1   -6    3   13 o  348.044   4.8491  327.302   9.1187  330.854   13.020  323.882   12.775  349.897   6.8862  346.191   6.8292 3.705933 9.698289 
1 1 1   -6    3   14 o  834.458   10.124  1883.30   45.650  1886.18   64.717  1880.45   64.400  835.091   14.342  833.825   14.293 1.266846 20.24784 
1 1 1   -6    3   15 o  796.007   9.6902  1713.65   41.681  1716.39   59.089  1710.92   58.803  796.641   13.726  795.374   13.682 1.267090 19.38047 
1 1 1   -6    3   16 o  679.806   8.3888  1248.59   30.795  1220.56   42.616  1279.21   44.550  671.835   11.739  687.776   11.987 -15.94092 16.77759 
1 1 1   -6    3   17 f  402.685   5.4249  438.309   11.804  441.307   16.801  435.387   16.587  404.044   7.6953  401.326   7.6485 2.717957 10.84973 
1 1 1   -6    3   18 o  340.467   4.8458  313.327   8.9146  314.913   12.692  311.783   12.524  341.317   6.8815  339.618   6.8243 1.699341 9.691586 
1 1 1   -6    3   19 o  608.765   7.6191  1002.51   25.063  997.059   35.258  1008.08   35.632  607.093   10.748  610.437   10.802 -3.343506 15.23819 
1 1 1   -6    3   20 o  346.219   4.9229  323.965   9.2088  318.870   12.900  329.261   13.150  343.444   6.9510  348.994   6.9730 -5.550323 9.845772 
1 1 1   -6    3   21 o  177.558   3.9454   85.243   3.7841   83.196   5.3754   87.254   5.3280  175.443   5.6700  179.673   5.4877 -4.229492 7.890769 
1 1 1   -6    3   22 o  331.708   6.7681  297.632   12.131  298.198   17.198  297.072   17.114  332.021   9.5859  331.394   9.5572 0.6263733 13.53625 
1 1 1   -6    3   24 o  1257.23   30.408  4328.83  206.585  4328.83  206.585   0.0000   0.0000  1257.23   30.408  ?   ?       ?      ? 
1 1 1   -6    3   25 o  410.552   6.9165  457.964   14.479  450.000   24.921  462.022   17.789  407.756   11.310  413.347   7.9643 -5.591766 13.83292 
1 1 1   -6    3   26 o  158.255   4.3169   67.820   3.6815   65.840   5.3628   69.585   5.0629  156.063   6.3593  160.447   5.8396 -4.384506 8.633699 
1 1 1   -6    3   27 o  698.175   8.6592  1319.36   32.668  1321.81   46.287  1316.93   46.114  698.820   12.257  697.531   12.234 1.288452 17.31832 
1 1 1   -6    3   28 f  654.933   8.1819  1160.29   28.951  1147.04   40.491  1174.15   41.411  651.114   11.508  658.752   11.633 -7.637939 16.36382 
1 1 1   -6    3   29 o  476.770   6.3223  614.632   16.288  611.913   22.965  617.384   23.105  475.709   8.9337  477.830   8.9484 -2.121033 12.64456 
1 1 1   -6    3   30 o  306.096   4.8784  253.184   8.0679  258.149   11.524  248.410   11.299  309.039   6.9008  303.154   6.8974 5.885193 9.756799 
1 1 1   -6    3   31 o  572.946   7.3350  887.409   22.704  875.369   31.702  900.086   32.531  568.960   10.311  576.931   10.435 -7.970764 14.67000 
1 1 1   -6    3   32 o  225.034   4.6610  136.885   5.6670  135.630   8.0590  138.113   7.9703  224.012   6.6576  226.055   6.5249 -2.042908 9.321925 
1 1 1   -6    3   33 o  423.107   5.8625  483.582   13.398  471.089   18.612  497.017   19.301  417.441   8.2510  428.773   8.3305 -11.33139 11.72496 
1 1 1   -6    3   34 o  315.939   5.1015  269.706   8.7077  262.910   12.181  276.806   12.452  311.871   7.2282  320.008   7.2011 -8.136627 10.20310 
1 1 1   -6    3   35 o  252.727   4.8792  172.584   6.6620  175.652   9.5371  169.660   9.3100  254.920   6.9235  250.535   6.8769 4.384720 9.758382 
1 1 1   -6    3   36 o  447.148   6.1916  540.601   14.960  537.133   21.067  544.128   21.247  445.702   8.7474  448.594   8.7650 -2.891968 12.38312 
1 1 1   -6    3   37 o  504.863   6.7652  688.856   18.447  673.214   25.586  705.784   26.619  498.905   9.4908  510.822   9.6435 -11.91705 13.53039 
1 1 1   -6    3   38 o  750.459   9.3427  1524.82   37.887  1523.74   53.581  1525.90   53.578  750.192   13.218  750.726   13.207 -0.5338745 18.68531 
1 1 1   -6    3   39 o  277.753   5.5024  208.370   8.2508  196.135   11.480  221.441   11.866  269.327   7.8885  286.180   7.6732 -16.85336 11.00479 
1 1 1   -6    3   40 f  942.229   11.505  2407.40   58.577  2402.04   82.690  2412.80   82.991  941.177   16.259  943.279   16.282 -2.102051 23.00977 
1 1 1   -6    3   41 o  195.340   6.4599  103.192   6.8169   99.844   9.5602  106.655   9.7229  192.116   9.2091  198.564   9.0617 -6.448074 12.91980 
1 1 1   -6    3   42 f  603.763   7.8425  987.082   25.586  983.768   36.123  990.418   36.247  602.747   11.091  604.780   11.091 -2.033752 15.68503 
1 1 1   -6    3   43 o  228.996   5.8212  141.759   7.1987  134.762   10.043  149.152   10.324  223.186   8.3273  234.807   8.1366 -11.62148 11.64249 
1 1 1   -6    3   44 f  428.771   6.2387  497.672   14.455  494.382   20.382  501.000   20.502  427.345   8.8262  430.197   8.8197 -2.851288 12.47750 
1 1 1   -6    3   45 o  126.739   8.1964   43.515   5.6104   45.362   8.0765   41.792   7.7994  129.337   11.556  124.141   11.627 5.196136 16.39288 
1 1 1   -6    3   46 o  960.437   11.777  2514.04   61.122  2520.20   86.692  2507.97   86.190  961.591   16.684  959.283   16.627 2.308167 23.55479 
1 1 1   -6    3   47 f  169.882   6.6051   77.994   6.0538   83.238   8.8577   73.397   8.2929  175.223   9.3549  164.541   9.3270 10.68190 13.21016 
1 1 1   -6    3   48 o  369.375   5.8378  369.329   11.642  380.007   16.889  359.658   16.072  374.445   8.3468  364.306   8.1640 10.13901 11.67564 
1 1 1   -6    3   49 o  160.923   6.7553   70.049   5.8633   75.519   8.5921   65.281   8.0213  166.783   9.5337  155.062   9.5731 11.72078 13.51056 
1 1 1   -6    3   50 o  189.108   7.3073   93.231   7.0713  109.820   12.555   85.524   8.5576  200.751   11.574  177.465   8.9239 23.28670 14.61465 
1 1 1   -6    3   51 o  269.659   10.966  198.063   15.979  198.063   15.979   0.0000   0.0000  269.659   10.966  ?   ?       ?      ? 
1 1 1   -6    3   52 o  459.904   13.222  579.730   32.859  579.730   32.859   0.0000   0.0000  459.904   13.222  ?   ?       ?      ? 
1 1 1   -6    3   53 o  191.581   9.0219   99.568   9.2186  124.685   13.782   79.234   12.401  213.379   11.953  169.783   13.517 43.59651 18.04381 
1 1 1   -6    3   54 o  388.977   8.6496  414.939   18.172  422.297   26.189  408.108   25.235  392.240   12.356  385.714   12.107 6.525360 17.29917 
1 1 1   -6    3   55 o  247.311   5.6345  166.691   7.5232  162.863   10.787  170.317   10.498  244.495   8.1648  250.126   7.7670 -5.631271 11.26893 
1 1 1   -6    3   56 o  215.902   7.1288  128.652   7.8202  124.978   13.493  130.511   9.5965  213.029   11.721  218.774   8.1176 -5.744873 14.25765 
1 1 1   -6    3   57 o  407.269   7.5979  456.707   15.845  457.620   19.538  454.955   27.083  409.039   8.8395  405.498   12.360 3.541931 15.19576 
1 1 1   -6    3   58 o   81.969   13.808   19.663   5.9108   17.882   7.5297   22.523   9.5414   77.568   18.266   86.369   20.711 -8.801712 27.61551 
1 1 1   -6    3   59 o  163.574   6.6748   73.442   5.8878   76.154   8.6625   71.114   8.0271  166.311   9.6390  160.837   9.2360 5.473938 13.34968 
1 1 1   -6    3   60 o   76.226   12.523   17.241   5.1433   23.134   7.5358   12.102   7.0371   88.749   16.315   63.702   19.003 25.04676 25.04608 
1 1 1   -6    3   61 o  162.561   6.8990   73.093   6.0591   71.161   8.5228   75.067   8.6155  160.359   9.8357  164.763   9.6769 -4.404068 13.79792 
1 1 1   -6    3   62 o   78.661   12.429   18.531   5.3487   25.194   7.7181   12.374   7.4192   93.567   15.265   63.754   19.618 29.81276 24.85730 
1 1 1   -6    3   63 o  101.607   10.121   29.337   5.5252   34.015   8.2195   25.480   7.4630  109.082   13.945   94.133   14.672 14.94883 20.24129 
1 1 1   -6    3   64 o   58.576   13.915   9.6138   5.3421   14.588   8.0747   5.7420   7.1240   67.985   20.373   49.167   18.957 18.81738 27.82902 
1 1 1   -6    3   65 o  156.780   7.6104   69.325   6.4243   66.880   9.3807   71.485   8.8162  153.861   11.283  159.699   10.216 -5.838089 15.22087 
1 1 1   -6    3   66 o   79.918   11.909   19.665   5.9737   38.629   8.6983   2.7367   8.2183  114.592   14.047   45.243   19.236 69.34894 23.81888 
1 1 1   -6    3   67 o  146.492   8.4067   60.874   6.6141   70.990   9.7738   52.329   8.9835  157.926   11.453  135.059   12.309 22.86734 16.81349 
1 1 1   -6    3   68 o   48.943   13.603   3.8792   5.9433   13.213   8.6307  -4.5387   8.1964   61.664   21.304   36.221   16.921 25.44330 27.20651 
1 1 1   -6    3   69 o   44.865   13.463   2.6133   5.9432  -2.5734   8.6905   7.1699   8.1457   39.124   17.976   50.606   20.046 -11.48228 26.92507 
1 1 1   -6    3   70 o  148.348   8.3992   65.567   6.7154   66.318   9.8704   64.920   9.1629  148.650   12.288  148.046   11.454 0.6038055 16.79833 
1 1 1   -6    4    2 o  622.440   7.7220  1047.17   25.970  1037.45   36.405  1057.25   37.057  619.500   10.875  625.379   10.966 -5.879456 15.44404 
1 1 1   -6    4    3 o  878.239   10.611  2085.93   50.358  2089.61   71.382  2082.28   71.054  879.010   15.028  877.469   14.985 1.541016 21.22286 
1 1 1   -6    4    4 o  450.455   5.8772  548.080   14.300  558.237   20.588  538.614   19.876  454.483   8.3833  446.426   8.2393 8.057526 11.75440 
1 1 1   -6    4    6 o  1504.11   17.861  6126.88  145.163  6159.04  206.428  6095.42  204.174  1508.01   25.332  1500.22   25.186 7.788940 35.72202 
1 1 1   -6    4    7 o  1679.79   19.923  7642.82  180.775  7760.12  259.795  7532.71  251.707  1692.24   28.411  1667.34   27.937 24.89868 39.84523 
1 1 1   -6    4    8 o  1801.28   21.353  8795.55  207.837  8816.82  294.702  8774.51  293.156  1803.43   30.241  1799.12   30.154 4.315063 42.70603 
1 1 1   -6    4    9 o  1237.17   14.749  4141.86   98.595  4116.16  138.557  4168.21  140.329  1233.29   20.791  1241.05   20.925 -7.759521 29.49807 
1 1 1   -6    4   10 o  441.235   5.7824  526.116   13.786  529.538   19.620  522.779   19.375  442.651   8.2027  439.818   8.1525 2.833496 11.56489 
1 1 1   -6    4   11 o  443.384   5.8045  531.305   13.907  529.816   19.649  532.800   19.685  442.761   8.2128  444.007   8.2047 -1.245453 11.60891 
1 1 1   -6    4   12 o  824.426   10.010  1836.33   44.562  1794.11   61.593  1882.70   64.550  814.502   13.994  834.350   14.317 -19.84802 20.02068 
1 1 1   -6    4   13 o  922.267   11.126  2301.02   55.448  2301.15   78.423  2300.89   78.407  922.293   15.736  922.241   15.733 0.5236816E-01 22.25213 
1 1 1   -6    4   14 o  154.317   3.7552   64.381   3.1285   61.024   4.4157   67.765   4.4330  150.275   5.4379  158.359   5.1804 -8.084671 7.510465 
1 1 1   -6    4   15 o  613.700   7.6586  1017.44   25.382  994.872   35.162  1042.00   36.678  606.603   10.727  620.797   10.934 -14.19373 15.31730 
1 1 1   -6    4   16 o  1199.64   14.355  3900.67   93.041  3862.13  130.280  3940.78  132.920  1193.61   20.199  1205.66   20.402 -12.05237 28.70961 
1 1 1   -6    4   17 o  392.942   5.3461  417.322   11.350  411.216   15.901  423.664   16.206  390.013   7.5452  395.871   7.5758 -5.858215 10.69219 
1 1 1   -6    4   18 o  520.002   6.6615  731.269   18.718  728.057   26.400  734.516   26.543  518.854   9.4161  521.150   9.4255 -2.296143 13.32306 
1 1 1   -6    4   19 o  500.763   6.4665  678.012   17.496  669.089   24.496  687.305   24.997  497.402   9.1137  504.124   9.1763 -6.722229 12.93303 
1 1 1   -6    4   20 o  718.596   8.8506  1397.53   34.363  1382.45   48.110  1413.23   49.097  714.646   12.458  722.546   12.575 -7.899597 17.70128 
1 1 1   -6    4   21 o  270.163   6.0072  197.270   8.7672  192.590   12.222  202.230   12.583  266.865   8.4755  273.460   8.5155 -6.595947 12.01445 
1 1 1   -6    4   22 o  233.829   8.2324  147.860   10.402  147.860   10.402   0.0000   0.0000  233.829   8.2324  ?   ?       ?      ? 
1 1 1   -6    4   23 o  290.101   9.8053  227.703   15.371  227.703   15.371   0.0000   0.0000  290.101   9.8053  ?   ?       ?      ? 
1 1 1   -6    4   24 o  893.812   15.442  2172.35   74.563  2202.48  107.011  2143.92  103.951  899.787   22.009  887.838   21.667 11.94885 30.88482 
1 1 1   -6    4   25 o  743.562   11.325  1483.24   42.230  1540.77   76.053  1457.59   50.777  753.424   18.681  733.700   12.807 19.72400 22.64930 
1 1 1   -6    4   26 o  631.914   7.9239  1080.35   27.053  1067.35   37.836  1093.96   38.695  628.029   11.149  635.799   11.263 -7.769775 15.84781 
1 1 1   -6    4   27 o  319.459   4.8647  275.617   8.3920  282.779   12.140  269.063   11.614  323.428   6.9464  315.490   6.8123 7.938110 9.729316 
1 1 1   -6    4   28 o  389.160   5.4776  409.021   11.512  397.323   15.955  421.725   16.627  383.363   7.7020  394.957   7.7907 -11.59427 10.95519 
1 1 1   -6    4   29 o  577.883   7.3669  903.191   23.004  899.224   32.397  907.225   32.669  576.604   10.398  579.161   10.439 -2.557373 14.73377 
1 1 1   -6    4   30 o  1102.00   13.266  3290.85   78.991  3274.21  111.127  3307.86  112.303  1099.19   18.709  1104.81   18.811 -5.615723 26.53118 
1 1 1   -6    4   31 o  116.782   5.8172   36.867   3.6708   36.809   5.2070   36.925   5.1758  116.689   8.2578  116.874   8.1955 -0.1850433 11.63433 
1 1 1   -6    4   32 o  863.455   10.538  2018.02   49.169  2015.13   69.458  2020.92   69.613  862.837   14.897  864.073   14.909 -1.235779 21.07626 
1 1 1   -6    4   33 o  503.771   6.6555  685.996   18.114  675.656   25.309  696.854   25.937  499.882   9.3697  507.660   9.4548 -7.777496 13.31108 
1 1 1   -6    4   34 o  799.558   9.8384  1730.20   42.507  1733.56   60.253  1726.88   59.976  800.327   13.932  798.789   13.895 1.538513 19.67679 
1 1 1   -6    4   35 o  379.498   5.6274  388.613   11.526  404.094   16.807  374.865   15.838  386.618   8.0449  372.378   7.8709 14.24026 11.25488 
1 1 1   -6    4   36 o  382.216   5.6717  394.992   11.714  391.196   16.579  398.776   16.552  380.380   8.0659  384.051   7.9757 -3.670776 11.34331 
1 1 1   -6    4   37 o  527.565   7.0041  751.894   19.948  774.748   28.985  731.327   27.497  535.164   10.023  519.966   9.7863 15.19824 14.00817 
1 1 1   -6    4   38 o  809.705   10.007  1775.58   43.784  1777.97   62.021  1773.20   61.818  810.246   14.166  809.163   14.138 1.083313 20.01372 
1 1 1   -6    4   39 f  837.502   10.331  1900.42   46.753  1895.35   66.016  1905.52   66.222  836.382   14.607  838.622   14.613 -2.239502 20.66169 
1 1 1   -6    4   40 o  961.640   11.763  2507.93   61.122  2515.17   86.707  2500.79   86.174  963.012   16.662  960.267   16.607 2.744934 23.52502 
1 1 1   -6    4   41 o  623.768   8.0857  1053.30   27.252  1041.86   38.274  1065.07   38.812  620.334   11.418  627.202   11.452 -6.867676 16.17140 
1 1 1   -6    4   42 o  281.631   5.7023  214.487   8.6766  218.427   12.403  210.710   12.142  284.163   8.0774  279.099   8.0512 5.063812 11.40462 
1 1 1   -6    4   43 o  467.105   6.5604  590.452   16.557  596.668   23.627  584.453   23.210  469.517   9.3124  464.693   9.2430 4.824707 13.12075 
1 1 1   -6    4   44 o  473.955   6.6378  608.162   16.996  614.813   24.354  601.846   23.730  476.473   9.4590  471.438   9.3150 5.034912 13.27561 
1 1 1   -6    4   45 o  465.514   6.5561  586.669   16.486  596.229   23.686  577.685   22.961  469.183   9.3424  461.846   9.2006 7.336823 13.11226 
1 1 1   -6    4   46 o  692.124   8.7909  1300.88   32.876  1306.69   46.804  1295.23   46.190  693.633   12.487  690.614   12.377 3.018372 17.58188 
1 1 1   -6    4   47 o  144.844   7.3423   57.256   5.7129   51.380   8.2116   62.769   7.9531  137.559   11.047  152.130   9.6745 -14.57190 14.68459 
1 1 1   -6    4   48 o  321.605   5.6591  280.099   9.8277  284.963   14.215  275.646   13.602  324.265   8.1126  318.946   7.8923 5.319153 11.31827 
1 1 1   -6    4   49 f   56.654   13.719   7.8114   5.0655   10.540   7.7216   5.7497   6.7116   62.480   20.123   50.829   18.652 11.65114 27.43716 
1 1 1   -6    4   50 o  149.874   10.003   61.401   8.0957   58.288   11.262   64.730   11.645  145.929   14.282  153.819   14.011 -7.889435 20.00700 
1 1 1   -6    4   51 o  274.720   10.921  205.631   16.212  205.631   16.212   0.0000   0.0000  274.720   10.921  ?   ?       ?      ? 
1 1 1   -6    4   52 o  270.579   8.2035  198.931   11.955  179.369   16.255  221.982   17.645  256.136   11.744  285.022   11.457 -28.88647 16.40692 
1 1 1   -6    4   53 o  354.393   8.3428  342.191   15.911  362.162   23.830  326.126   21.373  363.542   12.131  345.244   11.457 18.29880 16.68555 
1 1 1   -6    4   54 o  202.953   8.7060  113.028   9.5222  114.144   14.016  112.072   12.977  203.770   12.729  202.136   11.880 1.634369 17.41203 
1 1 1   -6    4   55 o  152.408   6.9923   64.428   5.6684   52.790   8.1579   75.293   7.8819  138.714   10.884  166.102   8.7815 -27.38899 13.98455 
1 1 1   -6    4   56 o  220.417   5.9637  132.187   7.0824  137.807   10.503  127.501   9.5909  224.642   8.6524  216.192   8.2098 8.449432 11.92750 
1 1 1   -6    4   57 o  120.707   10.089   40.530   6.2002   41.126   10.754   40.234   7.5883  120.716   16.486  120.698   11.635 0.1818848E-01 20.17839 
1 1 1   -6    4   58 o   59.682   14.697   9.7454   5.8516   11.322   7.6519   7.5248   9.0814   62.582   20.019   56.782   21.523 5.800552 29.39321 
1 1 1   -6    4   59 o   83.942   11.742   20.671   5.1308   22.274   7.5150   19.271   7.0221   87.061   16.580   80.823   16.633 6.237473 23.48486 
1 1 1   -6    4   60 o   52.855   13.400   7.1286   4.9969   4.1230   7.2939   9.7867   6.8595   47.480   18.918   58.231   18.983 -10.75132 26.80014 
1 1 1   -6    4   61 o  360.431   5.9903  356.996   11.655  367.299   16.956  347.769   16.047  365.262   8.5905  355.600   8.3510 9.661926 11.98064 
1 1 1   -6    4   62 o  295.281   5.8292  240.167   9.2976  239.576   13.324  240.728   12.980  294.845   8.3629  295.717   8.1229 -0.8721008 11.65849 
1 1 1   -6    4   63 o   57.345   12.815   8.6043   5.2968  -0.8457   7.7809   16.766   7.2309   40.825   18.019   73.865   18.228 -33.03913 25.63053 
1 1 1   -6    4   64 f   58.286   13.314   9.6802   5.3437   2.4880   7.7954   16.056   7.3394   44.980   18.908   71.592   18.749 -26.61272 26.62801 
1 1 1   -6    4   65 o  126.503   9.0855   45.722   6.1965   50.174   9.0428   41.781   8.5079  132.406   12.639  120.599   13.055 11.80637 18.17107 
1 1 1   -6    4   66 o  213.911   6.4830  128.210   7.4701  128.769   11.014  127.734   10.166  214.039   9.5225  213.783   8.8000 0.2561646 12.96605 
1 1 1   -6    4   67 o  114.967   10.385   38.905   6.4313   37.938   9.3869   39.760   8.8292  113.192   15.347  116.741   13.996 -3.549332 20.77061 
1 1 1   -6    4   68 o  118.438   9.9770   42.586   6.3500   44.355   9.5542   41.186   8.4988  120.029   14.731  116.848   13.460 3.180099 19.95404 
1 1 1   -6    4   69 o  215.871   6.5787  130.152   7.6025  157.536   11.520  109.020   10.119  235.973   9.0341  195.769   9.5657 40.20386 13.15741 
1 1 1   -6    4   70 o   71.555   14.809   18.932   6.1669   23.762   9.1622   14.931   8.3385   80.079   20.937   63.032   20.949 17.04758 29.61799 
1 1 1   -6    5    1 o  1439.65   17.129  5611.15  133.234  5663.48  190.359  5560.90  186.541  1446.21   24.359  1433.09   24.089 13.12256 34.25795 
1 1 1   -6    5    2 f  1405.73   16.724  5349.26  127.020  5299.87  177.913  5400.62  181.404  1399.13   23.532  1412.33   23.770 -13.20654 33.44790 
1 1 1   -6    5    3 o  1576.93   18.723  6735.88  159.542  6709.96  224.718  6762.21  226.547  1573.88   26.423  1579.98   26.535 -6.098633 37.44678 
1 1 1   -6    5    4 o  1528.28   18.155  6325.04  149.919  6373.90  213.747  6277.72  210.329  1534.07   25.785  1522.48   25.566 11.58691 36.31076 
1 1 1   -6    5    5 o  358.051   7.0164  346.437   13.575   0.0000   0.0000  346.437   13.575  ?   ?   358.051   7.0164      ?      ? 
1 1 1   -6    5    6 o  1444.44   17.172  5649.36  134.033  5662.16  190.063  5636.70  189.045  1446.07   24.323  1442.82   24.247 3.244385 34.34465 
1 1 1   -6    5    7 o  536.159   6.8019  775.698   19.683  801.435   28.704  752.856   27.041  544.537   9.7550  527.781   9.4817 16.75610 13.60378 
1 1 1   -6    5    8 f  839.323   10.179  1904.88   46.167  1907.24   65.402  1902.53   65.178  839.841   14.411  838.806   14.380 1.034729 20.35847 
1 1 1   -6    5    9 o  368.877   5.0977  367.720   10.161  367.637   14.408  367.802   14.332  368.836   7.2292  368.919   7.1893 -0.8312988E-01 10.19547 
1 1 1   -6    5   10 o  844.201   10.242  1926.89   46.711  1950.33   66.887  1904.57   65.263  849.206   14.576  839.195   14.392 10.01111 20.48371 
1 1 1   -6    5   11 o  483.721   6.2594  631.630   16.346  650.123   23.751  614.991   22.530  490.436   8.9623  477.005   8.7406 13.43097 12.51883 
1 1 1   -6    5   12 o  1176.51   14.066  3747.01   89.417  3718.28  125.469  3776.66  127.465  1171.94   19.813  1181.08   19.972 -9.145996 28.13235 
1 1 1   -6    5   13 o  665.190   8.2342  1196.36   29.598  1196.63   41.907  1196.11   41.808  665.262   11.657  665.119   11.632 0.1434937 16.46845 
1 1 1   -6    5   14 f  499.933   6.4388  675.615   17.394  673.248   24.557  677.998   24.642  499.054   9.1061  500.811   9.1056 -1.757324 12.87758 
1 1 1   -6    5   15 o  399.326   5.4223  430.826   11.697  421.851   16.305  440.343   16.791  395.044   7.6379  403.608   7.6987 -8.564362 10.84470 
1 1 1   -6    5   16 o  819.739   9.9957  1817.99   44.253  1782.07   61.389  1856.85   63.851  811.331   14.002  828.147   14.268 -16.81677 19.99135 
1 1 1   -6    5   17 o  1179.51   14.143  3774.91   90.139  3751.58  126.702  3798.82  128.265  1175.83   19.941  1183.18   20.062 -7.349609 28.28640 
1 1 1   -6    5   18 o  493.668   6.4040  659.062   17.083  660.419   24.238  657.722   24.081  494.172   9.0769  493.164   9.0363 1.008026 12.80801 
1 1 1   -6    5   19 o  735.029   9.0561  1462.36   35.966  1447.69   50.468  1477.50   51.270  731.288   12.771  738.770   12.843 -7.482178 18.11217 
1 1 1   -6    5   20 o  332.268   6.7705  298.504   12.152  303.378   17.455  293.919   16.929  334.897   9.6456  329.640   9.5038 5.256897 13.54106 
1 1 1   -6    5   21 o  552.411   9.9524  818.267   29.482  763.063   38.897  892.793   45.195  530.790   13.562  574.033   14.570 -43.24249 19.90490 
1 1 1   -6    5   23 o  677.703   11.982  1245.72   43.868  1228.15   61.284  1264.19   62.823  672.818   16.856  682.588   17.032 -9.769836 23.96309 
1 1 1   -6    5   24 o  604.364   9.3393  1001.00   29.209  946.847   48.217  1032.40   36.713  591.078   15.096  617.649   11.000 -26.57025 18.67862 
1 1 1   -6    5   25 o  455.360   6.0750  560.464   14.944  548.599   20.818  573.078   21.464  450.393   8.5537  460.328   8.6289 -9.935059 12.15003 
1 1 1   -6    5   26 o  644.859   8.0757  1125.08   28.137  1113.00   39.434  1137.62   40.161  641.335   11.379  648.383   11.463 -7.047424 16.15137 
1 1 1   -6    5   27 o  1072.32   12.921  3117.54   74.870  3100.40  105.303  3135.06  106.470  1069.35   18.224  1075.29   18.324 -5.940063 25.84293 
1 1 1   -6    5   28 f  389.991   5.5145  411.147   11.620  413.836   16.556  408.537   16.313  391.247   7.8312  388.736   7.7660 2.510712 11.02896 
1 1 1   -6    5   29 o  1179.23   14.162  3770.67   90.238  3757.44  127.138  3784.10  128.099  1177.15   19.987  1181.30   20.068 -4.152466 28.32321 
1 1 1   -6    5   30 o  1032.91   12.464  2889.80   69.567  2881.83   98.140  2897.85   98.628  1031.48   17.607  1034.34   17.646 -2.858154 24.92804 
1 1 1   -6    5   31 o  1537.74   18.352  6422.52  152.491  6414.77  215.346  6430.32  215.965  1536.82   25.931  1538.67   25.975 -1.848267 36.70316 
1 1 1   -6    5   32 o  635.984   8.0398  1093.79   27.626  1080.37   38.670  1107.77   39.480  632.004   11.323  639.963   11.417 -7.959106 16.07956 
1 1 1   -6    5   33 o  232.028   4.8621  145.511   6.0959  144.551   8.5806  146.490   8.6617  231.255   6.8666  232.801   6.8854 -1.545929 9.724146 
1 1 1   -6    5   34 o  1471.12   17.589  5878.79  139.806  5827.62  195.927  5931.88  199.553  1464.64   24.756  1477.61   24.993 -12.96680 35.17780 
1 1 1   -6    5   35 o  181.910   5.4890   89.404   5.3864   90.390   7.8695   88.534   7.3882  182.851   7.9645  180.969   7.5552 1.881210 10.97794 
1 1 1   -6    5   36 o  934.811   11.403  2365.79   57.558  2312.36   79.579  2424.40   83.352  923.786   15.942  945.836   16.308 -22.05035 22.80586 
1 1 1   -6    5   37 o  865.781   10.629  2030.08   49.715  2001.17   69.355  2060.62   71.301  859.460   14.934  872.102   15.130 -12.64148 21.25857 
1 1 1   -6    5   38 o  505.020   6.8814  689.608   18.775  677.066   26.218  702.810   26.898  500.310   9.6979  509.729   9.7656 -9.418823 13.76282 
1 1 1   -6    5   39 o  748.580   9.3684  1517.67   37.895  1517.74   53.681  1517.59   53.504  748.595   13.270  748.564   13.227 0.3155518E-01 18.73673 
1 1 1   -6    5   40 o  388.669   8.6395  408.573   18.145   0.0000   0.0000  408.573   18.145  ?   ?   388.669   8.6395      ?      ? 
1 1 1   -6    5   41 o  292.905   5.6890  232.095   9.0019  225.846   12.723  238.359   12.739  288.952   8.1483  296.858   7.9412 -7.905273 11.37791 
1 1 1   -6    5   42 o  122.088   8.5546   40.398   5.6392   39.868   8.1071   40.894   7.8493  121.305   12.368  122.871   11.822 -1.566414 17.10926 
1 1 1   -6    5   43 o  165.693   6.8453   74.299   6.1221   79.285   8.7645   69.547   8.5552  171.127   9.4781  160.259   9.8792 10.86758 13.69057 
1 1 1   -6    5   44 o  234.126   5.8357  148.190   7.3785  154.680   10.646  142.190   10.236  239.053   8.2411  229.198   8.2649 9.855255 11.67148 
1 1 1   -6    5   45 o  390.485   6.0216  412.621   12.702  399.690   17.737  426.233   18.198  384.206   8.5435  396.764   8.4880 -12.55762 12.04315 
1 1 1   -6    5   46 o  175.193   6.5272   83.359   6.1619   76.465   8.7374   90.180   8.6913  167.948   9.6276  182.438   8.8162 -14.48978 13.05439 
1 1 1   -6    5   47 o  145.927   7.4668   57.553   5.8723   61.308   8.7011   54.411   7.9578  150.270   10.716  141.585   10.401 8.684784 14.93359 
1 1 1   -6    5   48 o  302.755   5.6147  248.052   9.1719  254.788   13.409  242.130   12.573  306.594   8.0935  298.917   7.7842 7.677307 11.22941 
1 1 1   -6    5   49 o  222.988   8.0884  134.777   9.7232  146.194   14.333  125.045   13.234  231.694   11.448  214.283   11.429 17.41011 16.17680 
1 1 1   -6    5   50 o  587.596   15.507  947.297   49.236  947.297   49.236   0.0000   0.0000  587.596   15.507  ?   ?       ?      ? 
1 1 1   -6    5   51 o  251.455   8.4157  174.279   11.296  160.000   16.918  185.766   15.174  241.831   12.946  261.080   10.756 -19.24896 16.83132 
1 1 1   -6    5   52 o  177.076   9.3285   84.629   8.8517   99.167   13.574   73.874   11.676  190.083   13.216  164.070   13.169 26.01277 18.65694 
1 1 1   -6    5   53 o  168.191   9.6614   75.968   8.6679   94.752   13.440   62.590   11.342  185.622   13.399  150.760   13.923 34.86258 19.32281 
1 1 1   -6    5   54 f  254.294   8.2851  177.620   11.353  174.752   16.610  180.135   15.553  252.206   12.188  256.383   11.226 -4.177078 16.57019 
1 1 1   -6    5   55 o  250.169   5.7205  170.898   7.7176  160.363   10.999  181.113   10.831  242.477   8.3946  257.860   7.7734 -15.38329 11.44096 
1 1 1   -6    5   56 o  173.148   6.4987   81.811   6.0605   84.340   8.9957   79.710   8.2010  175.523   9.4845  170.773   8.8870 4.749481 12.99748 
1 1 1   -6    5   57 o  261.968   6.8344  185.770   9.0527  195.946   16.091  181.058   10.950  266.442   11.176  257.494   7.8697 8.947235 13.66877 
1 1 1   -6    5   58 o   48.687   14.151   2.9103   5.6181   5.0698   10.001   1.9148   6.7908   54.430   21.989   42.944   17.819 11.48544 28.30268 
1 1 1   -6    5   59 o  197.662   7.3235  103.878   7.5073   94.216   9.2201  122.883   12.931  185.023   9.2220  210.301   11.379 -25.27856 14.64698 
1 1 1   -6    5   60 o  209.645   6.0799  120.577   6.8781  124.680   10.051  116.963   9.4327  212.936   8.7350  206.354   8.4593 6.582611 12.15980 
1 1 1   -6    5   61 o  177.939   6.6641   87.651   6.3944   85.754   9.2840   89.363   8.8199  175.955   9.7644  179.922   9.0718 -3.967026 13.32814 
1 1 1   -6    5   62 o   88.729   11.539   23.458   5.3646   21.061   7.8775   25.531   7.3259   83.069   18.064   94.389   14.363 -11.31936 23.07828 
1 1 1   -6    5   63 o  188.260   6.5833   97.616   6.6685  104.982   10.011   91.741   8.9405  194.491   9.5259  182.028   9.0894 12.46315 13.16667 
1 1 1   -6    5   64 o   71.051   13.963   16.112   5.5828   14.309   8.1818   17.683   7.6368   67.096   20.594   75.006   18.861 -7.909859 27.92595 
1 1 1   -6    5   65 o  253.763   6.0459  179.059   8.2824  179.410   11.983  178.738   11.461  253.843   8.7357  253.682   8.3607 0.1602173 12.09185 
1 1 1   -6    5   66 o   58.515   14.818   10.387   5.9381   12.657   8.8833   8.5527   7.9841   62.596   21.614   54.435   20.275 8.161503 29.63537 
1 1 1   -6    5   67 o   81.516   14.262   21.836   6.2202   20.684   9.5139   22.697   8.2206   78.511   21.701   84.521   18.512 -6.010078 28.52400 
1 1 1   -6    5   68 o  168.525   7.5259   82.453   6.8457   87.634   9.9423   77.783   9.4397  173.597   10.599  163.452   10.688 10.14473 15.05185 
1 1 1   -6    5   69 o   39.099   12.507  -1.3875   5.7635  -5.0824   8.6526   1.5594   7.7273   36.624   17.198   41.574   18.164 -4.949684 25.01402 
1 1 1   -6    6    1 o  786.439   9.5980  1671.63   40.777  1695.45   58.504  1649.12   56.865  791.883   13.672  780.996   13.474 10.88654 19.19603 
1 1 1   -6    6    2 o  720.843   8.8620  1404.73   34.519  1407.85   48.944  1401.65   48.691  721.638   12.551  720.049   12.514 1.589417 17.72400 
1 1 1   -6    6    3 o  1367.85   23.064  5065.39  170.477   0.0000   0.0000  5065.39  170.477  ?   ?   1367.85   23.064      ?      ? 
1 1 1   -6    6    4 o  1525.85   18.142  6302.23  149.504  6427.71  215.792  6186.41  207.324  1540.40   25.925  1511.29   25.387 29.10962 36.28485 
1 1 1   -6    6    5 o  769.872   9.4080  1602.47   39.138  1607.54   55.585  1597.48   55.116  771.078   13.340  768.667   13.269 2.411621 18.81604 
1 1 1   -6    6    6 o  1870.01   22.187  9485.93  224.185  9548.41  319.182  9425.09  314.950  1876.06   31.485  1863.96   31.269 12.10168 44.37412 
1 1 1   -6    6    7 o  533.510   9.6208  769.344   27.736   0.0000   0.0000  769.344   27.736  ?   ?   533.510   9.6208      ?      ? 
1 1 1   -6    6    8 o  1175.40   14.085  3739.38   89.450  3764.97  127.503  3714.58  125.524  1179.35   20.007  1171.45   19.830 7.898804 28.16917 
1 1 1   -6    6    9 o  972.773   11.720  2559.94   61.601  2578.82   87.817  2541.65   86.433  976.298   16.646  969.249   16.503 7.048828 23.43989 
1 1 1   -6    6   10 o  509.247   6.5739  698.122   18.035  736.346   26.802  666.495   24.380  521.929   9.5032  496.566   9.0859 25.36249 13.14773 
1 1 1   -6    6   11 o  993.281   11.961  2669.32   64.195  2690.85   91.541  2648.49   90.049  997.215   16.988  989.346   16.844 7.869202 23.92286 
1 1 1   -6    6   12 o  277.713   4.3859  208.416   6.5808  208.864   9.3904  207.983   9.2250  278.006   6.2509  277.420   6.1538 0.5864563 8.771703 
1 1 1   -6    6   13 o  554.977   7.0542  832.739   21.155  833.171   29.972  832.311   29.863  555.120   9.9917  554.834   9.9605 0.2855225 14.10835 
1 1 1   -6    6   14 o  182.486   3.9083   90.001   3.8514   89.955   5.5481   90.044   5.3507  182.440   5.6278  182.533   5.4248 -0.9295654E-01 7.816697 
1 1 1   -6    6   15 o  786.824   9.6344  1675.93   40.962  1670.66   57.787  1681.26   58.073  785.581   13.613  788.067   13.637 -2.485535 19.26876 
1 1 1   -6    6   16 o  235.745   4.1803  150.215   5.3251  149.258   7.5284  151.173   7.5334  234.994   5.9287  236.497   5.8949 -1.503708 8.360567 
1 1 1   -6    6   17 o  171.525   4.0312   79.495   3.7282   72.573   5.2057   86.785   5.3420  163.860   5.8792  179.191   5.5170 -15.33148 8.062358 
1 1 1   -6    6   18 o  341.518   4.9736  315.321   9.1783  314.059   13.013  316.570   12.948  340.837   7.0654  342.199   7.0020 -1.361969 9.947300 
1 1 1   -6    6   19 o  463.457   8.5906  581.332   21.512  575.450   30.205  587.387   30.646  461.079   12.123  465.833   12.175 -4.754028 17.18117 
1 1 1   -6    6   20 o  476.644   12.481  615.090   32.146  615.090   32.146   0.0000   0.0000  476.644   12.481  ?   ?       ?      ? 
1 1 1   -6    6   21 o  820.133   20.217  1827.93   89.595  1827.93   89.595   0.0000   0.0000  820.133   20.217  ?   ?       ?      ? 
1 1 1   -6    6   22 o  853.733   14.815  1981.11   68.323  1949.55   95.193  2014.64   98.120  846.762   20.805  860.704   21.097 -13.94244 29.62946 
1 1 1   -6    6   23 o  447.532   8.5999  542.227   20.797  538.513   29.401  545.946   29.421  445.995   12.200  449.068   12.124 -3.072784 17.19987 
1 1 1   -6    6   24 o  306.752   4.7960  254.450   7.9468  251.695   11.357  257.093   11.124  305.122   6.8881  308.382   6.6753 -3.260651 9.591942 
1 1 1   -6    6   25 o  640.842   8.0397  1110.95   27.834  1094.31   38.853  1128.50   39.894  635.918   11.307  645.765   11.433 -9.847595 16.07943 
1 1 1   -6    6   26 o  661.053   8.2721  1181.93   29.541  1162.41   41.192  1202.60   42.387  655.441   11.630  666.665   11.766 -11.22394 16.54425 
1 1 1   -6    6   27 f  628.116   7.9215  1066.39   26.870  1041.88   37.220  1093.07   38.831  620.593   11.099  635.640   11.305 -15.04700 15.84292 
1 1 1   -6    6   28 o  692.682   8.6281  1298.15   32.294  1292.33   45.521  1304.04   45.823  691.121   12.189  694.243   12.215 -3.121704 17.25611 
1 1 1   -6    6   29 o  1515.28   18.091  6237.59  148.127  6242.27  209.620  6232.93  209.346  1515.84   25.591  1514.71   25.577 1.130005 36.18126 
1 1 1   -6    6   30 o  721.056   8.9556  1405.33   34.873  1374.98   48.307  1438.35   50.395  712.943   12.539  729.169   12.790 -16.22577 17.91127 
1 1 1   -6    6   31 f  604.385   7.7079  987.679   25.170  975.155   35.239  1000.72   35.962  600.476   10.860  608.292   10.941 -7.816162 15.41571 
1 1 1   -6    6   32 o  1195.88   14.374  3874.62   92.827  3793.60  128.486  3963.08  134.259  1182.86   20.102  1208.89   20.553 -26.03638 28.74878 
1 1 1   -6    6   33 o  559.698   7.2646  847.164   21.971  848.289   31.178  846.055   30.966  560.066   10.302  559.331   10.245 0.7353516 14.52929 
1 1 1   -6    6   34 o  337.003   5.3421  307.044   9.7268  304.741   13.842  309.291   13.671  335.752   7.6294  338.253   7.4796 -2.501038 10.68421 
1 1 1   -6    6   35 o  661.588   8.3794  1184.29   29.955  1175.75   42.174  1192.97   42.555  659.183   11.840  663.992   11.860 -4.809692 16.75878 
1 1 1   -6    6   36 f  2095.23   25.152 12041.83  284.750 12103.71  405.132 11981.42  400.305  2100.44   35.694  2090.02   35.445 10.41675 50.30326 
1 1 1   -6    6   37 o  677.604   8.5966  1242.58   31.472  1250.08   44.938  1235.37   44.091  679.601   12.237  675.606   12.077 3.994812 17.19318 
1 1 1   -6    6   38 o  1546.73   18.561  6520.23  155.101  6594.19  222.096  6449.82  216.694  1555.19   26.428  1538.26   26.069 16.93152 37.12221 
1 1 1   -6    6   39 o  300.055   5.7143  243.482   9.2647  241.562   13.126  245.388   13.078  298.874   8.1275  301.235   8.0346 -2.360596 11.42854 
1 1 1   -6    6   40 o  1030.44   12.543  2882.55   69.838  2868.17   98.314  2897.19   99.224  1027.86   17.701  1033.03   17.775 -5.166260 25.08541 
1 1 1   -6    6   41 o  411.988   6.2276  459.214   13.862  460.487   19.804  457.992   19.409  412.542   8.8836  411.433   8.7299 1.108887 12.45512 
1 1 1   -6    6   42 o  975.506   11.926  2585.41   62.866  2573.03   88.567  2597.97   89.250  973.161   16.842  977.851   16.891 -4.690308 23.85271 
1 1 1   -6    6   43 o  433.004   6.3190  507.599   14.785  507.754   21.004  507.448   20.815  433.066   8.9756  432.943   8.8972 0.1230164 12.63810 
1 1 1   -6    6   44 o  468.268   6.6035  593.846   16.708  596.159   23.788  591.593   23.473  469.162   9.3830  467.373   9.2943 1.789154 13.20693 
1 1 1   -6    6   45 o  108.097   9.3228   31.968   5.4051   28.182   7.7704   35.517   7.5235  101.808   14.125  114.386   12.172 -12.57788 18.64562 
1 1 1   -6    6   46 o  116.048   8.8121   36.994   5.4668   32.468   7.9839   40.989   7.5012  109.232   13.526  122.864   11.298 -13.63203 17.62424 
1 1 1   -6    6   47 o  412.434   6.1687  460.936   13.739  467.143   19.837  455.212   19.048  415.082   8.8441  409.786   8.6019 5.296082 12.33743 
1 1 1   -6    6   48 o  362.167   7.1157  355.385   13.137  359.009   22.770  353.577   16.084  363.229   11.601  361.104   8.2430 2.124725 14.23135 
1 1 1   -6    6   49 o  327.102   11.306  291.441   19.984  291.441   19.984   0.0000   0.0000  327.102   11.306  ?   ?       ?      ? 
1 1 1   -6    6   50 o  260.945   7.8442  185.551   11.054  183.423   15.849  187.568   15.426  259.447   11.305  262.444   10.878 -2.997040 15.68834 
1 1 1   -6    6   51 o  255.828   7.2181  177.182   9.0486  181.059   16.894  175.623   10.715  257.330   12.150  254.326   7.7968 3.003662 14.43622 
1 1 1   -6    6   52 o  167.210   9.9122   75.904   8.8716   84.414   13.740   69.820   11.618  175.027   14.528  159.393   13.489 15.63335 19.82432 
1 1 1   -6    6   53 o  177.314   9.4368   86.922   8.9565   83.063   13.446   90.000   12.008  173.513   14.341  181.116   12.270 -7.603378 18.87351 
1 1 1   -6    6   54 o  137.214   11.336   51.786   8.3006   64.617   12.462   41.554   11.128  152.526   15.120  121.903   16.894 30.62379 22.67225 
1 1 1   -6    6   55 o  293.377   5.6749  233.413   8.9665  249.275   13.363  220.423   12.093  302.346   8.1793  284.409   7.8686 17.93710 11.34973 
1 1 1   -6    6   56 o  191.549   6.2116   99.378   6.3930  109.099   9.6925   91.892   8.5054  199.713   8.9813  183.385   8.5831 16.32787 12.42312 
1 1 1   -6    6   57 o  136.780   7.6931   51.308   5.6546   54.637   8.5495   48.719   7.5390  140.598   11.253  132.961   10.493 7.637131 15.38627 
1 1 1   -6    6   58 o   65.918   14.011   13.552   5.7128   5.7680   9.9531   17.376   6.9763   55.242   22.070   76.593   17.268 -21.35118 28.02297 
1 1 1   -6    6   59 o  231.035   5.9627  146.714   7.4324  140.721   10.658  152.387   10.370  226.313   8.7153  235.757   8.1398 -9.444443 11.92533 
1 1 1   -6    6   60 o  207.551   7.3792  119.635   8.0173  120.155   10.173  118.784   13.024  208.827   9.0152  206.276   11.685 2.550751 14.75841 
1 1 1   -6    6   61 o   56.882   13.852   9.2078   5.2139   7.3234   7.6093   10.875   7.1584   53.379   19.811   60.386   19.367 -7.007008 27.70499 
1 1 1   -6    6   62 o  244.398   5.9242  164.498   7.8091  168.992   11.458  160.600   10.672  247.393   8.5709  241.403   8.1808 5.990280 11.84848 
1 1 1   -6    6   63 o   42.820   12.876   0.9426   5.2369   4.0301   7.8860  -1.4930   7.0042   47.732   19.438   37.908   16.893 9.824017 25.75296 
1 1 1   -6    6   64 o  115.534   9.8061   37.898   5.9240   52.485   8.9482   26.515   7.9041  135.875   12.187   95.194   15.366 40.68116 19.61225 
1 1 1   -6    6   65 o   89.609   12.381   24.256   5.8380   31.008   9.0487   19.442   7.6410  101.258   16.537   77.959   18.429 23.29926 24.76118 
1 1 1   -6    6   66 o  230.309   6.4891  147.879   8.0419  153.163   12.014  143.588   10.825  233.736   9.5118  226.882   8.8294 6.853653 12.97818 
1 1 1   -6    6   67 o  127.162   9.3612   46.861   6.3996   51.575   9.6669   43.183   8.5385  132.620   13.489  121.705   12.983 10.91502 18.72242 
1 1 1   -6    6   68 o  117.856   9.8533   42.025   6.2656   44.450   9.1738   39.904   8.5779  120.938   14.038  114.774   13.831 6.164848 19.70658 
1 1 1   -6    6   69 o   92.744   12.683   29.850   6.0836   19.907   9.0102   38.182   8.2474   73.431   21.398  112.058   13.620 -38.62708 25.36515 
1 1 1   -6    7    2 o  468.905   8.8047  594.267   22.309   0.0000   0.0000  594.267   22.309  ?   ?   468.905   8.8047      ?      ? 
1 1 1   -6    7    4 o  1953.67   23.189 10361.46  244.738 10222.82  341.278 10508.23  351.158  1940.29   32.550  1967.05   33.037 -26.75061 46.37838 
1 1 1   -6    7    5 o  1050.08   12.638  2982.02   71.674  3038.80  103.335  2929.38   99.499  1059.69   18.046  1040.47   17.697 19.22144 25.27542 
1 1 1   -6    7    6 o  1219.99   14.585  4029.95   96.153  4023.58  135.794  4036.36  136.168  1219.03   20.615  1220.96   20.639 -1.931885 29.17075 
1 1 1   -6    7    7 o  965.484   11.658  2519.85   60.777  2577.70   87.958  2467.00   84.077  976.062   16.677  954.905   16.294 21.15710 23.31541 
1 1 1   -6    7    8 o  1286.28   15.359  4481.04  106.756  4496.39  151.508  4465.92  150.450  1288.46   21.761  1284.10   21.682 4.361328 30.71894 
1 1 1   -6    7    9 o  1055.50   12.694  3013.80   72.370  3064.11  104.113  2966.75  100.668  1064.00   18.108  1046.99   17.793 17.00891 25.38714 
1 1 1   -6    7   10 o  1143.16   13.704  3538.30   84.647  3516.75  119.027  3560.35  120.402  1139.64   19.328  1146.67   19.432 -7.030273 27.40732 
1 1 1   -6    7   12 o  446.665   5.9519  539.305   14.364  543.312   20.516  535.453   20.116  448.290   8.4694  445.039   8.3649 3.250549 11.90384 
1 1 1   -6    7   13 o  449.820   5.9933  546.296   14.552  563.114   21.191  531.289   20.017  456.357   8.5932  443.283   8.3567 13.07407 11.98655 
1 1 1   -6    7   14 o  531.118   6.8365  762.892   19.620  758.081   27.663  767.762   27.832  529.433   9.6696  532.803   9.6671 -3.370056 13.67306 
1 1 1   -6    7   15 o  455.500   6.0618  561.017   14.920  557.653   21.030  564.426   21.171  454.125   8.5699  456.875   8.5756 -2.749176 12.12369 
1 1 1   -6    7   16 o  427.947   5.8028  494.898   13.412  504.076   19.341  486.397   18.614  431.763   8.2900  424.131   8.1220 7.632202 11.60558 
1 1 1   -6    7   17 o  836.989   12.469  1911.29   53.691  1862.16   90.497  1937.98   66.698  828.143   20.223  845.835   14.593 -17.69250 24.93821 
1 1 1   -6    7   18 o  448.889   8.4252  544.937   20.426  531.081   28.344  559.910   29.463  442.962   11.841  454.816   11.988 -11.85379 16.85045 
1 1 1   -6    7   19 o  602.351   15.218  983.333   49.533  983.333   49.533   0.0000   0.0000  602.351   15.218  ?   ?       ?      ? 
1 1 1   -6    7   20 o  892.608   21.873  2167.57  105.502  2167.57  105.502   0.0000   0.0000  892.608   21.873  ?   ?       ?      ? 
1 1 1   -6    7   21 o  456.027   8.7539  563.018   21.569  553.604   30.256  572.748   30.758  452.151   12.383  459.903   12.377 -7.752045 17.50784 
1 1 1   -6    7   22 o  902.812   15.623  2214.42   76.154  2161.71  105.166  2272.52  110.422  891.600   21.828  914.023   22.357 -22.42261 31.24568 
1 1 1   -6    7   23 o  803.551   9.8576  1747.65   42.779  1710.77   59.306  1787.66   61.766  794.740   13.810  812.363   14.071 -17.62299 19.71529 
1 1 1   -6    7   24 o  345.878   5.1113  323.386   9.5519  316.237   13.429  330.708   13.589  342.008   7.2663  349.748   7.1905 -7.739594 10.22263 
1 1 1   -6    7   25 o  157.169   4.7788   67.039   4.0416   62.842   5.8687   70.825   5.5739  152.467   7.1233  161.871   6.3724 -9.403809 9.557672 
1 1 1   -6    7   26 o  1049.12   12.668  2983.19   71.807  2955.28  100.664  3012.10  102.459  1044.14   17.841  1054.10   17.988 -9.961304 25.33527 
1 1 1   -6    7   27 o  765.756   9.4488  1586.77   39.094  1570.19   54.811  1603.94   55.775  761.690   13.317  769.823   13.408 -8.133240 18.89751 
1 1 1   -6    7   28 o  386.197   5.5770  402.646   11.630  388.050   16.090  418.617   16.831  378.878   7.8592  393.516   7.9149 -14.63815 11.15407 
1 1 1   -6    7   29 o  1552.55   18.543  6543.90  155.499  6434.05  216.087  6661.88  223.940  1539.12   25.982  1565.98   26.464 -26.85901 37.08640 
1 1 1   -6    7   30 o  329.627   5.1870  293.674   9.2387  295.469   13.139  291.920   12.993  330.622   7.3544  328.631   7.3166 1.991058 10.37402 
1 1 1   -6    7   31 o  259.843   4.8580  182.459   6.8196  177.023   9.5745  188.056   9.7159  255.915   6.9236  263.771   6.8166 -7.856522 9.716101 
1 1 1   -6    7   32 o  213.783   4.9337  123.763   5.6887  117.998   8.1662  129.198   7.9292  208.934   7.2331  218.632   6.7117 -9.698181 9.867307 
1 1 1   -6    7   33 o  572.562   7.4214  886.043   22.949  903.120   33.116  870.267   31.831  577.860   10.606  567.264   10.384 10.59583 14.84282 
1 1 1   -6    7   34 o  627.941   8.0185  1066.75   27.208  1063.78   38.489  1069.71   38.467  627.066   11.359  628.816   11.321 -1.750122 16.03705 
1 1 1   -6    7   35 o  680.846   8.5923  1254.06   31.603  1231.89   44.075  1277.52   45.339  674.661   12.090  687.031   12.213 -12.37042 17.18456 
1 1 1   -6    7   36 o  209.726   5.7384  118.953   6.4818  106.492   9.0525  132.063   9.2853  198.446   8.4418  221.006   7.7751 -22.55913 11.47678 
1 1 1   -6    7   37 o  374.762   5.8486  379.744   11.841  368.216   16.655  391.526   16.837  369.008   8.3527  380.516   8.1887 -11.50711 11.69717 
1 1 1   -6    7   38 o  627.283   8.1041  1065.02   27.470  1059.25   38.742  1070.86   38.955  625.573   11.461  628.993   11.461 -3.420044 16.20829 
1 1 1   -6    7   39 o  401.167   6.1585  435.279   13.350  430.259   18.846  440.335   18.912  398.843   8.7446  403.490   8.6741 -4.646790 12.31699 
1 1 1   -6    7   40 o  865.313   10.677  2031.10   49.923  2022.48   70.415  2039.80   70.790  863.471   15.091  867.156   15.107 -3.685791 21.35372 
1 1 1   -6    7   41 o  635.875   8.2237  1094.71   28.246  1110.32   40.612  1080.08   39.312  640.250   11.739  631.499   11.520 8.750488 16.44743 
1 1 1   -6    7   42 o  290.713   5.7755  228.556   9.0669  217.102   12.669  240.583   12.982  283.245   8.2774  298.181   8.0569 -14.93597 11.55110 
1 1 1   -6    7   43 o  150.682   7.6246   61.665   6.1950   58.266   8.8773   64.892   8.6491  146.607   11.206  154.756   10.343 -8.149109 15.24926 
1 1 1   -6    7   44 o  492.428   6.8493  656.917   18.225  651.201   25.650  662.746   25.899  490.265   9.6819  494.591   9.6907 -4.325500 13.69853 
1 1 1   -6    7   45 o  205.892   6.0650  115.121   6.7277  105.693   9.5649  124.353   9.4646  197.504   8.9623  214.281   8.1739 -16.77681 12.12992 
1 1 1   -6    7   46 f  382.855   6.0037  397.236   12.418  387.350   17.513  407.234   17.612  378.053   8.5727  387.658   8.4074 -9.604523 12.00734 
1 1 1   -6    7   47 o  495.690   8.3722  666.078   21.078  675.000   36.825  661.731   25.705  497.589   13.696  493.792   9.6334 3.797424 16.74439 
1 1 1   -6    7   48 o  154.064   14.134   64.887   11.767   64.887   11.767   0.0000   0.0000  154.064   14.134  ?   ?       ?      ? 
1 1 1   -6    7   49 o  313.809   11.302  268.243   19.166  268.243   19.166   0.0000   0.0000  313.809   11.302  ?   ?       ?      ? 
1 1 1   -6    7   50 o  319.449   7.1831  267.145   11.123  302.027   21.643  254.626   12.966  332.594   12.042  306.305   7.8336 26.28833 14.36620 
1 1 1   -6    7   51 o   72.193   12.969   15.506   5.1703   10.700   7.9241   19.068   6.8227   62.634   20.403   81.753   16.017 -19.11891 25.93884 
1 1 1   -6    7   52 o  343.633   8.3662  323.035   15.508  329.279   22.697  317.568   21.238  346.631   12.118  340.635   11.538 5.995850 16.73245 
1 1 1   -6    7   53 o  160.486   10.468   69.974   8.9890   80.968   13.947   62.162   11.756  171.001   15.094  149.970   14.507 21.03053 20.93524 
1 1 1   -6    7   54 o  139.085   10.021   51.523   6.6624   58.311   13.229   49.216   7.7117  144.201   16.978  133.970   10.653 10.23050 20.04301 
1 1 1   -6    7   55 o  185.868   6.4512   94.999   6.4386   87.813   9.4077  101.330   8.8308  179.069   9.7225  192.667   8.4821 -13.59758 12.90242 
1 1 1   -6    7   56 o  251.679   5.7035  173.292   7.7418  164.851   11.103  181.282   10.801  245.601   8.3657  257.757   7.7546 -12.15573 11.40700 
1 1 1   -6    7   57 f   53.469   13.808   7.1348   5.1835   6.0961   7.9632   7.8985   6.8281   52.548   20.097   54.391   18.940 -1.842918 27.61559 
1 1 1   -6    7   58 f  227.770   6.0478  142.625   7.4000  139.502   11.008  145.200   9.9955  225.286   9.0423  230.254   8.0336 -4.968185 12.09553 
1 1 1   -6    7   59 o   74.012   14.515   14.780   5.8345   24.189   10.294   10.327   7.0820   88.426   21.704   59.598   19.279 28.82737 29.03040 
1 1 1   -6    7   60 o  103.584   11.396   30.921   6.3250   30.989   8.4366   30.833   9.5577  104.149   14.991  103.019   17.169 1.130394 22.79256 
1 1 1   -6    7   61 o   32.912   11.233 -11.6559   6.0054  -9.0705   7.8912 -15.2140   9.2573   33.119   15.805   32.706   15.967 0.4130135 22.46654 
1 1 1   -6    7   62 o   81.757   12.321   19.559   5.5282   31.420   8.3594   10.339   7.3699  104.488   14.805   59.027   19.698 45.46104 24.64176 
1 1 1   -6    7   63 o  131.942   8.6307   49.971   6.0657   44.458   9.0134   54.535   8.2005  124.570   13.390  139.315   10.893 -14.74565 17.26149 
1 1 1   -6    7   64 o   78.459   12.956   20.178   5.7452   11.039   8.7394   27.133   7.6242   60.380   21.396   96.538   14.615 -36.15752 25.91110 
1 1 1   -6    7   65 o   33.889   11.428  -8.4238   5.7163  -5.4632   8.7232 -10.6519   7.5676   37.385   17.463   30.393   14.746 6.992731 22.85601 
1 1 1   -6    7   66 o  199.885   6.9806  109.502   7.4458  135.201   11.579   91.382   9.7226  219.480   9.7631  180.291   9.9798 39.18959 13.96119 
1 1 1   -6    7   67 o  148.982   8.2823   64.757   6.6008   65.355   10.066   64.305   8.7433  148.789   12.519  149.174   10.847 -0.3847504 16.56452 
1 1 1   -6    7   68 o   52.965   14.267   7.1840   5.8920   14.265   9.0642   2.0025   7.7537   63.529   21.839   42.400   18.363 21.12936 28.53301 
1 1 1   -6    7   69 o  143.155   8.7248   61.930   6.6273   58.972   10.186   64.100   8.7270  138.629   13.598  147.681   10.936 -9.052109 17.44955 
1 1 1   -6    8    1 o  1828.44   21.728  9076.48  214.671  9035.95  302.158  9117.78  305.043  1824.34   30.651  1832.54   30.805 -8.198364 43.45579 
1 1 1   -6    8    2 o  989.373   16.906  2648.62   90.385   0.0000   0.0000  2648.62   90.385  ?   ?   989.373   16.906      ?      ? 
1 1 1   -6    8    4 o  1733.69   20.628  8156.35  193.232  8211.33  275.380  8103.02  271.209  1739.41   29.298  1727.97   29.046 11.44409 41.25576 
1 1 1   -6    8    5 o  1303.91   15.574  4604.49  109.714  4553.95  153.381  4657.44  157.000  1296.60   21.892  1311.21   22.158 -14.60925 31.14869 
1 1 1   -6    8    6 o  602.257   7.6019  980.532   24.738  987.754   35.254  973.527   34.721  604.440   10.794  600.075   10.708 4.365784 15.20386 
1 1 1   -6    8    7 f  779.698   9.5604  1644.21   40.277  1654.61   57.370  1634.10   56.560  782.125   13.574  777.271   13.466 4.854736 19.12088 
1 1 1   -6    8    8 o  900.087   10.924  2192.40   53.127  2203.82   75.563  2181.23   74.710  902.401   15.496  897.773   15.400 4.628113 21.84707 
1 1 1   -6    8    9 o  558.857   7.1481  844.514   21.586  839.556   30.401  849.555   30.654  557.204   10.097  560.511   10.121 -3.307312 14.29616 
1 1 1   -6    8   10 o  484.626   6.3697  635.046   16.680  635.621   23.660  634.477   23.520  484.844   9.0308  484.409   8.9852 0.4344482 12.73931 
1 1 1   -6    8   13 f  700.143   8.6848  1326.66   32.857  1324.71   46.441  1328.60   46.494  699.629   12.284  700.657   12.280 -1.027527 17.36950 
1 1 1   -6    8   14 o  179.536   4.2715   87.081   4.1421   88.497   5.9671   85.764   5.7543  180.943   6.1029  178.129   5.9782 2.814194 8.543035 
1 1 1   -6    8   15 o  582.945   7.4240  919.338   23.385  922.079   33.223  916.647   32.922  583.803   10.531  582.086   10.467 1.717346 14.84796 
1 1 1   -6    8   16 o  736.276   12.856  1470.56   51.144  1458.78   71.853  1482.66   72.814  733.296   18.133  739.256   18.228 -5.960388 25.71117 
1 1 1   -6    8   17 o  353.956   10.285  338.964   19.672  338.964   19.672   0.0000   0.0000  353.956   10.285  ?   ?       ?      ? 
1 1 1   -6    8   19 o  736.617   12.956  1472.32   51.547  1443.92   71.578  1502.93   74.295  729.273   18.164  743.962   18.481 -14.68909 25.91243 
1 1 1   -6    8   20 o  588.908   10.688  939.503   33.996  920.495   47.247  959.910   48.955  582.749   15.004  595.066   15.224 -12.31714 21.37521 
1 1 1   -6    8   21 o  278.188   5.7987  207.525   8.0322  213.784   14.630  204.825   9.6101  281.118   9.6309  275.259   6.4610 5.859192 11.59734 
1 1 1   -6    8   22 o  410.782   5.7342  455.562   12.718  437.608   17.555  475.390   18.449  402.280   8.0759  419.284   8.1428 -17.00339 11.46841 
1 1 1   -6    8   23 o  512.701   6.7191  710.489   18.608  693.010   25.881  729.191   26.772  506.180   9.4623  519.221   9.5419 -13.04050 13.43810 
1 1 1   -6    8   24 o  544.587   7.0525  802.164   20.754  799.943   29.393  804.372   29.307  543.834   10.002  545.341   9.9453 -1.506897 14.10506 
1 1 1   -6    8   25 o  371.035   5.4327  371.947   10.886  378.639   15.715  365.773   15.094  374.239   7.7710  367.831   7.5939 6.408081 10.86532 
1 1 1   -6    8   26 o  1356.80   16.253  4998.71  119.154  4969.29  167.542  5028.81  169.494  1352.78   22.920  1360.82   23.050 -8.038330 32.50542 
1 1 1   -6    8   27 f  496.727   6.6055  667.071   17.729  659.810   24.914  674.519   25.234  493.990   9.3335  499.465   9.3496 -5.475281 13.21095 
1 1 1   -6    8   28 o  1315.00   15.758  4687.60  111.924  4608.34  155.499  4772.80  161.226  1303.52   22.076  1326.48   22.493 -22.95972 31.51651 
1 1 1   -6    8   29 o  744.175   9.2334  1497.76   37.121  1474.65   51.805  1522.15   53.218  738.282   12.985  750.067   13.130 -11.78485 18.46688 
1 1 1   -6    8   30 o  1316.03   15.769  4698.61  112.124  4650.78  156.971  4748.43  160.215  1309.22   22.188  1322.83   22.413 -13.61511 31.53846 
1 1 1   -6    8   31 o  208.707   5.0788  117.969   5.7138  108.905   8.1059  126.921   8.0553  200.719   7.4735  216.694   6.8794 -15.97554 10.15769 
1 1 1   -6    8   32 o  410.568   5.8946  455.654   13.073  458.259   18.749  453.189   18.239  411.707   8.4275  409.429   8.2439 2.278259 11.78917 
1 1 1   -6    8   33 o  434.201   6.1287  509.769   14.379  507.912   20.411  511.598   20.259  433.414   8.7153  434.988   8.6191 -1.573425 12.25741 
1 1 1   -6    8   34 o  997.385   12.126  2693.14   65.290  2621.26   89.952  2773.17   94.917  983.381   16.928  1011.39   17.367 -28.00806 24.25238 
1 1 1   -6    8   35 o  509.757   6.8801  702.867   18.950  704.102   27.001  701.669   26.602  510.194   9.7938  509.319   9.6657 0.8741760 13.76020 
1 1 1   -6    8   36 o  711.263   8.9656  1368.58   34.444  1339.58   47.873  1399.70   49.596  703.467   12.594  719.059   12.764 -15.59247 17.93116 
1 1 1   -6    8   37 o  703.779   8.9174  1341.05   33.912  1330.91   47.783  1351.34   48.136  701.100   12.613  706.459   12.609 -5.359192 17.83472 
1 1 1   -6    8   38 o  281.525   5.8146  213.821   8.8220  192.801   12.181  237.010   12.794  267.001   8.4427  296.049   7.9974 -29.04800 11.62917 
1 1 1   -6    8   39 o  173.810   7.0188   81.764   6.5902   81.297   9.4191   82.212   9.2239  173.320   10.057  174.300   9.7933 -0.9794922 14.03758 
1 1 1   -6    8   40 o  443.065   6.4521  531.201   15.445  530.284   22.010  532.091   21.680  442.683   9.2011  443.448   9.0475 -0.7646790 12.90416 
1 1 1   -6    8   41 o  836.565   14.706  1899.25   66.481   0.0000   0.0000  1899.25   66.481  ?   ?   836.565   14.706      ?      ? 
1 1 1   -6    8   42 o  316.182   5.8001  270.189   9.8987  278.403   14.415  262.860   13.616  320.715   8.3181  311.649   8.0856 9.065674 11.60028 
1 1 1   -6    8   43 o  509.482   6.9960  703.093   19.253  708.383   27.660  698.120   26.816  511.324   10.011  507.639   9.7756 3.684631 13.99209 
1 1 1   -6    8   44 o  362.430   5.9047  355.369   11.557  338.138   16.093  373.716   16.606  353.360   8.4281  371.501   8.2722 -18.14096 11.80940 
1 1 1   -6    8   45 o  251.352   5.8213  171.335   7.8982  164.844   11.278  177.582   11.064  246.657   8.4619  256.048   7.9968 -9.391052 11.64266 
1 1 1   -6    8   46 o  312.307   6.9107  265.559   11.006  261.937   18.952  267.402   13.519  310.469   11.296  314.145   7.9638 -3.676483 13.82147 
1 1 1   -6    8   47 o  512.023   14.028  715.766   38.814  715.766   38.814   0.0000   0.0000  512.023   14.028  ?   ?       ?      ? 
1 1 1   -6    8   48 f  183.021   12.752   91.441   12.612   91.441   12.612   0.0000   0.0000  183.021   12.752  ?   ?       ?      ? 
1 1 1   -6    8   49 o  158.184   9.0561   66.559   7.0265   72.635   13.297   64.205   8.2764  162.723   15.122  153.645   9.9687 9.078598 18.11213 
1 1 1   -6    8   50 o  194.318   8.1143   99.825   7.5259  110.180   14.925   96.294   8.7148  200.408   13.782  188.229   8.5681 12.17871 16.22860 
1 1 1   -6    8   51 o  198.212   7.5841  105.753   7.8187  101.820   9.7286  112.928   13.139  193.342   9.3119  203.081   11.973 -9.738770 15.16819 
1 1 1   -6    8   52 o  235.503   8.7165  153.118   11.018  140.631   16.089  164.144   15.119  226.152   13.166  244.854   11.427 -18.70204 17.43305 
1 1 1   -6    8   53 o  207.360   9.1287  117.605   10.134  124.910   15.603  112.275   13.327  212.671   13.577  202.049   12.207 10.62270 18.25748 
1 1 1   -6    8   54 o   44.194   12.740  -0.0003   5.0659   7.1229   7.8999  -4.9751   6.6020   54.835   20.218   33.554   15.507 21.28116 25.48017 
1 1 1   -6    8   55 o   90.502   11.250   23.090   5.2178   34.697   7.8822   14.037   6.9615  111.896   13.036   69.108   18.338 42.78866 22.49953 
1 1 1   -6    8   56 o   60.084   12.633   8.3863   5.1469   18.857   7.7190   0.0042   6.9063   79.742   18.301   40.427   17.419 39.31494 25.26600 
1 1 1   -6    8   57 o  144.326   7.4983   57.004   5.8205   63.024   8.7595   52.244   7.7887  151.053   10.732  137.599   10.475 13.45338 14.99651 
1 1 1   -6    8   58 o   66.330   13.041   13.249   5.3032   5.6746   7.8370   19.648   7.2029   51.233   19.847   81.427   16.923 -30.19361 26.08222 
1 1 1   -6    8   59 o  240.389   7.0446  161.627   8.6489  153.941   14.673  165.719   10.706  235.005   11.555  245.773   8.0616 -10.76830 14.08913 
1 1 1   -6    8   60 o   61.015   15.104   10.624   5.9155   10.252   10.451   10.800   7.1756   61.751   23.158   60.279   19.396 1.471554 30.20804 
1 1 1   -6    8   61 o   77.867   11.804   19.816   6.2395   36.210   8.1817  -2.9707   9.6458  112.794   13.424   42.940   19.421 69.85402 23.60891 
1 1 1   -6    8   62 o   71.676   13.638   15.472   5.5460   21.897   8.3377   10.373   7.4275   84.277   18.788   59.076   19.775 25.20099 27.27681 
1 1 1   -6    8   63 o   51.586   14.059   6.3561   5.4958   8.5262   8.4828   4.7863   7.2146   55.739   20.872   47.434   18.841 8.304680 28.11788 
1 1 1   -6    8   64 o  111.098   10.106   35.537   6.0087   43.082   9.1205   29.750   7.9871  121.593   13.881  100.603   14.692 20.99001 20.21243 
1 1 1   -6    8   65 o   46.267   13.842   2.5791   5.8740   5.7256   9.3307   0.5135   7.5601   51.412   21.063   41.121   17.966 10.29014 27.68493 
1 1 1   -6    8   66 o  159.759   8.0339   72.985   6.8772   70.460   10.294   75.021   9.2425  156.650   12.161  162.868   10.502 -6.217682 16.06781 
1 1 1   -6    8   67 o   84.432   13.773   24.700   6.1231   25.780   9.2357   23.852   8.1791   85.229   20.337   83.635   18.581 1.593872 27.54694 
1 1 1   -6    8   68 o  122.715   9.8113   45.509   6.4060   44.662   9.8576   46.129   8.4283  120.509   15.138  124.922   12.486 -4.412704 19.62261 
1 1 1   -6    9    1 o  661.752   8.3014  1184.36   29.684  1185.97   42.095  1182.78   41.866  662.196   11.764  661.308   11.716 0.8882446 16.60273 
1 1 1   -6    9    3 o  553.446   7.1351  827.588   21.326  846.305   30.804  810.359   29.554  559.447   10.190  547.445   9.9904 12.00140 14.27020 
1 1 1   -6    9    4 o  535.855   6.9542  776.215   20.132  785.585   28.849  767.321   28.107  539.003   9.9048  532.707   9.7641 6.296265 13.90835 
1 1 1   -6    9    6 o  469.287   8.8798  595.472   22.518   0.0000   0.0000  595.472   22.518  ?   ?   469.287   8.8798      ?      ? 
1 1 1   -6    9    7 o  465.877   6.2483  586.638   15.724  595.453   22.596  578.362   21.895  469.266   8.9111  462.488   8.7610 6.777527 12.49654 
1 1 1   -6    9    8 o  268.358   4.5828  194.513   6.6405  198.228   9.6173  191.129   9.1801  270.803   6.5722  265.913   6.3888 4.890167 9.165691 
1 1 1   -6    9    9 o  281.993   4.6531  214.967   7.0898  213.082   10.061  216.825   9.9922  280.764   6.6317  283.222   6.5290 -2.457428 9.306273 
1 1 1   -6    9   11 o  340.535   5.0870  313.486   9.3597  314.265   13.351  312.734   13.125  340.949   7.2467  340.121   7.1412 0.8288574 10.17409 
1 1 1   -6    9   12 o  911.383   11.084  2250.63   54.587  2250.33   77.238  2250.92   77.157  911.322   15.685  911.445   15.666 -0.1227417 22.16814 
1 1 1   -6    9   13 o  360.303   5.2568  350.915   10.231  353.393   14.687  348.577   14.261  361.537   7.5177  359.070   7.3499 2.466614 10.51367 
1 1 1   -6    9   14 o  501.922   8.0573  690.584   21.023  648.198   34.271  716.157   26.620  489.294   12.962  514.549   9.5741 -25.25473 16.11454 
1 1 1   -6    9   15 o  279.036   9.4093  210.608   14.188  210.608   14.188   0.0000   0.0000  279.036   9.4093  ?   ?       ?      ? 
1 1 1   -6    9   17 o  450.867   12.350  550.450   30.088  550.450   30.088   0.0000   0.0000  450.867   12.350  ?   ?       ?      ? 
1 1 1   -6    9   18 o  353.975   7.4849  338.703   14.308  327.703   19.820  350.676   20.676  347.982   10.540  359.968   10.630 -11.98578 14.96973 
1 1 1   -6    9   19 o  427.411   7.2566  496.073   15.777  488.964   27.306  499.635   19.329  424.999   11.890  429.824   8.3222 -4.825073 14.51320 
1 1 1   -6    9   20 o  828.699   10.168  1860.51   45.532  1855.29   64.341  1865.74   64.442  827.534   14.388  829.863   14.371 -2.328918 20.33571 
1 1 1   -6    9   21 o  516.636   6.7727  721.945   18.905  725.233   26.990  718.779   26.487  517.787   9.6465  515.486   9.5090 2.300476 13.54535 
1 1 1   -6    9   22 o  481.869   6.4526  627.594   16.797  612.213   23.409  643.915   24.115  475.789   9.1050  487.950   9.1457 -12.16107 12.90518 
1 1 1   -6    9   23 o  507.904   6.7009  697.653   18.391  693.744   26.026  701.553   25.991  506.481   9.5094  509.327   9.4436 -2.846039 13.40186 
1 1 1   -6    9   24 o  933.161   11.364  2358.83   57.299  2345.80   80.702  2372.07   81.369  930.566   16.049  935.756   16.092 -5.189819 22.72707 
1 1 1   -6    9   25 o  998.394   12.094  2700.56   65.244  2704.87   92.492  2696.29   92.047  999.183   17.131  997.605   17.075 1.578003 24.18712 
1 1 1   -6    9   26 o  582.354   7.4885  917.034   23.563  906.746   33.080  927.631   33.572  579.040   10.572  585.668   10.608 -6.628723 14.97697 
1 1 1   -6    9   27 o  438.885   6.0954  520.717   14.454  521.589   20.588  519.869   20.298  439.246   8.6741  438.525   8.5660 0.7217712 12.19082 
1 1 1   -6    9   28 o  398.392   5.7418  429.024   12.360  422.508   17.411  435.645   17.549  395.342   8.1502  401.442   8.0900 -6.100739 11.48363 
1 1 1   -6    9   29 o  556.776   7.2520  838.319   21.818  832.276   30.800  844.405   30.911  554.761   10.274  558.791   10.237 -4.029846 14.50392 
1 1 1   -6    9   30 o  891.885   10.900  2152.74   52.517  2117.43   73.171  2190.25   75.419  884.359   15.312  899.412   15.518 -15.05261 21.80038 
1 1 1   -6    9   32 o  326.894   5.4377  288.072   9.5859  301.206   14.111  276.817   13.062  333.790   7.8236  319.998   7.5542 13.79230 10.87543 
1 1 1   -6    9   33 o  1214.46   14.627  4002.74   95.968  3949.53  133.974  4058.82  137.534  1206.21   20.555  1222.71   20.816 -16.50098 29.25409 
1 1 1   -6    9   34 o  341.845   5.5842  315.939   10.310  302.600   14.486  329.630   14.677  334.530   8.0138  349.160   7.7790 -14.62915 11.16840 
1 1 1   -6    9   35 o  407.964   6.1005  450.109   13.446  438.350   18.980  461.957   19.051  402.610   8.7240  413.318   8.5297 -10.70728 12.20099 
1 1 1   -6    9   36 o  626.825   8.1271  1063.33   27.526  1049.98   38.718  1076.97   39.141  622.847   11.504  630.803   11.483 -7.956116 16.25411 
1 1 1   -6    9   37 o  356.694   6.0482  344.247   11.652  334.681   16.552  353.647   16.407  351.772   8.7075  361.616   8.3966 -9.843018 12.09642 
1 1 1   -6    9   38 f  658.600   8.4702  1173.87   30.135  1148.29   41.985  1201.05   43.279  651.209   11.931  665.991   12.026 -14.78162 16.94040 
1 1 1   -6    9   39 o  628.623   8.1536  1069.41   27.685  1041.27   38.469  1099.64   39.873  620.059   11.481  637.187   11.580 -17.12799 16.30714 
1 1 1   -6    9   40 o  371.911   6.0438  374.342   12.143  367.371   17.261  381.172   17.085  368.475   8.6690  375.348   8.4238 -6.872375 12.08764 
1 1 1   -6    9   41 o  211.314   6.3216  120.974   7.2049  119.387   10.478  122.397   9.9234  209.985   9.2339  212.644   8.6362 -2.659134 12.64312 
1 1 1   -6    9   42 o  363.922   5.9704  358.577   11.738  355.554   16.730  361.507   16.474  362.403   8.5433  365.441   8.3424 -3.038086 11.94086 
1 1 1   -6    9   43 o  351.803   5.8981  335.193   11.209  327.669   15.902  342.624   15.803  347.867   8.4597  355.738   8.2209 -7.871368 11.79620 
1 1 1   -6    9   44 o  336.469   5.8694  306.763   10.667  302.779   15.250  310.581   14.926  334.314   8.4418  338.624   8.1570 -4.309784 11.73887 
1 1 1   -6    9   45 o  297.997   6.8694  241.112   10.395  240.315   18.098  241.504   12.699  297.422   11.261  298.573   7.8708 -1.151733 13.73887 
1 1 1   -6    9   46 o  343.551   8.1203  320.946   15.071  311.261   21.192  330.856   21.438  338.287   11.593  348.816   11.373 -10.52902 16.24055 
1 1 1   -6    9   47 o  229.711   11.700  143.761   14.523  143.761   14.523   0.0000   0.0000  229.711   11.700  ?   ?       ?      ? 
1 1 1   -6    9   48 o  203.585   7.8517  103.354   7.6793  134.189   15.574   93.448   8.8271  221.656   13.002  185.514   8.8055 36.14230 15.70343 
1 1 1   -6    9   49 o  167.208   8.7048   73.245   6.9935   83.356   13.816   69.762   8.1090  174.253   14.673  160.164   9.3695 14.08908 17.40952 
1 1 1   -6    9   50 o  163.006   6.9095   71.990   6.0653   77.440   9.0462   67.540   8.1752  168.555   9.9319  157.456   9.6084 11.09854 13.81898 
1 1 1   -6    9   51 o  229.456   8.8785  143.564   10.958  153.469   16.483  135.721   14.668  236.406   12.903  222.507   12.199 13.89935 17.75703 
1 1 1   -6    9   52 o  148.162   11.239   60.729   8.9797   64.865   13.219   57.185   12.236  152.799   16.010  143.525   15.777 9.273865 22.47774 
1 1 1   -6    9   53 o  270.069   7.4626  205.305   10.028  185.653   17.630  214.706   12.193  259.436   12.575  280.703   8.0385 -21.26642 14.92512 
1 1 1   -6    9   54 o  128.081   8.1622   44.919   5.6326   48.765   8.3587   41.720   7.6234  133.056   11.626  123.105   11.460 9.951805 16.32441 
1 1 1   -6    9   55 o  151.550   7.2296   63.300   5.8796   61.468   8.7721   64.795   7.9227  149.387   10.867  153.713   9.5384 -4.326096 14.45921 
1 1 1   -6    9   56 o   71.574   12.876   15.760   5.2894   8.3573   7.9294   21.694   7.0997   56.704   20.349   86.445   15.780 -29.74163 25.75108 
1 1 1   -6    9   57 o  270.184   5.8045  199.224   8.4469  209.721   12.571  190.582   11.406  276.552   8.4118  263.816   8.0007 12.73572 11.60904 
1 1 1   -6    9   58 o  290.194   5.8354  231.238   9.1404  224.976   13.120  237.144   12.741  286.249   8.4821  294.139   8.0163 -7.889771 11.67076 
1 1 1   -6    9   59 o  113.315   9.7304   37.557   5.7309   28.070   8.4741   45.553   7.7797   98.822   15.869  127.807   11.265 -28.98459 19.46077 
1 1 1   -6    9   60 o  153.821   8.8754   66.580   6.9048   67.252   12.100   66.255   8.4082  153.235   14.613  154.406   10.077 -1.171265 17.75076 
1 1 1   -6    9   61 o  172.450   7.2011   82.626   6.6975   86.127   9.8483   79.612   9.1352  175.745   10.370  169.155   9.9941 6.590179 14.40225 
1 1 1   -6    9   62 o  128.627   10.685   50.318   7.0041   61.858   9.3629   35.653   10.554  148.000   11.707  109.255   17.877 38.74506 21.36980 
1 1 1   -6    9   63 o  146.422   8.1395   60.859   6.4062   58.307   9.4223   63.052   8.7361  143.164   12.180  149.681   10.801 -6.516708 16.27898 
1 1 1   -6    9   64 o   55.692   13.897   7.3254   5.7255   16.777   8.7952   0.3747   7.5425   70.629   21.285   40.756   17.872 29.87320 27.79330 
1 1 1   -6    9   65 o  140.485   8.8733   56.227   6.7040   63.259   10.068   50.625   8.9859  148.290   12.564  132.679   12.533 15.61177 17.74665 
1 1 1   -6    9   66 o   75.226   14.254   18.616   6.0458   26.096   9.2149   12.963   8.0110   88.430   19.780   62.021   20.529 26.40886 28.50772 
1 1 1   -6    9   67 o  125.516   9.6788   47.780   6.4414   43.879   9.7928   50.755   8.5518  119.522   15.162  131.510   12.034 -11.98724 19.35755 
1 1 1   -6    9   68 o   39.948   12.770  -0.2588   5.9167  -3.0373   9.2091   1.6944   7.7211   38.868   18.084   41.028   18.035 -2.159706 25.53960 
1 1 1   -6   10    1 o  364.333   5.3803  358.795   10.591  353.484   14.861  364.278   15.099  361.594   7.6055  367.073   7.6123 -5.479187 10.76064 
1 1 1   -6   10    3 o  130.908   7.1300   46.326   5.0436   0.0000   0.0000   46.326   5.0436  ?   ?   130.908   7.1300      ?      ? 
1 1 1   -6   10    4 o  619.771   7.8705  1039.05   26.355  1048.83   37.636  1029.64   36.918  622.628   11.186  616.914   11.075 5.714417 15.74096 
1 1 1   -6   10    5 o  721.625   8.9624  1408.31   34.926  1439.31   50.495  1379.87   48.359  729.219   12.814  714.031   12.534 15.18823 17.92490 
1 1 1   -6   10    9 o  435.566   8.4968  513.020   19.998   0.0000   0.0000  513.020   19.998  ?   ?   435.566   8.4968      ?      ? 
1 1 1   -6   10   11 o  915.875   15.793  2273.38   78.160  2273.38   78.160   0.0000   0.0000  915.875   15.793  ?   ?       ?      ? 
1 1 1   -6   10   12 o  549.295   14.329  817.342   42.533  817.342   42.533   0.0000   0.0000  549.295   14.329  ?   ?       ?      ? 
1 1 1   -6   10   15 o  556.161   14.496  838.288   43.565  838.288   43.565   0.0000   0.0000  556.161   14.496  ?   ?       ?      ? 
1 1 1   -6   10   16 o  129.836   7.8157   45.688   5.4214   55.068   7.8350   37.072   7.5093  142.656   10.164  117.016   11.876 25.63993 15.63148 
1 1 1   -6   10   17 o  686.330   10.495  1290.73   37.280  1225.90   61.591  1328.22   46.834  672.260   16.955  700.400   12.374 -28.14069 20.99028 
1 1 1   -6   10   18 o  581.565   7.4673  915.058   23.465  905.863   32.968  924.499   33.406  578.606   10.544  584.525   10.576 -5.918884 14.93460 
1 1 1   -6   10   19 o  223.233   4.7583  134.712   5.7363  134.928   8.2625  134.510   7.9700  223.404   6.8444  223.062   6.6122 0.3417358 9.516666 
1 1 1   -6   10   20 o  109.989   6.2630   32.748   3.6824   32.503   5.6249   32.932   4.8713  109.621   9.4959  110.357   8.1687 -0.7359543 12.52595 
1 1 1   -6   10   21 o  497.653   6.6176  669.745   17.794  671.609   25.364  667.938   24.969  498.332   9.4191  496.975   9.2978 1.357330 13.23514 
1 1 1   -6   10   22 o  502.077   6.6752  681.718   18.110  679.249   25.648  684.174   25.575  501.169   9.4707  502.985   9.4095 -1.816406 13.35038 
1 1 1   -6   10   23 o  870.576   10.672  2052.21   50.201  2063.46   71.517  2041.27   70.483  872.920   15.162  868.232   15.023 4.688477 21.34412 
1 1 1   -6   10   24 o  408.414   5.8187  450.397   12.827  462.097   18.668  439.932   17.655  413.428   8.3562  403.399   8.0994 10.02911 11.63734 
1 1 1   -6   10   25 f  604.996   7.7769  989.608   25.420  972.546   35.569  1007.42   36.343  599.669   10.977  610.323   11.020 -10.65479 15.55388 
1 1 1   -6   10   26 o  726.059   9.0564  1425.47   35.521  1400.55   49.510  1451.91   50.993  719.527   12.734  732.590   12.881 -13.06305 18.11283 
1 1 1   -6   10   27 o  1001.93   12.154  2718.29   65.796  2687.32   92.080  2750.59   94.049  996.117   17.107  1007.75   17.271 -11.63446 24.30891 
1 1 1   -6   10   28 o  1309.88   15.713  4653.96  111.188  4588.46  155.007  4723.38  159.580  1300.43   22.058  1319.33   22.384 -18.89832 31.42641 
1 1 1   -6   10   29 o  1047.43   12.683  2972.22   71.781  2944.25  100.679  3001.14  102.370  1042.43   17.873  1052.44   18.001 -10.00244 25.36693 
1 1 1   -6   10   30 o  905.611   11.081  2218.98   54.193  2171.55   75.110  2270.48   78.268  895.544   15.521  915.677   15.818 -20.13312 22.16106 
1 1 1   -6   10   31 o  198.060   5.5677  106.219   5.9484   99.784   8.4604  112.510   8.3650  192.114   8.1497  204.007   7.5881 -11.89270 11.13544 
1 1 1   -6   10   32 o  879.610   10.805  2095.64   51.351  2075.08   72.056  2116.86   73.200  875.233   15.236  883.987   15.324 -8.753540 21.60913 
1 1 1   -6   10   33 o  323.513   5.5497  283.058   9.6993  278.409   13.794  287.605   13.641  320.882   7.9553  326.145   7.7402 -5.263580 11.09939 
1 1 1   -6   10   34 f  226.683   5.7992  138.837   7.0891  140.581   10.390  137.318   9.6965  228.009   8.4332  225.357   7.9626 2.651978 11.59835 
1 1 1   -6   10   35 o  961.073   11.764  2504.68   61.092  2504.53   86.584  2504.82   86.212  961.038   16.673  961.108   16.600 -0.7006836E-01 23.52748 
1 1 1   -6   10   36 o  337.436   5.8832  307.549   10.718  290.064   14.893  326.330   15.436  327.497   8.4158  347.375   8.2232 -19.87802 11.76636 
1 1 1   -6   10   37 o  306.122   5.9817  252.809   9.8662  261.642   14.614  245.411   13.374  311.013   8.6956  301.230   8.2164 9.782867 11.96338 
1 1 1   -6   10   38 o  1052.35   12.823  3002.22   72.776  2892.78   99.264  3129.42  107.014  1031.78   17.804  1072.92   18.458 -41.14246 25.64526 
1 1 1   -6   10   39 o  640.616   8.2894  1109.91   28.669  1071.14   39.525  1152.94   41.646  628.843   11.632  652.389   11.814 -23.54596 16.57886 
1 1 1   -6   10   40 o  126.977   8.9380   43.751   6.1251   43.274   8.8593   44.189   8.4777  126.299   12.981  127.655   12.290 -1.355331 17.87598 
1 1 1   -6   10   41 o  541.705   7.3469  794.666   21.499  774.602   29.970  815.935   30.858  534.668   10.373  548.742   10.407 -14.07452 14.69374 
1 1 1   -6   10   42 o  160.889   7.3616   70.485   6.3660   66.216   9.3177   74.222   8.7179  156.268   11.034  165.511   9.7476 -9.243393 14.72325 
1 1 1   -6   10   43 o  506.503   7.0306  694.875   19.233  670.809   26.698  720.837   27.729  497.398   9.9331  515.609   9.9525 -18.21066 14.06125 
1 1 1   -6   10   44 o  328.492   7.0818  293.293   11.845  291.216   20.493  294.335   14.515  327.385   11.584  329.600   8.1498 -2.214935 14.16358 
1 1 1   -6   10   45 o   97.691   14.593   26.101   7.6908   39.797   11.675   15.601   10.222  120.446   17.938   74.936   23.022 45.50952 29.18567 
1 1 1   -6   10   46 o  278.501   11.543  211.171   17.371  211.171   17.371   0.0000   0.0000  278.501   11.543  ?   ?       ?      ? 
1 1 1   -6   10   47 f  325.423   5.9423  287.402   10.430  287.672   15.223  287.163   14.319  325.523   8.6543  325.323   8.1452 0.1995850 11.88455 
1 1 1   -6   10   48 o  380.787   7.6746  393.278   14.459  399.324   26.514  390.719   17.249  382.237   12.837  379.337   8.4148 2.899780 15.34916 
1 1 1   -6   10   49 o  442.073   6.4949  531.963   15.511  521.680   22.052  542.031   21.820  437.797   9.3214  446.349   9.0469 -8.552887 12.98983 
1 1 1   -6   10   50 o  193.655   8.0298  100.813   8.0237   96.860   9.8801  108.468   13.751  188.495   9.7001  198.815   12.799 -10.31984 16.05962 
1 1 1   -6   10   51 o  276.305   8.6234  209.029   12.834  186.689   17.740  233.559   18.589  260.710   12.592  291.901   11.785 -31.19144 17.24688 
1 1 1   -6   10   52 o   54.551   16.090   2.3961   7.8453   5.6847   12.032  -0.0359   10.347   59.734   24.124   49.368   21.297 10.36546 32.17920 
1 1 1   -6   10   53 o   51.676   12.974   3.1493   5.1936   13.582   8.1239  -4.0619   6.7541   68.322   20.426   35.029   16.002 33.29364 25.94807 
1 1 1   -6   10   54 o  227.209   6.0088  141.282   7.3447  138.170   10.841  143.922   9.9856  224.763   8.9260  229.655   8.0466 -4.892212 12.01751 
1 1 1   -6   10   55 o  165.398   6.9765   74.883   6.2088   78.724   9.3008   71.796   8.3389  169.115   10.178  161.682   9.5446 7.433105 13.95297 
1 1 1   -6   10   56 f  125.649   8.7002   43.529   5.8660   47.237   8.9555   40.743   7.7633  130.165   12.732  121.134   11.860 9.030876 17.40045 
1 1 1   -6   10   57 o  343.839   6.0257  324.554   11.191  311.789   15.733  337.626   15.921  336.919   8.6418  350.759   8.3996 -13.84061 12.05131 
1 1 1   -6   10   58 o  154.646   7.5577   66.781   6.2661   62.383   9.2599   70.496   8.5107  149.615   11.454  159.678   9.8635 -10.06218 15.11531 
1 1 1   -6   10   59 o  188.456   6.6127   98.177   6.6945   98.532   10.028   97.891   8.9916  188.531   9.8433  188.382   8.8330 0.1490326 13.22546 
1 1 1   -6   10   60 o   36.636   11.869  -5.5243   5.3376   0.3132   8.2131  -9.7925   7.0228   43.304   18.827   29.968   14.459 13.33576 23.73828 
1 1 1   -6   10   61 o   93.400   13.857   27.505   6.3986   24.504   11.461   28.864   7.7123   86.471   23.785  100.328   14.226 -13.85719 27.71441 
1 1 1   -6   10   62 o   40.538   13.044  -5.7339   6.5451 -12.9761   9.0356   2.2613   9.4937   33.170   16.098   47.906   20.528 -14.73645 26.08757 
1 1 1   -6   10   63 o   65.816   15.593   14.028   6.5188   12.538   8.8237   15.820   9.6727   62.680   21.547   68.952   22.546 -6.271866 31.18640 
1 1 1   -6   10   64 o   53.113   14.579   7.4791   5.9632   8.2640   8.9074   6.8416   8.0275   54.781   21.177   51.445   20.043 3.335896 29.15758 
1 1 1   -6   10   65 o   35.886   11.964  -9.1111   6.0736  -1.1866   9.1513 -15.3497   8.1197   42.648   19.135   29.124   14.365 13.52471 23.92703 
1 1 1   -6   10   66 o   54.010   14.693   9.1393   6.0691   13.356   9.2693   5.9749   8.0295   60.370   21.955   47.650   19.533 12.72003 29.38597 
1 1 1   -6   10   67 o   47.081   14.179   4.2041   6.3177   1.9959   10.149   5.6012   8.0725   46.244   20.486   47.917   19.607 -1.673050 28.35703 
1 1 1   -6   11    2 o  620.161   7.8998  1040.61   26.472  1045.90   37.650  1035.44   37.229  621.717   11.207  618.605   11.137 3.112488 15.79965 
1 1 1   -6   11    4 o  739.887   9.2233  1479.65   36.830  1435.94   50.579  1528.98   53.735  728.297   12.852  751.476   13.233 -23.17902 18.44667 
1 1 1   -6   11    5 o  837.965   12.580  1911.77   54.081  1928.01   66.879  1881.08   91.927  843.641   14.670  832.289   20.440 11.35168 25.15984 
1 1 1   -6   11    6 o  941.027   14.063  2400.77   67.310  2394.03   82.271  2414.41  117.062  939.799   16.200  942.255   22.991 -2.455872 28.12541 
1 1 1   -6   11    7 o  536.850   9.8852  779.596   28.649  802.477   41.630  759.009   39.487  544.308   14.154  529.393   13.804 14.91486 19.77042 
1 1 1   -6   11    8 o  675.834   12.005  1238.33   43.835  1224.55   61.357  1252.70   62.646  672.006   16.897  679.663   17.057 -7.657654 24.00944 
1 1 1   -6   11    9 o  698.784   17.494  1324.55   66.058   0.0000   0.0000  1324.55   66.058  ?   ?   698.784   17.494      ?      ? 
1 1 1   -6   11   13 o  588.838   9.3167  932.372   27.695  958.333   49.146  920.292   33.524  594.538   15.298  583.137   10.639 11.40070 18.63341 
1 1 1   -6   11   14 o  660.243   11.783  1180.12   42.037   0.0000   0.0000  1180.12   42.037  ?   ?   660.243   11.783      ?      ? 
1 1 1   -6   11   15 o  319.260   5.1280  275.640   8.8447  269.563   12.530  281.676   12.487  315.749   7.3435  322.771   7.1594 -7.022064 10.25595 
1 1 1   -6   11   16 o  473.809   6.4310  607.088   16.464  597.760   23.092  616.730   23.479  470.109   9.0904  477.509   9.0991 -7.400635 12.86196 
1 1 1   -6   11   17 o  274.763   4.9149  204.008   7.2945  196.184   10.207  212.175   10.429  269.380   7.0119  280.146   6.8890 -10.76651 9.829846 
1 1 1   -6   11   18 o  292.425   5.0252  231.235   7.9385  225.617   11.246  236.815   11.207  288.881   7.2046  295.969   7.0075 -7.087494 10.05039 
1 1 1   -6   11   19 o  579.479   7.4857  907.894   23.432  890.056   32.626  926.898   33.675  573.607   10.526  585.351   10.646 -11.74323 14.97150 
1 1 1   -6   11   20 o  914.504   11.163  2265.40   55.165  2255.84   77.747  2275.09   78.285  912.565   15.766  916.443   15.808 -3.878540 22.32670 
1 1 1   -6   11   21 o  792.710   9.8065  1700.83   42.002  1682.02   58.900  1720.29   59.913  788.257   13.828  797.164   13.909 -8.907288 19.61290 
1 1 1   -6   11   22 o  482.053   6.5300  628.331   17.009  623.195   24.008  633.507   24.102  480.074   9.2548  484.031   9.2148 -3.957245 13.06002 
1 1 1   -6   11   23 o  330.167   5.2985  294.709   9.4515  292.101   13.457  297.247   13.277  328.724   7.5760  331.610   7.4096 -2.886261 10.59706 
1 1 1   -6   11   24 o  368.351   7.7903  366.766   15.506   0.0000   0.0000  366.766   15.506  ?   ?   368.351   7.7903      ?      ? 
1 1 1   -6   11   25 o  765.588   9.5144  1584.53   39.338  1549.22   54.500  1622.93   56.837  756.702   13.329  774.474   13.581 -17.77216 19.02889 
1 1 1   -6   11   26 o  1079.81   13.053  3157.79   76.134  3104.76  105.921  3214.48  109.508  1070.46   18.311  1089.16   18.607 -18.70068 26.10576 
1 1 1   -6   11   27 o  238.692   7.0069  154.000   9.0376   0.0000   0.0000  154.000   9.0376  ?   ?   238.692   7.0069      ?      ? 
1 1 1   -6   11   28 o  146.855   6.2505   58.386   4.8914   57.841   7.5556   58.779   6.4178  146.256   9.5602  147.455   8.0545 -1.199005 12.50093 
1 1 1   -6   11   29 o  1137.60   13.751  3506.93   84.502  3450.05  117.636  3567.57  121.463  1128.10   19.298  1147.09   19.596 -18.99109 27.50246 
1 1 1   -6   11   30 o  787.200   9.7950  1674.37   41.610  1619.91   57.077  1736.14   60.788  773.586   13.654  800.814   14.048 -27.22809 19.59005 
1 1 1   -6   11   31 o  516.485   7.0003  720.233   19.518  691.266   26.894  752.469   28.371  505.536   9.8451  527.434   9.9545 -21.89828 14.00064 
1 1 1   -6   11   32 o  497.832   6.8580  670.276   18.447  661.083   25.900  679.742   26.281  494.368   9.6954  501.296   9.7020 -6.927948 13.71598 
1 1 1   -6   11   33 o  1206.57   14.570  3952.16   94.974  3901.23  132.698  4005.64  135.989  1198.64   20.488  1214.50   20.721 -15.86511 29.13950 
1 1 1   -6   11   34 o  967.672   11.845  2538.81   61.926  2506.93   86.650  2572.09   88.533  961.480   16.678  973.864   16.824 -12.38397 23.68929 
1 1 1   -6   11   35 f  782.347   9.7997  1655.69   41.389  1606.90   57.026  1710.00   60.165  770.208   13.702  794.487   14.014 -24.27850 19.59937 
1 1 1   -6   11   36 o  304.280   5.9366  250.473   9.7589  245.396   13.843  255.489   13.760  301.209   8.5049  307.350   8.2849 -6.140594 11.87323 
1 1 1   -6   11   38 f  662.456   8.5485  1188.57   30.596  1167.62   42.811  1210.44   43.743  656.494   12.068  668.419   12.111 -11.92468 17.09694 
1 1 1   -6   11   39 o  315.628   5.9498  269.305   10.140  277.363   14.688  261.968   14.016  320.129   8.4909  311.126   8.3368 9.002106 11.89954 
1 1 1   -6   11   40 o  284.895   5.8942  219.853   9.0614  205.820   12.781  234.034   12.849  275.733   8.5782  294.057   8.0860 -18.32437 11.78849 
1 1 1   -6   11   41 o  518.959   7.1555  727.207   20.027  687.420   27.307  773.517   29.460  503.667   10.033  534.251   10.205 -30.58395 14.31096 
1 1 1   -6   11   42 f  462.102   6.6805  577.833   16.668  551.338   23.065  606.799   24.116  451.028   9.4635  473.175   9.4318 -22.14703 13.36104 
1 1 1   -6   11   43 o  428.301   8.8765  498.484   20.533  476.802   28.646  521.396   29.447  418.705   12.661  437.897   12.445 -19.19162 17.75291 
1 1 1   -6   11   44 o  475.193   9.4337  614.579   24.190  625.676   35.277  604.730   33.235  479.154   13.625  471.232   13.052 7.922241 18.86743 
1 1 1   -6   11   45 o  408.970   9.1786  454.006   20.284  454.006   20.284   0.0000   0.0000  408.970   9.1786  ?   ?       ?      ? 
1 1 1   -6   11   46 o  235.731   6.1919  151.372   7.8607  141.982   11.347  160.036   10.900  228.620   9.1848  242.841   8.3065 -14.22029 12.38381 
1 1 1   -6   11   47 o  484.462   8.6360  634.410   20.711  655.856   38.103  625.417   24.674  489.268   14.412  479.656   9.5195 9.612610 17.27199 
1 1 1   -6   11   48 o  429.350   6.4755  501.638   15.017  493.372   21.434  509.609   21.047  425.824   9.3149  432.876   8.9977 -7.051636 12.95092 
1 1 1   -6   11   49 o  321.736   5.9286  281.578   10.305  275.382   14.601  287.725   14.545  318.182   8.4924  325.289   8.2748 -7.107635 11.85723 
1 1 1   -6   11   50 f   94.472   16.456   26.156   8.2945   28.491   12.597   24.369   11.021   98.015   23.980   90.928   22.542 7.086807 32.91225 
1 1 1   -6   11   51 o  151.769   11.413   64.437   9.2977   56.374   13.195   72.387   13.103  141.990   17.198  161.548   15.010 -19.55841 22.82699 
1 1 1   -6   11   52 o   65.126   15.959   10.962   6.3264   12.511   12.065   10.374   7.4296   69.328   25.073   60.924   19.751 8.404732 31.91797 
1 1 1   -6   11   53 o  220.144   6.0706  132.043   7.1798  135.357   10.805  129.422   9.6080  222.497   8.9866  217.791   8.1640 4.706970 12.14128 
1 1 1   -6   11   54 o  126.559   8.6261   44.748   5.8368   41.323   8.6949   47.557   7.8748  121.841   13.206  131.276   11.101 -9.434387 17.25229 
1 1 1   -6   11   55 o  188.820   6.6424   97.847   6.7252   98.689   10.177   97.193   8.9605  189.354   9.9461  188.287   8.8069 1.066208 13.28478 
1 1 1   -6   11   56 o  196.245   9.6379  106.156   10.220  106.156   10.220   0.0000   0.0000  196.245   9.6379  ?   ?       ?      ? 
1 1 1   -6   11   57 o   57.333   13.636   9.1673   5.3136   3.8160   8.1906   13.056   6.9823   48.759   19.828   65.907   18.725 -17.14827 27.27211 
1 1 1   -6   11   58 o   43.075   13.002   1.1188   5.3057   0.5729   8.1661   1.5176   6.9796   43.832   18.914   42.318   17.846 1.513817 26.00381 
1 1 1   -6   11   59 o  200.750   6.5285  111.323   7.0422  113.650   10.577  109.469   9.4383  202.398   9.6709  199.102   8.7726 3.295959 13.05701 
1 1 1   -6   11   60 o  179.563   6.9536   89.602   6.7184   89.779   9.9697   89.455   9.0931  179.494   10.279  179.633   9.3679 -0.1388855 13.90724 
1 1 1   -6   11   61 o   62.533   14.870   5.4722   6.3131   25.541   11.896  -2.3950   7.4485   87.180   24.328   37.885   17.107 49.29522 29.74065 
1 1 1   -6   11   62 o   69.693   15.573   12.267   6.4352   26.689   11.915   6.3285   7.6462   88.678   24.194   50.707   19.615 37.97035 31.14629 
1 1 1   -6   11   63 o  134.801   10.238   51.870   7.3260   42.180   9.4271   66.644   11.640  119.341   14.618  150.260   14.336 -30.91956 20.47501 
1 1 1   -6   11   64 o   99.379   11.918   35.414   6.7547   2.9272   9.8718   64.015   9.2625   48.777   20.918  149.981   11.429 -101.2041 23.83668 
1 1 1   -6   11   65 o  156.642   8.1833   71.034   6.8687   72.442   10.435   69.957   9.1243  157.337   12.273  155.947   10.828 1.389786 16.36667 
1 1 1   -6   11   66 o  105.055   12.201   34.046   6.6505   44.691   10.500   26.915   8.5938  119.670   16.238   90.439   18.215 29.23159 24.40198 
1 1 1   -6   11   67 o   51.714   14.755   8.3635   6.3235   8.2283   9.7090   8.4632   8.3333   51.942   21.407   51.485   20.313 0.4564171 29.51053 
1 1 1   -6   12    1 o  508.168   9.4506  698.865   25.939  684.234   36.012  714.640   37.392  502.654   13.258  513.681   13.471 -11.02756 18.90110 
1 1 1   -6   12    2 o  850.465   14.764  1965.29   67.843  1981.31   96.722  1949.78   95.185  853.856   20.963  847.074   20.795 6.782471 29.52744 
1 1 1   -6   12    3 o  579.608   10.526  910.312   32.967  905.180   46.408  915.541   46.839  577.962   14.859  581.254   14.913 -3.292053 21.05209 
1 1 1   -6   12    4 o  697.830   12.364  1320.09   46.595  1293.02   64.544  1349.55   67.336  690.395   17.301  705.265   17.669 -14.86981 24.72872 
1 1 1   -6   12    5 o  382.222   7.8129  395.381   16.137  393.468   22.811  397.297   22.831  381.296   11.071  383.149   11.027 -1.853271 15.62587 
1 1 1   -6   12    6 o  179.451   9.5655   87.117   9.2755   0.0000   0.0000   87.117   9.2755  ?   ?   179.451   9.5655      ?      ? 
1 1 1   -6   12    8 o  425.352   12.042  489.865   27.679   0.0000   0.0000  489.865   27.679  ?   ?   425.352   12.042      ?      ? 
1 1 1   -6   12    9 o  293.607   7.4178  228.098   11.594  263.513   18.432  204.910   14.914  312.025   10.932  275.188   10.030 36.83661 14.83566 
1 1 1   -6   12   10 o  466.341   12.713  588.964   32.037   0.0000   0.0000  588.964   32.037  ?   ?   466.341   12.713      ?      ? 
1 1 1   -6   12   11 o  621.933   7.9779  1046.94   26.811  1044.61   37.955  1049.26   37.879  621.239   11.306  622.626   11.259 -1.386536 15.95579 
1 1 1   -6   12   12 o  537.687   9.9998  782.176   29.054   0.0000   0.0000  782.176   29.054  ?   ?   537.687   9.9998      ?      ? 
1 1 1   -6   12   13 o  383.020   5.6468  396.732   11.685  395.048   16.660  398.362   16.394  382.217   8.0663  383.823   7.9044 -1.606323 11.29355 
1 1 1   -6   12   14 o  703.490   12.481  1339.85   47.445   0.0000   0.0000  1339.85   47.445  ?   ?   703.490   12.481      ?      ? 
1 1 1   -6   12   15 o  768.403   9.5483  1598.96   39.646  1597.33   56.159  1600.57   55.977  768.011   13.532  768.795   13.474 -0.7847290 19.09650 
1 1 1   -6   12   17 o  1024.96   12.440  2847.88   68.900  2844.25   97.420  2851.51   97.459  1024.30   17.601  1025.61   17.585 -1.308594 24.88032 
1 1 1   -6   12   18 o  922.279   11.269  2304.13   56.160  2290.92   79.080  2317.57   79.769  919.615   15.914  924.943   15.960 -5.327087 22.53809 
1 1 1   -6   12   19 o  1092.71   13.220  3237.18   78.057  3255.33  111.161  3219.52  109.633  1095.72   18.774  1089.71   18.618 6.011597 26.44100 
1 1 1   -6   12   20 o  913.942   11.181  2261.61   55.210  2234.17   77.252  2290.27   78.931  908.285   15.740  919.598   15.884 -11.31378 22.36172 
1 1 1   -6   12   21 o  524.774   6.9756  744.589   19.780  734.865   27.800  754.556   28.148  521.305   9.8689  528.243   9.8612 -6.938354 13.95129 
1 1 1   -6   12   22 o  380.770   5.6866  391.876   11.697  394.088   16.763  389.776   16.330  381.815   8.1248  379.725   7.9586 2.090790 11.37330 
1 1 1   -6   12   23 o  450.672   6.3172  549.098   15.384  548.947   21.834  549.246   21.679  450.610   8.9668  450.735   8.9008 -0.1246643 12.63440 
1 1 1   -6   12   24 o  825.941   10.192  1845.27   45.469  1811.51   63.239  1881.39   65.421  818.136   14.305  833.745   14.521 -15.60925 20.38337 
1 1 1   -6   12   25 o  399.917   5.9095  432.451   12.767  428.631   18.222  436.135   17.893  398.178   8.4691  401.655   8.2440 -3.476654 11.81900 
1 1 1   -6   12   26 o  213.723   5.3048  123.548   6.1032  122.608   9.0147  124.344   8.2930  212.967   7.8334  214.479   7.1555 -1.512177 10.60955 
1 1 1   -6   12   27 o  693.777   8.7616  1301.88   32.841  1283.46   45.921  1321.16   46.985  688.760   12.338  698.795   12.443 -10.03503 17.52310 
1 1 1   -6   12   28 o  1194.39   14.401  3867.91   92.919  3810.31  129.482  3929.07  133.421  1185.26   20.217  1203.52   20.515 -18.26099 28.80264 
1 1 1   -6   12   30 o  617.598   8.0256  1032.13   26.783  1032.00   38.064  1032.26   37.691  617.555   11.407  617.641   11.293 -0.8648682E-01 16.05130 
1 1 1   -6   12   31 o  231.338   5.8625  145.086   7.3093  135.374   10.457  154.364   10.221  223.740   8.6492  238.935   7.9163 -15.19568 11.72501 
1 1 1   -6   12   32 o  566.437   7.5756  867.909   23.181  874.964   33.255  861.241   32.329  568.668   10.822  564.207   10.604 4.461304 15.15127 
1 1 1   -6   12   33 o  525.882   7.2395  748.268   20.571  739.562   29.068  757.003   29.116  522.814   10.289  528.951   10.187 -6.136414 14.47894 
1 1 1   -6   12   34 o  960.433   11.782  2500.91   61.131  2466.06   85.337  2537.64   87.613  953.586   16.561  967.280   16.762 -13.69440 23.56339 
1 1 1   -6   12   35 o  207.836   6.5829  117.232   7.3683  110.854   10.675  123.035   10.183  202.407   9.7600  213.266   8.8363 -10.85904 13.16579 
1 1 1   -6   12   36 o  458.719   6.7171  569.303   16.646  551.955   23.348  587.238   23.739  451.609   9.5676  465.830   9.4308 -14.22153 13.43419 
1 1 1   -6   12   37 o  547.877   10.542  812.708   31.210   0.0000   0.0000  812.708   31.210  ?   ?   547.877   10.542      ?      ? 
1 1 1   -6   12   38 f  471.389   6.7963  601.654   17.306  603.393   24.810  600.006   24.152  472.039   9.7266  470.738   9.4950 1.301361 13.59266 
1 1 1   -6   12   39 f  334.019   6.0098  302.109   10.843  292.831   15.348  311.353   15.320  328.887   8.6363  339.150   8.3597 -10.26300 12.01953 
1 1 1   -6   12   40 o  317.343   5.9075  272.746   10.120  270.396   14.618  274.909   14.023  316.014   8.5604  318.673   8.1434 -2.658936 11.81505 
1 1 1   -6   12   41 o  481.921   8.3523  633.000   20.526  622.973   35.321  638.112   25.222  478.638   13.657  485.204   9.6198 -6.566162 16.70456 
1 1 1   -6   12   42 o  286.441   8.0506  222.768   12.382  223.671   18.604  222.049   16.589  286.878   12.001  286.004   10.734 0.8737793 16.10121 
1 1 1   -6   12   43 o  497.029   9.7479  673.360   26.165  671.847   37.638  674.775   36.399  496.411   14.031  497.647   13.536 -1.235992 19.49580 
1 1 1   -6   12   44 o  295.713   7.9338  234.268   11.537  229.318   13.654  246.622   21.571  290.737   8.6912  300.689   13.276 -9.951477 15.86763 
1 1 1   -6   12   45 o  219.263   7.8720  131.210   8.9124  131.912   11.096  129.932   14.961  220.349   9.3192  218.176   12.690 2.173096 15.74405 
1 1 1   -6   12   46 o  384.121   7.7820  400.320   14.731  405.631   27.185  398.113   17.528  385.293   13.057  382.950   8.4704 2.343292 15.56409 
1 1 1   -6   12   47 o  195.911   6.7156  104.576   7.0388  103.436   10.704  105.444   9.3432  194.869   10.165  196.954   8.7790 -2.084961 13.43118 
1 1 1   -6   12   48 o  279.017   5.8611  210.437   8.7920  223.492   13.255  200.181   11.748  286.641   8.5576  271.394   8.0111 15.24750 11.72222 
1 1 1   -6   12   49 o  134.001   12.797   50.198   9.2402   46.126   13.097   54.234   13.038  128.393   18.877  139.610   17.283 -11.21710 25.59405 
1 1 1   -6   12   50 o  182.566   10.215   92.291   10.002   91.261   15.041   93.108   13.393  181.380   15.346  183.751   13.488 -2.370499 20.43079 
1 1 1   -6   12   51 o  225.652   9.1453  140.438   11.138  144.910   16.236  136.464   15.308  228.967   13.123  222.338   12.741 6.629028 18.29053 
1 1 1   -6   12   52 o  341.839   6.0065  319.220   11.076  315.432   16.088  322.634   15.272  339.797   8.7617  343.882   8.2184 -4.084625 12.01290 
1 1 1   -6   12   53 o  229.493   6.1520  143.434   7.5864  150.035   11.448  138.265   10.130  234.063   9.0510  224.924   8.3348 9.138458 12.30406 
1 1 1   -6   12   54 o  131.880   8.4582   48.470   5.9822   46.042   8.8824   50.487   8.0929  128.599   12.782  135.161   11.081 -6.561462 16.91633 
1 1 1   -6   12   55 o  193.532   6.6224  104.033   6.8563   92.562   10.033  114.082   9.3910  183.127   10.139  203.937   8.5217 -20.80956 13.24482 
1 1 1   -6   12   56 o   63.191   13.206   9.6195   5.5129   21.132   8.4955   1.2450   7.2456   83.576   19.213   42.806   18.124 40.76935 26.41270 
1 1 1   -6   12   57 o  131.834   8.6105   49.007   6.0391   46.735   9.2577   50.691   7.9679  128.696   13.312  134.972   10.925 -6.275772 17.22109 
1 1 1   -6   12   58 f   59.987   14.333   9.8672   5.5871   14.660   8.6187   6.3934   7.3378   68.784   21.141   51.190   19.360 17.59410 28.66613 
1 1 1   -6   12   59 o   53.495   13.738   7.1051   5.5720   0.7297   8.4776   11.954   7.3932   44.414   19.218   62.577   19.638 -18.16393 27.47672 
1 1 1   -6   12   60 o  136.229   8.7445   53.322   6.3011   47.891   9.6252   57.395   8.3355  129.313   13.775  143.145   10.776 -13.83144 17.48907 
1 1 1   -6   12   61 o   52.668   14.085   6.6910   5.8941   0.3615   9.1329   11.209   7.7161   44.913   19.682   60.422   20.155 -15.50898 28.17089 
1 1 1   -6   12   62 o   38.990   13.056  -9.6517   6.4971   0.5164   11.821 -14.0531   7.7772   49.090   21.906   28.890   14.212 20.20004 26.11248 
1 1 1   -6   12   63 o  170.395   7.9481   81.727   7.2795   92.781   10.963   73.011   9.7352  180.595   11.234  160.195   11.246 20.39978 15.89614 
1 1 1   -6   12   64 o  134.005   11.064   52.351   7.8871   45.738   10.122   62.568   12.583  123.971   15.111  144.039   16.166 -20.06802 22.12855 
1 1 1   -6   12   65 o   46.058   13.845   4.0334   6.2196  -0.5245   9.4948   7.4591   8.2314   41.921   19.081   50.196   20.065 -8.275280 27.68937 
1 1 1   -6   12   66 o  156.994   8.4818   72.029   7.1194   76.276   10.998   68.966   9.3402  160.156   12.709  153.831   11.236 6.324463 16.96359 
1 1 1   -6   13    1 o  279.599   5.0812  211.231   7.6734  215.988   11.059  206.816   10.656  282.631   7.2413  276.568   7.1301 6.063049 10.16241 
1 1 1   -6   13    2 o  560.147   9.1480  837.851   25.501  880.405   46.703  819.774   30.439  569.883   15.166  550.411   10.234 19.47229 18.29594 
1 1 1   -6   13    3 o  971.395   16.883  2567.64   88.545  2504.50  122.216  2637.39  128.459  958.937   23.586  983.853   24.163 -24.91602 33.76583 
1 1 1   -6   13    4 o  250.175   7.4129  168.625   9.9934  179.167   14.824  159.842   13.530  257.304   10.662  243.045   10.302 14.25868 14.82590 
1 1 1   -6   13    5 f  464.526   9.2315  584.280   23.170  573.649   32.498  595.270   33.043  460.229   13.068  468.824   13.043 -8.595215 18.46306 
1 1 1   -6   13    6 o  493.623   9.5468  659.778   25.458  668.694   36.520  651.351   35.506  496.856   13.602  490.389   13.399 6.466614 19.09357 
1 1 1   -6   13    7 o  312.769   6.5711  268.107   10.551  276.324   13.134  253.153   17.717  319.676   7.6030  305.861   10.720 13.81488 13.14214 
1 1 1   -6   13    8 o  694.828   8.7537  1307.05   32.867  1302.12   46.380  1312.03   46.581  693.510   12.376  696.145   12.383 -2.634888 17.50749 
1 1 1   -6   13    9 o  149.867   7.8026   60.732   6.3188   0.0000   0.0000   60.732   6.3188  ?   ?   149.867   7.8026      ?      ? 
1 1 1   -6   13   10 f  702.686   8.8617  1336.78   33.647  1341.73   47.820  1331.92   47.353  703.971   12.571  701.401   12.494 2.569153 17.72346 
1 1 1   -6   13   11 o  904.819   11.086  2218.96   54.203  2212.72   76.534  2225.24   76.775  903.543   15.675  906.095   15.680 -2.551514 22.17192 
1 1 1   -6   13   12 o  344.791   5.4652  321.172   10.174  327.477   14.746  315.445   14.055  348.014   7.8413  341.568   7.6150 6.445709 10.93042 
1 1 1   -6   13   13 o  192.054   5.3972   99.667   5.5927  100.718   8.1551   98.733   7.6846  193.007   7.8193  191.102   7.4416 1.905380 10.79438 
1 1 1   -6   13   14 o   92.098   10.920   22.947   5.4344   0.0000   0.0000   22.947   5.4344  ?   ?    92.098   10.920      ?      ? 
1 1 1   -6   13   15 o  1150.14   13.892  3588.28   86.337  3604.51  122.813  3572.43  121.397  1152.70   19.717  1147.59   19.576 5.108154 27.78486 
1 1 1   -6   13   17 o  580.115   7.5658  909.053   23.690  934.632   34.505  886.246   32.582  587.814   10.863  572.416   10.534 15.39801 15.13154 
1 1 1   -6   13   18 o  604.702   7.8467  989.053   25.638  991.052   36.499  987.106   36.021  605.301   11.159  604.103   11.035 1.198547 15.69347 
1 1 1   -6   13   19 o  1057.29   12.821  3028.67   73.248  3032.99  103.856  3024.40  103.321  1058.03   18.165  1056.54   18.097 1.488525 25.64174 
1 1 1   -6   13   20 o  413.668   6.0711  462.495   13.565  466.236   19.513  458.997   18.870  415.283   8.6955  412.053   8.4748 3.230072 12.14220 
1 1 1   -6   13   21 o  1434.83   17.188  5587.52  133.254  5551.41  187.271  5624.54  189.650  1430.16   24.232  1439.51   24.381 -9.348389 34.37503 
1 1 1   -6   13   22 o  494.601   6.7609  661.336   18.068  651.703   25.364  671.260   25.744  490.945   9.5610  498.257   9.5617 -7.311981 13.52180 
1 1 1   -6   13   23 o  264.518   5.2847  189.044   7.5486  179.393   10.557  199.141   10.798  257.611   7.5837  271.425   7.3621 -13.81326 10.56940 
1 1 1   -6   13   24 o  1188.68   14.338  3831.31   92.098  3824.37  130.092  3838.28  130.400  1187.60   20.272  1189.75   20.283 -2.155273 28.67666 
1 1 1   -6   13   26 o  528.389   7.1145  754.484   20.306  734.250   28.249  776.118   29.209  521.066   10.033  535.713   10.090 -14.64697 14.22907 
1 1 1   -6   13   27 o  146.156   7.1278   58.149   5.5845   54.156   8.2623   61.508   7.5774  141.495   10.806  150.816   9.2978 -9.321411 14.25560 
1 1 1   -6   13   28 o  595.253   7.7967  958.601   25.078  951.100   35.332  966.217   35.601  592.906   11.028  597.599   11.025 -4.693665 15.59348 
1 1 1   -6   13   29 o  204.089   6.1948  113.334   6.7893  103.594   9.8740  122.068   9.3504  195.708   9.3368  212.469   8.1442 -16.76131 12.38963 
1 1 1   -6   13   30 o  695.405   8.8884  1309.03   33.400  1303.07   47.209  1315.00   47.260  693.818   12.592  696.992   12.548 -3.173645 17.77682 
1 1 1   -6   13   31 f  843.406   10.474  1925.72   47.707  1883.83   66.147  1971.14   68.872  833.875   14.680  852.937   14.943 -19.06195 20.94737 
1 1 1   -6   13   32 o  815.210   10.181  1800.61   44.849  1788.80   63.209  1812.58   63.645  812.518   14.396  817.901   14.400 -5.383301 20.36251 
1 1 1   -6   13   33 o  705.181   9.0087  1344.69   34.296  1304.89   47.261  1388.95   49.844  694.193   12.599  716.169   12.880 -21.97601 18.01738 
1 1 1   -6   13   34 o  290.691   8.4442  228.579   13.264   0.0000   0.0000  228.579   13.264  ?   ?   290.691   8.4442      ?      ? 
1 1 1   -6   13   35 o  560.496   7.5949  850.554   23.002  840.499   32.452  860.706   32.608  557.163   10.779  563.829   10.703 -6.666260 15.18976 
1 1 1   -6   13   36 o   94.798   12.632   25.082   6.2959   20.718   8.9323   29.390   8.8756   85.554   19.725  104.043   15.787 -18.48935 25.26453 
1 1 1   -6   13   37 o  723.567   9.2603  1420.12   36.200  1398.02   50.604  1443.28   51.807  717.815   13.046  729.319   13.146 -11.50446 18.52064 
1 1 1   -6   13   38 o  515.116   7.1657  718.791   19.944  703.735   28.030  734.229   28.383  509.647   10.178  520.584   10.090 -10.93744 14.33146 
1 1 1   -6   13   39 o  426.897   6.4835  493.361   14.949  472.853   20.908  514.814   21.384  417.814   9.2605  435.980   9.0768 -18.16638 12.96703 
1 1 1   -6   13   40 o  648.935   11.878  1148.86   41.634  1156.53   59.856  1141.67   57.948  650.950   17.017  646.919   16.577 4.030334 23.75612 
1 1 1   -6   13   41 o  162.579   10.088   71.082   8.7020   76.802   13.891   67.387   11.164  167.788   15.321  157.369   13.129 10.41911 20.17630 
1 1 1   -6   13   42 o  611.349   11.344  1021.75   37.455  1024.78   53.891  1018.92   52.094  612.112   16.293  610.586   15.789 1.525452 22.68795 
1 1 1   -6   13   43 o  532.901   9.1889  772.640   24.868  769.392   30.347  779.279   43.391  532.025   10.556  533.777   15.044 -1.751648 18.37774 
1 1 1   -6   13   44 f  252.579   7.9231  170.859   10.134  165.701   12.256  182.005   18.016  246.983   9.1834  258.174   12.914 -11.19124 15.84611 
1 1 1   -6   13   45 o  275.321   7.5131  206.613   10.136  205.653   18.803  207.006   12.034  274.437   12.680  276.205   8.0632 -1.767700 15.02616 
1 1 1   -6   13   46 o  449.708   8.3004  553.798   18.702  548.198   33.311  556.376   22.600  447.134   13.787  452.282   9.2473 -5.147522 16.60083 
1 1 1   -6   13   47 o  282.637   8.1135  217.134   12.392   0.0000   0.0000  217.134   12.392  ?   ?   282.637   8.1135      ?      ? 
1 1 1   -6   13   48 o   71.397   17.111   11.217   8.5080   23.176   12.893   1.9923   11.324   88.595   25.534   54.198   22.786 34.39639 34.22243 
1 1 1   -6   13   49 o   88.259   16.857   22.899   8.2710   27.387   12.146   19.018   11.294   95.949   23.592   80.569   24.084 15.38015 33.71347 
1 1 1   -6   13   50 o  340.578   8.8739  319.719   16.322  325.225   23.562  314.640   22.630  343.311   12.701  337.845   12.396 5.466125 17.74774 
1 1 1   -6   13   51 o  257.561   6.0455  180.958   8.3575  182.421   12.589  179.805   11.175  258.341   9.0180  256.781   8.0540 1.559570 12.09096 
1 1 1   -6   13   52 o  266.712   5.9878  194.535   8.5986  192.955   12.682  195.879   11.698  265.573   8.8369  267.850   8.0824 -2.276733 11.97565 
1 1 1   -6   13   53 o  113.271   9.7124   36.017   5.8611   34.942   8.9905   36.811   7.7293  111.450   14.929  115.092   12.428 -3.642868 19.42474 
1 1 1   -6   13   54 o  230.526   6.2580  145.380   7.7616  150.847   11.612  140.965   10.435  234.297   9.1717  226.755   8.5164 7.542358 12.51598 
1 1 1   -6   13   55 o   94.415   12.115   27.129   5.8526   18.115   8.5414   35.107   8.0354   77.024   20.253  111.807   13.300 -34.78262 24.22947 
1 1 1   -6   13   56 o  146.570   10.307   59.545   8.1637   0.0000   0.0000   59.545   8.1637  ?   ?   146.570   10.307      ?      ? 
1 1 1   -6   13   57 o  151.290   7.8419   63.310   6.3486   68.056   9.8086   59.888   8.3285  155.875   11.645  146.706   10.506 9.169556 15.68381 
1 1 1   -6   13   58 o  215.318   6.5799  129.008   7.5986  123.605   11.313  133.449   10.257  210.818   9.9309  219.818   8.6348 -9.000580 13.15989 
1 1 1   -6   13   59 o   48.445   14.133   3.7409   5.9690   3.0175   9.0748   4.2926   7.9246   48.589   20.412   48.301   19.553 0.2883034 28.26566 
1 1 1   -6   13   60 o  201.876   6.9696  114.554   7.5094  108.776   11.369  119.025   10.002  196.744   10.694  207.008   8.9412 -10.26434 13.93922 
1 1 1   -6   13   61 o   36.364   12.023  -5.6158   5.7980  -6.3094   8.9838  -5.1207   7.5904   37.606   17.616   35.123   16.367 2.483315 24.04537 
1 1 1   -6   13   62 o   58.840   15.252   10.057   6.3326   14.281   9.8374   7.0680   8.2751   65.610   22.740   52.070   20.332 13.53998 30.50425 
1 1 1   -6   13   63 o  149.596   11.047   68.329   8.1147   61.171   14.333   71.706   9.8443  140.527   18.876  158.667   11.482 -18.13992 22.09353 
1 1 1   -6   13   64 o  206.741   8.4113  125.899   9.2128  124.893   11.926  127.387   14.507  207.470   10.638  206.012   13.032 1.458084 16.82264 
1 1 1   -6   13   65 o  164.305   9.7858   80.924   8.5688   80.630   11.257   81.329   13.213  165.349   12.599  163.261   14.977 2.088089 19.57150 
1 1 1   -6   13   66 o   43.298   13.304   1.1301   6.4276  -9.2355   10.064   8.2701   8.3530   35.737   17.259   50.859   20.251 -15.12201 26.60752 
1 1 1   -6   14    1 o  248.365   8.0082  167.098   10.737  159.459   15.255  174.595   15.113  242.725   11.631  254.006   11.011 -11.28125 16.01634 
1 1 1   -6   14    2 o  213.675   8.4134  123.613   9.7081  118.040   13.686  129.257   13.773  208.820   12.128  218.531   11.664 -9.711609 16.82685 
1 1 1   -6   14    3 o  323.561   11.367  283.333   19.874   0.0000   0.0000  283.333   19.874  ?   ?   323.561   11.367      ?      ? 
1 1 1   -6   14    4 o  403.992   5.9738  441.372   13.041  441.221   18.512  441.521   18.373  403.922   8.4816  404.062   8.4146 -0.1402588 11.94750 
1 1 1   -6   14    6 o  216.567   7.7162  126.814   9.0300  126.814   9.0300   0.0000   0.0000  216.567   7.7162  ?   ?       ?      ? 
1 1 1   -6   14    8 o  1209.67   20.654  3973.29  135.007   0.0000   0.0000  3973.29  135.007  ?   ?   1209.67   20.654      ?      ? 
1 1 1   -6   14   10 o  892.686   15.504  2158.65   74.789   0.0000   0.0000  2158.65   74.789  ?   ?   892.686   15.504      ?      ? 
1 1 1   -6   14   11 o  457.878   9.0470  566.932   22.384   0.0000   0.0000  566.932   22.384  ?   ?   457.878   9.0470      ?      ? 
1 1 1   -6   14   12 o  773.168   9.6439  1618.16   40.291  1606.99   56.755  1629.50   57.207  770.480   13.632  775.856   13.645 -5.375916 19.28788 
1 1 1   -6   14   13 o  813.977   10.098  1793.74   44.413  1783.16   62.563  1804.49   63.059  811.559   14.266  816.395   14.294 -4.835999 20.19536 
1 1 1   -6   14   14 o  631.021   11.492  1077.22   39.184   0.0000   0.0000  1077.22   39.184  ?   ?   631.021   11.492      ?      ? 
1 1 1   -6   14   15 o  1191.48   14.386  3848.98   92.600  3796.93  129.270  3903.84  132.710  1183.24   20.218  1199.72   20.471 -16.48535 28.77183 
1 1 1   -6   14   16 o  571.998   10.609  884.849   32.791   0.0000   0.0000  884.849   32.791  ?   ?   571.998   10.609      ?      ? 
1 1 1   -6   14   17 o  499.756   9.6133  675.303   25.961   0.0000   0.0000  675.303   25.961  ?   ?   499.756   9.6133      ?      ? 
1 1 1   -6   14   18 o  931.734   16.129  2350.27   81.208   0.0000   0.0000  2350.27   81.208  ?   ?   931.734   16.129      ?      ? 
1 1 1   -6   14   19 o  944.539   11.581  2415.43   59.104  2425.81   84.102  2405.31   83.078  946.536   16.443  942.543   16.312 3.992188 23.16118 
1 1 1   -6   14   20 o  1626.58   19.451  7193.53  170.960  7174.43  241.221  7212.81  242.331  1624.42   27.481  1628.74   27.534 -4.319092 38.90137 
1 1 1   -6   14   21 o  991.920   12.091  2665.00   64.807  2650.24   91.270  2680.00   92.036  989.154   17.076  994.687   17.123 -5.532654 24.18221 
1 1 1   -6   14   22 o  758.960   9.5058  1556.81   38.950  1514.87   53.714  1603.31   56.562  748.208   13.286  769.711   13.599 -21.50360 19.01159 
1 1 1   -6   14   23 o  701.084   8.8929  1329.34   33.682  1307.15   46.996  1352.77   48.296  695.076   12.512  707.091   12.640 -12.01477 17.78577 
1 1 1   -6   14   24 o  903.533   11.106  2209.61   54.208  2171.70   75.493  2249.98   77.886  895.548   15.600  911.518   15.813 -15.96960 22.21282 
1 1 1   -6   14   25 o  465.867   9.2813  586.884   23.365   0.0000   0.0000  586.884   23.365  ?   ?   465.867   9.2813      ?      ? 
1 1 1   -6   14   26 o  553.195   7.4259  827.838   22.198  821.587   31.383  834.095   31.402  551.103   10.538  555.287   10.465 -4.183899 14.85185 
1 1 1   -6   14   27 o  551.437   7.4414  821.570   22.157  794.491   30.614  851.356   32.108  541.912   10.455  560.961   10.592 -19.04852 14.88282 
1 1 1   -6   14   28 o  363.716   6.0580  357.663   11.898  359.646   17.176  355.833   16.497  364.680   8.7161  362.752   8.4161 1.927338 12.11610 
1 1 1   -6   14   29 o  1041.19   12.720  2937.09   71.504  2862.08   98.715  3019.90  103.715  1027.26   17.783  1055.11   18.191 -27.85022 25.43915 
1 1 1   -6   14   30 o  557.119   7.5560  836.669   22.696  793.158   30.857  887.954   33.500  541.410   10.547  572.828   10.823 -31.41827 15.11204 
1 1 1   -6   14   31 o  119.000   10.156   37.827   6.4825   44.518   9.8283   32.675   8.6244  128.187   14.189  109.813   14.534 18.37359 20.31168 
1 1 1   -6   14   32 o  286.045   6.1572  221.272   9.5162  225.136   13.565  217.526   13.354  288.504   8.7010  283.586   8.7141 4.918457 12.31436 
1 1 1   -6   14   33 o  397.599   6.3669  427.857   13.675  416.745   19.386  438.863   19.293  392.450   9.1413  402.748   8.8650 -10.29742 12.73388 
1 1 1   -6   14   34 o  117.015   10.494   36.960   6.5372   46.439   9.6360   28.878   8.8980  130.883   13.625  103.146   15.964 27.73634 20.98798 
1 1 1   -6   14   35 o  520.521   7.2463  733.719   20.380  727.636   28.902  739.737   28.743  518.367   10.318  522.675   10.177 -4.308594 14.49251 
1 1 1   -6   14   36 o  551.935   7.5357  825.487   22.473  813.877   31.747  837.150   31.818  548.035   10.720  555.835   10.593 -7.799744 15.07130 
1 1 1   -6   14   37 o  404.227   6.4055  442.419   13.988  429.132   19.667  456.021   19.899  398.077   9.1431  410.377   8.9735 -12.29944 12.81096 
1 1 1   -6   14   38 o  319.921   7.4520  284.140   12.186  255.856   20.359  299.931   15.212  307.023   12.271  332.818   8.4583 -25.79507 14.90398 
1 1 1   -6   14   39 o  299.775   8.3018  244.402   13.336  240.991   20.128  247.072   17.805  297.806   12.508  301.744   10.920 -3.938049 16.60351 
1 1 1   -6   14   40 o  273.303   8.2905  199.768   12.033  219.865   19.205  186.779   15.440  284.333   12.500  262.273   10.894 22.05936 16.58100 
1 1 1   -6   14   41 o  117.321   11.157   37.494   6.9765   29.650   9.5347   46.532   10.235  104.054   16.957  130.588   14.504 -26.53333 22.31421 
1 1 1   -6   14   42 o  247.080   6.3209  166.131   8.3956  160.733   12.407  170.691   11.403  243.305   9.4368  250.856   8.4121 -7.550964 12.64184 
1 1 1   -6   14   43 o  215.372   8.4635  129.032   9.2759  134.641   11.490  118.536   15.718  222.584   9.5532  208.160   13.973 14.42438 16.92693 
1 1 1   -6   14   44 o   71.034   15.706   9.9109   6.5612   24.662   12.433   4.2166   7.7245   92.085   24.541   49.983   19.609 42.10150 31.41291 
1 1 1   -6   14   45 o  236.437   7.8200  155.531   9.0842  145.023   16.483  160.115   10.887  230.094   13.257  242.780   8.2986 -12.68610 15.63999 
1 1 1   -6   14   46 o  306.499   6.0431  255.876   9.9941  245.339   14.316  265.893   13.958  300.268   8.8231  312.730   8.2600 -12.46182 12.08615 
1 1 1   -6   14   47 o  229.826   9.2876  144.295   11.478  125.766   15.644  165.901   16.893  213.817   13.540  245.834   12.717 -32.01741 18.57515 
1 1 1   -6   14   48 o  278.981   8.7790  213.720   13.226  217.995   19.120  209.797   18.314  281.598   12.565  276.365   12.264 5.233032 17.55800 
1 1 1   -6   14   49 o  157.350   11.731   69.313   9.9742   69.527   14.103   69.099   14.109  157.603   16.560  157.097   16.620 0.5057220 23.46157 
1 1 1   -6   14   50 o  284.644   6.0423  221.695   9.2645  213.467   13.493  229.033   12.743  279.500   8.9336  289.789   8.1379 -10.28891 12.08450 
1 1 1   -6   14   51 o  107.167   10.124   31.595   5.7646   40.669   8.6708   24.408   7.7172  121.009   13.260   93.326   15.303 27.68314 20.24867 
1 1 1   -6   14   52 o   85.128   16.397   21.144   7.2691   0.0000   0.0000   21.144   7.2691  ?   ?    85.128   16.397      ?      ? 
1 1 1   -6   14   53 o  101.372   11.273   30.008   5.9024   25.934   8.8127   33.322   7.9486   93.646   18.070  109.099   13.483 -15.45289 22.54587 
1 1 1   -6   14   54 o   46.701   13.655   2.7488   5.5516   3.2963   8.5614   2.3514   7.2927   48.788   20.104   44.613   18.485 4.175152 27.31029 
1 1 1   -6   14   55 f  150.904   8.0078   63.727   6.4390   61.312   9.8489   65.529   8.5096  147.985   12.316  153.824   10.238 -5.838470 16.01563 
1 1 1   -6   14   56 o  176.963   7.1464   86.302   6.7776   91.560   10.382   82.397   8.9476  181.397   10.591  172.529   9.5974 8.867783 14.29276 
1 1 1   -6   14   57 o  219.094   6.6811  134.225   7.8377  119.884   11.431  146.948   10.767  207.494   10.195  230.694   8.6371 -23.19974 13.36213 
1 1 1   -6   14   58 o  205.575   7.0238  117.307   7.7312  119.314   11.791  115.794   10.240  206.734   10.555  204.415   9.2701 2.319382 14.04764 
1 1 1   -6   14   59 o  234.470   6.5726  152.995   8.2385  152.776   12.585  153.159   10.898  233.818   9.9609  235.121   8.5776 -1.302795 13.14515 
1 1 1   -6   14   60 o   86.409   13.644   22.883   6.2046   30.742   9.6501   17.344   8.1011   99.315   18.667   73.503   19.906 25.81233 27.28898 
1 1 1   -6   14   61 o   88.914   13.871   25.577   6.4651   27.085   9.6135   24.331   8.7354   91.002   20.087   86.825   19.135 4.177460 27.74234 
1 1 1   -6   14   62 o  166.788   8.4992   80.749   7.5132   65.590   10.855   94.690   10.410  150.446   13.352  183.130   10.519 -32.68365 16.99838 
1 1 1   -6   14   63 o   73.966   17.153   18.367   7.3381   28.536   13.753   14.320   8.6762   83.988   26.835   63.944   21.373 20.04414 34.30624 
1 1 1   -6   14   64 o   49.532   15.409   3.9992   7.2432   2.8919   14.591   4.3613   8.3439   52.564   23.820   46.500   19.555 6.064465 30.81894 
1 1 1   -6   14   65 o  111.982   13.608   41.441   7.8575   30.203   10.238   57.545   12.256   91.100   21.197  132.864   17.071 -41.76405 27.21624 
1 1 1   -6   15    1 o  481.354   6.6784  626.370   17.365  635.297   24.945  617.977   24.188  484.676   9.5247  478.031   9.3639 6.644958 13.35672 
1 1 1   -6   15    2 o  981.136   11.995  2608.73   63.591  2613.10   90.107  2604.40   89.757  981.950   16.982  980.321   16.944 1.628540 23.98909 
1 1 1   -6   15    6 o  517.228   9.9387  723.542   27.778  723.542   27.778   0.0000   0.0000  517.228   9.9387  ?   ?       ?      ? 
1 1 1   -6   15    7 o  506.739   6.9094  694.471   18.920  692.364   26.776  696.573   26.737  505.970   9.7934  507.508   9.7495 -1.538055 13.81889 
1 1 1   -6   15    8 o  1215.05   14.668  4005.58   96.299  3968.65  135.020  4043.82  137.385  1209.37   20.661  1220.73   20.827 -11.35828 29.33685 
1 1 1   -6   15    9 o  1009.02   12.304  2758.99   67.084  2762.39   95.163  2755.63   94.582  1009.63   17.443  1008.41   17.357 1.220703 24.60754 
1 1 1   -6   15   11 o  615.356   8.0023  1023.94   26.604  1006.20   37.190  1042.54   38.074  609.900   11.284  620.812   11.349 -10.91193 16.00461 
1 1 1   -6   15   12 o  435.949   6.3296  513.706   14.909  503.128   20.895  524.676   21.278  431.378   8.9637  440.520   8.9390 -9.141602 12.65914 
1 1 1   -6   15   13 o  647.195   8.3335  1132.98   29.144  1125.11   41.119  1140.92   41.313  644.936   11.799  649.454   11.772 -4.517761 16.66705 
1 1 1   -6   15   15 o  554.210   7.3827  830.495   22.106  834.473   31.564  826.664   30.970  555.509   10.515  552.911   10.366 2.598450 14.76535 
1 1 1   -6   15   16 o  663.498   8.5019  1190.79   30.481  1189.72   43.239  1191.85   42.976  663.200   12.065  663.797   11.981 -0.5978394 17.00380 
1 1 1   -6   15   17 o  435.543   6.3134  512.896   14.857  510.995   21.150  514.749   20.875  434.744   9.0030  436.343   8.8533 -1.598877 12.62671 
1 1 1   -6   15   18 o  886.770   10.942  2128.39   52.423  2097.85   73.286  2160.38   75.019  880.268   15.407  893.273   15.542 -13.00598 21.88421 
1 1 1   -6   15   19 f  775.130   9.7229  1624.53   40.700  1585.32   56.370  1667.22   58.825  765.381   13.630  784.879   13.870 -19.49829 19.44572 
1 1 1   -6   15   20 o  391.213   6.0336  413.746   12.747  414.569   18.350  412.978   17.722  391.584   8.6721  390.841   8.3911 0.7434692 12.06712 
1 1 1   -6   15   21 o  520.909   7.1274  733.349   20.056  715.288   27.944  752.537   28.803  514.299   10.055  527.518   10.104 -13.21906 14.25486 
1 1 1   -6   15   22 o  517.016   10.035  722.887   28.035   0.0000   0.0000  722.887   28.035  ?   ?   517.016   10.035      ?      ? 
1 1 1   -6   15   23 o  370.222   8.6589  370.602   17.323  370.602   17.323   0.0000   0.0000  370.222   8.6589  ?   ?       ?      ? 
1 1 1   -6   15   24 o  598.796   11.161  970.096   36.113   0.0000   0.0000  970.096   36.113  ?   ?   598.796   11.161      ?      ? 
1 1 1   -6   15   25 o  424.815   8.9797  488.066   20.613   0.0000   0.0000  488.066   20.613  ?   ?   424.815   8.9797      ?      ? 
1 1 1   -6   15   26 o  326.019   8.3343  287.413   14.683   0.0000   0.0000  287.413   14.683  ?   ?   326.019   8.3343      ?      ? 
1 1 1   -6   15   27 o  953.306   11.745  2462.77   60.491  2426.93   84.526  2500.40   86.608  946.214   16.532  960.399   16.688 -14.18555 23.49032 
1 1 1   -6   15   28 f  378.284   8.7519  387.018   17.890   0.0000   0.0000  387.018   17.890  ?   ?   378.284   8.7519      ?      ? 
1 1 1   -6   15   29 o  517.573   7.2937  724.041   20.388  696.466   28.307  753.765   29.389  507.344   10.325  527.803   10.304 -20.45923 14.58734 
1 1 1   -6   15   30 o  817.011   14.471  1808.80   63.886   0.0000   0.0000  1808.80   63.886  ?   ?   817.011   14.471      ?      ? 
1 1 1   -6   15   31 o  391.529   8.9324  414.729   18.898   0.0000   0.0000  414.729   18.898  ?   ?   391.529   8.9324      ?      ? 
1 1 1   -6   15   32 o  642.267   8.4327  1114.23   29.215  1065.61   39.900  1170.43   42.896  627.227   11.772  657.308   12.077 -30.08087 16.86536 
1 1 1   -6   15   33 o  620.664   11.536  1043.46   38.691   0.0000   0.0000  1043.46   38.691  ?   ?   620.664   11.536      ?      ? 
1 1 1   -6   15   34 o  689.965   8.9135  1290.20   33.220  1260.09   46.201  1322.44   47.799  681.648   12.543  698.282   12.668 -16.63403 17.82690 
1 1 1   -6   15   35 o  400.917   8.8490  435.179   19.171   0.0000   0.0000  435.179   19.171  ?   ?   400.917   8.8490      ?      ? 
1 1 1   -6   15   36 o  575.799   7.8056  898.900   24.283  897.892   34.616  899.877   34.073  575.464   11.132  576.134   10.945 -0.6697388 15.61113 
1 1 1   -6   15   37 o  273.587   8.4085  204.154   12.339  193.716   18.323  212.815   16.691  267.069   12.696  280.104   11.028 -13.03470 16.81693 
1 1 1   -6   15   38 o  280.045   8.4067  213.703   12.608  207.815   19.002  218.333   16.852  276.480   12.719  283.611   10.996 -7.131775 16.81338 
1 1 1   -6   15   39 o  555.618   9.1558  838.992   26.294  836.173   32.703  844.144   44.220  554.883   10.907  556.353   14.709 -1.470337 18.31160 
1 1 1   -6   15   40 o   87.974   12.904   20.965   6.0388   29.701   9.3149   14.631   7.9313  104.154   16.551   71.794   19.802 32.35964 25.80765 
1 1 1   -6   15   41 o   55.530   14.516   5.9105   5.9475   10.664   8.7954   1.9054   8.0731   63.880   21.518   47.180   19.490 16.69999 29.03251 
1 1 1   -6   15   42 o  228.062   8.8156  148.187   9.9375  159.264   12.125  125.518   17.345  242.124   9.2672  214.000   14.999 28.12346 17.63124 
1 1 1   -6   15   43 o  290.179   7.6127  229.217   10.968  229.505   19.920  229.092   13.140  289.860   12.718  290.498   8.3705 -0.6379700 15.22547 
1 1 1   -6   15   44 o  114.980   13.084   36.702   7.1042   38.581   13.472   35.978   8.3611  115.404   22.412  114.555   13.507 0.8492050 26.16736 
1 1 1   -6   15   45 o  383.985   8.0362  397.000   15.557  386.437   18.758  420.270   27.841  376.708   9.2150  391.262   13.168 -14.55356 16.07241 
1 1 1   -6   15   46 o  170.081   11.288   79.561   10.291   94.910   15.209   66.599   13.977  185.302   15.189  154.860   16.702 30.44250 22.57594 
1 1 1   -6   15   47 o  212.516   9.7927  124.439   11.234  129.077   16.351  120.293   15.460  216.212   13.996  208.819   13.701 7.392899 19.58543 
1 1 1   -6   15   48 o  140.347   10.782   54.632   7.3912   55.360   13.800   54.339   8.7524  140.104   18.228  140.590   11.521 -0.4859772 21.56365 
1 1 1   -6   15   49 o  107.816   11.273   33.960   6.1444   28.183   9.5458   38.047   8.0287   98.300   18.653  117.331   12.663 -19.03092 22.54557 
1 1 1   -6   15   50 o  103.603   10.572   30.355   5.7937   28.211   8.9689   31.891   7.5899  100.016   16.595  107.190   13.104 -7.173355 21.14481 
1 1 1   -6   15   51 o  205.063   6.6308  114.951   7.3131  120.387   10.980  110.616   9.8041  209.285   9.7090  200.842   9.0337 8.443222 13.26170 
1 1 1   -6   15   52 o  181.092   7.0306   89.693   6.8361   95.911   10.388   84.943   9.0791  186.458   10.310  175.726   9.5613 10.73169 14.06113 
1 1 1   -6   15   53 o  237.032   6.2814  154.812   7.9798  151.541   12.004  157.402   10.682  234.504   9.4731  239.561   8.2514 -5.057022 12.56290 
1 1 1   -6   15   54 o   56.686   14.076   8.2594   5.7856   1.8071   8.7125   13.349   7.7381   46.886   19.864   66.486   19.949 -19.59927 28.15203 
1 1 1   -6   15   55 o  283.374   6.1888  221.328   9.4152  221.568   14.138  221.136   12.621  283.191   9.2392  283.557   8.2367 -0.3664246 12.37763 
1 1 1   -6   15   56 o   51.515   13.577   4.9581   5.9092  -5.4761   9.1939   12.303   7.7135   39.544   18.284   63.486   20.077 -23.94180 27.15465 
1 1 1   -6   15   57 o  105.988   11.094   32.227   6.3196   36.315   9.5430   29.034   8.4339  111.866   15.787  100.110   15.591 11.75606 22.18771 
1 1 1   -6   15   58 o  111.157   11.510   34.961   6.4809   52.003   10.343   23.946   8.3157  134.165   14.267   88.149   18.065 46.01624 23.01924 
1 1 1   -6   15   59 o  271.164   6.4302  204.916   9.3605  201.882   13.993  207.372   12.593  268.864   9.6316  273.464   8.5218 -4.599915 12.86033 
1 1 1   -6   15   60 o  147.089   8.7197   61.435   6.8702   70.810   10.597   54.638   9.0234  156.454   12.535  137.724   12.125 18.72935 17.43932 
1 1 1   -6   15   61 o  278.090   6.5837  216.866   9.8664  206.982   14.260  225.943   13.666  271.571   9.7171  284.608   8.8858 -13.03683 13.16738 
1 1 1   -6   15   62 o  229.822   7.0728  147.044   8.6967  171.234   13.497  129.872   11.372  245.493   10.175  214.150   9.8274 31.34322 14.14560 
1 1 1   -6   15   63 o   75.755   15.454   20.788   6.6339   22.812   10.071   19.236   8.8173   78.378   22.560   73.131   21.127 5.246567 30.90763 
1 1 1   -6   15   64 f  131.605   12.097   48.904   7.8150   75.293   15.511   39.926   9.0473  149.590   19.189  113.620   14.736 35.97054 24.19400 
1 1 1   -6   16    1 o  749.328   13.399  1519.54   54.256   0.0000   0.0000  1519.54   54.256  ?   ?   749.328   13.399      ?      ? 
1 1 1   -6   16    2 o  808.088   10.095  1767.57   44.082  1770.03   62.533  1765.14   62.151  808.644   14.311  807.533   14.243 1.111084 20.19064 
1 1 1   -6   16    5 f  491.162   6.8329  652.241   18.134  643.021   25.486  661.694   25.807  487.647   9.6718  494.678   9.6546 -7.030334 13.66584 
1 1 1   -6   16    6 o  626.870   8.1450  1062.90   27.590  1054.39   38.896  1071.53   39.142  624.343   11.529  629.397   11.509 -5.054810 16.29008 
1 1 1   -6   16    9 o  278.835   5.6642  210.113   8.5221  211.236   12.405  209.109   11.727  279.536   8.2125  278.133   7.8031 1.403107 11.32844 
1 1 1   -6   16   10 o  992.188   12.124  2665.84   65.001  2671.64   92.242  2660.12   91.613  993.254   17.186  991.122   17.106 2.132202 24.24807 
1 1 1   -6   16   11 o  866.213   10.720  2030.17   50.160  2056.44   72.041  2005.45   69.883  871.636   15.295  860.789   15.024 10.84680 21.43974 
1 1 1   -6   16   14 o  208.160   8.2246  117.139   9.2513   0.0000   0.0000  117.139   9.2513  ?   ?   208.160   8.2246      ?      ? 
1 1 1   -6   16   15 o  191.553   6.0490   99.476   6.2372   95.516   9.1214  102.953   8.5478  187.956   8.9808  195.150   8.1059 -7.193054 12.09797 
1 1 1   -6   16   16 o  301.938   5.6302  246.387   9.1812  248.387   13.222  244.526   12.758  303.118   8.0726  300.757   7.8504 2.360687 11.26033 
1 1 1   -6   16   18 o  836.644   10.402  1893.88   47.013  1859.65   65.444  1930.38   67.579  828.848   14.612  844.441   14.810 -15.59253 20.80490 
1 1 1   -6   16   19 o  477.923   6.7949  616.988   17.539  596.381   24.329  639.284   25.307  469.625   9.5870  486.222   9.6319 -16.59708 13.58986 
1 1 1   -6   16   20 o  504.881   9.8909  689.361   26.984   0.0000   0.0000  689.361   26.984  ?   ?   504.881   9.8909      ?      ? 
1 1 1   -6   16   21 o  337.666   5.9696  308.047   10.886  293.722   15.181  323.208   15.618  329.590   8.5241  345.743   8.3596 -16.15256 11.93915 
1 1 1   -6   16   22 o  487.108   6.9333  641.784   18.249  634.116   25.768  649.500   25.848  484.187   9.8488  490.030   9.7614 -5.842865 13.86663 
1 1 1   -6   16   23 o  915.987   11.333  2271.88   56.058  2217.03   77.610  2331.72   81.058  904.464   15.880  927.510   16.173 -23.04572 22.66545 
1 1 1   -6   16   24 o  671.142   8.7151  1218.95   31.603  1201.38   44.310  1237.15   45.088  666.222   12.308  676.063   12.342 -9.840881 17.43027 
1 1 1   -6   16   26 o  360.280   6.4259  351.171   12.507  343.505   17.739  358.749   17.636  356.364   9.2119  364.196   8.9616 -7.832367 12.85183 
1 1 1   -6   16   27 o  215.870   6.9759  126.096   8.1327  120.746   11.464  131.516   11.539  211.255   10.042  220.485   9.6852 -9.230743 13.95181 
1 1 1   -6   16   28 o  140.749   9.1407   53.729   6.9319   52.476   10.129   54.833   9.5071  139.189   13.467  142.308   12.363 -3.119629 18.28134 
1 1 1   -6   16   29 o  264.232   9.4286  188.909   13.462  188.909   13.462   0.0000   0.0000  264.232   9.4286  ?   ?       ?      ? 
1 1 1   -6   16   30 o  665.203   8.6892  1198.47   31.229  1177.46   43.710  1220.38   44.633  659.253   12.270  671.154   12.307 -11.90009 17.37830 
1 1 1   -6   16   31 f  449.259   6.8255  546.221   16.566  530.552   23.317  562.193   23.541  442.746   9.7462  455.772   9.5583 -13.02640 13.65097 
1 1 1   -6   16   32 o  148.884   8.9082   60.420   7.1279   54.649   10.258   65.808   9.9119  141.941   13.374  155.828   11.771 -13.88739 17.81631 
1 1 1   -6   16   33 o  443.319   6.7438  532.182   16.152  517.310   22.713  547.396   22.973  437.045   9.6175  449.593   9.4561 -12.54736 13.48757 
1 1 1   -6   16   34 o  796.956   10.079  1722.52   43.356  1664.40   59.580  1787.94   63.210  782.744   14.086  811.168   14.421 -28.42401 20.15877 
1 1 1   -6   16   35 o  359.330   8.7469  347.926   16.814  367.793   25.954  333.559   22.072  368.012   13.051  350.648   11.649 17.36346 17.49380 
1 1 1   -6   16   36 o  569.947   10.848  884.913   33.401  860.811   47.022  909.459   47.454  562.071   15.482  577.823   15.198 -15.75275 21.69502 
1 1 1   -6   16   37 o  259.210   8.6998  181.777   11.802  186.194   19.364  179.167   14.886  261.512   13.703  256.909   10.723 4.602142 17.39966 
1 1 1   -6   16   38 o  157.003   8.0439   67.021   6.7704   66.757   10.227   67.226   9.0334  156.670   12.080  157.337   10.625 -0.6667175 16.08775 
1 1 1   -6   16   39 f  352.920   6.2663  337.912   11.922  337.514   17.467  338.259   16.312  352.676   9.1656  353.164   8.5474 -0.4888000 12.53265 
1 1 1   -6   16   40 o  219.538   6.6228  129.848   7.8162  141.477   11.810  120.783   10.427  228.187   9.5775  210.890   9.1496 17.29668 13.24557 
1 1 1   -6   16   41 o   51.419   15.592   0.2249   7.6112   3.8529   9.0805  -8.3446   13.956   52.400   21.029   50.439   23.026 1.961037 31.18373 
1 1 1   -6   16   42 o  608.360   8.1801  1009.56   26.889  1001.91   38.166  1017.09   37.889  606.030   11.655  610.689   11.482 -4.659119 16.36015 
1 1 1   -6   16   43 o  136.724   10.880   44.557   7.4309   72.748   14.222   33.971   8.7151  162.300   16.216  111.148   14.511 51.15165 21.76071 
1 1 1   -6   16   44 o  371.036   9.2409  377.497   18.516  395.721   26.688  360.586   25.710  379.687   13.008  362.386   13.129 17.30081 18.48184 
1 1 1   -6   16   45 o  180.744   10.963   90.257   10.696   87.095   14.708   93.806   15.582  177.435   15.340  184.053   15.667 -6.617462 21.92668 
1 1 1   -6   16   46 o  347.472   9.0785  332.214   17.039  326.126   23.690  338.739   24.525  344.227   12.736  350.716   12.941 -6.488678 18.15702 
1 1 1   -6   16   47 o  148.896   9.7109   58.986   7.2232   67.860   13.369   55.327   8.5841  155.876   15.871  141.916   11.194 13.96057 19.42175 
1 1 1   -6   16   48 o  239.445   6.2466  157.560   8.0335  144.133   11.667  169.664   11.078  229.510   9.4075  249.380   8.2207 -19.87004 12.49322 
1 1 1   -6   16   49 o   48.116   13.762   3.4090   5.5818   1.1363   8.5514   5.0962   7.3679   46.315   19.654   49.916   19.270 -3.600838 27.52471 
1 1 1   -6   16   50 o   93.682   12.538   25.956   6.0910   22.699   9.3182   28.386   8.0485   86.879   20.227  100.485   14.823 -13.60623 25.07647 
1 1 1   -6   16   51 o   96.500   12.367   29.051   5.9967   18.312   9.1395   37.169   7.9463   77.566   21.200  115.435   12.739 -37.86847 24.73324 
1 1 1   -6   16   52 o  193.174   6.9724  102.496   7.2277  107.188   10.979   98.908   9.6019  196.861   10.321  189.488   9.3775 7.373566 13.94472 
1 1 1   -6   16   53 o   50.423   13.724   2.5685   5.7238   12.017   8.9613  -3.9426   7.4389   64.121   21.720   36.725   16.784 27.39605 27.44857 
1 1 1   -6   16   54 o  166.553   7.5990   77.748   6.7472   73.669   10.253   80.864   8.9612  162.220   11.696  170.887   9.7044 -8.667877 15.19793 
1 1 1   -6   16   55 o  151.678   8.6223   65.599   6.9003   60.829   10.744   68.948   9.0024  146.159   13.604  157.196   10.598 -11.03665 17.24463 
1 1 1   -6   16   56 o  102.187   11.763   30.952   6.2861   30.009   9.4390   31.704   8.4267   99.435   18.239  104.938   14.861 -5.502884 23.52670 
1 1 1   -6   16   57 o  125.685   10.034   45.548   6.7170   45.783   10.398   45.379   8.7991  125.275   15.361  126.095   12.914 -0.8192444 20.06786 
1 1 1   -6   16   58 o  230.170   6.7922  147.472   8.3545  150.616   12.851  145.171   10.995  231.768   10.261  228.572   8.9018 3.195511 13.58440 
1 1 1   -6   16   59 o  243.750   6.6611  167.102   8.7237  164.911   12.989  168.903   11.775  241.762   9.9423  245.739   8.8674 -3.976624 13.32213 
1 1 1   -6   16   60 o   95.152   14.313   30.420   7.1968   21.761   11.074   36.751   9.4692   79.246   23.884  111.058   15.779 -31.81195 28.62513 
1 1 1   -6   16   61 o  117.389   11.360   41.002   7.1351   47.227   11.079   36.591   9.3266  124.552   16.462  110.225   15.659 14.32723 22.71977 
1 1 1   -6   16   62 o  113.066   12.231   41.951   7.1451   36.638   10.545   46.462   9.7153  103.399   19.590  122.733   14.649 -19.33328 24.46133 
1 1 1   -6   16   63 o  204.213   7.5168  119.643   8.2496  131.003   12.489  110.850   10.988  212.413   10.881  196.014   10.374 16.39957 15.03368 
1 1 1   -6   17    2 o  750.373   9.4659  1523.42   38.382  1521.84   54.355  1524.98   54.206  749.985   13.412  750.762   13.362 -0.7770386 18.93188 
1 1 1   -6   17    4 o  413.885   6.2755  462.509   14.017  474.368   20.445  451.990   19.254  418.880   9.0326  408.889   8.7143 9.990509 12.55097 
1 1 1   -6   17    5 o  609.263   8.0047  1003.91   26.351  1006.42   37.551  1001.47   36.987  610.011   11.392  608.516   11.248 1.495911 16.00947 
1 1 1   -6   17    6 o  383.979   6.1063  398.477   12.666  384.694   17.759  412.746   18.070  377.221   8.7124  390.737   8.5582 -13.51569 12.21265 
1 1 1   -6   17    7 o  808.090   14.330  1767.30   62.573   0.0000   0.0000  1767.30   62.573  ?   ?   808.090   14.330      ?      ? 
1 1 1   -6   17    9 o  662.470   8.5537  1186.87   30.615  1168.52   42.803  1206.08   43.806  657.234   12.052  667.706   12.141 -10.47278 17.10745 
1 1 1   -6   17   10 o  588.375   7.8465  935.744   24.939  910.589   34.759  962.432   35.802  580.231   11.086  596.519   11.107 -16.28772 15.69293 
1 1 1   -6   17   11 o  198.620   6.2973  106.839   6.7447  103.303   9.7585  110.073   9.3327  195.463   9.2391  201.777   8.5594 -6.314178 12.59463 
1 1 1   -6   17   12 o  695.552   12.573  1308.94   47.257   0.0000   0.0000  1308.94   47.257  ?   ?   695.552   12.573      ?      ? 
1 1 1   -6   17   13 o  150.473   10.050   61.230   8.1714   0.0000   0.0000   61.230   8.1714  ?   ?   150.473   10.050      ?      ? 
1 1 1   -6   17   14 o  270.316   5.7638  197.523   8.4037  197.854   12.267  197.229   11.536  270.526   8.3913  270.108   7.9038 0.4181213 11.52756 
1 1 1   -6   17   15 o  622.409   8.1781  1046.11   27.475  1010.49   37.791  1086.05   40.016  611.198   11.443  633.621   11.687 -22.42377 16.35625 
1 1 1   -6   17   16 o  634.305   8.3345  1088.48   28.566  1082.54   40.436  1094.40   40.362  632.573   11.830  636.037   11.744 -3.463684 16.66891 
1 1 1   -6   17   17 o  741.263   9.4119  1482.62   37.617  1422.48   51.179  1553.28   55.476  724.987   13.064  757.539   13.552 -32.55133 18.82373 
1 1 1   -6   17   18 o  435.540   6.6047  513.009   15.543  511.696   22.109  514.292   21.855  434.986   9.4059  436.094   9.2745 -1.107849 13.20940 
1 1 1   -6   17   21 o  560.741   7.7004  845.629   23.242  795.266   31.234  908.122   34.793  542.161   10.661  579.320   11.114 -37.15875 15.40090 
1 1 1   -6   17   22 f  320.350   9.1479  277.549   15.836  277.549   15.836   0.0000   0.0000  320.350   9.1479  ?   ?       ?      ? 
1 1 1   -6   17   23 o  468.375   9.7393  593.416   24.650   0.0000   0.0000  593.416   24.650  ?   ?   468.375   9.7393      ?      ? 
1 1 1   -6   17   24 o  680.569   8.8438  1253.74   32.520  1232.45   45.551  1275.88   46.441  674.679   12.494  686.460   12.520 -11.78180 17.68769 
1 1 1   -6   17   25 o  415.899   6.6763  467.819   15.001  454.286   21.067  481.737   21.365  409.795   9.5139  422.002   9.3691 -12.20776 13.35269 
1 1 1   -6   17   26 o  198.719   7.5351  106.635   8.0560  109.228   12.028  104.526   10.849  200.891   11.080  196.546   10.215 4.345764 15.07016 
1 1 1   -6   17   27 o  600.190   8.0880  974.831   26.224  947.864   36.603  1003.27   37.588  591.665   11.449  608.715   11.428 -17.04944 16.17592 
1 1 1   -6   17   28 o  490.812   7.1600  651.820   18.986  636.287   26.559  668.054   27.151  484.834   10.138  496.791   10.114 -11.95767 14.32009 
1 1 1   -6   17   29 o  159.826   8.9438   68.703   7.5746   89.302   11.261   51.682   10.236  181.584   11.477  138.068   13.720 43.51599 17.88750 
1 1 1   -6   17   30 o  311.450   6.5010  262.790   10.931  252.321   15.559  272.994   15.361  305.304   9.4308  317.595   8.9506 -12.29099 13.00205 
1 1 1   -6   17   31 o  102.724   13.141   29.244   7.1145   29.167   10.506   29.308   9.6691  101.688   19.832  103.759   17.245 -2.071243 26.28111 
1 1 1   -6   17   32 o  606.151   11.411  996.199   37.376   0.0000   0.0000  996.199   37.376  ?   ?   606.151   11.411      ?      ? 
1 1 1   -6   17   33 o  129.544   14.223   44.869   9.6114   49.685   16.153   42.230   11.959  134.641   22.202  124.447   17.783 10.19441 28.44624 
1 1 1   -6   17   34 o  554.600   10.792  836.411   32.318  793.694   44.878  882.432   46.580  539.875   15.383  569.326   15.141 -29.45044 21.58456 
1 1 1   -6   17   35 o  577.191   11.097  908.479   34.601  877.477   48.527  940.541   49.350  567.128   15.835  587.254   15.551 -20.12640 22.19435 
1 1 1   -6   17   36 o  403.107   6.5256  440.838   14.205  434.773   20.372  446.578   19.818  400.377   9.4161  405.837   9.0371 -5.460388 13.05111 
1 1 1   -6   17   37 o  388.741   6.4484  409.987   13.524  409.072   19.673  410.807   18.623  388.285   9.3762  389.196   8.8551 -0.9117737 12.89677 
1 1 1   -6   17   38 o  287.768   6.2378  224.831   9.6831  222.811   14.080  226.643   13.338  286.502   9.0944  289.034   8.5402 -2.532288 12.47568 
1 1 1   -6   17   39 o  253.239   6.3316  173.851   8.6324  177.619   12.828  170.732   11.670  255.694   9.2841  250.784   8.6118 4.910202 12.66327 
1 1 1   -6   17   40 o  132.173   12.020   45.370   8.2619   38.725   10.138   58.514   14.257  118.748   15.799  145.599   18.121 -26.85036 24.04088 
1 1 1   -6   17   41 o  156.377   8.4288   66.555   7.0907   69.103   10.616   64.503   9.5273  159.008   12.356  153.745   11.468 5.262070 16.85761 
1 1 1   -6   17   42 f   70.570   17.940   11.196   8.9492   5.2748   11.991   18.642   13.446   59.761   24.101   81.379   26.580 -21.61805 35.87974 
1 1 1   -6   17   43 o  277.961   9.0174  211.818   13.523  208.514   18.553  215.563   19.753  275.751   12.451  280.172   13.047 -4.420532 18.03480 
1 1 1   -6   17   44 o   62.490   17.598   6.3209   8.9838   3.0946   12.317   9.9887   13.133   57.394   23.921   67.585   25.818 -10.19164 35.19637 
1 1 1   -6   17   45 o  147.160   12.472   60.774   9.9031   62.095   13.743   59.347   14.283  148.994   17.070  145.326   18.188 3.668289 24.94336 
1 1 1   -6   17   46 o  168.456   7.5694   78.358   6.7770   74.945   10.448   80.837   8.9044  165.012   11.717  171.899   9.5862 -6.886185 15.13877 
1 1 1   -6   17   47 o  279.709   6.1774  213.357   9.2779  217.182   13.980  210.345   12.403  281.785   9.1811  277.634   8.2674 4.150635 12.35488 
1 1 1   -6   17   48 o   47.656   13.922   2.5544   5.8655  -0.0805   9.0560   4.4586   7.6986   45.905   19.863   49.406   19.514 -3.501308 27.84471 
1 1 1   -6   17   49 o  124.083   9.4290   43.019   6.2811   42.530   9.3968   43.415   8.4449  123.205   14.114  124.960   12.506 -1.755013 18.85808 
1 1 1   -6   17   50 o  225.180   6.4757  139.066   7.8268  141.713   11.817  136.997   10.447  226.881   9.6384  223.479   8.6510 3.402023 12.95143 
1 1 1   -6   17   51 o   87.974   13.019   23.290   5.9235   22.356   9.1492   23.964   7.7723   85.667   20.109   90.281   16.541 -4.614075 26.03823 
1 1 1   -6   17   52 o  173.687   7.6738   85.131   7.0579   75.376   10.707   92.627   9.3857  164.183   12.069  183.191   9.4814 -19.00844 15.34757 
1 1 1   -6   17   53 o  143.588   8.5520   58.094   6.4918   56.709   10.217   59.031   8.4072  141.557   13.357  145.619   10.684 -4.062271 17.10409 
1 1 1   -6   17   54 o  173.628   7.6618   85.368   7.0721   75.894   10.598   92.973   9.4954  164.206   11.944  183.049   9.5997 -18.84267 15.32358 
1 1 1   -6   17   55 o  194.999   7.2871  105.072   7.6250  113.501   11.636   98.729   10.094  201.571   10.683  188.426   9.9141 13.14468 14.57425 
1 1 1   -6   17   56 o   89.071   13.625   25.871   6.4179   18.194   10.050   31.158   8.3401   74.580   22.813  103.562   14.903 -28.98260 27.24956 
1 1 1   -6   17   57 o  159.320   8.5157   71.827   7.2207   74.045   11.285   70.289   9.3957  160.748   12.992  157.893   11.012 2.855301 17.03137 
1 1 1   -6   17   58 o  114.980   10.869   38.816   6.6535   43.530   10.537   35.690   8.5806  120.043   16.244  109.917   14.447 10.12615 21.73854 
1 1 1   -6   17   59 o  144.866   14.223   61.449   11.134   61.449   11.134   0.0000   0.0000  144.866   14.223  ?   ?       ?      ? 
1 1 1   -6   17   60 o  135.132   10.158   52.344   7.1934   73.255   11.149   37.431   9.4153  158.627   13.007  111.638   15.608 46.98931 20.31687 
1 1 1   -6   17   61 o   81.769   14.941   23.465   6.7578   32.798   10.457   16.773   8.8553   96.272   20.716   67.266   21.537 29.00584 29.88289 
1 1 1   -6   17   62 o  116.552   12.202   42.619   7.2418   58.754   10.995   30.256   9.6242  138.619   14.678   94.486   19.497 44.13284 24.40449 
1 1 1   -6   18    3 o  179.061   6.7903   87.164   6.5344   78.773   9.4021   95.004   9.0880  170.672   10.195  187.451   8.9721 -16.77927 13.58051 
1 1 1   -6   18    4 o  888.435   11.018  2137.13   52.897  2130.43   74.697  2143.86   74.918  887.039   15.584  889.830   15.581 -2.791382 22.03668 
1 1 1   -6   18    5 o  1018.97   17.680  2813.04   97.349   0.0000   0.0000  2813.04   97.349  ?   ?   1018.97   17.680      ?      ? 
1 1 1   -6   18    6 o  860.641   10.701  2002.23   49.712  1943.95   68.373  2067.58   72.407  847.398   14.932  873.883   15.333 -26.48517 21.40251 
1 1 1   -6   18    8 o  401.932   8.9487  436.789   19.436  436.789   19.436   0.0000   0.0000  401.932   8.9487  ?   ?       ?      ? 
1 1 1   -6   18    9 o  965.220   11.872  2522.43   61.902  2483.28   86.266  2563.99   88.880  957.519   16.673  972.921   16.906 -15.40192 23.74408 
1 1 1   -6   18   11 o  517.847   10.190  725.229   28.515   0.0000   0.0000  725.229   28.515  ?   ?   517.847   10.190      ?      ? 
1 1 1   -6   18   12 o  1023.19   12.569  2836.82   69.489  2814.23   97.614  2860.03   98.945  1019.07   17.727  1027.31   17.824 -8.242676 25.13810 
1 1 1   -6   18   13 o  521.036   7.3379  733.758   20.648  748.853   29.811  719.839   28.627  526.177   10.485  515.895   10.269 10.28253 14.67572 
1 1 1   -6   18   16 o  1006.24   12.361  2744.76   67.196  2708.55   93.863  2782.83   96.239  999.457   17.380  1013.03   17.581 -13.57062 24.72136 
1 1 1   -6   18   17 o   93.318   13.410   24.247   6.6436   32.433   9.5925   16.700   9.2102  109.388   16.228   77.248   21.352 32.14026 26.81907 
1 1 1   -6   18   18 o  253.788   9.0823  174.193   12.455   0.0000   0.0000  174.193   12.455  ?   ?   253.788   9.0823      ?      ? 
1 1 1   -6   18   19 f  401.893   9.2580  436.839   20.106   0.0000   0.0000  436.839   20.106  ?   ?   401.893   9.2580      ?      ? 
1 1 1   -6   18   20 o  609.884   8.1979  1003.86   26.974  958.584   36.891  1055.87   39.540  595.159   11.471  624.609   11.715 -29.45020 16.39581 
1 1 1   -6   18   21 o  237.168   6.9397  152.133   8.8926  148.786   12.476  155.591   12.679  234.515   9.8447  239.820   9.7837 -5.305511 13.87950 
1 1 1   -6   18   22 o  434.228   6.8284  510.145   16.021  505.286   22.746  514.929   22.568  432.171   9.7401  436.285   9.5727 -4.114258 13.65673 
1 1 1   -6   18   23 f  501.152   7.2914  678.701   19.733  651.168   27.356  708.568   28.492  490.569   10.320  511.735   10.304 -21.16635 14.58274 
1 1 1   -6   18   24 o  207.811   10.751  116.880   12.073   0.0000   0.0000  116.880   12.073  ?   ?   207.811   10.751      ?      ? 
1 1 1   -6   18   25 o  229.255   7.0751  142.402   8.7552  136.774   12.495  147.829   12.271  224.789   10.287  233.720   9.7165 -8.930923 14.15016 
1 1 1   -6   18   26 o  256.389   7.4712  178.151   10.339  183.034   14.408  172.967   14.844  260.030   10.254  252.748   10.869 7.281555 14.94235 
1 1 1   -6   18   27 o  531.542   7.6003  763.008   21.793  732.296   29.772  798.458   31.986  520.066   10.594  543.019   10.901 -22.95239 15.20059 
1 1 1   -6   18   28 o  438.458   9.5384  520.460   22.599   0.0000   0.0000  520.460   22.599  ?   ?   438.458   9.5384      ?      ? 
1 1 1   -6   18   29 o  422.431   6.7349  483.323   15.371  477.641   21.835  488.906   21.643  419.959   9.6216  424.903   9.4264 -4.944031 13.46971 
1 1 1   -6   18   30 o  271.130   8.9921  199.049   13.174   0.0000   0.0000  199.049   13.174  ?   ?   271.130   8.9921      ?      ? 
1 1 1   -6   18   31 o  468.997   9.8817  595.049   24.879  619.594   37.707  576.126   33.107  477.401   14.617  460.594   13.302 16.80701 19.76346 
1 1 1   -6   18   32 o  392.960   9.2727  420.167   19.629  411.036   28.737  428.153   26.875  388.856   13.676  397.064   12.526 -8.208435 18.54543 
1 1 1   -6   18   33 o  295.352   9.2156  239.467   14.545  217.995   21.624  257.207   19.656  282.978   14.141  307.726   11.821 -24.74774 18.43118 
1 1 1   -6   18   34 o   66.043   13.334   7.0936   6.3868   24.947   9.7809  -6.1774   8.4329   93.583   19.951   38.502   17.696 55.08139 26.66850 
1 1 1   -6   18   35 o  246.767   6.6057  164.807   8.7808  169.923   13.020  160.538   11.892  250.241   9.6290  243.294   9.0456 6.947052 13.21139 
1 1 1   -6   18   36 o  192.570   7.4055  101.058   7.6840   95.169   11.065  106.544   10.679  187.084   10.945  198.055   9.9782 -10.97118 14.81094 
1 1 1   -6   18   37 o  204.086   9.6447  113.187   10.636   0.0000   0.0000  113.187   10.636  ?   ?   204.086   9.6447      ?      ? 
1 1 1   -6   18   38 o  178.850   7.7433   87.654   7.4225   81.656   10.987   92.690   10.068  173.081   11.747  184.618   10.092 -11.53647 15.48662 
1 1 1   -6   18   39 o  104.021   15.614   33.325   8.1480   38.092   9.9394   23.559   14.228  117.726   15.624   90.317   27.039 27.40916 31.22818 
1 1 1   -6   18   40 o   45.627   14.693  -7.6256   7.6038 -11.2061   9.4256  -0.9529   12.867   36.851   17.497   54.403   23.608 -17.55188 29.38526 
1 1 1   -6   18   41 o   95.021   17.874   26.568   9.2972   24.820   12.463   28.761   13.961   91.683   24.631   98.360   25.907 -6.677452 35.74715 
1 1 1   -6   18   42 o  406.528   9.4770  454.412   20.816  450.000   29.141  459.009   29.743  404.552   13.330  408.504   13.474 -3.952515 18.95404 
1 1 1   -6   18   43 o  342.181   9.1692  322.122   16.948  320.045   23.628  324.324   24.324  341.115   12.818  343.246   13.114 -2.131134 18.33831 
1 1 1   -6   18   44 o   42.726   13.384  -2.0626   6.0546  -3.2098   9.4710  -1.2698   7.8736   43.724   19.553   41.728   18.281 1.995205 26.76733 
1 1 1   -6   18   45 o  128.193   9.7612   47.230   6.4752   38.211   10.102   53.519   8.4361  116.856   15.998  139.530   11.189 -22.67383 19.52239 
1 1 1   -6   18   46 o  125.932   9.7026   45.240   6.3353   39.200   10.093   49.166   8.1383  118.243   15.796  133.621   11.271 -15.37748 19.40525 
1 1 1   -6   18   47 o   44.727   13.631  -0.3030   5.8841   2.7098   9.3614  -2.2707   7.5654   50.114   20.868   39.339   17.542 10.77489 27.26159 
1 1 1   -6   18   48 o  119.490   10.235   41.208   6.3944   33.986   9.7675   46.624   8.4590  109.383   16.525  129.597   12.079 -20.21443 20.46916 
1 1 1   -6   18   49 o   76.273   13.371   17.830   6.1574   7.0301   9.1881   26.634   8.2958   55.800   21.525   96.746   15.869 -40.94615 26.74218 
1 1 1   -6   18   50 o  182.324   7.1889   90.926   7.0339  100.122   10.744   84.028   9.3054  190.188   10.454  174.460   9.8708 15.72812 14.37788 
1 1 1   -6   18   51 o  141.341   8.6241   56.128   6.5320   54.352   9.7913   57.551   8.7684  138.964   13.039  143.717   11.291 -4.753265 17.24821 
1 1 1   -6   18   52 o   90.693   13.199   25.333   6.2896   20.516   9.4966   29.097   8.3947   80.797   21.408  100.588   15.444 -19.79070 26.39785 
1 1 1   -6   18   53 o  216.660   6.8087  130.520   7.9107  128.439   11.883  132.177   10.601  214.727   10.241  218.593   8.9751 -3.865967 13.61733 
1 1 1   -6   18   54 o  145.654   9.0040   61.969   6.8367   48.743   10.291   72.417   9.1470  130.225   14.624  161.084   10.508 -30.85870 18.00803 
1 1 1   -6   18   55 o   76.435   12.628   14.104   6.4510   36.526   10.248  -0.6138   8.3025  110.842   17.110   42.028   18.578 68.81413 25.25624 
1 1 1   -6   18   56 o   58.881   15.133   8.7418   6.3416   16.103   10.103   3.9556   8.1465   70.134   23.047   47.629   19.617 22.50414 30.26509 
1 1 1   -6   18   57 o  111.384   12.340   39.399   6.9304   32.916   10.743   44.020   9.0700  100.185   20.534  122.584   13.693 -22.39938 24.68077 
1 1 1   -6   18   58 o   85.140   13.257   21.453   6.8260   42.149   10.468   6.1413   9.0037  118.538   16.342   51.741   20.878 66.79749 26.51312 
1 1 1   -6   18   59 o   58.693   14.922   10.033   6.7506   1.0806   10.202   17.006   9.0038   46.653   20.610   70.732   21.585 -24.07914 29.84413 
1 1 1   -6   18   60 o   96.756   13.499   30.741   6.8681   40.765   10.747   23.820   8.9298  111.534   17.831   81.977   20.272 29.55663 26.99820 
1 1 1   -6   18   61 o   73.633   15.678   22.543   8.0658   4.6532   15.450   29.246   9.4569   54.367   24.585   92.899   19.462 -38.53253 31.35599 
1 1 1   -6   19    2 o  783.623   9.9238  1661.83   42.010  1678.06   60.236  1646.46   58.619  787.334   14.158  779.913   13.909 7.421204 19.84752 
1 1 1   -6   19    5 o  912.534   16.025  2255.55   79.017   0.0000   0.0000  2255.55   79.017  ?   ?   912.534   16.025      ?      ? 
1 1 1   -6   19    6 o  108.270   11.194   31.753   6.5490   31.653   9.2980   31.851   9.2259  108.101   15.917  108.440   15.744 -0.3397369 22.38870 
1 1 1   -6   19    8 f  613.235   8.2703  1017.54   27.405  1010.49   38.805  1024.55   38.707  611.113   11.751  615.357   11.641 -4.244385 16.54068 
1 1 1   -6   19    9 o  431.926   6.7747  504.007   15.802  481.519   21.964  528.138   22.752  421.946   9.6332  441.905   9.5281 -19.95917 13.54933 
1 1 1   -6   19   10 o  366.643   9.3096  363.559   18.444  363.559   18.444   0.0000   0.0000  366.643   9.3096  ?   ?       ?      ? 
1 1 1   -6   19   11 o  394.483   6.5200  420.678   13.892  427.165   20.000  414.630   19.311  397.417   9.3132  391.550   9.1272 5.866638 13.04003 
1 1 1   -6   19   14 o  672.276   12.528  1223.40   45.510   0.0000   0.0000  1223.40   45.510  ?   ?   672.276   12.528      ?      ? 
1 1 1   -6   19   15 o  1122.64   13.718  3419.58   83.204  3379.56  116.384  3461.43  118.997  1115.94   19.300  1129.33   19.500 -13.38550 27.43604 
1 1 1   -6   19   16 o  287.190   6.8324  223.111   10.590  208.672   14.863  237.998   15.092  277.744   9.9035  296.636   9.4153 -18.89255 13.66479 
1 1 1   -6   19   17 o  670.408   8.8433  1215.77   32.019  1186.83   44.403  1247.12   46.215  662.114   12.411  678.703   12.601 -16.58936 17.68658 
1 1 1   -6   19   18 o  385.433   6.7132  401.911   13.980  396.786   19.816  406.989   19.727  382.982   9.5752  387.883   9.4119 -4.900757 13.42639 
1 1 1   -6   19   19 f  494.718   7.3282  660.290   19.562  622.583   26.824  703.118   28.588  479.678   10.349  509.757   10.378 -30.07928 14.65644 
1 1 1   -6   19   20 o  411.671   9.5128  458.459   21.162   0.0000   0.0000  458.459   21.162  ?   ?   411.671   9.5128      ?      ? 
1 1 1   -6   19   21 o  269.841   6.9918  197.233   10.130  169.234   14.124  226.900   14.538  250.072   10.452  289.609   9.2899 -39.53720 13.98368 
1 1 1   -6   19   22 o  114.598   12.731   36.778   7.5592   30.122   10.930   42.881   10.466  103.469   20.274  125.728   15.405 -22.25941 25.46235 
1 1 1   -6   19   23 o  186.356   8.1346   93.997   8.1889   96.480   11.765   91.663   11.405  188.740   11.536  183.972   11.472 4.768875 16.26920 
1 1 1   -6   19   24 o  386.033   6.6582  403.391   13.885  394.981   19.718  411.664   19.556  382.032   9.5516  390.034   9.2788 -8.002472 13.31648 
1 1 1   -6   19   25 f  213.257   7.9226  124.479   8.9940  100.229   12.751  148.490   12.688  192.316   12.270  234.198   10.026 -41.88243 15.84526 
1 1 1   -6   19   26 o  260.646   10.095  183.999   14.219  183.999   14.219   0.0000   0.0000  260.646   10.095  ?   ?       ?      ? 
1 1 1   -6   19   27 o  392.419   9.2651  416.998   19.647   0.0000   0.0000  416.998   19.647  ?   ?   392.419   9.2651      ?      ? 
1 1 1   -6   19   28 f  247.934   9.0066  170.777   10.799  157.838   20.085  176.038   12.808  240.915   15.428  254.953   9.2971 -14.03844 18.01317 
1 1 1   -6   19   29 o  389.122   9.4839  411.824   19.901  381.531   28.144  442.117   28.144  374.716   13.899  403.529   12.907 -28.81345 18.96772 
1 1 1   -6   19   30 o  195.850   11.314  103.427   11.729  109.797   18.803   99.369   15.006  200.591   17.347  191.110   14.531 9.481369 22.62852 
1 1 1   -6   19   31 o  378.519   12.492  389.414   25.551   0.0000   0.0000  389.414   25.551  ?   ?   378.519   12.492      ?      ? 
1 1 1   -6   19   32 o  337.268   8.8835  308.359   16.190   0.0000   0.0000  308.359   16.190  ?   ?   337.268   8.8835      ?      ? 
1 1 1   -6   19   33 o  107.655   12.614   32.666   7.0694   27.576   10.229   37.320   9.7809   98.429   19.916  116.880   15.486 -18.45093 25.22869 
1 1 1   -6   19   34 o  294.468   6.4735  235.638   10.286  226.048   14.738  244.745   14.362  288.576   9.4512  300.360   8.8487 -11.78391 12.94693 
1 1 1   -6   19   35 o  285.780   8.8784  221.720   13.711   0.0000   0.0000  221.720   13.711  ?   ?   285.780   8.8784      ?      ? 
1 1 1   -6   19   36 o  165.887   8.2394   74.744   7.3549   77.646   10.995   72.394   9.8947  168.740   12.058  163.033   11.231 5.706482 16.47885 
1 1 1   -6   19   37 o  274.612   8.7537  204.809   12.990   0.0000   0.0000  204.809   12.990  ?   ?   274.612   8.7537      ?      ? 
1 1 1   -6   19   38 o   86.598   16.763   23.201   8.0106   26.899   9.5487   14.414   14.718   96.876   18.919   76.320   27.679 20.55537 33.52699 
1 1 1   -6   19   39 o  147.524   12.389   60.349   9.8248   59.685   13.210   61.171   14.697  146.808   16.653  148.240   18.347 -1.431519 24.77741 
1 1 1   -6   19   40 o  230.219   9.5404  143.964   11.784  131.441   15.573  160.743   18.026  218.738   13.175  241.700   13.802 -22.96149 19.08079 
1 1 1   -6   19   41 o  175.708   11.379   85.639   10.803   84.527   15.111   86.802   15.449  174.562   16.020  176.854   16.165 -2.291351 22.75865 
1 1 1   -6   19   42 o  131.158   9.9184   49.710   6.7000   36.990   10.201   59.361   8.8852  115.181   16.389  147.136   11.175 -31.95496 19.83689 
1 1 1   -6   19   43 o   47.538   14.024   1.9236   6.0189  -1.0598   9.4651   3.9490   7.7988   46.021   20.105   49.054   19.556 -3.032623 28.04757 
1 1 1   -6   19   44 o  121.688   9.9778   40.433   6.4803   45.778   10.180   36.791   8.4028  128.187   14.696  115.190   13.500 12.99760 19.95558 
1 1 1   -6   19   45 o   79.867   13.381   19.792   6.0735   9.9009   9.3875   26.913   7.9653   61.679   22.141   98.055   15.033 -36.37586 26.76188 
1 1 1   -6   19   46 o  133.563   9.3412   51.084   6.5248   42.605   10.020   57.325   8.5973  123.056   15.069  144.069   11.043 -21.01326 18.68234 
1 1 1   -6   19   47 o  158.153   7.9822   67.594   6.7326   80.192   10.615   59.115   8.7082  170.098   11.549  146.207   11.022 23.89110 15.96447 
1 1 1   -6   19   48 o   58.781   14.344   9.3796   5.9084   3.2343   9.1620   13.755   7.7307   49.945   20.708   67.617   19.854 -17.67122 28.68821 
1 1 1   -6   19   49 o  142.754   8.6494   56.310   6.6058   61.301   10.233   52.744   8.6495  147.893   12.805  137.616   11.631 10.27689 17.29879 
1 1 1   -6   19   50 o  148.060   8.9076   63.529   6.8807   48.974   10.244   75.492   9.2873  131.214   14.448  164.906   10.422 -33.69177 17.81520 
1 1 1   -6   19   51 o  172.998   7.8818   84.218   7.2351   80.211   11.183   87.102   9.4887  168.833   12.258  177.163   9.9117 -8.329605 15.76356 
1 1 1   -6   19   52 o  101.175   12.732   32.032   6.4831   24.998   10.183   36.826   8.4071   88.738   21.469  113.611   13.694 -24.87218 25.46474 
1 1 1   -6   19   53 o  242.072   6.6968  163.223   8.7095  155.962   12.844  169.402   11.850  236.671   10.043  247.472   8.8615 -10.80081 13.39370 
1 1 1   -6   19   54 f  148.701   8.8872   61.918   7.0721   74.965   10.795   52.106   9.3608  162.346   12.305  135.055   12.827 27.29024 17.77446 
1 1 1   -6   19   55 o  133.069   10.418   54.818   6.9485   37.369   10.656   67.728   9.1652  111.248   17.726  154.890   10.950 -43.64232 20.83536 
1 1 1   -6   19   56 o  148.609   9.2497   64.954   7.3033   59.066   11.023   69.561   9.7508  141.390   14.427  155.828   11.580 -14.43745 18.49949 
1 1 1   -6   19   57 o   75.190   15.870   18.606   6.8705   22.523   10.739   15.893   8.9391   81.079   23.285   69.301   21.569 11.77747 31.73957 
1 1 1   -6   19   58 o  132.540   10.324   52.602   7.2976   50.641   11.083   54.102   9.6961  129.219   15.872  135.862   13.207 -6.642624 20.64868 
1 1 1   -6   19   59 o   74.198   15.175   18.515   6.7697   31.547   10.851   10.210   8.6622   93.203   21.914   55.194   20.996 38.00923 30.34920 
1 1 1   -6   19   60 o   73.445   17.167   22.506   9.4561   5.5203   16.119   31.419   11.676   55.294   25.049   91.596   23.481 -36.30203 34.33361 
1 1 1   -6   20    2 o  722.165   9.3670  1411.34   36.541  1384.89   50.877  1439.53   52.515  715.190   13.165  729.141   13.328 -13.95093 18.73398 
1 1 1   -6   20    3 o  526.305   7.5768  749.519   21.546  741.175   30.561  757.766   30.382  523.386   10.806  529.224   10.624 -5.838135 15.15367 
1 1 1   -6   20    4 o  511.017   10.460  706.492   28.883   0.0000   0.0000  706.492   28.883  ?   ?   511.017   10.460      ?      ? 
1 1 1   -6   20    5 o  1071.90   13.198  3117.28   76.441  3095.48  107.580  3139.52  108.636  1068.12   18.639  1075.68   18.690 -7.558350 26.39554 
1 1 1   -6   20    6 o  468.749   10.229  594.414   25.910  594.414   25.910   0.0000   0.0000  468.749   10.229  ?   ?       ?      ? 
1 1 1   -6   20    7 o  305.353   6.7242  251.173   11.068  229.020   15.157  276.482   16.201  290.982   9.6398  319.724   9.3774 -28.74255 13.44843 
1 1 1   -6   20   10 o   80.971   17.094   18.021   8.2141   22.374   11.276   13.099   11.990   89.079   23.197   72.864   25.114 16.21442 34.18741 
1 1 1   -6   20   11 o  442.874   7.1315  529.284   17.046  500.593   23.444  561.462   24.828  430.172   10.086  455.575   10.085 -25.40286 14.26304 
1 1 1   -6   20   12 o  545.911   7.8016  806.368   23.013  795.744   32.362  817.237   32.732  542.273   11.044  549.549   11.022 -7.276306 15.60328 
1 1 1   -6   20   13 o   44.649   14.169 -11.6435   7.8685 -25.4035   11.047   2.5290   11.211   33.426   16.536   55.872   23.012 -22.44592 28.33733 
1 1 1   -6   20   15 o  730.348   13.479  1444.77   53.194   0.0000   0.0000  1444.77   53.194  ?   ?   730.348   13.479      ?      ? 
1 1 1   -6   20   16 o  539.569   7.7859  786.252   22.671  756.566   31.107  819.885   33.111  528.739   10.888  550.399   11.133 -21.66064 15.57181 
1 1 1   -6   20   17 o  425.747   7.0875  490.034   16.299  473.550   22.683  507.629   23.435  418.351   10.034  433.144   10.013 -14.79321 14.17509 
1 1 1   -6   20   18 o  575.370   11.281  896.257   35.075   0.0000   0.0000  896.257   35.075  ?   ?   575.370   11.281      ?      ? 
1 1 1   -6   20   20 o  129.803   12.741   48.227   8.1965   30.195   11.609   66.151   11.574  103.400   21.479  156.206   13.712 -52.80605 25.48301 
1 1 1   -6   20   21 o  280.852   9.8327  213.490   14.922   0.0000   0.0000  213.490   14.922  ?   ?   280.852   9.8327      ?      ? 
1 1 1   -6   20   22 o  476.885   7.2478  615.692   18.674  617.907   26.667  613.562   26.159  477.718   10.330  476.051   10.169 1.666931 14.49569 
1 1 1   -6   20   23 o   58.208   15.300   3.4981   7.4916  -8.8591   10.935   14.430   10.285   43.218   19.967   73.198   23.187 -29.98075 30.59899 
1 1 1   -6   20   24 o  145.072   9.9738   57.243   7.8058   54.056   11.120   60.339   10.960  141.060   14.588  149.085   13.605 -8.025528 19.94758 
1 1 1   -6   20   25 o  581.644   11.306  917.197   35.535   0.0000   0.0000  917.197   35.535  ?   ?   581.644   11.306      ?      ? 
1 1 1   -6   20   26 o  279.937   10.280  215.129   15.379  194.189   22.783  232.658   20.844  267.149   15.782  292.726   13.178 -25.57748 20.56030 
1 1 1   -6   20   27 f  357.023   9.4228  344.543   18.020  359.009   27.593  333.784   23.796  363.417   14.051  350.630   12.559 12.78647 18.84562 
1 1 1   -6   20   28 o  380.798   9.6171  394.290   19.728  354.279   27.536  436.487   28.278  360.855   14.122  400.741   13.059 -39.88571 19.23412 
1 1 1   -6   20   29 o  157.537   10.663   68.763   8.8517   73.564   11.568   61.982   13.748  164.459   13.018  150.616   16.892 13.84274 21.32623 
1 1 1   -6   20   30 o  199.322   7.7020  107.891   8.2744   97.902   11.566  118.362   11.842  189.836   11.275  208.809   10.495 -18.97240 15.40402 
1 1 1   -6   20   31 o  380.840   9.2002  393.428   18.933   0.0000   0.0000  393.428   18.933  ?   ?   380.840   9.2002      ?      ? 
1 1 1   -6   20   32 o  195.546   7.8147  104.176   8.2412   99.457   11.847  108.600   11.472  191.199   11.467  199.892   10.620 -8.693497 15.62936 
1 1 1   -6   20   33 f  452.451   7.0005  555.606   17.102  528.117   23.704  585.449   24.699  440.782   9.9521  464.120   9.8482 -23.33856 14.00106 
1 1 1   -6   20   34 o   76.779   15.839   16.756   6.9810   17.841   10.017   15.731   9.7339   78.938   22.429   74.619   22.370 4.319061 31.67828 
1 1 1   -6   20   35 o  228.509   14.553  143.086   17.969   0.0000   0.0000  143.086   17.969  ?   ?   228.509   14.553      ?      ? 
1 1 1   -6   20   36 o   70.095   17.551   11.528   9.0799   19.259   11.657  -0.3973   14.478   81.891   24.465   58.299   25.170 23.59197 35.10120 
1 1 1   -6   20   37 o   65.875   17.418   9.4986   8.6191   14.032   11.263   3.0923   13.390   72.071   24.350   59.680   24.913 12.39109 34.83624 
1 1 1   -6   20   38 o   92.320   17.744   24.191   9.0536   18.773   11.720   32.207   14.256   80.602   24.633  104.039   25.546 -23.43658 35.48800 
1 1 1   -6   20   39 o   87.875   16.156   22.245   7.5166   24.797   12.541   20.815   9.3900   91.412   24.772   84.337   20.747 7.075333 32.31205 
1 1 1   -6   20   40 o   73.526   16.272   15.471   6.8471   14.189   12.620   16.006   8.1512   73.010   25.728   74.043   19.932 -1.033340 32.54493 
1 1 1   -6   20   41 f  100.156   13.046   30.513   6.5993   21.393   10.248   36.974   8.6258   84.760   22.135  115.553   13.814 -30.79256 26.09206 
1 1 1   -6   20   42 o  142.836   9.0715   57.697   6.8166   48.819   10.367   64.459   9.0472  132.489   14.481  153.183   10.930 -20.69328 18.14291 
1 1 1   -6   20   43 o  138.796   9.3263   52.228   6.9015   60.924   10.903   46.414   8.9150  148.103   13.623  129.490   12.741 18.61275 18.65265 
1 1 1   -6   20   44 o  239.278   6.7624  157.698   8.6747  152.150   12.977  162.180   11.664  235.200   10.210  243.356   8.8695 -8.156158 13.52490 
1 1 1   -6   20   45 o  205.926   7.0715  116.151   7.7599  120.052   12.099  113.425   10.114  208.561   10.735  203.290   9.2074 5.271454 14.14295 
1 1 1   -6   20   46 o   57.189   20.218   8.7932   7.7995   0.0000   0.0000   8.7932   7.7995  ?   ?    57.189   20.218      ?      ? 
1 1 1   -6   20   47 o  134.557   9.0650   50.290   6.5638   56.022   9.8197   45.661   8.8250  141.419   12.850  127.695   12.789 13.72343 18.12991 
1 1 1   -6   20   48 o   92.409   13.169   28.362   6.5278   11.362   9.9222   41.335   8.6679   63.615   22.770  121.203   13.235 -57.58855 26.33708 
1 1 1   -6   20   49 o  283.220   6.4655  222.244   9.8580  206.262   14.183  237.182   13.712  273.014   9.6138  293.426   8.6477 -20.41177 12.93091 
1 1 1   -6   20   50 o   67.250   14.791   14.213   6.1539   9.4314   9.5984   17.551   8.0189   59.285   22.201   75.216   19.550 -15.93141 29.58178 
1 1 1   -6   20   51 o  278.100   6.5335  215.136   9.7759  197.557   14.047  231.646   13.613  266.647   9.7492  289.552   8.7006 -22.90503 13.06702 
1 1 1   -6   20   52 o  268.715   6.6502  201.262   9.6183  187.463   13.881  214.004   13.340  259.427   9.9020  278.002   8.8798 -18.57455 13.30044 
1 1 1   -6   20   53 o  181.602   7.9995   93.256   7.7763   91.971   11.771   94.252   10.359  179.922   12.107  183.282   10.459 -3.360550 15.99909 
1 1 1   -6   20   54 o   39.532   12.895  -6.2697   6.3988   1.1213   9.9615 -11.4615   8.3490   46.921   20.558   32.144   15.571 14.77645 25.78956 
1 1 1   -6   20   55 o  122.849   10.815   44.058   7.0997   54.023   10.901   36.718   9.3558  134.923   14.952  110.775   15.630 24.14780 21.63005 
1 1 1   -6   20   56 o  113.625   17.543   39.247   10.771   39.247   10.771   0.0000   0.0000  113.625   17.543  ?   ?       ?      ? 
1 1 1   -6   20   57 o   80.307   15.002   21.593   6.7934   31.611   10.491   14.359   8.9148   96.367   20.759   64.246   21.664 32.12129 30.00444 
1 1 1   -6   20   58 o   47.430   15.102   1.8221   7.9409  -8.2770   15.915   5.1699   9.1630   46.450   22.243   48.409   20.433 -1.958828 30.20328 
1 1 1   -6   20   59 o   58.068   17.552   7.6239   9.2032   22.347   16.501   0.9757   11.088   70.249   28.292   45.886   20.782 24.36278 35.10480 
1 1 1   -6   21    1 o  133.960   10.284   48.524   7.4367   51.106   10.801   46.198   10.255  137.340   14.554  130.580   14.533 6.760590 20.56729 
1 1 1   -6   21    2 o  429.165   7.0662  497.889   16.378  476.168   22.834  520.909   23.506  419.527   10.072  438.803   9.9134 -19.27609 14.13247 
1 1 1   -6   21    3 o  152.163   9.4622   62.680   7.7784   61.434   10.864   63.991   11.142  150.613   13.349  153.713   13.414 -3.100128 18.92435 
1 1 1   -6   21    4 o  268.828   10.127  195.526   14.711   0.0000   0.0000  195.526   14.711  ?   ?   268.828   10.127      ?      ? 
1 1 1   -6   21    5 o  398.673   6.9780  429.863   15.016  432.742   21.793  427.260   20.719  399.932   10.084  397.414   9.6478 2.518219 13.95596 
1 1 1   -6   21    6 o  223.116   10.585  134.705   12.762   0.0000   0.0000  134.705   12.762  ?   ?   223.116   10.585      ?      ? 
1 1 1   -6   21    7 o  255.638   10.204  176.820   14.096   0.0000   0.0000  176.820   14.096  ?   ?   255.638   10.204      ?      ? 
1 1 1   -6   21    8 o  136.102   11.627   50.708   8.3612   37.990   11.659   64.174   11.997  118.307   18.238  153.897   14.426 -35.58987 23.25390 
1 1 1   -6   21   10 o  377.815   6.9081  385.814   14.096  397.503   20.339  375.009   19.554  383.314   9.8193  372.315   9.7196 10.99857 13.81622 
1 1 1   -6   21   11 o  171.567   13.532   79.732   12.545   79.732   12.545   0.0000   0.0000  171.567   13.532  ?   ?       ?      ? 
1 1 1   -6   21   13 o  223.494   8.4131  134.727   10.128  120.454   13.895  150.908   14.794  210.901   12.192  236.087   11.596 -25.18544 16.82626 
1 1 1   -6   21   14 o  625.820   8.6096  1058.49   29.075  1018.15   39.856  1104.38   42.508  613.121   12.030  638.518   12.320 -25.39673 17.21914 
1 1 1   -6   21   16 o   92.356   15.768   23.723   8.7036   38.185   12.133   8.3905   12.493  118.496   18.948   66.216   25.208 52.28033 31.53568 
1 1 1   -6   21   18 o  541.007   7.8199  792.590   22.859  780.144   32.185  805.260   32.473  536.717   11.097  545.297   11.021 -8.580017 15.63978 
1 1 1   -6   21   19 o  179.846   8.8190   87.988   8.5287   84.064   12.530   91.376   11.642  176.062   13.170  183.630   11.733 -7.568100 17.63807 
1 1 1   -6   21   20 o  587.494   11.462  935.527   36.388   0.0000   0.0000  935.527   36.388  ?   ?   587.494   11.462      ?      ? 
1 1 1   -6   21   21 o  257.146   7.2061  179.173   9.9890  163.157   13.983  195.866   14.275  245.383   10.545  268.908   9.8240 -23.52499 14.41217 
1 1 1   -6   21   22 o  272.711   9.9944  201.481   14.728   0.0000   0.0000  201.481   14.728  ?   ?   272.711   9.9944      ?      ? 
1 1 1   -6   21   23 o  350.971   10.147  336.404   19.086  320.270   28.484  349.549   25.712  343.148   15.362  358.794   13.262 -15.64618 20.29437 
1 1 1   -6   21   24 o  312.705   10.380  268.096   17.390  242.793   25.501  290.090   23.775  298.639   15.802  326.771   13.464 -28.13214 20.76057 
1 1 1   -6   21   25 o  340.276   9.7845  314.865   17.848  314.865   26.993  314.865   23.790  340.137   14.686  340.414   12.933 -0.2769775 19.56892 
1 1 1   -6   21   26 o  299.504   8.3756  237.194   12.851  224.390   15.646  263.739   22.528  287.633   10.066  311.375   13.389 -23.74207 16.75112 
1 1 1   -6   21   27 o  462.577   7.1576  580.666   17.889  570.714   25.335  590.560   25.262  458.604   10.223  466.549   10.020 -7.945465 14.31511 
1 1 1   -6   21   28 o  255.795   7.0790  177.848   9.7686  167.776   13.908  187.655   13.724  248.596   10.353  262.993   9.6570 -14.39706 14.15794 
1 1 1   -6   21   29 o   59.431   15.794   6.9869   6.9202   10.036   10.268   4.4498   9.3670   64.765   23.166   54.098   21.475 10.66765 31.58831 
1 1 1   -6   21   30 f  195.627   7.9338  104.251   8.3479  102.689   12.365  105.558   11.316  194.210   11.783  197.044   10.628 -2.834473 15.86760 
1 1 1   -6   21   32 o  204.845   15.176  115.045   16.799   0.0000   0.0000  115.045   16.799  ?   ?   204.845   15.176      ?      ? 
1 1 1   -6   21   33 f  272.846   9.3920  201.896   13.785  186.194   18.461  221.689   20.726  260.998   13.089  284.694   13.472 -23.69614 18.78399 
1 1 1   -6   21   34 o  246.635   9.5708  165.885   12.724  154.459   17.295  179.369   18.788  237.435   13.480  255.836   13.590 -18.40118 19.14151 
1 1 1   -6   21   35 f   58.102   17.265   1.9687   9.0873  -0.2586   11.885   5.1036   14.100   52.968   22.837   63.236   25.898 -10.26712 34.52915 
1 1 1   -6   21   36 o  201.359   10.657  112.128   11.486  113.581   15.293  110.248   17.396  203.169   13.930  199.550   16.133 3.619049 21.31444 
1 1 1   -6   21   37 o  373.399   13.202  383.333   26.638   0.0000   0.0000  383.333   26.638  ?   ?   373.399   13.202      ?      ? 
1 1 1   -6   21   38 o  127.634   11.657   44.424   7.6017   48.176   13.304   42.605   9.2627  130.996   18.795  124.273   13.793 6.723152 23.31330 
1 1 1   -6   21   39 o  196.966   8.7727  106.939   8.7031  106.689   15.365  107.057   10.560  196.102   14.500  197.829   9.8788 -1.727097 17.54542 
1 1 1   -6   21   40 o  113.067   11.198   35.956   6.7933   33.026   9.9253   38.538   9.3179  108.434   16.939  117.701   14.650 -9.267014 22.39574 
1 1 1   -6   21   41 o  223.857   7.1007  138.075   8.5456  126.559   12.344  148.673   11.842  214.648   10.643  233.066   9.4030 -18.41835 14.20140 
1 1 1   -6   21   42 o  141.146   9.3785   55.109   7.0803   57.296   10.897   53.510   9.3147  143.309   14.071  138.983   12.403 4.326508 18.75692 
1 1 1   -6   21   43 o  203.203   7.1765  114.058   7.7435  111.521   12.048  115.843   10.108  200.902   11.098  205.504   9.1022 -4.602203 14.35299 
1 1 1   -6   21   44 o  170.809   8.2390   83.053   7.3693   69.581   11.307   93.002   9.7166  157.795   13.260  183.823   9.7819 -26.02850 16.47797 
1 1 1   -6   21   45 o   75.114   14.509   17.980   6.4278   9.6536   10.138   23.577   8.3121   61.220   22.838   89.008   17.902 -27.78840 29.01840 
1 1 1   -6   21   46 o  144.486   9.1220   59.044   6.9782   55.649   10.819   61.462   9.1312  140.310   14.270  148.661   11.367 -8.351532 18.24406 
1 1 1   -6   21   47 o   66.217   15.322   12.839   6.3430   16.367   9.5327   10.035   8.4971   72.655   22.217   59.779   21.106 12.87566 30.64455 
1 1 1   -6   21   48 o  179.187   8.1134   91.518   7.6922   77.881   11.498  102.568   10.350  166.113   12.809  192.261   9.9620 -26.14818 16.22683 
1 1 1   -6   21   49 o  141.580   9.2614   54.921   6.9587   70.899   11.057   44.440   8.9547  158.120   12.940  125.041   13.253 33.07931 18.52272 
1 1 1   -6   21   50 o  177.873   8.0074   88.554   7.6244   90.163   11.639   87.344   10.091  178.858   12.042  176.889   10.557 1.968628 16.01486 
1 1 1   -6   21   51 o   41.380   13.244  -2.7854   6.3022  -1.3301   9.5540  -3.9064   8.3852   44.055   19.674   38.705   17.737 5.349594 26.48897 
1 1 1   -6   21   52 f  166.804   8.4906   79.394   7.5789   75.801   11.366   82.270   10.170  162.747   12.924  170.861   11.015 -8.113815 16.98123 
1 1 1   -6   21   53 o   63.664   15.400   13.180   6.7690   6.9662   10.292   17.916   8.9859   54.248   22.162   73.081   21.390 -18.83300 30.80068 
1 1 1   -6   21   54 o   75.357   15.827   19.347   6.8811   18.459   10.801   19.953   8.9270   73.111   23.821   77.603   20.845 -4.492256 31.65376 
1 1 1   -6   21   55 o  152.334   9.5586   67.637   7.7899   65.742   11.749   69.123   10.406  149.589   14.535  155.080   12.418 -5.490845 19.11720 
1 1 1   -6   21   56 o   50.849   16.367  -3.4409   7.9750   19.622   17.400  -9.5740   8.9730   67.847   28.368   33.852   16.336 33.99464 32.73491 
1 1 1   -6   21   57 o   51.210   16.369  -3.8072   9.0737   16.583   16.411 -12.7860   10.890   66.188   27.601   36.232   17.605 29.95588 32.73770 
1 1 1   -6   21   58 o   65.097   16.309   16.647   9.2169  -6.6036   16.480   27.230   11.118   46.888   22.500   83.306   23.615 -36.41784 32.61839 
1 1 1   -6   22    1 o  250.704   7.6861  178.018   9.3848  151.306   16.849  190.033   11.300  236.329   13.194  265.080   7.8889 -28.75125 15.37220 
1 1 1   -6   22    3 o  188.977   11.904   96.704   12.156   0.0000   0.0000   96.704   12.156  ?   ?   188.977   11.904      ?      ? 
1 1 1   -6   22    4 o  320.303   7.1186  277.627   12.316  278.193   17.673  277.093   17.173  320.613   10.201  319.993   9.9315 0.6205750 14.23717 
1 1 1   -6   22    5 o  173.818   9.0891   82.035   8.5092   89.560   12.025   74.488   12.042  181.842   12.238  165.794   13.442 16.04778 18.17818 
1 1 1   -6   22    6 o  371.458   7.0445  373.332   14.138  364.981   19.827  381.971   20.166  367.231   9.9913  375.685   9.9334 -8.453857 14.08895 
1 1 1   -6   22    7 o  445.649   10.361  537.596   24.950   0.0000   0.0000  537.596   24.950  ?   ?   445.649   10.361      ?      ? 
1 1 1   -6   22    8 o  140.600   11.159   53.613   8.4747   54.892   12.198   52.419   11.783  142.217   15.873  138.984   15.689 3.232864 22.31797 
1 1 1   -6   22   10 o  780.418   14.270  1651.65   60.178   0.0000   0.0000  1651.65   60.178  ?   ?   780.418   14.270      ?      ? 
1 1 1   -6   22   12 o  590.321   8.2926  939.637   26.386  884.089   35.802  1005.69   39.040  571.325   11.597  609.316   11.857 -37.99078 16.58525 
1 1 1   -6   22   13 o  221.805   8.2483  133.383   9.8770  127.695   14.034  138.965   13.903  217.101   11.963  226.509   11.359 -9.408630 16.49659 
1 1 1   -6   22   17 o  483.975   10.490  634.674   27.433   0.0000   0.0000  634.674   27.433  ?   ?   483.975   10.490      ?      ? 
1 1 1   -6   22   18 o  441.434   7.1711  527.728   17.081  531.885   24.873  524.017   23.499  443.049   10.389  439.819   9.8874 3.229370 14.34223 
1 1 1   -6   22   19 o  209.463   8.1590  119.133   9.2225  125.004   12.959  113.108   13.128  214.723   11.169  204.203   11.897 10.51990 16.31807 
1 1 1   -6   22   20 f  333.684   10.577  300.291   18.871  319.595   29.224  286.487   24.714  342.681   15.782  324.686   14.086 17.99561 21.15382 
1 1 1   -6   22   21 o  438.789   10.464  524.697   24.741  509.910   36.069  537.838   34.001  432.811   15.422  444.767   14.147 -11.95660 20.92823 
1 1 1   -6   22   22 o  103.723   21.718   30.736   12.978   27.568   20.356   32.905   16.845  100.466   32.700  106.979   28.592 -6.512878 43.43671 
1 1 1   -6   22   23 o  353.885   8.3759  335.363   15.358  323.819   19.021  356.982   26.031  345.508   10.188  362.262   13.298 -16.75446 16.75174 
1 1 1   -6   22   24 o  372.331   6.8452  375.995   13.772  372.366   19.397  379.685   19.557  370.518   9.6879  374.144   9.6732 -3.626038 13.69034 
1 1 1   -6   22   25 o  590.515   11.508  947.695   36.722   0.0000   0.0000  947.695   36.722  ?   ?   590.515   11.508      ?      ? 
1 1 1   -6   22   26 o  241.091   7.3598  157.990   9.5786  150.591   13.590  165.295   13.503  235.443   10.682  246.738   10.127 -11.29456 14.71968 
1 1 1   -6   22   27 o  492.012   7.3967  657.459   19.659  637.985   27.438  678.006   28.182  484.524   10.480  499.500   10.441 -14.97641 14.79333 
1 1 1   -6   22   28 o  250.921   13.832  172.072   18.754   0.0000   0.0000  172.072   18.754  ?   ?   250.921   13.832      ?      ? 
1 1 1   -6   22   29 o  413.100   9.6044  466.272   21.425  459.910   29.676  473.198   30.963  410.228   13.387  415.973   13.775 -5.745239 19.20871 
1 1 1   -6   22   30 o  145.106   13.267   59.081   10.172   63.446   13.393   53.131   15.637  151.934   16.313  138.279   20.927 13.65460 26.53443 
1 1 1   -6   22   31 o  389.600   9.4171  415.002   19.813  407.883   27.447  422.748   28.630  386.173   13.153  393.027   13.480 -6.853455 18.83420 
1 1 1   -6   22   32 o  237.902   9.6501  155.172   12.402  153.716   17.298  156.712   17.790  236.786   13.519  239.016   13.774 -2.229950 19.30021 
1 1 1   -6   22   33 o  352.913   7.8560  345.244   14.382  321.396   23.480  359.565   18.195  342.424   12.689  363.401   9.2655 -20.97726 15.71207 
1 1 1   -6   22   34 o  286.039   8.9962  222.774   13.905   0.0000   0.0000  222.774   13.905  ?   ?   286.039   8.9962      ?      ? 
1 1 1   -6   22   35 o   69.446   15.867   13.332   6.7724   15.184   10.072   11.803   9.1498   73.053   22.920   65.838   21.947 7.214142 31.73331 
1 1 1   -6   22   36 o  223.118   8.8753  133.869   10.285  126.551   12.732  147.613   17.448  214.991   10.959  231.244   13.963 -16.25307 17.75064 
1 1 1   -6   22   37 o  255.713   7.9111  175.263   10.333  192.432   18.163  167.046   12.565  264.165   12.724  247.261   9.4040 16.90393 15.82223 
1 1 1   -6   22   38 o  102.433   14.323   31.307   7.4611   27.297   12.231   33.684   9.4160   95.095   23.846  109.770   15.874 -14.67494 28.64622 
1 1 1   -6   22   39 o   53.131   14.748   4.0570   6.6624  -3.3969   9.9869   10.035   8.9433   44.657   20.016   61.606   21.663 -16.94838 29.49514 
1 1 1   -6   22   40 o  202.004   7.5236  112.683   8.1431  108.650   12.208  115.915   10.930  198.474   11.383  205.533   9.8410 -7.059448 15.04721 
1 1 1   -6   22   41 o  120.535   11.615   43.323   7.0070   32.511   10.622   51.655   9.3236  104.768   19.479  136.301   12.659 -31.53290 23.23090 
1 1 1   -6   22   42 o  256.997   6.6964  181.399   9.2181  182.320   14.001  180.694   12.247  257.289   10.071  256.704   8.8290 0.5849304 13.39277 
1 1 1   -6   22   43 o  133.242   9.8697   50.027   7.0205   49.517   10.749   50.405   9.2708  132.219   15.045  134.265   12.778 -2.046188 19.73946 
1 1 1   -6   22   44 o  301.434   6.6108  250.963   10.731  240.192   15.623  260.583   14.764  295.008   9.8001  307.859   8.8752 -12.85025 13.22164 
1 1 1   -6   22   45 o  117.113   10.863   38.850   6.8293   41.880   10.396   36.551   9.0579  120.865   15.918  113.362   14.787 7.502808 21.72610 
1 1 1   -6   22   46 o  132.940   9.9858   51.323   6.9979   41.646   10.326   59.542   9.5163  120.212   15.897  145.669   12.090 -25.45685 19.97151 
1 1 1   -6   22   47 o  175.838   8.3305   88.437   7.7493   75.599   11.606   98.763   10.409  163.281   13.154  188.395   10.225 -25.11409 16.66110 
1 1 1   -6   22   48 o  297.395   6.6704  246.150   10.661  235.879   15.715  254.905   14.509  291.161   9.9886  303.629   8.8433 -12.46716 13.34081 
1 1 1   -6   22   49 o  126.247   10.868   47.887   7.0902   36.932   10.773   56.258   9.4171  111.505   17.880  140.988   12.361 -29.48365 21.73676 
1 1 1   -6   22   50 o   74.020   15.147   15.869   6.8731   28.638   10.828   7.2515   8.8950   93.993   21.749   54.046   21.087 39.94692 30.29332 
1 1 1   -6   22   51 o  172.734   8.4797   84.990   7.8277   85.092   11.970   84.914   10.347  172.149   12.868  173.319   11.047 -1.170273 16.95949 
1 1 1   -6   22   52 o   51.689   14.778   5.6432   6.7892  -1.2784   10.580   10.489   8.8521   45.086   20.371   58.292   21.416 -13.20549 29.55683 
1 1 1   -6   22   53 o   42.323   13.688  -4.2388   6.9850   1.0943   10.694  -8.2069   9.2245   48.053   21.171   36.593   17.356 11.46045 27.37574 
1 1 1   -6   22   54 o   42.314   13.339  -4.1453   6.9467 -17.7907   10.774   5.5640   9.0881   34.079   16.758   50.550   20.758 -16.47128 26.67790 
1 1 1   -6   22   55 o  148.748   15.167   80.115   10.620   68.153   18.119   86.374   13.107  130.246   26.642  167.250   14.503 -37.00417 30.33389 
1 1 1   -6   22   56 o   53.991   16.602   6.0168   9.3143  -4.0135   16.555   10.662   11.267   50.063   23.596   57.919   23.360 -7.855785 33.20317 
1 1 1   -6   22   57 o  116.449   13.477   46.582   8.2816   49.691   11.773   43.536   11.652  122.014   17.856  110.885   20.190 11.12892 26.95343 
1 1 1   -6   23    1 o  304.597   7.4111  249.915   11.058  254.279   20.654  248.161   13.093  306.316   12.478  302.878   7.9997 3.437805 14.82212 
1 1 1   -6   23    2 o  483.195   8.5898  637.180   21.319  617.793   36.011  647.641   26.453  477.272   13.963  489.118   10.009 -11.84525 17.17963 
1 1 1   -6   23    3 o   80.024   16.468   17.993   7.6902   21.787   10.294   13.201   11.568   87.680   21.816   72.367   24.676 15.31284 32.93687 
1 1 1   -6   23    4 o  508.822   10.743  701.125   29.537   0.0000   0.0000  701.125   29.537  ?   ?   508.822   10.743      ?      ? 
1 1 1   -6   23    8 o  202.667   8.7186  111.381   9.5400  105.453   13.416  117.445   13.569  197.196   12.590  208.137   12.064 -10.94142 17.43719 
1 1 1   -6   23   10 o  340.176   10.096  313.463   18.558   0.0000   0.0000  313.463   18.558  ?   ?   340.176   10.096      ?      ? 
1 1 1   -6   23   11 o  307.614   7.1073  256.107   11.807  262.504   17.073  250.243   16.345  311.284   10.150  303.943   9.9516 7.341034 14.21469 
1 1 1   -6   23   12 o  378.879   7.0536  388.626   14.436  375.325   20.150  402.652   20.692  372.218   10.018  385.540   9.9323 -13.32141 14.10724 
1 1 1   -6   23   15 o  180.921   9.3547   89.276   9.0673   75.442   12.754  103.413   12.893  166.621   14.165  195.221   12.222 -28.60052 18.70930 
1 1 1   -6   23   16 o  337.249   9.6943  303.789   15.296  319.595   30.954  298.682   17.594  342.491   16.725  332.007   9.8071 10.48395 19.38855 
1 1 1   -6   23   17 o  371.066   10.916  377.836   21.709  340.315   31.683  411.036   29.804  353.346   16.594  388.787   14.186 -35.44150 21.83128 
1 1 1   -6   23   18 o  390.732   11.032  417.286   23.185  371.622   32.808  462.838   32.768  369.129   16.448  412.335   14.707 -43.20621 22.06415 
1 1 1   -6   23   19 f  328.793   10.889  295.119   19.034  292.342   29.619  297.072   24.842  327.206   16.752  330.381   13.915 -3.175354 21.77759 
1 1 1   -6   23   20 o  207.650   10.430  101.241   10.771   77.935   12.579  165.293   20.853  169.188   13.759  246.112   15.680 -76.92418 20.86068 
1 1 1   -6   23   21 o  465.811   7.3163  589.043   18.413  579.845   26.132  598.111   25.947  462.175   10.464  469.447   10.229 -7.272003 14.63259 
1 1 1   -6   23   22 o  228.923   7.8355  141.471   9.6614  129.601   13.070  155.773   14.346  218.404   11.074  239.442   11.088 -21.03777 15.67092 
1 1 1   -6   23   23 o  101.600   17.294   28.570   9.0894   25.077   11.299   34.977   15.302   93.360   22.632  109.840   26.156 -16.47967 34.58781 
1 1 1   -6   23   24 o  333.188   9.2039  302.679   16.569  308.333   23.483  297.072   23.383  336.309   12.922  330.067   13.110 6.241852 18.40780 
1 1 1   -6   23   25 o  394.316   9.4910  424.626   20.203  423.874   27.941  425.450   29.245  394.044   13.122  394.589   13.716 -0.5444946 18.98205 
1 1 1   -6   23   26 o   93.286   18.693   24.912   9.8497   21.428   13.252   29.212   14.723   86.613   26.133   99.959   26.736 -13.34592 37.38650 
1 1 1   -6   23   27 o  248.471   9.7313  168.820   13.062  168.063   18.233  169.617   18.721  247.932   13.610  249.010   13.913 -1.077560 19.46257 
1 1 1   -6   23   28 o  265.480   9.2972  190.837   13.247  177.703   17.537  208.288   20.215  255.044   12.725  275.917   13.558 -20.87239 18.59445 
1 1 1   -6   23   29 o  375.851   8.1023  389.916   15.873  368.018   25.731  403.368   20.168  366.702   12.985  385.000   9.6940 -18.29852 16.20466 
1 1 1   -6   23   30 o  386.102   6.9318  405.921   14.431  408.859   21.146  403.360   19.744  387.310   10.104  384.893   9.4930 2.417145 13.86368 
1 1 1   -6   23   31 o  131.190   10.559   47.465   7.4848   47.685   10.648   47.250   10.523  131.481   14.987  130.898   14.878 0.5824432 21.11766 
1 1 1   -6   23   32 o  126.088   10.924   43.848   7.3519   53.608   10.737   35.235   10.087  139.481   14.246  112.695   16.565 26.78651 21.84813 
1 1 1   -6   23   33 o  140.853   13.730   54.652   10.451   0.0000   0.0000   54.652   10.451  ?   ?   140.853   13.730      ?      ? 
1 1 1   -6   23   34 o   48.144   14.441  -2.3115   6.9437   6.8475   10.383  -9.7228   9.3396   58.746   22.820   37.543   17.703 21.20271 28.88185 
1 1 1   -6   23   35 o   97.092   16.796   27.298   8.5621   23.450   10.843   33.671   13.956   88.619   22.578  105.565   24.873 -16.94553 33.59241 
1 1 1   -6   23   36 o   37.780   12.588  -9.5537   6.6699 -11.8161   9.8451  -7.6343   9.0680   37.200   17.726   38.360   17.880 -1.159256 25.17684 
1 1 1   -6   23   37 o  128.468   11.714   45.396   7.8564   50.248   13.159   42.709   9.7933  133.142   18.290  123.795   14.640 9.346985 23.42784 
1 1 1   -6   23   38 o  185.781   8.0926   96.080   8.0469   84.841   11.700  106.168   11.085  175.054   12.369  196.507   10.439 -21.45329 16.18527 
1 1 1   -6   23   39 o  121.108   11.651   43.240   7.1252   31.255   10.318   54.166   9.8516  102.766   19.288  139.449   13.074 -36.68270 23.30174 
1 1 1   -6   23   40 o   82.945   15.380   20.956   6.9631   21.244   10.258   20.711   9.4821   83.309   22.332   82.581   21.155 0.7280655 30.76099 
1 1 1   -6   23   41 o  240.835   7.1283  161.025   9.2179  145.991   13.344  174.747   12.749  229.670   10.752  251.999   9.3623 -22.32883 14.25668 
1 1 1   -6   23   42 o   87.753   14.332   23.724   6.6789   20.197   9.7878   26.798   9.1366   80.802   21.879   94.704   18.517 -13.90256 28.66308 
1 1 1   -6   23   43 o   77.307   15.351   18.427   6.6897   20.775   9.7345   16.325   9.2086   81.778   21.678   72.835   21.741 8.942749 30.70195 
1 1 1   -6   23   44 o  170.103   8.6160   81.882   7.8434   72.983   11.446   89.761   10.769  160.780   13.174  179.426   11.107 -18.64539 17.23200 
1 1 1   -6   23   45 o  107.691   12.567   34.722   7.0686   31.654   10.396   37.359   9.6394  101.631   19.642  113.751   15.682 -12.11935 25.13417 
1 1 1   -6   23   46 o  203.471   7.7211  115.368   8.4275  119.695   12.800  112.057   11.197  206.461   11.473  200.480   10.336 5.980270 15.44213 
1 1 1   -6   23   47 o  113.991   11.792   37.408   7.1926   42.729   11.167   33.636   9.4025  120.554   17.142  107.428   16.197 13.12606 23.58412 
1 1 1   -6   23   48 o   67.536   15.950   14.575   6.8167   13.208   10.758   15.493   8.8115   65.520   23.679   69.551   21.376 -4.031143 31.89995 
1 1 1   -6   23   49 o   50.472   14.703   2.9234   6.6992   10.016   10.156  -2.5399   8.9134   59.722   22.731   41.223   18.655 18.49857 29.40544 
1 1 1   -6   23   50 o  123.359   14.523   44.876   9.6809   0.0000   0.0000   44.876   9.6809  ?   ?   123.359   14.523      ?      ? 
1 1 1   -6   23   51 o  114.031   12.145   39.213   7.4331   42.601   11.327   36.651   9.8508  117.857   17.786  110.206   16.542 7.651268 24.28905 
1 1 1   -6   23   52 o   96.770   19.713   29.977   9.9582   0.0000   0.0000   29.977   9.9582  ?   ?    96.770   19.713      ?      ? 
1 1 1   -6   23   53 o  107.543   18.709   43.550   10.229   49.820   18.396   40.743   12.308  107.091   30.383  107.995   21.841 -0.9035873 37.41891 
1 1 1   -6   23   54 o   41.920   14.340 -10.6752   9.5236 -20.3829   17.419  -6.5360   11.374   43.011   21.180   40.828   19.338 2.183109 28.68041 
1 1 1   -6   23   55 o  121.600   13.967   49.721   8.6318   34.393   11.711   67.950   12.772   96.476   22.822  146.725   16.109 -50.24949 27.93439 
1 1 1   -6   24    1 o  256.801   7.5033  179.922   9.6380  175.540   17.172  181.936   11.645  254.352   12.494  259.251   8.3126 -4.899521 15.00670 
1 1 1   -6   24    2 o  437.122   7.8013  524.184   16.646  503.378   30.813  532.758   19.780  430.603   13.242  443.640   8.2511 -13.03708 15.60267 
1 1 1   -6   24    3 o  309.636   10.043  259.755   16.804  259.755   16.804   0.0000   0.0000  309.636   10.043  ?   ?       ?      ? 
1 1 1   -6   24    4 o  238.271   7.7402  153.884   9.9644  152.977   13.958  154.827   14.230  237.560   10.873  238.982   11.019 -1.421585 15.48049 
1 1 1   -6   24    5 o  304.871   10.386  251.882   17.111  251.882   17.111   0.0000   0.0000  304.871   10.386  ?   ?       ?      ? 
1 1 1   -6   24    6 o  425.507   7.2211  490.442   16.600  478.665   23.231  502.730   23.730  420.287   10.229  430.727   10.195 -10.43979 14.44227 
1 1 1   -6   24    7 o   51.942   15.664  -0.3666   7.7844  -2.7303   10.752   2.2370   11.285   48.444   21.289   55.440   22.984 -6.996140 31.32871 
1 1 1   -6   24    8 o  391.364   7.1208  415.076   15.054  400.932   21.215  429.420   21.365  384.632   10.207  398.095   9.9316 -13.46262 14.24152 
1 1 1   -6   24   12 o  231.640   13.901  176.599   13.763   94.640   25.598  209.925   16.323  185.098   25.593  278.183   10.859 -93.08510 27.80137 
1 1 1   -6   24   13 o   45.211   22.497 -53.4910   21.621 -53.4910   21.621   0.0000   0.0000   45.211   22.497  ?   ?       ?      ? 
1 1 1   -6   24   14 o  285.568   18.079  223.086   27.898  223.086   27.898   0.0000   0.0000  285.568   18.079  ?   ?       ?      ? 
1 1 1   -6   24   15 o  229.899   22.684  145.766   28.181  145.766   28.181   0.0000   0.0000  229.899   22.684  ?   ?       ?      ? 
1 1 1   -6   24   17 o  334.459   9.6048  302.234   17.209  287.162   22.666  322.748   26.443  324.823   12.913  344.095   14.221 -19.27200 19.20952 
1 1 1   -6   24   18 o  205.484   10.203  115.980   11.228  122.703   15.190  107.883   16.670  212.249   13.244  198.720   15.524 13.52838 20.40564 
1 1 1   -6   24   19 o  346.434   9.0149  326.176   16.837  317.568   22.923  336.261   24.812  341.550   12.420  351.318   13.070 -9.767548 18.02978 
1 1 1   -6   24   20 o  222.601   9.9428  135.406   11.909  136.734   16.166  133.829   17.612  223.908   13.361  221.294   14.728 2.614105 19.88568 
1 1 1   -6   24   21 o  249.158   9.6394  169.671   12.960  172.432   17.953  166.667   18.728  251.356   13.218  246.960   14.034 4.395905 19.27880 
1 1 1   -6   24   22 o  344.742   9.1840  322.116   17.015  302.928   22.675  346.847   25.742  333.186   12.594  356.299   13.370 -23.11240 18.36803 
1 1 1   -6   24   23 o  263.320   9.6619  191.204   13.620  214.707   18.928  165.969   19.614  280.502   12.488  246.138   14.747 34.36337 19.32380 
1 1 1   -6   24   24 o  149.806   11.290   59.652   8.9641   79.009   14.063   46.406   11.634  169.712   15.335  129.901   16.574 39.81139 22.57997 
1 1 1   -6   24   25 o  100.910   14.923   29.196   7.8454   31.075   11.730   27.675   10.553  103.772   21.620   98.047   20.574 5.724297 29.84534 
1 1 1   -6   24   26 o  336.471   9.5775  308.042   17.414   0.0000   0.0000  308.042   17.414  ?   ?   336.471   9.5775      ?      ? 
1 1 1   -6   24   27 o  112.812   13.004   36.304   7.6346   41.282   10.555   30.841   11.056  122.286   15.973  103.338   20.524 18.94765 26.00708 
1 1 1   -6   24   28 o  123.064   11.690   41.772   7.7479   46.856   11.332   37.309   10.617  130.142   16.114  115.986   16.940 14.15565 23.38004 
1 1 1   -6   24   29 o  202.297   11.272  111.926   12.322   0.0000   0.0000  111.926   12.322  ?   ?   202.297   11.272      ?      ? 
1 1 1   -6   24   30 o  154.210   9.2601   65.387   7.7141   67.014   10.888   63.747   10.930  156.176   12.902  152.245   13.286 3.930603 18.52014 
1 1 1   -6   24   31 o  175.838   8.4546   84.215   8.0029   94.274   11.900   75.909   10.813  185.371   11.880  166.306   12.033 19.06538 16.90924 
1 1 1   -6   24   32 o   52.519   15.117   3.4370   6.8418   0.3740   9.8487   6.2940   9.5117   48.745   20.899   56.292   21.849 -7.546726 30.23469 
1 1 1   -6   24   33 f   44.964   14.043  -3.9671   7.0214 -10.9506   10.033   2.7355   9.8294   38.345   18.162   51.583   21.423 -13.23778 28.08579 
1 1 1   -6   24   34 o   55.442   16.469   1.4195   8.0651  -2.0139   9.9860   7.8604   13.677   46.147   20.388   64.737   25.869 -18.59011 32.93741 
1 1 1   -6   24   35 o   79.705   15.905   18.787   7.1319   21.706   10.719   16.467   9.5535   84.861   22.861   74.550   22.120 10.31075 31.81080 
1 1 1   -6   24   36 o  148.972   10.535   61.864   8.3123   63.761   13.199   60.617   10.701  150.354   16.246  147.591   13.418 2.763367 21.07020 
1 1 1   -6   24   37 o   87.267   14.220   23.438   7.0595   11.624   10.319   33.833   9.6791   65.291   23.237  109.244   16.396 -43.95300 28.43930 
1 1 1   -6   24   38 o  109.249   12.729   34.763   7.3092   33.242   10.716   36.086   9.9955  105.801   19.460  112.698   16.413 -6.896347 25.45765 
1 1 1   -6   24   39 o   68.655   15.338   13.374   7.0182   4.5302   10.144   21.492   9.7198   53.642   21.968   83.668   21.410 -30.02535 30.67556 
1 1 1   -6   24   40 o  298.198   6.8798  246.157   11.043  231.841   16.010  259.151   15.253  289.572   10.232  306.823   9.1999 -17.25171 13.75951 
1 1 1   -6   24   41 o   90.491   14.727   24.677   7.0996   32.503   10.704   18.530   9.4864  103.665   19.831   77.317   21.777 26.34846 29.45404 
1 1 1   -6   24   42 o  114.760   11.985   38.348   7.1481   47.630   10.528   30.410   9.7363  129.045   15.098  100.476   18.618 28.56936 23.97047 
1 1 1   -6   24   43 o   68.527   16.097   14.472   7.0753   11.268   10.467   17.167   9.6008   63.253   23.280   73.801   22.238 -10.54830 32.19452 
1 1 1   -6   24   44 o  120.716   11.261   42.295   7.3195   42.863   10.837   41.819   9.9259  121.117   16.558  120.315   15.267 0.8023682 22.52232 
1 1 1   -6   24   45 o  101.165   13.420   31.281   7.0804   29.014   10.725   33.033   9.4266   95.930   21.249  106.399   16.396 -10.46918 26.83917 
1 1 1   -6   24   46 o   71.702   15.205   15.137   6.7804   25.401   10.365   7.4592   8.9645   88.699   21.784   54.705   21.217 33.99482 30.40910 
1 1 1   -6   24   47 o   72.284   14.170   13.494   6.8970   31.547   10.648   0.4426   9.0529   99.723   20.445   44.844   19.625 54.87991 28.33980 
1 1 1   -6   24   48 o   63.331   15.906   12.814   6.9561   9.5242   10.695   15.226   9.1579   58.699   23.059   67.963   21.917 -9.264267 31.81273 
1 1 1   -6   24   49 o   56.018   15.337   8.1616   7.1490   0.1418   11.117   13.817   9.3354   47.447   21.203   64.589   22.166 -17.14208 30.67397 
1 1 1   -6   24   50 o   71.913   16.000   17.662   7.5434   8.8549   11.551   24.211   9.9607   58.466   23.628   85.361   21.582 -26.89497 32.00095 
1 1 1   -6   24   51 o   46.752   15.471  -6.4774   9.9382 -29.4369   19.612   1.4554   11.528   44.343   21.954   49.162   21.803 -4.818775 30.94143 
1 1 1   -6   24   52 o   44.839   15.256  -8.3303   9.6044   1.9977   17.400 -12.8559   11.518   52.914   24.698   36.763   17.917 16.15081 30.51272 
1 1 1   -6   24   53 o   77.541   17.589   23.230   8.3436   22.371   11.554   24.167   12.061   76.289   24.620   78.793   25.125 -2.504295 35.17704 
1 1 1   -6   24   54 o  137.529   10.897   59.809   8.0265   60.951   12.177   58.932   10.673  137.329   16.410  137.729   14.341 -0.4004211 21.79307 
1 1 1   -6   25    1 o  236.031   13.206  151.509   16.843   0.0000   0.0000  151.509   16.843  ?   ?   236.031   13.206      ?      ? 
1 1 1   -6   25    2 o  420.946   9.3457  481.708   21.254  493.694   30.415  470.270   29.712  426.062   13.211  415.829   13.223 10.23257 18.69148 
1 1 1   -6   25    3 o  298.384   8.9446  241.159   14.394  227.928   19.635  256.531   21.165  289.582   12.548  307.186   12.750 -17.60376 17.88913 
1 1 1   -6   25    4 o  386.137   9.1042  403.607   18.950  432.432   28.011  379.279   25.733  398.770   12.999  373.504   12.750 25.26514 18.20844 
1 1 1   -6   25    5 o  180.095   10.679   88.424   10.318   88.513   13.800   88.311   15.539  180.294   14.164  179.896   15.985 0.3978577 21.35785 
1 1 1   -6   25    6 o  107.518   16.167   32.958   9.0946   31.306   12.493   34.820   13.265  104.626   22.746  110.410   22.981 -5.784340 32.33458 
1 1 1   -6   25    7 o  134.765   20.791   49.932   15.141   0.0000   0.0000   49.932   15.141  ?   ?   134.765   20.791      ?      ? 
1 1 1   -6   25   13 o  263.566   9.8785  186.021   13.877  170.113   17.924  209.820   21.923  249.873   13.275  277.259   14.633 -27.38559 19.75710 
1 1 1   -6   25   14 f  135.238   13.908   50.768   10.069   54.324   13.672   46.554   14.883  140.664   17.987  129.812   21.217 10.85175 27.81587 
1 1 1   -6   25   15 o  161.779   11.496   75.596   9.4925   51.734   14.218   94.787   12.751  137.044   19.199  186.514   12.651 -49.46979 22.99272 
1 1 1   -6   25   16 o   69.308   16.777   11.573   7.9564   18.187   11.203   4.8421   11.301   80.179   23.991   58.437   23.457 21.74236 33.55304 
1 1 1   -6   25   17 o   88.778   16.538   22.967   8.5420   12.063   12.422   32.749   11.765   70.651   25.458  106.905   21.116 -36.25447 33.07507 
1 1 1   -6   25   18 o  177.294   9.6722   86.867   9.1585   74.023   13.221   98.717   12.699  164.365   14.885  190.224   12.354 -25.85895 19.34432 
1 1 1   -6   25   19 o   49.347   15.178  -1.3955   7.5327  -1.8940   10.226  -0.8043   11.137   47.658   20.857   51.035   22.055 -3.376682 30.35536 
1 1 1   -6   25   20 o  188.722   8.9106   96.721   9.0635  105.702   13.375   89.094   12.325  196.786   12.578  180.659   12.625 16.12680 17.82118 
1 1 1   -6   25   22 f  233.360   7.5080  148.325   9.4662  151.217   13.518  145.542   13.260  235.592   10.619  231.129   10.617 4.462662 15.01592 
1 1 1   -6   25   23 o  134.549   10.945   50.021   7.9279   45.688   11.304   54.214   11.122  128.665   16.258  140.434   14.656 -11.76888 21.88916 
1 1 1   -6   25   24 o  181.568   8.6096   90.335   8.4342   88.120   12.176   92.378   11.694  179.350   12.564  183.786   11.775 -4.435760 17.21927 
1 1 1   -6   25   25 o  180.892   8.7622   89.618   8.5616   92.973   12.279   86.443   11.944  184.196   12.336  177.588   12.447 6.608063 17.52436 
1 1 1   -6   25   27 o  136.349   10.993   51.434   8.0870   55.367   11.588   47.701   11.291  141.508   15.155  131.189   15.927 10.31831 21.98512 
1 1 1   -6   25   28 o  387.053   9.7414  408.935   20.374   0.0000   0.0000  408.935   20.374  ?   ?   387.053   9.7414      ?      ? 
1 1 1   -6   25   29 o   84.105   15.452   20.641   7.1396   25.700   10.566   16.390   9.6853   93.277   21.415   74.932   22.281 18.34458 30.90354 
1 1 1   -6   25   30 o   72.481   15.856   15.183   7.0772   9.9703   10.342   19.774   9.7059   63.371   23.168   81.592   21.654 -18.22115 31.71217 
1 1 1   -6   25   31 o   67.452   14.989   10.983   7.1276   22.553   10.067  -0.6471   10.093   86.973   21.534   47.932   20.854 39.04074 29.97725 
1 1 1   -6   25   32 o  222.807   7.6504  136.221   9.1923  139.417   13.496  133.455   12.555  225.146   11.093  220.469   10.538 4.676910 15.30088 
1 1 1   -6   25   33 o  125.428   14.593   49.188   8.8566   57.245   11.183   35.631   14.506  143.225   14.449  107.631   25.359 35.59443 29.18623 
1 1 1   -6   25   34 o  200.018   9.8287  111.629   10.358  111.202   13.256  112.297   16.596  200.259   12.250  199.776   15.374 0.4829254 19.65739 
1 1 1   -6   25   35 o  127.536   12.056   46.032   8.1475   47.815   12.931   44.858   10.492  128.969   18.555  126.103   15.398 2.865715 24.11142 
1 1 1   -6   25   36 o  136.849   10.545   52.852   7.7678   52.312   11.457   53.311   10.568  135.932   15.597  137.765   14.196 -1.832901 21.08990 
1 1 1   -6   25   37 f   91.248   14.695   25.798   7.3505   17.407   10.781   33.088   10.048   75.279   23.728  107.216   17.344 -31.93761 29.39063 
1 1 1   -6   25   38 f   90.226   15.114   25.209   7.2194   23.768   10.986   26.303   9.5779   87.169   22.992   93.283   19.623 -6.113243 30.22735 
1 1 1   -6   25   39 o   93.476   14.620   26.523   7.2414   34.640   10.729   19.732   9.8137  107.382   19.195   79.571   22.058 27.81159 29.24022 
1 1 1   -6   25   40 o  115.121   12.823   40.765   7.4179   29.341   10.978   50.365   10.063   97.043   21.500  133.200   13.981 -36.15667 25.64606 
1 1 1   -6   25   41 o   59.267   15.385   8.2600   7.0533   0.2776   10.148   15.720   9.8104   47.618   20.810   70.917   22.665 -23.29882 30.76928 
1 1 1   -6   25   42 o   89.821   15.124   25.297   7.2527   30.272   10.756   21.149   9.8216   98.270   20.898   81.373   21.868 16.89711 30.24759 
1 1 1   -6   25   43 o   38.212   12.673  -7.6847   6.6283  -9.9907   9.2866  -5.2900   9.4637   36.098   17.204   40.327   18.612 -4.229214 25.34551 
1 1 1   -6   25   44 o   85.964   15.220   23.696   7.1239   28.605   10.280   19.159   9.8812   95.141   20.593   76.786   22.418 18.35538 30.44058 
1 1 1   -6   25   45 f   37.077   12.480  -9.7525   6.8140  -7.4126   10.144 -11.6767   9.1986   39.742   18.649   34.412   16.589 5.329998 24.95969 
1 1 1   -6   25   46 o  150.054   9.7205   65.943   7.7772   56.270   11.245   74.812   10.767  138.388   15.038  161.721   12.321 -23.33278 19.44098 
1 1 1   -6   25   47 o  152.626   9.7505   68.108   7.9920   70.286   12.049   66.397   10.679  154.198   14.461  151.055   13.083 3.143692 19.50104 
1 1 1   -6   25   48 o  104.534   14.060   34.539   7.6835   51.688   11.480   20.621   10.341  131.377   16.170   77.692   23.005 53.68486 28.11977 
1 1 1   -6   25   49 f   85.032   18.035   28.392   10.687   6.9054   18.329   39.459   13.154   62.278   27.563  107.787   23.266 -45.50930 36.06944 
1 1 1   -6   25   50 o   48.289   15.920  -1.0664   9.9758  -7.9955   17.743   2.1363   12.063   48.265   23.210   48.313   21.797 -0.4796219E-01 31.84016 
1 1 1   -6   25   51 o   45.695   14.785  -0.9030   8.1607  -0.4127   10.901  -1.5279   12.308   45.107   20.499   46.282   21.312 -1.175468 29.57019 
1 1 1   -6   25   52 o  137.360   10.884   59.691   7.8568   46.050   11.156   73.113   11.066  119.046   17.343  155.675   13.155 -36.62930 21.76786 
1 1 1   -6   26    1 o  476.846   10.074  617.464   25.957   0.0000   0.0000  617.464   25.957  ?   ?   476.846   10.074      ?      ? 
1 1 1   -6   26    2 o   64.555   21.243   11.065   8.5824   0.0000   0.0000   11.065   8.5824  ?   ?    64.555   21.243      ?      ? 
1 1 1   -6   26    4 o  406.089   10.060  447.853   22.076   0.0000   0.0000  447.853   22.076  ?   ?   406.089   10.060      ?      ? 
1 1 1   -6   26    5 o  102.736   25.045   28.411   16.737   27.928   25.831   28.761   21.974  103.461   36.771  102.012   34.012 1.448875 50.08933 
1 1 1   -6   26    6 o  101.985   24.306   27.835   17.099   7.9977   26.846   41.374   22.179   85.468   35.443  118.502   33.271 -33.03465 48.61245 
1 1 1   -6   26    7 o  259.391   13.448  182.847   18.483  197.995   29.631  173.198   23.648  267.663   20.487  251.119   17.427 16.54478 26.89654 
1 1 1   -6   26    8 o  171.922   12.778   68.081   10.680   52.925   12.255  115.923   21.773  138.922   16.325  204.921   19.663 -65.99895 25.55662 
1 1 1   -6   26   10 f  170.399   9.6645   79.437   8.8781   73.022   12.525   85.915   12.586  163.402   14.185  177.395   13.130 -13.99304 19.32910 
1 1 1   -6   26   11 o  201.214   12.411  110.445   13.495   0.0000   0.0000  110.445   13.495  ?   ?   201.214   12.411      ?      ? 
1 1 1   -6   26   12 o   91.486   23.255   24.273   11.521   24.273   11.521   0.0000   0.0000   91.486   23.255  ?   ?       ?      ? 
1 1 1   -6   26   13 o   99.312   15.619   28.495   8.1745   25.732   11.476   31.340   11.647   94.218   22.790  104.407   21.364 -10.18851 31.23741 
1 1 1   -6   26   14 o  265.910   7.4200  192.559   10.648  181.729   15.072  203.353   15.047  258.384   10.795  273.436   10.183 -15.05197 14.84005 
1 1 1   -6   26   15 o  381.466   7.1773  396.074   14.784  386.460   21.143  405.273   20.680  376.874   10.382  386.057   9.9132 -9.183655 14.35467 
1 1 1   -6   26   16 o   73.085   16.772   14.000   7.8865   7.8623   11.049   20.375   11.260   62.125   23.694   84.046   23.745 -21.92111 33.54435 
1 1 1   -6   26   17 o   64.643   24.103   9.3146   11.289   9.3146   11.289   0.0000   0.0000   64.643   24.103  ?   ?       ?      ? 
1 1 1   -6   26   18 o   93.058   15.999   25.127   8.0443   19.676   11.142   31.062   11.626   82.498   23.725  103.618   21.470 -21.11968 31.99722 
1 1 1   -6   26   19 o  215.842   8.2174  125.728   9.5245  145.241   14.392  110.524   12.704  230.573   11.551  201.110   11.691 29.46278 16.43476 
1 1 1   -6   26   21 o  191.212   12.060  100.126   12.461   0.0000   0.0000  100.126   12.461  ?   ?   191.212   12.060      ?      ? 
1 1 1   -6   26   22 o  136.306   11.188   51.718   8.0706   39.251   11.211   65.129   11.628  118.796   17.464  153.816   13.990 -35.01951 22.37628 
1 1 1   -6   26   23 o  206.196   8.4299  116.614   9.3685  114.887   13.691  118.135   12.847  204.645   12.381  207.747   11.444 -3.101654 16.85978 
1 1 1   -6   26   24 o  156.546   10.148   68.075   8.5117   58.698   12.126   77.183   11.950  145.595   15.413  167.496   13.204 -21.90132 20.29540 
1 1 1   -6   26   25 f  203.878   8.3750  114.002   9.2196  115.972   13.345  112.202   12.752  205.515   12.017  202.240   11.669 3.275650 16.75009 
1 1 1   -6   26   26 o  142.591   10.817   56.445   8.3276   59.588   12.032   53.554   11.538  146.420   15.207  138.762   15.388 7.657837 21.63371 
1 1 1   -6   26   27 o   89.849   15.662   24.126   7.5929   27.492   10.730   20.751   10.746   96.348   21.187   83.349   23.073 12.99949 31.32476 
1 1 1   -6   26   28 o   64.920   16.554   10.471   7.5303   7.0814   10.402   14.204   10.915   58.764   22.837   71.077   23.971 -12.31377 33.10860 
1 1 1   -6   26   30 o  224.402   7.6553  138.922   9.2541  131.290   13.364  145.952   12.827  218.272   11.331  230.531   10.297 -12.25874 15.31051 
1 1 1   -6   26   31 o  183.457   12.243   93.268   12.137   0.0000   0.0000   93.268   12.137  ?   ?   183.457   12.243      ?      ? 
1 1 1   -6   26   32 o   65.152   17.428   9.9496   8.1548   7.8506   10.212   13.644   13.548   58.970   22.708   71.333   26.443 -12.36340 34.85505 
1 1 1   -6   26   33 o  117.823   14.709   37.279   8.7492   29.074   10.557   55.270   15.633   98.324   20.533  137.322   21.068 -38.99812 29.41897 
1 1 1   -6   26   34 o  143.216   11.631   60.614   8.5615   49.887   13.591   67.672   11.024  130.938   19.208  155.494   13.120 -24.55609 23.26125 
1 1 1   -6   26   35 o  158.577   9.6263   71.345   8.1675   64.041   11.969   77.711   11.173  150.380   14.729  166.774   12.398 -16.39389 19.25269 
1 1 1   -6   26   36 o   55.479   15.624   6.0946   7.1108   3.1023   10.731   8.4372   9.4946   52.642   22.160   58.316   22.030 -5.673836 31.24701 
1 1 1   -6   26   37 o   65.951   16.548   12.573   7.3943   12.348   10.629   12.783   10.293   65.694   23.562   66.208   23.243 -0.5138397 33.09691 
1 1 1   -6   26   38 o   91.223   14.989   26.106   7.3953   34.321   10.567   18.219   10.354  106.525   19.056   75.922   23.142 30.60299 29.97830 
1 1 1   -6   26   39 o   86.014   15.753   23.490   7.4281   27.525   10.735   19.783   10.289   93.390   21.688   78.639   22.852 14.75083 31.50529 
1 1 1   -6   26   40 o   87.364   15.387   24.280   7.2318   25.593   10.515   23.102   9.9621   89.556   21.909   85.173   21.610 4.382965 30.77337 
1 1 1   -6   26   41 o   48.718   14.694   1.6062   6.9366   5.5073   9.9439  -2.0914   9.6810   53.550   21.819   43.887   19.687 9.662556 29.38806 
1 1 1   -6   26   42 o   91.717   15.065   26.989   7.3181   25.891   10.688   27.957   10.041   89.297   22.235   94.138   20.333 -4.840141 30.13045 
1 1 1   -6   26   43 o   44.661   14.072  -1.2799   6.9458  -4.3107   10.033   1.5095   9.6252   42.083   19.328   47.238   20.459 -5.154495 28.14459 
1 1 1   -6   26   44 o   44.504   14.191  -2.0569   7.1896   0.4944   10.756  -4.1178   9.6666   47.831   21.144   41.177   18.934 6.654499 28.38234 
1 1 1   -6   26   45 o   80.447   16.747   22.714   7.7499   23.576   11.463   21.988   10.518   81.419   24.246   79.476   23.108 1.943581 33.49368 
1 1 1   -6   26   46 o   49.028   16.460  -7.0100   9.2794  -0.4554   20.196  -8.7640   10.447   59.119   27.251   38.936   18.468 20.18359 32.91976 
1 1 1   -6   26   47 o   57.401   17.755   4.2051   10.852  -8.4009   18.769   10.536   13.301   52.888   24.987   61.914   25.232 -9.026615 35.51085 
1 1 1   -6   26   48 o   85.574   20.446   29.096   10.870   46.914   18.916   20.311   13.283  100.340   31.400   70.809   26.195 29.53028 40.89171 
1 1 1   -6   26   49 o   73.428   16.992   18.636   8.6313   6.8163   11.388   34.595   13.232   52.792   22.549   94.063   25.426 -41.27113 33.98404 
1 1 1   -6   26   50 o   59.208   15.489   10.532   7.2999   20.576   10.539   1.2697   10.121   73.319   23.498   45.097   20.186 28.22250 30.97827 
1 1 1   -6   26   51 o   42.767   13.800  -0.3493   7.1685  -4.1843   10.145   3.4752   10.131   39.327   18.516   46.206   20.469 -6.879681 27.60065 
1 1 1   -6   27    1 o   49.134   21.814  -3.5835   11.568   0.0000   0.0000  -3.5835   11.568  ?   ?    49.134   21.814      ?      ? 
1 1 1   -6   27    3 o  269.138   7.4303  194.470   9.9025  203.694   18.272  190.634   11.783  273.227   12.376  265.048   8.2270 8.179108 14.86065 
1 1 1   -6   27    4 o  185.561   8.2708   93.355   8.0031   95.766   13.249   91.971   10.042  187.230   13.096  183.892   10.106 3.337952 16.54161 
1 1 1   -6   27    5 o  362.767   7.4282  368.427   13.363  331.306   23.626  385.890   16.204  348.389   12.550  377.145   7.9512 -28.75607 14.85642 
1 1 1   -6   27    6 o  216.063   8.0422  126.799   9.3744  118.914   12.848  135.778   13.709  208.900   11.381  223.225   11.365 -14.32491 16.08432 
1 1 1   -6   27    7 o  107.468   14.350   33.029   8.0882   38.816   11.281   26.907   11.603  118.635   17.597   96.302   22.673 22.33377 28.70013 
1 1 1   -6   27    8 o   61.157   16.799   6.7755   8.0426   9.5301   11.147   3.7844   11.616   64.844   23.995   57.471   23.518 7.373234 33.59892 
1 1 1   -6   27    9 o  283.901   10.485  219.459   16.086   0.0000   0.0000  219.459   16.086  ?   ?   283.901   10.485      ?      ? 
1 1 1   -6   27   11 o   81.176   14.692   14.774   7.6750   0.0555   9.9113   36.820   12.130   49.021   20.990  113.331   20.564 -64.31023 29.38459 
1 1 1   -6   27   12 o  371.572   10.228  376.132   20.536   0.0000   0.0000  376.132   20.536  ?   ?   371.572   10.228      ?      ? 
1 1 1   -6   27   13 o  131.071   12.588   49.998   8.2896   62.852   11.373   35.428   12.108  151.305   13.910  110.838   20.985 40.46710 25.17661 
1 1 1   -6   27   14 o  210.666   11.883  121.385   13.527   0.0000   0.0000  121.385   13.527  ?   ?   210.666   11.883      ?      ? 
1 1 1   -6   27   15 o  218.748   8.2912  131.127   9.7827  124.142   13.979  137.832   13.695  212.929   12.149  224.567   11.286 -11.63786 16.58237 
1 1 1   -6   27   16 o  238.828   11.055  155.875   14.267   0.0000   0.0000  155.875   14.267  ?   ?   238.828   11.055      ?      ? 
1 1 1   -6   27   17 o  109.764   14.251   34.811   8.1672   27.262   11.609   42.209   11.492   96.289   22.685  123.239   17.257 -26.95023 28.50269 
1 1 1   -6   27   18 o   99.698   15.397   29.149   8.0778   25.104   11.386   33.248   11.462   92.281   22.933  107.114   20.551 -14.83276 30.79366 
1 1 1   -6   27   19 o  164.880   9.6404   74.877   8.5663   81.970   12.223   68.029   12.009  172.676   13.099  157.084   14.148 15.59271 19.28089 
1 1 1   -6   27   20 o   66.396   14.475   6.0880   7.7575   25.832   11.016 -13.3380   10.926   93.616   22.126   39.176   18.669 54.43950 28.94947 
1 1 1   -6   27   21 o   56.537   15.357   2.9796   7.4405   13.848   10.690  -7.2328   10.362   70.767   23.724   42.307   19.508 28.45986 30.71443 
1 1 1   -6   27   22 o   64.857   16.302   10.584   7.3642   6.3275   10.633   14.508   10.209   58.264   22.958   71.451   23.151 -13.18623 32.60472 
1 1 1   -6   27   23 o  150.299   10.153   62.460   8.2101   54.854   11.277   71.040   11.977  140.457   14.857  160.142   13.840 -19.68436 20.30515 
1 1 1   -6   27   24 o   71.483   16.538   14.469   7.5291   18.342   10.395   10.194   10.920   78.604   23.006   64.362   23.764 14.24180 33.07502 
1 1 1   -6   27   25 o   56.556   15.426   2.0502   7.6425  -9.2089   10.472   14.881   11.179   40.731   19.060   72.381   24.260 -31.65018 30.85169 
1 1 1   -6   27   26 o  165.157   9.4928   75.896   8.4446   80.046   11.718   71.411   12.180  170.080   12.750  160.234   14.067 9.846359 18.98568 
1 1 1   -6   27   27 o  182.984   9.0085   92.184   8.8777  101.717   13.194   84.296   12.001  191.570   12.745  174.399   12.735 17.17157 18.01702 
1 1 1   -6   27   28 o   75.721   14.304   14.876   7.5592   32.440   10.682  -2.7423   10.699  104.728   19.596   46.713   20.843 58.01544 28.60851 
1 1 1   -6   27   29 o  137.993   10.617   53.649   7.9057   55.143   11.004   52.055   11.366  140.157   14.529  135.829   15.485 4.327713 21.23419 
1 1 1   -6   27   30 o   98.819   14.086   28.907   7.4104   17.181   10.109   42.528   10.895   75.307   22.847  122.332   16.482 -47.02518 28.17149 
1 1 1   -6   27   31 o   80.735   17.656   18.612   8.1036   14.831   9.8496   26.532   14.256   70.439   22.731   91.031   27.023 -20.59171 35.31249 
1 1 1   -6   27   32 o   54.158   15.761  -4.2144   8.1961 -15.9338   10.357   15.423   13.407   35.391   17.190   72.926   26.422 -37.53476 31.52122 
1 1 1   -6   27   33 o   97.291   15.766   30.671   8.3829   19.617   13.043   38.451   10.942   79.218   26.194  115.364   17.553 -36.14568 31.53144 
1 1 1   -6   27   34 o   86.510   15.786   23.418   7.4292   23.682   10.571   23.159   10.443   86.977   22.367   86.043   22.283 0.9338303 31.57229 
1 1 1   -6   27   35 o  143.816   10.584   59.407   8.1133   48.329   11.390   70.818   11.560  129.406   16.288  158.226   13.520 -28.81973 21.16869 
1 1 1   -6   27   36 o  139.199   10.677   55.942   7.9387   46.810   11.235   65.049   11.219  127.069   16.362  151.328   13.720 -24.25897 21.35301 
1 1 1   -6   27   37 o  171.793   9.0428   83.944   8.3400   74.388   11.904   93.158   11.688  161.609   13.631  181.977   11.886 -20.36781 18.08563 
1 1 1   -6   27   38 o   66.253   16.373   13.217   7.2700   15.761   10.411   10.796   10.156   70.648   23.405   61.858   22.901 8.790161 32.74530 
1 1 1   -6   27   39 o  116.951   12.925   41.454   7.8351   33.968   11.164   48.719   10.999  104.383   20.524  129.520   15.715 -25.13691 25.84976 
1 1 1   -6   27   40 o   74.850   15.457   17.374   7.5144   5.9770   10.566   29.040   10.689   54.540   22.387   95.159   21.317 -40.61938 30.91303 
1 1 1   -6   27   41 o  123.202   11.906   45.160   7.8827   39.842   11.071   50.627   11.226  115.187   17.787  131.218   15.832 -16.03033 23.81273 
1 1 1   -6   27   42 o   69.239   16.197   15.395   7.5600   22.967   10.658   7.7269   10.725   82.224   23.056   56.253   22.756 25.97075 32.39460 
1 1 1   -6   27   43 o   61.299   15.864   10.294   7.6479   0.5448   10.863   19.878   10.770   47.358   21.076   75.240   23.716 -27.88223 31.72739 
1 1 1   -6   27   44 f  117.993   19.880   54.441   12.657   41.329   21.904   61.014   15.508   97.566   33.926  138.420   20.733 -40.85381 39.75934 
1 1 1   -6   27   45 o  103.325   20.670   42.553   12.160   35.743   21.377   45.811   14.785   91.270   33.318  115.379   24.473 -24.10919 41.34008 
1 1 1   -6   27   46 o   67.705   17.614   15.173   11.384 -18.5968   19.634   32.275   13.972   46.516   22.822   88.893   26.836 -42.37721 35.22872 
1 1 1   -6   27   47 o   41.750   13.766  -3.7973   7.6395  -6.1150   11.234  -1.8036   10.420   40.770   19.283   42.731   19.651 -1.960892 27.53207 
1 1 1   -6   27   48 o   78.296   16.716   23.331   7.7170   20.988   11.083   25.536   10.751   73.785   24.134   82.806   23.135 -9.020821 33.43148 
1 1 1   -6   27   49 f  206.697   8.3440  127.112   9.3065  132.417   13.608  122.450   12.756  210.468   11.965  202.927   11.633 7.540375 16.68806 
1 1 1   -6   28    1 o  158.686   9.8522   68.624   8.4481   0.0000   0.0000   68.624   8.4481  ?   ?   158.686   9.8522      ?      ? 
1 1 1   -6   28    2 o  207.104   8.2720  116.595   9.2573   0.0000   0.0000  116.595   9.2573  ?   ?   207.104   8.2720      ?      ? 
1 1 1   -6   28    3 o  148.652   10.665   60.314   8.5667   0.0000   0.0000   60.314   8.5667  ?   ?   148.652   10.665      ?      ? 
1 1 1   -6   28    4 o  270.391   7.4588  202.831   10.151  190.158   17.670  209.074   12.402  263.464   12.411  277.318   8.2759 -13.85474 14.91760 
1 1 1   -6   28    5 o   83.169   15.120   19.461   6.7912   25.180   10.690   15.591   8.7936   92.810   21.704   73.529   21.057 19.28065 30.23988 
1 1 1   -6   28    6 o  154.363   10.678   65.712   8.8908   71.081   12.724   60.591   12.428  160.613   14.661  148.113   15.528 12.50009 21.35560 
1 1 1   -6   28    7 o   95.829   15.373   26.771   8.0707   35.153   11.329   18.134   11.500  112.251   18.678   79.407   24.422 32.84406 30.74605 
1 1 1   -6   28    8 o  217.320   8.2855  129.296   9.7247  134.155   13.760  124.448   13.746  221.452   11.499  213.189   11.932 8.263519 16.57091 
1 1 1   -6   28    9 o  109.103   13.664   34.004   7.8193   35.864   10.635   31.817   11.536  113.595   17.326  104.611   21.134 8.983856 27.32866 
1 1 1   -6   28   10 o   55.503   15.808   4.0086   7.3289   1.0606   9.8895   7.6002   10.916   49.977   21.168   61.028   23.484 -11.05083 31.61626 
1 1 1   -6   28   11 o  151.445   10.927   63.530   8.5783   42.054   11.648   88.982   12.681  122.913   17.538  179.977   13.039 -57.06494 21.85366 
1 1 1   -6   28   12 o  137.365   11.700   52.416   8.4869   38.891   11.638   67.780   12.403  118.020   18.248  156.710   14.647 -38.68925 23.39962 
1 1 1   -6   28   13 o  240.326   7.8041  158.060   10.131  154.064   14.397  161.980   14.258  237.263   11.229  243.389   10.841 -6.125336 15.60828 
1 1 1   -6   28   14 o  216.516   8.0492  128.215   9.4096  124.110   12.988  132.750   13.651  212.898   11.290  220.135   11.476 -7.236816 16.09841 
1 1 1   -6   28   15 o   82.949   16.454   19.906   8.0634   28.469   11.507   11.644   11.303   98.241   22.199   67.657   24.294 30.58428 32.90841 
1 1 1   -6   28   16 o   50.400   15.261   0.5077   7.4084   0.7760   10.301   0.2202   10.662   50.330   21.470   50.470   21.695 -0.1401825 30.52266 
1 1 1   -6   28   17 o   73.971   15.572   13.469   7.9014   28.072   11.378  -0.1341   10.981   97.264   22.145   50.677   21.900 46.58762 31.14471 
1 1 1   -6   28   18 o  213.517   11.423  125.273   13.180   0.0000   0.0000  125.273   13.180  ?   ?   213.517   11.423      ?      ? 
1 1 1   -6   28   19 o   55.955   16.047   4.2887   7.7011   7.9022   10.724   0.4410   11.066   60.555   23.283   51.355   22.089 9.200459 32.09409 
1 1 1   -6   28   20 o   93.680   14.804   25.950   7.8886   11.693   11.036   40.847   11.281   66.896   24.007  120.465   17.330 -53.56867 29.60800 
1 1 1   -6   28   21 o  118.694   13.093   40.388   8.1450   46.866   11.752   34.400   11.299  129.097   16.847  108.291   20.047 20.80626 26.18573 
1 1 1   -6   28   22 o   89.979   15.972   24.723   7.8845   30.103   10.831   18.657   11.500  100.841   20.573   79.116   24.438 21.72603 31.94437 
1 1 1   -6   28   23 o  241.714   7.6291  160.874   9.9545  152.839   14.094  168.873   14.062  235.571   11.072  247.857   10.499 -12.28615 15.25826 
1 1 1   -6   28   24 o   93.680   15.673   26.447   7.8318   30.826   11.428   22.569   10.755  101.259   21.547   86.100   22.767 15.15870 31.34695 
1 1 1   -6   28   25 o   76.622   16.904   17.636   7.7746   19.792   11.260   15.672   10.748   80.463   24.046   72.782   23.764 7.680656 33.80746 
1 1 1   -6   28   26 o  180.018   8.8931   90.139   8.6504   91.426   12.284   88.873   12.184  181.308   12.538  178.727   12.615 2.580658 17.78625 
1 1 1   -6   28   27 o  188.140   8.9605   98.611   9.0902   90.357   12.709  107.255   13.007  179.897   13.074  196.383   12.257 -16.48573 17.92108 
1 1 1   -6   28   28 o  185.416   9.2553   95.269   9.2165  111.105   13.775   82.434   12.401  199.374   12.786  171.459   13.385 27.91473 18.51052 
1 1 1   -6   28   29 o  148.102   10.399   62.112   8.2538   72.584   11.893   52.382   11.464  160.595   13.705  135.609   15.645 24.98582 20.79840 
1 1 1   -6   28   30 o   85.475   17.224   18.106   8.5317   8.2196   10.269   40.135   15.329   58.999   22.757  111.952   25.861 -52.95372 34.44801 
1 1 1   -6   28   31 o  111.835   15.693   39.916   8.8350   44.022   11.068   32.703   14.669  123.670   16.562  100.000   26.660 23.66944 31.38518 
1 1 1   -6   28   32 o   75.552   17.807   17.833   8.4543   18.694   12.959   17.196   11.155   76.940   26.119   74.164   24.210 2.775703 35.61309 
1 1 1   -6   28   33 o  215.161   11.494  129.534   13.363   0.0000   0.0000  129.534   13.363  ?   ?   215.161   11.494      ?      ? 
1 1 1   -6   28   34 o  129.556   11.655   49.231   7.9956   38.389   11.222   60.407   11.395  113.904   18.233  145.208   14.522 -31.30389 23.30918 
1 1 1   -6   28   35 o   55.066   14.719   1.2505   7.4866 -14.3699   10.470   17.590   10.709   36.122   17.483   74.009   23.683 -37.88726 29.43705 
1 1 1   -6   28   36 o  113.185   13.989   40.298   8.0319   24.585   11.332   56.160   11.386   86.854   23.552  139.516   15.102 -52.66235 27.97803 
1 1 1   -6   28   37 o   61.985   16.167   9.4903   7.6739   18.097   11.135   1.7042   10.591   74.401   24.183   49.570   21.464 24.83180 32.33458 
1 1 1   -6   28   38 o  124.581   12.937   48.087   8.1926   36.020   11.757   59.479   11.423  106.161   21.236  143.001   14.783 -36.83976 25.87416 
1 1 1   -6   28   39 o   81.150   16.578   21.859   7.8416   27.936   11.393   16.390   10.809   91.675   23.029   70.624   23.855 21.05167 33.15657 
1 1 1   -6   28   40 f   65.478   16.050   13.258   7.5100   5.1722   10.620   21.347   10.622   52.404   22.051   78.553   23.327 -26.14927 32.10002 
1 1 1   -6   28   41 o  113.869   19.124   36.511   10.005   75.000   22.300   26.812   11.194  139.666   30.410   88.073   23.199 51.59295 38.24869 
1 1 1   -6   28   42 f   66.969   19.483   12.712   12.017  -0.0785   20.192   19.725   14.952   59.507   27.363   74.431   27.742 -14.92376 38.96605 
1 1 1   -6   28   43 o   46.164   15.681 -15.3077   11.729 -33.2432   19.468  -5.0878   14.696   43.263   21.498   49.065   22.833 -5.802174 31.36105 
1 1 1   -6   28   44 o   70.980   17.199   19.607   9.5243   31.610   12.516   3.0923   14.681   89.851   24.911   52.108   23.722 37.74304 34.39872 
1 1 1   -6   28   45 o   65.723   15.527   12.942   7.8427   28.598   11.404  -1.1085   10.803   87.342   23.602   44.104   20.182 43.23860 31.05402 
1 1 1   -6   28   46 o  122.218   13.569   50.579   8.3472   36.485   12.001   63.788   11.618  100.333   22.669  144.104   14.920 -43.77055 27.13829 
1 1 1   -6   28   47 o   49.830   15.261   5.8805   7.6695   2.3810   10.858   9.3652   10.835   46.015   20.728   53.645   22.404 -7.629738 30.52144 
1 1 1   -6   29    1 o   96.886   15.045   25.986   7.8766   0.0000   0.0000   25.986   7.8766  ?   ?    96.886   15.045      ?      ? 
1 1 1   -6   29    2 o  239.496   8.9728  156.334   11.612   0.0000   0.0000  156.334   11.612  ?   ?   239.496   8.9728      ?      ? 
1 1 1   -6   29    3 o   53.708   19.890   6.5773   7.6621   0.0000   0.0000   6.5773   7.6621  ?   ?    53.708   19.890      ?      ? 
1 1 1   -6   29    4 o  119.800   11.585   42.364   6.8899   32.140   10.738   49.520   8.9832  105.352   19.582  134.247   12.383 -28.89454 23.16911 
1 1 1   -6   29    5 o  103.641   13.587   30.660   6.9114   30.946   12.302   30.528   8.3545  102.254   22.841  105.028   14.721 -2.773766 27.17360 
1 1 1   -6   29    6 o   53.175   14.045   3.1856   6.7398 -15.1667   11.519   12.739   8.3108   39.419   18.889   66.930   20.791 -27.51096 28.09003 
1 1 1   -6   29    7 o   73.379   15.970   15.237   7.4398   22.178   10.161   7.2156   10.923   86.609   21.744   60.149   23.395 26.45951 31.93920 
1 1 1   -6   29    8 o  115.465   13.381   39.200   7.8757   49.046   10.899   28.441   11.393  132.907   15.176   98.023   22.044 34.88359 26.76281 
1 1 1   -6   29    9 o   66.673   16.364   11.124   7.3173   6.8808   9.7584   16.575   11.060   57.622   22.196   75.723   24.051 -18.10143 32.72744 
1 1 1   -6   29   10 o  143.168   11.600   59.010   8.5224   79.431   12.045   38.536   12.060  169.601   13.142  116.735   19.119 52.86658 23.20071 
1 1 1   -6   29   11 o  125.649   12.190   44.448   8.1707   35.983   11.379   53.458   11.740  112.855   18.659  138.444   15.693 -25.58881 24.38079 
1 1 1   -6   29   12 o   74.359   16.896   15.945   7.6718   15.562   10.326   16.416   11.462   73.304   23.234   75.415   24.537 -2.111397 33.79185 
1 1 1   -6   29   13 o   65.685   16.609   10.729   7.4798   7.6516   9.9304   14.765   11.372   58.945   22.467   72.426   24.467 -13.48157 33.21732 
1 1 1   -6   29   14 o   74.950   17.149   16.269   7.9176   15.798   10.942   16.786   11.471   73.936   23.969   75.964   24.533 -2.028099 34.29823 
1 1 1   -6   29   15 o  179.841   8.8854   89.338   8.6340   90.156   12.317   88.549   12.106  180.633   12.619  179.049   12.512 1.583908 17.77085 
1 1 1   -6   29   16 o  145.867   11.379   59.857   8.7123   78.939   12.707   42.932   11.968  168.552   13.952  123.182   17.980 45.36921 22.75802 
1 1 1   -6   29   17 o   66.288   16.162   10.890   7.4503   4.0255   10.301   18.419   10.788   54.051   22.137   78.525   23.553 -24.47432 32.32310 
1 1 1   -6   29   18 o   55.944   15.682   4.4491   7.5231   10.968   10.276  -3.0806   11.044   64.550   23.165   47.337   21.145 17.21318 31.36499 
1 1 1   -6   29   19 o   62.773   16.827   9.2118   7.9144   11.655   11.130   6.7124   11.256   66.410   24.072   59.137   23.520 7.272884 33.65490 
1 1 1   -6   29   20 o  147.670   10.489   61.220   8.3685   61.244   11.945   61.196   11.727  147.647   14.972  147.692   14.695 -0.4502869E-01 20.97833 
1 1 1   -6   29   21 o  172.989   9.1115   83.122   8.4891   74.219   11.721   92.945   12.312  163.102   13.299  182.876   12.459 -19.77345 18.22305 
1 1 1   -6   29   22 o   51.272   14.835  -0.2031   7.3237   10.702   10.469 -10.6549   10.249   63.802   23.313   38.741   18.352 25.06081 29.66903 
1 1 1   -6   29   23 o  170.814   13.269   81.550   12.248   0.0000   0.0000   81.550   12.248  ?   ?   170.814   13.269      ?      ? 
1 1 1   -6   29   24 o  153.130   14.723   66.235   12.183   0.0000   0.0000   66.235   12.183  ?   ?   153.130   14.723      ?      ? 
1 1 1   -6   29   25 o  120.106   12.838   42.323   8.0646   48.937   11.510   35.944   11.303  130.819   16.282  109.393   19.852 21.42606 25.67549 
1 1 1   -6   29   27 o   48.387   14.954  -0.5146   7.5228   2.8350   10.266  -4.3996   11.056   51.416   21.660   45.358   20.625 6.057930 29.90896 
1 1 1   -6   29   28 o  152.269   14.799   66.008   12.177   66.008   12.177   0.0000   0.0000  152.269   14.799  ?   ?       ?      ? 
1 1 1   -6   29   29 f   74.639   17.661   17.662   8.3702   19.530   10.459   14.336   13.959   78.511   23.105   70.766   26.717 7.744736 35.32194 
1 1 1   -6   29   30 o  146.207   12.737   59.640   9.7526   50.319   12.101   76.914   16.474  131.370   17.046  161.045   18.931 -29.67537 25.47459 
1 1 1   -6   29   31 o  105.358   14.963   34.653   8.1917   34.865   12.175   34.478   11.073  104.991   22.155  105.724   20.118 -0.7327652 29.92636 
1 1 1   -6   29   32 o  130.142   13.226   51.949   8.6430   35.698   12.198   68.332   12.248  106.156   21.988  154.128   14.706 -47.97179 26.45294 
1 1 1   -6   29   33 o  236.720   8.0795  157.600   10.273  137.278   14.423  178.526   14.636  220.664   12.096  252.777   10.715 -32.11279 16.15909 
1 1 1   -6   29   34 o  111.209   18.397   36.975   11.056   36.975   11.056   0.0000   0.0000  111.209   18.397  ?   ?       ?      ? 
1 1 1   -6   29   35 o   59.776   16.191   9.1126   7.5511   4.0522   10.514   14.504   10.852   51.918   21.899   67.634   23.855 -15.71637 32.38248 
1 1 1   -6   29   36 o  127.518   12.538   49.555   8.1100   35.400   11.282   64.689   11.666  105.721   20.489  149.315   14.458 -43.59396 25.07675 
1 1 1   -6   29   37 o   84.560   16.494   24.416   7.7952   25.647   10.790   23.072   11.275   87.294   22.671   81.826   23.963 5.468163 32.98767 
1 1 1   -6   29   38 o   63.459   16.741   13.021   7.7834   15.364   10.743   10.431   11.293   67.189   23.731   59.730   23.621 7.459492 33.48254 
1 1 1   -6   29   39 f   97.814   20.815   38.386   12.143   31.802   20.473   41.959   15.081   87.155   32.466  108.473   26.056 -21.31780 41.62909 
1 1 1   -6   29   40 o  157.725   15.812   78.252   13.251   97.545   21.186   65.856   16.982  172.772   22.693  142.677   22.027 30.09486 31.62487 
1 1 1   -6   29   41 o  141.394   18.160   73.173   12.973   59.955   20.183   82.477   16.934  122.115   30.638  160.673   19.504 -38.55767 36.31920 
1 1 1   -6   29   42 f   54.072   15.699   7.1891   7.8796  -1.3916   10.919   16.514   11.383   43.402   20.017   64.741   24.190 -21.33931 31.39826 
1 1 1   -6   29   43 o  150.383   10.332   68.603   8.3905   66.544   11.613   70.852   12.136  148.143   14.508  152.624   14.715 -4.480881 20.66380 
1 1 1   -6   29   44 o   53.377   15.170   4.7451   7.6867  -7.5923   10.598   18.440   11.166   38.376   18.315   68.377   24.189 -30.00071 30.34029 
1 1 1   -6   29   45 o   97.179   15.266   35.654   8.1094   25.611   11.577   45.331   11.363   78.290   24.574  116.068   18.117 -37.77817 30.53107 
1 1 1   -6   30    1 o  227.255   8.3137  140.910   10.209   0.0000   0.0000  140.910   10.209  ?   ?   227.255   8.3137      ?      ? 
1 1 1   -6   30    2 o   96.201   15.534   25.865   8.0753   0.0000   0.0000   25.865   8.0753  ?   ?    96.201   15.534      ?      ? 
1 1 1   -6   30    3 o  170.440   9.6769   79.539   8.9124   0.0000   0.0000   79.539   8.9124  ?   ?   170.440   9.6769      ?      ? 
1 1 1   -6   30    4 o   30.893   14.827  -9.8563   7.1611   0.0000   0.0000  -9.8563   7.1611  ?   ?    30.893   14.827      ?      ? 
1 1 1   -6   30    5 o  201.265   8.0293  111.261   8.3475  112.252   14.053  110.720   10.377  201.417   12.911  201.113   9.5484 0.3043365 16.05858 
1 1 1   -6   30    6 o  212.518   7.9417  125.913   8.5226  119.460   14.776  129.130   10.433  207.665   13.168  217.371   8.8819 -9.706146 15.88346 
1 1 1   -6   30    7 o  357.820   7.7522  349.983   14.139  358.333   24.562  345.844   17.291  359.978   12.627  355.663   8.9968 4.314606 15.50445 
1 1 1   -6   30    8 o  104.978   14.375   32.299   7.8442   28.865   10.667   36.343   11.575   98.661   20.670  111.295   19.981 -12.63375 28.74915 
1 1 1   -6   30    9 o  114.802   13.658   38.104   7.9376   22.545   10.676   57.341   11.870   86.465   22.597  143.140   15.347 -56.67522 27.31589 
1 1 1   -6   30   10 o  181.186   13.410   91.179   13.130   0.0000   0.0000   91.179   13.130  ?   ?   181.186   13.410      ?      ? 
1 1 1   -6   30   11 o  276.027   10.523  209.509   15.695   0.0000   0.0000  209.509   15.695  ?   ?   276.027   10.523      ?      ? 
1 1 1   -6   30   12 o  184.441   8.9652   94.956   8.8734  104.616   12.341   84.618   12.767  194.557   11.739  174.326   13.554 20.23061 17.93039 
1 1 1   -6   30   13 o  181.995   9.0890   92.295   8.9123   98.084   12.440   86.191   12.774  188.110   12.238  175.879   13.441 12.23093 18.17802 
1 1 1   -6   30   14 o  116.807   13.033   38.677   7.9508   31.806   10.455   48.100   12.244  103.682   19.374  129.931   17.439 -26.24940 26.06622 
1 1 1   -6   30   15 o  262.524   10.564  190.029   14.985   0.0000   0.0000  190.029   14.985  ?   ?   262.524   10.564      ?      ? 
1 1 1   -6   30   16 o  142.878   11.007   58.425   8.3677   65.640   11.432   50.099   12.281  153.167   13.812  132.589   17.141 20.57869 22.01360 
1 1 1   -6   30   17 o   43.824   13.810  -8.6612   7.5350   4.7593   10.304 -24.0850   11.047   54.524   22.213   33.124   16.414 21.39967 27.61938 
1 1 1   -6   30   18 o   57.221   16.019   5.9082   7.5709   10.668   10.670   1.0827   10.744   63.797   23.501   50.646   21.774 13.15161 32.03769 
1 1 1   -6   30   19 o  183.123   12.970   93.778   12.834   0.0000   0.0000   93.778   12.834  ?   ?   183.123   12.970      ?      ? 
1 1 1   -6   30   20 o  184.943   8.7508   95.448   8.7340   89.048   12.206  102.162   12.503  178.456   12.657  191.430   12.087 -12.97409 17.50154 
1 1 1   -6   30   21 o  177.605   9.3531   87.509   8.8653   70.260   11.922  108.841   13.259  157.866   13.976  197.344   12.433 -39.47787 18.70619 
1 1 1   -6   30   22 o   83.212   14.143   20.249   7.6991   37.695   10.819   2.3531   10.958  114.234   17.527   52.190   22.201 62.04457 28.28602 
1 1 1   -6   30   23 o  203.458   8.6249  115.360   9.4654  106.605   13.018  125.182   13.788  195.211   12.341  211.704   12.053 -16.49330 17.24979 
1 1 1   -6   30   24 o   57.323   15.447   5.2589   7.3205  -3.6094   10.028   15.379   10.712   43.632   19.762   71.013   23.748 -27.38089 30.89491 
1 1 1   -6   30   25 o  132.355   11.676   50.888   8.3039   54.802   11.510   46.640   11.991  138.249   15.408  126.461   17.548 11.78841 23.35240 
1 1 1   -6   30   26 o   69.355   15.694   13.042   7.7948   25.171   10.890   0.2991   11.162   88.980   22.604   49.730   21.777 39.24998 31.38716 
1 1 1   -6   30   27 o   78.355   16.716   19.020   7.8130   13.361   10.410   26.320   11.823   66.668   23.376   90.042   23.901 -23.37398 33.43233 
1 1 1   -6   30   28 o  150.096   10.685   63.176   8.5202   49.916   11.133   81.922   13.237  131.230   15.700  168.963   14.498 -37.73314 21.37015 
1 1 1   -6   30   29 o   59.162   17.221   5.7077   8.3968   2.3111   10.196   12.867   14.803   49.827   21.311   68.497   27.057 -18.66967 34.44191 
1 1 1   -6   30   30 o   39.607   13.302 -11.1053   7.7841  -6.9414   10.878 -15.4754   11.144   42.176   19.633   37.038   17.953 5.137527 26.60397 
1 1 1   -6   30   31 o   85.312   16.832   22.730   8.6735   37.297   13.131   11.456   11.552  107.012   23.364   63.613   24.235 43.39837 33.66322 
1 1 1   -6   30   32 o  171.461   9.7609   84.226   9.0184   77.524   12.238   92.191   13.341  164.037   13.807  178.886   13.801 -14.84904 19.52185 
1 1 1   -6   30   33 o   68.272   15.635   13.484   7.8852   25.405   10.716  -0.5919   11.645   87.845   22.481   48.698   21.736 39.14665 31.27072 
1 1 1   -6   30   34 o  238.917   10.938  161.470   14.121   0.0000   0.0000  161.470   14.121  ?   ?   238.917   10.938      ?      ? 
1 1 1   -6   30   35 f   49.821   15.117  -0.2667   8.0135 -11.4141   11.242   11.250   11.426   38.639   18.553   61.002   23.872 -22.36310 30.23384 
1 1 1   -6   30   36 o   76.288   21.468   21.297   12.973   25.450   21.029   18.745   16.483   79.851   32.017   72.725   28.608 7.125664 42.93588 
1 1 1   -6   30   37 o   66.014   20.023   7.3965   12.712   23.401   20.673  -2.3333   16.119   78.662   31.673   53.366   24.505 25.29641 40.04578 
1 1 1   -6   30   38 o   82.480   21.094   25.753   11.835   33.491   19.100   20.930   15.079   89.616   31.643   75.345   27.903 14.27146 42.18861 
1 1 1   -6   30   39 o   50.090   15.971   2.6587   9.0187   4.7053   11.183  -1.1480   15.252   50.234   21.902   49.947   23.250 0.2865677 31.94131 
1 1 1   -6   30   40 o  130.122   12.839   56.077   8.5454   44.239   12.222   67.400   11.953  112.595   20.855  147.650   14.981 -35.05528 25.67842 
1 1 1   -6   30   41 o   62.579   17.015   13.905   8.1181   15.513   11.573   12.348   11.390   64.892   24.363   60.266   23.757 4.626289 34.02906 
1 1 1   -6   30   42 f   95.313   15.458   33.556   8.2075   22.619   11.261   45.947   11.987   74.358   24.328  116.269   19.079 -41.91125 30.91644 
1 1 1   -6   31    1 f  101.939   14.598   29.182   8.0414   0.0000   0.0000   29.182   8.0414  ?   ?   101.939   14.598      ?      ? 
1 1 1   -6   31    2 o   85.326   17.692   21.470   7.8895   0.0000   0.0000   21.470   7.8895  ?   ?    85.326   17.692      ?      ? 
1 1 1   -6   31    3 o   44.019   18.496   1.5201   7.4541   0.0000   0.0000   1.5201   7.4541  ?   ?    44.019   18.496      ?      ? 
1 1 1   -6   31    4 o  125.153   11.717   43.398   7.9242   0.0000   0.0000   43.398   7.9242  ?   ?   125.153   11.717      ?      ? 
1 1 1   -6   31    5 o   55.490   19.767   8.0380   7.4689   0.0000   0.0000   8.0380   7.4689  ?   ?    55.490   19.767      ?      ? 
1 1 1   -6   31    6 o  109.039   12.665   37.043   6.6931   26.284   10.871   43.612   8.4940   92.859   22.001  125.219   12.553 -32.35981 25.33081 
1 1 1   -6   31    7 o  135.187   10.430   52.790   7.2512   46.149   11.782   56.840   9.2001  127.224   17.137  143.150   11.894 -15.92632 20.86022 
1 1 1   -6   31    8 o  192.029   8.5036   97.310   8.2040  116.329   15.133   89.394   9.7632  203.875   13.737  180.183   10.027 23.69183 17.00716 
1 1 1   -6   31    9 o   93.285   14.670   25.714   7.8020   11.524   10.659   42.094   11.451   65.270   23.572  121.300   17.471 -56.03049 29.34051 
1 1 1   -6   31   10 o   79.630   15.653   19.869   7.6306   28.341   10.140   8.8086   11.587   97.198   19.974   62.061   24.107 35.13635 31.30679 
1 1 1   -6   31   11 o   80.217   17.166   19.905   8.0622   20.029   10.929   19.756   11.941   80.506   23.598   79.929   24.937 0.5774689 34.33224 
1 1 1   -6   31   12 o  208.313   8.4450  119.583   9.4544  104.591   12.727  138.044   14.123  193.776   12.155  222.850   11.728 -29.07352 16.89004 
1 1 1   -6   31   13 o  145.523   11.043   60.711   8.6016   66.813   11.853   53.923   12.502  153.919   14.252  137.127   16.872 16.79230 22.08525 
1 1 1   -6   31   14 o  186.988   9.0810   96.315   9.0915   81.095   12.073  116.253   13.818  170.046   13.139  203.929   12.539 -33.88377 18.16204 
1 1 1   -6   31   15 o  156.004   10.224   68.554   8.5965   62.270   11.795   75.675   12.555  148.279   14.721  163.729   14.191 -15.45020 20.44712 
1 1 1   -6   31   16 o   53.527   15.311   1.6044   7.3682  -6.4234   9.7519   12.284   11.248   40.583   18.787   66.471   24.183 -25.88838 30.62301 
1 1 1   -6   31   17 o  130.720   11.492   48.005   8.0379   40.959   10.575   57.646   12.370  119.524   16.373  141.916   16.130 -22.39233 22.98388 
1 1 1   -6   31   18 o  112.673   13.823   37.040   8.0551   26.564   10.667   50.940   12.288   92.552   21.704  132.793   17.124 -40.24103 27.64612 
1 1 1   -6   31   19 o   68.169   14.815   10.333   7.8467   27.312   10.881  -8.0638   11.326   93.572   21.906   42.766   19.950 50.80579 29.62904 
1 1 1   -6   31   20 o  167.344   9.8579   79.380   8.9033   84.801   12.749   74.221   12.439  173.091   13.631  161.596   14.245 11.49498 19.71582 
1 1 1   -6   31   21 o  101.225   14.638   31.813   7.7262   34.784   10.702   28.577   11.166  107.168   19.185   95.282   22.113 11.88525 29.27515 
1 1 1   -6   31   22 o  122.632   11.868   43.861   7.8378   45.149   10.775   42.413   11.422  124.973   15.955  120.292   17.573 4.681122 23.73509 
1 1 1   -6   31   23 o   65.965   15.831   11.148   7.4632   1.8504   10.154   22.072   11.007   49.344   21.190   82.585   23.526 -33.24120 31.66223 
1 1 1   -6   31   24 o  126.113   12.599   47.978   8.1784   57.734   11.469   37.885   11.665  141.535   14.996  110.690   20.249 30.84427 25.19760 
1 1 1   -6   31   25 o   73.234   15.711   15.930   8.0265   28.588   11.015   1.5968   11.721   94.743   21.946   51.726   22.489 43.01665 31.42253 
1 1 1   -6   31   26 o  129.316   12.774   51.166   8.3940   61.200   11.469   39.592   12.318  145.974   14.540  112.659   21.007 33.31529 25.54842 
1 1 1   -6   31   27 o   77.131   17.004   19.384   7.8799   16.924   10.893   22.084   11.413   72.500   23.936   81.761   24.157 -9.261246 34.00702 
1 1 1   -6   31   28 o   82.526   18.266   21.189   8.8877   14.873   11.011   32.995   15.055   68.400   24.039   96.653   27.509 -28.25282 36.53190 
1 1 1   -6   31   29 o   81.625   17.486   22.690   8.5848   27.793   11.975   17.294   12.313   90.908   24.018   72.341   25.421 18.56678 34.97226 
1 1 1   -6   31   30 o  154.235   11.444   71.296   9.3444   57.725   13.460   83.921   12.983  138.266   18.016  170.204   14.116 -31.93890 22.88723 
1 1 1   -6   31   31 o  106.863   15.538   37.860   8.6671   35.348   12.460   40.214   12.064  102.293   23.089  111.433   20.799 -9.140602 31.07627 
1 1 1   -6   31   32 o  141.309   12.011   60.780   9.0111   47.833   12.396   75.286   13.122  123.838   18.525  158.780   15.294 -34.94237 24.02207 
1 1 1   -6   31   33 o   74.512   22.095   17.885   14.514   29.257   24.045   11.367   18.204   83.057   33.896   65.967   28.351 17.09026 44.18962 
1 1 1   -6   31   34 o  129.065   18.732   52.990   14.632  117.838   23.980   14.525   18.469  188.620   23.527   69.510   29.156 119.1100 37.46441 
1 1 1   -6   31   35 o   55.599   17.879  -0.0938   11.942  -7.2342   18.128   5.3806   15.873   52.495   24.727   58.703   25.830 -6.207809 35.75767 
1 1 1   -6   31   36 o  108.424   18.005   45.657   10.172   47.523   12.357   41.734   17.916  120.622   18.958   96.226   30.616 24.39609 36.01035 
1 1 1   -6   31   37 o   61.681   16.945   14.376   8.1622   16.581   11.345   12.011   11.751   64.949   24.174   58.413   23.751 6.535526 33.88919 
1 1 1   -6   31   38 o   43.281   14.217  -3.4945   7.9968  -4.3843   11.146  -2.5507   11.480   42.278   19.745   44.284   20.459 -2.005459 28.43319 
1 1 1   -6   31   39 o   57.458   16.337   10.604   8.0629   4.5950   11.322   16.788   11.485   49.612   21.823   65.304   24.319 -15.69215 32.67490 
1 1 1   -6   31   40 o   42.704   14.023  -2.6983   7.8860   3.4694   11.360  -8.4344   10.956   47.576   21.335   37.832   18.204 9.744091 28.04559 
1 1 1   -6   32    1 o  145.503   10.696   58.661   8.4094   0.0000   0.0000   58.661   8.4094  ?   ?   145.503   10.696      ?      ? 
1 1 1   -6   32    2 o   53.325   19.799   7.0367   7.6017   0.0000   0.0000   7.0367   7.6017  ?   ?    53.325   19.799      ?      ? 
1 1 1   -6   32    3 o   99.650   14.579   28.103   7.8505   0.0000   0.0000   28.103   7.8505  ?   ?    99.650   14.579      ?      ? 
1 1 1   -6   32    4 o  166.576   9.6915   76.544   8.7235   0.0000   0.0000   76.544   8.7235  ?   ?   166.576   9.6915      ?      ? 
1 1 1   -6   32    5 o   90.898   16.458   24.276   7.7864   0.0000   0.0000   24.276   7.7864  ?   ?    90.898   16.458      ?      ? 
1 1 1   -6   32    6 o   58.371   20.418   9.4254   7.9398   0.0000   0.0000   9.4254   7.9398  ?   ?    58.371   20.418      ?      ? 
1 1 1   -6   32    7 o   70.582   14.170   15.725   6.8321  -0.4313   11.384   24.819   8.5413   49.913   21.921   91.251   17.962 -41.33813 28.33965 
1 1 1   -6   32    8 o   50.161   14.561   3.8286   6.2002   3.4842   10.007   4.0432   7.8992   51.780   21.569   48.542   19.567 3.237576 29.12196 
1 1 1   -6   32    9 o  168.758   8.9029   81.523   7.7201   73.491   12.701   86.230   9.7224  160.985   14.600  176.530   10.192 -15.54480 17.80573 
1 1 1   -6   32   10 o   67.935   17.002   13.242   7.8198   10.995   10.697   15.819   11.460   63.670   23.517   72.199   24.561 -8.528862 34.00447 
1 1 1   -6   32   11 o  213.912   8.4743  127.920   9.7575  127.617   13.230  128.281   14.448  213.953   11.444  213.871   12.502 0.8218384E-01 16.94859 
1 1 1   -6   32   12 o  128.886   12.265   47.821   8.4841   40.871   11.479   56.186   12.595  118.335   17.952  139.436   16.716 -21.10149 24.52954 
1 1 1   -6   32   13 o   98.067   15.741   30.192   8.0875   30.460   10.682   29.832   12.381   99.542   20.540   96.592   23.860 2.949905 31.48277 
1 1 1   -6   32   14 o   72.045   17.053   16.031   7.7707   15.677   10.353   16.486   11.760   71.176   23.328   72.913   24.880 -1.737312 34.10555 
1 1 1   -6   32   15 o   79.217   17.012   20.154   8.0626   24.014   11.163   15.945   11.658   86.582   23.332   71.853   24.764 14.72835 34.02394 
1 1 1   -6   32   16 o   59.405   16.586   8.2359   7.8795   9.4779   11.107   6.9774   11.180   61.122   23.641   57.689   23.269 3.432667 33.17198 
1 1 1   -6   32   17 o   59.866   16.306   8.7877   7.7034   12.917   10.279   3.4957   11.635   65.819   23.216   53.912   22.904 11.90681 32.61278 
1 1 1   -6   32   18 o  143.981   10.947   59.879   8.4880   59.388   11.525   60.462   12.547  143.717   14.841  144.245   16.098 -0.5278625 21.89496 
1 1 1   -6   32   19 o   65.578   16.646   12.474   7.8896   17.717   10.599   5.9579   11.815   74.280   23.539   56.876   23.544 17.40356 33.29258 
1 1 1   -6   32   20 o  139.214   15.577   56.162   11.718   56.162   11.718   0.0000   0.0000  139.214   15.577  ?   ?       ?      ? 
1 1 1   -6   32   21 o   45.653   14.452  -3.5990   7.7083   3.2597   10.396 -11.9731   11.488   51.358   21.725   39.948   19.066 11.41043 28.90495 
1 1 1   -6   32   22 o   74.519   16.983   17.993   7.8901   20.986   10.816   14.588   11.535   80.235   23.463   68.803   24.559 11.43253 33.96561 
1 1 1   -6   32   23 f   86.453   17.146   25.167   8.5559   30.844   11.832   18.945   12.387   97.300   22.886   75.606   25.536 21.69380 34.29121 
1 1 1   -6   32   24 f  124.605   12.983   47.909   8.3279   53.288   11.211   41.287   12.439  135.036   15.364  114.174   20.934 20.86187 25.96680 
1 1 1   -6   32   25 o  153.920   10.684   68.835   8.8641   62.828   12.116   75.753   13.002  146.585   15.296  161.254   14.922 -14.66867 21.36887 
1 1 1   -6   32   26 o   82.237   17.257   23.182   8.3364   26.498   11.408   19.383   12.211   88.934   23.417   75.540   25.355 13.39430 34.51436 
1 1 1   -6   32   27 o   64.898   16.003   12.114   8.5426   23.272   10.763  -6.8806   14.043   82.611   23.172   47.186   22.078 35.42558 32.00550 
1 1 1   -6   32   28 o   60.594   17.101   10.224   8.3933   14.261   12.885   7.2490   11.062   65.883   25.469   55.305   22.828 10.57835 34.20238 
1 1 1   -6   32   29 o   52.063   22.259   4.4145   11.116   0.0000   0.0000   4.4145   11.116  ?   ?    52.063   22.259      ?      ? 
1 1 1   -6   32   30 o   59.929   19.398   0.5744   14.093   6.0946   20.833  -4.0833   19.137   64.023   28.787   55.836   26.008 8.186951 38.79576 
1 1 1   -6   32   31 o   75.537   20.011   9.2056   13.902   44.459   20.503 -20.7905   18.913  103.749   32.725   47.324   23.041 56.42526 40.02250 
1 1 1   -6   32   32 o   55.621   18.345  -3.4924   13.668 -10.0811   20.377   1.8964   18.428   53.224   25.399   58.018   26.476 -4.794258 36.68930 
1 1 1   -6   32   33 o   54.692   17.101   4.9083   9.0711   0.6397   10.782   15.252   16.783   45.504   20.561   63.879   27.332 -18.37461 34.20218 
1 1 1   -6   32   34 o   90.546   16.856   31.698   8.4986   37.466   12.025   25.942   12.013  100.996   22.599   80.097   25.016 20.89922 33.71161 
1 1 1   -6   32   35 o  104.517   15.570   38.778   8.7448   50.828   12.437   26.996   12.298  125.555   18.331   83.478   25.172 42.07697 31.13942 
1 1 1   -6   32   36 o   76.027   17.566   23.243   8.3551   19.897   11.515   26.962   12.142   70.389   24.591   81.664   25.091 -11.27504 35.13255 
1 1 1   -6   32   37 o   82.847   17.063   28.109   8.3306   21.883   11.697   34.517   11.867   71.695   24.800   93.999   23.443 -22.30357 34.12607 
1 1 1   -6   33    1 o  103.221   13.701   30.256   7.6422   0.0000   0.0000   30.256   7.6422  ?   ?   103.221   13.701      ?      ? 
1 1 1   -6   33    2 o  134.582   11.243   50.621   8.1766   0.0000   0.0000   50.621   8.1766  ?   ?   134.582   11.243      ?      ? 
1 1 1   -6   33    3 o   52.378   19.412   7.0214   7.3009   0.0000   0.0000   7.0214   7.3009  ?   ?    52.378   19.412      ?      ? 
1 1 1   -6   33    4 o  152.165   10.586   64.484   8.7040   0.0000   0.0000   64.484   8.7040  ?   ?   152.165   10.586      ?      ? 
1 1 1   -6   33    5 o   89.831   16.770   24.086   7.8409   0.0000   0.0000   24.086   7.8409  ?   ?    89.831   16.770      ?      ? 
1 1 1   -6   33    6 o   76.196   19.317   17.931   7.9644   0.0000   0.0000   17.931   7.9644  ?   ?    76.196   19.317      ?      ? 
1 1 1   -6   33    7 o   77.128   19.226   18.370   7.9846   0.0000   0.0000   18.370   7.9846  ?   ?    77.128   19.226      ?      ? 
1 1 1   -6   33    8 f   88.135   14.980   24.164   6.8256   25.405   11.479   23.486   8.4895   88.548   23.573   87.723   18.492 0.8246460 29.96041 
1 1 1   -6   33    9 o  204.327   8.4326  116.163   8.8888  121.847   15.119  113.162   10.988  206.950   13.520  201.704   10.082 5.245926 16.86517 
1 1 1   -6   33   10 o   82.300   15.416   21.839   6.9070   19.851   11.099   23.095   8.8241   78.195   23.983   86.406   19.377 -8.210541 30.83272 
1 1 1   -6   33   11 o   64.554   15.862   11.208   7.7335   20.387   10.378  -0.2552   11.597   79.479   22.908   49.628   21.946 29.85115 31.72425 
1 1 1   -6   33   12 o  130.163   12.690   50.782   8.5219   62.809   12.231   39.434   11.880  147.359   15.360  112.966   20.203 34.39306 25.37946 
1 1 1   -6   33   13 f  100.408   14.116   33.083   8.1037   56.748   11.421   9.0848   11.501  140.246   15.070   60.569   23.874 79.67624 28.23213 
1 1 1   -6   33   14 o  197.724   9.0604  110.669   9.6633  119.868   13.884  102.025   13.458  205.924   12.477  189.524   13.141 16.40009 18.12076 
1 1 1   -6   33   15 o  173.412   9.7909   85.991   9.1546   79.662   12.930   92.354   12.963  166.652   14.358  180.172   13.315 -13.51955 19.58174 
1 1 1   -6   33   16 o   43.156   14.160  -6.6797   7.9395  -4.0825   11.133  -9.3682   11.326   45.033   20.561   41.279   19.474 3.753441 28.31983 
1 1 1   -6   33   17 o  143.709   11.187   60.690   8.6080   64.609   11.708   56.080   12.699  149.665   14.477  137.752   17.060 11.91249 22.37492 
1 1 1   -6   33   18 o   45.010   14.442  -6.7986   7.8796 -15.5540   10.481   4.5846   11.950   35.223   17.150   54.796   23.242 -19.57242 28.88492 
1 1 1   -6   33   19 o   68.680   16.050   14.968   7.8145   22.771   10.151   3.6133   12.244   83.369   22.154   53.992   23.229 29.37673 32.09986 
1 1 1   -6   33   20 o   77.888   17.489   20.513   8.2662   20.856   11.281   20.115   12.148   78.738   24.184   77.037   25.270 1.701385 34.97740 
1 1 1   -6   33   21 o   65.049   17.143   12.828   8.1409   10.275   11.615   15.293   11.413   61.280   24.044   68.818   24.444 -7.537819 34.28698 
1 1 1   -6   33   22 o  122.542   13.063   45.880   8.6415   43.749   11.915   48.246   12.552  119.571   18.441  125.514   18.507 -5.943527 26.12583 
1 1 1   -6   33   23 o   84.766   16.830   25.285   8.0815   27.678   10.987   22.464   11.929   90.190   22.591   79.341   24.953 10.84973 33.66020 
1 1 1   -6   33   24 o   75.084   16.203   17.183   8.0753   5.3809   10.631   33.279   12.415   52.405   22.058   97.763   23.739 -45.35767 32.40523 
1 1 1   -6   33   25 o   64.479   17.438   12.368   8.5850   7.3458   11.445   18.830   12.982   56.083   23.190   72.875   26.049 -16.79188 34.87630 
1 1 1   -6   33   26 o   50.103   24.443 -22.4797   21.588 -22.4797   21.588   0.0000   0.0000   50.103   24.443  ?   ?       ?      ? 
1 1 1   -6   33   27 o   99.815   32.777   41.419   20.436   0.0000   0.0000   41.419   20.436  ?   ?    99.815   32.777      ?      ? 
1 1 1   -6   33   28 o  111.806   30.403   49.437   18.853   0.0000   0.0000   49.437   18.853  ?   ?   111.806   30.403      ?      ? 
1 1 1   -6   33   29 o   57.278   18.349   0.2900   13.635 -24.5045   21.053   18.205   17.895   46.410   22.935   68.147   28.648 -21.73697 36.69754 
1 1 1   -6   33   30 o   97.177   15.576   36.514   8.6176   49.909   11.796   21.185   12.620  123.433   17.686   70.922   25.644 52.51107 31.15106 
1 1 1   -6   33   31 f  105.253   15.831   39.152   8.6938   35.862   11.662   43.267   13.043  100.516   22.076  109.991   22.698 -9.475182 31.66260 
1 1 1   -6   33   32 o   41.921   13.960  -5.7952   8.1975  -3.1870   10.996  -9.0576   12.299   42.861   19.880   40.981   19.605 1.879707 27.92091 
1 1 1   -6   33   33 o   64.649   17.351   16.867   8.4514   19.102   11.490   14.233   12.475   68.381   24.500   60.917   24.577 7.464348 34.70281 
1 1 1   -6   33   34 o   46.937   15.124   1.6520   8.4760  -1.6169   11.628   5.3587   12.382   43.567   20.286   50.307   22.437 -6.740490 30.24805 
1 1 1   -6   34    1 o   83.450   17.899   21.276   7.8294   0.0000   0.0000   21.276   7.8294  ?   ?    83.450   17.899      ?      ? 
1 1 1   -6   34    2 f  137.015   11.280   52.697   8.3511   0.0000   0.0000   52.697   8.3511  ?   ?   137.015   11.280      ?      ? 
1 1 1   -6   34    3 o  131.069   11.894   48.434   8.4236   0.0000   0.0000   48.434   8.4236  ?   ?   131.069   11.894      ?      ? 
1 1 1   -6   34    4 f  103.451   14.105   30.698   7.8850   0.0000   0.0000   30.698   7.8850  ?   ?   103.451   14.105      ?      ? 
1 1 1   -6   34    5 o   87.890   17.064   23.360   7.8117   0.0000   0.0000   23.360   7.8117  ?   ?    87.890   17.064      ?      ? 
1 1 1   -6   34    6 o   66.336   20.951   13.768   8.4019   0.0000   0.0000   13.768   8.4019  ?   ?    66.336   20.951      ?      ? 
1 1 1   -6   34    7 o   38.205   17.533  -4.1014   8.2344   0.0000   0.0000  -4.1014   8.2344  ?   ?    38.205   17.533      ?      ? 
1 1 1   -6   34    8 o  114.936   14.581   38.218   9.0556   0.0000   0.0000   38.218   9.0556  ?   ?   114.936   14.581      ?      ? 
1 1 1   -6   34    9 o  131.559   10.801   51.273   7.2784   47.455   12.085   53.445   9.1174  125.954   17.756  137.164   12.301 -11.20951 21.60102 
1 1 1   -6   34   10 o   53.799   15.014   6.6053   6.7316  -0.7300   11.477   10.452   8.3113   48.360   21.582   59.238   20.879 -10.87812 30.02858 
1 1 1   -6   34   11 o   72.296   16.016   17.094   6.8588   16.342   11.327   17.529   8.6184   70.758   24.408   73.833   20.744 -3.074944 32.03209 
1 1 1   -6   34   12 o   43.599   14.106  -3.8023   7.4443  -2.1904   9.8702  -5.9289   11.337   43.724   19.723   43.475   20.172 0.2489090 28.21150 
1 1 1   -6   34   13 o   42.020   13.877  -7.7495   7.9139  -2.8231   10.939 -13.1601   11.464   45.303   20.567   38.737   18.635 6.565617 27.75327 
1 1 1   -6   34   14 o   71.041   17.701   16.610   8.4983   18.405   11.616   14.542   12.466   74.084   24.730   67.998   25.334 6.086113 35.40251 
1 1 1   -6   34   15 o   44.378   14.447  -6.1368   8.1818 -12.8852   11.432   0.9502   11.715   38.678   18.607   50.078   22.106 -11.39962 28.89437 
1 1 1   -6   34   16 o  127.921   13.581   52.712   8.6924   64.478   11.788   38.691   12.868  148.156   14.725  107.685   22.823 40.47147 27.16105 
1 1 1   -6   34   17 o   57.086   16.443   8.1863   7.9157   7.2133   10.475   9.4815   12.086   54.816   22.372   59.355   24.105 -4.538567 32.88683 
1 1 1   -6   34   18 o   85.301   16.593   26.468   8.5059   35.125   11.386   15.535   12.796  103.021   21.161   67.582   25.564 35.43946 33.18562 
1 1 1   -6   34   19 o   53.844   16.385   4.8234   8.6136   4.9714   11.836   4.6567   12.559   53.563   22.936   54.126   23.406 -0.5623779 32.77016 
1 1 1   -6   34   20 o   47.937   15.300  -1.4814   8.5437   2.5670   11.677  -6.1462   12.534   51.006   22.305   44.869   20.950 6.136276 30.60089 
1 1 1   -6   34   21 o   42.338   14.136  -8.7629   8.5200  -5.4919   11.870 -12.2394   12.237   44.264   20.573   40.412   19.392 3.851151 28.27152 
1 1 1   -6   34   22 o  162.648   15.543   73.686   12.587  122.140   24.308   55.936   14.712  192.296   23.393  133.000   20.471 59.29686 31.08563 
1 1 1   -6   34   23 o   58.936   19.187  -0.9643   14.313  -9.0631   20.786   6.3378   19.737   54.803   26.011   63.069   28.213 -8.265656 38.37377 
1 1 1   -6   34   24 o   61.733   19.763   5.9645   14.258   12.349   20.427  -0.1015   19.911   66.093   29.182   57.373   26.659 8.719913 39.52542 
1 1 1   -6   34   25 o   71.114   30.528   24.099   21.063   24.099   21.063   0.0000   0.0000   71.114   30.528  ?   ?       ?      ? 
1 1 1   -6   34   26 o   48.964   16.384  -2.6492   11.237  -2.0088   14.214  -3.7162   18.347   47.346   22.172   50.581   24.128 -3.234673 32.76823 
1 1 1   -6   34   27 o  163.022   11.368   80.988   9.8958   95.090   15.520   71.327   12.846  174.161   16.492  151.883   15.651 22.27728 22.73638 
1 1 1   -6   34   28 o   46.761   14.847  -1.1914   8.2460   7.6492   11.513 -10.5051   11.817   54.238   22.898   39.284   18.904 14.95346 29.69310 
1 1 1   -6   34   29 o   75.859   16.387   21.171   8.3014   8.6695   11.188   36.483   12.382   53.909   22.657   97.809   23.680 -43.89925 32.77321 
1 1 1   -6   34   30 o   54.275   16.199   9.0860   8.1100   5.6325   10.747   13.654   12.360   49.218   21.465   59.331   24.268 -10.11330 32.39845 
1 1 1   -6   35    1 o   39.611   17.765  -1.4503   7.8787   0.0000   0.0000  -1.4503   7.8787  ?   ?    39.611   17.765      ?      ? 
1 1 1   -6   35    2 o   82.048   18.453   21.326   7.9829   0.0000   0.0000   21.326   7.9829  ?   ?    82.048   18.453      ?      ? 
1 1 1   -6   35    3 o  108.138   13.991   34.147   8.1757   0.0000   0.0000   34.147   8.1757  ?   ?   108.138   13.991      ?      ? 
1 1 1   -6   35    4 o   63.186   20.725   12.889   8.1709   0.0000   0.0000   12.889   8.1709  ?   ?    63.186   20.725      ?      ? 
1 1 1   -6   35    5 o   51.151   20.272   6.4152   8.3344   0.0000   0.0000   6.4152   8.3344  ?   ?    51.151   20.272      ?      ? 
1 1 1   -6   35    6 o  124.907   12.810   45.152   8.6461   0.0000   0.0000   45.152   8.6461  ?   ?   124.907   12.810      ?      ? 
1 1 1   -6   35    7 o   80.537   29.093   25.219   16.238   0.0000   0.0000   25.219   16.238  ?   ?    80.537   29.093      ?      ? 
1 1 1   -6   35    8 o   74.326   20.532   18.377   8.5192   0.0000   0.0000   18.377   8.5192  ?   ?    74.326   20.532      ?      ? 
1 1 1   -6   35    9 o  127.298   13.756   47.511   9.4625   0.0000   0.0000   47.511   9.4625  ?   ?   127.298   13.756      ?      ? 
1 1 1   -6   35   10 o   68.002   16.368   14.749   7.0591   20.874   11.592   11.139   8.8994   76.482   24.658   59.522   21.533 16.96001 32.73629 
1 1 1   -6   35   11 o   57.334   14.511  -2.4695   7.2448   25.631   12.166 -17.9110   9.0183   84.633   24.922   30.034   14.873 54.59951 29.02261 
1 1 1   -6   35   12 o   41.518   13.811 -12.7658   7.9166   2.8311   12.554 -23.0639   10.201   52.488   23.036   30.549   15.241 21.93987 27.62170 
1 1 1   -6   35   17 o   39.131   19.008 -28.7860   11.463 -87.1622   26.878 -15.8062   12.674  ?   ?    39.131   19.008      ?      ? 
1 1 1   -6   35   18 o   55.496   18.815 -11.9246   15.282   5.8581   25.108 -22.3896   19.261   64.813   30.054   46.179   22.646 18.63372 37.63091 
1 1 1   -6   35   19 o   56.622   19.017  -1.9537   15.948 -11.4234   24.941   4.5968   20.743   54.462   26.504   58.781   27.278 -4.319744 38.03379 
1 1 1   -6   35   20 o   53.022   18.253  -8.7928   15.910   4.8198   25.705 -17.2455   20.256   59.301   28.363   46.743   22.983 12.55804 36.50582 
1 1 1   -6   35   21 o   60.030   19.537   9.3082   15.129  -3.9887   25.049   16.944   18.982   55.537   26.919   64.523   28.322 -8.986202 39.07424 
1 1 1   -6   35   22 o   65.004   17.008   12.199   8.7384   0.7425   11.461   28.103   13.504   46.937   21.205   83.071   26.596 -36.13434 34.01502 
1 1 1   -6   35   23 o  120.112   14.879   49.318   9.3174   58.011   13.250   40.814   13.105  134.130   18.281  106.094   23.480 28.03539 29.75724 
1 1 1   -6   35   24 o   82.109   18.609   28.924   9.5357   30.996   11.788   25.000   16.220   90.187   23.830   74.031   28.588 16.15589 37.21768 
1 1 1   -6   35   25 o   69.572   18.253   20.582   9.2460   26.712   13.675   15.421   12.549   77.126   26.807   62.018   24.780 15.10786 36.50573 
1 1 1   -6   35   26 o   71.724   17.507   21.794   9.1981   10.239   13.236   32.584   12.791   55.582   24.032   87.866   25.464 -32.28385 35.01365 
1 1 1   -6   36    1 o   50.894   22.279   2.3403   11.674   0.0000   0.0000   2.3403   11.674  ?   ?    50.894   22.279      ?      ? 
1 1 1   -6   36    2 o   89.138   24.697   27.931   12.306   0.0000   0.0000   27.931   12.306  ?   ?    89.138   24.697      ?      ? 
1 1 1   -6   36    3 o   33.241   16.101 -11.8998   8.9210   0.0000   0.0000 -11.8998   8.9210  ?   ?    33.241   16.101      ?      ? 
1 1 1   -6   36    4 o   52.545   21.417   6.2517   9.5844   0.0000   0.0000   6.2517   9.5844  ?   ?    52.545   21.417      ?      ? 
1 1 1   -6   36    5 o   32.116   15.763 -15.7031   9.3923   0.0000   0.0000 -15.7031   9.3923  ?   ?    32.116   15.763      ?      ? 
1 1 1   -6   36    6 o   54.149   21.014   8.0267   8.7982   0.0000   0.0000   8.0267   8.7982  ?   ?    54.149   21.014      ?      ? 
1 1 1   -6   36    7 o   62.027   21.150   12.563   8.4982   0.0000   0.0000   12.563   8.4982  ?   ?    62.027   21.150      ?      ? 
1 1 1   -6   36    8 o   27.710   13.841 -19.9621   8.5222   0.0000   0.0000 -19.9621   8.5222  ?   ?    27.710   13.841      ?      ? 
1 1 1   -6   36    9 o   82.806   20.446   23.217   9.0943   0.0000   0.0000   23.217   9.0943  ?   ?    82.806   20.446      ?      ? 
1 1 1   -6   36   10 o   40.004   13.321  -7.6294   7.8314 -23.3333   13.625   0.1179   9.5701   36.479   18.102   43.530   19.547 -7.050682 26.64155 
1 1 1   -6   36   11 o   57.359   16.327   8.0839   7.6749   20.074   13.074   1.7789   9.4804   70.074   25.976   44.644   19.787 25.42988 32.65382 
1 1 1   -6   36   12 o   41.555   19.134  -1.7379   9.9177   0.0000   0.0000  -1.7379   9.9177  ?   ?    41.555   19.134      ?      ? 
1 1 1   -6   36   13 o   32.768   16.390 -24.5934   12.137   0.0000   0.0000 -24.5934   12.137  ?   ?    32.768   16.390      ?      ? 
1 1 1   -6   36   14 o   67.113   21.891   16.697   17.774   35.383   29.072   5.5428   22.461   75.470   33.963   58.757   27.629 16.71334 43.78188 
1 1 1   -6   36   15 o   59.825   19.857  -0.6827   17.555 -29.2342   26.926   20.428   23.153   50.322   25.050   69.328   30.816 -19.00655 39.71326 
1 1 1   -6   36   16 o   46.274   23.300 -46.3739   26.639 -46.3739   26.639   0.0000   0.0000   46.274   23.300  ?   ?       ?      ? 
1 1 1   -6   36   17 o   35.770   17.494 -14.9317   11.259 -14.9317   11.259   0.0000   0.0000   35.770   17.494  ?   ?       ?      ? 
1 1 1   -6   36   18 o   61.205   17.532   13.735   9.0323   15.205   11.396   11.252   14.812   63.329   24.085   59.082   25.484 4.247719 35.06413 
1 1 1   -6   36   19 o  103.504   17.766   39.990   9.7118   29.449   12.136   58.761   16.195   85.036   24.850  121.972   25.397 -36.93533 35.53168 
1 1 1   -6   36   20 o   65.688   17.243   14.283   10.637   34.617   14.237 -11.4099   16.003   87.832   27.200   43.544   21.200 44.28836 34.48583 
1 1 1   -6   37    1 o   57.920   23.672   10.454   11.748   0.0000   0.0000   10.454   11.748  ?   ?    57.920   23.672      ?      ? 
1 1 1   -6   37    2 o   37.731   17.474  -3.4926   8.4496   0.0000   0.0000  -3.4926   8.4496  ?   ?    37.731   17.474      ?      ? 
1 1 1   -6   37    3 o   50.859   20.348   7.1586   8.4732   0.0000   0.0000   7.1586   8.4732  ?   ?    50.859   20.348      ?      ? 
1 1 1   -6   37    4 o   30.490   15.143 -18.7082   9.6124   0.0000   0.0000 -18.7082   9.6124  ?   ?    30.490   15.143      ?      ? 
1 1 1   -6   37    5 o   57.007   22.917   10.294   10.805   0.0000   0.0000   10.294   10.805  ?   ?    57.007   22.917      ?      ? 
1 1 1   -6   37    6 o   52.512   23.849   3.0541   14.728   0.0000   0.0000   3.0541   14.728  ?   ?    52.512   23.849      ?      ? 
1 1 1   -6   37   12 o   34.242   16.980 -18.8468   11.905 -18.8468   11.905   0.0000   0.0000   34.242   16.980  ?   ?       ?      ? 
1 1 1   -5    0    1 o  3212.35   38.065 28075.90  933.846 28075.90  933.846 28075.90  933.846  3212.35   53.832  3212.35   53.832 0.000000 0.000000 
1 1 1   -5    0    3 o  1567.57   18.600  6653.67  222.672  6653.67  222.672  6653.67  222.672  1567.57   26.304  1567.57   26.304 0.000000 0.000000 
1 1 1   -5    0    4 f  525.695   6.6003  747.491   26.497  747.491   26.497  747.491   26.497  525.695   9.3343  525.695   9.3343 0.000000 0.000000 
1 1 1   -5    0    5 o  827.761   10.009  1853.55   63.272  1853.55   63.272  1853.55   63.272  827.761   14.155  827.761   14.155 0.000000 0.000000 
1 1 1   -5    0    6 o  448.276   5.7733  543.544   19.763  543.544   19.763  543.544   19.763  448.276   8.1647  448.276   8.1647 0.000000 0.000000 
1 1 1   -5    0    7 o  354.858   4.8104  340.635   13.034  340.635   13.034  340.635   13.034  354.858   6.8030  354.858   6.8030 0.000000 0.000000 
1 1 1   -5    0    8 o  318.798   4.4665  274.943   10.872  274.943   10.872  274.943   10.872  318.798   6.3166  318.798   6.3166 0.000000 0.000000 
1 1 1   -5    0    9 o  1292.43   15.387  4521.95  151.872  4521.95  151.872  4521.95  151.872  1292.43   21.760  1292.43   21.760 0.000000 0.000000 
1 1 1   -5    0   10 o  367.872   4.9610  366.074   13.935  366.074   13.935  366.074   13.935  367.872   7.0159  367.872   7.0159 0.000000 0.000000 
1 1 1   -5    0   11 o  1180.66   14.088  3772.23  127.029  3772.23  127.029  3772.23  127.029  1180.66   19.924  1180.66   19.924 0.000000 0.000000 
1 1 1   -5    0   12 o  158.186   3.3486   67.792   4.0397   67.792   4.0397   67.792   4.0397  158.186   4.7356  158.186   4.7356 0.000000 0.000000 
1 1 1   -5    0   13 o  1191.20   14.226  3840.06  129.416  3840.06  129.416  3840.06  129.416  1191.20   20.118  1191.20   20.118 0.000000 0.000000 
1 1 1   -5    0   14 o  346.077   4.8182  324.005   12.731  324.005   12.731  324.005   12.731  346.077   6.8139  346.077   6.8139 0.000000 0.000000 
1 1 1   -5    0   15 o  1665.84   19.775  7518.08  251.576  7518.08  251.576  7518.08  251.576  1665.84   27.966  1665.84   27.966 0.000000 0.000000 
1 1 1   -5    0   16 o  1377.70   16.406  5139.67  172.620  5139.67  172.620  5139.67  172.620  1377.70   23.202  1377.70   23.202 0.000000 0.000000 
1 1 1   -5    0   17 o  255.772   4.0630  177.036   7.9324  177.036   7.9324  177.036   7.9324  255.772   5.7459  255.772   5.7459 0.000000 0.000000 
1 1 1   -5    0   18 o  925.734   11.170  2319.55   78.969  2319.55   78.969  2319.55   78.969  925.734   15.797  925.734   15.797 0.000000 0.000000 
1 1 1   -5    0   19 o  270.888   4.2451  198.589   8.7781  198.589   8.7781  198.589   8.7781  270.888   6.0035  270.888   6.0035 0.000000 0.000000 
1 1 1   -5    0   20 o  519.429   6.6411  730.034   26.342  730.034   26.342  730.034   26.342  519.429   9.3919  519.429   9.3919 0.000000 0.000000 
1 1 1   -5    0   21 o  452.767   5.9551  554.669   20.589  554.669   20.589  554.669   20.589  452.767   8.4217  452.767   8.4217 0.000000 0.000000 
1 1 1   -5    0   22 o  181.094   3.9196   88.872   5.4128   88.872   5.4128   88.872   5.4128  181.094   5.5431  181.094   5.5431 0.000000 0.000000 
1 1 1   -5    0   23 o  440.523   5.8501  525.102   19.678  525.102   19.678  525.102   19.678  440.523   8.2733  440.523   8.2733 0.000000 0.000000 
1 1 1   -5    0   24 o  178.367   5.7439   86.532   7.7924   86.532   7.7924   86.532   7.7924  178.367   8.1231  178.367   8.1231 0.000000 0.000000 
1 1 1   -5    0   27 o  287.512   4.5532  223.737   9.9927  223.737   9.9927  223.737   9.9927  287.512   6.4392  287.512   6.4392 0.000000 0.000000 
1 1 1   -5    0   28 o  686.369   8.5283  1275.11   44.701  1275.11   44.701  1275.11   44.701  686.369   12.061  686.369   12.061 0.000000 0.000000 
1 1 1   -5    0   29 o  1149.76   13.805  3581.91  121.221  3581.91  121.221  3581.91  121.221  1149.76   19.524  1149.76   19.524 0.000000 0.000000 
1 1 1   -5    0   30 o  916.585   11.127  2274.68   77.887  2274.68   77.887  2274.68   77.887  916.585   15.736  916.585   15.736 0.000000 0.000000 
1 1 1   -5    0   31 o  390.671   5.5095  412.965   16.434  412.965   16.434  412.965   16.434  390.671   7.7916  390.671   7.7916 0.000000 0.000000 
1 1 1   -5    0   32 o  1262.88   15.129  4320.46  145.912  4320.46  145.912  4320.46  145.912  1262.88   21.396  1262.88   21.396 0.000000 0.000000 
1 1 1   -5    0   33 o   98.314   7.0130   26.914   5.1460   26.914   5.1460   26.914   5.1460   98.314   9.9178   98.314   9.9178 0.000000 0.000000 
1 1 1   -5    0   34 o  1074.91   12.954  3129.03  106.339  3129.03  106.339  3129.03  106.339  1074.91   18.320  1074.91   18.320 0.000000 0.000000 
1 1 1   -5    0   35 o  843.748   10.332  1927.00   66.572  1927.00   66.572  1927.00   66.572  843.748   14.611  843.748   14.611 0.000000 0.000000 
1 1 1   -5    0   36 o  790.147   9.7501  1689.86   58.833  1689.86   58.833  1689.86   58.833  790.147   13.789  790.147   13.789 0.000000 0.000000 
1 1 1   -5    0   37 o  680.206   8.5563  1252.24   44.445  1252.24   44.445  1252.24   44.445  680.206   12.101  680.206   12.101 0.000000 0.000000 
1 1 1   -5    0   38 o  212.217   5.6198  122.238   9.0849  122.238   9.0849  122.238   9.0849  212.217   7.9476  212.217   7.9476 0.000000 0.000000 
1 1 1   -5    0   39 o  700.000   8.8340  1326.39   47.222  1326.39   47.222  1326.39   47.222  700.000   12.493  700.000   12.493 0.000000 0.000000 
1 1 1   -5    0   40 o  1154.74   13.936  3615.18  122.900  3615.18  122.900  3615.18  122.900  1154.74   19.709  1154.74   19.709 0.000000 0.000000 
1 1 1   -5    0   41 o  214.670   6.0215  125.157   9.8429  125.157   9.8429  125.157   9.8429  214.670   8.5157  214.670   8.5157 0.000000 0.000000 
1 1 1   -5    0   42 o  449.158   6.3892  546.106   21.911  546.106   21.911  546.106   21.911  449.158   9.0357  449.158   9.0357 0.000000 0.000000 
1 1 1   -5    0   43 o   23.257   11.467  -7.0748   7.3822  -7.0748   7.3822  -7.0748   7.3822   23.257   16.217   23.257   16.217 0.000000 0.000000 
1 1 1   -5    0   45 o  293.066   5.5263  232.736   12.357  232.736   12.357  232.736   12.357  293.066   7.8153  293.066   7.8153 0.000000 0.000000 
1 1 1   -5    0   46 o  895.567   11.006  2176.57   75.270  2176.57   75.270  2176.57   75.270  895.567   15.564  895.567   15.564 0.000000 0.000000 
1 1 1   -5    0   47 o  397.658   6.0121  428.378   18.251  428.378   18.251  428.378   18.251  397.658   8.5025  397.658   8.5025 0.000000 0.000000 
1 1 1   -5    0   48 o   52.555   16.722   10.903   7.1888   10.903   7.1888   10.903   7.1888   52.555   23.648   52.555   23.648 0.000000 0.000000 
1 1 1   -5    0   49 o  956.688   11.736  2491.69   85.744  2491.69   85.744  2491.69   85.744  956.688   16.597  956.688   16.597 0.000000 0.000000 
1 1 1   -5    0   50 o  302.843   5.5542  248.757   12.835  248.757   12.835  248.757   12.835  302.843   7.8549  302.843   7.8549 0.000000 0.000000 
1 1 1   -5    0   51 o   49.474   16.701   9.8608   7.2372   9.8608   7.2372   9.8608   7.2372   49.474   23.619   49.474   23.619 0.000000 0.000000 
1 1 1   -5    0   52 o  496.750   9.7068  672.973   36.785  672.973   36.785  672.973   36.785  496.750   13.727  496.750   13.727 0.000000 0.000000 
1 1 1   -5    0   55 o   22.739   11.222  -6.7067   7.1126  -6.7067   7.1126  -6.7067   7.1126   22.739   15.870   22.739   15.870 0.000000 0.000000 
1 1 1   -5    0   56 o  260.355   5.5816  184.421   11.082  184.421   11.082  184.421   11.082  260.355   7.8935  260.355   7.8935 0.000000 0.000000 
1 1 1   -5    0   57 o  138.350   7.4348   53.022   7.7562   53.022   7.7562   53.022   7.7562  138.350   10.514  138.350   10.514 0.000000 0.000000 
1 1 1   -5    0   58 o  127.255   8.0476   45.278   7.6821   45.278   7.6821   45.278   7.6821  127.255   11.381  127.255   11.381 0.000000 0.000000 
1 1 1   -5    0   59 o  141.315   7.2142   55.325   7.6974   55.325   7.6974   55.325   7.6974  141.315   10.202  141.315   10.202 0.000000 0.000000 
1 1 1   -5    0   60 o  327.243   5.7006  291.938   14.236  291.938   14.236  291.938   14.236  327.243   8.0619  327.243   8.0619 0.000000 0.000000 
1 1 1   -5    0   61 o  228.108   5.7364  142.219   9.9709  142.219   9.9709  142.219   9.9709  228.108   8.1125  228.108   8.1125 0.000000 0.000000 
1 1 1   -5    0   62 o   41.171   15.903   7.0255   7.1274   7.0255   7.1274   7.0255   7.1274   41.171   22.491   41.171   22.491 0.000000 0.000000 
1 1 1   -5    0   63 o  232.477   5.9628  148.137   10.562  148.137   10.562  148.137   10.562  232.477   8.4327  232.477   8.4327 0.000000 0.000000 
1 1 1   -5    0   64 o  199.773   6.4112  109.850   9.7417  109.850   9.7417  109.850   9.7417  199.773   9.0668  199.773   9.0668 0.000000 0.000000 
1 1 1   -5    0   65 o   49.619   17.225   10.764   7.7697   10.764   7.7697   10.764   7.7697   49.619   24.360   49.619   24.360 0.000000 0.000000 
1 1 1   -5    0   66 o  151.167   7.8847   64.367   8.9946   64.367   8.9946   64.367   8.9946  151.167   11.151  151.167   11.151 0.000000 0.000000 
1 1 1   -5    0   67 o  119.641   10.619   42.130   9.2944   42.130   9.2944   42.130   9.2944  119.641   15.018  119.641   15.018 0.000000 0.000000 
1 1 1   -5    0   68 o   22.681   11.426 -10.9480   8.6990 -10.9480   8.6990 -10.9480   8.6990   22.681   16.158   22.681   16.158 0.000000 0.000000 
1 1 1   -5    0   69 o  161.611   8.0758   74.429   9.8593   74.429   9.8593   74.429   9.8593  161.611   11.421  161.611   11.421 0.000000 0.000000 
1 1 1   -5    0   70 o  111.944   11.353   38.536   9.1327   38.536   9.1327   38.536   9.1327  111.944   16.056  111.944   16.056 0.000000 0.000000 
1 1 1   -5    1    1 o  737.348   8.9623  1467.08   35.656  1518.94   52.173  1421.63   48.841  749.544   12.881  725.153   12.464 24.39093 17.92455 
1 1 1   -5    1    2 o  759.458   9.2146  1558.40   37.796  1589.02   54.508  1530.03   52.455  766.636   13.158  752.281   12.904 14.35486 18.42919 
1 1 1   -5    1    3 o  1107.86   13.221  3320.24   79.145  3301.93  111.252  3339.00  112.618  1104.77   18.636  1110.95   18.760 -6.175537 26.44269 
1 1 1   -5    1    4 o  698.624   8.5289  1319.39   32.198  1318.73   45.527  1320.05   45.542  698.449   12.063  698.798   12.061 -0.3489990 17.05773 
1 1 1   -5    1    5 o  739.155   8.9931  1476.41   35.909  1454.20   50.041  1499.99   51.558  733.429   12.626  744.880   12.809 -11.45166 17.98620 
1 1 1   -5    1    6 o  332.661   6.4752  299.042   11.640   0.0000   0.0000  299.042   11.640  ?   ?   332.661   6.4752      ?      ? 
1 1 1   -5    1    7 o  1374.42   16.340  5114.31  121.320  5049.55  169.209  5182.83  174.039  1365.49   22.932  1383.35   23.282 -17.85352 32.67949 
1 1 1   -5    1    8 o  1137.95   13.585  3504.03   83.519  3544.97  119.549  3465.01  116.729  1144.43   19.332  1131.48   19.092 12.95569 27.16994 
1 1 1   -5    1    9 o  811.670   9.8256  1780.90   43.082  1807.52   61.845  1755.81   60.049  817.555   13.999  805.786   13.791 11.76910 19.65114 
1 1 1   -5    1   10 o  365.700   4.9429  361.329   9.7665  356.955   13.677  365.880   13.951  363.442   6.9640  367.957   7.0166 -4.515320 9.885875 
1 1 1   -5    1   11 o  678.965   8.3317  1245.62   30.557  1265.81   43.919  1226.68   42.543  684.292   11.877  673.638   11.687 10.65399 16.66336 
1 1 1   -5    1   12 o  1101.87   13.170  3284.21   78.411  3259.64  110.045  3309.53  111.754  1097.69   18.552  1106.05   18.698 -8.357178 26.34040 
1 1 1   -5    1   13 o  1531.31   18.179  6351.64  150.423  6357.59  212.951  6345.72  212.512  1532.02   25.723  1530.59   25.694 1.426758 36.35772 
1 1 1   -5    1   14 o  802.955   9.7446  1743.39   42.281  1746.83   59.914  1739.97   59.675  803.745   13.795  802.166   13.767 1.579102 19.48926 
1 1 1   -5    1   15 o  744.789   9.0918  1499.92   36.590  1495.85   51.611  1504.04   51.883  743.774   12.842  745.805   12.874 -2.030518 18.18361 
1 1 1   -5    1   16 o  1296.10   15.444  4549.92  108.168  4542.77  152.736  4557.10  153.211  1295.09   21.825  1297.12   21.858 -2.035522 30.88893 
1 1 1   -5    1   17 o  109.903   3.8924   32.791   2.3008   29.842   3.3049   35.563   3.2049  105.086   5.8201  114.720   5.1700 -9.633759 7.784741 
1 1 1   -5    1   18 o  889.718   10.755  2142.45   51.705  2150.33   73.396  2134.69   72.850  891.339   15.239  888.097   15.180 3.241882 21.50942 
1 1 1   -5    1   19 o  1285.87   15.376  4488.28  106.824  4451.96  149.788  4525.88  152.391  1280.60   21.646  1291.13   21.842 -10.53223 30.75112 
1 1 1   -5    1   20 o  568.742   7.1733  874.928   22.045  873.325   31.131  876.541   31.223  568.220   10.139  569.264   10.150 -1.044617 14.34652 
1 1 1   -5    1   21 o  242.696   4.0958  158.949   5.3669  152.888   7.4080  165.645   7.7860  237.834   5.7642  247.557   5.8204 -9.723038 8.191614 
1 1 1   -5    1   22 o  424.067   5.6731  486.210   12.999  490.560   18.511  481.977   18.259  425.938   8.0425  422.197   8.0034 3.740936 11.34622 
1 1 1   -5    1   23 o  485.677   6.3129  637.739   16.564  627.964   23.116  648.054   23.746  481.857   8.8779  489.498   8.9774 -7.641541 12.62578 
1 1 1   -5    1   24 o  688.874   17.062  1287.39   63.511  1287.39   63.511   0.0000   0.0000  688.874   17.062  ?   ?       ?      ? 
1 1 1   -5    1   26 o  877.571   21.432  2093.69  101.634  2093.69  101.634   0.0000   0.0000  877.571   21.432  ?   ?       ?      ? 
1 1 1   -5    1   27 o  557.362   7.1100  840.434   21.414  840.823   30.308  840.045   30.260  557.490   10.061  557.233   10.049 0.2571411 14.21999 
1 1 1   -5    1   28 f  846.355   10.317  1940.05   47.180  1929.04   66.327  1951.33   67.126  843.931   14.544  848.780   14.636 -4.848816 20.63348 
1 1 1   -5    1   29 o  715.619   8.8555  1385.83   34.243  1378.48   48.181  1393.33   48.675  713.705   12.493  717.533   12.554 -3.828186 17.71099 
1 1 1   -5    1   30 o  924.512   11.214  2315.04   56.020  2311.04   79.091  2319.06   79.359  923.713   15.845  925.310   15.872 -1.597778 22.42726 
1 1 1   -5    1   31 o  1154.51   13.868  3612.73   86.502  3578.85  121.169  3647.94  123.530  1149.01   19.516  1160.01   19.707 -10.99939 27.73503 
1 1 1   -5    1   32 o  495.324   6.5399  662.740   17.494  647.298   24.230  679.553   25.283  489.306   9.1641  501.343   9.3326 -12.03662 13.07971 
1 1 1   -5    1   33 o  1028.28   12.415  2863.82   68.982  2849.68   97.084  2878.25   98.034  1025.72   17.516  1030.84   17.599 -5.116455 24.83026 
1 1 1   -5    1   34 o  1132.79   13.623  3478.06   83.387  3461.33  117.320  3495.13  118.544  1130.04   19.213  1135.53   19.319 -5.483154 27.24640 
1 1 1   -5    1   35 o  983.689   11.918  2620.72   63.346  2601.37   88.926  2640.66   90.259  980.012   16.792  987.366   16.917 -7.353882 23.83613 
1 1 1   -5    1   36 o  530.636   6.9709  761.175   19.984  748.718   27.899  774.301   28.638  526.181   9.8121  535.091   9.9044 -8.909851 13.94186 
1 1 1   -5    1   37 f  656.817   8.2965  1166.91   29.439  1149.75   41.090  1185.01   42.198  651.862   11.665  661.771   11.800 -9.909058 16.59291 
1 1 1   -5    1   38 f  704.945   8.8306  1345.21   33.638  1343.58   47.506  1346.85   47.638  704.517   12.479  705.373   12.498 -0.8559570 17.66127 
1 1 1   -5    1   39 o  800.498   9.9150  1735.37   42.889  1736.16   60.714  1734.59   60.593  800.679   14.033  800.318   14.011 0.3606567 19.83009 
1 1 1   -5    1   40 o  429.569   6.2188  498.948   14.433  491.053   20.198  507.185   20.632  426.099   8.7724  433.040   8.8170 -6.940216 12.43767 
1 1 1   -5    1   41 o  488.938   6.7274  646.297   17.767  660.213   25.584  633.333   24.692  494.014   9.5837  483.862   9.4437 10.15219 13.45479 
1 1 1   -5    1   42 o  419.576   6.1714  474.487   13.957  452.485   18.943  500.619   20.645  408.984   8.5713  430.168   8.8814 -21.18423 12.34286 
1 1 1   -5    1   43 o  198.443   6.1743  106.527   6.6202  104.674   9.2997  108.431   9.4264  196.693   8.7497  200.193   8.7138 -3.500031 12.34857 
1 1 1   -5    1   44 o  457.757   9.1261  567.194   22.574  567.194   22.574   0.0000   0.0000  457.757   9.1261  ?   ?       ?      ? 
1 1 1   -5    1   45 o  279.473   5.5691  211.243   8.4076  205.980   11.714  216.835   12.075  275.886   7.8575  283.059   7.8943 -7.173798 11.13818 
1 1 1   -5    1   46 o  225.776   5.7691  137.900   7.0318  146.501   10.078  129.740   9.8164  232.639   8.0167  218.912   8.2984 13.72743 11.53822 
1 1 1   -5    1   47 o  494.686   6.7967  663.138   18.164  673.325   26.039  653.482   25.350  498.376   9.6690  490.997   9.5548 7.379059 13.59347 
1 1 1   -5    1   48 o  345.491   5.7027  323.406   10.646  321.010   15.081  325.786   15.031  344.211   8.1081  346.772   8.0214 -2.561615 11.40540 
1 1 1   -5    1   49 o  244.589   5.5993  162.121   7.3998  159.184   10.422  165.106   10.508  242.352   7.9582  246.826   7.8788 -4.474411 11.19861 
1 1 1   -5    1   50 o  363.080   5.7924  357.510   11.362  363.927   16.267  351.396   15.878  366.256   8.2192  359.905   8.1642 6.350739 11.58486 
1 1 1   -5    1   51 o   54.585   14.802   4.3076   5.8992   1.4217   7.1776   10.315   10.356   44.068   18.305   65.101   23.267 -21.03345 29.60426 
1 1 1   -5    1   52 o  260.121   6.8730  182.522   9.1644  189.212   15.801  179.131   11.250  263.398   11.102  256.845   8.1056 6.553009 13.74597 
1 1 1   -5    1   55 o  281.081   8.0504  216.496   12.222  225.225   17.569  208.311   17.013  286.581   11.345  275.581   11.425 10.99988 16.10072 
1 1 1   -5    1   56 o  140.022   7.3924   54.006   5.5606   47.744   7.9095   60.125   7.8189  131.828   11.103  148.215   9.7626 -16.38783 14.78489 
1 1 1   -5    1   57 o  219.783   5.7673  131.581   6.8434  137.882   9.9296  125.880   9.4447  224.781   8.1749  214.785   8.1376 9.995560 11.53469 
1 1 1   -5    1   58 o  123.404   8.0221   42.414   5.2988   36.453   7.5824   48.105   7.4080  114.634   12.241  132.173   10.372 -17.53830 16.04414 
1 1 1   -5    1   59 o  267.804   5.5656  195.844   8.0481  202.944   11.660  189.383   11.123  272.413   7.9208  263.194   7.8207 9.219177 11.13118 
1 1 1   -5    1   60 o   69.361   12.859   14.261   4.9655   18.546   7.2584   10.491   6.8078   78.851   17.493   59.872   18.853 18.97904 25.71860 
1 1 1   -5    1   61 o  216.217   5.9220  128.389   6.9137  129.663   9.9965  127.222   9.5722  217.182   8.5180  215.251   8.2296 1.931274 11.84408 
1 1 1   -5    1   62 o   75.960   12.267   17.712   5.2942   8.7957   7.6106   26.072   7.3696   56.282   19.964   95.637   14.260 -39.35533 24.53380 
1 1 1   -5    1   63 o  272.410   5.7877  204.469   8.5178  210.337   12.127  198.753   11.967  276.309   8.1218  268.511   8.2477 7.797363 11.57534 
1 1 1   -5    1   64 o   86.563   12.337   22.664   5.5659   25.195   8.1371   20.439   7.6301   91.367   17.110   81.759   17.777 9.608414 24.67365 
1 1 1   -5    1   65 o  172.853   7.0883   83.563   6.6153   88.119   9.4305   79.149   9.2821  177.607   9.8263  168.100   10.219 9.506912 14.17658 
1 1 1   -5    1   66 o   57.393   13.984   9.3892   5.6896   15.774   8.1372   3.2822   7.9584   69.136   20.389   45.649   19.143 23.48720 27.96703 
1 1 1   -5    1   67 o   95.347   12.702   28.411   6.2982   28.760   9.1340   28.095   8.6961   95.649   18.339   95.045   17.580 0.6049652 25.40425 
1 1 1   -5    1   68 o  129.931   9.7359   49.760   6.8122   54.779   9.7257   44.926   9.5447  136.838   13.153  123.024   14.358 13.81416 19.47171 
1 1 1   -5    1   69 o  241.029   6.4626  164.904   8.4128  171.730   12.110  158.538   11.696  245.877   9.1148  236.182   9.1641 9.695313 12.92516 
1 1 1   -5    1   70 o  202.614   6.9108  118.225   7.5638  119.098   10.853  117.401   10.547  203.197   9.8843  202.030   9.6611 1.166962 13.82159 
1 1 1   -5    2    1 o  1588.24   18.836  6828.99  161.581  6952.23  232.885  6714.60  224.374  1602.01   26.902  1574.48   26.372 27.53735 37.67255 
1 1 1   -5    2    2 o  523.118   6.6173  739.331   18.701  750.592   26.823  728.680   26.086  526.992   9.4191  519.245   9.2971 7.747009 13.23461 
1 1 1   -5    2    3 o  697.207   8.5187  1314.04   32.094  1313.34   45.380  1314.73   45.395  697.023   12.049  697.391   12.046 -0.3675537 17.03748 
1 1 1   -5    2    5 o  635.338   7.8358  1090.45   26.889  1069.74   37.354  1112.72   38.738  629.083   10.989  641.592   11.174 -12.50867 15.67165 
1 1 1   -5    2    7 o  488.198   6.2168  644.166   16.400  646.798   23.275  641.569   23.112  489.188   8.8048  487.208   8.7790 1.980865 12.43361 
1 1 1   -5    2    8 o  869.903   10.494  2046.14   49.319  2021.39   68.897  2072.15   70.631  864.515   14.748  875.291   14.933 -10.77679 20.98833 
1 1 1   -5    2    9 o  1079.69   12.912  3154.07   75.330  3144.51  106.209  3163.75  106.858  1078.05   18.232  1081.33   18.288 -3.288574 25.82351 
1 1 1   -5    2   10 o  2036.13   24.119 11250.17  265.350 11330.95  378.169 11171.82  372.421  2043.30   34.251  2028.97   33.968 14.32410 48.23822 
1 1 1   -5    2   11 o  935.232   11.247  2365.18   56.836  2350.37   79.825  2380.41   80.943  932.266   15.846  938.198   15.966 -5.931824 22.49457 
1 1 1   -5    2   12 o  910.332   10.961  2241.03   53.919  2240.53   76.243  2241.52   76.263  910.232   15.501  910.433   15.502 -0.2004395 21.92224 
1 1 1   -5    2   13 o  755.571   9.2096  1543.45   37.601  1538.33   53.005  1548.65   53.348  754.309   13.004  756.833   13.045 -2.524292 18.41921 
1 1 1   -5    2   14 o  1566.33   18.607  6649.02  157.480  6691.74  224.252  6607.45  221.201  1571.28   26.412  1561.39   26.217 9.890991 37.21455 
1 1 1   -5    2   15 o  587.424   7.3449  932.800   23.314  929.534   32.869  936.107   33.074  586.390   10.373  588.458   10.401 -2.068604 14.68978 
1 1 1   -5    2   16 o  578.549   7.2523  904.849   22.673  903.761   32.059  905.937   32.069  578.201   10.261  578.897   10.252 -0.6959839 14.50466 
1 1 1   -5    2   17 o  327.187   4.6734  289.035   8.2575  296.832   11.938  281.884   11.434  331.412   6.6663  322.961   6.5516 8.451050 9.346862 
1 1 1   -5    2   18 o  369.659   5.0855  369.360   10.158  369.462   14.363  369.258   14.369  369.710   7.1894  369.608   7.1945 0.1022644 10.17096 
1 1 1   -5    2   19 o  944.263   11.400  2415.59   58.167  2407.71   82.017  2423.57   82.508  942.716   16.100  945.808   16.144 -3.092041 22.79998 
1 1 1   -5    2   20 f  664.186   8.2251  1193.63   29.520  1187.98   41.558  1199.37   41.938  662.604   11.607  665.768   11.657 -3.163940 16.45028 
1 1 1   -5    2   21 o  520.888   6.6676  733.610   18.763  723.473   26.211  744.265   26.872  517.201   9.3786  524.575   9.4798 -7.373291 13.33513 
1 1 1   -5    2   22 o  226.332   4.0321  138.192   4.9265  131.667   6.7948  145.423   7.1534  220.710   5.6972  231.954   5.7072 -11.24335 8.064158 
1 1 1   -5    2   23 o  296.277   5.4751  238.427   8.3538  233.784   14.078  240.951   10.379  294.005   8.8610  298.550   6.4333 -4.545166 10.95016 
1 1 1   -5    2   24 o  487.711   12.667  644.144   33.382  644.144   33.382   0.0000   0.0000  487.711   12.667  ?   ?       ?      ? 
1 1 1   -5    2   26 f  730.798   12.788  1448.83   50.489  1429.28   70.531  1469.37   72.307  725.762   17.985  735.834   18.185 -10.07269 25.57615 
1 1 1   -5    2   27 o  1222.26   14.672  4058.48   96.900  4080.02  137.804  4037.41  136.282  1225.44   20.810  1219.07   20.688 6.375732 29.34407 
1 1 1   -5    2   28 o  877.459   10.676  2085.54   50.621  2077.76   71.324  2093.44   71.857  875.814   15.071  879.105   15.127 -3.290222 21.35270 
1 1 1   -5    2   29 o  336.131   5.0202  305.411   9.1181  306.795   12.959  304.054   12.832  336.885   7.1186  335.377   7.0806 1.507538 10.04040 
1 1 1   -5    2   30 o  582.882   7.4130  918.719   23.345  908.009   32.653  929.916   33.388  579.411   10.429  586.353   10.538 -6.941650 14.82603 
1 1 1   -5    2   31 o  850.960   10.384  1958.72   47.722  1920.99   66.176  1999.60   68.884  842.443   14.537  859.476   14.832 -17.03302 20.76790 
1 1 1   -5    2   32 f  606.835   7.6896  995.777   25.214  987.923   35.443  1003.83   35.877  604.414   10.852  609.256   10.897 -4.842651 15.37913 
1 1 1   -5    2   33 o  483.642   6.4449  632.340   16.841  637.269   24.031  627.582   23.610  485.492   9.1600  481.791   9.0688 3.700806 12.88981 
1 1 1   -5    2   34 o  1276.29   15.295  4418.22  105.470  4462.35  150.715  4375.88  147.646  1282.50   21.748  1270.07   21.513 12.43140 30.59049 
1 1 1   -5    2   35 o  333.576   5.2329  300.534   9.4268  307.804   13.620  293.850   13.061  337.443   7.4695  329.708   7.3307 7.734650 10.46575 
1 1 1   -5    2   36 o  606.072   7.7442  992.728   25.345  1015.27   36.672  972.118   35.068  612.644   11.077  599.500   10.825 13.14392 15.48843 
1 1 1   -5    2   37 o  926.209   11.286  2323.50   56.471  2355.55   81.031  2293.22   78.742  932.398   16.083  920.019   15.839 12.37921 22.57255 
1 1 1   -5    2   38 o  564.041   7.3678  860.489   22.453  848.667   31.417  872.829   32.099  560.086   10.381  567.997   10.458 -7.911194 14.73554 
1 1 1   -5    2   39 o  411.398   6.0644  457.312   13.475  469.282   19.433  446.228   18.700  416.576   8.6330  406.220   8.5193 10.35654 12.12873 
1 1 1   -5    2   40 o  504.988   6.8671  689.814   18.737  684.823   26.289  694.966   26.713  503.135   9.6695  506.842   9.7534 -3.706757 13.73415 
1 1 1   -5    2   41 o  719.769   9.0511  1402.78   35.201  1392.92   49.434  1412.92   50.136  717.209   12.755  722.329   12.845 -5.119568 18.10222 
1 1 1   -5    2   42 o  258.601   5.6411  180.711   7.8790  173.969   10.958  187.928   11.337  253.611   7.9958  263.591   7.9596 -9.979965 11.28216 
1 1 1   -5    2   43 o  557.152   7.3844  840.356   22.232  841.440   31.525  839.282   31.357  557.507   10.464  556.797   10.422 0.7108154 14.76890 
1 1 1   -5    2   44 o  345.540   5.7816  322.832   10.791  332.869   15.527  313.456   15.007  350.730   8.1929  340.351   8.1599 10.37894 11.56315 
1 1 1   -5    2   45 o  586.536   7.6688  931.796   24.293  950.945   35.039  914.071   33.711  592.318   10.947  580.755   10.742 11.56281 15.33754 
1 1 1   -5    2   46 o  371.347   5.8490  373.154   11.732  379.780   16.871  366.948   16.327  374.532   8.3359  368.162   8.2070 6.370087 11.69793 
1 1 1   -5    2   47 o  300.978   5.5694  245.171   9.0538  249.637   13.044  241.020   12.577  303.614   7.9507  298.341   7.8012 5.273224 11.13875 
1 1 1   -5    2   48 o  400.438   6.0458  434.498   13.079  439.165   18.745  430.070   18.257  402.523   8.6180  398.354   8.4817 4.169556 12.09167 
1 1 1   -5    2   49 o  136.920   7.6283   51.307   5.6004   44.931   8.0341   57.333   7.8108  128.528   11.568  145.312   9.9474 -16.78412 15.25661 
1 1 1   -5    2   50 o  382.303   7.2039  401.267   14.225  411.052   17.807  384.009   23.649  389.185   8.4671  375.421   11.657 13.76346 14.40777 
1 1 1   -5    2   51 o  208.189   7.2253  119.040   7.7072  121.617   9.5530  114.234   13.044  211.682   8.3516  204.697   11.793 6.985428 14.45068 
1 1 1   -5    2   52 o  205.310   11.525  115.068   12.786   0.0000   0.0000  115.068   12.786  ?   ?   205.310   11.525      ?      ? 
1 1 1   -5    2   55 o  382.883   12.245  403.153   25.335  403.153   25.335   0.0000   0.0000  382.883   12.245  ?   ?       ?      ? 
1 1 1   -5    2   56 o  280.507   5.6072  214.464   8.4976  210.120   12.034  218.784   12.001  277.646   8.0210  283.369   7.8375 -5.722809 11.21439 
1 1 1   -5    2   57 o   65.320   13.275   12.377   4.9581   14.365   7.1798   10.565   6.8552   69.858   18.665   60.783   18.883 9.074715 26.55067 
1 1 1   -5    2   58 o  130.461   10.774   46.948   7.5952   0.0000   0.0000   46.948   7.5952  ?   ?   130.461   10.774      ?      ? 
1 1 1   -5    2   59 o  170.640   6.5188   79.886   6.0058   84.573   8.6519   75.528   8.3436  175.493   9.1235  165.787   9.3136 9.706680 13.03767 
1 1 1   -5    2   60 o  205.209   6.0238  115.691   6.6746  111.388   9.4829  119.915   9.3964  201.349   8.7158  209.068   8.3173 -7.719238 12.04751 
1 1 1   -5    2   61 o  195.043   6.2185  104.750   6.5473  103.929   9.4532  105.507   9.0768  194.220   9.0073  195.866   8.5760 -1.646255 12.43701 
1 1 1   -5    2   62 o  131.769   7.9700   48.442   5.6671   50.353   8.2823   46.760   7.7712  134.148   11.426  129.391   11.115 4.756287 15.93990 
1 1 1   -5    2   63 o  135.651   7.9852   51.656   5.8452   50.634   8.4344   52.600   8.1081  134.209   11.630  137.094   10.945 -2.884949 15.97032 
1 1 1   -5    2   64 o   74.659   13.191   17.352   5.3264   15.411   7.6245   19.202   7.4441   70.213   19.435   79.106   17.840 -8.893051 26.38148 
1 1 1   -5    2   65 o   87.904   12.199   23.702   5.5815   25.254   7.7888   22.064   8.0024   91.435   16.365   84.374   18.095 7.060814 24.39739 
1 1 1   -5    2   66 o  109.656   10.085   35.361   5.9420   40.325   8.5780   30.781   8.2388  117.513   13.509  101.800   14.977 15.71242 20.16919 
1 1 1   -5    2   67 o   58.267   14.889   10.245   6.0338   11.785   8.6763   8.8017   8.3966   61.111   21.346   55.424   20.763 5.687077 29.77851 
1 1 1   -5    2   68 o  179.198   7.4195   91.514   7.1775   86.242   10.043   97.018   10.262  173.740   10.697  184.656   10.284 -10.91512 14.83898 
1 1 1   -5    2   69 o   61.774   14.741   12.856   6.0787   18.477   8.8833   7.9069   8.3359   71.802   21.336   51.747   20.348 20.05443 29.48290 
1 1 1   -5    2   70 o   85.470   13.819   25.482   6.2510   29.326   9.1855   22.166   8.5311   92.178   19.070   78.762   20.006 13.41612 27.63886 
1 1 1   -5    3    1 o  464.297   5.9745  582.119   14.980  595.878   21.645  569.468   20.754  469.558   8.5306  459.037   8.3669 10.52106 11.94892 
1 1 1   -5    3    2 o  628.893   7.7685  1068.74   26.393  1083.95   37.852  1054.35   36.820  633.244   11.062  624.542   10.910 8.702271 15.53708 
1 1 1   -5    3    4 o  1014.27   12.160  2782.81   66.639  2762.23   93.547  2804.02   94.952  1010.47   17.132  1018.08   17.260 -7.606079 24.31928 
1 1 1   -5    3    5 o  1241.17   14.800  4170.27   99.255  4144.59  139.444  4196.64  141.311  1237.31   20.856  1245.04   21.004 -7.727295 29.59993 
1 1 1   -5    3    6 o  1104.47   13.201  3301.24   78.783  3311.46  111.836  3291.19  111.001  1106.16   18.710  1102.78   18.627 3.382324 26.40165 
1 1 1   -5    3    7 o  1373.63   16.339  5110.61  121.276  5121.59  171.874  5099.72  171.148  1375.10   23.131  1372.16   23.082 2.932007 32.67747 
1 1 1   -5    3    8 o  1039.14   12.446  2919.33   69.850  2864.53   96.898  2978.60  100.783  1029.01   17.426  1049.27   17.775 -20.26086 24.89245 
1 1 1   -5    3    9 o  815.756   9.8859  1797.96   43.552  1762.39   60.356  1836.60   62.907  807.351   13.835  824.161   14.125 -16.81061 19.77178 
1 1 1   -5    3   10 o  1158.30   13.831  3628.56   86.539  3576.12  120.548  3684.33  124.306  1149.68   19.404  1166.92   19.713 -17.23975 27.66126 
1 1 1   -5    3   11 o  2043.01   24.201 11321.69  267.087 11164.13  372.117 11489.10  383.579  2028.43   33.949  2057.60   34.499 -29.16785 48.40192 
1 1 1   -5    3   12 o  645.209   7.9823  1125.13   27.826  1135.68   39.753  1115.00   38.964  648.171   11.350  642.247   11.227 5.924194 15.96470 
1 1 1   -5    3   13 o  426.375   5.6183  491.250   12.943  495.755   18.462  486.895   18.151  428.296   7.9771  424.453   7.9137 3.843414 11.23662 
1 1 1   -5    3   14 o  409.950   5.4600  454.088   12.093  459.578   17.306  448.849   16.905  412.370   7.7664  407.529   7.6765 4.840698 10.92000 
1 1 1   -5    3   15 o  941.626   11.340  2398.74   57.700  2391.11   81.358  2406.46   81.843  940.122   16.015  943.131   16.059 -3.009094 22.67990 
1 1 1   -5    3   16 o  514.735   6.5765  715.987   18.288  725.279   26.207  707.168   25.532  517.987   9.3629  511.482   9.2378 6.505066 13.15297 
1 1 1   -5    3   17 o  788.402   9.6071  1681.58   40.928  1677.41   57.761  1685.78   58.003  787.422   13.575  789.383   13.598 -1.960510 19.21416 
1 1 1   -5    3   18 o  308.925   4.5491  257.917   7.5934  254.916   10.662  261.006   10.817  307.102   6.4250  310.749   6.4418 -3.646606 9.098203 
1 1 1   -5    3   19 o  267.403   4.2359  193.217   6.1198  190.328   8.5658  196.228   8.7465  265.362   5.9737  269.443   6.0073 -4.081055 8.471885 
1 1 1   -5    3   20 o  349.201   4.9414  329.609   9.3237  326.336   13.097  332.972   13.276  347.444   6.9760  350.958   7.0004 -3.513977 9.882819 
1 1 1   -5    3   21 o  541.137   6.8949  792.008   20.160  786.034   28.327  798.139   28.698  539.072   9.7246  543.203   9.7769 -4.131592 13.78972 
1 1 1   -5    3   22 o  995.210   12.036  2683.74   64.682  2738.93   93.544  2633.18   89.536  1004.96   17.226  985.457   16.814 19.50671 24.07147 
1 1 1   -5    3   23 o  550.943   9.8945  821.409   29.433  801.802   40.650  843.018   42.674  544.056   13.827  557.829   14.157 -13.77350 19.78906 
1 1 1   -5    3   25 o  1020.48   24.777  2837.84  136.631  2837.84  136.631   0.0000   0.0000  1020.48   24.777  ?   ?       ?      ? 
1 1 1   -5    3   26 o  470.931   8.8528  600.377   22.527  594.594   31.659  606.306   32.061  468.635   12.502  473.225   12.538 -4.590027 17.70560 
1 1 1   -5    3   27 o  121.407   4.9347   39.818   3.2237   35.021   4.4762   44.987   4.6466  113.813   7.2782  129.001   6.6659 -15.18760 9.869492 
1 1 1   -5    3   28 o  726.798   8.9773  1429.57   35.255  1440.31   50.221  1419.14   49.502  729.484   12.740  724.112   12.651 5.371155 17.95455 
1 1 1   -5    3   29 o  1174.44   14.100  3741.83   89.485  3731.85  126.216  3751.91  126.887  1172.87   19.915  1176.01   19.967 -3.135498 28.20087 
1 1 1   -5    3   30 o  500.624   6.5610  677.680   17.749  675.061   25.034  680.326   25.167  499.652   9.2721  501.596   9.2852 -1.944000 13.12197 
1 1 1   -5    3   31 o  392.065   5.5405  415.518   11.738  413.773   16.572  417.274   16.628  391.239   7.8388  392.891   7.8320 -1.652191 11.08093 
1 1 1   -5    3   32 o  781.293   9.6084  1651.58   40.564  1656.81   57.563  1646.42   57.173  782.519   13.613  780.067   13.563 2.452515 19.21674 
1 1 1   -5    3   33 o  412.576   5.7591  460.155   12.839  457.794   18.121  462.534   18.194  411.513   8.1493  413.639   8.1399 -2.125397 11.51821 
1 1 1   -5    3   34 o  809.065   9.9346  1771.62   43.433  1766.49   61.266  1776.80   61.582  807.890   14.034  810.240   14.065 -2.350403 19.86917 
1 1 1   -5    3   35 o  323.105   5.1636  282.190   9.0152  279.601   12.717  284.806   12.782  321.615   7.3173  324.596   7.2876 -2.980560 10.32721 
1 1 1   -5    3   36 o  438.798   6.1178  520.510   14.505  513.800   20.344  527.447   20.686  435.923   8.6364  441.673   8.6674 -5.750183 12.23568 
1 1 1   -5    3   37 o  455.588   6.3056  560.331   15.507  541.101   21.333  581.873   22.580  447.319   8.8257  463.857   9.0083 -16.53778 12.61123 
1 1 1   -5    3   38 o  202.609   5.6274  110.926   6.1574  112.943   8.8917  109.067   8.5350  204.376   8.0513  200.842   7.8643 3.533981 11.25481 
1 1 1   -5    3   39 o  290.133   5.4105  227.386   8.4786  235.371   12.209  219.949   11.783  295.047   7.6578  285.218   7.6454 9.829559 10.82100 
1 1 1   -5    3   40 o  264.069   7.8760  188.567   11.239   0.0000   0.0000  188.567   11.239  ?   ?   264.069   7.8760      ?      ? 
1 1 1   -5    3   41 o  306.392   5.6506  253.895   9.3541  255.944   13.157  251.800   13.302  307.646   7.9142  305.139   8.0674 2.506195 11.30121 
1 1 1   -5    3   42 f  808.378   10.018  1771.48   43.750  1792.15   62.601  1751.75   61.169  812.969   14.250  803.787   14.083 9.182251 20.03504 
1 1 1   -5    3   43 o  417.994   6.1946  472.735   13.991  472.604   19.862  472.865   19.712  417.934   8.7947  418.053   8.7260 -0.1197205 12.38912 
1 1 1   -5    3   44 o  429.720   6.2585  499.846   14.532  502.666   20.650  497.079   20.455  430.919   8.8682  428.521   8.8334 2.398346 12.51696 
1 1 1   -5    3   45 o  777.716   9.7034  1640.19   40.733  1689.65   59.324  1596.08   56.027  788.734   13.919  766.697   13.523 22.03717 19.40674 
1 1 1   -5    3   46 o  480.485   6.6744  624.917   17.317  639.388   25.066  611.704   23.952  485.786   9.5490  475.184   9.3279 10.60239 13.34889 
1 1 1   -5    3   47 o  269.230   5.5451  196.117   8.0634  202.983   11.614  189.727   11.204  273.775   7.8506  264.686   7.8334 9.088837 11.09027 
1 1 1   -5    3   48 o  365.925   5.8224  362.880   11.511  361.643   16.398  364.081   16.164  365.301   8.3072  366.550   8.1605 -1.248657 11.64486 
1 1 1   -5    3   49 o  256.854   5.6595  178.814   7.8539  174.349   11.038  183.393   11.177  253.601   8.0549  260.106   7.9524 -6.505493 11.31904 
1 1 1   -5    3   50 o  336.140   6.9749  307.220   12.021  307.344   14.828  306.982   20.534  336.566   8.1532  335.715   11.319 0.8511963 13.94975 
1 1 1   -5    3   51 o  577.810   10.811  909.048   33.754   0.0000   0.0000  909.048   33.754  ?   ?   577.810   10.811      ?      ? 
1 1 1   -5    3   52 o  147.329   13.289   59.482   10.579   0.0000   0.0000   59.482   10.579  ?   ?   147.329   13.289      ?      ? 
1 1 1   -5    3   53 o  382.993   11.876  401.577   24.578  401.577   24.578   0.0000   0.0000  382.993   11.876  ?   ?       ?      ? 
1 1 1   -5    3   54 o  155.192   13.695   66.329   11.485   0.0000   0.0000   66.329   11.485  ?   ?   155.192   13.695      ?      ? 
1 1 1   -5    3   55 o  144.524   10.761   58.115   8.3725   64.302   11.922   52.095   11.761  152.312   14.486  136.737   15.917 15.57504 21.52152 
1 1 1   -5    3   56 o  270.956   6.8143  201.527   9.5279  203.000   11.863  198.851   15.992  272.879   8.0453  269.033   11.001 3.845490 13.62866 
1 1 1   -5    3   57 o  285.987   5.6154  223.161   8.6754  222.267   12.405  224.017   12.137  285.390   8.0437  286.583   7.8377 -1.193176 11.23083 
1 1 1   -5    3   58 o   55.245   13.361   7.8106   4.9373   11.622   7.2401   4.4975   6.7503   63.089   19.374   47.402   18.404 15.68650 26.72194 
1 1 1   -5    3   59 o  199.771   6.0680  109.429   6.5497  107.433   9.2488  111.436   9.2767  197.921   8.6478  201.620   8.5147 -3.699310 12.13609 
1 1 1   -5    3   60 o  221.389   5.8775  134.710   7.0169  126.223   9.9936  142.964   9.8547  214.369   8.6273  228.410   7.9844 -14.04135 11.75499 
1 1 1   -5    3   61 o  117.092   8.7228   38.545   5.4887   33.929   7.7395   43.216   7.7851  109.766   13.048  124.419   11.579 -14.65242 17.44550 
1 1 1   -5    3   62 o  206.895   6.0504  117.906   6.7521  119.536   9.8774  116.475   9.2511  208.127   8.7827  205.664   8.3243 2.463348 12.10080 
1 1 1   -5    3   63 o   43.674   12.875   1.9097   5.0806   4.6321   7.5740  -0.3173   6.8504   48.250   19.261   39.098   17.092 9.152073 25.75074 
1 1 1   -5    3   64 o  205.252   6.2027  116.305   6.8674  123.174   10.081  110.357   9.3805  210.844   8.8485  199.659   8.6946 11.18506 12.40531 
1 1 1   -5    3   65 o   56.044   13.940   8.1190   5.5657   14.414   8.2335   2.8217   7.5527   67.230   20.663   44.859   18.717 22.37048 27.87996 
1 1 1   -5    3   66 o   63.444   14.206   13.187   5.6680   9.0025   8.3512   16.761   7.7179   55.324   20.710   71.564   19.449 -16.24032 28.41130 
1 1 1   -5    3   67 o   67.780   14.011   14.887   6.0767   6.1501   8.9603   22.327   8.2689   51.738   20.845   83.822   18.728 -32.08400 28.02193 
1 1 1   -5    3   68 o   55.567   14.774   9.7204   6.0964   7.5265   8.9213   11.643   8.3503   52.159   20.875   58.976   20.912 -6.816467 29.54801 
1 1 1   -5    3   69 o   59.348   15.085   11.908   6.1733   13.900   9.0548   10.178   8.4384   62.774   21.814   55.922   20.841 6.851833 30.16925 
1 1 1   -5    3   70 o  168.863   7.7554   83.492   7.0610   88.061   10.417   79.609   9.6037  172.893   11.150  164.832   10.782 8.061539 15.51088 
1 1 1   -5    4    1 o  774.551   9.4239  1622.13   39.440  1633.13   56.168  1611.43   55.393  777.138   13.375  771.963   13.279 5.175293 18.84771 
1 1 1   -5    4    3 o  1376.71   16.378  5133.85  121.841  5112.31  171.655  5155.71  172.971  1373.80   23.123  1379.61   23.202 -5.806152 32.75694 
1 1 1   -5    4    4 o  830.556   10.064  1864.56   45.149  1898.23   65.026  1833.22   62.735  837.784   14.364  823.328   14.101 14.45636 20.12855 
1 1 1   -5    4    5 f  626.904   7.7669  1062.32   26.309  1053.99   36.936  1070.90   37.483  624.412   10.947  629.396   11.021 -4.984558 15.53375 
1 1 1   -5    4    6 o  984.867   11.835  2623.80   62.982  2629.48   89.291  2618.18   88.849  985.925   16.760  983.808   16.713 2.117126 23.66911 
1 1 1   -5    4    7 o  931.833   11.218  2348.34   56.484  2352.08   80.025  2344.64   79.737  932.571   15.880  931.096   15.848 1.474976 22.43523 
1 1 1   -5    4    8 o  403.961   5.3889  440.919   11.762  436.341   16.484  445.668   16.788  401.825   7.5918  406.096   7.6501 -4.271027 10.77774 
1 1 1   -5    4    9 o  2034.30   24.099 11226.02  264.859 11101.34  370.209 11356.74  379.082  2022.79   33.869  2045.82   34.291 -23.02979 48.19759 
1 1 1   -5    4   10 o  740.614   9.0440  1482.80   36.193  1474.23   50.900  1491.56   51.473  738.452   12.756  742.775   12.824 -4.323547 18.08794 
1 1 1   -5    4   11 o  781.378   9.5116  1650.70   40.159  1642.12   56.509  1659.45   57.083  779.329   13.419  783.427   13.484 -4.098022 19.02322 
1 1 1   -5    4   12 o  1264.11   15.068  4325.37  102.914  4287.55  144.216  4364.61  146.906  1258.49   21.207  1269.73   21.411 -11.23560 30.13586 
1 1 1   -5    4   13 o  885.031   10.701  2115.78   51.119  2176.60   74.422  2061.45   70.337  897.041   15.353  873.020   14.910 24.02161 21.40152 
1 1 1   -5    4   14 o  614.443   7.6601  1020.52   25.431  1010.53   35.661  1030.85   36.275  611.387   10.794  617.499   10.871 -6.111938 15.32011 
1 1 1   -5    4   15 o  1378.36   16.414  5143.07  122.162  5031.52  168.816  5265.70  177.002  1362.73   22.925  1393.98   23.498 -31.25208 32.82881 
1 1 1   -5    4   16 o  577.968   7.2668  901.766   22.670  875.173   31.181  931.582   33.018  568.948   10.142  586.987   10.410 -18.03882 14.53357 
1 1 1   -5    4   17 o  944.207   11.399  2414.31   58.160  2401.00   81.859  2427.88   82.648  941.584   16.089  946.830   16.154 -5.246460 22.79890 
1 1 1   -5    4   18 o  721.561   8.8734  1406.80   34.556  1366.11   47.468  1452.68   50.402  710.495   12.364  732.627   12.731 -22.13232 17.74683 
1 1 1   -5    4   19 o  535.847   6.8328  775.862   19.772  757.454   27.370  795.952   28.593  529.211   9.5711  542.482   9.7540 -13.27124 13.66556 
1 1 1   -5    4   20 o  341.644   4.8938  315.533   9.0345  313.726   12.756  317.352   12.797  340.663   6.9295  342.626   6.9122 -1.963623 9.787565 
1 1 1   -5    4   21 o  834.125   10.159  1884.61   45.788  1880.08   64.622  1889.18   64.887  833.120   14.354  835.131   14.379 -2.011169 20.31726 
1 1 1   -5    4   22 o  160.460   5.4035   69.472   4.6803   73.176   6.8053   66.149   6.4470  164.508   7.6555  156.411   7.6279 8.097733 10.80699 
1 1 1   -5    4   23 o  365.167   10.161  360.811   20.050  360.811   20.050   0.0000   0.0000  365.167   10.161  ?   ?       ?      ? 
1 1 1   -5    4   24 o  724.118   17.988  1423.42   70.386  1423.42   70.386   0.0000   0.0000  724.118   17.988  ?   ?       ?      ? 
1 1 1   -5    4   25 o  600.503   10.779  977.265   34.976  969.144   49.168  985.586   49.766  597.981   15.216  603.026   15.272 -5.044128 21.55868 
1 1 1   -5    4   26 o  462.167   7.5828  577.829   17.771  578.378   31.066  577.561   21.667  462.210   12.438  462.123   8.6766 0.8786011E-01 15.16560 
1 1 1   -5    4   27 o  523.101   6.7627  739.955   19.113  731.508   26.755  748.757   27.313  520.055   9.5208  526.146   9.6069 -6.090454 13.52544 
1 1 1   -5    4   28 f  504.349   6.5918  687.781   17.963  680.786   25.188  695.021   25.625  501.741   9.2900  506.957   9.3543 -5.215393 13.18362 
1 1 1   -5    4   29 f  494.795   6.5102  661.992   17.406  657.723   24.495  666.345   24.737  493.185   9.1915  496.405   9.2220 -3.220673 13.02032 
1 1 1   -5    4   30 o  713.226   8.8474  1376.29   34.098  1373.62   48.116  1378.99   48.327  712.531   12.497  713.921   12.527 -1.389771 17.69474 
1 1 1   -5    4   31 o  993.032   12.012  2670.39   64.459  2672.17   91.236  2668.61   91.081  993.362   16.997  992.703   16.979 0.6586914 24.02481 
1 1 1   -5    4   32 o  105.175   6.5698   29.905   3.6834   36.823   5.3593   23.710   5.0710  116.710   8.4979   93.641   10.022 23.06947 13.13959 
1 1 1   -5    4   33 o  774.614   9.5496  1623.65   39.971  1614.76   56.246  1632.72   56.812  772.474   13.475  776.753   13.535 -4.278198 19.09912 
1 1 1   -5    4   34 o  490.726   6.5418  651.124   17.347  648.352   24.518  653.904   24.547  489.680   9.2659  491.773   9.2372 -2.093353 13.08368 
1 1 1   -5    4   35 o  1026.94   12.425  2857.32   68.947  2862.16   97.731  2852.53   97.282  1027.80   17.597  1026.07   17.545 1.723267 24.84937 
1 1 1   -5    4   36 o  589.946   7.5998  941.354   24.226  932.555   34.033  950.393   34.493  587.154   10.726  592.740   10.769 -5.585938 15.19970 
1 1 1   -5    4   37 o  543.296   7.1474  797.274   20.963  772.471   28.876  824.910   30.480  534.383   10.000  552.209   10.215 -17.82617 14.29484 
1 1 1   -5    4   39 f  522.635   7.0098  738.838   19.795  731.499   27.796  746.390   28.198  520.003   9.8921  525.266   9.9346 -5.263123 14.01963 
1 1 1   -5    4   40 o  354.734   5.8439  340.143   11.198  346.594   16.088  334.080   15.597  357.993   8.3166  351.476   8.2121 6.517883 11.68773 
1 1 1   -5    4   42 o  351.344   5.8653  333.893   11.133  336.160   15.921  331.723   15.575  352.508   8.3580  350.180   8.2311 2.327454 11.73060 
1 1 1   -5    4   43 o  276.657   5.6619  207.098   8.4624  204.515   12.047  209.614   11.890  274.949   8.1083  278.364   7.9046 -3.415619 11.32373 
1 1 1   -5    4   44 o  436.892   6.3118  516.737   14.900  518.676   21.208  514.847   20.938  437.698   8.9669  436.087   8.8854 1.610413 12.62360 
1 1 1   -5    4   45 o  521.227   7.0618  735.557   19.878  750.062   28.710  722.201   27.549  526.143   10.098  516.310   9.8745 9.832458 14.12361 
1 1 1   -5    4   46 o  251.068   5.7031  170.619   7.7277  171.650   11.226  169.691   10.653  251.776   8.2516  250.360   7.8747 1.415848 11.40617 
1 1 1   -5    4   47 o  203.098   6.0022  112.113   6.5641  106.440   9.5358  117.223   9.0495  198.170   8.9049  208.026   8.0504 -9.855865 12.00447 
1 1 1   -5    4   48 o  308.358   5.6317  257.303   9.3742  264.904   13.636  250.493   12.908  312.658   8.0711  304.058   7.8562 8.599518 11.26335 
1 1 1   -5    4   49 o  304.323   6.7972  247.976   10.562  241.055   12.883  262.162   18.445  298.174   7.9959  310.472   10.994 -12.29791 13.59433 
1 1 1   -5    4   50 o   58.507   14.553   3.3652   5.7497   17.777   11.020  -2.0259   6.7399   79.175   23.817   37.838   16.732 41.33764 29.10668 
1 1 1   -5    4   51 o  212.927   11.328  123.581   13.034   0.0000   0.0000  123.581   13.034  ?   ?   212.927   11.328      ?      ? 
1 1 1   -5    4   52 o  180.552   8.6741   89.467   8.4320   81.486   12.000   97.252   11.851  172.458   12.876  188.646   11.626 -16.18781 17.34814 
1 1 1   -5    4   53 o   70.778   14.560   15.029   6.1081   18.721   7.5857   8.2207   10.301   80.518   17.899   61.037   22.971 19.48079 29.12097 
1 1 1   -5    4   54 o  461.388   9.4967  586.155   23.672  570.270   33.367  602.252   33.589  455.004   13.571  467.773   13.288 -12.76929 18.99337 
1 1 1   -5    4   55 o  186.050   12.520   95.405   12.587   0.0000   0.0000   95.405   12.587  ?   ?   186.050   12.520      ?      ? 
1 1 1   -5    4   56 o  372.240   7.2649  377.280   13.808  371.793   16.903  388.288   23.941  369.078   8.4751  375.401   11.802 -6.323425 14.52980 
1 1 1   -5    4   57 o  334.108   6.9909  309.474   12.102  318.028   15.230  294.820   19.934  341.218   8.2598  326.998   11.281 14.21948 13.98173 
1 1 1   -5    4   58 o  247.892   5.7418  167.486   7.6781  179.102   11.255  157.372   10.501  255.898   8.1391  239.887   8.1012 16.01137 11.48365 
1 1 1   -5    4   59 o  143.738   7.3487   56.756   5.6857   64.203   8.3708   50.377   7.7471  152.513   10.157  134.962   10.623 17.55063 14.69732 
1 1 1   -5    4   60 f  320.944   5.8002  282.540   10.058  281.093   14.301  283.956   14.149  320.092   8.2678  321.795   8.1370 -1.702759 11.60034 
1 1 1   -5    4   61 o  263.200   5.7119  189.936   8.1161  198.398   11.793  182.320   11.187  268.737   8.1207  257.663   8.0349 11.07431 11.42389 
1 1 1   -5    4   62 o   79.481   11.739   18.829   5.3765   33.602   7.8610   5.8449   7.3697  108.799   13.371   50.164   19.298 58.63518 23.47784 
1 1 1   -5    4   63 o  157.751   7.1030   69.518   6.0240   65.887   8.8227   72.689   8.2451  153.602   10.630  161.900   9.4246 -8.297882 14.20601 
1 1 1   -5    4   64 o   85.700   12.200   23.495   5.5419   12.683   8.0784   33.108   7.6168   63.779   20.587  107.620   13.098 -43.84130 24.39990 
1 1 1   -5    4   65 o  122.350   9.0671   43.266   5.9289   37.845   8.6075   48.161   8.1785  114.364   13.928  130.336   11.612 -15.97192 18.13419 
1 1 1   -5    4   66 o   46.162   13.584   3.2470   5.6492   6.4696   8.4004   0.5864   7.6329   51.087   20.319   41.236   18.034 9.851784 27.16713 
1 1 1   -5    4   68 f  188.133   7.2003  102.523   7.2582   92.002   10.539  112.015   10.011  177.981   10.958  198.284   9.3429 -20.30315 14.40056 
1 1 1   -5    4   69 o   84.026   13.800   23.540   6.1200   27.392   9.2946   20.592   8.1316   90.096   19.645   77.956   19.385 12.14027 27.59924 
1 1 1   -5    4   70 o   63.824   14.995   14.952   6.1374   20.116   9.2481   10.887   8.2046   72.351   21.831   55.297   20.562 17.05399 29.98961 
1 1 1   -5    5    1 o  698.380   8.6461  1317.14   32.601  1352.74   47.298  1284.91   44.997  707.356   12.374  689.405   12.079 17.95050 17.29211 
1 1 1   -5    5    2 o  875.761   10.589  2073.97   50.107  2086.75   71.332  2061.53   70.402  878.420   15.028  873.102   14.922 5.318481 21.17786 
1 1 1   -5    5    4 o  935.476   11.280  2366.63   57.018  2378.37   81.142  2355.19   80.139  937.763   16.013  933.189   15.892 4.574280 22.56032 
1 1 1   -5    5    5 o  2390.06   28.332 15527.57  365.908 15527.33  517.542 15527.80  517.403  2390.04   40.073  2390.08   40.062 -0.3979492E-01 56.66383 
1 1 1   -5    5    6 o  1176.22   14.048  3740.19   89.226  3825.01  129.115  3662.65  123.444  1188.95   20.097  1163.48   19.635 25.46814 28.09622 
1 1 1   -5    5    7 o  1309.21   15.594  4639.06  110.316  4660.08  156.731  4618.43  155.301  1312.14   22.105  1306.27   22.001 5.866699 31.18795 
1 1 1   -5    5    8 f  988.297   11.881  2641.72   63.450  2640.24   89.703  2643.21   89.761  988.020   16.802  988.574   16.803 -0.5542603 23.76230 
1 1 1   -5    5    9 o  1077.33   12.914  3138.94   75.162  3180.78  107.742  3099.27  104.905  1084.31   18.388  1070.35   18.138 13.96558 25.82837 
1 1 1   -5    5   10 o  879.577   10.638  2092.22   50.560  2093.90   71.577  2090.55   71.428  879.929   15.054  879.225   15.034 0.7041016 21.27526 
1 1 1   -5    5   11 o  340.273   4.8297  312.642   8.8754  320.284   12.818  305.604   12.301  344.264   6.8906  336.283   6.7694 7.980621 9.659418 
1 1 1   -5    5   12 o  523.066   6.6721  739.486   18.858  733.725   26.514  745.382   26.826  521.005   9.4178  525.127   9.4536 -4.121582 13.34418 
1 1 1   -5    5   13 o  369.233   5.1085  368.279   10.190  361.138   14.214  375.831   14.616  365.552   7.1956  372.914   7.2535 -7.361481 10.21708 
1 1 1   -5    5   14 o  551.069   6.9871  820.910   20.806  817.824   29.367  824.020   29.481  550.029   9.8807  552.109   9.8817 -2.079834 13.97414 
1 1 1   -5    5   15 o  421.624   5.6355  480.327   12.835  486.959   18.427  474.076   17.889  424.448   8.0341  418.799   7.9049 5.649445 11.27095 
1 1 1   -5    5   16 o  550.452   7.0059  818.805   20.829  801.494   28.926  837.447   30.017  544.417   9.8327  556.487   9.9823 -12.06934 14.01171 
1 1 1   -5    5   17 o  672.592   8.3335  1224.03   30.287  1227.27   42.988  1220.84   42.680  673.472   11.812  671.711   11.758 1.761047 16.66707 
1 1 1   -5    5   18 o  298.305   6.4048  240.533   10.324   0.0000   0.0000  240.533   10.324  ?   ?   298.305   6.4048      ?      ? 
1 1 1   -5    5   19 o  145.891   4.0677   57.695   3.1952   52.355   4.5380   62.945   4.4997  139.174   6.0342  152.608   5.4565 -13.43373 8.135390 
1 1 1   -5    5   20 o  969.824   11.720  2549.69   61.419  2539.12   86.538  2560.41   87.184  967.805   16.547  971.842   16.602 -4.036804 23.44003 
1 1 1   -5    5   21 o  331.783   6.7406  297.179   12.068  308.559   17.638  287.162   16.548  337.738   9.6647  325.828   9.3988 11.90964 13.48128 
1 1 1   -5    5   22 o  294.431   6.3531  234.045   10.097  243.694   14.710  225.451   13.883  300.155   9.0692  288.708   8.8992 11.44745 12.70611 
1 1 1   -5    5   23 f  771.729   19.095  1617.79   79.628  1617.79   79.628   0.0000   0.0000  771.729   19.095  ?   ?       ?      ? 
1 1 1   -5    5   24 o  1014.07   17.424  2801.02   95.454  2833.33  136.699  2770.27  133.350  1019.72   24.808  1008.42   24.472 11.29724 34.84705 
1 1 1   -5    5   25 o  254.047   6.5446  174.644   8.9806  170.631   12.781  178.559   12.622  251.158   9.4172  256.936   9.0909 -5.778641 13.08926 
1 1 1   -5    5   26 o  851.771   10.389  1965.47   47.818  1967.36   67.722  1963.60   67.528  852.176   14.707  851.367   14.678 0.8092041 20.77835 
1 1 1   -5    5   27 o  532.295   6.8785  765.960   19.779  752.586   27.555  780.173   28.407  527.508   9.6669  537.082   9.7880 -9.574463 13.75695 
1 1 1   -5    5   28 o  251.203   4.5317  170.583   6.1506  167.468   8.7041  173.691   8.6925  248.911   6.4713  253.495   6.3458 -4.584473 9.063468 
1 1 1   -5    5   29 o  688.740   8.5794  1282.81   31.918  1261.74   44.419  1305.29   45.896  682.905   12.037  694.575   12.228 -11.67004 17.15876 
1 1 1   -5    5   30 o  998.677   12.078  2700.86   65.172  2676.57   91.363  2726.02   92.992  994.117   17.008  1003.24   17.154 -9.120178 24.15587 
1 1 1   -5    5   31 o  386.776   5.5692  404.375   11.640  404.606   16.495  404.146   16.426  386.885   7.8902  386.666   7.8617 0.2190857 11.13834 
1 1 1   -5    5   32 o  579.326   7.4381  907.587   23.284  910.933   33.124  904.319   32.736  580.379   10.562  578.273   10.476 2.106384 14.87624 
1 1 1   -5    5   33 f  189.907   4.9311   97.414   5.0551   98.920   7.3389   96.054   6.9732  191.301   7.0995  188.513   6.8455 2.788727 9.862206 
1 1 1   -5    5   34 o  258.177   4.9393  180.095   6.8878  182.565   9.9143  177.790   9.5762  259.887   7.0597  256.467   6.9099 3.419281 9.878609 
1 1 1   -5    5   35 o  530.477   6.9778  761.018   20.002  759.216   28.287  762.821   28.287  529.849   9.8798  531.106   9.8564 -1.257446 13.95559 
1 1 1   -5    5   36 o  683.627   8.6023  1264.67   31.777  1256.65   44.705  1272.86   45.177  681.439   12.141  685.814   12.191 -4.375000 17.20469 
1 1 1   -5    5   37 o  742.244   9.2555  1491.04   37.112  1468.52   51.741  1514.90   53.260  736.485   13.001  748.002   13.177 -11.51752 18.51108 
1 1 1   -5    5   38 o  325.945   5.6462  286.791   9.9364  300.166   14.402  274.641   13.727  333.185   7.9993  318.705   7.9706 14.48032 11.29242 
1 1 1   -5    5   39 o  1067.95   12.950  3094.21   74.707  3048.61  104.111  3142.60  107.262  1059.88   18.178  1076.02   18.447 -16.14209 25.89909 
1 1 1   -5    5   40 o  515.631   7.0370  717.371   19.575  686.162   26.762  753.279   28.706  503.612   9.8341  527.651   10.068 -24.03906 14.07390 
1 1 1   -5    5   41 o  563.123   7.4879  858.332   22.784  851.305   32.077  865.487   32.369  560.797   10.585  565.448   10.594 -4.650940 14.97572 
1 1 1   -5    5   42 o  408.017   6.1424  449.769   13.533  432.655   18.717  468.516   19.590  399.897   8.6614  416.136   8.7118 -16.23959 12.28475 
1 1 1   -5    5   43 o  533.367   7.1724  769.680   20.661  749.887   28.658  791.102   29.814  526.240   10.078  540.493   10.208 -14.25226 14.34474 
1 1 1   -5    5   44 o  601.665   7.8301  981.223   25.457  977.763   35.960  984.699   36.044  600.600   11.080  602.729   11.067 -2.128967 15.66029 
1 1 1   -5    5   45 o  671.418   8.5686  1223.17   31.088  1218.37   43.915  1227.99   44.014  670.095   12.128  672.740   12.108 -2.644775 17.13717 
1 1 1   -5    5   46 o  433.223   6.3154  508.074   14.774  519.487   21.373  497.631   20.446  437.864   9.0331  428.582   8.8283 9.282318 12.63077 
1 1 1   -5    5   47 o  990.804   12.180  2685.01   65.207  2704.28   92.984  2666.36   91.469  994.244   17.307  987.364   17.144 6.880127 24.36087 
1 1 1   -5    5   48 o  428.701   7.7134  499.699   16.901  500.352   20.780  498.423   29.047  429.512   8.9534  427.890   12.563 1.621704 15.42683 
1 1 1   -5    5   49 o  242.783   5.7523  159.945   7.5232  159.017   11.065  160.742   10.259  242.090   8.4587  243.476   7.7977 -1.386246 11.50451 
1 1 1   -5    5   50 o  308.046   10.896  258.333   18.136   0.0000   0.0000  258.333   18.136  ?   ?   308.046   10.896      ?      ? 
1 1 1   -5    5   51 f  327.683   7.8499  292.704   13.897  284.910   19.544  300.676   19.765  323.248   11.189  332.118   11.013 -8.870453 15.69989 
1 1 1   -5    5   52 o  136.426   8.9156   49.650   6.4330   44.879   8.1528   57.523   10.472  128.092   11.779  144.759   13.387 -16.66727 17.83118 
1 1 1   -5    5   53 o  449.014   7.9502  551.670   18.273  552.068   22.510  550.901   31.294  450.140   9.2540  447.888   12.930 2.252136 15.90045 
1 1 1   -5    5   54 o  361.220   8.5193  357.241   16.577  370.270   24.596  346.396   22.439  367.068   12.400  355.372   11.685 11.69577 17.03858 
1 1 1   -5    5   55 o  281.929   11.320  218.423   17.245   0.0000   0.0000  218.423   17.245  ?   ?   281.929   11.320      ?      ? 
1 1 1   -5    5   56 o  200.693   7.3548  113.008   7.4678  103.131   12.762  118.151   9.2090  193.283   12.219  208.103   8.1893 -14.82039 14.70952 
1 1 1   -5    5   57 o  218.097   7.0116  131.452   8.0292  134.190   10.277  127.162   12.863  221.477   8.5874  214.716   11.086 6.760864 14.02326 
1 1 1   -5    5   58 o  196.334   6.2859  105.325   6.6561  114.364   9.7295   97.374   9.1257  204.248   8.8155  188.420   8.9630 15.82735 12.57172 
1 1 1   -5    5   59 o   53.836   12.411   6.3501   5.0693  -3.4440   7.4459   14.812   6.9210   37.395   16.974   70.276   18.111 -32.88126 24.82190 
1 1 1   -5    5   60 o  228.883   5.8749  143.226   7.2514  153.334   10.672  134.556   9.8834  236.334   8.3566  221.431   8.2600 14.90292 11.74989 
1 1 1   -5    5   61 o   56.605   13.478   8.4618   5.0807   13.507   7.5729   4.3324   6.8514   66.529   19.683   46.680   18.418 19.84829 26.95662 
1 1 1   -5    5   62 o  245.194   5.9038  166.138   7.7990  159.052   11.314  172.554   10.766  239.975   8.7248  250.413   7.9559 -10.43742 11.80759 
1 1 1   -5    5   63 o  129.674   8.3657   46.810   5.8286   53.894   8.7616   41.187   7.8065  138.429   11.713  120.918   11.948 17.51031 16.73137 
1 1 1   -5    5   64 o  185.652   6.8005   96.646   6.7759   90.067   9.9489  102.338   9.2540  179.322   10.267  191.982   8.9204 -12.66011 13.60109 
1 1 1   -5    5   65 o  133.235   8.7192   52.099   6.0909   41.964   9.1015   60.320   8.1971  120.094   14.025  146.377   10.363 -26.28262 17.43850 
1 1 1   -5    5   66 o   74.980   13.605   18.701   5.8536   11.230   8.5459   25.304   8.0344   59.749   21.159   90.210   17.108 -30.46047 27.21015 
1 1 1   -5    5   67 o  193.107   7.0299  105.201   7.3020  100.951   10.708  108.895   9.9831  189.024   10.483  197.190   9.3690 -8.165375 14.05988 
1 1 1   -5    5   68 o  159.021   8.0029   74.042   6.8611   77.091   10.117   71.446   9.3363  161.753   11.575  156.289   11.055 5.464172 16.00575 
1 1 1   -5    5   69 o  150.380   8.2658   65.480   6.6717   71.072   10.169   61.254   8.8405  155.567   12.097  145.194   11.268 10.37357 16.53156 
1 1 1   -5    6    4 o  1087.04   13.024  3196.54   76.502  3207.82  108.596  3185.43  107.789  1088.94   18.455  1085.14   18.382 3.801880 26.04816 
1 1 1   -5    6    6 o  1254.29   14.974  4257.91  101.493  4251.22  143.335  4264.63  143.733  1253.31   21.164  1255.28   21.190 -1.973511 29.94901 
1 1 1   -5    6    7 o  1047.93   12.600  2970.07   71.337  3003.58  102.088  2938.09   99.724  1053.70   17.930  1042.16   17.708 11.53467 25.20026 
1 1 1   -5    6    8 o  441.348   5.8510  526.430   13.954  527.325   19.817  525.549   19.651  441.720   8.3024  440.977   8.2467 0.7437134 11.70208 
1 1 1   -5    6    9 o  1201.27   14.361  3904.28   93.180  3970.82  134.092  3842.14  129.577  1211.14   20.489  1191.40   20.127 19.74597 28.72106 
1 1 1   -5    6   10 o  895.653   10.838  2169.34   52.444  2195.21   75.083  2144.70   73.283  900.858   15.424  890.448   15.230 10.41003 21.67620 
1 1 1   -5    6   11 o  430.580   5.7732  500.916   13.429  507.702   19.276  494.517   18.718  433.411   8.2305  427.749   8.0981 5.662170 11.54645 
1 1 1   -5    6   12 o  613.341   7.6757  1016.95   25.438  1009.58   35.775  1024.49   36.179  611.093   10.834  615.590   10.876 -4.496948 15.35143 
1 1 1   -5    6   13 o  651.972   8.1014  1148.94   28.533  1165.05   40.951  1133.73   39.778  656.410   11.545  647.534   11.368 8.875610 16.20279 
1 1 1   -5    6   14 o  772.411   9.4525  1613.91   39.450  1625.91   56.245  1602.30   55.347  775.231   13.426  769.591   13.309 5.640747 18.90499 
1 1 1   -5    6   15 o  920.642   11.148  2294.36   55.437  2257.72   77.135  2333.52   79.731  913.060   15.634  928.223   15.896 -15.16315 22.29554 
1 1 1   -5    6   16 o  492.695   6.4051  656.191   17.049  645.357   23.797  667.615   24.437  488.521   9.0147  496.870   9.1015 -8.348755 12.81026 
1 1 1   -5    6   17 o  329.201   4.8306  292.916   8.5925  288.040   12.074  297.917   12.230  326.426   6.8453  331.976   6.8177 -5.550018 9.661248 
1 1 1   -5    6   18 o  193.984   4.0641  101.759   4.2580   98.987   6.0575  104.466   5.9865  191.370   5.8577  196.598   5.6352 -5.228348 8.128234 
1 1 1   -5    6   19 o  359.623   6.1901  352.847   11.504  338.964   19.135  360.705   14.395  353.983   10.004  365.263   7.2934 -11.28006 12.38018 
1 1 1   -5    6   20 o  369.944   7.2752  370.254   14.542  371.396   20.716  369.144   20.419  370.503   10.347  369.384   10.230 1.119446 14.55032 
1 1 1   -5    6   21 o  590.791   10.523  945.555   33.583  959.234   48.209  932.658   46.810  594.927   14.996  586.655   14.766 8.271912 21.04547 
1 1 1   -5    6   22 o  515.935   9.5417  720.164   26.602  720.164   26.602   0.0000   0.0000  515.935   9.5417  ?   ?       ?      ? 
1 1 1   -5    6   23 o  358.350   7.5106  347.496   14.543  342.342   20.513  352.703   20.620  355.676   10.673  361.023   10.570 -5.347382 15.02110 
1 1 1   -5    6   24 o  674.114   11.963  1232.38   43.573  1236.49   61.989  1228.38   61.262  675.212   16.990  673.016   16.845 2.195862 23.92507 
1 1 1   -5    6   25 o  540.893   8.6379  784.571   23.422  811.712   42.180  772.473   28.162  547.407   14.260  534.379   9.7528 13.02740 17.27585 
1 1 1   -5    6   26 o  183.739   4.4267   91.266   4.3888   84.951   6.1587   97.782   6.2558  177.278   6.4291  190.200   6.0867 -12.92166 8.853302 
1 1 1   -5    6   27 o  313.625   4.8717  265.424   8.2490  253.831   11.389  278.217   11.964  306.434   6.8781  320.816   6.9011 -14.38214 9.743366 
1 1 1   -5    6   28 o  863.347   10.538  2018.21   49.162  2013.37   69.376  2023.09   69.676  862.309   14.889  864.385   14.917 -2.075378 21.07610 
1 1 1   -5    6   29 o  522.995   6.8293  739.469   19.298  730.513   27.036  748.771   27.554  519.769   9.6261  526.221   9.6901 -6.452271 13.65869 
1 1 1   -5    6   30 o  451.900   6.1494  552.082   15.016  549.789   21.251  554.368   21.221  450.962   8.7207  452.838   8.6724 -1.875763 12.29883 
1 1 1   -5    6   31 o  900.950   10.975  2197.35   53.430  2195.27   75.541  2199.44   75.580  900.523   15.524  901.377   15.517 -0.8538818 21.94942 
1 1 1   -5    6   32 o  459.310   6.2631  569.702   15.533  553.459   21.465  587.557   22.506  452.448   8.7797  466.171   8.9343 -13.72372 12.52614 
1 1 1   -5    6   33 f  869.354   10.630  2044.78   49.913  2007.02   69.308  2085.46   71.940  861.037   14.896  877.671   15.169 -16.63422 21.25992 
1 1 1   -5    6   34 o  156.693   5.5355   66.325   4.6835   67.573   6.7789   65.186   6.4783  158.101   7.9349  155.285   7.7204 2.815384 11.07100 
1 1 1   -5    6   35 o  987.467   11.987  2640.28   63.922  2586.69   88.588  2698.50   92.328  977.050   16.779  997.884   17.122 -20.83356 23.97325 
1 1 1   -5    6   36 o  229.221   5.3689  142.197   6.6405  139.046   9.5887  145.101   9.2053  226.774   7.8249  231.669   7.3533 -4.894867 10.73777 
1 1 1   -5    6   37 o  1029.26   12.491  2872.86   69.469  2881.27   98.602  2864.57   97.889  1030.75   17.703  1027.77   17.626 2.973633 24.98121 
1 1 1   -5    6   38 o  384.336   5.9556  399.187   12.364  387.080   17.235  412.025   17.748  378.335   8.4305  390.336   8.4144 -12.00089 11.91115 
1 1 1   -5    6   39 o  122.847   8.6116   41.068   5.6815   38.504   8.3473   43.281   7.7551  119.240   12.955  126.454   11.349 -7.214310 17.22314 
1 1 1   -5    6   40 o  237.347   5.9585  152.400   7.6283  140.687   10.701  164.501   10.877  228.065   8.6835  246.629   8.1615 -18.56390 11.91694 
1 1 1   -5    6   41 o  555.467   7.4079  835.177   22.234  825.651   31.226  844.972   31.665  552.256   10.464  558.678   10.489 -6.421631 14.81573 
1 1 1   -5    6   42 o  584.951   7.6881  926.524   24.301  921.577   34.263  931.531   34.471  583.380   10.869  586.521   10.876 -3.141174 15.37615 
1 1 1   -5    6   43 o  877.822   10.831  2093.51   51.365  2118.16   73.557  2070.05   71.758  882.831   15.419  872.814   15.215 10.01666 21.66182 
1 1 1   -5    6   44 o  287.631   5.7032  223.988   8.8608  221.171   12.662  226.692   12.404  285.849   8.1974  289.413   7.9316 -3.563080 11.40646 
1 1 1   -5    6   45 o  525.491   7.1211  748.339   20.217  752.585   28.910  744.276   28.283  526.936   10.153  524.045   9.9876 2.890137 14.24215 
1 1 1   -5    6   46 f  419.266   6.2413  476.370   14.138  475.031   20.158  477.666   19.834  418.674   8.9101  419.857   8.7421 -1.183472 12.48256 
1 1 1   -5    6   47 o  139.447   9.5207   50.129   6.8891   43.578   8.4338   63.266   11.943  126.577   12.330  152.317   14.510 -25.74004 19.04147 
1 1 1   -5    6   48 o  112.168   11.407   33.524   6.6572   31.229   8.2399   37.838   11.297  106.952   14.258  117.385   17.810 -10.43256 22.81392 
1 1 1   -5    6   49 o  176.592   12.185   85.045   11.628   0.0000   0.0000   85.045   11.628  ?   ?   176.592   12.185      ?      ? 
1 1 1   -5    6   50 o  512.176   9.8840  716.391   27.316  744.820   39.954  691.441   37.430  521.605   14.175  502.748   13.778 18.85657 19.76801 
1 1 1   -5    6   51 o  329.066   6.8938  292.252   11.753  286.087   14.600  303.604   19.812  324.511   8.3260  333.622   10.990 -9.110474 13.78755 
1 1 1   -5    6   52 o   89.989   10.914   22.788   5.1670   21.367   7.4983   24.073   7.1300   86.452   16.655   93.527   14.108 -7.075203 21.82719 
1 1 1   -5    6   53 o  316.495   7.0447  270.476   11.416  264.483   13.988  282.432   19.758  311.783   8.3025  321.206   11.383 -9.423218 14.08938 
1 1 1   -5    6   54 o  161.161   9.9393   70.743   8.5886   81.667   13.159   62.635   11.336  171.804   14.174  150.518   13.938 21.28604 19.87863 
1 1 1   -5    6   55 f  159.090   10.585   69.181   9.0050   80.023   14.024   61.577   11.746  169.384   15.322  148.797   14.609 20.58742 21.17053 
1 1 1   -5    6   56 o  318.612   6.8806  276.343   11.158  283.784   19.461  272.699   13.618  321.044   11.218  316.179   7.9705 4.864899 13.76127 
1 1 1   -5    6   57 o  227.482   6.9954  140.784   8.0671  146.599   14.222  138.025   9.7953  230.251   11.431  224.713   8.0668 5.537964 13.99072 
1 1 1   -5    6   58 o  148.141   8.7520   62.049   6.8173   66.173   8.8789   56.126   10.641  154.804   10.614  141.478   13.919 13.32677 17.50396 
1 1 1   -5    6   59 o   38.029   12.041  -2.7242   5.1924  -6.0284   7.6457   0.1043   7.0740   35.313   16.445   40.746   17.593 -5.433811 24.08248 
1 1 1   -5    6   60 o   99.783   11.097   30.459   5.4683   18.940   7.9994   40.563   7.4923   78.939   18.986  120.626   11.494 -41.68736 22.19404 
1 1 1   -5    6   61 o  181.988   6.4726   91.058   6.3263   95.483   9.5741   87.629   8.4284  185.719   9.5401  178.257   8.7500 7.461945 12.94513 
1 1 1   -5    6   62 o  115.430   9.2407   37.879   5.7257   37.385   8.5611   38.279   7.7017  114.404   13.848  116.456   12.239 -2.051796 18.48142 
1 1 1   -5    6   63 o  234.561   6.0665  151.312   7.6622  160.311   11.430  143.969   10.326  240.738   8.7863  228.385   8.3671 12.35268 12.13292 
1 1 1   -5    6   64 o   63.826   14.368   12.852   5.5758   11.619   8.6735   13.720   7.2791   61.610   21.353   66.042   19.230 -4.431999 28.73524 
1 1 1   -5    6   65 o  206.430   6.4352  118.563   7.1403  125.548   10.772  113.087   9.5367  211.568   9.4220  201.291   8.7677 10.27737 12.87038 
1 1 1   -5    6   66 o   90.847   12.424   24.889   5.9260   34.381   9.0695   17.817   7.8281  107.453   15.620   74.242   19.325 33.21053 24.84824 
1 1 1   -5    6   67 o  173.111   7.4253   85.297   6.9029   82.242   10.224   87.856   9.3576  169.728   11.148  176.494   9.8118 -6.766327 14.85070 
1 1 1   -5    6   68 o  117.016   9.9846   41.886   6.2614   40.872   9.3666   42.705   8.4189  114.763   15.104  119.269   13.063 -4.505371 19.96917 
1 1 1   -5    6   69 o   69.947   14.473   17.171   5.9557   23.267   8.9436   12.314   7.9833   80.869   20.453   59.025   20.484 21.84361 28.94653 
1 1 1   -5    7    3 o  562.220   7.1448  854.296   21.704  860.483   30.943  848.304   30.452  564.222   10.149  560.217   10.059 4.005249 14.28958 
1 1 1   -5    7    4 o  583.024   7.3714  918.819   23.223  917.799   32.815  919.843   32.870  582.700   10.422  583.348   10.428 -0.6481323 14.74287 
1 1 1   -5    7    7 o  1402.14   16.703  5325.96  126.549  5348.30  179.794  5304.02  178.152  1405.04   23.681  1399.23   23.562 5.810547 33.40593 
1 1 1   -5    7    8 o  684.013   8.4760  1264.80   31.324  1277.60   44.766  1252.53   43.845  687.400   12.052  680.625   11.921 6.774353 16.95192 
1 1 1   -5    7    9 o  255.338   4.3059  175.894   5.9351  182.525   8.6362  169.959   8.1701  259.890   6.1496  250.786   6.0289 9.104660 8.611897 
1 1 1   -5    7   10 o  390.636   5.4126  412.368   11.425  407.434   16.054  417.430   16.262  388.269   7.6517  393.003   7.6573 -4.733917 10.82514 
1 1 1   -5    7   11 o  504.372   6.5337  687.617   17.806  691.202   25.353  684.127   25.014  505.668   9.2784  503.075   9.2014 2.592590 13.06734 
1 1 1   -5    7   12 o  956.835   11.575  2477.14   59.826  2437.99   83.300  2518.84   85.977  949.044   16.243  964.625   16.494 -15.58112 23.14966 
1 1 1   -5    7   13 o  642.386   8.0263  1115.88   27.854  1130.79   39.931  1101.76   38.874  646.558   11.429  638.214   11.272 8.343994 16.05258 
1 1 1   -5    7   14 f  822.503   10.041  1830.08   44.598  1790.68   61.727  1873.11   64.508  813.268   14.046  831.738   14.353 -18.47046 20.08220 
1 1 1   -5    7   15 o  259.699   4.3500  182.270   6.1037  178.173   8.5810  186.467   8.6838  256.745   6.1851  262.654   6.1184 -5.908844 8.699993 
1 1 1   -5    7   16 o  148.059   4.3235   59.298   3.4547   58.251   4.9867   60.264   4.7906  146.800   6.2864  149.318   5.9373 -2.517944 8.646960 
1 1 1   -5    7   17 o  111.211   4.9624   33.497   2.9765   32.008   4.2778   34.894   4.1442  108.809   7.2756  113.614   6.7503 -4.805420 9.924787 
1 1 1   -5    7   18 o  266.428   5.4028  191.515   7.3655  193.198   12.672  190.657   9.0514  267.280   8.7739  265.577   6.3072 1.702820 10.80564 
1 1 1   -5    7   19 o  519.458   9.4463  730.728   26.515  726.802   37.427  734.685   37.570  518.057   13.370  520.860   13.348 -2.803772 18.89251 
1 1 1   -5    7   20 o  250.066   6.0494  168.315   8.1511  179.842   12.100  158.739   11.029  257.863   8.6839  242.269   8.4245 15.59401 12.09884 
1 1 1   -5    7   21 o  478.105   9.0614  616.958   23.358  588.513   31.764  650.450   34.468  466.165   12.610  490.044   13.016 -23.87909 18.12273 
1 1 1   -5    7   22 o  695.960   12.323  1313.03   46.314  1282.66   64.118  1346.17   66.971  687.580   17.257  704.340   17.596 -16.75989 24.64613 
1 1 1   -5    7   23 o  166.729   6.8631   75.102   6.1628   83.919   8.8939   66.959   8.5474  176.137   9.3444  157.321   10.054 18.81583 13.72629 
1 1 1   -5    7   24 o  718.635   10.951  1404.38   40.183  1384.91   69.018  1414.36   49.423  714.489   17.876  722.780   12.654 -8.290833 21.90193 
1 1 1   -5    7   25 o  286.741   4.7398  222.188   7.3416  214.045   10.291  230.626   10.476  281.392   6.7681  292.090   6.6375 -10.69812 9.479688 
1 1 1   -5    7   26 o  740.714   9.1640  1484.75   36.676  1469.73   51.440  1500.28   52.306  736.908   12.918  744.519   13.001 -7.610901 18.32795 
1 1 1   -5    7   27 o  772.557   9.5270  1615.05   39.764  1595.13   55.579  1635.94   56.915  767.685   13.398  777.429   13.548 -9.744385 19.05406 
1 1 1   -5    7   28 o  527.768   6.8960  753.128   19.666  745.416   27.648  761.026   27.978  525.034   9.7451  530.503   9.7598 -5.468506 13.79206 
1 1 1   -5    7   29 o  726.389   9.0133  1426.78   35.367  1403.27   49.248  1451.81   50.822  720.221   12.654  732.558   12.839 -12.33716 18.02665 
1 1 1   -5    7   30 o  717.817   8.9378  1393.31   34.656  1414.65   49.819  1373.30   48.240  723.133   12.749  712.501   12.529 10.63184 17.87558 
1 1 1   -5    7   31 o  683.403   8.5671  1262.77   31.625  1239.70   44.000  1287.43   45.487  676.956   12.028  689.851   12.202 -12.89447 17.13410 
1 1 1   -5    7   32 o  910.315   11.094  2242.01   54.542  2194.73   75.587  2293.37   78.779  900.329   15.537  920.301   15.841 -19.97174 22.18868 
1 1 1   -5    7   33 o  917.231   11.182  2278.08   55.422  2266.73   78.033  2289.63   78.730  914.929   15.783  919.532   15.845 -4.602966 22.36454 
1 1 1   -5    7   34 o  764.706   9.4778  1582.37   39.158  1561.51   54.811  1604.12   55.964  759.563   13.354  769.848   13.453 -10.28497 18.95553 
1 1 1   -5    7   35 o  303.148   5.3476  248.428   8.7594  250.779   12.476  246.142   12.301  304.562   7.5809  301.734   7.5444 2.827942 10.69526 
1 1 1   -5    7   36 o  519.494   6.9738  729.986   19.576  724.180   27.585  735.876   27.786  517.413   9.8661  521.575   9.8587 -4.161987 13.94759 
1 1 1   -5    7   38 o  939.580   11.493  2392.22   58.323  2347.04   80.945  2440.99   84.108  930.393   16.100  948.768   16.406 -18.37457 22.98618 
1 1 1   -5    7   39 o  688.592   12.405  1283.82   46.159  1283.82   46.159   0.0000   0.0000  688.592   12.405  ?   ?       ?      ? 
1 1 1   -5    7   40 o  530.641   7.1688  762.094   20.556  757.346   29.016  766.877   29.125  528.981   10.151  532.301   10.125 -3.320557 14.33763 
1 1 1   -5    7   41 o  316.188   5.7673  270.433   9.8513  262.338   13.874  278.664   13.991  311.412   8.2447  320.964   8.0667 -9.551758 11.53455 
1 1 1   -5    7   42 o  701.419   8.8940  1332.98   33.696  1304.56   46.818  1363.52   48.534  693.685   12.490  709.153   12.665 -15.46777 17.78806 
1 1 1   -5    7   43 o  499.874   6.9069  676.414   18.651  660.684   25.981  693.138   26.789  493.886   9.7351  505.862   9.8003 -11.97638 13.81371 
1 1 1   -5    7   44 o  592.015   7.7866  950.224   24.909  943.815   35.139  956.698   35.317  590.006   11.021  594.023   11.002 -4.016968 15.57324 
1 1 1   -5    7   45 o  515.394   7.0288  720.129   19.575  712.540   27.648  727.756   27.718  512.664   9.9803  518.123   9.9001 -5.458740 14.05768 
1 1 1   -5    7   46 o  494.236   8.4744  653.229   21.015  635.874   25.227  692.568   37.983  484.199   9.6419  504.272   13.939 -20.07321 16.94879 
1 1 1   -5    7   47 o  292.163   6.9926  229.906   10.441  226.286   12.783  237.162   18.097  288.945   8.1872  295.381   11.338 -6.436310 13.98513 
1 1 1   -5    7   48 o  259.637   8.1021  182.818   11.367   0.0000   0.0000  182.818   11.367  ?   ?   259.637   8.1021      ?      ? 
1 1 1   -5    7   49 o  554.594   14.734  842.568   44.157   0.0000   0.0000  842.568   44.157  ?   ?   554.594   14.734      ?      ? 
1 1 1   -5    7   50 o  233.947   7.8317  149.232   9.8900  147.523   14.274  150.811   13.716  232.605   11.356  235.288   10.788 -2.682465 15.66346 
1 1 1   -5    7   51 o  139.917   7.5202   54.235   5.5946   45.168   8.1476   62.324   7.6957  128.533   11.731  151.300   9.4129 -22.76683 15.04039 
1 1 1   -5    7   52 o   70.625   13.172   14.233   5.0964   16.718   7.6303   12.232   6.8479   75.927   18.717   65.323   18.539 10.60425 26.34405 
1 1 1   -5    7   53 o  495.128   10.002  676.378   26.738  681.081   38.675  672.072   37.008  496.578   14.413  493.678   13.873 2.899445 20.00466 
1 1 1   -5    7   54 o  123.663   13.158   44.617   8.3492   37.590   12.560   50.180   11.176  113.092   21.335  134.234   15.408 -21.14131 26.31673 
1 1 1   -5    7   55 o  251.445   7.4472  171.459   9.1594  178.423   17.211  168.707   10.819  254.151   12.532  248.738   8.0491 5.412949 14.89432 
1 1 1   -5    7   56 o  248.153   5.7866  168.070   7.7490  170.206   11.285  166.165   10.660  249.584   8.3672  246.723   7.9955 2.861038 11.57315 
1 1 1   -5    7   57 o  149.491   8.5375   61.917   6.4418   62.275   11.342   61.746   7.8266  149.102   14.077  149.880   9.6637 -0.7780914 17.07497 
1 1 1   -5    7   58 o  218.722   7.2014  131.823   8.3019  131.005   10.620  133.108   13.311  218.359   9.0008  219.085   11.244 -0.7259674 14.40280 
1 1 1   -5    7   59 o  275.276   6.8961  211.003   9.9650  217.746   12.795  200.608   15.887  281.658   8.4066  268.895   10.934 12.76212 13.79223 
1 1 1   -5    7   60 o  119.496   8.6964   39.614   5.5828   45.758   8.3884   34.728   7.4799  127.776   12.149  111.216   12.446 16.55956 17.39278 
1 1 1   -5    7   61 o  181.407   6.6103   90.698   6.4568   95.699   9.6317   86.617   8.7016  185.813   9.5926  177.001   9.0977 8.812027 13.22070 
1 1 1   -5    7   62 o  170.237   6.9945   79.710   6.3977   89.457   9.6908   72.180   8.5177  179.307   10.002  161.166   9.7805 18.14066 13.98899 
1 1 1   -5    7   63 o   65.740   13.747   13.625   5.5492   7.7907   8.2563   18.432   7.4943   54.395   20.545   77.084   18.271 -22.68834 27.49384 
1 1 1   -5    7   64 o   69.517   14.452   15.301   5.7653   17.401   8.7015   13.658   7.6972   73.366   20.925   65.668   19.939 7.698135 28.90360 
1 1 1   -5    7   65 o  134.913   8.7248   53.645   6.1986   44.507   9.2577   61.072   8.3453  123.093   13.918  146.733   10.525 -23.63945 17.44968 
1 1 1   -5    7   66 o  111.538   15.595   36.949   9.3995   36.949   9.3995   0.0000   0.0000  111.538   15.595  ?   ?       ?      ? 
1 1 1   -5    7   67 o   92.458   12.734   28.352   6.1019   23.059   9.2611   32.413   8.1116   81.370   20.940  103.545   14.497 -22.17499 25.46883 
1 1 1   -5    7   68 o  128.453   9.4977   50.496   6.3670   40.682   9.5720   58.285   8.5270  115.040   15.398  141.865   11.123 -26.82499 18.99543 
1 1 1   -5    7   69 o   34.959   11.685  -5.0352   5.7714  -6.3115   8.9211  -4.1165   7.5687   35.535   16.916   34.383   16.126 1.152126 23.37093 
1 1 1   -5    8    3 o  560.446   7.1809  849.011   21.745  855.141   30.979  843.057   30.532  562.438   10.193  558.453   10.118 3.985840 14.36175 
1 1 1   -5    8    6 o  529.907   6.8383  758.863   19.577  767.547   28.028  750.591   27.356  532.864   9.7341  526.949   9.6073 5.915039 13.67669 
1 1 1   -5    8    7 o  1156.40   13.866  3620.18   86.640  3645.71  123.448  3595.39  121.629  1160.41   19.687  1152.40   19.532 8.016479 27.73234 
1 1 1   -5    8    8 o  1061.90   18.078  3052.34  103.732   0.0000   0.0000  3052.34  103.732  ?   ?   1061.90   18.078      ?      ? 
1 1 1   -5    8    9 f  583.484   7.4070  920.396   23.351  927.217   33.311  913.805   32.744  585.607   10.527  581.361   10.423 4.246521 14.81395 
1 1 1   -5    8   11 o  845.446   10.323  1935.06   47.162  1937.52   66.862  1932.63   66.533  845.977   14.626  844.916   14.573 1.062073 20.64683 
1 1 1   -5    8   12 o  386.879   5.4184  404.590   11.327  399.534   15.905  409.794   16.135  384.427   7.6564  389.332   7.6693 -4.904266 10.83688 
1 1 1   -5    8   13 o  197.219   4.2006  105.236   4.4720  101.141   6.3795  109.192   6.2705  193.441   6.1031  200.996   5.7733 -7.555603 8.401134 
1 1 1   -5    8   14 o  580.347   7.3886  910.733   23.165  896.027   32.309  926.288   33.229  575.532   10.389  585.162   10.509 -9.629700 14.77720 
1 1 1   -5    8   15 f  777.460   9.5511  1635.13   40.099  1598.69   55.511  1674.89   57.988  768.427   13.369  786.493   13.644 -18.06598 19.10213 
1 1 1   -5    8   16 o  734.806   11.130  1460.26   41.540  1471.85   72.497  1454.60   50.685  736.598   18.214  733.014   12.796 3.583801 22.25955 
1 1 1   -5    8   17 o  165.984   5.9128   74.122   5.2875   79.459   7.8585   69.707   7.1473  171.414   8.4841  160.555   8.2381 10.85910 11.82568 
1 1 1   -5    8   18 o  335.545   6.9790  301.761   12.573  329.054   19.149  281.081   16.668  348.744   10.161  322.346   9.5694 26.39777 13.95807 
1 1 1   -5    8   19 o  368.952   7.6086  368.094   15.169  368.094   15.169   0.0000   0.0000  368.952   7.6086  ?   ?       ?      ? 
1 1 1   -5    8   20 o  338.964   7.3250  310.919   13.417  311.712   19.030  310.135   18.918  339.393   10.377  338.536   10.342 0.8576050 14.64997 
1 1 1   -5    8   21 o  206.787   6.7887  115.178   7.5212   95.608   10.287  137.658   11.025  187.980   10.127  225.594   9.0440 -37.61346 13.57736 
1 1 1   -5    8   22 o  190.154   6.8348   97.797   7.0212   97.095   9.8053   98.536   10.059  189.455   9.5778  190.852   9.7532 -1.396866 13.66968 
1 1 1   -5    8   23 o  332.335   5.0636  298.617   9.0910  297.900   12.999  299.304   12.719  331.941   7.2472  332.728   7.0739 -0.7868042 10.12728 
1 1 1   -5    8   24 o  474.085   6.3441  607.543   16.248  595.541   22.686  620.185   23.284  469.281   8.9461  478.889   8.9976 -9.608643 12.68814 
1 1 1   -5    8   25 o  546.870   7.0793  808.686   20.915  816.605   29.971  801.171   29.200  549.474   10.094  544.266   9.9283 5.207947 14.15853 
1 1 1   -5    8   26 f  815.511   10.022  1800.22   44.160  1783.30   61.954  1817.69   62.960  811.622   14.126  819.401   14.219 -7.779053 20.04364 
1 1 1   -5    8   27 f  1758.34   20.980  8416.87  199.298  8322.91  278.541  8515.42  285.281  1748.37   29.483  1768.31   29.856 -19.93164 41.95937 
1 1 1   -5    8   28 f  727.665   9.0422  1432.48   35.554  1428.82   50.264  1436.15   50.299  726.733   12.799  728.597   12.776 -1.864319 18.08431 
1 1 1   -5    8   29 o  710.668   8.8641  1365.91   34.035  1348.81   47.624  1383.77   48.657  706.126   12.481  715.210   12.590 -9.084290 17.72822 
1 1 1   -5    8   30 o  380.068   5.5984  390.454   11.495  392.158   16.458  388.830   16.062  380.876   7.9965  379.260   7.8374 1.615692 11.19683 
1 1 1   -5    8   31 o  1050.54   12.705  2989.03   72.099  2943.55  100.449  3037.36  103.549  1042.32   17.834  1058.76   18.099 -16.43469 25.40952 
1 1 1   -5    8   32 o  667.396   8.4218  1204.19   30.360  1178.56   42.215  1231.65   43.695  660.050   11.836  674.741   11.984 -14.69025 16.84362 
1 1 1   -5    8   33 o  442.908   6.2169  530.446   14.878  524.235   21.084  536.607   20.997  440.323   8.8613  445.493   8.7223 -5.170654 12.43388 
1 1 1   -5    8   34 o  366.666   5.6580  363.420   11.209  354.310   15.735  372.803   15.970  362.001   8.0441  371.331   7.9588 -9.329620 11.31595 
1 1 1   -5    8   35 o  611.380   7.8809  1011.37   26.035  1002.00   36.653  1020.91   36.989  608.521   11.147  614.238   11.144 -5.716492 15.76189 
1 1 1   -5    8   36 o  428.441   6.2734  495.755   14.514  476.788   20.095  516.441   20.986  419.886   8.8567  436.996   8.8872 -17.11005 12.54684 
1 1 1   -5    8   37 o  189.649   9.3226   97.288   9.5538   97.288   9.5538   0.0000   0.0000  189.649   9.3226  ?   ?       ?      ? 
1 1 1   -5    8   38 o  656.057   8.4162  1163.73   29.813  1130.63   41.183  1200.18   43.215  646.278   11.793  665.835   12.011 -19.55695 16.83241 
1 1 1   -5    8   39 f  970.904   11.870  2557.14   62.260  2519.90   86.846  2596.51   89.302  963.662   16.678  978.147   16.895 -14.48499 23.74032 
1 1 1   -5    8   40 o  842.229   10.442  1921.18   47.470  1864.52   65.290  1984.71   69.139  829.120   14.573  855.337   14.959 -26.21680 20.88384 
1 1 1   -5    8   41 o  335.349   5.8334  304.248   10.567  304.435   15.137  304.071   14.759  335.444   8.3511  335.254   8.1469 0.1893921 11.66677 
1 1 1   -5    8   42 o  201.386   6.3399  109.349   6.8798  121.582   10.064   98.617   9.4262  211.924   8.7883  190.848   9.1403 21.07684 12.67987 
1 1 1   -5    8   43 o  284.184   5.6784  217.532   8.6925  231.676   12.935  205.885   11.738  292.557   8.1822  275.811   7.8757 16.74594 11.35674 
1 1 1   -5    8   44 o  303.354   5.7405  248.482   9.3926  259.801   13.802  238.719   12.818  309.761   8.2459  296.947   7.9886 12.81451 11.48095 
1 1 1   -5    8   45 o  564.088   7.5397  863.497   22.981  862.286   32.648  864.686   32.355  563.683   10.718  564.493   10.607 -0.8098755 15.07947 
1 1 1   -5    8   46 o  332.072   7.1660  298.087   12.214  295.464   15.048  303.153   20.911  330.171   8.4343  333.973   11.587 -3.802429 14.33191 
1 1 1   -5    8   47 o  480.744   9.5806  627.407   24.888   0.0000   0.0000  627.407   24.888  ?   ?   480.744   9.5806      ?      ? 
1 1 1   -5    8   48 f  276.543   10.577  208.086   15.806   0.0000   0.0000  208.086   15.806  ?   ?   276.543   10.577      ?      ? 
1 1 1   -5    8   49 o  335.878   7.9198  307.284   14.366  308.333   20.685  306.306   19.967  336.387   11.380  335.368   11.018 1.018921 15.83964 
1 1 1   -5    8   50 o  354.937   5.8433  342.283   11.204  338.700   15.992  345.736   15.701  353.086   8.3816  356.789   8.1440 -3.703094 11.68661 
1 1 1   -5    8   51 o   86.356   11.805   22.148   5.2613   14.986   7.9129   27.823   7.0439   72.014   19.744  100.698   12.945 -28.68405 23.60964 
1 1 1   -5    8   52 o  351.189   5.8654  334.988   11.121  317.481   15.393  354.105   16.085  341.594   8.3392  360.785   8.2506 -19.19183 11.73090 
1 1 1   -5    8   53 o  268.784   8.4379  198.382   12.216  199.369   18.031  197.545   16.607  269.228   12.394  268.341   11.453 0.8872375 16.87589 
1 1 1   -5    8   54 o  153.506   10.662   64.967   8.7982   73.356   13.253   58.356   11.765  162.264   15.115  144.747   15.041 17.51675 21.32353 
1 1 1   -5    8   55 o  142.806   7.8219   56.742   5.9555   51.022   8.8836   61.410   8.0261  135.945   12.093  149.667   9.9242 -13.72122 15.64389 
1 1 1   -5    8   56 o  269.427   5.7436  197.758   8.3421  207.489   12.323  189.528   11.334  275.464   8.2790  263.389   7.9631 12.07434 11.48712 
1 1 1   -5    8   57 o  240.379   5.9288  158.378   7.6748  156.231   11.286  160.225   10.468  238.720   8.7489  242.038   8.0036 -3.317841 11.85753 
1 1 1   -5    8   58 o  283.285   6.8900  223.414   10.009  214.549   16.886  228.215   12.427  277.952   11.243  288.620   7.9680 -10.66806 13.78007 
1 1 1   -5    8   59 o  253.216   7.0404  174.639   9.2890  167.695   11.585  187.140   15.544  246.962   8.6812  259.470   11.086 -12.50870 14.08089 
1 1 1   -5    8   60 o   42.953   13.371  -1.3005   6.0722  -4.1188   8.3182   1.9146   8.8847   38.784   17.733   47.121   20.017 -8.337212 26.74202 
1 1 1   -5    8   61 o   68.494   13.382   14.750   5.5013   7.6629   8.1906   20.576   7.4255   54.510   20.490   82.479   17.217 -27.96929 26.76300 
1 1 1   -5    8   62 o   59.879   13.353   10.577   5.3810   3.0932   8.1800   16.286   7.1445   46.994   19.533   72.764   18.213 -25.76973 26.70658 
1 1 1   -5    8   63 o  130.278   8.7632   48.306   6.1093   48.400   9.2959   48.235   8.1055  129.919   13.241  130.637   11.482 -0.7176514 17.52640 
1 1 1   -5    8   64 f   53.294   14.273   7.7545   5.6637   6.1361   8.7346   8.9286   7.4396   51.531   20.644   55.057   19.716 -3.525700 28.54643 
1 1 1   -5    8   65 o   80.823   13.724   21.054   5.8835   22.049   8.9076   20.285   7.8361   81.989   20.230   79.657   18.551 2.332359 27.44775 
1 1 1   -5    8   66 o   73.247   13.517   17.916   6.1647   6.2964   9.1776   27.469   8.3216   52.141   21.065   94.354   16.944 -42.21350 27.03371 
1 1 1   -5    8   67 o  161.869   7.7233   76.866   6.6935   73.029   9.9821   80.002   9.0226  157.231   11.749  166.508   10.028 -9.276611 15.44651 
1 1 1   -5    8   68 o  161.905   7.7262   75.700   6.7254   77.182   10.057   74.501   9.0454  162.832   11.430  160.979   10.399 1.852585 15.45238 
1 1 1   -5    9    1 o  1153.84   19.617  3605.19  122.310  3605.19  122.310   0.0000   0.0000  1153.84   19.617  ?   ?       ?      ? 
1 1 1   -5    9    2 o  724.719   8.9841  1420.37   35.182  1415.56   49.569  1425.26   49.943  723.484   12.679  725.954   12.731 -2.469666 17.96816 
1 1 1   -5    9    4 o  799.280   9.8255  1726.12   42.395  1773.08   61.617  1683.90   58.422  809.578   14.085  788.982   13.703 20.59650 19.65093 
1 1 1   -5    9    6 o  453.861   6.1016  556.189   14.950  571.668   21.726  542.270   20.603  459.847   8.7435  447.875   8.5129 11.97275 12.20326 
1 1 1   -5    9    7 o  316.084   4.9098  269.861   8.3810  275.342   12.104  264.813   11.616  319.164   7.0182  313.004   6.8680 6.159393 9.819574 
1 1 1   -5    9    9 o  183.129   4.3990   90.702   4.3504   88.304   6.2061   93.019   6.1000  180.747   6.3542  185.512   6.0851 -4.765396 8.797961 
1 1 1   -5    9   10 o  685.515   8.5704  1271.68   31.747  1269.89   44.931  1273.46   44.864  685.032   12.138  685.998   12.103 -0.9655151 17.14083 
1 1 1   -5    9   11 o  444.644   6.0094  534.451   14.435  540.708   20.695  528.524   20.144  447.175   8.5646  442.114   8.4319 5.061462 12.01871 
1 1 1   -5    9   12 o  1060.66   12.799  3050.32   73.349  3021.33  102.743  3080.45  104.749  1055.54   18.013  1065.78   18.189 -10.23840 25.59876 
1 1 1   -5    9   13 f  1186.71   14.268  3823.05   91.493  3826.46  129.558  3819.65  129.225  1187.23   20.195  1186.19   20.161 1.046143 28.53574 
1 1 1   -5    9   14 o  307.623   5.9577  259.978   9.4295  242.117   15.698  270.060   11.794  299.182   9.7102  316.064   6.9058 -16.88248 11.91544 
1 1 1   -5    9   15 o  514.844   9.4852  717.661   26.383  723.423   37.755  712.162   36.882  516.855   13.518  512.834   13.309 4.020508 18.97031 
1 1 1   -5    9   16 o  465.020   8.7651  584.756   22.011  566.667   30.467  604.505   31.834  457.511   12.324  472.528   12.467 -15.01678 17.53015 
1 1 1   -5    9   17 o  657.382   16.561  1172.07   58.831  1172.07   58.831   0.0000   0.0000  657.382   16.561  ?   ?       ?      ? 
1 1 1   -5    9   18 o  424.270   8.3474  486.384   19.111  504.955   27.934  470.045   26.202  431.856   11.971  416.685   11.637 15.17130 16.69481 
1 1 1   -5    9   19 o  144.011   7.5501   56.080   5.8705   52.950   8.1873   59.392   8.4221  139.876   10.832  148.146   10.521 -8.270859 15.10022 
1 1 1   -5    9   20 o  461.898   8.8749  577.245   22.137  588.513   31.991  566.892   30.664  466.209   12.699  457.587   12.401 8.621368 17.74986 
1 1 1   -5    9   21 o  280.890   5.9975  214.252   8.4165  211.059   15.070  215.700   10.146  279.312   9.9846  282.469   6.6475 -3.156952 11.99502 
1 1 1   -5    9   22 o  925.369   11.267  2320.18   56.331  2290.46   78.751  2351.33   80.608  919.315   15.853  931.422   16.016 -12.10693 22.53465 
1 1 1   -5    9   23 o  510.320   6.7305  704.269   18.559  697.281   26.114  711.403   26.382  507.762   9.5175  512.878   9.5193 -5.115967 13.46105 
1 1 1   -5    9   24 o  341.055   5.2130  314.180   9.5984  320.373   13.930  308.581   13.245  344.250   7.4883  337.860   7.2546 6.389282 10.42606 
1 1 1   -5    9   25 o  907.674   11.062  2230.73   54.249  2202.82   75.860  2259.93   77.609  901.878   15.566  913.471   15.723 -11.59344 22.12483 
1 1 1   -5    9   26 o  514.866   6.7922  716.799   18.897  713.422   26.709  720.184   26.739  513.651   9.6230  516.081   9.5882 -2.430237 13.58438 
1 1 1   -5    9   27 o  950.551   11.554  2446.33   59.347  2434.85   83.604  2457.99   84.258  948.305   16.315  952.796   16.365 -4.490234 23.10856 
1 1 1   -5    9   28 o  165.475   5.2738   74.318   4.6956   69.401   6.8096   78.776   6.4837  160.231   7.8648  170.719   7.0283 -10.48825 10.54758 
1 1 1   -5    9   29 f  1104.19   13.319  3302.76   79.447  3253.30  110.676  3355.34  114.112  1095.69   18.693  1112.69   18.979 -16.99866 26.63877 
1 1 1   -5    9   30 o  1222.80   14.700  4052.89   97.088  3982.72  134.927  4128.23  139.808  1211.87   20.604  1233.72   20.971 -21.85645 29.39952 
1 1 1   -5    9   31 o  399.951   5.8170  432.322   12.566  436.405   18.080  428.507   17.477  401.775   8.3280  398.128   8.1238 3.646484 11.63403 
1 1 1   -5    9   32 o  549.484   7.2274  815.487   21.444  788.722   29.631  844.917   31.072  540.034   10.154  558.935   10.288 -18.90009 14.45473 
1 1 1   -5    9   33 o  744.421   9.2931  1499.92   37.381  1487.31   52.576  1512.82   53.158  741.258   13.126  747.585   13.159 -6.326477 18.58614 
1 1 1   -5    9   34 o  365.823   5.7556  361.826   11.374  363.393   16.319  360.346   15.860  366.590   8.2380  365.057   8.0402 1.533142 11.51128 
1 1 1   -5    9   35 o  370.641   8.1800  371.458   16.383   0.0000   0.0000  371.458   16.383  ?   ?   370.641   8.1800      ?      ? 
1 1 1   -5    9   36 o  411.714   6.2179  458.376   13.831  445.638   19.444  471.422   19.677  405.922   8.8644  417.506   8.7218 -11.58469 12.43577 
1 1 1   -5    9   37 o  771.348   9.6634  1611.66   40.278  1606.73   56.972  1616.59   56.951  770.165   13.689  772.532   13.643 -2.366882 19.32676 
1 1 1   -5    9   38 o  143.250   8.4364   56.626   6.3731   43.012   9.1053   69.702   8.9232  126.007   13.372  160.493   10.289 -34.48592 16.87270 
1 1 1   -5    9   39 o  231.778   6.0368  145.439   7.5430  143.764   11.018  146.916   10.348  230.511   8.8455  233.046   8.2175 -2.535172 12.07354 
1 1 1   -5    9   40 o  394.696   6.1371  421.352   13.081  425.473   18.875  417.542   18.146  396.545   8.8087  392.848   8.5479 3.696533 12.27430 
1 1 1   -5    9   41 o  422.286   6.3051  482.741   14.387  477.591   20.343  487.894   20.350  420.029   8.9628  424.544   8.8706 -4.514832 12.61026 
1 1 1   -5    9   42 o  254.524   5.8342  175.433   8.0203  171.565   11.434  179.180   11.253  251.752   8.4050  257.296   8.0936 -5.544373 11.66839 
1 1 1   -5    9   43 o  560.086   7.4770  850.214   22.627  835.548   31.749  865.352   32.255  555.177   10.583  564.995   10.565 -9.818054 14.95401 
1 1 1   -5    9   44 o  902.038   11.175  2217.47   54.455  2183.01   75.896  2254.03   78.177  894.874   15.695  909.201   15.912 -14.32709 22.35048 
1 1 1   -5    9   45 o  436.306   7.9573  508.456   17.446  494.215   20.963  540.541   31.465  426.941   9.0867  445.671   13.066 -18.72998 15.91465 
1 1 1   -5    9   46 o  249.771   7.9397  167.901   10.626  182.252   16.342  157.387   13.988  258.864   11.683  240.679   10.755 18.18480 15.87946 
1 1 1   -5    9   47 o  169.040   12.145   77.883   11.094   0.0000   0.0000   77.883   11.094  ?   ?   169.040   12.145      ?      ? 
1 1 1   -5    9   48 o   87.481   15.082   22.526   7.1161   17.685   10.694   26.374   9.5331   78.861   23.404   96.102   19.031 -17.24071 30.16483 
1 1 1   -5    9   49 o  224.592   5.9452  135.716   7.1793  150.429   10.828  124.175   9.5904  235.338   8.5147  213.846   8.2994 21.49278 11.89035 
1 1 1   -5    9   50 o  248.526   5.7668  168.056   7.7343  159.460   10.998  176.465   10.878  242.187   8.4041  254.866   7.8989 -12.67894 11.53355 
1 1 1   -5    9   51 o  210.465   5.9902  120.475   6.7933  121.036   10.000  119.993   9.2569  210.867   8.7765  210.063   8.1551 0.8038025 11.98047 
1 1 1   -5    9   52 o  454.754   8.1994  559.950   18.898  547.237   22.921  586.937   33.395  447.879   9.4707  461.630   13.387 -13.75146 16.39879 
1 1 1   -5    9   53 o   66.812   15.988   7.5750   7.9634   23.491   12.203  -4.2320   10.510   88.367   24.632   45.256   20.388 43.11174 31.97544 
1 1 1   -5    9   54 o  112.196   14.238   36.235   8.4242   41.329   12.435   31.914   11.453  120.584   19.084  103.809   21.135 16.77537 28.47623 
1 1 1   -5    9   55 o  217.973   6.0665  129.745   7.1282  132.039   10.489  127.775   9.7169  219.684   8.8358  216.262   8.3149 3.422028 12.13299 
1 1 1   -5    9   56 o   41.012   12.488  -0.4584   5.1735  -4.7608   7.8830   2.7967   6.8567   37.436   17.171   44.588   18.138 -7.152821 24.97609 
1 1 1   -5    9   57 o  136.996   8.0619   51.953   5.9303   53.175   8.9434   50.993   7.9224  138.246   11.972  135.746   10.800 2.500076 16.12374 
1 1 1   -5    9   58 o  191.948   7.6284  101.671   7.4123  103.513   13.020  100.788   9.0160  192.379   12.525  191.517   8.7120 0.8617249 15.25684 
1 1 1   -5    9   59 o  184.651   7.9971   97.144   7.4040   89.122   12.856  101.125   9.0568  177.667   13.391  191.634   8.7461 -13.96658 15.99429 
1 1 1   -5    9   60 o  191.788   7.7625  104.267   7.8299  110.756   10.190   94.910   12.235  200.004   9.4282  183.572   12.334 16.43182 15.52502 
1 1 1   -5    9   61 o   41.764   12.810   0.0291   5.4357  -2.8663   8.0565   2.4485   7.3646   39.190   17.735   44.338   18.490 -5.148659 25.62032 
1 1 1   -5    9   62 o   51.143   14.066   5.8223   5.5286   8.3613   8.6335   4.0574   7.1981   55.913   21.033   46.372   18.683 9.540741 28.13234 
1 1 1   -5    9   63 o  119.641   9.5795   41.519   6.1290   37.768   9.0382   44.712   8.3393  113.962   14.677  125.320   12.315 -11.35750 19.15891 
1 1 1   -5    9   64 o  124.536   9.4377   46.437   6.1386   36.276   9.1045   54.906   8.3121  110.270   15.279  138.801   11.082 -28.53103 18.87530 
1 1 1   -5    9   65 o  109.226   10.636   34.921   6.2486   38.898   9.3905   31.760   8.3708  114.688   15.152  103.764   14.929 10.92395 21.27141 
1 1 1   -5    9   66 o  152.507   8.0351   66.361   6.5813   71.889   9.9966   62.133   8.7436  157.765   11.726  147.250   10.989 10.51541 16.07028 
1 1 1   -5    9   67 o   66.290   15.069   15.854   6.1477   14.417   9.5243   16.880   8.0490   63.191   22.342   69.389   20.226 -6.198246 30.13704 
1 1 1   -5    9   68 o   99.600   11.904   31.831   6.2391   36.257   9.5656   28.554   8.2309  106.020   16.697   93.179   16.972 12.84022 23.80859 
1 1 1   -5   10    2 o  276.313   6.6265  206.375   9.8939   0.0000   0.0000  206.375   9.8939  ?   ?   276.313   6.6265      ?      ? 
1 1 1   -5   10    3 o  938.453   11.407  2385.53   57.837  2410.57   82.670  2361.53   80.945  943.262   16.219  933.645   16.044 9.617737 22.81391 
1 1 1   -5   10    4 o  500.112   9.3355  676.383   25.229   0.0000   0.0000  676.383   25.229  ?   ?   500.112   9.3355      ?      ? 
1 1 1   -5   10    5 f  806.109   9.9354  1759.38   43.278  1760.46   61.329  1758.31   61.079  806.353   14.075  805.866   14.026 0.4869995 19.87080 
1 1 1   -5   10    6 o  360.848   5.3242  351.885   10.378  357.078   14.910  347.004   14.455  363.427   7.5922  358.268   7.4664 5.159241 10.64840 
1 1 1   -5   10    7 o  632.447   8.0079  1082.05   27.363  1091.23   39.103  1073.25   38.304  635.069   11.395  629.825   11.255 5.243835 16.01572 
1 1 1   -5   10   10 o  678.990   8.5085  1247.72   31.218  1244.61   44.079  1250.85   44.219  678.141   12.029  679.838   12.037 -1.697510 17.01709 
1 1 1   -5   10   11 o  421.437   5.8420  480.135   13.302  472.500   18.620  488.092   19.009  418.017   8.2434  424.857   8.2802 -6.839508 11.68397 
1 1 1   -5   10   12 o  801.603   12.255  1695.69   48.265  1855.18   91.204  1633.65   56.882  826.502   20.421  776.704   13.553 49.79767 24.50938 
1 1 1   -5   10   13 o  246.186   6.6483  164.039   8.8357  155.676   12.493  172.410   12.498  239.896   9.6371  252.476   9.1611 -12.57912 13.29664 
1 1 1   -5   10   14 f  498.075   13.313  671.847   35.831  671.847   35.831   0.0000   0.0000  498.075   13.313  ?   ?       ?      ? 
1 1 1   -5   10   15 o  499.700   13.390  676.351   36.155  676.351   36.155   0.0000   0.0000  499.700   13.390  ?   ?       ?      ? 
1 1 1   -5   10   16 o  825.826   14.408  1853.66   64.291  1837.16   90.174  1870.72   91.688  822.108   20.299  829.544   20.454 -7.435974 28.81685 
1 1 1   -5   10   17 o  241.412   6.5640  157.659   8.5626  157.838   12.067  157.477   12.152  241.551   9.2445  241.273   9.3211 0.2783813 13.12804 
1 1 1   -5   10   18 o  362.917   7.6513  356.414   15.005  357.207   21.291  355.631   21.149  363.317   10.845  362.517   10.796 0.8001099 15.30257 
1 1 1   -5   10   19 o  681.666   12.070  1257.86   44.460   0.0000   0.0000  1257.86   44.460  ?   ?   681.666   12.070      ?      ? 
1 1 1   -5   10   20 o  607.900   7.7677  999.553   25.506  1014.49   36.676  985.563   35.496  612.288   11.085  603.513   10.884 8.774902 15.53543 
1 1 1   -5   10   21 o  850.708   10.426  1959.94   47.923  1974.88   68.396  1945.54   67.168  853.880   14.823  847.536   14.666 6.344299 20.85250 
1 1 1   -5   10   22 o  223.070   6.7154  134.508   8.0947   0.0000   0.0000  134.508   8.0947  ?   ?   223.070   6.7154      ?      ? 
1 1 1   -5   10   23 o  688.656   8.6383  1283.21   32.144  1273.45   45.261  1293.15   45.660  686.015   12.210  691.298   12.223 -5.283508 17.27651 
1 1 1   -5   10   24 o  746.974   9.2759  1509.93   37.440  1501.54   52.745  1518.45   53.154  744.884   13.104  749.064   13.132 -4.180481 18.55173 
1 1 1   -5   10   25 f  315.508   5.1380  269.054   8.7581  262.079   12.328  276.162   12.445  311.378   7.3266  319.637   7.2053 -8.259003 10.27591 
1 1 1   -5   10   26 o  509.465   6.7776  700.659   18.642  675.849   25.703  728.190   27.077  499.968   9.5139  518.962   9.6556 -18.99347 13.55525 
1 1 1   -5   10   27 o  162.237   5.4814   71.161   4.7998   70.891   6.9514   71.407   6.6355  161.941   7.9438  162.533   7.5551 -0.5920868 10.96282 
1 1 1   -5   10   28 o  863.677   10.596  2018.97   49.446  1997.35   69.331  2041.34   70.539  858.977   14.937  868.376   15.033 -9.398499 21.19172 
1 1 1   -5   10   29 o  413.898   5.9550  463.161   13.318  456.557   18.828  469.774   18.840  410.943   8.4789  416.852   8.3639 -5.909241 11.90997 
1 1 1   -5   10   30 o  538.690   7.1211  784.710   20.728  775.865   29.216  793.675   29.413  535.633   10.094  541.748   10.047 -6.114990 14.24210 
1 1 1   -5   10   31 o  456.342   6.3600  562.985   15.681  550.654   22.029  575.652   22.327  451.276   9.0338  461.408   8.9549 -10.13245 12.72006 
1 1 1   -5   10   32 o  748.969   9.3540  1518.39   37.855  1524.86   53.904  1512.08   53.172  750.538   13.291  747.400   13.166 3.138123 18.70803 
1 1 1   -5   10   33 o  139.936   6.9604   52.941   5.2550   53.457   7.6653   52.484   7.2183  140.574   10.091  139.297   9.5897 1.277328 13.92086 
1 1 1   -5   10   34 o  331.435   5.6911  296.827   10.187  302.404   14.712  291.690   14.118  334.421   8.1411  328.449   7.9548 5.971680 11.38229 
1 1 1   -5   10   35 o  524.065   7.1540  743.012   20.258  733.312   28.604  752.774   28.695  520.630   10.168  527.500   10.067 -6.870483 14.30805 
1 1 1   -5   10   36 o  506.573   7.0138  694.250   19.198  684.969   27.071  703.640   27.231  503.165   9.9564  509.982   9.8816 -6.816772 14.02765 
1 1 1   -5   10   37 o   29.632   10.291 -16.3598   5.6412 -15.4889   8.3319 -17.0970   7.6655   31.113   15.180   28.151   13.898 2.961935 20.58135 
1 1 1   -5   10   38 o  810.244   10.105  1777.47   44.196  1724.07   60.829  1837.19   64.322  797.408   14.117  823.079   14.462 -25.67035 20.20987 
1 1 1   -5   10   39 o  758.775   9.5442  1559.99   39.121  1530.70   54.518  1591.09   56.170  751.448   13.426  766.101   13.568 -14.65344 19.08843 
1 1 1   -5   10   40 o  192.588   6.5424  100.327   6.7868  101.401   10.030   99.421   9.2171  193.523   9.5918  191.652   8.9000 1.870651 13.08483 
1 1 1   -5   10   41 o  828.955   10.323  1867.09   46.237  1869.52   65.660  1864.69   65.122  829.474   14.649  828.436   14.547 1.038208 20.64515 
1 1 1   -5   10   42 o  101.914   10.644   28.206   5.8463   28.793   8.6232   27.706   7.9532  102.873   15.512  100.954   14.579 1.919006 21.28814 
1 1 1   -5   10   43 o  209.339   6.3112  116.488   7.0643  134.962   11.004  103.536   9.2137  223.178   9.1244  195.499   8.7217 27.67902 12.62231 
1 1 1   -5   10   44 o  419.252   7.8570  469.148   16.611  455.212   20.014  500.000   29.779  409.777   9.0387  428.727   12.854 -18.95062 15.71397 
1 1 1   -5   10   45 o   85.836   15.315   21.298   7.6619   9.4279   11.077   32.185   10.609   64.971   23.944  106.700   19.102 -41.72936 30.62954 
1 1 1   -5   10   46 o  227.964   10.966  141.351   13.509   0.0000   0.0000  141.351   13.509  ?   ?   227.964   10.966      ?      ? 
1 1 1   -5   10   47 o  397.000   7.4451  426.780   15.327  421.539   19.098  436.261   25.690  393.978   8.9707  400.023   11.885 -6.045349 14.89025 
1 1 1   -5   10   48 o  429.570   6.3747  501.421   14.794  489.987   20.929  512.841   20.916  424.647   9.1209  434.494   8.9084 -9.847076 12.74947 
1 1 1   -5   10   49 o  275.758   5.7209  206.455   8.5144  208.856   12.380  204.301   11.729  277.246   8.2635  274.270   7.9139 2.975830 11.44185 
1 1 1   -5   10   50 o  306.103   5.7367  254.294   9.4662  260.857   13.949  248.692   12.888  309.705   8.3351  302.501   7.8846 7.203766 11.47347 
1 1 1   -5   10   51 o  236.551   5.9487  152.544   7.5907  144.429   10.839  160.354   10.633  230.305   8.7099  242.797   8.1047 -12.49194 11.89739 
1 1 1   -5   10   52 o  210.231   9.3130  122.337   10.542  115.631   15.282  128.423   14.560  204.492   13.830  215.969   12.476 -11.47623 18.62607 
1 1 1   -5   10   53 f  172.818   10.251   81.110   9.4436   95.270   14.930   71.667   12.193  184.948   14.939  160.689   14.042 24.25816 20.50230 
1 1 1   -5   10   54 o   80.793   15.410   19.252   6.2875   19.232   12.571   19.259   7.2611   80.326   25.654   81.260   17.079 -0.9330368 30.81921 
1 1 1   -5   10   55 o  102.463   10.285   28.650   5.6171   35.486   8.8060   23.960   7.2937  112.506   14.485   92.420   14.605 20.08578 20.56958 
1 1 1   -5   10   56 o  242.042   5.9719  160.352   7.7883  162.122   11.484  158.844   10.598  243.161   8.7397  240.923   8.1408 2.238205 11.94384 
1 1 1   -5   10   57 o   75.227   13.515   17.281   5.5370   14.712   8.1526   19.480   7.5438   69.700   20.367   80.754   17.770 -11.05385 27.02917 
1 1 1   -5   10   58 o  231.721   6.0987  147.208   7.5981  151.727   11.398  143.594   10.193  234.741   8.9859  228.701   8.2481 6.040115 12.19743 
1 1 1   -5   10   59 o  235.071   7.2704  153.175   8.5841  154.369   15.257  152.622   10.384  234.547   12.038  235.595   8.1562 -1.048279 14.54077 
1 1 1   -5   10   60 o   74.990   13.716   16.868   5.7073   23.807   8.7121   11.651   7.5539   88.000   18.886   61.981   19.897 26.01933 27.43296 
1 1 1   -5   10   61 o  144.066   9.4057   58.308   7.2541   53.813   9.5074   64.572   11.222  137.791   12.769  150.341   13.814 -12.55002 18.81147 
1 1 1   -5   10   62 o   94.453   11.964   26.582   5.9056   28.455   9.1565   25.248   7.7277   96.009   18.318   92.896   15.395 3.113403 23.92762 
1 1 1   -5   10   63 o   49.270   14.073   5.1987   5.7736   4.2406   8.8507   5.9084   7.6175   48.929   20.326   49.611   19.469 -0.6825562 28.14569 
1 1 1   -5   10   64 o  220.082   6.5664  134.743   7.7656  145.059   11.755  126.756   10.344  227.253   9.5724  212.911   8.9911 14.34250 13.13279 
1 1 1   -5   10   65 o  174.469   7.5648   86.167   7.0799   85.897   10.650   86.381   9.4771  173.732   11.345  175.206   10.010 -1.473770 15.12958 
1 1 1   -5   10   66 o  123.280   9.9101   47.191   6.4255   41.396   9.7957   51.567   8.5128  114.555   15.825  132.005   11.934 -17.44992 19.82028 
1 1 1   -5   10   67 o  125.314   10.076   47.203   6.6870   48.760   10.586   46.170   8.6256  125.725   15.583  124.904   12.780 0.8209457 20.15290 
1 1 1   -5   10   68 o   31.649   10.969 -13.0197   6.0317  -5.0870   9.4307 -18.5109   7.8463   37.348   17.666   25.951   13.009 11.39729 21.93887 
1 1 1   -5   11    1 o  1119.54   13.520  3399.53   81.775  3354.89  114.175  3446.56  117.177  1112.02   19.001  1127.06   19.240 -15.03101 27.04092 
1 1 1   -5   11    2 o  474.810   6.4384  609.636   16.518  613.755   23.541  605.642   23.182  476.387   9.1449  473.232   9.0653 3.155243 12.87671 
1 1 1   -5   11    3 f  316.680   5.0891  271.081   8.7075  273.404   12.429  268.842   12.203  318.011   7.2329  315.349   7.1609 2.662262 10.17813 
1 1 1   -5   11    6 o  273.975   4.8523  202.805   7.1804  194.425   10.035  211.595   10.278  268.178   6.9249  279.772   6.7987 -11.59378 9.704508 
1 1 1   -5   11    7 o  162.447   4.9451   71.043   4.3312   77.615   6.3514   65.331   5.9216  169.440   6.9369  155.453   7.0494 13.98666 9.890109 
1 1 1   -5   11    8 o  323.532   7.2901  282.994   12.745  282.994   12.745   0.0000   0.0000  323.532   7.2901  ?   ?       ?      ? 
1 1 1   -5   11    9 o  138.299   7.8259   51.253   5.7912   55.225   8.9575   48.401   7.5911  142.847   11.605  133.751   10.503 9.096451 15.65184 
1 1 1   -5   11   13 o  109.763   13.243   32.635   7.8550   32.635   7.8550   0.0000   0.0000  109.763   13.243  ?   ?       ?      ? 
1 1 1   -5   11   14 o  625.065   11.261  1059.54   38.034  1064.19   53.996  1054.95   53.582  626.422   15.952  623.706   15.898 2.715942 22.52130 
1 1 1   -5   11   15 o  626.563   11.304  1064.33   38.267  1074.78   54.652  1054.28   53.597  629.568   16.065  623.559   15.907 6.009583 22.60751 
1 1 1   -5   11   16 o  314.210   10.184  267.117   17.292  267.117   17.292   0.0000   0.0000  314.210   10.184  ?   ?       ?      ? 
1 1 1   -5   11   17 o  906.555   11.076  2227.06   54.249  2198.98   75.851  2256.46   77.618  900.721   15.584  912.388   15.743 -11.66711 22.15210 
1 1 1   -5   11   18 o  364.830   5.4542  359.785   10.748  363.305   15.453  356.487   14.959  366.555   7.8018  363.105   7.6239 3.449646 10.90831 
1 1 1   -5   11   20 o  931.160   11.349  2348.77   57.097  2328.03   80.079  2370.23   81.434  926.988   15.987  935.332   16.112 -8.344482 22.69739 
1 1 1   -5   11   21 o  697.529   8.7440  1316.51   32.956  1305.19   46.299  1328.14   46.922  694.492   12.337  700.566   12.395 -6.074036 17.48808 
1 1 1   -5   11   22 o  206.269   4.9309  114.924   5.4898  116.717   7.9812  113.314   7.5632  207.793   7.1080  204.745   6.8360 3.048340 9.861789 
1 1 1   -5   11   23 o  1080.41   13.061  3162.47   76.237  3121.81  106.507  3205.20  109.172  1073.31   18.364  1087.51   18.578 -14.20276 26.12201 
1 1 1   -5   11   24 o  892.695   10.936  2157.16   52.748  2166.68   75.102  2147.89   74.103  894.630   15.535  890.759   15.395 3.871277 21.87141 
1 1 1   -5   11   25 f  405.511   5.8947  444.510   12.915  435.439   18.202  453.707   18.329  401.343   8.3929  409.678   8.2793 -8.335083 11.78936 
1 1 1   -5   11   26 o  678.960   8.5737  1246.55   31.449  1224.82   43.918  1269.41   45.055  672.893   12.078  685.026   12.172 -12.13275 17.14742 
1 1 1   -5   11   27 o  1367.96   16.393  5079.50  121.177  5056.88  170.674  5102.48  172.073  1364.91   23.141  1371.02   23.226 -6.115479 32.78654 
1 1 1   -5   11   28 o  507.463   9.6256  696.338   26.395   0.0000   0.0000  696.338   26.395  ?   ?   507.463   9.6256      ?      ? 
1 1 1   -5   11   29 o  819.687   10.151  1818.69   44.959  1816.70   63.817  1820.66   63.349  819.235   14.416  820.139   14.294 -0.9042358 20.30134 
1 1 1   -5   11   30 o  1046.22   12.704  2962.67   71.751  2882.46   98.825  3052.09  104.341  1031.31   17.733  1061.14   18.197 -29.82642 25.40859 
1 1 1   -5   11   31 o  1305.77   15.711  4627.26  110.768  4522.44  153.043  4742.58  160.524  1290.34   21.949  1321.20   22.485 -30.85840 31.42184 
1 1 1   -5   11   32 o  428.740   6.2385  495.740   14.432  471.258   19.772  523.661   21.114  417.443   8.7651  440.036   8.8798 -22.59271 12.47709 
1 1 1   -5   11   33 o  707.347   8.9593  1354.09   34.240  1335.00   47.954  1373.96   48.906  702.263   12.637  712.430   12.704 -10.16693 17.91854 
1 1 1   -5   11   34 o  334.307   8.2194  302.224   14.848   0.0000   0.0000  302.224   14.848  ?   ?   334.307   8.2194      ?      ? 
1 1 1   -5   11   35 o  462.085   6.6728  577.492   16.660  566.175   23.384  589.157   23.741  457.487   9.4591  466.683   9.4143 -9.195648 13.34554 
1 1 1   -5   11   36 o  467.987   6.7521  591.273   17.057  564.374   23.479  621.331   24.820  456.743   9.5132  479.232   9.5844 -22.48886 13.50412 
1 1 1   -5   11   37 o  474.443   6.7577  608.694   17.318  588.375   24.124  630.300   24.876  466.278   9.5745  482.608   9.5391 -16.32962 13.51537 
1 1 1   -5   11   38 o  540.214   7.3712  789.459   21.502  804.767   31.108  775.454   29.755  545.211   10.559  535.217   10.288 9.993896 14.74233 
1 1 1   -5   11   39 o  612.779   8.0421  1016.95   26.622  994.388   37.112  1040.87   38.209  605.786   11.337  619.771   11.409 -13.98566 16.08417 
1 1 1   -5   11   40 o   66.913   14.556   12.254   5.7949   10.857   8.5248   13.455   7.9011   64.395   21.171   69.431   19.982 -5.036629 29.11167 
1 1 1   -5   11   41 o  368.855   6.0690  368.434   12.094  361.623   17.145  375.180   17.063  365.452   8.6818  372.258   8.4827 -6.805695 12.13791 
1 1 1   -5   11   42 o  317.109   5.8650  272.365   10.048  268.780   14.282  275.878   14.140  315.034   8.3896  319.184   8.1981 -4.149628 11.73000 
1 1 1   -5   11   43 o  425.332   7.9771  488.835   17.280  484.002   21.111  498.649   30.080  422.519   9.2462  428.145   13.002 -5.626129 15.95426 
1 1 1   -5   11   44 o  161.819   14.882   71.464   13.013   71.464   13.013   0.0000   0.0000  161.819   14.882  ?   ?       ?      ? 
1 1 1   -5   11   45 o  445.860   12.594  541.667   30.343   0.0000   0.0000  541.667   30.343  ?   ?   445.860   12.594      ?      ? 
1 1 1   -5   11   46 o  488.970   6.9976  646.501   18.434  604.788   24.923  696.887   27.391  471.686   9.7781  506.254   10.013 -34.56833 13.99516 
1 1 1   -5   11   47 o  328.249   5.8491  292.663   10.364  286.361   14.898  298.574   14.428  324.782   8.4887  331.715   8.0492 -6.932800 11.69814 
1 1 1   -5   11   48 o  258.342   5.8486  181.082   8.1439  184.264   11.996  178.361   11.092  260.401   8.5249  256.283   8.0093 4.118500 11.69718 
1 1 1   -5   11   49 o   44.264   12.919   1.4078   5.1609  -2.4785   7.8457   4.3720   6.8521   40.421   17.954   48.107   18.580 -7.686508 25.83711 
1 1 1   -5   11   50 o  493.313   6.9517  663.852   18.530  652.588   26.090  675.315   26.321  489.071   9.8724  497.555   9.7898 -8.483582 13.90338 
1 1 1   -5   11   51 o  166.633   10.458   76.987   9.3917   75.766   13.720   78.063   12.883  165.226   15.367  168.041   14.188 -2.815155 20.91518 
1 1 1   -5   11   52 o   95.444   15.957   27.333   8.1091   25.090   11.688   29.414   11.260   91.318   23.538   99.570   21.552 -8.252129 31.91450 
1 1 1   -5   11   53 o  312.352   8.6725  267.646   14.568  287.162   21.939  252.252   19.484  322.284   12.597  302.419   11.923 19.86575 17.34494 
1 1 1   -5   11   54 o  187.653   6.5545   95.832   6.5823  101.441   10.145   91.754   8.6502  192.211   9.7675  183.095   8.7430 9.116486 13.10898 
1 1 1   -5   11   55 o  201.961   6.4316  112.502   6.9676  106.112   10.315  117.864   9.4489  196.440   9.7178  207.482   8.4278 -11.04147 12.86321 
1 1 1   -5   11   56 o  177.605   6.8960   86.879   6.5835   87.841   9.8478   86.101   8.8525  178.318   10.220  176.892   9.2613 1.426361 13.79209 
1 1 1   -5   11   57 o  179.081   6.9406   88.424   6.6952   90.053   9.9049   87.054   9.0851  180.462   10.157  177.701   9.4613 2.761215 13.88114 
1 1 1   -5   11   58 o  106.044   11.299   35.007   5.8124   20.898   8.6064   46.839   7.8813   82.511   19.595  129.577   11.256 -47.06536 22.59744 
1 1 1   -5   11   59 o   94.076   11.939   26.738   5.7899   22.875   8.8035   29.683   7.6861   86.115   19.386  102.037   13.940 -15.92258 23.87747 
1 1 1   -5   11   60 f  198.089   8.0610  110.410   7.9933  109.234   14.206  110.955   9.6693  195.893   13.420  200.285   8.9343 -4.392578 16.12204 
1 1 1   -5   11   61 o  208.351   7.9715  121.149   8.8871  114.685   11.659  130.113   13.730  202.221   10.669  214.481   11.847 -12.26030 15.94307 
1 1 1   -5   11   62 o   97.757   13.713   30.160   6.9938   32.786   9.2559   26.667   10.677  105.273   16.271   90.240   22.077 15.03320 27.42542 
1 1 1   -5   11   63 o  179.862   7.2946   90.277   7.0327  102.402   10.815   81.393   9.2573  190.001   10.534  169.723   10.094 20.27823 14.58922 
1 1 1   -5   11   64 o  122.579   13.195   43.492   8.7400   0.0000   0.0000   43.492   8.7400  ?   ?   122.579   13.195      ?      ? 
1 1 1   -5   11   65 o   66.004   15.278   14.901   6.2215   16.702   9.5915   13.593   8.1744   68.725   22.450   63.282   20.728 5.442257 30.55540 
1 1 1   -5   11   66 o   78.087   14.849   21.472   6.3468   22.197   9.8240   20.953   8.3150   78.063   22.223   78.112   19.702 -0.4892731E-01 29.69877 
1 1 1   -5   11   67 o   53.356   14.780   9.3751   6.3612   5.7876   9.9439   11.860   8.2762   49.115   21.027   57.596   20.776 -8.480652 29.55960 
1 1 1   -5   12    1 o  603.305   10.875  986.339   35.452  990.766   50.334  981.982   49.942  604.645   15.405  601.965   15.354 2.680176 21.74993 
1 1 1   -5   12    2 o  190.961   6.4583   98.424   6.6561   92.185   9.1948  105.293   9.6479  184.614   9.2169  197.307   9.0490 -12.69327 12.91655 
1 1 1   -5   12    3 o  160.606   6.7871   69.800   5.8881   67.995   8.3598   71.577   8.2945  158.542   9.7581  162.670   9.4361 -4.127808 13.57426 
1 1 1   -5   12    4 o  353.416   7.4376  337.948   14.204  338.964   20.114  336.937   20.061  353.946   10.516  352.886   10.520 1.060059 14.87516 
1 1 1   -5   12    5 o  664.009   11.835  1195.12   42.451  1176.35   59.132  1215.09   60.980  658.649   16.614  669.370   16.859 -10.72125 23.66984 
1 1 1   -5   12    6 o  383.697   11.080  398.423   22.974   0.0000   0.0000  398.423   22.974  ?   ?   383.697   11.080      ?      ? 
1 1 1   -5   12   10 o  305.188   10.098  252.027   16.653  252.027   16.653   0.0000   0.0000  305.188   10.098  ?   ?       ?      ? 
1 1 1   -5   12   11 o  713.419   10.915  1387.63   39.985  1354.95   67.710  1405.12   49.548  706.538   17.735  720.300   12.730 -13.76178 21.83064 
1 1 1   -5   12   13 f  291.389   7.0677  229.561   11.129   0.0000   0.0000  229.561   11.129  ?   ?   291.389   7.0677      ?      ? 
1 1 1   -5   12   14 o  124.129   8.3479   41.668   5.5993   0.0000   0.0000   41.668   5.5993  ?   ?   124.129   8.3479      ?      ? 
1 1 1   -5   12   15 f  759.477   9.4452  1561.18   38.747  1532.53   53.888  1591.84   55.753  752.282   13.256  766.673   13.458 -14.39178 18.89032 
1 1 1   -5   12   16 o  1098.32   13.286  3273.05   78.845  3244.35  110.606  3302.71  112.424  1093.44   18.719  1103.20   18.859 -9.755005 26.57217 
1 1 1   -5   12   17 o  220.096   6.9759  130.954   8.2966   0.0000   0.0000  130.954   8.2966  ?   ?   220.096   6.9759      ?      ? 
1 1 1   -5   12   18 o   93.607   7.6599   23.579   3.8501   24.768   5.8360   22.663   5.1233   95.680   11.288   91.534   10.358 4.145828 15.31990 
1 1 1   -5   12   19 o  1118.10   13.504  3389.39   81.570  3346.57  113.946  3434.39  116.821  1110.88   18.982  1125.31   19.211 -14.42981 27.00735 
1 1 1   -5   12   20 o  641.761   8.1876  1114.10   28.390  1121.82   40.532  1106.66   39.777  643.940   11.648  639.583   11.509 4.356812 16.37527 
1 1 1   -5   12   21 o  319.276   5.2595  275.449   9.0710  279.373   13.033  271.762   12.633  321.479   7.5023  317.073   7.3734 4.406403 10.51906 
1 1 1   -5   12   22 o  215.002   5.0674  124.871   5.8707  125.949   8.6507  123.950   7.9930  215.859   7.4164  214.146   6.9073 1.713501 10.13483 
1 1 1   -5   12   23 o  855.068   10.514  1978.08   48.567  1948.16   67.752  2009.71   69.656  848.428   14.778  861.708   14.959 -13.27972 21.02780 
1 1 1   -5   12   24 o  291.577   5.2020  229.880   8.1920  226.949   11.731  232.669   11.444  289.760   7.4924  293.393   7.2187 -3.633453 10.40409 
1 1 1   -5   12   25 o  746.001   9.3260  1505.87   37.594  1502.95   53.257  1508.76   53.075  745.279   13.224  746.723   13.153 -1.444397 18.65193 
1 1 1   -5   12   26 o  323.319   7.4886  282.575   13.083   0.0000   0.0000  282.575   13.083  ?   ?   323.319   7.4886      ?      ? 
1 1 1   -5   12   27 o  837.478   10.340  1898.52   46.791  1887.57   65.964  1909.60   66.383  835.050   14.619  839.907   14.626 -4.857117 20.67931 
1 1 1   -5   12   28 f  1137.27   13.745  3506.63   84.471  3500.37  119.423  3512.91  119.497  1136.25   19.450  1138.29   19.428 -2.038086 27.49079 
1 1 1   -5   12   29 o  118.050   7.9576   37.867   5.0538   34.797   7.2814   40.721   7.0200  113.405   11.882  122.696   10.588 -9.291382 15.91518 
1 1 1   -5   12   30 o  707.096   8.9509  1353.34   34.200  1344.03   48.229  1362.75   48.505  704.651   12.666  709.542   12.651 -4.890808 17.90187 
1 1 1   -5   12   31 o  707.814   8.9554  1355.83   34.246  1335.12   47.855  1377.57   49.028  702.283   12.610  713.346   12.719 -11.06299 17.91084 
1 1 1   -5   12   32 f  879.731   10.851  2096.46   51.577  2072.16   72.216  2121.77   73.687  874.537   15.281  884.925   15.410 -10.38715 21.70223 
1 1 1   -5   12   33 o  650.706   8.4147  1144.83   29.565  1113.55   40.856  1179.22   42.838  641.396   11.788  660.015   12.011 -18.61902 16.82934 
1 1 1   -5   12   34 o  990.168   12.118  2654.84   64.751  2572.21   88.835  2748.51   94.580  973.818   16.882  1006.52   17.390 -32.69971 24.23611 
1 1 1   -5   12   35 o  563.161   7.6145  858.239   23.170  846.915   32.555  869.864   32.985  559.396   10.770  566.925   10.767 -7.528687 15.22895 
1 1 1   -5   12   36 o  420.624   6.4488  478.732   14.656  478.819   20.890  478.647   20.566  420.657   9.1903  420.591   9.0491 0.6570435E-01 12.89759 
1 1 1   -5   12   37 o  295.876   6.0007  236.330   9.5725  244.081   14.102  229.706   13.036  300.356   8.6885  291.396   8.2789 8.960449 12.00132 
1 1 1   -5   12   38 o  459.113   6.6798  570.203   16.565  551.269   23.058  590.398   23.814  451.242   9.4564  466.984   9.4370 -15.74210 13.35967 
1 1 1   -5   12   39 f  310.536   5.9540  261.230   9.9816  255.424   14.330  266.703   13.912  307.167   8.6334  313.906   8.2014 -6.738983 11.90794 
1 1 1   -5   12   40 o  161.279   7.4926   71.041   6.4756   64.981   9.5257   76.247   8.8297  154.796   11.388  167.762   9.7401 -12.96622 14.98519 
1 1 1   -5   12   41 o  228.795   6.1907  141.964   7.6445  135.921   10.910  147.792   10.714  223.989   9.0142  233.601   8.4879 -9.612305 12.38144 
1 1 1   -5   12   42 o  275.310   9.0966  206.005   13.496  204.302   18.385  207.995   19.875  274.140   12.411  276.481   13.303 -2.340881 18.19324 
1 1 1   -5   12   43 o  244.814   12.305  163.040   16.279  163.040   16.279   0.0000   0.0000  244.814   12.305  ?   ?       ?      ? 
1 1 1   -5   12   44 o  421.214   12.184  483.108   27.732   0.0000   0.0000  483.108   27.732  ?   ?   421.214   12.184      ?      ? 
1 1 1   -5   12   45 o  323.581   7.5271  276.068   11.791  304.955   22.877  265.618   13.759  334.271   12.665  312.891   8.1380 21.38068 15.05423 
1 1 1   -5   12   46 o   89.439   12.041   22.682   5.6127   20.776   8.5725   24.112   7.4255   85.065   19.115   93.812   14.648 -8.747398 24.08242 
1 1 1   -5   12   47 o  269.029   5.8863  196.818   8.5367  193.014   12.442  200.202   11.734  266.514   8.6395  271.543   7.9970 -5.028687 11.77255 
1 1 1   -5   12   48 o  173.329   6.8727   82.232   6.3901   78.450   9.5006   85.355   8.6351  169.572   10.368  177.085   9.0240 -7.513763 13.74536 
1 1 1   -5   12   49 o  265.590   5.8754  191.473   8.4116  197.487   12.408  186.360   11.442  269.393   8.5239  261.786   8.0885 7.606415 11.75080 
1 1 1   -5   12   50 o  319.492   7.5527  277.959   12.310  275.277   15.071  283.333   21.336  317.838   8.7752  321.146   12.295 -3.307861 15.10539 
1 1 1   -5   12   51 o  216.985   9.3255  131.233   10.826  112.883   15.541  148.536   15.091  201.710   14.258  232.261   12.024 -30.55113 18.65104 
1 1 1   -5   12   52 o  234.855   9.1213  151.971   11.549  161.824   17.055  143.626   15.695  241.791   13.053  227.918   12.744 13.87334 18.24262 
1 1 1   -5   12   53 o  290.782   5.9395  231.577   9.3017  223.869   13.582  238.387   12.766  286.059   8.7864  295.505   7.9944 -9.446045 11.87900 
1 1 1   -5   12   54 o  128.889   8.6898   47.090   5.9177   39.313   8.8188   53.460   7.9815  118.560   13.765  139.218   10.610 -20.65852 17.37954 
1 1 1   -5   12   55 o   92.031   12.094   26.394   5.6590   15.583   8.4554   35.166   7.6163   71.788   20.674  112.275   12.554 -40.48779 24.18715 
1 1 1   -5   12   56 o  215.268   6.3360  127.946   7.2826  124.004   11.090  130.935   9.6566  212.024   9.6795  218.512   8.1783 -6.487350 12.67191 
1 1 1   -5   12   57 o  174.990   7.2214   85.107   6.7422   83.292   10.321   86.458   8.9048  172.986   11.041  176.995   9.3105 -4.008728 14.44282 
1 1 1   -5   12   58 o   58.543   14.713   9.6735   5.8190   8.8152   9.0851   10.270   7.5772   57.834   21.611   59.253   19.972 -1.418877 29.42660 
1 1 1   -5   12   59 o   46.426   13.801   2.3573   5.7853   3.9904   9.0630   1.2342   7.5157   49.950   20.644   42.902   18.321 7.047745 27.60134 
1 1 1   -5   12   60 o   71.259   15.079   17.214   6.4613   8.6464   12.312   20.471   7.5906   60.653   24.435   81.866   17.676 -21.21309 30.15798 
1 1 1   -5   12   61 o  137.940   10.887   56.849   7.2760   52.568   13.303   58.676   8.6912  131.630   18.703  144.250   11.150 -12.61989 21.77414 
1 1 1   -5   12   62 o  200.432   8.1600  112.432   8.7064  102.287   11.209  127.860   13.823  189.814   10.928  211.050   12.121 -21.23601 16.31999 
1 1 1   -5   12   63 o  152.127   8.5393   65.620   6.9691   77.576   10.441   56.014   9.3591  164.733   11.729  139.520   12.414 25.21271 17.07861 
1 1 1   -5   12   64 o   51.237   14.434   5.4937   6.4012  -0.8374   9.5153   10.728   8.6515   43.642   19.551   58.833   21.239 -15.19091 28.86753 
1 1 1   -5   12   65 o   42.406   13.323   1.3649   6.1071  -0.3262   9.4224   2.5900   8.0196   41.944   19.060   42.867   18.620 -0.9238205 26.64536 
1 1 1   -5   12   66 o   71.048   15.380   17.291   6.4967   25.078   10.350   12.227   8.3458   82.671   22.545   59.426   20.924 23.24505 30.75908 
1 1 1   -5   13    1 o  286.563   7.2242  222.041   11.187   0.0000   0.0000  222.041   11.187  ?   ?   286.563   7.2242      ?      ? 
1 1 1   -5   13    2 o  532.059   8.8229  759.180   23.444  786.036   42.516  747.446   28.103  538.528   14.610  525.590   9.8950 12.93829 17.64573 
1 1 1   -5   13    3 o  756.840   13.468  1555.69   55.075  1540.09   77.227  1571.85   78.566  752.992   18.980  760.688   19.114 -7.695251 26.93616 
1 1 1   -5   13    4 o  319.011   7.7588  275.423   13.373  276.802   19.105  274.099   18.725  319.789   11.056  318.233   10.889 1.556458 15.51767 
1 1 1   -5   13    5 o  164.493   8.5624   73.132   7.6022   75.968   11.078   70.608   10.452  167.498   12.239  161.488   11.977 6.009949 17.12474 
1 1 1   -5   13    6 o  651.878   11.840  1152.56   41.696  1163.06   59.706  1142.57   58.254  654.755   16.875  649.002   16.611 5.753296 23.67912 
1 1 1   -5   13    7 o  297.866   10.491  240.090   16.886   0.0000   0.0000  240.090   16.886  ?   ?   297.866   10.491      ?      ? 
1 1 1   -5   13    8 o  640.852   8.1741  1109.64   28.264  1146.86   41.350  1077.00   38.723  650.901   11.756  630.803   11.360 20.09839 16.34829 
1 1 1   -5   13    9 o  440.533   6.1946  524.375   14.733  536.236   21.382  513.654   20.329  445.265   8.8867  435.802   8.6323 9.463287 12.38912 
1 1 1   -5   13   10 o  227.163   5.1422  139.843   6.2921  134.742   9.1704  144.381   8.6492  223.232   7.6022  231.094   6.9263 -7.861847 10.28431 
1 1 1   -5   13   11 o  252.555   7.3395  172.455   10.016  172.455   10.016   0.0000   0.0000  252.555   7.3395  ?   ?       ?      ? 
1 1 1   -5   13   12 o  466.835   6.4441  589.413   16.254  591.804   23.184  587.102   22.794  467.762   9.1724  465.907   9.0540 1.855469 12.88829 
1 1 1   -5   13   13 o  546.384   7.2094  807.638   21.285  803.845   30.148  811.408   30.056  545.102   10.235  547.666   10.156 -2.563721 14.41889 
1 1 1   -5   13   14 o  205.576   5.2581  114.362   5.8353  110.896   8.3546  117.663   8.1538  202.528   7.6340  208.623   7.2329 -6.094574 10.51627 
1 1 1   -5   13   15 o  653.579   8.3200  1154.93   29.369  1128.76   40.742  1183.24   42.373  645.885   11.673  661.273   11.858 -15.38776 16.63999 
1 1 1   -5   13   16 o  113.873   7.1412   34.907   4.3633   41.159   6.3979   29.471   5.9660  123.366   9.5974  104.381   10.577 18.98533 14.28249 
1 1 1   -5   13   19 o  460.722   9.0336  573.917   22.490   0.0000   0.0000  573.917   22.490  ?   ?   460.722   9.0336      ?      ? 
1 1 1   -5   13   20 o  504.391   6.8208  687.855   18.589  690.756   26.496  685.044   26.086  505.436   9.7012  503.346   9.5906 2.089905 13.64157 
1 1 1   -5   13   21 o  946.914   11.578  2427.60   59.244  2432.31   84.073  2422.95   83.497  947.823   16.415  946.006   16.334 1.816589 23.15694 
1 1 1   -5   13   22 o  442.248   6.2694  528.741   14.981  530.275   21.347  527.253   21.029  442.878   8.9199  441.618   8.8124 1.260437 12.53886 
1 1 1   -5   13   23 o  878.896   10.796  2090.98   51.270  2073.48   72.000  2108.98   73.024  875.171   15.225  882.622   15.311 -7.450867 21.59209 
1 1 1   -5   13   24 o  703.799   8.8805  1339.91   33.770  1323.42   47.348  1356.98   48.179  699.395   12.528  708.202   12.590 -8.806946 17.76110 
1 1 1   -5   13   25 o  961.106   11.734  2500.31   60.911  2453.78   84.634  2550.31   87.732  951.855   16.455  970.358   16.732 -18.50287 23.46705 
1 1 1   -5   13   26 o  463.954   6.5209  581.939   16.347  573.198   22.965  590.918   23.275  460.423   9.2302  467.486   9.2137 -7.063080 13.04183 
1 1 1   -5   13   27 o  778.573   9.7257  1640.74   40.917  1631.31   57.675  1650.29   58.058  776.321   13.749  780.824   13.760 -4.502380 19.45144 
1 1 1   -5   13   28 o  831.132   10.327  1867.23   46.323  1804.85   63.597  1937.73   67.608  816.398   14.416  845.866   14.791 -29.46820 20.65452 
1 1 1   -5   13   29 o  459.531   6.5848  569.272   16.323  538.824   22.303  604.394   23.953  446.345   9.2469  472.717   9.3772 -26.37189 13.16958 
1 1 1   -5   13   30 f  550.309   10.449  819.290   31.072   0.0000   0.0000  819.290   31.072  ?   ?   550.309   10.449      ?      ? 
1 1 1   -5   13   31 o  994.244   12.157  2677.99   65.268  2616.22   90.313  2745.51   94.430  982.292   17.015  1006.20   17.368 -23.90515 24.31317 
1 1 1   -5   13   32 o  627.684   8.2253  1066.34   27.897  1054.78   39.225  1078.18   39.685  624.240   11.628  631.127   11.636 -6.886902 16.45064 
1 1 1   -5   13   33 o  397.020   6.3055  426.184   13.525  414.517   18.937  438.329   19.322  391.475   8.9520  402.565   8.8826 -11.09061 12.61105 
1 1 1   -5   13   34 f  873.274   10.826  2066.60   51.062  2022.72   70.902  2113.87   73.598  863.677   15.192  882.872   15.427 -19.19592 21.65157 
1 1 1   -5   13   35 o  444.363   6.6688  530.936   15.957  493.574   21.499  576.768   23.811  427.076   9.3158  461.650   9.5451 -34.57385 13.33767 
1 1 1   -5   13   36 o   67.906   14.716   12.483   5.9321   14.340   8.5612   10.768   8.2274   71.841   20.836   63.972   20.787 7.869465 29.43207 
1 1 1   -5   13   37 o  108.863   11.303   33.421   6.3224   27.373   9.3962   38.425   8.5466   98.721   18.287  119.006   13.290 -20.28503 22.60668 
1 1 1   -5   13   38 o   48.709   13.237   1.8648   5.7003  -8.6243   8.8543   9.2891   7.4493   37.613   17.577   59.805   19.797 -22.19154 26.47397 
1 1 1   -5   13   39 o  724.781   9.2323  1426.24   36.157  1413.50   50.954  1439.16   51.316  721.519   13.069  728.044   13.044 -6.525635 18.46460 
1 1 1   -5   13   40 o  329.763   6.0102  294.736   10.702  285.469   15.252  303.724   15.020  324.634   8.6946  334.892   8.3002 -10.25739 12.02038 
1 1 1   -5   13   41 o  462.706   9.3930  580.689   23.401  603.829   34.861  561.712   31.570  470.965   13.698  454.447   12.856 16.51807 18.78605 
1 1 1   -5   13   42 o  244.810   12.556  163.086   16.609  163.086   16.609   0.0000   0.0000  244.810   12.556  ?   ?       ?      ? 
1 1 1   -5   13   43 o  636.215   11.848  1109.79   40.696  1109.91   58.804  1109.69   56.380  636.050   17.109  636.381   16.395 -0.3304443 23.69643 
1 1 1   -5   13   44 o  139.321   10.893   56.982   7.0175   45.698   13.388   61.258   8.2403  128.556   19.272  150.087   10.160 -21.53041 21.78606 
1 1 1   -5   13   45 o  256.923   6.0333  179.182   8.3276  179.290   12.467  179.095   11.190  256.928   8.9798  256.919   8.0603 0.9124756E-02 12.06667 
1 1 1   -5   13   46 o  318.597   5.9303  274.247   10.150  288.725   15.354  263.008   13.527  325.958   8.7168  311.236   8.0432 14.72244 11.86067 
1 1 1   -5   13   47 o  272.459   5.9423  201.883   8.7336  201.169   12.718  202.520   12.014  271.951   8.6545  272.967   8.1452 -1.015961 11.88465 
1 1 1   -5   13   48 o  105.255   10.120   30.483   5.7117   30.942   8.6532   30.129   7.6034  105.834   15.131  104.676   13.442 1.157913 20.23954 
1 1 1   -5   13   49 o  129.816   10.916   45.647   7.3898   42.850   9.1896   50.766   12.432  124.678   13.640  134.955   17.048 -10.27630 21.83282 
1 1 1   -5   13   50 o  230.304   9.2251  146.477   11.477  146.419   16.439  146.531   16.030  230.195   13.216  230.414   12.875 -0.2187347 18.45014 
1 1 1   -5   13   51 o  174.334   10.811   84.660   10.174   89.459   14.780   80.338   14.026  179.024   15.278  169.644   15.301 9.380264 21.62268 
1 1 1   -5   13   52 o  266.201   6.1352  194.615   8.7786  182.649   12.833  205.139   12.035  258.282   9.1952  274.119   8.1247 -15.83676 12.27034 
1 1 1   -5   13   53 o  126.056   8.9077   43.884   6.0348   46.988   9.1215   41.468   8.0480  129.878   12.997  122.233   12.185 7.645119 17.81535 
1 1 1   -5   13   54 o   73.833   13.643   15.756   5.5044   21.092   8.6050   12.061   7.1611   83.770   19.393   63.896   19.195 19.87410 27.28572 
1 1 1   -5   13   55 o   64.905   14.545   12.135   5.6914   15.255   8.8210   9.9087   7.4495   70.837   21.309   58.972   19.804 11.86518 29.09050 
1 1 1   -5   13   56 o   54.864   14.341   7.6058   5.5603   8.3983   8.6654   7.0512   7.2496   57.051   21.148   52.678   19.377 4.373154 28.68228 
1 1 1   -5   13   57 o  125.079   9.2626   44.604   6.1580   41.642   9.3956   46.834   8.1534  120.838   14.389  129.320   11.668 -8.481880 18.52516 
1 1 1   -5   13   58 o  111.695   10.148   35.265   6.0797   40.204   9.3078   31.590   8.0292  118.327   14.557  105.062   14.143 13.26414 20.29597 
1 1 1   -5   13   59 o  246.976   6.3852  169.122   8.4728  166.062   12.605  171.643   11.443  244.593   9.5372  249.358   8.4927 -4.764954 12.77044 
1 1 1   -5   13   60 o  123.505   10.038   45.335   6.4510   37.713   9.9681   50.827   8.4621  113.008   16.323  134.001   11.686 -20.99285 20.07556 
1 1 1   -5   13   61 o  174.627   9.2361   87.684   7.9810   88.131   14.479   87.490   9.5654  172.717   15.514  176.536   10.027 -3.818649 18.47224 
1 1 1   -5   13   62 o  148.412   8.8096   63.317   7.0472   66.979   10.428   60.238   9.5611  152.177   12.681  144.647   12.232 7.529541 17.61910 
1 1 1   -5   13   63 o  119.393   12.897   41.723   7.8344   29.437   9.9898   61.351   12.627   95.683   19.967  143.102   16.329 -47.41879 25.79364 
1 1 1   -5   13   64 f  156.868   8.7386   73.165   7.3032   71.230   11.174   74.608   9.6496  153.775   13.447  159.962   11.164 -6.186401 17.47719 
1 1 1   -5   13   65 o   91.526   13.612   29.701   6.6153   18.730   10.143   37.822   8.7268   71.259   23.075  111.793   14.446 -40.53331 27.22387 
1 1 1   -5   13   66 o  113.702   11.707   42.555   6.8467   38.404   10.382   45.749   9.1077  105.599   18.888  121.806   13.837 -16.20712 23.41450 
1 1 1   -5   14    1 o  998.081   17.344  2712.36   93.530  2736.49  133.626  2689.19  130.958  1002.39   24.670  993.776   24.387 8.610168 34.68893 
1 1 1   -5   14    2 o  527.493   10.151  751.495   28.865  786.487   42.621  721.847   39.233  538.772   14.640  516.213   14.065 22.55902 20.30107 
1 1 1   -5   14    3 o  490.814   13.724  652.477   36.398   0.0000   0.0000  652.477   36.398  ?   ?   490.814   13.724      ?      ? 
1 1 1   -5   14    4 o  663.960   8.4587  1193.23   30.346  1200.89   43.203  1185.77   42.635  666.059   12.004  661.861   11.921 4.197693 16.91742 
1 1 1   -5   14    5 o  134.380   9.0971   48.843   6.6058   0.0000   0.0000   48.843   6.6058  ?   ?   134.380   9.0971      ?      ? 
1 1 1   -5   14    6 o  778.794   9.7021  1642.62   40.827  1651.22   58.093  1634.23   57.391  780.802   13.769  776.787   13.673 4.014343 19.40413 
1 1 1   -5   14    7 o  844.273   10.431  1930.17   47.567  1896.00   66.149  1966.75   68.450  836.559   14.633  851.987   14.868 -15.42841 20.86105 
1 1 1   -5   14    8 o  547.209   7.2406  810.076   21.409  811.000   30.441  809.171   30.115  547.514   10.289  546.903   10.190 0.6109009 14.48118 
1 1 1   -5   14    9 o  507.951   6.8791  697.901   18.882  693.324   26.685  702.491   26.720  506.282   9.7541  509.621   9.7030 -3.338928 13.75827 
1 1 1   -5   14   10 f  575.096   7.5415  894.721   23.434  896.162   33.367  893.318   32.920  575.548   10.729  574.643   10.602 0.9051514 15.08300 
1 1 1   -5   14   13 o  911.633   11.196  2251.02   55.152  2231.80   77.496  2270.74   78.508  907.696   15.800  915.570   15.868 -7.873535 22.39277 
1 1 1   -5   14   14 o  479.785   6.6492  622.437   17.237  610.829   24.259  634.275   24.498  475.265   9.4459  484.304   9.3609 -9.039246 13.29850 
1 1 1   -5   14   15 o  1641.26   19.649  7331.90  174.266  7344.35  247.017  7319.56  245.885  1642.63   27.829  1639.89   27.748 2.739868 39.29890 
1 1 1   -5   14   16 o  732.679   9.2069  1452.27   36.446  1432.73   51.026  1472.62   52.076  727.654   12.977  737.705   13.064 -10.05151 18.41383 
1 1 1   -5   14   17 o  297.800   5.4316  239.567   8.7365  229.700   12.194  249.974   12.523  291.502   7.7414  304.097   7.6210 -12.59512 10.86314 
1 1 1   -5   14   18 o  1067.92   12.972  3089.43   74.857  3073.04  105.473  3106.06  106.258  1065.07   18.326  1070.77   18.365 -5.700073 25.94429 
1 1 1   -5   14   19 o  621.345   11.377  1044.14   38.198   0.0000   0.0000  1044.14   38.198  ?   ?   621.345   11.377      ?      ? 
1 1 1   -5   14   20 o  868.995   10.709  2044.05   50.285  2048.89   71.396  2039.30   70.835  870.010   15.187  867.981   15.102 2.028870 21.41770 
1 1 1   -5   14   21 o  567.743   10.570  871.720   32.428   0.0000   0.0000  871.720   32.428  ?   ?   567.743   10.570      ?      ? 
1 1 1   -5   14   23 o  852.412   10.533  1963.24   48.447  1900.07   66.410  2035.11   70.833  837.807   14.669  867.017   15.119 -29.20996 21.06564 
1 1 1   -5   14   24 o  304.452   5.5294  250.523   9.0882  251.691   13.152  249.456   12.573  305.127   7.9770  303.776   7.6592 1.350922 11.05871 
1 1 1   -5   14   25 o  561.144   7.4702  851.682   22.651  846.635   32.058  856.714   32.009  559.482   10.604  562.807   10.525 -3.324951 14.94036 
1 1 1   -5   14   26 o  495.184   6.8743  663.049   18.393  651.759   25.822  674.677   26.205  490.905   9.7341  499.463   9.7093 -8.557922 13.74860 
1 1 1   -5   14   27 o  873.346   10.799  2064.91   50.937  2020.84   70.663  2112.56   73.491  863.676   15.141  883.017   15.402 -19.34131 21.59797 
1 1 1   -5   14   28 o  652.046   8.4586  1148.09   29.760  1104.28   40.761  1198.11   43.551  638.767   11.809  665.324   12.114 -26.55707 16.91725 
1 1 1   -5   14   29 o  403.240   6.2517  437.496   13.587  406.642   18.443  474.121   20.093  387.772   8.8015  418.708   8.8807 -30.93634 12.50337 
1 1 1   -5   14   30 o  633.152   8.2671  1085.05   28.284  1078.95   39.960  1091.16   40.040  631.369   11.713  634.935   11.670 -3.565918 16.53422 
1 1 1   -5   14   31 o   70.153   14.872   13.514   6.0857   12.863   8.8296   14.103   8.3994   68.997   21.430   71.309   20.626 -2.312424 29.74321 
1 1 1   -5   14   32 o  616.490   8.1443  1027.05   27.105  989.896   37.339  1068.43   39.409  604.734   11.426  628.245   11.608 -23.51099 16.28860 
1 1 1   -5   14   33 o  952.365   11.727  2461.90   60.348  2441.73   84.836  2482.55   85.863  948.426   16.553  956.303   16.616 -7.877197 23.45428 
1 1 1   -5   14   34 o  355.223   6.1879  340.788   11.864  319.587   16.424  363.927   17.158  343.684   8.8434  366.762   8.6576 -23.07797 12.37579 
1 1 1   -5   14   35 o  256.369   8.9317  177.863   12.373  177.863   12.373   0.0000   0.0000  256.369   8.9317  ?   ?       ?      ? 
1 1 1   -5   14   36 o  309.708   6.0727  259.799   10.152  255.683   14.630  263.622   14.099  307.326   8.8098  312.091   8.3605 -4.764709 12.14537 
1 1 1   -5   14   37 o  606.723   11.323  998.035   37.124   0.0000   0.0000  998.035   37.124  ?   ?   606.723   11.323      ?      ? 
1 1 1   -5   14   38 o  219.885   6.4947  131.525   7.6818  122.751   11.158  139.431   10.592  212.852   9.7012  226.918   8.6377 -14.06662 12.98940 
1 1 1   -5   14   39 o  467.779   9.4514  594.992   23.862  593.694   34.583  596.171   32.966  467.218   13.698  468.339   13.026 -1.121155 18.90275 
1 1 1   -5   14   40 o  256.619   8.3711  179.033   11.430  178.491   17.774  179.414   14.925  256.158   12.841  257.080   10.744 -0.9222717 16.74229 
1 1 1   -5   14   41 o  306.501   12.441  255.631   20.606  255.631   20.606   0.0000   0.0000  306.501   12.441  ?   ?       ?      ? 
1 1 1   -5   14   42 o  284.193   6.2019  217.736   9.4667  231.210   14.350  207.353   12.597  291.884   9.0982  276.502   8.4307 15.38223 12.40380 
1 1 1   -5   14   43 f  241.338   7.7395  162.395   9.3121  148.311   16.380  169.122   11.319  233.043   13.007  249.633   8.3914 -16.59019 15.47896 
1 1 1   -5   14   44 o  532.570   7.3803  771.844   21.235  769.020   30.321  774.562   29.748  531.570   10.556  533.569   10.318 -1.998352 14.76070 
1 1 1   -5   14   45 o  136.105   8.5642   51.495   6.1857   43.672   9.1629   58.046   8.3846  126.268   13.429  145.943   10.632 -19.67496 17.12839 
1 1 1   -5   14   46 o  103.746   11.090   30.836   5.9040   24.850   8.7218   35.900   8.0210   93.088   17.990  114.404   12.975 -21.31576 22.18087 
1 1 1   -5   14   47 o   56.540   14.071   6.5200   5.5582   13.242   8.6851   1.8573   7.2336   68.436   21.253   44.644   18.446 23.79186 28.14193 
1 1 1   -5   14   48 o  262.070   7.7223  185.685   10.411  180.691   12.809  195.405   17.870  257.425   9.2084  266.715   12.399 -9.289703 15.44457 
1 1 1   -5   14   49 o  112.020   15.620   36.915   9.2394   41.306   12.815   32.162   13.333  120.673   19.653  103.368   24.283 17.30452 31.23939 
1 1 1   -5   14   50 f  228.848   9.3325  145.147   11.526  151.194   16.152  138.874   16.452  233.881   12.780  223.815   13.603 10.06589 18.66492 
1 1 1   -5   14   51 o  138.487   8.4027   51.793   6.2090   60.656   9.7724   45.794   8.0405  148.119   12.210  128.855   11.548 19.26443 16.80544 
1 1 1   -5   14   52 o  143.317   8.0775   56.311   6.2035   60.604   9.5265   53.151   8.1742  147.868   11.923  138.766   10.901 9.102417 16.15492 
1 1 1   -5   14   53 o  115.852   9.4815   37.637   5.8587   36.891   8.9782   38.191   7.7318  114.511   14.509  117.192   12.209 -2.681145 18.96293 
1 1 1   -5   14   54 o   81.782   13.497   20.357   5.8249   18.911   8.8820   21.448   7.7160   78.589   20.647   84.974   17.390 -6.384468 26.99462 
1 1 1   -5   14   55 f  163.641   7.5216   74.373   6.5676   73.643   10.083   74.912   8.6554  162.594   11.476  164.689   9.7260 -2.094330 15.04329 
1 1 1   -5   14   56 o  141.644   8.4702   56.320   6.4118   55.832   9.7842   56.687   8.4885  140.708   12.868  142.581   11.017 -1.872726 16.94039 
1 1 1   -5   14   57 o  111.741   10.602   36.670   6.1744   32.575   9.7550   39.407   7.9753  105.377   17.131  118.105   12.496 -12.72775 21.20490 
1 1 1   -5   14   58 o  195.520   7.1940  107.522   7.5139   96.574   11.101  116.777   10.207  185.711   11.063  205.329   9.1997 -19.61812 14.38795 
1 1 1   -5   14   59 o   83.512   13.174   23.448   6.2313   10.249   9.5608   33.196   8.2161   59.809   22.205  107.215   14.181 -47.40617 26.34703 
1 1 1   -5   14   60 o  279.158   6.3570  216.448   9.5513  220.626   14.206  213.001   12.903  281.288   9.3461  277.027   8.6194 4.260559 12.71391 
1 1 1   -5   14   61 o   87.205   13.974   25.286   6.3919   21.978   9.9083   27.644   8.3652   80.184   22.139   94.225   17.058 -14.04028 27.94832 
1 1 1   -5   14   62 o   76.055   16.849   19.777   7.4581   19.637   13.222   19.842   9.0322   74.600   26.330   77.510   21.030 -2.909775 33.69726 
1 1 1   -5   14   63 o  146.131   10.391   63.158   8.1229   53.977   10.671   75.811   12.526  133.671   14.773  158.592   14.617 -24.92105 20.78188 
1 1 1   -5   14   64 o   42.109   13.795  -3.0784   7.3860  -4.2187   9.8468  -1.6115   11.168   39.862   18.597   44.357   20.379 -4.494888 27.58925 
1 1 1   -5   14   65 o   97.558   13.753   32.496   6.9304   36.424   10.724   29.678   9.0819  101.825   20.203   93.292   18.667 8.533249 27.50643 
1 1 1   -5   15    2 o  986.379   12.061  2636.82   64.280  2657.60   91.663  2616.71   90.167  990.189   17.131  982.570   16.982 7.618958 24.12222 
1 1 1   -5   15    6 o  499.858   6.8599  675.745   18.529  673.460   26.211  678.028   26.196  499.013   9.7205  500.704   9.6821 -1.691467 13.71972 
1 1 1   -5   15   10 o  370.635   8.1346  371.395   16.292   0.0000   0.0000  371.395   16.292  ?   ?   370.635   8.1346      ?      ? 
1 1 1   -5   15   11 o  348.174   7.9133  327.727   14.888   0.0000   0.0000  327.727   14.888  ?   ?   348.174   7.9133      ?      ? 
1 1 1   -5   15   12 o  1223.34   14.758  4059.54   97.555  4056.23  137.955  4062.86  137.973  1222.83   20.878  1223.84   20.863 -1.001709 29.51523 
1 1 1   -5   15   13 o  1353.88   16.285  4974.99  119.136  4947.84  167.635  5002.70  169.345  1350.16   22.977  1357.59   23.084 -7.435303 32.57025 
1 1 1   -5   15   14 o  298.320   7.8079  240.571   12.586   0.0000   0.0000  240.571   12.586  ?   ?   298.320   7.8079      ?      ? 
1 1 1   -5   15   15 o  591.762   7.7883  947.062   24.903  944.181   35.359  949.898   35.079  590.866   11.075  592.659   10.954 -1.792297 15.57651 
1 1 1   -5   15   16 o   97.596   9.1374   25.776   4.8172   26.243   6.7691   25.297   6.8569   98.494   12.718   96.698   13.123 1.795837 18.27475 
1 1 1   -5   15   18 o  1395.68   16.756  5287.77  126.365  5265.28  178.064  5310.58  179.355  1392.70   23.661  1398.66   23.731 -5.959473 33.51109 
1 1 1   -5   15   19 o  615.424   8.0150  1024.47   26.654  1021.32   37.766  1027.60   37.623  614.478   11.374  616.370   11.296 -1.891174 16.02993 
1 1 1   -5   15   20 o  1133.56   13.730  3482.79   84.097  3451.90  118.008  3514.67  119.875  1128.46   19.353  1138.65   19.483 -10.18945 27.46077 
1 1 1   -5   15   21 o  912.829   11.253  2253.30   55.455  2189.25   76.431  2324.50   80.584  899.174   15.730  926.485   16.096 -27.31073 22.50627 
1 1 1   -5   15   22 f  218.100   5.9371  128.022   6.9781  136.433   10.346  121.002   9.4515  224.640   8.5232  211.560   8.2676 13.08046 11.87424 
1 1 1   -5   15   23 o  757.513   9.5554  1552.70   39.107  1531.37   54.691  1575.02   55.941  752.196   13.455  762.831   13.571 -10.63477 19.11074 
1 1 1   -5   15   24 o  493.423   6.8973  658.042   18.384  641.999   25.592  675.149   26.426  487.215   9.7205  499.632   9.7879 -12.41721 13.79461 
1 1 1   -5   15   25 o  416.724   6.3274  469.233   14.242  452.517   19.820  487.079   20.479  409.056   8.9667  424.392   8.9299 -15.33548 12.65480 
1 1 1   -5   15   26 o  498.315   7.0143  671.245   18.881  649.414   26.317  694.398   27.103  489.971   9.9399  506.660   9.8994 -16.68829 14.02858 
1 1 1   -5   15   27 o  291.527   6.0766  229.956   9.5649  225.963   13.733  233.719   13.330  289.062   8.7917  293.992   8.3909 -4.930573 12.15322 
1 1 1   -5   15   28 o  546.918   7.4889  808.923   22.127  789.225   30.891  829.677   31.709  540.085   10.585  553.752   10.597 -13.66742 14.97779 
1 1 1   -5   15   29 o   99.048   12.519   27.423   6.4571   24.728   9.7100   29.560   8.6459   93.666   19.804  104.430   15.321 -10.76414 25.03839 
1 1 1   -5   15   30 o  548.938   7.5511  814.909   22.391  793.628   31.194  837.527   32.160  541.552   10.660  556.325   10.698 -14.77301 15.10218 
1 1 1   -5   15   31 o  364.059   6.3040  357.683   12.381  330.631   17.086  387.598   17.967  349.592   9.0445  378.526   8.7840 -28.93433 12.60802 
1 1 1   -5   15   32 o  428.205   6.6781  496.216   15.450  484.788   21.795  507.757   21.904  423.243   9.5298  433.166   9.3579 -9.922974 13.35622 
1 1 1   -5   15   33 o  652.356   8.5327  1152.93   30.078  1146.95   42.563  1158.89   42.511  650.661   12.106  654.050   12.028 -3.389099 17.06542 
1 1 1   -5   15   34 o  295.213   6.2886  236.014   10.023  232.386   14.411  239.412   13.950  293.002   9.1022  297.423   8.6795 -4.421509 12.57712 
1 1 1   -5   15   35 o  606.628   8.0783  997.502   26.479  981.462   37.186  1014.00   37.712  601.680   11.437  611.577   11.412 -9.896729 16.15663 
1 1 1   -5   15   36 o  384.665   6.3815  400.633   13.257  402.372   19.099  399.017   18.415  385.457   9.1696  383.874   8.8775 1.582184 12.76290 
1 1 1   -5   15   37 o  169.657   10.121   85.188   8.1488   62.770   14.563   95.406   9.8321  151.676   17.768  187.638   9.6970 -35.96255 20.24212 
1 1 1   -5   15   38 o  398.858   8.8019  432.999   18.936  417.793   27.312  447.072   26.275  392.021   12.893  405.695   11.986 -13.67386 17.60376 
1 1 1   -5   15   39 o  321.035   8.3896  280.866   14.476  272.297   21.426  288.063   19.636  316.408   12.532  325.663   11.158 -9.254822 16.77923 
1 1 1   -5   15   40 o  419.194   8.3935  472.979   17.509  465.351   20.929  490.766   31.958  414.151   9.3520  424.237   13.941 -10.08588 16.78703 
1 1 1   -5   15   41 o  260.804   8.3438  184.494   11.759   0.0000   0.0000  184.494   11.759  ?   ?   260.804   8.3438      ?      ? 
1 1 1   -5   15   42 o  338.417   7.6291  314.581   12.864  304.279   23.014  319.263   15.514  333.851   12.757  342.982   8.3708 -9.131012 15.25829 
1 1 1   -5   15   43 o  486.429   7.0024  643.617   18.401  630.661   26.110  656.402   25.938  481.522   10.035  491.336   9.7693 -9.814240 14.00476 
1 1 1   -5   15   44 o  288.270   6.0928  226.241   9.4540  220.742   13.901  230.974   12.895  284.923   9.0289  291.617   8.1834 -6.694061 12.18564 
1 1 1   -5   15   45 o  139.040   8.4189   53.305   6.2182   50.569   9.5800   55.296   8.1741  135.754   13.060  142.327   10.628 -6.573441 16.83784 
1 1 1   -5   15   46 o  282.514   6.0168  216.761   9.1468  221.688   13.638  212.734   12.331  285.346   8.8449  279.683   8.1594 5.662476 12.03364 
1 1 1   -5   15   47 o   83.245   16.384   18.631   8.8311   3.4865   12.294   34.775   12.694   57.729   23.966  108.760   22.346 -51.03143 32.76759 
1 1 1   -5   15   48 f  303.789   8.8884  253.558   14.565  271.171   21.374  238.288   19.900  313.582   12.614  293.996   12.527 19.58615 17.77690 
1 1 1   -5   15   49 o  226.717   9.5795  141.929   11.712  131.014   16.034  154.414   17.148  217.363   13.651  236.070   13.443 -18.70679 19.15895 
1 1 1   -5   15   50 o   63.189   14.599   11.345   5.7579   9.6145   8.7888   12.646   7.6213   60.510   21.455   65.868   19.805 -5.358070 29.19845 
1 1 1   -5   15   51 o  201.947   6.5898  110.661   7.1326  121.687   10.969  102.583   9.3887  210.453   9.6452  193.442   8.9819 17.01120 13.17966 
1 1 1   -5   15   52 o  133.984   8.7676   49.579   6.2897   52.695   9.6773   47.300   8.2761  137.397   13.034  130.572   11.730 6.824295 17.53513 
1 1 1   -5   15   53 o  117.883   9.8921   40.068   6.1093   34.456   9.4370   44.116   8.0157  109.902   15.891  125.864   11.786 -15.96211 19.78418 
1 1 1   -5   15   54 o  259.363   6.2315  186.318   8.6701  166.669   12.537  204.328   12.003  245.827   9.4380  272.899   8.1395 -27.07196 12.46303 
1 1 1   -5   15   55 o  230.439   6.4499  146.227   7.9841  149.997   12.021  143.252   10.680  232.851   9.5539  228.027   8.6675 4.824173 12.89974 
1 1 1   -5   15   56 o   88.560   13.240   24.914   6.1640   17.764   9.5461   30.027   8.0724   74.803   22.090  102.316   14.601 -27.51307 26.47949 
1 1 1   -5   15   57 o  187.337   7.2783   97.644   7.3150   99.159   11.055   96.463   9.7562  188.302   10.865  186.373   9.6874 1.929398 14.55651 
1 1 1   -5   15   58 o  112.728   10.910   36.213   6.5313   41.878   10.474   32.610   8.3546  119.316   16.245  106.139   14.567 13.17638 21.81973 
1 1 1   -5   15   59 o  106.225   12.301   35.189   6.6123   28.123   10.084   40.518   8.7583   93.895   20.453  118.555   13.671 -24.66092 24.60142 
1 1 1   -5   15   60 o   92.029   13.622   26.889   6.5320   32.248   9.9088   22.771   8.6867  100.471   18.946   83.587   19.576 16.88458 27.24306 
1 1 1   -5   15   61 o  215.367   7.1485  130.819   8.2867  127.760   12.176  133.459   11.310  212.586   10.599  218.149   9.5946 -5.563278 14.29692 
1 1 1   -5   15   62 o   64.780   17.057   11.547   7.5043   22.995   13.883   6.8219   8.9195   77.628   27.009   51.933   20.842 25.69500 34.11499 
1 1 1   -5   15   63 o  209.510   9.3336  132.535   9.6972  129.482   17.280  133.939   11.716  203.287   15.731  215.732   10.050 -12.44478 18.66718 
1 1 1   -5   15   64 o   50.394   14.599   4.4859   7.3375   13.970   9.6508  -8.5068   11.296   61.711   22.408   39.077   18.719 22.63434 29.19816 
1 1 1   -5   16    2 o  1139.68   13.811  3521.80   85.050  3547.71  121.254  3496.71  119.327  1143.79   19.618  1135.57   19.446 8.216064 27.62299 
1 1 1   -5   16    3 o  487.248   6.9029  641.966   18.172  645.193   25.956  638.864   25.449  488.446   9.8342  486.051   9.6896 2.394928 13.80577 
1 1 1   -5   16    4 o  1406.71   16.914  5375.04  128.569  5352.07  181.131  5398.38  182.526  1403.69   23.880  1409.73   23.961 -6.034180 33.82854 
1 1 1   -5   16    5 o  717.362   9.1009  1392.24   35.274  1374.75   49.427  1410.39   50.357  712.775   12.833  721.948   12.908 -9.173401 18.20170 
1 1 1   -5   16    6 o  680.508   8.7155  1252.82   32.048  1242.45   45.090  1263.42   45.558  677.662   12.313  683.356   12.338 -5.693909 17.43099 
1 1 1   -5   16    8 o  585.676   7.7527  927.237   24.525  943.164   35.325  912.418   34.075  590.523   11.070  580.830   10.857 9.693115 15.50538 
1 1 1   -5   16    9 o  169.133   6.4623   77.366   5.9024   76.563   8.4726   78.124   8.2274  168.277   9.3177  169.989   8.9568 -1.712006 12.92453 
1 1 1   -5   16   10 o  302.879   5.5838  248.155   9.1310  237.337   12.950  258.850   12.877  296.306   8.0880  309.451   7.7007 -13.14517 11.16760 
1 1 1   -5   16   11 o  806.622   10.056  1760.35   43.823  1777.56   62.690  1743.91   61.285  810.468   14.314  802.777   14.128 7.691833 20.11204 
1 1 1   -5   16   13 o  1190.49   14.395  3841.47   92.600  3813.89  130.155  3869.74  131.773  1186.17   20.306  1194.81   20.410 -8.634033 28.79056 
1 1 1   -5   16   14 o  976.203   11.950  2580.67   63.031  2593.60   89.760  2568.09   88.531  978.606   16.974  973.800   16.824 4.805237 23.89936 
1 1 1   -5   16   15 o  433.300   8.9779  507.615   21.021   0.0000   0.0000  507.615   21.021  ?   ?   433.300   8.9779      ?      ? 
1 1 1   -5   16   16 o  954.279   16.559  2466.30   85.387   0.0000   0.0000  2466.30   85.387  ?   ?   954.279   16.559      ?      ? 
1 1 1   -5   16   17 o  742.213   9.3774  1490.68   37.610  1485.98   53.158  1495.38   53.217  741.041   13.275  743.384   13.248 -2.342529 18.75482 
1 1 1   -5   16   18 o  1555.11   18.631  6573.62  156.556  6531.52  219.999  6616.80  222.834  1550.09   26.265  1560.12   26.432 -10.02588 37.26275 
1 1 1   -5   16   19 o  458.624   6.6611  568.775   16.507  565.295   23.431  572.204   23.259  457.229   9.4834  460.019   9.3566 -2.790527 13.32224 
1 1 1   -5   16   20 o  524.629   7.1838  743.572   20.354  720.815   28.212  768.279   29.395  516.268   10.113  532.990   10.206 -16.72198 14.36768 
1 1 1   -5   16   21 o   98.368   10.715   26.204   5.6936   25.355   8.0189   27.067   8.0853   96.759   15.337   99.977   14.966 -3.217918 21.42905 
1 1 1   -5   16   22 o  834.407   10.397  1883.89   46.850  1839.67   64.871  1932.10   67.732  824.200   14.566  844.614   14.841 -20.41382 20.79420 
1 1 1   -5   16   23 o  313.814   5.9437  265.966   10.068  273.183   14.649  259.505   13.861  317.840   8.5294  309.788   8.2801 8.051514 11.88742 
1 1 1   -5   16   24 o  473.127   6.8454  605.028   17.494  585.255   24.365  626.069   25.134  465.154   9.6935  481.101   9.6682 -15.94727 13.69076 
1 1 1   -5   16   25 o  864.486   10.778  2023.70   50.331  1987.71   70.030  2062.15   72.387  856.558   15.130  872.414   15.355 -15.85541 21.55675 
1 1 1   -5   16   26 f  372.876   9.2244  376.062   18.586  376.062   18.586   0.0000   0.0000  372.876   9.2244  ?   ?       ?      ? 
1 1 1   -5   16   27 o   38.702   12.722 -11.1058   6.6095  -2.7975   9.7371 -18.2050   9.0008   45.911   20.216   31.494   15.452 14.41730 25.44472 
1 1 1   -5   16   28 o  171.718   8.1027   79.994   7.4868   77.627   11.014   82.028   10.208  169.335   12.037  174.101   10.851 -4.766083 16.20540 
1 1 1   -5   16   30 o   90.294   13.895   22.764   6.6141   29.275   9.7891   17.295   8.9718  102.251   18.393   78.337   20.833 23.91352 27.79081 
1 1 1   -5   16   31 o  447.311   9.4532  541.477   22.850   0.0000   0.0000  541.477   22.850  ?   ?   447.311   9.4532      ?      ? 
1 1 1   -5   16   32 o  201.977   7.1103  110.638   7.7404  107.457   11.262  113.485   10.656  199.204   10.463  204.750   9.6311 -5.546173 14.22069 
1 1 1   -5   16   33 o  242.718   6.7020  160.252   8.7501  148.226   12.660  171.251   12.108  233.928   10.015  251.508   8.9087 -17.57979 13.40407 
1 1 1   -5   16   34 o  162.948   8.2876   72.039   7.2821   71.455   10.624   72.557   10.001  162.304   12.114  163.592   11.313 -1.287872 16.57520 
1 1 1   -5   16   35 o  302.037   7.9582  256.125   12.006  223.468   20.777  272.497   14.711  286.837   13.405  317.236   8.5817 -30.39890 15.91632 
1 1 1   -5   16   36 o  520.577   10.248  737.577   28.819  713.964   40.725  761.261   40.786  512.173   14.715  528.981   14.269 -16.80811 20.49692 
1 1 1   -5   16   37 o  426.334   9.2321  493.975   21.230  454.054   29.563  536.487   30.507  408.488   13.393  444.179   12.710 -35.69101 18.46414 
1 1 1   -5   16   38 o  120.774   11.190   39.690   7.2871   36.549   9.9723   43.288   10.674  115.656   15.956  125.892   15.691 -10.23561 22.37921 
1 1 1   -5   16   39 o  125.329   12.990   39.788   8.1573   34.835   9.6256   52.410   15.367  112.845   15.785  137.813   20.635 -24.96832 25.98023 
1 1 1   -5   16   40 o  331.079   12.865  299.099   23.016   0.0000   0.0000  299.099   23.016  ?   ?   331.079   12.865      ?      ? 
1 1 1   -5   16   41 o  260.269   7.6684  185.837   9.8676  180.788   17.923  188.033   11.820  257.311   12.890  263.227   8.3102 -5.916046 15.33683 
1 1 1   -5   16   42 o   92.443   12.769   25.181   6.0765   18.715   9.3958   29.829   7.9669   80.531   21.274  104.354   14.128 -23.82289 25.53778 
1 1 1   -5   16   43 o  178.753   7.4019   87.337   7.1052   84.861   10.570   89.378   9.5966  176.337   11.093  181.168   9.8027 -4.830917 14.80378 
1 1 1   -5   16   44 o  546.583   7.5619  815.872   22.330  811.313   31.830  820.291   31.336  545.018   10.808  548.149   10.579 -3.131165 15.12384 
1 1 1   -5   16   45 o  204.861   9.0720  115.279   9.4019  115.315   11.449  115.203   16.476  205.501   10.310  204.222   14.930 1.278122 18.14394 
1 1 1   -5   16   46 o  244.163   9.4961  163.504   12.477  155.721   16.753  173.198   18.696  237.811   13.037  250.515   13.811 -12.70337 18.99223 
1 1 1   -5   16   47 o  207.909   9.8604  119.798   11.075  122.950   15.689  116.667   15.637  210.697   13.780  205.121   14.108 5.575607 19.72076 
1 1 1   -5   16   48 o  111.950   13.267   37.695   6.9085   32.387   12.755   39.899   8.2184  103.743   23.320  120.156   12.658 -16.41304 26.53369 
1 1 1   -5   16   49 o  172.633   7.3601   83.079   6.7499   73.603   10.144   90.609   9.0423  163.352   11.492  181.914   9.1987 -18.56195 14.72022 
1 1 1   -5   16   50 f  147.059   8.0738   59.584   6.3750   61.884   9.6450   57.800   8.4952  149.407   11.947  144.711   10.864 4.695602 16.14763 
1 1 1   -5   16   51 o  313.677   6.1217  270.354   10.347  259.846   15.023  279.836   14.271  307.663   9.0365  319.692   8.2610 -12.02951 12.24347 
1 1 1   -5   16   52 o  258.853   6.1942  184.048   8.6056  184.660   12.949  183.564   11.517  258.988   9.2525  258.717   8.2380 0.2706604 12.38850 
1 1 1   -5   16   53 o  186.133   7.0315   95.180   7.0068  100.007   10.766   91.632   9.2290  189.966   10.488  182.299   9.3688 7.666458 14.06298 
1 1 1   -5   16   54 o  214.655   6.8914  128.747   7.8850  119.172   11.897  136.249   10.530  206.974   10.637  222.336   8.7648 -15.36252 13.78288 
1 1 1   -5   16   55 o  121.511   9.8141   42.242   6.3060   41.369   9.9150   42.835   8.1718  119.755   15.322  123.268   12.268 -3.513756 19.62825 
1 1 1   -5   16   56 o  323.885   6.3394  290.194   11.055  290.187   16.337  290.199   15.014  323.556   9.3442  324.214   8.5696 -0.6585999 12.67887 
1 1 1   -5   16   57 o   62.946   14.390   12.086   6.1818   3.8790   9.5111   18.089   8.1344   50.207   20.981   75.685   19.699 -25.47703 28.77939 
1 1 1   -5   16   58 o  146.088   9.1474   62.535   7.0107   52.280   10.640   70.405   9.3201  134.059   14.687  158.117   10.908 -24.05746 18.29489 
1 1 1   -5   16   59 o   60.703   14.542   11.564   6.3302   3.1294   9.8123   17.576   8.2847   48.534   20.836   72.871   20.290 -24.33723 29.08308 
1 1 1   -5   16   60 o  152.135   9.0851   66.977   7.4240   65.136   11.008   68.512   10.055  149.612   13.616  154.657   12.032 -5.044983 18.17023 
1 1 1   -5   16   61 o   46.771   14.291   0.3806   6.7359   8.0177   10.446  -5.0555   8.8130   55.609   22.470   37.934   17.663 17.67519 28.58137 
1 1 1   -5   16   62 o   43.871   13.891   1.2838   6.7391   1.5067   10.192   1.1107   8.9831   45.000   20.192   42.742   19.083 2.258732 27.78289 
1 1 1   -5   16   63 o  136.535   12.455   56.788   8.3220   67.973   15.852   52.532   9.7779  141.018   20.803  132.051   13.703 8.967484 24.91030 
1 1 1   -5   17    1 o  897.324   15.699  2179.65   76.121   0.0000   0.0000  2179.65   76.121  ?   ?   897.324   15.699      ?      ? 
1 1 1   -5   17    3 o  805.827   10.103  1757.19   43.992  1746.35   62.057  1768.14   62.372  803.328   14.296  808.326   14.280 -4.997803 20.20588 
1 1 1   -5   17    4 o  792.165   9.9324  1697.76   42.512  1679.03   59.578  1717.20   60.678  787.718   13.997  796.612   14.096 -8.894653 19.86475 
1 1 1   -5   17    5 o  862.906   10.699  2015.28   49.887  2024.20   70.978  2006.57   70.132  864.788   15.189  861.025   15.073 3.763000 21.39894 
1 1 1   -5   17    6 f  269.855   5.7576  196.089   8.3787  209.547   12.334  184.556   11.418  278.418   8.1982  261.291   8.0865 17.12729 11.51528 
1 1 1   -5   17    7 o  392.294   8.7166  416.048   18.478   0.0000   0.0000  416.048   18.478  ?   ?   392.294   8.7166      ?      ? 
1 1 1   -5   17    8 o  519.199   10.229  728.942   28.698  728.942   28.698   0.0000   0.0000  519.199   10.229  ?   ?       ?      ? 
1 1 1   -5   17    9 o  550.474   7.4563  819.321   22.174  825.588   31.773  813.372   30.960  552.521   10.642  548.427   10.447 4.093445 14.91267 
1 1 1   -5   17   10 o  721.051   9.1697  1406.13   35.714  1426.82   51.377  1386.78   49.679  726.172   13.093  715.931   12.842 10.24103 18.33941 
1 1 1   -5   17   12 o  475.585   9.5242  611.586   24.476   0.0000   0.0000  611.586   24.476  ?   ?   475.585   9.5242      ?      ? 
1 1 1   -5   17   13 o  297.686   5.7818  239.411   9.2739  241.605   13.671  237.541   12.623  298.943   8.4629  296.430   7.8802 2.512482 11.56363 
1 1 1   -5   17   14 f  514.509   7.1616  715.941   19.909  705.702   28.197  726.120   28.114  510.836   10.215  518.182   10.040 -7.345428 14.32328 
1 1 1   -5   17   15 o  927.104   11.440  2326.85   57.301  2289.29   80.015  2366.39   82.097  919.437   16.105  934.771   16.253 -15.33459 22.88083 
1 1 1   -5   17   16 o  429.885   6.5153  499.423   15.131  486.681   21.121  512.858   21.687  424.254   9.2128  435.515   9.2151 -11.26041 13.03054 
1 1 1   -5   17   17 o  581.657   7.7803  915.146   24.454  908.201   34.558  922.111   34.607  579.445   11.037  583.869   10.969 -4.424561 15.56060 
1 1 1   -5   17   18 o  638.653   11.761  1103.55   40.590   0.0000   0.0000  1103.55   40.590  ?   ?   638.653   11.761      ?      ? 
1 1 1   -5   17   19 o  300.009   6.0036  242.551   9.6994  252.818   14.436  234.101   13.096  305.770   8.7371  294.247   8.2362 11.52292 12.00720 
1 1 1   -5   17   22 o  306.681   9.2274  254.374   15.292  254.374   15.292   0.0000   0.0000  306.681   9.2274  ?   ?       ?      ? 
1 1 1   -5   17   23 o  207.959   10.121  116.991   11.373   0.0000   0.0000  116.991   11.373  ?   ?   207.959   10.121      ?      ? 
1 1 1   -5   17   25 o  510.078   10.160  703.962   28.005   0.0000   0.0000  703.962   28.005  ?   ?   510.078   10.160      ?      ? 
1 1 1   -5   17   26 o  1111.74   13.576  3354.10   81.520  3287.14  113.202  3426.22  117.491  1100.27   19.040  1123.21   19.358 -22.94128 27.15233 
1 1 1   -5   17   28 o  463.568   9.6521  581.579   24.178   0.0000   0.0000  581.579   24.178  ?   ?   463.568   9.6521      ?      ? 
1 1 1   -5   17   29 o  771.340   13.796  1613.03   57.504   0.0000   0.0000  1613.03   57.504  ?   ?   771.340   13.796      ?      ? 
1 1 1   -5   17   30 o  456.871   6.9473  565.209   17.146  550.939   24.304  579.349   24.192  451.115   9.9703  462.627   9.6774 -11.51175 13.89457 
1 1 1   -5   17   31 o   91.152   14.350   23.711   6.8828   21.275   10.077   25.842   9.4233   86.559   21.611   95.745   18.885 -9.185699 28.69919 
1 1 1   -5   17   32 o  299.989   6.3648  243.374   10.292  247.763   15.154  239.616   14.022  302.477   9.2713  297.501   8.7226 4.975555 12.72952 
1 1 1   -5   17   33 o  339.771   7.9951  321.218   13.569  290.991   23.744  335.877   16.535  327.338   13.424  352.204   8.6882 -24.86542 15.99019 
1 1 1   -5   17   34 o  272.828   8.9729  197.927   12.912  221.081   21.105  184.077   16.323  285.198   13.695  260.457   11.598 24.74051 17.94574 
1 1 1   -5   17   35 o  468.813   9.7388  598.417   24.632  591.441   35.738  604.730   33.997  466.106   14.189  471.519   13.343 -5.412628 19.47759 
1 1 1   -5   17   36 o  234.172   7.6854  148.188   9.6201  144.234   12.631  153.649   14.845  230.546   10.139  237.798   11.553 -7.251358 15.37090 
1 1 1   -5   17   37 o  331.307   6.2858  296.781   11.210  307.370   16.715  288.125   15.113  336.620   9.1892  325.994   8.5793 10.62598 12.57165 
1 1 1   -5   17   38 o  206.099   9.3751  116.365   9.5378  117.113   11.397  114.617   17.422  207.613   10.159  204.585   15.759 3.028214 18.75016 
1 1 1   -5   17   39 o  276.937   8.0687  210.018   11.447  212.440   14.149  205.428   19.477  279.631   9.3639  274.243   13.143 5.387726 16.13748 
1 1 1   -5   17   40 o  368.759   7.7692  362.401   14.231  390.315   26.281  350.822   16.927  378.061   12.865  359.458   8.7144 18.60260 15.53834 
1 1 1   -5   17   41 o  314.121   6.3269  268.872   10.699  258.622   15.640  277.888   14.669  308.387   9.3856  319.855   8.4869 -11.46875 12.65378 
1 1 1   -5   17   42 o  251.375   6.3425  171.822   8.5759  172.923   12.771  170.917   11.574  252.027   9.3772  250.722   8.5427 1.305069 12.68503 
1 1 1   -5   17   43 o  179.617   7.3648   88.802   7.0758   81.624   10.513   94.748   9.5675  172.770   11.260  186.464   9.4954 -13.69427 14.72954 
1 1 1   -5   17   44 o  224.136   9.6578  138.555   11.677  144.212   16.285  132.568   16.753  229.004   13.160  219.268   14.139 9.735443 19.31560 
1 1 1   -5   17   45 o  217.993   9.8828  131.398   11.635  133.131   16.244  129.572   16.672  219.568   13.691  216.417   14.256 3.151047 19.76567 
1 1 1   -5   17   46 o  152.138   12.278   64.994   10.077   63.626   13.806   66.554   14.742  150.560   16.970  153.716   17.749 -3.155579 24.55572 
1 1 1   -5   17   47 o  151.755   9.6705   64.397   7.3032   62.590   13.074   65.217   8.8050  149.389   16.196  154.120   10.573 -4.730667 19.34105 
1 1 1   -5   17   48 o  131.123   9.0533   48.405   6.2991   42.799   9.4876   52.823   8.4235  123.846   14.177  138.400   11.263 -14.55419 18.10669 
1 1 1   -5   17   49 o  171.141   7.5504   79.767   6.9376   91.599   10.527   70.682   9.2243  182.212   10.691  160.069   10.664 22.14279 15.10073 
1 1 1   -5   17   50 o  208.484   6.7486  119.884   7.5491  116.785   11.282  122.398   10.159  205.795   10.145  211.173   8.9024 -5.378128 13.49722 
1 1 1   -5   17   51 o  197.490   6.7770  106.412   7.1625  115.384   11.077   99.966   9.3897  204.380   10.030  190.599   9.1168 13.78166 13.55394 
1 1 1   -5   17   52 o   73.514   14.322   16.039   5.8101   19.942   9.1754   13.426   7.5069   80.373   20.923   66.656   19.562 13.71647 28.64349 
1 1 1   -5   17   53 f  164.990   7.8716   76.193   6.8992   74.527   10.711   77.375   9.0194  162.936   12.166  167.044   9.9922 -4.107346 15.74316 
1 1 1   -5   17   54 o   87.075   13.482   24.169   6.2629   16.904   9.6571   29.443   8.2278   73.031   22.367  101.120   15.058 -28.08912 26.96314 
1 1 1   -5   17   55 o   90.941   13.329   25.704   6.3499   21.557   9.7665   28.740   8.3575   82.248   21.671   99.634   15.523 -17.38601 26.65713 
1 1 1   -5   17   56 o  152.279   8.5895   64.463   6.9953   75.452   10.876   56.710   9.1356  163.013   12.347  141.545   11.944 21.46799 17.17905 
1 1 1   -5   17   57 o   69.063   14.263   12.404   6.3909   27.220   10.172   2.7415   8.2146   92.060   20.923   46.065   19.390 45.99451 28.52588 
1 1 1   -5   17   58 o   73.417   12.649   13.073   6.5427   35.170   10.199  -2.3786   8.5288  106.952   17.647   39.882   18.127 67.06985 25.29850 
1 1 1   -5   17   59 o   73.253   22.829   18.225   10.011   18.225   10.011   0.0000   0.0000   73.253   22.829  ?   ?       ?      ? 
1 1 1   -5   17   60 o   57.347   15.421   9.0479   7.0216   2.6039   10.353   14.536   9.5549   48.776   21.171   65.918   22.427 -17.14201 30.84138 
1 1 1   -5   17   61 o  175.513   8.2118   91.126   7.7060   88.359   11.631   93.291   10.288  171.940   12.519  179.087   10.631 -7.147186 16.42367 
1 1 1   -5   17   62 o  106.976   12.633   36.603   7.0833   43.703   10.589   30.853   9.5294  117.836   16.630   96.116   19.021 21.71996 25.26561 
1 1 1   -5   18    2 o  516.785   7.2099  722.224   20.131  722.083   28.706  722.361   28.239  516.731   10.281  516.838   10.111 -0.1074219 14.41980 
1 1 1   -5   18    3 o  379.721   8.7991  389.834   18.055   0.0000   0.0000  389.834   18.055  ?   ?   379.721   8.7991      ?      ? 
1 1 1   -5   18    4 o  871.168   10.824  2054.55   50.953  2039.36   71.630  2070.11   72.494  867.913   15.273  874.423   15.342 -6.510071 21.64858 
1 1 1   -5   18    5 o  564.243   7.6302  861.050   23.264  857.627   32.851  864.494   32.950  563.117   10.796  565.368   10.785 -2.250488 15.26032 
1 1 1   -5   18    6 o  283.994   5.8954  218.146   9.0359  215.845   13.071  220.252   12.505  282.554   8.5609  285.434   8.1076 -2.879944 11.79075 
1 1 1   -5   18    7 o  380.326   6.1689  390.952   12.675  379.282   17.766  403.050   18.088  374.546   8.7782  386.106   8.6697 -11.56042 12.33778 
1 1 1   -5   18    8 o  592.014   7.8909  947.933   25.243  940.093   35.563  955.894   35.835  589.546   11.163  594.481   11.155 -4.934448 15.78171 
1 1 1   -5   18   10 o  550.294   7.5167  818.985   22.351  811.495   31.546  826.534   31.672  547.766   10.658  552.821   10.602 -5.055298 15.03336 
1 1 1   -5   18   11 o  879.025   10.912  2091.97   51.828  2075.44   72.889  2108.88   73.710  875.515   15.407  882.535   15.456 -7.019592 21.82348 
1 1 1   -5   18   12 o  407.525   6.4805  448.885   14.268  440.764   19.926  457.428   20.439  403.746   9.1333  411.305   9.1961 -7.559174 12.96092 
1 1 1   -5   18   13 o  1181.39   14.331  3782.84   91.432  3706.38  126.712  3865.89  132.062  1168.99   20.059  1193.79   20.472 -24.79480 28.66165 
1 1 1   -5   18   14 o  864.025   10.764  2018.64   50.197  1960.56   69.032  2083.82   73.124  850.883   15.014  877.168   15.427 -26.28479 21.52709 
1 1 1   -5   18   15 o  679.395   8.8276  1248.60   32.399  1224.50   45.187  1274.09   46.479  672.657   12.432  686.133   12.536 -13.47601 17.65511 
1 1 1   -5   18   16 o   76.298   14.766   16.311   6.2627   16.596   8.6767   16.001   9.0486   76.864   20.510   75.731   21.247 1.132599 29.53121 
1 1 1   -5   18   18 o  272.750   9.0861  201.199   13.392  201.199   13.392   0.0000   0.0000  272.750   9.0861  ?   ?       ?      ? 
1 1 1   -5   18   19 o  326.909   8.9737  289.020   15.852   0.0000   0.0000  289.020   15.852  ?   ?   326.909   8.9737      ?      ? 
1 1 1   -5   18   20 o  394.151   9.1481  420.164   19.484   0.0000   0.0000  420.164   19.484  ?   ?   394.151   9.1481      ?      ? 
1 1 1   -5   18   21 f  996.682   17.334  2694.35   93.357   0.0000   0.0000  2694.35   93.357  ?   ?   996.682   17.334      ?      ? 
1 1 1   -5   18   22 o  195.763   7.5840  103.622   7.9996  104.788   11.799  102.630   10.883  196.771   11.096  194.755   10.341 2.015701 15.16807 
1 1 1   -5   18   24 o  351.398   9.1436  334.020   17.362   0.0000   0.0000  334.020   17.362  ?   ?   351.398   9.1436      ?      ? 
1 1 1   -5   18   25 f  892.314   11.166  2159.74   53.834  2132.66   75.484  2187.77   76.797  886.631   15.755  897.998   15.826 -11.36694 22.33169 
1 1 1   -5   18   26 o  557.134   7.7343  840.419   23.284  831.764   32.802  849.208   33.056  554.242   10.953  560.027   10.923 -5.785034 15.46860 
1 1 1   -5   18   27 o  230.616   9.7271  143.941   12.122   0.0000   0.0000  143.941   12.122  ?   ?   230.616   9.7271      ?      ? 
1 1 1   -5   18   28 o  507.382   10.233  697.053   28.055   0.0000   0.0000  697.053   28.055  ?   ?   507.382   10.233      ?      ? 
1 1 1   -5   18   29 o  615.242   11.585  1026.11   38.515   0.0000   0.0000  1026.11   38.515  ?   ?   615.242   11.585      ?      ? 
1 1 1   -5   18   30 o  353.369   8.9714  338.100   17.131   0.0000   0.0000  338.100   17.131  ?   ?   353.369   8.9714      ?      ? 
1 1 1   -5   18   31 o  311.854   8.4752  281.721   13.309  200.338   21.050  335.917   17.178  271.512   14.347  352.197   9.0259 -80.68552 16.95047 
1 1 1   -5   18   32 o  535.005   10.663  771.848   30.684  702.252   41.102  859.459   46.116  508.036   14.972  561.974   15.186 -53.93881 21.32572 
1 1 1   -5   18   33 o  449.606   9.7481  550.744   23.649  526.351   33.815  574.099   33.087  439.745   14.230  459.466   13.327 -19.72122 19.49613 
1 1 1   -5   18   34 o  211.753   8.1893  122.305   9.2275  124.734   12.110  118.941   14.248  214.379   10.454  209.127   12.608 5.251801 16.37857 
1 1 1   -5   18   35 o  551.197   7.6522  825.281   22.790  813.048   32.208  837.548   32.252  547.086   10.895  555.307   10.748 -8.221619 15.30434 
1 1 1   -5   18   36 o  166.065   8.0455   75.371   7.1646   71.645   10.658   78.443   9.6776  162.225   12.158  169.906   10.541 -7.681168 16.09098 
1 1 1   -5   18   37 o  294.587   8.0249  227.768   11.965  213.267   14.367  260.586   21.613  280.186   9.4892  308.989   12.944 -28.80356 16.04980 
1 1 1   -5   18   38 o  391.037   8.2261  417.990   16.385  420.595   20.105  412.838   28.273  393.427   9.4572  388.648   13.462 4.778961 16.45219 
1 1 1   -5   18   39 o  207.139   8.4166  118.341   8.6596  113.716   15.545  120.422   10.427  203.766   14.118  210.511   9.1665 -6.744827 16.83311 
1 1 1   -5   18   40 o  289.678   7.5786  228.201   10.965  230.405   19.743  227.218   13.186  290.184   12.591  289.172   8.4387 1.012054 15.15724 
1 1 1   -5   18   41 o  220.289   6.7675  132.320   8.0230  130.991   11.861  133.440   10.893  219.182   10.014  221.396   9.1054 -2.214081 13.53510 
1 1 1   -5   18   42 o  529.855   10.826  774.239   30.938  749.099   42.225  803.378   45.459  520.826   15.003  538.884   15.611 -18.05768 21.65215 
1 1 1   -5   18   43 o  156.165   12.114   67.784   10.208   64.257   14.008   71.779   14.907  151.861   17.070  160.470   17.192 -8.608444 24.22716 
1 1 1   -5   18   44 o  148.670   12.563   62.206   10.070   65.563   14.084   58.694   14.405  153.012   17.034  144.328   18.470 8.683243 25.12587 
1 1 1   -5   18   45 o  109.718   12.455   31.350   6.9679   42.072   12.664   26.694   8.3446  121.709   19.256   97.728   15.802 23.98123 24.90920 
1 1 1   -5   18   46 o  110.521   11.057   35.542   6.2009   29.958   9.6149   39.519   8.1137  101.496   18.200  119.545   12.560 -18.04851 22.11303 
1 1 1   -5   18   47 o  235.749   6.5568  152.927   8.2751  147.893   12.465  156.894   11.065  232.012   9.9427  239.486   8.5503 -7.474121 13.11356 
1 1 1   -5   18   48 o  214.618   6.8551  128.261   7.8281  114.655   11.740  139.155   10.504  203.851   10.657  225.385   8.6249 -21.53471 13.71022 
1 1 1   -5   18   49 f  130.180   9.4132   48.167   6.4943   42.890   9.8391   52.241   8.6450  123.232   14.776  137.128   11.667 -13.89629 18.82644 
1 1 1   -5   18   50 o  259.644   6.3227  185.674   8.8516  180.285   12.832  190.567   12.226  255.868   9.2807  263.420   8.5893 -7.551941 12.64541 
1 1 1   -5   18   51 o  171.329   7.4480   82.284   6.8043   74.771   10.180   88.352   9.1483  163.753   11.504  178.905   9.4630 -15.15173 14.89600 
1 1 1   -5   18   52 o  125.849   9.2406   43.487   6.1935   54.609   9.7072   35.852   8.0434  139.103   12.914  112.594   13.220 26.50919 18.48113 
1 1 1   -5   18   53 o  133.337   9.2434   50.292   6.5868   51.488   10.129   49.415   8.6703  134.259   13.962  132.416   12.117 1.842972 18.48689 
1 1 1   -5   18   54 o  231.222   6.7568  147.639   8.3625  153.618   12.835  143.229   11.023  234.904   10.111  227.540   8.9654 7.363541 13.51367 
1 1 1   -5   18   55 o  158.232   8.5694   67.303   7.1328   91.740   11.720   52.928   8.9891  179.892   12.057  136.573   12.180 43.31909 17.13878 
1 1 1   -5   18   56 o  190.555   7.6443  101.917   7.7912  104.321   11.946  100.137   10.278  191.990   11.515  189.120   10.057 2.869461 15.28860 
1 1 1   -5   18   57 o  164.359   8.4676   78.346   7.4089   72.508   11.194   82.896   9.8833  157.868   13.122  170.849   10.705 -12.98018 16.93510 
1 1 1   -5   18   58 o  165.556   8.6111   77.133   7.6284   90.429   11.820   67.643   9.9864  177.433   12.328  153.680   12.025 23.75250 17.22219 
1 1 1   -5   18   59 o  101.233   13.438   32.600   7.1765   54.572   10.765   15.023   9.6280  135.712   14.679   66.753   22.514 68.95853 26.87639 
1 1 1   -5   18   60 o   52.640   15.020   8.6036   6.6050   7.0301   10.241   9.7242   8.6427   51.192   21.604   54.089   20.873 -2.897522 30.04036 
1 1 1   -5   18   61 o   43.575   13.451  -1.0466   6.7353 -13.0718   10.281   7.9952   8.9148   34.747   16.933   52.404   20.903 -17.65628 26.90131 
1 1 1   -5   18   62 o  107.841   16.489   40.903   9.5733   70.270   16.167   25.045   11.880  138.979   21.528   76.702   24.982 62.27676 32.97760 
1 1 1   -5   19    5 f  542.458   7.5174  794.273   22.001  823.529   32.223  768.724   30.112  551.787   10.807  533.129   10.453 18.65729 15.03488 
1 1 1   -5   19    6 o  778.708   9.8615  1641.37   41.495  1646.67   58.977  1636.18   58.391  779.948   13.994  777.469   13.899 2.478760 19.72309 
1 1 1   -5   19    8 o  687.723   12.672  1279.94   47.093   0.0000   0.0000  1279.94   47.093  ?   ?   687.723   12.672      ?      ? 
1 1 1   -5   19    9 o  632.470   8.4067  1081.75   28.720  1061.03   39.941  1103.93   41.327  626.209   11.803  638.730   11.974 -12.52094 16.81339 
1 1 1   -5   19   10 o  487.413   10.090  642.588   26.574   0.0000   0.0000  642.588   26.574  ?   ?   487.413   10.090      ?      ? 
1 1 1   -5   19   11 o  662.440   8.6876  1187.67   31.098  1182.52   43.978  1192.82   43.980  661.002   12.313  663.877   12.260 -2.875854 17.37530 
1 1 1   -5   19   12 o  800.172   10.159  1732.55   43.900  1689.33   60.823  1779.55   63.428  789.780   14.252  810.563   14.481 -20.78302 20.31811 
1 1 1   -5   19   13 o  555.702   7.6920  834.173   23.075  805.508   31.785  866.115   33.553  545.632   10.780  565.772   10.975 -20.14008 15.38395 
1 1 1   -5   19   14 o  373.864   6.6299  376.378   13.364  349.591   18.214  407.622   19.670  359.517   9.3753  388.211   9.3768 -28.69443 13.25979 
1 1 1   -5   19   15 o  260.911   6.7488  183.985   9.5110  189.045   13.696  179.272   13.218  264.372   9.5869  257.450   9.5014 6.921997 13.49765 
1 1 1   -5   19   16 o  286.268   6.7674  221.699   10.464  214.029   14.776  229.415   14.821  281.296   9.7211  291.241   9.4177 -9.945251 13.53485 
1 1 1   -5   19   17 f  912.090   11.368  2248.22   55.911  2158.78   76.110  2353.07   82.404  892.495   15.782  931.685   16.368 -39.19019 22.73689 
1 1 1   -5   19   18 o  594.580   11.436  956.825   36.741   0.0000   0.0000  956.825   36.741  ?   ?   594.580   11.436      ?      ? 
1 1 1   -5   19   19 f  699.733   9.1295  1324.50   34.498  1287.30   47.755  1365.11   49.890  689.479   12.818  709.986   13.004 -20.50677 18.25895 
1 1 1   -5   19   20 o  565.668   7.9059  865.007   24.151  834.749   33.477  897.848   34.877  555.367   11.155  575.970   11.206 -20.60352 15.81173 
1 1 1   -5   19   21 o  616.699   8.3628  1027.06   27.827  984.299   38.110  1075.89   40.728  602.996   11.696  630.401   11.956 -27.40479 16.72559 
1 1 1   -5   19   22 o  817.312   10.365  1807.65   45.719  1745.57   62.792  1877.68   66.698  802.441   14.481  832.184   14.832 -29.74353 20.72911 
1 1 1   -5   19   23 o  524.370   10.570  744.388   29.951   0.0000   0.0000  744.388   29.951  ?   ?   524.370   10.570      ?      ? 
1 1 1   -5   19   25 o  734.433   9.5310  1459.89   37.780  1413.61   51.915  1512.00   55.084  722.112   13.305  746.753   13.651 -24.64117 19.06191 
1 1 1   -5   19   27 o   90.008   14.290   22.308   7.3980   37.405   10.745   8.7011   10.201  117.230   16.962   62.786   23.001 54.44413 28.57930 
1 1 1   -5   19   28 o  115.377   16.083   36.217   10.027   0.0000   0.0000   36.217   10.027  ?   ?   115.377   16.083      ?      ? 
1 1 1   -5   19   29 o  763.429   13.898  1584.26   57.154  1495.72   77.196  1691.67   85.026  740.089   19.303  786.768   19.999 -46.67987 27.79542 
1 1 1   -5   19   30 o   77.066   19.581   13.807   10.174   15.441   16.394   12.784   12.975   81.006   29.237   73.126   26.053 7.879509 39.16121 
1 1 1   -5   19   31 o  334.302   9.2682  305.233   16.645  288.513   24.486  319.595   22.694  325.619   13.916  342.984   12.245 -17.36517 18.53635 
1 1 1   -5   19   32 f  468.613   7.0680  595.841   17.896  588.099   25.387  603.488   25.230  465.568   10.091  471.657   9.8993 -6.089478 14.13596 
1 1 1   -5   19   33 o  189.095   7.8560   98.453   7.9187   84.529   11.593  110.631   10.842  176.288   12.170  201.902   9.9375 -25.61469 15.71195 
1 1 1   -5   19   34 o  498.023   7.2573  671.362   19.497  630.288   26.667  718.532   28.577  481.719   10.244  514.327   10.282 -32.60757 14.51466 
1 1 1   -5   19   35 o  283.605   6.4263  219.055   9.8127  208.126   14.269  228.862   13.516  276.802   9.5395  290.408   8.6132 -13.60565 12.85262 
1 1 1   -5   19   36 o  445.369   6.9258  539.237   16.664  524.903   23.506  553.720   23.628  439.389   9.9001  451.349   9.6879 -11.95972 13.85161 
1 1 1   -5   19   37 o  121.284   14.223   37.232   8.6546   29.103   10.381   55.766   15.674  100.857   19.754  141.711   20.469 -40.85378 28.44609 
1 1 1   -5   19   38 o  203.107   8.4084  114.035   8.6448  108.604   14.950  116.763   10.596  199.034   13.901  207.181   9.4643 -8.147751 16.81683 
1 1 1   -5   19   39 o  281.584   7.7237  220.044   10.995  206.036   18.972  227.128   13.492  274.177   12.805  288.991   8.6398 -14.81427 15.44734 
1 1 1   -5   19   40 o  296.707   9.1545  241.646   14.617  241.441   19.797  241.892   21.674  296.781   12.344  296.633   13.522 0.1485596 18.30892 
1 1 1   -5   19   41 o  253.104   9.2711  175.396   12.652  164.910   17.211  187.725   18.662  244.944   13.003  261.265   13.219 -16.32103 18.54221 
1 1 1   -5   19   42 o  283.057   9.1869  220.666   14.028  220.158   19.276  221.239   20.453  282.867   12.611  283.247   13.363 -0.3799133 18.37377 
1 1 1   -5   19   43 o  202.801   8.5163  110.011   8.6799  122.185   15.781  104.731   10.393  209.973   13.909  195.630   9.8317 14.34300 17.03267 
1 1 1   -5   19   44 o  344.937   8.6166  324.869   16.061   0.0000   0.0000  324.869   16.061  ?   ?   344.937   8.6166      ?      ? 
1 1 1   -5   19   45 o   68.805   13.509   14.080   6.1831   0.6926   9.7487   23.090   7.9976   48.549   20.803   89.061   17.241 -40.51171 27.01900 
1 1 1   -5   19   46 o  169.292   10.020   78.831   9.1662   0.0000   0.0000   78.831   9.1662  ?   ?   169.292   10.020      ?      ? 
1 1 1   -5   19   47 f  319.123   8.5325  278.983   14.714   0.0000   0.0000  278.983   14.714  ?   ?   319.123   8.5325      ?      ? 
1 1 1   -5   19   48 o  216.081   6.8174  127.273   7.8755  138.152   12.235  119.576   10.291  223.660   10.123  208.502   9.1340 15.15811 13.63481 
1 1 1   -5   19   49 o  205.499   6.9326  117.256   7.6146  111.331   11.473  121.921   10.180  200.467   10.591  210.531   8.9483 -10.06367 13.86530 
1 1 1   -5   19   50 o  131.352   9.4411   48.805   6.5830   48.019   10.254   49.357   8.5862  129.899   14.608  132.806   11.965 -2.907318 18.88229 
1 1 1   -5   19   51 o  108.628   11.675   35.079   6.4697   32.289   10.201   36.957   8.3683  103.139   19.003  114.118   13.570 -10.97917 23.35097 
1 1 1   -5   19   52 o  187.637   7.5117   97.725   7.5607  103.120   11.521   93.644   10.020  191.871   11.112  183.402   10.111 8.468872 15.02335 
1 1 1   -5   19   53 o  176.057   7.7431   85.466   7.2867   95.538   11.362   78.429   9.4971  184.481   11.397  167.633   10.484 16.84755 15.48617 
1 1 1   -5   19   54 o   47.555   14.011   3.0683   6.1422  -1.6097   9.6183   6.2898   7.9817   43.827   19.644   51.283   19.984 -7.455608 28.02242 
1 1 1   -5   19   55 o   73.600   14.912   16.323   6.4567   26.048   10.160   9.7349   8.3622   89.552   21.306   57.648   20.870 31.90457 29.82428 
1 1 1   -5   19   56 o  156.189   8.9841   72.503   7.3349   60.031   11.175   81.942   9.7220  142.459   14.517  169.918   10.588 -27.45891 17.96829 
1 1 1   -5   19   57 o   60.335   15.292   9.1868   6.7315   19.094   10.486   2.2424   8.7794   74.704   23.378   45.965   19.720 28.73961 30.58474 
1 1 1   -5   19   58 o   97.857   13.878   31.344   7.1017   27.674   10.792   34.148   9.4316   89.797   22.334  105.917   16.479 -16.11986 27.75535 
1 1 1   -5   19   59 o  213.170   7.4698  132.644   8.5100  126.038   12.789  137.892   11.400  207.121   11.427  219.219   9.6236 -12.09789 14.93962 
1 1 1   -5   19   60 f   48.014   15.385   1.8157   7.9546  -1.6615   15.696   3.0174   9.2273   50.168   23.430   45.860   19.947 4.307404 30.77066 
1 1 1   -5   20    1 o  911.436   13.798  2246.10   63.719  2279.28  111.915  2230.18   77.509  915.690   22.618  907.182   15.811 8.508362 27.59644 
1 1 1   -5   20    3 o  341.720   9.1824  315.819   16.956   0.0000   0.0000  315.819   16.956  ?   ?   341.720   9.1824      ?      ? 
1 1 1   -5   20    4 o  250.171   6.6570  169.074   8.9936  175.357   12.999  163.304   12.456  254.623   9.4474  245.719   9.3814 8.904083 13.31403 
1 1 1   -5   20    7 o  886.238   11.096  2128.12   53.135  2105.34   74.544  2151.64   75.759  881.425   15.651  891.051   15.734 -9.625671 22.19269 
1 1 1   -5   20    8 o  296.253   6.7561  237.347   10.814  240.844   15.418  233.960   15.173  298.401   9.5616  294.105   9.5475 4.295624 13.51214 
1 1 1   -5   20    9 o  1280.76   21.986  4457.48  152.159  4457.48  152.159   0.0000   0.0000  1280.76   21.986  ?   ?       ?      ? 
1 1 1   -5   20   11 o  646.871   12.281  1132.60   42.928   0.0000   0.0000  1132.60   42.928  ?   ?   646.871   12.281      ?      ? 
1 1 1   -5   20   13 o  766.934   9.8760  1592.60   40.920  1565.21   57.155  1621.41   58.611  760.179   13.914  773.690   14.019 -13.51074 19.75191 
1 1 1   -5   20   14 o  677.741   9.0183  1241.58   32.990  1200.28   45.345  1288.02   48.084  665.805   12.604  689.677   12.902 -23.87195 18.03662 
1 1 1   -5   20   15 o  713.370   9.3520  1375.35   36.002  1324.35   49.375  1433.25   52.606  699.299   13.067  727.440   13.383 -28.14099 18.70398 
1 1 1   -5   20   16 o  436.324   9.8959  515.061   23.332   0.0000   0.0000  515.061   23.332  ?   ?   436.324   9.8959      ?      ? 
1 1 1   -5   20   17 f  258.422   7.3997  180.614   10.316  166.817   14.402  195.153   14.784  248.281   10.735  268.563   10.188 -20.28189 14.79944 
1 1 1   -5   20   18 o  411.866   9.7145  458.963   21.620   0.0000   0.0000  458.963   21.620  ?   ?   411.866   9.7145      ?      ? 
1 1 1   -5   20   19 o  262.102   7.2614  185.892   10.278  187.146   14.827  184.733   14.259  262.945   10.435  261.259   10.100 1.686035 14.52279 
1 1 1   -5   20   20 f  296.223   9.5763  237.473   15.329   0.0000   0.0000  237.473   15.329  ?   ?   296.223   9.5763      ?      ? 
1 1 1   -5   20   21 o  422.419   9.6671  482.922   22.066   0.0000   0.0000  482.922   22.066  ?   ?   422.419   9.6671      ?      ? 
1 1 1   -5   20   22 o  458.836   10.079  569.910   24.989   0.0000   0.0000  569.910   24.989  ?   ?   458.836   10.079      ?      ? 
1 1 1   -5   20   23 o  575.695   8.0050  896.945   24.888  865.138   34.520  931.379   35.917  565.081   11.305  586.310   11.337 -21.22980 16.00999 
1 1 1   -5   20   24 o  420.010   9.6444  477.733   21.889   0.0000   0.0000  477.733   21.889  ?   ?   420.010   9.6444      ?      ? 
1 1 1   -5   20   25 o  464.570   7.1518  584.371   17.946  561.398   25.078  608.484   25.693  455.207   10.195  473.933   10.032 -18.72610 14.30353 
1 1 1   -5   20   26 o  139.581   15.539   61.071   9.8207   39.617   17.491   70.947   11.868  117.529   27.950  161.632   13.588 -44.10367 31.07788 
1 1 1   -5   20   27 o  202.905   12.169  116.013   12.867   93.153   19.709  132.995   16.987  184.610   19.757  221.200   14.212 -36.58965 24.33724 
1 1 1   -5   20   28 o  293.803   9.8088  238.253   15.313  209.572   22.953  261.261   20.557  277.422   15.311  310.183   12.265 -32.76117 19.61769 
1 1 1   -5   20   29 o  122.449   14.652   44.011   8.9913   51.659   11.713   33.041   14.029  137.625   15.750  107.274   24.711 30.35072 29.30382 
1 1 1   -5   20   30 o  304.861   6.6922  252.347   11.009  238.288   15.625  266.207   15.514  296.383   9.7563  313.339   9.1627 -16.95612 13.38432 
1 1 1   -5   20   31 o  459.419   7.0415  573.002   17.476  563.617   24.858  582.173   24.575  455.670   10.095  463.169   9.8190 -7.498413 14.08301 
1 1 1   -5   20   32 o  339.108   6.4642  311.544   11.814  318.314   17.426  305.785   16.072  342.469   9.4162  335.748   8.8589 6.721191 12.92846 
1 1 1   -5   20   33 o  372.901   6.5587  377.765   13.210  370.655   18.838  384.644   18.530  369.414   9.4372  376.388   9.1107 -6.973297 13.11735 
1 1 1   -5   20   34 o  491.521   7.2635  656.788   19.285  632.099   26.946  682.712   27.611  482.034   10.345  501.009   10.199 -18.97482 14.52704 
1 1 1   -5   20   35 o  337.540   6.5016  309.792   11.846  293.739   16.778  325.749   16.727  328.762   9.4441  346.318   8.9381 -17.55557 13.00316 
1 1 1   -5   20   36 o  174.639   9.8910   82.199   8.9761   78.695   11.144   88.671   15.145  169.736   12.150  179.541   15.611 -9.804688 19.78198 
1 1 1   -5   20   37 o   73.832   17.304   11.823   8.7860   1.6743   11.589   25.541   13.473   54.562   23.002   93.102   25.858 -38.53971 34.60802 
1 1 1   -5   20   38 o   65.834   18.047   7.6129   9.1010   3.6284   11.701   13.714   14.479   57.027   23.502   74.642   27.395 -17.61542 36.09421 
1 1 1   -5   20   39 o  185.753   10.681   94.690   10.680   87.725   14.360  103.311   15.976  178.216   14.912  193.290   15.296 -15.07443 21.36154 
1 1 1   -5   20   40 o  189.668   10.622   99.808   10.863  104.887   15.169   94.459   15.564  194.816   14.409  184.520   15.610 10.29543 21.24336 
1 1 1   -5   20   41 o  300.401   7.6800  241.765   11.611  263.288   20.973  232.253   13.943  309.065   12.558  291.736   8.8444 17.32974 15.36005 
1 1 1   -5   20   42 o  271.488   8.6865  201.223   12.743   0.0000   0.0000  201.223   12.743  ?   ?   271.488   8.6865      ?      ? 
1 1 1   -5   20   43 o  255.202   6.6469  179.089   9.1048  170.027   13.472  186.708   12.353  249.010   10.012  261.394   8.7455 -12.38460 13.29387 
1 1 1   -5   20   44 o  242.401   6.5866  161.671   8.5723  155.101   12.709  167.155   11.612  237.641   9.8967  247.161   8.6942 -9.520752 13.17321 
1 1 1   -5   20   45 o   73.395   14.006   16.633   6.1707   7.5147   9.3804   23.589   8.1931   57.213   21.829   89.576   17.554 -32.36286 28.01153 
1 1 1   -5   20   46 o  229.095   6.7863  144.587   8.3337  143.158   12.568  145.709   11.133  227.808   10.210  230.381   8.9430 -2.572906 13.57262 
1 1 1   -5   20   47 o  108.114   11.121   33.483   6.4156   32.078   9.7379   34.561   8.5280  105.601   17.065  110.628   14.266 -5.027344 22.24250 
1 1 1   -5   20   48 o   82.475   13.928   20.017   6.2094   28.512   9.5327   13.757   8.1836   97.487   18.777   67.462   20.577 30.02544 27.85645 
1 1 1   -5   20   49 o  193.617   7.3857  104.656   7.6470  100.162   11.525  108.191   10.221  189.456   11.257  197.779   9.5640 -8.323212 14.77144 
1 1 1   -5   20   50 o  191.469   7.4470  102.651   7.6240   98.184   11.491  106.165   10.190  187.256   11.356  195.682   9.6366 -8.425369 14.89394 
1 1 1   -5   20   51 o  199.979   7.3171  112.233   7.8196  105.782   11.753  117.358   10.474  194.259   11.196  205.699   9.4234 -11.44025 14.63421 
1 1 1   -5   20   52 o  155.568   8.4578   66.518   7.0133   80.178   11.071   57.363   9.0638  168.449   12.163  142.686   11.756 25.76193 16.91552 
1 1 1   -5   20   53 o   49.631   14.465   3.1187   6.3455   8.9023   9.8473  -0.9883   8.2981   57.746   22.282   41.517   18.451 16.22882 28.92970 
1 1 1   -5   20   54 o   44.131   13.673  -2.0879   6.4246   6.3027   9.9112  -8.1684   8.4372   53.466   21.784   34.797   16.531 18.66923 27.34667 
1 1 1   -5   20   55 o   77.078   14.668   20.515   6.5027   13.943   9.9512   25.412   8.5905   64.805   22.845   89.351   18.405 -24.54603 29.33676 
1 1 1   -5   20   56 o  167.069   9.9501   87.646   8.0223   47.815   11.780  122.094   10.955  125.538   17.365  208.599   9.7190 -83.06114 19.90011 
1 1 1   -5   20   57 o   66.217   15.428   15.266   6.9244   7.8174   10.584   20.840   9.1554   54.650   22.417   77.784   21.202 -23.13313 30.85509 
1 1 1   -5   20   58 o  222.553   7.4375  144.778   8.7923  131.944   13.299  154.742   11.718  212.109   11.603  232.998   9.3073 -20.88936 14.87504 
1 1 1   -5   20   59 o  126.906   17.089   64.210   10.387   46.914   18.069   72.748   12.694  100.851   30.534  152.961   15.358 -52.11030 34.17878 
1 1 1   -5   21    1 o  405.112   7.2968  451.213   14.516  426.577   26.499  461.776   17.351  396.966   12.353  413.258   7.7697 -16.29245 14.59353 
1 1 1   -5   21    2 o  879.086   15.679  2094.43   74.478   0.0000   0.0000  2094.43   74.478  ?   ?   879.086   15.679      ?      ? 
1 1 1   -5   21    5 o  542.659   7.8997  797.027   23.162  789.155   32.918  804.745   32.595  539.996   11.281  545.322   11.061 -5.325439 15.79939 
1 1 1   -5   21    6 o  296.887   9.7550  238.446   15.650  238.446   15.650   0.0000   0.0000  296.887   9.7550  ?   ?       ?      ? 
1 1 1   -5   21    7 o  367.219   6.9013  363.787   13.672  336.752   18.820  393.992   19.893  352.809   9.8718  381.629   9.6466 -28.81970 13.80255 
1 1 1   -5   21    8 o  320.031   7.0063  277.093   12.116  275.645   17.121  278.545   17.149  319.193   9.9261  320.869   9.8908 -1.676270 14.01266 
1 1 1   -5   21   10 o  433.810   7.2248  507.492   16.905  481.712   23.062  537.427   24.851  421.949   10.115  445.671   10.319 -23.72113 14.44968 
1 1 1   -5   21   11 o  479.691   10.488  622.637   27.186   0.0000   0.0000  622.637   27.186  ?   ?   479.691   10.488      ?      ? 
1 1 1   -5   21   14 o  499.019   7.5999  670.919   20.445  626.537   27.790  723.282   30.185  481.118   10.689  516.920   10.806 -35.80194 15.19987 
1 1 1   -5   21   20 o  484.256   10.326  635.144   27.020   0.0000   0.0000  635.144   27.020  ?   ?   484.256   10.326      ?      ? 
1 1 1   -5   21   21 o  677.705   12.599  1245.92   46.138   0.0000   0.0000  1245.92   46.138  ?   ?   677.705   12.599      ?      ? 
1 1 1   -5   21   22 o   82.913   14.994   17.826   7.6875   3.9272   10.499   33.893   11.288   56.019   22.565  109.808   19.749 -53.78928 29.98726 
1 1 1   -5   21   23 o  415.249   8.9920  476.798   18.800  443.018   32.649  493.557   22.996  403.680   14.967  426.817   9.9705 -23.13742 17.98409 
1 1 1   -5   21   24 f  308.832   10.288  258.385   17.015  265.991   26.020  252.703   22.490  312.673   15.401  304.991   13.646 7.682587 20.57657 
1 1 1   -5   21   25 o  122.764   16.362   50.083   11.615   2.3198   17.740   85.923   15.367   67.932   28.539  177.596   16.013 -109.6632 32.72412 
1 1 1   -5   21   26 o  189.323   13.610  103.474   13.167   73.806   20.091  125.811   17.432  163.741   22.706  214.905   15.011 -51.16383 27.21995 
1 1 1   -5   21   27 o  369.620   9.4618  370.463   18.898   0.0000   0.0000  370.463   18.898  ?   ?   369.620   9.4618      ?      ? 
1 1 1   -5   21   28 o  118.556   11.472   38.321   7.3270   39.543   10.861   37.300   9.9255  120.244   16.716  116.867   15.717 3.377663 22.94454 
1 1 1   -5   21   29 o  243.457   7.0839  160.108   9.2956  173.042   13.746  149.210   12.618  252.465   10.076  234.449   9.9598 18.01620 14.16785 
1 1 1   -5   21   30 o  124.760   11.492   41.631   7.5798   55.986   11.651   31.095   9.9809  143.089   15.068  106.431   17.354 36.65734 22.98322 
1 1 1   -5   21   31 o   64.123   14.744   6.9146   7.1274   21.184   10.377  -5.8305   9.8068   85.679   22.224   42.566   19.382 43.11256 29.48837 
1 1 1   -5   21   32 o  250.553   6.9411  171.039   9.3729  163.999   13.577  177.448   12.955  245.550   10.233  255.556   9.3815 -10.00572 13.88224 
1 1 1   -5   21   33 o  242.995   7.0268  159.767   9.1871  169.033   13.777  152.348   12.328  249.260   10.229  236.731   9.6374 12.52971 14.05364 
1 1 1   -5   21   34 o  427.608   13.850  501.126   32.003   0.0000   0.0000  501.126   32.003  ?   ?   427.608   13.850      ?      ? 
1 1 1   -5   21   35 o   95.850   17.684   25.805   9.3409   18.223   12.162   36.712   14.587   80.038   25.198  111.661   24.818 -31.62223 35.36811 
1 1 1   -5   21   36 o  200.536   10.122  111.089   10.929  116.464   15.090  105.158   15.851  205.847   13.566  195.225   15.025 10.62244 20.24369 
1 1 1   -5   21   37 o  242.538   9.4098  161.230   12.312  152.545   16.845  171.194   18.042  235.570   13.233  249.506   13.381 -13.93599 18.81960 
1 1 1   -5   21   38 o  167.584   11.725   77.363   10.533   65.023   14.211   92.410   15.692  152.707   17.221  182.461   15.915 -29.75465 23.44949 
1 1 1   -5   21   39 o   65.926   15.335   10.600   6.6388   18.818   10.187   4.5343   8.7525   79.771   22.602   52.080   20.732 27.69120 30.67031 
1 1 1   -5   21   40 o  254.039   8.9960  176.292   12.349   0.0000   0.0000  176.292   12.349  ?   ?   254.039   8.9960      ?      ? 
1 1 1   -5   21   41 o  227.514   6.9537  141.579   8.5149  144.454   12.672  139.213   11.497  229.490   10.219  225.538   9.4337 3.952454 13.90742 
1 1 1   -5   21   42 o  125.047   10.481   43.522   7.0231   45.400   10.729   42.114   9.2901  127.162   15.614  122.932   13.985 4.229713 20.96135 
1 1 1   -5   21   43 o  207.688   7.2500  118.747   8.0788  118.972   12.170  118.570   10.802  207.631   10.847  207.744   9.6229 -0.1132507 14.50003 
1 1 1   -5   21   44 o  175.444   7.8974   84.381   7.4091   90.431   11.478   80.059   9.7009  180.561   11.764  170.327   10.540 10.23392 15.79490 
1 1 1   -5   21   45 o  287.409   6.4128  227.434   9.9237  223.581   14.593  230.749   13.535  284.909   9.4789  289.908   8.6397 -4.998749 12.82557 
1 1 1   -5   21   46 o  139.588   9.0253   54.273   6.7642   57.197   10.258   52.024   8.9975  142.682   13.305  136.494   12.199 6.187668 18.05069 
1 1 1   -5   21   47 o  108.055   12.451   36.228   6.6895   24.993   10.122   44.941   8.9136   89.769   21.204  126.341   13.056 -36.57184 24.90179 
1 1 1   -5   21   48 o   43.680   13.584  -1.2012   6.3706  -6.4482   9.8071   2.6292   8.3792   40.352   18.736   47.009   19.673 -6.657127 27.16761 
1 1 1   -5   21   49 o  102.501   12.592   30.524   6.6508   43.571   10.266   21.088   8.7307  122.747   15.478   82.255   19.866 40.49126 25.18382 
1 1 1   -5   21   50 o   88.035   13.930   24.770   6.6524   16.789   10.005   31.094   8.9063   72.620   22.854  103.450   15.932 -30.82957 27.85946 
1 1 1   -5   21   51 o  111.797   11.381   35.783   6.7886   42.906   10.667   30.935   8.8011  120.783   16.343  102.811   15.842 17.97179 22.76115 
1 1 1   -5   21   52 o  101.348   13.531   35.318   6.9562   17.474   10.707   48.354   9.1508   72.751   23.717  129.946   13.032 -57.19507 27.06131 
1 1 1   -5   21   53 o  162.260   8.7037   76.511   7.4796   70.772   11.488   80.734   9.8546  155.798   13.645  168.723   10.809 -12.92548 17.40747 
1 1 1   -5   21   54 o  130.100   10.537   51.005   7.2182   43.686   10.902   56.716   9.6315  120.095   16.800  140.104   12.722 -20.00922 21.07343 
1 1 1   -5   21   55 o   79.703   15.446   20.723   6.8875   26.713   10.504   16.204   9.1225   89.547   21.891   69.858   21.796 19.68909 30.89169 
1 1 1   -5   21   56 o   60.982   15.483   13.197   6.7355   8.7587   10.496   16.304   8.7822   54.584   22.349   67.380   21.435 -12.79567 30.96654 
1 1 1   -5   21   57 o  112.578   17.334   46.362   9.8766   48.468   17.265   45.338   12.041  107.444   29.044  117.711   18.931 -10.26697 34.66861 
1 1 1   -5   21   58 o   55.630   16.912   9.3976   9.2470   3.7455   16.157   12.151   11.276   52.986   24.406   58.274   23.417 -5.288109 33.82323 
1 1 1   -5   22    1 o  533.433   9.1724  767.338   24.924  780.631   43.352  760.775   30.462  536.658   14.950  530.208   10.632 6.449402 18.34485 
1 1 1   -5   22    2 o  120.451   13.254   40.207   7.7295   39.550   13.867   40.503   9.3100  118.639   22.453  122.262   14.092 -3.623947 26.50871 
1 1 1   -5   22    4 o  635.311   12.224  1092.92   41.967   0.0000   0.0000  1092.92   41.967  ?   ?   635.311   12.224      ?      ? 
1 1 1   -5   22    5 o  131.270   12.480   46.724   8.1539   28.656   10.784   70.839   12.459  100.867   20.485  161.673   14.261 -60.80650 24.96010 
1 1 1   -5   22    6 o  299.892   10.304  243.396   16.698   0.0000   0.0000  243.396   16.698  ?   ?   299.892   10.304      ?      ? 
1 1 1   -5   22    8 o  438.990   7.2260  521.387   17.133  528.116   24.680  515.128   23.803  441.713   10.340  436.266   10.097 5.446716 14.45205 
1 1 1   -5   22   10 o  384.795   9.9880  400.774   20.768   0.0000   0.0000  400.774   20.768  ?   ?   384.795   9.9880      ?      ? 
1 1 1   -5   22   12 o  1213.61   14.872  4007.22   97.460  3913.68  134.721  4109.91  141.162  1198.87   20.796  1228.34   21.267 -29.46899 29.74489 
1 1 1   -5   22   14 o  163.928   9.9198   72.406   8.7581   80.180   12.994   65.933   11.856  171.941   13.985  155.915   14.072 16.02589 19.83959 
1 1 1   -5   22   15 o  291.048   7.1565  229.342   11.247  217.708   15.786  241.336   16.029  283.541   10.303  298.555   9.9353 -15.01361 14.31298 
1 1 1   -5   22   16 o  341.173   6.9584  315.004   12.814  295.048   17.888  336.040   18.366  330.065   10.029  352.280   9.6481 -22.21469 13.91670 
1 1 1   -5   22   17 o  283.026   7.2533  216.528   11.072  224.479   16.266  209.663   15.114  287.842   10.458  278.210   10.054 9.631866 14.50664 
1 1 1   -5   22   18 o  435.055   9.9813  512.731   23.465   0.0000   0.0000  512.731   23.465  ?   ?   435.055   9.9813      ?      ? 
1 1 1   -5   22   20 o  315.203   9.9822  286.221   15.291  230.631   27.073  312.260   18.529  290.939   17.221  339.468   10.101 -48.52924 19.96447 
1 1 1   -5   22   21 o  260.480   11.337  185.421   15.821  179.167   23.758  190.405   21.207  256.373   17.149  264.586   14.833 -8.213165 22.67425 
1 1 1   -5   22   22 o  208.429   12.625  114.655   13.791  134.752   23.108  103.536   17.188  221.962   19.266  194.897   16.321 27.06538 25.24998 
1 1 1   -5   22   23 o  338.393   10.335  310.444   18.766  323.198   28.496  300.676   24.937  344.373   15.313  332.412   13.883 11.96106 20.66938 
1 1 1   -5   22   24 o  267.580   10.168  194.259   14.703   0.0000   0.0000  194.259   14.703  ?   ?   267.580   10.168      ?      ? 
1 1 1   -5   22   25 o  720.036   13.253  1411.43   51.566   0.0000   0.0000  1411.43   51.566  ?   ?   720.036   13.253      ?      ? 
1 1 1   -5   22   26 o  131.932   11.128   47.473   7.9240   50.585   11.488   44.649   10.944  136.058   15.626  127.805   15.847 8.252594 22.25502 
1 1 1   -5   22   27 f  197.329   11.231  105.882   11.976  105.882   11.976   0.0000   0.0000  197.329   11.231  ?   ?       ?      ? 
1 1 1   -5   22   28 o   94.523   15.017   25.682   7.4784   26.237   10.814   25.174   10.353   95.473   21.480   93.573   20.992 1.899879 30.03467 
1 1 1   -5   22   29 o  249.369   7.1621  169.176   9.6362  167.859   13.990  170.365   13.292  248.397   10.423  250.340   9.8262 -1.942642 14.32420 
1 1 1   -5   22   30 o  307.225   13.222  257.883   21.951   0.0000   0.0000  257.883   21.951  ?   ?   307.225   13.222      ?      ? 
1 1 1   -5   22   31 o  140.573   13.412   54.545   10.153   52.815   13.710   56.644   15.106  138.221   18.356  142.924   19.560 -4.703384 26.82448 
1 1 1   -5   22   32 o  269.358   9.2341  198.707   13.430  208.153   19.024  189.324   18.961  275.820   12.764  262.896   13.347 12.92426 18.46814 
1 1 1   -5   22   33 o  233.610   9.6739  148.970   12.142  141.892   16.184  158.086   18.367  227.438   13.168  239.781   14.175 -12.34221 19.34782 
1 1 1   -5   22   34 f  387.010   9.5023  411.727   19.858  415.766   27.663  407.432   28.525  389.103   13.157  384.916   13.714 4.187744 19.00451 
1 1 1   -5   22   35 o   84.839   18.402   21.049   9.2387   22.149   12.460   19.707   13.769   86.716   25.133   82.963   26.887 3.752899 36.80398 
1 1 1   -5   22   36 o   73.826   16.682   15.491   7.2378   14.036   12.958   16.151   8.7261   73.200   26.040   74.453   20.857 -1.253181 33.36321 
1 1 1   -5   22   37 o  241.428   9.2651  159.161   12.087   0.0000   0.0000  159.161   12.087  ?   ?   241.428   9.2651      ?      ? 
1 1 1   -5   22   38 o  160.905   8.6447   71.150   7.4950   74.232   11.107   68.574   10.156  164.012   12.532  157.797   11.910 6.215103 17.28936 
1 1 1   -5   22   39 o  162.350   8.4926   73.039   7.4003   69.105   10.933   76.366   10.053  158.071   12.800  166.629   11.165 -8.557816 16.98525 
1 1 1   -5   22   40 o  280.117   6.6598  215.634   10.048  201.909   14.473  228.403   13.960  271.295   9.8727  288.939   8.9410 -17.64401 13.31960 
1 1 1   -5   22   41 o  117.707   11.068   39.327   6.9575   37.085   10.478   41.095   9.3046  114.253   16.972  121.160   14.212 -6.907112 22.13668 
1 1 1   -5   22   42 o  195.631   7.6549  106.361   7.9896  100.952   12.120  110.518   10.625  190.826   11.754  200.437   9.8097 -9.610733 15.30977 
1 1 1   -5   22   43 o  172.455   8.0239   82.951   7.4087   78.878   11.086   86.238   9.9590  168.259   12.193  176.651   10.433 -8.392166 16.04770 
1 1 1   -5   22   44 o  160.042   8.6671   72.125   7.3854   67.361   11.215   75.773   9.8134  154.827   13.405  165.257   10.989 -10.42964 17.33413 
1 1 1   -5   22   45 o   46.416   14.159   0.7841   6.3937   0.3684   9.9547   1.0759   8.3418   47.748   20.743   45.085   19.279 2.662758 28.31843 
1 1 1   -5   22   46 o  209.648   9.6060  121.612   10.882   0.0000   0.0000  121.612   10.882  ?   ?   209.648   9.6060      ?      ? 
1 1 1   -5   22   47 o  163.994   9.0765   79.475   7.6325   56.273   11.396   98.346   10.278  139.897   15.075  188.090   10.112 -48.19312 18.15299 
1 1 1   -5   22   48 o  176.922   8.0617   88.058   7.6006   86.566   11.691   89.150   10.003  175.040   12.361  178.804   10.353 -3.764023 16.12333 
1 1 1   -5   22   49 o  128.005   13.420   46.710   9.2823   0.0000   0.0000   46.710   9.2823  ?   ?   128.005   13.420      ?      ? 
1 1 1   -5   22   50 o   52.663   14.772   3.3866   6.6159   13.498   10.457  -3.3623   8.5431   65.762   23.393   39.563   18.044 26.19865 29.54342 
1 1 1   -5   22   51 o  191.204   7.9073  103.800   8.0928   99.461   12.141  107.269   10.856  186.936   12.020  195.472   10.278 -8.536102 15.81461 
1 1 1   -5   22   52 o   48.938   14.662   3.9126   6.6629   3.9565   10.188   3.8799   8.8074   50.052   21.352   47.824   20.100 2.228806 29.32477 
1 1 1   -5   22   53 o   36.142   12.137  -9.7219   6.6309 -17.4937   10.004  -3.6324   8.8555   32.696   16.091   39.588   18.173 -6.892239 24.27303 
1 1 1   -5   22   54 o   86.635   15.125   25.117   6.9921   25.006   10.703   25.199   9.2353   85.326   22.784   87.944   19.899 -2.618477 30.25010 
1 1 1   -5   22   55 o   48.609   15.099   3.4589   8.1715 -15.8266   16.939   9.3080   9.3287   43.486   21.308   53.732   21.399 -10.24575 30.19823 
1 1 1   -5   22   56 o   59.208   17.822   10.104   9.4356   12.248   17.108   9.1667   11.312   62.361   27.142   56.054   23.105 6.307865 35.64402 
1 1 1   -5   22   57 o   78.899   16.521   28.546   9.7501   4.8401   17.128   39.910   11.859   53.641   24.855  104.157   21.771 -50.51588 33.04218 
1 1 1   -5   23    1 o  224.437   7.7945  132.366   8.8900  148.153   15.868  125.144   10.733  233.827   12.558  215.047   9.2359 18.78006 15.58893 
1 1 1   -5   23    2 o  263.371   7.6365  183.776   10.516  203.468   17.577  172.796   13.125  274.065   11.869  252.677   9.6125 21.38768 15.27294 
1 1 1   -5   23    3 o  325.177   7.5930  285.944   12.573  287.387   21.820  285.227   15.384  325.674   12.399  324.680   8.7684 0.9940796 15.18591 
1 1 1   -5   23    4 o  205.112   11.761  113.965   13.035  113.965   13.035   0.0000   0.0000  205.112   11.761  ?   ?       ?      ? 
1 1 1   -5   23    8 o  284.459   7.2570  218.787   11.146  208.141   15.437  230.384   16.111  277.238   10.304  291.681   10.222 -14.44278 14.51400 
1 1 1   -5   23   10 o  600.042   11.838  976.091   38.385   0.0000   0.0000  976.091   38.385  ?   ?   600.042   11.838      ?      ? 
1 1 1   -5   23   11 o   67.301   15.537   7.5309   7.9506   22.685   11.331  -7.1662   11.159   89.377   23.243   45.225   20.624 44.15244 31.07413 
1 1 1   -5   23   14 o  143.550   10.958   56.031   8.4994   57.200   12.092   54.890   11.949  145.034   15.429  142.067   15.566 2.967285 21.91670 
1 1 1   -5   23   15 o  576.256   11.427  900.481   35.583   0.0000   0.0000  900.481   35.583  ?   ?   576.256   11.427      ?      ? 
1 1 1   -5   23   16 o   68.880   20.236   2.8030   10.227   10.473   22.815   0.8744   11.440   83.643   33.415   54.118   22.836 29.52476 40.47292 
1 1 1   -5   23   17 o  161.779   15.775   70.305   13.555   79.797   21.704   64.234   17.357  170.404   23.571  153.155   20.972 17.24886 31.55016 
1 1 1   -5   23   18 o   98.414   22.337   23.798   13.720   39.144   21.725   13.617   17.695  116.644   32.992   80.185   30.121 36.45874 44.67395 
1 1 1   -5   23   19 o  352.708   10.593  339.826   20.123  311.712   28.672  367.117   28.249  338.151   15.691  367.264   14.234 -29.11285 21.18548 
1 1 1   -5   23   20 o  233.479   9.3946  141.627   11.241  128.748   13.609  169.279   19.941  217.722   11.567  249.236   14.806 -31.51390 18.78918 
1 1 1   -5   23   21 o  282.230   7.1251  216.097   10.860  217.037   15.634  215.219   15.099  282.805   10.230  281.655   9.9204 1.150238 14.25026 
1 1 1   -5   23   22 o  113.130   13.398   35.845   7.8337   26.345   10.797   46.405   11.384   95.959   21.370  130.301   16.168 -34.34246 26.79692 
1 1 1   -5   23   23 o  728.966   13.498  1448.14   53.170   0.0000   0.0000  1448.14   53.170  ?   ?   728.966   13.498      ?      ? 
1 1 1   -5   23   24 o  187.789   9.0475   93.641   8.8665  134.530   13.683   64.044   11.641  222.398   11.386  153.180   14.064 69.21776 18.09510 
1 1 1   -5   23   25 o   85.305   17.652   20.716   8.3957   21.046   10.347   20.079   14.364   85.475   22.203   85.135   27.448 0.3392487 35.30401 
1 1 1   -5   23   26 o  216.361   9.1949  123.497   10.346  112.988   12.764  143.626   17.665  203.632   11.600  229.090   14.270 -25.45824 18.38990 
1 1 1   -5   23   27 o  230.779   9.8358  145.889   12.236  149.212   16.854  142.185   17.794  233.673   13.348  227.884   14.451 5.789764 19.67166 
1 1 1   -5   23   28 o  156.986   12.536   68.793   10.500   76.329   14.343   60.090   15.414  166.674   15.925  147.299   19.365 19.37479 25.07225 
1 1 1   -5   23   29 o  328.930   9.1611  294.309   16.200  280.631   21.650  311.712   24.420  320.433   12.503  337.428   13.393 -16.99432 18.32219 
1 1 1   -5   23   30 o   87.256   17.655   20.101   9.3414   9.1824   12.328   34.820   14.314   65.763   25.041  108.748   24.896 -42.98587 35.31078 
1 1 1   -5   23   31 o  225.216   10.146  139.058   12.298  133.671   16.538  145.721   18.393  220.491   13.881  229.941   14.803 -9.450012 20.29295 
1 1 1   -5   23   32 o  129.689   11.554   45.510   7.9604   52.658   12.757   40.952   10.187  137.665   17.149  121.713   15.489 15.95226 23.10842 
1 1 1   -5   23   33 o   96.685   16.869   27.057   8.6079   24.315   11.018   31.351   13.790   90.818   22.554  102.552   25.091 -11.73392 33.73767 
1 1 1   -5   23   34 o   83.123   22.287   20.385   10.216   0.0000   0.0000   20.385   10.216  ?   ?    83.123   22.287      ?      ? 
1 1 1   -5   23   35 o  175.701   9.4112   84.910   8.6146   86.712   14.264   83.875   10.809  176.659   14.942  174.744   11.447 1.914536 18.82244 
1 1 1   -5   23   36 o   43.546   13.681  -3.2498   6.5975  -7.7055   9.5472   0.8228   9.1274   39.601   18.421   47.491   20.233 -7.889278 27.36255 
1 1 1   -5   23   37 o  199.577   7.8868  108.866   8.4511  115.476   12.832  103.802   11.231  204.750   11.598  194.404   10.691 10.34543 15.77365 
1 1 1   -5   23   38 f  131.404   10.527   48.351   7.4339   47.574   11.046   48.994   10.051  130.188   15.701  132.619   14.025 -2.430923 21.05306 
1 1 1   -5   23   39 o  150.083   9.5410   63.568   7.6110   57.780   11.515   68.059   10.142  143.443   14.856  156.723   11.976 -13.28017 19.08203 
1 1 1   -5   23   40 o   90.673   14.467   24.574   6.8819   26.637   10.412   22.974   9.1711   93.858   21.048   87.488   19.854 6.370163 28.93417 
1 1 1   -5   23   41 o  123.815   10.667   43.950   7.0249   37.068   10.233   50.083   9.6606  113.926   16.623  133.704   13.371 -19.77801 21.33343 
1 1 1   -5   23   42 o  180.188   8.0824   90.693   7.8238   85.112   11.462   95.562   10.706  174.644   12.145  185.731   10.667 -11.08710 16.16481 
1 1 1   -5   23   43 o   73.360   14.911   15.729   6.7022   24.906   9.7957   7.6525   9.1898   90.160   20.562   56.560   21.600 33.60002 29.82178 
1 1 1   -5   23   44 o  173.077   8.4845   84.467   7.8698   78.081   11.596   89.921   10.715  166.499   12.888  179.655   11.038 -13.15579 16.96895 
1 1 1   -5   23   45 o  130.318   10.418   48.167   7.2868   56.662   10.851   41.190   9.8342  140.922   14.249  119.714   15.202 21.20870 20.83642 
1 1 1   -5   23   46 o  189.928   8.0842  102.627   8.1706   88.758   12.046  114.447   11.120  177.125   12.585  202.731   10.150 -25.60548 16.16843 
1 1 1   -5   23   47 o   57.984   15.695   8.5183   6.8301   10.235   10.345   7.1918   9.0942   61.123   23.017   54.845   21.343 6.278130 31.38948 
1 1 1   -5   23   48 o  185.657   8.2255   97.400   8.1629   97.117   12.463   97.613   10.803  184.810   12.480  186.504   10.719 -1.693222 16.45099 
1 1 1   -5   23   49 o   37.333   12.494  -8.3184   6.5897  -7.3826   10.114  -9.0088   8.6868   39.686   18.622   34.979   16.662 4.707458 24.98852 
1 1 1   -5   23   50 o  152.174   11.923   66.330   9.8041   0.0000   0.0000   66.330   9.8041  ?   ?   152.174   11.923      ?      ? 
1 1 1   -5   23   51 o   82.960   16.253   23.414   7.4696   25.848   11.510   21.643   9.8177   85.983   23.908   79.937   22.024 6.046494 32.50607 
1 1 1   -5   23   52 f  208.339   10.511  122.543   11.833   0.0000   0.0000  122.543   11.833  ?   ?   208.339   10.511      ?      ? 
1 1 1   -5   23   53 o   57.956   17.262   9.4409   8.6447   3.8131   18.525   11.008   9.7741   57.577   26.377   58.334   22.276 -0.7579269 34.52478 
1 1 1   -5   23   54 o   54.493   17.074   6.7045   9.7505   0.4155   18.412   9.1554   11.495   53.637   25.155   55.348   23.092 -1.711109 34.14702 
1 1 1   -5   23   55 o   54.364   17.435   2.8203   9.8270   15.651   18.759  -2.0322   11.537   64.439   28.224   44.289   20.479 20.14959 34.87048 
1 1 1   -5   24    1 o  377.938   9.2350  386.801   18.860   0.0000   0.0000  386.801   18.860  ?   ?   377.938   9.2350      ?      ? 
1 1 1   -5   24    2 o  547.127   9.2777  817.208   26.133  796.847   43.986  828.316   32.488  541.437   15.034  552.818   10.875 -11.38129 18.55542 
1 1 1   -5   24    3 o  264.637   7.9048  191.582   10.852  183.514   17.875  196.292   13.658  260.054   12.720  269.221   9.3881 -9.167267 15.80956 
1 1 1   -5   24    5 o  282.033   7.4476  214.812   11.324  195.597   15.553  236.490   16.519  268.642   10.714  295.424   10.348 -26.78146 14.89514 
1 1 1   -5   24    6 o  107.717   13.943   32.191   7.9445   29.945   11.095   34.554   11.380  102.886   20.674  112.548   18.713 -9.662033 27.88538 
1 1 1   -5   24    7 f  348.480   9.8899  329.000   18.623   0.0000   0.0000  329.000   18.623  ?   ?   348.480   9.8899      ?      ? 
1 1 1   -5   24    8 o  194.751   8.9201  102.629   9.2658  126.707   13.574   81.620   12.679  216.143   11.622  173.358   13.535 42.78505 17.84016 
1 1 1   -5   24    9 o   92.175   15.886   24.097   7.8501   21.407   10.812   27.097   11.416   86.791   22.770   97.558   22.160 -10.76674 31.77294 
1 1 1   -5   24   10 o  181.047   12.955   89.003   12.674   0.0000   0.0000   89.003   12.674  ?   ?   181.047   12.955      ?      ? 
1 1 1   -5   24   11 o  305.620   7.2404  252.651   11.943  236.515   16.500  270.406   17.308  295.383   10.337  315.857   10.141 -20.47476 14.48070 
1 1 1   -5   24   12 o  298.979   10.280  260.541   14.579  205.225   26.652  284.162   17.416  274.172   17.989  323.786   9.9541 -49.61438 20.55967 
1 1 1   -5   24   13 o  146.550   20.756   64.391   15.683   45.225   24.459   77.770   20.436  124.896   34.895  168.203   22.484 -43.30734 41.51124 
1 1 1   -5   24   14 o  439.029   11.108  526.816   26.260  477.928   37.229  575.225   37.046  418.512   16.462  459.545   14.918 -41.03229 22.21605 
1 1 1   -5   24   15 o  106.170   23.023   32.078   14.587   26.441   21.805   36.644   19.624   99.746   33.879  112.594   31.185 -12.84754 46.04667 
1 1 1   -5   24   16 o  159.118   19.583   74.518   15.732   59.865   24.745   84.459   20.382  143.088   32.715  175.149   21.535 -32.06136 39.16691 
1 1 1   -5   24   17 o  294.810   7.5057  234.980   11.927  213.889   16.329  259.104   17.464  280.667   10.766  308.954   10.461 -28.28738 15.01139 
1 1 1   -5   24   18 o  115.202   15.267   36.629   8.7952   35.325   10.742   39.279   15.319  113.565   17.505  116.838   25.018 -3.273087 30.53363 
1 1 1   -5   24   19 o  264.478   13.454  190.608   19.227   0.0000   0.0000  190.608   19.227  ?   ?   264.478   13.454      ?      ? 
1 1 1   -5   24   20 o  294.702   9.1887  236.168   14.600  229.730   19.889  243.694   21.501  290.416   12.674  298.988   13.308 -8.572296 18.37746 
1 1 1   -5   24   21 o  400.609   9.3728  437.902   20.284  440.991   28.399  434.685   28.981  402.105   13.070  399.113   13.438 2.992218 18.74569 
1 1 1   -5   24   22 o  222.673   9.8581  134.772   11.804  128.086   15.790  143.243   17.773  216.530   13.495  228.815   14.374 -12.28461 19.71621 
1 1 1   -5   24   23 o  278.139   9.3508  211.770   14.023  219.932   19.459  202.950   20.227  283.849   12.687  272.430   13.740 11.41919 18.70162 
1 1 1   -5   24   24 o  354.782   9.3203  342.987   17.840  370.496   25.925  318.243   24.588  368.305   13.026  341.259   13.334 27.04605 18.64051 
1 1 1   -5   24   25 o  148.950   13.461   61.298   10.689   48.784   14.678   75.428   15.597  132.507   20.500  165.394   17.452 -32.88757 26.92206 
1 1 1   -5   24   26 o  177.205   11.595   85.995   11.060   76.374   15.041   97.320   16.319  166.411   16.726  187.998   16.063 -21.58713 23.19051 
1 1 1   -5   24   27 o  206.863   9.1921  117.066   10.004  117.950   16.118  116.511   12.760  207.176   14.397  206.551   11.432 0.6251221 18.38418 
1 1 1   -5   24   28 o   74.507   16.214   15.610   7.3645   20.389   10.343   10.695   10.489   83.537   22.437   65.478   23.414 18.05879 32.42869 
1 1 1   -5   24   29 o   43.106   13.833  -5.2185   6.9979  -4.2152   9.8477  -6.2419   9.9460   43.947   19.773   42.264   19.349 1.683132 27.66534 
1 1 1   -5   24   30 f  205.995   10.696  115.960   11.906   0.0000   0.0000  115.960   11.906  ?   ?   205.995   10.696      ?      ? 
1 1 1   -5   24   31 o  147.625   13.524   60.029   10.788   0.0000   0.0000   60.029   10.788  ?   ?   147.625   13.524      ?      ? 
1 1 1   -5   24   32 o   52.484   16.008  -1.6939   7.9836  -5.6490   9.8681   5.7996   13.583   42.412   19.362   62.556   25.496 -20.14431 32.01504 
1 1 1   -5   24   33 o  102.224   15.962   32.282   8.4587   36.421   10.553   24.842   14.147  113.913   17.144   90.535   26.930 23.37796 31.92396 
1 1 1   -5   24   34 o   83.416   16.459   21.257   7.6539   17.743   12.609   23.307   9.6311   78.142   25.751   88.690   20.506 -10.54877 32.91810 
1 1 1   -5   24   35 o  223.591   9.6894  136.944   11.707   0.0000   0.0000  136.944   11.707  ?   ?   223.591   9.6894      ?      ? 
1 1 1   -5   24   36 o  112.438   12.542   36.504   7.3888   34.330   10.910   38.347   10.042  108.113   19.388  116.763   15.916 -8.649887 25.08392 
1 1 1   -5   24   37 o   85.910   14.885   21.866   7.0604   31.189   10.464   14.075   9.5663  102.527   19.602   69.293   22.406 33.23391 29.76995 
1 1 1   -5   24   38 o   47.917   14.124  -1.9046   6.7759   8.9394   9.8619 -11.6016   9.3258   60.168   22.509   35.667   17.065 24.50084 28.24718 
1 1 1   -5   24   39 o  294.949   6.8016  240.257   10.807  223.033   15.472  256.663   15.100  284.330   10.070  305.568   9.1450 -21.23804 13.60312 
1 1 1   -5   24   40 o  328.069   9.1618  296.225   16.242   0.0000   0.0000  296.225   16.242  ?   ?   328.069   9.1618      ?      ? 
1 1 1   -5   24   41 o   68.034   15.942   13.857   6.8825   11.702   10.197   15.660   9.3273   64.518   23.085   71.550   21.993 -7.032799 31.88427 
1 1 1   -5   24   42 o   57.418   15.421   7.4386   6.6998   12.307   10.114   3.6317   8.9434   65.132   23.024   49.703   20.522 15.42926 30.84191 
1 1 1   -5   24   43 o  231.561   9.8599  148.719   12.337   0.0000   0.0000  148.719   12.337  ?   ?   231.561   9.8599      ?      ? 
1 1 1   -5   24   44 o  156.936   10.017   73.036   8.0214   47.765   11.506   96.929   11.188  127.832   16.657  186.040   11.129 -58.20747 20.03337 
1 1 1   -5   24   45 o  232.818   7.3231  150.818   9.1785  154.484   13.646  147.790   12.403  235.124   10.740  230.511   9.9577 4.613388 14.64628 
1 1 1   -5   24   46 o  116.297   12.647   42.075   7.3980   31.120   10.970   51.213   10.019   99.024   21.144  133.571   13.881 -34.54626 25.29386 
1 1 1   -5   24   47 o   65.924   15.176   11.636   6.9022   23.303   10.448   2.6021   9.1939   84.075   22.538   47.773   20.329 36.30201 30.35190 
1 1 1   -5   24   48 o   51.249   14.841   3.6411   6.7958   10.902   10.253  -2.0485   9.0759   60.669   22.899   41.829   18.886 18.84002 29.68254 
1 1 1   -5   24   49 o  189.910   8.1757  102.227   8.3045  110.679   12.865   96.189   10.873  196.013   12.146  183.806   10.948 12.20711 16.35143 
1 1 1   -5   24   50 o   68.729   14.796   14.571   7.4967  -1.5947   11.378   26.974   9.9659   46.624   21.090   90.835   20.757 -44.21038 29.59134 
1 1 1   -5   24   51 o   76.879   13.514   20.711   9.3632 -40.2027   19.472   39.033   10.679   41.056   20.569  112.702   17.535 -71.64589 27.02868 
1 1 1   -5   24   52 o   56.742   17.881   7.2663   9.9648   17.813   18.952   3.2365   11.715   64.903   28.399   48.581   21.734 16.32159 35.76130 
1 1 1   -5   24   53 o   68.686   17.397   18.122   10.282  -7.9054   19.278   28.468   12.155   51.009   24.440   86.363   24.764 -35.35308 34.79335 
1 1 1   -5   24   54 o  173.787   9.2704   92.682   8.5544   82.311   12.756  101.159   11.532  162.702   14.509  184.872   11.544 -22.16910 18.54079 
1 1 1   -5   25    1 o  261.989   10.583  186.192   14.982   0.0000   0.0000  186.192   14.982  ?   ?   261.989   10.583      ?      ? 
1 1 1   -5   25    2 o  566.532   15.617  874.775   47.810   0.0000   0.0000  874.775   47.810  ?   ?   566.532   15.617      ?      ? 
1 1 1   -5   25    3 o  311.885   8.8401  264.598   14.881  275.450   20.872  253.378   21.223  318.448   12.130  305.322   12.863 13.12598 17.68027 
1 1 1   -5   25    4 o   95.348   17.176   25.046   9.0798   16.432   12.084   36.216   13.760   78.037   25.177  112.659   23.370 -34.62174 34.35150 
1 1 1   -5   25    5 o  181.237   10.873   88.922   10.590   84.054   14.121   95.180   16.010  175.657   14.877  186.817   15.860 -11.16016 21.74515 
1 1 1   -5   25    6 o  183.204   10.857   91.264   10.716   88.671   14.517   94.369   15.885  180.400   14.892  186.008   15.804 -5.607956 21.71454 
1 1 1   -5   25    7 o   73.202   26.959   12.027   14.040   0.0000   0.0000   12.027   14.040  ?   ?    73.202   26.959      ?      ? 
1 1 1   -5   25   13 o  415.996   9.8198  463.845   21.774  427.027   28.149  518.694   34.357  395.975   13.156  436.016   14.582 -40.04050 19.63964 
1 1 1   -5   25   14 o  223.794   10.058  137.416   12.085  152.477   16.896  121.644   17.291  236.567   13.218  211.021   15.163 25.54637 20.11549 
1 1 1   -5   25   15 o  407.084   9.5407  451.421   20.963  443.018   28.857  460.811   30.505  403.144   13.246  411.024   13.734 -7.880188 19.08140 
1 1 1   -5   25   16 o  123.810   15.334   39.843   9.6618   25.450   12.099   65.180   16.052   93.846   23.818  153.774   19.318 -59.92884 30.66745 
1 1 1   -5   25   17 o  233.316   9.6974  145.999   12.100  130.405   15.787  168.198   18.837  218.555   13.368  248.077   14.052 -29.52277 19.39478 
1 1 1   -5   25   18 o  217.500   10.036  129.818   11.758  137.883   16.367  121.216   16.903  224.634   13.484  210.366   14.870 14.26836 20.07283 
1 1 1   -5   25   19 o  311.598   12.272  264.865   20.664  264.865   20.664   0.0000   0.0000  311.598   12.272  ?   ?       ?      ? 
1 1 1   -5   25   20 o  191.229   9.8458  103.271   9.7813   73.018   14.124  131.152   13.559  163.055   16.030  219.403   11.437 -56.34871 19.69164 
1 1 1   -5   25   22 o  221.297   11.320  133.529   13.537   0.0000   0.0000  133.529   13.537  ?   ?   221.297   11.320      ?      ? 
1 1 1   -5   25   23 o   90.881   15.650   24.472   7.8589   15.485   11.377   32.675   10.869   74.912   24.449  106.851   19.545 -31.93885 31.30092 
1 1 1   -5   25   24 o  199.399   8.3326  108.346   8.9432  112.577   13.346  104.897   12.049  202.842   12.176  195.956   11.379 6.886230 16.66515 
1 1 1   -5   25   25 o  140.175   11.000   53.860   8.2640   64.405   12.223   44.981   11.216  152.865   14.797  127.486   16.281 25.37955 22.00073 
1 1 1   -5   25   26 o   75.411   16.160   14.921   7.7110   25.278   11.386   6.1480   10.480   92.671   22.876   58.150   22.831 34.52123 32.31982 
1 1 1   -5   25   27 o   56.930   15.912   4.6619   7.4364   9.8941   10.847   0.0213   10.215   64.442   23.701   49.418   21.238 15.02388 31.82486 
1 1 1   -5   25   28 o  154.229   9.7592   65.813   8.0569   55.114   11.298   76.882   11.492  141.195   14.808  167.262   12.715 -26.06664 19.51834 
1 1 1   -5   25   29 o   58.684   15.881   6.2263   7.3537   0.4961   10.380   12.000   10.419   50.169   21.481   67.198   23.397 -17.02848 31.76214 
1 1 1   -5   25   30 o   61.160   16.113   8.7404   7.1608   7.0902   10.157   10.371   10.097   58.528   22.617   63.791   22.955 -5.263039 32.22522 
1 1 1   -5   25   31 o   81.291   17.505   16.930   8.1514   11.105   9.8771   29.369   14.434   64.702   22.765   97.880   26.597 -33.17815 35.00930 
1 1 1   -5   25   32 o   95.098   16.944   25.681   8.4971   20.294   10.583   35.450   14.253   82.266   22.943  107.930   24.940 -25.66387 33.88756 
1 1 1   -5   25   33 o   46.009   14.474  -3.2688   7.4202  -9.7050   11.524   1.2897   9.6983   42.821   20.024   49.198   20.906 -6.376942 28.94886 
1 1 1   -5   25   34 o  200.671   10.706  110.930   11.610   0.0000   0.0000  110.930   11.610  ?   ?   200.671   10.706      ?      ? 
1 1 1   -5   25   35 o   60.813   15.685   9.0424   7.0761   2.6072   10.714   14.022   9.4240   52.563   22.135   69.063   22.229 -16.49961 31.37023 
1 1 1   -5   25   36 o  276.148   7.0071  210.321   10.436  200.502   14.976  219.590   14.551  269.677   10.277  282.619   9.5279 -12.94183 14.01429 
1 1 1   -5   25   37 o   78.138   15.351   18.230   7.0473   26.636   10.302   10.835   9.6619   93.458   20.920   62.818   22.471 30.64011 30.70210 
1 1 1   -5   25   38 o  100.579   13.873   30.310   7.3467   28.096   10.859   32.178   9.9764   95.566   21.543  105.592   17.485 -10.02618 27.74578 
1 1 1   -5   25   39 o  166.704   8.9150   77.807   8.0051   78.769   11.828   76.993   10.873  167.430   13.074  165.979   12.123 1.450455 17.82995 
1 1 1   -5   25   40 o   75.246   14.814   17.417   7.0662   5.8485   10.300   27.702   9.7118   55.137   22.302   95.355   19.506 -40.21746 29.62835 
1 1 1   -5   25   41 o  226.879   7.4378  143.212   9.0987  144.458   13.336  142.128   12.445  227.592   10.844  226.167   10.183 1.425278 14.87556 
1 1 1   -5   25   42 o  128.499   11.169   48.379   7.6491   43.589   11.380   52.327   10.331  121.760   17.296  135.239   14.137 -13.47952 22.33816 
1 1 1   -5   25   43 o   77.841   15.791   19.250   7.0116   22.412   10.293   16.513   9.5778   83.532   22.360   72.149   22.305 11.38253 31.58261 
1 1 1   -5   25   44 o   83.352   15.564   22.546   7.1256   20.755   10.554   24.047   9.6594   79.666   23.143   87.039   20.818 -7.372307 31.12852 
1 1 1   -5   25   45 o   37.276   12.575 -10.1479   7.0211 -10.4011   10.415  -9.9370   9.5060   38.186   18.205   36.366   17.353 1.819988 25.15039 
1 1 1   -5   25   46 o  152.946   9.4347   67.521   7.7775   65.674   11.299   69.184   10.722  150.556   13.888  155.336   12.774 -4.780365 18.86933 
1 1 1   -5   25   47 o   81.387   16.035   22.764   7.3062   24.526   10.715   21.234   9.9881   84.169   22.934   78.605   22.418 5.563789 32.07101 
1 1 1   -5   25   48 o  141.272   10.441   58.649   7.9448   61.188   11.805   56.547   10.741  143.703   15.203  138.840   14.317 4.863617 20.88292 
1 1 1   -5   25   49 o   68.397   19.305   11.291   10.194   27.432   18.537   4.2950   12.204   83.138   30.908   53.655   23.138 29.48283 38.60929 
1 1 1   -5   25   50 o   58.798   17.988   8.3406   9.8724   19.682   17.399   2.9550   11.989   68.269   28.440   49.327   22.033 18.94233 35.97641 
1 1 1   -5   25   51 o  103.293   16.777   46.064   10.507   19.417   17.560   60.923   13.113   68.609   28.576  137.978   17.587 -69.36887 33.55466 
1 1 1   -5   25   52 o   46.295   14.138   0.8394   7.2214 -10.6264   10.692   10.458   9.7925   36.640   17.717   55.950   22.037 -19.31023 28.27604 
1 1 1   -5   26    1 o  202.631   12.565  111.774   13.758   0.0000   0.0000  111.774   13.758  ?   ?   202.631   12.565      ?      ? 
1 1 1   -5   26    2 o   80.959   24.940   18.286   11.987   0.0000   0.0000   18.286   11.987  ?   ?    80.959   24.940      ?      ? 
1 1 1   -5   26    4 o  460.882   10.476  576.978   26.091   0.0000   0.0000  576.978   26.091  ?   ?   460.882   10.476      ?      ? 
1 1 1   -5   26    6 o  148.591   21.070   65.967   16.026   53.446   25.806   73.829   20.448  134.077   35.178  163.105   23.200 -29.02821 42.13970 
1 1 1   -5   26    7 o   77.648   20.301   12.664   10.702   9.8380   12.997   18.615   18.859   68.340   25.785   86.956   31.363 -18.61615 40.60154 
1 1 1   -5   26    8 o  176.821   10.017   84.303   9.5037   76.488   12.563   94.760   14.532  167.397   13.888  186.245   14.439 -18.84773 20.03452 
1 1 1   -5   26    9 o   81.815   15.469   19.016   7.9489   31.283   10.781   4.4028   11.767  104.857   19.752   58.773   23.814 46.08457 30.93898 
1 1 1   -5   26   10 o  148.202   11.238   60.184   8.9404   51.371   12.399   69.729   12.904  136.784   16.774  159.622   14.960 -22.83781 22.47656 
1 1 1   -5   26   11 o  197.803   12.403  106.696   13.257  106.696   13.257   0.0000   0.0000  197.803   12.403  ?   ?       ?      ? 
1 1 1   -5   26   12 o  142.989   10.852   55.962   8.3448   48.808   11.542   63.797   12.078  133.337   16.020  152.642   14.644 -19.30510 21.70427 
1 1 1   -5   26   13 o  217.036   8.2269  128.313   9.6380  127.169   13.300  129.579   13.987  216.055   11.392  218.016   11.873 -1.960068 16.45374 
1 1 1   -5   26   14 o  387.167   10.141  407.666   21.216   0.0000   0.0000  407.666   21.216  ?   ?   387.167   10.141      ?      ? 
1 1 1   -5   26   16 o  103.890   15.049   31.152   8.1619   34.269   11.453   27.935   11.635  109.572   20.083   98.207   22.418 11.36549 30.09794 
1 1 1   -5   26   17 o   72.946   16.175   13.514   7.7631   4.1750   10.878   23.209   11.083   56.504   22.896   89.389   22.855 -32.88495 32.35097 
1 1 1   -5   26   18 o  101.897   14.759   30.645   8.1680   47.769   11.594   13.770   11.509  131.669   16.295   72.124   24.614 59.54562 29.51854 
1 1 1   -5   26   19 o  110.036   14.129   34.643   8.0724   33.852   10.990   35.570   11.896  108.807   19.403  111.265   20.543 -2.458328 28.25750 
1 1 1   -5   26   20 o  284.600   10.258  220.828   15.775   0.0000   0.0000  220.828   15.775  ?   ?   284.600   10.258      ?      ? 
1 1 1   -5   26   22 o  169.101   9.4392   78.601   8.6212   80.792   12.141   76.373   12.244  171.532   13.098  166.671   13.595 4.860901 18.87844 
1 1 1   -5   26   23 o  110.079   13.498   34.438   7.8033   29.487   10.873   39.697   11.206  100.702   20.673  119.456   17.360 -18.75343 26.99549 
1 1 1   -5   26   25 o  148.880   10.319   61.073   8.2343   51.111   11.304   72.337   12.019  135.792   15.405  161.967   13.733 -26.17415 20.63744 
1 1 1   -5   26   26 o  289.928   7.1291  229.206   11.149  241.024   16.379  219.002   15.219  296.827   10.211  283.030   9.9510 13.79675 14.25814 
1 1 1   -5   26   27 o  134.110   11.064   50.164   8.0139   51.874   11.334   48.454   11.333  136.470   15.369  131.751   15.918 4.718948 22.12700 
1 1 1   -5   26   28 o   97.805   15.048   28.341   7.7217   29.302   11.171   27.461   10.685   99.371   21.434   96.238   21.126 3.132828 30.09559 
1 1 1   -5   26   29 o   54.780   15.560   4.0816   7.2020  -0.1970   9.9123   8.8661   10.482   47.991   20.773   61.569   23.172 -13.57876 31.12030 
1 1 1   -5   26   30 o  122.670   13.567   40.116   8.6017   33.863   10.463   53.153   15.108  109.379   17.703  135.961   20.564 -26.58256 27.13386 
1 1 1   -5   26   31 o  184.462   10.677   99.958   9.9796  112.624   12.686   79.392   16.165  201.908   11.627  167.016   17.911 34.89195 21.35432 
1 1 1   -5   26   32 o   97.982   15.648   27.925   8.0467   38.311   12.777   21.097   10.359  112.823   21.746   83.142   22.507 29.68127 31.29617 
1 1 1   -5   26   33 o   62.108   15.822   9.2826   7.1652   3.0901   10.086   15.592   10.181   51.910   21.642   72.305   23.087 -20.39452 31.64458 
1 1 1   -5   26   34 o   65.236   16.633   11.630   7.5165   10.549   10.834   12.633   10.437   63.682   23.638   66.789   23.407 -3.107079 33.26656 
1 1 1   -5   26   35 o   84.294   15.845   21.847   7.3362   25.078   10.927   19.196   9.8987   89.803   22.550   78.785   22.265 11.01862 31.68979 
1 1 1   -5   26   36 o  143.806   10.240   57.776   7.8886   69.504   11.851   48.445   10.571  156.971   13.971  130.641   14.974 26.32965 20.47989 
1 1 1   -5   26   37 o  240.108   7.3998  160.330   9.5624  153.871   13.983  166.004   13.106  235.228   11.001  244.988   9.9001 -9.760818 14.79966 
1 1 1   -5   26   38 o  109.224   13.309   35.788   7.6299   32.170   10.950   39.202   10.638  102.268   20.528  116.180   16.944 -13.91238 26.61765 
1 1 1   -5   26   39 o  145.820   9.8831   60.586   7.7731   60.350   11.321   60.796   10.692  145.311   14.418  146.329   13.521 -1.017975 19.76621 
1 1 1   -5   26   40 o  185.507   11.313   96.513   11.340   0.0000   0.0000   96.513   11.340  ?   ?   185.507   11.313      ?      ? 
1 1 1   -5   26   41 o   46.861   14.424   0.5191   6.8562   2.1954   9.7757  -1.1038   9.6185   48.925   20.894   44.798   19.890 4.127052 28.84734 
1 1 1   -5   26   42 o   53.477   15.404   5.5749   7.0139   7.4075   10.229   3.9486   9.6360   56.324   22.415   50.630   21.135 5.693806 30.80762 
1 1 1   -5   26   43 o  123.748   11.684   45.844   7.6961   39.313   11.214   51.659   10.581  114.181   18.175  133.315   14.688 -19.13393 23.36843 
1 1 1   -5   26   44 o   89.622   15.462   26.405   7.4081   26.010   10.919   26.742   10.084   88.345   22.738   90.899   20.959 -2.554016 30.92421 
1 1 1   -5   26   45 o  109.560   13.192   37.747   7.6158   38.126   11.241   37.425   10.354  108.632   19.882  110.489   17.343 -1.857162 26.38319 
1 1 1   -5   26   46 o   33.902   11.735 -16.1509   7.2368 -19.4841   10.650 -13.2912   9.8642   33.160   16.373   34.643   16.815 -1.482639 23.46976 
1 1 1   -5   26   47 o   89.821   20.117   31.221   10.996   26.667   19.397   33.378   13.349   82.222   31.385   97.421   25.175 -15.19868 40.23460 
1 1 1   -5   26   48 o   72.300   19.446   15.575   10.433   39.324   18.652   4.7613   12.586   92.170   31.334   52.429   23.037 39.74034 38.89120 
1 1 1   -5   26   49 o   61.884   18.330   13.903   10.199   11.986   17.313   14.921   12.621   60.851   26.867   62.918   24.943 -2.067623 36.65985 
1 1 1   -5   26   50 o   56.986   15.713   9.6739   7.2550   16.306   10.650   3.9316   9.9102   66.049   23.596   47.922   20.757 18.12741 31.42653 
1 1 1   -5   26   51 o   90.546   14.666   31.348   7.6442   17.655   11.075   43.807   10.564   65.468   23.969  115.624   16.908 -50.15607 29.33278 
1 1 1   -5   27    1 o   99.709   28.921   28.988   16.494   0.0000   0.0000   28.988   16.494  ?   ?    99.709   28.921      ?      ? 
1 1 1   -5   27    2 f  116.340   13.978   37.026   8.7875   0.0000   0.0000   37.026   8.7875  ?   ?   116.340   13.978      ?      ? 
1 1 1   -5   27    3 o  301.293   12.622  247.767   20.549   0.0000   0.0000  247.767   20.549  ?   ?   301.293   12.622      ?      ? 
1 1 1   -5   27    4 o  144.361   10.680   62.693   7.3423   43.941   12.787   71.917   8.9681  126.114   18.763  162.608   10.206 -36.49416 21.35955 
1 1 1   -5   27    5 o  203.495   8.0423  115.094   8.4010  105.113   13.960  120.761   10.519  196.152   13.171  210.837   9.2327 -14.68588 16.08457 
1 1 1   -5   27    6 o   50.981   15.019   2.0697   6.5543   1.8552   11.316   2.1780   8.0405   54.507   22.840   47.454   19.510 7.052902 30.03852 
1 1 1   -5   27    7 o  210.560   8.5973  121.009   9.7741  115.584   13.833  126.418   13.813  205.797   12.439  215.322   11.871 -9.525208 17.19455 
1 1 1   -5   27    8 o  106.221   14.212   31.092   7.8778   17.477   10.389   49.513   12.084   78.300   23.022  134.143   16.671 -55.84345 28.42465 
1 1 1   -5   27   10 o  232.969   11.362  147.968   14.303   0.0000   0.0000  147.968   14.303  ?   ?   232.969   11.362      ?      ? 
1 1 1   -5   27   11 o  125.601   18.497   43.687   12.554   0.0000   0.0000   43.687   12.554  ?   ?   125.601   18.497      ?      ? 
1 1 1   -5   27   12 o  171.832   9.5315   80.623   8.7890   68.306   12.077   94.491   12.815  157.802   14.163  185.863   12.760 -28.06070 19.06296 
1 1 1   -5   27   13 o   83.455   16.556   19.540   7.8960   13.909   10.560   26.679   11.891   71.406   23.568   95.503   23.258 -24.09666 33.11131 
1 1 1   -5   27   14 o  129.054   16.175   45.990   11.280   45.990   11.280   0.0000   0.0000  129.054   16.175  ?   ?       ?      ? 
1 1 1   -5   27   15 o  270.634   7.4644  198.792   10.884  180.271   14.832  220.405   16.023  257.015   10.680  284.253   10.431 -27.23813 14.92877 
1 1 1   -5   27   17 o  174.084   9.3999   83.388   8.8102   74.948   12.408   91.969   12.512  165.049   13.912  183.118   12.644 -18.06953 18.79976 
1 1 1   -5   27   18 o   99.505   15.260   28.797   7.9353   30.398   11.888   27.511   10.657  101.856   22.224   97.155   20.918 4.701752 30.52021 
1 1 1   -5   27   19 o  189.721   8.7820   98.760   8.9961   93.746   12.655  103.883   12.791  184.793   12.673  194.649   12.161 -9.856171 17.56405 
1 1 1   -5   27   20 o  136.180   10.959   51.553   8.0305   54.707   11.109   48.100   11.621  140.745   14.607  131.615   16.341 9.130676 21.91783 
1 1 1   -5   27   21 o   53.925   15.727   2.9349   7.4589   5.5878   10.829   0.5400   10.289   57.755   23.038   50.094   21.416 7.660645 31.45456 
1 1 1   -5   27   22 o  150.402   10.342   62.480   8.3516   72.714   12.162   53.349   11.488  162.208   13.876  138.596   15.340 23.61150 20.68450 
1 1 1   -5   27   23 o   61.009   16.347   7.5091   7.7039   12.986   10.832   1.9040   10.959   69.082   23.867   52.936   22.344 16.14586 32.69400 
1 1 1   -5   27   24 o  208.298   8.3007  119.104   9.3263  129.507   13.545  109.725   12.860  216.985   11.552  199.611   11.923 17.37454 16.60134 
1 1 1   -5   27   25 o  184.841   9.1290   94.276   9.1088   99.184   13.243   89.869   12.548  189.387   12.941  180.295   12.880 9.092804 18.25799 
1 1 1   -5   27   26 o   70.561   16.513   13.543   7.6403   19.857   10.943   7.5378   10.672   81.358   23.546   59.763   23.158 21.59505 33.02556 
1 1 1   -5   27   27 o   57.204   15.958   6.3172   7.2781   7.2516   9.9233   5.2295   10.707   58.034   22.375   56.374   22.760 1.660156 31.91619 
1 1 1   -5   27   28 o   99.247   14.570   29.417   7.5570   28.362   10.772   30.440   10.605   97.242   21.105  101.251   20.091 -4.008163 29.13947 
1 1 1   -5   27   29 o  109.945   15.854   38.467   8.9751   45.906   11.552   27.140   14.255  127.111   16.818   92.779   26.880 34.33211 31.70827 
1 1 1   -5   27   30 o  115.863   15.351   43.479   8.6819   50.840   10.805   30.068   14.585  134.403   14.877   97.323   26.856 37.07981 30.70177 
1 1 1   -5   27   31 o  181.702   9.8734   92.980   9.5741   90.676   14.617   94.711   12.670  179.145   15.100  184.260   12.725 -5.114731 19.74674 
1 1 1   -5   27   32 f  163.019   10.369   75.330   9.0271   73.986   13.769   76.343   11.955  161.147   15.813  164.891   13.417 -3.744095 20.73761 
1 1 1   -5   27   33 o  108.693   14.047   34.856   7.9634   46.151   11.866   25.598   10.742  126.506   17.358   90.879   22.089 35.62717 28.09335 
1 1 1   -5   27   34 o  190.361   8.7104  101.740   8.9118   90.351   12.640  112.998   12.567  179.334   13.043  201.389   11.548 -22.05473 17.42077 
1 1 1   -5   27   35 o  118.649   12.048   40.789   7.7173   43.225   11.080   38.493   10.755  122.210   16.778  115.088   17.295 7.121887 24.09557 
1 1 1   -5   27   36 o   55.503   15.465   5.7058   7.1737  -0.3759   10.133   11.816   10.157   46.952   20.649   64.055   23.026 -17.10361 30.92921 
1 1 1   -5   27   37 o  134.563   10.657   52.121   7.7467   50.631   10.946   53.617   10.964  132.517   15.287  136.609   14.853 -4.091904 21.31440 
1 1 1   -5   27   38 o   68.931   15.554   13.849   7.1624   5.2227   9.9846   22.994   10.280   53.208   21.793   84.655   22.200 -31.44728 31.10865 
1 1 1   -5   27   39 o  113.708   12.305   38.109   7.5568   36.676   10.662   39.555   10.712  111.389   17.714  116.027   17.085 -4.637856 24.61086 
1 1 1   -5   27   40 o  171.515   9.2021   83.391   8.4238  102.570   12.435   67.126   11.452  190.244   12.096  152.786   13.871 37.45825 18.40430 
1 1 1   -5   27   41 o   69.078   16.533   15.384   7.4284   12.560   10.682   18.028   10.338   64.244   23.537   73.911   23.226 -9.666908 33.06677 
1 1 1   -5   27   42 o  122.962   11.879   45.254   7.8651   50.134   11.289   40.651   10.964  129.904   16.082  116.021   17.488 13.88363 23.75857 
1 1 1   -5   27   43 f  110.583   13.621   38.805   7.9724   40.718   11.484   37.025   11.077  114.190   18.611  106.976   19.894 7.214775 27.24229 
1 1 1   -5   27   44 o   73.936   19.922   18.169   9.8141   22.635   21.056   16.930   11.093   77.481   31.681   70.392   24.162 7.089325 39.84306 
1 1 1   -5   27   45 o   56.881   17.796   1.9778   11.498 -16.2072   20.109   10.811   14.015   50.860   24.521   62.902   25.798 -12.04177 35.59177 
1 1 1   -5   27   46 o  104.301   20.556   44.475   11.626   48.468   20.370   42.545   14.159  101.576   32.680  107.026   24.944 -5.449211 41.11169 
1 1 1   -5   27   47 o   91.353   17.401   32.117   9.1112   21.998   12.184   44.955   13.724   73.299   25.313  109.407   23.883 -36.10838 34.80159 
1 1 1   -5   27   48 o   59.910   16.327   12.205   7.6519   8.2766   11.330   15.499   10.376   54.768   22.895   65.052   23.285 -10.28399 32.65481 
1 1 1   -5   27   49 o   73.108   16.365   21.043   7.4720   27.836   10.963   15.149   10.211   84.078   23.315   62.137   22.972 21.94150 32.73077 
1 1 1   -5   28    1 o  158.079   10.341   68.135   8.8334   0.0000   0.0000   68.135   8.8334  ?   ?   158.079   10.341      ?      ? 
1 1 1   -5   28    2 o  104.598   14.586   30.101   8.2441   0.0000   0.0000   30.101   8.2441  ?   ?   104.598   14.586      ?      ? 
1 1 1   -5   28    3 o  178.757   9.0770   86.950   8.7678   0.0000   0.0000   86.950   8.7678  ?   ?   178.757   9.0770      ?      ? 
1 1 1   -5   28    4 o  169.370   13.032   78.656   11.927   0.0000   0.0000   78.656   11.927  ?   ?   169.370   13.032      ?      ? 
1 1 1   -5   28    5 o  103.508   13.829   30.646   7.2031   29.797   12.165   31.105   8.9385  100.856   22.851  106.161   15.582 -5.305176 27.65772 
1 1 1   -5   28    6 o  185.742   8.3980   95.881   8.0231   89.302   13.346   99.604   10.040  180.290   13.699  191.194   9.7176 -10.90427 16.79603 
1 1 1   -5   28    7 o  240.485   8.2875  157.569   10.737  166.216   15.954  150.411   14.516  246.424   11.981  234.546   11.454 11.87856 16.57495 
1 1 1   -5   28    8 o   64.434   15.742   6.4382   7.4417  -3.0178   9.5866   20.775   11.804   44.537   19.811   84.331   24.469 -39.79362 31.48347 
1 1 1   -5   28    9 o  147.609   10.471   60.258   8.3020   61.907   11.241   58.279   12.314  150.021   13.866  145.197   15.695 4.824417 20.94264 
1 1 1   -5   28   10 o  131.212   11.380   47.717   8.0545   48.754   11.146   46.584   11.652  132.814   15.531  129.611   16.637 3.203171 22.75967 
1 1 1   -5   28   11 o   85.300   16.028   21.260   7.4510   20.734   9.8067   21.978   11.460   84.164   21.489   86.437   23.787 -2.273178 32.05595 
1 1 1   -5   28   12 o  192.039   8.6831  101.200   8.9984  102.909   12.473   99.346   12.995  193.814   11.909  190.264   12.639 3.550140 17.36613 
1 1 1   -5   28   13 o  177.920   9.3783   87.378   8.9798   93.326   12.466   80.964   12.946  184.408   12.510  171.433   13.975 12.97533 18.75669 
1 1 1   -5   28   14 o  215.447   8.4916  127.348   9.8800  123.491   14.056  131.114   13.890  212.155   12.261  218.740   11.751 -6.585800 16.98313 
1 1 1   -5   28   15 o  173.329   9.4033   82.768   8.7946   87.915   12.451   77.643   12.424  178.810   12.886  167.849   13.698 10.96042 18.80655 
1 1 1   -5   28   16 o   82.179   16.340   20.000   7.8070   25.771   10.750   13.558   11.357   93.501   21.696   70.858   24.440 22.64296 32.68057 
1 1 1   -5   28   18 o  230.988   10.988  146.365   13.715   0.0000   0.0000  146.365   13.715  ?   ?   230.988   10.988      ?      ? 
1 1 1   -5   28   19 o  150.023   10.409   63.096   8.3201   51.379   11.776   74.772   11.756  135.592   16.073  164.455   13.229 -28.86308 20.81715 
1 1 1   -5   28   20 o  191.320   8.8220  100.614   9.0854   88.988   12.468  113.773   13.266  179.459   12.858  203.181   12.083 -23.72215 17.64397 
1 1 1   -5   28   21 o  194.426   8.7090  104.545   9.1075   92.709   12.823  116.595   12.938  183.077   12.961  205.775   11.636 -22.69843 17.41796 
1 1 1   -5   28   22 o  272.996   10.306  204.491   15.203   0.0000   0.0000  204.491   15.203  ?   ?   272.996   10.306      ?      ? 
1 1 1   -5   28   23 o  152.120   10.442   64.684   8.5736   62.142   12.228   67.142   12.025  149.036   15.183  155.204   14.338 -6.167664 20.88312 
1 1 1   -5   28   24 o  134.045   12.486   52.694   8.4157   69.499   11.933   36.067   11.870  157.850   13.991  110.239   20.686 47.61158 24.97286 
1 1 1   -5   28   25 o  144.262   10.688   58.590   8.3165   54.767   11.781   62.386   11.741  139.365   15.644  149.159   14.567 -9.793808 21.37636 
1 1 1   -5   28   26 o  149.661   10.393   62.941   8.3738   56.189   11.691   70.054   11.999  141.166   15.327  158.156   14.041 -16.98961 20.78570 
1 1 1   -5   28   28 o  193.910   9.0342  104.919   9.4348   93.909   13.126  116.689   13.571  183.147   13.263  204.671   12.271 -21.52411 18.06849 
1 1 1   -5   28   29 o   69.472   16.429   13.940   8.2225   21.955   10.425   0.7466   13.375   84.057   22.505   54.888   23.941 29.16887 32.85808 
1 1 1   -5   28   30 o  186.478   9.9286   98.737   9.8289   94.234   15.168  101.997   12.905  181.973   15.425  190.983   12.505 -9.009628 19.85722 
1 1 1   -5   28   31 o   69.446   16.983   14.041   8.0015   8.9279   11.613   18.663   11.041   61.610   24.078   77.282   23.957 -15.67201 33.96581 
1 1 1   -5   28   32 o   73.808   15.847   15.571   7.7722   27.523   11.154   4.2919   10.836   93.616   22.357   54.000   22.466 39.61531 31.69481 
1 1 1   -5   28   33 o   59.140   16.021   8.2935   7.3772   12.673   10.320   3.7170   10.550   65.696   23.253   52.584   22.045 13.11190 32.04189 
1 1 1   -5   28   34 o   52.308   15.177   2.3980   7.2840  -4.8128   9.9267   10.809   10.721   41.970   19.257   62.646   23.463 -20.67635 30.35373 
1 1 1   -5   28   35 o  138.902   10.799   55.710   8.0986   56.618   11.728   54.881   11.197  139.835   15.521  137.968   15.019 1.867554 21.59753 
1 1 1   -5   28   36 o   45.650   14.291  -4.1316   7.4390   5.5167   10.693 -13.1806   10.356   54.714   22.498   36.586   17.628 18.12782 28.58135 
1 1 1   -5   28   37 o  140.684   10.899   57.870   8.2030   50.246   11.784   65.039   11.426  130.796   16.673  150.571   14.043 -19.77568 21.79891 
1 1 1   -5   28   38 o   68.958   16.399   14.888   7.4941   20.620   10.704   9.3770   10.496   78.740   23.425   59.177   22.956 19.56286 32.79821 
1 1 1   -5   28   39 o  158.149   9.8639   72.250   8.4291   71.285   11.894   73.224   11.948  157.040   14.016  159.259   13.883 -2.219345 19.72787 
1 1 1   -5   28   40 o   52.219   14.777   1.3930   7.3696 -11.0812   10.149   15.305   10.718   36.712   17.628   67.726   23.721 -31.01390 29.55424 
1 1 1   -5   28   41 o   55.168   15.953   7.3956   7.5856   5.6537   10.960   8.9970   10.509   53.200   22.395   57.137   22.726 -3.936604 31.90594 
1 1 1   -5   28   42 o   50.367   16.942  -9.4989   11.934 -10.9144   20.643  -8.7883   14.627   53.939   25.692   46.795   22.093 7.144283 33.88464 
1 1 1   -5   28   43 o   60.993   18.303   5.7298   11.855 -16.5180   20.014   17.754   14.714   50.442   24.355   71.544   27.329 -21.10133 36.60640 
1 1 1   -5   28   44 o   83.776   19.347   31.712   12.014   11.631   19.642   43.716   15.186   62.423   28.019  105.130   26.686 -42.70674 38.69357 
1 1 1   -5   28   45 o  108.140   14.407   39.930   8.2262   45.759   12.059   34.856   11.250  117.413   19.007   98.867   21.657 18.54643 28.81477 
1 1 1   -5   28   46 o  107.992   14.004   39.255   7.9373   33.877   11.253   44.580   11.197   97.880   21.832  118.105   17.545 -20.22501 28.00790 
1 1 1   -5   28   47 o   39.890   13.311  -4.7725   7.5412  -8.0774   11.189  -2.0215   10.208   38.533   18.504   41.246   19.139 -2.713219 26.62156 
1 1 1   -5   29    1 o   80.432   19.161   18.841   8.2090   0.0000   0.0000   18.841   8.2090  ?   ?    80.432   19.161      ?      ? 
1 1 1   -5   29    2 o  284.896   7.9763  220.766   12.279   0.0000   0.0000  220.766   12.279  ?   ?   284.896   7.9763      ?      ? 
1 1 1   -5   29    3 o   83.382   17.716   20.090   7.7358   0.0000   0.0000   20.090   7.7358  ?   ?    83.382   17.716      ?      ? 
1 1 1   -5   29    4 o  371.364   9.0836  375.896   18.228   0.0000   0.0000  375.896   18.228  ?   ?   371.364   9.0836      ?      ? 
1 1 1   -5   29    5 o  224.487   7.3729  135.969   8.4689  143.311   14.707  132.327   10.359  228.565   11.908  220.408   8.6974 8.156876 14.74577 
1 1 1   -5   29    6 o  231.677   7.8562  143.439   9.3251  158.086   16.305  136.319   11.368  239.816   12.582  223.537   9.4111 16.27892 15.71235 
1 1 1   -5   29    7 o   62.823   15.854   9.5161   6.4777   12.050   11.304   8.2774   7.9042   68.288   24.319   57.359   20.345 10.92929 31.70720 
1 1 1   -5   29    8 o   99.478   15.043   30.082   8.1050   41.756   11.095   16.722   11.869  122.357   16.781   76.600   24.971 45.75639 30.08516 
1 1 1   -5   29    9 o  131.097   11.652   47.820   8.2171   41.909   11.349   54.334   11.913  122.429   17.155  139.766   15.773 -17.33661 23.30446 
1 1 1   -5   29   10 o  123.415   13.122   44.290   8.1527   60.165   11.698   29.296   11.369  147.282   14.698   99.549   21.743 47.73263 26.24478 
1 1 1   -5   29   11 o  250.865   10.909  172.610   14.788   0.0000   0.0000  172.610   14.788  ?   ?   250.865   10.909      ?      ? 
1 1 1   -5   29   12 o   85.535   16.335   21.796   7.6784   21.311   10.191   22.433   11.678   84.596   22.064   86.473   24.094 -1.876595 32.67037 
1 1 1   -5   29   13 o  164.593   9.7523   75.279   8.6468   69.956   12.383   80.345   12.080  158.701   14.439  170.485   13.113 -11.78452 19.50464 
1 1 1   -5   29   14 o  119.883   12.323   40.413   7.9557   40.007   10.797   40.894   11.767  119.413   16.733  120.354   18.094 -0.9404449 24.64508 
1 1 1   -5   29   16 o   41.289   13.622  -9.3303   7.5132 -12.7191   10.465  -5.7257   10.793   38.155   18.206   44.424   20.268 -6.269081 27.24493 
1 1 1   -5   29   17 o  142.839   15.624   57.110   12.059   0.0000   0.0000   57.110   12.059  ?   ?   142.839   15.624      ?      ? 
1 1 1   -5   29   18 o   50.454   15.172   0.8270   7.3989   4.7068   9.9965  -3.8736   11.003   54.386   21.980   46.522   20.919 7.864235 30.34342 
1 1 1   -5   29   19 o  103.922   14.437   33.219   7.8798   47.318   10.979   18.244   11.315  129.791   15.655   78.053   24.262 51.73735 28.87453 
1 1 1   -5   29   20 o  238.426   7.9468  156.918   10.226  147.012   14.337  167.178   14.591  230.645   11.503  246.207   10.967 -15.56165 15.89355 
1 1 1   -5   29   21 o   92.589   16.037   26.031   8.0399   20.399   11.046   32.377   11.725   81.623   23.666  103.554   21.650 -21.93084 32.07451 
1 1 1   -5   29   22 o  120.924   13.208   43.193   8.2023   33.051   11.666   53.107   11.534  104.706   21.344  137.142   15.564 -32.43587 26.41580 
1 1 1   -5   29   23 o   54.810   15.157   1.1775   7.6982   14.423   10.815 -12.4256   10.960   70.384   23.860   39.236   18.698 31.14737 30.31365 
1 1 1   -5   29   24 o  136.445   11.364   52.768   8.3505   47.130   11.490   59.079   12.157  128.543   16.542  144.347   15.586 -15.80441 22.72774 
1 1 1   -5   29   25 o   89.145   14.962   23.399   7.6842   12.157   10.411   36.854   11.389   65.705   23.345  112.584   18.721 -46.87845 29.92429 
1 1 1   -5   29   26 f   58.607   15.935   6.0637   7.6897   14.688   10.988  -2.2134   10.765   70.343   24.050   46.870   20.911 23.47396 31.86930 
1 1 1   -5   29   27 o   93.777   15.957   27.312   7.9849   25.297   10.975   29.578   11.638   90.038   22.595   97.516   22.538 -7.478104 31.91379 
1 1 1   -5   29   28 o  204.238   10.411  121.480   10.906  129.556   13.760  107.838   17.884  215.392   11.822  193.085   17.141 22.30743 20.82245 
1 1 1   -5   29   29 o  119.730   13.275   42.198   8.5862   43.626   12.282   40.832   12.008  121.768   18.666  117.693   18.882 4.075630 26.55050 
1 1 1   -5   29   30 o  130.827   13.242   52.436   8.7441   43.491   13.511   58.883   11.470  118.182   21.965  143.472   14.795 -25.28983 26.48341 
1 1 1   -5   29   31 o  189.819   8.7673  101.628   8.9884  104.632   12.671   98.585   12.753  192.794   12.163  186.845   12.631 5.948761 17.53465 
1 1 1   -5   29   32 o   70.716   16.345   15.543   7.4524   20.757   10.455   10.157   10.626   80.154   22.961   61.279   23.268 18.87462 32.68993 
1 1 1   -5   29   33 o  162.974   9.9703   76.052   8.7673   71.377   12.380   80.754   12.417  157.665   14.531  168.283   13.655 -10.61835 19.94067 
1 1 1   -5   29   34 o  167.456   9.3916   79.844   8.4833   73.814   11.865   86.152   12.134  160.741   13.660  174.173   12.892 -13.43188 18.78329 
1 1 1   -5   29   35 o  111.076   13.727   38.282   7.9713   42.975   11.086   33.259   11.470  120.288   17.055  101.865   21.513 18.42250 27.45339 
1 1 1   -5   29   36 o  103.602   14.472   33.968   7.8120   30.961   10.896   37.149   11.206   98.265   21.147  108.939   19.764 -10.67368 28.94492 
1 1 1   -5   29   37 o  167.203   9.6298   81.252   8.5611   98.531   12.253   64.775   11.966  185.748   12.208  148.659   14.896 37.08908 19.25951 
1 1 1   -5   29   38 o   71.959   17.002   17.964   7.8977   13.978   11.097   22.056   11.242   64.994   23.963   78.924   24.126 -13.93005 34.00468 
1 1 1   -5   29   39 o   63.592   18.943   10.730   10.283   8.4910   20.740   11.460   11.841   65.288   29.084   61.896   24.279 3.391609 37.88593 
1 1 1   -5   29   40 o  296.151   11.676  199.240   16.231  455.405   33.861  122.815   18.495  390.595   16.043  201.707   16.968 188.8875 23.35173 
1 1 1   -5   29   41 o   49.547   16.535  -7.7538   11.412  -4.0248   17.391 -10.5743   15.124   53.065   24.743   46.028   21.942 7.036610 33.07076 
1 1 1   -5   29   42 o   46.605   15.346  -6.8925   8.9840 -16.5712   11.129   11.216   15.222   34.300   16.898   58.910   25.621 -24.60960 30.69173 
1 1 1   -5   29   43 o   47.300   14.876   1.3393   7.7923  -3.5179   10.982   6.2650   11.059   42.516   19.770   52.084   22.233 -9.568394 29.75126 
1 1 1   -5   29   44 o   75.991   16.495   21.996   7.9759   13.246   11.280   30.744   11.279   60.757   23.735   91.224   22.912 -30.46642 32.98932 
1 1 1   -5   29   45 o   47.867   15.011   4.0703   7.7257   6.0607   11.227   2.2803   10.647   50.081   21.887   45.653   20.549 4.428444 30.02171 
1 1 1   -5   30    1 o  146.678   10.702   59.058   8.4822   0.0000   0.0000   59.058   8.4822  ?   ?   146.678   10.702      ?      ? 
1 1 1   -5   30    2 o  162.452   9.6490   72.231   8.4702   0.0000   0.0000   72.231   8.4702  ?   ?   162.452   9.6490      ?      ? 
1 1 1   -5   30    3 o   53.433   19.451   6.9194   7.2784   0.0000   0.0000   6.9194   7.2784  ?   ?    53.433   19.451      ?      ? 
1 1 1   -5   30    4 o  139.438   10.963   53.421   8.2602   0.0000   0.0000   53.421   8.2602  ?   ?   139.438   10.963      ?      ? 
1 1 1   -5   30    5 f  306.777   8.8499  257.100   14.671   0.0000   0.0000  257.100   14.671  ?   ?   306.777   8.8499      ?      ? 
1 1 1   -5   30    6 o  307.474   7.5904  259.266   11.947  260.811   20.489  258.470   14.706  307.367   12.336  307.580   8.8480 -0.2121887 15.18083 
1 1 1   -5   30    7 o  225.833   7.6776  142.166   8.6826  134.549   15.281  145.797   10.551  220.555   12.822  231.110   8.4489 -10.55501 15.35529 
1 1 1   -5   30    8 o  208.195   7.9447  117.704   8.6106  125.090   14.418  113.609   10.735  212.741   12.542  203.648   9.7554 9.092407 15.88931 
1 1 1   -5   30    9 o  207.662   8.2639  118.956   9.2578  120.486   12.781  117.268   13.428  209.200   11.306  206.124   12.055 3.075699 16.52780 
1 1 1   -5   30   10 o  139.166   16.141   54.389   12.138   0.0000   0.0000   54.389   12.138  ?   ?   139.166   16.141      ?      ? 
1 1 1   -5   30   11 o  155.768   10.333   67.829   8.6723   69.248   11.901   66.223   12.663  157.725   13.964  153.811   15.236 3.913223 20.66678 
1 1 1   -5   30   13 o   76.622   16.606   17.514   7.9535   24.020   10.808   9.8304   11.746   88.957   22.477   64.287   24.451 24.66927 33.21191 
1 1 1   -5   30   14 o   76.604   16.034   16.263   7.4941   8.4144   9.9099   26.748   11.453   59.588   22.508   93.620   22.842 -34.03268 32.06824 
1 1 1   -5   30   15 o   88.415   16.149   23.937   7.8620   19.194   11.069   28.766   11.169   79.377   23.868   97.452   21.760 -18.07513 32.29843 
1 1 1   -5   30   16 o   76.782   15.349   15.935   7.4221   5.0664   9.9162   29.780   11.192   54.342   21.916   99.223   21.496 -44.88034 30.69846 
1 1 1   -5   30   17 o   82.565   15.360   21.060   7.7612   32.499   10.578   7.7240   11.422  104.672   19.418   60.458   23.804 44.21405 30.71921 
1 1 1   -5   30   18 o  124.665   12.254   44.351   8.2468   41.861   11.431   47.055   11.910  120.958   17.488  128.372   17.169 -7.414276 24.50717 
1 1 1   -5   30   19 o   88.016   15.675   23.855   7.4191   24.261   9.8977   23.336   11.209   89.328   20.880   86.704   23.386 2.624428 31.35093 
1 1 1   -5   30   20 o   47.428   14.615  -2.1302   7.2667  -8.1260   9.8470   5.0395   10.768   39.478   18.477   55.379   22.651 -15.90106 29.23098 
1 1 1   -5   30   21 o  170.163   9.5210   81.552   8.7313   85.287   12.121   77.523   12.588  174.513   12.854  165.813   14.049 8.699615 19.04191 
1 1 1   -5   30   22 o   56.448   15.190   1.7582   7.6029 -11.1337   10.323   17.041   11.240   38.338   18.235   74.559   24.300 -36.22060 30.38059 
1 1 1   -5   30   23 o  124.821   12.144   45.203   8.1284   48.407   11.138   41.553   11.889  130.173   15.835  119.470   18.416 10.70331 24.28754 
1 1 1   -5   30   24 o  210.533   8.4407  123.872   9.5664  110.436   13.362  138.002   13.703  198.508   12.456  222.558   11.394 -24.04977 16.88147 
1 1 1   -5   30   26 o   52.428   15.494   3.5143   7.4551   6.6345   10.127  -0.1777   11.016   55.865   22.280   48.991   21.538 6.874809 30.98890 
1 1 1   -5   30   27 o  187.198   10.253   98.361   10.083   92.649   12.698  108.108   16.587  181.000   12.983  193.396   15.872 -12.39647 20.50567 
1 1 1   -5   30   28 o  107.469   15.565   36.507   8.7005   36.036   12.930   36.897   11.761  105.955   23.225  108.984   20.729 -3.029221 31.12999 
1 1 1   -5   30   29 o   81.575   17.089   21.749   8.3174   27.815   11.725   15.605   11.800   92.489   23.433   70.661   24.881 21.82803 34.17844 
1 1 1   -5   30   30 o  161.022   10.357   74.504   8.8498   57.763   12.190   93.163   12.869  140.949   16.004  181.096   13.151 -40.14635 20.71427 
1 1 1   -5   30   31 o  124.819   12.672   46.321   8.1643   35.323   11.074   59.416   12.084  106.717   19.937  142.922   15.646 -36.20504 25.34362 
1 1 1   -5   30   32 o  116.249   12.726   40.507   7.9824   39.357   10.946   41.814   11.667  114.705   17.659  117.793   18.329 -3.087555 25.45184 
1 1 1   -5   30   33 o   74.891   15.029   15.949   8.0740   33.799   11.420  -1.8885   11.416  102.693   21.280   47.089   21.229 55.60401 30.05798 
1 1 1   -5   30   34 o   62.335   16.359   10.447   7.8077   18.419   11.264   3.0748   10.832   73.805   24.339   50.865   21.866 22.93950 32.71855 
1 1 1   -5   30   35 o   64.882   16.528   13.216   7.6867   7.4711   10.613   19.555   11.148   55.202   22.523   74.562   24.196 -19.36003 33.05587 
1 1 1   -5   30   36 o   52.952   17.615 -10.0929   10.022   14.459   21.795 -16.6760   11.286   70.064   30.561   35.840   17.525 34.22414 35.22970 
1 1 1   -5   30   37 o   54.473   17.578  -2.3797   11.993 -20.1982   20.800   6.4955   14.679   50.044   24.319   58.901   25.388 -8.856724 35.15630 
1 1 1   -5   30   38 f   69.535   19.703   14.501   12.377  -0.9860   19.385   25.158   16.081   57.870   26.684   81.201   28.996 -23.33092 39.40557 
1 1 1   -5   30   39 o   74.078   19.025   21.219   9.5033   17.998   11.816   27.117   15.991   68.948   24.831   79.208   28.831 -10.26022 38.05026 
1 1 1   -5   30   40 o   39.797   13.294  -6.7429   7.7166  -0.3974   10.538 -14.0804   11.331   43.742   19.984   35.851   17.537 7.891235 26.58805 
1 1 1   -5   30   41 f   60.062   16.610   11.724   7.9695   7.3201   11.031   16.533   11.527   53.542   22.499   66.583   24.442 -13.04048 33.22043 
1 1 1   -5   30   42 o   74.262   17.046   22.255   7.9138   24.929   11.004   19.391   11.389   79.457   23.778   69.066   24.430 10.39104 34.09110 
1 1 1   -5   31    1 f   84.879   17.649   21.223   7.8309   0.0000   0.0000   21.223   7.8309  ?   ?    84.879   17.649      ?      ? 
1 1 1   -5   31    2 o   65.390   19.889   12.566   7.6537   0.0000   0.0000   12.566   7.6537  ?   ?    65.390   19.889      ?      ? 
1 1 1   -5   31    3 o  149.593   10.642   61.710   8.6026   0.0000   0.0000   61.710   8.6026  ?   ?   149.593   10.642      ?      ? 
1 1 1   -5   31    4 o  123.408   12.293   42.286   8.1974   0.0000   0.0000   42.286   8.1974  ?   ?   123.408   12.293      ?      ? 
1 1 1   -5   31    5 o  167.089   9.5763   76.706   8.6464   0.0000   0.0000   76.706   8.6464  ?   ?   167.089   9.5763      ?      ? 
1 1 1   -5   31    6 o  112.367   12.966   35.176   7.8731   0.0000   0.0000   35.176   7.8731  ?   ?   112.367   12.966      ?      ? 
1 1 1   -5   31    7 o   93.091   14.359   24.224   6.8767   35.135   11.513   18.172   8.5742  108.503   20.385   77.679   20.228 30.82456 28.71730 
1 1 1   -5   31    8 o  184.496   8.9187   92.807   8.4578  100.901   14.629   88.744   10.366  189.667   14.274  179.324   10.697 10.34315 17.83745 
1 1 1   -5   31    9 o  105.800   12.802   30.665   6.7681   38.559   12.088   27.060   8.1686  113.705   20.424   97.896   15.442 15.80911 25.60418 
1 1 1   -5   31   10 o  148.347   10.288   61.614   8.1900   59.728   10.890   64.070   12.425  146.035   13.801  150.659   15.263 -4.623260 20.57682 
1 1 1   -5   31   11 o   95.438   15.985   28.066   8.1211   29.652   11.256   26.344   11.728   98.689   21.698   92.188   23.480 6.501282 31.97049 
1 1 1   -5   31   12 o  144.536   10.802   59.210   8.3702   60.011   11.218   58.203   12.572  146.080   14.211  142.992   16.271 3.087112 21.60318 
1 1 1   -5   31   14 o  159.428   10.050   71.283   8.6027   68.332   11.442   75.121   13.047  155.945   13.579  162.910   14.821 -6.965683 20.10077 
1 1 1   -5   31   15 o   60.795   23.114   9.1489   10.494   9.1489   10.494   0.0000   0.0000   60.795   23.114  ?   ?       ?      ? 
1 1 1   -5   31   16 o  203.902   12.866  116.475   14.176   0.0000   0.0000  116.475   14.176  ?   ?   203.902   12.866      ?      ? 
1 1 1   -5   31   17 o  150.151   10.682   64.885   8.5351   72.372   11.629   56.141   12.567  160.444   13.413  139.857   16.628 20.58717 21.36363 
1 1 1   -5   31   18 o  194.724   12.988  106.435   13.666   0.0000   0.0000  106.435   13.666  ?   ?   194.724   12.988      ?      ? 
1 1 1   -5   31   19 o   99.041   15.350   30.245   8.0035   25.505   10.994   35.590   11.674   90.134   22.610  107.948   20.768 -17.81406 30.70049 
1 1 1   -5   31   20 o   99.547   15.265   30.811   7.9749   32.221   11.160   29.340   11.401  102.325   20.890   96.769   22.265 5.555527 30.53056 
1 1 1   -5   31   21 o   79.103   24.412   20.016   11.479   0.0000   0.0000   20.016   11.479  ?   ?    79.103   24.412      ?      ? 
1 1 1   -5   31   22 o  187.115   12.386   98.518   12.523   98.518   12.523   0.0000   0.0000  187.115   12.386  ?   ?       ?      ? 
1 1 1   -5   31   23 o   57.596   16.274   7.3251   7.6637   8.3522   10.372   6.0901   11.373   58.504   22.786   56.688   23.243 1.816589 32.54893 
1 1 1   -5   31   24 o   66.707   15.855   12.692   7.4362   21.062   10.345   3.7408   10.697   80.903   22.725   52.512   22.116 28.39050 31.71000 
1 1 1   -5   31   25 o   82.326   16.897   22.233   7.9374   22.977   10.496   21.238   12.131   84.435   22.570   80.218   25.153 4.217148 33.79435 
1 1 1   -5   31   26 o   76.933   16.006   19.122   8.8713   32.051   11.276  -1.8741   14.370  100.900   21.348   52.966   23.853 47.93427 32.01140 
1 1 1   -5   31   27 o   50.953   15.454  -0.1475   8.1727   8.7703   11.408  -9.5501   11.714   59.914   23.726   41.993   19.809 17.92109 30.90812 
1 1 1   -5   31   28 o  102.972   15.574   33.337   8.8034   51.667   13.206   18.674   11.811  130.885   18.671   75.059   24.931 55.82605 31.14779 
1 1 1   -5   31   29 o   53.319   15.160   0.2985   7.7874 -12.9005   10.619   15.653   11.454   37.036   17.847   69.602   24.512 -32.56556 30.32067 
1 1 1   -5   31   30 o  104.773   15.059   35.094   8.2121   33.745   11.130   36.706   12.166  102.946   20.725  106.601   21.854 -3.654984 30.11882 
1 1 1   -5   31   31 o  168.790   9.8953   82.518   8.9740   71.346   12.277   95.334   13.150  156.086   14.556  181.495   13.408 -25.40875 19.79062 
1 1 1   -5   31   32 o  141.364   11.407   60.057   8.5651   47.232   11.756   74.567   12.505  123.964   17.549  158.764   14.576 -34.80032 22.81306 
1 1 1   -5   31   33 o   59.385   17.716   6.0791   11.157 -30.2928   23.850   16.269   12.623   49.775   24.563   68.994   25.534 -19.21897 35.43110 
1 1 1   -5   31   34 o   79.169   18.600   13.895   13.299 -25.9685   19.652   47.568   18.062   46.280   22.732  112.057   29.445 -65.77677 37.19899 
1 1 1   -5   31   35 o   51.383   16.950  -8.4310   12.251 -27.9730   19.946   3.4054   15.523   45.875   22.605   56.890   25.263 -11.01498 33.89983 
1 1 1   -5   31   36 o   47.624   15.589  -2.1384   9.2472   0.5607   11.262  -7.7230   16.200   47.084   21.169   48.163   22.889 -1.079437 31.17742 
1 1 1   -5   31   37 o   78.771   17.105   24.948   8.1177   28.441   11.216   21.107   11.763   85.841   23.496   71.701   24.866 14.14031 34.21056 
1 1 1   -5   31   38 o   43.336   14.150  -3.1274   7.7769  -6.7049   10.701   0.8778   11.322   39.711   18.794   46.961   21.159 -7.249943 28.30018 
1 1 1   -5   31   39 o   52.934   15.677   5.8504   7.9449  -1.9486   10.916   14.636   11.586   43.289   19.982   62.579   24.162 -19.28988 31.35463 
1 1 1   -5   31   40 o   57.180   16.360   11.653   8.1129   16.418   11.173   6.3390   11.800   63.494   23.918   50.865   22.329 12.62871 32.72094 
1 1 1   -5   32    1 o  248.875   9.1261  170.442   12.273   0.0000   0.0000  170.442   12.273  ?   ?   248.875   9.1261      ?      ? 
1 1 1   -5   32    2 o  174.851   9.2839   84.184   8.7718   0.0000   0.0000   84.184   8.7718  ?   ?   174.851   9.2839      ?      ? 
1 1 1   -5   32    3 o  170.014   9.3689   79.620   8.6072   0.0000   0.0000   79.620   8.6072  ?   ?   170.014   9.3689      ?      ? 
1 1 1   -5   32    4 o  121.857   12.702   41.561   8.3640   0.0000   0.0000   41.561   8.3640  ?   ?   121.857   12.702      ?      ? 
1 1 1   -5   32    5 o   54.839   19.966   7.7746   7.6688   0.0000   0.0000   7.7746   7.6688  ?   ?    54.839   19.966      ?      ? 
1 1 1   -5   32    6 o  160.501   10.582   71.341   9.1778   0.0000   0.0000   71.341   9.1778  ?   ?   160.501   10.582      ?      ? 
1 1 1   -5   32    7 o  137.924   11.390   52.892   8.4886   0.0000   0.0000   52.892   8.4886  ?   ?   137.924   11.390      ?      ? 
1 1 1   -5   32    8 o   76.379   15.577   17.350   6.5722   20.881   11.023   15.403   8.1864   81.600   23.636   71.159   20.296 10.44093 31.15431 
1 1 1   -5   32    9 o  161.350   9.1675   72.454   7.7053   75.248   12.798   70.865   9.6504  163.008   14.529  159.692   11.183 3.316483 18.33503 
1 1 1   -5   32   10 o  124.281   11.671   42.133   7.5501   52.995   12.968   36.562   9.2863  135.210   17.749  113.353   15.161 21.85738 23.34244 
1 1 1   -5   32   11 o  206.490   12.537  119.489   13.989   0.0000   0.0000  119.489   13.989  ?   ?   206.490   12.537      ?      ? 
1 1 1   -5   32   12 o   99.604   15.264   30.282   8.1967   22.175   11.285   39.337   11.926   83.558   23.828  115.649   19.083 -32.09074 30.52776 
1 1 1   -5   32   13 o   49.472   14.762  -0.3579   7.5477   8.5514   9.9072 -12.6817   11.652   58.707   22.425   40.237   19.203 18.47000 29.52370 
1 1 1   -5   32   14 o  116.900   13.824   40.252   8.2447   26.402   10.949   58.392   12.530   91.556   22.330  142.244   16.301 -50.68861 27.64743 
1 1 1   -5   32   15 o   90.744   16.666   26.646   8.3264   30.473   11.395   22.261   12.196   98.609   21.950   82.878   25.084 15.73035 33.33216 
1 1 1   -5   32   16 o   70.814   16.493   15.170   7.8696   22.209   10.710   6.9115   11.602   83.382   23.016   58.246   23.630 25.13557 32.98674 
1 1 1   -5   32   17 o   46.503   14.211  -3.6206   7.4462   7.5856   10.012 -17.4909   11.139   56.947   22.329   36.059   17.584 20.88759 28.42171 
1 1 1   -5   32   18 o  110.311   13.903   36.868   8.0898   33.094   11.241   40.923   11.652  103.076   20.896  117.547   18.344 -14.47042 27.80597 
1 1 1   -5   32   19 o  158.294   10.160   71.822   8.6901   71.785   12.215   71.860   12.366  158.309   14.279  158.278   14.458 0.3128052E-01 20.32049 
1 1 1   -5   32   20 f   62.281   16.462   10.393   7.5254   6.9540   10.205   14.492   11.141   55.963   22.352   68.598   24.173 -12.63489 32.92346 
1 1 1   -5   32   21 o  173.901   9.7491   85.856   9.1224   81.450   12.242   91.358   13.680  169.175   13.391  178.628   14.173 -9.452438 19.49822 
1 1 1   -5   32   22 o  166.621   10.170   80.479   9.0016   95.610   12.654   64.981   12.807  183.691   12.749  149.552   15.848 34.13907 20.33946 
1 1 1   -5   32   23 o   77.534   16.043   19.740   7.8540   28.295   10.568   9.1845   11.738   94.393   21.233   60.675   24.054 33.71741 32.08514 
1 1 1   -5   32   24 o   71.970   17.059   16.760   8.3249   23.186   11.220   8.8889   12.418   83.377   23.753   60.562   24.490 22.81532 34.11721 
1 1 1   -5   32   25 o  112.198   16.128   39.909   9.1272   38.151   11.191   43.401   15.772  112.312   18.440  112.084   26.465 0.2281265 32.25621 
1 1 1   -5   32   26 o   79.671   17.668   21.634   8.4622   21.495   11.802   21.780   12.140   79.516   24.788   79.826   25.182 -0.3102722 35.33514 
1 1 1   -5   32   27 o   55.101   16.254   5.3432   8.3146  -0.3937   12.149   10.398   11.404   49.359   22.104   60.843   23.838 -11.48318 32.50878 
1 1 1   -5   32   28 o   56.052   16.051   6.0924   7.9695  -1.3842   10.886   14.728   11.699   45.662   20.644   66.443   24.583 -20.78043 32.10180 
1 1 1   -5   32   29 o   66.175   17.007   14.032   8.2857   7.0383   11.758   20.931   11.678   55.806   23.325   76.544   24.756 -20.73873 34.01376 
1 1 1   -5   32   30 o   68.209   20.951   9.4114   14.079   24.820   22.969   0.1386   17.818   79.478   32.857   56.939   26.003 22.53906 41.90182 
1 1 1   -5   32   31 o   57.547   18.919  -3.6828   14.104   1.4669   21.179  -7.7860   18.905   61.506   28.187   53.587   25.244 7.919632 37.83818 
1 1 1   -5   32   32 o   52.129   17.528 -10.5817   13.330  -3.3536   20.069 -16.2883   17.832   56.869   26.538   47.390   22.907 9.478779 35.05691 
1 1 1   -5   32   33 o   68.018   18.675   17.898   9.6235   18.670   11.436   16.025   17.815   70.084   24.505   65.952   28.187 4.132057 37.34990 
1 1 1   -5   32   34 o   67.037   16.422   17.207   8.0120   25.530   10.987   7.7536   11.709   80.881   23.646   53.193   22.796 27.68755 32.84491 
1 1 1   -5   32   35 o   58.062   16.014   8.5507   7.7550   0.0913   10.280   19.725   11.814   44.631   20.130   71.493   24.913 -26.86235 32.02899 
1 1 1   -5   32   36 o   44.005   14.342  -1.6704   7.8573  -2.1957   10.540  -1.0133   11.789   42.542   19.637   45.469   20.908 -2.926483 28.68335 
1 1 1   -5   32   37 o   42.809   14.097  -2.0291   7.8917  -2.9118   10.622  -0.9413   11.791   41.189   19.249   44.429   20.599 -3.239441 28.19352 
1 1 1   -5   33    1 o   51.746   19.594   6.4872   7.5223   0.0000   0.0000   6.4872   7.5223  ?   ?    51.746   19.594      ?      ? 
1 1 1   -5   33    2 o   99.990   14.711   28.572   7.9487   0.0000   0.0000   28.572   7.9487  ?   ?    99.990   14.711      ?      ? 
1 1 1   -5   33    3 o   85.875   17.746   22.236   7.9628   0.0000   0.0000   22.236   7.9628  ?   ?    85.875   17.746      ?      ? 
1 1 1   -5   33    4 f  131.701   11.725   48.597   8.3440   0.0000   0.0000   48.597   8.3440  ?   ?   131.701   11.725      ?      ? 
1 1 1   -5   33    5 o   81.440   18.503   20.227   7.9577   0.0000   0.0000   20.227   7.9577  ?   ?    81.440   18.503      ?      ? 
1 1 1   -5   33    6 o   56.582   20.040   8.9336   7.6657   0.0000   0.0000   8.9336   7.6657  ?   ?    56.582   20.040      ?      ? 
1 1 1   -5   33    7 o  194.986   9.1205  105.082   9.6098   0.0000   0.0000  105.082   9.6098  ?   ?   194.986   9.1205      ?      ? 
1 1 1   -5   33    8 o   68.051   20.967   14.324   8.4717   0.0000   0.0000   14.324   8.4717  ?   ?    68.051   20.967      ?      ? 
1 1 1   -5   33    9 f  158.540   10.283   76.049   8.0495   59.820   13.585   84.830   9.9926  142.645   17.624  174.434   10.601 -31.78871 20.56698 
1 1 1   -5   33   10 o  136.052   10.085   50.593   7.1255   61.689   12.270   44.946   8.7527  146.095   15.543  126.008   12.854 20.08730 20.16948 
1 1 1   -5   33   11 o   90.615   15.491   23.743   7.2294   35.698   12.705   18.019   8.7913  105.610   22.922   75.620   20.844 29.99048 30.98173 
1 1 1   -5   33   12 o  114.645   13.600   40.233   8.1018   43.694   10.953   36.051   12.039  122.271   16.578  107.018   21.564 15.25323 27.19962 
1 1 1   -5   33   13 o   46.887   14.788  -1.3040   7.5746  -0.6666   10.128  -2.1132   11.411   46.323   20.495   47.452   21.323 -1.129059 29.57620 
1 1 1   -5   33   15 o  141.215   16.174   58.066   12.342   0.0000   0.0000   58.066   12.342  ?   ?   141.215   16.174      ?      ? 
1 1 1   -5   33   16 o   70.782   17.328   15.779   8.0728   16.556   10.809   14.800   12.139   72.085   23.846   69.479   25.146 2.606087 34.65527 
1 1 1   -5   33   17 o   65.224   16.329   12.055   7.8952   19.567   10.610   2.7347   11.818   77.506   23.383   52.943   22.800 24.56289 32.65845 
1 1 1   -5   33   18 o   38.781   12.999  -9.7981   7.3599  -6.3665   9.9644 -13.9178   10.918   40.333   18.780   37.229   17.979 3.104015 25.99883 
1 1 1   -5   33   19 o   62.213   14.193   0.7606   7.7476 -20.5783   10.330   28.204   11.714   32.283   15.974   92.144   23.464 -59.86106 28.38526 
1 1 1   -5   33   20 o   41.267   13.684  -7.4999   7.6012  -8.4607   10.065  -6.2247   11.596   38.765   18.310   43.769   20.340 -5.003410 27.36706 
1 1 1   -5   33   21 o  151.853   10.825   68.117   8.7600   73.251   11.805   61.825   13.068  159.442   13.702  144.264   16.763 15.17857 21.65060 
1 1 1   -5   33   22 o   66.637   16.973   13.941   8.0584   18.401   11.075   8.9236   11.748   73.923   24.122   59.351   23.883 14.57202 33.94532 
1 1 1   -5   33   23 o  159.534   15.766   75.878   13.591   0.0000   0.0000   75.878   13.591  ?   ?   159.534   15.766      ?      ? 
1 1 1   -5   33   24 o   61.962   17.265   11.741   8.6210   14.625   10.514   5.8243   15.060   65.974   23.458   57.950   25.337 8.024639 34.52915 
1 1 1   -5   33   25 o   48.785   15.134  -3.4625   8.5206   10.507   12.061 -17.3806   12.039   60.554   24.259   37.016   18.101 23.53724 30.26733 
1 1 1   -5   33   26 o   86.474   26.846   27.494   13.858   0.0000   0.0000   27.494   13.858  ?   ?    86.474   26.846      ?      ? 
1 1 1   -5   33   27 o   90.171   22.918   30.810   15.311   52.748   23.041   13.464   20.489  110.734   34.655   69.609   29.998 41.12551 45.83509 
1 1 1   -5   33   28 o  110.104   21.072   48.958   15.431   17.809   22.107   78.559   21.550   73.243   31.354  146.964   28.161 -73.72015 42.14386 
1 1 1   -5   33   29 o   55.933   18.566  -3.7918   14.555 -15.2770   21.095   6.6441   20.108   50.657   24.588   61.210   27.825 -10.55274 37.13259 
1 1 1   -5   33   30 f   45.867   14.845  -0.1894   8.3702   3.1534   11.273  -4.2966   12.496   48.092   21.431   43.642   20.548 4.449566 29.69060 
1 1 1   -5   33   31 o   45.879   14.609  -3.0938   8.1842 -14.6760   11.380   9.3140   11.779   35.920   17.572   55.838   23.343 -19.91810 29.21715 
1 1 1   -5   33   32 o   55.329   15.609   5.3973   7.8256  -5.4117   10.483   19.001   11.761   40.276   18.918   70.381   24.833 -30.10419 31.21817 
1 1 1   -5   33   33 o   42.654   13.999  -3.0832   7.8952   1.5904   10.592  -8.9257   11.843   45.682   20.535   39.626   19.031 6.056091 27.99754 
1 1 1   -5   33   34 o   79.471   16.475   24.834   8.2032   13.947   11.135   37.756   12.131   59.815   23.518   99.128   23.078 -39.31257 32.95029 
1 1 1   -5   34    1 o   68.042   19.837   14.391   7.7420   0.0000   0.0000   14.391   7.7420  ?   ?    68.042   19.837      ?      ? 
1 1 1   -5   34    2 o   96.515   15.177   26.906   7.9153   0.0000   0.0000   26.906   7.9153  ?   ?    96.515   15.177      ?      ? 
1 1 1   -5   34    3 o  188.242   9.4949   98.334   9.6581   0.0000   0.0000   98.334   9.6581  ?   ?   188.242   9.4949      ?      ? 
1 1 1   -5   34    4 o   53.357   20.301   7.1255   8.0994   0.0000   0.0000   7.1255   8.0994  ?   ?    53.357   20.301      ?      ? 
1 1 1   -5   34    5 o  118.881   13.407   40.271   8.6128   0.0000   0.0000   40.271   8.6128  ?   ?   118.881   13.407      ?      ? 
1 1 1   -5   34    6 o   79.953   18.363   19.683   7.7662   0.0000   0.0000   19.683   7.7662  ?   ?    79.953   18.363      ?      ? 
1 1 1   -5   34    7 o   67.800   20.360   14.394   8.0577   0.0000   0.0000   14.394   8.0577  ?   ?    67.800   20.360      ?      ? 
1 1 1   -5   34    8 o   40.599   17.883  -0.5891   7.6272   0.0000   0.0000  -0.5891   7.6272  ?   ?    40.599   17.883      ?      ? 
1 1 1   -5   34    9 o   59.168   20.690   10.364   8.1524   0.0000   0.0000   10.364   8.1524  ?   ?    59.168   20.690      ?      ? 
1 1 1   -5   34   10 o   72.741   16.031   16.037   6.9279   23.356   11.276   11.599   8.7806   83.682   23.803   61.800   21.480 21.88182 32.06246 
1 1 1   -5   34   11 o  144.532   10.103   58.922   7.4793   65.248   13.044   55.824   9.1290  148.790   16.224  140.274   12.044 8.516434 20.20574 
1 1 1   -5   34   12 o   70.757   16.906   15.937   7.4117   17.883   12.654   14.921   9.1444   73.324   25.770   68.190   21.892 5.133400 33.81299 
1 1 1   -5   34   13 o   61.135   17.018   10.010   8.2506   9.5198   11.455   10.538   11.893   60.235   23.800   62.034   24.333 -1.799690 34.03692 
1 1 1   -5   34   14 o   64.105   16.290   11.195   8.1861   20.612   10.953  -0.7223   12.321   78.448   23.778   49.762   22.274 28.68629 32.58078 
1 1 1   -5   34   15 o   54.286   16.090   3.9801   7.9847  -0.7066   10.450   10.554   12.377   46.286   20.630   62.285   24.698 -15.99928 32.18045 
1 1 1   -5   34   16 o   61.786   15.142   2.3711   7.9303 -14.4106   10.270   27.154   12.481   35.150   17.083   88.422   25.005 -53.27221 30.28308 
1 1 1   -5   34   17 o   60.861   15.466   4.1392   7.9970 -11.1186   10.502   25.195   12.337   37.481   17.980   84.242   25.169 -46.76102 30.93134 
1 1 1   -5   34   18 o   53.422   16.041   5.1899   8.0004   3.8635   10.613   6.9353   12.175   50.652   21.705   56.192   23.626 -5.540325 32.08295 
1 1 1   -5   34   19 o   75.028   16.649   18.126   8.0275   9.0231   10.582   30.468   12.321   57.194   22.786   92.863   24.280 -35.66913 33.29755 
1 1 1   -5   34   20 o  105.268   15.843   37.535   8.6603   39.525   11.450   34.874   13.240  110.958   19.823   99.578   24.720 11.38030 31.68665 
1 1 1   -5   34   21 o   45.956   14.754  -5.0080   8.1711 -13.0285   10.932   5.1446   12.300   37.213   17.976   54.699   23.401 -17.48552 29.50773 
1 1 1   -5   34   22 o   71.870   21.277   3.8389   14.991   41.194   24.506 -18.4977   18.950   95.397   35.524   48.343   23.428 47.05424 42.55329 
1 1 1   -5   34   23 o   76.490   32.365   20.921   23.082   20.921   23.082   0.0000   0.0000   76.490   32.365  ?   ?       ?      ? 
1 1 1   -5   34   24 o   58.148   26.580   1.7615   18.672   0.0000   0.0000   1.7615   18.672  ?   ?    58.148   26.580      ?      ? 
1 1 1   -5   34   25 o   73.855   30.355   24.640   19.456   0.0000   0.0000   24.640   19.456  ?   ?    73.855   30.355      ?      ? 
1 1 1   -5   34   26 o   65.461   19.101   15.229   9.6369   10.977   11.074   28.491   19.559   56.764   23.066   74.158   30.453 -17.39399 38.20206 
1 1 1   -5   34   27 f   62.530   17.130   14.027   8.5554   19.099   11.801   8.4076   12.421   69.727   24.846   55.334   23.590 14.39216 34.26090 
1 1 1   -5   34   28 o   48.898   15.400   1.7712   8.2488  -2.1829   11.170   6.5143   12.234   44.071   20.297   53.725   23.166 -9.653305 30.80029 
1 1 1   -5   34   29 o   59.091   16.806   11.295   8.3914   5.6621   11.336   18.123   12.480   50.998   22.145   67.184   25.285 -16.18544 33.61153 
1 1 1   -5   34   30 o   84.348   17.518   29.017   8.5553   24.286   11.553   34.762   12.731   76.353   24.616   92.343   24.930 -15.99040 35.03546 
1 1 1   -5   35    1 o   87.421   17.923   23.777   8.1824   0.0000   0.0000   23.777   8.1824  ?   ?    87.421   17.923      ?      ? 
1 1 1   -5   35    2 o   46.127   19.256   3.2461   7.9989   0.0000   0.0000   3.2461   7.9989  ?   ?    46.127   19.256      ?      ? 
1 1 1   -5   35    3 o  107.360   14.997   33.857   8.7003   0.0000   0.0000   33.857   8.7003  ?   ?   107.360   14.997      ?      ? 
1 1 1   -5   35    4 f  114.944   13.858   38.396   8.6078   0.0000   0.0000   38.396   8.6078  ?   ?   114.944   13.858      ?      ? 
1 1 1   -5   35    5 o   36.297   16.794  -4.3876   7.7767   0.0000   0.0000  -4.3876   7.7767  ?   ?    36.297   16.794      ?      ? 
1 1 1   -5   35    6 o  106.354   14.819   33.330   8.5163   0.0000   0.0000   33.330   8.5163  ?   ?   106.354   14.819      ?      ? 
1 1 1   -5   35    7 o   66.270   20.893   14.419   8.3582   0.0000   0.0000   14.419   8.3582  ?   ?    66.270   20.893      ?      ? 
1 1 1   -5   35    8 o   75.895   19.083   18.637   7.8179   0.0000   0.0000   18.637   7.8179  ?   ?    75.895   19.083      ?      ? 
1 1 1   -5   35    9 o   94.906   15.190   26.833   7.7899   0.0000   0.0000   26.833   7.7899  ?   ?    94.906   15.190      ?      ? 
1 1 1   -5   35   10 f   46.201   19.729   2.7828   8.7144   0.0000   0.0000   2.7828   8.7144  ?   ?    46.201   19.729      ?      ? 
1 1 1   -5   35   11 o   49.847   14.639   3.7158   7.0367  -5.7297   11.299   9.6997   8.9935   42.671   19.912   57.022   21.464 -14.35077 29.27777 
1 1 1   -5   35   12 o  163.006   9.9219   74.275   8.4513   93.221   14.354   64.222   10.456  177.245   14.987  148.768   13.007 28.47682 19.84370 
1 1 1   -5   35   13 o   68.791   15.031   10.541   7.9691   31.847   11.916  -6.7010   10.719   96.624   23.129   40.957   19.204 55.66685 30.06218 
1 1 1   -5   35   17 o  326.760   20.807  340.315   36.738  340.315   36.738   0.0000   0.0000  326.760   20.807  ?   ?       ?      ? 
1 1 1   -5   35   18 o   55.865   18.795  -8.0733   14.877  -3.0878   24.456 -11.0022   18.745   60.755   28.648   50.975   24.336 9.780079 37.58910 
1 1 1   -5   35   19 o   51.633   17.739 -15.2977   14.655  -2.8806   24.070 -22.6126   18.474   58.701   27.898   44.564   21.920 14.13626 35.47898 
1 1 1   -5   35   20 o   52.408   18.028 -12.2827   14.665   10.173   25.085 -23.9414   18.075   62.488   29.324   42.329   20.978 20.15959 36.05505 
1 1 1   -5   35   21 o   56.051   18.854   0.4995   14.751   14.894   24.534  -7.6509   18.461   63.400   29.504   48.701   23.483 14.69934 37.70867 
1 1 1   -5   35   22 o  109.804   18.686   48.922   10.906   51.078   13.349   44.595   18.909  123.038   20.079   96.569   31.520 26.46879 37.37227 
1 1 1   -5   35   23 o   69.770   15.636   14.332   8.6035   33.832   12.210  -4.8960   12.125   95.995   23.685   43.546   20.420 52.44833 31.27165 
1 1 1   -5   35   24 o   65.303   16.403   13.008   8.8762  -3.5473   12.750   28.578   12.365   45.172   21.104   85.433   25.116 -40.26113 32.80526 
1 1 1   -5   35   25 o   72.761   17.761   22.190   8.5397   23.781   11.601   20.309   12.617   76.216   24.677   69.306   25.551 6.909264 35.52250 
1 1 1   -5   35   26 o   52.749   15.398   1.8772   8.2215 -13.0230   10.877   21.732   12.556   35.114   17.178   70.384   25.559 -35.26950 30.79536 
1 1 1   -5   36    1 o  112.643   17.718   38.663   10.785   0.0000   0.0000   38.663   10.785  ?   ?   112.643   17.718      ?      ? 
1 1 1   -5   36    2 o   67.290   20.720   14.775   8.2746   0.0000   0.0000   14.775   8.2746  ?   ?    67.290   20.720      ?      ? 
1 1 1   -5   36    3 o   71.805   22.311   17.278   9.5697   0.0000   0.0000   17.278   9.5697  ?   ?    71.805   22.311      ?      ? 
1 1 1   -5   36    4 o   77.121   20.605   19.527   8.7501   0.0000   0.0000   19.527   8.7501  ?   ?    77.121   20.605      ?      ? 
1 1 1   -5   36    5 o   81.279   20.259   21.555   8.8661   0.0000   0.0000   21.555   8.8661  ?   ?    81.279   20.259      ?      ? 
1 1 1   -5   36    6 o   38.490   17.639  -3.3781   8.2954   0.0000   0.0000  -3.3781   8.2954  ?   ?    38.490   17.639      ?      ? 
1 1 1   -5   36    7 o   82.111   19.692   21.898   8.6249   0.0000   0.0000   21.898   8.6249  ?   ?    82.111   19.692      ?      ? 
1 1 1   -5   36    8 o   64.408   21.127   13.666   8.4909   0.0000   0.0000   13.666   8.4909  ?   ?    64.408   21.127      ?      ? 
1 1 1   -5   36    9 o   52.394   20.387   7.4593   8.2973   0.0000   0.0000   7.4593   8.2973  ?   ?    52.394   20.387      ?      ? 
1 1 1   -5   36   10 o   65.696   23.156   15.025   10.224   0.0000   0.0000   15.025   10.224  ?   ?    65.696   23.156      ?      ? 
1 1 1   -5   36   11 o   50.810   21.367   5.8879   9.9614   0.0000   0.0000   5.8879   9.9614  ?   ?    50.810   21.367      ?      ? 
1 1 1   -5   36   12 o  134.527   15.132   55.930   11.000   0.0000   0.0000   55.930   11.000  ?   ?   134.527   15.132      ?      ? 
1 1 1   -5   36   13 o   35.671   17.658 -19.6465   12.667   0.0000   0.0000 -19.6465   12.667  ?   ?    35.671   17.658      ?      ? 
1 1 1   -5   36   14 o   47.690   21.347   2.7819   11.319   0.0000   0.0000   2.7819   11.319  ?   ?    47.690   21.347      ?      ? 
1 1 1   -5   36   15 f   48.676   23.777 -14.4887   20.609   0.0000   0.0000 -14.4887   20.609  ?   ?    48.676   23.777      ?      ? 
1 1 1   -5   36   16 o   63.601   20.618   5.7728   16.632   29.144   24.514 -14.1622   22.641   75.742   32.727   51.459   25.089 24.28253 41.23694 
1 1 1   -5   36   17 f  138.195   17.511   57.781   10.676   48.170   11.910   97.072   24.082  122.588   17.980  153.803   30.054 -31.21528 35.02142 
1 1 1   -5   36   18 o   56.614   16.688   8.6670   8.7156   2.6141   12.077   15.246   12.590   49.282   22.056   63.946   25.049 -14.66460 33.37550 
1 1 1   -5   36   19 o   50.635   15.608   3.6569   8.5122   12.450   11.939  -5.4357   12.140   58.987   23.957   42.284   20.013 16.70281 31.21642 
1 1 1   -5   36   20 o   43.627   14.244  -1.3441   7.9735   2.5724   10.802  -6.0327   11.819   46.321   20.786   40.932   19.481 5.388721 28.48804 
1 1 1   -5   36   21 o   75.232   17.966   25.910   9.3880   30.960   11.834   17.336   15.421   87.448   24.215   63.017   26.547 24.43157 35.93224 
1 1 1   -5   37    1 o   44.087   20.298  -2.1387   11.159   0.0000   0.0000  -2.1387   11.159  ?   ?    44.087   20.298      ?      ? 
1 1 1   -5   37    2 o   53.206   22.542   6.8997   11.220   0.0000   0.0000   6.8997   11.220  ?   ?    53.206   22.542      ?      ? 
1 1 1   -5   37    3 o   60.384   24.142   12.249   11.919   0.0000   0.0000   12.249   11.919  ?   ?    60.384   24.142      ?      ? 
1 1 1   -5   37    4 o   37.701   18.382 -14.6462   12.161   0.0000   0.0000 -14.6462   12.161  ?   ?    37.701   18.382      ?      ? 
1 1 1   -5   37    5 o   45.434   21.200  -3.7198   12.806   0.0000   0.0000  -3.7198   12.806  ?   ?    45.434   21.200      ?      ? 
1 1 1   -5   37   12 o  105.541   29.888   52.320   17.819   0.0000   0.0000   52.320   17.819  ?   ?   105.541   29.888      ?      ? 
1 1 1   -5   37   13 o   62.141   18.234   15.917   10.075   12.144   13.717   20.338   14.848   57.713   24.702   66.568   26.828 -8.855053 36.46800 
1 1 1   -4    0    1 o  1116.97   13.332  3376.06  113.724  3376.06  113.724  3376.06  113.724  1116.97   18.854  1116.97   18.854 0.000000 0.000000 
1 1 1   -4    0    2 o  297.557   4.1869  239.523   9.5121  239.523   9.5121  239.523   9.5121  297.557   5.9211  297.557   5.9211 0.000000 0.000000 
1 1 1   -4    0    3 o  1852.74   21.945  9303.36  310.515  9303.36  310.515  9303.36  310.515  1852.74   31.035  1852.74   31.035 0.000000 0.000000 
1 1 1   -4    0    4 o  1564.41   18.564  6629.08  221.794  6629.08  221.794  6629.08  221.794  1564.41   26.254  1564.41   26.254 0.000000 0.000000 
1 1 1   -4    0    5 o  1033.56   12.372  2890.56   97.655  2890.56   97.655  2890.56   97.655  1033.56   17.497  1033.56   17.497 0.000000 0.000000 
1 1 1   -4    0    6 o  735.891   8.9554  1464.87   50.328  1464.87   50.328  1464.87   50.328  735.891   12.665  735.891   12.665 0.000000 0.000000 
1 1 1   -4    0    7 o  1174.18   14.008  3730.81  125.609  3730.81  125.609  3730.81  125.609  1174.18   19.810  1174.18   19.810 0.000000 0.000000 
1 1 1   -4    0    8 o  1423.12   16.915  5483.00  183.835  5483.00  183.835  5483.00  183.835  1423.12   23.921  1423.12   23.921 0.000000 0.000000 
1 1 1   -4    0    9 o  1710.87   20.290  7930.33  265.106  7930.33  265.106  7930.33  265.106  1710.87   28.694  1710.87   28.694 0.000000 0.000000 
1 1 1   -4    0   10 o  702.738   8.5975  1335.93   46.140  1335.93   46.140  1335.93   46.140  702.738   12.159  702.738   12.159 0.000000 0.000000 
1 1 1   -4    0   11 o  398.470   5.2846  429.493   16.079  429.493   16.079  429.493   16.079  398.470   7.4735  398.470   7.4735 0.000000 0.000000 
1 1 1   -4    0   12 o  1094.01   13.086  3238.51  109.333  3238.51  109.333  3238.51  109.333  1094.01   18.506  1094.01   18.506 0.000000 0.000000 
1 1 1   -4    0   13 o  458.454   5.9431  568.517   20.806  568.517   20.806  568.517   20.806  458.454   8.4047  458.454   8.4047 0.000000 0.000000 
1 1 1   -4    0   14 o  1688.44   20.019  7720.96  258.139  7720.96  258.139  7720.96  258.139  1688.44   28.311  1688.44   28.311 0.000000 0.000000 
1 1 1   -4    0   15 o  180.574   3.5547   88.308   4.8967   88.308   4.8967   88.308   4.8967  180.574   5.0271  180.574   5.0271 0.000000 0.000000 
1 1 1   -4    0   16 o  926.973   11.186  2325.11   79.189  2325.11   79.189  2325.11   79.189  926.973   15.820  926.973   15.820 0.000000 0.000000 
1 1 1   -4    0   17 o  166.690   3.6130   75.288   4.5926   75.288   4.5926   75.288   4.5926  166.690   5.1095  166.690   5.1095 0.000000 0.000000 
1 1 1   -4    0   18 o  553.985   6.9975  830.234   29.603  830.234   29.603  830.234   29.603  553.985   9.8959  553.985   9.8959 0.000000 0.000000 
1 1 1   -4    0   19 o  502.987   6.4580  684.484   24.805  684.484   24.805  684.484   24.805  502.987   9.1330  502.987   9.1330 0.000000 0.000000 
1 1 1   -4    0   20 o  115.751   3.8870   36.450   3.4206   36.450   3.4206   36.450   3.4206  115.751   5.4971  115.751   5.4971 0.000000 0.000000 
1 1 1   -4    0   21 o  1618.70   19.273  7114.73  238.252  7114.73  238.252  7114.73  238.252  1618.70   27.256  1618.70   27.256 0.000000 0.000000 
1 1 1   -4    0   22 o  650.320   8.0788  1144.59   40.121  1144.59   40.121  1144.59   40.121  650.320   11.425  650.320   11.425 0.000000 0.000000 
1 1 1   -4    0   23 o  324.755   4.7581  285.398   11.797  285.398   11.797  285.398   11.797  324.755   6.7289  324.755   6.7289 0.000000 0.000000 
1 1 1   -4    0   24 o  652.446   8.1171  1152.22   40.443  1152.22   40.443  1152.22   40.443  652.446   11.479  652.446   11.479 0.000000 0.000000 
1 1 1   -4    0   25 o  551.566   9.9686  824.775   41.956  824.775   41.956  824.775   41.956  551.566   14.098  551.566   14.098 0.000000 0.000000 
1 1 1   -4    0   28 o  196.925   4.2353  105.089   6.3602  105.089   6.3602  105.089   6.3602  196.925   5.9896  196.925   5.9896 0.000000 0.000000 
1 1 1   -4    0   29 o   77.319   6.9730   16.931   3.9372   16.931   3.9372   16.931   3.9372   77.319   9.8613   77.319   9.8613 0.000000 0.000000 
1 1 1   -4    0   30 o  1094.00   13.158  3242.11  109.933  3242.11  109.933  3242.11  109.933  1094.00   18.608  1094.00   18.608 0.000000 0.000000 
1 1 1   -4    0   31 o  254.487   4.5498  175.349   8.8356  175.349   8.8356  175.349   8.8356  254.487   6.4344  254.487   6.4344 0.000000 0.000000 
1 1 1   -4    0   32 o  268.485   4.6539  195.144   9.5357  195.144   9.5357  195.144   9.5357  268.485   6.5817  268.485   6.5817 0.000000 0.000000 
1 1 1   -4    0   33 o  168.630   4.6177   77.187   5.9303   77.187   5.9303   77.187   5.9303  168.630   6.5304  168.630   6.5304 0.000000 0.000000 
1 1 1   -4    0   34 o  113.282   6.2577   35.315   5.3412   35.315   5.3412   35.315   5.3412  113.282   8.8497  113.282   8.8497 0.000000 0.000000 
1 1 1   -4    0   35 o  249.436   4.8016  168.511   9.1373  168.511   9.1373  168.511   9.1373  249.436   6.7904  249.436   6.7904 0.000000 0.000000 
1 1 1   -4    0   36 o  327.524   5.2417  290.348   13.104  290.348   13.104  290.348   13.104  327.524   7.4130  327.524   7.4130 0.000000 0.000000 
1 1 1   -4    0   37 o  1685.26   20.089  7712.08  258.553  7712.08  258.553  7712.08  258.553  1685.26   28.410  1685.26   28.410 0.000000 0.000000 
1 1 1   -4    0   38 o  1189.49   14.307  3835.51  129.964  3835.51  129.964  3835.51  129.964  1189.49   20.233  1189.49   20.233 0.000000 0.000000 
1 1 1   -4    0   39 o   81.544   12.734   20.409   6.9406   20.409   6.9406   20.409   6.9406   81.544   18.009   81.544   18.009 0.000000 0.000000 
1 1 1   -4    0   40 o  629.239   8.0672  1071.74   38.763  1071.74   38.763  1071.74   38.763  629.239   11.409  629.239   11.409 0.000000 0.000000 
1 1 1   -4    0   41 o  458.520   6.4551  569.032   22.598  569.032   22.598  569.032   22.598  458.520   9.1289  458.520   9.1289 0.000000 0.000000 
1 1 1   -4    0   42 o  713.817   8.9731  1379.76   48.913  1379.76   48.913  1379.76   48.913  713.817   12.690  713.817   12.690 0.000000 0.000000 
1 1 1   -4    0   43 o  475.289   6.6142  611.535   24.003  611.535   24.003  611.535   24.003  475.289   9.3539  475.289   9.3539 0.000000 0.000000 
1 1 1   -4    0   44 o  812.376   10.081  1788.57   62.542  1788.57   62.542  1788.57   62.542  812.376   14.257  812.376   14.257 0.000000 0.000000 
1 1 1   -4    0   45 o  622.875   8.0593  1051.07   38.333  1051.07   38.333  1051.07   38.333  622.875   11.398  622.875   11.398 0.000000 0.000000 
1 1 1   -4    0   46 o  514.474   6.9721  716.916   27.389  716.916   27.389  716.916   27.389  514.474   9.8601  514.474   9.8601 0.000000 0.000000 
1 1 1   -4    0   47 o  367.980   5.8146  366.829   16.333  366.829   16.333  366.829   16.333  367.980   8.2231  367.980   8.2231 0.000000 0.000000 
1 1 1   -4    0   48 o   59.567   16.466   13.244   7.1652   13.244   7.1652   13.244   7.1652   59.567   23.287   59.567   23.287 0.000000 0.000000 
1 1 1   -4    0   49 o  375.700   5.8720  382.554   16.840  382.554   16.840  382.554   16.840  375.700   8.3043  375.700   8.3043 0.000000 0.000000 
1 1 1   -4    0   50 o  219.180   8.3726  131.464   13.930  131.464   13.930  131.464   13.930  219.180   11.841  219.180   11.841 0.000000 0.000000 
1 1 1   -4    0   51 o   22.749   11.225  -6.8024   7.1089  -6.8024   7.1089  -6.8024   7.1089   22.749   15.874   22.749   15.874 0.000000 0.000000 
1 1 1   -4    0   52 o  217.391   8.2218  129.414   13.569  129.414   13.569  129.414   13.569  217.391   11.627  217.391   11.627 0.000000 0.000000 
1 1 1   -4    0   53 o   23.711   11.534  -4.8458   6.8537  -4.8458   6.8537  -4.8458   6.8537   23.711   16.311   23.711   16.311 0.000000 0.000000 
1 1 1   -4    0   56 o   35.767   15.047   4.0050   7.2020   4.0050   7.2020   4.0050   7.2020   35.767   21.280   35.767   21.280 0.000000 0.000000 
1 1 1   -4    0   57 o  104.035   9.6331   31.079   7.2948   31.079   7.2948   31.079   7.2948  104.035   13.623  104.035   13.623 0.000000 0.000000 
1 1 1   -4    0   58 o   49.599   16.295   10.086   6.8485   10.086   6.8485   10.086   6.8485   49.599   23.044   49.599   23.044 0.000000 0.000000 
1 1 1   -4    0   59 o  131.686   7.7087   48.329   7.6352   48.329   7.6352   48.329   7.6352  131.686   10.902  131.686   10.902 0.000000 0.000000 
1 1 1   -4    0   60 o  147.944   7.1242   60.605   7.9687   60.605   7.9687   60.605   7.9687  147.944   10.075  147.944   10.075 0.000000 0.000000 
1 1 1   -4    0   61 o  112.705   9.1895   36.310   7.6412   36.310   7.6412   36.310   7.6412  112.705   12.996  112.705   12.996 0.000000 0.000000 
1 1 1   -4    0   62 o   96.376   11.228   27.768   7.5945   27.768   7.5945   27.768   7.5945   96.376   15.878   96.376   15.878 0.000000 0.000000 
1 1 1   -4    0   63 o  173.289   6.6963   82.927   8.8071   82.927   8.8071   82.927   8.8071  173.289   9.4700  173.289   9.4700 0.000000 0.000000 
1 1 1   -4    0   64 o  450.682   6.6207  556.867   22.780  556.867   22.780  556.867   22.780  450.682   9.3630  450.682   9.3630 0.000000 0.000000 
1 1 1   -4    0   65 o   49.095   17.117   10.538   7.6864   10.538   7.6864   10.538   7.6864   49.095   24.207   49.095   24.207 0.000000 0.000000 
1 1 1   -4    0   66 o  125.124   9.1080   45.069   8.4975   45.069   8.4975   45.069   8.4975  125.124   12.881  125.124   12.881 0.000000 0.000000 
1 1 1   -4    0   67 o   27.579   13.194  -2.8283   8.1986  -2.8283   8.1986  -2.8283   8.1986   27.579   18.659   27.579   18.659 0.000000 0.000000 
1 1 1   -4    0   68 o   55.048   18.395   13.648   8.7570   13.648   8.7570   13.648   8.7570   55.048   26.014   55.048   26.014 0.000000 0.000000 
1 1 1   -4    0   69 f  105.394   11.853   34.477   8.8233   34.477   8.8233   34.477   8.8233  105.394   16.763  105.394   16.763 0.000000 0.000000 
1 1 1   -4    0   70 o  130.172   9.4733   49.886   9.1950   49.886   9.1950   49.886   9.1950  130.172   13.397  130.172   13.397 0.000000 0.000000 
1 1 1   -4    1    1 o  847.632   10.215  1941.25   46.753  1986.71   67.698  1899.80   64.644  857.101   14.617  838.164   14.273 18.93732 20.42958 
1 1 1   -4    1    2 o  1112.53   13.276  3349.59   79.808  3361.07  113.267  3338.26  112.470  1114.42   18.809  1110.64   18.740 3.780884 26.55125 
1 1 1   -4    1    3 o  529.287   6.6306  756.205   18.945  735.717   26.091  779.053   27.553  521.718   9.2548  536.857   9.4978 -15.13940 13.26121 
1 1 1   -4    1    4 o  446.313   5.7269  538.193   13.809  545.944   19.782  530.826   19.284  449.445   8.1453  443.181   8.0525 6.264862 11.45375 
1 1 1   -4    1    5 o  892.788   10.740  2155.52   51.812  2153.47   73.180  2157.58   73.366  892.364   15.176  893.213   15.200 -0.8487549 21.47943 
1 1 1   -4    1    6 o  2146.86   25.426 12506.70  294.886 12343.63  411.247 12679.28  423.068  2132.54   35.688  2161.19   36.227 -28.64868 50.85263 
1 1 1   -4    1    7 o  617.394   7.6195  1029.68   25.408  1049.91   36.616  1010.89   35.287  623.237   10.872  611.551   10.678 11.68597 15.23903 
1 1 1   -4    1    8 o  733.769   8.9312  1455.46   35.408  1469.82   50.560  1441.64   49.603  737.318   12.690  730.221   12.571 7.096924 17.86240 
1 1 1   -4    1    9 o  890.122   10.719  2141.52   51.531  2185.96   74.398  2100.54   71.442  898.982   15.315  881.261   15.002 17.72015 21.43900 
1 1 1   -4    1   10 o  545.067   6.8360  802.351   20.121  784.753   27.854  821.559   29.099  538.823   9.5664  551.310   9.7677 -12.48633 13.67200 
1 1 1   -4    1   11 o  1061.01   12.695  3044.95   72.775  3016.77  101.902  3074.29  103.969  1056.01   17.858  1066.02   18.049 -10.00513 25.39027 
1 1 1   -4    1   12 o  709.433   8.6768  1359.30   33.239  1392.29   48.129  1329.23   45.959  717.649   12.411  701.218   12.129 16.43188 17.35368 
1 1 1   -4    1   13 o  133.346   3.3455   48.034   2.4101   48.546   3.4515   47.547   3.3669  134.039   4.7652  132.652   4.6971 1.386642 6.691077 
1 1 1   -4    1   14 o  525.854   6.6524  746.716   18.891  729.890   26.152  765.075   27.317  519.667   9.3131  532.041   9.5018 -12.37427 13.30478 
1 1 1   -4    1   15 o  188.605   3.6010   96.120   3.6699   95.977   5.1702   96.264   5.2101  188.464   5.0768  188.746   5.1084 -0.2811890 7.202021 
1 1 1   -4    1   16 o  1928.35   22.884 10100.08  238.448 10075.16  336.289 10125.28  338.152  1925.97   32.313  1930.73   32.412 -4.752441 45.76728 
1 1 1   -4    1   17 o  488.368   6.2791  644.529   16.568  652.142   23.677  637.224   23.192  491.192   8.9203  485.543   8.8394 5.648499 12.55811 
1 1 1   -4    1   18 o  879.603   10.643  2092.35   50.564  2129.37   72.782  2057.82   70.300  887.108   15.183  872.097   14.918 15.01050 21.28528 
1 1 1   -4    1   19 o  1180.41   14.135  3778.29   90.158  3799.74  128.285  3757.35  126.733  1183.71   20.056  1177.11   19.924 6.593018 28.27053 
1 1 1   -4    1   20 o  893.906   10.819  2164.30   52.259  2156.51   73.636  2172.20   74.178  892.292   15.272  895.521   15.329 -3.229919 21.63819 
1 1 1   -4    1   21 o  781.781   9.5475  1654.68   40.333  1651.09   56.933  1658.30   57.146  780.930   13.492  782.632   13.513 -1.701599 19.09491 
1 1 1   -4    1   22 o  721.442   8.8713  1408.32   34.574  1387.32   48.175  1430.63   49.647  715.907   12.453  726.976   12.638 -11.06909 17.74269 
1 1 1   -4    1   23 o  426.978   5.7018  492.944   13.155  496.225   18.717  489.741   18.493  428.382   8.0855  425.575   8.0414 2.806274 11.40352 
1 1 1   -4    1   24 o  877.386   10.659  2085.24   50.511  2121.39   72.734  2051.57   70.199  884.701   15.214  870.071   14.931 14.63043 21.31702 
1 1 1   -4    1   25 o  370.353   10.328  371.171   20.669  371.171   20.669   0.0000   0.0000  370.353   10.328  ?   ?       ?      ? 
1 1 1   -4    1   27 o  628.686   15.823  1071.40   53.755  1071.40   53.755   0.0000   0.0000  628.686   15.823  ?   ?       ?      ? 
1 1 1   -4    1   28 o  646.789   8.0848  1131.93   28.254  1122.86   39.634  1141.31   40.288  644.158   11.387  649.420   11.481 -5.261963 16.16961 
1 1 1   -4    1   29 f  392.249   5.4787  415.939   11.612  413.198   16.329  418.743   16.517  390.942   7.7296  393.556   7.7666 -2.613342 10.95747 
1 1 1   -4    1   30 o  261.245   4.5563  184.426   6.4311  187.690   9.1841  181.287   9.0085  263.512   6.4498  258.978   6.4372 4.533569 9.112540 
1 1 1   -4    1   31 o  293.268   4.7406  232.458   7.5122  231.485   10.572  233.452   10.677  292.648   6.6853  293.888   6.7229 -1.240051 9.481103 
1 1 1   -4    1   32 o  769.430   9.4621  1601.62   39.337  1588.25   55.168  1615.44   56.105  766.170   13.325  772.690   13.437 -6.520386 18.92414 
1 1 1   -4    1   33 o  884.295   10.764  2116.07   51.425  2090.09   71.810  2143.41   73.679  878.737   15.123  889.853   15.323 -11.11603 21.52888 
1 1 1   -4    1   34 o  746.485   9.2264  1507.24   37.206  1486.03   51.869  1529.72   53.399  741.086   12.952  751.885   13.143 -10.79968 18.45275 
1 1 1   -4    1   35 o  311.185   5.0541  261.721   8.4979  256.888   11.952  266.661   12.085  308.280   7.1746  314.090   7.1205 -5.810333 10.10820 
1 1 1   -4    1   36 o  732.692   9.1011  1452.63   36.033  1455.78   51.086  1449.51   50.831  733.481   12.889  731.903   12.853 1.578186 18.20218 
1 1 1   -4    1   37 f  576.642   7.4603  899.437   23.246  897.150   32.776  901.751   32.975  575.906   10.532  577.379   10.569 -1.472778 14.92064 
1 1 1   -4    1   38 o  333.220   5.4133  300.043   9.7437  294.293   13.556  306.190   14.015  329.921   7.6036  336.520   7.7073 -6.598969 10.82667 
1 1 1   -4    1   39 o  609.425   7.8415  1004.81   25.821  1013.75   36.782  996.132   36.257  612.093   11.121  606.757   11.058 5.336182 15.68309 
1 1 1   -4    1   40 o  886.377   10.866  2129.24   52.043  2117.29   73.186  2141.45   74.020  883.870   15.323  888.883   15.410 -5.012573 21.73209 
1 1 1   -4    1   41 o  288.797   5.5879  225.476   8.7185  222.723   12.184  228.365   12.481  286.992   7.8565  290.602   7.9482 -3.609772 11.17579 
1 1 1   -4    1   42 o  534.239   7.1436  772.372   20.622  777.297   29.310  767.544   29.019  535.924   10.121  532.554   10.084 3.369568 14.28715 
1 1 1   -4    1   43 o  795.553   9.8785  1713.10   42.410  1662.66   58.189  1770.25   61.939  783.127   13.750  807.979   14.187 -24.85211 19.75692 
1 1 1   -4    1   44 o  516.913   7.0041  723.356   19.563  730.733   27.878  716.200   27.458  519.506   9.9308  514.320   9.8799 5.186584 14.00830 
1 1 1   -4    1   45 o  404.947   6.0842  443.331   13.303  429.841   18.367  458.216   19.293  398.483   8.5299  411.411   8.6783 -12.92874 12.16844 
1 1 1   -4    1   46 o  192.227   6.1969   99.981   6.4297  101.607   9.3474   98.521   8.8582  193.701   8.9304  190.754   8.5938 2.947479 12.39376 
1 1 1   -4    1   47 o  194.885   5.9822  102.962   6.2931   97.799   8.9213  108.076   8.8784  190.005   8.6891  199.766   8.2248 -9.761200 11.96443 
1 1 1   -4    1   48 o  433.867   6.2676  510.275   14.694  509.420   20.805  511.125   20.756  433.502   8.8815  434.233   8.8458 -0.7308350 12.53513 
1 1 1   -4    1   49 o  247.442   6.7626  166.317   8.5800  166.664   10.587  165.653   14.646  247.992   7.9002  246.892   10.978 1.099197 13.52529 
1 1 1   -4    1   50 o  196.498   7.2534  103.577   7.3143  100.626   8.9690  109.437   12.638  192.556   8.6198  200.439   11.668 -7.882919 14.50690 
1 1 1   -4    1   51 o  206.619   8.1423  115.836   9.0908   0.0000   0.0000  115.836   9.0908  ?   ?   206.619   8.1423      ?      ? 
1 1 1   -4    1   52 o  196.473   7.2202  102.794   7.3328   97.549   9.0262  112.973   12.575  189.460   8.8165  203.486   11.436 -14.02545 14.44031 
1 1 1   -4    1   53 o  127.053   10.884   44.593   7.4163   51.824   10.662   37.815   10.322  137.212   14.380  116.895   16.342 20.31747 21.76795 
1 1 1   -4    1   56 o  210.981   7.2059  118.243   7.6848  132.500   13.851  111.903   9.2367  219.427   11.682  202.536   8.4397 16.89114 14.41175 
1 1 1   -4    1   57 o  306.122   5.5919  255.551   9.2491  255.325   13.166  255.771   12.996  305.969   7.9632  306.276   7.8526 -0.3067627 11.18372 
1 1 1   -4    1   58 o  128.966   7.6807   45.791   5.3230   52.638   7.7129   39.562   7.3556  138.284   10.322  119.647   11.377 18.63721 15.36146 
1 1 1   -4    1   59 o  229.154   5.6618  143.234   7.0011  152.529   10.218  135.008   9.6122  236.143   8.0073  222.166   8.0068 13.97664 11.32367 
1 1 1   -4    1   60 o  160.579   6.7344   71.081   5.8422   69.449   8.2700   72.707   8.2542  158.699   9.6436  162.460   9.4025 -3.760345 13.46870 
1 1 1   -4    1   61 o  226.884   5.8354  141.328   7.1535  142.276   10.204  140.412   10.032  227.613   8.2960  226.156   8.2089 1.457581 11.67083 
1 1 1   -4    1   62 o  267.580   5.7384  196.863   8.2951  190.820   11.671  203.032   11.792  263.381   8.2003  271.779   8.0296 -8.397186 11.47687 
1 1 1   -4    1   63 o   89.063   11.527   23.501   5.4151   21.517   7.7138   25.428   7.6035   84.205   17.523   93.922   14.982 -9.716385 23.05445 
1 1 1   -4    1   64 f  141.319   7.9526   56.058   6.0198   46.914   8.3454   65.975   8.6916  128.949   11.977  153.689   10.466 -24.74019 15.90524 
1 1 1   -4    1   65 f  310.631   5.9062  267.098   9.9135  264.485   14.010  269.719   14.029  309.077   8.3886  312.185   8.3165 -3.107880 11.81238 
1 1 1   -4    1   66 o   50.003   13.863   5.9477   5.5969   2.7703   8.0746   8.8860   7.7649   45.165   19.128   54.841   20.071 -9.675602 27.72629 
1 1 1   -4    1   67 o  301.011   6.1300  252.348   9.9676  256.892   14.318  248.075   13.884  303.576   8.7285  298.445   8.6093 5.130798 12.25996 
1 1 1   -4    1   68 o  167.810   7.8766   79.769   7.0986   93.083   10.580   68.870   9.5729  180.672   10.837  154.948   11.433 25.72374 15.75328 
1 1 1   -4    1   69 o  132.200   9.1762   51.712   6.5236   58.904   9.7380   45.857   8.7867  140.620   12.815  123.781   13.137 16.83923 18.35237 
1 1 1   -4    1   70 o  311.698   6.2259  275.736   10.470  290.115   15.341  263.198   14.325  319.120   8.8962  304.277   8.7124 14.84326 12.45185 
1 1 1   -4    2    1 o  314.904   4.3976  267.705   7.4787  260.073   10.364  275.996   10.803  310.227   6.1825  319.581   6.2555 -9.354523 8.795129 
1 1 1   -4    2    2 o  1206.10   14.373  3937.66   93.668  3915.36  131.674  3960.50  133.273  1202.65   20.262  1209.55   20.391 -6.896973 28.74571 
1 1 1   -4    2    3 o  831.807   10.046  1870.59   45.148  1891.57   64.583  1850.54   63.139  836.363   14.290  827.252   14.124 9.111023 20.09241 
1 1 1   -4    2    4 o  2093.92   24.806 11898.27  280.597 11739.66  391.179 12066.37  402.723  2079.63   34.810  2108.22   35.351 -28.58594 49.61267 
1 1 1   -4    2    5 o  1055.88   12.626  3014.06   72.009  2963.43  100.062  3068.45  103.710  1046.70   17.691  1065.07   18.020 -18.36340 25.25268 
1 1 1   -4    2    6 o  1122.86   13.408  3410.86   81.355  3394.76  114.529  3427.25  115.584  1120.19   18.921  1125.54   19.004 -5.341919 26.81694 
1 1 1   -4    2    7 o  1266.76   15.082  4343.07  103.228  4308.56  144.768  4378.78  147.237  1261.65   21.235  1271.87   21.423 -10.21851 30.16410 
1 1 1   -4    2    8 o  667.745   8.1928  1204.29   29.540  1177.06   40.840  1234.16   42.779  659.841   11.454  675.648   11.717 -15.80615 16.38557 
1 1 1   -4    2    9 o  530.733   6.6773  761.367   19.150  761.802   27.104  760.932   27.060  530.884   9.4481  530.581   9.4381 0.3028564 13.35460 
1 1 1   -4    2   10 o  892.778   10.764  2154.71   51.909  2189.01   74.604  2122.52   72.271  899.656   15.346  885.901   15.097 13.75433 21.52727 
1 1 1   -4    2   11 o  1461.05   17.351  5780.47  136.982  5807.86  194.677  5753.61  192.781  1464.47   24.601  1457.63   24.475 6.838623 34.70193 
1 1 1   -4    2   12 o  473.425   6.0841  605.640   15.563  611.257   22.213  600.224   21.811  475.580   8.6435  471.270   8.5647 4.310394 12.16820 
1 1 1   -4    2   13 o  1014.12   12.162  2781.75   66.649  2775.27   94.045  2788.28   94.468  1012.93   17.182  1015.30   17.219 -2.369446 24.32483 
1 1 1   -4    2   14 o  1140.05   13.628  3516.63   83.947  3489.18  117.748  3545.00  119.714  1135.53   19.190  1144.57   19.356 -9.032959 27.25602 
1 1 1   -4    2   15 o  662.934   8.1784  1187.32   29.281  1164.19   40.605  1212.38   42.264  656.216   11.451  669.653   11.680 -13.43665 16.35674 
1 1 1   -4    2   16 o  1384.78   16.489  5195.51  123.381  5201.28  174.687  5189.77  174.288  1385.54   23.332  1384.01   23.304 1.529175 32.97705 
1 1 1   -4    2   17 f  652.593   8.0715  1150.97   28.454  1133.05   39.631  1170.03   40.878  647.357   11.329  657.830   11.500 -10.47284 16.14299 
1 1 1   -4    2   18 o  1461.07   17.409  5792.29  137.441  5827.84  195.545  5757.59  193.218  1465.48   24.693  1456.66   24.547 8.822388 34.81853 
1 1 1   -4    2   19 o  655.745   8.1214  1162.84   28.769  1145.32   40.089  1181.44   41.308  650.660   11.402  660.830   11.568 -10.16937 16.24276 
1 1 1   -4    2   20 o  650.624   8.0681  1145.15   28.362  1134.45   39.747  1156.25   40.483  647.532   11.359  653.715   11.460 -6.182617 16.13612 
1 1 1   -4    2   21 o  928.119   13.793  2331.94   64.947  2321.43   79.152  2353.60  113.625  925.612   15.825  930.627   22.595 -5.014771 27.58557 
1 1 1   -4    2   22 o  411.253   5.5474  457.298   12.328  457.189   17.443  457.406   17.425  411.204   7.8502  411.302   7.8404 -0.9796143E-01 11.09488 
1 1 1   -4    2   23 o  982.576   11.859  2617.06   62.951  2652.85   90.273  2583.19   87.829  989.087   16.890  976.064   16.652 13.02264 23.71857 
1 1 1   -4    2   24 o  736.513   11.097  1469.41   41.619  1474.32   72.189  1466.97   50.937  737.013   18.126  736.013   12.807 0.9998169 22.19437 
1 1 1   -4    2   25 o  300.974   9.0904  245.045   14.784  245.045   14.784   0.0000   0.0000  300.974   9.0904  ?   ?       ?      ? 
1 1 1   -4    2   27 o  162.212   6.1710   71.047   5.4024   76.216   7.8015   66.284   7.4885  167.875   8.6001  156.550   8.8523 11.32483 12.34202 
1 1 1   -4    2   28 o  574.846   7.3079  893.725   22.696  904.290   32.478  883.642   31.730  578.161   10.396  571.531   10.274 6.630432 14.61588 
1 1 1   -4    2   29 o  972.130   11.760  2560.66   61.776  2550.42   87.033  2571.04   87.700  970.177   16.601  974.082   16.662 -3.904724 23.52051 
1 1 1   -4    2   30 o  962.646   11.658  2509.81   60.632  2478.89   84.700  2542.31   86.833  956.583   16.386  968.709   16.588 -12.12634 23.31677 
1 1 1   -4    2   31 o  961.600   11.645  2504.00   60.506  2522.50   86.240  2486.06   84.912  965.089   16.537  958.111   16.401 6.977173 23.29066 
1 1 1   -4    2   32 o  767.983   9.4526  1594.19   39.197  1633.62   56.806  1558.35   54.154  777.026   13.529  758.941   13.205 18.08496 18.90524 
1 1 1   -4    2   33 o  790.511   9.7137  1690.97   41.493  1692.80   58.752  1689.15   58.609  790.938   13.747  790.085   13.728 0.8525391 19.42736 
1 1 1   -4    2   34 o  508.870   6.6924  700.162   18.402  695.938   25.950  704.437   26.100  507.326   9.4658  510.414   9.4630 -3.088501 13.38470 
1 1 1   -4    2   35 o  389.405   5.6180  409.781   11.819  401.634   16.532  418.301   16.905  385.448   7.9371  393.363   7.9531 -7.915558 11.23604 
1 1 1   -4    2   36 o  921.347   11.214  2298.86   55.828  2305.05   79.230  2292.75   78.679  922.575   15.893  920.119   15.824 2.455750 22.42751 
1 1 1   -4    2   37 o  292.467   5.1511  231.074   8.1379  224.477   11.332  238.100   11.694  288.160   7.2775  296.774   7.2920 -8.614410 10.30221 
1 1 1   -4    2   38 o  402.895   5.8683  438.905   12.775  443.558   18.162  434.347   17.974  405.009   8.2987  400.781   8.2995 4.227173 11.73668 
1 1 1   -4    2   39 o  1317.43   15.815  4717.18  112.585  4728.56  159.651  4705.92  158.789  1318.99   22.400  1315.86   22.332 3.137085 31.62997 
1 1 1   -4    2   40 o  753.375   9.3943  1536.91   38.240  1522.59   53.621  1551.72   54.550  749.813   13.234  756.937   13.337 -7.123230 18.78864 
1 1 1   -4    2   41 o  1074.40   13.015  3133.15   75.556  3150.62  107.467  3116.08  106.249  1077.34   18.460  1071.45   18.351 5.892334 26.02952 
1 1 1   -4    2   42 o  809.350   10.031  1774.55   43.847  1811.20   63.297  1740.74   60.797  817.351   14.331  801.349   14.040 16.00122 20.06287 
1 1 1   -4    2   43 o  993.904   12.113  2683.15   65.058  2681.61   91.973  2684.70   92.038  993.619   17.130  994.189   17.132 -0.5705566 24.22684 
1 1 1   -4    2   44 o  199.811   6.1790  108.028   6.6708  110.173   9.5131  105.953   9.3566  201.762   8.7256  197.860   8.7513 3.902512 12.35805 
1 1 1   -4    2   45 f   91.392   11.223   23.049   5.4315   23.845   7.7702   22.288   7.5954   93.651   15.354   89.133   16.373 4.518311 22.44641 
1 1 1   -4    2   46 o  351.404   5.7288  334.296   10.878  332.241   15.438  336.322   15.329  350.327   8.1551  352.481   8.0480 -2.154297 11.45762 
1 1 1   -4    2   47 o  515.753   6.9937  721.223   19.491  718.314   27.567  724.131   27.562  514.709   9.9114  516.797   9.8698 -2.087646 13.98746 
1 1 1   -4    2   48 f   94.474   10.996   24.765   5.4810   26.124   7.6665   23.343   7.8389   97.894   14.493   91.054   16.541 6.839920 21.99213 
1 1 1   -4    2   49 o  173.449   7.8006   80.584   6.9536   78.049   8.5352   85.586   11.991  169.601   9.3131  177.296   12.516 -7.695282 15.60119 
1 1 1   -4    2   50 f  467.909   8.1570  591.548   19.172  609.459   34.339  583.435   23.110  472.332   13.454  463.487   9.2272 8.845581 16.31409 
1 1 1   -4    2   51 o   93.940   13.837   29.352   6.3422   14.500   11.704   35.527   7.5462   73.762   24.822  114.119   12.237 -40.35677 27.67477 
1 1 1   -4    2   52 f  254.744   6.7513  175.001   8.7985  181.396   15.233  171.800   10.778  257.930   10.929  251.557   7.9290 6.373184 13.50261 
1 1 1   -4    2   53 o  140.811   10.102   54.463   7.6737   59.009   11.110   50.315   10.612  146.463   14.038  135.159   14.529 11.30444 20.20319 
1 1 1   -4    2   54 f   49.232   21.362  -0.7723   10.533  -0.7723   10.533   0.0000   0.0000   49.232   21.362  ?   ?       ?      ? 
1 1 1   -4    2   55 o   85.927   16.376   21.930   7.7709   21.975   10.735   21.881   11.263   86.055   22.743   85.799   23.570 0.2565613 32.75300 
1 1 1   -4    2   56 o  102.250   14.087   30.406   7.6124   34.279   10.718   26.464   10.813  110.222   17.996   94.278   21.679 15.94344 28.17448 
1 1 1   -4    2   57 o  278.666   5.5591  211.784   8.3688  210.726   11.955  212.801   11.719  277.951   7.9596  279.380   7.7627 -1.429565 11.11822 
1 1 1   -4    2   58 o  118.169   8.3951   38.709   5.3233   44.735   7.6493   33.050   7.4128  127.273   11.122  109.066   12.578 18.20686 16.79014 
1 1 1   -4    2   59 o  221.403   5.8024  133.981   6.9366  140.435   10.034  128.075   9.5998  226.504   8.1984  216.302   8.2132 10.20219 11.60475 
1 1 1   -4    2   60 o  201.395   6.0576  111.473   6.5859  108.072   9.4212  114.724   9.2103  198.301   8.7921  204.488   8.3352 -6.186783 12.11512 
1 1 1   -4    2   61 o  134.568   7.7480   50.146   5.6189   55.544   8.2145   45.400   7.7028  141.417   10.750  127.718   11.161 13.69946 15.49596 
1 1 1   -4    2   62 o  133.260   7.8634   49.772   5.6383   45.430   8.0668   53.920   7.8838  127.315   11.726  139.206   10.481 -11.89155 15.72688 
1 1 1   -4    2   63 o  166.688   6.9312   77.233   6.2410   74.710   8.8042   79.782   8.8480  163.885   9.9417  169.491   9.6608 -5.606491 13.86249 
1 1 1   -4    2   64 o  244.584   5.8549  165.107   7.7346  164.846   11.101  165.352   10.783  244.316   8.4084  244.852   8.1497 -0.5354462 11.70977 
1 1 1   -4    2   65 o  111.440   9.6454   35.503   5.7385   43.520   8.4646   28.684   7.8062  123.469   12.687   99.411   14.532 24.05849 19.29085 
1 1 1   -4    2   66 o   96.981   11.622   29.021   5.8639   25.314   8.5815   32.267   8.0315   89.231   18.408  104.732   14.191 -15.50082 23.24366 
1 1 1   -4    2   67 o   94.235   12.601   27.415   6.2412   33.773   9.0848   21.733   8.5889  106.448   15.794   82.021   19.639 24.42754 25.20171 
1 1 1   -4    2   68 o  164.180   7.9032   76.975   6.9894   85.915   10.231   69.152   9.5708  173.290   10.926  155.069   11.422 18.22163 15.80634 
1 1 1   -4    2   69 o   71.223   14.676   17.784   6.1216   22.754   8.9478   13.411   8.3932   80.679   20.487   61.767   21.019 18.91203 29.35150 
1 1 1   -4    2   70 o   76.409   14.338   21.476   6.2210   15.889   9.0516   26.477   8.5643   64.839   21.829   87.980   18.596 -23.14069 28.67650 
1 1 1   -4    3    1 o  1036.99   12.419  2907.19   69.562  2859.81   96.711  2957.97  100.129  1028.25   17.406  1045.73   17.720 -17.47791 24.83820 
1 1 1   -4    3    2 o  1209.90   14.424  3961.02   94.301  3964.56  133.562  3957.50  133.164  1210.44   20.420  1209.36   20.377 1.074097 28.84779 
1 1 1   -4    3    3 o  887.961   10.706  2131.96   51.368  2119.80   72.248  2144.40   73.050  885.403   15.101  890.520   15.181 -5.117065 21.41227 
1 1 1   -4    3    4 o  1331.30   15.835  4796.83  113.903  4761.93  159.844  4832.83  162.351  1326.39   22.302  1336.21   22.485 -9.817871 31.66924 
1 1 1   -4    3    5 o  460.663   5.9364  573.500   14.777  571.161   20.831  575.868   20.965  459.718   8.3857  461.608   8.4050 -1.890015 11.87283 
1 1 1   -4    3    6 o  469.310   6.0288  594.744   15.280  580.730   21.168  609.989   22.079  463.544   8.4510  475.075   8.6005 -11.53137 12.05769 
1 1 1   -4    3    7 o  1506.91   17.907  6152.20  145.784  6222.22  208.708  6085.48  203.721  1515.25   25.490  1498.56   25.158 16.68323 35.81406 
1 1 1   -4    3    8 o  378.498   5.0918  387.161   10.414  385.806   14.715  388.520   14.740  377.835   7.2074  379.162   7.1944 -1.326965 10.18364 
1 1 1   -4    3    9 o  255.609   5.6013  176.551   7.7366  176.551   7.7366   0.0000   0.0000  255.609   5.6013  ?   ?       ?      ? 
1 1 1   -4    3   10 f  399.158   5.3019  429.567   11.418  413.267   15.630  448.224   16.721  391.058   7.3964  407.259   7.5982 -16.20123 10.60377 
1 1 1   -4    3   11 o  429.727   5.6297  498.790   13.068  489.543   18.193  508.647   18.784  425.615   7.9102  433.839   8.0127 -8.223785 11.25946 
1 1 1   -4    3   12 o  348.230   4.8177  327.478   9.0615  334.487   13.057  320.966   12.586  351.822   6.8678  344.638   6.7584 7.183655 9.635474 
1 1 1   -4    3   13 o  653.919   8.0674  1155.88   28.505  1161.46   40.519  1150.41   40.110  655.480   11.440  652.357   11.378 3.123535 16.13473 
1 1 1   -4    3   14 o  450.591   5.8714  548.731   14.296  547.352   20.202  550.114   20.233  450.024   8.3074  451.159   8.2994 -1.134521 11.74283 
1 1 1   -4    3   15 o  1028.12   12.336  2859.84   68.524  2887.47   97.895  2833.31   95.951  1032.98   17.538  1023.27   17.353 9.717041 24.67189 
1 1 1   -4    3   16 o  1497.61   17.812  6079.19  144.137  6034.70  202.348  6125.02  205.367  1492.07   25.097  1503.15   25.284 -11.08691 35.62481 
1 1 1   -4    3   17 o  904.059   10.921  2210.70   53.338  2241.71   76.528  2181.41   74.381  910.212   15.559  897.905   15.330 12.30640 21.84274 
1 1 1   -4    3   18 o  893.487   10.811  2160.44   52.183  2129.36   72.738  2193.41   74.907  886.880   15.178  900.094   15.401 -13.21313 21.62298 
1 1 1   -4    3   19 o  207.749   3.8550  116.579   4.3263  119.549   6.2103  113.779   6.0303  210.318   5.4645  205.180   5.4390 5.137650 7.709905 
1 1 1   -4    3   20 o  460.819   6.0360  574.153   15.029  569.160   21.118  579.277   21.394  458.790   8.5183  462.848   8.5540 -4.057861 12.07192 
1 1 1   -4    3   21 o  788.178   9.6262  1682.05   40.998  1676.01   57.784  1688.16   58.177  786.758   13.592  789.599   13.635 -2.840515 19.25247 
1 1 1   -4    3   22 o  504.638   6.5071  688.766   17.744  687.192   25.052  690.350   25.136  504.060   9.1975  505.217   9.2074 -1.156311 13.01424 
1 1 1   -4    3   23 o  191.545   4.8021   99.269   4.7512   98.919   7.9874   99.460   5.9106  191.267   7.7282  191.824   5.7022 -0.5571442 9.604198 
1 1 1   -4    3   24 f  569.112   10.164  877.702   31.258  877.477   44.154  877.928   44.256  569.040   14.359  569.183   14.389 -0.1425781 20.32839 
1 1 1   -4    3   25 o  797.773   19.537  1729.05   84.222  1729.05   84.222   0.0000   0.0000  797.773   19.537  ?   ?       ?      ? 
1 1 1   -4    3   26 o  231.024   6.3211  144.311   7.8899  141.531   11.044  147.207   11.275  228.753   8.9347  233.295   8.9441 -4.541382 12.64222 
1 1 1   -4    3   27 o  118.246   7.4693   37.535   4.7333   45.000   7.0113   31.284   6.4160  128.972   10.060  107.521   11.043 21.45154 14.93851 
1 1 1   -4    3   28 o  317.398   4.8514  271.689   8.3102  259.205   11.412  285.780   12.125  309.656   6.8203  325.141   6.9011 -15.48431 9.702703 
1 1 1   -4    3   29 o  724.024   8.9491  1418.66   35.012  1421.19   49.612  1416.15   49.418  724.666   12.669  723.382   12.642 1.284180 17.89823 
1 1 1   -4    3   30 o  827.714   10.121  1853.97   45.253  1881.67   65.007  1827.92   63.032  833.698   14.430  821.731   14.195 11.96741 20.24176 
1 1 1   -4    3   31 f  1269.08   15.203  4368.46  104.256  4370.81  147.516  4366.10  147.364  1269.42   21.505  1268.74   21.495 0.6812744 30.40566 
1 1 1   -4    3   32 o  879.749   10.713  2094.59   50.925  2077.64   71.454  2112.09   72.599  876.139   15.093  883.360   15.209 -7.221313 21.42671 
1 1 1   -4    3   33 o  274.531   4.7892  203.621   7.1022  206.839   10.205  200.599   9.8905  276.632   6.8268  272.429   6.7186 4.202667 9.578334 
1 1 1   -4    3   34 o  993.572   12.022  2673.86   64.544  2661.89   90.911  2686.03   91.652  991.334   16.971  995.810   17.033 -4.475403 24.04420 
1 1 1   -4    3   35 o  462.401   6.2820  578.053   15.695  580.691   22.386  575.504   22.010  463.436   8.9392  461.365   8.8286 2.070404 12.56394 
1 1 1   -4    3   36 o  280.987   5.0219  213.374   7.6227  215.332   10.935  211.522   10.632  282.240   7.1697  279.734   7.0336 2.505341 10.04372 
1 1 1   -4    3   37 o  613.986   7.8432  1019.80   26.020  1010.26   36.517  1029.65   37.085  611.070   11.059  616.903   11.125 -5.832886 15.68637 
1 1 1   -4    3   38 o  546.237   7.1776  807.165   21.186  805.551   29.912  808.789   30.011  545.689   10.144  546.784   10.157 -1.094666 14.35528 
1 1 1   -4    3   39 o  454.216   6.3670  557.921   15.627  552.854   21.979  563.101   22.222  452.131   8.9960  456.301   9.0126 -4.170166 12.73398 
1 1 1   -4    3   40 o  1068.12   12.943  3096.02   74.696  3064.17  104.581  3129.19  106.722  1062.54   18.215  1073.70   18.394 -11.16541 25.88676 
1 1 1   -4    3   41 o  323.372   7.9613  282.780   13.912   0.0000   0.0000  282.780   13.912  ?   ?   323.372   7.9613      ?      ? 
1 1 1   -4    3   42 o  553.525   7.3377  829.107   21.943  817.161   30.643  841.680   31.436  549.439   10.321  557.610   10.433 -8.170715 14.67544 
1 1 1   -4    3   43 o  403.546   6.0853  440.584   13.269  441.381   18.833  439.799   18.699  403.907   8.6288  403.185   8.5829 0.7218933 12.17055 
1 1 1   -4    3   44 o  354.682   5.7735  340.420   11.065  337.106   15.619  343.759   15.678  352.948   8.1896  356.417   8.1403 -3.468781 11.54703 
1 1 1   -4    3   45 o  181.089   6.3481   88.828   6.2053   83.725   8.7418   94.010   8.8098  175.835   9.2004  186.342   8.7491 -10.50778 12.69628 
1 1 1   -4    3   46 o  389.993   5.9862  411.845   12.614  410.246   17.961  413.401   17.718  389.238   8.5395  390.747   8.3913 -1.509003 11.97231 
1 1 1   -4    3   47 o   79.325   12.650   17.756   5.3190   21.944   7.7645   14.052   7.3013   88.214   16.904   70.436   18.823 17.77773 25.29944 
1 1 1   -4    3   48 o  541.194   8.8574  801.125   24.628  811.181   30.542  782.432   41.641  546.662   10.339  535.726   14.384 10.93658 17.71481 
1 1 1   -4    3   49 o  325.899   7.0432  279.198   11.328  311.036   21.323  266.680   13.371  338.124   11.671  313.674   7.8883 24.44901 14.08639 
1 1 1   -4    3   50 o  111.755   11.880   35.870   6.1818   32.568   11.520   37.206   7.3257  106.655   20.736  116.854   11.602 -10.19936 23.76086 
1 1 1   -4    3   51 o  985.995   12.207  2678.16   65.039  2670.67   91.766  2685.73   92.192  984.627   17.247  987.363   17.279 -2.736389 24.41416 
1 1 1   -4    3   52 o  191.371   8.2456   99.857   8.5166  103.221   12.417   96.869   11.704  194.381   11.821  188.362   11.499 6.019501 16.49111 
1 1 1   -4    3   53 o  393.901   8.4112  424.675   17.900  420.045   25.051  429.504   25.587  391.734   11.835  396.068   11.955 -4.333771 16.82233 
1 1 1   -4    3   55 o   88.279   15.512   22.697   7.5463   31.351   11.135   15.345   10.263  103.465   20.639   73.094   23.163 30.37134 31.02398 
1 1 1   -4    3   56 o  247.651   8.1535  168.782   10.902  168.221   15.727  169.302   15.126  247.159   11.776  248.144   11.280 -0.9856873 16.30694 
1 1 1   -4    3   57 o  167.339   6.5963   76.727   5.9601   74.196   8.4913   79.186   8.3679  164.564   9.5489  170.114   9.1030 -5.550522 13.19269 
1 1 1   -4    3   58 f  134.680   7.5655   49.814   5.4939   53.697   8.0916   46.494   7.4831  139.519   10.733  129.841   10.666 9.678085 15.13096 
1 1 1   -4    3   59 o  311.036   5.7035  264.722   9.5848  270.063   13.673  259.560   13.440  314.126   8.0549  307.947   8.0770 6.179535 11.40693 
1 1 1   -4    3   60 f  151.726   7.0389   64.178   5.7080   54.838   8.2109   72.913   7.9405  140.648   10.804  162.804   9.0260 -22.15587 14.07785 
1 1 1   -4    3   61 o   82.664   11.952   20.775   5.2111   14.686   7.6594   26.023   7.1104   69.390   19.577   95.939   13.716 -26.54914 23.90310 
1 1 1   -4    3   62 o  127.204   8.5326   46.140   5.7069   34.272   8.0526   58.114   8.0889  109.872   13.563  144.537   10.357 -34.66441 17.06524 
1 1 1   -4    3   63 o   40.056   12.292  -0.3538   5.0551  -3.6699   7.3760   2.5833   6.9418   36.501   16.693   43.610   18.049 -7.109886 24.58486 
1 1 1   -4    3   64 o   59.552   13.955   10.702   5.2221   10.559   7.7754   10.819   7.0484   59.419   20.231   59.686   19.226 -0.2674637 27.90905 
1 1 1   -4    3   65 o  116.472   9.3713   38.522   5.8544   45.659   8.7433   32.722   7.8823  126.376   12.803  106.567   13.688 19.80881 18.74270 
1 1 1   -4    3   66 f   41.816   12.867   0.7886   5.4238   2.4112   8.0606  -0.5539   7.3319   44.524   18.993   39.108   17.364 5.416351 25.73407 
1 1 1   -4    3   67 o   98.564   11.968   29.467   6.2382   31.358   9.2704   27.902   8.4331  101.980   16.823   95.148   17.027 6.832123 23.93588 
1 1 1   -4    3   68 o   68.131   10.998   11.704   6.1095 -11.1972   8.8680   32.394   8.4290   32.978   15.992  103.285   15.102 -70.30785 21.99605 
1 1 1   -4    3   69 o   51.144   14.057   7.1258   5.8673   2.2141   8.5710   11.457   8.0488   44.049   19.191   58.238   20.544 -14.18879 28.11312 
1 1 1   -4    3   70 o  151.723   8.2488   68.030   6.7482   73.945   9.9093   62.914   9.2151  157.908   11.613  145.538   11.718 12.36937 16.49752 
1 1 1   -4    4    1 o  929.379   11.202  2336.02   56.254  2342.23   79.823  2329.90   79.290  930.603   15.874  928.154   15.809 2.448181 22.40311 
1 1 1   -4    4    3 o  338.602   6.7398  309.828   12.332  309.828   12.332   0.0000   0.0000  338.602   6.7398  ?   ?       ?      ? 
1 1 1   -4    4    5 o  354.337   4.8784  339.301   9.3407  337.884   13.185  340.728   13.234  353.595   6.9007  355.080   6.8975 -1.485352 9.756829 
1 1 1   -4    4    6 o  662.955   8.1662  1188.23   29.254  1186.03   41.312  1190.44   41.432  662.341   11.543  663.569   11.555 -1.227844 16.33233 
1 1 1   -4    4    7 o  829.032   10.042  1858.50   44.986  1870.79   64.035  1846.53   63.212  831.735   14.248  826.330   14.157 5.405151 20.08494 
1 1 1   -4    4    8 o  945.661   11.377  2418.56   58.137  2432.34   82.677  2405.09   81.765  948.322   16.134  943.000   16.046 5.321960 22.75486 
1 1 1   -4    4    9 o  986.558   11.849  2629.92   63.118  2571.94   87.217  2693.66   91.458  975.166   16.551  997.949   16.960 -22.78296 23.69785 
1 1 1   -4    4   10 o  898.739   10.847  2183.39   52.663  2215.77   75.631  2152.92   73.374  905.199   15.462  892.279   15.218 12.91980 21.69474 
1 1 1   -4    4   11 o  874.513   10.571  2066.83   49.930  2030.29   69.376  2106.08   71.915  866.506   14.817  882.519   15.080 -16.01263 21.14115 
1 1 1   -4    4   12 o  583.917   7.3097  921.579   23.064  924.929   32.757  918.286   32.479  584.968   10.363  582.865   10.312 2.103394 14.61942 
1 1 1   -4    4   13 f  545.992   6.8972  805.780   20.349  805.196   28.775  806.365   28.781  545.793   9.7567  546.190   9.7515 -0.3963623 13.79439 
1 1 1   -4    4   14 o  1544.10   18.353  6460.86  153.083  6367.77  213.181  6559.97  219.963  1532.67   25.740  1555.54   26.169 -22.87268 36.70642 
1 1 1   -4    4   15 o  1205.40   14.399  3930.41   93.716  3844.32  129.501  4025.06  135.792  1191.59   20.112  1219.22   20.611 -27.62610 28.79793 
1 1 1   -4    4   16 o  666.036   8.2402  1198.99   29.648  1180.03   41.329  1219.09   42.555  660.617   11.578  671.456   11.729 -10.83862 16.48036 
1 1 1   -4    4   17 o  1590.36   18.945  6870.40  162.783  6940.74  232.735  6803.02  227.766  1598.28   26.948  1582.44   26.636 15.83301 37.89021 
1 1 1   -4    4   18 o  338.704   4.8324  310.054   8.8437  306.123   12.411  314.108   12.606  336.524   6.8248  340.884   6.8433 -4.360443 9.664811 
1 1 1   -4    4   19 o  359.593   5.0374  349.177   9.7821  338.973   13.544  360.305   14.143  354.108   7.0782  365.078   7.1693 -10.96979 10.07473 
1 1 1   -4    4   20 o  441.557   5.8508  527.192   13.960  525.745   19.716  528.646   19.770  440.949   8.2743  442.164   8.2743 -1.214600 11.70166 
1 1 1   -4    4   21 o  381.580   5.2720  392.402   10.850  373.933   14.794  413.894   15.960  371.900   7.3618  391.260   7.5486 -19.36096 10.54406 
1 1 1   -4    4   22 o  598.640   10.633  969.653   34.396   0.0000   0.0000  969.653   34.396  ?   ?   598.640   10.633      ?      ? 
1 1 1   -4    4   23 o  597.987   10.606  969.136   34.270  967.117   48.372  971.171   48.558  597.363   14.985  598.611   15.012 -1.247437 21.21110 
1 1 1   -4    4   24 o  466.152   8.6178  588.344   21.707  593.018   30.890  583.784   30.509  467.979   12.215  464.326   12.159 3.653137 17.23565 
1 1 1   -4    4   25 o  640.891   16.153  1113.74   55.940  1113.74   55.940   0.0000   0.0000  640.891   16.153  ?   ?       ?      ? 
1 1 1   -4    4   26 o  520.335   9.6039  733.053   26.998  721.622   37.732  745.045   38.647  516.185   13.527  524.485   13.636 -8.300415 19.20773 
1 1 1   -4    4   27 o  587.494   9.1842  933.916   27.408  936.036   47.766  932.875   33.466  587.786   15.039  587.203   10.547 0.5824585 18.36841 
1 1 1   -4    4   28 o  1202.52   14.436  3924.36   93.808  3919.16  132.533  3929.59  132.797  1201.72   20.409  1203.32   20.423 -1.593750 28.87292 
1 1 1   -4    4   29 f  470.723   6.2546  599.029   15.907  606.005   22.726  592.328   22.273  473.408   8.8839  468.039   8.8067 5.369385 12.50926 
1 1 1   -4    4   30 o  429.656   5.8717  499.061   13.632  495.142   19.205  503.040   19.353  427.956   8.3050  431.356   8.3027 -3.399994 11.74335 
1 1 1   -4    4   31 o  240.580   4.5576  156.415   5.9237  152.066   8.3327  160.858   8.4228  237.199   6.5011  243.961   6.3892 -6.761734 9.115156 
1 1 1   -4    4   32 o  666.539   8.3486  1201.15   30.060  1181.68   41.890  1221.82   43.162  660.977   11.728  672.101   11.884 -11.12292 16.69716 
1 1 1   -4    4   33 o  670.633   8.4023  1216.59   30.448  1220.27   43.240  1212.97   42.882  671.636   11.914  669.630   11.851 2.005798 16.80452 
1 1 1   -4    4   34 o  297.539   4.9859  239.133   8.0090  242.953   11.614  235.668   11.059  299.802   7.1689  295.277   6.9313 4.524933 9.971783 
1 1 1   -4    4   35 o  979.261   11.871  2596.59   62.800  2632.69   90.128  2562.53   87.554  985.854   16.918  972.667   16.658 13.18652 23.74277 
1 1 1   -4    4   36 o  648.329   8.1999  1136.81   28.719  1152.73   41.209  1121.76   40.045  652.737   11.683  643.922   11.509 8.814697 16.39971 
1 1 1   -4    4   37 o  210.850   5.2630  119.950   5.9898  127.705   8.6841  112.913   8.2726  217.338   7.3944  204.362   7.4913 12.97632 10.52597 
1 1 1   -4    4   38 o  717.833   12.726  1394.91   49.364   0.0000   0.0000  1394.91   49.364  ?   ?   717.833   12.726      ?      ? 
1 1 1   -4    4   39 o  553.449   7.3073  828.600   21.852  820.918   30.686  836.503   31.126  550.848   10.309  556.049   10.359 -5.200745 14.61466 
1 1 1   -4    4   40 o  209.819   5.9944  119.187   6.7890  115.345   9.7250  122.840   9.4817  206.511   8.7148  213.127   8.2331 -6.616089 11.98881 
1 1 1   -4    4   41 f  724.826   9.1158  1422.89   35.703  1417.53   50.326  1428.33   50.660  723.452   12.874  726.200   12.910 -2.747925 18.23159 
1 1 1   -4    4   42 o  1311.84   15.851  4689.67  112.316  4765.19  161.675  4619.23  156.148  1321.93   22.633  1301.75   22.198 20.17468 31.70221 
1 1 1   -4    4   43 o  779.837   9.7215  1649.05   40.966  1643.04   57.828  1655.11   58.041  778.411   13.748  781.264   13.748 -2.853210 19.44296 
1 1 1   -4    4   44 o  519.547   7.0294  730.826   19.728  741.463   28.348  720.836   27.471  523.200   10.027  515.893   9.8544 7.306335 14.05871 
1 1 1   -4    4   45 o  895.164   11.017  2179.23   53.287  2159.39   74.742  2199.74   75.992  891.043   15.523  899.286   15.638 -8.243103 22.03443 
1 1 1   -4    4   46 o  286.203   5.5702  221.317   8.6023  229.530   12.578  214.099   11.791  291.173   7.9943  281.232   7.7588 9.941254 11.14037 
1 1 1   -4    4   47 o  152.354   8.7467   62.483   6.8307   61.212   8.3809   65.000   11.789  150.204   10.326  154.503   14.121 -4.298569 17.49344 
1 1 1   -4    4   48 o  289.863   5.6589  227.291   8.8547  235.846   12.883  219.632   12.190  295.016   8.0816  284.710   7.9235 10.30563 11.31786 
1 1 1   -4    4   49 o  301.503   7.0683  251.320   10.679  234.910   18.739  259.213   12.996  293.766   11.805  309.239   7.7775 -15.47311 14.13668 
1 1 1   -4    4   50 o   71.772   12.915   15.090   5.1872   9.5534   7.7054   19.678   7.0148   60.258   20.142   83.285   16.170 -23.02620 25.82918 
1 1 1   -4    4   51 o  246.569   6.7957  164.922   8.5399  166.419   14.803  164.175   10.455  247.151   11.084  245.986   7.8655 1.164551 13.59144 
1 1 1   -4    4   52 o  269.022   7.6294  197.438   11.091  196.149   15.653  198.739   15.717  268.136   10.803  269.907   10.776 -1.771088 15.25875 
1 1 1   -4    4   53 o   83.751   14.919   20.505   6.7373   20.236   9.9110   20.736   9.1862   83.166   21.792   84.337   20.383 -1.170952 29.83882 
1 1 1   -4    4   54 o  473.006   8.2819  611.352   19.915  607.743   24.322  618.694   34.689  472.027   9.5355  473.986   13.544 -1.958160 16.56371 
1 1 1   -4    4   55 o  254.308   11.948  177.905   16.420  177.905   16.420   0.0000   0.0000  254.308   11.948  ?   ?       ?      ? 
1 1 1   -4    4   56 o  108.826   13.691   34.369   7.8266   30.923   11.281   37.568   10.868  102.183   21.128  115.470   17.417 -13.28712 27.38158 
1 1 1   -4    4   57 o  240.108   5.7257  157.527   7.4182  147.693   10.481  167.397   10.501  232.517   8.3420  247.699   7.8452 -15.18179 11.45149 
1 1 1   -4    4   58 o   59.365   13.650   10.030   5.0484   8.5776   7.3526   11.326   6.9439   56.465   19.655   62.265   18.946 -5.800091 27.29917 
1 1 1   -4    4   59 o  120.079   8.4287   40.488   5.4127   35.801   7.9008   44.634   7.4303  113.165   12.920  126.993   10.828 -13.82754 16.85746 
1 1 1   -4    4   60 o  276.355   5.6850  209.069   8.4792  214.650   12.358  204.105   11.656  279.768   8.1746  272.942   7.9026 6.826385 11.36996 
1 1 1   -4    4   61 o   63.359   13.464   11.681   5.1759   16.654   7.5567   7.2854   7.1040   73.887   18.862   52.831   19.219 21.05545 26.92862 
1 1 1   -4    4   62 o  204.886   6.1565  115.541   6.8010  120.207   10.025  111.563   9.2567  208.615   8.8933  201.157   8.5160 7.457855 12.31310 
1 1 1   -4    4   63 o   54.287   13.982   7.8470   5.3063   9.4046   7.9354   6.5873   7.1366   57.492   20.386   51.081   19.141 6.411274 27.96360 
1 1 1   -4    4   64 f  119.835   9.0338   41.203   5.8026   37.528   8.4776   44.442   7.9592  114.292   13.727  125.377   11.748 -11.08544 18.06761 
1 1 1   -4    4   65 o  133.855   8.6577   51.791   6.1535   43.250   8.9712   59.380   8.4562  122.496   13.553  145.214   10.777 -22.71754 17.31535 
1 1 1   -4    4   66 o   97.448   11.825   29.004   5.9169   40.011   8.7779   19.837   8.0102  116.724   13.917   78.171   19.121 38.55308 23.64924 
1 1 1   -4    4   67 o  189.815   7.1835  101.945   7.3259   93.205   10.594  109.954   10.142  181.478   10.803  198.152   9.4715 -16.67355 14.36710 
1 1 1   -4    4   68 o  132.729   9.0590   51.821   6.4608   58.740   9.7663   46.437   8.6154  140.466   12.867  124.992   12.756 15.47395 18.11801 
1 1 1   -4    4   69 f   42.385   13.274   0.7861   5.9802   1.8144   9.0095  -0.0237   7.9955   44.388   19.498   40.382   18.018 4.006248 26.54845 
1 1 1   -4    4   70 o  172.238   7.6238   86.961   7.0881   89.534   10.312   84.656   9.7587  174.448   10.940  170.028   10.621 4.420029 15.24769 
1 1 1   -4    5    3 o  774.131   9.4402  1619.62   39.473  1648.42   56.833  1592.79   54.865  780.769   13.471  767.492   13.229 13.27728 18.88047 
1 1 1   -4    5    4 o  806.247   9.8046  1756.64   42.694  1723.71   59.243  1792.22   61.581  798.398   13.732  814.096   13.998 -15.69812 19.60918 
1 1 1   -4    5    6 o  1352.28   16.117  4950.25  117.760  4986.17  167.848  4915.44  165.257  1357.09   22.889  1347.46   22.696 9.636841 32.23370 
1 1 1   -4    5    7 o  296.181   6.2295  237.047   9.9700  237.047   9.9700   0.0000   0.0000  296.181   6.2295  ?   ?       ?      ? 
1 1 1   -4    5    8 o  213.403   3.8177  123.012   4.4016  119.896   6.1624  126.259   6.2891  210.644   5.4139  216.162   5.3842 -5.517899 7.635423 
1 1 1   -4    5    9 o  540.404   9.6859  789.308   28.285   0.0000   0.0000  789.308   28.285  ?   ?   540.404   9.6859      ?      ? 
1 1 1   -4    5   10 o  687.317   12.004  1277.07   44.583   0.0000   0.0000  1277.07   44.583  ?   ?   687.317   12.004      ?      ? 
1 1 1   -4    5   11 o  370.687   5.1240  370.914   10.255  381.375   14.874  361.433   14.159  375.663   7.3270  365.712   7.1650 9.951538 10.24804 
1 1 1   -4    5   12 o  1373.02   16.352  5106.07  121.323  5095.52  171.234  5116.71  171.923  1371.60   23.103  1374.44   23.148 -2.843262 32.70489 
1 1 1   -4    5   13 o  1182.57   14.148  3784.40   90.380  3726.13  125.840  3846.48  129.891  1173.19   19.850  1191.95   20.167 -18.75757 28.29698 
1 1 1   -4    5   14 o  956.749   11.535  2475.45   59.614  2436.62   82.974  2516.88   85.708  949.009   16.180  964.490   16.445 -15.48090 23.07027 
1 1 1   -4    5   15 o  540.042   6.8824  788.373   20.084  783.191   28.285  793.642   28.522  538.252   9.7247  541.831   9.7416 -3.578918 13.76474 
1 1 1   -4    5   16 o  707.497   8.7109  1353.50   33.294  1333.90   46.449  1374.22   47.747  702.235   12.241  712.759   12.397 -10.52423 17.42184 
1 1 1   -4    5   17 o  1473.62   17.591  5903.17  140.064  5942.46  199.509  5864.98  196.684  1478.42   24.973  1468.82   24.781 9.600342 35.18158 
1 1 1   -4    5   18 o  437.415   5.8119  517.240   13.736  511.181   19.267  523.503   19.589  434.811   8.2000  440.019   8.2386 -5.207733 11.62390 
1 1 1   -4    5   19 o  755.966   9.2728  1546.00   37.859  1516.17   52.522  1578.27   54.622  748.394   12.987  763.538   13.239 -15.14355 18.54552 
1 1 1   -4    5   20 o  1065.80   12.831  3080.74   73.891  3052.87  103.545  3109.65  105.477  1060.91   18.062  1070.69   18.231 -9.781372 25.66297 
1 1 1   -4    5   21 o  635.127   9.6931  1092.80   31.415  1091.44   54.206  1093.48   38.549  634.583   15.808  635.671   11.222 -1.088013 19.38623 
1 1 1   -4    5   22 o  447.844   8.3369  542.888   20.175  544.820   28.662  540.991   28.402  448.631   11.823  447.057   11.757 1.574524 16.67373 
1 1 1   -4    5   23 o  181.873   5.4608   89.395   5.3649   87.500   7.4646   91.419   7.7158  179.882   7.6794  183.864   7.7659 -3.982300 10.92170 
1 1 1   -4    5   24 o  335.680   7.0423  304.659   12.774  304.659   12.774   0.0000   0.0000  335.680   7.0423  ?   ?       ?      ? 
1 1 1   -4    5   25 o  738.905   12.966  1481.44   51.763  1465.31   72.503  1498.20   73.924  734.819   18.259  742.991   18.413 -8.171753 25.93128 
1 1 1   -4    5   26 o  601.480   10.844  980.382   35.245  975.676   49.721  985.135   49.969  600.029   15.335  602.931   15.337 -2.901489 21.68840 
1 1 1   -4    5   27 o  229.695   5.6586  142.195   6.4327  143.784   11.790  141.521   7.6759  230.574   9.4624  228.817   6.2080 1.756699 11.31712 
1 1 1   -4    5   28 o  432.149   8.3098  504.934   19.405   0.0000   0.0000  504.934   19.405  ?   ?   432.149   8.3098      ?      ? 
1 1 1   -4    5   29 o  363.686   5.2772  357.443   10.368  362.278   14.868  352.866   14.466  366.078   7.5161  361.294   7.4096 4.783936 10.55435 
1 1 1   -4    5   30 o  213.561   6.3891  123.269   7.3731   0.0000   0.0000  123.269   7.3731  ?   ?   213.561   6.3891      ?      ? 
1 1 1   -4    5   31 o  1046.95   12.638  2968.60   71.492  2988.74  101.862  2949.04  100.364  1050.44   17.945  1043.46   17.800 6.978271 25.27565 
1 1 1   -4    5   32 o  1336.64   16.009  4847.24  115.624  4866.02  164.258  4828.80  162.786  1339.19   22.699  1334.08   22.581 5.101929 32.01771 
1 1 1   -4    5   33 o  721.750   8.9651  1408.41   34.947  1379.30   48.490  1439.87   50.410  714.004   12.568  729.497   12.788 -15.49219 17.93012 
1 1 1   -4    5   34 o  595.685   7.6189  959.487   24.521  947.697   34.315  971.787   35.051  591.950   10.728  599.421   10.821 -7.470886 15.23775 
1 1 1   -4    5   35 o  109.640   7.2127   32.494   4.2709   32.980   6.1594   32.043   5.9273  110.429   10.322  108.851   10.077 1.577911 14.42546 
1 1 1   -4    5   36 o  461.911   6.3403  576.673   15.821  565.373   22.044  588.676   22.719  457.250   8.9216  466.573   9.0112 -9.323822 12.68059 
1 1 1   -4    5   37 o   95.903   8.9485   24.923   4.6104   21.526   6.4306   28.515   6.6133   89.162   13.347  102.645   11.923 -13.48280 17.89708 
1 1 1   -4    5   38 o  601.852   7.7848  980.064   25.317  976.188   35.710  983.982   35.899  600.656   11.002  603.048   11.016 -2.391968 15.56952 
1 1 1   -4    5   39 o  812.302   10.051  1786.64   44.102  1755.74   61.352  1819.67   63.439  805.057   14.103  819.547   14.325 -14.48999 20.10237 
1 1 1   -4    5   40 o  1196.40   14.433  3889.19   93.305  3869.30  131.270  3909.49  132.646  1193.33   20.357  1199.47   20.465 -6.144287 28.86589 
1 1 1   -4    5   41 o  964.566   11.782  2524.04   61.391  2484.95   85.501  2565.65   88.203  956.893   16.536  972.239   16.789 -15.34668 23.56456 
1 1 1   -4    5   42 o  816.144   10.133  1805.92   44.683  1783.08   62.518  1829.77   63.887  810.884   14.268  821.405   14.394 -10.52136 20.26681 
1 1 1   -4    5   43 o  206.656   8.5855  115.567   9.5874   0.0000   0.0000  115.567   9.5874  ?   ?   206.656   8.5855      ?      ? 
1 1 1   -4    5   44 o  615.411   7.9799  1026.68   26.537  1023.90   37.511  1029.46   37.547  614.575   11.295  616.247   11.275 -1.672058 15.95987 
1 1 1   -4    5   45 o  584.235   7.6751  925.027   24.226  909.561   33.867  941.233   34.668  579.242   10.820  589.229   10.888 -9.986206 15.35017 
1 1 1   -4    5   46 o  600.550   9.5980  986.019   29.606  998.468   36.705  962.838   50.087  606.607   11.198  594.493   15.592 12.11377 19.19608 
1 1 1   -4    5   47 o  107.609   12.071   29.354   6.5579   20.633   8.0851   46.126   11.212   85.240   18.112  129.977   15.964 -44.73702 24.14268 
1 1 1   -4    5   48 o  564.420   9.3518  853.044   26.110  904.730   48.399  831.827   31.009  575.380   15.567  553.459   10.368 21.92084 18.70364 
1 1 1   -4    5   49 o  440.478   6.3702  526.110   15.145  537.802   22.048  515.666   20.839  445.070   9.1674  435.887   8.8474 9.183319 12.74034 
1 1 1   -4    5   50 o  245.241   5.6166  163.046   7.4327  165.092   10.830  161.224   10.220  246.671   8.1246  243.810   7.7572 2.861465 11.23315 
1 1 1   -4    5   51 o  434.047   8.7972  514.588   20.630  522.748   29.481  506.757   28.880  437.406   12.473  430.689   12.409 6.717773 17.59442 
1 1 1   -4    5   52 o  341.965   7.9414  318.421   14.648  337.162   21.523  302.252   19.991  351.270   11.339  332.659   11.121 18.61118 15.88272 
1 1 1   -4    5   53 o  211.527   5.9600  121.918   6.7903  110.134   9.5638  133.895   9.6425  201.139   8.7992  221.915   8.0411 -20.77588 11.91996 
1 1 1   -4    5   54 o  213.853   8.3474  124.864   9.6124  111.239   13.146  140.518   14.091  201.298   12.086  226.408   11.518 -25.11050 16.69485 
1 1 1   -4    5   55 f  204.568   13.647  115.856   15.086  115.856   15.086   0.0000   0.0000  204.568   13.647  ?   ?       ?      ? 
1 1 1   -4    5   56 o  168.375   15.280   79.189   13.903   79.189   13.903   0.0000   0.0000  168.375   15.280  ?   ?       ?      ? 
1 1 1   -4    5   57 o  229.871   5.8018  143.817   7.1767  150.329   10.737  138.559   9.6485  234.470   8.4746  225.272   7.9262 9.198410 11.60363 
1 1 1   -4    5   58 o  348.659   5.8595  332.755   11.036  329.362   15.767  336.014   15.452  346.849   8.4122  350.470   8.1591 -3.621094 11.71900 
1 1 1   -4    5   59 o  143.432   7.4968   56.568   5.7890   63.647   8.5566   50.593   7.8613  151.706   10.438  135.158   10.764 16.54817 14.99353 
1 1 1   -4    5   60 o  197.498   6.1872  107.917   6.5562   99.328   9.5999  115.426   8.9754  189.841   9.3582  205.156   8.0962 -15.31508 12.37430 
1 1 1   -4    5   61 o  277.886   5.7003  211.280   8.5365  224.171   12.653  200.512   11.565  285.552   8.2004  270.220   7.9200 15.33154 11.40061 
1 1 1   -4    5   62 o  146.797   7.5343   60.798   5.8973   54.758   8.7881   65.746   7.9541  139.635   11.647  153.960   9.5609 -14.32545 15.06859 
1 1 1   -4    5   63 o  124.416   8.6421   44.077   5.7405   40.304   8.5550   47.167   7.7424  119.040   13.300  129.792   11.039 -10.75193 17.28419 
1 1 1   -4    5   64 o   82.644   12.437   20.334   5.5902   31.209   8.4464   11.857   7.4571  103.458   15.108   61.830   19.760 41.62757 24.87452 
1 1 1   -4    5   65 o  117.224   9.7196   40.517   6.0220   34.851   9.0341   45.048   8.0786  108.713   15.379  125.734   11.890 -17.02163 19.43911 
1 1 1   -4    5   66 o   60.069   14.641   11.142   5.8071   14.482   8.6615   8.4141   7.8268   66.153   21.313   53.985   20.081 12.16822 29.28281 
1 1 1   -4    5   67 o  124.972   9.7198   45.904   6.4735   42.104   9.6993   48.956   8.6930  119.374   15.036  130.570   12.321 -11.19567 19.43956 
1 1 1   -4    5   68 o   41.779   13.173  -0.3776   6.1840   5.3844   9.0798  -5.3627   8.4456   47.998   20.304   35.560   16.788 12.43875 26.34560 
1 1 1   -4    5   69 o   40.986   12.949  -0.0771   5.9142  -2.6019   8.7882   2.0128   7.9956   39.217   18.040   42.754   18.582 -3.537289 25.89818 
1 1 1   -4    6    2 o  656.605   8.1381  1164.98   28.866  1182.67   41.438  1148.29   40.234  661.445   11.594  651.764   11.424 9.680542 16.27627 
1 1 1   -4    6    5 o  1244.13   14.859  4185.02   99.827  4093.17  138.087  4285.58  144.484  1229.87   20.778  1258.40   21.248 -28.52942 29.71872 
1 1 1   -4    6    6 o  1101.04   18.660  3279.61  111.023   0.0000   0.0000  3279.61  111.023  ?   ?   1101.04   18.660      ?      ? 
1 1 1   -4    6    8 o  1076.97   12.936  3137.71   75.280  3154.54  107.051  3121.24  105.882  1079.83   18.346  1074.12   18.242 5.707397 25.87216 
1 1 1   -4    6    9 o  1053.94   12.678  3005.09   72.202  3015.14  102.526  2995.20  101.698  1055.68   17.973  1052.19   17.887 3.489502 25.35648 
1 1 1   -4    6   10 o  828.287   10.080  1855.33   45.115  1857.23   63.967  1853.45   63.640  828.708   14.285  827.867   14.226 0.8409424 20.15999 
1 1 1   -4    6   11 o  734.151   9.0128  1457.35   35.754  1462.69   50.788  1452.11   50.342  735.481   12.779  732.820   12.713 2.660889 18.02561 
1 1 1   -4    6   12 o  253.436   4.1900  173.584   5.7375  172.399   8.1593  174.744   8.0696  252.579   5.9781  254.293   5.8726 -1.713333 8.380075 
1 1 1   -4    6   13 o  1489.91   17.729  6017.70  142.738  6014.30  201.765  6021.11  201.959  1489.49   25.068  1490.33   25.078 -0.8416748 35.45869 
1 1 1   -4    6   14 o  646.489   8.0745  1128.99   28.185  1157.33   40.860  1103.27   38.928  654.213   11.558  638.764   11.278 15.44928 16.14891 
1 1 1   -4    6   15 o  177.188   3.9560   84.894   3.7857   82.702   5.3946   87.021   5.3138  174.933   5.7070  179.444   5.4801 -4.511398 7.912086 
1 1 1   -4    6   16 o  478.228   6.2535  618.348   16.159  612.955   22.695  623.893   23.013  476.114   8.8212  480.342   8.8662 -4.227264 12.50692 
1 1 1   -4    6   17 o  616.170   7.7363  1027.08   25.758  1020.19   36.282  1034.08   36.574  614.088   10.934  618.251   10.948 -4.163330 15.47256 
1 1 1   -4    6   18 o  1066.54   12.851  3084.27   74.052  3118.06  105.840  3051.87  103.646  1072.24   18.267  1060.84   18.081 11.40234 25.70212 
1 1 1   -4    6   19 o  251.410   4.2793  170.866   5.8116  170.163   8.3200  171.536   8.1214  250.903   6.1366  251.917   5.9660 -1.013458 8.558690 
1 1 1   -4    6   20 o  668.033   10.170  1205.45   34.509  1218.92   60.281  1198.88   42.088  670.508   16.637  665.558   11.703 4.950012 20.34094 
1 1 1   -4    6   21 o  499.196   9.1033  674.773   24.555  675.000   34.839  674.549   34.616  499.276   12.913  499.116   12.835 0.1599121 18.20657 
1 1 1   -4    6   22 o  425.089   8.0239  488.896   18.426  479.054   25.690  499.324   26.443  420.689   11.301  429.490   11.394 -8.801544 16.04786 
1 1 1   -4    6   23 o  458.133   7.6176  558.673   17.389  544.458   20.759  592.117   31.841  448.665   8.5623  467.601   12.602 -18.93576 15.23517 
1 1 1   -4    6   24 o  290.932   6.8898  228.631   10.819  236.036   15.758  222.027   14.881  295.377   9.8728  286.488   9.6127 8.889832 13.77954 
1 1 1   -4    6   25 o  222.656   6.6185  134.126   7.9613  131.419   11.291  136.802   11.227  220.418   9.4796  224.893   9.2387 -4.475372 13.23692 
1 1 1   -4    6   26 o  714.795   10.902  1384.19   39.597  1384.46   68.926  1384.05   48.377  714.514   17.852  715.077   12.520 -0.5629272 21.80443 
1 1 1   -4    6   27 o  453.079   6.0948  554.594   14.914  541.272   20.681  569.029   21.527  447.417   8.5541  458.740   8.6842 -11.32288 12.18964 
1 1 1   -4    6   28 o  1165.27   14.002  3682.24   88.149  3642.79  123.302  3723.49  126.067  1158.91   19.689  1171.63   19.912 -12.71399 28.00315 
1 1 1   -4    6   29 o  864.577   10.558  2023.18   49.316  2000.96   69.004  2046.38   70.507  859.734   14.853  869.419   15.008 -9.684570 21.11518 
1 1 1   -4    6   30 o  1240.54   14.880  4172.58   99.744  4170.19  140.971  4174.98  141.147  1240.19   21.036  1240.89   21.050 -0.7097168 29.75900 
1 1 1   -4    6   31 o  1053.34   12.709  3004.37   72.321  2963.11  100.871  3048.00  103.744  1045.92   17.848  1060.76   18.099 -14.83862 25.41882 
1 1 1   -4    6   32 o  340.791   5.2303  313.659   9.6275  302.877   13.392  325.190   13.850  334.736   7.4040  346.847   7.3896 -12.11096 10.46066 
1 1 1   -4    6   33 o  523.568   6.8754  741.256   19.452  740.487   27.579  742.018   27.439  523.297   9.7532  523.840   9.6934 -0.5430298 13.75090 
1 1 1   -4    6   34 o  708.662   8.8479  1358.54   33.878  1343.29   47.485  1374.35   48.349  704.615   12.472  712.708   12.554 -8.092896 17.69589 
1 1 1   -4    6   35 o  395.177   5.7942  422.224   12.372  417.701   17.494  426.751   17.501  393.057   8.2366  397.296   8.1517 -4.238068 11.58847 
1 1 1   -4    6   36 o  183.443   5.5716   91.029   5.5201   89.182   7.8802   92.809   7.7351  181.612   8.0298  185.274   7.7261 -3.661819 11.14320 
1 1 1   -4    6   37 o  842.995   10.381  1923.42   47.261  1881.50   65.472  1969.01   68.292  833.435   14.538  852.554   14.824 -19.11884 20.76262 
1 1 1   -4    6   38 o  192.079   5.9958   99.805   6.2196   98.657   8.9196  100.891   8.6770  191.001   8.6421  193.158   8.3133 -2.156769 11.99152 
1 1 1   -4    6   39 o  657.068   8.3977  1168.18   29.807  1147.14   41.513  1190.57   42.824  650.972   11.801  663.165   11.950 -12.19226 16.79538 
1 1 1   -4    6   40 o  463.253   6.5914  580.541   16.500  580.836   23.341  580.246   23.328  463.371   9.3218  463.135   9.3213 0.2353821 13.18271 
1 1 1   -4    6   41 o  550.611   7.3422  820.160   21.837  802.072   30.365  839.534   31.426  544.333   10.323  556.888   10.443 -12.55450 14.68444 
1 1 1   -4    6   42 o  377.180   5.9980  384.547   12.219  371.938   16.988  398.064   17.589  370.780   8.4789  383.581   8.4859 -12.80103 11.99592 
1 1 1   -4    6   43 o  403.615   6.1390  440.926   13.388  435.232   18.876  446.690   18.993  400.990   8.7114  406.239   8.6522 -5.249359 12.27792 
1 1 1   -4    6   44 o  256.806   5.7302  178.747   7.9390  172.998   11.440  184.088   11.027  252.802   8.3743  260.810   7.8239 -8.008224 11.46046 
1 1 1   -4    6   45 o  552.265   9.0162  835.869   25.753  855.979   32.282  800.676   42.706  561.899   10.632  542.631   14.565 19.26788 18.03248 
1 1 1   -4    6   46 o  726.041   11.285  1437.86   41.777  1437.99   51.237  1437.61   72.158  727.230   13.038  724.853   18.422 2.376587 22.56961 
1 1 1   -4    6   47 o  175.591   8.9091   87.767   7.3442   75.878   14.035   92.250   8.6184  166.704   15.580  184.479   8.6455 -17.77577 17.81821 
1 1 1   -4    6   48 o  466.482   8.2967  586.302   19.202  606.531   35.207  577.737   22.909  471.529   13.818  461.434   9.1877 10.09473 16.59347 
1 1 1   -4    6   49 o  439.720   6.3869  524.915   15.167  529.423   21.865  520.735   21.056  441.506   9.1650  437.934   8.8978 3.571899 12.77371 
1 1 1   -4    6   50 o  250.248   7.6032  170.079   10.268  178.198   15.004  162.928   14.081  255.834   10.853  244.662   10.651 11.17247 15.20643 
1 1 1   -4    6   51 o  129.763   10.376   46.224   7.2451   52.117   10.437   40.743   10.065  137.834   14.013  121.692   15.306 16.14206 20.75230 
1 1 1   -4    6   52 o  191.426   7.1518   98.913   7.2255   95.343   9.1996  104.662   11.673  187.136   9.0976  195.717   11.038 -8.581299 14.30365 
1 1 1   -4    6   53 o  310.498   5.5944  261.798   9.3700  267.468   13.721  256.843   12.826  313.598   8.0972  307.397   7.7216 6.200409 11.18874 
1 1 1   -4    6   54 o  357.802   8.2413  351.220   15.925  345.270   22.091  357.658   22.979  354.711   11.526  360.892   11.783 -6.181274 16.48266 
1 1 1   -4    6   55 o  419.131   12.713  485.135   28.793   0.0000   0.0000  485.135   28.793  ?   ?   419.131   12.713      ?      ? 
1 1 1   -4    6   56 o  252.249   12.487  175.946   17.021  175.946   17.021   0.0000   0.0000  252.249   12.487  ?   ?       ?      ? 
1 1 1   -4    6   57 o  105.752   9.5367   31.107   5.4419   33.280   7.9366   29.179   7.4759  109.238   13.445  102.266   13.528 6.971535 19.07338 
1 1 1   -4    6   58 o  107.606   9.2001   32.117   5.3326   34.947   7.9322   29.783   7.2033  111.876   13.121  103.337   12.900 8.539803 18.40026 
1 1 1   -4    6   59 o  201.413   6.0724  110.757   6.5836  118.610   9.8506  104.418   8.8508  207.757   8.7745  195.070   8.3966 12.68677 12.14470 
1 1 1   -4    6   60 o   57.673   13.196   9.3310   5.1132   3.2397   7.6576   14.232   6.8689   46.682   19.099   68.664   18.214 -21.98170 26.39126 
1 1 1   -4    6   61 o   57.547   13.148   8.9696   5.2694   1.4138   7.7426   15.489   7.1920   43.905   18.669   71.190   18.520 -27.28538 26.29635 
1 1 1   -4    6   62 o  314.341   5.8348  271.917   9.8908  279.399   14.533  265.460   13.500  318.210   8.4517  310.473   8.0467 7.736938 11.66964 
1 1 1   -4    6   63 o  152.690   7.5891   65.128   6.2341   66.135   9.2874   64.303   8.4104  153.533   11.194  151.846   10.250 1.687454 15.17826 
1 1 1   -4    6   64 o  190.425   6.6497  100.195   6.8020  108.489   10.321   93.828   9.0437  197.158   9.6882  183.692   9.1111 13.46564 13.29934 
1 1 1   -4    6   65 o   86.434   12.814   23.534   5.7532   24.045   8.7324   23.141   7.6475   86.551   19.176   86.316   17.001 0.2353973 25.62709 
1 1 1   -4    6   66 o  114.874   10.115   39.677   6.0728   32.814   9.2328   44.910   8.0622  104.498   16.351  125.251   11.912 -20.75298 20.22980 
1 1 1   -4    6   67 o  253.679   6.2940  180.034   8.5983  180.639   12.696  179.521   11.686  253.712   9.2608  253.646   8.5262 0.6634521E-01 12.58802 
1 1 1   -4    6   68 o  123.081   10.001   47.341   6.4332   38.348   9.6197   54.617   8.6528  110.042   16.178  136.120   11.764 -26.07793 20.00252 
1 1 1   -4    6   69 o   37.320   12.230  -3.3276   5.8062  -0.7376   8.8247  -5.3048   7.7101   40.640   18.459   34.001   16.049 6.639744 24.45996 
1 1 1   -4    7    5 o  289.870   4.4939  227.006   7.0381  229.946   10.059  224.186   9.8508  291.708   6.3815  288.032   6.3291 3.676178 8.987845 
1 1 1   -4    7    6 o  1015.81   12.223  2790.56   67.079  2754.15   93.604  2828.99   96.174  1009.01   17.168  1022.61   17.405 -13.60034 24.44691 
1 1 1   -4    7    7 o  778.082   9.5329  1637.01   40.080  1629.59   56.471  1644.55   56.896  776.306   13.462  779.858   13.501 -3.552185 19.06589 
1 1 1   -4    7    9 o  814.646   9.9309  1794.80   43.716  1801.52   62.095  1788.19   61.555  816.157   14.080  813.136   14.009 3.020691 19.86189 
1 1 1   -4    7   10 o  326.744   6.8301  288.521   12.059   0.0000   0.0000  288.521   12.059  ?   ?   326.744   6.8301      ?      ? 
1 1 1   -4    7   11 o  533.968   6.8504  770.730   19.766  771.469   28.052  770.001   27.854  534.221   9.7175  533.714   9.6582 0.5069580 13.70080 
1 1 1   -4    7   12 o  344.770   7.0324  321.250   13.101   0.0000   0.0000  321.250   13.101  ?   ?   344.770   7.0324      ?      ? 
1 1 1   -4    7   13 o  875.070   10.626  2072.17   50.240  2090.01   71.691  2054.95   70.426  878.763   15.097  871.376   14.957 7.387268 21.25182 
1 1 1   -4    7   14 o  236.777   4.2224  151.531   5.4022  149.716   7.6387  153.347   7.6409  235.358   6.0062  238.197   5.9364 -2.838287 8.444860 
1 1 1   -4    7   15 o  915.674   11.107  2271.14   54.952  2255.63   77.193  2287.08   78.245  912.513   15.655  918.836   15.759 -6.323547 22.21311 
1 1 1   -4    7   16 o  558.219   7.1416  842.661   21.537  851.596   30.853  834.170   30.078  561.100   10.176  555.339   10.023 5.761047 14.28321 
1 1 1   -4    7   17 o  362.858   5.1900  355.827   10.175  347.689   14.235  364.327   14.548  358.617   7.3459  367.098   7.3338 -8.481018 10.38009 
1 1 1   -4    7   18 f  430.039   5.8141  500.004   13.510  494.272   18.976  505.897   19.239  427.540   8.2135  432.538   8.2313 -4.997650 11.62824 
1 1 1   -4    7   19 f  273.602   6.1503  202.489   9.0909  198.559   12.894  206.374   12.820  270.958   8.8061  276.246   8.5881 -5.287659 12.30052 
1 1 1   -4    7   20 o  1027.48   17.578  2875.93   97.591  2891.89  138.892  2860.36  137.153  1030.27   24.948  1024.70   24.770 5.571289 35.15610 
1 1 1   -4    7   21 o  540.718   9.7692  791.731   28.535  776.576   39.726  807.883   41.012  535.385   13.732  546.052   13.899 -10.66650 19.53842 
1 1 1   -4    7   22 o  724.284   11.053  1415.11   40.450  1402.09   49.053  1442.79   71.506  719.547   12.616  729.021   18.152 -9.473999 22.10513 
1 1 1   -4    7   23 o  341.362   7.4016  315.289   13.652  311.036   19.248  319.595   19.367  339.044   10.506  343.680   10.428 -4.636719 14.80311 
1 1 1   -4    7   24 o  422.347   8.3326  482.577   19.012  471.396   26.536  494.369   27.252  417.324   11.767  427.370   11.801 -10.04572 16.66514 
1 1 1   -4    7   25 o  717.867   10.941  1399.86   40.056  1385.36   69.026  1407.22   49.185  714.719   17.873  721.015   12.624 -6.295959 21.88142 
1 1 1   -4    7   26 o  914.740   11.121  2266.54   54.969  2253.21   77.331  2280.15   78.152  912.028   15.691  917.453   15.764 -5.424927 22.24240 
1 1 1   -4    7   27 o  518.025   6.7826  725.600   18.984  717.571   26.630  733.896   27.071  515.113   9.5672  520.937   9.6167 -5.824036 13.56513 
1 1 1   -4    7   28 o  1488.82   17.798  6023.03  143.181  5985.19  201.151  6061.90  203.853  1484.11   25.082  1493.53   25.259 -9.420044 35.59695 
1 1 1   -4    7   29 o  704.058   8.7786  1340.86   33.396  1330.74   46.940  1351.24   47.525  701.369   12.385  706.747   12.444 -5.377991 17.55722 
1 1 1   -4    7   30 o  733.413   9.1084  1454.31   36.083  1426.21   50.165  1484.44   51.940  726.084   12.786  740.743   12.976 -14.65918 18.21688 
1 1 1   -4    7   31 o  108.849   6.7217   32.476   3.8740   25.050   5.4829   39.878   5.4743   96.244   10.543  121.453   8.3413 -25.20901 13.44335 
1 1 1   -4    7   32 o  329.221   5.2189  292.926   9.2832  286.565   13.037  299.468   13.222  325.596   7.4101  332.846   7.3511 -7.250549 10.43779 
1 1 1   -4    7   33 o  917.524   11.182  2279.39   55.437  2262.03   77.867  2297.22   78.944  913.990   15.766  921.059   15.861 -7.069275 22.36419 
1 1 1   -4    7   34 o  672.686   8.4786  1224.13   30.816  1233.06   43.990  1215.54   43.181  675.087   12.059  670.285   11.922 4.801575 16.95723 
1 1 1   -4    7   35 o  347.025   5.5019  325.622   10.316  321.371   14.622  329.836   14.556  344.768   7.8487  349.283   7.7124 -4.515350 11.00378 
1 1 1   -4    7   36 o  436.596   6.2200  515.436   14.673  519.353   20.939  511.658   20.566  438.223   8.8426  434.969   8.7499 3.254456 12.43997 
1 1 1   -4    7   37 o  646.332   8.2760  1130.05   28.897  1110.41   40.313  1150.81   41.444  640.562   11.646  652.102   11.761 -11.54041 16.55196 
1 1 1   -4    7   38 o  320.254   5.6686  276.959   9.8028  265.188   13.577  289.777   14.168  313.156   8.0236  327.352   8.0095 -14.19672 11.33713 
1 1 1   -4    7   39 o  1011.23   12.313  2771.24   67.220  2705.04   92.752  2844.48   97.558  998.573   17.189  1023.88   17.633 -25.30579 24.62503 
1 1 1   -4    7   40 o  529.581   7.1524  759.025   20.468  754.550   28.943  763.502   28.948  528.017   10.144  531.145   10.086 -3.128113 14.30489 
1 1 1   -4    7   41 o  504.635   6.9371  688.700   18.908  672.312   26.250  706.371   27.258  498.407   9.7466  510.864   9.8741 -12.45703 13.87424 
1 1 1   -4    7   42 o  319.804   5.7258  276.702   9.8928  269.045   13.934  284.483   14.047  315.339   8.1774  324.269   8.0168 -8.930023 11.45164 
1 1 1   -4    7   43 o  197.975   6.2589  106.075   6.6936  109.916   9.5557  102.375   9.3790  201.495   8.7763  194.454   8.9259 7.040878 12.51777 
1 1 1   -4    7   44 o  382.793   6.0420  396.742   12.497  393.126   17.701  400.335   17.646  381.050   8.5966  384.537   8.4923 -3.487396 12.08391 
1 1 1   -4    7   45 o  171.787   8.2633   80.964   7.3672   83.367   9.2902   76.892   12.093  175.375   9.8033  168.200   13.305 7.175629 16.52670 
1 1 1   -4    7   46 o  399.298   7.6606  434.138   15.377  429.279   27.234  436.411   18.631  397.300   12.685  401.297   8.5919 -3.996277 15.32125 
1 1 1   -4    7   47 o  465.032   8.2160  591.393   19.357  577.928   33.671  598.039   23.657  460.538   13.530  469.526   9.3242 -8.987122 16.43199 
1 1 1   -4    7   48 o  421.433   6.2499  481.942   14.223  482.531   20.493  481.394   19.757  421.648   8.9945  421.217   8.6800 0.4315491 12.49972 
1 1 1   -4    7   49 o   86.087   14.936   21.335   6.8809   22.178   10.137   20.615   9.3699   87.613   21.559   84.560   20.678 3.053627 29.87294 
1 1 1   -4    7   50 o  252.347   7.6928  173.304   10.474  160.405   14.583  187.049   15.054  242.610   11.123  262.084   10.629 -19.47331 15.38555 
1 1 1   -4    7   51 o  432.759   7.7361  509.915   17.227  507.055   21.306  515.315   29.277  431.674   9.1341  433.844   12.488 -2.169861 15.47210 
1 1 1   -4    7   52 o  321.219   5.6945  280.607   9.8810  275.283   14.063  285.798   13.886  318.177   8.1794  324.261   7.9252 -6.083435 11.38906 
1 1 1   -4    7   53 o  298.957   5.6447  242.645   9.1033  250.714   13.346  235.625   12.449  303.557   8.1361  294.357   7.8267 9.199890 11.28947 
1 1 1   -4    7   54 o   70.422   17.322   13.400   7.9987   13.791   12.390   13.122   10.474   71.825   25.473   69.019   23.481 2.806534 34.64373 
1 1 1   -4    7   55 o  202.962   12.326  113.694   13.518   0.0000   0.0000  113.694   13.518  ?   ?   202.962   12.326      ?      ? 
1 1 1   -4    7   56 o  233.857   9.0284  149.985   11.294  162.815   17.503  140.833   14.783  242.041   13.383  225.674   12.122 16.36684 18.05673 
1 1 1   -4    7   57 o  121.440   10.035   41.413   6.5107   41.919   8.6250   40.743   9.9265  122.651   13.014  120.228   15.279 2.422699 20.07015 
1 1 1   -4    7   58 o  121.185   8.4490   40.290   5.4942   46.223   8.3777   35.812   7.2778  128.882   12.029  113.487   11.868 15.39503 16.89808 
1 1 1   -4    7   59 o   51.778   13.597   6.5793   5.0750   5.6204   7.6006   7.3507   6.8173   50.699   19.572   52.856   18.879 -2.157391 27.19332 
1 1 1   -4    7   60 f  243.317   5.8352  162.429   7.6469  165.898   11.331  159.528   10.362  245.554   8.5398  241.081   7.9543 4.473099 11.67047 
1 1 1   -4    7   61 o  131.650   8.1417   47.758   5.7424   55.443   8.8395   42.147   7.5534  140.611   11.634  122.688   11.393 17.92292 16.28349 
1 1 1   -4    7   62 o  243.772   6.0471  164.320   7.9460  159.691   11.547  168.484   10.951  240.294   8.8929  247.251   8.1967 -6.956345 12.09419 
1 1 1   -4    7   63 o  159.366   7.4977   71.035   6.4088   72.239   9.6988   70.102   8.5384  160.233   11.202  158.500   9.9692 1.732376 14.99533 
1 1 1   -4    7   64 o  141.932   8.3435   57.206   6.3459   56.536   9.5655   57.733   8.4811  140.729   12.579  143.134   10.965 -2.404648 16.68708 
1 1 1   -4    7   65 o  188.287   6.9299  100.192   7.0056   97.187   10.412  102.677   9.4699  185.206   10.403  191.368   9.1577 -6.161636 13.85986 
1 1 1   -4    7   66 o   79.359   13.874   20.415   5.8972   19.563   8.8948   21.083   7.8774   77.056   20.854   81.663   18.304 -4.606087 27.74745 
1 1 1   -4    7   67 o   49.833   14.186   6.0324   5.8391   9.1879   8.9790   3.7200   7.6864   54.821   21.242   44.845   18.809 9.975857 28.37291 
1 1 1   -4    7   68 o  159.257   8.0679   74.022   6.8857   70.841   10.258   76.631   9.2896  155.300   12.224  163.214   10.533 -7.914352 16.13575 
1 1 1   -4    7   69 o  105.705   10.932   34.756   6.1860   40.962   9.5502   30.271   8.1195  113.582   15.560   97.828   15.360 15.75420 21.86407 
1 1 1   -4    8    3 o  231.946   4.2812  145.386   5.3651  142.381   7.5730  148.413   7.6020  229.540   6.1055  234.353   6.0030 -4.812775 8.562316 
1 1 1   -4    8    5 o  940.145   11.385  2390.53   57.824  2420.21   82.850  2362.34   80.742  945.825   16.210  934.464   15.990 11.36035 22.76969 
1 1 1   -4    8    6 o  1728.87   29.075  8110.75  271.626   0.0000   0.0000  8110.75  271.626  ?   ?   1728.87   29.075      ?      ? 
1 1 1   -4    8    8 o  538.247   6.9174  782.979   20.117  773.445   28.172  792.899   28.736  534.905   9.7464  541.589   9.8189 -6.683350 13.83485 
1 1 1   -4    8    9 o  578.942   7.3587  905.875   23.017  893.336   32.167  919.030   32.947  574.840   10.356  583.044   10.458 -8.204590 14.71745 
1 1 1   -4    8   10 o  553.612   7.0818  828.612   21.186  826.656   29.953  830.571   29.968  552.958   10.025  554.267   10.006 -1.308533 14.16369 
1 1 1   -4    8   12 o  352.688   5.1041  335.956   9.7230  326.121   13.509  346.529   14.006  347.337   7.1974  358.039   7.2391 -10.70212 10.20816 
1 1 1   -4    8   13 o  446.678   5.9935  539.276   14.462  547.263   20.770  531.760   20.149  449.884   8.5437  443.471   8.4079 6.413055 11.98699 
1 1 1   -4    8   14 o  517.301   6.7090  723.387   18.748  710.080   26.135  737.495   26.910  512.405   9.4390  522.198   9.5365 -9.792786 13.41790 
1 1 1   -4    8   15 o  547.742   7.0382  811.467   20.830  815.655   29.669  807.395   29.252  549.133   9.9984  546.351   9.9084 2.781921 14.07636 
1 1 1   -4    8   16 o  283.610   4.6315  217.234   7.0944  208.403   9.8764  226.649   10.197  277.659   6.5826  289.560   6.5172 -11.90140 9.263091 
1 1 1   -4    8   17 f  1110.22   16.458  3336.42   92.382  3398.65  163.027  3306.98  112.121  1116.53   27.021  1103.92   18.796 12.60364 32.91539 
1 1 1   -4    8   18 o  991.238   16.988  2674.45   90.991  2684.69  129.332  2664.41  128.040  993.093   24.101  989.383   23.949 3.709961 33.97664 
1 1 1   -4    8   19 o   71.892   9.7851   15.637   3.6318   7.4842   5.4201   22.279   4.8925   53.039   16.836   90.745   9.9775 -37.70615 19.57013 
1 1 1   -4    8   20 o  392.489   7.8801  416.592   16.713   0.0000   0.0000  416.592   16.713  ?   ?   392.489   7.8801      ?      ? 
1 1 1   -4    8   21 o  480.695   9.1552  625.766   23.780  627.928   33.803  623.649   33.459  481.513   12.991  479.877   12.903 1.635803 18.31034 
1 1 1   -4    8   22 o  827.783   14.435  1860.14   64.529  1821.17   89.425  1902.48   93.210  818.789   20.211  836.776   20.614 -17.98712 28.86943 
1 1 1   -4    8   23 o  526.756   9.8169  751.335   27.936  760.586   40.048  742.568   38.988  529.903   13.986  523.608   13.780 6.294861 19.63387 
1 1 1   -4    8   24 o  464.409   7.7013  590.817   18.374  559.459   30.831  608.087   22.881  454.629   12.550  474.190   8.9296 -19.56085 15.40257 
1 1 1   -4    8   25 o  845.279   10.348  1934.56   47.261  1917.21   66.294  1952.49   67.394  841.433   14.580  849.125   14.688 -7.692505 20.69595 
1 1 1   -4    8   26 o  595.773   7.5973  960.109   24.458  956.216   34.522  964.033   34.656  594.560   10.745  596.986   10.743 -2.425354 15.19453 
1 1 1   -4    8   27 o  612.769   7.7929  1015.52   25.802  1006.03   36.238  1025.29   36.747  609.866   10.996  615.673   11.046 -5.807129 15.58582 
1 1 1   -4    8   28 o  387.595   5.5951  406.065   11.718  401.410   16.478  410.828   16.667  385.349   7.9136  389.843   7.9117 -4.494110 11.19017 
1 1 1   -4    8   29 o  606.013   7.7426  992.826   25.346  1005.74   36.415  980.686   35.300  609.831   11.051  602.196   10.848 7.634827 15.48525 
1 1 1   -4    8   30 o  636.706   8.0717  1096.24   27.764  1107.81   39.784  1085.25   38.765  639.976   11.504  633.436   11.325 6.539917 16.14339 
1 1 1   -4    8   31 o  313.256   7.2320  265.250   12.242   0.0000   0.0000  265.250   12.242  ?   ?   313.256   7.2320      ?      ? 
1 1 1   -4    8   32 f  897.958   10.974  2180.54   53.198  2124.68   73.345  2242.54   77.275  885.863   15.322  910.053   15.714 -24.19073 21.94742 
1 1 1   -4    8   33 o  469.847   6.4404  596.761   16.345  602.008   23.482  591.828   22.766  471.846   9.2099  467.848   9.0053 3.998199 12.88086 
1 1 1   -4    8   34 o  509.921   6.8469  702.833   18.860  687.261   26.276  719.382   27.088  504.100   9.6460  515.742   9.7199 -11.64200 13.69385 
1 1 1   -4    8   35 o  471.804   6.5205  600.993   16.607  578.995   22.868  625.541   24.157  462.689   9.1465  480.919   9.2957 -18.23062 13.04104 
1 1 1   -4    8   36 o  1303.86   15.694  4617.65  110.526  4540.52  153.649  4700.35  159.108  1292.65   21.997  1315.07   22.390 -22.41931 31.38762 
1 1 1   -4    8   37 o  365.525   5.8585  361.034   11.567  348.882   16.115  373.951   16.613  359.184   8.3026  371.866   8.2677 -12.68231 11.71701 
1 1 1   -4    8   38 o  253.054   5.8325  172.974   7.9691  163.727   11.078  182.892   11.472  246.050   8.3321  260.058   8.1637 -14.00739 11.66491 
1 1 1   -4    8   39 o  556.177   7.4247  836.357   22.302  813.479   30.926  861.147   32.192  548.265   10.439  564.089   10.561 -15.82397 14.84932 
1 1 1   -4    8   40 o  965.769   11.821  2532.73   61.686  2540.01   87.654  2525.59   86.827  967.127   16.773  964.411   16.661 2.715759 23.64130 
1 1 1   -4    8   41 o  307.066   5.7959  254.428   9.6042  238.737   13.219  271.970   13.977  297.063   8.2351  317.070   8.1579 -20.00644 11.59173 
1 1 1   -4    8   42 o  499.208   6.9006  674.442   18.608  656.978   25.892  693.095   26.760  492.533   9.7286  505.883   9.7891 -13.34961 13.80112 
1 1 1   -4    8   43 o  449.869   6.5290  547.722   15.867  532.587   22.112  563.788   22.780  443.468   9.2273  456.271   9.2396 -12.80371 13.05803 
1 1 1   -4    8   44 o  475.289   8.2752  614.116   20.102  616.623   24.732  609.234   34.507  477.050   9.5940  473.528   13.486 3.521790 16.55036 
1 1 1   -4    8   45 o  495.864   6.9184  666.789   18.536  661.784   26.317  671.716   26.112  494.004   9.8588  497.724   9.7087 -3.720825 13.83675 
1 1 1   -4    8   46 o  606.977   9.8815  1002.02   30.208  1009.23   53.538  998.654   36.588  607.645   16.305  606.309   11.168 1.335571 19.76296 
1 1 1   -4    8   47 o  194.042   6.2745  102.337   6.5624   98.738   9.5217  105.593   9.0570  190.754   9.2375  197.330   8.4938 -6.576340 12.54893 
1 1 1   -4    8   48 o  255.862   7.6402  177.962   10.554  182.950   15.311  173.446   14.569  259.252   10.930  252.471   10.679 6.781586 15.28047 
1 1 1   -4    8   49 o  285.020   7.5819  221.079   11.673  223.153   16.755  219.122   16.273  286.298   10.830  283.742   10.614 2.555359 15.16373 
1 1 1   -4    8   50 o  248.416   6.7627  166.909   8.7793  164.033   11.043  171.847   14.473  245.740   8.3164  251.092   10.667 -5.352814 13.52543 
1 1 1   -4    8   51 o  173.323   6.5290   81.751   6.1068   82.753   8.8920   80.857   8.4014  174.296   9.4412  172.350   9.0209 1.946411 13.05807 
1 1 1   -4    8   52 o  256.657   5.7122  177.876   7.8861  192.266   11.865  166.487   10.555  265.853   8.2589  247.461   7.8935 18.39136 11.42439 
1 1 1   -4    8   53 o  278.185   5.6799  210.024   8.5206  220.079   12.549  201.424   11.606  284.309   8.1683  272.061   7.8945 12.24805 11.35981 
1 1 1   -4    8   54 o  324.824   8.4764  290.859   14.858  285.586   21.453  295.721   20.598  321.809   12.337  327.840   11.627 -6.031555 16.95284 
1 1 1   -4    8   55 o  296.851   8.5400  243.493   13.660  239.414   19.982  247.072   18.716  294.254   12.567  299.447   11.567 -5.192657 17.07992 
1 1 1   -4    8   56 o  114.187   12.268   36.153   7.5696   0.0000   0.0000   36.153   7.5696  ?   ?   114.187   12.268      ?      ? 
1 1 1   -4    8   57 o  105.321   11.937   32.279   6.5277   34.158   8.7045   29.865   9.8677  110.215   14.616  100.426   18.877 9.789635 23.87345 
1 1 1   -4    8   58 o  153.434   8.4630   67.403   6.7970   76.191   8.9971   55.721   10.374  166.105   10.024  140.763   13.639 25.34264 16.92596 
1 1 1   -4    8   59 o  195.764   6.2920  105.008   6.6392  111.717   9.8259   99.373   9.0060  201.441   9.0269  190.087   8.7678 11.35414 12.58407 
1 1 1   -4    8   60 o  115.764   8.9384   38.096   5.5246   34.515   8.2032   41.069   7.4735  110.302   13.763  121.226   11.409 -10.92358 17.87689 
1 1 1   -4    8   61 o  231.377   5.9676  147.476   7.4415  150.263   10.970  145.100   10.128  233.249   8.7037  229.505   8.1667 3.743774 11.93520 
1 1 1   -4    8   62 o   44.881   13.054   1.8968   5.4346  -3.8421   8.0456   6.7125   7.3702   38.133   17.437   51.630   19.431 -13.49708 26.10795 
1 1 1   -4    8   63 o  146.604   7.9828   60.581   6.2876   61.306   9.4264   59.999   8.4392  147.069   11.861  146.138   10.687 0.9315643 15.96564 
1 1 1   -4    8   64 o   64.042   12.389   9.7094   5.5946   25.577   8.5102  -2.3674   7.4243   90.551   18.026   37.533   17.001 53.01840 24.77877 
1 1 1   -4    8   65 o  164.547   7.3069   75.633   6.4575   87.446   9.7306   66.335   8.6324  175.964   10.234  153.129   10.432 22.83554 14.61378 
1 1 1   -4    8   66 o  227.664   6.4088  144.806   7.8638  144.947   11.540  144.683   10.745  227.495   9.3873  227.833   8.7276 -0.3386841 12.81765 
1 1 1   -4    8   67 o  219.364   6.5794  136.501   7.7562  147.974   11.740  127.614   10.332  227.136   9.5650  211.592   9.0368 15.54382 13.15877 
1 1 1   -4    8   68 o   45.613   13.166   2.9020   5.7629  -5.6130   8.5864   9.8820   7.7739   36.130   17.018   55.096   20.095 -18.96606 26.33294 
1 1 1   -4    9    1 o  280.852   4.6514  213.150   7.0588  215.296   10.027  211.041   9.9391  282.253   6.5741  279.450   6.5820 2.803223 9.302758 
1 1 1   -4    9    2 o  546.929   7.0535  808.633   20.846  808.041   29.473  809.225   29.488  546.729   9.9763  547.130   9.9741 -0.4005737 14.10704 
1 1 1   -4    9    4 o  617.519   7.7993  1030.99   26.025  1031.19   36.848  1030.79   36.762  617.579   11.042  617.459   11.018 0.1195679 15.59855 
1 1 1   -4    9    5 o  808.049   9.8995  1766.12   43.225  1773.04   61.378  1759.32   60.882  809.615   14.030  806.482   13.970 3.133179 19.79908 
1 1 1   -4    9    6 o  708.585   12.424  1357.90   47.573   0.0000   0.0000  1357.90   47.573  ?   ?   708.585   12.424      ?      ? 
1 1 1   -4    9    7 o  430.160   5.8739  499.631   13.641  512.906   19.798  487.632   18.823  435.591   8.4113  424.728   8.2012 10.86227 11.74774 
1 1 1   -4    9    8 o  876.591   10.675  2080.10   50.568  2076.86   71.442  2083.34   71.584  875.908   15.094  877.273   15.101 -1.365051 21.35097 
1 1 1   -4    9    9 o  848.935   10.368  1951.16   47.559  1943.24   67.029  1959.19   67.491  847.203   14.641  850.668   14.682 -3.464844 20.73508 
1 1 1   -4    9   10 o  1237.95   14.861  4159.76   99.409  4165.29  140.876  4154.28  140.296  1238.76   21.046  1237.14   20.987 1.621948 29.72124 
1 1 1   -4    9   11 o  335.424   5.0569  304.137   9.1654  301.319   12.923  306.989   13.001  333.860   7.1635  336.987   7.1395 -3.127197 10.11373 
1 1 1   -4    9   12 o  382.454   5.4406  395.032   11.237  382.770   15.573  408.352   16.231  376.270   7.6592  388.638   7.7290 -12.36841 10.88124 
1 1 1   -4    9   13 o  722.946   8.9560  1414.59   34.985  1403.91   49.156  1425.54   49.802  720.187   12.631  725.706   12.700 -5.519653 17.91196 
1 1 1   -4    9   14 o  551.836   7.1279  823.507   21.251  809.985   29.720  837.653   30.399  547.204   10.051  556.468   10.110 -9.263306 14.25577 
1 1 1   -4    9   15 o  562.273   8.8631  850.997   25.211  869.594   44.500  842.207   30.594  566.584   14.535  557.962   10.147 8.622009 17.72628 
1 1 1   -4    9   16 o  431.224   8.2787  502.689   19.271  515.991   28.030  490.766   26.537  436.616   11.881  425.832   11.533 10.78394 16.55742 
1 1 1   -4    9   17 o  216.874   6.0478  125.756   7.0349  139.009   10.780  115.923   9.2847  226.707   8.7993  207.040   8.2990 19.66707 12.09552 
1 1 1   -4    9   18 o  189.297   8.3684   96.914   8.5601   0.0000   0.0000   96.914   8.5601  ?   ?   189.297   8.3684      ?      ? 
1 1 1   -4    9   19 o  569.763   10.409  879.341   32.029  895.721   46.205  864.189   44.440  574.848   14.875  564.677   14.564 10.17090 20.81747 
1 1 1   -4    9   20 f  928.936   16.080  2347.76   80.709  2362.61  114.984  2333.33  113.315  931.804   22.836  926.067   22.644 5.736816 32.15984 
1 1 1   -4    9   21 o  467.276   8.9971  590.991   22.711  598.874   32.602  583.558   31.655  470.294   12.829  464.258   12.618 6.036224 17.99426 
1 1 1   -4    9   22 o  535.275   8.5727  786.213   23.742  737.387   39.118  814.687   29.873  521.783   13.874  548.766   10.074 -26.98340 17.14542 
1 1 1   -4    9   23 o  1038.20   12.553  2922.38   70.420  2935.80  100.117  2909.23   99.070  1040.55   17.806  1035.85   17.699 4.698486 25.10594 
1 1 1   -4    9   24 o  478.070   6.4117  618.037   16.563  617.844   23.536  618.227   23.312  477.994   9.1123  478.146   9.0225 -0.1520691 12.82341 
1 1 1   -4    9   25 o  581.723   7.4749  914.705   23.487  894.827   32.638  936.055   33.825  575.177   10.501  588.269   10.641 -13.09229 14.94973 
1 1 1   -4    9   26 o  276.344   4.8587  206.459   7.2539  202.934   10.299  209.929   10.218  274.002   6.9562  278.687   6.7852 -4.685303 9.717416 
1 1 1   -4    9   27 o  1009.81   12.224  2761.47   66.695  2738.75   93.581  2784.92   95.079  1005.60   17.222  1014.02   17.352 -8.423279 24.44745 
1 1 1   -4    9   28 o  656.717   8.2867  1166.34   29.405  1154.64   41.295  1178.38   41.881  653.378   11.696  660.057   11.742 -6.678894 16.57332 
1 1 1   -4    9   29 o  648.829   8.2134  1138.45   28.793  1123.64   40.321  1153.86   41.129  644.528   11.577  653.131   11.654 -8.603027 16.42674 
1 1 1   -4    9   30 o  408.890   5.8893  451.980   13.009  452.669   18.626  451.324   18.176  409.192   8.4240  408.589   8.2323 0.6027832 11.77856 
1 1 1   -4    9   31 o  330.750   5.3491  295.777   9.5573  292.943   13.647  298.505   13.389  329.192   7.6717  332.307   7.4564 -3.115295 10.69823 
1 1 1   -4    9   32 o  885.701   10.842  2124.08   51.886  2128.36   73.676  2119.86   73.084  886.581   15.379  884.820   15.286 1.761047 21.68301 
1 1 1   -4    9   33 o  687.919   8.6775  1279.92   32.245  1255.59   44.882  1305.87   46.358  681.174   12.193  694.663   12.350 -13.48883 17.35497 
1 1 1   -4    9   34 o  1065.75   12.917  3075.80   74.289  2984.77  101.944  3178.89  108.482  1049.03   17.984  1082.47   18.546 -33.44141 25.83380 
1 1 1   -4    9   35 o  840.840   10.385  1912.20   47.132  1855.85   64.835  1975.36   68.636  827.750   14.495  853.930   14.874 -26.17950 20.76916 
1 1 1   -4    9   36 o  761.826   9.5307  1570.46   39.215  1535.21   54.411  1608.56   56.568  752.951   13.373  770.700   13.583 -17.74890 19.06149 
1 1 1   -4    9   37 o  1176.26   14.223  3756.16   90.350  3680.43  125.197  3838.46  130.517  1163.96   19.905  1188.55   20.322 -24.59070 28.44638 
1 1 1   -4    9   38 o  409.755   6.2768  454.056   13.896  444.682   19.508  463.713   19.800  405.461   8.9039  414.050   8.8496 -8.588379 12.55365 
1 1 1   -4    9   39 o  563.550   7.5264  859.805   22.919  857.341   32.455  862.257   32.371  562.741   10.673  564.358   10.615 -1.617004 15.05271 
1 1 1   -4    9   40 o  365.882   5.9843  362.200   11.831  358.440   16.776  365.919   16.686  363.990   8.5294  367.775   8.3963 -3.785583 11.96866 
1 1 1   -4    9   41 f  281.314   5.7318  214.141   8.7076  204.191   12.241  224.333   12.389  274.691   8.2467  287.936   7.9627 -13.24521 11.46351 
1 1 1   -4    9   42 o  117.739   9.0828   37.782   5.7532   34.605   8.2728   40.757   8.0063  112.896   13.561  122.582   12.087 -9.686546 18.16566 
1 1 1   -4    9   43 o  594.156   9.7425  944.379   28.936  921.145   34.645  997.973   52.619  582.858   11.000  605.455   16.083 -22.59772 19.48494 
1 1 1   -4    9   44 o  301.677   5.9244  245.986   9.6449  229.343   13.328  264.285   13.976  290.978   8.4762  312.377   8.2794 -21.39899 11.84886 
1 1 1   -4    9   45 o  858.963   13.191  2034.50   57.974  1984.46   98.746  2060.82   71.617  848.803   21.529  869.122   15.249 -20.31915 26.38247 
1 1 1   -4    9   46 o  283.457   5.7620  217.748   8.8077  218.221   12.880  217.333   12.071  283.718   8.4015  283.197   7.8879 0.5211182 11.52407 
1 1 1   -4    9   47 o  268.901   7.6350  195.710   11.057  208.581   16.474  185.158   14.917  276.870   11.011  260.932   10.579 15.93835 15.26990 
1 1 1   -4    9   48 o  348.505   7.9706  330.542   14.998  337.387   21.739  324.324   20.719  351.906   11.432  345.105   11.110 6.800415 15.94125 
1 1 1   -4    9   49 o  219.876   6.8405  130.038   7.9378  125.014   10.100  138.153   12.837  214.522   8.7129  225.230   10.548 -10.70808 13.68098 
1 1 1   -4    9   50 o  174.119   6.5865   82.522   6.1732   82.624   9.1420   82.437   8.3695  174.160   9.7141  174.078   8.8975 0.8230591E-01 13.17308 
1 1 1   -4    9   51 o  493.978   6.9140  665.215   18.448  670.878   26.515  659.901   25.683  495.962   9.8937  491.995   9.6606 3.967010 13.82794 
1 1 1   -4    9   52 o  457.417   6.6155  570.281   16.347  554.464   22.812  586.977   23.437  450.898   9.3625  463.936   9.3489 -13.03821 13.23092 
1 1 1   -4    9   53 o  245.161   7.1611  160.497   8.9832  152.509   10.935  177.072   15.753  236.470   8.5580  253.852   11.484 -17.38185 14.32225 
1 1 1   -4    9   54 o   96.695   15.879   27.053   8.2195   38.288   12.651   18.845   10.813  113.878   21.342   79.513   23.519 34.36542 31.75873 
1 1 1   -4    9   55 o   86.079   16.905   22.834   8.2759   17.890   12.327   26.892   11.167   77.769   25.452   94.390   22.256 -16.62038 33.81054 
1 1 1   -4    9   56 o  141.358   8.5205   57.902   6.2049   42.989   9.4224   69.321   8.2452  123.888   14.075  158.827   9.6070 -34.93901 17.04096 
1 1 1   -4    9   57 o  297.601   6.9178  244.591   10.521  242.117   18.024  245.870   12.957  295.505   11.288  299.697   8.0010 -4.191956 13.83568 
1 1 1   -4    9   58 o  327.771   7.1160  293.185   12.034  284.772   14.857  309.234   20.520  322.036   8.5378  333.505   11.387 -11.46854 14.23202 
1 1 1   -4    9   59 o  216.203   6.2581  128.372   7.2854  133.236   10.843  124.368   9.8367  219.793   9.1295  212.613   8.5619 7.179214 12.51615 
1 1 1   -4    9   60 o  143.675   7.8716   58.413   6.0269   50.668   8.8502   65.112   8.2301  134.197   12.205  153.152   9.9448 -18.95529 15.74320 
1 1 1   -4    9   61 o   34.644   11.413  -6.0682   5.3153 -10.2889   7.9520  -2.6595   7.1463   32.306   15.536   36.981   16.722 -4.675278 22.82552 
1 1 1   -4    9   62 o  356.203   6.1410  350.465   11.792  360.595   17.381  341.826   16.051  360.734   8.9165  351.672   8.4465 9.062195 12.28197 
1 1 1   -4    9   63 o  175.852   7.1170   86.712   6.7174   84.928   10.032   88.161   9.0441  173.826   10.681  177.877   9.4093 -4.050888 14.23410 
1 1 1   -4    9   64 o   59.612   14.475   11.389   5.7849   7.8775   8.9771   13.883   7.5652   54.030   21.155   65.195   19.761 -11.16491 28.94915 
1 1 1   -4    9   65 o   34.797   11.623  -7.3904   5.6760  -3.9848   8.5956 -10.0236   7.5582   38.654   17.803   30.941   14.946 7.712795 23.24522 
1 1 1   -4    9   66 o  179.552   7.1981   92.390   6.9058   83.211   10.188  100.194   9.3934  170.435   11.062  188.669   9.2137 -18.23386 14.39628 
1 1 1   -4    9   67 o  128.966   9.5585   51.421   6.3957   40.553   9.6530   59.925   8.5389  114.241   15.637  143.691   10.997 -29.44980 19.11691 
1 1 1   -4    9   68 o   62.102   15.025   14.230   6.0551   13.540   9.4697   14.707   7.8753   60.432   22.158   63.772   20.299 -3.340149 30.05064 
1 1 1   -4   10    1 o  463.196   6.2708  580.099   15.695  579.552   22.271  580.638   22.123  462.978   8.9021  463.414   8.8344 -0.4360657 12.54170 
1 1 1   -4   10    3 o  338.104   5.1124  308.937   9.3389  313.157   13.354  304.896   13.065  340.363   7.2606  335.845   7.1994 4.518158 10.22485 
1 1 1   -4   10    4 o  577.442   7.4103  901.761   23.120  909.758   32.983  894.036   32.418  579.956   10.525  574.928   10.435 5.027893 14.82056 
1 1 1   -4   10    5 o  764.857   9.4455  1583.49   39.038  1580.28   55.127  1586.71   55.291  764.081   13.352  765.633   13.364 -1.552246 18.89093 
1 1 1   -4   10    7 o  626.206   11.189  1060.90   37.862   0.0000   0.0000  1060.90   37.862  ?   ?   626.206   11.189      ?      ? 
1 1 1   -4   10    8 o  539.443   7.0095  786.997   20.431  779.283   28.721  794.901   29.071  536.768   9.9021  542.119   9.9238 -5.350525 14.01899 
1 1 1   -4   10   10 o  677.635   8.4919  1242.49   31.091  1229.47   43.571  1255.99   44.380  674.025   11.963  681.246   12.056 -7.220825 16.98388 
1 1 1   -4   10   12 o  1104.00   13.340  3302.75   79.488  3394.84  115.837  3220.80  109.276  1118.45   19.166  1089.55   18.561 28.89685 26.68046 
1 1 1   -4   10   13 o  619.805   11.123  1040.55   37.232  1058.33   53.706  1024.10   51.661  624.879   15.905  614.732   15.552 10.14703 22.24503 
1 1 1   -4   10   14 o  528.533   9.7432  756.440   27.823  745.721   38.986  767.568   39.720  524.720   13.750  532.346   13.808 -7.625244 19.48634 
1 1 1   -4   10   15 o  384.880   7.7796  400.916   16.179  396.396   22.919  405.405   22.841  382.713   11.083  387.047   10.921 -4.333923 15.55928 
1 1 1   -4   10   16 o  856.844   14.901  1990.02   68.991  1990.02   68.991   0.0000   0.0000  856.844   14.901  ?   ?       ?      ? 
1 1 1   -4   10   17 o  557.014   10.251  840.880   30.855  840.090   43.666  841.667   43.604  556.751   14.514  557.278   14.480 -0.5262451 20.50204 
1 1 1   -4   10   18 o  339.666   7.3584  311.841   13.498  301.802   18.706  322.748   19.497  333.971   10.365  345.362   10.447 -11.39078 14.71678 
1 1 1   -4   10   19 o  398.032   8.1010  428.513   17.414  436.712   25.136  420.946   24.147  401.683   11.581  394.381   11.331 7.302338 16.20194 
1 1 1   -4   10   20 o  232.649   5.8361  145.121   6.7539  149.549   12.325  143.221   8.0742  235.125   9.7004  230.173   6.4917 4.951706 11.67216 
1 1 1   -4   10   21 o  338.760   5.2108  310.240   9.5350  310.939   13.680  309.580   13.297  339.128   7.4649  338.392   7.2721 0.7360229 10.42152 
1 1 1   -4   10   22 o  809.578   9.9644  1774.28   43.586  1754.72   61.059  1794.60   62.237  805.036   14.036  814.119   14.147 -9.083191 19.92881 
1 1 1   -4   10   23 o  597.534   7.6571  965.771   24.723  956.809   34.782  974.924   35.148  594.733   10.823  600.335   10.835 -5.602722 15.31429 
1 1 1   -4   10   24 o  333.283   7.3312  300.269   13.203   0.0000   0.0000  300.269   13.203  ?   ?   333.283   7.3312      ?      ? 
1 1 1   -4   10   25 o  307.144   5.0933  254.891   8.4470  257.682   12.214  252.332   11.695  308.753   7.3208  305.535   7.0833 3.217957 10.18663 
1 1 1   -4   10   26 o  682.063   8.5722  1258.15   31.590  1243.37   44.269  1273.49   45.094  677.985   12.084  686.142   12.162 -8.157166 17.14442 
1 1 1   -4   10   27 o  1256.12   15.099  4277.79  102.475  4308.21  146.288  4248.48  143.592  1260.48   21.478  1251.77   21.228 8.715820 30.19821 
1 1 1   -4   10   28 o  671.801   8.4780  1220.86   30.776  1222.55   43.681  1219.19   43.368  672.260   12.025  671.342   11.955 0.9179077 16.95595 
1 1 1   -4   10   29 o  289.837   5.1727  226.471   8.0882  209.769   11.144  245.066   11.758  278.572   7.4028  301.102   7.2266 -22.52991 10.34535 
1 1 1   -4   10   30 o  1118.65   13.499  3391.02   81.585  3348.31  114.026  3435.82  116.782  1111.45   18.986  1125.84   19.196 -14.39172 26.99881 
1 1 1   -4   10   31 o  165.990   5.9448   74.792   5.3089   70.207   7.7219   78.902   7.3108  161.140   8.8682  170.839   7.9194 -9.699738 11.88956 
1 1 1   -4   10   32 o  549.345   7.2598  815.560   21.540  794.086   29.896  838.739   31.061  541.836   10.211  556.854   10.322 -15.01892 14.51950 
1 1 1   -4   10   33 o  690.262   8.7395  1288.43   32.577  1256.10   45.099  1323.69   47.108  681.229   12.251  699.296   12.467 -18.06671 17.47893 
1 1 1   -4   10   34 o  879.527   10.830  2095.08   51.458  2060.96   71.791  2131.13   73.797  872.179   15.233  886.875   15.399 -14.69641 21.66008 
1 1 1   -4   10   35 o  378.078   5.9667  386.598   12.188  381.034   17.280  392.107   17.195  375.367   8.5191  380.789   8.3565 -5.421509 11.93341 
1 1 1   -4   10   36 o  586.664   7.7535  928.410   24.529  886.298   33.401  977.710   36.139  572.285   10.801  601.044   11.127 -28.75897 15.50709 
1 1 1   -4   10   37 o  532.705   7.2507  767.515   20.867  751.137   29.146  784.740   29.889  526.878   10.237  538.532   10.271 -11.65381 14.50149 
1 1 1   -4   10   38 o  398.871   6.1762  429.864   13.303  412.684   18.432  448.544   19.220  390.563   8.7336  407.179   8.7354 -16.61560 12.35245 
1 1 1   -4   10   39 o  189.415   6.6217   97.142   6.7739   94.692   9.6525   99.519   9.5085  187.054   9.5496  191.775   9.1755 -4.721176 13.24332 
1 1 1   -4   10   40 o  306.046   5.8417  252.504   9.6360  228.749   13.222  279.413   14.072  290.742   8.4159  321.349   8.1041 -30.60709 11.68347 
1 1 1   -4   10   41 o  288.314   5.7456  224.891   8.9372  226.529   13.033  223.438   12.279  289.292   8.3373  287.337   7.9081 1.954163 11.49124 
1 1 1   -4   10   42 o  749.157   11.619  1532.97   44.568  1543.60   54.986  1512.61   76.095  753.890   13.497  744.424   18.917 9.466492 23.23841 
1 1 1   -4   10   43 o  275.552   7.2568  205.939   10.225  206.074   12.574  205.676   17.567  275.843   8.4358  275.260   11.810 0.5826721 14.51359 
1 1 1   -4   10   44 o  291.478   7.3191  228.796   10.555  234.910   19.419  226.232   12.575  293.972   12.224  288.985   8.0526 4.986511 14.63829 
1 1 1   -4   10   45 o  390.277   6.2340  412.604   13.112  418.393   19.317  407.658   17.856  392.767   9.1018  387.787   8.5211 4.980377 12.46799 
1 1 1   -4   10   46 o  421.371   8.6966  483.547   19.798  470.496   27.752  497.072   28.251  415.566   12.358  427.176   12.239 -11.60977 17.39323 
1 1 1   -4   10   47 o  118.370   11.713   38.321   7.4722   41.869   11.034   35.315   10.155  123.407   16.546  113.334   16.582 10.07386 23.42536 
1 1 1   -4   10   48 o  127.389   8.3405   44.319   5.7224   43.437   8.3936   45.086   7.8219  126.150   12.313  128.629   11.253 -2.478714 16.68102 
1 1 1   -4   10   49 o  104.455   9.9185   30.199   5.5263   28.185   8.3463   31.771   7.3743  101.175   15.266  107.735   12.667 -6.559570 19.83709 
1 1 1   -4   10   50 o  544.011   7.3775  807.769   21.683  809.433   30.978  806.170   30.361  544.510   10.528  543.512   10.338 0.9981079 14.75509 
1 1 1   -4   10   51 o  171.694   6.7114   80.058   6.2107   84.846   9.1947   76.040   8.4227  176.370   9.6477  167.018   9.3325 9.352356 13.42289 
1 1 1   -4   10   52 o  231.863   5.8612  146.041   7.3191  151.315   10.878  141.678   9.8937  235.618   8.5435  228.109   8.0266 7.509537 11.72248 
1 1 1   -4   10   53 o  129.730   14.051   47.918   8.8730   82.050   13.691   23.198   11.651  171.711   14.755   87.749   23.917 83.96232 28.10239 
1 1 1   -4   10   54 o  154.793   11.549   67.709   9.5936   63.041   14.078   71.757   13.108  149.363   17.443  160.223   15.140 -10.86021 23.09730 
1 1 1   -4   10   55 o  226.007   7.8022  133.758   8.4365  156.937   16.868  126.026   9.7425  237.383   13.150  214.630   8.4002 22.75249 15.60438 
1 1 1   -4   10   56 o  149.933   7.4360   61.858   5.9980   63.845   8.9677   60.250   8.0682  151.983   10.919  147.883   10.097 4.099274 14.87190 
1 1 1   -4   10   57 o   79.836   14.302   20.365   6.1096   15.255   10.496   22.985   7.5138   71.185   23.496   88.487   16.315 -17.30202 28.60472 
1 1 1   -4   10   58 o  134.838   10.220   54.818   6.7433   42.365   11.514   61.319   8.3193  120.885   17.627  148.790   10.347 -27.90514 20.43959 
1 1 1   -4   10   59 o  291.120   7.0454  235.566   10.835  237.798   13.978  232.207   17.150  293.666   8.8088  288.573   10.998 5.093048 14.09084 
1 1 1   -4   10   60 o   54.817   14.283   8.0334   5.5606   7.5061   8.4128   8.4425   7.4100   54.518   20.703   55.116   19.683 -0.5982437 28.56631 
1 1 1   -4   10   61 o  141.074   8.4792   56.778   6.3252   52.090   9.7511   60.184   8.3109  135.292   13.338  146.855   10.473 -11.56323 16.95838 
1 1 1   -4   10   62 o  257.143   6.1462  180.875   8.4688  202.812   13.049  164.912   11.131  270.242   8.9360  244.043   8.4410 26.19859 12.29243 
1 1 1   -4   10   63 o  130.256   9.0128   48.620   6.3051   49.994   9.4991   47.537   8.4299  131.509   13.367  129.004   12.093 2.504868 18.02562 
1 1 1   -4   10   64 o   75.507   12.777   16.502   6.0082   32.064   9.1784   4.8341   7.9477  103.026   16.487   47.988   19.525 55.03812 25.55432 
1 1 1   -4   10   65 o  187.137   7.3504   96.977   7.3219  109.574   11.622   88.687   9.4281  196.593   10.940  177.680   9.8197 18.91319 14.70088 
1 1 1   -4   10   66 o   66.658   14.586   16.390   5.9431   12.879   9.2248   18.882   7.7707   59.713   21.873   73.603   19.300 -13.89007 29.17111 
1 1 1   -4   10   67 o  123.751   9.8063   46.257   6.4406   44.237   9.9065   47.735   8.4766  120.078   15.268  127.424   12.311 -7.345558 19.61258 
1 1 1   -4   10   68 o   53.270   14.820   9.0019   6.1442   13.495   9.9107   6.1968   7.8306   59.382   22.490   47.157   19.305 12.22500 29.63926 
1 1 1   -4   11    1 o  1066.92   12.899  3086.73   74.363  3068.06  104.545  3105.85  105.795  1063.66   18.189  1070.17   18.295 -6.508545 25.79802 
1 1 1   -4   11    3 o  407.061   5.8175  447.944   12.794  452.207   18.302  443.871   17.891  408.952   8.2823  405.169   8.1718 3.783020 11.63508 
1 1 1   -4   11    4 o  464.999   6.2961  584.593   15.818  576.712   22.152  592.793   22.595  461.803   8.8770  468.194   8.9310 -6.391541 12.59222 
1 1 1   -4   11    5 o  872.800   10.681  2063.35   50.370  2046.37   70.677  2080.87   71.803  869.161   15.048  876.440   15.161 -7.279175 21.36160 
1 1 1   -4   11    7 o  819.667   10.079  1819.42   44.638  1831.94   63.639  1807.29   62.628  822.433   14.320  816.900   14.188 5.533691 20.15801 
1 1 1   -4   11    8 o  366.214   5.4513  362.602   10.787  360.104   15.222  365.122   15.290  364.946   7.7186  367.481   7.7000 -2.534668 10.90264 
1 1 1   -4   11    9 o  481.052   9.1560  625.879   23.801   0.0000   0.0000  625.879   23.801  ?   ?   481.052   9.1560      ?      ? 
1 1 1   -4   11   10 o  563.683   10.358  860.695   31.545  867.117   45.027  854.505   44.207  565.740   14.729  561.627   14.566 4.112732 20.71513 
1 1 1   -4   11   11 o  696.953   12.424  1290.19   46.050  1173.65   59.115  1470.05   73.438  657.905   16.628  736.002   18.465 -78.09668 24.84886 
1 1 1   -4   11   12 o  190.761   10.638   98.468   10.966   98.468   10.966   0.0000   0.0000  190.761   10.638  ?   ?       ?      ? 
1 1 1   -4   11   13 o  742.790   18.572  1497.97   74.544  1497.97   74.544   0.0000   0.0000  742.790   18.572  ?   ?       ?      ? 
1 1 1   -4   11   14 o  665.020   11.879  1199.67   42.684  1188.06   59.811  1211.71   60.932  661.755   16.726  668.284   16.873 -6.529419 23.75861 
1 1 1   -4   11   15 o  136.208   7.6848   50.480   5.5484   63.514   8.0117   38.468   7.6913  153.217   9.6767  119.199   11.941 34.01833 15.36964 
1 1 1   -4   11   16 o  251.008   6.9045  170.395   9.3628  173.018   13.418  167.905   13.071  252.889   9.8188  249.128   9.7097 3.760757 13.80898 
1 1 1   -4   11   17 o  385.036   7.9399  401.150   16.518  395.721   23.176  406.757   23.550  382.389   11.216  387.683   11.241 -5.293976 15.87981 
1 1 1   -4   11   18 o  215.818   5.9798  121.148   6.3513  137.590   12.067  114.848   7.4697  225.522   9.9021  206.113   6.7067 19.40826 11.95957 
1 1 1   -4   11   19 o  362.915   5.4502  356.136   10.687  354.103   15.210  358.119   15.019  361.890   7.7778  363.941   7.6372 -2.050964 10.90049 
1 1 1   -4   11   20 o  604.520   7.7480  988.665   25.310  984.199   35.765  993.146   35.822  603.151   10.974  605.889   10.941 -2.737732 15.49609 
1 1 1   -4   11   21 f  1213.42   14.598  3994.68   95.696  3946.71  133.739  4045.01  136.989  1205.98   20.522  1220.85   20.765 -14.86316 29.19525 
1 1 1   -4   11   22 o  1213.25   14.605  3992.04   95.714  3925.83  133.208  4062.72  137.620  1202.90   20.493  1223.61   20.814 -20.71033 29.20954 
1 1 1   -4   11   23 o  603.700   7.7468  985.654   25.270  975.023   35.488  996.589   35.991  600.399   10.938  607.001   10.973 -6.601624 15.49357 
1 1 1   -4   11   24 o  191.010   5.0847   99.114   5.2207   89.281   7.4872  108.420   7.2833  181.737   7.6240  200.282   6.7298 -18.54498 10.16935 
1 1 1   -4   11   25 o  1451.35   17.359  5717.75  136.141  5698.18  191.987  5737.54  193.081  1448.86   24.522  1453.84   24.577 -4.979248 34.71851 
1 1 1   -4   11   26 o  738.845   9.2283  1476.76   36.839  1486.40   52.612  1467.49   51.598  741.202   13.136  736.487   12.965 4.714783 18.45664 
1 1 1   -4   11   27 o  550.905   7.2405  820.636   21.550  825.671   30.819  815.818   30.145  552.554   10.322  549.255   10.157 3.298889 14.48108 
1 1 1   -4   11   28 o  284.770   7.5133  219.210   11.561  219.210   11.561   0.0000   0.0000  284.770   7.5133  ?   ?       ?      ? 
1 1 1   -4   11   29 o  315.446   7.3886  268.979   12.594   0.0000   0.0000  268.979   12.594  ?   ?   315.446   7.3886      ?      ? 
1 1 1   -4   11   30 o  644.926   8.2492  1124.73   28.741  1102.90   40.101  1147.78   41.214  638.500   11.623  651.352   11.709 -12.85297 16.49845 
1 1 1   -4   11   31 o  1038.29   12.607  2921.29   70.710  2872.85   98.459  2972.89  101.613  1029.43   17.700  1047.15   17.958 -17.71716 25.21438 
1 1 1   -4   11   32 o  779.802   9.7224  1643.52   40.912  1588.91   56.101  1705.55   59.792  766.018   13.553  793.586   13.943 -27.56824 19.44476 
1 1 1   -4   11   33 o  1095.82   13.283  3257.36   78.644  3220.74  110.063  3295.57  112.414  1089.55   18.694  1102.09   18.876 -12.53967 26.56652 
1 1 1   -4   11   34 o  379.040   6.0574  388.432   12.399  391.338   17.879  385.738   17.211  380.400   8.6979  377.679   8.4331 2.720581 12.11490 
1 1 1   -4   11   35 o  392.153   6.1831  415.795   13.100  405.101   18.349  426.914   18.709  387.010   8.7739  397.296   8.7145 -10.28540 12.36622 
1 1 1   -4   11   36 o  716.744   9.1029  1390.90   35.251  1371.92   49.348  1410.68   50.373  711.758   12.831  721.731   12.916 -9.972595 18.20586 
1 1 1   -4   11   37 o  717.982   9.1207  1396.51   35.382  1376.03   49.582  1417.75   50.506  712.625   12.876  723.338   12.921 -10.71368 18.24146 
1 1 1   -4   11   38 o  567.233   7.6000  871.020   23.290  876.567   33.343  865.735   32.545  568.986   10.845  565.481   10.651 3.505005 15.19994 
1 1 1   -4   11   39 o  517.478   7.1461  724.643   19.976  705.526   27.826  744.972   28.694  510.442   10.088  524.513   10.124 -14.07101 14.29212 
1 1 1   -4   11   40 o  400.311   6.2170  433.834   13.447  425.414   18.962  442.352   19.072  396.399   8.8524  404.224   8.7316 -7.825439 12.43401 
1 1 1   -4   11   41 o  378.517   7.6889  387.948   14.652  387.160   17.740  389.640   25.987  378.141   8.6820  378.892   12.693 -0.7507019 15.37788 
1 1 1   -4   11   42 o  318.779   7.4812  266.131   11.786  253.236   13.914  298.874   22.173  305.794   8.4207  331.763   12.368 -25.96927 14.96246 
1 1 1   -4   11   43 o  454.563   8.2273  568.880   19.076  537.612   32.451  585.389   23.580  444.467   13.511  464.660   9.3914 -20.19293 16.45464 
1 1 1   -4   11   44 o  374.973   8.5200  381.133   17.263   0.0000   0.0000  381.133   17.263  ?   ?   374.973   8.5200      ?      ? 
1 1 1   -4   11   45 o  264.034   7.9567  190.832   11.278  173.356   16.382  206.577   15.549  252.347   12.014  275.722   10.436 -23.37482 15.91348 
1 1 1   -4   11   46 o  393.795   8.4551  422.889   17.986  410.811   25.465  434.910   25.406  388.128   12.142  399.461   11.770 -11.33340 16.91023 
1 1 1   -4   11   47 o  162.320   7.0882   71.061   6.1911   79.028   9.2704   64.647   8.3180  170.460   10.064  154.181   9.9839 16.27893 14.17638 
1 1 1   -4   11   48 o  383.049   6.0793  398.771   12.581  389.473   17.795  408.062   17.789  378.558   8.6990  387.540   8.4945 -8.981659 12.15850 
1 1 1   -4   11   49 o  525.181   7.2217  752.372   20.493  741.850   28.961  762.925   29.002  521.471   10.278  528.891   10.148 -7.419250 14.44333 
1 1 1   -4   11   50 o  440.992   6.5045  529.914   15.498  527.540   22.090  532.215   21.748  439.982   9.2911  442.002   9.1055 -2.020020 13.00906 
1 1 1   -4   11   51 o  247.175   5.8503  165.995   7.7957  171.346   11.492  161.435   10.610  250.808   8.4794  243.541   8.0625 7.267151 11.70061 
1 1 1   -4   11   52 o  387.546   7.8066  412.874   15.421  413.804   18.924  411.036   26.605  389.244   8.9971  385.848   12.760 3.395660 15.61320 
1 1 1   -4   11   53 o  286.287   8.6207  226.231   13.303  226.351   19.507  226.126   18.189  286.143   12.616  286.431   11.752 -0.2873535 17.24146 
1 1 1   -4   11   54 o  129.667   13.605   49.562   9.0594   38.446   12.961   60.180   12.668  113.222   21.977  146.111   16.045 -32.88915 27.21073 
1 1 1   -4   11   55 o  239.490   5.9998  157.615   7.7185  151.145   11.414  163.066   10.477  234.747   8.9981  244.234   7.9387 -9.486618 11.99959 
1 1 1   -4   11   56 o  112.827   9.4431   35.873   5.6923   34.425   8.6119   36.996   7.5857  110.449   14.430  115.206   12.185 -4.756691 18.88625 
1 1 1   -4   11   57 o  201.486   6.4773  110.996   7.0265  121.424   10.494  102.521   9.4605  209.969   9.2487  193.004   9.0711 16.96574 12.95465 
1 1 1   -4   11   58 o   56.703   15.212   6.5955   6.0278   12.917   11.010   3.8901   7.2032   66.741   23.976   46.665   18.729 20.07608 30.42392 
1 1 1   -4   11   59 o  135.411   9.8498   51.781   7.1609   48.245   9.4965   56.441   10.903  130.322   13.485  140.499   14.361 -10.17662 19.69968 
1 1 1   -4   11   60 o   50.012   14.453   2.5320   6.4077  -2.7302   8.4515   9.6464   9.8269   40.342   18.219   59.682   22.442 -19.33991 28.90591 
1 1 1   -4   11   61 o  153.188   7.8374   65.835   6.4677   67.813   9.5815   64.180   8.7663  155.106   11.432  151.270   10.724 3.835724 15.67483 
1 1 1   -4   11   62 o   66.688   14.490   14.272   5.7660   12.254   8.7932   15.794   7.6372   62.804   21.514   70.572   19.417 -7.767391 28.98059 
1 1 1   -4   11   63 o  141.487   8.7319   58.360   6.5884   52.602   9.7851   63.135   8.9110  134.155   13.498  148.820   11.081 -14.66484 17.46385 
1 1 1   -4   11   64 o  101.685   11.909   30.729   6.3315   37.806   9.8345   25.719   8.2745  112.396   16.192   90.973   17.467 21.42387 23.81805 
1 1 1   -4   11   65 o  124.672   9.9982   44.286   6.5879   58.218   10.683   35.735   8.3687  139.808   14.140  109.536   14.139 30.27171 19.99636 
1 1 1   -4   11   66 o  121.896   10.439   42.930   6.6058   63.825   10.650   29.864   8.4216  145.874   13.511   97.918   15.916 47.95589 20.87761 
1 1 1   -4   11   67 o  143.054   9.2655   62.644   6.9885   57.074   10.757   66.713   9.1927  135.519   14.689  150.589   11.297 -15.06953 18.53109 
1 1 1   -4   12    1 o  721.388   12.709  1411.49   49.534  1399.32   69.424  1424.10   70.698  718.237   17.888  724.540   18.057 -6.302795 25.41731 
1 1 1   -4   12    2 o  201.455   6.5109  109.278   7.0714  117.478   10.437  102.320   9.6145  208.409   9.2676  194.502   9.1477 13.90656 13.02189 
1 1 1   -4   12    3 o  651.670   11.627  1150.87   40.932  1134.01   57.095  1168.69   58.713  646.776   16.336  656.564   16.549 -9.787903 23.25390 
1 1 1   -4   12    4 o  276.230   6.6968  206.159   9.9902  213.604   14.428  199.302   13.847  281.014   9.5013  271.445   9.4400 9.568604 13.39359 
1 1 1   -4   12    5 o  462.452   8.8436  577.840   22.071  557.883   30.283  600.450   32.233  453.963   12.345  470.940   12.666 -16.97672 17.68728 
1 1 1   -4   12    6 o  412.320   11.613  460.135   25.874   0.0000   0.0000  460.135   25.874  ?   ?   412.320   11.613      ?      ? 
1 1 1   -4   12   11 o  424.132   8.3973  487.004   19.245  482.658   27.078  491.441   27.357  422.220   11.868  426.044   11.883 -3.823547 16.79460 
1 1 1   -4   12   12 o  596.980   10.872  966.115   35.070  973.198   49.961  959.234   49.240  599.130   15.432  594.831   15.319 4.298828 21.74467 
1 1 1   -4   12   13 o   83.872   11.553   19.541   5.1003   25.653   7.3838   13.964   7.0533   97.308   14.042   70.435   18.348 26.87312 23.10528 
1 1 1   -4   12   14 f  404.973   7.1452  443.029   14.704  445.721   25.633  441.709   17.951  405.795   11.690  404.151   8.2196 1.644409 14.29039 
1 1 1   -4   12   15 o  171.519   5.3150   79.235   4.9104   83.248   7.3025   75.924   6.6343  175.464   7.7019  167.574   7.3265 7.890228 10.63000 
1 1 1   -4   12   16 o  1039.97   12.624  2933.97   70.944  2923.63  100.072  2944.41  100.591  1038.13   17.839  1041.81   17.868 -3.676270 25.24896 
1 1 1   -4   12   17 o  456.673   8.8772  563.992   21.906   0.0000   0.0000  563.992   21.906  ?   ?   456.673   8.8772      ?      ? 
1 1 1   -4   12   18 o  633.063   8.0887  1084.11   27.664  1094.87   39.620  1073.87   38.644  636.120   11.526  630.005   11.351 6.115356 16.17743 
1 1 1   -4   12   20 o  505.555   6.7933  691.086   18.557  681.768   26.057  700.675   26.433  502.098   9.6041  509.013   9.6103 -6.914459 13.58660 
1 1 1   -4   12   21 o  457.052   8.9214  564.821   22.034   0.0000   0.0000  564.821   22.034  ?   ?   457.052   8.9214      ?      ? 
1 1 1   -4   12   22 o  1083.09   13.095  3178.23   76.632  3147.08  107.367  3210.58  109.410  1077.70   18.437  1088.49   18.601 -10.78943 26.19018 
1 1 1   -4   12   23 o   80.020   12.173   17.320   5.2638   0.0000   0.0000   17.320   5.2638  ?   ?    80.020   12.173      ?      ? 
1 1 1   -4   12   24 o  1032.03   12.514  2883.36   69.760  2836.74   97.086  2933.12  100.304  1023.43   17.555  1040.63   17.837 -17.19916 25.02736 
1 1 1   -4   12   25 f  815.852   10.100  1801.10   44.520  1778.78   62.360  1824.30   63.581  810.702   14.235  821.001   14.332 -10.29919 20.19961 
1 1 1   -4   12   26 o  315.393   7.3793  268.887   12.576   0.0000   0.0000  268.887   12.576  ?   ?   315.393   7.3793      ?      ? 
1 1 1   -4   12   27 o  796.779   9.8759  1717.90   42.516  1697.25   59.574  1739.33   60.695  791.904   13.922  801.653   14.011 -9.749084 19.75182 
1 1 1   -4   12   28 o  401.656   6.0125  435.970   13.046  422.535   18.250  450.012   18.657  395.329   8.5430  407.983   8.4627 -12.65381 12.02495 
1 1 1   -4   12   29 o  486.576   6.7226  640.273   17.673  638.689   25.191  641.809   24.801  485.979   9.5928  487.173   9.4209 -1.193512 13.44524 
1 1 1   -4   12   30 o  415.258   6.1173  466.293   13.726  459.443   19.376  473.193   19.447  412.194   8.6990  418.321   8.6029 -6.126617 12.23452 
1 1 1   -4   12   31 o  543.585   7.2893  799.042   21.402  810.256   30.809  788.585   29.752  547.262   10.418  539.908   10.198 7.353394 14.57867 
1 1 1   -4   12   32 o  275.067   5.7068  204.733   8.4742  200.512   12.179  208.695   11.799  272.310   8.2768  277.823   7.8592 -5.512817 11.41369 
1 1 1   -4   12   33 o  382.624   8.5268  395.922   17.630   0.0000   0.0000  395.922   17.630  ?   ?   382.624   8.5268      ?      ? 
1 1 1   -4   12   34 o  504.745   7.0278  687.962   19.147  661.494   26.339  717.625   27.883  494.474   9.8575  515.015   10.019 -20.54102 14.05554 
1 1 1   -4   12   35 o  1201.28   14.539  3921.46   94.356  3969.26  135.258  3876.14  131.693  1208.35   20.715  1194.20   20.408 14.15051 29.07890 
1 1 1   -4   12   36 o  566.807   7.6143  869.703   23.320  859.852   32.790  879.787   33.173  563.559   10.767  570.054   10.769 -6.495483 15.22865 
1 1 1   -4   12   37 o  551.177   7.4730  822.506   22.255  820.292   31.704  824.658   31.247  550.436   10.659  551.919   10.477 -1.482239 14.94599 
1 1 1   -4   12   38 o  573.004   7.6829  889.008   23.783  869.795   33.204  909.252   34.082  566.652   10.844  579.356   10.887 -12.70422 15.36584 
1 1 1   -4   12   39 o  254.186   6.0443  175.064   8.2892  171.602   11.993  178.231   11.470  251.762   8.8153  256.610   8.2719 -4.847900 12.08856 
1 1 1   -4   12   40 o  575.933   7.7089  898.601   23.982  876.339   33.377  922.362   34.482  568.570   10.864  583.295   10.940 -14.72510 15.41771 
1 1 1   -4   12   41 o  385.310   7.7673  399.312   15.102  393.361   18.267  412.162   26.844  381.075   8.8711  389.545   12.753 -8.469849 15.53458 
1 1 1   -4   12   42 o  280.006   7.4449  215.433   10.356  205.856   18.573  219.754   12.476  275.185   12.490  284.826   8.1057 -9.640533 14.88989 
1 1 1   -4   12   43 o   89.296   20.395   22.793   9.6250   0.0000   0.0000   22.793   9.6250  ?   ?    89.296   20.395      ?      ? 
1 1 1   -4   12   44 o  336.316   8.0632  308.160   14.628  290.766   20.856  325.000   20.521  326.879   11.808  345.753   10.984 -18.87399 16.12639 
1 1 1   -4   12   45 o  306.718   6.9235  252.206   11.174  241.122   14.128  270.721   18.260  298.022   8.7729  315.414   10.713 -17.39160 13.84701 
1 1 1   -4   12   46 o  334.746   5.9486  303.893   10.745  308.600   15.672  299.717   14.760  337.155   8.6020  332.336   8.2188 4.818848 11.89716 
1 1 1   -4   12   47 o  314.638   5.8686  268.843   9.9662  269.350   14.454  268.384   13.760  314.882   8.4947  314.395   8.0996 0.4876404 11.73729 
1 1 1   -4   12   48 o  359.487   6.0358  351.414   11.707  352.131   17.043  350.774   16.108  359.770   8.7667  359.204   8.2988 0.5657654 12.07169 
1 1 1   -4   12   49 f  246.776   5.8914  166.329   7.8191  149.520   11.147  182.611   10.971  234.355   8.8023  259.197   7.8328 -24.84224 11.78280 
1 1 1   -4   12   50 o  335.150   5.9291  305.478   10.720  311.542   15.684  300.162   14.686  338.207   8.5817  332.093   8.1836 6.114227 11.85820 
1 1 1   -4   12   51 o  172.400   9.0877   81.691   7.9670   81.005   9.7307   83.086   13.876  171.920   10.474  172.880   14.854 -0.9601440 18.17549 
1 1 1   -4   12   52 o  350.307   8.8419  339.115   16.713  335.811   24.222  342.117   23.091  348.454   12.864  352.159   12.134 -3.705078 17.68373 
1 1 1   -4   12   53 o   70.599   17.710   13.477   8.4990   16.354   12.415   10.939   11.659   75.227   25.564   65.971   24.515 9.255524 35.41936 
1 1 1   -4   12   54 o   64.493   15.565   6.5150   6.0506   23.108   12.708   1.6510   6.8805   86.201   25.497   42.785   17.859 43.41658 31.12959 
1 1 1   -4   12   55 o   84.855   12.833   21.196   5.6624   23.356   8.6857   19.600   7.4675   88.419   18.760   81.291   17.516 7.128494 25.66633 
1 1 1   -4   12   56 o  229.783   6.1997  144.684   7.6702  149.897   11.418  140.398   10.354  233.416   9.0528  226.151   8.4730 7.264755 12.39938 
1 1 1   -4   12   57 o  132.806   8.5561   47.530   5.9939   65.137   9.4643   35.739   7.7450  152.819   11.461  112.793   12.707 40.02647 17.11229 
1 1 1   -4   12   58 o   74.914   14.135   17.333   5.7773   17.841   8.9255   16.967   7.5793   75.483   21.076   74.345   18.842 1.137344 28.27039 
1 1 1   -4   12   59 o  102.388   13.292   30.196   6.6863   36.126   12.208   27.655   7.9916  106.889   21.873   97.888   15.108 9.000618 26.58334 
1 1 1   -4   12   60 f   66.835   14.815   11.173   6.7497   1.4724   8.8498   24.662   10.436   46.064   19.782   87.606   22.059 -41.54267 29.62975 
1 1 1   -4   12   61 o  158.374   9.5820   72.747   8.0738   76.510   10.731   67.838   12.257  164.108   12.101  152.640   14.860 11.46783 19.16396 
1 1 1   -4   12   62 o  241.381   6.6412  163.572   8.6230  159.528   12.715  167.016   11.734  238.153   9.8802  244.609   8.8773 -6.456619 13.28246 
1 1 1   -4   12   63 o  133.429   9.5585   52.248   6.8157   47.493   10.067   56.272   9.2609  126.917   14.679  139.941   12.247 -13.02365 19.11699 
1 1 1   -4   12   64 o   47.497   14.174   3.4499   6.1362   4.1919   9.6530   2.9468   7.9488   49.777   20.989   45.217   19.055 4.560287 28.34826 
1 1 1   -4   12   65 o  107.805   12.192   38.162   6.6186   36.419   10.734   39.232   8.4069  102.136   20.165  113.474   13.710 -11.33801 24.38415 
1 1 1   -4   12   66 o   73.627   15.254   19.457   6.3727   19.740   10.300   19.282   8.1119   72.530   23.228   74.723   19.780 -2.192390 30.50856 
1 1 1   -4   13    2 o  874.023   15.211  2070.89   71.842   0.0000   0.0000  2070.89   71.842  ?   ?   874.023   15.211      ?      ? 
1 1 1   -4   13    3 f  786.160   19.670  1679.28   83.561   0.0000   0.0000  1679.28   83.561  ?   ?   786.160   19.670      ?      ? 
1 1 1   -4   13    4 o  194.193   11.724  102.095   12.302   0.0000   0.0000  102.095   12.302  ?   ?   194.193   11.724      ?      ? 
1 1 1   -4   13    5 o  545.360   14.539  806.081   42.845   0.0000   0.0000  806.081   42.845  ?   ?   545.360   14.539      ?      ? 
1 1 1   -4   13    6 o  508.539   13.748  700.676   37.778   0.0000   0.0000  700.676   37.778  ?   ?   508.539   13.748      ?      ? 
1 1 1   -4   13    7 o  669.998   17.076  1218.02   61.822   0.0000   0.0000  1218.02   61.822  ?   ?   669.998   17.076      ?      ? 
1 1 1   -4   13    9 o  561.114   7.3604  851.863   22.316  841.599   31.399  862.340   31.723  557.698   10.419  564.530   10.399 -6.832031 14.72076 
1 1 1   -4   13   10 o  934.250   11.424  2366.48   57.670  2368.05   81.744  2364.93   81.373  934.552   16.187  933.947   16.124 0.6045532 22.84727 
1 1 1   -4   13   12 o  1078.75   18.522  3158.22  107.971   0.0000   0.0000  3158.22  107.971  ?   ?   1078.75   18.522      ?      ? 
1 1 1   -4   13   16 o  183.324   5.3924   91.045   5.3283   87.630   7.7256   94.144   7.3584  180.033   7.9414  186.614   7.2971 -6.581207 10.78484 
1 1 1   -4   13   21 o  402.821   5.9210  438.429   12.881  445.191   18.576  432.166   17.878  405.809   8.4711  399.834   8.2748 5.975037 11.84193 
1 1 1   -4   13   22 o  1056.41   12.806  3022.51   73.094  2993.53  102.467  3052.54  104.298  1051.26   18.038  1061.55   18.182 -10.28967 25.61164 
1 1 1   -4   13   23 o  264.555   5.2586  188.834   7.4987  193.939   11.061  184.492   10.201  267.853   7.6421  261.255   7.2256 6.598022 10.51718 
1 1 1   -4   13   24 o  514.416   6.9320  715.542   19.267  717.125   27.464  714.007   27.036  514.973   9.8695  513.858   9.7367 1.114929 13.86402 
1 1 1   -4   13   25 o  787.308   9.8038  1676.01   41.683  1634.30   57.735  1721.41   60.244  777.099   13.749  797.518   13.979 -20.41864 19.60756 
1 1 1   -4   13   26 o  872.108   10.746  2058.82   50.635  2035.96   70.974  2082.50   72.259  867.186   15.146  877.030   15.247 -9.843689 21.49147 
1 1 1   -4   13   27 o  562.391   10.513  855.440   31.950   0.0000   0.0000  855.440   31.950  ?   ?   562.391   10.513      ?      ? 
1 1 1   -4   13   28 f  674.427   8.6151  1230.17   31.386  1205.61   43.693  1256.35   45.114  667.481   12.114  681.372   12.253 -13.89032 17.23023 
1 1 1   -4   13   29 o  927.383   11.384  2330.56   57.043  2309.28   80.080  2352.48   81.274  923.093   16.054  931.672   16.144 -8.578857 22.76746 
1 1 1   -4   13   30 o  522.929   7.1348  739.757   20.160  736.494   28.586  742.986   28.437  521.779   10.139  524.079   10.041 -2.300903 14.26961 
1 1 1   -4   13   31 o  237.771   5.9385  152.695   7.6200  156.270   11.113  149.523   10.468  240.391   8.5552  235.151   8.2383 5.239731 11.87695 
1 1 1   -4   13   32 o  536.811   7.3202  779.647   21.231  782.675   30.294  776.724   29.765  537.830   10.424  535.792   10.281 2.037903 14.64042 
1 1 1   -4   13   33 o  834.522   10.403  1886.47   46.901  1855.60   65.444  1919.05   67.248  827.520   14.635  841.524   14.789 -14.00348 20.80620 
1 1 1   -4   13   34 o  424.286   6.5072  487.006   14.918  479.000   21.061  495.067   21.133  420.783   9.2626  427.789   9.1421 -7.006317 13.01435 
1 1 1   -4   13   35 o  483.574   6.9660  631.845   18.186  607.749   25.075  658.585   26.415  473.869   9.7926  493.279   9.9098 -19.41052 13.93195 
1 1 1   -4   13   36 o  360.562   6.1316  351.636   11.938  354.427   17.236  349.062   16.551  361.929   8.8132  359.195   8.5271 2.733643 12.26311 
1 1 1   -4   13   37 o  498.830   7.0290  673.773   18.945  662.026   26.675  685.730   26.912  494.438   9.9840  503.222   9.8968 -8.783875 14.05801 
1 1 1   -4   13   38 o   91.840   12.442   23.719   5.9137   23.802   8.9114   23.653   7.9052   91.821   18.598   91.859   16.534 -0.3860474E-01 24.88478 
1 1 1   -4   13   39 o  141.797   8.6159   54.464   6.5736   55.506   9.7979   53.611   8.8650  143.003   12.679  140.590   11.669 2.413696 17.23181 
1 1 1   -4   13   40 o  324.077   7.7317  283.665   12.503  281.725   15.010  288.063   22.599  322.517   8.6125  325.638   12.843 -3.120941 15.46336 
1 1 1   -4   13   41 o  463.409   8.3623  577.827   19.424  598.423   34.981  568.645   23.355  468.858   13.807  457.959   9.4379 10.89902 16.72457 
1 1 1   -4   13   42 o  146.936   13.466   58.806   10.692   0.0000   0.0000   58.806   10.692  ?   ?   146.936   13.466      ?      ? 
1 1 1   -4   13   43 o  362.128   8.2919  350.502   15.973  391.892   25.399  323.423   20.544  379.351   12.390  344.905   11.023 34.44550 16.58378 
1 1 1   -4   13   44 o  121.855   9.4316   41.586   6.0512   33.304   8.9667   48.511   8.2000  110.250   15.051  133.460   11.370 -23.20968 18.86311 
1 1 1   -4   13   45 o  399.547   6.3069  433.563   13.598  432.902   19.742  434.160   18.757  399.203   9.1520  399.890   8.6804 -0.6877441 12.61383 
1 1 1   -4   13   46 o  324.854   6.0216  286.403   10.551  290.962   15.442  282.411   14.451  327.231   8.7331  322.477   8.2929 4.754089 12.04324 
1 1 1   -4   13   47 o  277.133   5.9382  208.946   8.8662  206.992   13.017  210.636   12.109  275.853   8.7327  278.412   8.0491 -2.558960 11.87639 
1 1 1   -4   13   48 o  443.460   6.6012  535.917   15.816  524.518   22.380  547.288   22.353  438.707   9.4407  448.214   9.2293 -9.506897 13.20248 
1 1 1   -4   13   49 o  351.247   6.0210  335.962   11.406  335.530   16.645  336.345   15.661  350.949   8.7773  351.545   8.2444 -0.5960083 12.04207 
1 1 1   -4   13   50 f  190.374   8.1650   96.355   8.0516   88.922   9.8946  110.923   13.853  180.224   10.160  200.524   12.784 -20.29970 16.33001 
1 1 1   -4   13   51 o  183.188   10.305   93.399   10.199   91.464   14.458   95.315   14.388  181.229   14.764  185.146   14.382 -3.917191 20.61069 
1 1 1   -4   13   52 o  121.017   14.772   43.694   9.1951   31.824   13.086   55.270   12.923  102.170   24.094  139.863   17.100 -37.69366 29.54490 
1 1 1   -4   13   53 o  141.704   10.849   58.626   7.0378   52.455   13.978   60.721   8.1456  134.883   19.178  148.524   10.149 -13.64113 21.69834 
1 1 1   -4   13   54 o   99.542   11.028   28.536   5.7135   27.372   8.6986   29.419   7.5772   96.615   17.297  102.470   13.684 -5.854652 22.05523 
1 1 1   -4   13   55 o   99.161   10.804   27.601   5.7186   30.141   8.9443   25.844   7.4373  102.697   16.118   95.626   14.393 7.070358 21.60869 
1 1 1   -4   13   56 o  247.294   6.1692  167.495   8.2054  175.555   12.319  161.067   11.001  252.461   9.0299  242.127   8.4083 10.33434 12.33847 
1 1 1   -4   13   57 o  100.435   10.915   28.848   5.8462   29.859   9.0800   28.132   7.6406  101.479   16.559   99.392   14.226 2.086388 21.83042 
1 1 1   -4   13   58 o   43.045   13.132   0.7189   5.5652  -1.2913   8.5997   2.1673   7.2998   42.299   18.792   43.791   18.347 -1.491489 26.26335 
1 1 1   -4   13   59 f  195.329   8.3518  105.276   8.1059  112.905   14.889  102.062   9.6635  198.781   13.862  191.878   9.3201 6.902969 16.70354 
1 1 1   -4   13   60 o  184.592   8.6748   92.163   7.9380  109.167   14.949   85.484   9.3680  194.273   14.240  174.911   9.9116 19.36238 17.34952 
1 1 1   -4   13   61 o  284.750   7.4466  226.970   11.163  222.178   14.214  234.685   18.035  282.105   9.3241  287.396   11.613 -5.290314 14.89312 
1 1 1   -4   13   62 o  173.048   7.9783   85.426   7.4302   85.711   11.009   85.187   10.070  172.896   11.784  173.199   10.759 -0.3029938 15.95651 
1 1 1   -4   13   63 o  138.178   14.098   55.763   10.526   55.763   10.526   0.0000   0.0000  138.178   14.098  ?   ?       ?      ? 
1 1 1   -4   13   64 o  259.762   6.6492  192.910   9.2525  187.689   13.898  197.065   12.400  255.611   10.062  263.913   8.6948 -8.301773 13.29836 
1 1 1   -4   13   65 o   61.284   15.295   11.221   6.5193   20.849   10.475   5.1342   8.3289   74.886   23.355   47.682   19.755 27.20383 30.58961 
1 1 1   -4   13   66 o   59.041   15.268   13.023   6.5747   9.0120   9.8976   16.191   8.7956   52.849   21.678   65.232   21.507 -12.38292 30.53687 
1 1 1   -4   14    1 o  221.177   8.3982  132.460   9.9534  132.117   15.072  132.725   13.255  220.896   12.627  221.458   11.077 -0.5621490 16.79649 
1 1 1   -4   14    2 o  271.387   11.559  199.347   16.951   0.0000   0.0000  199.347   16.951  ?   ?   271.387   11.559      ?      ? 
1 1 1   -4   14    3 o  399.195   5.9769  428.898   12.855  405.081   17.382  457.648   19.098  387.028   8.3115  411.362   8.5914 -24.33359 11.95380 
1 1 1   -4   14    4 o  799.370   9.9421  1730.91   42.944  1722.45   60.534  1739.49   60.933  797.404   14.049  801.335   14.072 -3.931458 19.88417 
1 1 1   -4   14    6 o  486.575   6.6733  639.619   17.530  658.322   25.462  622.765   24.170  493.322   9.5514  479.828   9.3220 13.49405 13.34651 
1 1 1   -4   14    7 o  426.626   6.1885  492.250   14.266  489.176   20.156  495.337   20.196  425.291   8.7706  427.962   8.7331 -2.671539 12.37697 
1 1 1   -4   14    8 o  712.783   8.9830  1373.57   34.564  1333.95   47.597  1417.77   50.275  701.943   12.549  723.623   12.857 -21.68036 17.96598 
1 1 1   -4   14    9 o  1356.01   16.313  5000.31  119.512  5044.62  170.699  4957.69  167.381  1361.85   23.196  1350.16   22.942 11.68640 32.62508 
1 1 1   -4   14   10 f  495.336   6.7749  663.525   18.128  667.968   26.008  659.328   25.281  496.942   9.6852  493.729   9.4759 3.212708 13.54979 
1 1 1   -4   14   11 o  333.210   5.5010  299.711   9.8883  307.993   14.482  292.476   13.535  337.511   7.9404  328.908   7.6153 8.602448 11.00191 
1 1 1   -4   14   12 o  412.375   6.0443  459.644   13.462  465.147   19.384  454.516   18.711  414.755   8.6488  409.995   8.4458 4.759766 12.08855 
1 1 1   -4   14   13 o  570.079   7.5101  878.989   23.133  866.479   32.515  891.812   32.920  565.971   10.632  574.187   10.610 -8.215515 15.02022 
1 1 1   -4   14   14 o  310.557   7.5187  260.730   12.617   0.0000   0.0000  260.730   12.617  ?   ?   310.557   7.5187      ?      ? 
1 1 1   -4   14   15 o  488.379   6.7234  644.594   17.733  656.189   25.604  633.906   24.583  492.591   9.6191  484.165   9.3963 8.425934 13.44683 
1 1 1   -4   14   16 o  802.968   9.9763  1745.18   43.284  1753.14   61.599  1737.41   60.834  804.772   14.165  801.164   14.052 3.607361 19.95263 
1 1 1   -4   14   17 o  1216.35   14.664  4012.04   96.376  3986.53  135.464  4038.20  137.143  1212.45   20.676  1220.25   20.799 -7.804810 29.32739 
1 1 1   -4   14   18 o  845.295   14.790  1933.95   67.556   0.0000   0.0000  1933.95   67.556  ?   ?   845.295   14.790      ?      ? 
1 1 1   -4   14   19 o  424.462   8.7530  487.074   20.076  487.074   20.076   0.0000   0.0000  424.462   8.7530  ?   ?       ?      ? 
1 1 1   -4   14   20 o  392.500   5.9247  416.139   12.561  403.857   17.476  429.265   18.066  386.513   8.3673  398.486   8.3902 -11.97241 11.84933 
1 1 1   -4   14   21 o  534.597   10.066  772.826   29.080   0.0000   0.0000  772.826   29.080  ?   ?   534.597   10.066      ?      ? 
1 1 1   -4   14   22 o  500.882   6.8445  678.367   18.525  670.106   26.111  686.739   26.286  497.811   9.7065  503.954   9.6527 -6.142670 13.68907 
1 1 1   -4   14   23 o  238.798   5.4732  154.301   7.0493  151.467   10.235  156.860   9.7232  236.705   8.0017  240.891   7.4696 -4.186218 10.94638 
1 1 1   -4   14   24 o  220.264   5.6821  131.077   6.7514  132.505   9.8643  129.818   9.2601  221.389   8.2456  219.139   7.8200 2.249359 11.36410 
1 1 1   -4   14   25 o  512.493   7.0071  710.273   19.404  711.240   27.608  709.329   27.277  512.835   9.9624  512.151   9.8563 0.6841431 14.01417 
1 1 1   -4   14   27 o  215.551   6.0620  125.975   7.0420  118.337   10.114  133.161   9.8105  209.185   8.9476  221.918   8.1811 -12.73235 12.12399 
1 1 1   -4   14   28 o  630.514   8.2010  1074.45   27.920  1040.38   38.571  1111.95   40.467  620.036   11.512  640.992   11.683 -20.95660 16.40208 
1 1 1   -4   14   29 o  316.353   5.9325  270.533   10.130  272.464   14.701  268.787   13.979  317.421   8.5706  315.284   8.2051 2.137604 11.86504 
1 1 1   -4   14   30 o  808.742   10.125  1766.93   44.162  1698.16   60.211  1846.99   64.969  791.794   14.073  825.690   14.561 -33.89569 20.25018 
1 1 1   -4   14   31 o  475.372   6.8304  610.809   17.538  592.879   24.365  630.083   25.263  468.141   9.6318  482.603   9.6874 -14.46124 13.66076 
1 1 1   -4   14   32 o  326.504   6.1021  288.421   10.759  285.506   15.458  291.160   14.983  324.896   8.8048  328.111   8.4509 -3.214966 12.20414 
1 1 1   -4   14   33 o  323.182   6.1196  282.408   10.671  285.036   15.552  280.069   14.670  324.592   8.8664  321.771   8.4372 2.821045 12.23926 
1 1 1   -4   14   34 o  164.058   7.8854   72.583   6.9744   79.617   10.218   66.449   9.5429  171.473   11.028  156.644   11.274 14.82898 15.77077 
1 1 1   -4   14   35 o  505.797   7.1330  692.568   19.495  686.997   27.521  698.180   27.620  503.753   10.110  507.841   10.065 -4.088287 14.26600 
1 1 1   -4   14   36 o  239.803   6.2774  156.149   8.1091  146.354   11.677  165.271   11.269  232.495   9.2949  247.110   8.4396 -14.61482 12.55476 
1 1 1   -4   14   37 o  351.514   8.4937  334.490   16.134   0.0000   0.0000  334.490   16.134  ?   ?   351.514   8.4937      ?      ? 
1 1 1   -4   14   38 o  206.219   6.5643  114.960   7.2887  117.795   10.830  112.612   9.8547  208.520   9.6114  203.918   8.9433 4.601654 13.12864 
1 1 1   -4   14   39 o  243.869   8.1109  158.364   10.134  152.201   12.377  170.901   17.654  236.965   9.6658  250.772   13.028 -13.80762 16.22187 
1 1 1   -4   14   40 o  580.068   10.973  912.662   34.284  851.576   46.283  986.937   51.035  558.754   15.329  601.383   15.705 -42.62964 21.94569 
1 1 1   -4   14   41 o  219.574   11.082  130.991   13.149   0.0000   0.0000  130.991   13.149  ?   ?   219.574   11.082      ?      ? 
1 1 1   -4   14   42 o  455.775   8.0430  559.468   18.930  546.488   23.406  584.009   32.184  448.640   9.6548  462.910   12.866 -14.26959 16.08599 
1 1 1   -4   14   43 o   50.750   14.085   4.3498   5.6023   3.6613   8.6327   4.8507   7.3636   51.137   20.510   50.362   19.310 0.7756805 28.17014 
1 1 1   -4   14   44 o  337.080   6.0374  308.290   10.970  310.591   16.112  306.303   14.978  338.199   8.8165  335.961   8.2506 2.237915 12.07488 
1 1 1   -4   14   45 o  202.753   6.7146  113.188   7.2442  102.323   10.920  121.728   9.6813  193.816   10.427  211.690   8.4634 -17.87396 13.42917 
1 1 1   -4   14   46 o  254.023   6.0483  175.072   8.2646  179.636   12.356  171.376   11.118  256.944   8.8992  251.102   8.1935 5.842392 12.09670 
1 1 1   -4   14   47 o  278.043   5.9184  209.754   8.8617  216.599   13.170  204.091   11.979  282.116   8.6390  273.970   8.0917 8.145538 11.83673 
1 1 1   -4   14   48 o  209.661   6.3224  119.509   7.1331  122.701   10.641  116.904   9.6129  212.129   9.2828  207.193   8.5860 4.935486 12.64478 
1 1 1   -4   14   49 o  166.608   9.4283   69.782   7.9389   58.588   9.4141   97.342   14.772  145.935   11.938  187.281   14.596 -41.34633 18.85650 
1 1 1   -4   14   50 o  141.943   12.744   57.027   9.7419   62.095   13.762   51.937   13.792  148.572   17.142  135.314   18.863 13.25728 25.48819 
1 1 1   -4   14   51 o  230.130   9.3549  146.952   11.633  147.883   16.514  146.036   16.390  230.849   13.239  229.411   13.221 1.438034 18.70986 
1 1 1   -4   14   52 f   97.279   13.222   23.540   6.3491   40.090   12.216   17.416   7.4316  117.962   19.165   76.596   18.220 41.36613 26.44402 
1 1 1   -4   14   53 o  138.714   8.4304   54.477   6.1821   46.081   9.2518   61.251   8.3097  128.396   13.335  149.031   10.319 -20.63582 16.86086 
1 1 1   -4   14   54 o  151.514   7.7631   63.538   6.3074   64.803   9.5639   62.564   8.3908  152.619   11.597  150.410   10.324 2.209045 15.52623 
1 1 1   -4   14   55 o   75.627   13.789   17.423   5.5955   17.203   8.8989   17.567   7.1961   74.761   21.104   76.492   17.752 -1.731316 27.57775 
1 1 1   -4   14   56 o  175.540   7.2395   85.532   6.8044   85.665   10.338   85.431   9.0381  175.339   10.911  175.740   9.5175 -0.4001465 14.47895 
1 1 1   -4   14   57 o  121.880   10.161   44.401   6.3172   34.953   10.010   50.653   8.1437  109.269   16.953  134.491   11.206 -25.22194 20.32200 
1 1 1   -4   14   58 o  164.980   7.8080   76.942   6.8724   70.175   10.268   82.432   9.2497  157.799   12.042  172.161   9.9427 -14.36150 15.61609 
1 1 1   -4   14   59 o  177.004   7.5503   88.239   7.1439   85.619   10.823   90.262   9.5096  174.137   11.502  179.871   9.7839 -5.734329 15.10053 
1 1 1   -4   14   60 o   46.409   14.476   0.7700   6.7140  -2.6869   12.412   2.2000   7.9827   48.051   21.850   44.767   18.993 3.283485 28.95111 
1 1 1   -4   14   61 o   41.612   13.249  -5.3398   6.9798   4.8618   9.3150 -18.4009   10.540   49.933   20.806   33.290   16.409 16.64309 26.49843 
1 1 1   -4   14   62 o  135.587   12.775   51.197   8.0629   10.532   9.9706  128.040   13.706   59.609   22.562  211.565   11.989 -151.9565 25.54938 
1 1 1   -4   14   63 o  141.703   9.2136   57.521   6.9587   70.072   10.972   49.077   9.0004  154.161   13.171  129.246   12.887 24.91483 18.42725 
1 1 1   -4   14   64 o   66.341   15.371   14.801   6.4498   22.487   10.197   9.6751   8.3270   77.937   22.779   54.745   20.643 23.19249 30.74145 
1 1 1   -4   14   65 o   92.169   14.017   29.764   6.7119   29.330   10.303   30.084   8.8464   89.552   21.552   94.785   17.929 -5.232536 28.03472 
1 1 1   -4   15    2 o  707.388   8.9489  1354.20   34.201  1368.00   48.935  1341.02   47.819  710.902   12.738  703.874   12.572 7.028015 17.89783 
1 1 1   -4   15    3 o  291.458   5.4816  229.611   8.6282  231.385   12.437  227.965   11.980  292.540   7.8674  290.376   7.6352 2.163727 10.96321 
1 1 1   -4   15    4 o  380.252   5.8648  390.766   12.046  397.959   17.321  384.027   16.765  383.637   8.3554  376.866   8.2324 6.770813 11.72968 
1 1 1   -4   15    5 f  385.788   5.9116  402.396   12.323  397.882   17.340  407.003   17.516  383.602   8.3655  387.974   8.3550 -4.372101 11.82315 
1 1 1   -4   15    6 f  667.208   8.5316  1203.51   30.736  1232.55   44.523  1177.08   42.484  674.877   12.209  659.539   11.921 15.33734 17.06322 
1 1 1   -4   15    7 o  555.322   7.3755  834.041   22.128  839.988   31.636  828.345   30.964  557.255   10.506  553.389   10.355 3.866394 14.75106 
1 1 1   -4   15    8 o  202.786   5.4873  110.952   6.0059  118.540   8.7007  104.047   8.3007  209.396   7.6895  196.176   7.8303 13.22038 10.97462 
1 1 1   -4   15   10 o  201.031   7.6622  109.255   8.3235   0.0000   0.0000  109.255   8.3235  ?   ?   201.031   7.6622      ?      ? 
1 1 1   -4   15   11 o  720.471   9.1084  1404.77   35.461  1402.08   50.216  1407.44   50.082  719.781   12.911  721.160   12.852 -1.379333 18.21688 
1 1 1   -4   15   12 o  189.788   5.8877   96.964   6.0099  101.524   9.0237   93.329   8.0568  193.777   8.6178  185.800   8.0247 7.976898 11.77543 
1 1 1   -4   15   13 o   76.253   11.373   15.964   4.5235   20.357   6.9210   12.687   5.9769   85.385   15.574   67.121   16.577 18.26324 22.74522 
1 1 1   -4   15   14 o  529.024   7.1297  756.739   20.378  760.356   29.116  753.266   28.531  530.259   10.161  527.788   10.004 2.471130 14.25943 
1 1 1   -4   15   15 o  483.654   6.7189  632.396   17.557  636.959   25.078  628.009   24.589  485.363   9.5620  481.945   9.4416 3.417572 13.43783 
1 1 1   -4   15   16 o  639.133   11.640  1104.84   40.200   0.0000   0.0000  1104.84   40.200  ?   ?   639.133   11.640      ?      ? 
1 1 1   -4   15   17 o  650.903   8.3632  1145.42   29.403  1163.40   42.316  1128.64   40.886  655.834   11.941  645.973   11.713 9.860779 16.72641 
1 1 1   -4   15   18 o   73.692   11.917   15.375   4.8057   10.327   7.0335   19.795   6.5816   61.861   19.112   85.524   14.242 -23.66251 23.83464 
1 1 1   -4   15   19 o  770.319   9.6398  1605.81   40.125  1605.88   56.926  1605.74   56.566  770.332   13.676  770.306   13.590 0.2600098E-01 19.27950 
1 1 1   -4   15   20 o  814.290   10.146  1794.73   44.645  1793.11   63.285  1796.34   62.990  813.919   14.389  814.660   14.309 -0.7403564 20.29268 
1 1 1   -4   15   21 o  1033.86   12.583  2894.85   70.277  2852.48   97.983  2939.74  100.851  1026.09   17.672  1041.62   17.918 -15.53748 25.16609 
1 1 1   -4   15   22 o  721.626   9.1396  1406.29   35.591  1358.25   48.816  1460.82   52.002  708.508   12.751  734.744   13.098 -26.23572 18.27921 
1 1 1   -4   15   23 o  998.642   17.285  2702.08   93.276   0.0000   0.0000  2702.08   93.276  ?   ?   998.642   17.285      ?      ? 
1 1 1   -4   15   24 o  544.838   7.3731  802.868   21.706  793.289   30.550  812.633   30.847  541.556   10.439  548.120   10.415 -6.564453 14.74622 
1 1 1   -4   15   25 o  165.986   6.9755   74.638   6.2468   70.852   8.9171   78.286   8.7537  161.840   10.196  170.132   9.5217 -8.291840 13.95102 
1 1 1   -4   15   26 o  419.730   6.4049  476.346   14.525  465.257   20.372  487.810   20.714  414.762   9.0896  424.699   9.0261 -9.937012 12.80986 
1 1 1   -4   15   27 o  912.792   11.275  2253.23   55.530  2176.33   76.051  2341.05   81.271  896.187   15.704  929.398   16.182 -33.21045 22.54986 
1 1 1   -4   15   28 o  781.041   9.8434  1648.30   41.479  1586.89   56.755  1718.70   60.770  765.488   13.721  796.593   14.118 -31.10461 19.68682 
1 1 1   -4   15   29 o  325.545   6.1565  286.675   10.824  285.349   15.546  287.923   15.080  324.808   8.8572  326.282   8.5532 -1.473694 12.31291 
1 1 1   -4   15   31 o  824.459   10.343  1839.53   46.030  1781.80   63.338  1904.15   67.008  810.803   14.456  838.114   14.796 -27.31158 20.68580 
1 1 1   -4   15   32 o  629.288   11.723  1072.57   39.865   0.0000   0.0000  1072.57   39.865  ?   ?   629.288   11.723      ?      ? 
1 1 1   -4   15   33 o  589.838   7.9151  940.815   25.208  908.925   34.817  975.945   36.544  579.357   11.121  600.319   11.265 -20.96210 15.83011 
1 1 1   -4   15   34 o  644.453   8.4564  1122.18   29.392  1072.59   40.079  1179.89   43.234  629.123   11.789  659.784   12.126 -30.66125 16.91271 
1 1 1   -4   15   35 o  293.677   6.2284  232.581   9.8501  244.012   14.673  223.202   13.290  300.204   9.0449  287.150   8.5650 13.05438 12.45670 
1 1 1   -4   15   36 o  298.328   6.1599  240.488   9.9092  247.982   14.578  234.050   13.511  302.626   8.9144  294.031   8.5035 8.595062 12.31974 
1 1 1   -4   15   37 o  412.784   6.4666  461.774   14.414  454.372   20.676  468.773   20.104  409.541   9.3430  416.027   8.9429 -6.485870 12.93317 
1 1 1   -4   15   38 o  277.282   12.873  208.986   19.289  208.986   19.289   0.0000   0.0000  277.282   12.873  ?   ?       ?      ? 
1 1 1   -4   15   39 f  163.142   16.897   72.770   14.896   72.770   14.896   0.0000   0.0000  163.142   16.897  ?   ?       ?      ? 
1 1 1   -4   15   40 o  446.277   12.616  542.117   30.424   0.0000   0.0000  542.117   30.424  ?   ?   446.277   12.616      ?      ? 
1 1 1   -4   15   41 o  174.635   7.5400   83.421   7.0309   79.282   10.648   86.620   9.3621  170.678   11.545  178.592   9.7012 -7.913879 15.07991 
1 1 1   -4   15   42 f  439.078   9.2256  523.714   21.889   0.0000   0.0000  523.714   21.889  ?   ?   439.078   9.2256      ?      ? 
1 1 1   -4   15   43 o  125.756   9.1533   43.254   6.1370   42.857   9.4582   43.542   8.0652  125.142   13.987  126.369   11.811 -1.227074 18.30650 
1 1 1   -4   15   44 o  140.389   8.6454   55.227   6.3806   45.973   9.6744   62.352   8.4885  129.493   13.826  151.286   10.383 -21.79301 17.29078 
1 1 1   -4   15   45 o  422.101   6.5031  484.504   14.822  459.211   20.604  511.630   21.337  410.667   9.2846  433.536   9.1080 -22.86880 13.00618 
1 1 1   -4   15   46 o  188.928   6.8149   98.088   6.8840   90.938   10.281  103.899   9.2684  182.493   10.426  195.363   8.7796 -12.87057 13.62984 
1 1 1   -4   15   47 o  317.368   6.0297  273.688   10.282  279.643   15.457  268.963   13.769  320.339   8.9297  314.398   8.1049 5.940186 12.05941 
1 1 1   -4   15   48 o   83.193   16.624   19.825   7.5887   17.280   9.5035   24.302   12.607   76.569   21.878   89.817   25.037 -13.24781 33.24867 
1 1 1   -4   15   49 o  189.918   10.462  100.471   10.702  111.036   15.304   90.360   14.971  199.928   14.166  179.908   15.399 20.01917 20.92406 
1 1 1   -4   15   50 o  267.631   9.2001  198.458   13.293  210.428   19.039  187.072   18.568  275.618   12.784  259.643   13.234 15.97488 18.40020 
1 1 1   -4   15   51 o  168.265   9.2658   76.206   7.5975   85.158   14.577   72.868   8.9021  173.801   15.522  162.729   10.124 11.07204 18.53152 
1 1 1   -4   15   52 o  267.750   6.1044  197.048   8.8058  185.090   12.672  208.214   12.246  259.693   9.0302  275.807   8.2164 -16.11441 12.20881 
1 1 1   -4   15   53 o  189.572   6.8758   98.941   6.9808  100.456   10.634   97.793   9.2538  190.598   10.325  188.545   9.0828 2.053528 13.75161 
1 1 1   -4   15   54 o  188.100   7.1731   97.731   7.2109   98.847   11.067   96.907   9.5058  188.716   10.852  187.484   9.3829 1.231705 14.34620 
1 1 1   -4   15   55 f  128.490   9.3321   47.846   6.2495   40.776   9.7478   52.780   8.1432  119.347   15.115  137.632   10.949 -18.28532 18.66413 
1 1 1   -4   15   56 o   94.936   13.135   29.543   6.3922   17.070   9.8736   38.543   8.3871   73.365   22.641  116.506   13.322 -43.14188 26.26941 
1 1 1   -4   15   57 o  150.537   8.4164   64.890   6.7134   55.424   9.9931   72.677   9.0633  139.633   13.244  161.441   10.389 -21.80881 16.83283 
1 1 1   -4   15   58 o  199.308   7.1533  111.015   7.6397  110.777   11.556  111.200   10.182  198.684   10.764  199.933   9.4248 -1.248611 14.30666 
1 1 1   -4   15   59 o   65.403   15.305   13.631   6.3041   12.134   9.7725   14.697   8.2503   62.985   22.592   67.822   20.655 -4.836933 30.61082 
1 1 1   -4   15   60 o   46.454   14.149   1.3811   6.4767   6.5195   9.9295  -2.4240   8.5447   53.059   21.732   39.850   18.124 13.20901 28.29816 
1 1 1   -4   15   61 o   46.899   14.949  -2.7355   7.1722   6.4054   13.541  -6.2995   8.4556   57.569   24.589   36.229   17.009 21.33968 29.89844 
1 1 1   -4   15   62 o  180.508   8.9192   94.641   8.6583   95.111   11.723   94.077   12.842  181.649   11.943  179.366   13.250 2.283249 17.83839 
1 1 1   -4   15   63 o  141.293   9.6156   60.701   7.2600   58.361   10.932   62.546   9.7105  137.552   14.708  145.034   12.390 -7.482285 19.23118 
1 1 1   -4   15   64 o  110.757   11.625   38.772   6.8658   39.594   10.587   38.175   9.0195  110.418   17.744  111.096   15.024 -0.6781387 23.25047 
1 1 1   -4   16    1 o  502.599   7.0091  683.127   19.034  685.564   27.136  680.767   26.705  503.478   9.9744  501.719   9.8500 1.758423 14.01823 
1 1 1   -4   16    2 o  846.555   10.498  1940.33   48.020  1925.43   67.433  1955.66   68.398  843.264   14.799  849.846   14.894 -6.581970 20.99601 
1 1 1   -4   16    3 o  493.707   6.8684  658.898   18.317  669.204   26.321  649.218   25.508  497.445   9.7918  489.968   9.6343 7.477173 13.73676 
1 1 1   -4   16    4 o  253.482   5.5168  173.713   7.5540  167.815   10.645  179.695   10.721  249.146   7.9069  257.818   7.6956 -8.671799 11.03369 
1 1 1   -4   16    7 o  657.622   8.4646  1168.77   30.059  1138.07   41.589  1202.34   43.496  648.599   11.866  666.646   12.075 -18.04767 16.92926 
1 1 1   -4   16    9 o  845.201   10.479  1933.60   47.858  1919.15   67.311  1948.38   68.057  842.009   14.794  848.392   14.845 -6.382935 20.95807 
1 1 1   -4   16   10 o  596.135   11.172  961.162   35.988  961.162   35.988   0.0000   0.0000  596.135   11.172  ?   ?       ?      ? 
1 1 1   -4   16   11 o  558.232   7.4924  842.722   22.600  838.632   32.002  846.790   31.921  556.879   10.635  559.585   10.557 -2.705811 14.98484 
1 1 1   -4   16   14 o  245.376   8.0006  162.760   10.608   0.0000   0.0000  162.760   10.608  ?   ?   245.376   8.0006      ?      ? 
1 1 1   -4   16   15 o  434.868   8.9729  511.289   21.085   0.0000   0.0000  511.289   21.085  ?   ?   434.868   8.9729      ?      ? 
1 1 1   -4   16   16 o  424.005   6.3651  486.048   14.580  487.264   20.876  484.890   20.371  424.520   9.1002  423.491   8.9019 1.029114 12.73018 
1 1 1   -4   16   17 o  713.352   9.0599  1376.86   34.923  1376.58   49.518  1377.14   49.259  713.277   12.848  713.427   12.778 -0.1499023 18.11982 
1 1 1   -4   16   19 o  392.536   8.6199  416.585   18.284   0.0000   0.0000  416.585   18.284  ?   ?   392.536   8.6199      ?      ? 
1 1 1   -4   16   20 o  571.117   7.6323  882.090   23.553  871.079   33.084  893.405   33.538  567.504   10.788  574.730   10.799 -7.225952 15.26466 
1 1 1   -4   16   21 o  255.696   8.2595  176.764   11.412   0.0000   0.0000  176.764   11.412  ?   ?   255.696   8.2595      ?      ? 
1 1 1   -4   16   22 o  644.707   8.3822  1124.69   29.201  1114.72   41.235  1134.71   41.358  641.838   11.889  647.576   11.819 -5.737488 16.76435 
1 1 1   -4   16   23 o  411.144   6.3380  457.109   14.079  446.338   19.818  468.083   20.005  406.251   9.0277  416.036   8.8984 -9.784058 12.67596 
1 1 1   -4   16   24 o  320.911   5.9962  278.530   10.396  275.868   14.802  281.121   14.605  319.394   8.5762  322.427   8.3826 -3.033020 11.99247 
1 1 1   -4   16   25 o  669.007   8.6908  1207.91   31.360  1155.67   42.794  1268.50   46.089  653.446   12.120  684.568   12.459 -31.12213 17.38156 
1 1 1   -4   16   26 f  589.035   7.9125  938.894   25.185  933.586   35.605  944.208   35.628  587.367   11.218  590.703   11.162 -3.336426 15.82509 
1 1 1   -4   16   27 o  943.479   11.674  2409.49   59.430  2335.33   81.461  2493.89   86.896  928.042   16.244  958.916   16.770 -30.87396 23.34746 
1 1 1   -4   16   28 o  722.354   13.091  1413.11   51.099   0.0000   0.0000  1413.11   51.099  ?   ?   722.354   13.091      ?      ? 
1 1 1   -4   16   29 o  256.758   9.0266  178.329   12.524   0.0000   0.0000  178.329   12.524  ?   ?   256.758   9.0266      ?      ? 
1 1 1   -4   16   30 o  416.181   9.1670  468.664   20.616   0.0000   0.0000  468.664   20.616  ?   ?   416.181   9.1670      ?      ? 
1 1 1   -4   16   31 o  1107.23   19.098  3334.14  114.268   0.0000   0.0000  3334.14  114.268  ?   ?   1107.23   19.098      ?      ? 
1 1 1   -4   16   32 o  127.497   10.097   44.084   6.9360   44.279   10.218   43.917   9.4454  127.739   14.803  127.255   13.736 0.4838791 20.19430 
1 1 1   -4   16   33 f  525.047   7.3770  746.172   20.921  719.837   29.109  774.307   30.087  515.470   10.451  534.623   10.415 -19.15240 14.75401 
1 1 1   -4   16   34 o  209.650   9.4937  119.040   10.755   0.0000   0.0000  119.040   10.755  ?   ?   209.650   9.4937      ?      ? 
1 1 1   -4   16   35 f  557.412   7.6697  842.351   23.101  833.788   32.668  850.915   32.671  554.569   10.901  560.255   10.792 -5.685913 15.33943 
1 1 1   -4   16   36 o  311.528   8.6539  265.100   14.430  223.131   20.390  307.207   20.424  286.556   13.168  336.499   11.232 -49.94235 17.30790 
1 1 1   -4   16   37 o  357.922   13.048  348.423   25.237  348.423   25.237   0.0000   0.0000  357.922   13.048  ?   ?       ?      ? 
1 1 1   -4   16   38 o  403.375   13.299  443.018   28.987  443.018   28.987   0.0000   0.0000  403.375   13.299  ?   ?       ?      ? 
1 1 1   -4   16   39 o   88.121   15.177   18.018   6.8128   35.541   13.056   11.461   7.9864  111.435   22.457   64.806   20.422 46.62949 30.35429 
1 1 1   -4   16   40 o  306.140   6.1531  255.025   10.148  243.113   14.716  265.824   14.012  299.243   9.1010  313.038   8.2834 -13.79504 12.30623 
1 1 1   -4   16   41 o  147.208   8.3756   58.787   6.6155   61.418   10.056   56.780   8.7840  150.033   12.403  144.382   11.259 5.651993 16.75126 
1 1 1   -4   16   42 o  207.051   6.7150  115.847   7.4287  121.029   11.499  112.136   9.7321  210.919   10.089  203.182   8.8641 7.737442 13.43010 
1 1 1   -4   16   43 o  443.574   6.6591  535.211   15.942  539.186   23.161  531.632   21.976  445.067   9.6302  442.082   9.1995 2.985260 13.31811 
1 1 1   -4   16   44 o  178.145   7.1293   85.701   6.7995   92.608   10.494   80.702   8.9272  184.194   10.543  172.096   9.5997 12.09854 14.25859 
1 1 1   -4   16   45 f  152.351   7.8698   63.177   6.4041   65.470   9.9075   61.531   8.3933  154.589   11.860  150.113   10.347 4.475754 15.73962 
1 1 1   -4   16   46 o  369.232   6.2545  371.599   12.469  370.025   17.980  373.057   17.307  368.411   9.0315  370.053   8.6548 -1.641785 12.50893 
1 1 1   -4   16   47 o  359.388   9.1470  356.359   17.756  364.640   25.571  348.649   24.674  363.365   13.023  355.411   12.848 7.953735 18.29405 
1 1 1   -4   16   48 o  228.921   9.5546  145.185   11.814  139.077   16.535  151.554   16.884  223.939   13.664  233.903   13.358 -9.963318 19.10920 
1 1 1   -4   16   49 o  213.387   9.5686  126.512   11.032  123.694   15.459  129.437   15.747  210.953   13.562  215.821   13.502 -4.868347 19.13721 
1 1 1   -4   16   50 o   75.337   14.223   17.242   5.8729   15.254   9.2683   18.575   7.5915   71.525   21.913   79.149   18.138 -7.624237 28.44614 
1 1 1   -4   16   51 o  250.070   6.2391  172.025   8.3972  164.598   12.269  178.570   11.517  244.781   9.2759  255.359   8.3466 -10.57793 12.47827 
1 1 1   -4   16   52 o  130.329   9.2517   47.605   6.4179   47.738   9.9654   47.511   8.3894  130.070   14.178  130.588   11.889 -0.5173645 18.50333 
1 1 1   -4   16   53 o  119.215   10.151   41.611   6.2848   32.657   9.5492   48.453   8.3475  106.597   16.578  131.833   11.718 -25.23587 20.30112 
1 1 1   -4   16   54 o  121.276   9.5197   40.203   6.1318   50.842   9.7797   33.312   7.8712  134.032   13.503  108.520   13.423 25.51205 19.03941 
1 1 1   -4   16   55 o  184.795   7.3250   94.652   7.2508   98.452   11.092   91.816   9.5814  187.704   10.936  181.887   9.7485 5.817764 14.64997 
1 1 1   -4   16   56 o   56.106   14.970   8.1685   6.1385   8.3283   9.5030   8.0540   8.0414   57.195   21.935   55.016   20.376 2.179485 29.93903 
1 1 1   -4   16   57 o   45.214   13.482  -2.2122   6.0460   9.2292   9.5937  -9.7498   7.7869   58.319   22.117   32.109   15.424 26.21010 26.96422 
1 1 1   -4   16   58 o  232.900   6.7546  149.681   8.4291  163.481   12.972  139.594   11.090  241.800   9.9277  223.999   9.1618 17.80142 13.50917 
1 1 1   -4   16   59 o  220.430   7.0346  136.256   8.2907  142.204   12.784  131.939   10.892  223.971   10.563  216.889   9.2934 7.081924 14.06923 
1 1 1   -4   16   60 o  128.429   10.472   48.141   7.2215   56.243   10.787   41.560   9.7213  138.400   14.424  118.458   15.187 19.94136 20.94497 
1 1 1   -4   16   61 o   71.944   17.652   16.744   7.6166   22.793   14.982   14.636   8.8449   77.641   27.960   66.248   21.554 11.39375 35.30358 
1 1 1   -4   16   62 o  157.054   11.882   75.043   8.7392   88.513   17.681   70.688   10.053  159.760   20.481  154.348   12.053 5.411362 23.76465 
1 1 1   -4   16   63 o   64.012   16.777   15.137   7.7180   15.709   10.544   14.477   11.328   65.076   23.454   62.947   23.995 2.129002 33.55344 
1 1 1   -4   17    1 o  538.663   10.437  784.635   30.380   0.0000   0.0000  784.635   30.380  ?   ?   538.663   10.437      ?      ? 
1 1 1   -4   17    2 o  593.466   7.8752  952.067   25.248  933.878   35.196  971.349   36.238  587.632   11.084  599.299   11.190 -11.66754 15.75031 
1 1 1   -4   17    3 o  1203.36   14.543  3925.44   94.568  3918.89  133.592  3932.02  133.885  1202.35   20.562  1204.36   20.573 -2.010742 29.08642 
1 1 1   -4   17    5 o  1364.24   16.417  5049.58  121.028  5044.27  171.136  5054.90  171.182  1363.52   23.227  1364.96   23.209 -1.440796 32.83491 
1 1 1   -4   17    6 o  727.609   9.2505  1432.24   36.370  1421.75   51.275  1442.86   51.597  724.927   13.089  730.291   13.075 -5.363586 18.50109 
1 1 1   -4   17    8 o  721.818   9.1829  1409.51   35.817  1398.11   50.449  1421.10   50.858  718.875   12.987  724.762   12.986 -5.887878 18.36575 
1 1 1   -4   17    9 f  939.013   11.563  2386.42   58.655  2348.68   81.690  2426.57   84.270  931.369   16.232  946.657   16.474 -15.28729 23.12678 
1 1 1   -4   17   10 o  898.097   11.096  2182.75   53.833  2147.18   75.011  2220.53   77.304  890.568   15.587  905.627   15.797 -15.05865 22.19221 
1 1 1   -4   17   11 o  975.612   11.963  2577.17   63.055  2542.45   88.076  2613.67   90.312  968.887   16.823  982.338   17.014 -13.45050 23.92636 
1 1 1   -4   17   15 f  969.493   11.896  2544.83   62.300  2505.54   86.849  2586.48   89.419  961.803   16.711  977.183   16.934 -15.37994 23.79102 
1 1 1   -4   17   16 o  439.217   6.5685  520.588   15.572  500.065   21.413  543.625   22.687  430.050   9.2145  448.384   9.3634 -18.33417 13.13695 
1 1 1   -4   17   17 o  755.467   13.505  1544.61   55.133   0.0000   0.0000  1544.61   55.133  ?   ?   755.467   13.505      ?      ? 
1 1 1   -4   17   18 o  545.208   7.4626  803.802   21.983  790.910   30.796  817.196   31.390  540.753   10.539  549.664   10.568 -8.910950 14.92528 
1 1 1   -4   17   19 o  595.193   11.207  958.399   36.043   0.0000   0.0000  958.399   36.043  ?   ?   595.193   11.207      ?      ? 
1 1 1   -4   17   20 o  675.818   8.7569  1235.70   31.972  1213.49   44.651  1259.08   45.803  669.591   12.341  682.044   12.428 -12.45276 17.51389 
1 1 1   -4   17   21 o  131.458   12.723   46.783   9.0381   0.0000   0.0000   46.783   9.0381  ?   ?   131.458   12.723      ?      ? 
1 1 1   -4   17   22 o  174.389   11.021   82.286   10.385   82.286   10.385   0.0000   0.0000  174.389   11.021  ?   ?       ?      ? 
1 1 1   -4   17   23 o  911.540   11.326  2234.55   55.472  2099.77   73.832  2409.25   84.059  880.305   15.521  942.775   16.500 -62.46960 22.65299 
1 1 1   -4   17   24 o  394.815   9.2032  421.616   19.635   0.0000   0.0000  421.616   19.635  ?   ?   394.815   9.2032      ?      ? 
1 1 1   -4   17   25 o  580.609   7.8944  910.307   24.738  870.487   33.978  955.222   36.086  567.135   11.087  594.083   11.241 -26.94794 15.78889 
1 1 1   -4   17   26 o  1022.16   12.554  2832.06   69.285  2762.92   95.714  2908.17  100.424  1009.12   17.553  1035.20   17.952 -26.08600 25.10761 
1 1 1   -4   17   27 o  669.363   8.7760  1211.06   31.707  1168.23   43.582  1259.23   46.213  656.828   12.279  681.898   12.542 -25.07007 17.55203 
1 1 1   -4   17   28 o  327.218   6.3896  289.521   11.289  273.875   15.769  305.973   16.169  318.147   9.1725  336.289   8.8981 -18.14148 12.77927 
1 1 1   -4   17   29 o  452.874   6.8776  555.183   16.828  546.342   23.893  563.883   23.703  449.287   9.8417  456.461   9.6099 -7.174133 13.75529 
1 1 1   -4   17   30 o  574.786   10.974  894.719   34.085   0.0000   0.0000  894.719   34.085  ?   ?   574.786   10.974      ?      ? 
1 1 1   -4   17   31 o  395.291   6.5649  423.217   14.016  416.006   20.028  430.138   19.621  391.975   9.4557  398.607   9.1095 -6.632599 13.12984 
1 1 1   -4   17   32 o  803.235   10.156  1752.28   44.074  1727.14   61.742  1778.40   62.936  797.371   14.330  809.099   14.395 -11.72766 20.31132 
1 1 1   -4   17   33 o  482.910   9.8140  631.778   25.609   0.0000   0.0000  631.778   25.609  ?   ?   482.910   9.8140      ?      ? 
1 1 1   -4   17   34 o  340.606   8.8454  315.022   16.137  314.640   24.488  315.315   21.454  340.313   13.316  340.899   11.647 -0.5859375 17.69090 
1 1 1   -4   17   35 o  456.635   9.6490  567.851   23.780  539.865   33.803  595.270   33.460  445.392   14.045  467.878   13.234 -22.48596 19.29799 
1 1 1   -4   17   36 o  371.248   13.521  375.225   27.125  375.225   27.125   0.0000   0.0000  371.248   13.521  ?   ?       ?      ? 
1 1 1   -4   17   37 o  646.721   10.716  1121.40   34.489  1090.23   41.127  1195.27   63.310  633.113   12.021  660.329   17.743 -27.21564 21.43197 
1 1 1   -4   17   38 o   72.250   15.916   14.826   6.8293   9.9932   12.092   17.090   8.2755   67.224   24.969   77.275   19.745 -10.05164 31.83261 
1 1 1   -4   17   39 o  232.860   7.8162  147.578   9.1304  147.748   16.279  147.500   11.028  232.628   12.950  233.092   8.7557 -0.4637299 15.63247 
1 1 1   -4   17   40 o  509.686   7.2449  706.745   19.950  691.643   28.251  721.766   28.176  504.213   10.369  515.160   10.122 -10.94632 14.48990 
1 1 1   -4   17   41 o  182.235   7.1965   89.490   7.0352   97.790   10.765   83.302   9.2947  189.491   10.513  174.979   9.8302 14.51248 14.39309 
1 1 1   -4   17   42 o  398.905   6.4753  432.852   13.942  436.152   20.238  429.871   19.234  400.290   9.3562  397.520   8.9543 2.769135 12.95057 
1 1 1   -4   17   43 o  136.974   8.8731   51.484   6.5207   51.124   9.8029   51.771   8.7328  136.419   13.298  137.528   11.751 -1.109039 17.74614 
1 1 1   -4   17   44 o  235.698   6.5002  152.181   8.2198  143.478   12.161  159.501   11.153  229.321   9.8139  242.076   8.5263 -12.75436 13.00037 
1 1 1   -4   17   45 o  332.766   12.918  304.955   23.229   0.0000   0.0000  304.955   23.229  ?   ?   332.766   12.918      ?      ? 
1 1 1   -4   17   46 o   58.832   17.137   4.5738   8.7636   5.7095   11.606   3.0676   13.366   58.898   23.726   58.765   24.734 0.1329002 34.27360 
1 1 1   -4   17   47 o  291.544   9.0786  234.881   14.292  229.505   19.772  240.766   20.684  288.126   12.699  294.962   12.977 -6.835968 18.15718 
1 1 1   -4   17   48 o  119.983   11.294   38.973   6.8693   44.955   12.359   36.299   8.2633  125.690   18.197  114.276   13.382 11.41371 22.58768 
1 1 1   -4   17   49 f   74.510   14.204   16.221   5.8127   20.021   9.0388   13.541   7.5903   81.465   20.538   67.554   19.627 13.91097 28.40829 
1 1 1   -4   17   50 f  104.665   10.594   30.326   5.9340   35.779   9.1753   26.406   7.7800  112.568   15.084   96.762   14.879 15.80584 21.18786 
1 1 1   -4   17   51 o   59.347   13.478   6.8086   5.7124   19.408   8.9195  -1.9527   7.4380   79.626   20.580   39.068   17.409 40.55868 26.95630 
1 1 1   -4   17   52 o  116.772   9.7714   38.096   6.1291   42.212   9.3096   34.946   8.1427  122.180   14.101  111.365   13.531 10.81485 19.54287 
1 1 1   -4   17   53 o   55.044   13.533   7.2204   5.7653  -2.8486   8.9795   14.282   7.5200   41.778   18.831   68.310   19.442 -26.53201 27.06664 
1 1 1   -4   17   54 o   51.250   13.524   1.7189   5.8367   14.733   9.1424  -7.2351   7.5833   68.775   21.869   33.725   15.918 35.04979 27.04884 
1 1 1   -4   17   55 o   49.601   14.343   4.2516   6.0416   4.6431   9.3148   3.9673   7.9377   51.334   21.040   47.868   19.498 3.465954 28.68576 
1 1 1   -4   17   56 o   58.362   15.173   9.4427   6.2041   11.214   9.7084   8.2201   8.0659   61.742   22.466   54.983   20.399 6.758995 30.34544 
1 1 1   -4   17   57 o  235.963   6.7086  155.328   8.4741  154.432   12.859  156.016   11.267  234.848   10.133  237.078   8.7945 -2.230011 13.41726 
1 1 1   -4   17   58 o   38.361   12.690  -6.9810   6.4863  -1.2761   9.9893 -11.1396   8.5288   44.071   19.864   32.650   15.797 11.42086 25.37945 
1 1 1   -4   17   59 o   65.499   14.951   11.717   6.6763   23.992   10.346   2.9571   8.7395   84.237   22.357   46.761   19.858 37.47588 29.90254 
1 1 1   -4   17   60 o  205.022   7.6690  119.246   8.4551  121.169   12.625  117.682   11.385  206.051   11.339  203.992   10.328 2.058502 15.33807 
1 1 1   -4   17   61 o  119.098   11.470   45.335   7.1341   43.991   11.429   46.193   9.1314  115.079   18.380  123.116   13.726 -8.036591 22.93910 
1 1 1   -4   17   62 o   77.412   14.845   24.748   7.8648   3.6622   15.551   31.995   9.1167   54.022   24.524  100.803   16.737 -46.78097 29.69096 
1 1 1   -4   17   63 o   65.141   16.669   16.960   7.5562   13.769   10.154   20.921   11.311   59.743   22.731   70.540   24.388 -10.79667 33.33885 
1 1 1   -4   18    1 o  881.921   12.585  2102.09   51.866  2117.34  104.082  2097.05   59.823  883.444   21.803  880.399   12.575 3.044556 25.16902 
1 1 1   -4   18    2 o  701.234   8.9932  1330.39   34.077  1322.99   48.051  1337.88   48.335  699.273   12.716  703.195   12.720 -3.921814 17.98647 
1 1 1   -4   18    4 o  747.342   9.4805  1511.04   38.279  1528.03   54.774  1494.83   53.516  751.440   13.489  743.245   13.325 8.194336 18.96090 
1 1 1   -4   18    5 f  969.801   11.926  2547.27   62.494  2559.57   88.917  2535.27   87.852  972.104   16.927  967.497   16.804 4.607178 23.85170 
1 1 1   -4   18    6 o  537.842   10.420  782.309   30.284   0.0000   0.0000  782.309   30.284  ?   ?   537.842   10.420      ?      ? 
1 1 1   -4   18    9 o  602.595   7.9995  982.203   26.048  979.401   36.872  984.996   36.803  601.735   11.340  603.455   11.286 -1.719604 15.99900 
1 1 1   -4   18   10 o  633.241   11.723  1084.73   40.114   0.0000   0.0000  1084.73   40.114  ?   ?   633.241   11.723      ?      ? 
1 1 1   -4   18   11 o  369.306   6.1550  368.149   12.259  377.718   18.002  359.875   16.740  373.767   8.9129  364.844   8.4909 8.923401 12.30994 
1 1 1   -4   18   12 o  903.774   11.177  2211.27   54.577  2182.97   76.308  2240.92   78.089  897.865   15.728  909.684   15.886 -11.81897 22.35456 
1 1 1   -4   18   13 o  779.017   9.8268  1642.10   41.358  1618.41   57.798  1666.96   59.207  773.266   13.832  784.767   13.962 -11.50085 19.65363 
1 1 1   -4   18   14 o  496.768   7.0745  667.023   18.985  650.696   26.470  684.318   27.244  490.512   9.9866  503.024   10.023 -12.51138 14.14900 
1 1 1   -4   18   15 o  386.862   8.8304  404.685   18.460   0.0000   0.0000  404.685   18.460  ?   ?   386.862   8.8304      ?      ? 
1 1 1   -4   18   16 o  383.263   8.9305  397.222   18.495   0.0000   0.0000  397.222   18.495  ?   ?   383.263   8.9305      ?      ? 
1 1 1   -4   18   17 o  919.188   11.386  2289.59   56.552  2302.01   80.552  2277.52   79.412  921.633   16.174  916.742   16.031 4.891602 22.77277 
1 1 1   -4   18   18 f  619.071   8.2642  1037.09   27.643  1043.56   39.445  1030.85   38.750  620.962   11.755  617.180   11.619 3.782654 16.52848 
1 1 1   -4   18   20 o  384.291   9.1110  399.399   18.920   0.0000   0.0000  399.399   18.920  ?   ?   384.291   9.1110      ?      ? 
1 1 1   -4   18   21 o  1216.88   20.891  4022.68  137.370   0.0000   0.0000  4022.68  137.370  ?   ?   1216.88   20.891      ?      ? 
1 1 1   -4   18   22 o  442.566   9.5911  529.851   22.937   0.0000   0.0000  529.851   22.937  ?   ?   442.566   9.5911      ?      ? 
1 1 1   -4   18   23 o  391.043   9.3496  413.645   19.756   0.0000   0.0000  413.645   19.756  ?   ?   391.043   9.3496      ?      ? 
1 1 1   -4   18   24 o  489.176   10.081  647.445   26.647   0.0000   0.0000  647.445   26.647  ?   ?   489.176   10.081      ?      ? 
1 1 1   -4   18   25 o  453.764   6.9382  557.040   17.009  542.693   23.882  571.809   24.232  447.832   9.8690  459.696   9.7549 -11.86447 13.87641 
1 1 1   -4   18   26 o   59.199   15.867   6.7229   6.9967   5.3778   9.8156   8.1124   9.9760   56.851   22.159   61.547   22.715 -4.695877 31.73341 
1 1 1   -4   18   27 o  709.692   12.883  1364.89   49.405   0.0000   0.0000  1364.89   49.405  ?   ?   709.692   12.883      ?      ? 
1 1 1   -4   18   28 o  296.226   8.8491  237.453   14.165   0.0000   0.0000  237.453   14.165  ?   ?   296.226   8.8491      ?      ? 
1 1 1   -4   18   29 o  374.064   6.5203  378.752   13.174  364.001   18.496  393.943   18.769  366.663   9.3352  381.465   9.1055 -14.80179 13.04053 
1 1 1   -4   18   30 o  653.833   8.6257  1158.57   30.462  1124.66   42.330  1194.99   43.870  643.926   12.165  663.740   12.232 -19.81360 17.25141 
1 1 1   -4   18   31 o  181.600   10.831   95.401   9.2283   77.838   17.353  102.327   10.897  168.882   19.015  194.318   10.378 -25.43637 21.66249 
1 1 1   -4   18   32 o  595.838   11.423  967.073   36.771  945.495   52.084  988.513   51.919  589.149   16.360  602.526   15.946 -13.37598 22.84618 
1 1 1   -4   18   33 o  572.716   11.133  893.873   34.442  860.811   48.352  927.928   49.072  561.909   15.924  583.522   15.563 -21.61237 22.26635 
1 1 1   -4   18   34 o   93.580   18.057   25.987   9.3149   19.126   15.967   29.527   11.469   85.428   28.992  101.733   21.534 -16.30493 36.11393 
1 1 1   -4   18   35 o  479.120   7.0827  623.051   18.335  612.938   25.925  633.172   25.935  475.212   10.096  483.027   9.9363 -7.814606 14.16543 
1 1 1   -4   18   36 o   80.676   15.561   20.421   7.6088   27.618   9.1657   4.4662   13.647   98.873   17.810   62.479   25.521 36.39458 31.12122 
1 1 1   -4   18   37 o  324.636   7.6530  281.285   12.430  301.126   22.631  272.714   14.874  332.278   12.604  316.995   8.6834 15.28268 15.30599 
1 1 1   -4   18   38 o  215.564   8.3745  131.167   8.9844  114.572   15.641  139.338   10.976  204.618   14.146  226.511   8.9672 -21.89360 16.74894 
1 1 1   -4   18   39 o  170.050   7.8079   79.392   7.0997   73.622   10.600   84.086   9.5614  164.285   11.940  175.815   10.064 -11.53012 15.61581 
1 1 1   -4   18   40 o  226.452   6.6193  138.576   8.0457  147.244   12.238  131.978   10.677  232.583   9.7378  220.320   8.9685 12.26311 13.23852 
1 1 1   -4   18   41 o  102.513   11.722   29.707   6.2939   26.948   9.1651   32.169   8.6585   96.982   18.156  108.045   14.830 -11.06236 23.44307 
1 1 1   -4   18   42 o  126.340   10.710   47.687   6.5635   30.295   9.8832   61.410   8.7790  102.773   18.475  149.907   10.838 -47.13303 21.41951 
1 1 1   -4   18   43 o  359.333   8.0963  347.905   14.521  338.863   17.366  368.919   26.474  352.600   9.1145  366.066   13.384 -13.46573 16.19261 
1 1 1   -4   18   44 o  136.124   14.658   54.333   10.254   60.068   13.663   46.937   15.517  146.430   17.267  125.818   23.692 20.61185 29.31677 
1 1 1   -4   18   45 o  157.266   12.108   70.328   10.136   81.667   14.112   58.243   14.569  171.145   15.259  143.386   18.803 27.75894 24.21519 
1 1 1   -4   18   46 o  175.268   10.749   85.684   10.115   84.572   13.525   87.095   15.236  174.290   14.361  176.245   15.998 -1.953995 21.49793 
1 1 1   -4   18   47 o  172.385   7.5803   80.214   6.9517   91.018   11.065   73.169   8.9353  181.609   11.275  163.160   10.135 18.44978 15.16070 
1 1 1   -4   18   48 o  162.701   7.9472   74.113   6.8313   68.271   10.592   78.273   8.9387  156.697   12.510  168.705   9.8052 -12.00801 15.89444 
1 1 1   -4   18   49 o  168.304   7.5890   78.510   6.8190   77.173   10.428   79.509   9.0128  166.733   11.575  169.875   9.8184 -3.141861 15.17804 
1 1 1   -4   18   50 f  151.621   8.0917   63.917   6.5747   63.979   9.9516   63.869   8.7584  151.407   12.163  151.835   10.675 -0.4277344 16.18340 
1 1 1   -4   18   51 o  105.206   10.571   31.281   5.9771   33.666   9.0376   29.427   7.9687  108.580   15.403  101.832   14.482 6.747398 21.14189 
1 1 1   -4   18   52 o   83.852   20.737   21.898   9.3436   21.898   9.3436   0.0000   0.0000   83.852   20.737  ?   ?       ?      ? 
1 1 1   -4   18   53 o  209.779   6.8465  120.353   7.6521  132.744   12.074  112.035   9.8927  218.342   10.233  201.215   9.0984 17.12677 13.69308 
1 1 1   -4   18   54 o   83.387   14.110   22.392   6.2860   17.628   9.8430   25.674   8.1687   74.295   22.546   92.478   16.972 -18.18298 28.21979 
1 1 1   -4   18   55 o   65.514   15.424   13.426   6.3526   13.608   9.7024   13.289   8.4045   65.929   22.599   65.100   20.996 0.8287888 30.84708 
1 1 1   -4   18   56 o   79.463   15.108   20.460   6.5760   20.975   10.121   20.084   8.6509   79.691   22.511   79.235   20.157 0.4561844 30.21625 
1 1 1   -4   18   57 o  104.270   12.532   33.819   6.7646   33.333   10.504   34.163   8.8422  101.502   19.863  107.038   15.287 -5.535721 25.06441 
1 1 1   -4   18   58 o   46.790   20.590   0.9561   10.088   0.9561   10.088   0.0000   0.0000   46.790   20.590  ?   ?       ?      ? 
1 1 1   -4   18   59 o  221.464   7.3109  137.114   8.6927  154.145   13.240  124.211   11.524  233.246   10.505  209.682   10.171 23.56400 14.62190 
1 1 1   -4   18   60 o   43.789   13.818   1.4652   6.5340   2.8656   10.260   0.5098   8.4745   46.416   20.579   41.162   18.445 5.254082 27.63514 
1 1 1   -4   18   61 o  106.791   16.139   35.539   9.3134   0.0000   0.0000   35.539   9.3134  ?   ?   106.791   16.139      ?      ? 
1 1 1   -4   18   62 o   56.352   15.250   11.532   7.7482  -9.5833   16.359   17.638   8.7976   44.725   21.696   67.978   21.435 -23.25322 30.49914 
1 1 1   -4   19    1 o  118.734   9.9967   40.993   5.7392   31.374   10.085   45.599   6.9795  107.614   17.344  129.855   9.9466 -22.24048 19.99338 
1 1 1   -4   19    2 o  1465.01   17.641  5831.20  139.655  5848.85  198.147  5813.78  196.864  1467.20   24.993  1462.82   24.905 4.376709 35.28292 
1 1 1   -4   19    5 o  384.096   6.5066  398.986   13.489  397.281   19.532  400.540   18.651  383.304   9.4301  384.888   8.9676 -1.583984 13.01323 
1 1 1   -4   19    6 o  326.144   6.2100  286.926   10.917  296.603   16.123  278.734   14.835  331.203   9.0086  321.084   8.5501 10.11948 12.42010 
1 1 1   -4   19    7 o  824.114   10.383  1836.15   46.191  1784.56   63.599  1893.74   67.197  811.903   14.496  836.325   14.869 -24.42224 20.76626 
1 1 1   -4   19    9 o  158.082   8.4635   67.690   7.1589   80.608   10.332   55.763   9.9280  172.620   11.077  143.544   12.799 29.07626 16.92698 
1 1 1   -4   19   10 f  453.164   6.8679  555.356   16.817  551.216   23.675  559.572   23.893  451.459   9.7047  454.868   9.7206 -3.408417 13.73576 
1 1 1   -4   19   11 o  292.516   6.3549  230.714   10.030  217.312   13.761  245.906   14.650  283.479   8.9835  301.553   8.9908 -18.07379 12.70974 
1 1 1   -4   19   12 o  418.570   6.6617  473.816   15.064  475.115   21.564  472.577   21.051  419.126   9.5213  418.014   9.3197 1.111816 13.32340 
1 1 1   -4   19   13 o  381.733   6.4919  394.158   13.390  388.212   18.980  400.048   18.891  378.863   9.2711  384.603   9.0900 -5.739624 12.98389 
1 1 1   -4   19   14 o  485.047   7.1367  635.148   18.685  607.329   25.718  666.252   27.194  473.823   10.045  496.270   10.141 -22.44730 14.27332 
1 1 1   -4   19   16 o  739.791   13.424  1481.85   53.665   0.0000   0.0000  1481.85   53.665  ?   ?   739.791   13.424      ?      ? 
1 1 1   -4   19   17 o  317.970   9.3674  273.457   16.095   0.0000   0.0000  273.457   16.095  ?   ?   317.970   9.3674      ?      ? 
1 1 1   -4   19   18 o  456.772   7.0460  564.491   17.388  560.653   24.757  568.227   24.428  455.234   10.064  458.310   9.8637 -3.076111 14.09191 
1 1 1   -4   19   19 o  326.979   6.6464  289.340   11.738  283.864   16.757  294.616   16.447  323.933   9.5729  330.026   9.2228 -6.092529 13.29288 
1 1 1   -4   19   20 o  373.828   6.6617  377.869   13.454  367.568   18.816  388.644   19.245  368.616   9.4462  379.039   9.3959 -10.42319 13.32339 
1 1 1   -4   19   22 o  339.890   9.1603  312.527   16.824   0.0000   0.0000  312.527   16.824  ?   ?   339.890   9.1603      ?      ? 
1 1 1   -4   19   23 o  199.636   7.7994  107.836   8.4014   99.973   11.720  116.146   12.049  192.146   11.288  207.127   10.766 -14.98065 15.59872 
1 1 1   -4   19   24 o  324.473   6.6535  284.670   11.653  266.043   16.242  304.429   16.728  313.534   9.5864  335.412   9.2293 -21.87781 13.30708 
1 1 1   -4   19   25 o  269.659   9.5396  196.798   13.901   0.0000   0.0000  196.798   13.901  ?   ?   269.659   9.5396      ?      ? 
1 1 1   -4   19   26 o  492.454   10.157  656.669   27.028   0.0000   0.0000  656.669   27.028  ?   ?   492.454   10.157      ?      ? 
1 1 1   -4   19   27 o  244.747   9.4448  162.205   12.491   0.0000   0.0000  162.205   12.491  ?   ?   244.747   9.4448      ?      ? 
1 1 1   -4   19   28 o  228.162   7.1569  141.220   8.7989  138.386   12.865  143.710   12.061  225.983   10.536  230.342   9.6896 -4.359070 14.31390 
1 1 1   -4   19   29 o  474.716   8.8372  626.920   21.731  552.477   35.016  673.552   27.714  450.884   14.372  498.549   10.287 -47.66550 17.67440 
1 1 1   -4   19   30 o  401.561   9.5246  438.036   20.623  400.450   28.820  477.477   29.523  383.839   13.895  419.283   13.031 -35.44376 19.04923 
1 1 1   -4   19   31 o  242.709   10.084  163.136   12.933  144.167   19.781  177.297   17.092  229.953   15.920  255.465   12.382 -25.51224 20.16767 
1 1 1   -4   19   32 o  416.032   8.0655  467.928   17.413  462.373   21.718  477.928   29.136  412.888   9.7341  419.176   12.863 -6.288025 16.13106 
1 1 1   -4   19   33 o  339.388   6.4330  312.705   11.784  301.257   16.857  323.649   16.481  333.269   9.3602  345.507   8.8273 -12.23792 12.86603 
1 1 1   -4   19   34 o  398.441   9.2174  430.728   19.845   0.0000   0.0000  430.728   19.845  ?   ?   398.441   9.2174      ?      ? 
1 1 1   -4   19   35 o  377.653   8.2050  388.473   15.764  388.788   19.291  387.838   27.347  378.374   9.4353  376.931   13.426 1.442841 16.41007 
1 1 1   -4   19   36 o  357.314   7.7511  346.433   13.978  350.901   24.714  344.332   16.949  358.518   12.757  356.109   8.8077 2.409119 15.50218 
1 1 1   -4   19   37 o   88.895   14.885   23.683   6.9993   17.155   11.995   27.053   8.6189   78.560   25.057   99.229   16.074 -20.66845 29.76931 
1 1 1   -4   19   38 o  165.577   7.9295   75.197   7.0446   70.234   10.381   79.434   9.5911  160.375   11.979  170.779   10.393 -10.40402 15.85900 
1 1 1   -4   19   39 o  290.185   6.3263  229.289   9.9088  217.424   14.043  241.055   13.984  282.645   9.1942  297.724   8.6922 -15.07898 12.65260 
1 1 1   -4   19   40 o  307.804   6.3058  257.808   10.459  259.265   15.399  256.561   14.249  308.527   9.2367  307.081   8.5869 1.445801 12.61160 
1 1 1   -4   19   41 o  264.141   13.735  192.117   19.605   0.0000   0.0000  192.117   19.605  ?   ?   264.141   13.735      ?      ? 
1 1 1   -4   19   42 o  120.480   15.832   42.850   9.9316   48.604   13.458   35.968   14.718  131.474   18.943  109.485   25.373 21.98911 31.66394 
1 1 1   -4   19   43 o  178.839   10.954   88.964   10.563   86.509   14.399   91.824   15.544  176.305   15.114  181.373   15.860 -5.067627 21.90816 
1 1 1   -4   19   44 f  106.969   17.118   34.353   9.6479   30.946   13.077   38.423   14.292  101.061   24.255  112.878   24.161 -11.81702 34.23531 
1 1 1   -4   19   45 o  215.316   8.2142  126.513   8.9401  131.734   15.844  124.074   10.829  217.787   13.463  212.844   9.4152 4.942627 16.42834 
1 1 1   -4   19   46 o   53.371   14.176   5.7427   6.0325  -1.7755   9.4253   10.959   7.8512   44.714   19.779   62.028   20.314 -17.31369 28.35199 
1 1 1   -4   19   47 o  259.227   6.4522  185.577   8.9698  172.462   13.220  196.765   12.210  250.391   9.7707  268.062   8.4296 -17.67125 12.90448 
1 1 1   -4   19   48 o   65.964   15.005   12.419   5.9713   15.530   9.5730   10.437   7.6398   71.593   22.326   60.335   20.052 11.25780 30.00910 
1 1 1   -4   19   49 o  184.492   7.3550   94.013   7.2107   95.241   11.293   93.169   9.3691  185.117   11.290  183.868   9.4298 1.248489 14.71000 
1 1 1   -4   19   50 o  226.428   6.7137  142.589   8.1351  133.078   12.122  150.382   10.973  219.108   10.238  233.747   8.6875 -14.63919 13.42749 
1 1 1   -4   19   51 o  109.368   10.929   34.569   6.3029   33.593   9.9590   35.221   8.1407  107.291   17.178  111.445   13.518 -4.153183 21.85887 
1 1 1   -4   19   52 o  171.149   7.7453   80.529   7.0658   90.595   11.153   73.780   9.1325  179.632   11.490  162.666   10.390 16.96597 15.49051 
1 1 1   -4   19   53 o   99.589   12.720   30.364   6.5309   26.052   9.9396   33.640   8.6634   91.093   20.667  108.085   14.833 -16.99173 25.43916 
1 1 1   -4   19   54 o  289.711   6.5417  233.482   10.184  232.990   15.204  233.883   13.716  288.989   9.7364  290.433   8.7396 -1.444000 13.08348 
1 1 1   -4   19   55 o   64.897   15.597   13.058   6.4451   15.295   10.130   11.537   8.3540   68.631   23.093   61.163   20.969 7.467598 31.19336 
1 1 1   -4   19   56 f  214.407   7.2510  131.110   8.3086  120.801   12.368  139.590   11.217  205.812   11.121  223.003   9.3082 -17.19113 14.50206 
1 1 1   -4   19   57 o   76.305   15.595   19.703   6.8182   17.903   10.231   21.141   9.1448   72.576   23.141   80.035   20.914 -7.459152 31.19089 
1 1 1   -4   19   58 o  218.796   7.4106  137.183   8.6409  125.076   12.947  146.907   11.603  208.974   11.465  228.618   9.3926 -19.64412 14.82128 
1 1 1   -4   19   59 o   50.761   14.878   6.4872   6.5962   11.103   10.466   3.4463   8.4957   56.803   22.652   44.719   19.294 12.08429 29.75547 
1 1 1   -4   19   60 o   82.128   15.911   24.290   7.2121   27.686   11.088   21.799   9.4951   86.457   23.235   77.799   21.743 8.658340 31.82202 
1 1 1   -4   20    1 o  294.572   7.0334  233.657   10.541  237.838   18.385  231.609   12.865  296.471   11.476  292.674   8.1349 3.797272 14.06685 
1 1 1   -4   20    2 o  332.666   7.1848  299.372   12.171  299.324   21.098  299.396   14.900  332.580   11.740  332.753   8.2864 -0.1729431 14.36952 
1 1 1   -4   20    3 o   97.280   13.736   26.590   6.9523   26.483   10.208   26.683   9.4950   96.996   20.134   97.563   18.691 -0.5672836 27.47254 
1 1 1   -4   20    7 o  578.144   7.9952  903.996   24.969  886.578   34.750  922.586   35.901  572.396   11.235  583.892   11.378 -11.49664 15.99044 
1 1 1   -4   20    8 f  471.942   7.1944  602.512   18.344  587.734   25.843  617.520   26.044  466.104   10.261  477.779   10.088 -11.67514 14.38885 
1 1 1   -4   20   15 o  473.790   7.1900  604.945   18.366  572.367   24.964  643.381   27.116  459.949   10.044  487.631   10.291 -27.68225 14.38006 
1 1 1   -4   20   16 o  587.502   8.1649  934.333   25.919  926.446   36.762  942.129   36.548  585.029   11.629  589.975   11.464 -4.946167 16.32973 
1 1 1   -4   20   17 o  433.362   9.7870  508.078   22.919   0.0000   0.0000  508.078   22.919  ?   ?   433.362   9.7870      ?      ? 
1 1 1   -4   20   18 o  819.193   10.416  1816.07   46.063  1760.44   63.457  1878.04   66.971  805.978   14.570  832.409   14.889 -26.43030 20.83203 
1 1 1   -4   20   20 o  704.412   9.2294  1343.09   35.107  1302.02   48.567  1388.04   50.807  693.160   12.966  715.664   13.138 -22.50403 18.45887 
1 1 1   -4   20   21 o  224.585   7.5145  136.198   9.1057  126.638   12.544  146.847   13.239  216.271   10.734  232.899   10.520 -16.62738 15.02899 
1 1 1   -4   20   22 o  492.029   7.3587  654.433   19.551  627.221   27.050  684.195   28.289  481.336   10.400  502.721   10.414 -21.38489 14.71740 
1 1 1   -4   20   23 o  309.035   6.8025  258.494   11.355  248.711   15.960  268.521   16.159  303.107   9.7445  314.962   9.4942 -11.85529 13.60495 
1 1 1   -4   20   24 o  523.730   10.596  743.107   29.987   0.0000   0.0000  743.107   29.987  ?   ?   523.730   10.596      ?      ? 
1 1 1   -4   20   25 o  578.695   11.276  907.824   35.261   0.0000   0.0000  907.824   35.261  ?   ?   578.695   11.276      ?      ? 
1 1 1   -4   20   26 o  577.101   16.492  906.531   51.431  906.531   51.431   0.0000   0.0000  577.101   16.492  ?   ?       ?      ? 
1 1 1   -4   20   27 o  454.620   10.185  560.611   24.968  511.937   34.528  613.964   36.150  433.917   14.726  475.323   14.074 -41.40536 20.36981 
1 1 1   -4   20   28 o  435.583   9.9618  516.534   23.405  504.279   33.894  527.703   32.358  430.543   14.569  440.624   13.590 -10.08130 19.92353 
1 1 1   -4   20   29 o  590.826   11.550  951.216   36.847  903.153   51.129  1003.15   53.149  575.279   16.447  606.374   16.221 -31.09509 23.10042 
1 1 1   -4   20   30 o  653.929   8.7424  1162.69   30.892  1154.45   43.700  1170.94   43.674  651.595   12.411  656.263   12.316 -4.668945 17.48482 
1 1 1   -4   20   31 o  308.453   8.9975  257.997   14.997   0.0000   0.0000  257.997   14.997  ?   ?   308.453   8.9975      ?      ? 
1 1 1   -4   20   32 o  536.155   10.631  781.044   30.799   0.0000   0.0000  781.044   30.799  ?   ?   536.155   10.631      ?      ? 
1 1 1   -4   20   33 o   58.710   21.958   7.3660   9.3831   7.3660   9.3831   0.0000   0.0000   58.710   21.958  ?   ?       ?      ? 
1 1 1   -4   20   34 o  273.700   8.2619  204.653   11.683  205.856   14.558  202.477   19.580  275.185   9.7900  272.215   13.311 2.970184 16.52376 
1 1 1   -4   20   35 o   49.275   14.430  -1.6608   6.7851   8.0908   10.194  -9.4167   9.0914   61.148   22.884   37.402   17.584 23.74596 28.85932 
1 1 1   -4   20   36 o  130.637   13.329   55.209   7.8772   29.595   12.915   70.382   9.9401  100.640   24.073  160.634   11.452 -59.99439 26.65758 
1 1 1   -4   20   37 o  152.095   8.9747   64.683   7.2089   51.263   10.497   76.664   9.9178  136.586   14.222  167.604   10.951 -31.01848 17.94950 
1 1 1   -4   20   38 o  129.936   12.996   46.336   9.1252   0.0000   0.0000   46.336   9.1252  ?   ?   129.936   12.996      ?      ? 
1 1 1   -4   20   39 o  186.620   10.107   94.051   9.6672   90.048   11.809  102.185   16.832  181.258   12.057  191.983   16.225 -10.72522 20.21405 
1 1 1   -4   20   40 o   88.268   18.236   23.211   9.2237   24.414   12.225   21.622   14.054   90.592   24.419   85.944   27.092 4.647209 36.47263 
1 1 1   -4   20   41 o  130.227   14.203   47.710   9.9489   43.063   13.350   53.514   14.920  123.168   20.058  137.285   20.113 -14.11627 28.40524 
1 1 1   -4   20   42 o  126.595   14.409   44.951   9.5198   37.793   12.298   55.653   15.037  113.430   20.832  139.759   19.911 -26.32907 28.81709 
1 1 1   -4   20   43 f  262.126   6.6932  185.692   9.3667  203.214   14.650  173.577   12.182  272.270   9.9577  251.983   8.9464 20.28673 13.38637 
1 1 1   -4   20   44 o   47.907   14.153   2.1134   6.0964   2.8836   9.0489   1.4733   8.2496   49.787   20.606   46.028   19.405 3.759464 28.30505 
1 1 1   -4   20   45 o  180.615   7.7772   88.768   7.4632   97.331   11.882   83.189   9.5912  187.428   11.732  173.801   10.213 13.62744 15.55435 
1 1 1   -4   20   46 o   75.943   14.867   17.652   6.3571   15.004   9.4464   19.844   8.5944   70.782   22.195   81.104   19.786 -10.32213 29.73442 
1 1 1   -4   20   47 o  167.847   7.8152   78.799   6.9957   73.638   10.568   82.823   9.3332  162.506   12.035  173.188   9.9730 -10.68240 15.63032 
1 1 1   -4   20   48 o  131.766   9.4810   49.438   6.6355   44.893   10.051   52.949   8.8346  125.765   14.789  137.768   11.867 -12.00330 18.96196 
1 1 1   -4   20   49 o  189.257   7.5952  101.295   7.6037   89.358   11.556  110.408   10.097  178.598   11.974  199.916   9.3471 -21.31793 15.19035 
1 1 1   -4   20   50 o   44.686   13.602  -1.4001   6.0336   6.2378   9.6359  -6.3261   7.7384   54.363   21.717   35.009   16.383 19.35379 27.20354 
1 1 1   -4   20   51 o  150.687   8.6526   63.436   6.9714   68.603   10.815   59.762   9.1188  155.540   12.867  145.833   11.572 9.707794 17.30513 
1 1 1   -4   20   52 o  146.748   9.4168   63.133   7.2136   48.572   10.680   75.350   9.7824  129.535   15.258  163.960   11.041 -34.42557 18.83352 
1 1 1   -4   20   53 o  188.410   7.7945  101.518   7.7986   87.002   11.534  113.743   10.585  174.943   12.201  201.877   9.7028 -26.93393 15.58901 
1 1 1   -4   20   54 o   96.431   13.431   31.787   6.7576   15.963   10.251   43.949   8.9869   69.527   23.231  123.335   13.485 -53.80785 26.86107 
1 1 1   -4   20   55 o   74.678   15.772   19.186   6.8339   18.178   10.624   19.897   8.9256   72.237   23.628   77.119   20.898 -4.882317 31.54401 
1 1 1   -4   20   56 o   79.301   15.728   20.625   6.9567   25.284   10.857   17.380   9.0611   86.287   22.904   72.314   21.562 13.97377 31.45627 
1 1 1   -4   20   57 o   67.757   15.800   16.154   6.8425   12.739   10.750   18.480   8.8718   62.093   23.445   73.421   21.187 -11.32720 31.59987 
1 1 1   -4   20   58 o   37.227   12.438  -5.7544   6.5852  -9.5235   10.345  -3.1869   8.5384   36.674   17.657   37.781   17.521 -1.107029 24.87544 
1 1 1   -4   20   59 o   96.537   17.715   31.857   8.3009   47.658   16.972   26.888   9.5169  105.365   28.927   87.709   20.456 17.65599 35.42903 
1 1 1   -4   21    1 o   58.025   15.674   5.5497   6.8419   9.5563   10.613   2.7004   8.9500   65.088   23.519   50.961   20.725 14.12646 31.34795 
1 1 1   -4   21    2 o  345.597   7.5674  327.003   13.726  306.081   21.833  340.675   17.650  336.285   12.015  354.909   9.2032 -18.62405 15.13472 
1 1 1   -4   21   10 o  295.644   10.399  236.506   16.614   0.0000   0.0000  236.506   16.614  ?   ?   295.644   10.399      ?      ? 
1 1 1   -4   21   12 o  536.829   11.396  780.015   33.058  780.015   33.058   0.0000   0.0000  536.829   11.396  ?   ?       ?      ? 
1 1 1   -4   21   14 o  434.304   7.1793  509.332   16.831  483.135   23.204  538.418   24.450  422.543   10.162  446.064   10.144 -23.52158 14.35855 
1 1 1   -4   21   15 o  595.456   11.668  960.135   37.543   0.0000   0.0000  960.135   37.543  ?   ?   595.456   11.668      ?      ? 
1 1 1   -4   21   17 o  207.253   8.4793  116.306   9.4584  116.930   14.032  115.786   12.804  207.739   12.500  206.767   11.460 0.9718933 16.95851 
1 1 1   -4   21   18 o  528.951   7.7914  757.422   22.265  735.521   31.244  780.020   31.737  521.175   11.094  536.726   10.943 -15.55048 15.58274 
1 1 1   -4   21   19 o  504.520   10.869  689.287   29.631   0.0000   0.0000  689.287   29.631  ?   ?   504.520   10.869      ?      ? 
1 1 1   -4   21   23 o  291.983   8.9898  236.705   13.031  217.500   23.148  245.615   15.767  282.843   15.145  301.122   9.6896 -18.27914 17.97963 
1 1 1   -4   21   24 o  317.669   10.181  275.990   17.367  248.874   25.098  300.901   24.055  302.475   15.355  332.863   13.374 -30.38834 20.36284 
1 1 1   -4   21   25 o  182.378   13.190   95.974   12.269   68.041   18.767  116.824   16.214  157.496   22.052  207.260   14.477 -49.76398 26.37917 
1 1 1   -4   21   26 o  167.719   14.087   74.912   12.516   88.041   20.289   66.847   15.902  179.124   20.961  156.314   18.826 22.80994 28.17441 
1 1 1   -4   21   27 o  425.141   8.5143  474.503   18.206  447.876   21.768  536.487   33.212  406.357   9.9135  443.925   13.845 -37.56808 17.02856 
1 1 1   -4   21   28 o  246.087   7.2069  164.411   9.5763  162.643   13.772  166.067   13.325  244.782   10.412  247.393   9.9676 -2.611069 14.41382 
1 1 1   -4   21   29 o  304.460   6.6811  252.037   10.966  240.860   15.830  262.349   15.205  297.904   9.8335  311.017   9.0470 -13.11255 13.36215 
1 1 1   -4   21   31 o  380.139   9.1352  392.375   18.765   0.0000   0.0000  392.375   18.765  ?   ?   380.139   9.1352      ?      ? 
1 1 1   -4   21   32 f  147.184   9.5173   58.791   7.5422   65.504   11.208   53.234   10.197  154.817   13.397  139.551   13.522 15.26524 19.03465 
1 1 1   -4   21   33 o  213.517   9.1783  122.679   10.219  117.743   12.754  131.531   17.082  207.881   11.354  219.154   14.424 -11.27267 18.35653 
1 1 1   -4   21   34 o  260.453   6.9943  185.332   9.8028  169.560   14.059  200.256   13.676  249.523   10.427  271.384   9.3256 -21.86157 13.98869 
1 1 1   -4   21   35 o  164.863   10.139   79.171   8.4673   57.680   13.311   93.778   10.974  144.355   17.064  185.371   10.955 -41.01578 20.27796 
1 1 1   -4   21   36 o  103.026   26.738   31.689   15.015   0.0000   0.0000   31.689   15.015  ?   ?   103.026   26.738      ?      ? 
1 1 1   -4   21   37 o  164.225   11.955   75.537   10.423   78.694   13.711   71.216   16.042  168.795   15.032  159.656   18.595 9.138809 23.91075 
1 1 1   -4   21   38 o   59.645   17.407   4.1546   9.1082   5.4752   12.500   2.6599   13.299   60.596   24.548   58.694   24.686 1.901924 34.81349 
1 1 1   -4   21   39 o  255.604   9.4743  180.268   13.067  178.266   17.955  182.523   19.052  254.229   13.070  256.979   13.720 -2.750092 18.94862 
1 1 1   -4   21   40 o  135.290   10.991   51.307   7.6524   50.248   12.867   51.887   9.5190  133.527   17.833  137.054   12.853 -3.527603 21.98186 
1 1 1   -4   21   41 f  325.391   6.4806  290.147   11.370  274.552   16.308  304.896   15.860  316.708   9.5293  334.074   8.7856 -17.36676 12.96126 
1 1 1   -4   21   42 o  209.839   7.2395  121.046   8.1761  119.713   12.075  122.174   11.110  208.609   10.712  211.069   9.7414 -2.459915 14.47910 
1 1 1   -4   21   43 o  110.092   11.434   34.346   6.7605   33.731   10.069   34.851   9.1226  108.895   17.111  111.288   15.170 -2.393021 22.86740 
1 1 1   -4   21   44 o  120.597   11.102   42.282   7.0017   34.509   10.628   48.243   9.3068  109.703   17.929  131.491   13.098 -21.78873 22.20371 
1 1 1   -4   21   45 o   93.918   13.386   26.414   6.5100   26.212   9.8724   26.569   8.6595   92.995   20.222   94.841   17.543 -1.845802 26.77124 
1 1 1   -4   21   46 o  201.586   7.2900  111.590   7.8757  118.650   12.069  106.354   10.394  206.872   10.796  196.301   9.7985 10.57085 14.57990 
1 1 1   -4   21   47 o  103.321   12.219   31.608   6.5262   29.562   10.035   33.108   8.5912   98.770   19.494  107.871   14.739 -9.101837 24.43863 
1 1 1   -4   21   48 o  129.262   10.321   49.942   6.8236   36.851   10.449   59.674   9.0100  112.428   17.200  146.095   11.413 -33.66690 20.64191 
1 1 1   -4   21   49 o   46.054   13.768   1.6940   6.0631  -2.6788   9.2093   5.0394   8.0552   42.267   19.060   49.841   19.873 -7.573372 27.53581 
1 1 1   -4   21   50 o  191.789   7.5819  104.049   7.7244   94.050   11.683  111.813   10.296  182.814   11.827  200.763   9.4905 -17.94881 15.16387 
1 1 1   -4   21   51 o  135.642   9.8073   52.223   7.1044   56.878   11.082   48.975   9.2567  140.266   14.621  131.018   13.075 9.248260 19.61457 
1 1 1   -4   21   52 o   82.394   15.156   22.460   6.8128   19.316   10.762   24.563   8.8009   76.154   23.659   88.633   18.950 -12.47888 30.31273 
1 1 1   -4   21   53 o  111.763   11.858   37.624   7.0916   38.414   10.822   37.029   9.3884  111.981   17.884  111.546   15.576 0.4354324 23.71595 
1 1 1   -4   21   54 o   56.035   15.358   8.1646   6.6162   12.429   10.286   5.1551   8.6411   62.510   23.066   49.560   20.283 12.94986 30.71593 
1 1 1   -4   21   55 o  168.714   9.2220   85.946   7.8906   56.374   11.529  112.007   10.823  137.876   15.474  199.552   10.037 -61.67610 18.44408 
1 1 1   -4   21   56 o   52.773   14.824   7.5308   6.7970   0.0489   10.722   12.557   8.7884   45.250   20.470   60.296   21.446 -15.04626 29.64731 
1 1 1   -4   21   57 o   73.085   16.532   19.317   7.2032   24.118   11.785   16.454   9.1011   78.680   24.809   67.490   21.858 11.18958 33.06449 
1 1 1   -4   21   58 o  138.004   15.569   69.400   10.339   61.149   17.408   73.896   12.851  122.607   27.004  153.401   15.504 -30.79322 31.13841 
1 1 1   -4   22    1 o  439.394   10.983  522.509   26.077   0.0000   0.0000  522.509   26.077  ?   ?   439.394   10.983      ?      ? 
1 1 1   -4   22    2 o  757.721   11.116  1576.90   40.444  1511.94   76.854  1601.78   47.562  746.176   19.061  769.266   11.442 -23.09009 22.23113 
1 1 1   -4   22    3 o  923.485   13.175  2337.35   58.148  2268.02  111.646  2363.15   68.116  912.935   22.632  934.034   13.496 -21.09888 26.35009 
1 1 1   -4   22    4 o  240.376   8.1141  156.178   10.529  166.506   15.186  146.619   14.610  248.023   11.331  232.730   11.617 15.29343 16.22814 
1 1 1   -4   22    5 o  493.421   7.5916  658.829   20.240  651.041   28.473  666.786   28.778  490.473   10.743  496.369   10.729 -5.896423 15.18322 
1 1 1   -4   22    7 o  151.609   10.590   62.105   8.5649   49.430   11.710   76.686   12.560  134.992   16.053  168.226   13.817 -33.23416 21.18032 
1 1 1   -4   22    8 o  461.433   10.362  576.275   25.838   0.0000   0.0000  576.275   25.838  ?   ?   461.433   10.362      ?      ? 
1 1 1   -4   22   10 o  587.873   8.3332  935.721   26.467  917.116   37.036  955.141   37.838  581.904   11.778  593.843   11.792 -11.93933 16.66641 
1 1 1   -4   22   11 o  808.412   14.690  1772.63   64.172   0.0000   0.0000  1772.63   64.172  ?   ?   808.412   14.690      ?      ? 
1 1 1   -4   22   16 o  225.620   8.2877  138.012   10.099  143.202   14.277  132.815   14.286  229.880   11.494  221.360   11.943 8.519623 16.57538 
1 1 1   -4   22   17 o  307.048   10.514  255.422   17.445  255.422   17.445   0.0000   0.0000  307.048   10.514  ?   ?       ?      ? 
1 1 1   -4   22   18 o  230.134   8.1407  143.315   10.107  148.165   14.808  139.085   13.829  233.758   11.723  226.510   11.299 7.247391 16.28149 
1 1 1   -4   22   20 o  557.722   10.161  862.578   28.806  792.342   48.949  899.788   35.628  539.412   16.793  576.032   11.446 -36.61987 20.32297 
1 1 1   -4   22   21 o  341.992   10.835  320.773   19.813  269.820   28.193  370.496   27.850  314.738   16.577  369.245   13.958 -54.50641 21.67080 
1 1 1   -4   22   22 o  148.678   16.909   61.768   13.114   60.968   20.052   62.365   17.336  146.516   26.294  150.839   21.268 -4.323608 33.81885 
1 1 1   -4   22   23 o  306.668   10.860  259.711   17.730  214.910   25.581  301.126   24.595  280.605   16.871  332.731   13.679 -52.12646 21.71969 
1 1 1   -4   22   24 o  124.527   14.858   40.257   9.3667   34.384   11.325   52.973   16.663  110.377   19.711  138.677   22.237 -28.29993 29.71535 
1 1 1   -4   22   25 o  308.865   9.5578  258.749   15.952   0.0000   0.0000  258.749   15.952  ?   ?   308.865   9.5578      ?      ? 
1 1 1   -4   22   26 o  478.489   10.220  621.538   26.426   0.0000   0.0000  621.538   26.426  ?   ?   478.489   10.220      ?      ? 
1 1 1   -4   22   27 o  253.383   9.8742  174.306   13.520   0.0000   0.0000  174.306   13.520  ?   ?   253.383   9.8742      ?      ? 
1 1 1   -4   22   28 o  143.920   10.205   57.511   7.8016   47.220   11.316   66.835   10.771  131.268   15.953  156.571   12.731 -25.30315 20.40970 
1 1 1   -4   22   29 o  125.311   11.367   43.157   7.6860   42.135   11.082   44.105   10.669  123.817   16.564  126.804   15.570 -2.986748 22.73305 
1 1 1   -4   22   30 f  462.294   9.9501  581.084   24.856   0.0000   0.0000  581.084   24.856  ?   ?   462.294   9.9501      ?      ? 
1 1 1   -4   22   31 o  145.355   9.9990   57.281   7.7362   72.611   11.535   44.747   10.430  162.996   13.096  127.713   15.113 35.28337 19.99791 
1 1 1   -4   22   32 o  228.056   9.1049  140.913   10.791  137.381   13.448  147.297   18.083  224.449   11.088  231.663   14.445 -7.213654 18.20979 
1 1 1   -4   22   33 o  170.054   11.501   78.307   10.445   69.707   13.564   90.833   16.370  158.923   15.795  181.184   16.721 -22.26099 23.00138 
1 1 1   -4   22   34 o  266.634   9.3094  195.018   13.338  193.423   17.907  197.005   19.988  265.629   12.476  267.640   13.821 -2.010223 18.61875 
1 1 1   -4   22   35 o   92.726   17.938   25.787   9.4307   31.284   12.859   19.390   13.873  102.913   23.622   82.539   27.001 20.37408 35.87608 
1 1 1   -4   22   36 o  195.455   10.799  104.827   11.347   96.486   15.139  115.518   17.140  186.747   15.002  204.163   15.536 -17.41608 21.59707 
1 1 1   -4   22   37 o  245.190   8.3466  167.425   10.459  157.950   17.688  172.519   12.969  239.078   13.691  251.302   9.5505 -12.22346 16.69319 
1 1 1   -4   22   38 o  243.914   7.0204  162.133   9.1962  169.385   13.914  156.508   12.254  248.593   10.358  239.234   9.4793 9.359268 14.04080 
1 1 1   -4   22   39 o   89.771   14.012   24.420   6.7557   16.867   10.230   30.260   8.9962   75.602   22.995  103.939   16.017 -28.33779 28.02347 
1 1 1   -4   22   40 o  140.987   9.4768   54.986   7.1611   56.863   10.915   53.567   9.4889  142.876   14.137  139.097   12.624 3.779419 18.95352 
1 1 1   -4   22   41 o  108.323   12.557   33.011   7.0220   45.002   10.827   24.305   9.2255  126.285   15.866   90.360   19.469 35.92539 25.11472 
1 1 1   -4   22   42 o  244.229   6.8216  164.154   8.9739  161.528   13.166  166.432   12.264  242.221   10.059  246.238   9.2172 -4.017197 13.64316 
1 1 1   -4   22   43 o  231.092   6.9436  146.772   8.6085  150.395   13.041  143.974   11.460  233.366   10.342  228.817   9.2685 4.548325 13.88722 
1 1 1   -4   22   44 o   51.469   14.748   4.2502   6.5149   0.3783   9.9435   7.1624   8.6236   47.890   20.767   55.048   20.947 -7.158611 29.49697 
1 1 1   -4   22   45 o  253.253   6.7744  177.939   9.2169  164.907   13.437  189.518   12.666  244.102   10.187  262.405   8.9329 -18.30269 13.54888 
1 1 1   -4   22   46 o  243.614   9.0175  163.724   11.871   0.0000   0.0000  163.724   11.871  ?   ?   243.614   9.0175      ?      ? 
1 1 1   -4   22   47 o  111.798   12.035   38.034   6.7922   30.705   10.410   43.468   8.9630   99.833   19.994  123.763   13.402 -23.92918 24.06992 
1 1 1   -4   22   48 o   70.106   14.942   14.143   6.4356   23.353   9.9548   7.5288   8.4354   85.677   21.528   54.535   20.726 31.14244 29.88349 
1 1 1   -4   22   49 o  102.713   12.437   30.835   6.6957   36.754   10.426   26.681   8.7349  111.688   17.276   93.738   17.897 17.94930 24.87495 
1 1 1   -4   22   50 o   72.066   14.464   17.259   6.7864   4.8686   10.680   25.648   8.7887   53.179   22.229   90.952   18.512 -37.77308 28.92793 
1 1 1   -4   22   51 o   64.325   14.222   11.683   6.8250  -2.5708   10.279   22.922   9.1276   44.078   19.982   84.572   20.242 -40.49452 28.44354 
1 1 1   -4   22   52 o   65.284   15.557   14.325   6.6824   10.347   10.257   17.258   8.8084   58.925   22.739   71.642   21.236 -12.71732 31.11314 
1 1 1   -4   22   53 o   53.407   14.911   6.1739   6.8952  -1.8188   10.482   12.271   9.1549   44.713   20.232   62.102   21.910 -17.38935 29.82256 
1 1 1   -4   22   54 o   36.053   12.296 -14.3053   6.8958  -3.2379   10.878 -21.7404   8.9162   44.046   20.191   28.061   14.038 15.98464 24.59115 
1 1 1   -4   22   55 o   69.229   16.293   18.153   6.9900   20.360   11.343   16.802   8.8756   71.132   24.432   67.327   21.562 3.804634 32.58591 
1 1 1   -4   22   56 o  147.798   15.051   74.647   10.691   71.644   18.612   76.126   13.060  138.070   25.898  157.525   15.342 -19.45493 30.10167 
1 1 1   -4   22   57 o   91.152   19.385   35.792   9.8898   41.532   17.889   33.266   11.868   90.105   30.687   92.199   23.694 -2.094040 38.76930 
1 1 1   -4   23    1 o  314.792   7.0751  267.978   12.035   0.0000   0.0000  267.978   12.035  ?   ?   314.792   7.0751      ?      ? 
1 1 1   -4   23    2 o  155.776   9.4713   62.223   7.7031   80.135   13.138   52.838   9.5092  171.908   14.143  139.643   12.602 32.26476 18.94266 
1 1 1   -4   23    3 o  273.037   7.9154  203.787   11.168  195.203   18.559  208.661   13.984  268.391   12.797  277.683   9.3195 -9.291656 15.83080 
1 1 1   -4   23    4 o   94.290   15.001   24.577   7.2053   27.252   12.169   23.133   8.9410   98.006   23.317   90.573   18.880 7.433365 30.00282 
1 1 1   -4   23    6 o   59.781   16.089   3.4609   8.1333   14.079   11.256  -8.1392   11.765   73.565   24.334   45.996   21.053 27.56923 32.17711 
1 1 1   -4   23    7 o  456.032   7.4590  563.241   18.375  555.343   26.183  570.907   25.795  452.867   10.699  459.197   10.396 -6.330597 14.91795 
1 1 1   -4   23    9 o  387.823   7.0474  406.835   14.759  418.170   21.346  396.452   20.430  392.986   10.052  382.659   9.8803 10.32709 14.09471 
1 1 1   -4   23   10 o  177.538   9.0884   85.517   8.7156   83.487   12.394   87.502   12.259  175.442   13.073  179.635   12.629 -4.192703 18.17688 
1 1 1   -4   23   11 o  150.593   15.292   61.622   12.444   0.0000   0.0000   61.622   12.444  ?   ?   150.593   15.292      ?      ? 
1 1 1   -4   23   14 o  415.238   9.9349  467.087   22.292   0.0000   0.0000  467.087   22.292  ?   ?   415.238   9.9349      ?      ? 
1 1 1   -4   23   16 o  359.406   16.085  351.577   31.239  351.577   31.239   0.0000   0.0000  359.406   16.085  ?   ?       ?      ? 
1 1 1   -4   23   17 o  181.851   15.646   95.431   14.501   72.275   22.873  110.991   18.750  161.910   26.144  201.792   17.195 -39.88228 31.29172 
1 1 1   -4   23   18 o  350.988   10.609  336.013   20.048  303.153   28.342  368.919   28.363  333.651   15.720  368.324   14.250 -34.67346 21.21782 
1 1 1   -4   23   19 o  115.518   21.625   37.581   13.597   45.541   21.209   32.027   17.716  125.294   31.391  105.742   29.752 19.55157 43.25009 
1 1 1   -4   23   20 o   77.363   21.003   9.7245   13.110  -3.1532   19.529   20.288   17.687   66.099   28.878   88.627   30.505 -22.52859 42.00547 
1 1 1   -4   23   21 o  180.179   9.4485   88.315   9.1969   90.992   13.164   85.761   12.855  182.850   13.323  177.508   13.402 5.341599 18.89701 
1 1 1   -4   23   22 o   52.342   15.515   1.2560   7.4280   3.1908   10.437  -0.7298   10.574   54.639   22.319   50.045   21.559 4.594589 31.03082 
1 1 1   -4   23   24 o   70.340   17.044   12.682   7.8019   13.597   11.341   11.860   10.750   72.167   24.434   68.512   23.770 3.654495 34.08858 
1 1 1   -4   23   25 o  143.817   10.149   56.499   7.8767   56.005   10.847   57.050   11.456  143.189   14.019  144.444   14.678 -1.254745 20.29705 
1 1 1   -4   23   26 o  303.203   6.8587  249.964   11.230  245.473   16.080  254.242   15.691  300.505   9.9024  305.901   9.4925 -5.395782 13.71735 
1 1 1   -4   23   27 o  274.441   7.0080  204.617   10.389  210.589   14.953  199.045   14.444  278.303   9.9429  270.578   9.8787 7.724609 14.01607 
1 1 1   -4   23   28 o  174.485   10.607   81.501   9.4534   77.673   11.494   89.504   16.619  168.675   12.611  180.294   17.059 -11.61955 21.21365 
1 1 1   -4   23   29 o  261.161   9.3761  186.359   13.216  181.577   18.168  191.734   19.260  257.659   13.049  264.663   13.467 -7.003937 18.75219 
1 1 1   -4   23   30 o   76.478   17.390   12.396   9.2678  -0.5295   12.354   29.032   14.016   53.782   23.236   99.174   25.879 -45.39232 34.77967 
1 1 1   -4   23   31 o  209.894   10.083  120.727   11.398  115.586   15.386  126.982   16.969  205.059   13.885  214.730   14.625 -9.670975 20.16632 
1 1 1   -4   23   32 o  225.593   9.9510  137.499   12.007  121.959   15.680  159.527   18.670  210.557   13.782  240.629   14.358 -30.07213 19.90208 
1 1 1   -4   23   33 o  221.756   9.9886  135.359   11.928  133.401   16.159  137.703   17.680  220.161   13.583  223.350   14.649 -3.188614 19.97713 
1 1 1   -4   23   34 o  357.830   7.9089  345.469   14.478  366.892   25.191  334.902   17.692  365.260   12.763  350.400   9.3438 14.85941 15.81777 
1 1 1   -4   23   35 o  173.859   11.402   82.992   10.712   0.0000   0.0000   82.992   10.712  ?   ?   173.859   11.402      ?      ? 
1 1 1   -4   23   36 f  205.335   7.7894  116.043   8.6051  112.804   12.670  118.817   11.724  202.494   11.579  208.175   10.422 -5.681229 15.57871 
1 1 1   -4   23   37 o  190.167   11.031   99.416   11.336   0.0000   0.0000   99.416   11.336  ?   ?   190.167   11.031      ?      ? 
1 1 1   -4   23   38 f   57.849   15.609   6.9660   7.0584   1.4877   10.654   11.252   9.4231   51.460   21.891   64.237   22.257 -12.77701 31.21802 
1 1 1   -4   23   39 o  192.490   8.0612  102.817   8.3131   98.759   12.451  106.081   11.167  188.733   12.209  196.247   10.530 -7.513794 16.12249 
1 1 1   -4   23   40 o  190.558   8.1442  102.021   8.2418   89.889   12.363  111.726   11.057  179.698   12.732  201.419   10.159 -21.72096 16.28843 
1 1 1   -4   23   41 o  110.798   11.818   34.535   7.0153   39.148   10.819   31.188   9.2150  116.942   17.121  104.654   16.295 12.28740 23.63590 
1 1 1   -4   23   42 o  207.093   10.140  118.517   11.348   0.0000   0.0000  118.517   11.348  ?   ?   207.093   10.140      ?      ? 
1 1 1   -4   23   43 o  158.436   9.2345   69.970   7.8369   74.276   12.032   66.796   10.328  162.332   13.716  154.541   12.368 7.791061 18.46904 
1 1 1   -4   23   44 o   62.323   14.005   7.1346   6.7178   22.953   9.8888  -6.4214   9.1543   85.772   21.405   38.874   18.067 46.89824 28.01044 
1 1 1   -4   23   45 o  239.264   7.2088  157.126   9.1957  170.786   14.442  147.812   11.926  247.499   10.799  231.030   9.5527 16.46887 14.41754 
1 1 1   -4   23   46 o  122.528   12.040   46.274   7.3283   35.532   11.342   53.973   9.6017  107.065   20.348  137.990   12.877 -30.92486 24.08017 
1 1 1   -4   23   47 o   69.719   14.304   15.077   6.9192   0.3506   10.821   25.263   8.9995   48.798   21.403   90.639   18.983 -41.84140 28.60808 
1 1 1   -4   23   48 o  161.030   9.1424   73.598   7.8015   75.801   12.355   72.137   10.061  162.226   14.094  159.833   11.649 2.392868 18.28476 
1 1 1   -4   23   49 o  117.088   13.077   44.498   7.4449   31.080   11.696   53.638   9.6530   97.321   22.663  136.855   13.053 -39.53423 26.15360 
1 1 1   -4   23   50 o  183.804   8.4230   97.657   8.2340   89.386   12.435  104.115   10.988  175.733   13.094  191.875   10.598 -16.14191 16.84596 
1 1 1   -4   23   51 o   63.886   16.181   11.916   7.1907   20.013   11.406   6.5766   9.2632   75.318   24.476   52.453   21.173 22.86501 32.36261 
1 1 1   -4   23   53 o   68.668   14.753   16.448   7.3632   0.6875   11.732   26.689   9.4578   48.070   21.610   89.266   20.092 -41.19653 29.50695 
1 1 1   -4   23   54 o   93.572   20.927   36.668   10.829   50.450   21.535   32.005   12.527   96.996   33.644   90.148   24.896 6.848579 41.85348 
1 1 1   -4   23   55 o  106.421   19.036   49.858   11.323   38.243   21.410   54.369   13.342   84.846   32.822  127.995   19.291 -43.14902 38.07122 
1 1 1   -4   23   56 o  276.193   8.5811  227.013   12.679  216.379   16.656  241.667   19.552  270.152   11.410  282.234   12.820 -12.08243 17.16219 
1 1 1   -4   24    1 o  327.050   11.838  290.058   20.922   0.0000   0.0000  290.058   20.922  ?   ?   327.050   11.838      ?      ? 
1 1 1   -4   24    2 o  311.890   7.2058  263.182   12.144   0.0000   0.0000  263.182   12.144  ?   ?   311.890   7.2058      ?      ? 
1 1 1   -4   24    3 o  313.551   7.6340  267.264   12.322  263.739   20.811  269.167   15.291  311.805   12.352  315.297   8.9749 -3.492035 15.26799 
1 1 1   -4   24    4 o  301.943   7.7132  248.452   11.938  242.793   20.293  251.448   14.764  299.145   12.554  304.742   8.9656 -5.596924 15.42641 
1 1 1   -4   24    5 o  103.519   15.550   30.440   8.4259   31.191   11.714   29.635   12.129  104.953   21.381  102.085   22.585 2.867859 31.10054 
1 1 1   -4   24    6 o  139.428   11.654   52.974   8.6552   65.257   12.553   41.843   11.950  154.943   14.993  123.914   17.846 31.02798 23.30841 
1 1 1   -4   24    7 o  121.204   12.702   40.041   8.3191   40.012   11.791   40.070   11.739  121.158   18.010  121.250   17.917 -0.9252167E-01 25.40412 
1 1 1   -4   24    8 o  175.339   9.3945   82.985   8.8714   74.590   12.069   92.852   13.084  165.737   13.476  184.942   13.093 -19.20546 18.78902 
1 1 1   -4   24    9 o  175.939   9.4804   84.080   9.0043   83.556   13.003   84.563   12.481  175.391   13.720  176.487   13.087 -1.096375 18.96078 
1 1 1   -4   24   10 o  369.673   7.0654  369.362   14.094  344.911   19.419  396.578   20.488  356.769   10.073  382.577   9.9105 -25.80786 14.13087 
1 1 1   -4   24   12 o  323.505   9.9779  299.377   15.783  247.748   27.888  323.705   19.144  301.440   17.121  345.570   10.252 -44.12936 19.95590 
1 1 1   -4   24   13 f  329.320   11.054  295.616   19.594  292.568   28.932  298.198   26.630  327.629   16.342  331.012   14.888 -3.383118 22.10704 
1 1 1   -4   24   14 o   62.658   20.129 -11.6783   14.490  -7.9189   23.062 -14.1306   18.627   68.741   30.642   56.575   26.111 12.16592 40.25816 
1 1 1   -4   24   15 o  229.073   13.086  144.037   15.859  141.374   24.986  145.833   20.523  226.987   20.371  231.159   16.431 -4.172348 26.17142 
1 1 1   -4   24   16 o  151.891   18.843   64.628   14.939   67.815   23.182   62.365   19.537  153.576   28.997  150.207   24.070 3.369064 37.68570 
1 1 1   -4   24   17 o  289.644   9.2887  226.910   13.445  224.663   16.151  231.982   24.266  287.712   10.388  291.577   15.401 -3.864746 18.57732 
1 1 1   -4   24   18 o  326.094   9.8140  288.520   17.293   0.0000   0.0000  288.520   17.293  ?   ?   326.094   9.8140      ?      ? 
1 1 1   -4   24   19 o  181.178   8.9982   89.698   8.7711   94.314   12.065   84.523   12.774  186.217   11.990  176.140   13.420 10.07721 17.99640 
1 1 1   -4   24   20 o  175.193   13.297   83.649   12.588   0.0000   0.0000   83.649   12.588  ?   ?   175.193   13.297      ?      ? 
1 1 1   -4   24   21 o  326.890   8.2876  288.868   14.080  283.789   17.573  297.973   23.529  323.218   10.062  330.562   13.172 -7.343597 16.57530 
1 1 1   -4   24   22 o  178.608   16.279   87.545   15.711   0.0000   0.0000   87.545   15.711  ?   ?   178.608   16.279      ?      ? 
1 1 1   -4   24   23 o  136.023   14.621   53.263   10.177   59.617   13.512   44.932   15.471  147.201   16.987  124.844   23.803 22.35654 29.24237 
1 1 1   -4   24   24 o  142.714   13.469   56.626   10.320   62.590   14.405   50.338   14.791  150.701   17.689  134.727   20.316 15.97417 26.93810 
1 1 1   -4   24   25 o  295.372   9.0359  238.420   14.410  243.018   20.102  233.559   20.668  298.379   12.468  292.364   13.082 6.015228 18.07183 
1 1 1   -4   24   26 o   58.296   16.654  -2.4950   8.8733 -13.5405   11.389   14.568   14.155   40.475   19.223   76.117   27.202 -35.64177 33.30846 
1 1 1   -4   24   27 o  126.135   15.301   45.325   10.171   46.959   14.029   43.514   14.768  129.767   20.006  122.504   23.158 7.262604 30.60299 
1 1 1   -4   24   28 f  314.830   9.2047  270.624   15.616  300.225   22.882  244.820   21.364  330.952   12.795  298.708   13.236 32.24387 18.40933 
1 1 1   -4   24   29 o  181.662   9.6139   89.343   9.3239   99.459   14.612   82.394   12.110  190.057   14.227  173.267   12.934 16.79007 19.22779 
1 1 1   -4   24   30 o   80.016   17.601   15.049   8.3963   7.9932   10.227   29.640   14.707   60.515   22.863   99.517   26.765 -39.00209 35.20105 
1 1 1   -4   24   31 o  238.584   13.608  156.779   17.543   0.0000   0.0000  156.779   17.543  ?   ?   238.584   13.608      ?      ? 
1 1 1   -4   24   32 o   66.093   16.331   11.290   7.5713   3.8761   12.004   16.188   9.7567   57.554   23.770   74.632   22.402 -17.07811 32.66264 
1 1 1   -4   24   33 o   97.794   15.341   28.608   7.7801   26.802   12.285   29.818   10.053   94.359   24.029  101.228   19.078 -6.868401 30.68179 
1 1 1   -4   24   34 o   69.600   13.880   12.388   6.7555  -2.1640   9.7713   25.712   9.3500   45.497   20.131   93.703   19.113 -48.20612 27.75922 
1 1 1   -4   24   35 o  270.986   6.8154  201.282   9.9344  199.048   14.722  203.150   13.461  269.421   10.112  272.550   9.1399 -3.129517 13.63079 
1 1 1   -4   24   36 o  112.352   12.673   36.767   7.3863   32.324   10.965   40.458   9.9937  104.578   20.135  120.127   15.396 -15.54871 25.34651 
1 1 1   -4   24   37 o  134.607   10.345   50.187   7.4623   60.128   11.214   42.285   9.9975  146.579   14.157  122.634   15.087 23.94502 20.68901 
1 1 1   -4   24   38 o   72.428   15.293   15.558   6.8612   8.2887   9.9427   22.167   9.4802   59.236   22.504   85.621   20.715 -26.38511 30.58670 
1 1 1   -4   24   39 o  244.429   7.0594  164.841   9.3022  162.682   13.575  166.753   12.773  242.737   10.349  246.122   9.6038 -3.385010 14.11870 
1 1 1   -4   24   40 o   59.750   15.447   8.4075   6.7688   14.459   9.9490   3.1924   9.2358   69.499   22.872   50.001   20.766 19.49842 30.89303 
1 1 1   -4   24   41 o  123.018   11.281   44.084   7.3311   35.974   10.759   51.114   10.016  111.384   17.875  134.651   13.766 -23.26682 22.56171 
1 1 1   -4   24   42 o  149.230   9.6093   63.249   7.6725   60.521   11.525   65.421   10.282  145.800   14.629  152.659   12.464 -6.858459 19.21863 
1 1 1   -4   24   43 o  145.372   9.7050   60.391   7.5597   55.979   11.150   64.146   10.285  139.878   14.751  150.867   12.616 -10.98851 19.40994 
1 1 1   -4   24   44 o  120.540   11.513   41.903   7.4621   47.707   11.171   37.226   10.027  128.081   16.140  112.999   16.422 15.08259 23.02607 
1 1 1   -4   24   45 o  435.213   9.8983  526.659   23.278   0.0000   0.0000  526.659   23.278  ?   ?   435.213   9.8983      ?      ? 
1 1 1   -4   24   46 o   93.708   14.361   28.070   7.2767   18.716   10.514   36.669   10.081   75.779   23.360  111.637   16.711 -35.85821 28.72216 
1 1 1   -4   24   47 o  166.785   8.8032   78.993   7.9013   82.068   11.801   76.493   10.638  169.408   12.891  164.163   11.992 5.245071 17.60643 
1 1 1   -4   24   48 o   62.173   15.743   11.900   6.9054   7.7287   10.419   15.168   9.2216   56.174   22.532   68.172   21.994 -11.99766 31.48691 
1 1 1   -4   24   49 o  195.793   8.1480  110.416   8.5502   96.672   12.232  123.548   11.956  182.961   12.372  208.626   10.606 -25.66545 16.29591 
1 1 1   -4   24   50 o   62.614   22.858   12.364   10.062   0.0000   0.0000   12.364   10.062  ?   ?    62.614   22.858      ?      ? 
1 1 1   -4   24   51 o  127.740   15.509   48.722   10.705   0.0000   0.0000   48.722   10.705  ?   ?   127.740   15.509      ?      ? 
1 1 1   -4   24   52 o   47.851   15.454  -1.8148   9.9965 -35.0901   20.329   8.7973   11.480   41.338   20.753   54.364   22.904 -13.02641 30.90765 
1 1 1   -4   24   53 o  114.954   18.196   59.691   11.375   32.455   21.742   69.955   13.347   80.316   32.431  149.593   16.511 -69.27684 36.39226 
1 1 1   -4   24   54 o   64.295   17.357   16.305   8.5728   11.058   11.802   22.167   12.474   56.635   23.494   71.955   25.554 -15.32018 34.71311 
1 1 1   -4   25    2 o  255.971   10.610  177.709   14.675   0.0000   0.0000  177.709   14.675  ?   ?   255.971   10.610      ?      ? 
1 1 1   -4   25    3 o   84.219   27.647   18.968   14.540   0.0000   0.0000   18.968   14.540  ?   ?    84.219   27.647      ?      ? 
1 1 1   -4   25    4 f  343.132   8.9787  320.077   16.637  325.450   23.226  314.414   23.842  346.133   12.418  340.130   12.972 6.002747 17.95740 
1 1 1   -4   25    5 o  364.553   9.0962  359.088   17.831  341.216   23.845  381.757   26.856  354.392   12.452  374.715   13.263 -20.32303 18.19246 
1 1 1   -4   25    6 o  256.992   9.8262  179.205   13.616  163.378   18.765  196.802   19.787  245.006   14.174  268.978   13.614 -23.97203 19.65244 
1 1 1   -4   25    7 f  119.160   25.120   40.676   15.665   0.0000   0.0000   40.676   15.665  ?   ?   119.160   25.120      ?      ? 
1 1 1   -4   25   12 o   48.946   22.361  -8.3874   13.190  -8.3874   13.190   0.0000   0.0000   48.946   22.361  ?   ?       ?      ? 
1 1 1   -4   25   13 o  237.616   10.083  154.896   12.816  180.383   18.153  129.572   18.096  257.399   13.052  217.833   15.373 39.56561 20.16629 
1 1 1   -4   25   14 o   67.436   18.259   8.1400   9.6393   14.041   13.136   1.2565   14.188   74.883   26.260   59.988   25.378 14.89453 36.51889 
1 1 1   -4   25   15 o   78.732   18.999   15.934   9.6852   13.599   13.068   18.779   14.426   74.069   26.173   83.394   27.546 -9.324326 37.99740 
1 1 1   -4   25   16 o  274.224   9.4042  204.855   13.832  203.446   18.445  206.667   20.908  273.296   12.490  275.153   14.062 -1.857239 18.80831 
1 1 1   -4   25   17 f  233.376   9.7358  148.143   12.233  142.365   16.484  155.225   18.249  228.404   13.356  238.349   14.169 -9.944733 19.47165 
1 1 1   -4   25   18 o  232.797   9.6874  147.406   12.127  141.486   16.241  154.865   18.232  227.633   13.204  237.960   14.179 -10.32764 19.37471 
1 1 1   -4   25   19 o  215.454   10.114  127.509   11.702  131.757   15.859  122.432   17.337  219.583   13.366  211.325   15.182 8.257584 20.22730 
1 1 1   -4   25   20 o  362.886   9.3519  359.953   18.326  373.874   25.878  345.946   25.957  370.013   12.942  355.759   13.503 14.25482 18.70374 
1 1 1   -4   25   21 f  352.972   9.2964  340.177   17.676  337.387   24.025  343.468   26.100  351.543   12.647  354.401   13.629 -2.858643 18.59288 
1 1 1   -4   25   22 o  199.627   10.600  109.149   11.410   99.482   15.800  119.685   16.494  190.330   15.362  208.925   14.610 -18.59474 21.20000 
1 1 1   -4   25   23 o  265.060   8.1346  192.777   11.436  185.969   17.800  197.563   14.923  260.782   12.631  269.338   10.253 -8.556519 16.26915 
1 1 1   -4   25   24 o  347.913   6.9991  329.930   13.149  317.538   18.676  342.109   18.515  341.366   10.125  354.460   9.6664 -13.09399 13.99813 
1 1 1   -4   25   25 o  154.684   9.9081   65.774   8.2802   66.730   11.853   64.863   11.572  155.768   14.082  153.600   13.942 2.167999 19.81626 
1 1 1   -4   25   26 o  139.665   10.868   53.968   8.0626   67.414   11.703   41.819   11.124  156.546   13.834  122.784   16.766 33.76155 21.73646 
1 1 1   -4   25   27 o  249.297   7.4000  169.874   9.9575  161.068   14.106  178.622   14.059  242.777   10.752  255.817   10.170 -13.03987 14.79999 
1 1 1   -4   25   28 o  306.414   6.9895  256.376   11.550  236.184   16.223  277.132   16.448  294.070   10.209  318.758   9.5491 -24.68811 13.97904 
1 1 1   -4   25   29 o  115.428   14.609   38.485   8.7041   39.213   11.272   37.410   13.699  118.406   17.617  112.450   23.309 5.956078 29.21810 
1 1 1   -4   25   30 o   62.298   17.088   5.0338   8.1171  -0.4603   9.9433   16.009   14.054   47.932   20.776   76.663   27.136 -28.73108 34.17601 
1 1 1   -4   25   31 o  148.723   10.550   58.884   8.2915   77.095   13.477   47.791   10.518  166.399   14.988  131.048   14.853 35.35135 21.10074 
1 1 1   -4   25   32 o   70.717   17.043   13.770   7.7670   16.088   11.749   11.970   10.352   74.815   24.866   66.618   23.314 8.196701 34.08601 
1 1 1   -4   25   33 o  200.463   8.2004  112.351   8.7189   89.323   12.461  134.442   12.204  179.596   12.840  221.330   10.204 -41.73378 16.40077 
1 1 1   -4   25   34 o  116.684   12.071   38.391   7.5900   42.440   11.158   34.904   10.354  122.447   16.864  110.921   17.275 11.52603 24.14192 
1 1 1   -4   25   35 o   61.283   15.535   9.1217   6.7204   14.581   9.9801   4.5926   9.0903   70.403   22.895   52.163   21.003 18.24010 31.06938 
1 1 1   -4   25   36 o  129.646   11.082   48.012   7.6736   42.945   11.311   52.331   10.445  122.709   17.059  136.583   14.152 -13.87370 22.16480 
1 1 1   -4   25   37 o  108.296   13.147   34.311   7.4186   42.804   10.867   26.898   10.153  122.439   16.424   94.153   20.533 28.28612 26.29409 
1 1 1   -4   25   38 o  126.994   10.771   45.557   7.3582   52.016   10.825   40.009   10.032  135.495   14.785  118.494   15.668 17.00108 21.54253 
1 1 1   -4   25   39 o  170.377   8.7348   81.073   8.0295   83.388   11.743   79.041   11.004  172.542   12.595  168.212   12.106 4.330322 17.46954 
1 1 1   -4   25   40 o   92.450   14.600   26.225   7.1599   33.142   10.474   20.158   9.8098  104.729   19.216   80.170   21.985 24.55900 29.19965 
1 1 1   -4   25   41 o   94.563   14.660   27.730   7.2704   28.475   10.672   27.085   9.9319   95.493   21.231   93.632   20.221 1.860916 29.32001 
1 1 1   -4   25   42 o  142.422   10.137   58.108   7.7432   58.026   11.660   58.173   10.357  141.821   15.215  143.022   13.401 -1.201187 20.27487 
1 1 1   -4   25   43 o   86.015   15.389   23.504   7.1518   25.340   10.462   21.894   9.7984   89.135   21.883   82.895   21.642 6.239502 30.77718 
1 1 1   -4   25   44 o  101.412   13.834   32.106   7.3037   27.591   11.030   35.632   9.7466   92.518   22.320  110.306   16.352 -17.78839 27.66883 
1 1 1   -4   25   45 o   58.352   15.589   9.2520   6.9309   4.8869   10.425   12.709   9.2783   52.782   22.004   63.923   22.089 -11.14016 31.17819 
1 1 1   -4   25   46 o  176.114   11.330   87.770   10.783   0.0000   0.0000   87.770   10.783  ?   ?   176.114   11.330      ?      ? 
1 1 1   -4   25   47 o  138.017   10.544   57.751   7.6332   48.927   11.593   64.505   10.142  126.699   16.933  149.335   12.568 -22.63599 21.08767 
1 1 1   -4   25   48 o  144.057   14.192   60.822   11.048   0.0000   0.0000   60.822   11.048  ?   ?   144.057   14.192      ?      ? 
1 1 1   -4   25   49 o   46.731   15.457  -4.2452   8.5972 -10.3469   17.725  -2.3681   9.8310   50.532   23.994   42.929   19.493 7.602142 30.91355 
1 1 1   -4   25   50 o  135.921   16.290   63.483   10.712   71.689   19.408   59.887   12.847  134.765   27.580  137.077   17.344 -2.312561 32.58003 
1 1 1   -4   25   51 o   72.059   18.783   22.080   10.137   14.318   17.940   25.721   12.286   63.650   27.746   80.467   25.325 -16.81694 37.56645 
1 1 1   -4   25   52 o   45.381   14.627  -1.9802   8.0416  -8.8094   10.781   6.5856   12.074   38.019   18.232   52.744   22.878 -14.72483 29.25455 
1 1 1   -4   26    3 o  103.716   21.539   30.742   11.676   0.0000   0.0000   30.742   11.676  ?   ?   103.716   21.539      ?      ? 
1 1 1   -4   26    4 o   52.207   22.753  -1.8763   12.057   0.0000   0.0000  -1.8763   12.057  ?   ?    52.207   22.753      ?      ? 
1 1 1   -4   26    7 o   94.929   19.529   10.752   11.512  -4.6577   13.349   55.495   22.746   52.392   23.337  137.466   31.320 -85.07410 39.05784 
1 1 1   -4   26    8 o  237.495   8.6677  153.075   11.101  161.171   16.348  146.147   15.122  243.277   12.436  231.712   12.077 11.56441 17.33548 
1 1 1   -4   26    9 o  126.761   13.586   45.234   8.9710   37.725   12.761   52.572   12.614  115.071   21.307  138.451   16.861 -23.38026 27.17112 
1 1 1   -4   26   10 o  166.389   10.615   75.385   9.4978   79.144   14.279   72.402   12.720  170.018   15.542  162.759   14.463 7.258270 21.23036 
1 1 1   -4   26   11 o  275.262   10.641  206.064   15.827   0.0000   0.0000  206.064   15.827  ?   ?   275.262   10.641      ?      ? 
1 1 1   -4   26   12 o  138.070   11.464   52.976   8.4348   57.768   11.387   47.150   12.555  145.292   14.504  130.848   17.757 14.44418 22.92753 
1 1 1   -4   26   13 o   54.349   16.061   1.7823   7.8812  -0.0109   10.721   3.8903   11.625   50.990   21.832   57.709   23.562 -6.718666 32.12106 
1 1 1   -4   26   14 o  520.632   11.092  738.133   31.204   0.0000   0.0000  738.133   31.204  ?   ?   520.632   11.092      ?      ? 
1 1 1   -4   26   15 o  294.897   10.192  236.525   16.241   0.0000   0.0000  236.525   16.241  ?   ?   294.897   10.192      ?      ? 
1 1 1   -4   26   16 o  171.178   14.096   80.192   13.039   0.0000   0.0000   80.192   13.039  ?   ?   171.178   14.096      ?      ? 
1 1 1   -4   26   17 o   53.775   15.874   1.9426   7.6416   0.7831   10.200   3.4263   11.537   50.680   21.483   56.870   23.375 -6.190491 31.74772 
1 1 1   -4   26   18 o  274.383   10.697  205.094   15.860   0.0000   0.0000  205.094   15.860  ?   ?   274.383   10.697      ?      ? 
1 1 1   -4   26   19 o  203.915   8.2924  113.486   9.1338  109.213   12.767  117.967   13.073  199.969   11.815  207.862   11.639 -7.892776 16.58488 
1 1 1   -4   26   21 o  236.583   7.7244  152.865   9.8590  152.505   14.346  153.186   13.572  236.246   11.238  236.919   10.601 -0.6731110 15.44883 
1 1 1   -4   26   22 o  231.489   7.7910  145.927   9.7117  129.753   13.349  164.116   14.155  217.831   11.341  245.148   10.686 -27.31670 15.58192 
1 1 1   -4   26   23 o  188.415   8.6590   97.480   8.8002   92.532   12.588  102.210   12.307  183.632   12.686  193.198   11.789 -9.566727 17.31800 
1 1 1   -4   26   24 o   93.750   22.893   25.938   11.497   0.0000   0.0000   25.938   11.497  ?   ?    93.750   22.893      ?      ? 
1 1 1   -4   26   25 o  100.116   14.405   29.354   7.8387   13.193   10.818   47.217   11.374   69.839   23.863  130.393   16.142 -60.55309 28.81007 
1 1 1   -4   26   26 o  304.945   9.8032  254.062   16.154   0.0000   0.0000  254.062   16.154  ?   ?   304.945   9.8032      ?      ? 
1 1 1   -4   26   27 o   71.473   16.750   14.399   7.5526   15.461   10.623   13.314   10.740   73.370   23.599   69.576   23.777 3.793556 33.49994 
1 1 1   -4   26   28 o   67.795   14.683   9.0958   7.4172  -5.9580   10.262   25.562   10.733   42.980   19.668   92.610   21.807 -49.62993 29.36674 
1 1 1   -4   26   29 o   78.648   17.552   18.411   8.2543   19.804   10.346   15.971   13.692   81.371   22.680   75.924   26.794 5.447258 35.10406 
1 1 1   -4   26   30 o  231.111   8.4551  144.181   10.345  163.221   16.743  132.426   13.156  242.846   12.759  219.377   11.098 23.46878 16.91025 
1 1 1   -4   26   31 o  289.428   7.9656  234.830   12.120  212.117   18.937  250.591   15.775  276.599   12.670  302.257   9.6581 -25.65860 15.93122 
1 1 1   -4   26   32 o   52.668   15.053   1.4684   7.3930  -8.8023   10.678   10.924   10.246   41.257   19.287   64.080   23.116 -22.82299 30.10569 
1 1 1   -4   26   33 o   95.025   14.820   27.292   7.4546   33.847   10.708   21.128   10.384  106.962   19.233   83.087   22.552 23.87511 29.63960 
1 1 1   -4   26   34 o  138.476   10.201   53.880   7.5967   61.177   10.979   47.177   10.522  147.710   13.755  129.242   15.067 18.46802 20.40113 
1 1 1   -4   26   35 o  199.195   8.1997  109.816   8.8035  120.582   12.954  100.577   12.000  208.264   11.511  190.125   11.681 18.13855 16.39934 
1 1 1   -4   26   36 o  160.470   9.5606   73.355   8.1702   63.808   12.039   81.506   11.124  150.011   14.851  170.928   12.044 -20.91707 19.12124 
1 1 1   -4   26   37 o  241.941   7.4069  162.809   9.6486  149.935   13.807  175.098   13.489  232.243   11.002  251.637   9.9202 -19.39389 14.81384 
1 1 1   -4   26   38 o   70.232   16.562   15.076   7.3695   16.294   10.674   13.967   10.187   72.415   23.684   68.049   23.157 4.366043 33.12384 
1 1 1   -4   26   39 o  136.855   10.726   53.534   7.8907   61.601   11.572   46.522   10.788  146.748   14.593  126.963   15.724 19.78541 21.45208 
1 1 1   -4   26   40 o  142.523   9.9829   58.175   7.6161   57.624   11.536   58.601   10.140  141.352   15.103  143.695   13.059 -2.343155 19.96584 
1 1 1   -4   26   41 o   65.323   16.112   12.839   7.0287   10.943   9.9850   14.702   9.8958   61.995   22.750   68.650   22.821 -6.654179 32.22377 
1 1 1   -4   26   42 o   89.163   14.332   25.719   7.3853   11.612   10.636   38.854   10.263   63.269   23.434  115.057   16.507 -51.78786 28.66398 
1 1 1   -4   26   43 o  132.265   10.919   51.182   7.7798   51.655   11.470   50.779   10.587  132.436   16.028  132.094   14.833 0.3422394 21.83804 
1 1 1   -4   26   44 o   63.221   16.148   12.017   7.1250   15.375   10.474   9.1244   9.7206   68.703   23.480   57.739   22.175 10.96379 32.29646 
1 1 1   -4   26   45 o  118.760   15.745   42.302   10.104   0.0000   0.0000   42.302   10.104  ?   ?   118.760   15.745      ?      ? 
1 1 1   -4   26   46 o   71.079   16.331   17.392   7.4530   12.139   11.324   21.407   9.8994   62.648   23.964   79.510   22.194 -16.86219 32.66296 
1 1 1   -4   26   47 o   97.716   18.655   35.127   9.4282   32.140   19.411   36.050   10.786   88.852   31.844  106.581   19.444 -17.72977 37.31091 
1 1 1   -4   26   48 o  117.927   17.605   58.262   11.151   30.856   18.730   73.311   13.879   82.357   30.980  153.497   16.733 -71.14036 35.21001 
1 1 1   -4   26   49 o   52.938   17.128   2.9008   10.166   10.653   18.143  -0.6468   12.274   59.717   26.857   46.159   21.265 13.55803 34.25620 
1 1 1   -4   26   50 o   48.415   14.943   3.6661   7.3746   2.7276   10.971   4.4397   9.9606   48.133   21.312   48.698   20.952 -0.5655785 29.88615 
1 1 1   -4   26   51 o   94.601   15.185   33.251   7.5926   30.425   11.089   35.745   10.417   88.595   22.972  100.607   19.866 -12.01205 30.37074 
1 1 1   -4   27    1 o  302.901   8.4862  249.036   13.890   0.0000   0.0000  249.036   13.890  ?   ?   302.901   8.4862      ?      ? 
1 1 1   -4   27    2 o  352.947   7.1885  337.687   13.710   0.0000   0.0000  337.687   13.710  ?   ?   352.947   7.1885      ?      ? 
1 1 1   -4   27    3 o  189.236   8.9738   97.253   9.1763   0.0000   0.0000   97.253   9.1763  ?   ?   189.236   8.9738      ?      ? 
1 1 1   -4   27    4 o  276.025   8.4798  206.801   12.648   0.0000   0.0000  206.801   12.648  ?   ?   276.025   8.4798      ?      ? 
1 1 1   -4   27    5 o   99.237   14.050   30.276   7.0277   19.786   11.566   36.415   8.8484   83.120   24.250  115.353   14.195 -32.23302 28.09950 
1 1 1   -4   27    6 o  310.934   7.4228  262.586   11.330  264.189   21.013  261.928   13.453  311.147   12.498  310.721   8.0122 0.4261169 14.84551 
1 1 1   -4   27    7 o  139.225   9.8672   51.348   6.9667   57.883   12.494   48.400   8.3923  145.188   15.926  133.262   11.654 11.92683 19.73448 
1 1 1   -4   27    8 o  167.694   9.5698   76.283   8.6379   69.200   11.638   84.969   12.889  159.094   13.538  176.293   13.530 -17.19853 19.13966 
1 1 1   -4   27   10 o  343.609   7.2468  321.198   13.454  315.025   18.872  327.577   19.184  340.250   10.265  346.969   10.232 -6.719696 14.49351 
1 1 1   -4   27   11 o  124.997   12.701   43.251   8.5596   44.709   11.854   41.661   12.373  127.314   17.230  122.679   18.665 4.634033 25.40193 
1 1 1   -4   27   12 o  153.563   10.794   65.039   8.9157   58.397   12.679   71.536   12.540  145.632   16.111  161.494   14.370 -15.86275 21.58852 
1 1 1   -4   27   13 o  149.989   11.107   61.986   8.9083   74.037   12.868   50.893   12.345  164.209   14.501  135.770   16.827 28.43890 22.21357 
1 1 1   -4   27   14 o   58.766   16.067   4.0160   7.9895   13.387   11.172  -5.7923   11.430   71.003   24.250   46.529   21.084 24.47382 32.13431 
1 1 1   -4   27   15 o   65.761   16.485   10.421   7.6859   15.559   10.333   4.0556   11.500   74.206   23.205   57.316   23.422 16.88930 32.96998 
1 1 1   -4   27   16 o  142.002   12.247   59.068   8.3964   85.215   11.949   33.563   11.801  176.349   12.539  107.655   21.041 68.69416 24.49354 
1 1 1   -4   27   17 o  100.413   14.653   29.689   7.8686   41.817   11.103   17.453   11.152  122.812   16.731   78.015   24.060 44.79716 29.30570 
1 1 1   -4   27   18 o  250.920   7.6044  171.948   10.309  168.854   14.437  175.167   14.727  248.620   10.746  253.220   10.763 -4.600128 15.20884 
1 1 1   -4   27   19 o  352.255   10.112  338.637   19.247   0.0000   0.0000  338.637   19.247  ?   ?   352.255   10.112      ?      ? 
1 1 1   -4   27   20 o  188.229   9.1018   96.333   9.1331   76.308   12.305  120.893   13.628  166.472   13.679  209.987   12.010 -43.51523 18.20363 
1 1 1   -4   27   21 o  307.428   7.1957  258.138   11.941  242.454   16.731  274.421   17.048  297.839   10.396  317.018   9.9519 -19.17902 14.39147 
1 1 1   -4   27   22 o  103.044   14.605   31.194   7.9552   42.000   11.309   20.611   11.192  122.638   17.066   83.449   23.707 39.18880 29.21078 
1 1 1   -4   27   23 o  181.521   12.951   90.904   12.704   0.0000   0.0000   90.904   12.704  ?   ?   181.521   12.951      ?      ? 
1 1 1   -4   27   24 o  120.204   12.350   40.629   8.0217   40.368   11.304   40.894   11.385  119.816   17.460  120.591   17.471 -0.7754974 24.70007 
1 1 1   -4   27   25 f   63.550   16.506   9.6576   7.5444   6.2513   10.521   13.264   10.825   57.735   22.809   69.364   23.865 -11.62918 33.01186 
1 1 1   -4   27   26 o  122.269   11.923   41.854   7.8456   36.956   10.739   47.462   11.490  114.487   17.358  130.051   16.350 -15.56386 23.84624 
1 1 1   -4   27   27 o   48.881   15.008  -0.6531   7.3532  -2.8207   9.9073   2.0053   10.972   44.995   20.069   52.767   22.320 -7.771210 30.01543 
1 1 1   -4   27   28 o   70.860   17.919   11.466   8.7410   5.2730   11.015   21.995   14.364   56.808   23.033   84.912   27.456 -28.10431 35.83739 
1 1 1   -4   27   29 o   43.814   14.059  -9.0963   7.6479   2.5518   11.248 -19.1115   10.430   53.578   22.628   34.050   16.692 19.52822 28.11789 
1 1 1   -4   27   30 o   91.341   16.125   25.245   8.0361   32.635   11.886   19.021   10.907  103.756   21.888   78.926   23.684 24.83044 32.24932 
1 1 1   -4   27   31 o   67.344   13.118   6.1819   7.2781   29.904   10.437 -16.2761   10.155   99.870   20.036   34.818   16.937 65.05246 26.23540 
1 1 1   -4   27   32 o  112.593   13.435   37.517   7.9344   41.790   11.146   33.127   11.297  120.627   17.100  104.558   20.727 16.06865 26.87067 
1 1 1   -4   27   33 o  116.805   12.842   40.007   7.8634   45.902   11.277   34.428   10.970  126.564   16.489  107.047   19.691 19.51717 25.68318 
1 1 1   -4   27   34 o  375.373   9.7011  388.978   19.678   0.0000   0.0000  388.978   19.678  ?   ?   375.373   9.7011      ?      ? 
1 1 1   -4   27   35 o   84.985   15.380   22.403   7.3765   14.262   10.205   31.310   10.675   68.743   23.178  101.227   20.223 -32.48418 30.76030 
1 1 1   -4   27   36 o   86.514   15.185   23.586   7.3562   32.593   10.482   14.845   10.326  103.479   19.461   69.549   23.316 33.93003 30.37021 
1 1 1   -4   27   37 o  208.074   7.9962  121.300   8.9844  117.993   12.815  124.496   12.599  205.118   11.562  211.029   11.049 -5.911804 15.99239 
1 1 1   -4   27   38 o   65.171   16.235   12.686   7.1620   14.971   10.121   10.394   10.136   69.157   23.084   61.185   22.834 7.971851 32.46936 
1 1 1   -4   27   39 o   69.277   16.159   14.922   7.2099   18.972   10.012   10.558   10.392   76.868   22.601   61.685   23.100 15.18322 32.31747 
1 1 1   -4   27   40 o  176.637   8.7472   88.625   8.3260   80.960   11.722   96.428   11.828  168.574   12.869  184.699   11.851 -16.12529 17.49431 
1 1 1   -4   27   41 o  131.085   11.376   50.768   7.8050   66.799   11.357   36.419   10.745  152.219   13.807  109.950   18.085 42.26830 22.75268 
1 1 1   -4   27   42 o  101.993   14.069   33.040   7.5484   26.102   10.731   39.835   10.620   88.707   22.386  115.279   17.049 -26.57234 28.13859 
1 1 1   -4   27   43 o   83.153   15.119   23.390   7.4535   11.835   10.437   35.417   10.648   61.355   23.117  104.951   19.493 -43.59520 30.23809 
1 1 1   -4   27   44 o  104.873   14.675   35.744   7.9985   36.487   11.821   35.118   10.863  105.237   21.513  104.509   19.964 0.7279510 29.34903 
1 1 1   -4   27   45 o   98.319   17.999   21.164   11.544   77.050   21.235  -2.2793   13.754  146.615   27.821   50.023   22.845 96.59273 35.99869 
1 1 1   -4   27   46 o   96.011   21.223   38.346   11.914   44.144   19.779   35.045   14.925   98.271   32.245   93.750   27.603 4.520515 42.44639 
1 1 1   -4   27   47 o   76.670   18.543   27.160   11.102   7.7545   19.346   36.689   13.557   58.009   26.715   95.330   25.723 -37.32119 37.08537 
1 1 1   -4   27   48 o   63.222   15.328   11.465   7.4342   25.378   10.908  -0.6030   10.159   82.717   23.371   43.728   19.840 38.98947 30.65646 
1 1 1   -4   27   49 o   88.678   16.078   30.269   7.7479   28.835   11.471   31.472   10.507   84.885   23.961   92.471   21.443 -7.586067 32.15521 
1 1 1   -4   28    1 o  145.144   11.029   57.491   8.6502   0.0000   0.0000   57.491   8.6502  ?   ?   145.144   11.029      ?      ? 
1 1 1   -4   28    2 o  298.686   7.3281  242.113   11.827   0.0000   0.0000  242.113   11.827  ?   ?   298.686   7.3281      ?      ? 
1 1 1   -4   28    3 o  234.686   8.9119  149.799   11.302   0.0000   0.0000  149.799   11.302  ?   ?   234.686   8.9119      ?      ? 
1 1 1   -4   28    4 o  181.074   9.4246   89.253   9.2216   0.0000   0.0000   89.253   9.2216  ?   ?   181.074   9.4246      ?      ? 
1 1 1   -4   28    5 o  136.662   12.021   51.087   8.8773   0.0000   0.0000   51.087   8.8773  ?   ?   136.662   12.021      ?      ? 
1 1 1   -4   28    6 o   73.468   14.939   16.059   6.4072   10.119   10.479   19.605   8.0970   64.545   23.363   82.391   18.624 -17.84534 29.87823 
1 1 1   -4   28    7 f  212.283   8.0359  122.102   8.5629  126.013   15.357  120.337   10.315  214.292   13.262  210.273   9.0783 4.019485 16.07172 
1 1 1   -4   28    8 o  211.822   8.9189  122.871   10.159  124.054   15.165  121.908   13.682  212.603   13.200  211.042   11.997 1.561111 17.83787 
1 1 1   -4   28    9 o  220.769   8.0337  132.828   9.5360  129.184   12.786  137.395   14.314  217.477   10.880  224.062   11.823 -6.585220 16.06736 
1 1 1   -4   28   10 o   86.525   15.895   21.177   7.6179   14.830   10.103   29.541   11.598   72.531   22.982  100.520   21.966 -27.98883 31.79057 
1 1 1   -4   28   11 o   83.320   16.348   20.403   7.9243   27.061   10.927   13.016   11.509   96.212   21.552   70.427   24.586 25.78407 32.69513 
1 1 1   -4   28   12 o  179.025   9.4336   88.094   9.1198   83.961   12.832   92.313   12.964  174.724   13.591  183.326   13.087 -8.601242 18.86717 
1 1 1   -4   28   13 o  252.577   10.979  174.421   14.984   0.0000   0.0000  174.421   14.984  ?   ?   252.577   10.979      ?      ? 
1 1 1   -4   28   14 o   55.366   15.631   2.1431   7.5415  -5.4438   10.200   11.290   11.200   43.607   19.821   67.124   24.175 -23.51725 31.26185 
1 1 1   -4   28   15 o  120.796   13.101   43.029   7.9527   54.459   10.899   30.011   11.631  140.470   14.358  101.121   21.918 39.34860 26.20189 
1 1 1   -4   28   16 o  166.041   9.7453   75.244   8.5799   57.066   11.550   97.628   12.816  143.610   14.883  188.471   12.584 -44.86110 19.49058 
1 1 1   -4   28   18 o   70.591   16.221   13.721   7.5614   20.088   10.228   6.0457   11.229   82.305   22.398   58.877   23.468 23.42726 32.44146 
1 1 1   -4   28   19 o  257.054   10.693  181.195   14.853   0.0000   0.0000  181.195   14.853  ?   ?   257.054   10.693      ?      ? 
1 1 1   -4   28   20 o  188.816   12.910   98.503   13.172   0.0000   0.0000   98.503   13.172  ?   ?   188.816   12.910      ?      ? 
1 1 1   -4   28   21 o  242.814   11.025  162.003   14.466   0.0000   0.0000  162.003   14.466  ?   ?   242.814   11.025      ?      ? 
1 1 1   -4   28   22 o   51.116   15.270   0.4427   7.5406  -5.6357   10.759   6.3119   10.572   44.411   20.252   57.822   22.858 -13.41033 30.53923 
1 1 1   -4   28   23 o  144.729   15.304   58.596   11.969   0.0000   0.0000   58.596   11.969  ?   ?   144.729   15.304      ?      ? 
1 1 1   -4   28   24 o  341.653   7.1718  320.725   13.234  310.160   18.745  331.224   18.687  335.940   10.326  347.366   9.9556 -11.42703 14.34354 
1 1 1   -4   28   26 o  184.471   13.292   94.937   13.250   0.0000   0.0000   94.937   13.250  ?   ?   184.471   13.292      ?      ? 
1 1 1   -4   28   27 o  164.650   11.385   78.251   9.6886   82.447   12.279   71.329   15.770  171.863   13.222  157.438   18.537 14.42551 22.76918 
1 1 1   -4   28   28 o  140.487   11.687   56.550   8.7710   47.005   12.355   66.247   12.453  127.843   17.885  153.131   15.050 -25.28822 23.37474 
1 1 1   -4   28   29 o   68.141   16.897   13.316   7.6867   14.646   11.235   12.145   10.539   70.500   24.310   65.782   23.476 4.717896 33.79485 
1 1 1   -4   28   30 o  120.410   12.696   42.078   8.2236   40.829   12.087   43.155   11.221  118.302   18.908  122.518   16.948 -4.216042 25.39234 
1 1 1   -4   28   31 f  264.575   10.422  193.861   14.900   0.0000   0.0000  193.861   14.900  ?   ?   264.575   10.422      ?      ? 
1 1 1   -4   28   32 o  174.747   9.4810   86.177   8.9519   86.381   12.749   85.978   12.573  174.907   13.489  174.588   13.327 0.3184052 18.96196 
1 1 1   -4   28   33 o  154.081   9.9716   67.041   8.1840   53.026   11.121   83.593   12.087  136.052   15.127  172.109   12.996 -36.05669 19.94324 
1 1 1   -4   28   34 o   84.475   15.855   23.040   7.5696   28.875   10.445   16.586   10.985   96.369   20.677   72.582   24.041 23.78719 31.71013 
1 1 1   -4   28   35 o   78.021   16.112   19.507   7.4880   13.289   10.633   25.626   10.547   66.405   23.592   89.638   21.950 -23.23367 32.22430 
1 1 1   -4   28   36 o   53.773   15.246   2.5035   7.5265   13.555   10.864  -7.6975   10.437   66.942   23.840   40.603   19.009 26.33891 30.49131 
1 1 1   -4   28   37 o   72.670   16.805   16.977   7.6090   16.047   11.035   17.819   10.506   71.055   24.102   74.285   23.425 -3.230049 33.60957 
1 1 1   -4   28   38 o  102.037   14.450   32.688   7.8052   25.388   10.851   40.515   11.236   87.854   22.696  116.221   17.891 -28.36658 28.89939 
1 1 1   -4   28   39 o  158.340   13.911   72.370   11.903   0.0000   0.0000   72.370   11.903  ?   ?   158.340   13.911      ?      ? 
1 1 1   -4   28   40 o  114.317   13.172   40.516   7.9435   36.989   11.048   44.291   11.429  107.866   19.680  120.769   17.513 -12.90382 26.34412 
1 1 1   -4   28   41 o  184.313   12.687   98.423   12.636   0.0000   0.0000   98.423   12.636  ?   ?   184.313   12.687      ?      ? 
1 1 1   -4   28   42 o   68.045   16.619   13.878   10.198 -26.2613   20.184   27.638   11.818   46.829   23.009   89.261   23.987 -42.43204 33.23828 
1 1 1   -4   28   43 o  176.083   14.736  100.776   13.335   88.559   21.321  108.626   17.090  162.265   24.316  189.901   16.654 -27.63602 29.47253 
1 1 1   -4   28   44 o  159.065   17.958  100.574   13.359   52.568   20.316  137.140   17.731  106.801   32.387  211.328   15.527 -104.5267 35.91643 
1 1 1   -4   28   45 o   69.711   16.690   19.048   8.9934   29.885   11.658   3.1194   14.134   88.132   23.884   51.289   23.321 36.84280 33.38099 
1 1 1   -4   28   46 o   70.799   16.524   18.660   7.5936   13.457   10.837   23.677   10.643   61.741   23.485   79.857   23.252 -18.11568 33.04881 
1 1 1   -4   28   47 o   45.764   14.460   0.7035   7.5778   8.7870   11.026  -6.5315   10.432   53.250   22.442   38.278   18.241 14.97187 28.91983 
1 1 1   -4   29    1 o   91.198   17.164   23.844   8.1479   0.0000   0.0000   23.844   8.1479  ?   ?    91.198   17.164      ?      ? 
1 1 1   -4   29    2 o  115.281   13.540   36.584   8.4348   0.0000   0.0000   36.584   8.4348  ?   ?   115.281   13.540      ?      ? 
1 1 1   -4   29    3 o  277.382   9.0747  209.651   13.602   0.0000   0.0000  209.651   13.602  ?   ?   277.382   9.0747      ?      ? 
1 1 1   -4   29    4 o   91.922   16.614   24.146   7.9486   0.0000   0.0000   24.146   7.9486  ?   ?    91.922   16.614      ?      ? 
1 1 1   -4   29    5 o  130.787   11.680   46.879   8.2547   0.0000   0.0000   46.879   8.2547  ?   ?   130.787   11.680      ?      ? 
1 1 1   -4   29    6 o  190.127   7.9591   97.158   7.7745  104.865   13.456   93.295   9.5255  195.324   12.748  184.930   9.5322 10.39369 15.91811 
1 1 1   -4   29    7 o  100.108   12.815   27.535   6.5403   32.140   11.055   25.055   8.1124  105.197   20.182   95.018   15.800 10.17893 25.63062 
1 1 1   -4   29    8 o   87.263   13.808   23.090   6.3237   16.883   10.404   26.726   7.9635   76.288   23.186   98.237   15.002 -21.94810 27.61609 
1 1 1   -4   29    9 o   85.872   14.784   21.098   7.7369   35.023   10.907   6.9953   10.977  111.790   18.056   59.953   23.415 51.83764 29.56816 
1 1 1   -4   29   11 o  189.218   8.7964   99.032   8.9508  106.879   12.440   90.608   12.889  197.239   11.672  181.198   13.163 16.04063 17.59280 
1 1 1   -4   29   12 o  115.801   18.886   37.888   11.818   0.0000   0.0000   37.888   11.818  ?   ?   115.801   18.886      ?      ? 
1 1 1   -4   29   13 o   86.463   16.465   22.404   7.8646   22.949   10.946   21.822   11.308   87.574   22.879   85.352   23.683 2.221458 32.92926 
1 1 1   -4   29   14 o  128.342   15.976   46.044   11.080   46.044   11.080   0.0000   0.0000  128.342   15.976  ?   ?       ?      ? 
1 1 1   -4   29   15 o  262.145   10.392  188.445   14.720   0.0000   0.0000  188.445   14.720  ?   ?   262.145   10.392      ?      ? 
1 1 1   -4   29   16 o   97.825   15.319   28.609   7.8727   29.994   10.760   27.014   11.549  100.842   20.447   94.807   22.818 6.034660 30.63867 
1 1 1   -4   29   17 o  207.413   12.017  118.675   13.468   0.0000   0.0000  118.675   13.468  ?   ?   207.413   12.017      ?      ? 
1 1 1   -4   29   18 o   67.150   16.486   12.332   7.2724   12.319   9.6535   12.350   11.058   66.501   22.543   67.799   24.063 -1.297531 32.97277 
1 1 1   -4   29   19 o   93.159   15.794   25.918   7.8392   22.619   10.557   29.972   11.704   86.535   22.402   99.783   22.270 -13.24842 31.58844 
1 1 1   -4   29   20 o  185.125   8.9268   95.196   8.9180   99.065   12.486   91.166   12.742  189.123   12.218  181.127   13.018 7.996353 17.85366 
1 1 1   -4   29   21 o  122.079   12.017   41.958   7.8676   35.458   10.635   49.815   11.693  111.494   17.653  132.665   16.311 -21.17122 24.03449 
1 1 1   -4   29   22 o   61.783   15.890   6.9275   7.6903  -2.9938   10.527   18.282   11.262   45.957   20.578   77.609   24.218 -31.65199 31.77995 
1 1 1   -4   29   23 o  144.888   10.688   59.172   8.3670   59.035   11.735   59.313   11.933  144.763   15.002  145.013   15.228 -0.2502136 21.37636 
1 1 1   -4   29   24 o  136.371   11.364   52.655   8.3578   48.514   11.477   57.330   12.196  130.603   16.262  142.140   15.878 -11.53683 22.72809 
1 1 1   -4   29   25 o   96.831   15.716   28.819   8.0296   27.529   10.906   30.347   11.866   94.638   21.778   99.023   22.666 -4.384712 31.43236 
1 1 1   -4   29   26 o  193.431   10.463  102.622   10.474   94.818   12.870  117.928   18.025  183.942   12.948  202.921   16.438 -18.97911 20.92550 
1 1 1   -4   29   27 o   62.505   15.616   2.9444   8.2676   23.806   12.478 -13.3807   11.038   86.453   25.178   38.557   18.479 47.89540 31.23179 
1 1 1   -4   29   28 o  126.435   12.612   46.894   8.5083   41.847   12.548   51.189   11.576  119.223   19.476  133.648   16.029 -14.42443 25.22441 
1 1 1   -4   29   29 o  172.996   13.547   84.599   12.664   0.0000   0.0000   84.599   12.664  ?   ?   172.996   13.547      ?      ? 
1 1 1   -4   29   30 o  189.645   12.581  101.257   12.893   0.0000   0.0000  101.257   12.893  ?   ?   189.645   12.581      ?      ? 
1 1 1   -4   29   31 o  128.060   11.858   48.235   8.0736   56.897   11.346   39.351   11.491  140.800   14.913  115.320   18.440 25.47998 23.71547 
1 1 1   -4   29   32 o  141.666   10.852   58.173   8.2754   61.046   11.431   55.010   11.996  145.845   14.504  137.487   16.147 8.357635 21.70475 
1 1 1   -4   29   33 o  269.882   7.4795  203.607   10.893  195.513   15.584  211.339   15.232  264.353   10.910  275.411   10.235 -11.05756 14.95895 
1 1 1   -4   29   34 o   53.574   15.609   5.1063   7.3014   4.1393   10.183   6.1297   10.475   52.026   21.723   55.122   22.420 -3.096123 31.21731 
1 1 1   -4   29   35 o  163.650   9.6500   76.906   8.5326   77.373   12.007   76.429   12.128  164.235   13.530  163.065   13.763 1.169785 19.29990 
1 1 1   -4   29   36 o   59.689   16.342   9.5869   7.5849   11.887   10.436   7.0112   11.043   63.000   23.237   56.377   22.985 6.623890 32.68411 
1 1 1   -4   29   37 f  229.923   8.1213  150.198   10.047  134.865   14.199  165.575   14.219  217.571   12.077  242.274   10.861 -24.70255 16.24261 
1 1 1   -4   29   38 o  132.159   11.988   53.187   8.5444   56.994   12.152   49.465   12.016  137.338   16.374  126.981   17.512 10.35664 23.97517 
1 1 1   -4   29   39 o   46.911   15.877  -7.7977   9.7433 -18.8829   21.514  -4.9374   10.928   51.110   24.813   42.711   19.813 8.398544 31.75310 
1 1 1   -4   29   40 o   84.042   18.887   25.410   12.544  -4.8356   20.121   44.640   16.044   56.641   26.478  111.442   26.940 -54.80124 37.77414 
1 1 1   -4   29   41 f   76.149   20.871   21.597   12.056   24.977   19.146   19.376   15.520   79.209   30.928   73.089   28.032 6.120323 41.74115 
1 1 1   -4   29   42 o   63.028   18.793   14.479   11.715   2.3559   19.161   21.716   14.805   55.150   25.800   70.907   27.332 -15.75755 37.58516 
1 1 1   -4   29   43 o   50.964   15.040   3.2554   7.6379   14.486   10.960  -7.3504   10.650   62.958   23.694   38.971   18.532 23.98716 30.08080 
1 1 1   -4   29   44 o   86.790   16.330   28.121   7.8630   24.635   11.365   31.321   10.890   79.968   24.217   93.613   21.915 -13.64467 32.66084 
1 1 1   -4   29   45 o   35.172   12.135 -12.8868   7.5798 -18.4711   10.798  -7.4626   10.642   32.396   16.083   37.948   18.176 -5.551861 24.27012 
1 1 1   -4   30    1 f   66.465   19.904   12.798   7.7089   0.0000   0.0000   12.798   7.7089  ?   ?    66.465   19.904      ?      ? 
1 1 1   -4   30    2 o  134.468   11.497   49.744   8.3540   0.0000   0.0000   49.744   8.3540  ?   ?   134.468   11.497      ?      ? 
1 1 1   -4   30    3 o   45.310   18.806   1.9477   7.5674   0.0000   0.0000   1.9477   7.5674  ?   ?    45.310   18.806      ?      ? 
1 1 1   -4   30    4 o   56.669   19.914   8.3194   7.5567   0.0000   0.0000   8.3194   7.5567  ?   ?    56.669   19.914      ?      ? 
1 1 1   -4   30    5 o  171.727   9.4755   80.677   8.7928   0.0000   0.0000   80.677   8.7928  ?   ?   171.727   9.4755      ?      ? 
1 1 1   -4   30    6 o   66.374   19.892   12.776   7.6977   0.0000   0.0000   12.776   7.6977  ?   ?    66.374   19.892      ?      ? 
1 1 1   -4   30    7 o  141.597   9.6945   54.931   7.1912   58.423   11.854   52.897   9.0459  144.703   15.160  138.490   12.088 6.212708 19.38907 
1 1 1   -4   30    8 o  113.768   11.968   34.362   6.8694   53.401   11.333   23.305   8.6369  138.317   15.163   89.220   18.521 49.09689 23.93610 
1 1 1   -4   30    9 o  126.323   11.180   43.073   7.2571   49.955   12.716   39.749   8.8378  132.973   17.697  119.674   13.666 13.29948 22.35961 
1 1 1   -4   30   10 o  204.917   8.6454  116.019   9.5688  118.880   13.458  113.093   13.608  207.555   11.999  202.280   12.450 5.275955 17.29089 
1 1 1   -4   30   11 o   42.759   13.910  -7.0820   7.2918  -9.7566   9.5639  -3.3686   11.269   37.887   17.880   47.632   21.312 -9.745068 27.81940 
1 1 1   -4   30   12 o   93.781   15.266   25.962   7.5828   21.198   10.153   31.972   11.403   83.905   22.089  103.656   21.077 -19.75134 30.53153 
1 1 1   -4   30   13 o  140.195   11.717   57.113   8.5068   73.236   11.847   39.953   12.223  162.251   13.512  118.139   19.146 44.11269 23.43425 
1 1 1   -4   30   14 o   53.981   15.519   3.0353   7.3285  -2.3165   9.9242   9.4535   10.868   45.396   20.177   62.567   23.586 -17.17062 31.03859 
1 1 1   -4   30   15 o  113.296   13.796   37.555   8.0118   24.742   10.896   52.639   11.822   90.087   22.460  136.506   16.027 -46.41913 27.59192 
1 1 1   -4   30   16 o   50.330   14.113  -3.4929   7.4178   12.912   9.9432 -24.0803   11.139   67.278   22.878   33.383   16.531 33.89538 28.22549 
1 1 1   -4   30   17 o   57.542   15.981   6.8678   7.2650   7.5191   9.9643   6.1286   10.615   58.071   22.412   57.012   22.787 1.059525 31.96158 
1 1 1   -4   30   18 o   69.202   16.249   12.998   7.6864   21.164   10.795   4.5990   10.947   82.964   23.182   55.440   22.776 27.52406 32.49876 
1 1 1   -4   30   19 o   62.353   16.593   9.6998   7.6073   10.318   10.621   9.0486   10.901   63.180   23.414   61.526   23.518 1.653728 33.18595 
1 1 1   -4   30   20 o  108.309   13.808   34.382   7.8888   30.474   10.665   39.104   11.723  100.481   20.340  116.137   18.680 -15.65684 27.61620 
1 1 1   -4   30   21 f  197.376   12.608  108.917   13.447   0.0000   0.0000  108.917   13.447  ?   ?   197.376   12.608      ?      ? 
1 1 1   -4   30   22 o   81.653   16.609   20.818   7.6966   20.467   10.382   21.247   11.468   81.090   22.762   82.217   24.193 -1.127251 33.21787 
1 1 1   -4   30   24 o  181.025   9.5839   92.438   9.3660   96.638   13.220   88.206   13.271  185.349   13.200  176.700   13.899 8.649185 19.16776 
1 1 1   -4   30   25 o  171.107   17.211   84.955   15.914   0.0000   0.0000   84.955   15.914  ?   ?   171.107   17.211      ?      ? 
1 1 1   -4   30   26 o   65.493   16.784   10.895   8.3693   19.624   11.571   1.3195   12.120   78.350   24.565   52.636   22.877 25.71486 33.56732 
1 1 1   -4   30   27 o  156.452   10.804   70.080   9.1137   74.730   13.450   66.133   12.392  161.127   15.448  151.778   15.110 9.349152 21.60886 
1 1 1   -4   30   28 o  146.920   11.117   62.622   8.7288   73.832   12.496   51.942   12.198  160.582   14.401  133.257   16.939 27.32446 22.23378 
1 1 1   -4   30   29 o   55.463   15.930   5.4808   7.7442   10.470   10.645  -0.1290   11.287   61.763   23.328   49.163   21.700 12.60032 31.86047 
1 1 1   -4   30   30 f  254.962   11.033  181.984   15.200   0.0000   0.0000  181.984   15.200  ?   ?   254.962   11.033      ?      ? 
1 1 1   -4   30   31 o  149.503   10.955   65.485   8.7298   74.927   12.133   55.350   12.570  161.810   13.876  137.196   16.956 24.61391 21.91002 
1 1 1   -4   30   32 o  118.612   13.175   43.391   8.0847   48.278   10.985   37.615   11.942  128.324   15.842  108.900   21.055 19.42398 26.34902 
1 1 1   -4   30   33 f   65.734   16.488   12.433   7.9541   20.694   11.170   3.9356   11.329   78.501   24.058   52.967   22.554 25.53426 32.97629 
1 1 1   -4   30   34 o  136.688   11.242   55.472   8.2127   63.971   11.597   46.921   11.632  148.249   14.477  125.128   17.203 23.12112 22.48398 
1 1 1   -4   30   35 o   79.132   16.885   21.845   7.9553   17.382   11.145   26.479   11.359   70.903   24.221   87.362   23.533 -16.45891 33.77095 
1 1 1   -4   30   36 o   73.492   20.671   15.990   10.224   31.284   23.081   12.257   11.404   84.440   33.650   62.545   24.019 21.89513 41.34261 
1 1 1   -4   30   37 o   59.362   18.739   4.1454   12.118  -2.9640   20.988   7.7004   14.842   58.518   27.251   60.206   25.729 -1.687698 37.47799 
1 1 1   -4   30   38 o  109.757   20.920   47.741   12.933   39.189   20.854   53.086   16.486   96.122   33.121  123.392   25.566 -27.27061 41.84010 
1 1 1   -4   30   39 o  110.824   20.867   52.925   13.207   41.599   20.702   60.698   17.150   93.273   32.943  128.374   25.621 -35.10088 41.73369 
1 1 1   -4   30   40 o   88.772   16.584   30.129   8.1157   26.088   11.172   34.644   11.809   81.543   23.846   96.001   23.055 -14.45782 33.16840 
1 1 1   -4   30   41 o  113.408   13.918   43.104   8.1492   53.062   11.533   33.173   11.517  130.448   16.361   96.369   22.521 34.07875 27.83639 
1 1 1   -4   30   42 o   67.254   15.583   15.431   7.8013   29.430   11.153   2.0194   10.916   88.022   23.142   46.486   20.875 41.53637 31.16613 
1 1 1   -4   31    1 o  139.358   10.913   53.579   8.2182   0.0000   0.0000   53.579   8.2182  ?   ?   139.358   10.913      ?      ? 
1 1 1   -4   31    2 o  194.632   9.0998  103.857   9.5705   0.0000   0.0000  103.857   9.5705  ?   ?   194.632   9.0998      ?      ? 
1 1 1   -4   31    3 o  120.056   13.080   40.133   8.4852   0.0000   0.0000   40.133   8.4852  ?   ?   120.056   13.080      ?      ? 
1 1 1   -4   31    4 o   86.890   17.479   22.179   7.9223   0.0000   0.0000   22.179   7.9223  ?   ?    86.890   17.479      ?      ? 
1 1 1   -4   31    5 o   73.357   18.829   16.037   7.5012   0.0000   0.0000   16.037   7.5012  ?   ?    73.357   18.829      ?      ? 
1 1 1   -4   31    6 o  199.835   8.5304  109.331   9.2114   0.0000   0.0000  109.331   9.2114  ?   ?   199.835   8.5304      ?      ? 
1 1 1   -4   31    7 o  223.722   8.1354  136.882   9.8350   0.0000   0.0000  136.882   9.8350  ?   ?   223.722   8.1354      ?      ? 
1 1 1   -4   31    8 o   83.336   15.151   22.544   7.0094   13.721   11.830   27.317   8.7012   70.005   24.884   96.667   17.292 -26.66192 30.30225 
1 1 1   -4   31    9 o  110.673   12.750   38.013   6.7236   28.829   11.462   42.832   8.3022   97.203   22.296  124.144   12.376 -26.94086 25.50021 
1 1 1   -4   31   10 o   55.330   15.171   6.6019   6.3065   6.3018   10.519   6.7703   7.8795   57.061   22.724   53.598   20.107 3.462814 30.34224 
1 1 1   -4   31   11 o  177.120   9.5532   88.407   9.0627   98.631   12.594   77.427   13.051  188.306   12.377  165.934   14.556 22.37239 19.10649 
1 1 1   -4   31   12 o   91.959   15.577   25.278   7.6962   18.948   10.231   33.528   11.681   78.636   22.769  105.283   21.264 -26.64697 31.15406 
1 1 1   -4   31   13 o  177.319   13.947   88.335   13.364   0.0000   0.0000   88.335   13.364  ?   ?   177.319   13.947      ?      ? 
1 1 1   -4   31   14 o  135.035   11.528   51.787   8.3333   50.161   10.993   53.983   12.777  132.987   15.298  137.082   17.249 -4.094452 23.05544 
1 1 1   -4   31   15 o  117.202   13.720   41.398   8.1969   54.338   11.652   28.722   11.533  138.181   15.605   96.223   22.571 41.95781 27.44004 
1 1 1   -4   31   16 o  113.653   13.580   38.521   8.0570   41.674   10.981   34.845   11.858  120.443   16.872  106.863   21.283 13.57986 27.15962 
1 1 1   -4   31   17 o  120.136   12.381   41.507   8.0086   39.828   10.799   43.559   11.938  117.675   16.983  122.597   18.020 -4.922066 24.76215 
1 1 1   -4   31   18 o  146.348   10.503   59.234   8.1994   49.618   10.677   73.059   12.802  132.192   14.947  160.504   14.760 -28.31172 21.00657 
1 1 1   -4   31   19 o  122.950   12.238   43.196   8.0746   37.220   10.807   50.748   12.149  113.276   17.655  132.625   16.952 -19.34876 24.47625 
1 1 1   -4   31   20 o  185.895   12.546   97.000   12.603   97.000   12.603   0.0000   0.0000  185.895   12.546  ?   ?       ?      ? 
1 1 1   -4   31   21 o  132.593   11.577   50.792   8.2348   43.487   11.469   58.566   11.831  122.210   17.368  142.975   15.313 -20.76555 23.15425 
1 1 1   -4   31   22 o  139.748   11.119   55.958   8.3670   52.932   11.272   59.671   12.486  135.757   15.366  143.739   16.076 -7.981262 22.23802 
1 1 1   -4   31   23 o  182.576   12.481   93.953   12.313   93.953   12.313   0.0000   0.0000  182.576   12.481  ?   ?       ?      ? 
1 1 1   -4   31   24 o  101.459   15.511   27.588   8.7244   12.307   10.725   57.477   15.000   64.928   23.615  137.989   20.116 -73.06159 31.02173 
1 1 1   -4   31   25 o   47.217   14.861  -1.1758   7.6167  -1.9915   10.358  -0.2153   11.239   45.446   20.377   48.988   21.637 -3.541569 29.72135 
1 1 1   -4   31   26 o  109.790   15.178   37.312   8.7792   49.414   12.945   27.005   11.946  128.772   18.604   90.809   23.988 37.96282 30.35613 
1 1 1   -4   31   27 o   88.412   16.250   24.766   7.9679   18.006   10.674   33.275   11.975   74.725   23.616  102.100   22.326 -27.37472 32.49904 
1 1 1   -4   31   28 o  140.477   11.225   57.596   8.5063   55.902   11.640   59.538   12.462  138.476   15.556  142.478   16.186 -4.002182 22.44913 
1 1 1   -4   31   29 o   51.518   15.546   3.2714   7.6835   5.2445   10.368   0.8683   11.443   53.186   22.039   49.850   21.933 3.335609 31.09296 
1 1 1   -4   31   30 o   56.695   15.593   5.4619   7.7535   16.026   10.862  -5.5140   11.071   70.138   23.911   43.253   20.021 26.88437 31.18666 
1 1 1   -4   31   31 o  184.089   9.1207   97.418   9.0699   98.703   12.730   96.094   12.926  185.490   12.701  182.687   13.094 2.802155 18.24140 
1 1 1   -4   31   32 o   70.130   14.136   10.083   7.9615 -11.8880   10.919   35.018   11.633   37.720   18.156  102.541   21.673 -64.82090 28.27264 
1 1 1   -4   31   33 o   59.708   18.937  -3.0101   10.435   25.405   22.559 -10.7449   11.770   79.226   32.639   40.190   19.214 39.03586 37.87434 
1 1 1   -4   31   34 o   47.657   16.394 -19.1095   13.062 -18.7883   20.830 -19.3176   16.768   50.619   24.538   44.696   21.747 5.923462 32.78790 
1 1 1   -4   31   35 o   49.781   16.865 -14.8338   12.224  -1.5016   20.101 -22.6577   15.398   58.522   27.050   41.041   20.151 17.48095 33.73067 
1 1 1   -4   31   36 o   64.621   19.656   12.178   12.683   5.0631   19.604   17.300   16.633   60.174   27.401   69.068   28.189 -8.893600 39.31226 
1 1 1   -4   31   37 o   65.518   17.162   16.820   8.1017   13.889   11.095   20.167   11.858   60.883   23.607   70.152   24.916 -9.269295 34.32304 
1 1 1   -4   31   38 o   37.689   12.844 -10.7522   7.8127  -8.1208   10.647 -13.8218   11.500   38.571   18.394   36.806   17.930 1.765507 25.68731 
1 1 1   -4   31   39 o   54.369   15.948   7.7076   8.0351   13.529   11.086   1.2643   11.663   61.346   23.649   47.392   21.403 13.95332 31.89610 
1 1 1   -4   31   40 o   66.680   16.941   18.326   7.9490   21.614   10.885   14.570   11.636   72.617   23.925   60.743   23.991 11.87399 33.88179 
1 1 1   -4   32    1 f  219.881   9.5323  133.237   11.326   0.0000   0.0000  133.237   11.326  ?   ?   219.881   9.5323      ?      ? 
1 1 1   -4   32    2 o  136.322   11.688   51.721   8.6098   0.0000   0.0000   51.721   8.6098  ?   ?   136.322   11.688      ?      ? 
1 1 1   -4   32    3 o  296.250   13.397  246.517   21.446   0.0000   0.0000  246.517   21.446  ?   ?   296.250   13.397      ?      ? 
1 1 1   -4   32    4 o  144.494   11.104   57.950   8.6698   0.0000   0.0000   57.950   8.6698  ?   ?   144.494   11.104      ?      ? 
1 1 1   -4   32    5 o   54.524   20.000   7.5754   7.7164   0.0000   0.0000   7.5754   7.7164  ?   ?    54.524   20.000      ?      ? 
1 1 1   -4   32    6 o  100.388   14.412   28.487   7.8177   0.0000   0.0000   28.487   7.8177  ?   ?   100.388   14.412      ?      ? 
1 1 1   -4   32    7 o  134.872   11.965   50.716   8.7204   0.0000   0.0000   50.716   8.7204  ?   ?   134.872   11.965      ?      ? 
1 1 1   -4   32    8 o  225.684   8.1650  139.667   9.9574   0.0000   0.0000  139.667   9.9574  ?   ?   225.684   8.1650      ?      ? 
1 1 1   -4   32    9 o   66.461   15.322   13.327   6.4143   9.4752   10.420   15.677   8.1393   61.144   23.083   71.779   20.156 -10.63441 30.64481 
1 1 1   -4   32   10 o  209.047   8.1550  116.695   8.5967  135.653   15.661  108.518   10.285  219.755   13.188  198.339   9.5962 21.41580 16.31004 
1 1 1   -4   32   11 o   47.808   14.203  -1.0466   6.3000   8.8784   10.530  -6.5800   7.8624   60.243   23.093   35.374   16.541 24.86897 28.40628 
1 1 1   -4   32   12 o  146.168   15.994   61.242   12.633   0.0000   0.0000   61.242   12.633  ?   ?   146.168   15.994      ?      ? 
1 1 1   -4   32   13 o   81.148   16.354   21.196   7.9783   28.195   10.685   12.378   11.994   95.472   21.257   66.823   24.858 28.64864 32.70802 
1 1 1   -4   32   14 o   55.581   15.754   4.7358   7.6711   11.717   10.641  -2.8173   11.069   64.549   23.516   46.614   20.969 17.93501 31.50703 
1 1 1   -4   32   15 o  121.827   12.751   43.480   8.3938   43.769   11.894   43.193   11.847  122.244   18.006  121.410   18.058 0.8348236 25.50132 
1 1 1   -4   32   16 f   68.321   16.832   13.556   7.7761   9.1497   10.674   18.538   11.351   60.290   23.217   76.352   24.377 -16.06171 33.66416 
1 1 1   -4   32   17 o  121.247   12.882   44.149   8.1201   49.838   11.222   37.896   11.765  131.407   15.804  111.088   20.348 20.31902 25.76461 
1 1 1   -4   32   18 o  106.234   14.610   36.501   8.0426   47.926   10.905   22.877   11.908  128.808   15.668   83.661   24.663 45.14674 29.21932 
1 1 1   -4   32   19 o   49.647   15.149   1.7125   7.3621   2.6606   9.6519   0.3935   11.384   49.330   20.904   49.964   21.933 -0.6342659 30.29879 
1 1 1   -4   32   20 o  123.248   12.567   45.693   8.0176   54.090   11.275   37.102   11.403  136.828   15.249  109.668   19.979 27.16068 25.13352 
1 1 1   -4   32   21 o   67.440   16.689   13.144   7.6588   8.2376   10.280   19.266   11.482   57.956   22.653   76.925   24.513 -18.96983 33.37746 
1 1 1   -4   32   22 o   58.248   15.436   6.5621   7.7329   16.703   10.164  -7.3773   11.916   72.426   23.061   44.069   20.526 28.35796 30.87278 
1 1 1   -4   32   23 o   46.920   15.110  -3.3265   8.0217  -3.9156   9.9193  -2.2131   13.637   42.548   19.420   51.293   23.156 -8.745323 30.22087 
1 1 1   -4   32   24 o  118.154   14.437   43.881   8.8413   52.142   12.358   35.219   12.654  132.493   17.261  103.815   23.148 28.67805 28.87473 
1 1 1   -4   32   25 o  101.847   16.437   34.227   8.8523   32.230   12.501   36.236   12.537   98.333   23.786  105.360   22.691 -7.027328 32.87329 
1 1 1   -4   32   26 o  119.305   13.675   44.304   8.4775   48.209   11.506   39.666   12.539  127.455   16.706  111.155   21.654 16.29995 27.34912 
1 1 1   -4   32   27 f   49.667   15.314   1.3549   7.8766   5.0917   10.701  -3.0640   11.636   53.128   22.233   46.206   21.068 6.922070 30.62895 
1 1 1   -4   32   28 o   59.962   15.718   6.9470   7.7035  -4.1229   10.224   21.485   11.717   42.016   19.375   77.907   24.756 -35.89040 31.43627 
1 1 1   -4   32   29 o   37.687   12.896 -13.4863   8.0495 -12.9072   11.251 -14.0935   11.521   37.749   18.235   37.626   18.242 0.1233253 25.79277 
1 1 1   -4   32   30 o   70.056   20.924   13.964   14.483  -0.5973   22.490   24.279   18.930   61.005   28.342   79.108   30.790 -18.10317 41.84851 
1 1 1   -4   32   31 o   67.148   20.134   11.692   13.186   0.8741   21.066   18.660   16.908   60.997   28.011   73.300   28.929 -12.30285 40.26832 
1 1 1   -4   32   32 o   74.381   21.551   19.737   13.817   18.383   20.603   20.845   18.627   73.344   30.780   75.418   30.171 -2.073952 43.10101 
1 1 1   -4   32   33 o   62.873   18.032   5.5397   9.5233  -5.1844   11.381   30.586   17.393   42.403   19.852   83.342   30.110 -40.93884 36.06477 
1 1 1   -4   32   34 o   56.327   16.364   10.448   8.0005   8.4028   11.007   12.740   11.649   53.435   22.465   59.219   23.799 -5.783894 32.72786 
1 1 1   -4   32   35 o   73.059   17.335   20.463   8.0673   18.822   11.070   22.322   11.781   70.380   24.138   75.738   24.887 -5.357567 34.67029 
1 1 1   -4   32   36 o   97.295   15.140   33.949   8.3760   17.761   11.594   51.620   12.114   67.883   24.574  126.706   17.693 -58.82273 30.28080 
1 1 1   -4   32   37 o   46.957   15.019   2.1418   8.1960  -0.3196   11.623   4.5764   11.559   44.805   20.660   49.109   21.804 -4.303623 30.03740 
1 1 1   -4   33    1 f  142.621   10.930   56.680   8.4238   0.0000   0.0000   56.680   8.4238  ?   ?   142.621   10.930      ?      ? 
1 1 1   -4   33    2 o   40.900   18.005  -0.8492   7.7205   0.0000   0.0000  -0.8492   7.7205  ?   ?    40.900   18.005      ?      ? 
1 1 1   -4   33    3 o   62.992   20.231   11.906   7.8089   0.0000   0.0000   11.906   7.8089  ?   ?    62.992   20.231      ?      ? 
1 1 1   -4   33    4 o   97.675   15.368   27.388   8.1115   0.0000   0.0000   27.388   8.1115  ?   ?    97.675   15.368      ?      ? 
1 1 1   -4   33    5 o  129.176   11.946   46.798   8.3383   0.0000   0.0000   46.798   8.3383  ?   ?   129.176   11.946      ?      ? 
1 1 1   -4   33    6 o  104.672   14.505   31.276   8.2042   0.0000   0.0000   31.276   8.2042  ?   ?   104.672   14.505      ?      ? 
1 1 1   -4   33    7 o   68.267   20.560   14.368   8.2080   0.0000   0.0000   14.368   8.2080  ?   ?    68.267   20.560      ?      ? 
1 1 1   -4   33    8 o   75.194   19.155   17.416   7.8047   0.0000   0.0000   17.416   7.8047  ?   ?    75.194   19.155      ?      ? 
1 1 1   -4   33    9 o   53.934   20.325   7.3350   8.0688   0.0000   0.0000   7.3350   8.0688  ?   ?    53.934   20.325      ?      ? 
1 1 1   -4   33   10 o   73.915   15.817   17.292   6.6396   16.347   11.764   17.733   8.0430   72.203   24.877   75.627   19.541 -3.424385 31.63407 
1 1 1   -4   33   11 o   62.703   15.804   11.321   6.5787   11.982   10.920   10.944   8.2423   64.536   23.775   60.869   20.829 3.667248 31.60812 
1 1 1   -4   33   12 o  101.999   13.727   33.519   6.8478   26.216   11.736   37.289   8.4319   89.615   23.825  114.384   13.642 -24.76942 27.45447 
1 1 1   -4   33   13 o  160.660   10.606   74.206   9.1948   69.890   12.623   79.085   13.420  155.695   15.004  165.626   14.995 -9.931183 21.21250 
1 1 1   -4   33   14 f  156.303   15.795   70.935   13.340   0.0000   0.0000   70.935   13.340  ?   ?   156.303   15.795      ?      ? 
1 1 1   -4   33   15 o  186.013   13.935   98.884   14.006   0.0000   0.0000   98.884   14.006  ?   ?   186.013   13.935      ?      ? 
1 1 1   -4   33   16 o  193.435   13.035  106.214   13.625   0.0000   0.0000  106.214   13.625  ?   ?   193.435   13.035      ?      ? 
1 1 1   -4   33   17 o   61.197   16.506   10.039   7.5379   9.1545   10.059   11.171   11.384   59.026   22.584   63.368   24.078 -4.342010 33.01227 
1 1 1   -4   33   18 f   90.044   16.498   26.592   8.0487   26.469   10.689   26.754   12.232   90.605   22.043   89.483   24.554 1.121895 32.99646 
1 1 1   -4   33   19 o   55.351   16.088   6.2213   7.7162   7.1644   10.262   4.9943   11.705   55.780   22.366   54.922   23.133 0.8583260 32.17664 
1 1 1   -4   33   20 o   66.391   16.967   13.416   7.8240   10.537   10.514   16.988   11.712   60.926   23.143   71.856   24.818 -10.93046 33.93380 
1 1 1   -4   33   21 o  161.844   13.854   75.549   12.116   75.549   12.116   0.0000   0.0000  161.844   13.854  ?   ?       ?      ? 
1 1 1   -4   33   22 o   75.463   18.502   17.801   8.6645   14.295   10.412   25.698   15.626   66.857   23.382   84.068   28.680 -17.21128 37.00330 
1 1 1   -4   33   23 o  153.057   11.878   72.224   9.3153   94.772   13.064   48.897   13.287  180.922   13.362  125.192   19.641 55.73054 23.75549 
1 1 1   -4   33   24 f  139.798   12.705   60.512   9.5496   55.495   13.678   65.282   13.338  133.071   19.022  146.525   16.846 -13.45329 25.40946 
1 1 1   -4   33   25 f   37.219   12.745 -13.8785   7.8220 -17.5697   10.606  -9.4753   11.583   33.861   16.646   40.577   19.304 -6.715679 25.49000 
1 1 1   -4   33   26 o   63.820   19.663   4.8241   11.534   23.491   21.866  -2.3718   13.576   78.166   32.160   49.474   22.634 28.69195 39.32603 
1 1 1   -4   33   27 o   89.628   23.043   33.271   14.769   25.473   21.065   40.811   20.713   80.675   32.147   98.581   33.023 -17.90620 46.08648 
1 1 1   -4   33   28 o   70.481   20.217   12.364   13.612  -8.0293   20.016   29.910   18.566   54.649   25.814   86.313   31.120 -31.66403 40.43336 
1 1 1   -4   33   29 o  193.779   15.404  122.588   15.713   91.959   21.083  160.856   23.566  163.257   23.898  224.301   19.443 -61.04427 30.80849 
1 1 1   -4   33   30 o   55.129   16.582   8.7636   8.5859   8.7098   11.316   8.8365   13.181   54.464   22.832   55.794   24.053 -1.330406 33.16381 
1 1 1   -4   33   31 o   57.133   16.512   9.9608   8.1706   5.0652   10.918   16.193   12.319   49.863   21.692   64.403   24.901 -14.53958 33.02466 
1 1 1   -4   33   32 o   48.499   15.251   2.0213   8.0023  -0.6990   10.753   5.3980   11.980   44.694   20.329   52.304   22.738 -7.610142 30.50108 
1 1 1   -4   33   33 o   54.068   15.569   3.9466   8.1525  -9.1268   11.013   19.797   12.126   38.202   18.348   69.934   25.158 -31.73219 31.13795 
1 1 1   -4   33   34 o   54.487   16.226   9.5155   8.2653   12.838   11.459   5.9125   11.933   58.373   23.553   50.601   22.325 7.771645 32.45250 
1 1 1   -4   34    1 o  148.961   14.109   63.499   11.357   0.0000   0.0000   63.499   11.357  ?   ?   148.961   14.109      ?      ? 
1 1 1   -4   34    2 o   84.188   18.404   21.724   8.1388   0.0000   0.0000   21.724   8.1388  ?   ?    84.188   18.404      ?      ? 
1 1 1   -4   34    3 o  182.436   11.567   93.506   11.403   0.0000   0.0000   93.506   11.403  ?   ?   182.436   11.567      ?      ? 
1 1 1   -4   34    4 o   74.547   19.617   17.328   8.0095   0.0000   0.0000   17.328   8.0095  ?   ?    74.547   19.617      ?      ? 
1 1 1   -4   34    5 o  166.941   10.181   77.636   9.1841   0.0000   0.0000   77.636   9.1841  ?   ?   166.941   10.181      ?      ? 
1 1 1   -4   34    6 o  130.756   12.098   48.234   8.5478   0.0000   0.0000   48.234   8.5478  ?   ?   130.756   12.098      ?      ? 
1 1 1   -4   34    7 o  127.783   12.637   46.268   8.7260   0.0000   0.0000   46.268   8.7260  ?   ?   127.783   12.637      ?      ? 
1 1 1   -4   34    8 o   74.877   19.399   17.515   7.9126   0.0000   0.0000   17.515   7.9126  ?   ?    74.877   19.399      ?      ? 
1 1 1   -4   34    9 o   68.298   20.877   14.701   8.4180   0.0000   0.0000   14.701   8.4180  ?   ?    68.298   20.877      ?      ? 
1 1 1   -4   34   10 o  149.934   11.336   63.311   9.1840   0.0000   0.0000   63.311   9.1840  ?   ?   149.934   11.336      ?      ? 
1 1 1   -4   34   11 f   92.892   14.446   22.094   7.0026   45.383   13.147   12.869   8.2741  121.612   20.006   64.172   20.846 57.43945 28.89230 
1 1 1   -4   34   12 o   51.085   15.027   2.0093   6.9305   10.845   11.226  -3.4326   8.8100   62.018   23.827   40.152   18.317 21.86618 30.05401 
1 1 1   -4   34   13 f   52.782   15.314   5.4936   6.7740   5.8018   11.330   5.3222   8.4507   55.212   22.971   50.352   20.258 4.859196 30.62821 
1 1 1   -4   34   14 o   82.116   17.125   22.338   8.5342   13.928   11.797   31.572   12.361   66.937   24.702   97.296   23.725 -30.35928 34.24988 
1 1 1   -4   34   15 o   59.565   16.121   5.0893   8.3329  -7.5136   11.286   20.195   12.356   42.120   19.735   77.010   25.496 -34.89036 32.24131 
1 1 1   -4   34   16 o  123.820   13.295   46.522   8.8657   42.139   12.019   51.752   13.131  117.349   18.954  130.291   18.650 -12.94157 26.59098 
1 1 1   -4   34   17 o   89.242   17.239   27.661   8.5545   28.775   11.636   26.351   12.619   92.073   23.353   86.412   25.365 5.661850 34.47768 
1 1 1   -4   34   18 o   54.387   16.235   5.6943   8.1944   3.7715   11.340   7.7950   11.854   51.722   22.304   57.052   23.596 -5.329826 32.46929 
1 1 1   -4   34   19 f   44.817   14.529  -4.6139   8.0525 -10.5970   10.857   2.7020   12.005   38.343   18.363   51.291   22.519 -12.94757 29.05704 
1 1 1   -4   34   20 o   77.218   16.960   21.179   8.0421   25.460   10.940   16.146   11.862   85.833   23.085   68.603   24.854 17.22969 33.92057 
1 1 1   -4   34   21 o   66.810   18.076   14.689   9.1045   16.880   11.008   9.9482   16.196   70.262   24.072   63.359   26.972 6.903378 36.15172 
1 1 1   -4   34   22 o   60.431   19.791  -1.0535   15.116   2.8604   23.256  -3.9167   19.891   63.995   29.404   56.867   26.498 7.127327 39.58175 
1 1 1   -4   34   23 o   79.384   31.531   24.077   20.205   0.0000   0.0000   24.077   20.205  ?   ?    79.384   31.531      ?      ? 
1 1 1   -4   34   24 o   51.926   17.583 -12.6547   14.122 -17.8851   20.298  -7.7477   19.661   49.924   24.207   53.927   25.507 -4.002972 35.16506 
1 1 1   -4   34   25 o   67.412   20.741   14.351   14.834   1.0367   21.765   25.901   20.271   58.534   27.419   76.290   31.127 -17.75567 41.48116 
1 1 1   -4   34   26 o   77.957   20.481   24.439   10.388   18.021   12.084   42.613   20.333   66.864   24.936   89.051   32.497 -22.18716 40.96133 
1 1 1   -4   34   27 o  124.772   13.533   52.374   8.8053   56.124   12.033   48.051   12.919  132.591   16.794  116.952   21.225 15.63875 27.06554 
1 1 1   -4   34   28 o  160.545   10.850   78.329   9.3646   71.441   12.499   87.142   14.139  152.838   15.135  168.253   15.551 -15.41559 21.69993 
1 1 1   -4   34   29 o   52.590   15.797   6.3014   8.2104   11.555   10.763  -1.0114   12.698   58.356   23.065   46.824   21.593 11.53165 31.59493 
1 1 1   -4   34   30 o   43.878   14.180  -3.0528   8.2231   7.1443   10.786 -17.2029   12.706   51.275   21.924   36.482   17.989 14.79334 28.35988 
1 1 1   -4   35    1 o   55.616   20.747   8.6296   8.3664   0.0000   0.0000   8.6296   8.3664  ?   ?    55.616   20.747      ?      ? 
1 1 1   -4   35    2 o  164.695   12.999   77.851   11.568   0.0000   0.0000   77.851   11.568  ?   ?   164.695   12.999      ?      ? 
1 1 1   -4   35    3 o   89.806   18.053   25.033   8.4567   0.0000   0.0000   25.033   8.4567  ?   ?    89.806   18.053      ?      ? 
1 1 1   -4   35    4 o  145.844   11.358   60.256   8.9513   0.0000   0.0000   60.256   8.9513  ?   ?   145.844   11.358      ?      ? 
1 1 1   -4   35    5 o  164.644   10.390   76.264   9.2440   0.0000   0.0000   76.264   9.2440  ?   ?   164.644   10.390      ?      ? 
1 1 1   -4   35    6 o   50.045   19.804   5.8665   7.9436   0.0000   0.0000   5.8665   7.9436  ?   ?    50.045   19.804      ?      ? 
1 1 1   -4   35    7 o   80.549   18.379   20.533   7.8232   0.0000   0.0000   20.533   7.8232  ?   ?    80.549   18.379      ?      ? 
1 1 1   -4   35    8 f   42.145   18.057   1.5901   7.3438   0.0000   0.0000   1.5901   7.3438  ?   ?    42.145   18.057      ?      ? 
1 1 1   -4   35    9 f   48.143   19.647   4.8009   8.0778   0.0000   0.0000   4.8009   8.0778  ?   ?    48.143   19.647      ?      ? 
1 1 1   -4   35   10 o   46.485   19.437   3.6543   8.1687   0.0000   0.0000   3.6543   8.1687  ?   ?    46.485   19.437      ?      ? 
1 1 1   -4   35   11 o   55.814   21.026   9.1673   8.6341   0.0000   0.0000   9.1673   8.6341  ?   ?    55.814   21.026      ?      ? 
1 1 1   -4   35   12 o   91.843   15.824   28.842   7.4335   28.108   13.261   29.179   8.9762   87.411   26.090   96.274   17.913 -8.862907 31.64769 
1 1 1   -4   35   13 o   80.268   17.092   20.722   7.8251   31.396   13.369   15.159   9.6509   93.287   25.700   67.248   22.541 26.03864 34.18478 
1 1 1   -4   35   14 o   57.588   24.006   7.6532   12.407   7.6532   12.407   0.0000   0.0000   57.588   24.006  ?   ?       ?      ? 
1 1 1   -4   35   15 o   39.935   19.287 -14.1802   12.570 -14.1802   12.570   0.0000   0.0000   39.935   19.287  ?   ?       ?      ? 
1 1 1   -4   35   17 o  268.543   22.560  235.360   32.737  235.360   32.737   0.0000   0.0000  268.543   22.560  ?   ?       ?      ? 
1 1 1   -4   35   18 o   52.918   18.125 -16.2328   15.474 -21.1014   25.884 -13.5248   19.304   55.078   26.847   50.759   24.356 4.319279 36.24902 
1 1 1   -4   35   19 o   59.355   19.748  -3.7511   15.455   11.820   25.580 -12.7027   19.395   68.312   31.181   50.399   24.243 17.91276 39.49687 
1 1 1   -4   35   20 o   48.151   24.022 -32.3649   25.335 -32.3649   25.335   0.0000   0.0000   48.151   24.022  ?   ?       ?      ? 
1 1 1   -4   35   21 o   92.499   23.058   50.671   16.764   29.122   27.198   63.874   21.290   71.300   32.393  113.698   32.823 -42.39779 46.11559 
1 1 1   -4   35   22 o   45.550   14.931  -3.5797   8.9860   5.0045   12.833 -11.8373   12.587   51.730   22.970   39.371   19.083 12.35901 29.86280 
1 1 1   -4   35   23 o   52.205   16.046   4.2092   8.6204   11.050   12.595  -1.8197   11.824   59.049   24.365   45.360   20.888 13.68899 32.09248 
1 1 1   -4   35   24 o   63.789   16.930   14.567   8.2991   19.944   11.256   8.1629   12.284   72.175   24.343   55.403   23.536 16.77160 33.85997 
1 1 1   -4   35   25 o   66.517   16.984   17.122   8.3911   24.525   11.620   9.0551   12.130   78.009   24.639   55.025   23.382 22.98390 33.96722 
1 1 1   -4   35   26 o  108.359   15.485   43.248   8.8974   33.590   12.317   53.785   12.866   91.260   24.474  125.458   18.979 -34.19837 30.97047 
1 1 1   -4   36    1 o  113.063   14.485   37.491   8.8499   0.0000   0.0000   37.491   8.8499  ?   ?   113.063   14.485      ?      ? 
1 1 1   -4   36    2 o  105.733   22.533   37.234   12.480   0.0000   0.0000   37.234   12.480  ?   ?   105.733   22.533      ?      ? 
1 1 1   -4   36    3 o  115.062   20.904   42.788   12.519   0.0000   0.0000   42.788   12.519  ?   ?   115.062   20.904      ?      ? 
1 1 1   -4   36    4 o  146.955   17.134   65.313   13.606   0.0000   0.0000   65.313   13.606  ?   ?   146.955   17.134      ?      ? 
1 1 1   -4   36    5 o  108.122   14.960   34.463   8.7406   0.0000   0.0000   34.463   8.7406  ?   ?   108.122   14.960      ?      ? 
1 1 1   -4   36    6 o   72.929   20.352   17.399   8.3255   0.0000   0.0000   17.399   8.3255  ?   ?    72.929   20.352      ?      ? 
1 1 1   -4   36    7 o   58.115   20.885   10.293   8.3550   0.0000   0.0000   10.293   8.3550  ?   ?    58.115   20.885      ?      ? 
1 1 1   -4   36    8 o   41.065   18.395  -1.1611   8.4195   0.0000   0.0000  -1.1611   8.4195  ?   ?    41.065   18.395      ?      ? 
1 1 1   -4   36    9 o   33.319   15.980  -9.2754   8.2875   0.0000   0.0000  -9.2754   8.2875  ?   ?    33.319   15.980      ?      ? 
1 1 1   -4   36   10 o   46.573   19.803   3.1967   8.7120   0.0000   0.0000   3.1967   8.7120  ?   ?    46.573   19.803      ?      ? 
1 1 1   -4   36   11 o   35.405   16.747  -6.7009   8.4762   0.0000   0.0000  -6.7009   8.4762  ?   ?    35.405   16.747      ?      ? 
1 1 1   -4   36   12 o   82.087   24.653   25.839   11.814   0.0000   0.0000   25.839   11.814  ?   ?    82.087   24.653      ?      ? 
1 1 1   -4   36   13 o   35.780   17.480 -13.8412   11.152   0.0000   0.0000 -13.8412   11.152  ?   ?    35.780   17.480      ?      ? 
1 1 1   -4   36   14 o   55.218   23.413   9.3465   12.120   0.0000   0.0000   9.3465   12.120  ?   ?    55.218   23.413      ?      ? 
1 1 1   -4   36   15 o   54.046   23.011   8.2762   11.792   0.0000   0.0000   8.2762   11.792  ?   ?    54.046   23.011      ?      ? 
1 1 1   -4   36   16 o   56.580   26.650   1.1327   21.057   0.0000   0.0000   1.1327   21.057  ?   ?    56.580   26.650      ?      ? 
1 1 1   -4   36   17 o   59.556   18.820   4.8343   10.146  -0.5222   11.439   24.595   21.970   45.914   20.916   73.197   31.293 -27.28221 37.64006 
1 1 1   -4   36   18 o  107.334   15.077   43.369   8.8546   64.641   12.145   19.229   12.938  144.795   15.522   69.872   25.852 74.92361 30.15377 
1 1 1   -4   36   19 o   77.000   17.595   19.314   8.9453   7.0500   11.033   42.838   15.281   52.293   22.262  101.706   27.253 -49.41269 35.18980 
1 1 1   -4   36   20 o   74.142   17.727   21.959   8.5263   15.423   11.080   31.449   13.351   62.631   23.765   85.654   26.311 -23.02297 35.45437 
1 1 1   -4   36   21 o   92.097   18.377   35.850   9.8600   47.725   14.677   26.083   13.311  108.169   25.523   76.025   26.446 32.14387 36.75325 
1 1 1   -4   37    1 o   62.052   24.483   13.630   12.106   0.0000   0.0000   13.630   12.106  ?   ?    62.052   24.483      ?      ? 
1 1 1   -4   37    2 f   49.400   21.935   2.9860   11.702   0.0000   0.0000   2.9860   11.702  ?   ?    49.400   21.935      ?      ? 
1 1 1   -4   37    3 f   42.671   20.137  -6.0494   12.127   0.0000   0.0000  -6.0494   12.127  ?   ?    42.671   20.137      ?      ? 
1 1 1   -4   37    4 o   52.083   22.752   5.0948   12.121   0.0000   0.0000   5.0948   12.121  ?   ?    52.083   22.752      ?      ? 
1 1 1   -4   37    5 o   59.096   25.748   9.5270   15.431   0.0000   0.0000   9.5270   15.431  ?   ?    59.096   25.748      ?      ? 
1 1 1   -4   37   12 o   53.433   23.369   7.7525   12.818   0.0000   0.0000   7.7525   12.818  ?   ?    53.433   23.369      ?      ? 
1 1 1   -4   37   13 o   40.274   19.742 -14.7613   14.591   0.0000   0.0000 -14.7613   14.591  ?   ?    40.274   19.742      ?      ? 
1 1 1   -4   37   14 o   48.927   15.059  -1.4390   9.1588   16.146   11.905 -26.9369   14.336   62.630   24.406   35.223   17.647 27.40653 30.11781 
1 1 1   -3    0    1 o  122.971   2.7434   40.979   2.5723   40.979   2.5723   40.979   2.5723  122.971   3.8798  122.971   3.8798 0.000000 0.000000 
1 1 1   -3    0    2 f  1550.97   18.385  6509.58  217.771  6509.58  217.771  6509.58  217.771  1550.97   26.001  1550.97   26.001 0.000000 0.000000 
1 1 1   -3    0    3 o  328.325   4.4866  291.591   11.247  291.591   11.247  291.591   11.247  328.325   6.3450  328.325   6.3450 0.000000 0.000000 
1 1 1   -3    0    4 o  1043.29   12.480  2945.01   99.439  2945.01   99.439  2945.01   99.439  1043.29   17.650  1043.29   17.650 0.000000 0.000000 
1 1 1   -3    0    5 o  1803.42   21.386  8813.53  294.541  8813.53  294.541  8813.53  294.541  1803.42   30.244  1803.42   30.244 0.000000 0.000000 
1 1 1   -3    0    6 o  984.678   11.803  2623.62   88.760  2623.62   88.760  2623.62   88.760  984.678   16.692  984.678   16.692 0.000000 0.000000 
1 1 1   -3    0    7 o  2988.66   35.366 24266.11  807.215 24266.11  807.215 24266.11  807.215  2988.66   50.015  2988.66   50.015 0.000000 0.000000 
1 1 1   -3    0    8 f  1218.27   14.518  4016.48  135.074  4016.48  135.074  4016.48  135.074  1218.27   20.531  1218.27   20.531 0.000000 0.000000 
1 1 1   -3    0    9 o  1048.07   12.553  2972.33  100.477  2972.33  100.477  2972.33  100.477  1048.07   17.753  1048.07   17.753 0.000000 0.000000 
1 1 1   -3    0   10 o  105.926   3.1012   30.472   2.5006   30.472   2.5006   30.472   2.5006  105.926   4.3858  105.926   4.3858 0.000000 0.000000 
1 1 1   -3    0   11 o  1186.27   14.160  3808.80  128.285  3808.80  128.285  3808.80  128.285  1186.27   20.025  1186.27   20.025 0.000000 0.000000 
1 1 1   -3    0   12 o  687.027   8.4250  1276.78   44.203  1276.78   44.203  1276.78   44.203  687.027   11.915  687.027   11.915 0.000000 0.000000 
1 1 1   -3    0   13 o  173.292   3.4039   81.327   4.4998   81.327   4.4998   81.327   4.4998  173.292   4.8138  173.292   4.8138 0.000000 0.000000 
1 1 1   -3    0   14 o  1649.62   19.564  7369.19  246.473  7369.19  246.473  7369.19  246.473  1649.62   27.668  1649.62   27.668 0.000000 0.000000 
1 1 1   -3    0   15 o  363.436   4.9786  357.312   13.816  357.312   13.816  357.312   13.816  363.436   7.0408  363.436   7.0408 0.000000 0.000000 
1 1 1   -3    0   16 f  678.094   8.3486  1243.88   43.232  1243.88   43.232  1243.88   43.232  678.094   11.807  678.094   11.807 0.000000 0.000000 
1 1 1   -3    0   17 o  343.098   4.8152  318.462   12.614  318.462   12.614  318.462   12.614  343.098   6.8098  343.098   6.8098 0.000000 0.000000 
1 1 1   -3    0   18 o  783.979   9.5562  1662.96   57.214  1662.96   57.214  1662.96   57.214  783.979   13.515  783.979   13.515 0.000000 0.000000 
1 1 1   -3    0   19 o  1697.28   20.170  7815.73  261.446  7815.73  261.446  7815.73  261.446  1697.28   28.524  1697.28   28.524 0.000000 0.000000 
1 1 1   -3    0   20 o  1515.76   18.045  6234.00  208.889  6234.00  208.889  6234.00  208.889  1515.76   25.520  1515.76   25.520 0.000000 0.000000 
1 1 1   -3    0   21 o  554.897   7.0254  833.175   29.770  833.175   29.770  833.175   29.770  554.897   9.9355  554.897   9.9355 0.000000 0.000000 
1 1 1   -3    0   22 o  506.401   6.5127  693.895   25.185  693.895   25.185  693.895   25.185  506.401   9.2104  506.401   9.2104 0.000000 0.000000 
1 1 1   -3    0   23 o  665.796   8.2556  1199.80   41.975  1199.80   41.975  1199.80   41.975  665.796   11.675  665.796   11.675 0.000000 0.000000 
1 1 1   -3    0   24 f  211.221   4.0098  120.826   6.4618  120.826   6.4618  120.826   6.4618  211.221   5.6707  211.221   5.6707 0.000000 0.000000 
1 1 1   -3    0   25 o  129.706   4.1178   45.740   4.0628   45.740   4.0628   45.740   4.0628  129.706   5.8234  129.706   5.8234 0.000000 0.000000 
1 1 1   -3    0   26 o  143.794   6.1703   56.509   6.7231   56.509   6.7231   56.509   6.7231  143.794   8.7261  143.794   8.7261 0.000000 0.000000 
1 1 1   -3    0   29 o  776.348   9.5273  1631.51   56.485  1631.51   56.485  1631.51   56.485  776.348   13.474  776.348   13.474 0.000000 0.000000 
1 1 1   -3    0   30 o  1195.58   14.336  3873.46  130.901  3873.46  130.901  3873.46  130.901  1195.58   20.275  1195.58   20.275 0.000000 0.000000 
1 1 1   -3    0   31 o  1558.74   18.574  6590.98  221.105  6590.98  221.105  6590.98  221.105  1558.74   26.267  1558.74   26.267 0.000000 0.000000 
1 1 1   -3    0   32 o  528.418   6.8592  755.469   27.677  755.469   27.677  755.469   27.677  528.418   9.7003  528.418   9.7003 0.000000 0.000000 
1 1 1   -3    0   33 o  339.215   5.1125  311.378   13.239  311.378   13.239  311.378   13.239  339.215   7.2301  339.215   7.2301 0.000000 0.000000 
1 1 1   -3    0   34 o  209.893   4.6688  119.405   7.4719  119.405   7.4719  119.405   7.4719  209.893   6.6027  209.893   6.6027 0.000000 0.000000 
1 1 1   -3    0   35 o  471.728   6.3472  602.098   22.862  602.098   22.862  602.098   22.862  471.728   8.9763  471.728   8.9763 0.000000 0.000000 
1 1 1   -3    0   36 o  397.436   5.7030  427.421   17.305  427.421   17.305  427.421   17.305  397.436   8.0653  397.436   8.0653 0.000000 0.000000 
1 1 1   -3    0   37 o  600.830   7.6919  976.900   35.291  976.900   35.291  976.900   35.291  600.830   10.878  600.830   10.878 0.000000 0.000000 
1 1 1   -3    0   38 o  226.620   5.2861  139.256   9.1320  139.256   9.1320  139.256   9.1320  226.620   7.4757  226.620   7.4757 0.000000 0.000000 
1 1 1   -3    0   39 o   55.329   15.897   11.549   6.5922   11.549   6.5922   11.549   6.5922   55.329   22.482   55.329   22.482 0.000000 0.000000 
1 1 1   -3    0   40 f  817.206   10.087  1808.38   62.948  1808.38   62.948  1808.38   62.948  817.206   14.265  817.206   14.265 0.000000 0.000000 
1 1 1   -3    0   41 o   29.153   13.296  -0.0979   6.8730  -0.0979   6.8730  -0.0979   6.8730   29.153   18.803   29.153   18.803 0.000000 0.000000 
1 1 1   -3    0   42 o  112.640   9.2560   35.691   7.6867   35.691   7.6867   35.691   7.6867  112.640   13.090  112.640   13.090 0.000000 0.000000 
1 1 1   -3    0   43 o  553.041   7.3402  828.045   30.997  828.045   30.997  828.045   30.997  553.041   10.381  553.041   10.381 0.000000 0.000000 
1 1 1   -3    0   44 o  318.487   5.6740  274.762   13.790  274.762   13.790  274.762   13.790  318.487   8.0243  318.487   8.0243 0.000000 0.000000 
1 1 1   -3    0   45 o  639.923   8.2243  1109.45   40.189  1109.45   40.189  1109.45   40.189  639.923   11.631  639.923   11.631 0.000000 0.000000 
1 1 1   -3    0   46 o  203.452   6.0428  112.543   9.3574  112.543   9.3574  112.543   9.3574  203.452   8.5458  203.452   8.5458 0.000000 0.000000 
1 1 1   -3    0   47 o   24.024   11.665  -4.8254   6.9342  -4.8254   6.9342  -4.8254   6.9342   24.024   16.496   24.024   16.496 0.000000 0.000000 
1 1 1   -3    0   48 o   29.047   14.062  -6.4077   9.9168  -6.4077   9.9168  -6.4077   9.9168   29.047   19.887   29.047   19.887 0.000000 0.000000 
1 1 1   -3    0   49 o  222.560   8.2524  135.360   13.947  135.360   13.947  135.360   13.947  222.560   11.671  222.560   11.671 0.000000 0.000000 
1 1 1   -3    0   50 o  111.102   13.185   36.329   10.247   36.329   10.247   36.329   10.247  111.102   18.646  111.102   18.646 0.000000 0.000000 
1 1 1   -3    0   51 o   31.577   13.980   1.5716   6.9629   1.5716   6.9629   1.5716   6.9629   31.577   19.771   31.577   19.771 0.000000 0.000000 
1 1 1   -3    0   52 o   62.690   15.302   13.976   6.6032   13.976   6.6032   13.976   6.6032   62.690   21.640   62.690   21.640 0.000000 0.000000 
1 1 1   -3    0   53 o   31.106   13.667   1.8411   6.5292   1.8411   6.5292   1.8411   6.5292   31.106   19.329   31.106   19.329 0.000000 0.000000 
1 1 1   -3    0   54 o   31.140   13.841   1.4408   6.8984   1.4408   6.8984   1.4408   6.8984   31.140   19.574   31.140   19.574 0.000000 0.000000 
1 1 1   -3    0   57 o  164.321   6.6345   74.133   8.2690   74.133   8.2690   74.133   8.2690  164.321   9.3825  164.321   9.3825 0.000000 0.000000 
1 1 1   -3    0   58 o  156.249   6.7072   67.200   7.9411   67.200   7.9411   67.200   7.9411  156.249   9.4854  156.249   9.4854 0.000000 0.000000 
1 1 1   -3    0   59 f   71.377   14.853   17.338   7.0404   17.338   7.0404   17.338   7.0404   71.377   21.005   71.377   21.005 0.000000 0.000000 
1 1 1   -3    0   60 o   42.547   15.925   7.5316   6.9433   7.5316   6.9433   7.5316   6.9433   42.547   22.521   42.547   22.521 0.000000 0.000000 
1 1 1   -3    0   61 o   19.917   10.038  -9.3455   6.7412  -9.3455   6.7412  -9.3455   6.7412   19.917   14.195   19.917   14.195 0.000000 0.000000 
1 1 1   -3    0   62 o   82.065   13.316   21.481   7.2723   21.481   7.2723   21.481   7.2723   82.065   18.832   82.065   18.832 0.000000 0.000000 
1 1 1   -3    0   63 o   53.587   16.904   11.943   7.3484   11.943   7.3484   11.943   7.3484   53.587   23.905   53.587   23.905 0.000000 0.000000 
1 1 1   -3    0   64 o  293.060   5.8196  234.998   13.010  234.998   13.010  234.998   13.010  293.060   8.2302  293.060   8.2302 0.000000 0.000000 
1 1 1   -3    0   65 o  217.745   6.2382  130.471   10.342  130.471   10.342  130.471   10.342  217.745   8.8221  217.745   8.8221 0.000000 0.000000 
1 1 1   -3    0   66 o  217.451   6.1317  130.421   10.153  130.421   10.153  130.421   10.153  217.451   8.6716  217.451   8.6716 0.000000 0.000000 
1 1 1   -3    0   67 o  253.535   6.1617  177.024   11.906  177.024   11.906  177.024   11.906  253.535   8.7139  253.535   8.7139 0.000000 0.000000 
1 1 1   -3    0   68 o   19.713   10.134 -17.1924   8.6232 -17.1924   8.6232 -17.1924   8.6232   19.713   14.331   19.713   14.331 0.000000 0.000000 
1 1 1   -3    0   69 f   26.349   12.812  -4.0793   8.4353  -4.0793   8.4353  -4.0793   8.4353   26.349   18.118   26.349   18.118 0.000000 0.000000 
1 1 1   -3    0   70 o   23.738   11.790  -6.9816   8.2271  -6.9816   8.2271  -6.9816   8.2271   23.738   16.674   23.738   16.674 0.000000 0.000000 
1 1 1   -3    1    2 o  745.184   9.0435  1500.70   36.411  1486.18   50.989  1515.81   52.011  741.507   12.725  748.861   12.853 -7.353821 18.08691 
1 1 1   -3    1    3 o  809.444   9.7783  1770.95   42.762  1752.02   59.808  1790.76   61.165  805.021   13.749  813.866   13.908 -8.844543 19.55658 
1 1 1   -3    1    4 o  552.981   6.8879  826.289   20.578  816.117   28.759  836.961   29.457  549.495   9.6853  556.466   9.7962 -6.970581 13.77573 
1 1 1   -3    1    5 f  1483.42   17.616  5960.62  141.149  6060.70  203.095  5867.12  196.307  1495.42   25.133  1471.42   24.689 23.99658 35.23141 
1 1 1   -3    1    6 o  608.814   7.5180  1001.21   24.719  981.636   34.276  1022.42   35.683  602.621   10.526  615.006   10.737 -12.38562 15.03603 
1 1 1   -3    1    7 o  1124.14   13.417  3417.61   81.478  3465.24  116.849  3372.53  113.672  1131.75   19.107  1116.53   18.841 15.22058 26.83348 
1 1 1   -3    1    8 o  664.534   8.1487  1193.71   29.261  1190.43   41.278  1197.03   41.485  663.615   11.511  665.454   11.537 -1.838501 16.29731 
1 1 1   -3    1    9 o  326.625   4.5280  288.238   7.9908  291.735   11.412  284.874   11.193  328.568   6.4275  324.682   6.3796 3.885895 9.055998 
1 1 1   -3    1   10 o  606.682   7.5135  993.898   24.612  969.463   33.990  1020.83   35.684  598.855   10.504  614.508   10.746 -15.65308 15.02696 
1 1 1   -3    1   11 o  455.162   5.8657  559.632   14.422  549.754   20.075  570.169   20.733  451.014   8.2370  459.310   8.3534 -8.295654 11.73142 
1 1 1   -3    1   12 o  1197.72   14.279  3881.87   92.413  3879.32  130.598  3884.43  130.787  1197.33   20.185  1198.11   20.201 -0.7872314 28.55762 
1 1 1   -3    1   13 f  919.556   11.070  2284.99   54.973  2240.56   76.186  2333.24   79.401  910.247   15.489  928.865   15.819 -18.61761 22.13971 
1 1 1   -3    1   14 o  1868.20   22.142  9464.98  223.520  9427.92  314.706  9502.71  317.524  1864.53   31.235  1871.88   31.391 -7.346436 44.28402 
1 1 1   -3    1   15 o  563.099   7.0667  857.047   21.502  853.715   30.311  860.421   30.507  561.997   9.9812  564.200   10.007 -2.202332 14.13349 
1 1 1   -3    1   16 o  920.918   11.109  2294.13   55.283  2300.14   78.423  2288.20   77.943  922.114   15.739  919.721   15.683 2.392944 22.21866 
1 1 1   -3    1   17 o  1416.30   16.860  5435.23  129.029  5404.55  181.415  5466.63  183.552  1412.27   23.772  1420.33   23.916 -8.063110 33.72041 
1 1 1   -3    1   18 o  1794.41   21.321  8744.53  206.705  8663.26  289.460  8829.10  295.277  1785.95   29.994  1802.86   30.310 -16.91333 42.64145 
1 1 1   -3    1   19 o  947.754   11.432  2432.21   58.548  2428.68   82.726  2435.75   82.874  947.065   16.165  948.442   16.170 -1.376343 22.86440 
1 1 1   -3    1   20 o  304.396   4.5012  250.449   7.4038  249.664   10.454  251.238   10.487  303.918   6.3655  304.874   6.3659 -0.9562988 9.002430 
1 1 1   -3    1   21 o  415.780   5.5628  467.143   12.493  458.707   17.381  476.161   17.971  411.900   7.8088  419.659   7.9246 -7.759186 11.12556 
1 1 1   -3    1   22 o  348.945   4.9320  329.170   9.2996  329.051   13.155  329.289   13.148  348.882   6.9779  349.008   6.9718 -0.1264343 9.863917 
1 1 1   -3    1   23 o  435.139   5.7736  511.795   13.572  502.871   18.934  521.227   19.465  431.241   8.1251  439.038   8.2048 -7.796692 11.54712 
1 1 1   -3    1   24 o  490.142   6.3502  649.660   16.816  656.869   24.033  642.744   23.538  492.804   9.0250  487.481   8.9358 5.322266 12.70036 
1 1 1   -3    1   25 o  664.415   8.2517  1195.06   29.625  1199.96   42.076  1190.25   41.719  665.761   11.696  663.069   11.644 2.692505 16.50337 
1 1 1   -3    1   26 o  362.539   10.184  355.631   19.950  355.631   19.950   0.0000   0.0000  362.539   10.184  ?   ?       ?      ? 
1 1 1   -3    1   28 o  208.141   8.7517  117.162   9.8432  117.162   9.8432   0.0000   0.0000  208.141   8.7517  ?   ?       ?      ? 
1 1 1   -3    1   29 o  1068.88   12.869  3097.66   74.327  3114.86  105.738  3080.86  104.501  1071.80   18.257  1065.96   18.142 5.841064 25.73831 
1 1 1   -3    1   30 o  991.857   11.984  2665.49   64.225  2685.61   91.550  2645.99   90.122  995.530   17.018  988.183   16.877 7.347473 23.96811 
1 1 1   -3    1   31 f  705.862   8.7487  1347.88   33.366  1359.13   47.591  1337.00   46.794  708.754   12.426  702.969   12.319 5.784241 17.49747 
1 1 1   -3    1   32 o  166.665   4.6565   75.075   4.1936   74.626   5.9250   75.526   5.9364  166.166   6.5987  167.165   6.5719 -0.9989166 9.313034 
1 1 1   -3    1   33 o  686.207   8.5531  1273.62   31.714  1265.66   44.588  1281.77   45.116  684.040   12.063  688.374   12.129 -4.333862 17.10626 
1 1 1   -3    1   34 o  848.850   10.370  1950.22   47.564  1935.78   66.775  1965.09   67.767  845.666   14.613  852.034   14.719 -6.368591 20.74065 
1 1 1   -3    1   35 o  957.865   11.616  2484.74   60.122  2472.97   84.620  2496.73   85.437  955.581   16.388  960.149   16.467 -4.567871 23.23196 
1 1 1   -3    1   36 o  453.212   6.2018  555.332   15.188  553.153   21.391  557.547   21.568  452.317   8.7517  454.108   8.7896 -1.791443 12.40361 
1 1 1   -3    1   37 o  292.265   5.1298  230.734   8.0983  224.237   11.263  237.686   11.652  288.010   7.2371  296.520   7.2721 -8.510498 10.25963 
1 1 1   -3    1   38 o  394.337   5.7695  420.465   12.294  418.460   17.337  422.493   17.436  393.391   8.1556  395.282   8.1630 -1.891052 11.53903 
1 1 1   -3    1   39 o  406.745   5.9351  446.391   13.029  427.983   17.889  467.184   19.013  397.838   8.3213  415.653   8.4652 -17.81485 11.87024 
1 1 1   -3    1   40 o  430.805   6.1633  501.860   14.346  506.859   20.476  497.040   20.106  432.910   8.7529  428.699   8.6795 4.210236 12.32663 
1 1 1   -3    1   42 o  619.380   7.9895  1038.52   26.738  1046.91   38.087  1030.36   37.546  621.843   11.335  616.917   11.263 4.926575 15.97893 
1 1 1   -3    1   43 o  513.057   6.9720  712.241   19.325  702.388   27.007  722.581   27.666  509.426   9.8107  516.688   9.9088 -7.261719 13.94398 
1 1 1   -3    1   44 o  802.796   9.9785  1748.57   43.287  1753.35   61.360  1743.83   61.074  803.885   14.126  801.708   14.098 2.177124 19.95695 
1 1 1   -3    1   45 o  1106.77   13.452  3340.98   80.448  3344.15  113.873  3337.82  113.669  1107.29   19.031  1106.25   19.015 1.040161 26.90303 
1 1 1   -3    1   46 o  499.573   6.8310  676.037   18.439  669.468   25.899  682.789   26.259  497.115   9.6414  502.031   9.6795 -4.916168 13.66199 
1 1 1   -3    1   47 o  241.747   5.6643  158.194   7.3980  154.985   10.347  161.551   10.582  239.240   8.0034  244.254   8.0176 -5.014496 11.32853 
1 1 1   -3    1   48 o  275.411   6.8048  203.911   9.5591  200.321   11.674  211.216   16.653  271.934   7.9445  278.888   11.050 -6.954529 13.60954 
1 1 1   -3    1   49 o  434.213   8.8834  511.338   20.844   0.0000   0.0000  511.338   20.844  ?   ?   434.213   8.8834      ?      ? 
1 1 1   -3    1   50 o  171.564   8.2618   85.092   7.0089   66.734   11.922   94.788   8.6644  156.234   14.122  186.894   8.5793 -30.65964 16.52352 
1 1 1   -3    1   51 o  252.294   6.6758  174.040   8.6719  176.609   10.786  169.347   14.583  255.167   7.8228  249.421   10.820 5.746307 13.35153 
1 1 1   -3    1   52 o   33.850   10.969  -5.3896   4.6455  -1.5317   6.6331  -9.1036   6.5082   38.101   16.733   29.600   14.187 8.501101 21.93783 
1 1 1   -3    1   53 o  203.171   5.6975  112.146   6.2514  106.863   8.7584  117.634   8.9256  198.277   8.1745  208.066   7.9387 -9.788635 11.39498 
1 1 1   -3    1   54 o  173.608   8.6119   82.633   8.0788   81.937   11.408   83.333   11.443  172.867   12.212  174.348   12.146 -1.480621 17.22377 
1 1 1   -3    1   56 o  209.038   12.611  120.608   14.245  120.608   14.245   0.0000   0.0000  209.038   12.611  ?   ?       ?      ? 
1 1 1   -3    1   57 o   96.448   11.996   24.600   5.8928   34.257   10.271   19.862   7.1946  110.191   17.250   82.706   16.674 27.48524 23.99151 
1 1 1   -3    1   58 o  158.095   6.7294   68.832   5.7169   60.501   8.0741   77.207   8.0958  148.321   10.074  167.870   8.9249 -19.54889 13.45885 
1 1 1   -3    1   59 f   68.119   12.192   13.229   4.9444   22.302   7.2004   5.1331   6.8014   87.608   15.791   48.630   18.579 38.97844 24.38320 
1 1 1   -3    1   60 o  112.636   9.1368   36.124   5.3985   26.451   7.6208   45.867   7.6486   96.692   14.586  128.580   11.008 -31.88746 18.27357 
1 1 1   -3    1   61 o   66.151   12.741   13.065   5.0608   6.2511   7.2434   19.563   7.0736   51.134   19.259   81.168   16.685 -30.03441 25.48162 
1 1 1   -3    1   62 o   63.280   13.156   11.685   5.1300   17.751   7.3674   5.9750   7.1474   76.377   18.124   50.183   19.076 26.19372 26.31300 
1 1 1   -3    1   63 f  186.598   6.3964   96.041   6.4312  106.773   9.3711   86.487   8.8422  196.526   8.8243  176.670   9.2621 19.85593 12.79281 
1 1 1   -3    1   64 o  149.650   7.7085   62.941   6.1961   55.262   8.7605   70.626   8.7647  140.152   11.568  159.148   10.192 -18.99632 15.41693 
1 1 1   -3    1   65 o  108.258   9.9747   33.751   5.8174   37.579   8.4875   30.359   7.9892  114.201   13.754  102.315   14.450 11.88552 19.94931 
1 1 1   -3    1   66 o   99.967   11.191   30.116   5.8055   37.333   8.4796   23.749   7.9650  112.912   13.898   87.023   17.544 25.88873 22.38160 
1 1 1   -3    1   67 o  104.818   11.480   33.222   6.2452   40.562   9.0388   26.516   8.6388  117.682   14.214   91.953   18.030 25.72823 22.95917 
1 1 1   -3    1   68 o  193.454   7.1113  105.417   7.3988  120.630   10.851   92.200   10.114  206.728   9.7140  180.180   10.388 26.54810 14.22250 
1 1 1   -3    1   69 f  239.115   6.4379  162.409   8.3175  164.916   11.865  159.987   11.663  240.917   9.1139  237.313   9.0952 3.603653 12.87579 
1 1 1   -3    1   70 o  141.384   8.7051   59.743   6.6275   54.559   9.3763   64.919   9.3689  134.598   12.892  148.171   11.701 -13.57278 17.41029 
1 1 1   -3    2    1 o  1006.17   12.066  2737.52   65.592  2772.07   93.911  2704.60   91.652  1012.36   17.167  999.977   16.961 12.38300 24.13282 
1 1 1   -3    2    3 o  1485.39   17.633  5978.48  141.532  5972.96  199.963  5984.03  200.350  1484.70   24.924  1486.07   24.950 -1.371704 35.26608 
1 1 1   -3    2    4 o  737.084   8.9675  1469.01   35.716  1463.94   50.333  1474.15   50.690  735.804   12.659  738.363   12.705 -2.559448 17.93501 
1 1 1   -3    2    5 o  754.646   9.1675  1539.58   37.380  1552.20   53.306  1527.37   52.432  757.686   13.020  751.606   12.910 6.079346 18.33503 
1 1 1   -3    2    6 o  1213.26   14.457  3979.02   94.697  4078.87  137.406  3888.69  130.690  1227.71   20.712  1198.80   20.175 28.91541 28.91381 
1 1 1   -3    2    7 o  1421.96   16.896  5464.55  129.637  5304.88  177.630  5646.50  189.625  1399.83   23.483  1444.10   24.300 -44.26746 33.79274 
1 1 1   -3    2    8 o  463.029   5.9351  579.416   14.850  577.118   20.928  581.746   21.074  462.105   8.3812  463.954   8.4057 -1.848846 11.87019 
1 1 1   -3    2    9 o  422.703   5.5162  482.003   12.584  466.062   17.275  500.023   18.367  415.272   7.6985  430.133   7.9022 -14.86111 11.03231 
1 1 1   -3    2   10 o  700.239   8.5662  1325.23   32.404  1306.44   45.190  1345.11   46.491  695.136   12.031  705.343   12.198 -10.20697 17.13246 
1 1 1   -3    2   11 o  1777.24   21.074  8563.35  202.368  8635.11  288.753  8494.07  283.697  1784.52   29.944  1769.95   29.662 14.57397 42.14881 
1 1 1   -3    2   12 o  754.149   9.1846  1537.17   37.420  1517.91   52.263  1557.42   53.603  749.307   12.908  758.992   13.070 -9.685059 18.36913 
1 1 1   -3    2   13 o  527.174   6.6609  750.949   18.971  759.859   27.136  742.429   26.534  530.232   9.4708  524.117   9.3688 6.114990 13.32183 
1 1 1   -3    2   14 o  1123.53   13.427  3415.37   81.517  3419.60  115.425  3411.17  115.140  1124.22   19.000  1122.83   18.977 1.384277 26.85385 
1 1 1   -3    2   15 o  897.029   10.823  2174.74   52.429  2221.18   75.736  2132.02   72.653  906.206   15.466  887.852   15.143 18.35394 21.64558 
1 1 1   -3    2   16 o  661.441   8.1629  1181.27   29.145  1150.10   40.123  1216.08   42.407  652.225   11.384  670.658   11.702 -18.43359 16.32573 
1 1 1   -3    2   17 o  471.216   6.1024  600.148   15.538  598.075   21.901  602.248   22.049  470.397   8.6160  472.034   8.6441 -1.637604 12.20475 
1 1 1   -3    2   18 o  854.441   10.348  1975.19   47.775  1971.26   67.410  1979.16   67.721  853.588   14.615  855.294   14.653 -1.705811 20.69510 
1 1 1   -3    2   19 o  616.179   7.6804  1026.56   25.565  1012.29   35.645  1041.68   36.687  611.775   10.782  620.583   10.940 -8.807739 15.36072 
1 1 1   -3    2   20 o  319.217   4.6476  275.347   8.0151  270.977   11.195  279.944   11.481  316.620   6.5431  321.814   6.6022 -5.194580 9.295192 
1 1 1   -3    2   21 o  682.839   8.4312  1261.68   31.107  1252.55   43.676  1271.07   44.316  680.338   11.880  685.339   11.967 -5.001648 16.86233 
1 1 1   -3    2   22 f  421.715   5.6368  480.844   12.845  477.461   18.087  484.287   18.245  420.219   7.9652  423.211   7.9780 -2.992645 11.27359 
1 1 1   -3    2   23 o  375.938   5.2052  381.978   10.572  387.798   15.155  376.462   14.753  378.724   7.4055  373.151   7.3168 5.573273 10.41044 
1 1 1   -3    2   24 o  356.459   5.0394  343.522   9.7065  340.846   13.665  346.248   13.790  355.058   7.1223  357.861   7.1311 -2.802185 10.07872 
1 1 1   -3    2   25 o  259.615   5.2046  181.408   6.9241  184.887   11.905  179.629   8.5118  261.455   8.4267  257.774   6.1107 3.680939 10.40914 
1 1 1   -3    2   26 o  723.164   17.816  1419.14   69.620  1419.14   69.620   0.0000   0.0000  723.164   17.816  ?   ?       ?      ? 
1 1 1   -3    2   28 o  613.046   10.951  1018.35   36.276  1019.14   51.457  1017.57   51.148  613.279   15.528  612.813   15.446 0.4652100 21.90150 
1 1 1   -3    2   29 o  388.486   5.4475  408.002   11.435  409.693   16.268  406.350   16.076  389.281   7.7338  387.691   7.6739 1.589478 10.89498 
1 1 1   -3    2   30 o  1100.38   13.241  3282.84   78.730  3299.47  111.922  3266.55  110.768  1103.13   18.776  1097.63   18.675 5.495361 26.48217 
1 1 1   -3    2   31 o  218.010   4.4350  128.474   5.2241  126.601   7.4048  130.329   7.3711  216.427   6.3316  219.593   6.2119 -3.165512 8.870059 
1 1 1   -3    2   32 o  930.356   11.281  2343.27   56.711  2336.04   79.978  2350.58   80.425  928.916   15.933  931.797   15.973 -2.881775 22.56116 
1 1 1   -3    2   33 f  530.460   6.8805  760.507   19.715  772.505   28.342  749.259   27.443  534.509   9.8128  526.412   9.6475 8.096863 13.76102 
1 1 1   -3    2   34 o  368.814   5.3977  367.564   10.755  360.203   15.038  375.272   15.388  365.035   7.6238  372.593   7.6431 -7.557251 10.79540 
1 1 1   -3    2   35 o  441.334   6.0701  526.445   14.473  533.775   20.720  519.461   20.225  444.332   8.6298  438.337   8.5389 5.995361 12.14028 
1 1 1   -3    2   36 o  252.917   4.9013  172.667   6.6939  165.508   9.2713  180.463   9.6750  247.448   6.9337  258.386   6.9294 -10.93773 9.802676 
1 1 1   -3    2   37 o  621.053   7.9063  1043.33   26.530  1032.78   37.199  1054.25   37.849  617.862   11.142  624.244   11.220 -6.382385 15.81252 
1 1 1   -3    2   38 o  519.305   6.8991  729.265   19.356  719.224   27.066  739.776   27.693  515.650   9.7137  522.960   9.7996 -7.310181 13.79814 
1 1 1   -3    2   39 o  117.037   7.8461   37.150   4.8986   45.156   7.0721   29.766   6.7918  129.201   10.130  104.873   11.985 24.32862 15.69230 
1 1 1   -3    2   40 o  183.344   5.9643   90.939   5.9063   89.644   8.4432   92.181   8.2653  182.061   8.5822  184.626   8.2847 -2.564575 11.92860 
1 1 1   -3    2   41 o  605.894   7.8489  991.608   25.661  1028.52   37.519  959.164   35.176  616.453   11.263  595.336   10.934 21.11707 15.69776 
1 1 1   -3    2   42 o  672.233   8.5323  1223.15   30.980  1247.31   44.634  1200.69   43.033  678.621   12.172  665.845   11.960 12.77618 17.06462 
1 1 1   -3    2   43 o  698.824   8.8227  1322.93   33.312  1309.02   46.668  1337.39   47.566  695.086   12.425  702.562   12.529 -7.475037 17.64537 
1 1 1   -3    2   44 o  1232.92   14.918  4145.90   99.362  4198.76  142.454  4095.82  138.660  1240.48   21.252  1225.35   20.941 15.12561 29.83582 
1 1 1   -3    2   45 o  162.387   6.8458   71.742   5.9387   58.618   8.3035   85.486   8.4970  147.082   10.448  177.692   8.8493 -30.61029 13.69164 
1 1 1   -3    2   46 o  402.457   6.0748  437.749   13.196  455.551   19.227  421.894   18.145  410.170   8.6750  394.743   8.5064 15.42615 12.14966 
1 1 1   -3    2   47 o  766.923   11.802  1604.88   46.115  1604.84   56.514  1604.95   79.778  768.170   13.615  765.675   19.282 2.494873 23.60398 
1 1 1   -3    2   48 o  259.230   6.8843  181.614   9.0762  184.302   15.825  180.296   11.080  260.481   11.243  257.978   7.9478 2.502228 13.76862 
1 1 1   -3    2   49 o  445.009   7.8934  542.495   17.915  525.450   30.685  551.311   22.067  439.203   12.929  450.815   9.0585 -11.61124 15.78677 
1 1 1   -3    2   50 o  507.651   8.4973  699.937   21.901  709.685   38.287  695.196   26.700  509.518   13.906  505.784   9.7694 3.733826 16.99458 
1 1 1   -3    2   51 o   38.908   12.547  -5.2231   5.5899  -6.6338   6.9969  -2.7342   9.2939   33.477   15.638   44.339   19.625 -10.86149 25.09339 
1 1 1   -3    2   52 o  336.319   6.8749  311.290   11.949  320.345   14.987  295.496   19.795  343.480   8.0749  329.157   11.129 14.32346 13.74988 
1 1 1   -3    2   53 o  336.595   5.6874  306.191   10.312  330.102   15.349  286.521   13.921  348.478   8.1510  324.713   7.9340 23.76581 11.37487 
1 1 1   -3    2   54 o  267.156   7.6862  194.973   11.091  200.270   15.976  190.045   15.410  270.640   10.924  263.671   10.815 6.968628 15.37239 
1 1 1   -3    2   55 o  253.494   11.461  176.284   15.700  176.284   15.700   0.0000   0.0000  253.494   11.461  ?   ?       ?      ? 
1 1 1   -3    2   56 o   66.133   15.739   9.9130   7.5144   20.581   10.748  -0.2887   10.510   82.953   23.115   49.312   21.368 33.64170 31.47822 
1 1 1   -3    2   57 o  227.447   8.2715  142.643   10.159  142.725   14.650  142.568   14.099  227.421   11.921  227.472   11.470 -0.5101013E-01 16.54305 
1 1 1   -3    2   58 o  180.000   6.2220   88.700   6.0445   89.755   8.7895   87.754   8.3259  180.962   8.9885  179.039   8.6059 1.922638 12.44407 
1 1 1   -3    2   59 o  177.378   6.5438   86.559   6.2456   76.904   8.7710   96.489   8.8955  167.182   9.7090  187.574   8.7763 -20.39195 13.08768 
1 1 1   -3    2   60 o   66.634   12.885   12.853   5.0251   19.285   7.3842   7.3056   6.8581   80.435   17.488   52.833   18.929 27.60202 25.77045 
1 1 1   -3    2   61 o  132.085   7.7099   48.453   5.4879   49.016   8.0818   47.971   7.4758  132.669   11.273  131.500   10.521 1.168655 15.41982 
1 1 1   -3    2   62 o   76.951   12.728   17.867   5.2269   21.820   7.6623   14.426   7.1483   85.242   17.227   68.660   18.742 16.58136 25.45675 
1 1 1   -3    2   63 o  134.684   7.9094   51.148   5.7171   45.833   8.2388   56.084   7.9399  127.550   11.953  141.818   10.361 -14.26871 15.81880 
1 1 1   -3    2   64 o   69.646   13.913   15.191   5.4843   13.841   7.8325   16.488   7.6817   66.617   20.089   72.676   19.253 -6.059494 27.82519 
1 1 1   -3    2   65 o  125.441   8.8853   44.470   5.9952   49.666   9.0044   40.332   8.0351  131.930   12.631  118.953   12.500 12.97670 17.77066 
1 1 1   -3    2   66 o   74.303   13.928   18.120   5.7110   16.093   8.1377   20.088   8.0168   69.778   20.336   78.827   19.036 -9.048317 27.85543 
1 1 1   -3    2   67 f   75.799   12.344   17.000   5.9863   33.184   8.7852   2.9728   8.1791  105.781   15.369   45.817   19.320 59.96325 24.68742 
1 1 1   -3    2   68 o  122.052   9.8700   44.102   6.5066   45.356   9.3758   42.937   9.0371  123.669   14.030  120.436   13.886 3.232552 19.74006 
1 1 1   -3    2   69 o   96.798   12.280   30.395   6.2159   26.564   8.9882   33.908   8.6055   88.625   19.314  104.972   15.171 -16.34765 24.55998 
1 1 1   -3    2   70 o   90.466   12.933   27.601   6.2084   32.610   8.9363   22.928   8.6316  100.716   16.420   80.217   19.986 20.49920 25.86633 
1 1 1   -3    3    1 o  1029.41   12.345  2867.17   68.671  2866.03   97.130  2868.31   97.102  1029.20   17.465  1029.61   17.453 -0.4094238 24.69055 
1 1 1   -3    3    2 o  192.559   3.4294  100.195   3.5682   99.846   5.0662  100.538   5.0265  192.227   4.8773  192.892   4.8224 -0.6651154 6.858858 
1 1 1   -3    3    3 o  934.307   11.232  2360.85   56.707  2369.96   80.547  2351.90   79.850  936.092   15.924  932.523   15.846 3.569275 22.46487 
1 1 1   -3    3    4 o  301.578   4.3185  245.257   7.0287  255.751   10.260  235.977   9.6485  307.644   6.1717  295.513   6.0422 12.13150 8.636994 
1 1 1   -3    3    5 o  1405.22   16.693  5341.38  126.671  5460.50  183.255  5232.38  175.290  1420.18   23.879  1390.26   23.333 29.91711 33.38657 
1 1 1   -3    3    6 o  718.584   8.7744  1395.51   34.063  1377.44   47.567  1414.53   48.801  713.813   12.332  723.355   12.485 -9.541870 17.54872 
1 1 1   -3    3    7 f  834.962   10.101  1885.08   45.570  1898.31   64.910  1872.22   63.992  837.848   14.337  832.077   14.232 5.770508 20.20157 
1 1 1   -3    3    8 o  476.847   6.1040  614.548   15.728  611.923   22.162  617.212   22.325  475.821   8.6192  477.872   8.6455 -2.051422 12.20801 
1 1 1   -3    3    9 o  579.143   7.2223  906.650   22.602  908.234   32.014  905.076   31.914  579.647   10.221  578.639   10.207 1.008057 14.44451 
1 1 1   -3    3   10 o  1026.42   12.301  2849.14   68.209  2812.23   95.201  2888.08   97.775  1019.60   17.279  1033.24   17.512 -13.64142 24.60170 
1 1 1   -3    3   11 o  1134.55   13.553  3482.17   83.081  3510.80  118.480  3454.47  116.532  1139.13   19.248  1129.97   19.085 9.162598 27.10569 
1 1 1   -3    3   12 o  968.774   11.638  2538.24   60.922  2539.34   86.220  2537.14   86.095  968.983   16.467  968.564   16.450 0.4188843 23.27541 
1 1 1   -3    3   13 o  1132.39   13.530  3468.37   82.767  3514.64  118.676  3424.55  115.488  1139.73   19.270  1125.05   18.997 14.67883 27.05908 
1 1 1   -3    3   14 o  226.470   5.4286  138.591   6.6434  138.591   6.6434   0.0000   0.0000  226.470   5.4286  ?   ?       ?      ? 
1 1 1   -3    3   15 o  400.321   5.3645  432.635   11.596  421.207   16.032  445.173   16.793  394.784   7.5154  405.858   7.6571 -11.07391 10.72908 
1 1 1   -3    3   16 o  776.959   9.4712  1632.00   39.754  1610.87   55.484  1654.30   56.989  771.797   13.304  782.122   13.484 -10.32434 18.94247 
1 1 1   -3    3   17 o  1194.74   14.285  3865.14   92.216  3840.07  129.462  3890.96  131.386  1190.82   20.119  1198.66   20.285 -7.842041 28.56989 
1 1 1   -3    3   18 o   57.480   5.9819   8.9333   1.8574   8.8501   2.6527   9.0133   2.6016   57.217   8.5799   57.743   8.3377 -0.5262909 11.96379 
1 1 1   -3    3   19 o  636.263   7.9117  1094.80   27.194  1079.77   37.925  1110.71   39.015  631.775   11.109  640.752   11.268 -8.976624 15.82338 
1 1 1   -3    3   20 o  580.937   7.3069  912.880   22.938  915.766   32.544  910.032   32.334  581.848   10.351  580.026   10.316 1.822144 14.61387 
1 1 1   -3    3   21 o  309.187   4.5974  258.414   7.6810  257.379   10.871  259.445   10.854  308.568   6.5198  309.805   6.4836 -1.236786 9.194801 
1 1 1   -3    3   22 o  401.074   5.4456  434.562   11.795  445.096   17.047  424.889   16.336  405.730   7.7756  396.419   7.6261 9.311554 10.89118 
1 1 1   -3    3   23 o  465.556   6.1063  586.102   15.361  580.308   21.575  592.058   21.875  463.224   8.6193  467.888   8.6519 -4.664459 12.21261 
1 1 1   -3    3   24 o  749.053   11.233  1528.36   43.209  1498.65   73.236  1544.22   53.515  743.019   18.240  755.088   13.116 -12.06891 22.46636 
1 1 1   -3    3   25 o  552.152   9.9139  825.807   29.571  814.865   41.240  837.387   42.426  548.401   13.917  555.904   14.123 -7.503540 19.82783 
1 1 1   -3    3   26 o  263.858   8.5406  188.288   12.177  188.288   12.177   0.0000   0.0000  263.858   8.5406  ?   ?       ?      ? 
1 1 1   -3    3   27 o  259.193   6.4156  180.429   8.9474  195.540   13.433  168.378   11.996  268.874   9.2456  249.512   8.8971 19.36203 12.83114 
1 1 1   -3    3   28 o  224.424   6.2743  136.226   7.6047  135.518   10.921  136.892   10.595  223.855   9.0287  224.994   8.7148 -1.139038 12.54852 
1 1 1   -3    3   29 o  790.526   9.6956  1691.64   41.415  1701.69   58.944  1681.85   58.201  792.838   13.758  788.213   13.665 4.624756 19.39120 
1 1 1   -3    3   30 o  737.889   9.1074  1473.40   36.312  1481.23   51.649  1465.74   51.063  739.825   12.919  735.953   12.840 3.871765 18.21478 
1 1 1   -3    3   31 o  304.759   4.8408  251.037   7.9716  248.096   11.248  254.006   11.299  302.965   6.8706  306.553   6.8211 -3.588043 9.681584 
1 1 1   -3    3   32 o  830.099   10.153  1864.70   45.542  1867.81   64.585  1861.63   64.229  830.784   14.386  829.414   14.331 1.369873 20.30619 
1 1 1   -3    3   33 o  374.059   5.4097  378.088   10.933  370.569   15.289  385.954   15.639  370.255   7.6419  377.863   7.6591 -7.607880 10.81945 
1 1 1   -3    3   34 o  973.473   11.791  2566.51   62.023  2553.69   87.322  2579.56   88.110  971.025   16.642  975.922   16.708 -4.896606 23.58192 
1 1 1   -3    3   35 o  268.773   4.8833  195.261   7.0916  195.157   10.101  195.362   9.9581  268.702   6.9571  268.844   6.8547 -0.1428223 9.766665 
1 1 1   -3    3   36 o  395.926   5.7245  423.736   12.246  427.547   17.475  420.059   17.166  397.674   8.1319  394.178   8.0593 3.495605 11.44908 
1 1 1   -3    3   37 o  457.619   6.3026  566.165   15.583  557.958   21.826  574.699   22.257  454.238   8.8919  461.000   8.9346 -6.762115 12.60526 
1 1 1   -3    3   38 o  464.749   6.3905  583.899   16.045  572.329   22.396  596.098   22.998  460.023   9.0096  469.475   9.0654 -9.452332 12.78107 
1 1 1   -3    3   39 o  353.689   5.6018  338.236   10.706  339.566   15.186  336.922   15.096  354.380   7.9301  352.999   7.9141 1.381409 11.20357 
1 1 1   -3    3   40 o  1316.34   15.822  4713.30  112.541  4690.99  158.404  4736.04  159.920  1313.21   22.323  1319.46   22.429 -6.247437 31.64449 
1 1 1   -3    3   41 o  914.671   11.216  2266.08   55.392  2320.40   80.313  2216.79   76.499  925.074   16.066  904.268   15.656 20.80627 22.43282 
1 1 1   -3    3   42 o  741.483   9.2827  1489.58   37.187  1505.88   53.172  1473.99   52.027  745.438   13.200  737.527   13.055 7.910461 18.56538 
1 1 1   -3    3   43 o  672.291   8.5425  1224.29   31.031  1214.62   43.569  1234.23   44.208  669.604   12.041  674.977   12.121 -5.372253 17.08507 
1 1 1   -3    3   44 o  380.587   5.9341  391.244   12.188  406.426   17.793  377.822   16.730  387.522   8.4969  373.652   8.2860 13.86990 11.86823 
1 1 1   -3    3   45 o  191.049   6.1911   98.811   6.3837   98.972   9.2617   98.665   8.8111  191.188   8.9648  190.910   8.5411 0.2782135 12.38215 
1 1 1   -3    3   46 o  463.661   8.0028  583.921   18.995  585.742   23.403  580.405   32.518  465.008   9.3136  462.314   13.017 2.694092 16.00558 
1 1 1   -3    3   47 o  660.224   8.4638  1183.96   30.195  1184.54   42.766  1183.39   42.640  660.381   11.984  660.068   11.955 0.3133545 16.92754 
1 1 1   -3    3   48 o  416.097   7.6101  470.958   16.012  467.793   28.078  472.483   19.492  414.689   12.530  417.505   8.6399 -2.815735 15.22013 
1 1 1   -3    3   49 o  441.839   6.3389  529.470   15.131  535.559   21.665  523.672   21.142  444.306   9.0239  439.371   8.9048 4.934570 12.67776 
1 1 1   -3    3   50 o  198.303   6.0629  105.854   6.4579  114.604   9.8048   99.149   8.5824  205.454   8.8316  191.152   8.3089 14.30183 12.12575 
1 1 1   -3    3   51 o  252.109   10.896  173.063   14.844  173.063   14.844   0.0000   0.0000  252.109   10.896  ?   ?       ?      ? 
1 1 1   -3    3   52 o  302.199   6.7024  248.314   10.438  247.893   12.942  249.099   17.656  302.153   7.9263  302.245   10.810 -0.9231567E-01 13.40488 
1 1 1   -3    3   53 o  250.944   7.7528  171.815   10.505  166.014   14.513  178.198   15.224  246.518   10.895  255.369   11.033 -8.850876 15.50557 
1 1 1   -3    3   54 o  279.520   7.6353  213.268   11.523  203.266   15.942  224.212   16.675  272.661   10.820  286.379   10.776 -13.71808 15.27063 
1 1 1   -3    3   55 o   44.272   18.379   1.7373   7.2294   1.7373   7.2294   0.0000   0.0000   44.272   18.379  ?   ?       ?      ? 
1 1 1   -3    3   56 o  321.146   8.1498  283.647   14.124  286.261   20.548  281.306   19.447  322.411   11.794  319.881   11.250 2.530121 16.29957 
1 1 1   -3    3   57 o   63.205   15.667   8.7815   7.2701   17.973   10.489   0.2827   10.086   77.578   23.214   48.832   21.046 28.74604 31.33375 
1 1 1   -3    3   58 o  267.018   5.6303  194.509   8.1151  202.396   11.816  187.467   11.164  272.103   8.0364  261.932   7.8878 10.17166 11.26061 
1 1 1   -3    3   59 o  290.246   5.6455  230.557   8.8520  225.235   12.544  235.835   12.493  286.859   8.0925  293.633   7.8738 -6.773926 11.29090 
1 1 1   -3    3   60 o  207.953   5.9292  118.705   6.6568  112.501   9.3797  125.000   9.4489  202.404   8.5759  213.502   8.1901 -11.09892 11.85850 
1 1 1   -3    3   61 o  132.221   7.7684   48.767   5.5261   47.022   8.1105   50.279   7.5498  129.801   11.563  134.640   10.377 -4.838821 15.53675 
1 1 1   -3    3   62 o  261.244   5.7306  187.695   8.0854  188.982   11.642  186.496   11.237  262.040   8.2222  260.447   7.9847 1.593414 11.46122 
1 1 1   -3    3   63 o   88.705   11.816   23.428   5.4373   25.933   8.1253   21.396   7.3170   93.030   16.781   84.379   16.639 8.650780 23.63134 
1 1 1   -3    3   64 o   86.700   11.963   22.380   5.4858   26.480   8.0495   18.823   7.4962   95.307   15.630   78.093   18.115 17.21478 23.92585 
1 1 1   -3    3   65 o   76.734   13.607   18.577   5.6257   19.441   8.1952   17.808   7.7366   78.334   19.450   75.133   19.034 3.200699 27.21387 
1 1 1   -3    3   66 o  158.033   7.5993   70.974   6.4852   70.886   9.3338   71.056   9.0174  157.793   10.947  158.274   10.543 -0.4807739 15.19851 
1 1 1   -3    3   67 o   41.009   18.468  -1.7107   8.6137  -1.7107   8.6137   0.0000   0.0000   41.009   18.468  ?   ?       ?      ? 
1 1 1   -3    3   68 o   76.665   14.285   20.117   5.9861   19.771   8.9651   20.396   8.0413   75.256   21.161   78.075   19.195 -2.819229 28.57010 
1 1 1   -3    3   69 o   59.465   14.485   11.987   5.8584   7.9273   8.5791   15.534   8.0194   52.159   20.600   66.772   20.370 -14.61266 28.97062 
1 1 1   -3    3   70 f   86.929   13.796   26.910   6.3318   23.476   9.3227   29.850   8.6268   79.459   21.285   94.398   17.558 -14.93906 27.59232 
1 1 1   -3    4    2 o  848.800   10.274  1947.62   47.115  1969.19   67.418  1927.03   65.870  853.389   14.620  844.212   14.439 9.177185 20.54824 
1 1 1   -3    4    3 o  403.896   5.3665  440.843   11.712  439.193   16.528  442.507   16.600  403.137   7.5870  404.655   7.5918 -1.517792 10.73304 
1 1 1   -3    4    4 f  772.517   9.4100  1613.40   39.279  1625.15   55.908  1601.94   55.196  775.293   13.345  769.740   13.270 5.552795 18.81991 
1 1 1   -3    4    5 o  814.150   9.8821  1791.73   43.462  1817.83   62.395  1767.13   60.575  819.902   14.083  808.397   13.867 11.50476 19.76429 
1 1 1   -3    4    6 o  756.278   9.2172  1546.26   37.662  1562.29   53.820  1530.88   52.722  760.115   13.103  752.442   12.967 7.672974 18.43446 
1 1 1   -3    4    7 f  844.723   10.232  1929.83   46.707  1932.97   66.170  1926.71   65.938  845.407   14.485  844.038   14.457 1.368835 20.46494 
1 1 1   -3    4    8 o  878.811   10.615  2088.69   50.405  2097.17   71.602  2080.37   70.968  880.576   15.048  877.046   14.975 3.530029 21.22905 
1 1 1   -3    4    9 o  912.029   10.995  2249.32   54.180  2233.88   76.079  2265.22   77.178  908.856   15.491  915.202   15.606 -6.345703 21.98909 
1 1 1   -3    4   10 o  961.592   11.562  2499.93   60.063  2466.36   83.801  2535.38   86.129  954.964   16.240  968.221   16.462 -13.25690 23.12422 
1 1 1   -3    4   11 o  465.140   6.0227  584.485   15.134  593.701   21.721  575.790   21.097  468.701   8.5761  461.579   8.4583 7.122253 12.04547 
1 1 1   -3    4   12 o  1294.58   15.424  4535.81  107.890  4498.60  151.296  4574.32  153.896  1289.19   21.718  1299.97   21.908 -10.78491 30.84867 
1 1 1   -3    4   13 o  1541.25   18.315  6435.25  152.512  6495.56  217.916  6377.34  213.519  1548.31   26.046  1534.20   25.755 14.10559 36.62981 
1 1 1   -3    4   14 o  700.815   8.6103  1327.82   32.605  1318.59   45.808  1337.29   46.418  698.350   12.139  703.281   12.214 -4.930725 17.22050 
1 1 1   -3    4   15 o  633.633   7.8675  1085.03   26.930  1068.80   37.545  1102.23   38.648  628.758   11.050  638.508   11.202 -9.750122 15.73490 
1 1 1   -3    4   16 o  591.388   7.4116  944.947   23.675  927.505   32.905  963.668   34.090  585.737   10.396  597.040   10.567 -11.30359 14.82330 
1 1 1   -3    4   17 o  1038.31   12.482  2918.95   70.031  2907.89   98.625  2930.21   99.457  1036.33   17.612  1040.29   17.693 -3.959229 24.96396 
1 1 1   -3    4   18 o  579.118   7.2862  906.439   22.790  888.321   31.638  925.981   32.857  573.112   10.216  585.124   10.392 -12.01221 14.57243 
1 1 1   -3    4   19 o  520.266   6.6567  731.541   18.706  716.915   25.983  747.277   26.952  514.875   9.3389  525.657   9.4885 -10.78174 13.31343 
1 1 1   -3    4   20 o  480.527   6.2473  624.297   16.220  616.972   22.721  631.910   23.162  477.655   8.8027  483.400   8.8673 -5.744965 12.49467 
1 1 1   -3    4   21 o  426.855   5.7109  492.340   13.166  502.487   18.992  482.951   18.268  431.083   8.1531  422.627   7.9991 8.456696 11.42190 
1 1 1   -3    4   22 o  438.826   5.8400  520.635   13.846  525.766   19.803  515.727   19.366  440.939   8.3113  436.714   8.2065 4.225128 11.68004 
1 1 1   -3    4   23 o  252.492   5.1040  173.356   6.6662  168.919   11.107  175.854   8.3340  249.926   8.2244  255.058   6.0468 -5.132309 10.20809 
1 1 1   -3    4   24 o  399.323   7.6463  431.203   16.491  442.793   23.797  420.496   22.873  404.476   10.888  394.170   10.739 10.30609 15.29261 
1 1 1   -3    4   25 o  321.181   6.6425  277.877   11.498  263.513   15.582  295.045   17.036  312.114   9.2392  330.247   9.5462 -18.13272 13.28502 
1 1 1   -3    4   26 o  319.386   7.0106  274.696   12.068  258.784   16.358  293.694   17.874  309.290   9.7878  329.481   10.040 -20.19101 14.02117 
1 1 1   -3    4   27 o  192.298   6.3186   99.955   6.5639  102.342   9.4198   97.703   9.1514  194.528   8.9614  190.068   8.9103 4.459457 12.63720 
1 1 1   -3    4   28 o  1150.08   19.648  3603.60  122.106  3599.10  172.567  3608.11  172.801  1149.36   27.785  1150.80   27.788 -1.436646 39.29616 
1 1 1   -3    4   29 o  1143.26   13.745  3545.05   84.912  3537.74  119.840  3552.41  120.330  1142.08   19.419  1144.44   19.458 -2.357056 27.48972 
1 1 1   -3    4   30 o  148.736   6.5734   59.795   5.2832   0.0000   0.0000   59.795   5.2832  ?   ?   148.736   6.5734      ?      ? 
1 1 1   -3    4   31 o  754.932   9.3098  1542.02   37.978  1539.14   53.639  1544.90   53.779  754.227   13.161  755.636   13.171 -1.408875 18.61957 
1 1 1   -3    4   32 f  150.562   4.8938   61.007   3.9716   65.018   5.8758   57.633   5.3890  155.098   7.0109  146.026   6.8296 9.071838 9.787549 
1 1 1   -3    4   33 o  181.479   4.8291   88.977   4.7345   91.154   6.7850   86.910   6.6097  183.643   6.8373  179.316   6.8214 4.326553 9.658174 
1 1 1   -3    4   34 f  651.229   8.1971  1147.00   28.841  1157.76   41.229  1136.69   40.360  654.215   11.663  648.244   11.522 5.971313 16.39419 
1 1 1   -3    4   35 o  878.571   10.726  2089.80   50.921  2090.66   72.073  2088.94   71.954  878.750   15.178  878.391   15.159 0.3590698 21.45181 
1 1 1   -3    4   36 o  697.524   8.7337  1315.64   32.903  1289.23   45.670  1344.13   47.443  690.263   12.244  704.786   12.457 -14.52338 17.46737 
1 1 1   -3    4   37 o  196.827   5.3399  104.749   5.6786  106.858   8.0345  102.645   8.0270  198.808   7.4789  194.847   7.6238 3.960983 10.67977 
1 1 1   -3    4   38 o  538.778   7.1207  785.047   20.728  774.429   28.995  796.146   29.643  535.055   10.028  542.500   10.112 -7.444885 14.24147 
1 1 1   -3    4   39 o  532.030   7.0910  765.632   20.385  758.292   28.625  773.185   29.036  529.445   10.005  534.615   10.051 -5.170715 14.18207 
1 1 1   -3    4   40 o  1355.56   16.293  4999.54  119.315  4937.19  166.541  5065.28  171.022  1346.95   22.881  1364.17   23.200 -17.22339 32.58553 
1 1 1   -3    4   41 o  673.967   8.5634  1229.85   31.187  1225.56   44.059  1234.16   44.150  672.788   12.119  675.146   12.102 -2.357971 17.12671 
1 1 1   -3    4   42 o  536.506   7.2078  778.439   20.882  797.271   30.220  761.232   28.887  542.699   10.305  530.313   10.080 12.38586 14.41564 
1 1 1   -3    4   44 o  309.464   5.6445  259.100   9.4350  261.138   13.562  257.188   13.134  310.638   8.0794  308.291   7.8843 2.346466 11.28890 
1 1 1   -3    4   45 o  278.034   6.8805  209.471   9.7668  209.614   11.991  209.189   16.834  278.293   7.9740  277.775   11.215 0.5183105 13.76108 
1 1 1   -3    4   46 o  350.949   7.1451  323.750   12.595  307.731   15.060  361.036   22.976  337.125   8.2667  364.772   11.656 -27.64725 14.29019 
1 1 1   -3    4   47 o  307.580   7.0086  253.423   10.716  264.640   19.633  248.663   12.789  312.146   11.639  303.014   7.8107 9.131958 14.01723 
1 1 1   -3    4   48 o  371.623   5.8850  374.335   11.817  369.795   16.764  378.819   16.659  369.372   8.3989  373.873   8.2458 -4.500793 11.77008 
1 1 1   -3    4   49 o  392.675   5.9798  417.866   12.681  427.272   18.319  409.211   17.572  396.900   8.5413  388.450   8.3713 8.449829 11.95961 
1 1 1   -3    4   50 o  232.741   5.6274  146.860   7.0739  149.613   10.196  144.305   9.8224  234.834   8.0350  230.648   7.8809 4.185883 11.25481 
1 1 1   -3    4   51 o   57.977   13.479   3.4273   5.4623   18.773   9.6618  -3.7812   6.6221   80.690   21.691   35.264   16.007 45.42585 26.95779 
1 1 1   -3    4   52 o   85.898   12.979   20.391   5.5939   24.077   9.7022   18.556   6.8464   91.182   20.221   80.615   16.277 10.56658 25.95856 
1 1 1   -3    4   53 o  282.463   7.5794  217.853   11.567  221.622   16.553  214.257   16.169  284.840   10.755  280.087   10.683 4.752625 15.15888 
1 1 1   -3    4   54 o  425.063   8.7874  496.034   20.181  494.595   28.304  497.522   28.784  424.483   12.339  425.642   12.514 -1.159149 17.57478 
1 1 1   -3    4   55 o  225.583   7.0095  137.998   8.1733  135.143   10.127  143.333   13.844  222.652   8.4168  228.515   11.211 -5.862442 14.01897 
1 1 1   -3    4   56 o  256.358   8.1621  181.207   11.285  174.167   16.261  187.748   15.673  251.368   11.972  261.349   11.098 -9.980713 16.32427 
1 1 1   -3    4   57 o  223.322   8.4454  137.228   10.154  144.279   15.156  131.486   13.677  228.363   12.282  218.282   11.595 10.08073 16.89079 
1 1 1   -3    4   58 o  142.123   7.3414   55.652   5.6316   55.888   8.1691   55.439   7.7740  142.345   10.620  141.900   10.139 0.4446716 14.68278 
1 1 1   -3    4   59 f   73.108   12.728   16.099   5.1095   11.325   7.2771   20.740   7.1758   62.158   19.479   84.059   16.387 -21.90099 25.45516 
1 1 1   -3    4   60 o  143.744   7.3315   57.311   5.6795   53.425   8.1141   61.043   7.9524  138.805   10.818  148.683   9.8981 -9.878143 14.66292 
1 1 1   -3    4   61 o  259.897   5.7477  184.985   8.0585  195.547   11.821  175.816   11.014  266.768   8.2005  253.026   8.0557 13.74252 11.49533 
1 1 1   -3    4   62 o   81.937   12.277   20.088   5.2453   22.429   7.8929   18.237   7.0196   86.186   17.544   77.689   17.178 8.496971 24.55347 
1 1 1   -3    4   63 o   51.051   13.756   6.3384   5.2562   6.2703   7.6842   6.3983   7.2057   51.286   19.712   50.815   19.193 0.4707336 27.51212 
1 1 1   -3    4   64 o  159.925   7.3112   72.518   6.2272   62.185   9.1137   81.568   8.5285  148.525   11.356  171.325   9.2122 -22.80081 14.62239 
1 1 1   -3    4   65 o  135.451   8.5758   52.110   6.2426   53.307   9.3662   51.154   8.3737  136.517   12.697  134.385   11.531 2.132050 17.15152 
1 1 1   -3    4   66 o  110.916   10.694   37.556   6.0664   29.238   8.7580   45.227   8.4109   96.723   17.396  125.110   12.441 -28.38660 21.38729 
1 1 1   -3    4   67 o  345.756   6.2404  333.279   11.657  330.076   16.612  336.386   16.360  343.983   8.9373  347.529   8.7119 -3.545044 12.48085 
1 1 1   -3    4   68 o   41.878   12.681  -2.7551   5.7584   9.7143   8.7050 -12.4573   7.6785   54.793   20.999   28.964   14.223 25.82900 25.36235 
1 1 1   -3    4   69 o  115.462   10.153   40.182   6.2982   41.353   9.4641   39.251   8.4380  116.363   15.051  114.561   13.631 1.802498 20.30615 
1 1 1   -3    4   70 o   77.105   13.327   21.613   6.1359   11.457   8.8834   30.880   8.4853   56.254   21.295   97.955   16.031 -41.70121 26.65467 
1 1 1   -3    5    4 o  663.720   11.596  1190.99   41.589   0.0000   0.0000  1190.99   41.589  ?   ?   663.720   11.596      ?      ? 
1 1 1   -3    5    7 o  848.390   10.286  1946.30   47.156  1949.19   66.785  1943.43   66.592  849.018   14.557  847.762   14.536 1.256165 20.57228 
1 1 1   -3    5    8 o  779.224   9.4958  1641.07   39.973  1664.40   57.348  1619.03   55.746  784.604   13.526  773.844   13.331 10.75995 18.99166 
1 1 1   -3    5    9 o  1258.55   15.025  4286.35  102.176  4312.12  145.286  4261.13  143.723  1262.28   21.300  1254.81   21.196 7.474487 30.04954 
1 1 1   -3    5   10 o  981.719   11.808  2605.98   62.627  2638.25   89.681  2575.26   87.495  987.643   16.804  975.794   16.593 11.84894 23.61600 
1 1 1   -3    5   11 o  1281.45   15.272  4444.28  105.742  4481.51  150.893  4408.36  148.227  1286.71   21.702  1276.19   21.494 10.52173 30.54475 
1 1 1   -3    5   12 o  540.382   6.8573  789.036   20.019  777.728   27.950  800.948   28.687  536.409   9.6427  544.355   9.7524 -7.946167 13.71461 
1 1 1   -3    5   13 o  551.357   6.9768  821.301   20.779  806.653   28.914  836.946   29.881  546.277   9.7950  556.436   9.9378 -10.15936 13.95357 
1 1 1   -3    5   14 o  478.124   6.2091  617.779   16.040  610.373   22.484  625.454   22.890  475.207   8.7561  481.041   8.8058 -5.833893 12.41819 
1 1 1   -3    5   15 o  1148.77   13.753  3572.71   85.367  3556.00  120.149  3589.74  121.314  1146.06   19.401  1151.48   19.497 -5.412964 27.50512 
1 1 1   -3    5   16 o  967.759   11.667  2532.98   60.970  2480.65   84.403  2590.09   88.168  957.334   16.316  978.183   16.680 -20.84973 23.33317 
1 1 1   -3    5   17 o  794.553   9.7018  1707.27   41.626  1672.07   57.612  1745.72   60.211  786.005   13.564  803.100   13.875 -17.09430 19.40352 
1 1 1   -3    5   18 o  192.012   3.9210   99.508   4.0654  103.657   5.8821   95.713   5.6252  195.839   5.5583  188.185   5.5318 7.653687 7.841940 
1 1 1   -3    5   19 f  736.128   9.0484  1465.83   35.975  1438.71   49.949  1495.07   51.858  729.069   12.679  743.188   12.913 -14.11823 18.09676 
1 1 1   -3    5   20 o  381.931   5.2936  394.234   10.923  386.636   15.269  402.198   15.632  378.163   7.4722  385.698   7.5004 -7.534851 10.58718 
1 1 1   -3    5   21 o  271.094   4.3784  198.583   6.4114  201.192   9.2198  196.140   8.9218  272.816   6.2541  269.372   6.1293 3.444122 8.756832 
1 1 1   -3    5   22 o  327.619   5.8497  285.384   9.6750  303.829   17.311  277.005   11.667  335.138   9.5592  320.099   6.7452 15.03870 11.69939 
1 1 1   -3    5   23 o  649.266   11.411  1143.10   40.031  1152.25   57.064  1134.23   56.172  651.815   16.201  646.717   16.074 5.097351 22.82215 
1 1 1   -3    5   24 o  560.212   10.028  850.182   30.352  839.414   42.411  861.486   43.455  556.586   14.101  563.838   14.263 -7.251465 20.05665 
1 1 1   -3    5   25 o  802.690   12.177  1718.62   48.594  1675.22   57.915  1821.85   89.319  786.447   13.628  818.933   20.184 -32.48633 24.35404 
1 1 1   -3    5   26 f  685.676   12.142  1275.10   44.988  1270.49   63.509  1279.73   63.737  684.434   17.172  686.917   17.171 -2.482971 24.28413 
1 1 1   -3    5   27 o  123.512   7.7512   41.329   5.1654   40.000   7.4367   42.568   7.1800  121.586   11.319  125.439   10.593 -3.852951 15.50235 
1 1 1   -3    5   28 o  452.592   7.5027  560.470   17.442  533.108   29.313  575.469   21.703  443.855   12.222  461.329   8.7060 -17.47382 15.00539 
1 1 1   -3    5   29 o  226.193   4.4767  138.313   5.4702  134.557   7.7349  142.072   7.7372  223.119   6.4155  229.267   6.2453 -6.148041 8.953352 
1 1 1   -3    5   30 o  372.723   5.3691  375.541   10.813  372.065   15.292  379.018   15.293  370.997   7.6281  374.449   7.5580 -3.452423 10.73828 
1 1 1   -3    5   31 o  207.348   4.6234  116.259   5.1773  113.847   7.3969  118.575   7.2489  205.237   6.6697  209.458   6.4045 -4.221115 9.246753 
1 1 1   -3    5   32 o  244.450   4.7002  161.342   6.2015  150.741   8.6330  172.646   8.9141  236.160   6.7650  252.740   6.5270 -16.58025 9.400402 
1 1 1   -3    5   33 o  383.419   5.5421  396.881   11.472  409.366   16.663  385.630   15.818  389.142   7.9240  377.696   7.7504 11.44592 11.08416 
1 1 1   -3    5   34 f  929.587   11.303  2340.00   56.775  2340.45   80.365  2339.57   80.219  929.672   15.997  929.501   15.971 0.1713257 22.60527 
1 1 1   -3    5   35 o  340.650   5.3671  313.237   9.8722  300.834   13.655  326.821   14.290  333.595   7.5748  347.704   7.6056 -14.10934 10.73419 
1 1 1   -3    5   36 o  369.460   5.5910  369.046   11.162  369.011   15.843  369.080   15.728  369.442   7.9360  369.478   7.8776 -0.3643799E-01 11.18199 
1 1 1   -3    5   37 o  236.801   5.2558  151.264   6.7167  162.055   9.7468  141.505   9.2688  244.827   7.3674  228.775   7.4976 16.05135 10.51160 
1 1 1   -3    5   38 o  386.514   5.8444  403.963   12.206  403.651   17.308  404.272   17.217  386.364   8.2899  386.663   8.2404 -0.2989197 11.68875 
1 1 1   -3    5   39 o  659.740   8.4067  1177.25   29.952  1152.54   41.501  1204.10   43.272  652.533   11.770  666.946   12.007 -14.41278 16.81339 
1 1 1   -3    5   40 f  864.991   10.643  2027.45   49.740  2007.21   69.666  2048.49   71.040  860.601   14.981  869.381   15.122 -8.779907 21.28601 
1 1 1   -3    5   41 f  1126.55   13.636  3448.49   82.992  3409.68  116.040  3489.14  118.744  1120.09   19.172  1132.99   19.395 -12.89954 27.27152 
1 1 1   -3    5   43 f  456.823   9.1824  564.824   22.667   0.0000   0.0000  564.824   22.667  ?   ?   456.823   9.1824      ?      ? 
1 1 1   -3    5   44 o  386.916   7.3675  401.832   14.436  394.951   17.509  416.441   25.512  381.975   8.4827  391.856   12.048 -9.881378 14.73496 
1 1 1   -3    5   45 o  482.705   8.2483  632.045   20.293  632.189   24.872  631.757   35.098  483.097   9.5277  482.312   13.467 0.7847595 16.49655 
1 1 1   -3    5   46 o  481.552   8.3504  629.239   20.234  630.180   35.888  628.800   24.499  481.404   13.796  481.701   9.4120 -0.2971497 16.70072 
1 1 1   -3    5   47 o  212.151   7.3117  120.845   7.6643  125.338   14.168  118.986   9.1129  214.726   12.210  209.576   8.0469 5.150116 14.62337 
1 1 1   -3    5   48 o  173.843   6.3593   82.093   5.9594   75.520   8.4266   88.669   8.4291  166.844   9.3466  180.842   8.6257 -13.99792 12.71853 
1 1 1   -3    5   49 o  179.587   6.3550   87.701   6.1532   84.616   8.9072   90.517   8.5103  176.528   9.3377  182.646   8.6228 -6.118118 12.71003 
1 1 1   -3    5   50 o  179.663   6.2793   87.183   6.0798   95.468   8.9793   80.170   8.2619  187.505   8.8622  171.822   8.8984 15.68288 12.55867 
1 1 1   -3    5   51 o  184.805   7.3338   95.168   6.9292   85.878   11.571  100.362   8.6520  177.357   12.074  192.253   8.3282 -14.89687 14.66768 
1 1 1   -3    5   52 o  180.503   8.2174   88.861   8.0036   95.653   11.618   82.725   11.042  187.076   11.493  173.930   11.748 13.14557 16.43475 
1 1 1   -3    5   53 o  360.350   8.0684  355.282   15.711  356.757   22.297  353.829   22.140  361.086   11.428  359.615   11.393 1.471252 16.13679 
1 1 1   -3    5   54 o  435.383   7.7237  521.794   17.365  529.187   21.680  508.559   29.006  440.567   9.1067  430.199   12.478 10.36777 15.44736 
1 1 1   -3    5   55 o  128.744   9.8149   46.452   6.4235   47.577   7.9131   44.279   10.999  131.627   11.125  125.860   16.173 5.766701 19.62983 
1 1 1   -3    5   56 o  249.692   8.3760  170.071   11.235  189.122   17.050  155.450   14.937  261.834   12.051  237.549   11.637 24.28485 16.75201 
1 1 1   -3    5   57 o  254.243   8.3740  178.047   11.462  186.622   17.105  171.059   15.441  259.602   12.193  248.885   11.482 10.71718 16.74808 
1 1 1   -3    5   58 o  293.556   5.6417  235.635   8.9374  235.182   12.972  236.044   12.331  293.196   8.1874  293.917   7.7643 -0.7209473 11.28349 
1 1 1   -3    5   59 o  106.240   9.3542   31.588   5.3502   32.325   7.9497   30.978   7.2336  107.223   13.721  105.256   12.718 1.967606 18.70842 
1 1 1   -3    5   60 o  260.558   5.7021  186.293   8.0221  181.378   11.468  191.002   11.226  257.099   8.2545  264.017   7.8688 -6.918304 11.40417 
1 1 1   -3    5   61 o   49.030   13.396   5.2330   5.0062   6.3831   7.5996   4.3514   6.6540   51.728   19.669   46.332   18.192 5.396015 26.79206 
1 1 1   -3    5   62 o   54.235   13.613   7.1857   5.1711   12.525   7.9104   3.2011   6.8333   64.021   20.341   44.450   18.097 19.57095 27.22573 
1 1 1   -3    5   63 o  220.896   6.0601  134.783   7.2200  133.619   10.510  135.824   9.9357  219.837   8.8471  221.955   8.2841 -2.118256 12.12013 
1 1 1   -3    5   64 o  154.608   7.5666   67.552   6.2671   63.250   9.2958   71.137   8.4856  149.611   11.498  159.605   9.8389 -9.993835 15.13325 
1 1 1   -3    5   65 o  337.503   6.0768  316.053   11.063  324.776   16.210  308.445   15.137  341.651   8.7802  333.355   8.4035 8.295349 12.15357 
1 1 1   -3    5   66 o  102.872   11.318   32.363   6.0446   29.131   8.9915   35.027   8.1649   96.324   17.934  109.419   13.809 -13.09431 22.63499 
1 1 1   -3    5   67 f  229.261   6.5908  147.397   8.1338  143.460   11.933  150.813   11.116  226.002   9.7715  232.520   8.8471 -6.518188 13.18152 
1 1 1   -3    5   68 o  185.252   7.2897   98.937   7.2812  107.838   10.686   91.224   9.9477  193.076   10.243  177.429   10.375 15.64748 14.57945 
1 1 1   -3    5   69 o   71.561   14.628   17.640   5.9410   21.310   9.1649   14.980   7.8023   77.453   21.255   65.669   20.103 11.78470 29.25576 
1 1 1   -3    6    2 o  626.019   7.8023  1059.19   26.390  1048.76   36.972  1070.02   37.680  622.879   10.985  629.159   11.083 -6.279785 15.60451 
1 1 1   -3    6    3 o  635.911   7.9101  1092.91   27.177  1081.44   38.054  1104.84   38.826  632.510   11.134  639.313   11.239 -6.802917 15.82012 
1 1 1   -3    6    4 o  684.502   8.4464  1265.60   31.222  1293.52   45.136  1239.99   43.234  691.731   12.075  677.273   11.813 14.45758 16.89278 
1 1 1   -3    6    6 o  602.202   7.5345  979.821   24.511  964.868   34.158  995.692   35.191  597.470   10.580  606.935   10.730 -9.464783 15.06904 
1 1 1   -3    6    7 o  979.129   11.787  2592.78   62.363  2603.56   88.587  2582.20   87.807  981.144   16.709  977.114   16.630 4.029602 23.57434 
1 1 1   -3    6    9 o  678.268   8.4045  1243.62   30.802  1247.60   43.766  1239.72   43.359  679.342   11.922  677.194   11.849 2.148438 16.80892 
1 1 1   -3    6   10 o  776.073   9.4794  1628.54   39.753  1627.94   56.222  1629.14   56.217  775.930   13.409  776.217   13.403 -0.2874756 18.95881 
1 1 1   -3    6   11 o  843.240   10.245  1923.01   46.683  1929.25   66.235  1916.86   65.805  844.596   14.513  841.883   14.465 2.713257 20.49053 
1 1 1   -3    6   12 o  1583.36   18.833  6797.51  161.128  6835.76  229.263  6760.17  226.501  1587.74   26.722  1578.97   26.546 8.765625 37.66659 
1 1 1   -3    6   13 o  1406.79   16.760  5362.50  127.406  5380.65  180.892  5344.64  179.474  1409.14   23.756  1404.43   23.649 4.703857 33.52063 
1 1 1   -3    6   14 o  1136.67   13.618  3497.15   83.626  3542.79  119.887  3453.90  116.706  1143.87   19.396  1129.47   19.122 14.40698 27.23685 
1 1 1   -3    6   15 o  1008.77   12.151  2755.01   66.227  2730.67   92.866  2780.21   94.472  1004.24   17.113  1013.29   17.254 -9.049133 24.30125 
1 1 1   -3    6   16 o  759.546   9.3100  1561.33   38.211  1558.26   53.965  1564.42   54.113  758.798   13.161  760.294   13.172 -1.496582 18.62002 
1 1 1   -3    6   17 o  766.648   9.3966  1590.95   38.926  1597.18   55.272  1584.83   54.831  768.134   13.316  765.163   13.261 2.970825 18.79315 
1 1 1   -3    6   18 o  324.662   4.7934  284.910   8.4089  280.913   11.836  288.983   11.949  322.363   6.7947  326.961   6.7630 -4.598114 9.586737 
1 1 1   -3    6   19 o  241.836   5.9374  158.081   7.7589   0.0000   0.0000  158.081   7.7589  ?   ?   241.836   5.9374      ?      ? 
1 1 1   -3    6   20 o  335.179   4.9035  303.724   8.8810  302.113   12.575  305.327   12.544  334.291   6.9615  336.066   6.9075 -1.775146 9.806957 
1 1 1   -3    6   21 o  222.386   5.5838  133.695   6.7060  127.410   9.4024  140.203   9.5672  217.065   8.0160  227.707   7.7754 -10.64244 11.16752 
1 1 1   -3    6   22 o  515.652   9.3513  719.809   26.047  706.081   36.252  734.459   37.450  510.581   13.139  520.724   13.309 -10.14279 18.70253 
1 1 1   -3    6   23 o  172.541   5.4953   80.492   5.1215   80.991   7.3581   80.023   7.1328  173.058   7.8684  172.024   7.6733 1.033981 10.99054 
1 1 1   -3    6   24 o  662.871   8.2742  1188.09   29.614  1159.17   40.898  1219.98   42.937  654.412   11.565  671.330   11.836 -16.91803 16.54845 
1 1 1   -3    6   25 o   62.568   12.372   10.795   4.4989   6.9054   6.3808   14.640   6.3443   53.087   18.319   72.049   16.633 -18.96175 24.74332 
1 1 1   -3    6   26 o  461.235   8.8647  575.677   22.090  566.216   30.885  585.586   31.608  457.359   12.497  465.111   12.576 -7.751434 17.72946 
1 1 1   -3    6   27 o  781.538   13.683  1655.78   57.760  1624.55   80.208  1689.41   83.248  773.916   19.179  789.160   19.522 -15.24408 27.36689 
1 1 1   -3    6   28 o  566.932   7.2681  869.209   22.264  860.554   31.241  878.141   31.737  564.066   10.250  569.797   10.308 -5.731506 14.53616 
1 1 1   -3    6   29 o  400.831   5.6495  434.205   12.235  425.712   17.125  443.060   17.485  396.829   7.9862  404.834   7.9930 -8.004913 11.29904 
1 1 1   -3    6   30 f  592.320   7.5507  948.384   24.161  932.030   33.692  965.698   34.666  587.068   10.621  597.571   10.736 -10.50330 15.10137 
1 1 1   -3    6   31 o  1314.40   15.734  4685.76  111.750  4666.34  157.363  4705.51  158.723  1311.67   22.202  1317.14   22.301 -5.470337 31.46826 
1 1 1   -3    6   32 o  674.814   8.4547  1230.89   30.813  1204.38   42.726  1259.62   44.479  667.255   11.850  682.372   12.063 -15.11658 16.90940 
1 1 1   -3    6   33 o  719.711   8.9573  1401.20   34.831  1384.77   48.781  1418.29   49.751  715.411   12.618  724.012   12.716 -8.601196 17.91462 
1 1 1   -3    6   34 o  508.923   6.7634  700.365   18.599  698.923   26.388  701.789   26.219  508.401   9.6054  509.446   9.5241 -1.045074 13.52670 
1 1 1   -3    6   35 f  603.597   7.7415  985.430   25.248  976.699   35.484  994.383   35.933  600.890   10.928  606.303   10.968 -5.412903 15.48293 
1 1 1   -3    6   36 o  305.637   5.3065  252.556   8.7639  251.724   12.412  253.383   12.376  305.135   7.5275  306.140   7.4815 -1.004852 10.61299 
1 1 1   -3    6   37 o  660.921   8.4073  1181.10   30.006  1152.39   41.536  1212.44   43.396  652.540   11.780  669.302   11.999 -16.76208 16.81455 
1 1 1   -3    6   38 o  322.572   5.5586  281.197   9.6865  273.852   13.522  288.940   13.883  318.247   7.8629  326.897   7.8593 -8.650085 11.11724 
1 1 1   -3    6   39 o  1091.38   13.221  3233.36   77.968  3211.30  109.534  3256.02  111.008  1087.62   18.637  1095.13   18.758 -7.512939 26.44297 
1 1 1   -3    6   40 o  1234.09   14.881  4139.40   99.215  4088.68  138.545  4192.79  142.146  1226.38   20.906  1241.80   21.184 -15.41467 29.76264 
1 1 1   -3    6   41 o  796.275   9.9089  1719.04   42.636  1714.03   60.163  1724.10   60.431  795.110   14.003  797.440   14.024 -2.330200 19.81784 
1 1 1   -3    6   42 o  734.622   9.2311  1459.60   36.589  1409.56   50.104  1516.78   53.558  721.194   12.857  748.050   13.250 -26.85577 18.46215 
1 1 1   -3    6   43 o  894.247   11.016  2172.48   53.220  2144.65   74.375  2201.67   76.186  888.409   15.493  900.085   15.664 -11.67627 22.03148 
1 1 1   -3    6   44 o  328.118   7.0898  289.784   11.847  286.102   14.461  297.297   20.659  325.114   8.2312  331.123   11.546 -6.008362 14.17963 
1 1 1   -3    6   45 o  575.028   9.4506  888.991   27.099  922.072   49.281  874.652   32.445  582.041   15.669  568.014   10.571 14.02686 18.90117 
1 1 1   -3    6   46 o  196.238   7.7849  104.424   7.5129  104.730   13.885  104.297   8.9335  196.259   13.093  196.216   8.4256 0.4243469E-01 15.56988 
1 1 1   -3    6   47 o  328.351   5.6548  292.118   10.030  291.534   14.365  292.673   14.010  328.019   8.1046  328.683   7.8881 -0.6643677 11.30957 
1 1 1   -3    6   48 o  435.557   6.3094  514.385   14.843  521.794   21.377  507.487   20.625  438.565   9.0202  432.549   8.8242 6.016205 12.61872 
1 1 1   -3    6   49 o  212.101   5.8190  122.391   6.6505  113.991   9.5204  130.396   9.2942  204.933   8.5972  219.268   7.8442 -14.33487 11.63802 
1 1 1   -3    6   50 o   40.984   11.575  -2.6009   4.8568 -14.4930   7.2003   7.3266   6.5787   28.070   13.782   53.898   18.601 -25.82775 23.15034 
1 1 1   -3    6   51 o   52.705   14.090   1.9625   6.3127   12.435   9.2157  -7.2950   8.6648   67.500   22.003   37.910   17.606 29.58974 28.17995 
1 1 1   -3    6   52 o  178.087   8.1793   86.762   7.8050   72.590   10.819  102.140   11.270  162.779   12.300  193.396   10.785 -30.61800 16.35863 
1 1 1   -3    6   53 o  172.497   7.3575   78.534   6.5727   90.766   11.324   72.320   8.0715  182.075   11.510  162.918   9.1685 19.15762 14.71507 
1 1 1   -3    6   54 o  211.827   6.9144  123.358   7.6780  125.896   9.7995  119.324   12.356  214.966   8.4362  208.688   10.957 6.278442 13.82879 
1 1 1   -3    6   55 o  230.741   8.4481  145.253   10.534  145.253   10.534   0.0000   0.0000  230.741   8.4481  ?   ?       ?      ? 
1 1 1   -3    6   56 o   64.936   15.614   9.6586   7.6745  -3.3131   11.525   19.993   10.287   48.276   21.580   81.597   22.570 -33.32081 31.22707 
1 1 1   -3    6   57 f  228.290   8.6863  144.799   10.655  142.477   15.854  146.712   14.389  226.278   12.966  230.302   11.562 -4.023743 17.37266 
1 1 1   -3    6   58 o  230.970   5.8771  146.362   7.3173  135.904   10.409  156.579   10.289  222.669   8.6507  239.270   7.9577 -16.60091 11.75414 
1 1 1   -3    6   59 o   52.641   13.712   6.9252   5.1467   6.1301   7.5374   7.6197   7.0447   51.545   19.591   53.737   19.192 -2.191944 27.42474 
1 1 1   -3    6   60 o  117.319   8.7878   37.924   5.5040   47.250   8.3392   30.726   7.3265  130.076   11.864  104.562   12.967 25.51373 17.57552 
1 1 1   -3    6   61 o  113.390   9.0439   36.135   5.4929   37.256   8.3858   35.292   7.2695  114.638   13.537  112.142   11.996 2.495575 18.08771 
1 1 1   -3    6   62 o  343.992   5.9411  326.016   11.021  332.669   16.176  320.253   15.056  347.072   8.6250  340.911   8.1728 6.160919 11.88215 
1 1 1   -3    6   63 o  157.585   7.3212   69.162   6.2102   70.829   9.2388   67.788   8.3879  159.121   10.745  156.050   9.9472 3.071548 14.64233 
1 1 1   -3    6   64 o   94.314   12.196   27.755   5.9152   19.381   8.5846   35.326   8.1621   77.847   20.225  110.781   13.635 -32.93415 24.39141 
1 1 1   -3    6   65 o  117.383   10.034   41.169   6.2051   32.910   9.0511   48.494   8.5232  104.811   15.981  129.956   12.137 -25.14529 20.06767 
1 1 1   -3    6   66 o  140.189   8.6602   57.923   6.3563   46.247   9.4925   67.413   8.5581  125.786   13.966  154.592   10.245 -28.80540 17.32040 
1 1 1   -3    6   67 o  146.318   8.4949   62.256   6.6001   57.189   10.029   66.127   8.7662  140.039   13.253  152.598   10.631 -12.55872 16.98985 
1 1 1   -3    6   68 o  309.219   6.2094  270.478   10.332  281.414   15.439  261.607   13.905  314.329   9.0898  304.109   8.4619 10.21909 12.41881 
1 1 1   -3    6   69 o  150.469   8.3040   67.317   6.6408   62.471   10.078   71.035   8.8286  144.316   12.923  156.622   10.432 -12.30614 16.60806 
1 1 1   -3    7    1 o  853.693   10.371  1970.45   47.838  1984.73   68.142  1956.58   67.175  856.740   14.719  850.647   14.614 6.092346 20.74168 
1 1 1   -3    7    4 o  1192.21   14.330  3845.35   92.298  3803.03  129.028  3889.69  132.083  1185.51   20.141  1198.92   20.388 -13.40894 28.65904 
1 1 1   -3    7    5 o  414.246   5.5987  462.538   12.510  483.220   18.374  444.669   17.080  422.853   8.0415  405.638   7.7922 17.21500 11.19748 
1 1 1   -3    7    6 o  477.665   6.2698  615.312   16.158  639.519   23.673  594.199   22.108  486.439   9.0060  468.891   8.7255 17.54810 12.53964 
1 1 1   -3    7    7 o  767.020   13.299  1590.72   55.122   0.0000   0.0000  1590.72   55.122  ?   ?   767.020   13.299      ?      ? 
1 1 1   -3    7    8 o  600.112   7.5478  973.337   24.472  983.732   34.980  963.372   34.250  603.248   10.731  596.977   10.617 6.272034 15.09551 
1 1 1   -3    7    9 o  226.249   5.8191  138.325   7.1142   0.0000   0.0000  138.325   7.1142  ?   ?   226.249   5.8191      ?      ? 
1 1 1   -3    7   10 o  585.194   7.4060  925.692   23.418  918.348   32.927  933.210   33.313  582.846   10.455  587.542   10.493 -4.696289 14.81209 
1 1 1   -3    7   11 o  1107.37   13.283  3319.08   79.483  3335.00  112.988  3303.49  111.832  1109.99   18.838  1104.75   18.733 5.245483 26.56667 
1 1 1   -3    7   12 o  707.109   8.7317  1352.06   33.364  1351.90   47.188  1352.22   47.179  707.067   12.351  707.150   12.347 -0.8221436E-01 17.46350 
1 1 1   -3    7   13 o  316.024   4.7325  269.918   8.0815  267.721   11.428  272.116   11.430  314.737   6.7195  317.311   6.6660 -2.573883 9.465066 
1 1 1   -3    7   14 o  731.110   9.0055  1446.05   35.574  1432.80   49.899  1459.74   50.731  727.709   12.690  734.512   12.782 -6.802917 18.01096 
1 1 1   -3    7   15 o  878.577   15.117  2090.50   71.769   0.0000   0.0000  2090.50   71.769  ?   ?   878.577   15.117      ?      ? 
1 1 1   -3    7   16 o  502.415   6.5276  682.254   17.716  668.800   24.660  696.602   25.467  497.303   9.1768  507.528   9.2859 -10.22534 13.05527 
1 1 1   -3    7   17 o  229.525   4.2035  142.432   5.2120  139.024   7.3900  145.805   7.3521  226.791   6.0302  232.259   5.8580 -5.468307 8.407077 
1 1 1   -3    7   18 o  368.440   5.2262  367.006   10.405  367.253   14.772  366.763   14.658  368.563   7.4172  368.318   7.3647 0.2442017 10.45246 
1 1 1   -3    7   19 o  823.887   12.319  1842.90   51.806  1834.91   89.250  1846.96   63.622  822.025   20.092  825.750   14.258 -3.724792 24.63756 
1 1 1   -3    7   20 o   75.829   7.9268   15.298   3.2200   18.182   4.9249   13.144   4.2557   81.968   11.119   69.690   11.301 12.27757 15.85366 
1 1 1   -3    7   21 o  430.734   8.1310  502.004   18.918  509.685   27.212  494.820   26.318  433.914   11.606  427.554   11.391 6.359222 16.26209 
1 1 1   -3    7   22 o  468.034   7.5531  590.345   18.048  585.289   22.107  600.450   31.253  465.168   8.7949  470.901   12.282 -5.732819 15.10620 
1 1 1   -3    7   23 o  214.244   4.3639  124.047   5.0514  121.634   7.0798  126.549   7.2096  212.122   6.1765  216.365   6.1665 -4.243073 8.727846 
1 1 1   -3    7   24 o  354.345   7.5450  339.772   14.446  337.387   20.515  342.117   20.344  353.108   10.752  355.582   10.588 -2.474579 15.08990 
1 1 1   -3    7   25 o  657.854   11.758  1173.19   41.797  1169.37   59.016  1177.03   59.203  656.781   16.629  658.928   16.627 -2.147217 23.51549 
1 1 1   -3    7   26 o  190.215   6.9316   97.719   7.1120  106.239   10.253   89.820   9.8733  198.198   9.5737  182.232   10.026 15.96658 13.86312 
1 1 1   -3    7   27 o  365.854   5.3545  361.486   10.580  349.810   14.683  374.094   15.258  359.717   7.5539  371.992   7.5908 -12.27490 10.70898 
1 1 1   -3    7   28 o  1419.29   16.981  5471.40  130.224  5435.96  182.960  5507.79  185.392  1414.66   23.934  1423.93   24.094 -9.266357 33.96145 
1 1 1   -3    7   29 o  1520.93   18.168  6279.95  149.233  6166.01  206.962  6403.35  215.385  1506.66   25.421  1535.21   25.963 -28.54700 36.33598 
1 1 1   -3    7   30 o  419.724   5.8611  475.853   13.288  462.905   18.470  489.745   19.131  413.811   8.2600  425.637   8.3177 -11.82608 11.72227 
1 1 1   -3    7   31 o  407.228   5.7642  448.188   12.682  439.243   17.774  457.464   18.101  403.091   8.1603  411.366   8.1432 -8.275818 11.52832 
1 1 1   -3    7   32 o  606.762   7.7479  995.639   25.400  1002.41   36.256  989.116   35.596  608.783   11.021  604.741   10.893 4.041626 15.49583 
1 1 1   -3    7   33 o  806.651   9.9331  1759.97   43.277  1725.40   60.096  1797.20   62.373  798.440   13.929  814.861   14.165 -16.42059 19.86626 
1 1 1   -3    7   34 o  417.444   5.9389  471.118   13.396  464.772   18.890  477.537   18.999  414.615   8.4315  420.272   8.3661 -5.657227 11.87780 
1 1 1   -3    7   35 o  607.896   7.8111  998.217   25.633  966.928   35.299  1033.12   37.283  597.842   10.927  617.949   11.165 -20.10742 15.62228 
1 1 1   -3    7   36 o  478.052   6.5597  618.103   16.945  614.183   23.940  622.039   23.988  476.532   9.2970  479.571   9.2566 -3.039825 13.11942 
1 1 1   -3    7   37 o  1465.83   17.582  5847.91  139.262  5836.01  196.576  5859.90  197.320  1464.34   24.843  1467.31   24.886 -2.975342 35.16380 
1 1 1   -3    7   38 f  307.678   5.5456  255.773   9.2161  246.463   12.836  265.677   13.240  301.903   7.8685  313.452   7.8168 -11.54919 11.09123 
1 1 1   -3    7   39 o  1387.82   16.695  5237.77  125.087  5117.12  172.509  5371.53  181.642  1371.13   23.283  1404.51   23.933 -33.37781 33.39038 
1 1 1   -3    7   40 o  222.861   5.9889  134.324   7.2115  132.559   10.118  136.147   10.281  221.373   8.4581  224.348   8.4809 -2.975662 11.97773 
1 1 1   -3    7   41 o  343.395   5.7649  318.986   10.696  312.249   15.090  325.789   15.163  339.747   8.2194  347.042   8.0857 -7.294556 11.52981 
1 1 1   -3    7   42 o  499.981   6.9100  676.702   18.669  670.931   26.296  682.567   26.508  497.832   9.7749  502.130   9.7696 -4.298828 13.82006 
1 1 1   -3    7   43 o  626.545   10.007  1063.21   31.846  1057.57   38.848  1074.78   55.605  624.566   11.511  628.523   16.372 -3.956482 20.01346 
1 1 1   -3    7   44 o  532.717   7.2220  768.081   20.768  788.170   30.209  750.079   28.596  539.290   10.366  526.144   10.058 13.14606 14.44405 
1 1 1   -3    7   45 o  399.471   7.7029  428.471   15.211  443.694   28.086  422.153   18.094  404.133   12.861  394.810   8.4810 9.322449 15.40578 
1 1 1   -3    7   46 o  285.491   5.6295  220.867   8.6784  218.194   12.467  223.379   12.088  283.799   8.1296  287.183   7.7893 -3.383698 11.25893 
1 1 1   -3    7   47 o  330.424   5.6767  296.004   10.127  292.257   14.582  299.493   14.073  328.380   8.2180  332.468   7.8335 -4.087982 11.35338 
1 1 1   -3    7   48 f  243.503   5.6554  160.297   7.4191  166.606   11.005  155.042   10.045  247.858   8.2171  239.149   7.7728 8.709213 11.31090 
1 1 1   -3    7   49 o  276.601   5.5853  207.597   8.3411  206.082   12.022  209.003   11.582  275.604   8.0724  277.599   7.7213 -1.995117 11.17061 
1 1 1   -3    7   50 o  126.889   10.516   44.042   7.0034   59.369   10.366   31.171   9.4990  147.371   13.017  106.407   16.520 40.96392 21.03279 
1 1 1   -3    7   51 o  199.719   7.8678  108.805   8.4867  113.604   12.196  104.302   11.816  203.995   11.064  195.443   11.189 8.552582 15.73553 
1 1 1   -3    7   52 o  250.098   5.6837  170.078   7.6792  166.033   10.876  174.100   10.845  247.111   8.1446  253.085   7.9298 -5.974121 11.36738 
1 1 1   -3    7   53 o  175.079   7.4833   82.211   6.7408   88.964   11.639   78.803   8.2688  180.102   11.959  170.055   8.9984 10.04675 14.96658 
1 1 1   -3    7   54 o  270.985   6.7077  198.799   9.2861  206.486   16.123  194.984   11.359  274.384   10.875  267.586   7.8559 6.797516 13.41535 
1 1 1   -3    7   55 o  183.734   9.6735   92.416   9.6042   92.416   9.6042   0.0000   0.0000  183.734   9.6735  ?   ?       ?      ? 
1 1 1   -3    7   56 o  146.510   11.390   59.992   8.9870   66.757   13.324   54.347   12.173  154.074   16.004  138.946   16.212 15.12808 22.78095 
1 1 1   -3    7   57 o  117.488   13.002   39.493   8.2326   41.464   12.187   37.838   11.165  120.022   18.791  114.954   17.975 5.068230 26.00364 
1 1 1   -3    7   58 o  137.521   7.9076   53.842   5.6948   40.665   8.3026   65.549   7.8258  120.680   12.732  154.363   9.3821 -33.68294 15.81525 
1 1 1   -3    7   59 o  155.980   7.0431   66.562   5.9033   73.329   8.9444   61.338   7.8578  162.868   10.163  149.091   9.7535 13.77719 14.08611 
1 1 1   -3    7   60 o  264.725   5.7993  191.943   8.2697  199.773   12.281  185.448   11.186  269.523   8.4326  259.926   7.9638 9.596680 11.59870 
1 1 1   -3    7   61 o  124.911   8.5387   43.814   5.7142   44.351   8.6800   43.404   7.5911  125.273   12.823  124.550   11.279 0.7227020 17.07741 
1 1 1   -3    7   62 o   86.044   12.321   23.026   5.5383   17.027   8.3730   27.691   7.3844   73.644   20.360   98.445   13.881 -24.80141 24.64156 
1 1 1   -3    7   63 o   37.403   12.011  -3.1689   5.3475  -6.8452   8.2560  -0.5119   7.0187   35.709   16.778   39.097   17.190 -3.387108 24.02119 
1 1 1   -3    7   64 o  197.064   6.6226  108.512   7.0162  104.768   10.345  111.700   9.5475  193.563   9.8908  200.565   8.8094 -7.002029 13.24515 
1 1 1   -3    7   65 o  121.477   9.6403   43.792   6.2175   37.614   9.1688   49.051   8.4596  112.369   15.100  130.585   11.989 -18.21568 19.28057 
1 1 1   -3    7   66 o   71.721   12.175   16.063   6.0368  -0.5761   8.9882   29.737   8.1480   43.056   19.166  100.386   15.021 -57.32948 24.35066 
1 1 1   -3    7   67 o  156.859   8.0681   71.667   6.7102   69.053   10.405   73.527   8.7801  153.272   12.563  160.446   10.127 -7.174271 16.13630 
1 1 1   -3    7   68 o   42.597   13.238   1.4492   5.7577   1.4785   9.2614   1.4308   7.3508   44.365   19.616   40.829   17.781 3.536350 26.47508 
1 1 1   -3    7   69 o   34.536   11.622  -6.4232   5.7149  -2.4860   9.1732  -8.9208   7.3060   39.152   18.159   29.920   14.510 9.232489 23.24422 
1 1 1   -3    8    1 o  1523.90   18.137  6292.46  149.351  6281.23  210.790  6303.78  211.641  1522.54   25.621  1525.26   25.678 -2.720581 36.27398 
1 1 1   -3    8    2 o  798.050   13.816  1722.21   59.579  1722.21   59.579   0.0000   0.0000  798.050   13.816  ?   ?       ?      ? 
1 1 1   -3    8    3 o  608.931   7.6779  1001.86   25.254  1019.71   36.331  985.170   35.128  614.174   10.947  603.688   10.769 10.48535 15.35580 
1 1 1   -3    8    5 o  1267.45   15.169  4349.04  103.873  4395.94  148.570  4304.19  145.284  1274.12   21.579  1260.79   21.325 13.33228 30.33818 
1 1 1   -3    8    6 o  763.880   9.3836  1576.74   38.709  1610.21   55.935  1545.99   53.624  771.645   13.415  756.115   13.125 15.53009 18.76720 
1 1 1   -3    8    8 o  812.138   9.9221  1783.83   43.543  1787.87   61.736  1779.84   61.424  813.050   14.052  811.226   14.012 1.824890 19.84429 
1 1 1   -3    8   10 f  1003.47   12.105  2725.11   65.638  2739.35   93.338  2711.19   92.322  1006.06   17.169  1000.88   17.070 5.175964 24.21087 
1 1 1   -3    8   11 o  118.514   4.7590   38.012   3.0436   36.224   4.3420   39.738   4.2674  115.770   6.9408  121.258   6.5128 -5.487793 9.517918 
1 1 1   -3    8   12 o  227.137   4.3044  139.453   5.2821  138.482   7.5294  140.394   7.4120  226.358   6.1557  227.916   6.0183 -1.558472 8.608826 
1 1 1   -3    8   13 o  335.418   6.9707  304.123   12.634   0.0000   0.0000  304.123   12.634  ?   ?   335.418   6.9707      ?      ? 
1 1 1   -3    8   15 o  499.921   6.5391  675.889   17.665  674.009   24.976  677.770   24.988  499.224   9.2584  500.617   9.2371 -1.392273 13.07828 
1 1 1   -3    8   16 o  1070.75   12.911  3109.17   74.689  3139.21  106.730  3080.35  104.556  1075.79   18.360  1065.71   18.156 10.08691 25.82116 
1 1 1   -3    8   17 o  373.627   6.4548  381.794   12.451  362.838   20.692  392.552   15.589  366.216   10.456  381.038   7.5710 -14.82141 12.90956 
1 1 1   -3    8   18 o  514.285   9.3844  716.128   26.076  720.946   37.227  711.487   36.537  515.976   13.352  512.594   13.191 3.382263 18.76880 
1 1 1   -3    8   19 o  291.493   6.4128  229.869   10.099  225.901   14.330  233.784   14.235  288.990   9.1766  293.996   8.9602 -5.006775 12.82562 
1 1 1   -3    8   20 f  406.742   7.8477  447.578   17.244  436.937   24.077  458.784   24.709  401.782   11.090  411.703   11.107 -9.920929 15.69530 
1 1 1   -3    8   21 o  229.580   4.4122  142.410   5.4684  144.158   7.9291  140.824   7.5517  230.921   6.3544  228.240   6.1230 2.680740 8.824341 
1 1 1   -3    8   22 o  468.432   7.7596  590.621   18.330  585.006   22.183  602.703   32.541  465.076   8.8271  471.789   12.764 -6.713013 15.51915 
1 1 1   -3    8   23 o  174.705   7.2419   82.506   6.8167   74.144   9.4786   91.464   9.8105  165.536   10.597  183.874   9.8738 -18.33821 14.48378 
1 1 1   -3    8   24 o  469.702   9.0508  595.615   22.928  622.973   33.713  572.072   31.275  479.695   13.006  459.709   12.590 19.98526 18.10155 
1 1 1   -3    8   25 o  1012.18   17.423  2785.53   95.281  2759.01  133.493  2813.06  136.037  1007.30   24.525  1017.06   24.753 -9.759033 34.84520 
1 1 1   -3    8   26 o  1089.78   13.144  3219.39   77.390  3185.24  108.271  3255.07  110.659  1083.89   18.486  1095.67   18.691 -11.77551 26.28805 
1 1 1   -3    8   27 o  834.373   10.229  1884.54   46.117  1873.39   64.881  1895.94   65.563  831.881   14.433  836.865   14.498 -4.984375 20.45777 
1 1 1   -3    8   28 o  729.774   9.0647  1440.82   35.745  1432.12   50.331  1449.68   50.775  727.552   12.802  731.996   12.837 -4.444763 18.12942 
1 1 1   -3    8   29 o  487.701   6.5314  643.043   17.212  637.044   24.277  649.107   24.407  485.413   9.2554  489.989   9.2183 -4.575745 13.06284 
1 1 1   -3    8   30 o  173.028   5.0521   81.076   4.7142   76.022   6.7182   85.978   6.6168  167.704   7.4135  178.353   6.8656 -10.64894 10.10429 
1 1 1   -3    8   31 o  1169.18   14.084  3706.10   88.979  3711.97  126.187  3700.30  125.485  1170.09   19.958  1168.27   19.878 1.825317 28.16770 
1 1 1   -3    8   32 o  693.818   8.7019  1301.69   32.614  1277.94   45.405  1327.00   46.875  687.290   12.226  700.345   12.386 -13.05493 17.40384 
1 1 1   -3    8   33 o  447.514   6.2344  541.256   15.073  530.063   21.055  553.022   21.588  442.771   8.8002  452.257   8.8335 -9.486023 12.46889 
1 1 1   -3    8   34 o  461.153   6.3663  574.706   15.859  560.096   22.096  590.229   22.776  455.112   8.9848  467.193   9.0219 -12.08072 12.73267 
1 1 1   -3    8   35 o  210.935   5.4448  120.356   6.2021  118.473   8.8914  122.140   8.6555  209.324   7.8607  212.546   7.5362 -3.221405 10.88964 
1 1 1   -3    8   36 o  935.993   16.209  2374.42   81.980  2374.42   81.980   0.0000   0.0000  935.993   16.209  ?   ?       ?      ? 
1 1 1   -3    8   37 o  372.473   5.8718  374.714   11.811  361.717   16.357  388.872   17.072  365.734   8.2767  379.212   8.3312 -13.47739 11.74362 
1 1 1   -3    8   38 o  745.079   9.3465  1502.38   37.611  1470.19   52.176  1537.20   54.265  736.793   13.105  753.365   13.330 -16.57147 18.69297 
1 1 1   -3    8   39 o  313.634   5.8015  266.061   9.8306  260.802   13.908  271.312   13.897  310.533   8.2885  316.734   8.1196 -6.201538 11.60291 
1 1 1   -3    8   40 f  999.305   12.202  2711.86   65.878  2677.65   92.070  2747.75   94.302  992.879   17.161  1005.73   17.352 -12.85333 24.40456 
1 1 1   -3    8   41 o  965.867   11.825  2533.79   61.715  2542.83   87.673  2524.91   86.890  967.560   16.769  964.173   16.677 3.386597 23.65002 
1 1 1   -3    8   42 o  651.148   10.433  1124.54   33.558  1086.71   39.731  1218.69   62.685  633.154   11.613  669.141   17.336 -35.98785 20.86620 
1 1 1   -3    8   43 o  712.151   9.0519  1373.01   34.774  1322.16   47.514  1431.66   51.029  698.037   12.597  726.266   13.003 -28.22864 18.10373 
1 1 1   -3    8   44 o  479.572   8.4200  624.250   20.271  623.649   36.090  624.526   24.502  479.019   13.943  480.125   9.4439 -1.106049 16.83995 
1 1 1   -3    8   45 o  251.265   5.8778  171.161   7.9673  168.356   11.552  173.707   11.003  249.279   8.5759  253.251   8.0403 -3.972717 11.75555 
1 1 1   -3    8   46 o  497.474   6.8947  671.035   18.522  681.387   26.772  661.531   25.651  501.123   9.8865  493.825   9.6128 7.298553 13.78945 
1 1 1   -3    8   47 o  333.022   5.7455  300.346   10.330  307.184   14.994  294.170   14.251  336.610   8.2434  329.434   8.0055 7.175903 11.49096 
1 1 1   -3    8   48 o  364.716   5.8818  360.907   11.583  361.688   16.715  360.185   16.066  365.066   8.4732  364.366   8.1601 0.7005920 11.76355 
1 1 1   -3    8   49 o  218.999   7.7232  130.584   9.1383  130.653   13.037  130.518   12.813  219.041   11.014  218.956   10.830 0.8485413E-01 15.44647 
1 1 1   -3    8   50 o  171.849   8.4839   80.848   7.8606   75.991   11.241   85.495   10.996  166.710   12.479  176.987   11.497 -10.27707 16.96778 
1 1 1   -3    8   51 o  281.145   5.6212  214.829   8.5385  211.976   12.122  217.638   12.029  279.275   8.0329  283.014   7.8655 -3.739532 11.24243 
1 1 1   -3    8   52 o  248.028   5.6988  165.947   7.6021  181.359   11.449  153.794   10.167  258.216   8.2053  237.839   7.9108 20.37622 11.39768 
1 1 1   -3    8   53 o  525.946   7.2295  755.959   20.535  768.317   29.618  744.520   28.497  530.011   10.342  521.882   10.105 8.129150 14.45897 
1 1 1   -3    8   54 o  439.721   7.7878  530.239   17.500  533.333   30.115  528.661   21.504  439.532   12.679  439.911   9.0461 -0.3793030 15.57556 
1 1 1   -3    8   55 o  218.720   9.1595  131.945   10.776  137.635   16.157  127.387   14.462  222.755   13.423  214.685   12.466 8.069794 18.31907 
1 1 1   -3    8   56 o  215.663   13.181  129.459   15.361  129.459   15.361   0.0000   0.0000  215.663   13.181  ?   ?       ?      ? 
1 1 1   -3    8   57 o  130.830   10.166   41.550   6.5419   65.541   12.990   33.397   7.5723  152.174   15.797  109.485   12.799 42.68938 20.33118 
1 1 1   -3    8   58 o  220.946   5.9097  134.004   7.0491  131.479   10.131  136.373   9.8140  218.842   8.5674  223.049   8.1425 -4.207077 11.81949 
1 1 1   -3    8   59 o  147.795   7.3683   59.798   5.8479   67.309   8.8917   54.072   7.7631  155.829   10.560  139.762   10.279 16.06726 14.73657 
1 1 1   -3    8   60 o  124.486   8.3055   42.874   5.5530   48.687   8.4227   38.405   7.3853  131.832   11.823  117.140   11.667 14.69137 16.61092 
1 1 1   -3    8   61 o   41.234   12.561   0.5432   5.0968  -0.9677   7.5689   1.7967   6.8942   40.164   17.747   42.303   17.782 -2.139507 25.12293 
1 1 1   -3    8   62 o  154.968   7.4339   66.643   6.1749   70.024   9.4364   64.111   8.1659  158.130   11.043  151.807   9.9547 6.322784 14.86790 
1 1 1   -3    8   63 o  170.307   7.1057   81.607   6.4961   74.339   9.4302   88.171   8.9615  162.641   10.730  177.973   9.3183 -15.33214 14.21143 
1 1 1   -3    8   64 o   51.518   13.979   5.9127   5.6725   11.146   8.4036   1.5318   7.6884   60.036   21.006   43.000   18.451 17.03639 27.95874 
1 1 1   -3    8   65 o   38.987   12.307  -3.3002   5.5317   3.6986   8.1537  -9.2686   7.5296   46.638   19.453   31.336   15.082 15.30205 24.61424 
1 1 1   -3    8   66 o  197.476   6.9131  109.778   7.3449  106.681   10.803  112.440   10.016  194.482   10.280  200.470   9.2460 -5.987808 13.82610 
1 1 1   -3    8   67 o  191.675   6.9515  104.516   7.1452  115.653   10.959   96.281   9.4234  200.084   10.136  183.266   9.5156 16.81837 13.90298 
1 1 1   -3    8   68 o   83.732   13.744   22.936   6.1520   32.459   9.5827   16.259   8.0239   99.185   18.562   68.280   20.275 30.90519 27.48830 
1 1 1   -3    9    1 o  445.224   6.0347  535.729   14.518  538.917   20.679  532.632   20.386  446.529   8.5703  443.919   8.4984 2.609894 12.06946 
1 1 1   -3    9    3 o  552.157   7.0991  823.706   21.173  808.682   29.450  839.781   30.462  546.950   9.9643  557.364   10.114 -10.41339 14.19814 
1 1 1   -3    9    4 o  427.957   5.8516  494.832   13.528  502.096   19.416  487.979   18.860  431.007   8.3365  424.908   8.2139 6.099823 11.70323 
1 1 1   -3    9    5 o  913.222   11.094  2256.21   54.746  2264.17   77.771  2248.39   77.078  914.814   15.732  911.629   15.647 3.185059 22.18859 
1 1 1   -3    9    7 o  887.817   10.813  2130.98   51.839  2178.45   75.000  2087.56   71.731  897.261   15.469  878.374   15.113 18.88770 21.62581 
1 1 1   -3    9    9 o  1051.44   17.959  2995.29  102.038   0.0000   0.0000  2995.29  102.038  ?   ?   1051.44   17.959      ?      ? 
1 1 1   -3    9   10 o  442.571   6.0050  529.515   14.359  534.052   20.488  525.134   20.131  444.432   8.5312  440.709   8.4533 3.723145 12.00999 
1 1 1   -3    9   11 o  896.265   10.919  2175.29   52.873  2148.68   73.902  2203.19   75.676  890.664   15.355  901.865   15.528 -11.20197 21.83835 
1 1 1   -3    9   12 o  569.805   10.338  878.243   31.830   0.0000   0.0000  878.243   31.830  ?   ?   569.805   10.338      ?      ? 
1 1 1   -3    9   13 o  353.627   5.1691  338.082   9.8771  336.634   14.012  339.512   13.925  352.873   7.3484  354.380   7.2718 -1.507751 10.33817 
1 1 1   -3    9   14 o  429.887   5.8806  499.501   13.656  507.739   19.607  491.740   19.032  433.325   8.3735  426.448   8.2590 6.877075 11.76119 
1 1 1   -3    9   15 o  649.275   10.028  1130.33   32.716  1172.75   58.697  1111.21   39.404  657.742   16.515  640.809   11.380 16.93268 20.05567 
1 1 1   -3    9   16 o  131.576   6.6813   46.514   4.7234   49.662   7.1499   44.077   6.2919  135.495   9.7653  127.658   9.1211 7.837097 13.36250 
1 1 1   -3    9   17 o  515.101   9.4520  718.460   26.304  723.874   37.633  713.288   36.780  516.989   13.471  513.214   13.262 3.775085 18.90402 
1 1 1   -3    9   18 o  503.932   9.2857  687.671   25.283  677.703   35.466  697.973   36.054  500.220   13.121  507.643   13.143 -7.423584 18.57144 
1 1 1   -3    9   19 o  552.275   7.1527  825.297   21.344  827.271   30.411  823.381   29.963  552.920   10.178  551.630   10.052 1.291077 14.30533 
1 1 1   -3    9   20 o  927.514   13.898  2329.45   65.302  2315.68   79.451  2358.11  114.645  924.159   15.910  930.869   22.792 -6.710022 27.79550 
1 1 1   -3    9   21 o  417.216   8.3407  471.170   18.804  469.144   26.583  473.198   26.603  416.317   11.816  418.115   11.774 -1.797577 16.68135 
1 1 1   -3    9   22 o  658.351   11.785  1175.23   41.927  1174.10   59.325  1176.35   59.262  658.033   16.684  658.669   16.650 -0.6355591 23.57096 
1 1 1   -3    9   23 o  289.055   7.1730  226.013   11.204  226.126   15.889  225.901   15.801  289.126   10.170  288.984   10.118 0.1422729 14.34610 
1 1 1   -3    9   24 o  895.019   13.359  2188.26   61.525  2119.82  103.493  2225.67   76.513  883.587   21.676  906.451   15.621 -22.86401 26.71790 
1 1 1   -3    9   25 o  230.548   4.6787  143.544   5.8215  146.106   8.4779  141.258   8.0079  232.490   6.7483  228.605   6.4825 3.885452 9.357491 
1 1 1   -3    9   26 o  1591.47   19.043  6888.51  163.753  6839.19  230.114  6939.11  233.078  1585.73   26.855  1597.21   27.005 -11.48242 38.08518 
1 1 1   -3    9   27 o  357.333   7.5807  345.152   14.638   0.0000   0.0000  345.152   14.638  ?   ?   357.333   7.5807      ?      ? 
1 1 1   -3    9   28 o  945.469   11.507  2420.04   58.789  2405.42   82.762  2434.93   83.523  942.589   16.249  948.348   16.299 -5.758240 23.01459 
1 1 1   -3    9   29 o  180.691   5.1657   88.372   5.0267   86.687   7.3808   89.830   6.8647  179.079   7.6273  182.303   6.9685 -3.224869 10.33134 
1 1 1   -3    9   30 o  630.427   8.0254  1074.98   27.339  1067.95   38.541  1082.10   38.787  628.353   11.351  632.501   11.348 -4.148132 16.05084 
1 1 1   -3    9   31 o  336.655   5.3530  306.411   9.7363  303.807   13.862  308.946   13.679  335.241   7.6519  338.069   7.4877 -2.827271 10.70590 
1 1 1   -3    9   32 o  112.756   7.3275   34.775   4.4110   31.026   6.5329   37.916   5.9798  107.098   11.289  118.415   9.3453 -11.31730 14.65493 
1 1 1   -3    9   33 o  1092.82   13.211  3235.68   77.968  3167.78  108.003  3309.57  112.672  1080.90   18.491  1104.74   18.874 -23.84338 26.42263 
1 1 1   -3    9   34 o  357.874   5.6499  346.304   10.925  341.490   15.438  351.134   15.464  355.381   8.0391  360.367   7.9411 -4.986298 11.29988 
1 1 1   -3    9   35 o   77.254   11.989   16.805   4.8774   14.346   6.8154   19.385   6.9829   71.339   17.751   83.169   16.120 -11.82983 23.97819 
1 1 1   -3    9   36 o  1167.71   14.109  3701.00   89.001  3648.66  124.152  3756.33  127.653  1159.26   19.819  1176.17   20.085 -16.90210 28.21709 
1 1 1   -3    9   37 o  512.503   7.0150  710.257   19.422  694.409   27.088  727.024   27.862  506.625   9.8949  518.382   9.9466 -11.75735 14.03005 
1 1 1   -3    9   38 o  1311.05   15.801  4675.48  111.914  4617.10  156.260  4736.97  160.359  1302.71   22.198  1319.39   22.492 -16.68018 31.60144 
1 1 1   -3    9   39 o  715.950   9.0668  1388.89   35.077  1381.05   49.469  1396.81   49.745  713.918   12.823  717.981   12.822 -4.063110 18.13365 
1 1 1   -3    9   40 o  562.014   7.5052  853.607   22.768  822.745   31.321  888.189   33.155  551.272   10.514  572.755   10.713 -21.48358 15.01043 
1 1 1   -3    9   41 o  373.664   7.5743  369.534   14.056  356.881   16.704  400.225   26.014  363.139   8.5123  384.188   12.531 -21.04898 15.14867 
1 1 1   -3    9   42 o  389.814   7.6314  410.748   15.026  408.803   18.234  414.865   26.522  388.592   8.6837  391.037   12.552 -2.445313 15.26271 
1 1 1   -3    9   43 o  601.347   9.7903  989.966   30.003  959.685   51.486  1005.54   36.921  593.756   16.047  608.938   11.220 -15.18176 19.58054 
1 1 1   -3    9   44 o  211.494   6.2207  120.951   7.0682  123.260   10.626  119.118   9.4663  213.273   9.2201  209.715   8.3534 3.557831 12.44146 
1 1 1   -3    9   45 o  498.767   6.9363  674.797   18.691  676.363   26.708  673.293   26.166  499.316   9.8987  498.218   9.7191 1.098145 13.87251 
1 1 1   -3    9   46 o  190.598   6.3278   98.654   6.5072   95.497   9.3675  101.598   9.0461  187.623   9.2395  193.572   8.6483 -5.949280 12.65551 
1 1 1   -3    9   47 o  441.082   7.7475  531.188   17.523  523.198   29.814  535.404   21.658  438.052   12.595  444.113   9.0249 -6.061676 15.49496 
1 1 1   -3    9   48 o  269.270   7.7208  197.661   11.217  186.577   15.948  208.514   15.780  261.721   11.277  276.819   10.549 -15.09821 15.44154 
1 1 1   -3    9   49 o  272.412   7.5701  202.216   11.139  197.297   15.841  207.027   15.665  269.095   10.894  275.729   10.514 -6.634521 15.14024 
1 1 1   -3    9   50 f  119.081   8.6054   38.991   5.5082   35.160   7.8978   42.620   7.6860  113.264   12.904  124.898   11.388 -11.63474 17.21071 
1 1 1   -3    9   51 o   93.501   10.843   24.475   5.2278   32.353   7.7025   17.746   7.1185  108.528   13.134   78.474   17.257 30.05447 21.68634 
1 1 1   -3    9   52 o  448.752   6.5441  547.689   15.836  569.589   23.309  528.915   21.582  456.981   9.4394  440.523   9.0664 16.45819 13.08822 
1 1 1   -3    9   53 o  560.474   7.5787  861.269   22.951  861.280   32.649  861.257   32.271  560.430   10.781  560.519   10.655 -0.8886719E-01 15.15746 
1 1 1   -3    9   54 o   84.887   14.191   21.690   6.2575   22.974   7.8449   19.444   10.376   89.104   16.911   80.670   22.794 8.434792 28.38232 
1 1 1   -3    9   55 o  239.520   12.070  158.604   15.622   0.0000   0.0000  158.604   15.622  ?   ?   239.520   12.070      ?      ? 
1 1 1   -3    9   56 o  495.210   14.925  689.865   39.937  689.865   39.937   0.0000   0.0000  495.210   14.925  ?   ?       ?      ? 
1 1 1   -3    9   57 o  138.263   9.2465   53.092   6.8557   50.615   9.0688   56.396   10.473  134.742   12.455  141.784   13.669 -7.041367 18.49291 
1 1 1   -3    9   58 o  248.566   5.8885  169.551   7.8790  169.187   11.653  169.858   10.694  248.151   8.6905  248.981   7.9482 -0.8304291 11.77701 
1 1 1   -3    9   59 o  354.327   6.0143  345.475   11.510  335.882   16.355  354.887   16.201  349.333   8.6641  359.320   8.3438 -9.986694 12.02858 
1 1 1   -3    9   60 o  300.436   5.8659  248.628   9.5089  246.474   13.792  250.580   13.128  299.030   8.5355  301.842   8.0486 -2.812042 11.73178 
1 1 1   -3    9   61 o  113.415   9.3308   36.444   5.6935   37.829   8.5156   35.324   7.6564  115.145   13.686  111.685   12.686 3.459427 18.66165 
1 1 1   -3    9   62 o  245.488   6.0343  166.641   7.9848  166.650   11.708  166.633   10.918  245.294   8.8326  245.682   8.2240 -0.3882294 12.06857 
1 1 1   -3    9   63 o   92.815   12.122   25.473   5.8280   40.248   8.9230   14.481   7.6964  118.039   13.989   67.591   19.800 50.44801 24.24317 
1 1 1   -3    9   64 o   31.230   10.707 -10.7186   5.5451 -10.5488   8.4065 -10.8495   7.3778   32.711   15.792   29.748   14.463 2.962873 21.41392 
1 1 1   -3    9   65 o   31.992   15.624 -13.8361   8.8865 -13.8361   8.8865   0.0000   0.0000   31.992   15.624  ?   ?       ?      ? 
1 1 1   -3    9   66 o  142.376   8.4864   57.372   6.4491   71.260   9.9326   47.250   8.4796  157.185   11.694  127.566   12.301 29.61985 16.97275 
1 1 1   -3    9   67 o  112.458   10.250   37.477   6.1387   47.030   9.6234   30.923   7.9710  124.355   14.321  100.561   14.669 23.79430 20.50051 
1 1 1   -3    9   68 o   76.799   14.343   20.467   6.1108   28.219   9.4858   14.968   7.9896   89.404   20.121   64.193   20.447 25.21075 28.68685 
1 1 1   -3   10    1 o  762.563   9.4227  1573.34   38.827  1573.48   54.951  1573.21   54.870  762.596   13.335  762.531   13.316 0.6481934E-01 18.84537 
1 1 1   -3   10    4 o  307.540   4.8851  255.629   8.1177  251.743   11.427  259.589   11.535  305.180   6.9291  309.900   6.8880 -4.720154 9.770168 
1 1 1   -3   10    7 o  368.285   5.3706  366.410   10.682  374.300   15.427  359.144   14.805  372.088   7.6728  364.482   7.5168 7.606506 10.74124 
1 1 1   -3   10   10 o  370.793   5.3864  371.105   10.783  357.085   14.875  386.628   15.653  363.427   7.5746  378.159   7.6601 -14.73239 10.77274 
1 1 1   -3   10   11 o  451.803   6.1322  551.939   14.969  555.229   21.359  548.763   20.986  453.123   8.7231  450.482   8.6209 2.641174 12.26433 
1 1 1   -3   10   12 o  208.202   4.5923  117.173   5.1646  117.324   7.4104  117.031   7.2017  208.331   6.5826  208.072   6.4052 0.2581940 9.184663 
1 1 1   -3   10   13 f  416.952   11.657  470.496   26.264  470.496   26.264   0.0000   0.0000  416.952   11.657  ?   ?       ?      ? 
1 1 1   -3   10   14 o  413.128   8.1365  461.661   18.153  468.694   26.214  455.180   25.163  416.141   11.657  410.116   11.354 6.024841 16.27308 
1 1 1   -3   10   15 o  534.677   9.8142  773.855   28.337  788.063   40.958  760.811   39.245  539.364   14.053  529.990   13.703 9.373840 19.62839 
1 1 1   -3   10   16 o  437.300   7.3024  515.577   16.311  511.746   19.995  523.198   28.201  434.987   8.5067  439.614   11.872 -4.627472 14.60480 
1 1 1   -3   10   17 o  282.647   4.8055  215.169   7.3224  227.915   10.819  204.394   9.9469  290.339   6.8958  274.955   6.6948 15.38379 9.611075 
1 1 1   -3   10   18 o  928.398   13.888  2344.89   65.849  2351.94   80.934  2331.08  113.258  931.298   16.082  925.498   22.647 5.800659 27.77621 
1 1 1   -3   10   19 o  405.482   8.1802  444.843   17.918  452.027   25.715  438.063   24.982  408.658   11.645  402.306   11.492 6.352081 16.36043 
1 1 1   -3   10   20 o  390.830   8.0638  413.405   17.030  412.613   24.143  414.189   24.025  390.455   11.443  391.205   11.365 -0.7497559 16.12762 
1 1 1   -3   10   21 o  424.689   8.4880  488.082   19.475  492.342   27.856  484.009   27.238  426.496   12.087  422.882   11.920 3.614410 16.97594 
1 1 1   -3   10   22 o  657.495   10.216  1167.33   33.971  1180.18   59.833  1161.21   41.268  659.897   16.779  655.094   11.658 4.802917 20.43167 
1 1 1   -3   10   23 o  787.365   9.7179  1678.26   41.346  1677.50   58.549  1679.02   58.396  787.185   13.764  787.546   13.722 -0.3611450 19.43575 
1 1 1   -3   10   24 o  577.656   7.4602  902.542   23.286  897.087   32.877  908.034   32.987  575.903   10.565  579.408   10.536 -3.505066 14.92031 
1 1 1   -3   10   25 o  1285.51   15.424  4483.67  107.139  4464.64  150.891  4503.03  152.152  1282.77   21.768  1288.25   21.857 -5.481201 30.84786 
1 1 1   -3   10   26 o  480.795   6.4862  624.978   16.851  619.843   23.783  630.156   23.880  478.811   9.1920  482.779   9.1537 -3.968170 12.97238 
1 1 1   -3   10   27 o  528.951   6.9716  756.387   19.925  745.422   27.968  767.688   28.393  525.059   9.8575  532.843   9.8611 -7.783936 13.94318 
1 1 1   -3   10   28 o  606.841   7.7790  994.882   25.490  968.658   35.237  1023.67   36.918  598.467   10.896  615.214   11.105 -16.74713 15.55794 
1 1 1   -3   10   29 o  740.095   9.2176  1482.02   36.862  1470.84   51.900  1493.39   52.366  737.280   13.027  742.909   13.044 -5.628845 18.43523 
1 1 1   -3   10   30 o  596.128   7.6962  961.060   24.788  966.158   35.401  956.156   34.719  597.674   10.961  594.581   10.806 3.092773 15.39242 
1 1 1   -3   10   31 o  385.164   5.7868  401.114   12.042  397.515   17.125  404.634   16.937  383.452   8.2650  386.875   8.1019 -3.423279 11.57369 
1 1 1   -3   10   32 o  665.507   8.4582  1197.38   30.400  1169.10   42.138  1228.08   43.901  657.326   11.863  673.688   12.059 -16.36188 16.91645 
1 1 1   -3   10   33 o  613.386   7.9268  1017.97   26.272  1007.85   36.946  1028.31   37.368  610.304   11.203  616.468   11.218 -6.163635 15.85362 
1 1 1   -3   10   34 o  220.531   5.7192  131.411   6.8130  135.224   9.7942  127.837   9.4833  223.628   8.1050  217.435   8.0713 6.193481 11.43841 
1 1 1   -3   10   35 o  281.354   5.6017  213.655   8.5048  221.143   12.427  207.057   11.664  285.980   8.0418  276.728   7.8003 9.251495 11.20335 
1 1 1   -3   10   36 o  338.984   5.8538  310.783   10.722  306.312   15.176  315.239   15.150  336.547   8.3448  341.421   8.2117 -4.874023 11.70762 
1 1 1   -3   10   37 o  1051.57   12.794  2999.97   72.675  2951.41  101.202  3051.68  104.431  1042.82   17.959  1060.32   18.227 -17.49573 25.58791 
1 1 1   -3   10   38 o  530.442   7.2231  760.280   20.684  732.544   28.496  791.166   30.070  520.242   10.136  540.642   10.293 -20.40045 14.44623 
1 1 1   -3   10   39 f   59.563   14.504   8.7139   5.6600   9.7399   8.1808   7.7719   7.8391   61.802   20.753   57.323   20.269 4.479561 29.00893 
1 1 1   -3   10   40 f   99.222   14.708   26.043   7.0776   23.452   8.3654   32.568   13.277   91.346   17.586  107.098   23.580 -15.75243 29.41555 
1 1 1   -3   10   41 o  254.204   7.6349  174.633   9.6939  173.838   11.652  176.419   17.471  253.414   8.5092  254.994   12.679 -1.579773 15.26974 
1 1 1   -3   10   42 o  349.234   7.4769  331.321   13.046  328.604   23.390  332.548   15.719  347.979   12.439  350.488   8.2997 -2.508392 14.95381 
1 1 1   -3   10   43 f  279.395   7.4748  218.956   10.442  191.689   18.056  232.656   12.799  265.662   12.578  293.128   8.0802 -27.46582 14.94952 
1 1 1   -3   10   44 o  275.417   5.7793  205.570   8.5968  198.200   12.162  212.928   12.153  270.469   8.3218  280.366   8.0217 -9.896820 11.55852 
1 1 1   -3   10   45 o  136.159   8.0816   50.320   5.9404   51.942   8.6331   48.861   8.1867  138.231   11.558  134.087   11.299 4.143753 16.16311 
1 1 1   -3   10   46 o  254.470   6.9798  171.990   8.9550  186.644   16.124  165.454   10.768  261.912   11.393  247.028   8.0672 14.88463 13.95961 
1 1 1   -3   10   47 o  116.552   11.530   37.272   7.2421   38.063   10.684   36.599   9.8504  117.633   16.808  115.470   15.787 2.163483 23.05943 
1 1 1   -3   10   48 o  100.190   13.552   28.569   7.0333   26.847   11.022   29.752   9.1346   96.362   21.691  104.018   16.251 -7.656433 27.10403 
1 1 1   -3   10   49 o  301.331   5.6277  246.729   9.1583  240.689   13.066  252.561   12.841  297.672   8.1229  304.991   7.7913 -7.318237 11.25549 
1 1 1   -3   10   50 o  303.849   5.6741  250.964   9.3143  244.195   13.138  257.803   13.207  299.710   8.1123  307.988   7.9356 -8.278534 11.34828 
1 1 1   -3   10   51 o  152.143   7.2192   63.648   5.8801   59.294   8.7476   67.238   7.9420  147.235   10.995  157.052   9.3584 -9.816925 14.43838 
1 1 1   -3   10   52 o  290.293   5.7235  229.571   8.9729  225.923   12.846  233.048   12.539  287.994   8.2543  292.591   7.9308 -4.597290 11.44694 
1 1 1   -3   10   53 o  369.546   5.9932  372.618   11.963  372.473   17.162  372.755   16.684  369.424   8.5972  369.668   8.3523 -0.2443237 11.98641 
1 1 1   -3   10   54 o   54.781   16.057   2.9904   7.9768  -1.9441   11.784   7.1644   10.838   50.166   22.156   59.396   23.247 -9.229717 32.11439 
1 1 1   -3   10   55 o  331.210   11.891  303.829   21.281   0.0000   0.0000  303.829   21.281  ?   ?   331.210   11.891      ?      ? 
1 1 1   -3   10   56 o  107.028   20.944   34.459   11.679   0.0000   0.0000   34.459   11.679  ?   ?   107.028   20.944      ?      ? 
1 1 1   -3   10   57 f  122.063   10.309   41.738   6.7428   34.932   9.1059   50.000   10.033  110.916   15.193  133.211   13.938 -22.29528 20.61753 
1 1 1   -3   10   58 o  242.028   6.0279  160.706   7.8626  164.401   11.602  157.568   10.693  244.472   8.7821  239.583   8.2593 4.888748 12.05573 
1 1 1   -3   10   59 o  312.361   5.8878  268.308   9.9126  270.507   14.572  266.415   13.523  313.359   8.6059  311.362   8.0377 1.996613 11.77566 
1 1 1   -3   10   60 o  146.516   7.7152   59.878   6.0605   61.263   9.2019   58.817   8.0540  147.720   11.528  145.312   10.257 2.408035 15.43047 
1 1 1   -3   10   61 o  196.164   6.7158  106.347   7.0639  110.178   10.750  103.435   9.3712  198.982   9.9977  193.346   8.9696 5.635818 13.43162 
1 1 1   -3   10   62 o   69.220   14.303   15.053   5.6811   17.609   8.5080   12.997   7.6317   74.106   20.536   64.335   19.914 9.770340 28.60581 
1 1 1   -3   10   63 o  142.896   8.3057   57.531   6.3602   62.894   9.7809   53.603   8.3719  148.313   12.204  137.480   11.269 10.83382 16.61146 
1 1 1   -3   10   64 o   88.519   12.748   24.392   5.8603   28.301   8.9074   21.409   7.7817   94.834   18.041   82.204   18.016 12.62962 25.49607 
1 1 1   -3   10   65 o  125.110   9.8644   46.155   6.5492   42.388   9.9575   49.027   8.6943  119.536   15.416  130.685   12.312 -11.14906 19.72880 
1 1 1   -3   10   66 o  114.911   10.502   40.068   6.3836   45.190   10.322   36.895   8.1232  119.580   15.975  110.241   13.636 9.338623 21.00350 
1 1 1   -3   10   67 o  159.003   8.1137   74.030   6.8410   70.463   10.560   76.609   8.9802  154.458   12.652  163.547   10.161 -9.088150 16.22749 
1 1 1   -3   10   68 o   78.117   14.051   22.826   6.0900   17.495   9.3575   26.743   8.0213   66.914   22.190   89.320   17.243 -22.40620 28.10192 
1 1 1   -3   11    1 o  710.227   8.8762  1363.31   34.029  1404.62   49.525  1326.36   46.837  720.388   12.722  700.066   12.381 20.32263 17.75246 
1 1 1   -3   11    3 o  808.503   14.083  1769.98   61.529   0.0000   0.0000  1769.98   61.529  ?   ?   808.503   14.083      ?      ? 
1 1 1   -3   11    5 o  325.888   7.2032  287.110   12.685   0.0000   0.0000  287.110   12.685  ?   ?   325.888   7.2032      ?      ? 
1 1 1   -3   11    6 o  735.987   9.1523  1466.19   36.397  1455.17   51.135  1477.50   51.816  733.189   12.907  738.784   12.980 -5.595154 18.30451 
1 1 1   -3   11    8 o  713.784   12.598  1379.14   48.589   0.0000   0.0000  1379.14   48.589  ?   ?   713.784   12.598      ?      ? 
1 1 1   -3   11   10 o  492.071   13.254  655.631   35.243  655.631   35.243   0.0000   0.0000  492.071   13.254  ?   ?       ?      ? 
1 1 1   -3   11   11 o  682.541   12.145  1262.54   44.766  1286.94   64.671  1240.09   62.029  688.838   17.374  676.243   16.975 12.59497 24.29002 
1 1 1   -3   11   12 o  472.149   9.0342  603.545   23.045  606.306   32.949  600.901   32.243  473.198   12.886  471.101   12.666 2.096619 18.06846 
1 1 1   -3   11   13 o  904.877   15.674  2227.23   76.642  2230.86  108.706  2223.65  108.073  905.596   22.214  904.158   22.120 1.438232 31.34898 
1 1 1   -3   11   14 o  145.446   6.6550   54.078   4.8748   49.153   5.8004   65.923   8.9953  134.817   7.9620  156.074   10.666 -21.25700 13.30992 
1 1 1   -3   11   15 o  1025.22   17.661  2865.61   97.830  2842.34  137.242  2889.64  139.489  1021.03   24.875  1029.41   25.076 -8.384399 35.32114 
1 1 1   -3   11   16 o  902.842   15.662  2217.39   76.410  2209.23  107.651  2225.68  108.474  901.181   22.106  904.504   22.194 -3.322815 31.32489 
1 1 1   -3   11   17 o  539.889   10.032  788.910   29.245  808.108   42.342  771.396   40.442  546.148   14.347  533.630   14.025 12.51721 20.06353 
1 1 1   -3   11   18 o  562.753   10.375  857.700   31.539  871.171   45.316  845.045   43.922  567.024   14.790  558.483   14.554 8.541931 20.74982 
1 1 1   -3   11   19 o  469.156   9.0657  595.826   22.981  587.162   32.281  604.730   32.724  465.698   12.828  472.615   12.814 -6.916443 18.13138 
1 1 1   -3   11   20 o  320.637   5.2293  277.236   9.0414  288.345   13.313  267.728   12.318  326.579   7.5441  314.695   7.2435 11.88391 10.45857 
1 1 1   -3   11   21 o  693.257   8.6976  1300.51   32.582  1292.25   45.883  1308.92   46.274  691.037   12.287  695.477   12.313 -4.440369 17.39520 
1 1 1   -3   11   22 o  618.756   7.8951  1035.70   26.396  1038.30   37.525  1033.16   37.139  619.521   11.209  617.991   11.121 1.529358 15.79020 
1 1 1   -3   11   23 o  478.113   6.4825  618.056   16.745  620.712   23.919  615.503   23.451  479.118   9.2387  477.109   9.0962 2.008881 12.96508 
1 1 1   -3   11   24 o  436.246   6.1252  514.523   14.438  508.912   20.408  520.146   20.430  433.863   8.7048  438.628   8.6196 -4.765137 12.25037 
1 1 1   -3   11   25 o  488.168   6.5917  644.300   17.388  638.602   24.555  650.032   24.626  486.002   9.3499  490.334   9.2942 -4.331940 13.18347 
1 1 1   -3   11   27 f  926.497   11.314  2324.03   56.639  2301.90   79.478  2346.88   80.735  922.021   15.952  930.973   16.049 -8.951294 22.62799 
1 1 1   -3   11   28 o  647.535   8.2429  1134.09   28.837  1141.47   41.216  1127.02   40.362  649.592   11.742  645.479   11.572 4.112732 16.48576 
1 1 1   -3   11   29 o  674.711   8.5349  1231.52   31.116  1234.71   44.271  1228.41   43.742  675.569   12.127  673.853   12.013 1.716125 17.06989 
1 1 1   -3   11   30 o  320.972   5.4888  278.561   9.5166  269.851   13.447  287.300   13.470  315.942   7.8765  326.002   7.6464 -10.06000 10.97758 
1 1 1   -3   11   31 o  539.818   10.138  788.177   29.571   0.0000   0.0000  788.177   29.571  ?   ?   539.818   10.138      ?      ? 
1 1 1   -3   11   32 o  825.740   10.239  1844.98   45.655  1799.21   63.137  1895.14   66.097  815.037   14.336  836.443   14.624 -21.40503 20.47845 
1 1 1   -3   11   33 o  358.502   5.8716  347.426   11.373  339.983   15.927  355.169   16.245  354.585   8.3123  362.418   8.2950 -7.833527 11.74317 
1 1 1   -3   11   34 o  170.550   6.7344   78.877   6.1895   75.051   8.9465   82.389   8.5721  166.565   9.9399  174.536   9.0890 -7.970261 13.46886 
1 1 1   -3   11   35 o  459.957   6.6130  571.426   16.424  549.206   22.698  595.846   23.794  450.588   9.3220  469.327   9.3823 -18.73907 13.22604 
1 1 1   -3   11   36 o  533.588   7.2671  769.681   20.942  749.223   29.039  791.851   30.230  526.212   10.213  540.965   10.341 -14.75256 14.53412 
1 1 1   -3   11   37 o  633.410   8.2253  1086.51   28.153  1081.27   39.805  1091.74   39.824  631.881   11.658  634.939   11.607 -3.058167 16.45070 
1 1 1   -3   11   38 o  833.929   10.368  1886.23   46.723  1876.70   65.948  1895.83   66.205  831.813   14.672  836.046   14.655 -4.233032 20.73701 
1 1 1   -3   11   39 o  744.475   9.4254  1502.00   37.900  1467.17   52.622  1539.53   54.631  735.534   13.240  753.416   13.419 -17.88208 18.85086 
1 1 1   -3   11   40 o  228.486   7.8946  135.426   9.1244  125.305   10.929  158.716   16.578  215.108   9.4020  241.865   12.685 -26.75761 15.78918 
1 1 1   -3   11   41 o  639.098   10.266  1113.51   33.301  1100.00   57.888  1120.19   40.712  635.538   16.856  642.658   11.723 -7.120300 20.53203 
1 1 1   -3   11   42 o  691.121   10.902  1315.57   38.805  1248.87   64.760  1352.93   48.470  676.450   17.717  705.792   12.709 -29.34210 21.80356 
1 1 1   -3   11   43 o  729.532   9.2818  1446.74   36.575  1415.16   50.846  1480.60   52.652  721.317   13.045  737.747   13.208 -16.42957 18.56362 
1 1 1   -3   11   44 o  305.080   5.8888  252.106   9.6881  254.435   14.190  250.073   13.259  306.371   8.5715  303.789   8.0771 2.581451 11.77755 
1 1 1   -3   11   45 o  122.350   12.454   43.168   7.6861   34.414   11.837   49.550   10.107  109.951   20.682  134.748   13.880 -24.79761 24.90798 
1 1 1   -3   11   46 o  336.068   7.9244  306.681   14.346  318.243   21.294  297.072   19.412  341.774   11.530  330.362   10.874 11.41214 15.84885 
1 1 1   -3   11   47 o  154.483   8.3156   64.824   6.9042   62.889   9.2367   67.275   10.393  151.939   11.250  157.028   12.249 -5.089539 16.63130 
1 1 1   -3   11   48 o  234.366   5.8695  148.880   7.4208  154.420   10.881  144.062   10.147  238.412   8.4459  230.320   8.1529 8.091812 11.73894 
1 1 1   -3   11   49 o  228.733   6.0146  142.463   7.4192  139.257   10.767  145.361   10.238  226.226   8.8078  231.240   8.1930 -5.014175 12.02926 
1 1 1   -3   11   50 o  372.675   5.9981  377.900   12.068  378.734   17.455  377.137   16.702  373.013   8.6600  372.337   8.3013 0.6755676 11.99612 
1 1 1   -3   11   51 o   88.248   11.552   22.226   5.3438   20.238   7.9039   23.900   7.2526   83.532   18.038   92.963   14.438 -9.430870 23.10459 
1 1 1   -3   11   52 o   87.273   11.674   21.439   5.3541   27.424   7.9927   16.568   7.2111   99.284   14.898   75.263   17.978 24.02049 23.34829 
1 1 1   -3   11   53 o  191.916   8.5183  103.653   8.1975  107.477   10.008   95.856   14.290  198.193   9.3448  185.638   14.245 12.55592 17.03669 
1 1 1   -3   11   54 o   88.584   15.125   23.045   8.5703   4.1599   12.302   40.856   11.947   57.577   23.944  119.591   18.487 -62.01480 30.25023 
1 1 1   -3   11   55 o  111.118   15.294   37.163   8.9524   31.577   12.893   42.365   12.441  101.040   23.974  121.197   18.996 -20.15646 30.58784 
1 1 1   -3   11   56 o  163.036   8.8574   70.819   7.0800   82.500   13.565   66.446   8.3001  170.860   14.693  155.211   9.8963 15.64836 17.71477 
1 1 1   -3   11   57 o  141.520   8.1931   53.566   6.1381   70.675   9.8192   42.592   7.8641  159.408   11.399  123.631   11.771 35.77680 16.38628 
1 1 1   -3   11   58 o  240.815   7.1429  160.901   9.1149  161.529   11.812  159.977   14.331  242.008   9.0322  239.622   11.068 2.385544 14.28580 
1 1 1   -3   11   59 o  107.749   9.9843   32.816   5.7853   37.159   8.6736   29.335   7.7648  114.132   14.064  101.365   14.176 12.76728 19.96870 
1 1 1   -3   11   60 o  160.547   7.4146   71.699   6.4075   74.404   9.5562   69.489   8.6367  163.114   10.842  157.980   10.117 5.134109 14.82911 
1 1 1   -3   11   61 o   68.266   14.446   13.862   5.8620   20.565   9.1083   9.1226   7.6591   80.201   20.830   56.330   20.022 23.87078 28.89287 
1 1 1   -3   11   62 o  168.635   7.3682   80.103   6.6521   77.366   10.002   82.274   8.9075  165.567   11.180  171.703   9.6004 -6.135635 14.73635 
1 1 1   -3   11   63 o   82.450   13.706   22.158   5.9814   21.524   8.9750   22.664   8.0229   80.498   20.560   84.402   18.132 -3.904472 27.41270 
1 1 1   -3   11   64 o  177.726   7.8457   91.205   7.3800   78.219   11.038  101.704   9.9247  165.038   12.377  190.415   9.6456 -25.37668 15.69133 
1 1 1   -3   11   65 o  117.067   10.471   41.415   6.5193   39.516   9.9548   42.841   8.6265  113.514   16.229  120.621   13.235 -7.106781 20.94165 
1 1 1   -3   11   66 o  223.866   6.7886  141.237   8.1117  153.670   12.680  132.624   10.554  231.426   10.140  216.305   9.0292 15.12090 13.57719 
1 1 1   -3   11   67 f   68.320   14.972   16.750   6.0864   21.841   9.4862   13.189   7.9349   76.210   21.884   60.430   20.438 15.77941 29.94348 
1 1 1   -3   12    2 o  681.328   8.5968  1252.88   31.583  1204.33   43.001  1309.74   46.539  667.060   11.930  695.595   12.382 -28.53479 17.19354 
1 1 1   -3   12    3 o  106.560   9.8513   30.716   5.6725   30.716   5.6725   0.0000   0.0000  106.560   9.8513  ?   ?       ?      ? 
1 1 1   -3   12    5 o  278.695   4.9954  209.761   7.5187  203.042   10.425  217.043   10.854  274.050   7.0401  283.340   7.0889 -9.290161 9.990747 
1 1 1   -3   12    6 o  448.345   8.8164  539.013   21.248  494.144   28.339  596.622   32.111  427.251   12.275  469.439   12.659 -42.18823 17.63285 
1 1 1   -3   12    7 o  237.796   10.975  153.018   14.102  153.018   14.102   0.0000   0.0000  237.796   10.975  ?   ?       ?      ? 
1 1 1   -3   12    8 o  196.129   11.075  104.099   11.738  104.099   11.738   0.0000   0.0000  196.129   11.075  ?   ?       ?      ? 
1 1 1   -3   12   11 o  281.632   7.0687  213.055   10.712  198.131   14.364  231.757   16.079  270.607   9.8230  292.656   10.167 -22.04907 14.13749 
1 1 1   -3   12   12 o  107.210   9.5814   32.134   5.1756   43.446   7.4354   21.502   7.2087  126.698   10.861   87.723   15.788 38.97434 19.16278 
1 1 1   -3   12   13 o  550.372   10.175  820.672   30.258  829.279   43.206  812.387   42.388  553.196   14.454  547.547   14.326 5.648926 20.35064 
1 1 1   -3   12   14 o  426.808   8.4505  493.133   19.489  492.793   27.662  493.468   27.463  426.658   11.998  426.957   11.903 -0.2989197 16.90106 
1 1 1   -3   12   15 o  921.274   15.967  2308.55   79.486  2310.81  112.558  2306.31  112.262  921.718   22.599  920.829   22.561 0.8885498 31.93337 
1 1 1   -3   12   16 o  293.158   6.1605  226.380   8.9995  247.973   16.599  217.391   10.710  302.750   10.146  283.566   6.9897 19.18390 12.32095 
1 1 1   -3   12   17 o  880.846   10.795  2102.29   51.382  2100.67   72.714  2103.91   72.617  880.504   15.283  881.188   15.251 -0.6840820 21.59022 
1 1 1   -3   12   18 o  126.698   6.2326   42.607   4.2254   51.571   6.4723   35.948   5.5780  138.100   8.6732  115.297   8.9532 22.80254 12.46529 
1 1 1   -3   12   19 o  738.264   13.017  1475.20   51.931   0.0000   0.0000  1475.20   51.931  ?   ?   738.264   13.017      ?      ? 
1 1 1   -3   12   20 o  818.598   10.123  1813.90   44.768  1832.40   64.053  1796.24   62.595  822.665   14.409  814.531   14.222 8.134033 20.24518 
1 1 1   -3   12   21 o  330.793   5.3270  295.873   9.5198  290.903   13.527  300.749   13.400  328.039   7.6313  333.548   7.4344 -5.509857 10.65394 
1 1 1   -3   12   22 o  522.789   6.9734  739.053   19.699  734.002   27.828  744.127   27.891  520.997   9.8845  524.580   9.8392 -3.582825 13.94678 
1 1 1   -3   12   23 o  617.918   7.9280  1032.64   26.471  1034.76   37.587  1030.55   37.285  618.545   11.246  617.291   11.178 1.254822 15.85594 
1 1 1   -3   12   24 o  535.510   7.1023  775.354   20.549  778.744   29.337  772.090   28.793  536.655   10.116  534.364   9.9714 2.291565 14.20461 
1 1 1   -3   12   25 o  111.042   7.2692   33.879   4.2736   30.181   6.5211   36.663   5.6581  105.633   11.424  116.450   8.9917 -10.81680 14.53837 
1 1 1   -3   12   26 o  365.801   5.6240  361.411   11.111  345.459   15.476  378.380   15.961  357.477   8.0115  374.126   7.8950 -16.64886 11.24791 
1 1 1   -3   12   27 o  333.931   5.4702  301.619   9.8640  290.223   13.995  312.868   13.905  327.655   7.9044  340.206   7.5637 -12.55084 10.94030 
1 1 1   -3   12   28 o  1226.44   14.764  4079.81   97.844  4065.91  138.029  4093.84  138.719  1224.34   20.863  1228.53   20.896 -4.191528 29.52814 
1 1 1   -3   12   29 o  287.026   7.5721  222.712   11.744   0.0000   0.0000  222.712   11.744  ?   ?   287.026   7.5721      ?      ? 
1 1 1   -3   12   30 o  638.372   8.2268  1101.34   28.358  1067.59   39.209  1138.36   41.065  628.137   11.552  648.607   11.717 -20.47015 16.45357 
1 1 1   -3   12   31 o  138.948   7.4267   52.665   5.5197   48.536   8.2146   56.065   7.4530  133.925   11.351  143.971   9.5801 -10.04564 14.85341 
1 1 1   -3   12   32 o  154.305   9.6828   64.402   8.0736   0.0000   0.0000   64.402   8.0736  ?   ?   154.305   9.6828      ?      ? 
1 1 1   -3   12   33 o  526.319   7.1897  749.394   20.447  740.489   28.823  758.415   29.011  523.170   10.196  529.469   10.140 -6.298645 14.37944 
1 1 1   -3   12   34 o  243.873   5.9461  160.568   7.8218  165.249   11.472  156.501   10.692  247.183   8.5888  240.562   8.2255 6.620972 11.89228 
1 1 1   -3   12   35 o  256.896   6.1122  178.657   8.4723  175.169   12.250  181.857   11.730  254.481   8.9081  259.310   8.3714 -4.829590 12.22438 
1 1 1   -3   12   36 o  326.570   5.9308  288.411   10.454  270.274   14.634  307.313   14.940  316.079   8.5681  337.060   8.2027 -20.98087 11.86156 
1 1 1   -3   12   37 o  752.606   9.5046  1535.01   38.649  1513.06   54.130  1557.83   55.200  747.125   13.408  758.086   13.475 -10.96051 19.00917 
1 1 1   -3   12   38 o  766.534   9.6663  1592.76   40.019  1558.15   55.550  1630.09   57.702  757.909   13.564  775.159   13.776 -17.24921 19.33252 
1 1 1   -3   12   39 o  465.239   8.4811  576.455   19.570  561.101   23.273  613.513   36.156  455.182   9.4620  475.296   14.078 -20.11365 16.96212 
1 1 1   -3   12   40 o  543.033   7.3879  799.158   21.675  799.715   30.953  798.622   30.361  543.203   10.545  542.863   10.350 0.3405151 14.77574 
1 1 1   -3   12   41 f  156.237   9.5888   61.652   7.4345   78.356   14.200   55.344   8.7260  169.645   15.490  142.829   11.306 26.81532 19.17758 
1 1 1   -3   12   42 o  404.757   6.3029  444.070   13.784  437.137   19.549  450.925   19.438  401.602   9.0080  407.913   8.8184 -6.311249 12.60590 
1 1 1   -3   12   43 o  421.185   7.7680  482.111   16.684  481.081   28.810  482.630   20.466  420.475   12.680  421.896   8.9770 -1.420624 15.53599 
1 1 1   -3   12   44 o  550.451   10.449  827.757   31.077  813.964   43.858  841.667   44.042  545.807   14.870  555.094   14.683 -9.287842 20.89769 
1 1 1   -3   12   45 o  165.086   9.3927   73.196   8.2047   80.428   13.246   68.694   10.451  171.450   14.297  158.722   12.185 12.72765 18.78534 
1 1 1   -3   12   46 o  272.500   5.9295  200.509   8.6970  212.778   13.014  190.607   11.691  279.962   8.6023  265.038   8.1631 14.92413 11.85903 
1 1 1   -3   12   47 o  122.017   8.9003   40.560   5.8221   41.820   8.8615   39.602   7.7227  123.599   13.268  120.434   11.867 3.164955 17.80054 
1 1 1   -3   12   48 o   70.691   13.554   14.517   5.3296   12.579   7.9353   16.110   7.1935   66.689   20.245   74.692   18.028 -8.002838 27.10842 
1 1 1   -3   12   49 o  375.808   6.0630  384.402   12.299  382.734   17.791  385.929   17.021  374.962   8.7806  376.655   8.3630 -1.692719 12.12601 
1 1 1   -3   12   50 o  398.449   6.2062  432.409   13.348  435.516   19.357  429.593   18.432  399.742   8.9611  397.155   8.5886 2.587372 12.41231 
1 1 1   -3   12   51 o  121.785   9.0075   41.253   5.8693   37.842   8.6956   44.108   7.9547  116.911   13.764  126.660   11.623 -9.748505 18.01498 
1 1 1   -3   12   52 o  406.867   6.3425  452.375   13.941  439.264   19.634  465.705   19.798  400.873   9.0641  412.861   8.8743 -11.98743 12.68504 
1 1 1   -3   12   53 o  234.463   9.0079  152.045   11.365  156.014   16.952  148.806   15.316  236.998   13.237  231.927   12.221 5.071274 18.01579 
1 1 1   -3   12   54 o  234.546   9.3140  152.042   11.745  167.275   17.732  140.135   15.678  244.790   13.405  224.302   12.935 20.48773 18.62806 
1 1 1   -3   12   55 o   97.805   14.442   29.889   6.4813   25.541   13.168   31.280   7.4456   89.821   25.780  105.788   13.025 -15.96713 28.88390 
1 1 1   -3   12   56 o  364.045   6.2000  364.543   12.178  357.376   17.613  371.107   16.855  360.418   9.0437  367.672   8.4836 -7.254456 12.40002 
1 1 1   -3   12   57 o  177.107   8.4639   87.304   7.3596   88.739   13.627   86.714   8.7447  176.868   14.258  177.345   9.1251 -0.4768372 16.92788 
1 1 1   -3   12   58 o  126.143   10.569   44.463   7.0078   32.140   9.2268   61.261   10.773  105.355   16.207  146.931   13.568 -41.57623 21.13702 
1 1 1   -3   12   59 o   74.833   15.249   17.905   6.5215   19.305   8.6979   16.108   9.8556   78.372   20.356   71.295   22.710 7.077255 30.49768 
1 1 1   -3   12   60 o   40.097   12.669  -2.7515   5.5965   1.8448   8.7006  -5.9954   7.3093   46.243   19.730   33.950   15.899 12.29325 25.33831 
1 1 1   -3   12   61 o  104.212   11.875   34.140   6.1609   22.995   9.1284   43.463   8.3494   84.945   20.185  123.479   12.513 -38.53439 23.74912 
1 1 1   -3   12   62 o  158.743   8.2753   73.091   6.9406   57.329   9.9396   88.091   9.6960  140.704   13.073  176.783   10.150 -36.07906 16.55068 
1 1 1   -3   12   63 o  179.410   7.4815   90.720   7.1752   93.637   11.045   88.590   9.4378  181.348   11.271  177.473   9.8413 3.874832 14.96296 
1 1 1   -3   12   64 o  142.725   9.0020   59.114   6.8517   57.041   10.435   60.686   9.0841  139.682   13.825  145.767   11.533 -6.084488 18.00401 
1 1 1   -3   12   65 o   42.705   13.001   0.7733   6.0861  -9.6136   9.5483   7.8810   7.8985   34.824   16.816   50.585   19.833 -15.76122 26.00281 
1 1 1   -3   12   66 o  191.063   7.5495  106.438   7.6483   98.646   11.709  112.237   10.101  183.536   11.806  198.590   9.4129 -15.05460 15.09901 
1 1 1   -3   13    1 o  1064.46   25.895  3090.09  148.950   0.0000   0.0000  3090.09  148.950  ?   ?   1064.46   25.895      ?      ? 
1 1 1   -3   13    7 o  418.364   11.822  473.874   26.725  473.874   26.725   0.0000   0.0000  418.364   11.822  ?   ?       ?      ? 
1 1 1   -3   13    8 o  408.854   8.2556  452.338   18.235  443.243   25.448  461.937   26.142  404.634   11.638  413.073   11.712 -8.439331 16.51124 
1 1 1   -3   13    9 o   83.384   10.073   18.333   4.3559   24.234   7.0190   14.636   5.5549   94.582   13.733   72.186   14.739 22.39558 20.14589 
1 1 1   -3   13   10 o  820.329   12.400  1831.99   52.074  1806.31   88.956  1845.39   64.230  815.380   20.190  825.277   14.403 -9.897156 24.80046 
1 1 1   -3   13   13 o  342.198   7.5846  316.618   14.025   0.0000   0.0000  316.618   14.025  ?   ?   342.198   7.5846      ?      ? 
1 1 1   -3   13   14 o  451.355   6.3012  550.966   15.368  550.520   21.846  551.403   21.623  451.172   8.9605  451.539   8.8618 -0.3663940 12.60248 
1 1 1   -3   13   15 o  103.036   7.2550   28.717   4.0370   30.064   5.7451   27.403   5.6738  105.424   10.085  100.648   10.432 4.776443 14.50999 
1 1 1   -3   13   16 o  622.400   7.9887  1047.56   26.857  1064.58   38.657  1031.68   37.339  627.277   11.405  617.524   11.190 9.752502 15.97736 
1 1 1   -3   13   17 f  488.224   6.6453  644.115   17.520  657.473   25.330  631.862   24.259  493.068   9.5070  483.380   9.2876 9.688354 13.29068 
1 1 1   -3   13   18 o  800.863   9.9192  1735.88   42.917  1756.14   61.473  1716.61   59.942  805.409   14.125  796.316   13.930 9.093018 19.83833 
1 1 1   -3   13   19 o  577.658   10.634  902.526   33.192   0.0000   0.0000  902.526   33.192  ?   ?   577.658   10.634      ?      ? 
1 1 1   -3   13   20 o  597.386   7.7441  965.042   24.994  972.828   35.760  957.606   34.947  599.737   11.034  595.036   10.869 4.701355 15.48830 
1 1 1   -3   13   21 o  542.265   10.137  795.128   29.704   0.0000   0.0000  795.128   29.704  ?   ?   542.265   10.137      ?      ? 
1 1 1   -3   13   22 o  250.368   7.1803  169.429   9.7143   0.0000   0.0000  169.429   9.7143  ?   ?   250.368   7.1803      ?      ? 
1 1 1   -3   13   23 o  252.809   5.1364  172.772   7.0152  171.908   10.015  173.604   9.8298  252.187   7.3490  253.430   7.1779 -1.243347 10.27276 
1 1 1   -3   13   25 o  900.402   11.049  2194.32   53.746  2160.07   74.997  2230.48   77.063  893.192   15.538  907.612   15.713 -14.41937 22.09846 
1 1 1   -3   13   26 o  276.599   5.4039  206.403   8.0641  190.721   11.156  223.562   11.670  265.616   7.7727  287.582   7.5095 -21.96606 10.80781 
1 1 1   -3   13   27 f  501.129   6.8538  679.083   18.558  680.672   26.448  677.542   26.046  501.703   9.7556  500.555   9.6293 1.148834 13.70752 
1 1 1   -3   13   28 o  414.375   6.1554  464.283   13.782  464.671   19.601  463.904   19.383  414.545   8.7500  414.206   8.6600 0.3390198 12.31089 
1 1 1   -3   13   29 o  413.332   6.1649  461.668   13.764  445.499   19.190  478.799   19.753  405.882   8.7497  420.781   8.6873 -14.89896 12.32985 
1 1 1   -3   13   30 o  701.775   8.9136  1332.29   33.787  1303.67   46.950  1363.04   48.660  693.971   12.520  709.580   12.691 -15.60931 17.82721 
1 1 1   -3   13   31 o  332.844   8.2833  299.568   14.898   0.0000   0.0000  299.568   14.898  ?   ?   332.844   8.2833      ?      ? 
1 1 1   -3   13   32 o  299.828   5.9158  243.268   9.5781  237.329   13.690  248.964   13.406  296.234   8.5519  303.421   8.1764 -7.186920 11.83169 
1 1 1   -3   13   33 f  582.002   7.7836  916.505   24.476  902.661   34.312  930.849   34.925  577.529   10.995  586.476   11.021 -8.946167 15.56711 
1 1 1   -3   13   34 o  657.123   8.5173  1168.68   30.236  1147.36   42.189  1191.20   43.356  650.969   11.994  663.277   12.097 -12.30804 17.03463 
1 1 1   -3   13   35 o  896.102   11.088  2179.02   53.688  2186.68   76.425  2171.55   75.439  897.639   15.756  894.565   15.606 3.073914 22.17657 
1 1 1   -3   13   36 o  170.138   7.4903   78.370   6.8690   78.374   10.078   78.367   9.3872  170.130   10.963  170.147   10.210 -0.1719666E-01 14.98069 
1 1 1   -3   13   37 o  365.293   6.1086  360.967   12.051  344.129   16.861  378.551   17.230  356.581   8.7506  374.006   8.5256 -17.42493 12.21714 
1 1 1   -3   13   38 o  378.874   7.9079  388.262   15.078  386.787   18.243  391.441   26.786  377.966   8.9319  379.782   13.052 -1.816437 15.81588 
1 1 1   -3   13   39 o  231.373   6.4570  145.449   8.0451  133.650   11.498  156.767   11.261  222.122   9.5795  240.623   8.6605 -18.50064 12.91400 
1 1 1   -3   13   40 o  472.369   8.4620  609.216   20.227  595.495   35.275  615.936   24.689  467.990   13.949  476.749   9.5834 -8.758606 16.92397 
1 1 1   -3   13   41 o  349.039   6.0796  330.286   11.454  326.162   16.539  334.086   15.877  346.918   8.8224  351.160   8.3673 -4.242279 12.15920 
1 1 1   -3   13   42 o  720.950   12.978  1425.10   50.544  1434.01   72.492  1416.67   70.508  723.027   18.554  718.874   18.151 4.152527 25.95620 
1 1 1   -3   13   43 o   95.249   14.786   27.215   7.5319   16.876   11.702   34.527   9.8413   78.203   24.729  112.294   16.218 -34.09125 29.57261 
1 1 1   -3   13   44 o  356.482   8.2059  345.075   15.714  356.306   23.698  336.261   20.993  361.505   12.131  351.458   11.054 10.04669 16.41183 
1 1 1   -3   13   45 o  389.402   6.2245  411.627   13.090  414.867   18.860  408.614   18.184  390.852   8.9297  387.951   8.6740 2.900909 12.44899 
1 1 1   -3   13   46 o  116.490   12.397   37.081   7.8034   0.0000   0.0000   37.081   7.8034  ?   ?   116.490   12.397      ?      ? 
1 1 1   -3   13   47 o   74.841   13.559   16.309   5.5200   14.520   8.1456   17.829   7.5065   71.076   20.236   78.606   18.053 -7.530045 27.11832 
1 1 1   -3   13   48 o   99.303   10.939   28.272   5.5808   23.229   8.3017   32.431   7.5383   89.911   17.717  108.694   12.835 -18.78268 21.87742 
1 1 1   -3   13   49 o  474.373   6.8312  613.863   17.500  619.823   25.236  608.341   24.290  476.522   9.8006  472.224   9.5189 4.298462 13.66239 
1 1 1   -3   13   50 o  134.265   8.2732   49.340   5.9804   52.036   8.9271   47.145   8.0552  137.515   12.014  131.015   11.378 6.500275 16.54645 
1 1 1   -3   13   51 o   88.440   12.498   22.210   5.6944   26.362   8.9731   19.410   7.3683   95.217   18.101   81.663   17.239 13.55339 24.99671 
1 1 1   -3   13   52 o  131.316   13.311   49.122   9.3900   56.239   13.537   42.523   13.036  140.846   17.786  121.786   19.809 19.05981 26.62249 
1 1 1   -3   13   53 o  293.682   8.8906  237.483   14.035  262.613   21.216  217.928   18.715  307.231   12.780  280.134   12.364 27.09708 17.78127 
1 1 1   -3   13   54 o   60.552   16.595   6.9440   8.3510  -2.1457   12.494   14.284   11.227   50.815   22.610   70.289   24.297 -19.47370 33.18988 
1 1 1   -3   13   55 o  146.012   8.2669   60.199   6.3948   54.020   9.7347   64.890   8.4816  138.826   12.977  153.199   10.246 -14.37230 16.53375 
1 1 1   -3   13   56 o   94.631   11.903   24.583   5.7831   37.559   9.4309   16.764   7.3210  114.788   15.204   74.474   18.318 40.31431 23.80625 
1 1 1   -3   13   57 o  122.586   9.5592   42.339   6.2562   44.129   9.6966   41.063   8.1885  124.398   14.425  120.774   12.547 3.624146 19.11830 
1 1 1   -3   13   58 o  207.655   8.2490  125.315   8.4533  110.045   14.877  132.596   10.273  196.198   14.032  219.112   8.6763 -22.91455 16.49806 
1 1 1   -3   13   59 o  107.798   12.459   34.863   7.0355   37.963   9.7435   31.486   10.170  114.356   15.768  101.240   19.294 13.11683 24.91736 
1 1 1   -3   13   60 o   47.279   13.107   1.1099   6.0366 -12.9549   9.3261   11.252   7.9193   33.930   16.441   60.628   20.418 -26.69781 26.21490 
1 1 1   -3   13   61 o  195.507   7.2862  107.414   7.6505  107.909   11.470  107.018   10.268  195.491   10.858  195.522   9.7188 -0.3089905E-01 14.57236 
1 1 1   -3   13   62 o  152.301   8.5564   67.238   6.9704   61.329   10.282   72.265   9.4821  145.265   13.098  159.336   11.013 -14.07164 17.11275 
1 1 1   -3   13   63 o  116.056   16.230   40.295   10.178   40.295   10.178   0.0000   0.0000  116.056   16.230  ?   ?       ?      ? 
1 1 1   -3   13   64 o  151.395   8.8136   68.890   7.0496   61.381   10.719   74.614   9.3582  142.342   13.936  160.448   10.794 -18.10580 17.62714 
1 1 1   -3   13   65 o   79.233   14.901   21.704   6.4730   25.703   9.8298   18.643   8.6010   85.550   21.336   72.916   20.806 12.63420 29.80110 
1 1 1   -3   13   66 o   68.547   12.129   16.644   6.3997  -4.1487   10.143   30.397   8.2490   39.437   18.551   97.658   15.632 -58.22096 24.25890 
1 1 1   -3   14    1 o  744.347   13.329  1503.87   53.604  1485.36   74.994  1523.20   76.646  739.683   18.763  749.011   18.937 -9.328674 26.65809 
1 1 1   -3   14    2 o  947.092   23.327  2441.44  119.380   0.0000   0.0000  2441.44  119.380  ?   ?   947.092   23.327      ?      ? 
1 1 1   -3   14    3 o  534.129   7.1349  771.620   20.588  782.723   29.522  761.109   28.726  537.863   10.158  530.395   10.023 7.468384 14.26989 
1 1 1   -3   14    4 o  591.168   7.6986  945.736   24.593  945.907   34.862  945.567   34.697  591.219   10.912  591.117   10.862 0.1021118 15.39715 
1 1 1   -3   14    5 o  223.139   5.2594  134.199   6.3311  142.546   9.2805  126.933   8.6589  229.608   7.4799  216.671   7.3956 12.93690 10.51876 
1 1 1   -3   14    6 o  398.221   8.3042  428.847   17.869   0.0000   0.0000  428.847   17.869  ?   ?   398.221   8.3042      ?      ? 
1 1 1   -3   14    8 o  850.632   10.520  1960.62   48.355  1957.04   68.378  1964.20   68.390  849.852   14.890  851.411   14.865 -1.558533 21.03988 
1 1 1   -3   14    9 o  392.827   8.2679  417.293   17.550   0.0000   0.0000  417.293   17.550  ?   ?   392.827   8.2679      ?      ? 
1 1 1   -3   14   11 o  486.194   6.6888  639.133   17.565  645.939   25.267  632.767   24.436  488.692   9.5683  483.695   9.3491 4.996552 13.37753 
1 1 1   -3   14   12 o  554.995   7.3332  833.181   21.992  826.503   31.026  839.923   31.177  552.759   10.387  557.231   10.354 -4.471619 14.66635 
1 1 1   -3   14   13 o  825.520   10.224  1845.30   45.605  1839.39   64.402  1851.26   64.590  824.192   14.461  826.848   14.456 -2.655945 20.44715 
1 1 1   -3   14   15 o  623.336   8.0431  1051.06   27.089  1057.14   38.632  1045.19   37.994  625.103   11.437  621.568   11.312 3.535156 16.08622 
1 1 1   -3   14   16 o  1498.05   17.954  6097.46  145.279  5996.73  201.961  6205.48  209.138  1485.31   25.163  1510.78   25.618 -25.46472 35.90889 
1 1 1   -3   14   17 o  564.695   7.4536  862.185   22.738  872.003   32.595  852.878   31.736  567.822   10.623  561.569   10.458 6.252930 14.90719 
1 1 1   -3   14   18 o  851.082   10.527  1960.04   48.403  1930.80   67.646  1990.72   69.288  844.586   14.822  857.577   14.952 -12.99121 21.05363 
1 1 1   -3   14   19 o  1079.52   13.102  3157.07   76.427  3148.49  107.929  3165.70  108.238  1078.05   18.527  1080.99   18.530 -2.942017 26.20330 
1 1 1   -3   14   20 o  1311.82   15.751  4666.88  111.644  4626.08  156.551  4709.12  159.262  1306.00   22.183  1317.63   22.368 -11.62671 31.50277 
1 1 1   -3   14   21 o  576.691   7.5689  899.290   23.585  888.089   33.129  910.801   33.584  573.050   10.699  580.331   10.710 -7.280823 15.13787 
1 1 1   -3   14   22 o  323.915   5.4913  283.639   9.6049  283.302   13.840  283.953   13.341  323.726   7.9116  324.104   7.6175 -0.3779297 10.98265 
1 1 1   -3   14   24 o  486.792   9.4846  640.755   24.949   0.0000   0.0000  640.755   24.949  ?   ?   486.792   9.4846      ?      ? 
1 1 1   -3   14   26 o  191.904   8.4835   99.573   8.7972   0.0000   0.0000   99.573   8.7972  ?   ?   191.904   8.4835      ?      ? 
1 1 1   -3   14   27 o  421.059   6.2607  479.125   14.240  465.395   19.851  493.681   20.439  414.849   8.8555  427.270   8.8526 -12.42093 12.52148 
1 1 1   -3   14   28 f  181.223   6.5325   88.947   6.3875   85.831   9.1812   91.871   8.8924  178.137   9.5380  184.310   8.9286 -6.173416 13.06497 
1 1 1   -3   14   29 o  682.048   8.7467  1258.77   32.231  1239.26   45.066  1279.20   46.115  676.644   12.325  687.453   12.414 -10.80902 17.49341 
1 1 1   -3   14   30 o  776.246   9.7668  1627.61   40.892  1564.72   55.811  1700.49   60.085  760.130   13.588  792.362   14.033 -32.23132 19.53350 
1 1 1   -3   14   31 o  565.599   10.747  865.692   32.846   0.0000   0.0000  865.692   32.846  ?   ?   565.599   10.747      ?      ? 
1 1 1   -3   14   32 o  523.439   7.2496  741.340   20.505  735.261   28.959  747.452   29.038  521.286   10.281  525.593   10.224 -4.307861 14.49918 
1 1 1   -3   14   33 o  538.105   7.4090  782.760   21.529  756.784   29.797  811.135   31.142  528.780   10.428  547.430   10.528 -18.64954 14.81809 
1 1 1   -3   14   34 f  739.094   9.3991  1480.12   37.531  1454.40   52.441  1507.13   53.735  732.521   13.248  745.667   13.336 -13.14581 18.79815 
1 1 1   -3   14   35 o  513.145   7.1744  712.610   19.890  695.619   27.863  730.264   28.403  506.907   10.172  519.382   10.120 -12.47476 14.34887 
1 1 1   -3   14   36 o  360.895   6.1543  352.498   12.000  344.168   16.876  361.018   17.067  356.579   8.7585  365.212   8.6480 -8.633148 12.30852 
1 1 1   -3   14   37 o  551.551   15.266  827.027   45.498   0.0000   0.0000  827.027   45.498  ?   ?   551.551   15.266      ?      ? 
1 1 1   -3   14   38 o   90.448   16.130   24.302   7.6989   27.202   9.4009   18.394   13.416   98.310   18.372   82.586   26.517 15.72433 32.25912 
1 1 1   -3   14   39 o  236.285   7.8397  150.497   9.0936  153.806   16.937  149.157   10.779  237.896   13.175  234.673   8.5001 3.223038 15.67943 
1 1 1   -3   14   40 o  357.671   7.6864  351.305   13.915  335.586   24.108  359.158   17.040  351.293   12.700  364.049   8.6619 -12.75598 15.37273 
1 1 1   -3   14   41 o  164.729   9.9886   72.038   8.5850   81.306   14.471   67.005   10.664  172.538   15.521  156.920   12.577 15.61810 19.97725 
1 1 1   -3   14   42 o  234.673   8.2675  149.726   10.361  150.676   15.938  149.031   13.636  235.192   12.541  234.154   10.777 1.037964 16.53496 
1 1 1   -3   14   43 o  138.442   8.3856   52.190   6.2505   52.813   9.2655   51.669   8.4675  139.152   12.322  137.733   11.377 1.419159 16.77126 
1 1 1   -3   14   44 o  182.808   6.8095   90.887   6.6775   90.382   10.054   91.285   8.9323  182.286   10.207  183.329   9.0166 -1.042908 13.61902 
1 1 1   -3   14   45 o  384.439   6.2046  401.363   12.869  405.728   18.781  397.500   17.668  386.352   8.9959  382.526   8.5476 3.826019 12.40918 
1 1 1   -3   14   46 o  141.207   8.0662   55.147   6.0648   49.734   9.1074   59.459   8.1296  134.743   12.508  147.670   10.188 -12.92671 16.13235 
1 1 1   -3   14   47 f  248.387   5.9999  168.611   8.0150  153.136   11.498  183.239   11.179  237.148   8.9724  259.625   7.9682 -22.47672 11.99979 
1 1 1   -3   14   48 o   85.550   12.365   21.185   5.5417   18.431   8.4888   23.230   7.3157   79.434   19.836   91.665   14.769 -12.23132 24.73094 
1 1 1   -3   14   49 o  254.189   5.9611  175.467   8.1526  183.155   12.206  169.275   10.954  259.117   8.7174  249.260   8.1330 9.857193 11.92219 
1 1 1   -3   14   50 o   39.742   12.536  -2.4807   5.4425  -2.6426   8.1415  -2.3500   7.3179   40.738   18.179   38.746   17.267 1.992001 25.07276 
1 1 1   -3   14   51 o   69.383   16.949   11.711   8.6422   21.752   11.840   0.2622   12.643   84.668   24.489   54.097   23.438 30.57061 33.89758 
1 1 1   -3   14   52 o   46.543   14.812  -8.3998   8.4858   3.5991   11.825 -21.1374   12.184   55.876   23.376   37.210   18.198 18.66593 29.62482 
1 1 1   -3   14   53 o  119.831   13.798   41.397   8.8951   44.482   13.361   38.941   11.921  123.605   20.005  116.058   19.008 7.547195 27.59519 
1 1 1   -3   14   54 o  101.864   11.586   31.360   5.9279   23.423   9.0048   37.430   7.8750   88.034   19.448  115.693   12.597 -27.65873 23.17108 
1 1 1   -3   14   55 o  144.058   8.4538   58.071   6.4688   57.166   10.064   58.708   8.4440  142.652   13.056  145.464   10.743 -2.811890 16.90769 
1 1 1   -3   14   56 o   97.152   12.116   28.936   5.9781   22.006   9.0996   34.198   7.9294   84.340   20.227  109.965   13.344 -25.62483 24.23237 
1 1 1   -3   14   57 o  146.546   8.3062   59.803   6.5305   64.832   9.9777   56.033   8.6377  151.678   12.174  141.413   11.304 10.26547 16.61234 
1 1 1   -3   14   58 o   72.391   16.654   13.343   6.8463   26.306   13.545   8.8939   7.9345   88.285   26.371   56.496   20.347 31.78942 33.30811 
1 1 1   -3   14   59 o   89.481   13.643   24.039   6.3451   32.333   10.100   18.631   8.1554  102.186   18.990   76.776   19.593 25.40994 27.28506 
1 1 1   -3   14   60 o   67.804   23.355   14.831   10.369   0.0000   0.0000   14.831   10.369  ?   ?    67.804   23.355      ?      ? 
1 1 1   -3   14   61 o   61.373   13.623   10.769   6.2144  -1.6598   9.1723   21.315   8.4492   41.963   18.963   80.782   19.564 -38.81892 27.24553 
1 1 1   -3   14   62 o  132.204   10.871   54.705   6.9426   33.807   10.123   73.266   9.5398  103.652   18.764  160.756   10.982 -57.10451 21.74159 
1 1 1   -3   14   63 o  112.085   11.479   38.676   6.8610   38.293   10.497   38.961   9.0658  110.411   17.593  113.760   14.748 -3.349098 22.95706 
1 1 1   -3   14   64 f  131.260   10.058   53.030   6.9713   45.603   10.429   59.030   9.3734  120.974   15.953  141.546   12.255 -20.57246 20.11693 
1 1 1   -3   14   65 o   65.939   14.211   13.758   6.3406   27.427   9.7434   3.7167   8.3508   87.159   20.947   44.719   19.210 42.44031 28.42232 
1 1 1   -3   15    1 o  671.855   8.5692  1221.62   31.108  1231.09   44.328  1212.44   43.667  674.416   12.163  669.295   12.074 5.120728 17.13845 
1 1 1   -3   15    2 o  468.427   6.5942  593.434   16.689  595.606   23.801  591.333   23.408  469.267   9.3862  467.587   9.2645 1.680054 13.18834 
1 1 1   -3   15    3 o  617.605   8.0696  1032.14   26.929  1035.55   38.302  1028.80   37.869  618.610   11.458  616.600   11.366 2.010071 16.13913 
1 1 1   -3   15    6 o  558.935   7.4361  845.019   22.458  835.632   31.567  854.640   31.958  555.793   10.511  562.078   10.522 -6.284790 14.87219 
1 1 1   -3   15    8 o  378.042   8.3223  386.416   17.001  386.416   17.001   0.0000   0.0000  378.042   8.3223  ?   ?       ?      ? 
1 1 1   -3   15    9 o  554.024   7.3698  830.122   22.062  819.439   30.977  841.118   31.427  550.408   10.415  557.640   10.430 -7.232544 14.73952 
1 1 1   -3   15   11 o  1043.88   12.699  2953.51   71.627  2970.36  102.007  2937.13  100.600  1046.80   18.033  1040.96   17.884 5.843506 25.39788 
1 1 1   -3   15   12 o  151.592   6.2596   62.351   5.0999   59.779   7.5240   64.538   6.9365  148.682   9.3648  154.501   8.3084 -5.818893 12.51917 
1 1 1   -3   15   14 o  635.697   11.648  1093.13   40.012  1093.13   40.012   0.0000   0.0000  635.697   11.648  ?   ?       ?      ? 
1 1 1   -3   15   15 f  1006.90   12.269  2746.02   66.756  2749.63   94.599  2742.44   94.217  1007.55   17.375  1006.24   17.328 1.311340 24.53865 
1 1 1   -3   15   16 o  537.241   7.2372  780.386   21.007  784.477   30.023  776.463   29.402  538.617   10.315  535.865   10.154 2.751343 14.47447 
1 1 1   -3   15   17 o  768.240   9.6450  1596.10   40.026  1567.35   55.734  1626.73   57.519  761.105   13.552  775.374   13.728 -14.26904 19.29007 
1 1 1   -3   15   18 o  593.043   10.992  951.165   35.225   0.0000   0.0000  951.165   35.225  ?   ?   593.043   10.992      ?      ? 
1 1 1   -3   15   20 o  349.386   5.7511  330.045   10.856  324.543   15.378  335.512   15.329  346.481   8.2135  352.292   8.0523 -5.810455 11.50222 
1 1 1   -3   15   21 o  394.660   6.0871  421.069   12.977  422.409   18.607  419.799   18.108  395.269   8.7114  394.052   8.5043 1.217010 12.17419 
1 1 1   -3   15   22 o  710.477   9.0116  1365.66   34.596  1352.39   48.625  1379.27   49.231  706.982   12.728  713.971   12.761 -6.988953 18.02330 
1 1 1   -3   15   23 o  538.570   7.2907  784.442   21.217  777.506   29.936  791.441   30.075  536.177   10.332  540.963   10.289 -4.785828 14.58134 
1 1 1   -3   15   24 o  789.066   9.8746  1682.93   42.059  1631.85   57.871  1740.10   61.230  776.416   13.794  801.717   14.134 -25.30072 19.74915 
1 1 1   -3   15   25 o  458.401   6.6147  568.226   16.384  558.746   23.035  577.930   23.307  454.531   9.3787  462.271   9.3306 -7.739410 13.22950 
1 1 1   -3   15   26 o  743.493   9.3949  1496.66   37.744  1485.97   53.181  1507.51   53.578  740.819   13.285  746.168   13.288 -5.348755 18.78981 
1 1 1   -3   15   28 o  662.565   12.100  1188.20   43.320   0.0000   0.0000  1188.20   43.320  ?   ?   662.565   12.100      ?      ? 
1 1 1   -3   15   29 o  629.785   8.2810  1071.68   28.149  1034.51   38.698  1113.45   41.023  618.221   11.584  641.349   11.837 -23.12830 16.56197 
1 1 1   -3   15   30 o  527.066   7.3582  751.657   20.956  741.914   29.561  761.500   29.711  523.629   10.448  530.502   10.364 -6.873169 14.71640 
1 1 1   -3   15   31 o  730.368   9.3262  1444.68   36.804  1425.50   51.604  1464.54   52.504  725.439   13.164  735.297   13.214 -9.858459 18.65238 
1 1 1   -3   15   32 o  301.532   6.1786  246.152   10.058  234.168   14.236  258.096   14.212  294.189   8.9551  308.875   8.5150 -14.68576 12.35712 
1 1 1   -3   15   33 o  220.038   6.6966  131.078   7.9549  129.727   11.468  132.332   11.044  218.936   9.6935  221.140   9.2420 -2.204132 13.39323 
1 1 1   -3   15   34 o  467.727   6.8694  592.276   17.360  590.485   24.721  594.018   24.384  467.022   9.7957  468.432   9.6331 -1.410736 13.73872 
1 1 1   -3   15   35 o  627.450   8.2751  1067.01   28.051  1046.98   39.181  1088.06   40.178  621.419   11.668  633.480   11.737 -12.06097 16.55012 
1 1 1   -3   15   36 o   68.169   16.653   11.744   7.6007   15.350   9.2803   4.3964   13.247   74.233   21.741   62.105   25.231 12.12769 33.30545 
1 1 1   -3   15   37 o  202.153   8.9002  110.251   9.1191  108.974   11.084  112.928   16.041  200.515   10.230  203.791   14.567 -3.276031 17.80035 
1 1 1   -3   15   38 o  192.918   9.4919  100.881   9.8949   0.0000   0.0000  100.881   9.8949  ?   ?   192.918   9.4919      ?      ? 
1 1 1   -3   15   39 o  479.143   13.204  624.775   34.186   0.0000   0.0000  624.775   34.186  ?   ?   479.143   13.204      ?      ? 
1 1 1   -3   15   40 o  368.224   8.5152  368.927   16.859  367.568   25.097  370.045   22.759  367.481   12.638  368.967   11.415 -1.486755 17.03040 
1 1 1   -3   15   41 o  522.584   8.7523  739.872   23.535  730.667   29.056  757.432   40.133  518.525   10.370  526.643   14.102 -8.118164 17.50468 
1 1 1   -3   15   42 o  268.120   6.0607  194.833   8.7372  198.124   13.072  192.175   11.746  270.106   8.9562  266.134   8.1680 3.972107 12.12149 
1 1 1   -3   15   43 o  391.690   6.3240  416.772   13.373  414.633   19.296  418.750   18.552  390.677   9.1401  392.703   8.7425 -2.025452 12.64802 
1 1 1   -3   15   44 o  379.866   6.2508  391.851   12.803  397.238   18.792  387.184   17.490  382.234   9.0980  377.498   8.5742 4.735809 12.50159 
1 1 1   -3   15   45 o  118.882   9.5974   40.415   5.8964   28.849   8.7121   50.190   8.0095  102.195   15.776  135.569   10.933 -33.37440 19.19472 
1 1 1   -3   15   46 o   42.451   13.007  -0.5810   5.4481  -1.8753   8.5613   0.2998   7.0627   43.084   18.964   41.818   17.807 1.265896 26.01376 
1 1 1   -3   15   47 o  231.749   6.2074  146.590   7.7267  143.614   11.512  149.029   10.423  229.492   9.2831  234.006   8.2432 -4.513092 12.41473 
1 1 1   -3   15   48 o  178.022   7.0039   85.750   6.6772   93.618   10.303   80.052   8.7676  184.893   10.312  171.151   9.4801 13.74232 14.00778 
1 1 1   -3   15   49 o  193.901   6.7376  103.518   7.0010   96.773   10.380  109.146   9.4824  187.886   10.224  199.916   8.7778 -12.02953 13.47512 
1 1 1   -3   15   50 o   59.234   16.913   4.7010   8.8060   11.304   11.873  -3.3716   13.128   66.900   24.763   51.568   23.044 15.33186 33.82634 
1 1 1   -3   15   51 o   99.990   16.440   31.402   9.3171   43.964   12.736   16.941   13.665  123.588   19.071   76.392   26.783 47.19651 32.87955 
1 1 1   -3   15   52 o   57.368   16.927   4.2142   8.7593   5.7658   12.079   2.4932   12.721   58.748   24.005   55.988   23.871 2.760689 33.85375 
1 1 1   -3   15   53 o  110.198   11.260   36.418   6.1866   29.004   9.7117   41.481   8.0258   98.464   18.941  121.933   12.181 -23.46924 22.51934 
1 1 1   -3   15   54 o   86.563   13.272   22.809   5.9060   21.378   9.4984   23.712   7.5410   83.242   21.091   89.885   16.118 -6.643005 26.54487 
1 1 1   -3   15   55 o  182.842   7.3169   92.993   7.1354   91.850   10.964   93.833   9.3980  181.451   11.182  184.234   9.4401 -2.783813 14.63390 
1 1 1   -3   15   56 o  257.552   6.3364  183.604   8.7641  180.867   13.082  185.833   11.805  255.465   9.4763  259.639   8.4141 -4.173462 12.67272 
1 1 1   -3   15   57 o  167.166   7.6784   77.308   6.8526   83.479   10.694   73.009   8.9257  172.432   11.478  161.899   10.203 10.53351 15.35673 
1 1 1   -3   15   58 o  221.568   6.8552  137.983   8.1215  125.559   12.017  148.430   11.019  211.721   10.504  231.415   8.8118 -19.69403 13.71038 
1 1 1   -3   15   59 f  149.510   11.312   65.852   7.7777   65.676   15.668   65.910   8.9597  145.996   19.860  153.023   10.835 -7.026291 22.62334 
1 1 1   -3   15   60 o  126.179   11.311   47.412   7.6310   39.010   10.300   57.635   11.361  113.217   16.836  139.142   15.111 -25.92494 22.62296 
1 1 1   -3   15   61 o  116.280   12.840   40.988   7.7068   30.946   10.237   54.122   11.708   98.063   19.997  134.497   16.110 -36.43414 25.67925 
1 1 1   -3   15   62 o  168.481   8.4752   82.132   7.6567   79.053   11.405   84.658   10.330  164.848   12.804  172.115   11.107 -7.267044 16.95038 
1 1 1   -3   15   63 o  138.098   9.3318   55.623   6.8533   69.087   10.903   46.828   8.8118  151.337   13.332  124.858   13.061 26.47906 18.66356 
1 1 1   -3   15   64 o   43.118   13.440   1.0062   6.3397  -4.4939   9.5933   5.2705   8.4471   38.826   18.192   47.410   19.789 -8.584126 26.88061 
1 1 1   -3   16    1 o  424.935   6.9780  502.612   14.439  454.955   26.417  522.913   17.242  410.055   11.922  439.815   7.2548 -29.75955 13.95602 
1 1 1   -3   16    3 o  247.994   5.5942  166.315   7.4907  165.094   10.790  167.452   10.407  247.112   8.0808  248.877   7.7384 -1.765381 11.18848 
1 1 1   -3   16    4 o  322.104   5.6624  280.475   9.8529  281.402   14.112  279.593   13.762  322.621   8.0950  321.587   7.9197 1.034637 11.32481 
1 1 1   -3   16    7 f  633.168   8.2751  1083.98   28.304  1060.45   39.446  1108.95   40.637  626.092   11.659  640.243   11.746 -14.15070 16.55024 
1 1 1   -3   16    9 o  504.302   6.9681  687.532   18.986  676.460   26.576  699.073   27.133  500.158   9.8333  508.447   9.8755 -8.289154 13.93624 
1 1 1   -3   16   12 o  866.427   10.720  2030.62   50.166  1991.11   69.671  2073.15   72.291  857.696   15.033  875.159   15.286 -17.46344 21.43954 
1 1 1   -3   16   13 o  1259.52   15.179  4300.96  103.300  4265.01  144.893  4338.11  147.313  1254.19   21.379  1264.86   21.553 -10.66589 30.35824 
1 1 1   -3   16   14 o  514.775   7.0710  716.531   19.668  716.536   27.952  716.526   27.681  514.775   10.049  514.775   9.9511 -0.4272461E-03 14.14207 
1 1 1   -3   16   15 f  932.367   11.486  2353.82   57.867  2355.44   82.056  2352.22   81.620  932.681   16.281  932.052   16.206 0.6291504 22.97174 
1 1 1   -3   16   17 o  716.019   9.0771  1387.06   35.119  1374.92   49.386  1399.49   49.950  712.849   12.821  719.188   12.853 -6.339111 18.15423 
1 1 1   -3   16   18 o  325.047   5.7383  285.694   10.068  284.167   14.556  287.096   13.942  324.210   8.3088  325.885   7.9170 -1.675781 11.47666 
1 1 1   -3   16   19 o  774.431   9.7320  1623.12   40.726  1622.90   57.729  1623.35   57.461  774.373   13.796  774.488   13.730 -0.1144409 19.46398 
1 1 1   -3   16   20 o  275.545   5.8331  205.366   8.6770  194.667   12.250  216.140   12.292  268.335   8.4482  282.756   8.0452 -14.42087 11.66611 
1 1 1   -3   16   21 o  258.865   5.7711  181.152   8.0659  181.536   11.654  180.799   11.175  259.124   8.3226  258.605   7.9972 0.5197754 11.54214 
1 1 1   -3   16   22 o  541.838   10.370  794.117   30.362   0.0000   0.0000  794.117   30.362  ?   ?   541.838   10.370      ?      ? 
1 1 1   -3   16   23 o  396.370   6.2306  424.917   13.343  416.892   18.889  432.909   18.851  392.631   8.9029  400.109   8.7190 -7.478546 12.46126 
1 1 1   -3   16   24 o  777.300   9.7910  1635.84   41.119  1613.32   57.538  1659.34   58.783  771.842   13.796  782.759   13.897 -10.91742 19.58201 
1 1 1   -3   16   26 o  219.088   6.5806  129.164   7.7652  137.860   11.567  122.029   10.477  225.763   9.4816  212.413   9.1277 13.34959 13.16116 
1 1 1   -3   16   27 o  800.710   10.090  1736.00   43.638  1703.86   60.681  1770.44   62.801  793.053   14.160  808.366   14.377 -15.31287 20.17941 
1 1 1   -3   16   28 o  558.752   7.7482  842.038   23.346  801.937   31.786  889.005   34.400  544.370   10.806  573.134   11.107 -28.76453 15.49646 
1 1 1   -3   16   29 f  545.234   7.6409  803.266   22.492  774.290   31.022  835.380   32.659  534.890   10.733  555.578   10.878 -20.68781 15.28176 
1 1 1   -3   16   30 o  319.092   8.8735  275.471   15.300   0.0000   0.0000  275.471   15.300  ?   ?   319.092   8.8735      ?      ? 
1 1 1   -3   16   31 f  267.697   6.3473  193.536   9.1684  200.400   13.408  187.508   12.565  272.141   9.1174  263.253   8.8331 8.887390 12.69451 
1 1 1   -3   16   32 o  800.338   14.205  1737.44   61.434   0.0000   0.0000  1737.44   61.434  ?   ?   800.338   14.205      ?      ? 
1 1 1   -3   16   33 o  196.402   7.2180  104.246   7.6171  106.645   11.452  102.342   10.201  198.400   10.682  194.403   9.7103 3.997421 14.43599 
1 1 1   -3   16   34 o   94.174   12.815   24.395   6.3427   32.751   9.4408   17.521   8.5632  109.730   15.922   78.618   20.084 31.11179 25.62965 
1 1 1   -3   16   35 o  121.214   10.466   39.945   6.8532   41.283   9.7353   38.631   9.6489  123.234   14.619  119.193   14.981 4.041084 20.93220 
1 1 1   -3   16   36 o  400.915   9.4168  434.786   20.351  407.883   27.634  466.667   30.082  387.446   13.199  414.384   13.434 -26.93787 18.83359 
1 1 1   -3   16   37 o  288.342   10.978  225.676   17.105   0.0000   0.0000  225.676   17.105  ?   ?   288.342   10.978      ?      ? 
1 1 1   -3   16   38 o  337.525   11.151  309.459   20.338   0.0000   0.0000  309.459   20.338  ?   ?   337.525   11.151      ?      ? 
1 1 1   -3   16   39 o  143.400   9.5482   55.836   7.3485   47.336   10.075   65.495   10.741  131.723   14.155  155.077   12.818 -23.35443 19.09634 
1 1 1   -3   16   40 o  376.555   6.3346  385.074   12.883  374.449   18.331  395.442   18.109  371.386   9.1345  381.724   8.7790 -10.33847 12.66923 
1 1 1   -3   16   41 o  255.241   8.3879  176.813   11.569   0.0000   0.0000  176.813   11.569  ?   ?   255.241   8.3879      ?      ? 
1 1 1   -3   16   42 o  373.734   8.5920  379.264   17.352   0.0000   0.0000  379.264   17.352  ?   ?   373.734   8.5920      ?      ? 
1 1 1   -3   16   43 o   71.460   14.352   14.026   5.7601   18.380   9.1162   11.132   7.4314   79.659   20.912   63.260   19.662 16.39936 28.70412 
1 1 1   -3   16   44 o  389.774   6.2832  413.158   13.208  418.026   19.343  408.906   18.079  391.843   9.1351  387.704   8.6293 4.138702 12.56643 
1 1 1   -3   16   45 f  152.355   7.9061   63.705   6.4164   62.163   9.8768   64.831   8.4399  150.588   12.138  154.122   10.134 -3.533676 15.81216 
1 1 1   -3   16   46 o  240.640   6.2609  158.272   8.0924  153.125   12.010  162.551   10.952  236.921   9.3809  244.360   8.2942 -7.438828 12.52176 
1 1 1   -3   16   47 o  193.908   6.9259  100.755   7.1777  118.154   11.199   88.626   9.3506  207.781   9.9746  180.036   9.6115 27.74438 13.85188 
1 1 1   -3   16   48 o  116.143   14.741   48.698   7.9862   63.762   9.7862   18.664   13.818  152.107   11.906   80.178   26.971 71.92910 29.48231 
1 1 1   -3   16   49 o   66.714   17.767   10.496   8.9604   14.971   12.087   5.0360   13.351   72.869   25.209   60.558   25.044 12.31151 35.53456 
1 1 1   -3   16   50 o   82.519   16.970   19.742   8.8199   7.9775   12.223   32.523   12.739   62.052   24.563  102.985   23.421 -40.93348 33.93950 
1 1 1   -3   16   51 o  114.288   12.957   39.407   6.9304   34.797   12.658   41.381   8.2822  106.673   22.658  121.903   12.573 -15.22971 25.91301 
1 1 1   -3   16   52 o  118.912   10.054   41.589   6.1558   30.163   9.2111   50.810   8.2751  102.587   16.616  135.238   11.324 -32.65089 20.10783 
1 1 1   -3   16   53 o   98.563   12.034   28.058   6.1903   30.222   9.6570   26.549   8.0653  100.632   18.438   96.494   15.468 4.138016 24.06728 
1 1 1   -3   16   54 o  228.354   6.6942  144.197   8.1498  143.985   12.579  144.351   10.699  227.779   10.220  228.929   8.6487 -1.149612 13.38842 
1 1 1   -3   16   55 o  174.333   7.5709   84.483   7.0680   87.176   10.806   82.470   9.3437  176.418   11.336  172.249   10.039 4.169281 15.14186 
1 1 1   -3   16   56 o  101.450   12.216   31.759   6.2496   25.366   9.7164   36.270   8.1621   90.005   20.443  112.894   13.380 -22.88901 24.43251 
1 1 1   -3   16   57 o  204.737   7.2091  116.512   7.9042  121.641   12.112  112.707   10.432  208.254   10.763  201.221   9.5939 7.033218 14.41828 
1 1 1   -3   16   58 o  178.723   7.7885   89.762   7.4709   92.098   11.293   87.944   9.9627  180.395   11.585  177.052   10.413 3.342712 15.57701 
1 1 1   -3   16   59 o  153.985   11.410   75.927   7.9838   60.901   15.219   81.633   9.3778  138.008   20.407  169.962   10.211 -31.95453 22.81910 
1 1 1   -3   16   60 o  153.140   19.893   73.829   16.462   73.829   16.462   0.0000   0.0000  153.140   19.893  ?   ?       ?      ? 
1 1 1   -3   16   61 o   44.986   14.275  -1.4488   7.3812   3.0646   10.112  -6.5968   10.799   48.921   21.079   41.051   19.256 7.870670 28.55016 
1 1 1   -3   16   62 o   56.005   13.231   0.3797   6.7866   26.078   10.256 -19.6404   9.0521   83.512   22.305   28.497   14.239 55.01532 26.46229 
1 1 1   -3   16   63 o  115.775   10.974   41.256   6.7682   42.884   10.530   40.110   8.8351  116.526   16.723  115.024   14.215 1.501732 21.94796 
1 1 1   -3   17    1 o  434.524   7.5987  514.118   16.942  499.324   28.700  522.030   20.989  429.628   12.362  439.421   8.8395 -9.793274 15.19745 
1 1 1   -3   17    2 o  831.038   10.359  1868.21   46.503  1834.51   64.705  1904.21   66.879  823.301   14.544  838.775   14.755 -15.47430 20.71855 
1 1 1   -3   17    3 o  895.767   11.065  2172.21   53.560  2173.82   75.895  2170.61   75.597  896.095   15.674  895.438   15.624 0.6564331 22.13057 
1 1 1   -3   17    4 o  801.999   10.035  1740.51   43.489  1727.90   61.196  1753.36   61.814  799.068   14.173  804.930   14.212 -5.861755 20.07075 
1 1 1   -3   17    5 o  571.013   7.6419  881.430   23.571  893.402   33.874  870.191   32.820  574.766   10.906  567.260   10.707 7.505859 15.28373 
1 1 1   -3   17    6 o  992.818   12.147  2668.99   65.160  2688.09   92.973  2650.54   91.349  996.297   17.269  989.339   17.087 6.958740 24.29415 
1 1 1   -3   17    7 o  512.127   9.9738  709.167   27.601   0.0000   0.0000  709.167   27.601  ?   ?   512.127   9.9738      ?      ? 
1 1 1   -3   17    8 o  321.708   8.2209  279.776   14.291   0.0000   0.0000  279.776   14.291  ?   ?   321.708   8.2209      ?      ? 
1 1 1   -3   17   10 o  399.966   6.2292  432.286   13.458  439.586   19.358  425.458   18.722  403.231   8.8843  396.702   8.7339 6.528442 12.45836 
1 1 1   -3   17   11 o  502.893   6.9961  683.777   19.011  673.673   26.731  694.117   27.042  499.133   9.9107  506.652   9.8774 -7.518433 13.99228 
1 1 1   -3   17   12 o  360.423   8.3646  351.193   16.291   0.0000   0.0000  351.193   16.291  ?   ?   360.423   8.3646      ?      ? 
1 1 1   -3   17   14 o  588.289   7.8011  935.195   24.786  910.416   34.367  962.053   35.780  580.179   10.962  596.398   11.103 -16.21838 15.60229 
1 1 1   -3   17   15 o  167.478   7.0604   75.702   6.3827   71.259   8.8209   80.584   9.2472  162.329   10.056  172.626   9.9132 -10.29718 14.12074 
1 1 1   -3   17   16 o  736.633   9.3700  1468.06   37.293  1447.07   52.256  1489.84   53.238  731.270   13.224  741.995   13.278 -10.72528 18.74001 
1 1 1   -3   17   17 o  706.242   9.0350  1349.01   34.470  1325.35   48.054  1374.09   49.474  699.872   12.706  712.612   12.848 -12.74030 18.06993 
1 1 1   -3   17   18 o  963.918   16.761  2517.14   87.304   0.0000   0.0000  2517.14   87.304  ?   ?   963.918   16.761      ?      ? 
1 1 1   -3   17   20 o   75.742   13.532   15.779   5.8811   24.399   8.5042   7.8788   8.1418   93.365   17.499   58.118   20.645 35.24633 27.06373 
1 1 1   -3   17   21 o  293.864   6.1010  233.486   9.6828  234.759   13.942  232.301   13.458  294.633   8.7573  293.095   8.4971 1.538391 12.20207 
1 1 1   -3   17   22 o  764.257   9.6980  1578.80   40.001  1526.02   54.928  1638.40   58.368  750.704   13.541  777.810   13.887 -27.10614 19.39593 
1 1 1   -3   17   23 o  112.801   16.203   34.485   9.8763   34.485   9.8763   0.0000   0.0000  112.801   16.203  ?   ?       ?      ? 
1 1 1   -3   17   24 o  419.887   6.6530  476.769   15.091  481.382   21.628  472.391   21.068  421.862   9.4875  417.912   9.3294 3.950104 13.30605 
1 1 1   -3   17   25 o  960.531   11.856  2501.22   61.521  2458.53   85.759  2546.49   88.304  952.111   16.669  968.951   16.865 -16.84015 23.71245 
1 1 1   -3   17   26 f  814.113   14.481  1795.85   63.706   0.0000   0.0000  1795.85   63.706  ?   ?   814.113   14.481      ?      ? 
1 1 1   -3   17   27 o  1015.77   12.485  2793.76   68.410  2696.47   93.466  2906.02  100.399  996.843   17.352  1034.69   17.957 -37.85138 24.97052 
1 1 1   -3   17   28 o  613.605   8.2330  1018.88   27.287  991.808   37.954  1047.84   39.260  605.180   11.606  622.030   11.680 -16.85004 16.46591 
1 1 1   -3   17   29 f  233.257   6.8486  147.605   8.6115  139.477   12.374  155.239   11.992  226.998   10.088  239.516   9.2657 -12.51753 13.69727 
1 1 1   -3   17   30 o   51.410   14.940   2.2956   6.6564   1.5032   9.8279   2.9672   9.0475   51.310   21.375   51.510   20.878 -0.2005081 29.87947 
1 1 1   -3   17   31 o  243.533   9.2077  160.557   12.117   0.0000   0.0000  160.557   12.117  ?   ?   243.533   9.2077      ?      ? 
1 1 1   -3   17   32 f  266.633   6.5275  192.725   9.3836  177.156   13.227  208.501   13.314  255.757   9.5706  277.509   8.8789 -21.75148 13.05494 
1 1 1   -3   17   33 f  124.635   10.205   42.743   6.7784   35.569   9.7637   49.417   9.4177  114.341   15.802  134.928   12.917 -20.58703 20.40985 
1 1 1   -3   17   34 o  485.324   8.8445  628.599   21.271  666.667   39.323  612.854   25.290  495.091   14.699  475.557   9.8416 19.53384 17.68908 
1 1 1   -3   17   35 o  177.252   17.744   85.856   16.995   85.856   16.995   0.0000   0.0000  177.252   17.744  ?   ?       ?      ? 
1 1 1   -3   17   36 o  115.365   18.001   36.441   11.222   0.0000   0.0000   36.441   11.222  ?   ?   115.365   18.001      ?      ? 
1 1 1   -3   17   37 o  368.440   8.6552  369.936   17.190  358.333   24.959  380.405   23.709  362.832   12.730  374.048   11.730 -11.21613 17.31050 
1 1 1   -3   17   38 o  201.697   9.1831  110.401   10.009   0.0000   0.0000  110.401   10.009  ?   ?   201.697   9.1831      ?      ? 
1 1 1   -3   17   39 o  253.843   6.3335  175.538   8.6541  166.669   12.601  183.456   11.906  247.689   9.4150  259.998   8.4743 -12.30933 12.66709 
1 1 1   -3   17   40 o  288.970   6.1583  226.895   9.5671  224.856   14.233  228.575   12.922  287.712   9.1549  290.229   8.2393 -2.517273 12.31659 
1 1 1   -3   17   41 o  406.261   6.4829  448.836   14.225  437.751   20.261  459.610   19.975  401.265   9.3443  411.257   8.9886 -9.991943 12.96575 
1 1 1   -3   17   42 o  340.874   8.3830  315.804   15.441   0.0000   0.0000  315.804   15.441  ?   ?   340.874   8.3830      ?      ? 
1 1 1   -3   17   43 o  102.639   11.488   30.793   5.9446   23.753   9.0867   36.061   7.8600   90.617   19.156  114.662   12.686 -24.04541 22.97587 
1 1 1   -3   17   44 o  211.328   6.6411  122.394   7.5400  113.343   10.995  130.430   10.360  203.791   9.9844  218.865   8.7596 -15.07437 13.28225 
1 1 1   -3   17   45 o   82.617   12.879   21.347   5.9663   8.4245   9.1416   30.936   7.8746   59.371   21.771  105.863   13.766 -46.49203 25.75763 
1 1 1   -3   17   46 o  247.367   6.2679  164.233   8.2923  187.127   12.906  148.139   10.821  261.723   9.1259  233.012   8.5944 28.71118 12.53581 
1 1 1   -3   17   47 o  249.407   9.3092  172.663   12.509  185.540   17.566  159.414   17.818  259.144   12.545  239.671   13.758 19.47314 18.61833 
1 1 1   -3   17   48 o   56.206   16.601   3.3212   8.4860   5.9752   11.512   0.1629   12.558   58.670   23.631   53.742   23.322 4.927471 33.20126 
1 1 1   -3   17   49 o   81.903   17.264   19.966   8.9355   30.653   12.562   9.0225   12.712   99.756   23.662   64.050   25.146 35.70604 34.52875 
1 1 1   -3   17   50 o   92.594   13.781   19.536   6.5342   44.820   12.753   10.537   7.6088  124.462   18.962   60.726   20.003 63.73568 27.56250 
1 1 1   -3   17   51 o   41.508   12.828  -3.9112   5.6492   4.9042   8.9559  -9.7366   7.2803   51.952   20.872   31.064   14.920 20.88866 25.65588 
1 1 1   -3   17   52 f   49.604   14.193   3.8736   5.8167   6.2575   9.1855   2.2777   7.5156   54.283   21.355   44.926   18.702 9.356903 28.38645 
1 1 1   -3   17   53 o   74.598   14.085   16.089   6.0028   25.431   9.3397   9.5145   7.8355   91.160   19.547   58.036   20.285 33.12435 28.16989 
1 1 1   -3   17   54 o  178.220   7.4648   88.218   7.1147   90.965   10.936   86.203   9.3683  180.253   11.228  176.188   9.8400 4.065170 14.92956 
1 1 1   -3   17   55 o  124.927   9.7163   43.356   6.4717   53.182   10.164   36.655   8.3929  136.498   13.780  113.356   13.702 23.14230 19.43258 
1 1 1   -3   17   56 o  104.069   11.780   31.114   6.5065   36.464   10.466   27.745   8.3068  110.722   17.493   97.417   15.780 13.30489 23.55900 
1 1 1   -3   17   57 o  142.796   9.3624   58.675   7.1660   56.960   10.725   60.057   9.6314  140.317   14.145  145.275   12.269 -4.957733 18.72476 
1 1 1   -3   17   58 o  165.606   8.2807   78.157   7.3602   82.003   11.170   75.205   9.7849  168.745   12.250  162.466   11.146 6.279099 16.56140 
1 1 1   -3   17   59 o  153.632   8.8751   67.037   7.3051   75.365   11.266   60.995   9.5961  161.473   12.911  145.790   12.181 15.68304 17.75020 
1 1 1   -3   17   60 o  146.226   12.529   65.230   8.9067   66.374   16.517   64.761   10.576  143.131   21.355  149.320   13.108 -6.189133 25.05717 
1 1 1   -3   17   61 o  194.617   7.8953  112.118   8.1526  103.189   12.407  118.902   10.815  186.041   12.342  203.193   9.8498 -17.15161 15.79060 
1 1 1   -3   17   62 o   58.057   15.992   9.4079   7.7288   1.3991   10.551   18.680   11.353   46.235   20.660   69.879   24.417 -23.64368 31.98484 
1 1 1   -3   17   63 o   47.147   14.250   3.8736   6.4399   10.701   10.203  -0.6468   8.3026   55.147   22.235   39.147   17.828 16.00043 28.49969 
1 1 1   -3   18    1 o  655.247   9.6253  1180.23   30.358  1121.17   57.347  1203.22   35.782  643.438   16.494  667.056   9.9270 -23.61816 19.25054 
1 1 1   -3   18    2 o  1165.00   17.207  3710.39  103.277  3601.35  173.347  3770.40  128.591  1150.73   27.878  1179.27   20.179 -28.54260 34.41471 
1 1 1   -3   18    3 o  346.804   8.5588  325.161   16.039  325.161   16.039   0.0000   0.0000  346.804   8.5588  ?   ?       ?      ? 
1 1 1   -3   18    5 o  234.701   5.9562  148.979   7.5496  146.873   10.813  150.981   10.545  233.079   8.5857  236.322   8.2577 -3.242584 11.91230 
1 1 1   -3   18    6 o  396.507   6.3244  425.154   13.548  417.025   19.212  433.196   19.108  392.733   9.0527  400.282   8.8341 -7.548828 12.64883 
1 1 1   -3   18    7 o  642.107   8.4253  1115.29   29.231  1119.77   41.652  1110.94   41.033  643.374   11.981  640.841   11.849 2.533020 16.85059 
1 1 1   -3   18    8 f  192.766   6.5221  100.511   6.7907   97.476   9.6303  103.512   9.5770  189.868   9.3864  195.664   9.0580 -5.795486 13.04420 
1 1 1   -3   18    9 o  601.670   7.9949  979.186   25.993  971.236   36.734  987.159   36.785  599.222   11.345  604.119   11.268 -4.896545 15.98987 
1 1 1   -3   18   10 o  534.657   7.3516  771.849   21.221  743.086   29.283  803.662   30.797  524.187   10.338  545.128   10.455 -20.94122 14.70322 
1 1 1   -3   18   11 o  414.211   8.9764  463.886   20.092   0.0000   0.0000  463.886   20.092  ?   ?   414.211   8.9764      ?      ? 
1 1 1   -3   18   12 o  590.339   7.9222  942.635   25.271  943.865   35.888  941.425   35.591  590.719   11.243  589.959   11.164 0.7592773 15.84441 
1 1 1   -3   18   13 o  827.541   10.365  1849.71   46.271  1785.19   63.265  1923.92   67.848  812.086   14.417  842.996   14.894 -30.90948 20.72904 
1 1 1   -3   18   15 o  478.180   6.9427  617.854   17.932  596.952   24.946  640.200   25.793  469.819   9.8263  486.541   9.8107 -16.72205 13.88544 
1 1 1   -3   18   16 o  846.206   10.570  1938.00   48.311  1898.95   67.074  1980.10   69.643  837.370   14.823  855.042   15.073 -17.67206 21.14069 
1 1 1   -3   18   18 o  357.967   8.7618  346.534   16.948   0.0000   0.0000  346.534   16.948  ?   ?   357.967   8.7618      ?      ? 
1 1 1   -3   18   20 o  1056.04   18.290  3025.08  104.373   0.0000   0.0000  3025.08  104.373  ?   ?   1056.04   18.290      ?      ? 
1 1 1   -3   18   21 o  436.821   6.8003  516.095   16.049  503.572   22.599  528.839   22.797  431.471   9.6926  442.171   9.5410 -10.70035 13.60065 
1 1 1   -3   18   22 o  566.499   7.8297  868.090   23.963  847.587   33.470  889.651   34.323  559.640   11.068  573.358   11.078 -13.71777 15.65948 
1 1 1   -3   18   23 o  153.442   12.847   63.758   10.652   0.0000   0.0000   63.758   10.652  ?   ?   153.442   12.847      ?      ? 
1 1 1   -3   18   24 o  669.883   8.7895  1214.92   31.815  1202.09   44.770  1228.01   45.220  666.310   12.434  673.456   12.426 -7.146362 17.57897 
1 1 1   -3   18   25 o  444.426   6.9278  533.028   16.616  503.851   22.826  565.908   24.232  431.525   9.7892  457.327   9.8057 -25.80173 13.85569 
1 1 1   -3   18   26 o  291.541   6.5563  230.132   10.319  226.480   14.858  233.535   14.341  289.294   9.5045  293.788   9.0336 -4.494232 13.11263 
1 1 1   -3   18   27 o  318.273   6.4846  273.192   11.125  286.533   16.452  261.955   15.099  325.398   9.3567  311.149   8.9806 14.24969 12.96917 
1 1 1   -3   18   28 o  333.232   8.8751  300.478   15.981   0.0000   0.0000  300.478   15.981  ?   ?   333.232   8.8751      ?      ? 
1 1 1   -3   18   29 o   69.572   15.125   12.246   6.8011   4.0509   9.6368   20.378   9.5998   54.389   21.721   84.756   21.055 -30.36710 30.25090 
1 1 1   -3   18   30 o  131.645   10.250   46.822   7.2681   50.349   10.822   43.924   9.8099  136.126   14.712  127.164   14.276 8.961388 20.49988 
1 1 1   -3   18   31 o  166.117   8.4900   74.773   7.6160   77.100   11.016   72.642   10.541  168.586   12.093  163.648   11.920 4.937683 16.97991 
1 1 1   -3   18   32 o  316.310   9.0123  268.215   15.151  290.090   24.054  253.829   19.507  326.756   13.623  305.865   11.802 20.89096 18.02462 
1 1 1   -3   18   33 o  258.922   9.5113  184.570   13.111  165.586   19.669  199.752   17.589  246.622   14.759  271.222   12.001 -24.59941 19.02255 
1 1 1   -3   18   34 o  127.905   24.514   46.689   16.326   46.689   16.326   0.0000   0.0000  127.905   24.514  ?   ?       ?      ? 
1 1 1   -3   18   35 o   80.024   15.818   18.355   7.5285   25.459   10.149   9.6622   11.226   94.437   20.477   65.610   24.116 28.82658 31.63674 
1 1 1   -3   18   36 o  204.715   8.5062  119.510   8.6939   98.581   14.782  130.578   10.750  190.039   14.395  219.392   9.0675 -29.35283 17.01247 
1 1 1   -3   18   37 o   74.672   14.219   16.232   6.2858   7.6856   9.4297   23.066   8.4325   59.315   22.046   90.029   17.963 -30.71416 28.43761 
1 1 1   -3   18   38 o  242.575   6.5325  160.368   8.5209  153.852   12.534  165.966   11.618  237.904   9.7503  247.246   8.6962 -9.342224 13.06491 
1 1 1   -3   18   39 o  179.773   7.3782   88.153   7.1242   86.023   10.603   89.905   9.6190  177.711   11.042  181.835   9.7896 -4.123703 14.75648 
1 1 1   -3   18   40 o  169.159   7.7774   79.020   6.9918   71.554   10.590   84.789   9.3091  161.819   12.111  176.498   9.7607 -14.67886 15.55480 
1 1 1   -3   18   41 o  197.916   6.9550  106.606   7.3985  108.165   11.084  105.353   9.9361  199.137   10.300  196.695   9.3483 2.441986 13.91007 
1 1 1   -3   18   42 o  125.887   9.4395   43.892   6.3278   41.350   9.6444   45.814   8.3850  122.455   14.575  129.318   11.999 -6.862480 18.87894 
1 1 1   -3   18   43 o  188.664   7.2270   98.017   7.2536   92.241   11.094  102.329   9.5866  183.568   11.184  193.760   9.1561 -10.19273 14.45398 
1 1 1   -3   18   44 o  302.087   6.2043  249.012   10.114  246.333   14.650  251.452   13.979  300.453   9.0237  303.722   8.5174 -3.269196 12.40856 
1 1 1   -3   18   45 o  123.491   14.126   44.702   8.2769   45.702   9.8912   42.365   15.117  128.286   14.269  118.697   24.385 9.588501 28.25289 
1 1 1   -3   18   46 o  182.193   10.837   93.764   10.535  107.140   14.632   79.369   15.179  196.410   13.787  167.977   16.723 28.43262 21.67336 
1 1 1   -3   18   47 o  233.749   9.5928  152.442   12.092  160.405   16.917  144.122   17.291  240.273   13.029  227.225   14.083 13.04880 19.18559 
1 1 1   -3   18   48 o  183.913   8.5935   93.103   7.9225   96.036   14.216   91.781   9.5416  185.093   14.213  182.732   9.6631 2.360764 17.18704 
1 1 1   -3   18   49 o  107.732   10.523   32.156   6.0640   37.442   9.4238   28.421   7.9221  115.059   15.157  100.405   14.601 14.65392 21.04615 
1 1 1   -3   18   50 o   81.397   13.569   19.349   5.8532   25.577   9.1604   15.052   7.6092   92.256   19.008   70.538   19.371 21.71763 27.13899 
1 1 1   -3   18   51 o  100.682   11.656   29.778   6.0129   28.272   9.5029   30.784   7.7651   96.960   18.816  104.405   13.764 -7.445618 23.31284 
1 1 1   -3   18   52 o   48.840   14.057   2.6962   5.8483   8.3376   9.3542  -0.9241   7.4935   57.473   21.829   40.208   17.718 17.26531 28.11465 
1 1 1   -3   18   53 o  112.146   11.449   37.950   6.4812   31.849   10.090   42.234   8.4562  102.151   18.979  122.141   12.812 -19.98991 22.89860 
1 1 1   -3   18   54 o  150.858   8.6340   64.884   6.9182   59.751   10.531   68.781   9.1762  144.870   13.452  156.846   10.827 -11.97644 17.26805 
1 1 1   -3   18   55 o  139.161   9.3012   56.455   6.8125   48.671   10.380   62.345   9.0291  129.529   14.830  148.794   11.230 -19.26489 18.60238 
1 1 1   -3   18   56 o  150.783   8.8450   65.722   7.0621   59.169   10.754   70.691   9.3644  143.148   13.902  158.418   10.939 -15.26956 17.69000 
1 1 1   -3   18   57 o  111.435   11.750   37.375   7.0323   40.193   10.666   35.209   9.3529  114.679   17.213  108.191   15.998 6.487885 23.49919 
1 1 1   -3   18   58 o  141.732   9.5625   58.039   7.2986   64.722   10.804   52.428   9.8990  149.286   13.393  134.179   13.653 15.10655 19.12492 
1 1 1   -3   18   59 o   61.462   15.649   12.087   6.8224   8.0130   10.607   14.962   8.9098   55.950   22.631   66.973   21.620 -11.02302 31.29866 
1 1 1   -3   18   60 o   96.445   13.895   31.981   6.9115   33.662   10.745   30.795   9.0268   96.982   21.103   95.909   18.081 1.073196 27.78941 
1 1 1   -3   18   61 o   82.247   16.853   27.497   7.9823   19.847   16.694   29.764   9.0886   69.397   28.273   95.096   18.352 -25.69931 33.70685 
1 1 1   -3   18   62 o  124.674   12.560   52.331   8.0987   59.771   11.241   44.302   11.678  137.436   15.136  111.912   20.048 25.52340 25.12005 
1 1 1   -3   19    1 o  697.744   10.869  1310.57   38.364  1339.64   67.725  1296.83   46.554  703.156   17.824  692.331   12.444 10.82458 21.73808 
1 1 1   -3   19    2 o  273.463   6.9955  205.190   10.066  188.063   15.798  216.897   13.061  263.685   11.087  283.242   8.5336 -19.55688 13.99092 
1 1 1   -3   19    3 o  869.536   10.851  2046.09   50.964  2012.85   70.861  2081.70   73.352  862.241   15.209  876.831   15.481 -14.59027 21.70196 
1 1 1   -3   19    4 o  512.707   7.2288  710.252   20.017  690.830   27.775  731.243   28.874  505.423   10.170  519.992   10.276 -14.56830 14.45751 
1 1 1   -3   19    6 o  296.140   6.1720  236.224   9.8522  249.395   14.574  225.138   13.370  303.710   8.8801  288.569   8.5744 15.14047 12.34409 
1 1 1   -3   19    8 o  1031.75   17.912  2884.91   99.863   0.0000   0.0000  2884.91   99.863  ?   ?   1031.75   17.912      ?      ? 
1 1 1   -3   19   10 o  568.368   10.969  873.873   33.687   0.0000   0.0000  873.873   33.687  ?   ?   568.368   10.969      ?      ? 
1 1 1   -3   19   11 o  731.769   9.4069  1449.32   37.194  1435.56   52.194  1463.51   53.016  728.245   13.263  735.292   13.343 -7.046570 18.81381 
1 1 1   -3   19   13 f  306.228   6.2748  253.585   10.383  251.920   14.611  255.284   14.757  305.213   8.8593  307.242   8.8885 -2.029724 12.54960 
1 1 1   -3   19   14 o  623.797   8.3473  1053.11   28.136  1054.45   39.969  1051.79   39.614  624.188   11.850  623.406   11.759 0.7811279 16.69457 
1 1 1   -3   19   15 f  663.667   8.7515  1190.96   31.364  1158.20   43.393  1226.79   45.385  654.132   12.276  673.202   12.476 -19.06934 17.50308 
1 1 1   -3   19   16 o  798.141   10.141  1722.12   43.684  1663.61   59.977  1788.23   63.751  783.753   14.162  812.529   14.520 -28.77655 20.28263 
1 1 1   -3   19   18 o  410.509   6.7422  455.945   14.952  448.022   21.262  463.697   21.030  406.973   9.6681  414.045   9.3997 -7.071655 13.48432 
1 1 1   -3   19   19 o   78.151   15.915   16.519   7.2474   22.380   10.613   11.397   9.9211   88.983   22.156   67.318   22.853 21.66535 31.83007 
1 1 1   -3   19   20 o  413.307   6.7676  461.998   15.112  467.691   21.636  456.576   21.115  415.789   9.6298  410.825   9.5116 4.964508 13.53528 
1 1 1   -3   19   21 o  655.393   12.253  1162.94   43.396   0.0000   0.0000  1162.94   43.396  ?   ?   655.393   12.253      ?      ? 
1 1 1   -3   19   22 o  390.483   6.7343  412.621   14.205  401.695   20.120  423.480   20.058  385.320   9.6632  395.646   9.3821 -10.32623 13.46854 
1 1 1   -3   19   23 o   83.514   15.375   19.888   7.1881   13.632   10.462   25.482   9.8924   71.985   23.444   95.043   19.900 -23.05753 30.75077 
1 1 1   -3   19   24 o  1045.95   12.869  2971.01   72.686  2906.02  100.577  3042.07  105.162  1034.06   18.000  1057.85   18.397 -23.79102 25.73795 
1 1 1   -3   19   25 o  163.890   8.7442   72.783   7.7307   72.630   11.260   72.919   10.633  163.714   12.728  164.066   11.993 -0.3519440 17.48844 
1 1 1   -3   19   26 o  101.507   14.222   29.172   7.5103   26.829   10.898   31.292   10.365   97.334   21.311  105.680   18.841 -8.345718 28.44500 
1 1 1   -3   19   27 o  150.687   13.379   61.619   10.894   0.0000   0.0000   61.619   10.894  ?   ?   150.687   13.379      ?      ? 
1 1 1   -3   19   28 o  131.772   10.496   47.338   7.4205   45.823   11.077   48.571   9.9944  129.803   15.793  133.740   13.829 -3.937225 20.99209 
1 1 1   -3   19   29 o  508.473   15.359  703.153   42.201  703.153   42.201   0.0000   0.0000  508.473   15.359  ?   ?       ?      ? 
1 1 1   -3   19   30 o  232.475   10.309  148.056   12.717  140.811   19.688  153.243   16.659  227.403   16.022  237.547   12.978 -10.14410 20.61874 
1 1 1   -3   19   31 o   92.249   18.678   24.822   9.9104   17.288   16.154   29.369   12.550   83.173   29.122  101.325   23.394 -18.15150 37.35507 
1 1 1   -3   19   32 o  403.284   9.4775  441.007   20.506  455.405   31.118  429.955   27.263  408.931   14.082  397.636   12.688 11.29572 18.95503 
1 1 1   -3   19   33 o  467.102   8.7785  595.166   20.953  598.707   25.788  588.288   35.940  469.671   10.161  464.533   14.318 5.138580 17.55695 
1 1 1   -3   19   34 o  165.305   8.4356   74.398   7.5091   73.627   11.057   75.058   10.230  164.459   12.442  166.150   11.394 -1.690796 16.87110 
1 1 1   -3   19   35 o  236.988   7.9272  158.574   9.6094  132.815   15.648  174.170   12.176  220.645   13.124  253.332   8.8944 -32.68678 15.85435 
1 1 1   -3   19   36 o  318.179   6.3932  275.695   10.959  262.485   15.880  287.708   15.143  310.805   9.4551  325.554   8.6079 -14.74887 12.78649 
1 1 1   -3   19   37 o  301.698   6.2996  246.500   10.224  254.220   15.299  240.272   13.743  305.892   9.2555  297.504   8.5484 8.388733 12.59919 
1 1 1   -3   19   38 o  192.730   7.2590  100.932   7.5175  103.037   11.294   99.257   10.073  194.460   10.748  191.001   9.7598 3.458511 14.51798 
1 1 1   -3   19   39 o  210.950   6.8039  120.520   7.7158  127.479   11.632  115.053   10.310  216.299   9.9523  205.600   9.2804 10.69896 13.60784 
1 1 1   -3   19   40 o   93.472   12.761   24.976   6.2729   22.544   9.2477   27.049   8.5373   88.072   19.900   98.872   15.979 -10.80013 25.52197 
1 1 1   -3   19   41 o  151.214   8.6590   64.956   6.8172   49.974   10.254   76.825   9.1265  134.659   14.091  167.769   10.067 -33.10960 17.31805 
1 1 1   -3   19   42 f  231.248   6.7253  146.236   8.3369  143.590   12.545  148.329   11.157  229.215   10.128  233.281   8.8509 -4.065872 13.45062 
1 1 1   -3   19   43 o   93.199   16.585   22.236   8.1005   14.513   9.7084   39.932   14.696   71.049   22.530  115.349   24.343 -44.29935 33.16902 
1 1 1   -3   19   44 o  185.673   10.631   95.601   10.630   90.225   14.326  102.185   15.855  180.013   14.728  191.334   15.335 -11.32092 21.26179 
1 1 1   -3   19   45 o   94.567   16.020   24.123   9.0984   8.6712   11.914   45.743   14.093   63.089   24.462  126.044   20.691 -62.95460 32.03970 
1 1 1   -3   19   46 o   69.882   18.020   13.034   8.9963   16.554   12.145   8.7545   13.391   75.047   25.286   64.717   25.681 10.32901 36.04004 
1 1 1   -3   19   47 o  201.521   7.1549  112.857   7.6683  105.361   11.701  118.499   10.152  195.216   11.093  207.825   9.0401 -12.60898 14.30971 
1 1 1   -3   19   48 o   51.150   14.309   5.0986   5.8734   3.3743   8.9773   6.3890   7.7663   49.828   20.566   52.471   19.900 -2.643394 28.61727 
1 1 1   -3   19   49 o  121.571   9.7583   41.832   6.3209   40.342   9.6700   42.944   8.3524  119.215   15.011  123.927   12.473 -4.711952 19.51653 
1 1 1   -3   19   50 o  167.449   7.9099   79.423   7.0153   68.983   10.549   87.699   9.3932  156.816   12.449  178.083   9.7612 -21.26611 15.81981 
1 1 1   -3   19   51 o   41.204   12.991  -1.9054   5.9097  -5.3174   9.1746   0.5142   7.7261   39.787   18.350   42.621   18.394 -2.834354 25.98184 
1 1 1   -3   19   52 o   67.247   15.127   14.033   6.1444   13.881   9.4875   14.143   8.0640   67.026   22.349   67.467   20.392 -0.4417267 30.25388 
1 1 1   -3   19   53 o  249.555   6.6204  172.165   8.8510  176.476   13.492  168.909   11.727  251.905   9.9121  247.205   8.7789 4.699417 13.24075 
1 1 1   -3   19   54 o  127.847   10.194   48.309   6.8128   42.084   10.599   52.693   8.8936  119.406   16.426  136.287   12.076 -16.88131 20.38768 
1 1 1   -3   19   55 o   46.663   14.085   2.2610   6.2916   0.0533   9.6670   3.8833   8.2869   45.547   20.094   47.779   19.743 -2.232185 28.17014 
1 1 1   -3   19   56 o  206.956   7.3941  122.118   8.1992  114.131   12.136  128.825   11.121  199.948   11.232  213.963   9.6189 -14.01485 14.78816 
1 1 1   -3   19   57 o  121.031   11.011   43.265   7.1615   46.248   10.823   40.942   9.5518  124.329   16.109  117.732   15.014 6.597382 22.02108 
1 1 1   -3   19   58 o  131.495   10.406   50.705   7.2710   54.764   11.519   48.017   9.3748  134.916   15.800  128.074   13.546 6.842117 20.81179 
1 1 1   -3   19   59 o  174.111   8.4749   89.314   7.9054   94.016   12.095   85.808   10.445  177.238   12.629  170.983   11.305 6.254639 16.94976 
1 1 1   -3   19   60 o   49.768   14.609   5.8082   6.6371   1.5270   10.229   8.9216   8.7227   45.809   20.414   53.728   20.904 -7.919109 29.21839 
1 1 1   -3   19   61 o   50.595   15.952   3.6698   7.5737   14.876   15.423   0.1090   8.6941   60.573   26.066   40.617   18.398 19.95599 31.90480 
1 1 1   -3   20    1 f  479.896   9.6440  622.878   25.009   0.0000   0.0000  622.878   25.009  ?   ?   479.896   9.6440      ?      ? 
1 1 1   -3   20    2 o  904.443   13.668  2222.84   63.145  2208.78  108.568  2230.03   77.626  901.657   22.283  907.228   15.834 -5.570618 27.33598 
1 1 1   -3   20    3 o  100.476   11.321   25.527   5.7730   36.261   10.110   20.334   7.0322  115.678   16.174   85.275   15.844 30.40302 22.64152 
1 1 1   -3   20    6 o  242.307   9.5680  158.804   12.528  158.804   12.528   0.0000   0.0000  242.307   9.5680  ?   ?       ?      ? 
1 1 1   -3   20    9 o  763.670   9.8099  1579.36   40.481  1569.01   57.139  1589.79   57.360  761.157   13.892  766.184   13.854 -5.027466 19.61975 
1 1 1   -3   20   10 o  394.497   10.012  420.989   21.344  420.989   21.344   0.0000   0.0000  394.497   10.012  ?   ?       ?      ? 
1 1 1   -3   20   13 o  478.244   7.2912  617.903   18.828  596.323   26.024  641.605   27.274  469.498   10.258  486.991   10.364 -17.49316 14.58240 
1 1 1   -3   20   14 o  386.659   9.4930  404.405   19.834   0.0000   0.0000  404.405   19.834  ?   ?   386.659   9.4930      ?      ? 
1 1 1   -3   20   15 o  295.790   9.5986  236.680   15.342   0.0000   0.0000  236.680   15.342  ?   ?   295.790   9.5986      ?      ? 
1 1 1   -3   20   16 o  680.234   12.787  1253.00   47.001  1253.00   47.001   0.0000   0.0000  680.234   12.787  ?   ?       ?      ? 
1 1 1   -3   20   18 o  346.199   6.7901  324.535   12.683  318.349   18.352  330.190   17.548  343.024   9.9010  349.373   9.2948 -6.349121 13.58028 
1 1 1   -3   20   19 o  300.311   6.8784  243.149   11.138  222.937   15.281  266.063   16.270  287.037   9.8518  313.585   9.6017 -26.54803 13.75685 
1 1 1   -3   20   20 o  404.902   6.8391  443.437   14.957  424.830   20.912  462.922   21.400  396.205   9.7677  413.600   9.5752 -17.39468 13.67818 
1 1 1   -3   20   21 o  703.951   9.1920  1340.54   34.922  1295.83   47.957  1391.00   50.955  691.507   12.834  716.394   13.163 -24.88727 18.38400 
1 1 1   -3   20   22 o  514.317   7.5140  716.019   20.880  700.201   29.316  732.302   29.746  508.549   10.668  520.084   10.584 -11.53506 15.02792 
1 1 1   -3   20   24 o  278.993   6.9248  211.267   10.401  190.193   14.697  232.413   14.722  264.991   10.264  292.995   9.2986 -28.00443 13.84961 
1 1 1   -3   20   25 o  399.819   9.3583  432.885   20.218   0.0000   0.0000  432.885   20.218  ?   ?   399.819   9.3583      ?      ? 
1 1 1   -3   20   26 o  335.524   9.2853  304.874   16.835   0.0000   0.0000  304.874   16.835  ?   ?   335.524   9.2853      ?      ? 
1 1 1   -3   20   27 o  243.224   10.916  163.105   14.067  148.266   21.562  174.099   18.560  233.274   17.106  253.174   13.567 -19.90012 21.83249 
1 1 1   -3   20   28 o  326.307   9.6804  287.438   16.869  301.802   26.189  277.252   22.053  333.102   14.550  319.511   12.773 13.59036 19.36089 
1 1 1   -3   20   29 o  302.167   9.8624  250.474   15.897  234.009   24.029  263.288   21.198  293.069   15.173  311.265   12.603 -18.19681 19.72486 
1 1 1   -3   20   30 o  300.199   12.498  245.045   20.274   0.0000   0.0000  245.045   20.274  ?   ?   300.199   12.498      ?      ? 
1 1 1   -3   20   31 o  298.148   6.6677  241.613   10.717  231.893   15.495  250.526   14.839  292.340   9.8088  303.956   9.0343 -11.61597 13.33536 
1 1 1   -3   20   32 o  618.029   16.866  1046.40   56.326   0.0000   0.0000  1046.40   56.326  ?   ?   618.029   16.866      ?      ? 
1 1 1   -3   20   33 f  128.015   10.786   44.987   7.4120   38.808   10.412   51.336   10.554  118.971   16.196  137.059   14.250 -18.08879 21.57226 
1 1 1   -3   20   34 o  110.482   13.637   31.500   7.5786   42.973   13.723   26.466   9.0906  124.477   20.402   96.487   18.100 27.98976 27.27391 
1 1 1   -3   20   35 o  229.570   7.0155  144.408   8.6275  132.301   12.720  154.723   11.741  220.475   10.677  238.665   9.1039 -18.19043 14.03110 
1 1 1   -3   20   36 o  184.876   7.5432   93.417   7.5025   89.011   10.977   97.279   10.278  180.689   11.243  189.064   10.060 -8.374893 15.08648 
1 1 1   -3   20   37 o  177.651   7.9962   87.915   7.5142   70.753   10.973  103.071   10.311  160.762   12.631  194.540   9.8089 -33.77788 15.99247 
1 1 1   -3   20   38 o  412.515   6.6542  463.826   14.823  452.501   21.168  474.725   20.765  407.497   9.6130  417.532   9.2036 -10.03534 13.30850 
1 1 1   -3   20   39 o  109.098   11.215   32.669   6.5128   34.603   10.244   31.357   8.4375  111.590   16.989  106.606   14.647 4.983643 22.43098 
1 1 1   -3   20   40 o   50.772   14.705   2.2606   6.4706   6.4019   9.8641  -0.8673   8.5728   57.288   22.246   44.256   19.237 13.03231 29.41017 
1 1 1   -3   20   41 o  179.116   11.659   90.690   11.136  101.959   15.300   77.995   16.238  191.672   14.772  166.560   18.042 25.11189 23.31778 
1 1 1   -3   20   42 o   56.900   16.712   3.3680   8.6028   7.1914   11.261  -1.9912   13.332   60.311   23.671   53.490   23.598 6.820793 33.42442 
1 1 1   -3   20   43 o  327.830   9.2610  298.088   16.379  307.658   22.775  287.838   23.571  333.565   12.636  322.095   13.543 11.47058 18.52203 
1 1 1   -3   20   44 o  133.624   14.420   52.907   9.8643   56.599   12.897   47.703   15.312  141.461   16.872  125.787   23.389 15.67381 28.83902 
1 1 1   -3   20   45 o  276.011   8.7063  208.711   12.985   0.0000   0.0000  208.711   12.985  ?   ?   276.011   8.7063      ?      ? 
1 1 1   -3   20   46 o  202.048   7.1461  111.274   7.6668  119.129   12.182  106.122   9.8656  207.577   10.861  196.518   9.2903 11.05807 14.29211 
1 1 1   -3   20   47 o  229.937   8.7287  145.253   10.845   0.0000   0.0000  145.253   10.845  ?   ?   229.937   8.7287      ?      ? 
1 1 1   -3   20   48 o  147.748   8.7519   61.109   6.8666   60.764   10.721   61.349   8.9413  146.915   13.504  148.581   11.137 -1.665482 17.50382 
1 1 1   -3   20   49 o  289.060   6.3979  231.622   9.9412  212.167   14.362  249.518   13.775  276.978   9.5957  301.142   8.4649 -24.16318 12.79576 
1 1 1   -3   20   50 o  186.750   7.4504   96.651   7.4229  100.247   11.530   94.105   9.7005  189.296   11.272  184.204   9.7456 5.092850 14.90078 
1 1 1   -3   20   51 o   45.981   13.842   1.9251   5.9780   0.4942   9.4605   2.8762   7.7129   46.232   20.151   45.731   18.984 0.5007706 27.68490 
1 1 1   -3   20   52 o  172.808   7.9352   84.275   7.3292   79.935   11.028   87.709   9.8087  168.260   12.129  177.356   10.235 -9.095856 15.87037 
1 1 1   -3   20   53 o  107.372   11.987   35.205   6.5806   31.158   10.147   38.142   8.6450   99.759   19.523  114.986   13.913 -15.22698 23.97335 
1 1 1   -3   20   54 o  164.728   8.5353   78.431   7.4433   70.523   11.338   84.421   9.8676  156.307   13.423  173.150   10.546 -16.84247 17.07069 
1 1 1   -3   20   55 o  166.540   8.7070   79.477   7.7874   84.977   11.816   75.254   10.355  171.195   12.772  161.884   11.837 9.310989 17.41407 
1 1 1   -3   20   56 o  143.963   10.192   61.696   7.7028   55.558   11.982   66.020   10.056  136.206   16.279  151.720   12.266 -15.51355 20.38313 
1 1 1   -3   20   57 o   62.939   15.761   12.296   6.6219   18.452   10.785   8.5706   8.3894   71.781   23.823   54.097   20.643 17.68355 31.52227 
1 1 1   -3   20   58 o   76.659   15.569   21.231   6.7610   26.454   10.481   17.508   8.8482   84.250   22.568   69.068   21.452 15.18163 31.13707 
1 1 1   -3   20   59 o   80.757   15.504   23.380   6.8663   26.684   10.678   21.052   8.9657   84.798   22.807   76.717   21.010 8.080803 31.00899 
1 1 1   -3   21    1 o  843.491   15.181  1927.59   69.194   0.0000   0.0000  1927.59   69.194  ?   ?   843.491   15.181      ?      ? 
1 1 1   -3   21    2 o  170.620   14.482   78.851   13.352   78.851   13.352   0.0000   0.0000  170.620   14.482  ?   ?       ?      ? 
1 1 1   -3   21    3 o  775.482   11.622  1306.26   43.394  935.360   49.598  2516.82   89.606  587.522   15.623  963.442   17.212 -375.9199 23.24451 
1 1 1   -3   21    7 f  197.758   8.7448  106.088   9.3200  109.505   12.852  102.298   13.535  201.141   11.825  194.376   12.886 6.764572 17.48957 
1 1 1   -3   21    9 o  440.143   7.4147  523.618   17.623  498.541   24.504  550.486   25.364  429.234   10.565  451.052   10.406 -21.81793 14.82931 
1 1 1   -3   21   13 o  380.240   9.9757  391.175   20.497   0.0000   0.0000  391.175   20.497  ?   ?   380.240   9.9757      ?      ? 
1 1 1   -3   21   15 o  101.667   14.824   29.166   7.8737   27.366   11.142   30.962   11.129   98.391   21.552  104.944   20.359 -6.553040 29.64751 
1 1 1   -3   21   16 o  479.165   7.3992  620.686   19.145  591.870   26.552  651.888   27.630  467.594   10.509  490.737   10.419 -23.14365 14.79848 
1 1 1   -3   21   17 o  206.947   8.2312  115.820   9.1977  111.006   12.720  121.095   13.316  202.448   11.627  211.447   11.654 -8.998550 16.46231 
1 1 1   -3   21   18 o  600.991   8.2915  977.792   26.920  952.035   37.588  1004.92   38.573  592.868   11.733  609.113   11.719 -16.24463 16.58309 
1 1 1   -3   21   19 o  291.617   7.0372  229.932   11.069  210.961   15.390  250.260   15.931  279.157   10.202  304.077   9.6955 -24.92023 14.07449 
1 1 1   -3   21   20 o  422.198   7.0324  482.663   16.041  478.273   22.821  486.950   22.554  420.291   10.048  424.105   9.8415 -3.814056 14.06486 
1 1 1   -3   21   21 o  527.002   7.6509  752.291   21.785  736.706   30.525  768.467   31.099  521.440   10.833  532.565   10.807 -11.12555 15.30181 
1 1 1   -3   21   22 o  221.991   7.7094  133.657   9.2330  124.417   13.013  143.022   13.102  214.238   11.241  229.743   10.554 -15.50487 15.41887 
1 1 1   -3   21   23 o  102.853   18.972   26.278   9.5447   39.910   19.382   21.914   10.967  117.876   30.271   87.829   22.879 30.04782 37.94437 
1 1 1   -3   21   24 o   89.212   19.700   21.137   11.911   1.6068   18.869   34.077   15.358   69.325   29.294  109.098   26.349 -39.77271 39.40042 
1 1 1   -3   21   25 o  431.350   10.189  505.737   23.706  465.540   33.118  547.973   33.947  413.702   14.814  448.999   13.992 -35.29745 20.37729 
1 1 1   -3   21   26 o  148.476   15.005   59.173   11.907   71.284   18.485   50.586   15.566  161.176   21.224  135.776   21.216 25.40070 30.00976 
1 1 1   -3   21   27 o  314.693   13.162  269.369   22.381   0.0000   0.0000  269.369   22.381  ?   ?   314.693   13.162      ?      ? 
1 1 1   -3   21   28 o  204.203   8.0525  112.676   8.8596  124.883   13.053  102.248   12.064  214.415   11.266  193.991   11.509 20.42422 16.10498 
1 1 1   -3   21   29 o  198.173   8.0267  107.060   8.5177  104.194   12.847  109.307   11.378  195.714   12.148  200.631   10.495 -4.916336 16.05340 
1 1 1   -3   21   30 o  189.041   8.0268   96.991   8.1867  100.544   11.987   93.886   11.208  192.258   11.538  185.824   11.162 6.434799 16.05350 
1 1 1   -3   21   31 o  362.250   8.1701  357.080   15.243  356.529   18.888  358.108   25.812  362.275   9.6484  362.224   13.188 0.5017090E-01 16.34024 
1 1 1   -3   21   32 o  295.919   13.084  239.189   20.923   0.0000   0.0000  239.189   20.923  ?   ?   295.919   13.084      ?      ? 
1 1 1   -3   21   33 o   99.080   15.078   29.005   7.6233   23.829   12.951   31.749   9.4302   90.675   25.412  107.485   16.236 -16.80952 30.15592 
1 1 1   -3   21   34 o  129.310   10.473   46.084   7.2375   44.496   10.972   47.307   9.6294  127.166   15.968  131.453   13.556 -4.287056 20.94603 
1 1 1   -3   21   35 o  387.159   6.6391  406.711   13.862  372.982   19.074  444.458   20.179  370.155   9.5363  404.162   9.2395 -34.00659 13.27815 
1 1 1   -3   21   36 o  130.046   10.500   48.184   7.0610   33.125   10.150   62.306   9.8291  109.245   17.194  150.847   12.058 -41.60271 21.00095 
1 1 1   -3   21   37 o  155.423   9.0922   67.381   7.5042   58.398   11.191   74.719   10.115  145.583   14.226  165.263   11.327 -19.68039 18.18447 
1 1 1   -3   21   38 o  143.585   11.981   57.269   8.9929   56.917   11.359   57.860   14.720  143.528   14.646  143.642   18.965 -0.1143951 23.96161 
1 1 1   -3   21   39 o  154.756   12.400   67.797   10.248   76.396   14.165   58.356   14.843  165.673   15.823  143.838   19.097 21.83539 24.80043 
1 1 1   -3   21   40 o   69.688   18.207   11.116   9.1455   6.2590   12.042   17.736   14.058   60.328   24.214   79.047   27.197 -18.71938 36.41404 
1 1 1   -3   21   41 o  183.969   10.835   93.346   10.692   79.797   14.309  110.473   16.089  168.901   15.678  199.036   14.959 -30.13475 21.66990 
1 1 1   -3   21   42 o   46.159   14.448  -2.7358   6.8825   1.5716   11.403  -5.2040   8.6320   53.052   22.610   39.265   17.994 13.78706 28.89616 
1 1 1   -3   21   43 o  312.720   6.5670  268.731   11.078  258.152   15.924  278.651   15.421  306.578   9.6124  318.863   8.9501 -12.28555 13.13404 
1 1 1   -3   21   44 f  102.893   12.655   30.405   6.8351   36.451   10.217   25.508   9.1963  113.191   16.704   92.596   19.016 20.59491 25.31058 
1 1 1   -3   21   45 o  177.437   7.9927   88.314   7.5206   81.774   11.546   93.133   9.9116  171.153   12.484  183.721   9.9838 -12.56868 15.98540 
1 1 1   -3   21   46 o  148.502   8.6799   62.177   6.8713   57.159   10.330   66.160   9.2023  142.609   13.405  154.395   11.030 -11.78546 17.35979 
1 1 1   -3   21   47 o  144.363   9.0399   57.978   7.0077   63.619   10.665   53.692   9.2962  150.332   13.128  138.393   12.431 11.93846 18.07990 
1 1 1   -3   21   48 o  176.499   7.7737   88.270   7.2589   78.193   11.042   95.940   9.6333  166.819   12.249  186.179   9.5753 -19.36006 15.54745 
1 1 1   -3   21   49 o   66.620   15.514   12.786   6.4990   18.694   10.239   8.7999   8.4105   76.367   22.954   56.873   20.878 19.49427 31.02858 
1 1 1   -3   21   50 o  104.954   12.213   31.435   6.6136   43.333   10.497   23.603   8.5166  122.134   15.905   87.773   18.538 34.36130 24.42583 
1 1 1   -3   21   51 o  106.211   11.895   32.684   6.7604   37.978   10.485   28.918   8.8445  113.272   17.130   99.150   16.508 14.12256 23.78949 
1 1 1   -3   21   52 o  153.042   9.5988   70.355   7.4989   54.650   11.787   81.034   9.7197  136.216   16.013  169.868   10.589 -33.65224 19.19767 
1 1 1   -3   21   53 o  168.081   8.7060   79.896   7.7972   88.611   12.299   74.040   10.082  175.052   13.002  161.109   11.581 13.94220 17.41190 
1 1 1   -3   21   54 o  199.622   10.040  112.361   10.830   0.0000   0.0000  112.361   10.830  ?   ?   199.622   10.040      ?      ? 
1 1 1   -3   21   55 o   94.943   13.949   26.269   7.1451   46.965   11.711   13.996   9.0182  124.378   17.424   65.508   21.786 58.87010 27.89731 
1 1 1   -3   21   56 o  118.503   11.376   42.133   7.1523   52.338   11.520   35.733   9.1235  129.402   16.475  107.603   15.691 21.79933 22.75182 
1 1 1   -3   21   57 o   41.930   13.371  -1.8816   6.3833   4.8010   10.028  -6.4348   8.2771   49.160   21.082   34.700   16.453 14.46036 26.74258 
1 1 1   -3   21   58 o  123.513   16.794   62.923   9.9570   41.306   17.439   73.378   12.128   92.852   30.269  154.175   14.558 -61.32287 33.58759 
1 1 1   -3   22    1 o  523.341   8.8713  740.792   25.088   0.0000   0.0000  740.792   25.088  ?   ?   523.341   8.8713      ?      ? 
1 1 1   -3   22    2 o  633.676   11.994  1087.05   41.069   0.0000   0.0000  1087.05   41.069  ?   ?   633.676   11.994      ?      ? 
1 1 1   -3   22    3 o  302.944   7.4534  231.726   10.817  284.685   21.833  214.497   12.453  324.257   12.460  281.632   8.1827 42.62476 14.90688 
1 1 1   -3   22    4 o  465.619   8.4370  596.597   20.645  541.216   32.402  634.442   26.786  447.008   13.414  484.230   10.237 -37.22198 16.87406 
1 1 1   -3   22    5 o  254.152   7.7982  174.819   10.707  180.286   15.199  169.434   15.085  258.102   10.898  250.203   11.157 7.898209 15.59639 
1 1 1   -3   22    6 o  757.344   9.9171  1553.94   40.583  1534.38   57.155  1573.82   57.635  752.534   14.055  762.153   13.995 -9.619690 19.83427 
1 1 1   -3   22    7 o  666.633   8.9927  1203.09   32.387  1181.93   45.234  1225.36   46.393  660.625   12.671  672.642   12.764 -12.01703 17.98534 
1 1 1   -3   22    8 o  544.670   7.9758  800.571   23.433  760.877   31.997  846.483   34.412  530.166   11.169  559.174   11.389 -29.00824 15.95155 
1 1 1   -3   22   11 o  426.919   7.2669  493.207   16.758  474.706   23.490  512.382   23.914  418.760   10.381  435.077   10.172 -16.31735 14.53384 
1 1 1   -3   22   12 o  131.295   12.087   47.424   8.4356   38.058   12.030   56.483   11.832  118.305   18.818  144.285   15.175 -25.98071 24.17487 
1 1 1   -3   22   13 o  414.705   9.9409  465.491   22.277   0.0000   0.0000  465.491   22.277  ?   ?   414.705   9.9409      ?      ? 
1 1 1   -3   22   14 o  171.888   9.5373   80.368   8.7470   64.702   12.169   97.115   12.582  154.449   14.581  189.327   12.298 -34.87814 19.07465 
1 1 1   -3   22   15 o   84.898   15.926   18.912   8.2895   33.686   12.063   5.6928   11.411  109.362   21.178   60.434   23.793 48.92818 31.85259 
1 1 1   -3   22   16 o  207.472   8.2456  116.624   9.2422  120.038   13.149  113.291   12.993  210.478   11.561  204.467   11.760 6.011047 16.49113 
1 1 1   -3   22   17 o   95.678   15.800   25.992   8.1115   32.908   11.635   19.453   11.314  108.048   20.682   83.308   23.893 24.74010 31.60086 
1 1 1   -3   22   18 o  486.408   7.4875  641.136   19.678  631.829   27.859  650.404   27.800  482.873   10.677  489.943   10.500 -7.069946 14.97508 
1 1 1   -3   22   20 o  316.883   9.3374  268.564   14.492  282.207   27.276  263.198   17.106  322.096   15.671  311.669   10.157 10.42703 18.67490 
1 1 1   -3   22   21 o   54.827   18.036 -15.6934   12.841 -22.9054   20.425 -10.9797   16.512   55.130   26.052   54.525   24.951 0.6050568 36.07295 
1 1 1   -3   22   22 o  327.137   10.601  293.634   18.574  265.090   27.231  318.468   25.400  311.960   16.154  342.314   13.732 -30.35406 21.20154 
1 1 1   -3   22   23 o  430.877   10.402  505.850   24.138  454.054   33.846  559.459   34.433  408.269   15.342  453.485   14.052 -45.21548 20.80423 
1 1 1   -3   22   24 o  422.250   8.6150  469.981   18.441  444.634   22.217  526.126   33.067  404.862   10.155  439.637   13.919 -34.77423 17.23001 
1 1 1   -3   22   27 f  135.204   11.113   51.959   7.7563   35.925   11.290   66.289   10.674  114.381   18.267  156.026   12.660 -41.64458 22.22519 
1 1 1   -3   22   30 o  215.347   15.345  127.185   17.856   0.0000   0.0000  127.185   17.856  ?   ?   215.347   15.345      ?      ? 
1 1 1   -3   22   31 o  224.022   9.1167  141.613   10.642  161.121   14.002  114.932   16.375  243.283   10.651  204.761   14.799 38.52251 18.23341 
1 1 1   -3   22   32 o  292.013   7.9388  236.141   11.942  220.158   19.813  245.261   14.967  283.689   12.925  300.337   9.2222 -16.64771 15.87762 
1 1 1   -3   22   33 o  227.596   9.7775  141.094   12.025   0.0000   0.0000  141.094   12.025  ?   ?   227.596   9.7775      ?      ? 
1 1 1   -3   22   34 o  121.393   11.510   40.810   7.5467   42.214   10.673   39.406   10.673  123.532   15.988  119.253   16.562 4.279472 23.02016 
1 1 1   -3   22   35 o   59.385   17.293   2.6772   9.0654  -2.4595   12.016   9.4640   13.812   50.831   22.416   67.940   26.340 -17.10890 34.58675 
1 1 1   -3   22   36 o  206.428   10.382  117.742   11.514  134.797   16.572  101.824   16.010  221.128   13.869  191.729   15.453 29.39912 20.76390 
1 1 1   -3   22   37 o   61.256   17.270   5.0234   9.2336   12.748   12.127  -5.6306   14.243   70.110   25.165   52.402   23.659 17.70789 34.54081 
1 1 1   -3   22   38 o  235.377   9.6226  153.191   12.213  150.248   16.673  156.599   17.941  233.094   13.237  237.660   13.970 -4.565460 19.24522 
1 1 1   -3   22   39 o   56.317   15.920   4.8102   7.2245   8.8649   11.561   2.2121   9.2540   63.080   24.193   49.555   20.701 13.52503 31.84100 
1 1 1   -3   22   40 o  290.493   6.5987  231.622   10.330  220.376   14.922  241.970   14.315  283.534   9.7395  297.452   8.9058 -13.91812 13.19738 
1 1 1   -3   22   41 o  145.995   9.2937   59.155   7.3020   61.212   10.899   57.479   9.8360  148.135   13.616  143.856   12.653 4.279068 18.58735 
1 1 1   -3   22   42 f  352.463   6.6203  341.510   12.588  333.784   18.201  348.595   17.429  348.450   9.6667  356.477   9.0481 -8.026642 13.24054 
1 1 1   -3   22   43 o  116.828   11.313   39.426   6.9905   34.816   10.606   42.967   9.2954  109.980   17.846  123.676   13.909 -13.69650 22.62632 
1 1 1   -3   22   44 o   69.795   15.582   14.744   6.5546   14.008   9.9870   15.301   8.6875   68.656   22.930   70.935   21.104 -2.279083 31.16379 
1 1 1   -3   22   45 o  124.244   10.918   45.018   7.1364   36.126   10.534   52.561   9.7019  111.734   17.447  136.755   13.129 -25.02027 21.83530 
1 1 1   -3   22   46 o  139.174   9.6968   56.133   7.0951   46.874   10.712   63.369   9.4702  127.810   15.511  150.539   11.642 -22.72907 19.39366 
1 1 1   -3   22   47 o  116.030   11.941   41.392   6.8917   30.370   10.448   49.880   9.1691   99.178   20.183  132.882   12.769 -33.70384 23.88299 
1 1 1   -3   22   48 o  198.264   7.5582  110.776   7.9857  103.016   12.071  116.816   10.649  191.407   11.670  205.121   9.6078 -13.71410 15.11649 
1 1 1   -3   22   49 o   90.449   14.524   25.843   6.9051   24.254   10.433   27.081   9.2116   86.939   22.145   93.959   18.799 -7.019661 29.04896 
1 1 1   -3   22   50 o   93.305   14.295   27.123   6.9429   31.270   10.717   24.124   9.1142   99.212   20.661   87.397   19.762 11.81528 28.59065 
1 1 1   -3   22   51 o  111.762   11.729   37.052   7.0047   37.623   10.738   36.629   9.2419  111.753   17.781  111.772   15.302 -0.1900482E-01 23.45895 
1 1 1   -3   22   52 o  104.442   13.697   35.631   7.3737   28.648   11.067   41.204   9.8878   91.609   22.517  117.275   15.603 -25.66669 27.39460 
1 1 1   -3   22   53 f   33.270   11.426 -14.8224   6.7379 -26.9539   10.644  -6.7119   8.7035   30.066   15.083   36.474   17.166 -6.408730 22.85103 
1 1 1   -3   22   54 f   97.398   14.329   31.785   7.1491   25.923   11.722   35.256   9.0208   85.921   24.211  108.874   15.333 -22.95303 28.65784 
1 1 1   -3   22   55 o  103.367   13.612   35.550   7.1283   38.740   11.969   33.796   8.8735  103.236   22.122  103.497   15.866 -0.2608566 27.22350 
1 1 1   -3   22   56 o   62.245   18.377   10.228   8.3181   23.288   19.409   7.2894   9.2065   72.672   30.136   51.817   21.040 20.85463 36.75448 
1 1 1   -3   22   57 o   91.082   18.135   38.935   10.080   27.117   19.179   43.446   11.849   71.643   29.854  110.521   20.598 -38.87734 36.27037 
1 1 1   -3   23    1 o  589.715   8.3108  940.772   26.483   0.0000   0.0000  940.772   26.483  ?   ?   589.715   8.3108      ?      ? 
1 1 1   -3   23    2 o   81.413   18.649   18.737   8.0277   0.0000   0.0000   18.737   8.0277  ?   ?    81.413   18.649      ?      ? 
1 1 1   -3   23    3 o  183.951   8.4741   90.552   7.9644   95.045   13.871   88.343   9.7276  187.240   13.710  180.662   9.9644 6.578278 16.94829 
1 1 1   -3   23    4 o  366.619   7.8275  363.594   14.697  365.090   25.206  362.824   18.090  367.060   12.708  366.177   9.1425 0.8835449 15.65502 
1 1 1   -3   23    5 o  477.313   8.2148  619.963   18.746  610.811   36.130  623.335   21.929  474.616   14.087  480.009   8.4542 -5.393524 16.42953 
1 1 1   -3   23    6 o  419.740   10.248  476.932   23.244  476.932   23.244   0.0000   0.0000  419.740   10.248  ?   ?       ?      ? 
1 1 1   -3   23    7 o  287.469   7.2555  223.706   11.270  224.574   16.045  222.861   15.833  288.017   10.310  286.922   10.212 1.095764 14.51107 
1 1 1   -3   23    8 o  551.160   11.277  822.782   33.585   0.0000   0.0000  822.782   33.585  ?   ?   551.160   11.277      ?      ? 
1 1 1   -3   23    9 o  411.558   7.2002  458.227   16.003  468.709   23.131  448.605   22.162  416.059   10.289  407.057   10.076 9.002533 14.40047 
1 1 1   -3   23   10 o   98.764   15.055   27.550   7.7968   29.988   11.300   25.334   10.772  103.026   21.009   94.502   21.570 8.523888 30.11037 
1 1 1   -3   23   12 o  242.579   7.7138  159.928   10.076  152.337   14.651  166.742   13.881  237.066   11.437  248.093   10.354 -11.02769 15.42753 
1 1 1   -3   23   13 o  684.198   12.843  1270.21   47.481   0.0000   0.0000  1270.21   47.481  ?   ?   684.198   12.843      ?      ? 
1 1 1   -3   23   14 o  174.944   9.5445   82.909   8.9280   67.531   12.264  100.249   13.022  157.664   14.395  192.224   12.537 -34.56012 19.08904 
1 1 1   -3   23   16 o  293.240   17.085  234.234   27.073  234.234   27.073   0.0000   0.0000  293.240   17.085  ?   ?       ?      ? 
1 1 1   -3   23   17 o  144.048   18.157   55.229   13.536   77.050   21.886   41.712   17.226  167.438   24.189  120.659   27.084 46.77883 36.31330 
1 1 1   -3   23   18 o  162.287   15.879   71.932   13.889   77.320   20.560   67.410   18.836  167.826   22.672  156.749   22.238 11.07657 31.75715 
1 1 1   -3   23   19 o  295.498   11.258  240.147   17.801  207.860   25.672  270.045   24.704  275.978   17.215  315.018   14.513 -39.04031 22.51602 
1 1 1   -3   23   20 o  318.443   11.135  277.621   18.887  220.518   26.267  338.739   27.175  284.141   17.108  352.746   14.257 -68.60535 22.26962 
1 1 1   -3   23   21 o  100.903   21.451   29.043   11.336   29.043   11.336   0.0000   0.0000  100.903   21.451  ?   ?       ?      ? 
1 1 1   -3   23   22 f  288.520   6.9952  225.917   10.902  219.652   15.441  232.146   15.396  284.512   10.043  292.529   9.7397 -8.017487 13.99032 
1 1 1   -3   23   23 o  187.781   8.7152   96.080   8.8290   90.944   12.588  101.054   12.386  182.789   12.745  192.773   11.891 -9.984375 17.43034 
1 1 1   -3   23   24 o  159.555   9.7487   69.659   8.3182   82.490   11.918   57.473   11.615  174.044   12.673  145.066   14.817 28.97800 19.49732 
1 1 1   -3   23   25 o  202.727   8.3146  112.007   9.0954  108.887   13.101  114.911   12.637  199.950   12.125  205.503   11.380 -5.553650 16.62927 
1 1 1   -3   23   26 o  149.431   9.8721   61.136   7.9560   65.334   11.234   56.912   11.269  154.649   13.443  144.213   14.461 10.43579 19.74426 
1 1 1   -3   23   27 o   67.012   16.299   11.395   7.2548   14.565   10.141   8.0735   10.383   72.590   23.028   61.435   23.074 11.15474 32.59886 
1 1 1   -3   23   28 o  309.344   6.7956  259.925   11.349  244.814   15.843  275.852   16.265  300.085   9.7705  318.604   9.4476 -18.51910 13.59116 
1 1 1   -3   23   29 o  381.429   8.4409  396.598   16.617  395.486   20.637  398.649   28.021  381.235   10.018  381.623   13.588 -0.3876343 16.88183 
1 1 1   -3   23   30 o  193.749   9.7440  100.784   9.8812   94.697   12.353  111.599   16.465  186.095   12.285  201.402   15.129 -15.30757 19.48809 
1 1 1   -3   23   31 o  172.851   11.427   80.381   10.502   63.829   13.725  103.761   16.313  151.818   16.730  193.884   15.570 -42.06604 22.85464 
1 1 1   -3   23   32 o  252.976   9.6850  176.368   13.175  180.248   17.899  171.779   19.465  256.261   12.926  249.690   14.427 6.571548 19.37007 
1 1 1   -3   23   33 o   89.822   18.202   23.173   9.3254   18.043   12.341   30.000   14.237   79.472   25.423  100.173   26.055 -20.70103 36.40356 
1 1 1   -3   23   34 o  178.869   11.280   88.754   10.887   87.568   14.961   90.090   15.873  177.710   15.580  180.029   16.316 -2.318665 22.56021 
1 1 1   -3   23   35 o  102.944   16.743   32.553   9.6094   44.144   13.011   18.642   14.253  124.999   19.262   80.888   27.392 44.11086 33.48684 
1 1 1   -3   23   36 o  131.839   11.448   47.349   8.0083   55.450   12.900   42.269   10.215  140.546   16.986  123.132   15.352 17.41367 22.89581 
1 1 1   -3   23   37 o  255.977   9.6849  179.408   13.396   0.0000   0.0000  179.408   13.396  ?   ?   255.977   9.6849      ?      ? 
1 1 1   -3   23   38 o  154.270   9.4301   65.386   7.8124   72.224   11.886   60.186   10.366  161.202   13.645  147.339   13.020 13.86252 18.86019 
1 1 1   -3   23   39 o  223.931   7.5060  137.986   9.0169  139.441   13.621  136.850   12.030  224.730   11.216  223.132   9.9777 1.597733 15.01202 
1 1 1   -3   23   40 o  290.397   9.0632  231.334   14.222   0.0000   0.0000  231.334   14.222  ?   ?   290.397   9.0632      ?      ? 
1 1 1   -3   23   41 o   56.030   15.607   5.9389   6.9172   9.5438   10.690   3.3424   9.0725   61.960   23.383   50.100   20.676 11.86011 31.21348 
1 1 1   -3   23   42 o  315.802   8.9097  274.189   15.204   0.0000   0.0000  274.189   15.204  ?   ?   315.802   8.9097      ?      ? 
1 1 1   -3   23   43 o   76.293   15.501   17.821   6.6886   19.567   10.147   16.479   8.8942   79.280   22.591   73.306   21.231 5.974159 31.00144 
1 1 1   -3   23   44 f   84.722   14.769   23.070   6.8485   16.357   10.500   28.041   9.0350   72.631   23.473   96.813   17.931 -24.18252 29.53778 
1 1 1   -3   23   45 o   55.280   14.874   6.6680   6.6945  -1.5764   10.455   12.398   8.7157   46.325   20.642   64.235   21.421 -17.90945 29.74792 
1 1 1   -3   23   46 o  304.407   8.9628  256.304   14.743   0.0000   0.0000  256.304   14.743  ?   ?   304.407   8.9628      ?      ? 
1 1 1   -3   23   47 o  111.400   11.797   35.644   7.0261   41.027   10.957   31.885   9.1567  118.167   17.159  104.633   16.195 13.53395 23.59495 
1 1 1   -3   23   48 o  150.094   9.4305   63.400   7.5473   70.879   11.887   58.347   9.7693  156.956   14.015  143.233   12.622 13.72292 18.86094 
1 1 1   -3   23   49 o  177.888   8.4488   90.719   7.9778   83.724   12.172   95.986   10.563  170.891   13.181  184.886   10.573 -13.99510 16.89768 
1 1 1   -3   23   50 o   70.825   13.523   14.866   6.9270  -2.7005   10.086   30.548   9.5299   43.146   19.650   98.503   18.585 -55.35729 27.04683 
1 1 1   -3   23   51 o   38.602   12.877  -8.2101   6.7910  -2.3680   10.799 -12.0316   8.7341   44.602   20.320   32.601   15.824 12.00090 25.75472 
1 1 1   -3   23   53 o   83.360   15.797   23.737   7.1468   28.560   11.408   20.622   9.1690   89.414   23.356   77.306   21.278 12.10788 31.59486 
1 1 1   -3   23   54 o  114.527   17.730   45.494   8.7584   60.248   20.333   42.133   9.7049  112.898   31.912  116.156   15.462 -3.257446 35.46042 
1 1 1   -3   23   55 o  209.424   13.191  151.138   13.287  113.964   22.269  171.689   16.558  178.391   23.101  240.457   12.743 -62.06656 26.38268 
1 1 1   -3   23   56 o   60.902   18.405   6.7300   10.085   36.126   19.194  -4.4797   11.853   79.984   31.040   41.821   19.789 38.16249 36.81084 
1 1 1   -3   24    1 o  264.409   9.3226  189.318   13.320   0.0000   0.0000  189.318   13.320  ?   ?   264.409   9.3226      ?      ? 
1 1 1   -3   24    2 o  122.265   12.690   40.559   8.3842   0.0000   0.0000   40.559   8.3842  ?   ?   122.265   12.690      ?      ? 
1 1 1   -3   24    3 o  323.641   11.590  283.994   20.268   0.0000   0.0000  283.994   20.268  ?   ?   323.641   11.590      ?      ? 
1 1 1   -3   24    4 o  390.809   7.4542  413.616   14.127  414.414   26.726  413.307   16.642  390.820   12.655  390.799   7.8809 0.2102661E-01 14.90841 
1 1 1   -3   24    5 o  352.065   7.3206  344.125   12.814  314.189   22.667  358.187   15.535  340.326   12.325  363.804   7.9023 -23.47739 14.64112 
1 1 1   -3   24    6 o  107.063   15.571   32.402   8.6652   33.288   13.012   31.695   11.616  108.249   22.956  105.877   21.044 2.372604 31.14238 
1 1 1   -3   24    7 o  306.861   7.2432  254.695   11.999  245.362   16.526  265.097   17.448  300.934   10.163  312.788   10.323 -11.85416 14.48643 
1 1 1   -3   24    8 o  360.628   7.0429  352.272   13.712  353.737   19.834  350.931   18.979  361.326   10.158  359.929   9.7581 1.396973 14.08576 
1 1 1   -3   24    9 o  219.741   8.3698  130.863   9.9179  142.818   14.250  119.631   13.812  229.491   11.491  209.990   12.172 19.50102 16.73957 
1 1 1   -3   24   11 o  302.042   10.185  247.236   16.624   0.0000   0.0000  247.236   16.624  ?   ?   302.042   10.185      ?      ? 
1 1 1   -3   24   12 o  184.323   13.691   73.977   11.842  136.779   25.957   57.470   13.307  223.435   21.498  145.211   16.959 78.22372 27.38237 
1 1 1   -3   24   13 f   98.894   22.727   26.460   14.182   18.919   20.853   32.950   19.346   90.182   32.909  107.605   31.354 -17.42321 45.45416 
1 1 1   -3   24   14 o  220.721   13.720  133.539   16.158  131.892   24.809  134.752   21.293  219.308   20.935  222.135   17.739 -2.827713 27.43965 
1 1 1   -3   24   15 o  149.038   19.296   66.340   14.364   50.203   23.231   76.329   18.277  131.247   32.836  166.829   20.274 -35.58220 38.59121 
1 1 1   -3   24   16 o  269.451   11.884  200.105   17.132  172.095   24.632  226.351   23.844  250.772   18.177  288.130   15.314 -37.35822 23.76871 
1 1 1   -3   24   17 o  307.941   10.255  257.319   17.064  257.319   17.064   0.0000   0.0000  307.941   10.255  ?   ?       ?      ? 
1 1 1   -3   24   18 o  391.290   7.0029  415.171   14.799  423.036   21.339  407.883   20.543  394.841   10.002  387.738   9.8046 7.103394 14.00581 
1 1 1   -3   24   19 o  154.828   10.259   65.354   8.5773   68.677   12.271   62.179   11.994  158.695   14.310  150.961   14.703 7.733231 20.51701 
1 1 1   -3   24   20 o  139.235   10.845   52.525   8.1241   46.926   10.947   59.388   12.120  131.033   15.461  147.436   15.213 -16.40302 21.69072 
1 1 1   -3   24   21 o  143.779   10.789   56.546   8.3795   55.991   11.970   57.079   11.734  143.061   15.484  144.496   15.029 -1.435089 21.57789 
1 1 1   -3   24   22 o  275.455   7.1992  206.196   10.715  203.705   15.031  208.770   15.278  273.767   10.161  277.143   10.202 -3.376190 14.39839 
1 1 1   -3   24   23 o   69.364   16.871   12.313   7.7014   9.9597   10.820   14.730   10.965   65.171   23.717   73.558   24.002 -8.386612 33.74291 
1 1 1   -3   24   24 o   90.365   16.188   23.518   8.0045   18.309   11.101   29.161   11.553   80.208   23.854  100.523   21.889 -20.31518 32.37516 
1 1 1   -3   24   25 o  198.363   10.280  112.275   10.370  123.877   13.090   92.725   16.992  213.226   11.361  183.500   17.136 29.72572 20.56046 
1 1 1   -3   24   26 o  179.460   11.159   87.938   10.705   84.550   14.031   92.658   16.559  175.542   14.792  183.379   16.711 -7.837234 22.31723 
1 1 1   -3   24   27 o  283.309   9.2138  220.335   14.064  230.180   19.461  209.572   20.348  290.124   12.413  276.494   13.619 13.62976 18.42751 
1 1 1   -3   24   28 o  212.103   9.9435  124.148   11.343  130.631   15.585  116.847   16.540  218.224   13.217  205.981   14.860 12.24269 19.88710 
1 1 1   -3   24   29 o  255.372   9.6991  179.396   13.376  186.171   18.879  172.568   18.953  260.310   13.422  250.434   14.005 9.875565 19.39813 
1 1 1   -3   24   30 o  163.466   11.617   74.291   10.157   75.495   13.510   72.725   15.404  165.316   15.124  161.617   17.638 3.698807 23.23443 
1 1 1   -3   24   31 o  144.289   13.170   58.225   10.153   57.928   13.389   58.626   15.575  144.232   17.179  144.347   19.968 -0.1153107 26.34033 
1 1 1   -3   24   32 o  164.002   10.121   73.195   8.6899   79.077   14.398   69.824   10.899  168.695   15.794  159.309   12.661 9.386032 20.24227 
1 1 1   -3   24   33 o  147.017   9.8045   60.506   7.6968   52.761   11.244   67.336   10.559  137.731   15.107  156.303   12.501 -18.57111 19.60896 
1 1 1   -3   24   34 o   58.835   14.747   5.3832   6.8352   17.066   9.9587  -5.0222   9.3985   76.035   22.589   41.635   18.964 34.40048 29.49436 
1 1 1   -3   24   35 o   77.765   21.870   18.005   9.5748   0.0000   0.0000   18.005   9.5748  ?   ?    77.765   21.870      ?      ? 
1 1 1   -3   24   36 o  172.279   8.7830   82.051   8.1691   84.134   11.856   80.169   11.272  174.303   12.588  170.256   12.252 4.047043 17.56599 
1 1 1   -3   24   37 o  249.137   9.5187  170.391   12.815   0.0000   0.0000  170.391   12.815  ?   ?   249.137   9.5187      ?      ? 
1 1 1   -3   24   38 o   58.912   15.690   8.2712   6.8782   5.5724   10.240   10.490   9.2846   55.594   22.324   62.230   22.053 -6.635349 31.37963 
1 1 1   -3   24   39 o  129.287   10.737   46.934   7.4725   52.709   11.084   42.121   10.118  136.590   15.017  121.984   15.349 14.60574 21.47345 
1 1 1   -3   24   40 o  159.473   9.1162   71.782   7.7664   66.776   11.630   75.810   10.434  153.917   13.983  165.028   11.700 -11.11021 18.23242 
1 1 1   -3   24   41 o  279.593   9.2463  215.328   13.970   0.0000   0.0000  215.328   13.970  ?   ?   279.593   9.2463      ?      ? 
1 1 1   -3   24   42 o   71.270   15.288   14.677   6.8264   23.451   10.110   7.3244   9.2548   86.655   21.652   55.884   21.590 30.77177 30.57676 
1 1 1   -3   24   43 f  243.348   7.0425  164.843   9.2148  157.263   13.521  171.419   12.592  237.735   10.525  248.960   9.3602 -11.22498 14.08493 
1 1 1   -3   24   44 f   53.417   15.263   5.6636   6.8403   3.8418   10.244   7.1294   9.1888   51.887   21.736   54.948   21.434 -3.060875 30.52671 
1 1 1   -3   24   45 o  343.274   9.1572  326.321   16.986   0.0000   0.0000  326.321   16.986  ?   ?   343.274   9.1572      ?      ? 
1 1 1   -3   24   46 o  177.026   8.7625   89.560   8.2892   76.733   11.916  101.588   11.538  163.899   13.455  190.152   11.229 -26.25319 17.52498 
1 1 1   -3   24   47 o   61.819   15.780   11.416   6.8976   7.9435   10.273   14.268   9.3079   56.756   22.502   66.882   22.128 -10.12636 31.55947 
1 1 1   -3   24   48 o  146.537   9.8146   63.029   7.6465   53.013   11.106   72.055   10.543  134.244   15.310  158.830   12.285 -24.58650 19.62929 
1 1 1   -3   24   49 o  152.777   9.4101   68.284   7.6708   66.615   11.695   69.544   10.162  150.158   14.414  155.396   12.102 -5.238388 18.82024 
1 1 1   -3   24   50 o   95.640   14.823   30.430   7.5600   24.570   11.466   34.938   10.055   84.059   24.035  107.221   17.355 -23.16239 29.64592 
1 1 1   -3   24   51 o  143.717   14.114   60.625   10.961   0.0000   0.0000   60.625   10.961  ?   ?   143.717   14.114      ?      ? 
1 1 1   -3   24   52 o   71.870   18.993   22.496   9.7555   20.980   19.276   23.018   11.311   67.816   29.160   75.924   24.344 -8.108353 37.98669 
1 1 1   -3   24   53 o   88.649   20.279   33.243   10.584   35.631   21.479   32.477   12.163   83.682   32.734   93.616   23.947 -9.934723 40.55878 
1 1 1   -3   24   54 o   68.658   18.348   21.662   10.753   3.3581   21.322   27.905   12.453   55.730   26.419   81.587   25.468 -25.85646 36.69617 
1 1 1   -3   25    1 o  178.222   13.454   86.327   12.957   0.0000   0.0000   86.327   12.957  ?   ?   178.222   13.454      ?      ? 
1 1 1   -3   25    2 o  324.542   9.5052  285.424   16.669   0.0000   0.0000  285.424   16.669  ?   ?   324.542   9.5052      ?      ? 
1 1 1   -3   25    3 o  223.760   9.1379  135.652   11.049   0.0000   0.0000  135.652   11.049  ?   ?   223.760   9.1379      ?      ? 
1 1 1   -3   25    4 o  559.203   10.963  848.314   33.128   0.0000   0.0000  848.314   33.128  ?   ?   559.203   10.963      ?      ? 
1 1 1   -3   25    5 o  221.867   8.5075  134.173   9.9096  131.464   15.951  135.876   12.646  219.901   13.424  223.833   10.455 -3.931870 17.01509 
1 1 1   -3   25    6 o  420.921   9.7080  480.295   22.081   0.0000   0.0000  480.295   22.081  ?   ?   420.921   9.7080      ?      ? 
1 1 1   -3   25    7 o  400.047   11.929  436.842   25.769  415.090   36.180  459.234   36.710  389.867   17.174  410.228   16.560 -20.36053 23.85768 
1 1 1   -3   25    8 o  436.226   11.854  519.448   27.936  525.901   39.975  513.288   39.057  438.848   16.857  433.605   16.669 5.243530 23.70717 
1 1 1   -3   25    9 o  238.056   15.480  155.845   19.804  157.117   29.643  154.820   26.615  238.710   22.981  237.401   20.747 1.309647 30.96047 
1 1 1   -3   25   10 o  209.068   16.684  122.232   18.516  111.216   28.173  130.608   24.566  200.171   26.046  217.964   20.858 -17.79248 33.36854 
1 1 1   -3   25   11 o  262.486   20.039  189.257   28.423  189.257   28.423   0.0000   0.0000  262.486   20.039  ?   ?       ?      ? 
1 1 1   -3   25   13 f  124.419   15.024   43.280   9.4307   43.100   11.762   43.604   15.780  125.468   17.349  123.370   24.534 2.097794 30.04810 
1 1 1   -3   25   14 o  444.517   14.075  538.739   33.808   0.0000   0.0000  538.739   33.808  ?   ?   444.517   14.075      ?      ? 
1 1 1   -3   25   15 o  343.335   13.228  321.171   24.541   0.0000   0.0000  321.171   24.541  ?   ?   343.335   13.228      ?      ? 
1 1 1   -3   25   16 o  375.838   8.6217  373.516   16.665  350.649   20.352  420.045   29.031  359.250   10.484  392.427   13.690 -33.17645 17.24344 
1 1 1   -3   25   17 o  341.044   9.2172  316.799   16.969  309.234   23.377  325.225   24.671  336.791   12.845  345.297   13.222 -8.506012 18.43447 
1 1 1   -3   25   18 o  458.365   9.9352  574.359   24.601  575.901   34.413  572.748   35.182  459.061   13.873  457.668   14.226 1.392212 19.87044 
1 1 1   -3   25   19 o   81.671   18.542   18.281   9.6521   24.730   13.128   10.694   14.240   92.323   25.481   71.020   26.943 21.30265 37.08379 
1 1 1   -3   25   20 o  186.574   11.279   95.634   11.354   96.599   15.685   94.572   16.458  187.652   15.468  185.495   16.419 2.156799 22.55795 
1 1 1   -3   25   21 o  282.695   9.2844  216.980   14.073  208.086   18.621  228.829   21.492  276.131   12.480  289.259   13.750 -13.12784 18.56882 
1 1 1   -3   25   22 o  161.485   11.976   72.457   10.355   79.910   14.270   64.167   15.050  170.588   15.481  152.381   18.277 18.20697 23.95224 
1 1 1   -3   25   23 o  238.418   9.7161  155.422   12.493  150.969   17.049  160.586   18.359  234.810   13.437  242.027   14.038 -7.216949 19.43218 
1 1 1   -3   25   24 o   51.415   16.082  -4.3292   8.6845  -8.2207   11.155   1.6604   13.838   43.761   20.200   59.068   25.030 -15.30670 32.16476 
1 1 1   -3   25   25 o   70.469   16.603   11.420   8.9241   23.333   11.466  -6.8829   14.212   89.152   23.477   51.785   23.484 37.36692 33.20665 
1 1 1   -3   25   26 o   63.066   16.951   8.3831   7.9392   10.146   11.982   7.0030   10.600   66.473   24.822   59.660   23.090 6.812351 33.90146 
1 1 1   -3   25   28 o   54.838   15.857  -3.2903   7.9221 -12.3934   9.8553   13.333   13.318   37.046   17.675   72.629   26.331 -35.58240 31.71305 
1 1 1   -3   25   29 o  210.662   8.5678  118.426   9.5624  139.482   15.495  105.476   12.152  225.178   12.735  196.145   11.466 29.03317 17.13568 
1 1 1   -3   25   30 o  109.170   14.890   39.829   8.3022   16.563   13.107   55.418   10.729   76.857   26.266  141.483   14.034 -64.62601 29.78008 
1 1 1   -3   25   31 o   94.426   20.524   26.326   10.173   0.0000   0.0000   26.326   10.173  ?   ?    94.426   20.524      ?      ? 
1 1 1   -3   25   32 o  142.223   10.120   56.295   7.7679   53.689   11.051   58.839   10.921  138.848   14.730  145.598   13.880 -6.750122 20.23920 
1 1 1   -3   25   33 o  131.678   10.669   48.465   7.5615   43.153   10.570   54.032   10.821  124.086   15.764  139.270   14.379 -15.18402 21.33710 
1 1 1   -3   25   34 o  161.925   9.1521   72.076   7.9676   81.248   11.992   64.828   10.661  171.044   12.975  152.806   12.911 18.23863 18.30417 
1 1 1   -3   25   35 o   82.114   15.688   20.288   7.1661   24.548   10.575   16.672   9.7445   89.799   21.973   74.429   22.398 15.36942 31.37669 
1 1 1   -3   25   36 o   68.536   16.299   13.386   7.1770   16.389   10.503   10.755   9.8296   73.870   23.435   63.202   22.659 10.66813 32.59850 
1 1 1   -3   25   37 o  168.927   8.5852   79.272   7.8232   86.074   11.356   73.127   10.793  175.887   11.948  161.967   12.332 13.91963 17.17048 
1 1 1   -3   25   38 o   44.026   13.961  -3.0194   6.9281  -0.5081   9.7847  -5.5442   9.8109   46.535   20.383   41.517   19.084 5.018551 27.92239 
1 1 1   -3   25   39 o  187.486   8.2450   97.219   8.3219  108.510   12.381   87.913   11.240  197.368   11.609  177.604   11.711 19.76328 16.49006 
1 1 1   -3   25   40 o   65.242   16.015   11.840   7.0213   16.965   10.497   7.6886   9.4457   73.776   23.430   56.708   21.839 17.06799 32.02976 
1 1 1   -3   25   41 o   92.505   14.541   26.761   7.2714   19.992   10.599   32.780   9.9946   79.141   23.250  105.869   17.471 -26.72841 29.08203 
1 1 1   -3   25   42 o  108.419   12.732   35.327   7.2305   32.422   10.544   37.906   9.9341  102.627   19.730  114.212   16.096 -11.58499 25.46311 
1 1 1   -3   25   43 o  124.618   10.945   44.756   7.3398   47.131   10.982   42.839   9.8670  127.328   15.962  121.908   14.978 5.420570 21.88906 
1 1 1   -3   25   44 o   60.687   15.892   9.7870   6.9940   14.349   10.507   6.1574   9.3719   67.911   23.503   53.464   21.396 14.44698 31.78378 
1 1 1   -3   25   45 o  115.587   13.095   42.515   7.5539   29.701   11.226   53.118   10.212   95.481   22.181  135.692   13.927 -40.21076 26.19098 
1 1 1   -3   25   46 o  111.248   12.774   38.715   7.2374   29.396   10.575   46.926   9.9267   95.484   21.060  127.012   14.463 -31.52802 25.54863 
1 1 1   -3   25   47 f   71.290   16.068   17.514   7.0250   15.515   10.479   19.146   9.4671   67.566   23.468   75.015   21.955 -7.448860 32.13653 
1 1 1   -3   25   48 o  166.854   9.0152   80.483   8.0646   79.411   12.116   81.337   10.806  165.135   13.578  168.572   11.863 -3.436996 18.03035 
1 1 1   -3   25   49 o  138.150   10.852   57.522   7.9077   49.619   11.917   63.739   10.570  127.920   17.241  148.380   13.183 -20.46011 21.70302 
1 1 1   -3   25   50 o  163.735   15.868   96.923   12.097   77.545   20.486  107.297   14.990  139.862   28.082  187.607   14.786 -47.74551 31.73639 
1 1 1   -3   25   51 o   97.615   19.301   38.773   10.204   41.464   18.344   37.568   12.278   93.616   31.070  101.614   22.909 -7.997566 38.60246 
1 1 1   -3   25   52 o   63.497   17.375   14.548   10.051  -4.7793   17.396   24.234   12.315   49.741   23.662   77.253   25.448 -27.51134 34.74926 
1 1 1   -3   26    1 o   97.509   24.607   27.398   12.966   0.0000   0.0000   27.398   12.966  ?   ?    97.509   24.607      ?      ? 
1 1 1   -3   26    2 f   82.303   32.600   11.534   21.544   0.0000   0.0000   11.534   21.544  ?   ?    82.303   32.600      ?      ? 
1 1 1   -3   26    3 o  337.257   17.673  311.712   32.208   0.0000   0.0000  311.712   32.208  ?   ?   337.257   17.673      ?      ? 
1 1 1   -3   26    6 o  213.323   14.144  124.122   16.304  124.122   16.304   0.0000   0.0000  213.323   14.144  ?   ?       ?      ? 
1 1 1   -3   26    7 o   72.495   26.294   12.378   13.283   12.378   13.283   0.0000   0.0000   72.495   26.294  ?   ?       ?      ? 
1 1 1   -3   26    8 o  337.547   9.0492  310.561   16.445  312.838   22.371  307.883   24.258  339.016   12.211  336.077   13.358 2.939423 18.09836 
1 1 1   -3   26    9 o   71.416   16.457   8.9447   9.1397   26.104   12.629  -9.9279   13.244   95.061   24.447   47.770   22.037 47.29121 32.91314 
1 1 1   -3   26   10 o  246.015   9.3616  164.712   12.370  161.959   16.548  168.198   18.624  243.805   12.561  248.225   13.885 -4.420151 18.72312 
1 1 1   -3   26   11 o  232.595   9.5029  146.816   11.857  141.081   15.716  154.392   18.063  227.464   12.786  237.725   14.062 -10.26131 19.00579 
1 1 1   -3   26   12 o   99.980   17.244   29.195   9.1567   30.383   11.973   27.523   14.211  102.675   22.225   97.285   26.372 5.390266 34.48843 
1 1 1   -3   26   13 o  205.176   10.309  114.365   11.345  108.491   15.003  122.207   17.336  199.186   13.939  211.165   15.193 -11.97963 20.61869 
1 1 1   -3   26   14 o   42.317   14.269 -14.9493   8.7433 -12.6554   10.961 -18.9617   14.497   40.054   18.975   44.580   21.316 -4.526176 28.53762 
1 1 1   -3   26   15 o  508.850   14.679  709.234   40.363  709.234   40.363   0.0000   0.0000  508.850   14.679  ?   ?       ?      ? 
1 1 1   -3   26   16 o  172.009   10.767   80.465   9.9657   89.189   14.934   73.462   13.381  180.328   15.326  163.690   15.128 16.63864 21.53444 
1 1 1   -3   26   17 o   54.769   16.292   1.4753   8.1926  -0.0207   11.235   3.1738   11.972   52.102   22.329   57.435   23.731 -5.332340 32.58460 
1 1 1   -3   26   19 o   80.547   17.120   18.444   8.0680   16.202   11.100   20.954   11.747   76.056   24.088   85.037   24.333 -8.980385 34.23902 
1 1 1   -3   26   20 o  390.346   9.9441  415.027   20.975   0.0000   0.0000  415.027   20.975  ?   ?   390.346   9.9441      ?      ? 
1 1 1   -3   26   21 o  181.227   9.1726   89.722   8.9254  104.683   13.034   76.513   12.248  195.527   12.336  166.927   13.578 28.59970 18.34513 
1 1 1   -3   26   22 o  302.548   7.1646  249.387   11.702  256.138   16.997  243.303   16.135  306.398   10.266  298.698   9.9967 7.700592 14.32926 
1 1 1   -3   26   23 o  278.280   7.3257  211.656   10.998  198.389   15.588  224.804   15.518  269.491   10.705  287.070   10.004 -17.57928 14.65142 
1 1 1   -3   26   24 o  119.632   13.379   41.789   8.0880   55.172   11.390   28.179   11.487  141.331   14.914   97.934   22.216 43.39628 26.75800 
1 1 1   -3   26   25 f  142.303   10.676   55.905   8.0544   42.524   11.009   71.318   11.815  123.697   16.470  160.909   13.588 -37.21236 21.35202 
1 1 1   -3   26   26 o  200.548   8.2744  109.387   8.8547   87.346   11.970  136.023   13.159  178.234   12.428  222.861   10.927 -44.62622 16.54889 
1 1 1   -3   26   27 o  177.910   10.353   84.844   9.7196   74.794   12.242  101.982   15.986  164.414   13.780  191.406   15.456 -26.99165 20.70667 
1 1 1   -3   26   28 o  105.286   15.374   33.307   8.4628   27.545   13.071   37.466   11.104   95.264   25.057  115.308   17.822 -20.04311 30.74819 
1 1 1   -3   26   29 o  101.587   14.981   30.239   7.9198   34.189   11.980   27.173   10.556  107.473   21.381   95.701   20.989 11.77224 29.96126 
1 1 1   -3   26   30 o   70.933   16.350   14.341   7.2893   11.182   10.301   17.508   10.316   65.104   23.212   76.761   23.034 -11.65643 32.70092 
1 1 1   -3   26   31 o  223.869   7.7870  138.091   9.4085  137.144   13.620  138.955   13.012  223.021   11.301  224.717   10.716 -1.695831 15.57407 
1 1 1   -3   26   32 o   71.962   15.301   13.735   7.3306   25.787   10.605   2.7063   10.145   92.271   21.643   51.653   21.634 40.61868 30.60131 
1 1 1   -3   26   33 o  109.658   13.150   35.014   7.6202   34.528   11.002   35.462   10.564  107.903   19.590  111.412   17.548 -3.509346 26.30042 
1 1 1   -3   26   34 o  170.052   8.7908   80.313   8.0631   87.403   11.703   73.908   11.125  177.264   12.218  162.840   12.642 14.42317 17.58155 
1 1 1   -3   26   35 o  140.824   9.9904   55.711   7.5740   62.771   11.034   49.421   10.415  149.421   13.666  132.228   14.576 17.19275 19.98073 
1 1 1   -3   26   36 o  302.273   9.6594  252.016   15.777   0.0000   0.0000  252.016   15.777  ?   ?   302.273   9.6594      ?      ? 
1 1 1   -3   26   37 o   85.225   15.692   22.975   7.4638   17.012   10.863   28.308   10.273   74.178   23.865   96.273   20.381 -22.09487 31.38360 
1 1 1   -3   26   38 o   42.973   13.746  -4.6207   6.9398   0.9120   10.226  -9.3449   9.4490   48.717   21.093   37.229   17.631 11.48738 27.49130 
1 1 1   -3   26   39 o   76.857   16.024   18.681   7.1265   20.839   10.292   16.693   9.8774   80.860   22.651   72.854   22.672 8.006477 32.04831 
1 1 1   -3   26   40 f  150.869   9.5416   64.531   7.7586   68.471   11.489   61.227   10.520  154.956   13.721  146.782   13.263 8.173737 19.08328 
1 1 1   -3   26   41 o   60.803   16.027   10.163   7.1167   7.9516   10.307   12.179   9.8388   57.581   22.631   64.026   22.700 -6.445065 32.05378 
1 1 1   -3   26   42 o  139.253   10.616   56.724   7.8736   50.445   11.677   61.957   10.662  131.165   16.476  147.340   13.391 -16.17522 21.23125 
1 1 1   -3   26   43 o  139.534   10.389   56.463   7.8135   58.125   11.527   55.051   10.628  141.145   15.113  137.923   14.260 3.222534 20.77867 
1 1 1   -3   26   44 o   45.181   14.200  -2.0733   7.1412   4.1457   10.391  -7.6386   9.8302   51.611   21.770   38.751   18.239 12.85992 28.40078 
1 1 1   -3   26   45 o  151.406   9.7232   66.132   7.8834   74.635   12.189   60.018   10.336  159.296   14.160  143.516   13.328 15.78032 19.44649 
1 1 1   -3   26   46 o   65.964   15.430   12.846   7.6887  -0.9304   11.372   24.446   10.435   47.067   21.206   84.861   22.421 -37.79413 30.86048 
1 1 1   -3   26   47 o  209.284   8.7381  127.194   9.6429  117.433   14.992  134.082   12.594  200.821   13.815  217.748   10.703 -16.92677 17.47624 
1 1 1   -3   26   48 o  102.934   19.072   43.539   10.809   35.248   19.354   47.297   13.030   87.537   31.741  118.331   21.155 -30.79417 38.14458 
1 1 1   -3   26   49 o   57.598   17.847   9.9239   10.229   7.8716   18.929   10.770   12.156   58.008   26.607   57.188   23.794 0.8198433 35.69407 
1 1 1   -3   26   50 o   49.194   15.481   2.7786   8.2623   2.5432   11.190   3.0608   12.252   48.278   21.443   50.109   22.336 -1.830540 30.96259 
1 1 1   -3   26   51 o   46.739   14.579   3.6142   7.2793   0.5438   10.613   6.3424   10.004   44.051   20.098   49.427   21.123 -5.376118 29.15703 
1 1 1   -3   27    1 o  101.598   15.549   28.319   8.5364   0.0000   0.0000   28.319   8.5364  ?   ?   101.598   15.549      ?      ? 
1 1 1   -3   27    2 o  151.479   11.131   62.487   9.1113   0.0000   0.0000   62.487   9.1113  ?   ?   151.479   11.131      ?      ? 
1 1 1   -3   27    3 o  266.334   7.7179  192.382   11.107   0.0000   0.0000  192.382   11.107  ?   ?   266.334   7.7179      ?      ? 
1 1 1   -3   27    4 o  246.652   9.3228  165.289   12.426   0.0000   0.0000  165.289   12.426  ?   ?   246.652   9.3228      ?      ? 
1 1 1   -3   27    5 o  189.037   9.1026   97.063   9.2982   0.0000   0.0000   97.063   9.2982  ?   ?   189.037   9.1026      ?      ? 
1 1 1   -3   27    6 o  113.625   12.067   34.107   7.2233   42.162   11.959   29.481   9.0631  123.658   17.898  103.592   16.191 20.06612 24.13439 
1 1 1   -3   27    7 o  142.217   10.265   56.744   7.4125   51.171   12.538   59.739   9.1907  136.362   17.015  148.072   11.487 -11.70992 20.52959 
1 1 1   -3   27    8 o  132.845   11.224   48.631   7.4545   47.973   13.307   48.932   8.9990  131.778   18.687  133.911   12.436 -2.133179 22.44711 
1 1 1   -3   27    9 o  233.411   7.9527  148.711   10.009  154.848   13.900  142.104   14.423  238.498   10.786  228.323   11.690 10.17561 15.90545 
1 1 1   -3   27   10 o  353.175   7.2885  339.156   13.905  330.436   19.353  348.461   19.991  348.493   10.277  357.857   10.338 -9.364044 14.57701 
1 1 1   -3   27   11 o  203.345   8.7021  113.101   9.5426  118.607   13.317  107.290   13.681  208.523   11.819  198.167   12.776 10.35606 17.40414 
1 1 1   -3   27   12 o   89.474   15.771   22.635   7.8408   14.185   10.606   32.821   11.644   72.100   23.610  106.847   20.915 -34.74706 31.54172 
1 1 1   -3   27   13 o  216.666   8.3620  128.262   9.7796  135.043   13.827  121.474   13.834  222.461   11.502  210.871   12.141 11.59033 16.72409 
1 1 1   -3   27   14 o  118.167   13.856   39.464   8.3828   26.704   11.387   54.559   12.386   95.707   22.413  140.627   16.299 -44.92001 27.71258 
1 1 1   -3   27   16 o  173.197   9.4738   81.826   8.7961   68.470   11.979   97.455   12.958  157.818   14.046  188.575   12.716 -30.75644 18.94754 
1 1 1   -3   27   17 o   72.322   16.485   13.262   7.9172   4.6250   10.994   22.567   11.411   57.002   23.046   87.642   23.578 -30.64005 32.97044 
1 1 1   -3   27   18 o  176.088   9.1045   84.745   8.6173   73.306   11.815   97.747   12.596  163.333   13.386  188.843   12.344 -25.51010 18.20891 
1 1 1   -3   27   19 o  208.771   8.3956  119.413   9.4678  118.115   13.530  120.659   13.253  207.614   12.060  209.928   11.683 -2.314728 16.79125 
1 1 1   -3   27   20 o  255.828   7.5904  178.961   10.488  184.153   14.789  173.706   14.878  259.615   10.542  252.040   10.924 7.574829 15.18085 
1 1 1   -3   27   21 o  131.053   12.079   48.857   7.9777   32.776   10.986   66.801   11.604  106.424   19.832  155.681   13.794 -49.25709 24.15781 
1 1 1   -3   27   22 o   40.340   13.458 -11.6053   7.6969 -14.9597   10.961  -8.3422   10.811   38.165   18.324   42.516   19.717 -4.351055 26.91684 
1 1 1   -3   27   23 o  171.175   9.4110   80.903   8.7039   79.404   12.293   82.410   12.326  169.555   13.417  172.795   13.200 -3.240097 18.82200 
1 1 1   -3   27   24 o  215.803   8.0147  127.814   9.3313  118.102   12.974  138.220   13.430  207.241   11.586  224.366   11.078 -17.12518 16.02941 
1 1 1   -3   27   25 o  164.909   9.9629   75.108   8.6657   99.031   12.828   55.028   11.753  189.410   12.533  140.408   15.490 49.00188 19.92575 
1 1 1   -3   27   26 o  124.315   13.727   42.982   9.0784   38.430   11.656   50.000   14.474  116.431   18.527  132.199   20.261 -15.76803 27.45495 
1 1 1   -3   27   27 f   56.704   15.745   2.3500   7.8310   14.027   11.528  -7.6540   10.671   71.002   24.617   42.406   19.639 28.59529 31.49063 
1 1 1   -3   27   28 o   71.791   15.336   12.490   7.6834   27.252   11.144  -0.8859   10.608   95.017   22.118   48.565   21.249 46.45238 30.67113 
1 1 1   -3   27   29 o   52.621   15.401   3.1267   7.2320   0.1592   10.172   6.1606   10.285   48.607   21.041   56.635   22.496 -8.028675 30.80249 
1 1 1   -3   27   30 o  198.894   11.467  109.496   12.324   0.0000   0.0000  109.496   12.324  ?   ?   198.894   11.467      ?      ? 
1 1 1   -3   27   31 o   75.372   16.288   17.212   7.3009   14.678   10.340   19.731   10.310   70.540   23.322   80.204   22.743 -9.663528 32.57554 
1 1 1   -3   27   32 o   88.045   15.775   24.241   7.6245   18.955   11.050   29.045   10.534   78.236   23.919   97.854   20.575 -19.61816 31.55078 
1 1 1   -3   27   33 o  324.103   9.7979  289.875   17.159   0.0000   0.0000  289.875   17.159  ?   ?   324.103   9.7979      ?      ? 
1 1 1   -3   27   34 o  243.275   7.5382  163.232   9.8838  177.124   14.615  151.523   13.417  252.741   10.701  233.809   10.620 18.93280 15.07632 
1 1 1   -3   27   35 o  119.602   12.342   41.673   7.9514   39.173   11.430   44.019   11.069  115.710   18.280  123.495   16.587 -7.785339 24.68385 
1 1 1   -3   27   36 o  152.502   10.048   66.208   8.2770   68.365   11.721   64.062   11.690  155.102   13.985  149.902   14.432 5.199631 20.09610 
1 1 1   -3   27   37 o   69.498   14.681   12.313   7.3850  -2.5691   10.356   27.711   10.534   45.030   20.267   93.966   21.245 -48.93552 29.36155 
1 1 1   -3   27   38 o  186.565   8.4019   97.978   8.4691   99.902   12.088   96.122   11.869  188.367   11.876  184.762   11.889 3.605621 16.80384 
1 1 1   -3   27   39 o  195.460   11.650  107.392   12.305   0.0000   0.0000  107.392   12.305  ?   ?   195.460   11.650      ?      ? 
1 1 1   -3   27   40 o   64.511   16.340   12.546   7.2507   10.961   10.197   14.167   10.313   61.742   22.929   67.279   23.285 -5.537052 32.67947 
1 1 1   -3   27   41 o   59.141   15.779   9.2228   7.1312   14.197   10.109   4.2964   10.061   66.841   23.059   51.441   21.545 15.40081 31.55775 
1 1 1   -3   27   42 o  241.612   7.5487  165.067   9.7971  146.044   13.915  183.769   13.796  227.121   11.338  256.103   9.9693 -28.98177 15.09737 
1 1 1   -3   27   43 o   87.596   14.649   25.825   7.4608   13.661   10.616   37.697   10.487   64.406   23.484  110.786   17.518 -46.38012 29.29867 
1 1 1   -3   27   44 o  174.510   9.2661   88.080   8.7282   93.195   12.693   83.492   12.022  179.309   13.100  169.711   13.109 9.598099 18.53227 
1 1 1   -3   27   45 f   66.540   19.118   12.091   9.5666   18.027   19.383   10.179   11.000   73.232   30.222   59.847   23.422 13.38472 38.23518 
1 1 1   -3   27   46 o   46.473   15.592  -8.2361   10.620 -23.4910   18.986  -1.2899   12.812   44.956   22.133   47.990   21.967 -3.034149 31.18347 
1 1 1   -3   27   47 o   99.895   18.669   46.295   11.380   31.104   20.691   52.883   13.625   76.058   31.287  123.732   20.379 -47.67466 37.33857 
1 1 1   -3   27   48 o   47.638   14.568   1.2037   7.4880  -8.6767   10.906   10.016   10.299   38.754   18.518   56.523   22.493 -17.76965 29.13500 
1 1 1   -3   27   49 o   77.628   16.091   24.106   7.5724   17.091   11.163   30.085   10.306   64.867   24.011   90.389   21.426 -25.52187 32.18135 
1 1 1   -3   28    1 o  215.893   8.4635  126.655   9.8736   0.0000   0.0000  126.655   9.8736  ?   ?   215.893   8.4635      ?      ? 
1 1 1   -3   28    2 o  155.208   10.999   65.720   9.2249   0.0000   0.0000   65.720   9.2249  ?   ?   155.208   10.999      ?      ? 
1 1 1   -3   28    3 o  122.828   12.578   41.286   8.3482   0.0000   0.0000   41.286   8.3482  ?   ?   122.828   12.578      ?      ? 
1 1 1   -3   28    4 o  158.977   13.493   69.308   11.591   0.0000   0.0000   69.308   11.591  ?   ?   158.977   13.493      ?      ? 
1 1 1   -3   28    5 o  104.157   14.801   29.848   8.3303   0.0000   0.0000   29.848   8.3303  ?   ?   104.157   14.801      ?      ? 
1 1 1   -3   28    6 o  156.941   10.390   67.160   8.8115   0.0000   0.0000   67.160   8.8115  ?   ?   156.941   10.390      ?      ? 
1 1 1   -3   28    7 o  307.720   7.2013  262.290   11.162  246.396   19.416  270.135   13.641  300.120   11.972  315.321   8.0061 -15.20120 14.40250 
1 1 1   -3   28    8 o  176.480   8.3973   81.925   7.6684   96.532   13.277   74.614   9.3936  187.591   13.098  165.369   10.512 22.22208 16.79467 
1 1 1   -3   28    9 o  160.575   8.8336   70.760   7.3883   70.248   12.160   71.059   9.3024  159.809   14.081  161.340   10.670 -1.530838 17.66710 
1 1 1   -3   28   10 o   90.853   14.369   24.804   7.8087   41.166   10.685   6.0510   11.439  121.954   16.215   59.752   23.728 62.20261 28.73881 
1 1 1   -3   28   11 o  254.327   7.5768  176.233   10.400  185.665   15.172  167.874   14.283  260.717   10.769  247.938   10.661 12.77895 15.15365 
1 1 1   -3   28   12 o  110.727   13.416   34.793   7.8330   37.876   11.124   31.762   11.031  116.668   17.646  104.787   20.214 11.88068 26.83271 
1 1 1   -3   28   13 o  167.740   9.4563   77.095   8.5227   66.360   11.714   89.168   12.423  155.244   13.964  180.236   12.755 -24.99231 18.91269 
1 1 1   -3   28   14 o  136.902   11.618   52.192   8.5561   47.070   12.182   57.179   12.020  130.045   17.335  143.759   15.473 -13.71399 23.23670 
1 1 1   -3   28   15 o   82.754   16.455   19.475   7.7560   14.332   10.339   26.095   11.729   71.583   23.305   93.925   23.238 -22.34232 32.91047 
1 1 1   -3   28   16 o  125.998   11.903   44.170   8.0981   43.631   11.205   44.760   11.717  125.254   16.555  126.742   17.108 -1.488647 23.80693 
1 1 1   -3   28   17 o  186.918   13.168   96.243   13.300   0.0000   0.0000   96.243   13.300  ?   ?   186.918   13.168      ?      ? 
1 1 1   -3   28   19 o  225.742   7.9673  139.935   9.7173  136.774   13.705  143.130   13.780  223.147   11.366  228.337   11.168 -5.190369 15.93462 
1 1 1   -3   28   20 o  159.274   10.010   70.234   8.5704   80.479   12.430   60.952   11.832  170.513   13.491  148.035   14.792 22.47859 20.02001 
1 1 1   -3   28   21 o   70.726   15.361   12.159   7.6767   25.580   10.831  -1.3877   10.882   92.540   21.985   48.913   21.458 43.62670 30.72134 
1 1 1   -3   28   22 o  128.989   15.930   46.591   11.104   0.0000   0.0000   46.591   11.104  ?   ?   128.989   15.930      ?      ? 
1 1 1   -3   28   23 o  187.133   8.9014   96.798   8.9673  108.315   12.895   86.014   12.478  198.087   12.047  176.179   13.107 21.90849 17.80286 
1 1 1   -3   28   24 o  199.595   11.764  110.002   12.688  110.002   12.688   0.0000   0.0000  199.595   11.764  ?   ?       ?      ? 
1 1 1   -3   28   25 o  201.665   9.7879  109.767   10.207  101.332   12.523  126.464   17.619  191.258   12.117  212.072   15.375 -20.81444 19.57577 
1 1 1   -3   28   26 f  123.976   12.499   44.100   8.3053   38.021   11.757   50.156   11.734  114.912   18.934  133.040   16.322 -18.12827 24.99803 
1 1 1   -3   28   27 o  200.537   9.0919  112.954   9.7634  101.374   14.261  123.171   13.395  190.287   13.869  210.787   11.760 -20.49997 18.18375 
1 1 1   -3   28   28 o  135.263   11.363   51.921   8.2458   44.198   11.423   60.325   11.915  124.376   16.996  146.150   15.088 -21.77380 22.72668 
1 1 1   -3   28   29 o  145.684   10.614   60.319   8.3173   62.747   11.396   57.552   12.166  149.213   14.134  142.154   15.838 7.058228 21.22802 
1 1 1   -3   28   30 o  117.225   13.094   40.373   7.9887   32.538   11.032   49.012   11.584  103.619   20.429  130.831   16.385 -27.21198 26.18791 
1 1 1   -3   28   31 o  119.655   13.048   42.006   7.9710   56.682   11.773   29.582   10.832  141.040   15.447   98.269   21.033 42.77155 26.09595 
1 1 1   -3   28   32 o  140.102   10.982   56.263   8.2871   61.317   11.732   51.230   11.707  146.755   14.795  133.448   16.235 13.30722 21.96496 
1 1 1   -3   28   33 o  110.898   14.030   37.463   8.1295   32.421   11.806   42.009   11.211  101.710   22.111  120.087   17.276 -18.37695 28.06034 
1 1 1   -3   28   34 o  194.598   8.4984  106.441   8.9284  107.280   12.401  105.537   12.865  195.570   11.735  193.626   12.296 1.943375 16.99678 
1 1 1   -3   28   35 o  106.205   13.973   34.628   7.7827   36.845   10.566   31.998   11.507  111.849   17.482  100.561   21.804 11.28882 27.94697 
1 1 1   -3   28   36 o  263.762   10.349  193.969   14.750   0.0000   0.0000  193.969   14.750  ?   ?   263.762   10.349      ?      ? 
1 1 1   -3   28   37 o   67.583   16.822   14.028   7.6317   14.749   10.921   13.340   10.669   68.832   23.954   66.335   23.626 2.497231 33.64487 
1 1 1   -3   28   38 o  124.721   12.276   47.190   7.8978   56.507   11.097   37.627   11.243  139.541   14.717  109.900   19.653 29.64124 24.55272 
1 1 1   -3   28   39 o   63.035   16.189   11.668   7.3622   16.218   10.274   6.8647   10.555   70.518   23.244   55.553   22.539 14.96551 32.37732 
1 1 1   -3   28   40 o   43.847   14.111  -2.7232   7.3407  -2.9657   10.392  -2.4817   10.371   43.646   19.904   44.049   20.008 -0.4032516 28.22220 
1 1 1   -3   28   41 o  290.978   9.9943  239.040   15.714   0.0000   0.0000  239.040   15.714  ?   ?   290.978   9.9943      ?      ? 
1 1 1   -3   28   42 o   47.284   16.053  -9.2496   9.5415  -6.4459   20.285 -10.0461   10.812   55.735   26.223   38.834   18.524 16.90100 32.10562 
1 1 1   -3   28   43 o  113.067   20.194   46.496   12.049   52.342   19.731   43.018   15.217  115.840   30.937  110.293   25.963 5.547447 40.38735 
1 1 1   -3   28   44 o  181.009   14.555  113.239   13.165   82.748   20.285  135.428   17.304  151.154   24.835  210.864   15.187 -59.71002 29.11057 
1 1 1   -3   28   45 o   79.963   15.970   23.325   11.751 -28.6261   19.799   51.577   14.600   42.608   21.254  117.318   23.843 -74.71010 31.94096 
1 1 1   -3   28   46 o  127.324   11.841   50.687   8.1223   56.191   11.944   45.952   11.078  133.984   16.497  120.663   16.990 13.32076 23.68172 
1 1 1   -3   28   47 o   49.620   14.648   4.2011   7.2828  -6.1230   10.393   14.162   10.208   38.521   18.314   60.720   22.865 -22.19909 29.29558 
1 1 1   -3   29    1 o  187.719   9.1358   96.013   9.2670   0.0000   0.0000   96.013   9.2670  ?   ?   187.719   9.1358      ?      ? 
1 1 1   -3   29    2 o   43.372   18.750  -0.5260   8.0548   0.0000   0.0000  -0.5260   8.0548  ?   ?    43.372   18.750      ?      ? 
1 1 1   -3   29    3 o  332.619   9.1038  301.444   16.363   0.0000   0.0000  301.444   16.363  ?   ?   332.619   9.1038      ?      ? 
1 1 1   -3   29    4 o  232.322   8.2135  146.836   10.311   0.0000   0.0000  146.836   10.311  ?   ?   232.322   8.2135      ?      ? 
1 1 1   -3   29    5 o  335.274   8.0816  305.761   14.641   0.0000   0.0000  305.761   14.641  ?   ?   335.274   8.0816      ?      ? 
1 1 1   -3   29    6 o  284.173   9.1638  220.103   14.072   0.0000   0.0000  220.103   14.072  ?   ?   284.173   9.1638      ?      ? 
1 1 1   -3   29    7 o  106.683   14.998   31.486   8.6463   0.0000   0.0000   31.486   8.6463  ?   ?   106.683   14.998      ?      ? 
1 1 1   -3   29    8 o   97.433   13.895   27.790   6.9616   24.775   11.237   29.668   8.8683   91.482   22.811  103.383   15.875 -11.90192 27.79073 
1 1 1   -3   29    9 o   85.741   14.967   21.109   6.7400   24.167   10.980   19.259   8.5380   90.339   22.560   81.143   19.676 9.196083 29.93440 
1 1 1   -3   29   10 o  388.739   12.962  416.216   27.229  416.216   27.229   0.0000   0.0000  388.739   12.962  ?   ?       ?      ? 
1 1 1   -3   29   11 o  166.772   10.057   77.077   9.0469   82.015   12.763   72.089   12.826  172.290   13.709  161.255   14.719 11.03447 20.11448 
1 1 1   -3   29   12 o  135.620   11.020   50.883   8.0446   45.307   10.932   57.469   11.881  127.493   15.868  143.746   15.296 -16.25266 22.03960 
1 1 1   -3   29   13 o   80.922   14.913   18.571   7.6464   33.168   10.782   3.8015   10.845  106.776   19.402   55.068   22.652 51.70729 29.82542 
1 1 1   -3   29   14 o  176.061   9.6290   85.837   9.1348   94.412   13.070   77.648   12.772  184.821   13.087  167.300   14.128 17.52048 19.25805 
1 1 1   -3   29   15 o  191.452   8.7156  101.297   8.9964  105.340   12.487   96.933   12.972  195.591   11.815  187.313   12.816 8.278061 17.43119 
1 1 1   -3   29   16 o   78.444   17.165   18.201   8.0191   18.076   11.380   18.323   11.302   78.229   24.334   78.659   24.214 -0.4302139 34.32902 
1 1 1   -3   29   17 o   52.553   15.313   1.0411   7.4195  -5.9286   10.132   9.1013   10.895   42.612   19.516   62.494   23.602 -19.88220 30.62518 
1 1 1   -3   29   18 o   61.193   16.624   8.2597   7.7374   9.2569   10.588   7.1168   11.335   62.254   23.317   60.132   23.701 2.122131 33.24775 
1 1 1   -3   29   20 o  135.096   11.289   51.394   8.2275   51.493   11.324   51.283   11.973  135.399   15.478  134.794   16.438 0.6041260 22.57851 
1 1 1   -3   29   21 o  126.149   11.581   44.885   7.8693   40.196   10.832   50.126   11.452  119.031   16.841  133.267   15.902 -14.23618 23.16227 
1 1 1   -3   29   22 o  167.163   9.7852   78.188   8.8308   78.854   12.264   77.470   12.726  168.038   13.506  166.288   14.163 1.750565 19.57044 
1 1 1   -3   29   23 o   73.828   16.259   15.701   7.9755   25.034   10.919   5.0274   11.677   90.405   22.453   57.252   23.522 33.15259 32.51828 
1 1 1   -3   29   24 o  179.495   10.578   87.805   9.9858   78.335   12.510  104.437   16.578  167.150   13.850  191.841   15.992 -24.69102 21.15609 
1 1 1   -3   29   25 o  103.395   15.221   34.139   8.3859   45.822   11.336   20.017   12.463  126.608   16.569   80.182   25.538 46.42623 30.44190 
1 1 1   -3   29   26 f  197.946   9.0272  110.206   9.5903  103.987   14.146  115.496   13.046  192.279   13.615  203.612   11.857 -11.33257 18.05432 
1 1 1   -3   29   27 o   75.949   16.783   17.336   7.9466   10.917   11.033   24.258   11.456   64.097   23.842   87.802   23.626 -23.70579 33.56501 
1 1 1   -3   29   28 o   98.060   15.356   29.735   7.9228   30.415   11.141   29.040   11.269   99.401   21.377   96.720   22.051 2.680870 30.71222 
1 1 1   -3   29   29 o  228.890   8.0192  146.041   9.9134  144.386   13.770  147.821   14.284  227.636   11.194  230.144   11.486 -2.507660 16.03849 
1 1 1   -3   29   30 o  119.800   12.847   42.472   7.9303   32.054   10.861   54.368   11.606  102.104   20.399  137.497   15.621 -35.39305 25.69314 
1 1 1   -3   29   31 o  406.072   10.230  458.474   22.447   0.0000   0.0000  458.474   22.447  ?   ?   406.072   10.230      ?      ? 
1 1 1   -3   29   32 o  129.731   11.626   48.547   8.0878   41.169   10.880   57.659   12.091  118.510   16.990  140.952   15.875 -22.44238 23.25226 
1 1 1   -3   29   33 o  183.966   9.0764   96.025   9.0082   94.131   13.026   97.761   12.471  181.943   13.249  185.988   12.409 -4.045639 18.15276 
1 1 1   -3   29   34 o  112.187   13.072   37.509   7.9239   37.460   11.148   37.560   11.266  112.165   18.392  112.207   18.580 -0.4206848E-01 26.14348 
1 1 1   -3   29   35 o  110.593   13.449   37.413   7.8540   39.738   11.127   35.104   11.087  115.294   17.861  105.893   20.111 9.400848 26.89752 
1 1 1   -3   29   36 o   85.571   16.538   24.313   7.9298   20.257   10.959   28.771   11.488   77.809   23.827   93.333   22.941 -15.52410 33.07571 
1 1 1   -3   29   37 o   77.430   16.184   19.116   8.0025   31.054   11.606   8.2981   11.049   97.010   22.566   57.851   23.203 39.15847 32.36717 
1 1 1   -3   29   38 o   70.017   17.271   16.958   8.0405   16.121   11.618   17.726   11.139   68.630   24.631   71.403   24.215 -2.773277 34.54102 
1 1 1   -3   29   39 f   74.824   15.294   15.759   8.1975   35.925   12.118  -1.2544   11.131  103.402   22.340   46.246   20.895 57.15591 30.58886 
1 1 1   -3   29   40 o   93.515   21.828   34.820   12.704   35.000   20.456   34.707   16.208   91.529   32.702   95.500   28.920 -3.970490 43.65540 
1 1 1   -3   29   41 o   65.390   19.507   9.9320   11.716   21.216   18.669   2.6014   15.047   75.429   30.194   55.352   24.707 20.07692 39.01439 
1 1 1   -3   29   42 o   56.495   17.895   0.7311   11.367   23.108   18.512 -12.8108   14.401   71.091   29.452   41.900   20.333 29.19070 35.78915 
1 1 1   -3   29   43 o   51.611   15.507   6.3986   7.5578   5.3044   10.716   7.4816   10.661   50.337   21.694   52.884   22.165 -2.547081 31.01477 
1 1 1   -3   29   44 o   50.971   15.476   5.2549   7.7140   8.5584   11.132   2.2029   10.700   54.805   22.783   47.138   20.951 7.666634 30.95147 
1 1 1   -3   29   45 o  158.404   10.215   78.230   8.6931   77.848   12.932   78.544   11.742  156.828   15.260  159.980   13.583 -3.151230 20.42915 
1 1 1   -3   30    1 o  201.754   8.7791  111.132   9.5710   0.0000   0.0000  111.132   9.5710  ?   ?   201.754   8.7791      ?      ? 
1 1 1   -3   30    2 o  113.521   13.771   35.719   8.4476   0.0000   0.0000   35.719   8.4476  ?   ?   113.521   13.771      ?      ? 
1 1 1   -3   30    3 o   57.516   20.407   8.4681   7.9528   0.0000   0.0000   8.4681   7.9528  ?   ?    57.516   20.407      ?      ? 
1 1 1   -3   30    4 o   88.867   17.469   22.918   8.0896   0.0000   0.0000   22.918   8.0896  ?   ?    88.867   17.469      ?      ? 
1 1 1   -3   30    5 o   77.711   19.422   17.806   8.1333   0.0000   0.0000   17.806   8.1333  ?   ?    77.711   19.422      ?      ? 
1 1 1   -3   30    6 f   91.321   17.337   24.160   8.2422   0.0000   0.0000   24.160   8.2422  ?   ?    91.321   17.337      ?      ? 
1 1 1   -3   30    7 o  127.861   25.637   49.561   17.096   0.0000   0.0000   49.561   17.096  ?   ?   127.861   25.637      ?      ? 
1 1 1   -3   30    8 o  368.213   7.7623  371.031   14.688  377.703   25.061  367.541   18.127  369.775   12.542  366.650   9.1493 3.125336 15.52454 
1 1 1   -3   30    9 o  162.170   9.2303   65.176   7.4602   93.806   14.337   54.546   8.7360  183.587   14.452  140.753   11.486 42.83305 18.46052 
1 1 1   -3   30   10 o  345.793   7.6220  326.617   13.493  334.685   23.241  322.515   16.572  348.086   12.356  343.499   8.9281 4.587006 15.24405 
1 1 1   -3   30   11 o  118.873   14.123   41.071   8.5236   59.977   12.650   25.351   11.535  146.217   16.011   91.529   23.271 54.68779 28.24689 
1 1 1   -3   30   12 o   69.107   16.798   12.963   7.9053   18.149   10.795   6.9657   11.609   77.953   23.600   60.262   23.912 17.69126 33.59685 
1 1 1   -3   30   14 f   79.077   16.421   18.286   7.5266   13.949   9.9822   24.000   11.458   69.513   22.912   88.642   23.530 -19.12884 32.84204 
1 1 1   -3   30   15 o   79.364   16.458   19.272   7.5413   21.116   9.9579   16.792   11.548   83.474   21.829   75.254   24.635 8.220062 32.91516 
1 1 1   -3   30   16 o   87.891   14.386   22.158   7.7500   40.353   11.281   5.8970   10.665  118.937   17.553   56.844   22.798 62.09298 28.77233 
1 1 1   -3   30   17 o   44.051   14.160  -4.6446   7.3299  -4.4586   9.8845  -4.8717   10.926   43.009   19.535   45.093   20.503 -2.084126 28.31986 
1 1 1   -3   30   18 o   72.683   16.579   15.126   7.4364   11.354   9.8099   20.221   11.402   64.265   22.679   81.101   24.189 -16.83611 33.15793 
1 1 1   -3   30   19 o  103.543   14.406   32.261   7.7612   34.216   10.758   30.139   11.207  107.423   19.240   99.663   21.446 7.760071 28.81170 
1 1 1   -3   30   20 o  181.347   13.302   92.091   13.036   0.0000   0.0000   92.091   13.036  ?   ?   181.347   13.302      ?      ? 
1 1 1   -3   30   21 o   51.170   15.530   1.3459   7.7171  -0.2486   10.689   3.0815   11.153   48.816   21.345   53.523   22.564 -4.707577 31.06021 
1 1 1   -3   30   22 o   89.533   16.446   25.217   8.1717   30.971   11.506   19.360   11.608  100.303   21.847   78.764   24.589 21.53924 32.89235 
1 1 1   -3   30   23 o  297.814   13.861  250.000   22.307   0.0000   0.0000  250.000   22.307  ?   ?   297.814   13.861      ?      ? 
1 1 1   -3   30   24 o  134.474   12.507   52.121   9.0510   46.151   12.338   59.078   13.318  125.953   18.128  142.995   17.236 -17.04202 25.01396 
1 1 1   -3   30   25 o  192.263   9.3992  102.782   9.6943  117.522   14.821   91.759   12.816  204.052   13.441  180.474   13.142 23.57784 18.79842 
1 1 1   -3   30   26 o  167.759   13.996   79.913   12.687   0.0000   0.0000   79.913   12.687  ?   ?   167.759   13.996      ?      ? 
1 1 1   -3   30   27 o  115.054   13.436   40.101   8.0396   45.352   11.104   34.317   11.655  125.054   16.433  105.053   21.261 20.00053 26.87117 
1 1 1   -3   30   28 o  282.734   7.3881  222.383   11.274  207.920   15.647  237.997   16.258  273.060   10.605  292.409   10.290 -19.34912 14.77614 
1 1 1   -3   30   29 f   84.913   16.510   23.728   8.1873   31.311   11.306   15.369   11.871   99.489   21.647   70.337   24.935 29.15127 33.02029 
1 1 1   -3   30   30 o  192.304   12.782  104.769   13.282   0.0000   0.0000  104.769   13.282  ?   ?   192.304   12.782      ?      ? 
1 1 1   -3   30   31 o  243.476   11.164  166.247   14.688   0.0000   0.0000  166.247   14.688  ?   ?   243.476   11.164      ?      ? 
1 1 1   -3   30   32 o  116.117   13.436   41.523   8.1390   44.832   11.103   37.680   11.966  123.186   16.680  109.049   21.069 14.13708 26.87253 
1 1 1   -3   30   33 o  179.033   12.881   91.653   12.461   0.0000   0.0000   91.653   12.461  ?   ?   179.033   12.881      ?      ? 
1 1 1   -3   30   34 o   44.838   14.281  -3.0626   7.5056   2.5995   10.456  -9.0809   10.780   49.854   21.458   39.821   18.851 10.03305 28.56204 
1 1 1   -3   30   35 o   64.749   16.561   13.080   7.8595   19.466   10.982   6.3767   11.253   74.788   23.989   54.711   22.839 20.07618 33.12220 
1 1 1   -3   30   36 o   67.547   17.180   15.375   8.1518   19.245   11.434   11.374   11.626   73.758   24.531   61.335   24.058 12.42367 34.35932 
1 1 1   -3   30   37 o   56.119   18.374  -2.4245   13.054  -7.8153   21.373   0.7829   16.486   56.275   26.611   55.964   25.344 0.3105812 36.74830 
1 1 1   -3   30   38 o   80.604   21.158   25.136   12.774   16.669   20.490   30.518   16.337   72.215   30.522   88.993   29.310 -16.77809 42.31633 
1 1 1   -3   30   39 o  204.110   13.826  136.935   14.727  118.896   22.621  150.203   19.401  186.989   22.388  221.231   16.229 -34.24161 27.65112 
1 1 1   -3   30   40 o   61.595   17.036   14.481   8.2261   14.511   11.580   14.451   11.688   61.647   24.057   61.543   24.127 0.1031876 34.07172 
1 1 1   -3   30   41 o   52.837   15.367   4.0667   7.9040  -7.3616   11.073   15.939   11.286   39.979   18.977   65.696   24.174 -25.71730 30.73348 
1 1 1   -3   30   42 o   81.942   16.839   26.078   7.9345   23.059   10.986   29.370   11.472   76.530   23.926   87.353   23.700 -10.82327 33.67731 
1 1 1   -3   30   43 o   55.457   16.019   10.312   7.8270   15.382   11.066   5.2367   11.072   61.880   23.685   49.034   21.575 12.84528 32.03839 
1 1 1   -3   31    1 o  124.696   12.310   43.115   8.2946   0.0000   0.0000   43.115   8.2946  ?   ?   124.696   12.310      ?      ? 
1 1 1   -3   31    2 o  122.315   12.387   41.501   8.1872   0.0000   0.0000   41.501   8.1872  ?   ?   122.315   12.387      ?      ? 
1 1 1   -3   31    3 o  103.761   14.461   30.153   8.1080   0.0000   0.0000   30.153   8.1080  ?   ?   103.761   14.461      ?      ? 
1 1 1   -3   31    4 o   45.244   18.874   1.9354   7.6770   0.0000   0.0000   1.9354   7.6770  ?   ?    45.244   18.874      ?      ? 
1 1 1   -3   31    5 o   87.498   16.833   22.361   7.6701   0.0000   0.0000   22.361   7.6701  ?   ?    87.498   16.833      ?      ? 
1 1 1   -3   31    6 o   30.481   14.831 -12.9731   7.7984   0.0000   0.0000 -12.9731   7.7984  ?   ?    30.481   14.831      ?      ? 
1 1 1   -3   31    7 o   70.107   20.248   14.659   8.1003   0.0000   0.0000   14.659   8.1003  ?   ?    70.107   20.248      ?      ? 
1 1 1   -3   31    8 o  165.871   9.7201   75.632   8.7122   0.0000   0.0000   75.632   8.7122  ?   ?   165.871   9.7201      ?      ? 
1 1 1   -3   31    9 o  136.264   9.7962   50.263   6.8287   57.275   12.040   46.938   8.2913  142.394   15.647  130.135   11.791 12.25824 19.59241 
1 1 1   -3   31   10 o   53.799   14.945   2.0651   6.6601   13.236   10.945  -4.5032   8.3926   68.495   23.972   39.102   17.853 29.39311 29.88999 
1 1 1   -3   31   11 o  114.207   13.155   38.887   7.2996   35.563   12.678   40.535   8.9280  108.066   22.444  120.347   13.729 -12.28135 26.31026 
1 1 1   -3   31   12 o  232.654   12.356  150.586   15.534  150.586   15.534   0.0000   0.0000  232.654   12.356  ?   ?       ?      ? 
1 1 1   -3   31   13 o   52.282   15.286   1.0624   7.6725   9.7541   10.601  -8.4998   11.119   62.199   23.324   42.364   19.764 19.83431 30.57139 
1 1 1   -3   31   14 o  149.256   10.476   63.129   8.4148   65.440   11.541   60.507   12.295  152.530   14.003  145.983   15.586 6.547043 20.95244 
1 1 1   -3   31   15 o  100.877   15.435   31.187   8.0997   30.922   10.692   31.545   12.409  101.137   20.270  100.618   23.284 0.5197525 30.87056 
1 1 1   -3   31   16 o   59.008   15.865   6.5805   7.6220   14.988   10.718  -2.0210   10.841   70.779   23.755   47.238   21.036 23.54107 31.73030 
1 1 1   -3   31   17 o  127.750   12.161   46.536   7.9794   34.026   10.608   62.841   12.110  106.710   19.097  148.789   15.063 -42.07839 24.32250 
1 1 1   -3   31   18 o   60.978   16.456   9.2130   7.5221   10.184   9.9144   7.8960   11.547   61.743   22.667   60.214   23.862 1.528542 32.91194 
1 1 1   -3   31   19 o   60.403   16.119   8.8939   7.4849   13.252   9.8758   3.0123   11.473   67.024   22.800   53.781   22.791 13.24317 32.23779 
1 1 1   -3   31   20 o  156.839   15.104   70.164   12.801   0.0000   0.0000   70.164   12.801  ?   ?   156.839   15.104      ?      ? 
1 1 1   -3   31   21 o   79.129   17.008   19.795   7.9421   17.254   10.946   22.619   11.541   74.258   23.963   84.000   24.143 -9.741867 34.01633 
1 1 1   -3   31   22 o  137.695   12.800   55.573   9.1905   55.338   11.603   55.968   15.056  138.786   15.472  136.605   20.396 2.181030 25.60046 
1 1 1   -3   31   23 o  138.678   15.444   55.368   11.573   55.368   11.573   0.0000   0.0000  138.678   15.444  ?   ?       ?      ? 
1 1 1   -3   31   24 o  199.436   9.3517  113.003   10.054  110.360   14.620  115.375   13.848  196.839   13.745  202.034   12.684 -5.194427 18.70349 
1 1 1   -3   31   25 o   63.375   16.918   11.098   7.9368   9.3680   11.065   12.932   11.391   60.531   23.545   66.220   24.299 -5.689922 33.83535 
1 1 1   -3   31   26 o  148.172   10.864   63.484   8.6974   62.320   12.208   64.683   12.394  146.775   15.393  149.569   15.335 -2.794113 21.72766 
1 1 1   -3   31   27 o   84.079   16.485   23.286   7.9808   28.775   10.932   17.022   11.678   95.177   21.734   72.981   24.793 22.19649 32.97066 
1 1 1   -3   31   28 o   94.197   15.546   29.522   8.3135   40.393   11.294   16.667   12.282  116.385   17.959   72.009   25.380 44.37634 31.09139 
1 1 1   -3   31   29 o  100.246   15.147   31.974   7.9250   29.166   10.621   35.503   11.904   95.375   21.161  105.116   21.677 -9.741302 30.29345 
1 1 1   -3   31   30 o  265.317   10.911  198.156   15.643   0.0000   0.0000  198.156   15.643  ?   ?   265.317   10.911      ?      ? 
1 1 1   -3   31   31 o   39.928   13.180  -8.3554   7.3446  -0.8682   9.8312 -17.8117   11.049   44.759   19.975   35.098   17.200 9.660645 26.35992 
1 1 1   -3   31   32 o   54.369   16.034   5.7946   8.0162   10.265   11.228   1.1465   11.449   59.671   23.567   49.067   21.747 10.60345 32.06708 
1 1 1   -3   31   33 f   51.768   17.536 -16.8782   10.205   15.786   22.766 -25.0922   11.417   71.222   31.146   32.313   16.122 38.90823 35.07113 
1 1 1   -3   31   34 o   63.376   19.856   3.4471   13.178   20.225   21.755  -6.2770   16.562   75.516   31.658   51.237   23.975 24.27834 39.71126 
1 1 1   -3   31   35 o   68.677   20.272   9.7831   12.356   28.018   20.835  -0.1088   15.345   83.379   32.344   53.976   24.447 29.40292 40.54319 
1 1 1   -3   31   36 o   70.636   20.180   17.661   12.474   8.0923   18.433   25.743   16.941   61.877   27.501   79.395   29.542 -17.51751 40.36088 
1 1 1   -3   31   37 o   42.017   13.965  -4.9946   8.2133  -0.3066   11.387 -10.0790   11.858   45.066   20.658   38.968   18.798 6.098595 27.93063 
1 1 1   -3   31   38 o   89.495   16.910   30.076   8.4097   34.664   12.033   25.695   11.759   97.430   23.190   81.561   24.618 15.86897 33.82005 
1 1 1   -3   31   39 o   64.330   17.078   15.371   8.0795   13.526   11.480   17.181   11.373   61.546   23.972   67.113   24.332 -5.566639 34.15672 
1 1 1   -3   31   40 o   94.711   16.115   34.050   8.1483   37.605   11.925   30.936   11.160   99.816   22.631   89.605   22.948 10.21033 32.22974 
1 1 1   -3   32    1 o  105.801   14.266   31.582   8.1562   0.0000   0.0000   31.582   8.1562  ?   ?   105.801   14.266      ?      ? 
1 1 1   -3   32    2 o  138.455   11.517   53.291   8.6169   0.0000   0.0000   53.291   8.6169  ?   ?   138.455   11.517      ?      ? 
1 1 1   -3   32    3 f  204.098   8.7160  114.417   9.6127   0.0000   0.0000  114.417   9.6127  ?   ?   204.098   8.7160      ?      ? 
1 1 1   -3   32    4 o  133.133   11.654   49.317   8.3842   0.0000   0.0000   49.317   8.3842  ?   ?   133.133   11.654      ?      ? 
1 1 1   -3   32    5 o  119.722   12.888   40.146   8.3377   0.0000   0.0000   40.146   8.3377  ?   ?   119.722   12.888      ?      ? 
1 1 1   -3   32    6 o  156.627   10.462   67.890   8.8546   0.0000   0.0000   67.890   8.8546  ?   ?   156.627   10.462      ?      ? 
1 1 1   -3   32    7 o  107.515   14.318   32.657   8.3183   0.0000   0.0000   32.657   8.3183  ?   ?   107.515   14.318      ?      ? 
1 1 1   -3   32    8 o  167.295   9.5785   77.165   8.6590   0.0000   0.0000   77.165   8.6590  ?   ?   167.295   9.5785      ?      ? 
1 1 1   -3   32    9 o  138.854   11.672   53.683   8.7579   0.0000   0.0000   53.683   8.7579  ?   ?   138.854   11.672      ?      ? 
1 1 1   -3   32   10 o  116.004   12.532   35.473   7.3084   54.910   12.937   26.363   8.8571  137.938   17.357   94.070   18.081 43.86744 25.06361 
1 1 1   -3   32   11 o  150.132   9.7254   64.710   7.4233   59.730   12.559   67.385   9.2030  144.459   16.089  155.805   10.931 -11.34613 19.45074 
1 1 1   -3   32   12 o   75.366   16.016   18.266   7.1183   12.502   12.495   21.036   8.6613   67.643   25.331   83.088   19.607 -15.44489 32.03254 
1 1 1   -3   32   13 o   43.911   14.190  -6.8271   7.8502   0.5140   10.718 -15.3231   11.530   49.418   21.496   38.404   18.528 11.01485 28.37903 
1 1 1   -3   32   14 o   78.375   17.182   19.436   8.2116   23.886   11.403   14.643   11.835   86.579   23.687   70.172   24.895 16.40732 34.36321 
1 1 1   -3   32   15 o   48.367   15.162  -1.1187   7.8738  -1.2224   11.282  -1.0202   10.994   48.553   21.550   48.181   21.334 0.3718185 30.32374 
1 1 1   -3   32   16 o   44.507   14.133  -3.3983   7.2806   1.4210   9.7715  -9.4124   10.916   48.331   20.772   40.682   19.170 7.648468 28.26566 
1 1 1   -3   32   17 f  147.836   15.327   62.802   12.244   0.0000   0.0000   62.802   12.244  ?   ?   147.836   15.327      ?      ? 
1 1 1   -3   32   18 o   69.685   16.712   15.040   7.5426   16.639   10.152   13.069   11.269   72.651   23.039   66.719   24.216 5.931831 33.42463 
1 1 1   -3   32   19 o   61.686   16.446   10.295   7.5892   12.918   10.061   6.8318   11.561   65.594   22.982   57.778   23.532 7.815655 32.89279 
1 1 1   -3   32   20 o   58.343   15.204   5.6262   7.6569   18.162   10.448  -8.9197   11.254   75.167   23.305   41.519   19.534 33.64720 30.40891 
1 1 1   -3   32   21 o  103.945   16.166   33.731   8.6420   30.325   10.953   39.347   14.066   98.079   21.279  109.812   24.343 -11.73329 32.33229 
1 1 1   -3   32   22 o   56.000   15.800   5.8473   7.6788   12.058   10.321  -1.8512   11.492   64.118   23.190   47.882   21.466 16.23550 31.60028 
1 1 1   -3   32   23 o  104.100   15.005   35.592   8.6354   56.239   12.189   14.788   12.235  138.789   16.253   69.410   25.227 69.37887 30.00917 
1 1 1   -3   32   24 o   83.691   15.875   23.842   7.9779   32.800   10.585   12.062   12.138  102.566   19.817   64.817   24.807 37.74871 31.75021 
1 1 1   -3   32   25 o   56.754   15.993   6.0700   7.7699  -0.9030   10.671   13.939   11.336   46.662   20.819   66.845   24.283 -20.18287 31.98599 
1 1 1   -3   32   26 o   45.484   14.579  -4.0082   7.7099  -8.6877   10.114   2.4835   11.912   38.707   18.304   52.262   22.697 -13.55499 29.15799 
1 1 1   -3   32   27 o   56.549   14.425   2.9063   7.5686   19.974   10.294 -17.1737   11.166   77.363   22.963   35.734   17.465 41.62856 28.85004 
1 1 1   -3   32   28 o   55.823   15.742   4.4257   7.6818  -4.3626   10.039   16.841   11.932   41.494   19.157   70.153   24.985 -28.65942 31.48398 
1 1 1   -3   32   29 o   68.425   17.016   16.134   7.9475   19.091   10.773   12.602   11.772   73.776   23.769   63.074   24.355 10.70168 34.03166 
1 1 1   -3   32   30 o   69.910   20.026   10.596   14.226 -19.3784   22.122   31.734   18.577   51.707   25.117   88.114   31.198 -36.40688 40.05165 
1 1 1   -3   32   31 o  113.240   21.904   48.442   14.434   73.513   22.372   30.563   18.892  139.346   30.553   87.134   31.395 52.21223 43.80848 
1 1 1   -3   32   32 o   78.873   20.073   21.545   13.120  -2.1027   20.330   38.423   17.176   58.247   27.021   99.498   29.690 -41.25119 40.14550 
1 1 1   -3   32   33 o  109.447   20.732   51.487   13.754   31.509   20.327   68.356   18.678   82.875   32.003  136.019   26.364 -53.14448 41.46431 
1 1 1   -3   32   34 o   90.478   17.114   31.920   8.5287   30.332   11.792   33.662   12.350   88.122   24.079   92.834   24.325 -4.711433 34.22786 
1 1 1   -3   32   35 o   43.179   14.223  -4.9683   8.2986   1.6212   11.556 -11.9858   11.925   47.806   21.472   38.551   18.659 9.255188 28.44650 
1 1 1   -3   32   36 f   63.035   16.332   11.659   8.2067   0.2450   11.128   25.270   12.152   45.917   20.806   80.154   25.180 -34.23612 32.66384 
1 1 1   -3   32   37 o   43.619   14.269  -1.9500   8.1112   3.0498   11.036  -7.8233   11.962   47.143   21.093   40.095   19.222 7.048573 28.53710 
1 1 1   -3   33    1 o  134.290   11.788   50.477   8.5537   0.0000   0.0000   50.477   8.5537  ?   ?   134.290   11.788      ?      ? 
1 1 1   -3   33    2 o  136.215   11.782   51.937   8.6724   0.0000   0.0000   51.937   8.6724  ?   ?   136.215   11.782      ?      ? 
1 1 1   -3   33    3 o  122.768   12.967   42.505   8.6021   0.0000   0.0000   42.505   8.6021  ?   ?   122.768   12.967      ?      ? 
1 1 1   -3   33    4 o  163.857   10.270   74.546   9.0932   0.0000   0.0000   74.546   9.0932  ?   ?   163.857   10.270      ?      ? 
1 1 1   -3   33    5 o   84.604   18.781   21.811   8.3620   0.0000   0.0000   21.811   8.3620  ?   ?    84.604   18.781      ?      ? 
1 1 1   -3   33    6 o   72.544   20.022   16.262   8.1059   0.0000   0.0000   16.262   8.1059  ?   ?    72.544   20.022      ?      ? 
1 1 1   -3   33    7 o   35.323   16.619  -7.3259   8.1455   0.0000   0.0000  -7.3259   8.1455  ?   ?    35.323   16.619      ?      ? 
1 1 1   -3   33    8 o  131.334   11.714   48.341   8.3131   0.0000   0.0000   48.341   8.3131  ?   ?   131.334   11.714      ?      ? 
1 1 1   -3   33    9 o   37.871   17.328  -4.0152   7.9599   0.0000   0.0000  -4.0152   7.9599  ?   ?    37.871   17.328      ?      ? 
1 1 1   -3   33   10 o   93.219   15.512   25.062   7.8140   0.0000   0.0000   25.062   7.8140  ?   ?    93.219   15.512      ?      ? 
1 1 1   -3   33   11 f   89.292   14.336   26.733   6.9545   15.408   11.295   33.647   8.8258   70.459   24.370  108.125   15.106 -37.66655 28.67201 
1 1 1   -3   33   12 o   68.643   15.147   10.447   6.3924   26.779   11.651   3.4135   7.6459   90.806   23.547   46.480   19.058 44.32636 30.29316 
1 1 1   -3   33   13 o   87.478   15.619   23.324   6.9018   27.658   12.745   21.525   8.2098   91.265   25.072   83.690   18.633 7.575447 31.23771 
1 1 1   -3   33   14 o  113.883   14.574   40.209   8.6926   45.991   12.180   34.208   12.409  124.510   18.104  103.257   22.845 21.25259 29.14882 
1 1 1   -3   33   15 o   80.337   16.768   21.087   7.7756   21.948   10.399   19.995   11.711   82.505   22.640   78.170   24.740 4.334625 33.53531 
1 1 1   -3   33   16 o  103.940   15.087   34.042   8.1622   35.015   11.083   32.888   12.066  106.477   19.996  101.403   22.598 5.073395 30.17492 
1 1 1   -3   33   17 o  139.179   11.744   56.731   8.5385   75.747   12.492   40.056   11.698  162.551   14.221  115.808   18.693 46.74374 23.48782 
1 1 1   -3   33   18 o  110.027   14.986   38.319   8.6426   44.806   11.955   31.217   12.509  122.649   18.038   97.405   23.937 25.24453 29.97238 
1 1 1   -3   33   19 o  125.531   12.985   47.533   8.7442   49.043   11.839   45.721   12.971  128.620   17.034  122.441   19.604 6.179596 25.97084 
1 1 1   -3   33   20 o  135.805   13.323   56.190   9.5385   57.191   12.346   54.707   15.024  139.107   16.424  132.504   20.984 6.602173 26.64678 
1 1 1   -3   33   21 o  107.201   16.205   39.259   8.9733   44.557   11.302   30.225   14.758  122.287   17.104   92.114   27.530 30.17293 32.41036 
1 1 1   -3   33   22 o   58.476   16.425   7.4379   8.2949   14.572   11.290  -0.9313   12.228   67.624   24.280   49.328   22.127 18.29570 32.84970 
1 1 1   -3   33   23 o   59.369   16.774   8.7589   8.0490   5.8062   10.463   13.040   12.598   53.498   22.151   65.239   25.194 -11.74099 33.54722 
1 1 1   -3   33   24 o   86.627   17.112   26.267   8.3117   23.860   11.307   29.096   12.259   82.436   23.957   90.817   24.442 -8.381065 34.22438 
1 1 1   -3   33   25 o   65.232   15.263   5.8006   8.0381 -10.9937   10.364   31.155   12.734   37.031   17.790   93.433   24.806 -56.40234 30.52589 
1 1 1   -3   33   26 o   69.862   20.894   10.780   12.097   30.608   23.786   3.8623   14.049   84.312   33.965   55.413   24.344 28.89926 41.78757 
1 1 1   -3   33   27 o   69.531   21.295   13.176   14.684   15.311   21.863   11.421   19.819   71.626   30.927   67.436   29.281 4.190048 42.59005 
1 1 1   -3   33   28 o   67.500   20.269   6.4838   14.020   28.153   20.615 -12.1667   19.125   83.504   32.234   51.496   24.584 32.00819 40.53831 
1 1 1   -3   33   29 o   71.084   21.003   17.194   13.853   8.6261   19.887   25.270   19.308   63.691   28.418   78.477   30.933 -14.78576 42.00536 
1 1 1   -3   33   30 o  149.931   11.420   70.783   9.2027   72.206   12.518   69.109   13.575  152.830   15.158  147.032   17.086 5.798416 22.84084 
1 1 1   -3   33   31 o  172.822   14.382   91.778   13.431   0.0000   0.0000   91.778   13.431  ?   ?   172.822   14.382      ?      ? 
1 1 1   -3   33   32 o   74.219   17.521   21.224   8.2436   20.972   11.416   21.499   11.917   74.021   24.507   74.418   25.047 -0.3970108 35.04223 
1 1 1   -3   33   33 o  148.671   10.828   68.776   8.6546   73.276   12.003   63.902   12.491  154.941   14.336  142.402   16.233 12.53809 21.65672 
1 1 1   -3   33   34 o   46.522   14.722  -1.9226   7.9571 -12.4272   10.422   12.756   12.320   34.636   16.916   58.408   24.098 -23.77221 29.44301 
1 1 1   -3   34    1 o  141.516   11.320   56.169   8.6565   0.0000   0.0000   56.169   8.6565  ?   ?   141.516   11.320      ?      ? 
1 1 1   -3   34    2 f   69.459   20.222   15.053   8.0502   0.0000   0.0000   15.053   8.0502  ?   ?    69.459   20.222      ?      ? 
1 1 1   -3   34    3 o   78.462   19.042   19.058   7.9917   0.0000   0.0000   19.058   7.9917  ?   ?    78.462   19.042      ?      ? 
1 1 1   -3   34    4 o  124.037   12.672   43.551   8.4935   0.0000   0.0000   43.551   8.4935  ?   ?   124.037   12.672      ?      ? 
1 1 1   -3   34    5 o  147.001   10.933   60.462   8.6844   0.0000   0.0000   60.462   8.6844  ?   ?   147.001   10.933      ?      ? 
1 1 1   -3   34    6 o   98.692   15.042   28.096   8.0219   0.0000   0.0000   28.096   8.0219  ?   ?    98.692   15.042      ?      ? 
1 1 1   -3   34    7 o   34.729   16.247  -6.0843   7.5990   0.0000   0.0000  -6.0843   7.5990  ?   ?    34.729   16.247      ?      ? 
1 1 1   -3   34    8 o   37.707   17.086  -2.8538   7.5045   0.0000   0.0000  -2.8538   7.5045  ?   ?    37.707   17.086      ?      ? 
1 1 1   -3   34    9 o   42.334   18.442   0.1889   7.9141   0.0000   0.0000   0.1889   7.9141  ?   ?    42.334   18.442      ?      ? 
1 1 1   -3   34   10 o   89.319   16.973   24.134   7.8927   0.0000   0.0000   24.134   7.8927  ?   ?    89.319   16.973      ?      ? 
1 1 1   -3   34   11 o   60.728   20.663   11.179   8.1114   0.0000   0.0000   11.179   8.1114  ?   ?    60.728   20.663      ?      ? 
1 1 1   -3   34   12 o  150.744   9.9802   64.162   7.7085   70.203   13.402   61.176   9.4234  154.518   16.051  146.971   11.866 7.547119 19.96038 
1 1 1   -3   34   13 o   44.953   14.143  -0.4694   6.7121  -3.0923   11.463   0.8990   8.2798   46.122   20.983   43.784   18.969 2.337688 28.28627 
1 1 1   -3   34   14 o   97.044   14.834   27.047   7.1969   41.599   12.979   20.586   8.6483  113.698   21.919   80.391   19.992 33.30757 29.66743 
1 1 1   -3   34   15 o   61.751   16.637   7.0208   8.5033   21.034   12.914  -3.7047   11.298   78.281   26.073   45.222   20.673 33.05913 33.27427 
1 1 1   -3   34   16 o   51.669   15.626   3.3475   7.6397   2.3260   9.9589   4.8081   11.909   48.696   20.950   54.642   23.191 -5.946095 31.25278 
1 1 1   -3   34   17 o   54.936   16.183   5.7231   8.1367   9.3686   10.897   1.1287   12.233   58.941   23.236   50.932   22.530 8.009342 32.36578 
1 1 1   -3   34   18 o   70.914   17.210   17.229   7.8961   17.232   10.255   17.224   12.375   71.151   23.212   70.677   25.416 0.4742737 34.42012 
1 1 1   -3   34   19 o   63.576   17.562   12.735   8.9225   15.914   11.229   7.2905   14.696   68.144   24.241   59.008   25.418 9.136036 35.12422 
1 1 1   -3   34   20 o   43.549   14.546 -11.1372   8.5982 -18.7287   10.840   1.7399   14.119   33.811   16.661   53.286   23.848 -19.47530 29.09157 
1 1 1   -3   34   21 f  138.165   14.388   58.593   10.235   79.887   16.178   44.383   13.215  160.447   18.659  115.884   21.907 44.56254 28.77647 
1 1 1   -3   34   22 o   58.087   19.458  -9.4496   16.740 -26.1937   26.433   1.7633   21.631   54.245   26.588   61.928   28.419 -7.682987 38.91695 
1 1 1   -3   34   23 f  148.473   21.718   82.207   16.697   90.608   25.740   76.104   21.939  153.041   32.147  143.906   29.211 9.135162 43.43634 
1 1 1   -3   34   24 o   56.551   18.846  -6.1847   14.916  -8.4234   22.148  -4.3266   20.177   56.524   26.833   56.579   26.470 -0.5475616E-01 37.69225 
1 1 1   -3   34   25 o   61.932   19.623   7.1854   13.997  -3.2703   21.065   15.450   18.729   56.330   26.570   67.535   28.884 -11.20562 39.24551 
1 1 1   -3   34   26 o   73.818   19.241   23.513   9.7609   23.499   11.163   23.559   20.116   77.345   24.108   70.290   29.994 7.054977 38.48182 
1 1 1   -3   34   27 o   53.408   15.811   7.3005   8.1822   13.729   10.851  -1.1716   12.457   60.899   23.420   45.917   21.248 14.98221 31.62236 
1 1 1   -3   34   28 o   49.186   15.199   2.4733   8.0800   8.9525   10.783  -5.8229   12.202   55.381   22.661   42.991   20.261 12.38960 30.39787 
1 1 1   -3   34   29 o  103.059   15.546   37.411   8.3886   32.471   11.386   43.276   12.406   94.718   22.567  111.400   21.387 -16.68248 31.09136 
1 1 1   -3   34   30 o   57.513   15.915   9.0420   8.3636   22.008   11.667  -4.6643   11.996   72.748   24.782   42.278   19.975 30.47060 31.82967 
1 1 1   -3   35    1 o   74.507   20.146   17.792   8.3054   0.0000   0.0000   17.792   8.3054  ?   ?    74.507   20.146      ?      ? 
1 1 1   -3   35    2 o   72.970   20.145   17.066   8.2043   0.0000   0.0000   17.066   8.2043  ?   ?    72.970   20.145      ?      ? 
1 1 1   -3   35    3 o  109.682   14.903   35.123   8.8330   0.0000   0.0000   35.123   8.8330  ?   ?   109.682   14.903      ?      ? 
1 1 1   -3   35    4 o   48.876   19.450   5.2355   7.7016   0.0000   0.0000   5.2355   7.7016  ?   ?    48.876   19.450      ?      ? 
1 1 1   -3   35    5 o   38.244   17.213  -1.9588   7.4704   0.0000   0.0000  -1.9588   7.4704  ?   ?    38.244   17.213      ?      ? 
1 1 1   -3   35    6 o   49.395   19.632   5.4922   7.8373   0.0000   0.0000   5.4922   7.8373  ?   ?    49.395   19.632      ?      ? 
1 1 1   -3   35    7 o  137.688   11.599   53.916   8.6299   0.0000   0.0000   53.916   8.6299  ?   ?   137.688   11.599      ?      ? 
1 1 1   -3   35    8 o   89.772   17.918   25.197   8.3875   0.0000   0.0000   25.197   8.3875  ?   ?    89.772   17.918      ?      ? 
1 1 1   -3   35    9 o   45.642   19.303   2.8752   8.2035   0.0000   0.0000   2.8752   8.2035  ?   ?    45.642   19.303      ?      ? 
1 1 1   -3   35   10 o   71.606   19.860   16.823   7.9536   0.0000   0.0000   16.823   7.9536  ?   ?    71.606   19.860      ?      ? 
1 1 1   -3   35   11 o   51.095   19.712   6.9686   7.7064   0.0000   0.0000   6.9686   7.7064  ?   ?    51.095   19.712      ?      ? 
1 1 1   -3   35   12 f   59.306   20.893   11.149   8.3218   0.0000   0.0000   11.149   8.3218  ?   ?    59.306   20.893      ?      ? 
1 1 1   -3   35   13 o   96.696   15.322   30.381   7.4926   34.302   12.876   28.374   9.2132   99.016   24.256   94.376   18.727 4.640045 30.64390 
1 1 1   -3   35   14 o   83.569   16.591   23.075   7.3615   27.680   13.334   21.056   8.8288   87.108   26.198   80.030   20.365 7.078453 33.18269 
1 1 1   -3   35   15 o   52.701   15.686   5.3760   7.2974   2.3604   13.387   6.6509   8.7043   53.321   23.579   52.081   20.693 1.239613 31.37143 
1 1 1   -3   35   16 o  147.120   15.218   59.541   10.740  147.320   18.915   17.777   13.047  222.486   15.733   71.755   26.055 150.7303 30.43669 
1 1 1   -3   35   17 o  139.299   23.265   73.078   16.906   98.761   27.874   58.131   21.264  157.396   33.783  121.203   31.997 36.19331 46.53063 
1 1 1   -3   35   18 o   55.632   27.060 -20.1892   25.909 -20.1892   25.909   0.0000   0.0000   55.632   27.060  ?   ?       ?      ? 
1 1 1   -3   35   19 o   44.800   22.481 -46.1036   23.721 -46.1036   23.721   0.0000   0.0000   44.800   22.481  ?   ?       ?      ? 
1 1 1   -3   35   20 o   60.996   27.990   7.1059   20.982   0.0000   0.0000   7.1059   20.982  ?   ?    60.996   27.990      ?      ? 
1 1 1   -3   35   21 o   58.429   19.361   5.3661   15.733  -5.6667   23.763   13.977   20.994   54.140   26.236   62.717   28.480 -8.577171 38.72299 
1 1 1   -3   35   22 o   48.946   15.120   0.3920   8.5967   13.135   11.592 -15.1847   12.816   59.957   23.861   37.936   18.576 22.02155 30.23969 
1 1 1   -3   35   23 o   75.334   17.724   22.231   8.4444   22.668   11.479   21.716   12.466   76.691   24.518   73.977   25.601 2.714005 35.44761 
1 1 1   -3   35   24 o   69.453   16.188   15.144   8.4990   0.0587   11.708   31.949   12.357   46.774   21.251   92.131   24.425 -45.35654 32.37603 
1 1 1   -3   35   25 o  104.259   16.031   39.380   8.7485   34.544   11.713   45.481   13.156   96.653   22.797  111.865   22.544 -15.21153 32.06124 
1 1 1   -3   35   26 o  161.767   10.843   82.289   9.4360   77.646   12.650   88.113   14.168  157.346   14.878  166.188   15.777 -8.842377 21.68561 
1 1 1   -3   36    1 o   70.816   21.649   16.662   9.0517   0.0000   0.0000   16.662   9.0517  ?   ?    70.816   21.649      ?      ? 
1 1 1   -3   36    2 o  133.069   12.331   50.821   8.8666   0.0000   0.0000   50.821   8.8666  ?   ?   133.069   12.331      ?      ? 
1 1 1   -3   36    3 o  146.660   17.052   65.021   13.514   0.0000   0.0000   65.021   13.514  ?   ?   146.660   17.052      ?      ? 
1 1 1   -3   36    4 f  150.059   16.103   67.272   13.057   0.0000   0.0000   67.272   13.057  ?   ?   150.059   16.103      ?      ? 
1 1 1   -3   36    5 o  147.956   11.309   62.224   9.0417   0.0000   0.0000   62.224   9.0417  ?   ?   147.956   11.309      ?      ? 
1 1 1   -3   36    6 o  106.288   19.689   35.969   10.892   0.0000   0.0000   35.969   10.892  ?   ?   106.288   19.689      ?      ? 
1 1 1   -3   36    7 o   76.988   20.304   19.366   8.5678   0.0000   0.0000   19.366   8.5678  ?   ?    76.988   20.304      ?      ? 
1 1 1   -3   36    8 o   60.940   21.215   11.726   8.5664   0.0000   0.0000   11.726   8.5664  ?   ?    60.940   21.215      ?      ? 
1 1 1   -3   36    9 o   71.332   20.997   16.898   8.6371   0.0000   0.0000   16.898   8.6371  ?   ?    71.332   20.997      ?      ? 
1 1 1   -3   36   10 o   34.488   16.367  -7.4865   8.2253   0.0000   0.0000  -7.4865   8.2253  ?   ?    34.488   16.367      ?      ? 
1 1 1   -3   36   11 o   51.400   21.046   6.1763   9.3080   0.0000   0.0000   6.1763   9.3080  ?   ?    51.400   21.046      ?      ? 
1 1 1   -3   36   12 o  101.029   22.924   36.186   12.228   0.0000   0.0000   36.186   12.228  ?   ?   101.029   22.924      ?      ? 
1 1 1   -3   36   13 o   57.541   23.692   10.566   11.878   0.0000   0.0000   10.566   11.878  ?   ?    57.541   23.692      ?      ? 
1 1 1   -3   36   14 o   53.371   22.545   8.1275   11.170   0.0000   0.0000   8.1275   11.170  ?   ?    53.371   22.545      ?      ? 
1 1 1   -3   36   15 o   31.847   15.851 -20.2822   10.760   0.0000   0.0000 -20.2822   10.760  ?   ?    31.847   15.851      ?      ? 
1 1 1   -3   36   16 o   60.870   23.057   13.299   10.418   0.0000   0.0000   13.299   10.418  ?   ?    60.870   23.057      ?      ? 
1 1 1   -3   36   17 o   56.831   17.074   7.6848   9.9624   15.516   12.482  -6.0608   16.537   64.802   25.063   48.859   23.193 15.94275 34.14740 
1 1 1   -3   36   18 f   54.631   16.769   6.4485   9.4409   10.833   11.811  -1.3108   15.712   58.432   23.791   50.830   23.639 7.601635 33.53843 
1 1 1   -3   36   19 o   76.323   17.166   22.853   9.2277   8.6239   13.493   35.354   12.647   56.168   24.275   96.478   24.279 -40.31036 34.33251 
1 1 1   -3   36   20 o   62.335   17.195   15.209   8.3583   15.646   11.146   14.648   12.634   63.196   23.870   61.474   24.757 1.722157 34.39061 
1 1 1   -3   36   21 o   59.189   16.215   8.8255   8.3224  -3.6389   10.878   26.423   12.925   41.017   19.268   77.361   26.085 -36.34340 32.42931 
1 1 1   -3   37    1 o  108.263   22.857   42.341   12.952   0.0000   0.0000   42.341   12.952  ?   ?   108.263   22.857      ?      ? 
1 1 1   -3   37    2 o   37.183   18.186 -15.3109   12.175   0.0000   0.0000 -15.3109   12.175  ?   ?    37.183   18.186      ?      ? 
1 1 1   -3   37    3 o   37.852   18.433 -13.8806   12.120   0.0000   0.0000 -13.8806   12.120  ?   ?    37.852   18.433      ?      ? 
1 1 1   -3   37    4 o   53.761   24.625   2.6036   16.136   0.0000   0.0000   2.6036   16.136  ?   ?    53.761   24.625      ?      ? 
1 1 1   -3   37   11 f   48.424   22.443  -0.3742   13.977   0.0000   0.0000  -0.3742   13.977  ?   ?    48.424   22.443      ?      ? 
1 1 1   -3   37   12 o   40.175   19.420 -10.3583   12.820   0.0000   0.0000 -10.3583   12.820  ?   ?    40.175   19.420      ?      ? 
1 1 1   -3   37   13 o   40.450   19.480  -8.8274   12.610   0.0000   0.0000  -8.8274   12.610  ?   ?    40.450   19.480      ?      ? 
1 1 1   -3   37   14 o   40.071   19.225  -7.6408   12.014   0.0000   0.0000  -7.6408   12.014  ?   ?    40.071   19.225      ?      ? 
1 1 1   -2    0    2 o  836.080   10.091  1890.59   64.431  1890.59   64.431  1890.59   64.431  836.080   14.271  836.080   14.271 0.000000 0.000000 
1 1 1   -2    0    3 o  1401.74   16.639  5315.79  178.127  5315.79  178.127  5315.79  178.127  1401.74   23.531  1401.74   23.531 0.000000 0.000000 
1 1 1   -2    0    4 o  894.064   10.761  2162.15   73.474  2162.15   73.474  2162.15   73.474  894.064   15.218  894.064   15.218 0.000000 0.000000 
1 1 1   -2    0    5 o  580.308   7.1963  910.863   31.891  910.863   31.891  910.863   31.891  580.308   10.177  580.308   10.177 0.000000 0.000000 
1 1 1   -2    0    6 o  413.732   5.3881  463.018   17.023  463.018   17.023  463.018   17.023  413.732   7.6200  413.732   7.6200 0.000000 0.000000 
1 1 1   -2    0    7 o  1374.00   16.331  5110.89  171.361  5110.89  171.361  5110.89  171.361  1374.00   23.095  1374.00   23.095 0.000000 0.000000 
1 1 1   -2    0    8 o  102.950   2.9697   28.780   2.3275   28.780   2.3275   28.780   2.3275  102.950   4.1998  102.950   4.1998 0.000000 0.000000 
1 1 1   -2    0    9 o  466.479   5.9728  588.584   21.276  588.584   21.276  588.584   21.276  466.479   8.4468  466.479   8.4468 0.000000 0.000000 
1 1 1   -2    0   10 o  859.421   10.378  1998.31   68.114  1998.31   68.114  1998.31   68.114  859.421   14.677  859.421   14.677 0.000000 0.000000 
1 1 1   -2    0   11 o  1768.04   20.951  8470.37  282.897  8470.37  282.897  8470.37  282.897  1768.04   29.629  1768.04   29.629 0.000000 0.000000 
1 1 1   -2    0   12 o  412.196   5.4277  459.587   17.084  459.587   17.084  459.587   17.084  412.196   7.6759  412.196   7.6759 0.000000 0.000000 
1 1 1   -2    0   13 o  741.093   9.0405  1485.67   51.165  1485.67   51.165  1485.67   51.165  741.093   12.785  741.093   12.785 0.000000 0.000000 
1 1 1   -2    0   14 o  1359.51   16.172  5002.81  167.907  5002.81  167.907  5002.81  167.907  1359.51   22.870  1359.51   22.870 0.000000 0.000000 
1 1 1   -2    0   15 o  1394.63   16.581  5265.33  176.602  5265.33  176.602  5265.33  176.602  1394.63   23.449  1394.63   23.449 0.000000 0.000000 
1 1 1   -2    0   16 o  1035.53   12.420  2901.81   98.221  2901.81   98.221  2901.81   98.221  1035.53   17.564  1035.53   17.564 0.000000 0.000000 
1 1 1   -2    0   17 o  1381.79   16.448  5170.26  173.575  5170.26  173.575  5170.26  173.575  1381.79   23.261  1381.79   23.261 0.000000 0.000000 
1 1 1   -2    0   18 o  1912.44   22.681  9918.18  331.266  9918.18  331.266  9918.18  331.266  1912.44   32.076  1912.44   32.076 0.000000 0.000000 
1 1 1   -2    0   19 o  220.361   3.8489  131.452   6.4725  131.452   6.4725  131.452   6.4725  220.361   5.4432  220.361   5.4432 0.000000 0.000000 
1 1 1   -2    0   20 o  1192.44   14.267  3853.09  129.928  3853.09  129.928  3853.09  129.928  1192.44   20.177  1192.44   20.177 0.000000 0.000000 
1 1 1   -2    0   21 o  166.945   3.7908   75.546   4.8249   75.546   4.8249   75.546   4.8249  166.945   5.3610  166.945   5.3610 0.000000 0.000000 
1 1 1   -2    0   22 o  145.036   3.8803   57.088   4.2868   57.088   4.2868   57.088   4.2868  145.036   5.4876  145.036   5.4876 0.000000 0.000000 
1 1 1   -2    0   23 o   90.068   4.8155   22.298   3.2709   22.298   3.2709   22.298   3.2709   90.068   6.8101   90.068   6.8101 0.000000 0.000000 
1 1 1   -2    0   24 o  516.556   6.6325  722.060   26.162  722.060   26.162  722.060   26.162  516.556   9.3797  516.556   9.3797 0.000000 0.000000 
1 1 1   -2    0   25 o  863.717   10.496  2020.59   69.230  2020.59   69.230  2020.59   69.230  863.717   14.843  863.717   14.843 0.000000 0.000000 
1 1 1   -2    0   26 o  470.501   6.1720  599.051   22.174  599.051   22.174  599.051   22.174  470.501   8.7285  470.501   8.7285 0.000000 0.000000 
1 1 1   -2    0   27 o  291.362   6.5188  230.180   14.482  230.180   14.482  230.180   14.482  291.362   9.2190  291.362   9.2190 0.000000 0.000000 
1 1 1   -2    0   30 o   55.968   10.834   10.161   4.0064   10.161   4.0064   10.161   4.0064   55.968   15.322   55.968   15.322 0.000000 0.000000 
1 1 1   -2    0   31 o  653.437   8.1777  1155.43   40.807  1155.43   40.807  1155.43   40.807  653.437   11.565  653.437   11.565 0.000000 0.000000 
1 1 1   -2    0   32 o  261.946   4.5707  185.757   9.1369  185.757   9.1369  185.757   9.1369  261.946   6.4639  261.946   6.4639 0.000000 0.000000 
1 1 1   -2    0   33 o  556.707   7.1504  838.521   30.397  838.521   30.397  838.521   30.397  556.707   10.112  556.707   10.112 0.000000 0.000000 
1 1 1   -2    0   34 o  705.610   8.7690  1347.33   47.251  1347.33   47.251  1347.33   47.251  705.610   12.401  705.610   12.401 0.000000 0.000000 
1 1 1   -2    0   35 o  436.839   5.9936  516.330   19.991  516.330   19.991  516.330   19.991  436.839   8.4762  436.839   8.4762 0.000000 0.000000 
1 1 1   -2    0   36 o  953.355   11.570  2460.79   84.239  2460.79   84.239  2460.79   84.239  953.355   16.363  953.355   16.363 0.000000 0.000000 
1 1 1   -2    0   37 o  1301.40   15.587  4591.19  154.919  4591.19  154.919  4591.19  154.919  1301.40   22.044  1301.40   22.044 0.000000 0.000000 
1 1 1   -2    0   38 o  840.028   10.316  1910.68   66.180  1910.68   66.180  1910.68   66.180  840.028   14.590  840.028   14.590 0.000000 0.000000 
1 1 1   -2    0   39 o  611.277   7.8592  1011.31   36.685  1011.31   36.685  1011.31   36.685  611.277   11.115  611.277   11.115 0.000000 0.000000 
1 1 1   -2    0   40 o  877.751   10.764  2086.61   72.156  2086.61   72.156  2086.61   72.156  877.751   15.223  877.751   15.223 0.000000 0.000000 
1 1 1   -2    0   41 o   77.995   13.810   19.253   7.1202   19.253   7.1202   19.253   7.1202   77.995   19.530   77.995   19.530 0.000000 0.000000 
1 1 1   -2    0   42 f  310.829   5.5265  261.656   13.109  261.656   13.109  261.656   13.109  310.829   7.8157  310.829   7.8157 0.000000 0.000000 
1 1 1   -2    0   43 f  508.565   6.9147  700.178   26.851  700.178   26.851  700.178   26.851  508.565   9.7789  508.565   9.7789 0.000000 0.000000 
1 1 1   -2    0   44 o   79.192   13.721   19.755   7.1919   19.755   7.1919   19.755   7.1919   79.192   19.404   79.192   19.404 0.000000 0.000000 
1 1 1   -2    0   45 o   42.450   16.236   6.9362   7.3601   6.9362   7.3601   6.9362   7.3601   42.450   22.962   42.450   22.962 0.000000 0.000000 
1 1 1   -2    0   46 o  945.230   16.428  2436.94  118.502  2436.94  118.502  2436.94  118.502  945.230   23.232  945.230   23.232 0.000000 0.000000 
1 1 1   -2    0   47 o   74.271   20.285   20.523   10.927   20.523   10.927   20.523   10.927   74.271   28.687   74.271   28.687 0.000000 0.000000 
1 1 1   -2    0   48 o  524.869   10.078  749.099   40.355  749.099   40.355  749.099   40.355  524.869   14.252  524.869   14.252 0.000000 0.000000 
1 1 1   -2    0   49 o  232.272   7.9689  147.230   14.069  147.230   14.069  147.230   14.069  232.272   11.270  232.272   11.270 0.000000 0.000000 
1 1 1   -2    0   50 o   30.985   13.688   1.5776   6.6377   1.5776   6.6377   1.5776   6.6377   30.985   19.357   30.985   19.357 0.000000 0.000000 
1 1 1   -2    0   51 o  177.410   6.1575   85.856   8.3022   85.856   8.3022   85.856   8.3022  177.410   8.7081  177.410   8.7081 0.000000 0.000000 
1 1 1   -2    0   52 o  276.400   5.4237  207.338   11.436  207.338   11.436  207.338   11.436  276.400   7.6702  276.400   7.6702 0.000000 0.000000 
1 1 1   -2    0   53 o  149.196   6.7181   61.111   7.5884   61.111   7.5884   61.111   7.5884  149.196   9.5008  149.196   9.5008 0.000000 0.000000 
1 1 1   -2    0   54 o  346.109   5.6613  325.203   14.956  325.203   14.956  325.203   14.956  346.109   8.0062  346.109   8.0062 0.000000 0.000000 
1 1 1   -2    0   55 o  459.580   9.1656  577.477   32.133  577.477   32.133  577.477   32.133  459.580   12.962  459.580   12.962 0.000000 0.000000 
1 1 1   -2    0   58 o  329.994   5.7108  296.432   14.382  296.432   14.382  296.432   14.382  329.994   8.0763  329.994   8.0763 0.000000 0.000000 
1 1 1   -2    0   59 o  161.874   6.6144   72.092   8.1197   72.092   8.1197   72.092   8.1197  161.874   9.3541  161.874   9.3541 0.000000 0.000000 
1 1 1   -2    0   60 o  191.379   6.0334  100.337   8.7840  100.337   8.7840  100.337   8.7840  191.379   8.5325  191.379   8.5325 0.000000 0.000000 
1 1 1   -2    0   61 o   36.151   14.893   4.7088   6.8028   4.7088   6.8028   4.7088   6.8028   36.151   21.061   36.151   21.061 0.000000 0.000000 
1 1 1   -2    0   62 o  108.126   9.5153   33.734   7.5339   33.734   7.5339   33.734   7.5339  108.126   13.457  108.126   13.457 0.000000 0.000000 
1 1 1   -2    0   63 o  119.520   8.8133   40.691   7.8493   40.691   7.8493   40.691   7.8493  119.520   12.464  119.520   12.464 0.000000 0.000000 
1 1 1   -2    0   64 o   44.579   16.677   8.5577   7.6118   8.5577   7.6118   8.5577   7.6118   44.579   23.585   44.579   23.585 0.000000 0.000000 
1 1 1   -2    0   65 o  143.456   8.2148   57.968   8.8699   57.968   8.8699   57.968   8.8699  143.456   11.618  143.456   11.618 0.000000 0.000000 
1 1 1   -2    0   66 f  140.327   8.2168   55.804   8.6725   55.804   8.6725   55.804   8.6725  140.327   11.620  140.327   11.620 0.000000 0.000000 
1 1 1   -2    0   67 o   24.692   12.132  -6.0080   8.0679  -6.0080   8.0679  -6.0080   8.0679   24.692   17.157   24.692   17.157 0.000000 0.000000 
1 1 1   -2    0   68 o  133.594   9.3382   51.539   9.3197   51.539   9.3197   51.539   9.3197  133.594   13.206  133.594   13.206 0.000000 0.000000 
1 1 1   -2    0   69 o   38.298   16.204   6.0912   8.4445   6.0912   8.4445   6.0912   8.4445   38.298   22.916   38.298   22.916 0.000000 0.000000 
1 1 1   -2    0   70 o   32.990   15.016   2.4205   8.7072   2.4205   8.7072   2.4205   8.7072   32.990   21.236   32.990   21.236 0.000000 0.000000 
1 1 1   -2    1    1 o  674.277   8.2333  1228.52   29.996  1219.77   42.109  1237.54   42.740  671.840   11.599  676.714   11.688 -4.873596 16.46652 
1 1 1   -2    1    2 o  266.717   3.8838  192.204   5.5973  193.296   7.9496  191.131   7.8825  267.468   5.5003  265.966   5.4847 1.502533 7.767526 
1 1 1   -2    1    3 o  1025.06   12.252  2840.59   67.866  2847.97   96.248  2833.29   95.708  1026.38   17.354  1023.74   17.301 2.646423 24.50470 
1 1 1   -2    1    4 o  1198.86   14.269  3887.18   92.432  3910.34  131.546  3864.60  129.908  1202.38   20.246  1195.33   20.112 7.044067 28.53788 
1 1 1   -2    1    5 o  829.133   10.005  1857.01   44.790  1902.57   64.915  1815.60   61.879  838.823   14.322  819.443   13.974 19.38049 20.00975 
1 1 1   -2    1    6 o  817.623   9.8841  1807.90   43.669  1812.58   61.944  1803.27   61.572  818.675   14.002  816.571   13.954 2.103638 19.76824 
1 1 1   -2    1    7 o  608.913   7.5192  1001.91   24.735  1015.93   35.454  988.615   34.526  613.061   10.702  604.765   10.565 8.295715 15.03850 
1 1 1   -2    1    8 o  1111.41   13.268  3340.78   79.669  3303.11  111.336  3380.31  114.051  1105.00   18.646  1117.82   18.882 -12.81958 26.53670 
1 1 1   -2    1    9 o  645.895   7.9399  1127.63   27.711  1120.32   38.948  1135.14   39.434  643.774   11.196  648.016   11.261 -4.241821 15.87989 
1 1 1   -2    1   10 o  928.958   11.164  2334.25   56.039  2341.18   79.489  2327.40   79.017  930.328   15.812  927.588   15.764 2.739258 22.32776 
1 1 1   -2    1   11 o  236.936   5.2849  151.696   6.7664   0.0000   0.0000  151.696   6.7664  ?   ?   236.936   5.2849      ?      ? 
1 1 1   -2    1   12 o  633.469   7.8171  1084.71   26.758  1083.22   37.787  1086.22   37.896  633.031   11.047  633.906   11.063 -0.8754272 15.63413 
1 1 1   -2    1   13 f  1705.11   20.224  7867.29  186.115  8103.44  271.358  7657.53  255.747  1729.16   29.041  1681.07   28.154 48.09265 40.44804 
1 1 1   -2    1   14 o  973.367   11.687  2562.35   61.469  2549.55   86.519  2575.40   87.348  970.914   16.491  975.820   16.565 -4.905151 23.37420 
1 1 1   -2    1   15 o  653.685   8.0650  1155.09   28.487  1150.50   40.144  1159.75   40.432  652.377   11.388  654.993   11.424 -2.616394 16.12993 
1 1 1   -2    1   16 o  932.155   11.228  2350.47   56.555  2355.27   80.157  2345.71   79.807  933.101   15.897  931.209   15.860 1.892700 22.45591 
1 1 1   -2    1   17 o  912.272   11.006  2251.37   54.254  2254.50   76.821  2248.26   76.633  912.905   15.573  911.640   15.556 1.264954 22.01163 
1 1 1   -2    1   18 o  1055.41   12.656  3014.11   72.162  2976.65  100.755  3053.56  103.403  1048.69   17.780  1062.13   18.016 -13.43604 25.31231 
1 1 1   -2    1   19 o  187.209   3.6991   94.600   3.7399   98.382   5.3988   91.111   5.1855  190.802   5.2364  183.616   5.2263 7.185913 7.398222 
1 1 1   -2    1   20 o  328.556   4.7082  291.793   8.3589  291.929   11.841  291.659   11.801  328.632   6.6681  328.480   6.6487 0.1519775 9.416421 
1 1 1   -2    1   21 o  494.881   6.3760  662.100   17.047  671.167   24.412  653.472   23.815  498.184   9.0683  491.578   8.9654 6.606171 12.75191 
1 1 1   -2    1   22 o  501.264   6.4483  679.505   17.466  683.447   24.820  675.638   24.582  502.704   9.1371  499.825   9.1014 2.878235 12.89659 
1 1 1   -2    1   23 o  667.353   8.2653  1205.31   29.805  1209.02   42.287  1201.64   42.017  668.372   11.708  666.333   11.669 2.038696 16.53060 
1 1 1   -2    1   24 o  516.345   6.6253  720.585   18.474  737.627   26.693  704.916   25.595  522.194   9.4597  510.495   9.2786 11.69861 13.25057 
1 1 1   -2    1   25 o  531.574   6.7952  764.444   19.518  769.145   27.760  759.847   27.448  533.189   9.6349  529.960   9.5847 3.229004 13.59034 
1 1 1   -2    1   26 o  217.883   4.0998  128.338   4.8264  126.940   6.8483  129.717   6.8032  216.703   5.8483  219.062   5.7472 -2.358841 8.199556 
1 1 1   -2    1   27 o  219.542   8.1005  130.338   9.6099  130.338   9.6099   0.0000   0.0000  219.542   8.1005  ?   ?       ?      ? 
1 1 1   -2    1   29 f  821.135   20.115  1829.73   89.255  1829.73   89.255   0.0000   0.0000  821.135   20.115  ?   ?       ?      ? 
1 1 1   -2    1   30 o  770.184   9.4597  1605.59   39.369  1600.63   55.540  1610.59   55.814  768.991   13.366  771.378   13.390 -2.386597 18.91933 
1 1 1   -2    1   31 o  765.158   9.4071  1584.37   38.895  1578.40   54.812  1590.42   55.200  763.708   13.282  766.607   13.325 -2.898376 18.81425 
1 1 1   -2    1   32 o  808.604   9.8986  1769.05   43.245  1787.15   61.792  1751.67   60.542  812.651   14.072  804.557   13.926 8.093933 19.79727 
1 1 1   -2    1   33 o  521.191   6.7740  734.331   19.075  741.652   27.246  727.294   26.714  523.737   9.6274  518.646   9.5320 5.090759 13.54790 
1 1 1   -2    1   34 o  331.921   5.0659  297.796   9.0862  297.246   12.851  298.346   12.848  331.614   7.1718  332.227   7.1569 -0.6130676 10.13189 
1 1 1   -2    1   35 o  457.714   6.1869  566.421   15.302  567.039   21.657  565.805   21.625  457.964   8.7513  457.465   8.7480 0.4982910 12.37384 
1 1 1   -2    1   36 o  846.037   10.357  1937.62   47.347  1929.56   66.705  1945.81   67.216  844.266   14.621  847.808   14.672 -3.541138 20.71364 
1 1 1   -2    1   37 o  1295.32   15.533  4555.46  108.717  4526.54  152.768  4585.12  154.750  1291.18   21.896  1299.46   22.038 -8.286377 31.06620 
1 1 1   -2    1   38 o  504.364   6.7494  687.640   18.387  701.646   26.474  674.588   25.557  509.318   9.6193  499.410   9.4702 9.908478 13.49876 
1 1 1   -2    1   39 o  749.939   9.3284  1522.67   37.802  1520.72   53.372  1524.62   53.550  749.461   13.179  750.417   13.206 -0.9568481 18.65679 
1 1 1   -2    1   40 o  206.450   5.6564  115.271   6.3092  116.929   8.8906  113.588   8.9549  207.948   7.9120  204.952   8.0858 2.995712 11.31281 
1 1 1   -2    1   41 o  697.501   8.7937  1317.06   33.141  1305.23   46.465  1329.31   47.281  694.319   12.385  700.682   12.488 -6.363464 17.58745 
1 1 1   -2    1   42 o  406.995   6.0550  447.975   13.315  442.036   18.656  454.140   19.009  404.248   8.5407  409.743   8.5852 -5.494568 12.10990 
1 1 1   -2    1   43 o  754.214   9.4276  1541.25   38.411  1518.70   53.534  1565.18   55.143  748.547   13.235  759.880   13.429 -11.33325 18.85512 
1 1 1   -2    1   44 o  913.054   11.203  2264.16   55.269  2249.77   77.658  2278.93   78.675  910.131   15.791  915.978   15.895 -5.847473 22.40524 
1 1 1   -2    1   45 o  295.491   5.5859  236.123   8.9157  242.551   12.831  230.123   12.397  299.374   7.9317  291.608   7.8677 7.766846 11.17189 
1 1 1   -2    1   46 o  278.765   6.7907  211.538   9.6233  213.574   11.792  207.477   16.652  280.911   7.7683  276.620   11.140 4.291168 13.58134 
1 1 1   -2    1   47 o  488.938   9.5505  647.946   25.233   0.0000   0.0000  647.946   25.233  ?   ?   488.938   9.5505      ?      ? 
1 1 1   -2    1   48 o  351.714   8.0867  335.136   15.369   0.0000   0.0000  335.136   15.369  ?   ?   351.714   8.0867      ?      ? 
1 1 1   -2    1   49 o   73.493   13.880   14.154   5.5597   10.141   6.9672   21.189   9.2249   60.948   19.054   86.038   20.189 -25.08980 27.76061 
1 1 1   -2    1   50 o  289.222   5.4518  226.753   8.5191  223.757   11.918  229.884   12.182  287.273   7.6777  291.171   7.7423 -3.898132 10.90366 
1 1 1   -2    1   51 o  165.003   6.3355   73.966   5.6441   70.241   7.9596   77.732   8.0044  160.805   9.1602  169.202   8.7546 -8.396744 12.67097 
1 1 1   -2    1   52 o  366.487   5.7694  364.689   11.425  362.190   16.104  367.220   16.212  365.223   8.1601  367.751   8.1581 -2.527771 11.53872 
1 1 1   -2    1   53 o  271.018   5.4228  199.508   7.9410  199.820   11.299  199.202   11.163  271.220   7.7095  270.816   7.6281 0.4044800 10.84552 
1 1 1   -2    1   54 o  234.618   5.4545  149.595   6.9149  151.209   9.8239  148.011   9.7350  235.873   7.7076  233.363   7.7200 2.509842 10.90894 
1 1 1   -2    1   55 f  401.525   8.5422  442.863   18.527  441.441   25.832  444.369   26.587  400.947   11.923  402.103   12.236 -1.155212 17.08448 
1 1 1   -2    1   57 f   64.898   23.602   10.800   10.713   10.800   10.713   0.0000   0.0000   64.898   23.602  ?   ?       ?      ? 
1 1 1   -2    1   58 o  100.262   12.007   27.137   6.1391   35.338   10.690   23.101   7.4990  111.293   17.775   89.230   16.147 22.06308 24.01433 
1 1 1   -2    1   59 o  212.278   5.8143  123.292   6.6680  126.729   9.5357  120.004   9.3278  215.179   8.2009  209.377   8.2445 5.801849 11.62870 
1 1 1   -2    1   60 o  201.210   6.0101  110.779   6.5206  101.310   8.9655  121.413   9.5008  192.058   8.6388  210.361   8.3581 -18.30258 12.02026 
1 1 1   -2    1   61 o   61.077   13.274   10.873   4.9959   6.8563   7.0760   14.865   7.0545   52.053   19.144   70.101   18.393 -18.04863 26.54763 
1 1 1   -2    1   62 o  224.124   5.9257  138.090   7.1675  142.159   10.455  134.482   9.8455  227.166   8.5169  221.083   8.2413 6.083328 11.85139 
1 1 1   -2    1   63 o   77.332   12.428   18.354   5.2840   12.176   7.5981   24.140   7.3534   63.111   19.923   91.553   14.864 -28.44184 24.85659 
1 1 1   -2    1   64 o  322.998   5.9158  287.559   10.317  273.630   14.287  302.739   14.915  314.810   8.3983  331.186   8.3340 -16.37579 11.83156 
1 1 1   -2    1   65 o  142.403   8.0514   57.297   6.1890   54.107   8.7113   60.549   8.7946  138.249   11.661  146.558   11.105 -8.309525 16.10273 
1 1 1   -2    1   66 o   72.247   13.919   17.052   5.6587   20.562   8.0824   13.677   7.9252   79.832   19.009   64.661   20.339 15.17097 27.83873 
1 1 1   -2    1   67 o  154.308   7.9765   67.541   6.6414   71.426   9.7129   64.129   9.1016  158.419   11.346  150.197   11.214 8.222397 15.95293 
1 1 1   -2    1   68 o  174.388   7.6682   86.653   7.2177   91.349   10.512   82.463   9.9280  178.818   10.879  169.957   10.810 8.861725 15.33644 
1 1 1   -2    1   69 o   98.533   12.029   31.114   6.2514   30.774   9.1125   31.416   8.5921   96.664   18.111  100.402   15.837 -3.738525 24.05871 
1 1 1   -2    1   70 o  186.806   7.1508  101.045   7.2028   93.161   10.116  109.152   10.258  178.978   10.459  194.633   9.7537 -15.65491 14.30160 
1 1 1   -2    2    2 o  286.379   4.1146  221.566   6.3668  218.886   8.9277  224.340   9.0822  284.617   5.8049  288.141   5.8330 -3.523499 8.229272 
1 1 1   -2    2    3 o  828.176   10.032  1854.17   44.892  1841.22   63.022  1867.50   63.961  825.245   14.132  831.108   14.242 -5.862793 20.06396 
1 1 1   -2    2    4 o  1117.47   13.335  3378.22   80.509  3413.29  115.075  3344.59  112.677  1123.14   18.961  1111.80   18.755 11.34192 26.66955 
1 1 1   -2    2    5 o  1587.69   18.865  6829.63  161.749  6967.08  233.642  6703.11  224.149  1602.96   26.974  1572.42   26.380 30.53857 37.72917 
1 1 1   -2    2    6 o  1947.97   23.081 10296.18  242.921 10396.38  347.177 10200.06  340.019  1957.20   32.827  1938.73   32.456 18.47034 46.16269 
1 1 1   -2    2    7 o  308.079   4.3433  256.156   7.2252  248.404   9.9863  264.672   10.467  303.194   6.0953  312.964   6.1891 -9.769806 8.686606 
1 1 1   -2    2    8 o  928.892   11.164  2332.87   56.025  2360.35   80.164  2306.62   78.331  934.234   15.880  923.550   15.696 10.68433 22.32760 
1 1 1   -2    2    9 o  520.114   6.5614  730.723   18.433  716.467   25.615  746.035   26.546  514.858   9.2071  525.371   9.3508 -10.51324 13.12276 
1 1 1   -2    2   10 o  1136.13   13.569  3493.64   83.304  3489.19  117.671  3498.11  117.948  1135.41   19.179  1136.85   19.200 -1.447998 27.13802 
1 1 1   -2    2   11 o  1723.91   20.443  8057.11  190.404  7981.36  266.560  8136.02  272.069  1715.67   28.752  1732.15   29.067 -16.47571 40.88526 
1 1 1   -2    2   12 o  1062.07   12.710  3051.17   72.941  3032.69  102.530  3070.11  103.791  1058.82   17.920  1065.32   18.030 -6.504761 25.42056 
1 1 1   -2    2   13 o  391.138   5.2297  413.215   11.049  421.427   15.884  405.514   15.381  394.901   7.4436  387.375   7.3478 7.526093 10.45932 
1 1 1   -2    2   14 o  890.766   10.744  2145.65   51.716  2136.57   72.845  2154.88   73.435  888.868   15.166  892.664   15.224 -3.795654 21.48897 
1 1 1   -2    2   15 o  1183.32   14.124  3789.81   90.314  3786.86  127.637  3792.77  127.809  1182.86   19.969  1183.78   19.980 -0.9201660 28.24845 
1 1 1   -2    2   16 o  830.068   10.059  1863.46   45.121  1864.82   63.837  1862.11   63.783  830.370   14.227  829.766   14.225 0.6038208 20.11890 
1 1 1   -2    2   17 o  432.362   5.6902  505.169   13.293  500.516   18.637  509.988   18.965  430.336   8.0145  434.388   8.0796 -4.051636 11.38035 
1 1 1   -2    2   18 o  695.923   8.5552  1309.15   32.162  1289.80   44.816  1329.69   46.183  690.628   12.009  701.218   12.188 -10.58954 17.11043 
1 1 1   -2    2   19 o  420.578   5.5882  478.018   12.697  471.000   17.730  485.407   18.192  417.411   7.8606  423.745   7.9450 -6.333496 11.17642 
1 1 1   -2    2   20 f  504.768   6.4776  688.941   17.667  683.565   24.791  694.488   25.183  502.769   9.1251  506.767   9.1961 -3.997711 12.95519 
1 1 1   -2    2   21 o  222.610   3.9314  133.809   4.7265  137.700   6.8251  130.224   6.5518  225.716   5.5957  219.504   5.5237 6.212234 7.862768 
1 1 1   -2    2   22 o  790.992   9.6574  1694.01   41.275  1681.28   57.929  1707.14   58.823  787.979   13.605  794.004   13.710 -6.024170 19.31474 
1 1 1   -2    2   23 o  264.472   4.2477  189.061   6.0702  186.933   8.5606  191.213   8.6089  262.975   6.0242  265.969   5.9900 -2.994202 8.495374 
1 1 1   -2    2   24 o  467.039   6.1157  589.917   15.434  587.172   21.744  592.705   21.911  465.945   8.6360  468.134   8.6618 -2.189026 12.23135 
1 1 1   -2    2   25 o  126.356   4.2827   43.189   2.9115   38.068   4.0670   48.571   4.1698  118.665   6.3425  134.046   5.7566 -15.38117 8.565421 
1 1 1   -2    2   26 o  478.419   8.8145  619.236   22.773  606.081   31.544  633.558   32.913  473.127   12.338  483.712   12.592 -10.58487 17.62903 
1 1 1   -2    2   27 o  753.908   18.510  1542.57   75.408  1542.57   75.408   0.0000   0.0000  753.908   18.510  ?   ?       ?      ? 
1 1 1   -2    2   28 o  654.832   16.454  1162.39   58.221  1162.39   58.221   0.0000   0.0000  654.832   16.454  ?   ?       ?      ? 
1 1 1   -2    2   29 o  1072.79   18.341  3131.75  106.323  3126.13  150.226  3137.39  150.502  1071.83   25.938  1073.76   25.939 -1.928467 36.68210 
1 1 1   -2    2   30 o  1006.54   14.906  2755.26   76.626  2731.98  131.723  2767.17   94.206  1002.58   24.314  1010.50   17.253 -7.923828 29.81294 
1 1 1   -2    2   31 o  865.827   10.540  2029.12   49.305  2008.31   69.037  2050.77   70.438  861.307   14.833  870.347   14.977 -9.040405 21.07941 
1 1 1   -2    2   32 o  739.621   9.1306  1479.81   36.489  1467.77   51.238  1492.21   51.978  736.570   12.873  742.673   12.952 -6.102966 18.26123 
1 1 1   -2    2   33 o  445.393   6.0348  536.063   14.520  545.090   20.844  527.552   20.238  449.032   8.5904  441.753   8.4783 7.279205 12.06968 
1 1 1   -2    2   34 o  342.845   5.1864  317.680   9.6077  312.937   13.494  322.557   13.682  340.250   7.3395  345.440   7.3299 -5.190430 10.37279 
1 1 1   -2    2   35 o  327.630   5.1406  290.123   9.1005  286.842   12.793  293.485   12.949  325.755   7.2674  329.506   7.2726 -3.750519 10.28130 
1 1 1   -2    2   36 o  254.089   4.9297  174.264   6.7637  166.731   9.3676  182.469   9.7760  248.360   6.9801  259.818   6.9631 -11.45738 9.859324 
1 1 1   -2    2   37 o  319.359   5.1916  275.666   8.9580  278.620   12.795  272.827   12.546  321.035   7.3757  317.682   7.3082 3.353363 10.38320 
1 1 1   -2    2   38 o  209.321   5.2805  118.419   5.9652  110.445   8.3435  126.758   8.5319  202.111   7.6395  216.530   7.2919 -14.41866 10.56097 
1 1 1   -2    2   39 o  431.896   6.1378  504.100   14.319  516.332   20.605  492.676   19.913  436.958   8.7267  426.835   8.6334 10.12320 12.27561 
1 1 1   -2    2   40 f  453.577   6.3543  556.453   15.574  554.847   22.038  558.055   22.013  452.922   9.0044  454.232   8.9683 -1.309479 12.70862 
1 1 1   -2    2   41 o  244.382   5.6128  161.542   7.4101  158.463   10.529  164.563   10.430  242.071   8.0494  246.692   7.8245 -4.621231 11.22565 
1 1 1   -2    2   42 o  539.390   7.1861  787.330   20.943  793.482   29.853  781.368   29.389  541.461   10.203  537.319   10.122 4.141846 14.37212 
1 1 1   -2    2   43 o  615.116   7.9434  1024.43   26.399  1034.59   37.735  1014.69   36.945  618.095   11.298  612.137   11.169 5.958496 15.88682 
1 1 1   -2    2   44 o  511.131   6.9604  706.684   19.212  725.705   27.786  689.262   26.593  517.705   9.9325  504.558   9.7537 13.14703 13.92083 
1 1 1   -2    2   45 o  702.200   10.869  1344.26   39.066  1352.28   48.169  1328.83   66.778  705.980   12.627  698.420   17.694 7.559692 21.73733 
1 1 1   -2    2   46 o  641.533   8.2454  1115.85   28.573  1135.19   41.089  1097.75   39.761  646.891   11.755  636.175   11.566 10.71637 16.49086 
1 1 1   -2    2   47 o  360.029   7.2010  351.965   13.087  350.225   23.039  352.794   15.901  359.134   11.872  360.925   8.1528 -1.791656 14.40192 
1 1 1   -2    2   48 o  345.249   6.9141  325.850   12.240  315.315   20.736  331.485   15.164  340.705   11.263  349.793   8.0228 -9.088043 13.82825 
1 1 1   -2    2   49 o  388.666   5.9937  409.486   12.587  402.681   17.643  416.538   17.961  385.379   8.4724  391.953   8.4804 -6.573456 11.98741 
1 1 1   -2    2   50 o  356.067   6.9883  344.935   12.779  345.710   15.799  343.468   21.735  356.976   8.1901  355.157   11.326 1.819092 13.97659 
1 1 1   -2    2   51 o  398.509   6.0294  431.096   12.983  430.631   18.441  431.553   18.282  398.287   8.5685  398.732   8.4851 -0.4446716 12.05885 
1 1 1   -2    2   52 o  435.627   6.2956  515.334   14.809  528.699   21.441  503.143   20.478  440.994   8.9977  430.259   8.8080 10.73492 12.59125 
1 1 1   -2    2   53 o  133.904   7.3109   48.882   5.2841   49.691   7.6811   48.155   7.2806  134.930   10.535  132.877   10.140 2.052551 14.62181 
1 1 1   -2    2   54 o  220.188   6.7265  131.977   7.5844  132.838   13.009  131.534   9.3351  220.415   10.922  219.961   7.8539 0.4536896 13.45295 
1 1 1   -2    2   55 o   97.888   13.136   27.543   6.7583   25.788   10.018   29.009   9.1556   93.797   20.350  101.979   16.614 -8.182144 26.27132 
1 1 1   -2    2   56 f  182.039   12.978   91.599   12.766   91.599   12.766   0.0000   0.0000  182.039   12.978  ?   ?       ?      ? 
1 1 1   -2    2   57 o  160.471   9.8113   71.378   8.4739   80.698   12.323   63.018   11.671  170.540   13.372  150.402   14.361 20.13774 19.62263 
1 1 1   -2    2   58 o  114.174   12.760   38.646   7.4546   30.225   10.931   45.968   10.193  100.381   20.834  127.967   14.740 -27.58680 25.52096 
1 1 1   -2    2   59 o  143.415   7.2673   56.900   5.6129   52.872   8.0589   60.696   7.8221  138.323   10.782  148.508   9.7473 -10.18437 14.53469 
1 1 1   -2    2   60 o   37.241   11.713  -2.4383   4.8690  -6.0574   7.0293   0.8997   6.7508   33.442   15.639   41.041   17.441 -7.598301 23.42569 
1 1 1   -2    2   61 o  140.966   7.3064   54.821   5.5484   58.348   8.2520   51.911   7.4956  145.016   10.531  136.917   10.131 8.099152 14.61289 
1 1 1   -2    2   62 o  139.067   7.7068   53.993   5.7771   53.188   8.4322   54.704   7.9310  137.921   11.314  140.214   10.468 -2.292465 15.41366 
1 1 1   -2    2   63 o  111.964   9.0858   35.475   5.4916   37.581   7.9574   33.560   7.5883  115.156   12.788  108.773   12.910 6.382919 18.17159 
1 1 1   -2    2   64 o  175.490   6.6830   85.558   6.3357   85.329   9.0560   85.778   8.8671  175.202   9.5656  175.779   9.3352 -0.5775452 13.36591 
1 1 1   -2    2   65 o  148.785   7.7319   62.313   6.2154   63.315   8.8826   61.352   8.7000  149.941   10.963  147.628   10.906 2.312057 15.46373 
1 1 1   -2    2   66 o   79.576   13.362   20.620   5.7374   15.923   8.1681   25.195   8.0609   69.347   20.421   89.804   17.238 -20.45692 26.72382 
1 1 1   -2    2   67 o   44.813   19.010   2.4992   7.9959   0.0000   0.0000   2.4992   7.9959  ?   ?    44.813   19.010      ?      ? 
1 1 1   -2    2   68 o  120.470   9.7664   43.017   6.3502   43.149   9.2042   42.896   8.7724  120.383   14.149  120.557   13.466 -0.1735611 19.53288 
1 1 1   -2    2   69 o  183.506   7.2095   97.036   7.1096   87.899   10.201  105.668   9.9143  174.386   10.825  192.626   9.5249 -18.23982 14.41902 
1 1 1   -2    2   70 o  189.540   7.2433  104.326   7.4182  103.408   10.513  105.236   10.469  188.618   10.315  190.462   10.172 -1.844666 14.48655 
1 1 1   -2    3    1 f  785.403   9.5358  1667.14   40.452  1639.32   56.209  1697.04   58.263  778.616   13.360  792.191   13.610 -13.57489 19.07162 
1 1 1   -2    3    2 o  924.486   11.146  2311.52   55.673  2336.14   79.567  2287.90   77.926  929.302   15.845  919.670   15.681 9.632019 22.29208 
1 1 1   -2    3    3 o  1541.22   18.299  6438.77  152.397  6434.92  215.411  6442.63  215.632  1540.76   25.873  1541.68   25.884 -0.9205322 36.59775 
1 1 1   -2    3    4 o  568.280   7.0904  872.916   21.773  872.585   30.792  873.248   30.792  568.172   10.029  568.388   10.025 -0.2158203 14.18084 
1 1 1   -2    3    6 o  765.755   9.3065  1582.77   38.461  1537.77   52.828  1633.52   56.105  754.198   12.962  777.310   13.357 -23.11182 18.61300 
1 1 1   -2    3    7 o  584.259   7.2722  922.658   22.959  924.516   32.548  920.818   32.391  584.844   10.299  583.674   10.270 1.170105 14.54443 
1 1 1   -2    3    8 f  355.803   4.8615  342.112   9.3468  342.110   13.220  342.114   13.217  355.802   6.8759  355.804   6.8743 -0.1892090E-02 9.722924 
1 1 1   -2    3    9 f  582.340   7.2530  916.676   22.823  912.383   32.143  921.041   32.412  580.966   10.239  583.715   10.276 -2.748901 14.50598 
1 1 1   -2    3   10 o  1534.47   18.221  6379.56  151.070  6438.03  215.706  6323.27  211.641  1541.35   25.898  1527.60   25.639 13.75391 36.44298 
1 1 1   -2    3   11 o  946.487   11.378  2422.80   58.195  2417.79   82.149  2427.83   82.451  945.507   16.079  947.467   16.104 -1.959656 22.75692 
1 1 1   -2    3   12 o  1458.71   17.330  5761.35  136.596  5728.43  192.092  5795.02  194.279  1454.51   24.440  1462.92   24.576 -8.411743 34.66011 
1 1 1   -2    3   13 o  576.617   7.2106  898.489   22.464  888.516   31.437  908.894   32.111  573.350   10.147  579.885   10.248 -6.535339 14.42119 
1 1 1   -2    3   14 o  1154.97   13.794  3609.11   86.077  3573.93  120.483  3645.79  123.019  1149.23   19.401  1160.71   19.614 -11.47656 27.58807 
1 1 1   -2    3   15 o  627.007   7.7798  1062.26   26.348  1081.13   37.915  1044.63   36.643  632.388   11.095  621.626   10.909 10.76178 15.55956 
1 1 1   -2    3   16 o  112.749   3.7754   34.368   2.2990   33.632   3.2813   35.078   3.2220  111.562   5.4431  113.936   5.2333 -2.373764 7.550851 
1 1 1   -2    3   17 f  345.739   4.8512  322.650   9.0559  332.590   13.135  313.645   12.502  350.807   6.9292  340.671   6.7915 10.13596 9.702466 
1 1 1   -2    3   18 o  101.574   4.0615   27.855   2.2281   28.856   3.2107   26.926   3.0946  103.332   5.7502   99.817   5.7373 3.515007 8.122902 
1 1 1   -2    3   19 o  310.127   4.5564  259.953   7.6355  257.699   10.758  262.241   10.839  308.772   6.4477  311.482   6.4397 -2.709747 9.112801 
1 1 1   -2    3   20 o  615.360   7.6820  1023.79   25.533  1005.08   35.477  1043.91   36.776  609.535   10.771  621.184   10.956 -11.64880 15.36397 
1 1 1   -2    3   21 o  892.937   10.815  2159.83   52.180  2144.35   73.263  2175.76   74.335  889.700   15.239  896.175   15.350 -6.474792 21.62985 
1 1 1   -2    3   22 o  899.148   10.896  2190.58   52.939  2198.95   75.164  2182.34   74.574  900.847   15.441  897.448   15.378 3.399292 21.79210 
1 1 1   -2    3   23 o  509.292   6.5627  701.325   18.056  711.957   25.896  691.265   25.190  513.044   9.3409  505.541   9.2210 7.502991 13.12547 
1 1 1   -2    3   24 o  632.299   7.8970  1081.85   26.978  1069.54   37.749  1094.70   38.568  628.628   11.113  635.969   11.223 -7.340820 15.79391 
1 1 1   -2    3   25 o  305.829   5.5997  253.012   8.7982  252.703   14.973  253.176   10.873  305.642   9.0658  306.016   6.5756 -0.3736877 11.19942 
1 1 1   -2    3   26 o   42.942   9.4018   2.7999   2.9514  -2.5023   3.9130   9.7973   4.4952   26.921   12.252   58.963   14.264 -32.04218 18.80352 
1 1 1   -2    3   27 o  704.832   17.390  1347.52   66.231  1347.52   66.231   0.0000   0.0000  704.832   17.390  ?   ?       ?      ? 
1 1 1   -2    3   28 o  747.043   13.069  1513.42   52.749  1494.37   73.786  1533.33   75.438  742.250   18.396  751.837   18.569 -9.586731 26.13851 
1 1 1   -2    3   29 o  668.368   11.829  1210.47   42.723  1207.66   60.419  1213.29   60.419  667.589   16.749  669.148   16.710 -1.558960 23.65854 
1 1 1   -2    3   30 o  392.859   6.8232  419.010   13.597  412.613   23.659  422.166   16.615  390.548   11.211  395.169   7.7809 -4.621643 13.64636 
1 1 1   -2    3   31 f  741.106   9.1430  1485.92   36.612  1472.73   51.366  1499.53   52.198  737.768   12.885  744.445   12.976 -6.676147 18.28609 
1 1 1   -2    3   32 o  1018.97   12.300  2811.76   67.722  2829.04   96.396  2794.92   95.163  1022.06   17.454  1015.89   17.335 6.165222 24.59994 
1 1 1   -2    3   33 o  795.585   9.7658  1712.20   41.973  1687.60   58.546  1738.21   60.206  789.716   13.719  801.455   13.902 -11.73969 19.53164 
1 1 1   -2    3   34 o  797.532   9.7954  1721.39   42.214  1717.02   59.598  1725.79   59.802  796.517   13.847  798.548   13.859 -2.030396 19.59082 
1 1 1   -2    3   35 o  394.634   5.6629  421.012   12.076  419.806   17.083  422.217   17.073  394.068   8.0225  395.199   7.9946 -1.130920 11.32585 
1 1 1   -2    3   36 f  243.192   4.8917  159.740   6.4249  163.568   9.2718  156.204   8.9114  245.992   6.9752  240.392   6.8602 5.599579 9.783424 
1 1 1   -2    3   37 o  604.170   7.7392  987.516   25.266  985.620   35.714  989.415   35.750  603.589   10.950  604.751   10.940 -1.161438 15.47837 
1 1 1   -2    3   38 o  612.376   7.8448  1014.57   25.956  1004.55   36.390  1024.94   37.034  609.303   11.052  615.449   11.136 -6.145325 15.68963 
1 1 1   -2    3   39 o  528.172   7.0263  754.527   20.052  747.687   28.164  761.559   28.556  525.746   9.9136  530.598   9.9598 -4.851929 14.05266 
1 1 1   -2    3   40 o  281.084   5.4652  213.616   8.2986  206.598   11.668  220.799   11.805  276.410   7.8119  285.758   7.6451 -9.346985 10.93043 
1 1 1   -2    3   41 o  210.191   6.0263  119.229   6.8353  128.211   9.9084  111.073   9.4417  217.731   8.4216  202.652   8.6220 15.07880 12.05251 
1 1 1   -2    3   42 o  498.922   6.8170  673.604   18.378  675.775   26.138  671.482   25.844  499.713   9.6797  498.130   9.6014 1.583527 13.63392 
1 1 1   -2    3   43 o  585.008   7.6471  926.611   24.174  923.039   34.088  930.225   34.286  583.875   10.804  586.141   10.825 -2.266052 15.29423 
1 1 1   -2    3   44 o  230.503   7.0589  143.359   8.3501  142.219   10.286  145.563   14.299  229.246   8.3036  231.760   11.418 -2.514740 14.11786 
1 1 1   -2    3   45 o  554.276   8.9967  838.618   25.635  850.117   31.817  817.342   43.278  560.104   10.512  548.449   14.603 11.65515 17.99335 
1 1 1   -2    3   46 f  538.030   8.9433  777.471   24.038  807.883   43.594  764.185   28.815  545.035   14.802  531.025   10.042 14.00952 17.88670 
1 1 1   -2    3   47 o  352.005   5.7484  335.381   10.924  340.412   15.840  330.819   15.085  354.506   8.2691  349.505   7.9873 5.001007 11.49670 
1 1 1   -2    3   48 o  247.767   5.6444  166.624   7.5431  158.237   10.803  174.603   10.537  241.646   8.2736  253.887   7.6802 -12.24094 11.28883 
1 1 1   -2    3   49 o  459.606   7.8859  573.736   18.513  576.126   31.909  572.523   22.730  459.858   12.841  459.354   9.1572 0.5043030 15.77182 
1 1 1   -2    3   50 o  374.831   7.1251  382.306   13.714  382.952   16.950  381.081   23.337  375.661   8.3498  374.001   11.548 1.660431 14.25012 
1 1 1   -2    3   51 o  316.694   6.7475  273.422   11.017  275.388   13.698  269.820   18.541  318.598   7.9565  314.790   10.900 3.808197 13.49498 
1 1 1   -2    3   52 o  288.154   5.4725  225.363   8.5162  226.637   12.270  224.178   11.830  288.919   7.8593  287.389   7.6175 1.529419 10.94504 
1 1 1   -2    3   53 o  159.904   6.4162   69.920   5.5173   65.475   8.0380   73.879   7.5867  155.006   9.5965  164.802   8.5192 -9.796692 12.83240 
1 1 1   -2    3   54 o  483.155   9.4817  642.198   24.753  651.576   35.282  633.108   34.735  486.623   13.418  479.688   13.401 6.935181 18.96335 
1 1 1   -2    3   55 o   69.123   15.372   13.216   6.5816   18.194   9.5428   8.7004   9.0894   78.557   21.742   59.689   21.735 18.86820 30.74326 
1 1 1   -2    3   56 o  179.698   9.0834   88.244   8.8202   88.244   8.8202   0.0000   0.0000  179.698   9.0834  ?   ?       ?      ? 
1 1 1   -2    3   57 o  436.981   9.1869  528.880   21.665  538.288   31.561  520.495   29.793  440.420   13.262  433.541   12.717 6.879517 18.37376 
1 1 1   -2    3   58 o   79.248   16.532   19.125   7.5563   19.387   11.027   18.892   10.375   79.701   23.791   78.795   22.962 0.9059982 33.06450 
1 1 1   -2    3   59 o  329.934   5.7164  297.996   10.187  296.995   14.618  298.940   14.202  329.327   8.2146  330.542   7.9515 -1.215546 11.43270 
1 1 1   -2    3   60 o  173.402   6.4702   82.462   6.0518   88.727   8.8651   76.995   8.2817  179.553   9.1370  167.252   9.1635 12.30066 12.94041 
1 1 1   -2    3   61 o  206.761   6.0241  117.845   6.7105  108.159   9.5286  127.376   9.4521  198.146   8.8993  215.376   8.1216 -17.22969 12.04816 
1 1 1   -2    3   62 o  153.165   7.1603   64.723   5.8986   74.122   8.7239   56.807   8.0060  163.439   9.8779  142.890   10.369 20.54912 14.32069 
1 1 1   -2    3   63 o  233.070   5.8771  149.536   7.3771  152.957   10.938  146.681   9.9917  235.344   8.6008  230.796   8.0117 4.548447 11.75418 
1 1 1   -2    3   64 o   84.678   12.200   21.681   5.4936   29.356   7.9732   14.744   7.5799  100.777   14.641   68.578   19.519 32.19880 24.40017 
1 1 1   -2    3   65 o  148.136   10.868   61.782   8.6996   61.782   8.6996   0.0000   0.0000  148.136   10.868  ?   ?       ?      ? 
1 1 1   -2    3   66 o  108.071   11.152   36.553   5.9245   22.701   8.4129   50.181   8.3447   83.850   19.006  132.292   11.673 -48.44231 22.30473 
1 1 1   -2    3   67 o  161.711   10.965   74.125   9.5816   0.0000   0.0000   74.125   9.5816  ?   ?   161.711   10.965      ?      ? 
1 1 1   -2    3   68 o  124.664   9.4479   46.522   6.2801   43.530   9.4495   48.889   8.4049  119.967   14.577  129.362   12.024 -9.395691 18.89574 
1 1 1   -2    3   69 o  178.898   7.2935   92.051   7.0207   88.356   10.267   95.296   9.6216  174.952   10.860  182.844   9.7382 -7.891785 14.58708 
1 1 1   -2    3   70 o  141.749   8.9459   61.283   6.7405   51.650   9.7567   70.078   9.3230  129.354   13.958  154.144   11.193 -24.79024 17.89176 
1 1 1   -2    4    1 o  676.282   8.3184  1236.19   30.396  1225.84   42.647  1246.88   43.334  673.406   11.720  679.158   11.808 -5.751648 16.63674 
1 1 1   -2    4    2 o  426.416   5.6010  491.322   12.905  486.443   18.108  496.357   18.395  424.266   7.8986  428.567   7.9433 -4.301086 11.20194 
1 1 1   -2    4    3 o  1148.25   13.729  3567.03   85.185  3581.17  120.881  3553.09  120.063  1150.51   19.444  1145.99   19.388 4.515137 27.45848 
1 1 1   -2    4    4 o  389.779   5.2170  410.332   10.984  402.456   15.281  418.754   15.800  385.912   7.3276  393.647   7.4280 -7.735168 10.43406 
1 1 1   -2    4    5 o  1433.37   17.043  5563.03  131.998  5527.78  185.372  5599.28  188.001  1428.78   24.010  1437.96   24.195 -9.186401 34.08634 
1 1 1   -2    4    6 o  994.785   11.952  2676.69   64.243  2653.25   90.072  2700.96   91.655  990.358   16.831  999.212   16.975 -8.853821 23.90462 
1 1 1   -2    4    7 o  1098.91   13.153  3266.70   78.080  3219.18  108.732  3317.29  112.192  1090.68   18.449  1107.14   18.753 -16.46582 26.30674 
1 1 1   -2    4    8 o  445.883   5.8043  537.314   13.985  538.939   19.852  535.714   19.703  446.551   8.2271  445.214   8.1899 1.337555 11.60864 
1 1 1   -2    4    9 o  761.733   9.2811  1568.84   38.202  1569.93   54.085  1567.76   53.968  761.996   13.135  761.470   13.116 0.5253906 18.56221 
1 1 1   -2    4   10 f  763.768   9.3119  1576.67   38.423  1556.83   53.652  1597.56   55.050  758.841   13.084  768.696   13.253 -9.854675 18.62374 
1 1 1   -2    4   11 o  740.653   9.0451  1482.98   36.200  1488.95   51.413  1477.10   50.979  742.132   12.820  739.175   12.763 2.957092 18.09029 
1 1 1   -2    4   12 o  1585.26   18.820  6807.68  161.211  6780.71  227.070  6835.09  228.914  1582.10   26.561  1588.41   26.670 -6.314453 37.63975 
1 1 1   -2    4   13 o  979.307   11.773  2593.01   62.278  2554.85   86.739  2633.60   89.472  971.883   16.516  986.731   16.780 -14.84790 23.54500 
1 1 1   -2    4   14 o  984.163   11.830  2620.24   62.911  2631.49   89.376  2609.20   88.569  986.252   16.770  982.073   16.690 4.179321 23.65997 
1 1 1   -2    4   15 o  254.872   4.0891  175.432   5.6298  171.338   7.8384  179.794   8.0911  251.803   5.7607  257.942   5.8049 -6.138611 8.178237 
1 1 1   -2    4   16 o   84.254   4.5793   19.156   2.0782   21.375   3.0011   17.110   2.8806   88.937   6.2447   79.570   6.6996 9.366882 9.158641 
1 1 1   -2    4   17 o  963.697   11.613  2513.53   60.474  2511.39   85.454  2515.68   85.591  963.285   16.417  964.108   16.429 -0.8229370 23.22569 
1 1 1   -2    4   18 o  308.977   4.5666  258.017   7.6242  255.499   10.734  260.580   10.831  307.456   6.4611  310.498   6.4552 -3.041870 9.133214 
1 1 1   -2    4   19 o  372.229   5.1536  374.543   10.366  371.812   14.592  377.325   14.727  370.860   7.2816  373.599   7.2951 -2.738800 10.30726 
1 1 1   -2    4   20 o  320.801   4.6938  277.889   8.1312  286.335   11.764  270.164   11.251  325.462   6.6892  316.140   6.5863 9.321869 9.387526 
1 1 1   -2    4   21 o  913.565   11.061  2261.47   54.601  2261.27   77.253  2261.68   77.182  913.522   15.650  913.607   15.634 -0.8551025E-01 22.12103 
1 1 1   -2    4   22 o  1094.00   13.157  3247.54   77.777  3261.57  110.517  3233.78  109.478  1096.33   18.655  1091.67   18.559 4.656738 26.31422 
1 1 1   -2    4   23 o  205.271   4.0270  113.932   4.4648  112.369   6.3834  115.429   6.2471  203.890   5.7938  206.651   5.5944 -2.761108 8.053930 
1 1 1   -2    4   24 o  119.334   5.1601   39.252   3.2274   35.113   5.0791   42.055   4.1797  113.943   8.2491  124.726   6.2016 -10.78290 10.32028 
1 1 1   -2    4   25 o  278.624   6.1102  209.307   9.1822  199.505   12.525  220.698   13.501  271.596   8.5341  285.651   8.7468 -14.05463 12.22035 
1 1 1   -2    4   26 o  162.237   5.4695   71.162   4.7935   70.833   6.6921   71.509   6.8696  161.854   7.6516  162.621   7.8175 -0.7673645 10.93891 
1 1 1   -2    4   27 o  506.576   8.0891  694.824   20.865  695.502   25.549  693.468   36.154  507.087   9.3239  506.065   13.221 1.021545 16.17813 
1 1 1   -2    4   28 o  692.666   12.242  1300.51   45.822  1291.89   64.616  1309.23   64.991  690.356   17.321  694.977   17.306 -4.620239 24.48498 
1 1 1   -2    4   29 f  1060.58   18.166  3059.52  104.104  3074.32  148.071  3045.04  146.394  1063.09   25.776  1058.06   25.605 5.026978 36.33194 
1 1 1   -2    4   30 o  293.355   4.7122  232.557   7.4686  226.906   10.483  238.383   10.643  289.736   6.6957  296.974   6.6323 -7.238190 9.424379 
1 1 1   -2    4   31 o  492.802   6.4852  656.513   17.268  649.200   24.239  664.051   24.608  490.016   9.1540  495.587   9.1890 -5.571777 12.97048 
1 1 1   -2    4   32 o  382.822   5.4869  396.150   11.350  395.711   16.138  396.579   15.966  382.611   7.8054  383.033   7.7137 -0.4217834 10.97390 
1 1 1   -2    4   33 o  425.446   5.8755  489.283   13.506  492.297   19.269  486.372   18.936  426.733   8.3565  424.160   8.2618 2.572662 11.75110 
1 1 1   -2    4   34 o  268.272   4.8324  194.508   7.0035  188.596   9.8482  200.557   9.9617  264.148   6.8996  272.397   6.7677 -8.249542 9.664706 
1 1 1   -2    4   35 o  658.357   8.2849  1171.76   29.460  1149.83   40.900  1195.40   42.468  651.967   11.610  664.747   11.823 -12.77911 16.56986 
1 1 1   -2    4   36 o  283.350   5.0552  217.002   7.7396  213.613   10.877  220.478   11.015  281.109   7.1605  285.591   7.1379 -4.481934 10.11047 
1 1 1   -2    4   37 o  369.137   5.5790  368.305   11.126  361.710   15.565  375.196   15.911  365.760   7.8753  372.515   7.9044 -6.754913 11.15793 
1 1 1   -2    4   38 o  486.560   6.6208  639.477   17.393  620.536   24.011  660.392   25.230  478.993   9.2766  494.126   9.4492 -15.13327 13.24167 
1 1 1   -2    4   39 o  125.403   7.6759   42.719   5.1783   38.544   7.3862   46.755   7.2617  119.343   11.453  131.464   10.222 -12.12039 15.35171 
1 1 1   -2    4   40 o  645.578   8.2530  1128.15   28.790  1124.18   40.669  1132.14   40.763  644.438   11.679  646.718   11.664 -2.279419 16.50606 
1 1 1   -2    4   41 o  639.585   8.2009  1106.66   28.328  1128.70   40.859  1086.26   39.311  645.701   11.710  633.469   11.484 12.23163 16.40176 
1 1 1   -2    4   42 o  661.743   8.4323  1185.88   30.146  1199.78   43.157  1172.64   42.128  665.519   12.001  657.968   11.849 7.550903 16.86464 
1 1 1   -2    4   43 o  380.775   13.148  393.018   27.054   0.0000   0.0000  393.018   27.054  ?   ?   380.775   13.148      ?      ? 
1 1 1   -2    4   44 o  618.727   9.8910  1044.57   31.482  1056.75   39.085  1022.07   53.123  624.359   11.585  613.095   16.035 11.26398 19.78207 
1 1 1   -2    4   45 o  292.222   6.9473  230.666   10.178  233.108   18.221  229.559   12.271  293.200   11.501  291.243   7.7969 1.956299 13.89457 
1 1 1   -2    4   46 o  556.312   9.1744  833.948   25.568  858.333   46.028  823.065   30.749  561.611   15.167  551.013   10.327 10.59827 18.34887 
1 1 1   -2    4   47 f  382.854   5.9009  396.870   12.201  403.817   17.598  390.439   16.932  386.067   8.4354  379.641   8.2538 6.426575 11.80179 
1 1 1   -2    4   48 o  612.153   7.9515  1018.08   26.301  1007.61   36.917  1028.88   37.479  608.963   11.219  615.343   11.271 -6.379761 15.90310 
1 1 1   -2    4   49 o  391.410   7.2185  416.586   14.480  415.090   24.742  417.366   17.858  390.530   11.724  392.291   8.4242 -1.760803 14.43699 
1 1 1   -2    4   50 o  319.556   6.6828  276.843   10.956  279.504   18.741  275.462   13.504  320.437   10.823  318.675   7.8418 1.761963 13.36565 
1 1 1   -2    4   51 o  312.670   6.7685  264.369   10.855  261.337   13.356  270.270   18.632  310.340   7.9644  315.000   10.946 -4.659546 13.53699 
1 1 1   -2    4   52 o  145.407   6.9860   57.581   5.4880   58.007   7.8520   57.175   7.6735  145.924   9.9579  144.891   9.8009 1.032898 13.97200 
1 1 1   -2    4   53 o  279.499   6.5591  212.598   9.4635  213.468   15.951  212.125   11.756  279.604   10.557  279.393   7.7869 0.2112732 13.11825 
1 1 1   -2    4   54 o  219.103   7.6954  130.884   9.0957  140.923   13.295  122.049   12.471  226.987   10.839  211.220   10.927 15.76718 15.39079 
1 1 1   -2    4   55 o  230.701   7.6875  145.522   9.5689  155.969   13.968  136.284   13.136  238.490   10.838  222.912   10.905 15.57748 15.37494 
1 1 1   -2    4   56 o  392.262   7.4385  422.613   14.974  423.492   18.506  420.946   25.485  393.809   8.6962  390.715   12.071 3.094849 14.87708 
1 1 1   -2    4   57 o  191.192   8.9330   99.512   9.1221  112.973   14.287   90.248   11.852  201.735   13.106  180.649   12.142 21.08595 17.86609 
1 1 1   -2    4   58 o   80.953   16.234   19.752   7.4393   23.559   11.108   16.655   10.018   87.536   23.135   74.371   22.781 13.16463 32.46826 
1 1 1   -2    4   59 f   68.341   11.887   14.141   4.9751   4.4514   7.4802   21.828   6.6624   48.578   19.220   88.104   13.994 -39.52641 23.77472 
1 1 1   -2    4   60 o   93.193   10.240   24.336   5.1314   27.645   7.6898   21.680   6.8897   98.874   14.393   87.513   14.569 11.36086 20.47974 
1 1 1   -2    4   61 o  374.618   6.0423  386.266   12.229  381.212   17.385  391.216   17.205  372.111   8.6462  377.125   8.4429 -5.014099 12.08469 
1 1 1   -2    4   62 o   35.323   11.528  -4.5092   5.1133  -5.2781   7.6739  -3.8952   6.8573   35.792   16.603   34.854   15.997 0.9378967 23.05562 
1 1 1   -2    4   63 o  122.107   8.5581   41.872   5.6345   44.648   8.3112   39.511   7.6647  125.785   12.228  118.430   11.977 7.354378 17.11628 
1 1 1   -2    4   64 o   71.192   13.443   16.133   5.3382   13.004   7.9715   18.677   7.1878   64.460   20.413   77.924   17.498 -13.46352 26.88620 
1 1 1   -2    4   65 f   82.248   13.067   21.116   5.6656   23.143   8.2369   19.296   7.8052   86.202   18.252   78.294   18.705 7.908264 26.13425 
1 1 1   -2    4   66 o   59.741   14.613   11.241   5.7368   13.105   8.5281   9.7002   7.7532   63.215   21.189   56.268   20.130 6.947372 29.22633 
1 1 1   -2    4   67 o   96.902   12.653   30.083   6.3136   16.631   8.8787   43.843   8.9798   70.907   21.390  122.898   13.522 -51.99118 25.30517 
1 1 1   -2    4   68 o   59.567   14.555   11.599   5.8598   17.747   8.9453   6.9773   7.7556   69.730   21.555   49.403   19.563 20.32679 29.10901 
1 1 1   -2    4   69 o   68.472   14.143   15.361   5.8895   24.074   8.9404   8.6818   7.8280   83.950   19.994   52.994   20.007 30.95536 28.28552 
1 1 1   -2    4   70 o  153.293   8.0699   69.218   6.6631   75.775   9.9078   63.803   9.0032  159.807   11.473  146.779   11.351 13.02856 16.13977 
1 1 1   -2    5    1 o  1517.94   25.535  6242.76  209.449  6242.76  209.449   0.0000   0.0000  1517.94   25.535  ?   ?       ?      ? 
1 1 1   -2    5    4 o  1082.01   12.977  3166.79   75.846  3216.58  109.012  3120.07  105.594  1090.23   18.504  1073.78   18.198 16.45300 25.95355 
1 1 1   -2    5    5 o  685.338   8.4353  1269.05   31.223  1295.13   45.025  1244.88   43.336  692.114   12.039  678.562   11.819 13.55267 16.87070 
1 1 1   -2    5    7 o  1121.16   13.425  3401.35   81.335  3402.25  115.055  3400.45  114.995  1121.30   18.989  1121.01   18.984 0.2962646 26.85051 
1 1 1   -2    5    9 o  1449.74   17.256  5691.03  135.179  5682.92  190.931  5699.17  191.413  1448.71   24.390  1450.78   24.416 -2.065796 34.51122 
1 1 1   -2    5   10 f  705.464   8.6642  1345.25   33.026  1355.20   47.075  1335.61   46.345  708.030   12.304  702.898   12.202 5.132446 17.32838 
1 1 1   -2    5   11 o  820.568   9.9639  1819.81   44.166  1791.36   61.505  1850.11   63.461  813.952   13.984  827.184   14.198 -13.23157 19.92782 
1 1 1   -2    5   12 o  948.827   11.429  2433.87   58.578  2394.53   81.496  2475.92   84.256  940.908   16.029  956.746   16.297 -15.83844 22.85884 
1 1 1   -2    5   13 o  841.484   10.214  1914.18   46.426  1884.03   64.634  1946.31   66.729  834.649   14.331  848.320   14.557 -13.67126 20.42734 
1 1 1   -2    5   14 o  1371.26   16.338  5092.93  121.036  5033.55  169.060  5155.37  173.364  1363.09   22.952  1379.43   23.258 -16.34521 32.67633 
1 1 1   -2    5   15 o  393.563   5.3531  418.602   11.384  416.237   16.032  421.008   16.168  392.442   7.5598  394.685   7.5809 -2.242554 10.70615 
1 1 1   -2    5   16 o  862.560   10.457  2012.15   48.724  1982.45   67.890  2043.69   69.968  856.009   14.677  869.112   14.898 -13.10272 20.91351 
1 1 1   -2    5   17 o  741.895   9.1004  1489.13   36.480  1500.49   52.016  1478.14   51.175  744.674   12.927  739.116   12.813 5.557129 18.20085 
1 1 1   -2    5   18 o  531.485   6.7879  763.688   19.490  752.353   27.210  775.633   27.931  527.439   9.5470  535.531   9.6519 -8.092468 13.57582 
1 1 1   -2    5   19 o  259.775   6.0146  182.401   8.4429   0.0000   0.0000  182.401   8.4429  ?   ?   259.775   6.0146      ?      ? 
1 1 1   -2    5   20 o  700.359   8.6509  1327.36   32.736  1314.04   45.880  1341.18   46.722  696.785   12.185  703.934   12.283 -7.149170 17.30174 
1 1 1   -2    5   21 o  288.254   4.4972  224.462   7.0027  218.456   9.7564  230.844   10.057  284.279   6.3512  292.228   6.3689 -7.948944 8.994493 
1 1 1   -2    5   22 o  343.308   4.9683  318.245   9.2105  307.726   12.742  329.754   13.329  337.376   6.9895  349.240   7.0627 -11.86435 9.936573 
1 1 1   -2    5   23 o  436.833   8.1616  516.551   19.265  515.541   27.206  517.568   27.285  436.405   11.537  437.262   11.548 -0.8562622 16.32327 
1 1 1   -2    5   24 o  574.441   10.240  893.792   31.771  877.928   44.162  910.811   45.743  569.175   14.359  579.707   14.602 -10.53149 20.47942 
1 1 1   -2    5   25 o  352.190   7.0061  335.490   13.331  331.306   18.647  339.865   19.067  349.947   9.8609  354.434   9.9552 -4.486786 14.01225 
1 1 1   -2    5   26 o  280.116   4.5594  212.038   6.9001  207.887   9.6493  216.382   9.8708  277.312   6.4393  282.920   6.4565 -5.608856 9.118753 
1 1 1   -2    5   27 o  683.156   12.104  1264.70   44.669  1243.69   62.296  1286.94   64.085  677.332   17.021  688.980   17.213 -11.64868 24.20735 
1 1 1   -2    5   28 o  372.760   7.7092  375.658   15.514  380.856   22.497  370.946   21.422  375.208   11.096  370.311   10.705 4.897217 15.41837 
1 1 1   -2    5   29 o  269.812   5.8699  199.294   7.9749  189.932   13.952  203.836   9.7190  265.013   9.7431  274.612   6.5496 -9.599365 11.73984 
1 1 1   -2    5   30 o  379.113   5.4282  388.500   11.119  390.414   15.844  386.643   15.609  380.032   7.7152  378.195   7.6378 1.837463 10.85636 
1 1 1   -2    5   31 o  469.055   6.2749  594.792   15.903  595.566   22.645  594.040   22.339  469.354   8.9285  468.756   8.8192 0.5980530 12.54973 
1 1 1   -2    5   32 o  716.866   8.8990  1389.93   34.465  1404.71   49.323  1375.83   48.179  720.583   12.667  713.148   12.502 7.434387 17.79794 
1 1 1   -2    5   33 o  874.563   10.672  2070.00   50.422  2042.76   70.415  2098.67   72.236  868.670   15.001  880.457   15.183 -11.78735 21.34372 
1 1 1   -2    5   34 o  321.696   5.1648  279.573   8.9750  269.674   12.533  289.991   12.858  315.855   7.3433  327.538   7.2648 -11.68372 10.32965 
1 1 1   -2    5   35 o  1204.71   14.474  3933.96   94.180  3864.47  130.759  4008.87  135.765  1193.70   20.272  1215.71   20.667 -22.00818 28.94897 
1 1 1   -2    5   36 o  301.712   5.1897  245.299   8.4470  231.775   11.554  260.830   12.381  292.808   7.3021  310.617   7.3764 -17.80969 10.37938 
1 1 1   -2    5   37 o  325.928   5.3687  287.206   9.4552  288.938   13.407  285.493   13.336  326.906   7.5899  324.951   7.5950 1.955109 10.73735 
1 1 1   -2    5   38 o  307.151   5.4369  254.875   9.0201  262.185   12.987  248.062   12.538  311.402   7.7178  302.900   7.6600 8.501770 10.87384 
1 1 1   -2    5   39 o  624.733   8.0242  1055.22   27.070  1028.75   37.450  1084.19   39.173  616.545   11.241  632.921   11.454 -16.37585 16.04839 
1 1 1   -2    5   40 o  517.274   7.0138  723.446   19.597  707.145   27.265  740.869   28.188  511.253   9.8691  523.295   9.9685 -12.04211 14.02752 
1 1 1   -2    5   41 o  546.852   7.2967  808.784   21.552  791.127   29.941  827.771   31.048  540.668   10.248  553.035   10.389 -12.36700 14.59331 
1 1 1   -2    5   42 o  557.657   7.4067  841.886   22.319  837.531   31.529  846.261   31.599  556.210   10.490  559.104   10.459 -2.894653 14.81340 
1 1 1   -2    5   43 o  1189.49   29.072  3889.64  186.862   0.0000   0.0000  3889.64  186.862  ?   ?   1189.49   29.072      ?      ? 
1 1 1   -2    5   44 o  428.285   7.9033  501.325   17.074  485.586   29.891  508.948   20.802  422.997   13.077  433.572   8.8790 -10.57535 15.80655 
1 1 1   -2    5   45 o  612.436   9.8425  1021.09   30.552  1012.84   53.313  1025.13   37.282  610.002   16.174  614.870   11.221 -4.868713 19.68501 
1 1 1   -2    5   46 o  585.633   7.6719  930.266   24.277  921.771   34.170  938.925   34.500  582.934   10.848  588.333   10.852 -5.398071 15.34385 
1 1 1   -2    5   47 o  371.944   5.8411  373.987   11.721  389.214   17.175  360.711   16.036  378.999   8.3861  364.889   8.1331 14.11011 11.68217 
1 1 1   -2    5   48 o  308.018   5.5857  257.117   9.2955  251.530   13.142  262.710   13.149  304.660   7.9829  311.377   7.8151 -6.716980 11.17150 
1 1 1   -2    5   49 o  308.623   5.5932  258.360   9.3245  252.428   13.252  264.177   13.123  305.095   8.0379  312.151   7.7801 -7.055756 11.18647 
1 1 1   -2    5   50 o  437.703   7.6506  518.995   17.061  529.054   29.665  514.024   20.855  440.323   12.468  435.082   8.8704 5.240173 15.30114 
1 1 1   -2    5   51 o  124.584   9.1720   42.546   5.8986   42.095   9.9012   42.794   7.3441  123.846   14.795  125.322   10.845 -1.475586 18.34405 
1 1 1   -2    5   52 o  316.835   7.6106  273.990   13.030  274.549   18.372  273.423   18.481  317.173   10.720  316.496   10.806 0.6767883 15.22119 
1 1 1   -2    5   53 o  191.576   8.0205  100.451   8.2988  103.468   11.693   97.387   11.780  194.522   11.124  188.630   11.557 5.892029 16.04094 
1 1 1   -2    5   54 o  268.315   7.5340  196.920   10.922  202.027   15.523  191.914   15.369  271.785   10.570  264.844   10.739 6.941376 15.06806 
1 1 1   -2    5   55 o  330.366   5.7233  297.291   10.209  301.104   14.771  293.804   14.127  332.347   8.2249  328.386   7.9610 3.961060 11.44668 
1 1 1   -2    5   56 o  175.002   7.8849   81.693   7.1570   75.719   8.8159   93.243   12.257  166.250   9.8134  183.753   12.344 -17.50317 15.76982 
1 1 1   -2    5   57 o  228.316   8.5758  144.569   10.516  142.005   15.678  146.667   14.178  226.144   12.829  230.488   11.384 -4.344345 17.15167 
1 1 1   -2    5   58 o  146.186   10.595   61.007   8.2390   52.387   12.115   68.423   11.238  135.810   16.509  156.561   13.283 -20.75182 21.18923 
1 1 1   -2    5   59 o  127.856   8.0500   45.427   5.5345   45.195   8.2270   45.620   7.4801  127.378   11.952  128.334   10.786 -0.9556122 16.09995 
1 1 1   -2    5   60 f  245.885   5.6837  164.184   7.5021  179.475   11.436  152.631   9.9399  255.731   8.2756  236.039   7.7931 19.69193 11.36742 
1 1 1   -2    5   61 o  248.088   5.7570  169.238   7.6950  168.310   11.306  170.040   10.503  247.285   8.4608  248.892   7.8095 -1.606659 11.51406 
1 1 1   -2    5   62 o  260.213   5.7888  185.411   8.1039  198.063   12.170  175.333   10.862  268.006   8.4037  252.419   7.9636 15.58696 11.57759 
1 1 1   -2    5   63 o  161.816   6.9989   73.207   6.0777   68.443   8.9409   77.300   8.2868  156.574   10.568  167.058   9.1797 -10.48442 13.99783 
1 1 1   -2    5   64 o   59.307   14.136   10.626   5.3268   11.128   8.1539   10.252   7.0356   60.462   20.717   58.153   19.239 2.309586 28.27208 
1 1 1   -2    5   65 o   67.812   13.924   13.962   5.6891   21.765   8.6040   7.9001   7.5834   82.389   19.609   53.235   19.773 29.15361 27.84805 
1 1 1   -2    5   66 o   63.565   14.768   13.224   5.9028   11.564   8.8782   14.539   7.9024   60.499   21.551   66.632   20.197 -6.132679 29.53613 
1 1 1   -2    5   67 f   90.664   12.904   25.931   6.1689   22.614   9.0794   28.775   8.4076   83.149   20.368   98.179   15.848 -15.02984 25.80723 
1 1 1   -2    5   68 o  139.915   8.6842   58.059   6.5288   60.573   9.8353   56.078   8.7295  142.036   12.814  137.794   11.724 4.241745 17.36833 
1 1 1   -2    5   69 o   54.590   14.607   9.4354   5.8290   10.474   9.1671   8.7303   7.5524   56.476   21.572   52.704   19.702 3.772400 29.21473 
1 1 1   -2    6    4 o  1045.77   12.555  2955.38   70.888  3031.31  102.881  2886.74   97.812  1058.53   17.986  1033.02   17.523 25.51624 25.11079 
1 1 1   -2    6    7 o  1087.93   13.037  3201.56   76.638  3223.59  109.159  3180.14  107.624  1091.61   18.506  1084.24   18.369 7.371704 26.07467 
1 1 1   -2    6    8 o  446.048   5.8791  537.664   14.170  540.208   20.153  535.177   19.926  447.091   8.3419  445.005   8.2866 2.085907 11.75814 
1 1 1   -2    6    9 o  831.620   10.122  1869.95   45.484  1859.74   64.045  1880.34   64.607  829.330   14.291  833.909   14.337 -4.578857 20.24353 
1 1 1   -2    6   10 o  1662.21   19.756  7487.37  177.421  7563.84  253.693  7414.16  248.219  1670.49   28.105  1653.94   27.773 16.54919 39.51231 
1 1 1   -2    6   11 o  1490.81   17.738  6021.95  142.891  6038.68  202.746  6005.43  201.416  1492.86   25.133  1488.76   25.037 4.099243 35.47568 
1 1 1   -2    6   12 o  435.319   5.7924  511.970   13.622  520.290   19.552  504.122   18.988  438.753   8.2466  431.884   8.1364 6.868866 11.58478 
1 1 1   -2    6   13 o  1025.08   12.320  2843.51   68.245  2837.95   96.340  2849.10   96.685  1024.08   17.409  1026.09   17.438 -2.006592 24.64065 
1 1 1   -2    6   14 o  1346.32   16.056  4911.01  116.804  4895.73  164.611  4926.51  165.767  1344.22   22.662  1348.42   22.750 -4.204834 32.11143 
1 1 1   -2    6   15 o  409.645   5.5427  452.557   12.251  471.549   17.939  435.962   16.770  417.678   7.9484  401.613   7.7273 16.06519 11.08547 
1 1 1   -2    6   16 o  495.063   6.4236  662.683   17.184  660.937   24.256  664.441   24.348  494.409   9.0791  495.717   9.0897 -1.308289 12.84730 
1 1 1   -2    6   17 o  984.915   11.886  2628.77   63.256  2634.96   89.706  2622.66   89.211  986.062   16.836  983.768   16.782 2.294495 23.77102 
1 1 1   -2    6   18 o  543.019   6.9357  796.873   20.340  778.856   28.189  816.441   29.378  536.627   9.7210  549.412   9.8953 -12.78497 13.87138 
1 1 1   -2    6   19 o  488.107   6.3576  644.077   16.765  633.482   23.408  655.234   24.022  483.989   8.9503  492.224   9.0316 -8.235077 12.71523 
1 1 1   -2    6   20 o  503.210   6.5324  684.262   17.753  667.068   24.609  702.921   25.636  496.628   9.1701  509.792   9.3060 -13.16379 13.06488 
1 1 1   -2    6   21 o  148.895   4.2954   59.755   3.4454   62.019   5.1120   57.871   4.6638  151.469   6.2457  146.320   5.8985 5.148575 8.590778 
1 1 1   -2    6   22 o  156.747   5.4278   66.409   4.5953   67.365   6.6170   65.518   6.3865  157.835   7.7583  155.659   7.5928 2.175827 10.85551 
1 1 1   -2    6   23 o  326.432   6.6822  288.256   11.786  285.135   16.584  291.441   16.755  324.646   9.4532  328.217   9.4468 -3.570740 13.36434 
1 1 1   -2    6   24 o  516.850   8.1446  722.357   21.532  720.891   26.469  725.225   37.023  516.226   9.4887  517.475   13.240 -1.249390 16.28913 
1 1 1   -2    6   25 o   53.597   8.4962   7.9910   2.4899   10.833   3.5438   5.2206   3.4990   63.276   10.364   43.918   13.465 19.35757 16.99235 
1 1 1   -2    6   26 o  333.531   6.2155  305.523   10.687  317.439   13.399  284.685   17.719  342.660   7.2362  324.403   10.108 18.25705 12.43110 
1 1 1   -2    6   27 o  623.886   11.229  1054.26   37.850  1042.12   53.009  1066.89   54.063  620.228   15.817  627.544   15.943 -7.315796 22.45760 
1 1 1   -2    6   28 o  843.959   14.677  1932.52   66.928  1912.84   93.800  1952.93   95.526  839.597   20.675  848.321   20.839 -8.723633 29.35485 
1 1 1   -2    6   29 o  206.408   4.5503  115.192   5.0704  108.941   7.1443  121.537   7.1972  200.761   6.5855  212.055   6.2810 -11.29343 9.100512 
1 1 1   -2    6   30 o  524.449   6.8423  743.678   19.391  738.820   27.354  748.584   27.491  522.727   9.6842  526.170   9.6688 -3.443176 13.68466 
1 1 1   -2    6   31 o  698.023   8.7017  1317.98   32.821  1319.13   46.538  1316.84   46.296  698.324   12.333  697.721   12.279 0.6031494 17.40339 
1 1 1   -2    6   32 o  732.172   9.0863  1449.50   35.933  1420.96   49.915  1480.19   51.769  724.705   12.746  739.639   12.953 -14.93353 18.17255 
1 1 1   -2    6   33 o  484.970   6.4987  635.932   17.030  633.206   24.083  638.659   24.087  483.930   9.2094  486.010   9.1716 -2.080597 12.99740 
1 1 1   -2    6   34 o  457.956   6.2623  565.906   15.473  586.434   22.657  547.964   21.182  465.718   9.0029  450.194   8.7070 15.52429 12.52457 
1 1 1   -2    6   35 o  1104.96   13.341  3310.28   79.657  3299.81  112.354  3320.86  112.952  1103.21   18.847  1106.71   18.887 -3.503418 26.68232 
1 1 1   -2    6   36 o  582.433   7.5504  916.896   23.748  895.595   32.874  940.143   34.343  575.372   10.573  589.494   10.781 -14.12122 15.10083 
1 1 1   -2    6   37 o  641.526   8.1838  1112.95   28.355  1089.82   39.339  1137.95   40.907  634.604   11.472  648.447   11.674 -13.84326 16.36751 
1 1 1   -2    6   38 o  351.887   5.7088  334.688   10.853  326.602   15.183  343.136   15.520  347.542   8.0846  356.232   8.0623 -8.689178 11.41761 
1 1 1   -2    6   39 o  1193.69   14.402  3871.38   92.891  3842.18  130.384  3901.47  132.375  1189.15   20.291  1198.24   20.444 -9.090088 28.80435 
1 1 1   -2    6   40 o  1363.11   16.392  5058.12  120.737  5037.14  170.100  5079.41  171.404  1360.29   23.141  1365.94   23.222 -5.659790 32.78386 
1 1 1   -2    6   41 o  446.851   6.4107  540.255   15.478  541.885   22.023  538.665   21.759  447.514   9.1072  446.188   9.0247 1.325775 12.82131 
1 1 1   -2    6   42 o  304.732   6.9274  254.790   10.905  263.782   13.692  239.189   18.034  312.270   8.1145  297.193   11.230 15.07770 13.85471 
1 1 1   -2    6   43 o  275.723   5.7327  204.922   8.5220  217.723   12.579  194.063   11.586  283.645   8.2072  267.801   8.0062 15.84427 11.46547 
1 1 1   -2    6   44 o  1051.06   15.788  3036.18   84.829  2988.74  145.115  3060.81  104.553  1042.49   25.760  1059.62   18.260 -17.12781 31.57560 
1 1 1   -2    6   45 f  648.326   8.3286  1140.41   29.178  1136.87   41.302  1143.93   41.225  647.316   11.808  649.337   11.749 -2.021423 16.65719 
1 1 1   -2    6   46 o  189.519   6.2459   97.483   6.3858   92.395   9.1180  102.380   8.9462  184.639   9.1388  194.400   8.5164 -9.760788 12.49187 
1 1 1   -2    6   47 o  224.927   5.6940  137.113   6.9134  136.210   9.9904  137.944   9.5768  224.200   8.2463  225.654   7.8540 -1.453781 11.38802 
1 1 1   -2    6   48 o  123.890   8.1112   41.872   5.4086   39.984   7.8973   43.540   7.4226  121.209   12.058  126.571   10.853 -5.362305 16.22231 
1 1 1   -2    6   49 o  448.891   6.4300  547.246   15.597  543.479   22.094  550.988   22.020  447.339   9.1399  450.443   9.0468 -3.103455 12.86009 
1 1 1   -2    6   50 o  513.834   7.0181  717.937   19.486  711.843   27.539  724.047   27.575  511.639   9.9610  516.030   9.8891 -4.391113 14.03626 
1 1 1   -2    6   51 o   62.202   14.045   10.847   5.4050   6.6014   9.1168   13.148   6.7118   56.685   21.545   67.719   18.024 -11.03400 28.09040 
1 1 1   -2    6   52 o  252.478   7.3949  173.487   10.075  184.369   14.710  163.874   13.826  259.910   10.474  245.045   10.442 14.86440 14.78975 
1 1 1   -2    6   53 o  128.214   10.128   45.308   7.0121   46.036   10.138   44.640   9.7090  129.164   14.525  127.263   14.118 1.900665 20.25614 
1 1 1   -2    6   54 o  170.555   9.2799   79.391   8.5525   79.391   8.5525   0.0000   0.0000  170.555   9.2799  ?   ?       ?      ? 
1 1 1   -2    6   55 o  347.881   5.7932  329.964   10.884  330.573   15.657  329.395   15.141  348.141   8.3228  347.621   8.0606 0.5198059 11.58632 
1 1 1   -2    6   56 o  257.165   6.9232  178.014   9.1223  171.371   11.150  191.464   15.866  250.574   8.2345  263.757   11.132 -13.18298 13.84637 
1 1 1   -2    6   57 o  175.675   9.5399   84.548   8.9743  100.450   13.781   72.838   11.825  189.783   13.438  161.566   13.545 28.21654 19.07988 
1 1 1   -2    6   58 o  268.834   8.2434  198.180   11.877  217.770   18.266  183.829   15.633  279.964   12.074  257.704   11.227 22.25964 16.48677 
1 1 1   -2    6   59 o   88.815   11.424   22.866   5.2368   25.115   8.0594   21.223   6.8893   92.389   16.761   85.241   15.529 7.147881 22.84875 
1 1 1   -2    6   60 o  182.079   6.3838   91.284   6.2364   91.659   9.3992   90.989   8.3356  182.206   9.5464  181.951   8.4780 0.2555389 12.76757 
1 1 1   -2    6   61 o  189.662   6.3225   98.434   6.4441  107.369   9.7584   91.525   8.5814  197.129   9.1610  182.195   8.7163 14.93358 12.64509 
1 1 1   -2    6   62 o   53.306   13.396   6.4110   5.2425   13.173   7.7888   0.8107   7.0885   65.330   20.100   41.282   17.715 24.04763 26.79291 
1 1 1   -2    6   63 o  178.165   6.6852   88.142   6.4051   87.939   9.5249   88.309   8.6539  177.738   9.9173  178.591   8.9674 -0.8533325 13.37037 
1 1 1   -2    6   64 o  135.678   8.5501   53.363   6.1164   42.665   8.9489   62.741   8.3789  121.767   13.600  149.589   10.366 -27.82191 17.10029 
1 1 1   -2    6   65 o  279.777   6.0357  217.712   9.0973  223.165   13.463  213.130   12.341  282.715   8.8127  276.840   8.2496 5.875702 12.07145 
1 1 1   -2    6   66 o   70.798   14.693   16.502   5.9686   16.783   8.9168   16.273   8.0337   71.026   21.438   70.570   20.098 0.4567642 29.38551 
1 1 1   -2    6   67 o   65.187   14.709   14.282   5.9750   10.963   9.1555   16.744   7.8857   59.153   21.773   71.222   19.783 -12.06868 29.41804 
1 1 1   -2    6   68 o  211.355   6.5864  127.036   7.4612  130.688   11.350  124.257   9.9010  213.366   9.8446  209.345   8.7525 4.021347 13.17278 
1 1 1   -2    6   69 o  153.123   7.9798   69.557   6.4782   63.027   9.8233   74.583   8.6178  145.308   12.511  160.939   9.9094 -15.63051 15.95964 
1 1 1   -2    7    4 o  180.262   4.0423   86.474   3.9066  102.254   5.9414   74.456   5.1850  194.529   5.6522  165.994   5.7805 28.53473 8.084641 
1 1 1   -2    7    5 o  780.225   9.5439  1645.43   40.229  1665.81   57.616  1626.04   56.196  784.935   13.584  775.515   13.410 9.420532 19.08780 
1 1 1   -2    7    6 o  1163.80   13.934  3664.79   87.625  3678.33  124.457  3651.49  123.392  1165.93   19.754  1161.67   19.657 4.253418 27.86793 
1 1 1   -2    7    8 o  1187.19   14.198  3814.65   91.085  3809.93  128.688  3819.38  128.939  1186.46   20.072  1187.92   20.087 -1.467773 28.39676 
1 1 1   -2    7    9 o  882.993   10.708  2108.23   51.082  2081.90   71.375  2135.89   73.140  877.346   15.055  888.639   15.231 -11.29230 21.41625 
1 1 1   -2    7   11 o  788.602   9.6416  1681.59   41.081  1665.54   57.559  1698.25   58.651  784.771   13.573  792.432   13.697 -7.661560 19.28321 
1 1 1   -2    7   12 o  895.615   10.864  2169.63   52.570  2188.61   75.048  2151.35   73.661  899.455   15.441  891.776   15.286 7.679016 21.72751 
1 1 1   -2    7   13 o  634.965   7.9449  1089.80   27.252  1104.86   39.109  1075.58   37.996  639.225   11.322  630.705   11.149 8.520325 15.88978 
1 1 1   -2    7   14 o  371.190   5.2170  372.361   10.463  366.917   14.681  377.982   14.916  368.433   7.3741  373.947   7.3819 -5.514191 10.43404 
1 1 1   -2    7   15 o  296.698   4.6271  237.949   7.4181  235.098   10.483  240.809   10.498  294.917   6.5783  298.479   6.5091 -3.561829 9.254281 
1 1 1   -2    7   16 o  781.230   9.5734  1652.02   40.409  1666.22   57.667  1638.31   56.642  784.522   13.603  777.939   13.474 6.583069 19.14671 
1 1 1   -2    7   17 o  442.120   5.9194  528.544   14.142  527.370   20.013  529.715   19.986  441.629   8.3863  442.611   8.3563 -0.9818726 11.83882 
1 1 1   -2    7   18 o  430.901   5.8056  501.882   13.515  493.039   18.885  511.166   19.350  427.012   8.1844  434.789   8.2361 -7.776398 11.61115 
1 1 1   -2    7   19 o  308.823   4.7317  257.830   7.8955  254.129   11.160  261.539   11.172  306.603   6.7361  311.043   6.6468 -4.440277 9.463347 
1 1 1   -2    7   20 o  452.371   8.4180  551.599   20.513  582.207   30.510  526.351   27.710  463.756   12.175  440.986   11.629 22.76932 16.83603 
1 1 1   -2    7   21 o  824.761   14.242  1848.30   63.470  1837.39   89.281  1859.46   90.248  822.310   20.093  827.211   20.190 -4.901550 28.48402 
1 1 1   -2    7   22 o  128.094   5.9361   44.457   4.0779   43.716   6.1288   45.045   5.4627  127.127   8.9217  129.062   7.8328 -1.934982 11.87226 
1 1 1   -2    7   23 o  663.200   8.2861  1190.43   29.692  1179.06   41.657  1202.17   42.333  659.987   11.681  666.413   11.756 -6.425781 16.57218 
1 1 1   -2    7   24 o  275.530   4.6151  205.223   6.8711  202.929   9.6906  207.541   9.7441  273.982   6.5455  277.078   6.5081 -3.096710 9.230301 
1 1 1   -2    7   25 o  392.615   6.8925  417.914   13.732  419.746   16.774  414.189   23.914  394.003   7.8784  391.227   11.312 2.775177 13.78492 
1 1 1   -2    7   26 o  702.672   12.478  1338.48   47.380  1333.33   66.808  1343.69   67.204  701.315   17.629  704.030   17.665 -2.714661 24.95666 
1 1 1   -2    7   27 o  848.682   14.769  1954.67   67.729  1961.71   96.175  1947.75   95.396  850.190   20.934  847.175   20.839 3.014099 29.53801 
1 1 1   -2    7   28 o  744.053   11.351  1499.35   42.858  1499.55   74.793  1499.25   52.296  743.782   18.609  744.325   13.002 -0.5433350 22.70152 
1 1 1   -2    7   29 f  147.596   5.1704   58.867   4.1160   59.163   6.0147   58.606   5.6446  147.943   7.5237  147.249   7.0941 0.6941376 10.34076 
1 1 1   -2    7   30 o  486.997   6.4900  640.763   17.069  653.279   24.650  629.234   23.659  491.559   9.2801  482.435   9.0754 9.123810 12.98008 
1 1 1   -2    7   31 o  746.753   9.2537  1508.45   37.335  1489.42   52.255  1528.30   53.362  741.947   13.034  751.558   13.140 -9.611206 18.50737 
1 1 1   -2    7   32 o  274.335   6.9289  203.424   10.271   0.0000   0.0000  203.424   10.271  ?   ?   274.335   6.9289      ?      ? 
1 1 1   -2    7   33 o  187.014   5.0354   94.448   5.0841   96.558   7.3768   92.538   7.0166  189.001   7.2229  185.028   7.0179 3.973938 10.07080 
1 1 1   -2    7   34 o  204.657   5.1634  113.168   5.7066  114.675   8.2381  111.778   7.9125  205.965   7.4020  203.349   7.2009 2.615616 10.32674 
1 1 1   -2    7   35 o  257.223   5.1784  178.635   7.1923  188.251   10.370  169.723   9.9837  263.886   7.2725  250.561   7.3738 13.32474 10.35671 
1 1 1   -2    7   36 f  332.896   5.4594  299.573   9.8196  295.289   13.767  304.008   14.010  330.474   7.7095  335.317   7.7319 -4.842712 10.91873 
1 1 1   -2    7   37 o  909.390   11.133  2240.12   54.691  2207.50   76.255  2274.69   78.483  902.592   15.635  916.187   15.853 -13.59515 22.26543 
1 1 1   -2    7   38 o  415.499   6.1195  466.695   13.736  457.190   19.171  476.724   19.691  411.154   8.6287  419.843   8.6797 -8.688751 12.23891 
1 1 1   -2    7   39 o  587.510   7.6912  933.628   24.408  950.055   35.114  918.271   33.951  592.500   10.967  582.521   10.786 9.979492 15.38245 
1 1 1   -2    7   40 o  757.252   9.4788  1552.81   38.769  1523.25   53.851  1584.61   55.860  749.794   13.291  764.709   13.518 -14.91449 18.95768 
1 1 1   -2    7   41 o  530.560   8.8785  754.454   23.669  740.658   28.497  785.135   42.497  523.094   10.082  538.027   14.617 -14.93225 17.75700 
1 1 1   -2    7   42 o  631.263   11.566  1079.62   39.452  1079.62   39.452   0.0000   0.0000  631.263   11.566  ?   ?       ?      ? 
1 1 1   -2    7   43 o  1020.15   15.372  2851.31   79.856  2831.08  137.998  2861.49   97.916  1015.33   25.152  1024.97   17.679 -9.642212 30.74389 
1 1 1   -2    7   44 o  477.230   6.7129  616.624   17.307  601.985   24.180  632.003   24.783  471.424   9.4920  483.035   9.4949 -11.61078 13.42579 
1 1 1   -2    7   45 o  290.891   5.5951  229.127   8.7904  228.141   12.619  230.056   12.253  290.273   8.0448  291.510   7.7783 -1.236725 11.19024 
1 1 1   -2    7   46 o  209.780   5.9459  119.192   6.7283  120.066   9.8278  118.420   9.2307  210.486   8.6406  209.073   8.1705 1.413834 11.89188 
1 1 1   -2    7   47 o  280.698   5.5444  212.892   8.3873  221.254   12.409  205.859   11.381  285.738   8.0366  275.658   7.6403 10.08081 11.08882 
1 1 1   -2    7   48 o  183.246   6.2482   91.063   6.1772   92.093   9.0137   90.150   8.4823  184.203   9.0557  182.289   8.6113 1.913696 12.49636 
1 1 1   -2    7   49 o  247.182   5.5448  165.686   7.3986  166.688   10.723  164.775   10.221  247.875   8.0056  246.489   7.6740 1.385559 11.08967 
1 1 1   -2    7   50 o  199.418   6.9147  109.245   7.1173  104.392   11.845  111.987   8.9038  195.711   11.200  203.125   8.1119 -7.413483 13.82937 
1 1 1   -2    7   51 o  185.890   7.9775   94.274   8.0090   97.748   11.551   91.059   11.114  189.181   11.299  182.599   11.264 6.581726 15.95490 
1 1 1   -2    7   52 o  350.794   7.9528  336.083   15.063  347.297   21.836  325.901   20.807  356.335   11.341  345.253   11.153 11.08194 15.90565 
1 1 1   -2    7   53 o  153.436   8.0800   64.034   6.5382   62.459   8.3345   66.554   10.543  151.213   10.200  155.659   12.534 -4.445908 16.16005 
1 1 1   -2    7   54 o  231.570   6.7212  146.878   8.1355  147.834   10.299  145.293   13.267  232.917   8.1829  230.223   10.665 2.694153 13.44233 
1 1 1   -2    7   55 o  104.920   9.2264   30.842   5.1598   26.222   7.5009   34.992   7.1091   97.119   14.293  112.721   11.671 -15.60155 18.45283 
1 1 1   -2    7   56 o  206.724   7.4985  114.665   7.9042  109.191   9.5930  126.239   13.949  199.773   8.8865  213.676   12.081 -13.90225 14.99709 
1 1 1   -2    7   57 o   43.255   13.789  -7.7011   7.4293 -19.5878   10.869   2.7230   10.178   34.858   17.078   51.652   21.654 -16.79423 27.57764 
1 1 1   -2    7   58 o  191.477   9.4122  103.618   9.6419   91.486   14.028  114.482   13.275  180.174   14.408  202.780   12.115 -22.60616 18.82449 
1 1 1   -2    7   59 f  150.284   7.1775   62.542   5.7869   61.463   8.6735   63.408   7.7690  148.896   10.780  151.672   9.4791 -2.775864 14.35495 
1 1 1   -2    7   60 o  215.191   6.0463  127.325   7.0004  128.443   10.412  126.403   9.4569  215.878   8.9255  214.505   8.1587 1.373383 12.09256 
1 1 1   -2    7   61 o   66.975   13.666   13.888   5.2654   11.736   7.8304   15.665   7.1137   62.424   20.279   71.526   18.323 -9.102371 27.33120 
1 1 1   -2    7   62 o  338.245   5.9374  315.643   10.848  314.517   15.534  316.716   15.156  337.556   8.5164  338.934   8.2755 -1.378448 11.87488 
1 1 1   -2    7   63 o  314.552   5.9139  273.219   10.039  279.424   14.643  267.717   13.788  317.776   8.5277  311.328   8.1961 6.448212 11.82783 
1 1 1   -2    7   64 o  132.690   8.6058   49.958   6.1207   51.231   9.3033   48.987   8.1273  133.780   12.869  131.600   11.429 2.180222 17.21166 
1 1 1   -2    7   65 o   80.500   13.442   20.668   5.8473   27.861   8.7146   14.778   7.8859   94.061   17.797   66.940   20.150 27.12080 26.88475 
1 1 1   -2    7   66 o  149.009   8.3793   64.228   6.6271   52.076   9.5049   75.723   9.2447  134.210   13.106  163.807   10.444 -29.59724 16.75862 
1 1 1   -2    7   67 o  114.840   9.9185   39.282   6.1224   43.376   9.2602   36.102   8.1603  119.883   14.295  109.798   13.754 10.08571 19.83707 
1 1 1   -2    7   68 o  105.447   10.953   33.303   5.9923   43.497   9.4180   26.369   7.7674  119.747   14.555   91.147   16.372 28.60011 21.90644 
1 1 1   -2    7   69 o   46.548   13.117   4.9390   5.5972  -3.4365   8.6341   11.010   7.3510   37.250   17.390   55.846   19.640 -18.59599 26.23302 
1 1 1   -2    8    7 o  806.180   13.966  1757.71   60.842   0.0000   0.0000  1757.71   60.842  ?   ?   806.180   13.966      ?      ? 
1 1 1   -2    8    8 o  655.169   8.1724  1160.23   28.926  1174.72   41.444  1146.46   40.392  659.155   11.636  651.183   11.479 7.972168 16.34484 
1 1 1   -2    8    9 o  498.408   6.5230  669.993   17.539  695.979   25.713  647.384   23.984  507.422   9.3777  489.395   9.0695 18.02783 13.04599 
1 1 1   -2    8   10 o  633.921   7.9592  1086.49   27.264  1089.44   38.695  1083.58   38.419  634.774   11.281  633.068   11.231 1.705872 15.91837 
1 1 1   -2    8   12 o  297.981   4.6696  239.867   7.5170  233.299   10.499  246.773   10.767  293.799   6.6134  302.164   6.5943 -8.364990 9.339266 
1 1 1   -2    8   13 o  391.806   5.4636  414.996   11.567  416.092   16.461  413.927   16.257  392.316   7.7647  391.296   7.6886 1.019897 10.92727 
1 1 1   -2    8   14 o  713.133   8.8243  1376.12   34.000  1388.12   48.558  1364.57   47.623  716.177   12.547  710.088   12.411 6.088928 17.64857 
1 1 1   -2    8   15 o  368.666   5.2595  367.282   10.473  372.490   15.080  362.430   14.555  371.187   7.5185  366.145   7.3566 5.041840 10.51894 
1 1 1   -2    8   16 o  818.997   10.020  1816.29   44.340  1801.90   62.270  1831.10   63.153  815.712   14.127  822.283   14.213 -6.570984 20.03960 
1 1 1   -2    8   17 o  202.328   4.2611  110.413   4.6515  114.781   6.8133  106.599   6.3658  206.067   6.1187  198.589   5.9321 7.477188 8.522238 
1 1 1   -2    8   18 o  104.082   6.1847   27.202   3.2892   35.901   5.9456   23.366   3.9484  115.206   9.5506   92.959   7.8604 22.24706 12.36934 
1 1 1   -2    8   19 o  616.637   10.943  1029.06   36.417  1060.81   53.119  1000.90   50.022  625.568   15.714  607.706   15.233 17.86102 21.88532 
1 1 1   -2    8   20 o  584.230   10.442  925.114   32.966  924.775   46.724  925.450   46.519  584.119   14.803  584.341   14.732 -0.2221069 20.88489 
1 1 1   -2    8   21 o  324.980   5.9185  284.718   9.9284  282.555   12.312  288.739   16.788  323.270   7.0484  326.690   9.5096 -3.420990 11.83696 
1 1 1   -2    8   22 o  175.545   4.4360   82.592   4.1882   90.936   6.3058   76.006   5.6025  183.409   6.3626  167.681   6.1831 15.72771 8.872074 
1 1 1   -2    8   23 o  639.402   8.0454  1106.15   27.792  1091.11   38.832  1121.94   39.793  634.953   11.318  643.850   11.438 -8.896423 16.09083 
1 1 1   -2    8   24 o  634.106   11.428  1088.85   39.129  1114.86   56.632  1065.09   54.127  641.323   16.342  626.888   15.979 14.43524 22.85534 
1 1 1   -2    8   25 o  1029.28   17.721  2881.61   98.558  2867.12  138.708  2896.40  140.065  1026.68   25.002  1031.88   25.120 -5.196533 35.44157 
1 1 1   -2    8   26 o  479.017   9.2172  620.869   23.853  628.604   34.165  613.513   33.317  481.922   13.120  476.113   12.950 5.808777 18.43431 
1 1 1   -2    8   27 o  532.446   8.6354  760.200   23.009  785.135   41.556  749.176   27.630  538.549   14.280  526.344   9.7147 12.20520 17.27083 
1 1 1   -2    8   28 o  773.088   9.5419  1616.49   39.847  1589.64   55.471  1645.12   57.278  766.467   13.393  779.709   13.595 -13.24207 19.08381 
1 1 1   -2    8   29 o  758.250   9.3844  1555.52   38.451  1556.33   54.517  1554.71   54.239  758.445   13.302  758.055   13.241 0.3900146 18.76883 
1 1 1   -2    8   30 o  769.370   9.5071  1601.53   39.523  1588.10   55.547  1615.30   56.247  766.106   13.418  772.634   13.472 -6.528015 19.01428 
1 1 1   -2    8   31 o  644.987   8.1691  1124.65   28.462  1102.11   39.612  1148.71   40.922  638.315   11.484  651.659   11.621 -13.34424 16.33821 
1 1 1   -2    8   32 o  902.526   11.016  2204.66   53.709  2171.20   74.896  2240.08   77.063  895.491   15.478  909.561   15.679 -14.06989 22.03188 
1 1 1   -2    8   33 o  693.991   8.7152  1302.40   32.672  1277.87   45.491  1328.54   46.954  687.251   12.250  700.730   12.400 -13.47882 17.43038 
1 1 1   -2    8   34 o  538.263   7.1004  783.618   20.652  781.477   29.229  785.752   29.184  537.527   10.063  538.998   10.020 -1.470703 14.20079 
1 1 1   -2    8   35 o  700.667   8.8214  1328.88   33.399  1331.04   47.388  1326.75   47.079  701.230   12.506  700.104   12.445 1.126587 17.64280 
1 1 1   -2    8   36 o  406.869   6.0535  447.383   13.305  437.123   18.524  458.317   19.122  402.055   8.5262  411.683   8.5957 -9.628357 12.10710 
1 1 1   -2    8   37 o  161.248   6.7685   69.712   5.8710   78.866   8.7727   62.286   7.9013  170.753   9.5078  151.743   9.6361 19.00941 13.53706 
1 1 1   -2    8   38 o  653.934   8.3872  1155.20   29.594  1115.42   40.532  1200.61   43.309  641.922   11.685  665.947   12.035 -24.02515 16.77449 
1 1 1   -2    8   39 o  880.019   10.837  2099.43   51.531  2085.16   72.431  2114.06   73.329  877.000   15.284  883.039   15.368 -6.039063 21.67411 
1 1 1   -2    8   40 o  537.789   8.9825  777.118   24.284  766.024   29.277  801.576   43.472  531.969   10.185  543.610   14.799 -11.64105 17.96496 
1 1 1   -2    8   41 o  694.209   10.876  1304.48   38.294  1298.04   46.653  1317.79   67.046  692.116   12.474  696.302   17.819 -4.186218 21.75152 
1 1 1   -2    8   42 o  748.271   11.627  1525.66   44.201  1514.41   76.777  1531.23   54.059  745.356   19.062  751.186   13.318 -5.829712 23.25381 
1 1 1   -2    8   43 o  398.847   6.1437  430.497   13.231  435.215   19.141  426.181   18.309  400.925   8.8350  396.770   8.5395 4.155518 12.28739 
1 1 1   -2    8   44 o  743.872   9.3693  1503.00   37.658  1508.25   53.638  1497.90   52.883  745.132   13.321  742.612   13.179 2.520020 18.73854 
1 1 1   -2    8   45 o  692.150   8.8139  1301.73   32.962  1287.40   46.234  1316.54   47.008  688.288   12.431  696.012   12.499 -7.724243 17.62789 
1 1 1   -2    8   46 o  679.281   8.6875  1254.84   31.886  1258.82   45.414  1250.96   44.779  680.320   12.354  678.242   12.218 2.077820 17.37494 
1 1 1   -2    8   47 o   54.264   13.543   6.8457   5.0809   3.8181   7.2730   9.7317   7.1010   48.408   19.015   60.119   19.290 -11.71081 27.08685 
1 1 1   -2    8   48 f  105.576   9.1642   30.445   5.2195   30.153   7.5820   30.709   7.1962  105.060   13.355  106.093   12.552 -1.032463 18.32842 
1 1 1   -2    8   49 o  478.483   8.1189  618.437   19.697  639.640   34.691  608.349   23.928  483.800   13.270  473.166   9.3585 10.63348 16.23777 
1 1 1   -2    8   50 o  290.549   7.4599  230.026   11.711  225.450   16.488  234.685   16.637  287.619   10.609  293.478   10.491 -5.859192 14.91985 
1 1 1   -2    8   51 o  193.870   7.9851  101.803   8.3086  120.113   12.361   86.712   11.222  209.703   10.908  178.038   11.665 31.66510 15.97024 
1 1 1   -2    8   52 o  224.378   6.9466  135.406   7.9269  143.063   13.946  131.751   9.6346  228.654   11.287  220.102   8.1007 8.552078 13.89313 
1 1 1   -2    8   53 o  179.440   7.4637   89.473   6.9398   83.041   11.345   93.318   8.7724  173.855   12.077  185.025   8.7740 -11.16989 14.92742 
1 1 1   -2    8   54 o  408.503   7.5120  459.883   15.879  465.338   19.864  450.225   26.430  412.791   8.9053  404.215   12.100 8.576019 15.02402 
1 1 1   -2    8   55 o   41.192   12.174  -1.8646   4.9835   5.9496   7.3764  -8.4261   6.7593   51.634   19.438   30.751   14.662 20.88314 24.34747 
1 1 1   -2    8   56 o  176.529   9.9005   86.174   9.3944   96.937   14.177   77.748   12.544  186.218   14.089  166.840   13.914 19.37784 19.80104 
1 1 1   -2    8   57 o  116.651   14.204   39.423   8.4822   57.838   12.890   25.360   11.265  142.549   16.734   90.752   22.955 51.79700 28.40709 
1 1 1   -2    8   58 o   71.365   15.644   11.320   7.8842   28.941   12.087  -1.7302   10.402   96.131   23.472   46.600   20.687 49.53093 31.28710 
1 1 1   -2    8   59 o  134.332   7.8338   49.655   5.6330   53.701   8.6984   46.732   7.3926  138.820   11.596  129.844   10.536 8.975601 15.66765 
1 1 1   -2    8   60 o  226.722   5.9517  142.086   7.2571  128.840   10.393  154.687   10.137  216.121   8.8997  237.323   7.9049 -21.20236 11.90346 
1 1 1   -2    8   61 o   58.218   13.802   9.5909   5.1610   12.990   7.7933   6.9361   6.8877   64.975   20.125   51.461   18.893 13.51393 27.60383 
1 1 1   -2    8   62 o   65.973   13.159   13.607   5.3748   5.8815   8.0869   19.719   7.1936   51.205   20.071   80.740   17.024 -29.53521 26.31833 
1 1 1   -2    8   63 o   80.486   12.497   19.127   5.5639   30.453   8.4783   10.560   7.3738  102.033   15.377   58.939   19.703 43.09441 24.99360 
1 1 1   -2    8   64 o  203.660   6.6002  116.326   7.2371  109.259   10.459  122.816   10.024  197.351   9.8077  209.968   8.8351 -12.61703 13.20035 
1 1 1   -2    8   65 o  139.799   8.3326   56.253   6.2553   51.500   9.0691   60.566   8.6391  133.598   12.563  146.001   10.950 -12.40303 16.66514 
1 1 1   -2    8   66 o   87.969   13.320   24.561   6.1250   25.716   9.0597   23.589   8.3125   89.606   19.282   86.332   18.382 3.273582 26.64038 
1 1 1   -2    8   67 o  120.813   9.6696   43.531   6.2086   55.797   9.4524   34.223   8.2338  136.302   12.834  105.324   14.467 30.97785 19.33919 
1 1 1   -2    8   68 o  100.688   11.526   32.152   5.9964   30.452   9.2025   33.407   7.9050   96.074   18.396  105.303   13.892 -9.229111 23.05227 
1 1 1   -2    9    1 o  431.345   8.2969  502.875   19.339   0.0000   0.0000  502.875   19.339  ?   ?   431.345   8.2969      ?      ? 
1 1 1   -2    9    5 f  355.870   5.2199  341.922   10.031  351.063   14.523  333.584   13.871  360.413   7.4570  351.328   7.3063 9.084808 10.43979 
1 1 1   -2    9    7 o  562.958   10.269  856.797   31.237  856.797   31.237   0.0000   0.0000  562.958   10.269  ?   ?       ?      ? 
1 1 1   -2    9    9 o  1067.34   12.860  3086.05   74.170  3082.21  104.790  3089.91  104.995  1066.67   18.180  1068.00   18.193 -1.330322 25.71998 
1 1 1   -2    9   10 o  827.348   10.119  1851.68   45.212  1889.33   65.270  1816.94   62.686  835.412   14.459  819.283   14.159 16.12830 20.23711 
1 1 1   -2    9   12 o  315.121   4.8643  268.410   8.2820  269.724   11.816  267.142   11.612  315.878   6.9224  314.364   6.8358 1.513580 9.728679 
1 1 1   -2    9   13 o  770.339   9.4964  1605.99   39.521  1582.88   55.158  1630.39   56.653  764.653   13.349  776.026   13.510 -11.37244 18.99286 
1 1 1   -2    9   14 o  1087.30   13.108  3206.80   77.012  3201.81  108.781  3211.82  109.042  1086.45   18.529  1088.15   18.545 -1.693481 26.21505 
1 1 1   -2    9   16 o  673.819   11.881  1229.95   43.227  1257.66   62.616  1204.73   59.748  681.031   17.015  666.607   16.587 14.42468 23.76199 
1 1 1   -2    9   17 o  769.490   13.393  1607.20   55.686  1615.77   79.312  1598.87   78.202  771.495   19.025  767.484   18.856 4.011414 26.78637 
1 1 1   -2    9   18 o  658.962   11.640  1177.48   41.443  1164.41   58.118  1190.99   59.114  655.251   16.414  662.673   16.508 -7.421265 23.27976 
1 1 1   -2    9   19 o  465.640   7.5562  587.245   18.073  588.240   22.340  585.360   30.749  466.333   8.8652  464.946   12.239 1.387085 15.11237 
1 1 1   -2    9   20 o  119.093   5.2991   38.080   3.3953   41.229   5.1014   35.577   4.5492  123.479   7.6455  114.707   7.3394 8.772369 10.59811 
1 1 1   -2    9   21 o  493.446   6.5197  658.604   17.384  659.203   24.696  658.015   24.474  493.667   9.2576  493.226   9.1829 0.4404602 13.03947 
1 1 1   -2    9   22 o  416.224   11.818  468.919   26.580   0.0000   0.0000  468.919   26.580  ?   ?   416.224   11.818      ?      ? 
1 1 1   -2    9   23 o  354.010   7.6623  339.013   14.656  342.342   20.929  335.811   20.529  355.712   10.889  352.307   10.784 3.404938 15.32466 
1 1 1   -2    9   24 o  357.428   7.7227  345.603   14.916  346.396   21.157  344.820   21.031  357.835   10.941  357.021   10.902 0.8135376 15.44536 
1 1 1   -2    9   25 o  715.294   12.698  1386.06   49.058  1414.41   70.675  1359.69   68.151  722.331   18.107  708.257   17.807 14.07428 25.39586 
1 1 1   -2    9   26 o  367.191   5.4340  364.382   10.780  355.040   15.114  374.056   15.380  362.401   7.7180  371.981   7.6516 -9.580414 10.86808 
1 1 1   -2    9   27 o  955.720   11.610  2472.25   59.938  2432.91   83.412  2514.25   86.186  947.880   16.285  963.560   16.553 -15.68018 23.22053 
1 1 1   -2    9   28 o  238.528   4.8121  153.521   6.1956  159.097   9.0241  148.549   8.5213  242.618   6.8833  234.439   6.7265 8.178894 9.624213 
1 1 1   -2    9   29 o  643.763   8.1669  1120.95   28.410  1120.79   40.280  1121.11   40.075  643.715   11.580  643.810   11.519 -0.9521484E-01 16.33384 
1 1 1   -2    9   30 o  506.311   6.7579  693.178   18.488  691.886   26.249  694.451   26.045  505.841   9.6031  506.781   9.5109 -0.9408875 13.51580 
1 1 1   -2    9   31 o  288.560   5.1060  224.834   7.9512  229.589   11.593  220.610   10.926  291.436   7.3616  285.685   7.0775 5.750214 10.21192 
1 1 1   -2    9   32 o  355.740   5.4878  341.834   10.538  347.653   15.318  336.607   14.519  358.608   7.9050  352.872   7.6142 5.736176 10.97566 
1 1 1   -2    9   33 o  1027.62   12.478  2862.10   69.286  2843.57   97.546  2880.96   98.431  1024.27   17.624  1030.97   17.668 -6.704224 24.95568 
1 1 1   -2    9   34 o  368.207   5.7103  366.354   11.358  356.799   15.824  376.506   16.312  363.259   8.0615  373.155   8.0896 -9.895996 11.42058 
1 1 1   -2    9   35 o  197.978   5.8473  106.121   6.2474  101.205   8.9094  110.877   8.7628  193.457   8.5226  202.499   8.0081 -9.042892 11.69467 
1 1 1   -2    9   36 o  972.867   11.882  2565.75   62.456  2541.12   87.584  2591.25   89.087  968.128   16.742  977.606   16.864 -9.477600 23.76313 
1 1 1   -2    9   37 o  510.500   7.0025  704.724   19.308  716.174   27.806  694.062   26.832  514.496   10.002  506.504   9.8034 7.991058 14.00499 
1 1 1   -2    9   38 o  828.577   10.283  1856.41   45.967  1793.07   62.886  1929.07   67.360  813.475   14.306  843.680   14.775 -30.20453 20.56638 
1 1 1   -2    9   39 o  423.335   7.9412  477.972   16.709  467.082   19.919  503.829   30.693  415.497   8.8718  431.174   13.173 -15.67691 15.88234 
1 1 1   -2    9   40 o  562.440   9.3215  854.626   26.529  849.530   32.237  865.315   46.693  560.160   10.650  564.720   15.301 -4.560364 18.64299 
1 1 1   -2    9   41 o  253.839   7.4225  169.592   9.3063  186.667   17.451  162.807   11.001  262.395   12.308  245.282   8.3001 17.11237 14.84504 
1 1 1   -2    9   42 o  267.910   7.4625  200.438   9.9319  178.941   17.480  210.685   12.069  256.811   12.597  279.009   8.0053 -22.19824 14.92503 
1 1 1   -2    9   43 o  764.460   9.5994  1586.03   39.631  1548.00   54.908  1627.38   57.259  754.938   13.460  773.983   13.691 -19.04425 19.19881 
1 1 1   -2    9   44 f  652.755   8.4169  1156.95   29.688  1155.01   42.046  1158.88   41.925  652.201   11.930  653.309   11.876 -1.107605 16.83371 
1 1 1   -2    9   45 o  825.898   10.303  1858.30   45.967  1824.89   63.981  1893.95   66.084  818.279   14.470  833.516   14.672 -15.23694 20.60688 
1 1 1   -2    9   46 o  191.630   6.3684   98.159   6.5465  114.373   9.9649   85.847   8.6832  205.354   8.9802  177.907   9.0324 27.44670 12.73682 
1 1 1   -2    9   47 o  261.644   5.6059  185.617   7.9177  185.964   11.465  185.301   10.948  261.856   8.1026  261.432   7.7495 0.4244385 11.21190 
1 1 1   -2    9   48 o   46.890   13.816   1.3630   5.6410   2.8739   9.2443   0.4666   7.1203   51.323   20.989   42.457   17.971 8.865635 27.63144 
1 1 1   -2    9   49 o  126.157   10.493   42.814   7.0550   54.279   10.775   34.212   9.3339  140.735   14.169  111.578   15.481 29.15670 20.98614 
1 1 1   -2    9   50 o  434.257   8.8604  514.265   20.726  543.018   30.826  490.540   28.001  445.155   12.815  423.359   12.240 21.79590 17.72084 
1 1 1   -2    9   51 o  687.826   8.8677  1297.62   32.957  1300.66   46.904  1294.65   46.318  688.568   12.606  687.084   12.475 1.483337 17.73532 
1 1 1   -2    9   52 o  152.533   7.1023   63.472   5.8410   64.517   8.5799   62.570   7.9741  153.654   10.334  151.412   9.7461 2.241257 14.20458 
1 1 1   -2    9   53 o  158.578   7.9849   69.812   6.5156   66.486   10.893   71.665   8.1301  155.190   12.990  161.965   9.2894 -6.775269 15.96987 
1 1 1   -2    9   54 o  243.298   5.8687  161.751   7.6994  156.674   11.146  166.385   10.648  239.551   8.6107  247.045   7.9764 -7.494827 11.73738 
1 1 1   -2    9   55 o  117.664   10.443   40.254   6.3513   47.230   8.4005   30.946   9.7041  130.744   11.890  104.584   17.171 26.16022 20.88614 
1 1 1   -2    9   56 o   47.305   15.054  -3.9022   8.1351  -7.2568   12.024  -1.0703   11.048   45.547   21.006   49.062   21.570 -3.514702 30.10833 
1 1 1   -2    9   57 o  302.625   8.6825  255.185   14.185  241.892   19.981  268.694   20.142  294.468   12.557  310.782   11.994 -16.31412 17.36491 
1 1 1   -2    9   58 o  208.573   7.8896  116.894   7.9209  129.640   15.482  112.374   9.2188  214.811   13.337  202.336   8.4317 12.47437 15.77916 
1 1 1   -2    9   59 o  156.051   7.2179   67.123   6.0670   72.466   9.0312   62.729   8.1904  161.626   10.341  150.476   10.073 11.14958 14.43576 
1 1 1   -2    9   60 o  123.975   8.8273   42.680   5.8693   49.744   8.9501   37.351   7.7745  132.847   12.468  115.103   12.500 17.74414 17.65464 
1 1 1   -2    9   61 o  184.181   6.6761   94.247   6.6040   92.628   9.8450   95.571   8.9047  182.458   9.9853  185.904   8.8642 -3.446564 13.35222 
1 1 1   -2    9   62 o  170.979   7.0678   80.757   6.4501   86.488   10.063   76.760   8.4035  175.747   10.596  166.212   9.3564 9.534958 14.13564 
1 1 1   -2    9   63 o  139.908   8.1810   54.188   6.1085   67.511   9.4000   44.449   8.0368  154.645   11.249  125.171   11.882 29.47433 16.36198 
1 1 1   -2    9   64 o   98.165   11.503   29.029   5.9121   35.088   8.8503   24.146   7.9446  108.580   15.084   87.750   17.370 20.83016 23.00507 
1 1 1   -2    9   65 o  215.133   9.8849  130.075   11.491  130.075   11.491   0.0000   0.0000  215.133   9.8849  ?   ?       ?      ? 
1 1 1   -2    9   66 o  162.512   7.7372   75.810   6.7711   73.669   9.8967   77.695   9.2842  159.906   11.453  165.117   10.406 -5.211685 15.47442 
1 1 1   -2    9   67 o  144.522   8.4289   60.906   6.5461   64.723   9.8891   57.929   8.7333  148.102   12.357  140.942   11.467 7.160156 16.85773 
1 1 1   -2    9   68 o  216.566   6.6698  134.091   7.7466  138.810   11.767  130.482   10.291  219.223   9.9337  213.909   8.9031 5.314438 13.33954 
1 1 1   -2   10    1 o  715.555   8.8925  1384.40   34.374  1405.78   49.337  1364.24   47.918  720.915   12.665  710.195   12.486 10.71979 17.78501 
1 1 1   -2   10    2 o  1222.04   14.669  4038.93   96.701  4185.52  141.869  3911.72  132.159  1242.64   21.128  1201.45   20.356 41.19238 29.33890 
1 1 1   -2   10    3 o  685.896   8.5874  1271.43   31.806  1300.26   46.016  1245.06   44.013  693.326   12.282  678.466   12.005 14.86011 17.17485 
1 1 1   -2   10    4 o  320.657   7.0446  277.918   12.206   0.0000   0.0000  277.918   12.206  ?   ?   320.657   7.0446      ?      ? 
1 1 1   -2   10    6 o  368.648   5.3926  366.998   10.734  377.145   15.550  357.759   14.837  373.509   7.7042  363.787   7.5474 9.721893 10.78511 
1 1 1   -2   10    8 o  452.699   6.1351  554.142   15.008  554.829   21.295  553.465   21.153  452.977   8.7000  452.421   8.6525 0.5552979 12.27013 
1 1 1   -2   10    9 o  618.198   11.068  1033.93   36.973   0.0000   0.0000  1033.93   36.973  ?   ?   618.198   11.068      ?      ? 
1 1 1   -2   10   10 o  199.237   4.5946  107.305   4.9446  107.123   7.0910  107.477   6.8985  199.071   6.5919  199.403   6.4023 -0.3314972 9.189270 
1 1 1   -2   10   11 o  588.519   10.657  937.003   33.892  937.003   33.892   0.0000   0.0000  588.519   10.657  ?   ?       ?      ? 
1 1 1   -2   10   12 o  104.523   5.9905   29.656   3.3689   27.952   4.9061   31.177   4.6342  101.665   8.9306  107.380   7.9867 -5.714882 11.98092 
1 1 1   -2   10   13 o  489.003   7.9708  646.768   19.805  647.973   34.493  646.176   24.190  489.214   13.048  488.792   9.1586 0.4218750 15.94152 
1 1 1   -2   10   14 o  1165.02   19.921  3703.83  125.411  3700.45  177.326  3707.21  177.390  1164.49   28.181  1165.56   28.165 -1.069214 39.84229 
1 1 1   -2   10   15 o  390.845   7.8262  413.314   16.521  415.991   23.768  410.811   22.981  392.061   11.219  389.630   10.915 2.431549 15.65247 
1 1 1   -2   10   16 f  879.519   15.208  2103.49   72.276  2102.70  102.351  2104.28  102.077  879.346   21.540  879.693   21.474 -0.3469238 30.41524 
1 1 1   -2   10   17 o  222.869   4.6510  134.220   5.5981  136.193   8.0744  132.394   7.7683  224.444   6.6576  221.294   6.4963 3.149750 9.301919 
1 1 1   -2   10   18 o  734.270   9.1192  1460.14   36.181  1465.48   51.438  1454.91   50.902  735.593   12.941  732.946   12.852 2.646851 18.23841 
1 1 1   -2   10   19 o  413.552   5.8081  461.275   12.960  440.236   17.747  485.316   18.971  403.478   8.1398  423.625   8.2872 -20.14771 11.61614 
1 1 1   -2   10   20 o  960.700   14.384  2496.26   69.917  2476.29   84.921  2538.29  123.187  955.659   16.445  965.741   23.606 -10.08142 28.76899 
1 1 1   -2   10   21 o  736.227   13.020  1470.34   51.789  1452.93   72.480  1488.51   74.027  731.787   18.329  740.666   18.496 -8.879028 26.03964 
1 1 1   -2   10   22 o  585.347   10.734  927.764   33.945  913.513   47.380  942.793   48.656  580.739   15.098  589.956   15.263 -9.217102 21.46867 
1 1 1   -2   10   23 o  404.280   8.3191  442.232   18.174  441.441   25.731  443.018   25.672  403.919   11.789  404.642   11.741 -0.7230225 16.63824 
1 1 1   -2   10   24 o  785.677   11.899  1680.49   47.868  1647.30   81.629  1697.88   59.095  779.376   19.382  791.979   13.808 -12.60278 23.79821 
1 1 1   -2   10   26 o  391.717   5.6828  414.417   12.023  400.161   16.719  429.688   17.303  384.746   8.0415  398.688   8.0318 -13.94241 11.36551 
1 1 1   -2   10   27 o  509.464   9.5627  701.768   26.326   0.0000   0.0000  701.768   26.326  ?   ?   509.464   9.5627      ?      ? 
1 1 1   -2   10   28 o  453.049   6.2601  554.830   15.320  558.333   21.983  551.521   21.363  454.436   8.9521  451.662   8.7531 2.773773 12.52025 
1 1 1   -2   10   29 o  121.960   6.3796   40.165   4.1815   40.700   6.2672   39.735   5.6137  122.687   9.4534  121.232   8.5692 1.454651 12.75923 
1 1 1   -2   10   30 f  323.039   5.3114  281.941   9.2673  286.731   13.349  277.484   12.876  325.685   7.5850  320.394   7.4372 5.291077 10.62282 
1 1 1   -2   10   31 o  935.988   11.416  2372.32   57.733  2349.57   80.969  2395.85   82.341  931.432   16.087  940.545   16.201 -9.112793 22.83150 
1 1 1   -2   10   32 o  806.776   9.9880  1761.52   43.532  1733.42   60.736  1791.20   62.427  800.172   14.047  813.380   14.203 -13.20856 19.97607 
1 1 1   -2   10   33 o  479.483   6.6283  621.116   17.163  603.059   23.753  640.840   24.826  472.203   9.3090  486.763   9.4383 -14.55978 13.25664 
1 1 1   -2   10   34 o  323.070   5.6098  282.116   9.7917  275.768   13.704  288.738   13.995  319.358   7.9412  326.783   7.9257 -7.424316 11.21962 
1 1 1   -2   10   35 f  210.742   5.9913  119.631   6.8022  125.900   10.104  114.436   9.1989  215.767   8.6663  205.717   8.2752 10.05037 11.98266 
1 1 1   -2   10   36 o  309.336   5.7055  258.825   9.5348  253.392   13.522  264.197   13.447  306.103   8.1749  312.569   7.9613 -6.466003 11.41104 
1 1 1   -2   10   37 o  473.965   6.7253  605.959   17.196  577.850   23.506  638.321   25.222  462.180   9.4120  485.749   9.6090 -23.56912 13.45059 
1 1 1   -2   10   38 o  144.118   8.0727   55.880   6.2406   66.271   9.2030   47.034   8.4909  156.456   10.886  131.781   11.924 24.67545 16.14537 
1 1 1   -2   10   39 o  512.477   8.8189  704.578   22.630  693.245   27.180  730.180   40.854  506.089   9.9389  518.865   14.571 -12.77551 17.63790 
1 1 1   -2   10   40 o   81.060   14.762   12.522   6.7681   35.518   12.791   3.5801   7.9762  112.196   21.884   49.924   19.817 62.27185 29.52327 
1 1 1   -2   10   41 o  510.501   8.7152  717.110   22.876  672.748   38.203  741.910   28.564  497.682   14.205  523.320   10.101 -25.63712 17.43049 
1 1 1   -2   10   42 f  500.651   6.9396  678.850   18.765  686.035   27.009  672.145   26.091  503.195   9.9330  498.108   9.6936 5.086975 13.87913 
1 1 1   -2   10   43 f  441.220   6.4530  526.482   15.371  502.324   21.219  553.158   22.298  430.590   9.1195  451.850   9.1322 -21.26047 12.90593 
1 1 1   -2   10   44 o  575.299   7.6414  898.012   23.749  877.974   33.156  919.125   34.034  568.716   10.789  581.882   10.824 -13.16663 15.28276 
1 1 1   -2   10   45 o  319.427   5.7170  275.507   9.8433  290.161   14.560  263.173   13.358  327.203   8.2350  311.650   7.9322 15.55273 11.43393 
1 1 1   -2   10   46 o  245.320   5.7331  163.598   7.5787  151.338   10.806  175.467   10.632  236.212   8.4660  254.428   7.7332 -18.21617 11.46626 
1 1 1   -2   10   47 o  691.859   12.523  1319.26   46.819  1315.54   66.254  1322.97   66.170  690.857   17.747  692.862   17.674 -2.005432 25.04659 
1 1 1   -2   10   48 f  373.279   8.1021  378.131   16.307  352.703   22.207  407.883   24.021  359.730   11.424  386.828   11.492 -27.09775 16.20427 
1 1 1   -2   10   49 o  246.978   6.7283  168.004   8.8180  178.439   11.654  154.031   13.486  256.253   8.4166  237.704   10.500 18.54842 13.45655 
1 1 1   -2   10   50 o  446.329   6.4826  542.281   15.624  547.813   22.559  537.180   21.661  448.461   9.3089  444.196   9.0245 4.265381 12.96520 
1 1 1   -2   10   51 o  490.354   6.8810  655.965   18.232  651.399   25.838  660.494   25.730  488.628   9.7856  492.080   9.6764 -3.452484 13.76190 
1 1 1   -2   10   52 o  321.796   5.7601  282.050   10.006  281.249   14.471  282.784   13.850  321.299   8.3348  322.294   7.9527 -0.9955750 11.52014 
1 1 1   -2   10   53 o   84.659   12.112   22.035   5.4277   11.209   8.0347   31.122   7.3612   63.189   20.543  106.130   12.836 -42.94017 24.22313 
1 1 1   -2   10   54 o   51.037   14.402   3.6002   5.6328   7.7590   10.110   1.7281   6.7832   59.181   22.642   42.894   17.804 16.28630 28.80374 
1 1 1   -2   10   55 o  163.567   10.874   73.807   9.6111   73.807   9.6111   0.0000   0.0000  163.567   10.874  ?   ?       ?      ? 
1 1 1   -2   10   56 o  245.243   13.152  167.928   17.429  167.928   17.429   0.0000   0.0000  245.243   13.152  ?   ?       ?      ? 
1 1 1   -2   10   57 o  314.934   8.8485  277.388   15.031  274.775   21.863  279.730   20.697  313.180   12.919  316.688   12.095 -3.508087 17.69709 
1 1 1   -2   10   58 o  188.472   6.5852   98.201   6.6760   94.680   9.8135  101.234   9.1085  185.112   9.8107  191.833   8.7869 -6.720825 13.17044 
1 1 1   -2   10   59 o   82.598   12.249   19.074   5.5252   33.204   8.7044   9.5386   7.1505  107.705   14.956   57.491   19.402 50.21424 24.49714 
1 1 1   -2   10   60 o   91.357   11.648   24.206   5.5906   28.404   8.6372   21.179   7.3343   98.789   16.180   83.925   16.759 14.86405 23.29530 
1 1 1   -2   10   61 o  186.973   6.7086   97.474   6.7421   90.034   9.7804  104.211   9.3066  179.833   10.065  194.114   8.8725 -14.28108 13.41719 
1 1 1   -2   10   62 o   77.644   13.478   19.591   5.6666   14.961   8.7962   22.876   7.4087   68.335   21.416   86.952   16.369 -18.61688 26.95535 
1 1 1   -2   10   63 o  131.622   8.8037   49.979   6.1949   47.066   9.2757   52.325   8.3232  127.494   13.464  135.750   11.347 -8.255791 17.60730 
1 1 1   -2   10   64 o   70.755   14.449   15.526   6.0357   23.949   9.3767   9.5679   7.8869   85.261   20.586   56.249   20.283 29.01265 28.89896 
1 1 1   -2   10   65 o  167.190   7.7779   78.758   6.9845   84.287   10.592   74.503   9.2907  172.055   11.393  162.325   10.592 9.730743 15.55570 
1 1 1   -2   10   66 o  253.199   6.5014  182.897   8.8399  184.269   13.264  181.802   11.857  253.298   9.6910  253.099   8.6693 0.1990662 13.00278 
1 1 1   -2   10   67 o  142.768   8.7671   58.844   6.6441   66.433   10.642   53.997   8.5052  149.392   13.183  136.144   11.561 13.24803 17.53421 
1 1 1   -2   11    2 o  516.679   6.8139  721.309   19.010  739.056   27.530  705.134   26.282  522.741   9.7461  510.616   9.5254 12.12570 13.62787 
1 1 1   -2   11    5 o  496.993   6.6524  667.975   17.865  671.169   25.433  664.865   25.098  498.164   9.4481  495.823   9.3677 2.340820 13.30489 
1 1 1   -2   11    7 o  481.993   6.4707  628.281   16.853  627.091   23.818  629.474   23.850  481.535   9.1534  482.450   9.1486 -0.9142151 12.94147 
1 1 1   -2   11    8 o  532.214   9.8610  766.167   28.359   0.0000   0.0000  766.167   28.359  ?   ?   532.214   9.8610      ?      ? 
1 1 1   -2   11    9 o  351.822   5.3152  334.675   10.104  331.903   14.327  337.418   14.253  350.371   7.5671  353.273   7.4661 -2.901886 10.63034 
1 1 1   -2   11   10 o  231.041   5.9919  147.299   6.9047  136.554   12.201  152.362   8.3748  224.675   10.050  237.408   6.5281 -12.73337 11.98388 
1 1 1   -2   11   11 f  589.787   10.731  942.422   34.194  949.549   48.870  935.586   47.861  591.960   15.278  587.614   15.073 4.345886 21.46189 
1 1 1   -2   11   12 o  129.834   7.8455   45.831   5.4667   43.514   8.0984   47.770   7.4096  126.791   11.820  132.877   10.319 -6.085686 15.69091 
1 1 1   -2   11   13 o  299.150   7.0300  242.005   11.349  244.144   16.514  240.090   15.623  300.393   10.173  297.907   9.7050 2.485657 14.06008 
1 1 1   -2   11   14 o  436.000   7.3762  507.117   16.257  494.321   19.646  534.910   28.953  427.514   8.5043  444.487   12.055 -16.97299 14.75247 
1 1 1   -2   11   15 o  760.599   9.4245  1566.91   38.730  1580.43   55.316  1553.91   54.244  763.805   13.402  757.392   13.254 6.413635 18.84901 
1 1 1   -2   11   16 o  497.034   13.288  669.144   35.689   0.0000   0.0000  669.144   35.689  ?   ?   497.034   13.288      ?      ? 
1 1 1   -2   11   17 o  275.592   9.8302  205.473   14.639   0.0000   0.0000  205.473   14.639  ?   ?   275.592   9.8302      ?      ? 
1 1 1   -2   11   18 o  261.576   6.9248  185.094   9.7871  181.712   13.803  188.514   13.879  259.171   9.8561  263.981   9.7297 -4.810333 13.84958 
1 1 1   -2   11   19 o  309.455   7.3217  258.935   12.239  252.928   17.054  265.315   17.576  305.757   10.322  313.152   10.387 -7.395233 14.64337 
1 1 1   -2   11   20 o  561.342   10.373  853.125   31.454  865.541   45.175  841.441   43.822  565.294   14.789  557.391   14.549 7.903015 20.74608 
1 1 1   -2   11   21 o  725.075   11.175  1410.56   40.659  1460.81   73.099  1388.05   48.926  733.994   18.430  716.157   12.643 17.83612 22.34990 
1 1 1   -2   11   22 o  1135.29   13.718  3495.05   84.137  3526.99  120.395  3464.55  117.630  1140.33   19.538  1130.25   19.260 10.07629 27.43529 
1 1 1   -2   11   23 o  205.221   6.7356  113.838   7.4694   0.0000   0.0000  113.838   7.4694  ?   ?   205.221   6.7356      ?      ? 
1 1 1   -2   11   25 o  318.314   7.2683  273.874   12.502   0.0000   0.0000  273.874   12.502  ?   ?   318.314   7.2683      ?      ? 
1 1 1   -2   11   26 o   97.294   7.8663   26.341   4.0057   21.864   6.1550   29.631   5.2758   89.900   12.670  104.687   9.3263 -14.78702 15.73255 
1 1 1   -2   11   27 o  440.723   6.1613  525.121   14.671  526.019   20.923  524.253   20.578  441.092   8.7784  440.355   8.6480 0.7366943 12.32267 
1 1 1   -2   11   28 o  121.207   6.7821   40.319   4.3659   35.745   6.5803   43.915   5.8352  114.964   10.592  127.451   8.4727 -12.48670 13.56422 
1 1 1   -2   11   29 o  246.120   5.1024  163.866   6.7730  161.532   9.8487  165.961   9.3292  244.452   7.4559  247.788   6.9675 -3.335892 10.20471 
1 1 1   -2   11   30 o  178.342   7.6132   85.981   7.3368   0.0000   0.0000   85.981   7.3368  ?   ?   178.342   7.6132      ?      ? 
1 1 1   -2   11   31 o  1647.66   19.729  7387.38  175.509  7224.52  242.437  7566.72  254.409  1628.76   27.546  1666.55   28.251 -37.78833 39.45705 
1 1 1   -2   11   32 o  444.354   6.3712  533.932   15.297  527.144   21.502  540.888   21.768  441.495   9.0127  447.213   9.0078 -5.718506 12.74244 
1 1 1   -2   11   33 o  1060.85   12.885  3051.90   73.849  3013.44  103.184  3092.30  105.739  1054.02   18.116  1067.68   18.328 -13.65405 25.77030 
1 1 1   -2   11   34 o  485.043   6.7911  635.594   17.788  614.215   24.625  658.922   25.723  476.526   9.5633  493.559   9.6447 -17.03290 13.58226 
1 1 1   -2   11   35 o  234.152   5.9899  148.271   7.5784  149.032   10.788  147.530   10.649  234.744   8.5044  233.560   8.4374 1.184128 11.97979 
1 1 1   -2   11   36 o  786.710   9.8378  1675.77   41.806  1644.06   58.167  1709.66   60.127  779.029   13.818  794.390   14.007 -15.36078 19.67555 
1 1 1   -2   11   37 o  184.646   6.8436   91.981   6.8050   95.521   10.122   89.062   9.1924  187.869   9.9708  181.423   9.3766 6.445267 13.68712 
1 1 1   -2   11   38 o  455.140   8.3668  559.904   19.167  557.811   23.193  564.414   34.042  454.009   9.4539  456.272   13.807 -2.263092 16.73356 
1 1 1   -2   11   39 o  659.416   8.5153  1178.27   30.340  1163.97   42.599  1193.00   43.222  655.357   12.029  663.475   12.056 -8.118225 17.03062 
1 1 1   -2   11   40 o  483.223   8.4678  636.594   20.756  623.423   36.051  643.123   25.384  479.148   13.924  487.297   9.6402 -8.148560 16.93551 
1 1 1   -2   11   41 o  729.146   9.2552  1442.09   36.446  1407.04   50.528  1480.10   52.620  719.945   12.988  738.347   13.189 -18.40155 18.51048 
1 1 1   -2   11   42 o  675.914   8.6857  1240.13   31.721  1223.88   44.465  1256.97   45.264  671.413   12.256  680.415   12.311 -9.001465 17.37148 
1 1 1   -2   11   43 o  777.614   9.7937  1642.30   41.087  1583.13   56.204  1710.20   60.214  762.695   13.637  792.533   14.060 -29.83783 19.58748 
1 1 1   -2   11   44 o  553.179   7.4620  830.813   22.304  817.709   31.385  844.183   31.702  548.765   10.584  557.594   10.522 -8.829102 14.92397 
1 1 1   -2   11   45 o  146.458   7.8183   57.129   6.1223   67.518   9.5194   49.801   7.9952  157.570   11.180  135.346   10.932 22.22383 15.63659 
1 1 1   -2   11   46 o  464.570   9.2084  588.843   23.107  569.369   32.137  609.685   33.246  456.625   13.025  472.516   13.021 -15.89105 18.41690 
1 1 1   -2   11   47 f  316.336   7.7483  272.580   13.240  266.667   18.817  278.378   18.634  312.899   11.129  319.774   10.784 -6.875702 15.49657 
1 1 1   -2   11   48 o  290.752   6.7001  231.682   10.272  238.200   13.263  221.914   16.237  296.135   8.2882  285.369   10.529 10.76572 13.40011 
1 1 1   -2   11   49 o  243.054   5.8871  160.495   7.7042  162.134   11.415  159.125   10.441  244.131   8.6532  241.978   7.9847 2.153275 11.77426 
1 1 1   -2   11   50 o  140.892   7.6218   54.177   5.7888   55.316   8.5228   53.202   7.8873  142.217   11.090  139.567   10.458 2.649612 15.24363 
1 1 1   -2   11   51 o   54.588   12.801   4.4582   5.2000   15.703   8.0198  -3.6989   6.8304   73.365   19.779   35.810   16.255 37.55436 25.60178 
1 1 1   -2   11   52 o  143.671   7.5340   56.469   5.8367   58.828   8.5963   54.452   7.9501  146.403   10.866  140.938   10.439 5.465210 15.06795 
1 1 1   -2   11   53 o  286.867   5.7275  224.639   8.8712  216.622   12.631  232.442   12.462  281.746   8.2965  291.988   7.8983 -10.24237 11.45497 
1 1 1   -2   11   54 o   95.651   12.768   22.987   6.0632   37.568   11.446   17.301   7.1484  114.671   18.472   76.630   17.630 38.04101 25.53526 
1 1 1   -2   11   55 o  121.394   19.600   42.680   12.857   0.0000   0.0000   42.680   12.857  ?   ?   121.394   19.600      ?      ? 
1 1 1   -2   11   56 o  291.382   12.949  237.613   20.388  237.613   20.388   0.0000   0.0000  291.382   12.949  ?   ?       ?      ? 
1 1 1   -2   11   57 o   68.208   16.023   10.180   6.5314   23.829   12.657   5.2257   7.6251   86.392   25.415   50.024   19.522 36.36821 32.04678 
1 1 1   -2   11   58 o   39.549   12.342  -5.4495   5.5394   4.6266   8.4720 -12.9741   7.3211   50.288   20.266   28.810   14.093 21.47886 24.68461 
1 1 1   -2   11   59 o  113.880   9.6715   36.454   5.8948   40.075   9.1232   33.859   7.7235  118.429   14.256  109.331   13.073 9.097511 19.34293 
1 1 1   -2   11   60 o   84.036   12.859   21.162   5.6648   26.928   8.6076   16.758   7.5239   94.466   17.507   73.606   18.838 20.86021 25.71704 
1 1 1   -2   11   61 o   95.570   11.362   26.622   5.7033   31.148   8.7701   23.305   7.5075  103.209   15.725   87.931   16.404 15.27792 22.72375 
1 1 1   -2   11   62 o  113.759   10.125   37.045   6.1725   41.378   9.5070   33.888   8.1156  119.191   14.761  108.327   13.864 10.86365 20.25094 
1 1 1   -2   11   63 o  234.517   6.4511  153.585   8.1376  159.966   12.196  148.465   10.925  238.572   9.4608  230.462   8.7726 8.110138 12.90213 
1 1 1   -2   11   64 o  195.052   7.2171  107.655   7.5636  101.063   11.065  113.436   10.362  188.912   10.840  201.193   9.5313 -12.28113 14.43416 
1 1 1   -2   11   65 o   91.936   13.532   27.443   6.4279   30.387   10.037   25.396   8.3694   95.295   20.123   88.577   18.097 6.717590 27.06363 
1 1 1   -2   11   66 o   82.234   14.090   22.748   6.2415   29.782   9.4921   17.390   8.2842   94.116   19.312   70.352   20.523 23.76361 28.18033 
1 1 1   -2   11   67 o   53.663   14.694   9.6544   6.1697   7.0769   9.4533   11.567   8.1432   50.288   20.958   57.037   20.603 -6.749516 29.38895 
1 1 1   -2   12    1 o  994.690   12.089  2682.27   64.973  2659.39   91.126  2705.93   92.665  990.390   17.027  998.989   17.166 -8.599060 24.17840 
1 1 1   -2   12    4 o  412.518   5.8829  459.242   13.095  477.104   19.143  443.530   17.954  420.038   8.4338  404.998   8.2038 15.03961 11.76571 
1 1 1   -2   12    5 o  526.075   6.9591  748.640   19.783  747.162   27.965  750.121   27.989  525.555   9.8472  526.595   9.8361 -1.040100 13.91820 
1 1 1   -2   12    6 o  106.170   11.180   37.931   4.8026   20.286   9.4822   44.019   5.5699   84.750   20.849  127.589   8.0788 -42.83903 22.35920 
1 1 1   -2   12    7 o  138.436   9.0103   51.577   6.6890   54.302   10.209   49.527   8.8545  141.607   13.341  135.265   12.114 6.342163 18.02053 
1 1 1   -2   12    8 o  501.311   9.5727  680.613   25.931  676.126   36.602  685.135   36.744  499.650   13.556  502.971   13.519 -3.321045 19.14544 
1 1 1   -2   12    9 o   50.365   13.952   4.0677   5.4900   2.8266   8.5737   4.9302   7.1475   50.237   20.337   50.494   19.105 -0.2568092 27.90336 
1 1 1   -2   12   10 o  663.826   11.954  1189.15   42.716  1129.05   57.438  1263.51   63.895  645.224   16.474  682.427   17.327 -37.20337 23.90864 
1 1 1   -2   12   11 o  452.492   8.8544  553.827   21.650  553.827   21.650   0.0000   0.0000  452.492   8.8544  ?   ?       ?      ? 
1 1 1   -2   12   12 o  296.757   9.9981  238.288   16.033   0.0000   0.0000  238.288   16.033  ?   ?   296.757   9.9981      ?      ? 
1 1 1   -2   12   13 o  306.846   7.0751  254.389   11.722  245.495   16.190  264.189   16.994  301.219   9.9463  312.472   10.065 -11.25272 14.15024 
1 1 1   -2   12   14 o  316.153   7.2857  269.944   12.435  257.432   17.159  283.784   18.046  308.452   10.295  323.854   10.312 -15.40158 14.57141 
1 1 1   -2   12   15 o  354.628   7.6567  340.297   14.672  338.063   20.667  342.568   20.833  353.455   10.821  355.801   10.836 -2.346252 15.31332 
1 1 1   -2   12   16 o  607.264   11.066  999.433   36.309  1007.21   51.745  991.892   50.961  609.583   15.709  604.945   15.589 4.637634 22.13143 
1 1 1   -2   12   17 o  248.009   7.0308  165.778   9.4049  177.725   13.804  155.428   12.848  256.317   9.9664  239.701   9.9196 16.61597 14.06159 
1 1 1   -2   12   18 o  650.558   10.338  1093.14   32.363  1263.51   64.067  1034.77   37.499  682.693   17.367  618.424   11.221 64.26910 20.67654 
1 1 1   -2   12   19 o  720.808   9.0231  1405.91   35.138  1418.78   50.292  1393.64   49.114  724.021   12.855  717.595   12.666 6.425598 18.04616 
1 1 1   -2   12   20 o  883.003   15.314  2111.66   73.071   0.0000   0.0000  2111.66   73.071  ?   ?   883.003   15.314      ?      ? 
1 1 1   -2   12   21 o   98.272   7.4717   26.066   3.9612   27.042   5.8057   25.215   5.4183   99.989   10.745   96.555   10.385 3.434555 14.94338 
1 1 1   -2   12   22 o  305.840   7.4740  252.848   12.352  252.848   12.352   0.0000   0.0000  305.840   7.4740  ?   ?       ?      ? 
1 1 1   -2   12   23 o  781.537   9.6906  1652.65   40.923  1640.04   57.543  1665.56   58.211  778.523   13.678  784.552   13.731 -6.029175 19.38117 
1 1 1   -2   12   24 o  780.679   9.6800  1648.98   40.835  1638.11   57.524  1660.03   57.977  778.085   13.681  783.272   13.698 -5.186768 19.36007 
1 1 1   -2   12   26 f  237.857   5.0982  152.806   6.5405  154.855   9.5749  151.014   8.9554  239.348   7.4032  236.367   7.0115 2.981522 10.19647 
1 1 1   -2   12   27 o  185.305   5.5739   93.111   5.5599   88.863   8.1121   96.874   7.6354  181.301   8.2803  189.308   7.4641 -8.006851 11.14789 
1 1 1   -2   12   28 o  638.735   8.1988  1103.63   28.297  1102.86   40.198  1104.39   39.840  638.511   11.650  638.959   11.539 -0.4485474 16.39752 
1 1 1   -2   12   29 o  1130.69   13.682  3465.01   83.568  3405.51  116.334  3528.45  120.121  1120.70   19.210  1140.69   19.488 -19.98999 27.36439 
1 1 1   -2   12   30 o  951.911   11.654  2451.91   59.884  2382.06   82.417  2530.03   87.159  937.607   16.267  966.215   16.694 -28.60785 23.30870 
1 1 1   -2   12   31 o  193.874   5.9254  101.580   6.1988  102.750   9.0326  100.538   8.5225  194.925   8.5754  192.824   8.1794 2.101715 11.85074 
1 1 1   -2   12   32 o  445.420   6.4346  536.099   15.481  518.712   21.526  554.725   22.279  437.946   9.0961  452.894   9.1037 -14.94742 12.86920 
1 1 1   -2   12   33 o  398.713   6.1763  429.790   13.304  417.961   18.642  442.069   18.992  393.122   8.7757  404.304   8.6933 -11.18250 12.35258 
1 1 1   -2   12   34 o  264.724   5.9107  189.731   8.4449  183.992   12.126  195.135   11.768  260.825   8.6037  268.622   8.1070 -7.796967 11.82149 
1 1 1   -2   12   35 f  423.362   8.9281  484.807   20.425   0.0000   0.0000  484.807   20.425  ?   ?   423.362   8.9281      ?      ? 
1 1 1   -2   12   36 o  348.592   6.0122  328.776   11.323  326.008   16.142  331.457   15.887  347.142   8.6050  350.042   8.3989 -2.899902 12.02447 
1 1 1   -2   12   37 o  160.706   17.838   70.180   15.490   0.0000   0.0000   70.180   15.490  ?   ?   160.706   17.838      ?      ? 
1 1 1   -2   12   38 o  647.849   8.4374  1133.95   29.475  1086.74   40.125  1189.28   43.439  633.282   11.725  662.416   12.136 -29.13336 16.87485 
1 1 1   -2   12   39 o  902.604   13.720  2235.36   63.445  2182.21  107.864  2263.48   78.450  892.919   22.355  912.288   15.914 -19.36914 27.44091 
1 1 1   -2   12   40 o  529.067   7.2500  758.167   20.722  737.921   28.975  779.363   29.648  521.837   10.276  536.297   10.230 -14.46014 14.49996 
1 1 1   -2   12   41 o  990.285   12.180  2672.91   65.146  2619.14   90.405  2730.98   93.958  980.016   17.071  1000.55   17.378 -20.53802 24.36056 
1 1 1   -2   12   42 o  190.713   6.6229   98.712   6.8006   97.266   10.013   99.951   9.2655  189.385   9.7841  192.040   8.9287 -2.655106 13.24576 
1 1 1   -2   12   43 o  149.939   7.7508   59.234   6.1699   77.433   9.6458   46.632   8.0267  168.874   10.570  131.003   11.339 37.87190 15.50161 
1 1 1   -2   12   44 o  340.911   7.1865  321.980   12.797  288.513   20.318  343.982   16.474  325.675   11.546  356.147   8.5603 -30.47226 14.37290 
1 1 1   -2   12   45 f  301.719   7.7627  248.243   12.629  231.081   17.943  265.090   17.778  291.279   11.400  312.159   10.539 -20.88022 15.52532 
1 1 1   -2   12   46 o  126.741   11.091   45.678   7.3163   35.023   10.995   54.144   9.8009  112.672   18.059  140.809   12.881 -28.13713 22.18238 
1 1 1   -2   12   47 o  488.849   6.8994  650.302   18.224  647.800   25.889  652.761   25.658  487.894   9.8197  489.803   9.6943 -1.909332 13.79874 
1 1 1   -2   12   48 o  167.968   6.9122   76.540   6.2565   81.413   9.2797   72.480   8.4714  172.824   9.9367  163.113   9.6112 9.710510 13.82437 
1 1 1   -2   12   49 o  289.277   5.7856  227.727   9.0353  223.415   12.987  231.771   12.578  286.574   8.3866  291.980   7.9722 -5.406677 11.57118 
1 1 1   -2   12   50 f  248.726   6.0483  169.404   8.0798  150.703   11.565  187.235   11.293  235.112   9.1031  262.340   7.9662 -27.22755 12.09657 
1 1 1   -2   12   51 o   63.561   13.164   11.649   5.2232   4.8509   7.8883   16.957   6.9700   50.800   19.847   76.322   17.300 -25.52180 26.32858 
1 1 1   -2   12   52 o  204.911   6.2029  114.617   6.8542  115.835   10.042  113.555   9.3783  205.864   9.0274  203.959   8.5093 1.905655 12.40572 
1 1 1   -2   12   53 o  317.863   5.8888  275.520   10.096  283.955   14.817  268.210   13.794  322.320   8.5071  313.406   8.1451 8.913605 11.77769 
1 1 1   -2   12   54 o  111.114   14.965   36.036   8.7538   44.752   13.247   29.279   11.663  124.307   19.721   97.922   22.513 26.38486 29.92909 
1 1 1   -2   12   55 o  170.215   15.126   81.937   13.913   0.0000   0.0000   81.937   13.913  ?   ?   170.215   15.126      ?      ? 
1 1 1   -2   12   56 f   76.570   17.987   15.421   9.3172   29.414   14.399   5.3423   12.220   95.208   26.835   57.931   23.959 37.27638 35.97454 
1 1 1   -2   12   57 o   88.791   14.080   24.146   6.5682   24.372   8.8857   23.874   9.7524   89.711   18.925   87.870   20.852 1.840515 28.15987 
1 1 1   -2   12   58 o   56.813   13.541   8.1956   5.7684  -1.6869   8.8303   15.552   7.6187   42.571   18.970   71.055   19.329 -28.48396 27.08296 
1 1 1   -2   12   59 o  134.199   8.8771   50.589   6.3880   53.826   9.7614   48.164   8.4483  137.646   13.124  130.751   11.957 6.895599 17.75425 
1 1 1   -2   12   60 o  118.197   9.6059   39.126   6.0728   47.402   9.3309   33.045   7.9986  128.918   13.394  107.476   13.773 21.44217 19.21186 
1 1 1   -2   12   61 o  119.525   9.8498   41.560   6.2849   38.389   9.3906   44.132   8.4587  114.660   15.156  124.390   12.584 -9.729614 19.69967 
1 1 1   -2   12   62 o  107.875   11.052   35.498   6.1340   31.169   9.2728   38.866   8.1793   99.930   17.826  115.820   13.069 -15.88960 22.10355 
1 1 1   -2   12   63 o  108.934   10.966   35.698   6.3541   31.895   9.4625   38.820   8.5751  102.521   17.081  115.347   13.758 -12.82594 21.93223 
1 1 1   -2   12   64 o   91.836   13.600   28.672   6.6385   17.310   10.096   37.327   8.8113   71.147   23.019  112.525   14.491 -41.37773 27.20061 
1 1 1   -2   12   65 o   52.671   13.283   2.8591   6.0168   20.689   9.3964  -9.5324   7.8334   74.347   21.905   30.995   15.031 43.35191 26.56625 
1 1 1   -2   12   66 o  192.376   7.1932  105.635   7.4272  112.026   11.290  100.759   9.8619  196.974   10.607  187.777   9.7192 9.197433 14.38630 
1 1 1   -2   13    7 o  763.705   19.011  1584.23   78.453  1584.23   78.453   0.0000   0.0000  763.705   19.011  ?   ?       ?      ? 
1 1 1   -2   13    8 o  268.140   6.9488  193.962   10.053  206.261   14.700  183.153   13.780  276.102   9.8526  260.178   9.8016 15.92368 13.89762 
1 1 1   -2   13    9 o  272.965   6.9844  201.545   10.301  205.023   14.709  198.198   14.430  275.274   9.8887  270.655   9.8662 4.619263 13.96884 
1 1 1   -2   13   10 o  388.781   8.0274  409.038   16.861  405.631   23.564  412.613   24.136  387.128   11.264  390.435   11.440 -3.306702 16.05475 
1 1 1   -2   13   11 f  158.810   7.5607   68.253   6.4860   70.563   9.1985   65.968   9.1469  161.486   10.541  156.133   10.842 5.352661 15.12142 
1 1 1   -2   13   12 o  386.128   8.0183  403.026   16.718  391.441   23.100  415.766   24.224  380.315   11.240  391.942   11.438 -11.62683 16.03656 
1 1 1   -2   13   13 o  435.841   7.4987  517.370   16.755  503.153   28.443  524.926   20.735  431.121   12.209  440.560   8.7098 -9.439148 14.99739 
1 1 1   -2   13   14 o  944.178   14.117  2428.39   68.224  2396.40  116.597  2445.05   84.129  938.667   22.987  949.690   16.394 -11.02295 28.23412 
1 1 1   -2   13   15 o  144.943   7.9807   56.803   6.2506   0.0000   0.0000   56.803   6.2506  ?   ?   144.943   7.9807      ?      ? 
1 1 1   -2   13   17 o  244.374   5.1218  161.532   6.7576  158.798   9.7108  164.099   9.4098  242.365   7.4148  246.383   7.0677 -4.017899 10.24362 
1 1 1   -2   13   18 o  445.554   6.2462  536.457   15.034  522.740   20.951  551.016   21.585  439.687   8.8181  451.421   8.8488 -11.73386 12.49238 
1 1 1   -2   13   19 o  489.003   6.6779  646.456   17.640  652.691   25.319  640.575   24.590  491.289   9.5371  486.716   9.3498 4.572998 13.35570 
1 1 1   -2   13   20 o  742.567   9.2909  1491.95   37.279  1480.27   52.444  1503.88   53.001  739.631   13.122  745.504   13.157 -5.873047 18.58181 
1 1 1   -2   13   21 o  429.229   6.1416  498.013   14.241  501.036   20.395  495.137   19.895  430.498   8.7672  427.961   8.6030 2.536896 12.28312 
1 1 1   -2   13   22 o  855.990   10.531  1983.07   48.712  1985.74   69.094  1980.43   68.688  856.560   14.928  855.420   14.860 1.139404 21.06293 
1 1 1   -2   13   23 o  830.650   10.247  1867.14   45.989  1848.32   64.525  1886.58   65.564  826.400   14.449  834.901   14.533 -8.501404 20.49345 
1 1 1   -2   13   24 o  252.738   5.2125  172.580   7.1098  174.290   10.339  171.046   9.7926  253.922   7.5353  251.553   7.2041 2.369019 10.42494 
1 1 1   -2   13   25 o  256.194   5.2733  177.536   7.2935  174.352   10.487  180.518   10.151  253.965   7.6415  258.423   7.2691 -4.457947 10.54664 
1 1 1   -2   13   26 o  558.656   10.361  844.034   31.278   0.0000   0.0000  844.034   31.278  ?   ?   558.656   10.361      ?      ? 
1 1 1   -2   13   27 o  479.004   6.6567  620.128   17.226  606.278   24.039  634.747   24.696  473.510   9.3949  484.498   9.4330 -10.98801 13.31331 
1 1 1   -2   13   28 o  516.064   7.0296  720.168   19.601  707.573   27.532  733.114   27.913  511.488   9.9613  520.640   9.9215 -9.151642 14.05928 
1 1 1   -2   13   29 o  433.797   6.3297  508.945   14.836  503.249   21.028  514.591   20.936  431.377   9.0208  436.218   8.8818 -4.840240 12.65942 
1 1 1   -2   13   30 f  784.503   9.8056  1665.09   41.540  1623.95   57.486  1710.05   60.094  774.389   13.738  794.617   13.995 -20.22815 19.61111 
1 1 1   -2   13   31 o  473.066   6.7130  605.293   17.160  596.561   24.217  614.098   24.317  469.637   9.5429  476.496   9.4443 -6.858246 13.42610 
1 1 1   -2   13   32 o  528.744   7.2685  756.055   20.762  738.132   29.000  774.902   29.739  522.318   10.275  535.169   10.284 -12.85077 14.53694 
1 1 1   -2   13   33 o  697.989   8.9352  1317.43   33.673  1277.61   46.480  1361.42   48.850  686.917   12.522  709.062   12.750 -22.14478 17.87032 
1 1 1   -2   13   34 o  631.330   8.2689  1078.88   28.204  1087.22   40.330  1070.89   39.458  633.710   11.777  628.950   11.610 4.760254 16.53778 
1 1 1   -2   13   35 o  558.120   7.5478  842.607   22.753  819.170   31.603  867.829   32.785  550.074   10.632  566.166   10.716 -16.09265 15.09561 
1 1 1   -2   13   36 o  332.499   7.9027  299.580   13.088  299.892   15.718  298.874   23.634  332.929   8.7368  332.069   13.171 0.8598938 15.80550 
1 1 1   -2   13   37 o  556.243   9.3842  831.621   26.215  818.873   31.574  859.910   47.035  549.835   10.627  562.651   15.470 -12.81659 18.76831 
1 1 1   -2   13   38 o  374.423   7.7423  378.096   14.374  384.685   26.289  375.287   17.168  376.508   12.922  372.339   8.5328 4.169342 15.48468 
1 1 1   -2   13   39 o  369.985   6.1885  370.876   12.364  362.390   17.676  379.006   17.302  365.821   8.9418  374.149   8.5576 -8.327850 12.37690 
1 1 1   -2   13   40 o  291.029   5.9542  229.040   9.3379  233.597   13.785  225.176   12.694  293.679   8.6866  288.379   8.1459 5.299561 11.90849 
1 1 1   -2   13   41 o  102.318   11.267   29.767   5.9046   23.597   8.7377   34.952   8.0104   91.275   18.352  113.360   13.077 -22.08555 22.53442 
1 1 1   -2   13   42 o  576.586   9.3709  918.124   28.070  855.856   45.703  955.841   35.570  559.998   15.103  593.174   11.097 -33.17523 18.74173 
1 1 1   -2   13   43 o  309.530   7.9988  259.661   13.254  266.892   20.290  254.279   17.505  313.152   11.991  305.908   10.590 7.244324 15.99757 
1 1 1   -2   13   44 o   90.506   14.754   22.568   7.0061   30.270   11.186   17.597   8.9871  102.729   20.863   78.283   20.866 24.44588 29.50735 
1 1 1   -2   13   45 f  115.987   10.282   36.421   6.3783   29.822   8.5748   44.595   9.5433  104.285   15.216  127.688   13.831 -23.40349 20.56310 
1 1 1   -2   13   46 o  483.615   6.9112  636.154   18.049  642.551   26.059  630.255   25.023  485.898   9.9249  481.332   9.6206 4.566315 13.82245 
1 1 1   -2   13   47 o  251.919   5.9450  171.891   8.0704  180.990   11.965  164.295   10.932  257.980   8.5828  245.858   8.2284 12.12184 11.88995 
1 1 1   -2   13   48 o  369.692   6.0860  372.106   12.152  363.721   17.331  380.213   17.042  365.542   8.7741  373.842   8.4364 -8.300354 12.17201 
1 1 1   -2   13   49 o   96.052   11.792   27.318   5.7293   19.997   8.7157   32.889   7.6027   82.739   19.765  109.365   12.865 -26.62627 23.58304 
1 1 1   -2   13   50 o  332.709   6.0020  302.119   10.776  295.466   15.540  308.282   14.957  329.086   8.7387  336.332   8.2300 -7.245697 12.00406 
1 1 1   -2   13   51 o   61.906   12.440   7.8985   5.3474   21.485   8.1654  -2.3040   7.0758   85.729   18.189   38.083   16.975 47.64597 24.87969 
1 1 1   -2   13   52 o  117.337   9.0547   37.153   5.6274   49.421   8.6950   28.311   7.3820  133.744   12.031  100.931   13.535 32.81250 18.10935 
1 1 1   -2   13   53 o  105.940   14.502   35.729   7.5763   41.195   9.4021   25.608   12.794  121.222   14.353   90.658   25.205 30.56410 29.00496 
1 1 1   -2   13   54 o   90.156   17.073   25.140   8.8984   35.338   12.737   15.417   12.437  107.439   22.652   72.872   25.551 34.56693 34.14637 
1 1 1   -2   13   55 f   94.385   17.349   29.010   9.4925   16.525   13.974   39.707   12.935   74.818   26.995  113.951   21.801 -39.13276 34.69894 
1 1 1   -2   13   56 o  268.207   7.4660  199.254   9.8725  200.158   18.118  198.872   11.774  267.205   12.548  269.208   8.0937 -2.003052 14.93197 
1 1 1   -2   13   57 o   65.893   14.007   11.215   6.3110   0.8135   8.6181   23.243   9.2673   45.106   19.447   86.681   20.165 -41.57521 28.01454 
1 1 1   -2   13   58 o  186.527   7.9714   98.672   7.9156  106.666   10.634   88.739   11.854  195.792   10.051  177.261   12.375 18.53113 15.94280 
1 1 1   -2   13   59 o   90.395   12.844   23.843   6.1302   33.096   9.5132   17.273   8.0165  106.394   16.547   74.395   19.649 31.99887 25.68842 
1 1 1   -2   13   60 o  224.182   6.6469  140.277   7.9678  137.664   12.103  142.275   10.585  221.820   10.097  226.543   8.6468 -4.723160 13.29375 
1 1 1   -2   13   61 o   57.129   15.063   9.3736   6.2142   9.4081   9.2882   9.3457   8.3613   57.565   21.779   56.694   20.816 0.8706589 30.12681 
1 1 1   -2   13   62 o  120.199   10.061   42.294   6.4830   44.206   9.8805   40.849   8.5909  122.038   14.983  118.360   13.432 3.677879 20.12234 
1 1 1   -2   13   63 o   94.621   20.558   29.072   10.211   29.072   10.211   0.0000   0.0000   94.621   20.558  ?   ?       ?      ? 
1 1 1   -2   13   64 o  107.226   11.607   36.430   6.6859   35.697   9.8931   37.046   9.0710  105.271   17.391  109.182   15.375 -3.910805 23.21322 
1 1 1   -2   13   65 o   53.743   14.778   8.7911   6.1556   7.9992   9.3619   9.3942   8.1699   53.005   21.324   54.480   20.467 -1.474487 29.55660 
1 1 1   -2   13   66 o  149.221   9.1253   69.337   7.0721   56.737   10.813   78.755   9.3488  134.316   14.899  164.126   10.541 -29.81068 18.25055 
1 1 1   -2   14    1 o  289.823   9.8414  227.252   15.413  227.252   15.413   0.0000   0.0000  289.823   9.8414  ?   ?       ?      ? 
1 1 1   -2   14    3 o  309.773   7.4942  259.467   12.545   0.0000   0.0000  259.467   12.545  ?   ?   309.773   7.4942      ?      ? 
1 1 1   -2   14    4 o  625.722   8.0796  1059.71   27.318  1060.64   38.788  1058.80   38.480  625.990   11.467  625.454   11.385 0.5362549 16.15914 
1 1 1   -2   14    5 o  441.355   6.2829  526.612   14.978  535.169   21.551  518.616   20.832  444.817   8.9658  437.892   8.8041 6.924591 12.56575 
1 1 1   -2   14    6 f  237.283   5.2044  152.267   6.6692  145.846   9.4079  158.753   9.4555  232.250   7.4964  242.316   7.2213 -10.06589 10.40877 
1 1 1   -2   14    7 o  627.111   8.0733  1063.84   27.346  1081.31   39.371  1047.56   38.012  632.071   11.527  622.152   11.307 9.919678 16.14661 
1 1 1   -2   14   10 o   68.632   11.590   13.464   4.2639   10.830   6.2896   15.704   5.8003   62.436   17.784   74.827   14.869 -12.39109 23.18069 
1 1 1   -2   14   11 o  778.816   9.7017  1642.37   40.827  1628.73   57.399  1656.33   58.084  775.547   13.697  782.086   13.744 -6.538574 19.40345 
1 1 1   -2   14   12 o  207.401   5.3966  115.806   6.0252  121.686   8.9986  111.027   8.1120  212.149   7.8496  202.653   7.4078 9.496170 10.79313 
1 1 1   -2   14   13 o  202.956   7.8182  111.364   8.5742  111.364   8.5742   0.0000   0.0000  202.956   7.8182  ?   ?       ?      ? 
1 1 1   -2   14   14 o  451.382   8.9481  550.944   21.826   0.0000   0.0000  550.944   21.826  ?   ?   451.382   8.9481      ?      ? 
1 1 1   -2   14   15 o  314.962   5.3834  268.029   9.1565  272.251   13.228  264.146   12.688  317.340   7.7139  312.585   7.5114 4.754547 10.76688 
1 1 1   -2   14   16 o  248.394   5.2793  166.856   7.0833  162.663   10.063  170.972   9.9718  245.298   7.5921  251.490   7.3378 -6.191986 10.55855 
1 1 1   -2   14   17 o  444.547   6.3126  534.280   15.163  526.076   21.342  542.642   21.547  441.101   8.9539  447.994   8.9008 -6.892975 12.62525 
1 1 1   -2   14   19 o  1341.30   16.110  4880.59  116.760  4861.19  164.550  4900.27  165.703  1338.62   22.748  1343.98   22.817 -5.354004 32.21935 
1 1 1   -2   14   20 o  1012.32   12.312  2775.30   67.348  2765.38   95.001  2785.31   95.489  1010.50   17.398  1014.14   17.425 -3.631592 24.62356 
1 1 1   -2   14   21 o  317.408   5.4357  272.377   9.3208  270.331   13.305  274.349   13.062  316.236   7.7858  318.581   7.5875 -2.345428 10.87147 
1 1 1   -2   14   22 o  310.845   7.7640  261.199   13.041  261.199   13.041   0.0000   0.0000  310.845   7.7640  ?   ?       ?      ? 
1 1 1   -2   14   24 o  443.505   6.3444  531.556   15.200  514.808   21.249  549.109   21.753  436.352   9.0116  450.658   8.9328 -14.30515 12.68878 
1 1 1   -2   14   25 o  643.114   11.703  1118.86   40.669   0.0000   0.0000  1118.86   40.669  ?   ?   643.114   11.703      ?      ? 
1 1 1   -2   14   26 o  588.419   10.911  936.585   34.694   0.0000   0.0000  936.585   34.694  ?   ?   588.419   10.911      ?      ? 
1 1 1   -2   14   27 o   93.612   11.176   24.370   5.4601   22.056   8.0931   26.303   7.3973   88.664   17.513   98.561   13.889 -9.897186 22.35245 
1 1 1   -2   14   28 o  224.714   6.0820  136.622   7.3755  135.162   10.677  137.955   10.200  223.559   8.8384  225.868   8.3575 -2.309189 12.16405 
1 1 1   -2   14   29 f  746.127   13.281  1507.28   53.547   0.0000   0.0000  1507.28   53.547  ?   ?   746.127   13.281      ?      ? 
1 1 1   -2   14   30 o  125.531   9.0789   42.524   6.1449   44.702   9.0638   40.671   8.3594  128.492   13.054  122.570   12.621 5.921295 18.15779 
1 1 1   -2   14   31 o  201.808   6.6661  109.924   7.2612  116.148   10.564  104.351   9.9970  207.210   9.4350  196.406   9.4195 10.80418 13.33214 
1 1 1   -2   14   32 o  246.894   6.2840  164.789   8.3810  168.158   12.039  161.621   11.675  249.340   8.9353  244.448   8.8383 4.891937 12.56799 
1 1 1   -2   14   33 o  364.432   6.2248  359.113   12.255  347.955   17.140  370.782   17.528  358.642   8.8445  370.223   8.7616 -11.58154 12.44956 
1 1 1   -2   14   34 o  819.400   10.252  1819.97   45.378  1784.91   63.145  1857.42   65.254  811.263   14.404  827.537   14.593 -16.27435 20.50433 
1 1 1   -2   14   35 o  429.234   8.3129  480.284   17.501  456.240   20.543  543.919   33.420  410.596   9.2590  447.873   13.809 -37.27649 16.62576 
1 1 1   -2   14   36 o  289.772   7.9510  230.060   11.396  233.922   13.669  221.261   20.635  293.983   8.6048  285.560   13.373 8.422943 15.90194 
1 1 1   -2   14   37 o  624.038   10.146  1051.83   31.823  1074.55   56.838  1041.45   38.408  628.305   16.741  619.771   11.468 8.533691 20.29226 
1 1 1   -2   14   38 o  536.089   9.1093  780.772   24.667  778.604   43.388  781.807   29.985  535.082   15.006  537.096   10.331 -2.014160 18.21859 
1 1 1   -2   14   39 o  484.764   6.9170  636.981   18.118  626.560   25.589  647.456   25.656  480.778   9.8497  488.751   9.7142 -7.973236 13.83406 
1 1 1   -2   14   40 o  329.801   5.9941  294.904   10.675  286.293   15.208  303.268   14.989  325.031   8.6590  334.570   8.2908 -9.539063 11.98811 
1 1 1   -2   14   41 o  315.466   8.0384  268.478   13.558  283.559   20.976  257.658   17.768  322.911   12.021  308.021   10.675 14.89020 16.07688 
1 1 1   -2   14   42 o  251.916   8.0134  173.496   10.794  165.901   16.292  179.437   14.410  246.842   12.214  256.990   10.376 -10.14774 16.02673 
1 1 1   -2   14   43 o  169.318   8.0437   77.661   7.3380   70.535   9.9892   86.013   10.815  160.913   11.488  177.722   11.262 -16.80904 16.08731 
1 1 1   -2   14   44 o  197.965   6.6243  106.831   7.0238  103.718   10.576  109.287   9.3948  195.296   10.022  200.634   8.6655 -5.337601 13.24869 
1 1 1   -2   14   45 o  396.707   6.2497  427.832   13.391  421.347   19.135  434.058   18.748  393.719   8.9939  399.696   8.6803 -5.976471 12.49946 
1 1 1   -2   14   46 o  179.051   6.7707   87.178   6.4978   88.448   9.8661   86.205   8.6350  180.113   10.137  177.988   8.9781 2.125046 13.54131 
1 1 1   -2   14   47 o  218.205   6.2413  129.786   7.2895  128.341   11.063  130.896   9.6909  217.013   9.4338  219.397   8.1742 -2.383972 12.48256 
1 1 1   -2   14   48 o  239.246   6.1814  156.804   7.9435  144.109   11.560  168.161   10.934  229.891   9.3055  248.602   8.1393 -18.71167 12.36289 
1 1 1   -2   14   49 o  177.578   6.8733   86.825   6.5251   81.431   9.7878   91.140   8.7544  172.401   10.506  182.754   8.8648 -10.35313 13.74664 
1 1 1   -2   14   50 o  187.113   6.6815   95.073   6.6917  100.732   10.308   90.950   8.7974  191.766   9.9475  182.460   8.9228 9.305634 13.36298 
1 1 1   -2   14   51 o  128.890   8.7628   46.787   5.9539   41.291   9.1516   50.819   7.8399  121.822   13.902  135.959   10.671 -14.13709 17.52564 
1 1 1   -2   14   52 o   60.925   16.603   8.2990   7.3898   7.8452   9.0418   9.2117   12.824   57.344   21.534   64.506   25.277 -7.162945 33.20606 
1 1 1   -2   14   53 o  106.785   16.733   35.270   9.4022   37.027   13.094   33.401   13.509  110.058   22.769  103.511   24.527 6.546242 33.46649 
1 1 1   -2   14   54 o  114.505   15.917   39.998   9.6102   29.077   13.233   52.185   13.979   95.458   25.261  133.551   19.371 -38.09262 31.83324 
1 1 1   -2   14   55 o  161.665   7.6660   70.459   6.5846   84.567   10.558   61.480   8.4233  174.377   11.205  148.953   10.465 25.42392 15.33203 
1 1 1   -2   14   56 o  183.262   9.1769   96.851   8.0536   89.865   15.117   99.619   9.5165  176.642   15.838  189.882   9.2748 -13.24033 18.35375 
1 1 1   -2   14   57 o  134.685   11.069   52.362   7.3469   52.770   13.420   52.187   8.7794  133.180   18.648  136.189   11.930 -3.008972 22.13727 
1 1 1   -2   14   58 o  138.318   9.9257   55.035   7.3673   59.921   10.201   49.707   10.651  145.323   12.990  131.313   15.011 14.01056 19.85148 
1 1 1   -2   14   59 o  127.525   9.9983   46.302   6.8338   52.046   10.516   42.103   8.9908  134.058   14.517  120.992   13.752 13.06614 19.99656 
1 1 1   -2   14   60 o   35.182   11.784  -7.8264   5.9110  -6.7323   8.9216  -8.6824   7.8916   37.307   17.501   33.057   15.784 4.250141 23.56709 
1 1 1   -2   14   61 o  288.966   6.3983  234.425   9.9665  221.535   14.303  246.591   13.896  280.790   9.4264  297.142   8.6542 -16.35233 12.79658 
1 1 1   -2   14   62 o  114.317   16.305   39.141   10.072   39.141   10.072   0.0000   0.0000  114.317   16.305  ?   ?       ?      ? 
1 1 1   -2   14   63 f  212.997   7.2167  128.717   8.2781  138.667   12.343  120.582   11.160  220.251   10.371  205.743   10.038 14.50783 14.43342 
1 1 1   -2   14   64 o   62.519   15.327   13.126   6.4184   18.978   9.8247   8.7680   8.4777   71.707   22.657   53.330   20.647 18.37720 30.65330 
1 1 1   -2   14   65 o   90.296   13.914   28.631   6.5745   27.376   9.7903   29.661   8.8727   86.817   21.080   93.774   18.166 -6.957512 27.82761 
1 1 1   -2   15    1 o  452.247   7.2832  549.380   15.428  561.261   30.971  545.458   17.792  455.329   12.587  449.166   7.3306 6.163544 14.56647 
1 1 1   -2   15    6 o  528.897   10.064  756.658   28.761   0.0000   0.0000  756.658   28.761  ?   ?   528.897   10.064      ?      ? 
1 1 1   -2   15    7 f  665.963   8.5209  1200.19   30.663  1200.74   43.487  1199.65   43.243  666.111   12.081  665.815   12.019 0.2962646 17.04190 
1 1 1   -2   15   14 o  302.067   5.5079  246.763   8.9844  243.469   12.893  249.872   12.527  300.104   7.9504  304.031   7.6250 -3.927429 11.01586 
1 1 1   -2   15   15 o  692.310   8.8227  1295.95   32.994  1271.42   45.915  1322.15   47.444  685.544   12.395  699.076   12.559 -13.53241 17.64548 
1 1 1   -2   15   16 o  534.198   7.1901  771.647   20.755  771.369   29.464  771.920   29.240  534.101   10.209  534.295   10.128 -0.1942139 14.38025 
1 1 1   -2   15   17 o  1198.39   14.458  3892.63   93.623  3908.57  133.076  3877.01  131.741  1200.81   20.509  1195.97   20.385 4.834717 28.91638 
1 1 1   -2   15   18 o  464.963   9.2769  584.513   23.308   0.0000   0.0000  584.513   23.308  ?   ?   464.963   9.2769      ?      ? 
1 1 1   -2   15   19 o  613.914   7.9740  1019.21   26.450  1005.92   37.089  1032.95   37.732  609.846   11.255  617.982   11.299 -8.136108 15.94800 
1 1 1   -2   15   21 o  752.476   9.4495  1531.47   38.411  1501.93   53.527  1562.83   55.153  745.005   13.296  759.947   13.431 -14.94165 18.89898 
1 1 1   -2   15   22 o  253.499   5.6940  173.781   7.7919  163.968   10.973  183.761   11.066  246.275   8.2455  260.723   7.8549 -14.44815 11.38801 
1 1 1   -2   15   23 o  675.547   8.6669  1234.66   31.636  1240.05   45.025  1229.41   44.461  676.998   12.308  674.096   12.206 2.901428 17.33389 
1 1 1   -2   15   24 o  685.820   8.7643  1272.51   32.476  1255.70   45.524  1289.93   46.345  681.211   12.367  690.429   12.422 -9.218201 17.52858 
1 1 1   -2   15   25 o  219.483   5.9929  130.595   7.0857  119.620   10.072  141.349   9.9701  210.322   8.8624  228.644   8.0696 -18.32274 11.98584 
1 1 1   -2   15   26 o  395.608   6.1687  423.269   13.185  421.535   18.794  424.949   18.502  394.806   8.8096  396.409   8.6373 -1.602814 12.33739 
1 1 1   -2   15   27 o  529.555   10.225  758.617   29.259   0.0000   0.0000  758.617   29.259  ?   ?   529.555   10.225      ?      ? 
1 1 1   -2   15   28 o  343.566   6.0200  318.495   11.162  298.136   15.409  340.976   16.192  332.035   8.5880  355.096   8.4385 -23.06094 12.04005 
1 1 1   -2   15   29 o  218.260   6.5243  128.497   7.6838  136.107   11.232  121.803   10.534  224.316   9.2665  212.204   9.1869 12.11159 13.04866 
1 1 1   -2   15   30 o  117.980   10.431   37.694   6.5679   46.089   9.5581   30.184   9.0402  130.445   13.560  105.515   15.855 24.92925 20.86296 
1 1 1   -2   15   32 o  771.496   9.7755  1612.74   40.741  1580.91   56.763  1646.56   58.509  763.662   13.756  779.330   13.893 -15.66833 19.55107 
1 1 1   -2   15   33 o  154.502   8.1462   64.746   6.7759   63.462   9.9672   65.849   9.2393  153.058   12.051  155.946   10.964 -2.888199 16.29240 
1 1 1   -2   15   34 o  462.402   6.8327  577.651   17.054  553.604   23.463  604.586   24.832  452.225   9.6014  472.578   9.7240 -20.35309 13.66539 
1 1 1   -2   15   35 o  104.424   15.063   26.926   7.6522   20.858   9.0007   42.748   14.534   85.747   19.822  123.101   22.686 -37.35358 30.12553 
1 1 1   -2   15   36 o  521.956   8.9555  742.345   23.709  730.405   41.234  748.242   28.978  518.409   14.720  525.503   10.205 -7.094604 17.91107 
1 1 1   -2   15   37 o  170.174   9.2475   75.737   7.6056   85.180   14.858   72.385   8.8533  176.916   15.542  163.432   10.025 13.48378 18.49495 
1 1 1   -2   15   38 o   77.599   13.844   17.493   6.2048   8.1962   9.1367   25.450   8.4529   60.039   21.803   95.159   17.066 -35.12024 27.68747 
1 1 1   -2   15   39 o  412.373   8.8512  461.345   19.628  473.198   29.390  451.802   26.372  417.029   13.042  407.717   11.970 9.312347 17.70231 
1 1 1   -2   15   40 o  343.656   8.2639  318.917   15.196  336.261   23.421  306.306   19.971  351.548   12.329  335.763   11.007 15.78516 16.52776 
1 1 1   -2   15   41 o  508.293   9.9377  705.010   27.245  713.288   39.854  697.748   37.331  510.945   14.435  505.641   13.663 5.303680 19.87539 
1 1 1   -2   15   42 o   55.603   13.849   5.2529   5.6591   13.733   8.6272  -1.1517   7.4974   69.933   21.082   41.272   17.965 28.66069 27.69843 
1 1 1   -2   15   43 o  486.689   6.9669  644.141   18.319  636.285   26.043  651.836   25.773  483.716   9.9636  489.662   9.7406 -5.945557 13.93389 
1 1 1   -2   15   44 o   51.714   14.007   4.7733   5.4663   7.6704   8.4373   2.6775   7.1760   57.426   20.937   46.001   18.612 11.42480 28.01321 
1 1 1   -2   15   45 o  210.158   6.3777  119.463   7.2084  127.565   10.850  113.062   9.6443  216.452   9.2767  203.863   8.7548 12.58961 12.75547 
1 1 1   -2   15   46 o   47.810   13.500   2.9848   5.4674  -1.4987   8.3405   6.3630   7.2398   42.946   18.814   52.674   19.365 -9.727634 26.99990 
1 1 1   -2   15   47 o  303.014   8.0566  249.807   13.192   0.0000   0.0000  249.807   13.192  ?   ?   303.014   8.0566      ?      ? 
1 1 1   -2   15   48 o   51.621   13.767   5.4397   5.4641   0.8878   8.3847   8.7997   7.2039   45.880   19.465   57.362   19.473 -11.48254 27.53368 
1 1 1   -2   15   49 o  260.074   5.9562  184.923   8.3490  178.445   12.117  190.779   11.520  255.621   8.7721  264.527   8.0595 -8.906052 11.91237 
1 1 1   -2   15   50 o  163.466   7.3242   73.265   6.4155   74.348   9.7504   72.438   8.5194  164.365   10.978  162.566   9.6982 1.798904 14.64831 
1 1 1   -2   15   51 o  137.369   11.333   54.783   7.8971   58.188   9.8351   48.604   13.249  144.709   12.578  130.029   18.856 14.67970 22.66615 
1 1 1   -2   15   52 o  307.884   8.8979  262.821   14.765  279.730   21.865  248.649   20.018  316.809   12.772  298.959   12.392 17.85004 17.79579 
1 1 1   -2   15   53 o  181.247   11.304   94.133   10.866  116.667   15.640   73.108   15.107  203.314   14.236  159.179   17.563 44.13428 22.60794 
1 1 1   -2   15   54 o  263.686   6.4075  188.718   8.9839  206.312   14.260  177.139   11.568  273.400   9.6526  253.971   8.4294 19.42888 12.81508 
1 1 1   -2   15   55 o  203.634   6.8936  115.556   7.5160  108.084   11.182  121.715   10.151  197.199   10.493  210.069   8.9428 -12.86954 13.78718 
1 1 1   -2   15   56 o  279.969   6.2345  215.570   9.3573  223.814   14.261  209.336   12.400  284.318   9.2822  275.620   8.3257 8.697998 12.46907 
1 1 1   -2   15   57 o  124.112   13.736   51.347   7.5492   36.351   13.917   57.599   8.9860  105.056   24.897  143.167   11.615 -38.11155 27.47291 
1 1 1   -2   15   58 o  128.070   9.7209   46.190   6.6406   53.005   10.464   41.595   8.5923  135.516   14.290  120.624   13.182 14.89161 19.44181 
1 1 1   -2   15   59 f  102.423   13.615   33.189   7.2476   40.790   10.037   24.910   10.476  117.751   15.775   87.094   22.195 30.65612 27.22981 
1 1 1   -2   15   60 o   50.625   14.491   4.1174   6.3474   11.528   9.8465  -1.1517   8.3028   60.600   22.527   40.650   18.234 19.95016 28.98157 
1 1 1   -2   15   61 o   93.551   14.226   27.769   6.9667   34.711   10.579   22.453   9.2576  104.454   19.459   82.648   20.757 21.80622 28.45176 
1 1 1   -2   15   62 o  107.620   12.783   36.591   7.1662   35.029   10.810   37.815   9.5718  103.415   20.068  111.825   15.840 -8.409264 25.56647 
1 1 1   -2   15   63 o   68.818   15.839   17.587   6.7294   19.885   10.103   15.754   9.0223   72.217   22.991   65.418   21.793 6.799049 31.67888 
1 1 1   -2   15   64 o  160.408   8.7129   76.614   7.4982   73.821   11.131   78.935   10.146  156.732   13.142  164.085   11.443 -7.353027 17.42573 
1 1 1   -2   16    1 o  371.100   6.5053  365.913   11.345  385.586   22.832  359.463   13.074  377.531   11.192  364.670   6.6346 12.86087 13.01057 
1 1 1   -2   16    2 o  972.149   14.556  2560.41   71.916  2576.58  125.303  2552.47   87.820  973.723   23.814  970.575   16.745 3.147827 29.11190 
1 1 1   -2   16    3 o  334.487   5.7365  302.576   10.364  298.748   14.812  306.249   14.508  332.409   8.2459  336.564   7.9770 -4.154755 11.47292 
1 1 1   -2   16    7 o  384.399   6.0288  399.478   12.522  391.858   17.632  407.231   17.786  380.699   8.5708  388.098   8.4810 -7.398376 12.05758 
1 1 1   -2   16    8 o  490.708   9.7159  651.160   25.763   0.0000   0.0000  651.160   25.763  ?   ?   490.708   9.7159      ?      ? 
1 1 1   -2   16    9 o  974.299   16.885  2571.31   88.896   0.0000   0.0000  2571.31   88.896  ?   ?   974.299   16.885      ?      ? 
1 1 1   -2   16   10 o  1131.01   13.731  3465.68   83.884  3408.91  116.676  3526.42  120.685  1121.46   19.254  1140.56   19.582 -19.10291 27.46155 
1 1 1   -2   16   12 o  440.712   6.4396  524.913   15.330  532.193   22.035  518.084   21.342  443.669   9.1909  437.754   9.0221 5.915222 12.87911 
1 1 1   -2   16   13 f  670.113   8.6261  1214.40   31.232  1197.90   43.748  1231.55   44.600  665.474   12.166  674.753   12.232 -9.278870 17.25211 
1 1 1   -2   16   14 o  541.516   7.3103  792.852   21.390  782.558   30.067  803.402   30.436  537.957   10.343  545.075   10.333 -7.117859 14.62059 
1 1 1   -2   16   15 o  460.957   9.3719  574.498   23.344  574.498   23.344   0.0000   0.0000  460.957   9.3719  ?   ?       ?      ? 
1 1 1   -2   16   17 o  227.134   5.8813  139.510   7.2156  137.837   10.314  141.114   10.098  225.798   8.4534  228.470   8.1793 -2.672394 11.76268 
1 1 1   -2   16   18 o  221.459   5.8156  133.017   6.9368  124.044   9.9773  141.414   9.6512  214.199   8.6200  228.718   7.8089 -14.51923 11.63113 
1 1 1   -2   16   19 o  339.084   5.9241  310.210   10.839  322.195   15.856  299.695   14.851  345.217   8.4998  332.951   8.2543 12.26572 11.84821 
1 1 1   -2   16   20 o  477.805   6.8073  615.820   17.553  586.642   24.096  648.810   25.622  465.778   9.5737  489.832   9.6799 -24.05408 13.61456 
1 1 1   -2   16   22 o  443.655   9.1755  532.263   21.997   0.0000   0.0000  532.263   21.997  ?   ?   443.655   9.1755      ?      ? 
1 1 1   -2   16   23 o  152.437   7.7299   62.470   6.3280   73.127   9.3279   53.383   8.6130  164.414   10.499  140.461   11.348 23.95313 15.45982 
1 1 1   -2   16   24 o  351.926   6.0516  334.917   11.506  326.074   16.211  343.895   16.334  347.242   8.6395  356.610   8.4762 -9.368530 12.10319 
1 1 1   -2   16   25 o  122.931   9.3770   40.618   6.2062   45.195   9.2354   36.850   8.3804  129.200   13.228  116.662   13.294 12.53748 18.75402 
1 1 1   -2   16   26 o  385.439   6.3432  401.443   13.206  386.087   18.389  417.795   18.976  377.833   9.0066  393.045   8.9346 -15.21161 12.68645 
1 1 1   -2   16   28 o  419.755   6.6553  476.568   15.094  480.721   21.525  472.549   21.172  421.552   9.4493  417.958   9.3745 3.594330 13.31057 
1 1 1   -2   16   29 o  554.068   7.7382  829.487   23.146  800.749   31.883  861.507   33.655  543.946   10.847  564.189   11.039 -20.24237 15.47644 
1 1 1   -2   16   30 o  103.282   13.268   30.039   7.1392   24.140   10.348   35.397   9.8622   92.352   21.186  114.212   15.980 -21.86051 26.53690 
1 1 1   -2   16   32 o  224.480   6.7968  136.380   8.2348  136.629   11.947  136.155   11.367  224.666   9.8405  224.295   9.3782 0.3711395 13.59360 
1 1 1   -2   16   33 o  812.218   10.241  1788.67   44.901  1733.62   61.837  1850.07   65.303  799.064   14.321  825.373   14.642 -26.30853 20.48114 
1 1 1   -2   16   34 o   89.056   16.548   24.248   7.9656   28.428   9.4794   14.203   14.694  100.643   18.096   77.468   27.712 23.17548 33.09663 
1 1 1   -2   16   35 o  336.819   7.6177  308.700   12.917  304.279   22.802  310.789   15.675  334.832   12.602  338.806   8.5617 -3.973816 15.23548 
1 1 1   -2   16   36 o  373.986   7.7179  383.722   14.605  366.667   25.322  392.224   17.879  367.424   12.754  380.547   8.6946 -13.12274 15.43570 
1 1 1   -2   16   37 o  179.613   9.8780   87.785   9.2373   87.928   15.262   87.703   11.604  179.549   15.731  179.676   11.952 -0.1273651 19.75603 
1 1 1   -2   16   38 o  249.388   8.5784  168.913   11.390  170.248   17.720  167.973   14.869  250.094   13.112  248.682   11.065 1.412170 17.15676 
1 1 1   -2   16   39 o  123.517   12.893   41.614   8.2057   42.793   13.956   40.991   10.145  124.558   20.735  122.477   15.328 2.081566 25.78530 
1 1 1   -2   16   40 o  360.388   6.2278  352.699   12.116  346.753   17.440  358.248   16.845  357.409   9.0298  363.368   8.5791 -5.958466 12.45551 
1 1 1   -2   16   41 o  308.330   8.2613  257.981   13.764   0.0000   0.0000  257.981   13.764  ?   ?   308.330   8.2613      ?      ? 
1 1 1   -2   16   42 o  272.098   6.0747  200.567   8.8726  204.980   13.403  197.124   11.838  274.686   9.0295  269.511   8.1286 5.175598 12.14936 
1 1 1   -2   16   43 o  269.234   5.9958  197.371   8.6841  192.312   12.809  201.675   11.814  265.954   8.9128  272.514   8.0225 -6.559998 11.99157 
1 1 1   -2   16   44 o  281.300   6.0720  215.259   9.1838  215.103   13.683  215.387   12.389  281.112   9.0079  281.488   8.1447 -0.3756714 12.14407 
1 1 1   -2   16   45 o  303.733   5.9862  251.429   9.8060  242.682   14.156  259.500   13.597  298.566   8.7740  308.900   8.1458 -10.33319 11.97235 
1 1 1   -2   16   46 o  147.449   8.0463   59.783   6.3309   58.204   9.6781   60.964   8.3701  145.566   12.304  149.333   10.373 -3.766083 16.09270 
1 1 1   -2   16   47 o  254.065   6.1591  176.530   8.4250  170.586   12.327  181.740   11.541  249.921   9.1280  258.210   8.2716 -8.288376 12.31825 
1 1 1   -2   16   48 o  169.211   7.3631   78.063   6.6600   81.752   10.293   75.406   8.7347  172.469   11.045  165.952   9.7403 6.516769 14.72619 
1 1 1   -2   16   49 f  214.418   6.4637  125.492   7.4545  129.280   11.156  122.437   10.020  217.221   9.5047  211.615   8.7622 5.606018 12.92731 
1 1 1   -2   16   50 o   77.970   18.277   18.323   9.1445   21.901   12.127   13.608   13.922   84.251   24.903   71.690   26.760 12.56079 36.55490 
1 1 1   -2   16   51 o  116.916   15.456   40.086   9.4348   28.378   12.524   55.450   14.347   95.434   24.239  138.399   19.184 -42.96480 30.91210 
1 1 1   -2   16   52 o  191.518   10.504  103.211   10.826   91.734   14.692  116.847   16.015  179.786   15.123  203.251   14.582 -23.46510 21.00777 
1 1 1   -2   16   53 o   94.273   12.730   28.202   6.1043   17.504   9.3876   36.040   8.0351   75.291   21.813  113.256   13.129 -37.96412 25.45972 
1 1 1   -2   16   54 o  308.621   6.2253  261.505   10.313  271.269   15.618  253.957   13.733  313.412   9.2222  303.830   8.3648 9.581543 12.45063 
1 1 1   -2   16   55 o   95.113   13.119   30.654   6.3697   15.130   10.052   41.069   8.2336   69.663   22.994  120.564   12.638 -50.90095 26.23817 
1 1 1   -2   16   56 o  102.233   11.545   30.119   6.3291   33.428   9.7108   27.675   8.3451  106.826   16.823   97.640   15.817 9.186058 23.09041 
1 1 1   -2   16   57 o  291.317   6.4565  235.762   10.112  233.972   15.038  237.238   13.661  289.896   9.6000  292.738   8.6362 -2.842133 12.91291 
1 1 1   -2   16   58 o  127.488   14.264   53.157   7.8590   44.977   15.660   55.911   9.0860  114.649   25.890  140.328   11.982 -25.67888 28.52836 
1 1 1   -2   16   59 o   91.649   15.286   28.204   7.4398   28.937   10.181   27.365   10.899   93.771   20.651   89.527   22.543 4.243317 30.57160 
1 1 1   -2   16   60 o   40.990   13.408  -6.1987   7.1186 -11.9063   9.7444   0.3331   10.424   35.239   17.010   46.740   20.731 -11.50128 26.81618 
1 1 1   -2   16   61 o   75.919   15.981   19.597   6.9900   22.300   10.720   17.597   9.2193   79.851   23.361   71.987   21.814 7.864120 31.96229 
1 1 1   -2   16   62 o  185.586   8.0466  101.852   7.9842   94.524   11.864  107.918   10.794  178.155   12.324  193.017   10.349 -14.86223 16.09314 
1 1 1   -2   16   63 o   71.076   15.666   18.264   6.5840   20.567   10.297   16.671   8.5632   73.903   23.173   68.249   21.089 5.654732 31.33244 
1 1 1   -2   17    1 o  635.301   10.080  1081.39   32.125  1121.62   57.820  1063.43   38.637  643.569   16.626  627.033   11.403 16.53619 20.16098 
1 1 1   -2   17    2 o  504.119   7.8807  688.503   18.827  684.910   36.885  689.769   21.894  503.103   13.568  505.135   8.0211 -2.031555 15.76147 
1 1 1   -2   17    4 f  444.304   9.2067  533.723   22.104   0.0000   0.0000  533.723   22.104  ?   ?   444.304   9.2067      ?      ? 
1 1 1   -2   17    6 o  1038.29   12.688  2920.03   71.187  2924.30  101.001  2915.81  100.349  1039.04   17.989  1037.54   17.899 1.496460 25.37647 
1 1 1   -2   17    7 o  719.009   9.1693  1398.60   35.624  1399.01   50.598  1398.20   50.165  719.109   13.021  718.909   12.913 0.1992188 18.33860 
1 1 1   -2   17    8 o  168.747   6.7478   77.302   6.1242   72.925   8.9436   81.165   8.4035  164.225   10.078  173.269   8.9754 -9.044083 13.49553 
1 1 1   -2   17    9 o  598.845   11.186  969.866   36.199   0.0000   0.0000  969.866   36.199  ?   ?   598.845   11.186      ?      ? 
1 1 1   -2   17   11 o   71.396   12.641   14.299   4.8759   16.084   7.0431   12.656   6.7570   75.553   17.581   67.239   18.167 8.313980 25.28131 
1 1 1   -2   17   12 o  323.378   5.8084  282.744   10.146  281.060   14.527  284.348   14.176  322.435   8.3378  324.321   8.0889 -1.885895 11.61673 
1 1 1   -2   17   13 o  232.857   5.9135  146.762   7.4241  143.743   10.806  149.461   10.217  230.580   8.6726  235.133   8.0414 -4.552780 11.82702 
1 1 1   -2   17   16 o  207.202   9.0426  116.081   10.125  116.081   10.125   0.0000   0.0000  207.202   9.0426  ?   ?       ?      ? 
1 1 1   -2   17   17 o  671.101   8.6775  1217.44   31.451  1187.53   43.608  1249.86   45.403  662.526   12.181  679.677   12.362 -17.15167 17.35496 
1 1 1   -2   17   18 f  208.132   9.0187  117.130   10.143   0.0000   0.0000  117.130   10.143  ?   ?   208.132   9.0187      ?      ? 
1 1 1   -2   17   19 o  138.514   8.5429   51.950   6.3099   63.667   9.1575   41.358   8.7068  153.412   11.047  123.617   13.034 29.79447 17.08577 
1 1 1   -2   17   20 o  217.812   6.3878  128.250   7.5120  129.368   10.869  127.228   10.394  218.717   9.1961  216.907   8.8683 1.809570 12.77555 
1 1 1   -2   17   21 o  284.883   6.0023  218.921   9.2251  202.541   12.725  237.066   13.393  273.675   8.6046  296.090   8.3709 -22.41525 12.00465 
1 1 1   -2   17   22 o  464.789   9.5225  584.317   23.916   0.0000   0.0000  584.317   23.916  ?   ?   464.789   9.5225      ?      ? 
1 1 1   -2   17   23 o  547.492   7.5502  810.560   22.331  792.270   31.161  829.870   32.018  541.147   10.656  553.836   10.699 -12.68939 15.10031 
1 1 1   -2   17   24 o  240.046   9.4111  155.856   12.207  155.856   12.207   0.0000   0.0000  240.046   9.4111  ?   ?       ?      ? 
1 1 1   -2   17   26 o  1011.04   12.426  2771.64   67.851  2718.20   94.172  2829.32   97.844  1000.95   17.411  1021.13   17.732 -20.17719 24.85104 
1 1 1   -2   17   28 o  631.220   11.833  1079.06   40.362   0.0000   0.0000  1079.06   40.362  ?   ?   631.220   11.833      ?      ? 
1 1 1   -2   17   29 o  365.109   6.4416  360.619   12.705  347.858   17.825  373.796   18.113  358.540   9.2001  371.678   9.0184 -13.13806 12.88312 
1 1 1   -2   17   30 o  722.857   9.3006  1415.53   36.317  1383.76   50.568  1449.38   52.190  714.494   13.097  731.220   13.208 -16.72577 18.60119 
1 1 1   -2   17   31 o  372.403   6.4298  375.113   12.931  357.342   18.032  393.929   18.554  363.323   9.1845  381.484   9.0009 -18.16125 12.85966 
1 1 1   -2   17   32 o  397.924   6.4909  427.551   13.926  446.217   20.534  411.653   18.950  405.926   9.3615  389.922   8.9940 16.00421 12.98187 
1 1 1   -2   17   33 o  509.146   8.9970  696.958   23.141  685.282   28.008  722.072   41.079  502.882   10.307  515.411   14.750 -12.52850 17.99396 
1 1 1   -2   17   34 o  570.811   7.8316  882.844   24.126  898.593   35.137  868.796   33.185  575.580   11.297  566.042   10.849 9.537903 15.66322 
1 1 1   -2   17   35 f  143.895   14.984   56.396   11.651   0.0000   0.0000   56.396   11.651  ?   ?   143.895   14.984      ?      ? 
1 1 1   -2   17   36 o  217.618   9.9977  135.911   11.126   99.572   17.184  162.140   14.600  190.882   16.660  244.355   11.057 -53.47366 19.99538 
1 1 1   -2   17   37 o  253.138   8.8936  176.733   11.876  162.432   18.512  186.734   15.481  244.095   14.035  262.180   10.928 -18.08501 17.78717 
1 1 1   -2   17   38 o  335.695   8.5866  305.645   15.576   0.0000   0.0000  305.645   15.576  ?   ?   335.695   8.5866      ?      ? 
1 1 1   -2   17   39 o  269.622   6.2647  197.846   9.1035  188.329   13.147  206.613   12.618  263.320   9.2393  275.923   8.4629 -12.60291 12.52942 
1 1 1   -2   17   40 o  244.981   6.3860  163.716   8.3937  156.207   12.471  169.935   11.349  239.736   9.6267  250.226   8.3935 -10.49051 12.77203 
1 1 1   -2   17   41 o  162.720   7.8842   73.894   6.7364   63.242   10.370   81.670   8.8607  152.132   12.614  173.308   9.4615 -21.17619 15.76842 
1 1 1   -2   17   42 o  218.886   6.5255  129.766   7.6573  135.090   11.679  125.752   10.141  222.722   9.7039  215.049   8.7270 7.673035 13.05096 
1 1 1   -2   17   43 o  121.503   9.4926   40.214   6.1291   42.464   9.6902   38.713   7.9129  124.151   14.444  118.854   12.321 5.296814 18.98517 
1 1 1   -2   17   44 o   50.260   14.063   4.1892   5.6859   1.9665   8.7909   5.7877   7.4552   48.597   20.228   51.923   19.542 -3.325710 28.12604 
1 1 1   -2   17   45 o  193.867   6.9301  102.560   7.2112  103.550   10.866  101.782   9.6401  194.584   10.334  193.150   9.2363 1.433289 13.86013 
1 1 1   -2   17   46 o  185.674   6.9625   92.930   6.9085  103.778   10.784   85.379   8.9973  194.626   10.254  176.723   9.4217 17.90324 13.92502 
1 1 1   -2   17   47 o  263.445   6.1122  189.716   8.6691  187.203   12.772  191.862   11.805  261.698   9.0316  265.192   8.2380 -3.494568 12.22430 
1 1 1   -2   17   48 o  233.836   8.3669  148.208   9.9675  142.768   12.117  159.595   17.530  228.117   9.8297  239.555   13.542 -11.43758 16.73372 
1 1 1   -2   17   49 o  153.344   12.141   66.870   10.045   65.225   13.773   68.739   14.684  151.489   16.825  155.198   17.509 -3.708954 24.28229 
1 1 1   -2   17   50 o  299.781   9.2600  250.262   14.955  241.667   20.245  260.586   22.187  294.406   12.726  305.156   13.455 -10.74963 18.52002 
1 1 1   -2   17   51 o  223.003   8.0615  132.915   8.8947  151.712   16.714  125.488   10.506  232.445   13.307  213.560   9.1038 18.88522 16.12298 
1 1 1   -2   17   52 o  302.513   6.2478  252.969   10.157  236.662   14.846  267.316   13.925  292.962   9.3780  312.065   8.2580 -19.10324 12.49569 
1 1 1   -2   17   53 o   68.465   14.699   13.502   5.8903   19.330   9.4772   9.8337   7.5188   78.499   21.644   58.432   19.894 20.06727 29.39771 
1 1 1   -2   17   54 o  148.893   8.3527   61.441   6.6139   67.106   10.486   57.699   8.5230  154.121   12.591  143.665   10.979 10.45648 16.70546 
1 1 1   -2   17   55 o  116.225   10.673   39.278   6.5906   36.895   10.075   41.060   8.7135  112.349   16.596  120.101   13.426 -7.751961 21.34677 
1 1 1   -2   17   56 o  253.574   6.6464  179.043   9.0746  175.721   13.332  181.910   12.387  251.044   9.8279  256.104   8.9506 -5.060242 13.29287 
1 1 1   -2   17   57 o  238.269   6.8729  158.463   8.7946  159.053   13.188  157.990   11.802  238.241   10.244  238.297   9.1653 -0.5612183E-01 13.74582 
1 1 1   -2   17   58 o   98.381   15.874   29.942   7.4963   40.158   14.680   26.339   8.7187  105.652   25.911   91.110   18.344 14.54228 31.74712 
1 1 1   -2   17   59 o   38.923   13.535 -20.4616   7.4828  -0.8520   14.715 -27.3015   8.6904   52.406   23.816   25.439   12.869 26.96668 27.07033 
1 1 1   -2   17   60 o  125.935   13.366   52.117   8.2762   63.714   11.006   37.027   12.555  147.488   13.810  104.382   22.889 43.10524 26.73240 
1 1 1   -2   17   61 o  182.913   8.2701   97.585   8.1138  108.990   12.433   89.126   10.708  191.694   12.003  174.133   11.380 17.56161 16.54026 
1 1 1   -2   17   62 o   84.477   14.895   24.335   6.8106   32.653   10.567   18.426   8.9074   97.201   20.750   71.753   21.374 25.44789 29.79004 
1 1 1   -2   18    1 o  337.358   7.9361  307.658   14.467   0.0000   0.0000  307.658   14.467  ?   ?   337.358   7.9361      ?      ? 
1 1 1   -2   18    2 o  358.072   6.6480  344.911   11.376  350.450   22.116  342.918   13.265  359.956   11.370  356.188   6.8920 3.767181 13.29604 
1 1 1   -2   18    3 o  464.389   7.5724  585.142   16.636  579.279   32.640  587.199   19.337  462.703   13.054  466.075   7.6778 -3.371368 15.14476 
1 1 1   -2   18    4 o  534.572   7.3980  772.815   21.370  765.301   30.188  780.361   30.254  531.965   10.502  537.178   10.423 -5.212463 14.79595 
1 1 1   -2   18    5 o  181.349   9.7532   88.928   9.5576   0.0000   0.0000   88.928   9.5576  ?   ?   181.349   9.7532      ?      ? 
1 1 1   -2   18    6 o  406.173   6.3934  446.115   14.028  443.299   20.043  448.819   19.641  404.913   9.1604  407.434   8.9212 -2.520905 12.78671 
1 1 1   -2   18    7 o  540.825   7.3960  790.858   21.609  797.741   30.962  784.322   30.173  543.115   10.550  538.536   10.368 4.578552 14.79208 
1 1 1   -2   18    8 o  500.449   7.0547  677.139   19.074  682.890   27.297  671.654   26.663  502.521   10.053  498.377   9.9005 4.144653 14.10938 
1 1 1   -2   18   11 o  845.682   14.938  1936.10   68.262   0.0000   0.0000  1936.10   68.262  ?   ?   845.682   14.938      ?      ? 
1 1 1   -2   18   12 o  520.585   7.2746  732.939   20.463  729.854   29.067  735.971   28.811  519.495   10.355  521.674   10.221 -2.179077 14.54915 
1 1 1   -2   18   13 o  239.434   6.4466  154.851   8.3365  149.285   11.579  160.842   12.012  234.971   9.1191  243.898   9.1146 -8.926086 12.89318 
1 1 1   -2   18   14 o  1120.78   13.632  3405.33   82.554  3376.14  115.791  3435.51  117.731  1115.91   19.202  1125.65   19.355 -9.738403 27.26466 
1 1 1   -2   18   16 o  301.366   6.1498  245.714   10.008  236.661   14.196  254.661   14.113  295.839   8.8802  306.893   8.5100 -11.05450 12.29952 
1 1 1   -2   18   17 o  365.614   6.3885  361.542   12.608  360.501   18.244  362.494   17.444  365.102   9.2475  366.126   8.8169 -1.024078 12.77708 
1 1 1   -2   18   18 o  687.442   8.9128  1276.51   33.063  1228.87   45.328  1330.67   48.333  673.781   12.450  701.103   12.758 -27.32239 17.82566 
1 1 1   -2   18   19 o  234.803   6.7953  149.195   8.5906  148.307   12.681  149.948   11.679  234.146   10.022  235.461   9.1790 -1.314346 13.59053 
1 1 1   -2   18   20 o  808.484   10.192  1769.18   44.506  1731.36   61.822  1809.87   64.123  799.535   14.309  817.432   14.517 -17.89771 20.38383 
1 1 1   -2   18   21 o  339.771   6.3531  312.205   11.660  312.647   16.717  311.785   16.273  340.001   9.0987  339.540   8.8692 0.4602051 12.70630 
1 1 1   -2   18   22 o  440.659   6.8194  524.262   16.209  541.453   23.789  509.367   22.144  447.377   9.8406  433.941   9.4434 13.43634 13.63877 
1 1 1   -2   18   23 o  109.180   12.147   32.370   7.1331   31.990   10.577   32.687   9.6602  108.569   18.030  109.791   16.283 -1.222565 24.29395 
1 1 1   -2   18   24 o  484.186   7.1903  634.367   18.810  629.741   26.756  638.888   26.450  482.434   10.263  485.938   10.073 -3.503937 14.38069 
1 1 1   -2   18   25 o  429.886   9.5393  499.982   22.159   0.0000   0.0000  499.982   22.159  ?   ?   429.886   9.5393      ?      ? 
1 1 1   -2   18   26 o  706.191   12.911  1351.35   49.268   0.0000   0.0000  1351.35   49.268  ?   ?   706.191   12.911      ?      ? 
1 1 1   -2   18   27 o  757.637   13.639  1556.11   55.838   0.0000   0.0000  1556.11   55.838  ?   ?   757.637   13.639      ?      ? 
1 1 1   -2   18   28 o  430.150   6.8109  500.839   15.828  487.434   22.337  514.358   22.431  424.360   9.7408  435.940   9.5222 -11.58014 13.62186 
1 1 1   -2   18   29 o  588.362   11.202  938.005   35.614   0.0000   0.0000  938.005   35.614  ?   ?   588.362   11.202      ?      ? 
1 1 1   -2   18   30 o   76.900   15.693   16.422   6.8685   18.073   10.183   15.044   9.3034   80.164   22.557   73.636   21.824 6.528297 31.38649 
1 1 1   -2   18   31 o  700.176   12.788  1330.54   48.384   0.0000   0.0000  1330.54   48.384  ?   ?   700.176   12.788      ?      ? 
1 1 1   -2   18   32 o  545.410   11.010  801.731   32.234  876.802   49.144  745.045   42.704  567.484   16.026  523.336   15.101 44.14807 22.01980 
1 1 1   -2   18   33 o  586.078   11.386  925.873   35.837  841.441   47.588  1036.49   54.469  555.641   15.849  616.515   16.350 -60.87390 22.77112 
1 1 1   -2   18   34 f  162.086   14.455   71.577   12.661   0.0000   0.0000   71.577   12.661  ?   ?   162.086   14.455      ?      ? 
1 1 1   -2   18   35 o  115.113   13.046   36.586   7.6403   23.971   10.227   52.523   11.494   91.520   21.110  138.706   15.335 -47.18642 26.09183 
1 1 1   -2   18   36 o  289.536   8.6133  227.330   13.476   0.0000   0.0000  227.330   13.476  ?   ?   289.536   8.6133      ?      ? 
1 1 1   -2   18   37 o  226.973   6.6327  139.334   8.0688  144.231   12.307  135.641   10.686  230.392   9.8856  223.553   8.8458 6.839661 13.26548 
1 1 1   -2   18   38 o   97.092   12.495   25.741   6.2846   46.032   9.7435   11.286   8.2240  129.726   13.900   64.459   20.768 65.26716 24.98982 
1 1 1   -2   18   39 o   57.208   14.600   6.6336   5.9048   12.048   9.1350   2.7475   7.7389   66.835   21.913   47.580   19.301 19.25487 29.20085 
1 1 1   -2   18   40 o  274.300   6.2872  205.047   9.2830  197.784   13.597  211.386   12.704  269.655   9.3317  278.945   8.4284 -9.290314 12.57448 
1 1 1   -2   18   41 o   62.377   14.447   9.6265   5.7830   15.482   8.8438   5.2528   7.6436   73.334   21.151   51.419   19.684 21.91525 28.89306 
1 1 1   -2   18   42 o  255.242   6.2417  176.357   8.5722  187.785   12.859  167.215   11.501  262.591   9.0621  247.892   8.5856 14.69893 12.48333 
1 1 1   -2   18   43 o  139.443   8.7619   54.177   6.4648   48.750   9.9044   58.206   8.5332  133.005   13.781  145.880   10.825 -12.87520 17.52390 
1 1 1   -2   18   44 o   50.853   14.167   4.5415   5.7623   2.0800   8.9142   6.3083   7.5524   48.826   20.350   52.880   19.715 -4.054073 28.33377 
1 1 1   -2   18   45 o   95.975   12.046   26.052   6.0585   27.687   9.3007   24.847   7.9851   97.621   18.304   94.328   15.666 3.293556 24.09242 
1 1 1   -2   18   46 o  259.543   6.3430  184.627   8.8683  176.529   12.877  191.934   12.231  253.973   9.3828  265.114   8.5380 -11.14111 12.68602 
1 1 1   -2   18   47 o  134.027   12.933   50.189   9.2670   42.342   12.176   60.991   14.287  121.749   18.508  146.305   18.071 -24.55625 25.86692 
1 1 1   -2   18   48 o   61.737   17.192   6.0773   8.7697  -0.9766   11.761   14.912   13.162   50.632   22.257   72.842   26.209 -22.21055 34.38474 
1 1 1   -2   18   49 o  291.209   9.2340  235.587   14.469  221.374   19.407  253.378   21.712  281.609   12.753  300.810   13.358 -19.20114 18.46810 
1 1 1   -2   18   50 o  118.466   10.350   37.685   6.4516   51.538   10.563   29.443   8.1479  134.996   14.480  101.937   14.792 33.05899 20.69993 
1 1 1   -2   18   51 o   53.239   13.191   0.5736   5.8487   17.584   9.3143 -10.4994   7.5149   75.346   21.699   31.132   15.005 44.21405 26.38124 
1 1 1   -2   18   52 o   72.001   14.609   15.225   6.0047   21.520   9.4862   11.016   7.7565   82.956   21.110   61.046   20.200 21.91026 29.21773 
1 1 1   -2   18   53 o   80.031   12.512   16.427   6.2245   37.958   9.9231   2.4592   7.9923  114.303   16.066   45.759   19.186 68.54453 25.02405 
1 1 1   -2   18   54 o  239.911   6.6948  160.627   8.6066  150.235   12.757  169.309   11.660  232.270   10.164  247.551   8.7168 -15.28073 13.38968 
1 1 1   -2   18   55 o   81.033   14.460   21.428   6.3521   17.650   9.9486   24.028   8.2535   73.609   22.728   88.458   17.882 -14.84904 28.91944 
1 1 1   -2   18   56 o  213.071   7.2041  127.035   8.2543  128.862   12.325  125.549   11.115  214.104   10.653  212.038   9.7008 2.065735 14.40817 
1 1 1   -2   18   57 f  155.048   12.068   69.151   10.111   0.0000   0.0000   69.151   10.111  ?   ?   155.048   12.068      ?      ? 
1 1 1   -2   18   58 o  159.141   8.8433   72.339   7.5523   77.473   11.506   68.453   10.011  163.665   13.010  154.617   11.982 9.047958 17.68665 
1 1 1   -2   18   59 o   83.901   16.235   26.742   7.8120   15.939   14.968   30.786   9.1582   68.706   27.186   99.096   17.755 -30.38937 32.47069 
1 1 1   -2   18   60 o   73.937   16.291   21.009   7.1716   22.786   10.807   19.611   9.5867   76.015   23.725   71.858   22.331 4.157227 32.58140 
1 1 1   -2   18   61 o   66.975   16.815   16.813   7.6599   17.784   10.352   15.637   11.388   69.029   23.344   64.920   24.208 4.109238 33.62957 
1 1 1   -2   18   62 o  102.928   12.877   35.144   6.9474   41.307   10.906   30.935   9.0126  110.647   18.241   95.210   18.181 15.43688 25.75426 
1 1 1   -2   19    1 f  119.663   11.149   38.731   7.2092   0.0000   0.0000   38.731   7.2092  ?   ?   119.663   11.149      ?      ? 
1 1 1   -2   19    2 o  522.758   8.2661  726.969   20.130  763.513   41.013  715.371   23.105  531.112   14.291  514.403   8.3121 16.70911 16.53213 
1 1 1   -2   19    3 o  851.149   12.350  1913.90   47.767  2053.38  101.385  1874.11   54.155  869.981   21.566  832.316   12.041 37.66461 24.70004 
1 1 1   -2   19    4 o  771.894   9.7665  1612.32   40.732  1626.30   58.146  1598.84   57.075  775.173   13.881  768.615   13.742 6.558472 19.53297 
1 1 1   -2   19    6 o  441.928   9.5218  528.100   22.738   0.0000   0.0000  528.100   22.738  ?   ?   441.928   9.5218      ?      ? 
1 1 1   -2   19    8 o  975.693   12.015  2577.13   63.313  2524.74   87.788  2633.91   91.397  965.393   16.828  985.993   17.154 -20.59998 24.03038 
1 1 1   -2   19    9 o  336.794   6.2728  306.619   11.413  303.224   15.930  310.200   16.360  334.881   8.8031  338.707   8.9386 -3.826569 12.54563 
1 1 1   -2   19   10 o  165.447   8.0080   74.049   7.1461   80.167   10.211   68.177   10.004  172.150   10.977  158.743   11.663 13.40668 16.01603 
1 1 1   -2   19   11 o  519.078   10.383  728.804   29.123   0.0000   0.0000  728.804   29.123  ?   ?   519.078   10.383      ?      ? 
1 1 1   -2   19   12 o  247.773   9.2995  166.026   12.451  166.026   12.451   0.0000   0.0000  247.773   9.2995  ?   ?       ?      ? 
1 1 1   -2   19   15 o  465.737   6.9954  586.739   17.605  582.441   24.826  591.087   24.968  464.021   9.9012  467.453   9.8847 -3.432465 13.99074 
1 1 1   -2   19   16 o  442.022   10.010  528.524   23.908  528.524   23.908   0.0000   0.0000  442.022   10.010  ?   ?       ?      ? 
1 1 1   -2   19   17 o  810.190   10.253  1775.44   44.848  1721.83   61.832  1834.95   65.146  797.323   14.351  823.056   14.648 -25.73236 20.50657 
1 1 1   -2   19   18 o  712.971   9.2581  1376.11   35.665  1355.98   50.067  1396.84   50.818  707.680   13.093  718.262   13.093 -10.58191 18.51618 
1 1 1   -2   19   19 o  242.575   9.9199  159.192   13.003   0.0000   0.0000  159.192   13.003  ?   ?   242.575   9.9199      ?      ? 
1 1 1   -2   19   20 o  137.328   10.791   50.205   7.9073   63.024   12.030   40.453   10.492  152.506   14.598  122.149   15.896 30.35707 21.58194 
1 1 1   -2   19   21 o  517.006   7.4745  720.631   20.842  678.227   28.442  769.809   30.629  500.645   10.513  533.368   10.627 -32.72281 14.94893 
1 1 1   -2   19   22 o   66.321   16.211   9.9379   7.4727   3.2752   10.735   16.200   10.408   55.800   22.696   76.843   23.154 -21.04295 32.42239 
1 1 1   -2   19   23 o   59.833   15.988   6.8885   7.1679   3.5790   10.776   9.5148   9.5996   56.267   22.792   63.400   22.428 -7.133049 31.97701 
1 1 1   -2   19   24 o  145.516   9.5234   57.108   7.4689   61.764   11.052   53.195   10.133  150.944   13.550  140.088   13.385 10.85614 19.04683 
1 1 1   -2   19   25 o  452.911   9.7369  555.178   23.830   0.0000   0.0000  555.178   23.830  ?   ?   452.911   9.7369      ?      ? 
1 1 1   -2   19   26 o  547.335   10.761  811.302   31.828   0.0000   0.0000  811.302   31.828  ?   ?   547.335   10.761      ?      ? 
1 1 1   -2   19   27 f  174.173   8.3850   82.454   7.8633   79.336   11.489   85.202   10.785  171.038   12.430  177.307   11.257 -6.269516 16.77003 
1 1 1   -2   19   28 o  364.243   6.5685  359.492   12.921  349.818   18.422  368.858   18.126  359.399   9.4860  369.086   9.0883 -9.686798 13.13702 
1 1 1   -2   19   29 o  154.961   9.2930   64.829   7.7511   69.176   11.602   61.324   10.417  159.609   13.452  150.312   12.825 9.296127 18.58603 
1 1 1   -2   19   30 o  336.818   9.4538  310.266   17.073  286.487   25.137  330.631   23.262  324.621   14.330  349.015   12.335 -24.39407 18.90756 
1 1 1   -2   19   31 o  221.264   16.247  133.491   19.426  133.491   19.426   0.0000   0.0000  221.264   16.247  ?   ?       ?      ? 
1 1 1   -2   19   32 o  237.149   15.722  153.446   20.148  153.446   20.148   0.0000   0.0000  237.149   15.722  ?   ?       ?      ? 
1 1 1   -2   19   33 o  191.557   10.044  100.390   10.345   95.495   15.176  104.640   14.140  187.081   15.012  196.034   13.348 -8.952942 20.08835 
1 1 1   -2   19   34 o   89.829   13.904   23.309   6.6765   17.543   10.005   27.939   8.9646   78.627   22.441  101.031   16.421 -22.40436 27.80726 
1 1 1   -2   19   35 o   62.440   15.272   9.8437   6.3359   7.3432   9.5101   11.839   8.4960   58.907   22.091   65.974   21.093 -7.066822 30.54386 
1 1 1   -2   19   36 o  165.432   8.3256   76.018   7.2976   62.340   10.698   87.922   9.9801  151.074   13.105  179.789   10.273 -28.71506 16.65124 
1 1 1   -2   19   37 o   62.860   15.238   9.5491   6.2972   13.883   9.5980   6.2735   8.3442   70.859   22.394   54.861   20.670 15.99861 30.47509 
1 1 1   -2   19   38 o   91.463   13.269   24.439   6.3630   18.694   9.6422   28.870   8.4688   80.430   21.689  102.496   15.291 -22.06602 26.53727 
1 1 1   -2   19   39 o  118.688   10.976   40.402   6.6040   29.218   9.5195   50.778   9.1691  101.185   18.074  136.192   12.459 -35.00725 21.95208 
1 1 1   -2   19   40 o  113.504   10.282   35.579   6.2616   34.810   9.3685   36.200   8.4182  112.250   15.445  114.758   13.575 -2.507515 20.56313 
1 1 1   -2   19   41 o  219.045   6.7359  131.983   7.9006  117.345   11.513  145.010   10.861  207.301   10.278  230.789   8.7092 -23.48779 13.47180 
1 1 1   -2   19   42 o  149.691   10.874   61.345   8.7957   0.0000   0.0000   61.345   8.7957  ?   ?   149.691   10.874      ?      ? 
1 1 1   -2   19   43 o  132.914   9.2210   48.085   6.5667   54.373   10.124   43.518   8.6280  140.234   13.360  125.593   12.713 14.64107 18.44204 
1 1 1   -2   19   44 o  122.830   10.986   44.939   6.6471   30.442   9.9580   56.589   8.9270  102.269   18.709  143.390   11.521 -41.12105 21.97176 
1 1 1   -2   19   45 o  206.572   10.099  115.824   11.120   95.270   14.506  145.113   17.316  184.814   14.525  228.329   14.034 -43.51501 20.19741 
1 1 1   -2   19   46 o  120.668   16.032   46.359   9.8391   59.099   13.076   29.730   14.939  144.354   16.763   96.983   27.333 47.37097 32.06343 
1 1 1   -2   19   47 o   59.334   17.009   5.3159   8.9481   11.462   11.528  -4.0000   14.193   66.087   24.413   52.580   23.690 13.50742 34.01757 
1 1 1   -2   19   48 o   60.493   12.802  -8.3939   6.3885   29.009   11.560 -24.8408   7.6654   96.853   22.515   24.133   12.194 72.72062 25.60474 
1 1 1   -2   19   49 o   62.951   14.385   11.767   5.8586   6.1938   9.2947   15.441   7.5464   54.469   21.465   71.432   19.156 -16.96290 28.76967 
1 1 1   -2   19   50 o   62.666   14.888   11.583   5.9670   9.7192   9.3520   12.862   7.7493   60.063   22.020   65.270   20.044 -5.207653 29.77671 
1 1 1   -2   19   51 o  148.347   8.6248   63.187   6.7464   52.617   10.093   71.726   9.0708  136.122   13.721  160.572   10.454 -24.44989 17.24969 
1 1 1   -2   19   52 o  127.737   9.7059   45.030   6.5894   56.862   10.467   37.263   8.4807  141.186   13.720  114.287   13.732 26.89854 19.41185 
1 1 1   -2   19   53 o  150.220   8.7148   62.948   7.0017   69.199   10.872   58.518   9.1523  156.213   12.880  144.228   11.743 11.98563 17.42960 
1 1 1   -2   19   54 o   73.031   14.776   17.671   6.4086   11.371   9.9950   22.069   8.3513   62.003   22.760   84.059   18.851 -22.05637 29.55260 
1 1 1   -2   19   55 o   65.091   14.462   13.244   6.4268   3.5884   9.8124   20.497   8.5049   49.997   21.126   80.184   19.757 -30.18766 28.92459 
1 1 1   -2   19   56 o   78.975   15.321   21.398   6.7810   18.691   10.264   23.495   9.0328   73.385   23.155   84.565   20.068 -11.18080 30.64139 
1 1 1   -2   19   57 o  179.038   8.1080   91.072   7.7706   93.062   11.867   89.579   10.282  180.144   12.190  177.931   10.694 2.213318 16.21597 
1 1 1   -2   19   58 o   76.732   15.530   20.689   7.0293   14.752   10.696   25.202   9.3261   65.990   23.639   87.473   20.146 -21.48235 31.05926 
1 1 1   -2   19   59 o  272.040   9.3931  211.822   13.808   0.0000   0.0000  211.822   13.808  ?   ?   272.040   9.3931      ?      ? 
1 1 1   -2   19   60 o   45.066   14.757  -1.0845   7.5863  -2.6757   15.212  -0.5577   8.7524   49.033   22.954   41.098   18.552 7.935081 29.51376 
1 1 1   -2   20    1 o  255.316   6.7555  176.210   9.3202   0.0000   0.0000  176.210   9.3202  ?   ?   255.316   6.7555      ?      ? 
1 1 1   -2   20    2 o  512.036   10.742  709.262   29.722   0.0000   0.0000  709.262   29.722  ?   ?   512.036   10.742      ?      ? 
1 1 1   -2   20    3 o  327.651   6.9197  297.786   11.133  272.297   20.141  308.999   13.359  317.221   11.750  338.081   7.3123 -20.86053 13.83932 
1 1 1   -2   20    4 o  428.156   7.4847  503.216   15.537  479.279   29.030  512.825   18.393  420.793   12.767  435.519   7.8156 -14.72601 14.96930 
1 1 1   -2   20    5 o  159.567   8.7313   68.325   7.4723   81.309   11.093   57.540   10.110  173.337   11.843  145.797   12.833 27.54018 17.46258 
1 1 1   -2   20    7 o  442.936   6.9660  529.855   16.656  548.475   24.240  513.201   22.924  450.290   9.9621  435.581   9.7396 14.70901 13.93209 
1 1 1   -2   20    9 o  278.695   9.5055  210.085   14.315   0.0000   0.0000  210.085   14.315  ?   ?   278.695   9.5055      ?      ? 
1 1 1   -2   20   10 o  601.272   8.2504  977.824   26.798  954.039   37.346  1003.07   38.475  593.742   11.640  608.802   11.695 -15.06055 16.50076 
1 1 1   -2   20   13 o   73.252   16.992   13.342   8.1897   5.9993   11.864   20.026   11.319   61.850   24.289   84.654   23.769 -22.80361 33.98434 
1 1 1   -2   20   14 o  536.280   7.6535  776.904   22.160  746.369   30.581  810.665   32.156  525.206   10.775  547.354   10.872 -22.14740 15.30696 
1 1 1   -2   20   16 o  688.076   9.0890  1278.50   33.732  1225.84   46.029  1339.58   49.576  672.838   12.660  703.313   13.045 -30.47516 18.17806 
1 1 1   -2   20   17 f  338.458   6.8971  309.546   12.598  288.348   17.520  332.242   18.129  326.465   9.9314  350.450   9.5733 -23.98480 13.79417 
1 1 1   -2   20   18 o  499.187   7.4242  674.262   20.024  676.388   28.541  672.202   28.101  499.957   10.565  498.417   10.434 1.539917 14.84830 
1 1 1   -2   20   19 o  944.127   16.585  2418.29   84.613   0.0000   0.0000  2418.29   84.613  ?   ?   944.127   16.585      ?      ? 
1 1 1   -2   20   20 o  153.616   9.5420   63.978   7.9177   62.881   11.290   65.039   11.106  152.312   13.718  154.920   13.267 -2.608353 19.08405 
1 1 1   -2   20   21 o  484.878   7.2685  636.131   19.039  616.226   26.622  656.970   27.240  477.113   10.326  492.642   10.232 -15.52939 14.53704 
1 1 1   -2   20   22 o  137.299   15.501   51.154   11.500   0.0000   0.0000   51.154   11.500  ?   ?   137.299   15.501      ?      ? 
1 1 1   -2   20   23 o  565.982   7.8957  866.306   24.129  833.984   33.328  901.908   34.978  554.911   11.115  577.053   11.218 -22.14240 15.79149 
1 1 1   -2   20   24 o  414.581   9.5385  465.358   21.369   0.0000   0.0000  465.358   21.369  ?   ?   414.581   9.5385      ?      ? 
1 1 1   -2   20   25 o  241.706   7.2090  158.040   9.4061  163.216   13.682  153.400   12.953  245.446   10.316  237.966   10.073 7.479584 14.41797 
1 1 1   -2   20   26 o  273.097   6.9739  202.224   10.263  199.370   15.023  204.723   14.054  271.260   10.249  274.935   9.4601 -3.675323 13.94787 
1 1 1   -2   20   27 o  682.042   12.830  1263.65   47.182  1191.22   64.212  1348.65   69.559  660.942   17.979  703.143   18.307 -42.20154 25.65918 
1 1 1   -2   20   28 o  677.403   12.774  1246.20   46.631  1167.12   63.155  1340.99   69.145  653.968   17.872  700.839   18.258 -46.87024 25.54888 
1 1 1   -2   20   29 o  235.687   10.685  145.853   13.280  176.757   21.901  127.883   16.701  254.611   15.918  216.763   14.258 37.84749 21.37018 
1 1 1   -2   20   30 o  383.612   9.8261  399.158   20.369  399.158   20.369   0.0000   0.0000  383.612   9.8261  ?   ?       ?      ? 
1 1 1   -2   20   31 o  183.801   10.488   94.835   9.8424  101.355   12.329   83.378   16.343  193.088   11.816  174.514   17.331 18.57451 20.97575 
1 1 1   -2   20   32 o  336.172   7.6388  292.471   12.819  345.270   23.915  271.184   15.185  356.140   12.427  316.204   8.8870 39.93579 15.27756 
1 1 1   -2   20   33 o  121.249   11.674   42.330   7.1537   32.194   10.725   50.455   9.6018  106.493   19.350  136.005   13.065 -29.51249 23.34785 
1 1 1   -2   20   34 o  318.472   8.6855  275.344   14.947   0.0000   0.0000  275.344   14.947  ?   ?   318.472   8.6855      ?      ? 
1 1 1   -2   20   35 f  229.309   6.8004  142.844   8.3785  143.592   12.549  142.243   11.254  229.779   10.107  228.839   9.1011 0.9394379 13.60081 
1 1 1   -2   20   36 o  192.857   7.4681  101.619   7.7520   96.726   11.304  105.961   10.651  188.381   11.105  197.334   9.9882 -8.952866 14.93612 
1 1 1   -2   20   37 o  145.157   9.1886   59.072   7.0334   47.290   10.358   69.153   9.5809  131.145   14.616  159.168   11.139 -28.02342 18.37724 
1 1 1   -2   20   38 o  257.903   8.7043  180.972   12.131   0.0000   0.0000  180.972   12.131  ?   ?   257.903   8.7043      ?      ? 
1 1 1   -2   20   39 o  108.990   11.027   32.649   6.4603   34.916   9.7539   30.877   8.6228  112.258   16.079  105.721   15.094 6.536530 22.05380 
1 1 1   -2   20   40 o  142.210   8.8330   55.349   6.7332   57.145   10.257   53.990   8.9255  144.098   13.173  140.322   11.771 3.776093 17.66596 
1 1 1   -2   20   41 o  243.079   6.6094  160.762   8.6326  166.999   13.014  155.861   11.536  247.160   9.7440  238.999   8.9325 8.161758 13.21871 
1 1 1   -2   20   42 o  134.139   13.094   53.197   8.6347   57.460   10.802   45.653   14.370  143.943   13.888  124.335   22.203 19.60745 26.18847 
1 1 1   -2   20   43 o  200.021   10.401  112.136   11.165  118.829   15.255  104.414   16.386  206.914   13.644  193.129   15.701 13.78481 20.80102 
1 1 1   -2   20   44 o  109.072   16.806   35.241   9.5008   30.405   12.248   42.545   15.054  100.026   23.123  118.119   24.394 -18.09296 33.61141 
1 1 1   -2   20   45 o  159.950   11.938   72.432   10.283   68.964   13.868   76.667   15.326  155.914   16.460  163.985   17.295 -8.070969 23.87629 
1 1 1   -2   20   46 o  157.625   9.6027   67.477   7.5644   75.203   13.883   64.214   9.0211  162.880   15.773  152.369   10.957 10.51071 19.20542 
1 1 1   -2   20   47 o   46.107   13.709   0.9192   6.1588  -6.6934   9.8197   5.8555   7.9074   40.541   18.798   51.674   19.959 -11.13234 27.41721 
1 1 1   -2   20   48 o  262.420   6.5186  191.037   9.1629  176.782   13.555  203.032   12.434  252.946   9.9169  271.895   8.4631 -18.94962 13.03716 
1 1 1   -2   20   49 o   50.005   14.431   3.7861   6.1216   6.4613   9.4463   1.8493   8.0378   54.720   21.615   45.291   19.128 9.428314 28.86296 
1 1 1   -2   20   50 o  265.534   8.6040  194.440   12.345   0.0000   0.0000  194.440   12.345  ?   ?   265.534   8.6040      ?      ? 
1 1 1   -2   20   51 o  153.232   8.6578   65.495   7.0956   71.755   11.012   61.050   9.2788  159.108   12.808  147.355   11.653 11.75291 17.31562 
1 1 1   -2   20   52 o   60.988   13.487   9.8014   6.2524  -4.4689   9.6435   20.151   8.2124   41.427   18.998   80.548   19.149 -39.12108 26.97398 
1 1 1   -2   20   53 o   43.989   13.607  -0.3863   6.3843  -6.7357   10.038   3.9275   8.2735   40.044   18.714   47.934   19.759 -7.889771 27.21437 
1 1 1   -2   20   54 o  190.891   8.0385  104.810   8.1359   92.648   12.256  114.392   10.878  179.806   12.614  201.976   9.9672 -22.17012 16.07692 
1 1 1   -2   20   55 o  190.795   7.9753  104.611   8.1154   99.070   12.289  108.896   10.807  185.342   12.271  196.249   10.191 -10.90692 15.95055 
1 1 1   -2   20   56 o   95.861   14.383   29.716   7.1050   29.646   11.213   29.763   9.1841   94.102   22.378   97.619   18.076 -3.516800 28.76685 
1 1 1   -2   20   57 o   93.394   14.428   29.324   7.0146   27.727   10.791   30.493   9.2311   89.216   22.412   97.572   18.177 -8.356644 28.85657 
1 1 1   -2   20   58 o  103.707   12.932   35.145   7.0653   40.128   10.662   31.244   9.4341  111.098   17.760   96.316   18.801 14.78164 25.86303 
1 1 1   -2   20   59 o   77.984   14.957   22.703   6.8378   15.023   10.262   28.835   9.1698   63.576   23.104   92.392   19.001 -28.81649 29.91383 
1 1 1   -2   21    1 o  664.070   8.8567  1192.59   31.781   0.0000   0.0000  1192.59   31.781  ?   ?   664.070   8.8567      ?      ? 
1 1 1   -2   21    2 o  360.881   10.567  352.341   20.606   0.0000   0.0000  352.341   20.606  ?   ?   360.881   10.567      ?      ? 
1 1 1   -2   21    3 o  527.773   9.0214  742.552   24.035  786.036   42.951  722.726   29.001  538.678   14.755  516.867   10.384 21.81091 18.04283 
1 1 1   -2   21    4 f  329.341   7.1325  294.828   11.474  290.090   21.357  296.751   13.603  327.385   12.073  331.296   7.5987 -3.911591 14.26491 
1 1 1   -2   21    5 o  146.454   10.979   58.674   8.5590   47.027   12.089   70.379   12.119  131.701   16.987  161.208   13.912 -29.50697 21.95735 
1 1 1   -2   21    6 o  518.294   10.730  726.815   30.051   0.0000   0.0000  726.815   30.051  ?   ?   518.294   10.730      ?      ? 
1 1 1   -2   21    8 o  187.581   8.5149   95.513   8.6066  101.463   12.008   89.227   12.342  193.622   11.477  181.541   12.581 12.08080 17.02972 
1 1 1   -2   21    9 o  395.767   9.8230  423.738   21.007   0.0000   0.0000  423.738   21.007  ?   ?   395.767   9.8230      ?      ? 
1 1 1   -2   21   12 o  353.306   6.9200  336.696   13.186  309.208   18.147  367.442   19.192  338.067   9.9335  368.544   9.6369 -30.47696 13.83997 
1 1 1   -2   21   13 o  171.296   9.7953   78.823   8.8597  104.640   13.220   57.776   11.937  196.589   12.445  146.003   15.130 50.58536 19.59065 
1 1 1   -2   21   14 o   83.418   16.981   19.352   8.0680   20.143   11.580   18.606   11.247   84.927   24.110   81.909   23.918 3.018242 33.96119 
1 1 1   -2   21   16 o  457.016   10.080  565.289   24.892   0.0000   0.0000  565.289   24.892  ?   ?   457.016   10.080      ?      ? 
1 1 1   -2   21   18 o  259.134   7.2207  181.775   10.107  188.364   14.354  175.295   14.234  263.799   10.070  254.469   10.351 9.329254 14.44146 
1 1 1   -2   21   19 o  423.092   6.9972  484.382   15.994  471.965   22.420  497.251   22.825  417.569   9.9361  428.616   9.8548 -11.04648 13.99442 
1 1 1   -2   21   20 o  622.166   11.885  1048.87   39.957   0.0000   0.0000  1048.87   39.957  ?   ?   622.166   11.885      ?      ? 
1 1 1   -2   21   21 o  237.339   10.818  152.616   13.874   0.0000   0.0000  152.616   13.874  ?   ?   237.339   10.818      ?      ? 
1 1 1   -2   21   22 o  561.053   11.088  853.193   33.617   0.0000   0.0000  853.193   33.617  ?   ?   561.053   11.088      ?      ? 
1 1 1   -2   21   24 o  733.081   13.642  1454.84   53.756  1350.90   71.670  1588.51   81.279  703.575   18.851  762.587   19.724 -59.01208 27.28391 
1 1 1   -2   21   25 o  180.269   13.716   92.704   12.720   63.514   18.629  118.198   17.410  152.136   22.661  208.402   15.460 -56.26521 27.43197 
1 1 1   -2   21   26 o  145.421   17.603   65.088   12.533   38.514   19.462   83.919   16.383  115.499   30.668  175.343   17.291 -59.84451 35.20687 
1 1 1   -2   21   27 o  776.594   19.963  1654.50   83.774   0.0000   0.0000  1654.50   83.774  ?   ?   776.594   19.963      ?      ? 
1 1 1   -2   21   28 o  363.733   9.6404  358.858   18.948  358.858   18.948   0.0000   0.0000  363.733   9.6404  ?   ?       ?      ? 
1 1 1   -2   21   29 o   97.310   17.030   26.198   8.5775   23.552   10.575   31.284   14.664   90.613   21.852  104.007   26.127 -13.39330 34.06026 
1 1 1   -2   21   30 o  290.610   13.177  230.180   20.693   0.0000   0.0000  230.180   20.693  ?   ?   290.610   13.177      ?      ? 
1 1 1   -2   21   31 o   91.912   15.271   25.198   7.6341   16.727   12.155   30.716   9.8104   78.101   25.256  105.723   17.172 -27.62213 30.54139 
1 1 1   -2   21   32 o  508.210   8.9340  715.692   23.551  664.414   38.427  746.540   29.805  492.624   14.436  523.797   10.530 -31.17319 17.86806 
1 1 1   -2   21   33 o  206.934   10.048  116.453   11.236   0.0000   0.0000  116.453   11.236  ?   ?   206.934   10.048      ?      ? 
1 1 1   -2   21   34 o  204.470   7.4595  113.583   8.2141  117.099   12.201  110.669   11.109  207.303   10.892  201.636   10.195 5.666779 14.91906 
1 1 1   -2   21   35 o  129.152   10.225   46.023   7.0873   44.095   10.524   47.623   9.5875  126.521   15.393  131.782   13.464 -5.260521 20.44995 
1 1 1   -2   21   36 o  159.670   8.5853   70.585   7.3158   63.326   10.864   76.607   9.8956  151.875   13.238  167.466   10.935 -15.59126 17.17057 
1 1 1   -2   21   37 f   89.201   14.352   23.028   6.7116   24.449   10.250   21.962   8.8803   91.432   21.164   86.970   19.390 4.462395 28.70339 
1 1 1   -2   21   38 o  238.983   6.8191  156.305   8.7775  145.194   12.592  166.807   12.242  230.582   10.106  247.384   9.1578 -16.80150 13.63813 
1 1 1   -2   21   39 o  130.605   9.9690   46.591   6.9792   51.928   10.732   42.679   9.1876  136.916   14.505  124.294   13.679 12.62187 19.93796 
1 1 1   -2   21   40 o  120.098   13.819   41.154   8.4155   40.213   10.532   42.815   13.996  119.883   16.258  120.313   22.351 -0.4292755 27.63859 
1 1 1   -2   21   41 o   80.449   17.708   19.364   9.0195   26.081   11.908   10.324   13.814   92.866   23.662   68.031   26.352 24.83569 35.41590 
1 1 1   -2   21   42 o  288.647   9.1943  230.930   14.294  229.279   19.417  232.883   21.119  287.813   12.485  289.481   13.501 -1.668640 18.38861 
1 1 1   -2   21   43 o  246.873   10.011  170.972   13.245  173.964   17.745  167.207   19.903  249.910   13.140  243.835   15.106 6.074951 20.02135 
1 1 1   -2   21   44 o  175.657   9.0861   86.904   8.1328   83.018   13.859   88.945   10.044  171.691   14.938  179.622   10.348 -7.931549 18.17220 
1 1 1   -2   21   45 o   95.993   12.910   26.009   6.4750   35.536   10.248   19.678   8.3539  111.295   17.040   80.692   19.398 30.60257 25.81966 
1 1 1   -2   21   46 o  135.383   9.3102   51.620   6.6935   50.399   10.394   52.485   8.7492  133.512   14.407  137.254   11.797 -3.742676 18.62040 
1 1 1   -2   21   47 o  134.469   9.4075   52.191   6.6435   43.410   10.053   58.999   8.8517  123.390   15.078  145.547   11.255 -22.15753 18.81498 
1 1 1   -2   21   48 o  169.982   8.2620   82.098   7.4524   72.391   11.199   89.814   9.9840  160.153   12.940  179.812   10.275 -19.65865 16.52394 
1 1 1   -2   21   49 o  106.368   11.483   32.377   6.5202   36.419   10.227   29.608   8.4631  111.520   16.971  101.215   15.474 10.30431 22.96655 
1 1 1   -2   21   50 o   41.930   13.368  -2.6145   6.2382  -1.1086   9.9966  -3.5748   7.9833   45.599   20.260   38.261   17.447 7.337914 26.73676 
1 1 1   -2   21   51 o   52.576   14.384   2.2642   6.4143   14.985   10.231  -5.9740   8.2334   68.720   23.208   36.432   17.000 32.28850 28.76773 
1 1 1   -2   21   52 o  165.877   8.5300   77.961   7.5745   79.506   11.560   76.799   10.026  166.786   12.827  164.968   11.248 1.818466 17.05992 
1 1 1   -2   21   53 o   64.375   15.587   13.570   6.8614   7.7787   10.738   17.567   8.9201   56.080   22.740   72.669   21.324 -16.58894 31.17355 
1 1 1   -2   21   54 f  142.336   10.134   61.235   7.5160   49.392   11.384   70.386   10.007  127.923   16.469  156.750   11.814 -28.82687 20.26822 
1 1 1   -2   21   55 o  148.758   9.4735   62.864   7.5349   76.385   11.597   52.986   9.9121  162.462   13.210  135.054   13.582 27.40741 18.94699 
1 1 1   -2   21   56 o   49.465   14.442   5.1233   6.6837  -1.8567   10.236   10.311   8.8244   42.687   19.574   56.243   21.240 -13.55632 28.88453 
1 1 1   -2   21   57 o   56.557   14.987   10.214   6.6249   3.7995   10.092   15.070   8.7820   48.106   20.892   65.009   21.494 -16.90297 29.97389 
1 1 1   -2   21   58 o  137.501   10.182   57.127   7.4839   66.652   11.672   50.477   9.7527  146.650   14.729  128.353   14.061 18.29788 20.36313 
1 1 1   -2   22    1 o  261.650   12.297  185.352   17.386   0.0000   0.0000  185.352   17.386  ?   ?   261.650   12.297      ?      ? 
1 1 1   -2   22    2 o  380.065   7.9315  390.614   16.289   0.0000   0.0000  390.614   16.289  ?   ?   380.065   7.9315      ?      ? 
1 1 1   -2   22    3 o  384.782   8.5072  400.422   17.688   0.0000   0.0000  400.422   17.688  ?   ?   384.782   8.5072      ?      ? 
1 1 1   -2   22    4 o  339.324   7.9692  311.149   14.211  221.329   19.308  417.308   20.991  285.907   12.498  392.742   9.8911 -106.8355 15.93832 
1 1 1   -2   22    5 o  612.889   9.5437  1017.40   27.676  1017.57   54.412  1017.34   32.146  612.551   16.438  613.227   9.7009 -0.6761475 19.08744 
1 1 1   -2   22    6 o  615.304   12.097  1025.01   40.220   0.0000   0.0000  1025.01   40.220  ?   ?   615.304   12.097      ?      ? 
1 1 1   -2   22    9 o  390.690   7.1964  412.959   15.190  406.062   21.256  420.158   21.716  387.358   10.155  394.022   10.199 -6.663391 14.39284 
1 1 1   -2   22   10 o  201.246   8.9472  109.936   9.6974  120.513   13.737   99.427   13.692  210.940   12.051  191.552   13.228 19.38834 17.89433 
1 1 1   -2   22   11 o  270.885   10.279  198.626   15.046   0.0000   0.0000  198.626   15.046  ?   ?   270.885   10.279      ?      ? 
1 1 1   -2   22   12 o  474.416   7.3938  609.390   18.952  601.810   26.910  616.849   26.696  471.479   10.562  477.353   10.349 -5.873779 14.78765 
1 1 1   -2   22   16 o  236.674   7.7096  151.711   9.8590  152.249   14.046  151.189   13.842  237.084   10.964  236.264   10.842 0.8204956 15.41915 
1 1 1   -2   22   17 o  423.458   9.9043  485.603   22.663   0.0000   0.0000  485.603   22.663  ?   ?   423.458   9.9043      ?      ? 
1 1 1   -2   22   18 o  363.248   6.7924  357.070   13.325  340.756   18.585  374.326   19.115  354.709   9.6963  371.788   9.5145 -17.07840 13.58471 
1 1 1   -2   22   20 o   56.714   18.061  -6.3937   9.6251  -1.5079   20.481  -7.7786   10.904   69.417   29.954   44.012   20.190 25.40450 36.12279 
1 1 1   -2   22   21 o  452.838   10.650  555.487   25.981  497.973   35.640  620.721   37.956  427.849   15.415  477.826   14.700 -49.97699 21.30092 
1 1 1   -2   22   22 o  490.439   10.852  654.940   28.737  625.000   40.631  684.910   40.651  479.137   15.693  501.741   14.994 -22.60437 21.70433 
1 1 1   -2   22   23 o  343.334   10.440  323.037   19.221  298.198   28.278  344.369   26.206  330.793   15.820  355.874   13.628 -25.08084 20.88021 
1 1 1   -2   22   24 o  277.003   8.7260  206.006   12.473  200.289   15.393  216.937   21.283  271.698   10.485  282.309   13.951 -10.61063 17.45195 
1 1 1   -2   22   25 o  207.183   8.2739  116.521   9.2262  117.914   13.708  115.368   12.475  208.265   12.181  206.101   11.201 2.163406 16.54782 
1 1 1   -2   22   26 o  221.896   7.7512  134.513   9.2383  123.946   13.464  143.915   12.700  213.535   11.668  230.258   10.207 -16.72273 15.50248 
1 1 1   -2   22   27 o  279.198   6.8831  209.714   10.337  232.797   15.537  191.380   13.846  292.851   9.8180  265.546   9.6495 27.30453 13.76611 
1 1 1   -2   22   28 o  222.059   9.3050  136.184   10.663  140.566   13.366  128.514   17.685  227.362   10.879  216.756   15.099 10.60631 18.61003 
1 1 1   -2   22   29 o  455.309   8.8166  560.518   20.455  550.785   24.963  580.405   35.683  450.044   10.265  460.575   14.337 -10.53043 17.63321 
1 1 1   -2   22   30 o  354.147   7.9798  347.129   14.591  322.072   24.059  361.705   18.350  343.417   12.965  364.877   9.3068 -21.45993 15.95955 
1 1 1   -2   22   31 o  169.643   9.8232   78.948   8.6256   78.041   14.388   79.458   10.777  168.566   15.796  170.720   11.682 -2.154022 19.64635 
1 1 1   -2   22   32 o  232.698   7.2488  148.287   9.0602  136.298   13.186  159.010   12.470  223.617   10.912  241.779   9.5450 -18.16264 14.49758 
1 1 1   -2   22   33 o  395.887   9.3416  426.577   19.984   0.0000   0.0000  426.577   19.984  ?   ?   395.887   9.3416      ?      ? 
1 1 1   -2   22   34 o  323.205   6.5603  284.577   11.447  282.542   16.515  286.458   15.880  322.033   9.4908  324.377   9.0595 -2.344025 13.12058 
1 1 1   -2   22   35 o  539.673   10.741  795.818   31.323   0.0000   0.0000  795.818   31.323  ?   ?   539.673   10.741      ?      ? 
1 1 1   -2   22   36 o  108.056   12.901   33.585   7.2441   29.228   10.711   37.259   9.8347  100.176   20.477  115.937   15.698 -15.76088 25.80230 
1 1 1   -2   22   37 o  224.031   9.8322  138.395   11.870  134.369   16.111  143.176   17.556  220.616   13.515  227.446   14.284 -6.830460 19.66448 
1 1 1   -2   22   38 o   91.864   17.419   25.599   8.7867   26.532   11.604   24.347   13.452   94.062   23.018   89.666   26.151 4.396454 34.83802 
1 1 1   -2   22   39 o   60.166   17.337   5.6101   8.8230   5.9662   11.694   5.1396   13.443   59.248   23.833   61.083   25.184 -1.834641 34.67343 
1 1 1   -2   22   40 o  202.146   10.538  113.666   11.440  109.797   15.247  118.649   17.303  198.530   14.213  205.762   15.562 -7.232040 21.07559 
1 1 1   -2   22   41 o  100.939   14.774   29.954   7.5787   32.838   12.509   28.282   9.5263  103.884   22.899   97.993   18.672 5.891708 29.54725 
1 1 1   -2   22   42 o  378.824   6.7194  394.417   13.741  372.948   19.366  416.187   19.501  368.285   9.7312  389.363   9.2685 -21.07800 13.43880 
1 1 1   -2   22   43 o  306.648   6.5293  259.084   10.793  245.007   15.501  272.333   15.038  298.321   9.6157  314.974   8.8355 -16.65259 13.05863 
1 1 1   -2   22   44 o  104.477   12.234   31.296   6.7147   36.639   10.282   27.323   8.8668  112.940   16.847   96.013   17.744 16.92732 24.46764 
1 1 1   -2   22   45 o  309.752   8.8069  263.920   14.741   0.0000   0.0000  263.920   14.741  ?   ?   309.752   8.8069      ?      ? 
1 1 1   -2   22   46 o  205.022   7.3579  116.819   8.1284  115.623   11.914  117.861   11.118  203.815   10.818  206.230   9.9764 -2.414597 14.71580 
1 1 1   -2   22   47 o  190.982   7.6493  103.179   7.7601   91.551   11.654  112.441   10.401  180.514   11.948  201.449   9.5549 -20.93535 15.29857 
1 1 1   -2   22   48 o   60.340   13.886   9.6838   6.2755  -2.4607   9.6275   18.656   8.2751   43.385   19.533   77.295   19.742 -33.90918 27.77168 
1 1 1   -2   22   49 o  140.692   9.2882   55.150   6.9837   64.335   10.906   48.766   9.0921  150.264   13.432  131.121   12.832 19.14287 18.57646 
1 1 1   -2   22   50 o   62.160   14.799   9.0331   6.6256   21.401   10.208   0.0294   8.7096   80.649   22.546   43.670   19.177 36.97863 29.59838 
1 1 1   -2   22   51 o  136.939   12.804   53.692   9.4742   0.0000   0.0000   53.692   9.4742  ?   ?   136.939   12.804      ?      ? 
1 1 1   -2   22   52 o  162.505   8.9738   77.546   7.7244   69.120   11.685   84.086   10.294  153.262   14.109  171.748   11.092 -18.48532 17.94755 
1 1 1   -2   22   53 o   42.123   13.552  -2.8143   6.6483  -0.2459   10.364  -4.6104   8.6665   46.030   20.528   38.216   17.698 7.814430 27.10418 
1 1 1   -2   22   54 o   39.736   13.092  -5.3620   6.8264  -9.4837   11.011  -2.7887   8.7002   39.531   18.811   39.941   18.213 -0.4101677 26.18343 
1 1 1   -2   22   55 o  107.234   13.023   37.826   7.2307   40.933   11.491   35.789   9.3035  108.340   20.376  106.127   16.223 2.213379 26.04548 
1 1 1   -2   22   56 o  109.810   12.706   38.885   7.2534   38.487   11.112   39.181   9.5742  106.949   19.963  112.671   15.726 -5.721375 25.41258 
1 1 1   -2   22   57 o   60.863   17.968   13.754   9.2239   19.173   16.847   11.435   11.023   65.071   27.598   56.656   23.016 8.415291 35.93621 
1 1 1   -2   23    1 o  330.618   9.1132  295.779   16.281   0.0000   0.0000  295.779   16.281  ?   ?   330.618   9.1132      ?      ? 
1 1 1   -2   23    2 o  303.218   7.0831  248.636   11.606   0.0000   0.0000  248.636   11.606  ?   ?   303.218   7.0831      ?      ? 
1 1 1   -2   23    3 o  176.427   9.6576   84.241   9.2071   0.0000   0.0000   84.241   9.2071  ?   ?   176.427   9.6576      ?      ? 
1 1 1   -2   23    4 o  398.960   8.1280  430.561   17.523   0.0000   0.0000  430.561   17.523  ?   ?   398.960   8.1280      ?      ? 
1 1 1   -2   23    5 o  300.070   7.7715  247.967   12.013  229.505   19.908  258.538   15.064  291.030   12.659  309.111   9.0187 -18.08002 15.54304 
1 1 1   -2   23    6 o  383.176   7.4902  396.281   13.857  400.225   26.459  394.791   16.265  384.311   12.741  382.041   7.8789 2.270386 14.98043 
1 1 1   -2   23    7 o  368.579   7.1260  367.404   14.186  352.424   19.750  383.367   20.388  360.822   10.129  376.336   10.026 -15.51382 14.25194 
1 1 1   -2   23    8 o  484.625   7.5684  633.535   19.782  593.339   27.015  680.006   29.047  468.115   10.680  501.134   10.727 -33.01871 15.13670 
1 1 1   -2   23    9 o  203.596   8.6557  112.117   9.4904  125.605   13.734   99.789   13.130  215.315   11.804  191.877   12.663 23.43829 17.31150 
1 1 1   -2   23   10 o  201.287   11.941  109.799   12.988   0.0000   0.0000  109.799   12.988  ?   ?   201.287   11.941      ?      ? 
1 1 1   -2   23   12 f  385.565   7.0323  402.508   14.649  408.327   20.971  396.964   20.471  388.280   9.9950  382.849   9.8950 5.431427 14.06457 
1 1 1   -2   23   16 o  107.083   18.529   37.144   10.259   16.333   21.005   43.664   11.757   87.561   32.832  126.606   17.185 -39.04511 37.05782 
1 1 1   -2   23   17 o  532.392   11.375  766.728   32.621  700.000   44.192  846.622   48.355  507.090   16.128  557.695   16.046 -50.60559 22.74995 
1 1 1   -2   23   18 o  220.996   12.682  133.682   15.096  125.090   21.736  141.689   20.982  214.008   18.796  227.984   17.031 -13.97688 25.36409 
1 1 1   -2   23   19 f  252.744   11.867  175.120   16.052  166.982   24.110  181.599   21.512  247.258   18.045  258.230   15.417 -10.97153 23.73411 
1 1 1   -2   23   20 o  488.215   11.022  643.470   28.933  571.622   38.857  732.883   43.347  457.890   15.704  518.540   15.470 -60.64975 22.04399 
1 1 1   -2   23   22 o  493.131   7.4929  658.748   19.945  623.833   27.493  697.535   28.978  479.363   10.614  506.898   10.579 -27.53458 14.98586 
1 1 1   -2   23   23 o  253.539   7.2308  174.421   9.8982  164.698   13.843  184.591   14.159  246.293   10.401  260.786   10.047 -14.49295 14.46152 
1 1 1   -2   23   24 o  302.272   9.5976  247.972   15.677   0.0000   0.0000  247.972   15.677  ?   ?   302.272   9.5976      ?      ? 
1 1 1   -2   23   26 o   77.504   16.798   16.627   7.7371   20.107   11.391   13.647   10.542   83.736   23.961   71.272   23.549 12.46426 33.59550 
1 1 1   -2   23   27 o  204.475   8.2121  113.879   9.0710  110.346   12.670  117.593   12.992  201.218   11.653  207.732   11.574 -6.514511 16.42418 
1 1 1   -2   23   28 o  228.807   15.173  143.559   18.760   0.0000   0.0000  143.559   18.760  ?   ?   228.807   15.173      ?      ? 
1 1 1   -2   23   29 o  374.414   13.087  383.333   26.478  383.333   26.478   0.0000   0.0000  374.414   13.087  ?   ?       ?      ? 
1 1 1   -2   23   30 o   94.239   16.209   24.953   8.1150   32.613   12.844   19.865   10.469  105.752   23.121   82.725   22.723 23.02690 32.41788 
1 1 1   -2   23   31 o  202.378   7.7637  111.938   8.4815  109.116   12.174  114.599   11.823  199.839   11.273  204.916   10.678 -5.076523 15.52742 
1 1 1   -2   23   32 o  345.506   9.3166  325.184   17.394   0.0000   0.0000  325.184   17.394  ?   ?   345.506   9.3166      ?      ? 
1 1 1   -2   23   33 f  166.384   11.139   80.512   9.3242   89.855   11.716   64.369   15.399  181.072   11.974  151.697   18.786 29.37433 22.27782 
1 1 1   -2   23   34 o   92.073   16.663   22.343   9.1544   7.9392   11.922   43.041   14.291   62.914   24.449  121.232   22.647 -58.31769 33.32656 
1 1 1   -2   23   35 o  336.090   9.1770  311.522   16.653  312.387   23.106  310.586   24.021  336.720   12.699  335.459   13.252 1.261322 18.35406 
1 1 1   -2   23   36 o   71.065   17.028   10.450   9.4542   25.631   12.869  -7.3513   13.936   91.955   25.166   50.174   22.946 41.78155 34.05609 
1 1 1   -2   23   37 o  291.406   9.1131  233.480   14.279  221.712   19.090  248.423   21.513  283.336   12.469  299.475   13.294 -16.13913 18.22616 
1 1 1   -2   23   38 o  345.227   7.9091  330.019   14.037  322.072   23.665  334.333   17.436  340.964   12.844  349.489   9.2325 -8.525024 15.81811 
1 1 1   -2   23   39 o  176.256   8.7154   87.297   8.1803   76.139   12.090   96.719   11.109  165.260   13.538  187.252   10.979 -21.99178 17.43083 
1 1 1   -2   23   40 o  340.499   9.1685  318.153   16.870   0.0000   0.0000  318.153   16.870  ?   ?   340.499   9.1685      ?      ? 
1 1 1   -2   23   41 o   78.738   14.734   17.351   6.9023   30.494   10.563   7.5571   9.1184  100.775   20.102   56.700   21.548 44.07510 29.46873 
1 1 1   -2   23   42 o  201.218   10.196  111.909   11.086   0.0000   0.0000  111.909   11.086  ?   ?   201.218   10.196      ?      ? 
1 1 1   -2   23   43 o  188.409   7.8672   97.493   7.9466  107.614   12.205   90.045   10.470  196.628   11.487  180.190   10.753 16.43851 15.73432 
1 1 1   -2   23   44 o   49.007   14.582   1.5082   6.6791   6.6817   10.030  -2.6137   8.9529   55.978   22.222   42.036   18.889 13.94219 29.16487 
1 1 1   -2   23   45 o  250.792   9.1108  173.780   12.347   0.0000   0.0000  173.780   12.347  ?   ?   250.792   9.1108      ?      ? 
1 1 1   -2   23   46 o  188.947   7.8905   99.879   7.9623  100.848   12.241   99.168   10.483  189.234   11.971  188.659   10.283 0.5752869 15.78106 
1 1 1   -2   23   47 o   62.624   15.150   11.058   6.7403   3.2698   9.9382   17.693   9.1724   50.570   21.308   74.679   21.540 -24.10947 30.29908 
1 1 1   -2   23   48 o  166.338   8.8527   81.053   7.6738   61.905   11.381   97.012   10.391  146.441   14.383  186.235   10.325 -39.79340 17.70532 
1 1 1   -2   23   49 o  117.469   12.274   42.928   7.1543   28.075   10.230   57.144   10.009   93.717   20.749  141.222   13.116 -47.50449 24.54706 
1 1 1   -2   23   50 o   91.458   14.635   27.377   7.0066   26.863   10.754   27.756   9.2360   89.387   22.329   93.528   18.925 -4.141411 29.26996 
1 1 1   -2   23   51 f  115.214   12.415   40.189   7.4633   50.027   11.384   32.773   9.8837  128.746   16.363  101.681   18.677 27.06480 24.83080 
1 1 1   -2   23   52 o  152.971   9.4113   66.526   7.6744   75.518   12.115   60.498   9.9183  160.955   13.929  144.988   12.659 15.96684 18.82259 
1 1 1   -2   23   53 o  108.519   12.930   37.678   7.2108   36.846   11.347   38.241   9.3391  104.741   20.781  112.297   15.390 -7.555634 25.85979 
1 1 1   -2   23   54 o   81.944   15.954   24.665   7.1340   27.011   11.656   23.260   9.0208   82.948   24.386   80.941   20.579 2.006882 31.90895 
1 1 1   -2   23   55 o  153.527   16.512   87.631   11.304   72.275   20.615   94.234   13.518  130.880   29.814  176.174   14.200 -45.29338 33.02317 
1 1 1   -2   23   56 o   89.869   16.251   38.694   10.143   11.899   18.875   49.572   12.026   58.726   26.798  121.012   18.392 -62.28576 32.50181 
1 1 1   -2   24    1 o  595.476   9.5703  960.293   30.795   0.0000   0.0000  960.293   30.795  ?   ?   595.476   9.5703      ?      ? 
1 1 1   -2   24    2 o   50.827   19.919   4.1627   7.9642   0.0000   0.0000   4.1627   7.9642  ?   ?    50.827   19.919      ?      ? 
1 1 1   -2   24    3 o  161.095   10.288   70.309   8.9555   0.0000   0.0000   70.309   8.9555  ?   ?   161.095   10.288      ?      ? 
1 1 1   -2   24    4 o  425.004   8.3045  488.905   19.072   0.0000   0.0000  488.905   19.072  ?   ?   425.004   8.3045      ?      ? 
1 1 1   -2   24    5 o  556.805   9.4192  843.570   26.877  835.135   45.858  847.984   33.172  554.265   15.311  559.344   10.975 -5.079590 18.83833 
1 1 1   -2   24    6 o  682.675   10.985  1263.79   38.061  1277.25   66.542  1257.24   46.401  684.633   17.987  680.717   12.615 3.915222 21.96918 
1 1 1   -2   24    7 o  229.764   9.3128  131.741   11.082  198.333   18.958   97.176   13.658  270.329   12.978  189.199   13.360 81.13083 18.62563 
1 1 1   -2   24    8 o  201.294   8.6481  110.251   9.3781  102.579   13.448  117.513   13.084  194.419   12.801  208.170   11.632 -13.75189 17.29628 
1 1 1   -2   24    9 o  203.976   8.6542  113.036   9.5016  100.759   13.340  125.679   13.537  192.678   12.813  215.275   11.637 -22.59688 17.30830 
1 1 1   -2   24   10 o   49.477   15.409  -4.8790   8.1880   1.7945   12.069 -10.5692   11.145   56.594   23.641   42.359   19.770 14.23506 30.81820 
1 1 1   -2   24   11 f  249.010   10.770  163.696   12.400  178.333   25.740  159.273   14.150  255.633   18.634  242.387   10.803 13.24588 21.53928 
1 1 1   -2   24   12 o  379.298   11.054  391.349   22.576  393.919   33.405  389.189   30.631  380.332   16.254  378.265   14.985 2.067474 22.10780 
1 1 1   -2   24   13 o  263.744   12.628  191.038   17.802  180.518   26.797  199.347   23.816  256.984   19.297  270.503   16.293 -13.51926 25.25595 
1 1 1   -2   24   14 o   80.652   22.105   12.183   13.673   8.5203   21.568   14.644   17.681   79.872   32.283   81.431   30.203 -1.558701 44.20922 
1 1 1   -2   24   15 f  199.800   14.739  107.805   15.780  124.077   24.290   95.923   20.756  212.593   21.144  187.008   20.540 25.58492 29.47857 
1 1 1   -2   24   16 o  182.650   15.642   93.788   15.086   74.977   22.068  110.293   20.671  164.652   24.804  200.648   19.065 -35.99631 31.28414 
1 1 1   -2   24   17 o  540.289   7.9795  782.932   23.114  717.677   30.447  871.684   35.509  514.130   10.959  566.449   11.601 -52.31842 15.95892 
1 1 1   -2   24   18 o  220.099   11.238  131.594   13.366   0.0000   0.0000  131.594   13.366  ?   ?   220.099   11.238      ?      ? 
1 1 1   -2   24   19 o  208.405   8.3021  117.653   9.3271  107.049   12.803  129.644   13.615  198.412   11.942  218.398   11.537 -19.98518 16.60429 
1 1 1   -2   24   20 o  206.048   8.1632  115.237   9.0779  107.653   12.573  123.496   13.121  198.962   11.695  213.135   11.392 -14.17290 16.32632 
1 1 1   -2   24   21 o  337.790   9.6796  309.776   17.668   0.0000   0.0000  309.776   17.668  ?   ?   337.790   9.6796      ?      ? 
1 1 1   -2   24   22 o   93.937   15.855   25.438   7.9435   23.455   11.089   27.528   11.384   90.134   22.763   97.740   22.076 -7.606308 31.70943 
1 1 1   -2   24   23 o  174.260   9.1026   82.853   8.5677   81.576   11.911   84.223   12.333  172.885   12.750  175.634   12.995 -2.749207 18.20522 
1 1 1   -2   24   24 o  250.117   7.4871  170.686   10.090  162.154   14.589  178.510   13.970  244.027   11.063  256.206   10.091 -12.17929 14.97424 
1 1 1   -2   24   25 o  226.053   7.6123  138.835   9.2819  151.093   13.425  127.611   12.847  235.628   10.544  216.479   10.982 19.14876 15.22464 
1 1 1   -2   24   27 o  235.861   9.1408  153.477   11.153  156.645   13.979  147.928   18.501  239.697   10.793  232.025   14.756 7.672470 18.28159 
1 1 1   -2   24   28 o  553.999   11.139  846.481   33.324  830.856   46.144  863.513   48.177  548.802   15.560  559.196   15.944 -10.39435 22.27799 
1 1 1   -2   24   29 o  263.023   9.6708  187.237   13.547  238.063   20.465  147.590   18.074  294.570   12.857  231.475   14.450 63.09550 19.34167 
1 1 1   -2   24   30 o  214.948   10.221  126.485   11.809  119.189   15.748  135.856   17.848  208.048   14.008  221.848   14.889 -13.79967 20.44230 
1 1 1   -2   24   31 o  206.722   10.388  119.266   11.472  130.428   15.627  106.216   16.897  217.736   13.282  195.708   15.977 22.02835 20.77673 
1 1 1   -2   24   32 f  264.272   9.2802  192.673   13.206  196.239   18.044  188.559   19.380  267.145   12.500  261.400   13.720 5.745819 18.56047 
1 1 1   -2   24   33 o  113.956   15.174   38.502   9.0102   44.685   12.277   31.284   13.265  126.002   18.031  101.911   24.410 24.09024 30.34731 
1 1 1   -2   24   34 o   80.924   15.684   17.652   7.5406   31.014   11.719   8.2102   9.8510  102.131   21.892   59.716   22.466 42.41421 31.36852 
1 1 1   -2   24   35 o   47.300   14.111  -1.6146   6.7537 -10.4129   9.6099   6.9720   9.4935   37.553   17.783   57.047   21.913 -19.49390 28.22146 
1 1 1   -2   24   36 o  170.377   8.8021   80.635   8.0512   77.294   11.933   83.427   10.908  166.862   13.234  173.892   11.609 -7.030090 17.60419 
1 1 1   -2   24   37 o  165.821   8.8630   76.070   7.9230   80.427   11.705   72.385   10.764  170.115   12.733  161.526   12.332 8.589188 17.72590 
1 1 1   -2   24   38 o  143.157   9.7386   57.481   7.4618   56.162   11.274   58.509   9.9538  141.326   14.763  144.988   12.705 -3.661148 19.47715 
1 1 1   -2   24   39 o   39.236   12.924  -7.4517   6.7162 -10.7163   10.083  -4.8477   9.0047   38.184   18.121   40.288   18.432 -2.104237 25.84754 
1 1 1   -2   24   40 o  107.255   13.448   37.268   7.1540   19.927   10.809   50.786   9.5433   79.946   23.477  134.563   13.125 -54.61661 26.89673 
1 1 1   -2   24   41 o  129.743   10.517   47.329   7.3254   51.657   11.162   44.054   9.7089  134.709   15.334  124.776   14.400 9.932228 21.03500 
1 1 1   -2   24   42 o  172.551   8.5911   82.936   7.9494   87.154   12.122   79.754   10.530  176.073   12.741  169.029   11.528 7.043396 17.18223 
1 1 1   -2   24   43 o  235.473   7.2633  152.207   9.1412  166.458   14.228  142.191   11.929  244.420   10.773  226.527   9.7451 17.89317 14.52653 
1 1 1   -2   24   44 o  121.558   11.106   43.039   7.1778   41.175   11.010   44.417   9.4660  118.439   17.203  124.676   14.051 -6.236229 22.21156 
1 1 1   -2   24   45 o  295.447   9.1249  241.683   14.568   0.0000   0.0000  241.683   14.568  ?   ?   295.447   9.1249      ?      ? 
1 1 1   -2   24   46 o  197.079   8.0220  110.051   8.4573  101.305   12.539  117.350   11.455  189.188   12.266  204.969   10.342 -15.78078 16.04395 
1 1 1   -2   24   47 o  158.579   9.3901   72.539   7.9568   68.986   11.978   75.346   10.645  154.296   14.366  162.862   12.096 -8.566132 18.78012 
1 1 1   -2   24   48 o  145.779   9.7149   61.907   7.5814   57.719   11.240   65.404   10.269  140.436   14.811  151.121   12.576 -10.68498 19.42983 
1 1 1   -2   24   49 o   63.147   14.761   11.875   6.9333   0.0933   10.255   21.795   9.4100   45.844   20.434   80.450   21.308 -34.60548 29.52272 
1 1 1   -2   24   50 o   31.440   15.453 -15.8746   9.1270   0.0000   0.0000 -15.8746   9.1270  ?   ?    31.440   15.453      ?      ? 
1 1 1   -2   24   51 o   58.082   15.380   9.6630   7.0357   1.8659   11.073   14.942   9.1115   49.224   21.619   66.941   21.882 -17.71685 30.75980 
1 1 1   -2   24   52 o   76.855   15.168   23.714   7.6446   9.4098   12.247   32.845   9.7849   55.540   23.542   98.171   19.133 -42.63127 30.33628 
1 1 1   -2   24   53 o   75.813   19.044   23.352   9.5042   23.041   18.235   23.468   11.137   72.738   29.582   78.887   23.991 -6.148346 38.08764 
1 1 1   -2   24   54 o  132.199   16.567   63.512   10.502   69.707   19.113   60.833   12.569  127.689   28.431  136.709   17.014 -9.019363 33.13308 
1 1 1   -2   25    1 o  128.125   13.465   44.610   9.3223   0.0000   0.0000   44.610   9.3223  ?   ?   128.125   13.465      ?      ? 
1 1 1   -2   25    2 o  282.953   7.4614  216.701   11.408   0.0000   0.0000  216.701   11.408  ?   ?   282.953   7.4614      ?      ? 
1 1 1   -2   25    3 o  477.627   11.567  619.037   29.855   0.0000   0.0000  619.037   29.855  ?   ?   477.627   11.567      ?      ? 
1 1 1   -2   25    4 o  433.690   11.658  510.456   27.321   0.0000   0.0000  510.456   27.321  ?   ?   433.690   11.658      ?      ? 
1 1 1   -2   25    5 o  165.257   12.682   74.186   11.325   0.0000   0.0000   74.186   11.325  ?   ?   165.257   12.682      ?      ? 
1 1 1   -2   25    6 o  393.513   9.4690  419.684   20.135   0.0000   0.0000  419.684   20.135  ?   ?   393.513   9.4690      ?      ? 
1 1 1   -2   25    8 o  126.411   20.783   46.673   15.811   13.117   23.005   76.712   21.767   86.109   33.821  166.714   24.162 -80.60540 41.56505 
1 1 1   -2   25    9 o  471.633   11.650  608.973   29.593  578.829   42.932  636.261   40.848  460.244   17.263  483.022   15.650 -22.77756 23.30076 
1 1 1   -2   25   10 o  329.809   11.890  298.991   21.053  273.874   30.662  321.396   28.959  316.372   17.935  343.246   15.613 -26.87418 23.77902 
1 1 1   -2   25   11 o  214.572   14.419  128.051   16.310  118.829   25.527  134.414   21.203  207.519   22.764  221.624   17.705 -14.10425 28.83840 
1 1 1   -2   25   12 o  110.992   18.387   30.315   9.6827   24.688   11.084   48.446   19.897   92.801   22.366  129.183   29.191 -36.38204 36.77369 
1 1 1   -2   25   13 o   59.020   16.366   5.4795   7.7613   9.0285   10.576   1.3373   11.425   63.617   23.403   54.424   22.885 9.192677 32.73271 
1 1 1   -2   25   15 o  229.990   7.8699  143.740   9.7773  149.002   13.910  138.603   13.745  234.165   10.993  225.815   11.265 8.350876 15.73990 
1 1 1   -2   25   17 o  194.083   8.7563  102.664   9.1747  107.942   12.995   97.419   12.955  199.098   12.079  189.069   12.680 10.02866 17.51250 
1 1 1   -2   25   18 o  119.453   13.017   39.070   8.3758   35.702   11.342   43.109   12.421  113.824   18.441  125.083   18.377 -11.25903 26.03452 
1 1 1   -2   25   19 o  197.971   9.6923  105.522   10.159   99.549   12.965  115.022   16.350  191.008   12.561  204.934   14.765 -13.92599 19.38468 
1 1 1   -2   25   20 o  422.833   13.808  488.964   31.549   0.0000   0.0000  488.964   31.549  ?   ?   422.833   13.808      ?      ? 
1 1 1   -2   25   21 o  147.813   13.106   60.418   10.359   60.923   13.739   59.752   15.771  148.770   17.090  146.856   19.874 1.913956 26.21155 
1 1 1   -2   25   22 o  194.365   10.402  103.385   10.862  101.959   14.551  105.180   16.323  192.995   13.952  195.735   15.433 -2.740601 20.80465 
1 1 1   -2   25   23 o  251.091   9.4885  171.525   12.834  157.680   17.363  188.198   19.054  240.000   13.388  262.183   13.449 -22.18307 18.97706 
1 1 1   -2   25   24 o  262.956   9.3100  188.865   13.115  185.158   17.368  193.784   20.005  260.181   12.354  265.732   13.932 -5.551208 18.61994 
1 1 1   -2   25   25 o  221.811   9.9666  136.335   11.833  154.820   16.545  116.982   16.929  237.639   12.885  205.983   15.209 31.65623 19.93325 
1 1 1   -2   25   26 o  142.559   14.046   56.334   10.090   36.982   13.301   82.568   15.487  112.523   22.660  172.594   16.605 -60.07162 28.09276 
1 1 1   -2   25   27 o  159.363   12.028   70.266   10.320   67.365   13.900   73.829   15.404  155.841   16.506  162.885   17.501 -7.043503 24.05669 
1 1 1   -2   25   28 o  250.912   9.5357  174.646   12.810  187.230   17.418  159.820   18.906  261.209   12.340  240.614   14.541 20.59518 19.07134 
1 1 1   -2   25   29 o  316.399   7.9193  264.401   12.946  307.658   22.447  242.841   15.847  334.594   12.415  298.203   9.8347 36.39163 15.83851 
1 1 1   -2   25   30 f  222.288   7.6587  136.167   9.1482  125.137   13.272  146.153   12.627  213.460   11.506  231.116   10.111 -17.65613 15.31730 
1 1 1   -2   25   31 o   87.601   15.169   22.449   7.3895   32.573   10.842   13.665   10.099  105.593   19.726   69.608   23.050 35.98597 30.33860 
1 1 1   -2   25   32 o  262.011   9.8052  187.999   13.882   0.0000   0.0000  187.999   13.882  ?   ?   262.011   9.8052      ?      ? 
1 1 1   -2   25   33 o  163.841   9.2022   74.957   8.0738   65.370   11.622   83.900   11.224  153.305   14.030  174.377   11.912 -21.07228 18.40446 
1 1 1   -2   25   34 o  179.903   8.5289   88.959   8.2633   97.176   12.309   82.218   11.149  187.383   12.157  172.423   11.966 14.96056 17.05787 
1 1 1   -2   25   35 o  131.894   10.855   49.861   7.5855   41.346   11.131   57.246   10.365  120.545   17.088  143.242   13.391 -22.69780 21.70981 
1 1 1   -2   25   36 o   75.458   15.488   17.087   7.2921   7.5956   10.671   25.404   9.9882   59.165   23.092   91.750   20.645 -32.58519 30.97559 
1 1 1   -2   25   37 o   63.598   15.651   10.341   7.0036   17.271   10.067   3.8414   9.7493   75.165   22.799   52.031   21.448 23.13427 31.30256 
1 1 1   -2   25   38 o  230.995   10.054  147.406   12.549   0.0000   0.0000  147.406   12.549  ?   ?   230.995   10.054      ?      ? 
1 1 1   -2   25   39 o  101.920   13.708   31.145   7.2596   33.049   10.686   29.513   9.8930  104.762   19.597   99.078   19.171 5.684044 27.41510 
1 1 1   -2   25   40 o  162.445   9.0193   74.198   7.9069   74.418   11.481   74.000   10.905  162.514   13.074  162.377   12.429 0.1363220 18.03863 
1 1 1   -2   25   41 o  113.551   11.936   37.380   7.3063   41.128   10.662   34.063   10.032  119.043   16.575  108.060   17.180 10.98282 23.87234 
1 1 1   -2   25   42 o  137.188   10.198   54.426   7.4590   49.896   11.174   58.067   10.018  131.232   15.757  143.145   12.951 -11.91257 20.39649 
1 1 1   -2   25   43 o   70.430   14.427   14.744   6.9538   1.3948   10.216   26.268   9.4919   48.794   21.105   92.065   19.676 -43.27155 28.85437 
1 1 1   -2   25   44 o  139.570   10.098   55.322   7.5384   67.441   11.270   45.511   10.141  153.647   13.575  125.494   14.954 28.15341 20.19633 
1 1 1   -2   25   45 o  163.554   9.2893   77.180   8.1272   71.363   12.056   82.024   11.003  157.078   14.204  170.030   11.975 -12.95198 18.57869 
1 1 1   -2   25   46 o  145.597   10.047   62.612   7.7274   51.259   11.336   72.465   10.561  131.754   15.923  159.440   12.258 -27.68622 20.09486 
1 1 1   -2   25   47 o  152.794   9.5917   68.294   7.8960   67.452   11.559   69.030   10.812  151.421   14.127  154.167   12.978 -2.745972 19.18336 
1 1 1   -2   25   48 o  220.115   10.423  136.904   12.397   0.0000   0.0000  136.904   12.397  ?   ?   220.115   10.423      ?      ? 
1 1 1   -2   25   49 o   64.606   16.448   13.438   7.4275   10.673   10.889   15.845   10.157   60.420   23.398   68.791   23.124 -8.370682 32.89677 
1 1 1   -2   25   50 o   88.173   17.100   32.327   8.6974   21.930   18.639   35.221   9.8337   71.077   29.508  105.268   17.287 -34.19077 34.19952 
1 1 1   -2   25   51 o   61.331   17.699   13.304   9.6378   3.7432   17.930   17.189   11.429   55.674   25.668   66.988   24.376 -11.31389 35.39855 
1 1 1   -2   25   52 o   54.751   16.988   6.6316   10.167  -6.3176   18.023   12.676   12.313   49.537   23.708   59.964   24.338 -10.42666 33.97649 
1 1 1   -2   26    6 o  333.297   12.256  302.252   22.072  302.252   22.072   0.0000   0.0000  333.297   12.256  ?   ?       ?      ? 
1 1 1   -2   26    7 o  322.986   9.2234  284.573   16.072  299.549   22.562  269.144   22.900  331.716   12.587  314.256   13.485 17.46024 18.44676 
1 1 1   -2   26    8 o  457.553   9.8550  570.609   24.325  563.964   33.360  578.153   35.546  454.822   13.574  460.285   14.291 -5.462250 19.70994 
1 1 1   -2   26    9 o  479.089   10.147  624.622   26.207  599.099   35.624  654.730   38.691  468.551   14.070  489.627   14.624 -21.07648 20.29324 
1 1 1   -2   26   10 o  299.120   9.2587  244.768   14.911  259.009   20.659  229.279   21.544  308.373   12.398  289.867   13.754 18.50595 18.51731 
1 1 1   -2   26   11 o  361.243   9.1390  353.145   17.723  333.784   23.516  378.603   26.966  349.991   12.434  372.495   13.397 -22.50452 18.27800 
1 1 1   -2   26   12 o  336.018   8.9905  307.581   16.297  333.559   23.454  283.333   22.660  349.795   12.409  322.242   13.013 27.55219 17.98108 
1 1 1   -2   26   13 o  147.832   12.705   59.246   10.032   54.189   13.041   66.577   15.701  140.351   17.195  155.313   18.708 -14.96245 25.40981 
1 1 1   -2   26   14 o  106.197   16.562   33.170   9.3650   38.671   12.348   25.721   14.368  118.241   19.326   94.153   26.900 24.08746 33.12320 
1 1 1   -2   26   15 o  331.494   9.1770  300.292   16.404  303.153   22.543  297.072   23.915  333.297   12.517  329.691   13.424 3.605988 18.35398 
1 1 1   -2   26   16 o   96.434   16.586   29.008   9.4976   41.239   12.073   9.1441   15.385  122.240   18.277   70.627   27.683 51.61252 33.17242 
1 1 1   -2   26   17 o  101.009   17.497   28.958   9.8223   17.313   13.276   43.041   14.600   79.717   26.430  122.301   22.934 -42.58436 34.99341 
1 1 1   -2   26   18 o  328.516   9.2110  295.094   16.334  296.171   22.609  293.919   23.623  329.235   12.708  327.796   13.337 1.439514 18.42198 
1 1 1   -2   26   19 o  386.742   9.4761  409.458   19.797  424.099   28.221  395.270   27.780  393.599   13.269  379.886   13.533 13.71277 18.95223 
1 1 1   -2   26   20 o   59.401   17.411   2.9952   9.3335   7.4009   12.416  -2.7297   14.153   63.445   24.869   55.357   24.374 8.087952 34.82136 
1 1 1   -2   26   21 o   54.903   16.504   1.1284   8.4838   1.2020   12.929   1.0727   11.242   56.713   24.120   53.094   22.533 3.618996 33.00799 
1 1 1   -2   26   22 o  125.840   13.435   44.430   8.7913   55.586   13.017   35.076   11.920  141.547   17.019  110.133   20.792 31.41361 26.86948 
1 1 1   -2   26   23 o   74.392   16.279   15.193   7.6254   22.499   10.787   7.8959   10.781   87.505   22.641   61.279   23.396 26.22593 32.55736 
1 1 1   -2   26   24 o   66.059   16.135   9.4792   7.6456   19.139   11.138   0.8702   10.514   81.007   23.843   51.110   21.744 29.89653 32.26972 
1 1 1   -2   26   25 o   63.073   17.569   7.3280   8.4024   6.8429   10.277   8.3063   14.594   58.711   22.732   67.435   26.793 -8.724030 35.13717 
1 1 1   -2   26   26 o   93.886   14.912   25.594   7.7447   36.800   11.147   15.138   10.768  114.620   17.998   73.153   23.781 41.46741 29.82406 
1 1 1   -2   26   27 o  150.546   10.378   62.884   8.3794   62.973   12.642   62.814   11.191  150.396   15.555  150.695   13.743 -0.2993927 20.75665 
1 1 1   -2   26   28 o   63.669   16.466   10.096   7.3878   10.167   10.358   10.023   10.540   63.676   23.200   63.661   23.372 0.1504517E-01 32.93169 
1 1 1   -2   26   29 o   35.007   12.076 -18.4121   7.4717 -21.3845   10.806 -15.6892   10.342   34.048   16.750   35.965   17.400 -1.917187 24.15197 
1 1 1   -2   26   30 f  102.740   14.059   30.786   7.5856   21.107   10.427   41.669   11.056   83.810   22.535  121.670   16.816 -37.86015 28.11790 
1 1 1   -2   26   31 o   76.191   15.174   15.829   7.2819   5.0302   9.9031   28.540   10.745   54.595   21.943   97.788   20.964 -43.19316 30.34725 
1 1 1   -2   26   32 o  208.298   8.1438  119.682   9.1460  124.314   13.481  115.731   12.449  211.917   11.773  204.680   11.256 7.236099 16.28764 
1 1 1   -2   26   33 o   64.664   16.064   11.375   7.0532   8.3743   10.034   14.305   9.9161   59.521   22.608   69.807   22.828 -10.28587 32.12859 
1 1 1   -2   26   34 o  212.172   7.9137  124.690   9.0543  123.591   13.199  125.668   12.444  211.112   11.570  213.231   10.800 -2.118881 15.82730 
1 1 1   -2   26   35 o   44.887   14.065  -2.5737   6.9019  -6.9238   9.6121   2.0564   9.9166   39.856   18.521   49.917   21.173 -10.06071 28.12995 
1 1 1   -2   26   36 o  247.769   10.214  169.732   13.675   0.0000   0.0000  169.732   13.675  ?   ?   247.769   10.214      ?      ? 
1 1 1   -2   26   37 o  103.288   13.686   32.754   7.3512   16.714   10.176   50.260   10.631   73.576   23.031  133.001   14.792 -59.42434 27.37230 
1 1 1   -2   26   38 o  134.613   10.596   51.654   7.6945   53.861   11.293   49.742   10.512  137.167   15.236  132.059   14.731 5.107407 21.19296 
1 1 1   -2   26   39 o   72.392   16.434   16.407   7.2775   17.465   10.635   15.475   9.9803   74.269   23.583   70.514   22.894 3.754539 32.86805 
1 1 1   -2   26   40 f   38.462   12.878  -9.8939   7.1916 -13.9255   10.462  -6.2821   9.9022   36.395   17.582   40.528   18.821 -4.132523 25.75556 
1 1 1   -2   26   41 o   77.160   16.366   19.191   7.3457   19.176   10.968   19.204   9.8919   76.919   23.883   77.402   22.382 -0.4832916 32.73174 
1 1 1   -2   26   42 o   67.022   16.062   13.754   7.3378   7.1545   10.924   19.179   9.9046   56.989   22.997   77.054   22.430 -20.06461 32.12369 
1 1 1   -2   26   43 o  187.067   8.4852   98.637   8.5483  108.781   12.713   90.266   11.549  195.773   12.017  178.361   11.982 17.41187 16.97046 
1 1 1   -2   26   44 o   55.583   15.447   6.5657   7.2992  -1.0404   10.709   13.164   9.9749   46.420   20.773   64.747   22.867 -18.32684 30.89358 
1 1 1   -2   26   45 o  214.410   10.335  130.071   11.974   0.0000   0.0000  130.071   11.974  ?   ?   214.410   10.335      ?      ? 
1 1 1   -2   26   46 o   96.979   15.123   31.552   7.7304   26.311   11.333   36.113   10.571   87.230   23.511  106.728   19.028 -19.49741 30.24584 
1 1 1   -2   26   47 o   84.816   14.506   24.215   7.4798   9.9979   10.935   36.715   10.254   59.531   23.338  110.100   17.235 -50.56886 29.01180 
1 1 1   -2   26   48 o  109.204   16.621   52.196   11.526   12.189   19.347   74.212   14.352   64.397   28.418  154.012   17.245 -89.61425 33.24125 
1 1 1   -2   26   49 o   67.748   18.417   19.778   10.269   7.9189   19.612   24.257   12.053   58.399   26.896   77.096   25.166 -18.69628 36.83315 
1 1 1   -2   26   50 o   57.409   18.071   6.4232   10.202   14.950   19.305   3.1194   12.017   64.951   28.535   49.866   22.181 15.08531 36.14226 
1 1 1   -2   26   51 o   73.144   16.832   21.849   7.6297   22.745   10.933   20.999   10.653   74.502   23.939   71.786   23.669 2.715477 33.66445 
1 1 1   -2   27    1 o  117.336   13.221   37.609   8.3824   0.0000   0.0000   37.609   8.3824  ?   ?   117.336   13.221      ?      ? 
1 1 1   -2   27    2 o  277.864   9.2693  209.740   13.918   0.0000   0.0000  209.740   13.918  ?   ?   277.864   9.2693      ?      ? 
1 1 1   -2   27    3 o  154.367   10.913   64.870   9.1030   0.0000   0.0000   64.870   9.1030  ?   ?   154.367   10.913      ?      ? 
1 1 1   -2   27    4 o  286.200   9.1386  222.490   14.133   0.0000   0.0000  222.490   14.133  ?   ?   286.200   9.1386      ?      ? 
1 1 1   -2   27    5 o  232.073   9.0278  146.275   11.321   0.0000   0.0000  146.275   11.321  ?   ?   232.073   9.0278      ?      ? 
1 1 1   -2   27    6 o   79.094   19.147   17.973   8.0959   0.0000   0.0000   17.973   8.0959  ?   ?    79.094   19.147      ?      ? 
1 1 1   -2   27    7 o  240.638   8.0142  153.332   9.8502  171.149   17.385  144.907   11.954  250.365   12.850  230.911   9.5806 19.45488 16.02849 
1 1 1   -2   27    8 o  105.860   13.229   29.532   7.1945   39.662   12.196   24.126   8.9099  119.804   18.839   91.916   18.578 27.88858 26.45850 
1 1 1   -2   27    9 o  244.911   7.4765  161.552   9.1835  167.748   16.528  158.785   11.045  247.956   12.336  241.866   8.4511 6.089615 14.95294 
1 1 1   -2   27   10 o  395.017   7.2708  424.396   15.514  429.112   22.278  419.956   21.618  397.120   10.382  392.914   10.182 4.206451 14.54150 
1 1 1   -2   27   11 o  227.835   8.0583  142.034   9.8742  148.813   13.539  134.329   14.432  233.781   10.717  221.889   12.037 11.89194 16.11660 
1 1 1   -2   27   13 o  104.274   14.736   31.338   8.0090   32.332   11.189   30.293   11.470  106.163   20.242  102.384   21.420 3.779289 29.47103 
1 1 1   -2   27   14 o   99.761   14.797   27.470   7.9260   17.063   10.472   41.425   12.127   77.299   23.210  122.223   18.362 -44.92352 29.59493 
1 1 1   -2   27   15 o  115.445   13.611   37.429   8.2418   44.319   12.113   31.488   11.247  126.438   17.729  104.451   20.658 21.98734 27.22234 
1 1 1   -2   27   16 f  201.942   8.5221  111.477   9.2923  105.492   12.943  117.844   13.349  196.321   12.200  207.562   11.902 -11.24057 17.04424 
1 1 1   -2   27   17 o   85.592   16.360   21.694   7.8054   24.642   10.489   18.036   11.684   91.835   21.514   79.348   24.653 12.48750 32.72026 
1 1 1   -2   27   18 o  164.606   9.8798   74.512   8.7850   76.837   12.603   72.315   12.252  167.105   13.957  162.107   13.987 4.998077 19.75951 
1 1 1   -2   27   19 f  313.348   10.099  267.918   17.099   0.0000   0.0000  267.918   17.099  ?   ?   313.348   10.099      ?      ? 
1 1 1   -2   27   20 o  183.018   9.1024   91.748   8.9874   85.163   12.367   99.118   13.084  176.048   13.000  189.988   12.744 -13.93944 18.20472 
1 1 1   -2   27   21 o  202.836   8.4881  112.951   9.2259   94.806   12.827  132.402   13.280  185.738   12.780  219.934   11.174 -34.19614 16.97611 
1 1 1   -2   27   22 o  140.375   10.907   54.863   8.2216   47.965   11.626   61.764   11.628  131.279   16.388  149.470   14.397 -18.19077 21.81412 
1 1 1   -2   27   23 o  152.958   10.157   64.521   8.3764   59.500   11.432   70.342   12.308  146.542   14.437  159.373   14.292 -12.83180 20.31492 
1 1 1   -2   27   24 o  315.856   8.2718  268.145   13.542  253.343   16.717  296.396   23.095  304.150   10.171  327.563   13.048 -23.41281 16.54367 
1 1 1   -2   27   25 o  259.467   10.551  184.677   14.793   0.0000   0.0000  184.677   14.793  ?   ?   259.467   10.551      ?      ? 
1 1 1   -2   27   26 o   77.298   17.000   16.934   7.9092   22.883   12.101   12.497   10.450   86.965   24.632   67.630   23.438 19.33498 34.00094 
1 1 1   -2   27   27 f   80.599   16.525   19.502   7.6133   19.660   10.590   19.333   10.953   80.914   23.086   80.283   23.649 0.6305771 33.04918 
1 1 1   -2   27   28 o   79.995   15.586   18.927   7.5228   28.733   10.615   9.0335   10.663   98.206   20.658   61.783   23.344 36.42352 31.17232 
1 1 1   -2   27   29 o  210.245   8.1538  121.613   9.2368  130.872   13.711  113.919   12.498  217.476   11.668  203.013   11.393 14.46315 16.30754 
1 1 1   -2   27   30 o  149.389   10.102   62.359   8.0897   73.682   11.810   52.350   11.104  162.430   13.455  136.348   15.071 26.08098 20.20326 
1 1 1   -2   27   31 o  168.157   9.4160   79.404   8.5096   73.829   12.386   84.388   11.711  162.186   14.133  174.129   12.446 -11.94267 18.83202 
1 1 1   -2   27   32 o   76.094   15.925   17.453   7.1723   12.513   9.8795   22.957   10.429   66.018   22.794   86.170   22.245 -20.15254 31.84999 
1 1 1   -2   27   33 o  238.176   10.684  157.163   13.750   0.0000   0.0000  157.163   13.750  ?   ?   238.176   10.684      ?      ? 
1 1 1   -2   27   34 o  249.110   7.4391  172.020   10.006  168.309   14.330  175.552   13.978  246.341   10.765  251.878   10.270 -5.537338 14.87818 
1 1 1   -2   27   35 o  133.702   10.807   51.215   7.7846   48.171   11.184   54.076   10.842  129.496   15.983  137.907   14.549 -8.411118 21.61311 
1 1 1   -2   27   36 o   56.474   16.041   5.8051   7.6841   1.0012   10.756   10.813   10.982   49.767   21.590   63.180   23.730 -13.41325 32.08206 
1 1 1   -2   27   37 o  115.243   12.076   38.840   7.5129   40.815   10.660   36.891   10.590  118.363   16.667  112.123   17.478 6.239410 24.15154 
1 1 1   -2   27   38 o  128.993   11.126   48.593   7.6776   41.787   10.964   55.141   10.754  119.324   17.005  138.662   14.353 -19.33878 22.25225 
1 1 1   -2   27   39 o  303.298   9.7190  255.523   15.929   0.0000   0.0000  255.523   15.929  ?   ?   303.298   9.7190      ?      ? 
1 1 1   -2   27   40 o  107.934   13.630   36.124   7.6566   29.944   11.082   41.767   10.591   96.659   21.744  119.210   16.441 -22.55143 27.25986 
1 1 1   -2   27   41 o  136.088   11.028   53.475   8.0383   64.190   12.190   45.230   10.693  148.222   15.219  123.955   15.964 24.26694 22.05597 
1 1 1   -2   27   42 o  267.994   9.6484  200.764   13.972   0.0000   0.0000  200.764   13.972  ?   ?   267.994   9.6484      ?      ? 
1 1 1   -2   27   43 o   58.634   16.027   10.074   7.2400   11.824   10.326   8.3809   10.154   61.326   23.015   55.941   22.311 5.385437 32.05403 
1 1 1   -2   27   44 o  175.846   9.1839   88.635   8.6820  101.091   13.018   78.655   11.652  186.955   12.886  164.736   13.089 22.21916 18.36785 
1 1 1   -2   27   45 o   91.675   18.778   32.347   9.6884   24.077   20.238   34.805   11.035   79.398   31.551  103.953   20.373 -24.55519 37.55666 
1 1 1   -2   27   46 o   95.905   19.818   38.258   11.114   32.230   19.373   41.216   13.570   84.403   31.554  107.408   23.986 -23.00501 39.63555 
1 1 1   -2   27   47 o  112.676   17.833   59.392   11.587   30.563   20.593   72.748   14.017   75.632   31.175  149.719   17.325 -74.08705 35.66531 
1 1 1   -2   27   48 f   39.576   13.412 -11.5893   8.0862 -19.1598   10.667  -1.3631   12.398   32.576   16.140   46.576   21.426 -13.99999 26.82463 
1 1 1   -2   27   49 o   57.890   15.778   11.449   7.3284   18.460   10.621   5.0789   10.124   67.584   23.617   48.196   20.928 19.38761 31.55555 
1 1 1   -2   28    1 o  141.982   11.946   55.075   9.1654   0.0000   0.0000   55.075   9.1654  ?   ?   141.982   11.946      ?      ? 
1 1 1   -2   28    2 o  273.541   9.1726  203.504   13.558   0.0000   0.0000  203.504   13.558  ?   ?   273.541   9.1726      ?      ? 
1 1 1   -2   28    3 o  194.176   8.9678  102.522   9.4095   0.0000   0.0000  102.522   9.4095  ?   ?   194.176   8.9678      ?      ? 
1 1 1   -2   28    4 o  175.516   9.6576   83.858   9.1595   0.0000   0.0000   83.858   9.1595  ?   ?   175.516   9.6576      ?      ? 
1 1 1   -2   28    5 o  102.026   15.301   28.664   8.4358   0.0000   0.0000   28.664   8.4358  ?   ?   102.026   15.301      ?      ? 
1 1 1   -2   28    6 o  141.720   10.925   54.808   8.3665   0.0000   0.0000   54.808   8.3665  ?   ?   141.720   10.925      ?      ? 
1 1 1   -2   28    7 o  380.274   9.1620  393.519   18.827   0.0000   0.0000  393.519   18.827  ?   ?   380.274   9.1620      ?      ? 
1 1 1   -2   28    8 o  151.201   10.450   66.154   7.8175   54.234   13.452   72.232   9.6060  139.746   17.814  162.656   10.929 -22.91014 20.89946 
1 1 1   -2   28    9 o   80.134   16.101   19.031   7.1059   15.723   12.623   20.566   8.5977   76.017   25.777   84.251   19.300 -8.234642 32.20156 
1 1 1   -2   28   10 o   42.285   13.797  -7.2294   6.4617  -2.5405   12.286  -9.0223   7.5973   51.432   22.674   33.139   15.727 18.29325 27.59469 
1 1 1   -2   28   11 o  346.284   10.068  327.067   18.839   0.0000   0.0000  327.067   18.839  ?   ?   346.284   10.068      ?      ? 
1 1 1   -2   28   12 o   67.809   17.180   11.569   7.9781   11.796   10.883   11.306   11.730   67.712   23.889   67.905   24.697 -0.1920547 34.35992 
1 1 1   -2   28   13 o  237.975   7.7705  154.581   9.9844  146.833   13.837  162.997   14.421  231.749   11.049  244.202   10.929 -12.45386 15.54098 
1 1 1   -2   28   14 o   55.330   15.808   3.8587   7.5072   7.9085   10.194  -0.9407   11.097   60.317   22.817   50.343   21.885 9.973438 31.61612 
1 1 1   -2   28   15 o   79.194   16.041   16.828   8.0930   4.8734   11.214   29.821   11.691   57.596   23.279  100.793   22.077 -43.19636 32.08266 
1 1 1   -2   28   16 o   80.092   16.537   18.345   7.7291   13.483   10.538   24.006   11.371   70.130   23.554   90.054   23.218 -19.92425 33.07358 
1 1 1   -2   28   17 o   84.386   16.732   20.910   7.8796   19.840   10.433   22.330   12.023   82.038   22.743   86.734   24.547 -4.695671 33.46333 
1 1 1   -2   28   19 o  108.990   14.235   34.424   8.1726   31.216   11.746   37.435   11.379  102.698   21.837  115.283   18.266 -12.58475 28.46975 
1 1 1   -2   28   20 o  117.395   13.149   39.769   8.0597   44.585   11.194   34.585   11.614  126.204   16.414  108.585   20.546 17.61960 26.29761 
1 1 1   -2   28   21 o  169.968   9.4638   79.605   8.6624   71.094   11.845   89.390   12.701  160.154   13.687  179.783   13.074 -19.62822 18.92759 
1 1 1   -2   28   22 o  150.625   14.312   63.092   11.649   63.092   11.649   0.0000   0.0000  150.625   14.312  ?   ?       ?      ? 
1 1 1   -2   28   23 o   73.734   17.880   15.603   8.6896   18.756   10.768   9.7185   14.714   79.205   23.480   68.264   26.973 10.94083 35.76068 
1 1 1   -2   28   24 o  208.519   12.165  120.216   13.708   0.0000   0.0000  120.216   13.708  ?   ?   208.519   12.165      ?      ? 
1 1 1   -2   28   25 o  150.385   10.803   63.673   8.7578   59.977   12.538   67.194   12.238  145.872   15.907  154.898   14.621 -9.025253 21.60549 
1 1 1   -2   28   26 o  146.758   10.469   60.268   8.1954   48.233   11.205   74.112   12.018  130.642   15.872  162.874   13.655 -32.23137 20.93751 
1 1 1   -2   28   27 o   68.421   16.397   12.627   7.5594   6.4086   10.450   19.452   10.949   57.127   22.681   79.716   23.686 -22.58938 32.79406 
1 1 1   -2   28   28 o   49.896   14.880  -0.3998   7.4511   7.9518   10.261  -9.7181   10.838   58.992   22.749   40.800   19.187 18.19251 29.76046 
1 1 1   -2   28   29 o   63.425   16.568   10.332   7.6682   14.126   10.732   6.3740   10.961   69.380   23.767   57.470   23.089 11.90982 33.13609 
1 1 1   -2   28   30 o  188.005   8.8014   98.696   8.9307   92.193   12.441  105.611   12.828  181.500   12.685  194.509   12.205 -13.00894 17.60284 
1 1 1   -2   28   31 o  257.473   10.371  183.510   14.429   0.0000   0.0000  183.510   14.429  ?   ?   257.473   10.371      ?      ? 
1 1 1   -2   28   32 o   57.351   14.735   2.5324   7.3544 -12.0118   10.097   18.970   10.734   37.038   17.731   77.664   23.539 -40.62587 29.46945 
1 1 1   -2   28   33 o   59.781   16.345   8.8085   7.5056   8.8301   10.689   8.7875   10.542   59.901   23.186   59.661   23.045 0.2394295 32.69019 
1 1 1   -2   28   34 o  173.799   9.1484   85.394   8.5910   84.571   12.189   86.207   12.110  172.902   13.046  174.696   12.829 -1.794098 18.29684 
1 1 1   -2   28   35 o  205.406   11.958  118.790   13.273   0.0000   0.0000  118.790   13.273  ?   ?   205.406   11.958      ?      ? 
1 1 1   -2   28   36 o  107.900   14.137   35.865   7.9266   34.514   10.843   37.415   11.617  105.880   19.675  109.920   20.307 -4.039482 28.27497 
1 1 1   -2   28   37 o  152.656   10.399   67.560   8.4368   53.950   11.857   81.515   12.007  136.008   16.134  169.304   13.124 -33.29506 20.79772 
1 1 1   -2   28   38 o   42.744   13.922  -5.3256   7.5010  -8.8586   10.621  -1.8098   10.595   39.808   18.804   45.679   20.535 -5.871059 27.84399 
1 1 1   -2   28   39 o  119.551   12.396   43.109   7.7164   35.236   10.693   51.666   11.147  106.346   19.318  132.756   15.538 -26.40984 24.79201 
1 1 1   -2   28   40 o   63.079   16.333   12.242   7.3439   9.4536   10.265   15.167   10.511   58.338   22.682   67.821   23.506 -9.483448 32.66528 
1 1 1   -2   28   41 o  250.524   7.6720  178.804   10.321  176.048   15.390  181.057   13.915  248.009   11.484  253.039   10.176 -5.030273 15.34408 
1 1 1   -2   28   42 o   48.403   15.074   1.2500   7.6694   0.2583   11.063   2.1675   10.641   47.758   21.261   49.048   21.375 -1.290344 30.14844 
1 1 1   -2   28   43 o  135.206   17.376   62.207   11.892   60.563   19.394   63.198   15.055  128.296   28.694  142.116   19.604 -13.81998 34.75143 
1 1 1   -2   28   44 o   86.846   20.950   31.185   11.409   40.743   19.146   25.923   14.206   93.918   31.748   79.773   27.345 14.14500 41.90082 
1 1 1   -2   28   45 o   77.115   20.358   22.557   11.200   47.568   19.926   11.005   13.542   96.241   32.388   57.988   24.674 38.25269 40.71629 
1 1 1   -2   28   46 o   75.974   24.281   22.041   11.259   22.041   11.259   0.0000   0.0000   75.974   24.281  ?   ?       ?      ? 
1 1 1   -2   28   47 o   93.912   14.640   32.206   7.7738   48.437   11.334   17.786   10.683  121.425   17.273   66.400   23.642 55.02470 29.27980 
1 1 1   -2   29    1 o  211.574   9.2368  121.979   10.560   0.0000   0.0000  121.979   10.560  ?   ?   211.574   9.2368      ?      ? 
1 1 1   -2   29    2 o  120.310   13.103   39.783   8.5187   0.0000   0.0000   39.783   8.5187  ?   ?   120.310   13.103      ?      ? 
1 1 1   -2   29    3 o  346.133   9.1796  326.456   17.169   0.0000   0.0000  326.456   17.169  ?   ?   346.133   9.1796      ?      ? 
1 1 1   -2   29    4 o  225.635   8.4481  138.551   10.300   0.0000   0.0000  138.551   10.300  ?   ?   225.635   8.4481      ?      ? 
1 1 1   -2   29    5 o  333.127   7.3111  301.473   13.161   0.0000   0.0000  301.473   13.161  ?   ?   333.127   7.3111      ?      ? 
1 1 1   -2   29    6 o  140.381   11.130   53.927   8.4428   0.0000   0.0000   53.927   8.4428  ?   ?   140.381   11.130      ?      ? 
1 1 1   -2   29    7 o  160.109   9.8298   69.964   8.5045   0.0000   0.0000   69.964   8.5045  ?   ?   160.109   9.8298      ?      ? 
1 1 1   -2   29    8 o   61.911   20.467   10.450   7.9634   0.0000   0.0000   10.450   7.9634  ?   ?    61.911   20.467      ?      ? 
1 1 1   -2   29    9 o  319.983   7.2694  275.887   11.292  288.964   21.530  270.925   13.263  324.353   12.284  315.613   7.7766 8.739319 14.53879 
1 1 1   -2   29   10 o  234.782   7.5439  150.074   8.8527  152.928   15.948  148.803   10.643  235.823   12.515  233.740   8.4263 2.082733 15.08771 
1 1 1   -2   29   11 o  261.697   7.3499  188.484   9.6488  184.414   17.091  190.388   11.690  258.983   12.212  264.410   8.1819 -5.427338 14.69976 
1 1 1   -2   29   12 o   51.547   15.358   1.8482   7.2478   2.0026   9.6213   1.6455   11.021   50.279   21.064   52.815   22.357 -2.536209 30.71666 
1 1 1   -2   29   13 o  216.452   11.196  128.631   13.095   0.0000   0.0000  128.631   13.095  ?   ?   216.452   11.196      ?      ? 
1 1 1   -2   29   14 o  147.221   15.017   60.319   11.947   0.0000   0.0000   60.319   11.947  ?   ?   147.221   15.017      ?      ? 
1 1 1   -2   29   15 o   93.570   15.016   26.632   7.6496   33.570   10.226   17.817   11.526  109.253   17.322   77.887   24.533 31.36606 30.03181 
1 1 1   -2   29   16 o  209.442   8.2373  120.907   9.3100  124.673   12.975  116.910   13.366  212.930   11.277  205.954   12.010 6.976105 16.47451 
1 1 1   -2   29   17 o   48.874   15.056  -2.0637   7.7165  -8.1126   10.997   3.8038   10.831   42.892   19.889   54.857   22.609 -11.96523 30.11249 
1 1 1   -2   29   18 o  180.526   9.2890   91.302   8.9520  102.689   12.338   78.642   13.009  192.971   11.832  168.082   14.323 24.88892 18.57805 
1 1 1   -2   29   20 o  209.102   8.3763  121.100   9.4405  112.495   13.443  129.474   13.261  201.556   12.342  216.647   11.327 -15.09158 16.75250 
1 1 1   -2   29   21 o   65.761   16.946   10.896   7.9733   6.6480   11.093   15.436   11.468   58.672   23.345   72.850   24.571 -14.17817 33.89244 
1 1 1   -2   29   22 o   56.549   16.413   4.9093   8.0002   7.5744   9.9464   0.0256   13.464   58.166   22.408   54.933   23.989 3.233192 32.82663 
1 1 1   -2   29   23 o  248.136   11.620  170.569   15.580   0.0000   0.0000  170.569   15.580  ?   ?   248.136   11.620      ?      ? 
1 1 1   -2   29   24 o   61.303   16.340   6.7475   8.0359  -2.2059   11.059   16.762   11.697   47.808   21.272   74.798   24.809 -26.98923 32.67971 
1 1 1   -2   29   25 o  129.313   11.888   47.826   8.3025   45.797   11.585   49.969   11.905  126.432   16.957  132.194   16.666 -5.761925 23.77555 
1 1 1   -2   29   26 o  140.978   15.784   56.650   12.024   0.0000   0.0000   56.650   12.024  ?   ?   140.978   15.784      ?      ? 
1 1 1   -2   29   28 o  176.684   9.1927   87.672   8.7712   91.519   12.451   83.882   12.358  180.658   12.754  172.711   13.242 7.947021 18.38531 
1 1 1   -2   29   29 o  231.423   8.0499  149.389   10.056  140.866   14.144  158.101   14.301  224.572   11.655  238.273   11.107 -13.70041 16.09974 
1 1 1   -2   29   30 o  228.135   11.408  145.434   14.064   0.0000   0.0000  145.434   14.064  ?   ?   228.135   11.408      ?      ? 
1 1 1   -2   29   31 o  268.858   10.610  201.392   15.414   0.0000   0.0000  201.392   15.414  ?   ?   268.858   10.610      ?      ? 
1 1 1   -2   29   32 f  191.937   8.7856  104.050   9.1107  104.306   12.783  103.786   12.989  192.258   12.304  191.617   12.544 0.6407776 17.57121 
1 1 1   -2   29   33 o  275.075   10.061  210.624   14.955   0.0000   0.0000  210.624   14.955  ?   ?   275.075   10.061      ?      ? 
1 1 1   -2   29   34 o   72.772   16.229   16.757   7.5288   22.961   10.380   9.8706   10.936   84.466   22.383   61.077   23.505 23.38840 32.45773 
1 1 1   -2   29   35 o  169.217   13.265   81.892   12.130   0.0000   0.0000   81.892   12.130  ?   ?   169.217   13.265      ?      ? 
1 1 1   -2   29   36 o   58.106   16.380   8.0724   7.7467   5.5906   10.486   11.055   11.495   53.763   22.211   62.450   24.080 -8.687256 32.75932 
1 1 1   -2   29   37 o   82.804   16.311   22.508   7.9318   32.095   11.634   14.181   10.842   98.908   22.300   66.700   23.810 32.20809 32.62256 
1 1 1   -2   29   38 o  130.348   11.973   51.640   8.4155   51.794   12.291   51.503   11.546  130.045   17.491  130.650   16.355 -0.6051025 23.94601 
1 1 1   -2   29   39 o   79.893   16.394   20.898   8.0849   34.054   12.221   10.660   10.781   99.852   23.108   59.934   23.262 39.91803 32.78823 
1 1 1   -2   29   40 o   98.593   21.596   38.039   12.463   39.595   20.763   37.162   15.583   96.935   33.059  100.252   27.797 -3.316612 43.19251 
1 1 1   -2   29   41 o   58.189   18.393   3.5156   11.454   7.5045   18.761   1.1450   14.463   62.955   27.873   53.423   24.007 9.531960 36.78601 
1 1 1   -2   29   42 o   58.632   17.826   8.8212   11.275  -8.0180   18.393   18.957   14.270   49.250   23.670   68.014   26.661 -18.76365 35.65224 
1 1 1   -2   29   43 o   64.291   16.259   14.501   7.8720   23.075   10.943   5.3061   11.332   77.599   23.817   50.983   22.140 26.61606 32.51789 
1 1 1   -2   29   44 o   41.026   13.491  -5.1649   7.3931 -11.5605   10.313   1.5970   10.604   35.651   17.278   46.402   20.724 -10.75110 26.98210 
1 1 1   -2   29   45 o  120.674   12.357   48.161   8.0439   51.493   11.492   44.959   11.264  125.413   16.957  115.935   17.979 9.478180 24.71420 
1 1 1   -2   30    1 o  113.932   13.305   35.910   8.1911   0.0000   0.0000   35.910   8.1911  ?   ?   113.932   13.305      ?      ? 
1 1 1   -2   30    2 o  274.634   13.875  209.091   20.591   0.0000   0.0000  209.091   20.591  ?   ?   274.634   13.875      ?      ? 
1 1 1   -2   30    3 o  151.579   10.614   63.028   8.6936   0.0000   0.0000   63.028   8.6936  ?   ?   151.579   10.614      ?      ? 
1 1 1   -2   30    4 o  137.614   11.308   52.059   8.4091   0.0000   0.0000   52.059   8.4091  ?   ?   137.614   11.308      ?      ? 
1 1 1   -2   30    5 o  114.991   13.463   36.615   8.3655   0.0000   0.0000   36.615   8.3655  ?   ?   114.991   13.463      ?      ? 
1 1 1   -2   30    6 o  137.246   11.530   51.829   8.5508   0.0000   0.0000   51.829   8.5508  ?   ?   137.246   11.530      ?      ? 
1 1 1   -2   30    7 o  210.983   8.3092  121.428   9.4731   0.0000   0.0000  121.428   9.4731  ?   ?   210.983   8.3092      ?      ? 
1 1 1   -2   30    8 o  374.500   9.1077  383.371   18.431   0.0000   0.0000  383.371   18.431  ?   ?   374.500   9.1077      ?      ? 
1 1 1   -2   30    9 o  170.480   8.4602   82.239   7.4196   72.523   12.118   88.065   9.3842  161.622   13.875  179.339   9.6835 -17.71751 16.92040 
1 1 1   -2   30   10 o  141.111   9.9751   54.820   7.3121   57.320   12.251   53.437   9.1134  143.066   15.847  139.156   12.120 3.909805 19.95021 
1 1 1   -2   30   11 o   43.326   13.806  -3.4095   6.6652  -9.8243   11.786  -0.3933   8.0817   43.401   20.281   43.251   18.739 0.1505470 27.61288 
1 1 1   -2   30   12 o  159.357   10.402   70.601   8.9312   78.559   13.038   63.566   12.259  167.902   14.370  150.813   15.043 17.08873 20.80395 
1 1 1   -2   30   13 o  122.203   12.193   41.846   8.0139   37.347   10.773   47.420   11.991  114.881   17.355  129.525   17.132 -14.64421 24.38606 
1 1 1   -2   30   14 o   63.038   16.599   9.6981   7.6161   7.5095   10.782   11.878   10.760   59.603   23.226   66.473   23.721 -6.870735 33.19835 
1 1 1   -2   30   15 o   81.510   15.873   20.598   7.6457   27.751   10.243   11.598   11.490   96.431   20.299   66.588   24.409 29.84240 31.74611 
1 1 1   -2   30   16 o   48.716   14.942  -0.4239   7.3990   3.0038   10.162  -4.2906   10.794   52.054   21.715   45.377   20.532 6.677143 29.88467 
1 1 1   -2   30   17 o   50.246   15.394   0.2944   7.7038   0.0333   10.643   0.5817   11.165   49.402   21.454   51.091   22.081 -1.689560 30.78733 
1 1 1   -2   30   18 o   83.732   15.315   20.063   7.5527   9.0868   10.083   34.092   11.400   60.711   22.751  106.754   20.507 -46.04364 30.62922 
1 1 1   -2   30   19 o   67.927   16.620   12.766   7.4373   9.9465   9.9274   16.373   11.228   61.862   22.686   73.992   24.296 -12.13020 33.24080 
1 1 1   -2   30   20 o   49.042   14.550  -4.2437   7.3914 -16.1826   9.9480   10.470   11.044   34.311   16.707   63.773   23.827 -29.46243 29.10069 
1 1 1   -2   30   21 o   82.492   17.568   21.819   8.6502   25.564   11.153   16.164   13.704   90.669   22.789   74.314   26.743 16.35497 35.13632 
1 1 1   -2   30   22 o   52.795   16.296   0.5431   8.7065   2.9654   11.038  -3.4459   14.165   53.109   22.421   52.481   23.654 0.6279259 32.59192 
1 1 1   -2   30   23 f   81.616   17.838   21.009   8.6794   22.590   12.297   19.439   12.252   84.374   25.110   78.857   25.342 5.516556 35.67530 
1 1 1   -2   30   24 o  117.145   13.539   40.884   8.2914   42.881   11.212   38.474   12.318  121.951   17.013  112.340   21.066 9.611382 27.07812 
1 1 1   -2   30   25 o   71.299   14.336   12.351   7.7884   30.479   10.710  -7.9934   11.346   99.730   20.558   42.869   19.987 56.86097 28.67250 
1 1 1   -2   30   26 o  103.491   14.795   32.899   8.1156   38.589   11.458   27.171   11.496  114.533   18.513   92.449   23.083 22.08396 29.59025 
1 1 1   -2   30   27 o  131.336   12.178   50.712   8.5061   60.361   12.038   41.091   12.021  144.906   15.374  117.767   18.890 27.13828 24.35502 
1 1 1   -2   30   28 o  249.451   10.827  173.726   14.594  173.726   14.594   0.0000   0.0000  249.451   10.827  ?   ?       ?      ? 
1 1 1   -2   30   29 o   59.364   16.316   8.6300   7.6712   12.099   10.481   4.6280   11.258   64.291   23.351   54.436   22.794 9.854942 32.63208 
1 1 1   -2   30   30 o  193.793   8.8529  106.131   9.2671  103.567   12.889  108.874   13.333  191.413   12.461  196.174   12.578 -4.760849 17.70579 
1 1 1   -2   30   31 o  146.237   10.829   61.875   8.5527   61.362   11.883   62.426   12.320  145.751   15.088  146.723   15.539 -0.9716797 21.65848 
1 1 1   -2   30   32 o   72.500   15.811   15.002   7.7051   3.8779   10.397   28.553   11.476   51.666   21.784   93.335   22.921 -41.66874 31.62113 
1 1 1   -2   30   33 o  204.060   8.7211  118.472   9.6072  119.605   13.920  117.441   13.276  204.783   12.579  203.337   12.083 1.446320 17.44230 
1 1 1   -2   30   34 o   78.513   16.924   20.771   7.9057   24.007   11.205   17.562   11.156   84.421   23.629   72.604   24.235 11.81714 33.84796 
1 1 1   -2   30   35 o  167.209   13.972   81.804   12.624   0.0000   0.0000   81.804   12.624  ?   ?   167.209   13.972      ?      ? 
1 1 1   -2   30   36 o   98.841   15.537   33.741   8.6136   48.198   12.099   18.882   12.266  124.907   17.925   72.776   25.383 52.13017 31.07430 
1 1 1   -2   30   37 o   52.263   17.572  -9.8529   12.992  -7.0743   21.316 -11.4955   16.389   56.583   26.701   47.943   22.851 8.639160 35.14417 
1 1 1   -2   30   38 o   70.709   19.359   14.150   12.540  -9.8243   20.179   29.234   16.006   53.997   25.628   87.422   29.023 -33.42509 38.71833 
1 1 1   -2   30   39 o  125.539   18.992   65.232   13.098   37.005   20.541   84.572   17.003   89.102   32.640  161.976   19.426 -72.87432 37.98317 
1 1 1   -2   30   40 o   50.353   16.186   2.0730   9.1802  -2.0849   11.443   9.5811   15.377   43.591   20.240   57.116   25.264 -13.52561 32.37140 
1 1 1   -2   30   41 o   52.050   15.663   5.5882   7.8590   10.134   11.231   1.2267   11.001   57.243   23.241   46.857   21.005 10.38655 31.32627 
1 1 1   -2   30   42 o   58.200   16.386   11.300   7.8795   16.517   11.506   6.6926   10.813   64.935   24.310   51.465   21.977 13.46978 32.77103 
1 1 1   -2   30   43 o   46.969   14.827   3.4340   7.6650   3.2005   10.981   3.6559   10.704   46.901   21.008   47.038   20.928 -0.1375961 29.65365 
1 1 1   -2   31    1 o  109.911   13.332   33.627   7.9181   0.0000   0.0000   33.627   7.9181  ?   ?   109.911   13.332      ?      ? 
1 1 1   -2   31    2 o   94.103   15.390   24.895   7.8259   0.0000   0.0000   24.895   7.8259  ?   ?    94.103   15.390      ?      ? 
1 1 1   -2   31    3 o   95.129   15.340   25.442   7.8854   0.0000   0.0000   25.442   7.8854  ?   ?    95.129   15.340      ?      ? 
1 1 1   -2   31    4 f   33.828   16.031  -8.6102   7.8355   0.0000   0.0000  -8.6102   7.8355  ?   ?    33.828   16.031      ?      ? 
1 1 1   -2   31    5 o  112.214   13.629   35.135   8.2640   0.0000   0.0000   35.135   8.2640  ?   ?   112.214   13.629      ?      ? 
1 1 1   -2   31    6 o  101.676   14.241   28.944   7.8240   0.0000   0.0000   28.944   7.8240  ?   ?   101.676   14.241      ?      ? 
1 1 1   -2   31    7 f  216.717   8.2505  128.461   9.6619   0.0000   0.0000  128.461   9.6619  ?   ?   216.717   8.2505      ?      ? 
1 1 1   -2   31    8 o  247.333   8.4383  167.440   11.278   0.0000   0.0000  167.440   11.278  ?   ?   247.333   8.4383      ?      ? 
1 1 1   -2   31    9 o   45.582   19.185   1.6243   8.0412   0.0000   0.0000   1.6243   8.0412  ?   ?    45.582   19.185      ?      ? 
1 1 1   -2   31   10 o  155.862   9.1802   66.170   7.5018   73.986   12.458   61.723   9.3963  162.456   14.191  149.267   11.649 13.18900 18.36047 
1 1 1   -2   31   11 f  215.792   7.8264  127.213   8.3296  132.477   15.423  125.046   9.8972  217.929   13.097  213.654   8.5726 4.275726 15.65277 
1 1 1   -2   31   12 o   50.145   14.664   3.1834   6.1839   4.0428   10.634   2.7442   7.6015   54.118   22.363   46.171   18.975 7.947815 29.32853 
1 1 1   -2   31   13 o  117.026   14.443   42.243   8.5682   27.072   12.356   56.295   11.892   93.076   24.304  140.977   15.610 -47.90170 28.88537 
1 1 1   -2   31   14 o   65.874   16.115   11.733   7.5292   18.288   10.158   3.7411   11.216   77.170   22.787   54.579   22.794 22.59111 32.23066 
1 1 1   -2   31   15 o   66.807   16.642   12.579   7.3830   11.803   9.6322   13.684   11.495   64.508   22.494   69.105   24.533 -4.596695 33.28414 
1 1 1   -2   31   16 f  148.009   10.714   61.849   8.5196   53.306   11.640   71.707   12.504  136.771   15.749  159.247   14.530 -22.47615 21.42841 
1 1 1   -2   31   17 o  110.149   14.038   35.458   7.9898   23.167   10.607   51.579   12.148   86.266   22.515  134.031   16.773 -47.76469 28.07545 
1 1 1   -2   31   18 o   63.340   15.716   9.7858   7.5180   18.705   10.226  -0.7073   11.091   77.628   22.846   49.052   21.588 28.57579 31.43182 
1 1 1   -2   31   19 o   87.729   16.336   23.429   7.7941   19.219   10.109   29.599   12.238   78.556   22.601   96.902   23.593 -18.34623 32.67175 
1 1 1   -2   31   20 o  135.007   12.982   51.396   9.0511   47.164   11.089   59.842   15.665  128.200   16.008  141.814   20.443 -13.61398 25.96423 
1 1 1   -2   31   21 o   88.552   17.162   21.655   8.5543   12.326   10.492   40.158   14.775   65.431   23.415  111.673   25.096 -46.24161 34.32316 
1 1 1   -2   31   22 o  162.936   11.237   75.265   9.4945  107.522   14.382   50.343   12.641  194.756   13.666  131.115   17.842 63.64055 22.47379 
1 1 1   -2   31   23 o  237.986   11.314  158.384   14.550   0.0000   0.0000  158.384   14.550  ?   ?   237.986   11.314      ?      ? 
1 1 1   -2   31   24 o  124.243   12.455   45.369   8.3192   45.100   11.219   45.698   12.400  124.346   16.696  124.140   18.485 0.2063065 24.90938 
1 1 1   -2   31   25 o   73.432   16.743   17.428   7.7272   20.657   10.198   13.075   11.841   80.128   22.583   66.737   24.724 13.39043 33.48561 
1 1 1   -2   31   26 o  154.741   10.786   69.161   9.0166   67.848   12.580   70.549   12.930  153.273   15.189  156.208   15.318 -2.934677 21.57203 
1 1 1   -2   31   27 o  107.246   14.871   37.072   8.3461   50.143   11.592   23.003   12.026  131.084   16.365   83.408   24.834 47.67594 29.74124 
1 1 1   -2   31   28 o  174.016   13.527   86.588   12.720   0.0000   0.0000   86.588   12.720  ?   ?   174.016   13.527      ?      ? 
1 1 1   -2   31   29 o   87.503   16.399   25.498   7.8938   27.067   10.764   23.672   11.612   91.177   22.081   83.829   24.252 7.348198 32.79860 
1 1 1   -2   31   30 f  221.909   8.3808  138.690   10.013  124.398   13.584  155.696   14.817  209.334   12.008  234.484   11.694 -25.15016 16.76160 
1 1 1   -2   31   31 o   93.235   15.716   28.990   7.8391   32.372   10.651   24.992   11.579  100.816   20.255   85.654   24.037 15.16255 31.43281 
1 1 1   -2   31   32 o  100.008   15.582   33.909   8.4670   43.361   11.829   23.978   12.125  118.195   18.521   81.822   25.062 36.37236 31.16336 
1 1 1   -2   31   33 o   81.141   20.960   14.902   10.501   53.423   23.471   5.2608   11.742  108.538   35.096   53.745   22.925 54.79283 41.92025 
1 1 1   -2   31   34 f   55.362   18.241  -4.1165   13.261  -9.2297   21.052  -0.7529   17.074   55.192   26.190   55.531   25.397 -0.3394890 36.48138 
1 1 1   -2   31   35 o   78.665   21.376   20.852   12.550   34.550   20.755   12.957   15.757   90.827   32.880   66.503   27.324 24.32315 42.75101 
1 1 1   -2   31   36 o   51.960   17.239  -6.4997   12.631 -19.3288   19.687   2.4752   16.466   47.929   23.374   55.990   25.345 -8.060303 34.47728 
1 1 1   -2   31   37 o   52.057   14.947  -4.9343   8.1296 -24.3375   10.570   23.166   12.720   29.918   15.012   74.197   25.850 -44.27846 29.89312 
1 1 1   -2   31   38 o   94.887   16.069   32.774   8.1545   35.521   11.342   29.835   11.732  100.610   21.514   89.164   23.874 11.44547 32.13763 
1 1 1   -2   31   39 o   64.257   16.986   15.181   7.9276   13.440   10.797   17.217   11.678   61.432   23.423   67.081   24.605 -5.648766 33.97128 
1 1 1   -2   31   40 o  116.830   13.663   46.848   8.2731   37.261   11.414   57.460   12.008  100.737   21.616  132.924   16.718 -32.18745 27.32638 
1 1 1   -2   32    1 o   39.530   17.618  -2.0202   7.6202   0.0000   0.0000  -2.0202   7.6202  ?   ?    39.530   17.618      ?      ? 
1 1 1   -2   32    2 o  134.786   11.310   50.439   8.2376   0.0000   0.0000   50.439   8.2376  ?   ?   134.786   11.310      ?      ? 
1 1 1   -2   32    3 o  215.426   8.4665  127.334   9.8558   0.0000   0.0000  127.334   9.8558  ?   ?   215.426   8.4665      ?      ? 
1 1 1   -2   32    4 o  219.547   9.1166  132.590   10.816   0.0000   0.0000  132.590   10.816  ?   ?   219.547   9.1166      ?      ? 
1 1 1   -2   32    5 o   91.501   16.683   24.613   7.9450   0.0000   0.0000   24.613   7.9450  ?   ?    91.501   16.683      ?      ? 
1 1 1   -2   32    6 o  153.804   10.504   65.470   8.7297   0.0000   0.0000   65.470   8.7297  ?   ?   153.804   10.504      ?      ? 
1 1 1   -2   32    7 o   90.399   16.962   24.113   7.9813   0.0000   0.0000   24.113   7.9813  ?   ?    90.399   16.962      ?      ? 
1 1 1   -2   32    8 o   78.880   18.503   18.729   7.7503   0.0000   0.0000   18.729   7.7503  ?   ?    78.880   18.503      ?      ? 
1 1 1   -2   32    9 o  174.249   9.7306   83.770   9.1621   0.0000   0.0000   83.770   9.1621  ?   ?   174.249   9.7306      ?      ? 
1 1 1   -2   32   10 o   35.866   16.488  -4.5063   7.3245   0.0000   0.0000  -4.5063   7.3245  ?   ?    35.866   16.488      ?      ? 
1 1 1   -2   32   11 o  126.090   10.564   43.739   6.8912   50.068   11.858   40.512   8.4677  132.036   16.621  120.145   13.043 11.89089 21.12735 
1 1 1   -2   32   12 o  242.549   8.0377  165.596   9.6062  158.896   17.424  168.522   11.514  237.474   13.579  247.625   8.6049 -10.15030 16.07550 
1 1 1   -2   32   13 o   97.065   14.329   30.491   6.8929   22.703   12.168   34.171   8.3645   84.249   24.956  109.881   14.087 -25.63186 28.65722 
1 1 1   -2   32   14 o  130.051   12.933   49.428   9.0656   50.113   13.329   48.839   12.367  130.555   18.893  129.547   17.666 1.008011 25.86592 
1 1 1   -2   32   15 o  151.482   15.416   65.747   12.619   0.0000   0.0000   65.747   12.619  ?   ?   151.482   15.416      ?      ? 
1 1 1   -2   32   16 o  119.204   12.186   40.924   7.8057   36.824   10.405   46.203   11.805  112.508   17.115  125.900   17.352 -13.39141 24.37243 
1 1 1   -2   32   17 o  151.716   10.210   65.683   8.3393   65.766   11.331   65.585   12.318  152.181   13.779  151.251   15.072 0.9296265 20.42071 
1 1 1   -2   32   18 o   75.647   15.701   17.921   7.5991   27.316   10.404   7.1797   11.125   93.450   21.103   57.844   23.254 35.60582 31.40212 
1 1 1   -2   32   19 o  116.232   14.700   41.672   8.7025   42.356   11.067   40.563   14.088  120.307   17.023  112.158   23.971 8.148300 29.40074 
1 1 1   -2   32   20 f   63.663   17.138   8.4248   8.3074   1.6615   10.491   19.797   13.604   49.641   21.429   77.684   26.752 -28.04356 34.27609 
1 1 1   -2   32   21 o   72.580   17.057   16.320   8.0226   11.052   11.042   22.210   11.676   62.998   23.768   82.161   24.471 -19.16241 34.11357 
1 1 1   -2   32   22 o   66.351   16.452   12.994   7.6502   18.333   10.460   6.8526   11.218   75.488   23.304   57.214   23.228 18.27333 32.90306 
1 1 1   -2   32   23 o  108.140   14.253   35.923   8.1061   36.168   10.929   35.625   12.086  110.207   18.352  106.073   21.813 4.133308 28.50642 
1 1 1   -2   32   24 o   59.405   16.415   9.0560   7.6899   11.010   10.343   6.6408   11.499   61.938   23.076   56.872   23.351 5.065620 32.82929 
1 1 1   -2   32   25 o   54.710   16.128   5.2591   7.8925   3.3404   10.595   7.6511   11.830   51.185   21.803   58.234   23.772 -7.048653 32.25637 
1 1 1   -2   32   26 o   61.458   16.370   10.563   7.8172   15.461   10.144   3.4014   12.267   69.142   23.110   53.775   23.193 15.36754 32.74088 
1 1 1   -2   32   27 o   97.652   15.286   30.299   7.8951   22.419   10.491   40.591   11.989   82.026   22.830  113.279   20.334 -31.25220 30.57261 
1 1 1   -2   32   28 o   45.726   14.635  -2.0683   7.8491   1.1778   10.642  -5.9405   11.623   48.017   21.139   43.436   20.245 4.580849 29.26914 
1 1 1   -2   32   29 o   49.178   15.358   1.6095   8.0089   2.3508   11.070   0.7953   11.602   49.555   21.693   48.802   21.745 0.7525406 30.71568 
1 1 1   -2   32   30 o   57.178   18.771  -2.1185   13.780  -4.3896   21.625  -0.5655   17.881   58.010   27.224   56.347   25.850 1.663338 37.54153 
1 1 1   -2   32   31 o   90.137   20.515   30.240   14.348   0.2048   21.610   53.919   19.187   61.033   28.153  119.241   29.848 -58.20753 41.03046 
1 1 1   -2   32   32 o   81.303   20.593   15.083   13.774   52.185   21.706  -9.9279   17.822  111.754   33.383   50.852   24.120 60.90215 41.18546 
1 1 1   -2   32   33 o   79.956   21.593   27.523   13.726   16.696   20.554   36.239   18.441   69.075   29.906   90.837   31.155 -21.76201 43.18568 
1 1 1   -2   32   34 o   48.572   15.284   3.4723   8.0704   2.2582   11.121   4.8227   11.729   46.975   21.084   50.169   22.134 -3.193577 30.56896 
1 1 1   -2   32   35 o   63.305   17.192   14.568   8.2233   13.461   11.037   15.950   12.330   61.532   23.629   65.078   24.979 -3.546188 34.38462 
1 1 1   -2   32   36 o   55.178   16.178   8.1472   8.2358   13.282   11.120   1.9082   12.257   61.356   23.677   49.000   22.052 12.35532 32.35574 
1 1 1   -2   32   37 o   88.180   16.605   29.824   8.3984   19.792   11.188   42.774   12.711   69.422   24.241  106.938   22.699 -37.51545 33.20946 
1 1 1   -2   33    1 o   63.373   20.298   12.032   7.8647   0.0000   0.0000   12.032   7.8647  ?   ?    63.373   20.298      ?      ? 
1 1 1   -2   33    2 o   46.285   19.305   2.5567   8.0305   0.0000   0.0000   2.5567   8.0305  ?   ?    46.285   19.305      ?      ? 
1 1 1   -2   33    3 o   68.476   20.514   14.378   8.1876   0.0000   0.0000   14.378   8.1876  ?   ?    68.476   20.514      ?      ? 
1 1 1   -2   33    4 o  178.761   9.8813   88.526   9.5450   0.0000   0.0000   88.526   9.5450  ?   ?   178.761   9.8813      ?      ? 
1 1 1   -2   33    5 o  101.560   15.405   29.598   8.4539   0.0000   0.0000   29.598   8.4539  ?   ?   101.560   15.405      ?      ? 
1 1 1   -2   33    6 o  129.454   12.137   47.037   8.4904   0.0000   0.0000   47.037   8.4904  ?   ?   129.454   12.137      ?      ? 
1 1 1   -2   33    7 o   90.707   17.160   24.586   8.1030   0.0000   0.0000   24.586   8.1030  ?   ?    90.707   17.160      ?      ? 
1 1 1   -2   33    8 o   51.734   19.544   6.5385   7.4726   0.0000   0.0000   6.5385   7.4726  ?   ?    51.734   19.544      ?      ? 
1 1 1   -2   33    9 o   81.730   18.138   20.304   7.8014   0.0000   0.0000   20.304   7.8014  ?   ?    81.730   18.138      ?      ? 
1 1 1   -2   33   10 o   42.991   18.224   1.4810   7.3391   0.0000   0.0000   1.4810   7.3391  ?   ?    42.991   18.224      ?      ? 
1 1 1   -2   33   11 o   58.716   20.131   10.024   7.6996   0.0000   0.0000   10.024   7.6996  ?   ?    58.716   20.131      ?      ? 
1 1 1   -2   33   12 o   69.953   16.044   14.388   6.4483   18.164   12.035   12.867   7.6370   75.155   25.171   64.752   19.900 10.40240 32.08766 
1 1 1   -2   33   13 o  163.933   8.9748   73.192   7.4550   84.527   13.422   68.135   8.9651  171.646   14.471  156.220   10.620 15.42567 17.94957 
1 1 1   -2   33   14 o   74.997   15.052   14.135   6.3830   30.180   11.665   7.2782   7.6259   96.944   22.673   53.050   19.804 43.89417 30.10421 
1 1 1   -2   33   15 o   47.827   14.974  -0.5989   7.6676   0.8342   10.409  -2.2991   11.338   48.515   21.142   47.138   21.212 1.376247 29.94889 
1 1 1   -2   33   16 o   69.759   17.013   15.074   8.0503   19.489   10.874   9.7201   11.975   77.538   23.732   61.980   24.383 15.55791 34.02562 
1 1 1   -2   33   17 o   79.486   17.387   20.746   8.2436   22.016   11.558   19.431   11.761   81.847   24.341   77.126   24.833 4.721420 34.77319 
1 1 1   -2   33   18 o   65.720   17.840   12.267   8.8938   13.862   11.509   9.9009   14.013   67.493   24.476   63.948   25.961 3.544590 35.67967 
1 1 1   -2   33   19 o  212.149   15.216  130.946   17.443   0.0000   0.0000  130.946   17.443  ?   ?   212.149   15.216      ?      ? 
1 1 1   -2   33   20 o  163.529   11.159   79.003   9.7684   72.815   14.402   84.274   13.293  156.488   17.032  170.570   14.423 -14.08189 22.31829 
1 1 1   -2   33   21 o  211.405   12.784  127.689   14.604   0.0000   0.0000  127.689   14.604  ?   ?   211.405   12.784      ?      ? 
1 1 1   -2   33   22 o   75.107   16.054   18.604   7.9373   28.010   10.708   7.1320   11.825   92.822   21.732   57.391   23.636 35.43073 32.10796 
1 1 1   -2   33   23 f   66.113   16.795   12.974   7.8245   7.4407   10.397   20.201   11.882   55.706   22.450   76.520   24.986 -20.81395 33.59058 
1 1 1   -2   33   24 o  127.010   14.074   53.717   8.7779   69.608   11.927   34.934   12.966  153.820   14.349  100.199   24.216 53.62097 28.14782 
1 1 1   -2   33   25 o  171.405   10.443   86.964   9.6602   83.037   13.264   91.399   14.097  167.403   14.663  175.407   14.873 -8.004288 20.88556 
1 1 1   -2   33   26 o   49.800   17.159 -20.6374   14.623 -16.3288   22.372 -23.8514   19.322   53.213   25.707   46.386   22.735 6.826542 34.31782 
1 1 1   -2   33   27 o   97.825   22.635   40.344   14.922   25.158   22.379   52.500   20.023   80.161   32.706  115.489   31.302 -35.32818 45.27085 
1 1 1   -2   33   28 o  154.508   18.493   77.611   14.359  140.923   23.150   38.018   18.307  211.296   20.275   97.720   30.933 113.5753 36.98558 
1 1 1   -2   33   29 o   81.781   22.151   28.073   13.737   26.171   20.132   29.730   18.791   79.473   31.503   84.090   31.148 -4.616478 44.30157 
1 1 1   -2   33   30 o   76.429   19.531   18.829   9.6304   9.7887   11.184   44.752   18.939   56.159   23.041   96.700   31.544 -40.54068 39.06276 
1 1 1   -2   33   31 o   61.407   16.154   10.668   8.3010  -2.3903   11.290   26.034   12.247   43.218   20.079   79.596   25.312 -36.37768 32.30875 
1 1 1   -2   33   32 o   87.967   16.839   28.164   8.3078   21.312   11.030   37.148   12.630   75.034   24.038  100.901   23.588 -25.86660 33.67767 
1 1 1   -2   33   33 o   66.021   16.068   15.226   8.3017   26.858   11.168   0.8596   12.411   84.139   23.604   47.903   21.809 36.23663 32.13678 
1 1 1   -2   33   34 o   52.089   15.254   5.3580   8.1491   16.763   10.890  -9.1555   12.285   64.447   23.742   39.732   19.158 24.71506 30.50737 
1 1 1   -2   34    1 o   82.536   18.389   20.897   7.9915   0.0000   0.0000   20.897   7.9915  ?   ?    82.536   18.389      ?      ? 
1 1 1   -2   34    2 o  221.678   8.6387  135.719   10.348   0.0000   0.0000  135.719   10.348  ?   ?   221.678   8.6387      ?      ? 
1 1 1   -2   34    3 o  186.299   10.112   96.624   10.180   0.0000   0.0000   96.624   10.180  ?   ?   186.299   10.112      ?      ? 
1 1 1   -2   34    4 o  138.906   11.717   54.257   8.7949   0.0000   0.0000   54.257   8.7949  ?   ?   138.906   11.717      ?      ? 
1 1 1   -2   34    5 f   41.127   18.118  -0.6992   7.8311   0.0000   0.0000  -0.6992   7.8311  ?   ?    41.127   18.118      ?      ? 
1 1 1   -2   34    6 o   71.226   20.099   15.857   8.0730   0.0000   0.0000   15.857   8.0730  ?   ?    71.226   20.099      ?      ? 
1 1 1   -2   34    7 o   81.041   18.361   20.166   7.8545   0.0000   0.0000   20.166   7.8545  ?   ?    81.041   18.361      ?      ? 
1 1 1   -2   34    8 o   52.309   19.879   6.8018   7.7605   0.0000   0.0000   6.8018   7.7605  ?   ?    52.309   19.879      ?      ? 
1 1 1   -2   34    9 o   44.326   18.843   1.7080   7.8844   0.0000   0.0000   1.7080   7.8844  ?   ?    44.326   18.843      ?      ? 
1 1 1   -2   34   10 o   65.808   19.721   13.480   7.5661   0.0000   0.0000   13.480   7.5661  ?   ?    65.808   19.721      ?      ? 
1 1 1   -2   34   11 o   64.545   20.812   12.984   8.2577   0.0000   0.0000   12.984   8.2577  ?   ?    64.545   20.812      ?      ? 
1 1 1   -2   34   12 o   50.837   19.399   6.4619   7.4088   0.0000   0.0000   6.4619   7.4088  ?   ?    50.837   19.399      ?      ? 
1 1 1   -2   34   13 o   85.961   15.791   21.953   6.9576   31.779   12.764   17.799   8.2989   97.219   24.349   74.703   20.112 22.51652 31.58140 
1 1 1   -2   34   14 f  121.196   12.282   45.317   7.3260   40.248   12.197   48.179   9.1631  112.695   20.795  129.698   13.074 -17.00224 24.56345 
1 1 1   -2   34   15 o  178.029   9.0401   91.580   8.0551   87.500   14.146   93.538   9.7990  173.129   15.120  182.929   9.9131 -9.799774 18.08026 
1 1 1   -2   34   16 o  209.789   9.3208  125.942   10.549  133.761   15.460  119.130   14.430  215.790   13.259  203.787   13.104 12.00336 18.64158 
1 1 1   -2   34   17 o   59.853   17.165   8.4725   8.3474   6.2633   10.407   12.457   13.977   54.181   22.227   65.524   26.162 -11.34274 34.32940 
1 1 1   -2   34   18 o   94.126   17.416   30.794   8.7135   30.374   10.800   31.577   14.747   96.011   21.368   92.240   27.508 3.771614 34.83215 
1 1 1   -2   34   19 o   59.540   16.572   8.9487   8.1774   2.1333   11.191   16.756   11.978   49.584   21.756   69.496   25.003 -19.91262 33.14344 
1 1 1   -2   34   20 o   84.982   25.373   26.227   12.541   0.0000   0.0000   26.227   12.541  ?   ?    84.982   25.373      ?      ? 
1 1 1   -2   34   21 o   80.167   20.190   25.870   11.800   8.5586   25.386   30.640   13.327   68.172   31.096   92.162   25.760 -23.98967 40.38037 
1 1 1   -2   34   22 o   58.801   19.674  -6.8832   16.430  -5.6149   24.857  -7.8671   21.894   60.780   28.728   56.822   26.889 3.958176 39.34844 
1 1 1   -2   34   23 o   91.781   24.324   36.267   16.176   41.284   24.659   32.477   21.430   95.463   35.617   88.098   33.138 7.365669 48.64892 
1 1 1   -2   34   24 o   62.148   19.825   1.6764   14.974 -16.0135   22.601   15.516   19.991   53.697   25.916   70.598   30.008 -16.90110 39.64960 
1 1 1   -2   34   25 o   48.639   16.735 -18.0222   13.974 -11.2928   20.407 -23.9640   19.175   51.986   24.971   45.291   22.288 6.695187 33.47076 
1 1 1   -2   34   26 o   58.198   16.096   2.2642   8.5100 -12.8757   10.715   28.131   14.005   35.481   17.290   80.915   27.154 -45.43428 32.19114 
1 1 1   -2   34   27 o   42.191   13.991  -4.1537   8.0897  -1.5548   11.262  -6.9245   11.628   43.859   20.263   40.523   19.296 3.335747 27.98128 
1 1 1   -2   34   28 o   48.974   15.167   3.3823   7.7408   6.0447   10.537   0.2614   11.409   51.437   21.822   46.511   21.071 4.925854 30.33473 
1 1 1   -2   34   29 o   44.979   14.501  -2.3475   8.0858   5.1418   11.342 -10.0883   11.531   51.051   22.159   38.908   18.710 12.14313 29.00147 
1 1 1   -2   34   30 o   96.961   16.112   36.163   8.4307   42.843   11.575   28.616   12.304  110.710   20.088   83.213   25.198 27.49667 32.22483 
1 1 1   -2   34   31 o   75.507   16.873   22.243   8.1802   12.850   10.783   34.979   12.556   58.245   23.066   92.768   24.633 -34.52332 33.74665 
1 1 1   -2   35    1 o  128.658   12.738   47.306   8.8558   0.0000   0.0000   47.306   8.8558  ?   ?   128.658   12.738      ?      ? 
1 1 1   -2   35    2 o   59.052   20.655   10.481   8.1246   0.0000   0.0000   10.481   8.1246  ?   ?    59.052   20.655      ?      ? 
1 1 1   -2   35    3 o  150.493   10.876   63.784   8.8441   0.0000   0.0000   63.784   8.8441  ?   ?   150.493   10.876      ?      ? 
1 1 1   -2   35    4 o   80.417   19.065   20.404   8.1588   0.0000   0.0000   20.404   8.1588  ?   ?    80.417   19.065      ?      ? 
1 1 1   -2   35    5 o   46.507   19.245   3.5316   7.8906   0.0000   0.0000   3.5316   7.8906  ?   ?    46.507   19.245      ?      ? 
1 1 1   -2   35    6 o   53.722   20.121   7.8829   7.8847   0.0000   0.0000   7.8829   7.8847  ?   ?    53.722   20.121      ?      ? 
1 1 1   -2   35    7 o   37.521   17.228  -3.7554   7.9648   0.0000   0.0000  -3.7554   7.9648  ?   ?    37.521   17.228      ?      ? 
1 1 1   -2   35    8 f   51.104   20.257   6.2105   8.3232   0.0000   0.0000   6.2105   8.3232  ?   ?    51.104   20.257      ?      ? 
1 1 1   -2   35    9 o   37.635   17.174  -2.9355   7.7530   0.0000   0.0000  -2.9355   7.7530  ?   ?    37.635   17.174      ?      ? 
1 1 1   -2   35   10 o  104.566   14.463   32.208   8.1722   0.0000   0.0000   32.208   8.1722  ?   ?   104.566   14.463      ?      ? 
1 1 1   -2   35   11 o  102.853   15.312   31.560   8.5102   0.0000   0.0000   31.560   8.5102  ?   ?   102.853   15.312      ?      ? 
1 1 1   -2   35   12 f  137.280   11.513   53.956   8.5403   0.0000   0.0000   53.956   8.5403  ?   ?   137.280   11.513      ?      ? 
1 1 1   -2   35   13 o   37.996   17.260  -2.3515   7.7191   0.0000   0.0000  -2.3515   7.7191  ?   ?    37.996   17.260      ?      ? 
1 1 1   -2   35   14 o  223.143   9.0453  145.635   10.140  138.874   17.646  148.968   12.391  216.348   15.094  229.937   9.9723 -13.58887 18.09052 
1 1 1   -2   35   15 o   37.345   12.773 -11.8269   7.4706 -20.3266   13.618  -8.1678   8.9351   38.813   19.036   35.876   17.035 2.936375 25.54510 
1 1 1   -2   35   16 o   46.713   20.993  -0.8894   11.062   0.0000   0.0000  -0.8894   11.062  ?   ?    46.713   20.993      ?      ? 
1 1 1   -2   35   18 o   51.518   24.623 -12.4347   19.306   0.0000   0.0000 -12.4347   19.306  ?   ?    51.518   24.623      ?      ? 
1 1 1   -2   35   19 o   49.798   17.228 -27.9718   16.153 -57.0721   24.935  -6.9279   21.204   43.835   22.131   55.761   26.409 -11.92602 34.45549 
1 1 1   -2   35   20 o  129.243   22.095   77.379   17.400   45.473   25.888  103.671   23.500   90.673   35.793  167.813   25.916 -77.14024 44.19013 
1 1 1   -2   35   21 o   67.574   19.734   18.350   10.721   16.352   12.361   24.414   21.534   64.603   24.954   70.544   30.577 -5.941345 39.46702 
1 1 1   -2   35   22 o  121.173   14.262   49.733   9.0481   41.811   11.965   60.315   13.828  108.483   21.171  133.862   19.117 -25.37956 28.52473 
1 1 1   -2   35   23 o   82.377   17.160   26.158   8.6778   35.403   12.267   16.896   12.278   98.229   23.437   66.526   25.071 31.70314 34.31966 
1 1 1   -2   35   24 o   49.727   15.565   3.2213   8.2665   3.9252   11.290   2.4079   12.137   49.951   21.886   49.503   22.136 0.4482803 31.12902 
1 1 1   -2   35   25 o  170.639   15.250   90.434   14.062   90.434   14.062   0.0000   0.0000  170.639   15.250  ?   ?       ?      ? 
1 1 1   -2   35   26 o   67.041   16.003   15.977   8.6085   31.354   11.844  -1.2448   12.534   88.779   24.079   45.303   21.084 43.47579 32.00536 
1 1 1   -2   36    1 o  115.871   15.076   39.675   9.4397   0.0000   0.0000   39.675   9.4397  ?   ?   115.871   15.076      ?      ? 
1 1 1   -2   36    2 o   33.404   16.014  -9.3977   8.3019   0.0000   0.0000  -9.3977   8.3019  ?   ?    33.404   16.014      ?      ? 
1 1 1   -2   36    3 o   95.348   17.469   28.197   8.6690   0.0000   0.0000   28.197   8.6690  ?   ?    95.348   17.469      ?      ? 
1 1 1   -2   36    4 o  123.647   14.470   44.849   9.6682   0.0000   0.0000   44.849   9.6682  ?   ?   123.647   14.470      ?      ? 
1 1 1   -2   36    5 o  144.687   11.459   59.591   8.9591   0.0000   0.0000   59.591   8.9591  ?   ?   144.687   11.459      ?      ? 
1 1 1   -2   36    6 o  151.778   10.777   65.181   8.8392   0.0000   0.0000   65.181   8.8392  ?   ?   151.778   10.777      ?      ? 
1 1 1   -2   36    7 o  103.011   15.999   31.657   8.9059   0.0000   0.0000   31.657   8.9059  ?   ?   103.011   15.999      ?      ? 
1 1 1   -2   36    8 o   58.504   20.910   10.470   8.3638   0.0000   0.0000   10.470   8.3638  ?   ?    58.504   20.910      ?      ? 
1 1 1   -2   36    9 o   37.478   17.463  -5.3410   8.6403   0.0000   0.0000  -5.3410   8.6403  ?   ?    37.478   17.463      ?      ? 
1 1 1   -2   36   10 o   31.396   15.421 -15.4100   9.0450   0.0000   0.0000 -15.4100   9.0450  ?   ?    31.396   15.421      ?      ? 
1 1 1   -2   36   11 o   58.368   23.976   9.1111   12.129   0.0000   0.0000   9.1111   12.129  ?   ?    58.368   23.976      ?      ? 
1 1 1   -2   36   12 o   38.000   18.250 -10.5153   10.890   0.0000   0.0000 -10.5153   10.890  ?   ?    38.000   18.250      ?      ? 
1 1 1   -2   36   13 o  110.823   19.900   41.425   11.479   0.0000   0.0000   41.425   11.479  ?   ?   110.823   19.900      ?      ? 
1 1 1   -2   36   14 o   46.498   20.505   2.9793   10.056   0.0000   0.0000   2.9793   10.056  ?   ?    46.498   20.505      ?      ? 
1 1 1   -2   36   15 o   42.644   20.237  -5.7928   12.573   0.0000   0.0000  -5.7928   12.573  ?   ?    42.644   20.237      ?      ? 
1 1 1   -2   36   16 o   57.597   24.944   9.8896   14.307   9.8896   14.307   0.0000   0.0000   57.597   24.944  ?   ?       ?      ? 
1 1 1   -2   36   17 f   47.388   14.593   2.2617   7.4828  -8.5608   12.716   7.9949   9.2550   41.992   20.046   52.783   21.213 -10.79144 29.18652 
1 1 1   -2   36   18 o   79.747   16.177   21.305   6.9706   30.788   12.436   16.959   8.4173   89.973   24.786   69.521   20.794 20.45226 32.35346 
1 1 1   -2   36   19 o   48.304   15.146   2.2698   8.1266   7.0157   10.574  -4.5787   12.702   52.293   22.004   44.316   20.819 7.976261 30.29176 
1 1 1   -2   36   20 o   93.400   17.001   33.149   8.5522   28.623   11.145   39.631   13.337   86.276   23.341  100.525   24.724 -14.24906 34.00105 
1 1 1   -2   36   21 o   54.970   16.627   9.6704   8.7415   8.2195   11.817   11.424   12.991   52.966   22.804   56.973   24.203 -4.006546 33.25356 
1 1 1   -2   37    1 o   73.258   25.304   21.685   12.175   0.0000   0.0000   21.685   12.175  ?   ?    73.258   25.304      ?      ? 
1 1 1   -2   37    2 o   51.502   22.945   4.3113   12.913   0.0000   0.0000   4.3113   12.913  ?   ?    51.502   22.945      ?      ? 
1 1 1   -2   37    3 o   64.137   27.285   15.399   16.553   0.0000   0.0000   15.399   16.553  ?   ?    64.137   27.285      ?      ? 
1 1 1   -2   37    6 o   49.778   23.186  -1.9426   15.208   0.0000   0.0000  -1.9426   15.208  ?   ?    49.778   23.186      ?      ? 
1 1 1   -2   37    7 o   47.140   22.257  -5.4842   14.850   0.0000   0.0000  -5.4842   14.850  ?   ?    47.140   22.257      ?      ? 
1 1 1   -2   37    8 o   82.275   25.943   26.846   12.886   0.0000   0.0000   26.846   12.886  ?   ?    82.275   25.943      ?      ? 
1 1 1   -2   37    9 o   52.850   22.916   5.8923   12.104   0.0000   0.0000   5.8923   12.104  ?   ?    52.850   22.916      ?      ? 
1 1 1   -2   37   10 o   37.605   18.036  -9.1731   10.556   0.0000   0.0000  -9.1731   10.556  ?   ?    37.605   18.036      ?      ? 
1 1 1   -2   37   11 o   28.524   14.189 -17.3668   8.5758   0.0000   0.0000 -17.3668   8.5758  ?   ?    28.524   14.189      ?      ? 
1 1 1   -2   37   12 o   36.387   16.959  -3.6105   8.1568   0.0000   0.0000  -3.6105   8.1568  ?   ?    36.387   16.959      ?      ? 
1 1 1   -2   37   13 o   43.394   18.781   3.1320   8.1008   0.0000   0.0000   3.1320   8.1008  ?   ?    43.394   18.781      ?      ? 
1 1 1   -2   37   14 f   34.312   16.496  -8.0025   8.9505   0.0000   0.0000  -8.0025   8.9505  ?   ?    34.312   16.496      ?      ? 
1 1 1   -1    0    2 o  2212.21   26.112 13245.00  441.156 13245.00  441.156 13245.00  441.156  2212.21   36.928  2212.21   36.928 0.000000 0.000000 
1 1 1   -1    0    3 o  2598.91   43.490 18328.83  862.641 18328.83  862.641 18328.83  862.641  2598.91   61.504  2598.91   61.504 0.000000 0.000000 
1 1 1   -1    0    4 o  1013.03   12.123  2775.82   93.787  2775.82   93.787  2775.82   93.787  1013.03   17.144  1013.03   17.144 0.000000 0.000000 
1 1 1   -1    0    5 o  241.582   3.6653  157.906   6.7597  157.906   6.7597  157.906   6.7597  241.582   5.1835  241.582   5.1835 0.000000 0.000000 
1 1 1   -1    0    6 o  291.784   4.1460  230.323   9.2363  230.323   9.2363  230.323   9.2363  291.784   5.8633  291.784   5.8633 0.000000 0.000000 
1 1 1   -1    0    7 o  294.360   4.1856  234.412   9.4068  234.412   9.4068  234.412   9.4068  294.360   5.9193  294.360   5.9193 0.000000 0.000000 
1 1 1   -1    0    8 o  112.667   2.9267   34.436   2.5121   34.436   2.5121   34.436   2.5121  112.667   4.1389  112.667   4.1389 0.000000 0.000000 
1 1 1   -1    0    9 o  1033.03   12.366  2887.37   97.561  2887.37   97.561  2887.37   97.561  1033.03   17.489  1033.03   17.489 0.000000 0.000000 
1 1 1   -1    0   10 o  1624.56   19.271  7148.46  239.089  7148.46  239.089  7148.46  239.089  1624.56   27.253  1624.56   27.253 0.000000 0.000000 
1 1 1   -1    0   11 o  610.832   7.5668  1009.30   35.297  1009.30   35.297  1009.30   35.297  610.832   10.701  610.832   10.701 0.000000 0.000000 
1 1 1   -1    0   12 o  534.513   6.7288  772.803   27.465  772.803   27.465  772.803   27.465  534.513   9.5159  534.513   9.5159 0.000000 0.000000 
1 1 1   -1    0   13 o  1008.07   12.088  2749.44   93.062  2749.44   93.062  2749.44   93.062  1008.07   17.095  1008.07   17.095 0.000000 0.000000 
1 1 1   -1    0   14 o  788.338   9.5804  1681.18   57.678  1681.18   57.678  1681.18   57.678  788.338   13.549  788.338   13.549 0.000000 0.000000 
1 1 1   -1    0   15 o  434.220   5.6818  510.012   18.839  510.012   18.839  510.012   18.839  434.220   8.0353  434.220   8.0353 0.000000 0.000000 
1 1 1   -1    0   16 o  608.969   7.5740  1003.15   35.222  1003.15   35.222  1003.15   35.222  608.969   10.711  608.969   10.711 0.000000 0.000000 
1 1 1   -1    0   17 o  214.459   3.7418  124.500   6.1239  124.500   6.1239  124.500   6.1239  214.459   5.2917  214.459   5.2917 0.000000 0.000000 
1 1 1   -1    0   18 o  518.122   6.6025  726.185   26.123  726.185   26.123  726.185   26.123  518.122   9.3373  518.122   9.3373 0.000000 0.000000 
1 1 1   -1    0   19 o  130.745   3.7272   46.415   3.7103   46.415   3.7103   46.415   3.7103  130.745   5.2711  130.745   5.2711 0.000000 0.000000 
1 1 1   -1    0   20 o  1239.39   14.812  4163.07  140.194  4163.07  140.194  4163.07  140.194  1239.39   20.947  1239.39   20.947 0.000000 0.000000 
1 1 1   -1    0   21 o   97.766   4.3175   26.131   3.1969   26.131   3.1969   26.131   3.1969   97.766   6.1059   97.766   6.1059 0.000000 0.000000 
1 1 1   -1    0   22 o  590.255   7.4113  942.809   33.406  942.809   33.406  942.809   33.406  590.255   10.481  590.255   10.481 0.000000 0.000000 
1 1 1   -1    0   24 o  509.913   6.5635  703.601   25.557  703.601   25.557  703.601   25.557  509.913   9.2821  509.913   9.2821 0.000000 0.000000 
1 1 1   -1    0   25 f  297.546   4.5323  239.607   10.295  239.607   10.295  239.607   10.295  297.546   6.4096  297.546   6.4096 0.000000 0.000000 
1 1 1   -1    0   26 o  507.727   6.5547  697.619   25.413  697.619   25.413  697.619   25.413  507.727   9.2698  507.727   9.2698 0.000000 0.000000 
1 1 1   -1    0   27 o  688.551   8.5270  1283.35   44.837  1283.35   44.837  1283.35   44.837  688.551   12.059  688.551   12.059 0.000000 0.000000 
1 1 1   -1    0   31 o  419.608   5.7378  476.392   18.383  476.392   18.383  476.392   18.383  419.608   8.1145  419.608   8.1145 0.000000 0.000000 
1 1 1   -1    0   32 o  565.447   7.2237  865.067   31.191  865.067   31.191  865.067   31.191  565.447   10.216  565.447   10.216 0.000000 0.000000 
1 1 1   -1    0   33 o  618.546   7.8053  1035.20   36.868  1035.20   36.868  1035.20   36.868  618.546   11.038  618.546   11.038 0.000000 0.000000 
1 1 1   -1    0   34 o  1270.77   15.209  4375.48  147.600  4375.48  147.600  4375.48  147.600  1270.77   21.509  1270.77   21.509 0.000000 0.000000 
1 1 1   -1    0   35 o  392.039   5.5996  415.878   16.761  415.878   16.761  415.878   16.761  392.039   7.9191  392.039   7.9191 0.000000 0.000000 
1 1 1   -1    0   36 o  1047.12   12.643  2969.31  101.102  2969.31  101.102  2969.31  101.102  1047.12   17.880  1047.12   17.880 0.000000 0.000000 
1 1 1   -1    0   37 o  412.709   5.8823  460.923   18.535  460.923   18.535  460.923   18.535  412.709   8.3188  412.709   8.3188 0.000000 0.000000 
1 1 1   -1    0   38 o  814.709   10.039  1797.14   62.457  1797.14   62.457  1797.14   62.457  814.709   14.197  814.709   14.197 0.000000 0.000000 
1 1 1   -1    0   39 o  229.742   5.4208  143.132   9.4931  143.132   9.4931  143.132   9.4931  229.742   7.6662  229.742   7.6662 0.000000 0.000000 
1 1 1   -1    0   40 o  433.216   6.1780  507.938   20.434  507.938   20.434  507.938   20.434  433.216   8.7370  433.216   8.7370 0.000000 0.000000 
1 1 1   -1    0   41 o  131.692   7.8117   47.877   7.7343   47.877   7.7343   47.877   7.7343  131.692   11.047  131.692   11.047 0.000000 0.000000 
1 1 1   -1    0   42 o  120.723   8.3465   40.536   7.5311   40.536   7.5311   40.536   7.5311  120.723   11.804  120.723   11.804 0.000000 0.000000 
1 1 1   -1    0   43 o  694.849   8.7787  1307.55   46.581  1307.55   46.581  1307.55   46.581  694.849   12.415  694.849   12.415 0.000000 0.000000 
1 1 1   -1    0   44 o  416.494   6.2040  469.683   19.726  469.683   19.726  469.683   19.726  416.494   8.7738  416.494   8.7738 0.000000 0.000000 
1 1 1   -1    0   45 o  879.120   15.318  2104.73  102.770  2104.73  102.770  2104.73  102.770  879.120   21.663  879.120   21.663 0.000000 0.000000 
1 1 1   -1    0   46 o  244.140   8.1881  162.432   15.198  162.432   15.198  162.432   15.198  244.140   11.580  244.140   11.580 0.000000 0.000000 
1 1 1   -1    0   47 o  516.953   9.9545  726.126   39.260  726.126   39.260  726.126   39.260  516.953   14.078  516.953   14.078 0.000000 0.000000 
1 1 1   -1    0   48 o  721.944   9.0903  1414.41   50.116  1414.41   50.116  1414.41   50.116  721.944   12.856  721.944   12.856 0.000000 0.000000 
1 1 1   -1    0   49 o  307.712   5.5520  256.706   13.036  256.706   13.036  256.706   13.036  307.712   7.8517  307.712   7.8517 0.000000 0.000000 
1 1 1   -1    0   50 o   44.874   15.814   8.1190   6.5897   8.1190   6.5897   8.1190   6.5897   44.874   22.365   44.874   22.365 0.000000 0.000000 
1 1 1   -1    0   51 o  141.200   6.9736   54.817   7.4405   54.817   7.4405   54.817   7.4405  141.200   9.8622  141.200   9.8622 0.000000 0.000000 
1 1 1   -1    0   52 o  255.310   5.3737  176.963   10.463  176.963   10.463  176.963   10.463  255.310   7.5996  255.310   7.5996 0.000000 0.000000 
1 1 1   -1    0   53 o  114.710   8.1428   36.820   6.9731   36.820   6.9731   36.820   6.9731  114.710   11.516  114.710   11.516 0.000000 0.000000 
1 1 1   -1    0   54 o  177.156   6.0454   85.692   8.1409   85.692   8.1409   85.692   8.1409  177.156   8.5495  177.156   8.5495 0.000000 0.000000 
1 1 1   -1    0   55 o   57.892   16.225   12.744   6.9188   12.744   6.9188   12.744   6.9188   57.892   22.946   57.892   22.946 0.000000 0.000000 
1 1 1   -1    0   56 o  126.736   11.612   46.261   10.725   46.261   10.725   46.261   10.725  126.736   16.421  126.736   16.421 0.000000 0.000000 
1 1 1   -1    0   59 o  199.594   5.9637  108.948   9.0593  108.948   9.0593  108.948   9.0593  199.594   8.4339  199.594   8.4339 0.000000 0.000000 
1 1 1   -1    0   60 o   42.855   16.073   7.6471   7.0842   7.6471   7.0842   7.6471   7.0842   42.855   22.731   42.855   22.731 0.000000 0.000000 
1 1 1   -1    0   61 o  364.560   5.9379  362.701   16.523  362.701   16.523  362.701   16.523  364.560   8.3975  364.560   8.3975 0.000000 0.000000 
1 1 1   -1    0   62 o  133.796   7.8820   50.156   7.9304   50.156   7.9304   50.156   7.9304  133.796   11.147  133.796   11.147 0.000000 0.000000 
1 1 1   -1    0   63 o  358.538   5.9359  351.537   16.244  351.537   16.244  351.537   16.244  358.538   8.3946  358.538   8.3946 0.000000 0.000000 
1 1 1   -1    0   64 o  293.049   5.7757  234.983   12.912  234.983   12.912  234.983   12.912  293.049   8.1680  293.049   8.1680 0.000000 0.000000 
1 1 1   -1    0   65 o   97.029   11.681   28.563   7.9078   28.563   7.9078   28.563   7.9078   97.029   16.520   97.029   16.520 0.000000 0.000000 
1 1 1   -1    0   66 o   23.021   11.449  -7.6457   7.8326  -7.6457   7.8326  -7.6457   7.8326   23.021   16.191   23.021   16.191 0.000000 0.000000 
1 1 1   -1    0   67 o  145.359   8.8797   60.152   9.6944   60.152   9.6944   60.152   9.6944  145.359   12.558  145.359   12.558 0.000000 0.000000 
1 1 1   -1    0   68 o  268.181   6.1843  198.631   12.644  198.631   12.644  198.631   12.644  268.181   8.7459  268.181   8.7459 0.000000 0.000000 
1 1 1   -1    0   69 o   33.131   14.875   2.7291   8.1937   2.7291   8.1937   2.7291   8.1937   33.131   21.036   33.131   21.036 0.000000 0.000000 
1 1 1   -1    0   70 o   60.950   18.181   16.589   8.5459   16.589   8.5459   16.589   8.5459   60.950   25.711   60.950   25.711 0.000000 0.000000 
1 1 1   -1    1    1 o  1323.29   15.760  4733.52  112.687  4684.83  158.087  4783.81  160.672  1316.38   22.224  1330.20   22.353 -13.82703 31.52098 
1 1 1   -1    1    2 o  2371.31   27.988 15222.00  358.573 15066.94  501.762 15383.84  512.610  2359.00   39.362  2383.62   39.798 -24.62354 55.97580 
1 1 1   -1    1    3 o  1106.84   13.228  3311.12   79.107  3274.30  110.685  3349.57  113.101  1100.55   18.612  1113.13   18.803 -12.57190 26.45688 
1 1 1   -1    1    4 o  1934.69   22.874 10134.83  239.130 10161.11  339.010 10108.80  337.356  1937.19   32.386  1932.20   32.311 4.983032 45.74739 
1 1 1   -1    1    5 o  721.016   8.7706  1405.21   34.170  1398.48   48.107  1412.06   48.544  719.275   12.377  722.757   12.430 -3.481934 17.54116 
1 1 1   -1    1    6 o  301.730   4.2418  246.006   6.9158  247.572   9.8277  244.470   9.7337  302.681   6.0087  300.779   5.9888 1.902435 8.483527 
1 1 1   -1    1    7 o  280.055   4.0485  211.921   6.1263  210.224   8.6126  213.658   8.7162  278.921   5.7144  281.189   5.7364 -2.268677 8.096921 
1 1 1   -1    1    8 o  623.889   7.6903  1052.08   25.926  1055.63   36.797  1048.58   36.533  624.934   10.897  622.844   10.855 2.089417 15.38052 
1 1 1   -1    1    9 f  796.524   9.6438  1715.19   41.504  1701.94   58.228  1728.87   59.175  793.400   13.582  799.648   13.695 -6.247559 19.28750 
1 1 1   -1    1   10 o  1670.55   19.816  7566.45  178.868  7519.30  251.296  7614.86  254.654  1665.29   27.926  1675.80   28.122 -10.50671 39.63179 
1 1 1   -1    1   11 o  918.853   11.057  2283.71   54.901  2292.00   77.952  2275.55   77.334  920.505   15.672  917.202   15.603 3.303345 22.11484 
1 1 1   -1    1   12 o  1292.44   15.394  4516.39  107.402  4637.69  156.081  4407.30  148.019  1308.87   22.068  1276.01   21.467 32.85840 30.78705 
1 1 1   -1    1   13 o  509.804   6.4606  701.432   17.780  681.695   24.482  723.461   25.863  502.228   9.0210  517.380   9.2510 -15.15250 12.92126 
1 1 1   -1    1   14 o  581.559   7.2561  914.045   22.801  906.609   31.999  921.714   32.497  579.157   10.225  583.960   10.298 -4.803101 14.51211 
1 1 1   -1    1   15 o  1014.08   12.164  2779.73   66.617  2725.27   92.312  2838.92   96.231  1003.74   17.020  1024.43   17.384 -20.68915 24.32832 
1 1 1   -1    1   16 o  922.867   11.120  2301.94   55.416  2254.99   76.725  2353.13   80.125  913.051   15.551  932.684   15.898 -19.63379 22.23922 
1 1 1   -1    1   17 o  828.537   10.043  1856.59   44.964  1848.31   63.298  1865.03   63.883  826.674   14.170  830.401   14.237 -3.727905 20.08653 
1 1 1   -1    1   18 o  268.293   4.1576  194.429   6.0258  198.083   8.6520  190.987   8.3972  270.740   5.9139  265.847   5.8454 4.892975 8.315238 
1 1 1   -1    1   19 o  424.888   5.6232  487.904   12.909  493.055   18.452  482.967   18.066  427.083   7.9953  422.694   7.9094 4.389069 11.24650 
1 1 1   -1    1   20 o  737.213   9.0284  1470.08   35.951  1496.82   51.758  1445.16   49.973  743.675   12.880  730.751   12.655 12.92444 18.05680 
1 1 1   -1    1   21 o  518.414   6.6179  726.818   18.539  728.177   26.272  725.470   26.164  518.896   9.3698  517.932   9.3484 0.9644165 13.23575 
1 1 1   -1    1   22 o  844.815   10.259  1933.00   46.833  1940.87   66.512  1925.27   65.955  846.515   14.540  843.115   14.477 3.399841 20.51831 
1 1 1   -1    1   23 o  393.230   5.3491  417.884   11.363  410.446   15.832  425.786   16.318  389.625   7.5197  396.836   7.6096 -7.210449 10.69824 
1 1 1   -1    1   24 o  984.146   11.876  2626.61   63.158  2626.20   89.322  2627.03   89.317  984.068   16.797  984.224   16.794 -0.1563110 23.75275 
1 1 1   -1    1   25 o  307.820   4.6104  256.128   7.6682  252.643   10.770  259.712   10.921  305.696   6.5197  309.943   6.5205 -4.247131 9.220848 
1 1 1   -1    1   26 o  181.105   3.9625   88.621   3.8769   90.453   5.5532   86.878   5.4150  182.930   5.6178  179.279   5.5896 3.650940 7.924902 
1 1 1   -1    1   27 o  221.059   4.9400  130.551   5.5748  136.847   9.7245  127.469   6.8038  224.960   7.9997  217.158   5.7981 7.801712 9.879959 
1 1 1   -1    1   28 f  671.253   16.659  1221.62   60.425  1221.62   60.425   0.0000   0.0000  671.253   16.659  ?   ?       ?      ? 
1 1 1   -1    1   30 o  713.580   17.742  1380.18   68.411  1380.18   68.411   0.0000   0.0000  713.580   17.742  ?   ?       ?      ? 
1 1 1   -1    1   31 o  695.490   8.6253  1308.04   32.402  1330.24   46.622  1287.29   45.066  701.187   12.305  689.792   12.090 11.39526 17.25055 
1 1 1   -1    1   32 f  141.438   4.7720   54.025   3.6456   55.593   5.2505   52.566   5.0657  143.417   6.7751  139.458   6.7221 3.958847 9.544033 
1 1 1   -1    1   33 o  360.486   5.2445  350.516   10.203  365.431   14.903  337.358   13.997  367.687   7.5007  353.284   7.3321 14.40222 10.48901 
1 1 1   -1    1   34 o  522.302   6.8086  737.648   19.216  737.068   27.198  738.226   27.154  522.097   9.6405  522.508   9.6172 -0.4108887 13.61727 
1 1 1   -1    1   35 f  589.789   7.5302  940.464   23.993  927.027   33.499  954.618   34.382  585.468   10.589  594.110   10.710 -8.641846 15.06032 
1 1 1   -1    1   36 f  426.788   5.9393  492.397   13.696  495.953   19.534  488.958   19.209  428.303   8.4401  425.274   8.3587 3.028687 11.87868 
1 1 1   -1    1   37 o  936.959   11.393  2377.82   57.675  2403.12   82.437  2353.56   80.719  941.827   16.198  932.091   16.026 9.735779 22.78630 
1 1 1   -1    1   38 f  294.986   5.1910  235.249   8.2743  233.956   11.658  236.563   11.746  294.169   7.3341  295.803   7.3482 -1.634033 10.38195 
1 1 1   -1    1   39 o  177.330   5.7683   85.020   5.5267   85.523   7.8886   84.536   7.7451  177.844   8.2087  176.816   8.1062 1.027420 11.53661 
1 1 1   -1    1   40 o  960.173   11.696  2499.84   60.686  2501.96   85.941  2497.74   85.705  960.575   16.557  959.772   16.525 0.8034058 23.39275 
1 1 1   -1    1   41 o  321.199   5.5622  278.972   9.6539  277.564   13.606  280.400   13.699  320.383   7.8594  322.015   7.8729 -1.632141 11.12442 
1 1 1   -1    1   42 o  964.223   11.759  2523.15   61.270  2519.04   86.508  2527.28   86.789  963.439   16.617  965.007   16.644 -1.568054 23.51855 
1 1 1   -1    1   43 o  914.742   11.207  2271.01   55.396  2276.09   78.525  2265.98   78.160  915.754   15.869  913.729   15.830 2.025635 22.41431 
1 1 1   -1    1   44 o  815.846   12.416  1808.12   51.556  1803.99   63.070  1816.44   89.508  815.339   14.315  816.354   20.291 -1.014404 24.83204 
1 1 1   -1    1   45 o  412.856   7.4448  466.470   15.846  446.171   26.458  477.824   19.787  405.594   12.072  420.118   8.7160 -14.52444 14.88959 
1 1 1   -1    1   46 o  207.159   8.2981  116.180   9.2890   0.0000   0.0000  116.180   9.2890  ?   ?   207.159   8.2981      ?      ? 
1 1 1   -1    1   47 o  426.447   7.5769  491.462   16.442  487.819   20.081  498.874   28.639  424.342   8.7575  428.552   12.367 -4.209534 15.15389 
1 1 1   -1    1   48 o  174.879   7.5052   82.225   6.7702   80.411   8.3620   85.676   11.535  172.224   8.9852  177.534   12.024 -5.310501 15.01047 
1 1 1   -1    1   49 o  225.212   5.6134  137.464   6.8308  136.897   9.7088  138.021   9.6124  224.747   7.9943  225.678   7.8824 -0.9304657 11.22680 
1 1 1   -1    1   50 o  277.534   5.4288  208.788   8.1388  201.223   11.411  216.621   11.611  272.409   7.7522  282.660   7.6020 -10.25064 10.85760 
1 1 1   -1    1   51 o  256.664   5.4525  178.202   7.5457  162.457   10.408  195.647   10.956  244.724   7.8704  268.603   7.5481 -23.87997 10.90491 
1 1 1   -1    1   52 o  331.143   5.5657  297.653   9.9591  295.312   14.040  300.025   14.129  329.831   7.8774  332.455   7.8648 -2.623688 11.13149 
1 1 1   -1    1   53 o  378.426   5.8305  389.294   11.922  391.634   16.989  387.024   16.733  379.536   8.2839  377.317   8.2071 2.218811 11.66107 
1 1 1   -1    1   54 o  277.029   5.3924  208.562   8.0722  207.828   11.420  209.294   11.411  276.539   7.6423  277.519   7.6096 -0.9804077 10.78474 
1 1 1   -1    1   55 o  101.076   8.9873   28.144   4.9044   27.460   7.0263   28.793   6.8489   99.832   13.025  102.321   12.387 -2.489510 17.97458 
1 1 1   -1    1   56 o  411.007   8.7067  465.662   19.331  481.531   27.633  450.450   27.054  417.914   12.236  404.099   12.390 13.81454 17.41340 
1 1 1   -1    1   58 o  224.592   12.536  140.113   15.214  140.113   15.214   0.0000   0.0000  224.592   12.536  ?   ?       ?      ? 
1 1 1   -1    1   59 o  292.237   6.9851  231.746   10.202  244.144   18.517  226.342   12.225  296.767   11.547  287.706   7.8635 9.061798 13.97019 
1 1 1   -1    1   60 o  158.070   6.8023   68.992   5.7987   64.214   8.2139   73.739   8.1874  152.489   9.9684  163.651   9.2585 -11.16179 13.60469 
1 1 1   -1    1   61 o  330.251   5.7540  299.301   10.264  302.542   14.775  296.278   14.268  331.914   8.2380  328.589   8.0356 3.324738 11.50807 
1 1 1   -1    1   62 o  106.935   9.3682   32.758   5.3167   26.266   7.5824   39.038   7.4570   95.842   14.641  118.028   11.692 -22.18604 18.73647 
1 1 1   -1    1   63 o  180.955   6.6132   90.572   6.4552   83.481   8.9148   98.387   9.3595  173.448   9.5116  188.462   9.1905 -15.01471 13.22636 
1 1 1   -1    1   64 o  112.225   9.3686   36.016   5.6519   32.093   8.0082   39.910   7.9779  105.768   14.012  118.681   12.440 -12.91314 18.73720 
1 1 1   -1    1   65 o  211.121   6.3114  123.612   7.1942  130.429   10.397  117.352   9.9647  216.727   8.8782  205.516   8.9728 11.21100 12.62279 
1 1 1   -1    1   66 o  145.444   8.1594   60.465   6.3928   54.408   8.8931   66.942   9.1961  137.613   11.959  153.275   11.103 -15.66258 16.31883 
1 1 1   -1    1   67 f  274.779   6.1237  210.290   9.0912  211.232   12.979  209.383   12.738  275.322   8.7239  274.236   8.5961 1.086395 12.24739 
1 1 1   -1    1   68 o  131.630   9.2070   51.082   6.5090   47.013   9.4352   54.776   8.9912  125.902   13.869  137.358   12.114 -11.45560 18.41405 
1 1 1   -1    1   69 o   76.364   14.336   20.332   6.0139   19.771   8.7966   20.824   8.2405   74.737   20.943   77.990   19.582 -3.252609 28.67127 
1 1 1   -1    1   70 o  151.385   8.4211   68.737   6.8056   59.319   9.8182   77.447   9.4420  140.013   12.977  162.757   10.736 -22.74393 16.84226 
1 1 1   -1    2    1 o  907.659   10.911  2226.81   53.514  2225.52   75.618  2228.11   75.743  907.396   15.422  907.923   15.439 -0.5271606 21.82166 
1 1 1   -1    2    2 o  924.213   11.140  2308.29   55.619  2336.57   79.725  2281.48   77.631  929.722   15.869  918.704   15.638 11.01801 22.27931 
1 1 1   -1    2    3 o  2048.43   24.218 11368.99  268.072 11355.60  378.620 11382.45  379.604  2047.22   34.226  2049.63   34.274 -2.410034 48.43673 
1 1 1   -1    2    4 o  689.298   8.4373  1284.23   31.425  1293.68   44.759  1275.04   44.130  691.798   11.973  686.798   11.891 4.999573 16.87460 
1 1 1   -1    2    5 o  829.330   10.016  1859.45   44.876  1883.95   64.310  1836.19   62.652  834.648   14.259  824.012   14.071 10.63635 20.03244 
1 1 1   -1    2    6 o  1199.01   14.290  3891.13   92.576  3927.90  132.196  3855.74  129.685  1204.56   20.310  1193.46   20.109 11.09387 28.58073 
1 1 1   -1    2    7 o  1079.49   12.899  3149.59   75.190  3083.20  103.979  3222.36  108.858  1067.59   18.024  1091.39   18.458 -23.79443 25.79873 
1 1 1   -1    2    8 o  506.616   6.4050  693.379   17.529  682.558   24.439  704.845   25.156  502.547   8.9996  510.684   9.1160 -8.136963 12.80993 
1 1 1   -1    2    9 o  924.277   11.113  2310.35   55.502  2293.27   77.949  2327.91   79.047  920.816   15.666  927.737   15.768 -6.920959 22.22692 
1 1 1   -1    2   10 o  525.620   6.6197  746.289   18.793  732.062   26.096  761.615   27.086  520.422   9.2797  530.819   9.4431 -10.39679 13.23949 
1 1 1   -1    2   11 o  1089.08   13.024  3208.99   76.637  3239.34  109.442  3179.79  107.352  1094.13   18.511  1084.04   18.326 10.08850 26.04821 
1 1 1   -1    2   12 f  335.142   4.6555  303.087   8.4235  293.679   11.616  313.524   12.234  329.664   6.5205  340.620   6.6467 -10.95547 9.310983 
1 1 1   -1    2   13 o  907.158   10.930  2224.88   53.569  2249.63   76.645  2201.25   74.902  912.084   15.551  902.232   15.363 9.851563 21.86023 
1 1 1   -1    2   14 o  101.244   3.6234   27.679   1.9816   26.686   2.7650   28.727   2.8413   99.379   5.1489  103.109   5.0995 -3.730629 7.246831 
1 1 1   -1    2   15 o  2321.87   27.531 14660.15  345.403 14582.23  485.807 14739.80  491.185  2315.67   38.824  2328.06   39.045 -12.39185 55.06165 
1 1 1   -1    2   16 o  167.384   3.5380   75.706   3.2000   76.146   4.5396   75.271   4.5115  167.868   5.0045  166.900   5.0024 0.9681396 7.075941 
1 1 1   -1    2   17 f  982.939   11.819  2614.18   62.774  2610.22   88.608  2618.17   88.944  982.194   16.695  983.684   16.733 -1.490723 23.63721 
1 1 1   -1    2   18 o  564.549   7.1028  860.630   21.650  838.751   29.878  884.817   31.414  557.008   9.9267  572.091   10.162 -15.08344 14.20569 
1 1 1   -1    2   19 f  1298.74   15.506  4573.94  108.776  4647.43  156.426  4505.12  151.365  1308.79   22.118  1288.69   21.737 20.10229 31.01122 
1 1 1   -1    2   20 o  341.994   4.8408  316.145   8.9454  317.835   12.729  314.496   12.574  342.897   6.8698  341.092   6.8219 1.804413 9.681602 
1 1 1   -1    2   21 o  633.484   7.8753  1085.68   26.957  1092.32   38.348  1079.19   37.902  635.398   11.169  631.570   11.106 3.827148 15.75069 
1 1 1   -1    2   22 o  427.542   5.6879  494.216   13.140  497.467   18.700  491.045   18.468  428.930   8.0681  426.154   8.0198 2.775360 11.37590 
1 1 1   -1    2   23 o  617.949   7.7210  1033.27   25.782  1032.43   36.424  1034.11   36.498  617.698   10.912  618.200   10.926 -0.5027466 15.44197 
1 1 1   -1    2   24 o  123.717   5.8099   41.373   3.8840   0.0000   0.0000   41.373   3.8840  ?   ?   123.717   5.8099      ?      ? 
1 1 1   -1    2   25 o  411.329   5.5623  456.841   12.351  442.424   17.010  472.918   17.962  404.479   7.7827  418.178   7.9490 -13.69891 11.12462 
1 1 1   -1    2   26 o  668.155   8.2904  1208.18   29.926  1222.79   42.847  1194.26   41.816  672.091   11.798  664.220   11.650 7.870605 16.58077 
1 1 1   -1    2   27 o  244.035   5.8480  161.037   7.7110  160.383   10.824  161.712   10.988  243.533   8.2248  244.537   8.3157 -1.004379 11.69608 
1 1 1   -1    2   28 o  741.349   12.945  1464.48   51.118  1344.37   65.947  1645.27   80.909  704.102   17.333  778.595   19.231 -74.49335 25.88927 
1 1 1   -1    2   29 o  278.915   9.4039  210.383   14.173  210.383   14.173   0.0000   0.0000  278.915   9.4039  ?   ?       ?      ? 
1 1 1   -1    2   30 o  1304.44   22.200  4642.79  156.473  4619.37  220.228  4666.67  222.362  1301.14   31.323  1307.73   31.467 -6.585083 44.39904 
1 1 1   -1    2   31 o  879.294   13.129  2097.30   58.827  2089.64  101.710  2101.15   72.111  877.633   21.447  880.955   15.148 -3.321045 26.25717 
1 1 1   -1    2   32 o  625.537   7.8793  1058.19   26.632  1063.87   37.918  1052.66   37.413  627.191   11.188  623.883   11.098 3.308167 15.75858 
1 1 1   -1    2   33 o  550.798   7.0972  820.335   21.123  820.459   29.924  820.211   29.822  550.839   10.053  550.757   10.020 0.8160400E-01 14.19432 
1 1 1   -1    2   34 o  584.230   7.4609  922.088   23.536  898.917   32.515  947.587   34.110  576.535   10.437  591.924   10.664 -15.38940 14.92172 
1 1 1   -1    2   35 o  229.391   4.7448  142.208   5.8806  143.391   8.3972  141.069   8.2379  230.327   6.7469  228.456   6.6731 1.871506 9.489504 
1 1 1   -1    2   36 o  1095.48   13.202  3252.82   78.149  3247.38  110.372  3258.30  110.668  1094.57   18.661  1096.40   18.679 -1.836426 26.40343 
1 1 1   -1    2   37 o  271.276   4.9964  198.538   7.3166  208.107   10.644  189.969   10.073  277.459   7.0997  265.093   7.0322 12.36588 9.992866 
1 1 1   -1    2   38 o  182.284   5.4178   89.607   5.3280   96.904   7.7417   83.040   7.3439  189.318   7.5676  175.249   7.7550 14.06816 10.83553 
1 1 1   -1    2   39 o  331.605   5.4468  297.306   9.7596  297.590   13.874  297.027   13.732  331.761   7.7389  331.450   7.6668 0.3115845 10.89360 
1 1 1   -1    2   40 o  216.243   5.6393  125.867   6.5738  137.862   9.6613  115.527   8.9705  225.794   7.9184  206.693   8.0316 19.10072 11.27867 
1 1 1   -1    2   42 o  377.170   5.8618  384.493   11.941  393.779   17.231  375.914   16.562  381.544   8.3578  372.796   8.2214 8.748627 11.72362 
1 1 1   -1    2   43 o  794.694   12.029  1729.81   49.400  1766.96   61.823  1664.19   82.163  807.230   14.173  782.158   19.440 25.07239 24.05795 
1 1 1   -1    2   44 o  513.995   8.5370  711.758   22.281  703.523   27.128  728.829   39.059  509.732   9.8488  518.258   13.947 -8.525909 17.07392 
1 1 1   -1    2   45 o  405.319   7.5121  441.279   15.256  455.631   27.483  434.888   18.341  409.819   12.410  400.818   8.4680 9.001617 15.02411 
1 1 1   -1    2   46 o  545.860   8.8944  805.867   24.652  817.342   43.111  800.292   30.050  548.309   14.551  543.410   10.234 4.899170 17.78889 
1 1 1   -1    2   47 o  209.231   6.9405  115.578   7.4136  128.086   13.083  109.663   8.9976  217.245   11.145  201.217   8.2751 16.02835 13.88104 
1 1 1   -1    2   48 o  357.329   6.9549  348.277   12.809  352.772   15.942  340.090   21.515  360.827   8.1764  353.831   11.253 6.995361 13.90974 
1 1 1   -1    2   49 o  244.755   5.5338  161.557   7.2997  178.025   10.733  147.386   9.9569  256.311   7.7496  233.200   7.9015 23.11057 11.06754 
1 1 1   -1    2   50 o  373.218   5.8202  377.679   11.734  368.563   16.342  387.382   16.859  368.577   8.2050  377.860   8.2569 -9.282959 11.64036 
1 1 1   -1    2   51 o  627.784   8.1235  1073.93   27.557  1076.65   39.136  1071.25   38.809  628.558   11.522  627.011   11.454 1.546997 16.24707 
1 1 1   -1    2   52 o  223.653   5.5784  136.002   6.7316  129.956   9.6343  141.769   9.4094  218.753   8.1504  228.553   7.6188 -9.799911 11.15687 
1 1 1   -1    2   53 o  304.729   5.5036  251.949   9.0562  240.792   12.549  264.073   13.082  297.696   7.8011  311.763   7.7654 -14.06735 11.00724 
1 1 1   -1    2   54 o  110.952   8.3028   33.460   4.9516   38.693   7.3424   29.094   6.7060  118.888   11.429  103.017   12.047 15.87054 16.60560 
1 1 1   -1    2   55 o   49.262   13.844   3.0249   5.3653   7.4482   9.0553   0.6319   6.6603   57.481   21.556   41.044   17.377 16.43705 27.68840 
1 1 1   -1    2   56 o  186.305   8.3606   95.526   8.4094   90.068   11.749  101.261   12.042  180.790   12.026  191.820   11.618 -11.03047 16.72128 
1 1 1   -1    2   57 o  135.560   16.609   51.734   12.167   51.734   12.167   0.0000   0.0000  135.560   16.609  ?   ?       ?      ? 
1 1 1   -1    2   58 o   78.108   16.250   18.283   7.5266   24.032   10.754   12.764   10.537   88.723   22.422   67.494   23.527 21.22952 32.50021 
1 1 1   -1    2   59 o  263.408   8.0357  192.434   11.426  184.730   16.281  199.910   16.038  258.025   11.677  268.791   11.042 -10.76593 16.07130 
1 1 1   -1    2   60 o  173.636   6.4897   82.854   6.0842   86.899   8.8087   79.164   8.4138  177.683   9.1744  169.588   9.1813 8.094360 12.97946 
1 1 1   -1    2   61 o  154.408   6.9496   65.360   5.7729   73.286   8.6460   58.984   7.7548  162.780   9.8294  146.037   9.8270 16.74336 13.89916 
1 1 1   -1    2   62 o  240.738   5.8506  159.468   7.6090  164.322   10.870  154.805   10.655  244.350   8.2326  237.126   8.3152 7.224655 11.70119 
1 1 1   -1    2   63 o  150.055   7.3938   62.694   5.9881   66.978   8.6812   58.805   8.2705  154.976   10.366  145.134   10.546 9.842087 14.78762 
1 1 1   -1    2   64 o  189.998   6.4828  100.105   6.6537  102.770   9.5519   97.592   9.2737  192.443   9.1855  187.552   9.1505 4.891708 12.96550 
1 1 1   -1    2   65 o   78.630   13.373   19.399   5.6222   21.570   8.1068   17.388   7.8039   83.141   18.519   74.120   19.296 9.020752 26.74509 
1 1 1   -1    2   66 o  153.766   7.5742   67.024   6.2702   75.149   9.0728   59.595   8.6754  162.951   10.304  144.582   11.104 18.36888 15.14837 
1 1 1   -1    2   67 o   41.461   18.310  -0.1849   8.0468   0.0000   0.0000  -0.1849   8.0468  ?   ?    41.461   18.310      ?      ? 
1 1 1   -1    2   68 o  103.178   11.413   32.717   6.1440   39.926   9.1226   26.732   8.3118  115.059   14.673   91.297   17.485 23.76138 22.82550 
1 1 1   -1    2   69 o   59.173   14.190   10.554   5.9237   19.183   8.8171   3.4555   7.9975   73.623   21.085   44.724   18.994 28.89975 28.37904 
1 1 1   -1    2   70 o   99.745   11.717   32.234   6.1693   35.605   9.0859   29.351   8.4034  105.503   15.937   93.987   17.179 11.51624 23.43349 
1 1 1   -1    3    1 o  771.802   9.3717  1610.47   39.085  1608.16   55.192  1612.80   55.358  771.246   13.243  772.358   13.264 -1.112122 18.74349 
1 1 1   -1    3    2 o  1135.96   13.568  3490.65   83.264  3538.71  119.444  3445.22  116.134  1143.56   19.329  1128.37   19.047 15.18176 27.13663 
1 1 1   -1    3    3 o  855.288   10.334  1978.14   47.752  1995.79   68.194  1961.16   66.889  859.026   14.691  851.550   14.536 7.476501 20.66717 
1 1 1   -1    3    4 o  785.956   9.5357  1670.23   40.494  1655.23   56.751  1685.78   57.797  782.365   13.424  789.547   13.547 -7.182068 19.07133 
1 1 1   -1    3    5 o  389.648   5.1941  410.190   10.935  404.300   15.300  416.339   15.633  386.790   7.3205  392.506   7.3707 -5.716095 10.38826 
1 1 1   -1    3    6 f  483.407   6.1697  630.688   16.101  650.148   23.406  613.210   22.182  490.474   8.8312  476.340   8.6180 14.13336 12.33937 
1 1 1   -1    3    7 o  678.625   8.3229  1244.90   30.521  1242.41   43.086  1247.41   43.240  677.944   11.761  679.305   11.780 -1.361511 16.64587 
1 1 1   -1    3    8 o  1808.85   21.447  8874.37  209.627  8923.60  298.168  8826.25  294.775  1813.79   30.422  1803.91   30.240 9.879395 42.89499 
1 1 1   -1    3    9 o  460.342   5.9300  572.714   14.751  568.723   20.751  576.791   20.971  458.721   8.3716  461.963   8.4010 -3.241669 11.86004 
1 1 1   -1    3   10 o  870.862   10.515  2051.13   49.481  2050.79   69.985  2051.47   69.969  870.789   14.873  870.934   14.867 -0.1448364 21.02970 
1 1 1   -1    3   11 o  682.547   8.3765  1259.40   30.895  1259.37   43.680  1259.42   43.703  682.540   11.843  682.555   11.849 -0.1458740E-01 16.75292 
1 1 1   -1    3   12 o  683.157   8.3898  1261.21   30.963  1278.47   44.393  1244.85   43.209  687.705   11.946  678.609   11.783 9.096375 16.77952 
1 1 1   -1    3   13 o  608.521   7.5622  1000.66   24.861  1012.72   35.584  989.167   34.749  612.100   10.758  604.943   10.630 7.157227 15.12435 
1 1 1   -1    3   14 o  1001.28   12.015  2711.86   65.005  2704.96   91.680  2718.84   92.183  999.998   16.966  1002.56   17.016 -2.559021 24.02909 
1 1 1   -1    3   15 o  690.104   8.4790  1287.20   31.611  1304.69   45.312  1270.61   44.122  694.667   12.071  685.541   11.911 9.126343 16.95797 
1 1 1   -1    3   16 o  291.473   4.3479  229.576   6.8478  230.344   9.7270  228.821   9.6420  291.956   6.1656  290.989   6.1320 0.9663391 8.695724 
1 1 1   -1    3   17 o  1283.19   15.296  4458.62  106.038  4402.70  148.033  4517.55  151.964  1274.94   21.487  1291.42   21.776 -16.47876 30.59262 
1 1 1   -1    3   18 o  374.832   5.1283  378.933   10.373  364.755   14.225  395.034   15.159  367.362   7.1659  382.302   7.3380 -14.94037 10.25655 
1 1 1   -1    3   19 o  531.279   6.7530  763.216   19.386  757.126   27.223  769.481   27.612  529.130   9.5209  533.427   9.5794 -4.296997 13.50600 
1 1 1   -1    3   20 o  156.818   3.7904   66.362   3.2095   69.270   4.6500   63.716   4.4353  160.094   5.3751  153.543   5.3457 6.551544 7.580825 
1 1 1   -1    3   21 o  210.510   3.9176  119.772   4.4564  119.742   6.3092  119.802   6.2954  210.484   5.5471  210.537   5.5336 -0.5281067E-01 7.835279 
1 1 1   -1    3   22 o  1125.95   13.518  3439.28   82.226  3487.77  117.979  3393.47  114.663  1133.63   19.260  1118.27   18.975 15.35669 27.03684 
1 1 1   -1    3   23 f  280.857   4.3850  213.184   6.6542  209.116   9.3389  217.379   9.4838  278.136   6.2137  283.578   6.1890 -5.442596 8.770041 
1 1 1   -1    3   24 o  590.976   7.4377  945.079   23.752  943.572   33.559  946.591   33.622  590.504   10.517  591.448   10.520 -0.9437866 14.87544 
1 1 1   -1    3   25 o  172.878   4.0037   80.677   3.7351   74.919   5.1874   86.876   5.3823  166.480   5.7664  179.276   5.5559 -12.79604 8.007463 
1 1 1   -1    3   26 o  193.618   5.4529  101.033   5.6957   94.865   7.7984  108.086   8.3385  187.305   7.7049  199.931   7.7183 -12.62593 10.90583 
1 1 1   -1    3   27 o  136.071   5.8548   50.082   4.3036   48.761   6.0943   51.396   6.0782  134.279   8.3990  137.863   8.1591 -3.584167 11.70954 
1 1 1   -1    3   28 o  711.823   17.539  1373.87   67.461  1373.87   67.461   0.0000   0.0000  711.823   17.539  ?   ?       ?      ? 
1 1 1   -1    3   29 o  497.920   9.2644  670.469   24.914  652.928   34.576  689.414   35.932  491.157   13.027  504.683   13.176 -13.52646 18.52887 
1 1 1   -1    3   30 o  667.833   11.833  1208.33   42.703  1208.33   60.547  1208.33   60.235  667.829   16.778  667.838   16.691 -0.9460449E-02 23.66647 
1 1 1   -1    3   31 o  1027.06   15.198  2869.08   79.749  2837.84  136.894  2885.13   98.118  1022.15   24.785  1031.98   17.595 -9.835693 30.39503 
1 1 1   -1    3   32 o  1297.20   15.523  4563.46  108.807  4556.28  153.616  4570.69  154.137  1296.18   21.932  1298.22   21.972 -2.038818 31.04515 
1 1 1   -1    3   33 o  690.607   8.5973  1289.75   32.075  1307.75   45.992  1272.71   44.756  695.290   12.241  685.923   12.075 9.366821 17.19465 
1 1 1   -1    3   34 f  884.458   10.776  2117.67   51.498  2103.39   72.357  2132.34   73.310  881.441   15.191  887.475   15.287 -6.034180 21.55160 
1 1 1   -1    3   35 o  142.068   5.5805   54.553   4.2833   55.023   6.1251   54.103   5.9921  142.667   7.9451  141.469   7.8385 1.197433 11.16096 
1 1 1   -1    3   36 o  454.218   6.2080  557.704   15.235  550.318   21.328  565.399   21.770  451.149   8.7487  457.287   8.8100 -6.137878 12.41597 
1 1 1   -1    3   37 o  901.279   10.997  2200.52   53.555  2205.56   75.931  2195.52   75.547  902.304   15.573  900.254   15.530 2.050293 21.99316 
1 1 1   -1    3   38 o  712.238   8.9128  1372.94   34.297  1357.06   47.987  1389.53   49.038  708.035   12.542  716.441   12.667 -8.406250 17.82569 
1 1 1   -1    3   39 o  948.717   11.563  2439.61   59.277  2435.69   83.735  2443.55   83.928  947.953   16.347  949.480   16.358 -1.527222 23.12576 
1 1 1   -1    3   40 f  778.089   9.6646  1639.88   40.635  1633.22   57.293  1646.62   57.641  776.502   13.654  779.677   13.681 -3.174377 19.32923 
1 1 1   -1    3   42 o   91.005   13.539   21.597   6.2709   16.472   7.7511   31.306   10.669   76.346   18.891  105.663   19.401 -29.31706 27.07899 
1 1 1   -1    3   43 o  613.059   9.7420  1016.00   30.323  1010.31   36.970  1027.70   53.008  610.803   11.201  615.315   15.943 -4.512634 19.48404 
1 1 1   -1    3   44 o  379.224   7.3145  394.612   14.119  374.099   24.150  405.264   17.403  371.471   12.031  386.978   8.3222 -15.50641 14.62906 
1 1 1   -1    3   45 o  693.467   10.860  1302.59   37.998  1321.40   67.257  1293.78   46.052  696.354   17.874  690.580   12.341 5.774170 21.72042 
1 1 1   -1    3   46 o  175.815   6.3252   83.629   5.9967   85.052   8.8005   82.395   8.1934  177.198   9.1910  174.432   8.6926 2.765579 12.65047 
1 1 1   -1    3   47 f   64.789   12.803   12.306   5.5978  -2.5045   9.7019   19.697   6.8537   45.915   20.199   83.663   15.738 -37.74743 25.60633 
1 1 1   -1    3   48 o   81.031   12.091   18.672   5.1210   17.810   7.4493   19.444   7.0514   79.109   17.850   82.952   16.312 -3.843033 24.18117 
1 1 1   -1    3   49 o  504.845   8.4082  696.579   21.818  703.453   27.051  683.784   36.905  508.997   9.8353  500.692   13.640 8.305054 16.81644 
1 1 1   -1    3   50 f  185.949   5.9975   93.585   6.0180   99.782   8.7786   88.092   8.2659  191.741   8.4727  180.158   8.4908 11.58333 11.99500 
1 1 1   -1    3   51 o  258.668   5.4340  181.480   7.5912  181.585   10.918  181.381   10.562  258.725   7.8092  258.612   7.5583 0.1130981 10.86792 
1 1 1   -1    3   52 o  458.904   6.4697  572.793   16.042  574.226   22.857  571.402   22.520  459.451   9.2063  458.358   9.0923 1.092834 12.93933 
1 1 1   -1    3   53 o  159.593   6.3933   68.973   5.4987   75.345   8.1261   63.592   7.4682  166.355   9.0398  152.830   9.0431 13.52579 12.78657 
1 1 1   -1    3   54 o  354.956   5.7259  342.774   10.980  338.754   15.633  346.687   15.426  352.872   8.1986  357.040   7.9955 -4.167816 11.45184 
1 1 1   -1    3   55 o  218.509   7.9275  130.616   9.3454  121.464   12.847  140.901   13.619  210.377   11.301  226.641   11.120 -16.26405 15.85508 
1 1 1   -1    3   56 o  274.519   7.6937  206.344   11.393  196.644   15.555  217.568   16.733  267.632   10.756  281.406   11.004 -13.77426 15.38743 
1 1 1   -1    3   57 o  164.585   8.4792   70.922   7.1644   63.212   8.6737   87.477   12.710  151.641   10.585  177.528   13.249 -25.88612 16.95849 
1 1 1   -1    3   58 o  205.025   8.6986  116.612   9.6163  118.446   14.113  115.022   13.138  206.366   12.656  203.683   11.937 2.682922 17.39717 
1 1 1   -1    3   59 o  116.996   12.647   39.438   7.9812   37.928   11.470   40.856   11.113  114.561   18.528  119.432   17.219 -4.870758 25.29422 
1 1 1   -1    3   60 o  382.115   6.0637  400.672   12.515  384.849   17.445  417.449   17.963  374.313   8.6250  389.918   8.5254 -15.60480 12.12733 
1 1 1   -1    3   61 o   47.754   12.695   3.9087   4.9904  -2.9493   7.3330   9.8249   6.8109   37.448   16.936   58.061   18.916 -20.61303 25.38924 
1 1 1   -1    3   62 o  276.376   5.7114  210.187   8.5254  208.068   12.213  212.201   11.907  274.928   8.2206  277.824   7.9311 -2.895508 11.42282 
1 1 1   -1    3   63 o  184.826   6.4597   94.509   6.4406   96.060   9.4165   93.147   8.8286  186.136   9.3621  183.516   8.9028 2.619492 12.91931 
1 1 1   -1    3   64 o   70.090   13.521   15.054   5.3870   20.372   7.9831   10.608   7.2994   80.959   18.634   59.222   19.596 21.73742 27.04163 
1 1 1   -1    3   65 o  116.161   9.2038   38.291   5.7459   44.085   8.5948   33.609   7.7262  124.132   12.813  108.191   13.216 15.94082 18.40760 
1 1 1   -1    3   66 o   65.196   13.691   12.905   5.6172   21.540   8.3968   5.9094   7.5572   81.352   19.378   49.039   19.345 32.31335 27.38118 
1 1 1   -1    3   67 o  183.260   9.6525   94.183   9.5586   0.0000   0.0000   94.183   9.5586  ?   ?   183.260   9.6525      ?      ? 
1 1 1   -1    3   68 o   81.691   14.090   22.915   6.1756   24.978   8.8256   20.936   8.6445   85.836   19.475   77.546   20.367 8.289650 28.17947 
1 1 1   -1    3   69 o   48.957   13.906   5.6329   5.6799   9.7024   8.5847   2.4645   7.5749   55.212   20.926   42.702   18.319 12.50959 27.81146 
1 1 1   -1    3   70 o   84.693   13.212   25.356   6.1078   17.430   8.7492   32.892   8.5305   67.742   21.378  101.644   15.531 -33.90260 26.42419 
1 1 1   -1    4    1 o  767.161   9.4021  1589.54   38.944  1551.74   53.761  1631.26   56.489  757.583   13.133  776.738   13.459 -19.15546 18.80430 
1 1 1   -1    4    2 o  945.845   11.385  2419.01   58.177  2445.65   83.251  2393.58   81.331  950.928   16.202  940.762   15.999 10.16583 22.76960 
1 1 1   -1    4    3 o  1899.96   22.525  9789.35  231.253  9821.24  328.406  9757.99  325.692  1903.01   31.936  1896.91   31.774 6.102051 45.05014 
1 1 1   -1    4    5 o  443.590   5.7888  531.426   13.869  542.324   19.999  521.329   19.250  447.967   8.2616  439.212   8.1110 8.754730 11.57769 
1 1 1   -1    4    6 o  974.264   11.701  2567.21   61.599  2549.55   86.481  2585.39   87.762  970.868   16.484  977.660   16.612 -6.792053 23.40298 
1 1 1   -1    4    7 f  715.301   8.7673  1383.35   33.887  1388.04   48.112  1378.73   47.737  716.502   12.427  714.099   12.371 2.402832 17.53458 
1 1 1   -1    4    8 o  1313.54   15.643  4672.32  111.029  4697.02  157.946  4648.19  156.108  1316.96   22.195  1310.11   22.051 6.843384 31.28656 
1 1 1   -1    4    9 o  316.761   4.5285  270.976   7.7487  264.513   10.791  277.856   11.134  312.864   6.3828  320.658   6.4257 -7.793518 9.057018 
1 1 1   -1    4   10 o  767.467   9.3472  1591.82   38.751  1616.61   55.662  1568.50   53.982  773.260   13.321  761.674   13.116 11.58624 18.69432 
1 1 1   -1    4   11 o  1058.89   12.685  3031.43   72.554  3084.41  104.419  2981.98  100.886  1067.82   18.097  1049.96   17.782 17.85718 25.37065 
1 1 1   -1    4   12 o  1669.57   19.806  7553.31  178.683  7552.70  252.664  7553.92  252.727  1669.50   28.007  1669.64   28.012 -0.1350098 39.61132 
1 1 1   -1    4   13 o  362.010   4.9910  354.089   9.7623  358.098   13.931  350.221   13.684  364.023   7.0823  359.997   7.0344 4.025574 9.982069 
1 1 1   -1    4   14 o  993.570   11.940  2670.67   64.106  2665.52   90.499  2675.85   90.822  992.611   16.872  994.530   16.900 -1.918701 23.88070 
1 1 1   -1    4   15 o  132.250   5.2341   47.262   3.7405   0.0000   0.0000   47.262   3.7405  ?   ?   132.250   5.2341      ?      ? 
1 1 1   -1    4   16 o  464.634   6.0502  583.395   15.188  576.441   21.280  590.616   21.685  461.812   8.5276  467.455   8.5847 -5.642548 12.10032 
1 1 1   -1    4   17 o  813.032   9.8898  1788.01   43.447  1799.38   61.845  1776.94   61.048  815.580   14.033  810.484   13.939 5.095398 19.77951 
1 1 1   -1    4   18 o  567.858   7.1595  871.346   21.956  852.550   30.433  891.750   31.708  561.482   10.031  574.235   10.219 -12.75385 14.31896 
1 1 1   -1    4   19 o  1063.88   12.788  3067.19   73.489  3018.43  102.232  3119.32  105.714  1055.17   17.930  1072.59   18.239 -17.42554 25.57660 
1 1 1   -1    4   20 o  207.755   3.9369  116.638   4.4188  117.575   6.3211  115.742   6.1796  208.570   5.6086  206.939   5.5263 1.631607 7.873737 
1 1 1   -1    4   21 o  1107.29   13.304  3326.49   79.603  3334.27  112.862  3318.78  112.293  1108.57   18.841  1106.01   18.789 2.565918 26.60828 
1 1 1   -1    4   22 o  275.447   4.3877  205.095   6.5305  204.128   9.2564  206.053   9.2148  274.800   6.2336  276.094   6.1764 -1.293793 8.775304 
1 1 1   -1    4   23 o  350.125   4.9999  331.402   9.4591  328.282   13.299  334.595   13.457  348.458   7.0630  351.792   7.0788 -3.334106 9.999769 
1 1 1   -1    4   24 o  561.856   7.1332  854.130   21.656  848.054   30.445  860.353   30.810  559.836   10.064  563.877   10.112 -4.041138 14.26643 
1 1 1   -1    4   25 o  423.390   7.9812  484.875   18.250  475.901   25.309  494.595   26.340  419.320   11.170  427.461   11.403 -8.140411 15.96244 
1 1 1   -1    4   26 o  371.172   7.2695  372.750   14.580  374.324   20.607  371.171   20.632  371.958   10.252  370.385   10.309 1.572723 14.53897 
1 1 1   -1    4   27 o   76.654   8.2879   16.191   3.2652   11.779   4.4780   21.200   4.7713   64.783   13.239   88.526   9.9742 -23.74354 16.57584 
1 1 1   -1    4   28 o  999.881   14.830  2714.23   75.504  2714.37   92.448  2713.96  130.847  1000.72   17.096  999.042   24.238 1.678650 29.66047 
1 1 1   -1    4   29 o  1113.88   19.044  3376.57  114.610  3342.34  160.523  3412.16  163.690  1108.16   26.807  1119.59   27.057 -11.43787 38.08780 
1 1 1   -1    4   30 o  465.820   8.8893  587.075   22.374  579.054   31.472  595.270   31.815  462.603   12.590  469.038   12.552 -6.434845 17.77862 
1 1 1   -1    4   31 o  598.593   7.6163  967.167   24.595  999.698   36.047  938.834   33.641  607.981   10.972  589.204   10.566 18.77698 15.23269 
1 1 1   -1    4   32 o  566.969   7.2670  869.193   22.264  863.688   31.362  874.784   31.610  565.160   10.270  568.778   10.285 -3.617981 14.53403 
1 1 1   -1    4   33 o   96.709   6.8897   25.385   3.5827   24.153   5.2573   26.452   4.8956   94.507   10.295   98.911   9.1594 -4.404396 13.77944 
1 1 1   -1    4   34 o  816.422   10.011  1804.03   44.165  1809.11   62.659  1799.01   62.261  817.563   14.183  815.281   14.132 2.282043 20.02224 
1 1 1   -1    4   35 o  754.655   9.3350  1540.87   38.063  1526.55   53.341  1555.72   54.331  751.090   13.143  758.221   13.261 -7.130981 18.67003 
1 1 1   -1    4   36 o  209.447   5.0758  118.567   5.7442  116.757   8.0689  120.426   8.1793  207.827   7.1850  211.067   7.1714 -3.240189 10.15151 
1 1 1   -1    4   37 o  424.367   6.0193  486.450   13.795  471.765   19.111  502.423   19.932  417.689   8.4673  431.044   8.5575 -13.35468 12.03852 
1 1 1   -1    4   38 o   69.864   11.905   13.469   4.5354   18.859   6.7242   8.9704   6.1432   82.059   15.737   57.670   17.869 24.38903 23.81076 
1 1 1   -1    4   39 o  388.990   5.8530  409.022   12.298  414.206   17.682  404.165   17.116  391.373   8.3609  386.607   8.1930 4.766388 11.70599 
1 1 1   -1    4   40 f  837.936   10.340  1902.48   46.814  1915.06   66.688  1890.26   65.733  840.657   14.680  835.215   14.565 5.442017 20.67961 
1 1 1   -1    4   41 o  913.093   11.193  2260.82   55.226  2260.53   78.188  2261.11   78.015  913.031   15.848  913.155   15.811 -0.1242676 22.38574 
1 1 1   -1    4   42 o  964.505   14.435  2541.74   71.355  2562.52   88.153  2502.25  121.516  971.408   16.794  957.602   23.483 13.80664 28.87036 
1 1 1   -1    4   43 o  333.275   7.3564  304.023   12.211  292.117   21.840  309.437   14.727  328.338   12.310  338.211   8.0584 -9.872925 14.71272 
1 1 1   -1    4   44 o  595.556   16.236  964.640   52.251  964.640   52.251   0.0000   0.0000  595.556   16.236  ?   ?       ?      ? 
1 1 1   -1    4   45 o  336.043   5.7423  305.463   10.419  310.446   15.076  300.907   14.416  338.656   8.2385  333.430   8.0013 5.226074 11.48451 
1 1 1   -1    4   46 o  312.491   5.6041  264.055   9.4558  271.854   13.706  256.971   13.063  316.882   8.0041  308.099   7.8460 8.783417 11.20829 
1 1 1   -1    4   47 o  701.722   8.9029  1338.70   33.759  1333.85   47.673  1343.57   47.811  700.446   12.595  702.998   12.586 -2.552002 17.80581 
1 1 1   -1    4   48 o  127.378   9.2823   44.371   6.1278   43.491   10.175   44.872   7.6760  126.239   14.916  128.517   11.053 -2.278526 18.56470 
1 1 1   -1    4   49 f  429.900   7.5531  506.507   16.827  517.415   21.133  487.613   27.814  436.667   8.9563  423.134   12.165 13.53351 15.10615 
1 1 1   -1    4   50 o  204.556   6.7156  111.756   7.1837  106.362   8.9862  121.306   11.957  197.963   8.4005  211.149   10.480 -13.18555 13.43125 
1 1 1   -1    4   51 o  447.019   6.3739  542.694   15.391  550.294   22.123  535.567   21.425  450.027   9.0973  444.011   8.9299 6.016907 12.74773 
1 1 1   -1    4   52 o  246.566   5.4461  165.148   7.2485  163.464   10.465  166.701   10.049  245.326   7.8945  247.806   7.5045 -2.479507 10.89223 
1 1 1   -1    4   53 o  462.870   6.5446  583.627   16.369  578.139   23.159  589.104   23.139  460.676   9.3034  465.063   9.2074 -4.387390 13.08926 
1 1 1   -1    4   54 o  232.243   7.6969  147.581   9.6561  152.162   13.669  143.018   13.642  235.883   10.724  228.603   11.044 7.280655 15.39385 
1 1 1   -1    4   55 o   63.922   15.624   10.653   6.6926   7.1937   9.4209   14.178   9.5094   57.516   21.892   70.328   22.297 -12.81151 31.24811 
1 1 1   -1    4   56 o  176.935   7.6511   84.151   7.0535   79.407   8.7667   92.860   11.878  170.340   9.5242  183.529   11.977 -13.18826 15.30214 
1 1 1   -1    4   57 o  374.681   5.9869  383.330   12.115  372.873   16.796  394.669   17.490  369.387   8.4148  379.976   8.5184 -10.58960 11.97382 
1 1 1   -1    4   58 f   58.056   15.670   5.7356   7.0690   14.000   11.075   0.0537   9.1830   69.925   24.134   46.187   19.993 23.73803 31.33995 
1 1 1   -1    4   59 o  213.313   8.6229  126.152   9.8630  131.847   15.032  121.847   13.070  217.185   12.809  209.442   11.548 7.742981 17.24589 
1 1 1   -1    4   60 o   52.484   11.163   4.1733   4.9669 -11.7562   7.5023   16.604   6.6274   30.253   14.680   74.714   16.821 -44.46123 22.32542 
1 1 1   -1    4   61 o  133.689   7.7437   49.693   5.5554   50.439   8.3856   49.111   7.4164  134.357   11.550  133.021   10.318 1.336182 15.48742 
1 1 1   -1    4   62 o  230.730   5.8637  145.794   7.2798  155.821   10.922  137.779   9.7649  237.712   8.5031  223.748   8.0764 13.96436 11.72739 
1 1 1   -1    4   63 o  147.241   7.5598   61.104   5.9421   56.134   8.8833   65.129   7.9938  141.329   11.632  153.152   9.6592 -11.82339 15.11966 
1 1 1   -1    4   64 o   81.943   12.269   21.800   5.5530   9.8112   8.1620   32.132   7.5769   57.954   20.662  105.932   13.237 -47.97746 24.53811 
1 1 1   -1    4   65 o  255.985   6.0379  181.771   8.3412  169.595   11.665  194.512   11.932  247.057   8.7375  264.913   8.3356 -17.85645 12.07586 
1 1 1   -1    4   66 o  175.006   7.1444   86.609   6.7317   84.967   9.8872   88.028   9.1911  173.099   10.570  176.913   9.6144 -3.813919 14.28881 
1 1 1   -1    4   67 o  207.625   6.6595  120.820   7.4464  109.044   10.469  132.880   10.594  197.047   9.8320  218.204   8.9847 -21.15689 13.31896 
1 1 1   -1    4   68 o  114.957   10.398   40.380   6.3991   48.299   9.4718   33.731   8.6795  125.984   13.913  103.930   15.455 22.05490 20.79504 
1 1 1   -1    4   69 o   78.009   12.953   19.437   5.8054   30.939   8.7848   10.520   7.7353   99.590   16.324   56.428   20.115 43.16171 25.90519 
1 1 1   -1    4   70 o   74.628   13.540   19.353   5.9911   31.272   8.9851   9.8115   8.0391   95.943   17.992   53.313   20.240 42.63011 27.08046 
1 1 1   -1    5    1 o  910.727   11.002  2240.79   54.100  2297.97   78.455  2188.94   74.702  921.783   15.751  899.672   15.366 22.11188 22.00447 
1 1 1   -1    5    7 o  674.226   8.3307  1228.61   30.344  1244.37   43.465  1213.63   42.382  678.440   11.856  670.013   11.706 8.427063 16.66136 
1 1 1   -1    5    8 o  859.679   10.409  1998.38   48.353  2008.73   68.768  1988.26   68.000  861.878   14.766  857.479   14.676 4.399536 20.81832 
1 1 1   -1    5    9 o  678.182   8.3603  1243.29   30.637  1239.87   43.229  1246.73   43.427  677.247   11.813  679.118   11.834 -1.870605 16.72051 
1 1 1   -1    5   10 o  1330.55   15.847  4792.02  113.938  4785.47  160.911  4798.62  161.355  1329.64   22.396  1331.46   22.427 -1.822510 31.69414 
1 1 1   -1    5   11 o  559.760   7.0580  846.821   21.347  852.683   30.398  841.117   29.986  561.671   10.016  557.850   9.9474 3.820740 14.11604 
1 1 1   -1    5   12 o  1185.84   14.166  3805.62   90.773  3799.76  128.217  3811.52  128.527  1184.93   20.025  1186.76   20.042 -1.830688 28.33162 
1 1 1   -1    5   14 o  827.851   10.062  1853.41   45.009  1866.89   64.101  1840.30   63.211  830.817   14.278  824.885   14.181 5.932373 20.12400 
1 1 1   -1    5   15 o  322.708   4.6860  281.343   8.1697  285.680   11.705  277.223   11.408  325.132   6.6623  320.285   6.5916 4.847626 9.372062 
1 1 1   -1    5   16 o  601.044   7.5341  976.726   24.469  977.315   34.644  976.139   34.566  601.225   10.664  600.864   10.646 0.3610229 15.06815 
1 1 1   -1    5   17 f  971.218   11.714  2554.54   61.476  2546.61   86.679  2562.57   87.205  969.705   16.542  972.731   16.591 -3.026367 23.42825 
1 1 1   -1    5   18 o  499.236   6.4423  673.843   17.377  665.442   24.335  682.583   24.822  496.064   9.0784  502.409   9.1431 -6.345032 12.88467 
1 1 1   -1    5   19 o  254.852   4.2103  175.471   5.7966  170.131   8.1070  181.057   8.2914  250.887   5.9799  258.818   5.9285 -7.931183 8.420585 
1 1 1   -1    5   20 o  561.002   7.1179  850.613   21.565  831.300   29.882  871.604   31.153  554.368   9.9752  567.636   10.156 -13.26788 14.23578 
1 1 1   -1    5   21 o  352.163   5.0162  335.286   9.5453  335.253   13.560  335.319   13.439  352.145   7.1262  352.182   7.0617 -0.3665161E-01 10.03242 
1 1 1   -1    5   22 o  672.373   8.3556  1223.59   30.356  1231.00   43.246  1216.39   42.620  674.373   11.867  670.372   11.766 4.001770 16.71119 
1 1 1   -1    5   23 o  295.228   4.5865  235.577   7.3152  238.000   10.480  233.276   10.215  296.707   6.5367  293.750   6.4356 2.956451 9.173073 
1 1 1   -1    5   24 o  440.554   8.2131  525.304   19.549  532.207   27.950  518.694   27.353  443.383   11.666  437.725   11.564 5.657654 16.42615 
1 1 1   -1    5   25 o  509.032   9.2340  701.688   25.399  702.477   35.951  700.901   35.890  509.318   13.063  508.747   13.055 0.5711670 18.46807 
1 1 1   -1    5   26 o  356.247   6.2064  341.745   11.343  338.537   13.963  347.973   19.452  353.853   7.3025  358.641   10.037 -4.787384 12.41281 
1 1 1   -1    5   27 o  397.024   5.5176  425.866   11.830  435.030   17.086  417.428   16.396  401.120   7.8829  392.927   7.7223 8.193054 11.03515 
1 1 1   -1    5   28 o  603.089   10.894  983.419   35.451  1015.32   51.842  955.405   48.585  612.232   15.670  593.945   15.138 18.28668 21.78814 
1 1 1   -1    5   29 o   83.364   11.242   21.939   5.1688   3.9730   7.6725   36.869   6.9941   49.983   19.561  116.746   11.087 -66.76273 22.48454 
1 1 1   -1    5   30 o  359.547   7.6167  348.576   14.762  363.964   21.818  335.586   20.047  366.835   11.007  352.259   10.531 14.57550 15.23348 
1 1 1   -1    5   31 o  255.807   4.6367  176.761   6.4067  180.235   9.2200  173.517   8.9088  258.236   6.6074  253.379   6.5067 4.856598 9.273330 
1 1 1   -1    5   32 o  213.352   4.6580  123.205   5.3621  118.484   7.6963  127.658   7.4748  209.373   6.8025  217.332   6.3649 -7.959000 9.315927 
1 1 1   -1    5   33 o  768.440   9.4798  1597.48   39.356  1576.48   54.997  1619.52   56.344  763.273   13.334  773.608   13.478 -10.33484 18.95965 
1 1 1   -1    5   34 o  505.528   6.6937  690.463   18.275  674.880   25.339  707.356   26.383  499.592   9.3860  511.464   9.5459 -11.87256 13.38736 
1 1 1   -1    5   35 o  326.296   5.2344  287.795   9.2291  285.922   13.003  289.697   13.101  325.226   7.3989  327.366   7.4063 -2.139832 10.46886 
1 1 1   -1    5   36 o  451.974   6.2353  552.262   15.227  544.918   21.325  559.901   21.748  448.910   8.7913  455.038   8.8449 -6.127441 12.47069 
1 1 1   -1    5   37 o  417.488   5.9826  471.255   13.494  474.838   19.302  467.829   18.872  419.038   8.5242  415.939   8.3967 3.098969 11.96520 
1 1 1   -1    5   38 o  767.140   9.5304  1593.16   39.502  1575.66   55.320  1611.37   56.425  762.850   13.420  771.430   13.536 -8.580139 19.06090 
1 1 1   -1    5   39 o  595.784   7.7341  960.440   24.896  967.448   35.541  953.688   34.885  597.913   11.000  593.656   10.875 4.256348 15.46812 
1 1 1   -1    5   40 o  858.529   10.580  1997.19   49.074  2016.91   70.120  1978.26   68.706  862.668   15.042  854.391   14.882 8.277405 21.15947 
1 1 1   -1    5   41 o  864.732   13.131  2018.36   57.301  1995.02   69.376  2068.47  101.644  857.753   14.968  871.710   21.579 -13.95721 26.26153 
1 1 1   -1    5   42 o  643.786   8.2659  1121.96   28.741  1140.90   41.428  1104.39   39.907  649.004   11.813  638.567   11.565 10.43701 16.53184 
1 1 1   -1    5   43 o  409.716   13.072  455.180   28.941  455.180   28.941   0.0000   0.0000  409.716   13.072  ?   ?       ?      ? 
1 1 1   -1    5   44 o   45.939   13.192   1.9346   5.2426  -1.2847   7.7562   4.6427   7.1138   42.115   18.302   49.762   19.004 -7.647381 26.38414 
1 1 1   -1    5   45 o  721.118   9.0901  1411.55   35.419  1417.86   50.425  1405.41   49.761  722.693   12.912  719.544   12.798 3.149902 18.18014 
1 1 1   -1    5   46 o  284.222   5.5559  218.735   8.5288  218.269   12.246  219.174   11.885  283.918   7.9819  284.526   7.7304 -0.6076355 11.11170 
1 1 1   -1    5   47 o   90.088   10.771   22.557   5.1043   21.399   7.4492   23.583   7.0082   87.124   16.425   93.052   13.938 -5.928734 21.54176 
1 1 1   -1    5   48 o  214.905   6.7156  125.390   7.4303  125.068   12.579  125.563   9.2084  214.553   10.850  215.257   7.9166 -0.7042236 13.43121 
1 1 1   -1    5   49 o  389.110   7.1201  414.920   14.311  399.549   23.830  423.591   17.898  383.076   11.512  395.145   8.3822 -12.06891 14.24024 
1 1 1   -1    5   50 o  383.590   7.1606  401.052   14.194  403.253   17.689  397.072   23.786  385.442   8.4929  381.737   11.531 3.704681 14.32129 
1 1 1   -1    5   51 o  455.931   6.4931  565.046   15.996  568.273   22.802  561.920   22.444  457.198   9.2297  454.664   9.1353 2.533997 12.98624 
1 1 1   -1    5   52 o  212.406   5.7026  122.605   6.5384  122.486   9.4623  122.715   9.0451  212.278   8.2491  212.533   7.8759 -0.2546234 11.40514 
1 1 1   -1    5   53 o  350.917   6.9203  333.924   12.447  341.892   21.399  329.851   15.302  353.557   11.201  348.278   8.1307 5.278870 13.84069 
1 1 1   -1    5   54 o  405.292   8.4655  450.757   18.537  457.658   26.498  444.144   25.941  408.308   12.010  402.275   11.934 6.033356 16.93092 
1 1 1   -1    5   55 o  364.405   8.1138  365.107   15.976  368.243   22.535  361.937   22.653  366.024   11.393  362.788   11.555 3.236084 16.22765 
1 1 1   -1    5   56 o  122.549   8.0265   41.246   5.3093   43.599   7.7247   39.139   7.3094  125.853   11.359  119.245   11.344 6.607407 16.05306 
1 1 1   -1    5   57 o  300.818   5.6144  247.018   9.1193  233.919   12.764  260.676   13.033  292.622   8.0722  309.015   7.8054 -16.39316 11.22872 
1 1 1   -1    5   58 o   68.528   15.923   13.476   7.4242   4.4324   11.526   19.890   9.7061   56.238   23.264   80.818   21.747 -24.58028 31.84607 
1 1 1   -1    5   59 o  164.274   10.049   76.459   8.7801   74.009   13.525   78.243   11.543  161.324   15.515  167.224   12.774 -5.899933 20.09709 
1 1 1   -1    5   60 o  103.123   10.140   28.957   5.2363   44.963   8.3611   18.628   6.7166  126.837   12.199   79.409   16.201 47.42795 20.28073 
1 1 1   -1    5   61 o  205.611   6.1360  116.407   6.7854  117.293   10.111  115.682   9.1526  206.133   9.0772  205.088   8.2588 1.045517 12.27205 
1 1 1   -1    5   62 o  187.775   6.3307   97.205   6.3968  100.709   9.5562   94.360   8.6105  190.673   9.2749  184.876   8.6191 5.797684 12.66144 
1 1 1   -1    5   63 o  100.557   10.517   29.979   5.4290   25.906   8.2285   33.118   7.2247   92.846   17.028  108.269   12.349 -15.42305 21.03485 
1 1 1   -1    5   64 o  308.706   5.8912  263.062   9.8028  272.852   14.479  254.778   13.320  313.811   8.5386  303.601   8.1191 10.20996 11.78248 
1 1 1   -1    5   65 o  144.865   7.8771   58.765   6.1152   70.386   9.1941   49.545   8.1894  157.763   10.785  131.968   11.484 25.79477 15.75423 
1 1 1   -1    5   66 o  144.003   8.0176   59.333   6.2007   56.557   9.1408   61.699   8.4392  140.385   12.050  147.621   10.580 -7.236160 16.03511 
1 1 1   -1    5   67 o  169.016   7.5645   81.376   6.8473   76.807   10.194   85.132   9.2428  164.060   11.499  173.971   9.8319 -9.910873 15.12906 
1 1 1   -1    5   68 o   74.850   14.106   20.202   5.8804   17.104   8.7644   22.738   7.9303   67.929   21.392   81.770   18.393 -13.84106 28.21211 
1 1 1   -1    5   69 o  227.918   6.4344  147.659   7.9139  140.213   11.245  154.967   11.140  221.874   9.3791  233.962   8.8113 -12.08827 12.86883 
1 1 1   -1    6    1 o  947.558   11.429  2428.20   58.510  2458.77   83.763  2399.06   81.764  953.375   16.259  941.741   16.067 11.63385 22.85875 
1 1 1   -1    6    3 o  303.172   4.5246  248.200   7.4090  254.294   10.675  242.536   10.292  306.760   6.4398  299.585   6.3573 7.174652 9.049122 
1 1 1   -1    6    4 o  334.359   4.8156  301.604   8.6919  291.094   11.968  313.338   12.645  328.206   6.7479  340.513   6.8721 -12.30786 9.631247 
1 1 1   -1    6    5 f  1221.30   20.637  4036.77  136.195   0.0000   0.0000  4036.77  136.195  ?   ?   1221.30   20.637      ?      ? 
1 1 1   -1    6    6 o  760.688   9.3027  1564.23   38.235  1551.54   53.617  1577.37   54.539  757.551   13.098  763.826   13.214 -6.274780 18.60546 
1 1 1   -1    6    7 o  395.912   5.3647  423.475   11.475  428.976   16.433  418.240   16.029  398.420   7.6331  393.404   7.5402 5.016052 10.72932 
1 1 1   -1    6    8 o  969.613   11.678  2542.63   61.185  2535.07   86.278  2550.28   86.780  968.164   16.492  971.061   16.538 -2.896973 23.35555 
1 1 1   -1    6    9 o  430.152   8.1108  500.046   18.853   0.0000   0.0000  500.046   18.853  ?   ?   430.152   8.1108      ?      ? 
1 1 1   -1    6   10 o  276.155   4.3417  205.904   6.4755  211.363   9.3424  200.857   8.9837  279.674   6.1818  272.635   6.0980 7.039063 8.683328 
1 1 1   -1    6   11 o  1888.70   22.412  9678.06  228.672  9555.14  318.963  9808.05  328.009  1876.42   31.457  1900.97   31.932 -24.54370 44.82411 
1 1 1   -1    6   12 o  478.875   6.2288  619.822   16.118  619.159   22.802  620.483   22.787  478.618   8.8164  479.130   8.8012 -0.5118713 12.45756 
1 1 1   -1    6   13 o  435.415   5.7881  512.037   13.611  523.621   19.632  501.315   18.888  440.153   8.2543  430.678   8.1162 9.474457 11.57611 
1 1 1   -1    6   14 o  429.781   5.7453  499.054   13.340  491.124   18.619  507.417   19.121  426.275   8.0833  433.287   8.1668 -7.011780 11.49070 
1 1 1   -1    6   15 o  245.901   4.1671  163.238   5.5331  167.782   8.0119  159.094   7.6505  249.169   5.9505  242.633   5.8352 6.535767 8.334153 
1 1 1   -1    6   16 f  222.114   4.0359  133.292   4.8430  135.214   6.9373  131.465   6.7641  223.675   5.7397  220.553   5.6755 3.121704 8.071883 
1 1 1   -1    6   17 o  746.651   9.1664  1508.57   36.977  1491.09   51.713  1526.85   52.894  742.234   12.893  751.068   13.033 -8.833557 18.33283 
1 1 1   -1    6   18 o  597.286   7.5160  964.963   24.256  955.985   34.042  974.223   34.572  594.467   10.597  600.106   10.661 -5.639343 15.03208 
1 1 1   -1    6   19 o  576.921   7.3059  899.953   22.769  883.998   31.714  916.926   32.709  571.651   10.267  582.191   10.397 -10.54016 14.61188 
1 1 1   -1    6   20 o  489.048   6.3865  646.695   16.874  653.647   24.154  640.067   23.583  491.612   9.0922  486.485   8.9711 5.126892 12.77298 
1 1 1   -1    6   21 o  339.984   4.9739  312.219   9.1336  302.593   12.689  322.570   13.158  334.551   7.0188  345.417   7.0495 -10.86588 9.947831 
1 1 1   -1    6   22 o  269.655   5.3088  193.783   7.2817  204.932   12.820  188.473   8.8474  275.264   8.6188  264.046   6.2008 11.21896 10.61760 
1 1 1   -1    6   23 o  419.075   7.9195  471.664   17.838  510.586   26.981  441.441   23.775  434.292   11.497  403.857   10.895 30.43530 15.83894 
1 1 1   -1    6   24 o  296.041   6.3104  237.018   10.093  238.739   14.409  235.360   14.144  297.094   8.9751  294.988   8.8729 2.105927 12.62071 
1 1 1   -1    6   25 o  399.714   6.7151  428.957   13.687  422.591   16.718  441.892   23.833  395.328   7.8262  404.101   10.914 -8.773743 13.43020 
1 1 1   -1    6   26 o  719.865   8.9068  1402.78   34.647  1399.18   48.910  1406.41   49.086  718.939   12.590  720.791   12.602 -1.852600 17.81363 
1 1 1   -1    6   27 f  458.072   7.5913  568.174   17.675  569.254   21.611  565.991   30.720  458.826   8.7163  457.318   12.431 1.507904 15.18262 
1 1 1   -1    6   28 o  512.072   9.6044  709.743   26.573  712.838   37.919  706.757   37.249  513.163   13.675  510.982   13.490 2.180511 19.20886 
1 1 1   -1    6   29 o   74.353   11.934   14.501   4.9614   23.806   7.5979   7.5833   6.5508   93.771   14.995   54.935   18.570 38.83680 23.86821 
1 1 1   -1    6   30 o  652.322   10.132  1147.08   33.329  1164.19   59.091  1139.10   40.362  655.682   16.678  648.961   11.510 6.721130 20.26377 
1 1 1   -1    6   31 o  676.906   8.4683  1238.50   30.960  1212.86   42.978  1266.16   44.638  669.634   11.877  684.177   12.074 -14.54340 16.93670 
1 1 1   -1    6   32 o  981.146   11.879  2606.89   62.971  2626.59   89.821  2587.84   88.307  984.781   16.879  977.512   16.718 7.269165 23.75707 
1 1 1   -1    6   33 o  321.474   5.1002  278.782   8.8484  290.385   12.918  268.527   12.145  327.761   7.2939  315.187   7.1306 12.57404 10.20032 
1 1 1   -1    6   34 f  398.308   5.7263  428.896   12.325  426.991   17.428  430.802   17.432  397.422   8.1153  399.193   8.0812 -1.770874 11.45270 
1 1 1   -1    6   35 o  130.297   6.3881   45.916   4.4951   47.921   6.3780   43.936   6.3363  133.127   8.8660  127.468   9.1992 5.659035 12.77620 
1 1 1   -1    6   36 o  145.449   6.2857   57.010   4.8748   45.160   6.6602   70.682   7.1543  129.218   9.5384  161.681   8.1888 -32.46284 12.57131 
1 1 1   -1    6   37 o  261.086   5.3052  184.286   7.4845  182.848   10.532  185.754   10.639  260.057   7.4944  262.115   7.5111 -2.057892 10.61045 
1 1 1   -1    6   38 o  230.212   5.5912  143.282   6.9512  150.132   9.9029  136.628   9.7597  235.639   7.7772  224.786   8.0349 10.85329 11.18237 
1 1 1   -1    6   39 o  505.875   6.9185  691.815   18.904  674.083   26.280  710.830   27.215  499.165   9.7428  512.585   9.8253 -13.41931 13.83692 
1 1 1   -1    6   40 o  1490.53   22.009  6098.33  167.640  6126.95  206.362  6042.79  287.470  1499.01   25.476  1482.04   35.896 16.96960 44.01766 
1 1 1   -1    6   41 o  357.197   5.8372  344.974   11.263  333.565   15.750  356.917   16.114  351.152   8.3004  363.241   8.2095 -12.08899 11.67439 
1 1 1   -1    6   42 o  333.747   7.2446  303.650   12.079  295.946   21.567  307.171   14.581  330.515   12.075  336.979   8.0076 -6.464203 14.48919 
1 1 1   -1    6   43 o  319.088   5.7321  275.538   9.8742  275.252   14.275  275.801   13.673  318.918   8.2833  319.258   7.9257 -0.3398132 11.46428 
1 1 1   -1    6   44 o  434.207   6.3233  510.503   14.835  509.634   21.111  511.352   20.852  433.836   9.0050  434.579   8.8796 -0.7436523 12.64664 
1 1 1   -1    6   45 o  302.509   5.5881  246.936   9.1185  261.060   13.391  234.726   12.451  310.543   7.9803  294.475   7.8246 16.06793 11.17626 
1 1 1   -1    6   46 o  236.534   5.7117  151.376   7.2898  140.270   10.145  163.229   10.481  227.562   8.2506  245.506   7.9007 -17.94351 11.42338 
1 1 1   -1    6   47 o  232.221   5.6140  146.076   7.0411  146.866   10.134  145.338   9.7899  232.819   8.0554  231.623   7.8218 1.195618 11.22810 
1 1 1   -1    6   48 o  274.108   5.5281  203.539   8.1820  192.757   11.446  214.805   11.700  266.674   7.9433  281.541   7.6905 -14.86688 11.05621 
1 1 1   -1    6   49 o  395.180   7.1936  423.326   14.528  428.829   25.069  420.544   17.826  396.698   11.695  393.662   8.3800 3.036163 14.38722 
1 1 1   -1    6   50 o  378.780   5.9389  388.226   12.125  405.733   17.930  373.475   16.459  386.586   8.5833  370.975   8.2103 15.61047 11.87782 
1 1 1   -1    6   51 o  460.326   7.8738  586.417   18.965  614.907   24.335  542.342   30.267  475.387   9.4732  445.266   12.580 30.12109 15.74758 
1 1 1   -1    6   52 o  170.340   7.4500   74.224   6.5856   97.973   11.440   62.452   8.0541  189.327   11.182  151.354   9.8477 37.97301 14.90009 
1 1 1   -1    6   53 o  289.199   7.4718  227.861   11.658  240.766   17.086  216.622   15.946  296.810   10.653  281.587   10.480 15.22345 14.94367 
1 1 1   -1    6   54 o  331.152   7.7645  300.509   13.892  297.522   19.474  303.604   19.825  329.495   10.937  332.809   11.024 -3.313110 15.52891 
1 1 1   -1    6   55 f   78.498   12.114   18.026   4.9888   16.557   7.2895   19.321   6.8421   75.164   18.152   81.832   16.047 -6.667442 24.22799 
1 1 1   -1    6   56 o  173.720   6.3325   81.556   5.9088   94.015   8.9139   71.791   7.8919  185.429   8.8961  162.011   9.0146 23.41792 12.66509 
1 1 1   -1    6   57 o   98.860   10.731   29.124   5.2734   18.579   7.6096   38.867   7.3147   79.164   18.173  118.557   11.418 -39.39225 21.46214 
1 1 1   -1    6   58 o  148.937   10.712   62.505   8.5445   63.581   13.013   61.689   11.329  149.651   16.092  148.224   14.144 1.426498 21.42446 
1 1 1   -1    6   59 o  173.532   9.7919   85.149   9.0971   82.162   13.671   87.523   12.187  170.252   14.860  176.811   12.756 -6.558746 19.58378 
1 1 1   -1    6   60 o  265.074   5.7137  193.304   8.1595  185.332   11.851  200.490   11.251  259.674   8.4456  270.473   7.6980 -10.79913 11.42747 
1 1 1   -1    6   61 o  161.368   6.9259   72.300   5.9891   71.256   9.0289   73.121   8.0032  160.047   10.440  162.689   9.1037 -2.641495 13.85173 
1 1 1   -1    6   62 o  211.415   6.1728  122.284   7.0133  135.744   10.617  111.864   9.3416  221.558   8.8680  201.271   8.5892 20.28711 12.34567 
1 1 1   -1    6   63 o  159.134   7.2227   70.566   6.1841   71.506   9.2039   69.792   8.3497  159.879   10.653  158.389   9.7557 1.490601 14.44542 
1 1 1   -1    6   64 o   53.037   14.161   7.4226   5.5277   7.1064   8.3404   7.6703   7.3818   53.097   20.501   52.977   19.542 0.1198921 28.32288 
1 1 1   -1    6   65 o  121.923   9.3000   43.370   6.0765   41.548   9.0564   44.862   8.1949  118.952   14.089  124.894   12.143 -5.941826 18.59995 
1 1 1   -1    6   66 o   84.999   13.193   23.220   5.8835   20.399   8.7388   25.560   7.9572   78.922   20.357   91.076   16.787 -12.15454 26.38606 
1 1 1   -1    6   67 o  237.136   6.3458  157.976   8.1076  154.471   11.844  161.066   11.122  234.278   9.3557  239.995   8.5761 -5.716370 12.69168 
1 1 1   -1    6   68 o   85.520   12.788   25.407   5.8686   15.890   8.7275   33.261   7.9288   66.302   21.397  104.739   14.009 -38.43627 25.57546 
1 1 1   -1    6   69 o   66.329   14.636   15.999   5.7829   16.622   8.8047   15.527   7.6689   66.785   21.485   65.872   19.881 0.9133377 29.27218 
1 1 1   -1    7    3 o  1428.04   16.996  5521.15  131.147  5553.23  186.626  5489.85  184.334  1432.13   24.116  1423.95   23.956 8.174805 33.99238 
1 1 1   -1    7    6 o  1362.43   23.006  5025.28  169.373  5025.28  169.373   0.0000   0.0000  1362.43   23.006  ?   ?       ?      ? 
1 1 1   -1    7    8 o  728.760   8.9705  1435.81   35.324  1443.75   50.236  1428.04   49.681  730.752   12.722  726.768   12.650 3.984558 17.94109 
1 1 1   -1    7    9 o  318.909   6.7394  274.841   11.614  274.841   11.614   0.0000   0.0000  318.909   6.7394  ?   ?       ?      ? 
1 1 1   -1    7   10 o  424.214   5.7090  486.199   13.083  493.541   18.764  479.253   18.252  427.328   8.1262  421.099   8.0210 6.229004 11.41800 
1 1 1   -1    7   11 o  893.115   10.820  2157.71   52.219  2154.80   73.757  2160.64   73.941  892.511   15.293  893.719   15.311 -1.207520 21.64040 
1 1 1   -1    7   12 o  1265.23   15.129  4335.51  103.432  4327.48  146.057  4343.59  146.495  1264.05   21.383  1266.40   21.407 -2.346680 30.25740 
1 1 1   -1    7   13 o  189.876   4.0756   97.324   4.1787  100.132   6.0494   94.762   5.7791  192.493   5.8158  187.260   5.7112 5.232681 8.151130 
1 1 1   -1    7   14 o  691.418   8.5598  1293.12   31.981  1291.54   45.207  1294.70   45.249  690.996   12.107  691.840   12.104 -0.8442993 17.11955 
1 1 1   -1    7   15 o  498.831   6.4824  672.791   17.472  678.373   24.901  667.379   24.522  500.867   9.2005  496.794   9.1345 4.072266 12.96489 
1 1 1   -1    7   16 o  341.145   4.9614  314.451   9.1425  319.937   13.150  309.318   12.720  344.022   7.0737  338.268   6.9587 5.754669 9.922754 
1 1 1   -1    7   17 o  782.354   9.5850  1656.80   40.515  1674.33   57.937  1640.03   56.677  786.394   13.634  778.315   13.476 8.078979 19.17006 
1 1 1   -1    7   18 o  631.750   7.9168  1079.53   27.018  1094.49   38.782  1065.43   37.661  635.993   11.285  627.506   11.107 8.486938 15.83357 
1 1 1   -1    7   19 o  343.712   5.0037  319.275   9.2902  323.437   13.344  315.360   12.942  345.883   7.1397  341.540   7.0122 4.342255 10.00734 
1 1 1   -1    7   20 o  523.808   8.3246  723.674   21.610  790.090   40.218  696.715   25.624  540.098   13.780  507.518   9.3433 32.57965 16.64924 
1 1 1   -1    7   21 o  472.749   8.7153  603.983   22.231  625.225   32.526  585.360   30.455  480.518   12.526  464.979   12.121 15.53879 17.43056 
1 1 1   -1    7   22 o  287.483   6.2690  221.109   9.6828  200.203   12.889  248.198   14.671  272.057   8.7672  302.910   8.9631 -30.85266 12.53795 
1 1 1   -1    7   23 o  473.474   7.5828  610.034   18.565  618.577   23.199  594.820   30.958  478.221   8.9776  468.727   12.223 9.493744 15.16551 
1 1 1   -1    7   24 o  441.497   5.9734  527.070   14.249  531.108   20.332  523.172   19.976  443.157   8.4904  439.837   8.4048 3.319214 11.94684 
1 1 1   -1    7   25 o   69.911   7.4118   13.241   2.7833   13.050   4.1539   13.398   3.7495   69.445   11.069   70.376   9.8596 -0.9307404 14.82368 
1 1 1   -1    7   26 o  633.049   9.8364  1084.76   31.632  1084.24   38.630  1085.81   55.105  633.045   11.293  633.053   16.109 -0.8483887E-02 19.67278 
1 1 1   -1    7   27 o  765.616   13.459  1589.42   55.678  1575.22   78.151  1604.05   79.344  762.154   18.976  769.079   19.092 -6.925232 26.91836 
1 1 1   -1    7   28 o  927.730   16.055  2336.56   80.484  2322.07  113.256  2351.35  114.397  924.832   22.663  930.628   22.748 -5.795471 32.11043 
1 1 1   -1    7   29 o  1544.22   22.584  6536.95  179.296  6367.12  302.453  6628.97  222.633  1526.59   36.665  1561.85   26.379 -35.25317 45.16812 
1 1 1   -1    7   30 f  130.350   5.5666   45.958   3.9185   44.705   5.5871   47.170   5.4971  128.600   8.0400  132.100   7.7010 -3.499634 11.13311 
1 1 1   -1    7   31 o  186.376   4.8755   93.920   4.9050   93.150   7.0849   94.628   6.7975  185.641   7.0627  187.111   6.7230 -1.470673 9.750922 
1 1 1   -1    7   32 o  1036.90   12.537  2912.89   70.245  2905.70   99.188  2920.14   99.495  1035.62   17.724  1038.19   17.735 -2.568115 25.07364 
1 1 1   -1    7   33 o  722.909   9.0028  1413.91   35.166  1421.23   50.081  1406.78   49.390  724.752   12.788  721.066   12.676 3.685913 18.00560 
1 1 1   -1    7   34 o  366.565   5.5635  363.128   11.018  355.756   15.412  370.834   15.757  362.761   7.8626  370.368   7.8734 -7.607574 11.12700 
1 1 1   -1    7   35 o  172.949   5.6265   80.896   5.2531   76.401   7.3983   85.467   7.4601  168.098   8.1448  177.799   7.7648 -9.700348 11.25297 
1 1 1   -1    7   36 o  567.350   7.4229  870.811   22.756  874.379   32.368  867.324   31.998  568.496   10.537  566.204   10.458 2.292480 14.84581 
1 1 1   -1    7   37 o  508.959   6.8882  699.836   18.930  679.575   26.167  722.084   27.420  501.244   9.6607  516.673   9.8213 -15.42966 13.77636 
1 1 1   -1    7   38 o  502.011   6.8414  681.654   18.556  687.430   26.501  676.097   25.991  504.093   9.7289  499.928   9.6211 4.165405 13.68273 
1 1 1   -1    7   39 o  863.903   13.198  1990.92   56.668  1938.68   67.509  2115.54  104.266  845.816   14.771  881.991   21.877 -36.17426 26.39660 
1 1 1   -1    7   40 o  596.643   9.6036  960.515   28.997  952.878   35.223  976.576   51.079  593.286   10.987  600.000   15.755 -6.713074 19.20723 
1 1 1   -1    7   41 o  174.076   8.5054   80.100   7.3022   86.937   13.686   77.379   8.6337  179.056   14.145  169.096   9.4488 9.960236 17.01080 
1 1 1   -1    7   42 o  351.199   5.8598  333.591   11.117  322.069   15.566  345.586   15.882  345.009   8.3497  357.391   8.2240 -12.38196 11.71969 
1 1 1   -1    7   43 o  382.438   5.9527  395.431   12.294  382.523   17.023  409.502   17.774  375.926   8.3802  388.951   8.4565 -13.02475 11.90549 
1 1 1   -1    7   44 o  108.008   9.5103   31.736   5.5400   30.467   7.9789   32.918   7.6981  105.898   13.943  110.118   12.937 -4.219604 19.02067 
1 1 1   -1    7   45 o  424.946   6.2554  489.204   14.361  487.446   20.486  490.902   20.139  424.184   8.9373  425.708   8.7547 -1.524139 12.51076 
1 1 1   -1    7   46 o  489.859   6.7676  650.674   17.912  655.930   25.576  645.615   25.093  491.790   9.6243  487.928   9.5171 3.861786 13.53526 
1 1 1   -1    7   47 o  174.826   6.2664   82.846   5.9141   83.654   8.5731   82.112   8.1691  175.626   9.0335  174.025   8.6871 1.601334 12.53277 
1 1 1   -1    7   48 o  443.345   6.3912  533.403   15.310  524.006   21.492  543.083   21.814  439.379   9.0523  447.312   9.0247 -7.932892 12.78241 
1 1 1   -1    7   49 o  228.734   5.6725  141.975   7.0050  141.084   10.104  142.799   9.7202  228.022   8.2003  229.445   7.8398 -1.423706 11.34495 
1 1 1   -1    7   50 o  207.056   6.7730  117.341   7.2801  113.784   12.010  119.407   9.1536  204.367   10.875  209.745   8.0763 -5.377731 13.54608 
1 1 1   -1    7   51 o   76.909   14.550   17.292   6.3717   11.421   9.2899   22.507   8.7558   65.480   22.114   88.338   18.913 -22.85863 29.09907 
1 1 1   -1    7   52 o  445.711   8.9504  544.978   21.556  539.414   30.305  550.676   30.667  443.414   12.648  448.008   12.668 -4.594055 17.90074 
1 1 1   -1    7   53 o  221.696   7.5455  134.213   9.0281  138.198   13.165  130.676   12.404  224.755   10.840  218.637   10.499 6.118561 15.09103 
1 1 1   -1    7   54 o   83.752   11.214   19.844   4.9201   26.504   7.2461   14.146   6.7019   97.862   13.703   69.642   17.755 28.21982 22.42768 
1 1 1   -1    7   55 o  100.352   12.643   27.828   6.8560   0.0000   0.0000   27.828   6.8560  ?   ?   100.352   12.643      ?      ? 
1 1 1   -1    7   56 o   95.363   9.8483   25.273   5.0414   25.941   7.6174   24.753   6.7249   96.330   14.634   94.397   13.184 1.933182 19.69666 
1 1 1   -1    7   57 o  199.453   7.4101  105.138   7.6102   95.707   9.2678  124.662   13.335  186.753   9.1838  212.153   11.632 -25.40004 14.82015 
1 1 1   -1    7   58 o  132.011   12.236   52.268   8.1277   39.144   12.119   62.995   10.957  114.179   20.391  149.844   13.532 -35.66479 24.47276 
1 1 1   -1    7   59 o   56.384   15.705   6.5135   7.2004   2.2748   10.861   9.8378   9.6180   51.910   22.093   60.857   22.328 -8.946655 31.41081 
1 1 1   -1    7   60 o   74.620   12.949   16.760   5.1672   18.740   7.7306   15.162   6.9470   78.525   18.519   70.714   18.103 7.810898 25.89774 
1 1 1   -1    7   61 o  182.987   6.4909   92.767   6.3917   90.899   9.4200   94.362   8.7011  181.064   9.6280  184.911   8.7081 -3.847183 12.98188 
1 1 1   -1    7   62 o  119.650   8.8772   40.600   5.7047   39.354   8.4602   41.640   7.7253  117.629   13.310  121.670   11.750 -4.041466 17.75441 
1 1 1   -1    7   63 o  121.230   8.8441   41.869   5.7344   41.232   8.7021   42.358   7.6238  119.953   13.425  122.507   11.517 -2.554512 17.68818 
1 1 1   -1    7   64 o   35.746   11.678  -4.6283   5.3523  -8.3042   8.1853  -1.8826   7.0743   34.153   16.242   37.339   16.783 -3.185490 23.35593 
1 1 1   -1    7   65 o   62.920   14.476   12.644   5.7211   16.357   8.4376   9.4844   7.7835   70.004   20.792   55.836   20.147 14.16774 28.95157 
1 1 1   -1    7   66 o  138.166   8.9559   53.895   6.4385   76.520   9.7940   36.675   8.5442  164.272   11.033  112.059   14.110 52.21233 17.91182 
1 1 1   -1    7   67 o   55.017   14.403   9.3540   5.7079   13.385   8.7396   6.3558   7.5376   61.626   21.430   48.407   19.249 13.21931 28.80517 
1 1 1   -1    7   68 o  122.295   9.2862   44.122   6.0737   46.567   9.3634   42.345   7.9805  124.522   13.915  120.068   12.300 4.453773 18.57240 
1 1 1   -1    7   69 o  105.296   10.725   34.178   6.0202   42.750   9.3282   28.059   7.8812  116.710   14.791   93.881   15.535 22.82880 21.45060 
1 1 1   -1    8    3 o  1143.15   13.718  3536.15   84.739  3546.91  120.312  3525.56  119.372  1144.87   19.448  1141.43   19.354 3.441650 27.43678 
1 1 1   -1    8    4 o  1220.74   14.608  4033.67   96.363  4041.17  136.549  4026.22  136.009  1221.87   20.681  1219.61   20.638 2.258057 29.21689 
1 1 1   -1    8    5 o  401.165   5.5609  434.887   12.054  430.454   16.932  439.443   17.164  399.093   7.8515  403.238   7.8770 -4.144745 11.12177 
1 1 1   -1    8    7 o  653.500   8.1540  1154.41   28.790  1165.73   41.131  1143.54   40.312  656.638   11.592  650.363   11.471 6.274475 16.30808 
1 1 1   -1    8    8 o  293.851   4.6332  233.328   7.3566  230.527   10.346  236.191   10.462  292.068   6.5556  295.634   6.5491 -3.566040 9.266390 
1 1 1   -1    8   10 o  244.728   6.0837  161.850   8.0452   0.0000   0.0000  161.850   8.0452  ?   ?   244.728   6.0837      ?      ? 
1 1 1   -1    8   11 o  394.418   5.4673  420.451   11.652  422.014   16.568  418.922   16.390  395.142   7.7594  393.693   7.7044 1.449158 10.93460 
1 1 1   -1    8   12 o  708.229   12.396  1356.85   47.442   0.0000   0.0000  1356.85   47.442  ?   ?   708.229   12.396      ?      ? 
1 1 1   -1    8   13 o  904.796   10.986  2216.22   53.695  2184.25   74.844  2250.12   77.078  898.091   15.422  911.500   15.649 -13.40839 21.97137 
1 1 1   -1    8   14 o  710.682   8.7959  1366.62   33.774  1379.65   48.268  1354.13   47.274  713.992   12.511  707.372   12.368 6.620789 17.59188 
1 1 1   -1    8   15 o  896.317   10.892  2176.10   52.749  2160.97   74.101  2191.65   75.105  893.166   15.353  899.469   15.452 -6.302979 21.78303 
1 1 1   -1    8   16 o  415.271   5.6839  466.276   12.754  466.383   18.112  466.170   17.964  415.317   8.0702  415.224   8.0061 0.9268188E-01 11.36780 
1 1 1   -1    8   18 o  323.296   6.8555  282.564   11.977   0.0000   0.0000  282.564   11.977  ?   ?   323.296   6.8555      ?      ? 
1 1 1   -1    8   19 o  547.204   9.8663  810.948   29.170  800.225   40.880  822.072   41.636  543.522   13.919  550.885   13.987 -7.362488 19.73254 
1 1 1   -1    8   20 o  347.300   7.0275  326.363   13.186  325.676   18.810  327.027   18.490  346.935   10.033  347.664   9.8423 -0.7284851 14.05498 
1 1 1   -1    8   21 o  477.968   8.8314  618.502   22.807  608.784   31.946  628.604   32.570  474.142   12.469  481.795   12.510 -7.652679 17.66274 
1 1 1   -1    8   22 o  133.533   4.7780   48.120   3.4443   50.241   5.0064   46.214   4.7460  136.322   6.7963  130.745   6.7176 5.576721 9.555961 
1 1 1   -1    8   23 o  369.656   5.3368  369.467   10.659  369.639   15.171  369.299   14.980  369.740   7.5933  369.573   7.5011 0.1669617 10.67356 
1 1 1   -1    8   24 o  352.746   5.2048  336.407   9.9200  336.617   14.124  336.202   13.936  352.853   7.4076  352.638   7.3134 0.2144775 10.40953 
1 1 1   -1    8   25 o  694.843   10.683  1306.99   37.696  1305.66   46.014  1309.69   65.731  694.601   12.259  695.086   17.500 -0.4854736 21.36695 
1 1 1   -1    8   26 o  863.256   15.020  2022.00   70.044  1993.24   97.656  2052.48  100.521  856.965   21.089  869.548   21.393 -12.58276 30.03987 
1 1 1   -1    8   27 o  1047.36   18.006  2981.74  101.898  3000.00  145.102  2963.96  143.128  1050.49   25.562  1044.22   25.366 6.279419 36.01144 
1 1 1   -1    8   28 o  353.234   6.6923  336.767   11.810  338.964   21.263  335.788   14.202  354.015   11.115  352.453   7.4569 1.561920 13.38465 
1 1 1   -1    8   29 o  308.986   5.0573  257.907   8.4358  261.218   12.235  254.907   11.647  310.873   7.2832  307.099   7.0185 3.773926 10.11456 
1 1 1   -1    8   30 o  657.426   8.2833  1168.68   29.420  1150.53   41.092  1187.76   42.141  652.196   11.660  662.656   11.769 -10.45972 16.56666 
1 1 1   -1    8   31 o  1131.72   13.635  3469.68   83.348  3407.81  115.786  3536.21  120.076  1121.29   19.110  1142.15   19.456 -20.86121 27.27075 
1 1 1   -1    8   32 o  243.786   4.9591  160.753   6.5280  156.830   9.3379  164.502   9.1295  240.872   7.1742  246.699   6.8484 -5.826218 9.918184 
1 1 1   -1    8   33 o  407.987   5.8942  449.841   12.992  441.285   18.149  458.834   18.606  404.010   8.3132  411.964   8.3581 -7.953644 11.78847 
1 1 1   -1    8   34 o  525.685   6.9789  746.466   19.809  724.859   27.359  770.274   28.719  517.704   9.7797  533.665   9.9588 -15.96155 13.95779 
1 1 1   -1    8   35 o  280.226   5.3096  212.159   8.0364  207.481   11.163  217.192   11.579  277.023   7.4572  283.429   7.5603 -6.406219 10.61916 
1 1 1   -1    8   36 o  793.649   9.8547  1702.99   42.212  1652.58   57.994  1759.78   61.559  781.206   13.738  806.093   14.132 -24.88715 19.70947 
1 1 1   -1    8   37 o  619.683   8.0161  1039.16   26.841  1032.04   37.743  1046.44   38.179  617.539   11.311  621.828   11.362 -4.288940 16.03226 
1 1 1   -1    8   38 o  370.991   7.4265  370.332   13.766  366.973   16.532  377.928   24.860  368.368   8.3055  373.614   12.314 -5.245636 14.85296 
1 1 1   -1    8   39 o  640.084   10.208  1098.04   32.746  1078.00   39.341  1143.24   59.086  631.035   11.537  649.132   16.845 -18.09662 20.41701 
1 1 1   -1    8   40 o  925.343   13.968  2340.84   66.107  2295.04  112.929  2364.71   81.537  917.356   22.781  933.331   16.167 -15.97528 27.93501 
1 1 1   -1    8   41 o  216.470   7.9419  127.816   8.3147  124.865   15.699  128.967   9.8026  214.603   13.537  218.336   8.3086 -3.733383 15.88374 
1 1 1   -1    8   42 o  179.644   6.4509   87.417   6.2587   84.568   8.8847   90.224   8.8180  176.729   9.3035  182.559   8.9387 -5.830109 12.90180 
1 1 1   -1    8   43 o  467.173   6.5929  591.059   16.643  586.744   23.475  595.420   23.600  465.458   9.3333  468.889   9.3144 -3.430603 13.18587 
1 1 1   -1    8   44 o  164.652   7.0039   73.407   6.2247   74.737   9.0501   72.212   8.5751  166.058   10.086  163.246   9.7210 2.811920 14.00780 
1 1 1   -1    8   45 o  560.024   7.4602  850.142   22.564  827.185   31.284  875.031   32.575  552.166   10.485  567.882   10.615 -15.71521 14.92044 
1 1 1   -1    8   46 o  174.304   6.4196   82.335   6.0446   84.339   8.6830   80.450   8.4197  176.359   9.1114  172.249   9.0459 4.109787 12.83922 
1 1 1   -1    8   47 o  448.073   6.4223  544.698   15.549  536.682   21.912  552.830   22.068  444.745   9.1175  451.401   9.0472 -6.656158 12.84451 
1 1 1   -1    8   48 o  224.817   5.7792  136.750   7.0081  143.292   10.295  131.101   9.5667  229.800   8.2910  219.833   8.0534 9.966309 11.55842 
1 1 1   -1    8   49 o  340.803   5.7173  315.125   10.524  315.947   15.126  314.353   14.652  341.212   8.2035  340.393   7.9656 0.8189697 11.43453 
1 1 1   -1    8   50 o  168.818   7.6525   77.216   6.7272   79.527   11.185   75.907   8.4207  170.587   12.133  167.048   9.3287 3.539658 15.30501 
1 1 1   -1    8   51 o   84.135   14.724   20.628   6.6350   20.732   9.8918   20.543   8.9459   84.222   21.624   84.048   19.989 0.1745377 29.44767 
1 1 1   -1    8   52 o  214.516   7.7283  126.059   8.9406  118.491   12.751  133.378   12.539  208.073   11.341  220.960   10.502 -12.88618 15.45658 
1 1 1   -1    8   53 o  329.424   6.8241  298.563   11.701  304.822   14.783  288.063   19.148  334.582   8.1766  324.267   10.928 10.31512 13.64811 
1 1 1   -1    8   54 o  304.176   5.6116  252.153   9.2221  250.541   13.136  253.720   12.950  303.190   8.0179  305.161   7.8534 -1.971130 11.22330 
1 1 1   -1    8   55 o  190.649   6.0691   99.548   6.2227   96.208   9.1677  102.402   8.4737  187.560   9.0454  193.737   8.0941 -6.176529 12.13817 
1 1 1   -1    8   56 o  141.112   7.2115   54.474   5.4733   62.428   8.0502   47.636   7.4638  150.714   9.8847  131.510   10.503 19.20435 14.42294 
1 1 1   -1    8   57 o  202.296   7.7406  113.698   8.0272  115.032   9.9378  111.194   13.616  204.757   8.9818  199.835   12.609 4.921600 15.48120 
1 1 1   -1    8   58 o  233.106   8.7026  151.483   10.909  154.144   16.301  149.324   14.681  234.612   12.858  231.600   11.731 3.012238 17.40522 
1 1 1   -1    8   59 o   64.759   16.566   11.498   7.7974   4.9234   12.172   16.074   10.155   57.155   23.797   72.364   23.052 -15.20854 33.13148 
1 1 1   -1    8   60 o  229.093   5.8994  143.686   7.2721  152.215   10.903  136.851   9.7604  235.064   8.5835  223.122   8.0954 11.94205 11.79876 
1 1 1   -1    8   61 o  109.892   9.3314   34.242   5.5131   34.975   8.2521   33.651   7.4091  110.702   13.795  109.081   12.570 1.621262 18.66289 
1 1 1   -1    8   62 o  174.863   6.8609   84.497   6.4533   89.690   9.6964   80.368   8.6464  179.511   9.9961  170.215   9.4005 9.295837 13.72189 
1 1 1   -1    8   63 o   68.672   13.600   14.266   5.4929   21.414   8.2250   8.5121   7.3797   82.693   18.829   54.651   19.629 28.04216 27.19990 
1 1 1   -1    8   64 o   35.626   11.646  -4.5375   5.3397  -7.5898   7.8260  -1.8790   7.3038   33.553   15.935   37.699   16.989 -4.145493 23.29274 
1 1 1   -1    8   65 o   77.048   13.483   19.617   5.7965   12.853   8.4411   25.654   7.9739   62.989   21.081   91.107   16.816 -28.11800 26.96664 
1 1 1   -1    8   66 o   40.478   12.716  -1.8178   5.8230  -7.5057   8.5106   3.1887   7.9845   35.305   16.724   45.651   19.160 -10.34576 25.43215 
1 1 1   -1    8   67 o   92.113   12.196   27.326   5.8770   36.203   8.8691   20.377   7.8471  107.566   15.259   76.661   19.031 30.90539 24.39299 
1 1 1   -1    8   68 o   65.499   14.649   15.225   5.7922   14.775   8.8937   15.555   7.6330   64.107   21.638   66.892   19.753 -2.784271 29.29811 
1 1 1   -1    9    2 o  786.688   13.704  1673.71   58.254  1673.71   58.254   0.0000   0.0000  786.688   13.704  ?   ?       ?      ? 
1 1 1   -1    9    4 o  619.527   11.077  1037.66   37.084   0.0000   0.0000  1037.66   37.084  ?   ?   619.527   11.077      ?      ? 
1 1 1   -1    9    5 o  517.834   6.7532  724.845   18.897  725.185   26.734  724.505   26.714  517.956   9.5518  517.713   9.5490 0.2430420 13.50632 
1 1 1   -1    9    6 o  656.431   8.2231  1165.06   29.168  1165.30   41.299  1164.83   41.202  656.496   11.642  656.366   11.617 0.1299438 16.44618 
1 1 1   -1    9    8 o  1000.27   12.103  2708.27   65.418  2706.45   92.563  2710.08   92.468  999.930   17.131  1000.60   17.102 -0.6734009 24.20621 
1 1 1   -1    9   13 o  132.541   4.9607   46.985   3.5291   55.347   5.2800   40.233   4.7445  143.088   6.8288  121.994   7.1972 21.09456 9.921314 
1 1 1   -1    9   14 o  1055.98   12.745  3024.02   72.725  3025.86  102.950  3022.19  102.748  1056.30   18.037  1055.66   18.012 0.6348877 25.49021 
1 1 1   -1    9   15 f  478.836   6.3675  620.082   16.475  620.727   23.412  619.450   23.188  479.081   9.0436  478.592   8.9662 0.4888916 12.73494 
1 1 1   -1    9   16 o  741.881   11.322  1465.90   41.802  1558.11   76.750  1427.02   49.843  757.741   18.744  726.021   12.705 31.72040 22.64425 
1 1 1   -1    9   17 o  374.060   7.4853  378.470   15.123  382.432   21.770  374.775   21.024  375.944   10.716  372.175   10.454 3.769440 14.97064 
1 1 1   -1    9   18 o  560.662   10.118  851.314   30.645  835.135   42.717  868.468   43.987  555.185   14.239  566.140   14.379 -10.95563 20.23588 
1 1 1   -1    9   19 o  445.053   8.4230  533.331   20.170  567.117   30.257  506.306   27.060  457.644   12.235  432.462   11.580 25.18192 16.84606 
1 1 1   -1    9   20 o  644.257   8.1043  1123.46   28.213  1116.24   39.700  1130.84   40.101  642.166   11.441  646.349   11.482 -4.182556 16.20860 
1 1 1   -1    9   21 o  303.517   4.8434  248.366   7.9290  260.060   11.654  238.288   10.819  310.147   6.9538  296.887   6.7438 13.26031 9.686833 
1 1 1   -1    9   22 o  414.757   5.7838  464.629   12.951  477.665   18.803  452.863   17.864  420.281   8.2795  409.233   8.0783 11.04773 11.56759 
1 1 1   -1    9   23 o  262.446   6.7521  186.197   9.5756  186.197   9.5756   0.0000   0.0000  262.446   6.7521  ?   ?       ?      ? 
1 1 1   -1    9   24 o  319.595   7.4013  276.029   12.775  284.685   18.427  268.018   17.727  324.413   10.512  314.777   10.422 9.636322 14.80261 
1 1 1   -1    9   25 o  294.245   7.2943  233.742   11.587  245.045   16.831  223.559   15.975  300.994   10.348  287.497   10.283 13.49689 14.58854 
1 1 1   -1    9   26 o  320.854   7.5607  278.262   13.104  285.811   18.829  271.171   18.249  325.070   10.719  316.637   10.666 8.433014 15.12149 
1 1 1   -1    9   27 o  431.749   7.4930  494.262   15.989  528.378   29.763  480.424   18.956  441.939   12.463  421.558   8.3215 20.38028 14.98601 
1 1 1   -1    9   28 f  302.850   5.0313  247.889   8.2298  248.384   11.828  247.424   11.458  303.141   7.2206  302.559   7.0085 0.5824890 10.06258 
1 1 1   -1    9   29 o  324.617   5.1915  284.847   9.1059  281.225   12.880  288.467   12.876  322.553   7.3896  326.681   7.2938 -4.128326 10.38301 
1 1 1   -1    9   30 o  173.356   5.1913   81.591   4.8403   76.239   7.0405   86.388   6.6654  167.937   7.7584  178.775   6.8997 -10.83813 10.38258 
1 1 1   -1    9   31 o  328.528   5.2958  291.755   9.3980  291.740   13.476  291.770   13.113  328.517   7.5911  328.539   7.3864 -0.2142334E-01 10.59169 
1 1 1   -1    9   32 o  1062.08   12.848  3055.94   73.714  3095.34  105.762  3018.72  102.796  1068.71   18.314  1055.45   18.024 13.25989 25.69551 
1 1 1   -1    9   33 o  436.636   6.1727  515.448   14.563  509.345   20.462  521.712   20.731  434.018   8.7248  439.254   8.7342 -5.236877 12.34533 
1 1 1   -1    9   34 o  283.000   5.3114  216.460   8.1210  211.117   11.374  222.016   11.599  279.439   7.5324  286.562   7.4905 -7.123871 10.62288 
1 1 1   -1    9   35 o  593.085   7.7322  951.707   24.780  946.251   34.951  957.222   35.139  591.375   10.937  594.794   10.933 -3.418579 15.46436 
1 1 1   -1    9   36 o  637.673   8.2051  1100.07   28.267  1081.36   39.482  1119.75   40.489  632.117   11.559  643.229   11.649 -11.11249 16.41026 
1 1 1   -1    9   37 o  1290.22   15.549  4526.27  108.381  4469.23  151.367  4586.28  155.255  1281.93   21.851  1298.50   22.127 -16.57227 31.09774 
1 1 1   -1    9   38 o  515.010   8.8101  715.471   22.836  710.758   27.610  725.676   40.628  512.539   9.9689  517.481   14.529 -4.942017 17.62027 
1 1 1   -1    9   39 o  449.284   8.1492  553.453   18.626  526.126   31.919  567.563   22.936  440.584   13.407  457.983   9.2677 -17.39899 16.29836 
1 1 1   -1    9   40 o  486.204   8.4487  652.373   21.070  600.676   35.182  681.287   26.311  470.687   13.832  501.721   9.7048 -31.03403 16.89733 
1 1 1   -1    9   41 o  265.616   5.7766  189.344   8.2493  165.620   11.153  218.001   12.258  247.388   8.3430  283.844   7.9918 -36.45650 11.55311 
1 1 1   -1    9   42 o  218.731   5.9240  129.533   6.9977  123.978   9.8674  135.153   9.9253  214.005   8.5328  223.457   8.2198 -9.452576 11.84795 
1 1 1   -1    9   43 o  341.505   5.7783  315.513   10.659  304.625   14.871  327.015   15.286  335.448   8.2043  347.563   8.1392 -12.11447 11.55666 
1 1 1   -1    9   44 o   86.731   12.213   21.315   5.5152   19.923   7.9696   22.594   7.6403   83.805   18.126   89.656   16.374 -5.850510 24.42634 
1 1 1   -1    9   45 o  242.331   5.7572  159.150   7.5365  156.760   10.743  161.465   10.575  240.529   8.2654  244.133   8.0165 -3.603836 11.51440 
1 1 1   -1    9   46 o  450.542   6.4457  550.403   15.686  557.983   22.562  543.312   21.824  453.526   9.2064  447.559   9.0237 5.966339 12.89134 
1 1 1   -1    9   47 o  300.690   5.6468  245.098   9.1660  247.350   13.287  243.053   12.661  301.985   8.1425  299.395   7.8260 2.590210 11.29359 
1 1 1   -1    9   48 o  316.943   5.6681  272.678   9.6998  267.935   13.924  277.149   13.520  314.234   8.2002  319.652   7.8273 -5.418152 11.33628 
1 1 1   -1    9   49 o  153.280   8.8261   64.123   7.3062   67.072   10.518   61.374   10.156  156.690   12.423  149.871   12.541 6.819366 17.65221 
1 1 1   -1    9   50 o  192.572   7.9143  101.291   8.2201   93.288   11.512  109.617   11.742  184.747   11.531  200.397   10.843 -15.65038 15.82857 
1 1 1   -1    9   51 o  305.913   7.6789  255.604   12.678  258.333   18.432  253.153   17.466  307.386   11.097  304.441   10.617 2.945404 15.35779 
1 1 1   -1    9   52 o  191.081   7.2836   97.154   7.1150  107.838   12.517   92.054   8.6480  198.329   11.680  183.834   8.7057 14.49524 14.56710 
1 1 1   -1    9   53 o  170.510   7.4798   79.300   6.7602   77.708   8.7107   81.712   10.720  168.592   9.5615  172.428   11.505 -3.835678 14.95958 
1 1 1   -1    9   54 o  162.630   6.7794   72.620   5.9342   69.271   8.6584   75.587   8.1491  158.972   10.079  166.288   9.0690 -7.316391 13.55870 
1 1 1   -1    9   55 o  146.835   7.0457   58.943   5.5746   62.394   8.2700   56.068   7.5470  150.713   10.155  142.956   9.7697 7.756500 14.09134 
1 1 1   -1    9   56 o   65.927   13.395   12.857   5.0224   13.159   7.2304   12.575   6.9818   66.625   19.098   65.229   18.787 1.396179 26.78927 
1 1 1   -1    9   57 o  251.514   8.9446  176.946   12.107  172.477   17.804  180.788   16.511  248.141   13.278  254.886   11.988 -6.744827 17.88920 
1 1 1   -1    9   58 o  207.467   9.2752  121.130   10.321  117.635   15.424  123.964   13.888  204.226   13.977  210.707   12.197 -6.480652 18.55049 
1 1 1   -1    9   59 o  131.362   10.951   49.693   6.7983   48.784   13.187   50.022   7.9339  128.668   18.966  134.055   10.953 -5.387039 21.90113 
1 1 1   -1    9   60 o  140.933   7.9321   54.520   5.9806   66.103   9.1596   45.912   7.8961  153.822   11.020  128.043   11.412 25.77963 15.86415 
1 1 1   -1    9   61 o  123.602   8.4472   42.977   5.6087   43.583   8.4189   42.494   7.5206  124.122   12.552  123.082   11.308 1.039467 16.89432 
1 1 1   -1    9   62 o   63.130   14.044   12.366   5.3451   11.754   7.9237   12.877   7.2407   61.908   20.414   64.352   19.294 -2.444027 28.08896 
1 1 1   -1    9   63 o  146.303   7.9460   60.703   6.2321   57.857   9.2722   63.048   8.4169  142.705   12.024  149.902   10.391 -7.196716 15.89197 
1 1 1   -1    9   64 o   53.200   13.276   6.7202   5.6376  -2.9175   8.2810   15.046   7.6966   38.720   17.700   67.680   19.792 -28.96044 26.55242 
1 1 1   -1    9   65 o  207.702   6.7196  121.223   7.5170  112.908   10.788  129.071   10.480  200.391   9.9624  215.013   9.0202 -14.62218 13.43924 
1 1 1   -1    9   66 o   54.720   14.628   9.2068   5.9177   8.7064   8.8454   9.6122   7.9620   54.196   21.060   55.245   20.308 -1.049072 29.25687 
1 1 1   -1    9   67 o   41.278   13.025  -0.6662   5.8958   3.9865   9.0888  -4.0465   7.7470   47.011   20.114   35.544   16.553 11.46635 26.04950 
1 1 1   -1    9   68 o   69.000   14.825   17.299   6.0115   21.356   9.1806   14.254   7.9537   75.551   21.474   62.449   20.446 13.10193 29.65052 
1 1 1   -1   10    1 o  422.260   8.2656  481.961   18.860   0.0000   0.0000  481.961   18.860  ?   ?   422.260   8.2656      ?      ? 
1 1 1   -1   10    2 o  976.325   11.872  2579.56   62.619  2612.67   89.780  2548.19   87.382  982.411   16.912  970.240   16.667 12.17053 23.74460 
1 1 1   -1   10    4 o  653.028   11.633  1153.38   41.049   0.0000   0.0000  1153.38   41.049  ?   ?   653.028   11.633      ?      ? 
1 1 1   -1   10    5 o  885.293   10.803  2121.16   51.668  2095.71   72.201  2147.86   73.969  879.863   15.186  890.722   15.368 -10.85931 21.60531 
1 1 1   -1   10    7 o  826.440   10.147  1848.43   45.303  1819.85   63.144  1878.75   65.034  819.871   14.253  833.008   14.448 -13.13715 20.29491 
1 1 1   -1   10    8 o  353.869   5.2205  338.332   9.9781  344.765   14.372  332.347   13.864  357.113   7.4479  350.626   7.3172 6.486847 10.44097 
1 1 1   -1   10    9 o  312.869   6.9818  264.613   11.804   0.0000   0.0000  264.613   11.804  ?   ?   312.869   6.9818      ?      ? 
1 1 1   -1   10   13 o  691.257   17.295  1295.72   64.602  1295.72   64.602   0.0000   0.0000  691.257   17.295  ?   ?       ?      ? 
1 1 1   -1   10   14 o  617.155   11.056  1031.56   36.849  1050.90   53.220  1013.74   51.072  622.688   15.817  611.623   15.453 11.06531 22.11236 
1 1 1   -1   10   15 o  690.418   12.186  1292.91   45.462  1292.57   64.440  1293.24   64.148  690.321   17.275  690.515   17.192 -0.1931763 24.37176 
1 1 1   -1   10   16 o  755.532   13.216  1549.53   53.948  1562.16   77.070  1537.39   75.542  758.529   18.803  752.534   18.577 5.995178 26.43207 
1 1 1   -1   10   17 f  483.789   7.8373  631.492   19.349  627.414   23.702  639.640   33.501  481.596   9.1080  485.981   12.757 -4.384827 15.67467 
1 1 1   -1   10   18 o  524.501   6.8558  744.290   19.431  741.444   27.477  747.137   27.482  523.497   9.7132  525.505   9.6779 -2.008545 13.71159 
1 1 1   -1   10   19 o  226.027   4.5491  137.979   5.5498  140.688   8.0742  135.553   7.6411  228.125   6.5499  223.928   6.3148 4.196976 9.098218 
1 1 1   -1   10   20 o  667.640   8.3864  1206.26   30.251  1191.21   42.322  1221.97   43.255  663.390   11.806  671.889   11.914 -8.498535 16.77271 
1 1 1   -1   10   21 o  655.172   10.274  1137.69   33.308  1102.12   39.499  1225.22   61.965  638.159   11.454  672.185   17.060 -34.02667 20.54824 
1 1 1   -1   10   22 o  355.233   7.7474  340.621   14.851  356.081   21.711  327.027   20.359  362.785   11.075  347.680   10.837 15.10541 15.49487 
1 1 1   -1   10   23 o  214.885   7.1574  124.875   8.3098  127.905   11.822  121.914   11.683  217.464   10.060  212.307   10.184 5.156754 14.31483 
1 1 1   -1   10   24 o  280.614   7.3159  212.129   11.070  199.595   15.074  226.802   16.309  271.655   10.269  289.574   10.423 -17.91907 14.63171 
1 1 1   -1   10   25 o  205.629   6.3283  108.094   6.2279  127.838   12.497  101.570   7.1835  217.410   10.638  193.848   6.8579 23.56117 12.65653 
1 1 1   -1   10   26 o  732.758   9.1261  1452.68   36.135  1451.52   51.170  1453.82   51.036  732.466   12.928  733.049   12.884 -0.5827637 18.25219 
1 1 1   -1   10   27 f  516.522   6.8729  721.356   19.181  721.766   27.326  720.958   26.930  516.664   9.7878  516.380   9.6513 0.2840576 13.74587 
1 1 1   -1   10   28 o  471.530   6.4201  601.155   16.358  598.254   23.187  604.029   23.080  470.396   9.1220  472.664   9.0365 -2.268219 12.84012 
1 1 1   -1   10   29 o  333.717   5.2932  300.855   9.5381  305.620   13.800  296.497   13.198  336.243   7.5953  331.191   7.3745 5.051788 10.58642 
1 1 1   -1   10   30 o  811.206   10.008  1781.04   43.869  1770.17   61.808  1792.06   62.274  808.714   14.144  813.698   14.163 -4.984009 20.01587 
1 1 1   -1   10   31 o  869.221   10.672  2045.62   50.126  2045.33   71.034  2045.91   70.745  869.155   15.124  869.286   15.061 -0.1311646 21.34421 
1 1 1   -1   10   32 o  280.108   5.2741  212.129   7.9808  211.106   11.400  213.113   11.177  279.444   7.5496  280.773   7.3666 -1.329102 10.54810 
1 1 1   -1   10   33 o  532.737   7.1223  765.584   20.467  732.929   27.953  803.324   30.051  520.533   9.9379  544.941   10.205 -24.40747 14.24458 
1 1 1   -1   10   34 f  359.572   5.7928  349.118   11.248  334.446   15.576  365.103   16.259  351.689   8.1963  367.455   8.1883 -15.76602 11.58565 
1 1 1   -1   10   35 o  303.510   5.6347  248.819   9.2357  237.786   12.842  260.639   13.292  296.547   8.0142  310.473   7.9228 -13.92606 11.26933 
1 1 1   -1   10   36 o  593.744   7.7915  953.348   24.983  973.516   36.104  934.820   34.605  599.754   11.140  587.735   10.896 12.01880 15.58301 
1 1 1   -1   10   37 o  298.022   7.3589  234.498   10.843  226.359   12.840  254.730   20.243  289.311   8.2129  306.732   12.213 -17.42068 14.71772 
1 1 1   -1   10   38 o  510.508   7.0548  705.358   19.461  703.184   27.547  707.524   27.498  509.721   10.001  511.296   9.9526 -1.574860 14.10951 
1 1 1   -1   10   39 o  258.982   7.4770  181.855   9.5950  180.901   17.475  182.266   11.480  258.391   12.515  259.574   8.1848 -1.183502 14.95403 
1 1 1   -1   10   40 o  286.282   5.7941  221.763   8.9623  217.391   12.646  226.176   12.704  283.444   8.2564  289.121   8.1313 -5.677155 11.58823 
1 1 1   -1   10   41 o  379.649   6.0350  390.226   12.378  386.660   17.629  393.693   17.385  377.930   8.6324  381.368   8.4361 -3.438751 12.07008 
1 1 1   -1   10   42 o  447.738   6.4931  541.648   15.689  517.970   21.523  568.493   22.917  437.331   9.1076  458.145   9.2570 -20.81454 12.98620 
1 1 1   -1   10   43 o  353.440   5.8967  338.310   11.261  337.314   16.004  339.287   15.848  352.920   8.3920  353.961   8.2859 -1.040985 11.79333 
1 1 1   -1   10   44 o   98.946   10.228   26.667   5.4493   29.753   7.8285   23.766   7.5898  104.532   13.859   93.360   15.045 11.17128 20.45543 
1 1 1   -1   10   45 o  345.566   5.7991  323.682   10.827  316.910   15.317  330.444   15.306  341.942   8.2896  349.191   8.1118 -7.248718 11.59824 
1 1 1   -1   10   46 o  133.071   8.0533   49.285   5.6214   36.274   8.0361   61.753   7.8664  115.345   12.893  150.797   9.6538 -35.45141 16.10669 
1 1 1   -1   10   47 o  238.435   5.8641  153.743   7.5250  159.995   11.243  148.670   10.128  242.775   8.5699  234.095   8.0067 8.680130 11.72823 
1 1 1   -1   10   48 o  252.070   7.4293  173.021   10.112  171.104   14.535  174.820   14.077  250.675   10.731  253.464   10.278 -2.788788 14.85855 
1 1 1   -1   10   49 o  233.835   7.7013  149.619   9.7012  140.045   13.952  158.581   13.499  226.463   11.401  241.207   10.357 -14.74448 15.40258 
1 1 1   -1   10   50 o  229.737   6.7262  140.756   8.1152  131.641   10.191  156.554   13.416  219.971   8.5737  239.503   10.366 -19.53261 13.45245 
1 1 1   -1   10   51 o  392.920   6.0999  420.424   12.948  414.542   18.453  426.128   18.172  390.168   8.7522  395.671   8.4991 -5.502930 12.19987 
1 1 1   -1   10   52 o  107.502   11.342   28.889   6.0534   48.806   10.747   19.634   7.3262  132.599   14.999   82.405   17.016 50.19342 22.68300 
1 1 1   -1   10   53 o  112.185   10.380   37.538   5.6194   21.770   8.0963   52.195   7.8056   86.420   17.925  137.949   10.471 -51.52924 20.75954 
1 1 1   -1   10   54 o  105.237   10.693   31.016   5.9743   31.268   7.7848   30.653   9.3186  106.103   13.578  104.372   16.523 1.730377 21.38582 
1 1 1   -1   10   55 o   38.965   12.080  -1.1555   4.9118  -3.3501   7.3252   0.6373   6.6206   37.366   16.910   40.564   17.256 -3.198097 24.16060 
1 1 1   -1   10   56 o  199.116   7.8162  108.522   7.9990  106.011   9.8448  113.401   13.722  196.447   9.2741  201.786   12.584 -5.339554 15.63241 
1 1 1   -1   10   57 o  174.753   10.513   87.625   9.7803   73.851   14.183  100.113   13.505  160.644   16.339  188.862   13.233 -28.21828 21.02536 
1 1 1   -1   10   58 o  122.548   14.366   46.085   8.9808   33.423   12.881   58.063   12.528  102.924   23.655  142.172   16.308 -39.24719 28.73171 
1 1 1   -1   10   59 o   79.192   12.240   20.478   5.5614   6.9769   8.4453   30.815   7.3899   53.955   20.682  104.430   13.096 -50.47456 24.47939 
1 1 1   -1   10   60 o  179.686   6.6697   89.172   6.4504   93.464   9.6409   85.694   8.6791  183.438   9.7261  175.933   9.1293 7.505295 13.33949 
1 1 1   -1   10   61 o   84.219   12.625   21.778   5.4960   20.636   8.5550   22.580   7.1718   81.327   19.680   87.111   15.818 -5.783295 25.24909 
1 1 1   -1   10   62 o  136.150   8.2272   51.887   6.0154   60.447   9.0198   45.029   8.0729  146.271   11.412  126.030   11.854 20.24173 16.45437 
1 1 1   -1   10   63 o  149.799   8.1282   64.150   6.5348   60.786   9.6456   67.005   8.8844  145.631   12.257  153.966   10.679 -8.335052 16.25638 
1 1 1   -1   10   64 o  101.714   11.522   31.158   6.0940   38.839   9.0153   24.697   8.2693  114.814   14.531   88.614   17.886 26.19941 23.04473 
1 1 1   -1   10   65 o   36.842   12.129  -5.7036   5.9934 -10.7867   9.1608  -1.8997   7.9247   34.552   16.631   39.132   17.660 -4.580341 24.25800 
1 1 1   -1   10   66 o   92.864   12.633   28.099   6.1658   36.754   9.3216   21.366   8.2213  107.637   16.026   78.092   19.533 29.54543 25.26592 
1 1 1   -1   10   67 o   80.125   14.453   21.590   6.3072   29.249   9.8400   16.249   8.2172   92.285   20.285   67.964   20.594 24.32151 28.90687 
1 1 1   -1   11    1 o  687.400   10.531  1270.26   36.499  1305.86   64.930  1253.81   44.131  694.103   17.312  680.697   11.998 13.40619 21.06273 
1 1 1   -1   11    3 o  166.740   7.0104   75.157   6.3165   0.0000   0.0000   75.157   6.3165  ?   ?   166.740   7.0104      ?      ? 
1 1 1   -1   11    6 f  415.918   5.8408  467.228   13.117  480.739   18.998  454.919   18.134  421.655   8.3381  410.181   8.1813 11.47366 11.68151 
1 1 1   -1   11   10 o  479.225   8.0049  605.180   18.904  661.036   35.538  583.139   22.324  494.099   13.310  464.352   8.8968 29.74741 16.00989 
1 1 1   -1   11   11 o  386.212   7.9401  403.001   16.545  414.640   24.205  392.793   22.668  391.427   11.444  380.998   11.010 10.42825 15.88017 
1 1 1   -1   11   12 f  889.646   15.424  2145.78   73.986  2234.91  109.070  2069.82  100.696  906.599   22.264  872.694   21.353 33.90448 30.84861 
1 1 1   -1   11   13 o  648.513   11.592  1140.35   40.620  1145.49   57.876  1135.36   57.026  649.942   16.479  647.084   16.309 2.857422 23.18489 
1 1 1   -1   11   14 o  393.555   6.8636  423.173   14.033  434.751   17.704  403.604   23.016  400.945   8.1714  386.164   11.030 14.78076 13.72714 
1 1 1   -1   11   15 o  453.098   6.1953  554.909   15.159  565.821   21.913  544.896   20.992  457.360   8.8667  448.836   8.6551 8.524170 12.39069 
1 1 1   -1   11   16 o  801.953   9.9073  1742.51   42.933  1743.25   60.835  1741.77   60.598  802.120   14.035  801.786   13.987 0.3334961 19.81460 
1 1 1   -1   11   17 o  359.105   5.3676  348.642   10.412  350.378   14.949  347.006   14.510  359.970   7.6850  358.240   7.4956 1.729767 10.73516 
1 1 1   -1   11   18 o  443.892   6.1359  532.355   14.709  518.146   20.365  547.849   21.266  437.709   8.6103  450.074   8.7441 -12.36438 12.27179 
1 1 1   -1   11   19 o  409.586   11.732  454.054   25.966   0.0000   0.0000  454.054   25.966  ?   ?   409.586   11.732      ?      ? 
1 1 1   -1   11   20 o  364.169   7.8589  357.778   15.436  375.450   22.696  342.568   21.056  372.504   11.275  355.833   10.951 16.67142 15.71782 
1 1 1   -1   11   21 o  523.395   9.8579  741.657   27.880  739.640   39.337  743.694   39.521  522.681   13.928  524.110   13.955 -1.428467 19.71571 
1 1 1   -1   11   22 o  925.701   16.062  2325.70   80.295  2279.28  111.273  2376.13  115.983  916.122   22.477  935.281   22.949 -19.15894 32.12320 
1 1 1   -1   11   23 o  532.657   8.6436  765.312   23.286  774.324   41.023  761.028   28.285  534.832   14.194  530.482   9.8673 4.349854 17.28719 
1 1 1   -1   11   24 o  379.192   5.6025  388.701   11.479  382.622   16.207  394.820   16.260  376.216   7.9723  382.168   7.8736 -5.952454 11.20497 
1 1 1   -1   11   25 o  695.418   8.7192  1307.89   32.759  1322.53   46.882  1293.92   45.793  699.216   12.408  691.620   12.253 7.596130 17.43836 
1 1 1   -1   11   27 o  804.740   9.9595  1752.62   43.309  1740.77   61.033  1764.64   61.464  802.000   14.083  807.480   14.086 -5.479553 19.91902 
1 1 1   -1   11   28 o  843.747   14.675  1927.09   66.910   0.0000   0.0000  1927.09   66.910  ?   ?   843.747   14.675      ?      ? 
1 1 1   -1   11   29 o  496.121   6.7037  665.471   17.971  656.349   25.267  674.809   25.565  492.680   9.4907  499.561   9.4703 -6.880951 13.40744 
1 1 1   -1   11   30 o  437.531   6.2378  517.156   14.734  527.207   21.385  508.073   20.329  441.569   8.9624  433.492   8.6786 8.077026 12.47567 
1 1 1   -1   11   31 o  388.489   5.8692  408.087   12.320  401.054   17.412  415.137   17.433  385.135   8.3666  391.843   8.2334 -6.708435 11.73835 
1 1 1   -1   11   32 o  1120.81   13.568  3405.41   82.105  3324.00  113.388  3495.15  119.047  1106.80   18.959  1134.82   19.413 -28.01978 27.13504 
1 1 1   -1   11   33 o  350.677   5.8206  330.613   10.998  304.234   14.912  362.075   16.285  335.428   8.2271  365.927   8.2360 -30.49899 11.64119 
1 1 1   -1   11   34 o  247.763   5.7463  165.990   7.6927  166.061   10.952  165.921   10.807  247.814   8.1788  247.712   8.0739 0.1021729 11.49265 
1 1 1   -1   11   35 f  592.221   7.7967  948.850   24.946  933.464   34.841  965.033   35.732  587.301   10.979  597.141   11.074 -9.839722 15.59349 
1 1 1   -1   11   36 o  224.366   13.845  136.374   16.786   0.0000   0.0000  136.374   16.786  ?   ?   224.366   13.845      ?      ? 
1 1 1   -1   11   37 o  217.425   6.5052  128.060   7.5887  108.863   10.569  148.488   10.903  200.567   9.7521  234.283   8.6120 -33.71681 13.01039 
1 1 1   -1   11   38 o  602.738   9.8289  983.306   29.856  989.640   52.874  980.341   36.175  603.784   16.206  601.692   11.126 2.091614 19.65778 
1 1 1   -1   11   39 o  639.642   8.3021  1108.06   28.686  1085.06   39.940  1132.57   41.227  632.800   11.680  646.484   11.801 -13.68433 16.60425 
1 1 1   -1   11   40 o  548.495   7.4065  812.986   21.916  778.730   29.957  852.431   32.145  536.117   10.341  560.873   10.606 -24.75568 14.81309 
1 1 1   -1   11   41 o  456.888   6.5837  563.434   16.223  534.345   22.122  597.281   23.863  444.184   9.2167  469.591   9.4039 -25.40744 13.16745 
1 1 1   -1   11   42 o  152.118   7.5323   62.042   6.1557   71.419   9.2698   54.644   8.2330  162.289   10.570  141.948   10.734 20.34067 15.06460 
1 1 1   -1   11   43 o  273.901   5.7621  203.317   8.5236  199.925   12.195  206.557   11.919  271.652   8.3074  276.149   7.9871 -4.496765 11.52423 
1 1 1   -1   11   44 o  572.096   7.6250  887.877   23.555  861.741   32.577  916.515   34.100  563.305   10.702  580.886   10.864 -17.58136 15.24990 
1 1 1   -1   11   45 o  134.316   7.8720   48.647   5.6864   55.632   8.4640   42.900   7.6769  143.044   10.950  125.587   11.312 17.45674 15.74404 
1 1 1   -1   11   46 o  503.223   8.4316  697.664   22.021  663.063   36.134  718.109   27.775  492.526   13.577  513.920   10.002 -21.39413 16.86310 
1 1 1   -1   11   47 o  388.318   8.2892  411.101   17.391  401.351   24.535  420.946   24.654  383.657   11.835  392.978   11.610 -9.321167 16.57845 
1 1 1   -1   11   48 o  801.023   14.408  1787.43   62.301  1736.71   85.829  1843.92   90.577  789.339   20.123  812.707   20.625 -23.36768 28.81516 
1 1 1   -1   11   49 o  365.666   5.9977  363.239   11.835  371.338   17.269  356.067   16.251  369.457   8.6501  361.875   8.3107 7.581268 11.99550 
1 1 1   -1   11   50 o  579.735   7.7488  918.774   24.267  927.271   34.808  910.737   33.850  582.277   11.063  577.193   10.853 5.083557 15.49758 
1 1 1   -1   11   51 o  106.842   9.6386   31.717   5.5033   29.763   8.2645   33.274   7.3767  103.674   14.752  110.010   12.409 -6.335335 19.27728 
1 1 1   -1   11   52 o  111.077   9.0397   33.837   5.4029   38.467   7.9900   29.936   7.3339  118.079   12.522  104.076   13.041 14.00359 18.07947 
1 1 1   -1   11   53 o   91.692   13.403   26.001   5.9106   20.318   10.990   28.314   7.0109   82.225   23.538  101.160   12.826 -18.93512 26.80531 
1 1 1   -1   11   54 o   87.688   12.989   22.686   6.0562   26.685   8.3625   18.275   8.7824   97.310   15.903   78.066   20.541 19.24371 25.97805 
1 1 1   -1   11   55 o  276.545   6.8133  211.501   9.9976  217.481   13.076  203.086   15.511  281.767   8.5881  271.323   10.580 10.44382 13.62659 
1 1 1   -1   11   56 o  241.641   9.2546  163.585   12.084  162.568   17.123  164.595   17.056  240.847   13.157  242.435   13.019 -1.587418 18.50924 
1 1 1   -1   11   57 o  128.383   13.476   47.979   9.3201   51.261   13.862   45.270   12.591  132.190   19.406  124.575   18.704 7.614983 26.95230 
1 1 1   -1   11   58 o  137.234   10.939   55.520   7.1053   50.518   13.454   57.454   8.3673  130.775   19.039  143.694   10.776 -12.91870 21.87725 
1 1 1   -1   11   59 o  136.413   8.4219   50.062   5.9995   72.694   9.5247   35.176   7.7245  161.305   10.927  111.520   12.818 49.78568 16.84385 
1 1 1   -1   11   60 o  108.694   9.9913   33.647   5.8218   35.144   8.8767   32.517   7.7121  110.478   14.869  106.910   13.350 3.567841 19.98254 
1 1 1   -1   11   61 o   92.294   11.815   24.824   5.7085   30.959   8.9020   20.538   7.4395  102.689   16.043   81.898   17.350 20.79057 23.63024 
1 1 1   -1   11   62 o   52.846   14.287   7.2383   5.6836   6.9504   8.3630   7.4854   7.7479   52.753   20.484   52.939   19.923 -0.1859665 28.57449 
1 1 1   -1   11   63 o  136.332   9.0311   53.882   6.6240   54.135   9.8328   53.671   8.9630  136.186   13.362  136.479   12.154 -0.2933502 18.06210 
1 1 1   -1   11   64 o  170.337   11.754   82.812   10.819   82.812   10.819   0.0000   0.0000  170.337   11.754  ?   ?       ?      ? 
1 1 1   -1   11   65 f  141.468   8.8912   59.061   6.7509   55.954   9.9445   61.717   9.1941  137.215   13.412  145.721   11.676 -8.505203 17.78241 
1 1 1   -1   11   66 o   36.050   12.095  -7.0354   6.2333  -3.9257   9.5742  -9.3232   8.2121   39.652   18.445   32.448   15.650 7.204075 24.19011 
1 1 1   -1   11   67 o  151.439   8.5794   69.577   6.8634   60.119   10.295   77.143   9.2080  140.178   13.592  162.699   10.474 -22.52148 17.15884 
1 1 1   -1   12    1 o  481.443   7.8045  634.138   19.474  601.802   32.070  653.026   24.510  471.507   12.587  491.378   9.2309 -19.87100 15.60898 
1 1 1   -1   12    6 o  823.703   12.459  1847.92   52.541  1815.99   89.660  1864.62   64.840  817.743   20.291  829.663   14.463 -11.91992 24.91751 
1 1 1   -1   12    7 o  698.591   12.468  1323.76   47.065  1322.52   66.622  1325.00   66.497  698.260   17.657  698.922   17.607 -0.6614380 24.93529 
1 1 1   -1   12    8 o  318.676   7.5641  271.223   12.928  304.730   19.817  246.396   17.058  335.578   10.929  301.774   10.461 33.80438 15.12817 
1 1 1   -1   12    9 o  526.953   9.9191  751.468   28.229  730.405   39.131  774.324   40.762  519.270   13.946  534.637   14.109 -15.36755 19.83819 
1 1 1   -1   12   10 o  347.848   7.6425  327.125   14.351  334.234   20.847  320.721   19.786  351.428   10.978  344.268   10.636 7.160126 15.28499 
1 1 1   -1   12   11 o  135.761   7.3182   52.858   5.0060   60.580   6.3523   40.203   8.1320  149.673   7.8542  121.849   12.351 27.82371 14.63647 
1 1 1   -1   12   12 o  170.410   4.9661   78.320   4.5671   82.690   6.6650   74.452   6.2707  174.880   7.0530  165.940   6.9932 8.939285 9.932236 
1 1 1   -1   12   13 f  122.299   6.3322   40.352   4.1791   42.769   6.0987   38.212   5.7381  125.743   8.9757  118.855   8.9344 6.887299 12.66435 
1 1 1   -1   12   14 o  498.086   8.1741  666.455   20.621  657.185   25.031  686.036   36.379  492.891   9.3982  503.281   13.377 -10.38968 16.34812 
1 1 1   -1   12   15 o  342.243   7.5995  316.799   14.051  308.784   19.627  325.225   20.124  337.805   10.752  346.682   10.742 -8.877228 15.19903 
1 1 1   -1   12   16 o  1029.71   17.756  2887.44   98.771  2849.10  137.824  2927.93  141.620  1022.74   24.939  1036.68   25.281 -13.93658 35.51128 
1 1 1   -1   12   17 o  505.601   9.6091  691.737   26.236  706.531   37.921  678.153   36.337  510.770   13.740  500.432   13.437 10.33728 19.21824 
1 1 1   -1   12   18 o  434.973   8.6673  510.234   20.325  538.288   30.019  486.487   27.618  445.961   12.457  423.984   12.055 21.97748 17.33459 
1 1 1   -1   12   19 o  814.316   14.265  1798.41   62.743  1829.50   90.283  1769.37   87.258  821.089   20.348  807.543   19.996 13.54688 28.52901 
1 1 1   -1   12   20 f  956.468   14.157  2518.17   70.860  2326.58  113.095  2641.99   90.919  925.540   22.613  987.396   17.040 -61.85632 28.31472 
1 1 1   -1   12   21 o  534.164   7.0548  771.398   20.360  756.912   28.476  786.547   29.121  529.037   9.9611  539.292   9.9928 -10.25568 14.10960 
1 1 1   -1   12   22 o  462.252   6.3460  577.518   15.844  584.503   22.801  570.994   22.034  464.951   9.0751  459.554   8.8730 5.397003 12.69202 
1 1 1   -1   12   23 o  184.542   5.2370   92.230   5.2115   88.439   7.5159   95.740   7.2325  180.879   7.6896  188.204   7.1116 -7.324539 10.47405 
1 1 1   -1   12   24 o  1050.46   12.719  2988.85   72.196  2980.45  101.878  2997.32  102.325  1048.98   17.973  1051.94   18.001 -2.960815 25.43770 
1 1 1   -1   12   25 o  805.561   14.089  1756.17   61.329   0.0000   0.0000  1756.17   61.329  ?   ?   805.561   14.089      ?      ? 
1 1 1   -1   12   26 o  570.935   7.4621  880.414   23.004  853.448   31.771  910.127   33.350  561.762   10.466  580.107   10.639 -18.34497 14.92417 
1 1 1   -1   12   27 o  444.709   6.2566  534.639   15.031  537.167   21.527  532.234   20.997  445.731   8.9376  443.686   8.7578 2.045197 12.51318 
1 1 1   -1   12   28 o  629.867   8.0857  1073.13   27.518  1075.74   39.190  1070.58   38.648  630.619   11.501  629.115   11.369 1.503906 16.17131 
1 1 1   -1   12   29 o  332.727   5.5286  299.277   9.9290  299.525   14.388  299.052   13.719  332.853   7.9996  332.600   7.6333 0.2534180 11.05714 
1 1 1   -1   12   30 o  693.015   8.7830  1299.80   32.890  1296.18   46.521  1303.43   46.507  692.047   12.440  693.984   12.402 -1.936157 17.56591 
1 1 1   -1   12   31 o  390.972   5.9956  413.285   12.664  402.317   17.791  424.550   18.031  385.712   8.5361  396.231   8.4216 -10.51886 11.99115 
1 1 1   -1   12   32 f  354.469   5.8094  339.705   11.124  341.545   15.958  337.966   15.515  355.400   8.3092  353.539   8.1211 1.860748 11.61878 
1 1 1   -1   12   33 o  440.042   6.4494  522.504   15.317  497.596   21.051  550.525   22.329  428.926   9.0826  451.158   9.1589 -22.23184 12.89880 
1 1 1   -1   12   34 o  258.685   5.8768  180.944   8.2127  182.184   11.764  179.765   11.471  259.547   8.3878  257.823   8.2335 1.724731 11.75353 
1 1 1   -1   12   35 o  402.514   8.0201  438.968   16.193  439.694   19.562  437.387   28.862  403.180   8.9791  401.849   13.291 1.331421 16.04012 
1 1 1   -1   12   36 o  465.812   8.4652  583.644   19.789  576.875   23.839  598.649   35.490  461.708   9.5549  469.917   13.976 -8.208801 16.93038 
1 1 1   -1   12   37 o  844.610   12.926  1944.49   55.637  1922.52   95.964  1955.61   68.284  840.151   21.138  849.070   14.883 -8.918701 25.85183 
1 1 1   -1   12   38 o  339.318   6.0043  311.635   10.998  309.953   15.894  313.180   15.234  338.427   8.6912  340.209   8.2867 -1.781891 12.00863 
1 1 1   -1   12   39 o  409.691   6.2859  454.298   13.912  459.402   19.967  449.483   19.394  411.919   8.9703  407.463   8.8083 4.455872 12.57186 
1 1 1   -1   12   40 o  353.483   6.0075  337.908   11.466  320.440   15.948  356.600   16.498  344.030   8.5788  362.936   8.4121 -18.90659 12.01491 
1 1 1   -1   12   41 o  724.182   9.2029  1424.63   36.012  1412.53   50.738  1436.91   51.122  721.082   13.021  727.282   13.008 -6.200500 18.40573 
1 1 1   -1   12   42 o  290.008   5.9422  227.643   9.2884  206.032   12.916  250.791   13.367  275.741   8.6684  304.275   8.1299 -28.53445 11.88432 
1 1 1   -1   12   43 o  463.029   6.6672  581.583   16.680  579.337   23.749  583.770   23.431  462.131   9.5104  463.927   9.3465 -1.796143 13.33436 
1 1 1   -1   12   44 o  157.786   7.1602   66.682   6.0621   76.658   9.2422   59.150   8.0310  167.995   10.181  147.577   10.071 20.41808 14.32042 
1 1 1   -1   12   45 f  108.813   12.659   33.943   6.9940   29.640   11.044   36.824   9.0370  101.631   20.811  115.995   14.418 -14.36382 25.31744 
1 1 1   -1   12   46 f   87.028   14.968   21.844   6.9365   21.975   10.451   21.741   9.2738   87.161   22.144   86.896   20.143 0.2651825 29.93521 
1 1 1   -1   12   47 o  383.928   7.2314  398.399   14.434  390.593   18.017  412.387   24.118  379.109   8.7951  388.746   11.481 -9.636932 14.46272 
1 1 1   -1   12   48 o  208.163   6.1613  118.310   6.9038  110.807   9.9933  125.161   9.5489  201.750   9.1666  214.575   8.2354 -12.82518 12.32265 
1 1 1   -1   12   49 o  210.233   6.2520  120.937   7.0640  112.405   10.296  128.526   9.7101  203.091   9.3815  217.376   8.2666 -14.28433 12.50397 
1 1 1   -1   12   50 o  314.532   5.8629  268.669   9.9388  277.922   14.687  260.852   13.499  319.453   8.5083  309.610   8.0687 9.842560 11.72583 
1 1 1   -1   12   51 o  234.638   5.8743  149.522   7.4287  157.970   10.999  142.436   10.073  240.670   8.4577  228.606   8.1545 12.06367 11.74854 
1 1 1   -1   12   52 o   86.963   11.905   21.340   5.4577   27.081   8.1731   16.719   7.3319   98.465   15.361   75.461   18.193 23.00384 23.81075 
1 1 1   -1   12   53 o  456.460   8.1467  572.306   18.778  582.883   33.159  567.312   22.784  457.850   13.403  455.070   9.2653 2.779968 16.29335 
1 1 1   -1   12   54 o  157.261   14.905   69.572   12.666   69.572   12.666   0.0000   0.0000  157.261   14.905  ?   ?       ?      ? 
1 1 1   -1   12   55 o  320.897   8.6780  282.545   15.048  282.545   15.048   0.0000   0.0000  320.897   8.6780  ?   ?       ?      ? 
1 1 1   -1   12   56 f  153.692   11.855   66.870   9.7453   81.667   14.685   55.225   13.027  169.039   16.077  138.346   17.426 30.69295 23.70940 
1 1 1   -1   12   57 o   93.737   17.291   28.559   9.0933   20.671   13.128   35.833   12.608   80.346   26.265  107.128   22.496 -26.78135 34.58200 
1 1 1   -1   12   58 o  191.567   6.9202  102.618   7.0658   95.721   10.691  107.967   9.4153  185.336   10.675  197.798   8.8090 -12.46181 13.84036 
1 1 1   -1   12   59 o   62.473   14.156   11.762   5.8125   5.4891   8.7502   16.716   7.7761   51.634   20.671   73.312   19.347 -21.67841 28.31211 
1 1 1   -1   12   60 o   70.915   13.092   13.469   5.8064   28.078   9.0490   3.2445   7.5704   95.954   18.116   45.877   18.905 50.07676 26.18371 
1 1 1   -1   12   61 o  123.541   9.4497   42.939   6.2264   53.899   9.5218   34.751   8.2297  137.324   12.832  109.758   13.876 27.56619 18.89943 
1 1 1   -1   12   62 f  186.242   7.0805   98.568   7.0562   89.396   10.382  106.442   9.6197  177.472   10.826  195.013   9.1287 -17.54134 14.16092 
1 1 1   -1   12   63 f   34.771   11.717  -9.6485   6.0961  -4.1587   8.9977 -14.3069   8.2883   39.385   18.167   30.156   14.802 9.229023 23.43375 
1 1 1   -1   12   64 o   67.127   13.105   14.084   6.3705  -2.1961   9.7011   26.427   8.4471   42.562   19.340   91.691   17.690 -49.12908 26.21008 
1 1 1   -1   12   65 o   51.302   13.889   4.6558   6.1462   16.982   9.3820  -4.6115   8.1349   67.094   22.217   35.510   16.675 31.58347 27.77880 
1 1 1   -1   12   66 o   56.749   14.977   10.043   6.3147   15.999   9.5865   5.4788   8.3929   65.727   22.463   47.770   19.814 17.95657 29.95349 
1 1 1   -1   13    6 o  932.054   22.848  2364.86  115.073  2364.86  115.073   0.0000   0.0000  932.054   22.848  ?   ?       ?      ? 
1 1 1   -1   13    7 o  519.298   13.751  730.631   38.587  730.631   38.587   0.0000   0.0000  519.298   13.751  ?   ?       ?      ? 
1 1 1   -1   13    8 o  411.760   8.2539  459.005   18.365  460.360   26.012  457.658   25.932  412.366   11.673  411.154   11.672 1.212158 16.50770 
1 1 1   -1   13    9 o  499.886   9.4672  676.887   25.572  673.649   36.013  680.180   36.318  498.682   13.365  501.089   13.413 -2.407104 18.93434 
1 1 1   -1   13   10 o  1026.27   17.691  2870.49   98.108  2873.87  138.905  2867.12  138.587  1026.86   25.033  1025.67   25.005 1.197754 35.38248 
1 1 1   -1   13   11 o  285.047   7.0055  219.721   10.788  215.473   15.049  224.212   15.472  282.216   9.8683  287.879   9.9463 -5.662903 14.01109 
1 1 1   -1   13   12 o  324.524   7.3326  284.683   12.852  294.144   18.524  275.901   17.847  329.717   10.397  319.331   10.343 10.38608 14.66511 
1 1 1   -1   13   13 o  507.143   9.5930  696.195   26.278  684.234   36.540  709.009   37.819  502.644   13.453  511.642   13.679 -8.998505 19.18595 
1 1 1   -1   13   14 f  325.464   7.4792  286.057   13.139  297.973   19.146  275.450   18.064  331.853   10.677  319.074   10.477 12.77957 14.95839 
1 1 1   -1   13   15 o  489.678   9.3630  648.386   24.753  630.856   34.150  667.793   35.931  482.724   13.092  496.632   13.389 -13.90787 18.72596 
1 1 1   -1   13   16 o  293.412   10.539  232.883   16.710  232.883   16.710   0.0000   0.0000  293.412   10.539  ?   ?       ?      ? 
1 1 1   -1   13   17 o  220.618   7.1477  131.574   8.5211   0.0000   0.0000  131.574   8.5211  ?   ?   220.618   7.1477      ?      ? 
1 1 1   -1   13   18 o  122.923   6.7783   41.824   4.3762   31.127   6.2805   51.918   6.1011  107.271   10.835  138.575   8.1477 -31.30415 13.55659 
1 1 1   -1   13   19 o  452.762   6.3216  554.248   15.465  556.467   22.041  552.098   21.704  453.652   8.9913  451.872   8.8885 1.780457 12.64312 
1 1 1   -1   13   20 o  620.509   7.9750  1041.40   26.740  1033.41   37.667  1049.52   37.966  618.110   11.277  622.908   11.279 -4.797180 15.95002 
1 1 1   -1   13   21 o  469.483   6.4852  595.900   16.451  597.624   23.458  594.231   23.076  470.149   9.2335  468.817   9.1090 1.332306 12.97039 
1 1 1   -1   13   22 o  826.913   10.213  1849.94   45.627  1825.02   63.769  1876.07   65.310  821.216   14.370  832.610   14.516 -11.39392 20.42601 
1 1 1   -1   13   23 o  470.716   6.5027  599.086   16.539  597.518   23.532  600.615   23.249  470.105   9.2633  471.327   9.1285 -1.221619 13.00534 
1 1 1   -1   13   24 o  418.224   6.0515  472.634   13.669  480.117   19.709  465.698   18.974  421.409   8.6550  415.039   8.4603 6.370270 12.10308 
1 1 1   -1   13   25 o  188.929   5.6193   96.947   5.7043   91.234   8.3714  101.898   7.7937  183.702   8.4333  194.155   7.4286 -10.45343 11.23853 
1 1 1   -1   13   26 f  366.347   5.7286  362.543   11.336  348.866   15.798  377.057   16.274  359.230   8.1384  373.464   8.0644 -14.23407 11.45719 
1 1 1   -1   13   27 o  211.818   5.5903  121.590   6.3821  113.092   9.1099  129.781   8.9437  204.527   8.2429  219.109   7.5539 -14.58269 11.18058 
1 1 1   -1   13   28 o  1284.21   15.492  4473.36  107.422  4370.48  148.430  4586.51  155.663  1268.80   21.649  1299.63   22.165 -30.82971 30.98371 
1 1 1   -1   13   29 o  234.589   5.6390  148.893   7.1390  146.737   10.319  150.871   9.8868  232.955   8.1977  236.223   7.7454 -3.268341 11.27802 
1 1 1   -1   13   31 o  310.476   5.8140  260.655   9.7369  240.337   13.635  281.794   13.909  298.124   8.4642  322.829   7.9731 -24.70535 11.62809 
1 1 1   -1   13   33 o  370.408   6.1375  370.879   12.278  353.711   17.165  388.864   17.568  361.631   8.7839  379.185   8.5742 -17.55411 12.27495 
1 1 1   -1   13   34 o  733.811   11.556  1444.27   42.482  1417.81   51.023  1504.05   76.700  723.497   13.051  744.124   19.075 -20.62659 23.11238 
1 1 1   -1   13   35 o  430.233   8.1865  503.060   17.765  506.239   21.591  496.396   31.259  432.532   9.2379  427.934   13.518 4.597321 16.37306 
1 1 1   -1   13   36 o  505.897   8.7469  697.534   22.462  681.306   38.938  705.627   27.499  501.213   14.377  510.581   9.9669 -9.367493 17.49387 
1 1 1   -1   13   37 o  144.884   10.885   63.949   7.2533   42.905   13.186   73.079   8.6853  125.483   19.447  164.285   9.7836 -38.80189 21.76945 
1 1 1   -1   13   38 o  510.190   7.0887  704.798   19.538  688.375   27.286  722.080   27.990  504.094   10.017  516.285   10.033 -12.19153 14.17745 
1 1 1   -1   13   39 o  280.220   5.9277  212.621   8.9670  211.593   12.955  213.567   12.424  279.556   8.5761  280.883   8.1855 -1.327271 11.85541 
1 1 1   -1   13   40 o  529.356   7.2666  759.743   20.785  753.024   29.415  766.443   29.374  527.009   10.329  531.703   10.223 -4.693604 14.53311 
1 1 1   -1   13   41 o  126.209   8.7588   43.257   5.9647   43.997   8.7040   42.602   8.1901  127.209   12.662  125.210   12.105 1.999031 17.51755 
1 1 1   -1   13   42 o  152.542   7.3582   63.366   6.0226   61.415   8.9905   64.954   8.1116  150.358   11.065  154.727   9.7019 -4.368942 14.71631 
1 1 1   -1   13   43 o  321.914   7.1363  281.278   11.737  281.982   20.213  280.920   14.417  321.944   11.619  321.883   8.2888 0.6176758E-01 14.27260 
1 1 1   -1   13   44 o  160.974   9.4084   72.753   7.9505   58.784   11.949   83.851   10.650  146.468   15.097  175.480   11.232 -29.01242 18.81684 
1 1 1   -1   13   45 o  216.605   8.2600  128.946   9.5136  121.306   14.575  134.617   12.558  210.779   12.797  222.431   10.448 -11.65190 16.52008 
1 1 1   -1   13   46 o  536.795   7.3747  784.883   21.391  782.218   30.368  787.507   30.135  535.866   10.487  537.723   10.371 -1.857178 14.74948 
1 1 1   -1   13   47 f  157.503   7.2063   67.077   6.1060   74.091   9.1727   61.495   8.1823  164.819   10.299  150.187   10.082 14.63231 14.41263 
1 1 1   -1   13   48 o  313.622   5.8098  267.460   9.8323  268.211   14.294  266.785   13.547  313.987   8.4245  313.256   8.0028 0.7305908 11.61963 
1 1 1   -1   13   49 o   63.228   14.054   11.190   5.3263   11.419   8.0435   11.011   7.1079   64.019   20.529   62.438   19.200 1.580833 28.10873 
1 1 1   -1   13   50 o  280.401   5.8641  214.274   8.8733  215.162   12.900  213.477   12.225  280.891   8.4990  279.912   8.0821 0.9784546 11.72829 
1 1 1   -1   13   51 o  204.224   6.3160  113.883   6.9421  114.787   10.306  113.132   9.3926  204.867   9.3096  203.581   8.5381 1.286545 12.63203 
1 1 1   -1   13   52 o  156.018   7.5336   68.128   6.2245   59.040   9.3705   75.305   8.3271  146.212   11.860  165.824   9.2931 -19.61220 15.06730 
1 1 1   -1   13   53 o   81.239   12.188   20.813   5.4808   8.3598   8.1825   30.947   7.3813   57.064   20.647  105.414   12.958 -48.34995 24.37613 
1 1 1   -1   13   54 o   90.849   17.014   25.632   8.5086   29.077   12.341   22.511   11.747   96.690   23.784   85.008   24.336 11.68272 34.02776 
1 1 1   -1   13   55 o   44.870   14.671  -9.8121   8.7859 -20.6734   12.981  -0.6320   11.935   38.901   18.973   50.839   22.383 -11.93837 29.34238 
1 1 1   -1   13   56 o  170.818   16.434   83.964   15.169   83.964   15.169   0.0000   0.0000  170.818   16.434  ?   ?       ?      ? 
1 1 1   -1   13   57 o   74.291   16.320   16.872   6.6737   17.764   13.237   16.569   7.7278   75.189   26.360   73.393   19.248 1.796768 32.63952 
1 1 1   -1   13   58 o  173.100   7.1402   82.947   6.6287   87.076   10.101   79.824   8.7849  176.612   10.584  169.588   9.5864 7.023560 14.28030 
1 1 1   -1   13   59 o  320.027   6.1436  282.793   10.606  286.695   15.507  279.365   14.537  321.911   8.9147  318.143   8.4559 3.768280 12.28717 
1 1 1   -1   13   60 o  121.932   9.6890   42.335   6.3470   47.594   9.6207   38.283   8.4456  128.475   13.858  115.388   13.545 13.08688 19.37809 
1 1 1   -1   13   61 o  219.499   6.5938  133.800   7.7844  143.160   11.713  126.394   10.418  226.126   9.5854  212.872   9.0572 13.25430 13.18758 
1 1 1   -1   13   62 o  200.352   7.0024  112.316   7.5496  121.463   11.325  105.001   10.128  207.478   10.102  193.227   9.7002 14.25111 14.00485 
1 1 1   -1   13   63 o   98.662   19.993   31.285   10.294   31.285   10.294   0.0000   0.0000   98.662   19.993  ?   ?       ?      ? 
1 1 1   -1   13   64 o   86.225   14.004   25.895   6.3771   25.037   9.4016   26.626   8.6789   83.735   20.856   88.715   18.694 -4.980164 28.00804 
1 1 1   -1   13   65 o  118.602   10.152   42.627   6.4750   41.019   9.4872   44.029   8.8591  115.774   15.165  121.430   13.501 -5.655914 20.30421 
1 1 1   -1   13   66 f   47.887   20.606   5.4099   9.6385   5.4099   9.6385   0.0000   0.0000   47.887   20.606  ?   ?       ?      ? 
1 1 1   -1   14    1 o  468.004   7.7676  596.714   18.707  579.730   31.496  605.971   23.253  462.700   12.597  473.309   9.0915 -10.60901 15.53527 
1 1 1   -1   14    2 o  546.812   8.1889  822.541   21.558  780.180   40.690  839.072   25.419  536.625   14.032  556.998   8.4454 -20.37329 16.37779 
1 1 1   -1   14    3 o  606.644   7.8803  996.022   25.832  991.711   36.467  1000.36   36.599  605.326   11.149  607.962   11.140 -2.636353 15.76067 
1 1 1   -1   14    6 o  713.069   12.709  1376.76   48.972   0.0000   0.0000  1376.76   48.972  ?   ?   713.069   12.709      ?      ? 
1 1 1   -1   14    7 o  494.797   6.7893  661.682   18.138  676.141   26.295  648.558   25.051  499.940   9.7335  489.653   9.4678 10.28714 13.57863 
1 1 1   -1   14    8 o  472.886   6.5654  604.736   16.772  610.585   24.034  599.183   23.417  475.110   9.3616  470.662   9.2074 4.448120 13.13071 
1 1 1   -1   14   11 o  223.282   5.2477  134.027   6.3083  143.525   9.4278  126.327   8.4886  230.401   7.5725  216.162   7.2672 14.23885 10.49546 
1 1 1   -1   14   13 o  712.043   8.9728  1372.15   34.522  1377.63   49.108  1366.81   48.541  713.443   12.738  710.644   12.641 2.798706 17.94563 
1 1 1   -1   14   15 o  516.129   6.9468  720.211   19.368  729.024   27.819  711.921   26.981  519.188   9.9157  513.071   9.7319 6.116699 13.89358 
1 1 1   -1   14   16 o  695.269   12.436  1308.03   46.720   0.0000   0.0000  1308.03   46.720  ?   ?   695.269   12.436      ?      ? 
1 1 1   -1   14   17 o  233.100   5.2901  146.561   6.6491  151.514   9.7883  142.318   9.0603  236.745   7.6514  229.454   7.3073 7.291718 10.58019 
1 1 1   -1   14   18 o  177.123   5.7922   85.285   5.5092   75.438   7.8733   94.732   7.7117  167.042   8.7225  187.203   7.6234 -20.16115 11.58436 
1 1 1   -1   14   19 o  632.295   8.1276  1080.80   27.762  1060.93   38.694  1101.89   39.853  626.312   11.433  638.279   11.555 -11.96704 16.25525 
1 1 1   -1   14   20 o  1242.02   14.950  4181.62  100.321  4220.45  143.374  4144.37  140.423  1247.64   21.266  1236.39   21.018 11.24609 29.90015 
1 1 1   -1   14   21 o  230.819   5.3296  144.055   6.6422  136.846   9.3607  151.365   9.4265  224.999   7.6991  236.639   7.3718 -11.63966 10.65927 
1 1 1   -1   14   22 o  402.314   5.9886  437.517   13.014  439.668   18.698  435.496   18.124  403.269   8.5804  401.358   8.3565 1.911041 11.97723 
1 1 1   -1   14   24 o  585.744   10.770  927.939   34.087   0.0000   0.0000  927.939   34.087  ?   ?   585.744   10.770      ?      ? 
1 1 1   -1   14   25 o  409.952   6.1386  454.362   13.598  447.271   19.164  461.552   19.296  406.730   8.7195  413.174   8.6428 -6.444580 12.27710 
1 1 1   -1   14   26 o   87.707   10.799   21.417   4.9371   19.439   7.3830   23.017   6.6401   83.196   16.997   92.218   13.325 -9.021507 21.59758 
1 1 1   -1   14   27 o  157.607   6.8262   67.037   5.8019   69.390   8.5316   65.013   7.9136  160.171   9.8573  155.043   9.4456 5.127167 13.65237 
1 1 1   -1   14   28 o  402.319   8.6771  437.721   18.864   0.0000   0.0000  437.721   18.864  ?   ?   402.319   8.6771      ?      ? 
1 1 1   -1   14   29 o  730.953   9.2638  1445.84   36.580  1419.60   50.988  1473.68   52.509  724.129   13.031  737.777   13.171 -13.64764 18.52764 
1 1 1   -1   14   30 o  1022.28   12.491  2833.63   68.987  2793.31   96.307  2876.12   98.868  1014.84   17.562  1029.73   17.768 -14.88708 24.98267 
1 1 1   -1   14   31 o  726.228   13.031  1428.28   51.139   0.0000   0.0000  1428.28   51.139  ?   ?   726.228   13.031      ?      ? 
1 1 1   -1   14   32 o  390.974   6.2896  413.500   13.286  408.426   18.850  418.510   18.730  388.586   8.9771  393.362   8.8119 -4.775940 12.57926 
1 1 1   -1   14   33 f  412.127   6.4661  458.209   14.379  431.944   19.733  487.949   20.997  399.570   9.1391  424.684   9.1498 -25.11365 12.93226 
1 1 1   -1   14   34 o  439.614   8.3106  525.072   18.582  528.262   22.759  518.694   32.183  441.812   9.5329  437.417   13.616 4.394806 16.62128 
1 1 1   -1   14   35 o  556.055   9.2698  848.710   26.478  803.153   44.419  873.820   32.977  544.037   15.110  568.075   10.743 -24.03784 18.53953 
1 1 1   -1   14   36 o  543.840   9.1705  803.902   25.294  797.748   44.095  806.920   30.880  541.904   15.058  545.776   10.471 -3.871704 18.34102 
1 1 1   -1   14   37 o  712.450   12.820  1377.42   49.355   0.0000   0.0000  1377.42   49.355  ?   ?   712.450   12.820      ?      ? 
1 1 1   -1   14   38 o  636.640   8.3298  1099.21   28.653  1079.82   40.149  1119.34   40.904  630.921   11.776  642.359   11.784 -11.43811 16.65969 
1 1 1   -1   14   39 o  438.613   6.5800  521.356   15.594  515.105   22.103  527.551   22.004  435.985   9.3820  441.242   9.2285 -5.256927 13.16002 
1 1 1   -1   14   40 o  479.855   6.8825  623.839   17.836  603.286   24.740  646.085   25.739  471.639   9.7073  488.072   9.7593 -16.43323 13.76496 
1 1 1   -1   14   41 o  209.392   7.6811  122.710   8.1164  108.468   13.829  130.194   10.025  199.624   12.820  219.161   8.4648 -19.53659 15.36225 
1 1 1   -1   14   42 o  247.955   7.8737  168.374   10.466  154.842   15.397  180.000   14.271  238.506   11.946  257.403   10.260 -18.89702 15.74747 
1 1 1   -1   14   43 f  187.008   8.9447   97.084   8.7993   87.275   13.718  103.941   11.470  178.599   14.214  195.417   10.862 -16.81841 17.88930 
1 1 1   -1   14   44 o  278.611   5.9251  210.728   8.9092  197.245   12.521  224.556   12.680  269.548   8.5962  287.673   8.1569 -18.12442 11.85028 
1 1 1   -1   14   45 o  118.489   9.0329   37.709   5.7289   45.442   8.7660   31.944   7.5691  128.923   12.583  108.055   12.963 20.86829 18.06579 
1 1 1   -1   14   46 o  114.197   9.3185   35.619   5.7098   37.106   8.6731   34.481   7.5856  116.206   13.812  112.188   12.513 4.017746 18.63709 
1 1 1   -1   14   47 o  204.398   6.3489  113.951   6.9481  112.348   10.523  115.189   9.2517  203.010   9.5925  205.787   8.3198 -2.777679 12.69783 
1 1 1   -1   14   48 o  133.241   8.3665   47.736   5.9590   58.525   9.1366   39.749   7.8611  146.131   11.571  120.351   12.088 25.77961 16.73295 
1 1 1   -1   14   49 o  233.628   6.0121  146.895   7.5378  166.697   11.503  131.994   9.9785  247.219   8.6111  220.038   8.3923 27.18105 12.02416 
1 1 1   -1   14   50 o  285.329   5.8923  222.235   9.0633  220.170   13.247  224.053   12.427  283.981   8.6326  286.677   8.0221 -2.695953 11.78456 
1 1 1   -1   14   51 o   55.309   14.092   7.7143   5.3604   6.7183   8.3321   8.4176   7.0018   54.600   20.635   56.018   19.198 -1.417835 28.18406 
1 1 1   -1   14   52 o  119.423   9.5987   41.655   5.8846   31.403   9.0691   49.110   7.7337  105.412   15.922  133.435   10.726 -28.02272 19.19736 
1 1 1   -1   14   53 o  206.501   8.4724  118.154   8.9569  117.527   11.027  119.369   15.356  206.602   9.8773  206.401   13.768 0.2013397 16.94470 
1 1 1   -1   14   54 o   80.133   18.021   20.231   8.9756   15.203   13.359   24.369   12.118   72.545   26.361   87.721   24.581 -15.17611 36.04284 
1 1 1   -1   14   55 o  182.381   15.772   95.135   15.544   0.0000   0.0000   95.135   15.544  ?   ?   182.381   15.772      ?      ? 
1 1 1   -1   14   56 o  345.188   8.8623  334.206   16.362  343.018   25.108  327.703   21.570  348.211   13.344  342.165   11.666 6.045380 17.72454 
1 1 1   -1   14   57 o   81.964   13.845   20.463   6.6970   9.3284   9.3043   32.432   9.6469   58.708   21.883  105.219   16.967 -46.51146 27.69036 
1 1 1   -1   14   58 o  181.566   7.3772   93.061   7.1304   83.438   10.672  100.821   9.5836  172.398   11.456  190.734   9.2984 -18.33667 14.75448 
1 1 1   -1   14   59 o  177.925   7.4503   89.324   7.0876   84.484   10.640   93.186   9.5033  173.022   11.380  182.829   9.6192 -9.807648 14.90068 
1 1 1   -1   14   60 o  216.420   6.8184  128.016   7.8841  152.771   12.295  110.729   10.274  233.727   9.7352  199.112   9.5493 34.61507 13.63684 
1 1 1   -1   14   61 o  158.926   11.006   71.948   9.4516   0.0000   0.0000   71.948   9.4516  ?   ?   158.926   11.006      ?      ? 
1 1 1   -1   14   62 o  164.979   8.5961   79.425   7.4257   58.618   10.577   99.649   10.428  141.900   13.794  188.058   10.261 -46.15813 17.19211 
1 1 1   -1   14   63 o   98.890   12.925   31.870   6.6472   32.539   9.6246   31.261   9.1915   99.644   18.558   98.135   17.996 1.508629 25.85060 
1 1 1   -1   14   64 o  129.760   9.7661   50.169   6.7957   59.248   10.051   42.524   9.2235  141.069   13.185  118.451   14.410 22.61856 19.53213 
1 1 1   -1   14   65 o   55.524   15.157   9.8859   6.6361   16.006   9.9204   4.9291   8.9276   64.188   22.790   46.861   19.989 17.32688 30.31421 
1 1 1   -1   15    1 o  320.493   6.4887  277.668   11.237   0.0000   0.0000  277.668   11.237  ?   ?   320.493   6.4887      ?      ? 
1 1 1   -1   15    2 o  818.628   11.674  1820.88   44.959  1808.56   88.999  1825.10   52.095  816.073   20.182  821.182   11.740 -5.108154 23.34843 
1 1 1   -1   15    3 o  604.610   7.9094  989.205   25.840  988.288   36.667  990.110   36.420  604.328   11.228  604.892   11.142 -0.5640259 15.81871 
1 1 1   -1   15    4 f  580.590   7.6379  911.435   23.949  929.204   34.574  895.044   33.206  586.018   10.918  575.163   10.684 10.85486 15.27589 
1 1 1   -1   15    7 o  448.220   6.3891  543.275   15.472  544.409   22.073  542.180   21.694  448.677   9.1043  447.763   8.9662 0.9136353 12.77818 
1 1 1   -1   15    9 o  404.890   6.0243  443.219   13.178  445.769   18.824  440.769   18.456  406.029   8.5797  403.750   8.4591 2.279083 12.04858 
1 1 1   -1   15   11 o  525.013   7.0986  745.314   20.136  734.474   28.194  756.599   28.767  521.119   10.012  528.907   10.065 -7.788025 14.19721 
1 1 1   -1   15   12 o  705.026   8.9242  1344.97   33.995  1353.87   48.475  1336.36   47.688  707.314   12.683  702.738   12.558 4.576355 17.84836 
1 1 1   -1   15   13 o  522.393   7.0847  738.010   19.999  733.753   28.242  742.292   28.324  520.881   10.034  523.905   10.005 -3.023376 14.16948 
1 1 1   -1   15   14 o  787.760   13.889  1679.56   59.123   0.0000   0.0000  1679.56   59.123  ?   ?   787.760   13.889      ?      ? 
1 1 1   -1   15   15 o  289.589   5.4991  226.035   8.5882  236.900   12.639  216.717   11.706  296.032   7.9012  283.146   7.6506 12.88632 10.99821 
1 1 1   -1   15   16 o  772.057   13.669  1612.88   57.025   0.0000   0.0000  1612.88   57.025  ?   ?   772.057   13.669      ?      ? 
1 1 1   -1   15   17 o  1436.20   17.225  5598.52  133.676  5580.44  188.488  5616.81  189.611  1433.88   24.327  1438.52   24.393 -4.647095 34.44978 
1 1 1   -1   15   19 o  1377.70   16.542  5151.80  123.146  5132.81  173.526  5171.07  174.789  1375.15   23.352  1380.24   23.435 -5.093750 33.08379 
1 1 1   -1   15   20 f  1015.03   12.405  2791.12   68.038  2784.51   96.165  2797.75   96.275  1013.82   17.554  1016.24   17.532 -2.411682 24.80925 
1 1 1   -1   15   23 o  304.823   5.6704  251.254   9.3346  249.283   13.402  253.112   13.010  303.658   8.1674  305.988   7.8681 -2.330231 11.34077 
1 1 1   -1   15   24 o  542.873   7.3427  795.836   21.521  766.926   29.680  827.886   31.250  532.497   10.315  553.248   10.453 -20.75073 14.68544 
1 1 1   -1   15   25 o  261.853   5.7442  185.581   8.1164  174.517   11.492  196.593   11.465  254.051   8.3710  269.654   7.8681 -15.60243 11.48834 
1 1 1   -1   15   26 o  444.555   6.5255  534.473   15.675  527.357   22.073  541.712   22.263  441.569   9.2509  447.541   9.2059 -5.971649 13.05091 
1 1 1   -1   15   27 o  304.468   8.1460  250.661   13.402   0.0000   0.0000  250.661   13.402  ?   ?   304.468   8.1460      ?      ? 
1 1 1   -1   15   28 o  102.537   11.661   29.997   6.0649   20.945   8.7731   38.283   8.3936   86.163   19.320  118.911   13.063 -32.74853 23.32145 
1 1 1   -1   15   29 o  391.844   6.3202  414.918   13.376  398.981   18.617  431.924   19.231  384.071   8.9704  399.616   8.9057 -15.54492 12.64039 
1 1 1   -1   15   30 o  192.822   7.1386  100.185   7.4159  105.745   11.014   95.573   10.030  197.691   10.310  187.953   9.8759 9.738007 14.27715 
1 1 1   -1   15   31 o  535.354   7.4183  775.681   21.458  767.313   30.451  783.935   30.242  532.478   10.583  538.229   10.398 -5.751709 14.83665 
1 1 1   -1   15   32 o  236.473   9.0709  151.305   11.591   0.0000   0.0000  151.305   11.591  ?   ?   236.473   9.0709      ?      ? 
1 1 1   -1   15   33 o  207.632   8.8847  112.028   9.2044  105.027   10.918  129.234   17.115  196.974   10.257  218.290   14.510 -21.31575 17.76932 
1 1 1   -1   15   34 o  400.230   7.8790  440.819   16.050  412.838   27.362  455.498   19.818  390.208   12.977  410.252   8.9396 -20.04416 15.75805 
1 1 1   -1   15   35 o  585.229   9.6359  937.662   28.853  904.730   49.059  955.076   35.674  576.845   15.739  593.614   11.122 -16.76898 19.27178 
1 1 1   -1   15   36 o  152.749   8.0611   63.572   6.5691   61.211   10.023   65.350   8.6975  150.204   12.349  155.294   10.365 -5.090668 16.12224 
1 1 1   -1   15   37 o  232.039   6.4453  145.153   8.0583  154.824   11.963  137.121   10.903  239.071   9.2604  225.007   8.9672 14.06410 12.89054 
1 1 1   -1   15   38 o  376.737   6.2315  384.642   12.678  381.451   18.200  387.650   17.672  375.198   8.9768  378.275   8.6453 -3.076416 12.46291 
1 1 1   -1   15   39 o  345.899   7.4793  328.005   13.182  314.865   22.571  334.807   16.240  340.311   12.274  351.487   8.5503 -11.17566 14.95858 
1 1 1   -1   15   40 o  611.550   11.333  1022.57   37.448  1004.73   52.857  1040.54   53.064  606.146   16.138  616.954   15.917 -10.80811 22.66638 
1 1 1   -1   15   41 o  261.843   8.0642  188.775   11.272  162.523   16.414  212.207   15.507  244.234   12.437  279.452   10.269 -35.21823 16.12840 
1 1 1   -1   15   42 o  145.674   8.8019   57.767   6.9146   52.834   9.5519   63.198   10.022  139.125   12.706  152.223   12.185 -13.09790 17.60390 
1 1 1   -1   15   43 o  473.934   6.8357  610.632   17.505  601.569   24.762  619.685   24.749  470.396   9.7416  477.472   9.5922 -7.075592 13.67145 
1 1 1   -1   15   44 o  188.419   6.6440   94.887   6.7007  109.592   10.378   84.375   8.7746  200.695   9.5699  176.143   9.2188 24.55241 13.28795 
1 1 1   -1   15   45 o  237.547   8.1711  153.381   10.489   0.0000   0.0000  153.381   10.489  ?   ?   237.547   8.1711      ?      ? 
1 1 1   -1   15   46 o  231.017   6.1523  145.559   7.6476  141.745   11.263  148.822   10.417  228.116   9.1370  233.919   8.2413 -5.802658 12.30463 
1 1 1   -1   15   47 o  158.572   7.3910   67.757   6.2542   74.838   9.8115   62.910   8.1170  165.355   10.981  151.790   9.8961 13.56514 14.78201 
1 1 1   -1   15   48 o  221.395   6.1995  133.661   7.3877  134.659   10.960  132.830   10.001  222.059   9.1335  220.730   8.3852 1.329117 12.39892 
1 1 1   -1   15   49 o  114.774   9.3888   36.315   5.7656   37.592   8.8550   35.375   7.5965  116.345   14.085  113.203   12.418 3.141266 18.77769 
1 1 1   -1   15   50 f  102.001   10.442   29.382   5.6414   27.175   8.6839   30.994   7.4205   98.272   16.353  105.731   12.988 -7.459244 20.88326 
1 1 1   -1   15   51 o   87.312   12.774   21.910   5.7727   26.958   9.0370   18.430   7.5030   95.742   18.131   78.882   18.000 16.86002 25.54858 
1 1 1   -1   15   52 o  148.591   10.858   60.440   8.0645   57.391   9.6183   67.658   14.798  143.615   12.394  153.566   17.833 -9.950836 21.71671 
1 1 1   -1   15   53 o  223.704   9.8965  140.457   11.932  127.658   16.331  155.113   17.476  212.675   14.211  234.733   13.778 -22.05785 19.79309 
1 1 1   -1   15   54 o  148.052   12.531   63.609   9.9989   62.748   14.604   64.369   13.718  146.700   18.423  149.404   16.992 -2.703659 25.06285 
1 1 1   -1   15   55 o  238.183   8.6458  156.282   11.128   0.0000   0.0000  156.282   11.128  ?   ?   238.183   8.6458      ?      ? 
1 1 1   -1   15   56 f  276.799   7.7284  215.550   10.730  210.158   18.936  218.100   13.023  272.453   12.862  281.145   8.5723 -8.692291 15.45681 
1 1 1   -1   15   57 o   74.680   15.708   17.774   6.8145   18.835   9.6861   16.734   9.5888   76.773   22.133   72.588   22.297 4.184311 31.41695 
1 1 1   -1   15   58 o  203.825   7.0529  114.648   7.7220  130.797   11.684  102.125   10.289  216.406   9.9919  191.243   9.9566 25.16222 14.10572 
1 1 1   -1   15   59 o  171.008   8.2514   85.847   7.3160   66.626   11.105  100.584   9.7244  152.115   13.511  189.901   9.4765 -37.78558 16.50283 
1 1 1   -1   15   60 o   84.387   14.295   23.506   6.3899   23.045   9.7954   23.847   8.4308   82.501   21.687   86.274   18.629 -3.772842 28.58960 
1 1 1   -1   15   61 o  115.766   11.263   39.807   7.0281   43.784   10.307   36.351   9.6081  121.284   15.727  110.248   16.128 11.03614 22.52680 
1 1 1   -1   15   62 o  213.752   7.3655  130.010   8.4826  130.548   12.483  129.549   11.563  213.748   10.807  213.757   10.010 -0.8666992E-02 14.73105 
1 1 1   -1   15   63 o  116.678   12.544   46.419   7.0858   29.157   10.496   60.876   9.6053   90.002   21.809  143.355   12.400 -53.35294 25.08784 
1 1 1   -1   15   64 o  201.924   7.5419  119.390   8.1281  111.081   12.181  126.058   10.913  194.232   11.606  209.615   9.6342 -15.38257 15.08381 
1 1 1   -1   16    1 o  175.768   7.5558   83.521   7.1765   0.0000   0.0000   83.521   7.1765  ?   ?   175.768   7.5558      ?      ? 
1 1 1   -1   16    2 o  197.365   6.1664  105.847   5.9009  104.144   11.119  106.515   6.9622  196.220   10.487  198.510   6.4904 -2.290054 12.33283 
1 1 1   -1   16    3 f  141.467   6.7773   56.289   4.7392   48.559   8.3326   59.986   5.7619  133.971   11.510  148.964   7.1581 -14.99374 13.55452 
1 1 1   -1   16    6 o  550.835   7.3916  820.674   22.001  817.002   31.091  824.358   31.138  549.600   10.469  552.070   10.438 -2.470581 14.78326 
1 1 1   -1   16    7 o  233.835   5.7053  147.827   7.1973  147.809   10.481  147.844   9.9011  233.817   8.2952  233.854   7.8352 -0.3643799E-01 11.41056 
1 1 1   -1   16    8 o  594.288   7.8142  955.040   25.090  940.088   35.086  970.687   35.892  589.532   11.014  599.044   11.088 -9.512878 15.62844 
1 1 1   -1   16   13 o  563.502   7.5350  858.695   22.944  855.635   32.496  861.736   32.399  562.500   10.691  564.505   10.621 -2.005249 15.07008 
1 1 1   -1   16   14 o  600.771   7.8950  975.739   25.625  958.625   35.786  993.747   36.709  595.369   11.123  606.173   11.207 -10.80402 15.79002 
1 1 1   -1   16   15 o  277.670   5.5298  208.457   8.2955  204.964   11.777  211.895   11.687  275.359   7.9150  279.980   7.7245 -4.620483 11.05964 
1 1 1   -1   16   16 o  422.344   8.9817  482.266   20.498  482.266   20.498   0.0000   0.0000  422.344   8.9817  ?   ?       ?      ? 
1 1 1   -1   16   17 o  1099.64   13.382  3277.15   79.513  3260.00  112.077  3294.53  112.823  1096.74   18.911  1102.53   18.937 -5.788086 26.76314 
1 1 1   -1   16   19 o  564.101   7.5625  860.616   23.050  860.742   32.796  860.493   32.403  564.138   10.758  564.063   10.631 0.7470703E-01 15.12491 
1 1 1   -1   16   20 o  620.497   8.1164  1041.44   27.213  1032.95   38.357  1050.04   38.616  617.951   11.487  623.044   11.470 -5.092651 16.23281 
1 1 1   -1   16   21 o  518.641   7.1497  726.936   20.029  709.065   27.843  746.103   28.834  512.042   10.063  525.240   10.159 -13.19824 14.29944 
1 1 1   -1   16   22 o  190.813   6.4397   98.544   6.6340   94.901   9.4544  102.077   9.3109  187.332   9.3397  194.294   8.8684 -6.962097 12.87939 
1 1 1   -1   16   23 o  394.052   8.6317  419.888   18.380   0.0000   0.0000  419.888   18.380  ?   ?   394.052   8.6317      ?      ? 
1 1 1   -1   16   24 o  318.758   5.9428  274.752   10.236  271.568   14.438  277.970   14.513  316.900   8.4315  320.616   8.3772 -3.715515 11.88559 
1 1 1   -1   16   25 o  328.803   6.0610  292.422   10.766  288.703   15.342  296.030   15.112  326.739   8.6893  330.867   8.4522 -4.127899 12.12201 
1 1 1   -1   16   26 o  507.894   7.1600  696.876   19.635  674.240   27.122  721.806   28.463  499.243   10.054  516.544   10.197 -17.30096 14.31997 
1 1 1   -1   16   27 o  290.390   6.1719  227.595   9.6709  211.410   13.370  245.357   14.006  279.580   8.8497  301.200   8.6053 -21.62021 12.34378 
1 1 1   -1   16   28 o  260.057   6.4384  183.091   9.0382  174.118   12.818  191.963   12.746  253.707   9.3500  266.407   8.8539 -12.70023 12.87689 
1 1 1   -1   16   29 o  652.452   12.057  1152.53   42.510   0.0000   0.0000  1152.53   42.510  ?   ?   652.452   12.057      ?      ? 
1 1 1   -1   16   30 o  635.493   8.4478  1087.83   28.911  1024.62   38.967  1165.22   43.119  615.099   11.724  655.888   12.166 -40.78857 16.89552 
1 1 1   -1   16   31 o  239.485   9.4393  155.208   12.215   0.0000   0.0000  155.208   12.215  ?   ?   239.485   9.4393      ?      ? 
1 1 1   -1   16   32 o  536.878   15.097  782.207   43.797   0.0000   0.0000  782.207   43.797  ?   ?   536.878   15.097      ?      ? 
1 1 1   -1   16   33 o  171.454   8.0329   79.901   7.4139   76.525   10.829   82.879   10.171  168.008   11.928  174.899   10.762 -6.891113 16.06583 
1 1 1   -1   16   34 o  138.254   10.791   46.698   7.5536   68.288   14.025   37.876   8.9650  158.417   16.383  118.092   14.049 40.32520 21.58203 
1 1 1   -1   16   35 o  630.816   8.3495  1079.46   28.460  1071.61   40.323  1087.25   40.175  628.518   11.873  633.114   11.743 -4.596558 16.69906 
1 1 1   -1   16   36 o   94.352   12.627   24.507   6.2423   33.149   9.3123   17.455   8.4122  110.329   15.620   78.376   19.843 31.95253 25.25346 
1 1 1   -1   16   37 o  132.572   11.447   42.963   7.3323   59.595   14.878   37.628   8.4266  147.530   18.663  117.614   13.259 29.91555 22.89347 
1 1 1   -1   16   38 o  214.319   8.7336  123.117   9.8482  132.680   16.109  117.410   12.445  220.730   13.505  207.908   11.077 12.82285 17.46712 
1 1 1   -1   16   39 f  115.484   14.080   35.959   8.2640   42.252   14.088   32.658   10.204  121.821   22.220  109.148   17.301 12.67258 28.16096 
1 1 1   -1   16   40 o  473.731   8.2403  602.418   20.051  583.949   24.601  638.964   34.605  463.606   9.8200  483.857   13.235 -20.25116 16.48060 
1 1 1   -1   16   41 o  140.925   8.7085   56.197   6.3801   43.814   9.7091   65.608   8.4641  126.527   14.201  155.323   10.084 -28.79572 17.41705 
1 1 1   -1   16   42 o  483.875   6.9669  636.177   18.208  613.427   25.327  660.516   26.196  474.924   9.8688  492.826   9.8367 -17.90207 13.93390 
1 1 1   -1   16   43 o  336.009   6.0655  306.832   10.991  306.976   16.057  306.706   15.077  336.021   8.8432  335.997   8.3041 0.2386475E-01 12.13096 
1 1 1   -1   16   44 f   73.792   13.971   15.725   5.6236   15.853   8.7680   15.634   7.3299   74.067   20.963   73.517   18.474 0.5505981 27.94117 
1 1 1   -1   16   45 o  153.542   7.7705   64.273   6.3866   65.815   9.7711   63.122   8.4387  155.031   11.664  152.054   10.270 2.977417 15.54110 
1 1 1   -1   16   46 o   87.895   12.709   23.619   5.7971   15.036   9.0407   29.613   7.5546   72.138   21.544  103.651   13.488 -31.51307 25.41786 
1 1 1   -1   16   47 o   62.523   13.548   10.657   5.6826   1.7713   8.5888   17.576   7.5784   47.558   19.911   77.489   18.377 -29.93167 27.09584 
1 1 1   -1   16   48 o  252.280   6.1308  172.747   8.3025  182.558   12.615  165.249   11.028  258.448   9.0326  246.112   8.2921 12.33592 12.26157 
1 1 1   -1   16   49 o  165.882   7.4352   75.489   6.5780   76.552   10.181   74.728   8.6182  166.661   11.305  165.102   9.6600 1.558685 14.87031 
1 1 1   -1   16   50 o  163.370   7.4363   74.210   6.4778   68.864   9.7738   78.399   8.6507  157.773   11.464  168.968   9.4745 -11.19568 14.87264 
1 1 1   -1   16   51 f  278.939   7.9713  213.719   11.155  210.816   13.444  220.135   19.986  277.159   8.9766  280.718   13.175 -3.559082 15.94257 
1 1 1   -1   16   52 o  251.264   9.5394  175.440   12.878  155.113   17.216  201.261   19.404  234.873   13.565  267.655   13.416 -32.78165 19.07880 
1 1 1   -1   16   53 f  205.223   10.676  119.880   11.776  135.721   16.881  104.865   16.436  218.990   14.265  191.455   15.887 27.53549 21.35152 
1 1 1   -1   16   54 f  154.554   11.403   77.094   7.9614   51.239   14.515   88.220   9.5216  130.673   20.556  178.435   9.8751 -47.76228 22.80508 
1 1 1   -1   16   55 o  172.038   8.0738   85.296   7.2711   69.124   10.988   97.895   9.6984  156.181   13.019  187.895   9.5521 -31.71362 16.14753 
1 1 1   -1   16   56 o  196.179   9.3908  111.404   8.6845  104.955   16.742  113.778   10.158  189.722   16.331  202.637   9.2770 -12.91539 18.78164 
1 1 1   -1   16   57 o   80.493   14.489   19.879   6.3395   26.986   9.8916   14.925   8.2585   92.368   20.366   68.617   20.613 23.75032 28.97705 
1 1 1   -1   16   58 o   88.058   14.593   24.775   7.2458   34.760   10.362   15.223   10.136  107.494   17.840   68.622   23.099 38.87218 29.18618 
1 1 1   -1   16   59 o  364.473   6.6100  370.892   12.966  394.887   19.414  351.568   17.422  374.703   9.5881  354.244   9.1015 20.45883 13.22004 
1 1 1   -1   16   60 o   88.376   15.158   25.577   7.1871   31.052   10.717   21.101   9.6890   97.448   20.973   79.305   21.892 18.14288 30.31688 
1 1 1   -1   16   61 o  173.224   8.2136   86.223   7.6526   84.902   11.315   87.338   10.389  171.464   12.212  174.983   10.988 -3.518509 16.42722 
1 1 1   -1   16   62 o  156.086   8.9520   73.074   7.5067   69.402   11.006   76.268   10.265  151.443   13.449  160.730   11.819 -9.287033 17.90404 
1 1 1   -1   16   63 o  155.854   9.0976   73.034   7.5475   67.735   11.382   77.194   10.083  149.276   14.110  162.431   11.488 -13.15486 18.19522 
1 1 1   -1   17    1 o  625.256   9.4166  1057.06   31.816   0.0000   0.0000  1057.06   31.816  ?   ?   625.256   9.4166      ?      ? 
1 1 1   -1   17    2 o  1131.08   15.821  3463.82   96.698   0.0000   0.0000  3463.82   96.698  ?   ?   1131.08   15.821      ?      ? 
1 1 1   -1   17    3 o  714.528   10.995  1392.19   40.488  1348.42   67.891  1416.34   50.440  705.526   17.808  723.529   12.901 -18.00232 21.98991 
1 1 1   -1   17    4 o  954.170   11.723  2464.09   60.418  2421.42   84.026  2509.77   86.934  945.638   16.444  962.701   16.711 -17.06244 23.44505 
1 1 1   -1   17    7 o  596.678   7.8971  962.518   25.457  946.903   35.558  978.937   36.462  591.717   11.121  601.638   11.215 -9.920532 15.79420 
1 1 1   -1   17   12 o  199.429   6.0759  107.521   6.5436  107.631   9.4254  107.418   9.0917  199.525   8.7420  199.332   8.4407 0.1929779 12.15188 
1 1 1   -1   17   13 o  543.975   7.3753  800.027   21.672  808.123   31.133  792.417   30.185  546.639   10.540  541.311   10.319 5.327515 14.75063 
1 1 1   -1   17   14 o  348.671   5.9072  328.535   11.117  331.342   16.139  326.001   15.336  350.083   8.5315  347.259   8.1729 2.823730 11.81449 
1 1 1   -1   17   16 o  337.942   5.9763  308.496   10.904  314.622   15.817  302.948   15.052  341.133   8.5805  334.751   8.3210 6.382355 11.95260 
1 1 1   -1   17   17 o  539.827   10.415  788.117   30.380   0.0000   0.0000  788.117   30.380  ?   ?   539.827   10.415      ?      ? 
1 1 1   -1   17   18 o  306.172   5.9805  253.403   9.8928  246.728   13.902  260.251   14.080  302.087   8.5166  310.258   8.3986 -8.171204 11.96110 
1 1 1   -1   17   19 o  373.551   6.1208  377.328   12.354  375.354   17.581  379.253   17.362  372.584   8.7324  374.519   8.5792 -1.935242 12.24158 
1 1 1   -1   17   20 o  163.590   7.5349   72.484   6.6487   67.492   9.4052   77.471   9.4002  157.945   11.020  169.234   10.279 -11.28853 15.06978 
1 1 1   -1   17   21 f  251.438   6.1633  170.990   8.3723  167.071   11.842  174.908   11.839  248.554   8.8166  254.322   8.6147 -5.767990 12.32661 
1 1 1   -1   17   22 o  926.273   11.498  2322.58   57.497  2259.53   79.266  2392.58   83.527  913.060   16.066  939.486   16.453 -26.42615 22.99595 
1 1 1   -1   17   23 o  276.249   6.3454  206.582   9.4619  200.727   13.574  212.117   13.197  272.430   9.2204  280.068   8.7200 -7.638000 12.69074 
1 1 1   -1   17   24 o  483.149   7.0395  630.973   18.371  611.327   25.568  651.943   26.415  475.380   9.9532  490.918   9.9575 -15.53775 14.07896 
1 1 1   -1   17   25 o  106.947   17.610   31.032   10.177   31.032   10.177   0.0000   0.0000  106.947   17.610  ?   ?       ?      ? 
1 1 1   -1   17   26 o  548.594   7.6339  813.968   22.623  794.601   31.538  834.498   32.471  541.877   10.771  555.310   10.821 -13.43323 15.26776 
1 1 1   -1   17   27 o  1088.90   13.319  3215.94   78.301  3133.47  107.980  3307.39  113.709  1074.27   18.601  1103.54   19.069 -29.27136 26.63873 
1 1 1   -1   17   28 o  546.967   10.679  809.875   31.562   0.0000   0.0000  809.875   31.562  ?   ?   546.967   10.679      ?      ? 
1 1 1   -1   17   29 o  306.396   6.3767  253.653   10.540  260.068   15.429  248.040   14.433  310.013   9.2103  302.779   8.8215 7.234436 12.75341 
1 1 1   -1   17   30 o  220.950   9.5187  132.126   11.365   0.0000   0.0000  132.126   11.365  ?   ?   220.950   9.5187      ?      ? 
1 1 1   -1   17   31 o  286.545   8.0498  219.736   11.632  214.968   14.038  230.180   20.775  281.795   9.2192  291.296   13.199 -9.501312 16.09959 
1 1 1   -1   17   32 o  309.442   8.8369  259.241   14.776   0.0000   0.0000  259.241   14.776  ?   ?   309.442   8.8369      ?      ? 
1 1 1   -1   17   33 o  672.539   10.768  1233.39   36.847  1219.59   63.755  1240.31   45.152  668.972   17.637  676.106   12.359 -7.133728 21.53568 
1 1 1   -1   17   34 o  378.517   6.4312  388.481   13.136  379.328   18.949  396.950   18.226  374.191   9.3714  382.844   8.8102 -8.652985 12.86242 
1 1 1   -1   17   35 o  451.594   8.4692  559.444   19.402  537.387   33.516  570.561   23.795  444.415   13.956  458.774   9.5983 -14.35941 16.93843 
1 1 1   -1   17   36 o  119.777   14.468   41.216   8.6259   36.441   14.347   43.919   10.795  112.709   24.275  126.846   15.749 -14.13747 28.93595 
1 1 1   -1   17   37 o  443.233   9.3546  533.654   22.281  547.973   33.501  522.297   29.836  448.387   13.827  438.078   12.604 10.30841 18.70920 
1 1 1   -1   17   38 o  340.597   7.3496  308.282   13.065  290.052   16.265  341.441   21.936  326.922   9.2069  354.272   11.459 -27.34976 14.69919 
1 1 1   -1   17   39 o  324.339   6.1491  285.254   10.749  289.673   15.831  281.473   14.642  326.618   8.9699  322.059   8.4135 4.559631 12.29821 
1 1 1   -1   17   40 o  304.246   6.1607  252.171   10.089  238.875   14.681  264.069   13.888  296.543   9.1619  311.950   8.2387 -15.40646 12.32140 
1 1 1   -1   17   41 o  189.913   7.2784   99.725   7.3469   86.386   10.928  110.727   9.9244  177.986   11.362  201.840   9.0993 -23.85475 14.55686 
1 1 1   -1   17   42 o  215.126   6.4466  126.177   7.4372  123.747   11.168  128.113   9.9691  213.163   9.6960  217.090   8.4982 -3.927094 12.89312 
1 1 1   -1   17   43 o  245.445   6.3093  164.892   8.3213  150.486   12.040  178.066   11.514  235.007   9.4810  255.883   8.3270 -20.87613 12.61858 
1 1 1   -1   17   44 o  277.726   6.1136  209.423   9.1225  215.066   13.730  204.962   12.206  280.969   9.0432  274.484   8.2296 6.485229 12.22726 
1 1 1   -1   17   45 o  132.145   9.0389   48.674   6.3093   44.850   9.7936   51.387   8.2491  127.359   14.231  136.931   11.149 -9.571930 18.07773 
1 1 1   -1   17   46 o  260.151   6.2040  185.388   8.6879  174.602   12.603  195.154   11.993  252.775   9.2272  267.527   8.2957 -14.75223 12.40804 
1 1 1   -1   17   47 o  175.022   7.4763   85.544   6.9062   76.055   10.615   92.508   9.0939  166.112   11.826  183.932   9.1497 -17.81955 14.95254 
1 1 1   -1   17   48 o  218.481   6.4283  131.068   7.5137  127.820   11.379  133.578   10.005  215.856   9.7553  221.105   8.3741 -5.248520 12.85659 
1 1 1   -1   17   49 f  240.667   6.3895  159.071   8.2591  156.679   12.325  161.021   11.127  238.814   9.5505  242.520   8.4907 -3.706894 12.77909 
1 1 1   -1   17   50 o   80.564   17.870   19.839   9.2847   28.221   12.623   9.9595   13.704   94.964   24.452   66.164   26.067 28.79999 35.74037 
1 1 1   -1   17   51 o   91.814   18.152   26.781   9.3468   23.896   12.651   30.248   13.870   86.634   25.387   96.995   25.953 -10.36111 36.30499 
1 1 1   -1   17   52 o   90.945   18.147   26.717   9.2994   27.095   12.722   26.284   13.627   91.912   24.968   89.979   26.342 1.932678 36.29483 
1 1 1   -1   17   53 o   43.174   13.409  -0.4775   5.9430  -1.2063   9.3505   0.0165   7.6979   44.400   19.667   41.947   18.231 2.453671 26.81729 
1 1 1   -1   17   54 o  211.630   6.9690  124.332   7.9268  125.188   11.850  123.639   10.664  211.994   10.345  211.265   9.3412 0.7287598 13.93799 
1 1 1   -1   17   55 o  112.569   10.920   36.642   6.5940   36.822   9.9316   36.500   8.8180  112.362   16.357  112.775   14.470 -0.4135361 21.83900 
1 1 1   -1   17   56 o  116.307   11.612   41.425   6.8133   32.484   10.276   48.440   9.1016  102.308   19.295  130.305   12.926 -27.99686 23.22464 
1 1 1   -1   17   57 o   77.506   17.535   18.168   7.3879   26.059   15.117   15.692   8.4681   85.129   28.202   69.882   20.846 15.24736 35.07023 
1 1 1   -1   17   58 o   73.240   16.315   18.130   7.3625   13.184   10.007   23.964   10.870   63.502   22.853   82.978   23.291 -19.47543 32.63012 
1 1 1   -1   17   59 o  131.067   16.889   51.914   11.961   0.0000   0.0000   51.914   11.961  ?   ?   131.067   16.889      ?      ? 
1 1 1   -1   17   60 o  223.746   7.3051  142.490   8.7805  131.069   12.738  152.830   12.120  214.481   10.991  233.011   9.6257 -18.52974 14.61014 
1 1 1   -1   17   61 o   40.985   13.282  -1.3825   6.6675  -3.2718   9.9431   0.1611   8.9876   40.242   18.746   41.728   18.821 -1.485523 26.56394 
1 1 1   -1   17   62 o   55.528   15.367   9.8329   6.7993   7.0371   10.283   12.005   9.0634   52.093   21.797   58.963   21.669 -6.869236 30.73477 
1 1 1   -1   18    1 o  784.724   9.9270  1665.12   42.094   0.0000   0.0000  1665.12   42.094  ?   ?   784.724   9.9270      ?      ? 
1 1 1   -1   18    2 o  372.549   8.3312  375.212   16.772   0.0000   0.0000  375.212   16.772  ?   ?   372.549   8.3312      ?      ? 
1 1 1   -1   18    3 o  206.972   6.5655  108.585   6.4724  131.306   13.146  101.314   7.4362  220.339   11.041  193.604   7.1080 26.73561 13.13109 
1 1 1   -1   18    4 o  467.623   7.5734  592.101   16.885  589.865   32.784  592.909   19.699  466.915   12.994  468.332   7.7839 -1.417175 15.14673 
1 1 1   -1   18    5 o  690.854   8.9431  1291.15   33.380  1298.51   47.705  1284.08   46.723  692.776   12.743  688.931   12.551 3.844543 17.88620 
1 1 1   -1   18    6 o  905.807   11.207  2221.35   54.851  2202.42   76.949  2240.91   78.209  901.891   15.789  909.724   15.910 -7.832275 22.41460 
1 1 1   -1   18    8 o  1050.98   12.830  2992.90   72.862  2986.96  102.910  2998.88  103.175  1049.94   18.139  1052.03   18.149 -2.091064 25.65953 
1 1 1   -1   18    9 o  835.074   10.423  1887.58   47.033  1874.46   66.161  1900.99   66.874  832.142   14.714  838.006   14.768 -5.863586 20.84668 
1 1 1   -1   18   10 o  850.592   10.632  1956.92   48.835  1912.03   67.611  2005.89   70.613  840.417   14.888  860.766   15.181 -20.34833 21.26321 
1 1 1   -1   18   11 o  543.746   7.4809  799.106   21.973  781.170   30.572  818.269   31.601  537.442   10.527  550.050   10.632 -12.60864 14.96184 
1 1 1   -1   18   13 o  468.075   6.8520  591.958   17.323  576.058   24.055  609.086   24.967  461.554   9.6450  474.597   9.7353 -13.04309 13.70407 
1 1 1   -1   18   14 o  1021.94   12.509  2829.37   69.069  2798.77   96.692  2861.25   98.695  1016.31   17.607  1027.56   17.775 -11.25336 25.01855 
1 1 1   -1   18   15 f  911.417   16.011  2250.01   78.853   0.0000   0.0000  2250.01   78.853  ?   ?   911.417   16.011      ?      ? 
1 1 1   -1   18   16 o  423.405   6.5867  484.781   15.068  472.906   21.225  496.847   21.394  418.175   9.3928  428.636   9.2366 -10.46103 13.17345 
1 1 1   -1   18   17 o  556.264   10.721  837.111   32.225   0.0000   0.0000  837.111   32.225  ?   ?   556.264   10.721      ?      ? 
1 1 1   -1   18   18 o  175.535   10.597   83.362   10.052   0.0000   0.0000   83.362   10.052  ?   ?   175.535   10.597      ?      ? 
1 1 1   -1   18   19 o  223.648   6.6220  134.436   7.9773  122.381   10.813  148.836   11.818  212.713   9.4069  234.583   9.3228 -21.86993 13.24404 
1 1 1   -1   18   20 o  269.287   6.4516  195.620   9.3748  205.700   13.708  186.764   12.849  275.784   9.1987  262.789   9.0486 12.99573 12.90322 
1 1 1   -1   18   21 o  1234.51   14.972  4133.67   99.757  4017.66  137.082  4264.26  145.443  1216.23   20.858  1252.80   21.484 -36.56946 29.94411 
1 1 1   -1   18   22 o  531.094   7.4913  761.977   21.479  734.892   29.609  792.060   31.206  521.155   10.514  541.034   10.674 -19.87903 14.98269 
1 1 1   -1   18   23 o  186.291   8.0872   94.295   8.1058   88.926   11.809   99.079   11.146  181.238   12.058  191.344   10.780 -10.10536 16.17450 
1 1 1   -1   18   24 o  351.454   6.5664  334.143   12.470  331.297   17.674  336.965   17.596  349.961   9.3460  352.947   9.2261 -2.986511 13.13272 
1 1 1   -1   18   25 o  820.011   10.339  1820.44   45.776  1773.01   63.195  1872.80   66.398  808.815   14.459  831.207   14.783 -22.39197 20.67846 
1 1 1   -1   18   26 o  159.271   12.686   68.731   10.919   0.0000   0.0000   68.731   10.919  ?   ?   159.271   12.686      ?      ? 
1 1 1   -1   18   27 o  370.219   6.5495  370.784   13.097  355.249   18.360  386.877   18.687  362.320   9.3778  378.119   9.1456 -15.79962 13.09904 
1 1 1   -1   18   28 o  587.475   11.201  934.713   35.557   0.0000   0.0000  934.713   35.557  ?   ?   587.475   11.201      ?      ? 
1 1 1   -1   18   29 o  207.846   7.4436  117.779   8.3055  106.345   12.028  128.198   11.482  198.105   11.236  217.587   9.7657 -19.48210 14.88710 
1 1 1   -1   18   30 o  294.337   13.189  235.135   20.977   0.0000   0.0000  235.135   20.977  ?   ?   294.337   13.189      ?      ? 
1 1 1   -1   18   31 o  321.826   7.9582  275.563   12.936  266.518   15.598  295.496   23.155  313.709   9.2012  329.942   12.987 -16.23300 15.91631 
1 1 1   -1   18   32 o  224.241   8.8469  138.117   9.6076  132.815   18.019  140.223   11.357  220.959   15.091  227.523   9.2372 -6.563278 17.69372 
1 1 1   -1   18   33 o  296.882   9.2947  241.971   14.715  221.914   22.124  257.883   19.706  285.570   14.337  308.194   11.833 -22.62424 18.58937 
1 1 1   -1   18   34 o  159.958   12.458   70.658   10.347   67.500   16.981   72.523   13.049  156.799   20.041  163.118   14.805 -6.319092 24.91647 
1 1 1   -1   18   35 o  169.266   11.781   80.527   10.102   71.757   17.105   85.225   12.519  161.598   19.589  176.933   13.094 -15.33510 23.56202 
1 1 1   -1   18   36 o  277.430   8.6192  208.721   12.921   0.0000   0.0000  208.721   12.921  ?   ?   277.430   8.6192      ?      ? 
1 1 1   -1   18   37 o  109.092   11.132   32.986   6.4255   30.635   9.9556   34.664   8.4123  105.545   17.456  112.640   13.821 -7.094696 22.26485 
1 1 1   -1   18   38 o  158.580   8.4558   70.243   7.0648   57.717   10.580   80.323   9.4908  145.314   13.474  171.846   10.221 -26.53236 16.91164 
1 1 1   -1   18   39 o   92.347   12.909   25.573   6.1524   16.496   9.4155   32.337   8.1275   75.988   21.797  108.706   13.836 -32.71780 25.81742 
1 1 1   -1   18   40 o  312.330   8.4095  265.016   14.193   0.0000   0.0000  265.016   14.193  ?   ?   312.330   8.4095      ?      ? 
1 1 1   -1   18   41 o   93.734   12.857   26.388   6.2283   16.400   9.2907   34.542   8.3938   75.366   21.662  112.102   13.857 -36.73537 25.71436 
1 1 1   -1   18   42 o  352.431   6.2481  338.673   11.879  323.777   17.028  352.797   16.581  344.776   9.1399  360.086   8.5215 -15.30927 12.49613 
1 1 1   -1   18   43 o  184.359   7.1785   92.459   7.0751   95.330   10.897   90.366   9.3023  186.693   10.802  182.026   9.4573 4.667175 14.35699 
1 1 1   -1   18   44 o  203.049   6.7577  111.600   7.3236  119.166   11.426  106.324   9.5409  208.696   10.132  197.403   8.9444 11.29294 13.51542 
1 1 1   -1   18   45 o  184.046   7.1572   92.700   7.0435   93.535   10.786   92.080   9.3002  184.587   10.814  183.505   9.3790 1.082153 14.31447 
1 1 1   -1   18   46 o  225.839   6.3996  139.689   7.7614  137.376   11.586  141.572   10.454  223.980   9.5724  227.697   8.4963 -3.717407 12.79919 
1 1 1   -1   18   47 o  155.180   7.9044   66.457   6.5681   66.251   9.9678   66.615   8.7317  154.749   11.920  155.612   10.384 -0.8635559 15.80887 
1 1 1   -1   18   48 o   83.132   17.405   19.349   7.9257   15.406   9.5255   28.221   14.289   71.811   22.251   94.454   26.770 -22.64244 34.80994 
1 1 1   -1   18   49 o  102.233   17.555   32.514   9.5270   29.955   12.569   35.968   14.606   97.923   23.952  106.542   25.672 -8.618958 35.11042 
1 1 1   -1   18   50 o  317.101   9.2740  282.078   15.872  281.757   21.920  282.432   23.013  317.199   12.788  317.002   13.434 0.1968079 18.54798 
1 1 1   -1   18   51 o  206.591   8.5496  120.637   8.7546  115.991   15.717  122.728   10.541  202.216   14.383  210.966   9.2470 -8.749710 17.09922 
1 1 1   -1   18   52 o  114.877   12.095   43.289   6.4673   23.409   10.046   57.357   8.4513   86.308   21.594  143.446   10.903 -57.13799 24.19077 
1 1 1   -1   18   53 o  208.314   6.9416  121.245   7.7389  114.724   11.581  126.507   10.403  202.768   10.569  213.860   9.0018 -11.09198 13.88323 
1 1 1   -1   18   54 o  146.190   8.7147   60.517   6.8011   59.148   10.375   61.548   9.0060  144.209   13.314  148.171   11.248 -3.962082 17.42934 
1 1 1   -1   18   55 o  130.573   9.7295   49.442   6.7657   45.843   10.216   52.253   9.0296  125.524   15.061  135.623   12.321 -10.09937 19.45908 
1 1 1   -1   18   56 o  149.589   9.0139   62.075   7.1654   80.127   11.212   49.611   9.3164  167.666   12.375  131.512   13.110 36.15424 18.02773 
1 1 1   -1   18   57 o   63.545   16.406   13.580   7.6338   3.1982   15.398   16.963   8.7902   56.035   25.004   71.055   21.249 -15.02006 32.81296 
1 1 1   -1   18   58 o   33.171   11.744 -20.3298   7.2102 -22.0293   13.836 -19.6962   8.4480   38.508   18.946   27.835   13.884 10.67251 23.48894 
1 1 1   -1   18   59 o   48.561   14.860   2.6918   7.1502   1.3634   9.7000   4.2725   10.581   46.181   20.259   50.941   21.746 -4.759232 29.72096 
1 1 1   -1   18   60 o   49.168   14.600   4.1905   6.8140   12.392   10.345  -2.0954   9.0565   58.695   22.784   39.640   18.264 19.05512 29.20082 
1 1 1   -1   18   61 o  102.523   13.544   34.403   7.2821   43.802   10.978   27.017   9.7311  117.133   17.345   87.914   20.808 29.21931 27.08871 
1 1 1   -1   19    1 o  638.448   11.648  1102.63   40.183   0.0000   0.0000  1102.63   40.183  ?   ?   638.448   11.648      ?      ? 
1 1 1   -1   19    2 o  510.100   7.2158  703.347   19.890   0.0000   0.0000  703.347   19.890  ?   ?   510.100   7.2158      ?      ? 
1 1 1   -1   19    3 o  607.979   9.7157  996.535   29.961  1011.49   52.532  989.327   36.474  611.173   15.906  604.785   11.161 6.387878 19.43131 
1 1 1   -1   19    4 o  471.891   8.1619  601.232   19.542  605.631   34.180  599.096   23.819  473.075   13.371  470.706   9.3644 2.368683 16.32390 
1 1 1   -1   19    5 o  231.043   6.3575  144.397   7.9333  139.924   11.260  148.806   11.179  227.486   9.1599  234.601   8.8185 -7.115616 12.71492 
1 1 1   -1   19    8 o  502.940   7.2037  684.086   19.577  683.616   27.807  684.549   27.566  502.766   10.235  503.113   10.140 -0.3472900 14.40746 
1 1 1   -1   19    9 o  223.836   6.7386  135.024   8.1325  123.329   11.170  148.214   11.863  213.555   9.6799  234.117   9.3772 -20.56241 13.47714 
1 1 1   -1   19   11 o  841.873   10.555  1916.58   47.967  1861.74   66.044  1977.79   69.781  829.171   14.740  854.575   15.111 -25.40338 21.10969 
1 1 1   -1   19   12 o  340.650   6.3278  312.731   11.627  295.574   15.877  332.572   17.074  330.612   8.8872  350.689   9.0102 -20.07794 12.65568 
1 1 1   -1   19   14 o  451.609   6.8459  551.568   16.702  555.355   23.944  547.979   23.309  453.114   9.7790  450.105   9.5833 3.008911 13.69186 
1 1 1   -1   19   15 o  393.148   6.6099  418.085   14.040  416.157   20.001  419.957   19.714  392.251   9.4362  394.046   9.2585 -1.794617 13.21971 
1 1 1   -1   19   17 o  1293.15   15.665  4539.08  109.359  4425.60  150.795  4664.98  158.833  1276.22   21.866  1310.08   22.436 -33.86401 31.32928 
1 1 1   -1   19   19 o  540.089   7.6351  789.211   22.281  775.583   31.300  803.211   31.724  535.362   10.819  544.817   10.776 -9.455139 15.27027 
1 1 1   -1   19   20 o  801.301   14.359  1739.72   62.172   0.0000   0.0000  1739.72   62.172  ?   ?   801.301   14.359      ?      ? 
1 1 1   -1   19   21 f  264.442   6.9886  189.307   9.9794  181.977   14.158  196.544   14.068  259.344   10.103  269.540   9.6589 -10.19617 13.97722 
1 1 1   -1   19   22 o  394.892   6.7222  421.045   14.330  402.380   19.743  441.824   20.831  385.663   9.4737  404.121   9.5394 -18.45737 13.44438 
1 1 1   -1   19   24 o  738.000   9.5542  1475.48   38.086  1444.24   52.966  1508.94   54.805  729.930   13.429  746.071   13.594 -16.14148 19.10835 
1 1 1   -1   19   26 o  196.255   10.875  104.313   11.533   0.0000   0.0000  104.313   11.533  ?   ?   196.255   10.875      ?      ? 
1 1 1   -1   19   27 o  162.349   8.9117   71.718   7.7891   68.045   11.327   75.014   10.729  158.360   13.236  166.337   11.936 -7.976898 17.82331 
1 1 1   -1   19   29 o  473.537   8.8177  606.860   21.253  603.685   25.977  613.288   36.959  472.008   10.185  475.065   14.397 -3.056885 17.63539 
1 1 1   -1   19   30 o  349.315   10.310  312.273   18.849  233.333   23.720  447.522   31.048  292.877   14.988  405.754   14.160 -112.8764 20.61919 
1 1 1   -1   19   31 o  185.792   14.438   93.941   14.495   0.0000   0.0000   93.941   14.495  ?   ?   185.792   14.438      ?      ? 
1 1 1   -1   19   32 o  635.765   12.157  1104.45   41.746  1060.58   58.416  1150.22   59.680  622.799   17.358  648.731   17.025 -25.93207 24.31318 
1 1 1   -1   19   33 o   84.209   15.664   17.076   8.0688   4.3617   10.457   35.788   12.686   56.292   22.575  112.125   21.722 -55.83265 31.32855 
1 1 1   -1   19   34 o  208.724   9.7448  118.251   10.991   0.0000   0.0000  118.251   10.991  ?   ?   208.724   9.7448      ?      ? 
1 1 1   -1   19   35 o  271.909   6.5243  201.549   9.5419  189.295   13.902  212.465   13.121  263.986   9.7452  279.831   8.6772 -15.84448 13.04854 
1 1 1   -1   19   36 o  121.689   11.502   44.611   6.7244   27.593   10.250   57.468   8.9095   98.132   20.009  145.247   11.352 -47.11522 23.00455 
1 1 1   -1   19   37 f  304.393   6.3411  251.691   10.399  251.096   15.294  252.202   14.183  303.997   9.3104  304.789   8.6113 -0.7922058 12.68221 
1 1 1   -1   19   38 o  276.590   6.3278  208.259   9.4251  203.353   13.821  212.525   12.886  273.465   9.3529  279.715   8.5256 -6.250671 12.65553 
1 1 1   -1   19   39 o   44.119   13.633  -2.1162   6.1460   1.4620   9.4281  -4.7604   8.1047   49.555   20.811   38.682   17.616 10.87242 27.26551 
1 1 1   -1   19   40 o  286.013   6.2220  222.973   9.5883  217.760   14.010  227.566   13.150  282.774   9.1690  289.251   8.4133 -6.477020 12.44407 
1 1 1   -1   19   41 o  302.323   6.1841  249.249   10.073  243.123   14.715  254.650   13.818  298.722   9.1160  305.924   8.3590 -7.202698 12.36830 
1 1 1   -1   19   42 o  311.693   8.6033  264.684   14.490   0.0000   0.0000  264.684   14.490  ?   ?   311.693   8.6033      ?      ? 
1 1 1   -1   19   43 o  165.859   10.299   75.361   9.2307   0.0000   0.0000   75.361   9.2307  ?   ?   165.859   10.299      ?      ? 
1 1 1   -1   19   44 o  197.829   7.0394  105.856   7.4764  120.653   11.369   94.581   9.9241  209.835   10.027  185.822   9.8833 24.01297 14.07884 
1 1 1   -1   19   45 o  252.513   6.3436  174.685   8.6268  170.760   12.646  178.101   11.798  249.714   9.3717  255.311   8.5519 -5.596771 12.68715 
1 1 1   -1   19   46 o  141.336   12.001   55.945   8.5588   54.527   10.351   59.009   15.218  139.743   13.708  142.928   19.703 -3.185181 24.00262 
1 1 1   -1   19   47 o  128.135   14.882   49.934   9.6676   55.360   12.621   42.230   15.039  139.477   16.745  116.793   24.606 22.68488 29.76358 
1 1 1   -1   19   48 o   57.590   16.911   4.5737   8.7924   8.1351   11.943   0.3590   12.992   61.268   24.271   53.912   23.554 7.355663 33.82115 
1 1 1   -1   19   49 o  121.813   14.843   43.690   9.4724   36.577   12.499   53.288   14.518  109.100   21.962  134.526   19.972 -25.42621 29.68506 
1 1 1   -1   19   50 o  160.107   7.9684   71.452   6.7820   71.399   10.569   71.489   8.8428  159.610   12.254  160.605   10.189 -0.9951935 15.93679 
1 1 1   -1   19   51 o   98.181   12.454   27.217   6.3309   37.917   10.230   20.576   8.0597  114.270   16.567   82.093   18.599 32.17701 24.90816 
1 1 1   -1   19   52 o   59.268   15.180   9.1839   6.2376   13.828   9.8498   6.0748   8.0596   67.013   22.770   51.522   20.080 15.49112 30.35973 
1 1 1   -1   19   53 o  278.514   6.5011  214.064   9.7006  221.161   14.810  208.730   12.838  282.142   9.7138  274.886   8.6429 7.255127 13.00218 
1 1 1   -1   19   54 o   80.724   14.613   20.534   6.3684   24.219   9.7560   17.798   8.4064   86.803   21.022   74.644   20.303 12.15955 29.22616 
1 1 1   -1   19   55 o  116.533   11.017   39.817   6.8521   40.883   10.581   39.048   8.9924  117.153   16.714  115.914   14.357 1.238838 22.03355 
1 1 1   -1   19   56 o   58.468   15.546   10.283   6.5833   11.369   10.311   9.5359   8.5536   60.524   22.935   56.413   20.991 4.111115 31.09107 
1 1 1   -1   19   57 o   36.922   17.773 -11.9094   10.468 -11.9094   10.468   0.0000   0.0000   36.922   17.773  ?   ?       ?      ? 
1 1 1   -1   19   58 o   52.615   16.144  -3.0609   7.8935   18.196   15.372 -10.6733   9.1989   70.777   27.691   34.453   16.604 36.32348 32.28748 
1 1 1   -1   19   59 o   62.487   16.384   14.106   7.5131   9.2199   10.174   19.966   11.142   54.191   22.075   70.782   24.217 -16.59124 32.76810 
1 1 1   -1   19   60 o   64.134   16.750   15.228   7.6711   13.685   10.519   16.982   11.212   61.596   23.207   66.672   24.161 -5.075634 33.50093 
1 1 1   -1   20    1 o   99.653   15.366   26.899   8.2744   0.0000   0.0000   26.899   8.2744  ?   ?    99.653   15.366      ?      ? 
1 1 1   -1   20    2 o  260.903   7.4216  184.024   10.463   0.0000   0.0000  184.024   10.463  ?   ?   260.903   7.4216      ?      ? 
1 1 1   -1   20    3 o  341.393   6.3859  315.037   11.781   0.0000   0.0000  315.037   11.781  ?   ?   341.393   6.3859      ?      ? 
1 1 1   -1   20    4 o  427.682   7.4279  487.725   15.027  509.459   29.878  480.366   17.386  433.846   12.745  421.519   7.6331 12.32703 14.85580 
1 1 1   -1   20    5 o  438.502   7.9856  526.409   18.388  492.793   29.209  548.477   23.666  426.687   12.668  450.317   9.7258 -23.62979 15.97128 
1 1 1   -1   20    9 o  447.550   6.9654  541.040   16.833  515.568   23.325  568.720   24.315  436.572   9.8875  458.528   9.8136 -21.95596 13.93089 
1 1 1   -1   20   10 o  541.325   7.7012  792.208   22.514  774.463   31.199  811.489   32.522  535.013   10.792  547.638   10.990 -12.62524 15.40249 
1 1 1   -1   20   14 o  312.093   6.7993  263.422   11.451  264.377   16.645  262.564   15.779  312.621   9.8533  311.566   9.3721 1.055603 13.59866 
1 1 1   -1   20   15 o  235.072   7.2324  149.786   9.1683  140.256   13.058  159.053   12.876  227.670   10.614  242.473   9.8272 -14.80260 14.46479 
1 1 1   -1   20   16 f  499.660   10.424  675.544   28.145   0.0000   0.0000  675.544   28.145  ?   ?   499.660   10.424      ?      ? 
1 1 1   -1   20   17 o  376.954   9.6007  384.400   19.556   0.0000   0.0000  384.400   19.556  ?   ?   376.954   9.6007      ?      ? 
1 1 1   -1   20   18 o  328.613   6.7429  292.171   11.970  283.638   16.908  300.745   16.948  323.797   9.6635  333.430   9.4066 -9.632538 13.48588 
1 1 1   -1   20   20 o  284.380   6.8041  218.920   10.452  215.238   14.904  222.484   14.662  282.019   9.7797  286.741   9.4624 -4.722656 13.60812 
1 1 1   -1   20   21 o  414.286   6.8881  464.384   15.416  448.635   21.616  480.685   21.991  407.134   9.8253  421.438   9.6564 -14.30423 13.77618 
1 1 1   -1   20   23 o  680.857   8.9805  1255.92   33.033  1231.47   46.133  1281.65   47.322  674.064   12.665  687.650   12.735 -13.58606 17.96103 
1 1 1   -1   20   25 o  335.948   9.2864  305.611   16.858   0.0000   0.0000  305.611   16.858  ?   ?   335.948   9.2864      ?      ? 
1 1 1   -1   20   26 o  429.248   6.9318  499.320   16.070  491.560   22.998  506.723   22.463  425.966   9.9916  432.529   9.6108 -6.563171 13.86363 
1 1 1   -1   20   27 o  276.289   9.2684  217.676   12.330  183.559   22.490  232.337   14.743  259.696   16.026  292.881   9.3155 -33.18472 18.53684 
1 1 1   -1   20   28 o  322.347   14.729  282.658   25.656  282.658   25.656   0.0000   0.0000  322.347   14.729  ?   ?       ?      ? 
1 1 1   -1   20   29 o  833.390   21.629  1908.33   97.404  1908.33   97.404   0.0000   0.0000  833.390   21.629  ?   ?       ?      ? 
1 1 1   -1   20   30 o  455.593   13.697  565.090   33.721   0.0000   0.0000  565.090   33.721  ?   ?   455.593   13.697      ?      ? 
1 1 1   -1   20   31 f  553.747   9.4856  824.035   26.384  865.090   47.470  805.682   31.739  562.821   15.608  544.674   10.784 18.14673 18.97120 
1 1 1   -1   20   33 o  135.931   9.8864   49.277   7.1575   62.767   11.044   39.506   9.3986  151.646   13.477  120.216   14.468 31.43069 19.77273 
1 1 1   -1   20   34 o  103.559   12.580   29.589   6.8551   32.754   10.568   27.290   9.0070  108.994   17.944   98.123   17.635 10.87090 25.15941 
1 1 1   -1   20   35 o  146.398   8.9891   58.491   7.0743   58.706   10.562   58.316   9.5271  146.566   13.336  146.230   12.057 0.3355865 17.97822 
1 1 1   -1   20   36 o  297.396   8.6642  240.248   13.924   0.0000   0.0000  240.248   13.924  ?   ?   297.396   8.6642      ?      ? 
1 1 1   -1   20   37 o  441.466   6.8628  530.568   16.363  507.968   22.959  553.901   23.328  431.866   9.8382  451.066   9.5709 -19.20007 13.72562 
1 1 1   -1   20   38 o  309.387   6.3734  260.943   10.639  251.498   15.290  269.805   14.812  303.875   9.3117  314.900   8.7047 -11.02426 12.74671 
1 1 1   -1   20   39 o  187.033   7.4045   93.273   7.3743  109.102   11.715   82.883   9.4908  199.790   10.851  174.275   10.078 25.51587 14.80909 
1 1 1   -1   20   40 o   75.715   14.989   16.486   6.3073   18.418   9.8036   15.122   8.2387   79.266   22.073   72.164   20.284 7.102127 29.97717 
1 1 1   -1   20   41 o  216.344   6.9562  129.491   8.0336  113.309   11.787  143.528   10.978  203.329   10.728  229.360   8.8578 -26.03139 13.91236 
1 1 1   -1   20   42 o  158.597   11.261   69.143   9.6505   0.0000   0.0000   69.143   9.6505  ?   ?   158.597   11.261      ?      ? 
1 1 1   -1   20   43 o  184.816   7.5487   90.835   7.4075  118.098   11.651   72.338   9.5968  207.429   10.395  162.203   10.949 45.22603 15.09733 
1 1 1   -1   20   44 o  317.445   8.2248  275.297   13.198  269.757   15.985  287.162   23.394  313.676   9.4305  321.215   13.478 -7.538788 16.44950 
1 1 1   -1   20   45 o  152.965   12.330   67.244   10.078   70.878   13.552   62.748   15.074  158.334   15.840  147.596   18.901 10.73886 24.66033 
1 1 1   -1   20   46 o  219.708   9.9464  136.111   11.753  146.622   16.348  124.865   16.910  229.016   13.210  210.400   14.873 18.61537 19.89271 
1 1 1   -1   20   47 o  132.939   15.407   56.256   10.145   73.806   13.792   35.563   14.976  160.856   15.867  105.023   26.414 55.83376 30.81303 
1 1 1   -1   20   48 o  172.516   7.9548   84.313   7.2131   74.786   11.194   91.077   9.4327  163.361   12.680  181.671   9.6086 -18.31012 15.90968 
1 1 1   -1   20   49 o  231.304   6.8257  147.384   8.4357  152.256   13.021  143.860   11.074  234.215   10.289  228.393   8.9726 5.822205 13.65147 
1 1 1   -1   20   50 o  248.920   6.5404  171.245   8.6872  172.599   13.399  170.263   11.411  249.312   9.9456  248.528   8.4965 0.7837524 13.08076 
1 1 1   -1   20   51 o  128.039   9.8537   46.226   6.7237   50.728   10.585   43.181   8.7053  132.767   14.755  123.311   13.065 9.455780 19.70746 
1 1 1   -1   20   52 o  117.224   11.687   42.626   6.7307   32.171   10.586   49.721   8.7202  101.786   19.960  132.661   12.165 -30.87473 23.37471 
1 1 1   -1   20   53 o  192.959   7.4440  103.901   7.6910  108.969   11.802  100.160   10.140  196.615   11.108  189.303   9.9124 7.312119 14.88805 
1 1 1   -1   20   54 o   78.923   15.159   19.900   6.6583   26.158   10.270   15.363   8.7450   89.224   21.546   68.623   21.329 20.60131 30.31731 
1 1 1   -1   20   55 o   97.655   13.512   29.109   7.0028   48.897   10.956   15.440   9.1057  127.541   15.897   67.768   21.854 59.77275 27.02464 
1 1 1   -1   20   56 o  111.292   13.267   42.424   7.1835   20.289   10.652   60.885   9.7283   76.934   23.478  145.649   12.361 -68.71505 26.53343 
1 1 1   -1   20   57 o   52.380   14.749   6.5399   6.7392  -0.6295   10.170   12.153   8.9985   44.322   20.004   60.439   21.679 -16.11716 29.49794 
1 1 1   -1   20   58 o  197.805   8.1632  116.224   8.5426  102.705   12.911  126.751   11.393  185.555   12.876  210.055   10.037 -24.50023 16.32640 
1 1 1   -1   20   59 o  100.333   16.955   40.044   8.5561   34.752   17.130   41.802   9.8763   85.298   29.983  115.368   15.842 -30.06939 33.91091 
1 1 1   -1   21    1 o  350.986   9.0793  333.168   17.220   0.0000   0.0000  333.168   17.220  ?   ?   350.986   9.0793      ?      ? 
1 1 1   -1   21    2 o   58.678   20.573   8.2358   8.0627   0.0000   0.0000   8.2358   8.0627  ?   ?    58.678   20.573      ?      ? 
1 1 1   -1   21    3 o  413.513   6.9560  462.261   15.543   0.0000   0.0000  462.261   15.543  ?   ?   413.513   6.9560      ?      ? 
1 1 1   -1   21    4 o  426.511   8.0365  496.161   17.789  477.928   29.324  506.779   22.377  420.166   12.916  432.856   9.5669 -12.69028 16.07308 
1 1 1   -1   21    5 o  327.320   7.2738  298.703   11.554  269.369   21.234  311.041   13.771  315.457   12.457  339.182   7.5138 -23.72455 14.54756 
1 1 1   -1   21    6 o  490.123   8.6835  660.630   22.566  584.234   34.171  719.716   30.051  464.489   13.614  515.756   10.783 -51.26743 17.36704 
1 1 1   -1   21    7 o  276.657   10.050  207.055   15.025   0.0000   0.0000  207.055   15.025  ?   ?   276.657   10.050      ?      ? 
1 1 1   -1   21    8 o  201.771   11.474  110.182   12.510   0.0000   0.0000  110.182   12.510  ?   ?   201.771   11.474      ?      ? 
1 1 1   -1   21    9 f  216.569   7.8797  126.967   9.2138  127.868   12.799  125.997   13.275  217.375   10.896  215.764   11.386 1.611389 15.75942 
1 1 1   -1   21   10 o  389.837   6.8546  410.630   14.420  420.336   21.036  402.026   19.807  394.168   9.8761  385.506   9.5080 8.662018 13.70913 
1 1 1   -1   21   11 o  434.151   7.1258  508.927   16.700  481.710   23.042  539.037   24.237  421.948   10.106  446.353   10.049 -24.40509 14.25156 
1 1 1   -1   21   12 o  393.482   9.6110  418.849   20.435   0.0000   0.0000  418.849   20.435  ?   ?   393.482   9.6110      ?      ? 
1 1 1   -1   21   13 o  516.204   7.6438  721.173   21.319  714.966   30.292  727.266   30.010  513.996   10.906  518.413   10.713 -4.417297 15.28765 
1 1 1   -1   21   14 o  392.464   7.0491  416.819   14.943  401.807   21.091  431.949   21.174  385.358   10.129  399.569   9.8068 -14.21085 14.09821 
1 1 1   -1   21   15 o  108.990   14.254   33.043   8.1787   30.517   11.910   35.296   11.251  103.973   21.891  114.007   18.262 -10.03428 28.50850 
1 1 1   -1   21   17 o  157.339   9.5623   67.202   8.0726   77.780   11.584   57.215   11.256  169.426   12.653  145.252   14.341 24.17415 19.12462 
1 1 1   -1   21   18 o  416.454   6.9530  469.175   15.643  456.331   21.854  482.671   22.401  410.611   9.8493  422.297   9.8168 -11.68677 13.90605 
1 1 1   -1   21   19 o  356.819   6.7308  343.678   12.956  317.499   17.861  372.752   18.822  342.506   9.6504  371.131   9.3854 -28.62515 13.46165 
1 1 1   -1   21   20 o  466.574   7.2338  589.443   18.237  586.204   25.886  592.636   25.697  465.294   10.295  467.853   10.164 -2.558533 14.46757 
1 1 1   -1   21   21 o  250.833   10.166  170.405   13.779   0.0000   0.0000  170.405   13.779  ?   ?   250.833   10.166      ?      ? 
1 1 1   -1   21   23 f  170.859   9.3250   79.669   8.5536   74.577   12.581   84.046   11.664  165.700   14.051  176.017   12.263 -10.31670 18.64997 
1 1 1   -1   21   24 o  372.819   15.004  377.928   30.227  377.928   30.227   0.0000   0.0000  372.819   15.004  ?   ?       ?      ? 
1 1 1   -1   21   25 o   93.410   20.898   21.862   11.714   33.198   19.210   15.151   14.780  107.999   31.179   78.820   27.836 29.17886 41.79676 
1 1 1   -1   21   26 o  228.949   11.529  145.755   13.944  125.631   21.136  161.261   18.554  214.417   18.242  243.480   14.102 -29.06273 23.05756 
1 1 1   -1   21   27 o  569.085   11.678  872.206   35.642  787.162   47.031  986.937   54.627  537.051   16.206  601.120   16.817 -64.06866 23.35526 
1 1 1   -1   21   28 o  602.571   16.705  992.568   54.394   0.0000   0.0000  992.568   54.394  ?   ?   602.571   16.705      ?      ? 
1 1 1   -1   21   29 f  146.904   11.005   56.848   8.4844   67.770   14.186   50.765   10.587  157.377   16.681  136.431   14.360 20.94627 22.01061 
1 1 1   -1   21   30 o  153.528   10.508   59.709   8.3941   86.441   14.278   45.587   10.377  177.879   14.854  129.176   14.866 48.70361 21.01537 
1 1 1   -1   21   31 o  195.521   7.7044  104.572   8.0931   96.334   11.774  111.951   11.143  188.094   11.584  202.948   10.161 -14.85492 15.40873 
1 1 1   -1   21   32 o  422.996   9.4687  486.201   21.643   0.0000   0.0000  486.201   21.643  ?   ?   422.996   9.4687      ?      ? 
1 1 1   -1   21   33 o  211.936   7.3829  123.352   8.3718  111.017   12.319  133.939   11.412  201.872   11.293  222.000   9.5131 -20.12793 14.76585 
1 1 1   -1   21   34 o  203.939   7.5152  114.054   8.2147  105.696   12.133  121.129   11.162  196.868   11.405  211.009   9.7897 -14.14076 15.03040 
1 1 1   -1   21   35 o  151.628   9.0463   63.485   7.3467   55.694   10.613   70.653   10.180  142.458   13.787  160.799   11.716 -18.34132 18.09254 
1 1 1   -1   21   36 o  146.340   9.2019   58.993   7.2339   56.306   10.676   61.273   9.8359  143.107   13.806  149.574   12.169 -6.467514 18.40380 
1 1 1   -1   21   37 o   84.314   14.554   20.438   6.5441   23.874   9.9588   17.826   8.6815   90.411   20.815   78.217   20.347 12.19357 29.10797 
1 1 1   -1   21   38 o  232.761   6.8232  148.014   8.5236  146.059   12.775  149.583   11.443  231.235   10.224  234.287   9.0390 -3.051575 13.64645 
1 1 1   -1   21   39 o  255.093   6.6733  178.307   9.1666  165.368   13.167  190.474   12.769  245.945   9.9076  264.242   8.9427 -18.29694 13.34666 
1 1 1   -1   21   40 o  111.243   11.039   33.829   6.5551   42.134   10.050   27.679   8.6477  122.994   15.122   99.493   16.085 23.50137 22.07715 
1 1 1   -1   21   41 o  133.041   14.378   49.244   10.336   49.244   10.336   0.0000   0.0000  133.041   14.378  ?   ?       ?      ? 
1 1 1   -1   21   42 o  158.899   11.609   70.826   9.8809   68.964   13.068   73.311   15.098  156.854   15.418  160.945   17.360 -4.091370 23.21841 
1 1 1   -1   21   43 o  229.738   9.7174  147.262   11.992  145.743   16.079  149.167   18.002  228.798   13.005  230.677   14.442 -1.878494 19.43479 
1 1 1   -1   21   44 o   67.442   18.091   10.512   9.0314   6.4504   11.691   16.523   14.222   59.075   23.807   75.809   27.248 -16.73395 36.18299 
1 1 1   -1   21   45 o  103.075   17.430   33.332   9.5444   31.486   12.871   35.586   14.226  100.168   24.078  105.982   25.208 -5.814217 34.85911 
1 1 1   -1   21   46 f   71.874   14.886   16.156   6.2584   11.790   10.085   18.891   7.9812   64.692   22.978   79.056   18.933 -14.36377 29.77276 
1 1 1   -1   21   47 o  246.892   6.6528  168.894   8.8030  162.702   13.176  173.886   11.831  242.415   10.058  251.369   8.7103 -8.953537 13.30555 
1 1 1   -1   21   48 o   81.592   14.788   20.468   6.4984   23.482   10.014   18.276   8.5410   86.464   21.519   76.719   20.291 9.744659 29.57644 
1 1 1   -1   21   49 o  126.802   9.8210   45.640   6.6067   47.239   10.439   44.571   8.5330  128.034   15.088  125.569   12.576 2.465416 19.64201 
1 1 1   -1   21   50 o  124.590   10.391   44.666   6.8504   44.402   10.790   44.844   8.8665  123.491   16.170  125.690   13.055 -2.199409 20.78178 
1 1 1   -1   21   51 o  130.086   10.312   51.029   6.8625   39.313   10.684   59.257   8.9536  115.163   17.169  145.009   11.427 -29.84589 20.62352 
1 1 1   -1   21   52 o  136.517   10.392   56.811   7.2101   39.611   10.843   70.447   9.6539  115.079   17.436  157.956   11.310 -42.87677 20.78312 
1 1 1   -1   21   53 f   82.770   15.410   22.168   6.8723   27.882   11.081   18.596   8.7607   90.638   22.680   74.902   20.868 15.73556 30.81983 
1 1 1   -1   21   54 f   46.327   14.372   0.3645   6.7542   5.1478   10.902  -2.6150   8.6044   52.745   22.276   39.910   18.165 12.83524 28.74397 
1 1 1   -1   21   55 o   94.888   14.506   30.555   7.2806   21.636   11.425   36.652   9.4470   78.804   24.361  110.971   15.754 -32.16718 29.01107 
1 1 1   -1   21   56 o   50.910   15.085   6.4274   6.9683   5.1797   10.739   7.3347   9.1580   50.331   21.704   51.489   20.955 -1.158543 30.16925 
1 1 1   -1   21   57 o  130.550   10.621   51.606   7.4531   58.067   11.246   46.546   9.9526  137.660   15.118  123.440   14.921 14.22056 21.24133 
1 1 1   -1   21   58 o   81.472   15.496   24.186   7.0730   32.266   10.777   18.072   9.3746   94.022   21.658   68.922   22.169 25.09949 30.99257 
1 1 1   -1   22    1 o  205.764   11.089  114.585   12.330   0.0000   0.0000  114.585   12.330  ?   ?   205.764   11.089      ?      ? 
1 1 1   -1   22    2 o  399.569   11.050  432.083   23.859   0.0000   0.0000  432.083   23.859  ?   ?   399.569   11.050      ?      ? 
1 1 1   -1   22    3 o  354.242   11.042  339.612   21.137   0.0000   0.0000  339.612   21.137  ?   ?   354.242   11.042      ?      ? 
1 1 1   -1   22    4 o  697.993   9.2987  1317.88   35.072   0.0000   0.0000  1317.88   35.072  ?   ?   697.993   9.2987      ?      ? 
1 1 1   -1   22    5 o  514.329   8.5630  713.073   20.769  722.523   41.179  709.850   24.052  516.352   14.758  512.305   8.6882 4.047363 17.12592 
1 1 1   -1   22    6 o  285.003   7.9234  220.520   11.814  217.117   19.218  222.587   14.978  283.166   12.560  286.839   9.6633 -3.673065 15.84689 
1 1 1   -1   22   12 o  314.514   7.0561  267.817   11.989  262.889   17.045  272.641   16.865  311.642   10.122  317.386   9.8338 -5.744049 14.11215 
1 1 1   -1   22   13 o  351.708   6.9361  334.387   13.166  342.704   19.184  326.981   18.103  355.827   9.9772  347.590   9.6381 8.237061 13.87218 
1 1 1   -1   22   15 o  366.805   9.6705  364.164   19.168   0.0000   0.0000  364.164   19.168  ?   ?   366.805   9.6705      ?      ? 
1 1 1   -1   22   17 o  156.572   9.9915   66.567   8.4502   65.430   12.050   67.667   11.854  155.244   14.364  157.900   13.892 -2.655121 19.98302 
1 1 1   -1   22   18 o  126.360   11.736   43.355   7.9160   53.073   11.557   34.766   10.865  139.739   15.305  112.982   17.796 26.75742 23.47239 
1 1 1   -1   22   19 o  123.621   12.317   41.864   8.1784   38.090   11.844   45.305   11.307  118.197   18.543  129.044   16.215 -10.84702 24.63301 
1 1 1   -1   22   20 o  261.543   16.884  186.261   23.862  186.261   23.862   0.0000   0.0000  261.543   16.884  ?   ?       ?      ? 
1 1 1   -1   22   21 o  510.123   11.050  705.234   30.395  650.676   41.588  767.793   44.533  489.002   15.739  531.244   15.513 -42.24210 22.09911 
1 1 1   -1   22   22 o  220.003   12.316  134.441   14.200  120.833   22.368  143.626   18.377  210.221   19.691  229.785   14.800 -19.56412 24.63298 
1 1 1   -1   22   23 o  167.083   15.168   75.410   13.411   82.477   21.623   70.991   17.097  173.135   23.112  161.030   19.649 12.10457 30.33561 
1 1 1   -1   22   24 o  418.708   8.6549  475.563   18.761  473.512   23.372  479.279   31.456  417.780   10.353  419.636   13.872 -1.855469 17.30975 
1 1 1   -1   22   25 o  618.751   11.875  1040.48   39.705   0.0000   0.0000  1040.48   39.705  ?   ?   618.751   11.875      ?      ? 
1 1 1   -1   22   26 o  342.266   6.8157  317.016   12.589  296.938   17.336  339.415   18.310  330.821   9.6976  353.710   9.5798 -22.88950 13.63144 
1 1 1   -1   22   27 f  501.008   9.0793  686.790   23.549  694.985   29.464  672.297   39.184  505.752   10.781  496.265   14.612 9.486847 18.15856 
1 1 1   -1   22   28 o  470.548   8.6887  600.729   20.818  610.360   36.206  595.972   25.446  472.721   14.174  468.375   10.054 4.346100 17.37738 
1 1 1   -1   22   29 o  104.780   15.155   31.418   8.1455   32.005   12.939   31.034   10.484  105.134   23.380  104.426   19.290 0.7082367 30.31003 
1 1 1   -1   22   30 o  360.464   9.2388  352.979   17.996   0.0000   0.0000  352.979   17.996  ?   ?   360.464   9.2388      ?      ? 
1 1 1   -1   22   31 o  257.125   9.7402  179.752   13.533   0.0000   0.0000  179.752   13.533  ?   ?   257.125   9.7402      ?      ? 
1 1 1   -1   22   32 o   76.603   15.892   15.771   7.2270   23.832   10.988   9.6256   9.5939   90.494   22.552   62.712   22.396 27.78166 31.78362 
1 1 1   -1   22   33 o  264.335   9.1595  190.129   13.083   0.0000   0.0000  190.129   13.083  ?   ?   264.335   9.1595      ?      ? 
1 1 1   -1   22   34 o  225.772   7.3600  140.066   8.9118  123.225   12.795  155.933   12.419  212.333   11.152  239.210   9.6080 -26.87692 14.71992 
1 1 1   -1   22   35 o  103.715   13.218   30.111   7.1897   37.356   10.813   24.370   9.6257  115.897   17.266   91.533   20.018 24.36401 26.43568 
1 1 1   -1   22   36 o   83.503   14.986   19.808   6.8003   26.299   10.461   15.058   8.9490   94.776   20.981   72.231   21.403 22.54446 29.97191 
1 1 1   -1   22   37 o   56.256   15.152   6.3010   6.3972   9.5271   9.7075   3.8245   8.5051   62.000   22.480   50.512   20.323 11.48730 30.30476 
1 1 1   -1   22   38 o  145.121   9.9912   59.017   7.7290   48.755   11.031   68.912   10.832  132.234   15.438  158.008   12.687 -25.77452 19.98232 
1 1 1   -1   22   39 o  263.608   9.4211  192.715   13.390  196.306   18.447  188.716   19.468  266.451   12.812  260.765   13.816 5.686798 18.84226 
1 1 1   -1   22   40 o  289.764   9.3426  232.475   14.564  227.928   19.613  238.063   21.743  286.929   12.650  292.599   13.752 -5.669983 18.68518 
1 1 1   -1   22   41 o   81.003   18.762   18.219   9.5316   11.773   12.229   28.198   15.215   67.551   25.106   94.454   27.887 -26.90331 37.52303 
1 1 1   -1   22   42 o  234.530   10.016  153.543   12.582  149.369   16.637  159.122   19.233  231.319   13.310  237.741   14.971 -6.421570 20.03179 
1 1 1   -1   22   43 o  306.426   7.8476  265.187   12.210  244.369   20.752  276.210   15.101  295.644   12.990  317.208   8.8097 -21.56372 15.69528 
1 1 1   -1   22   44 o   40.429   13.032  -4.9410   6.1865  -0.9250   9.7386  -7.6582   8.0105   45.960   20.227   34.899   16.438 11.06038 26.06440 
1 1 1   -1   22   45 o  204.319   9.4660  115.159   10.451   0.0000   0.0000  115.159   10.451  ?   ?   204.319   9.4660      ?      ? 
1 1 1   -1   22   46 o  276.000   6.6108  211.074   9.7963  204.580   14.568  216.434   13.236  271.728   9.9214  280.272   8.7395 -8.543762 13.22167 
1 1 1   -1   22   47 o   43.920   13.727  -1.1164   6.4786  -5.3492   10.163   1.7807   8.4083   42.046   19.363   45.794   19.463 -3.747414 27.45439 
1 1 1   -1   22   48 o  170.383   8.1106   82.302   7.3289   76.785   11.265   86.351   9.6502  164.679   12.660  176.086   10.142 -11.40620 16.22119 
1 1 1   -1   22   49 o   63.229   15.268   10.514   6.4080   18.662   10.268   5.3158   8.2012   76.043   23.016   50.415   20.068 25.62840 30.53632 
1 1 1   -1   22   50 o   82.763   15.180   21.670   6.8312   27.086   10.527   17.730   8.9783   91.469   21.637   74.056   21.297 17.41281 30.35968 
1 1 1   -1   22   51 o   65.925   15.871   13.028   6.7654   18.850   10.684   9.1302   8.7410   75.000   23.619   56.850   21.207 18.14985 31.74257 
1 1 1   -1   22   52 o   74.297   15.897   18.524   6.9323   23.193   10.578   15.008   9.1780   81.760   22.985   66.835   21.967 14.92452 31.79379 
1 1 1   -1   22   53 o   85.558   14.535   24.959   6.9993   16.024   10.794   31.440   9.1941   68.964   23.825  102.153   16.656 -33.18951 29.07009 
1 1 1   -1   22   54 o   61.173   14.937   7.4803   6.9279   23.614   11.023  -3.0523   8.9066   82.255   23.582   40.092   18.338 42.16238 29.87302 
1 1 1   -1   22   55 o  119.683   11.798   45.453   7.5122   49.124   11.830   42.973   9.7246  122.246   17.908  117.120   15.366 5.125542 23.59695 
1 1 1   -1   22   56 o   79.923   13.531   18.756   7.1891   41.766   11.200   2.6319   9.3755  113.932   18.192   45.915   20.036 68.01717 27.06243 
1 1 1   -1   22   57 o   87.643   15.350   35.618   9.9983   2.3896   18.026   50.383   12.016   52.692   24.769  122.594   18.139 -69.90180 30.70019 
1 1 1   -1   23    1 o   89.307   17.862   22.437   8.3187   0.0000   0.0000   22.437   8.3187  ?   ?    89.307   17.862      ?      ? 
1 1 1   -1   23    2 o  259.802   7.5405  182.554   10.586   0.0000   0.0000  182.554   10.586  ?   ?   259.802   7.5405      ?      ? 
1 1 1   -1   23    3 o  166.978   10.201   75.474   9.2046   0.0000   0.0000   75.474   9.2046  ?   ?   166.978   10.201      ?      ? 
1 1 1   -1   23    4 o  230.286   8.6926  143.479   10.817   0.0000   0.0000  143.479   10.817  ?   ?   230.286   8.6926      ?      ? 
1 1 1   -1   23    5 o  397.751   9.3157  428.114   20.022   0.0000   0.0000  428.114   20.022  ?   ?   397.751   9.3157      ?      ? 
1 1 1   -1   23    6 o  428.395   8.3716  487.601   18.089  523.423   32.476  471.489   21.780  439.402   13.678  417.388   9.6567 22.01428 16.74321 
1 1 1   -1   23    7 o  414.684   8.3128  459.116   17.344  484.009   31.158  447.940   20.878  422.530   13.646  406.839   9.4967 15.69156 16.62564 
1 1 1   -1   23    9 o  176.366   13.856   84.356   13.205   0.0000   0.0000   84.356   13.205  ?   ?   176.366   13.856      ?      ? 
1 1 1   -1   23   12 o   97.948   15.666   27.312   8.1416   21.958   11.452   32.783   11.577   88.050   23.593  107.846   20.617 -19.79599 31.33158 
1 1 1   -1   23   14 o  264.001   10.240  188.827   14.609   0.0000   0.0000  188.827   14.609  ?   ?   264.001   10.240      ?      ? 
1 1 1   -1   23   15 o  248.409   7.6042  167.125   10.203  160.355   14.238  174.271   14.627  243.236   10.833  253.582   10.675 -10.34633 15.20847 
1 1 1   -1   23   16 o  148.819   17.330   78.952   11.250   29.797   19.844  102.234   13.657  103.573   32.119  194.066   13.023 -90.49342 34.65900 
1 1 1   -1   23   17 o  387.512   10.470  408.493   21.896  383.784   30.856  433.559   31.078  375.635   15.201  399.388   14.400 -23.75281 20.93913 
1 1 1   -1   23   18 o  357.477   10.570  347.606   20.342  347.973   30.099  347.297   27.599  357.546   15.579  357.408   14.290 0.1376343 21.13998 
1 1 1   -1   23   19 o   87.263   21.672   17.195   12.582   27.027   20.229   10.991   16.069   99.755   32.604   74.771   28.560 24.98428 43.34373 
1 1 1   -1   23   20 o  422.021   10.545  484.008   23.949  425.676   33.059  548.423   34.740  395.193   15.481  448.849   14.323 -53.65625 21.09073 
1 1 1   -1   23   21 o  297.427   7.1037  239.569   11.407  227.969   15.775  252.284   16.516  289.890   10.070  304.964   10.022 -15.07422 14.20741 
1 1 1   -1   23   22 f   84.382   14.610   19.191   7.7396   3.8922   10.961   34.404   10.930   56.696   22.980  112.069   18.049 -55.37369 29.22039 
1 1 1   -1   23   23 o  295.654   7.0195  237.912   11.160  229.401   16.446  245.175   15.192  290.665   10.471  300.642   9.3516 -9.977783 14.03897 
1 1 1   -1   23   24 o  196.463   8.1284  105.092   8.6091  102.726   12.528  107.209   11.850  194.316   11.931  198.609   11.042 -4.292587 16.25677 
1 1 1   -1   23   25 o  174.746   8.8759   83.343   8.3631   77.378   11.862   89.239   11.793  168.462   13.031  181.031   12.055 -12.56882 17.75176 
1 1 1   -1   23   26 o   89.302   17.617   21.197   8.8342   14.462   11.193   32.320   14.386   73.319   24.267  105.285   25.546 -31.96673 35.23447 
1 1 1   -1   23   27 o  271.441   8.1465  204.105   11.602  185.383   18.284  216.725   15.011  260.536   12.987  282.345   9.8388 -21.80887 16.29299 
1 1 1   -1   23   28 o   86.652   15.251   22.097   8.2061   5.3716   12.550   34.589   10.846   61.319   24.682  111.986   17.923 -50.66711 30.50296 
1 1 1   -1   23   29 o  443.551   7.1513  535.600   17.133  525.133   24.424  545.742   24.040  439.227   10.290  447.876   9.9333 -8.649048 14.30262 
1 1 1   -1   23   30 o  385.089   9.4657  403.513   19.697   0.0000   0.0000  403.513   19.697  ?   ?   385.089   9.4657      ?      ? 
1 1 1   -1   23   31 o   96.330   14.240   26.863   7.1667   26.896   9.9002   26.826   10.388   96.517   19.650   96.144   20.614 0.3723145 28.47919 
1 1 1   -1   23   32 o   95.897   13.816   26.554   7.0303   18.895   9.8941   34.365   9.9913   80.464   22.085  111.331   16.608 -30.86657 27.63297 
1 1 1   -1   23   33 o  190.445   8.0987   99.208   8.2948  100.019   12.367   98.546   11.183  191.035   11.980  189.855   10.901 1.179962 16.19733 
1 1 1   -1   23   34 o  228.849   9.9402  143.010   12.292   0.0000   0.0000  143.010   12.292  ?   ?   228.849   9.9402      ?      ? 
1 1 1   -1   23   35 o   67.169   15.799   1.1686   8.2927 -13.7151   10.301   28.581   13.979   37.206   17.837   97.133   26.083 -59.92679 31.59890 
1 1 1   -1   23   36 o  244.774   9.3712  165.779   12.370  166.689   16.993  164.752   18.042  245.680   12.800  243.868   13.691 1.811829 18.74233 
1 1 1   -1   23   37 o   71.084   17.914   12.399   8.8010   7.0518   11.588   19.687   13.529   60.533   23.931   81.635   26.663 -21.10163 35.82714 
1 1 1   -1   23   38 o   92.991   17.757   26.129   8.9379   24.842   11.335   28.243   14.533   90.557   23.092   95.426   26.982 -4.868973 35.51439 
1 1 1   -1   23   39 o  185.780   11.106   94.953   11.016   80.045   14.377  116.149   17.143  168.499   15.790  203.061   15.623 -34.56227 22.21229 
1 1 1   -1   23   40 o  440.089   8.6278  527.880   19.066  565.090   34.408  511.392   22.904  448.987   14.182  431.191   9.8300 17.79602 17.25565 
1 1 1   -1   23   41 o  112.672   13.312   39.617   7.4236   26.646   11.382   49.221   9.7935   92.852   22.842  132.492   13.679 -39.63996 26.62439 
1 1 1   -1   23   42 o  275.741   9.1256  209.219   13.597   0.0000   0.0000  209.219   13.597  ?   ?   275.741   9.1256      ?      ? 
1 1 1   -1   23   43 o  247.768   9.1938  169.081   12.309   0.0000   0.0000  169.081   12.309  ?   ?   247.768   9.1938      ?      ? 
1 1 1   -1   23   44 o   76.051   15.619   17.546   6.8512   23.022   10.416   13.371   9.0956   85.506   22.309   66.595   21.867 18.91098 31.23848 
1 1 1   -1   23   45 o  239.106   7.0049  158.554   8.9989  159.195   13.469  158.037   12.095  239.209   10.420  239.002   9.3649 0.2076263 14.00978 
1 1 1   -1   23   46 o   91.682   14.029   26.276   6.6938   24.675   10.233   27.474   8.8498   88.091   21.651   95.273   17.846 -7.181404 28.05796 
1 1 1   -1   23   47 o   56.876   14.003   7.0145   6.4177  -5.4014   9.6704   16.786   8.5792   40.719   18.800   73.032   20.759 -32.31314 28.00676 
1 1 1   -1   23   48 o   82.666   15.115   21.707   6.7475   24.518   10.382   19.651   8.8781   86.899   22.069   78.433   20.660 8.466866 30.23032 
1 1 1   -1   23   49 o   64.563   14.753   10.053   6.5430   23.596   10.417   1.2294   8.4085   84.671   22.416   44.454   19.187 40.21643 29.50672 
1 1 1   -1   23   50 o   53.413   15.192   6.9112   6.6828   5.9472   10.399   7.5896   8.7226   53.227   22.064   53.599   20.890 -0.3723946 30.38467 
1 1 1   -1   23   51 o  114.666   12.125   41.030   7.0862   36.253   10.955   44.466   9.2919  106.147   19.828  123.185   13.959 -17.03844 24.24905 
1 1 1   -1   23   52 o  164.923   8.9125   78.042   7.8682   79.674   12.010   76.815   10.415  165.772   13.407  164.074   11.747 1.698120 17.82507 
1 1 1   -1   23   53 o  106.048   13.574   38.358   7.2232   28.657   11.260   45.142   9.4158   89.307   23.144  122.789   14.191 -33.48127 27.14797 
1 1 1   -1   23   54 o   52.480   15.092   6.2281   7.0328   14.558   10.575  -0.3789   9.4175   62.710   23.338   42.250   19.142 20.46015 30.18443 
1 1 1   -1   23   55 o  152.309   15.655   85.100   10.933   66.937   18.854   94.302   13.420  128.446   27.958  176.173   14.097 -47.72733 31.31061 
1 1 1   -1   24    1 o  198.465   8.9545  106.637   9.6031   0.0000   0.0000  106.637   9.6031  ?   ?   198.465   8.9545      ?      ? 
1 1 1   -1   24    2 o  159.042   10.224   68.523   8.7866   0.0000   0.0000   68.523   8.7866  ?   ?   159.042   10.224      ?      ? 
1 1 1   -1   24    3 o  438.686   11.249  521.644   26.665   0.0000   0.0000  521.644   26.665  ?   ?   438.686   11.249      ?      ? 
1 1 1   -1   24    4 o  255.010   7.4366  175.952   10.248   0.0000   0.0000  175.952   10.248  ?   ?   255.010   7.4366      ?      ? 
1 1 1   -1   24    5 o  174.433   9.3616   82.396   8.8240   0.0000   0.0000   82.396   8.8240  ?   ?   174.433   9.3616      ?      ? 
1 1 1   -1   24    6 o  617.472   10.122  1040.02   32.044  1021.85   54.513  1049.61   39.610  612.799   16.462  622.145   11.782 -9.346375 20.24426 
1 1 1   -1   24    7 o  661.969   10.677  1187.26   35.873  1202.48   62.755  1179.87   43.721  664.432   17.479  659.507   12.268 4.925720 21.35460 
1 1 1   -1   24    8 o  358.475   7.7415  342.578   13.990  364.189   25.085  332.821   16.855  366.350   12.672  350.601   8.8968 15.74890 15.48305 
1 1 1   -1   24    9 o  218.530   8.3149  129.458   9.8163  125.667   13.729  133.422   14.040  215.255   11.803  221.804   11.714 -6.549194 16.62982 
1 1 1   -1   24   11 o  183.241   16.895  107.872   12.347   70.878   25.747  118.921   14.071  157.151   31.417  209.332   12.439 -52.18051 33.79022 
1 1 1   -1   24   12 o  262.625   12.484  183.162   17.328  211.374   28.263  166.171   21.934  278.243   18.798  247.008   16.433 31.23557 24.96780 
1 1 1   -1   24   13 o  194.895   15.467  106.521   15.712   94.009   24.921  114.775   20.241  184.746   24.964  205.043   18.269 -20.29701 30.93435 
1 1 1   -1   24   14 o  245.238   13.160  167.034   17.149  141.531   25.263  188.829   23.355  227.285   20.570  263.191   16.422 -35.90607 26.32059 
1 1 1   -1   24   15 o  164.568   17.157   76.729   14.654   65.563   21.486   86.441   20.038  151.647   27.220  177.488   20.893 -25.84184 34.31353 
1 1 1   -1   24   16 f   70.641   19.569   8.5640   10.211   8.2393   12.254   9.3018   18.470   65.200   24.932   76.081   30.170 -10.88113 39.13848 
1 1 1   -1   24   17 o  465.047   7.4415  585.903   18.683  560.787   25.773  613.717   27.122  454.569   10.493  475.525   10.555 -20.95581 14.88298 
1 1 1   -1   24   18 o  279.826   7.2281  212.075   10.911  195.237   15.094  230.501   15.789  268.193   10.415  291.459   10.025 -23.26535 14.45619 
1 1 1   -1   24   19 o   64.678   16.765   9.4424   7.6660   9.1228   10.825   9.7639   10.858   64.131   23.664   65.224   23.755 -1.092751 33.52998 
1 1 1   -1   24   20 f  170.579   9.2733   79.227   8.5368   73.867   11.936   84.841   12.215  164.642   13.416  176.515   12.806 -11.87320 18.54670 
1 1 1   -1   24   21 o  226.375   7.7802  139.487   9.5052  134.516   13.621  144.207   13.271  222.396   11.334  230.355   10.661 -7.959122 15.56046 
1 1 1   -1   24   22 o  276.652   7.1464  207.774   10.672  194.983   14.857  221.412   15.341  267.838   10.265  285.466   9.9451 -17.62781 14.29273 
1 1 1   -1   24   23 o  375.771   9.9723  383.875   20.249  383.875   20.249   0.0000   0.0000  375.771   9.9723  ?   ?       ?      ? 
1 1 1   -1   24   25 o  365.665   13.486  365.540   26.648   0.0000   0.0000  365.540   26.648  ?   ?   365.665   13.486      ?      ? 
1 1 1   -1   24   26 o   44.755   14.337  -5.5500   7.4757  -4.5957   10.531  -6.5195   10.614   45.546   20.474   43.964   20.075 1.582069 28.67375 
1 1 1   -1   24   27 o  248.265   8.1831  168.183   10.763  168.716   16.990  167.825   13.910  248.341   12.660  248.189   10.372 0.1517944 16.36630 
1 1 1   -1   24   28 o  353.082   9.5755  339.512   18.269   0.0000   0.0000  339.512   18.269  ?   ?   353.082   9.5755      ?      ? 
1 1 1   -1   24   29 o  362.016   9.6120  357.148   18.803   0.0000   0.0000  357.148   18.803  ?   ?   362.016   9.6120      ?      ? 
1 1 1   -1   24   30 o  171.061   18.199   81.622   16.823   0.0000   0.0000   81.622   16.823  ?   ?   171.061   18.199      ?      ? 
1 1 1   -1   24   31 o  101.091   17.551   30.443   9.4415   30.586   12.426   30.248   14.522  101.769   23.122  100.413   26.410 1.356369 35.10170 
1 1 1   -1   24   32 o  306.167   9.1980  258.420   15.195  272.973   21.426  243.694   21.553  315.033   12.586  297.300   13.416 17.73230 18.39598 
1 1 1   -1   24   33 o  125.510   15.073   46.234   9.7960   56.441   13.819   35.923   13.888  141.596   18.061  109.425   24.136 32.17017 30.14541 
1 1 1   -1   24   34 f   86.726   18.424   22.698   9.2811   23.131   12.241   22.113   14.234   87.532   24.767   85.920   27.284 1.612404 36.84887 
1 1 1   -1   24   35 o  102.696   17.400   32.762   9.5993   38.221   12.863   25.901   14.421  113.527   21.760   91.865   27.157 21.66174 34.79978 
1 1 1   -1   24   36 o   65.458   16.650   11.048   7.4477   13.252   11.465   9.4380   9.7962   69.522   24.520   61.394   22.533 8.128094 33.30083 
1 1 1   -1   24   37 o   48.527   14.617   0.2437   6.7976   5.0344   10.296  -3.4576   9.0503   55.069   22.289   41.986   18.917 13.08299 29.23460 
1 1 1   -1   24   38 o  154.563   9.4070   66.253   7.8196   71.036   11.772   62.477   10.461  159.385   13.668  149.741   12.928 9.643509 18.81402 
1 1 1   -1   24   39 o  249.734   9.4286  171.544   12.724   0.0000   0.0000  171.544   12.724  ?   ?   249.734   9.4286      ?      ? 
1 1 1   -1   24   40 o   89.075   14.637   23.718   6.9360   30.842   10.535   18.268   9.2150  101.059   20.000   77.092   21.376 23.96633 29.27301 
1 1 1   -1   24   41 o   97.428   13.940   29.822   7.1149   19.519   10.635   38.169   9.5726   79.055   23.308  115.800   15.298 -36.74551 27.87998 
1 1 1   -1   24   42 o  147.298   9.8901   62.194   7.7657   54.996   11.475   68.278   10.548  138.658   15.315  155.939   12.518 -17.28091 19.78013 
1 1 1   -1   24   43 f  218.210   9.9747  132.110   11.761   0.0000   0.0000  132.110   11.761  ?   ?   218.210   9.9747      ?      ? 
1 1 1   -1   24   44 o  109.340   12.761   36.065   7.2668   32.811   10.782   38.774   9.8365  103.006   20.093  115.675   15.737 -12.66978 25.52164 
1 1 1   -1   24   45 o  156.848   9.1153   70.110   7.6598   66.352   11.396   73.207   10.345  152.433   13.836  161.264   11.871 -8.830994 18.23067 
1 1 1   -1   24   46 o   49.026   14.673   2.8443   6.6713   3.6746   10.035   2.1868   8.9303   50.998   21.446   47.055   20.030 3.942848 29.34532 
1 1 1   -1   24   47 o   49.754   14.882   3.0489   6.9241   5.7930   10.153   0.6629   9.4673   53.567   21.962   45.941   20.088 7.625984 29.76331 
1 1 1   -1   24   48 o   83.795   14.972   22.943   6.7638   23.362   10.018   22.593   9.1691   84.056   21.853   83.534   20.473 0.5222168 29.94454 
1 1 1   -1   24   49 o  161.189   11.593   74.442   10.098   0.0000   0.0000   74.442   10.098  ?   ?   161.189   11.593      ?      ? 
1 1 1   -1   24   50 o   77.223   15.001   20.489   7.2534   8.5894   10.905   29.930   9.7137   57.434   23.046   97.012   19.210 -39.57764 30.00230 
1 1 1   -1   24   51 o   33.172   11.556 -17.3414   6.7399  -9.2663   10.925 -22.3038   8.5640   39.417   18.751   26.928   13.512 12.48833 23.11221 
1 1 1   -1   24   52 o   67.290   14.992   17.210   6.9040   7.2830   10.711   24.266   9.0302   51.939   22.016   82.640   20.355 -30.70145 29.98400 
1 1 1   -1   24   53 o  160.790   14.494   90.119   11.137   69.324   17.981  103.063   14.186  136.703   25.272  184.876   14.200 -48.17346 28.98819 
1 1 1   -1   24   54 o  135.551   15.226   63.453   10.193   74.077   18.010   58.446   12.364  137.367   25.191  133.736   17.109 3.631363 30.45140 
1 1 1   -1   25    1 o  121.827   12.693   40.304   8.3560   0.0000   0.0000   40.304   8.3560  ?   ?   121.827   12.693      ?      ? 
1 1 1   -1   25    2 o  436.880   9.6737  517.209   22.837   0.0000   0.0000  517.209   22.837  ?   ?   436.880   9.6737      ?      ? 
1 1 1   -1   25    3 o  211.171   8.6605  120.771   9.8824   0.0000   0.0000  120.771   9.8824  ?   ?   211.171   8.6605      ?      ? 
1 1 1   -1   25    4 o  168.872   10.890   77.348   9.9379   0.0000   0.0000   77.348   9.9379  ?   ?   168.872   10.890      ?      ? 
1 1 1   -1   25    5 f  536.357   10.755  780.242   31.171   0.0000   0.0000  780.242   31.171  ?   ?   536.357   10.755      ?      ? 
1 1 1   -1   25    9 o  169.616   23.767   79.392   21.784   0.0000   0.0000   79.392   21.784  ?   ?   169.616   23.767      ?      ? 
1 1 1   -1   25   10 o  207.810   14.706  119.096   16.261  116.036   25.108  121.306   21.342  205.180   22.646  210.440   18.768 -5.259598 29.41186 
1 1 1   -1   25   11 o  246.733   10.595  156.314   13.065  142.234   15.451  191.644   24.475  228.713   12.502  264.752   17.108 -36.03860 21.18921 
1 1 1   -1   25   12 o  160.078   10.320   69.464   8.9013   64.428   12.054   75.502   13.200  153.742   14.510  166.413   14.679 -12.67119 20.64008 
1 1 1   -1   25   13 o  175.868   13.628   84.244   12.951   0.0000   0.0000   84.244   12.951  ?   ?   175.868   13.628      ?      ? 
1 1 1   -1   25   14 o  428.295   10.219  497.961   23.651   0.0000   0.0000  497.961   23.651  ?   ?   428.295   10.219      ?      ? 
1 1 1   -1   25   15 o  328.124   10.074  292.290   17.862   0.0000   0.0000  292.290   17.862  ?   ?   328.124   10.074      ?      ? 
1 1 1   -1   25   16 o  164.158   9.9034   73.424   8.6865   59.506   11.954   88.995   12.644  147.580   14.990  180.736   12.947 -33.15578 19.80680 
1 1 1   -1   25   17 o   45.850   14.463  -6.0830   7.5350 -12.6514   10.389   1.2065   10.945   38.628   18.350   53.072   22.362 -14.44368 28.92684 
1 1 1   -1   25   18 o  373.744   7.0891  377.946   14.285  350.021   19.484  410.405   21.007  358.877   10.047  388.612   10.004 -29.73505 14.17822 
1 1 1   -1   25   19 o   70.347   23.521   13.175   10.508   13.175   10.508   0.0000   0.0000   70.347   23.521  ?   ?       ?      ? 
1 1 1   -1   25   21 o  272.990   7.2745  202.127   10.713  186.972   14.737  219.106   15.599  262.151   10.404  283.829   10.171 -21.67783 14.54907 
1 1 1   -1   25   22 o   74.514   16.229   15.173   7.6530   22.306   10.529   7.1811   11.144   87.750   22.190   61.278   23.687 26.47184 32.45708 
1 1 1   -1   25   23 f   63.955   17.265   8.0667   8.5782   12.727   10.961   0.7025   13.779   69.805   24.015   58.105   24.810 11.70087 34.52932 
1 1 1   -1   25   24 o  206.532   9.5405  111.295   10.223   98.230   12.528  137.342   17.689  189.532   12.232  223.533   14.644 -34.00067 19.08095 
1 1 1   -1   25   25 o   67.004   17.505   6.8738   9.1010  -3.0338   12.103   19.764   13.805   50.599   22.396   83.408   26.911 -32.80853 35.01085 
1 1 1   -1   25   26 f  126.098   15.268   45.628   10.130   48.694   14.061   42.320   14.605  131.860   19.734  120.335   23.303 11.52467 30.53613 
1 1 1   -1   25   27 o   94.161   18.234   26.115   9.6781   20.304   13.399   32.455   13.995   83.842   26.455  104.480   25.101 -20.63836 36.46832 
1 1 1   -1   25   28 o  218.254   10.059  131.007   11.813  127.545   15.901  135.270   17.647  215.215   13.673  221.293   14.758 -6.078110 20.11826 
1 1 1   -1   25   29 o  170.299   11.366   80.831   10.296   81.959   13.493   79.257   15.931  172.168   14.503  168.429   17.504 3.738708 22.73139 
1 1 1   -1   25   30 o  175.357   11.264   82.938   10.484   65.856   13.580  108.131   16.492  153.583   16.364  197.132   15.482 -43.54858 22.52709 
1 1 1   -1   25   31 o  118.290   13.109   40.874   7.9552   35.135   12.090   45.255   10.564  109.164   21.260  127.415   15.344 -18.25105 26.21873 
1 1 1   -1   25   32 o  168.123   9.8452   76.877   8.8091   87.568   14.004   69.877   11.332  177.372   14.611  158.874   13.199 18.49768 19.69046 
1 1 1   -1   25   33 o  268.320   9.7219  197.276   14.096   0.0000   0.0000  197.276   14.096  ?   ?   268.320   9.7219      ?      ? 
1 1 1   -1   25   34 o  113.321   12.934   36.843   7.4106   54.084   11.128   23.105   9.9337  138.986   14.817   87.656   21.203 51.32944 25.86716 
1 1 1   -1   25   35 o  159.990   9.1723   70.523   7.8807   82.286   11.799   61.050   10.589  172.008   12.695  147.973   13.243 24.03491 18.34456 
1 1 1   -1   25   36 o   90.383   14.108   23.386   7.2528   40.105   10.932   10.242   9.6932  118.601   17.058   62.165   22.475 56.43565 28.21539 
1 1 1   -1   25   37 o  145.157   9.9041   59.076   7.7074   60.728   11.715   57.815   10.234  146.614   14.787  143.700   13.180 2.914200 19.80821 
1 1 1   -1   25   38 o   61.123   14.430   5.2973   6.9169   21.952   10.506  -7.4451   9.1896   83.954   22.640   38.292   17.898 45.66205 28.86070 
1 1 1   -1   25   39 f   92.288   14.577   25.560   7.1174   33.532   10.743   19.324   9.5021  105.557   19.554   79.019   21.625 26.53798 29.15447 
1 1 1   -1   25   40 o   84.195   14.061   22.247   6.9158   10.166   10.083   32.980   9.5036   61.490   22.808  106.899   16.452 -45.40938 28.12276 
1 1 1   -1   25   41 o  100.266   13.724   32.278   7.1560   17.752   10.459   45.063   9.8123   74.890   23.334  125.643   14.453 -50.75318 27.44705 
1 1 1   -1   25   42 o   60.974   15.021   9.9745   6.7610   1.1766   10.109   17.094   9.0941   48.403   20.965   73.546   21.516 -25.14282 30.04126 
1 1 1   -1   25   43 o  100.437   13.876   31.136   7.2274   30.757   10.764   31.447   9.7530   99.152   20.756  101.722   18.422 -2.570457 27.75154 
1 1 1   -1   25   44 o  122.520   12.176   45.330   7.6840   36.613   11.104   53.341   10.644  108.925   19.585  136.116   14.472 -27.19122 24.35155 
1 1 1   -1   25   45 o   60.385   15.407   9.0218   7.0986   18.129   10.222   0.5408   9.8649   74.173   23.062   46.598   20.437 27.57508 30.81382 
1 1 1   -1   25   46 o  153.678   9.4426   68.470   7.7623   63.634   11.535   72.472   10.493  147.885   14.435  159.471   12.177 -11.58627 18.88529 
1 1 1   -1   25   47 f  141.624   10.241   58.964   7.7816   61.893   11.821   56.725   10.337  144.112   15.180  139.137   13.749 4.974838 20.48108 
1 1 1   -1   25   48 o  140.934   10.179   57.931   7.7190   62.843   11.592   54.016   10.347  146.033   14.689  135.837   14.096 10.19611 20.35887 
1 1 1   -1   25   49 o  117.217   11.764   41.246   7.4162   42.784   11.104   40.007   9.9643  118.682   17.315  115.753   15.930 2.929504 23.52841 
1 1 1   -1   25   50 o   92.915   15.229   31.099   7.4910   27.313   11.434   33.947   9.9156   84.883   23.908  100.947   18.871 -16.06332 30.45883 
1 1 1   -1   25   51 o   60.143   18.181   9.1641   9.4449   21.149   18.058   4.6509   11.082   70.098   29.069   50.187   21.844 19.91095 36.36147 
1 1 1   -1   25   52 o  112.082   16.602   57.610   10.602   22.883   18.720   74.009   12.864   70.159   29.387  154.006   15.458 -83.84666 33.20415 
1 1 1   -1   26    5 o  453.154   17.769  562.838   43.511   0.0000   0.0000  562.838   43.511  ?   ?   453.154   17.769      ?      ? 
1 1 1   -1   26    7 o  268.107   13.985  196.014   20.261   0.0000   0.0000  196.014   20.261  ?   ?   268.107   13.985      ?      ? 
1 1 1   -1   26    8 o  128.614   13.628   45.013   9.4201   40.203   12.593   51.126   14.195  120.895   19.276  136.334   19.269 -15.43926 27.25516 
1 1 1   -1   26    9 o  151.850   12.832   63.152   10.513   58.829   14.464   67.995   15.308  146.336   18.291  157.365   18.002 -11.02914 25.66406 
1 1 1   -1   26   10 o  103.963   17.436   31.704   9.5461   33.941   12.347   28.378   15.052  108.932   21.737   98.995   27.269 9.936554 34.87247 
1 1 1   -1   26   11 o  124.096   14.935   42.917   9.5998   41.532   12.362   45.023   15.237  122.821   18.626  125.372   23.350 -2.550995 29.86913 
1 1 1   -1   26   12 o  178.658   11.483   89.979   10.732  111.194   14.829   66.644   15.553  201.792   13.600  155.524   18.506 46.26759 22.96584 
1 1 1   -1   26   13 o  168.422   11.495   78.190   10.358   80.338   13.834   75.450   15.627  171.271   14.948  165.573   17.466 5.698410 22.98931 
1 1 1   -1   26   14 o  395.709   9.4036  427.718   20.076  426.126   27.605  429.504   29.249  395.047   12.932  396.371   13.656 -1.323395 18.80721 
1 1 1   -1   26   15 o  212.808   10.002  124.021   11.439  124.842   15.430  123.018   17.046  213.737   13.360  211.880   14.888 1.857376 20.00362 
1 1 1   -1   26   16 o  318.491   9.1249  276.407   15.630  271.171   21.020  282.883   23.377  315.269   12.338  321.713   13.447 -6.444061 18.24976 
1 1 1   -1   26   17 o  352.914   9.2671  340.340   17.670  342.342   24.841  338.288   25.141  354.001   12.986  351.827   13.224 2.173584 18.53416 
1 1 1   -1   26   18 o  134.124   14.615   51.825   9.9931   56.374   13.034   45.338   15.565  143.040   16.863  125.208   23.876 17.83193 29.23085 
1 1 1   -1   26   19 o  376.345   9.4943  387.683   19.274  385.360   26.445  390.315   28.148  375.285   13.041  377.405   13.802 -2.120331 18.98851 
1 1 1   -1   26   20 f  129.718   14.254   46.914   9.9134   46.599   13.209   47.320   15.001  129.474   18.879  129.962   21.361 -0.4877777 28.50827 
1 1 1   -1   26   21 o  375.611   9.4062  386.737   19.081  404.955   27.404  369.595   26.584  384.233   13.199  366.988   13.405 17.24533 18.81249 
1 1 1   -1   26   22 o  251.379   9.4927  169.697   12.727  150.203   16.461  198.671   20.069  233.954   13.021  268.804   13.816 -34.85080 18.98537 
1 1 1   -1   26   23 o  252.339   9.4493  172.968   12.758  161.464   16.704  189.077   19.766  242.578   12.743  262.101   13.956 -19.52304 18.89856 
1 1 1   -1   26   24 o  242.587   9.4316  161.033   12.303  154.324   16.469  169.505   18.506  237.048   12.857  248.126   13.803 -11.07857 18.86330 
1 1 1   -1   26   25 o  101.090   15.984   29.698   8.4921   35.113   12.799   25.440   11.350  109.394   22.406   92.785   22.801 16.60844 31.96702 
1 1 1   -1   26   26 o   89.619   21.994   23.741   10.572   0.0000   0.0000   23.741   10.572  ?   ?    89.619   21.994      ?      ? 
1 1 1   -1   26   27 o  131.462   11.205   48.174   7.9587   48.504   11.178   47.834   11.334  131.962   15.676  130.962   16.016 1.000107 22.41085 
1 1 1   -1   26   28 o  173.648   9.0718   83.093   8.4893   92.042   12.295   74.941   11.736  182.671   12.456  164.625   13.192 18.04622 18.14357 
1 1 1   -1   26   29 o  172.087   12.433   81.751   11.561   0.0000   0.0000   81.751   11.561  ?   ?   172.087   12.433      ?      ? 
1 1 1   -1   26   30 o  146.903   14.218   60.050   11.287   0.0000   0.0000   60.050   11.287  ?   ?   146.903   14.218      ?      ? 
1 1 1   -1   26   31 o  167.242   9.1409   77.600   8.2598   76.722   11.726   78.465   11.637  166.261   13.052  168.223   12.801 -1.962494 18.28180 
1 1 1   -1   26   32 o  158.960   9.4601   70.057   8.0379   85.246   11.820   56.991   10.963  175.221   12.484  142.700   14.217 32.52066 18.92022 
1 1 1   -1   26   33 o   93.538   15.119   26.346   7.4489   28.566   11.130   24.545   10.025   96.991   21.769   90.084   20.985 6.907410 30.23729 
1 1 1   -1   26   34 o  320.043   9.4740  281.644   16.384   0.0000   0.0000  281.644   16.384  ?   ?   320.043   9.4740      ?      ? 
1 1 1   -1   26   35 o   59.163   15.725   8.3178   6.9699   4.5912   9.8033   12.127   9.9114   53.058   21.647   65.267   22.814 -12.20956 31.44945 
1 1 1   -1   26   36 o  118.220   11.843   40.007   7.5535   42.607   11.053   37.728   10.346  121.793   16.795  114.647   16.701 7.146515 23.68504 
1 1 1   -1   26   37 o  168.528   12.177   79.429   11.090   0.0000   0.0000   79.429   11.090  ?   ?   168.528   12.177      ?      ? 
1 1 1   -1   26   38 o  129.290   10.438   47.728   7.2845   45.476   10.330   49.956   10.274  126.064   15.164  132.516   14.348 -6.452148 20.87589 
1 1 1   -1   26   39 o   75.708   15.930   17.966   7.1562   22.886   10.259   13.303   9.9874   84.934   22.130   66.483   22.920 18.45073 31.86026 
1 1 1   -1   26   40 o  109.733   12.245   35.389   7.2583   36.554   10.406   34.284   10.130  111.518   17.268  107.949   17.365 3.568810 24.48925 
1 1 1   -1   26   41 o   77.553   15.609   19.189   6.8524   20.219   9.9154   18.248   9.4807   79.427   22.227   75.678   21.920 3.749741 31.21718 
1 1 1   -1   26   42 o   88.041   15.368   24.927   7.2699   23.560   10.586   26.147   10.001   85.172   22.620   90.910   20.808 -5.737488 30.73506 
1 1 1   -1   26   43 o  213.554   7.9421  128.971   9.1391  120.397   13.074  137.165   12.781  206.182   11.734  220.926   10.706 -14.74400 15.88412 
1 1 1   -1   26   44 o  132.720   10.878   52.165   7.6944   43.698   11.004   60.265   10.763  121.045   16.824  144.395   13.794 -23.34937 21.75570 
1 1 1   -1   26   45 o  145.819   10.131   63.199   7.8960   55.868   11.489   69.761   10.870  136.643   15.560  154.996   12.978 -18.35335 20.26189 
1 1 1   -1   26   46 o  153.858   10.181   69.573   8.4409   69.690   12.391   69.472   11.530  153.503   14.938  154.213   13.837 -0.7100220 20.36156 
1 1 1   -1   26   47 o  133.936   10.789   52.741   7.7834   57.813   11.564   48.541   10.524  139.742   15.314  128.130   15.200 11.61276 21.57715 
1 1 1   -1   26   48 o  155.479   17.504  100.677   10.451   58.063   21.547  113.787   11.951  112.361   33.190  198.597   11.137 -86.23564 35.00885 
1 1 1   -1   26   49 o   60.768   18.066   13.264   10.075   4.3604   20.686   16.034   11.536   57.099   26.742   64.437   24.298 -7.338104 36.13158 
1 1 1   -1   26   50 o  120.517   18.456   66.111   11.334   39.009   22.593   75.225   13.101   85.044   33.480  155.990   15.543 -70.94658 36.91203 
1 1 1   -1   26   51 o   77.304   16.220   22.937   8.1695   10.590   11.044   37.860   12.141   55.285   22.813   99.323   23.064 -44.03804 32.44069 
1 1 1   -1   27    1 o  107.660   14.684   31.740   8.5428   0.0000   0.0000   31.740   8.5428  ?   ?   107.660   14.684      ?      ? 
1 1 1   -1   27    2 o  316.687   7.3696  271.896   12.611   0.0000   0.0000  271.896   12.611  ?   ?   316.687   7.3696      ?      ? 
1 1 1   -1   27    3 o   58.054   20.920   7.9668   8.3886   0.0000   0.0000   7.9668   8.3886  ?   ?    58.054   20.920      ?      ? 
1 1 1   -1   27    4 o  183.462   9.3280   91.443   9.2475   0.0000   0.0000   91.443   9.2475  ?   ?   183.462   9.3280      ?      ? 
1 1 1   -1   27    5 o  106.948   15.071   31.352   8.7097   0.0000   0.0000   31.352   8.7097  ?   ?   106.948   15.071      ?      ? 
1 1 1   -1   27    6 o   64.106   20.100   11.319   7.7472   0.0000   0.0000   11.319   7.7472  ?   ?    64.106   20.100      ?      ? 
1 1 1   -1   27    7 o  181.174   9.7747   89.228   9.5695   0.0000   0.0000   89.228   9.5695  ?   ?   181.174   9.7747      ?      ? 
1 1 1   -1   27    8 o  235.005   7.5707  150.584   8.9878  149.527   15.784  151.091   10.933  234.086   12.478  235.923   8.5763 -1.836594 15.14133 
1 1 1   -1   27    9 o   40.279   13.198  -7.9219   6.3484  -3.9550   11.035  -9.8844   7.7615   47.488   21.180   33.071   15.752 14.41773 26.39579 
1 1 1   -1   27   10 o  101.954   14.498   30.318   7.2365   26.937   12.995   31.838   8.7123   96.141   24.838  107.767   14.961 -11.62594 28.99585 
1 1 1   -1   27   11 o  353.532   10.174  340.040   19.436   0.0000   0.0000  340.040   19.436  ?   ?   353.532   10.174      ?      ? 
1 1 1   -1   27   12 o  121.944   18.592   41.151   12.251   0.0000   0.0000   41.151   12.251  ?   ?   121.944   18.592      ?      ? 
1 1 1   -1   27   13 o  200.171   8.8151  109.390   9.5301  105.739   13.235  113.321   13.735  196.708   12.451  203.633   12.482 -6.924713 17.63013 
1 1 1   -1   27   14 o  178.058   9.2424   86.464   8.8643   82.864   11.976   90.825   13.183  174.034   12.735  182.081   13.399 -8.046890 18.48490 
1 1 1   -1   27   15 o   95.905   15.674   26.847   7.9897   22.955   11.245   30.814   11.354   88.611   23.208  103.198   21.074 -14.58663 31.34841 
1 1 1   -1   27   16 o  137.808   11.706   52.489   8.6927   47.331   12.092   58.005   12.505  130.696   17.122  144.920   15.969 -14.22418 23.41273 
1 1 1   -1   27   17 o  150.282   10.413   61.799   8.4133   53.825   11.429   71.232   12.430  139.689   15.141  160.874   14.299 -21.18573 20.82594 
1 1 1   -1   27   18 o  160.684   10.060   71.805   8.6375   81.461   11.993   61.399   12.450  172.293   12.882  149.076   15.456 23.21706 20.11992 
1 1 1   -1   27   19 o  245.582   7.6643  164.744   10.168  159.046   14.238  170.674   14.524  241.229   10.923  249.936   10.754 -8.706360 15.32851 
1 1 1   -1   27   20 o  261.374   10.800  186.744   15.254   0.0000   0.0000  186.744   15.254  ?   ?   261.374   10.800      ?      ? 
1 1 1   -1   27   22 o  172.881   10.708   82.918   9.6544   83.205   12.181   82.432   15.834  173.861   12.965  171.901   17.046 1.960159 21.41629 
1 1 1   -1   27   23 o  178.896   13.782   88.474   13.323   0.0000   0.0000   88.474   13.323  ?   ?   178.896   13.782      ?      ? 
1 1 1   -1   27   24 o  206.034   9.0269  118.987   9.8350  106.374   15.051  128.384   12.992  195.833   14.223  216.234   11.119 -20.40109 18.05375 
1 1 1   -1   27   25 o  210.490   8.2524  121.495   9.3684  129.796   13.771  114.343   12.782  217.137   11.737  203.844   11.604 13.29286 16.50476 
1 1 1   -1   27   26 o  107.638   13.901   33.471   7.8369   41.577   11.430   26.278   10.766  121.447   17.417   93.830   21.671 27.61758 27.80237 
1 1 1   -1   27   27 o   51.188   15.352   1.1522   7.4599  -2.0210   10.490   4.3988   10.611   47.232   20.880   55.144   22.512 -7.912399 30.70469 
1 1 1   -1   27   28 o   74.533   14.433   13.691   7.3706  -1.4766   10.094   31.013   10.787   46.771   20.589  102.296   20.232 -55.52501 28.86567 
1 1 1   -1   27   29 f  142.667   10.498   57.131   8.0919   58.264   11.541   56.037   11.349  144.064   14.825  141.270   14.867 2.794800 20.99521 
1 1 1   -1   27   30 o  180.539   12.494   90.620   12.189   0.0000   0.0000   90.620   12.189  ?   ?   180.539   12.494      ?      ? 
1 1 1   -1   27   31 o   69.570   14.997   12.232   7.3330   25.407   10.423  -0.6802   10.318   91.335   21.480   47.806   20.935 43.52936 29.99458 
1 1 1   -1   27   32 o   80.590   15.963   20.184   7.3038   23.205   10.080   16.844   10.598   86.883   21.570   74.298   23.537 12.58474 31.92586 
1 1 1   -1   27   33 o   94.740   15.311   27.796   7.7018   32.078   10.811   23.384   10.975  103.015   20.144   86.466   23.063 16.54807 30.62166 
1 1 1   -1   27   34 o  246.588   10.415  168.373   13.878   0.0000   0.0000  168.373   13.878  ?   ?   246.588   10.415      ?      ? 
1 1 1   -1   27   35 o  206.436   7.9675  118.805   8.8789  112.371   12.515  125.326   12.599  200.651   11.542  212.221   10.986 -11.56979 15.93504 
1 1 1   -1   27   36 o   76.025   16.131   17.909   7.3025   13.099   10.015   23.371   10.671   66.292   22.946   85.759   22.680 -19.46760 32.26285 
1 1 1   -1   27   37 o  170.854   9.5208   83.353   8.5448   60.540   11.808  108.427   12.380  145.116   15.059  196.593   11.654 -51.47710 19.04160 
1 1 1   -1   27   38 o  198.293   8.4721  110.339   9.0537  122.136   13.240   99.977   12.409  208.358   11.759  188.227   12.200 20.13139 16.94430 
1 1 1   -1   27   39 o   63.438   15.535   10.384   7.2802   0.8328   10.309   19.884   10.282   48.334   21.053   78.541   22.851 -30.20747 31.07020 
1 1 1   -1   27   40 f   54.039   14.990   3.5744   7.2229   14.430   10.355  -6.7144   10.080   67.739   23.339   40.340   18.819 27.39913 29.98065 
1 1 1   -1   27   41 o  153.005   9.7380   67.889   7.9878   62.246   11.685   72.839   10.944  146.270   14.784  159.740   12.679 -13.47102 19.47603 
1 1 1   -1   27   42 o  177.520   8.8748   90.578   8.4644   81.762   12.143   98.911   11.805  168.436   13.341  186.605   11.708 -18.16844 17.74969 
1 1 1   -1   27   43 o   55.361   15.411   5.8990   7.5411  -4.0373   10.699   15.708   10.631   42.874   19.788   67.848   23.632 -24.97445 30.82281 
1 1 1   -1   27   44 o   81.057   16.181   22.914   7.6332   16.996   11.342   27.814   10.320   70.397   24.416   91.716   21.241 -21.31877 32.36268 
1 1 1   -1   27   45 o  145.088   10.331   62.006   8.0692   57.763   11.595   65.992   11.237  139.643   15.365  150.533   13.814 -10.88940 20.66231 
1 1 1   -1   27   46 o   79.260   19.437   26.678   11.201   13.752   19.299   33.243   13.754   65.599   28.682   92.922   26.240 -27.32352 38.87426 
1 1 1   -1   27   47 o   47.889   15.612  -2.4490   10.334 -38.1982   21.831   7.8739   11.731   42.252   21.252   53.525   22.875 -11.27320 31.22336 
1 1 1   -1   27   48 o   65.817   19.675   14.761   11.042   23.086   20.900   11.538   13.005   71.875   30.620   59.759   24.716 12.11620 39.35045 
1 1 1   -1   27   49 o   69.361   14.517   13.807   7.4349   36.133   11.512  -2.1713   9.7384   98.340   22.190   40.383   18.723 57.95772 29.03329 
1 1 1   -1   28    1 o  106.015   14.912   30.889   8.5429   0.0000   0.0000   30.889   8.5429  ?   ?   106.015   14.912      ?      ? 
1 1 1   -1   28    2 o  167.795   10.377   76.708   9.4092   0.0000   0.0000   76.708   9.4092  ?   ?   167.795   10.377      ?      ? 
1 1 1   -1   28    3 o  259.690   7.7064  183.059   10.814   0.0000   0.0000  183.059   10.814  ?   ?   259.690   7.7064      ?      ? 
1 1 1   -1   28    4 o  116.675   13.585   37.321   8.5650   0.0000   0.0000   37.321   8.5650  ?   ?   116.675   13.585      ?      ? 
1 1 1   -1   28    5 o   56.249   20.591   7.3008   8.1732   0.0000   0.0000   7.3008   8.1732  ?   ?    56.249   20.591      ?      ? 
1 1 1   -1   28    6 o   68.013   19.732   13.189   7.6766   0.0000   0.0000   13.189   7.6766  ?   ?    68.013   19.732      ?      ? 
1 1 1   -1   28    7 o  477.201   10.041  620.534   25.892   0.0000   0.0000  620.534   25.892  ?   ?   477.201   10.041      ?      ? 
1 1 1   -1   28    8 o  128.431   11.995   45.124   8.3246   0.0000   0.0000   45.124   8.3246  ?   ?   128.431   11.995      ?      ? 
1 1 1   -1   28    9 o   69.745   15.780   12.771   6.5214   17.045   10.958   10.427   8.1149   77.254   23.853   62.236   20.665 15.01847 31.56004 
1 1 1   -1   28   10 o   88.898   14.555   22.854   6.5292   23.086   11.476   22.743   7.9394   88.628   23.558   89.167   17.100 -0.5385132 29.11010 
1 1 1   -1   28   11 o  250.580   7.3222  173.207   9.1104  166.554   16.367  176.193   10.966  246.549   12.285  254.611   7.9706 -8.062836 14.64445 
1 1 1   -1   28   12 o  129.041   11.639   45.855   8.0897   41.918   10.950   50.587   12.003  122.978   16.478  135.105   16.442 -12.12727 23.27788 
1 1 1   -1   28   13 o  288.480   10.153  227.098   15.827   0.0000   0.0000  227.098   15.827  ?   ?   288.480   10.153      ?      ? 
1 1 1   -1   28   14 f  219.018   11.241  131.231   13.304   0.0000   0.0000  131.231   13.304  ?   ?   219.018   11.241      ?      ? 
1 1 1   -1   28   15 o  206.702   8.3026  117.093   9.2584  125.805   13.187  108.624   13.001  214.372   11.384  199.031   12.089 15.34077 16.60524 
1 1 1   -1   28   16 o   66.440   16.932   11.071   7.7798   10.008   11.415   11.992   10.631   65.285   24.258   67.594   23.628 -2.308891 33.86333 
1 1 1   -1   28   17 o  197.102   8.6535  106.814   9.2050  112.394   12.978  101.164   13.058  202.383   11.867  191.820   12.598 10.56392 17.30709 
1 1 1   -1   28   18 f  212.749   8.5741  124.413   9.8407  115.192   13.785  133.997   14.053  204.606   12.468  220.893   11.773 -16.28641 17.14812 
1 1 1   -1   28   19 f  209.168   8.4874  120.953   9.5313  135.411   13.409  106.186   13.551  222.117   11.172  196.220   12.780 25.89651 16.97475 
1 1 1   -1   28   20 o  182.571   13.342   92.199   13.162   0.0000   0.0000   92.199   13.162  ?   ?   182.571   13.342      ?      ? 
1 1 1   -1   28   21 f  252.302   13.905  176.577   18.957   0.0000   0.0000  176.577   18.957  ?   ?   252.302   13.905      ?      ? 
1 1 1   -1   28   22 o   77.874   17.934   17.113   8.3120   15.593   10.212   20.097   14.308   73.155   23.097   82.593   27.441 -9.438087 35.86749 
1 1 1   -1   28   23 o  219.552   13.375  133.694   15.868  133.694   15.868   0.0000   0.0000  219.552   13.375  ?   ?       ?      ? 
1 1 1   -1   28   24 o  200.083   8.5688  110.686   9.2621  113.181   13.074  108.172   13.124  202.408   11.953  197.757   12.281 4.651108 17.13769 
1 1 1   -1   28   25 o   68.549   15.735   11.854   7.5763   22.600   10.704   1.0671   10.725   86.177   22.679   50.920   21.819 35.25690 31.47067 
1 1 1   -1   28   26 o  102.742   14.250   31.692   7.6849   37.509   10.577   25.189   11.184  114.820   17.048   90.663   22.840 24.15711 28.50081 
1 1 1   -1   28   27 o   82.034   15.443   20.090   7.7862   32.696   10.990   7.3864   11.033  104.650   20.166   59.417   23.395 45.23331 30.88638 
1 1 1   -1   28   28 o   85.133   15.742   22.166   7.3670   18.736   10.209   25.893   10.641   78.216   22.773   92.049   21.740 -13.83314 31.48427 
1 1 1   -1   28   29 o  164.234   9.5011   75.743   8.4268   73.679   12.003   77.749   11.833  161.896   13.721  166.572   13.146 -4.676056 19.00222 
1 1 1   -1   28   30 f  130.365   12.834   51.585   8.1778   72.279   11.582   31.011   11.549  160.402   13.362  100.328   21.915 60.07385 25.66764 
1 1 1   -1   28   31 o  175.698   8.9257   86.026   8.4380   75.690   11.545   97.880   12.364  164.230   13.009  187.166   12.225 -22.93597 17.85136 
1 1 1   -1   28   32 f  188.586   8.6207   99.314   8.7727   93.316   12.056  106.064   12.789  182.534   12.223  194.639   12.160 -12.10512 17.24131 
1 1 1   -1   28   34 o  111.992   13.542   37.798   7.9869   36.400   11.625   39.049   10.992  108.624   20.558  115.359   17.634 -6.735222 27.08440 
1 1 1   -1   28   35 o  181.343   12.711   93.079   12.455   93.079   12.455   0.0000   0.0000  181.343   12.711  ?   ?       ?      ? 
1 1 1   -1   28   36 o  116.660   18.691   40.600   11.783   0.0000   0.0000   40.600   11.783  ?   ?   116.660   18.691      ?      ? 
1 1 1   -1   28   37 f   69.404   16.519   14.479   7.6861   8.0299   10.706   21.339   11.041   58.057   22.986   80.752   23.732 -22.69496 33.03893 
1 1 1   -1   28   38 o   68.587   16.225   14.428   7.5824   6.7768   10.797   21.874   10.651   55.887   22.750   81.286   23.138 -25.39857 32.44901 
1 1 1   -1   28   39 o   80.612   13.146   18.716   7.6956  -4.9100   11.034   41.096   10.739   43.673   20.135  117.551   16.906 -73.87793 26.29140 
1 1 1   -1   28   40 o  233.076   10.325  153.031   13.004   0.0000   0.0000  153.031   13.004  ?   ?   233.076   10.325      ?      ? 
1 1 1   -1   28   41 o  174.015   13.061   88.093   12.282   0.0000   0.0000   88.093   12.282  ?   ?   174.015   13.061      ?      ? 
1 1 1   -1   28   42 o   44.302   14.320  -3.2488   7.6472  -0.6957   11.279  -5.4206   10.403   47.219   21.211   41.384   19.243 5.835270 28.63910 
1 1 1   -1   28   43 o   97.681   21.318   35.279   11.879   46.194   20.460   29.730   14.589  105.863   32.579   89.499   27.505 16.36407 42.63680 
1 1 1   -1   28   44 o   62.915   17.196   9.4622   10.865 -21.4212   18.052   27.004   13.605   43.960   21.631   81.871   26.737 -37.91103 34.39140 
1 1 1   -1   28   45 o   65.118   19.232   17.081   11.002   17.570   19.287   16.845   13.395   65.294   28.607   64.942   25.712 0.3517914 38.46390 
1 1 1   -1   28   46 o   46.912   14.637  -1.4057   7.7869 -11.6522   10.665   10.295   11.397   36.402   17.625   57.421   23.374 -21.01937 29.27382 
1 1 1   -1   28   47 o   59.855   16.247   13.388   7.5100   17.693   10.818   9.3837   10.434   66.029   23.761   53.681   22.165 12.34737 32.49416 
1 1 1   -1   29    1 o   44.805   19.135   0.2575   8.1993   0.0000   0.0000   0.2575   8.1993  ?   ?    44.805   19.135      ?      ? 
1 1 1   -1   29    2 o  283.871   7.6347  218.989   11.711   0.0000   0.0000  218.989   11.711  ?   ?   283.871   7.6347      ?      ? 
1 1 1   -1   29    3 o   56.837   20.172   8.0443   7.7715   0.0000   0.0000   8.0443   7.7715  ?   ?    56.837   20.172      ?      ? 
1 1 1   -1   29    4 o  106.948   14.271   31.539   8.2471   0.0000   0.0000   31.539   8.2471  ?   ?   106.948   14.271      ?      ? 
1 1 1   -1   29    5 o  218.965   8.5618  130.509   10.130   0.0000   0.0000  130.509   10.130  ?   ?   218.965   8.5618      ?      ? 
1 1 1   -1   29    6 o  228.597   8.1796  142.161   10.104   0.0000   0.0000  142.161   10.104  ?   ?   228.597   8.1796      ?      ? 
1 1 1   -1   29    7 o  127.253   11.696   44.377   8.0426   0.0000   0.0000   44.377   8.0426  ?   ?   127.253   11.696      ?      ? 
1 1 1   -1   29    8 o  169.274   9.6002   78.177   8.7814   0.0000   0.0000   78.177   8.7814  ?   ?   169.274   9.6002      ?      ? 
1 1 1   -1   29    9 o  279.888   7.4622  212.942   11.286   0.0000   0.0000  212.942   11.286  ?   ?   279.888   7.4622      ?      ? 
1 1 1   -1   29   10 o  163.758   8.9959   73.250   7.5277   75.405   13.028   72.170   9.2232  165.087   14.604  162.429   10.508 2.657745 17.99171 
1 1 1   -1   29   11 o  320.974   7.7504  281.513   12.739  284.685   21.864  279.883   15.675  321.631   12.580  320.317   9.0560 1.314087 15.50078 
1 1 1   -1   29   12 o  101.250   13.482   30.296   6.6060   27.185   11.840   31.703   7.9600   95.417   23.191  107.083   13.757 -11.66562 26.96420 
1 1 1   -1   29   13 o  211.854   8.2111  122.040   9.3361  104.439   12.551  143.840   13.969  194.840   11.921  228.868   11.295 -34.02809 16.42216 
1 1 1   -1   29   14 o  209.572   11.874  120.885   13.447   0.0000   0.0000  120.885   13.447  ?   ?   209.572   11.874      ?      ? 
1 1 1   -1   29   15 o   99.304   14.732   29.163   7.6421   29.824   10.516   28.424   11.125  100.809   20.011   97.800   21.625 3.007980 29.46312 
1 1 1   -1   29   16 o   47.545   14.814  -2.0000   7.3874  -3.6415   9.9801  -0.0104   10.987   44.454   19.962   50.637   21.894 -6.182915 29.62811 
1 1 1   -1   29   17 o  110.309   13.340   35.116   7.7481   37.700   10.830   32.406   11.089  115.668   17.327  104.950   20.288 10.71796 26.68041 
1 1 1   -1   29   18 o  101.462   14.866   30.476   8.1206   17.376   11.218   44.900   11.771   76.752   24.205  126.172   17.264 -49.41997 29.73143 
1 1 1   -1   29   19 o   70.086   24.836   13.387   11.776   0.0000   0.0000   13.387   11.776  ?   ?    70.086   24.836      ?      ? 
1 1 1   -1   29   20 o  180.446   10.082   88.097   9.5658   79.570   11.992  103.018   15.862  169.256   13.111  191.636   15.318 -22.38011 20.16307 
1 1 1   -1   29   21 o   59.475   15.752   5.8913   8.1761   16.024   10.182 -12.4978   13.717   73.383   23.049   45.567   21.477 27.81530 31.50465 
1 1 1   -1   29   22 o  126.832   12.404   46.091   8.4547   43.604   12.382   48.264   11.572  123.192   18.601  130.472   16.414 -7.280602 24.80743 
1 1 1   -1   29   23 o  263.052   10.711  190.977   15.225   0.0000   0.0000  190.977   15.225  ?   ?   263.052   10.711      ?      ? 
1 1 1   -1   29   24 o  157.928   14.494   70.150   12.369   0.0000   0.0000   70.150   12.369  ?   ?   157.928   14.494      ?      ? 
1 1 1   -1   29   25 o   66.027   16.588   12.078   7.4335   10.304   10.131   14.147   10.941   62.426   22.914   69.629   23.990 -7.203228 33.17520 
1 1 1   -1   29   26 o  121.139   12.905   43.234   8.0241   32.160   11.125   55.239   11.584  102.883   20.728  139.395   15.379 -36.51162 25.81022 
1 1 1   -1   29   27 o   82.187   15.575   21.107   7.7683   31.785   10.703   9.2188   11.293  102.566   20.029   61.808   23.858 40.75830 31.15084 
1 1 1   -1   29   28 o  146.135   15.326   60.854   12.102   0.0000   0.0000   60.854   12.102  ?   ?   146.135   15.326      ?      ? 
1 1 1   -1   29   29 o  150.777   10.184   64.201   8.2702   57.923   11.237   71.620   12.216  142.696   14.573  158.858   14.231 -16.16193 20.36884 
1 1 1   -1   29   30 o   84.628   15.618   23.012   7.8285   33.478   10.801   11.427   11.363  104.760   19.805   64.497   24.155 40.26354 31.23672 
1 1 1   -1   29   31 o  152.489   10.280   66.644   8.4252   58.779   11.861   74.653   11.969  142.896   15.361  162.081   13.666 -19.18491 20.56043 
1 1 1   -1   29   33 o  119.062   12.292   41.563   7.8891   38.207   10.758   45.467   11.603  113.825   17.491  124.299   17.275 -10.47338 24.58409 
1 1 1   -1   29   34 o   53.412   15.645   3.6089   7.6582  -2.1767   10.679   9.7345   10.988   45.899   20.627   60.925   23.529 -15.02550 31.29032 
1 1 1   -1   29   35 o  131.950   12.511   53.968   8.1575   71.573   11.403   35.512   11.675  158.133   13.344  105.766   21.167 52.36678 25.02197 
1 1 1   -1   29   36 o  132.036   16.683   51.711   11.903   0.0000   0.0000   51.711   11.903  ?   ?   132.036   16.683      ?      ? 
1 1 1   -1   29   37 o   72.710   16.831   17.155   7.8815   11.300   10.877   23.628   11.437   62.063   23.547   83.358   24.055 -21.29451 33.66172 
1 1 1   -1   29   38 o   68.995   16.577   16.123   7.7654   9.7432   11.405   21.637   10.603   59.051   23.613   78.939   23.272 -19.88798 33.15404 
1 1 1   -1   29   39 o  105.280   14.833   35.747   8.2586   48.064   12.278   25.572   11.160  124.683   18.224   85.877   23.408 38.80561 29.66606 
1 1 1   -1   29   40 o  105.757   17.688   46.505   10.588   19.905   20.722   55.902   12.317   75.266   31.170  136.248   16.729 -60.98180 35.37543 
1 1 1   -1   29   41 o   54.961   17.597   0.6953   11.341  -8.2455   18.923   5.7072   14.168   52.807   24.992   57.115   24.779 -4.308018 35.19326 
1 1 1   -1   29   42 o   48.878   16.411  -9.6764   11.093   10.986   18.418 -21.4392   13.897   60.513   27.149   37.243   18.446 23.27031 32.82283 
1 1 1   -1   29   43 o   58.195   16.774   10.367   9.0714   16.966   11.368  -1.2000   15.051   66.679   24.304   49.711   23.125 16.96851 33.54768 
1 1 1   -1   29   44 o   87.973   15.754   28.094   7.5783   33.177   10.847   23.247   10.592   97.272   21.232   78.674   23.280 18.59859 31.50787 
1 1 1   -1   29   45 o   45.753   14.394   1.6181   7.4775   8.1545   10.398  -5.3836   10.761   51.947   21.837   39.559   18.758 12.38754 28.78737 
1 1 1   -1   30    1 o  134.814   12.100   50.071   8.8145   0.0000   0.0000   50.071   8.8145  ?   ?   134.814   12.100      ?      ? 
1 1 1   -1   30    2 o  199.925   17.476  112.432   18.880   0.0000   0.0000  112.432   18.880  ?   ?   199.925   17.476      ?      ? 
1 1 1   -1   30    3 o   84.108   18.738   20.734   8.2983   0.0000   0.0000   20.734   8.2983  ?   ?    84.108   18.738      ?      ? 
1 1 1   -1   30    4 o  105.102   14.710   30.723   8.3546   0.0000   0.0000   30.723   8.3546  ?   ?   105.102   14.710      ?      ? 
1 1 1   -1   30    5 f   60.303   20.532   9.8249   8.0087   0.0000   0.0000   9.8249   8.0087  ?   ?    60.303   20.532      ?      ? 
1 1 1   -1   30    6 o  103.758   14.830   29.969   8.3147   0.0000   0.0000   29.969   8.3147  ?   ?   103.758   14.830      ?      ? 
1 1 1   -1   30    7 o  191.406   9.1467  100.137   9.4604   0.0000   0.0000  100.137   9.4604  ?   ?   191.406   9.1467      ?      ? 
1 1 1   -1   30    8 o  312.807   13.366  271.014   22.593   0.0000   0.0000  271.014   22.593  ?   ?   312.807   13.366      ?      ? 
1 1 1   -1   30    9 o  128.443   12.243   45.528   8.4975   0.0000   0.0000   45.528   8.4975  ?   ?   128.443   12.243      ?      ? 
1 1 1   -1   30   10 o  146.568   10.566   58.980   8.3682   0.0000   0.0000   58.980   8.3682  ?   ?   146.568   10.566      ?      ? 
1 1 1   -1   30   11 o  105.343   12.869   27.700   6.6942   45.135   12.654   20.925   7.8884  126.079   18.574   84.606   17.817 41.47334 25.73796 
1 1 1   -1   30   12 o  109.648   11.636   31.488   6.5810   42.072   11.626   26.497   7.9830  121.948   17.643   97.349   15.176 24.59834 23.27190 
1 1 1   -1   30   13 o   34.642   11.927 -13.3758   6.3108 -15.4144   11.673 -12.5340   7.5016   39.315   18.885   29.969   14.573 9.345304 23.85417 
1 1 1   -1   30   14 o  271.955   10.843  203.662   15.935   0.0000   0.0000  203.662   15.935  ?   ?   271.955   10.843      ?      ? 
1 1 1   -1   30   15 o   78.077   16.291   17.799   7.7580   9.9759   10.765   26.250   11.190   63.240   23.546   92.914   22.522 -29.67401 32.58257 
1 1 1   -1   30   16 o  142.845   10.934   58.475   8.2616   69.230   11.436   46.734   11.948  157.546   13.433  128.144   17.255 29.40257 21.86752 
1 1 1   -1   30   17 o   49.557   14.740  -1.9746   7.6175   8.8166   10.303 -14.9852   11.313   60.606   22.936   38.508   18.522 22.09803 29.48075 
1 1 1   -1   30   18 o  112.382   14.143   37.430   8.3019   44.644   11.782   30.316   11.700  125.032   17.439   99.732   22.272 25.29920 28.28693 
1 1 1   -1   30   19 o   74.289   17.415   16.635   8.1674   18.620   10.400   13.441   13.192   78.056   23.059   70.522   26.103 7.533760 34.82932 
1 1 1   -1   30   20 o  122.678   14.273   40.020   8.8052   29.271   10.671   62.950   15.587   98.356   20.732  147.001   19.622 -48.64476 28.54510 
1 1 1   -1   30   21 o   80.712   17.308   20.319   8.2129   18.968   11.480   21.734   11.754   78.217   24.459   83.206   24.496 -4.989716 34.61625 
1 1 1   -1   30   22 o   96.034   15.795   28.805   8.0273   30.821   10.790   26.307   12.012  100.752   20.517   91.316   24.021 9.435867 31.59048 
1 1 1   -1   30   23 o   75.435   16.530   17.656   7.5051   20.007   10.167   14.841   11.125   80.231   22.526   70.638   24.199 9.592896 33.06089 
1 1 1   -1   30   24 o   63.435   15.848   10.194   7.4824   18.018   10.176   0.9864   11.040   76.174   22.881   50.697   21.933 25.47757 31.69591 
1 1 1   -1   30   25 o  122.577   18.075   43.855   11.972   0.0000   0.0000   43.855   11.972  ?   ?   122.577   18.075      ?      ? 
1 1 1   -1   30   26 o   64.478   16.741   11.664   7.6436   12.055   10.453   11.215   11.205   64.846   23.355   64.110   23.992 0.7360001 33.48195 
1 1 1   -1   30   27 o  173.969   9.5489   85.695   8.9621   92.631   12.904   79.230   12.457  180.945   13.197  166.993   13.805 13.95279 19.09788 
1 1 1   -1   30   28 o  187.455   8.9903   99.156   9.0809   89.446   12.601  109.646   13.098  177.650   13.127  197.260   12.288 -19.61066 17.98067 
1 1 1   -1   30   29 o   86.639   15.854   24.439   7.6597   30.204   10.585   18.103   11.098   98.351   20.578   74.928   24.123 23.42339 31.70795 
1 1 1   -1   30   30 o   91.584   14.846   25.041   7.7278   12.968   10.217   41.180   11.813   65.612   23.147  117.556   18.596 -51.94447 29.69153 
1 1 1   -1   30   31 o   69.074   16.278   14.710   7.5947   20.853   10.283   7.3354   11.266   80.328   22.690   57.819   23.345 22.50846 32.55505 
1 1 1   -1   30   32 o   71.404   16.127   14.435   7.6629   5.1007   10.130   26.924   11.717   52.809   21.825   89.999   23.747 -37.18993 32.25322 
1 1 1   -1   30   33 o  128.232   12.124   49.097   8.3782   45.621   11.909   52.505   11.790  123.198   17.888  133.266   16.371 -10.06795 24.24894 
1 1 1   -1   30   34 f  111.478   13.869   38.743   8.1346   42.354   11.447   35.061   11.562  118.498   17.877  104.459   21.207 14.03965 27.73706 
1 1 1   -1   30   35 o  123.055   12.542   46.445   8.2910   40.970   11.644   52.075   11.808  114.819   18.768  131.292   16.643 -16.47274 25.08470 
1 1 1   -1   30   36 o   83.094   15.660   23.226   8.3152   7.7656   11.632   39.380   11.891   56.569   23.384  109.619   20.836 -53.05036 31.31987 
1 1 1   -1   30   37 o   63.092   19.433  -1.0538   12.657   26.802   21.254 -16.3581   15.754   81.737   32.379   44.448   21.496 37.28895 38.86531 
1 1 1   -1   30   38 o  135.241   19.305   66.492   13.670   54.505   20.491   76.104   18.349  117.436   31.597  153.046   22.187 -35.61037 38.60922 
1 1 1   -1   30   39 o  131.743   18.904   63.003   12.765   75.631   20.548   55.068   16.290  140.615   28.027  122.872   25.375 17.74349 37.80754 
1 1 1   -1   30   40 o   68.878   18.356   18.484   9.0724   13.066   11.347   28.086   15.105   59.639   23.648   78.116   28.081 -18.47685 36.71168 
1 1 1   -1   30   41 o   42.212   13.964  -4.7482   7.9612  -6.6889   11.473  -2.9458   11.056   41.169   19.476   43.255   20.017 -2.086182 27.92875 
1 1 1   -1   30   42 o  134.462   12.153   58.912   8.7015   51.390   12.643   65.682   11.994  123.946   18.877  144.978   15.310 -21.03161 24.30518 
1 1 1   -1   31    1 o  132.488   11.692   48.518   8.3702   0.0000   0.0000   48.518   8.3702  ?   ?   132.488   11.692      ?      ? 
1 1 1   -1   31    2 o  103.448   14.639   29.963   8.1833   0.0000   0.0000   29.963   8.1833  ?   ?   103.448   14.639      ?      ? 
1 1 1   -1   31    3 o   38.707   17.367  -2.7621   7.5384   0.0000   0.0000  -2.7621   7.5384  ?   ?    38.707   17.367      ?      ? 
1 1 1   -1   31    4 o   47.927   19.331   3.5789   7.7151   0.0000   0.0000   3.5789   7.7151  ?   ?    47.927   19.331      ?      ? 
1 1 1   -1   31    5 o   78.181   18.812   18.178   7.8511   0.0000   0.0000   18.178   7.8511  ?   ?    78.181   18.812      ?      ? 
1 1 1   -1   31    6 o  139.812   11.109   53.972   8.3929   0.0000   0.0000   53.972   8.3929  ?   ?   139.812   11.109      ?      ? 
1 1 1   -1   31    7 o   75.146   19.217   16.866   7.8339   0.0000   0.0000   16.866   7.8339  ?   ?    75.146   19.217      ?      ? 
1 1 1   -1   31    8 o  153.538   10.436   64.961   8.6582   0.0000   0.0000   64.961   8.6582  ?   ?   153.538   10.436      ?      ? 
1 1 1   -1   31    9 o  180.458   9.1981   89.362   8.9693   0.0000   0.0000   89.362   8.9693  ?   ?   180.458   9.1981      ?      ? 
1 1 1   -1   31   10 o  100.533   14.137   28.324   7.6801   0.0000   0.0000   28.324   7.6801  ?   ?   100.533   14.137      ?      ? 
1 1 1   -1   31   11 o   89.239   13.955   25.113   6.6322   16.336   10.538   30.871   8.5345   73.808   23.480  104.669   15.089 -30.86098 27.91037 
1 1 1   -1   31   12 o  185.731   8.2269   89.438   7.8136  115.293   14.059   77.883   9.3989  203.401   12.791  168.062   10.350 35.33878 16.45378 
1 1 1   -1   31   13 o  157.364   9.0656   67.922   7.3257   72.838   12.656   65.446   8.9837  160.857   14.560  153.872   10.805 6.984421 18.13117 
1 1 1   -1   31   14 f   43.240   13.531  -2.5811   5.8352   2.7770   10.396  -5.0458   7.0507   51.893   21.826   34.587   15.999 17.30590 27.06135 
1 1 1   -1   31   15 o   64.661   15.791   9.1529   7.3659   0.3896   9.7371   20.877   11.263   47.548   20.585   81.774   23.951 -34.22533 31.58136 
1 1 1   -1   31   16 o   98.091   14.707   28.738   7.9583   14.303   10.766   46.131   11.817   69.608   23.805  126.574   17.278 -56.96565 29.41397 
1 1 1   -1   31   17 o  146.298   11.205   61.115   8.8490   63.288   12.413   58.868   12.618  149.161   15.401  143.436   16.280 5.725067 22.41019 
1 1 1   -1   31   18 o   56.489   16.812   2.7375   8.3956  -0.7126   10.375   9.2838   14.291   47.559   20.906   65.420   26.336 -17.86060 33.62489 
1 1 1   -1   31   19 o  126.143   14.488   47.600   9.0605   47.523   11.158   47.748   15.524  128.857   16.025  123.429   24.141 5.427803 28.97539 
1 1 1   -1   31   20 o  182.528   9.8780   94.024   9.7093  105.270   14.083   83.836   13.404  193.182   13.491  171.875   14.432 21.30708 19.75593 
1 1 1   -1   31   21 o   87.512   16.163   24.957   8.0170   31.606   10.749   16.622   12.035  101.627   20.284   73.398   25.169 28.22836 32.32521 
1 1 1   -1   31   22 o  155.159   14.077   68.438   11.802   68.438   11.802   0.0000   0.0000  155.159   14.077  ?   ?       ?      ? 
1 1 1   -1   31   23 o  134.604   11.328   52.357   8.2362   51.409   11.446   53.376   11.860  133.420   15.876  135.788   16.164 -2.368805 22.65695 
1 1 1   -1   31   24 f  179.020   13.787   91.283   13.337   0.0000   0.0000   91.283   13.337  ?   ?   179.020   13.787      ?      ? 
1 1 1   -1   31   25 o  163.417   10.011   76.301   8.8182   74.484   11.998   78.436   13.005  161.571   13.742  165.263   14.563 -3.692795 20.02271 
1 1 1   -1   31   26 o  117.133   14.479   43.909   8.5678   59.903   11.943   26.952   12.298  143.916   15.358   90.351   24.550 53.56483 28.95756 
1 1 1   -1   31   27 o  117.073   13.429   41.545   8.2501   43.181   11.245   39.638   12.141  121.191   17.171  112.955   20.652 8.235977 26.85849 
1 1 1   -1   31   28 o   83.018   16.847   22.684   7.9174   22.009   10.602   23.536   11.905   82.063   22.989   83.972   24.633 -1.909180 33.69421 
1 1 1   -1   31   29 o  124.806   12.611   47.689   8.1117   55.809   11.233   38.839   11.726  138.433   15.017  111.178   20.265 27.25463 25.22251 
1 1 1   -1   31   30 f  152.952   15.237   68.367   12.594   0.0000   0.0000   68.367   12.594  ?   ?   152.952   15.237      ?      ? 
1 1 1   -1   31   31 o  170.837   9.9231   85.013   9.1120   92.070   12.691   77.503   13.091  178.921   13.126  162.754   14.885 16.16684 19.84619 
1 1 1   -1   31   32 o   73.852   17.290   19.198   8.0970   21.233   11.118   16.901   11.815   77.770   24.030   69.934   24.867 7.835701 34.58051 
1 1 1   -1   31   33 o   61.302   16.495   9.6104   8.2917   19.885   11.880  -0.1483   11.578   74.663   25.009   47.941   21.516 26.72199 32.99069 
1 1 1   -1   31   34 o   58.746   18.696  -0.4716   13.440 -19.9437   21.174   12.667   17.393   50.543   24.556   66.950   28.198 -16.40677 37.39186 
1 1 1   -1   31   35 o  125.113   18.886   51.248   13.581   99.550   22.053   21.739   17.238  173.313   23.548   76.914   29.532 96.39892 37.77125 
1 1 1   -1   31   36 o   61.703   19.201   8.6261   12.414   5.5586   19.300   10.791   16.212   60.670   27.453   62.735   26.853 -2.064518 38.40264 
1 1 1   -1   31   37 o   56.910   17.124   4.4841   9.0410  -4.9955   10.947   24.820   16.034   40.696   19.183   73.125   28.372 -32.42973 34.24799 
1 1 1   -1   31   38 o   52.803   15.627   6.4428   7.7886   11.945   10.757   0.3784   11.292   59.306   23.175   46.301   20.971 13.00534 31.25450 
1 1 1   -1   31   39 o   57.369   15.972   10.060   7.7060   16.373   10.666   3.1659   11.146   66.098   23.614   48.640   21.512 17.45784 31.94309 
1 1 1   -1   31   40 o  106.264   14.605   40.429   8.0814   42.913   11.461   37.973   11.397  110.519   19.923  102.010   21.361 8.508789 29.21004 
1 1 1   -1   32    1 o  105.243   13.952   31.169   7.9345   0.0000   0.0000   31.169   7.9345  ?   ?   105.243   13.952      ?      ? 
1 1 1   -1   32    2 o  111.453   13.784   34.927   8.3013   0.0000   0.0000   34.927   8.3013  ?   ?   111.453   13.784      ?      ? 
1 1 1   -1   32    3 o  221.924   16.155  140.541   19.373   0.0000   0.0000  140.541   19.373  ?   ?   221.924   16.155      ?      ? 
1 1 1   -1   32    4 o  203.066   16.726  118.171   18.353   0.0000   0.0000  118.171   18.353  ?   ?   203.066   16.726      ?      ? 
1 1 1   -1   32    5 o  187.242   9.9186   96.761   10.036   0.0000   0.0000   96.761   10.036  ?   ?   187.242   9.9186      ?      ? 
1 1 1   -1   32    6 o   44.779   18.694   2.0727   7.5403   0.0000   0.0000   2.0727   7.5403  ?   ?    44.779   18.694      ?      ? 
1 1 1   -1   32    7 o   61.074   20.258   10.773   7.7987   0.0000   0.0000   10.773   7.7987  ?   ?    61.074   20.258      ?      ? 
1 1 1   -1   32    8 o   99.202   15.030   27.926   8.0570   0.0000   0.0000   27.926   8.0570  ?   ?    99.202   15.030      ?      ? 
1 1 1   -1   32    9 o   43.810   18.114   2.3097   6.9819   0.0000   0.0000   2.3097   6.9819  ?   ?    43.810   18.114      ?      ? 
1 1 1   -1   32   10 o   74.709   18.250   16.794   7.3045   0.0000   0.0000   16.794   7.3045  ?   ?    74.709   18.250      ?      ? 
1 1 1   -1   32   11 o   49.323   19.737   4.4283   7.9735   0.0000   0.0000   4.4283   7.9735  ?   ?    49.323   19.737      ?      ? 
1 1 1   -1   32   12 o  125.861   10.987   45.915   7.0026   42.860   11.957   47.510   8.6392  121.367   18.232  130.356   12.265 -8.989288 21.97302 
1 1 1   -1   32   13 o  104.289   13.536   34.031   6.9933   26.959   11.553   38.121   8.7858   92.478   23.168  116.100   14.004 -23.62158 27.07145 
1 1 1   -1   32   14 o   67.155   13.603   13.944   6.6166  -4.8378   11.360   23.587   8.1398   45.469   20.764   88.841   17.578 -43.37201 27.20555 
1 1 1   -1   32   15 o   93.501   14.141   24.593   6.3942   32.815   12.151   21.444   7.5195  102.224   22.599   84.778   17.006 17.44586 28.28238 
1 1 1   -1   32   16 o  131.096   12.058   50.987   8.3211   57.664   11.167   42.652   12.477  142.220   14.531  119.971   19.246 22.24855 24.11580 
1 1 1   -1   32   17 o  258.188   14.309  190.000   19.963   0.0000   0.0000  190.000   19.963  ?   ?   258.188   14.309      ?      ? 
1 1 1   -1   32   18 o   80.802   17.607   17.627   8.3921   9.9184   10.170   34.077   14.857   60.786   22.835  100.819   26.807 -40.03276 35.21492 
1 1 1   -1   32   19 o  151.391   11.405   66.649   9.3097   63.514   13.363   69.606   12.977  147.502   16.766  155.279   15.466 -7.776718 22.80975 
1 1 1   -1   32   20 o   51.165   15.560   2.1917   7.7478   1.6165   10.583   2.8561   11.374   49.764   21.502   52.565   22.496 -2.801727 31.11923 
1 1 1   -1   32   21 o   79.835   16.893   20.968   7.9033   22.994   10.504   18.323   11.999   84.461   22.580   75.209   25.134 9.251511 33.78687 
1 1 1   -1   32   22 o   64.646   16.615   12.226   7.4658   12.015   9.9473   12.498   11.298   63.808   22.803   65.483   24.172 -1.674168 33.23073 
1 1 1   -1   32   23 o   51.837   15.585   2.8654   7.5627   0.9092   9.9642   5.5235   11.615   47.691   20.735   55.983   23.273 -8.291859 31.16990 
1 1 1   -1   32   24 o   54.630   15.974   5.5506   7.6930   6.8757   10.356   3.9188   11.492   55.698   22.420   53.561   22.759 2.137333 31.94707 
1 1 1   -1   32   25 o   99.283   15.816   32.345   8.3063   36.444   11.508   27.888   12.001  107.375   20.584   91.191   24.020 16.18398 31.63293 
1 1 1   -1   32   26 o  106.745   14.720   37.254   8.1432   45.228   10.934   27.322   12.203  123.698   16.358   89.793   24.478 33.90576 29.44042 
1 1 1   -1   32   27 o   76.376   16.592   19.774   7.6253   22.530   10.109   16.136   11.614   82.631   22.177   70.121   24.685 12.50963 33.18368 
1 1 1   -1   32   28 o   47.231   14.984  -0.6023   7.8893  -1.1337   10.598   0.0581   11.815   45.599   20.515   48.863   21.846 -3.263443 29.96836 
1 1 1   -1   32   29 o   45.664   14.666  -1.7167   7.8177  -2.1735   10.428  -1.1306   11.812   43.967   20.007   47.360   21.450 -3.393051 29.33203 
1 1 1   -1   32   30 o   80.807   22.322   22.704   14.384   42.117   22.882   10.020   18.496   96.711   34.583   64.904   28.235 31.80732 44.64495 
1 1 1   -1   32   31 o   65.472   19.640   4.6865   14.030 -21.9752   21.178   25.541   18.730   49.833   24.289   81.111   30.869 -31.27814 39.27961 
1 1 1   -1   32   32 o   90.900   21.489   33.124   13.922   15.173   20.717   47.905   18.799   70.848   30.341  110.951   30.439 -40.10337 42.97796 
1 1 1   -1   32   33 f   54.051   17.954  -4.5250   13.245   4.0563   19.973 -11.2613   17.696   59.556   27.322   48.546   23.301 11.01015 35.90884 
1 1 1   -1   32   34 o   69.510   15.830   15.172   8.3984  -1.2887   11.374   34.909   12.454   44.178   20.394   94.841   24.216 -50.66337 31.66012 
1 1 1   -1   32   35 o   92.409   16.892   31.653   8.4749   28.674   11.412   35.316   12.655   87.713   23.572   97.105   24.203 -9.391518 33.78490 
1 1 1   -1   32   36 o   34.881   12.108 -15.7018   7.7883 -14.6001   10.367 -17.1295   11.801   34.088   16.696   35.673   17.541 -1.584724 24.21642 
1 1 1   -1   32   37 o   77.486   17.090   24.830   8.1639   28.894   11.079   20.003   12.076   86.185   23.253   68.787   25.052 17.39780 34.18085 
1 1 1   -1   33    1 o   65.582   20.531   13.023   8.0862   0.0000   0.0000   13.023   8.0862  ?   ?    65.582   20.531      ?      ? 
1 1 1   -1   33    2 o   69.253   20.080   14.702   7.9524   0.0000   0.0000   14.702   7.9524  ?   ?    69.253   20.080      ?      ? 
1 1 1   -1   33    3 o   60.865   20.441   10.832   7.9363   0.0000   0.0000   10.832   7.9363  ?   ?    60.865   20.441      ?      ? 
1 1 1   -1   33    4 o  176.674   9.6940   86.380   9.2547   0.0000   0.0000   86.380   9.2547  ?   ?   176.674   9.6940      ?      ? 
1 1 1   -1   33    5 o  160.126   10.366   71.213   8.9695   0.0000   0.0000   71.213   8.9695  ?   ?   160.126   10.366      ?      ? 
1 1 1   -1   33    6 f  207.034   9.3583  118.473   10.469   0.0000   0.0000  118.473   10.469  ?   ?   207.034   9.3583      ?      ? 
1 1 1   -1   33    7 o   30.531   14.786 -11.2229   7.5193   0.0000   0.0000 -11.2229   7.5193  ?   ?    30.531   14.786      ?      ? 
1 1 1   -1   33    8 o   42.073   18.229   0.2332   7.6481   0.0000   0.0000   0.2332   7.6481  ?   ?    42.073   18.229      ?      ? 
1 1 1   -1   33    9 o  134.798   11.395   50.831   8.2998   0.0000   0.0000   50.831   8.2998  ?   ?   134.798   11.395      ?      ? 
1 1 1   -1   33   10 o   81.892   17.474   20.257   7.4969   0.0000   0.0000   20.257   7.4969  ?   ?    81.892   17.474      ?      ? 
1 1 1   -1   33   11 o   96.819   14.988   26.933   7.8414   0.0000   0.0000   26.933   7.8414  ?   ?    96.819   14.988      ?      ? 
1 1 1   -1   33   12 o  179.903   9.0114   89.495   8.7603   0.0000   0.0000   89.495   8.7603  ?   ?   179.903   9.0114      ?      ? 
1 1 1   -1   33   13 o  131.125   10.391   46.510   7.0622   60.203   12.294   39.766   8.6279  144.071   15.791  118.180   13.511 25.89071 20.78216 
1 1 1   -1   33   14 o   68.611   12.518   14.978   6.3029  -5.7477   10.813   25.643   7.7569   43.010   19.866   94.212   15.237 -51.20253 25.03607 
1 1 1   -1   33   15 o   58.225   15.406   5.2263   6.5617   18.268   11.745  -0.6912   7.9115   75.129   24.857   41.321   18.207 33.80845 30.81188 
1 1 1   -1   33   16 o  151.678   10.144   63.650   7.9312   73.829   13.785   58.613   9.6969  159.351   16.009  144.005   12.461 15.34528 20.28734 
1 1 1   -1   33   17 o   53.575   16.304   2.8985   8.4564   4.3004   10.867   0.7466   13.464   53.390   22.378   53.760   23.716 -0.3701591 32.60752 
1 1 1   -1   33   18 o   78.689   17.726   20.222   8.5474   24.504   12.556   16.523   11.668   85.466   25.359   71.912   24.775 13.55358 35.45240 
1 1 1   -1   33   19 o  105.903   14.752   36.376   8.1703   47.220   11.262   24.326   11.871  126.651   16.456   85.155   24.489 41.49561 29.50407 
1 1 1   -1   33   20 o  133.433   13.385   54.934   8.7681   80.055   12.842   32.996   12.001  166.359   14.285  100.507   22.640 65.85220 26.77048 
1 1 1   -1   33   21 o   76.301   16.879   19.247   8.1998   26.704   11.432   11.344   11.768   89.527   23.378   63.076   24.352 26.45028 33.75741 
1 1 1   -1   33   22 f  112.092   14.343   39.386   8.4661   40.465   11.589   38.151   12.398  115.481   18.571  108.703   21.864 6.778671 28.68665 
1 1 1   -1   33   23 o  174.195   9.6185   85.740   8.9415   74.469   11.595  102.274   14.044  160.610   13.361  187.781   13.840 -27.17130 19.23691 
1 1 1   -1   33   24 f   93.504   16.226   29.354   8.0966   25.427   10.698   34.618   12.388   86.316   22.651  100.691   23.239 -14.37511 32.45195 
1 1 1   -1   33   25 o   84.697   16.717   24.510   8.6078   12.989   11.691   38.151   12.721   63.605   24.345  105.790   22.916 -42.18499 33.43351 
1 1 1   -1   33   26 o   78.311   22.299   23.718   14.392   25.000   22.078   22.770   18.980   79.324   32.438   77.298   30.605 2.026207 44.59706 
1 1 1   -1   33   27 o   62.403   19.352   4.3386   13.566 -14.2568   21.239   17.153   17.631   53.112   25.502   71.693   29.115 -18.58095 38.70456 
1 1 1   -1   33   28 o  117.966   22.158   54.034   14.478   66.059   21.551   44.144   19.545  131.300   30.891  104.632   31.774 26.66843 44.31557 
1 1 1   -1   33   29 o   87.764   22.493   33.250   14.023   26.779   20.290   39.167   19.403   80.038   31.658   95.491   31.961 -15.45273 44.98626 
1 1 1   -1   33   30 o   46.159   15.387  -3.1112   9.2062  -0.7089   10.655 -10.1869   18.286   44.108   20.130   48.209   23.278 -4.101604 30.77453 
1 1 1   -1   33   31 o  119.462   13.920   48.913   8.6500   51.584   11.671   45.657   12.885  126.401   17.086  112.522   21.980 13.87916 27.84024 
1 1 1   -1   33   32 o   50.128   15.314   1.5980   8.0091  -7.2728   10.774   12.557   11.974   39.475   18.733   60.781   24.232 -21.30511 30.62866 
1 1 1   -1   33   33 o   50.396   15.523   4.9931   7.9438   6.3458   10.649   3.2957   11.929   51.332   21.862   49.459   22.043 1.873215 31.04573 
1 1 1   -1   33   34 o   60.586   16.990   13.970   8.3508   9.9060   11.347   18.772   12.334   54.715   22.895   66.457   25.108 -11.74281 33.97981 
1 1 1   -1   34    1 o  129.440   12.207   47.282   8.5385   0.0000   0.0000   47.282   8.5385  ?   ?   129.440   12.207      ?      ? 
1 1 1   -1   34    2 o  144.490   11.218   58.525   8.7591   0.0000   0.0000   58.525   8.7591  ?   ?   144.490   11.218      ?      ? 
1 1 1   -1   34    3 o  100.095   15.313   28.960   8.2826   0.0000   0.0000   28.960   8.2826  ?   ?   100.095   15.313      ?      ? 
1 1 1   -1   34    4 o   42.492   18.445   0.3247   7.8589   0.0000   0.0000   0.3247   7.8589  ?   ?    42.492   18.445      ?      ? 
1 1 1   -1   34    5 o   59.556   20.385   10.445   7.8945   0.0000   0.0000   10.445   7.8945  ?   ?    59.556   20.385      ?      ? 
1 1 1   -1   34    6 o   63.590   20.269   12.369   7.8499   0.0000   0.0000   12.369   7.8499  ?   ?    63.590   20.269      ?      ? 
1 1 1   -1   34    7 o   58.411   20.344   9.8943   7.8781   0.0000   0.0000   9.8943   7.8781  ?   ?    58.411   20.344      ?      ? 
1 1 1   -1   34    8 f   48.606   19.298   4.8619   7.5659   0.0000   0.0000   4.8619   7.5659  ?   ?    48.606   19.298      ?      ? 
1 1 1   -1   34    9 o   74.100   19.425   17.134   7.8730   0.0000   0.0000   17.134   7.8730  ?   ?    74.100   19.425      ?      ? 
1 1 1   -1   34   10 o   38.490   17.149  -1.4654   7.2134   0.0000   0.0000  -1.4654   7.2134  ?   ?    38.490   17.149      ?      ? 
1 1 1   -1   34   11 o   36.726   16.891  -4.1639   7.6994   0.0000   0.0000  -4.1639   7.6994  ?   ?    36.726   16.891      ?      ? 
1 1 1   -1   34   12 o   43.556   18.654   1.4039   7.8313   0.0000   0.0000   1.4039   7.8313  ?   ?    43.556   18.654      ?      ? 
1 1 1   -1   34   13 o   75.920   18.998   18.125   7.7749   0.0000   0.0000   18.125   7.7749  ?   ?    75.920   18.998      ?      ? 
1 1 1   -1   34   14 o  169.672   9.3302   83.182   7.9984   80.450   13.849   84.549   9.7976  165.739   15.464  173.605   10.444 -7.866165 18.66033 
1 1 1   -1   34   15 o  147.689   10.384   63.119   7.9903   64.459   13.174   62.338   10.050  147.539   16.524  147.839   12.580 -0.2999878 20.76777 
1 1 1   -1   34   16 o  102.833   16.422   36.251   9.1501   43.941   12.058   25.811   14.050  120.331   18.544   85.335   27.108 34.99591 32.84389 
1 1 1   -1   34   17 o   41.217   13.353  -4.6709   6.4457   0.9649   10.691  -7.8895   8.0793   48.300   21.227   34.133   16.205 14.16689 26.70548 
1 1 1   -1   34   18 o   58.349   16.476   8.5951   7.7069   6.0694   9.8929   12.494   12.292   52.814   21.669   63.884   24.826 -11.07047 32.95281 
1 1 1   -1   34   19 o   90.756   15.870   27.304   8.0514   16.983   10.707   40.736   12.214   70.144   23.741  111.369   21.068 -41.22484 31.74084 
1 1 1   -1   34   20 f   71.067   15.552   11.970   8.2453  -4.3413   10.837   34.394   12.706   42.875   19.833   99.259   23.962 -56.38400 31.10493 
1 1 1   -1   34   21 o   65.733   20.425   6.7559   11.512   25.270   25.122   1.8345   12.952   79.413   33.693   52.052   23.097 27.36055 40.84916 
1 1 1   -1   34   22 o   56.787   19.148 -15.2266   16.259   6.0338   24.509 -31.9369   21.728   66.632   30.456   46.942   23.217 19.69020 38.29644 
1 1 1   -1   34   23 o  136.329   22.709   72.347   16.350   75.203   24.819   70.158   21.733  136.094   33.880  136.563   30.248 -0.4696808 45.41846 
1 1 1   -1   34   24 o   54.850   18.447 -10.2119   14.696  -3.4640   22.484 -15.2455   19.419   59.489   27.867   50.211   24.180 9.277454 36.89451 
1 1 1   -1   34   25 o   65.343   20.265   11.936   13.707   14.613   19.898   9.5180   18.909   67.608   29.348   63.078   27.952 4.529541 40.52914 
1 1 1   -1   34   26 o   40.916   13.775 -10.8679   8.2303 -20.3399   10.702   2.8448   12.876   31.867   15.852   49.966   22.534 -18.09987 27.55079 
1 1 1   -1   34   27 o  126.684   12.257   51.767   8.3616   46.551   11.402   57.837   12.299  119.399   17.672  133.968   16.990 -14.56847 24.51426 
1 1 1   -1   34   28 o   72.193   17.446   20.035   8.2234   22.270   11.602   17.779   11.658   75.992   24.684   68.395   24.660 7.596718 34.89136 
1 1 1   -1   34   29 f   45.425   14.510  -0.5283   7.8001   4.7014   10.712  -6.4308   11.380   49.853   21.587   40.997   19.396 8.855572 29.02072 
1 1 1   -1   34   30 o  117.317   13.668   47.273   8.3546   49.764   11.306   44.277   12.400  123.873   16.891  110.760   21.493 13.11373 27.33582 
1 1 1   -1   35    1 o  226.061   8.9775  142.016   10.966   0.0000   0.0000  142.016   10.966  ?   ?   226.061   8.9775      ?      ? 
1 1 1   -1   35    2 o   89.427   17.636   24.586   8.2196   0.0000   0.0000   24.586   8.2196  ?   ?    89.427   17.636      ?      ? 
1 1 1   -1   35    3 o  176.558   9.9091   87.170   9.4538   0.0000   0.0000   87.170   9.4538  ?   ?   176.558   9.9091      ?      ? 
1 1 1   -1   35    4 o   76.183   19.802   18.510   8.2269   0.0000   0.0000   18.510   8.2269  ?   ?    76.183   19.802      ?      ? 
1 1 1   -1   35    5 o   45.012   19.067   2.3030   8.0259   0.0000   0.0000   2.3030   8.0259  ?   ?    45.012   19.067      ?      ? 
1 1 1   -1   35    6 o   49.166   19.799   5.0529   8.0801   0.0000   0.0000   5.0529   8.0801  ?   ?    49.166   19.799      ?      ? 
1 1 1   -1   35    7 o   44.967   19.061   2.3571   8.0285   0.0000   0.0000   2.3571   8.0285  ?   ?    44.967   19.061      ?      ? 
1 1 1   -1   35    8 o   95.340   17.407   28.036   8.6375   0.0000   0.0000   28.036   8.6375  ?   ?    95.340   17.407      ?      ? 
1 1 1   -1   35    9 o   75.919   20.141   18.796   8.3987   0.0000   0.0000   18.796   8.3987  ?   ?    75.919   20.141      ?      ? 
1 1 1   -1   35   10 o   90.787   16.863   25.504   7.9682   0.0000   0.0000   25.504   7.9682  ?   ?    90.787   16.863      ?      ? 
1 1 1   -1   35   11 o   61.051   20.805   11.998   8.2234   0.0000   0.0000   11.998   8.2234  ?   ?    61.051   20.805      ?      ? 
1 1 1   -1   35   12 o  157.982   10.643   70.868   9.0854   0.0000   0.0000   70.868   9.0854  ?   ?   157.982   10.643      ?      ? 
1 1 1   -1   35   13 o   65.714   20.439   14.229   8.0290   0.0000   0.0000   14.229   8.0290  ?   ?    65.714   20.439      ?      ? 
1 1 1   -1   35   14 o   64.727   21.364   13.760   8.6777   0.0000   0.0000   13.760   8.6777  ?   ?    64.727   21.364      ?      ? 
1 1 1   -1   35   15 o   92.181   18.887   31.231   9.9422   32.117   13.197   30.068   15.119   95.166   25.247   89.195   28.098 5.970825 37.77416 
1 1 1   -1   35   16 f   64.522   22.615   13.498   9.7428   0.0000   0.0000   13.498   9.7428  ?   ?    64.522   22.615      ?      ? 
1 1 1   -1   35   17 o  142.852   14.810   60.054   11.432   0.0000   0.0000   60.054   11.432  ?   ?   142.852   14.810      ?      ? 
1 1 1   -1   35   18 o  138.125   15.934   56.966   11.893   0.0000   0.0000   56.966   11.893  ?   ?   138.125   15.934      ?      ? 
1 1 1   -1   35   19 o   82.393   23.038   27.709   16.323   11.385   23.609   42.658   22.593   68.267   30.675   96.519   34.380 -28.25125 46.07524 
1 1 1   -1   35   20 o   97.730   21.032   39.445   16.915  -6.3266   24.589   80.563   23.306   57.230   27.469  138.230   31.856 -81.00009 42.06336 
1 1 1   -1   35   21 o   61.637   18.981   12.767   10.831   11.543   12.500   16.453   21.695   58.436   24.205   64.837   29.244 -6.401619 37.96173 
1 1 1   -1   35   22 o   46.702   14.664  -3.0950   8.1211 -16.4795   11.034   12.723   11.996   34.080   16.797   59.324   24.042 -25.24483 29.32815 
1 1 1   -1   35   23 o   57.473   16.081   7.1870   8.0389  -2.7746   10.560   20.913   12.396   42.372   19.592   72.575   25.506 -30.20368 32.16231 
1 1 1   -1   35   24 o  101.583   15.792   36.738   8.7439   25.814   12.163   48.423   12.579   81.547   25.122  121.618   19.141 -40.07057 31.58352 
1 1 1   -1   35   25 o  101.192   15.879   37.172   8.4768   32.040   11.692   42.861   12.308   92.322   23.404  110.062   21.466 -17.74045 31.75748 
1 1 1   -1   35   26 o   52.918   16.111   7.3222   8.5253   2.0636   11.964   12.747   12.151   47.265   21.477   58.572   24.022 -11.30647 32.22296 
1 1 1   -1   36    1 o   65.207   21.048   13.853   8.4445   0.0000   0.0000   13.853   8.4445  ?   ?    65.207   21.048      ?      ? 
1 1 1   -1   36    2 o   93.023   17.580   26.925   8.5128   0.0000   0.0000   26.925   8.5128  ?   ?    93.023   17.580      ?      ? 
1 1 1   -1   36    3 o   37.108   17.263  -5.1189   8.3894   0.0000   0.0000  -5.1189   8.3894  ?   ?    37.108   17.263      ?      ? 
1 1 1   -1   36    4 o   72.809   20.557   17.400   8.4424   0.0000   0.0000   17.400   8.4424  ?   ?    72.809   20.557      ?      ? 
1 1 1   -1   36    5 o  116.077   13.882   39.273   8.7077   0.0000   0.0000   39.273   8.7077  ?   ?   116.077   13.882      ?      ? 
1 1 1   -1   36    6 o  125.897   13.091   45.814   8.9057   0.0000   0.0000   45.814   8.9057  ?   ?   125.897   13.091      ?      ? 
1 1 1   -1   36    7 o  156.348   11.234   69.435   9.4913   0.0000   0.0000   69.435   9.4913  ?   ?   156.348   11.234      ?      ? 
1 1 1   -1   36    8 o   86.577   20.971   24.633   9.7069   0.0000   0.0000   24.633   9.7069  ?   ?    86.577   20.971      ?      ? 
1 1 1   -1   36    9 o   37.277   17.394  -5.5289   8.6185   0.0000   0.0000  -5.5289   8.6185  ?   ?    37.277   17.394      ?      ? 
1 1 1   -1   36   10 o   40.609   18.761  -4.3176   9.6527   0.0000   0.0000  -4.3176   9.6527  ?   ?    40.609   18.761      ?      ? 
1 1 1   -1   36   11 o   36.164   17.583 -14.3106   10.908   0.0000   0.0000 -14.3106   10.908  ?   ?    36.164   17.583      ?      ? 
1 1 1   -1   36   12 o   92.437   22.954   30.104   11.413   0.0000   0.0000   30.104   11.413  ?   ?    92.437   22.954      ?      ? 
1 1 1   -1   36   13 o   53.420   23.357   5.7770   12.798   0.0000   0.0000   5.7770   12.798  ?   ?    53.420   23.357      ?      ? 
1 1 1   -1   36   15 o   48.172   20.953   4.5655   10.184   0.0000   0.0000   4.5655   10.184  ?   ?    48.172   20.953      ?      ? 
1 1 1   -1   36   16 o   72.764   15.926   20.234   8.4789   3.6892   12.869   32.926   11.271   50.604   22.699   94.924   22.345 -44.32004 31.85180 
1 1 1   -1   36   17 o  139.134   10.879   54.456   7.7883   78.941   13.845   43.120   9.4203  159.228   16.091  119.040   14.645 40.18759 21.75727 
1 1 1   -1   36   18 o   43.959   14.378  -6.2086   7.3001   7.8153   13.368 -12.1672   8.7140   56.050   24.193   31.867   15.543 24.18330 28.75548 
1 1 1   -1   36   19 o   61.250   16.771   12.151   7.4383   18.498   13.321   9.2748   8.9664   68.181   26.013   54.320   21.177 13.86021 33.54296 
1 1 1   -1   36   20 o   87.501   16.558   30.717   8.4860   38.979   11.479   20.762   12.601  104.715   21.018   70.286   25.592 34.42854 33.11665 
1 1 1   -1   36   21 o   82.540   17.464   28.992   8.8134   35.074   11.911   21.634   13.102   95.179   23.338   69.901   25.985 25.27853 34.92712 
1 1 1   -1   37    1 o   54.343   24.404   5.9189   14.918   0.0000   0.0000   5.9189   14.918  ?   ?    54.343   24.404      ?      ? 
1 1 1   -1   37    3 o   66.343   26.898   17.773   15.022   0.0000   0.0000   17.773   15.022  ?   ?    66.343   26.898      ?      ? 
1 1 1   -1   37    4 o   72.224   25.896   21.202   12.838   0.0000   0.0000   21.202   12.838  ?   ?    72.224   25.896      ?      ? 
1 1 1   -1   37    5 o   67.393   24.960   17.501   12.066   0.0000   0.0000   17.501   12.066  ?   ?    67.393   24.960      ?      ? 
1 1 1   -1   37    6 o   34.511   16.998 -17.4024   11.238   0.0000   0.0000 -17.4024   11.238  ?   ?    34.511   16.998      ?      ? 
1 1 1   -1   37    7 o   48.874   21.739   2.5592   11.540   0.0000   0.0000   2.5592   11.540  ?   ?    48.874   21.739      ?      ? 
1 1 1   -1   37    8 o   59.793   23.813   11.898   11.553   0.0000   0.0000   11.898   11.553  ?   ?    59.793   23.813      ?      ? 
1 1 1   -1   37    9 o   38.975   18.658  -9.1543   11.183   0.0000   0.0000  -9.1543   11.183  ?   ?    38.975   18.658      ?      ? 
1 1 1   -1   37   10 o   37.725   17.441  -3.1881   8.3625   0.0000   0.0000  -3.1881   8.3625  ?   ?    37.725   17.441      ?      ? 
1 1 1   -1   37   11 o  146.067   12.558   63.406   9.9120   0.0000   0.0000   63.406   9.9120  ?   ?   146.067   12.558      ?      ? 
1 1 1   -1   37   12 o   29.997   14.877 -16.8113   9.1510   0.0000   0.0000 -16.8113   9.1510  ?   ?    29.997   14.877      ?      ? 
1 1 1   -1   37   13 o   51.612   22.810   6.1224   12.511   0.0000   0.0000   6.1224   12.511  ?   ?    51.612   22.810      ?      ? 
1 1 1   -1   37   14 o   32.257   15.490  -7.4276   7.8410   0.0000   0.0000  -7.4276   7.8410  ?   ?    32.257   15.490      ?      ? 
1 1 1    0    0    3 o  1649.63   19.533  7362.42  246.079  7362.42  246.079  7362.42  246.079  1649.63   27.623  1649.63   27.623 0.000000 0.000000 
1 1 1    0    0    4 o  2441.92   28.831 16147.15  537.678 16147.15  537.678 16147.15  537.678  2441.92   40.773  2441.92   40.773 0.000000 0.000000 
1 1 1    0    0    5 o  192.901   3.2439  100.710   4.7759  100.710   4.7759  100.710   4.7759  192.901   4.5876  192.901   4.5876 0.000000 0.000000 
1 1 1    0    0    6 o  401.806   5.2545  436.701   16.122  436.701   16.122  436.701   16.122  401.806   7.4309  401.806   7.4309 0.000000 0.000000 
1 1 1    0    0    7 o  173.077   3.1527   81.100   4.1637   81.100   4.1637   81.100   4.1637  173.077   4.4586  173.077   4.4586 0.000000 0.000000 
1 1 1    0    0    8 o  228.939   3.5998  141.828   6.2909  141.828   6.2909  141.828   6.2909  228.939   5.0908  228.939   5.0908 0.000000 0.000000 
1 1 1    0    0    9 o  789.718   9.5757  1687.06   57.751  1687.06   57.751  1687.06   57.751  789.718   13.542  789.718   13.542 0.000000 0.000000 
1 1 1    0    0   10 o  1946.68   23.053 10271.66  342.730 10271.66  342.730 10271.66  342.730  1946.68   32.602  1946.68   32.602 0.000000 0.000000 
1 1 1    0    0   11 o  923.534   11.121  2307.79   78.436  2307.79   78.436  2307.79   78.436  923.534   15.727  923.534   15.727 0.000000 0.000000 
1 1 1    0    0   12 o  763.065   9.2837  1575.14   54.100  1575.14   54.100  1575.14   54.100  763.065   13.129  763.065   13.129 0.000000 0.000000 
1 1 1    0    0   13 f  1142.92   13.654  3534.74  119.183  3534.74  119.183  3534.74  119.183  1142.92   19.310  1142.92   19.310 0.000000 0.000000 
1 1 1    0    0   14 o  632.408   7.8214  1081.81   37.773  1081.81   37.773  1081.81   37.773  632.408   11.061  632.408   11.061 0.000000 0.000000 
1 1 1    0    0   15 o  844.095   10.216  1927.54   65.856  1927.54   65.856  1927.54   65.856  844.095   14.448  844.095   14.448 0.000000 0.000000 
1 1 1    0    0   16 f   92.297   3.7548   23.245   2.6283   23.245   2.6283   23.245   2.6283   92.297   5.3101   92.297   5.3101 0.000000 0.000000 
1 1 1    0    0   17 o  670.395   8.2641  1215.81   42.309  1215.81   42.309  1215.81   42.309  670.395   11.687  670.395   11.687 0.000000 0.000000 
1 1 1    0    0   18 o  2047.77   24.273 11376.07  379.599 11376.07  379.599 11376.07  379.599  2047.77   34.327  2047.77   34.327 0.000000 0.000000 
1 1 1    0    0   19 o  548.222   6.9264  813.101   28.997  813.101   28.997  813.101   28.997  548.222   9.7955  548.222   9.7955 0.000000 0.000000 
1 1 1    0    0   20 o  786.917   9.5914  1676.15   57.640  1676.15   57.640  1676.15   57.640  786.917   13.564  786.917   13.564 0.000000 0.000000 
1 1 1    0    0   21 o  262.862   4.1613  187.003   8.3496  187.003   8.3496  187.003   8.3496  262.862   5.8849  262.862   5.8849 0.000000 0.000000 
1 1 1    0    0   22 o  244.214   4.0666  161.437   7.5799  161.437   7.5799  161.437   7.5799  244.214   5.7511  244.214   5.7511 0.000000 0.000000 
1 1 1    0    0   23 o  124.531   4.0180   42.169   3.8057   42.169   3.8057   42.169   3.8057  124.531   5.6824  124.531   5.6824 0.000000 0.000000 
1 1 1    0    0   24 o  217.242   3.9700  127.793   6.5808  127.793   6.5808  127.793   6.5808  217.242   5.6144  217.242   5.6144 0.000000 0.000000 
1 1 1    0    0   25 o  1014.50   12.227  2789.23   94.728  2789.23   94.728  2789.23   94.728  1014.50   17.291  1014.50   17.291 0.000000 0.000000 
1 1 1    0    0   26 o  229.180   4.0753  142.212   7.1272  142.212   7.1272  142.212   7.1272  229.180   5.7634  229.180   5.7634 0.000000 0.000000 
1 1 1    0    0   27 o  569.341   7.2179  877.240   31.381  877.240   31.381  877.240   31.381  569.341   10.208  569.341   10.208 0.000000 0.000000 
1 1 1    0    0   28 o  826.437   10.089  1849.34   63.678  1849.34   63.678  1849.34   63.678  826.437   14.269  826.437   14.269 0.000000 0.000000 
1 1 1    0    0   32 o  484.000   6.3922  633.790   23.624  633.790   23.624  633.790   23.624  484.000   9.0400  484.000   9.0400 0.000000 0.000000 
1 1 1    0    0   33 o  475.420   6.3216  611.519   22.949  611.519   22.949  611.519   22.949  475.420   8.9400  475.420   8.9400 0.000000 0.000000 
1 1 1    0    0   34 o  298.234   4.8867  240.747   11.124  240.747   11.124  240.747   11.124  298.234   6.9109  298.234   6.9109 0.000000 0.000000 
1 1 1    0    0   35 o  717.605   8.9139  1393.58   48.849  1393.58   48.849  1393.58   48.849  717.605   12.606  717.605   12.606 0.000000 0.000000 
1 1 1    0    0   36 o   31.574   12.853   3.3602   4.9740   3.3602   4.9740   3.3602   4.9740   31.574   18.176   31.574   18.176 0.000000 0.000000 
1 1 1    0    0   37 o  316.020   5.2032  270.343   12.550  270.343   12.550  270.343   12.550  316.020   7.3585  316.020   7.3585 0.000000 0.000000 
1 1 1    0    0   38 o  795.826   9.8296  1714.73   59.739  1714.73   59.739  1714.73   59.739  795.826   13.901  795.826   13.901 0.000000 0.000000 
1 1 1    0    0   39 o  443.447   6.2612  532.185   21.199  532.185   21.199  532.185   21.199  443.447   8.8546  443.447   8.8546 0.000000 0.000000 
1 1 1    0    0   40 o  417.280   6.0665  471.274   19.327  471.274   19.327  471.274   19.327  417.280   8.5794  417.280   8.5794 0.000000 0.000000 
1 1 1    0    0   41 o  311.255   5.5458  262.360   13.172  262.360   13.172  262.360   13.172  311.255   7.8430  311.255   7.8430 0.000000 0.000000 
1 1 1    0    0   42 o  304.806   5.6192  251.659   13.069  251.659   13.069  251.659   13.069  304.806   7.9467  304.806   7.9467 0.000000 0.000000 
1 1 1    0    0   43 o  429.162   8.7513  499.549   28.647  499.549   28.647  499.549   28.647  429.162   12.376  429.162   12.376 0.000000 0.000000 
1 1 1    0    0   44 o  252.721   5.6934  173.207   10.970  173.207   10.970  173.207   10.970  252.721   8.0518  252.721   8.0518 0.000000 0.000000 
1 1 1    0    0   45 o  430.653   8.8319  503.378   29.011  503.378   29.011  503.378   29.011  430.653   12.490  430.653   12.490 0.000000 0.000000 
1 1 1    0    0   46 o  284.654   5.4789  219.601   11.898  219.601   11.898  219.601   11.898  284.654   7.7484  284.654   7.7484 0.000000 0.000000 
1 1 1    0    0   47 o  665.363   8.4579  1200.33   42.974  1200.33   42.974  1200.33   42.974  665.363   11.961  665.363   11.961 0.000000 0.000000 
1 1 1    0    0   48 o  655.406   8.3661  1165.17   41.871  1165.17   41.871  1165.17   41.871  655.406   11.831  655.406   11.831 0.000000 0.000000 
1 1 1    0    0   49 o  379.802   5.8257  390.935   16.891  390.935   16.891  390.935   16.891  379.802   8.2387  379.802   8.2387 0.000000 0.000000 
1 1 1    0    0   50 o  430.703   6.2177  503.013   20.446  503.013   20.446  503.013   20.446  430.703   8.7931  430.703   8.7931 0.000000 0.000000 
1 1 1    0    0   51 o  491.911   6.7512  656.443   25.357  656.443   25.357  656.443   25.357  491.911   9.5477  491.911   9.5477 0.000000 0.000000 
1 1 1    0    0   52 o  204.287   5.6889  113.559   8.8500  113.559   8.8500  113.559   8.8500  204.287   8.0454  204.287   8.0454 0.000000 0.000000 
1 1 1    0    0   53 o  276.786   5.3649  208.001   11.328  208.001   11.328  208.001   11.328  276.786   7.5871  276.786   7.5871 0.000000 0.000000 
1 1 1    0    0   54 o  356.017   5.6838  344.089   15.446  344.089   15.446  344.089   15.446  356.017   8.0381  356.017   8.0381 0.000000 0.000000 
1 1 1    0    0   55 o   48.272   15.946   9.4407   6.5621   9.4407   6.5621   9.4407   6.5621   48.272   22.551   48.272   22.551 0.000000 0.000000 
1 1 1    0    0   56 o  328.482   5.6015  293.290   14.043  293.290   14.043  293.290   14.043  328.482   7.9218  328.482   7.9218 0.000000 0.000000 
1 1 1    0    0   57 o  205.896   8.2459  116.802   12.879  116.802   12.879  116.802   12.879  205.896   11.661  205.896   11.661 0.000000 0.000000 
1 1 1    0    0   60 o   25.137   12.037  -3.0534   6.8578  -3.0534   6.8578  -3.0534   6.8578   25.137   17.023   25.137   17.023 0.000000 0.000000 
1 1 1    0    0   61 o   23.214   11.342  -4.9474   6.8027  -4.9474   6.8027  -4.9474   6.8027   23.214   16.040   23.214   16.040 0.000000 0.000000 
1 1 1    0    0   62 o  187.424   6.3023   96.575   8.9801   96.575   8.9801   96.575   8.9801  187.424   8.9128  187.424   8.9128 0.000000 0.000000 
1 1 1    0    0   63 o   40.476   15.907   6.7433   7.2722   6.7433   7.2722   6.7433   7.2722   40.476   22.496   40.476   22.496 0.000000 0.000000 
1 1 1    0    0   64 o  143.028   7.7481   57.274   8.3545   57.274   8.3545   57.274   8.3545  143.028   10.958  143.028   10.958 0.000000 0.000000 
1 1 1    0    0   65 o  115.884   9.5865   38.846   8.1858   38.846   8.1858   38.846   8.1858  115.884   13.557  115.884   13.557 0.000000 0.000000 
1 1 1    0    0   66 o  105.090   10.845   33.068   8.1674   33.068   8.1674   33.068   8.1674  105.090   15.337  105.090   15.337 0.000000 0.000000 
1 1 1    0    0   67 o  182.749   7.4537   93.156   10.330   93.156   10.330   93.156   10.330  182.749   10.541  182.749   10.541 0.000000 0.000000 
1 1 1    0    0   68 o   61.615   18.568   16.550   8.8992   16.550   8.8992   16.550   8.8992   61.615   26.260   61.615   26.260 0.000000 0.000000 
1 1 1    0    0   69 o   39.492   16.304   6.7757   8.1797   6.7757   8.1797   6.7757   8.1797   39.492   23.057   39.492   23.057 0.000000 0.000000 
1 1 1    0    0   70 o  100.050   12.068   31.674   8.4210   31.674   8.4210   31.674   8.4210  100.050   17.067  100.050   17.067 0.000000 0.000000 
1 1 1    0    1    2 o  3370.55   56.436 30821.73  1027.89   0.0000   0.0000 30821.73  1027.89  ?   ?   3370.55   56.436      ?      ? 
1 1 1    0    1    3 o  3205.72   54.283 26039.36  883.927 33918.92  1616.81 22680.18  1055.66  3524.08   84.903  2887.36   67.660 636.7188 108.5656 
1 1 1    0    1    4 o  1711.45   20.247  7926.15  187.239  7888.02  263.517  7965.04  266.094  1707.30   28.564  1715.60   28.703 -8.301392 40.49387 
1 1 1    0    1    5 o  1617.45   19.164  7080.62  167.436  6971.70  232.956  7197.02  240.821  1604.62   26.867  1630.29   27.336 -25.66223 38.32876 
1 1 1    0    1    6 o  835.940   10.089  1889.28   45.562  1912.64   65.245  1867.04   63.655  840.978   14.357  830.903   14.177 10.07526 20.17737 
1 1 1    0    1    7 o  399.558   5.2389  431.382   11.310  427.181   15.858  435.730   16.136  397.579   7.3812  401.537   7.4365 -3.957581 10.47780 
1 1 1    0    1    8 o  540.832   6.7635  790.375   19.763  799.532   28.259  781.609   27.649  543.896   9.6151  537.768   9.5146 6.128723 13.52693 
1 1 1    0    1    9 o  719.602   8.7689  1399.15   34.084  1424.46   49.066  1375.54   47.381  725.885   12.509  713.318   12.292 12.56781 17.53787 
1 1 1    0    1   10 o  1724.39   20.453  8064.50  190.576  8079.90  270.118  8049.23  268.917  1726.02   28.961  1722.76   28.887 3.262207 40.90516 
1 1 1    0    1   11 o  714.255   8.7195  1377.09   33.610  1337.36   46.142  1421.99   49.057  703.307   12.141  725.203   12.518 -21.89594 17.43900 
1 1 1    0    1   12 o  1489.50   17.687  6005.12  142.275  5893.87  197.176  6125.94  205.497  1475.16   24.736  1503.84   25.288 -28.67859 35.37439 
1 1 1    0    1   13 o  885.454   10.674  2119.60   51.064  2144.28   73.058  2096.03   71.400  890.487   15.183  880.421   15.008 10.06622 21.34847 
1 1 1    0    1   14 o  639.467   7.8933  1104.94   27.267  1089.51   38.016  1121.29   39.131  634.872   11.081  644.062   11.244 -9.189697 15.78664 
1 1 1    0    1   15 o  1552.44   18.430  6529.36  154.597  6560.53  219.767  6498.82  217.516  1556.09   26.136  1548.78   25.990 7.311401 36.85909 
1 1 1    0    1   16 o  407.765   5.4103  449.316   11.920  453.025   16.991  445.721   16.728  409.422   7.6798  406.109   7.6227 3.313080 10.82058 
1 1 1    0    1   17 o  993.557   11.931  2671.00   64.054  2677.67   90.832  2664.41   90.341  994.788   16.897  992.326   16.848 2.462219 23.86149 
1 1 1    0    1   18 o  1451.36   17.268  5710.33  135.430  5711.88  191.562  5708.78  191.492  1451.56   24.422  1451.16   24.420 0.3927002 34.53687 
1 1 1    0    1   19 o  524.906   6.6731  744.816   18.925  736.794   26.513  753.150   27.023  522.026   9.3989  527.786   9.4752 -5.759521 13.34615 
1 1 1    0    1   20 o  402.388   5.4036  437.660   11.748  442.418   16.772  433.077   16.460  404.533   7.6727  400.242   7.6108 4.291595 10.80713 
1 1 1    0    1   21 o  563.813   7.1038  859.827   21.643  859.915   30.613  859.740   30.603  563.842   10.047  563.785   10.045 0.5718994E-01 14.20763 
1 1 1    0    1   22 o  675.937   8.3494  1236.01   30.488  1218.53   42.520  1254.51   43.739  671.028   11.726  680.846   11.889 -9.818787 16.69879 
1 1 1    0    1   23 o  251.697   4.1251  171.092   5.6077  175.818   8.0881  166.718   7.7817  255.041   5.8688  248.354   5.7985 6.686615 8.250205 
1 1 1    0    1   24 o  688.293   8.4998  1282.45   31.613  1281.22   44.658  1283.68   44.758  687.964   12.013  688.622   12.028 -0.6583252 16.99959 
1 1 1    0    1   25 o  481.694   6.2607  627.575   16.295  632.099   23.196  623.166   22.897  483.407   8.8799  479.982   8.8280 3.424957 12.52147 
1 1 1    0    1   26 o  491.621   6.3714  653.752   16.926  652.414   23.902  655.096   23.972  491.117   9.0066  492.125   9.0144 -1.007965 12.74281 
1 1 1    0    1   27 o  439.496   5.8485  522.330   13.889  519.434   19.575  525.265   19.711  438.270   8.2654  440.722   8.2767 -2.452393 11.69700 
1 1 1    0    1   28 o  813.044   12.176  1787.15   50.215  1808.33   87.952  1776.91   61.164  816.099   19.944  809.989   13.974 6.110474 24.35258 
1 1 1    0    1   29 o  612.918   15.375  1017.57   50.922  1017.57   50.922   0.0000   0.0000  612.918   15.375  ?   ?       ?      ? 
1 1 1    0    1   31 o  1254.42   21.352  4266.69  144.181  4072.07  194.012  4506.76  215.478  1222.90   29.360  1285.94   31.010 -63.04028 42.70347 
1 1 1    0    1   32 o  650.931   8.1388  1145.90   28.625  1137.06   40.197  1154.99   40.774  648.387   11.473  653.475   11.547 -5.087463 16.27755 
1 1 1    0    1   33 o  1040.70   12.540  2933.55   70.521  2930.10   99.608  2937.01   99.854  1040.09   17.723  1041.32   17.746 -1.221436 25.08018 
1 1 1    0    1   34 o  1202.43   14.424  3920.22   93.717  3895.30  131.694  3945.79  133.395  1198.57   20.333  1206.29   20.464 -7.715698 28.84868 
1 1 1    0    1   35 o  270.277   4.7809  197.390   6.9814  200.941   9.9781  193.984   9.7716  272.657   6.7724  267.897   6.7501 4.760742 9.561845 
1 1 1    0    1   36 o  425.383   5.9167  489.184   13.600  492.010   19.341  486.420   19.126  426.597   8.3903  424.168   8.3447 2.428619 11.83346 
1 1 1    0    1   37 o  536.237   7.0314  777.682   20.374  781.331   28.972  774.112   28.656  537.480   9.9753  534.995   9.9123 2.485535 14.06278 
1 1 1    0    1   38 o  558.491   7.2771  843.805   21.961  845.366   31.156  842.264   30.961  559.003   10.314  557.980   10.268 1.023438 14.55416 
1 1 1    0    1   39 o  707.347   8.8649  1353.37   33.865  1382.34   48.893  1326.65   46.950  714.606   12.662  700.088   12.411 14.51801 17.72975 
1 1 1    0    1   40 o  909.070   11.117  2240.07   54.610  2229.01   76.886  2251.33   77.579  906.812   15.691  911.328   15.754 -4.516663 22.23451 
1 1 1    0    1   41 o  889.909   10.914  2146.49   52.480  2161.04   74.724  2132.33   73.722  892.875   15.488  886.943   15.382 5.931458 21.82828 
1 1 1    0    1   42 o  213.742   6.9156  122.438   7.5766  119.952   9.2937  127.365   13.083  210.589   8.1671  216.895   11.163 -6.305405 13.83129 
1 1 1    0    1   43 o  885.155   13.338  2129.46   60.123  2127.41   73.615  2133.56  104.193  885.463   15.385  884.848   21.791 0.6148071 26.67517 
1 1 1    0    1   44 o  673.283   12.083  1228.72   43.961   0.0000   0.0000  1228.72   43.961  ?   ?   673.283   12.083      ?      ? 
1 1 1    0    1   45 o  182.049   7.4031   84.463   6.9716   72.722   8.4943  108.694   12.203  163.861   9.5932  200.236   11.278 -36.37532 14.80628 
1 1 1    0    1   46 o  724.642   11.177  1432.01   41.354  1438.01   50.837  1420.27   71.103  727.763   12.927  721.521   18.237 6.242310 22.35379 
1 1 1    0    1   47 o  139.297   7.0849   52.758   5.3183   49.547   7.6419   55.774   7.4060  135.152   10.464  143.441   9.5548 -8.288559 14.16981 
1 1 1    0    1   48 o  525.381   7.0575  748.851   20.034  742.216   28.110  755.701   28.561  523.024   9.9459  527.738   10.016 -4.713989 14.11498 
1 1 1    0    1   49 o  528.896   7.1000  759.102   20.283  774.314   29.213  744.943   28.183  533.987   10.124  523.805   9.9572 10.18213 14.20000 
1 1 1    0    1   50 o  245.616   5.4130  163.602   7.1830  160.137   10.161  167.063   10.156  243.007   7.7380  248.225   7.5713 -5.218887 10.82596 
1 1 1    0    1   51 o  113.970   8.0675   35.293   4.9614   33.457   6.8024   37.380   7.2520  110.816   11.360  117.125   11.458 -6.308365 16.13509 
1 1 1    0    1   52 o  216.764   5.5251  127.554   6.4715  128.363   9.1434  126.741   9.1609  217.458   7.7812  216.070   7.8462 1.387405 11.05028 
1 1 1    0    1   53 o  168.399   6.1777   76.799   5.6032   86.088   8.2153   68.719   7.6617  177.901   8.5459  158.897   8.9232 19.00403 12.35545 
1 1 1    0    1   54 o  242.730   5.4697  159.986   7.1692  151.903   9.9767  168.617   10.309  236.383   7.8106  249.078   7.6593 -12.69475 10.93941 
1 1 1    0    1   55 o  185.646   5.9599   93.796   5.9737   99.415   8.5980   88.553   8.3057  191.033   8.3292  180.260   8.5268 10.77266 11.91982 
1 1 1    0    1   56 o  292.794   5.4719  233.462   8.6556  236.969   12.396  230.124   12.092  294.927   7.7780  290.661   7.6986 4.266235 10.94378 
1 1 1    0    1   57 o   69.726   11.360   8.9002   6.6779   31.577   9.0601 -18.0721   9.8811  106.107   15.802   33.346   16.325 72.76112 22.72016 
1 1 1    0    1   59 o  171.356   14.090   82.455   13.046   82.455   13.046   0.0000   0.0000  171.356   14.090  ?   ?       ?      ? 
1 1 1    0    1   60 o  109.635   11.330   33.296   6.2134   37.162   11.366   31.649   7.4202  112.999   18.615  106.272   12.921 6.726746 22.66010 
1 1 1    0    1   61 o  318.039   5.7341  277.223   9.8450  288.879   14.309  266.745   13.567  324.341   8.1643  311.736   8.0537 12.60550 11.46813 
1 1 1    0    1   62 o   38.514   11.553  -4.5450   5.0406 -16.1992   7.2802   6.1857   6.9858   26.750   13.267   50.277   18.918 -23.52681 23.10679 
1 1 1    0    1   63 o  131.354   8.1039   48.447   5.7511   48.342   8.0568   48.556   8.2120  131.253   11.360  131.455   11.561 -0.2025452 16.20774 
1 1 1    0    1   64 o  120.039   8.7442   40.989   5.6294   35.316   7.9309   46.749   7.9918  111.248   13.193  128.830   11.480 -17.58220 17.48847 
1 1 1    0    1   65 o  177.392   6.8286   87.931   6.5340   82.187   9.2501   93.652   9.2309  171.406   9.9869  183.379   9.3155 -11.97293 13.65715 
1 1 1    0    1   66 o   58.191   14.111   10.256   5.5914   14.880   7.9868   5.8118   7.8303   67.121   20.296   49.261   19.609 17.85997 28.22105 
1 1 1    0    1   67 o  145.480   8.4720   60.565   6.6519   64.115   9.4393   57.063   9.3754  149.936   11.651  141.023   12.303 8.912216 16.94402 
1 1 1    0    1   68 o   97.544   12.155   30.179   6.2017   35.780   8.9142   24.924   8.6337  108.360   15.224   86.728   18.952 21.63158 24.30937 
1 1 1    0    1   69 o  252.435   6.2535  179.908   8.5269  187.048   12.202  173.095   11.920  257.415   8.7724  247.454   8.9147 9.960541 12.50707 
1 1 1    0    1   70 o  215.029   6.6220  132.907   7.6943  132.512   10.855  133.305   10.908  214.722   9.3553  215.336   9.3746 -0.6140289 13.24399 
1 1 1    0    2    0 o  2865.63   51.718 11349.72  443.048 39932.43  1934.80  9768.02  455.142  3831.32   93.454  1899.94   44.332 1931.385 103.4362 
1 1 1    0    2    1 o  724.055   12.478  1416.81   48.822   0.0000   0.0000  1416.81   48.822  ?   ?   724.055   12.478      ?      ? 
1 1 1    0    2    3 o  1284.94   15.374  4465.59  106.746  4479.33  151.460  4452.02  150.469  1286.90   21.780  1282.98   21.704 3.923340 30.74809 
1 1 1    0    2    4 o  732.434   8.9085  1449.92   35.254  1435.94   49.387  1464.45   50.340  728.837   12.540  736.032   12.657 -7.194641 17.81702 
1 1 1    0    2    5 o  873.625   10.524  2064.09   49.679  2057.49   70.038  2070.77   70.477  872.220   14.860  875.030   14.905 -2.809448 21.04726 
1 1 1    0    2    6 o  1830.77   21.710  9096.48  214.774  9064.05  302.610  9129.39  304.874  1827.49   30.644  1834.04   30.763 -6.543213 43.42085 
1 1 1    0    2    7 o  910.772   10.956  2238.51   53.829  2167.34   73.592  2320.41   78.940  895.250   15.212  926.294   15.771 -31.04358 21.91223 
1 1 1    0    2    8 o  292.487   4.1985  231.144   6.6353  233.200   9.4498  229.145   9.3190  293.770   5.9529  291.204   5.9222 2.565582 8.396970 
1 1 1    0    2    9 o  873.884   10.536  2065.18   49.751  2055.53   70.024  2075.01   70.697  871.826   14.864  875.942   14.936 -4.116760 21.07179 
1 1 1    0    2   10 o  356.199   4.8396  342.875   9.3150  343.593   13.203  342.164   13.144  356.570   6.8523  355.827   6.8360 0.7424622 9.679131 
1 1 1    0    2   11 o  441.055   5.7211  525.442   13.630  535.777   19.616  515.796   18.952  445.245   8.1532  436.865   8.0281 8.379272 11.44224 
1 1 1    0    2   12 o  598.648   7.4378  968.652   24.060  963.723   33.873  973.671   34.181  597.112   10.498  600.185   10.539 -3.072876 14.87560 
1 1 1    0    2   13 o  1117.24   13.347  3376.33   80.569  3409.63  115.117  3344.36  112.802  1122.64   18.976  1111.85   18.775 10.78186 26.69463 
1 1 1    0    2   14 o  647.937   7.9922  1134.80   27.982  1129.05   39.383  1140.65   39.764  646.281   11.277  649.593   11.328 -3.311462 15.98441 
1 1 1    0    2   15 o  2149.35   25.481 12551.25  295.929 12480.87  415.970 12623.38  421.092  2143.29   35.916  2155.41   36.154 -12.12207 50.96187 
1 1 1    0    2   16 o  293.896   4.3345  233.377   6.8830  236.015   9.8166  230.825   9.6537  295.529   6.1471  292.262   6.1127 3.266937 8.669011 
1 1 1    0    2   17 f  485.810   6.2392  637.840   16.377  643.336   23.359  632.525   22.968  487.867   8.8606  483.752   8.7864 4.115112 12.47844 
1 1 1    0    2   18 o  163.599   3.6074   72.304   3.1886   73.515   4.5580   71.144   4.4622  164.940   5.1140  162.258   5.0892 2.681870 7.214820 
1 1 1    0    2   19 o  553.350   6.9835  827.894   20.880  820.779   29.288  835.248   29.775  550.934   9.8378  555.765   9.9144 -4.831116 13.96706 
1 1 1    0    2   20 o  722.213   8.8617  1411.58   34.583  1406.86   48.751  1416.36   49.067  720.999   12.513  723.427   12.552 -2.428162 17.72350 
1 1 1    0    2   21 o  329.518   4.7433  293.393   8.4438  288.012   11.782  299.076   12.108  326.413   6.6798  332.623   6.7362 -6.209381 9.486604 
1 1 1    0    2   22 o  496.786   6.4005  667.131   17.176  678.995   24.691  656.007   23.908  501.060   9.1193  492.513   8.9835 8.547913 12.80100 
1 1 1    0    2   23 o  245.190   4.1050  162.492   5.4387  163.784   7.7186  161.218   7.6646  246.158   5.8028  244.222   5.8079 1.936157 8.209977 
1 1 1    0    2   24 o  382.225   5.2588  395.017   10.862  393.326   15.323  396.725   15.398  381.403   7.4348  383.047   7.4394 -1.644684 10.51766 
1 1 1    0    2   25 o  255.092   4.2195  175.909   5.8162  175.325   8.2424  176.488   8.2084  254.670   5.9895  255.514   5.9451 -0.8438721 8.439034 
1 1 1    0    2   26 o  331.778   4.8297  297.413   8.6548  303.585   12.468  291.673   12.024  335.096   6.8856  328.460   6.7743 6.636139 9.659351 
1 1 1    0    2   27 o  178.864   4.0479   86.077   3.9032   92.816   5.7610   80.359   5.3068  185.305   5.7533  172.423   5.6957 12.88229 8.095773 
1 1 1    0    2   28 o  722.969   12.596  1417.15   49.197  1438.06   70.501  1397.30   68.684  728.151   17.918  717.788   17.708 10.36273 25.19173 
1 1 1    0    2   29 o  417.366   8.0056  466.785   17.924  436.261   23.690  507.658   27.414  401.579   10.917  433.154   11.712 -31.57458 16.01119 
1 1 1    0    2   30 o  494.715   13.085  662.387   34.980  662.387   34.980   0.0000   0.0000  494.715   13.085  ?   ?       ?      ? 
1 1 1    0    2   31 o  338.709   7.1726  310.221   13.126  311.712   18.734  308.784   18.397  339.506   10.212  337.912   10.075 1.594116 14.34527 
1 1 1    0    2   32 o  309.160   6.0070  258.406   9.3691  258.333   16.538  258.440   11.370  309.096   9.9014  309.223   6.8043 -0.1270447 12.01406 
1 1 1    0    2   33 o  721.657   8.9269  1408.84   34.810  1414.82   49.445  1402.96   49.017  723.174   12.653  720.140   12.596 3.034485 17.85381 
1 1 1    0    2   34 o  332.290   5.0944  298.454   9.1468  299.099   13.013  297.824   12.860  332.644   7.2395  331.935   7.1695 0.7084656 10.18879 
1 1 1    0    2   35 o  362.244   5.3467  354.690   10.465  357.004   14.895  352.435   14.707  363.410   7.5848  361.078   7.5379 2.332123 10.69342 
1 1 1    0    2   36 o  327.297   5.1589  289.555   9.1237  291.249   12.976  287.898   12.831  328.243   7.3157  326.350   7.2759 1.892792 10.31784 
1 1 1    0    2   37 o  390.969   5.6772  413.184   11.993  406.200   16.812  420.419   17.112  387.606   8.0268  394.332   8.0308 -6.725616 11.35446 
1 1 1    0    2   38 o  886.846   10.848  2130.62   51.978  2107.01   72.748  2155.26   74.292  881.838   15.267  891.853   15.416 -10.01495 21.69581 
1 1 1    0    2   39 o  265.123   5.3334  190.076   7.6380  183.838   10.788  196.346   10.816  260.758   7.6563  269.488   7.4272 -8.730042 10.66685 
1 1 1    0    2   40 o  1214.57   14.630  4008.53   96.016  3990.97  135.175  4026.42  136.409  1211.90   20.642  1217.24   20.739 -5.337280 29.26028 
1 1 1    0    2   41 o  501.767   13.634  681.982   36.967   0.0000   0.0000  681.982   36.967  ?   ?   501.767   13.634      ?      ? 
1 1 1    0    2   42 o  587.964   9.3569  938.352   28.148  941.641   34.662  931.982   48.235  589.762   10.876  586.165   15.229 3.597839 18.71378 
1 1 1    0    2   43 o  780.031   11.917  1657.56   47.454  1636.49   81.546  1668.35   58.351  775.605   19.457  784.457   13.766 -8.852356 23.83411 
1 1 1    0    2   44 o  764.034   13.488  1583.74   55.685   0.0000   0.0000  1583.74   55.685  ?   ?   764.034   13.488      ?      ? 
1 1 1    0    2   45 o  400.513   7.2841  430.916   14.822  445.496   26.014  423.907   18.037  405.300   11.878  395.726   8.4349 9.574188 14.56811 
1 1 1    0    2   46 o  225.148   6.7466  135.938   7.8636  132.609   9.7488  142.140   13.304  221.324   8.1514  228.972   10.753 -7.648300 13.49313 
1 1 1    0    2   47 o  462.248   7.9017  583.518   18.776  591.779   23.307  568.243   31.692  467.273   9.2307  457.222   12.827 10.05115 15.80342 
1 1 1    0    2   48 o  362.525   5.7341  356.077   11.233  352.679   15.823  359.528   15.948  360.780   8.1163  364.268   8.1023 -3.488007 11.46824 
1 1 1    0    2   49 o  396.137   5.9431  425.143   12.712  433.982   18.410  417.090   17.574  400.050   8.5163  392.224   8.2917 7.825562 11.88616 
1 1 1    0    2   50 o  259.610   5.3875  182.759   7.5561  182.660   10.800  182.855   10.575  259.531   7.7011  259.690   7.5360 -0.1586304 10.77492 
1 1 1    0    2   51 o  291.655   5.4248  230.695   8.5484  225.482   12.036  235.999   12.143  288.323   7.7256  294.986   7.6178 -6.663513 10.84967 
1 1 1    0    2   52 o  375.757   5.8310  383.463   11.836  386.287   16.971  380.789   16.516  377.083   8.3289  374.430   8.1628 2.653015 11.66196 
1 1 1    0    2   53 o  122.412   7.6174   40.959   5.0254   40.436   7.3522   41.416   6.8848  121.628   11.187  123.196   10.342 -1.568382 15.23475 
1 1 1    0    2   54 o  252.884   5.4424  173.720   7.4310  176.415   10.760  171.263   10.275  254.733   7.8172  251.034   7.5743 3.699677 10.88480 
1 1 1    0    2   55 o  136.378   7.3303   51.592   5.3254   43.429   7.7316   58.960   7.3456  125.795   11.374  146.960   9.2500 -21.16444 14.66055 
1 1 1    0    2   56 o  120.048   15.572   40.248   10.102   40.248   10.102   0.0000   0.0000  120.048   15.572  ?   ?       ?      ? 
1 1 1    0    2   57 o  114.339   11.652   37.312   6.8841   46.779   9.9727   28.694   9.5146  129.568   14.244   99.110   18.445 30.45769 23.30440 
1 1 1    0    2   58 o   80.961   24.459   20.081   11.604   20.081   11.604   0.0000   0.0000   80.961   24.459  ?   ?       ?      ? 
1 1 1    0    2   59 o   55.442   15.381   3.8474   7.1540   12.935   10.821  -3.2095   9.5354   67.631   23.824   43.252   19.459 24.37882 30.76128 
1 1 1    0    2   60 o  165.690   8.3665   78.350   6.8856   71.441   12.138   81.628   8.3611  159.108   14.118  172.272   8.9817 -13.16365 16.73291 
1 1 1    0    2   61 o  165.987   6.6516   76.332   5.9172   64.768   8.3050   88.254   8.4329  152.922   10.050  179.051   8.7159 -26.12978 13.30327 
1 1 1    0    2   62 o  203.625   6.0808  114.263   6.6865  116.033   9.6604  112.635   9.2642  205.082   8.7173  202.169   8.4802 2.912704 12.16165 
1 1 1    0    2   63 o  138.538   7.6584   53.617   5.7213   54.554   8.3931   52.803   7.8195  139.536   11.131  137.541   10.521 1.994522 15.31671 
1 1 1    0    2   64 o   57.086   12.183   5.5849   5.3363   20.368   8.0166  -6.1770   7.1507   80.940   18.704   33.232   15.615 47.70774 24.36530 
1 1 1    0    2   65 o  130.152   8.6553   48.236   6.0787   45.181   8.5576   51.348   8.6360  125.800   12.589  134.505   11.882 -8.704544 17.31059 
1 1 1    0    2   66 o   52.057   13.491   6.5731   5.5367  -0.5448   7.9788   13.184   7.6893   40.597   18.066   63.517   20.041 -22.91993 26.98158 
1 1 1    0    2   67 o   58.309   21.128   10.287   8.5729   10.287   8.5729   0.0000   0.0000   58.309   21.128  ?   ?       ?      ? 
1 1 1    0    2   68 o   85.537   13.597   24.647   6.1546   28.399   8.7963   21.049   8.6144   93.087   18.139   77.986   20.259 15.10057 27.19300 
1 1 1    0    2   69 o  260.311   6.2327  191.289   8.7672  190.697   12.381  191.884   12.417  259.906   8.8154  260.717   8.8135 -0.8105164 12.46548 
1 1 1    0    2   70 o  140.762   8.7204   59.135   6.5714   70.621   9.6695   49.278   8.9579  154.197   11.605  127.327   13.020 26.87021 17.44084 
1 1 1    0    3    2 o  1225.69   14.639  4065.66   96.958  4080.81  137.656  4050.74  136.590  1227.96   20.746  1223.43   20.661 4.523682 29.27891 
1 1 1    0    3    3 o  921.090   11.085  2294.28   55.163  2322.15   78.958  2267.71   77.100  926.547   15.770  915.634   15.583 10.91345 22.17042 
1 1 1    0    3    4 o  1641.16   19.489  7303.80  172.825  7338.04  245.711  7270.28  243.131  1644.94   27.643  1637.37   27.479 7.576904 38.97758 
1 1 1    0    3    6 o  882.643   10.669  2106.44   50.880  2091.75   71.441  2121.56   72.481  879.523   15.032  885.763   15.143 -6.239502 21.33714 
1 1 1    0    3    7 o  1077.74   12.884  3139.44   74.981  3208.57  108.469  3076.18  103.765  1089.07   18.431  1066.40   18.007 22.67554 25.76764 
1 1 1    0    3    8 o  1526.09   18.118  6308.57  149.380  6241.66  208.867  6378.64  213.727  1517.83   25.466  1534.34   25.778 -16.51306 36.23554 
1 1 1    0    3    9 o  302.206   4.3353  246.797   7.0797  247.165   10.032  246.432   9.9920  302.431   6.1389  301.982   6.1233 0.4486084 8.670681 
1 1 1    0    3   10 o  1222.73   14.582  4044.94   96.305  3975.72  133.804  4119.34  138.720  1211.90   20.432  1233.55   20.811 -21.65186 29.16453 
1 1 1    0    3   11 o  1041.45   12.484  2933.98   70.254  2943.81   99.713  2924.29   99.001  1043.18   17.689  1039.72   17.621 3.458862 24.96800 
1 1 1    0    3   12 o  1091.52   13.056  3222.82   77.000  3203.82  108.233  3242.30  109.570  1088.27   18.405  1094.77   18.522 -6.506470 26.11114 
1 1 1    0    3   13 o  796.759   9.6728  1716.10   41.640  1699.43   58.331  1733.43   59.461  792.815   13.616  800.703   13.743 -7.887817 19.34558 
1 1 1    0    3   14 o  856.913   10.363  1985.65   47.987  1979.40   67.652  1991.97   68.077  855.558   14.633  858.269   14.679 -2.710754 20.72678 
1 1 1    0    3   15 o  616.376   7.6572  1027.02   25.503  1022.97   35.932  1031.13   36.203  615.153   10.810  617.599   10.848 -2.446350 15.31434 
1 1 1    0    3   16 o  464.138   6.0205  581.941   15.094  592.934   21.720  571.673   20.991  468.373   8.5817  459.902   8.4464 8.470917 12.04102 
1 1 1    0    3   17 o  407.281   5.4392  448.316   11.971  447.640   16.917  448.995   16.941  406.973   7.6924  407.589   7.6920 -0.6153870 10.87840 
1 1 1    0    3   18 o  155.875   3.6605   65.645   3.0821   63.214   4.3257   68.151   4.3926  152.945   5.2340  158.805   5.1188 -5.860199 7.320975 
1 1 1    0    3   19 o  308.730   4.5497  257.618   7.5899  258.905   10.782  256.355   10.687  309.493   6.4468  307.966   6.4216 1.527466 9.099354 
1 1 1    0    3   20 o  685.423   8.4571  1271.30   31.323  1269.71   44.253  1272.89   44.342  684.994   11.956  685.852   11.965 -0.8571777 16.91418 
1 1 1    0    3   21 o  1021.85   12.302  2830.78   67.923  2848.67   96.716  2813.38   95.413  1025.03   17.461  1018.68   17.333 6.341797 24.60361 
1 1 1    0    3   22 o  692.084   8.5414  1296.42   31.943  1297.02   45.214  1295.82   45.135  692.244   12.087  691.925   12.072 0.3185425 17.08290 
1 1 1    0    3   23 o  233.395   4.0806  147.211   5.1457  148.892   7.3546  145.599   7.2020  234.700   5.7991  232.091   5.7425 2.608978 8.161245 
1 1 1    0    3   24 o  692.903   8.5636  1299.79   32.063  1291.91   45.097  1307.86   45.594  690.781   12.081  695.026   12.140 -4.244568 17.12720 
1 1 1    0    3   25 o  852.710   10.375  1970.71   47.804  1963.91   67.389  1977.60   67.823  851.233   14.651  854.187   14.694 -2.954346 20.74972 
1 1 1    0    3   26 o  195.699   4.0673  103.512   4.3002  103.929   6.1542  103.115   6.0111  196.084   5.8082  195.315   5.6955 0.7683716 8.134689 
1 1 1    0    3   27 o  282.896   6.1810  215.864   9.4320  207.185   12.880  225.901   13.851  276.784   8.6116  289.007   8.8690 -12.22308 12.36202 
1 1 1    0    3   28 o  516.405   9.3765  721.951   26.164  720.721   36.881  723.198   37.124  515.965   13.228  516.846   13.293 -0.8809204 18.75290 
1 1 1    0    3   29 o  826.713   12.484  1820.70   51.324  1773.16   61.169  1933.78   94.336  809.290   13.987  844.137   20.681 -34.84662 24.96718 
1 1 1    0    3   30 f   88.852   9.8098   22.198   4.4841   18.162   6.6499   25.563   6.0724   80.498   15.852   97.206   11.561 -16.70888 19.61959 
1 1 1    0    3   31 o  719.122   12.636  1400.37   49.082  1423.20   70.632  1379.05   68.253  724.769   18.035  713.476   17.703 11.29266 25.27176 
1 1 1    0    3   32 o  466.540   7.6917  587.141   18.140  592.793   31.976  584.459   22.027  468.116   12.641  464.963   8.7669 3.152496 15.38346 
1 1 1    0    3   33 o  131.928   5.2670   47.085   3.7480   46.359   5.4436   47.740   5.1681  130.958   7.6925  132.898   7.1966 -1.939743 10.53404 
1 1 1    0    3   34 o  420.364   5.8370  477.671   13.258  473.743   18.630  481.701   18.872  418.614   8.2359  422.114   8.2737 -3.500488 11.67409 
1 1 1    0    3   35 f  439.788   6.0464  522.375   14.360  508.276   19.882  537.750   20.763  433.593   8.4860  445.983   8.6154 -12.39053 12.09286 
1 1 1    0    3   36 o  817.672   10.043  1809.80   44.373  1820.14   63.122  1799.70   62.391  819.976   14.246  815.369   14.161 4.606262 20.08659 
1 1 1    0    3   37 o  321.023   5.2591  278.617   9.1227  277.576   12.933  279.648   12.870  320.425   7.4693  321.621   7.4055 -1.195068 10.51814 
1 1 1    0    3   38 o  870.514   10.667  2052.82   50.171  2033.80   70.353  2072.51   71.566  866.419   15.027  874.609   15.143 -8.189880 21.33328 
1 1 1    0    3   39 o  779.875   9.6674  1646.57   40.733  1626.05   56.970  1668.03   58.263  774.914   13.605  784.836   13.738 -9.922791 19.33483 
1 1 1    0    3   40 o  652.806   8.3170  1153.44   29.336  1142.86   41.162  1164.35   41.821  649.769   11.723  655.843   11.801 -6.073975 16.63391 
1 1 1    0    3   41 o  257.480   7.0495  187.614   9.3597  221.018   12.322  142.049   14.391  285.885   7.9762  229.076   11.626 56.80913 14.09891 
1 1 1    0    3   42 o  308.642   7.1119  262.618   10.938  245.270   19.396  270.709   13.246  300.918   11.928  316.367   7.7481 -15.45001 14.22381 
1 1 1    0    3   43 o  300.133   6.9236  243.063   10.326  245.721   18.787  241.913   12.361  301.201   11.543  299.065   7.6488 2.136383 13.84710 
1 1 1    0    3   44 o  277.173   5.5297  207.822   8.2782  199.090   11.612  216.848   11.805  271.248   7.9220  283.098   7.7169 -11.84952 11.05932 
1 1 1    0    3   45 o  138.388   8.9158   54.223   6.2365   44.977   10.380   59.446   7.8017  128.635   14.932  148.140   9.7461 -19.50507 17.83153 
1 1 1    0    3   46 o  1032.94   15.458  2936.05   81.834  2889.64  139.231  2960.55  101.151  1024.25   25.156  1041.62   17.971 -17.37158 30.91566 
1 1 1    0    3   47 o   48.860   13.930   3.0216   5.6459   4.9434   7.0948  -0.2968   9.3231   50.184   19.023   47.537   20.356 2.646935 27.86097 
1 1 1    0    3   48 o  132.822   7.6693   48.239   5.3990   60.375   7.7645   36.879   7.5125  149.179   9.6320  116.464   11.937 32.71479 15.33864 
1 1 1    0    3   49 o  182.957   6.0259   90.779   5.9573   91.567   8.4543   90.001   8.3957  183.746   8.5147  182.167   8.5290 1.579117 12.05174 
1 1 1    0    3   50 o  191.182   5.8278   99.176   6.0200   99.546   8.5833   98.817   8.4454  191.529   8.2934  190.836   8.1897 0.6922913 11.65556 
1 1 1    0    3   51 o  247.152   5.3994  165.652   7.2087  166.915   10.344  164.459   10.051  248.058   7.7172  246.247   7.5537 1.811295 10.79877 
1 1 1    0    3   52 o  242.139   5.4368  159.285   7.0992  157.457   10.343  160.912   9.7622  240.785   7.9490  243.493   7.4195 -2.708145 10.87359 
1 1 1    0    3   53 o  312.438   5.4719  265.330   9.2350  260.452   13.151  270.076   12.972  309.576   7.8614  315.301   7.6135 -5.724945 10.94375 
1 1 1    0    3   54 o  251.879   5.4437  171.521   7.3817  183.224   11.035  162.045   9.9304  259.578   7.8674  244.181   7.5260 15.39673 10.88748 
1 1 1    0    3   55 o  189.005   5.9729   97.372   6.0902   97.584   8.8742   97.184   8.3732  189.152   8.6823  188.859   8.2048 0.2932892 11.94571 
1 1 1    0    3   56 o  356.252   8.0773  349.222   15.548  354.279   21.965  344.144   22.010  358.891   11.326  353.613   11.519 5.278290 16.15451 
1 1 1    0    3   57 o  127.935   10.195   45.871   7.0150   42.387   10.134   49.077   9.7207  123.010   15.245  132.860   13.540 -9.849800 20.38997 
1 1 1    0    3   58 o  195.032   7.5498  106.657   7.5804  111.108   9.5090   98.896   12.556  201.372   8.7387  188.693   12.314 12.67876 15.09961 
1 1 1    0    3   59 o  187.551   9.1395   97.312   9.1998  107.005   14.042   90.023   12.177  195.467   13.295  179.634   12.545 15.83276 18.27896 
1 1 1    0    3   60 o  193.976   8.9044  105.339   9.2883  104.662   13.795  105.901   12.562  193.063   13.223  194.889   11.929 -1.826126 17.80881 
1 1 1    0    3   61 o  201.992   6.1369  112.605   6.6794  107.622   9.6743  117.144   9.2332  197.540   9.0631  206.443   8.2768 -8.903137 12.27378 
1 1 1    0    3   62 o  260.646   5.7833  187.013   8.1440  182.443   11.480  191.644   11.555  257.396   8.2535  263.896   8.1034 -6.500580 11.56653 
1 1 1    0    3   63 o   72.786   12.940   15.853   5.1935   22.195   7.8227   10.855   6.9449   85.568   17.508   60.005   19.058 25.56265 25.87983 
1 1 1    0    3   64 o  130.261   8.4302   47.802   5.9130   50.870   8.8236   45.301   7.9663  133.898   12.195  126.625   11.643 7.273155 16.86036 
1 1 1    0    3   65 o  207.059   6.3962  118.399   7.1286  132.947   10.600  106.385   9.6324  218.634   8.9720  195.485   9.1187 23.14885 12.79246 
1 1 1    0    3   66 o   32.460   10.988  -9.5042   5.5118  -4.5162   8.0251 -13.9582   7.5834   36.551   16.964   28.368   13.971 8.183062 21.97623 
1 1 1    0    3   67 o  110.756   15.119   36.224   9.0487   36.224   9.0487   0.0000   0.0000  110.756   15.119  ?   ?       ?      ? 
1 1 1    0    3   68 o   52.092   14.410   8.2895   5.9113   7.0973   8.4961   9.4082   8.2300   50.271   20.282   53.914   20.476 -3.642044 28.82071 
1 1 1    0    3   69 o   55.704   14.665   10.007   5.9270   8.7476   8.4220   11.243   8.3426   53.479   20.614   57.929   20.864 -4.449776 29.33010 
1 1 1    0    3   70 o   76.459   14.066   21.534   6.0233   16.494   8.7514   26.071   8.3027   65.732   21.443   87.186   18.211 -21.45444 28.13221 
1 1 1    0    4    0 o  835.787   20.216  1888.96   91.301   0.0000   0.0000  1888.96   91.301  ?   ?   835.787   20.216      ?      ? 
1 1 1    0    4    1 o  717.557   12.483  1392.04   48.402   0.0000   0.0000  1392.04   48.402  ?   ?   717.557   12.483      ?      ? 
1 1 1    0    4    3 o  676.213   8.3146  1235.81   30.377  1221.85   42.486  1250.40   43.448  672.310   11.695  680.116   11.822 -7.805847 16.62925 
1 1 1    0    4    4 o  600.914   7.4769  975.919   24.277  983.360   34.594  968.700   34.077  603.170   10.614  598.658   10.534 4.511414 14.95378 
1 1 1    0    4    5 o  1027.32   12.313  2854.65   68.352  2855.83   96.718  2853.47   96.610  1027.53   17.419  1027.11   17.407 0.4233398 24.62550 
1 1 1    0    4    6 o  1624.25   19.273  7148.33  169.135  7217.66  241.647  7081.76  236.812  1631.94   27.402  1616.56   27.110 15.38428 38.54638 
1 1 1    0    4    7 o  681.891   8.3758  1256.88   30.858  1269.61   44.074  1244.63   43.219  685.276   11.902  678.506   11.788 6.770020 16.75166 
1 1 1    0    4    8 o  761.737   9.2760  1568.98   38.181  1564.09   53.841  1573.93   54.153  760.542   13.101  762.931   13.136 -2.388733 18.55205 
1 1 1    0    4    9 o  273.933   4.1437  202.722   6.1328  198.794   8.5972  206.793   8.7510  271.231   5.8659  276.634   5.8542 -5.403351 8.287329 
1 1 1    0    4   10 o  773.187   9.4075  1616.19   39.303  1605.83   55.237  1626.82   55.935  770.679   13.264  775.695   13.344 -5.016785 18.81500 
1 1 1    0    4   11 o  933.104   11.237  2354.56   56.660  2347.05   79.848  2362.19   80.414  931.606   15.861  934.602   15.923 -2.995361 22.47477 
1 1 1    0    4   12 o  1580.29   18.762  6764.15  160.200  6707.45  224.566  6822.92  228.603  1573.56   26.410  1587.01   26.657 -13.44812 37.52468 
1 1 1    0    4   13 f  514.882   6.5578  713.427   18.189  679.500   24.578  754.506   27.045  501.411   9.0712  528.353   9.4727 -26.94174 13.11556 
1 1 1    0    4   14 o  1021.66   12.269  2823.55   67.724  2796.18   94.826  2852.04   96.755  1016.61   17.262  1026.70   17.440 -10.08948 24.53797 
1 1 1    0    4   15 o  273.383   4.2227  201.743   6.2341  208.206   9.0166  195.824   8.6289  277.573   6.0114  269.194   5.9320 8.379364 8.445497 
1 1 1    0    4   16 o  641.220   7.9537  1111.62   27.559  1114.24   39.078  1109.02   38.871  641.973   11.265  640.468   11.232 1.504578 15.90737 
1 1 1    0    4   17 o  484.436   6.2563  634.376   16.377  634.597   23.191  634.155   23.131  484.520   8.8576  484.352   8.8377 0.1680908 12.51251 
1 1 1    0    4   18 o  514.263   6.5816  715.066   18.289  710.593   25.735  719.629   25.996  512.639   9.2902  515.886   9.3254 -3.247559 13.16324 
1 1 1    0    4   19 o  271.065   4.2606  198.584   6.2403  195.399   8.7892  201.821   8.8615  268.873   6.0494  273.256   6.0014 -4.383057 8.521282 
1 1 1    0    4   20 o  294.442   4.4748  234.332   7.1194  232.038   10.031  236.660   10.106  292.990   6.3359  295.894   6.3206 -2.903656 8.949530 
1 1 1    0    4   21 o  720.410   8.8642  1404.30   34.497  1425.66   49.522  1384.17   48.082  725.720   12.628  715.100   12.443 10.62006 17.72844 
1 1 1    0    4   22 o  1322.78   15.831  4757.25  113.155  4754.50  159.952  4760.01  160.099  1322.40   22.384  1323.16   22.392 -0.7628174 31.66126 
1 1 1    0    4   23 f  538.393   6.8735  784.079   19.995  777.535   28.066  790.824   28.494  536.114   9.6879  540.671   9.7530 -4.557190 13.74691 
1 1 1    0    4   24 o  288.523   4.5009  225.047   7.0171  225.307   9.9539  224.790   9.8937  288.688   6.3808  288.357   6.3495 0.3306885 9.001735 
1 1 1    0    4   25 o  250.915   4.2833  170.192   5.8073  170.029   8.2443  170.353   8.1816  250.795   6.0834  251.035   6.0314 -0.2402954 8.566514 
1 1 1    0    4   26 o  260.318   5.9335  183.271   8.3460  185.158   11.788  181.374   11.818  261.664   8.3366  258.973   8.4454 2.690552 11.86693 
1 1 1    0    4   27 o  327.316   6.7273  289.012   11.881  304.730   17.381  275.225   16.279  335.645   9.5831  318.987   9.4440 16.65723 13.45456 
1 1 1    0    4   28 o  961.933   14.280  2504.89   69.755  2492.99   85.080  2529.28  121.835  959.177   16.415  964.690   23.372 -5.513855 28.56051 
1 1 1    0    4   29 o  919.870   13.638  2310.35   64.600  2347.26   80.380  2243.02  108.560  930.862   15.980  908.877   22.104 21.98425 27.27550 
1 1 1    0    4   30 o  274.194   6.8247  203.225   10.104  205.293   14.609  201.329   13.990  275.527   9.8122  272.862   9.4881 2.665131 13.64933 
1 1 1    0    4   31 o  509.281   9.5060  701.756   26.157  704.505   37.311  699.099   36.681  510.257   13.532  508.306   13.355 1.951416 19.01194 
1 1 1    0    4   32 o  295.874   6.0424  235.869   8.9457  238.739   16.082  234.584   10.765  297.141   10.016  294.607   6.7620 2.534302 12.08480 
1 1 1    0    4   33 o  524.227   6.8286  743.084   19.344  740.144   27.301  746.048   27.411  523.186   9.6567  525.268   9.6575 -2.082642 13.65720 
1 1 1    0    4   34 o  493.518   6.5422  658.519   17.446  654.273   24.555  662.847   24.792  491.912   9.2378  495.124   9.2663 -3.211639 13.08436 
1 1 1    0    4   35 o  712.986   8.8791  1374.56   34.193  1348.81   47.487  1402.29   49.275  706.064   12.446  719.908   12.667 -13.84381 17.75818 
1 1 1    0    4   36 o  524.505   6.9133  743.918   19.593  736.999   27.512  751.038   27.909  522.032   9.7531  526.978   9.8007 -4.946045 13.82668 
1 1 1    0    4   37 o  317.311   5.2443  272.196   8.9916  268.365   12.667  276.088   12.766  315.060   7.4403  319.562   7.3927 -4.502472 10.48857 
1 1 1    0    4   38 o  234.600   5.2334  147.527   6.6058  164.363   9.8984  134.007   8.8700  246.564   7.4293  222.635   7.3730 23.92906 10.46687 
1 1 1    0    4   39 o  419.039   6.1146  474.836   13.843  476.571   19.784  473.172   19.376  419.785   8.7217  418.292   8.5723 1.492798 12.22914 
1 1 1    0    4   40 o  871.749   13.146  2062.09   58.352  2060.26   71.428  2065.77  101.174  871.859   15.161  871.639   21.481 0.2203979 26.29221 
1 1 1    0    4   41 o  1213.87   14.651  4005.89   96.089  4038.59  137.133  3974.35  134.682  1218.69   20.824  1209.04   20.615 9.654053 29.30188 
1 1 1    0    4   42 o  834.978   12.726  1893.73   53.923  1897.75   94.110  1891.77   65.795  834.798   20.863  835.158   14.579 -0.3597412 25.45195 
1 1 1    0    4   43 o  814.745   10.093  1800.29   44.429  1780.16   62.226  1821.23   63.457  810.113   14.215  819.377   14.332 -9.264099 20.18565 
1 1 1    0    4   44 o  460.961   6.5130  574.771   16.214  558.002   22.484  592.942   23.405  453.968   9.1656  467.955   9.2557 -13.98703 13.02600 
1 1 1    0    4   45 o  948.099   11.631  2446.45   59.578  2471.11   85.215  2422.87   83.329  952.727   16.552  943.470   16.345 9.256836 23.26223 
1 1 1    0    4   46 o  387.501   7.1442  403.478   14.083  417.568   24.661  396.660   17.155  392.269   11.634  382.733   8.2949 9.535522 14.28844 
1 1 1    0    4   47 o  407.229   6.1094  448.927   13.437  433.064   18.655  466.030   19.370  399.761   8.6358  414.697   8.6441 -14.93536 12.21870 
1 1 1    0    4   48 o  267.837   6.5874  195.654   9.1651  198.546   11.523  190.676   15.121  270.697   7.8777  264.978   10.560 5.719055 13.17482 
1 1 1    0    4   49 o   61.488   12.996   9.9105   4.7941   14.863   7.2353   6.0347   6.4009   72.131   18.480   50.844   18.279 21.28769 25.99295 
1 1 1    0    4   50 o  194.659   5.8550  103.156   6.1380   95.070   8.7798  110.886   8.5845  187.131   8.6826  202.186   7.8573 -15.05490 11.71006 
1 1 1    0    4   51 o  277.959   5.4181  209.473   8.1326  213.071   11.752  206.166   11.266  280.233   7.7610  275.685   7.5623 4.548859 10.83614 
1 1 1    0    4   52 o   85.579   10.907   20.778   4.7918   33.189   7.1154   10.479   6.4820  110.158   11.953   60.999   18.248 49.15919 21.81456 
1 1 1    0    4   53 o  180.181   6.0754   88.443   5.9058   86.152   8.5276   90.555   8.1870  177.894   8.8711  182.469   8.3032 -4.574753 12.15077 
1 1 1    0    4   54 o  146.732   6.8366   58.995   5.3972   55.074   7.8260   62.553   7.4534  141.980   10.201  151.484   9.1054 -9.504074 13.67330 
1 1 1    0    4   55 o  233.783   7.6510  149.943   9.6581  157.432   13.722  142.590   13.597  239.641   10.596  227.925   11.039 11.71637 15.30201 
1 1 1    0    4   56 o  261.047   7.5009  186.975   10.577  181.059   14.761  193.221   15.165  256.793   10.638  265.301   10.578 -8.508148 15.00179 
1 1 1    0    4   57 o  178.884   7.4035   88.258   6.9308   89.010   8.7969   87.027   11.254  180.299   9.0292  177.470   11.735 2.828781 14.80702 
1 1 1    0    4   58 o  139.315   7.4840   54.322   5.5467   46.548   8.1673   60.977   7.5565  129.621   11.660  149.009   9.3848 -19.38747 14.96797 
1 1 1    0    4   59 o  163.924   9.9300   76.484   8.6812   68.446   12.880   83.176   11.752  155.299   15.348  172.549   12.604 -17.24983 19.86005 
1 1 1    0    4   60 o  166.924   9.7247   77.841   8.6951   83.626   13.372   73.604   11.445  171.921   14.394  161.927   13.080 9.993973 19.44934 
1 1 1    0    4   61 o  147.654   7.3002   60.496   5.7647   60.778   8.8074   60.284   7.6250  147.672   11.037  147.637   9.5578 0.3550720E-01 14.60045 
1 1 1    0    4   62 o  252.853   5.7758  175.946   7.8834  178.693   11.449  173.470   10.871  254.638   8.3208  251.068   8.0128 3.569931 11.55162 
1 1 1    0    4   63 o  146.890   7.6197   60.529   6.0233   56.593   8.7144   64.129   8.3347  142.031   11.355  151.750   10.164 -9.718887 15.23932 
1 1 1    0    4   64 o   69.137   13.821   14.945   5.3639   16.689   8.1217   13.596   7.1435   72.402   20.065   65.871   19.012 6.531288 27.64174 
1 1 1    0    4   65 f   59.404   14.271   10.578   5.5436   13.960   8.1769   7.7011   7.5414   65.906   20.648   52.903   19.705 13.00343 28.54134 
1 1 1    0    4   66 o   98.290   11.629   29.356   6.0236   32.829   8.7616   26.243   8.2950  104.900   15.457   91.679   17.380 13.22062 23.25877 
1 1 1    0    4   67 o   56.778   14.486   9.3164   5.9551   4.7202   8.6514   13.455   8.2095   49.123   20.222   64.433   20.748 -15.30934 28.97272 
1 1 1    0    4   68 o  159.714   7.7525   74.546   6.6834   72.548   9.5788   76.442   9.3296  157.288   11.270  162.140   10.648 -4.851395 15.50493 
1 1 1    0    4   69 o   62.671   13.095   12.546   5.9681  -0.4504   8.8739   23.279   8.0645   41.526   18.719   83.815   18.318 -42.28957 26.19016 
1 1 1    0    5    1 o  1203.15   20.321  3917.38  132.116  3917.38  132.116   0.0000   0.0000  1203.15   20.321  ?   ?       ?      ? 
1 1 1    0    5    5 o  646.606   8.0115  1128.34   27.953  1166.20   40.851  1095.01   38.333  656.781   11.510  636.431   11.147 20.34979 16.02290 
1 1 1    0    5    8 o  1026.09   12.318  2845.15   68.244  2915.35   98.990  2781.56   94.209  1038.13   17.646  1014.06   17.193 24.06927 24.63696 
1 1 1    0    5    9 o  749.958   9.1706  1519.89   37.151  1496.17   51.735  1545.14   53.384  743.923   12.870  755.993   13.068 -12.06970 18.34112 
1 1 1    0    5   10 o  900.547   10.894  2192.77   53.007  2173.44   74.358  2212.75   75.582  896.514   15.349  904.581   15.463 -8.067139 21.78735 
1 1 1    0    5   11 o  834.827   10.129  1884.37   45.691  1894.65   65.003  1874.33   64.239  837.076   14.371  832.579   14.279 4.497131 20.25821 
1 1 1    0    5   12 o  1267.30   15.114  4347.32  103.499  4365.44  146.972  4329.49  145.774  1269.92   21.418  1264.68   21.331 5.230469 30.22787 
1 1 1    0    5   13 o   93.762   4.2494   23.768   2.1515   24.766   3.0409   22.768   3.0446   95.733   5.8782   91.791   6.1381 3.942085 8.498847 
1 1 1    0    5   14 o  948.686   11.435  2434.89   58.622  2429.85   82.751  2439.96   83.057  947.702   16.159  949.669   16.185 -1.967041 22.87068 
1 1 1    0    5   15 o  543.068   6.8940  797.085   20.228  788.665   28.330  805.842   28.892  540.144   9.7062  545.992   9.7926 -5.848083 13.78791 
1 1 1    0    5   16 o  993.054   11.952  2668.02   64.115  2628.21   89.272  2710.43   92.141  985.420   16.765  1000.69   17.040 -15.26630 23.90451 
1 1 1    0    5   17 f  492.185   6.3564  654.789   16.902  663.321   24.212  646.679   23.605  495.309   9.0462  489.061   8.9320 6.248291 12.71277 
1 1 1    0    5   18 o  530.260   6.7683  759.961   19.385  745.070   26.944  775.941   27.912  524.883   9.4997  535.638   9.6434 -10.75562 13.53660 
1 1 1    0    5   19 o  243.149   4.1509  159.292   5.4452  150.081   7.4564  169.818   7.9706  235.641   5.8559  250.657   5.8847 -15.01523 8.301846 
1 1 1    0    5   20 o  261.787   6.0005  185.241   8.4883   0.0000   0.0000  185.241   8.4883  ?   ?   261.787   6.0005      ?      ? 
1 1 1    0    5   21 o  110.535   4.4501   33.026   2.6580   33.318   3.7683   32.737   3.7497  111.021   6.2813  110.049   6.3055 0.9717636 8.900237 
1 1 1    0    5   22 o   81.756   5.3094   18.087   2.3416   19.400   3.3233   16.792   3.2998   84.706   7.2605   78.805   7.7490 5.901390 10.61888 
1 1 1    0    5   23 o  381.397   5.3002  393.211   10.921  398.798   15.650  387.908   15.246  384.034   7.5415  378.759   7.4493 5.275665 10.60034 
1 1 1    0    5   24 o  239.492   5.0469  156.367   6.2771  150.338   10.327  159.899   7.9051  235.775   8.1057  243.209   6.0151 -7.434235 10.09371 
1 1 1    0    5   25 o  633.083   11.148  1086.45   38.136  1091.22   54.151  1081.76   53.717  634.457   15.795  631.709   15.736 2.748108 22.29596 
1 1 1    0    5   26 o  295.910   6.3235  236.822   10.111  236.261   14.264  237.387   14.335  295.558   8.9311  296.261   8.9543 -0.7027588 12.64691 
1 1 1    0    5   27 o  569.432   8.8611  874.433   25.662  868.196   31.324  887.162   44.751  566.526   10.232  572.339   14.470 -5.812439 17.72215 
1 1 1    0    5   28 o  162.660   4.4264   71.472   3.8886   72.764   5.6090   70.275   5.3958  164.074   6.3264  161.245   6.1927 2.829407 8.852852 
1 1 1    0    5   29 o  605.089   9.3740  997.934   29.174  1014.33   36.251  967.793   49.147  612.359   10.955  597.820   15.214 14.53894 18.74801 
1 1 1    0    5   30 o   65.438   12.884   11.791   4.7073   13.426   7.0921   10.505   6.2934   69.217   18.574   61.659   17.859 7.558052 25.76748 
1 1 1    0    5   31 o  1006.93   17.293  2751.80   94.082  2725.23  131.964  2779.28  134.168  1002.00   24.372  1011.86   24.538 -9.856506 34.58524 
1 1 1    0    5   32 o  941.239   11.422  2398.35   58.086  2420.83   82.942  2376.72   81.374  945.556   16.233  936.921   16.073 8.635193 22.84397 
1 1 1    0    5   33 o  784.830   9.6583  1666.91   40.960  1669.87   58.036  1663.97   57.818  785.523   13.673  784.136   13.645 1.387146 19.31670 
1 1 1    0    5   34 o  601.914   7.6783  979.885   24.974  981.647   35.406  978.141   35.231  602.451   10.876  601.376   10.842 1.074707 15.35669 
1 1 1    0    5   35 o  789.561   9.7358  1687.29   41.537  1681.16   58.579  1693.48   58.908  788.121   13.755  791.001   13.782 -2.879700 19.47151 
1 1 1    0    5   36 o  241.434   4.9937  157.605   6.5135  155.783   9.2765  159.378   9.1477  240.055   7.1513  242.813   6.9719 -2.757706 9.987423 
1 1 1    0    5   37 o  682.515   8.5894  1260.82   31.677  1263.59   45.003  1258.09   44.597  683.254   12.189  681.775   12.105 1.479004 17.17871 
1 1 1    0    5   38 o  618.952   7.9568  1036.41   26.608  1047.62   38.065  1025.71   37.208  622.217   11.321  615.688   11.184 6.529053 15.91362 
1 1 1    0    5   39 o  729.665   11.263  1434.41   41.492  1418.51   50.254  1468.47   73.542  723.782   12.849  735.549   18.503 -11.76691 22.52676 
1 1 1    0    5   40 o  497.468   6.8647  667.925   18.428  640.446   25.259  699.193   26.944  486.562   9.6070  508.374   9.8084 -21.81259 13.72949 
1 1 1    0    5   41 o  652.539   10.332  1151.54   34.014  1162.84   60.164  1146.24   41.237  654.477   17.012  650.601   11.730 3.875977 20.66372 
1 1 1    0    5   42 o  439.551   6.3439  522.422   15.058  531.556   21.772  514.049   20.847  443.222   9.0907  435.879   8.8509 7.342987 12.68774 
1 1 1    0    5   43 o  207.385   5.8930  116.018   6.5937  123.629   9.6463  109.344   9.0336  213.748   8.3516  201.021   8.3163 12.72684 11.78601 
1 1 1    0    5   44 o  444.235   6.3788  534.339   15.312  531.561   21.660  537.115   21.649  443.078   9.0469  445.392   8.9950 -2.313934 12.75761 
1 1 1    0    5   45 o  916.063   11.261  2283.34   55.728  2310.69   79.844  2257.35   77.817  921.364   16.037  910.763   15.812 10.60156 22.52110 
1 1 1    0    5   46 o  414.831   6.1849  466.149   13.860  467.712   19.870  464.668   19.342  415.495   8.8498  414.167   8.6426 1.327972 12.36984 
1 1 1    0    5   47 o  231.910   6.6638  146.864   7.9484  142.500   13.390  149.238   9.8767  229.095   10.816  234.725   7.7869 -5.630081 13.32765 
1 1 1    0    5   48 o  366.747   6.9925  363.528   13.180  360.012   16.258  370.270   22.512  364.432   8.2557  369.063   11.288 -4.630310 13.98494 
1 1 1    0    5   49 f  253.439   6.4893  174.325   8.5216  174.099   10.635  174.730   14.243  253.389   7.7673  253.488   10.398 -0.9848022E-01 12.97866 
1 1 1    0    5   50 o  106.382   8.9558   30.826   5.1420   32.215   7.5032   29.597   7.0606  108.626   12.783  104.138   12.547 4.488396 17.91168 
1 1 1    0    5   51 o   81.196   11.468   18.700   4.8337   19.516   7.2510   18.047   6.4848   82.702   16.799   79.691   15.617 3.010651 22.93680 
1 1 1    0    5   52 o  232.770   5.4937  146.924   6.8902  150.527   10.187  143.885   9.3548  235.356   8.0098  230.184   7.5210 5.172913 10.98736 
1 1 1    0    5   53 o   93.439   10.339   25.072   4.9378   18.899   7.1611   30.667   6.8179   81.081   16.893  105.797   11.926 -24.71540 20.67814 
1 1 1    0    5   54 o  256.123   7.3434  179.383   10.162  180.540   14.498  178.266   14.249  256.918   10.443  255.329   10.327 1.589432 14.68676 
1 1 1    0    5   55 o  266.377   7.4187  193.740   10.656  209.414   15.668  180.248   14.536  276.360   10.491  256.393   10.492 19.96671 14.83741 
1 1 1    0    5   56 o  479.784   8.2636  634.899   20.405  635.983   25.300  632.883   34.512  481.830   9.7172  477.738   13.369 4.092712 16.52718 
1 1 1    0    5   57 o  119.121   8.4804   39.884   5.3706   33.461   7.8400   45.564   7.3720  109.630   13.234  128.612   10.608 -18.98151 16.96070 
1 1 1    0    5   58 o  229.307   5.7804  143.871   7.1564  144.038   10.337  143.718   9.9170  229.375   8.3403  229.238   8.0058 0.1366119 11.56085 
1 1 1    0    5   59 o   40.470   13.404  -8.3672   7.2860  -8.6486   11.052  -8.1509   9.6900   41.923   19.606   39.017   18.282 2.906559 26.80770 
1 1 1    0    5   60 o  201.900   9.0646  113.798   9.7945  118.559   15.042  110.293   12.905  205.095   13.572  198.706   12.019 6.388947 18.12920 
1 1 1    0    5   61 o  184.073   6.4158   92.476   6.3449  105.662   9.5798   82.172   8.4686  195.633   9.0620  172.513   9.0845 23.12027 12.83155 
1 1 1    0    5   62 o  179.908   6.5385   89.207   6.3341   95.015   9.4524   84.473   8.5334  185.098   9.4505  174.719   9.0385 10.37833 13.07691 
1 1 1    0    5   63 o   41.733   12.639  -0.5339   5.2149   4.8884   7.9599  -4.6113   6.9026   49.326   19.726   34.141   15.805 15.18564 25.27710 
1 1 1    0    5   64 o  112.003   9.4909   36.281   5.6974   32.688   8.2782   39.514   7.8534  106.180   14.428  117.826   12.335 -11.64614 18.98172 
1 1 1    0    5   65 o   79.664   13.235   20.677   5.6959   15.166   8.2963   25.592   7.8340   68.003   20.713   91.326   16.481 -23.32360 26.46952 
1 1 1    0    5   66 o   68.016   13.755   14.197   5.8541   23.599   8.6003   6.0794   7.9912   85.858   19.036   50.173   19.861 35.68475 27.51081 
1 1 1    0    5   67 o   45.781   13.465   2.0379   5.7488   8.1678   8.5355  -3.0515   7.7774   54.134   20.782   37.427   17.126 16.70700 26.92930 
1 1 1    0    5   68 o   56.973   14.586   11.318   5.7676   11.128   8.5936   11.474   7.7801   56.610   21.045   57.336   20.201 -0.7263260 29.17147 
1 1 1    0    5   69 o   74.057   14.418   19.275   5.9430   22.300   8.9244   16.865   7.9662   79.141   20.650   68.972   20.126 10.16854 28.83578 
1 1 1    0    6    1 o  885.139   15.167  2119.09   72.546   0.0000   0.0000  2119.09   72.546  ?   ?   885.139   15.167      ?      ? 
1 1 1    0    6    2 o  865.436   10.489  2025.66   49.053  2023.44   69.289  2027.89   69.455  864.961   14.824  865.911   14.844 -0.9494019 20.97852 
1 1 1    0    6    3 o  741.245   9.1042  1485.61   36.466  1484.48   51.513  1486.74   51.629  740.964   12.866  741.526   12.885 -0.5610352 18.20835 
1 1 1    0    6    4 o  558.694   7.0663  843.584   21.331  835.528   29.910  851.921   30.429  555.981   9.9557  561.407   10.031 -5.426147 14.13257 
1 1 1    0    6    6 o  811.837   9.8796  1781.14   43.323  1812.00   62.343  1752.32   60.246  818.628   14.093  805.045   13.849 13.58337 19.75912 
1 1 1    0    6    9 o  462.686   6.0516  577.759   15.115  595.578   21.988  561.796   20.811  469.439   8.6680  455.934   8.4471 13.50485 12.10328 
1 1 1    0    6   10 o  920.906   11.122  2293.58   55.343  2287.68   78.079  2299.55   78.457  919.716   15.711  922.097   15.746 -2.381287 22.24315 
1 1 1    0    6   11 o  1696.73   20.146  7805.95  184.699  7752.53  259.373  7860.90  263.075  1690.87   28.387  1702.60   28.594 -11.73181 40.29242 
1 1 1    0    6   12 o  326.450   4.7466  287.994   8.3731  286.897   11.821  289.098   11.862  325.826   6.7139  327.074   6.7116 -1.247559 9.493238 
1 1 1    0    6   13 f  1204.61   14.397  3928.91   93.714  3938.74  132.886  3919.18  132.180  1206.10   20.390  1203.11   20.332 2.991333 28.79422 
1 1 1    0    6   14 o  1417.81   16.894  5447.91  129.430  5462.77  183.614  5433.23  182.474  1419.72   23.934  1415.89   23.850 3.829224 33.78815 
1 1 1    0    6   15 o  826.554   10.060  1844.60   44.861  1785.50   61.395  1912.31   65.711  812.396   13.985  840.713   14.465 -28.31616 20.11999 
1 1 1    0    6   16 o  390.052   5.3483  411.274   11.273  410.465   15.949  412.081   15.935  389.669   7.5744  390.435   7.5529 -0.7668762 10.69668 
1 1 1    0    6   17 o  589.457   7.4302  939.838   23.666  933.875   33.331  945.900   33.609  587.572   10.498  591.342   10.518 -3.769592 14.86046 
1 1 1    0    6   18 o  168.634   5.6149   76.860   5.1165   0.0000   0.0000   76.860   5.1165  ?   ?   168.634   5.6149      ?      ? 
1 1 1    0    6   19 o  802.445   9.8022  1743.50   42.501  1730.98   59.690  1756.38   60.530  799.529   13.816  805.360   13.909 -5.831360 19.60444 
1 1 1    0    6   20 o  158.693   4.0322   68.164   3.4524   64.326   4.9094   71.918   4.8559  154.266   5.8894  163.120   5.5090 -8.853851 8.064393 
1 1 1    0    6   21 o  317.634   4.7649  272.754   8.1782  269.815   11.556  275.704   11.576  315.918   6.7692  319.349   6.7080 -3.431122 9.529870 
1 1 1    0    6   22 o  299.106   4.6395  241.865   7.4981  241.828   10.674  241.900   10.535  299.082   6.6047  299.129   6.5176 -0.4660034E-01 9.279072 
1 1 1    0    6   23 o   85.296   6.8004   19.642   3.1047   19.977   4.7459   19.392   4.1050   85.923   10.222   84.669   8.9722 1.253738 13.60089 
1 1 1    0    6   24 o  732.572   12.734  1455.88   50.397  1476.13   72.275  1436.71   70.310  737.506   18.136  727.638   17.882 9.867859 25.46894 
1 1 1    0    6   25 f  246.477   5.8774  164.282   7.8278  162.860   11.039  165.721   11.102  245.404   8.3242  247.551   8.2995 -2.146317 11.75471 
1 1 1    0    6   26 o  472.523   6.2592  603.662   15.979  595.326   22.344  612.387   22.861  469.188   8.8130  475.859   8.8904 -6.671631 12.51830 
1 1 1    0    6   27 o  206.764   4.3769  115.401   4.8870  119.992   7.0691  111.200   6.7634  210.697   6.2090  202.831   6.1708 7.865601 8.753888 
1 1 1    0    6   28 o  1498.98   17.936  6102.37  145.125  5951.50  199.703  6271.20  211.259  1479.52   24.979  1518.45   25.747 -38.92261 35.87289 
1 1 1    0    6   29 o  651.823   11.672  1150.56   41.105  1160.81   58.796  1140.77   57.490  654.651   16.621  648.996   16.393 5.654907 23.34484 
1 1 1    0    6   30 o  1141.07   19.505  3539.41  120.269  3533.78  169.969  3545.04  170.203  1140.16   27.588  1141.98   27.582 -1.816895 39.01054 
1 1 1    0    6   31 o  1112.83   16.496  3352.41   93.032  3382.88  163.114  3337.71  113.259  1115.76   27.054  1109.91   18.884 5.847778 32.99295 
1 1 1    0    6   32 o  1090.14   13.136  3220.12   77.374  3198.71  108.695  3242.11  110.167  1086.48   18.514  1093.80   18.639 -7.325195 26.27141 
1 1 1    0    6   33 o  183.377   4.9260   90.637   4.8740   97.212   7.1036   84.787   6.6999  189.644   6.9319  177.110   7.0007 12.53436 9.851941 
1 1 1    0    6   34 o  849.556   10.402  1953.82   47.751  1954.08   67.560  1953.57   67.501  849.612   14.716  849.501   14.705 0.1107178 20.80335 
1 1 1    0    6   35 o  609.780   7.8031  1005.67   25.709  994.800   36.015  1016.96   36.710  606.425   10.991  613.136   11.080 -6.710632 15.60629 
1 1 1    0    6   36 o  120.558   6.9919   39.302   4.5541   38.760   6.3654   39.871   6.5181  119.707   9.8406  121.409   9.9354 -1.702148 13.98388 
1 1 1    0    6   37 o  775.720   9.6252  1629.36   40.345  1620.54   56.823  1638.34   57.294  773.604   13.593  777.836   13.631 -4.231567 19.25032 
1 1 1    0    6   38 o  891.061   13.413  2156.21   60.912  2159.11   74.676  2150.45  105.295  892.616   15.482  889.507   21.906 3.109436 26.82501 
1 1 1    0    6   39 o  576.750   9.3731  887.563   27.006  866.709   32.319  935.811   49.159  565.945   10.568  587.556   15.483 -21.61102 18.74618 
1 1 1    0    6   40 o  464.533   8.2199  577.547   19.008  601.126   34.718  567.454   22.715  471.057   13.639  458.009   9.1780 13.04877 16.43972 
1 1 1    0    6   41 o  502.402   6.9004  683.126   18.733  675.483   26.451  690.816   26.533  499.579   9.7982  505.224   9.7190 -5.645020 13.80087 
1 1 1    0    6   42 o  639.967   8.2176  1109.36   28.418  1106.77   40.205  1111.95   40.173  639.217   11.640  640.717   11.603 -1.499939 16.43525 
1 1 1    0    6   43 o  320.638   5.6360  278.135   9.7629  281.454   13.981  274.976   13.639  322.501   8.0226  318.775   7.9180 3.726288 11.27195 
1 1 1    0    6   44 o  141.489   7.5170   54.444   5.7089   46.964   8.0351   62.068   8.1127  131.614   11.298  151.365   9.9186 -19.75125 15.03406 
1 1 1    0    6   45 o  579.044   7.6197  909.111   23.840  912.534   33.935  905.776   33.499  580.111   10.826  577.978   10.726 2.132813 15.23938 
1 1 1    0    6   46 o  928.499   11.432  2352.39   57.354  2363.75   81.583  2341.28   80.648  930.685   16.222  926.313   16.112 4.372131 22.86371 
1 1 1    0    6   47 o  155.029   7.9073   66.677   6.3168   60.428   10.390   70.341   7.9560  149.004   12.905  161.055   9.1418 -12.05099 15.81463 
1 1 1    0    6   48 o  472.235   7.9414  604.917   19.166  611.261   33.050  601.703   23.525  473.601   12.914  470.870   9.2456 2.731384 15.88278 
1 1 1    0    6   49 o  202.495   6.8278  113.456   7.2510  121.106   9.3913  102.162   11.410  211.264   8.2264  193.726   10.900 17.53816 13.65554 
1 1 1    0    6   50 f  340.732   5.6673  314.926   10.431  318.126   14.985  311.918   14.528  342.395   8.0994  339.069   7.9293 3.326874 11.33465 
1 1 1    0    6   51 o  154.772   6.6373   65.195   5.5394   64.925   8.0909   65.434   7.5998  154.433   9.6955  155.111   9.0672 -0.6778870 13.27465 
1 1 1    0    6   52 o  123.312   7.8484   42.226   5.1356   34.106   7.4114   49.725   7.1227  111.564   12.294  135.060   9.7596 -23.49538 15.69680 
1 1 1    0    6   53 o  140.144   9.3230   53.504   6.9822   65.811   10.386   43.356   9.4314  154.851   12.412  125.437   13.914 29.41457 18.64593 
1 1 1    0    6   54 o  173.226   8.2586   82.384   7.7273   83.829   11.123   81.036   10.743  174.668   11.785  171.784   11.573 2.883133 16.51720 
1 1 1    0    6   55 o  176.630   7.2617   83.528   6.7894   76.284   8.6270   95.315   11.005  166.974   9.5614  186.286   10.932 -19.31215 14.52349 
1 1 1    0    6   56 o  244.067   5.5544  162.169   7.3110  167.099   10.741  157.914   9.9793  247.464   8.0327  240.670   7.6735 6.793930 11.10883 
1 1 1    0    6   57 o  252.066   5.5641  173.194   7.5670  180.743   11.085  166.606   10.355  257.159   7.9772  246.973   7.7591 10.18559 11.12825 
1 1 1    0    6   58 o  279.871   5.5863  213.308   8.4189  225.306   12.553  203.500   11.350  286.905   8.0971  272.837   7.6982 14.06802 11.17257 
1 1 1    0    6   59 o  190.756   9.4410  102.131   9.5952  102.748   14.861  101.689   12.565  190.640   14.426  190.872   12.183 -0.2325745 18.88209 
1 1 1    0    6   60 o  113.638   13.500   37.514   7.9839   48.491   12.292   29.504   10.500  129.139   17.615   98.137   20.463 31.00145 27.00081 
1 1 1    0    6   61 o  150.152   7.2648   62.685   5.8740   62.624   8.6677   62.736   7.9881  149.906   10.700  150.398   9.8291 -0.4920349 14.52951 
1 1 1    0    6   62 o   72.836   12.878   16.029   5.1896   22.213   7.6697   10.807   7.0481   85.763   17.149   59.909   19.218 25.85423 25.75679 
1 1 1    0    6   63 o  279.735   5.7472  213.845   8.6409  236.024   13.073  196.635   11.515  292.391   8.2739  267.079   7.9789 25.31094 11.49432 
1 1 1    0    6   64 o  144.822   7.6513   58.753   5.9688   62.162   8.8780   55.942   8.0629  148.508   11.063  141.136   10.572 7.372253 15.30251 
1 1 1    0    6   65 o  112.951   9.7763   38.169   5.7553   27.847   8.2310   48.042   8.0503   96.308   15.816  129.594   11.496 -33.28646 19.55267 
1 1 1    0    6   66 o  159.474   7.6514   71.903   6.5854   74.464   9.6080   69.634   9.0439  162.043   10.973  156.905   10.667 5.138733 15.30289 
1 1 1    0    6   67 f   65.127   14.604   14.170   5.8562   17.744   8.5134   10.960   8.0682   72.082   20.741   58.171   20.564 13.91148 29.20699 
1 1 1    0    6   68 o  132.638   8.7381   52.344   6.1879   46.655   9.0837   57.269   8.4524  124.806   13.469  140.471   11.135 -15.66491 17.47611 
1 1 1    0    6   69 f   87.935   13.063   26.042   5.9662   29.661   9.1581   23.374   7.8639   92.902   18.886   82.968   18.053 9.933693 26.12698 
1 1 1    0    7    1 o  973.847   23.466  2567.57  123.487  2567.57  123.487   0.0000   0.0000  973.847   23.466  ?   ?       ?      ? 
1 1 1    0    7    3 o  1069.35   18.172  3093.30  105.003   0.0000   0.0000  3093.30  105.003  ?   ?   1069.35   18.172      ?      ? 
1 1 1    0    7    5 o  791.002   13.686  1691.67   58.500   0.0000   0.0000  1691.67   58.500  ?   ?   791.002   13.686      ?      ? 
1 1 1    0    7    7 o  162.683   5.6254   71.515   4.9452   0.0000   0.0000   71.515   4.9452  ?   ?   162.683   5.6254      ?      ? 
1 1 1    0    7    8 o  481.288   6.2818  625.968   16.336  619.915   22.914  632.224   23.294  478.923   8.8543  483.653   8.9131 -4.730194 12.56356 
1 1 1    0    7   10 o  662.335   8.2257  1186.01   29.439  1180.49   41.468  1191.62   41.801  660.782   11.614  663.887   11.652 -3.105225 16.45133 
1 1 1    0    7   11 f  1196.39   14.315  3875.33   92.544  3886.50  131.296  3864.30  130.462  1198.10   20.280  1194.68   20.209 3.417847 28.63022 
1 1 1    0    7   12 o  979.522   11.813  2596.13   62.526  2593.24   88.334  2599.03   88.516  978.977   16.698  980.068   16.714 -1.090942 23.62590 
1 1 1    0    7   13 o  169.968   3.9974   78.064   3.6698   78.222   5.2725   77.916   5.1110  170.135   5.7351  169.802   5.5702 0.3327789 7.994887 
1 1 1    0    7   14 o  134.195   5.8045   48.668   4.2091   0.0000   0.0000   48.668   4.2091  ?   ?   134.195   5.8045      ?      ? 
1 1 1    0    7   16 o  987.283   11.925  2641.60   63.620  2642.44   90.054  2640.76   89.889  987.437   16.877  987.129   16.852 0.3082275 23.85023 
1 1 1    0    7   17 o  499.918   6.4995  675.855   17.557  671.656   24.748  680.111   24.913  498.355   9.1899  501.481   9.1934 -3.126831 12.99895 
1 1 1    0    7   18 o  587.254   7.4307  932.441   23.569  949.834   33.965  916.289   32.731  592.525   10.608  581.983   10.408 10.54254 14.86131 
1 1 1    0    7   19 o  814.131   9.9528  1795.10   43.783  1783.95   61.591  1806.49   62.253  811.581   14.044  816.682   14.106 -5.100342 19.90556 
1 1 1    0    7   20 o  628.212   7.8934  1067.94   26.794  1059.39   37.680  1076.69   38.109  625.669   11.145  630.755   11.181 -5.085388 15.78682 
1 1 1    0    7   21 o  342.871   6.0290  320.454   10.710  309.009   17.731  327.028   13.438  337.961   9.7090  347.781   7.1505 -9.820251 12.05795 
1 1 1    0    7   22 o  284.212   6.2152  218.304   9.5409  210.338   13.280  226.802   13.716  278.857   8.8132  289.567   8.7659 -10.70984 12.43037 
1 1 1    0    7   23 o  425.625   8.0298  490.276   18.466  492.568   26.346  488.063   25.889  426.597   11.429  424.652   11.282 1.945465 16.05962 
1 1 1    0    7   24 o  495.531   7.8961  661.179   19.942  654.571   24.377  674.549   34.676  491.938   9.1703  499.123   12.857 -7.185516 15.79224 
1 1 1    0    7   25 o  1067.75   12.882  3092.51   74.318  3113.75  105.897  3071.90  104.323  1071.35   18.292  1064.16   18.142 7.188477 25.76317 
1 1 1    0    7   26 o  375.884   5.3989  381.879   10.963  385.840   15.726  378.134   15.291  377.778   7.7037  373.990   7.5662 3.787384 10.79786 
1 1 1    0    7   27 o  775.862   9.5536  1628.37   40.034  1597.21   55.583  1661.97   57.711  768.166   13.390  783.557   13.630 -15.39111 19.10718 
1 1 1    0    7   28 o  684.468   12.201  1268.83   45.111  1286.71   64.808  1252.03   62.831  689.128   17.404  679.809   17.104 9.318848 24.40154 
1 1 1    0    7   29 o  491.866   9.4139  654.626   25.021  652.703   35.466  656.531   35.304  491.144   13.363  492.588   13.263 -1.443848 18.82782 
1 1 1    0    7   30 o  825.985   14.420  1848.86   64.350  1868.47   92.118  1830.18   89.931  830.242   20.533  821.728   20.253 8.514343 28.84089 
1 1 1    0    7   31 o  312.552   5.0181  264.090   8.4738  259.463   12.011  268.676   11.957  309.824   7.1742  315.279   7.0182 -5.454987 10.03616 
1 1 1    0    7   32 o  263.392   6.9005  187.518   9.8213   0.0000   0.0000  187.518   9.8213  ?   ?   263.392   6.9005      ?      ? 
1 1 1    0    7   33 o  768.673   9.5065  1598.64   39.481  1581.19   55.270  1616.83   56.418  764.395   13.381  772.950   13.507 -8.555542 19.01306 
1 1 1    0    7   34 o  570.888   7.4144  881.483   22.873  879.063   32.321  883.911   32.372  570.102   10.492  571.673   10.479 -1.570740 14.82882 
1 1 1    0    7   35 o  665.141   8.4096  1196.62   30.216  1176.64   42.075  1217.91   43.419  659.416   11.808  670.866   11.977 -11.45026 16.81921 
1 1 1    0    7   36 o  143.683   6.4783   55.665   5.0170   61.601   7.3011   50.354   6.9057  150.922   8.9525  136.445   9.3662 14.47729 12.95662 
1 1 1    0    7   37 o  691.080   10.769  1287.13   37.584  1274.97   45.548  1313.06   66.530  686.328   12.281  695.832   17.694 -9.504211 21.53853 
1 1 1    0    7   38 o  687.193   10.709  1274.35   37.247  1264.29   45.252  1295.49   65.591  683.370   12.254  691.016   17.566 -7.646790 21.41781 
1 1 1    0    7   39 o  765.050   11.823  1582.01   45.645  1602.70   80.760  1572.30   55.329  768.195   19.455  761.904   13.439 6.291138 23.64566 
1 1 1    0    7   40 o  569.250   9.3693  871.766   26.706  894.820   48.100  861.493   32.109  574.347   15.498  564.153   10.533 10.19360 18.73861 
1 1 1    0    7   41 o  386.440   5.9761  403.924   12.478  397.628   17.509  410.423   17.788  383.380   8.4515  389.500   8.4514 -6.119812 11.95211 
1 1 1    0    7   42 o  327.917   5.7228  290.781   10.137  280.332   14.169  301.737   14.509  321.882   8.1462  333.951   8.0400 -12.06912 11.44559 
1 1 1    0    7   43 o  723.742   9.1203  1420.19   35.643  1452.07   51.590  1391.07   49.301  731.468   13.052  716.016   12.742 15.45172 18.24067 
1 1 1    0    7   44 o  348.317   5.7655  328.418   10.851  328.832   15.466  328.018   15.227  348.528   8.2118  348.106   8.0950 0.4221497 11.53099 
1 1 1    0    7   45 o  181.017   6.3356   89.071   6.1754   83.894   8.9412   93.793   8.5394  175.946   9.4044  186.088   8.4922 -10.14204 12.67122 
1 1 1    0    7   46 o  257.669   5.6194  179.876   7.8185  171.040   11.004  188.885   11.111  251.264   8.1048  264.074   7.7862 -12.81001 11.23888 
1 1 1    0    7   47 f  228.747   5.7214  141.951   7.0646  135.587   10.048  148.174   9.9351  223.652   8.3138  233.842   7.8625 -10.19057 11.44280 
1 1 1    0    7   48 o  205.641   6.8837  111.365   7.2395  125.653   12.772  104.602   8.7874  214.907   10.998  196.375   8.2811 18.53261 13.76739 
1 1 1    0    7   49 o  221.933   5.7940  133.702   6.9390  124.960   9.7624  142.628   9.8649  214.572   8.4197  229.295   7.9618 -14.72305 11.58798 
1 1 1    0    7   50 o  151.668   7.7915   63.342   6.1868   65.507   7.9103   59.932   9.9288  155.214   9.4313  148.121   12.405 7.093277 15.58303 
1 1 1    0    7   51 o  164.427   6.4504   73.213   5.7167   80.160   8.4225   67.279   7.7845  171.628   9.0816  157.226   9.1626 14.40234 12.90073 
1 1 1    0    7   52 f   51.404   14.403   3.9046   6.0027   6.9640   8.8785   1.3286   8.1469   56.633   21.324   46.175   19.366 10.45861 28.80553 
1 1 1    0    7   53 o  383.510   8.1576  403.002   16.902  409.234   24.205  397.072   23.612  386.375   11.593  380.644   11.480 5.731354 16.31519 
1 1 1    0    7   54 o  202.130   6.8738  112.416   7.3709  115.479   9.6317  108.086   11.451  205.728   8.6641  198.532   10.674 7.195892 13.74757 
1 1 1    0    7   55 o  236.376   5.6029  152.235   7.1413  153.679   10.467  150.977   9.7676  237.361   8.1609  235.393   7.6790 1.968124 11.20571 
1 1 1    0    7   56 o   79.375   11.973   18.524   4.9495   17.584   7.4621   19.262   6.6137   77.152   18.195   81.599   15.567 -4.447144 23.94543 
1 1 1    0    7   57 o   78.231   11.959   17.658   4.8994   22.141   7.4448   14.233   6.5072   87.119   16.417   69.342   17.396 17.77703 23.91893 
1 1 1    0    7   58 o  100.413   10.986   30.725   5.4102   18.116   7.8453   42.158   7.4708   77.551   18.895  123.274   11.215 -45.72241 21.97267 
1 1 1    0    7   59 o  192.274   9.4888  104.141   9.7161  102.860   14.997  105.068   12.755  190.583   14.562  193.965   12.170 -3.382156 18.97753 
1 1 1    0    7   60 o  148.511   11.304   63.647   8.9698   62.432   13.640   64.572   11.906  146.521   17.228  150.501   14.640 -3.980087 22.60835 
1 1 1    0    7   61 o  242.439   5.9159  161.937   7.7168  162.532   11.463  161.445   10.436  242.627   8.7432  242.252   7.9719 0.3750458 11.83190 
1 1 1    0    7   62 o   41.671   12.453  -0.5798   5.0138   5.9167   7.7786  -5.1972   6.5578   50.817   19.749   32.524   15.175 18.29306 24.90553 
1 1 1    0    7   63 o  130.585   8.2597   49.105   5.7028   41.887   8.5416   54.910   7.6602  121.038   13.060  140.133   10.116 -19.09484 16.51935 
1 1 1    0    7   64 o   82.929   12.824   21.523   5.5790   20.366   8.1588   22.538   7.6459   80.203   19.099   85.656   17.118 -5.452751 25.64760 
1 1 1    0    7   65 o  165.492   7.2952   77.277   6.5143   82.662   9.5065   72.509   8.9443  170.930   10.292  160.054   10.342 10.87614 14.59050 
1 1 1    0    7   66 o  140.068   12.753   56.517   9.6524   56.517   9.6524   0.0000   0.0000  140.068   12.753  ?   ?       ?      ? 
1 1 1    0    7   67 o  157.638   7.7146   71.330   6.5279   83.184   9.8518   62.051   8.7158  169.311   10.768  145.965   11.050 23.34602 15.42929 
1 1 1    0    7   68 o  121.655   9.3249   43.874   6.1061   45.398   9.0962   42.623   8.2381  123.162   13.668  120.148   12.689 3.014725 18.64972 
1 1 1    0    7   69 o   96.965   12.204   31.354   6.2094   29.382   9.0738   33.091   8.5157   91.973   18.890  101.957   15.457 -9.983986 24.40760 
1 1 1    0    8    1 o  380.744   6.4498  390.929   12.479  394.369   21.771  389.246   15.229  381.968   10.548  379.521   7.4256 2.446838 12.89967 
1 1 1    0    8    2 o  893.789   10.861  2160.38   52.453  2166.81   74.458  2154.04   73.904  895.108   15.394  892.470   15.325 2.638123 21.72134 
1 1 1    0    8    3 o  1108.81   18.833  3326.67  112.844   0.0000   0.0000  3326.67  112.844  ?   ?   1108.81   18.833      ?      ? 
1 1 1    0    8    4 o  955.688   11.560  2470.52   59.699  2467.71   84.413  2473.32   84.441  955.145   16.355  956.231   16.342 -1.085693 23.12024 
1 1 1    0    8    5 o  412.663   5.6542  460.212   12.608  457.705   17.763  462.758   17.899  411.530   7.9876  413.795   8.0049 -2.265228 11.30844 
1 1 1    0    8    7 o  1027.93   12.379  2859.13   68.758  2865.95   97.476  2852.38   97.001  1029.14   17.528  1026.71   17.484 2.436035 24.75742 
1 1 1    0    8    8 f  391.037   5.4319  413.263   11.478  412.978   16.253  413.547   16.211  390.902   7.6944  391.172   7.6694 -0.2696838 10.86386 
1 1 1    0    8    9 o  390.220   5.4347  411.508   11.459  413.900   16.325  409.184   16.088  391.338   7.7198  389.103   7.6518 2.234772 10.86948 
1 1 1    0    8   11 o  352.049   5.1093  334.500   9.7092  344.654   14.133  325.424   13.361  357.101   7.3241  346.998   7.1258 10.10236 10.21854 
1 1 1    0    8   12 o  532.037   6.8699  765.289   19.748  770.111   28.170  760.629   27.693  533.683   9.7682  530.391   9.6626 3.291199 13.73979 
1 1 1    0    8   13 o  987.391   16.874  2641.47   90.032   0.0000   0.0000  2641.47   90.032  ?   ?   987.391   16.874      ?      ? 
1 1 1    0    8   14 o  659.011   8.2254  1175.02   29.290  1167.94   41.204  1182.26   41.645  657.006   11.606  661.017   11.659 -4.011230 16.45088 
1 1 1    0    8   15 o  393.070   5.4707  417.699   11.619  419.527   16.534  415.916   16.332  393.918   7.7675  392.221   7.7060 1.696960 10.94149 
1 1 1    0    8   16 o  1025.65   12.382  2852.18   68.624  2840.84   96.719  2863.68   97.382  1023.60   17.486  1027.70   17.536 -4.095215 24.76424 
1 1 1    0    8   17 o  165.732   4.2684   74.360   3.8108   67.329   5.3694   81.496   5.4094  157.822   6.2961  173.641   5.7651 -15.81952 8.536857 
1 1 1    0    8   18 o  428.889   5.8219  497.312   13.490  502.314   19.307  492.542   18.856  430.993   8.2901  426.785   8.1763 4.207825 11.64375 
1 1 1    0    8   19 f  810.085   12.172  1772.54   49.973  1801.80   87.771  1758.50   60.788  814.464   19.943  805.707   13.962 8.757507 24.34467 
1 1 1    0    8   20 o  487.873   8.9753  644.600   23.661  642.342   33.503  646.847   33.422  487.018   12.731  488.729   12.655 -1.711456 17.95069 
1 1 1    0    8   21 o  347.345   7.0249  326.393   13.184  320.946   18.527  331.982   18.766  344.408   9.9551  350.281   9.9142 -5.873444 14.04974 
1 1 1    0    8   22 o   95.211   6.4100   24.390   3.2890   22.628   4.4616   26.486   4.8676   91.465   9.0270   98.956   9.1031 -7.490105 12.82005 
1 1 1    0    8   23 o  263.638   4.5718  187.782   6.5093  190.974   9.3970  184.839   9.0252  265.789   6.5428  261.488   6.3873 4.300720 9.143667 
1 1 1    0    8   24 o  509.778   6.6721  702.850   18.379  698.057   25.864  707.738   26.121  508.023   9.4216  511.532   9.4498 -3.509186 13.34414 
1 1 1    0    8   25 f  555.319   7.1580  833.864   21.474  844.194   30.783  824.072   29.971  558.664   10.197  551.974   10.048 6.689209 14.31603 
1 1 1    0    8   26 o  1264.50   15.176  4337.12  103.629  4251.83  143.537  4429.97  149.770  1251.59   21.223  1277.41   21.697 -25.81702 30.35139 
1 1 1    0    8   27 o  181.802   7.6611   89.422   7.5240   88.153   10.723   90.653   10.560  180.528   10.992  183.076   10.674 -2.547867 15.32219 
1 1 1    0    8   28 o  497.967   9.5381  670.720   25.660  657.883   35.831  684.234   36.764  493.081   13.448  502.854   13.530 -9.773560 19.07626 
1 1 1    0    8   29 o  816.399   14.297  1806.29   63.066  1789.86   88.545  1823.20   89.848  812.640   20.164  820.158   20.273 -7.518127 28.59353 
1 1 1    0    8   30 o  369.042   5.4738  368.164   10.914  367.345   15.568  368.957   15.305  368.636   7.8152  369.448   7.6664 -0.8113098 10.94759 
1 1 1    0    8   31 o  256.806   4.8712  178.145   6.7531  180.668   9.8000  175.865   9.3188  258.534   7.0148  255.078   6.7608 3.455872 9.742497 
1 1 1    0    8   32 o  965.913   11.738  2526.42   61.256  2498.91   85.757  2555.09   87.530  960.555   16.522  971.271   16.677 -10.71576 23.47563 
1 1 1    0    8   33 o  307.275   5.2098  255.229   8.6500  251.968   12.211  258.514   12.255  305.304   7.4017  309.246   7.3336 -3.942200 10.41955 
1 1 1    0    8   34 o  572.645   7.4547  886.769   23.063  873.623   32.243  900.543   33.004  568.303   10.499  576.987   10.585 -8.683899 14.90930 
1 1 1    0    8   35 o  452.829   6.3485  553.870   15.523  537.222   21.450  572.176   22.493  445.697   8.9062  459.961   9.0496 -14.26385 12.69707 
1 1 1    0    8   36 o  1134.17   13.700  3490.95   83.963  3486.42  118.639  3495.49  118.846  1133.43   19.371  1134.90   19.379 -1.471436 27.40030 
1 1 1    0    8   37 o  358.935   7.3760  347.111   13.113  344.928   15.652  352.252   24.020  357.150   8.1101  360.721   12.323 -3.571075 14.75208 
1 1 1    0    8   38 f  397.379   7.6187  433.263   15.367  409.685   26.415  445.325   18.894  388.979   12.567  405.778   8.6167 -16.79926 15.23747 
1 1 1    0    8   39 o  298.841   7.3890  245.956   10.939  230.856   19.629  252.757   13.174  291.968   12.442  305.713   7.9749 -13.74588 14.77806 
1 1 1    0    8   40 o  726.062   9.1450  1428.11   35.871  1405.70   50.054  1451.77   51.432  720.220   12.861  731.904   13.004 -11.68390 18.29006 
1 1 1    0    8   41 o  277.923   7.9049  208.945   11.872   0.0000   0.0000  208.945   11.872  ?   ?   277.923   7.9049      ?      ? 
1 1 1    0    8   42 o  677.179   8.6370  1243.64   31.604  1243.84   44.836  1243.43   44.556  677.227   12.252  677.132   12.177 0.9490967E-01 17.27410 
1 1 1    0    8   43 o  314.803   5.6740  267.646   9.6400  250.522   13.310  286.538   13.981  304.231   8.0963  325.376   7.9516 -21.14490 11.34805 
1 1 1    0    8   44 o  535.947   7.1998  778.380   20.846  787.734   29.875  769.504   29.102  539.071   10.256  532.822   10.108 6.249268 14.39969 
1 1 1    0    8   45 o  909.982   11.237  2258.29   55.242  2225.28   77.085  2293.14   79.207  903.202   15.794  916.761   15.989 -13.55975 22.47441 
1 1 1    0    8   46 o  470.743   6.6160  600.947   16.828  593.314   23.603  608.837   23.998  467.707   9.3390  473.779   9.3738 -6.071838 13.23192 
1 1 1    0    8   47 o  106.442   9.0860   31.101   5.1698   25.956   7.3237   36.211   7.2987   97.526   13.897  115.358   11.709 -17.83230 18.17208 
1 1 1    0    8   48 o  213.300   5.7487  123.023   6.6005  127.995   9.8489  118.968   8.8932  217.170   8.3926  209.430   7.8584 7.740143 11.49740 
1 1 1    0    8   49 o  279.491   6.5307  215.662   9.4451  199.797   15.494  225.043   11.915  270.934   10.583  288.048   7.6548 -17.11328 13.06147 
1 1 1    0    8   50 o  114.771   9.6278   36.152   5.8731   36.329   7.6589   35.901   9.1503  115.265   12.297  114.277   14.818 0.9875031 19.25553 
1 1 1    0    8   51 f  112.900   10.936   35.149   6.6575   36.081   9.7912   34.347   9.0793  114.226   15.863  111.574   15.059 2.652367 21.87262 
1 1 1    0    8   52 o  238.771   7.3631  155.753   9.4952  162.185   13.477  149.414   13.380  243.710   10.234  233.831   10.589 9.878510 14.72621 
1 1 1    0    8   53 o   60.896   14.363   9.9820   5.4778   9.3205   7.1443   10.926   8.5328   58.519   19.388   63.273   21.195 -4.754105 28.72500 
1 1 1    0    8   54 o  194.008   5.9959  102.279   6.2672  108.015   9.3073   97.520   8.4771  198.923   8.6587  189.092   8.2964 9.831299 11.99177 
1 1 1    0    8   55 o   88.869   10.284   21.988   4.9319   22.622   7.1994   21.427   6.7698   90.026   14.799   87.712   14.283 2.313889 20.56776 
1 1 1    0    8   56 o  237.914   5.5506  154.458   7.1273  157.742   10.379  151.527   9.8047  240.257   7.9944  235.572   7.7024 4.684769 11.10117 
1 1 1    0    8   57 o  130.359   7.8838   47.782   5.4537   41.433   8.1482   52.934   7.3404  122.036   12.356  138.683   9.7950 -16.64694 15.76764 
1 1 1    0    8   58 o  282.293   6.9581  218.635   10.111  215.686   12.492  224.234   17.215  280.435   8.2438  284.150   11.212 -3.715332 13.91611 
1 1 1    0    8   59 o  150.228   10.936   64.242   8.8226   66.441   13.318   62.523   11.777  152.115   16.203  148.341   14.693 3.773849 21.87245 
1 1 1    0    8   60 o   48.644   15.166  -0.4212   7.7718  -1.7135   11.516   0.6597   10.532   48.392   21.606   48.897   21.289 -0.5055885 30.33205 
1 1 1    0    8   61 o   88.281   11.551   23.052   5.3664   22.839   7.9748   23.229   7.2547   86.777   17.609   89.784   14.953 -3.006676 23.10110 
1 1 1    0    8   62 f   55.898   13.927   8.8236   5.1912   9.5190   7.9141   8.2984   6.8775   57.608   20.366   54.187   19.001 3.420502 27.85320 
1 1 1    0    8   63 o  185.417   6.6269   95.360   6.6102   99.832   9.9072   91.772   8.8743  189.124   9.6943  181.709   9.0379 7.414597 13.25381 
1 1 1    0    8   64 o   93.662   11.862   26.898   5.7617   28.580   8.6072   25.532   7.7558   96.062   17.214   91.263   16.326 4.798897 23.72468 
1 1 1    0    8   65 o  153.493   7.7295   66.816   6.4059   67.974   9.2760   65.761   8.8571  154.648   11.100  152.338   10.760 2.310257 15.45905 
1 1 1    0    8   66 o  134.289   8.8381   52.041   6.4088   53.135   9.2736   51.040   8.8668  135.525   12.663  133.053   12.333 2.471420 17.67624 
1 1 1    0    8   67 o   64.109   14.477   14.806   5.6482   14.685   8.4727   14.902   7.5776   63.429   21.118   64.790   19.808 -1.361126 28.95412 
1 1 1    0    8   68 o  193.132   6.8210  106.256   7.0905  112.600   10.607  101.131   9.5337  198.013   9.9128  188.250   9.3722 9.763657 13.64192 
1 1 1    0    9    1 o  206.279   4.9558  114.528   5.1884  116.351   9.0893  113.647   6.3191  207.484   8.1070  205.075   5.7024 2.408524 9.911615 
1 1 1    0    9    4 o  129.900   4.8754   45.602   3.4222   45.760   4.8496   45.445   4.8300  130.125   6.8969  129.676   6.8929 0.4489441 9.750848 
1 1 1    0    9    5 o  1306.30   15.610  4621.77  110.184  4652.87  156.890  4591.51  154.779  1310.63   22.153  1301.98   22.000 8.647583 31.22088 
1 1 1    0    9    6 o  499.179   6.5621  673.493   17.700  668.047   24.880  679.073   25.185  497.136   9.2618  501.221   9.2987 -4.085022 13.12428 
1 1 1    0    9    8 o  1042.66   12.589  2943.11   70.928  2936.67  100.127  2949.60  100.488  1041.52   17.791  1043.81   17.816 -2.286499 25.17767 
1 1 1    0    9    9 o  454.658   6.1069  557.982   14.987  576.231   21.818  541.676   20.624  461.683   8.7453  447.633   8.5262 14.05051 12.21374 
1 1 1    0    9   12 o  329.555   7.0427  293.593   12.542   0.0000   0.0000  293.593   12.542  ?   ?   329.555   7.0427      ?      ? 
1 1 1    0    9   13 o  519.775   6.7590  730.674   18.984  727.370   26.804  734.001   26.890  518.596   9.5650  520.955   9.5523 -2.359131 13.51799 
1 1 1    0    9   14 o  765.357   9.4296  1585.56   38.991  1602.57   55.779  1569.30   54.527  769.362   13.417  761.352   13.254 8.009766 18.85927 
1 1 1    0    9   15 o  1176.45   20.032  3757.47  127.347   0.0000   0.0000  3757.47  127.347  ?   ?   1176.45   20.032      ?      ? 
1 1 1    0    9   16 o  718.405   12.689  1397.24   49.260  1397.24   49.260   0.0000   0.0000  718.405   12.689  ?   ?       ?      ? 
1 1 1    0    9   17 o  453.461   8.5305  556.598   20.902  550.450   29.451  562.838   29.671  450.937   12.086  455.986   12.042 -5.048950 17.06110 
1 1 1    0    9   18 o  220.991   5.9527  132.139   7.1005  130.766   10.259  133.401   9.8372  219.883   8.6346  222.099   8.1966 -2.215866 11.90549 
1 1 1    0    9   19 o  433.241   8.2502  507.346   19.298  488.964   26.621  527.703   28.015  424.990   11.592  441.493   11.743 -16.50281 16.50048 
1 1 1    0    9   20 o  691.595   10.498  1300.97   37.306  1311.59   46.210  1281.08   63.220  696.001   12.287  687.189   17.025 8.812378 20.99570 
1 1 1    0    9   21 o  408.194   8.0629  450.574   17.785   0.0000   0.0000  450.574   17.785  ?   ?   408.194   8.0629      ?      ? 
1 1 1    0    9   22 o  559.132   7.2084  845.568   21.774  855.641   31.213  836.021   30.389  562.369   10.271  555.895   10.116 6.473877 14.41679 
1 1 1    0    9   23 o  370.677   5.4100  371.329   10.832  376.722   15.586  366.292   15.064  373.276   7.7271  368.078   7.5739 5.198547 10.82002 
1 1 1    0    9   24 o  790.023   9.7303  1689.40   41.533  1705.48   59.344  1673.95   58.147  793.700   13.837  786.346   13.684 7.353394 19.46069 
1 1 1    0    9   25 o  645.480   10.013  1138.27   33.280  1163.02   41.467  1093.47   55.785  655.638   11.705  635.323   16.249 20.31573 20.02588 
1 1 1    0    9   26 o  1323.59   22.590  4777.84  161.563  4804.05  229.884  4752.25  227.110  1327.14   32.056  1320.05   31.839 7.090820 45.18051 
1 1 1    0    9   27 o  511.862   9.7409  708.883   26.938  714.640   38.530  703.378   37.675  513.888   13.875  509.835   13.675 4.053406 19.48176 
1 1 1    0    9   28 o  1139.38   19.508  3528.10  120.108  3518.02  169.424  3538.29  170.296  1137.75   27.558  1141.01   27.620 -3.257690 39.01665 
1 1 1    0    9   29 o  737.042   9.1722  1469.75   36.529  1471.61   51.901  1467.92   51.422  737.501   13.023  736.583   12.919 0.9185791 18.34432 
1 1 1    0    9   30 o  686.049   8.6363  1273.09   32.010  1283.90   45.795  1262.76   44.762  688.891   12.302  683.208   12.125 5.682678 17.27266 
1 1 1    0    9   31 o  494.493   6.6431  660.989   17.748  649.196   24.851  673.267   25.356  489.993   9.3857  498.994   9.4037 -9.000549 13.28616 
1 1 1    0    9   32 o  525.848   6.9784  747.768   19.828  748.024   28.169  747.518   27.915  525.935   9.9118  525.761   9.8258 0.1738892 13.95674 
1 1 1    0    9   33 o  1278.30   15.363  4433.88  106.069  4353.89  147.289  4520.07  152.876  1266.39   21.524  1290.21   21.927 -23.82483 30.72581 
1 1 1    0    9   34 o  813.737   10.064  1793.40   44.254  1791.27   62.576  1795.52   62.593  813.253   14.239  814.220   14.226 -0.9672241 20.12840 
1 1 1    0    9   35 o  782.896   9.7378  1657.64   41.156  1613.76   56.722  1706.43   59.808  771.991   13.597  793.802   13.943 -21.81097 19.47556 
1 1 1    0    9   36 o  170.723   9.1660   81.550   7.3053   84.356   8.5043   73.649   14.270  176.609   8.9112  164.837   16.020 11.77203 18.33198 
1 1 1    0    9   37 f  1561.58   18.747  6650.85  158.161  6577.88  221.170  6727.21  226.264  1552.91   26.357  1570.26   26.666 -17.35303 37.49337 
1 1 1    0    9   38 o  388.188   7.6364  410.789   14.871  399.775   26.343  415.940   18.015  384.218   12.688  392.158   8.5015 -7.940430 15.27287 
1 1 1    0    9   39 o  442.196   6.4161  528.583   15.323  513.660   21.253  544.738   22.113  435.706   9.0269  448.686   9.1203 -12.98056 12.83220 
1 1 1    0    9   40 o  341.362   5.7864  314.973   10.665  321.238   15.456  309.278   14.735  344.594   8.3003  338.131   8.0644 6.463531 11.57281 
1 1 1    0    9   41 o  400.893   6.1132  434.566   13.236  422.098   18.352  448.083   19.108  394.909   8.5999  406.876   8.6907 -11.96674 12.22647 
1 1 1    0    9   42 o  593.406   7.7766  952.671   24.904  920.293   34.184  989.296   36.356  582.706   10.856  604.107   11.137 -21.40082 15.55311 
1 1 1    0    9   43 o  368.359   5.8566  367.364   11.656  361.241   16.464  373.519   16.505  365.276   8.3412  371.442   8.2232 -6.166443 11.71315 
1 1 1    0    9   44 o  950.700   11.704  2465.98   60.124  2445.47   84.449  2487.07   85.620  946.716   16.508  954.685   16.597 -7.968201 23.40862 
1 1 1    0    9   45 o  353.474   5.8700  338.588   11.211  333.877   15.866  343.286   15.844  351.010   8.3648  355.938   8.2376 -4.927612 11.74001 
1 1 1    0    9   46 o  479.110   6.7038  622.731   17.353  611.775   24.294  634.143   24.796  474.812   9.4689  483.409   9.4923 -8.596771 13.40760 
1 1 1    0    9   47 o  147.042   7.0848   58.568   5.6184   63.743   8.2034   53.995   7.7108  153.149   9.9127  140.936   10.125 12.21310 14.16955 
1 1 1    0    9   48 o  330.219   5.6590  295.401   10.088  305.370   14.663  286.442   13.901  335.487   8.0885  324.951   7.9167 10.53525 11.31808 
1 1 1    0    9   49 o  183.305   7.1812   89.309   6.7421   98.198   11.796   84.996   8.2165  189.724   11.506  176.887   8.5961 12.83707 14.36249 
1 1 1    0    9   50 o  220.257   7.6229  132.253   9.0584  135.383   13.248  129.505   12.414  222.653   11.011  217.862   10.545 4.791290 15.24578 
1 1 1    0    9   51 o   70.664   15.003   14.287   6.1912   14.892   8.7434   13.678   8.7679   71.934   21.112   69.394   21.322 2.540298 30.00625 
1 1 1    0    9   52 o  262.376   6.5118  189.071   8.9852  193.915   11.542  181.622   14.314  266.968   8.0010  257.784   10.276 9.183594 13.02363 
1 1 1    0    9   53 o  256.491   5.5470  179.100   7.6816  181.255   11.120  177.134   10.624  257.930   7.9786  255.051   7.7083 2.878204 11.09391 
1 1 1    0    9   54 o  107.967   12.556   32.210   7.3255   32.210   7.3255   0.0000   0.0000  107.967   12.556  ?   ?       ?      ? 
1 1 1    0    9   55 o   77.071   12.402   17.705   5.0585   14.785   7.4688   20.181   6.8756   70.654   19.104   83.488   15.820 -12.83412 24.80376 
1 1 1    0    9   56 o  118.390   8.6160   39.469   5.4275   34.016   8.0018   44.116   7.3864  110.369   13.417  126.411   10.813 -16.04251 17.23197 
1 1 1    0    9   57 o   44.563   11.480  -2.9857   4.8998   12.130   7.1870 -16.1132   6.6977   63.928   19.235   25.198   12.535 38.72996 22.95932 
1 1 1    0    9   58 o   86.613   16.503   23.024   7.9346   29.257   12.022   18.214   10.562   96.606   23.300   76.619   23.377 19.98727 33.00555 
1 1 1    0    9   59 o  109.393   14.717   37.812   8.3396   24.032   12.030   50.563   11.572   86.330   24.596  132.455   16.167 -46.12567 29.43406 
1 1 1    0    9   60 o   89.744   16.366   26.519   8.0441   21.723   12.500   29.910   10.510   81.325   25.537   98.164   20.475 -16.83898 32.73177 
1 1 1    0    9   61 o   42.363   12.890   0.8216   5.2787   0.9513   8.1207   0.7267   6.9466   43.913   18.905   40.812   17.526 3.100658 25.77929 
1 1 1    0    9   62 o  133.909   8.1339   51.333   5.7868   44.574   8.5945   56.937   7.8267  125.096   12.714  142.723   10.148 -17.62671 16.26782 
1 1 1    0    9   63 o  103.830   10.417   30.782   5.7773   38.022   8.8528   25.411   7.6247  114.466   14.312   93.195   15.141 21.27125 20.83474 
1 1 1    0    9   64 o  233.000   6.2693  149.785   7.8381  171.540   11.959  133.402   10.378  247.561   8.9395  218.438   8.7922 29.12315 12.53868 
1 1 1    0    9   65 o  169.805   7.4483   81.361   6.8248   82.658   9.9467   80.207   9.3815  170.917   10.770  168.694   10.292 2.222809 14.89650 
1 1 1    0    9   66 o   75.578   14.069   19.701   5.8891   16.500   8.3951   22.803   8.2634   68.577   20.824   82.579   18.924 -14.00281 28.13804 
1 1 1    0    9   67 o   47.263   13.825   4.3576   5.7659   8.4862   8.8790   1.3469   7.5821   53.327   20.990   41.200   17.997 12.12697 27.64909 
1 1 1    0    9   68 o  108.882   10.922   37.382   6.4017   40.159   9.5720   35.134   8.6108  112.151   15.795  105.614   15.088 6.537766 21.84320 
1 1 1    0   10    1 o  973.485   13.662  2547.60   61.592  2603.60  125.734  2529.92   70.649  979.875   23.746  967.094   13.519 12.78101 27.32491 
1 1 1    0   10    2 o  1186.74   14.245  3815.24   91.347  3831.52  129.765  3799.24  128.611  1189.24   20.193  1184.23   20.098 5.005981 28.49008 
1 1 1    0   10    3 o  779.637   9.6075  1643.44   40.457  1673.98   58.293  1615.07   56.194  786.610   13.714  772.664   13.459 13.94635 19.21506 
1 1 1    0   10    6 o  508.121   6.6934  697.934   18.374  707.563   26.336  688.802   25.647  511.532   9.5276  504.710   9.4038 6.821716 13.38681 
1 1 1    0   10    8 o  192.841   4.5802  100.503   4.7722  101.574   6.8113   99.470   6.6883  193.850   6.5024  191.832   6.4522 2.018097 9.160343 
1 1 1    0   10    9 o  496.974   6.5742  667.849   17.653  672.912   25.185  662.958   24.751  498.823   9.3434  495.124   9.2510 3.698517 13.14842 
1 1 1    0   10   10 o  752.488   13.159  1532.80   53.509   0.0000   0.0000  1532.80   53.509  ?   ?   752.488   13.159      ?      ? 
1 1 1    0   10   11 o  233.216   4.5218  146.772   5.6896  151.229   8.3279  142.871   7.7914  236.529   6.5157  229.904   6.2717 6.624985 9.043690 
1 1 1    0   10   13 o  1497.80   17.947  6095.84  144.997  6316.87  212.750  5904.12  198.141  1522.88   25.853  1472.71   24.898 50.16333 35.89308 
1 1 1    0   10   14 o  607.054   10.892  998.486   35.723  1006.31   51.065  990.991   49.992  609.369   15.508  604.738   15.298 4.630371 21.78386 
1 1 1    0   10   15 o  697.064   12.287  1317.97   46.281  1322.07   65.818  1313.96   65.089  698.125   17.447  696.003   17.307 2.121826 24.57476 
1 1 1    0   10   16 o  612.062   10.960  1015.54   36.249  1015.09   51.398  1015.99   51.130  611.920   15.544  612.203   15.456 -0.2830811 21.92037 
1 1 1    0   10   17 o  317.940   6.9115  273.167   11.859  279.730   17.294  267.342   16.293  321.532   9.9536  314.348   9.5916 7.183563 13.82291 
1 1 1    0   10   18 o  914.774   11.159  2268.86   55.155  2252.72   77.507  2285.41   78.505  911.488   15.736  918.059   15.825 -6.570984 22.31718 
1 1 1    0   10   19 o  519.771   6.8245  730.740   19.166  721.916   26.905  739.833   27.310  516.586   9.6382  522.955   9.6642 -6.369568 13.64893 
1 1 1    0   10   20 o  542.392   7.0527  795.732   20.667  803.597   29.559  788.209   28.907  545.009   10.037  539.774   9.9107 5.234619 14.10543 
1 1 1    0   10   21 o  112.312   5.8158   33.973   3.5032   35.187   5.3285   33.048   4.6492  114.067   8.6448  110.556   7.7823 3.511787 11.63170 
1 1 1    0   10   22 o  298.459   4.9048  240.623   7.9060  245.905   11.414  235.751   10.961  301.604   7.0034  295.314   6.8689 6.289703 9.809661 
1 1 1    0   10   23 o  523.993   8.5876  728.952   22.345  708.408   26.586  778.378   41.237  511.805   9.6130  536.180   14.233 -24.37482 17.17512 
1 1 1    0   10   24 o  154.550   8.3534   64.580   6.9721   67.793   9.9928   61.532   9.7324  158.296   11.682  150.804   11.943 7.491669 16.70679 
1 1 1    0   10   25 o  1390.86   23.706  5279.16  178.168  5261.26  251.118  5297.30  252.827  1388.51   33.469  1393.21   33.583 -4.699829 47.41290 
1 1 1    0   10   26 o  334.457   7.8014  302.270   14.093  293.919   19.572  311.261   20.309  329.665   10.987  339.249   11.078 -9.583557 15.60274 
1 1 1    0   10   27 o  327.517   10.995  290.090   19.458  290.090   19.458   0.0000   0.0000  327.517   10.995  ?   ?       ?      ? 
1 1 1    0   10   28 o  384.104   5.6217  398.490   11.663  384.788   16.230  413.120   16.772  377.282   7.9612  390.926   7.9395 -13.64343 11.24345 
1 1 1    0   10   29 o  484.965   6.5474  635.211   17.148  615.435   23.750  656.747   24.784  477.091   9.2124  492.840   9.3063 -15.74905 13.09484 
1 1 1    0   10   30 o  676.362   8.5305  1237.58   31.177  1230.75   44.035  1244.44   44.148  674.490   12.082  678.235   12.046 -3.744690 17.06106 
1 1 1    0   10   31 o  142.436   6.1511   55.023   4.7118   52.872   6.9322   56.871   6.4237  139.834   9.1742  145.038   8.1963 -5.203049 12.30225 
1 1 1    0   10   32 o  811.828   10.049  1782.35   44.048  1736.69   60.801  1832.80   63.901  800.916   14.049  822.740   14.373 -21.82379 20.09875 
1 1 1    0   10   33 o  998.010   12.145  2699.22   65.475  2654.11   91.110  2747.40   94.155  989.419   17.041  1006.60   17.310 -17.18225 24.29079 
1 1 1    0   10   34 o  681.822   8.6631  1258.23   31.916  1262.62   45.434  1253.96   44.842  682.990   12.311  680.655   12.192 2.334595 17.32620 
1 1 1    0   10   35 o  777.920   11.981  1639.14   47.321  1635.81   57.746  1645.95   82.565  777.191   13.750  778.650   19.623 -1.459290 23.96110 
1 1 1    0   10   36 o  613.593   8.0121  1016.51   26.521  977.623   36.250  1061.29   38.903  601.014   11.162  626.172   11.497 -25.15820 16.02427 
1 1 1    0   10   37 o  552.638   9.1815  830.160   25.744  818.243   44.778  836.043   31.463  549.435   15.082  555.840   10.475 -6.404053 18.36307 
1 1 1    0   10   38 o  736.242   9.2900  1468.44   36.951  1445.59   51.587  1492.51   52.953  730.375   13.071  742.109   13.205 -11.73389 18.58004 
1 1 1    0   10   39 o  737.373   9.2917  1473.64   37.023  1468.46   52.288  1478.84   52.429  736.073   13.146  738.672   13.135 -2.599182 18.58341 
1 1 1    0   10   40 o  328.115   5.7879  291.338   10.261  289.407   14.583  293.231   14.440  327.034   8.2524  329.196   8.1176 -2.161743 11.57570 
1 1 1    0   10   41 o  712.265   9.0371  1376.58   34.782  1368.02   49.070  1385.23   49.309  710.037   12.789  714.493   12.771 -4.456482 18.07420 
1 1 1    0   10   42 o  235.147   5.8957  149.688   7.4912  151.292   10.629  148.106   10.559  236.399   8.3209  233.895   8.3546 2.503937 11.79138 
1 1 1    0   10   43 o  146.721   7.3618   58.617   5.8062   52.057   8.2486   65.059   8.1742  138.519   11.020  154.922   9.7644 -16.40337 14.72362 
1 1 1    0   10   44 o  302.706   5.6693  248.044   9.2690  237.807   12.929  258.868   13.295  296.279   8.0758  309.133   7.9589 -12.85358 11.33855 
1 1 1    0   10   45 f  305.595   5.6444  253.131   9.3179  246.482   13.196  259.744   13.160  301.578   8.0973  309.612   7.8657 -8.033173 11.28874 
1 1 1    0   10   46 o  231.057   5.7673  144.959   7.1909  137.222   10.222  152.539   10.118  224.918   8.4103  237.195   7.8940 -12.27690 11.53463 
1 1 1    0   10   47 o  160.468   6.8895   70.373   5.9380   65.459   8.6887   74.681   8.1339  155.118   10.366  165.817   9.0779 -10.69911 13.77892 
1 1 1    0   10   48 o   66.945   14.350   11.697   5.5526   16.628   9.1403   8.8123   6.9904   76.154   21.351   57.736   19.180 18.41799 28.70079 
1 1 1    0   10   49 o  354.958   7.9219  344.076   15.191  337.387   21.557  350.676   21.412  351.481   11.350  358.435   11.055 -6.953186 15.84388 
1 1 1    0   10   50 o  348.321   7.8446  331.660   14.763  330.405   21.017  332.883   20.743  347.636   11.188  349.006   10.999 -1.369720 15.68923 
1 1 1    0   10   51 o  132.678   7.9764   48.009   5.6981   50.251   8.4944   46.174   7.6833  135.433   11.607  129.922   10.944 5.510742 15.95285 
1 1 1    0   10   52 o  260.822   6.5953  185.701   9.0304  185.424   11.483  186.149   14.619  260.898   8.1454  260.745   10.375 0.1537170 13.19069 
1 1 1    0   10   53 o   40.736   12.162   0.3954   4.7133  -2.7961   6.9844   3.0643   6.3869   37.216   16.706   44.256   17.680 -7.040268 24.32440 
1 1 1    0   10   54 o  209.209   5.9492  119.693   6.7127  111.263   9.4950  128.116   9.4913  201.755   8.7093  216.663   8.1069 -14.90819 11.89849 
1 1 1    0   10   55 f  123.470   8.0748   41.689   5.3424   50.077   7.9942   34.919   7.1815  134.675   10.985  112.265   11.838 22.41005 16.14966 
1 1 1    0   10   56 o  198.531   6.1552  107.592   6.5876  115.683   9.7296  100.744   8.9515  205.370   8.7674  191.693   8.6418 13.67743 12.31044 
1 1 1    0   10   57 o  272.933   5.7236  204.149   8.4307  205.214   12.247  203.190   11.623  273.515   8.2863  272.351   7.8978 1.164368 11.44718 
1 1 1    0   10   58 o  107.187   15.455   36.230   8.7373   25.946   12.800   45.203   11.956   89.676   25.310  124.698   17.743 -35.02195 30.90988 
1 1 1    0   10   59 o   78.413   15.087   18.679   8.2834  -1.2428   12.425   34.617   11.113   50.547   22.515  106.280   20.087 -55.73263 30.17307 
1 1 1    0   10   60 o  174.840   8.9479   88.598   7.5659   81.464   13.939   91.578   9.0084  167.837   15.369  181.843   9.1678 -14.00632 17.89584 
1 1 1    0   10   61 o   82.694   12.585   20.789   5.4307   21.755   8.1630   20.022   7.2739   84.115   18.465   81.273   17.104 2.841110 25.16986 
1 1 1    0   10   62 o  137.534   8.2196   53.182   6.0818   57.275   9.1390   49.928   8.1479  142.102   11.902  132.966   11.340 9.135284 16.43924 
1 1 1    0   10   63 o   69.219   14.210   15.544   5.6162   17.074   8.3213   14.264   7.6112   72.093   20.428   66.345   19.757 5.747643 28.41899 
1 1 1    0   10   64 o   52.951   12.760   1.7232   5.7804   18.949   8.7908 -11.3978   7.6724   75.628   20.842   30.274   14.725 45.35335 25.51935 
1 1 1    0   10   65 o   79.499   13.067   20.663   6.1457   8.7853   8.8193   31.875   8.5687   55.517   21.170  103.482   15.324 -47.96491 26.13361 
1 1 1    0   10   66 o   69.422   14.409   17.733   6.0196   12.551   8.9133   22.079   8.1623   59.030   21.520   79.815   19.167 -20.78491 28.81750 
1 1 1    0   10   67 o   56.207   14.848   10.186   6.0285   13.367   9.2940   7.8747   7.9208   61.211   22.024   51.202   19.920 10.00894 29.69640 
1 1 1    0   11    1 o  245.752   4.7134  163.213   6.2592   0.0000   0.0000  163.213   6.2592  ?   ?   245.752   4.7134      ?      ? 
1 1 1    0   11    2 f  414.099   7.0160  464.626   14.816  461.261   25.562  466.328   18.180  412.895   11.457  415.302   8.1013 -2.407013 14.03194 
1 1 1    0   11    3 o  489.977   6.5594  649.209   17.367  644.494   24.434  654.022   24.688  488.180   9.2625  491.774   9.2904 -3.593750 13.11890 
1 1 1    0   11    4 o  484.714   6.5030  635.366   17.033  636.353   24.167  634.392   24.009  485.087   9.2196  484.341   9.1736 0.7460938 13.00599 
1 1 1    0   11    5 o  359.222   5.3999  348.559   10.475  357.305   15.143  340.534   14.506  363.537   7.7087  354.907   7.5637 8.630127 10.79972 
1 1 1    0   11    8 o  109.737   8.7807   32.565   5.2068   0.0000   0.0000   32.565   5.2068  ?   ?   109.737   8.7807      ?      ? 
1 1 1    0   11    9 o  514.257   6.7963  715.213   18.885  707.716   26.502  722.947   26.917  511.521   9.5879  516.993   9.6349 -5.472351 13.59264 
1 1 1    0   11   10 o  122.914   7.6811   42.472   4.4395   37.613   8.5321   44.276   5.1987  117.859   13.397  127.969   7.5180 -10.11028 15.36224 
1 1 1    0   11   11 o  650.990   11.640  1148.16   40.921  1169.37   59.089  1128.60   56.726  656.740   16.651  645.241   16.269 11.49835 23.27942 
1 1 1    0   11   12 o  160.433   7.2528   67.473   6.1865   86.194   9.7467   54.842   8.0060  178.493   10.105  142.372   10.406 36.12123 14.50552 
1 1 1    0   11   13 o  516.419   9.6311  722.154   26.872  709.459   37.632  735.360   38.385  511.791   13.608  521.047   13.633 -9.256073 19.26213 
1 1 1    0   11   14 o  363.449   7.6333  356.196   14.943  372.973   22.220  342.342   20.191  371.218   11.077  355.680   10.505 15.53848 15.26661 
1 1 1    0   11   15 o  837.662   10.285  1901.72   46.556  1905.37   66.028  1898.12   65.654  838.455   14.573  836.869   14.518 1.585815 20.57091 
1 1 1    0   11   16 o  271.486   4.8050  198.369   7.0287  210.917   10.436  187.952   9.5088  279.305   6.9145  263.667   6.6740 15.63760 9.610018 
1 1 1    0   11   17 o  179.345   4.8817   86.849   4.7256   89.161   6.8806   84.785   6.5015  181.599   7.0117  177.090   6.7940 4.509140 9.763362 
1 1 1    0   11   18 o  554.724   7.2054  832.460   21.597  824.388   30.367  840.724   30.723  552.003   10.180  557.444   10.199 -5.441162 14.41071 
1 1 1    0   11   19 o  704.388   8.8241  1343.18   33.586  1344.86   47.682  1341.52   47.315  704.823   12.520  703.954   12.438 0.8688965 17.64812 
1 1 1    0   11   20 o  266.477   4.8815  191.950   7.0283  192.612   10.026  191.311   9.8554  266.927   6.9508  266.026   6.8558 0.9011536 9.763001 
1 1 1    0   11   21 o  659.308   16.779  1177.93   59.778   0.0000   0.0000  1177.93   59.778  ?   ?   659.308   16.779      ?      ? 
1 1 1    0   11   22 o  738.734   13.093  1478.00   52.221  1442.57   72.091  1517.12   75.748  729.461   18.289  748.008   18.740 -18.54791 26.18567 
1 1 1    0   11   23 o  761.926   13.461  1573.06   55.399  1601.80   79.687  1546.17   77.070  768.638   19.186  755.214   18.885 13.42480 26.92128 
1 1 1    0   11   24 o  193.924   7.8574  101.046   8.2065   91.959   11.110  111.959   12.175  184.391   11.150  203.458   11.074 -19.06708 15.71482 
1 1 1    0   11   25 o  468.219   7.9237  593.728   18.773  590.541   32.905  595.266   22.857  467.205   13.034  469.233   9.0147 -2.028015 15.84750 
1 1 1    0   11   26 o  366.034   5.5463  362.206   10.969  359.616   15.603  364.736   15.423  364.739   7.9168  367.330   7.7699 -2.590607 11.09263 
1 1 1    0   11   27 f  465.855   6.3942  586.652   16.093  591.989   23.037  581.566   22.490  467.922   9.1111  463.789   8.9739 4.132385 12.78838 
1 1 1    0   11   28 o  135.021   6.1143   48.398   4.4182   56.196   6.8469   42.834   5.7833  144.171   8.7888  125.871   8.5028 18.29953 12.22869 
1 1 1    0   11   30 o  711.736   8.9573  1368.92   34.420  1328.72   47.493  1413.39   49.955  700.756   12.542  722.716   12.792 -21.95990 17.91453 
1 1 1    0   11   31 o  1015.44   12.348  2792.49   67.711  2731.23   93.728  2859.35   97.925  1003.84   17.279  1027.04   17.645 -23.20520 24.69624 
1 1 1    0   11   32 o  335.471   5.6445  304.323   10.231  302.179   14.540  306.426   14.399  334.298   8.0491  336.643   7.9153 -2.345276 11.28891 
1 1 1    0   11   33 o  1390.15   16.712  5255.91  125.539  5234.51  176.877  5277.63  178.207  1387.31   23.594  1392.98   23.675 -5.670776 33.42467 
1 1 1    0   11   34 o  300.738   7.2720  240.160   10.893  233.341   12.991  256.306   19.992  293.755   8.1842  307.722   12.023 -13.96707 14.54393 
1 1 1    0   11   35 o  191.480   8.5117  101.522   8.1305  105.459   9.8764   93.243   14.321  197.450   9.2567  185.511   14.287 11.93852 17.02334 
1 1 1    0   11   36 o  329.580   7.4242  294.782   12.262  291.667   21.856  296.214   14.814  328.209   12.323  330.951   8.2834 -2.742065 14.84839 
1 1 1    0   11   37 o  252.839   5.9397  172.817   8.0938  174.499   11.911  171.374   11.032  253.971   8.6795  251.707   8.1108 2.263397 11.87932 
1 1 1    0   11   38 o  889.228   10.976  2144.67   52.721  2107.31   73.386  2184.52   75.789  881.256   15.411  897.199   15.633 -15.94287 21.95154 
1 1 1    0   11   39 o  399.152   8.8361  431.201   19.058  431.201   19.058   0.0000   0.0000  399.152   8.8361  ?   ?       ?      ? 
1 1 1    0   11   40 o   97.685   11.821   28.107   5.7691   13.946   8.1721   42.177   8.1456   70.667   20.317  124.703   12.088 -54.03632 23.64124 
1 1 1    0   11   41 o  431.084   8.9467  503.233   20.841   0.0000   0.0000  503.233   20.841  ?   ?   431.084   8.9467      ?      ? 
1 1 1    0   11   42 o  275.596   5.7461  205.701   8.5532  204.338   12.266  206.991   11.933  274.697   8.2635  276.495   7.9867 -1.797791 11.49229 
1 1 1    0   11   43 o  309.496   5.6990  259.446   9.5294  261.006   13.623  257.951   13.334  310.400   8.1222  308.591   7.9965 1.809479 11.39802 
1 1 1    0   11   44 o  268.062   5.7693  194.073   8.3311  202.797   12.373  186.838   11.268  273.533   8.3710  262.591   7.9413 10.94199 11.53853 
1 1 1    0   11   45 o  277.904   5.7022  209.580   8.5476  205.907   12.403  212.902   11.796  275.551   8.3301  280.258   7.7890 -4.706390 11.40439 
1 1 1    0   11   46 o  314.059   5.7253  267.670   9.7072  266.010   14.010  269.203   13.462  313.092   8.2809  315.026   7.9084 -1.933319 11.45057 
1 1 1    0   11   47 o  175.023   8.4359   82.671   7.9014   89.685   12.223   77.635   10.357  181.256   12.479  168.790   11.355 12.46637 16.87181 
1 1 1    0   11   48 o  321.504   7.7260  282.207   13.407  274.324   19.245  289.640   18.689  317.051   11.233  325.956   10.610 -8.905243 15.45199 
1 1 1    0   11   49 o  367.659   7.0827  363.728   13.480  352.086   16.689  385.586   22.867  359.758   8.5846  375.560   11.268 -15.80182 14.16535 
1 1 1    0   11   50 o   40.330   12.338  -0.8257   4.9617   1.0377   7.2348  -2.4805   6.8177   43.362   18.221   37.299   16.641 6.063354 24.67648 
1 1 1    0   11   51 o  133.516   9.5130   50.507   6.3162   45.608   11.099   52.853   7.6813  128.015   16.045  139.018   10.225 -11.00264 19.02592 
1 1 1    0   11   52 o  192.173   7.0599   99.733   7.2288   93.291   9.3510  109.302   11.396  184.721   9.3682  199.625   10.564 -14.90456 14.11979 
1 1 1    0   11   53 o  182.863   7.2837   92.452   7.1174   97.350   9.5486   86.329   10.677  188.598   9.3695  177.129   11.155 11.46907 14.56749 
1 1 1    0   11   54 o  255.643   5.7788  178.669   7.9668  177.755   11.624  179.479   10.941  254.930   8.4380  256.357   7.8979 -1.426193 11.55755 
1 1 1    0   11   55 o  120.526   8.5488   40.371   5.5154   40.059   8.3686   40.611   7.3333  119.884   12.918  121.169   11.200 -1.284988 17.09752 
1 1 1    0   11   56 o  103.952   9.6219   30.081   5.3757   34.679   8.0306   26.349   7.2361  111.150   13.371   96.755   13.840 14.39459 19.24382 
1 1 1    0   11   57 o  141.528   10.503   58.838   7.4885   63.384   9.3170   50.541   12.586  150.920   11.425  132.135   17.627 18.78455 21.00583 
1 1 1    0   11   58 o   57.475   16.747   5.8801   8.3990   6.0541   12.016   5.7140   11.744   57.885   23.831   57.066   23.535 0.8187027 33.49316 
1 1 1    0   11   59 o  235.997   9.1768  158.386   11.650  148.108   16.886  167.725   16.095  228.033   13.703  243.962   12.209 -15.92876 18.35350 
1 1 1    0   11   60 o   59.360   13.585   10.353   5.4230   3.8226   8.2470   15.327   7.1980   48.234   19.787   70.485   18.620 -22.25068 27.17035 
1 1 1    0   11   61 o  122.306   9.2685   43.925   5.9222   36.440   9.0629   49.503   7.8236  111.923   14.985  132.689   10.912 -20.76570 18.53692 
1 1 1    0   11   62 o  115.537   9.7657   38.421   6.0613   40.251   9.1528   36.992   8.0894  117.647   14.397  113.427   13.198 4.220337 19.53142 
1 1 1    0   11   63 o  189.903   6.8815  101.185   7.0467  107.695   10.385   95.629   9.5931  195.463   9.8322  184.343   9.6304 11.11934 13.76290 
1 1 1    0   11   64 o  176.346   11.078   88.215   10.557   88.215   10.557   0.0000   0.0000  176.346   11.078  ?   ?       ?      ? 
1 1 1    0   11   65 o   94.699   12.827   30.318   6.2908   20.839   9.1975   38.650   8.6234   76.328   21.424  113.069   14.114 -36.74068 25.65487 
1 1 1    0   11   66 o   79.999   13.584   22.638   6.3387   12.278   9.4975   30.960   8.5119   59.869   22.150  100.129   15.732 -40.26014 27.16828 
1 1 1    0   11   67 o  129.814   9.5328   51.804   6.6240   49.211   9.8595   53.938   8.9430  125.613   14.526  134.014   12.349 -8.401848 19.06558 
1 1 1    0   12    1 o  145.141   7.0744   56.951   5.5484   0.0000   0.0000   56.951   5.5484  ?   ?   145.141   7.0744      ?      ? 
1 1 1    0   12    2 o  650.896   10.002  1152.10   33.377  1132.43   56.803  1162.46   41.248  646.388   16.263  655.405   11.647 -9.017273 20.00313 
1 1 1    0   12    4 o  247.769   4.9210  165.306   6.5690  174.178   9.7544  157.943   8.8862  253.825   7.1118  241.713   6.8035 12.11220 9.841969 
1 1 1    0   12    5 o  819.825   12.387  1834.88   52.241  1782.66   88.004  1863.29   64.916  810.271   20.099  829.378   14.485 -19.10748 24.77488 
1 1 1    0   12    6 o  480.138   9.3310  624.220   24.209  622.973   34.348  625.450   34.126  479.658   13.252  480.619   13.140 -0.9616394 18.66207 
1 1 1    0   12    7 o  216.430   7.4713  126.641   8.7284  128.716   12.683  124.775   12.030  218.107   10.762  214.753   10.367 3.353973 14.94265 
1 1 1    0   12    8 o  954.869   16.514  2480.60   85.204  2461.71  119.691  2500.00  121.320  951.205   23.286  958.534   23.423 -7.329590 33.02837 
1 1 1    0   12    9 o  219.085   7.2551  129.969   8.5787  127.432   12.368  132.320   11.909  217.015   10.547  221.155   9.9654 -4.139908 14.51029 
1 1 1    0   12   10 o  467.777   9.0668  592.496   22.917  584.910   32.260  600.225   32.562  464.753   12.845  470.802   12.799 -6.049072 18.13355 
1 1 1    0   12   11 o  248.404   9.5948  166.937   12.879   0.0000   0.0000  166.937   12.879  ?   ?   248.404   9.5948      ?      ? 
1 1 1    0   12   13 f  177.012   4.9941   83.610   4.7455   96.255   7.2044   73.919   6.3072  188.679   7.0662  165.345   7.0592 23.33417 9.988146 
1 1 1    0   12   15 o  439.607   8.6065  522.652   20.445   0.0000   0.0000  522.652   20.445  ?   ?   439.607   8.6065      ?      ? 
1 1 1    0   12   17 o  827.461   12.551  1845.71   52.457  1825.25   63.566  1889.41   92.880  820.876   14.331  834.046   20.608 -13.17004 25.10128 
1 1 1    0   12   18 o  182.192   7.5676   89.938   7.4388   85.923   10.651   93.761   10.394  178.208   11.060  186.175   10.332 -7.966919 15.13519 
1 1 1    0   12   19 o  827.199   14.483  1856.46   64.727  1834.69   90.484  1879.28   92.628  822.253   20.365  832.144   20.600 -9.891052 28.96657 
1 1 1    0   12   20 o  299.028   7.4835  241.877   12.091  237.162   17.072  246.622   17.126  296.102   10.670  301.955   10.496 -5.853088 14.96709 
1 1 1    0   12   21 o  630.179   11.464  1075.67   39.038  1073.87   55.115  1077.48   55.301  629.653   16.199  630.705   16.226 -1.052917 22.92805 
1 1 1    0   12   22 o  468.488   7.8981  596.996   18.892  583.333   32.382  604.047   23.261  464.315   12.906  472.660   9.1074 -8.344421 15.79620 
1 1 1    0   12   23 o  788.695   9.7699  1683.10   41.635  1692.30   59.288  1674.16   58.482  790.815   13.874  786.575   13.759 4.239563 19.53988 
1 1 1    0   12   24 o  538.112   7.1108  782.532   20.670  766.491   28.779  799.623   29.706  532.422   10.003  543.803   10.109 -11.38092 14.22159 
1 1 1    0   12   25 o  700.282   8.8200  1326.02   33.366  1300.80   46.490  1352.81   47.914  693.423   12.407  707.141   12.539 -13.71863 17.64001 
1 1 1    0   12   26 o  554.128   10.289  830.384   30.808   0.0000   0.0000  830.384   30.808  ?   ?   554.128   10.289      ?      ? 
1 1 1    0   12   27 o  181.305   5.6133   89.251   5.4736   83.491   7.9668   94.401   7.5332  175.734   8.3896  186.876   7.4600 -11.14182 11.22657 
1 1 1    0   12   28 o  998.777   12.149  2702.34   65.569  2692.34   92.517  2712.43   92.941  996.922   17.174  1000.63   17.189 -3.709595 24.29813 
1 1 1    0   12   29 o  708.652   8.9377  1358.95   34.225  1358.08   48.520  1359.80   48.284  708.425   12.675  708.879   12.605 -0.4542236 17.87548 
1 1 1    0   12   30 o  218.304   5.6210  129.245   6.6092  122.222   9.5683  135.653   9.1401  212.608   8.3285  224.001   7.5511 -11.39261 11.24206 
1 1 1    0   12   31 o  746.310   9.3652  1508.02   37.766  1513.41   53.719  1502.74   53.106  747.623   13.297  744.997   13.192 2.626343 18.73050 
1 1 1    0   12   32 f  660.466   8.4768  1180.05   30.245  1158.46   42.169  1202.94   43.404  654.251   11.928  666.682   12.048 -12.43066 16.95369 
1 1 1    0   12   33 o  274.430   7.6016  206.516   10.310  210.717   12.371  196.959   18.657  279.147   8.2013  269.713   12.801 9.433929 15.20316 
1 1 1    0   12   34 o  293.579   7.4560  228.991   10.870  222.775   12.936  243.919   20.048  287.010   8.3412  300.149   12.361 -13.13950 14.91192 
1 1 1    0   12   35 o  800.880   12.360  1731.92   49.861  1764.41   88.645  1716.88   60.306  805.727   20.360  796.033   14.020 9.693909 24.72012 
1 1 1    0   12   36 o  506.218   8.7251  695.672   22.321  690.090   39.183  698.354   27.159  504.470   14.374  507.966   9.8945 -3.496490 17.45015 
1 1 1    0   12   37 o  808.654   10.098  1772.19   44.106  1736.71   61.270  1810.34   63.543  800.284   14.168  817.023   14.393 -16.73938 20.19622 
1 1 1    0   12   38 o  466.918   6.6849  590.163   16.865  581.225   23.758  599.243   23.946  463.351   9.4889  470.485   9.4187 -7.134125 13.36981 
1 1 1    0   12   39 o  219.585   6.2288  130.748   7.3785  125.491   10.600  135.690   10.277  215.280   9.1121  223.890   8.4946 -8.609421 12.45750 
1 1 1    0   12   40 o  395.690   6.1876  424.006   13.227  420.638   18.857  427.269   18.559  394.133   8.8540  397.248   8.6459 -3.115326 12.37520 
1 1 1    0   12   41 o  302.421   5.7791  246.972   9.4149  255.850   13.968  239.580   12.745  307.368   8.4098  297.473   7.9289 9.895203 11.55820 
1 1 1    0   12   42 o  106.172   10.035   30.678   5.7501   31.131   8.3687   30.272   7.9140  106.897   14.488  105.448   13.889 1.449104 20.06994 
1 1 1    0   12   43 o  235.133   5.8867  149.894   7.4697  148.819   10.824  150.871   10.322  234.308   8.5486  235.958   8.0952 -1.649475 11.77330 
1 1 1    0   12   44 f  292.686   5.7213  231.954   9.0343  237.204   13.212  227.343   12.381  295.771   8.2664  289.601   7.9119 6.169708 11.44254 
1 1 1    0   12   45 o  232.137   6.9075  140.940   8.1672  162.928   14.596  130.918   9.8542  244.627   11.042  219.648   8.3024 24.97859 13.81502 
1 1 1    0   12   46 o  147.710   9.2273   59.939   7.2804   57.185   11.020   62.072   9.6978  144.544   14.109  150.876   11.895 -6.330994 18.45458 
1 1 1    0   12   47 o  110.393   11.949   32.607   7.0137   40.293   11.175   27.613   9.0089  120.759   17.126  100.026   16.667 20.73285 23.89761 
1 1 1    0   12   48 o  438.418   6.5091  523.346   15.420  518.614   21.801  528.084   21.814  436.420   9.2444  440.415   9.1660 -3.995270 13.01821 
1 1 1    0   12   49 o  128.067   8.0435   44.673   5.5534   48.471   8.1836   41.432   7.5606  133.088   11.379  123.047   11.371 10.04089 16.08692 
1 1 1    0   12   50 o  140.540   7.5980   54.708   5.6985   47.372   8.3293   61.164   7.8132  131.403   11.730  149.678   9.6601 -18.27533 15.19610 
1 1 1    0   12   51 o  153.690   7.5347   63.957   6.2156   72.517   9.4739   57.488   8.2360  162.576   10.784  144.804   10.526 17.77177 15.06935 
1 1 1    0   12   52 o  272.656   6.9953  205.601   9.7076  197.860   16.651  209.587   11.948  268.066   11.495  277.246   7.9754 -9.180145 13.99064 
1 1 1    0   12   53 o  302.035   6.7366  251.593   10.765  257.631   13.979  242.793   16.876  306.999   8.4266  297.070   10.513 9.929016 13.47316 
1 1 1    0   12   54 o  214.897   6.9658  128.288   7.9909  137.787   10.772  116.667   11.916  224.183   8.8924  205.611   10.725 18.57256 13.93168 
1 1 1    0   12   55 o  249.051   5.9375  170.673   7.9560  161.716   11.607  178.611   10.927  242.664   8.8516  255.439   7.9162 -12.77505 11.87506 
1 1 1    0   12   56 o   75.584   13.254   19.641   6.8208   29.750   8.1468  -4.0563   12.473  102.471   14.713   48.698   22.050 53.77345 26.50775 
1 1 1    0   12   57 o  305.988   8.9430  262.860   14.774  269.595   21.427  256.757   20.399  309.568   12.809  302.408   12.483 7.159668 17.88601 
1 1 1    0   12   58 o  122.930   14.168   45.862   9.1718   49.955   12.996   41.802   12.946  129.919   18.512  115.941   21.453 13.97792 28.33620 
1 1 1    0   12   59 o   62.816   15.782   6.8112   6.4249   22.838   12.733   1.3373   7.4417   82.759   25.740   42.874   18.268 39.88486 31.56364 
1 1 1    0   12   60 o  101.433   11.708   32.036   5.9351   22.522   8.9139   39.612   7.9548   84.691   19.828  118.176   12.457 -33.48540 23.41611 
1 1 1    0   12   61 o  161.019   7.5877   72.813   6.5248   73.429   10.027   72.361   8.5931  161.133   11.516  160.906   9.8830 0.2266846 15.17538 
1 1 1    0   12   62 f  205.641   6.6515  118.173   7.3725  126.424   10.911  111.241   10.001  212.124   9.5192  199.158   9.2927 12.96581 13.30297 
1 1 1    0   12   63 o  136.887   13.213   54.300   9.7733   54.300   9.7733   0.0000   0.0000  136.887   13.213  ?   ?       ?      ? 
1 1 1    0   12   64 o   88.911   13.927   25.783   6.4946   26.643   9.6392   25.068   8.7891   89.789   20.338   88.033   19.031 1.756561 27.85359 
1 1 1    0   12   65 o   73.250   14.469   19.640   6.3807   11.981   9.3057   26.436   8.7659   58.343   21.858   88.157   18.964 -29.81404 28.93799 
1 1 1    0   12   66 o   81.106   14.345   23.012   6.2441   25.792   9.4148   20.829   8.3430   85.237   20.657   76.975   19.909 8.262062 28.68906 
1 1 1    0   13    4 o  432.967   12.924  507.658   30.237  507.658   30.237   0.0000   0.0000  432.967   12.924  ?   ?       ?      ? 
1 1 1    0   13    5 o  411.428   12.371  458.333   27.504  458.333   27.504   0.0000   0.0000  411.428   12.371  ?   ?       ?      ? 
1 1 1    0   13    7 o  208.826   9.3399  117.973   10.539   0.0000   0.0000  117.973   10.539  ?   ?   208.826   9.3399      ?      ? 
1 1 1    0   13    8 o  404.234   7.1285  445.773   14.920  455.217   18.710  429.279   24.726  410.253   8.4397  398.215   11.491 12.03806 14.25698 
1 1 1    0   13    9 o  318.369   6.3255  277.670   10.519  288.814   13.419  259.910   16.940  326.812   7.5985  309.927   10.115 16.88474 12.65101 
1 1 1    0   13   10 o  416.945   7.2638  475.265   15.756  489.337   19.928  451.802   25.733  425.351   8.6704  408.539   11.657 16.81180 14.52765 
1 1 1    0   13   11 o  268.052   6.9557  194.358   10.074  199.144   14.332  189.685   14.161  271.315   9.7759  264.789   9.8974 6.526489 13.91135 
1 1 1    0   13   12 o  723.296   12.812  1418.11   50.035  1384.69   69.100  1454.95   72.545  714.382   17.900  732.209   18.335 -17.82672 25.62414 
1 1 1    0   13   13 o  247.446   6.9381  165.538   9.2731  172.477   13.283  158.941   12.952  252.504   9.7351  242.389   9.8883 10.11545 13.87627 
1 1 1    0   13   14 o  968.405   16.754  2551.56   87.669  2533.78  123.165  2569.82  124.816  965.007   23.619  971.802   23.769 -6.794922 33.50853 
1 1 1    0   13   15 o  758.919   13.409  1562.45   54.985  1546.85   77.089  1578.60   78.450  755.075   18.894  762.763   19.033 -7.688049 26.81857 
1 1 1    0   13   16 o  716.231   12.734  1390.84   49.282  1395.27   69.979  1386.49   69.416  717.355   18.053  715.106   17.964 2.249146 25.46781 
1 1 1    0   13   17 f  624.561   11.359  1055.97   38.315  1034.01   53.152  1079.73   55.282  617.820   15.921  631.302   16.205 -13.48145 22.71755 
1 1 1    0   13   18 o  690.531   10.612  1307.76   38.097  1228.38   62.106  1355.65   48.239  673.285   17.071  707.777   12.613 -34.49249 21.22473 
1 1 1    0   13   19 o  314.223   6.5152  268.304   10.324  263.288   18.151  270.703   12.551  311.995   10.766  316.451   7.3401 -4.455383 13.03037 
1 1 1    0   13   20 o  473.611   6.5081  606.181   16.652  591.410   23.243  621.755   23.867  467.687   9.1971  479.535   9.2107 -11.84787 13.01629 
1 1 1    0   13   21 o  651.571   8.2995  1148.23   29.220  1138.43   41.091  1158.26   41.560  648.760   11.721  654.383   11.753 -5.622742 16.59897 
1 1 1    0   13   22 o  198.262   5.4156  106.390   5.7741  104.781   8.5619  107.732   7.8201  196.881   8.0478  199.643   7.2489 -2.762115 10.83115 
1 1 1    0   13   23 o  465.036   6.4636  584.431   16.239  569.653   22.696  599.930   23.243  459.016   9.1504  471.057   9.1313 -12.04123 12.92711 
1 1 1    0   13   25 o  1059.25   12.840  3040.22   73.493  3032.41  103.779  3048.07  104.091  1057.88   18.155  1060.61   18.162 -2.726685 25.67992 
1 1 1    0   13   26 o  457.830   6.4306  566.742   15.909  560.734   22.467  572.782   22.529  455.396   9.1301  460.264   9.0582 -4.869049 12.86119 
1 1 1    0   13   27 o  425.301   6.1914  488.717   14.215  496.371   20.634  481.803   19.611  428.463   8.9120  422.139   8.5971 6.323608 12.38275 
1 1 1    0   13   29 o  855.914   10.575  1983.10   48.887  1941.77   67.847  2027.74   70.502  846.662   14.830  865.165   15.081 -18.50226 21.15048 
1 1 1    0   13   30 o  834.405   10.375  1885.72   46.776  1863.62   65.619  1908.55   66.695  829.441   14.641  839.369   14.705 -9.927979 20.75024 
1 1 1    0   13   31 o  135.145   8.0545   49.714   5.8408   46.394   8.6065   52.549   7.9524  130.923   12.165  139.367   10.560 -8.444656 16.10902 
1 1 1    0   13   32 o  518.951   10.105  728.622   28.336   0.0000   0.0000  728.622   28.336  ?   ?   518.951   10.105      ?      ? 
1 1 1    0   13   33 o  1035.68   15.633  2896.49   81.509  2860.34   98.458  2975.23  145.306  1026.71   17.747  1044.65   25.741 -17.94519 31.26570 
1 1 1    0   13   34 o  553.485   9.3280  820.146   25.742  854.955   46.897  805.136   30.796  561.524   15.456  545.446   10.449 16.07867 18.65602 
1 1 1    0   13   35 o  234.515   7.8157  142.708   9.0575  164.257   17.130  134.347   10.671  246.199   12.876  222.832   8.8622 23.36646 15.63138 
1 1 1    0   13   36 f  496.780   6.9688  667.758   18.704  654.914   26.165  681.182   26.748  491.898   9.8436  501.663   9.8672 -9.765656 13.93764 
1 1 1    0   13   37 o  324.267   5.9205  284.718   10.368  275.993   14.747  293.245   14.579  319.342   8.5460  329.193   8.1960 -9.851288 11.84095 
1 1 1    0   13   38 o  331.217   5.9191  296.552   10.583  305.618   15.387  288.411   14.580  336.007   8.4744  326.426   8.2660 9.580994 11.83817 
1 1 1    0   13   39 o  305.553   5.8922  252.911   9.7221  243.625   13.805  262.047   13.693  299.972   8.5169  311.134   8.1447 -11.16238 11.78447 
1 1 1    0   13   40 o  100.573   10.751   27.422   5.8183   28.769   8.7115   26.336   7.8175  102.769   15.687   98.376   14.706 4.393318 21.50225 
1 1 1    0   13   41 o  462.841   6.6627  580.787   16.657  582.878   23.905  578.815   23.223  463.630   9.5419  462.053   9.3014 1.577179 13.32532 
1 1 1    0   13   42 o  483.095   6.8558  632.905   17.886  641.874   25.830  624.645   24.790  486.353   9.8285  479.837   9.5608 6.515747 13.71158 
1 1 1    0   13   43 o  413.489   6.3277  462.542   14.099  480.959   20.880  447.107   19.114  420.988   9.1785  405.991   8.7127 14.99780 12.65530 
1 1 1    0   13   44 o  137.169   10.123   52.018   7.3192   48.919   11.511   54.122   9.4829  133.493   15.958  140.846   12.460 -7.353638 20.24619 
1 1 1    0   13   45 o  369.360   8.1832  368.549   16.185  395.270   24.936  349.099   21.275  380.672   12.122  358.049   10.996 22.62241 16.36641 
1 1 1    0   13   46 o  467.866   8.0879  592.655   19.475  582.251   24.020  612.612   33.268  462.599   9.6092  473.132   13.012 -10.53305 16.17589 
1 1 1    0   13   47 o  193.805   6.3026  102.525   6.5683   98.549   9.6673  105.934   8.9520  190.226   9.4047  197.384   8.3930 -7.158005 12.60524 
1 1 1    0   13   48 o  127.975   8.4889   45.124   5.8224   42.604   8.6586   47.204   7.8666  124.563   12.864  131.387   11.080 -6.824196 16.97787 
1 1 1    0   13   49 o  176.565   6.8093   84.610   6.4665   89.853   9.7241   80.453   8.6583  181.387   9.9210  171.743   9.3297 9.643738 13.61869 
1 1 1    0   13   50 o  298.545   5.8757  243.388   9.4615  228.764   13.470  257.631   13.293  289.580   8.6080  307.509   7.9999 -17.92902 11.75139 
1 1 1    0   13   51 o  235.941   5.8641  151.885   7.4482  151.829   11.019  151.933   10.107  235.800   8.6479  236.082   7.9224 -0.2814636 11.72820 
1 1 1    0   13   52 o  228.258   7.0903  138.034   8.1158  156.531   14.884  130.207   9.6816  238.162   11.566  218.354   8.2054 19.80800 14.18069 
1 1 1    0   13   53 o  160.774   8.7341   67.860   6.9940   82.185   13.141   62.199   8.2612  171.249   14.201  150.298   10.172 20.95100 17.46829 
1 1 1    0   13   54 o  238.428   7.0340  155.710   8.9227  151.353   11.573  162.095   14.010  234.713   9.1251  242.144   10.707 -7.431351 14.06809 
1 1 1    0   13   55 o   99.227   11.224   28.600   5.8002   27.153   8.7720   29.724   7.7316   95.764   17.600  102.689   13.933 -6.924500 22.44774 
1 1 1    0   13   56 o  185.839   10.378   98.163   10.403  106.036   14.901   90.676   14.531  193.365   14.261  178.314   15.081 15.05072 20.75604 
1 1 1    0   13   57 o   68.091   17.834   12.993   8.8222   17.448   12.820   8.9865   12.159   74.528   25.953   61.653   24.469 12.87470 35.66890 
1 1 1    0   13   58 o   59.855   14.279   10.403   6.6238  -7.9730   12.783   17.148   7.7445   45.376   21.176   74.333   19.160 -28.95724 28.55739 
1 1 1    0   13   59 o  222.600   6.4168  137.600   7.6898  132.156   11.226  142.413   10.555  218.165   9.5224  227.035   8.6037 -8.869751 12.83357 
1 1 1    0   13   60 o  182.219   7.1114   93.561   6.9464   83.333   10.048  102.926   9.6138  172.129   10.803  192.309   9.2514 -20.18027 14.22271 
1 1 1    0   13   61 o  120.526   9.7654   42.794   6.2654   37.606   9.2558   47.182   8.5120  112.792   15.186  128.261   12.281 -15.46859 19.53089 
1 1 1    0   13   62 o  159.416   8.0050   71.360   6.8252   87.266   10.306   58.936   9.1088  175.324   10.879  143.508   11.746 31.81580 16.00998 
1 1 1    0   13   63 o   37.732   12.485  -6.4372   6.4179  -3.2395   8.9014  -9.8990   9.2618   40.045   18.323   35.419   16.963 4.625366 24.96906 
1 1 1    0   13   64 o  117.338   10.420   42.808   6.5566   40.117   9.6251   45.138   8.9559  112.769   15.795  121.907   13.595 -9.138359 20.84051 
1 1 1    0   13   65 o   45.011   13.779   2.5904   6.1666   4.6138   9.0873   0.8633   8.3956   47.888   20.288   42.134   18.650 5.754498 27.55771 
1 1 1    0   13   66 o  121.796   10.391   45.447   6.7158   58.839   10.291   35.513   8.8633  138.080   13.792  105.512   15.546 32.56817 20.78212 
1 1 1    0   14    1 o  470.654   9.5300  599.265   24.237   0.0000   0.0000  599.265   24.237  ?   ?   470.654   9.5300      ?      ? 
1 1 1    0   14    2 o  588.617   15.320  939.189   48.729  939.189   48.729   0.0000   0.0000  588.617   15.320  ?   ?       ?      ? 
1 1 1    0   14    3 o  761.330   18.957  1573.87   77.990  1573.87   77.990   0.0000   0.0000  761.330   18.957  ?   ?       ?      ? 
1 1 1    0   14    4 o  608.438   9.5854  1005.26   29.945  994.594   50.893  1010.90   37.034  605.722   15.549  611.154   11.214 -5.431519 19.17087 
1 1 1    0   14    5 o  220.411   6.9108  131.522   8.2249  135.856   11.555  127.072   11.710  224.100   9.5422  216.721   9.9992 7.378769 13.82165 
1 1 1    0   14    6 f  214.455   6.7247  124.486   7.7877  128.806   10.966  120.090   11.062  218.217   9.2998  210.693   9.7158 7.523712 13.44932 
1 1 1    0   14    7 o  512.808   9.6838  712.223   26.833  707.207   37.756  717.342   38.143  510.986   13.674  514.630   13.716 -3.644562 19.36760 
1 1 1    0   14    8 o  492.952   9.3794  657.799   24.977  647.523   34.818  668.694   35.851  488.995   13.177  496.909   13.352 -7.914581 18.75886 
1 1 1    0   14    9 o  362.171   7.7648  354.923   15.195  357.883   21.607  352.027   21.374  363.664   10.995  360.678   10.967 2.985992 15.52954 
1 1 1    0   14   10 o  350.382   6.6909  332.377   12.067  331.081   20.440  333.070   14.949  349.797   10.814  350.968   7.8826 -1.171204 13.38183 
1 1 1    0   14   11 o  466.515   7.8770  586.989   18.713  594.594   32.540  583.231   22.874  468.650   12.849  464.380   9.1153 4.270203 15.75408 
1 1 1    0   14   12 o  137.172   12.223   50.923   9.0603   50.923   9.0603   0.0000   0.0000  137.172   12.223  ?   ?       ?      ? 
1 1 1    0   14   13 o  901.350   11.075  2200.18   53.925  2226.43   77.363  2175.38   75.204  906.558   15.792  896.143   15.530 10.41467 22.14927 
1 1 1    0   14   14 o  632.431   8.1233  1082.09   27.760  1074.94   39.118  1089.34   39.401  630.326   11.485  634.536   11.491 -4.209778 16.24656 
1 1 1    0   14   15 o  259.192   7.3511  181.609   10.296   0.0000   0.0000  181.609   10.296  ?   ?   259.192   7.3511      ?      ? 
1 1 1    0   14   16 o  1332.46   16.012  4820.80  115.285  4810.65  162.781  4831.02  163.297  1331.05   22.632  1333.86   22.656 -2.807495 32.02323 
1 1 1    0   14   17 o  964.652   11.803  2520.38   61.522  2532.87   87.631  2508.24   86.394  966.997   16.770  962.306   16.614 4.690369 23.60680 
1 1 1    0   14   19 o  1613.09   19.288  7071.49  168.124  7058.45  237.476  7084.59  238.051  1611.60   27.269  1614.57   27.285 -2.975952 38.57578 
1 1 1    0   14   20 o  1029.63   12.512  2870.19   69.594  2827.13   97.023  2915.82   99.880  1021.70   17.574  1037.57   17.815 -15.86786 25.02387 
1 1 1    0   14   21 f  194.730   5.6396  102.166   5.9119  106.253   8.8169   98.828   7.9688  198.253   8.2302  191.207   7.7126 7.045563 11.27917 
1 1 1    0   14   22 o  377.825   5.8320  385.858   11.899  387.539   17.161  384.302   16.513  378.614   8.3880  377.037   8.1050 1.577026 11.66403 
1 1 1    0   14   24 o  456.012   9.0357  562.245   22.265   0.0000   0.0000  562.245   22.265  ?   ?   456.012   9.0357      ?      ? 
1 1 1    0   14   25 o  151.025   9.5332   61.676   7.7799   61.676   7.7799   0.0000   0.0000  151.025   9.5332  ?   ?       ?      ? 
1 1 1    0   14   27 o  482.580   9.4914  629.852   24.751   0.0000   0.0000  629.852   24.751  ?   ?   482.580   9.4914      ?      ? 
1 1 1    0   14   28 o  625.030   8.1538  1053.41   27.475  1003.68   37.337  1112.14   40.577  609.016   11.345  641.044   11.714 -32.02777 16.30752 
1 1 1    0   14   29 o  149.805   7.6531   60.306   6.1736   67.178   9.1590   54.584   8.3576  157.574   10.757  142.036   10.889 15.53859 15.30615 
1 1 1    0   14   30 o  869.382   15.217  2048.06   71.488   0.0000   0.0000  2048.06   71.488  ?   ?   869.382   15.217      ?      ? 
1 1 1    0   14   31 o  501.553   9.9339  680.583   26.923   0.0000   0.0000  680.583   26.923  ?   ?   501.553   9.9339      ?      ? 
1 1 1    0   14   32 o  410.475   8.0552  456.649   16.791  457.817   20.516  454.279   29.224  411.397   9.2288  409.552   13.205 1.844849 16.11036 
1 1 1    0   14   33 o  365.187   8.6527  360.763   17.075   0.0000   0.0000  360.763   17.075  ?   ?   365.187   8.6527      ?      ? 
1 1 1    0   14   34 o  351.980   7.5477  335.944   13.340  334.009   23.718  336.840   16.133  351.103   12.501  352.858   8.4611 -1.755646 15.09544 
1 1 1    0   14   35 o  389.464   6.2725  410.317   13.197  398.045   18.500  423.032   18.832  383.533   8.9267  395.395   8.8141 -11.86234 12.54491 
1 1 1    0   14   36 o  258.774   6.0506  181.034   8.4461  184.735   12.365  177.797   11.564  261.239   8.7591  256.308   8.3498 4.931152 12.10124 
1 1 1    0   14   37 o  345.681   8.2802  323.450   15.467   0.0000   0.0000  323.450   15.467  ?   ?   345.681   8.2802      ?      ? 
1 1 1    0   14   38 o  472.250   6.7885  604.151   17.318  605.769   24.824  602.616   24.171  472.851   9.7155  471.649   9.4838 1.201630 13.57695 
1 1 1    0   14   39 o  534.165   7.3327  772.568   21.146  745.561   29.157  802.538   30.714  524.347   10.291  543.983   10.449 -19.63605 14.66536 
1 1 1    0   14   40 o  206.657   6.3496  115.465   7.0745  120.046   10.433  111.566   9.6258  210.426   9.1750  202.887   8.7800 7.538727 12.69917 
1 1 1    0   14   41 o  341.376   5.9370  316.147   10.942  307.317   15.665  324.559   15.290  336.689   8.6104  346.062   8.1764 -9.373749 11.87403 
1 1 1    0   14   42 o  373.030   8.2822  378.960   16.656  374.775   24.320  382.658   22.858  370.990   12.132  375.069   11.278 -4.079193 16.56435 
1 1 1    0   14   43 o  199.608   8.2979  108.803   8.8420  107.162   13.544  110.022   11.673  198.154   12.649  201.062   10.744 -2.908340 16.59589 
1 1 1    0   14   44 o  346.935   8.0060  327.963   14.962  327.477   22.038  328.378   20.378  346.581   11.767  347.289   10.859 -0.7076416 16.01194 
1 1 1    0   14   45 o  108.421   9.7554   31.824   5.6718   35.473   8.7026   29.130   7.4782  113.715   14.163  103.127   13.420 10.58801 19.51074 
1 1 1    0   14   46 o  140.021   7.8611   54.324   5.8563   47.694   8.7253   59.759   7.9001  131.972   12.235  148.070   9.8737 -16.09720 15.72227 
1 1 1    0   14   47 o  330.515   5.9206  297.472   10.560  279.918   14.950  314.950   14.917  320.706   8.6265  340.325   8.1116 -19.61972 11.84123 
1 1 1    0   14   48 o  175.237   6.9459   85.556   6.4376   69.014   9.4180  100.062   8.8197  158.784   10.976  191.689   8.5147 -32.90477 13.89183 
1 1 1    0   14   49 o  206.117   6.2758  115.499   6.9533  120.296   10.463  111.705   9.3051  209.850   9.2274  202.384   8.5086 7.465775 12.55156 
1 1 1    0   14   50 o  133.495   12.024   49.135   8.6734   49.135   8.6734   0.0000   0.0000  133.495   12.024  ?   ?       ?      ? 
1 1 1    0   14   51 o  124.904   8.8325   43.859   5.8626   37.383   8.6438   49.376   7.9781  115.900   13.802  133.908   11.026 -18.00782 17.66504 
1 1 1    0   14   52 o  107.098   10.208   32.061   5.8516   32.988   8.9601   31.371   7.7270  108.194   15.326  106.003   13.490 2.190804 20.41697 
1 1 1    0   14   53 o   57.017   14.628   8.2465   6.2784  -2.7027   11.726   12.647   7.4338   48.715   21.772   65.320   19.542 -16.60504 29.25633 
1 1 1    0   14   54 o   46.395   13.934   0.3441   6.3658   5.4059   8.7976  -5.2185   9.2226   52.439   20.813   40.350   18.531 12.08897 27.86768 
1 1 1    0   14   55 o   87.680   25.701   24.820   12.964   24.820   12.964   0.0000   0.0000   87.680   25.701  ?   ?       ?      ? 
1 1 1    0   14   56 o  112.405   16.550   40.132   9.7295   44.302   13.821   36.036   13.699  119.112   22.293  105.698   24.468 13.41360 33.10047 
1 1 1    0   14   57 o  147.900   12.207   64.184   9.7454   68.378   14.091   60.338   13.493  152.648   17.083  143.152   17.443 9.497070 24.41464 
1 1 1    0   14   58 o  184.245   7.2679   93.441   7.1806  104.249   11.019   85.464   9.4665  193.236   10.553  175.253   9.9962 17.98329 14.53573 
1 1 1    0   14   59 o  275.619   6.1724  210.532   9.1585  212.345   13.571  209.016   12.411  276.411   9.0858  274.826   8.3572 1.585419 12.34483 
1 1 1    0   14   60 o  145.457   8.3184   60.476   6.4983   55.548   9.4327   64.927   8.9652  139.298   12.531  151.616   10.943 -12.31709 16.63678 
1 1 1    0   14   61 o  148.386   11.305   62.864   9.0650   0.0000   0.0000   62.864   9.0650  ?   ?   148.386   11.305      ?      ? 
1 1 1    0   14   62 o  128.083   14.882   48.317   10.300   48.317   10.300   0.0000   0.0000  128.083   14.882  ?   ?       ?      ? 
1 1 1    0   14   63 o  189.910   7.4954  104.067   7.6630  103.996   11.318  104.128   10.413  189.309   11.064  190.510   10.115 -1.201462 14.99073 
1 1 1    0   14   64 o  140.441   9.3336   58.676   7.0665   58.297   10.316   59.011   9.6996  139.536   13.682  141.346   12.699 -1.809952 18.66719 
1 1 1    0   14   65 o  149.355   8.9182   66.461   7.1473   73.959   10.925   60.850   9.4503  156.226   12.941  142.484   12.274 13.74223 17.83636 
1 1 1    0   15    1 o  471.000   6.6388  599.713   16.896   0.0000   0.0000  599.713   16.896  ?   ?   471.000   6.6388      ?      ? 
1 1 1    0   15    2 o  777.866   9.7122  1636.75   40.824   0.0000   0.0000  1636.75   40.824  ?   ?   777.866   9.7122      ?      ? 
1 1 1    0   15    3 o  334.068   6.4304  302.137   11.008  300.901   18.820  302.779   13.572  333.494   10.444  334.643   7.5055 -1.149139 12.86085 
1 1 1    0   15    4 o  471.380   6.5901  600.782   16.783  591.404   23.443  610.641   24.037  467.611   9.2778  475.150   9.3617 -7.539520 13.18025 
1 1 1    0   15    5 o  214.154   5.6185  123.889   6.4952  126.446   9.4362  121.586   8.9541  216.249   8.0752  212.058   7.8141 4.191452 11.23695 
1 1 1    0   15    6 o  1097.80   13.339  3268.27   79.104  3221.11  110.263  3318.28  113.548  1089.68   18.726  1105.92   19.001 -16.24707 26.67747 
1 1 1    0   15   10 o  219.288   7.7968  130.006   9.2389   0.0000   0.0000  130.006   9.2389  ?   ?   219.288   7.7968      ?      ? 
1 1 1    0   15   11 o  363.754   5.7561  357.686   11.313  350.230   15.900  365.331   16.100  359.915   8.1752  367.594   8.1052 -7.679688 11.51213 
1 1 1    0   15   12 o  532.932   7.1667  767.400   20.622  785.980   29.888  750.516   28.490  539.076   10.260  526.787   10.009 12.28882 14.33333 
1 1 1    0   15   14 o  463.499   6.5397  580.166   16.362  595.918   23.795  566.035   22.536  469.455   9.3800  457.543   9.1151 11.91217 13.07938 
1 1 1    0   15   16 o  1505.08   18.051  6151.81  146.800  6173.19  208.563  6130.81  206.663  1507.65   25.601  1502.51   25.454 5.140381 36.10126 
1 1 1    0   15   17 o  1298.10   15.612  4569.54  109.501  4534.23  153.742  4605.89  155.999  1293.03   22.004  1303.18   22.153 -10.14502 31.22360 
1 1 1    0   15   19 o  1139.07   13.774  3516.65   84.780  3496.29  119.282  3537.43  120.523  1135.74   19.436  1142.39   19.524 -6.645508 27.54886 
1 1 1    0   15   20 o  966.117   11.850  2528.00   61.861  2531.52   87.765  2524.52   87.206  966.780   16.800  965.455   16.716 1.325378 23.69918 
1 1 1    0   15   21 f  770.237   9.6421  1605.51   40.131  1607.06   56.945  1603.99   56.563  770.602   13.675  769.872   13.596 0.7294922 19.28423 
1 1 1    0   15   22 o  741.717   9.3375  1485.92   37.375  1437.41   51.280  1540.89   54.588  728.843   13.020  754.591   13.388 -25.74750 18.67505 
1 1 1    0   15   23 o  694.365   8.8391  1304.53   33.165  1298.30   46.831  1310.80   46.974  692.701   12.511  696.029   12.490 -3.327942 17.67818 
1 1 1    0   15   24 o  484.201   6.8025  634.045   17.798  631.001   25.194  637.076   25.147  483.040   9.6521  485.363   9.5883 -2.322662 13.60504 
1 1 1    0   15   25 o  481.086   6.8003  625.858   17.677  615.295   24.819  636.733   25.182  476.966   9.6296  485.205   9.6045 -8.239594 13.60059 
1 1 1    0   15   26 o  427.053   8.9506  493.224   20.655   0.0000   0.0000  493.224   20.655  ?   ?   427.053   8.9506      ?      ? 
1 1 1    0   15   27 o  713.261   12.803  1377.22   49.346   0.0000   0.0000  1377.22   49.346  ?   ?   713.261   12.803      ?      ? 
1 1 1    0   15   28 f  514.686   7.2069  716.655   20.043  709.296   28.364  723.994   28.326  512.043   10.251  517.328   10.133 -5.285400 14.41373 
1 1 1    0   15   29 o  247.739   8.7271  165.995   11.683   0.0000   0.0000  165.995   11.683  ?   ?   247.739   8.7271      ?      ? 
1 1 1    0   15   30 o  644.064   11.878  1122.93   41.340   0.0000   0.0000  1122.93   41.340  ?   ?   644.064   11.878      ?      ? 
1 1 1    0   15   31 o  523.692   9.0754  744.136   24.239  746.870   29.751  738.739   41.805  525.339   10.480  522.046   14.820 3.292480 18.15090 
1 1 1    0   15   32 o  868.314   10.811  2045.21   50.722  2019.40   71.112  2071.94   72.369  862.747   15.254  873.881   15.325 -11.13367 21.62269 
1 1 1    0   15   33 o  401.779   7.9616  426.501   15.765  463.063   29.589  412.008   18.629  413.332   13.248  390.226   8.8347 23.10660 15.92325 
1 1 1    0   15   34 o  740.032   13.250  1485.22   52.986   0.0000   0.0000  1485.22   52.986  ?   ?   740.032   13.250      ?      ? 
1 1 1    0   15   35 o  489.012   6.9889  647.803   18.465  642.433   26.278  653.041   25.952  486.997   9.9856  491.027   9.7810 -4.029541 13.97784 
1 1 1    0   15   36 o  237.880   6.2053  152.726   7.9475  158.674   11.840  147.849   10.722  242.066   9.0520  233.695   8.4903 8.371765 12.41063 
1 1 1    0   15   37 o  192.427   6.8893  100.559   7.1215   98.129   10.592  102.563   9.6204  190.268   10.302  194.586   9.1494 -4.317978 13.77855 
1 1 1    0   15   38 o  222.528   6.3247  134.379   7.5817  131.475   11.101  136.917   10.380  220.243   9.3278  224.813   8.5441 -4.569626 12.64949 
1 1 1    0   15   39 f  207.061   9.0920  116.241   10.173   0.0000   0.0000  116.241   10.173  ?   ?   207.061   9.0920      ?      ? 
1 1 1    0   15   40 o  412.368   8.7030  462.361   19.333  467.117   28.549  458.333   26.274  414.217   12.755  410.518   11.844 3.698212 17.40595 
1 1 1    0   15   41 o  507.723   9.8938  703.690   27.101  710.135   39.528  697.973   37.229  509.774   14.350  505.671   13.625 4.103210 19.78751 
1 1 1    0   15   42 o  344.797   8.2122  323.701   15.194  326.351   22.917  321.622   20.297  345.887   12.261  343.708   10.928 2.178558 16.42439 
1 1 1    0   15   43 o  134.966   8.6047   50.163   6.1882   46.486   9.3634   53.014   8.2456  130.407   13.287  139.524   10.937 -9.116806 17.20949 
1 1 1    0   15   44 f  341.931   6.0227  317.844   11.118  313.362   15.997  322.032   15.464  339.552   8.7184  344.310   8.3114 -4.757843 12.04536 
1 1 1    0   15   45 o   93.348   14.323   23.985   7.2247   0.0000   0.0000   23.985   7.2247  ?   ?    93.348   14.323      ?      ? 
1 1 1    0   15   46 f  458.274   6.7407  572.386   16.681  575.890   24.081  569.154   23.128  459.551   9.6972  456.997   9.3656 2.553802 13.48148 
1 1 1    0   15   47 o  153.601   7.4697   63.848   6.1391   69.232   9.5021   59.991   8.0432  159.010   11.059  148.191   10.044 10.81969 14.93932 
1 1 1    0   15   48 o  191.507   6.6688  100.107   6.8466  101.279   10.379   99.204   9.1100  192.365   9.9847  190.648   8.8429 1.716858 13.33762 
1 1 1    0   15   49 o   74.896   12.651   16.994   5.3723   9.0798   8.1968   22.953   7.1131   58.963   20.739   90.829   14.493 -31.86597 25.30139 
1 1 1    0   15   50 o   83.236   12.839   20.481   5.5787   19.343   8.4345   21.365   7.4380   80.705   19.548   85.767   16.649 -5.061852 25.67708 
1 1 1    0   15   51 o  171.568   7.1760   80.052   6.5963   88.412   10.165   73.971   8.6698  179.099   10.503  164.036   9.7809 15.06319 14.35209 
1 1 1    0   15   52 o  259.423   6.0593  183.718   8.4440  191.118   12.750  177.936   11.270  263.893   8.9414  254.952   8.1801 8.941254 12.11866 
1 1 1    0   15   53 o   91.791   12.249   23.501   5.8543   33.021   9.3811   17.429   7.4922  107.485   16.152   76.097   18.418 31.38763 24.49730 
1 1 1    0   15   54 o  158.377   17.312   72.568   14.816   0.0000   0.0000   72.568   14.816  ?   ?   158.377   17.312      ?      ? 
1 1 1    0   15   55 f  178.754   15.733   91.982   15.197   91.982   15.197   0.0000   0.0000  178.754   15.733  ?   ?       ?      ? 
1 1 1    0   15   56 o  242.856   9.8203  167.525   12.842  159.031   17.308  177.928   19.156  236.350   13.552  249.361   14.216 -13.01065 19.64063 
1 1 1    0   15   57 o   76.875   14.407   18.096   6.1033   23.217   9.3164   14.246   8.0781   86.076   20.350   67.674   20.400 18.40188 28.81471 
1 1 1    0   15   58 o   37.794   12.332  -4.3866   5.7922  -6.0325   9.1719  -3.2947   7.4704   38.658   18.006   36.929   16.854 1.729183 24.66364 
1 1 1    0   15   59 o  142.272   8.7393   58.993   6.5423   49.680   9.8795   66.266   8.7311  131.014   13.955  153.530   10.524 -22.51593 17.47850 
1 1 1    0   15   60 o   63.478   15.372   13.104   6.3024   14.794   9.6236   11.835   8.3395   66.305   22.508   60.650   20.942 5.655331 30.74358 
1 1 1    0   15   61 o  155.627   9.4473   72.717   7.4463   45.941   10.615   98.655   10.448  124.205   15.816  187.048   10.337 -62.84233 18.89468 
1 1 1    0   15   62 o  119.866   10.557   43.205   6.8216   46.121   10.086   40.746   9.2613  123.414   15.124  116.318   14.735 7.096001 21.11468 
1 1 1    0   15   63 o   98.163   13.125   31.840   6.6900   33.057   9.8753   30.808   9.0949   99.426   19.075   96.899   18.033 2.527306 26.24950 
1 1 1    0   15   64 o  140.563   9.4001   59.842   7.1123   60.278   10.523   59.476   9.6504  140.353   13.875  140.773   12.686 -0.4199829 18.80017 
1 1 1    0   16    0 o  445.451   9.2088  536.350   22.166   0.0000   0.0000  536.350   22.166  ?   ?   445.451   9.2088      ?      ? 
1 1 1    0   16    1 o  292.585   7.2417  231.418   11.449   0.0000   0.0000  231.418   11.449  ?   ?   292.585   7.2417      ?      ? 
1 1 1    0   16    2 o  358.431   7.8442  347.332   15.193   0.0000   0.0000  347.332   15.193  ?   ?   358.431   7.8442      ?      ? 
1 1 1    0   16    3 o  711.987   10.999  1364.82   39.580  1396.17   69.999  1350.09   47.988  717.655   18.050  706.318   12.573 11.33661 21.99772 
1 1 1    0   16    4 o  467.015   7.8507  593.648   18.841  578.153   31.837  602.000   23.373  462.203   12.747  471.828   9.1675 -9.624298 15.70136 
1 1 1    0   16    7 o  711.435   9.0409  1369.66   34.756  1372.53   49.342  1366.82   48.964  712.173   12.822  710.696   12.750 1.476990 18.08176 
1 1 1    0   16    8 o  139.236   7.1161   52.730   5.3110   60.238   7.4960   45.161   7.5258  149.255   9.2942  129.216   10.778 20.03954 14.23212 
1 1 1    0   16   10 o  734.801   13.131  1461.00   52.138   0.0000   0.0000  1461.00   52.138  ?   ?   734.801   13.131      ?      ? 
1 1 1    0   16   11 o  722.422   9.1496  1411.83   35.714  1397.23   50.096  1426.92   50.930  718.628   12.901  726.216   12.978 -7.587952 18.29926 
1 1 1    0   16   13 o  667.518   8.5627  1205.20   30.884  1210.44   43.946  1200.08   43.413  668.950   12.157  666.087   12.061 2.862976 17.12546 
1 1 1    0   16   14 o  491.345   6.8432  652.745   18.168  653.319   25.841  652.183   25.548  491.557   9.7287  491.133   9.6265 0.4237061 13.68637 
1 1 1    0   16   15 o  1087.94   13.210  3206.21   77.648  3168.19  108.599  3245.97  111.064  1081.35   18.585  1094.52   18.779 -13.16174 26.42055 
1 1 1    0   16   16 o  872.817   15.276  2062.36   72.046   0.0000   0.0000  2062.36   72.046  ?   ?   872.817   15.276      ?      ? 
1 1 1    0   16   17 o  307.182   7.9420  255.087   13.183   0.0000   0.0000  255.087   13.183  ?   ?   307.182   7.9420      ?      ? 
1 1 1    0   16   18 o  158.475   7.0245   67.380   5.9822   78.233   8.8697   58.323   8.1025  170.094   9.6501  146.857   10.210 23.23746 14.04901 
1 1 1    0   16   19 o  1139.55   13.807  3517.44   84.968  3443.70  117.639  3597.86  122.857  1127.11   19.315  1151.98   19.736 -24.86926 27.61498 
1 1 1    0   16   20 o  498.755   6.9790  672.594   18.808  661.530   26.434  683.938   26.766  494.601   9.8904  502.909   9.8493 -8.308929 13.95809 
1 1 1    0   16   21 o  526.469   7.2311  749.228   20.566  733.601   28.669  765.795   29.518  520.818   10.187  532.120   10.266 -11.30145 14.46230 
1 1 1    0   16   22 o  425.829   6.3946  490.400   14.712  486.342   20.944  494.351   20.669  424.086   9.1396  427.572   8.9460 -3.485107 12.78919 
1 1 1    0   16   23 o  462.385   6.7245  578.055   16.799  565.261   23.516  591.388   24.006  457.162   9.5194  467.609   9.5004 -10.44696 13.44902 
1 1 1    0   16   24 f  386.893   6.2360  404.791   13.034  391.943   18.345  417.886   18.521  380.690   8.9178  393.096   8.7192 -12.40591 12.47203 
1 1 1    0   16   25 o  761.666   9.6333  1570.89   39.648  1565.96   56.077  1575.82   56.065  760.468   13.646  762.863   13.601 -2.395264 19.26652 
1 1 1    0   16   26 o  552.672   7.5629  826.414   22.585  826.346   32.127  826.481   31.755  552.645   10.758  552.699   10.633 -0.5401611E-01 15.12578 
1 1 1    0   16   27 o  737.441   13.275  1472.79   52.901   0.0000   0.0000  1472.79   52.901  ?   ?   737.441   13.275      ?      ? 
1 1 1    0   16   28 o  957.417   16.682  2486.07   86.305   0.0000   0.0000  2486.07   86.305  ?   ?   957.417   16.682      ?      ? 
1 1 1    0   16   29 o  349.884   6.3763  330.473   12.029  340.697   17.714  321.724   16.386  354.886   9.2369  344.883   8.7925 10.00317 12.75259 
1 1 1    0   16   30 f  299.951   8.2066  241.979   12.375  239.148   14.929  248.198   22.123  297.290   9.2930  302.612   13.529 -5.321625 16.41328 
1 1 1    0   16   31 o  1088.39   13.338  3209.69   78.229  3075.50  106.002  3370.19  115.927  1063.65   18.443  1113.13   19.273 -49.48035 26.67578 
1 1 1    0   16   32 o  208.947   8.3666  109.351   8.7289  142.027   16.535   96.727   10.278  228.873   13.370  189.022   10.062 39.85085 16.73315 
1 1 1    0   16   33 o  398.348   8.8748  429.556   19.103   0.0000   0.0000  429.556   19.103  ?   ?   398.348   8.8748      ?      ? 
1 1 1    0   16   34 o  411.035   9.0020  457.462   19.994   0.0000   0.0000  457.462   19.994  ?   ?   411.035   9.0020      ?      ? 
1 1 1    0   16   35 o  272.875   6.2902  201.634   9.2509  201.710   13.582  201.569   12.635  272.901   9.2102  272.850   8.5695 0.5014038E-01 12.58032 
1 1 1    0   16   36 o  620.080   8.2124  1043.38   27.516  1031.31   38.709  1055.71   39.121  616.453   11.621  623.706   11.608 -7.252502 16.42481 
1 1 1    0   16   37 o  272.494   6.1511  200.580   9.0275  208.641   13.420  193.918   12.201  277.455   8.9508  267.533   8.4397 9.922241 12.30224 
1 1 1    0   16   38 o  399.968   8.7649  435.689   18.918  415.315   26.977  455.405   26.538  390.672   12.779  409.265   12.000 -18.59314 17.52973 
1 1 1    0   16   39 o  305.682   8.1383  251.534   13.179  266.892   21.071  241.667   16.890  313.098   12.454  298.266   10.479 14.83188 16.27662 
1 1 1    0   16   40 o  263.996   8.2777  192.059   11.665  164.527   16.940  216.892   16.088  245.589   12.765  282.404   10.542 -36.81532 16.55542 
1 1 1    0   16   41 o  164.406   7.4788   72.807   6.5912   79.301   10.119   68.022   8.6867  170.664   10.973  158.148   10.165 12.51682 14.95759 
1 1 1    0   16   42 o  242.504   6.3045  161.100   8.1909  142.287   11.866  178.222   11.320  228.762   9.5994  256.246   8.1755 -27.48450 12.60901 
1 1 1    0   16   43 o  245.377   6.2162  164.100   8.1957  159.635   12.162  167.815   11.093  242.221   9.2918  248.532   8.2598 -6.310638 12.43233 
1 1 1    0   16   44 o  178.133   7.1460   88.512   6.7107   74.658   10.147   99.284   8.9469  165.239   11.364  191.027   8.6674 -25.78894 14.29195 
1 1 1    0   16   45 o  259.686   6.0639  184.174   8.4784  173.029   12.269  194.363   11.730  252.041   9.0081  267.330   8.1203 -15.28851 12.12785 
1 1 1    0   16   46 o  189.556   6.6786   97.847   6.7988   99.898   10.243   96.232   9.0902  191.232   9.9120  187.880   8.9538 3.352966 13.35729 
1 1 1    0   16   47 o  243.541   6.1736  161.112   8.0674  168.031   12.257  155.825   10.715  248.014   9.1461  239.068   8.2947 8.945908 12.34718 
1 1 1    0   16   48 o   48.247   13.760   3.4304   5.4645   4.1229   8.4537   2.9334   7.1619   50.631   20.300   45.864   18.580 4.767082 27.51958 
1 1 1    0   16   49 o  328.346   6.0722  294.100   10.732  301.404   15.975  288.094   14.488  331.909   8.9072  324.783   8.2551 7.125641 12.14430 
1 1 1    0   16   50 o   67.334   14.216   12.836   5.5222   16.986   8.7660   10.105   7.1104   75.102   20.857   59.566   19.323 15.53621 28.43236 
1 1 1    0   16   51 o  189.609   6.7882   99.553   6.8821   93.736   10.326  104.201   9.2312  184.310   10.368  194.908   8.7648 -10.59749 13.57631 
1 1 1    0   16   52 o  142.674   8.3203   57.719   6.2885   48.315   9.2934   65.661   8.5407  131.246   13.104  154.103   10.256 -22.85747 16.64054 
1 1 1    0   16   53 o   93.526   14.767   21.910   9.5742  -4.2275   12.708   56.216   14.560   48.876   22.181  138.176   19.500 -89.29975 29.53364 
1 1 1    0   16   54 o  166.691   17.444   81.104   15.712   0.0000   0.0000   81.104   15.712  ?   ?   166.691   17.444      ?      ? 
1 1 1    0   16   55 o  104.247   18.571   36.415   10.606   28.694   14.787   44.595   15.220   91.575   27.600  116.920   24.856 -25.34557 37.14214 
1 1 1    0   16   56 o  156.357   9.5687   68.336   7.8582   48.959   10.437   93.694   11.940  130.431   14.809  182.284   12.122 -51.85306 19.13748 
1 1 1    0   16   57 o  145.249   8.6297   58.459   6.6919   71.558   10.411   49.236   8.7358  158.827   12.130  131.671   12.278 27.15689 17.25943 
1 1 1    0   16   58 o  209.192   7.0897  121.937   7.9521  127.179   12.117  117.970   10.539  212.737   10.541  205.646   9.4840 7.090652 14.17950 
1 1 1    0   16   59 o  116.607   10.847   40.487   6.7474   41.486   10.425   39.766   8.8517  116.971   16.493  116.243   14.092 0.7283020 21.69303 
1 1 1    0   16   60 o  171.728   8.3430   84.872   7.6733   75.821   11.150   93.016   10.576  162.207   12.720  181.249   10.799 -19.04155 16.68597 
1 1 1    0   16   61 o  173.827   8.1829   87.532   7.6189   76.922   10.958   97.463   10.601  162.709   12.463  184.946   10.607 -22.23666 16.36579 
1 1 1    0   16   62 o  111.202   12.866   42.442   7.0714   29.710   10.690   52.348   9.4295   90.380   22.077  132.023   13.217 -41.64278 25.73155 
1 1 1    0   16   63 o  201.104   7.5562  116.429   8.1603  126.369   12.404  108.843   10.836  208.154   11.027  194.054   10.333 14.10016 15.11236 
1 1 1    0   17    1 o  336.986   5.8569  306.907   10.665   0.0000   0.0000  306.907   10.665  ?   ?   336.986   5.8569      ?      ? 
1 1 1    0   17    2 o  1284.87   15.468  4469.41  107.396   0.0000   0.0000  4469.41  107.396  ?   ?   1284.87   15.468      ?      ? 
1 1 1    0   17    3 o  326.527   5.8852  288.152   10.384   0.0000   0.0000  288.152   10.384  ?   ?   326.527   5.8852      ?      ? 
1 1 1    0   17    4 o  525.289   8.1781  738.110   20.024  762.612   40.602  730.235   23.018  530.843   14.155  519.736   8.1958 11.10693 16.35614 
1 1 1    0   17    6 o  244.435   8.2127  161.516   10.848   0.0000   0.0000  161.516   10.848  ?   ?   244.435   8.2127      ?      ? 
1 1 1    0   17    7 o  337.310   5.8263  307.390   10.616  313.961   15.272  301.247   14.766  340.794   8.2930  333.825   8.1858 6.969574 11.65250 
1 1 1    0   17    9 o  154.352   7.0662   64.426   5.8925   66.059   8.3441   62.802   8.3224  156.305   9.8791  152.400   10.106 3.905563 14.13246 
1 1 1    0   17   11 o  121.329   11.397   39.815   7.4722   0.0000   0.0000   39.815   7.4722  ?   ?   121.329   11.397      ?      ? 
1 1 1    0   17   12 o  153.760   7.0677   63.969   5.8439   63.543   8.6879   64.321   7.8976  153.286   10.489  154.234   9.4760 -0.9483795 14.13544 
1 1 1    0   17   13 o  756.091   9.5461  1546.66   38.996  1528.27   54.562  1565.86   55.755  751.503   13.436  760.679   13.564 -9.175110 19.09222 
1 1 1    0   17   14 f  1139.17   13.825  3517.89   85.103  3516.39  120.427  3519.39  120.282  1138.92   19.568  1139.41   19.536 -0.4912109 27.65044 
1 1 1    0   17   15 o  188.209   8.7490   95.770   8.8979   0.0000   0.0000   95.770   8.8979  ?   ?   188.209   8.7490      ?      ? 
1 1 1    0   17   18 o  1231.01   14.902  4107.63   99.053  4014.49  136.962  4209.77  143.427  1216.45   20.836  1245.57   21.310 -29.11816 29.80340 
1 1 1    0   17   19 o  237.909   8.7535  153.044   11.253   0.0000   0.0000  153.044   11.253  ?   ?   237.909   8.7535      ?      ? 
1 1 1    0   17   20 o  150.278   7.7461   61.082   6.2885   61.740   9.0160   60.459   8.7756  151.064   11.045  149.492   10.863 1.572189 15.49213 
1 1 1    0   17   21 o  174.207   7.3968   82.034   6.9543   87.969   9.9832   76.438   9.6930  180.328   10.245  168.086   10.672 12.24222 14.79363 
1 1 1    0   17   22 o  641.877   8.4265  1114.26   29.214  1087.58   40.585  1142.95   42.086  633.915   11.848  649.839   11.985 -15.92407 16.85302 
1 1 1    0   17   23 o  479.712   9.8418  622.471   25.512   0.0000   0.0000  622.471   25.512  ?   ?   479.712   9.8418      ?      ? 
1 1 1    0   17   24 o  392.936   9.1312  417.593   19.388   0.0000   0.0000  417.593   19.388  ?   ?   392.936   9.1312      ?      ? 
1 1 1    0   17   25 o  1170.93   14.258  3710.41   89.943  3549.65  121.631  3904.40  133.607  1143.20   19.690  1198.66   20.627 -55.45935 28.51615 
1 1 1    0   17   26 o  510.779   7.3316  705.942   20.236  702.153   28.637  709.720   28.598  509.408   10.403  512.151   10.334 -2.742767 14.66325 
1 1 1    0   17   27 o  776.669   13.902  1634.33   58.346   0.0000   0.0000  1634.33   58.346  ?   ?   776.669   13.902      ?      ? 
1 1 1    0   17   28 o  506.801   7.2881  694.869   19.954  676.951   27.863  713.735   28.590  500.097   10.311  513.505   10.303 -13.40814 14.57628 
1 1 1    0   17   29 o  497.499   8.9253  664.237   22.403  653.040   27.081  688.513   39.877  491.169   10.203  503.830   14.647 -12.66040 17.85052 
1 1 1    0   17   30 o  807.488   20.528  1775.90   89.570   0.0000   0.0000  1775.90   89.570  ?   ?   807.488   20.528      ?      ? 
1 1 1    0   17   31 o  241.401   7.9831  154.549   9.7059  167.162   17.502  148.947   11.664  248.241   13.048  234.561   9.2022 13.68019 15.96627 
1 1 1    0   17   32 o  664.327   8.7092  1197.13   31.263  1183.53   44.108  1210.86   44.319  660.526   12.358  668.127   12.276 -7.601074 17.41839 
1 1 1    0   17   33 o  409.831   9.1184  454.859   20.194   0.0000   0.0000  454.859   20.194  ?   ?   409.831   9.1184      ?      ? 
1 1 1    0   17   34 o  100.176   12.352   27.184   6.4605   34.795   9.9339   21.606   8.5048  113.019   16.266   87.333   18.592 25.68578 24.70329 
1 1 1    0   17   35 f  473.512   8.6579  603.864   20.433  622.748   37.141  595.667   24.469  478.286   14.371  468.738   9.6604 9.547516 17.31573 
1 1 1    0   17   36 o  215.458   9.3714  124.970   10.487  131.284   17.624  121.509   13.048  219.423   14.864  211.493   11.417 7.929703 18.74286 
1 1 1    0   17   37 o  205.077   9.4218  113.770   9.9744  117.252   16.918  111.914   12.349  207.227   15.108  202.928   11.262 4.299194 18.84361 
1 1 1    0   17   38 o  131.453   12.375   43.990   8.4600   64.797   14.303   32.793   10.492  153.653   17.226  109.254   17.772 44.39993 24.75066 
1 1 1    0   17   39 o  249.018   8.5281  168.307   11.476   0.0000   0.0000  168.307   11.476  ?   ?   249.018   8.5281      ?      ? 
1 1 1    0   17   40 o  433.976   9.1677  511.609   21.499   0.0000   0.0000  511.609   21.499  ?   ?   433.976   9.1677      ?      ? 
1 1 1    0   17   41 o  528.912   7.4018  761.826   21.152  744.671   29.783  779.284   30.045  522.875   10.541  534.948   10.394 -12.07324 14.80352 
1 1 1    0   17   42 o  406.615   6.4996  448.072   14.250  413.706   19.469  487.732   20.914  389.875   9.2411  423.355   9.1422 -33.47922 12.99917 
1 1 1    0   17   43 o  218.400   6.5143  130.221   7.6220  127.452   11.490  132.395   10.185  216.200   9.8353  220.600   8.5445 -4.399414 13.02853 
1 1 1    0   17   44 o  340.606   8.3345  315.678   15.340   0.0000   0.0000  315.678   15.340  ?   ?   340.606   8.3345      ?      ? 
1 1 1    0   17   45 o   64.444   13.901   11.947   5.6262   5.5829   8.7691   16.399   7.3349   53.875   20.960   75.013   18.266 -21.13795 27.80213 
1 1 1    0   17   46 o  397.258   6.4205  431.186   13.759  430.173   20.033  432.090   18.931  396.687   9.3456  397.829   8.8063 -1.142517 12.84094 
1 1 1    0   17   47 o  147.430   8.1787   61.051   6.3550   53.195   9.7316   66.893   8.3914  138.628   12.991  156.231   9.9398 -17.60379 16.35747 
1 1 1    0   17   48 o  158.609   7.8967   69.766   6.6427   67.072   10.322   71.671   8.6785  155.650   12.273  161.568   9.9403 -5.918259 15.79344 
1 1 1    0   17   49 f   81.478   13.399   19.535   5.7127   21.500   8.9726   18.196   7.4082   84.600   19.951   78.357   17.890 6.242714 26.79750 
1 1 1    0   17   50 o   40.360   12.641  -2.0968   5.5946  -7.3128   8.8854   1.3294   7.2014   37.733   17.625   42.986   18.127 -5.253334 25.28293 
1 1 1    0   17   51 o   54.780   15.883   2.3486   7.3051  -2.2799   8.9254   11.741   12.714   42.563   19.011   66.996   25.449 -24.43336 31.76594 
1 1 1    0   17   52 o  171.983   11.401   84.715   10.567   76.644   14.640   93.491   15.266  163.141   16.607  180.824   15.624 -17.68285 22.80127 
1 1 1    0   17   53 o   78.606   18.213   19.524   9.2832   26.419   13.057   12.475   13.201   89.690   25.650   67.522   25.864 22.16752 36.42576 
1 1 1    0   17   54 o  202.303   9.0397  118.669   8.7910  109.144   16.351  122.541   10.426  194.211   15.581  210.395   9.1704 -16.18362 18.07938 
1 1 1    0   17   55 o   39.712   13.140  -5.7246   6.5272 -16.1059   13.180  -2.3508   7.5134   41.076   19.816   38.348   17.261 2.728226 26.27917 
1 1 1    0   17   56 o   92.826   14.639   27.364   7.1502   28.870   10.401   26.014   9.8458   95.248   20.791   90.403   20.612 4.845139 29.27715 
1 1 1    0   17   57 o  366.871   7.6480  380.285   14.904  386.769   19.498  371.171   23.117  372.101   9.6973  361.640   11.829 10.46124 15.29607 
1 1 1    0   17   58 o   93.241   13.874   28.511   6.8316   23.830   10.307   32.179   9.1235   83.376   22.400  103.107   16.375 -19.73115 27.74714 
1 1 1    0   17   59 o   63.710   22.945   12.997   10.090   12.997   10.090   0.0000   0.0000   63.710   22.945  ?   ?       ?      ? 
1 1 1    0   17   60 o  100.368   13.719   32.673   7.1570   31.927   10.434   33.335   9.8356   98.494   20.280  102.241   18.483 -3.747383 27.43888 
1 1 1    0   17   61 o   98.770   13.462   34.991   6.8641   21.021   10.225   46.451   9.2611   74.009   23.073  123.531   13.874 -49.52232 26.92328 
1 1 1    0   17   62 o   56.634   14.956   9.6084   7.0963  -1.3574   10.780   17.995   9.4272   43.619   20.033   69.649   22.214 -26.02985 29.91292 
1 1 1    0   18    1 o  1124.67   13.670  3422.78   83.079   0.0000   0.0000  3422.78   83.079  ?   ?   1124.67   13.670      ?      ? 
1 1 1    0   18    2 o  200.798   6.4127  108.975   6.9580   0.0000   0.0000  108.975   6.9580  ?   ?   200.798   6.4127      ?      ? 
1 1 1    0   18    3 o  478.757   6.8918  619.527   17.829   0.0000   0.0000  619.527   17.829  ?   ?   478.757   6.8918      ?      ? 
1 1 1    0   18    4 o  380.813   6.8407  391.161   12.366  394.144   24.243  390.113   14.376  381.720   11.753  379.906   7.0030 1.814484 13.68144 
1 1 1    0   18    5 o  548.866   8.3726  830.619   22.214  779.505   41.544  851.084   26.287  536.661   14.326  561.071   8.6703 -24.40991 16.74519 
1 1 1    0   18    7 o  442.047   6.6116  527.705   15.776  541.607   22.956  515.263   21.716  447.552   9.4922  436.542   9.2061 11.01038 13.22326 
1 1 1    0   18    8 o  562.020   7.6572  854.199   23.250  858.984   33.238  849.614   32.536  563.557   10.914  560.484   10.743 3.072937 15.31435 
1 1 1    0   18    9 o  850.874   10.609  1959.92   48.779  1963.26   69.226  1956.63   68.744  851.589   15.044  850.159   14.964 1.430298 21.21859 
1 1 1    0   18   10 o  1749.89   20.979  8336.21  198.348  8266.19  278.015  8408.80  283.066  1742.47   29.527  1757.31   29.809 -14.83862 41.95747 
1 1 1    0   18   13 o  169.708   7.7379   77.835   7.0930   80.377   10.207   75.460   9.8637  172.386   10.958  167.031   10.928 5.355026 15.47577 
1 1 1    0   18   14 o  681.064   8.8037  1254.47   32.391  1230.96   45.162  1279.38   46.481  674.500   12.391  687.627   12.509 -13.12714 17.60738 
1 1 1    0   18   17 o  689.115   12.568  1285.34   46.801   0.0000   0.0000  1285.34   46.801  ?   ?   689.115   12.568      ?      ? 
1 1 1    0   18   18 o  211.762   6.9508  120.915   7.9391  127.665   11.669  115.098   10.833  217.244   9.9402  206.280   9.7185 10.96390 13.90167 
1 1 1    0   18   19 o  113.203   11.226   35.693   6.5270   26.744   9.1882   44.809   9.2736   97.763   18.058  128.643   13.341 -30.87998 22.45140 
1 1 1    0   18   20 o  688.314   12.706  1282.52   47.260   0.0000   0.0000  1282.52   47.260  ?   ?   688.314   12.706      ?      ? 
1 1 1    0   18   21 o  320.418   6.4139  277.742   11.102  272.046   15.764  283.347   15.639  317.153   9.1981  323.683   8.9413 -6.529602 12.82780 
1 1 1    0   18   22 o  225.756   7.1224  137.883   8.6881  135.682   12.253  140.109   12.321  223.943   10.126  227.570   10.019 -3.627518 14.24475 
1 1 1    0   18   23 f   61.905   15.561   7.7558   7.0553   0.2900   10.258   14.457   9.7189   50.856   21.551   72.953   22.454 -22.09700 31.12284 
1 1 1    0   18   24 o  281.119   9.4007  213.779   14.280   0.0000   0.0000  213.779   14.280  ?   ?   281.119   9.4007      ?      ? 
1 1 1    0   18   25 o  523.598   7.4679  741.862   21.128  731.006   29.680  753.015   30.083  519.715   10.568  527.482   10.554 -7.766968 14.93583 
1 1 1    0   18   26 o   88.626   15.342   22.268   7.3038   24.424   10.291   20.080   10.368   92.899   20.995   84.353   22.377 8.545769 30.68419 
1 1 1    0   18   27 o  372.359   6.5513  374.211   13.164  355.551   18.061  395.362   19.228  362.484   9.2205  382.234   9.3092 -19.75003 13.10264 
1 1 1    0   18   28 o  720.357   18.677  1411.49   72.701   0.0000   0.0000  1411.49   72.701  ?   ?   720.357   18.677      ?      ? 
1 1 1    0   18   29 o  591.711   16.184  951.802   51.747   0.0000   0.0000  951.802   51.747  ?   ?   591.711   16.184      ?      ? 
1 1 1    0   18   30 o  688.852   11.119  1255.66   37.666  1374.32   71.047  1209.27   44.422  710.020   18.518  667.685   12.312 42.33527 22.23731 
1 1 1    0   18   31 o  471.625   8.6006  593.354   20.220  629.505   36.995  577.955   24.145  481.342   14.223  461.907   9.6736 19.43536 17.20120 
1 1 1    0   18   32 o  548.534   7.6244  815.423   22.594  794.354   31.556  837.584   32.364  541.266   10.789  555.802   10.776 -14.53589 15.24875 
1 1 1    0   18   33 o  738.448   11.629  1504.39   44.402  1426.80   73.425  1549.13   55.752  722.183   18.815  754.713   13.671 -32.53033 23.25716 
1 1 1    0   18   34 o  420.893   9.3562  481.826   21.239  442.342   29.652  523.423   30.435  403.107   13.613  438.679   12.839 -35.57217 18.71237 
1 1 1    0   18   35 o  425.710   9.3965  494.366   21.540  482.432   31.595  504.730   29.443  420.745   13.896  430.674   12.652 -9.929382 18.79301 
1 1 1    0   18   36 o  204.546   7.9035  112.039   8.6660  100.072   11.416  128.311   13.312  191.870   11.011  217.222   11.341 -25.35181 15.80700 
1 1 1    0   18   37 o  384.078   6.3722  400.588   13.216  382.596   18.637  418.792   18.746  375.363   9.1881  392.792   8.8318 -17.42926 12.74447 
1 1 1    0   18   38 o  330.062   6.2162  296.033   11.078  286.901   15.817  304.826   15.520  325.021   9.0058  335.102   8.5710 -10.08127 12.43245 
1 1 1    0   18   39 o  190.608   7.1826   99.022   7.2844   97.820   11.299   99.877   9.5293  189.497   11.034  191.718   9.1984 -2.220718 14.36526 
1 1 1    0   18   40 o  120.105   9.6406   39.139   6.1911   42.290   9.6074   36.901   8.0963  124.107   14.326  116.104   12.905 8.002861 19.28129 
1 1 1    0   18   41 o  263.929   6.2172  190.271   8.8282  179.007   12.848  200.347   12.151  256.396   9.2735  271.462   8.2835 -15.06616 12.43439 
1 1 1    0   18   42 o  270.273   6.2989  199.606   9.1542  190.340   13.438  207.629   12.504  264.279   9.4101  276.268   8.3760 -11.98837 12.59787 
1 1 1    0   18   43 o  180.837   7.3784   88.766   7.1421   93.732   10.994   85.141   9.3946  185.068   10.993  176.605   9.8443 8.462524 14.75684 
1 1 1    0   18   44 o   82.181   13.228   18.849   5.7219   26.237   9.0738   13.973   7.3725   95.129   18.317   69.234   19.090 25.89478 26.45584 
1 1 1    0   18   45 o  273.460   6.2458  205.175   9.1698  194.161   13.536  214.516   12.466  266.452   9.4015  280.467   8.2252 -14.01584 12.49168 
1 1 1    0   18   46 o  142.503   8.3865   56.530   6.3017   53.474   9.9120   58.603   8.1640  138.891   13.207  146.116   10.340 -7.225113 16.77307 
1 1 1    0   18   47 o  291.375   6.1192  232.525   9.5868  230.231   14.245  234.423   12.962  289.868   9.0941  292.882   8.1900 -3.013580 12.23839 
1 1 1    0   18   48 o  174.523   7.4734   85.254   6.9116   76.214   10.508   92.147   9.1757  165.835   11.726  183.212   9.2683 -17.37619 14.94676 
1 1 1    0   18   49 o   54.771   14.493   6.6151   5.8073   10.660   8.9816   3.7093   7.6127   61.941   21.714   47.600   19.201 14.34165 28.98540 
1 1 1    0   18   50 o   54.608   16.490   2.4841   8.5997   1.5230   11.831   3.5608   12.522   52.883   22.793   56.333   23.837 -3.450424 32.98083 
1 1 1    0   18   51 o  159.060   11.916   73.153   10.231   75.631   14.341   70.586   14.600  162.093   16.373  156.026   17.317 6.066956 23.83178 
1 1 1    0   18   52 o   90.383   18.740   26.673   9.7038   22.950   12.845   31.622   14.811   83.692   25.823   97.074   27.165 -13.38201 37.48016 
1 1 1    0   18   53 o   96.561   13.139   29.774   6.3997   22.057   10.274   34.667   8.1808   82.877   22.405  110.244   13.732 -27.36715 26.27827 
1 1 1    0   18   54 o   79.346   14.190   20.417   6.1959   14.845   9.6314   24.351   8.0927   68.865   22.497   89.828   17.300 -20.96310 28.37928 
1 1 1    0   18   55 o   79.973   14.901   23.840   7.2006   5.4504   14.996   29.350   8.2088   59.588   25.672  100.357   15.137 -40.76888 29.80246 
1 1 1    0   18   56 f   90.516   16.468   21.507   7.3994   44.212   15.207   14.463   8.4697  113.870   25.364   67.162   21.010 46.70858 32.93546 
1 1 1    0   18   57 o   66.070   15.541   13.774   7.2992   22.802   10.110   3.9459   10.549   81.577   22.298   50.564   21.652 31.01325 31.08103 
1 1 1    0   18   58 o   72.958   15.902   17.821   6.8655   19.509   10.252   16.449   9.2443   75.663   23.021   70.254   21.945 5.408585 31.80467 
1 1 1    0   18   59 o   43.561   13.729  -0.6550   6.7009  -5.3532   10.045   3.1126   8.9950   40.244   18.778   46.878   20.032 -6.633911 27.45705 
1 1 1    0   18   60 o  115.435   12.223   44.119   7.1434   36.672   10.831   49.852   9.5034  102.749   20.227  128.121   13.727 -25.37151 24.44504 
1 1 1    0   18   61 f   71.069   15.855   18.932   6.8461   17.260   10.401   20.211   9.0940   67.439   23.382   74.700   21.420 -7.260986 31.70991 
1 1 1    0   19    1 o  626.575   11.468  1061.96   38.829   0.0000   0.0000  1061.96   38.829  ?   ?   626.575   11.468      ?      ? 
1 1 1    0   19    2 o  1111.36   13.541  3342.51   81.318   0.0000   0.0000  3342.51   81.318  ?   ?   1111.36   13.541      ?      ? 
1 1 1    0   19    3 f  1000.24   12.274  2706.77   66.341   0.0000   0.0000  2706.77   66.341  ?   ?   1000.24   12.274      ?      ? 
1 1 1    0   19    4 o  654.481   11.880  1158.77   42.014   0.0000   0.0000  1158.77   42.014  ?   ?   654.481   11.880      ?      ? 
1 1 1    0   19    5 o  491.126   8.2846  660.425   21.122  622.973   34.595  682.683   26.670  479.801   13.344  502.451   9.8230 -22.65015 16.56926 
1 1 1    0   19    6 f  296.934   7.1069  231.076   10.880  262.613   18.894  215.432   13.307  311.590   11.221  282.279   8.7241 29.31122 14.21372 
1 1 1    0   19    8 o  471.717   7.0115  601.783   17.871  593.255   25.273  610.311   25.274  468.372   9.9856  475.063   9.8454 -6.691284 14.02297 
1 1 1    0   19    9 o  183.984   7.2671   91.531   7.2213   90.981   10.042   92.120   10.392  183.414   10.132  184.553   10.420 -1.139099 14.53415 
1 1 1    0   19   10 o  456.046   6.8571  562.411   16.897  554.391   23.804  570.556   23.990  452.768   9.7295  459.324   9.6653 -6.556396 13.71424 
1 1 1    0   19   14 o  705.242   9.1467  1343.04   34.801  1287.74   47.594  1406.57   51.016  689.700   12.770  720.783   13.098 -31.08295 18.29348 
1 1 1    0   19   15 o  586.141   7.9970  927.996   25.302  893.426   34.818  966.683   36.833  574.603   11.214  597.680   11.405 -23.07764 15.99401 
1 1 1    0   19   16 o  153.926   8.9662   64.085   7.4443   64.990   10.893   63.293   10.197  154.937   13.011  152.916   12.340 2.020248 17.93234 
1 1 1    0   19   17 f  1285.39   15.580  4478.06  107.993  4318.20  147.127  4664.80  159.016  1260.72   21.597  1310.05   22.463 -49.32361 31.16077 
1 1 1    0   19   18 o  410.967   9.4891  456.832   21.073   0.0000   0.0000  456.832   21.073  ?   ?   410.967   9.4891      ?      ? 
1 1 1    0   19   19 o  522.916   7.5071  739.958   21.211  729.124   30.018  750.761   29.975  519.087   10.702  526.745   10.531 -7.658447 15.01428 
1 1 1    0   19   21 o  1023.83   12.617  2840.92   69.738  2766.44   96.144  2923.61  101.308  1009.74   17.621  1037.92   18.063 -28.17572 25.23427 
1 1 1    0   19   22 o   80.564   16.555   18.023   7.6619   16.129   10.956   19.837   10.719   77.096   23.859   84.031   22.956 -6.934944 33.10907 
1 1 1    0   19   23 o  189.769   8.0547   97.421   8.2538   92.394   11.498  102.766   11.855  184.717   11.519  194.820   11.262 -10.10208 16.10945 
1 1 1    0   19   24 o  358.177   6.6856  347.497   12.927  337.925   18.534  356.564   18.039  353.354   9.7067  363.000   9.1962 -9.646301 13.37120 
1 1 1    0   19   25 o  119.922   15.819   39.033   10.251   0.0000   0.0000   39.033   10.251  ?   ?   119.922   15.819      ?      ? 
1 1 1    0   19   27 o  557.004   15.556  843.243   46.823   0.0000   0.0000  843.243   46.823  ?   ?   557.004   15.556      ?      ? 
1 1 1    0   19   28 o  166.780   10.996   74.371   9.3464   71.953   11.368   79.414   16.418  162.831   12.920  170.729   17.796 -7.897629 21.99174 
1 1 1    0   19   29 o  697.419   11.070  1332.59   39.672  1292.12   66.921  1354.52   49.260  688.434   17.989  706.404   12.905 -17.96912 22.13935 
1 1 1    0   19   30 o  363.881   9.0023  358.635   17.701   0.0000   0.0000  358.635   17.701  ?   ?   363.881   9.0023      ?      ? 
1 1 1    0   19   31 o  599.820   11.564  969.800   37.240  880.631   49.381  1087.39   56.706  568.317   16.080  631.322   16.622 -63.00500 23.12719 
1 1 1    0   19   32 o  314.409   9.5017  271.870   15.964  242.342   23.525  297.072   21.734  298.213   14.599  330.605   12.166 -32.39188 19.00338 
1 1 1    0   19   33 o  141.161   14.100   52.301   10.203   74.347   16.734   39.257   12.872  164.599   18.814  117.723   21.006 46.87641 28.19966 
1 1 1    0   19   34 o  447.521   6.8699  543.516   16.609  525.940   23.325  561.593   23.655  440.164   9.8066  454.879   9.6236 -14.71423 13.73981 
1 1 1    0   19   35 o  445.388   6.8323  538.593   16.436  516.139   23.008  561.992   23.487  435.886   9.7684  454.889   9.5552 -19.00284 13.66463 
1 1 1    0   19   36 o  282.081   6.4329  215.266   9.7653  225.188   14.607  207.246   13.131  287.886   9.3894  276.275   8.7959 11.61163 12.86582 
1 1 1    0   19   37 o  193.384   7.4299  102.937   7.6682   91.798   11.365  112.245   10.389  183.539   11.459  203.229   9.4606 -19.69038 14.85983 
1 1 1    0   19   38 o  139.484   8.7234   52.924   6.5408   55.421   9.8501   50.954   8.7478  142.354   12.805  136.615   11.850 5.738907 17.44684 
1 1 1    0   19   39 o  298.905   6.2373  242.725   10.049  247.101   14.801  238.983   13.687  301.339   9.0898  296.471   8.5434 4.868134 12.47459 
1 1 1    0   19   40 o  141.167   8.8908   55.874   6.5977   48.126   10.140   61.563   8.6882  132.202   14.195  150.132   10.709 -17.92987 17.78158 
1 1 1    0   19   41 o  331.593   6.2909  299.833   11.235  294.726   16.494  304.253   15.346  328.838   9.2822  334.348   8.4938 -5.509247 12.58190 
1 1 1    0   19   42 o   71.388   14.636   14.143   5.9494   18.888   9.3802   10.949   7.6952   80.124   21.299   62.652   20.079 17.47248 29.27120 
1 1 1    0   19   43 o  161.066   7.8325   70.027   6.7246   78.444   10.611   64.378   8.6931  168.886   11.627  153.246   10.498 15.64011 15.66506 
1 1 1    0   19   44 o  195.877   6.9453  104.754   7.2759  107.381   11.173  102.820   9.5872  197.827   10.452  193.928   9.1488 3.899414 13.89051 
1 1 1    0   19   45 o  109.222   11.391   35.660   6.1827   25.082   9.2966   44.049   8.2790   92.201   19.280  126.243   12.136 -34.04150 22.78140 
1 1 1    0   19   46 o  173.162   7.5904   82.520   7.0383   83.987   10.734   81.413   9.3220  174.286   11.398  172.038   10.028 2.247330 15.18084 
1 1 1    0   19   47 o  159.029   10.242   69.702   8.8017   0.0000   0.0000   69.702   8.8017  ?   ?   159.029   10.242      ?      ? 
1 1 1    0   19   48 o  202.430   9.3705  115.404   9.7140  116.502   12.016  113.333   16.502  205.053   10.845  199.808   15.284 5.245178 18.74093 
1 1 1    0   19   49 o  146.928   13.232   63.326   10.380   66.059   13.886   59.865   15.626  151.506   16.961  142.349   20.314 9.156631 26.46410 
1 1 1    0   19   50 o   58.686   17.427   4.2956   9.3062   0.4917   12.210   9.5676   14.375   52.107   22.798   65.265   26.364 -13.15832 34.85406 
1 1 1    0   19   51 o   52.958   15.259   5.3499   6.6463   1.4133   12.238   6.9966   7.9152   52.755   22.958   53.160   20.107 -0.4053307 30.51835 
1 1 1    0   19   52 o  140.186   9.1717   57.487   6.7010   45.749   10.146   66.568   8.9243  126.020   14.900  154.352   10.700 -28.33183 18.34342 
1 1 1    0   19   53 o  151.202   8.6366   64.819   6.9608   62.744   10.644   66.371   9.2011  148.492   13.265  153.911   11.063 -5.419296 17.27313 
1 1 1    0   19   54 o   94.669   13.412   27.674   6.5136   29.157   10.309   26.689   8.4034   95.763   20.539   93.576   17.255 2.186417 26.82466 
1 1 1    0   19   55 o  126.437   10.246   45.276   6.8967   55.063   10.950   38.840   8.8791  137.268   14.762  115.605   14.214 21.66330 20.49275 
1 1 1    0   19   56 o   85.840   16.980   26.622   7.7683   23.761   15.606   27.564   8.9568   78.616   28.503   93.064   18.463 -14.44796 33.96005 
1 1 1    0   19   57 o  160.369   13.568   74.720   11.758   74.720   11.758   0.0000   0.0000  160.369   13.568  ?   ?       ?      ? 
1 1 1    0   19   58 o   63.737   15.103   10.299   7.3398  -2.2897   9.8983   25.676   10.940   42.424   19.377   85.051   23.173 -42.62720 30.20687 
1 1 1    0   19   59 o   57.905   15.107   11.066   6.7417   4.1305   9.8387   17.205   9.2562   47.674   20.666   68.136   22.041 -20.46169 30.21375 
1 1 1    0   19   60 o   61.127   15.367   13.424   6.8332   6.9645   10.452   18.245   9.0302   51.745   21.831   70.509   21.634 -18.76418 30.73478 
1 1 1    0   20    1 o  307.998   6.5039  256.418   10.825   0.0000   0.0000  256.418   10.825  ?   ?   307.998   6.5039      ?      ? 
1 1 1    0   20    2 o  131.291   9.5002   46.617   6.7399   0.0000   0.0000   46.617   6.7399  ?   ?   131.291   9.5002      ?      ? 
1 1 1    0   20    3 o   78.688   16.512   17.409   6.7972   0.0000   0.0000   17.409   6.7972  ?   ?    78.688   16.512      ?      ? 
1 1 1    0   20    4 f  144.003   8.7660   56.075   6.8212   0.0000   0.0000   56.075   6.8212  ?   ?   144.003   8.7660      ?      ? 
1 1 1    0   20    5 f  688.425   10.245  1276.70   32.935  1297.07   66.316  1270.03   37.946  691.645   17.744  685.205   10.248 6.440125 20.49071 
1 1 1    0   20    6 o  403.872   7.6310  447.512   16.020  417.568   26.076  465.668   20.304  392.786   12.285  414.957   9.0551 -22.17111 15.26201 
1 1 1    0   20    7 o  326.577   6.5290  288.440   11.521  289.325   16.374  287.572   16.215  327.073   9.2644  326.082   9.2024 0.9903564 13.05807 
1 1 1    0   20    8 o  321.130   9.1964  278.909   15.958   0.0000   0.0000  278.909   15.958  ?   ?   321.130   9.1964      ?      ? 
1 1 1    0   20   16 o  312.210   9.4827  263.685   15.998   0.0000   0.0000  263.685   15.998  ?   ?   312.210   9.4827      ?      ? 
1 1 1    0   20   17 o  122.847   11.924   41.304   7.8377   46.774   10.914   35.478   11.263  131.363   15.375  114.331   18.231 17.03233 23.84841 
1 1 1    0   20   18 o  334.263   9.5171  302.260   17.190   0.0000   0.0000  302.260   17.190  ?   ?   334.263   9.5171      ?      ? 
1 1 1    0   20   19 o  395.293   9.5765  422.761   20.456   0.0000   0.0000  422.761   20.456  ?   ?   395.293   9.5765      ?      ? 
1 1 1    0   20   20 o  236.053   10.308  150.822   13.148   0.0000   0.0000  150.822   13.148  ?   ?   236.053   10.308      ?      ? 
1 1 1    0   20   22 o  286.952   7.0046  222.662   10.845  226.454   15.836  219.313   14.882  289.239   10.132  284.665   9.6747 4.574036 14.00919 
1 1 1    0   20   23 o  525.873   10.586  748.827   30.080   0.0000   0.0000  748.827   30.080  ?   ?   525.873   10.586      ?      ? 
1 1 1    0   20   24 f  571.223   11.163  884.156   34.457   0.0000   0.0000  884.156   34.457  ?   ?   571.223   11.163      ?      ? 
1 1 1    0   20   25 o  555.656   10.910  836.775   32.757   0.0000   0.0000  836.775   32.757  ?   ?   555.656   10.910      ?      ? 
1 1 1    0   20   26 o  812.393   14.583  1793.43   64.016   0.0000   0.0000  1793.43   64.016  ?   ?   812.393   14.583      ?      ? 
1 1 1    0   20   27 o  305.038   9.9763  254.232   16.344  225.676   23.378  281.531   22.858  288.076   15.018  322.001   13.137 -33.92532 19.95259 
1 1 1    0   20   28 o  554.568   15.352  837.162   46.005   0.0000   0.0000  837.162   46.005  ?   ?   554.568   15.352      ?      ? 
1 1 1    0   20   29 o  552.339   15.271  831.306   45.578   0.0000   0.0000  831.306   45.578  ?   ?   552.339   15.271      ?      ? 
1 1 1    0   20   30 o  211.316   11.269  124.678   12.432  109.707   19.629  134.707   16.065  200.158   18.148  222.475   13.364 -22.31682 22.53767 
1 1 1    0   20   31 o  295.983   6.8772  237.990   10.966  215.447   15.425  261.031   15.594  281.740   10.132  310.227   9.3025 -28.48682 13.75447 
1 1 1    0   20   32 o  770.463   13.927  1619.21   57.984   0.0000   0.0000  1619.21   57.984  ?   ?   770.463   13.927      ?      ? 
1 1 1    0   20   33 o  190.156   7.7344   98.946   7.8919   92.104   11.611  104.820   10.759  183.919   11.683  196.393   10.138 -12.47369 15.46880 
1 1 1    0   20   34 o  550.243   10.744  824.057   31.945   0.0000   0.0000  824.057   31.945  ?   ?   550.243   10.744      ?      ? 
1 1 1    0   20   35 o  231.991   6.7737  146.717   8.4582  140.275   12.354  152.402   11.605  227.111   10.066  236.871   9.0663 -9.760162 13.54738 
1 1 1    0   20   36 o  181.134   7.7056   90.996   7.3968   73.109   10.709  107.315   10.229  163.626   12.112  198.642   9.5293 -35.01607 15.41119 
1 1 1    0   20   37 o   90.296   13.607   24.113   6.6138   14.388   9.6383   32.767   9.0923   71.555   22.417  109.038   15.431 -37.48290 27.21479 
1 1 1    0   20   38 o  238.585   6.5860  154.322   8.4325  160.998   12.804  149.207   11.206  243.030   9.7495  234.141   8.8571 8.888824 13.17195 
1 1 1    0   20   39 o  153.813   10.847   64.669   9.0154   0.0000   0.0000   64.669   9.0154  ?   ?   153.813   10.847      ?      ? 
1 1 1    0   20   40 o  164.868   7.9271   75.905   6.9157   64.296   10.341   85.298   9.3015  152.965   12.511  176.770   9.7377 -23.80492 15.85410 
1 1 1    0   20   41 f  168.143   8.0570   78.706   7.2131   68.777   10.688   87.013   9.7751  157.987   12.519  178.298   10.146 -20.31143 16.11402 
1 1 1    0   20   42 o  177.823   7.6707   87.846   7.2305   80.803   11.100   93.036   9.5295  171.242   11.996  184.404   9.5633 -13.16255 15.34142 
1 1 1    0   20   43 o  214.743   6.8870  127.877   7.8787  114.583   11.777  138.648   10.600  204.218   10.672  225.268   8.7081 -21.04988 13.77404 
1 1 1    0   20   44 o  199.106   7.0766  108.745   7.5419  110.127   11.509  107.706   9.9843  199.994   10.650  198.218   9.3215 1.776520 14.15317 
1 1 1    0   20   45 o   90.565   12.853   23.573   6.0205   29.634   9.3780   19.324   7.8522  100.516   17.923   80.615   18.427 19.90026 25.70619 
1 1 1    0   20   46 o  182.463   10.022   92.968   9.4985   91.337   11.865   95.878   15.851  181.204   12.117  183.722   15.966 -2.517761 20.04374 
1 1 1    0   20   47 o   70.593   17.899   13.541   9.4396   21.619   12.459   2.6554   14.463   82.686   25.419   58.500   25.207 24.18548 35.79861 
1 1 1    0   20   48 o  122.882   14.980   45.837   9.5843   47.658   12.773   43.491   14.499  127.799   18.496  117.966   23.569 9.832954 29.96045 
1 1 1    0   20   49 o  158.589   9.9961   74.371   7.8271   63.401   13.603   79.800   9.5699  147.708   17.043  169.469   10.450 -21.76161 19.99222 
1 1 1    0   20   50 o  109.589   12.506   39.509   6.5241   22.192   10.159   51.662   8.5109   83.465   22.156  135.713   11.606 -52.24818 25.01153 
1 1 1    0   20   51 o  163.045   8.3844   75.507   7.2031   71.495   11.335   78.226   9.3290  158.574   13.228  167.516   10.306 -8.941574 16.76887 
1 1 1    0   20   52 o  148.661   8.8098   60.967   6.9672   72.421   11.113   53.550   8.9429  159.621   12.884  137.701   12.019 21.92053 17.61965 
1 1 1    0   20   53 o   80.945   14.882   20.511   6.5084   25.714   10.272   17.022   8.4125   89.036   21.576   72.853   20.503 16.18263 29.76454 
1 1 1    0   20   54 o   52.149   14.409   5.5843   6.5711  -4.1961   10.438   12.005   8.4572   42.637   19.631   61.661   21.099 -19.02360 28.81889 
1 1 1    0   20   55 o   63.336   14.553   12.405   6.7571   0.4985   10.349   21.254   8.9212   46.534   20.647   80.138   20.514 -33.60350 29.10566 
1 1 1    0   20   56 o  107.155   13.771   38.728   7.3998   23.749   11.221   50.255   9.8434   82.967   23.794  131.343   13.869 -48.37588 27.54118 
1 1 1    0   20   57 o   48.357   15.523   0.5348   7.7232   4.7432   15.256  -0.9153   8.9555   55.238   24.751   41.476   18.741 13.76166 31.04532 
1 1 1    0   20   58 o   54.925   15.823   7.8759   7.5455   2.5396   10.059   14.741   11.410   46.539   20.517   63.312   24.094 -16.77265 31.64572 
1 1 1    0   20   59 o   60.350   16.511   13.273   7.5871   11.932   9.9750   15.115   11.687   58.032   22.416   62.667   24.248 -4.635250 33.02175 
1 1 1    0   21    1 o  706.677   9.2649  1350.65   35.379   0.0000   0.0000  1350.65   35.379  ?   ?   706.677   9.2649      ?      ? 
1 1 1    0   21    2 o  117.041   12.292   37.078   7.7742   0.0000   0.0000   37.078   7.7742  ?   ?   117.041   12.292      ?      ? 
1 1 1    0   21    3 o  162.391   9.5140   71.327   8.3486   0.0000   0.0000   71.327   8.3486  ?   ?   162.391   9.5140      ?      ? 
1 1 1    0   21    4 o  226.505   7.5163  138.710   9.1996   0.0000   0.0000  138.710   9.1996  ?   ?   226.505   7.5163      ?      ? 
1 1 1    0   21    5 o  375.187   8.8283  380.679   17.898   0.0000   0.0000  380.679   17.898  ?   ?   375.187   8.8283      ?      ? 
1 1 1    0   21    6 o  331.169   7.4748  301.341   12.906  278.153   20.790  315.880   16.462  320.578   12.001  341.761   8.9141 -21.18356 14.94958 
1 1 1    0   21    7 o  291.252   7.6387  220.997   11.097  251.577   20.596  208.490   13.172  304.849   12.503  277.655   8.7792 27.19391 15.27734 
1 1 1    0   21   13 o  492.440   7.4923  654.573   19.911  622.845   27.338  690.417   29.058  479.766   10.545  505.114   10.646 -25.34766 14.98452 
1 1 1    0   21   14 o  324.853   6.9643  285.727   12.207  281.202   17.669  289.858   16.884  322.377   10.143  327.328   9.5458 -4.951111 13.92851 
1 1 1    0   21   16 o  165.609   13.249   74.322   11.857   74.322   11.857   0.0000   0.0000  165.609   13.249  ?   ?       ?      ? 
1 1 1    0   21   18 o  158.221   9.7090   68.195   8.2296   78.883   11.685   57.676   11.592  170.622   12.674  145.822   14.712 24.79999 19.41805 
1 1 1    0   21   19 o  276.146   6.9911  206.326   10.428  209.216   14.992  203.617   14.515  278.014   9.9794  274.278   9.7936 3.736298 13.98217 
1 1 1    0   21   20 f  625.808   8.4944  1060.60   28.716  1034.83   39.997  1088.02   41.253  617.972   11.977  633.643   12.048 -15.67133 16.98879 
1 1 1    0   21   21 o  637.521   12.097  1101.94   41.674   0.0000   0.0000  1101.94   41.674  ?   ?   637.521   12.097      ?      ? 
1 1 1    0   21   23 f  206.565   11.109  115.668   12.400   0.0000   0.0000  115.668   12.400  ?   ?   206.565   11.109      ?      ? 
1 1 1    0   21   24 o  282.521   9.4251  216.756   12.709  216.712   24.640  216.772   14.835  282.168   16.160  282.874   9.7053 -0.7055054 18.85026 
1 1 1    0   21   25 o  263.740   11.662  194.869   16.139  157.905   24.334  223.896   21.564  240.462   18.727  287.019   13.904 -46.55736 23.32436 
1 1 1    0   21   26 o  435.296   15.107  515.991   35.535  515.991   35.535   0.0000   0.0000  435.296   15.107  ?   ?       ?      ? 
1 1 1    0   21   27 o  345.836   13.543  325.450   25.310   0.0000   0.0000  325.450   25.310  ?   ?   345.836   13.543      ?      ? 
1 1 1    0   21   28 f  392.570   12.989  419.369   27.553  419.369   27.553   0.0000   0.0000  392.570   12.989  ?   ?       ?      ? 
1 1 1    0   21   29 o  322.246   9.1742  281.653   15.975   0.0000   0.0000  281.653   15.975  ?   ?   322.246   9.1742      ?      ? 
1 1 1    0   21   30 o   59.744   15.648   7.0392   6.9137   11.896   9.9901   2.5751   9.5777   67.684   22.932   51.803   21.295 15.88123 31.29520 
1 1 1    0   21   31 f  164.517   8.6370   73.802   7.6645   73.203   11.151   74.339   10.552  163.838   12.596  165.195   11.821 -1.357071 17.27391 
1 1 1    0   21   32 o  440.441   9.5550  527.191   22.741   0.0000   0.0000  527.191   22.741  ?   ?   440.441   9.5550      ?      ? 
1 1 1    0   21   33 o  242.334   6.9822  161.282   9.0500  142.107   13.209  178.247   12.425  228.488   10.698  256.180   8.9753 -27.69127 13.96440 
1 1 1    0   21   34 o  269.617   8.9989  197.566   13.111   0.0000   0.0000  197.566   13.111  ?   ?   269.617   8.9989      ?      ? 
1 1 1    0   21   35 o  225.469   9.3462  138.356   11.387   0.0000   0.0000  138.356   11.387  ?   ?   225.469   9.3462      ?      ? 
1 1 1    0   21   36 o  259.379   6.6203  183.477   9.2544  179.921   13.515  186.616   12.699  256.925   9.7344  261.833   8.9753 -4.907532 13.24065 
1 1 1    0   21   37 o  190.515   7.6029   98.379   7.7681  105.526   11.881   93.041   10.267  196.420   11.193  184.609   10.292 11.81122 15.20576 
1 1 1    0   21   38 o  206.651   7.3079  118.353   8.0283  104.734   12.037  129.266   10.775  195.539   11.392  217.762   9.1570 -22.22307 14.61572 
1 1 1    0   21   39 o  222.101   6.9039  135.082   8.2561  131.601   12.108  138.106   11.287  219.300   10.218  224.902   9.2872 -5.601929 13.80779 
1 1 1    0   21   40 f  195.074   9.7192  104.135   10.245   0.0000   0.0000  104.135   10.245  ?   ?   195.074   9.7192      ?      ? 
1 1 1    0   21   41 o  304.687   6.3260  254.187   10.394  238.125   14.802  269.811   14.599  295.040   9.2845  314.334   8.5948 -19.29395 12.65198 
1 1 1    0   21   42 o  230.038   9.0240  144.831   11.217   0.0000   0.0000  144.831   11.217  ?   ?   230.038   9.0240      ?      ? 
1 1 1    0   21   43 o  346.826   13.399  335.586   25.111   0.0000   0.0000  335.586   25.111  ?   ?   346.826   13.399      ?      ? 
1 1 1    0   21   44 f   58.655   16.707   2.3975   8.6652  -6.6216   11.377   14.858   13.372   44.543   20.503   72.767   26.384 -28.22316 33.41412 
1 1 1    0   21   45 o   59.658   17.286   5.7288   8.8940   2.6081   11.932   9.6306   13.342   54.370   23.148   64.946   25.677 -10.57573 34.57125 
1 1 1    0   21   46 o   76.678   18.603   17.823   9.6642   23.626   13.108   10.912   14.305   85.934   26.004   67.422   26.609 18.51163 37.20587 
1 1 1    0   21   47 o  219.997   8.3896  140.130   9.3093  120.225   15.648  151.034   11.582  205.974   14.059  234.020   9.1587 -28.04597 16.77928 
1 1 1    0   21   48 o  128.762   10.107   48.485   6.7542   41.793   10.676   52.950   8.7216  120.064   16.455  137.460   11.742 -17.39507 20.21485 
1 1 1    0   21   49 f  169.866   7.9248   81.294   7.1421   78.223   11.076   83.481   9.3445  166.478   12.312  173.255   9.9812 -6.777435 15.84953 
1 1 1    0   21   50 o   64.900   15.599   12.682   6.4495   13.624   10.153   12.045   8.3509   66.753   23.104   63.048   20.965 3.704647 31.19777 
1 1 1    0   21   51 o  217.313   7.1791  133.875   8.2912  117.359   12.365  147.367   11.176  204.166   11.208  230.459   8.9741 -26.29311 14.35817 
1 1 1    0   21   52 f  103.681   12.738   32.931   6.7928   31.579   10.669   33.853   8.8092   99.707   20.487  107.655   15.143 -7.947777 25.47579 
1 1 1    0   21   53 o   73.218   15.653   18.351   6.7252   16.427   10.665   19.622   8.6651   69.360   23.694   77.076   20.463 -7.715805 31.30674 
1 1 1    0   21   54 o   73.210   15.962   17.933   6.9060   20.889   10.514   15.689   9.1589   77.857   23.229   68.564   21.898 9.292542 31.92333 
1 1 1    0   21   55 o   43.333   13.826  -1.7570   6.8879  -4.6507   10.557   0.3879   9.0891   42.367   19.590   44.299   19.517 -1.931602 27.65298 
1 1 1    0   21   56 o   83.653   15.362   25.373   6.9815   25.530   10.484   25.247   9.3581   82.741   22.745   84.565   20.656 -1.823975 30.72471 
1 1 1    0   21   57 o   99.312   15.817   41.437   8.3393   21.428   16.171   48.685   9.7334   71.576   28.278  127.048   14.178 -55.47200 31.63343 
1 1 1    0   21   58 f   96.558   17.277   35.556   8.2403   40.788   16.465   33.807   9.5181   93.095   29.321  100.022   18.284 -6.926529 34.55469 
1 1 1    0   22    0 o  630.188   12.326  1074.11   41.975   0.0000   0.0000  1074.11   41.975  ?   ?   630.188   12.326      ?      ? 
1 1 1    0   22    1 o  641.753   10.247  1114.34   35.535   0.0000   0.0000  1114.34   35.535  ?   ?   641.753   10.247      ?      ? 
1 1 1    0   22    2 o  728.679   11.221  1437.07   44.182   0.0000   0.0000  1437.07   44.182  ?   ?   728.679   11.221      ?      ? 
1 1 1    0   22    3 o  271.550   8.3229  199.421   12.213   0.0000   0.0000  199.421   12.213  ?   ?   271.550   8.3229      ?      ? 
1 1 1    0   22    4 o  155.559   11.871   65.507   9.9784   0.0000   0.0000   65.507   9.9784  ?   ?   155.559   11.871      ?      ? 
1 1 1    0   22    5 o  277.293   9.8413  208.025   14.746   0.0000   0.0000  208.025   14.746  ?   ?   277.293   9.8413      ?      ? 
1 1 1    0   22    6 o  495.722   8.4393  645.887   19.430  703.378   40.100  628.248   22.211  509.478   14.566  481.967   8.5283 27.51141 16.87864 
1 1 1    0   22    7 o  447.942   8.3801  536.007   18.950  563.288   33.806  523.508   22.883  455.991   13.720  439.893   9.6267 16.09830 16.76026 
1 1 1    0   22   10 o  305.505   7.1985  252.457   11.876  256.425   17.164  248.814   16.448  307.799   10.320  303.211   10.038 4.587952 14.39691 
1 1 1    0   22   11 f  411.885   7.1122  459.437   15.818  450.938   22.679  467.488   22.073  408.157   10.283  415.613   9.8283 -7.456146 14.22444 
1 1 1    0   22   12 o  205.967   8.4609  114.732   9.3970  117.606   13.812  112.255   12.822  208.351   12.268  203.583   11.655 4.767899 16.92183 
1 1 1    0   22   16 o  454.692   7.2433  559.675   17.790  564.425   25.570  555.220   24.766  456.549   10.365  452.835   10.121 3.714447 14.48657 
1 1 1    0   22   17 o  137.362   11.316   51.227   8.3777   46.308   11.639   56.517   12.069  130.500   16.505  144.224   15.486 -13.72418 22.63224 
1 1 1    0   22   18 o  207.928   8.2077  117.491   9.1994  109.952   13.157  124.702   12.868  201.356   12.092  214.499   11.102 -13.14359 16.41549 
1 1 1    0   22   19 o  289.697   7.0434  227.384   11.015  214.225   15.487  240.854   15.669  281.196   10.192  298.198   9.7240 -17.00168 14.08675 
1 1 1    0   22   20 o  301.434   9.4483  260.266   13.791  214.797   24.757  280.721   16.606  280.934   16.308  321.933   9.5456 -40.99896 18.89658 
1 1 1    0   22   21 o  401.825   10.389  439.829   22.513  414.865   32.187  463.739   31.500  390.544   15.252  413.106   14.111 -22.56265 20.77826 
1 1 1    0   22   22 o  347.663   10.405  330.577   19.438  300.450   28.071  358.333   26.944  332.210   15.637  363.116   13.732 -30.90588 20.81042 
1 1 1    0   22   23 o  266.333   11.356  198.073   15.923  153.941   23.233  237.162   21.865  237.351   18.114  295.314   13.702 -57.96300 22.71283 
1 1 1    0   22   24 o  119.122   16.703   45.561   9.8870   57.245   12.292   24.144   16.641  144.873   15.701   93.371   29.485 51.50114 33.40529 
1 1 1    0   22   25 o  145.526   14.310   64.088   9.8315   74.652   12.267   45.113   16.440  165.573   13.710  125.479   25.123 40.09460 28.62053 
1 1 1    0   22   26 o  620.635   8.5239  1047.07   28.580  1019.94   39.969  1075.46   40.885  612.404   12.078  628.867   12.031 -16.46332 17.04787 
1 1 1    0   22   27 o  450.959   8.4416  557.802   19.654  537.612   32.768  569.145   24.562  444.053   13.656  457.866   9.9274 -13.81354 16.88323 
1 1 1    0   22   28 o  238.280   9.7790  154.209   12.591   0.0000   0.0000  154.209   12.591  ?   ?   238.280   9.7790      ?      ? 
1 1 1    0   22   29 o   58.289   15.696   6.8317   6.8500   7.0318   9.6001   6.6242   9.7770   58.461   22.136   58.116   22.259 0.3456917 31.39181 
1 1 1    0   22   30 o  211.237   7.4091  121.089   8.4460  128.270   12.325  114.731   11.597  217.122   10.505  205.352   10.451 11.77054 14.81816 
1 1 1    0   22   31 o  371.424   9.1052  374.800   18.275   0.0000   0.0000  374.800   18.275  ?   ?   371.424   9.1052      ?      ? 
1 1 1    0   22   32 o  194.500   7.7358  103.091   8.0769  103.483   12.147  102.782   10.814  194.732   11.544  194.268   10.301 0.4642029 15.47159 
1 1 1    0   22   33 o   43.244   13.742  -4.0769   6.7114  -5.7167   9.9180  -2.6918   9.1154   42.760   19.478   43.728   19.391 -0.9678688 27.48493 
1 1 1    0   22   34 f  204.501   7.5329  114.831   8.2714  101.736   11.831  127.350   11.568  192.887   11.351  216.115   9.9059 -23.22754 15.06583 
1 1 1    0   22   35 f  298.137   6.7006  243.048   10.746  232.855   15.764  251.897   14.687  292.134   9.9862  304.140   8.9368 -12.00647 13.40115 
1 1 1    0   22   36 o  141.872   9.6647   55.465   7.3589   55.452   11.063   55.476   9.8552  141.694   14.449  142.050   12.839 -0.3557587 19.32939 
1 1 1    0   22   37 o  331.773   9.0384  300.355   16.204   0.0000   0.0000  300.355   16.204  ?   ?   331.773   9.0384      ?      ? 
1 1 1    0   22   38 o  314.734   6.5975  271.882   11.173  251.240   16.107  291.028   15.513  302.967   9.8387  326.500   8.7925 -23.53305 13.19504 
1 1 1    0   22   39 o  171.436   8.2708   81.329   7.6136   71.359   10.808   91.151   10.727  160.741   12.443  182.131   10.900 -21.38992 16.54168 
1 1 1    0   22   40 o  245.992   9.5954  165.838   12.755   0.0000   0.0000  165.838   12.755  ?   ?   245.992   9.5954      ?      ? 
1 1 1    0   22   41 o  197.988   10.559  111.725   11.110  125.090   15.098   95.946   16.406  211.925   13.184  184.051   16.496 27.87354 21.11723 
1 1 1    0   22   42 o   64.926   17.821   9.6692   9.0857   13.050   11.873   4.8919   14.114   68.911   24.880   60.941   25.521 7.970291 35.64143 
1 1 1    0   22   43 o  281.042   9.3014  221.274   14.112  231.081   19.899  211.351   20.016  287.567   12.806  274.516   13.493 13.05099 18.60271 
1 1 1    0   22   44 o   49.618   15.596  -4.0579   8.8564   4.3423   12.041 -13.9572   13.072   56.457   23.601   42.779   20.395 13.67837 31.19271 
1 1 1    0   22   45 o  139.575   11.074   54.732   7.7597   58.356   13.952   53.110   9.3370  141.492   18.248  137.658   12.552 3.833115 22.14860 
1 1 1    0   22   46 o  254.928   6.7534  179.048   9.1872  184.331   14.238  175.279   12.026  257.704   10.224  252.152   8.8261 5.551987 13.50679 
1 1 1    0   22   47 o   51.785   14.715   5.3572   6.2582   3.0257   10.198   6.7659   7.9263   50.891   21.522   52.679   20.074 -1.787575 29.43024 
1 1 1    0   22   48 o  260.605   8.8327  187.779   12.438   0.0000   0.0000  187.779   12.438  ?   ?   260.605   8.8327      ?      ? 
1 1 1    0   22   49 o  136.977   9.8117   53.488   7.1753   55.043   11.086   52.367   9.4129  138.125   14.853  135.829   12.825 2.296890 19.62334 
1 1 1    0   22   50 o  218.179   7.2796  131.605   8.4831  144.906   13.250  122.366   11.043  227.002   10.802  209.355   9.7615 17.64670 14.55915 
1 1 1    0   22   51 o   41.651   13.371  -3.0759   6.4004   0.0687   10.131  -5.1644   8.2566   46.351   20.504   36.951   17.169 9.400204 26.74273 
1 1 1    0   22   52 o  121.648   11.000   44.451   7.1458   43.367   10.845   45.282   9.4993  119.324   16.820  123.972   14.180 -4.647446 21.99960 
1 1 1    0   22   53 o  113.736   13.164   43.806   7.2087   24.598   10.946   58.519   9.5797   84.774   23.213  142.698   12.424 -57.92358 26.32868 
1 1 1    0   22   54 o   81.581   15.833   22.613   7.1382   25.135   10.913   20.727   9.4371   85.000   23.139   78.163   21.617 6.836792 31.66521 
1 1 1    0   22   55 o   78.295   14.419   23.095   6.9964   10.432   10.264   34.085   9.5619   55.724   22.359  100.867   18.213 -45.14291 28.83858 
1 1 1    0   22   56 o  253.143   9.4399  182.113   12.913   0.0000   0.0000  182.113   12.913  ?   ?   253.143   9.4399      ?      ? 
1 1 1    0   22   57 o   57.391   15.483   10.499   6.9719   19.693   10.750   3.8235   9.1595   69.297   23.785   45.486   19.827 23.81086 30.96546 
1 1 1    0   23    1 o  208.465   8.3346  117.564   9.3888   0.0000   0.0000  117.564   9.3888  ?   ?   208.465   8.3346      ?      ? 
1 1 1    0   23    2 o  293.215   9.0905  232.639   14.403   0.0000   0.0000  232.639   14.403  ?   ?   293.215   9.0905      ?      ? 
1 1 1    0   23    3 o  238.939   7.9986  154.432   10.327   0.0000   0.0000  154.432   10.327  ?   ?   238.939   7.9986      ?      ? 
1 1 1    0   23    4 o  353.365   7.8564  337.747   15.002   0.0000   0.0000  337.747   15.002  ?   ?   353.365   7.8564      ?      ? 
1 1 1    0   23    5 o  293.233   7.1186  232.532   11.280   0.0000   0.0000  232.532   11.280  ?   ?   293.233   7.1186      ?      ? 
1 1 1    0   23    6 o  293.248   7.3245  232.568   11.606   0.0000   0.0000  232.568   11.606  ?   ?   293.248   7.3245      ?      ? 
1 1 1    0   23    7 o  274.380   7.7805  192.943   10.385  229.054   20.302  180.148   12.086  290.721   12.924  258.040   8.6674 32.68127 15.56099 
1 1 1    0   23    8 o  228.530   8.2266  150.408   9.3575  115.721   15.638  169.757   11.679  206.575   14.009  250.485   8.6288 -43.91013 16.45311 
1 1 1    0   23    9 o   87.238   16.726   21.575   8.3683   13.846   12.170   28.507   11.526   74.138   25.310  100.337   21.875 -26.19852 33.45282 
1 1 1    0   23   12 o  276.530   7.4197  206.133   11.054  220.364   16.428  194.358   14.943  285.197   10.660  267.862   10.324 17.33401 14.83942 
1 1 1    0   23   14 o  118.797   12.551   38.453   8.0407   35.339   11.269   41.682   11.476  113.866   18.315  123.728   17.165 -9.862701 25.10138 
1 1 1    0   23   16 o  365.540   15.763  363.513   31.136  363.513   31.136   0.0000   0.0000  365.540   15.763  ?   ?       ?      ? 
1 1 1    0   23   17 o   73.405   21.030   1.9556   13.342   17.495   21.102  -8.3941   17.222   88.934   32.995   57.875   26.084 31.05954 42.05952 
1 1 1    0   23   18 o  159.191   16.805   69.779   14.269   68.896   21.928   70.428   18.792  158.089   25.669  160.293   21.696 -2.203964 33.60981 
1 1 1    0   23   19 o  359.442   10.522  353.793   20.305  325.901   29.665  378.378   27.851  345.850   15.873  373.035   13.817 -27.18466 21.04418 
1 1 1    0   23   20 o  336.453   10.401  308.741   18.865  300.901   27.443  315.766   25.975  332.291   15.284  340.614   14.113 -8.323486 20.80299 
1 1 1    0   23   22 o  209.871   8.0592  119.711   9.1338  118.211   13.108  121.128   12.735  208.568   11.630  211.174   11.160 -2.605713 16.11850 
1 1 1    0   23   23 o  178.058   12.562   86.276   12.086   0.0000   0.0000   86.276   12.086  ?   ?   178.058   12.562      ?      ? 
1 1 1    0   23   24 o   72.346   17.965   13.212   8.6711   15.707   10.807   8.7050   14.527   75.500   23.751   69.193   26.961 6.307152 35.93100 
1 1 1    0   23   25 o  121.551   12.360   41.630   7.7880   33.880   11.161   48.984   10.873  109.276   19.622  133.827   15.035 -24.55084 24.72000 
1 1 1    0   23   26 o  127.836   12.357   44.801   8.4648   46.329   12.917   43.652   11.206  129.604   18.444  126.067   16.450 3.536743 24.71441 
1 1 1    0   23   27 o   96.151   14.854   26.645   7.5029   25.298   10.658   27.969   10.564   93.598   21.522   98.704   20.478 -5.105911 29.70750 
1 1 1    0   23   28 o  425.166   9.7025  491.395   22.291   0.0000   0.0000  491.395   22.291  ?   ?   425.166   9.7025      ?      ? 
1 1 1    0   23   29 o  321.225   9.2562  280.492   16.067   0.0000   0.0000  280.492   16.067  ?   ?   321.225   9.2562      ?      ? 
1 1 1    0   23   30 o  418.750   9.6121  477.284   21.750   0.0000   0.0000  477.284   21.750  ?   ?   418.750   9.6121      ?      ? 
1 1 1    0   23   31 o  222.298   7.3024  134.834   8.7689  132.031   12.469  137.577   12.334  219.978   10.490  224.618   10.162 -4.640060 14.60477 
1 1 1    0   23   32 f  369.508   6.7309  372.137   13.438  366.307   19.055  377.905   18.953  366.595   9.6190  372.420   9.4179 -5.825439 13.46185 
1 1 1    0   23   34 o  430.850   9.7133  506.706   22.614   0.0000   0.0000  506.706   22.614  ?   ?   430.850   9.7133      ?      ? 
1 1 1    0   23   35 o  188.379   11.298   97.401   11.501   0.0000   0.0000   97.401   11.501  ?   ?   188.379   11.298      ?      ? 
1 1 1    0   23   36 o  187.776   11.206   96.891   11.370   0.0000   0.0000   96.891   11.370  ?   ?   187.776   11.206      ?      ? 
1 1 1    0   23   37 o  262.947   14.704  192.613   20.892   0.0000   0.0000  192.613   20.892  ?   ?   262.947   14.704      ?      ? 
1 1 1    0   23   38 o   65.820   17.641   7.6203   9.6451   18.786   13.149  -5.3851   14.191   79.688   26.298   51.952   23.522 27.73538 35.28234 
1 1 1    0   23   39 o   97.084   18.118   29.142   9.5668   27.320   12.627   31.599   14.659   93.946   24.587  100.221   26.619 -6.275368 36.23603 
1 1 1    0   23   40 o  174.978   11.740   84.612   10.947   71.104   14.188  104.482   17.208  158.196   16.598  191.760   16.607 -33.56416 23.47906 
1 1 1    0   23   41 o  120.396   16.142   46.135   9.9470   56.779   13.226   32.275   15.092  140.674   17.399  100.117   27.193 40.55713 32.28310 
1 1 1    0   23   42 o  266.151   7.8686  199.924   10.731  185.586   17.941  207.911   13.390  257.370   12.901  274.932   9.0128 -17.56171 15.73717 
1 1 1    0   23   43 o   79.043   14.829   19.932   6.6552   13.196   10.303   24.755   8.7179   67.201   23.273   90.886   18.383 -23.68595 29.65760 
1 1 1    0   23   44 o  189.258   7.8243  100.416   7.8876   95.676   12.043  103.978   10.438  184.782   12.061  193.733   9.9709 -8.950836 15.64860 
1 1 1    0   23   45 o   37.859   12.514  -9.6026   6.3724  -0.8573   9.8446 -15.9094   8.3602   45.755   20.227   29.963   14.739 15.79204 25.02776 
1 1 1    0   23   46 o   75.866   21.105   18.210   8.9679   0.0000   0.0000   18.210   8.9679  ?   ?    75.866   21.105      ?      ? 
1 1 1    0   23   47 o   74.742   15.448   17.949   6.6857   15.306   10.120   19.997   8.9063   69.790   23.072   79.693   20.549 -9.903061 30.89663 
1 1 1    0   23   48 o   51.122   14.852   4.4101   6.4713   7.4532   10.296   2.4225   8.3204   56.258   22.457   45.986   19.443 10.27199 29.70417 
1 1 1    0   23   49 o  121.008   11.076   43.361   7.0994   40.681   10.933   45.314   9.3353  116.654   17.344  125.362   13.781 -8.707489 22.15235 
1 1 1    0   23   50 o   80.469   15.777   21.903   7.0704   23.103   10.591   20.938   9.4968   81.993   22.980   78.944   21.625 3.048836 31.55496 
1 1 1    0   23   51 o  100.328   13.485   32.932   6.9761   24.269   10.415   39.981   9.3950   84.470   22.438  116.186   14.964 -31.71559 26.97007 
1 1 1    0   23   52 o  177.861   8.5593   89.095   8.1581  103.752   12.528   78.304   10.749  190.287   12.184  165.435   12.025 24.85210 17.11860 
1 1 1    0   23   53 o   48.442   14.648   3.3265   6.7925   8.9398   10.616  -0.5640   8.8383   55.381   22.553   41.502   18.697 13.87890 29.29551 
1 1 1    0   23   54 o   90.885   14.930   28.845   7.1787   32.469   10.691   25.870   9.6871   96.225   21.139   85.545   21.090 10.68044 29.86060 
1 1 1    0   23   55 o  135.344   10.721   56.570   7.7578   59.041   11.929   54.760   10.212  136.711   16.148  133.978   14.106 2.733292 21.44126 
1 1 1    0   24    1 o  421.977   7.1972  481.730   16.411   0.0000   0.0000  481.730   16.411  ?   ?   421.977   7.1972      ?      ? 
1 1 1    0   24    2 o  339.452   8.9418  311.958   16.402   0.0000   0.0000  311.958   16.402  ?   ?   339.452   8.9418      ?      ? 
1 1 1    0   24    3 o  231.524   7.9965  145.064   10.004   0.0000   0.0000  145.064   10.004  ?   ?   231.524   7.9965      ?      ? 
1 1 1    0   24    4 o  225.966   8.0294  138.188   9.8043   0.0000   0.0000  138.188   9.8043  ?   ?   225.966   8.0294      ?      ? 
1 1 1    0   24    5 o  157.164   10.087   66.914   8.5667   0.0000   0.0000   66.914   8.5667  ?   ?   157.164   10.087      ?      ? 
1 1 1    0   24    6 o  576.192   12.193  900.512   37.964   0.0000   0.0000  900.512   37.964  ?   ?   576.192   12.193      ?      ? 
1 1 1    0   24    7 o  803.052   12.555  1739.65   50.658  1804.28   90.833  1710.47   61.031  812.577   20.687  793.527   14.233 19.05011 25.11031 
1 1 1    0   24    8 o  247.100   8.0945  170.344   9.7297  154.347   17.828  177.130   11.611  238.397   13.839  255.802   8.4003 -17.40506 16.18892 
1 1 1    0   24    9 o  646.499   10.477  1135.91   34.466  1136.49   59.809  1135.62   42.172  645.969   17.134  647.028   12.062 -1.058716 20.95408 
1 1 1    0   24   10 o  254.607   18.738  176.869   25.780  176.869   25.780   0.0000   0.0000  254.607   18.738  ?   ?       ?      ? 
1 1 1    0   24   11 o   65.372   29.363  -9.4797   21.610  -9.4797   21.610   0.0000   0.0000   65.372   29.363  ?   ?       ?      ? 
1 1 1    0   24   12 o  129.361   21.513   47.405   14.780   57.995   22.327   39.144   19.719  142.081   30.021  116.640   30.822 25.44148 43.02576 
1 1 1    0   24   13 o  202.417   15.018  112.743   16.156  109.459   25.025  115.090   21.156  199.607   23.201  205.227   19.077 -5.620132 30.03670 
1 1 1    0   24   14 o  117.653   22.155   41.453   14.883   24.775   23.232   53.063   19.383   99.123   34.910  136.183   27.290 -37.05936 44.31063 
1 1 1    0   24   15 o  239.327   12.916  159.147   16.418  137.207   24.425  177.230   22.174  223.719   20.204  254.936   16.096 -31.21660 25.83199 
1 1 1    0   24   16 o  244.550   9.7474  150.046   11.689  134.633   13.600  193.626   22.868  222.682   11.302  266.418   15.884 -43.73524 19.49485 
1 1 1    0   24   17 o  194.209   12.572  102.562   13.193   0.0000   0.0000  102.562   13.193  ?   ?   194.209   12.572      ?      ? 
1 1 1    0   24   18 o  268.835   7.3423  195.753   10.644  178.800   14.718  214.339   15.412  256.632   10.614  281.039   10.148 -24.40738 14.68458 
1 1 1    0   24   19 o  158.162   14.272   68.208   12.197   0.0000   0.0000   68.208   12.197  ?   ?   158.162   14.272      ?      ? 
1 1 1    0   24   20 o  217.854   11.188  128.998   13.171   0.0000   0.0000  128.998   13.171  ?   ?   217.854   11.188      ?      ? 
1 1 1    0   24   21 o  190.688   8.5299   97.654   8.7301  112.513   13.272   86.322   11.591  203.300   12.081  178.076   12.045 25.22366 17.05985 
1 1 1    0   24   22 o  466.647   7.4083  592.083   18.677  577.847   26.369  606.415   26.458  460.988   10.586  472.307   10.367 -11.31955 14.81651 
1 1 1    0   24   23 o  447.047   14.030  546.622   33.893   0.0000   0.0000  546.622   33.893  ?   ?   447.047   14.030      ?      ? 
1 1 1    0   24   24 o  268.007   10.333  195.393   14.964   0.0000   0.0000  195.393   14.964  ?   ?   268.007   10.333      ?      ? 
1 1 1    0   24   25 o  359.791   12.986  353.604   25.247  353.604   25.247   0.0000   0.0000  359.791   12.986  ?   ?       ?      ? 
1 1 1    0   24   26 o  212.731   10.996  123.318   12.641   0.0000   0.0000  123.318   12.641  ?   ?   212.731   10.996      ?      ? 
1 1 1    0   24   27 o  371.065   6.8694  374.863   13.770  369.430   19.596  380.163   19.354  368.371   9.8447  373.758   9.5830 -5.387177 13.73873 
1 1 1    0   24   30 o  153.281   9.6446   64.495   7.9758   67.153   11.685   62.176   10.914  156.189   13.845  150.372   13.431 5.817215 19.28919 
1 1 1    0   24   31 o   62.374   15.851   8.1673   7.3112   15.773   10.440   0.8459   10.243   74.323   23.337   50.424   21.457 23.89899 31.70260 
1 1 1    0   24   32 o  289.193   9.6667  228.387   15.106   0.0000   0.0000  228.387   15.106  ?   ?   289.193   9.6667      ?      ? 
1 1 1    0   24   33 o  215.576   14.217  128.851   16.561   0.0000   0.0000  128.851   16.561  ?   ?   215.576   14.217      ?      ? 
1 1 1    0   24   34 o   74.956   18.039   14.990   8.7584   10.563   11.446   21.243   13.604   65.574   24.305   84.338   26.662 -18.76414 36.07803 
1 1 1    0   24   35 o  214.399   10.054  127.994   11.634  133.716   16.344  122.117   16.563  219.447   13.783  209.351   14.641 10.09575 20.10803 
1 1 1    0   24   36 o  150.172   12.318   62.914   9.8631   58.311   12.775   69.707   15.519  143.853   16.434  156.490   18.353 -12.63681 24.63530 
1 1 1    0   24   37 o  164.482   11.676   76.760   10.294   77.545   13.771   75.766   15.497  165.953   15.356  163.011   17.593 2.941910 23.35259 
1 1 1    0   24   38 o   69.186   16.142   11.024   7.4599   23.896   12.041   3.0059   9.5033   87.719   24.475   50.654   21.053 37.06507 32.28435 
1 1 1    0   24   39 o  169.429   8.6681   80.195   7.8781   77.702   11.760   82.224   10.611  166.693   13.056  172.165   11.406 -5.472260 17.33613 
1 1 1    0   24   40 o  290.473   9.1617  232.214   14.380   0.0000   0.0000  232.214   14.380  ?   ?   290.473   9.1617      ?      ? 
1 1 1    0   24   41 o  201.952   7.8026  114.332   8.4245   98.472   12.146  129.038   11.695  187.843   11.966  216.061   10.017 -28.21815 15.60517 
1 1 1    0   24   42 o  163.675   8.8989   75.193   7.8254   76.045   11.731   74.511   10.504  164.182   13.223  163.168   11.913 1.014221 17.79790 
1 1 1    0   24   43 o  184.007   8.3842   96.491   8.1886   82.361   12.116  108.374   11.110  170.630   13.140  197.384   10.417 -26.75366 16.76833 
1 1 1    0   24   44 o   75.495   15.330   16.689   6.9556   27.675   10.764   8.8132   9.1139   93.389   21.737   57.601   21.621 35.78791 30.65937 
1 1 1    0   24   45 o   59.888   15.137   8.8249   6.9475  -0.3836   10.132   16.996   9.5445   46.655   20.578   73.122   22.204 -26.46678 30.27342 
1 1 1    0   24   46 o  126.253   10.667   47.325   7.0668   37.723   10.452   55.410   9.5909  112.911   17.131  139.595   12.715 -26.68378 21.33412 
1 1 1    0   24   47 o   77.783   15.370   19.892   6.7593   17.297   10.028   22.053   9.1504   72.618   22.884   82.948   20.526 -10.33011 30.74100 
1 1 1    0   24   48 o  128.178   10.850   49.266   7.3378   43.336   11.147   53.801   9.7478  119.855   17.211  136.501   13.215 -16.64529 21.69963 
1 1 1    0   24   49 o   71.306   15.173   16.949   7.0193   7.4536   10.130   25.718   9.7351   54.566   22.101   88.046   20.794 -33.48023 30.34502 
1 1 1    0   24   50 o   72.651   13.066   15.973   7.0829  -4.4501   10.741   31.685   9.4215   42.934   19.820  102.367   17.032 -59.43309 26.13279 
1 1 1    0   24   51 o   60.230   15.339   10.712   6.9978   2.6093   10.263   17.753   9.5669   48.515   21.068   71.946   22.300 -23.43150 30.67841 
1 1 1    0   24   52 o  135.241   10.783   58.237   7.6452   49.354   11.542   65.180   10.205  123.162   17.343  147.319   12.819 -24.15656 21.56641 
1 1 1    0   24   53 o   96.541   18.130   34.446   8.9778   40.586   16.914   32.037   10.593   96.769   29.595   96.313   20.951 0.4554443 36.26003 
1 1 1    0   24   54 o   96.774   17.059   42.042   10.002   24.640   17.024   51.216   12.360   70.463   28.611  123.086   18.584 -52.62359 34.11702 
1 1 1    0   25    1 o  202.833   8.8426  111.429   9.6918   0.0000   0.0000  111.429   9.6918  ?   ?   202.833   8.8426      ?      ? 
1 1 1    0   25    2 o  310.294   7.2523  260.570   12.160   0.0000   0.0000  260.570   12.160  ?   ?   310.294   7.2523      ?      ? 
1 1 1    0   25    3 o  295.933   9.1525  237.247   14.636   0.0000   0.0000  237.247   14.636  ?   ?   295.933   9.1525      ?      ? 
1 1 1    0   25    4 o  447.746   8.4164  542.898   20.363   0.0000   0.0000  542.898   20.363  ?   ?   447.746   8.4164      ?      ? 
1 1 1    0   25    7 o  188.934   11.721   96.912   11.967   0.0000   0.0000   96.912   11.967  ?   ?   188.934   11.721      ?      ? 
1 1 1    0   25    8 o  593.619   11.675  956.818   37.450   0.0000   0.0000  956.818   37.450  ?   ?   593.619   11.675      ?      ? 
1 1 1    0   25   10 f  309.948   15.975  262.162   26.756   0.0000   0.0000  262.162   26.756  ?   ?   309.948   15.975      ?      ? 
1 1 1    0   25   11 o  367.137   9.1307  354.181   16.701  335.871   19.829  398.874   30.979  351.799   10.431  382.476   14.989 -30.67764 18.26145 
1 1 1    0   25   12 f  311.630   7.1752  263.363   12.079  256.371   16.839  270.775   17.336  307.373   10.138  315.888   10.156 -8.514130 14.35039 
1 1 1    0   25   13 o   67.631   15.245   7.7957   7.8083  -7.3593   10.896   23.793   11.195   44.198   20.241   91.064   22.802 -46.86554 30.48951 
1 1 1    0   25   14 o  299.990   7.1265  244.268   11.550  244.425   16.492  244.117   16.181  300.072   10.171  299.908   9.9847 0.1640320 14.25291 
1 1 1    0   25   15 o  465.636   10.499  588.863   26.416   0.0000   0.0000  588.863   26.416  ?   ?   465.636   10.499      ?      ? 
1 1 1    0   25   16 o  137.545   11.463   52.385   8.3127   66.449   11.884   38.913   11.631  156.050   14.094  119.040   18.082 37.00997 22.92594 
1 1 1    0   25   17 o  104.027   14.412   30.240   7.9325   25.249   10.827   36.025   11.656   93.672   21.799  114.382   18.858 -20.71056 28.82338 
1 1 1    0   25   18 o  334.466   7.0653  304.018   12.768  303.782   18.201  304.247   17.915  334.322   10.075  334.610   9.9079 -0.2882080 14.13051 
1 1 1    0   25   19 o  360.589   9.9114  353.469   19.312   0.0000   0.0000  353.469   19.312  ?   ?   360.589   9.9114      ?      ? 
1 1 1    0   25   20 o  147.999   10.492   60.277   8.3517   64.148   11.536   56.014   12.106  153.135   13.942  142.863   15.682 10.27173 20.98330 
1 1 1    0   25   22 o  163.372   11.101   70.585   9.5530   61.846   11.988   85.788   15.812  150.189   14.772  176.554   16.574 -26.36534 22.20112 
1 1 1    0   25   24 o  243.112   12.888  161.847   16.931  161.847   16.931   0.0000   0.0000  243.112   12.888  ?   ?       ?      ? 
1 1 1    0   25   25 f  374.855   7.1254  381.255   14.385  340.841   19.666  427.766   21.097  353.517   10.295  396.194   9.8543 -42.67654 14.25085 
1 1 1    0   25   26 o  171.768   11.042   82.620   9.9699   86.826   12.906   76.396   15.700  177.761   13.436  165.774   17.527 11.98730 22.08417 
1 1 1    0   25   27 o   90.514   16.981   25.347   8.8170   32.544   11.364   14.462   13.975  105.944   20.593   75.085   27.008 30.85889 33.96280 
1 1 1    0   25   28 o  320.155   9.1839  281.785   15.880  282.658   22.117  280.856   22.813  320.763   12.760  319.549   13.212 1.213928 18.36771 
1 1 1    0   25   29 o  224.260   9.8329  138.976   11.894  141.757   16.441  135.923   17.228  226.780   13.417  221.740   14.378 5.040436 19.66572 
1 1 1    0   25   30 o  166.893   11.315   78.163   10.093   81.644   13.523   73.784   15.167  171.555   14.587  162.231   17.301 9.324280 22.63013 
1 1 1    0   25   31 o  154.124   11.959   66.972   9.8950   70.180   13.478   63.221   14.573  158.533   15.733  149.714   18.014 8.818512 23.91735 
1 1 1    0   25   32 o   71.691   17.993   12.696   9.5080   21.532   12.828   1.9259   14.163   84.581   25.755   58.802   25.132 25.77937 35.98501 
1 1 1    0   25   33 o  282.457   9.0775  221.500   13.815  236.036   19.311  206.261   19.771  292.293   12.226  272.621   13.421 19.67236 18.15501 
1 1 1    0   25   34 o   83.326   17.024   20.528   7.9935   25.203   12.663   17.431   10.306   90.396   25.056   76.257   23.054 14.13831 34.04853 
1 1 1    0   25   35 o  159.545   12.678   70.799   10.930   0.0000   0.0000   70.799   10.930  ?   ?   159.545   12.678      ?      ? 
1 1 1    0   25   36 o  177.844   8.5542   88.253   8.1267   84.831   12.316   90.892   10.816  174.372   13.070  181.317   11.039 -6.945175 17.10840 
1 1 1    0   25   37 o   85.250   14.176   22.360   6.8948   11.914   10.008   31.796   9.5122   65.068   22.913  105.431   16.696 -40.36285 28.35117 
1 1 1    0   25   38 o  138.721   10.255   54.210   7.6720   58.487   11.269   50.514   10.475  143.801   14.502  133.640   14.505 10.16147 20.51069 
1 1 1    0   25   39 o  204.923   7.7343  116.689   8.5409  115.414   12.508  117.803   11.691  203.652   11.366  206.193   10.492 -2.540863 15.46864 
1 1 1    0   25   40 o  146.112   9.4259   60.789   7.3610   55.603   10.922   65.106   9.9639  139.796   14.459  152.428   12.097 -12.63211 18.85175 
1 1 1    0   25   41 o   61.814   15.188   10.240   6.9064   1.2160   10.388   17.389   9.2457   49.209   21.283   74.420   21.673 -25.21090 30.37568 
1 1 1    0   25   42 o  154.211   9.4202   68.414   7.7364   60.465   11.469   75.051   10.480  145.104   14.627  163.317   11.875 -18.21318 18.84043 
1 1 1    0   25   43 o   73.821   15.855   17.417   6.9249   15.359   10.050   19.276   9.5550   69.903   22.988   77.740   21.842 -7.837143 31.70962 
1 1 1    0   25   44 o   42.502   13.674  -3.8064   6.9203  -0.9988   9.9480  -6.4391   9.6333   45.414   20.192   39.591   18.445 5.823143 27.34854 
1 1 1    0   25   45 o   41.220   13.401  -5.5256   6.9385  -0.2461   10.098 -10.2480   9.5501   46.187   20.449   36.253   17.325 9.933693 26.80122 
1 1 1    0   25   46 o  105.595   12.917   34.415   7.1265   32.510   10.630   35.971   9.6044  101.067   20.171  110.124   16.140 -9.056465 25.83354 
1 1 1    0   25   47 o   45.806   14.242   0.8644   6.8972  -2.5649   10.391   3.5655   9.2218   43.539   19.874   48.072   20.405 -4.532570 28.48401 
1 1 1    0   25   48 o   46.545   14.451   0.5759   7.0469   4.0393   10.241  -2.5383   9.7114   50.606   21.493   42.485   19.323 8.121159 28.90209 
1 1 1    0   25   49 o  114.750   12.535   40.268   7.7281   40.360   11.528   40.194   10.415  114.117   18.695  115.383   16.704 -1.266388 25.07044 
1 1 1    0   25   50 o   46.715   14.057   2.1599   6.9795  -9.4045   10.922   10.141   9.0739   37.956   18.242   55.473   21.393 -17.51629 28.11455 
1 1 1    0   25   51 o  218.834   11.672  153.629   13.198  130.293   20.623  169.820   17.177  199.121   19.166  238.547   13.326 -39.42590 23.34349 
1 1 1    0   25   52 o   77.592   18.707   26.983   9.8353   20.784   17.414   29.887   11.918   67.992   28.399   87.192   24.357 -19.20009 37.41405 
1 1 1    0   26    4 o  111.107   37.753   33.739   27.075   0.0000   0.0000   33.739   27.075  ?   ?   111.107   37.753      ?      ? 
1 1 1    0   26    6 o  258.681   11.327  181.873   15.833   0.0000   0.0000  181.873   15.833  ?   ?   258.681   11.327      ?      ? 
1 1 1    0   26    7 o   88.028   25.396   22.082   12.749   0.0000   0.0000   22.082   12.749  ?   ?    88.028   25.396      ?      ? 
1 1 1    0   26    8 o  265.625   13.492  192.320   19.365   0.0000   0.0000  192.320   19.365  ?   ?   265.625   13.492      ?      ? 
1 1 1    0   26    9 o  278.886   9.1685  211.938   13.812  212.838   19.290  210.991   19.785  279.528   12.771  278.243   13.159 1.285126 18.33701 
1 1 1    0   26   10 o  185.317   10.620   93.054   10.475   89.324   13.567   98.559   16.484  180.918   13.878  189.716   16.079 -8.798187 21.24026 
1 1 1    0   26   11 o  257.545   9.4368  182.021   12.986  214.685   18.467  150.068   18.265  280.747   12.173  234.343   14.424 46.40379 18.87366 
1 1 1    0   26   12 o   84.619   17.943   20.362   8.7127   20.972   11.035   19.351   14.198   85.370   23.279   83.868   27.310 1.501907 35.88521 
1 1 1    0   26   13 o  231.047   9.2720  147.485   11.141  152.580   14.111  139.054   18.151  236.760   11.030  225.335   14.907 11.42529 18.54408 
1 1 1    0   26   14 o  188.691   9.9920   95.342   9.9495   88.418   12.587  106.869   16.243  179.947   12.945  197.436   15.224 -17.48901 19.98397 
1 1 1    0   26   15 o  167.607   11.673   76.256   10.486   69.977   13.797   84.842   16.135  159.630   15.995  175.585   17.005 -15.95413 23.34543 
1 1 1    0   26   16 o  238.985   9.6073  154.866   12.290  147.387   16.150  165.158   18.945  232.330   12.864  245.639   14.273 -13.30905 19.21467 
1 1 1    0   26   17 o  274.963   9.5583  207.064   14.139  231.531   20.145  183.311   19.849  291.166   12.804  258.760   14.195 32.40558 19.11653 
1 1 1    0   26   18 o  138.593   13.566   52.843   10.099   49.865   13.435   56.712   15.314  134.255   18.520  142.931   19.827 -8.676590 27.13112 
1 1 1    0   26   19 o   67.695   18.162   9.8235   9.1649   12.153   11.872   6.3874   14.418   69.836   24.917   65.554   26.431 4.281647 36.32405 
1 1 1    0   26   20 o  426.063   9.6700  498.072   22.257  507.658   31.316  488.288   31.638  430.303   13.468  421.823   13.880 8.479462 19.34007 
1 1 1    0   26   21 o  264.866   9.4534  192.401   13.523  189.031   18.772  196.036   19.498  262.498   13.234  267.234   13.503 -4.736237 18.90678 
1 1 1    0   26   22 o   74.970   18.044   15.324   8.8856   18.687   11.536   10.417   13.934   80.438   24.407   69.503   26.584 10.93590 36.08839 
1 1 1    0   26   23 o  182.101   10.946   93.281   10.551  102.973   14.100   80.946   15.907  193.539   13.482  170.663   17.249 22.87555 21.89270 
1 1 1    0   26   24 o  107.069   16.352   34.613   9.7865   53.198   13.690   15.191   13.995  138.011   18.357   76.127   27.065 61.88384 32.70304 
1 1 1    0   26   25 o   68.425   18.350   10.532   9.3476   11.493   12.931   9.4797   13.528   69.440   25.815   67.411   26.086 2.029015 36.70047 
1 1 1    0   26   26 o   90.132   17.752   23.453   9.1050   16.809   12.130   32.027   13.780   76.914   25.253  103.349   24.957 -26.43484 35.50386 
1 1 1    0   26   27 f   71.952   17.870   12.972   9.2736   21.097   12.533   3.1419   13.786   84.187   25.417   59.717   25.126 24.46987 35.73982 
1 1 1    0   26   28 o  269.277   8.1634  194.254   11.509  220.158   19.236  179.812   14.363  282.437   12.604  256.118   10.378 26.31894 16.32682 
1 1 1    0   26   29 o  245.641   10.294  165.466   13.664   0.0000   0.0000  165.466   13.664  ?   ?   245.641   10.294      ?      ? 
1 1 1    0   26   30 o   93.756   15.237   26.279   7.6055   21.251   10.621   31.572   10.896   84.028   22.807  103.484   20.211 -19.45550 30.47323 
1 1 1    0   26   31 o   85.991   15.119   22.405   7.3191   31.372   10.304   13.276   10.398  103.345   19.158   68.637   23.395 34.70795 30.23800 
1 1 1    0   26   32 f   50.294   14.314  -2.4804   7.1627   12.081   10.244 -16.4065   10.019   66.093   23.189   34.494   16.789 31.59854 28.62880 
1 1 1    0   26   33 o   76.512   15.004   16.778   7.3770   4.1592   10.446   29.332   10.419   54.015   22.226   99.009   20.160 -44.99374 30.00751 
1 1 1    0   26   34 o   85.248   15.736   22.059   7.3909   27.370   10.894   17.530   10.060   94.659   21.754   75.837   22.744 18.82173 31.47281 
1 1 1    0   26   35 o   70.278   14.280   13.264   6.9246  -0.2798   9.8546   26.474   9.7322   46.987   20.521   93.570   19.862 -46.58278 28.55923 
1 1 1    0   26   36 o   88.194   14.279   22.742   7.0517   34.960   10.590   13.009   9.4519  109.899   17.833   66.489   22.307 43.41000 28.55896 
1 1 1    0   26   37 o   65.264   16.124   12.238   6.9753   13.430   10.401   11.264   9.4033   67.542   23.384   62.985   22.207 4.557541 32.24846 
1 1 1    0   26   38 o  135.858   10.639   52.636   7.7940   55.113   11.486   50.523   10.610  138.668   15.329  133.047   14.758 5.620880 21.27898 
1 1 1    0   26   39 o  162.446   9.0093   74.447   7.8982   69.474   11.028   79.685   11.317  156.724   13.022  168.169   12.454 -11.44475 18.01858 
1 1 1    0   26   40 o  107.744   13.542   35.890   7.4462   52.783   10.807   20.620   10.274  135.468   14.763   80.020   22.708 55.44824 27.08478 
1 1 1    0   26   41 o   42.341   13.755  -4.9537   7.2076  -6.4058   10.323  -3.5722   10.068   41.378   19.216   43.305   19.687 -1.927410 27.51097 
1 1 1    0   26   42 o   64.573   15.938   12.349   7.1797   6.5292   10.445   17.562   9.8854   55.402   22.441   73.744   22.637 -18.34225 31.87508 
1 1 1    0   26   43 o   69.758   16.244   15.402   7.1961   20.037   10.617   11.463   9.7877   77.605   23.385   61.911   22.553 15.69387 32.48838 
1 1 1    0   26   44 o   59.505   14.889   6.1544   7.1975   21.290   10.711  -6.3081   9.7189   79.506   23.376   39.504   18.445 40.00175 29.77740 
1 1 1    0   26   45 o   82.550   15.850   23.460   7.2702   21.783   10.645   24.926   9.9532   78.993   23.327   86.108   21.466 -7.114883 31.70064 
1 1 1    0   26   46 o  109.630   18.266   37.035   10.821   37.035   10.821   0.0000   0.0000  109.630   18.266  ?   ?       ?      ? 
1 1 1    0   26   47 o  127.676   11.396   48.722   7.8560   51.386   11.232   46.170   10.992  131.309   15.830  124.043   16.399 7.266731 22.79266 
1 1 1    0   26   48 o   58.756   16.107   11.473   7.3060   10.263   11.216   12.364   9.6293   57.446   23.259   60.065   22.287 -2.618877 32.21338 
1 1 1    0   26   49 o   53.468   17.303   3.7771   10.615   1.8734   19.695   4.5563   12.601   55.537   26.037   51.400   22.796 4.137470 34.60572 
1 1 1    0   26   50 o   94.666   19.252   40.006   10.645   32.320   21.221   42.590   12.305   79.038   31.996  110.294   21.419 -31.25614 38.50312 
1 1 1    0   26   51 o   83.320   20.731   31.535   10.853   47.320   19.751   24.707   12.990   92.319   32.209   74.321   26.110 17.99766 41.46274 
1 1 1    0   27    1 o  169.541   11.127   78.263   10.194   0.0000   0.0000   78.263   10.194  ?   ?   169.541   11.127      ?      ? 
1 1 1    0   27    2 o  325.372   7.3544  287.007   12.931   0.0000   0.0000  287.007   12.931  ?   ?   325.372   7.3544      ?      ? 
1 1 1    0   27    3 o  314.695   7.3425  268.483   12.486   0.0000   0.0000  268.483   12.486  ?   ?   314.695   7.3425      ?      ? 
1 1 1    0   27    4 o  286.238   7.5380  222.168   11.659   0.0000   0.0000  222.168   11.659  ?   ?   286.238   7.5380      ?      ? 
1 1 1    0   27    5 o  165.102   10.236   74.142   9.1323   0.0000   0.0000   74.142   9.1323  ?   ?   165.102   10.236      ?      ? 
1 1 1    0   27    6 o  128.383   12.524   44.981   8.6887   0.0000   0.0000   44.981   8.6887  ?   ?   128.383   12.524      ?      ? 
1 1 1    0   27    7 o  258.469   14.066  182.786   19.646   0.0000   0.0000  182.786   19.646  ?   ?   258.469   14.066      ?      ? 
1 1 1    0   27    8 o  123.531   13.054   41.680   8.7140   0.0000   0.0000   41.680   8.7140  ?   ?   123.531   13.054      ?      ? 
1 1 1    0   27    9 o  235.050   7.8829  151.168   9.7056  147.545   15.694  153.412   12.351  232.520   12.490  237.580   9.6204 -5.059418 15.76577 
1 1 1    0   27   10 o  265.383   12.916  192.365   18.522  192.365   18.522   0.0000   0.0000  265.383   12.916  ?   ?       ?      ? 
1 1 1    0   27   11 o  421.019   13.370  484.685   30.418  484.685   30.418   0.0000   0.0000  421.019   13.370  ?   ?       ?      ? 
1 1 1    0   27   12 o  168.512   10.743   78.742   9.6761   70.631   14.273   85.640   13.162  160.162   16.492  176.863   13.772 -16.70085 21.48649 
1 1 1    0   27   13 o  404.501   8.4167  450.895   18.044  423.198   27.915  470.773   23.649  393.274   13.136  415.727   10.527 -22.45282 16.83345 
1 1 1    0   27   14 o  177.587   10.018   86.350   9.6018   90.653   13.995   82.524   13.198  181.741   14.251  173.432   14.083 8.308746 20.03508 
1 1 1    0   27   15 o  227.508   8.7917  139.719   10.694  154.572   16.643  129.273   13.957  237.541   12.966  217.474   11.877 20.06709 17.58331 
1 1 1    0   27   16 o  185.499   9.7936   94.332   9.7879   97.004   14.487   92.087   13.276  187.816   14.274  183.182   13.412 4.634552 19.58713 
1 1 1    0   27   17 o  123.921   14.068   44.489   8.9728   35.383   13.075   52.595   12.336  110.042   22.741  137.801   16.567 -27.75865 28.13522 
1 1 1    0   27   18 o  150.892   10.353   62.943   8.4161   66.666   11.716   58.972   12.098  155.659   13.928  146.125   15.321 9.533890 20.70623 
1 1 1    0   27   19 o  205.679   11.943  115.884   13.274   0.0000   0.0000  115.884   13.274  ?   ?   205.679   11.943      ?      ? 
1 1 1    0   27   20 o  334.202   13.373  307.207   24.151   0.0000   0.0000  307.207   24.151  ?   ?   334.202   13.373      ?      ? 
1 1 1    0   27   21 o  194.105   15.711  104.437   16.479   0.0000   0.0000  104.437   16.479  ?   ?   194.105   15.711      ?      ? 
1 1 1    0   27   22 o  113.359   14.223   35.463   8.3946   45.788   13.409   28.808   10.765  127.495   19.463   99.222   20.746 28.27351 28.44640 
1 1 1    0   27   24 o  107.342   13.656   33.316   7.7038   35.457   10.578   30.897   11.242  112.327   17.427  102.356   21.029 9.971199 27.31151 
1 1 1    0   27   25 o  214.444   8.0973  126.270   9.3642  137.948   13.527  115.522   12.976  224.041   11.173  204.848   11.723 19.19287 16.19457 
1 1 1    0   27   26 o   98.829   14.743   28.935   7.6254   29.461   10.806   28.413   10.762   99.791   20.717   97.867   20.981 1.924232 29.48530 
1 1 1    0   27   27 o  115.140   13.234   38.941   7.7418   52.140   11.067   26.293   10.834  136.624   14.990   93.656   21.813 42.96894 26.46759 
1 1 1    0   27   28 o   72.923   16.496   15.338   7.5948   20.598   10.679   9.9545   10.803   82.453   23.064   63.393   23.590 19.05982 32.99173 
1 1 1    0   27   29 o  148.627   10.395   62.602   8.2427   72.062   11.499   52.604   11.822  160.818   13.232  136.436   16.035 24.38243 20.78943 
1 1 1    0   27   30 o  141.176   14.737   56.027   11.242   0.0000   0.0000   56.027   11.242  ?   ?   141.176   14.737      ?      ? 
1 1 1    0   27   31 o  106.664   13.483   34.005   7.4192   23.760   10.454   44.401   10.531   88.067   22.024  125.261   15.558 -37.19366 26.96562 
1 1 1    0   27   32 o  217.945   11.034  131.686   12.994  131.686   12.994   0.0000   0.0000  217.945   11.034  ?   ?       ?      ? 
1 1 1    0   27   33 o   55.258   15.664   5.8834   7.1109   6.0644   9.7886   5.6811   10.347   55.084   21.925   55.432   22.376 -0.3479195 31.32772 
1 1 1    0   27   34 o  284.903   9.9846  224.345   15.371   0.0000   0.0000  224.345   15.371  ?   ?   284.903   9.9846      ?      ? 
1 1 1    0   27   35 o  162.998   9.3790   75.047   8.2413   72.896   11.959   76.993   11.373  160.493   13.789  165.503   12.717 -5.009903 18.75806 
1 1 1    0   27   36 o   76.272   16.114   18.199   7.2685   14.016   10.090   22.711   10.480   67.962   23.046   84.582   22.527 -16.61980 32.22700 
1 1 1    0   27   37 o  135.337   10.666   52.844   7.6758   41.902   10.677   64.550   11.043  119.995   16.466  150.679   13.563 -30.68340 21.33237 
1 1 1    0   27   38 o  183.673   11.947   95.038   11.857   0.0000   0.0000   95.038   11.857  ?   ?   183.673   11.947      ?      ? 
1 1 1    0   27   39 o   77.097   15.533   18.065   7.4009   29.332   10.859   8.2919   10.114   96.348   21.413   57.846   22.508 38.50165 31.06643 
1 1 1    0   27   40 o   90.924   15.408   26.821   7.5042   23.422   10.828   29.961   10.409   84.363   23.083   97.484   20.414 -13.12127 30.81548 
1 1 1    0   27   41 o  120.747   12.825   44.539   8.0633   37.501   11.437   51.494   11.370  109.199   20.124  132.296   15.904 -23.09740 25.64982 
1 1 1    0   27   42 o  143.429   10.721   60.111   8.2752   68.066   12.161   53.252   11.293  152.523   14.756  134.336   15.557 18.18741 21.44160 
1 1 1    0   27   43 o   59.971   16.283   10.829   7.4361   12.877   10.715   8.9262   10.328   63.100   23.491   56.841   22.554 6.258659 32.56562 
1 1 1    0   27   44 o   43.953   13.745  -5.5055   7.1529   7.7108   10.349 -17.5954   9.8979   55.536   22.392   32.370   15.945 23.16528 27.48923 
1 1 1    0   27   45 o   46.156   14.462  -0.9455   7.3387   4.6885   10.538  -6.2513   10.226   51.924   21.914   40.388   18.879 11.53602 28.92450 
1 1 1    0   27   46 o   64.990   18.945   15.178   11.021   6.3198   20.323   18.867   13.117   60.097   27.567   69.883   25.996 -9.785820 37.89047 
1 1 1    0   27   47 o   98.205   18.598   43.279   10.761   32.095   20.637   47.455   12.611   77.932   31.551  118.479   19.698 -40.54697 37.19505 
1 1 1    0   27   48 o   98.132   18.528   44.094   11.612   23.514   21.859   52.185   13.706   71.758   30.954  124.506   20.371 -52.74821 37.05636 
1 1 1    0   27   49 o   73.524   16.219   21.882   7.4564   16.269   11.070   26.543   10.088   63.392   23.822   83.655   22.017 -20.26327 32.43835 
1 1 1    0   28    0 o  349.690   10.287  331.733   19.438   0.0000   0.0000  331.733   19.438  ?   ?   349.690   10.287      ?      ? 
1 1 1    0   28    1 o  493.148   10.354  662.501   27.591   0.0000   0.0000  662.501   27.591  ?   ?   493.148   10.354      ?      ? 
1 1 1    0   28    2 o  101.848   15.355   28.539   8.4509   0.0000   0.0000   28.539   8.4509  ?   ?   101.848   15.355      ?      ? 
1 1 1    0   28    3 o  261.392   8.6352  185.682   12.197   0.0000   0.0000  185.682   12.197  ?   ?   261.392   8.6352      ?      ? 
1 1 1    0   28    4 o  228.919   8.2975  142.362   10.264   0.0000   0.0000  142.362   10.264  ?   ?   228.919   8.2975      ?      ? 
1 1 1    0   28    5 o  275.213   9.3023  206.077   13.834   0.0000   0.0000  206.077   13.834  ?   ?   275.213   9.3023      ?      ? 
1 1 1    0   28    6 o  168.870   9.4242   77.614   8.5997   0.0000   0.0000   77.614   8.5997  ?   ?   168.870   9.4242      ?      ? 
1 1 1    0   28    7 o  427.436   11.665  499.331   26.943   0.0000   0.0000  499.331   26.943  ?   ?   427.436   11.665      ?      ? 
1 1 1    0   28    8 o   68.301   20.002   13.308   7.8554   0.0000   0.0000   13.308   7.8554  ?   ?    68.301   20.002      ?      ? 
1 1 1    0   28    9 o   38.365   17.307  -3.6562   7.6021   0.0000   0.0000  -3.6562   7.6021  ?   ?    38.365   17.307      ?      ? 
1 1 1    0   28   10 o   85.466   15.127   20.152   6.5035   24.550   12.039   18.340   7.7280   91.278   24.066   79.655   18.334 11.62325 30.25430 
1 1 1    0   28   11 o  255.361   7.3319  180.513   9.2071  171.667   16.770  184.330   11.016  250.271   12.400  260.452   7.8272 -10.18100 14.66375 
1 1 1    0   28   12 o   87.535   14.234   23.364   6.5338   16.525   11.139   26.951   8.0674   76.265   24.127   98.806   15.110 -22.54118 28.46818 
1 1 1    0   28   13 o  125.878   11.701   44.268   7.8638   51.918   11.119   36.612   11.123  137.130   15.005  114.626   17.958 22.50407 23.40212 
1 1 1    0   28   14 o  153.294   14.628   64.841   12.117   0.0000   0.0000   64.841   12.117  ?   ?   153.294   14.628      ?      ? 
1 1 1    0   28   15 o  156.152   10.246   66.831   8.6149   60.396   11.662   74.559   12.781  147.912   14.591  164.391   14.388 -16.47917 20.49201 
1 1 1    0   28   16 o  148.560   10.533   60.992   8.4431   56.642   11.788   65.574   12.099  143.043   15.251  154.078   14.532 -11.03523 21.06526 
1 1 1    0   28   17 o   87.188   16.727   22.415   8.2050   17.232   11.449   27.887   11.764   77.357   24.460   97.018   22.822 -19.66132 33.45350 
1 1 1    0   28   18 o  168.064   14.140   78.131   12.841   0.0000   0.0000   78.131   12.841  ?   ?   168.064   14.140      ?      ? 
1 1 1    0   28   19 o   52.478   16.144  -0.5847   8.2849  -1.4572   10.450   0.8914   13.593   47.982   21.039   56.973   24.493 -8.990120 32.28851 
1 1 1    0   28   20 o  105.658   15.509   35.990   8.9954   53.595   12.055   13.869   13.512  138.457   16.112   72.860   26.506 65.59714 31.01885 
1 1 1    0   28   21 o   82.910   16.585   20.237   8.1115   28.333   11.591   12.468   11.355   97.306   22.495   68.515   24.376 28.79095 33.16965 
1 1 1    0   28   22 o  119.353   13.187   42.129   7.9798   52.974   11.048   30.302   11.538  137.872   14.830  100.833   21.810 37.03921 26.37400 
1 1 1    0   28   23 o  277.504   10.109  211.228   15.158   0.0000   0.0000  211.228   15.158  ?   ?   277.504   10.109      ?      ? 
1 1 1    0   28   24 o  229.932   7.9042  145.455   9.7827  128.717   13.558  163.635   14.130  215.973   11.617  243.890   10.722 -27.91663 15.80837 
1 1 1    0   28   25 o  161.726   13.605   72.915   11.889   0.0000   0.0000   72.915   11.889  ?   ?   161.726   13.605      ?      ? 
1 1 1    0   28   26 o   55.673   15.119   1.6714   7.2650  -8.6401   9.5899   15.560   11.130   38.622   18.126   72.723   24.204 -34.10069 30.23898 
1 1 1    0   28   27 o  157.564   9.5579   69.386   8.1374   69.809   11.479   68.959   11.537  158.077   13.439  157.051   13.595 1.025482 19.11584 
1 1 1    0   28   28 o   56.309   15.836   6.2051   7.2071   5.7146   9.9104   6.7557   10.500   55.078   22.016   57.540   22.769 -2.461288 31.67277 
1 1 1    0   28   29 o  194.193   11.980  105.046   12.571   0.0000   0.0000  105.046   12.571  ?   ?   194.193   11.980      ?      ? 
1 1 1    0   28   30 o   58.465   14.719   5.5730   7.1739   17.911   9.8547  -8.3375   10.464   76.177   22.430   40.753   19.065 35.42371 29.43765 
1 1 1    0   28   31 o  145.883   10.400   60.442   8.1678   66.554   11.598   54.428   11.505  153.546   13.978  138.221   15.403 15.32504 20.80027 
1 1 1    0   28   32 o  191.510   12.405  102.853   12.838   0.0000   0.0000  102.853   12.838  ?   ?   191.510   12.405      ?      ? 
1 1 1    0   28   33 o  140.513   10.924   57.077   8.1078   71.538   11.626   43.384   11.313  158.938   13.537  122.088   17.148 36.85013 21.84709 
1 1 1    0   28   34 o   58.915   15.939   8.8654   7.0811   9.3780   9.6312   8.2623   10.447   59.330   22.235   58.500   22.844 0.8297729 31.87885 
1 1 1    0   28   35 o  143.027   10.743   58.818   8.2148   70.797   12.003   48.262   11.267  157.303   14.121  128.751   16.194 28.55122 21.48627 
1 1 1    0   28   36 o  158.099   10.199   71.349   8.3959   48.876   11.357   98.432   12.468  129.522   16.227  186.676   12.360 -57.15352 20.39800 
1 1 1    0   28   37 o  180.754   9.0305   92.602   8.8124   90.165   12.153   95.304   12.797  178.358   12.610  183.150   12.930 -4.792694 18.06103 
1 1 1    0   28   38 o   71.799   16.792   16.766   7.6928   20.253   10.852   13.243   10.907   78.007   23.673   65.590   23.821 12.41741 33.58345 
1 1 1    0   28   39 o  180.811   9.0264   93.995   8.7520   86.420   12.810  100.626   11.986  173.199   13.687  188.423   11.772 -15.22455 18.05288 
1 1 1    0   28   40 o  116.524   13.519   42.834   8.1967   38.449   12.075   46.582   11.163  108.545   21.347  124.503   16.592 -15.95829 27.03708 
1 1 1    0   28   41 o  283.501   9.8828  226.663   15.140   0.0000   0.0000  226.663   15.140  ?   ?   283.501   9.8828      ?      ? 
1 1 1    0   28   42 o   89.389   16.221   27.517   7.9764   22.650   11.661   31.797   10.934   80.319   24.575   98.459   21.180 -18.14063 32.44297 
1 1 1    0   28   43 o   63.837   18.684   6.4054   9.4746   25.113   18.777   0.0154   10.974   80.306   30.825   47.367   21.124 32.93975 37.36888 
1 1 1    0   28   44 o   81.631   18.323   29.465   11.035   8.1914   19.258   39.865   13.465   59.986   27.255  103.275   24.499 -43.28880 36.64690 
1 1 1    0   28   45 o   69.320   19.901   20.386   11.132   21.286   21.896   20.072   12.928   68.631   30.262   70.008   25.854 -1.376877 39.80265 
1 1 1    0   28   46 o   45.559   14.925  -3.9168   8.5796  -9.6175   11.120   4.4685   13.486   38.459   18.463   52.658   23.456 -14.19845 29.85045 
1 1 1    0   28   47 o   87.186   21.963   28.631   10.342   0.0000   0.0000   28.631   10.342  ?   ?    87.186   21.963      ?      ? 
1 1 1    0   29    1 o  224.489   8.3217  137.098   10.095   0.0000   0.0000  137.098   10.095  ?   ?   224.489   8.3217      ?      ? 
1 1 1    0   29    2 o  119.751   13.249   39.424   8.5734   0.0000   0.0000   39.424   8.5734  ?   ?   119.751   13.249      ?      ? 
1 1 1    0   29    3 o  270.330   13.930  201.288   20.349   0.0000   0.0000  201.288   20.349  ?   ?   270.330   13.930      ?      ? 
1 1 1    0   29    4 o   93.362   17.040   24.932   8.2800   0.0000   0.0000   24.932   8.2800  ?   ?    93.362   17.040      ?      ? 
1 1 1    0   29    5 o  283.017   9.1573  218.260   14.004   0.0000   0.0000  218.260   14.004  ?   ?   283.017   9.1573      ?      ? 
1 1 1    0   29    6 o  209.788   8.5344  119.801   9.6748   0.0000   0.0000  119.801   9.6748  ?   ?   209.788   8.5344      ?      ? 
1 1 1    0   29    7 o  149.950   11.559   61.598   9.3661   0.0000   0.0000   61.598   9.3661  ?   ?   149.950   11.559      ?      ? 
1 1 1    0   29    8 o   79.647   18.706   18.450   7.9136   0.0000   0.0000   18.450   7.9136  ?   ?    79.647   18.706      ?      ? 
1 1 1    0   29    9 o  245.904   9.4394  164.967   12.543   0.0000   0.0000  164.967   12.543  ?   ?   245.904   9.4394      ?      ? 
1 1 1    0   29   10 o  106.292   13.394   31.143   7.6931   0.0000   0.0000   31.143   7.6931  ?   ?   106.292   13.394      ?      ? 
1 1 1    0   29   11 o   61.169   14.702   9.9017   6.3433   0.0845   10.944   14.868   7.7842   50.919   21.934   71.419   19.584 -20.50019 29.40463 
1 1 1    0   29   12 o   66.468   15.047   12.775   6.2988   6.9122   10.594   15.981   7.8339   59.063   23.021   73.872   19.382 -14.80934 30.09384 
1 1 1    0   29   13 o  183.619   8.6139   90.412   7.8323   98.941   14.577   86.950   9.2868  188.905   14.280  178.332   9.6371 10.57307 17.22782 
1 1 1    0   29   14 o  194.618   12.222  104.367   12.853   0.0000   0.0000  104.367   12.853  ?   ?   194.618   12.222      ?      ? 
1 1 1    0   29   15 o  209.903   8.3000  121.480   9.3929  130.182   13.244  112.674   13.323  217.633   11.262  202.173   12.195 15.45996 16.60003 
1 1 1    0   29   16 o  203.963   8.3515  114.195   9.1851  108.796   12.502  120.526   13.539  198.800   11.638  209.127   11.981 -10.32686 16.70292 
1 1 1    0   29   18 o   74.587   17.198   16.478   8.2284   20.619   10.318   9.2410   13.639   82.878   22.473   66.295   26.040 16.58262 34.39663 
1 1 1    0   29   19 o  114.019   24.657   39.595   14.749   0.0000   0.0000   39.595   14.749  ?   ?   114.019   24.657      ?      ? 
1 1 1    0   29   20 o  126.477   13.852   45.588   8.8656   66.554   13.527   29.800   11.738  153.646   16.292   99.309   22.407 54.33689 27.70392 
1 1 1    0   29   21 o  187.405   9.6332   99.321   9.5386   76.306   13.518  122.145   13.462  164.761   15.183  210.050   11.860 -45.28902 19.26637 
1 1 1    0   29   22 o   78.167   16.272   18.751   7.6146   23.954   10.280   12.427   11.334   88.793   21.626   67.540   24.320 21.25281 32.54437 
1 1 1    0   29   23 f   56.422   15.187   4.4914   7.4097   14.286   9.9610  -7.6429   11.087   69.763   22.882   43.081   19.975 26.68179 30.37441 
1 1 1    0   29   24 o  230.803   11.058  147.377   13.791   0.0000   0.0000  147.377   13.791  ?   ?   230.803   11.058      ?      ? 
1 1 1    0   29   25 o  127.009   11.926   46.571   8.1032   51.957   11.230   40.721   11.704  135.350   15.354  118.669   18.252 16.68082 23.85136 
1 1 1    0   29   26 o   82.655   15.836   21.268   7.6565   29.594   10.710   12.563   10.950   98.568   20.763   66.742   23.917 31.82568 31.67240 
1 1 1    0   29   27 o   65.052   16.553   11.106   7.7868   17.044   10.879   4.8682   11.150   74.481   23.875   55.623   22.934 18.85825 33.10571 
1 1 1    0   29   28 o  141.706   10.449   57.589   7.8881   67.111   11.043   47.670   11.271  154.473   13.230  128.939   16.177 25.53368 20.89793 
1 1 1    0   29   29 o  187.661   8.6536   98.706   8.7728   98.421   12.256   99.006   12.563  187.460   12.099  187.863   12.375 -0.4027405 17.30717 
1 1 1    0   29   30 o  140.622   10.958   57.165   8.2584   63.787   11.530   50.187   11.835  149.686   14.254  131.559   16.647 18.12657 21.91617 
1 1 1    0   29   31 o   72.363   15.840   15.750   7.5285   25.054   10.564   6.1476   10.732   88.857   22.094   55.869   22.705 32.98758 31.68086 
1 1 1    0   29   32 o  117.543   12.997   41.476   7.9877   35.126   11.154   48.162   11.445  106.623   20.096  128.463   16.487 -21.83951 25.99327 
1 1 1    0   29   33 o  187.189   12.391   99.011   12.533   0.0000   0.0000   99.011   12.533  ?   ?   187.189   12.391      ?      ? 
1 1 1    0   29   34 o  173.961   9.4497   86.242   8.8757   84.181   12.700   88.210   12.409  171.709   13.687  176.214   13.032 -4.504379 18.89948 
1 1 1    0   29   35 o  213.195   11.606  128.368   13.370   0.0000   0.0000  128.368   13.370  ?   ?   213.195   11.606      ?      ? 
1 1 1    0   29   36 o  127.853   11.567   48.169   7.9600   42.742   10.972   54.199   11.565  119.876   16.938  135.830   15.757 -15.95402 23.13441 
1 1 1    0   29   37 o   86.504   16.240   25.029   7.7252   26.695   11.059   23.441   10.796   89.477   22.806   83.531   23.128 5.945389 32.48063 
1 1 1    0   29   38 o   50.261   15.375   2.1993   7.9283  -3.7641   11.390   7.8036   11.042   44.450   20.481   56.072   22.937 -11.62182 30.74977 
1 1 1    0   29   39 o   50.746   15.452   2.5540   7.7004   8.0197   11.742  -1.5710   10.200   57.221   23.557   44.271   20.002 12.94969 30.90363 
1 1 1    0   29   40 o  211.619   12.435  135.927   11.836  135.653   24.409  136.012   13.534  204.650   22.072  218.588   11.458 -13.93724 24.86902 
1 1 1    0   29   41 o   65.420   17.105   4.6674   11.548 -38.3333   18.751   30.946   14.658   40.553   20.297   90.288   27.539 -49.73455 34.21067 
1 1 1    0   29   42 f   59.894   18.777   8.8417   11.759   22.471   19.268   0.7543   14.843   69.534   29.504   50.254   23.234 19.27941 37.55421 
1 1 1    0   29   43 o   73.158   20.266   19.048   11.362   39.324   19.815   9.1149   13.869   88.966   32.139   57.350   24.698 31.61525 40.53258 
1 1 1    0   29   44 o   46.347   14.550   1.9889   7.3227  -0.4433   10.336   4.4401   10.376   43.810   19.929   48.883   21.206 -5.072994 29.10081 
1 1 1    0   29   45 o  108.596   13.968   41.539   7.9284   35.985   11.416   46.714   11.019   98.047   22.078  119.144   17.116 -21.09714 27.93575 
1 1 1    0   30    0 o   82.100   24.092   19.302   11.386   0.0000   0.0000   19.302   11.386  ?   ?    82.100   24.092      ?      ? 
1 1 1    0   30    1 o  125.664   12.507   43.560   8.4925   0.0000   0.0000   43.560   8.4925  ?   ?   125.664   12.507      ?      ? 
1 1 1    0   30    2 o  181.707   9.3333   90.252   9.1643   0.0000   0.0000   90.252   9.1643  ?   ?   181.707   9.3333      ?      ? 
1 1 1    0   30    3 o  281.029   8.9448  215.689   13.584   0.0000   0.0000  215.689   13.584  ?   ?   281.029   8.9448      ?      ? 
1 1 1    0   30    4 o   45.636   19.060   1.7028   7.8424   0.0000   0.0000   1.7028   7.8424  ?   ?    45.636   19.060      ?      ? 
1 1 1    0   30    5 o  239.892   8.5006  157.020   11.019   0.0000   0.0000  157.020   11.019  ?   ?   239.892   8.5006      ?      ? 
1 1 1    0   30    6 o  148.251   11.095   60.388   8.8880   0.0000   0.0000   60.388   8.8880  ?   ?   148.251   11.095      ?      ? 
1 1 1    0   30    7 o  223.725   8.4002  136.561   10.155   0.0000   0.0000  136.561   10.155  ?   ?   223.725   8.4002      ?      ? 
1 1 1    0   30    8 o   76.730   19.222   17.356   7.9533   0.0000   0.0000   17.356   7.9533  ?   ?    76.730   19.222      ?      ? 
1 1 1    0   30    9 o  305.458   13.043  258.214   21.529   0.0000   0.0000  258.214   21.529  ?   ?   305.458   13.043      ?      ? 
1 1 1    0   30   10 o  200.357   8.5423  109.607   9.2484   0.0000   0.0000  109.607   9.2484  ?   ?   200.357   8.5423      ?      ? 
1 1 1    0   30   11 o   84.882   17.542   21.017   7.7802   0.0000   0.0000   21.017   7.7802  ?   ?    84.882   17.542      ?      ? 
1 1 1    0   30   12 o   50.809   14.595   3.4757   6.4512  -5.3018   11.640   7.3672   7.7505   46.693   21.205   54.925   20.060 -8.232071 29.18991 
1 1 1    0   30   13 o   81.287   14.485   19.971   6.1906   18.187   10.502   20.921   7.6636   77.934   23.208   84.641   17.339 -6.707870 28.96952 
1 1 1    0   30   14 o  209.465   8.1282  125.486   8.7065  105.586   14.173  137.546   11.034  194.818   13.463  224.113   9.1111 -29.29518 16.25633 
1 1 1    0   30   15 o   61.404   15.079   6.7803   7.4384   19.304   10.255  -7.1230   10.805   79.823   22.699   42.985   19.856 36.83762 30.15758 
1 1 1    0   30   16 o   61.121   16.466   8.5280   7.4690   6.8286   9.7952   10.889   11.545   56.834   22.141   65.408   24.377 -8.574024 32.93106 
1 1 1    0   30   17 o   66.190   17.256   11.533   8.0328   12.595   10.114   9.7185   13.220   66.799   23.063   65.582   25.674 1.216995 34.51171 
1 1 1    0   30   18 o   92.595   17.244   26.754   8.6304   27.451   11.028   25.653   13.863   94.947   21.936   90.242   26.612 4.704720 34.48763 
1 1 1    0   30   19 o  108.219   15.093   34.874   8.9096   60.968   13.344   13.881   11.968  146.238   16.886   70.201   25.021 76.03623 30.18577 
1 1 1    0   30   20 o  186.790   9.4072   97.677   9.4944   98.063   13.360   97.282   13.495  187.210   13.206  186.369   13.401 0.8416443 18.81444 
1 1 1    0   30   21 o  116.044   13.615   40.845   8.0712   48.559   10.962   31.711   11.928  130.705   15.520  101.383   22.373 29.32167 27.22905 
1 1 1    0   30   22 o  104.725   19.391   32.880   10.569   32.880   10.569   0.0000   0.0000  104.725   19.391  ?   ?       ?      ? 
1 1 1    0   30   23 o  159.154   14.399   71.627   12.384   0.0000   0.0000   71.627   12.384  ?   ?   159.154   14.399      ?      ? 
1 1 1    0   30   24 o  100.552   15.311   31.128   8.0528   30.438   10.947   31.941   11.888   99.665   20.990  101.440   22.295 -1.775253 30.62108 
1 1 1    0   30   25 o  102.575   15.307   32.559   8.2292   27.512   11.425   38.000   11.863   93.429   22.825  111.722   20.402 -18.29285 30.61420 
1 1 1    0   30   26 o  111.929   14.361   39.037   8.2529   52.839   11.644   25.101   11.700  135.462   15.907   88.397   23.914 47.06563 28.72113 
1 1 1    0   30   27 o  116.435   12.898   40.517   7.8678   42.704   10.725   37.969   11.578  121.391   16.350  111.478   19.952 9.912102 25.79532 
1 1 1    0   30   28 o  164.334   9.8284   77.108   8.7065   71.504   12.345   82.654   12.281  158.032   14.457  170.637   13.319 -12.60428 19.65674 
1 1 1    0   30   29 o   65.296   15.373   9.4915   7.7008   24.334   11.106  -4.2523   10.687   86.566   23.250   44.025   20.118 42.54147 30.74581 
1 1 1    0   30   30 o  162.270   14.509   75.595   12.723   0.0000   0.0000   75.595   12.723  ?   ?   162.270   14.509      ?      ? 
1 1 1    0   30   31 o  147.898   10.851   63.079   8.5894   52.312   11.773   75.334   12.560  133.834   16.279  161.963   14.351 -28.12877 21.70156 
1 1 1    0   30   32 o  117.793   12.736   41.493   8.0806   40.368   10.945   42.842   11.981  116.432   17.396  119.154   18.608 -2.721695 25.47280 
1 1 1    0   30   33 o  112.462   13.776   39.068   8.1966   37.320   11.486   40.882   11.701  108.810   20.280  116.115   18.649 -7.304459 27.55116 
1 1 1    0   30   34 o   38.997   18.569 -10.2022   10.768   0.0000   0.0000 -10.2022   10.768  ?   ?    38.997   18.569      ?      ? 
1 1 1    0   30   35 o   76.303   14.991   18.888   7.8074   33.872   10.849   2.7910   11.244  102.101   20.378   50.505   21.993 51.59597 29.98232 
1 1 1    0   30   36 o   92.117   15.938   28.918   7.9197   24.523   11.056   33.550   11.350   83.854   23.472  100.380   21.568 -16.52662 31.87636 
1 1 1    0   30   37 o   57.283   17.096   4.6681   10.327 -25.1351   20.835   14.374   11.890   48.143   23.598   66.424   24.742 -18.28041 34.19128 
1 1 1    0   30   38 o  100.713   19.953   41.015   12.575   22.261   20.061   53.153   16.139   77.260   31.168  124.166   24.921 -46.90643 39.90573 
1 1 1    0   30   39 o   67.441   19.808   16.481   12.402   7.3514   19.317   22.883   16.176   60.527   27.420   74.356   28.595 -13.82980 39.61688 
1 1 1    0   30   40 o   69.783   18.269   18.809   11.892 -10.2680   19.271   36.689   15.112   48.385   23.489   91.180   27.988 -42.79579 36.53874 
1 1 1    0   30   41 o   43.462   13.921  -5.0653   7.5478 -16.1003   10.387   7.2787   10.986   33.466   16.456   53.458   22.458 -19.99170 27.84170 
1 1 1    0   30   42 o  123.305   12.948   50.478   8.6027   46.722   12.136   54.270   12.196  117.709   19.080  128.901   17.510 -11.19156 25.89700 
1 1 1    0   31    1 o  118.697   12.580   39.078   8.0686   0.0000   0.0000   39.078   8.0686  ?   ?   118.697   12.580      ?      ? 
1 1 1    0   31    2 o  260.506   8.2508  185.463   11.614   0.0000   0.0000  185.463   11.614  ?   ?   260.506   8.2508      ?      ? 
1 1 1    0   31    3 f  124.525   12.288   42.972   8.2684   0.0000   0.0000   42.972   8.2684  ?   ?   124.525   12.288      ?      ? 
1 1 1    0   31    4 o  126.490   12.117   44.321   8.2820   0.0000   0.0000   44.321   8.2820  ?   ?   126.490   12.117      ?      ? 
1 1 1    0   31    5 o   37.114   17.024  -4.7601   7.7490   0.0000   0.0000  -4.7601   7.7490  ?   ?    37.114   17.024      ?      ? 
1 1 1    0   31    6 o   51.441   19.807   5.6161   7.7683   0.0000   0.0000   5.6161   7.7683  ?   ?    51.441   19.807      ?      ? 
1 1 1    0   31    7 o   55.074   19.618   7.8753   7.3569   0.0000   0.0000   7.8753   7.3569  ?   ?    55.074   19.618      ?      ? 
1 1 1    0   31    8 o   95.951   14.820   25.874   7.6842   0.0000   0.0000   25.874   7.6842  ?   ?    95.951   14.820      ?      ? 
1 1 1    0   31    9 o  179.310   18.595   92.425   18.018   0.0000   0.0000   92.425   18.018  ?   ?   179.310   18.595      ?      ? 
1 1 1    0   31   10 o   90.477   17.153   23.979   8.0791   0.0000   0.0000   23.979   8.0791  ?   ?    90.477   17.153      ?      ? 
1 1 1    0   31   11 o   95.313   14.683   25.542   7.5624   0.0000   0.0000   25.542   7.5624  ?   ?    95.313   14.683      ?      ? 
1 1 1    0   31   12 o  176.534   9.6700   85.714   9.2245   0.0000   0.0000   85.714   9.2245  ?   ?   176.534   9.6700      ?      ? 
1 1 1    0   31   13 o   83.787   14.288   18.395   6.4742   34.324   11.125   10.238   7.9611  107.208   19.938   60.366   20.471 46.84116 28.57611 
1 1 1    0   31   14 o  118.105   11.643   37.069   6.9941   48.221   12.737   32.254   8.3688  129.236   18.238  106.974   14.478 22.26186 23.28603 
1 1 1    0   31   15 o  151.671   9.4734   66.626   7.0834   59.009   12.525   70.209   8.5890  143.831   16.115  159.510   9.9647 -15.67842 18.94671 
1 1 1    0   31   16 o  154.371   11.327   67.756   9.0321   67.107   11.235   68.941   15.187  154.547   13.453  154.194   18.227 0.3531647 22.65401 
1 1 1    0   31   17 o   80.394   18.329   19.448   8.8321   16.395   11.121   24.662   14.534   73.396   24.183   87.392   27.550 -13.99591 36.65872 
1 1 1    0   31   18 o   93.220   16.540   27.503   8.4100   32.320   11.688   22.332   12.110  102.495   21.775   83.945   24.904 18.54946 33.08094 
1 1 1    0   31   19 f  122.539   13.723   44.376   8.8311   51.216   12.874   38.297   12.137  132.821   17.937  112.257   20.773 20.56429 27.44576 
1 1 1    0   31   20 o  200.369   13.073  112.971   14.155   0.0000   0.0000  112.971   14.155  ?   ?   200.369   13.073      ?      ? 
1 1 1    0   31   21 o  116.623   13.558   39.783   8.2676   32.894   10.914   49.061   12.665  103.767   20.190  129.479   18.102 -25.71245 27.11698 
1 1 1    0   31   22 o   66.947   16.921   13.137   7.8869   16.081   10.482   9.2942   11.974   71.896   23.468   61.997   24.384 9.898460 33.84288 
1 1 1    0   31   23 o  113.659   13.650   38.471   8.1546   33.115   10.977   45.065   12.181  103.681   20.320  123.637   18.233 -19.95588 27.30077 
1 1 1    0   31   24 o  281.113   10.580  220.353   16.071   0.0000   0.0000  220.353   16.071  ?   ?   281.113   10.580      ?      ? 
1 1 1    0   31   25 o  238.341   11.356  159.364   14.625   0.0000   0.0000  159.364   14.625  ?   ?   238.341   11.356      ?      ? 
1 1 1    0   31   26 o   49.097   15.098  -1.4890   7.7361  -8.4255   10.342   7.3237   11.657   39.812   18.729   58.381   23.686 -18.56861 30.19606 
1 1 1    0   31   27 o   71.290   16.082   15.934   7.6796   23.457   10.254   6.3260   11.589   85.586   22.040   56.994   23.427 28.59150 32.16448 
1 1 1    0   31   28 o  117.494   13.672   42.080   8.4655   37.878   11.741   46.631   12.218  110.032   20.501  124.956   18.094 -14.92418 27.34381 
1 1 1    0   31   29 o   58.820   16.275   8.8696   7.6440   11.879   10.365   5.2819   11.318   63.027   23.171   54.612   22.860 8.414925 32.54995 
1 1 1    0   31   30 o   83.100   14.624   21.842   8.0008   38.221   11.138   4.3790   11.500  112.476   18.326   53.724   22.795 58.75131 29.24799 
1 1 1    0   31   31 o   75.993   17.000   19.749   7.9378   22.564   10.697   16.301   11.842   81.844   23.151   70.142   24.900 11.70152 33.99950 
1 1 1    0   31   32 o  110.324   14.882   39.908   8.5455   39.308   11.911   40.544   12.268  109.609   20.872  111.039   21.219 -1.430359 29.76376 
1 1 1    0   31   33 o   53.238   16.156   4.6640   8.3374   5.6564   12.010   3.7408   11.584   54.568   23.228   51.909   22.463 2.659294 32.31262 
1 1 1    0   31   34 o   68.284   20.584   13.172   13.321   10.320   21.261   15.016   17.093   67.373   29.758   69.195   28.447 -1.822609 41.16785 
1 1 1    0   31   35 o   51.768   17.461 -11.6866   13.388  -9.0495   20.477 -13.6554   17.693   54.735   25.931   48.800   23.390 5.935589 34.92191 
1 1 1    0   31   36 o   49.341   16.640  -9.3309   12.055  -5.1644   18.765 -12.2590   15.731   53.187   25.084   45.496   21.872 7.690903 33.28053 
1 1 1    0   31   37 o   81.005   19.011   27.821   9.3994   25.923   11.486   31.667   16.353   80.648   24.329   81.362   29.221 -0.7137527 38.02301 
1 1 1    0   31   38 o   42.899   13.956  -4.8817   7.8389   4.3924   10.957 -14.6035   11.219   49.937   21.728   35.860   17.522 14.07652 27.91292 
1 1 1    0   31   39 f   82.880   17.031   26.608   8.2238   30.869   11.469   22.098   11.799   91.164   23.218   74.597   24.924 16.56684 34.06273 
1 1 1    0   31   40 o  136.340   11.916   60.808   8.6826   51.811   12.206   70.023   12.353  124.147   18.195  148.533   15.391 -24.38580 23.83167 
1 1 1    0   32    0 o   45.038   20.618  -6.8208   11.293   0.0000   0.0000  -6.8208   11.293  ?   ?    45.038   20.618      ?      ? 
1 1 1    0   32    1 o   57.468   20.052   9.0482   7.6553   0.0000   0.0000   9.0482   7.6553  ?   ?    57.468   20.052      ?      ? 
1 1 1    0   32    2 o  193.050   9.2802  102.546   9.6809   0.0000   0.0000  102.546   9.6809  ?   ?   193.050   9.2802      ?      ? 
1 1 1    0   32    3 o  106.097   14.084   31.710   8.0746   0.0000   0.0000   31.710   8.0746  ?   ?   106.097   14.084      ?      ? 
1 1 1    0   32    4 o   85.305   18.159   21.735   8.1137   0.0000   0.0000   21.735   8.1137  ?   ?    85.305   18.159      ?      ? 
1 1 1    0   32    5 o  151.539   10.633   63.577   8.7074   0.0000   0.0000   63.577   8.7074  ?   ?   151.539   10.633      ?      ? 
1 1 1    0   32    6 o  125.176   12.513   43.793   8.4639   0.0000   0.0000   43.793   8.4639  ?   ?   125.176   12.513      ?      ? 
1 1 1    0   32    7 o   55.892   20.134   8.2449   7.7696   0.0000   0.0000   8.2449   7.7696  ?   ?    55.892   20.134      ?      ? 
1 1 1    0   32    8 o   69.503   18.739   14.556   7.1982   0.0000   0.0000   14.556   7.1982  ?   ?    69.503   18.739      ?      ? 
1 1 1    0   32    9 o   69.958   19.851   14.823   7.8520   0.0000   0.0000   14.823   7.8520  ?   ?    69.958   19.851      ?      ? 
1 1 1    0   32   10 o  197.499   8.8859  107.257   9.4832   0.0000   0.0000  107.257   9.4832  ?   ?   197.499   8.8859      ?      ? 
1 1 1    0   32   11 o  163.694   9.7819   73.973   8.6526   0.0000   0.0000   73.973   8.6526  ?   ?   163.694   9.7819      ?      ? 
1 1 1    0   32   12 o  155.461   10.254   66.889   8.6139   0.0000   0.0000   66.889   8.6139  ?   ?   155.461   10.254      ?      ? 
1 1 1    0   32   13 o  177.331   8.8836   92.461   7.8405   75.518   13.281  101.524   9.7139  162.817   15.095  191.846   9.3703 -29.02950 17.76726 
1 1 1    0   32   14 o   65.403   13.889   13.425   6.3342  -1.5759   11.154   20.566   7.6956   48.054   21.373   82.751   17.743 -34.69724 27.77761 
1 1 1    0   32   15 o  132.939   11.272   49.031   7.8032   57.703   13.281   44.459   9.6432  140.793   17.456  125.085   14.267 15.70813 22.54483 
1 1 1    0   32   16 o  188.460   10.593  102.922   10.620  114.932   14.475   88.919   15.630  201.646   13.284  175.275   16.503 26.37094 21.18529 
1 1 1    0   32   17 o  224.087   8.7326  141.091   10.538  142.950   15.595  139.529   14.295  225.101   12.821  223.074   11.859 2.027298 17.46516 
1 1 1    0   32   18 o   56.964   16.025   4.0116   7.9974  -4.9572   10.791   14.940   11.912   43.829   20.098   70.099   24.964 -26.26995 32.04905 
1 1 1    0   32   19 o  127.192   12.244   47.216   8.3730   45.026   11.201   49.991   12.605  124.226   16.686  130.158   17.922 -5.932205 24.48762 
1 1 1    0   32   20 f   58.929   15.094   6.0961   7.6435   18.784   10.276  -9.6146   11.435   76.429   23.002   41.430   19.552 34.99871 30.18893 
1 1 1    0   32   21 o  163.334   10.180   77.508   8.8499   86.964   12.109   66.667   12.966  175.170   12.793  151.499   15.838 23.67055 20.35956 
1 1 1    0   32   22 o   63.895   16.433   11.374   7.3936   7.9092   9.8984   15.748   11.120   57.020   22.245   70.769   24.194 -13.74902 32.86599 
1 1 1    0   32   23 o   45.182   14.328  -2.5843   7.4033   1.5831   9.9151  -7.8350   11.129   48.372   20.857   41.992   19.650 6.380798 28.65555 
1 1 1    0   32   24 o   50.554   14.556  -0.0401   7.4635   12.468   10.087 -15.1760   11.095   64.190   22.960   36.917   17.899 27.27266 29.11253 
1 1 1    0   32   25 o  137.900   16.200   56.059   12.072   0.0000   0.0000   56.059   12.072  ?   ?   137.900   16.200      ?      ? 
1 1 1    0   32   26 o   50.017   15.361   0.8324   7.7021  -3.2160   10.085   6.4990   11.931   43.195   19.663   56.838   23.604 -13.64263 30.72120 
1 1 1    0   32   27 o  126.467   12.360   48.287   8.3250   49.733   11.034   46.377   12.685  129.898   15.719  123.037   19.079 6.861153 24.72062 
1 1 1    0   32   28 o   98.279   15.909   32.361   8.2518   30.892   11.269   34.060   12.116   96.105   22.154  100.453   22.838 -4.348122 31.81800 
1 1 1    0   32   29 o   59.225   16.667   9.9838   8.1126   12.599   10.739   6.5074   12.382   62.651   23.479   55.799   23.663 6.851944 33.33431 
1 1 1    0   32   30 o   93.976   22.985   37.897   14.491   32.387   22.389   41.869   19.010   86.559   33.542  101.393   31.436 -14.83376 45.97066 
1 1 1    0   32   31 o   67.500   20.637   11.222   14.068   3.9279   21.127   17.034   18.857   62.961   28.583   72.039   29.776 -9.078430 41.27421 
1 1 1    0   32   32 o  108.158   21.386   48.401   14.335   28.514   21.671   63.874   19.115   83.176   32.776  133.140   27.480 -49.96358 42.77146 
1 1 1    0   32   33 o   85.609   20.701   31.401   13.328   11.806   19.830   47.545   18.000   64.375   28.571  106.843   29.964 -42.46815 41.40228 
1 1 1    0   32   34 o   43.800   14.304  -1.6717   7.8697  -4.1407   10.554   1.4198   11.810   40.590   19.039   47.011   21.353 -6.420845 28.60824 
1 1 1    0   32   35 o   61.789   16.845   13.366   7.8991   12.010   10.498   15.135   11.993   59.433   22.985   64.144   24.632 -4.710972 33.69076 
1 1 1    0   32   36 f  142.428   11.354   63.260   8.7305   60.096   12.061   66.742   12.653  138.644   16.100  146.213   16.015 -7.569565 22.70849 
1 1 1    0   32   37 f   63.228   17.067   16.106   8.2535   19.263   11.390   12.615   11.977   68.138   24.395   58.318   23.875 9.819805 34.13437 
1 1 1    0   33    1 o   73.574   19.881   16.650   8.0915   0.0000   0.0000   16.650   8.0915  ?   ?    73.574   19.881      ?      ? 
1 1 1    0   33    2 o  144.541   11.349   58.299   8.8638   0.0000   0.0000   58.299   8.8638  ?   ?   144.541   11.349      ?      ? 
1 1 1    0   33    3 o  169.838   9.9181   79.898   9.1023   0.0000   0.0000   79.898   9.1023  ?   ?   169.838   9.9181      ?      ? 
1 1 1    0   33    4 o  120.270   12.630   40.689   8.2084   0.0000   0.0000   40.689   8.2084  ?   ?   120.270   12.630      ?      ? 
1 1 1    0   33    5 o   94.688   15.347   25.708   7.8523   0.0000   0.0000   25.708   7.8523  ?   ?    94.688   15.347      ?      ? 
1 1 1    0   33    6 o   95.215   15.762   26.092   8.1096   0.0000   0.0000   26.092   8.1096  ?   ?    95.215   15.762      ?      ? 
1 1 1    0   33    7 o   62.574   19.605   11.782   7.3717   0.0000   0.0000   11.782   7.3717  ?   ?    62.574   19.605      ?      ? 
1 1 1    0   33    8 o   53.045   19.856   7.0769   7.6763   0.0000   0.0000   7.0769   7.6763  ?   ?    53.045   19.856      ?      ? 
1 1 1    0   33    9 o  132.658   11.181   49.167   8.0148   0.0000   0.0000   49.167   8.0148  ?   ?   132.658   11.181      ?      ? 
1 1 1    0   33   10 o   39.106   17.507  -2.0381   7.6158   0.0000   0.0000  -2.0381   7.6158  ?   ?    39.106   17.507      ?      ? 
1 1 1    0   33   11 f   93.779   15.078   25.287   7.6406   0.0000   0.0000   25.287   7.6406  ?   ?    93.779   15.078      ?      ? 
1 1 1    0   33   12 o  125.086   12.253   44.108   8.2818   0.0000   0.0000   44.108   8.2818  ?   ?   125.086   12.253      ?      ? 
1 1 1    0   33   13 o  100.109   14.005   28.644   7.5761   0.0000   0.0000   28.644   7.5761  ?   ?   100.109   14.005      ?      ? 
1 1 1    0   33   14 o   78.853   15.189   19.536   6.6263   22.453   9.9892   17.245   8.8550   83.843   21.833   73.864   21.123 9.979370 30.37854 
1 1 1    0   33   15 o  122.315   15.442   48.644   9.5865   64.347   13.214   31.194   13.930  148.418   16.476   96.213   26.121 52.20554 30.88315 
1 1 1    0   33   16 o   39.847   13.243  -7.6167   6.6637  -4.4752   11.790  -9.0912   8.0775   46.130   21.100   33.565   16.010 12.56517 26.48649 
1 1 1    0   33   17 o  122.334   10.859   40.790   6.8362   51.869   12.091   35.584   8.2880  133.024   16.821  111.644   13.738 21.38019 21.71819 
1 1 1    0   33   18 o   40.230   13.360  -7.7723   7.2709  -7.1876   9.4560  -8.6179   11.372   38.588   18.075   41.873   19.680 -3.285473 26.72065 
1 1 1    0   33   19 o   56.529   16.088   7.2895   7.5083   8.3227   9.7815   5.8075   11.715   57.037   22.151   56.021   23.337 1.015713 32.17630 
1 1 1    0   33   20 o   67.061   16.520   13.079   7.5850   7.1306   10.073   20.869   11.528   55.393   22.177   78.729   24.491 -23.33504 33.04017 
1 1 1    0   33   21 o  116.391   14.215   42.270   8.6335   34.526   12.043   50.460   12.384  103.052   22.275  129.730   17.666 -26.67784 28.42996 
1 1 1    0   33   22 f  107.196   14.900   36.714   8.3206   36.463   11.602   36.980   11.939  107.008   20.814  107.384   21.328 -0.3762665 29.80084 
1 1 1    0   33   23 o  129.526   12.146   49.857   8.4455   44.469   11.206   56.942   12.850  121.628   17.050  137.424   17.304 -15.79599 24.29247 
1 1 1    0   33   24 o  179.854   9.2758   93.623   8.9840   90.434   12.137   97.489   13.361  176.869   12.699  182.839   13.524 -5.969788 18.55159 
1 1 1    0   33   25 o  107.691   14.727   37.024   8.3222   24.946   11.038   52.933   12.668   84.531   23.379  130.852   17.916 -46.32085 29.45472 
1 1 1    0   33   26 o   63.141   19.796   6.4855   13.871  -5.2793   22.290   13.921   17.721   58.255   27.433   68.027   28.548 -9.771626 39.59225 
1 1 1    0   33   27 o   64.306   20.247   7.1321   14.105   8.3941   21.273   6.1419   18.843   66.081   29.445   62.532   27.797 3.548729 40.49323 
1 1 1    0   33   28 o  112.361   21.370   47.612   14.234   73.716   21.585   27.523   18.935  141.361   29.222   83.362   31.190 57.99925 42.74047 
1 1 1    0   33   29 o   89.020   22.088   32.332   14.009   49.932   20.773   17.651   18.973  107.324   32.794   70.716   29.599 36.60822 44.17619 
1 1 1    0   33   30 o   53.857   16.243   6.2272   8.9023   14.218   12.084  -3.2565   13.165   62.048   24.467   45.665   21.370 16.38289 32.48542 
1 1 1    0   33   31 o   80.037   17.529   25.725   8.3537   25.452   11.528   26.027   12.122   80.055   24.423   80.019   25.151 0.3656006E-01 35.05819 
1 1 1    0   33   32 o   68.245   16.084   14.055   8.2066   0.4653   11.058   30.717   12.244   46.237   20.864   90.254   24.484 -44.01761 32.16825 
1 1 1    0   33   33 o   43.690   14.171  -3.7147   8.0320   5.4825   11.103 -13.8126   11.634   50.649   21.954   36.730   17.924 13.91881 28.34214 
1 1 1    0   33   34 o   47.223   14.643   1.6140   7.9036   11.255   10.616 -10.3743   11.838   56.173   22.669   38.274   18.540 17.89875 29.28514 
1 1 1    0   34    0 o   55.128   22.952   3.3515   11.323   0.0000   0.0000   3.3515   11.323  ?   ?    55.128   22.952      ?      ? 
1 1 1    0   34    1 o  243.523   8.2580  163.492   10.867   0.0000   0.0000  163.492   10.867  ?   ?   243.523   8.2580      ?      ? 
1 1 1    0   34    2 o   52.740   20.136   6.8441   7.9855   0.0000   0.0000   6.8441   7.9855  ?   ?    52.740   20.136      ?      ? 
1 1 1    0   34    3 o   94.036   17.111   26.574   8.3747   0.0000   0.0000   26.574   8.3747  ?   ?    94.036   17.111      ?      ? 
1 1 1    0   34    4 o   38.025   17.257  -3.0660   7.6918   0.0000   0.0000  -3.0660   7.6918  ?   ?    38.025   17.257      ?      ? 
1 1 1    0   34    5 o  100.593   15.217   29.220   8.2717   0.0000   0.0000   29.220   8.2717  ?   ?   100.593   15.217      ?      ? 
1 1 1    0   34    6 o   46.970   19.220   3.6150   7.7565   0.0000   0.0000   3.6150   7.7565  ?   ?    46.970   19.220      ?      ? 
1 1 1    0   34    7 o   67.019   20.222   13.945   7.9352   0.0000   0.0000   13.945   7.9352  ?   ?    67.019   20.222      ?      ? 
1 1 1    0   34    8 o   50.257   19.319   5.9758   7.3819   0.0000   0.0000   5.9758   7.3819  ?   ?    50.257   19.319      ?      ? 
1 1 1    0   34    9 o   68.817   19.651   14.761   7.6699   0.0000   0.0000   14.761   7.6699  ?   ?    68.817   19.651      ?      ? 
1 1 1    0   34   10 o   56.577   20.140   9.1199   7.7525   0.0000   0.0000   9.1199   7.7525  ?   ?    56.577   20.140      ?      ? 
1 1 1    0   34   11 o   55.421   19.723   8.7479   7.4344   0.0000   0.0000   8.7479   7.4344  ?   ?    55.421   19.723      ?      ? 
1 1 1    0   34   12 o   30.752   14.912 -11.3045   7.7099   0.0000   0.0000 -11.3045   7.7099  ?   ?    30.752   14.912      ?      ? 
1 1 1    0   34   13 f   93.412   16.951   26.491   8.2411   0.0000   0.0000   26.491   8.2411  ?   ?    93.412   16.951      ?      ? 
1 1 1    0   34   14 o  132.588   18.866   53.436   13.517   0.0000   0.0000   53.436   13.517  ?   ?   132.588   18.866      ?      ? 
1 1 1    0   34   15 o  114.612   12.402   40.581   7.1763   35.180   11.276   44.258   9.3037  105.376   20.541  123.847   13.902 -18.47057 24.80308 
1 1 1    0   34   16 o  101.798   14.299   33.015   7.0278   31.171   12.870   33.799   8.3889   95.687   24.716  107.909   14.387 -12.22218 28.59847 
1 1 1    0   34   17 o  113.020   12.827   36.446   7.3901   46.441   13.326   32.006   8.8810  122.006   20.213  104.034   15.798 17.97249 25.65383 
1 1 1    0   34   18 o   61.217   16.229   11.046   6.9472   13.446   12.023   9.8437   8.5122   65.067   24.740   57.368   21.012 7.698624 32.45852 
1 1 1    0   34   19 o  104.619   14.671   34.594   8.1494   20.076   10.704   54.615   12.570   75.775   23.604  133.463   17.430 -57.68777 29.34208 
1 1 1    0   34   20 o   54.892   15.597   2.7422   7.8632  -8.1949   10.347   17.691   12.097   38.906   18.432   70.878   25.166 -31.97233 31.19452 
1 1 1    0   34   21 o   62.240   18.731   8.7220   11.706 -13.9527   23.798   15.958   13.444   55.730   26.820   68.750   26.156 -13.02030 37.46246 
1 1 1    0   34   22 o   43.702   15.447 -39.7254   14.830 -46.0135   23.498 -35.5631   19.118   45.167   22.623   42.236   21.039 2.930668 30.89420 
1 1 1    0   34   23 f   84.338   22.596   23.102   15.455   50.563   23.859   3.2523   20.285  106.826   35.433   61.850   28.051 44.97642 45.19228 
1 1 1    0   34   24 o   48.080   16.613 -25.3848   14.702 -46.6892   23.103 -10.8874   19.058   44.362   22.251   51.798   24.676 -7.435566 33.22638 
1 1 1    0   34   25 o   75.671   21.127   21.867   14.631  -0.0719   22.588   37.725   19.204   59.366   27.848   91.976   31.778 -32.61027 42.25391 
1 1 1    0   34   26 o   43.778   14.180  -5.0121   8.2571   6.9878   11.268 -18.9289   12.135   52.385   22.404   35.171   17.387 17.21384 28.35915 
1 1 1    0   34   27 o   38.555   13.022  -8.2507   7.6995  -4.0098   10.563 -13.0578   11.246   40.838   19.121   36.271   17.684 4.566437 26.04445 
1 1 1    0   34   28 o  119.990   13.891   47.814   8.7520   42.635   12.306   53.115   12.450  111.188   21.256  128.791   17.890 -17.60245 27.78223 
1 1 1    0   34   29 o   73.455   17.324   20.361   8.2439   14.351   11.051   27.904   12.380   62.742   23.751   84.169   25.227 -21.42763 34.64840 
1 1 1    0   34   30 f   50.825   15.606   4.0694   8.3481  -4.4347   11.430   13.793   12.222   41.550   19.590   60.099   24.299 -18.54859 31.21217 
1 1 1    0   35    1 o   78.061   19.140   19.225   8.0115   0.0000   0.0000   19.225   8.0115  ?   ?    78.061   19.140      ?      ? 
1 1 1    0   35    2 o  131.706   12.389   49.418   8.8174   0.0000   0.0000   49.418   8.8174  ?   ?   131.706   12.389      ?      ? 
1 1 1    0   35    3 o  140.621   11.850   56.096   9.0047   0.0000   0.0000   56.096   9.0047  ?   ?   140.621   11.850      ?      ? 
1 1 1    0   35    4 o  138.729   11.760   54.575   8.8159   0.0000   0.0000   54.575   8.8159  ?   ?   138.729   11.760      ?      ? 
1 1 1    0   35    5 o   61.873   20.908   11.888   8.3042   0.0000   0.0000   11.888   8.3042  ?   ?    61.873   20.908      ?      ? 
1 1 1    0   35    6 o  111.961   14.573   36.514   8.8163   0.0000   0.0000   36.514   8.8163  ?   ?   111.961   14.573      ?      ? 
1 1 1    0   35    7 o   71.445   20.187   16.455   8.1379   0.0000   0.0000   16.455   8.1379  ?   ?    71.445   20.187      ?      ? 
1 1 1    0   35    8 o  109.298   14.462   34.919   8.5415   0.0000   0.0000   34.919   8.5415  ?   ?   109.298   14.462      ?      ? 
1 1 1    0   35    9 o   75.048   19.866   18.296   8.1827   0.0000   0.0000   18.296   8.1827  ?   ?    75.048   19.866      ?      ? 
1 1 1    0   35   10 o   38.081   17.256  -2.2171   7.6563   0.0000   0.0000  -2.2171   7.6563  ?   ?    38.081   17.256      ?      ? 
1 1 1    0   35   11 o   98.571   15.697   29.117   8.3610   0.0000   0.0000   29.117   8.3610  ?   ?    98.571   15.697      ?      ? 
1 1 1    0   35   12 o  153.480   11.431   67.386   9.4803   0.0000   0.0000   67.386   9.4803  ?   ?   153.480   11.431      ?      ? 
1 1 1    0   35   13 o   72.689   25.824   18.903   12.739   0.0000   0.0000   18.903   12.739  ?   ?    72.689   25.824      ?      ? 
1 1 1    0   35   14 o   48.713   19.767   5.1118   8.1206   0.0000   0.0000   5.1118   8.1206  ?   ?    48.713   19.767      ?      ? 
1 1 1    0   35   15 o   41.392   18.489  -0.9402   8.4432   0.0000   0.0000  -0.9402   8.4432  ?   ?    41.392   18.489      ?      ? 
1 1 1    0   35   16 f   83.315   24.535   24.328   11.790   0.0000   0.0000   24.328   11.790  ?   ?    83.315   24.535      ?      ? 
1 1 1    0   35   17 o  133.923   15.269   53.052   11.050   0.0000   0.0000   53.052   11.050  ?   ?   133.923   15.269      ?      ? 
1 1 1    0   35   18 o   76.169   23.821   20.055   10.889   0.0000   0.0000   20.055   10.889  ?   ?    76.169   23.821      ?      ? 
1 1 1    0   35   19 o  110.419   21.261   40.327   12.225   0.0000   0.0000   40.327   12.225  ?   ?   110.419   21.261      ?      ? 
1 1 1    0   35   20 o  160.753   26.738   96.892   23.226   0.0000   0.0000   96.892   23.226  ?   ?   160.753   26.738      ?      ? 
1 1 1    0   35   21 o   61.344   18.773   10.825   10.464   5.2644   12.428   24.369   19.397   51.538   22.758   71.151   29.863 -19.61251 37.54692 
1 1 1    0   35   22 o   50.918   15.799   4.1066   8.5484  -2.3637   11.708   11.495   12.511   43.848   20.397   57.988   24.134 -14.13985 31.59853 
1 1 1    0   35   23 o  108.816   14.750   40.068   8.4063   26.185   11.281   57.400   12.605   83.379   23.841  134.253   17.376 -50.87416 29.50096 
1 1 1    0   35   24 o  105.209   22.249   39.096   12.254   0.0000   0.0000   39.096   12.254  ?   ?   105.209   22.249      ?      ? 
1 1 1    0   35   25 o   40.024   13.438  -7.5549   7.9245 -12.9963   11.028  -1.7465   11.394   35.968   17.530   44.080   20.372 -8.112225 26.87592 
1 1 1    0   35   26 o   61.582   15.880   12.802   7.9718   24.796   11.203   0.5002   11.346   78.044   24.122   45.120   20.660 32.92424 31.76031 
1 1 1    0   36    0 o   50.518   22.532  -2.3094   12.489   0.0000   0.0000  -2.3094   12.489  ?   ?    50.518   22.532      ?      ? 
1 1 1    0   36    1 o   52.696   20.391   7.3237   8.2653   0.0000   0.0000   7.3237   8.2653  ?   ?    52.696   20.391      ?      ? 
1 1 1    0   36    2 f   78.612   20.005   20.118   8.5190   0.0000   0.0000   20.118   8.5190  ?   ?    78.612   20.005      ?      ? 
1 1 1    0   36    3 o   96.091   17.556   28.675   8.7801   0.0000   0.0000   28.675   8.7801  ?   ?    96.091   17.556      ?      ? 
1 1 1    0   36    4 o   94.833   17.938   28.087   8.8555   0.0000   0.0000   28.087   8.8555  ?   ?    94.833   17.938      ?      ? 
1 1 1    0   36    5 o  103.588   15.468   31.830   8.6583   0.0000   0.0000   31.830   8.6583  ?   ?   103.588   15.468      ?      ? 
1 1 1    0   36    6 o   80.043   20.327   20.906   8.8085   0.0000   0.0000   20.906   8.8085  ?   ?    80.043   20.327      ?      ? 
1 1 1    0   36    7 o  249.508   8.2419  172.847   11.112   0.0000   0.0000  172.847   11.112  ?   ?   249.508   8.2419      ?      ? 
1 1 1    0   36    8 o   72.139   21.587   17.300   9.0704   0.0000   0.0000   17.300   9.0704  ?   ?    72.139   21.587      ?      ? 
1 1 1    0   36    9 o   44.513   19.446   0.9869   8.8542   0.0000   0.0000   0.9869   8.8542  ?   ?    44.513   19.446      ?      ? 
1 1 1    0   36   10 o   30.946   15.492 -26.2257   10.954   0.0000   0.0000 -26.2257   10.954  ?   ?    30.946   15.492      ?      ? 
1 1 1    0   36   11 o   54.557   23.022   6.2810   11.628   0.0000   0.0000   6.2810   11.628  ?   ?    54.557   23.022      ?      ? 
1 1 1    0   36   13 o   42.440   19.521  -2.2472   10.287   0.0000   0.0000  -2.2472   10.287  ?   ?    42.440   19.521      ?      ? 
1 1 1    0   36   14 o   87.880   22.010   28.257   10.429   0.0000   0.0000   28.257   10.429  ?   ?    87.880   22.010      ?      ? 
1 1 1    0   36   15 f   55.077   21.666   10.183   9.4550   0.0000   0.0000   10.183   9.4550  ?   ?    55.077   21.666      ?      ? 
1 1 1    0   36   16 o   31.121   15.147 -10.7498   8.1540   0.0000   0.0000 -10.7498   8.1540  ?   ?    31.121   15.147      ?      ? 
1 1 1    0   36   17 o  109.089   13.499   39.368   7.4096   38.514   12.206   39.867   9.3241  104.124   22.361  114.055   15.129 -9.931175 26.99830 
1 1 1    0   36   18 o   85.498   15.930   27.442   7.4744   22.770   12.674   29.933   9.2550   75.754   25.829   95.241   18.651 -19.48615 31.85910 
1 1 1    0   36   19 o   56.282   15.299   9.9896   7.2921  -0.5631   12.299   15.710   9.0553   46.736   21.441   65.828   21.828 -19.09203 30.59703 
1 1 1    0   36   20 o  114.333   15.138   53.559   8.1793   29.820   14.456   64.737   9.9199   81.510   27.586  147.156   12.475 -65.64645 30.27569 
1 1 1    0   36   21 o  147.658   12.850   73.237   10.233   72.095   14.800   74.283   14.164  145.502   18.824  149.815   17.497 -4.312683 25.69972 
1 1 1    0   37    1 o   50.490   23.138   1.8556   14.270   0.0000   0.0000   1.8556   14.270  ?   ?    50.490   23.138      ?      ? 
1 1 1    0   37    2 o   97.324   23.834   35.815   12.434   0.0000   0.0000   35.815   12.434  ?   ?    97.324   23.834      ?      ? 
1 1 1    0   37    3 o   39.836   19.044  -8.2631   11.560   0.0000   0.0000  -8.2631   11.560  ?   ?    39.836   19.044      ?      ? 
1 1 1    0   37    4 o   51.114   22.395   4.9518   11.820   0.0000   0.0000   4.9518   11.820  ?   ?    51.114   22.395      ?      ? 
1 1 1    0   37    5 o   67.808   24.501   17.621   11.517   0.0000   0.0000   17.621   11.517  ?   ?    67.808   24.501      ?      ? 
1 1 1    0   37    6 o   76.598   24.497   22.596   11.459   0.0000   0.0000   22.596   11.459  ?   ?    76.598   24.497      ?      ? 
1 1 1    0   37    7 o   44.333   20.407  -2.0354   11.270   0.0000   0.0000  -2.0354   11.270  ?   ?    44.333   20.407      ?      ? 
1 1 1    0   37    8 o   55.205   23.008   8.4246   11.394   0.0000   0.0000   8.4246   11.394  ?   ?    55.205   23.008      ?      ? 
1 1 1    0   37    9 o   45.131   19.405   3.0915   8.5339   0.0000   0.0000   3.0915   8.5339  ?   ?    45.131   19.405      ?      ? 
1 1 1    0   37   10 o   75.391   21.024   20.150   8.8872   0.0000   0.0000   20.150   8.8872  ?   ?    75.391   21.024      ?      ? 
1 1 1    0   37   11 o   50.198   22.066   4.5534   11.557   0.0000   0.0000   4.5534   11.557  ?   ?    50.198   22.066      ?      ? 
1 1 1    0   37   12 o   45.158   19.165   4.1774   8.1324   0.0000   0.0000   4.1774   8.1324  ?   ?    45.158   19.165      ?      ? 
1 1 1    0   37   13 o   66.703   20.765   16.448   8.2846   0.0000   0.0000   16.448   8.2846  ?   ?    66.703   20.765      ?      ? 
1 1 1    0   37   14 o  109.605   14.113   37.239   8.3585   0.0000   0.0000   37.239   8.3585  ?   ?   109.605   14.113      ?      ? 
1 1 1    1    0    2 f   2.8699   1.3411  -0.0184   0.0764  -0.0184   0.0764  -0.0184   0.0764   2.8699   1.8966   2.8699   1.8966 0.000000 0.000000 
1 1 1    1    0    4 o  1302.80   15.489  4591.77  154.105  4591.77  154.105  4591.77  154.105  1302.80   21.904  1302.80   21.904 0.000000 0.000000 
1 1 1    1    0    5 o  203.345   3.3196  111.900   5.1522  111.900   5.1522  111.900   5.1522  203.345   4.6946  203.345   4.6946 0.000000 0.000000 
1 1 1    1    0    6 o  220.535   3.4823  131.609   5.8622  131.609   5.8622  131.609   5.8622  220.535   4.9247  220.535   4.9247 0.000000 0.000000 
1 1 1    1    0    7 o  597.792   7.3940  966.636   33.754  966.636   33.754  966.636   33.754  597.792   10.457  597.792   10.457 0.000000 0.000000 
1 1 1    1    0    8 f  108.605   2.8906   32.004   2.3913   32.004   2.3913   32.004   2.3913  108.605   4.0879  108.605   4.0879 0.000000 0.000000 
1 1 1    1    0    9 o  482.116   6.1310  628.702   22.572  628.702   22.572  628.702   22.572  482.116   8.6706  482.116   8.6706 0.000000 0.000000 
1 1 1    1    0   10 f  947.695   11.385  2430.12   82.397  2430.12   82.397  2430.12   82.397  947.695   16.100  947.695   16.100 0.000000 0.000000 
1 1 1    1    0   11 o  1422.62   16.902  5480.02  183.639  5480.02  183.639  5480.02  183.639  1422.62   23.904  1422.62   23.904 0.000000 0.000000 
1 1 1    1    0   12 o  290.748   4.2136  228.702   9.3531  228.702   9.3531  228.702   9.3531  290.748   5.9589  290.748   5.9589 0.000000 0.000000 
1 1 1    1    0   13 o  1159.88   13.847  3640.49  122.655  3640.49  122.655  3640.49  122.655  1159.88   19.582  1159.88   19.582 0.000000 0.000000 
1 1 1    1    0   14 o  1696.80   20.117  7797.24  260.683  7797.24  260.683  7797.24  260.683  1696.80   28.449  1696.80   28.449 0.000000 0.000000 
1 1 1    1    0   15 o  1411.55   16.790  5394.14  180.994  5394.14  180.994  5394.14  180.994  1411.55   23.744  1411.55   23.744 0.000000 0.000000 
1 1 1    1    0   16 o  139.621   3.3909   52.859   3.6084   52.859   3.6084   52.859   3.6084  139.621   4.7955  139.621   4.7955 0.000000 0.000000 
1 1 1    1    0   17 o  179.127   3.5402   86.901   4.8376   86.901   4.8376   86.901   4.8376  179.127   5.0067  179.127   5.0067 0.000000 0.000000 
1 1 1    1    0   18 o  324.198   4.6240  284.355   11.445  284.355   11.445  284.355   11.445  324.198   6.5393  324.198   6.5393 0.000000 0.000000 
1 1 1    1    0   19 o  2216.28   26.302 13357.62  445.194 13357.62  445.194 13357.62  445.194  2216.28   37.197  2216.28   37.197 0.000000 0.000000 
1 1 1    1    0   20 o  993.334   11.952  2672.25   90.668  2672.25   90.668  2672.25   90.668  993.334   16.903  993.334   16.903 0.000000 0.000000 
1 1 1    1    0   21 o   98.979   4.3112   26.775   3.2326   26.775   3.2326   26.775   3.2326   98.979   6.0970   98.979   6.0970 0.000000 0.000000 
1 1 1    1    0   22 o   53.240   7.2710   8.4651   2.6403   8.4651   2.6403   8.4651   2.6403   53.240   10.283   53.240   10.283 0.000000 0.000000 
1 1 1    1    0   23 o  1008.61   12.142  2756.04   93.527  2756.04   93.527  2756.04   93.527  1008.61   17.171  1008.61   17.171 0.000000 0.000000 
1 1 1    1    0   24 o  800.212   9.7587  1733.84   59.636  1733.84   59.636  1733.84   59.636  800.212   13.801  800.212   13.801 0.000000 0.000000 
1 1 1    1    0   25 o  146.650   3.9795   58.376   4.4449   58.376   4.4449   58.376   4.4449  146.650   5.6279  146.650   5.6279 0.000000 0.000000 
1 1 1    1    0   26 o  322.535   4.7528  281.522   11.703  281.522   11.703  281.522   11.703  322.535   6.7215  322.535   6.7215 0.000000 0.000000 
1 1 1    1    0   27 o   78.590   5.5677   17.191   3.2669   17.191   3.2669   17.191   3.2669   78.590   7.8740   78.590   7.8740 0.000000 0.000000 
1 1 1    1    0   28 o  266.143   4.3590  191.729   8.8547  191.729   8.8547  191.729   8.8547  266.143   6.1645  266.143   6.1645 0.000000 0.000000 
1 1 1    1    0   29 o  376.234   5.2865  383.016   15.186  383.016   15.186  383.016   15.186  376.234   7.4762  376.234   7.4762 0.000000 0.000000 
1 1 1    1    0   32 o  413.894   8.2280  464.189   25.978  464.189   25.978  464.189   25.978  413.894   11.636  413.894   11.636 0.000000 0.000000 
1 1 1    1    0   33 o   98.499   6.3429   26.868   4.6834   26.868   4.6834   26.868   4.6834   98.499   8.9702   98.499   8.9702 0.000000 0.000000 
1 1 1    1    0   34 o  234.493   4.6857  148.949   8.3815  148.949   8.3815  148.949   8.3815  234.493   6.6266  234.493   6.6266 0.000000 0.000000 
1 1 1    1    0   35 o   79.691   9.4850   18.562   5.2846   18.562   5.2846   18.562   5.2846   79.691   13.414   79.691   13.414 0.000000 0.000000 
1 1 1    1    0   36 o  663.355   8.3414  1190.81   42.255  1190.81   42.255  1190.81   42.255  663.355   11.796  663.355   11.796 0.000000 0.000000 
1 1 1    1    0   37 o  1732.89   20.648  8157.09  273.264  8157.09  273.264  8157.09  273.264  1732.89   29.201  1732.89   29.201 0.000000 0.000000 
1 1 1    1    0   38 o  1877.41   22.378  9589.06  320.848  9589.06  320.848  9589.06  320.848  1877.41   31.647  1877.41   31.647 0.000000 0.000000 
1 1 1    1    0   39 o  948.542   11.551  2436.94   83.674  2436.94   83.674  2436.94   83.674  948.542   16.336  948.542   16.336 0.000000 0.000000 
1 1 1    1    0   40 o  998.591   12.133  2701.94   92.528  2701.94   92.528  2701.94   92.528  998.591   17.159  998.591   17.159 0.000000 0.000000 
1 1 1    1    0   41 o  634.846   11.476  1093.02   55.592  1093.02   55.592  1093.02   55.592  634.846   16.229  634.846   16.229 0.000000 0.000000 
1 1 1    1    0   42 o  302.886   5.6107  248.507   12.967  248.507   12.967  248.507   12.967  302.886   7.9347  302.886   7.9347 0.000000 0.000000 
1 1 1    1    0   43 o   64.023   19.297   15.806   9.6112   15.806   9.6112   15.806   9.6112   64.023   27.290   64.023   27.290 0.000000 0.000000 
1 1 1    1    0   44 o  464.770   6.4956  584.870   23.050  584.870   23.050  584.870   23.050  464.770   9.1862  464.770   9.1862 0.000000 0.000000 
1 1 1    1    0   45 o  590.227   7.6662  943.658   34.552  943.658   34.552  943.658   34.552  590.227   10.842  590.227   10.842 0.000000 0.000000 
1 1 1    1    0   46 o  365.631   5.7147  362.076   15.950  362.076   15.950  362.076   15.950  365.631   8.0819  365.631   8.0819 0.000000 0.000000 
1 1 1    1    0   47 o  934.673   11.453  2373.85   81.750  2373.85   81.750  2373.85   81.750  934.673   16.197  934.673   16.197 0.000000 0.000000 
1 1 1    1    0   48 o   81.314   12.776   20.391   6.9385   20.391   6.9385   20.391   6.9385   81.314   18.068   81.314   18.068 0.000000 0.000000 
1 1 1    1    0   49 o  471.597   6.5476  602.888   23.577  602.888   23.577  602.888   23.577  471.597   9.2597  471.597   9.2597 0.000000 0.000000 
1 1 1    1    0   50 o   39.701   15.436   6.0176   6.7649   6.0176   6.7649   6.0176   6.7649   39.701   21.830   39.701   21.830 0.000000 0.000000 
1 1 1    1    0   51 o  222.069   5.4809  133.987   9.2755  133.987   9.2755  133.987   9.2755  222.069   7.7511  222.069   7.7511 0.000000 0.000000 
1 1 1    1    0   52 o  620.833   8.0353  1047.75   38.094  1047.75   38.094  1047.75   38.094  620.833   11.364  620.833   11.364 0.000000 0.000000 
1 1 1    1    0   53 o   71.754   14.501   17.120   6.8917   17.120   6.8917   17.120   6.8917   71.754   20.507   71.754   20.507 0.000000 0.000000 
1 1 1    1    0   54 o  280.191   5.4200  213.224   11.586  213.224   11.586  213.224   11.586  280.191   7.6650  280.191   7.6650 0.000000 0.000000 
1 1 1    1    0   55 o  273.603   5.4613  203.473   11.398  203.473   11.398  203.473   11.398  273.603   7.7235  273.603   7.7235 0.000000 0.000000 
1 1 1    1    0   56 o  206.446   5.6799  116.187   8.9301  116.187   8.9301  116.187   8.9301  206.446   8.0326  206.446   8.0326 0.000000 0.000000 
1 1 1    1    0   57 o  183.878   5.9727   92.429   8.3525   92.429   8.3525   92.429   8.3525  183.878   8.4467  183.878   8.4467 0.000000 0.000000 
1 1 1    1    0   58 f  112.740   12.990   37.860   10.299   37.860   10.299   37.860   10.299  112.740   18.370  112.740   18.370 0.000000 0.000000 
1 1 1    1    0   61 o  167.257   6.5815   77.088   8.3526   77.088   8.3526   77.088   8.3526  167.257   9.3076  167.257   9.3076 0.000000 0.000000 
1 1 1    1    0   62 o  185.196   6.3144   94.330   8.8891   94.330   8.8891   94.330   8.8891  185.196   8.9299  185.196   8.9299 0.000000 0.000000 
1 1 1    1    0   63 o  222.135   5.9930  135.322   10.140  135.322   10.140  135.322   10.140  222.135   8.4753  222.135   8.4753 0.000000 0.000000 
1 1 1    1    0   64 o  150.257   7.3914   62.958   8.3928   62.958   8.3928   62.958   8.3928  150.257   10.453  150.257   10.453 0.000000 0.000000 
1 1 1    1    0   65 o  111.048   10.386   36.195   8.3842   36.195   8.3842   36.195   8.3842  111.048   14.688  111.048   14.688 0.000000 0.000000 
1 1 1    1    0   66 o  347.626   6.0997  332.554   16.181  332.554   16.181  332.554   16.181  347.626   8.6263  347.626   8.6263 0.000000 0.000000 
1 1 1    1    0   67 o   95.900   13.875   29.272   8.9898   29.272   8.9898   29.272   8.9898   95.900   19.622   95.900   19.622 0.000000 0.000000 
1 1 1    1    0   68 o   92.713   14.709   28.729   9.0974   28.729   9.0974   28.729   9.0974   92.713   20.801   92.713   20.801 0.000000 0.000000 
1 1 1    1    0   69 o  174.079   7.3955   85.294   9.7568   85.294   9.7568   85.294   9.7568  174.079   10.459  174.079   10.459 0.000000 0.000000 
1 1 1    1    0   70 f   47.455   17.411   11.147   8.1756   11.147   8.1756   11.147   8.1756   47.455   24.622   47.455   24.622 0.000000 0.000000 
1 1 1    1    1    0 o  1554.76   26.023  6536.72  218.626  6536.72  218.626   0.0000   0.0000  1554.76   26.023  ?   ?       ?      ? 
1 1 1    1    1    1 o  1933.24   28.095 10059.66  274.372 10283.78  485.679  9954.61  332.515  1948.28   46.133  1918.20   32.080 30.07495 56.19023 
1 1 1    1    1    3 o  483.490   6.1167  630.792   15.965  650.346   23.217  613.255   21.988  490.586   8.7580  476.393   8.5414 14.19366 12.23345 
1 1 1    1    1    4 o  1484.97   17.598  5964.66  141.178  5895.67  197.219  6037.16  202.183  1476.18   24.724  1493.77   25.048 -17.58179 35.19506 
1 1 1    1    1    5 o  1111.86   13.270  3342.51   79.695  3288.21  110.835  3400.64  114.675  1102.53   18.604  1121.19   18.928 -18.66760 26.53973 
1 1 1    1    1    6 o  547.549   6.8283  810.062   20.197  823.182   29.009  797.719   28.137  551.848   9.7280  543.250   9.5849 8.598389 13.65662 
1 1 1    1    1    7 o  402.157   5.2621  436.906   11.432  430.271   15.950  443.917   16.395  399.018   7.3972  405.295   7.4861 -6.277069 10.52430 
1 1 1    1    1    8 o  1292.04   15.363  4517.79  107.258  4538.93  152.410  4497.06  150.971  1295.02   21.779  1289.05   21.674 5.976440 30.72627 
1 1 1    1    1    9 o  603.013   7.4573  982.718   24.296  992.730   34.696  973.086   34.034  606.024   10.595  600.001   10.497 6.023315 14.91468 
1 1 1    1    1   10 o  1157.79   13.813  3628.11   86.416  3640.25  122.649  3616.13  121.777  1159.71   19.572  1155.86   19.497 3.841309 27.62589 
1 1 1    1    1   11 o  201.535   3.4723  109.749   3.7815  109.178   5.3381  110.325   5.3575  201.008   4.9146  202.062   4.9067 -1.053757 6.944687 
1 1 1    1    1   12 o  697.539   8.5365  1314.42   32.158  1341.57   46.435  1289.39   44.578  704.453   12.199  690.626   11.945 13.82617 17.07302 
1 1 1    1    1   13 o  1167.08   13.926  3684.18   87.799  3733.75  125.903  3637.25  122.501  1174.71   19.834  1159.45   19.552 15.25598 27.85122 
1 1 1    1    1   14 o  535.053   6.7395  773.422   19.479  786.012   27.981  761.584   27.134  539.274   9.6020  530.831   9.4596 8.443298 13.47900 
1 1 1    1    1   15 o  690.285   8.4654  1288.05   31.574  1278.22   44.321  1298.18   44.991  687.613   11.928  692.958   12.015 -5.344788 16.93073 
1 1 1    1    1   16 o  777.495   9.4552  1633.94   39.710  1660.94   57.081  1608.62   55.280  783.711   13.479  771.279   13.264 12.43286 18.91031 
1 1 1    1    1   17 o  639.646   7.9096  1106.06   27.337  1098.02   38.388  1114.33   38.939  637.290   11.147  642.001   11.224 -4.711670 15.81924 
1 1 1    1    1   18 o  1247.53   14.878  4214.33  100.269  4156.27  139.764  4275.90  143.930  1238.71   20.880  1256.36   21.201 -17.65039 29.75663 
1 1 1    1    1   19 o  367.322   5.0379  364.686   9.9993  366.472   14.218  362.938   14.066  368.212   7.1458  366.433   7.1036 1.778778 10.07587 
1 1 1    1    1   20 o  273.054   4.2069  201.521   6.2071  200.570   8.7781  202.471   8.7783  272.410   5.9634  273.698   5.9354 -1.288177 8.413713 
1 1 1    1    1   21 o  187.234   3.7483   94.664   3.7907   91.504   5.2728   98.045   5.4534  184.002   5.3031  190.465   5.2986 -6.463226 7.496570 
1 1 1    1    1   22 o  637.029   7.9142  1098.04   27.243  1099.86   38.588  1096.23   38.467  637.555   11.201  636.504   11.184 1.051331 15.82831 
1 1 1    1    1   23 o  747.058   9.1502  1511.03   36.938  1506.88   52.087  1515.23   52.390  746.029   12.921  748.088   12.960 -2.058960 18.30037 
1 1 1    1    1   24 o  563.980   7.1254  860.328   21.711  849.534   30.338  871.659   31.083  560.359   10.019  567.601   10.134 -7.241272 14.25088 
1 1 1    1    1   25 o  389.585   5.3333  410.410   11.227  408.126   15.843  412.715   15.913  388.495   7.5469  390.674   7.5379 -2.178711 10.66659 
1 1 1    1    1   26 o  632.709   7.8924  1083.43   26.983  1078.47   37.993  1088.47   38.328  631.252   11.138  634.166   11.185 -2.914429 15.78480 
1 1 1    1    1   27 f  725.697   8.9326  1425.83   35.028  1430.81   49.708  1420.92   49.368  726.953   12.654  724.442   12.611 2.511658 17.86528 
1 1 1    1    1   28 o   94.459   5.0651   24.130   2.5844   23.757   3.6877   24.489   3.6229   93.742   7.2800   95.175   7.0443 -1.433907 10.13019 
1 1 1    1    1   29 o  607.887   9.3535  996.536   28.857  1011.04   50.530  989.518   35.152  610.966   15.306  604.808   10.756 6.158081 18.70694 
1 1 1    1    1   30 o  717.785   17.706  1396.40   68.677  1396.40   68.677   0.0000   0.0000  717.785   17.706  ?   ?       ?      ? 
1 1 1    1    1   32 o  1203.87   20.478  3935.03  133.037  3822.07  182.519  4063.06  194.319  1185.60   28.489  1222.14   29.424 -36.54724 40.95648 
1 1 1    1    1   33 o  509.425   6.6531  701.529   18.312  693.063   25.663  710.312   26.139  506.295   9.3801  512.555   9.4377 -6.259369 13.30625 
1 1 1    1    1   34 o  914.914   11.111  2266.35   54.931  2279.28   78.134  2253.71   77.242  917.489   15.760  912.339   15.668 5.149658 22.22275 
1 1 1    1    1   35 o  893.627   10.877  2162.02   52.522  2172.76   74.651  2151.49   73.908  895.821   15.422  891.434   15.343 4.386169 21.75401 
1 1 1    1    1   36 o  514.357   6.7705  715.115   18.812  726.303   27.031  704.610   26.195  518.253   9.6525  510.462   9.4967 7.791107 13.54099 
1 1 1    1    1   37 o  322.156   5.2037  280.459   9.0563  285.182   12.995  276.000   12.628  324.791   7.4043  319.522   7.3138 5.269409 10.40746 
1 1 1    1    1   38 o  627.529   7.9922  1065.59   27.101  1061.14   38.217  1070.10   38.437  626.210   11.294  628.848   11.311 -2.638550 15.98439 
1 1 1    1    1   39 o  287.883   7.4411  224.066   11.576   0.0000   0.0000  224.066   11.576  ?   ?   287.883   7.4411      ?      ? 
1 1 1    1    1   40 o  390.502   7.1583  411.984   14.299  410.744   17.575  414.414   24.596  389.720   8.3454  391.284   11.633 -1.564148 14.31663 
1 1 1    1    1   41 o  641.153   10.028  1114.90   32.855  1117.34   40.394  1110.14   56.477  642.480   11.635  639.825   16.335 2.654602 20.05514 
1 1 1    1    1   42 o  526.815   9.9601  751.122   28.354   0.0000   0.0000  751.122   28.354  ?   ?   526.815   9.9601      ?      ? 
1 1 1    1    1   43 o  443.454   6.3376  531.806   15.181  542.072   21.842  522.212   21.114  447.587   9.0306  439.322   8.8942 8.265808 12.67517 
1 1 1    1    1   44 o  348.137   6.9035  327.354   12.226  325.741   14.935  330.631   21.287  346.968   7.9655  349.307   11.277 -2.338501 13.80694 
1 1 1    1    1   45 o  464.269   6.4911  582.171   16.258  609.825   23.835  558.109   22.234  474.539   9.2952  453.998   9.0630 20.54166 12.98228 
1 1 1    1    1   46 o  282.773   5.4490  216.318   8.3229  208.082   11.641  224.931   11.904  277.266   7.7700  288.281   7.6415 -11.01544 10.89795 
1 1 1    1    1   47 o  158.370   6.4954   68.003   5.5558   66.992   7.9481   68.969   7.7692  157.209   9.3561  159.531   9.0124 -2.322021 12.99079 
1 1 1    1    1   48 o  520.033   6.9994  733.652   19.667  725.748   27.557  741.856   28.076  517.187   9.8604  522.878   9.9369 -5.690918 13.99887 
1 1 1    1    1   49 o   47.420   12.618   4.2551   4.5042   1.7121   6.4053   6.7425   6.3351   42.513   17.439   52.326   18.242 -9.813496 25.23662 
1 1 1    1    1   50 o   94.347   9.4322   24.316   4.7962   26.701   6.8691   22.046   6.6998   98.900   12.853   89.795   13.808 9.104584 18.86433 
1 1 1    1    1   51 o  187.099   5.7919   94.993   5.8546   92.526   8.2437   97.503   8.3161  184.641   8.2624  189.557   8.1189 -4.915359 11.58373 
1 1 1    1    1   52 o  533.234   7.1418  774.386   20.577  766.675   28.862  782.357   29.343  530.549   10.067  535.919   10.133 -5.370178 14.28353 
1 1 1    1    1   53 o  276.803   5.3894  208.072   8.0596  211.621   11.541  204.694   11.260  279.100   7.6523  274.506   7.5912 4.593964 10.77889 
1 1 1    1    1   54 o  219.278   5.4966  130.680   6.5110  132.221   9.3408  129.223   9.0807  220.524   7.8386  218.032   7.7074 2.492020 10.99313 
1 1 1    1    1   55 o  219.822   5.6154  131.565   6.6701  132.478   9.4680  130.667   9.3981  220.577   7.9435  219.066   7.9393 1.512024 11.23079 
1 1 1    1    1   56 o  230.445   5.4942  144.686   6.8387  144.715   9.8149  144.658   9.5339  230.439   7.8821  230.450   7.6561 -0.1077271E-01 10.98834 
1 1 1    1    1   57 o  102.105   8.7952   28.768   4.8413   31.671   7.0311   26.150   6.6759  107.045   12.155   97.166   12.715 9.879662 17.59036 
1 1 1    1    1   58 o  222.423   7.9350  136.138   9.5085  129.122   12.854  144.617   14.130  216.221   11.002  228.626   11.438 -12.40562 15.87001 
1 1 1    1    1   60 o  136.451   11.136   53.429   8.1467   57.185   11.146   49.122   11.937  142.175   14.507  130.727   16.899 11.44836 22.27185 
1 1 1    1    1   61 o   57.589   13.207   9.3223   5.0065   4.3973   7.2508   13.810   6.9213   47.673   18.903   67.504   18.448 -19.83152 26.41375 
1 1 1    1    1   62 o  289.479   5.7168  230.541   8.9424  228.896   12.627  232.196   12.666  288.433   8.1012  290.525   8.0683 -2.092865 11.43363 
1 1 1    1    1   63 o  101.685   10.671   30.502   5.5193   39.846   7.9222   21.688   7.6937  118.770   12.344   84.601   17.410 34.16929 21.34209 
1 1 1    1    1   64 o   60.012   14.032   10.739   5.3851   13.815   7.7618   7.8846   7.4776   66.332   19.997   53.692   19.690 12.64021 28.06319 
1 1 1    1    1   65 o   83.407   12.948   21.808   5.6859   18.976   8.1526   24.491   7.9340   77.264   19.520   89.550   17.018 -12.28557 25.89685 
1 1 1    1    1   66 o  293.909   6.0138  240.914   9.5484  243.860   13.692  238.124   13.323  295.584   8.5721  292.234   8.4368 3.350159 12.02751 
1 1 1    1    1   67 o  187.016   10.366   98.627   10.476   98.627   10.476   0.0000   0.0000  187.016   10.366  ?   ?       ?      ? 
1 1 1    1    1   68 o   88.963   13.757   26.936   6.4515   31.372   9.2087   22.661   9.0413   97.664   18.116   80.263   20.708 17.40100 27.51445 
1 1 1    1    1   69 o  196.136   6.9017  109.405   7.3023  118.633   10.569  100.976   10.101  204.222   9.5774  188.049   9.9403 16.17325 13.80349 
1 1 1    1    1   70 o  124.824   9.5227   48.063   6.3554   41.980   9.1350   53.769   8.8477  115.822   14.596  133.826   12.235 -18.00422 19.04549 
1 1 1    1    2    0 o  2139.45   25.276 12390.97  292.152 12255.18  408.359 12533.35  418.145  2127.48   35.521  2151.43   35.968 -23.95166 50.55135 
1 1 1    1    2    1 o  937.698   13.724  2392.41   66.281  2326.58  111.434  2428.46   82.452  927.553   22.233  947.843   16.098 -20.28967 27.44893 
1 1 1    1    2    3 o  1193.46   14.217  3851.49   91.667  3894.61  131.163  3810.31  128.162  1199.98   20.228  1186.94   19.982 13.04260 28.43324 
1 1 1    1    2    4 o  1001.54   11.999  2712.91   64.936  2702.18   91.396  2723.83   92.278  999.549   16.921  1003.54   17.017 -3.990173 23.99789 
1 1 1    1    2    6 o  837.378   10.110  1895.64   45.733  1871.06   63.821  1921.59   65.568  831.805   14.199  842.952   14.395 -11.14703 20.21910 
1 1 1    1    2    7 o  538.681   6.7567  784.184   19.666  777.971   27.594  790.598   28.036  536.514   9.5179  540.849   9.5929 -4.334900 13.51347 
1 1 1    1    2    8 o  851.484   10.285  1960.33   47.320  1971.17   67.265  1949.72   66.581  853.812   14.579  849.157   14.510 4.655029 20.56951 
1 1 1    1    2    9 o  377.828   5.0466  385.768   10.303  383.482   14.508  388.094   14.635  376.699   7.1273  378.957   7.1467 -2.258301 10.09325 
1 1 1    1    2   10 o  1521.22   18.066  6271.79  148.502  6282.02  210.401  6261.62  209.627  1522.45   25.575  1519.98   25.522 2.464844 36.13139 
1 1 1    1    2   11 o  1549.65   18.394  6506.57  154.023  6543.53  219.144  6470.49  216.523  1553.98   26.097  1545.32   25.930 8.668579 36.78891 
1 1 1    1    2   12 o  583.086   7.2662  918.695   22.889  931.130   32.783  906.866   31.973  586.934   10.337  579.239   10.215 7.695251 14.53242 
1 1 1    1    2   13 o  273.744   4.1039  202.488   6.0706  201.916   8.5854  203.061   8.5848  273.356   5.8122  274.131   5.7954 -0.7744751 8.207856 
1 1 1    1    2   14 o  942.535   11.334  2402.11   57.714  2428.80   82.551  2376.60   80.719  947.649   16.121  937.421   15.935 10.22797 22.66730 
1 1 1    1    2   15 o  337.454   4.7111  307.721   8.5905  305.885   12.104  309.586   12.194  336.440   6.6578  338.468   6.6673 -2.028900 9.422267 
1 1 1    1    2   16 o  755.872   9.2160  1544.72   37.638  1529.53   52.713  1560.53   53.757  752.084   12.971  759.660   13.096 -7.575134 18.43197 
1 1 1    1    2   17 o  316.717   4.5522  271.060   7.7904  268.847   10.961  273.318   11.074  315.411   6.4314  318.022   6.4441 -2.611389 9.104351 
1 1 1    1    2   18 o  869.617   10.520  2045.86   49.428  2061.81   70.477  2030.42   69.341  872.947   14.941  866.287   14.813 6.659851 21.03925 
1 1 1    1    2   19 o  739.093   9.0455  1477.41   36.112  1502.68   51.951  1453.78   50.233  745.196   12.901  732.991   12.682 12.20496 18.09107 
1 1 1    1    2   20 o  102.467   4.0445   28.402   2.2375   27.266   3.1825   29.512   3.1463  100.438   5.8639  104.496   5.5720 -4.057663 8.089072 
1 1 1    1    2   21 o  996.990   12.005  2693.75   64.667  2664.11   90.457  2724.73   92.483  991.399   16.885  1002.58   17.071 -11.18018 24.01094 
1 1 1    1    2   22 f   98.870   4.3191   26.466   2.3020   25.721   3.3460   27.135   3.1720   97.545   6.3478  100.196   5.8586 -2.650284 8.638194 
1 1 1    1    2   23 o  104.203   4.4334   29.330   2.4930   31.529   3.5773   27.253   3.4761  107.999   6.1299  100.408   6.4067 7.590897 8.866849 
1 1 1    1    2   24 o  355.507   5.0032  341.619   9.6094  345.936   13.756  337.505   13.430  357.698   7.1167  353.315   7.0342 4.382996 10.00640 
1 1 1    1    2   25 o  298.978   4.5319  241.646   7.3214  242.977   10.408  240.342   10.301  299.793   6.4249  298.164   6.3933 1.629395 9.063890 
1 1 1    1    2   26 o  672.278   8.3351  1222.88   30.269  1242.95   43.511  1204.05   42.135  677.612   11.883  666.945   11.691 10.66705 16.67015 
1 1 1    1    2   27 o  888.937   10.793  2141.50   51.845  2139.01   73.278  2144.00   73.362  888.418   15.264  889.455   15.264 -1.036438 21.58632 
1 1 1    1    2   28 f  680.996   10.331  1253.87   35.795  1262.84   62.250  1249.44   43.752  682.527   16.878  679.464   11.916 3.063110 20.66107 
1 1 1    1    2   29 o  1406.94   23.907  5411.94  181.753  5436.94  258.220  5387.39  255.870  1410.13   33.888  1403.76   33.732 6.363647 47.81434 
1 1 1    1    2   30 o  519.542   9.4870  728.611   26.575  702.703   36.169  759.009   39.178  509.551   13.136  529.533   13.692 -19.98251 18.97401 
1 1 1    1    2   31 o  445.227   12.144  536.261   29.217  536.261   29.217   0.0000   0.0000  445.227   12.144  ?   ?       ?      ? 
1 1 1    1    2   32 o  758.799   13.252  1559.86   54.334  1564.64   77.240  1555.18   76.445  759.942   18.809  757.656   18.672 2.285461 26.50347 
1 1 1    1    2   33 o  876.593   13.115  2079.68   58.402  2088.74  101.811  2075.23   71.300  877.596   21.469  875.589   15.070 2.006592 26.23000 
1 1 1    1    2   34 o  1261.32   15.108  4315.50  102.970  4324.30  145.952  4306.79  145.295  1262.59   21.392  1260.05   21.339 2.547119 30.21571 
1 1 1    1    2   35 o  1097.23   13.209  3262.78   78.314  3250.97  110.359  3274.76  111.150  1095.24   18.647  1099.23   18.713 -3.988525 26.41733 
1 1 1    1    2   36 o  1162.15   13.970  3662.10   87.722  3632.87  123.042  3692.32  125.098  1157.45   19.673  1166.84   19.840 -9.395264 27.94025 
1 1 1    1    2   37 f  109.641   7.4655   33.251   4.2812   23.756   6.0699   42.651   6.0393   93.695   11.989  125.587   8.8993 -31.89265 14.93092 
1 1 1    1    2   38 o  433.302   6.1011  507.528   14.282  497.977   19.946  517.578   20.460  429.121   8.6017  437.483   8.6548 -8.361877 12.20222 
1 1 1    1    2   39 f  198.962   5.6773  107.035   6.1031  104.786   8.6037  109.313   8.6586  196.857   8.0881  201.067   7.9693 -4.210144 11.35459 
1 1 1    1    2   40 o  398.072   7.2420  430.743   14.802  435.245   18.328  422.297   25.100  401.168   8.4546  394.976   11.760 6.192200 14.48397 
1 1 1    1    2   41 o  1084.76   16.119  3216.27   89.591  3157.66  152.539  3247.14  110.696  1075.92   26.237  1093.61   18.732 -17.69141 32.23766 
1 1 1    1    2   42 f  416.924   7.6279  469.898   15.967  472.522   28.477  468.695   19.283  417.616   12.619  416.233   8.5732 1.382660 15.25586 
1 1 1    1    2   43 o  296.716   6.5417  236.195   9.8904  244.369   17.264  232.201   12.067  300.430   10.635  293.003   7.6213 7.427429 13.08349 
1 1 1    1    2   44 o  516.949   8.5704  721.156   22.486  714.732   27.382  734.459   39.403  513.735   9.8635  520.163   14.019 -6.427979 17.14089 
1 1 1    1    2   45 o  459.387   7.8811  573.269   18.502  575.733   22.760  568.468   31.768  461.098   9.1348  457.677   12.845 3.420929 15.76217 
1 1 1    1    2   46 o  759.147   9.4831  1564.88   38.886  1590.67   55.948  1540.77   54.085  765.160   13.531  753.135   13.290 12.02490 18.96629 
1 1 1    1    2   47 o  123.292   7.7063   41.221   5.1231   45.077   7.3623   37.602   7.1333  128.893   10.571  117.691   11.217 11.20221 15.41261 
1 1 1    1    2   48 o  230.482   5.4862  143.936   6.8293  142.926   9.7963  144.891   9.5257  229.684   7.8930  231.279   7.6221 -1.595169 10.97248 
1 1 1    1    2   49 o  242.945   5.3343  159.392   6.9902  169.618   10.264  150.546   9.5464  250.183   7.5922  235.707   7.4951 14.47627 10.66858 
1 1 1    1    2   50 o   80.934   11.125   18.263   4.7656   20.988   6.8991   15.777   6.5907   87.547   14.583   74.320   16.805 13.22707 22.25059 
1 1 1    1    2   51 o  318.716   5.4453  275.493   9.3759  277.595   13.424  273.492   13.101  319.892   7.7658  317.541   7.6352 2.351563 10.89059 
1 1 1    1    2   52 o  149.834   6.6012   60.930   5.3367   63.990   7.8130   58.254   7.3068  153.341   9.4292  146.327   9.2409 7.013977 13.20237 
1 1 1    1    2   53 o  151.832   6.4566   62.817   5.2905   61.913   7.6472   63.646   7.3269  150.751   9.3876  152.914   8.8671 -2.163025 12.91329 
1 1 1    1    2   54 o  348.119   5.6424  329.610   10.613  326.347   15.033  332.854   14.987  346.386   8.0314  349.853   7.9274 -3.466095 11.28478 
1 1 1    1    2   55 o  197.392   5.8210  106.201   6.2048  105.181   8.9137  107.159   8.6424  196.439   8.3973  198.345   8.0635 -1.906433 11.64197 
1 1 1    1    2   56 o   39.123   11.907  -0.2377   4.5821  -1.7140   6.6503   1.0966   6.3222   37.555   16.613   40.692   17.063 -3.136703 23.81413 
1 1 1    1    2   57 o  204.735   7.1611  118.520   7.5314  102.770   12.278  128.020   9.5361  192.928   11.777  216.542   8.1497 -23.61423 14.32213 
1 1 1    1    2   58 o  186.518   8.1609   96.114   8.2156  102.635   11.902   90.180   11.354  192.589   11.437  180.448   11.644 12.14125 16.32180 
1 1 1    1    2   59 o   72.574   23.330   15.881   10.383   15.881   10.383   0.0000   0.0000   72.574   23.330  ?   ?       ?      ? 
1 1 1    1    2   60 o  110.923   12.953   36.204   7.5755   33.626   10.759   38.739   10.668  105.817   19.536  116.029   17.015 -10.21144 25.90696 
1 1 1    1    2   61 o   55.111   14.787   3.7217   5.9796   15.597   10.998  -1.2618   7.1247   71.349   24.062   38.874   17.196 32.47440 29.57490 
1 1 1    1    2   62 o   66.264   13.375   13.462   5.3010   7.9955   7.6753   18.448   7.3301   54.650   19.962   77.877   17.806 -23.22772 26.74962 
1 1 1    1    2   63 o  168.242   6.7050   78.723   6.0786   73.641   8.7111   83.546   8.4863  162.736   9.9061  173.748   9.0387 -11.01205 13.41004 
1 1 1    1    2   64 o   49.584   13.634   5.7460   5.2503   5.1693   7.5480   6.2866   7.3079   48.776   19.304   50.392   19.257 -1.615700 27.26700 
1 1 1    1    2   65 o  180.278   6.9157   90.862   6.7344   91.538   9.6732   90.227   9.3814  180.854   9.8982  179.701   9.6611 1.152405 13.83150 
1 1 1    1    2   66 o  119.030   9.5399   41.680   6.0787   38.231   8.9459   44.638   8.2852  113.683   14.563  124.377   12.328 -10.69358 19.07979 
1 1 1    1    2   67 o  257.841   6.2859  185.124   8.7488  173.761   12.140  197.402   12.619  249.518   9.0041  266.165   8.7738 -16.64738 12.57187 
1 1 1    1    2   68 o   63.410   13.764   12.815   6.0004   3.1827   8.2561   23.599   8.7361   44.352   19.078   82.469   19.844 -38.11699 27.52762 
1 1 1    1    2   69 o   40.272   12.676  -1.4130   5.8151  -7.1522   8.2002   4.3923   8.2474   34.055   16.213   46.489   19.491 -12.43398 25.35248 
1 1 1    1    2   70 o   87.384   13.348   26.596   6.1196   27.974   8.7348   25.268   8.5761   90.011   18.575   84.757   19.174 5.254120 26.69540 
1 1 1    1    3    1 o  910.124   12.687  2226.76   53.558  2268.02  109.002  2213.63   61.493  915.364   22.037  904.884   12.576 10.47968 25.37301 
1 1 1    1    3    2 o  998.259   11.988  2693.08   64.615  2631.81   89.281  2760.46   93.632  986.364   16.751  1010.15   17.153 -23.79004 23.97554 
1 1 1    1    3    3 o  341.675   4.6963  315.449   8.6702  318.261   12.352  312.717   12.173  343.175   6.6609  340.174   6.6224 3.001678 9.392693 
1 1 1    1    3    4 o  868.101   10.477  2038.12   49.144  2050.21   69.886  2026.28   69.121  870.646   14.855  865.555   14.778 5.091003 20.95374 
1 1 1    1    3    6 o  521.641   9.3108  735.421   26.245  735.421   26.245   0.0000   0.0000  521.641   9.3108  ?   ?       ?      ? 
1 1 1    1    3    7 o  403.532   5.3324  440.055   11.628  439.874   16.447  440.236   16.441  403.449   7.5442  403.615   7.5382 -0.1658325 10.66487 
1 1 1    1    3    8 o  587.393   7.3240  931.967   23.234  952.359   33.546  913.167   32.210  593.562   10.459  581.225   10.256 12.33636 14.64800 
1 1 1    1    3    9 o  217.891   3.6393  128.268   4.2846  126.155   6.0169  130.443   6.1028  216.070   5.1533  219.712   5.1403 -3.641800 7.278672 
1 1 1    1    3   10 o  1493.20   17.737  6040.86  143.115  6043.10  202.479  6038.62  202.310  1493.47   25.090  1492.92   25.078 0.5518799 35.47388 
1 1 1    1    3   11 o  636.605   7.8693  1095.44   27.070  1089.58   38.131  1101.39   38.436  634.890   11.115  638.320   11.143 -3.429688 15.73856 
1 1 1    1    3   12 o  1009.77   12.111  2757.85   66.081  2756.70   93.461  2758.99   93.445  1009.56   17.132  1009.98   17.122 -0.4194336 24.22124 
1 1 1    1    3   13 o  631.340   7.8154  1077.26   26.660  1087.44   38.056  1067.45   37.358  634.269   11.104  628.412   11.002 5.856812 15.63084 
1 1 1    1    3   14 o  727.548   8.8907  1431.05   34.952  1424.73   49.212  1437.47   49.650  725.930   12.546  729.166   12.601 -3.236023 17.78144 
1 1 1    1    3   15 f  665.470   8.2029  1197.28   29.497  1198.62   41.782  1195.94   41.650  665.842   11.613  665.097   11.589 0.7445068 16.40582 
1 1 1    1    3   16 o  353.972   4.9056  338.604   9.3830  339.833   13.325  337.394   13.215  354.609   6.9538  353.335   6.9214 1.274689 9.811275 
1 1 1    1    3   17 o  957.414   11.530  2480.29   59.650  2479.73   84.366  2480.84   84.350  957.307   16.309  957.521   16.302 -0.2137451 23.05965 
1 1 1    1    3   18 o  152.292   3.6175   62.623   2.9757   60.414   4.1424   64.978   4.2773  149.520   5.1271  155.064   5.1047 -5.544098 7.234972 
1 1 1    1    3   19 o  825.659   10.032  1845.62   44.759  1837.89   63.043  1853.48   63.558  823.919   14.160  827.400   14.216 -3.481262 20.06459 
1 1 1    1    3   20 o  350.571   4.9253  332.230   9.3302  332.497   13.218  331.966   13.172  350.711   6.9746  350.431   6.9561 0.2798157 9.850554 
1 1 1    1    3   21 o  612.164   7.6493  1013.11   25.289  992.556   35.062  1035.40   36.511  605.704   10.712  618.623   10.922 -12.91913 15.29866 
1 1 1    1    3   22 o  772.700   9.4510  1616.19   39.452  1638.79   56.569  1594.78   55.048  777.946   13.457  767.453   13.274 10.49353 18.90194 
1 1 1    1    3   23 f  454.524   5.9786  558.696   14.684  557.434   20.746  559.964   20.786  454.009   8.4563  455.039   8.4536 -1.029541 11.95714 
1 1 1    1    3   24 o  547.792   6.9686  810.915   20.609  833.685   29.926  790.374   28.423  555.089   9.9768  540.496   9.7318 14.59271 13.93714 
1 1 1    1    3   25 o  646.089   8.0442  1129.36   28.073  1149.57   40.406  1110.50   39.032  651.663   11.474  640.516   11.277 11.14709 16.08841 
1 1 1    1    3   26 o  130.104   4.3139   45.706   3.0310   47.867   4.3656   43.694   4.2115  133.071   6.0712  127.138   6.1302 5.933327 8.627843 
1 1 1    1    3   27 o  287.839   4.5469  223.379   7.0606  234.066   10.355  214.093   9.6522  294.254   6.5125  281.423   6.3472 12.83105 9.093884 
1 1 1    1    3   28 o  493.508   9.0365  659.224   24.098  662.612   34.130  655.856   34.029  494.774   12.766  492.243   12.793 2.531067 18.07304 
1 1 1    1    3   29 o  956.668   16.374  2486.18   84.640  2506.76  120.630  2466.22  118.789  960.549   23.241  952.788   23.072 7.760803 32.74855 
1 1 1    1    3   30 o  927.973   13.779  2337.12   65.240  2341.31   80.076  2328.83  112.515  929.768   15.938  926.177   22.482 3.590698 27.55813 
1 1 1    1    3   31 o  1219.84   20.765  4048.42  136.845  4094.59  196.002  4004.50  191.144  1226.56   29.572  1213.11   29.159 13.44592 41.53021 
1 1 1    1    3   32 o  452.208   8.6900  553.094   21.230  555.631   30.391  550.676   29.669  453.216   12.409  451.201   12.169 2.014984 17.37999 
1 1 1    1    3   33 o  473.754   7.8329  606.971   18.758  607.207   32.990  606.858   22.803  473.736   12.887  473.772   8.9070 -0.3616333E-01 15.66580 
1 1 1    1    3   34 o  206.084   4.7204  114.840   5.2542  112.722   7.4990  116.882   7.3641  204.215   6.7956  207.952   6.5534 -3.737137 9.440709 
1 1 1    1    3   35 o  473.997   6.3715  607.320   16.317  598.919   22.841  616.076   23.318  470.651   8.9809  477.342   9.0402 -6.691406 12.74290 
1 1 1    1    3   36 o  226.292   4.9084  138.466   5.9999  136.145   8.5531  140.715   8.4188  224.422   7.0530  228.162   6.8284 -3.739441 9.816895 
1 1 1    1    3   37 o  775.545   9.5961  1628.33   40.212  1614.46   56.476  1642.60   57.270  772.200   13.535  778.891   13.607 -6.691833 19.19214 
1 1 1    1    3   38 o  388.146   5.7915  407.380   12.147  402.003   17.148  412.794   17.207  385.574   8.2305  390.718   8.1501 -5.143921 11.58300 
1 1 1    1    3   39 o  413.159   7.3614  464.858   15.640  471.938   19.422  451.802   26.376  417.750   8.6039  408.568   11.947 9.181305 14.72279 
1 1 1    1    3   40 o  122.676   11.303   40.732   7.4927   0.0000   0.0000   40.732   7.4927  ?   ?   122.676   11.303      ?      ? 
1 1 1    1    3   41 o  604.719   9.7430  979.103   29.406  1020.95   53.477  960.968   35.206  613.567   16.129  595.872   10.934 17.69501 19.48598 
1 1 1    1    3   42 o  423.321   6.1551  484.623   14.077  472.134   19.685  497.692   20.137  417.741   8.7205  428.901   8.6888 -11.16013 12.31023 
1 1 1    1    3   43 o  592.463   9.3902  948.401   28.281  960.811   49.338  942.329   34.514  595.009   15.345  589.917   10.827 5.092346 18.78036 
1 1 1    1    3   44 o  521.139   8.5044  737.258   22.702  733.784   38.829  739.062   27.982  519.905   13.821  522.373   9.9132 -2.467896 17.00876 
1 1 1    1    3   45 o  928.274   13.941  2365.72   66.524  2395.40   82.571  2310.81  112.301  938.174   16.288  918.374   22.630 19.79974 27.88156 
1 1 1    1    3   46 o  222.858   5.7523  134.354   6.9237  128.722   9.6457  140.340   9.9442  218.041   8.1867  227.674   8.0829 -9.633148 11.50461 
1 1 1    1    3   47 o  289.034   5.4376  226.181   8.4856  213.743   11.893  239.081   12.111  280.928   7.8342  297.139   7.5430 -16.21094 10.87529 
1 1 1    1    3   48 o  188.928   5.8777   96.979   5.9853   91.881   8.6208  101.724   8.3165  184.097   8.6659  193.759   7.9431 -9.662476 11.75539 
1 1 1    1    3   49 o  322.769   5.4928  282.272   9.5751  285.904   13.804  278.904   13.293  324.755   7.8662  320.782   7.6686 3.973511 10.98567 
1 1 1    1    3   50 o  227.770   5.4517  140.897   6.7005  134.342   9.5663  147.210   9.3880  222.534   7.9554  233.006   7.4562 -10.47133 10.90336 
1 1 1    1    3   51 o  262.340   5.3720  186.588   7.6122  189.893   10.953  183.500   10.587  264.577   7.6610  260.103   7.5326 4.474731 10.74391 
1 1 1    1    3   52 o  159.445   6.3148   69.527   5.4105   63.034   7.8010   75.545   7.5105  152.164   9.4874  166.726   8.3363 -14.56174 12.62954 
1 1 1    1    3   53 o  142.267   6.7704   55.475   5.1749   50.640   7.4953   59.879   7.1536  136.230   10.182  148.305   8.9265 -12.07512 13.54085 
1 1 1    1    3   54 o  108.382   8.3305   31.773   4.8460   36.695   7.3609   28.007   6.4380  115.692   11.774  101.071   11.788 14.62070 16.66104 
1 1 1    1    3   55 o  104.504   8.6325   30.063   4.8456   30.174   7.2633   29.973   6.5048  104.571   12.854  104.436   11.526 0.1349182 17.26498 
1 1 1    1    3   56 o  157.456   7.6163   64.348   6.1920   80.991   10.866   56.344   7.5352  171.465   11.727  143.447   9.7210 28.01799 15.23261 
1 1 1    1    3   57 o  132.051   10.089   48.670   7.1845   44.752   10.061   52.748   10.263  126.492   14.719  137.610   13.802 -11.11839 20.17782 
1 1 1    1    3   58 o  125.395   10.248   44.122   6.9327   44.505   10.115   43.784   9.5208  125.779   14.882  125.011   14.094 0.7674026 20.49685 
1 1 1    1    3   59 o   75.329   14.596   16.022   5.9161   12.721   7.2783   22.450   10.156   65.311   19.289   85.346   21.911 -20.03550 29.19162 
1 1 1    1    3   60 o  184.630   9.3427   96.333   9.2047   91.419   13.936  100.135   12.259  179.799   14.344  189.460   11.975 -9.660233 18.68534 
1 1 1    1    3   61 o   69.747   15.522   13.175   7.5497   1.4504   10.610   25.203   10.746   50.079   21.584   89.415   22.312 -39.33506 31.04356 
1 1 1    1    3   62 o   50.453   13.637   6.0529   5.1789   6.0365   7.5045   6.0678   7.1560   50.693   19.481   50.214   19.088 0.4790916 27.27344 
1 1 1    1    3   63 o  117.990   8.8942   38.905   5.5916   48.928   8.3687   30.822   7.5154  131.896   11.742  104.083   13.362 27.81352 17.78842 
1 1 1    1    3   64 o   59.044   13.689   10.101   5.4071   4.5539   7.6866   15.534   7.6077   47.930   19.308   70.158   19.411 -22.22827 27.37860 
1 1 1    1    3   65 o   73.327   13.881   17.070   5.5887   19.003   8.3927   15.530   7.4912   76.837   20.014   69.817   19.240 7.020332 27.76207 
1 1 1    1    3   66 o   33.666   11.321  -7.7822   5.6302  -6.4384   8.0225  -9.0863   7.9034   34.873   16.433   32.458   15.577 2.415195 22.64289 
1 1 1    1    3   67 o   84.084   13.672   22.845   6.1156   26.370   8.5490   19.150   8.7522   91.874   17.863   76.293   20.702 15.58128 27.34363 
1 1 1    1    3   68 o  158.217   7.9380   73.395   6.7746   69.250   9.6292   77.456   9.5329  153.352   11.620  163.083   10.818 -9.731064 15.87608 
1 1 1    1    3   69 o   91.865   12.855   27.684   6.1533   25.541   8.5715   29.963   8.8389   87.663   18.667   96.068   17.678 -8.405037 25.70940 
1 1 1    1    4    0 o  807.063   9.7928  1760.86   42.700  1779.62   61.047  1742.90   59.749  811.266   13.926  802.861   13.772 8.404724 19.58558 
1 1 1    1    4    1 o  660.987   9.4795  1157.47   28.529  1225.68   60.219  1137.73   32.395  673.165   16.555  648.808   9.2402 24.35657 18.95892 
1 1 1    1    4    2 o  439.678   5.7717  522.421   13.713  525.727   19.471  519.167   19.315  441.058   8.1698  438.298   8.1551 2.760162 11.54343 
1 1 1    1    4    3 o  927.744   11.183  2327.44   56.060  2341.39   79.819  2313.87   78.755  930.483   15.875  925.005   15.756 5.478149 22.36646 
1 1 1    1    4    4 o  362.776   7.0161  355.642   13.754  355.642   13.754   0.0000   0.0000  362.776   7.0161  ?   ?       ?      ? 
1 1 1    1    4    5 o  1606.56   19.085  6992.05  165.671  6947.79  232.845  7037.44  235.770  1601.42   26.907  1611.69   27.072 -10.27234 38.16927 
1 1 1    1    4    7 o  894.297   10.789  2162.27   52.119  2130.01   72.584  2196.62   74.886  887.420   15.136  901.173   15.378 -13.75360 21.57776 
1 1 1    1    4    8 o  572.794   10.135  886.883   31.371   0.0000   0.0000  886.883   31.371  ?   ?   572.794   10.135      ?      ? 
1 1 1    1    4    9 o  465.637   8.5166  585.986   21.429   0.0000   0.0000  585.986   21.429  ?   ?   465.637   8.5166      ?      ? 
1 1 1    1    4   10 o  1021.75   12.260  2823.80   67.687  2830.20   95.984  2817.47   95.465  1022.90   17.365  1020.60   17.310 2.299438 24.51922 
1 1 1    1    4   11 o  956.979   11.510  2476.72   59.520  2469.96   83.942  2483.56   84.409  955.667   16.255  958.291   16.301 -2.624084 23.02024 
1 1 1    1    4   12 o  1906.41   22.596  9856.20  232.753  9775.02  326.360  9940.23  332.038  1898.46   31.813  1914.37   32.098 -15.91016 45.19236 
1 1 1    1    4   13 o  517.912   6.5892  723.965   18.422  703.440   25.374  746.844   26.790  510.163   9.2043  525.662   9.4313 -15.49875 13.17831 
1 1 1    1    4   14 o  298.004   6.2583  239.984   10.078   0.0000   0.0000  239.984   10.078  ?   ?   298.004   6.2583      ?      ? 
1 1 1    1    4   15 o  415.675   5.5320  466.621   12.418  477.051   17.939  457.023   17.208  420.130   7.9017  411.219   7.7442 8.911072 11.06393 
1 1 1    1    4   16 o  239.332   5.6010  154.787   7.2436   0.0000   0.0000  154.787   7.2436  ?   ?   239.332   5.6010      ?      ? 
1 1 1    1    4   17 o  1355.00   16.159  4976.25  118.275  4907.36  164.796  5049.42  169.852  1345.37   22.668  1364.63   23.034 -19.25671 32.31728 
1 1 1    1    4   18 o  509.607   6.5311  702.144   17.983  695.383   25.239  709.116   25.630  507.116   9.2104  512.097   9.2622 -4.980865 13.06215 
1 1 1    1    4   19 o  592.406   7.4427  949.111   23.822  937.969   33.337  960.736   34.052  588.857   10.477  595.954   10.574 -7.097107 14.88537 
1 1 1    1    4   20 o  424.441   5.6584  487.033   12.977  490.902   18.503  483.289   18.204  426.099   8.0363  422.784   7.9680 3.314392 11.31685 
1 1 1    1    4   21 f  631.647   7.8693  1079.45   26.857  1087.94   38.289  1071.24   37.682  634.086   11.175  629.208   11.083 4.878418 15.73860 
1 1 1    1    4   22 f  519.377   6.6631  729.312   18.694  717.232   26.038  742.163   26.856  514.944   9.3575  523.809   9.4881 -8.864929 13.32615 
1 1 1    1    4   23 o  652.659   8.1173  1152.57   28.621  1136.56   39.945  1169.46   41.028  648.009   11.407  657.308   11.551 -9.299622 16.23456 
1 1 1    1    4   24 o  395.201   5.4146  422.243   11.561  427.527   16.541  417.198   16.164  397.615   7.6988  392.786   7.6158 4.829132 10.82921 
1 1 1    1    4   25 o  115.959   4.4525   36.349   2.7893   35.300   3.9289   37.416   3.9606  114.271   6.3629  117.647   6.2300 -3.376152 8.904992 
1 1 1    1    4   26 o  553.212   8.5953  826.568   24.230  834.234   42.037  822.753   29.652  554.952   14.018  551.472   9.9504 3.479980 17.19050 
1 1 1    1    4   27 o  599.435   10.635  973.378   34.446  983.333   49.110  963.739   48.327  602.446   15.086  596.424   14.995 6.022705 21.27031 
1 1 1    1    4   28 o  1120.92   19.095  3421.01  115.654  3405.41  162.747  3436.94  164.384  1118.36   26.930  1123.48   27.077 -5.118408 38.18938 
1 1 1    1    4   29 f  1068.97   15.775  3104.19   85.983  3106.76  105.447  3099.10  148.533  1070.52   18.228  1067.42   25.751 3.099487 31.54998 
1 1 1    1    4   30 o  796.557   9.7663  1716.90   42.030  1698.18   58.769  1736.49   60.132  792.124   13.730  800.991   13.893 -8.867737 19.53257 
1 1 1    1    4   31 o  424.958   8.3589  487.375   19.172  465.766   26.342  511.712   27.955  414.968   11.748  434.948   11.894 -19.98013 16.71777 
1 1 1    1    4   32 o  514.264   9.6198  715.294   26.726  702.027   37.309  729.279   38.305  509.370   13.555  519.157   13.654 -9.787079 19.23969 
1 1 1    1    4   33 o  241.003   5.9264  154.406   7.0475  163.423   13.127  150.755   8.3536  245.836   9.8815  236.171   6.5457 9.664948 11.85288 
1 1 1    1    4   34 o  160.994   5.1769   70.101   4.4912   63.471   6.2940   76.979   6.4106  153.231   7.6013  168.757   7.0299 -15.52582 10.35374 
1 1 1    1    4   35 o  594.556   7.6047  956.054   24.431  959.944   34.727  952.241   34.378  595.751   10.787  593.360   10.722 2.391235 15.20942 
1 1 1    1    4   36 o  416.714   5.8944  469.383   13.271  461.427   18.583  477.663   18.958  413.112   8.3248  420.316   8.3470 -7.204346 11.78873 
1 1 1    1    4   37 o  364.711   5.5712  359.505   10.975  364.365   15.791  354.964   15.264  367.092   7.9609  362.331   7.7962 4.761292 11.14250 
1 1 1    1    4   38 o  513.635   13.801  714.414   38.305   0.0000   0.0000  714.414   38.305  ?   ?   513.635   13.801      ?      ? 
1 1 1    1    4   39 o  221.840   5.5753  133.175   6.6774  127.276   9.4746  138.997   9.4124  216.950   8.0818  226.730   7.6825 -9.779678 11.15063 
1 1 1    1    4   40 f  868.980   13.154  2052.26   58.149  2042.79  100.837  2056.99   71.176  866.780   21.529  871.179   15.119 -4.399475 26.30765 
1 1 1    1    4   41 o  597.915   7.7686  967.060   25.089  945.934   34.867  989.745   36.130  591.155   10.915  604.675   11.057 -13.52032 15.53717 
1 1 1    1    4   42 o  423.961   6.1741  486.325   14.144  482.531   20.027  490.101   19.979  422.309   8.7761  425.614   8.6868 -3.305542 12.34830 
1 1 1    1    4   43 o  171.889   6.5047   80.058   6.0335   77.671   8.6799   82.290   8.3926  169.397   9.4825  174.380   8.9066 -4.983353 13.00943 
1 1 1    1    4   44 o  133.436   8.7224   47.796   6.0692   50.180   10.104   46.450   7.5912  135.948   13.755  130.923   10.730 5.025574 17.44487 
1 1 1    1    4   45 o  596.937   7.7879  965.801   25.113  975.427   36.049  956.725   35.004  599.806   11.122  594.068   10.904 5.737976 15.57590 
1 1 1    1    4   46 o  201.424   7.1302  111.174   7.4539  114.458   9.3988  105.608   12.237  205.577   8.4608  197.272   11.479 8.305740 14.26039 
1 1 1    1    4   47 o  427.270   6.1975  494.643   14.305  501.543   20.502  488.097   19.970  430.164   8.8203  424.376   8.7084 5.788269 12.39491 
1 1 1    1    4   48 o  428.733   6.1877  498.040   14.325  507.660   20.732  489.251   19.816  432.672   8.8672  424.795   8.6327 7.876862 12.37540 
1 1 1    1    4   49 f   97.670   9.7923   27.241   4.8609   21.781   7.3618   31.461   6.4724   87.813   16.108  107.527   11.139 -19.71458 19.58462 
1 1 1    1    4   50 o  437.168   6.2691  518.892   14.808  509.590   20.820  528.417   21.067  433.196   8.8940  441.140   8.8376 -7.943573 12.53820 
1 1 1    1    4   51 o  379.853   5.8559  391.706   12.018  383.748   16.889  399.870   17.106  375.938   8.3138  383.768   8.2490 -7.830353 11.71180 
1 1 1    1    4   52 o  483.890   6.6982  637.638   17.514  634.661   24.795  640.602   24.742  482.750   9.5052  485.030   9.4401 -2.280212 13.39646 
1 1 1    1    4   53 o  343.089   5.6195  319.791   10.415  309.136   14.533  331.037   14.932  337.211   7.9759  348.966   7.9184 -11.75577 11.23903 
1 1 1    1    4   54 o  109.604   8.3600   32.897   4.9463   34.945   7.1591   31.027   6.8419  112.874   11.738  106.335   11.907 6.539070 16.71994 
1 1 1    1    4   55 o   57.393   13.437   9.0173   4.8571   8.3145   7.1458   9.6208   6.6221   56.198   19.387   58.588   18.610 -2.389496 26.87354 
1 1 1    1    4   56 o  206.115   7.7246  116.813   8.5995  120.563   12.143  113.040   12.180  209.497   10.727  202.732   11.118 6.764832 15.44925 
1 1 1    1    4   57 o  202.340   7.7030  112.691   8.4165  117.207   12.176  108.559   11.647  206.205   10.927  198.476   10.860 7.729599 15.40593 
1 1 1    1    4   58 o  173.781   6.2708   83.460   5.8400   74.139   8.4648   91.927   8.0677  164.249   9.5373  183.313   8.1445 -19.06377 12.54167 
1 1 1    1    4   59 o  178.980   6.1855   87.983   5.9601   88.087   8.8159   87.896   8.0887  178.950   9.1168  179.009   8.3621 -0.5862427E-01 12.37101 
1 1 1    1    4   60 o  174.881   9.2772   85.747   8.7070   87.365   13.146   84.482   11.621  175.980   13.825  173.783   12.375 2.196716 18.55448 
1 1 1    1    4   61 o   76.051   15.513   18.660   7.7588   4.5293   12.240   28.153   10.032   56.352   23.691   95.750   20.033 -39.39796 31.02524 
1 1 1    1    4   62 o  108.341   10.466   35.790   5.5101   21.548   7.9288   49.093   7.6630   84.091   17.993  132.592   10.695 -48.50031 20.93145 
1 1 1    1    4   63 o  179.406   6.6544   88.855   6.4119   92.925   9.6971   85.693   8.5471  182.836   9.8151  175.976   8.9883 6.859940 13.30883 
1 1 1    1    4   64 o   50.937   12.881   6.0750   5.1585  -2.0324   7.8713   12.178   6.8295   39.308   17.683   62.565   18.734 -23.25736 25.76106 
1 1 1    1    4   65 o   78.232   13.089   20.032   5.7957   11.840   8.6503   26.705   7.8070   61.356   21.321   95.107   15.191 -33.75098 26.17892 
1 1 1    1    4   66 o   73.176   14.319   17.610   5.8545   17.530   8.2886   17.690   8.2703   72.990   20.285   73.361   20.215 -0.3715973 28.63795 
1 1 1    1    4   67 o   42.235   13.062   0.0777   5.7487   3.3156   8.2381  -2.9956   8.0258   46.294   19.448   38.176   17.441 8.118286 26.12315 
1 1 1    1    4   68 o   82.115   13.629   23.486   5.9720   26.514   8.4169   20.416   8.4747   88.756   18.162   75.474   20.326 13.28230 27.25777 
1 1 1    1    4   69 o   51.719   14.511   7.8589   6.0729   9.2904   8.5556   6.4053   8.6214   53.977   20.785   49.461   20.254 4.516193 29.02127 
1 1 1    1    5    1 o  981.955   16.685  2608.11   88.531   0.0000   0.0000  2608.11   88.531  ?   ?   981.955   16.685      ?      ? 
1 1 1    1    5    3 o  127.822   5.2558   44.149   3.6302   44.149   3.6302   0.0000   0.0000  127.822   5.2558  ?   ?       ?      ? 
1 1 1    1    5    4 o  328.304   4.6753  291.086   8.2908  297.587   11.935  285.022   11.526  331.844   6.6557  324.764   6.5677 7.080078 9.350547 
1 1 1    1    5    5 o  931.980   11.235  2349.61   56.583  2351.26   80.105  2347.96   79.936  932.306   15.901  931.654   15.878 0.6522827 22.47089 
1 1 1    1    5    8 o  665.035   8.2153  1195.55   29.522  1191.14   41.639  1200.00   41.864  663.802   11.608  666.268   11.628 -2.465454 16.43058 
1 1 1    1    5    9 o  1485.74   17.662  5977.33  141.786  6017.72  201.907  5938.05  199.151  1490.68   25.066  1480.81   24.888 9.876099 35.32304 
1 1 1    1    5   11 o  1122.49   13.432  3408.97   81.471  3415.39  115.491  3402.62  114.946  1123.54   19.023  1121.44   18.968 2.097412 26.86375 
1 1 1    1    5   12 o  463.779   6.0398  581.261   15.135  585.520   21.575  577.135   21.238  465.451   8.5781  462.108   8.5050 3.343292 12.07969 
1 1 1    1    5   13 o  1100.66   13.181  3278.60   78.395  3279.98  110.951  3277.22  110.784  1100.89   18.651  1100.43   18.631 0.4600830 26.36182 
1 1 1    1    5   14 o  865.633   10.488  2026.71   49.058  2014.95   68.986  2038.73   69.777  863.098   14.792  868.169   14.874 -5.071716 20.97651 
1 1 1    1    5   15 o  766.541   9.3626  1588.86   38.778  1575.91   54.393  1602.24   55.298  763.369   13.186  769.713   13.295 -6.344482 18.72530 
1 1 1    1    5   16 o  1756.47   20.893  8378.22  198.193  8226.71  274.880  8542.27  286.027  1740.05   29.234  1772.90   29.856 -32.84399 41.78570 
1 1 1    1    5   17 o  173.116   3.7653   80.978   3.5189   76.212   4.9321   85.920   5.0220  167.928   5.4352  178.305   5.2122 -10.37677 7.530552 
1 1 1    1    5   18 o  318.276   4.6794  273.400   8.0412  263.187   11.102  284.668   11.662  312.035   6.5845  324.518   6.6505 -12.48291 9.358714 
1 1 1    1    5   19 o  326.647   4.7474  288.313   8.3779  282.374   11.711  294.539   11.990  323.202   6.7054  330.091   6.7222 -6.888275 9.494753 
1 1 1    1    5   20 o  823.682   10.036  1835.91   44.639  1798.23   61.798  1877.03   64.549  814.872   14.035  832.491   14.349 -17.61938 20.07149 
1 1 1    1    5   21 o   80.007   5.2989   17.306   2.2908   17.412   3.2599   17.202   3.2197   80.250   7.5175   79.764   7.4701 0.4852753 10.59786 
1 1 1    1    5   22 o  256.457   4.2986  177.599   5.9538  170.763   8.2705  184.952   8.5778  251.340   6.0895  261.574   6.0686 -10.23380 8.597129 
1 1 1    1    5   23 o  298.845   4.5758  241.377   7.3882  236.504   10.354  246.432   10.546  295.773   6.4783  301.917   6.4640 -6.144196 9.151587 
1 1 1    1    5   24 o  730.287   9.0080  1444.25   35.546  1449.65   50.523  1438.95   50.021  731.633   12.779  728.940   12.699 2.693909 18.01594 
1 1 1    1    5   25 o  755.249   11.298  1556.83   44.017  1510.58   73.686  1582.48   54.886  746.077   18.277  764.421   13.287 -18.34467 22.59692 
1 1 1    1    5   26 o  1007.73   17.223  2764.42   93.780  2781.53  133.481  2747.75  131.785  1010.79   24.438  1004.68   24.275 6.106201 34.44544 
1 1 1    1    5   27 o  300.737   6.4205  244.517   10.431  241.667   14.561  247.523   14.951  298.939   9.0139  302.535   9.1455 -3.596130 12.84096 
1 1 1    1    5   28 o  477.610   6.3214  616.828   16.315  616.428   23.100  617.226   23.045  477.455   8.9534  477.765   8.9262 -0.3100891 12.64283 
1 1 1    1    5   29 o  263.749   4.5770  188.031   6.5224  187.564   9.2908  188.485   9.1587  263.425   6.5270  264.073   6.4183 -0.6477966 9.154015 
1 1 1    1    5   30 o  558.393   8.8207  845.861   25.140  850.644   30.894  836.487   43.253  560.859   10.194  555.928   14.398 4.930786 17.64149 
1 1 1    1    5   31 o  876.185   15.182  2078.88   71.803  2137.39  104.510  2026.58   98.819  887.799   21.785  864.570   21.152 23.22906 30.36429 
1 1 1    1    5   32 o  280.590   7.0113  212.926   10.628  210.968   15.155  214.820   14.909  279.318   10.041  281.862   9.7887 -2.543823 14.02268 
1 1 1    1    5   33 o  661.149   10.210  1189.13   34.507  1164.64   59.036  1201.84   42.529  655.754   16.661  666.545   11.808 -10.79120 20.42055 
1 1 1    1    5   34 o  649.771   8.1802  1142.01   28.720  1148.01   40.853  1136.15   40.385  651.455   11.605  648.086   11.532 3.368896 16.36037 
1 1 1    1    5   35 o  693.322   8.6672  1300.37   32.467  1286.17   45.480  1315.13   46.364  689.467   12.207  697.178   12.307 -7.710266 17.33432 
1 1 1    1    5   36 o  173.193   5.5218   81.120   5.1642   77.411   7.2834   84.871   7.3233  169.208   7.9657  177.178   7.6491 -7.970245 11.04358 
1 1 1    1    5   37 o  861.593   13.001  2008.82   56.813  1999.14   69.212  2028.83   99.474  859.023   14.910  864.162   21.302 -5.139893 26.00201 
1 1 1    1    5   38 o  645.030   10.100  1128.43   33.296  1131.69   40.946  1122.07   57.206  646.662   11.718  643.398   16.454 3.264587 20.20015 
1 1 1    1    5   39 o  1385.06   20.523  5232.78  144.137  5270.27  252.102  5214.58  175.683  1386.04   33.660  1384.08   23.490 1.958618 41.04586 
1 1 1    1    5   40 o  230.387   8.0008  143.535   9.9604   0.0000   0.0000  143.535   9.9604  ?   ?   230.387   8.0008      ?      ? 
1 1 1    1    5   41 o  541.504   7.2271  793.427   21.144  778.637   29.602  808.831   30.211  536.354   10.214  546.654   10.227 -10.29938 14.45416 
1 1 1    1    5   42 o  590.858   7.6996  945.226   24.581  948.745   35.019  941.808   34.513  591.935   10.948  589.781   10.829 2.154358 15.39926 
1 1 1    1    5   43 o  647.975   8.2930  1137.95   29.037  1139.48   41.224  1136.44   40.906  648.401   11.766  647.549   11.690 0.8526611 16.58606 
1 1 1    1    5   44 o  441.853   6.3452  528.618   15.148  528.586   21.590  528.650   21.259  441.832   9.0431  441.873   8.9033 -0.4159546E-01 12.69044 
1 1 1    1    5   45 o  524.421   8.5322  745.039   22.883  750.000   39.377  742.509   28.118  525.376   13.870  523.466   9.9404 1.910156 17.06448 
1 1 1    1    5   46 o  399.967   7.2488  441.427   15.211  470.048   19.693  399.099   23.949  416.525   8.7497  383.409   11.560 33.11520 14.49768 
1 1 1    1    5   47 f  488.226   8.2050  642.367   20.324  632.375   24.705  663.288   35.748  482.867   9.4683  493.584   13.403 -10.71655 16.41008 
1 1 1    1    5   48 o  294.515   5.4685  234.789   8.6928  240.164   12.655  229.988   11.961  297.688   7.8673  291.343   7.5976 6.345032 10.93695 
1 1 1    1    5   49 o   56.521   12.496   7.1268   4.7327   14.881   7.0898   0.8943   6.3563   72.105   18.196   40.937   17.134 31.16783 24.99292 
1 1 1    1    5   50 o  329.669   5.5788  294.819   9.9373  289.481   14.019  300.209   14.088  326.661   7.9423  332.677   7.8367 -6.015991 11.15769 
1 1 1    1    5   51 o  341.438   5.6033  316.553   10.336  310.478   14.654  322.568   14.582  338.157   8.0193  344.718   7.8280 -6.560852 11.20653 
1 1 1    1    5   52 o  181.751   5.9503   89.282   5.8075   94.557   8.8098   85.227   7.7230  186.423   8.7454  177.078   8.0711 9.344513 11.90064 
1 1 1    1    5   53 o  351.330   5.7000  335.702   10.818  334.264   15.465  337.081   15.139  350.564   8.1639  352.097   7.9569 -1.532349 11.40007 
1 1 1    1    5   54 o  104.284   9.0200   30.160   5.0316   28.060   7.5044   31.874   6.7818  100.801   13.777  107.767   11.646 -6.966202 18.03992 
1 1 1    1    5   55 o  359.553   7.9943  354.046   15.495  374.324   22.905  336.937   21.039  368.908   11.490  350.198   11.118 18.71011 15.98859 
1 1 1    1    5   56 o   57.246   14.746   7.8750   6.1285   3.3626   9.3599   11.261   8.1083   51.289   21.064   63.203   20.641 -11.91393 29.49159 
1 1 1    1    5   57 o  317.429   6.7365  278.111   11.160  282.575   14.134  270.721   18.184  321.512   8.1354  313.346   10.740 8.166687 13.47306 
1 1 1    1    5   58 o   98.618   13.653   27.227   7.2756   27.227   7.2756   0.0000   0.0000   98.618   13.653  ?   ?       ?      ? 
1 1 1    1    5   59 o  211.877   5.8191  123.025   6.6529  124.703   9.6983  121.533   9.1434  213.168   8.4195  210.587   8.0350 2.581238 11.63829 
1 1 1    1    5   60 o  194.176   9.1772  105.196   9.5133  110.991   14.787  101.104   12.426  198.209   13.806  190.143   12.094 8.066696 18.35436 
1 1 1    1    5   61 o  133.218   11.779   51.528   8.3592   51.554   12.913   51.509   10.968  132.444   18.043  133.992   15.148 -1.547394 23.55803 
1 1 1    1    5   62 o  119.878   8.7301   40.418   5.6246   42.237   8.4731   38.984   7.5206  122.064   12.846  117.692   11.825 4.372787 17.46025 
1 1 1    1    5   63 o   69.956   12.824   14.156   5.2632   23.942   7.9960   6.6748   6.9913   88.958   17.257   50.953   18.974 38.00539 25.64764 
1 1 1    1    5   64 o  127.576   8.4351   45.343   5.7618   53.181   8.8894   39.664   7.5664  136.866   12.020  118.285   11.838 18.58065 16.87012 
1 1 1    1    5   65 o  175.633   6.7916   86.491   6.4386   90.531   9.3758   82.885   8.8575  179.462   9.6683  171.805   9.5409 7.657806 13.58323 
1 1 1    1    5   66 o  102.045   11.509   32.443   5.9090   22.045   8.4569   42.362   8.2596   82.829   19.259  121.262   12.605 -38.43346 23.01775 
1 1 1    1    5   67 f   55.533   14.083   9.1120   5.6538   4.4305   8.2352   13.286   7.7759   47.540   19.665   63.525   20.165 -15.98507 28.16685 
1 1 1    1    5   68 o  160.925   7.6985   75.396   6.6612   67.238   9.4108   83.588   9.4299  151.536   11.493  170.314   10.246 -18.77809 15.39710 
1 1 1    1    5   69 o   92.936   12.672   30.183   6.1346   17.374   8.8868   41.841   8.4787   68.332   21.544  117.539   13.349 -49.20748 25.34425 
1 1 1    1    6    1 o  688.558   9.8167  1281.54   36.525   0.0000   0.0000  1281.54   36.525  ?   ?   688.558   9.8167      ?      ? 
1 1 1    1    6    2 o  510.342   6.5549  703.693   18.072  692.922   25.202  715.093   25.928  506.325   9.2113  514.359   9.3284 -8.034119 13.10979 
1 1 1    1    6    3 o  386.851   7.4810  404.439   15.638   0.0000   0.0000  404.439   15.638  ?   ?   386.851   7.4810      ?      ? 
1 1 1    1    6    5 o  776.095   9.4751  1628.26   39.731  1643.85   56.739  1613.25   55.653  779.738   13.466  772.452   13.333 7.285950 18.95026 
1 1 1    1    6    7 o  932.680   11.259  2351.85   56.731  2381.22   81.251  2323.91   79.247  938.355   16.024  927.005   15.820 11.34979 22.51780 
1 1 1    1    6    8 o  1231.14   14.721  4101.37   97.924  4074.45  137.551  4129.03  139.440  1227.05   20.745  1235.22   20.891 -8.177002 29.44116 
1 1 1    1    6    9 o  1100.82   13.200  3277.48   78.501  3319.94  112.530  3237.23  109.562  1107.75   18.799  1093.89   18.535 13.86633 26.40016 
1 1 1    1    6   10 o  1235.09   14.755  4128.20   98.461  4166.55  140.622  4091.32  137.908  1240.70   20.975  1229.48   20.758 11.22961 29.50972 
1 1 1    1    6   11 o  1495.25   17.787  6058.12  143.718  6074.77  203.825  6041.65  202.675  1497.29   25.192  1493.21   25.118 4.074097 35.57492 
1 1 1    1    6   12 o  1180.93   14.127  3775.34   90.149  3789.98  128.023  3760.94  126.963  1183.19   20.024  1178.66   19.934 4.531860 28.25473 
1 1 1    1    6   13 o  508.199   6.5406  697.952   17.959  689.678   25.139  706.574   25.664  505.125   9.2101  511.273   9.2894 -6.147949 13.08126 
1 1 1    1    6   14 o  837.124   10.178  1895.52   46.039  1887.76   64.888  1903.39   65.331  835.400   14.374  838.848   14.413 -3.447754 20.35550 
1 1 1    1    6   15 o  1391.54   16.595  5252.08  124.783  5229.20  175.644  5275.39  177.306  1388.50   23.410  1394.59   23.528 -6.091919 33.19048 
1 1 1    1    6   16 o  968.287   11.691  2539.27   61.159  2512.16   85.560  2567.60   87.456  963.017   16.442  973.556   16.624 -10.53912 23.38144 
1 1 1    1    6   17 o  487.700   6.3393  642.822   16.700  630.185   23.238  656.319   24.016  482.748   8.9083  492.651   9.0215 -9.902985 12.67852 
1 1 1    1    6   18 o  556.177   7.0667  836.696   21.238  836.819   30.082  836.575   29.989  556.216   10.009  556.137   9.9790 0.7940674E-01 14.13335 
1 1 1    1    6   19 o  549.811   7.0187  816.747   20.836  794.865   28.783  840.839   30.202  542.089   9.8261  557.533   10.025 -15.44336 14.03739 
1 1 1    1    6   20 o  492.053   6.4206  654.817   17.071  651.026   24.094  658.638   24.192  490.622   9.0882  493.483   9.0720 -2.860565 12.84117 
1 1 1    1    6   21 o  565.056   7.1792  863.401   21.913  848.022   30.507  879.793   31.496  559.866   10.084  570.247   10.221 -10.38098 14.35831 
1 1 1    1    6   22 o  594.162   7.4973  955.209   24.069  945.182   33.740  965.600   34.344  590.991   10.565  597.334   10.640 -6.342468 14.99455 
1 1 1    1    6   23 o  402.086   6.7001  434.648   13.709  445.496   23.940  429.356   16.723  405.709   10.920  398.463   7.7665 7.245575 13.40017 
1 1 1    1    6   24 o  641.108   11.272  1114.27   39.049  1109.91   55.028  1118.69   55.422  639.848   15.915  642.368   15.966 -2.519897 22.54393 
1 1 1    1    6   25 o   78.956   7.4158   16.794   3.1558   15.261   4.3164   18.554   4.6256   75.101   10.636   82.811   10.337 -7.709946 14.83169 
1 1 1    1    6   26 o  493.944   7.8780  658.160   19.872  654.108   24.362  666.216   34.353  491.794   9.1672  496.093   12.815 -4.299377 15.75609 
1 1 1    1    6   27 o  555.406   7.1244  834.339   21.382  832.718   30.251  835.956   30.226  554.867   10.089  555.946   10.061 -1.079651 14.24877 
1 1 1    1    6   28 o  435.820   5.9309  513.471   13.966  507.234   19.608  519.893   19.897  433.135   8.3778  438.506   8.3971 -5.370605 11.86171 
1 1 1    1    6   29 o  763.197   9.4079  1575.78   38.790  1594.71   55.578  1557.80   54.163  767.657   13.398  758.737   13.211 8.919922 18.81577 
1 1 1    1    6   30 o  228.219   7.0120  140.870   8.6389  139.932   12.475  141.734   11.975  227.485   10.148  228.954   9.6792 -1.468323 14.02410 
1 1 1    1    6   31 o  202.444   7.1504  110.853   7.8163  109.910   11.245  111.734   10.873  201.607   10.322  203.280   9.8982 -1.673203 14.30073 
1 1 1    1    6   32 o  741.622   13.095  1490.39   52.474  1495.05   74.557  1485.81   73.867  742.764   18.576  740.480   18.461 2.283875 26.18910 
1 1 1    1    6   33 o  799.396   9.8348  1729.50   42.483  1728.80   60.081  1730.21   60.079  799.232   13.911  799.559   13.906 -0.3268433 19.66957 
1 1 1    1    6   34 o  531.840   6.9714  763.993   20.019  743.076   27.652  787.034   29.021  524.204   9.7618  539.477   9.9554 -15.27295 13.94284 
1 1 1    1    6   35 o  475.064   6.4374  610.277   16.525  611.424   23.414  609.140   23.326  475.508   9.1125  474.620   9.0953 0.8881226 12.87482 
1 1 1    1    6   36 o  626.315   9.8266  1064.67   31.422  1069.62   38.619  1054.95   54.052  628.714   11.367  623.916   16.032 4.798096 19.65326 
1 1 1    1    6   37 o  645.865   10.067  1145.08   33.796  1189.65   42.814  1071.40   55.051  662.995   11.951  628.734   16.204 34.26105 20.13381 
1 1 1    1    6   38 o  838.303   12.753  1901.81   54.079  1920.05   95.167  1893.12   65.722  840.662   20.950  835.945   14.549 4.717346 25.50632 
1 1 1    1    6   39 o  568.076   9.2399  880.093   26.769  855.180   45.917  892.920   32.947  561.716   15.127  574.435   10.614 -12.71857 18.47971 
1 1 1    1    6   40 o  853.656   10.527  1974.62   48.547  1944.61   67.714  2006.37   69.640  847.000   14.795  860.311   14.980 -13.31067 21.05429 
1 1 1    1    6   41 o  614.318   7.9578  1021.38   26.407  1000.60   36.740  1043.58   37.980  607.867   11.185  620.770   11.322 -12.90277 15.91560 
1 1 1    1    6   42 o  848.068   10.475  1951.21   47.998  1934.58   67.347  1968.39   68.425  844.407   14.760  851.728   14.867 -7.320618 20.94950 
1 1 1    1    6   43 o  238.723   5.6758  154.022   7.3025  139.090   10.136  170.136   10.530  226.696   8.2744  250.749   7.7711 -24.05244 11.35152 
1 1 1    1    6   44 o  142.060   7.3626   54.693   5.6490   54.565   8.1123   54.813   7.8710  141.892   10.580  142.228   10.241 -0.3356171 14.72512 
1 1 1    1    6   45 o   85.514   11.581   20.416   5.2224   18.471   7.5692   22.184   7.2146   80.727   17.828   90.300   14.786 -9.572586 23.16131 
1 1 1    1    6   46 o  538.257   8.7123  786.718   23.989  789.640   41.219  785.222   29.500  538.500   14.165  538.014   10.147 0.4865723 17.42450 
1 1 1    1    6   47 o  226.949   6.6136  141.238   7.8454  146.133   10.005  133.423   12.642  232.232   7.9728  221.666   10.554 10.56648 13.22715 
1 1 1    1    6   48 o  281.713   6.4515  215.482   9.4800  215.778   11.945  214.977   15.583  282.139   7.8346  281.288   10.252 0.8512878 12.90294 
1 1 1    1    6   49 f  403.531   6.0142  441.749   13.107  448.945   18.916  435.103   18.178  406.668   8.6078  400.395   8.4017 6.273315 12.02845 
1 1 1    1    6   50 o  270.089   5.4383  197.892   7.9356  193.070   11.199  202.754   11.246  266.774   7.7688  273.404   7.6122 -6.630646 10.87658 
1 1 1    1    6   51 o   52.623   13.115   6.6815   4.6648   8.4372   6.8018   5.1226   6.4096   56.527   18.924   48.720   18.162 7.806717 26.22926 
1 1 1    1    6   52 o  193.245   5.8140  101.302   6.0539  104.614   8.9602   98.520   8.2117  196.109   8.4554  190.381   7.9822 5.728226 11.62796 
1 1 1    1    6   53 o  256.952   5.5033  179.408   7.6257  181.133   11.169  177.901   10.437  258.061   8.0095  255.844   7.5494 2.217636 11.00662 
1 1 1    1    6   54 o  139.685   9.1320   53.771   6.8860   54.932   10.005   52.725   9.4921  141.070   13.124  138.300   12.701 2.770248 18.26396 
1 1 1    1    6   55 o  266.561   7.3573  194.898   10.597  196.824   14.988  192.973   14.985  267.897   10.354  265.225   10.455 2.672729 14.71451 
1 1 1    1    6   56 o  236.928   6.6362  151.148   8.1984  144.224   10.220  163.649   13.732  229.820   8.2293  244.035   10.413 -14.21527 13.27243 
1 1 1    1    6   57 o   92.828   10.396   23.746   4.8918   35.630   7.6263   15.439   6.3765  113.226   12.465   72.431   16.641 40.79541 20.79198 
1 1 1    1    6   58 o  274.120   5.5490  205.126   8.2017  212.110   12.076  199.146   11.174  278.362   8.0283  269.878   7.6625 8.484131 11.09808 
1 1 1    1    6   59 o   40.055   12.032  -1.0127   4.7881   4.6596   7.1079  -5.7252   6.4786   48.077   18.824   32.033   14.991 16.04366 24.06397 
1 1 1    1    6   60 o  238.571   8.5574  156.214   10.891  179.797   17.156  140.293   14.096  253.035   12.547  224.107   11.640 28.92792 17.11479 
1 1 1    1    6   61 o  214.948   9.0634  131.225   10.448  123.491   15.446  137.748   14.185  208.396   13.716  221.500   11.851 -13.10422 18.12686 
1 1 1    1    6   62 f  204.130   6.3352  114.952   6.9522  118.477   10.435  112.139   9.3227  206.728   9.3410  201.533   8.5606 5.194931 12.67042 
1 1 1    1    6   63 o  127.983   8.2841   46.372   5.7085   44.398   8.3102   48.136   7.8552  125.118   12.291  130.847   11.110 -5.728653 16.56820 
1 1 1    1    6   64 o  116.469   9.0867   38.659   5.7016   43.055   8.3268   34.780   7.8232  122.830   12.545  110.108   13.149 12.72153 18.17343 
1 1 1    1    6   65 o  162.826   7.3436   74.736   6.4405   83.535   9.4527   67.112   8.7989  171.877   10.178  153.776   10.589 18.10153 14.68716 
1 1 1    1    6   66 o  115.736   11.313   41.176   6.1870   65.687   9.1290   20.353   8.4142  152.140   11.104   79.332   19.714 72.80773 22.62663 
1 1 1    1    6   67 o   67.715   14.431   15.889   5.7246   16.598   7.9840   15.140   8.2124   69.421   20.118   66.008   20.695 3.413025 28.86151 
1 1 1    1    6   68 o  249.171   6.1856  174.761   8.3172  183.881   12.155  166.730   11.406  255.188   8.8143  243.154   8.6806 12.03409 12.37115 
1 1 1    1    6   69 o  108.272   10.632   37.088   6.1559   34.556   9.1092   39.216   8.3515  103.526   16.283  113.018   13.675 -9.491890 21.26385 
1 1 1    1    7    1 o  549.921   9.8493  817.361   29.268   0.0000   0.0000  817.361   29.268  ?   ?   549.921   9.8493      ?      ? 
1 1 1    1    7    2 o  646.302   9.1529  1156.10   28.761  1067.12   53.047  1193.15   34.228  628.178   15.627  664.425   9.5334 -36.24707 18.30581 
1 1 1    1    7    4 o  447.104   5.9369  540.240   14.344  539.033   20.270  541.450   20.299  446.604   8.3995  447.604   8.3927 -1.000519 11.87383 
1 1 1    1    7    5 o  1644.34   19.536  7326.01  173.588  7306.42  244.930  7345.77  246.054  1642.13   27.602  1646.54   27.655 -4.407227 39.07265 
1 1 1    1    7    7 o  702.048   8.6756  1331.76   32.898  1355.26   47.354  1309.84   45.739  708.028   12.377  696.068   12.160 11.95935 17.35123 
1 1 1    1    7    8 o  1068.05   12.834  3086.32   74.065  3099.87  105.255  3073.02  104.240  1070.37   18.198  1065.73   18.101 4.637817 25.66717 
1 1 1    1    7   10 o  351.699   7.1097  334.280   13.512   0.0000   0.0000  334.280   13.512  ?   ?   351.699   7.1097      ?      ? 
1 1 1    1    7   11 o  927.127   11.217  2325.33   56.195  2335.50   79.826  2315.35   79.120  929.133   15.899  925.121   15.827 4.011169 22.43411 
1 1 1    1    7   12 o  852.509   10.359  1965.81   47.718  1974.78   67.796  1957.01   67.174  854.433   14.684  850.586   14.615 3.847168 20.71732 
1 1 1    1    7   13 o  888.977   10.781  2137.99   51.784  2117.68   72.568  2159.07   73.917  884.680   15.180  893.274   15.313 -8.593445 21.56226 
1 1 1    1    7   14 o  182.221   4.0211   89.690   3.9548   83.836   5.5253   95.839   5.6632  176.127   5.8055  188.315   5.5653 -12.18867 8.042149 
1 1 1    1    7   15 f  389.560   5.3893  410.268   11.345  410.124   16.092  410.410   15.996  389.491   7.6458  389.629   7.5975 -0.1374817 10.77868 
1 1 1    1    7   16 o  488.661   9.0193  645.738   23.816   0.0000   0.0000  645.738   23.816  ?   ?   488.661   9.0193      ?      ? 
1 1 1    1    7   17 o  521.964   6.7292  736.855   18.980  737.647   26.917  736.072   26.766  522.242   9.5384  521.686   9.4946 0.5552979 13.45842 
1 1 1    1    7   18 o  374.073   5.2629  378.323   10.638  377.552   15.086  379.086   15.003  373.693   7.4708  374.453   7.4148 -0.7602539 10.52578 
1 1 1    1    7   19 o  496.116   6.4759  665.578   17.358  671.873   24.828  659.559   24.277  498.407   9.2186  493.825   9.0977 4.581604 12.95187 
1 1 1    1    7   20 o  924.576   11.230  2316.98   56.102  2293.41   78.632  2341.42   80.069  919.799   15.820  929.352   15.944 -9.553894 22.46096 
1 1 1    1    7   21 o  606.147   7.6567  992.940   25.050  1022.66   36.498  966.468   34.443  614.696   10.988  597.599   10.666 17.09723 15.31336 
1 1 1    1    7   22 o  634.463   11.180  1090.92   38.310  1111.26   55.243  1072.07   53.173  640.134   15.970  628.792   15.649 11.34210 22.35974 
1 1 1    1    7   23 o  258.222   5.9063  180.333   8.2405  177.185   11.645  183.491   11.663  255.963   8.4191  260.482   8.2860 -4.519135 11.81265 
1 1 1    1    7   24 o  419.987   7.9540  477.323   18.049  479.955   25.736  474.775   25.320  421.123   11.310  418.852   11.187 2.271271 15.90791 
1 1 1    1    7   25 o  445.983   6.0050  537.746   14.469  543.664   20.693  532.085   20.239  448.382   8.5407  443.585   8.4437 4.796356 12.00998 
1 1 1    1    7   26 f  556.832   7.1530  838.644   21.523  837.346   30.464  839.937   30.412  556.401   10.132  557.263   10.099 -0.8620605 14.30607 
1 1 1    1    7   27 o  841.221   10.287  1915.13   46.743  1883.83   65.054  1948.53   67.208  834.133   14.433  848.309   14.662 -14.17596 20.57344 
1 1 1    1    7   28 o  773.540   9.5305  1619.31   39.836  1611.47   56.157  1627.26   56.519  771.656   13.468  775.423   13.489 -3.767151 19.06100 
1 1 1    1    7   29 o  439.777   7.4696  523.494   16.671  524.412   20.351  521.622   29.067  440.431   8.5511  439.121   12.250 1.310028 14.93929 
1 1 1    1    7   30 o  1173.89   20.063  3745.71  127.244  3704.96  178.003  3788.29  181.962  1167.40   28.218  1180.37   28.528 -12.97522 40.12590 
1 1 1    1    7   31 o  515.239   9.7850  718.259   27.240  707.432   38.162  729.505   38.895  511.283   13.813  519.195   13.863 -7.911743 19.57007 
1 1 1    1    7   32 o  304.993   6.4173  251.831   9.7368  250.676   17.615  252.340   11.684  304.445   10.707  305.540   7.0768 -1.095123 12.83454 
1 1 1    1    7   33 o  507.597   6.7353  696.644   18.473  691.510   25.958  701.914   26.295  505.703   9.4991  509.491   9.5512 -3.787842 13.47062 
1 1 1    1    7   34 o  296.340   5.1070  237.342   8.1771  232.773   11.480  242.048   11.650  293.445   7.2397  299.235   7.2051 -5.789764 10.21409 
1 1 1    1    7   35 o  182.478   5.5720   90.028   5.4928   87.206   7.7353   92.897   7.8010  179.593   7.9707  185.364   7.7882 -5.770615 11.14400 
1 1 1    1    7   36 o  233.175   6.8808  147.905   7.9418  149.176   9.5100  144.977   14.437  234.894   7.4924  231.456   11.543 3.437469 13.76150 
1 1 1    1    7   37 o  1040.68   15.594  2927.75   81.847  2986.49  145.189  2900.38   99.093  1047.22   25.657  1034.14   17.733 13.08081 31.18884 
1 1 1    1    7   38 o  424.629   7.7739  491.515   16.668  477.928   29.160  498.109   20.315  420.111   12.845  429.147   8.7602 -9.035889 15.54781 
1 1 1    1    7   39 f  732.865   9.2054  1454.42   36.453  1442.90   51.253  1466.22   51.856  729.930   12.994  735.799   13.042 -5.869568 18.41071 
1 1 1    1    7   40 o  685.601   8.6988  1273.25   32.226  1277.36   45.821  1269.22   45.331  686.690   12.349  684.512   12.255 2.177551 17.39767 
1 1 1    1    7   41 o  454.318   6.4565  558.414   15.849  550.589   22.235  566.496   22.598  451.084   9.1221  457.552   9.1398 -6.468231 12.91307 
1 1 1    1    7   42 o  294.074   5.6182  233.862   8.9239  237.984   12.849  230.020   12.404  296.572   8.0174  291.576   7.8726 4.996826 11.23639 
1 1 1    1    7   43 o  390.144   5.9357  412.015   12.514  409.184   17.668  414.865   17.725  388.797   8.4098  391.490   8.3789 -2.692230 11.87142 
1 1 1    1    7   44 o  563.695   7.4469  861.185   22.680  867.487   32.401  855.130   31.757  565.705   10.599  561.685   10.463 4.020020 14.89375 
1 1 1    1    7   45 o  621.469   8.0538  1048.31   27.046  1044.40   38.222  1052.23   38.277  620.305   11.403  622.632   11.377 -2.327087 16.10761 
1 1 1    1    7   46 o  561.771   9.0620  853.495   25.857  873.423   45.278  843.850   31.498  565.964   14.805  557.579   10.454 8.384521 18.12398 
1 1 1    1    7   47 o  451.593   7.7755  553.414   17.979  556.757   30.853  551.695   22.124  452.207   12.626  450.980   9.0785 1.226837 15.55108 
1 1 1    1    7   48 o  568.872   9.1483  887.455   26.894  898.451   33.582  867.793   44.906  574.657   10.815  563.088   14.758 11.56897 18.29657 
1 1 1    1    7   49 o  129.245   7.5549   45.310   5.2597   50.692   7.6631   40.515   7.2322  136.503   10.389  121.986   10.972 14.51669 15.10986 
1 1 1    1    7   50 o  225.628   5.5502  137.632   6.7513  146.084   9.9714  130.477   9.1739  231.985   7.9544  219.270   7.7426 12.71544 11.10050 
1 1 1    1    7   51 o   91.858   9.5996   23.292   4.7393   21.390   6.8649   25.024   6.5508   88.162   14.410   95.554   12.687 -7.392365 19.19915 
1 1 1    1    7   52 o   37.546   11.492  -1.7800   4.5795  -7.8115   7.1000   2.5170   5.9928   32.577   15.384   42.514   17.076 -9.936035 22.98369 
1 1 1    1    7   53 o  148.107   8.6807   60.389   6.9292   58.018   10.040   62.545   9.5755  145.220   12.794  150.994   11.736 -5.773849 17.36136 
1 1 1    1    7   54 o  255.954   7.3468  178.224   10.122  196.126   15.130  163.716   13.620  267.477   10.468  244.432   10.311 23.04546 14.69350 
1 1 1    1    7   55 o  134.635   8.5307   51.526   6.0007   58.711   7.9404   41.959   9.1627  146.341   10.041  122.928   13.794 23.41277 17.06148 
1 1 1    1    7   56 o  141.418   7.2763   55.654   5.4913   48.692   8.0627   61.677   7.4996  132.832   11.233  150.004   9.2523 -17.17216 14.55268 
1 1 1    1    7   57 f   43.611   12.627   2.4460   4.7424   1.1169   7.2014   3.4638   6.3019   42.765   18.085   44.457   17.625 -1.692677 25.25311 
1 1 1    1    7   58 o  179.017   6.2393   88.015   6.0159   88.467   8.8817   87.632   8.1773  179.323   9.1658  178.710   8.4679 0.6136017 12.47865 
1 1 1    1    7   59 o   77.073   11.815   18.497   5.0011   9.2679   7.4111   26.213   6.7765   57.499   19.749   96.647   12.976 -39.14832 23.62990 
1 1 1    1    7   60 o  132.281   11.835   49.810   8.3768   60.270   12.814   42.005   11.070  144.353   16.428  120.209   17.041 24.14400 23.67043 
1 1 1    1    7   61 o  111.129   13.816   37.016   8.0882   41.374   12.346   33.739   10.706  117.447   19.453  104.811   19.624 12.63640 27.63158 
1 1 1    1    7   62 o   44.202   12.670   2.3910   5.0840  -4.0940   8.0454   6.7018   6.5596   37.888   17.367   50.515   18.454 -12.62616 25.34063 
1 1 1    1    7   63 o  101.381   10.212   29.355   5.5443   35.387   8.3655   24.631   7.4038  110.754   13.978   92.007   14.892 18.74664 20.42421 
1 1 1    1    7   64 o   85.064   12.367   22.803   5.5678   16.409   8.1095   28.506   7.6581   71.251   20.158   98.878   14.333 -27.62713 24.73432 
1 1 1    1    7   65 o  169.367   7.0861   80.524   6.4674   85.936   9.5913   76.012   8.7581  174.452   10.175  164.283   9.8657 10.16907 14.17227 
1 1 1    1    7   66 o  220.421   6.3195  135.596   7.5220  135.541   10.833  135.648   10.453  220.247   9.1020  220.596   8.7691 -0.3488464 12.63895 
1 1 1    1    7   67 o  128.424   9.0369   49.336   6.2538   54.376   9.0289   44.688   8.6703  135.121   12.366  121.728   13.181 13.39329 18.07373 
1 1 1    1    7   68 o   59.396   14.475   11.959   5.8927   7.4776   8.6808   15.789   8.0249   51.502   20.599   67.291   20.343 -15.78954 28.95090 
1 1 1    1    8    0 o  1214.88   16.659  4041.37   96.489  3900.90  185.809  4093.23  112.907  1199.62   28.664  1230.14   16.985 -30.52185 33.31855 
1 1 1    1    8    1 o  834.904   14.364  1884.91   64.803   0.0000   0.0000  1884.91   64.803  ?   ?   834.904   14.364      ?      ? 
1 1 1    1    8    2 o  1188.27   16.343  3854.94   92.157  3756.76  179.198  3890.25  107.455  1177.28   28.169  1199.27   16.581 -21.99353 32.68674 
1 1 1    1    8    5 o  1075.06   12.941  3126.78   75.167  3159.44  107.492  3095.53  105.151  1080.54   18.410  1069.57   18.193 10.96436 25.88284 
1 1 1    1    8    8 o  930.449   15.967  2342.13   80.279   0.0000   0.0000  2342.13   80.279  ?   ?   930.449   15.967      ?      ? 
1 1 1    1    8   10 o  475.629   6.2701  611.282   16.111  619.835   23.104  603.186   22.477  478.865   8.9288  472.393   8.8052 6.472137 12.54017 
1 1 1    1    8   12 o  308.556   6.7094  257.329   11.187   0.0000   0.0000  257.329   11.187  ?   ?   308.556   6.7094      ?      ? 
1 1 1    1    8   14 o  573.419   10.318  889.399   31.972   0.0000   0.0000  889.399   31.972  ?   ?   573.419   10.318      ?      ? 
1 1 1    1    8   15 o  555.659   10.038  835.144   30.141   0.0000   0.0000  835.144   30.141  ?   ?   555.659   10.038      ?      ? 
1 1 1    1    8   16 o  994.333   12.025  2680.08   64.608  2661.75   90.814  2698.87   91.935  990.899   16.960  997.767   17.051 -6.868408 24.05016 
1 1 1    1    8   17 o  559.032   7.1495  845.224   21.594  834.285   30.224  856.629   30.863  555.341   10.072  562.723   10.150 -7.382324 14.29896 
1 1 1    1    8   18 f  622.285   7.8423  1047.89   26.371  1046.70   37.275  1049.09   37.313  621.930   11.091  622.639   11.090 -0.7088623 15.68462 
1 1 1    1    8   19 o  123.328   5.6722   41.760   3.5450   39.279   6.1047   43.023   4.3544  120.502   9.3752  126.154   6.3876 -5.651810 11.34443 
1 1 1    1    8   20 o  420.358   7.9944  476.293   18.099  502.252   26.947  454.955   24.430  430.731   11.577  409.986   11.027 20.74512 15.98873 
1 1 1    1    8   21 o  596.445   10.611  963.316   34.169  986.487   49.572  942.342   47.163  603.245   15.208  589.645   14.802 13.60028 21.22200 
1 1 1    1    8   22 o  362.040   7.2053  353.884   14.071  366.667   20.645  342.793   19.230  368.124   10.378  355.956   9.9977 12.16763 14.41061 
1 1 1    1    8   23 o  255.495   4.5214  176.300   6.2388  181.256   9.0091  171.733   8.6478  258.940   6.4386  252.049   6.3494 6.891800 9.042747 
1 1 1    1    8   24 o  652.191   8.1834  1150.51   28.831  1130.96   40.152  1171.32   41.422  646.482   11.494  657.900   11.652 -11.41754 16.36672 
1 1 1    1    8   25 f  695.691   8.6699  1309.68   32.592  1302.05   45.909  1317.43   46.277  693.649   12.248  697.732   12.274 -4.083313 17.33978 
1 1 1    1    8   26 f  174.264   6.4825   82.084   6.1044   0.0000   0.0000   82.084   6.1044  ?   ?   174.264   6.4825      ?      ? 
1 1 1    1    8   27 o  839.463   10.286  1907.65   46.657  1900.02   65.801  1915.36   66.166  837.777   14.535  841.149   14.557 -3.372681 20.57131 
1 1 1    1    8   28 o  416.411   7.2611  465.680   15.217  460.176   18.373  477.703   27.153  412.584   8.2409  420.238   11.957 -7.654266 14.52216 
1 1 1    1    8   29 o  1004.89   17.311  2740.91   93.996  2750.00  133.516  2731.98  132.351  1006.52   24.548  1003.25   24.414 3.277283 34.62144 
1 1 1    1    8   30 o  523.495   9.9324  741.563   28.093  746.847   40.132  736.487   39.337  525.318   14.138  521.673   13.955 3.645081 19.86483 
1 1 1    1    8   31 o  460.835   7.8751  568.377   18.067  589.865   32.975  559.159   21.598  466.899   13.070  454.770   8.7887 12.12891 15.75014 
1 1 1    1    8   32 o  315.178   5.1960  268.486   8.8482  270.537   12.633  266.511   12.397  316.358   7.3901  313.997   7.3061 2.360840 10.39194 
1 1 1    1    8   33 f  525.833   6.9626  747.737   19.784  745.044   27.941  750.444   28.016  524.883   9.8512  526.782   9.8420 -1.898987 13.92515 
1 1 1    1    8   34 o  900.903   11.023  2197.97   53.647  2169.30   74.879  2228.20   76.899  894.884   15.485  906.921   15.691 -12.03705 22.04534 
1 1 1    1    8   35 f  495.093   8.3500  661.898   20.871  659.224   25.319  667.568   36.866  493.685   9.4910  496.501   13.741 -2.816620 16.69996 
1 1 1    1    8   36 o  699.867   8.8256  1325.73   33.374  1333.78   47.556  1317.93   46.849  701.953   12.537  697.781   12.425 4.172180 17.65117 
1 1 1    1    8   37 o  677.544   10.596  1255.95   36.882  1204.73   62.101  1283.87   45.843  666.442   17.244  688.644   12.319 -22.20209 21.19289 
1 1 1    1    8   38 f  578.152   7.6175  903.821   23.786  882.871   32.997  926.481   34.318  571.190   10.691  585.113   10.854 -13.92310 15.23497 
1 1 1    1    8   39 o  385.976   5.9926  402.874   12.495  406.543   17.930  399.409   17.422  387.680   8.5587  384.272   8.3901 3.407715 11.98524 
1 1 1    1    8   40 o  683.398   8.6846  1265.25   32.070  1256.97   45.174  1273.66   45.537  681.146   12.273  685.651   12.291 -4.504944 17.36922 
1 1 1    1    8   41 o  916.350   11.257  2280.14   55.739  2291.44   79.320  2269.11   78.342  918.576   15.980  914.124   15.860 4.451965 22.51439 
1 1 1    1    8   42 o  299.592   5.6525  242.808   9.1484  246.865   13.121  238.969   12.762  302.024   8.0396  297.159   7.9477 4.864258 11.30492 
1 1 1    1    8   43 o  307.290   5.5848  255.612   9.2692  254.097   13.292  257.047   12.933  306.394   8.0281  308.185   7.7659 -1.791412 11.16960 
1 1 1    1    8   44 o  273.444   5.5854  202.215   8.2465  191.302   11.476  213.867   11.858  265.818   7.9896  281.071   7.8073 -15.25336 11.17081 
1 1 1    1    8   45 o  370.722   5.8500  372.308   11.719  367.970   16.505  376.719   16.641  368.543   8.2879  372.902   8.2583 -4.359192 11.69996 
1 1 1    1    8   46 o  546.062   7.3241  809.287   21.604  819.461   31.031  799.718   30.096  549.367   10.453  542.757   10.262 6.609497 14.64822 
1 1 1    1    8   47 o  406.747   7.3152  447.918   15.238  454.730   26.196  444.434   18.734  408.710   11.861  404.783   8.5648 3.927307 14.63034 
1 1 1    1    8   48 o  345.101   5.7039  322.453   10.619  334.208   15.562  312.207   14.528  350.951   8.2057  339.251   7.9249 11.69897 11.40781 
1 1 1    1    8   49 o  280.696   6.4088  209.001   9.2823  197.915   11.396  230.856   16.000  270.097   7.8080  291.296   10.165 -21.19843 12.81766 
1 1 1    1    8   50 o  225.135   5.6406  137.564   6.8524  127.649   9.5588  148.045   9.8283  216.769   8.1605  233.501   7.7893 -16.73204 11.28128 
1 1 1    1    8   51 o   44.097   12.620   2.4900   4.6713   1.8847   6.7674   3.0410   6.4562   43.496   17.893   44.698   17.802 -1.201984 25.23982 
1 1 1    1    8   52 o  147.341   8.5605   59.303   6.7882   67.275   9.9172   52.275   9.3115  156.691   11.713  137.991   12.488 18.70026 17.12095 
1 1 1    1    8   53 f  145.025   8.9369   58.587   6.9173   49.707   9.9859   66.779   9.5912  134.076   13.783  155.974   11.380 -21.89745 17.87383 
1 1 1    1    8   54 o  103.949   8.9973   29.683   5.0378   33.085   7.4261   26.782   6.8569  109.466   12.554   98.431   12.892 11.03458 17.99458 
1 1 1    1    8   55 o  132.222   7.3684   47.921   5.1659   61.185   7.5813   36.424   7.0581  149.474   9.3862  114.971   11.361 34.50311 14.73678 
1 1 1    1    8   56 o  102.840   12.221   29.351   6.7914   0.0000   0.0000   29.351   6.7914  ?   ?   102.840   12.221      ?      ? 
1 1 1    1    8   57 o  137.671   7.3681   52.281   5.4516   52.617   8.1529   52.009   7.3317  137.922   10.939  137.419   9.8735 0.5030670 14.73612 
1 1 1    1    8   58 o  137.419   7.2968   51.581   5.3788   57.739   8.2376   47.005   7.1018  144.404   10.557  130.432   10.076 13.97203 14.59364 
1 1 1    1    8   59 o  151.624   8.7110   62.439   6.6831   58.984   8.0446   70.135   12.006  145.913   10.203  157.335   14.122 -11.42174 17.42194 
1 1 1    1    8   60 o  130.984   11.819   49.470   8.3292   55.923   12.417   44.189   11.231  138.774   16.558  123.195   16.871 15.57889 23.63885 
1 1 1    1    8   61 o  125.987   12.676   46.550   8.2704   60.248   12.513   35.923   11.021  143.860   16.096  108.114   19.586 35.74615 25.35152 
1 1 1    1    8   62 o   77.894   12.507   18.941   5.2676   14.027   7.9928   22.714   7.0038   67.008   20.312   88.780   14.599 -21.77163 25.01467 
1 1 1    1    8   63 o  160.166   7.1858   71.493   6.2006   76.108   9.2140   67.673   8.3828  164.764   10.349  155.568   9.9720 9.195923 14.37158 
1 1 1    1    8   64 o  133.749   8.2281   50.777   5.9147   55.142   8.9475   47.390   7.8827  138.611   11.946  128.886   11.318 9.725540 16.45618 
1 1 1    1    8   65 o  160.555   7.7124   74.024   6.5887   62.082   9.5500   84.872   9.1018  147.235   12.003  173.874   9.6874 -26.63951 15.42484 
1 1 1    1    8   66 o   87.011   12.785   24.425   5.9186   17.727   8.5059   30.711   8.2406   72.635   20.678  101.386   15.042 -28.75056 25.57038 
1 1 1    1    8   67 o   67.036   14.206   15.952   5.5982   14.072   8.1693   17.617   7.6868   62.854   20.728   71.219   19.433 -8.364983 28.41262 
1 1 1    1    8   68 o   81.798   13.484   23.347   5.9368   17.941   8.4335   28.657   8.3588   70.237   20.769   93.360   17.203 -23.12326 26.96849 
1 1 1    1    9    0 o  321.731   5.6106  270.556   8.3276  297.522   17.400  262.544   9.4844  331.762   9.7060  311.700   5.6310 20.06223 11.22119 
1 1 1    1    9    1 o  403.621   5.6404  440.227   12.302   0.0000   0.0000  440.227   12.302  ?   ?   403.621   5.6404      ?      ? 
1 1 1    1    9    2 o  733.372   11.043  1460.89   41.517  1436.04   70.678  1473.99   51.300  728.442   17.956  738.302   12.859 -9.859802 22.08509 
1 1 1    1    9    6 o  503.158   6.5957  684.273   17.932  678.610   25.188  690.092   25.535  501.048   9.3029  505.268   9.3524 -4.219696 13.19134 
1 1 1    1    9    9 o  1534.72   18.323  6394.83  151.894  6496.53  218.498  6299.71  211.303  1546.45   26.147  1522.99   25.676 23.45911 36.64581 
1 1 1    1    9   11 o  585.825   7.4604  928.279   23.615  932.527   33.599  924.132   33.198  587.146   10.590  584.503   10.511 2.643860 14.92079 
1 1 1    1    9   12 o  706.389   8.7711  1350.28   33.477  1359.77   47.715  1341.08   46.981  708.828   12.457  703.950   12.351 4.877502 17.54218 
1 1 1    1    9   13 o  391.198   5.4926  413.502   11.605  421.779   16.722  405.811   16.119  394.970   7.8350  387.426   7.6997 7.544006 10.98510 
1 1 1    1    9   14 o  401.452   5.5933  435.439   12.126  444.366   17.517  427.224   16.803  405.397   7.9965  397.507   7.8229 7.889862 11.18668 
1 1 1    1    9   15 o  905.829   11.041  2222.70   54.029  2252.53   77.553  2194.57   75.312  911.711   15.742  899.947   15.487 11.76367 22.08261 
1 1 1    1    9   16 o  395.268   5.5656  422.286   11.883  428.252   17.087  416.698   16.537  397.968   7.9457  392.569   7.7955 5.399475 11.13118 
1 1 1    1    9   17 o  332.956   6.1377  294.941   10.303  313.288   18.473  286.658   12.412  340.293   10.046  325.619   7.0544 14.67438 12.27545 
1 1 1    1    9   18 o  493.671   9.1101  658.798   24.274  635.586   33.363  684.910   35.385  484.461   12.744  502.882   13.022 -18.42160 18.22027 
1 1 1    1    9   19 o  389.321   7.6402  410.212   16.072  404.279   22.661  416.216   22.799  386.486   10.851  392.156   10.759 -5.670044 15.28035 
1 1 1    1    9   20 o  860.190   12.813  2021.16   56.890  2053.00   70.983  1963.96   95.128  870.322   15.093  850.058   20.709 20.26385 25.62597 
1 1 1    1    9   21 o  581.465   7.4378  914.707   23.368  905.786   32.794  923.909   33.306  578.587   10.489  584.342   10.548 -5.754883 14.87563 
1 1 1    1    9   22 o  177.284   4.5569   84.834   4.3584   87.125   6.3787   82.828   5.9691  179.523   6.5754  175.044   6.3106 4.478989 9.113761 
1 1 1    1    9   23 o  427.328   5.8948  493.593   13.608  500.631   19.534  486.959   18.967  430.284   8.4015  424.373   8.2711 5.910736 11.78965 
1 1 1    1    9   24 o  708.772   8.8441  1359.44   33.870  1365.05   48.226  1353.98   47.580  710.210   12.566  707.335   12.448 2.875000 17.68823 
1 1 1    1    9   25 o  1218.06   14.638  4025.87   96.350  4022.17  136.211  4029.58  136.309  1217.50   20.704  1218.62   20.700 -1.122314 29.27689 
1 1 1    1    9   26 o  124.953   5.6409   42.168   3.8012   42.830   5.5721   41.592   5.1988  125.867   8.1926  124.038   7.7563 1.829086 11.28180 
1 1 1    1    9   27 o  786.673   13.838  1677.25   58.822  1676.13   83.250  1678.38   83.124  786.406   19.591  786.940   19.548 -0.5335693 27.67517 
1 1 1    1    9   28 o  692.701   12.399  1298.52   46.381  1326.13   67.055  1273.20   64.223  699.735   17.734  685.666   17.334 14.06873 24.79826 
1 1 1    1    9   29 o  939.025   16.270  2392.67   82.546  2412.16  117.820  2373.87  115.686  942.760   23.128  935.290   22.890 7.469360 32.53977 
1 1 1    1    9   30 o  1173.88   17.403  3730.00  103.354  3779.28  181.960  3706.53  125.577  1178.50   28.573  1169.25   19.875 9.256958 34.80597 
1 1 1    1    9   31 o  884.974   10.822  2120.28   51.750  2105.96   72.807  2134.90   73.569  881.957   15.277  887.991   15.332 -6.033752 21.64384 
1 1 1    1    9   32 o  711.868   8.9132  1370.52   34.275  1346.10   47.722  1396.54   49.258  705.328   12.521  718.408   12.689 -13.08020 17.82635 
1 1 1    1    9   33 o  758.769   9.4392  1558.47   38.702  1555.41   54.692  1561.53   54.774  758.024   13.352  759.514   13.346 -1.489929 18.87844 
1 1 1    1    9   34 o  441.794   7.8946  521.386   17.328  511.296   20.667  545.270   31.797  434.815   8.7960  448.773   13.112 -13.95798 15.78917 
1 1 1    1    9   35 o  307.890   7.6947  256.304   12.802  256.304   12.802   0.0000   0.0000  307.890   7.6947  ?   ?       ?      ? 
1 1 1    1    9   36 o  636.550   10.115  1101.54   32.756  1086.04   56.679  1109.32   40.137  632.888   16.573  640.211   11.602 -7.323303 20.23071 
1 1 1    1    9   37 o  379.057   8.3641  388.583   17.132   0.0000   0.0000  388.583   17.132  ?   ?   379.057   8.3641      ?      ? 
1 1 1    1    9   38 o  491.571   6.8355  651.781   18.116  682.343   26.732  625.824   24.636  502.182   9.8510  480.960   9.4791 21.22202 13.67100 
1 1 1    1    9   39 o  523.396   7.0914  741.444   20.056  734.202   28.235  748.818   28.493  520.816   10.033  525.975   10.025 -5.158875 14.18286 
1 1 1    1    9   40 o  395.503   6.1079  423.212   13.053  424.939   18.527  421.510   18.394  396.303   8.6514  394.703   8.6244 1.600342 12.21583 
1 1 1    1    9   41 o  725.493   9.1696  1427.31   35.938  1402.47   50.100  1453.65   51.579  719.010   12.895  731.976   13.040 -12.96576 18.33917 
1 1 1    1    9   42 o  232.906   5.8228  146.753   7.3257  152.277   10.485  141.485   10.240  237.189   8.1803  228.624   8.2888 8.564728 11.64567 
1 1 1    1    9   43 o  262.418   5.5928  186.432   7.9298  189.149   11.190  183.690   11.239  264.344   7.8335  260.492   7.9847 3.852051 11.18569 
1 1 1    1    9   44 o  468.544   6.6219  594.947   16.764  585.651   23.500  604.579   23.921  464.819   9.3560  472.268   9.3735 -7.448547 13.24373 
1 1 1    1    9   45 o  586.439   7.7135  933.944   24.442  935.880   34.793  932.057   34.343  587.022   10.969  585.855   10.848 1.167236 15.42709 
1 1 1    1    9   46 o  542.615   7.2956  799.722   21.391  795.840   30.231  803.616   30.273  541.291   10.335  543.939   10.300 -2.647827 14.59121 
1 1 1    1    9   47 o  377.395   5.9450  386.488   12.120  386.339   17.350  386.629   16.939  377.304   8.5097  377.486   8.3040 -0.1818542 11.88998 
1 1 1    1    9   48 o  106.133   10.414   30.882   5.6388   30.788   9.7160   30.930   6.9243  105.768   17.000  106.498   12.032 -0.7302017 20.82719 
1 1 1    1    9   49 o  201.667   6.8454  112.078   7.2702  117.742   9.4309  103.784   11.414  208.203   8.3826  195.130   10.825 13.07298 13.69083 
1 1 1    1    9   50 o   50.714   13.794   3.1446   5.7786   9.8131   8.2908  -3.1554   8.0585   61.166   20.890   40.261   18.018 20.90472 27.58718 
1 1 1    1    9   51 o   62.545   14.877   9.6714   6.0681   14.932   9.2493   5.6959   8.0402   72.196   21.843   52.895   20.203 19.30079 29.75360 
1 1 1    1    9   52 o   89.642   13.103   23.300   6.1825   20.597   9.3728   25.383   8.2259   83.710   20.810   95.573   15.928 -11.86285 26.20609 
1 1 1    1    9   53 o  242.312   5.6183  159.936   7.3479  160.847   10.665  159.113   10.138  242.922   8.1245  241.701   7.7623 1.221176 11.23660 
1 1 1    1    9   54 o   61.375   19.426   10.693   7.2199   10.693   7.2199   0.0000   0.0000   61.375   19.426  ?   ?       ?      ? 
1 1 1    1    9   55 o  250.403   5.5666  171.206   7.5301  170.361   10.761  172.015   10.541  249.765   7.9730  251.042   7.7705 -1.276505 11.13320 
1 1 1    1    9   56 o  120.098   8.1299   40.036   5.2526   38.741   7.7236   41.151   7.1645  118.130   12.100  122.067   10.862 -3.937172 16.25975 
1 1 1    1    9   57 o   51.480   13.136   5.6538   4.9149   11.082   7.4182   1.4063   6.5618   61.587   19.712   41.373   17.367 20.21375 26.27121 
1 1 1    1    9   58 o  305.420   5.6675  254.704   9.3234  268.098   13.870  243.664   12.593  312.607   8.2111  298.234   7.8139 14.37219 11.33492 
1 1 1    1    9   59 o   75.546   15.035   18.307   6.3398   20.172   7.7620   14.570   10.989   81.655   18.070   69.438   24.036 12.21696 30.07043 
1 1 1    1    9   60 o   60.208   15.242   6.1710   7.9102 -11.0270   11.813   20.149   10.650   41.355   19.622   79.061   23.329 -37.70592 30.48378 
1 1 1    1    9   61 o   57.472   16.577   6.7666   8.1328   5.2748   12.163   7.9730   10.937   56.553   23.688   58.391   23.197 -1.838264 33.15415 
1 1 1    1    9   62 o   82.475   12.333   21.731   5.3705   14.811   8.2379   26.845   7.0825   68.265   20.606   96.684   13.556 -28.41898 24.66509 
1 1 1    1    9   63 o  219.409   6.1642  134.070   7.2877  124.782   10.416  142.977   10.200  211.671   9.1067  227.147   8.3101 -15.47585 12.32838 
1 1 1    1    9   64 o   45.403   12.798   1.3717   5.5895  -9.0339   8.2156   10.339   7.6268   33.289   15.951   57.517   20.018 -24.22787 25.59607 
1 1 1    1    9   65 f   99.929   15.133   29.494   8.1718   0.0000   0.0000   29.494   8.1718  ?   ?    99.929   15.133      ?      ? 
1 1 1    1    9   66 o  129.918   9.1840   50.778   6.3854   45.813   9.3213   55.168   8.7650  122.840   14.043  136.997   11.840 -14.15697 18.36796 
1 1 1    1    9   67 o   86.474   13.152   25.069   5.9465   22.114   8.8535   27.497   8.0265   79.965   20.418   92.982   16.583 -13.01739 26.30391 
1 1 1    1    9   68 o  113.075   10.424   39.806   6.2767   48.991   9.2421   31.944   8.5513  126.334   13.538   99.817   15.854 26.51658 20.84800 
1 1 1    1   10    0 o  646.043   9.4158  1112.01   28.015  1161.49   57.972  1096.93   31.999  655.086   16.377  636.999   9.2962 18.08746 18.83153 
1 1 1    1   10    1 o  240.349   6.0306  156.116   7.8323   0.0000   0.0000  156.116   7.8323  ?   ?   240.349   6.0306      ?      ? 
1 1 1    1   10    2 o  1110.56   15.465  3335.66   80.157  3358.11  161.137  3328.28   92.401  1112.12   26.813  1108.99   15.419 3.131958 30.93079 
1 1 1    1   10    3 o  583.162   9.1346  912.613   26.915  940.541   47.721  899.585   32.594  589.531   14.980  576.793   10.457 12.73816 18.26922 
1 1 1    1   10    4 o  1210.16   14.544  3969.97   95.107  3965.39  134.455  3974.56  134.548  1209.46   20.573  1210.86   20.563 -1.399780 29.08780 
1 1 1    1   10    5 o  841.414   14.607  1916.36   66.412  1916.36   66.412   0.0000   0.0000  841.414   14.607  ?   ?       ?      ? 
1 1 1    1   10    8 o  248.833   4.5880  167.283   6.1669  170.447   8.8637  164.314   8.5856  251.111   6.5322  246.555   6.4442 4.556839 9.175924 
1 1 1    1   10   11 o  419.138   5.8355  475.022   13.217  472.207   18.690  477.838   18.692  417.895   8.2767  420.381   8.2285 -2.486023 11.67102 
1 1 1    1   10   13 o  647.002   8.1508  1132.41   28.489  1114.83   39.728  1151.02   40.875  641.841   11.455  652.162   11.599 -10.32172 16.30161 
1 1 1    1   10   14 o   91.474   13.251   22.658   6.5497   22.658   6.5497   0.0000   0.0000   91.474   13.251  ?   ?       ?      ? 
1 1 1    1   10   15 o  111.346   7.8752   33.624   4.7210   32.613   6.9197   34.505   6.4571  109.767   11.666  112.924   10.582 -3.156967 15.75045 
1 1 1    1   10   16 o  528.836   9.7043  756.843   27.714  736.261   38.376  779.279   40.067  521.339   13.622  536.332   13.825 -14.99316 19.40850 
1 1 1    1   10   17 o  232.422   6.2912  146.188   7.8873  145.023   11.478  147.230   10.856  231.536   9.1742  233.309   8.6112 -1.772552 12.58248 
1 1 1    1   10   18 o  501.431   6.6621  679.367   18.036  661.068   24.898  699.575   26.164  494.341   9.3205  508.521   9.5216 -14.18036 13.32417 
1 1 1    1   10   19 o  545.024   7.0809  803.556   20.852  795.339   29.277  812.016   29.708  542.198   9.9925  547.849   10.035 -5.651855 14.16171 
1 1 1    1   10   20 o  671.211   8.4264  1219.25   30.557  1232.24   43.702  1206.82   42.742  674.702   11.987  667.720   11.846 6.981201 16.85275 
1 1 1    1   10   22 o  275.743   4.8234  204.898   7.1727  215.477   10.558  195.830   9.7745  282.331   6.9206  269.156   6.7205 13.17465 9.646737 
1 1 1    1   10   23 o  976.081   11.850  2580.12   62.473  2534.56   86.820  2629.04   89.964  967.175   16.612  984.987   16.903 -17.81183 23.69936 
1 1 1    1   10   24 o  104.898   6.4206   29.525   3.6227   33.751   5.3753   26.008   4.9036  111.724   8.9037   98.072   9.2531 13.65239 12.84117 
1 1 1    1   10   25 o  949.182   14.225  2434.74   68.383  2419.66   83.165  2466.22  120.156  945.240   16.282  953.124   23.330 -7.883728 28.44950 
1 1 1    1   10   26 o  938.920   16.262  2391.87   82.505  2385.14  116.469  2398.65  116.892  937.596   22.988  940.245   23.007 -2.649170 32.52354 
1 1 1    1   10   27 o  540.958   10.208  789.709   29.785  756.757   40.646  827.928   43.774  528.817   14.224  553.099   14.646 -24.28198 20.41638 
1 1 1    1   10   28 o  347.447   8.0292  325.149   15.037  345.946   22.247  307.658   20.403  357.628   11.512  337.267   11.195 20.36047 16.05834 
1 1 1    1   10   29 f  123.163   6.4004   40.823   4.2195   42.360   6.4762   39.689   5.5620  125.162   9.5755  121.163   8.4952 3.999214 12.80073 
1 1 1    1   10   30 o  246.485   5.0327  164.282   6.6946  163.021   9.6959  165.430   9.2546  245.578   7.3065  247.392   6.9229 -1.814087 10.06537 
1 1 1    1   10   31 o  426.218   6.0815  491.175   14.005  490.163   19.946  492.159   19.668  425.783   8.6694  426.654   8.5311 -0.8710938 12.16293 
1 1 1    1   10   32 o  372.464   5.7285  375.112   11.529  371.404   16.346  378.783   16.263  370.630   8.1616  374.297   8.0405 -3.667419 11.45694 
1 1 1    1   10   33 o  125.117   10.093   38.034   6.1264   33.257   7.0564   52.658   12.347  110.854   11.780  139.380   16.393 -28.52573 20.18659 
1 1 1    1   10   34 o  660.740   10.531  1158.21   34.442  1123.45   40.865  1243.47   63.995  644.305   11.737  677.174   17.489 -32.86871 21.06236 
1 1 1    1   10   35 o  784.717   12.043  1675.66   48.250  1652.03   82.876  1687.78   59.344  780.037   19.662  789.397   13.912 -9.359741 24.08596 
1 1 1    1   10   36 o  134.382   8.3916   49.715   5.9759   39.410   8.5908   59.376   8.3182  120.630   13.179  148.134   10.392 -27.50454 16.78326 
1 1 1    1   10   37 o  708.307   8.9858  1358.56   34.391  1348.28   48.351  1369.08   48.926  705.599   12.681  711.015   12.734 -5.415833 17.97157 
1 1 1    1   10   38 o  388.332   6.0499  407.374   12.686  389.913   17.559  426.441   18.348  379.639   8.5592  397.025   8.5525 -17.38531 12.09983 
1 1 1    1   10   39 o   87.610   11.834   21.243   5.4476   27.353   7.9413   15.812   7.4869  100.420   14.635   74.801   18.601 25.61882 23.66807 
1 1 1    1   10   40 o  637.136   8.2288  1100.25   28.330  1102.35   40.256  1098.19   39.874  637.731   11.682  636.541   11.593 1.189697 16.45758 
1 1 1    1   10   41 o  334.704   5.7633  303.178   10.423  298.652   14.658  307.808   14.825  332.176   8.1659  337.231   8.1352 -5.055573 11.52665 
1 1 1    1   10   42 o  426.243   6.3076  491.997   14.526  493.608   20.732  490.444   20.359  426.921   8.9870  425.565   8.8531 1.355957 12.61524 
1 1 1    1   10   43 o  121.464   8.3312   39.859   5.4538   43.899   8.0250   36.392   7.4346  127.160   11.679  115.769   11.884 11.39137 16.66248 
1 1 1    1   10   44 o  301.453   5.6262  246.103   9.1576  247.944   13.240  244.415   12.680  302.519   8.0990  300.387   7.8118 2.131805 11.25249 
1 1 1    1   10   45 o  328.990   5.7615  293.186   10.238  298.767   14.748  287.994   14.224  332.001   8.2204  325.979   8.0749 6.022552 11.52302 
1 1 1    1   10   46 o   63.114   13.777   11.003   5.1683   10.782   7.4547   11.208   7.1717   62.743   19.724   63.485   19.240 -0.7417946 27.55408 
1 1 1    1   10   47 o  266.036   5.6845  191.762   8.1626  197.064   11.885  187.029   11.230  269.495   8.1614  262.577   7.9149 6.918335 11.36895 
1 1 1    1   10   48 o  432.772   7.5984  514.577   17.042  494.144   28.141  526.411   21.416  425.406   12.242  440.138   9.0046 -14.73260 15.19680 
1 1 1    1   10   49 o  321.850   7.6469  282.059   13.272  292.117   19.527  273.423   18.093  327.101   11.048  316.600   10.576 10.50174 15.29375 
1 1 1    1   10   50 o   45.265   13.695  -1.2828   6.0380   4.0698   9.3129  -5.1644   7.9306   52.842   21.264   37.688   17.263 15.15372 27.38950 
1 1 1    1   10   51 o  130.662   8.8160   46.504   6.1975   42.749   8.3080   51.216   9.3059  124.788   12.321  136.536   12.613 -11.74850 17.63202 
1 1 1    1   10   52 o  184.252   6.0996   92.686   6.0648   90.451   8.7418   94.760   8.4210  182.056   8.8860  186.449   8.3583 -4.392639 12.19928 
1 1 1    1   10   53 o  150.124   6.9116   61.849   5.5907   56.840   7.9391   66.776   7.8743  143.993   10.203  156.256   9.3258 -12.26357 13.82310 
1 1 1    1   10   54 o   73.884   12.621   16.237   4.9721   14.448   7.5433   17.612   6.6117   69.955   19.318   77.814   16.249 -7.858932 25.24299 
1 1 1    1   10   55 o  176.856   6.3196   85.621   6.0092   87.010   8.9887   84.499   8.0804  178.032   9.3435  175.680   8.5118 2.351364 12.63929 
1 1 1    1   10   56 o   48.143   13.293   4.4031   5.0075   6.3461   7.4788   2.8241   6.7418   52.041   19.576   44.246   17.990 7.795197 26.58681 
1 1 1    1   10   57 o  118.636   8.5461   39.707   5.4101   35.033   7.9655   43.710   7.3712  111.721   13.194  125.550   10.865 -13.82931 17.09217 
1 1 1    1   10   58 o  221.033   5.9385  133.775   7.0785  142.750   10.421  126.087   9.6452  227.861   8.4634  214.206   8.3328 13.65518 11.87705 
1 1 1    1   10   59 o   95.602   16.279   28.818   8.3282   34.932   12.440   23.851   11.212  105.118   22.574   86.086   23.461 19.03166 32.55752 
1 1 1    1   10   60 o   55.355   15.608   1.6633   8.2990 -13.4077   11.966   15.633   11.520   40.078   19.217   70.632   24.601 -30.55425 31.21684 
1 1 1    1   10   61 o   49.488   14.851   1.3256   6.1986   8.5608   12.038  -1.2851   7.2310   60.207   24.194   38.769   17.227 21.43816 29.70102 
1 1 1    1   10   62 o  160.555   7.2132   71.167   6.2062   85.153   9.3817   60.285   8.2757  174.521   9.9483  146.589   10.448 27.93164 14.42630 
1 1 1    1   10   63 o  200.390   6.5853  112.937   7.0808  109.068   10.542  116.118   9.5580  196.768   9.9143  204.012   8.6701 -7.243942 13.17057 
1 1 1    1   10   64 f   30.201   10.443 -12.9209   5.6491 -13.8194   8.3514 -12.1630   7.6701   30.611   14.991   29.792   14.542 0.8188610 20.88531 
1 1 1    1   10   65 o   44.486   13.284   1.6420   5.8605  -4.9596   8.8307   6.8381   7.8344   38.037   17.701   50.934   19.812 -12.89616 26.56786 
1 1 1    1   10   66 o  130.028   9.1852   50.548   6.4064   52.302   9.7120   49.197   8.5239  131.302   13.688  128.754   12.251 2.547913 18.37031 
1 1 1    1   10   67 o  234.556   6.5217  155.303   8.2097  170.839   12.533  143.627   10.865  244.359   9.4917  224.753   8.9463 19.60558 13.04334 
1 1 1    1   11    0 o  115.022   6.9016   35.764   4.2896   0.0000   0.0000   35.764   4.2896  ?   ?   115.022   6.9016      ?      ? 
1 1 1    1   11    1 o  476.562   9.2287  614.176   23.765   0.0000   0.0000  614.176   23.765  ?   ?   476.562   9.2287      ?      ? 
1 1 1    1   11    2 o  183.952   4.8964   91.449   4.8671   0.0000   0.0000   91.449   4.8671  ?   ?   183.952   4.8964      ?      ? 
1 1 1    1   11    3 o  617.406   9.0050  1037.15   26.260  1020.49   51.561  1042.98   30.514  613.776   15.546  621.035   9.0928 -7.258606 18.01009 
1 1 1    1   11    6 f  454.382   6.2371  557.903   15.305  569.562   22.111  547.179   21.206  458.932   8.9160  449.832   8.7242 9.099792 12.47422 
1 1 1    1   11    9 o  252.974   4.7743  173.027   6.5251  171.482   9.2971  174.526   9.1602  251.860   6.8313  254.089   6.6716 -2.228790 9.548644 
1 1 1    1   11   10 o  413.535   11.838  462.838   26.454  462.838   26.454   0.0000   0.0000  413.535   11.838  ?   ?       ?      ? 
1 1 1    1   11   11 o  484.608   9.1907  635.323   24.047  648.423   34.856  623.423   33.219  489.356   13.181  479.859   12.811 9.497192 18.38131 
1 1 1    1   11   12 o  157.763   7.4074   67.782   6.2496   63.896   9.3843   70.878   8.3776  153.655   11.302  161.871   9.5778 -8.215347 14.81473 
1 1 1    1   11   13 o  902.570   15.625  2210.80   76.069  2292.79  111.695  2139.86  103.885  918.030   22.516  887.109   21.672 30.92010 31.25088 
1 1 1    1   11   14 o  626.342   11.252  1063.68   38.080  1051.35   53.495  1076.35   54.218  622.664   15.899  630.020   15.926 -7.355774 22.50363 
1 1 1    1   11   15 o  772.154   13.520  1615.24   56.413   0.0000   0.0000  1615.24   56.413  ?   ?   772.154   13.520      ?      ? 
1 1 1    1   11   16 o  758.119   9.3980  1556.71   38.500  1552.40   54.388  1561.04   54.506  757.065   13.295  759.172   13.287 -2.106934 18.79594 
1 1 1    1   11   17 o  363.957   7.6151  358.174   14.977   0.0000   0.0000  358.174   14.977  ?   ?   363.957   7.6151      ?      ? 
1 1 1    1   11   19 o  208.186   4.7854  117.156   5.3745  117.371   7.8320  116.965   7.3888  208.363   6.9561  208.009   6.5736 0.3540497 9.570757 
1 1 1    1   11   20 o  591.817   10.736  947.523   34.335   0.0000   0.0000  947.523   34.335  ?   ?   591.817   10.736      ?      ? 
1 1 1    1   11   21 o  1322.01   15.865  4746.70  113.331  4761.83  160.785  4731.75  159.768  1324.09   22.472  1319.92   22.400 4.167725 31.72948 
1 1 1    1   11   22 o  976.370   14.651  2568.45   72.041  2536.76   87.039  2637.39  128.372  967.621   16.646  985.119   24.115 -17.49805 29.30281 
1 1 1    1   11   23 o  572.815   10.643  888.271   32.940  880.631   46.198  896.171   46.979  570.315   14.991  575.315   15.112 -5.000488 21.28575 
1 1 1    1   11   24 o  472.483   9.2734  603.834   23.670  595.946   33.030  612.162   33.938  469.316   13.024  475.649   13.204 -6.332916 18.54681 
1 1 1    1   11   25 o  819.288   14.379  1816.37   63.574  1764.19   87.243  1875.45   92.832  806.804   20.011  831.772   20.654 -24.96790 28.75823 
1 1 1    1   11   26 o  658.185   11.906  1172.60   42.333  1153.60   58.975  1192.79   60.802  652.698   16.721  663.671   16.954 -10.97296 23.81264 
1 1 1    1   11   27 o  632.627   8.0898  1080.93   27.618  1112.01   40.324  1053.46   37.903  641.169   11.639  624.085   11.239 17.08356 16.17962 
1 1 1    1   11   28 o  934.496   11.401  2363.85   57.553  2326.27   80.207  2403.75   82.631  926.856   16.014  942.136   16.231 -15.27997 22.80136 
1 1 1    1   11   29 o  814.652   10.057  1796.31   44.272  1798.20   62.874  1794.45   62.350  815.073   14.275  814.232   14.171 0.8405151 20.11471 
1 1 1    1   11   30 o  1199.20   14.454  3896.95   93.590  3806.14  129.266  3997.00  135.680  1184.59   20.194  1213.81   20.686 -29.22070 28.90891 
1 1 1    1   11   31 o  743.727   9.3128  1495.93   37.404  1460.91   51.798  1534.09   54.068  734.652   13.048  752.802   13.291 -18.15021 18.62561 
1 1 1    1   11   32 o  391.480   12.550  414.865   26.548   0.0000   0.0000  414.865   26.548  ?   ?   391.480   12.550      ?      ? 
1 1 1    1   11   33 o  620.790   10.029  1035.26   31.237  1021.26   37.604  1066.44   56.110  614.339   11.327  627.241   16.554 -12.90137 20.05898 
1 1 1    1   11   34 o  630.891   10.070  1087.74   32.590  1047.30   55.101  1109.49   40.417  621.526   16.406  640.257   11.682 -18.73187 20.14066 
1 1 1    1   11   35 o  383.812   7.6403  398.737   14.678  398.423   26.284  398.880   17.694  383.586   12.681  384.039   8.5264 -0.4522095 15.28056 
1 1 1    1   11   36 o  426.999   6.3778  493.178   14.715  495.225   20.913  491.171   20.710  427.875   9.0450  426.123   8.9942 1.751892 12.75566 
1 1 1    1   11   37 o  233.975   5.9040  147.974   7.4529  136.776   10.387  159.859   10.701  224.851   8.5485  243.099   8.1459 -18.24849 11.80810 
1 1 1    1   11   38 o  320.286   5.8230  277.378   10.073  281.474   14.510  273.567   13.996  322.563   8.3244  318.009   8.1445 4.554169 11.64594 
1 1 1    1   11   39 o  505.609   7.0086  691.515   19.138  670.148   26.527  714.708   27.637  497.478   9.8678  513.741   9.9554 -16.26324 14.01728 
1 1 1    1   11   40 o  358.195   5.9065  347.171   11.428  351.468   16.434  343.148   15.902  360.333   8.4400  356.056   8.2650 4.276978 11.81291 
1 1 1    1   11   41 o  555.423   7.4389  835.484   22.316  813.484   30.996  859.159   32.156  547.846   10.470  562.999   10.570 -15.15295 14.87783 
1 1 1    1   11   42 o  357.969   5.8924  346.540   11.389  330.362   15.780  364.130   16.455  349.258   8.3614  366.679   8.3048 -17.42148 11.78489 
1 1 1    1   11   43 o  606.353   7.9554  998.532   26.066  994.816   36.899  1002.23   36.826  605.218   11.283  607.488   11.218 -2.270142 15.91083 
1 1 1    1   11   44 o  442.526   6.4391  531.110   15.394  532.192   22.007  530.073   21.542  442.951   9.1944  442.101   9.0172 0.8495789 12.87814 
1 1 1    1   11   45 o  243.086   5.7176  160.286   7.5054  153.419   10.601  167.186   10.627  237.846   8.2486  248.325   7.9198 -10.47900 11.43511 
1 1 1    1   11   46 o  404.379   6.1837  443.635   13.500  451.666   19.579  436.357   18.640  407.833   8.8841  400.925   8.6037 6.908478 12.36734 
1 1 1    1   11   47 o  340.849   6.9859  319.466   12.360  302.928   20.266  329.262   15.597  333.414   11.248  348.283   8.2877 -14.86841 13.97188 
1 1 1    1   11   48 o  137.492   9.4908   52.147   7.0059   47.635   10.189   56.194   9.6488  131.678   14.320  143.307   12.460 -11.62897 18.98160 
1 1 1    1   11   49 o  151.457   8.7583   62.480   7.1361   66.959   10.724   58.919   9.5603  156.243   12.701  146.670   12.063 9.573120 17.51665 
1 1 1    1   11   50 o  103.660   10.688   30.070   5.7674   24.102   7.9531   36.689   8.3760   91.851   16.636  115.470   13.424 -23.61918 21.37679 
1 1 1    1   11   51 o  147.644   7.9413   60.170   6.2916   64.430   8.6204   55.315   9.2034  153.429   10.398  141.860   12.006 11.56944 15.88263 
1 1 1    1   11   52 o   65.872   13.629   12.534   5.1384   13.294   7.6905   11.921   6.9062   67.580   19.791   64.165   18.744 3.414505 27.25835 
1 1 1    1   11   53 o  122.683   8.0084   41.335   5.2880   42.698   7.8864   40.222   7.1279  124.431   11.729  120.935   10.907 3.495865 16.01687 
1 1 1    1   11   54 o  325.526   5.8213  289.751   10.236  279.993   14.423  299.655   14.530  319.952   8.3422  331.100   8.1214 -11.14871 11.64261 
1 1 1    1   11   55 o   54.285   13.376   7.5146   5.1419   2.3077   7.8008   11.515   6.8375   45.964   19.087   62.606   18.745 -16.64253 26.75203 
1 1 1    1   11   56 o  139.236   7.5662   53.461   5.6797   58.315   8.3463   49.275   7.7512  145.114   10.644  133.358   10.756 11.75581 15.13241 
1 1 1    1   11   57 o  211.430   6.0226  122.516   6.8601  126.662   10.167  119.050   9.2947  214.601   8.7677  208.260   8.2593 6.341171 12.04524 
1 1 1    1   11   58 o  164.482   9.2530   77.984   7.6089   81.014   9.2878   71.802   13.268  170.897   10.058  158.067   15.534 12.82959 18.50591 
1 1 1    1   11   59 o   65.077   16.265   9.7898   8.3769  -3.7477   12.033   22.520   11.669   47.278   21.505   82.876   24.409 -35.59755 32.53074 
1 1 1    1   11   60 o   64.265   17.071   10.359   8.5996   1.9723   12.261   18.480   12.065   53.039   23.031   75.492   25.203 -22.45284 34.14101 
1 1 1    1   11   61 o  167.605   7.4121   79.271   6.6351   75.088   10.008   82.551   8.8630  163.102   11.355  172.108   9.5300 -9.005310 14.82430 
1 1 1    1   11   62 o   61.307   14.405   11.609   5.5615   13.573   8.3502   10.043   7.4559   65.082   20.922   57.532   19.805 7.549717 28.80933 
1 1 1    1   11   63 f  218.922   6.5422  134.740   7.7154  126.001   11.077  142.975   10.753  211.626   9.6864  226.218   8.7964 -14.59204 13.08445 
1 1 1    1   11   64 f  145.713   12.847   61.231   10.116   61.231   10.116   0.0000   0.0000  145.713   12.847  ?   ?       ?      ? 
1 1 1    1   11   65 o  174.830   7.5109   89.222   7.0305   79.235   10.187   98.303   9.7146  164.441   11.465  185.218   9.7063 -20.77647 15.02173 
1 1 1    1   11   66 o  157.395   8.1172   73.018   6.7825   61.668   9.9286   82.950   9.2874  144.498   12.716  170.292   10.093 -25.79404 16.23433 
1 1 1    1   11   67 o   43.294   13.280   2.7732   5.9453  -1.9942   9.2878   6.0828   7.7386   39.663   18.352   46.924   19.199 -7.261177 26.55902 
1 1 1    1   12    0 o  1076.83   18.385  3145.53  106.981   0.0000   0.0000  3145.53  106.981  ?   ?   1076.83   18.385      ?      ? 
1 1 1    1   12    1 o  643.681   8.1839  1120.33   28.466   0.0000   0.0000  1120.33   28.466  ?   ?   643.681   8.1839      ?      ? 
1 1 1    1   12    2 o  565.405   10.289  864.825   31.436   0.0000   0.0000  864.825   31.436  ?   ?   565.405   10.289      ?      ? 
1 1 1    1   12    3 o  487.322   7.9041  647.979   19.861  624.324   33.221  661.138   24.777  480.228   12.802  494.415   9.2741 -14.18750 15.80812 
1 1 1    1   12    4 o  332.350   10.985  298.874   19.728  298.874   19.728   0.0000   0.0000  332.350   10.985  ?   ?       ?      ? 
1 1 1    1   12    5 o  629.819   16.243  1075.22   55.281  1075.22   55.281   0.0000   0.0000  629.819   16.243  ?   ?       ?      ? 
1 1 1    1   12    6 o  426.418   8.6356  492.116   19.897  484.234   27.940  500.225   28.340  422.954   12.225  429.883   12.200 -6.928528 17.27112 
1 1 1    1   12    7 o  334.341   7.6564  302.365   13.824  305.405   19.937  299.549   19.186  335.952   10.983  332.729   10.671 3.222107 15.31283 
1 1 1    1   12    8 o  175.395   7.8208   83.033   7.3999   86.892   10.856   79.685   10.113  179.187   11.212  171.602   10.906 7.584579 15.64163 
1 1 1    1   12    9 o  865.682   15.080  2036.58   70.527  2060.36  101.017  2013.96   98.510  870.575   21.473  860.789   21.178 9.785828 30.16015 
1 1 1    1   12   10 o  313.400   7.4156  265.122   12.535  276.126   18.420  255.631   17.107  319.434   10.671  307.367   10.300 12.06693 14.83117 
1 1 1    1   12   11 o  342.058   6.5053  316.819   11.412  317.488   14.082  315.540   19.478  342.651   7.6054  341.466   10.556 1.185272 13.01052 
1 1 1    1   12   14 o  507.753   6.7764  697.299   18.589  703.989   26.602  690.916   25.986  510.128   9.6503  505.378   9.5158 4.749969 13.55278 
1 1 1    1   12   15 o  979.592   11.935  2602.42   63.177  2599.75   89.342  2605.08   89.348  979.089   16.887  980.096   16.871 -1.006836 23.87004 
1 1 1    1   12   16 o   81.899   8.3963   18.164   3.6996   18.066   5.4865   18.245   5.0101   81.690   12.429   82.108   11.292 -0.4183197 16.79252 
1 1 1    1   12   17 o  218.183   6.7607  128.690   7.9708   0.0000   0.0000  128.690   7.9708  ?   ?   218.183   6.7607      ?      ? 
1 1 1    1   12   18 o  309.787   5.1356  259.126   8.5916  248.003   11.924  271.136   12.390  302.881   7.2857  316.693   7.2400 -13.81238 10.27129 
1 1 1    1   12   19 o  659.595   10.259  1181.37   34.578  1188.35   42.550  1167.79   59.337  662.711   11.882  656.478   16.727 6.232849 20.51763 
1 1 1    1   12   20 o  728.996   12.967  1440.62   51.076  1452.25   72.697  1429.28   71.778  731.896   18.381  726.096   18.294 5.800171 25.93338 
1 1 1    1   12   21 o  717.952   12.791  1396.44   49.609  1419.14   71.181  1375.00   69.177  723.609   18.204  712.294   17.973 11.31525 25.58150 
1 1 1    1   12   22 o  990.755   17.108  2665.28   91.588  2684.69  130.413  2646.40  128.655  994.296   24.273  987.213   24.117 7.083801 34.21700 
1 1 1    1   12   23 o  329.446   7.7356  293.141   13.758  285.135   18.969  302.027   19.985  324.710   10.811  334.182   11.067 -9.472443 15.47120 
1 1 1    1   12   24 o  373.338   7.0211  383.051   13.406  357.207   22.610  397.063   16.649  363.418   11.513  383.258   8.0389 -19.83997 14.04223 
1 1 1    1   12   25 o  650.533   8.2850  1144.70   29.124  1139.22   41.103  1150.22   41.272  648.970   11.721  652.097   11.713 -3.127502 16.57003 
1 1 1    1   12   26 o  246.817   7.1469  164.665   9.5320   0.0000   0.0000  164.665   9.5320  ?   ?   246.817   7.1469      ?      ? 
1 1 1    1   12   27 o  1254.78   15.092  4269.42  102.297  4208.39  142.593  4334.13  146.841  1245.58   21.185  1263.97   21.499 -18.39600 30.18346 
1 1 1    1   12   28 o  715.037   8.9880  1382.86   34.719  1360.16   48.434  1406.85   49.794  709.008   12.642  721.066   12.780 -12.05713 17.97593 
1 1 1    1   12   30 o  485.893   6.7233  638.439   17.651  628.686   24.796  648.458   25.133  482.131   9.5177  489.655   9.4986 -7.523956 13.44658 
1 1 1    1   12   31 o  1270.03   15.327  4381.54  105.161  4324.70  146.755  4441.53  150.768  1261.61   21.527  1278.44   21.824 -16.82751 30.65457 
1 1 1    1   12   32 o  252.039   12.716  171.959   17.318   0.0000   0.0000  171.959   17.318  ?   ?   252.039   12.716      ?      ? 
1 1 1    1   12   33 o  877.649   13.357  2092.35   59.559  2086.49  103.597  2095.25   72.792  876.031   21.885  879.268   15.321 -3.237244 26.71436 
1 1 1    1   12   34 o  1008.37   15.164  2765.67   77.716  2761.26  135.089  2767.84   95.014  1006.69   24.833  1010.04   17.408 -3.357300 30.32739 
1 1 1    1   12   35 o  614.856   8.0867  1023.38   26.867  1023.77   38.175  1022.99   37.818  614.968   11.488  614.744   11.384 0.2246094 16.17334 
1 1 1    1   12   36 o  453.209   6.5942  555.684   16.147  547.608   22.613  564.086   23.064  449.852   9.3026  456.566   9.3486 -6.714722 13.18841 
1 1 1    1   12   37 o  668.246   8.6063  1209.24   31.068  1187.18   43.308  1232.64   44.595  661.979   12.107  674.513   12.235 -12.53461 17.21264 
1 1 1    1   12   38 o  520.237   7.1451  732.648   20.082  716.485   28.060  749.620   28.753  514.358   10.096  526.115   10.114 -11.75714 14.29029 
1 1 1    1   12   39 o  414.540   6.2761  464.705   14.050  448.478   19.465  482.354   20.301  406.997   8.8509  422.084   8.9007 -15.08691 12.55227 
1 1 1    1   12   40 o  883.818   10.945  2124.97   52.269  2110.66   73.614  2139.51   74.228  880.823   15.466  886.813   15.490 -5.990356 21.88919 
1 1 1    1   12   41 o  556.921   7.4778  841.039   22.502  827.748   31.592  854.725   32.058  552.455   10.582  561.388   10.568 -8.933228 14.95554 
1 1 1    1   12   42 f  128.568   8.1791   44.708   5.6384   46.420   8.5890   43.412   7.4745  130.684   12.163  126.451   10.939 4.232834 16.35820 
1 1 1    1   12   43 o  424.161   6.3277  487.721   14.493  491.945   20.928  483.828   20.090  425.900   9.0935  422.422   8.8015 3.477692 12.65537 
1 1 1    1   12   44 o  191.186   6.3265   99.351   6.5140   96.937   9.5462  101.454   8.9109  188.971   9.3486  193.400   8.5266 -4.429108 12.65306 
1 1 1    1   12   45 o   92.202   11.050   23.933   5.2989   22.006   7.9925   25.443   7.0780   87.929   17.437   96.476   13.577 -8.546822 22.09965 
1 1 1    1   12   46 o  204.089   7.8435  112.660   8.5147  117.883   13.399  109.122   11.028  207.899   11.927  200.278   10.190 7.621353 15.68710 
1 1 1    1   12   47 o  192.553   8.1867  102.360   8.4039   92.703   12.584  110.135   11.291  184.067   12.652  201.039   10.393 -16.97192 16.37335 
1 1 1    1   12   48 o  167.081   8.8412   74.340   7.8622   90.338   12.494   63.851   10.117  181.493   12.739  152.668   12.263 28.82562 17.68245 
1 1 1    1   12   49 f  399.925   6.2442  435.449   13.485  437.381   19.450  433.661   18.712  400.725   8.9824  399.125   8.6761 1.600342 12.48830 
1 1 1    1   12   50 o  135.129   9.6616   52.481   6.3733   45.225   11.399   55.780   7.6870  127.385   16.560  142.872   9.9568 -15.48705 19.32320 
1 1 1    1   12   51 o   68.217   13.255   13.509   5.7670   21.892   7.7389   3.0405   8.6483   86.954   17.080   49.480   20.276 37.47387 26.51095 
1 1 1    1   12   52 o  136.436   9.0616   52.949   6.4820   62.626   8.7870   41.396   9.6007  150.971   10.771  121.900   14.575 29.07053 18.12316 
1 1 1    1   12   53 o  125.536   8.2143   42.824   5.5185   48.995   8.5611   38.438   7.2184  133.073   11.906  118.000   11.321 15.07264 16.42861 
1 1 1    1   12   54 o  175.190   6.6222   84.451   6.2468   82.084   9.1504   86.518   8.5488  172.750   9.8025  177.629   8.9064 -4.879074 13.24432 
1 1 1    1   12   55 o   61.052   13.917   10.265   5.3141   14.757   8.0663   6.8194   7.0638   69.904   20.211   52.200   19.138 17.70420 27.83379 
1 1 1    1   12   56 o  253.631   5.8574  176.592   8.0071  175.313   11.726  177.710   10.960  252.623   8.5901  254.638   7.9652 -2.015152 11.71471 
1 1 1    1   12   57 o   99.658   11.185   29.119   5.5889   42.584   8.2441   17.668   7.6025  123.152   12.388   76.163   18.627 46.98959 22.37044 
1 1 1    1   12   58 o  178.886   10.577   91.398   10.188  102.590   15.005   81.824   13.878  189.187   14.677  168.585   15.234 20.60214 21.15432 
1 1 1    1   12   59 o   87.052   17.239   25.020   8.6152   30.721   12.117   19.191   12.252   97.408   23.328   76.695   25.388 20.71339 34.47841 
1 1 1    1   12   60 o   69.267   15.439   10.142   6.5136   28.919   12.420   3.0185   7.6500   92.974   24.411   45.559   18.909 47.41455 30.87761 
1 1 1    1   12   61 o  170.152   7.2964   80.779   6.6520   84.303   10.168   78.143   8.7951  173.035   10.875  167.268   9.7305 5.766312 14.59275 
1 1 1    1   12   62 o  205.908   6.6945  117.668   7.4022  135.018   11.216  104.277   9.8529  219.188   9.4693  192.629   9.4657 26.55888 13.38907 
1 1 1    1   12   63 o   25.447   12.881 -27.9891   8.7834 -27.9891   8.7834   0.0000   0.0000   25.447   12.881  ?   ?       ?      ? 
1 1 1    1   12   64 o   65.396   15.241   14.651   6.2757   13.220   9.3056   15.845   8.4994   62.648   22.091   68.145   21.002 -5.496983 30.48119 
1 1 1    1   12   65 o   38.636   12.591  -4.1219   6.1164   2.0934   9.3007  -8.8581   8.1190   44.843   19.751   32.429   15.621 12.41384 25.18145 
1 1 1    1   12   66 o   62.818   13.739   13.651   6.1544   2.5480   9.1108   22.970   8.3467   44.416   19.556   81.221   19.302 -36.80456 27.47758 
1 1 1    1   13    1 o  696.834   17.452  1317.34   65.715   0.0000   0.0000  1317.34   65.715  ?   ?   696.834   17.452      ?      ? 
1 1 1    1   13    2 o  228.008   9.4236  140.631   11.611   0.0000   0.0000  140.631   11.611  ?   ?   228.008   9.4236      ?      ? 
1 1 1    1   13    3 o  994.518   17.183  2683.12   92.342   0.0000   0.0000  2683.12   92.342  ?   ?   994.518   17.183      ?      ? 
1 1 1    1   13    4 o  700.258   12.490  1327.75   47.260   0.0000   0.0000  1327.75   47.260  ?   ?   700.258   12.490      ?      ? 
1 1 1    1   13    5 o  1076.08   15.910  3187.75   89.096  3296.13  112.922  3009.01  145.017  1101.70   18.968  1050.45   25.548 51.25269 31.81964 
1 1 1    1   13    6 o  862.644   21.324  2023.87   99.401   0.0000   0.0000  2023.87   99.401  ?   ?   862.644   21.324      ?      ? 
1 1 1    1   13    9 o  390.021   5.7669  410.922   12.145  423.541   17.584  399.409   16.796  395.737   8.2226  384.304   8.0879 11.43335 11.53372 
1 1 1    1   13   10 o  1014.79   12.347  2793.06   67.687  2752.70   94.365  2835.82   97.143  1007.27   17.337  1022.31   17.585 -15.03424 24.69428 
1 1 1    1   13   11 o  122.193   6.5667   40.457   4.3271   39.027   6.2518   41.773   5.9952  120.110   9.6324  124.275   8.9275 -4.164558 13.13336 
1 1 1    1   13   12 o  176.848   6.3368   84.583   5.8856   84.561   7.4887   84.617   9.5186  176.840   7.8368  176.855   9.9602 -0.1437378E-01 12.67362 
1 1 1    1   13   13 o  542.509   8.7977  790.373   24.119  778.936   29.213  814.865   42.750  536.581   10.075  548.437   14.425 -11.85608 17.59532 
1 1 1    1   13   14 o  421.566   7.3890  478.431   15.898  473.631   19.460  488.063   27.567  418.495   8.6054  424.637   12.014 -6.142120 14.77791 
1 1 1    1   13   15 o  463.676   9.0661  581.963   22.715  585.360   32.215  578.604   32.034  465.022   12.820  462.330   12.822 2.691772 18.13212 
1 1 1    1   13   16 o  343.009   7.6506  316.936   14.147  299.099   19.212  338.063   20.908  332.516   10.692  353.501   10.946 -20.98538 15.30127 
1 1 1    1   13   17 o  762.888   13.480  1576.81   55.527  1540.31   76.749  1616.89   80.434  753.667   18.845  772.109   19.279 -18.44128 26.95951 
1 1 1    1   13   18 o  182.661   7.4566   90.200   7.3578   87.365   10.282   93.176   10.534  179.720   10.587  185.602   10.503 -5.882187 14.91318 
1 1 1    1   13   19 o  445.642   8.9060  537.283   21.444  543.243   30.601  531.531   30.059  448.068   12.639  443.216   12.551 4.851654 17.81198 
1 1 1    1   13   20 o  342.312   7.8216  316.425   14.456  332.658   20.915  301.577   20.004  350.705   11.037  333.918   11.086 16.78693 15.64318 
1 1 1    1   13   21 o  739.996   18.575  1483.56   74.276  1483.56   74.276   0.0000   0.0000  739.996   18.575  ?   ?       ?      ? 
1 1 1    1   13   22 o  779.864   9.6883  1645.21   40.821  1624.44   57.092  1666.94   58.389  774.834   13.636  784.893   13.767 -10.05981 19.37669 
1 1 1    1   13   23 o  167.777   5.6752   75.876   5.1281   78.645   7.6210   73.585   6.9323  170.563   8.2688  164.990   7.7756 5.572815 11.35040 
1 1 1    1   13   24 o   92.770   8.9160   23.057   4.4389   27.245   6.6197   19.635   5.9835  100.353   12.207   85.186   12.999 15.16653 17.83208 
1 1 1    1   13   25 o  426.334   8.6208  491.407   19.860   0.0000   0.0000  491.407   19.860  ?   ?   426.334   8.6208      ?      ? 
1 1 1    1   13   26 o  1164.93   14.069  3679.06   88.557  3648.23  124.268  3710.88  126.231  1159.99   19.825  1169.88   19.968 -9.888550 28.13842 
1 1 1    1   13   27 o  932.341   11.419  2353.05   57.508  2309.18   79.970  2400.04   82.759  923.362   16.028  941.319   16.270 -17.95758 22.83865 
1 1 1    1   13   28 o  633.967   8.1707  1087.40   27.990  1079.27   39.465  1095.63   39.705  631.581   11.564  636.353   11.547 -4.771301 16.34148 
1 1 1    1   13   29 o  357.296   5.8524  345.236   11.297  336.266   15.958  354.245   15.993  352.640   8.3747  361.951   8.1771 -9.311523 11.70471 
1 1 1    1   13   30 o  233.551   8.0949  147.490   10.216   0.0000   0.0000  147.490   10.216  ?   ?   233.551   8.0949      ?      ? 
1 1 1    1   13   31 o  477.038   8.4743  618.927   20.540  624.897   25.155  606.982   35.582  480.650   9.6850  473.425   13.909 7.224792 16.94856 
1 1 1    1   13   32 o  644.394   8.3978  1122.89   29.209  1147.34   42.510  1101.02   40.201  651.012   12.084  637.776   11.665 13.23584 16.79568 
1 1 1    1   13   33 o  866.518   13.209  2043.00   58.328  2024.32  100.688  2052.43   71.558  862.839   21.595  870.198   15.218 -7.358337 26.41853 
1 1 1    1   13   34 o  456.268   6.6931  562.960   16.498  547.486   23.041  579.240   23.633  449.836   9.4787  462.700   9.4523 -12.86340 13.38629 
1 1 1    1   13   35 o  775.313   9.7525  1629.61   40.857  1616.70   57.520  1642.76   58.045  772.214   13.785  778.412   13.800 -6.197510 19.50500 
1 1 1    1   13   36 o  270.706   6.0000  197.332   8.7555  212.630   12.936  184.398   11.894  280.341   8.5393  261.071   8.4309 19.26910 12.00002 
1 1 1    1   13   37 o  223.447   6.2300  135.058   7.5185  137.880   10.843  132.445   10.435  225.690   8.8909  221.204   8.7295 4.485580 12.46003 
1 1 1    1   13   38 o  409.750   6.2724  454.152   13.882  438.101   19.300  471.356   19.981  402.256   8.8789  417.245   8.8622 -14.98944 12.54486 
1 1 1    1   13   39 o  187.251   6.5888   93.796   6.6254  107.607   10.037   83.130   8.8202  199.316   9.3187  175.186   9.3173 24.12982 13.17768 
1 1 1    1   13   40 o  703.201   9.0020  1342.75   34.195  1315.97   47.617  1371.28   49.137  695.984   12.661  710.418   12.800 -14.43347 18.00391 
1 1 1    1   13   41 o  122.914   8.7863   40.713   5.7792   49.527   8.5855   33.411   7.8147  135.010   11.768  110.819   13.050 24.19163 17.57262 
1 1 1    1   13   42 o  525.488   7.1891  749.516   20.408  753.713   29.252  745.535   28.485  526.895   10.274  524.081   10.058 2.813843 14.37820 
1 1 1    1   13   43 o  515.767   7.1207  722.336   19.834  731.388   28.610  713.959   27.521  518.839   10.205  512.695   9.9337 6.144165 14.24137 
1 1 1    1   13   44 o  405.693   7.6143  443.799   15.596  459.685   27.706  436.430   18.870  410.443   12.492  400.942   8.7097 9.501190 15.22863 
1 1 1    1   13   45 o  258.547   7.6849  182.389   10.641  179.099   16.077  184.955   14.196  256.327   11.607  260.768   10.075 -4.440491 15.36973 
1 1 1    1   13   46 o  381.344   8.2864  397.553   17.051  387.613   24.592  406.757   23.662  376.620   12.084  386.068   11.342 -9.447937 16.57281 
1 1 1    1   13   47 o  278.219   5.8445  210.505   8.7784  199.081   12.361  222.131   12.469  270.561   8.4545  285.878   8.0717 -15.31674 11.68893 
1 1 1    1   13   48 o  249.567   5.8577  169.839   7.8784  161.953   11.391  177.070   10.908  243.926   8.6423  255.209   7.9096 -11.28329 11.71540 
1 1 1    1   13   49 o  230.695   5.9613  144.812   7.3788  146.017   11.136  143.868   9.8523  231.444   8.9039  229.946   7.9291 1.498810 11.92267 
1 1 1    1   13   50 o   82.457   14.303   17.971   5.8896   26.441   11.077   14.633   6.9540   94.173   22.141   70.741   18.113 23.43200 28.60603 
1 1 1    1   13   51 o   82.185   14.578   19.251   6.1117   22.514   10.956   17.778   7.3641   86.477   23.033   77.894   17.875 8.582993 29.15522 
1 1 1    1   13   52 o   92.848   12.164   24.835   5.9389   20.534   8.2606   29.437   8.5443   83.300   18.798  102.396   15.442 -19.09651 24.32759 
1 1 1    1   13   53 o  307.798   5.9205  258.914   9.8371  267.681   14.311  251.062   13.544  312.684   8.4697  302.912   8.2748 9.771637 11.84097 
1 1 1    1   13   54 o  175.468   6.9645   85.490   6.5505   77.622   9.5796   92.399   8.9774  167.562   10.580  183.373   9.0600 -15.81075 13.92901 
1 1 1    1   13   55 o  163.363   7.2654   74.017   6.3755   71.672   9.4552   75.972   8.6334  160.753   10.885  165.974   9.6262 -5.220612 14.53080 
1 1 1    1   13   56 o   81.336   12.559   20.499   5.5050   13.349   8.2213   26.311   7.4119   66.386   20.688   96.285   14.246 -29.89920 25.11853 
1 1 1    1   13   57 o   62.433   15.997   11.228   7.0525   13.953   8.5504   5.4302   12.473   67.329   21.117   57.538   24.034 9.791309 31.99360 
1 1 1    1   13   58 o   95.650   16.946   30.218   9.1641   18.766   12.923   41.802   12.997   75.956   26.079  115.344   21.648 -39.38722 33.89290 
1 1 1    1   13   59 o  180.132   11.000   93.862   10.683  102.117   15.707   86.757   14.572  187.513   15.501  172.751   15.611 14.76262 21.99940 
1 1 1    1   13   60 o  167.158   7.5787   77.171   6.7822   89.469   10.490   68.338   8.8901  178.297   10.888  156.019   10.545 22.27786 15.15733 
1 1 1    1   13   61 o   96.541   11.935   28.563   6.0688   27.712   8.8585   29.316   8.3309   93.882   18.118   99.200   15.541 -5.317848 23.87048 
1 1 1    1   13   62 o  102.702   12.452   33.082   6.4358   52.579   9.5067   16.588   8.7442  134.736   13.057   70.669   21.206 64.06730 24.90405 
1 1 1    1   13   63 o  111.420   11.553   37.548   6.6724   46.557   9.7539   29.624   9.1475  125.789   14.350   97.051   18.109 28.73766 23.10522 
1 1 1    1   13   64 o   86.216   14.088   26.034   6.4182   26.977   9.4488   25.226   8.7455   87.187   20.415   85.245   19.419 1.942017 28.17609 
1 1 1    1   13   65 o   92.987   13.311   28.950   6.4660   26.827   9.9727   30.490   8.4932   87.010   21.367   98.964   15.882 -11.95438 26.62281 
1 1 1    1   14    0 o  504.812   9.9348  689.479   27.101   0.0000   0.0000  689.479   27.101  ?   ?   504.812   9.9348      ?      ? 
1 1 1    1   14    4 o  206.981   6.8177  115.813   7.6135  114.459   10.453  117.342   11.112  205.700   9.4038  208.262   9.8738 -2.561478 13.63538 
1 1 1    1   14    5 o  464.640   8.9909  584.573   22.574  584.685   31.834  584.459   32.015  464.687   12.678  464.592   12.752 0.9542847E-01 17.98178 
1 1 1    1   14    6 o  474.241   9.1477  609.008   23.442  609.234   33.193  608.784   33.112  474.328   12.950  474.155   12.923 0.1731873 18.29538 
1 1 1    1   14    7 o  340.870   7.4910  314.226   13.790  309.685   19.125  319.144   19.902  338.312   10.462  343.428   10.725 -5.115509 14.98208 
1 1 1    1   14    8 o  422.998   8.4960  484.345   19.420  483.333   27.434  485.360   27.493  422.556   12.015  423.441   12.016 -0.8850708 16.99204 
1 1 1    1   14    9 o  532.124   9.9323  766.954   28.559  772.523   40.573  761.487   40.206  534.037   14.060  530.211   14.033 3.825745 19.86466 
1 1 1    1   14   10 o  356.561   7.7831  343.950   14.993  340.540   20.961  347.522   21.454  354.755   10.934  358.366   11.079 -3.611053 15.56616 
1 1 1    1   14   11 o  267.547   7.0555  193.351   10.192  186.712   14.072  200.676   14.781  262.726   9.9124  272.369   10.043 -9.643127 14.11090 
1 1 1    1   14   12 o  531.708   9.9880  765.533   28.697  767.568   40.655  763.513   40.512  532.412   14.131  531.005   14.119 1.406860 19.97592 
1 1 1    1   14   13 o  733.697   13.007  1459.46   51.561  1446.62   72.310  1472.75   73.543  730.424   18.320  736.970   18.467 -6.545227 26.01311 
1 1 1    1   14   14 o  279.629   7.4642  211.500   11.278  210.023   15.904  212.995   15.997  278.646   10.562  280.612   10.549 -1.965637 14.92841 
1 1 1    1   14   15 f  466.585   12.946  589.189   32.641  589.189   32.641   0.0000   0.0000  466.585   12.946  ?   ?       ?      ? 
1 1 1    1   14   16 o  478.728   8.0610  628.406   19.962  589.865   32.915  650.831   25.107  466.866   13.047  490.590   9.4708 -23.72308 16.12207 
1 1 1    1   14   17 o  239.867   5.2604  155.624   6.8137  152.207   9.7468  158.890   9.5290  237.288   7.6014  242.447   7.2735 -5.158569 10.52073 
1 1 1    1   14   18 o  780.834   13.756  1649.90   58.041   0.0000   0.0000  1649.90   58.041  ?   ?   780.834   13.756      ?      ? 
1 1 1    1   14   19 o  1086.49   13.198  3198.10   77.487  3185.28  109.475  3210.96  109.691  1084.31   18.684  1088.68   18.646 -4.368408 26.39638 
1 1 1    1   14   20 o  820.095   10.166  1820.00   45.048  1825.88   64.113  1814.28   63.309  821.395   14.445  818.795   14.309 2.600281 20.33205 
1 1 1    1   14   21 o  830.707   10.290  1865.46   46.152  1814.72   63.695  1921.56   66.967  818.843   14.395  842.572   14.708 -23.72894 20.58048 
1 1 1    1   14   23 o  459.793   6.4762  571.578   16.089  562.258   22.664  581.046   22.844  456.013   9.1976  463.573   9.1196 -7.559174 12.95234 
1 1 1    1   14   24 o  698.080   12.465  1318.46   47.019   0.0000   0.0000  1318.46   47.019  ?   ?   698.080   12.465      ?      ? 
1 1 1    1   14   25 o  654.143   8.3895  1156.91   29.645  1130.75   41.256  1184.83   42.625  646.506   11.809  661.780   11.920 -15.27435 16.77909 
1 1 1    1   14   26 o  166.147   6.6084   74.527   5.9096   75.983   8.7939   73.329   7.9800  167.618   9.7089  164.676   8.9678 2.941925 13.21687 
1 1 1    1   14   27 o  742.147   9.3624  1491.11   37.546  1484.32   53.018  1497.94   53.178  740.452   13.251  743.842   13.230 -3.390137 18.72488 
1 1 1    1   14   28 o  253.935   5.8321  174.444   7.9936  172.652   11.550  176.091   11.074  252.678   8.4595  255.193   8.0305 -2.514969 11.66414 
1 1 1    1   14   30 o  359.624   7.6962  341.332   13.784  328.531   16.405  372.072   25.422  348.536   8.7104  370.711   12.691 -22.17493 15.39234 
1 1 1    1   14   31 o  719.918   9.1940  1400.38   35.714  1347.04   48.917  1461.27   52.264  705.292   12.835  734.544   13.167 -29.25232 18.38794 
1 1 1    1   14   32 o  357.903   7.6491  336.686   13.471  370.721   25.432  323.414   15.881  370.001   12.720  345.805   8.4991 24.19604 15.29815 
1 1 1    1   14   33 o  595.763   7.9433  961.037   25.570  959.152   36.367  962.880   35.959  595.177   11.308  596.350   11.159 -1.172424 15.88655 
1 1 1    1   14   34 o  211.818   6.5035  121.110   7.4342  127.489   10.856  115.476   10.202  217.056   9.2554  206.581   9.1390 10.47542 13.00707 
1 1 1    1   14   35 o  169.551   7.3127   77.493   6.6581   80.796   10.077   74.933   8.8702  172.728   10.796  166.375   9.8664 6.352844 14.62535 
1 1 1    1   14   36 o  483.038   9.6206  631.868   25.111   0.0000   0.0000  631.868   25.111  ?   ?   483.038   9.6206      ?      ? 
1 1 1    1   14   37 o  526.827   7.2809  752.038   20.726  752.250   29.468  751.831   29.157  526.893   10.350  526.762   10.243 0.1311035 14.56187 
1 1 1    1   14   38 o  271.650   5.8891  199.999   8.6353  193.310   12.361  206.377   12.069  267.192   8.5610  276.107   8.0891 -8.915314 11.77815 
1 1 1    1   14   39 o  539.747   7.3735  790.142   21.505  780.797   30.330  799.589   30.496  536.532   10.461  542.963   10.394 -6.431702 14.74705 
1 1 1    1   14   40 o  216.694   6.2577  127.149   7.3142  129.397   10.708  125.182   10.014  218.471   9.0705  214.918   8.6232 3.552734 12.51531 
1 1 1    1   14   41 o  382.393   6.1609  396.113   12.722  376.765   17.724  416.678   18.272  372.755   8.7992  392.030   8.6255 -19.27496 12.32180 
1 1 1    1   14   42 o  288.376   11.626  226.351   18.117  226.351   18.117   0.0000   0.0000  288.376   11.626  ?   ?       ?      ? 
1 1 1    1   14   43 o  129.019   11.120   47.874   7.2623   38.468   11.892   53.468   9.1710  118.018   18.647  140.020   12.121 -22.00182 22.24066 
1 1 1    1   14   44 o  119.837   11.239   36.197   6.9703   54.437   11.983   26.869   8.5691  140.790   15.751   98.884   16.037 41.90621 22.47860 
1 1 1    1   14   45 o  144.516   8.1923   56.811   6.3828   51.856   8.7550   62.432   9.3251  137.792   11.758  151.240   11.410 -13.44818 16.38460 
1 1 1    1   14   46 o  237.112   5.9690  152.013   7.6121  161.717   11.450  144.327   10.190  243.808   8.6913  230.417   8.1841 13.39149 11.93807 
1 1 1    1   14   47 o  273.452   5.8218  203.161   8.5706  206.015   12.718  200.786   11.601  275.136   8.5540  271.767   7.8994 3.369415 11.64351 
1 1 1    1   14   48 o  144.287   7.6143   55.789   5.8667   65.067   9.1992   49.428   7.6166  154.141   11.044  134.434   10.485 19.70686 15.22868 
1 1 1    1   14   49 o  215.990   6.1572  127.727   7.1571  121.490   10.441  133.255   9.8298  210.885   9.1625  221.095   8.2277 -10.20988 12.31449 
1 1 1    1   14   50 o  260.169   5.8654  184.509   8.2226  186.985   12.128  182.402   11.186  261.696   8.5761  258.643   8.0039 3.052795 11.73082 
1 1 1    1   14   51 o   49.831   13.681   4.1143   5.8036  -7.2568   10.524   9.0828   6.9569   42.287   19.555   57.375   19.138 -15.08804 27.36176 
1 1 1    1   14   52 o  130.179   8.4124   46.034   5.8570   54.682   9.0809   39.874   7.6643  140.416   11.968  119.943   11.825 20.47279 16.82471 
1 1 1    1   14   53 o  145.937   8.5763   59.469   6.7293   61.923   9.1985   56.644   9.8702  149.436   11.391  142.438   12.824 6.998108 17.15253 
1 1 1    1   14   54 o   76.256   13.598   17.601   5.5642   17.630   8.4993   17.580   7.3608   75.987   20.310   76.525   18.087 -0.5373230 27.19572 
1 1 1    1   14   55 o  224.839   6.2136  138.644   7.5091  143.926   11.298  134.464   10.050  228.486   9.1506  221.192   8.4085 7.294067 12.42722 
1 1 1    1   14   56 o  149.388   10.120   62.669   7.7882   60.466   9.5977   66.914   13.327  146.719   12.106  152.057   16.220 -5.337204 20.23918 
1 1 1    1   14   57 f  327.217   9.3689  302.388   16.509  330.856   24.598  279.054   22.270  341.016   13.349  313.418   13.150 27.59811 18.73774 
1 1 1    1   14   58 o  250.014   9.5765  178.248   12.937  177.185   18.148  179.347   18.446  249.327   13.470  250.701   13.616 -1.374771 19.15310 
1 1 1    1   14   59 o   70.442   14.224   16.485   6.0793   8.8994   9.6500   21.476   7.8279   57.550   22.096   83.334   17.916 -25.78436 28.44721 
1 1 1    1   14   60 o   75.355   14.661   18.379   6.1309   20.809   9.2619   16.483   8.1795   79.490   21.180   71.220   20.278 8.269386 29.32279 
1 1 1    1   14   61 o   88.707   13.220   24.753   6.0754   27.610   9.4275   22.724   7.9453   92.579   19.463   84.835   17.895 7.743889 26.43924 
1 1 1    1   14   62 o   78.940   21.711   20.814   9.5501   20.814   9.5501   0.0000   0.0000   78.940   21.711  ?   ?       ?      ? 
1 1 1    1   14   63 o  145.759   9.0281   63.149   7.0927   69.263   10.437   57.902   9.6682  152.383   12.675  139.135   12.859 13.24756 18.05619 
1 1 1    1   14   64 o   44.406   13.330   0.4051   6.2641  -9.5831   9.1728   9.1335   8.5749   34.579   16.643   54.234   20.828 -19.65486 26.66079 
1 1 1    1   14   65 o   69.169   15.604   18.574   6.5745   18.236   9.8006   18.850   8.8651   67.864   22.715   70.475   21.399 -2.610550 31.20715 
1 1 1    1   15    0 o  149.800   6.2097   60.659   5.0266   0.0000   0.0000   60.659   5.0266  ?   ?   149.800   6.2097      ?      ? 
1 1 1    1   15    1 o  337.559   8.4615  308.141   15.434   0.0000   0.0000  308.141   15.434  ?   ?   337.559   8.4615      ?      ? 
1 1 1    1   15    2 o  696.615   8.8546  1312.41   33.331   0.0000   0.0000  1312.41   33.331  ?   ?   696.615   8.8546      ?      ? 
1 1 1    1   15    3 o  324.276   7.3972  284.304   12.962   0.0000   0.0000  284.304   12.962  ?   ?   324.276   7.3972      ?      ? 
1 1 1    1   15    4 o  582.121   8.6616  929.558   24.129  890.541   46.104  944.276   28.316  573.343   14.881  590.899   8.8681 -17.55566 17.32317 
1 1 1    1   15    5 o  352.918   6.7977  337.408   12.365  335.135   20.868  338.638   15.350  351.943   10.973  353.894   8.0270 -1.951477 13.59543 
1 1 1    1   15    9 o  494.760   6.8028  661.902   18.185  668.276   25.985  655.785   25.457  497.091   9.6739  492.429   9.5669 4.662384 13.60554 
1 1 1    1   15   10 o  653.187   11.858  1154.42   41.853   0.0000   0.0000  1154.42   41.853  ?   ?   653.187   11.858      ?      ? 
1 1 1    1   15   11 o  1016.45   12.379  2798.71   67.963  2752.46   94.530  2848.19   97.780  1007.78   17.359  1025.11   17.652 -17.32263 24.75705 
1 1 1    1   15   12 o  719.414   9.0697  1400.56   35.257  1406.46   50.118  1394.78   49.607  720.912   12.866  717.917   12.787 2.995117 18.13930 
1 1 1    1   15   13 o  427.810   6.2432  494.863   14.432  493.524   20.462  496.188   20.359  427.234   8.8635  428.388   8.7949 -1.153931 12.48645 
1 1 1    1   15   14 o  902.307   11.100  2204.18   54.117  2181.59   75.921  2227.51   77.159  897.614   15.653  907.000   15.743 -9.386414 22.20024 
1 1 1    1   15   15 o  413.138   6.1015  461.169   13.610  467.878   19.706  455.050   18.820  416.005   8.7662  410.271   8.4892 5.734283 12.20300 
1 1 1    1   15   16 o  700.183   8.9001  1326.23   33.674  1320.87   47.571  1331.62   47.673  698.763   12.599  701.604   12.574 -2.841125 17.80012 
1 1 1    1   15   17 o  1144.37   13.836  3548.78   85.561  3547.26  121.072  3550.30  120.932  1144.12   19.583  1144.62   19.552 -0.4949951 27.67283 
1 1 1    1   15   18 o  373.913   5.8587  377.835   11.835  367.873   16.585  388.172   16.894  368.891   8.3201  378.934   8.2507 -10.04294 11.71745 
1 1 1    1   15   19 o  151.384   6.8342   61.936   5.5665   62.298   8.2759   61.637   7.5224  151.782   10.090  150.985   9.2201 0.7967682 13.66843 
1 1 1    1   15   20 o  289.959   7.6935  227.277   12.054   0.0000   0.0000  227.277   12.054  ?   ?   289.959   7.6935      ?      ? 
1 1 1    1   15   21 o  502.904   6.9116  683.915   18.781  682.814   26.723  684.990   26.400  502.501   9.8414  503.307   9.7071 -0.8057556 13.82321 
1 1 1    1   15   22 o  581.244   7.6708  913.783   24.092  908.946   34.148  918.576   33.995  579.709   10.901  582.778   10.795 -3.069031 15.34158 
1 1 1    1   15   24 o  542.321   7.3607  793.377   21.538  756.724   29.489  835.288   31.533  528.937   10.317  555.706   10.501 -26.76855 14.72140 
1 1 1    1   15   25 o  474.911   6.7683  609.696   17.365  592.475   24.257  627.797   24.869  468.035   9.5910  481.787   9.5526 -13.75156 13.53662 
1 1 1    1   15   26 o  890.800   11.015  2147.26   52.969  2085.95   72.945  2215.65   77.041  877.400   15.386  904.201   15.768 -26.80115 22.03033 
1 1 1    1   15   27 o  604.615   7.9836  989.167   26.083  980.976   36.829  997.410   36.945  602.102   11.320  607.129   11.261 -5.027222 15.96717 
1 1 1    1   15   28 o  606.712   8.0446  995.887   26.371  979.301   36.941  1013.12   37.657  601.564   11.364  611.861   11.389 -10.29736 16.08925 
1 1 1    1   15   29 o  644.167   10.471  1100.62   33.454  1066.13   39.745  1184.46   61.964  627.580   11.720  660.754   17.355 -33.17407 20.94126 
1 1 1    1   15   30 o  296.617   8.7164  237.958   13.971   0.0000   0.0000  237.958   13.971  ?   ?   296.617   8.7164      ?      ? 
1 1 1    1   15   31 o  498.776   8.8074  664.077   21.807  698.198   40.121  649.771   25.979  507.513   14.630  490.039   9.8107 17.47455 17.61481 
1 1 1    1   15   32 o  296.333   6.2500  238.219   9.9744  228.335   14.530  247.030   13.717  290.484   9.2565  302.182   8.4005 -11.69897 12.50006 
1 1 1    1   15   33 o  143.573   8.7784   55.881   6.7912   55.434   9.9651   56.269   9.2800  143.020   12.894  144.126   11.916 -1.105072 17.55689 
1 1 1    1   15   34 o  497.931   7.0601  671.338   18.990  672.573   27.209  670.165   26.517  498.364   10.104  497.498   9.8640 0.8664856 14.12022 
1 1 1    1   15   35 o  214.154   8.9253  124.169   10.328   0.0000   0.0000  124.169   10.328  ?   ?   214.154   8.9253      ?      ? 
1 1 1    1   15   36 o  288.252   5.9638  225.095   9.2827  217.160   13.201  232.854   13.055  283.211   8.6263  293.293   8.2374 -10.08206 11.92760 
1 1 1    1   15   37 o  141.769   8.1967   54.452   6.2667   55.715   9.2004   53.360   8.5591  143.284   11.883  140.253   11.293 3.030869 16.39349 
1 1 1    1   15   38 o  417.940   6.4154  473.441   14.487  467.407   20.536  479.419   20.440  415.277   9.1514  420.602   8.9935 -5.324554 12.83084 
1 1 1    1   15   39 o  467.145   6.8016  587.533   17.101  542.107   22.975  643.961   25.607  447.070   9.5104  487.220   9.7262 -40.14941 13.60320 
1 1 1    1   15   40 o  139.060   9.9071   49.502   6.8611   61.171   12.957   44.954   8.0882  149.548   16.033  128.572   11.642 20.97557 19.81417 
1 1 1    1   15   41 o  436.324   9.0103  519.698   21.219  503.153   30.428  535.360   29.605  429.439   13.112  443.209   12.362 -13.77069 18.02063 
1 1 1    1   15   42 o  290.035   8.0222  231.025   12.431  192.523   17.651  268.919   17.511  265.653   12.296  314.417   10.307 -48.76410 16.04439 
1 1 1    1   15   43 o  297.530   6.7633  239.137   10.704  232.365   13.874  249.099   16.827  292.502   8.7776  302.557   10.292 -10.05539 13.52667 
1 1 1    1   15   44 o   85.803   12.654   21.019   5.6301   21.812   8.6218   20.429   7.4340   87.022   18.878   84.583   16.857 2.439568 25.30861 
1 1 1    1   15   45 o   63.687   12.538   7.8859   5.4126   22.805   8.5648  -2.0342   6.9840   88.952   18.425   38.422   17.009 50.52995 25.07522 
1 1 1    1   15   46 f  365.276   6.0694  363.379   11.971  354.968   17.124  371.420   16.743  361.078   8.7763  369.473   8.3861 -8.395905 12.13874 
1 1 1    1   15   47 o  254.929   7.8334  176.801   10.791   0.0000   0.0000  176.801   10.791  ?   ?   254.929   7.8334      ?      ? 
1 1 1    1   15   48 o  171.091   7.0022   79.652   6.4220   83.684   9.8130   76.631   8.4934  174.745   10.392  167.437   9.3874 7.307999 14.00434 
1 1 1    1   15   49 o   31.592   10.712 -10.6117   5.0703  -5.8619   8.0189 -13.7753   6.5445   36.981   17.090   26.203   12.919 10.77780 21.42374 
1 1 1    1   15   50 o  177.189   6.9010   84.592   6.5481  100.556   10.049   72.812   8.6324  191.471   9.7125  162.906   9.8063 28.56548 13.80203 
1 1 1    1   15   51 o  105.581   10.657   33.034   5.6280   25.927   8.7381   38.072   7.3573   93.905   17.873  117.256   11.612 -23.35072 21.31395 
1 1 1    1   15   52 o  135.981   16.725   52.770   12.289   52.770   12.289   0.0000   0.0000  135.981   16.725  ?   ?       ?      ? 
1 1 1    1   15   53 o  134.527   9.1969   50.601   6.6663   49.011   9.0366   52.500   9.8742  132.352   12.635  136.703   13.367 -4.351105 18.39378 
1 1 1    1   15   54 o  227.107   7.0939  143.426   8.5900  147.452   11.366  138.063   13.118  231.322   9.0928  222.893   10.891 8.428909 14.18785 
1 1 1    1   15   55 o  175.395   9.7027   84.815   8.5745   80.576   10.299   94.392   15.480  169.852   11.221  180.938   15.832 -11.08574 19.40536 
1 1 1    1   15   56 o  156.785   12.220   71.521   10.288   61.892   13.837   83.423   15.385  144.807   17.684  168.762   16.870 -23.95497 24.44045 
1 1 1    1   15   57 o  108.616   17.334   38.596   9.9090   38.378   13.488   38.851   14.605  108.981   23.588  108.250   25.405 0.7305908 34.66734 
1 1 1    1   15   58 o   63.346   14.349   13.154   6.5581  -3.0158   12.598   19.165   7.6808   48.311   21.986   78.380   18.442 -30.06895 28.69702 
1 1 1    1   15   59 f  204.258   7.0562  116.554   7.7443  120.691   11.663  113.292   10.357  207.156   10.419  201.361   9.5186 5.794388 14.11243 
1 1 1    1   15   60 o  175.540   7.7355   85.639   7.2486  105.566   11.243   71.462   9.4827  192.723   10.796  158.357   11.082 34.36670 15.47098 
1 1 1    1   15   61 o  161.419   8.9677   77.457   7.3023   47.308   10.289  108.055   10.365  126.631   15.037  196.206   9.7764 -69.57567 17.93538 
1 1 1    1   15   62 o   69.742   21.296   17.280   8.7622   0.0000   0.0000   17.280   8.7622  ?   ?    69.742   21.296      ?      ? 
1 1 1    1   15   63 o  173.268   8.0783   87.493   7.5297   84.522   11.046   90.073   10.291  169.839   12.036  176.696   10.778 -6.856873 16.15651 
1 1 1    1   15   64 o   70.117   14.047   16.163   6.5532   31.533   9.9312   4.3094   8.7214   94.447   20.078   45.788   19.650 48.65896 28.09300 
1 1 1    1   16    0 o  633.312   8.2124  1084.41   28.104   0.0000   0.0000  1084.41   28.104  ?   ?   633.312   8.2124      ?      ? 
1 1 1    1   16    1 o  158.241   6.5833   67.685   5.6292   0.0000   0.0000   67.685   5.6292  ?   ?   158.241   6.5833      ?      ? 
1 1 1    1   16    2 o  314.950   5.6354  268.091   9.5907   0.0000   0.0000  268.091   9.5907  ?   ?   314.950   5.6354      ?      ? 
1 1 1    1   16    3 o  878.192   10.859  2086.22   51.529   0.0000   0.0000  2086.22   51.529  ?   ?   878.192   10.859      ?      ? 
1 1 1    1   16    4 o  724.814   11.149  1420.25   41.050  1431.08   71.623  1414.96   50.095  726.558   18.243  723.070   12.821 3.487976 22.29761 
1 1 1    1   16    5 o  124.484   7.5251   39.949   4.8974   49.820   8.3092   34.695   6.0624  135.704   11.331  113.264   9.9052 22.43997 15.05029 
1 1 1    1   16    7 o  606.578   7.9506  995.310   26.060  993.058   36.813  997.572   36.895  605.890   11.244  607.266   11.244 -1.375366 15.90114 
1 1 1    1   16    9 o  397.263   6.0752  426.667   13.041  423.996   18.386  429.373   18.501  396.011   8.5919  398.514   8.5914 -2.503265 12.15049 
1 1 1    1   16   10 o  761.031   9.5928  1566.47   39.436  1536.54   54.902  1598.37   56.681  753.533   13.483  768.529   13.649 -14.99609 19.18564 
1 1 1    1   16   12 o  397.221   8.6154  426.558   18.493   0.0000   0.0000  426.558   18.493  ?   ?   397.221   8.6154      ?      ? 
1 1 1    1   16   13 o  1124.81   13.626  3426.70   82.790  3373.93  115.309  3482.84  118.940  1115.90   19.123  1133.72   19.415 -17.81787 27.25102 
1 1 1    1   16   15 o  416.129   6.2413  467.992   14.029  473.835   20.169  462.515   19.527  418.642   8.9155  413.617   8.7366 5.025238 12.48256 
1 1 1    1   16   16 o  426.529   6.3056  491.836   14.530  493.429   20.781  490.312   20.324  427.201   9.0021  425.856   8.8320 1.345703 12.61113 
1 1 1    1   16   18 o  470.022   6.7034  597.364   17.021  597.266   24.367  597.456   23.785  469.980   9.5946  470.064   9.3641 -0.8392334E-01 13.40679 
1 1 1    1   16   19 o  345.381   5.9353  322.322   11.071  327.365   15.978  317.666   15.353  347.975   8.4974  342.787   8.2888 5.188080 11.87052 
1 1 1    1   16   20 o  938.353   11.526  2382.91   58.413  2333.84   80.986  2436.12   84.331  928.312   16.145  948.393   16.456 -20.08051 23.05289 
1 1 1    1   16   21 o  413.790   6.3425  462.817   14.175  467.710   20.412  458.261   19.699  415.898   9.0828  411.683   8.8552 4.214691 12.68510 
1 1 1    1   16   22 f  940.820   11.581  2397.57   58.864  2364.62   82.276  2432.12   84.251  934.213   16.298  947.427   16.457 -13.21338 23.16143 
1 1 1    1   16   23 o  748.804   9.4906  1517.96   38.400  1502.59   53.974  1533.71   54.643  744.967   13.408  752.640   13.436 -7.672058 18.98127 
1 1 1    1   16   24 o  269.147   6.0079  196.123   8.7246  190.822   12.583  201.030   12.107  265.633   8.7666  272.661   8.2173 -7.027618 12.01571 
1 1 1    1   16   25 o  446.203   6.6603  538.564   16.057  530.620   22.770  546.422   22.646  442.925   9.5134  449.481   9.3239 -6.556305 13.32068 
1 1 1    1   16   26 o  420.129   6.5456  476.815   14.850  453.814   20.622  501.585   21.401  409.616   9.3168  430.642   9.1965 -21.02570 13.09114 
1 1 1    1   16   27 o  225.625   6.6714  137.734   8.1192  137.264   11.831  138.152   11.162  225.253   9.7203  225.997   9.1403 -0.7436523 13.34273 
1 1 1    1   16   28 o  408.756   8.1574  445.159   16.720  433.722   20.061  471.171   30.256  400.426   9.2714  417.086   13.424 -16.66077 16.31479 
1 1 1    1   16   29 o  658.069   17.366  1175.22   61.753   0.0000   0.0000  1175.22   61.753  ?   ?   658.069   17.366      ?      ? 
1 1 1    1   16   30 o  622.725   10.156  1047.83   31.930  1061.94   56.449  1041.20   38.720  625.398   16.704  620.052   11.556 5.345947 20.31156 
1 1 1    1   16   33 o  324.207   6.1903  284.834   10.832  276.409   15.550  292.777   15.098  319.526   9.0059  328.888   8.4955 -9.361542 12.38066 
1 1 1    1   16   35 o  308.399   8.3946  257.500   13.989   0.0000   0.0000  257.500   13.989  ?   ?   308.399   8.3946      ?      ? 
1 1 1    1   16   36 o  746.948   9.5117  1513.82   38.345  1460.88   52.665  1573.55   55.939  733.128   13.294  760.767   13.607 -27.63940 19.02343 
1 1 1    1   16   37 o  162.603   7.6720   73.179   6.5994   62.703   9.9387   81.440   8.8260  151.898   12.109  173.309   9.4244 -21.41159 15.34393 
1 1 1    1   16   38 o  140.529   10.694   56.349   7.1575   48.559   13.355   59.489   8.4778  133.044   18.577  148.015   10.600 -14.97125 21.38819 
1 1 1    1   16   39 o  272.512   8.0916  202.029   11.765  201.599   18.123  202.342   15.466  272.118   12.325  272.905   10.488 -0.7877502 16.18326 
1 1 1    1   16   40 o  214.567   8.7073  123.786   9.7716  132.387   16.208  118.874   12.248  220.122   13.626  209.012   10.844 11.11002 17.41454 
1 1 1    1   16   41 o  118.149   10.306   38.164   6.5726   39.566   9.5733   36.914   9.0397  120.179   14.742  116.119   14.407 4.060669 20.61231 
1 1 1    1   16   42 o  413.074   6.4219  463.745   14.328  461.778   20.545  465.607   19.992  412.184   9.2242  413.965   8.9374 -1.780640 12.84380 
1 1 1    1   16   43 o  509.324   7.1923  706.877   19.792  691.062   27.851  723.012   28.131  503.542   10.236  515.107   10.107 -11.56485 14.38451 
1 1 1    1   16   44 o  185.025   6.7857   92.610   6.6990   97.517   10.440   89.174   8.7345  189.054   10.219  180.995   8.9306 8.059189 13.57149 
1 1 1    1   16   45 o   75.057   13.516   15.885   5.4465   19.711   8.5651   13.288   7.0570   82.261   19.556   67.852   18.664 14.40862 27.03242 
1 1 1    1   16   46 o  241.964   6.0740  159.121   7.8803  162.748   11.968  156.346   10.470  244.275   9.0667  239.653   8.0852 4.622025 12.14807 
1 1 1    1   16   47 o  219.814   6.3585  131.813   7.4881  133.115   11.380  130.819   9.9443  220.621   9.5454  219.008   8.4028 1.613068 12.71703 
1 1 1    1   16   48 o  283.055   6.0386  219.410   9.2077  205.085   13.235  232.847   12.818  273.932   8.9411  292.178   8.1188 -18.24576 12.07721 
1 1 1    1   16   49 o   43.865   13.117   0.2212   5.2822   4.2256   8.5521  -2.2488   6.7165   50.781   20.398   36.949   16.499 13.83271 26.23488 
1 1 1    1   16   50 f   54.371   14.188   7.2465   5.4722   6.7622   8.4309   7.5991   7.1934   54.499   20.718   54.242   19.391 0.2569160 28.37686 
1 1 1    1   16   51 o  159.890   7.5244   70.239   6.4028   73.028   10.039   68.326   8.3132  162.268   11.449  157.512   9.7672 4.756485 15.04881 
1 1 1    1   16   52 o  205.675   8.1719  118.436   8.2874  115.766   15.091  119.588   9.9166  202.756   13.774  208.595   8.7977 -5.839005 16.34388 
1 1 1    1   16   53 o   95.112   14.497   26.319   6.7119   31.464   12.498   24.234   7.9568   99.776   23.557   90.448   16.901 9.327629 28.99309 
1 1 1    1   16   54 o  232.546   9.7688  149.835   12.275  149.835   12.275   0.0000   0.0000  232.546   9.7688  ?   ?       ?      ? 
1 1 1    1   16   55 o   82.368   19.224   22.803   9.8773   23.311   12.831   22.065   15.474   83.641   25.810   81.096   28.497 2.544502 38.44765 
1 1 1    1   16   56 o  261.596   9.8021  195.734   13.835  205.270   19.428  185.923   19.706  268.546   13.388  254.647   14.321 13.89920 19.60428 
1 1 1    1   16   57 o   29.919   14.570 -11.9415   7.5741   0.0000   0.0000 -11.9415   7.5741  ?   ?    29.919   14.570      ?      ? 
1 1 1    1   16   58 o  264.643   6.4798  195.574   9.2081  190.342   13.699  199.888   12.437  260.911   9.7163  268.375   8.5760 -7.463654 12.95968 
1 1 1    1   16   59 o   97.564   13.212   29.982   6.6618   33.303   10.211   27.520   8.7903  101.869   19.255   93.258   18.096 8.611160 26.42376 
1 1 1    1   16   60 o  165.438   11.631   78.032   10.398   0.0000   0.0000   78.032   10.398  ?   ?   165.438   11.631      ?      ? 
1 1 1    1   16   61 o   65.300   15.584   14.935   6.6735   11.502   9.9200   17.773   9.0196   59.348   22.494   71.251   21.573 -11.90341 31.16735 
1 1 1    1   16   62 o  185.213   7.9744   99.543   7.9666  104.292   11.702   95.441   10.876  189.114   11.451  181.313   11.101 7.801086 15.94871 
1 1 1    1   16   63 o   44.505   13.828   1.2810   6.5116   7.6082   9.8664  -3.6014   8.6671   51.554   21.442   37.456   17.466 14.09812 27.65509 
1 1 1    1   17    0 o  289.802   5.7008  226.977   8.9275   0.0000   0.0000  226.977   8.9275  ?   ?   289.802   5.7008      ?      ? 
1 1 1    1   17    1 o  418.104   6.3715  472.470   14.395   0.0000   0.0000  472.470   14.395  ?   ?   418.104   6.3715      ?      ? 
1 1 1    1   17    2 o  1513.16   18.100  6203.18  147.994   0.0000   0.0000  6203.18  147.994  ?   ?   1513.16   18.100      ?      ? 
1 1 1    1   17    3 o  542.790   8.6386  796.507   25.337   0.0000   0.0000  796.507   25.337  ?   ?   542.790   8.6386      ?      ? 
1 1 1    1   17    4 o  614.720   11.594  1022.09   38.511   0.0000   0.0000  1022.09   38.511  ?   ?   614.720   11.594      ?      ? 
1 1 1    1   17    5 o  693.514   10.736  1305.85   38.109  1289.41   65.170  1314.40   46.979  689.979   17.479  697.050   12.472 -7.070862 21.47295 
1 1 1    1   17    6 o  629.593   16.238  1073.20   55.242  1073.20   55.242   0.0000   0.0000  629.593   16.238  ?   ?       ?      ? 
1 1 1    1   17   10 o  108.181   9.0525   31.888   5.2401   36.841   7.3880   26.873   7.4334  116.708   11.715   99.655   13.804 17.05286 18.10492 
1 1 1    1   17   12 o  641.319   8.3402  1112.54   28.902  1104.84   40.788  1120.30   40.960  639.090   11.811  643.547   11.779 -4.456421 16.68036 
1 1 1    1   17   13 o  298.634   5.7259  241.066   9.2372  242.130   13.238  240.056   12.896  299.274   8.1858  297.993   8.0085 1.280853 11.45174 
1 1 1    1   17   14 o  561.224   7.5565  850.984   22.896  871.276   33.233  832.649   31.588  567.578   10.836  554.870   10.535 12.70874 15.11295 
1 1 1    1   17   15 o  508.921   7.0885  700.172   19.490  687.881   27.263  713.021   27.875  504.355   10.003  513.487   10.046 -9.131866 14.17704 
1 1 1    1   17   16 o  278.790   5.9596  210.051   8.9758  203.640   12.570  216.721   12.821  274.451   8.4757  283.130   8.3802 -8.679596 11.91915 
1 1 1    1   17   17 o  1073.13   13.074  3120.75   75.807  3093.57  106.392  3148.78  108.041  1068.40   18.428  1077.87   18.550 -9.469727 26.14751 
1 1 1    1   17   18 o  285.331   6.0070  220.134   9.2602  215.021   13.077  225.276   13.115  282.006   8.5815  288.657   8.4081 -6.651062 12.01403 
1 1 1    1   17   20 o  550.200   7.5165  817.889   22.331  791.971   30.864  846.361   32.349  541.070   10.556  559.331   10.703 -18.26135 15.03300 
1 1 1    1   17   21 o  414.626   9.0898  464.948   20.366   0.0000   0.0000  464.948   20.366  ?   ?   414.626   9.0898      ?      ? 
1 1 1    1   17   22 o  581.870   7.8684  915.394   24.728  892.232   34.336  940.352   35.643  574.234   11.066  589.505   11.189 -15.27167 15.73677 
1 1 1    1   17   23 o  867.477   15.262  2038.81   71.541   0.0000   0.0000  2038.81   71.541  ?   ?   867.477   15.262      ?      ? 
1 1 1    1   17   24 o  248.235   6.5756  166.611   8.8186  169.731   12.626  163.639   12.322  250.503   9.3277  245.967   9.2709 4.535553 13.15125 
1 1 1    1   17   26 o  771.936   9.8090  1612.21   40.880  1568.93   56.390  1660.16   59.349  761.052   13.712  782.819   14.030 -21.76685 19.61803 
1 1 1    1   17   27 o  306.397   13.010  254.279   21.541   0.0000   0.0000  254.279   21.541  ?   ?   306.397   13.010      ?      ? 
1 1 1    1   17   28 o  468.767   8.7014  578.214   20.264  553.605   24.046  638.513   37.640  452.276   9.8390  485.259   14.355 -32.98349 17.40281 
1 1 1    1   17   29 o  855.612   13.137  1994.03   57.270  1978.83   98.915  2001.70   70.241  852.261   21.478  858.962   15.133 -6.700500 26.27421 
1 1 1    1   17   30 o  165.251   10.250   78.130   8.2916   64.009   14.582   84.877   10.080  153.453   17.586  177.049   10.536 -23.59523 20.50027 
1 1 1    1   17   31 o  350.966   8.6931  333.413   16.487   0.0000   0.0000  333.413   16.487  ?   ?   350.966   8.6931      ?      ? 
1 1 1    1   17   32 o  282.199   6.3002  215.317   9.5868  220.016   14.087  211.263   13.084  285.047   9.1455  279.351   8.6678 5.696533 12.60041 
1 1 1    1   17   33 o  283.862   8.5380  218.158   13.096   0.0000   0.0000  218.158   13.096  ?   ?   283.862   8.5380      ?      ? 
1 1 1    1   17   34 o  603.966   11.339  989.583   37.006   0.0000   0.0000  989.583   37.006  ?   ?   603.966   11.339      ?      ? 
1 1 1    1   17   35 o  317.565   6.1848  273.384   10.587  271.365   15.497  275.152   14.498  316.431   9.0631  318.699   8.4184 -2.267517 12.36970 
1 1 1    1   17   36 f  149.314   11.348   57.944   8.7683   71.194   15.265   51.419   10.712  161.281   17.515  137.348   14.433 23.93338 22.69554 
1 1 1    1   17   37 o  446.204   9.3268  542.547   22.418  539.640   32.981  545.045   30.565  444.944   13.718  447.464   12.641 -2.519623 18.65366 
1 1 1    1   17   38 o  252.943   8.3600  174.853   11.176  170.901   17.647  177.500   14.442  250.338   13.046  255.548   10.458 -5.209656 16.72009 
1 1 1    1   17   39 f  220.210   6.5505  131.535   7.7532  133.624   11.619  129.858   10.410  221.727   9.6972  218.694   8.8090 3.033691 13.10098 
1 1 1    1   17   40 o  315.269   6.1079  270.280   10.386  260.854   14.983  278.999   14.410  309.914   8.9471  320.624   8.3171 -10.71024 12.21572 
1 1 1    1   17   41 o  288.040   6.0060  224.721   9.3023  231.711   13.949  219.123   12.483  291.998   8.8407  284.083   8.1319 7.915039 12.01193 
1 1 1    1   17   42 o   53.221   13.756   3.2055   5.7226   13.208   8.9117  -3.8127   7.4650   68.657   21.563   37.785   17.088 30.87223 27.51283 
1 1 1    1   17   43 o  257.800   6.0878  181.827   8.4279  169.426   12.354  192.622   11.527  249.411   9.1666  266.188   8.0135 -16.77740 12.17552 
1 1 1    1   17   44 o  179.200   7.0379   88.213   6.7166   84.095   10.277   91.283   8.8738  175.355   10.846  183.045   8.9715 -7.689560 14.07577 
1 1 1    1   17   45 o  373.292   8.5593  379.823   17.265   0.0000   0.0000  379.823   17.265  ?   ?   373.292   8.5593      ?      ? 
1 1 1    1   17   46 o  266.783   8.1817  194.054   11.795   0.0000   0.0000  194.054   11.795  ?   ?   266.783   8.1817      ?      ? 
1 1 1    1   17   47 o  113.312   9.5532   34.253   5.7326   45.139   9.1509   27.221   7.3545  127.615   13.270   99.010   13.746 28.60543 19.10643 
1 1 1    1   17   48 o  223.327   6.3964  136.106   7.6366  139.964   11.756  133.290   10.045  225.852   9.6323  220.802   8.4187 5.050842 12.79283 
1 1 1    1   17   49 o  157.990   10.031   68.702   8.5638   0.0000   0.0000   68.702   8.5638  ?   ?   157.990   10.031      ?      ? 
1 1 1    1   17   50 o   29.094   10.090 -14.1189   5.3741 -18.6862   8.5374 -11.1214   6.9163   29.219   14.470   28.968   14.065 0.2510605 20.17915 
1 1 1    1   17   51 o  230.856   6.2722  145.974   7.7852  151.817   11.696  141.326   10.432  234.830   9.2174  226.883   8.5089 7.947098 12.54436 
1 1 1    1   17   52 f  122.971   9.6675   44.006   6.2057   34.821   9.3365   51.275   8.3061  110.282   15.667  135.660   11.331 -25.37811 19.33510 
1 1 1    1   17   53 o   51.874   23.500  -3.3694   14.190   0.0000   0.0000  -3.3694   14.190  ?   ?    51.874   23.500      ?      ? 
1 1 1    1   17   54 o   83.965   19.332   23.130   9.9996   18.822   13.060   29.234   15.546   76.143   26.212   91.786   28.424 -15.64243 38.66473 
1 1 1    1   17   55 o   80.011   26.145   21.257   13.009   21.257   13.009   0.0000   0.0000   80.011   26.145  ?   ?       ?      ? 
1 1 1    1   17   56 o  264.640   6.5395  193.398   9.2606  204.663   14.274  185.211   12.169  270.820   9.7539  258.460   8.7133 12.36081 13.07895 
1 1 1    1   17   57 o  210.668   7.0698  122.694   7.9603  135.268   12.401  113.881   10.381  219.372   10.461  201.963   9.5125 17.40823 14.13961 
1 1 1    1   17   58 o  147.897   8.8706   62.351   7.0225   70.209   10.881   56.741   9.1937  155.442   12.954  140.352   12.122 15.08948 17.74129 
1 1 1    1   17   59 o  149.297   14.153   65.158   11.418   65.158   11.418   0.0000   0.0000  149.297   14.153  ?   ?       ?      ? 
1 1 1    1   17   60 o  115.756   11.398   40.932   7.0540   41.295   10.758   40.659   9.3430  115.196   17.282  116.317   14.865 -1.120346 22.79512 
1 1 1    1   17   61 o   80.566   15.526   23.391   6.9873   28.343   10.375   19.280   9.4523   88.788   21.788   72.343   22.124 16.44505 31.05122 
1 1 1    1   17   62 o   45.083   14.088   2.3408   6.7869  -0.7921   10.683   4.4609   8.7883   43.653   20.010   46.514   19.837 -2.861629 28.17593 
1 1 1    1   18    0 o  533.550   7.3935  769.494   21.316   0.0000   0.0000  769.494   21.316  ?   ?   533.550   7.3935      ?      ? 
1 1 1    1   18    1 o  273.971   7.5383  202.896   11.160   0.0000   0.0000  202.896   11.160  ?   ?   273.971   7.5383      ?      ? 
1 1 1    1   18    2 o  425.677   8.8065  489.891   20.257   0.0000   0.0000  489.891   20.257  ?   ?   425.677   8.8065      ?      ? 
1 1 1    1   18    3 o  1007.73   12.328  2747.28   67.131   0.0000   0.0000  2747.28   67.131  ?   ?   1007.73   12.328      ?      ? 
1 1 1    1   18    4 o  662.412   8.6369  1186.28   30.915   0.0000   0.0000  1186.28   30.915  ?   ?   662.412   8.6369      ?      ? 
1 1 1    1   18    5 o  311.992   6.6079  258.130   10.477  277.928   18.552  248.859   12.696  320.571   10.710  303.414   7.7434 17.15640 13.21578 
1 1 1    1   18    6 o  256.812   6.3906  177.655   8.3898  180.360   14.485  176.289   10.292  258.249   10.380  255.375   7.4582 2.874161 12.78129 
1 1 1    1   18    7 o  537.920   7.3817  782.541   21.456  780.333   30.347  784.747   30.341  537.161   10.455  538.680   10.423 -1.518616 14.76331 
1 1 1    1   18    9 o  555.433   7.5858  834.190   22.765  820.854   31.920  847.997   32.478  550.916   10.722  559.949   10.734 -9.033569 15.17167 
1 1 1    1   18   10 o  495.762   7.0568  664.567   18.903  651.023   26.595  678.395   26.872  490.656   10.031  500.869   9.9285 -10.21304 14.11352 
1 1 1    1   18   12 o  880.216   10.933  2097.38   51.996  2073.52   72.831  2122.19   74.256  875.119   15.401  885.314   15.522 -10.19550 21.86633 
1 1 1    1   18   13 o  677.465   8.7856  1241.22   32.153  1219.70   44.825  1264.04   46.146  671.423   12.355  683.507   12.494 -12.08417 17.57123 
1 1 1    1   18   14 o  130.395   9.0458   45.800   6.3458   52.300   9.2930   40.121   8.6864  139.031   12.370  121.759   13.202 17.27173 18.09170 
1 1 1    1   18   15 o  128.291   9.3002   44.636   6.4117   38.875   8.9899   50.600   9.1472  119.836   13.883  136.745   12.379 -16.90909 18.60038 
1 1 1    1   18   18 o  235.366   9.3571  149.832   11.901   0.0000   0.0000  149.832   11.901  ?   ?   235.366   9.3571      ?      ? 
1 1 1    1   18   19 o  162.014   8.1203   70.747   7.0911   78.137   10.374   64.266   9.7154  169.928   11.297  154.100   11.667 15.82809 16.24059 
1 1 1    1   18   20 o  720.428   9.2867  1404.17   36.136  1373.44   50.184  1437.25   52.076  712.259   13.039  728.596   13.227 -16.33771 18.57339 
1 1 1    1   18   21 o  518.971   7.3858  728.117   20.704  709.437   28.782  748.148   29.804  512.081   10.401  525.861   10.489 -13.77979 14.77159 
1 1 1    1   18   22 o  412.303   9.5288  459.853   21.230  459.853   21.230   0.0000   0.0000  412.303   9.5288  ?   ?       ?      ? 
1 1 1    1   18   23 o  216.201   10.333  126.477   12.071   0.0000   0.0000  126.477   12.071  ?   ?   216.201   10.333      ?      ? 
1 1 1    1   18   24 o  457.104   6.9807  564.909   17.236  545.429   24.042  585.511   24.724  448.999   9.9090  465.209   9.8351 -16.21002 13.96131 
1 1 1    1   18   25 o  593.027   8.1018  951.144   25.948  921.208   35.988  983.559   37.448  583.322   11.417  602.731   11.498 -19.40900 16.20357 
1 1 1    1   18   26 o  713.979   18.589  1385.81   71.719   0.0000   0.0000  1385.81   71.719  ?   ?   713.979   18.589      ?      ? 
1 1 1    1   18   27 f  346.173   13.060  324.775   24.430   0.0000   0.0000  324.775   24.430  ?   ?   346.173   13.060      ?      ? 
1 1 1    1   18   28 o  455.919   13.819  563.739   34.044  563.739   34.044   0.0000   0.0000  455.919   13.819  ?   ?       ?      ? 
1 1 1    1   18   29 o  406.690   8.0092  443.641   16.500  461.487   29.168  435.242   20.010  412.432   13.088  400.949   9.2355 11.48322 16.01837 
1 1 1    1   18   30 o  487.946   7.1567  644.571   18.863  624.746   26.284  665.626   27.088  480.214   10.129  495.678   10.113 -15.46445 14.31349 
1 1 1    1   18   31 o  259.080   8.7832  181.746   12.296   0.0000   0.0000  181.746   12.296  ?   ?   259.080   8.7832      ?      ? 
1 1 1    1   18   32 o  578.860   7.8889  908.705   24.674  894.222   34.689  923.537   35.104  574.188   11.180  583.533   11.133 -9.345642 15.77783 
1 1 1    1   18   33 o  475.065   8.6932  625.763   21.202  570.495   35.219  657.180   26.554  457.831   14.236  492.299   9.9818 -34.46817 17.38650 
1 1 1    1   18   34 o  235.067   9.3554  151.289   11.717  144.459   17.913  156.396   15.491  230.247   14.397  239.887   11.950 -9.640900 18.71075 
1 1 1    1   18   35 o  260.211   8.9472  185.904   12.412  172.815   18.767  196.081   16.549  251.820   13.792  268.601   11.402 -16.78107 17.89432 
1 1 1    1   18   36 o  507.810   10.110  703.821   27.679  707.432   40.568  700.676   37.859  508.857   14.754  506.763   13.825 2.093903 20.21911 
1 1 1    1   18   37 o  420.929   6.5945  481.369   14.991  477.341   21.505  485.177   20.910  419.176   9.4941  422.683   9.1548 -3.507660 13.18896 
1 1 1    1   18   38 o  361.196   6.3338  354.520   12.351  338.017   17.484  370.960   17.451  352.755   9.1725  369.637   8.7368 -16.88190 12.66758 
1 1 1    1   18   39 o  198.777   7.1141  107.938   7.5715  104.013   11.391  111.045   10.134  195.423   10.787  202.131   9.2785 -6.708130 14.22827 
1 1 1    1   18   40 o  211.764   6.5743  121.460   7.4609  126.162   11.394  117.931   9.8717  215.255   9.7955  208.274   8.7714 6.980545 13.14870 
1 1 1    1   18   41 o   87.154   13.301   22.177   6.0100   20.415   9.3335   23.424   7.8553   83.679   20.745   90.629   16.654 -6.950150 26.60254 
1 1 1    1   18   42 o  207.873   6.5653  117.793   7.3207  117.338   11.027  118.152   9.7895  207.406   9.8386  208.341   8.6956 -0.9351501 13.13057 
1 1 1    1   18   43 o  382.428   6.3906  398.597   13.196  378.044   18.517  419.810   18.812  372.349   9.2029  392.507   8.8693 -20.15714 12.78115 
1 1 1    1   18   44 o  166.703   7.6751   75.844   6.8228   78.477   10.616   73.990   8.9058  168.975   11.626  164.432   10.023 4.542786 15.35027 
1 1 1    1   18   45 o   68.598   14.535   13.106   5.6925   16.718   9.2899   10.935   7.2031   75.214   21.673   61.982   19.373 13.23206 29.06948 
1 1 1    1   18   46 o  202.436   6.6806  112.887   7.1896  108.209   11.083  116.285   9.4471  198.529   10.331  206.342   8.4727 -7.813370 13.36113 
1 1 1    1   18   47 o  155.519   7.8139   65.266   6.4493   74.509   10.361   59.421   8.2402  164.117   11.683  146.922   10.379 17.19432 15.62781 
1 1 1    1   18   48 o  168.196   7.4845   78.585   6.6476   75.347   10.455   80.783   8.6126  164.868   11.736  171.524   9.2923 -6.655701 14.96904 
1 1 1    1   18   49 o   92.557   12.566   26.315   5.9031   20.247   9.4003   30.265   7.5852   81.275   21.187  103.839   13.518 -22.56356 25.13250 
1 1 1    1   18   50 o  114.724   10.214   37.507   6.1749   35.813   9.7363   38.647   7.9866  111.918   16.099  117.530   12.575 -5.611763 20.42865 
1 1 1    1   18   51 o   78.736   17.617   17.053   7.9063   12.355   9.4015   28.401   14.611   64.855   22.245   92.616   27.324 -27.76042 35.23391 
1 1 1    1   18   52 o  115.414   16.535   42.800   9.9783   47.793   13.232   36.216   15.194  126.711   19.325  104.118   26.836 22.59232 33.06976 
1 1 1    1   18   53 o  114.223   17.448   41.950   10.414   35.653   13.819   50.225   15.843  103.987   24.919  124.459   24.429 -20.47234 34.89652 
1 1 1    1   18   54 o  178.548   9.8222   88.634   9.4766   0.0000   0.0000   88.634   9.4766  ?   ?   178.548   9.8222      ?      ? 
1 1 1    1   18   55 o   59.756   15.654   9.7448   6.9025   14.395   9.9336   5.4032   9.5983   67.240   22.867   52.273   21.384 14.96736 31.30751 
1 1 1    1   18   56 o  156.456   9.4722   70.753   7.9765   76.938   11.222   64.437   11.340  163.904   12.670  149.008   14.084 14.89520 18.94432 
1 1 1    1   18   57 o   82.919   14.684   23.830   6.7215   17.175   10.415   28.579   8.7990   70.481   23.412   95.357   17.729 -24.87618 29.36726 
1 1 1    1   18   58 o  142.769   12.646   58.669   9.7563   0.0000   0.0000   58.669   9.7563  ?   ?   142.769   12.646      ?      ? 
1 1 1    1   18   59 o   72.352   16.075   18.215   6.9881   22.192   10.647   15.206   9.2623   78.480   23.367   66.223   22.082 12.25704 32.14989 
1 1 1    1   18   60 o   38.519   12.797  -5.4797   6.8820  -9.9827   10.343  -1.9023   9.2190   36.540   17.609   40.499   18.573 -3.959488 25.59348 
1 1 1    1   18   61 o  141.210   9.9483   61.069   7.4786   59.644   11.461   62.125   9.8696  138.227   15.344  144.194   12.667 -5.967834 19.89655 
1 1 1    1   19    0 o  717.962   9.1976  1393.76   35.683   0.0000   0.0000  1393.76   35.683  ?   ?   717.962   9.1976      ?      ? 
1 1 1    1   19    1 o  364.429   6.2647  358.951   12.337   0.0000   0.0000  358.951   12.337  ?   ?   364.429   6.2647      ?      ? 
1 1 1    1   19    2 o  506.760   8.2759  694.265   22.662   0.0000   0.0000  694.265   22.662  ?   ?   506.760   8.2759      ?      ? 
1 1 1    1   19    3 f  1436.00   17.234  5586.10  133.732   0.0000   0.0000  5586.10  133.732  ?   ?   1436.00   17.234      ?      ? 
1 1 1    1   19    4 o  643.089   8.4565  1118.09   29.387   0.0000   0.0000  1118.09   29.387  ?   ?   643.089   8.4565      ?      ? 
1 1 1    1   19    5 o  358.883   9.5451  348.271   18.511   0.0000   0.0000  348.271   18.511  ?   ?   358.883   9.5451      ?      ? 
1 1 1    1   19    6 o  461.770   7.6408  578.064   16.799  573.874   32.657  579.572   19.590  460.514   13.123  463.025   7.8297 -2.511749 15.28153 
1 1 1    1   19    7 o  413.938   7.5990  465.006   16.158  458.333   27.412  468.559   20.003  411.586   12.325  416.290   8.8922 -4.704407 15.19802 
1 1 1    1   19    8 o  782.334   14.045  1656.70   59.374   0.0000   0.0000  1656.70   59.374  ?   ?   782.334   14.045      ?      ? 
1 1 1    1   19   10 o  553.196   10.857  827.803   32.454   0.0000   0.0000  827.803   32.454  ?   ?   553.196   10.857      ?      ? 
1 1 1    1   19   11 o  425.306   6.6831  489.154   15.358  479.999   21.643  498.439   21.795  421.295   9.5072  429.316   9.3950 -8.020966 13.36615 
1 1 1    1   19   12 o  122.787   10.464   40.554   6.7691   54.297   10.083   29.279   9.1330  141.627   13.175  103.948   16.260 37.67833 20.92758 
1 1 1    1   19   15 o  462.862   9.8448  579.528   24.623   0.0000   0.0000  579.528   24.623  ?   ?   462.862   9.8448      ?      ? 
1 1 1    1   19   16 o  970.164   11.991  2547.28   62.780  2469.15   86.172  2635.65   91.649  954.385   16.709  985.942   17.202 -31.55621 23.98170 
1 1 1    1   19   18 o  960.956   11.898  2503.66   61.778  2486.63   86.826  2521.12   87.920  957.656   16.778  964.255   16.874 -6.598511 23.79563 
1 1 1    1   19   19 o  341.171   9.3482  314.856   17.234   0.0000   0.0000  314.856   17.234  ?   ?   341.171   9.3482      ?      ? 
1 1 1    1   19   20 f  253.356   6.9929  173.675   9.5721  172.891   13.646  174.434   13.431  252.790   9.9895  253.922   9.7885 -1.132538 13.98589 
1 1 1    1   19   21 o  548.202   7.7535  812.682   22.959  789.473   31.936  837.507   33.030  540.110   10.942  556.295   10.988 -16.18481 15.50708 
1 1 1    1   19   22 f  432.964   6.9327  507.197   16.218  498.883   22.885  515.586   22.988  429.395   9.8629  436.532   9.7453 -7.136749 13.86538 
1 1 1    1   19   24 o  524.509   7.5117  742.623   21.255  706.857   29.056  783.789   31.173  510.975   10.523  538.043   10.722 -27.06787 15.02332 
1 1 1    1   19   25 o  765.037   9.8059  1586.05   40.522  1556.43   56.360  1617.75   58.302  757.667   13.766  772.407   13.969 -14.73969 19.61177 
1 1 1    1   19   26 o  343.934   12.840  320.721   23.863   0.0000   0.0000  320.721   23.863  ?   ?   343.934   12.840      ?      ? 
1 1 1    1   19   27 o  295.146   7.8117  235.455   11.826  238.063   20.250  234.105   14.569  296.243   12.650  294.049   9.1689 2.193878 15.62348 
1 1 1    1   19   28 o  426.161   8.1363  493.575   17.779  488.739   30.306  496.113   21.954  424.327   13.217  427.996   9.4926 -3.669891 16.27268 
1 1 1    1   19   29 o  652.268   12.125  1154.29   42.736   0.0000   0.0000  1154.29   42.736  ?   ?   652.268   12.125      ?      ? 
1 1 1    1   19   30 o  152.122   12.377   64.131   8.9964   60.923   17.169   65.346   10.563  149.111   21.308  155.134   12.600 -6.022690 24.75482 
1 1 1    1   19   31 o  345.203   9.1164  324.881   16.915  313.288   24.989  334.685   22.979  339.381   13.626  351.024   12.115 -11.64365 18.23281 
1 1 1    1   19   32 o  595.031   11.479  957.386   36.709  875.225   48.919  1063.29   55.539  566.195   15.989  623.868   16.475 -57.67303 22.95788 
1 1 1    1   19   33 o  321.521   8.9307  283.602   15.387  254.054   22.421  309.910   21.155  305.380   13.587  337.662   11.594 -32.28116 17.86145 
1 1 1    1   19   34 o  349.301   7.5045  324.275   13.649  305.975   16.943  358.108   23.037  335.790   9.3377  362.812   11.751 -27.02200 15.00902 
1 1 1    1   19   35 o   53.541   14.909   4.7631   6.2953   3.3630   9.8592   5.7268   8.1799   53.430   21.743   53.653   20.405 -0.2224159 29.81825 
1 1 1    1   19   36 o  422.930   6.7032  486.219   15.312  480.197   21.914  491.963   21.404  420.327   9.6480  425.533   9.3086 -5.205688 13.40648 
1 1 1    1   19   37 o  461.048   6.9265  578.189   17.250  563.027   24.491  593.115   24.300  454.998   9.9610  467.098   9.6274 -12.09991 13.85308 
1 1 1    1   19   38 o  190.867   7.1910   99.388   7.3651   97.586   11.031  100.837   9.8931  189.209   10.789  192.525   9.5095 -3.315384 14.38202 
1 1 1    1   19   39 o  348.783   8.5199  330.788   16.058   0.0000   0.0000  330.788   16.058  ?   ?   348.783   8.5199      ?      ? 
1 1 1    1   19   40 o  348.413   6.3088  330.712   11.855  326.528   17.241  334.464   16.328  346.233   9.2155  350.593   8.6185 -4.360077 12.61757 
1 1 1    1   19   41 o  303.040   8.3746  249.910   13.714   0.0000   0.0000  249.910   13.714  ?   ?   303.040   8.3746      ?      ? 
1 1 1    1   19   42 o  254.639   6.4079  177.790   8.7690  164.467   12.756  189.727   12.075  245.394   9.6197  263.885   8.4679 -18.49081 12.81573 
1 1 1    1   19   43 o  198.224   6.9240  106.424   7.2877  113.346   11.573  101.876   9.3815  203.312   10.534  193.136   8.9892 10.17543 13.84808 
1 1 1    1   19   44 o   88.364   12.888   24.125   5.8957   15.887   9.3334   29.594   7.6051   73.441   21.880  103.288   13.626 -29.84752 25.77612 
1 1 1    1   19   45 o  167.445   7.7217   77.648   6.8594   74.611   10.649   79.802   8.9679  164.309   11.993  170.581   9.7291 -6.272568 15.44331 
1 1 1    1   19   46 o  172.256   7.5554   81.156   6.9353   85.863   10.864   77.918   9.0103  176.190   11.410  168.322   9.9063 7.868698 15.11073 
1 1 1    1   19   47 o  156.298   7.9837   67.297   6.6372   69.551   10.412   65.755   8.6145  158.182   12.181  154.414   10.324 3.767975 15.96747 
1 1 1    1   19   48 f  153.225   8.1658   66.418   6.5496   60.099   10.346   70.643   8.4607  146.423   13.076  160.027   9.7842 -13.60365 16.33164 
1 1 1    1   19   49 o   41.575   13.434 -10.0681   7.7497   2.2116   9.4277 -35.6531   13.608   49.000   20.706   34.151   17.122 14.84937 26.86807 
1 1 1    1   19   50 o   66.144   18.059   11.150   9.3944   15.570   12.611   5.6396   14.082   71.902   25.678   60.386   25.400 11.51542 36.11821 
1 1 1    1   19   51 o  275.818   9.4999  214.197   14.099  197.658   18.908  234.910   21.159  264.100   13.249  287.536   13.618 -23.43579 18.99981 
1 1 1    1   19   52 o  189.397   11.111  103.618   11.345   97.140   15.422  111.261   16.750  183.076   15.589  195.719   15.837 -12.64275 22.22231 
1 1 1    1   19   53 o   46.230   14.045   1.2155   6.1544   3.5010   9.9541  -0.1988   7.8305   50.777   21.357   41.684   18.247 9.093204 28.09000 
1 1 1    1   19   54 o   79.503   15.054   23.380   7.2833   6.0586   15.002   28.721   8.3310   60.029   25.767   98.978   15.576 -38.94910 30.10880 
1 1 1    1   19   55 o  108.571   15.755   42.415   7.7599   30.586   15.744   46.210   8.9184   90.470   28.691  126.671   13.029 -36.20120 31.51092 
1 1 1    1   19   56 o   96.370   14.854   30.689   7.5318   35.247   10.844   26.441   10.469  104.360   19.957   88.381   22.006 15.97916 29.70737 
1 1 1    1   19   57 o  161.605   11.850   74.592   10.348   0.0000   0.0000   74.592   10.348  ?   ?   161.605   11.850      ?      ? 
1 1 1    1   19   58 o   60.652   14.622   8.4641   6.8217   24.092   10.501  -2.9478   8.9731   81.715   22.875   39.589   18.218 42.12574 29.24326 
1 1 1    1   19   59 o   63.413   15.852   13.828   6.8865   19.915   10.495   9.2256   9.1257   72.504   23.471   54.322   21.312 18.18202 31.70359 
1 1 1    1   19   60 o   51.105   14.934   6.3109   6.7939   12.386   10.390   1.7732   8.9797   58.732   22.824   43.477   19.265 15.25461 29.86775 
1 1 1    1   20    0 o  279.781   6.3596  211.583   9.6148   0.0000   0.0000  211.583   9.6148  ?   ?   279.781   6.3596      ?      ? 
1 1 1    1   20    1 o  252.266   7.5289  172.045   10.263   0.0000   0.0000  172.045   10.263  ?   ?   252.266   7.5289      ?      ? 
1 1 1    1   20    2 o  299.516   10.297  242.658   16.665   0.0000   0.0000  242.658   16.665  ?   ?   299.516   10.297      ?      ? 
1 1 1    1   20    3 o  422.758   10.212  483.434   23.330   0.0000   0.0000  483.434   23.330  ?   ?   422.758   10.212      ?      ? 
1 1 1    1   20    4 o  418.644   6.7113  473.768   15.182   0.0000   0.0000  473.768   15.182  ?   ?   418.644   6.7113      ?      ? 
1 1 1    1   20    5 o  722.198   9.3275  1410.59   36.401   0.0000   0.0000  1410.59   36.401  ?   ?   722.198   9.3275      ?      ? 
1 1 1    1   20    6 o  755.680   11.747  1532.63   44.661  1589.41   79.923  1506.85   53.853  765.330   19.326  746.029   13.359 19.30042 23.49341 
1 1 1    1   20    7 o  416.194   7.7965  468.677   16.516  468.694   28.656  468.669   20.210  416.099   12.745  416.290   8.9841 -0.1911621 15.59297 
1 1 1    1   20   10 o  397.434   6.8020  427.188   14.604  414.019   20.531  440.677   20.778  391.231   9.7116  403.638   9.5264 -12.40762 13.60396 
1 1 1    1   20   11 o  1000.14   12.375  2711.50   66.866  2669.79   93.344  2755.46   95.831  992.263   17.409  1008.02   17.593 -15.75562 24.75065 
1 1 1    1   20   12 o  1271.62   21.790  4393.54  149.727   0.0000   0.0000  4393.54  149.727  ?   ?   1271.62   21.790      ?      ? 
1 1 1    1   20   13 o  806.537   10.251  1760.40   44.650  1716.85   61.859  1807.77   64.515  796.149   14.379  816.925   14.615 -20.77631 20.50216 
1 1 1    1   20   15 o  316.984   7.4034  272.302   12.533  220.300   17.364  328.858   18.109  285.305   11.263  348.663   9.6116 -63.35858 14.80684 
1 1 1    1   20   16 o  645.996   8.6458  1129.58   30.176  1116.09   42.247  1143.64   43.118  642.063   12.177  649.929   12.277 -7.865967 17.29169 
1 1 1    1   20   18 o  421.892   7.0023  481.607   15.961  478.865   22.724  484.277   22.425  420.701   9.9957  423.083   9.8089 -2.381195 14.00462 
1 1 1    1   20   20 o  324.749   9.9275  285.430   17.421  285.430   17.421   0.0000   0.0000  324.749   9.9275  ?   ?       ?      ? 
1 1 1    1   20   21 o  407.505   9.6684  449.430   21.290   0.0000   0.0000  449.430   21.290  ?   ?   407.505   9.6684      ?      ? 
1 1 1    1   20   24 o  575.058   7.9880  894.538   24.797  859.391   34.141  933.780   36.075  563.137   11.219  586.979   11.374 -23.84241 15.97603 
1 1 1    1   20   25 o  541.413   15.325  796.847   44.836   0.0000   0.0000  796.847   44.836  ?   ?   541.413   15.325      ?      ? 
1 1 1    1   20   26 o  342.750   7.8148  321.501   13.836  307.883   23.011  329.212   17.315  336.835   12.642  348.665   9.1903 -11.82959 15.62967 
1 1 1    1   20   27 f   41.435   19.080  -7.5199   9.8650   0.0000   0.0000  -7.5199   9.8650  ?   ?    41.435   19.080      ?      ? 
1 1 1    1   20   28 o  420.931   9.7983  482.215   22.240  444.820   31.362  520.045   31.543  404.403   14.352  437.460   13.344 -33.05719 19.59660 
1 1 1    1   20   29 o  151.659   15.594   67.304   11.535   54.437   19.161   74.617   14.445  137.938   26.672  165.380   16.164 -27.44211 31.18764 
1 1 1    1   20   30 o  511.863   10.562  714.075   29.191  676.126   40.811  753.829   41.771  497.872   15.170  525.855   14.700 -27.98257 21.12372 
1 1 1    1   20   31 o  280.339   7.8303  203.375   11.417  178.988   14.033  251.126   19.636  256.790   10.113  303.888   11.958 -47.09818 15.66058 
1 1 1    1   20   32 o  412.316   6.6771  461.427   14.874  451.518   21.026  471.353   21.044  407.866   9.5402  416.767   9.3445 -8.901093 13.35420 
1 1 1    1   20   33 o  265.053   6.6248  191.285   9.4613  181.942   13.686  199.837   13.094  258.777   9.7873  271.330   8.9308 -12.55389 13.24954 
1 1 1    1   20   34 o  234.921   6.9527  150.278   8.7925  146.982   12.931  153.113   11.991  232.452   10.295  237.390   9.3476 -4.938751 13.90546 
1 1 1    1   20   35 o  272.846   6.6047  202.951   9.6987  183.528   13.792  221.951   13.641  259.808   9.8241  285.885   8.8303 -26.07794 13.20934 
1 1 1    1   20   36 o  131.771   9.8081   48.122   6.9017   42.170   10.114   53.308   9.4414  123.886   15.109  139.656   12.511 -15.76982 19.61629 
1 1 1    1   20   37 o  145.304   8.9854   58.804   6.9310   50.392   10.299   65.767   9.3706  135.421   14.074  155.188   11.174 -19.76756 17.97075 
1 1 1    1   20   38 o  257.583   6.4151  181.170   8.8899  174.333   13.052  187.087   12.142  252.930   9.5498  262.237   8.5684 -9.307114 12.83027 
1 1 1    1   20   39 o   44.700   13.672  -0.8542   6.1561  -4.8777   9.4699   2.0905   8.1015   42.256   19.165   47.145   19.504 -4.888489 27.34427 
1 1 1    1   20   40 o   90.655   13.191   22.797   6.3528   32.036   9.7654   16.018   8.3648  107.211   16.856   74.099   20.294 33.11233 26.38127 
1 1 1    1   20   41 o   85.581   13.633   22.022   6.2414   16.213   9.7454   26.061   8.1267   74.447   22.398   96.715   15.550 -22.26802 27.26696 
1 1 1    1   20   42 o  106.755   12.287   36.681   6.2641   16.850   9.4254   52.370   8.3834   75.497   21.853  138.013   11.241 -62.51527 24.57446 
1 1 1    1   20   43 o  185.320   7.2890   93.812   7.2320   97.584   11.091   91.022   9.5388  188.374   10.896  182.266   9.6851 6.108063 14.57808 
1 1 1    1   20   44 o  155.744   8.3774   69.741   6.7503   54.704   10.404   80.672   8.8709  140.037   13.749  171.451   9.5750 -31.41400 16.75481 
1 1 1    1   20   45 o  132.223   9.1680   48.691   6.3846   48.825   10.233   48.607   8.1700  131.917   14.355  132.528   11.408 -0.6117401 18.33609 
1 1 1    1   20   46 o   49.268   14.004   2.5193   5.7885   8.7896   9.2315  -1.5435   7.4309   58.885   21.827   39.651   17.549 19.23407 28.00733 
1 1 1    1   20   47 o   66.110   17.604   10.087   7.9844   7.1582   9.5247   17.009   14.644   56.358   21.867   75.863   27.594 -19.50531 35.20792 
1 1 1    1   20   48 o   88.329   18.272   24.468   9.4655   17.392   12.700   33.311   14.197   75.211   25.851  101.447   25.830 -26.23515 36.54382 
1 1 1    1   20   49 o   75.576   18.734   17.889   9.4280   18.052   12.655   17.687   14.134   75.656   25.809   75.495   27.160 0.1614380 37.46737 
1 1 1    1   20   50 o  228.639   10.214  150.148   12.565  156.171   17.245  143.333   18.344  234.255   13.623  223.022   15.222 11.23280 20.42798 
1 1 1    1   20   51 f  320.662   7.7959  284.733   12.341  295.721   22.760  280.157   14.687  322.747   13.050  318.576   8.5318 4.171753 15.59183 
1 1 1    1   20   52 o  172.676   7.9428   83.703   7.2738   84.509   11.444   83.156   9.4221  172.727   12.261  172.624   10.101 0.1033783 15.88554 
1 1 1    1   20   53 o  180.174   7.8537   90.258   7.4789   97.520   12.066   85.727   9.5304  185.316   12.049  175.032   10.076 10.28384 15.70737 
1 1 1    1   20   54 o  153.316   9.4112   70.000   7.5183   58.354   11.583   78.480   9.8833  140.324   15.275  166.308   10.998 -25.98407 18.82234 
1 1 1    1   20   55 o  164.601   11.728   84.300   8.7837   76.013   17.337   87.161   10.188  153.916   20.845  175.287   10.756 -21.37068 23.45661 
1 1 1    1   20   56 o  117.602   12.834   44.961   7.3546   26.901   10.703   61.119   10.124   89.641   22.209  145.562   12.871 -55.92176 25.66899 
1 1 1    1   20   57 o  186.747   8.9486  102.682   8.9449   98.704   11.786  108.086   13.737  183.476   11.888  190.018   13.379 -6.542145 17.89722 
1 1 1    1   20   58 o   44.041   13.921   0.7281   6.7460   0.6458   10.145   0.7933   9.0324   44.897   20.146   43.185   19.219 1.711952 27.84258 
1 1 1    1   20   59 o   87.545   13.769   28.673   7.1046   12.466   10.404   42.833   9.7249   58.476   22.808  116.615   15.433 -58.13804 27.53882 
1 1 1    1   21    0 o  329.162   8.9306  293.013   15.885   0.0000   0.0000  293.013   15.885  ?   ?   329.162   8.9306      ?      ? 
1 1 1    1   21    1 o  144.695   10.267   56.638   8.0276   0.0000   0.0000   56.638   8.0276  ?   ?   144.695   10.267      ?      ? 
1 1 1    1   21    2 o   89.124   26.376   21.946   13.597   0.0000   0.0000   21.946   13.597  ?   ?    89.124   26.376      ?      ? 
1 1 1    1   21    3 o  401.943   10.698  437.098   23.236   0.0000   0.0000  437.098   23.236  ?   ?   401.943   10.698      ?      ? 
1 1 1    1   21    4 o  695.573   13.201  1309.92   49.620   0.0000   0.0000  1309.92   49.620  ?   ?   695.573   13.201      ?      ? 
1 1 1    1   21    5 o  694.753   13.199  1306.86   49.553   0.0000   0.0000  1306.86   49.553  ?   ?   694.753   13.199      ?      ? 
1 1 1    1   21    6 o  322.826   10.638  281.964   18.558   0.0000   0.0000  281.964   18.558  ?   ?   322.826   10.638      ?      ? 
1 1 1    1   21    7 o  508.602   8.3734  696.175   19.987  708.108   39.957  692.193   23.082  511.273   14.463  505.930   8.4429 5.342468 16.74680 
1 1 1    1   21    8 o  307.099   7.2898  256.704   10.734  251.802   20.574  258.538   12.581  304.974   12.485  309.224   7.5296 -4.250214 14.57952 
1 1 1    1   21   10 f  564.559   7.9676  862.511   24.305  852.169   34.114  873.171   34.636  561.124   11.251  567.994   11.285 -6.869629 15.93526 
1 1 1    1   21   14 o  321.718   9.7098  280.024   16.880   0.0000   0.0000  280.024   16.880  ?   ?   321.718   9.7098      ?      ? 
1 1 1    1   21   15 o  847.575   15.153  1947.93   69.399   0.0000   0.0000  1947.93   69.399  ?   ?   847.575   15.153      ?      ? 
1 1 1    1   21   16 o  658.318   8.8066  1173.85   31.325  1154.45   43.978  1193.83   44.630  652.795   12.467  663.841   12.442 -11.04614 17.61320 
1 1 1    1   21   17 f  127.932   12.648   45.442   8.2119   31.155   11.277   61.573   11.982  105.198   20.575  150.666   14.717 -45.46729 25.29670 
1 1 1    1   21   18 o  487.412   7.3686  642.585   19.399  622.721   26.971  663.873   27.922  479.616   10.407  495.207   10.435 -15.59140 14.73712 
1 1 1    1   21   19 o  269.240   7.1586  196.161   10.403  197.674   15.111  194.798   14.342  270.215   10.349  268.265   9.8938 1.949707 14.31730 
1 1 1    1   21   20 f  243.447   10.640  160.511   13.997  160.511   13.997   0.0000   0.0000  243.447   10.640  ?   ?       ?      ? 
1 1 1    1   21   21 o  688.740   9.0895  1285.27   33.806  1245.88   46.768  1328.37   48.921  677.721   12.771  699.760   12.938 -22.03961 18.17903 
1 1 1    1   21   22 o  238.903   7.4166  154.781   9.5660  148.720   13.612  160.695   13.446  234.261   10.753  243.545   10.217 -9.284164 14.83313 
1 1 1    1   21   24 o  226.072   11.592  125.926   13.460  198.649   23.452   90.203   16.437  270.154   16.065  181.990   16.714 88.16438 23.18319 
1 1 1    1   21   25 o  244.442   11.690  160.523   15.258  177.342   23.880  148.919   19.836  255.008   17.330  233.876   15.695 21.13260 23.38076 
1 1 1    1   21   26 o  288.548   13.263  226.351   20.680   0.0000   0.0000  226.351   20.680  ?   ?   288.548   13.263      ?      ? 
1 1 1    1   21   27 o   89.259   19.018   22.514   11.430  -0.1379   19.098   35.158   14.268   67.829   29.092  110.689   24.502 -42.85972 38.03569 
1 1 1    1   21   28 o  308.022   12.653  258.108   21.061   0.0000   0.0000  258.108   21.061  ?   ?   308.022   12.653      ?      ? 
1 1 1    1   21   29 o  349.104   9.3379  330.624   17.615   0.0000   0.0000  330.624   17.615  ?   ?   349.104   9.3379      ?      ? 
1 1 1    1   21   30 o  177.685   8.4877   86.733   8.0722   77.570   11.823   94.734   11.048  168.703   12.969  186.668   10.953 -17.96469 16.97542 
1 1 1    1   21   31 o  358.627   6.6598  349.381   12.878  319.660   18.029  380.343   18.401  342.990   9.7275  374.264   9.0988 -31.27472 13.31962 
1 1 1    1   21   32 o  217.835   7.2070  129.578   8.4396  122.903   12.384  135.367   11.532  212.489   10.786  223.181   9.5622 -10.69148 14.41407 
1 1 1    1   21   33 o  299.883   6.4170  243.228   10.358  255.817   15.487  233.042   13.931  306.824   9.3411  292.942   8.8009 13.88251 12.83401 
1 1 1    1   21   34 o  200.213   7.4233  109.319   7.9966  107.743   11.824  110.648   10.856  198.801   11.007  201.625   9.9639 -2.824692 14.84669 
1 1 1    1   21   35 o  240.236   6.8345  157.094   8.8360  158.092   13.120  156.265   11.953  240.851   10.081  239.622   9.2316 1.228973 13.66907 
1 1 1    1   21   36 o  144.571   9.1881   58.788   6.9944   47.322   10.380   68.324   9.4662  131.028   14.661  158.113   11.079 -27.08533 18.37623 
1 1 1    1   21   37 o  278.149   6.5252  211.260   9.7766  204.052   14.256  217.660   13.433  273.553   9.6445  282.746   8.7919 -9.192932 13.05041 
1 1 1    1   21   38 o  126.218   10.573   45.671   6.9394   35.083   10.448   54.028   9.2826  112.160   17.239  140.276   12.246 -28.11581 21.14589 
1 1 1    1   21   39 o  123.475   10.064   42.490   6.6334   40.400   10.047   44.106   8.8321  120.498   15.430  126.451   12.926 -5.952812 20.12857 
1 1 1    1   21   40 o  180.940   7.7278   90.190   7.5128   86.855   11.111   92.999   10.197  177.672   11.573  184.208   10.245 -6.536270 15.45566 
1 1 1    1   21   41 o  203.397   7.0425  114.311   7.6702  104.252   11.301  122.901   10.444  194.799   10.736  211.995   9.1170 -17.19662 14.08507 
1 1 1    1   21   42 o  129.570   9.7254   47.345   6.7128   41.690   9.9451   52.078   9.0979  121.978   15.088  137.162   12.275 -15.18428 19.45080 
1 1 1    1   21   43 o  132.252   9.6165   50.389   6.6186   41.315   10.222   56.940   8.6849  120.976   15.637  143.529   11.198 -22.55351 19.23291 
1 1 1    1   21   44 o   60.449   15.053   9.3032   6.0515   13.332   9.6430   6.6857   7.7726   67.681   22.530   53.217   19.969 14.46397 30.10531 
1 1 1    1   21   45 o  134.411   13.298   55.183   8.7322   60.588   10.965   45.811   14.438  146.712   13.831  122.111   22.717 24.60130 26.59631 
1 1 1    1   21   46 o   97.852   17.930   29.386   9.5734   22.000   12.393   40.315   15.076   83.243   25.306  112.461   25.407 -29.21880 35.85955 
1 1 1    1   21   47 f  110.145   17.297   39.364   10.054   45.360   13.700   32.365   14.801  121.369   21.684   98.920   26.955 22.44952 34.59455 
1 1 1    1   21   48 o   54.893   16.421  -3.9670   9.1026 -16.3671   11.691   15.122   14.505   37.949   18.393   71.837   27.208 -33.88843 32.84141 
1 1 1    1   21   49 o   52.716   15.370   4.3007   6.5664   7.8671   12.013   2.7811   7.8415   59.558   24.086   45.875   19.100 13.68261 30.74053 
1 1 1    1   21   50 o  141.256   9.4318   56.959   6.9929   55.892   11.224   57.636   8.9400  139.280   14.914  143.231   11.551 -3.951538 18.86357 
1 1 1    1   21   51 o   39.182   12.702  -4.3327   6.1842  -9.9827   9.8978  -0.7147   7.9205   37.340   17.787   41.024   18.139 -3.684746 25.40484 
1 1 1    1   21   52 o  162.603   8.6653   76.700   7.3871   67.934   11.503   82.854   9.6372  153.370   13.879  171.836   10.379 -18.46619 17.33068 
1 1 1    1   21   53 o  108.115   12.611   36.746   7.0122   33.559   10.771   39.091   9.2381  101.450   20.356  114.780   14.895 -13.32976 25.22291 
1 1 1    1   21   54 o  101.179   13.369   32.587   7.0038   29.374   10.734   34.968   9.2421   94.122   21.568  108.235   15.802 -14.11278 26.73717 
1 1 1    1   21   55 o   94.821   14.273   28.020   7.2417   39.101   11.196   20.049   9.4956  112.465   18.422   77.177   21.806 35.28794 28.54579 
1 1 1    1   21   56 o   97.004   16.386   40.193   8.5796   25.766   16.894   45.207   9.9594   73.695   28.971  120.313   15.319 -46.61786 32.77175 
1 1 1    1   21   57 f   44.711   14.249  -1.0197   7.3765  -6.0734   10.068   4.8378   10.839   38.986   18.383   50.436   21.777 -11.44974 28.49827 
1 1 1    1   21   58 o   97.175   14.153   32.810   7.1539   40.133   10.910   27.287   9.4752  107.396   19.519   86.955   20.500 20.44047 28.30612 
1 1 1    1   22    0 o  517.913   11.581  726.052   32.410   0.0000   0.0000  726.052   32.410  ?   ?   517.913   11.581      ?      ? 
1 1 1    1   22    1 o  301.280   11.823  245.714   19.249   0.0000   0.0000  245.714   19.249  ?   ?   301.280   11.823      ?      ? 
1 1 1    1   22    2 o  551.338   8.0140  822.006   23.876   0.0000   0.0000  822.006   23.876  ?   ?   551.338   8.0140      ?      ? 
1 1 1    1   22    3 o  498.402   11.534  672.368   31.063   0.0000   0.0000  672.368   31.063  ?   ?   498.402   11.534      ?      ? 
1 1 1    1   22    4 o  467.384   10.685  591.133   26.986   0.0000   0.0000  591.133   26.986  ?   ?   467.384   10.685      ?      ? 
1 1 1    1   22    5 o  441.496   10.685  527.468   25.490   0.0000   0.0000  527.468   25.490  ?   ?   441.496   10.685      ?      ? 
1 1 1    1   22    6 o  437.848   9.9387  518.686   23.515   0.0000   0.0000  518.686   23.515  ?   ?   437.848   9.9387      ?      ? 
1 1 1    1   22    7 o  406.294   7.6963  445.992   14.980  448.423   28.930  445.101   17.511  406.891   13.158  405.697   7.9875 1.193176 15.39259 
1 1 1    1   22    8 o  436.432   8.3043  508.640   18.238  534.910   32.736  496.815   21.963  444.336   13.634  428.527   9.4846 15.80942 16.60862 
1 1 1    1   22    9 o  406.838   13.152  448.423   28.913  448.423   28.913   0.0000   0.0000  406.838   13.152  ?   ?       ?      ? 
1 1 1    1   22   10 o  380.609   9.8651  392.036   20.289  392.036   20.289   0.0000   0.0000  380.609   9.8651  ?   ?       ?      ? 
1 1 1    1   22   11 o  384.771   7.0186  400.754   14.590  397.270   20.777  404.143   20.493  383.113   10.036  386.428   9.8141 -3.315186 14.03714 
1 1 1    1   22   13 o  497.879   10.587  671.097   28.482   0.0000   0.0000  671.097   28.482  ?   ?   497.879   10.587      ?      ? 
1 1 1    1   22   14 o  474.519   7.3171  608.263   18.741  581.747   25.772  638.018   27.301  463.573   10.288  485.465   10.407 -21.89197 14.63427 
1 1 1    1   22   16 o  420.828   7.1437  477.762   16.206  504.339   23.957  455.343   22.003  431.562   10.273  410.094   9.9293 21.46793 14.28741 
1 1 1    1   22   17 o  651.067   12.342  1149.46   43.420   0.0000   0.0000  1149.46   43.420  ?   ?   651.067   12.342      ?      ? 
1 1 1    1   22   18 o  180.098   9.1320   87.970   8.8416   76.452   12.277  100.380   12.744  167.819   13.538  192.377   12.259 -24.55820 18.26404 
1 1 1    1   22   20 o  421.910   15.158  484.009   34.558  484.009   34.558   0.0000   0.0000  421.910   15.158  ?   ?       ?      ? 
1 1 1    1   22   21 o  273.893   11.095  207.199   16.167  172.973   23.523  237.838   22.256  251.926   17.279  295.859   13.921 -43.93288 22.18952 
1 1 1    1   22   22 o  233.020   12.013  145.790   14.961  163.108   23.342  133.716   19.491  244.499   17.668  221.540   16.281 22.95946 24.02563 
1 1 1    1   22   23 f  310.538   15.765  262.838   26.455  262.838   26.455   0.0000   0.0000  310.538   15.765  ?   ?       ?      ? 
1 1 1    1   22   24 o  388.595   10.608  412.378   22.140  356.757   31.002  470.270   31.628  361.600   15.866  415.591   14.084 -53.99057 21.21544 
1 1 1    1   22   25 o  242.207   8.2610  156.253   10.624  176.081   17.018  143.591   13.600  254.462   12.377  229.951   10.945 24.51086 16.52192 
1 1 1    1   22   27 o  118.124   13.126   40.525   7.7486   25.345   11.034   55.295   10.884   93.896   22.112  142.353   14.149 -48.45668 26.25163 
1 1 1    1   22   28 o  324.302   9.3288  285.544   16.348   0.0000   0.0000  285.544   16.348  ?   ?   324.302   9.3288      ?      ? 
1 1 1    1   22   29 o  258.557   6.9369  182.099   9.6708  171.226   13.826  192.514   13.532  250.922   10.197  266.192   9.4075 -15.26973 13.87374 
1 1 1    1   22   30 o  152.572   9.4303   64.313   7.6562   58.840   11.587   68.554   10.200  146.571   14.629  158.572   11.904 -12.00055 18.86058 
1 1 1    1   22   31 o   96.709   14.138   26.633   7.1048   28.899   10.756   24.880   9.4629  100.283   20.540   93.135   19.431 7.148499 28.27514 
1 1 1    1   22   32 o  178.727   8.1585   87.991   7.8016   79.246   11.481   95.493   10.634  170.246   12.479  187.207   10.512 -16.96057 16.31697 
1 1 1    1   22   33 o   55.321   14.356   3.8994   6.5877  -6.9450   9.5291   13.827   9.1172   40.579   18.710   70.063   21.779 -29.48347 28.71187 
1 1 1    1   22   34 o  223.091   7.1500  134.345   8.5705  155.286   12.848  117.555   11.504  238.622   9.9639  207.560   10.257 31.06224 14.29993 
1 1 1    1   22   35 o  197.277   10.483  106.304   11.175   0.0000   0.0000  106.304   11.175  ?   ?   197.277   10.483      ?      ? 
1 1 1    1   22   36 o  212.689   7.3396  123.894   8.3905  121.084   12.445  126.235   11.361  210.336   10.950  215.043   9.7766 -4.706573 14.67923 
1 1 1    1   22   37 o  187.618   10.218   96.341   10.360   0.0000   0.0000   96.341   10.360  ?   ?   187.618   10.218      ?      ? 
1 1 1    1   22   38 o   54.953   14.813   5.4577   6.5718  -1.7898   9.9390   11.088   8.7601   46.324   20.409   63.582   21.475 -17.25812 29.62604 
1 1 1    1   22   39 o  226.969   6.9186  141.667   8.4361  135.036   12.441  147.311   11.478  221.838   10.379  232.099   9.1515 -10.26056 13.83725 
1 1 1    1   22   40 o  206.231   7.3117  117.369   8.1028  110.833   11.891  123.034   11.071  200.633   10.968  211.829   9.6720 -11.19629 14.62343 
1 1 1    1   22   41 o  156.750   8.5484   66.967   7.1299   74.720   11.319   61.867   9.1800  163.905   12.780  149.594   11.356 14.31107 17.09671 
1 1 1    1   22   42 o  183.967   10.052   93.482   9.4446   90.516   11.531   99.527   16.462  180.655   11.812  187.279   16.267 -6.623856 20.10309 
1 1 1    1   22   43 o   55.331   16.745   2.3836   8.9012   3.7680   11.897   0.6230   13.416   55.705   23.385   54.958   23.975 0.7472878 33.49058 
1 1 1    1   22   44 o  257.067   9.6215  185.769   13.341  183.266   18.274  188.626   19.521  255.488   13.237  258.646   13.967 -3.157410 19.24298 
1 1 1    1   22   45 o  176.759   11.424   90.618   10.686  110.811   15.143   70.586   15.083  197.795   14.168  155.723   17.924 42.07184 22.84713 
1 1 1    1   22   46 o  104.840   17.210   34.885   9.5814   28.536   12.873   42.770   14.347   93.596   24.985  116.084   23.674 -22.48842 34.41956 
1 1 1    1   22   47 o   99.480   13.219   33.965   6.6424   15.131   10.357   47.124   8.6572   69.712   23.351  129.249   12.395 -59.53723 26.43721 
1 1 1    1   22   48 o   97.596   13.379   28.756   6.7181   31.890   10.521   26.599   8.7294  101.545   19.886   93.647   17.903 7.897720 26.75751 
1 1 1    1   22   49 o  234.523   7.1414  155.352   8.9032  138.818   13.375  168.508   11.930  222.390   11.130  246.656   8.9511 -24.26584 14.28273 
1 1 1    1   22   50 o   74.302   13.847   18.143   6.5863   4.6387   9.9600   28.636   8.7801   51.737   21.533   96.866   17.414 -45.12964 27.69309 
1 1 1    1   22   51 o  181.010   8.1287   94.284   7.7845   85.542   11.924  100.777   10.276  172.551   12.789  189.468   10.037 -16.91725 16.25740 
1 1 1    1   22   52 o  125.016   10.815   45.840   7.1709   59.322   10.836   35.335   9.5651  141.976   14.124  108.056   16.382 33.91977 21.62956 
1 1 1    1   22   53 o  115.174   13.139   44.201   7.3393   25.657   10.950   59.325   9.8892   86.868   22.975  143.480   12.755 -56.61166 26.27841 
1 1 1    1   22   54 o   50.751   14.986   5.3260   6.8463   4.1400   10.413   6.2290   9.0863   50.260   21.517   51.242   20.866 -0.9820824 29.97273 
1 1 1    1   22   55 o   55.885   14.494   9.4833   6.6911  -1.3162   10.100   17.931   8.9327   42.220   19.391   69.549   21.547 -27.32823 28.98764 
1 1 1    1   22   56 o   71.380   18.273   18.215   8.1014   26.644   16.535   15.552   9.2934   77.174   29.092   65.586   22.119 11.58841 36.54558 
1 1 1    1   22   57 o   81.590   15.488   30.245   8.3539   11.401   16.865   36.371   9.6166   57.841   25.963  105.339   16.894 -47.49823 30.97545 
1 1 1    1   23    0 o  159.897   10.579   69.219   9.1404   0.0000   0.0000   69.219   9.1404  ?   ?   159.897   10.579      ?      ? 
1 1 1    1   23    1 o  695.668   9.2999  1309.62   34.960   0.0000   0.0000  1309.62   34.960  ?   ?   695.668   9.2999      ?      ? 
1 1 1    1   23    2 o  275.035   9.3898  204.706   13.955   0.0000   0.0000  204.706   13.955  ?   ?   275.035   9.3898      ?      ? 
1 1 1    1   23    3 o  124.991   12.577   42.331   8.4947   0.0000   0.0000   42.331   8.4947  ?   ?   124.991   12.577      ?      ? 
1 1 1    1   23    4 o  250.399   7.8593  169.593   10.634   0.0000   0.0000  169.593   10.634  ?   ?   250.399   7.8593      ?      ? 
1 1 1    1   23    5 o  563.260   8.0861  858.201   24.611   0.0000   0.0000  858.201   24.611  ?   ?   563.260   8.0861      ?      ? 
1 1 1    1   23    6 o  234.677   7.9693  148.970   10.106   0.0000   0.0000  148.970   10.106  ?   ?   234.677   7.9693      ?      ? 
1 1 1    1   23    7 o  279.913   7.4492  211.908   11.267   0.0000   0.0000  211.908   11.267  ?   ?   279.913   7.4492      ?      ? 
1 1 1    1   23    8 o  261.643   7.6340  185.362   9.8367  185.383   18.130  185.353   11.710  261.535   12.828  261.751   8.2791 -0.2161865 15.26804 
1 1 1    1   23    9 o  514.289   8.9984  718.037   23.581  713.513   40.750  720.315   28.914  512.794   14.706  515.785   10.374 -2.991882 17.99681 
1 1 1    1   23   11 o  257.489   7.4521  179.365   10.361  170.177   14.391  189.251   14.928  250.647   10.626  264.331   10.451 -13.68468 14.90421 
1 1 1    1   23   13 o  537.021   11.044  781.632   32.048   0.0000   0.0000  781.632   32.048  ?   ?   537.021   11.044      ?      ? 
1 1 1    1   23   15 o  243.516   11.422  172.658   12.929  138.559   24.529  185.777   15.214  225.222   20.155  261.811   10.754 -36.58835 22.84427 
1 1 1    1   23   16 o  133.044   20.403   49.808   14.171   59.482   21.698   42.613   18.712  144.287   28.837  121.800   28.871 22.48757 40.80621 
1 1 1    1   23   17 o  335.532   10.763  306.952   19.437  297.297   28.530  315.315   26.554  330.481   15.976  340.582   14.429 -10.10052 21.52687 
1 1 1    1   23   18 o   95.832   18.191   9.6446   13.240   58.649   20.952 -22.9279   17.082  143.253   28.071   48.411   23.145 94.84196 36.38216 
1 1 1    1   23   19 o  114.780   21.370   38.714   13.558   30.428   20.706   44.932   17.939  104.499   32.876  125.062   27.310 -20.56289 42.73953 
1 1 1    1   23   20 o  154.677   17.404   68.149   13.813   61.396   21.428   72.950   18.068  146.315   28.124  163.038   20.508 -16.72379 34.80720 
1 1 1    1   23   21 o  296.096   7.1366  237.260   11.398  218.322   15.724  258.227   16.545  283.657   10.259  308.536   9.9239 -24.87848 14.27319 
1 1 1    1   23   22 o  301.336   8.3650  246.185   13.089  244.547   16.360  249.099   21.817  300.193   10.086  302.479   13.348 -2.285156 16.72994 
1 1 1    1   23   23 o  148.369   10.542   60.059   8.4448   56.687   11.814   63.582   12.075  144.086   15.174  152.653   14.639 -8.567200 21.08429 
1 1 1    1   23   24 o  416.254   8.1563  477.873   17.776  442.568   28.345  500.760   22.822  403.029   13.015  429.479   9.8337 -26.45056 16.31258 
1 1 1    1   23   25 o  290.125   6.9545  229.176   10.876  214.253   15.544  243.489   15.223  280.785   10.245  299.465   9.4076 -18.68039 13.90904 
1 1 1    1   23   26 o   54.278   14.860  -0.2834   7.2801   13.341   10.662 -12.1848   9.9649   70.803   23.692   37.753   17.945 33.05049 29.72076 
1 1 1    1   23   27 o  161.983   9.1140   71.743   7.9654   73.994   11.082   69.335   11.457  164.673   12.454  159.294   13.311 5.379974 18.22803 
1 1 1    1   23   28 o  285.070   9.5200  220.872   14.665   0.0000   0.0000  220.872   14.665  ?   ?   285.070   9.5200      ?      ? 
1 1 1    1   23   29 o  473.514   10.155  610.325   25.982   0.0000   0.0000  610.325   25.982  ?   ?   473.514   10.155      ?      ? 
1 1 1    1   23   30 o  298.752   6.7394  243.109   10.868  238.553   15.644  247.359   15.110  295.986   9.7811  301.518   9.2740 -5.532135 13.47875 
1 1 1    1   23   31 o  155.475   9.0297   66.287   7.5818   69.148   10.758   63.465   10.687  158.850   12.533  152.101   13.002 6.748657 18.05949 
1 1 1    1   23   32 f  129.868   10.502   46.555   7.3582   46.137   10.680   46.932   10.152  129.232   15.294  130.505   14.396 -1.272354 21.00368 
1 1 1    1   23   33 o   85.048   13.989   21.099   6.8464   9.6831   9.7824   32.058   9.5850   62.645   22.589  107.450   16.508 -44.80524 27.97815 
1 1 1    1   23   34 o  141.161   9.6556   55.308   7.3102   50.993   10.731   59.046   9.9859  135.779   14.625  146.544   12.611 -10.76501 19.31122 
1 1 1    1   23   35 o  127.103   11.630   44.779   7.5284   62.769   11.451   31.084   9.9911  150.544   14.077  103.662   18.516 46.88175 23.25912 
1 1 1    1   23   36 o  124.152   12.540   46.939   7.5701   29.670   11.349   60.779   10.160   99.942   21.642  148.362   12.674 -48.42059 25.08003 
1 1 1    1   23   38 o  126.230   12.535   45.671   8.2718   43.058   13.257   47.337   10.585  122.410   20.042  130.050   15.063 -7.640274 25.07092 
1 1 1    1   23   39 o  136.748   27.610   58.784   19.700   0.0000   0.0000   58.784   19.700  ?   ?   136.748   27.610      ?      ? 
1 1 1    1   23   40 o  102.117   19.559   33.373   11.055   33.559   15.381   33.176   15.901  102.581   27.277  101.653   28.038 0.9273834 39.11730 
1 1 1    1   23   41 o  142.457   14.147   59.328   10.880   57.613   14.988   61.239   15.817  140.422   19.753  144.492   20.258 -4.070007 28.29432 
1 1 1    1   23   42 o  142.171   13.868   58.805   10.610   53.581   14.255   65.293   15.887  135.209   19.511  149.134   19.715 -13.92502 27.73694 
1 1 1    1   23   43 o   98.306   17.567   31.614   9.7951   42.590   13.515   19.471   14.216  117.656   22.069   78.957   27.338 38.69846 35.13400 
1 1 1    1   23   44 o  192.228   9.0861  105.618   8.7526   99.662   15.314  108.508   10.666  186.581   15.189  197.875   9.9756 -11.29396 18.17216 
1 1 1    1   23   45 o  122.347   10.649   42.284   6.9423   47.319   10.962   38.912   8.9708  127.931   15.857  116.763   14.218 11.16710 21.29752 
1 1 1    1   23   46 o  205.559   7.4271  116.835   8.1474  124.754   12.712  111.314   10.614  211.000   11.149  200.118   9.8155 10.88254 14.85417 
1 1 1    1   23   47 o   83.091   13.952   22.764   6.6073   11.947   10.288   30.358   8.6199   63.853   23.144  102.329   15.589 -38.47553 27.90434 
1 1 1    1   23   48 o   73.318   15.236   17.721   6.5630   13.646   10.224   20.578   8.5596   66.036   23.166   80.600   19.797 -14.56406 30.47217 
1 1 1    1   23   49 o  137.373   9.9370   54.378   7.2898   55.993   11.249   53.209   9.5715  138.469   15.034  136.277   12.998 2.192581 19.87401 
1 1 1    1   23   50 o  100.642   12.856   31.294   6.8124   36.578   10.211   27.056   9.1449  109.408   17.272   91.876   19.045 17.53243 25.71120 
1 1 1    1   23   51 o   52.706   14.743   5.9457   6.7974  -2.6243   10.601   11.929   8.8579   44.131   20.116   61.282   21.559 -17.15096 29.48665 
1 1 1    1   23   52 o   78.054   15.977   20.698   7.1358   19.566   10.339   21.728   9.8609   75.694   23.137   80.415   22.038 -4.721710 31.95321 
1 1 1    1   23   53 o   60.725   15.960   12.762   6.9200   15.791   10.723   10.601   9.0588   64.986   23.617   56.464   21.473 8.522839 31.91936 
1 1 1    1   23   54 o   77.003   15.212   21.816   7.2067   11.900   10.555   30.476   9.8635   59.270   23.013   94.737   19.900 -35.46733 30.42400 
1 1 1    1   23   55 o   98.616   13.787   34.029   7.1231   26.155   10.386   41.021   9.7878   83.374   22.522  113.859   15.908 -30.48515 27.57390 
1 1 1    1   24    0 o  505.864   10.276  693.245   28.090   0.0000   0.0000  693.245   28.090  ?   ?   505.864   10.276      ?      ? 
1 1 1    1   24    1 o  189.253   9.0352   96.971   9.2400   0.0000   0.0000   96.971   9.2400  ?   ?   189.253   9.0352      ?      ? 
1 1 1    1   24    2 o  331.074   7.8882  296.618   14.112   0.0000   0.0000  296.618   14.112  ?   ?   331.074   7.8882      ?      ? 
1 1 1    1   24    3 o  397.802   9.2282  428.493   19.837   0.0000   0.0000  428.493   19.837  ?   ?   397.802   9.2282      ?      ? 
1 1 1    1   24    4 o  508.366   11.555  700.672   31.743   0.0000   0.0000  700.672   31.743  ?   ?   508.366   11.555      ?      ? 
1 1 1    1   24    5 o  310.569   7.1716  260.951   12.035   0.0000   0.0000  260.951   12.035  ?   ?   310.569   7.1716      ?      ? 
1 1 1    1   24    6 o  374.070   8.4826  378.782   17.146   0.0000   0.0000  378.782   17.146  ?   ?   374.070   8.4826      ?      ? 
1 1 1    1   24    7 o  244.642   7.7028  161.960   10.183   0.0000   0.0000  161.960   10.183  ?   ?   244.642   7.7028      ?      ? 
1 1 1    1   24    8 o  448.499   8.1131  521.627   16.700  590.991   35.377  501.739   18.943  466.451   14.035  430.547   8.1422 35.90460 16.22613 
1 1 1    1   24    9 o  386.632   7.7950  388.678   13.873  437.162   29.215  374.562   15.764  401.244   13.474  372.019   7.8416 29.22479 15.59001 
1 1 1    1   24   10 o  202.198   9.4177  110.738   10.290   0.0000   0.0000  110.738   10.290  ?   ?   202.198   9.4177      ?      ? 
1 1 1    1   24   11 o  193.930   15.804  105.129   16.199   89.977   24.425  117.027   21.644  180.860   24.992  207.000   19.350 -26.14020 31.60729 
1 1 1    1   24   12 o  267.297   12.320  195.745   17.473  189.595   27.197  200.068   22.802  263.460   19.104  271.134   15.563 -7.674011 24.64070 
1 1 1    1   24   13 o  227.419   13.041  142.020   15.820  135.969   24.103  146.599   20.968  222.926   20.009  231.913   16.732 -8.986755 26.08295 
1 1 1    1   24   14 o  274.294   11.596  203.766   16.980  213.649   26.385  196.779   22.184  279.769   17.453  268.818   15.272 10.95148 23.19125 
1 1 1    1   24   15 f  114.354   22.427   37.820   14.071   36.059   23.154   38.851   17.717  112.730   34.652  115.977   28.479 -3.246124 44.85315 
1 1 1    1   24   16 o  407.020   14.704  451.351   32.341   0.0000   0.0000  451.351   32.341  ?   ?   407.020   14.704      ?      ? 
1 1 1    1   24   17 o  204.796   8.3056  114.089   9.1319  131.347   13.105   97.801   12.732  219.936   11.027  189.656   12.423 30.28036 16.61111 
1 1 1    1   24   18 o  478.887   7.4829  622.716   19.358  604.795   27.355  640.694   27.399  471.953   10.726  485.822   10.437 -13.86884 14.96585 
1 1 1    1   24   19 o  155.935   10.180   66.694   8.5262   59.832   12.257   73.128   11.868  148.021   15.324  163.848   13.405 -15.82697 20.35936 
1 1 1    1   24   21 o  397.906   13.662  431.982   29.375   0.0000   0.0000  431.982   29.375  ?   ?   397.906   13.662      ?      ? 
1 1 1    1   24   22 o  195.795   10.360  108.296   10.333  116.648   12.952   93.671   17.140  206.975   11.581  184.615   17.181 22.36021 20.71943 
1 1 1    1   24   23 o  157.245   10.540   68.217   8.8593   64.009   13.298   71.576   11.880  152.670   16.119  161.821   13.586 -9.150925 21.08078 
1 1 1    1   24   24 o  244.156   10.355  162.167   13.661   0.0000   0.0000  162.167   13.661  ?   ?   244.156   10.355      ?      ? 
1 1 1    1   24   25 f  147.476   10.051   59.782   7.9768   55.352   11.503   63.885   11.071  142.085   14.982  152.867   13.403 -10.78195 20.10213 
1 1 1    1   24   26 o  177.519   9.0361   86.989   8.5235   68.766   12.019  105.429   12.090  158.415   14.040  196.624   11.379 -38.20848 18.07217 
1 1 1    1   24   27 o  283.624   6.9617  219.156   10.654  216.515   15.431  221.561   14.729  281.926   10.129  285.321   9.5534 -3.394714 13.92336 
1 1 1    1   24   29 o   78.898   16.433   18.059   7.4725   17.496   11.004   18.540   10.180   78.006   23.873   79.789   22.589 -1.783813 32.86633 
1 1 1    1   24   30 o   87.929   15.723   22.744   7.4708   22.253   10.853   23.186   10.299   86.955   22.813   88.904   21.642 -1.948486 31.44531 
1 1 1    1   24   31 o  161.964   9.1800   73.073   7.9003   58.860   11.293   86.698   11.057  146.030   14.311  177.898   11.502 -31.86707 18.36007 
1 1 1    1   24   32 o   86.105   15.217   21.842   7.0676   23.987   10.214   19.872   9.7894   90.166   21.303   82.044   21.735 8.122208 30.43333 
1 1 1    1   24   33 o  130.904   10.225   47.499   7.2270   49.846   10.448   45.347   10.007  134.006   14.429  127.801   14.491 6.204834 20.44907 
1 1 1    1   24   34 o  103.981   13.022   30.982   7.0896   37.688   10.327   25.004   9.7502  115.936   16.484   92.025   20.165 23.91150 26.04478 
1 1 1    1   24   35 o   97.346   16.442   27.407   8.2789   23.825   10.314   33.896   13.881   89.224   21.619  105.468   24.777 -16.24426 32.88346 
1 1 1    1   24   36 o  194.775   10.591  108.236   10.913  122.568   14.749   90.901   16.221  210.142   12.989  179.407   16.733 30.73564 21.18212 
1 1 1    1   24   37 o  120.878   15.550   44.351   9.7369   50.045   13.099   37.320   14.556  132.136   18.345  109.620   25.113 22.51567 31.09966 
1 1 1    1   24   38 o   81.441   18.838   19.587   9.3187   16.732   11.765   24.392   15.265   74.900   24.883   87.981   28.288 -13.08091 37.67525 
1 1 1    1   24   39 o  103.589   17.041   33.261   9.1789   32.252   11.714   34.865   14.775  102.718   21.779  104.461   26.216 -1.742538 34.08250 
1 1 1    1   24   40 o  247.277   9.5712  168.382   12.593  152.680   16.191  192.432   20.038  233.476   12.833  261.077   14.203 -27.60120 19.14231 
1 1 1    1   24   41 o  153.140   9.3549   65.951   7.6313   65.882   11.805   66.001   10.002  152.556   14.320  153.723   12.041 -1.167252 18.70984 
1 1 1    1   24   42 o   38.535   12.789  -7.9623   6.7215  -7.4660   9.9255  -8.3827   9.1350   39.895   18.632   37.176   17.523 2.719204 25.57791 
1 1 1    1   24   43 o  112.251   12.799   39.092   7.2054   28.230   10.791   47.831   9.6793   94.812   21.551  129.690   13.812 -34.87813 25.59720 
1 1 1    1   24   44 o   56.600   13.996   3.2451   6.6861   19.467   9.8974 -10.3717   9.0680   77.936   22.345   35.264   16.861 42.67174 27.99268 
1 1 1    1   24   45 o  152.559   9.3475   66.932   7.5996   58.540   11.183   74.135   10.359  142.805   14.491  162.314   11.811 -19.50836 18.69504 
1 1 1    1   24   46 o  184.174   8.2724   96.222   8.1747   91.481   12.103  100.200   11.086  179.431   12.482  188.918   10.859 -9.487259 16.54479 
1 1 1    1   24   47 o   70.486   16.170   15.330   7.2162   22.367   10.958   9.9415   9.5891   81.789   23.530   59.183   22.185 22.60619 32.33952 
1 1 1    1   24   48 o   72.254   16.074   17.632   7.0020   16.854   10.428   18.271   9.4489   70.638   23.425   73.870   22.017 -3.232460 32.14730 
1 1 1    1   24   49 o   68.749   15.861   15.992   6.7373   15.784   10.381   16.142   8.8555   68.115   23.374   69.383   21.447 -1.267502 31.72263 
1 1 1    1   24   50 o   66.897   16.350   14.421   7.1873   17.947   10.855   11.669   9.5912   72.485   23.892   61.309   22.327 11.17595 32.70066 
1 1 1    1   24   51 o   65.312   15.977   14.453   7.0514   10.406   10.221   18.129   9.7404   58.502   22.665   72.122   22.526 -13.62024 31.95487 
1 1 1    1   24   52 o   87.339   15.325   27.705   7.1626   29.867   10.784   25.998   9.5814   89.730   22.330   84.948   20.994 4.782204 30.64909 
1 1 1    1   24   53 o   54.688   15.577   8.5025   7.1875   12.357   10.335   4.8918   10.002   59.990   22.907   49.386   21.114 10.60365 31.15331 
1 1 1    1   24   54 o   54.984   16.710   9.3787   9.4483  -0.7689   16.300   14.514   11.595   49.376   23.315   60.591   23.943 -11.21490 33.41932 
1 1 1    1   25    0 o  330.761   9.0539  296.348   16.182   0.0000   0.0000  296.348   16.182  ?   ?   330.761   9.0539      ?      ? 
1 1 1    1   25    1 o  278.215   9.3935  209.712   14.122   0.0000   0.0000  209.712   14.122  ?   ?   278.215   9.3935      ?      ? 
1 1 1    1   25    2 o   79.690   20.469   18.041   8.8608   0.0000   0.0000   18.041   8.8608  ?   ?    79.690   20.469      ?      ? 
1 1 1    1   25    3 o  314.936   9.8384  268.812   16.743   0.0000   0.0000  268.812   16.743  ?   ?   314.936   9.8384      ?      ? 
1 1 1    1   25    4 o  142.186   15.077   55.028   11.584   0.0000   0.0000   55.028   11.584  ?   ?   142.186   15.077      ?      ? 
1 1 1    1   25    5 o   86.573   23.033   21.331   10.963   0.0000   0.0000   21.331   10.963  ?   ?    86.573   23.033      ?      ? 
1 1 1    1   25    6 o  175.598   13.205   83.810   12.530   0.0000   0.0000   83.810   12.530  ?   ?   175.598   13.205      ?      ? 
1 1 1    1   25    8 o  246.491   10.256  164.794   13.660   0.0000   0.0000  164.794   13.660  ?   ?   246.491   10.256      ?      ? 
1 1 1    1   25    9 o  267.736   9.8016  194.385   14.181   0.0000   0.0000  194.385   14.181  ?   ?   267.736   9.8016      ?      ? 
1 1 1    1   25   10 o  351.846   12.988  336.712   24.694  336.712   24.694   0.0000   0.0000  351.846   12.988  ?   ?       ?      ? 
1 1 1    1   25   11 o  100.527   14.208   30.381   7.0195   22.658   12.262   34.147   8.5611   89.095   24.641  111.960   14.151 -22.86512 28.41505 
1 1 1    1   25   12 o   77.689   16.926   16.468   8.1980   22.994   11.217   8.9861   12.011   89.571   23.043   65.807   24.798 23.76413 33.85114 
1 1 1    1   25   13 o  192.870   8.8154  102.167   9.0846   86.170   13.008  117.400   12.693  177.872   13.533  207.868   11.301 -29.99611 17.63086 
1 1 1    1   25   14 o  255.105   7.6666  175.746   10.519  153.625   14.336  201.546   15.483  237.776   11.158  272.434   10.517 -34.65819 15.33325 
1 1 1    1   25   15 o  166.518   9.4675   75.709   8.4790   84.797   12.068   66.847   11.916  176.484   12.654  156.553   14.086 19.93109 18.93499 
1 1 1    1   25   16 o  209.985   8.4574  120.331   9.5430  116.505   14.135  123.536   12.936  206.819   12.648  213.150   11.231 -6.330292 16.91474 
1 1 1    1   25   17 o  289.203   7.3105  227.274   11.415  215.184   16.023  239.736   16.268  281.360   10.539  297.045   10.135 -15.68530 14.62100 
1 1 1    1   25   18 o  288.600   10.160  226.417   15.845   0.0000   0.0000  226.417   15.845  ?   ?   288.600   10.160      ?      ? 
1 1 1    1   25   20 o  236.772   9.2205  146.673   11.351  131.233   13.965  176.734   19.485  219.418   11.778  254.126   14.190 -34.70795 18.44091 
1 1 1    1   25   21 o  523.551   15.282  751.802   43.234   0.0000   0.0000  751.802   43.234  ?   ?   523.551   15.282      ?      ? 
1 1 1    1   25   22 o  133.685   12.702   46.810   8.9125   66.126   14.474   35.014   11.311  154.861   17.297  112.510   18.605 42.35059 25.40311 
1 1 1    1   25   23 o   42.360   13.913  -9.1096   7.6547  -7.6290   11.064 -10.4690   10.602   44.093   20.268   40.627   19.065 3.465885 27.82507 
1 1 1    1   25   24 o   70.574   16.503   13.428   7.5713   17.831   10.208   8.0438   11.288   78.618   22.737   62.529   23.925 16.08957 33.00583 
1 1 1    1   25   25 o  185.716   8.8440   94.081   8.8010   78.334   12.040  112.149   12.897  168.956   13.188  202.475   11.788 -33.51872 17.68809 
1 1 1    1   25   26 f  119.432   12.293   39.748   7.8965   38.376   11.619   40.925   10.765  117.327   18.326  121.537   16.391 -4.210243 24.58676 
1 1 1    1   25   27 o  230.601   7.6758  145.346   9.5523  145.377   13.865  145.318   13.179  230.556   11.129  230.645   10.574 -0.8914185E-01 15.35155 
1 1 1    1   25   28 o  138.991   14.911   53.405   11.199   0.0000   0.0000   53.405   11.199  ?   ?   138.991   14.911      ?      ? 
1 1 1    1   25   29 o  389.706   13.741  419.144   28.937   0.0000   0.0000  419.144   28.937  ?   ?   389.706   13.741      ?      ? 
1 1 1    1   25   30 o   91.670   17.482   23.316   8.7013   17.206   10.823   34.482   14.631   76.720   23.709  106.621   25.697 -29.90108 34.96395 
1 1 1    1   25   31 o   68.965   17.998   11.890   8.9463   14.563   12.038   8.5923   13.370   72.589   25.156   65.341   25.746 7.247841 35.99511 
1 1 1    1   25   32 o   69.567   17.223   12.521   8.5442   19.345   11.437   3.9009   12.854   80.493   24.275   58.642   24.439 21.85108 34.44574 
1 1 1    1   25   33 o  139.446   13.067   54.827   9.8011   48.491   13.243   62.500   14.574  130.497   18.781  148.394   18.174 -17.89705 26.13464 
1 1 1    1   25   34 o  265.560   9.2510  195.249   13.202  188.559   17.643  203.761   19.901  260.727   12.522  270.393   13.620 -9.665741 18.50197 
1 1 1    1   25   35 o   74.874   18.611   15.183   9.3379   10.446   12.148   22.025   14.598   65.329   24.861   84.420   27.702 -19.09091 37.22234 
1 1 1    1   25   36 o   66.388   16.621   11.787   7.4365   15.525   11.409   9.0258   9.8055   72.593   24.508   60.182   22.459 12.41143 33.24182 
1 1 1    1   25   37 o  230.768   10.102  147.022   12.598   0.0000   0.0000  147.022   12.598  ?   ?   230.768   10.102      ?      ? 
1 1 1    1   25   38 f  144.966   9.6514   59.202   7.4932   58.628   11.333   59.647   9.9879  143.938   14.571  145.995   12.660 -2.056595 19.30277 
1 1 1    1   25   39 o  116.098   11.721   38.185   7.2947   43.774   11.204   34.073   9.6108  123.255   16.822  108.940   16.326 14.31505 23.44190 
1 1 1    1   25   40 o   57.646   15.295   7.1134   6.9218   0.1712   9.7236   14.245   9.8555   46.828   20.420   68.465   22.776 -21.63719 30.58924 
1 1 1    1   25   41 o  126.927   10.968   46.944   7.4125   39.652   10.732   53.598   10.251  116.573   17.036  137.281   13.818 -20.70825 21.93592 
1 1 1    1   25   42 o   63.171   15.682   11.441   7.0073   5.2775   10.353   16.652   9.5192   53.891   22.146   72.451   22.210 -18.56002 31.36386 
1 1 1    1   25   43 o  151.652   9.6705   65.592   7.8993   65.544   11.631   65.633   10.762  151.271   14.230  152.033   13.099 -0.7614441 19.34101 
1 1 1    1   25   44 o   48.701   14.797   2.0594   7.0024   2.1294   10.149   1.9958   9.6736   49.220   21.162   48.182   20.686 1.037746 29.59302 
1 1 1    1   25   45 o   96.848   14.768   29.752   7.4959   34.396   11.095   25.851   10.167  104.255   20.425   89.442   21.335 14.81363 29.53614 
1 1 1    1   25   46 o   97.659   14.163   30.248   7.4088   43.700   10.879   18.614   10.118  120.846   16.660   74.472   22.908 46.37394 28.32565 
1 1 1    1   25   47 o   57.835   15.819   9.4878   7.0602   12.631   10.452   6.8505   9.5745   62.610   23.223   53.060   21.488 9.549519 31.63867 
1 1 1    1   25   48 o   78.271   15.899   19.701   7.3481   29.852   11.305   12.275   9.6690   94.232   22.511   62.310   22.459 31.92147 31.79882 
1 1 1    1   25   49 o   64.406   22.573   13.622   9.7061   0.0000   0.0000   13.622   9.7061  ?   ?    64.406   22.573      ?      ? 
1 1 1    1   25   50 o   75.313   15.619   21.609   7.2321   13.829   10.519   28.583   9.9594   61.113   23.164   89.513   20.959 -28.40041 31.23866 
1 1 1    1   25   51 o   91.492   16.882   36.176   9.1476   18.734   19.303   41.227   10.388   68.436   29.297  114.548   16.783 -46.11213 33.76352 
1 1 1    1   25   52 o   71.611   17.431   21.600   10.414  -1.3471   17.197   34.887   13.086   50.558   23.896   92.663   25.385 -42.10511 34.86253 
1 1 1    1   26    2 o  139.968   33.580   57.658   25.073   0.0000   0.0000   57.658   25.073  ?   ?   139.968   33.580      ?      ? 
1 1 1    1   26    3 o  123.451   35.262   44.662   24.692   0.0000   0.0000   44.662   24.692  ?   ?   123.451   35.262      ?      ? 
1 1 1    1   26    5 o  505.403   8.9688  692.687   24.494   0.0000   0.0000  692.687   24.494  ?   ?   505.403   8.9688      ?      ? 
1 1 1    1   26    6 o  223.213   8.9921  135.125   10.846   0.0000   0.0000  135.125   10.846  ?   ?   223.213   8.9921      ?      ? 
1 1 1    1   26    7 o   79.230   20.858   17.934   9.0525   0.0000   0.0000   17.934   9.0525  ?   ?    79.230   20.858      ?      ? 
1 1 1    1   26    8 o  241.418   8.5093  158.029   11.101   0.0000   0.0000  158.029   11.101  ?   ?   241.418   8.5093      ?      ? 
1 1 1    1   26    9 o  235.279   7.9985  150.048   10.169   0.0000   0.0000  150.048   10.169  ?   ?   235.279   7.9985      ?      ? 
1 1 1    1   26   10 o  232.844   7.6684  141.995   9.0194  162.523   16.357  133.027   10.812  244.273   12.392  221.415   9.0363 22.85751 15.33680 
1 1 1    1   26   11 o  361.483   7.4465  349.534   12.896  367.568   25.159  343.109   15.018  367.209   12.679  355.757   7.8123 11.45160 14.89296 
1 1 1    1   26   12 o  133.146   13.592   49.609   9.0503   72.455   13.502   30.968   12.196  162.636   15.363  103.656   22.425 58.97998 27.18327 
1 1 1    1   26   13 o  159.528   13.625   69.548   11.745   69.548   11.745   0.0000   0.0000  159.528   13.625  ?   ?       ?      ? 
1 1 1    1   26   14 o  181.180   12.558   89.582   12.295   89.582   12.295   0.0000   0.0000  181.180   12.558  ?   ?       ?      ? 
1 1 1    1   26   16 o  187.551   8.9799   96.298   9.0704  104.172   12.739   88.201   12.918  195.444   12.062  179.658   13.306 15.78604 17.95978 
1 1 1    1   26   17 o  164.846   10.212   74.510   9.0568   83.506   12.943   65.880   12.677  174.716   13.710  154.975   15.138 19.74083 20.42363 
1 1 1    1   26   18 o  554.418   15.862  845.270   47.520   0.0000   0.0000  845.270   47.520  ?   ?   554.418   15.862      ?      ? 
1 1 1    1   26   19 o  167.793   18.237   77.995   16.536   0.0000   0.0000   77.995   16.536  ?   ?   167.793   18.237      ?      ? 
1 1 1    1   26   20 o  415.738   13.804  474.324   31.012   0.0000   0.0000  474.324   31.012  ?   ?   415.738   13.804      ?      ? 
1 1 1    1   26   21 o  265.693   9.6017  194.152   13.754  208.514   19.424  179.707   19.479  275.731   13.036  255.655   14.100 20.07645 19.20334 
1 1 1    1   26   22 o  164.810   11.689   74.470   10.313   69.797   13.531   80.946   15.930  158.894   15.759  170.726   17.268 -11.83199 23.37779 
1 1 1    1   26   23 o  147.759   13.045   59.331   10.163   43.626   13.345   81.013   15.680  124.727   19.800  170.792   16.990 -46.06548 26.09041 
1 1 1    1   26   24 o  374.090   9.3798  384.088   18.942  407.432   27.440  362.838   26.180  384.964   13.191  363.216   13.339 21.74866 18.75955 
1 1 1    1   26   25 o  213.543   10.307  126.324   11.798  128.874   15.821  123.131   17.708  216.301   13.536  210.784   15.547 5.517105 20.61357 
1 1 1    1   26   26 o  264.415   9.2548  192.738   13.131  193.356   17.587  191.959   19.739  265.206   12.272  263.625   13.856 1.581360 18.50953 
1 1 1    1   26   27 o  140.362   12.948   55.861   9.6472   57.568   12.653   53.491   14.910  143.536   16.313  137.187   20.113 6.349350 25.89663 
1 1 1    1   26   28 o   74.069   18.365   15.142   9.1308   17.367   11.969   12.045   14.123   77.275   25.070   70.863   26.844 6.412209 36.73043 
1 1 1    1   26   29 o  162.939   11.725   74.480   10.319   72.748   14.319   76.351   14.882  161.016   16.457  164.863   16.706 -3.846802 23.45051 
1 1 1    1   26   30 o   87.882   18.089   22.942   8.9871   19.939   11.597   27.455   14.219   81.442   24.418   94.322   26.695 -12.88004 36.17849 
1 1 1    1   26   31 o  327.013   12.550  296.396   22.176  296.396   22.176   0.0000   0.0000  327.013   12.550  ?   ?       ?      ? 
1 1 1    1   26   32 o  178.728   9.0589   87.929   8.6786  105.193   12.957   73.882   11.688  194.667   12.318  162.789   13.286 31.87807 18.11785 
1 1 1    1   26   33 o   46.804   14.279  -2.4667   7.0272 -10.3897   9.7992   5.9212   10.083   37.791   17.914   55.818   22.241 -18.02729 28.55824 
1 1 1    1   26   34 o  152.364   9.5236   65.191   7.8046   58.172   11.033   72.221   11.041  143.834   14.196  160.894   12.700 -17.06013 19.04728 
1 1 1    1   26   35 o  171.640   8.6981   82.050   8.0562   86.008   11.779   78.571   11.043  175.465   12.423  167.816   12.178 7.649002 17.39616 
1 1 1    1   26   36 o   98.078   14.128   29.486   7.2542   24.390   11.034   33.365   9.6270   88.298   22.924  107.858   16.518 -19.55994 28.25517 
1 1 1    1   26   37 o   59.588   15.815   9.1235   6.8916   9.6273   9.9547   8.6598   9.5502   60.621   22.628   58.555   22.101 2.066273 31.62995 
1 1 1    1   26   38 o   49.003   14.733   2.0913   6.8300   3.2487   9.7289   0.9666   9.5907   50.568   21.183   47.438   20.483 3.130249 29.46696 
1 1 1    1   26   40 o  117.139   12.466   41.418   7.5396   36.756   11.347   45.103   10.089  109.156   19.974  125.122   14.921 -15.96632 24.93184 
1 1 1    1   26   41 o   44.503   14.051  -3.1747   6.9926   3.0765   10.499  -8.1584   9.3743   51.306   21.775   37.701   17.765 13.60503 28.10231 
1 1 1    1   26   42 o   84.558   15.645   22.802   7.2225   27.422   10.947   19.241   9.6115   92.007   22.260   77.110   21.991 14.89706 31.29061 
1 1 1    1   26   43 o  130.709   12.557   54.434   7.9053   33.214   11.574   72.991   10.823  101.403   21.773  160.016   12.517 -58.61292 25.11468 
1 1 1    1   26   44 o  102.670   13.931   32.740   7.5312   41.185   11.210   25.793   10.167  116.604   17.791   88.737   21.443 27.86647 27.86279 
1 1 1    1   26   45 o   96.733   14.142   30.179   7.2876   37.683   10.592   23.433   10.043  110.537   17.733   82.928   22.035 27.60999 28.28420 
1 1 1    1   26   46 o   35.640   12.167 -12.3305   7.0112  -9.2868   10.333 -14.9278   9.5449   38.315   18.230   32.964   16.119 5.350437 24.33373 
1 1 1    1   26   47 o   49.070   15.043   2.2814   7.4045   4.6743   10.641   0.0354   10.309   51.947   21.978   46.193   20.546 5.754295 30.08612 
1 1 1    1   26   48 o   72.532   16.020   19.751   7.5609   11.207   10.971   27.480   10.435   57.989   23.170   87.075   22.130 -29.08655 32.04053 
1 1 1    1   26   49 o   52.308   16.995   2.3595   10.364  -4.8243   20.596   4.7950   11.992   53.271   25.453   51.345   22.526 1.925423 33.98924 
1 1 1    1   26   50 o   94.285   20.027   40.284   11.263   35.811   19.703   42.455   13.727   83.099   31.652  105.471   24.546 -22.37209 40.05440 
1 1 1    1   27    0 o  122.910   12.629   41.224   8.3874   0.0000   0.0000   41.224   8.3874  ?   ?   122.910   12.629      ?      ? 
1 1 1    1   27    1 o   83.012   18.942   19.768   8.3090   0.0000   0.0000   19.768   8.3090  ?   ?    83.012   18.942      ?      ? 
1 1 1    1   27    2 o   70.491   20.574   14.063   8.3237   0.0000   0.0000   14.063   8.3237  ?   ?    70.491   20.574      ?      ? 
1 1 1    1   27    3 o  271.872   7.5794  200.431   11.135   0.0000   0.0000  200.431   11.135  ?   ?   271.872   7.5794      ?      ? 
1 1 1    1   27    4 o  118.411   13.971   38.354   8.9394   0.0000   0.0000   38.354   8.9394  ?   ?   118.411   13.971      ?      ? 
1 1 1    1   27    5 o  162.775   19.706   73.368   17.333   0.0000   0.0000   73.368   17.333  ?   ?   162.775   19.706      ?      ? 
1 1 1    1   27    6 o  344.642   8.9741  322.577   16.713   0.0000   0.0000  322.577   16.713  ?   ?   344.642   8.9741      ?      ? 
1 1 1    1   27    8 o   96.925   24.347   27.340   12.735   0.0000   0.0000   27.340   12.735  ?   ?    96.925   24.347      ?      ? 
1 1 1    1   27    9 o  129.008   17.871   45.895   12.458   0.0000   0.0000   45.895   12.458  ?   ?   129.008   17.871      ?      ? 
1 1 1    1   27   10 o  332.432   13.238  302.027   23.780   0.0000   0.0000  302.027   23.780  ?   ?   332.432   13.238      ?      ? 
1 1 1    1   27   11 o  133.008   14.956   52.502   9.8139   59.572   12.502   41.149   15.842  147.260   15.710  118.755   25.453 28.50574 29.91104 
1 1 1    1   27   12 o  397.121   9.4783  430.660   20.319  456.306   29.474  407.432   28.049  408.384   13.356  385.859   13.453 22.52466 18.95668 
1 1 1    1   27   13 o  296.647   9.3250  241.007   14.937  247.072   20.909  234.685   21.346  300.550   12.874  292.743   13.494 7.807190 18.65009 
1 1 1    1   27   14 o   84.092   18.119   18.200   9.5835   7.8491   12.750   31.644   14.530   64.638   25.238  103.545   26.005 -38.90668 36.23848 
1 1 1    1   27   15 o  146.145   12.910   59.862   9.9966   62.500   13.107   56.194   15.457  150.467   16.120  141.823   20.169 8.643646 25.81944 
1 1 1    1   27   16 o  100.779   17.216   29.114   9.2327   23.649   12.076   36.802   14.324   89.708   24.307  111.850   24.386 -22.14183 34.43184 
1 1 1    1   27   17 o  178.092   11.332   86.199   10.766   69.302   14.306  108.266   16.349  158.125   16.743  198.058   15.276 -39.93317 22.66492 
1 1 1    1   27   18 f   76.487   18.531   15.879   9.1265   16.417   11.750   15.061   14.490   76.436   24.842   76.538   27.504 -0.1021576 37.06209 
1 1 1    1   27   19 o  197.550   10.903  108.395   11.556  122.635   16.314   94.054   16.372  210.945   14.312  184.155   16.452 26.79012 21.80597 
1 1 1    1   27   20 o  455.556   9.9917  571.975   24.570  570.045   33.947  574.099   35.607  454.953   13.808  456.160   14.445 -1.206573 19.98348 
1 1 1    1   27   21 o  129.083   13.713   46.969   9.1217   61.734   13.592   34.869   12.304  148.922   16.890  109.243   21.609 39.67850 27.42656 
1 1 1    1   27   22 o  192.929   9.1469  101.371   9.4818  113.739   14.361   91.815   12.624  203.207   13.079  182.651   12.791 20.55637 18.29380 
1 1 1    1   27   23 o   66.666   16.968   11.092   8.0047   6.4685   11.698   15.163   10.977   60.222   23.970   73.111   24.023 -12.88850 33.93573 
1 1 1    1   27   24 o   71.721   15.755   12.766   7.6348   1.9488   10.466   25.067   11.162   51.915   21.871   91.526   22.683 -39.61120 31.50954 
1 1 1    1   27   25 o   80.179   16.462   19.214   7.5978   21.432   10.475   16.753   11.036   84.621   22.515   75.736   24.022 8.884987 32.92366 
1 1 1    1   27   26 o   87.669   15.228   22.802   7.4827   13.352   10.377   33.041   10.800   69.066   23.372  106.271   19.527 -37.20484 30.45598 
1 1 1    1   27   27 o  120.609   12.211   41.169   7.9243   36.872   11.180   45.507   11.234  113.998   18.148  127.220   16.341 -13.22171 24.42148 
1 1 1    1   27   28 o   76.440   16.780   17.308   7.6385   15.551   10.303   19.453   11.383   72.690   23.226   80.190   24.225 -7.500183 33.56067 
1 1 1    1   27   29 o  136.123   10.866   52.699   7.8587   63.238   11.106   42.127   11.122  150.477   13.658  121.769   16.903 28.70860 21.73134 
1 1 1    1   27   30 o   56.086   15.913   5.6745   7.3729   7.0792   10.367   4.2368   10.488   57.983   22.725   54.190   22.282 3.792717 31.82607 
1 1 1    1   27   31 f  173.568   9.1507   84.461   8.5344   93.287   11.974   75.348   12.167  183.177   12.097  163.959   13.733 19.21762 18.30135 
1 1 1    1   27   32 f   82.759   16.134   21.290   7.4481   21.362   10.536   21.218   10.531   82.898   22.805   82.619   22.829 0.2783890 32.26841 
1 1 1    1   27   33 o  173.241   12.339   83.844   11.551   0.0000   0.0000   83.844   11.551  ?   ?   173.241   12.339      ?      ? 
1 1 1    1   27   34 o   79.527   15.740   19.454   7.4155   27.572   10.556   11.545   10.419   94.653   21.170   64.402   23.299 30.25081 31.47984 
1 1 1    1   27   35 o  124.264   11.398   44.509   7.6175   49.671   10.852   39.495   10.695  131.782   15.240  116.746   16.953 15.03603 22.79597 
1 1 1    1   27   36 o  163.048   12.927   75.054   11.390   0.0000   0.0000   75.054   11.390  ?   ?   163.048   12.927      ?      ? 
1 1 1    1   27   37 o  199.079   8.0470  111.006   8.6530  113.071   12.458  109.081   12.028  200.803   11.481  197.355   11.279 3.448608 16.09406 
1 1 1    1   27   38 o  114.631   12.369   39.196   7.4166   45.151   10.576   33.435   10.403  124.759   15.688  104.502   19.127 20.25674 24.73813 
1 1 1    1   27   39 o  115.010   11.995   38.876   7.4374   41.526   10.496   36.203   10.541  119.313   16.279  110.707   17.620 8.606834 23.98919 
1 1 1    1   27   40 o   82.433   14.925   21.713   7.1637   11.540   9.9548   32.639   10.317   62.369   22.741  102.496   19.336 -40.12729 29.85058 
1 1 1    1   27   41 o   73.859   16.365   17.938   7.2662   19.393   10.507   16.604   10.060   76.429   23.316   71.289   22.969 5.140259 32.72918 
1 1 1    1   27   42 o   82.986   15.862   22.958   7.3967   28.459   10.717   17.954   10.221   92.933   21.730   73.040   23.113 19.89238 31.72378 
1 1 1    1   27   43 o   66.839   16.307   15.127   7.1542   14.526   10.171   15.716   10.065   65.762   23.104   67.917   23.018 -2.154732 32.61325 
1 1 1    1   27   44 o   42.506   13.775  -4.0338   7.2350  -0.1220   10.273  -7.8842   10.192   45.991   20.480   39.021   18.428 6.970352 27.55032 
1 1 1    1   27   45 f   57.543   15.372   7.6408   7.2705  -1.5745   10.277   16.876   10.288   44.540   20.104   70.547   23.260 -26.00722 30.74445 
1 1 1    1   27   46 o   49.154   16.467  -6.5734   9.2961   11.854   19.422 -12.0498   10.588   62.380   27.940   35.928   17.435 26.45200 32.93372 
1 1 1    1   27   47 o   45.807   15.394  -6.9006   10.502 -28.5811   20.453   0.8619   12.238   43.848   21.829   47.767   21.712 -3.918362 30.78794 
1 1 1    1   27   48 o   77.864   18.344   27.233   10.454   10.336   19.878   33.694   12.291   61.138   27.744   94.589   24.006 -33.45075 36.68830 
1 1 1    1   27   49 o   64.305   17.524   17.497   8.7205   19.552   11.567   14.791   13.274   68.021   24.557   60.589   25.007 7.432686 35.04899 
1 1 1    1   28    0 o  263.655   14.463  190.851   20.606   0.0000   0.0000  190.851   20.606  ?   ?   263.655   14.463      ?      ? 
1 1 1    1   28    1 o  305.793   8.2920  253.991   13.702   0.0000   0.0000  253.991   13.702  ?   ?   305.793   8.2920      ?      ? 
1 1 1    1   28    2 o   99.546   16.349   27.331   8.7941   0.0000   0.0000   27.331   8.7941  ?   ?    99.546   16.349      ?      ? 
1 1 1    1   28    3 o  332.043   7.2986  299.134   13.095   0.0000   0.0000  299.134   13.095  ?   ?   332.043   7.2986      ?      ? 
1 1 1    1   28    4 o  194.539   9.2815  102.956   9.7569   0.0000   0.0000  102.956   9.7569  ?   ?   194.539   9.2815      ?      ? 
1 1 1    1   28    5 o  192.023   9.0569  100.291   9.3977   0.0000   0.0000  100.291   9.3977  ?   ?   192.023   9.0569      ?      ? 
1 1 1    1   28    6 o   57.144   20.263   8.0520   7.8398   0.0000   0.0000   8.0520   7.8398  ?   ?    57.144   20.263      ?      ? 
1 1 1    1   28    7 o  336.983   8.8884  308.884   16.185   0.0000   0.0000  308.884   16.185  ?   ?   336.983   8.8884      ?      ? 
1 1 1    1   28    8 o  174.778   9.4609   83.182   8.9353   0.0000   0.0000   83.182   8.9353  ?   ?   174.778   9.4609      ?      ? 
1 1 1    1   28    9 o  174.234   9.2143   82.648   8.6753   0.0000   0.0000   82.648   8.6753  ?   ?   174.234   9.2143      ?      ? 
1 1 1    1   28   10 o   72.064   19.209   15.014   7.6159   0.0000   0.0000   15.014   7.6159  ?   ?    72.064   19.209      ?      ? 
1 1 1    1   28   11 o  134.919   9.8732   48.515   6.6494   54.212   12.257   46.140   7.9153  139.932   16.210  129.906   11.276 10.02608 19.74646 
1 1 1    1   28   12 o  112.492   13.431   38.831   7.0159   29.347   12.643   43.051   8.4336   99.681   23.800  125.303   12.456 -25.62154 26.86267 
1 1 1    1   28   13 o  290.037   7.5644  222.019   11.150  252.703   19.952  208.087   13.445  303.645   12.160  276.429   9.0007 27.21591 15.12889 
1 1 1    1   28   14 o  147.165   10.780   59.603   8.5410   52.887   11.693   67.285   12.506  138.226   15.655  156.103   14.826 -17.87660 21.56073 
1 1 1    1   28   15 o  192.923   8.9380  102.201   9.3167  100.052   13.114  104.390   13.238  190.857   12.716  194.988   12.564 -4.131073 17.87606 
1 1 1    1   28   16 o  128.950   11.722   46.214   8.1631   44.106   11.405   48.429   11.689  125.894   16.765  132.005   16.386 -6.111015 23.44334 
1 1 1    1   28   17 o  343.962   13.177  325.901   24.492   0.0000   0.0000  325.901   24.492  ?   ?   343.962   13.177      ?      ? 
1 1 1    1   28   18 o   71.437   17.507   13.915   8.1666   15.120   10.356   11.935   13.281   72.739   23.291   70.134   26.144 2.604927 35.01398 
1 1 1    1   28   19 o  338.509   12.204  315.540   22.323  315.540   22.323   0.0000   0.0000  338.509   12.204  ?   ?       ?      ? 
1 1 1    1   28   20 o  184.033   14.054   93.941   13.976   93.941   13.976   0.0000   0.0000  184.033   14.054  ?   ?       ?      ? 
1 1 1    1   28   21 o   54.968   15.615   3.2489   7.4074  -2.8119   10.135   10.199   10.853   45.680   20.342   64.256   23.697 -18.57592 31.23027 
1 1 1    1   28   22 o   81.260   16.832   19.770   7.9958   23.908   11.158   15.403   11.464   89.085   23.015   73.436   24.567 15.64980 33.66361 
1 1 1    1   28   23 o  219.042   11.190  132.071   13.245   0.0000   0.0000  132.071   13.245  ?   ?   219.042   11.190      ?      ? 
1 1 1    1   28   24 o  215.814   8.0225  126.872   9.2272  100.374   12.390  159.864   13.826  190.547   12.034  241.081   10.613 -50.53401 16.04499 
1 1 1    1   28   25 o  153.974   14.569   66.422   12.122   0.0000   0.0000   66.422   12.122  ?   ?   153.974   14.569      ?      ? 
1 1 1    1   28   26 o  202.117   8.3641  113.194   9.1262  119.945   13.022  106.677   12.794  208.145   11.578  196.089   12.074 12.05678 16.72822 
1 1 1    1   28   27 o  142.081   10.736   56.759   8.1966   49.079   11.292   65.311   11.917  131.675   15.870  152.486   14.462 -20.81104 21.47125 
1 1 1    1   28   28 o   70.306   16.699   14.444   7.4763   13.069   10.151   16.073   11.053   67.384   23.114   73.227   24.108 -5.843666 33.39842 
1 1 1    1   28   29 o  157.109   10.088   69.892   8.4733   82.257   12.104   58.008   11.866  171.323   13.074  142.895   15.367 28.42798 20.17626 
1 1 1    1   28   30 o  193.492   11.977  104.393   12.523   0.0000   0.0000  104.393   12.523  ?   ?   193.492   11.977      ?      ? 
1 1 1    1   28   31 o  166.680   9.4548   78.171   8.5155   77.747   12.062   78.592   12.024  166.200   13.430  167.160   13.312 -0.9595032 18.90958 
1 1 1    1   28   32 o   54.105   15.668   5.0084   7.2964   4.8366   10.248   5.1849   10.391   53.752   22.054   54.458   22.260 -0.7063980 31.33532 
1 1 1    1   28   33 o  242.112   10.430  162.939   13.646   0.0000   0.0000  162.939   13.646  ?   ?   242.112   10.430      ?      ? 
1 1 1    1   28   34 o  142.610   10.211   57.930   7.8515   53.239   10.743   63.307   11.503  136.362   14.580  148.858   14.300 -12.49586 20.42250 
1 1 1    1   28   35 o   92.639   15.112   27.162   7.4099   27.726   10.321   26.561   10.645   93.956   20.871   91.323   21.862 2.632973 30.22478 
1 1 1    1   28   36 o   86.479   16.289   24.146   7.7655   26.761   11.205   21.730   10.772   91.109   22.812   81.849   23.259 9.260551 32.57850 
1 1 1    1   28   37 o  131.586   11.329   50.536   8.0542   49.869   11.278   51.230   11.506  130.734   15.965  132.437   16.077 -1.702606 22.65750 
1 1 1    1   28   38 o   66.374   16.481   13.562   7.4383   9.8420   10.324   17.579   10.727   59.717   22.872   73.030   23.736 -13.31244 32.96237 
1 1 1    1   28   39 o  219.555   11.192  136.059   13.278   0.0000   0.0000  136.059   13.278  ?   ?   219.555   11.192      ?      ? 
1 1 1    1   28   40 o  162.135   9.9799   77.811   8.5213   59.047   12.018   96.785   12.085  140.633   15.814  183.636   12.178 -43.00278 19.95984 
1 1 1    1   28   41 o  121.823   12.431   45.598   8.1829   45.647   11.579   45.549   11.566  121.889   17.580  121.758   17.579 0.1302567 24.86112 
1 1 1    1   28   42 o   48.034   14.876   0.2585   7.5709  -5.2808   10.524   6.2010   10.900   41.789   19.405   54.280   22.553 -12.49153 29.75241 
1 1 1    1   28   43 f   43.730   14.734  -8.6403   8.9900 -22.0113   17.927  -4.1477   10.391   45.132   22.073   42.329   19.524 2.802929 29.46857 
1 1 1    1   28   44 o   88.170   18.711   35.368   10.875   20.284   18.801   42.950   13.331   68.454   29.099  107.885   23.529 -39.43033 37.42172 
1 1 1    1   28   45 o   81.675   18.358   30.569   11.253   7.0158   20.749   40.383   13.394   59.570   27.516  103.780   24.310 -44.20986 36.71654 
1 1 1    1   28   46 o  105.771   17.545   52.299   12.299   16.752   21.215   70.293   15.094   65.909   29.384  145.632   19.181 -79.72340 35.09011 
1 1 1    1   28   47 o   42.226   13.802  -1.2999   7.3666   0.0630   10.924  -2.4367   9.9767   43.998   20.192   40.454   18.822 3.543282 27.60412 
1 1 1    1   29    0 o  147.932   11.138   59.857   8.9031   0.0000   0.0000   59.857   8.9031  ?   ?   147.932   11.138      ?      ? 
1 1 1    1   29    1 o  175.770   19.687   86.701   18.698   0.0000   0.0000   86.701   18.698  ?   ?   175.770   19.687      ?      ? 
1 1 1    1   29    2 o  203.675   8.5895  112.909   9.4536   0.0000   0.0000  112.909   9.4536  ?   ?   203.675   8.5895      ?      ? 
1 1 1    1   29    3 o  277.303   8.2122  209.172   12.306   0.0000   0.0000  209.172   12.306  ?   ?   277.303   8.2122      ?      ? 
1 1 1    1   29    4 o  157.307   10.618   67.622   9.0261   0.0000   0.0000   67.622   9.0261  ?   ?   157.307   10.618      ?      ? 
1 1 1    1   29    5 o  305.696   8.8541  254.507   14.626   0.0000   0.0000  254.507   14.626  ?   ?   305.696   8.8541      ?      ? 
1 1 1    1   29    6 o  118.114   13.078   38.359   8.3469   0.0000   0.0000   38.359   8.3469  ?   ?   118.114   13.078      ?      ? 
1 1 1    1   29    7 o  118.481   12.850   38.584   8.2267   0.0000   0.0000   38.584   8.2267  ?   ?   118.481   12.850      ?      ? 
1 1 1    1   29    8 o  169.519   9.7239   78.427   8.9073   0.0000   0.0000   78.427   8.9073  ?   ?   169.519   9.7239      ?      ? 
1 1 1    1   29    9 o  202.445   8.6377  111.641   9.4491   0.0000   0.0000  111.641   9.4491  ?   ?   202.445   8.6377      ?      ? 
1 1 1    1   29   10 o  175.969   9.1746   84.463   8.7239   0.0000   0.0000   84.463   8.7239  ?   ?   175.969   9.1746      ?      ? 
1 1 1    1   29   11 o  162.141   12.756   72.401   11.176   0.0000   0.0000   72.401   11.176  ?   ?   162.141   12.756      ?      ? 
1 1 1    1   29   12 o  135.268   10.287   51.092   7.1071   49.595   12.116   51.878   8.7754  133.157   16.838  137.379   11.821 -4.222534 20.57363 
1 1 1    1   29   13 o   52.034   14.836   4.1391   6.2831   4.1171   10.184   4.1526   7.9837   54.231   22.087   49.836   19.812 4.394554 29.67110 
1 1 1    1   29   14 o   95.507   14.384   30.077   6.8583   17.131   12.313   35.901   8.2579   77.104   25.448  113.910   13.416 -36.80626 28.76768 
1 1 1    1   29   15 o  140.586   16.035   55.279   12.181   0.0000   0.0000   55.279   12.181  ?   ?   140.586   16.035      ?      ? 
1 1 1    1   29   16 o  162.302   10.790   72.062   9.0885   68.543   11.258   78.649   15.402  157.357   13.239  167.247   17.042 -9.890747 21.58031 
1 1 1    1   29   17 o  168.243   10.462   78.633   9.3159   77.630   11.996   80.158   14.787  167.400   13.262  169.085   16.184 -1.684845 20.92319 
1 1 1    1   29   18 o   71.694   17.629   13.568   8.4552   19.137   12.732   9.1737   11.309   80.301   25.837   63.086   23.992 17.21493 35.25856 
1 1 1    1   29   19 o  127.748   12.239   46.169   8.4436   47.050   11.821   45.251   12.065  129.111   16.944  126.384   17.666 2.726822 24.47803 
1 1 1    1   29   20 o  116.597   13.139   39.559   7.9740   41.340   10.638   37.275   12.047  121.071   16.260  112.123   20.644 8.947350 26.27894 
1 1 1    1   29   21 o  130.686   11.698   48.337   8.2383   43.773   11.468   53.203   11.842  124.111   17.100  137.262   15.966 -13.15051 23.39505 
1 1 1    1   29   22 o  146.880   10.995   60.944   8.6059   74.291   12.450   48.733   11.909  162.839   14.149  130.921   16.833 31.91850 21.99020 
1 1 1    1   29   23 o  153.819   10.290   66.245   8.5233   74.408   12.422   58.984   11.716  162.919   14.111  144.720   14.982 18.19888 20.58081 
1 1 1    1   29   24 o  144.375   10.864   59.097   8.3897   69.562   12.019   49.151   11.717  157.372   14.133  131.378   16.504 25.99435 21.72864 
1 1 1    1   29   25 o   62.282   16.068   8.8347   7.6515   16.964   10.712   0.3679   10.933   74.533   23.670   50.030   21.736 24.50242 32.13567 
1 1 1    1   29   26 o   42.630   13.891  -6.3255   7.4279  -8.3690   10.346  -4.1520   10.670   40.454   18.935   44.806   20.330 -4.352077 27.78252 
1 1 1    1   29   27 o  186.471   12.682   97.352   12.778   0.0000   0.0000   97.352   12.778  ?   ?   186.471   12.682      ?      ? 
1 1 1    1   29   28 o  219.329   8.0247  133.890   9.5092  130.892   13.322  137.005   13.578  216.814   11.371  221.844   11.327 -5.030167 16.04947 
1 1 1    1   29   29 o  215.129   8.1296  129.223   9.4499  128.042   13.397  130.393   13.331  214.100   11.580  216.158   11.413 -2.057953 16.25919 
1 1 1    1   29   30 o  138.969   10.591   55.200   7.9455   53.194   10.938   57.441   11.560  136.371   14.844  141.568   15.112 -5.197083 21.18286 
1 1 1    1   29   31 o   67.693   14.339   8.9918   7.3293  -6.8349   9.8423   28.694   10.981   40.027   18.647   95.360   21.788 -55.33273 28.67760 
1 1 1    1   29   32 o   67.575   16.912   13.874   7.7012   13.346   10.483   14.493   11.352   66.415   23.443   68.736   24.382 -2.321426 33.82396 
1 1 1    1   29   33 o  260.767   10.444  189.685   14.716   0.0000   0.0000  189.685   14.716  ?   ?   260.767   10.444      ?      ? 
1 1 1    1   29   34 o  122.581   12.144   44.261   8.0383   44.192   11.160   44.336   11.588  122.680   16.835  122.483   17.508 0.1972961 24.28854 
1 1 1    1   29   35 o   89.360   16.450   26.449   8.0769   30.280   11.477   22.689   11.369   96.411   22.449   82.309   24.051 14.10170 32.89957 
1 1 1    1   29   36 o   59.575   14.966   4.9964   7.7003 -11.4078   10.825   21.798   10.955   38.437   18.390   80.713   23.617 -42.27570 29.93204 
1 1 1    1   29   37 o  207.890   8.5309  123.778   9.5341  112.174   13.654  134.819   13.319  197.668   12.783  218.111   11.300 -20.44347 17.06187 
1 1 1    1   29   38 o  120.137   13.363   46.446   8.1236   33.666   11.652   58.531   11.331   99.928   22.160  140.346   14.942 -40.41763 26.72678 
1 1 1    1   29   39 o   83.428   16.000   24.286   8.0445   13.104   11.688   34.350   11.089   64.208   24.398  102.647   20.706 -38.43809 31.99978 
1 1 1    1   29   40 o   50.115   16.931  -8.5241   10.037  -1.2376   21.907 -10.4602   11.292   60.572   28.082   39.658   18.921 20.91428 33.86150 
1 1 1    1   29   41 o   82.371   19.203   27.972   11.735   6.1396   21.186   37.635   14.095   62.952   28.596  101.789   25.639 -38.83715 38.40659 
1 1 1    1   29   42 o   72.661   20.131   19.577   11.131   42.432   19.855   9.1014   13.442   89.487   32.192   55.836   24.180 33.65131 40.26100 
1 1 1    1   29   43 o  102.774   17.371   48.263   11.863   14.457   20.814   64.527   14.437   65.138   29.068  140.411   19.028 -75.27393 34.74152 
1 1 1    1   29   44 o   39.911   13.270  -6.2686   7.4245 -12.3489   10.259   0.4185   10.759   34.814   16.955   45.007   20.419 -10.19234 26.54034 
1 1 1    1   29   45 o  120.052   12.216   47.671   7.9056   46.406   11.431   48.831   10.945  117.602   17.988  122.502   16.534 -4.899292 24.43276 
1 1 1    1   30    0 f   72.382   19.986   15.390   8.0746   0.0000   0.0000   15.390   8.0746  ?   ?    72.382   19.986      ?      ? 
1 1 1    1   30    1 o  217.062   9.1414  128.728   10.722   0.0000   0.0000  128.728   10.722  ?   ?   217.062   9.1414      ?      ? 
1 1 1    1   30    2 o  221.447   16.183  137.169   19.365   0.0000   0.0000  137.169   19.365  ?   ?   221.447   16.183      ?      ? 
1 1 1    1   30    3 o  218.781   8.2059  130.501   9.7011   0.0000   0.0000  130.501   9.7011  ?   ?   218.781   8.2059      ?      ? 
1 1 1    1   30    4 o   71.258   19.588   14.902   7.7760   0.0000   0.0000   14.902   7.7760  ?   ?    71.258   19.588      ?      ? 
1 1 1    1   30    5 o  177.631   9.6666   86.342   9.2786   0.0000   0.0000   86.342   9.2786  ?   ?   177.631   9.6666      ?      ? 
1 1 1    1   30    6 o  113.350   12.989   35.523   7.9558   0.0000   0.0000   35.523   7.9558  ?   ?   113.350   12.989      ?      ? 
1 1 1    1   30    7 o   93.792   15.257   24.539   7.7326   0.0000   0.0000   24.539   7.7326  ?   ?    93.792   15.257      ?      ? 
1 1 1    1   30    8 o  130.375   11.848   46.834   8.3471   0.0000   0.0000   46.834   8.3471  ?   ?   130.375   11.848      ?      ? 
1 1 1    1   30    9 o  134.007   11.679   49.467   8.4573   0.0000   0.0000   49.467   8.4573  ?   ?   134.007   11.679      ?      ? 
1 1 1    1   30   10 o  110.917   13.471   34.117   8.0739   0.0000   0.0000   34.117   8.0739  ?   ?   110.917   13.471      ?      ? 
1 1 1    1   30   11 o   54.330   19.554   7.3725   7.3263   0.0000   0.0000   7.3725   7.3263  ?   ?    54.330   19.554      ?      ? 
1 1 1    1   30   12 o   65.243   19.570   12.377   7.4479   0.0000   0.0000   12.377   7.4479  ?   ?    65.243   19.570      ?      ? 
1 1 1    1   30   13 o  183.834   8.2289   92.774   7.7464   94.797   13.321   91.740   9.5219  184.734   13.344  182.933   9.6326 1.801926 16.45784 
1 1 1    1   30   14 o  107.841   13.141   33.553   6.9398   34.077   12.290   33.308   8.4087  106.465   22.086  109.216   14.248 -2.751785 26.28298 
1 1 1    1   30   15 o  100.409   13.284   26.748   6.8058   40.338   11.846   20.053   8.3149  118.727   18.465   82.091   19.103 36.63574 26.56851 
1 1 1    1   30   16 o   68.917   17.476   11.769   8.0967   7.9028   10.133   18.597   13.467   58.990   22.644   78.843   26.626 -19.85271 34.95263 
1 1 1    1   30   17 o  111.591   14.830   37.161   8.6012   39.910   12.612   34.771   11.760  115.523   20.976  107.659   20.970 7.864227 29.66010 
1 1 1    1   30   18 f   85.356   14.861   21.016   8.0170   37.297   11.439   5.2966   11.239  113.843   18.594   56.870   23.188 56.97285 29.72217 
1 1 1    1   30   19 o   75.105   14.439   15.844   7.4908   30.725   10.240  -1.2837   10.986  101.615   19.356   48.596   21.432 53.01976 28.87856 
1 1 1    1   30   20 o  161.112   9.9557   72.771   8.6241   63.355   11.871   83.294   12.550  149.843   14.661  172.381   13.473 -22.53821 19.91136 
1 1 1    1   30   21 o   62.142   16.853   9.4187   7.9053   9.3899   10.637   9.4542   11.815   61.396   23.288   62.887   24.367 -1.490921 33.70579 
1 1 1    1   30   22 o   58.722   16.507   7.0482   7.9217   9.6985   10.966   4.1554   11.456   62.171   23.630   55.273   23.057 6.897598 33.01469 
1 1 1    1   30   23 o  141.889   11.151   57.452   8.5487   56.748   12.105   58.152   12.074  140.963   15.892  142.815   15.646 -1.851761 22.30137 
1 1 1    1   30   25 o  148.983   10.839   63.748   8.6733   70.545   12.171   56.734   12.363  157.628   14.289  140.338   16.303 17.28996 21.67854 
1 1 1    1   30   26 o  113.829   13.441   39.273   7.9239   43.465   10.714   34.212   11.773  122.710   16.157  104.948   21.483 17.76283 26.88125 
1 1 1    1   30   27 o   59.484   16.143   7.9247   7.4863   2.8647   10.124   14.030   11.120   50.666   21.436   68.302   24.142 -17.63656 32.28552 
1 1 1    1   30   28 o  127.719   12.028   47.770   8.2932   45.555   11.732   49.982   11.724  124.508   17.438  130.930   16.571 -6.422005 24.05614 
1 1 1    1   30   29 o   75.390   16.497   18.306   7.6153   22.840   10.529   13.334   11.028   84.148   22.654   66.632   23.989 17.51653 32.99461 
1 1 1    1   30   30 o  110.502   13.641   36.952   7.9827   35.607   11.031   38.430   11.567  107.589   19.700  113.415   18.873 -5.826050 27.28163 
1 1 1    1   30   31 o   46.859   14.655  -2.5121   7.7043   4.9086   10.677 -10.5717   11.128   53.736   22.324   39.983   18.992 13.75259 29.30968 
1 1 1    1   30   32 o   44.029   14.190  -3.7867   7.5353  -0.5866   10.192  -7.6454   11.191   46.112   20.473   41.947   19.653 4.164383 28.37963 
1 1 1    1   30   33 o   78.708   16.799   20.480   7.8177   16.490   10.690   25.068   11.462   70.991   23.723   86.424   23.792 -15.43298 33.59860 
1 1 1    1   30   34 o  129.851   12.918   51.954   8.2713   32.005   11.321   74.796   12.114   99.074   21.743  160.628   13.957 -61.55360 25.83678 
1 1 1    1   30   35 o   41.977   13.727  -5.0054   7.3909  -8.7711   10.300  -1.0085   10.612   38.452   18.267   45.501   20.494 -7.049137 27.45358 
1 1 1    1   30   36 o   99.859   14.867   32.389   7.9945   21.368   10.839   45.537   11.839   78.233   23.640  121.484   18.035 -43.25085 29.73418 
1 1 1    1   30   37 o   44.989   15.156  -9.8826   9.8117 -31.3288   20.012  -3.0956   11.258   44.900   22.221   45.079   20.618 -0.1785011 30.31290 
1 1 1    1   30   38 f  150.019   18.061   89.061   13.657   31.644   20.378  135.878   18.401   86.996   32.394  213.042   15.984 -126.0463 36.12295 
1 1 1    1   30   39 o   89.063   19.426   35.636   11.988   16.860   19.391   47.252   15.253   66.855   28.996  111.271   25.859 -44.41560 38.85218 
1 1 1    1   30   40 o   60.062   18.224   11.021   11.791  -6.6959   19.527   21.187   14.792   50.414   24.270   69.709   27.194 -19.29452 36.44875 
1 1 1    1   30   41 o  103.053   14.627   37.930   8.1057   55.249   11.381   20.100   11.548  133.739   15.748   72.367   24.655 61.37173 29.25477 
1 1 1    1   30   42 o   76.927   14.526   21.005   8.0109   1.2323   11.330   40.773   11.328   45.999   20.901  107.855   20.179 -61.85680 29.05279 
1 1 1    1   31    0 o   61.547   19.897   10.784   7.5444   0.0000   0.0000   10.784   7.5444  ?   ?    61.547   19.897      ?      ? 
1 1 1    1   31    1 o  105.469   13.779   31.017   7.8528   0.0000   0.0000   31.017   7.8528  ?   ?   105.469   13.779      ?      ? 
1 1 1    1   31    2 o   99.247   14.990   27.627   8.0391   0.0000   0.0000   27.627   8.0391  ?   ?    99.247   14.990      ?      ? 
1 1 1    1   31    3 o  129.067   11.726   46.067   8.1782   0.0000   0.0000   46.067   8.1782  ?   ?   129.067   11.726      ?      ? 
1 1 1    1   31    4 o   80.269   18.308   19.074   7.7652   0.0000   0.0000   19.074   7.7652  ?   ?    80.269   18.308      ?      ? 
1 1 1    1   31    5 o   56.248   20.159   8.1613   7.7790   0.0000   0.0000   8.1613   7.7790  ?   ?    56.248   20.159      ?      ? 
1 1 1    1   31    6 o  114.683   13.055   36.615   8.0903   0.0000   0.0000   36.615   8.0903  ?   ?   114.683   13.055      ?      ? 
1 1 1    1   31    7 o  132.193   11.579   48.360   8.2710   0.0000   0.0000   48.360   8.2710  ?   ?   132.193   11.579      ?      ? 
1 1 1    1   31    8 o   56.578   19.777   8.5702   7.4483   0.0000   0.0000   8.5702   7.4483  ?   ?    56.578   19.777      ?      ? 
1 1 1    1   31    9 o   38.296   17.090  -2.2073   7.1953   0.0000   0.0000  -2.2073   7.1953  ?   ?    38.296   17.090      ?      ? 
1 1 1    1   31   10 o   71.916   20.032   15.497   8.0735   0.0000   0.0000   15.497   8.0735  ?   ?    71.916   20.032      ?      ? 
1 1 1    1   31   11 f  136.880   11.377   51.861   8.4148   0.0000   0.0000   51.861   8.4148  ?   ?   136.880   11.377      ?      ? 
1 1 1    1   31   12 o  176.058   10.099   85.397   9.6080   0.0000   0.0000   85.397   9.6080  ?   ?   176.058   10.099      ?      ? 
1 1 1    1   31   13 o   77.937   17.852   18.070   7.3569   0.0000   0.0000   18.070   7.3569  ?   ?    77.937   17.852      ?      ? 
1 1 1    1   31   14 o   54.219   15.191   4.7345   6.5660   10.110   10.593   1.3801   8.3673   62.639   23.349   45.799   19.439 16.84036 30.38161 
1 1 1    1   31   15 o  218.403   9.9332  134.281   11.715  132.095   16.219  136.667   16.939  216.668   13.853  220.138   14.239 -3.470123 19.86635 
1 1 1    1   31   16 o   41.205   13.410  -5.1309   6.5406  -4.9392   11.091  -5.2331   8.0989   45.048   20.550   37.363   17.235 7.684834 26.82068 
1 1 1    1   31   17 f   82.377   15.095   19.211   8.1620   2.0248   11.295   37.992   11.808   52.464   22.434  112.290   20.203 -59.82596 30.18992 
1 1 1    1   31   18 o   66.355   17.294   11.818   8.1754   9.5028   11.044   14.624   12.160   61.900   23.669   70.810   25.222 -8.910488 34.58873 
1 1 1    1   31   19 o  147.528   11.186   62.118   8.8125   50.475   12.134   75.112   12.819  132.306   16.973  162.749   14.577 -30.44231 22.37291 
1 1 1    1   31   21 o  176.537   13.523   88.141   12.900   0.0000   0.0000   88.141   12.900  ?   ?   176.537   13.523      ?      ? 
1 1 1    1   31   22 o   71.383   16.879   15.858   7.7023   17.668   10.203   13.458   11.745   74.867   23.000   67.899   24.710 6.967995 33.75787 
1 1 1    1   31   23 o   61.759   15.498   8.8865   7.6828   19.133   10.160  -4.8001   11.742   77.534   22.759   45.984   21.042 31.54917 30.99534 
1 1 1    1   31   24 o   91.340   16.510   26.750   8.3009   20.464   11.375   33.912   12.141   79.343   24.271  103.336   22.390 -23.99286 33.02057 
1 1 1    1   31   25 o  108.357   14.615   36.634   8.3026   43.641   11.624   29.336   11.863  121.543   17.699   95.171   23.263 26.37150 29.23043 
1 1 1    1   31   26 o   48.937   15.109   0.6286   7.5151  -0.6519   10.124   2.1999   11.215   46.347   20.500   51.528   22.200 -5.180725 30.21741 
1 1 1    1   31   27 o   42.374   13.839  -7.4389   7.5109 -13.3904   10.142  -0.2112   11.177   35.912   17.339   48.835   21.573 -12.92286 27.67739 
1 1 1    1   31   28 o   69.331   17.223   14.881   8.1101   10.924   11.198   19.246   11.762   62.458   23.845   76.203   24.859 -13.74559 34.44622 
1 1 1    1   31   29 o  168.794   9.7892   82.587   8.8663   90.182   12.298   74.367   12.794  177.684   12.809  159.904   14.807 17.77956 19.57833 
1 1 1    1   31   30 o   82.854   17.371   23.306   8.3241   23.086   11.386   23.558   12.200   82.745   24.037   82.963   25.084 -0.2174530 34.74200 
1 1 1    1   31   31 o  125.320   12.279   47.592   8.2618   50.473   11.354   44.349   12.044  130.269   16.130  120.370   18.517 9.898567 24.55709 
1 1 1    1   31   32 o  129.041   13.113   52.108   8.6152   37.772   11.850   68.179   12.547  106.951   21.254  151.130   15.364 -44.17877 26.22525 
1 1 1    1   31   33 o   55.092   16.347   6.2373   8.2280   4.0959   11.300   8.6539   12.004   51.977   22.338   58.206   23.874 -6.229031 32.69490 
1 1 1    1   31   34 o   64.144   19.378   7.0952   13.170 -12.8086   20.961   20.077   16.928   53.446   25.575   74.843   29.120 -21.39741 38.75673 
1 1 1    1   31   35 o   66.005   20.033   10.860   13.040   4.5405   19.823   15.680   17.314   62.084   27.983   69.925   28.676 -7.841255 40.06628 
1 1 1    1   31   36 o   66.119   19.451   9.3837   12.049   31.847   19.281  -5.0090   15.434   83.438   31.423   48.801   22.933 34.63711 38.90161 
1 1 1    1   31   37 o   52.327   16.036   5.9209   8.9834   12.387   11.201  -5.7342   15.039   58.675   23.423   45.978   21.908 12.69781 32.07161 
1 1 1    1   31   38 o   47.206   14.876   1.6281   7.7355   4.0273   10.708  -0.9905   11.187   49.324   21.470   45.087   20.596 4.236969 29.75180 
1 1 1    1   31   39 o  138.331   17.138   61.477   12.811   0.0000   0.0000   61.477   12.811  ?   ?   138.331   17.138      ?      ? 
1 1 1    1   31   40 o   76.276   16.973   24.029   7.9241   27.312   11.022   20.518   11.400   82.740   23.534   69.813   24.463 12.92707 33.94558 
1 1 1    1   32    0 f   41.513   18.056  -0.3193   7.5619   0.0000   0.0000  -0.3193   7.5619  ?   ?    41.513   18.056      ?      ? 
1 1 1    1   32    1 o   45.056   18.869   1.9525   7.7155   0.0000   0.0000   1.9525   7.7155  ?   ?    45.056   18.869      ?      ? 
1 1 1    1   32    2 o  206.096   17.074  121.933   19.015   0.0000   0.0000  121.933   19.015  ?   ?   206.096   17.074      ?      ? 
1 1 1    1   32    3 o  108.845   13.527   33.272   7.9563   0.0000   0.0000   33.272   7.9563  ?   ?   108.845   13.527      ?      ? 
1 1 1    1   32    4 o   80.652   18.477   19.531   7.8795   0.0000   0.0000   19.531   7.8795  ?   ?    80.652   18.477      ?      ? 
1 1 1    1   32    5 o   38.322   17.267  -2.8494   7.5404   0.0000   0.0000  -2.8494   7.5404  ?   ?    38.322   17.267      ?      ? 
1 1 1    1   32    6 o  106.562   13.454   31.905   7.7469   0.0000   0.0000   31.905   7.7469  ?   ?   106.562   13.454      ?      ? 
1 1 1    1   32    7 o   68.051   19.104   13.947   7.3132   0.0000   0.0000   13.947   7.3132  ?   ?    68.051   19.104      ?      ? 
1 1 1    1   32    8 o   51.936   19.677   6.3032   7.5890   0.0000   0.0000   6.3032   7.5890  ?   ?    51.936   19.677      ?      ? 
1 1 1    1   32    9 o   35.499   16.557  -6.2859   7.7958   0.0000   0.0000  -6.2859   7.7958  ?   ?    35.499   16.557      ?      ? 
1 1 1    1   32   10 o  106.057   13.508   31.639   7.7414   0.0000   0.0000   31.639   7.7414  ?   ?   106.057   13.508      ?      ? 
1 1 1    1   32   11 o  107.732   13.771   32.715   8.0168   0.0000   0.0000   32.715   8.0168  ?   ?   107.732   13.771      ?      ? 
1 1 1    1   32   12 o  127.622   11.404   45.339   7.8648   0.0000   0.0000   45.339   7.8648  ?   ?   127.622   11.404      ?      ? 
1 1 1    1   32   13 f  203.078   9.4695  113.826   10.391   0.0000   0.0000  113.826   10.391  ?   ?   203.078   9.4695      ?      ? 
1 1 1    1   32   14 o   71.204   26.640   14.511   13.814   0.0000   0.0000   14.511   13.814  ?   ?    71.204   26.640      ?      ? 
1 1 1    1   32   15 o   75.268   15.790   14.611   6.7215   28.198   12.235   8.7374   8.0441   93.758   24.036   56.778   20.482 36.98038 31.57953 
1 1 1    1   32   16 o  124.782   11.019   43.134   7.1213   50.563   12.269   39.360   8.7450  131.753   17.234  117.810   13.737 13.94345 22.03854 
1 1 1    1   32   17 o  245.718   8.0128  167.915   10.177  171.824   17.145  165.788   12.646  246.729   12.859  244.707   9.5632 2.022110 16.02555 
1 1 1    1   32   18 o   57.170   14.808   3.5066   7.7314   18.397   10.328 -15.4748   11.661   75.993   23.102   38.346   18.533 37.64740 29.61680 
1 1 1    1   32   19 o  111.621   14.372   40.644   8.0853   52.700   10.811   25.344   12.179  135.458   14.770   87.784   24.658 47.67415 28.74327 
1 1 1    1   32   20 o  135.353   11.577   54.154   8.3235   60.162   11.289   46.996   12.321  144.811   14.426  125.894   18.112 18.91722 23.15494 
1 1 1    1   32   21 o  102.590   14.866   32.923   7.9492   31.864   10.855   34.148   11.673  101.058   20.578  104.122   21.460 -3.064316 29.73197 
1 1 1    1   32   22 o   43.617   13.982  -6.4252   7.4019 -14.4355   10.031   3.1512   10.968   35.034   16.994   52.201   22.208 -17.16664 27.96407 
1 1 1    1   32   23 f   68.036   16.846   14.307   7.7000   16.224   10.570   12.139   11.240   71.363   23.580   64.709   24.065 6.654182 33.69178 
1 1 1    1   32   24 o   73.106   14.699   15.706   7.6336   30.689   10.495  -1.1243   11.123   98.727   20.349   47.485   21.215 51.24206 29.39714 
1 1 1    1   32   25 o  167.017   10.032   80.764   8.9686   94.469   12.866   67.810   12.508  181.624   13.110  152.410   15.188 29.21449 20.06320 
1 1 1    1   32   26 o   46.439   14.589  -0.3933   7.2638   0.1945   9.5283  -1.2088   11.224   45.520   20.021   47.358   21.224 -1.838615 29.17739 
1 1 1    1   32   27 o   93.091   15.995   28.648   7.9035   28.083   10.424   29.412   12.122   93.037   21.205   93.145   23.951 -0.1083603 31.98917 
1 1 1    1   32   28 o   63.380   17.119   12.524   8.1342   11.436   10.986   13.843   12.101   61.345   23.571   65.414   24.833 -4.069229 34.23835 
1 1 1    1   32   29 o   51.100   15.479   1.2242   7.9982  -6.8564   10.711   11.408   12.025   40.640   19.100   61.561   24.365 -20.92091 30.95885 
1 1 1    1   32   30 o   77.601   21.647   22.716   14.126   11.209   22.281   30.450   18.266   68.333   30.308   86.870   30.916 -18.53690 43.29448 
1 1 1    1   32   31 f  237.851   13.088  168.424   16.535  210.608   26.447  141.351   21.187  261.115   18.743  214.586   18.272 46.52890 26.17569 
1 1 1    1   32   32 o   42.651   14.965 -30.9811   12.974 -27.1622   19.313 -34.1216   17.514   45.152   22.248   40.150   20.021 5.002163 29.93024 
1 1 1    1   32   33 o   68.592   20.358   18.336   12.874   14.559   19.322   21.351   17.264   65.471   28.661   71.712   28.919 -6.241112 40.71561 
1 1 1    1   32   34 o   48.483   14.983   2.8874   7.8996   10.281   10.808  -5.5934   11.575   55.732   22.732   41.235   19.524 14.49747 29.96580 
1 1 1    1   32   35 o   67.256   16.340   15.034   7.8478   5.6104   10.590   26.514   11.688   50.986   21.760   83.526   24.381 -32.53984 32.67908 
1 1 1    1   32   36 o   96.155   15.195   33.655   8.3330   18.227   11.641   49.871   11.934   68.207   24.634  124.102   17.796 -55.89494 30.38973 
1 1 1    1   32   37 o   53.286   15.364   5.6699   8.0441  -7.6762   11.390   18.951   11.362   39.119   18.755   67.453   24.341 -28.33435 30.72843 
1 1 1    1   33    0 o  125.621   12.453   44.318   8.4535   0.0000   0.0000   44.318   8.4535  ?   ?   125.621   12.453      ?      ? 
1 1 1    1   33    1 o   87.158   18.038   22.880   8.2153   0.0000   0.0000   22.880   8.2153  ?   ?    87.158   18.038      ?      ? 
1 1 1    1   33    2 f  223.114   17.139  144.597   20.664   0.0000   0.0000  144.597   20.664  ?   ?   223.114   17.139      ?      ? 
1 1 1    1   33    3 f  108.388   13.931   33.323   8.1595   0.0000   0.0000   33.323   8.1595  ?   ?   108.388   13.931      ?      ? 
1 1 1    1   33    4 o   96.609   15.685   26.822   8.1883   0.0000   0.0000   26.822   8.1883  ?   ?    96.609   15.685      ?      ? 
1 1 1    1   33    5 o   69.625   19.762   14.882   7.7806   0.0000   0.0000   14.882   7.7806  ?   ?    69.625   19.762      ?      ? 
1 1 1    1   33    6 o   29.284   14.239 -11.4730   7.1574   0.0000   0.0000 -11.4730   7.1574  ?   ?    29.284   14.239      ?      ? 
1 1 1    1   33    7 o  108.287   13.604   33.242   7.9606   0.0000   0.0000   33.242   7.9606  ?   ?   108.287   13.604      ?      ? 
1 1 1    1   33    8 o  118.814   12.132   39.654   7.7890   0.0000   0.0000   39.654   7.7890  ?   ?   118.814   12.132      ?      ? 
1 1 1    1   33    9 o   91.384   16.459   24.810   7.8288   0.0000   0.0000   24.810   7.8288  ?   ?    91.384   16.459      ?      ? 
1 1 1    1   33   10 o   44.997   18.560   2.8561   7.3050   0.0000   0.0000   2.8561   7.3050  ?   ?    44.997   18.560      ?      ? 
1 1 1    1   33   11 o   68.930   19.665   14.690   7.6843   0.0000   0.0000   14.690   7.6843  ?   ?    68.930   19.665      ?      ? 
1 1 1    1   33   12 o  177.622   9.7530   87.597   9.3610   0.0000   0.0000   87.597   9.3610  ?   ?   177.622   9.7530      ?      ? 
1 1 1    1   33   14 o   54.680   19.937   8.1163   7.6513   0.0000   0.0000   8.1163   7.6513  ?   ?    54.680   19.937      ?      ? 
1 1 1    1   33   15 o  169.383   10.388   80.016   9.5079   0.0000   0.0000   80.016   9.5079  ?   ?   169.383   10.388      ?      ? 
1 1 1    1   33   16 o   61.972   13.839   11.577   6.5578  -7.9234   12.184   19.529   7.7809   44.219   20.649   79.724   18.430 -35.50417 27.67771 
1 1 1    1   33   17 o   49.616   14.505   0.0153   6.5396   11.295   10.830  -6.4577   8.2041   63.171   23.597   36.061   16.874 27.11000 29.00937 
1 1 1    1   33   18 o   61.939   15.815   10.421   6.4399   14.615   11.350   8.4295   7.8207   68.582   24.374   55.297   20.158 13.28527 31.62932 
1 1 1    1   33   19 o   36.257   12.446 -17.9254   7.9169  -7.7748   10.717 -30.1171   11.745   40.873   19.176   31.642   15.870 9.231365 24.89118 
1 1 1    1   33   20 o   74.382   16.692   18.478   7.8207   23.037   10.480   12.749   11.748   83.584   22.643   65.180   24.532 18.40418 33.38439 
1 1 1    1   33   21 o  174.068   9.8756   87.503   9.2791   88.184   12.869   86.765   13.392  175.059   13.604  173.076   14.319 1.983093 19.75115 
1 1 1    1   33   22 o   59.376   16.781   8.9718   8.1400   9.7683   10.988   8.0029   12.119   59.997   23.428   58.756   24.031 1.240906 33.56142 
1 1 1    1   33   23 o  216.451   12.417  134.300   14.524   0.0000   0.0000  134.300   14.524  ?   ?   216.451   12.417      ?      ? 
1 1 1    1   33   24 f   85.561   14.749   21.621   8.0139   5.9647   10.445   44.024   12.495   53.039   22.061  118.083   19.582 -65.04393 29.49812 
1 1 1    1   33   25 o   79.067   21.561   21.265   11.133   35.428   24.578   17.609   12.487   87.440   34.762   70.695   25.517 16.74472 43.12185 
1 1 1    1   33   26 o   77.279   21.772   12.173   14.992   48.063   24.333  -9.7883   19.034  102.184   35.745   52.373   24.867 49.81046 43.54357 
1 1 1    1   33   27 o   62.695   19.900   2.5780   14.806 -13.7522   22.459   15.131   19.691   54.797   26.288   70.593   29.883 -15.79597 39.80003 
1 1 1    1   33   28 o  104.128   23.162   44.926   14.488   47.523   21.573   42.793   19.554  105.812   33.588  102.443   31.903 3.369446 46.32433 
1 1 1    1   33   29 o   67.116   20.316   12.462   13.415   24.550   19.911   2.4144   18.154   76.809   31.028   57.424   26.233 19.38472 40.63149 
1 1 1    1   33   30 o   66.696   17.807   17.455   8.7754   13.869   11.769   21.945   13.169   61.215   24.143   72.178   26.181 -10.96287 35.61389 
1 1 1    1   33   31 o   40.777   13.591  -6.0472   7.9151  -1.1184   10.724 -11.9462   11.732   43.657   20.025   37.898   18.381 5.759762 27.18245 
1 1 1    1   33   32 o   91.262   16.786   30.679   8.3237   29.674   11.198   31.919   12.443   90.506   22.884   92.017   24.564 -1.511406 33.57196 
1 1 1    1   33   33 o   47.079   14.973   1.7700   8.0234   4.4260   11.336  -0.8961   11.358   49.527   21.810   44.630   20.522 4.897812 29.94697 
1 1 1    1   33   34 o   37.900   12.895  -8.5510   7.7897  -6.2078   10.514 -11.4028   11.599   38.539   18.351   37.262   18.120 1.277901 25.78917 
1 1 1    1   34    0 o   51.312   19.986   6.0307   7.9805   0.0000   0.0000   6.0307   7.9805  ?   ?    51.312   19.986      ?      ? 
1 1 1    1   34    1 o   67.381   19.771   14.085   7.6687   0.0000   0.0000   14.085   7.6687  ?   ?    67.381   19.771      ?      ? 
1 1 1    1   34    2 o  116.045   13.065   38.235   8.1924   0.0000   0.0000   38.235   8.1924  ?   ?   116.045   13.065      ?      ? 
1 1 1    1   34    3 o   39.291   17.572  -1.8469   7.6502   0.0000   0.0000  -1.8469   7.6502  ?   ?    39.291   17.572      ?      ? 
1 1 1    1   34    4 o   83.851   18.057   21.466   7.9400   0.0000   0.0000   21.466   7.9400  ?   ?    83.851   18.057      ?      ? 
1 1 1    1   34    5 f   31.876   15.148  -7.6703   7.0935   0.0000   0.0000  -7.6703   7.0935  ?   ?    31.876   15.148      ?      ? 
1 1 1    1   34    6 o   79.555   18.638   19.498   7.8718   0.0000   0.0000   19.498   7.8718  ?   ?    79.555   18.638      ?      ? 
1 1 1    1   34    7 o   53.828   19.300   7.9758   7.1308   0.0000   0.0000   7.9758   7.1308  ?   ?    53.828   19.300      ?      ? 
1 1 1    1   34    8 o   37.328   16.938  -2.9726   7.4070   0.0000   0.0000  -2.9726   7.4070  ?   ?    37.328   16.938      ?      ? 
1 1 1    1   34    9 o   56.873   19.795   9.3488   7.4584   0.0000   0.0000   9.3488   7.4584  ?   ?    56.873   19.795      ?      ? 
1 1 1    1   34   10 o   59.676   20.226   10.651   7.7710   0.0000   0.0000   10.651   7.7710  ?   ?    59.676   20.226      ?      ? 
1 1 1    1   34   11 o   68.428   19.760   14.726   7.7148   0.0000   0.0000   14.726   7.7148  ?   ?    68.428   19.760      ?      ? 
1 1 1    1   34   12 o   37.850   18.443 -17.6698   12.185   0.0000   0.0000 -17.6698   12.185  ?   ?    37.850   18.443      ?      ? 
1 1 1    1   34   13 o   44.914   19.108   2.0062   8.1197   0.0000   0.0000   2.0062   8.1197  ?   ?    44.914   19.108      ?      ? 
1 1 1    1   34   14 o  111.123   13.375   35.461   8.0315   0.0000   0.0000   35.461   8.0315  ?   ?   111.123   13.375      ?      ? 
1 1 1    1   34   15 o  203.573   8.9397  115.123   9.8340   0.0000   0.0000  115.123   9.8340  ?   ?   203.573   8.9397      ?      ? 
1 1 1    1   34   16 o   62.376   21.159   12.109   8.5048   0.0000   0.0000   12.109   8.5048  ?   ?    62.376   21.159      ?      ? 
1 1 1    1   34   17 o  104.414   14.132   31.089   7.1285   45.270   13.516   25.624   8.3904  117.885   22.027   90.943   17.710 26.94229 28.26411 
1 1 1    1   34   18 o   42.447   13.291  -3.2237   6.8680 -22.1734   12.289   5.3838   8.2822   35.413   17.505   49.480   20.003 -14.06755 26.58112 
1 1 1    1   34   19 o  107.187   13.903   34.405   7.3321   43.761   13.459   30.456   8.7433  113.861   22.672  100.514   16.098 13.34698 27.80597 
1 1 1    1   34   20 o   57.985   24.157   8.1926   12.554   0.0000   0.0000   8.1926   12.554  ?   ?    57.985   24.157      ?      ? 
1 1 1    1   34   21 o   58.517   19.376  -3.8370   15.365  -6.3063   21.888  -1.4378   21.575   57.362   27.065   59.672   27.735 -2.309921 38.75220 
1 1 1    1   34   22 f   44.239   15.659 -42.6366   15.454 -38.7162   23.337 -45.6982   20.623   46.951   23.364   41.526   20.855 5.425377 31.31799 
1 1 1    1   34   23 o   99.863   22.948   37.674   15.374   66.441   24.043   17.775   19.997  126.532   34.304   73.195   30.491 53.33662 45.89578 
1 1 1    1   34   24 o   49.319   17.036 -22.6026   15.027 -32.5676   23.305 -15.5113   19.659   48.412   23.962   50.225   24.222 -1.812801 34.07193 
1 1 1    1   34   25 o   66.339   18.515   4.3876   9.9833  -8.6853   11.758   38.153   18.897   40.761   19.408   91.917   31.537 -51.15670 37.03014 
1 1 1    1   34   26 o   53.113   14.911   3.4513   8.0265   19.354   10.901 -15.3757   11.862   70.009   23.954   36.217   17.763 33.79247 29.82180 
1 1 1    1   34   27 o   41.522   13.658  -6.0532   7.9151   3.5022   10.646 -17.8629   11.835   47.933   21.120   35.111   17.322 12.82197 27.31557 
1 1 1    1   34   28 o   65.596   17.297   15.705   8.2000   13.499   11.043   18.416   12.243   61.975   23.675   69.217   25.223 -7.241802 34.59312 
1 1 1    1   34   29 o   76.065   17.386   22.682   8.1661   20.242   11.261   25.388   11.859   71.940   24.348   80.191   24.824 -8.250801 34.77140 
1 1 1    1   34   30 o   59.201   16.840   12.982   8.2598   10.166   11.199   16.342   12.232   55.128   22.879   63.274   24.716 -8.145977 33.67994 
1 1 1    1   35    0 o   55.500   20.463   8.6294   8.0921   0.0000   0.0000   8.6294   8.0921  ?   ?    55.500   20.463      ?      ? 
1 1 1    1   35    1 o   48.887   19.999   4.4468   8.3957   0.0000   0.0000   4.4468   8.3957  ?   ?    48.887   19.999      ?      ? 
1 1 1    1   35    2 o  114.412   14.120   37.872   8.7297   0.0000   0.0000   37.872   8.7297  ?   ?   114.412   14.120      ?      ? 
1 1 1    1   35    3 o  197.846   9.3917  109.086   10.041   0.0000   0.0000  109.086   10.041  ?   ?   197.846   9.3917      ?      ? 
1 1 1    1   35    4 o   95.358   17.238   27.764   8.5556   0.0000   0.0000   27.764   8.5556  ?   ?    95.358   17.238      ?      ? 
1 1 1    1   35    5 o   43.679   18.896   1.0555   8.1922   0.0000   0.0000   1.0555   8.1922  ?   ?    43.679   18.896      ?      ? 
1 1 1    1   35    6 o   65.710   20.637   13.789   8.1627   0.0000   0.0000   13.789   8.1627  ?   ?    65.710   20.637      ?      ? 
1 1 1    1   35    7 o  112.916   14.071   37.042   8.5855   0.0000   0.0000   37.042   8.5855  ?   ?   112.916   14.071      ?      ? 
1 1 1    1   35    8 o   71.546   19.653   16.502   7.8309   0.0000   0.0000   16.502   7.8309  ?   ?    71.546   19.653      ?      ? 
1 1 1    1   35    9 o   57.009   20.594   9.7766   8.1363   0.0000   0.0000   9.7766   8.1363  ?   ?    57.009   20.594      ?      ? 
1 1 1    1   35   10 o   86.178   18.918   23.790   8.5684   0.0000   0.0000   23.790   8.5684  ?   ?    86.178   18.918      ?      ? 
1 1 1    1   35   11 o   58.582   24.151   8.8385   12.363   0.0000   0.0000   8.8385   12.363  ?   ?    58.582   24.151      ?      ? 
1 1 1    1   35   12 o  193.623   10.360  106.183   10.839   0.0000   0.0000  106.183   10.839  ?   ?   193.623   10.360      ?      ? 
1 1 1    1   35   13 o   64.749   21.013   13.819   8.4080   0.0000   0.0000   13.819   8.4080  ?   ?    64.749   21.013      ?      ? 
1 1 1    1   35   14 f   36.906   16.965  -3.5592   7.7529   0.0000   0.0000  -3.5592   7.7529  ?   ?    36.906   16.965      ?      ? 
1 1 1    1   35   15 o   46.661   20.076   2.3149   9.1465   0.0000   0.0000   2.3149   9.1465  ?   ?    46.661   20.076      ?      ? 
1 1 1    1   35   17 o  205.610   12.364  121.323   13.738   0.0000   0.0000  121.323   13.738  ?   ?   205.610   12.364      ?      ? 
1 1 1    1   35   18 o   34.808   16.970 -14.9791   10.356   0.0000   0.0000 -14.9791   10.356  ?   ?    34.808   16.970      ?      ? 
1 1 1    1   35   19 f  127.885   16.107   49.495   11.130   0.0000   0.0000   49.495   11.130  ?   ?   127.885   16.107      ?      ? 
1 1 1    1   35   20 o  118.863   15.725   49.668   9.3881   46.104   15.451   51.754   11.820  109.430   26.428  128.296   17.050 -18.86566 31.45051 
1 1 1    1   35   21 o   53.868   16.704   6.9807   9.3605   10.074   13.362   3.9994   13.117   56.868   24.361   50.868   22.860 6.000038 33.40722 
1 1 1    1   35   22 o  109.552   15.653   43.383   8.9462   42.913   12.531   43.872   12.776  109.081   22.019  110.023   22.254 -0.9415359 31.30560 
1 1 1    1   35   23 o   53.080   15.877   6.1304   8.2351   11.840   11.040  -1.0329   12.365   59.401   23.398   46.758   21.468 12.64334 31.75413 
1 1 1    1   35   24 o   49.839   15.264   4.2481   7.6981   7.3872   10.439   0.5062   11.397   52.989   22.048   46.689   21.114 6.300877 30.52789 
1 1 1    1   35   25 f   50.923   15.694   5.4794   8.1859   8.3258   11.450   2.5035   11.708   53.835   22.788   48.010   21.584 5.824669 31.38749 
1 1 1    1   35   26 o   46.565   21.190   1.7711   11.700   0.0000   0.0000   1.7711   11.700  ?   ?    46.565   21.190      ?      ? 
1 1 1    1   36    0 o   36.657   17.178  -6.0935   8.5581   0.0000   0.0000  -6.0935   8.5581  ?   ?    36.657   17.178      ?      ? 
1 1 1    1   36    1 o   54.411   20.820   8.1473   8.5492   0.0000   0.0000   8.1473   8.5492  ?   ?    54.411   20.820      ?      ? 
1 1 1    1   36    2 o   40.977   18.285  -0.9442   8.2353   0.0000   0.0000  -0.9442   8.2353  ?   ?    40.977   18.285      ?      ? 
1 1 1    1   36    3 o   56.439   21.286   9.1570   8.8548   0.0000   0.0000   9.1570   8.8548  ?   ?    56.439   21.286      ?      ? 
1 1 1    1   36    4 o  125.176   13.642   45.568   9.2278   0.0000   0.0000   45.568   9.2278  ?   ?   125.176   13.642      ?      ? 
1 1 1    1   36    5 o  136.415   12.460   53.466   9.1844   0.0000   0.0000   53.466   9.1844  ?   ?   136.415   12.460      ?      ? 
1 1 1    1   36    6 o  174.391   10.002   85.515   9.4255   0.0000   0.0000   85.515   9.4255  ?   ?   174.391   10.002      ?      ? 
1 1 1    1   36    7 o   88.692   26.229   28.348   13.450   0.0000   0.0000   28.348   13.450  ?   ?    88.692   26.229      ?      ? 
1 1 1    1   36    8 o  119.925   15.467   42.671   10.023   0.0000   0.0000   42.671   10.023  ?   ?   119.925   15.467      ?      ? 
1 1 1    1   36    9 f   39.962   18.848  -7.7615   10.597   0.0000   0.0000  -7.7615   10.597  ?   ?    39.962   18.848      ?      ? 
1 1 1    1   36   11 o   40.758   19.327  -8.4807   11.427   0.0000   0.0000  -8.4807   11.427  ?   ?    40.758   19.327      ?      ? 
1 1 1    1   36   12 o   87.696   23.233   27.567   11.186   0.0000   0.0000   27.567   11.186  ?   ?    87.696   23.233      ?      ? 
1 1 1    1   36   13 o   52.243   22.181   6.6222   10.901   0.0000   0.0000   6.6222   10.901  ?   ?    52.243   22.181      ?      ? 
1 1 1    1   36   14 o   37.248   17.779  -7.4765   9.9950   0.0000   0.0000  -7.4765   9.9950  ?   ?    37.248   17.779      ?      ? 
1 1 1    1   36   15 o   43.144   18.737   2.6777   8.1178   0.0000   0.0000   2.6777   8.1178  ?   ?    43.144   18.737      ?      ? 
1 1 1    1   36   16 o   52.049   20.194   8.3481   8.1233   0.0000   0.0000   8.3481   8.1233  ?   ?    52.049   20.194      ?      ? 
1 1 1    1   36   17 o  108.809   14.783   36.056   8.6921   0.0000   0.0000   36.056   8.6921  ?   ?   108.809   14.783      ?      ? 
1 1 1    1   36   18 o  119.189   14.349   42.959   9.2413   0.0000   0.0000   42.959   9.2413  ?   ?   119.189   14.349      ?      ? 
1 1 1    1   36   19 o   85.333   16.274   27.094   7.4481   27.455   12.994   26.917   9.0896   81.867   26.076   88.799   19.479 -6.932556 32.54798 
1 1 1    1   36   20 o   61.258   16.352   14.269   7.3013   12.899   12.841   14.924   8.8757   59.291   24.544   63.225   21.615 -3.933521 32.70463 
1 1 1    1   36   21 o  149.204   11.741   72.223   8.4181   71.554   15.604   72.498   9.9977  142.523   20.262  155.885   11.869 -13.36147 23.48204 
1 1 1    1   37    0 o   42.913   20.099  -3.8757   11.689   0.0000   0.0000  -3.8757   11.689  ?   ?    42.913   20.099      ?      ? 
1 1 1    1   37    1 o   62.726   24.391   14.856   11.870   0.0000   0.0000   14.856   11.870  ?   ?    62.726   24.391      ?      ? 
1 1 1    1   37    2 o   72.962   24.828   21.284   11.710   0.0000   0.0000   21.284   11.710  ?   ?    72.962   24.828      ?      ? 
1 1 1    1   37    3 o   44.458   20.632  -2.4665   11.866   0.0000   0.0000  -2.4665   11.866  ?   ?    44.458   20.632      ?      ? 
1 1 1    1   37    4 o   43.572   20.221  -2.8388   11.399   0.0000   0.0000  -2.8388   11.399  ?   ?    43.572   20.221      ?      ? 
1 1 1    1   37    5 o   58.302   23.245   11.209   11.020   0.0000   0.0000   11.209   11.020  ?   ?    58.302   23.245      ?      ? 
1 1 1    1   37    6 o   73.469   24.455   20.722   11.362   0.0000   0.0000   20.722   11.362  ?   ?    73.469   24.455      ?      ? 
1 1 1    1   37    7 o   39.439   18.677  -6.8493   10.600   0.0000   0.0000  -6.8493   10.600  ?   ?    39.439   18.677      ?      ? 
1 1 1    1   37    8 o   35.582   16.830  -6.2921   8.5575   0.0000   0.0000  -6.2921   8.5575  ?   ?    35.582   16.830      ?      ? 
1 1 1    1   37    9 o   67.134   25.218   17.164   12.402   0.0000   0.0000   17.164   12.402  ?   ?    67.134   25.218      ?      ? 
1 1 1    1   37   10 o   47.333   19.884   4.8115   8.6110   0.0000   0.0000   4.8115   8.6110  ?   ?    47.333   19.884      ?      ? 
1 1 1    1   37   11 o  103.187   15.827   33.410   8.8251   0.0000   0.0000   33.410   8.8251  ?   ?   103.187   15.827      ?      ? 
1 1 1    1   37   12 o   61.386   21.234   13.798   8.5753   0.0000   0.0000   13.798   8.5753  ?   ?    61.386   21.234      ?      ? 
1 1 1    1   37   13 o   38.029   17.432  -1.5530   8.1087   0.0000   0.0000  -1.5530   8.1087  ?   ?    38.029   17.432      ?      ? 
1 1 1    1   37   14 o   54.827   20.445   10.618   8.1234   0.0000   0.0000   10.618   8.1234  ?   ?    54.827   20.445      ?      ? 
1 1 1    2    0    2 o  862.664   14.720  2014.86   96.912  2014.86   96.912  2014.86   96.912  862.664   20.817  862.664   20.817 0.000000 0.000000 
1 1 1    2    0    4 o  1072.59   12.815  3112.35  104.970  3112.35  104.970  3112.35  104.970  1072.59   18.123  1072.59   18.123 0.000000 0.000000 
1 1 1    2    0    5 o  1631.39   19.360  7207.73  241.204  7207.73  241.204  7207.73  241.204  1631.39   27.379  1631.39   27.379 0.000000 0.000000 
1 1 1    2    0    6 o  707.562   8.6284  1354.35   46.624  1354.35   46.624  1354.35   46.624  707.562   12.202  707.562   12.202 0.000000 0.000000 
1 1 1    2    0    7 o  2706.12   32.013 19880.47  661.606 19880.47  661.606 19880.47  661.606  2706.12   45.273  2706.12   45.273 0.000000 0.000000 
1 1 1    2    0    8 o  1606.09   19.037  6984.43  233.505  6984.43  233.505  6984.43  233.505  1606.09   26.922  1606.09   26.922 0.000000 0.000000 
1 1 1    2    0    9 o  1034.01   12.377  2893.08   97.740  2893.08   97.740  2893.08   97.740  1034.01   17.504  1034.01   17.504 0.000000 0.000000 
1 1 1    2    0   10 o  117.812   3.0193   37.650   2.7102   37.650   2.7102   37.650   2.7102  117.812   4.2700  117.812   4.2700 0.000000 0.000000 
1 1 1    2    0   11 o  1022.63   12.261  2829.84   95.754  2829.84   95.754  2829.84   95.754  1022.63   17.339  1022.63   17.339 0.000000 0.000000 
1 1 1    2    0   12 o  614.776   7.6090  1022.32   35.723  1022.32   35.723  1022.32   35.723  614.776   10.761  614.776   10.761 0.000000 0.000000 
1 1 1    2    0   13 o  1237.11   14.749  4141.83  139.350  4141.83  139.350  4141.83  139.350  1237.11   20.859  1237.11   20.859 0.000000 0.000000 
1 1 1    2    0   14 o  1282.11   15.264  4449.01  149.456  4449.01  149.456  4449.01  149.456  1282.11   21.586  1282.11   21.586 0.000000 0.000000 
1 1 1    2    0   15 o  269.211   4.0696  196.096   8.3637  196.096   8.3637  196.096   8.3637  269.211   5.7553  269.211   5.7553 0.000000 0.000000 
1 1 1    2    0   16 o  306.519   4.4196  254.188   10.343  254.188   10.343  254.188   10.343  306.519   6.2502  306.519   6.2502 0.000000 0.000000 
1 1 1    2    0   17 o  353.984   4.8989  338.983   13.241  338.983   13.241  338.983   13.241  353.984   6.9281  353.984   6.9281 0.000000 0.000000 
1 1 1    2    0   18 o  403.379   5.3959  440.179   16.620  440.179   16.620  440.179   16.620  403.379   7.6310  403.379   7.6310 0.000000 0.000000 
1 1 1    2    0   19 o  337.854   4.7817  308.835   12.335  308.835   12.335  308.835   12.335  337.854   6.7624  337.854   6.7624 0.000000 0.000000 
1 1 1    2    0   20 o  697.077   8.5814  1315.09   45.682  1315.09   45.682  1315.09   45.682  697.077   12.136  697.077   12.136 0.000000 0.000000 
1 1 1    2    0   21 o  964.857   11.641  2521.29   85.778  2521.29   85.778  2521.29   85.778  964.857   16.463  964.857   16.463 0.000000 0.000000 
1 1 1    2    0   22 o  650.691   8.0774  1145.90   40.137  1145.90   40.137  1145.90   40.137  650.691   11.423  650.691   11.423 0.000000 0.000000 
1 1 1    2    0   23 o  405.005   5.4741  443.833   16.928  443.833   16.928  443.833   16.928  405.005   7.7415  405.005   7.7415 0.000000 0.000000 
1 1 1    2    0   24 o  387.539   5.3047  406.392   15.697  406.392   15.697  406.392   15.697  387.539   7.5020  387.539   7.5020 0.000000 0.000000 
1 1 1    2    0   25 o  800.532   9.7710  1735.46   59.735  1735.46   59.735  1735.46   59.735  800.532   13.818  800.532   13.818 0.000000 0.000000 
1 1 1    2    0   26 o  716.061   8.8270  1388.08   48.269  1388.08   48.269  1388.08   48.269  716.061   12.483  716.061   12.483 0.000000 0.000000 
1 1 1    2    0   27 o   85.828   5.2819   20.358   3.4040   20.358   3.4040   20.358   3.4040   85.828   7.4697   85.828   7.4697 0.000000 0.000000 
1 1 1    2    0   28 f  205.032   4.0777  113.872   6.3777  113.872   6.3777  113.872   6.3777  205.032   5.7668  205.032   5.7668 0.000000 0.000000 
1 1 1    2    0   29 o  599.745   7.5640  973.338   34.642  973.338   34.642  973.338   34.642  599.745   10.697  599.745   10.697 0.000000 0.000000 
1 1 1    2    0   30 o  445.619   5.9668  537.285   20.303  537.285   20.303  537.285   20.303  445.619   8.4383  445.619   8.4383 0.000000 0.000000 
1 1 1    2    0   33 o  659.854   11.739  1179.95   59.111  1179.95   59.111  1179.95   59.111  659.854   16.602  659.854   16.602 0.000000 0.000000 
1 1 1    2    0   34 o  1970.81   23.432 10553.32  352.675 10553.32  352.675 10553.32  352.675  1970.81   33.137  1970.81   33.137 0.000000 0.000000 
1 1 1    2    0   35 f  692.627   8.6425  1298.22   45.713  1298.22   45.713  1298.22   45.713  692.627   12.222  692.627   12.222 0.000000 0.000000 
1 1 1    2    0   36 o  503.398   6.6711  685.681   25.643  685.681   25.643  685.681   25.643  503.398   9.4344  503.398   9.4344 0.000000 0.000000 
1 1 1    2    0   37 o  462.527   6.2986  578.901   22.244  578.901   22.244  578.901   22.244  462.527   8.9075  462.527   8.9075 0.000000 0.000000 
1 1 1    2    0   38 o   50.649   15.116   9.8260   5.9070   9.8260   5.9070   9.8260   5.9070   50.649   21.377   50.649   21.377 0.000000 0.000000 
1 1 1    2    0   39 o  554.226   10.245  832.658   43.322  832.658   43.322  832.658   43.322  554.226   14.488  554.226   14.488 0.000000 0.000000 
1 1 1    2    0   40 o  334.280   7.8235  303.153   19.936  303.153   19.936  303.153   19.936  334.280   11.064  334.280   11.064 0.000000 0.000000 
1 1 1    2    0   41 o  124.498   12.599   44.459   11.275   44.459   11.275   44.459   11.275  124.498   17.817  124.498   17.817 0.000000 0.000000 
1 1 1    2    0   42 o   76.093   14.854   18.860   7.4699   18.860   7.4699   18.860   7.4699   76.093   21.006   76.093   21.006 0.000000 0.000000 
1 1 1    2    0   43 o  256.638   5.4869  178.537   10.739  178.537   10.739  178.537   10.739  256.638   7.7597  256.638   7.7597 0.000000 0.000000 
1 1 1    2    0   44 o  244.437   5.4787  162.035   10.211  162.035   10.211  162.035   10.211  244.437   7.7480  244.437   7.7480 0.000000 0.000000 
1 1 1    2    0   45 o  118.331   7.8555   38.883   6.9597   38.883   6.9597   38.883   6.9597  118.331   11.109  118.331   11.109 0.000000 0.000000 
1 1 1    2    0   46 o  135.990   7.1085   50.856   7.2946   50.856   7.2946   50.856   7.2946  135.990   10.053  135.990   10.053 0.000000 0.000000 
1 1 1    2    0   47 o  244.858   5.3830  162.637   10.051  162.637   10.051  162.637   10.051  244.858   7.6127  244.858   7.6127 0.000000 0.000000 
1 1 1    2    0   48 o  861.793   10.620  2018.47   69.893  2018.47   69.893  2018.47   69.893  861.793   15.019  861.793   15.019 0.000000 0.000000 
1 1 1    2    0   49 o  336.526   5.4720  306.946   14.055  306.946   14.055  306.946   14.055  336.526   7.7385  336.526   7.7385 0.000000 0.000000 
1 1 1    2    0   50 o  152.024   6.5644   63.307   7.5611   63.307   7.5611   63.307   7.5611  152.024   9.2835  152.024   9.2835 0.000000 0.000000 
1 1 1    2    0   51 f  495.070   6.7562  664.972   25.539  664.972   25.539  664.972   25.539  495.070   9.5547  495.070   9.5547 0.000000 0.000000 
1 1 1    2    0   52 o   62.196   15.162   13.762   6.4881   13.762   6.4881   13.762   6.4881   62.196   21.442   62.196   21.442 0.000000 0.000000 
1 1 1    2    0   53 o  171.504   6.1263   80.358   7.9825   80.358   7.9825   80.358   7.9825  171.504   8.6639  171.504   8.6639 0.000000 0.000000 
1 1 1    2    0   54 o  169.381   6.3065   78.476   8.1114   78.476   8.1114   78.476   8.1114  169.381   8.9188  169.381   8.9188 0.000000 0.000000 
1 1 1    2    0   55 f  265.868   5.4579  192.181   11.068  192.181   11.068  192.181   11.068  265.868   7.7186  265.868   7.7186 0.000000 0.000000 
1 1 1    2    0   57 o   37.779   15.112   5.3756   6.7112   5.3756   6.7112   5.3756   6.7112   37.779   21.372   37.779   21.372 0.000000 0.000000 
1 1 1    2    0   58 o  156.032   6.6202   67.012   7.8287   67.012   7.8287   67.012   7.8287  156.032   9.3624  156.032   9.3624 0.000000 0.000000 
1 1 1    2    0   59 o  113.636   13.381   38.761   10.651   38.761   10.651   38.761   10.651  113.636   18.924  113.636   18.924 0.000000 0.000000 
1 1 1    2    0   62 o   23.092   11.365  -5.9902   7.1609  -5.9902   7.1609  -5.9902   7.1609   23.092   16.072   23.092   16.072 0.000000 0.000000 
1 1 1    2    0   63 f  386.848   6.1484  409.475   18.156  409.475   18.156  409.475   18.156  386.848   8.6952  386.848   8.6952 0.000000 0.000000 
1 1 1    2    0   64 o  245.135   5.9308  164.860   11.081  164.860   11.081  164.860   11.081  245.135   8.3875  245.135   8.3875 0.000000 0.000000 
1 1 1    2    0   65 o   30.078   13.881   0.0970   7.8035   0.0970   7.8035   0.0970   7.8035   30.078   19.631   30.078   19.631 0.000000 0.000000 
1 1 1    2    0   66 o   43.507   16.844   8.4335   8.0167   8.4335   8.0167   8.4335   8.0167   43.507   23.821   43.507   23.821 0.000000 0.000000 
1 1 1    2    0   67 o  166.116   7.7480   77.314   9.7374   77.314   9.7374   77.314   9.7374  166.116   10.957  166.116   10.957 0.000000 0.000000 
1 1 1    2    0   68 o   98.592   12.923   31.131   8.7529   31.131   8.7529   31.131   8.7529   98.592   18.276   98.592   18.276 0.000000 0.000000 
1 1 1    2    0   69 o   48.553   17.529   11.130   8.2042   11.130   8.2042   11.130   8.2042   48.553   24.790   48.553   24.790 0.000000 0.000000 
1 1 1    2    1    0 o  685.096   8.3649  1268.11   30.962  1253.44   43.320  1283.43   44.270  681.047   11.771  689.146   11.888 -8.099243 16.72975 
1 1 1    2    1    1 o  1120.40   18.881  3393.50  114.310  3393.50  114.310   0.0000   0.0000  1120.40   18.881  ?   ?       ?      ? 
1 1 1    2    1    2 o  380.596   7.1343  391.436   14.672  392.568   20.799  390.315   20.702  381.144   10.098  380.049   10.080 1.094818 14.26857 
1 1 1    2    1    3 o  1904.04   31.914  9839.12  328.336  9772.52  461.047  9907.66  467.699  1897.53   44.964  1910.54   45.302 -13.00916 63.82869 
1 1 1    2    1    4 o  356.650   5.8585  343.382   10.613  342.678   12.953  344.820   18.511  356.108   6.7315  357.192   9.5904 -1.083923 11.71703 
1 1 1    2    1    5 o  1236.50   14.721  4135.93   98.295  4055.18  136.128  4223.90  142.083  1223.93   20.583  1249.08   21.051 -25.14587 29.44112 
1 1 1    2    1    6 o  846.971   10.210  1940.02   46.726  1932.43   65.802  1947.74   66.364  845.302   14.406  848.640   14.472 -3.338135 20.41950 
1 1 1    2    1    7 o  491.368   6.2144  652.521   16.500  651.726   23.309  653.321   23.361  491.068   8.7841  491.668   8.7928 -0.6003418 12.42874 
1 1 1    2    1    8 o  497.494   6.2879  668.738   16.901  677.147   24.175  660.700   23.637  500.552   8.9378  494.437   8.8469 6.114868 12.57587 
1 1 1    2    1    9 o  476.986   6.0740  613.797   15.635  635.799   22.830  594.363   21.457  485.019   8.7108  468.953   8.4673 16.06659 12.14802 
1 1 1    2    1   10 o  867.303   10.459  2034.28   49.012  2049.75   69.847  2019.27   68.791  870.548   14.848  864.058   14.733 6.490356 20.91734 
1 1 1    2    1   11 o  566.659   7.0648  867.193   21.619  887.762   31.261  848.337   29.930  573.091   10.095  560.227   9.8867 12.86481 14.12965 
1 1 1    2    1   12 f  1385.73   16.473  5198.74  123.349  5203.81  174.630  5193.69  174.253  1386.40   23.310  1385.05   23.282 1.345947 32.94574 
1 1 1    2    1   13 o  411.459   5.4131  457.295   12.031  465.549   17.292  449.551   16.750  415.056   7.7101  407.863   7.6000 7.192505 10.82614 
1 1 1    2    1   14 o  1725.50   20.465  8063.34  190.675  8247.82  276.094  7895.11  263.646  1744.29   29.292  1706.72   28.587 37.56934 40.92988 
1 1 1    2    1   15 o  908.702   10.944  2231.56   53.704  2281.40   77.663  2185.90   74.344  918.404   15.649  898.999   15.304 19.40546 21.88843 
1 1 1    2    1   16 o  1495.55   17.772  6061.16  143.604  6124.83  205.310  6000.18  200.933  1503.21   25.276  1487.89   24.991 15.32166 35.54475 
1 1 1    2    1   17 o  1896.09   22.510  9763.29  230.602  9861.07  329.543  9669.48  322.801  1905.33   32.008  1886.84   31.660 18.49194 45.02048 
1 1 1    2    1   18 o  1259.14   15.025  4295.66  102.222  4320.56  145.485  4271.39  143.661  1262.73   21.322  1255.55   21.175 7.180664 30.04951 
1 1 1    2    1   19 o  1370.72   16.354  5101.25  121.125  5134.66  172.457  5068.74  170.158  1375.12   23.209  1366.31   23.047 8.808350 32.70792 
1 1 1    2    1   20 o  638.384   7.9154  1102.16   27.297  1118.69   39.175  1086.56   38.057  643.029   11.274  633.739   11.113 9.290344 15.83074 
1 1 1    2    1   21 f  679.767   8.3823  1249.88   30.779  1270.94   44.249  1230.14   42.841  685.303   11.949  674.230   11.759 11.07251 16.76452 
1 1 1    2    1   22 o  815.435   9.9239  1800.80   43.728  1802.41   61.897  1799.19   61.784  815.798   14.041  815.072   14.028 0.7255249 19.84776 
1 1 1    2    1   23 o  836.594   10.166  1895.95   45.955  1900.40   65.170  1891.54   64.813  837.568   14.399  835.620   14.354 1.947754 20.33137 
1 1 1    2    1   24 o  540.026   6.8655  788.938   20.034  785.032   28.228  792.902   28.438  538.681   9.6976  541.372   9.7210 -2.691650 13.73104 
1 1 1    2    1   25 o  378.364   5.2227  387.056   10.677  383.316   14.989  390.910   15.214  376.509   7.3671  380.219   7.4050 -3.709900 10.44544 
1 1 1    2    1   26 o  416.165   5.6062  468.192   12.605  475.323   18.050  461.404   17.610  419.255   7.9674  413.075   7.8893 6.180481 11.21246 
1 1 1    2    1   27 o  219.402   4.1177  130.111   4.8813  130.385   6.9576  129.846   6.8499  219.628   5.8625  219.175   5.7837 0.4524078 8.235338 
1 1 1    2    1   28 o  1093.31   13.149  3239.23   77.618  3319.38  112.589  3166.64  107.149  1106.13   18.837  1080.50   18.352 25.63562 26.29832 
1 1 1    2    1   29 f  392.636   5.4366  416.678   11.533  411.312   16.138  422.280   16.488  390.054   7.6565  395.218   7.7204 -5.164154 10.87315 
1 1 1    2    1   30 o  615.638   9.4802  1020.29   29.556  1041.67   52.054  1010.12   35.906  620.186   15.533  611.090   10.874 9.095947 18.96040 
1 1 1    2    1   31 o  1222.10   29.367  4065.31  193.933  4065.31  193.933   0.0000   0.0000  1222.10   29.367  ?   ?       ?      ? 
1 1 1    2    1   33 o  1648.83   27.982  7439.14  249.287  7373.87  349.480  7506.76  355.692  1641.56   39.398  1656.10   39.746 -14.53943 55.96434 
1 1 1    2    1   34 o  813.350   9.9683  1790.36   43.809  1800.19   62.333  1780.77   61.584  815.552   14.144  811.148   14.050 4.403870 19.93656 
1 1 1    2    1   35 o  946.080   11.474  2423.63   58.650  2445.20   83.701  2402.82   82.207  950.205   16.301  941.955   16.151 8.249634 22.94738 
1 1 1    2    1   36 o  1263.92   15.156  4334.94  103.510  4356.13  147.171  4314.19  145.613  1266.96   21.497  1260.88   21.372 6.082397 30.31252 
1 1 1    2    1   37 o  479.857   6.4667  622.709   16.768  623.229   23.736  622.191   23.691  480.056   9.1502  479.657   9.1403 0.3992615 12.93335 
1 1 1    2    1   38 o  656.768   8.3134  1165.53   29.467  1132.22   40.479  1203.08   42.980  646.818   11.581  666.717   11.930 -19.89923 16.62675 
1 1 1    2    1   39 o  466.535   7.8417  586.887   18.620  582.871   22.747  595.045   32.419  464.239   9.0675  468.832   12.796 -4.592529 15.68342 
1 1 1    2    1   40 o  1027.32   17.619  2863.60   97.808   0.0000   0.0000  2863.60   97.808  ?   ?   1027.32   17.619      ?      ? 
1 1 1    2    1   41 o  243.702   7.1277  154.763   8.4542  174.347   16.340  147.604   9.8794  253.772   11.916  233.632   7.8255 20.14023 14.25546 
1 1 1    2    1   42 o  316.680   6.7330  276.424   11.075  291.463   14.080  252.027   17.934  328.262   7.9377  305.098   10.878 23.16370 13.46598 
1 1 1    2    1   43 o  304.292   5.5326  250.369   9.0953  246.245   12.706  254.702   13.026  301.724   7.7930  306.859   7.8555 -5.134766 11.06525 
1 1 1    2    1   44 o  447.622   6.3126  542.175   15.265  532.981   21.288  551.907   21.901  443.722   8.8783  451.522   8.9762 -7.799927 12.62524 
1 1 1    2    1   45 o  329.593   5.5340  293.867   9.8519  298.034   14.181  289.980   13.697  331.845   7.9084  327.342   7.7433 4.502533 11.06805 
1 1 1    2    1   46 o  232.839   5.4535  146.227   6.8469  154.653   10.094  139.048   9.3181  239.023   7.8154  226.655   7.6081 12.36833 10.90701 
1 1 1    2    1   47 o  262.293   5.3644  186.214   7.6014  191.656   10.867  180.999   10.637  266.046   7.5590  258.539   7.6137 7.506592 10.72880 
1 1 1    2    1   48 o  339.807   5.5578  312.845   10.205  310.540   14.447  315.140   14.417  338.553   7.8968  341.060   7.8227 -2.507416 11.11552 
1 1 1    2    1   49 o  250.119   5.3132  169.354   7.1773  175.240   10.357  163.915   9.9551  254.294   7.5373  245.945   7.4907 8.349030 10.62644 
1 1 1    2    1   50 o  166.012   6.0208   74.577   5.3920   80.610   7.8624   69.221   7.4087  172.337   8.4429  159.687   8.5859 12.64944 12.04155 
1 1 1    2    1   51 o  283.252   5.3732  217.503   8.2219  210.794   11.486  224.551   11.774  278.771   7.6252  287.732   7.5726 -8.960938 10.74648 
1 1 1    2    1   52 o  119.936   7.6660   39.192   4.9459   44.494   7.1474   34.320   6.8510  127.761   10.353  112.112   11.309 15.64957 15.33207 
1 1 1    2    1   53 o  128.982   7.1014   45.374   4.9487   45.725   7.0744   45.038   6.9250  129.462   10.113  128.503   9.9729 0.9597168 14.20290 
1 1 1    2    1   54 o  129.709   7.1413   46.088   4.9832   41.250   7.0623   50.885   7.0323  122.833   10.640  136.586   9.5280 -13.75353 14.28264 
1 1 1    2    1   55 o   63.648   12.192   11.585   4.6984   4.7609   6.7677   17.934   6.5278   48.383   18.522   78.913   15.859 -30.52948 24.38348 
1 1 1    2    1   56 o  199.337   5.7348  108.166   6.1718  113.377   8.9551  103.451   8.5177  203.898   8.1277  194.776   8.0928 9.121918 11.46968 
1 1 1    2    1   57 o  265.928   5.4192  192.869   7.7872  192.570   11.033  193.165   10.993  265.716   7.6838  266.139   7.6439 -0.4230347 10.83838 
1 1 1    2    1   58 o   99.242   9.1163   27.471   4.8767   29.638   6.8967   25.305   6.8967  103.282   12.357   95.203   13.406 8.079666 18.23268 
1 1 1    2    1   59 o  124.207   10.705   43.665   7.1829   42.725   10.013   44.662   10.310  122.852   15.083  125.563   15.195 -2.711098 21.41007 
1 1 1    2    1   61 o  174.188   9.5467   85.810   8.9711   85.608   13.050   85.991   12.353  173.762   13.898  174.614   13.092 -0.8518829 19.09347 
1 1 1    2    1   62 o  261.445   5.7788  188.001   8.1587  193.513   11.803  182.956   11.291  265.071   8.2400  257.819   8.1044 7.251495 11.55764 
1 1 1    2    1   63 o  162.139   6.8339   72.982   5.9859   75.389   8.5304   70.647   8.4018  164.811   9.5784  159.467   9.7501 5.344025 13.66789 
1 1 1    2    1   64 o  194.602   6.3979  105.141   6.7152   96.781   9.3835  113.917   9.6141  186.520   9.3100  202.685   8.7781 -16.16458 12.79575 
1 1 1    2    1   65 f   56.392   13.268   7.6880   5.5486  -1.1526   7.7386   17.041   7.9599   39.840   17.755   72.944   19.722 -33.10476 26.53664 
1 1 1    2    1   66 o  141.532   8.4862   58.094   6.3893   68.649   8.9918   47.330   9.0805  155.513   10.700  127.551   13.175 27.96101 16.97241 
1 1 1    2    1   67 o  101.328   16.267   30.742   8.9067   30.742   8.9067   0.0000   0.0000  101.328   16.267  ?   ?       ?      ? 
1 1 1    2    1   68 o   41.340   12.827  -1.1214   5.9803   7.1249   8.4620  -9.3496   8.4527   49.997   20.217   32.682   15.792 17.31516 25.65334 
1 1 1    2    1   69 o   61.687   14.950   13.247   6.0400   11.772   8.7136   14.611   8.3799   58.859   21.304   64.515   20.980 -5.655571 29.90024 
1 1 1    2    2    0 o  1134.87   13.615  3481.93   83.482  3442.73  116.828  3522.82  119.335  1128.35   19.161  1141.39   19.348 -13.03967 27.23043 
1 1 1    2    2    2 o  575.701   8.2561  893.149   22.189  901.126   44.635  890.530   25.572  577.348   14.307  574.055   8.2438 3.292847 16.51210 
1 1 1    2    2    4 o  744.433   9.0520  1497.68   36.399  1524.29   52.370  1472.82   50.625  750.820   12.908  738.046   12.694 12.77386 18.10395 
1 1 1    2    2    5 o  1008.82   12.096  2752.97   65.929  2724.82   92.213  2782.41   94.297  1003.55   17.005  1014.08   17.208 -10.53259 24.19259 
1 1 1    2    2    6 o  2917.09   34.650 23202.80  546.180 23239.45  774.389 23166.53  770.456  2919.33   49.089  2914.84   48.915 4.489502 69.29990 
1 1 1    2    2    7 o  1776.95   21.057  8547.94  201.986  8339.41  278.210  8780.37  293.723  1754.15   29.351  1799.76   30.202 -45.61584 42.11442 
1 1 1    2    2    8 o  423.171   5.5058  483.926   12.590  481.297   17.729  486.601   17.880  422.012   7.7747  424.330   7.7980 -2.318390 11.01160 
1 1 1    2    2    9 o  821.129   9.9279  1823.40   44.051  1823.31   62.280  1823.48   62.316  821.110   14.036  821.149   14.044 -0.3924561E-01 19.85582 
1 1 1    2    2   10 o  1444.08   17.157  5649.66  133.879  5653.39  189.464  5645.94  189.203  1444.55   24.272  1443.60   24.254 0.9498291 34.31333 
1 1 1    2    2   11 o  1971.73   23.364 10549.39  248.935 10570.19  352.776 10528.76  351.323  1973.66   33.078  1969.81   33.006 3.852661 46.72858 
1 1 1    2    2   12 o  798.037   13.697  1721.89   59.065  1721.89   59.065   0.0000   0.0000  798.037   13.697  ?   ?       ?      ? 
1 1 1    2    2   13 o  644.894   7.9500  1124.10   27.703  1131.43   39.436  1116.96   38.923  646.968   11.280  642.819   11.206 4.148621 15.90006 
1 1 1    2    2   14 o  1640.09   19.454  7289.82  172.415  7288.22  243.795  7291.42  243.867  1639.91   27.512  1640.27   27.514 -0.3596191 38.90876 
1 1 1    2    2   15 o  1162.89   13.889  3659.36   87.255  3703.95  124.967  3616.95  121.886  1169.79   19.770  1156.00   19.512 13.79224 27.77717 
1 1 1    2    2   16 o  1491.18   17.728  6025.98  142.829  6090.03  204.249  5964.68  199.804  1498.91   25.217  1483.45   24.925 15.45068 35.45683 
1 1 1    2    2   17 o  454.788   5.9085  558.901   14.518  565.965   20.769  552.152   20.301  457.597   8.3993  451.980   8.3121 5.616882 11.81694 
1 1 1    2    2   18 o  1451.41   17.288  5715.69  135.587  5692.60  190.914  5739.18  192.596  1448.46   24.392  1454.35   24.507 -5.884399 34.57677 
1 1 1    2    2   19 o  464.240   6.0281  582.714   15.122  581.607   21.362  583.826   21.410  463.798   8.5236  464.682   8.5265 -0.8838806 12.05620 
1 1 1    2    2   20 o  715.043   8.7811  1381.38   33.883  1426.71   49.493  1341.39   46.483  726.045   12.615  704.041   12.218 22.00427 17.56220 
1 1 1    2    2   21 o  574.963   7.2278  894.248   22.456  894.962   31.793  893.537   31.722  575.192   10.229  574.735   10.214 0.4569092 14.45556 
1 1 1    2    2   22 o  541.077   6.8725  791.488   20.086  806.208   28.905  777.744   27.931  545.934   9.7983  536.220   9.6396 9.713684 13.74510 
1 1 1    2    2   23 o  759.450   9.2961  1560.12   38.117  1523.18   52.616  1600.92   55.295  750.021   12.982  768.879   13.309 -18.85760 18.59224 
1 1 1    2    2   24 o  765.131   9.3684  1585.49   38.730  1597.38   55.215  1573.98   54.341  767.944   13.306  762.317   13.192 5.626953 18.73674 
1 1 1    2    2   25 o  619.614   7.7448  1039.08   25.930  1043.19   36.838  1035.04   36.506  620.825   10.981  618.402   10.925 2.423462 15.48961 
1 1 1    2    2   26 o  512.365   6.5994  710.105   18.272  710.033   25.836  710.177   25.843  512.339   9.3323  512.390   9.3338 -0.5157471E-01 13.19888 
1 1 1    2    2   27 o  595.064   7.4900  957.863   24.080  946.069   33.664  970.221   34.458  591.319   10.535  598.810   10.649 -7.490906 14.97991 
1 1 1    2    2   28 o  402.125   5.5032  437.197   11.958  437.056   16.938  437.336   16.885  402.060   7.7961  402.190   7.7692 -0.1302185 11.00639 
1 1 1    2    2   29 o  665.220   10.103  1199.57   34.350  1193.69   59.022  1202.58   42.241  663.758   16.456  666.682   11.725 -2.923767 20.20587 
1 1 1    2    2   30 o  1009.49   17.248  2768.82   94.077  2790.54  134.064  2747.75  132.050  1013.37   24.483  1005.61   24.301 7.757324 34.49528 
1 1 1    2    2   31 o  898.821   15.440  2191.34   74.983  2177.48  105.239  2205.63  106.864  895.950   21.737  901.691   21.932 -5.741089 30.87937 
1 1 1    2    2   32 o  436.336   8.4456  514.971   19.913  510.811   28.141  519.144   28.181  434.570   11.984  438.103   11.904 -3.533691 16.89127 
1 1 1    2    2   33 o  993.780   17.036  2681.26   91.484  2671.17  129.062  2691.44  129.697  991.905   24.079  995.656   24.106 -3.750916 34.07232 
1 1 1    2    2   34 o  243.005   5.8949  161.913   7.2563  153.018   12.523  166.409   8.9033  237.882   9.7419  248.128   6.6403 -10.24596 11.78980 
1 1 1    2    2   35 o  142.935   5.4743   55.369   4.2160   50.999   6.0016   59.627   5.9239  137.350   8.0863  148.520   7.3813 -11.17088 10.94861 
1 1 1    2    2   36 o  281.577   4.9231  214.254   7.4873  216.318   10.773  212.325   10.414  282.887   7.0473  280.267   6.8762 2.620117 9.846165 
1 1 1    2    2   37 o  689.965   8.6338  1288.21   32.186  1299.83   45.945  1277.01   45.102  693.015   12.269  686.914   12.151 6.101074 17.26768 
1 1 1    2    2   38 o  1033.36   15.383  2889.37   80.479  2866.67   97.815  2936.94  141.594  1028.12   17.606  1038.60   25.229 -10.47949 30.76539 
1 1 1    2    2   39 o  487.249   8.1867  643.255   20.221  640.315   35.323  644.687   24.662  486.281   13.442  488.217   9.3484 -1.935944 16.37350 
1 1 1    2    2   40 o  527.214   8.6706  763.096   23.566  716.216   39.147  789.738   29.512  514.162   14.090  540.265   10.109 -26.10297 17.34117 
1 1 1    2    2   41 o  508.146   8.3249  704.842   21.835  679.054   36.437  719.292   27.275  500.678   13.468  515.615   9.7894 -14.93652 16.64979 
1 1 1    2    2   42 o  192.085   7.1335   97.933   7.0501   93.809   8.6440  106.126   12.185  186.211   8.5905  197.959   11.391 -11.74829 14.26702 
1 1 1    2    2   43 o  708.644   10.936  1364.37   39.536  1367.32   48.526  1358.56   68.185  710.313   12.643  706.976   17.848 3.336670 21.87239 
1 1 1    2    2   44 o  699.505   8.8126  1327.11   33.310  1321.48   46.948  1332.81   47.269  698.015   12.447  700.995   12.479 -2.980164 17.62525 
1 1 1    2    2   45 o  262.843   5.4201  186.964   7.6981  186.293   10.906  187.631   10.867  262.371   7.6926  263.315   7.6375 -0.9439392 10.84011 
1 1 1    2    2   46 o  647.011   8.2628  1135.93   28.889  1132.90   40.826  1138.96   40.884  646.146   11.693  647.876   11.678 -1.730591 16.52568 
1 1 1    2    2   47 o  434.466   6.1902  511.266   14.527  520.357   20.911  502.785   20.196  438.186   8.8312  430.747   8.6767 7.439331 12.38046 
1 1 1    2    2   48 o  329.516   5.4764  293.896   9.7468  284.552   13.542  303.937   14.039  324.089   7.7329  334.944   7.7567 -10.85468 10.95287 
1 1 1    2    2   49 o  271.991   5.2842  200.446   7.7605  201.432   11.209  199.539   10.755  272.618   7.6088  271.364   7.3347 1.254211 10.56840 
1 1 1    2    2   50 o  298.413   5.3276  241.461   8.5894  235.497   12.096  247.526   12.199  294.688   7.5962  302.138   7.4720 -7.450500 10.65513 
1 1 1    2    2   51 o  146.944   6.5746   58.910   5.1840   56.593   7.7152   60.817   6.9995  144.242   9.8984  149.646   8.6559 -5.404266 13.14929 
1 1 1    2    2   52 o  173.422   5.9409   81.741   5.5665   81.952   7.9415   81.537   7.8049  173.635   8.4641  173.210   8.3388 0.4248199 11.88175 
1 1 1    2    2   53 o  190.680   5.7848   98.944   5.9556   95.289   8.4759  102.507   8.3700  187.169   8.3804  194.190   7.9765 -7.020615 11.56961 
1 1 1    2    2   54 o  214.810   5.5304  125.549   6.4137  119.352   9.0624  131.767   9.0783  209.464   8.0066  220.156   7.6311 -10.69261 11.06072 
1 1 1    2    2   55 o  432.973   6.2837  511.253   14.690  521.635   21.287  501.813   20.297  437.104   9.0123  428.842   8.7589 8.261841 12.56741 
1 1 1    2    2   56 o  238.086   5.4532  154.304   7.0121  159.174   10.120  149.806   9.7253  241.687   7.7486  234.486   7.6753 7.201019 10.90646 
1 1 1    2    2   57 o  109.138   8.5638   33.147   4.9863   27.004   7.0025   39.466   7.1020   98.591   13.144  119.686   10.981 -21.09541 17.12753 
1 1 1    2    2   58 o  139.606   9.5528   54.757   7.1353   46.171   10.087   63.356   10.095  128.218   14.559  150.994   12.372 -22.77618 19.10564 
1 1 1    2    2   59 f  119.737   11.266   40.866   7.2461   46.419   10.368   35.563   10.131  128.052   14.983  111.421   16.827 16.63102 22.53127 
1 1 1    2    2   60 o   56.429   23.266   5.1239   11.474   5.1239   11.474   0.0000   0.0000   56.429   23.266  ?   ?       ?      ? 
1 1 1    2    2   61 o   44.523   14.139  -3.6680   7.1728   1.4930   10.575  -8.0653   9.7614   50.050   21.560   38.996   18.297 11.05317 28.27800 
1 1 1    2    2   62 o  159.248   8.9953   73.007   7.2222   67.748   12.429   75.688   8.8741  153.461   14.988  165.035   9.9509 -11.57381 17.99054 
1 1 1    2    2   63 o  212.411   6.0168  124.299   6.8993  129.850   10.030  119.313   9.5056  216.878   8.5582  207.943   8.4595 8.934341 12.03360 
1 1 1    2    2   64 o   82.524   12.664   20.916   5.5078   26.059   8.0691   16.429   7.5366   92.792   16.707   72.257   19.036 20.53503 25.32807 
1 1 1    2    2   65 o  117.240   9.1272   39.472   5.7735   39.988   8.4188   39.015   7.9327  117.786   13.227  116.694   12.580 1.092529 18.25431 
1 1 1    2    2   66 o  149.590   7.9052   63.807   6.3818   60.335   9.0336   67.266   9.0169  145.296   11.506  153.885   10.844 -8.589355 15.81042 
1 1 1    2    2   67 o   70.820   15.135   16.635   6.2955   17.833   8.8907   15.430   8.9157   73.323   21.224   68.317   21.583 5.006783 30.26990 
1 1 1    2    2   68 o   56.302   13.764   9.7862   5.9626   0.2834   8.6972   18.214   8.1903   41.359   18.598   71.244   20.294 -29.88507 27.52705 
1 1 1    2    2   69 o   74.957   14.398   19.566   6.0470   16.244   8.4311   23.086   8.6779   67.772   20.923   82.141   19.786 -14.36850 28.79657 
1 1 1    2    3    0 o  970.767   11.663  2549.32   61.182  2541.97   86.306  2556.75   86.744  969.361   16.477  972.173   16.512 -2.812134 23.32673 
1 1 1    2    3    2 o  1102.63   16.120  3301.99   90.964  3265.77  155.634  3320.78  112.105  1097.57   26.241  1107.69   18.729 -10.11951 32.23951 
1 1 1    2    3    3 o  1422.22   16.912  5478.93  129.950  5537.15  185.702  5423.06  181.910  1429.61   24.039  1414.84   23.794 14.76526 33.82307 
1 1 1    2    3    4 o  441.953   8.0931  527.868   19.328   0.0000   0.0000  527.868   19.328  ?   ?   441.953   8.0931      ?      ? 
1 1 1    2    3    5 o  518.147   6.5438  725.565   18.321  721.434   25.771  729.786   26.051  516.657   9.2308  519.638   9.2777 -2.981079 13.08752 
1 1 1    2    3    6 o  1004.30   12.040  2727.82   65.336  2712.48   91.849  2743.52   92.959  1001.45   16.973  1007.15   17.081 -5.707458 24.07969 
1 1 1    2    3    7 o  628.386   7.7678  1067.37   26.376  1063.17   37.153  1071.64   37.451  627.139   10.963  629.632   11.007 -2.492798 15.53565 
1 1 1    2    3    8 o  374.845   7.1705  379.722   14.524  379.722   14.524   0.0000   0.0000  374.845   7.1705  ?   ?       ?      ? 
1 1 1    2    3    9 o  585.550   10.320  926.837   32.652   0.0000   0.0000  926.837   32.652  ?   ?   585.550   10.320      ?      ? 
1 1 1    2    3   10 o  263.537   5.6563  187.671   8.0550   0.0000   0.0000  187.671   8.0550  ?   ?   263.537   5.6563      ?      ? 
1 1 1    2    3   11 o  1114.70   13.323  3361.57   80.248  3353.17  113.190  3370.07  113.787  1113.30   18.815  1116.10   18.867 -2.797607 26.64537 
1 1 1    2    3   12 o  1027.89   12.316  2857.81   68.406  2863.42   96.932  2852.24   96.552  1028.90   17.434  1026.89   17.400 2.009155 24.63167 
1 1 1    2    3   13 f  1307.16   15.567  4622.10  109.892  4536.79  152.393  4714.52  158.616  1294.63   21.784  1319.69   22.243 -25.06335 31.13302 
1 1 1    2    3   14 o  401.691   5.3565  436.036   11.626  438.618   16.550  433.521   16.336  402.864   7.6025  400.517   7.5479 2.347137 10.71300 
1 1 1    2    3   15 o  1225.08   14.615  4062.58   96.728  4111.81  138.496  4015.71  135.154  1232.31   20.798  1217.86   20.537 14.45325 29.22939 
1 1 1    2    3   16 o  1286.47   15.337  4482.37  106.617  4470.71  150.385  4494.15  151.176  1284.79   21.661  1288.14   21.719 -3.355347 30.67422 
1 1 1    2    3   17 o  549.099   6.9303  814.699   20.555  828.838   29.563  801.465   28.601  553.706   9.8805  544.491   9.7207 9.214783 13.86060 
1 1 1    2    3   18 o  1001.50   12.045  2716.65   65.182  2711.65   92.008  2721.69   92.356  1000.58   17.017  1002.42   17.050 -1.845703 24.08928 
1 1 1    2    3   19 o  529.754   6.7334  758.964   19.275  757.345   27.233  760.590   27.285  529.187   9.5236  530.320   9.5214 -1.132446 13.46683 
1 1 1    2    3   20 o  402.333   5.4228  437.635   11.790  437.753   16.687  437.517   16.659  402.387   7.6743  402.279   7.6637 0.1079712 10.84557 
1 1 1    2    3   21 o  705.627   8.6868  1347.65   33.122  1345.58   46.771  1349.73   46.914  705.085   12.276  706.169   12.294 -1.083557 17.37360 
1 1 1    2    3   22 o  474.070   6.1708  607.315   15.799  594.123   21.904  621.620   22.810  468.713   8.6484  479.428   8.8045 -10.71561 12.34156 
1 1 1    2    3   23 o  759.024   9.2965  1560.12   38.129  1554.38   53.749  1565.95   54.099  757.618   13.129  760.429   13.166 -2.811157 18.59304 
1 1 1    2    3   24 o  1107.28   13.316  3329.55   79.671  3351.29  113.461  3308.40  111.898  1110.82   18.902  1103.73   18.762 7.089966 26.63263 
1 1 1    2    3   25 o  560.839   7.1154  850.858   21.561  840.253   30.176  861.919   30.817  557.273   10.021  564.405   10.104 -7.132141 14.23080 
1 1 1    2    3   26 o  1001.66   12.088  2721.27   65.431  2723.47   92.632  2719.09   92.434  1002.07   17.107  1001.27   17.084 0.8002319 24.17694 
1 1 1    2    3   27 o  379.279   5.2925  388.895   10.846  385.079   15.236  392.816   15.445  377.393   7.4710  381.164   7.4985 -3.771240 10.58507 
1 1 1    2    3   28 o  372.651   6.3444  374.673   12.082  378.153   20.842  372.911   14.828  373.899   10.316  371.402   7.3884 2.496185 12.68875 
1 1 1    2    3   29 o  429.641   8.1116  499.286   18.830  507.207   26.891  491.667   26.375  432.982   11.494  426.300   11.449 6.682526 16.22320 
1 1 1    2    3   30 o  665.715   11.691  1200.33   42.055  1210.58   59.831  1190.31   59.125  668.523   16.562  662.908   16.506 5.614868 23.38254 
1 1 1    2    3   31 o  483.158   6.3839  630.096   16.649  610.187   22.893  652.443   24.255  475.074   8.9179  491.241   9.1373 -16.16660 12.76783 
1 1 1    2    3   32 o  1030.66   17.644  2884.01   98.265  2882.88  139.084  2885.14  138.851  1030.46   24.978  1030.87   24.926 -0.4129639 35.28770 
1 1 1    2    3   33 o  713.925   12.596  1380.73   48.592  1369.14   68.347  1392.57   69.098  710.899   17.792  716.950   17.836 -6.050598 25.19259 
1 1 1    2    3   34 f  750.527   11.373  1531.55   43.662  1506.08   74.674  1544.78   53.820  745.488   18.537  755.566   13.182 -10.07855 22.74628 
1 1 1    2    3   35 f  572.751   7.3564  886.923   22.762  898.075   32.629  876.351   31.769  576.253   10.479  569.248   10.328 7.004272 14.71277 
1 1 1    2    3   36 o  596.395   7.6336  961.826   24.593  974.009   35.297  950.332   34.285  600.058   10.886  592.732   10.704 7.326355 15.26712 
1 1 1    2    3   37 o  350.127   6.6744  329.720   11.869  326.231   14.456  336.937   20.791  347.362   7.7016  352.892   10.903 -5.529907 13.34877 
1 1 1    2    3   38 f  427.110   6.1039  493.039   14.084  479.986   19.650  506.826   20.196  421.301   8.6314  432.920   8.6330 -11.61908 12.20776 
1 1 1    2    3   39 o  1148.46   17.071  3582.90   99.400  3610.36  174.003  3569.59  121.104  1150.27   27.994  1146.65   19.545 3.616455 34.14238 
1 1 1    2    3   40 o  1026.06   12.460  2856.58   69.081  2864.07   98.062  2849.21   97.332  1027.39   17.664  1024.74   17.577 2.647339 24.91933 
1 1 1    2    3   41 o  756.162   9.4565  1547.80   38.610  1578.51   55.906  1519.79   53.388  763.301   13.554  749.023   13.190 14.27795 18.91307 
1 1 1    2    3   42 o  682.997   10.530  1263.92   36.667  1270.05   63.462  1260.86   44.925  683.784   17.175  682.210   12.186 1.573914 21.05962 
1 1 1    2    3   43 o  622.884   9.8054  1056.17   31.297  1064.72   38.650  1039.86   53.338  626.945   11.409  618.823   15.951 8.122498 19.61078 
1 1 1    2    3   44 f  445.004   7.7680  534.023   17.577  528.868   21.438  544.594   30.700  441.973   8.9763  448.036   12.680 -6.062805 15.53595 
1 1 1    2    3   45 o  642.059   8.2163  1117.85   28.503  1105.98   39.980  1130.11   40.648  638.602   11.586  645.516   11.653 -6.914795 16.43250 
1 1 1    2    3   46 o  223.856   5.5180  135.627   6.6735  137.498   9.5522  133.843   9.3273  225.361   7.8440  222.350   7.7630 3.010788 11.03598 
1 1 1    2    3   47 o  223.306   5.4502  134.999   6.5723  136.497   9.4891  133.617   9.1115  224.489   7.8225  222.124   7.5912 2.365265 10.90031 
1 1 1    2    3   48 o  237.246   5.3859  151.451   6.8781  164.503   10.294  140.923   9.2449  246.408   7.7309  228.084   7.5010 18.32414 10.77178 
1 1 1    2    3   49 o  315.772   5.4337  269.409   9.2478  282.308   13.683  258.560   12.548  322.685   7.8470  308.859   7.5182 13.82620 10.86732 
1 1 1    2    3   50 o  122.075   7.7472   41.183   5.0214   33.142   7.2141   48.740   6.9937  110.238   12.111  133.912   9.6650 -23.67480 15.49449 
1 1 1    2    3   51 o  119.247   7.7627   38.533   4.9494   46.942   7.2875   31.334   6.7431  131.319   10.270  107.174   11.643 24.14480 15.52547 
1 1 1    2    3   52 o  135.951   6.8866   50.214   5.0484   55.043   7.3340   45.866   6.9598  142.168   9.5467  129.734   9.9278 12.43321 13.77315 
1 1 1    2    3   53 o  178.228   5.9413   86.108   5.7034   90.045   8.4814   82.858   7.7058  181.900   8.6287  174.556   8.1695 7.344666 11.88259 
1 1 1    2    3   54 o  304.231   5.4397  250.697   8.9213  265.981   13.187  237.797   12.115  312.720   7.8035  295.743   7.5807 16.97720 10.87939 
1 1 1    2    3   55 o  109.072   8.6422   33.565   4.9501   25.410   7.1598   41.032   6.8514   95.775   13.835  122.370   10.361 -26.59502 17.28449 
1 1 1    2    3   56 o  368.593   5.7979  370.596   11.541  372.039   16.635  369.257   16.024  369.224   8.3379  367.961   8.0587 1.262482 11.59583 
1 1 1    2    3   57 o   76.411   13.511   16.303   5.3542   21.491   9.2402   13.681   6.5695   84.692   20.427   68.131   17.688 16.56042 27.02129 
1 1 1    2    3   58 o   67.182   14.633   12.098   6.4692   21.304   9.3480   3.6374   8.9620   83.914   20.736   50.451   20.653 33.46266 29.26633 
1 1 1    2    3   59 o   99.199   12.667   28.848   6.6226   28.401   9.7257   29.234   9.0430   97.343   19.172  101.056   16.560 -3.712349 25.33367 
1 1 1    2    3   60 o   37.203   12.144  -5.6042   5.7877  -1.7582   7.3044 -12.0923   9.4871   38.882   17.295   35.525   17.054 3.357265 24.28868 
1 1 1    2    3   61 o  176.792   9.4340   88.506   8.9666   87.095   13.294   89.685   12.145  175.065   14.053  178.519   12.590 -3.453796 18.86790 
1 1 1    2    3   62 o   73.663   16.432   17.331   7.9080   8.3559   11.961   24.302   10.541   60.204   24.144   87.121   22.297 -26.91716 32.86449 
1 1 1    2    3   63 o  145.286   7.4317   59.135   5.8018   56.347   8.5377   61.526   7.9083  141.805   11.142  148.766   9.8376 -6.961060 14.86348 
1 1 1    2    3   64 o  110.480   9.6171   35.125   5.7324   34.761   8.3089   35.455   7.9190  109.727   14.013  111.232   13.175 -1.505417 19.23413 
1 1 1    2    3   65 o   37.610   12.058  -2.7297   5.3551  -5.2537   7.6984  -0.3634   7.4539   35.279   16.454   39.940   17.632 -4.661438 24.11656 
1 1 1    2    3   66 o  211.424   6.4493  125.080   7.3674  124.849   10.484  125.305   10.355  211.178   9.1873  211.670   9.0536 -0.4923859 12.89861 
1 1 1    2    3   67 o  202.667   6.9271  115.497   7.5854  115.438   10.653  115.557   10.803  202.670   9.7277  202.663   9.8647 0.7049561E-02 13.85423 
1 1 1    2    3   68 o   54.001   14.430   9.6534   5.8107   7.6191   8.1458   11.761   8.2913   50.330   20.011   57.673   20.796 -7.342690 28.86048 
1 1 1    2    3   69 o   75.058   14.505   19.874   6.0474   20.486   8.7232   19.308   8.3911   76.049   20.681   74.066   20.343 1.983772 29.00912 
1 1 1    2    4    0 o  542.162   6.8315  794.341   20.012  786.935   28.063  802.005   28.546  539.592   9.6246  544.732   9.6978 -5.140930 13.66309 
1 1 1    2    4    1 o  457.598   5.9405  565.392   14.680  552.276   20.328  579.688   21.222  452.057   8.3217  463.138   8.4800 -11.08084 11.88110 
1 1 1    2    4    2 o  364.109   5.6756  362.687   9.8578  348.874   18.956  367.807   11.541  359.278   9.7642  368.939   5.7890 -9.661346 11.35128 
1 1 1    2    4    3 o  1595.77   18.935  6893.27  163.184  6768.21  226.242  7028.89  235.598  1580.74   26.486  1610.80   27.067 -30.06384 37.87030 
1 1 1    2    4    4 o  928.279   11.177  2329.93   56.060  2307.42   78.511  2353.34   80.073  923.710   15.729  932.848   15.885 -9.137817 22.35486 
1 1 1    2    4    6 o  1063.42   12.764  3059.55   73.340  3083.90  104.611  3036.02  102.848  1067.57   18.134  1059.27   17.968 8.303955 25.52835 
1 1 1    2    4    7 o  908.403   10.952  2231.67   53.751  2255.30   76.828  2209.02   75.228  913.106   15.571  903.699   15.405 9.407104 21.90361 
1 1 1    2    4    9 o  1464.36   17.398  5807.28  137.661  5835.58  195.699  5779.56  193.681  1467.88   24.672  1460.84   24.536 7.044067 34.79538 
1 1 1    2    4   10 o  405.249   5.3918  443.727   11.806  438.410   16.548  449.238   16.849  402.777   7.6029  407.720   7.6474 -4.942932 10.78364 
1 1 1    2    4   11 o  874.428   10.564  2067.38   49.913  2051.85   70.084  2083.38   71.104  871.097   14.889  877.759   14.991 -6.662170 21.12838 
1 1 1    2    4   12 o  1490.94   17.716  6020.47  142.727  6011.87  201.516  6029.12  202.179  1489.87   25.031  1492.00   25.077 -2.129028 35.43166 
1 1 1    2    4   13 o  1550.65   18.426  6504.17  154.163  6315.46  211.237  6719.22  225.498  1526.70   25.605  1574.59   26.503 -47.88708 36.85116 
1 1 1    2    4   14 o  1381.29   16.445  5167.62  122.728  5221.84  175.447  5115.67  171.739  1388.36   23.386  1374.22   23.127 14.14612 32.89038 
1 1 1    2    4   15 o  1517.11   18.033  6239.47  147.830  6242.46  209.244  6236.49  208.884  1517.47   25.518  1516.75   25.486 0.7194824 36.06515 
1 1 1    2    4   16 o  285.917   4.3161  220.764   6.6660  214.449   9.2852  227.481   9.5759  281.701   6.0998  290.134   6.1079 -8.433167 8.632176 
1 1 1    2    4   17 o  1814.10   21.584  8954.49  211.579  8955.88  299.297  8953.10  299.140  1814.24   30.529  1813.96   30.518 0.2768555 43.16717 
1 1 1    2    4   18 o  264.143   4.1892  188.517   5.9780  191.260   8.5680  185.914   8.3447  266.014   5.9606  262.271   5.8881 3.743317 8.378394 
1 1 1    2    4   19 o  162.237   3.7379   71.134   3.2767   71.327   4.6613   70.946   4.6072  162.454   5.3099  162.020   5.2624 0.4342804 7.475809 
1 1 1    2    4   20 o  517.223   6.6207  723.519   18.504  723.662   26.185  723.376   26.152  517.273   9.3681  517.172   9.3580 0.1015625 13.24137 
1 1 1    2    4   21 o  621.232   7.7579  1044.17   26.042  1037.03   36.623  1051.48   37.038  619.085   10.947  623.379   10.995 -4.293457 15.51586 
1 1 1    2    4   22 o  241.689   4.1637  157.837   5.4363  152.756   7.6151  163.117   7.7632  237.723   5.9281  245.654   5.8483 -7.931244 8.327360 
1 1 1    2    4   23 o  266.031   4.3022  191.267   6.1838  187.722   8.6680  194.941   8.8244  263.521   6.0872  268.541   6.0812 -5.019531 8.604333 
1 1 1    2    4   24 o  189.142   4.0447   96.698   4.1338   97.490   5.8745   95.921   5.8180  189.909   5.7245  188.375   5.7156 1.534119 8.089382 
1 1 1    2    4   25 o  351.097   5.0248  333.023   9.5276  340.440   13.761  326.195   13.204  354.846   7.1769  347.348   7.0348 7.498383 10.04967 
1 1 1    2    4   26 f  612.915   7.6977  1015.07   25.467  986.146   35.051  1047.42   37.067  603.691   10.745  622.139   11.026 -18.44818 15.39530 
1 1 1    2    4   27 o  354.955   6.1297  342.511   11.250  334.459   18.772  347.023   14.054  351.636   9.8792  358.274   7.2591 -6.638153 12.25941 
1 1 1    2    4   28 o  106.820   6.4751   30.734   3.7169   26.464   5.0966   35.586   5.4326   98.922   9.5345  114.718   8.7637 -15.79675 12.95024 
1 1 1    2    4   29 o  788.446   13.631  1685.64   58.073  1698.42   82.689  1673.20   81.577  791.387   19.336  785.506   19.219 5.881287 27.26281 
1 1 1    2    4   30 o  450.250   6.0479  548.078   14.715  548.869   20.838  547.291   20.781  450.573   8.5585  449.926   8.5475 0.6476440 12.09582 
1 1 1    2    4   31 o  678.771   8.4559  1245.90   31.009  1260.75   44.391  1231.76   43.334  682.713   12.033  674.828   11.884 7.884583 16.91181 
1 1 1    2    4   32 o  769.039   13.461  1602.51   55.937  1609.01   79.593  1596.17   78.630  770.570   19.115  767.508   18.959 3.061951 26.92266 
1 1 1    2    4   33 o  211.735   7.0418  120.932   8.0401  125.676   11.837  116.869   10.955  215.577   10.161  207.894   9.7517 7.682693 14.08360 
1 1 1    2    4   34 o  411.472   7.2009  461.416   15.060  447.297   25.995  468.548   18.476  406.631   11.830  416.312   8.2131 -9.680481 14.40180 
1 1 1    2    4   35 o  625.205   7.9259  1057.19   26.774  1065.71   38.207  1048.96   37.530  627.677   11.265  622.733   11.153 4.944031 15.85186 
1 1 1    2    4   36 o  449.237   7.6199  546.459   17.432  547.505   21.353  544.369   30.186  449.974   8.7818  448.499   12.455 1.475586 15.23986 
1 1 1    2    4   37 o  404.544   7.2465  435.946   14.725  424.811   17.693  461.036   26.558  396.359   8.2609  412.729   11.908 -16.37009 14.49294 
1 1 1    2    4   38 o  699.454   17.796  1326.80   67.263  1326.80   67.263   0.0000   0.0000  699.454   17.796  ?   ?       ?      ? 
1 1 1    2    4   39 o  509.390   6.8870  701.338   18.948  682.092   26.304  722.095   27.317  502.136   9.6943  516.644   9.7848 -14.50858 13.77395 
1 1 1    2    4   40 o  973.309   11.860  2568.55   62.360  2602.55   89.464  2536.43   86.971  979.541   16.902  967.076   16.643 12.46490 23.72041 
1 1 1    2    4   41 f  592.138   7.6908  949.130   24.608  942.215   34.662  956.155   34.940  589.964   10.873  594.311   10.880 -4.347473 15.38153 
1 1 1    2    4   42 o  308.971   6.6150  258.132   10.547  259.009   17.798  257.658   13.093  309.303   10.649  308.639   7.8508 0.6639099 13.23001 
1 1 1    2    4   43 o  373.539   7.0071  369.913   13.220  399.775   23.709  356.440   15.925  384.121   11.422  362.957   8.1196 21.16327 14.01411 
1 1 1    2    4   44 o  183.681   7.1681   89.008   6.8198   83.506   8.3982   99.662   11.686  175.623   8.8494  191.739   11.279 -16.11574 14.33623 
1 1 1    2    4   45 o  337.978   5.6296  308.590   10.270  322.121   14.961  296.532   14.123  344.966   8.0259  330.991   7.8965 13.97528 11.25917 
1 1 1    2    4   46 o  343.191   5.5984  318.780   10.373  322.055   15.027  315.800   14.336  344.860   8.0639  341.522   7.7681 3.337463 11.19688 
1 1 1    2    4   47 o  581.148   7.6037  915.563   23.849  943.366   34.770  890.860   32.774  589.424   10.917  572.871   10.587 16.55334 15.20745 
1 1 1    2    4   48 o  313.687   5.4847  266.590   9.2944  258.007   13.061  275.397   13.229  308.563   7.8331  318.811   7.6793 -10.24765 10.96947 
1 1 1    2    4   49 o  614.315   7.9629  1027.37   26.433  1026.60   37.495  1028.14   37.269  614.069   11.300  614.560   11.223 -0.4914551 15.92576 
1 1 1    2    4   50 o  565.226   7.4519  869.132   22.754  878.058   32.614  860.665   31.762  568.020   10.626  562.432   10.451 5.587952 14.90373 
1 1 1    2    4   51 o  459.644   6.4419  574.352   16.000  569.376   22.579  579.370   22.676  457.638   9.1304  461.650   9.0900 -4.011475 12.88384 
1 1 1    2    4   52 f  507.768   6.9074  702.612   18.952  704.234   26.934  701.022   26.672  508.332   9.8055  507.204   9.7315 1.127808 13.81486 
1 1 1    2    4   53 f  339.374   5.5729  312.720   10.207  320.408   14.877  305.882   14.030  343.273   8.0203  335.475   7.7397 7.798737 11.14572 
1 1 1    2    4   54 o  222.453   5.5623  133.948   6.6568  141.792   9.9897  127.683   8.9279  228.234   8.1000  216.673   7.6253 11.56079 11.12452 
1 1 1    2    4   55 o  144.913   6.8948   56.737   5.3645   64.964   8.1441   50.431   7.1297  154.069   9.7823  135.757   9.7190 18.31142 13.78957 
1 1 1    2    4   56 o   61.214   13.130   11.078   5.1919   2.8716   8.6652   15.675   6.4848   49.133   20.233   73.295   16.740 -24.16204 26.26091 
1 1 1    2    4   57 o  240.834   7.4703  159.587   9.7141  168.604   13.981  151.171   13.507  247.451   10.456  234.218   10.672 13.23332 14.94050 
1 1 1    2    4   58 o   92.186   13.283   25.327   6.4975   33.131   9.2101   17.595   9.1677  108.190   15.754   76.183   21.391 32.00708 26.56636 
1 1 1    2    4   59 o   39.962   12.121   0.1455   4.6703   1.9309   7.0758  -1.2326   6.2168   43.456   18.123   36.469   16.101 6.986980 24.24181 
1 1 1    2    4   60 o   65.293   12.822   12.932   4.8666   8.4728   7.1323   16.817   6.6569   55.481   19.355   75.104   16.821 -19.62360 25.64314 
1 1 1    2    4   61 o   92.578   15.628   26.955   7.6716   27.748   11.548   26.329   10.264   93.286   23.044   91.871   21.117 1.415245 31.25621 
1 1 1    2    4   62 o   59.989   16.114   8.9800   7.6403   1.8432   11.649   14.367   10.121   51.895   22.491   68.084   23.082 -16.18856 32.22808 
1 1 1    2    4   63 o  152.524   7.3472   65.522   5.9944   57.986   8.7411   72.212   8.2361  143.747   11.253  161.302   9.4492 -17.55478 14.69435 
1 1 1    2    4   64 o  192.438   6.4714  103.888   6.6559   95.226   9.8976  111.038   8.9931  184.568   9.9240  200.308   8.3085 -15.73993 12.94280 
1 1 1    2    4   65 o   68.228   13.393   14.532   5.4600   22.160   8.0123   7.9186   7.4604   83.633   18.243   52.822   19.614 30.81041 26.78629 
1 1 1    2    4   66 o  179.243   7.2254   90.641   6.9905   89.854   10.097   91.365   9.6877  178.301   10.480  180.186   9.9497 -1.885086 14.45081 
1 1 1    2    4   67 o  100.118   11.255   30.209   6.0800   30.685   8.4267   29.692   8.7810  101.273   15.399   98.964   16.420 2.309174 22.51084 
1 1 1    2    4   68 o   60.305   14.074   12.236   5.8766   19.273   8.2685   5.0542   8.3535   73.724   20.171   46.885   19.634 26.83827 28.14882 
1 1 1    2    4   69 o   75.480   14.150   20.310   6.0199   25.396   8.5349   15.275   8.4921   86.295   18.832   64.665   21.124 21.62988 28.29973 
1 1 1    2    5    0 o  1174.93   19.884  3736.04  126.240  3736.04  126.240   0.0000   0.0000  1174.93   19.884  ?   ?       ?      ? 
1 1 1    2    5    1 o  511.143   6.5285  706.135   18.032  709.543   25.609  702.784   25.394  512.366   9.2497  509.920   9.2158 2.445435 13.05709 
1 1 1    2    5    2 o  933.379   15.893  2356.49   80.161   0.0000   0.0000  2356.49   80.161  ?   ?   933.379   15.893      ?      ? 
1 1 1    2    5   10 o  840.563   10.197  1910.39   46.314  1901.16   65.231  1919.77   65.768  838.517   14.396  842.608   14.444 -4.091003 20.39359 
1 1 1    2    5   11 o  929.045   11.208  2334.27   56.267  2343.75   79.898  2324.95   79.252  930.914   15.883  927.176   15.818 3.738159 22.41643 
1 1 1    2    5   12 o  1292.55   15.407  4523.43  107.608  4532.56  152.485  4514.38  151.878  1293.84   21.810  1291.25   21.767 2.591431 30.81367 
1 1 1    2    5   13 o  571.134   10.182  881.773   31.425   0.0000   0.0000  881.773   31.425  ?   ?   571.134   10.182      ?      ? 
1 1 1    2    5   14 o  1238.08   14.791  4149.91   98.938  4105.35  138.380  4196.51  141.512  1231.30   20.798  1244.86   21.037 -13.56262 29.58241 
1 1 1    2    5   15 o  606.086   10.724  993.132   35.123   0.0000   0.0000  993.132   35.123  ?   ?   606.086   10.724      ?      ? 
1 1 1    2    5   16 o  495.422   6.3897  663.169   17.099  650.202   23.790  677.027   24.594  490.417   8.9773  500.427   9.0951 -10.01010 12.77939 
1 1 1    2    5   17 o  931.964   11.262  2352.59   56.717  2356.90   80.416  2348.32   80.005  932.809   15.954  931.118   15.901 1.691101 22.52466 
1 1 1    2    5   18 o  915.735   11.080  2271.30   54.820  2249.33   76.797  2294.12   78.280  911.232   15.596  920.237   15.742 -9.005310 22.15991 
1 1 1    2    5   19 o  926.250   11.201  2324.58   56.063  2318.14   79.082  2331.09   79.490  924.963   15.822  927.538   15.860 -2.574768 22.40240 
1 1 1    2    5   20 o  433.997   5.7748  508.754   13.533  495.231   18.714  523.579   19.595  427.961   8.0922  440.033   8.2407 -12.07190 11.54958 
1 1 1    2    5   21 o  417.919   5.6338  471.397   12.708  454.938   17.461  489.930   18.529  410.182   7.8779  425.657   8.0559 -15.47510 11.26759 
1 1 1    2    5   22 o  389.215   5.3614  409.581   11.276  405.859   15.855  413.391   16.039  387.426   7.5732  391.004   7.5913 -3.577942 10.72287 
1 1 1    2    5   23 o  589.560   7.4356  940.598   23.688  935.175   33.356  946.115   33.645  587.848   10.501  591.273   10.530 -3.425903 14.87116 
1 1 1    2    5   24 o  540.956   6.9230  791.537   20.233  800.053   28.944  783.399   28.295  543.797   9.8501  538.115   9.7308 5.681091 13.84601 
1 1 1    2    5   25 o  1026.72   12.387  2859.39   68.716  2839.80   96.510  2879.54   97.863  1023.17   17.456  1030.27   17.578 -7.103577 24.77310 
1 1 1    2    5   26 o  714.419   12.436  1384.21   48.004  1375.00   67.382  1393.69   68.404  712.018   17.513  716.819   17.660 -4.800720 24.87124 
1 1 1    2    5   27 o  794.341   13.724  1709.05   58.831  1661.04   80.776  1763.29   85.855  782.529   19.103  806.152   19.709 -23.62360 27.44719 
1 1 1    2    5   28 o  422.200   6.9791  483.898   15.217  488.318   18.961  475.901   25.506  424.982   8.2568  419.418   11.254 5.563843 13.95811 
1 1 1    2    5   29 o  377.432   5.3734  385.031   10.958  380.305   15.366  389.921   15.632  375.077   7.5815  379.788   7.6168 -4.711517 10.74688 
1 1 1    2    5   30 o  1234.78   14.794  4132.95   98.685  4190.24  141.590  4078.82  137.619  1243.07   21.079  1226.50   20.765 16.57239 29.58873 
1 1 1    2    5   31 o  842.853   14.573  1922.55   66.371  1922.55   66.371   0.0000   0.0000  842.853   14.573  ?   ?       ?      ? 
1 1 1    2    5   32 f  535.161   9.9502  775.056   28.773  767.117   40.550  783.108   40.835  532.399   14.095  537.923   14.048 -5.523438 19.90039 
1 1 1    2    5   33 o  423.417   8.4942  484.982   19.434  478.829   27.394  491.216   27.574  420.712   12.050  426.123   11.975 -5.410583 16.98838 
1 1 1    2    5   34 o  500.749   8.2580  676.323   20.834  683.784   36.967  672.850   25.222  502.658   13.610  498.840   9.3567 3.818054 16.51603 
1 1 1    2    5   35 o  461.739   7.8015  580.870   18.457  590.079   22.835  563.513   31.349  467.146   9.0459  456.332   12.713 10.81403 15.60301 
1 1 1    2    5   36 o  988.072   14.749  2644.58   73.923  2632.78   90.080  2668.92  129.361  985.538   16.915  990.607   24.166 -5.068909 29.49787 
1 1 1    2    5   37 o  1274.80   18.871  4428.27  122.328  4430.18  212.497  4427.32  149.603  1273.15   30.888  1276.45   21.689 -3.299438 37.74231 
1 1 1    2    5   38 o  842.309   12.746  1934.35   54.925  1893.47   93.775  1955.70   67.765  834.954   20.784  849.665   14.759 -14.71088 25.49178 
1 1 1    2    5   39 o  871.559   10.699  2058.72   50.389  2047.65   70.966  2069.99   71.558  869.199   15.109  873.919   15.153 -4.720642 21.39871 
1 1 1    2    5   40 o  425.966   6.1930  490.747   14.253  492.262   20.315  489.278   20.004  426.610   8.8124  425.321   8.7037 1.289032 12.38599 
1 1 1    2    5   41 o  287.025   5.4596  222.650   8.4642  214.272   11.797  231.537   12.151  281.464   7.7566  292.587   7.6854 -11.12305 10.91925 
1 1 1    2    5   42 o  140.555   7.3487   53.483   5.5800   53.510   7.9823   53.457   7.8034  140.587   10.507  140.524   10.277 0.6346130E-01 14.69739 
1 1 1    2    5   43 o  266.473   6.4465  195.119   8.9271  181.216   14.518  203.571   11.320  258.647   10.388  274.300   7.6371 -15.65244 12.89304 
1 1 1    2    5   44 o  388.788   5.9441  408.792   12.481  420.407   18.027  398.099   17.297  394.082   8.4652  383.494   8.3468 10.58798 11.88822 
1 1 1    2    5   45 o  438.490   7.5857  523.387   17.173  528.469   21.398  514.189   28.787  441.724   8.9645  435.256   12.240 6.467224 15.17134 
1 1 1    2    5   46 o  161.850   6.4975   70.504   5.6581   80.307   8.3729   62.266   7.6759  172.142   9.0012  151.558   9.3726 20.58362 12.99492 
1 1 1    2    5   47 o  197.074   5.8457  105.260   6.2230  108.762   8.8221  101.792   8.7795  200.345   8.1490  193.803   8.3834 6.542221 11.69137 
1 1 1    2    5   48 o  445.868   6.3403  539.326   15.275  532.595   21.566  546.104   21.639  443.067   9.0075  448.668   8.9253 -5.600464 12.68051 
1 1 1    2    5   49 o  340.482   5.6033  314.276   10.303  319.305   14.882  309.646   14.277  343.079   8.0275  337.885   7.8197 5.193970 11.20660 
1 1 1    2    5   50 o  238.616   5.4045  154.509   6.9648  150.795   9.9306  158.104   9.7708  235.775   7.7946  241.458   7.4886 -5.682968 10.80900 
1 1 1    2    5   51 o  204.096   5.5455  113.224   6.1041  110.782   8.8563  115.434   8.4248  201.962   8.1151  206.230   7.5600 -4.267914 11.09091 
1 1 1    2    5   52 o  273.877   5.3437  203.569   7.8958  206.739   11.533  200.772   10.833  275.848   7.7371  271.907   7.3728 3.940643 10.68740 
1 1 1    2    5   53 o  178.376   5.9259   86.752   5.6970   83.771   8.2726   89.442   7.8570  175.401   8.7281  181.350   8.0177 -5.949142 11.85177 
1 1 1    2    5   54 o  248.397   5.4128  168.025   7.2594  162.846   10.364  173.013   10.172  244.593   7.8413  252.201   7.4636 -7.607727 10.82552 
1 1 1    2    5   55 o  220.545   5.5870  132.783   6.6382  129.226   9.6964  135.920   9.1070  217.677   8.2434  223.413   7.5436 -5.736343 11.17407 
1 1 1    2    5   56 o  111.684   11.223   35.399   6.5056   43.739   9.4490   27.883   8.9702  125.375   13.947   97.994   17.586 27.38168 22.44551 
1 1 1    2    5   57 o  220.109   7.6118  133.647   9.0524  136.531   12.856  130.811   12.749  222.495   10.693  217.724   10.836 4.770828 15.22364 
1 1 1    2    5   58 o  125.298   7.8192   43.360   5.2874   45.212   7.7189   41.722   7.2574  127.781   11.179  122.814   10.936 4.966965 15.63834 
1 1 1    2    5   59 o   35.702   11.385  -2.6979   4.6582  -3.9662   6.8563  -1.6106   6.3482   35.057   16.055   36.348   16.147 -1.290607 22.77062 
1 1 1    2    5   60 o  141.337   7.1496   55.303   5.4573   57.979   7.7981   52.734   7.6398  144.734   9.9707  137.939   10.250 6.794785 14.29928 
1 1 1    2    5   61 o  195.873   9.2579  108.877   9.7379  104.978   14.427  112.140   13.198  192.082   13.900  199.665   12.232 -7.582855 18.51576 
1 1 1    2    5   62 o  114.625   14.093   40.805   8.3479   34.865   12.453   45.653   11.250  104.349   22.729  124.901   16.668 -20.55193 28.18561 
1 1 1    2    5   63 o   96.985   13.530   32.844   6.2671   19.378   11.306   38.817   7.5299   76.723   24.311  117.246   11.885 -40.52287 27.06067 
1 1 1    2    5   64 o  143.393   7.5617   56.998   5.8012   69.517   8.7375   47.128   7.7580  157.499   10.266  129.286   11.105 28.21275 15.12331 
1 1 1    2    5   65 o  160.901   7.2830   73.238   6.2960   73.397   9.4136   73.109   8.4688  160.666   10.843  161.135   9.7262 -0.4694519 14.56599 
1 1 1    2    5   66 o   52.601   13.950   7.3390   5.5349   3.8005   7.9585   10.654   7.7029   46.632   19.315   58.570   20.132 -11.93839 27.89926 
1 1 1    2    5   67 o  105.998   10.484   33.805   5.9932   33.915   8.2456   33.682   8.7259  106.541   14.323  105.455   15.313 1.086113 20.96711 
1 1 1    2    5   68 o   43.143   13.001   1.0204   5.7742  -6.0831   8.2939   7.7018   8.0438   35.043   16.573   51.243   20.036 -16.19954 26.00181 
1 1 1    2    5   69 o  153.889   7.8329   69.582   6.5125   69.561   9.2887   69.602   9.1335  153.751   11.180  154.027   10.974 -0.2764130 15.66580 
1 1 1    2    6    2 o  1036.67   17.590  2907.53   98.535   0.0000   0.0000  2907.53   98.535  ?   ?   1036.67   17.590      ?      ? 
1 1 1    2    6    3 o  919.810   22.208  2290.54  110.381  2290.54  110.381   0.0000   0.0000  919.810   22.208  ?   ?       ?      ? 
1 1 1    2    6    4 f  1042.28   12.514  2938.73   70.479  2937.70   99.653  2939.76   99.693  1042.10   17.697  1042.46   17.698 -0.3660889 25.02764 
1 1 1    2    6    7 o  1177.69   14.094  3752.75   89.691  3757.06  127.009  3748.46  126.675  1178.36   19.947  1177.02   19.917 1.348022 28.18769 
1 1 1    2    6    9 o  875.273   10.604  2071.43   50.149  2053.60   70.325  2089.88   71.533  871.444   14.934  879.101   15.059 -7.656616 21.20830 
1 1 1    2    6   10 o  792.984   13.678  1700.35   58.609   0.0000   0.0000  1700.35   58.609  ?   ?   792.984   13.678      ?      ? 
1 1 1    2    6   11 o  503.495   6.4844  685.157   17.641  689.517   25.118  680.914   24.782  505.075   9.2033  501.916   9.1373 3.159576 12.96879 
1 1 1    2    6   12 o  1017.22   12.252  2799.67   67.339  2777.16   94.493  2822.89   95.988  1013.08   17.261  1021.37   17.392 -8.294617 24.50356 
1 1 1    2    6   13 o  1692.49   20.108  7771.25  183.885  7710.14  257.897  7834.45  262.265  1685.76   28.311  1699.23   28.563 -13.47290 40.21656 
1 1 1    2    6   14 o  402.462   5.4605  437.782   11.875  438.333   16.850  437.238   16.739  402.714   7.7431  402.211   7.7016 0.5025940 10.92104 
1 1 1    2    6   15 o  271.524   4.3001  198.990   6.3050  191.158   8.7342  207.513   9.1110  265.952   6.0776  277.095   6.0848 -11.14352 8.600147 
1 1 1    2    6   16 f  363.675   5.0939  356.930   9.9984  369.413   14.579  345.846   13.738  369.666   7.2987  357.685   7.1077 11.98041 10.18776 
1 1 1    2    6   17 o  820.077   10.012  1820.86   44.364  1831.64   63.189  1810.38   62.302  822.463   14.218  817.691   14.100 4.771484 20.02405 
1 1 1    2    6   18 o  563.752   7.1487  859.368   21.772  846.134   30.382  873.338   31.216  559.296   10.053  568.208   10.167 -8.912292 14.29745 
1 1 1    2    6   19 o  491.596   6.3896  653.581   16.974  653.257   24.029  653.904   23.980  491.474   9.0478  491.718   9.0248 -0.2444458 12.77930 
1 1 1    2    6   20 o  834.745   10.171  1887.44   45.878  1876.52   64.544  1898.61   65.224  832.308   14.351  837.183   14.418 -4.874695 20.34260 
1 1 1    2    6   21 o  261.711   4.3303  185.160   6.1234  182.165   8.6568  188.158   8.6626  259.592   6.1713  263.831   6.0763 -4.238190 8.660622 
1 1 1    2    6   22 o  586.003   7.4068  929.190   23.452  920.657   32.919  937.983   33.419  583.275   10.445  588.732   10.505 -5.457275 14.81352 
1 1 1    2    6   23 o  610.746   7.6829  1009.44   25.354  1002.19   35.647  1016.85   36.070  608.530   10.841  612.961   10.890 -4.431152 15.36578 
1 1 1    2    6   24 o  651.214   9.8936  1154.59   33.148  1129.50   55.929  1168.17   41.155  645.470   16.035  656.958   11.593 -11.48785 19.78713 
1 1 1    2    6   25 o  812.838   14.025  1793.89   61.596  1809.01   87.876  1779.28   86.363  816.187   19.925  809.489   19.744 6.697510 28.05013 
1 1 1    2    6   26 o  424.495   8.0040  487.257   18.352  477.477   25.510  497.748   26.422  420.088   11.238  428.903   11.400 -8.815399 16.00793 
1 1 1    2    6   27 o  985.019   11.943  2622.42   63.430  2531.92   86.365  2728.39   93.460  966.678   16.534  1003.36   17.238 -36.68213 23.88523 
1 1 1    2    6   28 f  451.910   6.0962  552.170   14.887  549.506   21.027  554.848   21.080  450.816   8.6314  453.003   8.6114 -2.186493 12.19245 
1 1 1    2    6   29 o  799.354   9.8079  1728.88   42.357  1747.67   60.593  1710.93   59.234  803.593   13.954  795.116   13.786 8.476196 19.61574 
1 1 1    2    6   30 o  686.275   8.5599  1273.79   31.740  1283.91   45.283  1264.01   44.502  688.950   12.163  683.599   12.047 5.351501 17.11972 
1 1 1    2    6   31 o  671.958   10.328  1227.76   35.549  1240.21   43.902  1204.05   60.582  677.117   11.999  666.799   16.814 10.31799 20.65586 
1 1 1    2    6   32 o  305.921   7.4371  252.947   12.290  245.946   17.137  260.360   17.636  301.565   10.517  310.277   10.519 -8.711212 14.87414 
1 1 1    2    6   33 o  426.471   8.6609  490.907   19.934  468.468   27.381  516.216   29.079  416.128   12.177  436.813   12.320 -20.68533 17.32172 
1 1 1    2    6   34 o  971.456   11.794  2555.38   61.894  2518.21   86.295  2594.76   88.822  964.200   16.563  978.711   16.795 -14.51093 23.58804 
1 1 1    2    6   35 o  1360.76   20.108  5026.01  138.444  4990.12  168.223  5101.35  243.710  1355.26   22.971  1366.27   33.010 -11.00647 40.21610 
1 1 1    2    6   36 o  827.805   12.547  1863.80   52.973  1842.34   91.247  1874.71   65.059  823.675   20.501  831.935   14.472 -8.259644 25.09451 
1 1 1    2    6   37 o  586.528   9.4895  929.803   28.039  936.036   49.704  926.893   33.958  587.742   15.650  585.314   10.737 2.428223 18.97895 
1 1 1    2    6   38 o  817.120   10.098  1808.78   44.589  1802.18   62.947  1815.42   63.170  815.625   14.282  818.615   14.281 -2.989990 20.19686 
1 1 1    2    6   39 o  625.131   8.0484  1057.71   27.188  1053.58   38.424  1061.86   38.474  623.907   11.397  626.356   11.367 -2.449036 16.09690 
1 1 1    2    6   40 o  481.331   6.6553  626.814   17.309  628.407   24.615  625.256   24.345  481.933   9.4520  480.729   9.3718 1.203979 13.31052 
1 1 1    2    6   41 o  727.237   9.1412  1433.13   35.919  1442.95   51.201  1423.62   50.404  729.680   12.985  724.795   12.869 4.885803 18.28231 
1 1 1    2    6   42 o  198.112   6.0112  106.020   6.4294  112.176   9.2994  100.382   8.8988  203.614   8.4520  192.609   8.5500 11.00410 12.02242 
1 1 1    2    6   43 f  279.412   5.5175  211.214   8.3272  213.106   11.968  209.438   11.593  280.620   7.8928  278.205   7.7119 2.415253 11.03492 
1 1 1    2    6   44 o  669.393   10.394  1213.27   35.352  1231.98   61.745  1204.15   43.120  672.537   16.990  666.248   11.977 6.288208 20.78743 
1 1 1    2    6   45 o  365.832   6.9705  360.629   13.186  355.546   16.362  370.045   22.270  362.341   8.3566  369.323   11.159 -6.981354 13.94105 
1 1 1    2    6   46 o  351.811   6.8024  337.414   12.453  342.328   15.692  329.054   20.467  355.472   8.1691  348.150   10.879 7.322876 13.60471 
1 1 1    2    6   47 o  140.027   6.9200   53.062   5.2263   57.807   7.6005   48.806   7.1982  145.958   9.6366  134.096   9.9339 11.86174 13.84006 
1 1 1    2    6   48 o  333.775   5.6052  301.523   10.094  311.311   14.767  292.939   13.830  338.829   8.0656  328.720   7.7857 10.10947 11.21030 
1 1 1    2    6   49 o  156.704   6.3809   66.640   5.3936   67.552   7.8883   65.840   7.3915  157.689   9.2575  155.720   8.7842 1.968933 12.76174 
1 1 1    2    6   50 o  372.428   5.7887  376.543   11.649  373.074   16.531  379.965   16.418  370.710   8.2521  374.146   8.1204 -3.435974 11.57749 
1 1 1    2    6   51 o  108.065   8.5419   31.626   4.8733   42.060   7.2919   23.204   6.5513  124.141   10.870   91.990   13.179 32.15125 17.08390 
1 1 1    2    6   52 o  133.866   6.9313   48.089   4.9724   57.165   7.5740   41.215   6.5919  144.805   9.6795  122.927   9.9237 21.87844 13.86268 
1 1 1    2    6   53 o  396.474   5.9685  427.960   12.785  426.712   18.222  429.170   17.942  395.877   8.5184  397.071   8.3622 -1.194061 11.93691 
1 1 1    2    6   54 o  407.917   6.1230  453.941   13.488  453.943   19.415  453.939   18.753  407.849   8.8093  407.985   8.5065 -0.1356506 12.24597 
1 1 1    2    6   55 f   77.146   14.347   17.709   6.1025   15.061   8.8093   20.153   8.4617   71.632   21.238   82.661   19.295 -11.02898 28.69405 
1 1 1    2    6   56 o  361.183   7.9895  359.157   15.578  373.649   22.660  346.171   21.450  368.017   11.395  354.350   11.202 13.66736 15.97901 
1 1 1    2    6   57 o  109.201   8.4252   32.711   4.9418   36.485   7.5063   29.825   6.5655  114.652   12.116  103.751   11.711 10.90106 16.85047 
1 1 1    2    6   58 o  321.278   5.6352  282.727   9.7785  277.972   13.969  287.296   13.693  318.550   8.1152  324.007   7.8208 -5.456696 11.27038 
1 1 1    2    6   59 o  194.328   5.9583  103.950   6.2386   96.909   8.9368  110.642   8.7129  187.749   8.8088  200.906   8.0257 -13.15649 11.91661 
1 1 1    2    6   60 o  181.990   6.2254   90.848   6.1064  100.172   8.9580   82.756   8.3460  190.717   8.6923  173.262   8.9143 17.45518 12.45071 
1 1 1    2    6   61 o  162.039   10.397   74.142   9.0045   83.243   14.047   67.793   11.732  169.965   15.295  154.113   14.088 15.85175 20.79408 
1 1 1    2    6   62 o  259.884   8.6965  190.791   12.139  189.572   18.139  191.779   16.336  258.490   12.986  261.278   11.571 -2.788269 17.39301 
1 1 1    2    6   63 o  120.423   11.575   40.374   6.5639   47.883   13.363   37.986   7.5357  125.090   19.769  115.757   12.047 9.333633 23.15065 
1 1 1    2    6   64 o   71.246   13.777   16.266   5.4772   14.627   8.0937   17.651   7.4395   67.574   20.431   74.918   18.489 -7.343773 27.55486 
1 1 1    2    6   65 o   81.332   12.716   21.245   5.5869   15.824   8.1322   26.092   7.6887   69.111   20.383   93.553   15.209 -24.44140 25.43210 
1 1 1    2    6   67 o  214.185   6.5307  130.692   7.5483  123.189   10.671  138.205   10.678  207.701   9.5081  220.668   8.9553 -12.96648 13.06149 
1 1 1    2    6   68 o  120.947   9.5602   43.691   6.2303   43.535   9.1346   43.826   8.5194  120.281   14.054  121.612   12.964 -1.330811 19.12030 
1 1 1    2    6   69 o   49.642   14.037   7.5895   5.6995   8.5930   8.2523   6.6743   7.8811   51.315   20.224   47.970   19.471 3.345287 28.07348 
1 1 1    2    7    1 o  461.092   6.0767  574.036   15.130  588.689   21.894  560.640   20.933  466.718   8.6812  455.466   8.5053 11.25226 12.15332 
1 1 1    2    7    2 o  1161.36   19.640  3649.25  123.250   0.0000   0.0000  3649.25  123.250  ?   ?   1161.36   19.640      ?      ? 
1 1 1    2    7    3 o  365.735   6.2152  366.216   11.766  344.595   19.389  378.819   14.803  357.063   10.049  374.407   7.3168 -17.34442 12.43041 
1 1 1    2    7    6 o  967.944   11.675  2533.90   61.060  2550.65   86.880  2517.55   85.833  971.102   16.556  964.786   16.464 6.315796 23.34908 
1 1 1    2    7    7 o  558.373   10.048  842.729   30.316  842.729   30.316   0.0000   0.0000  558.373   10.048  ?   ?       ?      ? 
1 1 1    2    7   10 o  135.756   5.9956   49.803   4.3982   0.0000   0.0000   49.803   4.3982  ?   ?   135.756   5.9956      ?      ? 
1 1 1    2    7   11 o  568.378   7.2037  872.967   22.119  859.571   30.843  887.152   31.737  563.893   10.122  572.864   10.252 -8.971375 14.40733 
1 1 1    2    7   13 o  615.424   7.7166  1023.93   25.657  1035.07   36.713  1013.30   35.871  618.693   10.982  612.156   10.844 6.536072 15.43329 
1 1 1    2    7   14 o  510.164   6.5913  703.708   18.169  707.735   25.882  699.795   25.513  511.602   9.3621  508.727   9.2808 2.874115 13.18264 
1 1 1    2    7   15 o  1017.63   12.271  2806.84   67.478  2811.93   95.687  2801.81   95.171  1018.54   17.385  1016.72   17.323 1.822449 24.54239 
1 1 1    2    7   17 o  316.864   4.7671  271.332   8.1596  274.418   11.714  268.424   11.373  318.612   6.8039  315.116   6.6788 3.495758 9.534101 
1 1 1    2    7   18 o  562.233   10.122  855.122   30.752   0.0000   0.0000  855.122   30.752  ?   ?   562.233   10.122      ?      ? 
1 1 1    2    7   19 o   68.296   6.8827   13.317   2.3699   9.9345   3.5517   16.031   3.1818   59.591   11.446   77.000   7.6471 -17.40981 13.76531 
1 1 1    2    7   20 o  225.157   4.1937  136.758   5.0956  142.298   7.4446  131.874   6.9894  229.437   6.0047  220.877   5.8560 8.560242 8.387431 
1 1 1    2    7   21 o  355.417   5.1136  341.347   9.8176  333.067   13.673  350.159   14.106  350.971   7.2095  359.862   7.2538 -8.890564 10.22713 
1 1 1    2    7   22 f  138.063   5.0978   52.283   3.6685   48.581   5.9254   54.584   4.6716  134.028   8.1814  142.098   6.0840 -8.069336 10.19564 
1 1 1    2    7   23 o  627.704   11.065  1067.99   37.529  1070.72   53.324  1065.31   52.828  628.491   15.701  626.916   15.594 1.574585 22.12962 
1 1 1    2    7   24 o  227.171   5.7110  139.591   7.0084  137.027   9.9710  142.095   9.8529  225.105   8.1972  229.236   7.9541 -4.130463 11.42200 
1 1 1    2    7   25 o  882.115   13.170  2099.38   58.846  2078.47   71.513  2143.24  103.561  875.944   15.108  888.285   21.575 -12.34167 26.33923 
1 1 1    2    7   26 o  429.329   5.8580  498.346   13.590  493.769   19.155  502.985   19.283  427.344   8.2952  431.314   8.2737 -3.970612 11.71593 
1 1 1    2    7   27 o  664.730   8.3337  1195.25   29.930  1181.06   41.913  1210.01   42.756  660.710   11.740  668.751   11.832 -8.040894 16.66737 
1 1 1    2    7   28 o  979.971   11.868  2600.71   62.837  2574.59   88.036  2627.85   89.716  974.965   16.710  984.977   16.856 -10.01172 23.73524 
1 1 1    2    7   29 o  683.228   8.5346  1262.43   31.505  1247.87   44.141  1277.56   44.982  679.214   12.027  687.242   12.113 -8.027832 17.06913 
1 1 1    2    7   30 o  1046.47   15.494  2979.86   82.979  3001.02  102.307  2939.19  141.859  1052.57   17.987  1040.38   25.234 12.18530 30.98836 
1 1 1    2    7   31 o  745.660   13.182  1506.64   53.111  1515.54   75.596  1497.97   74.634  747.825   18.707  743.494   18.577 4.331360 26.36402 
1 1 1    2    7   32 o  1229.31   21.001  4113.55  139.473  4164.41  199.918  4065.31  194.677  1236.65   29.917  1221.98   29.482 14.66492 42.00285 
1 1 1    2    7   33 o  1167.60   17.244  3715.46  102.967  3664.41  176.252  3741.92  126.868  1160.47   28.107  1174.73   19.986 -14.25879 34.48815 
1 1 1    2    7   34 o  521.125   8.5923  728.092   22.473  716.948   27.050  752.928   40.380  514.884   9.7222  527.365   14.170 -12.48145 17.18458 
1 1 1    2    7   35 o  970.845   11.824  2553.45   62.000  2597.07   89.390  2513.02   86.066  978.796   16.901  962.894   16.541 15.90234 23.64838 
1 1 1    2    7   36 o  964.613   14.553  2498.53   70.173  2601.35  127.177  2453.52   84.141  977.821   24.069  951.405   16.366 26.41602 29.10640 
1 1 1    2    7   37 o  422.328   6.1781  482.356   14.099  481.249   19.948  483.461   19.931  421.844   8.7509  422.813   8.7235 -0.9695435 12.35629 
1 1 1    2    7   38 f  854.937   10.533  1979.10   48.627  1934.82   67.319  2027.41   70.316  844.972   14.744  864.901   15.045 -19.92865 21.06503 
1 1 1    2    7   39 o  465.176   6.5598  585.284   16.486  589.122   23.573  581.610   23.065  466.664   9.3482  463.688   9.2052 2.976105 13.11966 
1 1 1    2    7   40 o  874.333   10.764  2073.77   50.854  2087.08   72.426  2060.83   71.421  877.085   15.281  871.580   15.165 5.505066 21.52882 
1 1 1    2    7   41 o  671.346   8.5525  1220.99   31.026  1214.90   43.743  1227.16   44.012  669.662   12.088  673.030   12.102 -3.368469 17.10506 
1 1 1    2    7   42 o   49.265   13.195   4.0560   4.9924   7.6777   7.1777   0.6620   6.9485   55.991   19.423   42.540   17.865 13.45141 26.39001 
1 1 1    2    7   43 o  300.726   5.5178  244.212   8.9547  254.977   13.082  234.721   12.284  306.944   7.8873  294.509   7.7186 12.43442 11.03563 
1 1 1    2    7   44 o  241.313   6.4320  157.369   8.1540  159.234   13.213  156.221   10.363  242.397   10.088  240.229   7.9828 2.167191 12.86404 
1 1 1    2    7   45 o   74.996   13.439   15.346   5.3341   19.149   8.7490   13.097   6.7296   81.977   19.941   68.014   18.022 13.96233 26.87828 
1 1 1    2    7   46 o  222.971   6.5409  129.554   7.5933  116.646   9.3651  154.324   12.973  207.469   8.3536  238.474   10.067 -31.00519 13.08177 
1 1 1    2    7   47 o  318.458   6.6081  276.822   10.971  281.551   13.870  268.919   17.931  322.302   7.9642  314.615   10.547 7.687256 13.21623 
1 1 1    2    7   48 o   61.663   10.216   7.7852   4.8299  -7.8330   6.9030   22.763   6.7601   32.064   15.150   91.261   13.708 -59.19691 20.43146 
1 1 1    2    7   49 o  367.770   5.7995  366.030   11.503  382.387   16.924  351.986   15.681  375.358   8.3439  360.182   8.0571 15.17575 11.59904 
1 1 1    2    7   50 f  365.706   5.7603  362.848   11.374  371.034   16.488  355.416   15.711  369.612   8.2552  361.799   8.0360 7.813782 11.52065 
1 1 1    2    7   51 o   93.940   9.5456   24.534   4.7751   22.049   7.1552   26.530   6.4119   89.442   14.804   98.438   12.054 -8.996239 19.09114 
1 1 1    2    7   52 o  277.743   5.4341  209.824   8.1484  201.107   11.578  218.377   11.470  271.982   7.8782  283.505   7.4868 -11.52304 10.86821 
1 1 1    2    7   53 o  156.324   7.3729   66.900   5.9496   66.689   10.006   67.015   7.3999  155.844   11.881  156.803   8.7334 -0.9590912 14.74583 
1 1 1    2    7   54 o  235.287   7.3002  151.638   9.2726  153.919   13.451  149.572   12.800  236.912   10.507  233.661   10.138 3.250107 14.60035 
1 1 1    2    7   55 o  241.028   7.4234  152.235   9.4264  116.194   12.026  209.662   15.180  205.598   10.825  276.458   10.162 -70.85979 14.84686 
1 1 1    2    7   56 o  118.536   8.1780   38.961   5.2202   37.130   7.5851   40.609   7.1953  115.748   12.127  121.325   10.975 -5.577026 16.35608 
1 1 1    2    7   57 o  202.991   5.8818  113.029   6.4341  109.148   9.3505  116.519   8.8671  199.561   8.6710  206.422   7.9495 -6.861511 11.76354 
1 1 1    2    7   58 o  143.310   7.0870   56.551   5.4781   59.433   8.0522   54.068   7.4743  146.656   10.161  139.965   9.8824 6.690903 14.17409 
1 1 1    2    7   59 o  171.983   6.2928   81.403   5.8397   81.364   8.4863   81.438   8.0482  171.859   9.1381  172.107   8.6539 -0.2481689 12.58551 
1 1 1    2    7   60 o   86.737   10.862   21.562   4.9424   26.302   7.4714   17.874   6.5903   96.057   14.394   77.417   16.271 18.64011 21.72381 
1 1 1    2    7   61 o  128.375   12.935   48.629   8.6000   62.410   12.903   37.613   11.536  146.333   16.317  110.418   20.074 35.91508 25.86938 
1 1 1    2    7   62 o  176.887   9.9674   89.748   9.4815   87.905   14.009   91.306   12.880  174.665   14.843  179.110   13.307 -4.445099 19.93487 
1 1 1    2    7   63 o   51.310   14.707   0.4527   5.8879   15.050   11.893  -4.2869   6.7767   68.730   24.887   33.889   15.679 34.84078 29.41447 
1 1 1    2    7   64 o  178.475   6.9247   89.593   6.6553   87.220   9.7407   91.671   9.1146  175.936   10.246  181.015   9.3183 -5.078796 13.84945 
1 1 1    2    7   65 o  248.997   6.1097  172.782   8.2084  173.865   11.951  171.815   11.294  249.535   8.8629  248.459   8.4120 1.075851 12.21936 
1 1 1    2    7   66 o  170.307   7.5290   82.598   6.8872   75.894   9.9951   88.659   9.5035  163.165   11.336  177.449   9.9111 -14.28365 15.05793 
1 1 1    2    7   67 o   98.875   11.629   31.516   6.0236   30.629   8.9555   32.250   8.1402   95.779   17.963  101.971   14.773 -6.192535 23.25774 
1 1 1    2    7   68 o   66.328   13.900   15.747   5.9173   7.6363   8.9652   22.007   7.8766   51.627   20.833   81.028   18.408 -29.40151 27.80030 
1 1 1    2    8    1 o  1360.95   19.864  5026.71  137.987  5002.25  237.730  5039.14  169.453  1357.72   32.403  1364.19   22.987 -6.465454 39.72869 
1 1 1    2    8    2 o  621.639   11.101  1044.62   37.290   0.0000   0.0000  1044.62   37.290  ?   ?   621.639   11.101      ?      ? 
1 1 1    2    8    3 o  695.407   10.507  1311.85   37.395  1295.27   63.953  1320.46   46.097  691.949   17.104  698.865   12.207 -6.916077 21.01307 
1 1 1    2    8    4 o  1713.58   28.889  7963.52  267.496   0.0000   0.0000  7963.52  267.496  ?   ?   1713.58   28.889      ?      ? 
1 1 1    2    8    6 o  1344.97   16.048  4899.22  116.619  4860.36  163.521  4939.44  166.365  1339.56   22.590  1350.38   22.799 -10.82288 32.09563 
1 1 1    2    8    7 o  383.368   5.3877  396.556   11.150  411.566   16.219  383.104   15.353  390.234   7.6913  376.501   7.5466 13.73325 10.77531 
1 1 1    2    8    8 o   88.774   5.9290   21.300   2.8433   21.292   3.9726   21.310   4.0714   88.756   8.2831   88.793   8.4855 -0.3701782E-01 11.85801 
1 1 1    2    8    9 f  725.588   8.9506  1423.53   35.091  1434.31   49.988  1413.06   49.273  728.293   12.702  722.883   12.614 5.410400 17.90123 
1 1 1    2    8   10 o  495.978   6.4727  664.652   17.341  676.094   24.928  653.923   24.140  500.111   9.2243  491.846   9.0827 8.264374 12.94543 
1 1 1    2    8   12 o  423.931   8.1337  485.858   18.632   0.0000   0.0000  485.858   18.632  ?   ?   423.931   8.1337      ?      ? 
1 1 1    2    8   14 o  377.229   5.3106  384.715   10.825  383.580   15.334  385.843   15.284  376.673   7.5335  377.785   7.4870 -1.111053 10.62117 
1 1 1    2    8   15 o  750.511   9.2397  1524.38   37.464  1542.94   53.658  1506.74   52.330  754.956   13.153  746.065   12.980 8.890564 18.47943 
1 1 1    2    8   16 o  521.870   6.7574  736.565   19.055  730.140   26.782  743.151   27.116  519.566   9.5394  524.173   9.5734 -4.606995 13.51483 
1 1 1    2    8   17 o  1230.81   14.795  4115.12   98.400  4102.49  138.925  4127.84  139.393  1228.92   20.920  1232.71   20.926 -3.788574 29.59005 
1 1 1    2    8   18 o  562.620   7.2024  856.360   21.896  850.360   30.861  862.442   31.072  560.636   10.187  564.605   10.185 -3.968628 14.40479 
1 1 1    2    8   19 f  701.978   8.7112  1334.19   33.044  1331.86   46.712  1336.52   46.749  701.365   12.325  702.591   12.314 -1.226257 17.42231 
1 1 1    2    8   20 o  657.641   11.561  1172.64   41.069  1190.31   59.058  1156.08   57.149  662.416   16.499  652.867   16.199 9.548096 23.12236 
1 1 1    2    8   21 o  338.761   6.8836  310.422   12.596  312.162   18.086  308.784   17.553  339.677   9.8532  337.845   9.6150 1.832123 13.76715 
1 1 1    2    8   22 f  447.634   8.3724  541.839   20.234  554.730   29.361  530.180   27.923  452.688   12.003  442.580   11.676 10.10754 16.74479 
1 1 1    2    8   23 o  781.742   11.753  1652.76   46.754  1644.45   57.134  1669.59   81.346  779.237   13.569  784.248   19.195 -5.010620 23.50675 
1 1 1    2    8   24 o  476.833   6.3452  614.698   16.347  604.801   22.872  625.034   23.372  472.911   8.9502  480.754   8.9967 -7.842773 12.69041 
1 1 1    2    8   25 o  882.259   10.754  2107.81   51.263  2087.95   71.861  2128.40   73.150  878.035   15.146  886.483   15.271 -8.447510 21.50783 
1 1 1    2    8   26 o  304.250   6.8996  250.222   11.343   0.0000   0.0000  250.222   11.343  ?   ?   304.250   6.8996      ?      ? 
1 1 1    2    8   27 o  651.158   8.2057  1146.96   28.872  1148.13   40.967  1145.81   40.698  651.486   11.637  650.831   11.572 0.6553345 16.41141 
1 1 1    2    8   28 o  1497.41   17.881  6088.98  144.682  6106.14  205.335  6072.06  203.895  1499.49   25.341  1495.33   25.234 4.157104 35.76217 
1 1 1    2    8   29 o  1096.47   16.241  3261.10   90.639  3259.90  110.918  3263.51  157.248  1096.93   18.713  1096.02   26.551 0.9119873 32.48268 
1 1 1    2    8   30 o  984.510   17.002  2631.49   90.447  2612.61  127.041  2650.90  128.798  980.945   23.967  988.075   24.123 -7.130249 34.00494 
1 1 1    2    8   31 o  749.684   13.276  1523.18   53.782  1518.47   75.902  1527.93   76.216  748.521   18.766  750.847   18.785 -2.325500 26.55221 
1 1 1    2    8   32 o  775.144   13.704  1626.57   57.340  1582.21   78.941  1676.13   83.426  764.004   19.121  786.283   19.635 -22.27899 27.40745 
1 1 1    2    8   33 o  441.304   7.7257  525.209   17.131  522.517   20.689  531.081   30.552  439.604   8.7095  443.005   12.763 -3.401001 15.45146 
1 1 1    2    8   34 o  430.956   6.1098  500.853   14.205  479.444   19.415  525.511   20.836  421.078   8.5328  440.835   8.7470 -19.75662 12.21964 
1 1 1    2    8   35 f  586.824   9.4440  931.068   27.984  936.261   49.374  928.611   33.967  587.802   15.544  585.846   10.730 1.955811 18.88790 
1 1 1    2    8   36 o  353.686   8.1211  338.249   15.521  338.249   15.521   0.0000   0.0000  353.686   8.1211  ?   ?       ?      ? 
1 1 1    2    8   37 o  318.200   5.6239  273.730   9.6686  279.739   13.790  267.919   13.560  321.634   7.9344  314.765   7.9722 6.869385 11.24774 
1 1 1    2    8   38 o  692.341   8.7763  1295.18   32.786  1251.29   44.917  1345.22   47.965  679.835   12.227  704.847   12.593 -25.01245 17.55253 
1 1 1    2    8   39 o  712.488   8.9943  1374.47   34.616  1348.11   48.155  1402.64   49.794  705.438   12.633  719.537   12.807 -14.09888 17.98867 
1 1 1    2    8   40 o  299.431   5.6563  242.275   9.1467  231.500   12.723  253.802   13.159  292.545   8.0483  306.317   7.9499 -13.77176 11.31266 
1 1 1    2    8   41 o  331.204   8.1656  296.801   14.614  296.801   14.614   0.0000   0.0000  331.204   8.1656  ?   ?       ?      ? 
1 1 1    2    8   42 o  445.973   6.3957  538.225   15.408  526.604   21.467  550.575   22.129  441.014   9.0079  450.932   9.0816 -9.918121 12.79134 
1 1 1    2    8   43 o  312.672   5.5647  264.587   9.4013  260.158   13.239  269.092   13.352  310.030   7.9026  315.313   7.8367 -5.282745 11.12944 
1 1 1    2    8   44 o  212.180   5.8577  121.959   6.7095  120.958   9.6850  122.883   9.3037  211.331   8.4810  213.030   8.0822 -1.698227 11.71534 
1 1 1    2    8   45 o  446.106   7.7048  538.619   17.572  545.495   30.301  535.135   21.570  447.899   12.520  444.312   8.9841 3.587616 15.40951 
1 1 1    2    8   46 f  467.966   6.6384  593.769   16.774  602.234   24.275  586.036   23.204  471.126   9.5354  464.807   9.2385 6.319244 13.27678 
1 1 1    2    8   47 o   68.775   13.903   13.172   5.4188   11.314   7.2517   15.520   8.1542   63.808   19.349   73.742   19.971 -9.934971 27.80692 
1 1 1    2    8   48 o  135.877   7.2902   50.069   5.3434   54.235   7.7878   46.364   7.3451  141.210   10.206  130.544   10.412 10.66528 14.58034 
1 1 1    2    8   49 o   41.818   12.187   0.3828   4.6367   4.6850   6.8144  -3.3261   6.3272   48.812   18.609   34.825   15.742 13.98691 24.37465 
1 1 1    2    8   50 o  274.712   5.4315  204.918   8.0559  205.003   11.637  204.841   11.163  274.738   7.8387  274.686   7.5207 0.5175781E-01 10.86309 
1 1 1    2    8   51 o  107.013   8.6489   30.918   4.9633   36.357   7.5490   26.777   6.5873  115.192   12.128   98.834   12.334 16.35811 17.29776 
1 1 1    2    8   52 o   54.322   13.864   6.4189   5.0691   10.063   8.5231   4.4244   6.3055   61.735   21.180   46.909   17.897 14.82553 27.72874 
1 1 1    2    8   53 o   64.989   14.643   11.892   5.7668   12.493   8.6582   11.412   7.7313   66.447   21.298   63.531   20.101 2.916199 29.28611 
1 1 1    2    8   54 o  325.200   7.4922  290.068   13.161  282.207   18.336  298.423   18.903  320.665   10.582  329.736   10.609 -9.071014 14.98438 
1 1 1    2    8   55 o  213.859   5.7275  123.849   6.5906  136.417   9.8895  113.808   8.8396  223.516   8.1880  204.202   8.0110 19.31445 11.45508 
1 1 1    2    8   56 o  131.589   7.3308   47.624   5.1898   48.639   7.7431   46.796   6.9930  132.751   10.794  130.426   9.9223 2.325760 14.66167 
1 1 1    2    8   57 o   41.372   12.340   0.9814   4.7833  -1.2837   7.0670   2.8964   6.4979   38.970   17.187   43.775   17.711 -4.805256 24.67943 
1 1 1    2    8   58 o  202.794   5.9195  112.644   6.4745  116.165   9.5071  109.598   8.8416  205.675   8.5542  199.913   8.1847 5.761414 11.83906 
1 1 1    2    8   59 o  100.161   9.4454   28.511   5.0680   26.176   7.4571   30.515   6.9088   95.985   14.377  104.337   12.254 -8.351295 18.89089 
1 1 1    2    8   60 o   73.677   12.848   16.448   5.1435   20.730   7.5046   12.656   7.0634   82.932   17.306   64.421   18.996 18.51164 25.69665 
1 1 1    2    8   61 o   77.784   17.429   19.324   8.2749   24.482   12.386   15.167   11.121   85.831   25.111   69.736   24.178 16.09550 34.85828 
1 1 1    2    8   62 o  124.581   13.207   46.702   8.8219   46.464   13.260   46.892   11.817  123.455   19.877  125.707   17.396 -2.251549 26.41401 
1 1 1    2    8   63 o  179.948   6.7934   88.437   6.5319  104.381   10.199   77.350   8.5051  193.313   9.7635  166.584   9.4484 26.72937 13.58671 
1 1 1    2    8   64 o  133.256   8.7132   52.476   6.0848   40.901   8.9364   62.482   8.3084  117.959   14.020  148.553   10.350 -30.59363 17.42643 
1 1 1    2    8   65 o  115.963   9.7968   38.955   6.0441   40.604   9.4721   37.823   7.8500  117.329   14.940  114.596   12.677 2.733276 19.59356 
1 1 1    2    8   66 o   43.677   13.002  -0.3323   5.6919   9.2233   8.5998  -7.7813   7.5930   55.066   20.927   32.288   15.435 22.77868 26.00321 
1 1 1    2    8   67 o   70.455   14.467   16.927   5.9424   22.930   8.9942   12.276   7.9163   81.130   20.506   59.780   20.413 21.34943 28.93432 
1 1 1    2    8   68 o  103.620   11.800   35.562   6.2359   29.473   9.3363   40.466   8.3789   92.033   19.386  115.208   13.459 -23.17419 23.59977 
1 1 1    2    9    1 o  380.720   6.4917  387.946   12.469  402.477   22.208  381.257   15.068  385.847   10.651  375.594   7.4241 10.25333 12.98331 
1 1 1    2    9    2 f  424.347   8.1119  486.685   18.601   0.0000   0.0000  486.685   18.601  ?   ?   424.347   8.1119      ?      ? 
1 1 1    2    9    3 o  327.591   5.9515  291.616   9.9824  285.135   17.017  295.016   12.326  324.781   9.6963  330.400   6.9039 -5.619019 11.90304 
1 1 1    2    9    4 o  953.814   11.551  2461.00   59.525  2485.76   85.046  2437.22   83.340  958.509   16.420  949.119   16.250 9.390259 23.10128 
1 1 1    2    9    5 f  382.192   5.4375  394.614   11.226  401.234   16.122  388.383   15.642  385.301   7.7433  379.082   7.6360 6.218842 10.87505 
1 1 1    2    9    6 o  888.471   10.815  2135.16   51.914  2158.06   74.196  2113.20   72.663  893.131   15.374  883.810   15.215 9.320679 21.62957 
1 1 1    2    9    8 o  128.527   4.8560   44.561   3.3668   48.421   4.8699   41.027   4.6596  133.849   6.7332  123.205   6.9990 10.64456 9.711935 
1 1 1    2    9   10 o  1475.54   17.639  5918.78  140.640  5948.06  199.932  5890.09  197.874  1479.13   25.014  1471.95   24.877 7.174927 35.27897 
1 1 1    2    9   12 o  264.105   4.5796  187.768   6.5208  200.223   9.6280  177.214   8.8629  272.162   6.5467  256.049   6.4057 16.11288 9.159262 
1 1 1    2    9   13 o  528.775   6.8505  756.222   19.574  752.172   27.598  760.322   27.766  527.350   9.6848  530.199   9.6915 -2.848755 13.70109 
1 1 1    2    9   14 o  734.967   9.1111  1462.17   36.181  1472.20   51.593  1452.46   50.753  737.441   12.947  732.493   12.823 4.948059 18.22213 
1 1 1    2    9   15 o  353.968   5.1781  338.645   9.9014  342.694   14.206  334.818   13.808  356.024   7.3840  351.913   7.2613 4.110992 10.35616 
1 1 1    2    9   16 o  115.146   5.2931   36.056   3.2652   34.037   4.8683   37.707   4.4021  112.193   8.0302  118.099   6.8981 -5.905937 10.58616 
1 1 1    2    9   17 o  435.291   7.2747  501.129   15.779  542.342   29.028  483.844   18.799  447.596   12.002  422.986   8.2245 24.61053 14.54941 
1 1 1    2    9   18 o  381.545   7.5428  392.360   15.517  369.369   21.113  419.369   22.883  369.445   10.576  393.646   10.758 -24.20065 15.08566 
1 1 1    2    9   19 o  286.791   6.4039  221.954   9.8980  229.505   14.633  215.586   13.439  291.267   9.2970  282.315   8.8096 8.952209 12.80789 
1 1 1    2    9   20 o  429.674   8.1683  499.265   18.950  510.360   27.469  489.189   26.176  434.215   11.707  425.134   11.394 9.080750 16.33668 
1 1 1    2    9   21 o  789.462   9.7396  1684.78   41.484  1632.09   56.784  1745.08   60.751  776.285   13.537  802.639   14.007 -26.35388 19.47930 
1 1 1    2    9   22 o  999.601   12.106  2709.56   65.389  2702.98   92.268  2716.20   92.680  998.386   17.103  1000.82   17.137 -2.430908 24.21140 
1 1 1    2    9   23 o  829.560   10.171  1863.48   45.590  1852.60   64.172  1874.57   64.780  827.119   14.358  832.000   14.409 -4.881226 20.34105 
1 1 1    2    9   24 o  360.450   5.3184  351.207   10.358  345.543   14.578  356.982   14.720  357.515   7.5462  363.386   7.4964 -5.871124 10.63683 
1 1 1    2    9   25 o  207.960   4.6263  116.245   5.1770  123.783   7.7624  110.205   6.9480  213.996   6.7128  201.923   6.3677 12.07300 9.252518 
1 1 1    2    9   26 o  465.573   6.3111  586.039   15.876  587.225   22.625  584.888   22.283  466.035   8.9842  465.111   8.8658 0.9236450 12.62218 
1 1 1    2    9   27 o  913.850   11.128  2260.80   54.952  2261.76   77.821  2259.84   77.608  914.042   15.756  913.658   15.719 0.3845215 22.25644 
1 1 1    2    9   28 o  362.146   6.8273  356.503   12.594  360.378   15.466  348.874   21.699  365.128   7.8388  359.164   11.180 5.964935 13.65458 
1 1 1    2    9   29 o  776.893   13.708  1635.50   57.537  1613.74   80.413  1658.33   82.362  771.612   19.286  782.174   19.487 -10.56293 27.41671 
1 1 1    2    9   30 o  754.171   13.375  1541.53   54.506  1544.82   77.356  1538.29   76.812  754.964   18.962  753.378   18.868 1.586060 26.74988 
1 1 1    2    9   31 o  652.550   11.838  1153.29   41.739  1146.40   58.668  1160.36   59.394  650.580   16.688  654.520   16.793 -3.940002 23.67513 
1 1 1    2    9   32 f  781.527   11.956  1652.12   47.363  1647.16   57.689  1662.39   82.961  780.098   13.685  782.956   19.609 -2.858826 23.91213 
1 1 1    2    9   33 o  831.735   12.692  1857.19   52.928  1826.86   63.642  1925.22   95.317  821.360   14.339  842.109   20.947 -20.74908 25.38440 
1 1 1    2    9   34 o  431.308   7.6898  512.779   17.063  471.171   28.299  536.546   21.388  417.200   12.553  445.416   8.8863 -28.21643 15.37969 
1 1 1    2    9   35 f  437.342   6.2877  517.159   14.856  521.595   21.279  512.940   20.750  439.168   8.9665  435.516   8.8172 3.651825 12.57542 
1 1 1    2    9   36 o  641.522   8.2317  1113.94   28.535  1113.51   40.457  1114.36   40.253  641.395   11.673  641.648   11.610 -0.2530518 16.46335 
1 1 1    2    9   37 o  427.609   6.3536  493.410   14.659  515.773   21.453  473.819   20.079  436.672   9.0915  418.546   8.8778 18.12521 12.70713 
1 1 1    2    9   38 o  482.275   6.7584  628.704   17.604  609.887   24.426  649.042   25.393  474.776   9.5208  489.774   9.5948 -14.99792 13.51686 
1 1 1    2    9   39 o  415.421   6.2106  466.850   13.941  460.262   19.577  473.627   19.856  412.448   8.7839  418.393   8.7825 -5.945801 12.42129 
1 1 1    2    9   40 o  432.029   6.3086  504.210   14.714  485.172   20.273  525.402   21.388  423.431   8.8601  440.628   8.9829 -17.19647 12.61720 
1 1 1    2    9   41 o  499.812   6.8915  676.172   18.606  661.008   25.908  692.323   26.739  494.034   9.7048  505.590   9.7870 -11.55661 13.78296 
1 1 1    2    9   42 o  645.616   8.3072  1130.16   28.976  1114.15   40.532  1146.89   41.441  640.951   11.703  650.281   11.793 -9.330200 16.61440 
1 1 1    2    9   43 o  398.113   6.0640  429.139   13.042  432.365   18.681  426.073   18.216  399.564   8.6523  396.662   8.4986 2.901550 12.12801 
1 1 1    2    9   44 o  395.609   6.0466  424.045   12.926  419.476   18.252  428.642   18.307  393.467   8.5846  397.752   8.5177 -4.284515 12.09324 
1 1 1    2    9   45 o  149.249   7.1457   60.515   5.7555   59.064   8.2915   61.864   7.9956  147.501   10.403  150.997   9.7992 -3.496231 14.29139 
1 1 1    2    9   46 f  443.625   7.7247  528.716   17.373  553.153   30.696  517.198   21.073  450.627   12.606  436.622   8.9318 14.00504 15.44940 
1 1 1    2    9   47 o  360.135   5.9027  351.637   11.481  340.932   15.946  363.161   16.545  354.453   8.3254  365.818   8.3698 -11.36429 11.80535 
1 1 1    2    9   48 o  131.422   8.5710   47.717   5.9611   50.585   7.8292   43.761   9.1951  136.326   10.628  126.519   13.450 9.807610 17.14203 
1 1 1    2    9   49 o  141.603   7.1001   54.727   5.4061   53.240   7.9906   55.982   7.3413  139.763   10.580  143.442   9.4713 -3.678574 14.20026 
1 1 1    2    9   50 o   50.287   11.608   4.0673   4.7120  -7.1989   7.0524   13.152   6.3331   33.003   15.507   67.571   17.277 -34.56782 23.21564 
1 1 1    2    9   51 o  106.343   11.563   32.616   6.2954   26.239   9.3608   37.883   8.5064   95.334   18.839  117.352   13.414 -22.01781 23.12667 
1 1 1    2    9   52 o  195.897   7.5648  105.103   7.9792  104.640   11.776  105.495   10.850  195.386   11.154  196.408   10.223 -1.021988 15.12964 
1 1 1    2    9   53 f  205.956   6.7375  116.280   7.3883  117.591   9.6900  114.459   11.419  207.569   8.6392  204.343   10.341 3.226257 13.47501 
1 1 1    2    9   54 o   95.136   9.8500   25.192   5.0551   24.386   7.2846   25.942   7.0207   93.572   14.407   96.700   13.436 -3.127510 19.69993 
1 1 1    2    9   55 o  227.593   5.7146  141.548   7.0153  141.553   10.232  141.545   9.6370  227.518   8.3225  227.667   7.8335 -0.1489563 11.42923 
1 1 1    2    9   56 o   72.977   12.572   15.646   4.9120   18.318   7.3133   13.450   6.6301   78.635   17.645   67.319   17.912 11.31615 25.14331 
1 1 1    2    9   57 o   41.567   12.367   1.1686   4.7868  -1.1310   7.1042   3.0809   6.4782   39.180   17.259   43.954   17.719 -4.773952 24.73498 
1 1 1    2    9   58 o  144.582   7.1444   57.696   5.5676   59.528   8.2193   56.142   7.5683  146.607   10.375  142.557   9.8248 4.050217 14.28880 
1 1 1    2    9   59 o   98.780   10.265   28.766   5.1934   23.628   7.7446   32.965   7.0007   89.125   16.694  108.436   11.948 -19.31142 20.52925 
1 1 1    2    9   60 o  100.513   12.623   28.701   6.3988   25.357   7.8077   35.541   11.167   93.662   15.427  107.365   19.984 -13.70262 25.24552 
1 1 1    2    9   61 o   45.354   14.487  -4.5009   7.8869 -12.4865   11.621   2.3176   10.739   39.898   19.079   50.810   21.804 -10.91224 28.97308 
1 1 1    2    9   62 o   84.745   16.705   22.945   8.5095   36.441   12.772   12.173   11.411  105.381   23.070   64.108   24.167 41.27295 33.41056 
1 1 1    2    9   63 o   58.331   12.919   9.4372   5.5318  -1.4674   8.2764   18.242   7.4371   40.642   18.219   76.019   18.320 -35.37791 25.83711 
1 1 1    2    9   64 o  184.211   6.9094   94.471   6.8321  104.357   10.421   87.019   9.0476  192.381   10.025  176.042   9.5111 16.33881 13.81871 
1 1 1    2    9   65 o   50.212   14.096   5.5987   5.8836   1.8188   8.6087   8.9118   8.0597   45.089   19.438   55.335   20.418 -10.24634 28.19118 
1 1 1    2    9   66 o  157.954   7.7696   72.191   6.6012   80.630   9.9143   65.471   8.8476  166.108   11.045  149.799   10.930 16.30887 15.53929 
1 1 1    2    9   67 o  125.963   9.2949   46.733   6.2911   51.808   9.5350   42.820   8.3720  131.738   13.394  120.188   12.891 11.54977 18.58980 
1 1 1    2   10    0 o  728.989   9.0420  1437.14   35.612  1420.89   49.803  1454.14   50.943  724.778   12.716  733.200   12.858 -8.421936 18.08405 
1 1 1    2   10    1 o  653.826   9.4147  1164.30   29.179  1140.09   56.912  1172.94   33.986  648.984   16.229  658.669   9.5489 -9.685181 18.82942 
1 1 1    2   10    2 o  463.537   9.0103  580.881   22.569   0.0000   0.0000  580.881   22.569  ?   ?   463.537   9.0103      ?      ? 
1 1 1    2   10    3 o  286.994   4.8109  222.579   7.4608   0.0000   0.0000  222.579   7.4608  ?   ?   286.994   4.8109      ?      ? 
1 1 1    2   10    4 o  295.037   5.7488  236.482   8.6544  231.757   14.866  238.904   10.644  292.769   9.3966  297.305   6.6256 -4.536011 11.49755 
1 1 1    2   10    9 o  688.161   8.6111  1281.57   32.021  1278.89   45.271  1284.25   45.298  687.441   12.187  688.882   12.169 -1.441772 17.22212 
1 1 1    2   10   10 o  166.226   4.7208   74.652   4.2379   71.131   5.9248   78.340   6.0643  162.214   6.7592  170.239   6.5922 -8.024765 9.441644 
1 1 1    2   10   11 o  686.944   8.5826  1276.76   31.851  1293.20   45.664  1261.19   44.448  691.240   12.225  682.647   12.050 8.593018 17.16520 
1 1 1    2   10   12 o  759.936   9.3934  1563.55   38.572  1555.07   54.311  1572.18   54.791  757.860   13.262  762.012   13.306 -4.151733 18.78674 
1 1 1    2   10   14 o  394.413   6.8531  421.362   13.768  419.144   23.821  422.474   16.871  393.553   11.201  395.273   7.8989 -1.720215 13.70613 
1 1 1    2   10   15 o  265.681   6.5065  190.833   9.3280  192.725   13.585  189.144   12.831  266.920   9.4186  264.443   8.9792 2.477081 13.01295 
1 1 1    2   10   16 o  996.955   17.130  2706.29   92.232  2759.01  133.153  2657.66  127.878  1006.19   24.490  987.718   23.959 18.47278 34.26067 
1 1 1    2   10   17 o  1211.92   20.728  4014.48  135.623  4112.61  196.772  3925.68  187.185  1225.81   29.707  1198.03   28.915 27.77820 41.45527 
1 1 1    2   10   18 o  394.074   10.899  420.270   23.209   0.0000   0.0000  420.270   23.209  ?   ?   394.074   10.899      ?      ? 
1 1 1    2   10   19 o  470.247   6.3360  598.000   16.099  590.449   22.591  605.791   22.948  467.232   8.9476  473.262   8.9732 -6.029663 12.67195 
1 1 1    2   10   21 o  907.984   11.080  2233.94   54.363  2234.59   76.957  2233.30   76.804  908.113   15.683  907.855   15.656 0.2576904 22.15975 
1 1 1    2   10   22 o  355.859   5.3201  342.326   10.229  336.572   14.401  348.187   14.533  352.840   7.5531  358.878   7.4942 -6.038239 10.64012 
1 1 1    2   10   23 o  545.258   10.011  804.096   29.498   0.0000   0.0000  804.096   29.498  ?   ?   545.258   10.011      ?      ? 
1 1 1    2   10   24 o  827.286   10.179  1852.06   45.485  1877.99   65.397  1827.77   63.304  832.876   14.531  821.696   14.257 11.18079 20.35710 
1 1 1    2   10   26 o  645.842   8.1986  1125.04   28.555  1081.75   38.915  1175.53   42.030  632.433   11.387  659.252   11.798 -26.81909 16.39723 
1 1 1    2   10   27 o  709.922   12.685  1365.07   48.660  1354.73   68.372  1375.68   69.269  707.204   17.891  712.641   17.988 -5.436401 25.37053 
1 1 1    2   10   28 f  1647.91   28.058  7433.39  249.764  7324.32  347.782  7549.55  358.919  1635.61   39.349  1660.20   40.008 -24.58887 56.11620 
1 1 1    2   10   29 o  794.682   14.019  1711.34   60.179  1682.66   83.794  1741.89   86.480  787.828   19.683  801.536   19.967 -13.70752 28.03737 
1 1 1    2   10   30 o  896.980   13.524  2177.09   61.444  2191.89  107.781  2169.96   74.787  898.730   22.193  895.230   15.460 3.499634 27.04719 
1 1 1    2   10   31 o  547.320   14.673  811.036   43.395   0.0000   0.0000  811.036   43.395  ?   ?   547.320   14.673      ?      ? 
1 1 1    2   10   32 o  638.157   10.111  1099.48   32.646  1093.44   39.667  1112.16   57.469  635.696   11.548  640.618   16.601 -4.921387 20.22264 
1 1 1    2   10   33 f  766.566   11.756  1599.30   45.999  1573.65   79.012  1612.45   56.575  761.469   19.202  771.663   13.568 -10.19391 23.51211 
1 1 1    2   10   34 o  265.224   7.0589  189.602   9.1702  191.892   17.111  188.679   10.862  266.278   11.892  264.170   7.6090 2.108002 14.11773 
1 1 1    2   10   35 o  448.510   6.4282  543.795   15.575  529.096   21.740  559.297   22.325  442.285   9.0962  454.734   9.0856 -12.44839 12.85649 
1 1 1    2   10   36 o  811.678   10.102  1784.79   44.306  1768.53   62.185  1801.55   63.143  807.931   14.244  815.424   14.330 -7.492981 20.20494 
1 1 1    2   10   37 o  299.927   5.7406  243.234   9.3028  247.716   13.265  238.898   13.050  302.645   8.1115  297.209   8.1254 5.435822 11.48125 
1 1 1    2   10   38 o  968.054   11.845  2544.84   61.962  2543.47   87.678  2546.20   87.578  967.790   16.766  968.318   16.737 -0.5274658 23.69036 
1 1 1    2   10   39 o  637.941   8.2457  1102.39   28.425  1099.06   40.155  1105.74   40.242  636.974   11.666  638.908   11.656 -1.934021 16.49137 
1 1 1    2   10   40 o  386.083   6.0626  403.458   12.648  398.829   17.856  408.120   17.918  383.857   8.6082  388.308   8.5392 -4.451172 12.12520 
1 1 1    2   10   41 o  118.591   8.7019   38.065   5.5683   39.784   8.1479   36.558   7.6273  121.092   12.452  116.090   12.159 5.002060 17.40372 
1 1 1    2   10   42 o  581.185   7.6722  915.828   24.093  918.313   34.307  913.409   33.843  581.952   10.909  580.419   10.791 1.533447 15.34446 
1 1 1    2   10   43 o  325.473   5.7096  286.910   10.041  284.609   14.218  289.199   14.183  324.167   8.1167  326.779   8.0321 -2.611481 11.41911 
1 1 1    2   10   44 o  203.756   5.9450  112.450   6.5397  119.250   9.3606  105.965   9.1404  209.781   8.2575  197.730   8.5547 12.05179 11.88991 
1 1 1    2   10   45 o  242.366   5.6434  158.993   7.3832  163.641   10.742  154.830   10.165  245.709   8.0904  239.023   7.8700 6.686401 11.28677 
1 1 1    2   10   46 o  443.903   6.4939  534.950   15.567  539.264   22.452  530.955   21.603  445.591   9.3246  442.214   9.0406 3.377045 12.98771 
1 1 1    2   10   47 o  376.729   7.0769  388.853   13.849  375.000   22.779  396.975   17.442  371.018   11.362  382.439   8.4402 -11.42099 14.15372 
1 1 1    2   10   48 o  426.579   7.5012  495.214   16.596  493.919   20.735  497.522   27.684  426.294   9.0013  426.865   12.002 -0.5704651 15.00232 
1 1 1    2   10   49 o  410.740   7.3532  461.933   15.785  467.253   20.004  453.153   25.698  414.397   8.9334  407.083   11.682 7.314240 14.70640 
1 1 1    2   10   50 o  112.794   10.493   35.379   6.3441   31.734   9.2256   38.649   8.7381  107.057   15.948  118.531   13.643 -11.47411 20.98675 
1 1 1    2   10   51 o  160.011   8.7623   71.631   7.3842   54.032   10.525   88.694   10.363  139.947   13.917  180.075   10.650 -40.12762 17.52452 
1 1 1    2   10   52 o  184.170   6.9145   92.748   6.8054   92.515   8.9803   93.063   10.430  184.066   9.0288  184.274   10.475 -0.2080383 13.82891 
1 1 1    2   10   53 o  232.459   5.6396  147.403   7.0718  136.582   9.9439  158.476   10.059  223.757   8.2242  241.162   7.7190 -17.40532 11.27919 
1 1 1    2   10   54 o  237.120   5.6319  152.993   7.1945  159.462   10.677  147.613   9.7372  241.631   8.1770  232.609   7.7468 9.022812 11.26389 
1 1 1    2   10   55 o  212.506   5.8580  122.956   6.7050  131.016   9.9850  116.337   9.0486  218.764   8.4467  206.248   8.1190 12.51598 11.71598 
1 1 1    2   10   56 f  208.190   5.9851  118.383   6.7136  124.866   9.9645  112.993   9.0853  213.323   8.6443  203.056   8.2801 10.26660 11.97012 
1 1 1    2   10   57 o  114.210   8.6710   36.525   5.3314   35.096   7.7823   37.789   7.3187  111.911   12.869  116.510   11.625 -4.599136 17.34201 
1 1 1    2   10   58 o  101.874   10.207   29.459   5.3676   38.485   8.0363   22.190   7.2121  116.998   12.711   86.749   15.974 30.24850 20.41435 
1 1 1    2   10   59 o   39.956   12.241  -0.0178   4.9189  -1.9295   7.1813   1.6718   6.7513   38.050   17.020   41.862   17.597 -3.811901 24.48135 
1 1 1    2   10   60 o   81.201   16.444   21.915   8.1862   11.725   12.346   29.910   10.936   65.075   24.991   97.328   21.378 -32.25346 32.88754 
1 1 1    2   10   61 o  182.172   10.329   95.717   10.130   97.860   15.051   93.941   13.696  183.567   15.173  180.777   14.020 2.790558 20.65897 
1 1 1    2   10   62 o   41.757   13.838  -9.3475   8.1273 -18.0000   11.947  -1.8941   11.088   37.081   18.111   46.432   20.928 -9.350914 27.67655 
1 1 1    2   10   63 o   49.212   13.200   2.6660   5.5609   13.834   8.4893  -5.7277   7.3596   64.716   21.120   33.708   15.839 31.00777 26.39905 
1 1 1    2   10   64 o  162.373   7.6834   73.979   6.6831   80.095   10.284   69.509   8.7927  167.788   11.343  156.958   10.367 10.82913 15.36673 
1 1 1    2   10   65 o   69.619   14.557   15.977   5.9720   21.610   8.9918   11.531   7.9882   79.846   20.677   59.392   20.497 20.45475 29.11443 
1 1 1    2   10   66 o   53.044   14.357   8.6340   5.9352   4.9363   8.8645   11.638   7.9905   47.777   20.128   58.311   20.479 -10.53439 28.71392 
1 1 1    2   10   67 o  194.369   7.1235  109.569   7.4272  106.102   11.066  112.412   10.019  190.692   10.739  198.046   9.3625 -7.354309 14.24705 
1 1 1    2   11    0 o  123.206   5.9580   39.227   3.6604   45.743   6.8295   36.601   4.3357  130.051   9.7182  116.361   6.8954 13.68963 11.91597 
1 1 1    2   11    1 o  676.633   9.8088  1238.27   35.864   0.0000   0.0000  1238.27   35.864  ?   ?   676.633   9.8088      ?      ? 
1 1 1    2   11    2 o  371.877   7.5519  373.874   15.176   0.0000   0.0000  373.874   15.176  ?   ?   371.877   7.5519      ?      ? 
1 1 1    2   11    3 o  500.512   9.5900  677.520   25.937   0.0000   0.0000  677.520   25.937  ?   ?   500.512   9.5900      ?      ? 
1 1 1    2   11    4 o  439.734   7.3442  523.839   16.455  520.721   28.448  525.407   20.172  438.661   12.001  440.806   8.4685 -2.144562 14.68839 
1 1 1    2   11    5 o  494.126   6.5921  660.320   17.601  658.345   24.895  662.295   24.890  493.386   9.3375  494.865   9.3077 -1.479370 13.18420 
1 1 1    2   11    7 o  722.165   9.0237  1411.62   35.211  1419.58   50.136  1403.87   49.463  724.167   12.812  720.162   12.711 4.005493 18.04746 
1 1 1    2   11    8 o  678.105   12.048  1244.50   44.146   0.0000   0.0000  1244.50   44.146  ?   ?   678.105   12.048      ?      ? 
1 1 1    2   11   10 o  292.018   6.1952  232.659   9.1163  224.910   15.987  236.392   11.097  288.331   10.261  295.704   6.9450 -7.373230 12.39033 
1 1 1    2   11   11 f  374.833   7.7814  379.966   15.756  368.018   21.992  392.568   22.585  368.781   11.036  380.886   10.973 -12.10498 15.56278 
1 1 1    2   11   12 o  228.641   6.6632  141.598   8.2212  135.856   11.768  147.072   11.491  224.098   9.7176  233.183   9.1192 -9.084702 13.32634 
1 1 1    2   11   13 o  421.956   8.3218  481.939   18.972  484.234   27.092  479.730   26.575  422.935   11.855  420.976   11.682 1.959869 16.64351 
1 1 1    2   11   14 o  540.909   9.9807  792.463   29.165  776.351   40.706  809.459   41.809  535.267   14.073  546.552   14.156 -11.28491 19.96136 
1 1 1    2   11   15 o  570.578   8.9995  880.943   26.241  879.384   32.228  884.009   45.198  570.049   10.463  571.107   14.646 -1.058289 17.99898 
1 1 1    2   11   16 o  455.266   6.2321  559.967   15.318  575.013   22.233  546.371   21.134  461.075   8.9237  449.457   8.7019 11.61768 12.46412 
1 1 1    2   11   17 o  668.252   8.4107  1208.74   30.370  1213.57   43.194  1204.02   42.709  669.567   11.938  666.938   11.851 2.628784 16.82149 
1 1 1    2   11   18 f  813.266   10.044  1791.21   44.133  1767.61   61.710  1815.91   63.140  807.795   14.137  818.738   14.271 -10.94263 20.08834 
1 1 1    2   11   20 f  1037.85   12.568  2920.11   70.483  2932.85  100.204  2907.64   99.160  1040.07   17.829  1035.62   17.719 4.457520 25.13671 
1 1 1    2   11   21 o  397.170   5.7575  426.412   12.355  418.875   17.346  434.174   17.603  393.608   8.1554  400.732   8.1292 -7.124390 11.51498 
1 1 1    2   11   22 o  737.000   9.1780  1469.82   36.548  1456.13   51.292  1483.94   52.092  733.518   12.940  740.482   13.019 -6.964355 18.35598 
1 1 1    2   11   23 o  1033.22   12.522  2892.41   69.911  2881.11   98.554  2903.85   99.187  1031.19   17.687  1035.24   17.731 -4.052612 25.04386 
1 1 1    2   11   24 o  1247.55   18.364  4251.26  117.730  4304.07  146.023  4153.15  199.010  1259.78   21.451  1235.33   29.813 24.44397 36.72784 
1 1 1    2   11   25 o  237.538   7.5044  152.549   9.6314  150.360   13.499  154.820   13.746  235.803   10.594  239.273   10.632 -3.470474 15.00883 
1 1 1    2   11   26 o  1048.75   18.066  2987.48  102.379  2972.97  144.112  3002.25  145.469  1046.19   25.492  1051.30   25.607 -5.113770 36.13226 
1 1 1    2   11   27 o  1724.05   29.374  8146.14  273.506  8000.00  379.515  8304.05  394.514  1708.23   41.114  1739.86   41.962 -31.63416 58.74718 
1 1 1    2   11   28 o  424.844   7.5791  476.816   15.849  515.541   29.787  461.522   18.719  436.513   12.628  413.174   8.3844 23.33972 15.15818 
1 1 1    2   11   29 o  1264.17   15.202  4335.44  103.843  4304.03  145.935  4367.66  147.796  1259.54   21.442  1268.79   21.557 -9.248657 30.40463 
1 1 1    2   11   30 o  512.499   9.7246  710.309   26.931   0.0000   0.0000  710.309   26.931  ?   ?   512.499   9.7246      ?      ? 
1 1 1    2   11   31 o  342.088   7.1905  318.939   12.384  323.252   15.054  309.910   21.783  345.767   8.0572  338.410   11.912 7.356964 14.38091 
1 1 1    2   11   32 o  504.978   8.5770  680.580   21.482  714.414   39.571  666.442   25.580  513.580   14.259  496.377   9.5369 17.20370 17.15406 
1 1 1    2   11   33 o  779.382   11.905  1667.80   48.051  1570.27   79.073  1724.90   60.504  760.685   19.237  798.078   14.030 -37.39337 23.80947 
1 1 1    2   11   34 o  588.700   7.7563  937.689   24.671  926.484   34.591  949.290   35.198  585.124   10.940  592.277   10.998 -7.152893 15.51265 
1 1 1    2   11   35 o  608.765   7.9701  1002.59   26.211  984.182   36.559  1022.05   37.600  603.024   11.219  614.506   11.323 -11.48224 15.94016 
1 1 1    2   11   36 o  478.866   6.7701  620.297   17.516  627.961   25.008  612.916   24.543  481.767   9.6063  475.966   9.5424 5.801880 13.54020 
1 1 1    2   11   37 o  246.983   5.9210  164.984   7.8992  158.714   11.085  171.452   11.259  242.213   8.4696  251.753   8.2764 -9.539886 11.84199 
1 1 1    2   11   38 o  446.417   6.5254  539.032   15.733  547.579   22.673  531.094   21.851  449.821   9.3277  443.014   9.1279 6.807465 13.05079 
1 1 1    2   11   39 f  1027.69   12.565  2873.32   69.744  2817.65   96.795  2933.43  100.580  1017.42   17.606  1037.96   17.933 -20.54889 25.13081 
1 1 1    2   11   40 o  525.417   7.1541  747.843   20.311  739.875   28.541  756.018   28.910  522.584   10.107  528.251   10.128 -5.667114 14.30816 
1 1 1    2   11   41 o  638.241   8.2652  1105.02   28.503  1108.06   40.583  1102.05   40.042  639.096   11.751  637.386   11.626 1.709778 16.53036 
1 1 1    2   11   42 o  251.033   5.7291  170.511   7.7543  172.876   11.386  168.465   10.590  252.638   8.3402  249.429   7.8569 3.209106 11.45819 
1 1 1    2   11   43 o  448.729   6.4853  545.862   15.721  549.797   22.528  542.127   21.950  450.290   9.2586  447.168   9.0839 3.121704 12.97070 
1 1 1    2   11   44 o  104.797   9.8721   30.690   5.4495   24.382   8.0320   36.070   7.4182   94.440   15.739  115.155   11.921 -20.71458 19.74430 
1 1 1    2   11   45 o  431.572   6.3577  505.352   14.820  512.381   21.339  498.803   20.598  434.448   9.0895  428.697   8.8916 5.751251 12.71533 
1 1 1    2   11   46 o  538.095   7.3113  787.559   21.258  776.618   29.875  798.780   30.255  534.307   10.347  541.882   10.332 -7.575134 14.62270 
1 1 1    2   11   47 o  375.182   7.2047  383.638   13.861  381.306   23.636  384.860   17.112  373.880   11.699  376.484   8.4116 -2.604675 14.40930 
1 1 1    2   11   48 o  415.548   8.5423  472.376   19.178  460.811   27.082  484.009   27.162  410.390   12.212  420.706   11.948 -10.31592 17.08467 
1 1 1    2   11   49 o  321.684   7.6653  282.915   13.315  275.450   19.019  290.090   18.646  317.437   11.088  325.930   10.587 -8.493469 15.33064 
1 1 1    2   11   50 o  182.070   8.2068   92.035   7.9627   78.559   11.626  103.941   10.928  169.093   12.724  195.047   10.369 -25.95441 16.41363 
1 1 1    2   11   51 o  339.027   5.8123  312.782   10.637  321.375   15.466  305.067   14.654  343.401   8.3345  334.653   8.1035 8.747925 11.62457 
1 1 1    2   11   52 o  262.348   5.6389  187.463   7.9823  190.149   11.641  185.078   10.967  264.067   8.1581  260.629   7.7868 3.438263 11.27779 
1 1 1    2   11   53 o  102.508   9.5333   28.668   5.1969   36.878   7.8880   22.371   6.9080  115.417   12.648   89.600   14.268 25.81696 19.06660 
1 1 1    2   11   54 o  204.563   6.0528  114.438   6.6757  116.352   9.8068  112.785   9.1132  206.076   8.8066  203.049   8.3058 3.027374 12.10551 
1 1 1    2   11   55 o  265.932   5.7034  193.379   8.1828  195.848   11.945  191.196   11.232  267.446   8.2654  264.418   7.8611 3.028015 11.40676 
1 1 1    2   11   56 o  122.496   8.4006   41.985   5.5335   39.396   8.0606   44.293   7.6099  118.687   12.568  126.304   11.150 -7.617744 16.80122 
1 1 1    2   11   57 f  263.234   5.7811  190.671   8.2019  180.697   11.813  199.954   11.396  256.389   8.5267  270.078   7.8089 -13.68912 11.56219 
1 1 1    2   11   58 o  194.408   6.3999  105.326   6.6546   91.196   9.6086  118.350   9.2251  181.398   9.8025  207.417   8.2307 -26.01921 12.79976 
1 1 1    2   11   59 o  117.303   9.0613   39.161   5.7140   36.264   8.2810   41.794   7.8945  112.805   13.585  121.801   11.995 -8.996086 18.12267 
1 1 1    2   11   60 o   67.932   17.573   13.464   8.5097   17.998   12.479   9.5225   11.635   74.610   25.626   61.255   24.054 13.35492 35.14672 
1 1 1    2   11   61 o   65.757   17.393   13.001   8.3947   15.809   11.905   10.225   11.839   69.939   24.952   61.575   24.238 8.364243 34.78573 
1 1 1    2   11   62 o  220.702   8.3188  133.939   8.8451  150.473   17.254  128.045   10.302  227.105   14.059  214.299   8.8962 12.80530 16.63752 
1 1 1    2   11   63 o  186.863   7.1899   98.454   7.2340   99.455   10.709   97.614   9.8110  187.413   10.574  186.314   9.7449 1.098587 14.37976 
1 1 1    2   11   64 f   72.466   13.790   16.028   6.1199   27.764   9.1644   6.5825   8.2217   93.580   18.776   51.351   20.203 42.22888 27.58078 
1 1 1    2   11   65 o   76.081   13.809   19.398   6.0559   31.338   9.3693   10.830   7.9366   96.176   18.702   55.987   20.322 40.18866 27.61783 
1 1 1    2   11   66 o   53.033   14.301   7.6382   5.8040   13.555   8.9996   3.4247   7.5943   62.059   21.737   44.006   18.589 18.05354 28.60142 
1 1 1    2   12    0 o  305.652   5.9661  254.026   9.3430  248.198   15.901  257.099   11.546  302.917   9.7142  308.387   6.9289 -5.469849 11.93213 
1 1 1    2   12    1 o  430.126   8.7897  500.326   20.430   0.0000   0.0000  500.326   20.430  ?   ?   430.126   8.7897      ?      ? 
1 1 1    2   12    2 o  594.899   7.6995  956.876   24.751   0.0000   0.0000  956.876   24.751  ?   ?   594.899   7.6995      ?      ? 
1 1 1    2   12    3 o  282.056   6.8259  215.068   10.404   0.0000   0.0000  215.068   10.404  ?   ?   282.056   6.8259      ?      ? 
1 1 1    2   12    4 o  198.892   6.3532  106.932   6.8281   0.0000   0.0000  106.932   6.8281  ?   ?   198.892   6.3532      ?      ? 
1 1 1    2   12    5 o  307.106   7.5138  255.199   12.467  254.054   17.776  256.306   17.489  306.424   10.736  307.788   10.516 -1.364197 15.02764 
1 1 1    2   12    6 o  565.873   10.492  867.581   32.082  865.766   45.535  869.369   45.207  565.279   14.907  566.469   14.769 -1.189880 20.98427 
1 1 1    2   12    7 o  460.563   9.0518  571.302   22.439  607.207   33.582  542.342   30.160  473.542   13.124  447.583   12.470 25.95914 18.10354 
1 1 1    2   12    8 o  466.986   9.1033  586.694   22.866  629.054   34.397  553.153   30.608  481.966   13.208  452.006   12.532 29.95932 18.20662 
1 1 1    2   12    9 o  345.461   7.7126  322.888   14.391  325.450   20.711  320.496   20.010  346.779   11.052  344.144   10.760 2.635071 15.42514 
1 1 1    2   12   10 o  601.084   10.959  979.509   35.596  978.378   50.444  980.631   50.238  600.733   15.540  601.435   15.458 -0.7017822 21.91858 
1 1 1    2   12   11 o  489.092   8.0617  646.728   20.095  645.093   24.607  650.000   34.817  488.320   9.3253  489.864   13.153 -1.544098 16.12339 
1 1 1    2   12   12 o  669.845   8.4661  1214.74   30.641  1221.51   43.704  1208.20   42.970  671.671   12.041  668.018   11.904 3.652954 16.93217 
1 1 1    2   12   13 o  233.869   4.8894  147.823   6.1722  148.946   8.9560  146.807   8.5182  234.711   7.0615  233.027   6.7648 1.684464 9.778860 
1 1 1    2   12   14 o  389.978   5.6889  410.839   11.975  419.828   17.418  402.780   16.491  394.014   8.1807  385.943   7.9077 8.071503 11.37786 
1 1 1    2   12   15 o  452.827   6.2479  554.517   15.286  558.496   21.826  550.686   21.415  454.418   8.8887  451.236   8.7827 3.182983 12.49583 
1 1 1    2   12   16 o  1469.63   24.969  5882.11  198.289   0.0000   0.0000  5882.11  198.289  ?   ?   1469.63   24.969      ?      ? 
1 1 1    2   12   17 o  185.036   7.0451   92.561   7.0442   0.0000   0.0000   92.561   7.0442  ?   ?   185.036   7.0451      ?      ? 
1 1 1    2   12   19 o  370.065   5.5448  370.090   11.085  376.385   15.913  364.157   15.449  373.119   7.8926  367.011   7.7901 6.108276 11.08958 
1 1 1    2   12   20 o  186.261   5.1380   93.846   5.1680   90.977   7.3610   96.635   7.2575  183.450   7.4256  189.072   7.1034 -5.622223 10.27609 
1 1 1    2   12   21 o  563.365   9.1033  855.231   25.909  848.785   31.422  868.919   45.789  560.214   10.380  566.516   14.958 -6.302124 18.20655 
1 1 1    2   12   22 o  428.037   8.7698  494.101   20.244  472.072   27.583  519.820   29.804  417.737   12.219  438.337   12.583 -20.60062 17.53969 
1 1 1    2   12   23 o  487.985   9.5214  641.983   25.048  612.162   34.028  677.252   37.006  475.672   13.238  500.298   13.688 -24.62634 19.04286 
1 1 1    2   12   24 o  350.651   8.0014  332.531   15.160  331.531   21.294  333.559   21.588  350.119   11.255  351.184   11.376 -1.064880 16.00282 
1 1 1    2   12   25 o  642.541   11.699  1117.00   40.590  1091.22   56.122  1145.27   58.775  634.791   16.361  650.290   16.726 -15.49896 23.39772 
1 1 1    2   12   26 o  246.497   6.4713  159.292   7.7488  175.676   14.956  153.281   9.0594  254.861   10.860  238.134   7.0403 16.72693 12.94254 
1 1 1    2   12   27 o  401.639   5.9061  436.083   12.817  428.099   18.053  444.198   18.201  397.931   8.3954  405.347   8.3094 -7.415649 11.81229 
1 1 1    2   12   28 o  1004.78   12.214  2734.67   66.308  2703.73   92.820  2766.91   94.758  998.994   17.194  1010.57   17.352 -11.57916 24.42858 
1 1 1    2   12   29 o  160.355   8.2921   69.523   7.1852   0.0000   0.0000   69.523   7.1852  ?   ?   160.355   8.2921      ?      ? 
1 1 1    2   12   30 o  312.572   11.997  264.414   20.264   0.0000   0.0000  264.414   20.264  ?   ?   312.572   11.997      ?      ? 
1 1 1    2   12   31 o  117.922   8.4352   37.684   5.3283   37.256   8.0614   38.016   7.1003  117.313   12.717  118.530   11.086 -1.217712 16.87037 
1 1 1    2   12   32 o  348.183   7.3837  336.388   12.976  303.604   22.254  353.275   15.971  334.912   12.297  361.454   8.1771 -26.54184 14.76744 
1 1 1    2   12   33 o  295.057   7.9516  235.417   12.678   0.0000   0.0000  235.417   12.678  ?   ?   295.057   7.9516      ?      ? 
1 1 1    2   12   34 o  706.861   9.0102  1348.96   34.343  1294.33   46.765  1412.92   50.599  691.398   12.517  722.323   12.964 -30.92499 18.02033 
1 1 1    2   12   35 o  225.314   6.1499  137.466   7.4794  131.470   10.651  143.301   10.506  220.453   8.9407  230.174   8.4468 -9.721054 12.29973 
1 1 1    2   12   36 f  319.794   5.8472  276.500   10.099  264.391   14.117  289.194   14.454  312.622   8.3566  326.966   8.1807 -14.34402 11.69434 
1 1 1    2   12   37 o  276.186   5.8663  206.480   8.7496  201.785   12.501  210.987   12.250  273.100   8.4713  279.273   8.1174 -6.173035 11.73263 
1 1 1    2   12   38 o  603.312   7.9331  986.246   25.858  995.299   36.984  977.588   36.168  606.008   11.294  600.616   11.144 5.391602 15.86629 
1 1 1    2   12   39 o  429.061   6.3866  498.238   14.804  485.766   20.678  511.352   21.203  423.555   9.0347  434.567   9.0294 -11.01184 12.77323 
1 1 1    2   12   40 o  217.563   6.0770  128.582   7.1210  119.604   10.230  137.023   9.9188  210.147   9.0085  224.979   8.1589 -14.83124 12.15402 
1 1 1    2   12   41 o  302.405   5.7177  247.307   9.3320  254.340   13.601  241.051   12.828  306.451   8.2133  298.359   7.9567 8.091553 11.43534 
1 1 1    2   12   42 o  292.990   7.8919  232.534   12.495   0.0000   0.0000  232.534   12.495  ?   ?   292.990   7.8919      ?      ? 
1 1 1    2   12   43 o  434.717   6.4079  512.263   15.043  520.246   21.740  504.932   20.835  437.941   9.1868  431.493   8.9358 6.447693 12.81585 
1 1 1    2   12   44 o  307.943   5.7482  257.257   9.5611  252.969   13.647  261.391   13.399  305.402   8.2696  310.484   7.9864 -5.082275 11.49646 
1 1 1    2   12   45 o  434.717   6.4102  513.310   15.054  512.013   21.525  514.551   21.061  434.152   9.1753  435.282   8.9541 -1.130402 12.82039 
1 1 1    2   12   46 o  313.127   6.9050  265.687   11.064  269.595   19.048  263.697   13.592  314.537   11.207  311.717   8.0695 2.820526 13.80997 
1 1 1    2   12   47 o  330.137   7.7705  297.910   13.837  285.360   19.888  309.685   19.264  323.267   11.385  337.007   10.578 -13.73941 15.54094 
1 1 1    2   12   48 o  190.592   8.0169   97.501   8.1399  110.113   12.884   89.122   10.501  200.547   11.889  180.637   10.758 19.91003 16.03378 
1 1 1    2   12   49 o  193.011   7.0727   99.661   7.2924   88.695   9.4790  115.563   11.414  180.314   9.7285  205.708   10.269 -25.39406 14.14534 
1 1 1    2   12   50 o  375.668   7.0695  387.201   13.950  391.777   17.818  379.955   22.422  379.084   8.6982  372.251   11.147 6.833221 14.13893 
1 1 1    2   12   51 o  170.939   6.6558   78.578   6.0966   92.063   9.3510   68.608   8.0404  183.479   9.4315  158.399   9.3937 25.08003 13.31150 
1 1 1    2   12   52 f  314.773   5.8013  268.776   9.8250  287.339   14.749  253.966   13.174  324.405   8.4135  305.141   7.9895 19.26352 11.60251 
1 1 1    2   12   53 o   99.957   10.104   27.674   5.4290   31.044   8.1944   25.037   7.2480  105.299   14.401   94.615   14.176 10.68346 20.20826 
1 1 1    2   12   54 o  274.910   5.7978  206.727   8.6036  208.470   12.481  205.148   11.876  275.941   8.3707  273.879   8.0244 2.061188 11.59565 
1 1 1    2   12   55 o   87.002   11.675   22.054   5.2670   24.750   7.9114   19.908   7.0588   91.825   16.553   82.178   16.470 9.647247 23.35057 
1 1 1    2   12   56 o  297.565   5.8078  243.011   9.3277  241.556   13.497  244.341   12.905  296.596   8.4216  298.535   7.9999 -1.939087 11.61561 
1 1 1    2   12   57 f   82.262   12.531   20.583   5.3683   18.933   8.1548   21.845   7.1316   78.538   19.343   85.986   15.936 -7.447983 25.06159 
1 1 1    2   12   58 o   41.097   12.346  -2.5017   5.2449   6.4964   7.8838  -9.6462   7.0250   52.078   19.978   30.116   14.513 21.96229 24.69287 
1 1 1    2   12   59 o  157.874   11.706   73.308   9.8308   87.387   13.938   59.369   13.868  174.264   14.802  141.484   18.139 32.77988 23.41192 
1 1 1    2   12   60 o  216.475   9.8229  134.958   11.486  131.937   16.314  137.928   16.175  213.853   14.117  219.096   13.662 -5.242859 19.64588 
1 1 1    2   12   61 o  182.925   10.817   97.631   10.657  109.212   15.648   87.613   14.553  193.286   14.982  172.564   15.607 20.72148 21.63401 
1 1 1    2   12   62 o  177.535   7.4003   89.471   7.0423   88.298   10.599   90.398   9.4229  175.930   11.149  179.140   9.7343 -3.209885 14.80068 
1 1 1    2   12   63 o   81.886   21.314   22.207   9.5225   22.207   9.5225   0.0000   0.0000   81.886   21.314  ?   ?       ?      ? 
1 1 1    2   12   64 o   52.609   14.599   8.0727   6.1056   6.1795   9.2196   9.5515   8.1485   50.354   20.817   54.865   20.474 -4.510231 29.19775 
1 1 1    2   12   65 o   52.503   14.547   8.1812   6.0311   6.7418   9.1300   9.2955   8.0335   50.861   20.836   54.145   20.304 -3.284737 29.09319 
1 1 1    2   12   66 o   44.561   13.212   3.4005   5.8080  -3.6956   8.8842   8.6967   7.6753   37.601   17.583   51.522   19.724 -13.92109 26.42356 
1 1 1    2   13    0 o  408.449   11.601  451.577   25.605   0.0000   0.0000  451.577   25.605  ?   ?   408.449   11.601      ?      ? 
1 1 1    2   13    1 o  542.757   10.190  797.051   29.885   0.0000   0.0000  797.051   29.885  ?   ?   542.757   10.190      ?      ? 
1 1 1    2   13    3 o  348.754   7.6748  328.892   14.464   0.0000   0.0000  328.892   14.464  ?   ?   348.754   7.6748      ?      ? 
1 1 1    2   13    4 o  409.861   11.563  454.730   25.609  454.730   25.609   0.0000   0.0000  409.861   11.563  ?   ?       ?      ? 
1 1 1    2   13    5 o  731.847   18.240  1454.05   72.131  1454.05   72.131   0.0000   0.0000  731.847   18.240  ?   ?       ?      ? 
1 1 1    2   13    7 o  636.997   8.1896  1098.38   28.187  1105.67   40.189  1091.32   39.543  639.072   11.638  634.922   11.525 4.150635 16.37911 
1 1 1    2   13    9 o  323.095   7.4677  282.268   13.038  282.268   13.038   0.0000   0.0000  323.095   7.4677  ?   ?       ?      ? 
1 1 1    2   13   10 o  933.241   11.403  2361.47   57.505  2357.33   81.240  2365.63   81.409  932.421   16.124  934.061   16.129 -1.640198 22.80635 
1 1 1    2   13   11 f  617.741   7.9408  1032.74   26.506  1035.41   37.636  1030.11   37.337  618.531   11.260  616.951   11.199 1.579041 15.88150 
1 1 1    2   13   12 o  635.477   8.1231  1092.82   27.892  1081.26   39.145  1104.75   39.752  632.065   11.461  638.889   11.514 -6.823853 16.24614 
1 1 1    2   13   13 o  301.055   5.1812  245.100   8.4263  238.549   11.925  251.632   11.909  297.034   7.4294  305.076   7.2238 -8.042267 10.36238 
1 1 1    2   13   15 o  236.314   5.0219  149.917   6.3894  164.110   9.5399  138.372   8.6043  246.385   7.1654  226.243   7.0381 20.14261 10.04378 
1 1 1    2   13   16 o  390.171   7.1437  409.132   14.149  404.209   17.219  419.369   24.829  386.650   8.2412  393.693   11.671 -7.042419 14.28744 
1 1 1    2   13   17 o  667.570   17.021  1207.66   61.399   0.0000   0.0000  1207.66   61.399  ?   ?   667.570   17.021      ?      ? 
1 1 1    2   13   18 o  303.241   7.5482  248.639   12.366  254.730   17.671  242.793   17.312  306.880   10.656  299.602   10.694 7.277863 15.09643 
1 1 1    2   13   19 o  1161.83   19.912  3673.42  125.009  3673.42  176.810  3673.42  176.768  1161.83   28.163  1161.83   28.156 -0.1953125E-02 39.82357 
1 1 1    2   13   20 o  547.241   10.274  810.357   30.375  801.351   42.434  819.820   43.498  544.130   14.432  550.352   14.627 -6.221375 20.54787 
1 1 1    2   13   21 o  463.582   9.1732  581.419   22.979  585.811   32.497  577.027   32.497  465.335   12.924  461.829   13.022 3.506439 18.34650 
1 1 1    2   13   22 o  343.325   7.9036  318.631   14.658  313.288   20.408  324.324   21.066  340.356   11.096  346.294   11.258 -5.937927 15.80728 
1 1 1    2   13   23 o  383.616   7.1589  392.459   13.660  411.937   25.039  384.207   16.298  390.237   11.874  376.996   8.0005 13.24149 14.31788 
1 1 1    2   13   24 o  911.257   11.160  2248.29   54.950  2232.63   77.263  2264.32   78.166  908.051   15.746  914.463   15.818 -6.412048 22.31956 
1 1 1    2   13   25 o  657.817   8.3872  1170.57   29.813  1163.46   42.059  1177.75   42.266  655.808   11.868  659.826   11.854 -4.017761 16.77431 
1 1 1    2   13   26 o  415.512   6.0732  466.421   13.624  474.901   19.754  458.728   18.815  419.106   8.7226  411.917   8.4527 7.189392 12.14631 
1 1 1    2   13   27 o  346.781   5.6807  324.905   10.638  308.638   14.856  342.024   15.240  337.875   8.1368  355.686   7.9292 -17.81094 11.36135 
1 1 1    2   13   28 o  721.228   9.0867  1406.93   35.397  1375.46   49.168  1440.79   51.001  712.870   12.764  729.586   12.936 -16.71582 18.17336 
1 1 1    2   13   29 o  356.041   7.4134  345.413   13.374  350.167   16.353  335.811   23.242  359.851   8.4096  352.231   12.211 7.620239 14.82684 
1 1 1    2   13   30 o  633.173   8.2383  1084.92   28.186  1075.99   39.777  1093.92   39.947  630.555   11.674  635.791   11.627 -5.236328 16.47657 
1 1 1    2   13   31 o  890.407   13.498  2159.24   61.356  2128.60  105.394  2174.94   75.462  884.948   22.040  895.866   15.588 -10.91809 26.99532 
1 1 1    2   13   32 o  744.494   9.4032  1499.78   37.807  1461.87   52.382  1541.00   54.622  734.698   13.194  754.290   13.401 -19.59235 18.80640 
1 1 1    2   13   33 o  507.802   7.0708  696.032   19.376  666.546   26.577  729.487   28.309  496.355   9.9089  519.248   10.089 -22.89380 14.14150 
1 1 1    2   13   34 o  119.093   9.3319   37.785   5.9395   46.700   9.0211   30.963   7.8914  131.297   12.715  106.889   13.663 24.40822 18.66377 
1 1 1    2   13   35 o  219.878   6.3291  130.964   7.5057  121.551   10.604  140.414   10.626  211.940   9.2590  227.815   8.6314 -15.87538 12.65822 
1 1 1    2   13   36 o  269.058   5.8556  196.029   8.5051  190.638   12.192  201.141   11.871  265.441   8.4998  272.675   8.0565 -7.233856 11.71127 
1 1 1    2   13   37 f  267.178   5.8181  193.320   8.3924  189.523   12.051  196.895   11.694  264.618   8.4279  269.738   8.0232 -5.119995 11.63620 
1 1 1    2   13   38 f  406.751   6.2560  446.714   13.731  420.299   18.863  476.493   20.028  393.994   8.8599  419.509   8.8348 -25.51505 12.51205 
1 1 1    2   13   39 o  271.952   7.9861  200.202   11.736   0.0000   0.0000  200.202   11.736  ?   ?   271.952   7.9861      ?      ? 
1 1 1    2   13   40 o  523.754   7.1853  743.253   20.318  758.843   29.462  729.112   28.059  528.959   10.307  518.549   10.014 10.41010 14.37066 
1 1 1    2   13   41 o  218.148   6.1212  129.673   7.1758  117.036   10.321  141.495   9.9833  207.762   9.1935  228.533   8.0842 -20.77158 12.24234 
1 1 1    2   13   42 o  328.257   5.8184  290.769   10.280  306.014   15.370  278.429   13.828  335.978   8.4661  320.537   7.9836 15.44083 11.63670 
1 1 1    2   13   43 f  257.321   5.7640  179.426   7.9729  180.917   11.921  178.218   10.724  258.241   8.5429  256.401   7.7403 1.840363 11.52797 
1 1 1    2   13   44 o  104.971   9.8571   30.598   5.4564   27.777   8.4740   32.596   7.1314  100.614   15.586  109.328   12.071 -8.713974 19.71427 
1 1 1    2   13   45 o  554.058   10.415  840.701   31.137  857.432   45.449  825.901   42.744  559.074   15.044  549.041   14.407 10.03271 20.83035 
1 1 1    2   13   46 o  297.712   7.6983  242.048   12.310  239.189   18.388  244.369   16.570  295.954   11.498  299.471   10.239 -3.516815 15.39667 
1 1 1    2   13   47 o  639.243   10.161  1128.63   33.587  1136.95   41.939  1113.74   56.087  644.341   12.045  634.146   16.368 10.19489 20.32211 
1 1 1    2   13   48 o  201.882   6.3613  111.508   6.8930  106.127   10.211  116.014   9.3435  197.277   9.5782  206.486   8.3740 -9.209244 12.72262 
1 1 1    2   13   49 o  223.009   7.0968  132.412   7.8832  145.090   14.536  127.130   9.3829  229.911   11.700  216.108   8.0349 13.80342 14.19360 
1 1 1    2   13   50 o  130.496   8.9092   46.746   6.2649   43.460   8.4891   50.676   9.2841  125.505   12.517  135.486   12.681 -9.981613 17.81831 
1 1 1    2   13   51 o  227.200   6.7909  142.572   8.2227  150.039   10.947  132.905   12.456  234.373   8.6438  220.027   10.476 14.34592 13.58177 
1 1 1    2   13   52 o  154.316   7.1885   65.046   5.9568   69.109   9.0400   61.929   7.9191  158.442   10.559  150.190   9.7577 8.252045 14.37700 
1 1 1    2   13   53 o   98.408   10.372   27.181   5.4564   27.491   8.3597   26.951   7.2021   98.622   15.687   98.194   13.573 0.4276657 20.74384 
1 1 1    2   13   54 f  101.186   10.357   28.608   5.6295   33.139   8.4544   25.000   7.5455  108.367   14.438   94.006   14.854 14.36108 20.71451 
1 1 1    2   13   55 o  211.294   9.1868  122.925   10.489  122.925   10.489   0.0000   0.0000  211.294   9.1868  ?   ?       ?      ? 
1 1 1    2   13   56 o   71.264   13.088   15.001   5.2922   22.023   7.8590   9.1761   7.1585   85.696   17.561   56.832   19.411 28.86386 26.17653 
1 1 1    2   13   57 o  214.039   6.2735  127.456   7.1956  111.860   10.358  142.005   10.004  200.927   9.5397  227.152   8.1501 -26.22498 12.54709 
1 1 1    2   13   58 o  127.985   11.439   45.003   7.5211   39.474   9.1061   56.869   13.341  117.309   14.365  138.660   17.805 -21.35111 22.87751 
1 1 1    2   13   59 o  246.301   9.4330  173.341   12.552  177.883   17.803  168.851   17.700  249.652   13.197  242.949   13.482 6.703751 18.86592 
1 1 1    2   13   60 f   69.846   18.104   15.136   9.2046   9.3018   12.945   21.104   13.091   61.352   24.935   78.340   26.253 -16.98751 36.20721 
1 1 1    2   13   61 o   70.270   15.011   15.940   6.2288   21.438   9.5765   11.909   8.2004   79.651   21.672   60.888   20.776 18.76373 30.02241 
1 1 1    2   13   62 o   48.954   14.386   3.9807   6.2774   6.9867   9.4376   1.5957   8.4066   53.518   21.452   44.390   19.172 9.127682 28.77114 
1 1 1    2   13   63 o  162.494   8.2983   76.044   7.2633   72.809   10.537   78.973   10.026  158.729   12.285  166.259   11.160 -7.530396 16.59666 
1 1 1    2   13   64 o   67.817   14.861   15.865   6.4450   25.230   9.6834   8.4177   8.6355   83.449   21.378   52.186   20.650 31.26350 29.72286 
1 1 1    2   13   65 o   54.739   14.945   9.8329   6.2491   9.9672   9.3331   9.7238   8.4133   55.111   21.573   54.368   20.690 0.7430992 29.89052 
1 1 1    2   14    1 o  834.659   14.636  1887.85   66.011   0.0000   0.0000  1887.85   66.011  ?   ?   834.659   14.636      ?      ? 
1 1 1    2   14    3 o  672.257   12.187  1223.52   44.272   0.0000   0.0000  1223.52   44.272  ?   ?   672.257   12.187      ?      ? 
1 1 1    2   14    4 o  931.191   16.156  2351.08   81.294   0.0000   0.0000  2351.08   81.294  ?   ?   931.191   16.156      ?      ? 
1 1 1    2   14    5 o  429.231   8.5291  498.658   19.778  494.369   27.647  503.153   28.306  427.347   11.973  431.115   12.151 -3.767365 17.05814 
1 1 1    2   14    6 o  497.579   9.4293  668.377   25.294  641.216   34.373  700.450   37.353  486.612   13.072  508.546   13.593 -21.93320 18.85861 
1 1 1    2   14    7 o  422.254   8.4609  482.533   19.303  476.351   27.033  488.964   27.571  419.497   11.926  425.010   12.005 -5.512054 16.92177 
1 1 1    2   14    8 o  637.742   11.494  1102.37   39.600  1089.64   55.312  1115.77   56.720  633.979   16.146  641.505   16.362 -7.525940 22.98715 
1 1 1    2   14    9 o  772.079   13.602  1618.01   56.744  1632.43   80.927  1604.05   79.586  775.449   19.313  768.708   19.160 6.740784 27.20457 
1 1 1    2   14   10 o  578.724   10.645  907.399   33.288  902.928   46.903  911.937   47.253  577.289   15.036  580.158   15.073 -2.868835 21.28980 
1 1 1    2   14   11 o  305.692   7.4509  252.697   12.303  256.306   17.701  249.324   17.111  307.798   10.642  303.585   10.431 4.213440 14.90177 
1 1 1    2   14   12 o  978.595   16.913  2603.41   89.432  2587.84  125.710  2619.37  127.256  975.651   23.844  981.539   23.993 -5.888123 33.82624 
1 1 1    2   14   13 o  570.643   10.562  881.852   32.568  885.135   46.182  878.604   45.936  571.698   14.949  569.587   14.925 2.111023 21.12414 
1 1 1    2   14   14 o  575.941   10.640  898.292   33.112  901.802   46.951  894.820   46.705  577.059   15.057  574.823   15.036 2.236389 21.27908 
1 1 1    2   14   15 o  470.799   9.2390  599.867   23.504  597.297   33.109  602.477   33.371  469.784   13.042  471.814   13.089 -2.029907 18.47801 
1 1 1    2   14   16 o  1156.16   19.829  3636.49  123.834  3578.83  172.225  3698.20  178.182  1146.75   27.793  1165.57   28.290 -18.81604 39.65849 
1 1 1    2   14   17 o  1206.76   20.656  3963.57  134.685  3936.94  189.115  3990.99  191.862  1202.68   29.100  1210.84   29.323 -8.159668 41.31147 
1 1 1    2   14   18 o  906.383   22.289  2228.60  109.167  2228.60  109.167   0.0000   0.0000  906.383   22.289  ?   ?       ?      ? 
1 1 1    2   14   19 o  305.552   10.815  252.477   17.857  252.477   17.857   0.0000   0.0000  305.552   10.815  ?   ?       ?      ? 
1 1 1    2   14   20 o  711.531   12.689  1369.62   48.789   0.0000   0.0000  1369.62   48.789  ?   ?   711.531   12.689      ?      ? 
1 1 1    2   14   21 o  574.385   7.5313  892.236   23.375  888.456   33.028  896.030   33.088  573.166   10.664  575.605   10.638 -2.439087 15.06253 
1 1 1    2   14   23 o  829.106   10.264  1860.73   45.986  1857.48   65.037  1863.99   65.030  828.380   14.529  829.833   14.502 -1.452820 20.52839 
1 1 1    2   14   24 o  281.780   7.5104  214.634   11.436   0.0000   0.0000  214.634   11.436  ?   ?   281.780   7.5104      ?      ? 
1 1 1    2   14   25 o  503.912   6.9167  686.704   18.833  680.297   26.628  693.118   26.641  501.558   9.8249  506.266   9.7383 -4.707977 13.83342 
1 1 1    2   14   26 o  267.130   7.7617  192.920   11.204   0.0000   0.0000  192.920   11.204  ?   ?   267.130   7.7617      ?      ? 
1 1 1    2   14   27 f  589.996   7.7841  941.829   24.816  934.840   35.040  948.862   35.152  587.798   11.032  592.194   10.985 -4.395569 15.56816 
1 1 1    2   14   28 o  214.743   8.3061  128.596   8.8733  135.219   10.795  114.797   15.581  223.604   8.9339  205.883   14.005 17.72078 16.61222 
1 1 1    2   14   29 o  906.956   11.220  2214.67   54.713  2093.79   73.091  2368.72   82.515  879.072   15.387  934.840   16.334 -55.76776 22.44045 
1 1 1    2   14   30 o  605.880   9.8210  1000.06   30.362  976.802   52.095  1012.02   37.363  600.255   16.061  611.505   11.307 -11.24902 19.64201 
1 1 1    2   14   31 o  554.546   7.5381  831.794   22.583  812.388   31.550  852.185   32.341  547.916   10.656  561.176   10.665 -13.25952 15.07621 
1 1 1    2   14   32 o  252.408   6.2503  172.481   8.5156  168.219   12.237  176.483   11.858  249.374   9.0812  255.442   8.5904 -6.068420 12.50055 
1 1 1    2   14   33 o  456.465   6.7020  563.896   16.529  559.881   23.521  567.814   23.233  454.853   9.5696  458.078   9.3857 -3.225311 13.40407 
1 1 1    2   14   34 o  412.943   6.3734  459.572   14.193  427.544   19.390  496.542   20.832  397.504   9.0271  428.382   8.9995 -30.87796 12.74678 
1 1 1    2   14   35 o  188.320   6.8454   95.291   6.9375  104.211   10.401   88.141   9.3114  196.195   9.8105  180.445   9.5496 15.75009 13.69084 
1 1 1    2   14   36 o  524.682   10.140  745.757   28.748   0.0000   0.0000  745.757   28.748  ?   ?   524.682   10.140      ?      ? 
1 1 1    2   14   37 o  482.030   6.8970  628.241   17.947  601.170   24.738  658.324   26.078  471.092   9.7178  492.967   9.7897 -21.87570 13.79399 
1 1 1    2   14   38 o  159.681   7.5187   69.775   6.4268   61.489   9.3440   77.215   8.8537  150.553   11.486  168.809   9.7060 -18.25536 15.03747 
1 1 1    2   14   39 o  300.003   5.9007  243.998   9.5469  240.286   13.885  247.327   13.148  297.810   8.6280  302.195   8.0517 -4.384766 11.80135 
1 1 1    2   14   40 o  422.922   6.3633  485.004   14.536  481.823   20.825  488.027   20.299  421.546   9.1424  424.298   8.8535 -2.751984 12.72667 
1 1 1    2   14   41 o   56.810   13.186   5.6677   5.3511   15.786   8.1959  -1.8502   7.0646   74.453   19.963   39.167   17.233 35.28577 26.37220 
1 1 1    2   14   42 o  183.663   6.6107   91.779   6.5049   90.119   9.8151   93.079   8.6864  182.116   9.9738  185.211   8.6794 -3.094208 13.22147 
1 1 1    2   14   43 o  135.871   10.296   49.848   7.3100   53.311   12.149   47.883   9.1518  139.309   16.139  132.432   12.789 6.876678 20.59194 
1 1 1    2   14   44 o  450.430   9.0560  552.958   21.960  569.144   32.685  539.640   29.649  456.246   13.257  444.614   12.340 11.63211 18.11200 
1 1 1    2   14   45 o  240.435   7.8380  159.669   10.019  145.000   15.172  171.014   13.342  230.273   12.193  250.597   9.8525 -20.32491 15.67595 
1 1 1    2   14   46 o  130.143   8.1447   46.602   5.6597   44.373   8.5745   48.323   7.5340  127.232   12.472  133.055   10.479 -5.823242 16.28947 
1 1 1    2   14   47 o   43.530   12.496   0.9868   5.0349  -6.2928   7.8856   5.9971   6.5420   36.411   16.869   50.649   18.440 -14.23764 24.99256 
1 1 1    2   14   48 o   74.996   13.219   16.852   5.3805   12.812   8.3167   19.760   7.0562   67.074   20.792   82.919   16.329 -15.84430 26.43803 
1 1 1    2   14   49 o  263.192   7.0829  193.201   9.3974  179.527   16.261  200.058   11.515  255.397   11.783  270.987   7.8637 -15.59023 14.16575 
1 1 1    2   14   50 o  160.772   8.5406   70.318   6.8126   73.874   12.515   68.821   8.1214  162.977   14.210  158.566   9.4783 4.411041 17.08124 
1 1 1    2   14   51 o  331.447   6.9091  300.218   12.061  295.712   15.372  307.432   19.452  328.786   8.6523  334.107   10.774 -5.320679 13.81829 
1 1 1    2   14   52 o   87.130   12.058   22.224   5.4372   22.501   8.2262   22.008   7.2455   87.254   18.043   87.006   16.001 0.2472153 24.11572 
1 1 1    2   14   53 o  148.381   7.7035   60.733   6.1336   62.877   9.3014   59.083   8.1589  150.506   11.437  146.256   10.324 4.249939 15.40706 
1 1 1    2   14   54 o   78.629   12.878   18.893   5.5675   12.772   8.2926   23.916   7.5124   65.505   20.828   91.752   15.152 -26.24619 25.75629 
1 1 1    2   14   55 o  162.779   7.3125   72.907   6.3958   78.961   9.6907   68.234   8.5133  168.596   10.637  156.962   10.037 11.63377 14.62502 
1 1 1    2   14   56 f   33.808   11.263  -7.5849   5.2771  -4.0137   7.9971 -10.3393   7.0233   37.975   17.373   29.640   14.339 8.335043 22.52601 
1 1 1    2   14   57 o   44.699   14.425  -5.6330   6.9605  -9.2364   8.2503   3.2658   12.965   33.919   16.180   55.478   23.886 -21.55905 28.85012 
1 1 1    2   14   58 o   80.926   18.084   21.298   9.4108   30.946   13.422   11.971   13.198   95.989   25.460   65.863   25.689 30.12623 36.16814 
1 1 1    2   14   59 f  164.749   11.898   80.706   10.579   83.761   14.834   77.545   15.090  168.380   16.304  161.119   17.332 7.261703 23.79510 
1 1 1    2   14   60 o  186.629   8.9660   92.842   8.2772  120.338   15.894   82.610   9.6957  202.293   14.540  170.966   10.495 31.32640 17.93202 
1 1 1    2   14   61 o  254.358   6.4596  181.139   8.8371  179.573   13.104  182.445   11.968  252.906   9.5888  255.811   8.6579 -2.905823 12.91913 
1 1 1    2   14   62 o   55.245   14.047   4.1634   6.5661   18.922   9.7406  -8.1285   8.8895   74.709   22.374   35.780   16.990 38.92855 28.09358 
1 1 1    2   14   63 o  111.162   12.232   41.524   6.7824   29.932   10.007   51.375   9.2244   91.772   20.675  130.552   13.076 -38.77987 24.46301 
1 1 1    2   14   64 o   81.686   15.132   23.880   6.7727   21.806   10.290   25.466   8.9961   76.773   22.997   86.599   19.672 -9.826828 30.26313 
1 1 1    2   14   65 o  116.233   10.791   42.529   6.7514   47.234   10.078   38.698   9.0936  121.990   15.288  110.477   15.233 11.51260 21.58152 
1 1 1    2   15    0 o  280.711   8.2042  213.079   12.445   0.0000   0.0000  213.079   12.445  ?   ?   280.711   8.2042      ?      ? 
1 1 1    2   15    1 o  431.195   7.1967  502.672   16.769   0.0000   0.0000  502.672   16.769  ?   ?   431.195   7.1967      ?      ? 
1 1 1    2   15    2 o  593.428   10.829  952.844   34.726   0.0000   0.0000  952.844   34.726  ?   ?   593.428   10.829      ?      ? 
1 1 1    2   15    3 f  493.946   6.8002  659.569   18.150   0.0000   0.0000  659.569   18.150  ?   ?   493.946   6.8002      ?      ? 
1 1 1    2   15    4 o  549.225   7.3173  815.520   21.717   0.0000   0.0000  815.520   21.717  ?   ?   549.225   7.3173      ?      ? 
1 1 1    2   15    5 o  540.533   8.2682  778.328   20.622  814.414   42.571  767.265   23.572  548.375   14.366  532.692   8.1889 15.68341 16.53638 
1 1 1    2   15    6 o  476.078   7.5370  609.923   16.781  619.594   33.718  606.739   19.347  478.424   13.042  473.733   7.5578 4.691132 15.07402 
1 1 1    2   15    7 o  771.277   9.6513  1607.90   40.177  1559.96   55.221  1661.83   58.563  759.101   13.462  783.453   13.833 -24.35156 19.30259 
1 1 1    2   15    9 f  575.417   7.5953  895.656   23.616  893.054   33.358  898.271   33.440  574.578   10.744  576.255   10.739 -1.676208 15.19064 
1 1 1    2   15   10 o  356.841   5.7394  344.281   11.066  343.349   15.727  345.196   15.574  356.361   8.1672  357.321   8.0660 -0.9600220 11.47883 
1 1 1    2   15   12 o  221.987   5.4382  133.317   6.5138  131.205   9.4290  135.246   9.0093  220.300   7.9207  223.675   7.4539 -3.375198 10.87650 
1 1 1    2   15   13 o  210.057   7.5988  119.279   8.6252   0.0000   0.0000  119.279   8.6252  ?   ?   210.057   7.5988      ?      ? 
1 1 1    2   15   14 o  752.096   9.4190  1530.55   38.277  1537.60   54.474  1523.68   53.796  753.802   13.374  750.390   13.267 3.411865 18.83792 
1 1 1    2   15   15 o  582.811   7.6434  918.516   24.070  909.614   33.841  927.632   34.244  579.954   10.798  585.669   10.820 -5.714783 15.28681 
1 1 1    2   15   16 o  507.686   9.7573  696.901   26.768   0.0000   0.0000  696.901   26.768  ?   ?   507.686   9.7573      ?      ? 
1 1 1    2   15   17 o  1290.56   15.532  4516.90  108.317  4498.44  152.622  4535.63  153.749  1287.91   21.930  1293.21   22.002 -5.296997 31.06461 
1 1 1    2   15   18 o  635.562   11.631  1092.59   39.946   0.0000   0.0000  1092.59   39.946  ?   ?   635.562   11.631      ?      ? 
1 1 1    2   15   19 o  452.009   9.2015  552.420   22.475  552.420   22.475   0.0000   0.0000  452.009   9.2015  ?   ?       ?      ? 
1 1 1    2   15   20 o  930.604   11.446  2345.20   57.558  2348.06   81.727  2342.38   81.075  931.161   16.243  930.047   16.132 1.113892 22.89250 
1 1 1    2   15   21 o  534.351   7.1988  772.102   20.782  775.041   29.716  769.289   29.074  535.342   10.273  533.360   10.088 1.981689 14.39752 
1 1 1    2   15   22 o  649.334   11.824  1140.61   41.487   0.0000   0.0000  1140.61   41.487  ?   ?   649.334   11.824      ?      ? 
1 1 1    2   15   23 o  779.234   9.7610  1642.57   41.084  1610.07   57.130  1677.38   59.126  771.266   13.708  787.202   13.900 -15.93579 19.52192 
1 1 1    2   15   24 o  631.450   8.2121  1077.55   28.001  1045.90   38.718  1112.25   40.544  621.746   11.524  641.153   11.702 -19.40637 16.42418 
1 1 1    2   15   25 o  332.655   5.9243  299.350   10.641  295.908   15.309  302.567   14.800  330.798   8.5644  334.512   8.1879 -3.713409 11.84864 
1 1 1    2   15   26 o  389.569   8.6778  410.417   18.268   0.0000   0.0000  410.417   18.268  ?   ?   389.569   8.6778      ?      ? 
1 1 1    2   15   27 o  414.776   7.9483  471.978   16.969  487.857   21.204  443.694   28.299  424.715   9.2390  404.838   12.936 19.87619 15.89658 
1 1 1    2   15   28 o   99.626   14.438   34.554   7.5747   47.498   9.2264   7.7905   13.267  132.448   12.891   66.803   25.838 65.64574 28.87575 
1 1 1    2   15   29 o  407.809   7.9014  450.632   16.247  448.649   28.675  451.570   19.717  407.021   13.038  408.597   8.9300 -1.576233 15.80273 
1 1 1    2   15   30 o  457.276   9.4815  565.659   23.428   0.0000   0.0000  565.659   23.428  ?   ?   457.276   9.4815      ?      ? 
1 1 1    2   15   31 o  732.601   9.3309  1451.06   36.884  1399.65   50.520  1509.73   53.976  718.766   13.007  746.437   13.382 -27.67084 18.66179 
1 1 1    2   15   32 o  411.309   9.0051  457.757   20.015   0.0000   0.0000  457.757   20.015  ?   ?   411.309   9.0051      ?      ? 
1 1 1    2   15   33 o  682.304   12.390  1261.44   45.683   0.0000   0.0000  1261.44   45.683  ?   ?   682.304   12.390      ?      ? 
1 1 1    2   15   34 o  985.552   12.137  2641.60   64.622  2603.05   90.256  2682.15   92.566  978.211   17.075  992.892   17.253 -14.68073 24.27368 
1 1 1    2   15   35 o  354.304   6.1227  340.150   11.711  327.038   16.686  352.879   16.441  347.550   8.8847  361.058   8.4268 -13.50732 12.24537 
1 1 1    2   15   36 o  496.101   7.0162  666.808   18.808  657.473   26.525  676.246   26.672  492.604   9.9650  499.599   9.8796 -6.995239 14.03236 
1 1 1    2   15   37 o  238.215   6.1231  153.896   7.8598  150.718   11.487  156.694   10.777  235.875   9.0125  240.555   8.2911 -4.679230 12.24615 
1 1 1    2   15   38 f  195.098   6.6710  103.241   7.0002  102.701   10.399  103.688   9.4665  194.598   9.8889  195.597   8.9566 -0.9984131 13.34206 
1 1 1    2   15   39 o  114.895   9.4972   35.823   5.8190   36.706   9.0354   35.198   7.6065  116.032   14.411  113.758   12.374 2.274605 18.99441 
1 1 1    2   15   40 o  208.686   6.5642  119.154   7.3286  109.445   10.882  127.213   9.9141  200.767   10.031  216.605   8.4703 -15.83766 13.12847 
1 1 1    2   15   41 o  165.953   9.6788   77.222   8.1342   69.234   13.811   81.464   10.065  158.860   16.089  173.046   10.764 -14.18669 19.35761 
1 1 1    2   15   42 o   63.454   16.327   8.3701   6.8756   13.428   12.224   6.0293   8.3158   72.518   25.337   54.389   20.600 18.12814 32.65442 
1 1 1    2   15   43 o  514.559   9.9635  724.967   27.692  696.171   38.771  754.955   39.565  504.060   14.234  525.058   13.945 -20.99701 19.92692 
1 1 1    2   15   44 o  443.444   6.5864  535.204   15.778  531.568   22.536  538.700   22.098  441.924   9.4372  444.963   9.1904 -3.038818 13.17286 
1 1 1    2   15   45 o  277.470   5.8975  209.904   8.8180  199.783   12.748  219.187   12.210  270.960   8.7069  283.980   7.9568 -13.01974 11.79494 
1 1 1    2   15   46 o  128.624   8.6244   47.231   5.7437   35.947   8.7306   55.842   7.6265  114.190   14.149  143.059   9.8655 -28.86869 17.24884 
1 1 1    2   15   47 o  342.910   5.9664  320.223   11.040  322.382   16.061  318.288   15.201  343.936   8.6420  341.883   8.2285 2.053467 11.93279 
1 1 1    2   15   48 o   60.092   13.445   10.158   5.1847   4.8130   8.0054   14.020   6.8046   50.925   19.967   69.260   18.012 -18.33539 26.89079 
1 1 1    2   15   49 o   83.838   12.362   20.256   5.3997   23.343   8.1293   17.820   7.2234   89.627   17.413   78.050   17.553 11.57681 24.72444 
1 1 1    2   15   50 o  251.006   7.3250  177.048   9.1101  163.378   16.221  183.347   11.011  242.840   12.362  259.172   7.8620 -16.33134 14.64999 
1 1 1    2   15   51 o   48.290   13.729   3.5042   5.4559   5.8322   8.3792   1.7909   7.1885   52.812   20.505   43.768   18.261 9.044071 27.45734 
1 1 1    2   15   52 o  227.006   6.9919  141.861   8.4807  140.761   11.174  143.356   13.025  226.299   9.1375  227.713   10.585 -1.413895 13.98376 
1 1 1    2   15   53 o  184.258   6.7347   93.224   6.6703   97.056   10.037   90.193   8.9268  187.486   9.9071  181.031   9.1254 6.454681 13.46939 
1 1 1    2   15   54 o   57.409   14.178   9.2033   5.4794   6.9174   8.2977   10.971   7.2965   53.877   20.536   60.941   19.554 -7.063984 28.35667 
1 1 1    2   15   55 o   87.034   12.819   22.941   5.7680   22.931   8.9218   22.948   7.5605   86.287   19.583   87.781   16.546 -1.494209 25.63714 
1 1 1    2   15   56 o   79.155   13.343   20.029   5.9348   12.168   9.0524   25.954   7.8595   63.571   21.826   94.739   15.352 -31.16730 26.68507 
1 1 1    2   15   57 o  198.174   10.931  112.797   11.650  100.473   15.678  127.995   17.411  186.078   15.592  210.271   15.323 -24.19312 21.86115 
1 1 1    2   15   58 o  153.668   12.917   71.078   10.691   68.919   14.474   73.671   15.860  151.628   17.666  155.708   18.850 -4.079742 25.83394 
1 1 1    2   15   59 o  103.403   14.547   32.660   7.3868   40.023   13.305   29.379   8.8811  109.293   23.244   97.514   17.497 11.77901 29.09386 
1 1 1    2   15   60 o   84.517   14.021   22.495   6.3945   32.428   9.8529   15.267   8.4052  101.135   18.718   67.899   20.879 33.23653 28.04106 
1 1 1    2   15   61 o  124.217   12.032   49.324   7.1459   28.288   10.273   69.045   9.9466   92.975   20.950  155.459   11.840 -62.48385 24.06436 
1 1 1    2   15   62 o  164.636   8.4913   80.640   7.4683   73.122   11.022   87.021   10.155  156.213   13.057  173.058   10.859 -16.84523 16.98257 
1 1 1    2   15   63 o  138.033   9.3374   55.988   6.8672   60.637   10.787   52.820   8.9047  141.949   14.063  134.116   12.287 7.833847 18.67490 
1 1 1    2   15   64 o   61.406   14.993   12.684   6.5882   22.800   9.9429   4.7659   8.7963   76.551   22.527   46.261   19.790 30.28998 29.98537 
1 1 1    2   16    0 o  511.139   9.7276  706.573   26.868   0.0000   0.0000  706.573   26.868  ?   ?   511.139   9.7276      ?      ? 
1 1 1    2   16    1 o  220.718   6.0627  131.673   7.2309   0.0000   0.0000  131.673   7.2309  ?   ?   220.718   6.0627      ?      ? 
1 1 1    2   16    2 o  541.026   10.086  791.674   29.488   0.0000   0.0000  791.674   29.488  ?   ?   541.026   10.086      ?      ? 
1 1 1    2   16    3 o  340.312   7.6496  313.092   14.067   0.0000   0.0000  313.092   14.067  ?   ?   340.312   7.6496      ?      ? 
1 1 1    2   16    4 o  163.498   6.5031   72.255   5.7454   0.0000   0.0000   72.255   5.7454  ?   ?   163.498   6.5031      ?      ? 
1 1 1    2   16    5 o  377.245   6.9515  389.141   13.485  370.721   22.621  399.295   16.795  370.185   11.309  384.306   8.0874 -14.12070 13.90300 
1 1 1    2   16    6 o  605.848   9.5582  994.875   29.566  989.189   50.903  997.770   36.321  604.362   15.587  607.334   11.067 -2.971436 19.11635 
1 1 1    2   16    7 o  333.119   5.6716  299.712   10.203  307.996   14.749  292.110   14.130  337.527   8.0864  328.711   7.9548 8.816254 11.34324 
1 1 1    2   16    8 o  819.997   14.436  1820.17   63.967   0.0000   0.0000  1820.17   63.967  ?   ?   819.997   14.436      ?      ? 
1 1 1    2   16   10 o  964.837   11.850  2520.62   61.770  2547.32   88.380  2495.12   86.368  969.817   16.865  959.857   16.652 9.959290 23.70006 
1 1 1    2   16   12 o  1239.86   14.954  4165.17  100.133  4248.15  144.493  4088.50  138.892  1251.69   21.363  1228.03   20.931 23.65674 29.90769 
1 1 1    2   16   14 o  119.777   11.702   38.804   7.5736   0.0000   0.0000   38.804   7.5736  ?   ?   119.777   11.702      ?      ? 
1 1 1    2   16   16 o  978.411   11.980  2592.77   63.337  2599.99   90.064  2585.70   89.089  979.749   17.012  977.073   16.874 2.675659 23.96081 
1 1 1    2   16   17 o  1080.19   13.125  3161.59   76.606  3133.30  107.460  3190.84  109.236  1075.28   18.494  1085.09   18.630 -9.804932 26.25092 
1 1 1    2   16   18 o  1234.06   14.887  4130.56   99.271  4112.56  139.842  4148.84  140.947  1231.36   21.017  1236.76   21.090 -5.401367 29.77416 
1 1 1    2   16   19 o  558.416   7.5427  842.393   22.746  815.870   31.496  871.303   32.883  549.243   10.612  567.589   10.721 -18.34637 15.08537 
1 1 1    2   16   20 o  615.910   8.0727  1025.85   26.863  1007.55   37.604  1044.92   38.388  610.303   11.403  621.516   11.430 -11.21301 16.14539 
1 1 1    2   16   21 o  186.280   6.7000   93.857   6.7426   95.042   9.4713   92.641   9.6010  187.474   9.3493  185.086   9.5996 2.387711 13.40007 
1 1 1    2   16   22 o  719.407   9.1767  1400.21   35.664  1373.52   49.719  1428.49   51.184  712.356   12.916  726.457   13.039 -14.10095 18.35335 
1 1 1    2   16   23 o  368.991   8.5727  368.187   17.093   0.0000   0.0000  368.187   17.093  ?   ?   368.991   8.5727      ?      ? 
1 1 1    2   16   24 o  601.428   7.9970  978.352   25.983  957.474   36.260  1000.39   37.252  594.838   11.281  608.018   11.338 -13.17950 15.99406 
1 1 1    2   16   25 o  611.367   8.1069  1011.28   26.780  997.483   37.597  1025.49   38.154  607.135   11.460  615.599   11.470 -8.463806 16.21374 
1 1 1    2   16   26 o   89.157   16.615   22.928   7.9160   24.880   9.7139   19.068   13.658   93.982   19.755   84.332   26.721 9.649864 33.23041 
1 1 1    2   16   27 o  222.070   8.5080  126.006   9.4572  114.964   11.199  153.446   17.655  206.135   10.054  238.006   13.728 -31.87109 17.01600 
1 1 1    2   16   28 o  235.724   8.5287  161.857   10.071  108.131   15.672  199.647   13.144  199.764   14.519  271.684   8.9532 -71.91939 17.05733 
1 1 1    2   16   29 o  670.418   10.668  1237.42   37.211  1145.27   60.278  1294.15   47.299  649.595   17.172  691.241   12.663 -41.64563 21.33620 
1 1 1    2   16   30 o  811.685   10.214  1783.60   44.746  1724.45   61.505  1850.11   65.218  797.449   14.273  825.920   14.613 -28.47076 20.42714 
1 1 1    2   16   31 o  496.234   9.9727  666.525   26.742   0.0000   0.0000  666.525   26.742  ?   ?   496.234   9.9727      ?      ? 
1 1 1    2   16   33 o  692.017   8.9380  1298.90   33.419  1279.69   46.844  1318.81   47.692  686.811   12.622  697.224   12.659 -10.41260 17.87599 
1 1 1    2   16   34 o  333.222   6.1788  300.684   11.115  299.328   16.052  301.933   15.407  332.485   8.9343  333.960   8.5374 -1.475250 12.35750 
1 1 1    2   16   35 o  203.383   6.5049  111.799   7.1207  114.698   10.608  109.421   9.6067  205.759   9.5409  201.008   8.8445 4.750854 13.00975 
1 1 1    2   16   36 o  158.521   7.7036   68.283   6.5680   67.033   9.7227   69.332   8.9078  157.150   11.449  159.891   10.310 -2.741364 15.40728 
1 1 1    2   16   37 o  499.504   7.0719  676.962   19.085  670.476   27.131  683.315   26.853  497.115   10.100  501.892   9.9012 -4.777771 14.14374 
1 1 1    2   16   38 o  190.733   7.0683   98.647   7.1895   99.300   11.118   98.178   9.4251  191.206   10.761  190.261   9.1675 0.9455414 14.13657 
1 1 1    2   16   39 o  205.934   8.7474  117.387   9.4462  106.914   14.921  124.392   12.203  197.920   13.952  213.947   10.555 -16.02654 17.49474 
1 1 1    2   16   40 o  372.183   8.5310  378.909   17.098  353.378   24.618  402.703   23.766  359.861   12.660  384.505   11.438 -24.64352 17.06199 
1 1 1    2   16   41 o  449.050   9.2330  549.094   22.272  565.991   33.571  535.811   29.766  454.973   13.655  443.127   12.431 11.84631 18.46591 
1 1 1    2   16   42 o  427.719   6.5119  497.497   15.046  487.367   21.400  507.398   21.157  423.371   9.3542  432.067   9.0619 -8.696625 13.02382 
1 1 1    2   16   43 o  306.386   8.1557  255.082   13.503   0.0000   0.0000  255.082   13.503  ?   ?   306.386   8.1557      ?      ? 
1 1 1    2   16   44 o  351.078   6.0725  335.294   11.504  336.577   16.727  334.143   15.848  351.652   8.8029  350.503   8.3673 1.149628 12.14509 
1 1 1    2   16   45 o   81.438   12.855   19.442   5.4503   17.671   8.5165   20.670   7.0931   77.823   20.108   85.052   16.021 -7.229012 25.71017 
1 1 1    2   16   46 o   47.606   13.552   2.9912   5.2715   5.1491   8.3524   1.5626   6.7960   52.337   20.430   42.875   17.811 9.461334 27.10333 
1 1 1    2   16   47 o  184.286   6.7725   93.107   6.6920   91.171   10.051   94.649   8.9691  182.409   10.197  186.163   8.9160 -3.753204 13.54504 
1 1 1    2   16   48 o  220.127   6.2505  132.149   7.3982  135.098   11.077  129.775   9.9403  222.228   9.2243  218.027   8.4373 4.201355 12.50104 
1 1 1    2   16   49 o  220.664   6.1749  133.870   7.3094  127.252   10.850  139.369   9.8903  215.453   9.3198  225.874   8.1031 -10.42181 12.34989 
1 1 1    2   16   50 o  187.906   6.8888   98.424   6.8605   88.908   10.469  105.586   9.0825  179.463   10.796  196.349   8.5603 -16.88637 13.77756 
1 1 1    2   16   51 o  217.346   7.7986  130.839   8.4221  130.923   15.238  130.801   10.106  216.330   13.035  218.363   8.5647 -2.033691 15.59723 
1 1 1    2   16   52 o  131.870   9.3886   48.680   6.6632   47.165   8.9748   50.541   9.9465  129.768   12.799  133.971   13.740 -4.202362 18.77716 
1 1 1    2   16   53 o  111.550   11.349   36.276   6.5220   27.664   9.0545   45.563   9.4023   96.140   18.093  126.959   13.705 -30.81853 22.69768 
1 1 1    2   16   54 o  129.341   8.9627   45.862   6.1152   62.448   9.4612   33.962   8.0141  149.265   11.730  109.417   13.555 39.84765 17.92538 
1 1 1    2   16   55 o   45.251   14.727  -5.8727   7.4106  -8.7555   8.7854   1.2378   13.798   35.728   16.944   54.773   24.092 -19.04483 29.45366 
1 1 1    2   16   56 o  302.590   9.5134  260.932   15.550  261.261   21.713  260.586   22.278  303.009   13.261  302.171   13.644 0.8383789 19.02676 
1 1 1    2   16   57 f   71.688   16.426   11.553   9.8171   33.356   13.436 -13.4167   14.379   99.015   25.083   44.361   21.216 54.65374 32.85270 
1 1 1    2   16   58 o  244.348   8.1689  168.866   9.9119  171.509   17.959  167.708   11.886  243.333   13.659  245.362   8.9649 -2.029282 16.33785 
1 1 1    2   16   59 o   75.740   14.703   19.658   6.4213   13.957   9.7510   24.023   8.5326   64.890   22.632   86.590   18.777 -21.70064 29.40668 
1 1 1    2   16   60 o  266.336   9.1076  198.120   13.108   0.0000   0.0000  198.120   13.108  ?   ?   266.336   9.1076      ?      ? 
1 1 1    2   16   61 o   84.922   14.776   25.470   6.7197   23.798   10.232   26.737   8.9109   80.581   22.589   89.264   19.054 -8.683426 29.55150 
1 1 1    2   16   62 o   74.573   15.418   20.236   6.6751   17.585   10.189   22.230   8.8349   68.989   23.161   80.157   20.358 -11.16795 30.83662 
1 1 1    2   16   63 o   67.204   14.205   14.318   6.5957   29.810   10.055   2.6162   8.7385   90.697   20.940   43.711   19.201 46.98611 28.41034 
1 1 1    2   17    0 o  794.949   11.539  1709.30   49.568   0.0000   0.0000  1709.30   49.568  ?   ?   794.949   11.539      ?      ? 
1 1 1    2   17    1 o  379.192   9.1074  388.755   18.661   0.0000   0.0000  388.755   18.661  ?   ?   379.192   9.1074      ?      ? 
1 1 1    2   17    2 o  776.901   9.7709  1632.04   41.019   0.0000   0.0000  1632.04   41.019  ?   ?   776.901   9.7709      ?      ? 
1 1 1    2   17    3 o  1335.41   16.046  4828.34  115.788   0.0000   0.0000  4828.34  115.788  ?   ?   1335.41   16.046      ?      ? 
1 1 1    2   17    4 f  706.365   12.887  1349.89   49.188   0.0000   0.0000  1349.89   49.188  ?   ?   706.365   12.887      ?      ? 
1 1 1    2   17    5 o  355.881   7.8870  342.359   15.167   0.0000   0.0000  342.359   15.167  ?   ?   355.881   7.8870      ?      ? 
1 1 1    2   17    6 o  651.320   10.202  1148.87   33.871  1145.49   58.549  1150.56   41.526  650.425   16.659  652.215   11.783 -1.789673 20.40427 
1 1 1    2   17    7 o  816.766   11.745  1800.70   44.802  1817.34   90.047  1795.23   51.648  818.829   20.351  814.704   11.732 4.125244 23.49059 
1 1 1    2   17   10 o  167.188   6.5690   75.398   5.9254   78.640   8.6806   72.570   8.1082  170.543   9.4194  163.833   9.1588 6.710236 13.13808 
1 1 1    2   17   12 o  650.260   8.4171  1143.80   29.576  1135.13   41.712  1152.57   41.941  647.781   11.916  652.738   11.891 -4.957092 16.83428 
1 1 1    2   17   15 o  1029.03   12.567  2868.23   69.864  2833.12   97.707  2904.97   99.938  1022.60   17.682  1035.45   17.861 -12.85706 25.13316 
1 1 1    2   17   16 o  853.643   10.619  1970.73   48.944  1923.40   67.613  2022.83   70.941  842.907   14.844  864.379   15.188 -21.47229 21.23767 
1 1 1    2   17   17 o  709.604   9.0941  1362.31   34.868  1344.66   48.907  1380.55   49.723  704.934   12.839  714.274   12.883 -9.340942 18.18812 
1 1 1    2   17   18 o  355.744   6.1409  342.001   11.800  328.810   16.499  355.812   16.883  348.723   8.7558  362.764   8.6126 -14.04062 12.28174 
1 1 1    2   17   20 o  446.333   6.6773  537.434   16.083  511.133   22.077  567.182   23.479  434.727   9.3978  457.938   9.4881 -23.21069 13.35454 
1 1 1    2   17   22 o  698.303   9.0069  1320.05   33.985  1319.51   48.237  1320.57   47.890  698.157   12.786  698.449   12.689 -0.2919312 18.01371 
1 1 1    2   17   23 o  580.236   7.8772  910.549   24.692  888.536   34.479  933.724   35.378  573.041   11.135  587.431   11.145 -14.38983 15.75443 
1 1 1    2   17   24 o  780.975   9.8924  1650.88   41.728  1612.78   57.949  1691.92   60.137  771.636   13.898  790.314   14.082 -18.67792 19.78476 
1 1 1    2   17   25 f  239.768   8.4468  155.499   10.551  155.136   13.259  156.126   17.425  239.449   10.247  240.088   13.431 -0.6386871 16.89365 
1 1 1    2   17   26 o  460.174   8.5512  577.538   20.173  587.054   24.978  559.685   34.212  465.818   9.9232  454.531   13.929 11.28668 17.10236 
1 1 1    2   17   27 o  549.768   9.4179  784.784   25.207  897.523   48.842  743.856   29.429  575.266   15.712  524.269   10.388 50.99658 18.83575 
1 1 1    2   17   28 o  443.053   8.2949  541.914   18.949  495.721   31.227  568.838   23.840  427.642   13.513  458.465   9.6232 -30.82214 16.58972 
1 1 1    2   17   29 o  388.081   6.4990  407.546   13.622  390.935   19.171  424.484   19.359  380.085   9.3343  396.078   9.0452 -15.99246 12.99791 
1 1 1    2   17   30 o  459.418   6.8636  570.834   17.031  547.987   23.702  595.220   24.487  449.920   9.7490  468.917   9.6640 -18.99704 13.72722 
1 1 1    2   17   32 o  590.071   7.9467  943.378   25.331  919.403   35.324  968.760   36.346  582.360   11.225  597.782   11.252 -15.42230 15.89349 
1 1 1    2   17   33 f  331.702   6.1618  298.008   11.041  292.673   15.705  303.221   15.526  328.755   8.8405  334.648   8.5858 -5.893036 12.32354 
1 1 1    2   17   34 o  387.064   6.3523  405.853   13.278  406.059   19.115  405.661   18.459  387.141   9.1372  386.987   8.8271 0.1542358 12.70458 
1 1 1    2   17   35 o  122.966   9.9051   41.503   6.4999   38.682   9.8002   43.719   8.6851  119.120   15.225  126.812   12.674 -7.691605 19.81020 
1 1 1    2   17   36 o  250.064   7.9092  173.254   9.7926  161.239   17.537  178.698   11.804  243.354   13.336  256.774   8.5076 -13.41995 15.81844 
1 1 1    2   17   37 o  213.342   9.0837  111.486   9.9312  174.347   17.604   82.140   12.028  253.013   12.876  173.671   12.817 79.34171 18.16737 
1 1 1    2   17   38 o  342.958   8.3319  318.806   15.280  330.405   23.540  310.360   20.086  348.152   12.513  337.764   11.005 10.38824 16.66373 
1 1 1    2   17   39 o  597.293   9.6436  980.262   29.985  994.146   37.818  956.757   49.206  603.997   11.587  590.590   15.419 13.40637 19.28719 
1 1 1    2   17   40 o  286.381   6.0950  222.421   9.3746  225.000   14.091  220.373   12.557  287.794   9.0609  284.967   8.1544 2.827728 12.18991 
1 1 1    2   17   41 o  166.142   7.4503   76.329   6.5048   70.004   10.239   80.610   8.4232  160.101   11.835  172.184   9.0531 -12.08293 14.90052 
1 1 1    2   17   42 o  119.885   9.3909   37.878   5.9609   48.864   9.6249   31.042   7.5921  133.415   13.351  106.355   13.210 27.06004 18.78176 
1 1 1    2   17   43 o  109.144   9.8091   32.230   5.6984   35.961   9.0378   29.768   7.3415  114.182   14.648  104.105   13.050 10.07634 19.61823 
1 1 1    2   17   44 o  119.175   9.1465   38.864   5.8155   40.241   9.0331   37.889   7.6000  120.820   13.836  117.531   11.967 3.289047 18.29299 
1 1 1    2   17   45 o  143.439   8.0413   56.212   6.0677   57.694   9.8216   55.297   7.7165  144.710   12.560  142.168   10.044 2.541458 16.08257 
1 1 1    2   17   46 o  249.642   6.0533  170.324   8.1203  167.716   12.087  172.469   10.963  247.757   9.0286  251.526   8.0656 -3.769226 12.10662 
1 1 1    2   17   47 o   88.196   12.456   23.811   5.6272   16.641   8.9071   28.573   7.2594   74.875   21.106  101.516   13.234 -26.64127 24.91199 
1 1 1    2   17   48 o  215.026   6.5003  126.643   7.4647  127.441   11.477  126.059   9.8274  215.379   9.8614  214.673   8.4717 0.7055054 13.00065 
1 1 1    2   17   49 o   68.872   14.213   14.370   5.6523   11.535   8.9632   16.243   7.2830   63.893   21.721   73.851   18.335 -9.958599 28.42520 
1 1 1    2   17   50 o  118.000   9.6547   39.218   6.0203   38.529   9.5028   39.680   7.7809  116.639   15.077  119.360   12.064 -2.721260 19.30949 
1 1 1    2   17   51 o  289.712   7.5460  231.652   10.854  234.910   19.732  230.238   12.997  289.741   12.603  289.683   8.3028 0.5746460E-01 15.09193 
1 1 1    2   17   52 o  256.705   13.019  185.540   18.060  185.540   18.060   0.0000   0.0000  256.705   13.019  ?   ?       ?      ? 
1 1 1    2   17   53 o  121.814   10.581   42.617   6.9413   46.484   9.8243   38.761   9.8086  127.675   14.240  115.954   15.654 11.72085 21.16205 
1 1 1    2   17   54 o   39.559   13.559 -12.6071   7.7860 -10.6419   9.0241 -18.3311   15.401   34.953   16.740   44.165   21.334 -9.211731 27.11785 
1 1 1    2   17   55 o   69.898   18.862   14.025   10.242   19.649   13.920   7.3874   15.123   77.282   27.035   62.515   26.310 14.76675 37.72475 
1 1 1    2   17   56 o  104.180   19.530   38.460   11.182   40.068   15.746   36.824   15.883  106.868   27.198  101.491   28.034 5.376892 39.05965 
1 1 1    2   17   57 o  100.050   16.997   27.756   7.9519   49.707   17.016   21.622   8.9945  118.404   27.171   81.695   20.428 36.70855 33.99352 
1 1 1    2   17   58 o   41.730   13.580  -4.7190   6.7925   1.3461   11.160  -8.2883   8.5610   48.725   21.539   34.734   16.545 13.99093 27.15938 
1 1 1    2   17   60 o   60.341   16.268   11.477   7.3641   17.825   11.574   7.1579   9.5457   68.690   24.592   51.993   21.303 16.69666 32.53590 
1 1 1    2   17   61 o  201.612   8.3932  119.213   8.9842  117.146   13.949  120.679   11.744  198.574   13.000  204.651   10.620 -6.077576 16.78649 
1 1 1    2   17   62 o   47.451   14.530  -3.0258   7.1849   16.438   12.163 -13.4581   8.9046   63.840   24.727   31.061   15.266 32.77936 29.05979 
1 1 1    2   18    0 o  473.877   10.015  607.230   25.646   0.0000   0.0000  607.230   25.646  ?   ?   473.877   10.015      ?      ? 
1 1 1    2   18    1 o  380.844   6.3004  392.009   12.966   0.0000   0.0000  392.009   12.966  ?   ?   380.844   6.3004      ?      ? 
1 1 1    2   18    2 o  582.353   9.0202  916.911   28.385   0.0000   0.0000  916.911   28.385  ?   ?   582.353   9.0202      ?      ? 
1 1 1    2   18    3 o  376.885   8.2048  383.992   16.710   0.0000   0.0000  383.992   16.710  ?   ?   376.885   8.2048      ?      ? 
1 1 1    2   18    4 o  284.280   7.8007  218.462   11.983   0.0000   0.0000  218.462   11.983  ?   ?   284.280   7.8007      ?      ? 
1 1 1    2   18    5 o  1156.89   14.013  3622.26   87.599   0.0000   0.0000  3622.26   87.599  ?   ?   1156.89   14.013      ?      ? 
1 1 1    2   18    6 o  612.930   9.2186  1009.34   26.388  1030.86   53.201  1002.32   30.390  617.007   15.957  608.854   9.2368 8.153137 18.43721 
1 1 1    2   18    7 o  307.613   6.2945  252.338   9.1494  263.063   18.214  248.719   10.581  311.874   10.808  303.352   6.4550 8.522827 12.58891 
1 1 1    2   18   12 o  331.476   6.1509  296.844   11.013  306.507   15.830  287.779   15.332  336.701   8.7007  326.252   8.6969 10.44858 12.30190 
1 1 1    2   18   13 o  473.627   6.9064  604.904   17.646  577.794   24.119  636.131   25.886  462.245   9.6561  485.009   9.8770 -22.76480 13.81286 
1 1 1    2   18   15 o  186.215   10.191   93.788   10.254   0.0000   0.0000   93.788   10.254  ?   ?   186.215   10.191      ?      ? 
1 1 1    2   18   16 f  746.238   9.4981  1507.39   38.298  1494.29   53.827  1520.83   54.503  742.956   13.408  749.519   13.457 -6.562561 18.99612 
1 1 1    2   18   17 o  441.460   6.6942  527.102   15.969  528.240   22.603  525.969   22.565  441.935   9.4648  440.984   9.4694 0.9512634 13.38849 
1 1 1    2   18   20 o  472.289   7.0426  602.555   17.961  581.143   24.838  626.022   26.002  463.509   9.9167  481.069   10.003 -17.55954 14.08528 
1 1 1    2   18   21 o  758.967   9.7051  1555.98   39.730  1496.20   54.235  1625.21   58.366  743.305   13.503  774.628   13.944 -31.32281 19.41021 
1 1 1    2   18   22 o  304.804   9.1442  251.300   15.061   0.0000   0.0000  251.300   15.061  ?   ?   304.804   9.1442      ?      ? 
1 1 1    2   18   24 o  145.316   10.011   57.817   7.7688   66.445   10.830   48.671   11.150  156.640   12.795  133.993   15.400 22.64627 20.02171 
1 1 1    2   18   25 o  443.329   8.5757  526.023   19.225  514.893   23.264  550.000   34.144  436.198   9.8698  450.460   14.027 -14.26114 17.15138 
1 1 1    2   18   26 o  565.585   9.5857  866.472   27.513  869.144   48.042  865.168   33.562  565.912   15.710  565.258   10.988 0.6533203 19.17146 
1 1 1    2   18   27 o  563.067   9.4643  866.024   27.326  838.063   46.296  880.973   33.852  555.739   15.416  570.395   10.983 -14.65570 18.92855 
1 1 1    2   18   28 o  629.008   11.754  1072.04   39.952   0.0000   0.0000  1072.04   39.952  ?   ?   629.008   11.754      ?      ? 
1 1 1    2   18   29 o  526.296   10.395  750.393   29.562   0.0000   0.0000  750.393   29.562  ?   ?   526.296   10.395      ?      ? 
1 1 1    2   18   30 o  310.589   8.7035  261.161   14.607   0.0000   0.0000  261.161   14.607  ?   ?   310.589   8.7035      ?      ? 
1 1 1    2   18   31 o  214.980   7.0868  126.413   8.1436  106.958   11.662  144.926   11.377  198.630   10.866  231.329   9.1010 -32.69878 14.17361 
1 1 1    2   18   32 o  327.977   6.2160  291.130   10.998  295.032   16.071  287.692   15.084  330.022   9.0115  325.932   8.5642 4.090271 12.43196 
1 1 1    2   18   33 o  171.464   8.1081   79.430   7.4826   84.094   11.198   75.667   10.058  175.965   11.777  166.962   11.148 9.003662 16.21626 
1 1 1    2   18   34 o  455.280   9.5359  564.783   23.439  550.000   33.579  578.829   32.731  449.377   13.828  461.184   13.134 -11.80722 19.07173 
1 1 1    2   18   35 o  494.450   10.058  666.203   26.850  627.928   37.434  706.757   38.532  479.765   14.440  509.134   14.006 -29.36911 20.11621 
1 1 1    2   18   36 o  267.733   8.8176  193.700   12.440  202.275   20.130  188.401   15.824  272.265   13.682  263.201   11.126 9.063477 17.63515 
1 1 1    2   18   37 o  355.094   8.6613  342.273   16.619   0.0000   0.0000  342.273   16.619  ?   ?   355.094   8.6613      ?      ? 
1 1 1    2   18   38 o  260.341   6.3031  183.783   8.8007  186.271   13.325  181.858   11.721  261.824   9.4182  258.857   8.3793 2.967102 12.60620 
1 1 1    2   18   39 o  236.539   6.4166  152.464   8.1186  149.076   12.317  155.066   10.796  234.105   9.7367  238.973   8.3600 -4.868332 12.83328 
1 1 1    2   18   40 o  193.371   6.9512  101.718   7.2000  102.812   10.954  100.885   9.5537  194.187   10.439  192.556   9.1818 1.631134 13.90249 
1 1 1    2   18   41 o  155.661   8.0747   67.539   6.6382   58.725   10.102   74.238   8.8066  146.312   12.777  165.009   9.8767 -18.69629 16.14949 
1 1 1    2   18   42 o  107.700   11.377   34.982   5.9392   24.578   9.4857   41.690   7.6171   91.986   19.679  123.413   11.422 -31.42674 22.75322 
1 1 1    2   18   43 o  288.169   6.1465  226.619   9.5163  222.749   14.170  229.798   12.844  285.786   9.1759  290.551   8.1804 -4.764984 12.29290 
1 1 1    2   18   44 o  279.704   8.2898  213.279   12.529   0.0000   0.0000  213.279   12.529  ?   ?   279.704   8.2898      ?      ? 
1 1 1    2   18   45 o  129.797   9.3202   47.612   6.3377   41.928   9.9023   51.556   8.2483  122.654   14.941  136.941   11.147 -14.28770 18.64050 
1 1 1    2   18   46 o  151.583   8.2058   63.976   6.5399   60.572   10.370   66.224   8.4268  147.813   12.984  155.353   10.038 -7.540085 16.41152 
1 1 1    2   18   47 f  177.551   7.5184   86.864   7.0727   87.070   11.152   86.725   9.1478  177.379   11.635  177.722   9.5254 -0.3431702 15.03689 
1 1 1    2   18   48 o  276.387   6.3143  208.785   9.3562  215.452   14.241  203.722   12.410  280.025   9.4118  272.750   8.4201 7.275208 12.62855 
1 1 1    2   18   49 o   56.799   14.621   8.4372   5.8794   5.0998   9.5603   10.467   7.4560   53.357   21.519   60.241   19.799 -6.884075 29.24175 
1 1 1    2   18   50 o  281.356   6.3103  218.221   9.5465  212.478   14.110  223.069   12.965  277.658   9.4040  285.053   8.4168 -7.394562 12.62053 
1 1 1    2   18   51 o   40.276   12.877  -5.0672   5.8500   1.9829   9.6748  -9.1304   7.3448   48.943   20.841   31.609   15.129 17.33426 25.75370 
1 1 1    2   18   52 o  220.273   8.4973  128.158   8.9005  154.257   18.025  119.742   10.235  232.401   14.353  208.145   9.1002 24.25595 16.99467 
1 1 1    2   18   53 f  114.356   26.081   43.626   15.759   43.626   15.759   0.0000   0.0000  114.356   26.081  ?   ?       ?      ? 
1 1 1    2   18   54 o  234.727   15.557  159.910   19.732  159.910   19.732   0.0000   0.0000  234.727   15.557  ?   ?       ?      ? 
1 1 1    2   18   55 o   63.259   18.836   8.2507   11.172   13.311   15.400   2.6284   16.233   68.131   27.370   58.387   25.885 9.744049 37.67131 
1 1 1    2   18   56 o  187.312   8.1873   98.417   8.1328  106.866   12.996   92.979   10.427  193.093   12.456  181.530   10.629 11.56232 16.37454 
1 1 1    2   18   57 o  111.864   13.527   41.708   7.4381   30.959   11.864   48.671   9.5477   94.739   23.329  128.988   13.698 -34.24921 27.05348 
1 1 1    2   18   59 o  112.255   12.800   41.535   7.2023   36.350   11.461   44.919   9.2592  102.308   21.418  122.203   14.022 -19.89507 25.59942 
1 1 1    2   18   60 o  112.015   13.695   44.271   7.4818   30.512   11.858   53.370   9.6434   90.337   23.917  133.693   13.349 -43.35560 27.38953 
1 1 1    2   18   61 o   41.318   13.529  -2.1030   7.1359  -4.8621   11.241  -0.2410   9.2350   41.063   19.381   41.573   18.883 -0.5103683 27.05885 
1 1 1    2   19    0 o  908.626   11.270  2233.15   55.333   0.0000   0.0000  2233.15   55.333  ?   ?   908.626   11.270      ?      ? 
1 1 1    2   19    1 o  538.080   10.957  783.095   31.859   0.0000   0.0000  783.095   31.859  ?   ?   538.080   10.957      ?      ? 
1 1 1    2   19    2 o  1168.96   14.189  3698.54   89.629   0.0000   0.0000  3698.54   89.629  ?   ?   1168.96   14.189      ?      ? 
1 1 1    2   19    3 o  168.985   7.7557   77.195   7.0821   0.0000   0.0000   77.195   7.0821  ?   ?   168.985   7.7557      ?      ? 
1 1 1    2   19    4 o  151.717   8.2332   62.229   6.7498   0.0000   0.0000   62.229   6.7498  ?   ?   151.717   8.2332      ?      ? 
1 1 1    2   19    5 o  582.990   7.9220  918.807   24.956   0.0000   0.0000  918.807   24.956  ?   ?   582.990   7.9220      ?      ? 
1 1 1    2   19    6 o  437.833   6.6682  518.143   15.776   0.0000   0.0000  518.143   15.776  ?   ?   437.833   6.6682      ?      ? 
1 1 1    2   19    7 o  442.838   7.8902  528.680   17.820  535.811   30.897  525.126   21.814  444.985   12.849  440.691   9.1606 4.294006 15.78038 
1 1 1    2   19    8 o  224.367   7.2367  133.868   8.1059  142.072   14.797  130.350   9.6889  229.156   11.950  219.578   8.1658 9.577621 14.47342 
1 1 1    2   19   11 o  642.728   8.5083  1117.45   29.541  1132.70   42.417  1103.09   41.165  646.975   12.133  638.480   11.931 8.494995 17.01651 
1 1 1    2   19   18 o  488.881   7.2535  646.302   19.157  633.130   26.706  660.261   27.494  483.755   10.216  494.006   10.299 -10.25089 14.50703 
1 1 1    2   19   19 o  880.187   11.035  2097.14   52.427  2039.95   72.129  2161.20   76.335  867.523   15.387  892.851   15.822 -25.32758 22.06987 
1 1 1    2   19   20 o  184.664   8.5048   92.712   8.4428   82.604   12.016  102.568   11.865  174.658   12.732  194.670   11.279 -20.01213 17.00953 
1 1 1    2   19   21 o  309.918   9.5923  259.841   16.064   0.0000   0.0000  259.841   16.064  ?   ?   309.918   9.5923      ?      ? 
1 1 1    2   19   23 o  348.869   9.4755  329.360   17.863   0.0000   0.0000  329.360   17.863  ?   ?   348.869   9.4755      ?      ? 
1 1 1    2   19   24 o  212.029   9.3707  115.185   10.101  103.657   12.110  141.531   18.308  195.638   11.456  228.420   14.833 -32.78178 18.74138 
1 1 1    2   19   25 o  334.020   9.2987  301.934   16.783   0.0000   0.0000  301.934   16.783  ?   ?   334.020   9.2987      ?      ? 
1 1 1    2   19   26 o  309.235   7.7683  260.988   12.306  252.928   20.901  265.264   15.224  305.417   12.664  313.053   8.9998 -7.635712 15.53653 
1 1 1    2   19   27 o   49.537   14.959  -0.7190   7.2291  -5.2979   10.779   3.0246   9.7461   45.956   20.681   53.119   21.618 -7.163486 29.91702 
1 1 1    2   19   28 o   75.203   15.694   15.299   7.0897   9.2495   9.9323   21.584   10.123   63.272   22.768   87.133   21.607 -23.86109 31.38801 
1 1 1    2   19   29 o  332.296   6.4864  299.281   11.638  288.413   16.555  309.901   16.365  326.308   9.3887  338.284   8.9525 -11.97595 12.97284 
1 1 1    2   19   30 o  475.291   9.8153  612.237   25.209   0.0000   0.0000  612.237   25.209  ?   ?   475.291   9.8153      ?      ? 
1 1 1    2   19   31 o  244.104   9.7043  164.675   12.561  145.788   19.014  179.302   16.732  231.294   15.213  256.915   12.052 -25.62082 19.40861 
1 1 1    2   19   32 o  346.386   9.1003  326.482   16.962  288.288   23.657  366.892   24.334  325.423   13.453  367.350   12.259 -41.92755 18.20054 
1 1 1    2   19   33 o  266.840   9.4409  198.769   13.251  166.216   20.107  223.761   17.618  246.748   15.080  286.933   11.363 -40.18529 18.88173 
1 1 1    2   19   34 o  190.416   8.8395   94.336   8.8662   71.498   11.332  130.383   14.237  161.975   12.947  218.858   12.038 -56.88300 17.67896 
1 1 1    2   19   35 o  444.716   9.4616  537.253   22.737   0.0000   0.0000  537.253   22.737  ?   ?   444.716   9.4616      ?      ? 
1 1 1    2   19   36 o  445.678   6.8051  539.445   16.380  515.239   22.852  565.021   23.490  435.379   9.7135  455.978   9.5334 -20.59836 13.61023 
1 1 1    2   19   37 o  311.453   8.4029  263.343   14.142   0.0000   0.0000  263.343   14.142  ?   ?   311.453   8.4029      ?      ? 
1 1 1    2   19   38 o  302.510   6.1798  249.250   10.079  238.517   14.543  259.172   13.982  296.156   9.0872  308.863   8.3774 -12.70712 12.35953 
1 1 1    2   19   39 o  212.287   6.8647  123.645   7.7875  116.334   11.717  129.430   10.423  206.474   10.501  218.100   8.8439 -11.62570 13.72933 
1 1 1    2   19   40 o   47.989   13.980   1.8605   6.0383  -2.9374   9.2771   5.3872   7.9538   43.780   19.481   52.197   20.056 -8.417057 27.95997 
1 1 1    2   19   41 o  287.149   6.2244  225.139   9.6257  216.618   14.036  232.703   13.226  281.897   9.2145  292.402   8.3705 -10.50482 12.44873 
1 1 1    2   19   42 o   71.650   14.645   14.550   5.8291   16.770   9.6397   13.271   7.3188   75.669   22.157   67.630   19.156 8.038849 29.28950 
1 1 1    2   19   43 o  172.478   9.6465   81.394   8.9907   0.0000   0.0000   81.394   8.9907  ?   ?   172.478   9.6465      ?      ? 
1 1 1    2   19   44 o  109.224   11.363   36.534   5.9811   24.683   9.4763   44.382   7.7110   91.445   19.755  127.003   11.236 -35.55721 22.72652 
1 1 1    2   19   45 o  105.967   10.545   30.538   5.9390   36.749   9.5064   26.562   7.6059  114.432   15.374   97.502   14.436 16.92984 21.08917 
1 1 1    2   19   46 o   81.267   13.825   20.149   5.9447   17.533   9.4189   21.881   7.6641   76.135   21.789   86.400   17.021 -10.26522 27.64962 
1 1 1    2   19   47 o  181.674   7.3112   92.847   7.0184   79.702   10.597  103.121   9.3678  169.518   11.568  193.831   8.9439 -24.31367 14.62235 
1 1 1    2   19   48 o  174.438   7.5330   83.529   7.0071   88.832   10.959   79.862   9.1135  178.793   11.343  170.083   9.9160 8.710388 15.06598 
1 1 1    2   19   49 o  243.412   6.5212  163.833   8.5057  158.255   12.754  168.301   11.415  239.329   9.8618  247.496   8.5353 -8.167236 13.04249 
1 1 1    2   19   50 o   59.119   14.538   8.5047   5.8151   15.618   9.3123   3.9578   7.4451   71.007   22.000   47.231   19.011 23.77682 29.07583 
1 1 1    2   19   51 o  145.204   12.239   60.311   8.9936   57.586   10.872   66.216   16.007  142.011   14.168  148.398   19.961 -6.387543 24.47800 
1 1 1    2   19   52 o  223.774   11.048  145.305   13.343  149.730   18.639  140.653   19.110  227.730   15.147  219.818   16.088 7.913025 22.09647 
1 1 1    2   19   53 o  152.820   18.940   70.248   15.641   0.0000   0.0000   70.248   15.641  ?   ?   152.820   18.940      ?      ? 
1 1 1    2   19   54 o   54.846   16.222   4.9106   8.3883  -4.5901   14.288   9.9077   10.362   49.897   22.971   59.794   22.912 -9.896118 32.44410 
1 1 1    2   19   55 o  106.429   12.997   36.938   6.8877   27.132   10.726   43.819   8.9851   90.031   22.189  122.827   13.538 -32.79553 25.99308 
1 1 1    2   19   56 o   75.481   15.573   19.193   6.6626   19.860   10.537   18.749   8.6000   75.709   23.393   75.252   20.564 0.4569092 31.14644 
1 1 1    2   19   58 o  157.253   9.0529   72.687   7.6329   79.724   11.707   67.484   10.067  163.275   13.269  151.231   12.318 12.04355 18.10574 
1 1 1    2   19   59 o   42.422   13.322  -6.6381   6.7739   9.6117   10.294 -19.0498   8.9964   55.910   22.406   28.934   14.416 26.97601 26.64328 
1 1 1    2   19   60 o   68.352   15.645   18.195   6.9274   12.722   10.419   22.532   9.2743   58.745   22.849   77.958   21.376 -19.21248 31.28913 
1 1 1    2   20    0 o  504.650   10.757  688.944   29.335   0.0000   0.0000  688.944   29.335  ?   ?   504.650   10.757      ?      ? 
1 1 1    2   20    1 o  538.378   7.6041  783.620   22.122   0.0000   0.0000  783.620   22.122  ?   ?   538.378   7.6041      ?      ? 
1 1 1    2   20    2 o  229.040   8.7847  141.857   10.872   0.0000   0.0000  141.857   10.872  ?   ?   229.040   8.7847      ?      ? 
1 1 1    2   20    3 o  204.526   7.2099  113.085   7.9683   0.0000   0.0000  113.085   7.9683  ?   ?   204.526   7.2099      ?      ? 
1 1 1    2   20    4 o  396.542   6.6199  425.062   14.185   0.0000   0.0000  425.062   14.185  ?   ?   396.542   6.6199      ?      ? 
1 1 1    2   20    5 o  719.407   9.2866  1399.71   36.101   0.0000   0.0000  1399.71   36.101  ?   ?   719.407   9.2866      ?      ? 
1 1 1    2   20    6 o  291.496   8.1670  229.755   12.864   0.0000   0.0000  229.755   12.864  ?   ?   291.496   8.1670      ?      ? 
1 1 1    2   20    7 o  404.103   7.6399  437.756   15.579  453.153   27.718  430.647   18.835  409.151   12.537  399.055   8.7346 10.09628 15.27976 
1 1 1    2   20    8 o  587.432   9.6163  930.684   28.642  945.270   50.259  923.669   34.855  590.602   15.748  584.262   11.040 6.340332 19.23262 
1 1 1    2   20    9 o   84.325   16.055   20.161   7.5471   16.356   11.171   23.356   10.236   77.730   24.098   90.920   21.222 -13.19000 32.11058 
1 1 1    2   20   10 o  508.140   7.4570  697.721   20.463  672.317   28.359  725.313   29.556  498.504   10.528  517.777   10.564 -19.27255 14.91391 
1 1 1    2   20   12 f  457.518   7.1719  566.166   17.727  569.907   25.382  562.604   24.768  458.988   10.234  456.048   10.050 2.940063 14.34381 
1 1 1    2   20   14 o  857.290   15.325  1991.76   70.995   0.0000   0.0000  1991.76   70.995  ?   ?   857.290   15.325      ?      ? 
1 1 1    2   20   17 o  418.823   7.1242  474.436   16.118  458.082   22.590  491.398   23.005  411.468   10.160  426.178   9.9896 -14.71039 14.24836 
1 1 1    2   20   18 o  408.640   7.0194  451.816   15.500  454.364   21.885  449.251   21.955  409.798   9.8828  407.481   9.9709 2.317322 14.03884 
1 1 1    2   20   21 o  398.185   6.8639  429.021   14.767  420.806   20.724  437.494   21.048  394.312   9.7262  402.057   9.6878 -7.745667 13.72778 
1 1 1    2   20   22 o  586.494   8.1430  929.951   25.782  891.226   35.538  972.982   37.462  573.634   11.465  599.354   11.567 -25.72064 16.28602 
1 1 1    2   20   23 o  716.095   18.697  1395.72   72.350   0.0000   0.0000  1395.72   72.350  ?   ?   716.095   18.697      ?      ? 
1 1 1    2   20   24 o  256.240   7.1897  176.836   9.9224  197.754   14.627  159.005   13.505  270.207   10.018  242.274   10.316 27.93279 14.37946 
1 1 1    2   20   25 o  497.293   8.9195  661.481   22.245  696.396   40.182  646.051   26.712  506.250   14.689  488.335   10.123 17.91571 17.83901 
1 1 1    2   20   27 o  277.114   9.3450  208.019   13.994   0.0000   0.0000  208.019   13.994  ?   ?   277.114   9.3450      ?      ? 
1 1 1    2   20   28 f  424.176   9.9447  488.868   22.741  444.369   31.630  536.487   32.720  404.129   14.484  444.223   13.631 -40.09390 19.88939 
1 1 1    2   20   29 o  206.555   11.174  117.852   12.202  108.446   18.902  124.572   15.977  199.169   17.563  213.941   13.820 -14.77255 22.34849 
1 1 1    2   20   30 o  184.575   11.837   94.853   11.413   85.766   18.157  100.788   14.675  176.820   19.003  192.331   14.120 -15.51128 23.67491 
1 1 1    2   20   31 o  489.042   8.7324  644.262   21.896  630.650   26.870  671.171   37.778  481.946   10.318  496.138   14.091 -14.19147 17.46485 
1 1 1    2   20   32 o  199.103   7.3626  107.155   7.8933  114.136   11.781  101.467   10.633  204.933   10.638  193.273   10.181 11.66006 14.72517 
1 1 1    2   20   33 o  165.690   8.5372   75.566   7.5607   68.130   11.183   81.827   10.261  157.979   13.100  173.401   10.951 -15.42171 17.07444 
1 1 1    2   20   34 o   82.560   14.860   18.760   6.7964   27.642   10.416   12.175   8.9686   98.153   20.309   66.968   21.699 31.18504 29.72029 
1 1 1    2   20   35 o  315.305   6.3408  270.417   10.784  252.314   15.279  288.385   15.222  304.716   9.2793  325.893   8.6438 -21.17749 12.68152 
1 1 1    2   20   36 o  124.926   9.9790   42.914   6.6609   42.079   10.153   43.544   8.8260  123.709   15.188  126.144   12.948 -2.434036 19.95804 
1 1 1    2   20   37 o  112.476   11.690   37.617   6.4757   24.566   9.6479   48.317   8.7359   92.090   19.964  132.863   12.168 -40.77277 23.37959 
1 1 1    2   20   38 o  154.817   8.2674   64.894   6.8427   70.335   10.629   61.043   8.9419  160.196   12.279  149.438   11.073 10.75864 16.53478 
1 1 1    2   20   39 o  222.518   6.8223  135.233   8.1580  133.229   12.142  136.883   11.015  220.896   10.172  224.140   9.0941 -3.244186 13.64465 
1 1 1    2   20   40 o  124.402   12.939   42.613   8.6982   0.0000   0.0000   42.613   8.6982  ?   ?   124.402   12.939      ?      ? 
1 1 1    2   20   41 o  112.992   10.487   35.042   6.2924   37.909   10.011   33.170   8.0901  116.526   15.900  109.459   13.678 7.066704 20.97327 
1 1 1    2   20   42 o  223.820   6.6998  138.234   8.0239  126.076   11.863  148.488   10.894  214.435   10.238  233.204   8.6449 -18.76900 13.39954 
1 1 1    2   20   43 o  146.588   8.4078   59.632   6.5276   57.627   10.201   61.022   8.4944  144.159   13.095  149.017   10.549 -4.858398 16.81566 
1 1 1    2   20   44 o   76.799   14.340   17.350   5.9669   20.024   9.3562   15.516   7.7468   81.449   21.091   72.150   19.435 9.299110 28.68009 
1 1 1    2   20   45 o   50.097   14.135   4.4825   5.7401   3.4132   8.8743   5.2516   7.5266   49.945   20.511   50.249   19.454 -0.3040237 28.26985 
1 1 1    2   20   46 o  117.379   10.013   38.287   6.1999   41.175   10.050   36.514   7.8774  120.454   15.441  114.305   12.753 6.149254 20.02672 
1 1 1    2   20   47 o   60.874   14.423   8.0266   5.7327   18.424   9.8246   2.6591   7.0591   77.194   22.301   44.554   18.295 32.64018 28.84516 
1 1 1    2   20   48 o   49.651   14.287   3.9068   5.8736   5.5189   9.5171   2.9150   7.4649   53.581   21.519   45.721   18.799 7.859764 28.57388 
1 1 1    2   20   49 o  254.483   8.7013  178.201   11.226  171.155   13.584  193.378   19.937  248.315   10.124  260.651   14.155 -12.33536 17.40261 
1 1 1    2   20   50 o   97.141   17.154   29.623   9.6849   14.563   12.900   49.077   14.662   69.674   25.807  124.608   22.607 -54.93394 34.30882 
1 1 1    2   20   51 o  183.991   11.488   96.250   11.282   82.297   14.667  116.464   17.654  168.142   16.143  199.839   16.349 -31.69685 22.97562 
1 1 1    2   20   52 o   53.637   16.788   0.1879   9.8593   5.6441   13.078  -6.9955   15.006   57.625   24.371   49.650   23.095 7.974506 33.57551 
1 1 1    2   20   53 o  169.461   12.176   86.937   8.7507   82.838   19.301   87.997   9.8176  161.714   22.088  177.209   10.253 -15.49545 24.35119 
1 1 1    2   20   54 o  123.059   13.545   44.165   9.0071   0.0000   0.0000   44.165   9.0071  ?   ?   123.059   13.545      ?      ? 
1 1 1    2   20   55 o   53.122   15.011   2.1373   7.4999   15.860   10.989  -9.8288   10.261   68.501   24.018   37.742   18.015 30.75913 30.02291 
1 1 1    2   20   56 o   75.163   15.799   18.491   6.7859   22.898   10.826   15.639   8.7092   81.552   23.367   68.775   21.270 12.77682 31.59797 
1 1 1    2   20   57 o   46.212   14.033   2.8700   6.7048  -4.3904   10.147   8.4971   8.9328   39.877   18.693   52.547   20.936 -12.67057 28.06643 
1 1 1    2   20   58 o  166.734   8.6584   81.753   7.7623   79.627   11.446   83.563   10.562  163.975   12.918  169.494   11.532 -5.519379 17.31677 
1 1 1    2   20   59 o   61.343   14.272   12.561   6.9086  -1.8943   10.364   24.119   9.2677   41.710   19.330   80.976   21.002 -39.26642 28.54360 
1 1 1    2   21    0 o  532.211   11.310  766.452   32.526   0.0000   0.0000  766.452   32.526  ?   ?   532.211   11.310      ?      ? 
1 1 1    2   21    1 o  446.127   7.1202  538.067   17.165   0.0000   0.0000  538.067   17.165  ?   ?   446.127   7.1202      ?      ? 
1 1 1    2   21    2 f  236.532   7.2991  151.257   9.3293   0.0000   0.0000  151.257   9.3293  ?   ?   236.532   7.2991      ?      ? 
1 1 1    2   21    3 o  487.290   7.4157  641.975   19.527   0.0000   0.0000  641.975   19.527  ?   ?   487.290   7.4157      ?      ? 
1 1 1    2   21    4 f  458.421   7.1662  568.139   17.752   0.0000   0.0000  568.139   17.752  ?   ?   458.421   7.1662      ?      ? 
1 1 1    2   21    5 o  685.950   9.0973  1272.56   33.720   0.0000   0.0000  1272.56   33.720  ?   ?   685.950   9.0973      ?      ? 
1 1 1    2   21    6 o  436.906   10.539  516.453   24.881   0.0000   0.0000  516.453   24.881  ?   ?   436.906   10.539      ?      ? 
1 1 1    2   21    7 o  149.124   9.3652   60.150   7.5466   0.0000   0.0000   60.150   7.5466  ?   ?   149.124   9.3652      ?      ? 
1 1 1    2   21    8 f  331.228   7.4653  301.114   12.765  281.982   21.129  312.109   16.018  322.747   12.115  339.709   8.7260 -16.96164 14.93064 
1 1 1    2   21    9 o  189.146   9.4713  101.199   8.7879   86.239   15.596  108.159   10.638  178.343   16.183  199.949   9.8454 -21.60616 18.94264 
1 1 1    2   21   10 o  300.788   6.8797  244.883   11.163  227.137   15.697  263.042   15.879  289.745   10.026  311.831   9.4237 -22.08609 13.75949 
1 1 1    2   21   11 o   84.994   23.417   20.268   11.099   0.0000   0.0000   20.268   11.099  ?   ?    84.994   23.417      ?      ? 
1 1 1    2   21   12 o  237.798   11.334  153.051   14.564  153.051   14.564   0.0000   0.0000  237.798   11.334  ?   ?       ?      ? 
1 1 1    2   21   13 o  233.889   7.8343  145.658   9.7864  181.276   14.831  118.186   13.025  258.823   10.604  208.955   11.535 49.86765 15.66859 
1 1 1    2   21   15 o  539.711   7.8159  788.115   22.788  767.107   31.785  810.334   32.687  532.315   11.050  547.107   11.057 -14.79211 15.63173 
1 1 1    2   21   17 o  242.426   7.4964  158.776   9.8094  166.827   14.279  151.579   13.499  248.232   10.645  236.620   10.558 11.61192 14.99274 
1 1 1    2   21   18 o  230.124   7.6954  143.113   9.5271  146.220   14.222  140.584   12.831  232.364   11.327  227.883   10.420 4.481262 15.39087 
1 1 1    2   21   19 o  684.120   12.747  1268.47   47.122   0.0000   0.0000  1268.47   47.122  ?   ?   684.120   12.747      ?      ? 
1 1 1    2   21   20 o  485.340   10.277  637.912   26.953   0.0000   0.0000  637.912   26.953  ?   ?   485.340   10.277      ?      ? 
1 1 1    2   21   22 o  254.743   14.165  176.261   19.498   0.0000   0.0000  176.261   19.498  ?   ?   254.743   14.165      ?      ? 
1 1 1    2   21   23 o  448.302   10.036  544.502   24.311   0.0000   0.0000  544.502   24.311  ?   ?   448.302   10.036      ?      ? 
1 1 1    2   21   24 o  368.977   9.5642  368.821   19.069   0.0000   0.0000  368.821   19.069  ?   ?   368.977   9.5642      ?      ? 
1 1 1    2   21   25 o  364.559   10.498  362.527   20.318  279.054   28.046  454.730   29.476  320.032   16.218  409.086   13.334 -89.05383 20.99579 
1 1 1    2   21   26 o  182.680   13.415   96.188   12.517   71.509   19.497  113.491   16.326  161.222   22.380  204.139   14.800 -42.91679 26.83090 
1 1 1    2   21   27 o  191.180   12.182   98.471   12.349  107.365   19.783   92.793   15.806  197.976   18.492  184.384   15.864 13.59163 24.36448 
1 1 1    2   21   28 o  191.206   9.5176   98.648   9.5611   95.781   12.095  103.423   15.611  187.699   11.925  194.713   14.837 -7.014313 19.03525 
1 1 1    2   21   29 o  235.599   7.0975  150.547   9.0282  154.029   13.093  147.392   12.465  238.178   10.173  233.020   9.8996 5.157730 14.19504 
1 1 1    2   21   30 o  138.477   9.7071   52.341   7.2604   54.332   10.298   50.374   10.238  141.118   13.505  135.836   13.948 5.281509 19.41425 
1 1 1    2   21   32 o   50.276   14.740   1.3540   6.6400   5.1849   9.8473  -1.8400   8.9917   55.992   22.084   44.561   19.528 11.43128 29.47973 
1 1 1    2   21   33 o  685.019   9.0384  1279.24   33.418  1230.33   45.924  1334.29   48.720  671.200   12.662  698.838   12.901 -27.63837 18.07686 
1 1 1    2   21   34 f   66.082   15.913   11.383   6.8040   12.926   9.9513   10.029   9.3240   69.118   22.881   63.046   22.123 6.071285 31.82688 
1 1 1    2   21   35 o  154.092   8.9311   65.792   7.3485   56.847   10.698   73.782   10.111  143.863   13.762  164.321   11.387 -20.45804 17.86217 
1 1 1    2   21   36 f  109.325   11.756   33.056   6.9116   33.976   10.347   32.315   9.2875  110.576   17.317  108.074   15.903 2.501244 23.51174 
1 1 1    2   21   37 o  200.060   7.4033  110.478   7.8957   90.868   11.258  129.464   11.077  182.191   11.435  217.928   9.4064 -35.73647 14.80657 
1 1 1    2   21   38 o  230.544   6.8976  145.724   8.5554  135.808   12.398  154.737   11.821  222.890   10.294  238.199   9.1836 -15.30969 13.79518 
1 1 1    2   21   39 o  295.343   8.5755  237.901   13.686   0.0000   0.0000  237.901   13.686  ?   ?   295.343   8.5755      ?      ? 
1 1 1    2   21   40 o   74.335   14.961   15.833   6.2991   20.183   9.6688   12.626   8.3028   82.321   21.501   66.349   20.809 15.97189 29.92194 
1 1 1    2   21   41 o   82.113   13.565   20.562   6.3211   10.413   9.4533   28.769   8.5012   62.834   22.254  101.393   15.516 -38.55856 27.12907 
1 1 1    2   21   42 o  168.521   7.7965   79.348   6.9912   70.140   10.432   86.857   9.4198  159.172   12.128  177.871   9.8005 -18.69867 15.59302 
1 1 1    2   21   43 o   93.251   13.094   25.723   6.3694   23.479   9.8158   27.355   8.3711   88.115   20.926   98.387   15.746 -10.27242 26.18850 
1 1 1    2   21   44 o  192.535   7.4294  103.707   7.6136   91.704   11.347  113.535   10.268  181.836   11.548  203.233   9.3498 -21.39638 14.85877 
1 1 1    2   21   45 o  186.549   7.4150   95.729   7.3626   99.656   11.541   93.034   9.5608  189.409   11.276  183.689   9.6322 5.720612 14.82991 
1 1 1    2   21   46 o  127.081   9.6673   44.972   6.4958   48.115   10.447   42.991   8.2938  130.186   14.851  123.976   12.380 6.210907 19.33454 
1 1 1    2   21   47 o   54.682   16.133   4.4813   7.8707   6.7318   9.8019   0.3966   13.206   55.671   22.009   53.692   23.594 1.978409 32.26602 
1 1 1    2   21   48 o   83.338   18.720   22.458   9.4040   19.077   12.329   27.162   14.541   76.983   25.468   89.692   27.442 -12.70903 37.43930 
1 1 1    2   21   49 o   51.194   16.056  -1.8281   9.2027   5.2477   12.482 -10.2545   13.621   56.951   23.933   45.436   21.411 11.51521 32.11245 
1 1 1    2   21   50 o   64.051   18.088   10.365   9.4263   12.176   12.050   7.5090   15.131   65.432   24.794   62.669   26.344 2.763229 36.17662 
1 1 1    2   21   51 o  166.959   8.5377   79.389   7.5228   77.734   11.897   80.491   9.7105  164.591   13.377  169.327   10.613 -4.735275 17.07537 
1 1 1    2   21   52 o   67.179   15.184   14.670   6.5165   9.2453   9.9529   18.740   8.6214   58.161   22.412   76.197   20.493 -18.03631 30.36888 
1 1 1    2   21   53 o   85.326   13.792   25.865   6.6253   12.980   10.575   34.190   8.5003   63.216   23.376  107.436   14.642 -44.21969 27.58316 
1 1 1    2   21   54 o   48.437   15.631  -0.5017   7.7169  -3.3063   16.863   0.2413   8.6790   53.578   24.768   43.296   19.074 10.28249 31.26147 
1 1 1    2   21   55 o   42.926   13.859  -2.9329   7.1918  -0.3794   10.175  -5.4820   10.166   45.250   20.249   40.603   18.927 4.647190 27.71724 
1 1 1    2   21   56 o   49.299   14.691   3.1401   7.4729   13.542   10.392  -7.9977   10.754   60.382   22.991   38.215   18.295 22.16726 29.38188 
1 1 1    2   21   57 o   64.025   15.835   14.771   6.9132   11.289   10.478   17.455   9.1995   58.442   22.863   69.609   21.916 -11.16705 31.67049 
1 1 1    2   21   58 o   83.504   15.251   26.505   6.9331   24.349   10.794   28.019   9.0458   77.678   23.618   89.330   19.303 -11.65222 30.50272 
1 1 1    2   22    0 o  221.886   9.1643  133.173   10.988   0.0000   0.0000  133.173   10.988  ?   ?   221.886   9.1643      ?      ? 
1 1 1    2   22    1 o  239.333   7.9519  154.896   10.284   0.0000   0.0000  154.896   10.284  ?   ?   239.333   7.9519      ?      ? 
1 1 1    2   22    2 o  491.817   11.246  654.661   29.888   0.0000   0.0000  654.661   29.888  ?   ?   491.817   11.246      ?      ? 
1 1 1    2   22    3 o  554.060   8.0286  830.146   24.037   0.0000   0.0000  830.146   24.037  ?   ?   554.060   8.0286      ?      ? 
1 1 1    2   22    4 o  906.008   15.933  2225.56   78.003   0.0000   0.0000  2225.56   78.003  ?   ?   906.008   15.933      ?      ? 
1 1 1    2   22    5 o  529.884   7.8195  759.257   22.390   0.0000   0.0000  759.257   22.390  ?   ?   529.884   7.8195      ?      ? 
1 1 1    2   22    6 f  577.994   8.1818  903.474   25.554   0.0000   0.0000  903.474   25.554  ?   ?   577.994   8.1818      ?      ? 
1 1 1    2   22    7 o  352.181   6.8770  335.343   13.087   0.0000   0.0000  335.343   13.087  ?   ?   352.181   6.8770      ?      ? 
1 1 1    2   22    8 o  534.033   9.1842  767.724   24.833  786.261   43.782  758.933   30.152  538.521   15.045  529.546   10.537 8.975220 18.36842 
1 1 1    2   22    9 o  741.242   11.620  1491.95   43.887  1488.29   75.913  1493.79   53.786  740.015   18.984  742.470   13.406 -2.455078 23.24056 
1 1 1    2   22   10 o  362.768   7.3473  360.082   12.810  347.748   24.362  364.795   15.060  358.271   12.584  367.266   7.5883 -8.994781 14.69467 
1 1 1    2   22   12 o  454.732   10.138  559.733   24.911   0.0000   0.0000  559.733   24.911  ?   ?   454.732   10.138      ?      ? 
1 1 1    2   22   13 o  581.060   11.441  914.380   35.924   0.0000   0.0000  914.380   35.924  ?   ?   581.060   11.441      ?      ? 
1 1 1    2   22   14 o  528.945   7.7353  757.552   22.108  745.395   31.140  769.907   31.392  524.662   10.984  533.228   10.895 -8.566406 15.47052 
1 1 1    2   22   15 o  283.441   7.1268  217.544   10.913  213.474   15.480  221.564   15.388  280.799   10.202  286.084   9.9538 -5.285400 14.25356 
1 1 1    2   22   17 o  128.592   11.793   44.943   8.1905   46.300   11.812   43.686   11.367  130.456   16.756  126.727   16.600 3.728798 23.58611 
1 1 1    2   22   18 o  402.608   6.9965  439.096   15.220  431.867   21.521  446.328   21.527  399.285   9.9747  405.932   9.8137 -6.646973 13.99304 
1 1 1    2   22   19 o  402.246   6.9448  437.872   15.083  413.415   21.005  463.904   21.671  390.649   9.9507  413.844   9.6905 -23.19577 13.88968 
1 1 1    2   22   20 o  284.484   9.8006  232.721   13.492  189.482   24.141  252.363   16.271  263.763   16.937  305.205   9.8657 -41.44189 19.60123 
1 1 1    2   22   21 o  270.473   16.630  199.279   24.306  199.279   24.306   0.0000   0.0000  270.473   16.630  ?   ?       ?      ? 
1 1 1    2   22   22 o  445.566   10.955  531.952   26.162  468.919   34.491  617.342   40.145  415.007   15.380  476.125   15.603 -61.11819 21.90941 
1 1 1    2   22   23 o  416.428   13.942  471.847   31.372   0.0000   0.0000  471.847   31.372  ?   ?   416.428   13.942      ?      ? 
1 1 1    2   22   24 o  388.796   10.516  409.232   21.855  331.757   29.687  500.901   32.292  348.683   15.756  428.908   13.933 -80.22461 21.03263 
1 1 1    2   22   25 o  405.481   9.7547  446.041   21.373   0.0000   0.0000  446.041   21.373  ?   ?   405.481   9.7547      ?      ? 
1 1 1    2   22   26 o  133.673   10.943   48.671   7.7588   62.229   11.409   37.004   10.583  151.080   13.974  116.267   16.845 34.81383 21.88700 
1 1 1    2   22   27 o  310.401   9.2786  261.460   15.563   0.0000   0.0000  261.460   15.563  ?   ?   310.401   9.2786      ?      ? 
1 1 1    2   22   28 o  137.815   10.169   51.858   7.5637   55.527   10.903   48.453   10.502  142.534   14.156  133.096   14.602 9.438034 20.33734 
1 1 1    2   22   29 f  289.030   6.6281  227.089   10.338  212.672   14.564  241.730   14.677  279.734   9.6349  298.327   9.1046 -18.59280 13.25612 
1 1 1    2   22   30 o  164.052   12.025   73.391   10.660   0.0000   0.0000   73.391   10.660  ?   ?   164.052   12.025      ?      ? 
1 1 1    2   22   31 o  322.253   6.5622  281.397   11.405  258.484   15.688  307.078   16.609  308.355   9.4150  336.151   9.1436 -27.79584 13.12434 
1 1 1    2   22   32 o  353.557   6.5115  340.064   12.432  324.089   17.513  356.289   17.649  345.139   9.3903  361.975   9.0233 -16.83563 13.02295 
1 1 1    2   22   33 o  145.411   9.3698   58.123   7.3284   56.897   10.830   59.159   9.9531  143.876   13.930  146.946   12.535 -3.070160 18.73955 
1 1 1    2   22   34 o  265.634   6.8786  193.867   9.7885  168.410   14.049  217.881   13.646  248.368   10.468  282.901   8.9262 -34.53369 13.75718 
1 1 1    2   22   35 o  161.122   8.6418   71.798   7.4524   65.432   11.000   77.199   10.132  154.265   13.196  167.978   11.162 -13.71315 17.28367 
1 1 1    2   22   36 o  177.557   8.2136   87.227   7.7863   80.417   11.667   92.697   10.455  171.014   12.625  184.100   10.510 -13.08617 16.42716 
1 1 1    2   22   37 o  251.573   9.2048  172.845   12.513   0.0000   0.0000  172.845   12.513  ?   ?   251.573   9.2048      ?      ? 
1 1 1    2   22   38 o  168.633   8.2935   79.216   7.4626   68.026   10.859   89.230   10.273  156.911   12.807  180.355   10.541 -23.44363 16.58691 
1 1 1    2   22   39 o  207.233   7.3143  118.597   8.0961  112.324   12.226  123.496   10.805  202.046   11.198  212.419   9.4133 -10.37358 14.62866 
1 1 1    2   22   40 o  208.202   7.2036  117.973   8.0611  130.301   12.195  108.406   10.743  217.710   10.366  198.694   10.006 19.01555 14.40728 
1 1 1    2   22   41 o  137.157   9.3146   52.057   6.8119   54.773   10.634   50.166   8.8711  139.872   14.069  134.441   12.211 5.430862 18.62918 
1 1 1    2   22   42 o  278.804   8.8153  213.168   13.281   0.0000   0.0000  213.168   13.281  ?   ?   278.804   8.8153      ?      ? 
1 1 1    2   22   43 o  171.750   7.9367   80.580   7.2876   90.782   11.359   73.442   9.5008  180.673   11.635  162.827   10.798 17.84677 15.87335 
1 1 1    2   22   44 o  182.224   10.232   89.703   9.5381   81.518   11.536  107.387   16.957  170.721   12.505  193.727   16.198 -23.00566 20.46339 
1 1 1    2   22   45 o  104.756   17.449   35.445   9.6821   37.658   12.877   32.568   14.685  109.995   22.426   99.517   26.737 10.47846 34.89707 
1 1 1    2   22   46 o   84.675   17.220   19.580   9.3011   5.6441   11.981   40.721   14.756   57.211   23.697  112.140   24.991 -54.92986 34.43954 
1 1 1    2   22   47 f   42.232   14.191 -13.1431   9.0046  -5.9910   12.261 -21.5180   13.268   45.897   21.183   38.566   18.889 7.331238 28.38159 
1 1 1    2   22   48 o  195.401   8.7721  103.239   8.6907  121.599   15.689   95.111   10.438  206.158   14.083  184.644   10.462 21.51390 17.54411 
1 1 1    2   22   49 o  214.958   7.2697  129.281   8.3375  128.053   12.800  130.185   10.988  213.483   11.096  216.433   9.3954 -2.949554 14.53941 
1 1 1    2   22   50 o  125.995   11.344   49.987   6.9182   33.974   10.638   61.722   9.1070  104.185   19.616  147.806   11.402 -43.62114 22.68894 
1 1 1    2   22   51 o  225.169   7.1182  143.874   8.5678  131.101   12.689  154.577   11.615  215.118   10.916  235.221   9.1381 -20.10312 14.23634 
1 1 1    2   22   52 o  142.408   10.372   62.943   7.4737   44.044   11.329   77.504   9.9444  119.891   17.487  164.926   11.158 -45.03479 20.74408 
1 1 1    2   22   53 o  118.874   11.627   42.687   7.3564   39.906   11.126   44.846   9.8058  114.220   18.026  123.529   14.690 -9.308945 23.25374 
1 1 1    2   22   54 o   77.077   17.920   21.766   7.9333   23.829   16.819   21.175   8.9971   75.686   29.143   78.468   20.860 -2.782242 35.83925 
1 1 1    2   22   55 o  247.262   9.9317  191.395   11.604  170.495   21.610  199.861   13.755  230.188   17.373  264.336   9.6295 -34.14886 19.86341 
1 1 1    2   22   56 o   46.848   14.697   2.4582   7.3885   1.2917   10.037   3.8378   10.916   44.939   20.110   48.757   21.438 -3.818138 29.39388 
1 1 1    2   23    0 o  503.529   7.6265  685.749   20.751   0.0000   0.0000  685.749   20.751  ?   ?   503.529   7.6265      ?      ? 
1 1 1    2   23    1 o  258.786   9.4604  181.236   13.229   0.0000   0.0000  181.236   13.229  ?   ?   258.786   9.4604      ?      ? 
1 1 1    2   23    2 o  115.296   13.563   36.036   8.4502   0.0000   0.0000   36.036   8.4502  ?   ?   115.296   13.563      ?      ? 
1 1 1    2   23    3 o  150.229   10.561   61.100   8.5730   0.0000   0.0000   61.100   8.5730  ?   ?   150.229   10.561      ?      ? 
1 1 1    2   23    4 o  255.423   8.1651  176.481   11.270   0.0000   0.0000  176.481   11.270  ?   ?   255.423   8.1651      ?      ? 
1 1 1    2   23    5 o  406.375   7.1550  446.597   15.712   0.0000   0.0000  446.597   15.712  ?   ?   406.375   7.1550      ?      ? 
1 1 1    2   23    6 o  280.806   8.1469  213.303   12.362   0.0000   0.0000  213.303   12.362  ?   ?   280.806   8.1469      ?      ? 
1 1 1    2   23    7 o  390.532   9.1128  412.709   19.231   0.0000   0.0000  412.709   19.231  ?   ?   390.532   9.1128      ?      ? 
1 1 1    2   23    8 o  461.257   8.2807  575.599   20.639   0.0000   0.0000  575.599   20.639  ?   ?   461.257   8.2807      ?      ? 
1 1 1    2   23    9 o  307.460   8.4192  252.259   12.963  139.910   17.029  407.086   19.991  227.115   13.876  387.804   9.5395 -160.6890 16.83847 
1 1 1    2   23   10 o  289.911   7.3193  227.769   10.438  227.252   19.265  227.984   12.418  289.536   12.313  290.285   7.9167 -0.7481689 14.63861 
1 1 1    2   23   11 o  269.298   8.4861  201.861   11.893  174.437   18.826  220.076   15.343  253.527   13.742  285.069   9.9602 -31.54156 16.97213 
1 1 1    2   23   15 o  395.788   9.4535  426.125   18.166  423.423   34.218  427.186   21.436  394.487   16.052  397.089   9.9901 -2.601288 18.90693 
1 1 1    2   23   16 o  179.380   16.065   89.949   15.160   79.189   23.446   97.680   19.873  169.632   25.578  189.128   19.446 -19.49590 32.13094 
1 1 1    2   23   17 o  272.924   11.662  203.794   17.084  193.716   25.290  212.252   23.170  266.543   17.559  279.304   15.352 -12.76071 23.32362 
1 1 1    2   23   18 o  292.218   11.146  234.378   17.442  214.865   25.758  250.901   23.703  280.712   16.981  303.724   14.442 -23.01172 22.29221 
1 1 1    2   23   19 o  229.914   12.590  144.865   15.474  141.126   23.503  147.725   20.559  227.089   19.153  232.740   16.347 -5.650772 25.18049 
1 1 1    2   23   21 o  143.337   12.682   52.390   9.4445   42.727   11.574   71.644   16.338  124.998   17.136  161.676   18.701 -36.67818 25.36475 
1 1 1    2   23   22 o  324.196   7.9676  284.192   13.380  290.315   22.481  280.834   16.650  326.638   12.737  321.754   9.5762 4.883820 15.93521 
1 1 1    2   23   23 o  124.450   11.805   42.327   7.9255   39.018   10.996   45.905   11.433  119.361   17.049  129.539   16.334 -10.17741 23.61026 
1 1 1    2   23   24 o  105.789   13.873   31.545   7.7249   34.264   10.684   28.567   11.183  111.725   17.697   99.853   21.370 11.87106 27.74632 
1 1 1    2   23   25 o  148.223   10.002   60.176   7.9381   70.732   11.390   50.207   11.069  161.013   13.091  135.434   15.125 25.57852 20.00372 
1 1 1    2   23   26 o  310.099   9.3983  261.261   15.748   0.0000   0.0000  261.261   15.748  ?   ?   310.099   9.3983      ?      ? 
1 1 1    2   23   28 o  229.429   7.3077  143.218   9.0578  139.139   12.739  147.387   12.881  226.111   10.426  232.746   10.242 -6.634796 14.61545 
1 1 1    2   23   29 o  536.297   10.761  783.788   31.185   0.0000   0.0000  783.788   31.185  ?   ?   536.297   10.761      ?      ? 
1 1 1    2   23   30 o   73.801   14.912   14.283   7.0021   25.635   10.140   3.9362   9.6808   94.048   20.529   53.553   21.635 40.49483 29.82450 
1 1 1    2   23   31 o   69.148   14.241   11.619   7.0651  -3.9486   10.424   24.844   9.6084   45.702   20.470   92.594   19.803 -46.89225 28.48107 
1 1 1    2   23   32 o  243.840   7.0474  162.109   9.2636  163.432   13.603  160.965   12.650  244.691   10.288  242.989   9.6343 1.701920 14.09481 
1 1 1    2   23   33 o   78.298   15.121   17.902   6.7041   13.412   9.5383   22.286   9.4246   69.265   22.371   87.331   20.349 -18.06565 30.24107 
1 1 1    2   23   34 o  172.820   11.113   81.829   10.378   0.0000   0.0000   81.829   10.378  ?   ?   172.820   11.113      ?      ? 
1 1 1    2   23   35 o  181.359   8.1760   90.078   7.9951   95.369   11.791   85.575   10.878  186.229   11.717  176.488   11.406 9.740646 16.35190 
1 1 1    2   23   36 o  186.209   7.8596   95.495   7.8887   91.163   11.388   99.491   10.938  182.006   11.579  190.411   10.631 -8.405197 15.71917 
1 1 1    2   23   37 o  118.431   10.730   39.078   6.8162   40.003   10.330   38.364   9.0716  119.452   16.003  117.410   14.298 2.041695 21.46050 
1 1 1    2   23   38 o   68.869   15.363   13.923   6.5783   9.3593   10.023   17.376   8.7190   61.470   22.752   76.268   20.649 -14.79824 30.72541 
1 1 1    2   23   39 o  213.818   7.4860  127.277   8.5596  112.702   12.518  140.077   11.731  201.832   11.477  225.804   9.6141 -23.97122 14.97203 
1 1 1    2   23   40 o  120.005   11.014   40.418   7.0554   42.610   10.968   38.871   9.2150  122.405   16.582  117.605   14.500 4.799911 22.02794 
1 1 1    2   23   41 o   63.852   17.855   9.2062   8.9654   10.054   11.300   7.7658   14.729   63.248   23.999   64.456   26.443 -1.208733 35.70973 
1 1 1    2   23   42 o  176.878   13.460   91.176   12.734  108.559   18.491   75.495   17.563  193.812   17.656  159.943   20.321 33.86839 26.91982 
1 1 1    2   23   43 o  126.812   17.911   51.189   11.841   52.635   16.981   49.820   16.520  128.593   25.338  125.031   25.320 3.561531 35.82104 
1 1 1    2   23   44 o  111.099   18.628   40.546   11.014   38.536   15.349   42.680   15.814  108.069   26.489  114.130   26.197 -6.060867 37.25515 
1 1 1    2   23   45 o  206.184   11.172  121.724   12.381  107.387   16.616  139.617   18.563  192.526   15.972  219.841   15.627 -27.31517 22.34470 
1 1 1    2   23   46 o   65.869   16.118   11.661   7.0874   19.995   11.371   6.3666   9.0631   78.257   24.322   53.481   21.157 24.77602 32.23600 
1 1 1    2   23   47 o  206.104   7.6761  119.883   8.4165  112.400   12.833  125.532   11.150  199.696   11.892  212.511   9.7093 -12.81566 15.35229 
1 1 1    2   23   48 o   93.702   13.281   25.133   6.6915   45.682   10.774   12.228   8.5379  124.598   16.002   62.805   21.201 61.79262 26.56187 
1 1 1    2   23   49 o  107.981   11.842   34.272   6.8603   38.967   10.491   30.765   9.0676  114.202   17.001  101.761   16.490 12.44054 23.68436 
1 1 1    2   23   50 o  130.426   10.342   49.759   7.2333   55.365   11.100   45.621   9.5364  136.391   15.060  124.462   14.179 11.92860 20.68493 
1 1 1    2   23   51 o   73.648   15.311   18.579   6.8283   12.138   10.391   23.475   9.0590   62.311   23.146   84.986   20.050 -22.67480 30.62250 
1 1 1    2   23   52 o  114.760   13.320   43.048   7.6202   29.345   11.286   54.528   10.330   93.041   22.659  136.479   14.007 -43.43815 26.63921 
1 1 1    2   23   53 o   50.869   14.765   5.7810   6.8192   13.052   10.019  -0.4943   9.3077   59.987   22.638   41.751   18.961 18.23628 29.52965 
1 1 1    2   23   54 o  172.915   8.7368   89.082   7.9792   70.204   11.416  107.110   11.157  152.998   13.809  192.832   10.707 -39.83418 17.47351 
1 1 1    2   23   55 o   66.690   17.025   19.029   8.4737   8.9392   17.033   22.347   9.7683   56.855   25.753   76.525   22.274 -19.66947 34.04948 
1 1 1    2   24    0 o  721.131   13.863  1411.94   54.019   0.0000   0.0000  1411.94   54.019  ?   ?   721.131   13.863      ?      ? 
1 1 1    2   24    1 o  290.048   8.2197  227.693   12.883   0.0000   0.0000  227.693   12.883  ?   ?   290.048   8.2197      ?      ? 
1 1 1    2   24    2 o  453.067   7.3167  555.371   17.913   0.0000   0.0000  555.371   17.913  ?   ?   453.067   7.3167      ?      ? 
1 1 1    2   24    3 o   86.280   17.785   21.013   8.0162   0.0000   0.0000   21.013   8.0162  ?   ?    86.280   17.785      ?      ? 
1 1 1    2   24    4 o  309.372   7.2206  258.948   12.071   0.0000   0.0000  258.948   12.071  ?   ?   309.372   7.2206      ?      ? 
1 1 1    2   24    5 o  452.900   11.335  556.072   27.740   0.0000   0.0000  556.072   27.740  ?   ?   452.900   11.335      ?      ? 
1 1 1    2   24    6 o  233.856   7.7924  147.997   9.8471   0.0000   0.0000  147.997   9.8471  ?   ?   233.856   7.7924      ?      ? 
1 1 1    2   24    7 o  165.161   9.5642   73.883   8.5358   0.0000   0.0000   73.883   8.5358  ?   ?   165.161   9.5642      ?      ? 
1 1 1    2   24    8 o  232.164   8.9479  145.947   11.225   0.0000   0.0000  145.947   11.225  ?   ?   232.164   8.9479      ?      ? 
1 1 1    2   24    9 o   39.306   17.883  -5.1580   8.3283   0.0000   0.0000  -5.1580   8.3283  ?   ?    39.306   17.883      ?      ? 
1 1 1    2   24   12 o  342.678   10.934  317.753   20.124  271.847   27.441  371.171   29.601  315.953   16.073  369.403   14.829 -53.45056 21.86864 
1 1 1    2   24   13 o  152.739   18.482   64.469   14.743   81.216   22.214   51.284   19.710  171.794   23.929  133.684   28.173 38.11009 36.96394 
1 1 1    2   24   14 o  295.545   11.748  239.678   18.423  184.932   25.630  298.198   26.499  260.129   18.234  330.961   14.817 -70.83200 23.49503 
1 1 1    2   24   15 o  160.192   19.468   77.786   15.394   53.266   24.325   94.167   19.882  135.046   33.496  185.337   19.852 -50.29099 38.93679 
1 1 1    2   24   16 o   92.893   19.132   18.440   9.5611   10.927   11.065   40.586   18.997   67.528   24.059  118.257   29.753 -50.72915 38.26312 
1 1 1    2   24   19 o  285.093   8.6668  225.777   12.828  240.041   16.352  202.950   20.686  297.354   10.177  272.831   14.031 24.52280 17.33353 
1 1 1    2   24   20 o  203.416   9.7699  115.367   10.284  122.688   13.056  103.401   16.691  212.415   11.374  194.418   15.888 17.99744 19.53971 
1 1 1    2   24   21 o  253.270   8.3569  174.488   11.123  175.180   17.967  174.059   14.163  253.456   13.119  253.084   10.356 0.3728333 16.71372 
1 1 1    2   24   22 o  139.403   10.822   53.240   8.1507   51.846   11.477   54.660   11.577  137.544   15.442  141.262   15.167 -3.718521 21.64444 
1 1 1    2   24   23 o  231.967   10.465  146.398   13.118   0.0000   0.0000  146.398   13.118  ?   ?   231.967   10.465      ?      ? 
1 1 1    2   24   24 o  142.420   10.329   55.665   7.9314   51.980   11.303   59.240   11.132  137.689   15.192  147.152   14.000 -9.463425 20.65885 
1 1 1    2   24   25 o  157.210   9.5883   67.405   8.0755   80.216   11.779   56.044   11.093  171.379   12.719  143.040   14.351 28.33885 19.17666 
1 1 1    2   24   26 o  130.161   10.985   46.654   7.7050   50.738   10.926   42.615   10.867  135.930   14.875  124.393   16.167 11.53652 21.96913 
1 1 1    2   24   27 o  129.616   11.157   47.072   7.6778   38.809   11.175   54.460   10.567  118.371   17.470  140.861   13.883 -22.48991 22.31455 
1 1 1    2   24   28 o   83.545   15.376   19.581   7.4899   31.127   11.006   9.6238   10.222  103.774   20.355   63.317   23.050 40.45731 30.75144 
1 1 1    2   24   29 o  165.197   9.1581   75.812   8.0667   63.722   11.644   86.970   11.186  152.123   14.165  178.270   11.612 -26.14682 18.31611 
1 1 1    2   24   30 o  217.748   10.423  129.502   12.264   0.0000   0.0000  129.502   12.264  ?   ?   217.748   10.423      ?      ? 
1 1 1    2   24   31 o  265.011   7.0064  191.647   10.009  193.286   14.701  190.231   13.666  265.976   10.229  264.046   9.5779 1.929443 14.01280 
1 1 1    2   24   32 o  121.065   11.376   40.742   7.4314   42.577   10.877   39.136   10.177  123.569   16.289  118.561   15.885 5.007835 22.75272 
1 1 1    2   24   33 o   63.575   15.591   9.9092   6.9657   3.3200   9.9214   16.315   9.7820   52.566   21.649   74.583   22.441 -22.01628 31.18129 
1 1 1    2   24   34 o   77.383   15.198   17.700   7.0244   9.3159   10.135   25.450   9.7445   61.881   22.884   92.885   20.005 -31.00406 30.39584 
1 1 1    2   24   35 o   67.058   15.552   12.776   6.5961   9.8972   9.7407   15.215   8.9641   62.233   22.525   71.883   21.449 -9.650314 31.10380 
1 1 1    2   24   36 o  183.356   8.2376   92.796   8.1424   94.109   11.968   91.665   11.110  184.435   12.008  182.276   11.280 2.158798 16.47517 
1 1 1    2   24   37 f  201.145   15.984  114.437   17.373   0.0000   0.0000  114.437   17.373  ?   ?   201.145   15.984      ?      ? 
1 1 1    2   24   38 o  158.385   11.932   67.903   9.9438   55.631   12.466   89.369   16.488  139.884   16.492  176.886   17.249 -37.00244 23.86498 
1 1 1    2   24   39 o  237.800   9.6876  157.135   12.349  145.563   16.265  172.883   18.975  227.904   13.207  247.696   14.176 -19.79190 19.37528 
1 1 1    2   24   40 o   91.182   18.293   27.190   9.6683   32.523   12.880   20.306   14.634  101.734   23.845   80.629   27.747 21.10420 36.58503 
1 1 1    2   24   41 o   44.141   14.736 -11.2748   9.1742  -9.0586   12.201 -14.1577   13.916   44.026   20.593   44.255   21.084 -0.2298164 29.47186 
1 1 1    2   24   42 o   59.822   17.649   5.8415   9.5829   8.7860   13.004   2.3423   14.176   62.586   25.148   57.059   24.770 5.527420 35.29845 
1 1 1    2   24   43 o   44.701   13.994  -2.7754   7.1061 -11.7548   10.921   3.8180   9.3582   38.946   18.588   50.456   20.925 -11.51053 27.98883 
1 1 1    2   24   44 o  242.217   7.2574  165.632   9.3358  148.856   14.104  178.713   12.455  230.349   11.331  254.084   9.0713 -23.73553 14.51487 
1 1 1    2   24   45 o  134.908   10.327   51.644   7.4100   56.122   11.726   48.667   9.5607  139.145   15.596  130.671   13.540 8.473404 20.65344 
1 1 1    2   24   46 o  243.811   7.2349  167.818   9.4173  153.829   14.060  179.201   12.683  233.743   11.131  253.879   9.2448 -20.13599 14.46980 
1 1 1    2   24   47 o   44.441   13.925  -0.4289   6.5339  -0.1260   10.223  -0.6380   8.4954   46.528   20.589   42.353   18.754 4.174114 27.84953 
1 1 1    2   24   48 o   77.506   15.555   20.325   6.7710   19.880   10.582   20.634   8.8110   75.845   23.444   79.167   20.452 -3.321701 31.11089 
1 1 1    2   24   49 o   56.710   14.719   7.5968   6.9543  -4.2066   10.428   17.050   9.3324   42.325   19.535   71.094   22.023 -28.76840 29.43900 
1 1 1    2   24   51 o   46.368   13.501  -2.0736   6.8297 -19.2609   10.039   12.735   9.3185   31.407   15.578   61.328   22.054 -29.92014 27.00115 
1 1 1    2   24   52 o   68.763   14.975   17.334   6.7976   8.3439   9.9483   25.207   9.3100   53.091   21.750   84.435   20.590 -31.34391 29.95024 
1 1 1    2   24   53 o   38.736   12.838  -5.6283   6.8533 -10.2664   9.6486  -0.9057   9.7361   34.993   16.900   42.478   19.330 -7.484161 25.67575 
1 1 1    2   24   54 o   66.544   17.810   19.889   9.5778   9.8513   17.009   24.550   11.590   56.707   25.706   76.381   24.659 -19.67385 35.62082 
1 1 1    2   25    0 o  394.422   9.4761  421.522   20.197   0.0000   0.0000  421.522   20.197  ?   ?   394.422   9.4761      ?      ? 
1 1 1    2   25    1 o   72.935   23.995   14.046   10.950   0.0000   0.0000   14.046   10.950  ?   ?    72.935   23.995      ?      ? 
1 1 1    2   25    2 o  252.963   10.718  173.531   14.651   0.0000   0.0000  173.531   14.651  ?   ?   252.963   10.718      ?      ? 
1 1 1    2   25    3 o  230.812   10.816  144.488   13.490   0.0000   0.0000  144.488   13.490  ?   ?   230.812   10.816      ?      ? 
1 1 1    2   25    6 o  234.188   11.050  148.814   13.983   0.0000   0.0000  148.814   13.983  ?   ?   234.188   11.050      ?      ? 
1 1 1    2   25    7 o  236.600   10.805  151.888   13.814   0.0000   0.0000  151.888   13.814  ?   ?   236.600   10.805      ?      ? 
1 1 1    2   25    8 o  135.325   15.511   49.925   11.342   0.0000   0.0000   49.925   11.342  ?   ?   135.325   15.511      ?      ? 
1 1 1    2   25   10 o  200.958   8.9410  107.079   9.4325  121.126   15.653   99.070   11.819  210.933   13.733  190.983   11.453 19.94936 17.88208 
1 1 1    2   25   11 o  313.809   7.2752  267.097   11.141  267.568   20.855  266.909   13.179  313.706   12.302  313.911   7.7695 -0.2051086 14.55039 
1 1 1    2   25   12 o  176.236   8.9543   86.382   7.8518   79.527   13.894   89.599   9.5173  170.734   15.060  181.738   9.6912 -11.00456 17.90864 
1 1 1    2   25   13 o  218.979   8.2182  130.308   9.7220  134.561   13.854  126.181   13.647  222.510   11.522  215.448   11.722 7.062286 16.43650 
1 1 1    2   25   15 o  193.439   13.102  101.945   13.695  101.945   13.695   0.0000   0.0000  193.439   13.102  ?   ?       ?      ? 
1 1 1    2   25   17 o  429.594   10.172  501.514   23.612   0.0000   0.0000  501.514   23.612  ?   ?   429.594   10.172      ?      ? 
1 1 1    2   25   18 o  134.161   13.071   50.655   9.1097   53.866   11.633   45.563   14.648  140.195   15.356  128.127   21.157 12.06833 26.14232 
1 1 1    2   25   19 o   61.408   17.309   6.0682   8.3557   6.8571   10.308   4.5563   14.269   59.399   22.830   63.417   26.022 -4.018402 34.61754 
1 1 1    2   25   20 o  161.129   10.995   70.341   9.4165   76.059   14.943   66.574   12.128  166.317   16.627  155.942   14.392 10.37444 21.99043 
1 1 1    2   25   21 o  266.725   8.1847  195.308   11.612  185.270   17.818  202.718   15.309  260.498   12.658  272.953   10.380 -12.45572 16.36938 
1 1 1    2   25   22 o   85.655   16.387   21.270   7.7748   22.293   10.935   20.224   11.056   87.632   22.855   83.678   23.489 3.954163 32.77366 
1 1 1    2   25   23 o  168.698   9.1301   77.972   8.3118   80.373   11.583   75.422   11.935  171.446   12.502  165.951   13.309 5.495712 18.26019 
1 1 1    2   25   24 o  225.643   10.843  138.934   13.221   0.0000   0.0000  138.934   13.221  ?   ?   225.643   10.843      ?      ? 
1 1 1    2   25   25 o  244.027   10.408  162.485   13.725   0.0000   0.0000  162.485   13.725  ?   ?   244.027   10.408      ?      ? 
1 1 1    2   25   26 o  230.140   10.553  144.626   13.123   0.0000   0.0000  144.626   13.123  ?   ?   230.140   10.553      ?      ? 
1 1 1    2   25   27 o  255.548   7.2943  178.296   10.056  178.750   14.654  177.891   13.826  255.780   10.602  255.316   10.021 0.4633942 14.58865 
1 1 1    2   25   28 o  168.882   9.1012   78.306   8.2962   80.573   12.080   76.283   11.413  171.148   13.062  166.616   12.677 4.532593 18.20232 
1 1 1    2   25   29 o  161.430   9.6265   72.839   8.2626   59.101   11.822   85.960   11.553  145.996   14.985  176.864   12.088 -30.86833 19.25291 
1 1 1    2   25   30 o   95.310   14.733   26.846   7.5710   19.519   10.857   33.782   10.563   81.048   23.451  109.573   17.841 -28.52479 29.46633 
1 1 1    2   25   31 o  181.538   8.8218   88.985   8.5048  116.008   13.023   68.891   11.230  205.271   11.741  157.805   13.170 47.46581 17.64351 
1 1 1    2   25   32 o   57.488   16.192   1.0035   7.9740  -7.2486   10.072   14.865   13.053   41.296   19.109   73.679   26.144 -32.38317 32.38309 
1 1 1    2   25   33 o  193.454   10.101  105.945   10.239  112.034   13.223   96.824   16.183  201.329   12.154  185.579   16.137 15.74979 20.20254 
1 1 1    2   25   34 o  274.364   9.2779  210.181   13.691  218.874   18.748  200.248   20.041  280.918   12.351  267.810   13.849 13.10800 18.55581 
1 1 1    2   25   35 o  165.411   11.919   78.422   10.550   88.041   14.682   68.153   15.171  176.677   15.378  154.146   18.213 22.53021 23.83711 
1 1 1    2   25   36 o   63.289   16.769   2.3503   8.6277  -9.2185   10.779   22.973   14.392   41.048   19.250   85.529   27.464 -44.48076 33.53862 
1 1 1    2   25   37 o   98.345   17.692   30.550   9.2892   29.977   11.964   31.419   14.740   98.181   22.961   98.510   26.923 -0.3293076 35.38414 
1 1 1    2   25   38 o   79.718   13.815   13.523   9.4780   41.622   12.466 -24.9775   14.592  119.214   19.351   40.223   19.723 78.99051 27.63046 
1 1 1    2   25   39 o  152.891   10.179   64.155   8.2721   80.315   13.170   53.626   10.631  168.232   14.487  137.550   14.303 30.68248 20.35802 
1 1 1    2   25   40 o  196.666   10.539  107.527   11.200   0.0000   0.0000  107.527   11.200  ?   ?   196.666   10.539      ?      ? 
1 1 1    2   25   41 o   55.669   14.967   6.9745   6.5902   1.0390   9.6246   12.214   9.0426   47.411   20.496   63.927   21.817 -16.51577 29.93419 
1 1 1    2   25   42 o   66.261   14.505   11.536   6.9605  -1.4991   9.9258   24.148   9.7634   45.031   20.086   87.490   20.932 -42.45906 29.01022 
1 1 1    2   25   43 o  179.385   8.4293   91.214   8.0971   78.542   11.544  103.488   11.361  166.458   12.834  192.312   10.932 -25.85440 16.85869 
1 1 1    2   25   44 o   52.300   15.169   4.7360   6.9509   8.3092   10.018   1.4194   9.6520   57.246   22.366   47.355   20.498 9.890415 30.33864 
1 1 1    2   25   45 o  150.205   9.5571   65.578   7.6287   59.758   11.527   70.113   10.176  143.238   14.893  157.172   11.982 -13.93378 19.11418 
1 1 1    2   25   46 o   85.313   15.386   24.199   7.0723   24.371   10.781   24.069   9.3702   84.671   22.977   85.954   20.468 -1.282265 30.77142 
1 1 1    2   25   47 o   63.340   15.984   12.947   7.1546   8.2437   10.499   17.025   9.7759   56.097   22.577   70.583   22.632 -14.48571 31.96758 
1 1 1    2   25   48 o  159.046   9.5246   73.732   8.1399   69.024   11.869   77.912   11.184  153.528   14.307  164.565   12.577 -11.03671 19.04929 
1 1 1    2   25   49 o   40.067   13.212  -5.4902   7.0344  -7.4206   10.221  -3.7528   9.6964   39.132   18.473   41.003   18.894 -1.870682 26.42403 
1 1 1    2   25   50 o   45.419   13.652  -4.8264   6.9113   14.628   10.495 -19.7225   9.1836   62.088   23.222   28.750   14.362 33.33788 27.30457 
1 1 1    2   25   51 o   50.274   14.987   5.6561   6.9317   6.1101   10.312   5.2819   9.3623   51.348   21.675   49.199   20.704 2.148846 29.97381 
1 1 1    2   25   52 o   69.547   17.546   21.134   10.693  -4.5878   19.047   32.973   12.922   50.073   24.071   89.020   25.535 -38.94646 35.09224 
1 1 1    2   26    0 o  130.636   34.328   50.270   24.549   0.0000   0.0000   50.270   24.549  ?   ?   130.636   34.328      ?      ? 
1 1 1    2   26    1 o  469.944   17.107  604.505   43.442   0.0000   0.0000  604.505   43.442  ?   ?   469.944   17.107      ?      ? 
1 1 1    2   26    2 o  221.510   12.629  133.521   15.117   0.0000   0.0000  133.521   15.117  ?   ?   221.510   12.629      ?      ? 
1 1 1    2   26    3 o  455.554   10.006  563.256   24.632   0.0000   0.0000  563.256   24.632  ?   ?   455.554   10.006      ?      ? 
1 1 1    2   26    4 o  249.443   8.5032  168.670   11.462   0.0000   0.0000  168.670   11.462  ?   ?   249.443   8.5032      ?      ? 
1 1 1    2   26    5 o  155.688   10.180   65.805   8.5644   0.0000   0.0000   65.805   8.5644  ?   ?   155.688   10.180      ?      ? 
1 1 1    2   26    6 o  293.057   7.1814  232.606   11.372   0.0000   0.0000  232.606   11.372  ?   ?   293.057   7.1814      ?      ? 
1 1 1    2   26    7 o  245.013   9.4244  162.891   12.478   0.0000   0.0000  162.891   12.478  ?   ?   245.013   9.4244      ?      ? 
1 1 1    2   26    8 o  227.505   8.1597  140.306   10.031   0.0000   0.0000  140.306   10.031  ?   ?   227.505   8.1597      ?      ? 
1 1 1    2   26    9 o  150.314   10.178   61.372   8.2673   0.0000   0.0000   61.372   8.2673  ?   ?   150.314   10.178      ?      ? 
1 1 1    2   26   10 o  124.575   12.208   42.266   8.2180   0.0000   0.0000   42.266   8.2180  ?   ?   124.575   12.208      ?      ? 
1 1 1    2   26   11 o  136.811   10.639   44.043   7.2932   76.689   13.603   30.873   8.6400  167.406   15.037  106.215   15.054 61.19147 21.27749 
1 1 1    2   26   12 o  180.890   8.6018   84.555   7.9065  102.860   14.319   76.526   9.4832  194.034   13.657  167.747   10.462 26.28725 17.20369 
1 1 1    2   26   13 o  261.097   7.3388  190.752   9.4270  172.207   16.919  199.101   11.352  251.243   12.462  270.951   7.7536 -19.70799 14.67758 
1 1 1    2   26   14 o  192.490   8.7233  101.148   9.0673   98.746   12.962  103.451   12.689  190.208   12.611  194.771   12.056 -4.563110 17.44670 
1 1 1    2   26   16 o  117.363   13.079   38.039   8.2932   37.943   11.626   38.139   11.833  117.231   18.353  117.495   18.637 -0.2641983 26.15711 
1 1 1    2   26   17 o   83.138   16.348   19.552   8.8484   32.752   11.813   2.6802   13.356  106.744   21.227   59.532   24.869 47.21238 32.69630 
1 1 1    2   26   18 o  318.752   13.540  278.153   23.321   0.0000   0.0000  278.153   23.321  ?   ?   318.752   13.540      ?      ? 
1 1 1    2   26   19 o  140.769   11.691   54.582   8.6967   70.856   12.778   40.540   11.870  160.590   14.725  120.948   18.162 39.64251 23.38152 
1 1 1    2   26   20 o  303.898   12.283  252.703   20.170  252.703   20.170   0.0000   0.0000  303.898   12.283  ?   ?       ?      ? 
1 1 1    2   26   22 o  196.331   12.009  105.562   12.740  105.562   12.740   0.0000   0.0000  196.331   12.009  ?   ?       ?      ? 
1 1 1    2   26   23 o  236.793   7.8931  153.331   10.099  154.738   14.340  151.946   14.226  237.872   11.156  235.714   11.169 2.158966 15.78618 
1 1 1    2   26   24 o  238.923   14.560  157.568   18.797   0.0000   0.0000  157.568   18.797  ?   ?   238.923   14.560      ?      ? 
1 1 1    2   26   25 o  130.547   13.375   46.660   9.1317   43.412   11.392   52.500   15.275  124.841   16.886  136.252   20.746 -11.41042 26.74987 
1 1 1    2   26   26 o  312.265   9.0123  268.824   15.190  281.081   21.370  256.306   21.595  319.638   12.372  304.892   13.108 14.74588 18.02458 
1 1 1    2   26   27 o  103.098   16.859   30.672   9.2039   22.793   11.950   42.162   14.431   87.116   24.409  119.079   23.261 -31.96270 33.71729 
1 1 1    2   26   28 o  217.144   9.9607  130.201   11.618  125.045   15.481  136.847   17.577  212.491   13.482  221.798   14.666 -9.306183 19.92150 
1 1 1    2   26   29 o  204.803   10.305  117.137   11.367  123.761   15.784  110.000   16.384  211.136   13.834  198.469   15.277 12.66692 20.60995 
1 1 1    2   26   30 f  117.643   15.383   40.287   9.5246   33.536   12.883   48.423   14.145  105.381   23.248  129.905   20.150 -24.52451 30.76520 
1 1 1    2   26   31 o   68.762   17.553   12.199   8.9862   18.777   11.463   1.7115   14.475   78.907   24.402   58.617   25.238 20.29018 35.10562 
1 1 1    2   26   32 o  234.827   9.7222  152.936   12.251  144.459   16.229  164.167   18.679  227.632   13.194  242.021   14.283 -14.38901 19.44430 
1 1 1    2   26   33 o   97.977   16.316   27.673   9.2586   13.277   12.279   46.644   14.095   69.576   25.274  126.378   20.640 -56.80215 32.63118 
1 1 1    2   26   34 o   65.223   16.529   11.735   7.3922   12.151   10.668   11.351   10.253   66.083   23.615   64.362   23.135 1.721519 33.05893 
1 1 1    2   26   35 o   57.408   15.583   6.4947   7.0316   12.806   10.448   1.2699   9.5065   66.774   23.419   48.042   20.563 18.73249 31.16575 
1 1 1    2   26   36 o   96.072   13.964   27.580   7.1371   33.876   10.322   21.812   9.8797  108.204   17.653   83.941   21.642 24.26305 27.92893 
1 1 1    2   26   37 o  192.835   11.787  103.906   12.282  103.906   12.282   0.0000   0.0000  192.835   11.787  ?   ?       ?      ? 
1 1 1    2   26   38 o   48.722   14.801   0.5207   7.1234   5.4717   10.524  -3.6659   9.6775   54.845   22.408   42.600   19.342 12.24447 29.60108 
1 1 1    2   26   39 o   60.466   15.658   10.049   6.8043   12.859   9.3484   6.8844   9.9226   65.238   22.183   55.694   22.104 9.544518 31.31608 
1 1 1    2   26   40 o  108.013   12.937   34.983   7.3978   33.458   10.279   36.622   10.655  104.707   18.861  111.319   17.714 -6.611923 25.87477 
1 1 1    2   26   41 o   39.360   12.962  -6.4912   6.7187  -6.7343   9.5851  -6.2564   9.4204   39.358   18.357   39.362   18.305 -0.3425598E-02 25.92459 
1 1 1    2   26   42 o   63.383   14.986   10.696   6.9549   0.2711   9.8744   20.960   9.7976   46.458   20.409   80.309   21.950 -33.85182 29.97238 
1 1 1    2   26   43 o   83.244   14.788   22.693   7.0172   13.378   10.018   31.668   9.8328   65.350   22.931  101.139   18.680 -35.78963 29.57596 
1 1 1    2   26   44 o   46.955   13.975  -0.6819   6.8470 -11.8839   9.8254   9.8941   9.5469   35.533   17.133   58.378   22.082 -22.84562 27.94913 
1 1 1    2   26   45 o   40.821   13.338  -5.5003   6.9820   0.4305   10.280 -10.5795   9.5131   46.258   20.549   35.383   17.010 10.87513 26.67570 
1 1 1    2   26   46 o   89.222   12.210   26.634   7.7115  -6.9456   11.499   54.082   10.396   42.465   19.904  135.979   14.148 -93.51410 24.41996 
1 1 1    2   26   47 o   72.153   16.450   18.119   7.4487   14.306   11.347   21.005   9.8739   65.772   24.234   78.534   22.252 -12.76222 32.90058 
1 1 1    2   26   48 o   89.328   14.810   29.038   7.4111   19.925   10.673   37.521   10.298   71.398   23.699  107.258   17.769 -35.85979 29.62080 
1 1 1    2   26   49 o  106.991   18.849   42.981   9.7982   49.640   20.718   41.063   11.120  101.137   32.993  112.845   18.237 -11.70849 37.69753 
1 1 1    2   26   50 o   90.062   17.770   39.113   11.530   10.822   20.438   52.320   13.964   60.175   27.618  119.949   22.368 -59.77414 35.53947 
1 1 1    2   27    0 o  114.779   13.627   36.012   8.4517   0.0000   0.0000   36.012   8.4517  ?   ?   114.779   13.627      ?      ? 
1 1 1    2   27    1 o  134.227   12.396   49.153   8.9911   0.0000   0.0000   49.153   8.9911  ?   ?   134.227   12.396      ?      ? 
1 1 1    2   27    2 o  245.893   10.368  164.478   13.776   0.0000   0.0000  164.478   13.776  ?   ?   245.893   10.368      ?      ? 
1 1 1    2   27    3 o  119.061   27.543   41.625   17.368   0.0000   0.0000   41.625   17.368  ?   ?   119.061   27.543      ?      ? 
1 1 1    2   27    4 o  168.294   14.909   77.613   13.558   0.0000   0.0000   77.613   13.558  ?   ?   168.294   14.909      ?      ? 
1 1 1    2   27    5 o  132.010   17.493   48.008   12.478   0.0000   0.0000   48.008   12.478  ?   ?   132.010   17.493      ?      ? 
1 1 1    2   27    7 o   73.442   24.873   14.276   11.752   0.0000   0.0000   14.276   11.752  ?   ?    73.442   24.873      ?      ? 
1 1 1    2   27    9 o  109.155   21.945   34.294   12.495   0.0000   0.0000   34.294   12.495  ?   ?   109.155   21.945      ?      ? 
1 1 1    2   27   11 f  102.747   23.297   30.687   12.637   0.0000   0.0000   30.687   12.637  ?   ?   102.747   23.297      ?      ? 
1 1 1    2   27   12 o   53.626   16.031  -3.3875   8.9522   8.5766   12.141 -17.6419   13.252   64.831   24.810   42.421   20.309 22.40963 32.06280 
1 1 1    2   27   13 f  238.694   9.4148  154.402   12.040  144.482   15.835  167.995   18.535  229.832   12.750  247.556   13.856 -17.72392 18.82967 
1 1 1    2   27   14 o  115.980   16.543   38.864   9.9437   36.802   13.192   41.577   15.131  112.645   22.461  119.315   24.294 -6.669395 33.08649 
1 1 1    2   27   15 o  308.720   9.0130  260.703   15.011  282.432   21.637  240.540   20.843  321.196   12.466  296.244   13.020 24.95218 18.02592 
1 1 1    2   27   16 o  159.946   11.821   70.002   10.125   64.865   13.286   77.117   15.637  153.185   16.051  166.708   17.358 -13.52312 23.64169 
1 1 1    2   27   17 o  168.583   11.291   78.477   10.138   77.815   13.243   79.414   15.756  168.050   14.584  169.115   17.241 -1.065338 22.58184 
1 1 1    2   27   18 o  243.107   9.3960  162.589   12.267  164.324   16.511  160.450   18.326  244.795   12.482  241.419   14.048 3.375961 18.79203 
1 1 1    2   27   19 o  330.864   9.1405  300.720   16.296  330.631   23.299  272.072   22.802  347.182   12.419  314.546   13.415 32.63593 18.28096 
1 1 1    2   27   20 o   58.519   17.162   1.5029   8.7937  -3.3761   11.059   9.8941   14.503   47.690   21.242   69.347   26.961 -21.65626 34.32377 
1 1 1    2   27   21 o   76.236   18.441   15.685   9.5220   21.586   12.767   8.2883   14.294   85.564   25.613   66.907   26.538 18.65752 36.88208 
1 1 1    2   27   22 o   56.433   16.746   2.6897   8.5996   4.2905   11.323   0.5081   13.219   56.811   23.231   56.055   24.126 0.7554512 33.49294 
1 1 1    2   27   23 o   71.223   18.061   12.851   8.7522   10.225   11.415   16.597   13.634   65.216   24.252   77.230   26.771 -12.01409 36.12279 
1 1 1    2   27   24 o  240.102   9.4784  159.943   12.187  162.905   16.284  156.171   18.377  243.046   12.399  237.158   14.340 5.887466 18.95679 
1 1 1    2   27   25 o  177.046   11.117   86.452   10.512   80.428   13.681   95.135   16.424  169.917   14.900  184.174   16.503 -14.25636 22.23386 
1 1 1    2   27   26 o  100.078   15.260   28.803   8.3092   43.288   12.504   17.348   11.119  123.454   18.744   76.702   24.085 46.75216 30.51967 
1 1 1    2   27   27 o   59.460   16.022   4.0702   8.0042   16.318   11.772  -6.4592   10.916   74.953   24.890   43.968   20.181 30.98487 32.04365 
1 1 1    2   27   28 o   70.884   16.249   13.936   7.3735   8.2357   10.067   20.535   10.831   59.594   22.643   82.174   23.313 -22.58011 32.49886 
1 1 1    2   27   29 o   56.634   15.966   6.0755   7.3499   6.1659   10.199   5.9778   10.601   56.442   22.407   56.826   22.751 -0.3845634 31.93273 
1 1 1    2   27   30 o  218.877   7.8338  132.444   9.2632  132.033   13.230  132.839   12.974  218.486   11.206  219.267   10.950 -0.7805176 15.66765 
1 1 1    2   27   31 o   82.361   16.062   20.802   7.4866   16.321   10.434   25.557   10.748   73.491   23.363   91.230   22.047 -17.73933 32.12318 
1 1 1    2   27   32 o   99.463   14.282   29.796   7.4101   25.568   10.168   34.585   10.821   91.380   21.029  107.546   19.331 -16.16529 28.56421 
1 1 1    2   27   33 o  153.807   9.9952   67.661   8.1821   57.578   11.949   76.564   11.227  142.175   15.553  165.438   12.559 -23.26205 19.99036 
1 1 1    2   27   34 o  106.129   13.936   33.702   7.6719   50.101   11.384   20.057   10.384  132.253   15.930   80.005   22.872 52.24815 27.87296 
1 1 1    2   27   35 o  144.316   10.355   58.944   8.0450   64.543   12.023   54.405   10.826  150.400   14.793  138.231   14.493 12.16838 20.70994 
1 1 1    2   27   36 o   59.907   15.738   9.2504   6.9645   13.351   9.8911   5.2186   9.8081   66.559   22.817   53.255   21.681 13.30397 31.47540 
1 1 1    2   27   37 o   85.018   15.263   22.795   7.1340   28.905   10.376   17.316   9.8247   96.260   20.571   73.776   22.554 22.48409 30.52671 
1 1 1    2   27   38 o   54.703   14.978   2.3286   7.3337   16.003   10.802  -9.3612   9.9880   71.129   23.848   38.278   18.127 32.85146 29.95535 
1 1 1    2   27   39 o   50.696   15.070   3.3271   7.0613   5.5424   9.7450   0.8781   10.246   53.206   21.631   48.185   20.988 5.021774 30.13935 
1 1 1    2   27   40 o  137.040   10.557   54.868   7.7380   46.424   10.928   63.359   10.959  125.620   16.098  148.460   13.660 -22.84001 21.11304 
1 1 1    2   27   41 o   69.421   16.405   15.632   7.2332   16.045   10.200   15.213   10.259   70.184   23.161   68.658   23.239 1.526024 32.81036 
1 1 1    2   27   42 o   64.282   14.955   10.746   7.2261  -1.8320   10.061   24.150   10.386   43.928   19.854   84.637   22.370 -40.70872 29.91009 
1 1 1    2   27   43 o   68.184   14.762   13.604   7.3044  -0.4780   10.342   27.621   10.318   45.468   20.375   90.901   21.366 -45.43360 29.52413 
1 1 1    2   27   44 o   61.912   15.600   10.977   7.1716   18.873   10.115   2.9957   10.170   74.524   22.902   49.300   21.189 25.22412 31.20090 
1 1 1    2   27   45 o  100.831   14.479   33.206   7.7317   26.573   11.036   39.601   10.836   88.006   22.963  113.655   17.644 -25.64893 28.95856 
1 1 1    2   27   46 o  149.743   10.758   70.156   8.5945   61.524   12.484   77.934   11.850  139.034   16.616  160.451   13.667 -21.41670 21.51513 
1 1 1    2   27   47 o   51.215   17.035  -2.4689   11.164   2.9527   19.831  -4.9842   13.508   56.993   26.523   45.438   21.385 11.55448 34.07027 
1 1 1    2   27   48 o  152.727   16.965   85.523   12.115   84.459   21.912   85.991   14.539  140.770   29.737  164.684   16.338 -23.91367 33.93013 
1 1 1    2   28    0 o  186.119   9.1527   94.206   9.2051   0.0000   0.0000   94.206   9.2051  ?   ?   186.119   9.1527      ?      ? 
1 1 1    2   28    1 o  360.261   8.1312  352.486   15.829   0.0000   0.0000  352.486   15.829  ?   ?   360.261   8.1312      ?      ? 
1 1 1    2   28    2 o  206.140   8.6373  115.489   9.6212   0.0000   0.0000  115.489   9.6212  ?   ?   206.140   8.6373      ?      ? 
1 1 1    2   28    3 o  242.926   7.9997  160.259   10.501   0.0000   0.0000  160.259   10.501  ?   ?   242.926   7.9997      ?      ? 
1 1 1    2   28    4 o  134.858   11.557   49.670   8.4221   0.0000   0.0000   49.670   8.4221  ?   ?   134.858   11.557      ?      ? 
1 1 1    2   28    5 o  165.015   19.430   75.871   17.325   0.0000   0.0000   75.871   17.325  ?   ?   165.015   19.430      ?      ? 
1 1 1    2   28    6 o  225.402   8.8502  138.179   10.780   0.0000   0.0000  138.179   10.780  ?   ?   225.402   8.8502      ?      ? 
1 1 1    2   28    7 o  269.136   7.5537  196.673   10.985   0.0000   0.0000  196.673   10.985  ?   ?   269.136   7.5537      ?      ? 
1 1 1    2   28    8 f  128.961   11.482   45.460   8.0015   0.0000   0.0000   45.460   8.0015  ?   ?   128.961   11.482      ?      ? 
1 1 1    2   28    9 o   45.275   18.821   1.6254   7.5961   0.0000   0.0000   1.6254   7.5961  ?   ?    45.275   18.821      ?      ? 
1 1 1    2   28   10 o  105.465   13.805   30.585   7.8677   0.0000   0.0000   30.585   7.8677  ?   ?   105.465   13.805      ?      ? 
1 1 1    2   28   11 o  213.976   8.1956  124.492   9.4762   0.0000   0.0000  124.492   9.4762  ?   ?   213.976   8.1956      ?      ? 
1 1 1    2   28   12 o  327.166   7.6171  290.814   13.466   0.0000   0.0000  290.814   13.466  ?   ?   327.166   7.6171      ?      ? 
1 1 1    2   28   13 o  198.457   8.4682  106.861   8.0626  110.225   15.603  105.635   9.4173  199.940   14.442  196.974   8.8477 2.965942 16.93632 
1 1 1    2   28   14 o  214.091   7.8997  128.089   8.4302  118.176   14.865  132.789   10.236  207.306   13.269  220.875   8.5758 -13.56923 15.79946 
1 1 1    2   28   15 o   94.216   16.487   26.505   8.3646   29.144   11.310   23.318   12.428   99.721   21.612   88.710   24.905 11.01122 32.97470 
1 1 1    2   28   16 o  109.874   15.932   35.377   8.9655   35.024   11.499   35.923   14.319  109.961   20.092  109.788   24.730 0.1728973 31.86302 
1 1 1    2   28   17 o  195.398   9.0655  104.272   9.5267  113.716   14.351   96.831   12.738  203.174   13.072  187.622   12.564 15.55206 18.13091 
1 1 1    2   28   18 o  336.015   12.605  311.036   22.887  311.036   22.887   0.0000   0.0000  336.015   12.605  ?   ?       ?      ? 
1 1 1    2   28   19 o  200.326   8.3648  110.324   9.0468  103.991   12.619  117.020   12.977  194.359   12.015  206.293   11.641 -11.93446 16.72952 
1 1 1    2   28   20 o  162.139   13.914   72.899   12.191   72.899   12.191   0.0000   0.0000  162.139   13.914  ?   ?       ?      ? 
1 1 1    2   28   22 o  170.442   9.4425   80.144   8.6696   72.028   11.852   89.484   12.714  161.121   13.613  179.764   13.089 -18.64357 18.88492 
1 1 1    2   28   23 o  189.648   8.7159   99.283   8.9237   96.226   12.301  102.678   12.965  186.615   12.199  192.681   12.452 -6.065613 17.43177 
1 1 1    2   28   24 o  255.581   10.591  179.727   14.627   0.0000   0.0000  179.727   14.627  ?   ?   255.581   10.591      ?      ? 
1 1 1    2   28   25 o   90.526   15.346   24.589   7.5345   17.655   10.303   32.558   11.046   76.492   23.035  104.561   20.282 -28.06856 30.69127 
1 1 1    2   28   26 o  193.820   8.5213  104.025   8.9154   98.295   12.314  110.337   12.925  188.197   12.109  199.442   11.993 -11.24460 17.04254 
1 1 1    2   28   27 o   42.948   13.880  -5.4826   7.1755  -7.4373   9.7084  -3.1292   10.653   39.853   18.550   46.042   20.653 -6.189610 27.76053 
1 1 1    2   28   28 o  279.117   10.274  215.070   15.496   0.0000   0.0000  215.070   15.496  ?   ?   279.117   10.274      ?      ? 
1 1 1    2   28   29 o  131.284   11.327   49.241   8.0230   46.337   11.361   52.131   11.332  127.191   16.530  135.377   15.491 -8.185974 22.65357 
1 1 1    2   28   30 o  133.593   10.981   50.906   7.9125   52.847   11.018   48.839   11.371  136.483   14.939  130.703   16.100 5.780167 21.96300 
1 1 1    2   28   31 o   78.999   16.170   19.046   7.5840   12.269   10.432   26.645   11.045   65.607   23.362   92.391   22.364 -26.78364 32.34100 
1 1 1    2   28   32 o   62.688   16.352   10.754   7.3138   10.255   10.543   11.218   10.154   62.076   23.264   63.299   22.985 -1.222240 32.70358 
1 1 1    2   28   33 o  162.096   9.3157   74.282   8.1568   74.699   11.704   73.889   11.374  162.451   13.333  161.741   13.013 0.7091217 18.63143 
1 1 1    2   28   34 o  130.788   11.567   49.725   8.1651   52.930   11.655   46.635   11.442  135.150   15.959  126.427   16.749 8.723183 23.13473 
1 1 1    2   28   35 o   68.092   14.161   10.267   7.3579  -7.1008   10.251   28.727   10.568   40.635   18.963   95.549   21.037 -54.91411 28.32279 
1 1 1    2   28   36 o   69.518   16.648   15.030   7.4703   13.083   10.410   17.096   10.726   65.914   23.352   73.123   23.733 -7.209587 33.29548 
1 1 1    2   28   37 o  312.469   9.7722  271.922   16.500   0.0000   0.0000  271.922   16.500  ?   ?   312.469   9.7722      ?      ? 
1 1 1    2   28   38 o  108.599   14.108   37.420   7.9420   28.295   11.429   45.940   11.044   92.543   22.964  124.655   16.396 -32.11141 28.21645 
1 1 1    2   28   39 o  116.972   12.418   41.136   7.8384   40.439   11.305   41.782   10.878  115.658   18.088  118.286   17.019 -2.627365 24.83574 
1 1 1    2   28   40 o   78.750   15.669   21.091   7.6464   10.390   10.888   31.504   10.740   59.640   23.313   97.859   20.943 -38.21918 31.33898 
1 1 1    2   28   41 o   47.916   14.770   1.3617   7.3164  -2.7267   10.285   5.5493   10.410   43.316   19.772   52.516   21.948 -9.199577 29.54075 
1 1 1    2   28   42 o   63.944   16.211   12.446   7.5000   6.0792   10.639   18.736   10.575   53.842   22.319   74.046   23.517 -20.20386 32.42184 
1 1 1    2   28   43 o   40.936   13.356  -7.8960   7.3234   2.8868   10.398 -18.5081   10.316   49.125   21.270   32.746   16.159 16.37910 26.71184 
1 1 1    2   28   44 o   51.767   16.843  -5.2440   10.583   19.088   17.824 -18.4932   13.152   66.488   28.299   37.046   18.274 29.44201 33.68681 
1 1 1    2   28   45 o   71.840   20.115   18.923   10.992   33.806   19.466   11.957   13.318   83.339   31.529   60.342   24.989 22.99682 40.23090 
1 1 1    2   28   46 o   68.932   18.577   19.302   11.934  -7.0901   20.612   32.613   14.638   51.352   24.775   86.512   27.689 -35.16023 37.15481 
1 1 1    2   29    0 o  149.963   10.491   61.432   8.5015   0.0000   0.0000   61.432   8.5015  ?   ?   149.963   10.491      ?      ? 
1 1 1    2   29    1 o   68.512   20.518   13.417   8.1914   0.0000   0.0000   13.417   8.1914  ?   ?    68.512   20.518      ?      ? 
1 1 1    2   29    2 o  187.531   9.8569   95.948   9.9885   0.0000   0.0000   95.948   9.9885  ?   ?   187.531   9.8569      ?      ? 
1 1 1    2   29    3 o  243.792   9.3136  161.992   12.269   0.0000   0.0000  161.992   12.269  ?   ?   243.792   9.3136      ?      ? 
1 1 1    2   29    4 o  202.859   9.1767  112.140   10.059   0.0000   0.0000  112.140   10.059  ?   ?   202.859   9.1767      ?      ? 
1 1 1    2   29    5 o  269.540   13.373  199.905   19.479   0.0000   0.0000  199.905   19.479  ?   ?   269.540   13.373      ?      ? 
1 1 1    2   29    6 o  154.103   10.204   64.859   8.4969   0.0000   0.0000   64.859   8.4969  ?   ?   154.103   10.204      ?      ? 
1 1 1    2   29    7 o  182.589   9.1465   90.874   9.0244   0.0000   0.0000   90.874   9.0244  ?   ?   182.589   9.1465      ?      ? 
1 1 1    2   29    8 o  192.380   9.5541  100.985   9.9320   0.0000   0.0000  100.985   9.9320  ?   ?   192.380   9.5541      ?      ? 
1 1 1    2   29    9 o  213.756   8.1972  124.378   9.4684   0.0000   0.0000  124.378   9.4684  ?   ?   213.756   8.1972      ?      ? 
1 1 1    2   29   10 o  230.518   9.3507  145.023   11.648   0.0000   0.0000  145.023   11.648  ?   ?   230.518   9.3507      ?      ? 
1 1 1    2   29   11 o  294.896   8.7931  237.158   14.012   0.0000   0.0000  237.158   14.012  ?   ?   294.896   8.7931      ?      ? 
1 1 1    2   29   12 o   83.235   17.529   20.111   7.6348   0.0000   0.0000   20.111   7.6348  ?   ?    83.235   17.529      ?      ? 
1 1 1    2   29   13 o   82.507   14.952   20.258   6.5217   19.338   10.962   20.762   8.1141   80.689   23.627   84.325   18.330 -3.636002 29.90394 
1 1 1    2   29   14 o   92.874   14.388   24.626   6.7432   28.333   11.582   22.724   8.2940   97.389   22.465   88.358   17.983 9.030884 28.77617 
1 1 1    2   29   15 o  223.170   9.6142  139.176   11.467  148.491   15.477  127.838   17.074  232.008   12.345  214.332   14.742 17.67670 19.22845 
1 1 1    2   29   16 o   83.481   16.137   19.993   7.8750   11.284   10.638   30.549   11.713   65.756   23.573  101.205   22.042 -35.44814 32.27306 
1 1 1    2   29   17 o  119.085   13.973   40.392   8.6719   51.081   13.073   31.992   11.589  134.373   18.004  103.798   21.373 30.57528 27.94579 
1 1 1    2   29   18 o   52.376   15.484   2.6601   7.3147   2.6622   9.9796   2.6576   10.753   51.602   21.522   53.149   22.268 -1.547253 30.96814 
1 1 1    2   29   19 o   88.700   16.216   23.733   7.9049   19.173   10.965   28.668   11.406   79.810   23.701   97.589   22.139 -17.77979 32.43263 
1 1 1    2   29   20 o  148.177   15.651   61.778   12.532   0.0000   0.0000   61.778   12.532  ?   ?   148.177   15.651      ?      ? 
1 1 1    2   29   21 o  159.128   9.7400   70.385   8.3497   63.511   11.391   78.367   12.275  150.692   13.989  167.565   13.556 -16.87271 19.47994 
1 1 1    2   29   22 o  127.564   11.662   45.913   8.0130   41.516   10.894   51.097   11.827  120.878   16.679  134.249   16.304 -13.37137 23.32364 
1 1 1    2   29   23 o  149.676   10.220   62.642   8.2377   55.936   11.268   70.341   12.073  140.975   14.792  158.376   14.107 -17.40025 20.44045 
1 1 1    2   29   24 o   85.553   15.832   22.559   7.3933   22.843   10.085   22.228   10.871   86.365   21.650   84.741   23.105 1.624176 31.66321 
1 1 1    2   29   25 o   85.545   16.044   22.480   7.4853   20.545   9.8976   25.065   11.441   81.575   21.965   89.514   23.393 -7.939209 32.08889 
1 1 1    2   29   26 o   86.002   15.466   23.500   7.3944   29.158   9.9336   16.469   11.074   98.487   19.356   73.517   24.127 24.97007 30.93171 
1 1 1    2   29   27 o   48.332   14.661   0.3432   7.1335   5.1714   9.4164  -6.1596   10.928   53.094   21.377   43.569   20.070 9.525032 29.32148 
1 1 1    2   29   28 o   83.960   16.770   22.318   7.9773   19.798   11.216   24.898   11.349   79.206   24.073   88.714   23.354 -9.508118 33.54009 
1 1 1    2   29   29 o  163.966   9.6364   76.631   8.4636   85.586   11.784   67.090   12.163  174.525   12.496  153.407   14.673 21.11789 19.27275 
1 1 1    2   29   30 o   61.930   16.058   10.331   7.2411   14.397   10.033   5.9095   10.462   68.587   22.983   55.273   22.434 13.31431 32.11665 
1 1 1    2   29   31 o   43.405   14.029  -4.4359   7.3387  -5.4351   10.052  -3.2957   10.738   41.680   19.217   45.131   20.445 -3.450878 28.05866 
1 1 1    2   29   32 o   46.841   14.569  -0.7595   7.3132   3.4057   9.8214  -5.9427   10.956   50.522   21.230   43.161   19.957 7.360661 29.13735 
1 1 1    2   29   33 o  115.056   13.224   39.809   8.0385   36.962   11.208   42.825   11.535  109.709   19.627  120.404   17.729 -10.69498 26.44897 
1 1 1    2   29   34 o  303.244   7.2510  256.366   11.865  238.222   16.528  275.660   17.044  291.973   10.476  314.515   10.028 -22.54172 14.50208 
1 1 1    2   29   35 o   84.048   16.484   23.563   7.7776   25.379   10.733   21.555   11.287   87.943   22.494   80.153   24.102 7.790436 32.96830 
1 1 1    2   29   36 o  224.861   11.219  142.687   13.632   0.0000   0.0000  142.687   13.632  ?   ?   224.861   11.219      ?      ? 
1 1 1    2   29   37 o  144.488   10.653   61.748   8.2718   55.841   11.832   67.397   11.569  136.942   15.989  152.034   14.082 -15.09210 21.30604 
1 1 1    2   29   38 o   53.871   15.578   5.4569   7.5797   12.614   10.853  -1.3589   10.591   62.715   23.584   45.027   20.359 17.68813 31.15565 
1 1 1    2   29   39 o  109.232   14.210   38.240   8.1627   34.633   11.759   41.594   11.340  102.093   21.966  116.371   18.033 -14.27831 28.42052 
1 1 1    2   29   40 o   73.864   17.007   18.899   8.0120   14.054   11.990   22.808   10.770   66.089   24.801   81.638   23.277 -15.54924 34.01303 
1 1 1    2   29   41 o   76.080   18.415   22.484   11.586  -5.6712   20.571   35.563   14.021   54.804   25.972   97.355   26.113 -42.55175 36.82943 
1 1 1    2   29   42 o   73.423   20.819   23.231   11.703   39.437   21.328   16.250   13.998   83.285   32.609   63.561   25.892 19.72443 41.63810 
1 1 1    2   29   43 o   58.578   18.484   7.4965   11.498   11.944   18.982   4.9189   14.452   62.882   27.929   54.275   24.220 8.606827 36.96827 
1 1 1    2   29   44 o   57.968   14.698   5.8912   7.6238 -11.7342   10.518   25.404   11.067   35.505   17.263   80.432   23.794 -44.92728 29.39639 
1 1 1    2   30    0 o   47.207   19.172   3.0279   7.6452   0.0000   0.0000   3.0279   7.6452  ?   ?    47.207   19.172      ?      ? 
1 1 1    2   30    1 o   69.406   20.062   14.068   7.9488   0.0000   0.0000   14.068   7.9488  ?   ?    69.406   20.062      ?      ? 
1 1 1    2   30    2 o  292.191   8.2146  232.780   12.970   0.0000   0.0000  232.780   12.970  ?   ?   292.191   8.2146      ?      ? 
1 1 1    2   30    3 o  121.985   12.191   41.017   8.0359   0.0000   0.0000   41.017   8.0359  ?   ?   121.985   12.191      ?      ? 
1 1 1    2   30    4 o  164.407   9.5475   73.941   8.4820   0.0000   0.0000   73.941   8.4820  ?   ?   164.407   9.5475      ?      ? 
1 1 1    2   30    5 o   72.827   18.507   15.563   7.2984   0.0000   0.0000   15.563   7.2984  ?   ?    72.827   18.507      ?      ? 
1 1 1    2   30    6 o   67.613   19.337   13.343   7.4205   0.0000   0.0000   13.343   7.4205  ?   ?    67.613   19.337      ?      ? 
1 1 1    2   30    7 o   45.503   18.773   2.2311   7.4760   0.0000   0.0000   2.2311   7.4760  ?   ?    45.503   18.773      ?      ? 
1 1 1    2   30    8 o  177.172   9.4708   85.892   9.0671   0.0000   0.0000   85.892   9.0671  ?   ?   177.172   9.4708      ?      ? 
1 1 1    2   30    9 o  151.099   10.637   62.692   8.6848   0.0000   0.0000   62.692   8.6848  ?   ?   151.099   10.637      ?      ? 
1 1 1    2   30   10 o  121.268   12.584   40.655   8.2463   0.0000   0.0000   40.655   8.2463  ?   ?   121.268   12.584      ?      ? 
1 1 1    2   30   11 o   52.056   19.447   6.1973   7.3559   0.0000   0.0000   6.1973   7.3559  ?   ?    52.056   19.447      ?      ? 
1 1 1    2   30   12 o  101.200   13.987   28.506   7.6487   0.0000   0.0000   28.506   7.6487  ?   ?   101.200   13.987      ?      ? 
1 1 1    2   30   13 o  195.787   8.6239  104.803   9.1238   0.0000   0.0000  104.803   9.1238  ?   ?   195.787   8.6239      ?      ? 
1 1 1    2   30   14 o   50.509   15.739  -1.2662   8.2532  -0.1448   10.647  -2.9550   13.065   49.406   21.457   51.613   23.031 -2.206413 31.47750 
1 1 1    2   30   15 o   42.468   13.777  -5.0241   6.6446  -4.6441   11.865  -5.1977   8.0201   47.495   21.505   37.442   17.227 10.05250 27.55464 
1 1 1    2   30   16 o  176.255   8.6802   85.122   7.8114   89.707   13.606   82.867   9.5405  179.012   14.065  173.499   10.176 5.513199 17.36044 
1 1 1    2   30   17 o   55.857   15.804   4.3634   7.7379   10.991   10.392  -3.8836   11.592   64.239   23.264   47.475   21.398 16.76401 31.60836 
1 1 1    2   30   18 o   71.416   16.888   14.988   7.7068   16.811   10.558   12.909   11.276   74.671   23.473   68.162   24.287 6.509254 33.77620 
1 1 1    2   30   19 o   98.593   14.731   29.659   7.5727   32.166   10.228   26.617   11.266  104.210   18.857   92.976   22.637 11.23367 29.46195 
1 1 1    2   30   20 o  111.025   14.018   37.759   7.9731   46.095   10.832   27.901   11.779  127.345   15.741   94.705   23.200 32.63925 28.03583 
1 1 1    2   30   21 o   94.344   15.546   27.562   7.7697   28.712   10.600   26.228   11.421   97.047   20.837   91.642   23.078 5.405502 31.09250 
1 1 1    2   30   22 o   78.568   16.238   19.530   7.4979   23.255   9.8582   14.418   11.549   86.955   21.177   70.181   24.621 16.77364 32.47570 
1 1 1    2   30   23 o  159.127   10.050   70.246   8.5621   60.330   11.278   83.735   13.154  146.078   14.288  172.176   14.138 -26.09747 20.10086 
1 1 1    2   30   24 o  184.187   12.930   95.314   12.869   0.0000   0.0000   95.314   12.869  ?   ?   184.187   12.930      ?      ? 
1 1 1    2   30   25 o  107.594   13.972   34.521   7.9131   29.036   10.743   41.024   11.699   96.861   21.121  118.328   18.297 -21.46652 27.94442 
1 1 1    2   30   26 o   52.131   14.806  -0.8434   7.3666 -12.8392   9.9077   13.987   11.016   35.907   17.286   68.354   24.043 -32.44781 29.61210 
1 1 1    2   30   27 o  120.744   17.718   42.815   11.560   0.0000   0.0000   42.815   11.560  ?   ?   120.744   17.718      ?      ? 
1 1 1    2   30   28 o   95.883   15.346   28.885   7.8118   22.841   10.667   35.876   11.472   84.179   22.860  107.588   20.482 -23.40871 30.69295 
1 1 1    2   30   29 o  162.084   9.7838   75.010   8.5458   74.550   11.656   75.545   12.566  161.865   13.327  162.304   14.328 -0.4389496 19.56761 
1 1 1    2   30   30 o  166.184   9.9535   78.943   8.9223   72.802   12.433   85.464   12.812  159.280   14.445  173.087   13.698 -13.80693 19.90708 
1 1 1    2   30   31 o  126.479   12.443   47.958   8.3815   53.431   11.475   41.698   12.271  135.466   15.676  117.491   19.329 17.97499 24.88653 
1 1 1    2   30   32 o   88.166   16.000   25.201   7.8657   17.556   10.689   34.231   11.616   73.032   23.691  103.300   21.510 -30.26809 31.99925 
1 1 1    2   30   33 o   62.690   16.624   11.436   7.7311   14.352   10.651   8.1886   11.240   67.211   23.641   58.170   23.378 9.040558 33.24763 
1 1 1    2   30   34 o  150.587   11.099   67.537   8.8715   53.835   12.477   81.549   12.617  133.635   17.278  167.538   13.936 -33.90343 22.19813 
1 1 1    2   30   35 o   70.521   16.802   16.906   7.8802   22.922   11.203   11.014   11.087   80.564   23.964   60.478   23.557 20.08635 33.60351 
1 1 1    2   30   36 o   84.263   16.935   24.988   8.1619   28.179   11.269   21.466   11.838   90.783   22.957   77.743   24.902 13.03980 33.86946 
1 1 1    2   30   37 o  108.666   17.566   49.174   10.552   21.009   20.384   59.483   12.332   76.302   31.182  141.031   16.182 -64.72974 35.13103 
1 1 1    2   30   38 o   81.497   19.920   26.135   11.942   10.673   19.506   35.405   15.104   65.838   28.809   97.157   27.519 -31.31947 39.84081 
1 1 1    2   30   39 o   70.734   18.398   19.955   11.699  -6.8176   19.868   34.167   14.475   51.279   24.633   90.189   27.335 -38.91061 36.79654 
1 1 1    2   30   40 o   57.647   18.463   4.1697   11.420   21.207   20.470  -3.5293   13.760   68.954   29.849   46.339   21.737 22.61475 36.92523 
1 1 1    2   30   41 o   60.087   16.504   12.241   7.7646   15.078   10.929   9.3500   11.033   64.227   23.762   55.946   22.911 8.281002 33.00776 
1 1 1    2   30   42 o   42.253   13.813  -2.2304   7.5588  -7.3292   10.906   2.4835   10.486   38.620   18.472   45.885   20.543 -7.264748 27.62648 
1 1 1    2   31    0 o   43.095   18.386   0.6243   7.5556   0.0000   0.0000   0.6243   7.5556  ?   ?    43.095   18.386      ?      ? 
1 1 1    2   31    1 o  104.022   14.506   30.284   8.1536   0.0000   0.0000   30.284   8.1536  ?   ?   104.022   14.506      ?      ? 
1 1 1    2   31    2 o  188.527   9.9214   97.651   10.107   0.0000   0.0000   97.651   10.107  ?   ?   188.527   9.9214      ?      ? 
1 1 1    2   31    3 o  231.245   7.9999  146.079   9.9964   0.0000   0.0000  146.079   9.9964  ?   ?   231.245   7.9999      ?      ? 
1 1 1    2   31    4 o   41.466   18.013  -0.4471   7.5072   0.0000   0.0000  -0.4471   7.5072  ?   ?    41.466   18.013      ?      ? 
1 1 1    2   31    5 o   96.251   15.023   26.034   7.8137   0.0000   0.0000   26.034   7.8137  ?   ?    96.251   15.023      ?      ? 
1 1 1    2   31    6 o  117.330   12.946   38.316   8.2080   0.0000   0.0000   38.316   8.2080  ?   ?   117.330   12.946      ?      ? 
1 1 1    2   31    7 o   41.600   18.097  -0.4892   7.5978   0.0000   0.0000  -0.4892   7.5978  ?   ?    41.600   18.097      ?      ? 
1 1 1    2   31    8 o   70.379   19.604   14.784   7.7322   0.0000   0.0000   14.784   7.7322  ?   ?    70.379   19.604      ?      ? 
1 1 1    2   31    9 o  214.033   9.4776  125.837   10.961   0.0000   0.0000  125.837   10.961  ?   ?   214.033   9.4776      ?      ? 
1 1 1    2   31   10 o   33.412   15.773  -7.6765   7.4527   0.0000   0.0000  -7.6765   7.4527  ?   ?    33.412   15.773      ?      ? 
1 1 1    2   31   11 o  289.246   9.0584  229.580   14.158   0.0000   0.0000  229.580   14.158  ?   ?   289.246   9.0584      ?      ? 
1 1 1    2   31   12 o  158.045   10.368   68.903   8.8543   0.0000   0.0000   68.903   8.8543  ?   ?   158.045   10.368      ?      ? 
1 1 1    2   31   13 o  184.124   13.752   95.099   13.683   0.0000   0.0000   95.099   13.683  ?   ?   184.124   13.752      ?      ? 
1 1 1    2   31   14 o   50.768   19.398   5.7657   7.4139   0.0000   0.0000   5.7657   7.4139  ?   ?    50.768   19.398      ?      ? 
1 1 1    2   31   15 o  103.163   14.219   32.993   7.0943   28.559   12.759   34.978   8.5355   94.961   24.649  111.364   14.184 -16.40235 28.43836 
1 1 1    2   31   16 o   92.558   13.730   21.743   6.6961   42.613   11.879   12.023   8.1069  121.238   18.132   63.879   20.623 57.35901 27.46092 
1 1 1    2   31   17 o  126.473   10.901   44.825   7.0856   47.793   12.183   43.308   8.7103  128.656   17.524  124.291   12.969 4.365257 21.80102 
1 1 1    2   31   18 o   94.908   15.712   27.954   7.9236   25.811   11.116   30.168   11.297   90.900   22.699   98.916   21.730 -8.016159 31.42364 
1 1 1    2   31   19 o  116.543   13.662   40.730   8.3064   44.737   11.395   36.187   12.134  124.524   16.935  108.562   21.444 15.96223 27.32478 
1 1 1    2   31   20 o   54.931   16.033   4.4216   7.8963   8.3326   10.744  -0.1729   11.645   59.440   23.179   50.421   22.157 9.018585 32.06524 
1 1 1    2   31   21 o  172.967   13.799   84.811   12.897   0.0000   0.0000   84.811   12.897  ?   ?   172.967   13.799      ?      ? 
1 1 1    2   31   22 o  127.699   12.523   47.966   8.5801   53.531   12.058   42.258   12.211  135.935   16.416  119.464   18.917 16.47083 25.04630 
1 1 1    2   31   23 o  177.797   9.7004   89.123   9.2010   71.383   12.462  110.385   13.643  157.913   14.604  197.680   12.772 -39.76691 19.40083 
1 1 1    2   31   24 o   62.740   15.883   9.2420   7.9523   19.924   10.773  -3.5487   11.788   78.502   23.534   46.979   21.337 31.52216 31.76636 
1 1 1    2   31   25 o   50.141   15.212   2.0561   7.4501   4.5986   9.8341  -1.3687   11.414   52.111   21.518   48.171   21.508 3.939854 30.42410 
1 1 1    2   31   27 o   56.688   16.124   7.0395   7.5117   6.7389   9.9545   7.4369   11.448   55.222   22.068   58.155   23.515 -2.933132 32.24850 
1 1 1    2   31   28 o   68.019   15.084   11.449   8.0671   27.831   11.018  -7.4856   11.844   92.555   22.294   43.483   20.323 49.07234 30.16723 
1 1 1    2   31   29 o  203.872   12.549  118.503   13.824   0.0000   0.0000  118.503   13.824  ?   ?   203.872   12.549      ?      ? 
1 1 1    2   31   30 o   91.733   16.216   27.732   8.2534   19.106   11.343   37.437   12.031   75.419   24.400  108.046   21.364 -32.62708 32.43106 
1 1 1    2   31   31 o  185.509   12.971   99.276   13.003   0.0000   0.0000   99.276   13.003  ?   ?   185.509   12.971      ?      ? 
1 1 1    2   31   32 o   62.076   16.762   11.484   8.0282   6.4625   11.094   17.006   11.632   54.319   22.676   69.833   24.691 -15.51419 33.52386 
1 1 1    2   31   33 o  154.113   10.804   70.660   8.9758   65.589   12.694   75.731   12.694  148.023   15.870  160.203   14.663 -12.17926 21.60699 
1 1 1    2   31   34 o   67.253   19.999   11.401   13.231  -3.6577   21.190   21.025   16.939   58.445   27.272   76.061   29.259 -17.61593 39.99750 
1 1 1    2   31   35 f   61.910   19.370   5.1170   12.876   14.784   19.294  -2.6441   17.288   69.520   29.513   54.300   25.094 15.21975 38.73921 
1 1 1    2   31   36 o   54.523   17.618   2.4662   11.837  -5.9257   18.630   8.1464   15.328   51.287   24.423   57.760   25.400 -6.472958 35.23647 
1 1 1    2   31   37 o   56.225   17.056   7.1056   9.0954   0.2960   11.381   19.140   15.130   45.565   20.799   66.884   27.038 -21.31934 34.11180 
1 1 1    2   31   38 f   51.611   14.990   3.2164   7.7123   15.183   10.718  -9.6306   11.106   64.659   23.594   38.563   18.496 26.09646 29.97989 
1 1 1    2   31   39 o   99.743   15.571   36.306   8.1670   37.632   11.352   34.884   11.759  102.803   21.141   96.683   22.866 6.120964 31.14143 
1 1 1    2   31   40 o   63.894   16.803   16.223   7.8711   11.685   10.720   21.530   11.594   56.607   22.802   71.180   24.686 -14.57359 33.60567 
1 1 1    2   32    0 o  195.629   11.008  106.093   11.637   0.0000   0.0000  106.093   11.637  ?   ?   195.629   11.008      ?      ? 
1 1 1    2   32    1 o  104.483   14.474   30.825   8.1717   0.0000   0.0000   30.825   8.1717  ?   ?   104.483   14.474      ?      ? 
1 1 1    2   32    2 o   52.008   19.860   6.1453   7.7689   0.0000   0.0000   6.1453   7.7689  ?   ?    52.008   19.860      ?      ? 
1 1 1    2   32    3 o  128.020   11.788   45.618   8.1545   0.0000   0.0000   45.618   8.1545  ?   ?   128.020   11.788      ?      ? 
1 1 1    2   32    4 o  163.104   9.5847   73.320   8.4475   0.0000   0.0000   73.320   8.4475  ?   ?   163.104   9.5847      ?      ? 
1 1 1    2   32    5 o   82.249   17.753   20.182   7.6590   0.0000   0.0000   20.182   7.6590  ?   ?    82.249   17.753      ?      ? 
1 1 1    2   32    6 f   81.052   18.138   19.686   7.7457   0.0000   0.0000   19.686   7.7457  ?   ?    81.052   18.138      ?      ? 
1 1 1    2   32    7 o   83.005   17.079   20.433   7.4050   0.0000   0.0000   20.433   7.4050  ?   ?    83.005   17.079      ?      ? 
1 1 1    2   32    8 o  218.183   8.1156  130.506   9.5682   0.0000   0.0000  130.506   9.5682  ?   ?   218.183   8.1156      ?      ? 
1 1 1    2   32    9 o   88.084   16.656   22.869   7.6376   0.0000   0.0000   22.869   7.6376  ?   ?    88.084   16.656      ?      ? 
1 1 1    2   32   10 o   47.011   19.095   3.4767   7.5860   0.0000   0.0000   3.4767   7.5860  ?   ?    47.011   19.095      ?      ? 
1 1 1    2   32   11 o   37.314   16.890  -3.1142   7.3124   0.0000   0.0000  -3.1142   7.3124  ?   ?    37.314   16.890      ?      ? 
1 1 1    2   32   12 f  164.730   14.552   76.973   12.954   0.0000   0.0000   76.973   12.954  ?   ?   164.730   14.552      ?      ? 
1 1 1    2   32   13 f   64.702   20.063   12.583   7.7431   0.0000   0.0000   12.583   7.7431  ?   ?    64.702   20.063      ?      ? 
1 1 1    2   32   14 o   39.997   17.822  -1.8214   7.7932   0.0000   0.0000  -1.8214   7.7932  ?   ?    39.997   17.822      ?      ? 
1 1 1    2   32   15 f   42.448   18.164   0.8727   7.4140   0.0000   0.0000   0.8727   7.4140  ?   ?    42.448   18.164      ?      ? 
1 1 1    2   32   16 o  120.031   11.694   38.512   6.8936   49.977   13.403   34.388   8.0384  129.875   19.098  110.188   13.500 19.68652 23.38775 
1 1 1    2   32   17 o  161.455   9.1934   72.387   7.5405   77.545   13.292   69.940   9.1563  164.471   14.956  158.439   10.695 6.031403 18.38671 
1 1 1    2   32   18 o   77.150   14.229   20.037   6.3842   9.7050   11.426   24.726   7.6979   61.669   23.944   92.631   15.379 -30.96116 28.45753 
1 1 1    2   32   19 o   64.531   15.706   7.9872   8.0609  -6.4392   11.077   24.228   11.753   43.075   19.970   85.987   24.247 -42.91203 31.41175 
1 1 1    2   32   20 o  174.957   9.4034   87.091   8.8706   87.474   12.175   86.657   12.951  175.674   12.825  174.240   13.755 1.434296 18.80681 
1 1 1    2   32   21 o   88.858   15.949   26.199   7.8919   32.344   10.554   18.406   11.885  102.341   19.801   75.376   25.009 26.96450 31.89858 
1 1 1    2   32   22 o   54.340   15.644   5.0306   7.5153   9.9443   10.207  -0.7883   11.107   60.525   22.847   48.155   21.377 12.36916 31.28835 
1 1 1    2   32   23 o   43.792   14.157  -4.1485   7.4903  -2.7305   10.064  -5.9094   11.215   43.968   19.866   43.616   20.176 0.3522453 28.31495 
1 1 1    2   32   24 o  137.675   11.525   57.272   8.2414   70.961   11.361   42.070   11.973  157.391   13.359  117.958   18.784 39.43345 23.04972 
1 1 1    2   32   25 o   62.072   16.681   10.648   7.8725   6.5861   10.984   14.939   11.289   55.754   22.849   68.391   24.309 -12.63657 33.36150 
1 1 1    2   32   26 o   55.631   15.798   6.5206   7.3710   2.5198   10.057   11.163   10.834   49.194   21.106   62.067   23.512 -12.87289 31.59573 
1 1 1    2   32   27 o   82.247   16.273   22.231   7.7242   15.415   10.382   30.681   11.560   68.467   23.377   96.028   22.645 -27.56125 32.54690 
1 1 1    2   32   28 o   63.114   16.370   10.052   8.0565   0.1107   10.783   22.614   12.121   46.912   20.929   79.316   25.177 -32.40382 32.73986 
1 1 1    2   32   29 o   50.077   15.418   2.1348   8.0549   6.8220   10.731  -3.9137   12.191   54.417   22.474   45.737   21.114 8.679836 30.83671 
1 1 1    2   32   30 o   60.464   19.446   0.4123   13.523   12.863   21.887  -7.2748   17.198   69.477   30.457   51.451   24.188 18.02650 38.89288 
1 1 1    2   32   31 o  192.295   16.249  111.747   14.899  193.176   24.343   62.973   18.840  251.489   17.913  133.101   27.115 118.3878 32.49776 
1 1 1    2   32   32 o   71.109   20.665   17.334   12.920   12.514   19.263   21.277   17.420   67.035   28.988   75.183   29.461 -8.147911 41.33051 
1 1 1    2   32   33 o   85.003   19.963   32.531   12.889   10.489   19.542   49.505   17.148   61.331   27.700  108.675   28.755 -47.34338 39.92692 
1 1 1    2   32   34 o   58.590   16.575   12.172   7.9657   13.089   10.653   11.010   11.996   59.872   23.155   57.309   23.723 2.562904 33.15023 
1 1 1    2   32   35 o   70.743   17.162   18.965   7.9870   21.363   11.137   16.426   11.461   75.043   24.166   66.443   24.374 8.600021 34.32355 
1 1 1    2   32   36 o   38.560   13.111 -10.2134   8.0849  -4.5133   11.378 -16.0265   11.490   41.864   19.679   35.255   17.330 6.609104 26.22170 
1 1 1    2   32   37 o   43.085   14.127  -1.3130   7.8416  -0.8890   10.797  -1.7861   11.407   43.011   19.861   43.159   20.096 -0.1485443 28.25388 
1 1 1    2   33    0 o  119.440   12.391   40.060   7.9972   0.0000   0.0000   40.060   7.9972  ?   ?   119.440   12.391      ?      ? 
1 1 1    2   33    1 o   70.732   19.761   15.354   7.8441   0.0000   0.0000   15.354   7.8441  ?   ?    70.732   19.761      ?      ? 
1 1 1    2   33    2 o  188.329   9.1345   97.886   9.2959   0.0000   0.0000   97.886   9.2959  ?   ?   188.329   9.1345      ?      ? 
1 1 1    2   33    3 o   41.638   18.095  -0.0227   7.5819   0.0000   0.0000  -0.0227   7.5819  ?   ?    41.638   18.095      ?      ? 
1 1 1    2   33    4 o   80.683   17.653   19.629   7.4824   0.0000   0.0000   19.629   7.4824  ?   ?    80.683   17.653      ?      ? 
1 1 1    2   33    5 o   85.127   17.277   21.725   7.6757   0.0000   0.0000   21.725   7.6757  ?   ?    85.127   17.277      ?      ? 
1 1 1    2   33    6 o   99.922   15.035   28.591   8.1180   0.0000   0.0000   28.591   8.1180  ?   ?    99.922   15.035      ?      ? 
1 1 1    2   33    7 o   64.427   19.565   12.612   7.4104   0.0000   0.0000   12.612   7.4104  ?   ?    64.427   19.565      ?      ? 
1 1 1    2   33    8 o   88.787   17.073   23.588   7.8936   0.0000   0.0000   23.588   7.8936  ?   ?    88.787   17.073      ?      ? 
1 1 1    2   33    9 o   50.850   19.079   6.3971   7.0953   0.0000   0.0000   6.3971   7.0953  ?   ?    50.850   19.079      ?      ? 
1 1 1    2   33   10 o   71.507   19.376   15.797   7.6733   0.0000   0.0000   15.797   7.6733  ?   ?    71.507   19.376      ?      ? 
1 1 1    2   33   11 o   63.333   23.991   10.987   11.279   0.0000   0.0000   10.987   11.279  ?   ?    63.333   23.991      ?      ? 
1 1 1    2   33   12 o   38.984   17.642  -2.8899   7.9717   0.0000   0.0000  -2.8899   7.9717  ?   ?    38.984   17.642      ?      ? 
1 1 1    2   33   13 o   63.180   19.863   12.204   7.5598   0.0000   0.0000   12.204   7.5598  ?   ?    63.180   19.863      ?      ? 
1 1 1    2   33   14 o  272.783   9.2889  206.235   13.692   0.0000   0.0000  206.235   13.692  ?   ?   272.783   9.2889      ?      ? 
1 1 1    2   33   15 o  143.669   10.678   57.661   8.2899   0.0000   0.0000   57.661   8.2899  ?   ?   143.669   10.678      ?      ? 
1 1 1    2   33   16 o   77.972   19.137   18.848   8.0030   0.0000   0.0000   18.848   8.0030  ?   ?    77.972   19.137      ?      ? 
1 1 1    2   33   17 o   93.588   14.297   26.666   6.7342   29.752   11.563   25.081   8.2843   96.144   22.632   91.031   17.477 5.112770 28.59418 
1 1 1    2   33   18 o  181.162   8.6437   87.263   7.9438  109.910   14.486   77.524   9.4995  195.888   13.685  166.436   10.562 29.45238 17.28735 
1 1 1    2   33   19 o   44.194   13.893  -0.3733   6.2780  -1.8568   11.260   0.2959   7.5626   46.948   21.132   41.440   18.041 5.508167 27.78524 
1 1 1    2   33   20 o  156.864   11.325   72.553   9.2904   96.081   13.555   51.710   12.758  182.636   13.735  131.092   18.011 51.54427 22.65017 
1 1 1    2   33   21 o  144.789   11.456   61.868   8.9507   61.698   12.341   62.056   13.002  144.910   15.760  144.668   16.632 0.2414398 22.91256 
1 1 1    2   33   22 o  146.959   11.326   63.690   8.9571   62.161   12.079   65.557   13.351  145.512   15.362  148.406   16.648 -2.893860 22.65291 
1 1 1    2   33   24 o  118.843   13.839   43.975   8.5862   36.040   11.295   54.838   13.216  104.906   20.660  132.780   18.419 -27.87450 27.67846 
1 1 1    2   33   25 o   45.876   16.098 -19.5824   10.745 -10.0090   23.507 -22.1108   12.081   56.850   27.171   34.903   17.271 21.94691 32.19606 
1 1 1    2   33   26 o   83.412   20.534   21.849   15.256 -17.7095   23.418   51.014   20.108   53.992   26.136  112.831   31.679 -58.83807 41.06886 
1 1 1    2   33   27 o  108.542   23.934   48.109   15.334   60.631   24.458   40.000   19.683  118.245   35.462   98.839   32.154 19.40604 47.86893 
1 1 1    2   33   28 o   67.886   20.598   11.944   14.169  -0.1326   22.065   20.417   18.483   60.877   28.210   74.895   30.021 -14.01799 41.19525 
1 1 1    2   33   29 o   43.078   15.094 -26.8167   13.067 -27.7703   19.802 -26.0811   17.392   44.412   22.001   41.745   20.669 2.667519 30.18707 
1 1 1    2   33   30 o   43.343   14.377  -3.6585   8.4931  -3.1911   11.525  -4.2138   12.564   42.938   20.062   43.748   20.600 -0.8097458 28.75436 
1 1 1    2   33   31 f  119.895   17.987   46.524   11.653   46.524   11.653   0.0000   0.0000  119.895   17.987  ?   ?       ?      ? 
1 1 1    2   33   32 o   48.922   15.100   1.0347   8.0308   10.817   11.507  -8.2541   11.213   58.236   23.566   39.609   18.885 18.62721 30.19946 
1 1 1    2   33   33 o   74.218   17.102   22.094   7.8713   20.756   10.868   23.569   11.415   72.108   23.914   76.328   24.454 -4.220604 34.20382 
1 1 1    2   33   34 o   64.206   14.421   7.4661   7.9993 -14.8461   10.770   34.921   11.947   33.972   16.715   94.440   23.504 -60.46813 28.84108 
1 1 1    2   34    0 o   90.713   17.218   24.798   8.1312   0.0000   0.0000   24.798   8.1312  ?   ?    90.713   17.218      ?      ? 
1 1 1    2   34    1 o   40.685   17.986  -0.9627   7.7835   0.0000   0.0000  -0.9627   7.7835  ?   ?    40.685   17.986      ?      ? 
1 1 1    2   34    2 o   99.874   14.800   28.706   7.9871   0.0000   0.0000   28.706   7.9871  ?   ?    99.874   14.800      ?      ? 
1 1 1    2   34    3 o   96.741   15.550   27.103   8.1288   0.0000   0.0000   27.103   8.1288  ?   ?    96.741   15.550      ?      ? 
1 1 1    2   34    4 o   50.948   19.563   6.1791   7.5643   0.0000   0.0000   6.1791   7.5643  ?   ?    50.948   19.563      ?      ? 
1 1 1    2   34    5 o   60.763   20.253   11.055   7.7914   0.0000   0.0000   11.055   7.7914  ?   ?    60.763   20.253      ?      ? 
1 1 1    2   34    6 o   85.022   17.362   21.888   7.7069   0.0000   0.0000   21.888   7.7069  ?   ?    85.022   17.362      ?      ? 
1 1 1    2   34    7 o   67.961   20.119   14.383   7.9099   0.0000   0.0000   14.383   7.9099  ?   ?    67.961   20.119      ?      ? 
1 1 1    2   34    8 o   56.773   19.673   9.3206   7.3625   0.0000   0.0000   9.3206   7.3625  ?   ?    56.773   19.673      ?      ? 
1 1 1    2   34    9 o   54.251   20.080   7.8739   7.8071   0.0000   0.0000   7.8739   7.8071  ?   ?    54.251   20.080      ?      ? 
1 1 1    2   34   10 o   52.492   22.638   2.6664   11.686   0.0000   0.0000   2.6664   11.686  ?   ?    52.492   22.638      ?      ? 
1 1 1    2   34   11 o   63.401   20.897   12.463   8.3033   0.0000   0.0000   12.463   8.3033  ?   ?    63.401   20.897      ?      ? 
1 1 1    2   34   12 o   91.299   17.307   25.424   8.2260   0.0000   0.0000   25.424   8.2260  ?   ?    91.299   17.307      ?      ? 
1 1 1    2   34   13 o   50.886   19.831   6.1853   7.8608   0.0000   0.0000   6.1853   7.8608  ?   ?    50.886   19.831      ?      ? 
1 1 1    2   34   14 o   85.528   18.254   22.700   8.1795   0.0000   0.0000   22.700   8.1795  ?   ?    85.528   18.254      ?      ? 
1 1 1    2   34   15 o  170.140   9.5007   80.713   8.7348   0.0000   0.0000   80.713   8.7348  ?   ?   170.140   9.5007      ?      ? 
1 1 1    2   34   16 o   61.445   20.371   11.759   7.8865   0.0000   0.0000   11.759   7.8865  ?   ?    61.445   20.371      ?      ? 
1 1 1    2   34   17 f   64.744   20.065   13.449   7.7456   0.0000   0.0000   13.449   7.7456  ?   ?    64.744   20.065      ?      ? 
1 1 1    2   34   18 o   49.399   14.115   4.9870   6.1752  -3.2004   10.755   9.0140   7.5425   43.843   20.090   54.954   19.832 -11.11093 28.22946 
1 1 1    2   34   19 o   48.564   13.812   2.0892   6.9655 -22.0203   13.058   11.678   8.2349   36.802   18.164   60.326   20.812 -23.52374 27.62331 
1 1 1    2   34   20 o  102.744   16.106   31.773   8.9421   0.0000   0.0000   31.773   8.9421  ?   ?   102.744   16.106      ?      ? 
1 1 1    2   34   21 o   74.233   21.401   18.397   9.0562   0.0000   0.0000   18.397   9.0562  ?   ?    74.233   21.401      ?      ? 
1 1 1    2   34   22 o   76.588   21.946   19.982   14.896   7.1284   21.397   32.072   20.751   65.315   29.286   87.861   32.695 -22.54545 43.89286 
1 1 1    2   34   23 o   97.819   23.325   37.223   14.752   57.995   23.835   24.324   18.781  115.904   35.064   79.733   30.770 36.17043 46.65032 
1 1 1    2   34   24 o  105.722   23.023   49.576   15.407   35.653   23.575   59.955   20.355   88.114   34.343  123.330   30.672 -35.21669 46.04529 
1 1 1    2   34   25 o   71.766   18.544   21.186   9.9845   25.183   11.714   10.565   19.093   81.386   24.572   62.147   27.779 19.23903 37.08712 
1 1 1    2   34   26 o   52.635   15.769   7.1632   8.0626   11.992   10.843   1.1916   12.058   58.127   23.095   47.144   21.476 10.98292 31.53726 
1 1 1    2   34   27 o   94.879   16.595   33.503   8.4935   37.017   12.084   30.072   11.940  101.045   22.687   88.714   24.226 12.33155 33.19016 
1 1 1    2   34   28 o   58.062   15.897   8.3361   8.1505   20.231   11.425  -3.9919   11.631   72.730   24.525   43.395   20.234 29.33579 31.79414 
1 1 1    2   34   29 o   42.994   14.136  -4.5076   8.1451   3.2204   11.604 -12.0138   11.436   48.731   21.728   37.256   18.088 11.47507 28.27181 
1 1 1    2   34   30 o   49.165   15.216   3.9663   8.1238   11.146   11.148  -4.1649   11.863   56.158   23.017   42.173   19.906 13.98504 30.43108 
1 1 1    2   35    0 o   35.993   16.817  -5.8820   8.0981   0.0000   0.0000  -5.8820   8.0981  ?   ?    35.993   16.817      ?      ? 
1 1 1    2   35    1 o  138.032   11.930   54.087   8.8984   0.0000   0.0000   54.087   8.8984  ?   ?   138.032   11.930      ?      ? 
1 1 1    2   35    2 o  116.481   13.861   39.175   8.7244   0.0000   0.0000   39.175   8.7244  ?   ?   116.481   13.861      ?      ? 
1 1 1    2   35    3 o  105.059   14.756   32.155   8.3770   0.0000   0.0000   32.155   8.3770  ?   ?   105.059   14.756      ?      ? 
1 1 1    2   35    4 o   44.113   18.903   1.6114   8.0497   0.0000   0.0000   1.6114   8.0497  ?   ?    44.113   18.903      ?      ? 
1 1 1    2   35    5 o   88.463   18.216   24.340   8.4176   0.0000   0.0000   24.340   8.4176  ?   ?    88.463   18.216      ?      ? 
1 1 1    2   35    6 o   91.226   17.515   25.656   8.3203   0.0000   0.0000   25.656   8.3203  ?   ?    91.226   17.515      ?      ? 
1 1 1    2   35    7 o   79.205   19.797   20.185   8.4499   0.0000   0.0000   20.185   8.4499  ?   ?    79.205   19.797      ?      ? 
1 1 1    2   35    8 o   37.307   17.225  -4.2242   8.1172   0.0000   0.0000  -4.2242   8.1172  ?   ?    37.307   17.225      ?      ? 
1 1 1    2   35    9 f   54.850   23.149   5.9310   11.759   0.0000   0.0000   5.9310   11.759  ?   ?    54.850   23.149      ?      ? 
1 1 1    2   35   10 o   54.993   21.067   8.5483   8.7590   0.0000   0.0000   8.5483   8.7590  ?   ?    54.993   21.067      ?      ? 
1 1 1    2   35   11 o  155.771   10.674   68.908   8.9844   0.0000   0.0000   68.908   8.9844  ?   ?   155.771   10.674      ?      ? 
1 1 1    2   35   12 o  145.095   10.849   59.885   8.5064   0.0000   0.0000   59.885   8.5064  ?   ?   145.095   10.849      ?      ? 
1 1 1    2   35   13 o   38.160   17.473  -3.1542   8.1154   0.0000   0.0000  -3.1542   8.1154  ?   ?    38.160   17.473      ?      ? 
1 1 1    2   35   14 o   65.381   21.777   14.066   9.0094   0.0000   0.0000   14.066   9.0094  ?   ?    65.381   21.777      ?      ? 
1 1 1    2   35   15 o   37.214   17.899 -11.7472   10.567   0.0000   0.0000 -11.7472   10.567  ?   ?    37.214   17.899      ?      ? 
1 1 1    2   35   16 o  103.783   20.134   34.581   10.884   0.0000   0.0000   34.581   10.884  ?   ?   103.783   20.134      ?      ? 
1 1 1    2   35   17 o  116.403   19.055   42.034   11.986   0.0000   0.0000   42.034   11.986  ?   ?   116.403   19.055      ?      ? 
1 1 1    2   35   18 o   44.129   20.256  -3.4378   11.000   0.0000   0.0000  -3.4378   11.000  ?   ?    44.129   20.256      ?      ? 
1 1 1    2   35   19 o   97.839   22.108   32.737   11.413   0.0000   0.0000   32.737   11.413  ?   ?    97.839   22.108      ?      ? 
1 1 1    2   35   20 o   48.260   14.945   1.8887   8.1250 -12.8446   14.197   9.0643   9.9080   41.849   20.280   54.672   21.957 -12.82316 29.88952 
1 1 1    2   35   21 o  162.893   9.9997   76.397   8.2580   96.892   15.038   67.549   9.8811  174.991   15.904  150.795   12.126 24.19629 19.99944 
1 1 1    2   35   22 o   46.726   14.477  -1.9268   6.6286   13.788   12.254  -8.4274   7.8812   61.399   24.502   32.052   15.427 29.34663 28.95450 
1 1 1    2   35   23 o   78.791   17.025   23.837   8.3680   30.783   11.524   16.089   12.171   91.857   23.208   65.725   24.915 26.13187 34.04972 
1 1 1    2   35   24 o   46.150   14.313  -1.0441   7.7645   9.5785   10.182 -15.8032   12.002   55.611   22.286   36.688   17.968 18.92313 28.62681 
1 1 1    2   35   25 o   33.609   11.692 -17.1888   7.6691  -8.4086   10.093 -29.1860   11.798   36.662   17.597   30.557   15.401 6.104742 23.38495 
1 1 1    2   35   26 o   64.789   17.167   17.410   8.1356   18.316   11.291   16.431   11.733   66.376   24.217   63.202   24.340 3.174175 34.33483 
1 1 1    2   36    0 o   49.644   20.553   4.6953   9.0063   0.0000   0.0000   4.6953   9.0063  ?   ?    49.644   20.553      ?      ? 
1 1 1    2   36    1 o   87.227   19.304   24.362   8.8580   0.0000   0.0000   24.362   8.8580  ?   ?    87.227   19.304      ?      ? 
1 1 1    2   36    2 o   48.003   19.912   4.1303   8.4758   0.0000   0.0000   4.1303   8.4758  ?   ?    48.003   19.912      ?      ? 
1 1 1    2   36    3 o   61.733   21.086   12.116   8.4468   0.0000   0.0000   12.116   8.4468  ?   ?    61.733   21.086      ?      ? 
1 1 1    2   36    4 o  137.157   17.067   56.878   12.649   0.0000   0.0000   56.878   12.649  ?   ?   137.157   17.067      ?      ? 
1 1 1    2   36    5 o  145.280   12.575   60.699   9.8717   0.0000   0.0000   60.699   9.8717  ?   ?   145.280   12.575      ?      ? 
1 1 1    2   36    6 o  111.837   15.667   37.166   9.4679   0.0000   0.0000   37.166   9.4679  ?   ?   111.837   15.667      ?      ? 
1 1 1    2   36    7 o  147.018   13.124   62.504   10.426   0.0000   0.0000   62.504   10.426  ?   ?   147.018   13.124      ?      ? 
1 1 1    2   36    9 f   32.236   16.203 -32.1555   12.584   0.0000   0.0000 -32.1555   12.584  ?   ?    32.236   16.203      ?      ? 
1 1 1    2   36   10 o   53.560   22.194   6.4021   10.516   0.0000   0.0000   6.4021   10.516  ?   ?    53.560   22.194      ?      ? 
1 1 1    2   36   11 o   67.312   23.688   15.823   10.694   0.0000   0.0000   15.823   10.694  ?   ?    67.312   23.688      ?      ? 
1 1 1    2   36   12 o   49.157   21.713   2.8172   11.320   0.0000   0.0000   2.8172   11.320  ?   ?    49.157   21.713      ?      ? 
1 1 1    2   36   13 o   58.063   23.279   11.350   11.116   0.0000   0.0000   11.350   11.116  ?   ?    58.063   23.279      ?      ? 
1 1 1    2   36   14 o   36.318   17.466  -8.9314   10.053   0.0000   0.0000  -8.9314   10.053  ?   ?    36.318   17.466      ?      ? 
1 1 1    2   36   15 o   36.592   16.959  -3.0493   7.9787   0.0000   0.0000  -3.0493   7.9787  ?   ?    36.592   16.959      ?      ? 
1 1 1    2   36   16 o   34.436   16.188  -5.0425   7.7008   0.0000   0.0000  -5.0425   7.7008  ?   ?    34.436   16.188      ?      ? 
1 1 1    2   36   17 o   39.451   17.822  -1.0318   8.0951   0.0000   0.0000  -1.0318   8.0951  ?   ?    39.451   17.822      ?      ? 
1 1 1    2   36   18 o   63.960   20.686   14.288   8.1538   0.0000   0.0000   14.288   8.1538  ?   ?    63.960   20.686      ?      ? 
1 1 1    2   36   19 o   60.176   23.366   13.087   10.882   0.0000   0.0000   13.087   10.882  ?   ?    60.176   23.366      ?      ? 
1 1 1    2   36   20 o   84.887   16.091   24.621   7.3085   40.293   12.965   17.320   8.8484  101.979   23.937   67.795   21.510 34.18413 32.18206 
1 1 1    2   36   21 o   68.946   16.563   16.922   7.2077   29.257   12.540   10.836   8.8081   82.712   25.513   55.180   21.129 27.53204 33.12628 
1 1 1    2   37    0 o   46.775   21.310   0.4440   11.877   0.0000   0.0000   0.4440   11.877  ?   ?    46.775   21.310      ?      ? 
1 1 1    2   37    1 o   67.731   24.602   17.943   11.634   0.0000   0.0000   17.943   11.634  ?   ?    67.731   24.602      ?      ? 
1 1 1    2   37    2 o   79.277   24.727   24.736   11.742   0.0000   0.0000   24.736   11.742  ?   ?    79.277   24.727      ?      ? 
1 1 1    2   37    3 o   41.517   19.628  -6.1128   11.615   0.0000   0.0000  -6.1128   11.615  ?   ?    41.517   19.628      ?      ? 
1 1 1    2   37    4 o   76.146   24.417   22.419   11.378   0.0000   0.0000   22.419   11.378  ?   ?    76.146   24.417      ?      ? 
1 1 1    2   37    5 o   51.905   22.380   5.7276   11.415   0.0000   0.0000   5.7276   11.415  ?   ?    51.905   22.380      ?      ? 
1 1 1    2   37    6 o   40.554   18.881  -4.0454   10.067   0.0000   0.0000  -4.0454   10.067  ?   ?    40.554   18.881      ?      ? 
1 1 1    2   37    7 o   37.670   18.526 -18.5505   13.185   0.0000   0.0000 -18.5505   13.185  ?   ?    37.670   18.526      ?      ? 
1 1 1    2   37    8 o   32.596   15.783 -10.3958   8.5575   0.0000   0.0000 -10.3958   8.5575  ?   ?    32.596   15.783      ?      ? 
1 1 1    2   37    9 o   35.118   16.612  -6.1606   8.3433   0.0000   0.0000  -6.1606   8.3433  ?   ?    35.118   16.612      ?      ? 
1 1 1    2   37   10 o  116.780   14.137   41.408   8.9211   0.0000   0.0000   41.408   8.9211  ?   ?   116.780   14.137      ?      ? 
1 1 1    2   37   11 f   37.255   17.310  -3.3369   8.3926   0.0000   0.0000  -3.3369   8.3926  ?   ?    37.255   17.310      ?      ? 
1 1 1    2   37   12 o   45.765   19.550   4.3517   8.5620   0.0000   0.0000   4.3517   8.5620  ?   ?    45.765   19.550      ?      ? 
1 1 1    2   37   13 o   48.771   19.961   6.8349   8.3692   0.0000   0.0000   6.8349   8.3692  ?   ?    48.771   19.961      ?      ? 
1 1 1    2   37   14 o   34.040   16.128  -5.3472   7.9251   0.0000   0.0000  -5.3472   7.9251  ?   ?    34.040   16.128      ?      ? 
1 1 1    3    0    1 o  195.645   3.2260  103.589   4.8173  103.589   4.8173  103.589   4.8173  195.645   4.5622  195.645   4.5622 0.000000 0.000000 
1 1 1    3    0    4 o  2013.22   23.854 10987.55  366.763 10987.55  366.763 10987.55  366.763  2013.22   33.735  2013.22   33.735 0.000000 0.000000 
1 1 1    3    0    5 f  134.439   2.8440   48.965   2.9159   48.965   2.9159   48.965   2.9159  134.439   4.0220  134.439   4.0220 0.000000 0.000000 
1 1 1    3    0    6 o  153.956   3.0031   64.188   3.5271   64.188   3.5271   64.188   3.5271  153.956   4.2470  153.956   4.2470 0.000000 0.000000 
1 1 1    3    0    7 o  139.952   2.9595   53.063   3.1587   53.063   3.1587   53.063   3.1587  139.952   4.1853  139.952   4.1853 0.000000 0.000000 
1 1 1    3    0    8 o  365.385   4.8907  361.133   13.645  361.133   13.645  361.133   13.645  365.385   6.9164  365.385   6.9164 0.000000 0.000000 
1 1 1    3    0    9 o  2021.18   23.940 11076.17  369.539 11076.17  369.539 11076.17  369.539  2021.18   33.856  2021.18   33.856 0.000000 0.000000 
1 1 1    3    0   10 o  276.938   4.0536  207.497   8.5705  207.497   8.5705  207.497   8.5705  276.938   5.7327  276.938   5.7327 0.000000 0.000000 
1 1 1    3    0   11 o  398.437   5.2673  429.418   16.025  429.418   16.025  429.418   16.025  398.437   7.4491  398.437   7.4491 0.000000 0.000000 
1 1 1    3    0   12 f  1301.64   15.502  4585.56  154.101  4585.56  154.101  4585.56  154.101  1301.64   21.923  1301.64   21.923 0.000000 0.000000 
1 1 1    3    0   13 o   86.579   3.5351   20.456   2.3211   20.456   2.3211   20.456   2.3211   86.579   4.9994   86.579   4.9994 0.000000 0.000000 
1 1 1    3    0   14 o  235.287   3.7801  149.813   6.7888  149.813   6.7888  149.813   6.7888  235.287   5.3458  235.287   5.3458 0.000000 0.000000 
1 1 1    3    0   15 o  1373.01   16.338  5104.09  171.313  5104.09  171.313  5104.09  171.313  1373.01   23.105  1373.01   23.105 0.000000 0.000000 
1 1 1    3    0   16 o  365.547   4.9765  361.478   13.890  361.478   13.890  361.478   13.890  365.547   7.0378  365.547   7.0378 0.000000 0.000000 
1 1 1    3    0   17 o  511.837   6.5118  708.669   25.452  708.669   25.452  708.669   25.452  511.837   9.2091  511.837   9.2091 0.000000 0.000000 
1 1 1    3    0   18 o  1324.61   15.790  4753.23  159.730  4753.23  159.730  4753.23  159.730  1324.61   22.330  1324.61   22.330 0.000000 0.000000 
1 1 1    3    0   19 o  471.496   6.0933  601.465   21.938  601.465   21.938  601.465   21.938  471.496   8.6172  471.496   8.6172 0.000000 0.000000 
1 1 1    3    0   20 o  519.416   6.6119  729.991   26.226  729.991   26.226  729.991   26.226  519.416   9.3506  519.416   9.3506 0.000000 0.000000 
1 1 1    3    0   21 o  420.993   5.5894  479.538   17.968  479.538   17.968  479.538   17.968  420.993   7.9046  420.993   7.9046 0.000000 0.000000 
1 1 1    3    0   22 o  448.096   5.8783  543.290   20.113  543.290   20.113  543.290   20.113  448.096   8.3131  448.096   8.3131 0.000000 0.000000 
1 1 1    3    0   23 o  156.755   3.7753   66.633   4.5105   66.633   4.5105   66.633   4.5105  156.755   5.3390  156.755   5.3390 0.000000 0.000000 
1 1 1    3    0   24 o  243.979   4.0978  161.139   7.6304  161.139   7.6304  161.139   7.6304  243.979   5.7951  243.979   5.7951 0.000000 0.000000 
1 1 1    3    0   25 o  167.181   3.8774   75.775   4.9417   75.775   4.9417   75.775   4.9417  167.181   5.4835  167.181   5.4835 0.000000 0.000000 
1 1 1    3    0   26 f   58.691   7.6001   10.197   3.0710   10.197   3.0710   10.197   3.0710   58.691   10.748   58.691   10.748 0.000000 0.000000 
1 1 1    3    0   27 o  307.934   4.6486  256.618   10.928  256.618   10.928  256.618   10.928  307.934   6.5741  307.934   6.5741 0.000000 0.000000 
1 1 1    3    0   28 o  278.998   4.4697  210.681   9.5187  210.681   9.5187  210.681   9.5187  278.998   6.3211  278.998   6.3211 0.000000 0.000000 
1 1 1    3    0   29 o  800.596   9.7914  1735.01   59.864  1735.01   59.864  1735.01   59.864  800.596   13.847  800.596   13.847 0.000000 0.000000 
1 1 1    3    0   30 o  1590.35   18.939  6862.64  230.030  6862.64  230.030  6862.64  230.030  1590.35   26.784  1590.35   26.784 0.000000 0.000000 
1 1 1    3    0   31 o  1045.40   12.587  2959.22  100.491  2959.22  100.491  2959.22  100.491  1045.40   17.801  1045.40   17.801 0.000000 0.000000 
1 1 1    3    0   34 o  567.295   10.372  872.072   44.896  872.072   44.896  872.072   44.896  567.295   14.668  567.295   14.668 0.000000 0.000000 
1 1 1    3    0   35 o  917.300   11.144  2277.95   78.067  2277.95   78.067  2277.95   78.067  917.300   15.760  917.300   15.760 0.000000 0.000000 
1 1 1    3    0   36 o   44.789   14.082   7.8270   5.1006   7.8270   5.1006   7.8270   5.1006   44.789   19.915   44.789   19.915 0.000000 0.000000 
1 1 1    3    0   37 o  174.975   7.3695   83.649   9.7741   83.649   9.7741   83.649   9.7741  174.975   10.422  174.975   10.422 0.000000 0.000000 
1 1 1    3    0   38 o  555.429   10.231  836.261   43.361  836.261   43.361  836.261   43.361  555.429   14.469  555.429   14.469 0.000000 0.000000 
1 1 1    3    0   39 o  185.487   8.2886   94.144   11.641   94.144   11.641   94.144   11.641  185.487   11.722  185.487   11.722 0.000000 0.000000 
1 1 1    3    0   40 o  546.909   10.297  811.036   42.966  811.036   42.966  811.036   42.966  546.909   14.562  546.909   14.562 0.000000 0.000000 
1 1 1    3    0   41 o  134.257   7.4806   49.640   7.5654   49.640   7.5654   49.640   7.5654  134.257   10.579  134.257   10.579 0.000000 0.000000 
1 1 1    3    0   42 o  570.306   7.4534  880.550   32.459  880.550   32.459  880.550   32.459  570.306   10.541  570.306   10.541 0.000000 0.000000 
1 1 1    3    0   43 o  491.755   6.7300  654.668   25.270  654.668   25.270  654.668   25.270  491.755   9.5176  491.755   9.5176 0.000000 0.000000 
1 1 1    3    0   44 o  298.390   5.4165  241.215   12.333  241.215   12.333  241.215   12.333  298.390   7.6601  298.390   7.6601 0.000000 0.000000 
1 1 1    3    0   45 o  614.489   7.8901  1022.97   37.023  1022.97   37.023  1022.97   37.023  614.489   11.158  614.489   11.158 0.000000 0.000000 
1 1 1    3    0   46 o  313.299   5.4183  265.927   12.955  265.927   12.955  265.927   12.955  313.299   7.6626  313.299   7.6626 0.000000 0.000000 
1 1 1    3    0   47 o  227.486   5.3913  140.451   9.3486  140.451   9.3486  140.451   9.3486  227.486   7.6245  227.486   7.6245 0.000000 0.000000 
1 1 1    3    0   48 o  550.104   7.2885  820.464   30.616  820.464   30.616  820.464   30.616  550.104   10.307  550.104   10.307 0.000000 0.000000 
1 1 1    3    0   49 o  380.321   5.7944  392.072   16.823  392.072   16.823  392.072   16.823  380.321   8.1945  380.321   8.1945 0.000000 0.000000 
1 1 1    3    0   50 o  175.338   5.9371   83.819   7.9136   83.819   7.9136   83.819   7.9136  175.338   8.3963  175.338   8.3963 0.000000 0.000000 
1 1 1    3    0   51 o  158.630   6.2099   68.792   7.4751   68.792   7.4751   68.792   7.4751  158.630   8.7821  158.630   8.7821 0.000000 0.000000 
1 1 1    3    0   52 o  200.889   5.4483  109.794   8.3361  109.794   8.3361  109.794   8.3361  200.889   7.7050  200.889   7.7050 0.000000 0.000000 
1 1 1    3    0   53 o  142.552   6.6165   55.839   7.1365   55.839   7.1365   55.839   7.1365  142.552   9.3571  142.552   9.3571 0.000000 0.000000 
1 1 1    3    0   54 o  207.054   5.5527  116.713   8.7573  116.713   8.7573  116.713   8.7573  207.054   7.8527  207.054   7.8527 0.000000 0.000000 
1 1 1    3    0   55 o   24.355   11.609  -2.6338   6.2405  -2.6338   6.2405  -2.6338   6.2405   24.355   16.418   24.355   16.418 0.000000 0.000000 
1 1 1    3    0   56 o  123.482   7.6800   42.483   7.1182   42.483   7.1182   42.483   7.1182  123.482   10.861  123.482   10.861 0.000000 0.000000 
1 1 1    3    0   57 o   90.088   10.732   24.061   6.7584   24.061   6.7584   24.061   6.7584   90.088   15.177   90.088   15.177 0.000000 0.000000 
1 1 1    3    0   58 o  316.643   5.5340  272.940   13.373  272.940   13.373  272.940   13.373  316.643   7.8263  316.643   7.8263 0.000000 0.000000 
1 1 1    3    0   59 o  193.903   5.8884  102.899   8.6888  102.899   8.6888  102.899   8.6888  193.903   8.3274  193.903   8.3274 0.000000 0.000000 
1 1 1    3    0   60 o  121.446   13.387   44.054   11.525   44.054   11.525   44.054   11.525  121.446   18.933  121.446   18.933 0.000000 0.000000 
1 1 1    3    0   62 o   26.322   13.114 -10.7793   10.420 -10.7793   10.420 -10.7793   10.420   26.322   18.545   26.322   18.545 0.000000 0.000000 
1 1 1    3    0   63 o  301.830   5.7733  249.120   13.295  249.120   13.295  249.120   13.295  301.830   8.1647  301.830   8.1647 0.000000 0.000000 
1 1 1    3    0   64 o  205.061   6.2357  115.767   9.7306  115.767   9.7306  115.767   9.7306  205.061   8.8186  205.061   8.8186 0.000000 0.000000 
1 1 1    3    0   65 o  174.109   6.9655   84.234   9.2000   84.234   9.2000   84.234   9.2000  174.109   9.8507  174.109   9.8507 0.000000 0.000000 
1 1 1    3    0   66 o  109.042   10.931   35.474   8.5806   35.474   8.5806   35.474   8.5806  109.042   15.459  109.042   15.459 0.000000 0.000000 
1 1 1    3    0   67 o  133.432   9.5529   51.331   9.5119   51.331   9.5119   51.331   9.5119  133.432   13.510  133.432   13.510 0.000000 0.000000 
1 1 1    3    0   68 o   38.380   16.235   6.3339   8.4725   6.3339   8.4725   6.3339   8.4725   38.380   22.960   38.380   22.960 0.000000 0.000000 
1 1 1    3    0   69 o  151.730   8.4143   65.963   9.6184   65.963   9.6184   65.963   9.6184  151.730   11.900  151.730   11.900 0.000000 0.000000 
1 1 1    3    1    0 o  407.453   5.2992  448.527   11.666  443.458   16.345  453.790   16.656  405.107   7.4667  409.798   7.5217 -4.691956 10.59849 
1 1 1    3    1    2 o  1148.72   16.682  3601.78   99.082  3680.02  124.060  3463.96  164.648  1166.39   19.683  1131.05   26.939 35.33496 33.36417 
1 1 1    3    1    3 o  1458.35   24.545  5772.38  193.422  5792.79  274.508  5752.25  272.583  1460.90   34.773  1455.80   34.650 5.097534 49.09008 
1 1 1    3    1    4 o  946.092   16.075  2423.08   82.147  2382.88  114.176  2466.22  118.280  937.984   22.526  954.201   22.939 -16.21765 32.15057 
1 1 1    3    1    5 o  149.930   3.6532   59.163   2.7347   56.776   3.2591   64.842   5.0273  144.956   4.1608  154.905   6.0060 -9.948486 7.306448 
1 1 1    3    1    6 o  1812.88   21.486  8896.58  210.211  9169.60  306.766  8654.89  288.629  1838.95   30.871  1786.80   29.894 52.15930 42.97248 
1 1 1    3    1    7 o  1408.80   16.730  5373.12  127.355  5393.24  180.814  5353.31  179.410  1411.42   23.708  1406.19   23.611 5.223145 33.45944 
1 1 1    3    1    8 f  828.722   10.007  1856.64   44.802  1879.46   64.137  1834.89   62.609  833.691   14.237  823.754   14.065 9.936951 20.01309 
1 1 1    3    1    9 o  667.334   8.1782  1203.94   29.490  1209.68   41.904  1198.30   41.510  668.911   11.593  665.758   11.538 3.152222 16.35648 
1 1 1    3    1   10 o  273.148   4.0240  201.605   5.9393  202.883   8.4351  200.348   8.3642  274.007   5.6969  272.290   5.6847 1.717865 8.048034 
1 1 1    3    1   11 o  138.186   3.1689   51.597   2.3662   51.701   3.3406   51.492   3.3520  138.326   4.4692  138.046   4.4936 0.2794800 6.337703 
1 1 1    3    1   12 o  379.970   5.0811  390.075   10.431  394.799   14.906  385.542   14.602  382.224   7.2170  377.716   7.1544 4.507294 10.16217 
1 1 1    3    1   13 o  897.786   10.815  2179.14   52.458  2204.26   75.068  2155.16   73.336  902.837   15.387  892.735   15.202 10.10187 21.63039 
1 1 1    3    1   14 o  701.388   8.5813  1329.78   32.520  1341.78   46.402  1318.19   45.590  704.496   12.189  698.280   12.082 6.216125 17.16270 
1 1 1    3    1   15 o  916.077   11.030  2269.82   54.599  2284.91   77.740  2255.12   76.699  919.078   15.653  913.076   15.545 6.002747 22.06075 
1 1 1    3    1   16 o  475.176   6.1089  609.922   15.678  621.706   22.591  598.971   21.777  479.599   8.7169  470.752   8.5609 8.847687 12.21772 
1 1 1    3    1   17 o  1032.67   12.385  2885.19   69.095  2925.65   99.087  2846.89   96.398  1039.70   17.637  1025.64   17.393 14.06628 24.77071 
1 1 1    3    1   18 o  1145.24   13.699  3553.07   84.763  3588.56  121.092  3518.96  118.688  1150.84   19.472  1139.65   19.273 11.18237 27.39731 
1 1 1    3    1   19 o  1246.88   14.903  4218.11  100.385  4279.18  144.078  4160.50  139.943  1255.60   21.235  1238.15   20.917 17.44861 29.80669 
1 1 1    3    1   20 o  663.915   8.1986  1192.22   29.404  1210.27   42.210  1175.20   40.985  668.788   11.680  659.041   11.509 9.747375 16.39728 
1 1 1    3    1   21 o  174.564   3.6911   82.366   3.4814   81.324   4.9359   83.398   4.9112  173.465   5.2658  175.663   5.1739 -2.198563 7.382288 
1 1 1    3    1   22 o  363.909   5.0418  357.721   9.9087  366.623   14.315  349.533   13.729  368.250   7.1938  359.568   7.0661 8.681763 10.08370 
1 1 1    3    1   23 o  496.454   6.3945  666.375   17.150  676.857   24.605  656.472   23.916  500.246   9.1024  492.663   8.9835 7.583405 12.78892 
1 1 1    3    1   24 o  731.206   8.9757  1447.88   35.464  1442.66   49.977  1453.18   50.332  729.880   12.672  732.533   12.715 -2.652527 17.95139 
1 1 1    3    1   25 o  619.740   7.7433  1039.51   25.931  1037.44   36.617  1041.59   36.728  619.122   10.945  620.358   10.956 -1.236328 15.48656 
1 1 1    3    1   26 o  768.310   9.4097  1598.59   39.065  1591.41   55.027  1605.89   55.469  766.574   13.284  770.046   13.331 -3.471924 18.81950 
1 1 1    3    1   27 o   98.796   6.9973   26.388   3.7356   0.0000   0.0000   26.388   3.7356  ?   ?    98.796   6.9973      ?      ? 
1 1 1    3    1   28 o  771.633   9.4543  1611.89   39.421  1608.00   55.624  1615.81   55.875  770.700   13.356  772.566   13.384 -1.866211 18.90851 
1 1 1    3    1   29 o  848.947   10.338  1951.17   47.417  1971.02   67.773  1932.14   66.364  853.166   14.701  844.729   14.539 8.437317 20.67559 
1 1 1    3    1   30 o  787.458   9.6434  1677.91   41.026  1698.14   58.730  1658.62   57.334  792.084   13.722  782.831   13.554 9.253662 19.28684 
1 1 1    3    1   31 o  614.261   9.4401  1023.11   29.686  1014.19   50.792  1027.74   36.586  612.076   15.357  616.446   10.983 -4.369751 18.88020 
1 1 1    3    1   32 o  296.876   9.3426  238.288   14.988  238.288   14.988   0.0000   0.0000  296.876   9.3426  ?   ?       ?      ? 
1 1 1    3    1   34 o  231.838   6.7258  145.285   8.4172  146.419   12.206  144.257   11.623  232.697   9.7075  230.980   9.3119 1.716888 13.45169 
1 1 1    3    1   35 o  569.829   7.3101  878.103   22.508  873.453   31.700  882.831   31.965  568.308   10.323  571.349   10.353 -3.040955 14.62021 
1 1 1    3    1   36 o  292.285   4.9624  230.932   7.8376  229.981   11.074  231.885   11.094  291.683   7.0262  292.888   7.0096 -1.205139 9.924789 
1 1 1    3    1   37 o  1140.63   16.892  3526.92   97.668  3505.15  118.900  3572.07  171.255  1136.53   19.360  1144.73   27.685 -8.205933 33.78326 
1 1 1    3    1   39 f  724.264   12.780  1420.16   50.018   0.0000   0.0000  1420.16   50.018  ?   ?   724.264   12.780      ?      ? 
1 1 1    3    1   40 o  642.021   9.9998  1123.45   32.985  1138.86   40.910  1094.82   55.762  648.632   11.672  635.411   16.240 13.22083 19.99967 
1 1 1    3    1   41 o  535.255   7.1283  775.227   20.617  774.427   29.143  776.029   29.172  534.979   10.081  535.532   10.081 -0.5529785 14.25653 
1 1 1    3    1   42 o  234.799   5.4695  149.085   6.9381  150.511   9.9358  147.727   9.6925  235.893   7.7947  233.706   7.6750 2.187943 10.93907 
1 1 1    3    1   43 o  217.594   5.5658  128.082   6.5425  124.266   9.2225  131.948   9.2829  214.328   7.9630  220.860   7.7782 -6.531403 11.13150 
1 1 1    3    1   44 o  289.866   5.4041  227.008   8.4564  213.781   11.727  241.338   12.206  281.078   7.7207  298.654   7.5634 -17.57614 10.80811 
1 1 1    3    1   45 o  479.958   6.5686  623.887   17.036  623.891   24.157  623.884   24.027  479.956   9.3144  479.959   9.2643 -0.3326416E-02 13.13722 
1 1 1    3    1   46 o  361.879   5.6515  354.434   11.045  358.139   15.917  350.992   15.340  363.692   8.0991  360.065   7.8843 3.627106 11.30300 
1 1 1    3    1   47 o  272.661   5.3154  201.325   7.8314  200.487   11.095  202.157   11.056  272.093   7.5460  273.229   7.4881 -1.135742 10.63084 
1 1 1    3    1   48 o  618.141   7.9661  1038.31   26.606  1045.53   37.919  1031.31   37.342  620.241   11.314  616.042   11.217 4.198730 15.93214 
1 1 1    3    1   49 o  531.690   7.0883  767.915   20.362  777.066   29.097  759.133   28.505  534.780   10.069  528.600   9.9795 6.180603 14.17658 
1 1 1    3    1   50 o  364.993   5.6692  361.359   11.179  364.291   15.998  358.561   15.628  366.428   8.0796  363.558   7.9549 2.869904 11.33848 
1 1 1    3    1   51 o  478.948   6.6004  623.390   17.078  632.078   24.489  615.163   23.828  482.175   9.3988  475.720   9.2695 6.455200 13.20080 
1 1 1    3    1   52 o   60.508   12.412   10.235   4.5080   14.329   6.2835   5.8927   6.4712   70.600   16.727   50.416   18.343 20.18339 24.82445 
1 1 1    3    1   53 o  188.670   5.6758   96.896   5.7792   93.081   8.2672  100.541   8.0821  184.998   8.2699  192.342   7.7761 -7.344131 11.35167 
1 1 1    3    1   54 o  499.776   6.8418  681.584   18.475  672.629   25.894  690.870   26.368  496.445   9.6525  503.107   9.6990 -6.662170 13.68358 
1 1 1    3    1   55 o  134.484   6.8930   49.489   5.0076   50.775   7.0703   48.195   7.0934  136.261   9.6023  132.706   9.8918 3.554657 13.78595 
1 1 1    3    1   56 f  206.921   5.5664  116.653   6.2221  120.354   8.9152  113.138   8.6881  210.124   7.8518  203.718   7.8923 6.406311 11.13280 
1 1 1    3    1   57 o  201.575   5.6619  110.835   6.1617  117.655   8.8649  104.460   8.5704  207.595   7.9026  195.554   8.1104 12.04103 11.32388 
1 1 1    3    1   58 o  158.242   6.2037   68.609   5.3036   69.852   7.5962   67.427   7.4082  159.632   8.8062  156.853   8.7404 2.778488 12.40742 
1 1 1    3    1   59 o   35.886   11.287  -2.7551   4.5970  -7.2832   6.7174   1.2333   6.3044   31.359   14.855   40.413   16.997 -9.053719 22.57387 
1 1 1    3    1   60 o  170.596   8.9101   80.578   8.1621   69.910   10.942   93.964   12.256  157.902   12.823  183.292   12.374 -25.39005 17.82027 
1 1 1    3    1   62 o   58.857   16.130   8.3262   7.4085   5.0968   10.230   11.887   10.743   53.508   22.004   64.206   23.592 -10.69866 32.26077 
1 1 1    3    1   63 o  328.220   5.8478  296.689   10.366  285.474   14.391  308.782   14.944  321.776   8.2764  334.665   8.2636 -12.88882 11.69554 
1 1 1    3    1   64 o  214.353   6.1368  127.404   7.1067  127.361   9.9484  127.448   10.156  214.373   8.5881  214.332   8.7686 0.4142761E-01 12.27367 
1 1 1    3    1   65 o  202.346   6.4708  114.400   7.0696  110.458   10.066  118.237   9.9309  198.743   9.3731  205.949   8.9236 -7.205170 12.94169 
1 1 1    3    1   66 o  302.087   6.0610  254.346   9.8924  253.113   14.090  255.545   13.893  301.275   8.6546  302.899   8.4878 -1.623993 12.12209 
1 1 1    3    1   67 o  156.015   8.1257   69.472   6.8477   67.817   9.7270   71.098   9.6418  154.030   11.686  157.999   11.293 -3.968735 16.25141 
1 1 1    3    1   68 o  208.646   6.7784  124.444   7.6200  112.229   10.447  138.331   11.139  197.487   9.7896  219.806   9.3781 -22.31871 13.55673 
1 1 1    3    1   69 o   64.781   14.185   14.174   6.0659   22.525   8.6838   6.2172   8.4768   80.515   20.039   49.046   20.083 31.46890 28.37061 
1 1 1    3    2    1 o  666.839   8.1865  1202.00   29.498  1209.35   41.925  1194.80   41.512  668.857   11.600  664.822   11.555 4.035461 16.37308 
1 1 1    3    2    3 o  733.346   10.859  1467.43   41.173  1410.14   68.409  1499.97   51.556  721.896   17.537  744.796   12.810 -22.90045 21.71731 
1 1 1    3    2    4 o  970.824   11.654  2549.26   61.130  2573.37   87.202  2525.97   85.719  975.331   16.546  966.317   16.416 9.014465 23.30778 
1 1 1    3    2    6 o  481.681   8.6620  627.039   22.546   0.0000   0.0000  627.039   22.546  ?   ?   481.681   8.6620      ?      ? 
1 1 1    3    2    7 o  1485.24   17.632  5970.83  141.434  5866.89  196.264  6083.12  203.996  1471.83   24.677  1498.64   25.191 -26.80273 35.26360 
1 1 1    3    2    8 o  936.953   11.253  2374.55   56.971  2365.01   80.245  2384.25   80.898  935.057   15.882  938.849   15.946 -3.791321 22.50562 
1 1 1    3    2    9 o  351.466   4.7814  333.796   9.0803  331.316   12.758  336.342   12.927  350.143   6.7427  352.788   6.7811 -2.645569 9.562768 
1 1 1    3    2   10 o  616.248   7.6199  1026.08   25.365  1043.43   36.463  1009.81   35.309  621.291   10.861  611.204   10.691 10.08716 15.23979 
1 1 1    3    2   11 o  1136.26   13.571  3492.99   83.326  3508.09  118.411  3478.17  117.277  1138.69   19.244  1133.83   19.142 4.857544 27.14295 
1 1 1    3    2   12 o  538.891   6.7825  784.078   19.735  804.253   28.605  765.752   27.263  545.497   9.7041  532.284   9.4784 13.21277 13.56507 
1 1 1    3    2   13 o  479.785   6.1407  622.125   15.920  622.395   22.533  621.856   22.497  479.889   8.6893  479.681   8.6793 0.2076111 12.28145 
1 1 1    3    2   14 o  981.017   11.782  2602.22   62.435  2644.13   89.765  2562.94   86.898  988.655   16.803  973.379   16.521 15.27618 23.56422 
1 1 1    3    2   15 o  464.281   5.9875  582.552   15.021  577.980   21.103  587.248   21.385  462.435   8.4449  466.127   8.4901 -3.692017 11.97491 
1 1 1    3    2   16 o  904.304   10.904  2212.18   53.285  2211.17   75.353  2213.19   75.360  904.097   15.424  904.511   15.418 -0.4137573 21.80893 
1 1 1    3    2   17 o  750.608   9.1580  1523.74   37.145  1525.23   52.606  1522.26   52.457  750.974   12.964  750.242   12.939 0.7319336 18.31610 
1 1 1    3    2   18 o  349.406   4.8668  329.505   9.1791  339.914   13.361  320.202   12.632  354.623   6.9724  344.190   6.7919 10.43253 9.733661 
1 1 1    3    2   19 o  635.690   7.8846  1092.93   27.078  1107.41   38.794  1079.18   37.813  639.789   11.221  631.592   11.079 8.196960 15.76917 
1 1 1    3    2   20 o  855.947   10.377  1984.20   47.994  1985.24   67.903  1983.17   67.845  856.170   14.677  855.724   14.672 0.4458618 20.75314 
1 1 1    3    2   21 o  764.314   9.3401  1581.52   38.574  1588.68   54.809  1574.49   54.300  766.025   13.241  762.604   13.177 3.421448 18.68027 
1 1 1    3    2   22 o  364.819   5.0583  359.777   9.9704  362.559   14.236  357.099   13.969  366.201   7.1940  363.436   7.1127 2.764954 10.11655 
1 1 1    3    2   23 o  203.465   3.8719  111.805   4.2549  114.774   6.1352  109.053   5.9061  206.065   5.5098  200.865   5.4413 5.200211 7.743794 
1 1 1    3    2   24 o  397.245   5.4011  426.517   11.590  434.181   16.660  419.331   16.133  400.699   7.6943  393.792   7.5818 6.906860 10.80211 
1 1 1    3    2   25 o  660.417   8.2052  1180.60   29.281  1175.22   41.204  1186.09   41.617  658.899   11.573  661.935   11.635 -3.035278 16.41047 
1 1 1    3    2   26 o  906.821   10.991  2228.59   53.852  2246.41   76.823  2211.37   75.512  910.372   15.616  903.270   15.471 7.102173 21.98216 
1 1 1    3    2   27 f  649.080   8.0836  1140.10   28.351  1133.33   39.893  1147.01   40.300  647.135   11.408  651.024   11.456 -3.889404 16.16711 
1 1 1    3    2   28 o  800.184   9.7823  1733.26   42.292  1715.44   59.234  1751.78   60.405  795.998   13.771  804.370   13.897 -8.372192 19.56461 
1 1 1    3    2   29 o  307.337   4.7234  255.330   7.8441  253.314   11.107  257.336   11.080  306.126   6.7144  308.548   6.6453 -2.421753 9.446875 
1 1 1    3    2   30 o  708.539   10.730  1354.36   38.585  1373.65   67.555  1345.02   47.008  712.015   17.558  705.064   12.338 6.951416 21.45975 
1 1 1    3    2   31 o  835.866   14.420  1893.72   65.123  1915.31   93.038  1872.97   91.186  840.525   20.484  831.207   20.302 9.317688 28.84031 
1 1 1    3    2   32 o  449.448   8.4912  546.356   20.620  543.919   28.924  548.874   29.404  448.432   11.936  450.464   12.080 -2.031860 16.98233 
1 1 1    3    2   33 o  843.893   14.625  1931.06   66.689  1940.77   94.961  1921.62   93.677  845.971   20.773  841.815   20.593 4.156006 29.25071 
1 1 1    3    2   34 o  1185.81   20.213  3825.49  129.487  3869.37  185.499  3783.78  180.835  1192.38   28.790  1179.24   28.379 13.13977 40.42528 
1 1 1    3    2   35 o  271.729   6.0532  196.386   8.1301  207.613   15.093  191.797   9.6497  277.076   10.081  266.382   6.7038 10.69467 12.10635 
1 1 1    3    2   36 o  556.425   8.8241  838.125   25.040  838.724   30.708  836.937   43.258  556.867   10.205  555.984   14.398 0.8834839 17.64818 
1 1 1    3    2   37 o  780.196   9.6341  1647.86   40.608  1665.88   58.119  1630.68   56.763  784.351   13.713  776.041   13.536 8.309692 19.26814 
1 1 1    3    2   38 o  402.408   12.188  438.288   26.502  438.288   26.502   0.0000   0.0000  402.408   12.188  ?   ?       ?      ? 
1 1 1    3    2   39 o  543.964   8.7356  794.480   24.002  819.369   42.585  782.893   29.057  549.974   14.329  537.954   9.9959 12.01984 17.47127 
1 1 1    3    2   40 o  1008.21   12.249  2757.40   66.729  2778.06   95.159  2737.41   93.598  1011.91   17.403  1004.52   17.243 7.393250 24.49881 
1 1 1    3    2   41 o  540.975   8.7813  793.071   24.255  794.127   29.785  790.991   41.788  541.719   10.175  540.232   14.315 1.487183 17.56255 
1 1 1    3    2   42 o  437.983   6.2489  518.904   14.787  526.184   21.132  511.918   20.700  440.991   8.8678  434.976   8.8066 6.015320 12.49777 
1 1 1    3    2   43 o  698.806   8.8055  1323.45   33.250  1328.27   47.227  1318.72   46.820  700.061   12.484  697.551   12.421 2.510803 17.61110 
1 1 1    3    2   44 o  735.428   9.2088  1467.18   36.584  1487.65   52.531  1447.90   50.980  740.380   13.130  730.475   12.915 9.905884 18.41769 
1 1 1    3    2   45 o  608.207   7.8482  1002.78   25.790  1010.95   36.838  994.924   36.117  610.625   11.164  605.790   11.033 4.834167 15.69642 
1 1 1    3    2   46 o  406.688   5.9791  447.455   13.127  458.291   19.068  437.694   18.098  411.349   8.5786  402.026   8.3310 9.322296 11.95820 
1 1 1    3    2   47 o  781.172   9.7393  1659.69   41.074  1702.70   59.626  1620.85   56.663  790.713   13.955  771.631   13.589 19.08124 19.47850 
1 1 1    3    2   48 o  340.051   5.4960  313.348   10.098  310.079   14.349  316.556   14.213  338.284   7.8495  341.818   7.6949 -3.533875 10.99205 
1 1 1    3    2   49 o  180.362   5.8522   88.060   5.6941   91.148   8.3471   85.372   7.7873  183.301   8.4272  177.424   8.1225 5.876801 11.70434 
1 1 1    3    2   50 f  205.473   5.5031  114.466   6.1027  106.890   8.5344  122.394   8.7301  198.500   7.9565  212.446   7.6047 -13.94609 11.00625 
1 1 1    3    2   51 f  116.724   7.5133   37.096   4.7379   37.885   6.7855   36.345   6.6185  117.933   10.648  115.516   10.603 2.417244 15.02668 
1 1 1    3    2   52 o  136.087   6.8647   50.607   5.0323   47.137   7.2232   53.879   7.0149  131.487   10.166  140.687   9.2274 -9.200150 13.72942 
1 1 1    3    2   53 o  423.504   6.1230  488.155   14.012  486.757   19.906  489.529   19.726  422.884   8.7112  424.124   8.6070 -1.239716 12.24602 
1 1 1    3    2   54 o  263.723   5.3737  189.033   7.6514  190.985   11.074  187.249   10.584  264.996   7.7333  262.451   7.4633 2.545319 10.74730 
1 1 1    3    2   55 o  366.570   5.7541  365.998   11.394  355.582   15.867  377.088   16.372  361.192   8.1295  371.948   8.1457 -10.75571 11.50830 
1 1 1    3    2   56 o  153.443   6.5185   64.365   5.4026   65.636   7.7762   63.179   7.5116  154.892   9.2908  151.994   9.1457 2.897751 13.03694 
1 1 1    3    2   57 o  162.061   6.3418   71.779   5.5242   82.432   8.0147   62.136   7.6248  173.594   8.5440  150.527   9.3740 23.06693 12.68356 
1 1 1    3    2   58 o  108.547   9.5396   35.173   5.0318   21.482   7.3202   47.437   6.9281   85.769   16.392  131.325   9.7628 -45.55642 19.07918 
1 1 1    3    2   59 o  148.623   9.4329   62.025   7.5117   72.658   10.822   52.140   10.435  161.294   12.417  135.953   14.204 25.34071 18.86586 
1 1 1    3    2   60 o   43.755   13.703  -2.1169   6.5407   1.6214   9.1594  -6.0068   9.3433   47.642   20.283   39.868   18.433 7.774097 27.40698 
1 1 1    3    2   61 o  273.559   12.097  210.000   17.882  210.000   17.882   0.0000   0.0000  273.559   12.097  ?   ?       ?      ? 
1 1 1    3    2   62 o   96.948   15.220   29.589   7.7467   31.126   11.442   28.288   10.526   99.051   21.955   94.845   21.084 4.205719 30.43951 
1 1 1    3    2   63 o   57.236   15.572   8.1622   6.3314   8.4685   11.911   8.0415   7.4749   60.154   24.104   54.318   19.721 5.835690 31.14402 
1 1 1    3    2   64 o  135.639   7.8698   51.900   5.7548   51.337   8.3976   52.399   7.9021  134.736   11.534  136.542   10.710 -1.806244 15.73966 
1 1 1    3    2   65 o   53.492   13.329   6.8809   5.4829  -1.0573   7.8182   14.564   7.6914   39.905   17.811   67.080   19.834 -27.17498 26.65727 
1 1 1    3    2   66 o  161.296   7.6150   73.698   6.6317   75.086   9.6064   72.434   9.1664  162.632   10.931  159.960   10.605 2.671371 15.22996 
1 1 1    3    2   67 o   89.939   12.953   25.648   6.0782   24.965   8.7207   26.294   8.4761   88.368   18.839   91.510   17.782 -3.142265 25.90537 
1 1 1    3    2   68 o  173.522   7.4296   87.368   6.9640   90.513   9.9263   84.320   9.7725  176.724   10.395  170.320   10.618 6.403824 14.85911 
1 1 1    3    2   69 o  115.157   10.442   40.699   6.3904   50.099   9.3021   32.298   8.7941  129.023   13.342  101.291   16.067 27.73280 20.88446 
1 1 1    3    3    0 o  764.945   9.2992  1581.81   38.430  1562.48   53.681  1602.13   55.041  760.157   13.069  769.733   13.233 -9.575989 18.59831 
1 1 1    3    3    2 o  768.538   9.3481  1596.02   38.803  1626.50   55.944  1567.76   53.866  775.601   13.348  761.476   13.091 14.12427 18.69622 
1 1 1    3    3    3 o  427.429   6.7571  499.366   14.975  473.423   24.634  514.571   18.859  418.502   10.893  436.355   7.9982 -17.85352 13.51421 
1 1 1    3    3    4 o  1204.55   14.397  3925.29   93.691  3964.19  134.013  3888.10  131.034  1210.38   20.490  1198.73   20.229 11.64966 28.79321 
1 1 1    3    3    8 o  1199.78   14.308  3896.46   92.756  3922.17  132.116  3871.46  130.257  1203.67   20.312  1195.88   20.157 7.787354 28.61625 
1 1 1    3    3    9 o  391.826   7.3713  414.904   15.607   0.0000   0.0000  414.904   15.607  ?   ?   391.826   7.3713      ?      ? 
1 1 1    3    3   10 o  468.598   6.0166  593.434   15.235  594.965   21.609  591.921   21.481  469.199   8.5230  467.997   8.4944 1.201508 12.03315 
1 1 1    3    3   11 f  245.186   3.8638  162.366   5.1179  158.852   7.1437  166.072   7.3357  242.462   5.4524  247.911   5.4759 -5.448349 7.727524 
1 1 1    3    3   12 o  409.877   5.4191  453.798   11.998  461.350   17.249  446.720   16.700  413.178   7.7255  406.576   7.6014 6.602478 10.83811 
1 1 1    3    3   13 o  443.596   5.7706  531.794   13.832  533.440   19.633  530.171   19.491  444.277   8.1778  442.914   8.1438 1.362701 11.54113 
1 1 1    3    3   14 o  605.961   7.5367  992.588   24.678  996.037   35.043  989.196   34.757  607.004   10.684  604.918   10.633 2.086609 15.07338 
1 1 1    3    3   15 o  604.473   7.5223  987.734   24.569  993.070   34.950  982.520   34.547  606.086   10.671  602.860   10.605 3.225891 15.04461 
1 1 1    3    3   16 o  971.137   11.673  2550.99   61.242  2516.34   85.427  2587.63   87.843  964.364   16.393  977.909   16.623 -13.54523 23.34690 
1 1 1    3    3   17 o  433.828   5.7105  508.728   13.387  509.159   18.983  508.301   18.881  434.010   8.0943  433.645   8.0575 0.3650818 11.42109 
1 1 1    3    3   18 o  774.759   9.4485  1624.55   39.556  1618.95   55.775  1630.22   56.108  773.417   13.346  776.101   13.379 -2.684082 18.89706 
1 1 1    3    3   19 o  198.166   3.7541  106.133   4.0199  105.808   5.6965  106.457   5.6737  197.862   5.3279  198.469   5.2904 -0.6064758 7.508290 
1 1 1    3    3   20 o  285.030   4.3459  219.062   6.6842  229.772   9.7738  209.651   9.1617  291.558   6.2037  278.502   6.0878 13.05618 8.691804 
1 1 1    3    3   21 o  736.041   9.0244  1466.47   35.890  1476.79   51.123  1456.45   50.399  738.587   12.809  733.494   12.716 5.092651 18.04889 
1 1 1    3    3   22 o  555.778   7.0322  835.562   21.118  840.625   30.052  830.622   29.683  557.439   9.9766  554.117   9.9133 3.321960 14.06437 
1 1 1    3    3   23 f  623.566   7.7859  1052.02   26.230  1038.18   36.646  1066.56   37.560  619.367   10.949  627.766   11.072 -8.398499 15.57181 
1 1 1    3    3   24 o  1047.77   12.620  2980.10   71.449  2981.72  101.115  2978.49  100.975  1048.05   17.854  1047.49   17.839 0.5634766 25.23915 
1 1 1    3    3   25 o  603.746   7.5801  986.242   24.727  995.614   35.303  977.216   34.644  606.557   10.771  600.935   10.669 5.621338 15.16016 
1 1 1    3    3   26 o  674.508   8.3654  1230.66   30.475  1206.68   42.300  1256.54   43.945  667.692   11.724  681.324   11.936 -13.63245 16.73087 
1 1 1    3    3   27 o  362.874   5.1351  355.821   10.067  348.185   14.043  363.892   14.438  358.872   7.2417  366.876   7.2826 -8.003815 10.27025 
1 1 1    3    3   28 o  377.987   5.2979  386.081   10.817  392.151   15.554  380.395   15.053  380.861   7.5577  375.113   7.4265 5.748199 10.59583 
1 1 1    3    3   29 o  952.195   14.111  2457.95   68.434  2463.96  118.623  2454.96   83.781  952.434   23.049  951.955   16.287 0.4797974 28.22246 
1 1 1    3    3   30 o  691.659   12.095  1293.96   45.152  1258.78   62.044  1333.56   65.833  681.709   16.843  701.609   17.364 -19.89996 24.19098 
1 1 1    3    3   31 o  985.783   16.848  2636.97   89.736  2614.86  125.757  2659.91  128.087  981.596   23.709  989.971   23.944 -8.375000 33.69603 
1 1 1    3    3   32 o  615.598   7.7681  1024.24   25.828  1044.06   37.234  1005.87   35.857  621.328   11.090  609.869   10.880 11.45905 15.53614 
1 1 1    3    3   33 o  665.536   11.848  1199.62   42.606  1202.93   60.663  1196.40   59.853  666.433   16.845  664.639   16.665 1.794312 23.69574 
1 1 1    3    3   34 o  629.423   11.309  1072.31   38.444  1087.84   55.388  1057.88   53.402  633.800   16.172  625.045   15.811 8.755310 22.61713 
1 1 1    3    3   35 o  787.100   13.772  1679.24   58.558  1697.30   84.002  1662.16   81.673  791.192   19.648  783.008   19.303 8.183777 27.54360 
1 1 1    3    3   36 o  455.847   7.6586  559.796   17.732  555.367   21.612  568.919   31.017  453.194   8.8254  458.500   12.519 -5.306824 15.31712 
1 1 1    3    3   37 f  285.596   6.4052  217.657   9.0066  227.703   16.792  213.600   10.671  290.104   10.712  281.088   7.0257 9.016541 12.81042 
1 1 1    3    3   38 o  170.456   8.8176   78.575   8.1217   78.575   8.1217   0.0000   0.0000  170.456   8.8176  ?   ?       ?      ? 
1 1 1    3    3   39 o  292.229   5.4656  230.977   8.6172  214.449   12.101  247.983   12.274  281.612   7.9518  302.845   7.5006 -21.23288 10.93110 
1 1 1    3    3   40 f  518.857   8.4729  727.967   22.431  731.306   38.770  726.287   27.501  519.583   13.809  518.130   9.8223 1.453064 16.94586 
1 1 1    3    3   41 o  544.139   8.8230  803.681   24.622  807.387   30.405  796.622   41.967  546.183   10.302  542.094   14.327 4.088623 17.64610 
1 1 1    3    3   42 f  981.751   14.647  2638.17   73.872  2670.06   91.595  2578.83  124.949  991.487   17.096  972.014   23.789 19.47351 29.29477 
1 1 1    3    3   43 o  100.191   9.4351   27.210   5.1068   27.936   7.3217   26.523   7.1264  101.491   13.350   98.891   13.336 2.599892 18.87023 
1 1 1    3    3   44 o  459.660   6.4268  572.058   15.961  574.709   22.776  569.500   22.375  460.700   9.1488  458.621   9.0285 2.079376 12.85360 
1 1 1    3    3   45 o  322.147   5.5156  280.899   9.5974  280.345   13.767  281.422   13.386  321.829   7.9164  322.464   7.6823 -0.6346130 11.03121 
1 1 1    3    3   46 f  287.736   5.4041  223.271   8.3761  234.758   12.452  213.779   11.320  294.454   7.8261  281.017   7.4545 13.43689 10.80817 
1 1 1    3    3   47 o  519.562   6.9629  732.308   19.548  727.614   27.640  737.007   27.651  517.889   9.8768  521.234   9.8172 -3.344849 13.92582 
1 1 1    3    3   48 o  366.666   5.6887  363.788   11.256  375.223   16.437  353.690   15.447  372.064   8.1754  361.267   7.9125 10.79715 11.37741 
1 1 1    3    3   49 f   60.001   12.921   10.009   4.5487   9.2590   7.0001   10.557   5.9843   58.843   19.177   61.158   17.321 -2.315193 25.84143 
1 1 1    3    3   50 o  389.599   5.8595  411.852   12.331  414.185   17.694  409.648   17.195  390.652   8.3820  388.547   8.1899 2.105957 11.71893 
1 1 1    3    3   51 o  248.503   5.3150  167.628   7.1326  164.994   10.222  170.129   9.9575  246.578   7.6715  250.429   7.3583 -3.851425 10.62998 
1 1 1    3    3   52 o  217.107   5.4278  126.713   6.3347  144.169   9.5214  112.849   8.4852  230.389   7.6480  203.825   7.7040 26.56367 10.85563 
1 1 1    3    3   53 o  301.925   5.4272  247.651   8.8499  236.701   12.400  259.020   12.635  295.102   7.7760  308.749   7.5731 -13.64682 10.85438 
1 1 1    3    3   54 o  350.217   5.6607  333.831   10.707  332.855   15.369  334.750   14.926  349.679   8.1336  350.755   7.8751 -1.076294 11.32132 
1 1 1    3    3   55 o   81.260   11.145   19.123   4.7266   16.335   7.1187   21.322   6.3211   74.735   17.869   87.786   13.325 -13.05138 22.29068 
1 1 1    3    3   56 o  140.179   6.8490   53.746   5.1835   56.790   7.4892   50.946   7.1817  143.995   9.6250  136.362   9.7464 7.633118 13.69796 
1 1 1    3    3   57 o   89.121   10.419   22.845   4.8261   18.730   6.9004   26.786   6.7523   80.056   16.500   98.187   12.727 -18.13127 20.83768 
1 1 1    3    3   58 o  177.765   8.2481   87.637   7.9193   86.486   11.325   88.739   11.079  176.542   11.871  178.989   11.454 -2.446686 16.49625 
1 1 1    3    3   59 o   58.337   14.444   6.8984   6.3737  -1.8113   8.7374   16.804   9.3180   42.629   18.940   74.045   21.813 -31.41566 28.88853 
1 1 1    3    3   60 o  128.970   9.2160   47.661   6.1826   50.746   7.9233   42.860   9.8856  135.177   10.847  122.763   14.902 12.41382 18.43193 
1 1 1    3    3   61 o  105.688   11.980   33.333   6.2752   34.448   7.7982   31.284   10.570  110.419   13.070  100.957   20.082 9.462090 23.96045 
1 1 1    3    3   62 o   85.056   16.930   23.788   8.0951   22.441   12.367   24.797   10.708   82.278   25.330   87.835   22.469 -5.556824 33.85976 
1 1 1    3    3   63 o  204.109   9.0628  118.522   9.9483  114.347   14.625  122.117   13.572  200.206   13.518  208.012   12.075 -7.806244 18.12562 
1 1 1    3    3   64 o   67.249   14.191   14.180   5.5316   16.189   8.3111   12.583   7.4117   71.100   20.503   63.398   19.625 7.701759 28.38136 
1 1 1    3    3   65 o   54.955   13.079   7.4947   5.5156  -2.2630   7.9898   16.378   7.6236   38.851   17.614   71.060   19.338 -32.20943 26.15737 
1 1 1    3    3   66 o   54.507   13.456   7.3487   5.7501  -2.3325   8.5110   15.479   7.7993   40.053   18.167   68.960   19.855 -28.90696 26.91215 
1 1 1    3    3   67 o   75.637   14.200   18.993   6.0532   24.086   8.6004   13.993   8.5212   86.390   18.945   64.883   21.159 21.50705 28.40050 
1 1 1    3    3   68 o  185.222   7.1910   99.036   7.1799   95.768   10.397  102.016   9.9272  181.816   10.582  188.628   9.7394 -6.811859 14.38202 
1 1 1    3    3   69 o   84.235   13.670   24.524   6.0919   26.111   8.7578   23.036   8.4794   87.189   19.115   81.281   19.546 5.908638 27.33916 
1 1 1    3    4    3 o  627.592   9.4476  1073.78   30.621  1034.23   51.044  1096.02   38.272  618.424   15.275  636.761   11.123 -18.33759 18.89528 
1 1 1    3    4    4 o  495.368   6.3327  662.777   16.943  676.675   24.435  649.908   23.513  500.365   9.0372  490.371   8.8735 9.993378 12.66537 
1 1 1    3    4    5 o  752.589   9.1848  1530.39   37.332  1563.00   53.872  1500.26   51.781  760.291   13.113  744.886   12.865 15.40527 18.36968 
1 1 1    3    4    7 o  719.839   8.8066  1400.71   34.250  1416.07   48.970  1386.00   47.921  723.699   12.522  715.979   12.386 7.719971 17.61325 
1 1 1    3    4    8 o  583.867   10.308  921.456   32.521   0.0000   0.0000  921.456   32.521  ?   ?   583.867   10.308      ?      ? 
1 1 1    3    4    9 o  1724.52   20.459  8059.61  190.634  8118.39  271.734  8002.65  267.511  1730.69   29.056  1718.35   28.810 12.33594 40.91779 
1 1 1    3    4   10 o  666.716   8.2108  1200.78   29.565  1225.27   42.655  1178.13   41.016  673.252   11.725  660.181   11.498 13.07037 16.42157 
1 1 1    3    4   11 o  417.209   5.5186  469.444   12.424  487.569   18.172  453.536   17.023  424.754   7.9171  409.665   7.6901 15.08932 11.03716 
1 1 1    3    4   12 o  865.981   10.465  2027.93   48.971  2034.65   69.504  2021.31   69.010  867.404   14.829  864.558   14.772 2.845642 20.93060 
1 1 1    3    4   13 o  969.945   11.665  2545.06   61.138  2540.94   86.307  2549.22   86.618  969.158   16.480  970.732   16.513 -1.574524 23.32964 
1 1 1    3    4   14 o  481.751   6.2033  627.219   16.147  621.107   22.667  633.517   23.008  479.368   8.7506  484.133   8.7948 -4.764526 12.40651 
1 1 1    3    4   15 o  973.068   11.709  2561.94   61.569  2559.82   87.049  2564.07   87.094  972.664   16.562  973.472   16.557 -0.8079834 23.41852 
1 1 1    3    4   16 o  641.491   7.9621  1112.64   27.599  1104.17   38.829  1121.29   39.235  639.024   11.245  643.958   11.275 -4.933655 15.92417 
1 1 1    3    4   17 o  589.560   7.3817  939.992   23.516  935.912   33.139  944.131   33.376  588.273   10.425  590.848   10.454 -2.575500 14.76341 
1 1 1    3    4   18 o  1033.76   12.434  2896.74   69.457  2885.36   97.863  2908.29   98.594  1031.72   17.554  1035.80   17.615 -4.080322 24.86823 
1 1 1    3    4   19 o  418.124   5.5795  472.561   12.604  466.141   17.634  479.267   18.022  415.222   7.8595  421.026   7.9215 -5.803314 11.15896 
1 1 1    3    4   20 o  340.245   4.8435  312.907   8.9044  309.238   12.495  316.692   12.693  338.219   6.8368  342.271   6.8627 -4.051636 9.687057 
1 1 1    3    4   21 o  432.502   5.7472  505.662   13.429  512.886   19.232  498.789   18.759  435.513   8.1723  429.490   8.0829 6.023438 11.49434 
1 1 1    3    4   22 o  262.869   4.2595  186.648   6.0481  180.418   8.4276  193.265   8.6849  258.348   6.0369  267.389   6.0108 -9.040588 8.519003 
1 1 1    3    4   23 o  663.863   8.2412  1192.95   29.562  1182.72   41.497  1203.48   42.123  660.980   11.618  666.747   11.692 -5.766846 16.48248 
1 1 1    3    4   24 o  506.619   6.5460  694.179   17.918  686.089   25.095  702.591   25.591  503.611   9.2217  509.626   9.2929 -6.015717 13.09191 
1 1 1    3    4   25 o  899.813   10.918  2192.64   53.049  2147.00   73.411  2242.52   76.746  890.054   15.264  909.572   15.615 -19.51770 21.83564 
1 1 1    3    4   26 o  101.805   4.9761   27.963   2.7227   32.176   3.9505   24.151   3.7578  109.097   6.7011   94.512   7.3581 14.58486 9.952176 
1 1 1    3    4   27 o  678.865   8.4277  1247.04   30.914  1238.44   43.450  1255.86   43.994  676.497   11.886  681.234   11.951 -4.736023 16.85543 
1 1 1    3    4   28 o  514.347   9.3211  715.832   25.902  727.252   37.085  704.955   36.192  518.347   13.240  510.347   13.124 8.000000 18.64220 
1 1 1    3    4   29 o  1473.93   25.021  5940.17  199.281  5961.71  282.794  5918.92  280.869  1476.55   35.443  1471.30   35.328 5.251709 50.04262 
1 1 1    3    4   30 o  777.989   13.469  1639.81   56.609  1618.47   78.959  1662.39   81.202  772.799   18.908  783.179   19.187 -10.38000 26.93824 
1 1 1    3    4   31 o  460.237   6.1695  572.630   15.343  573.634   21.759  571.636   21.638  460.638   8.7415  459.836   8.7083 0.8019409 12.33892 
1 1 1    3    4   32 o  189.807   4.6453   97.374   4.7608   97.358   6.8688   97.388   6.6045  189.792   6.6976  189.823   6.4387 -0.3170776E-01 9.290570 
1 1 1    3    4   33 o  248.986   6.8701  167.683   9.2395  162.230   13.070  173.131   13.063  244.935   9.8753  253.037   9.5536 -8.102249 13.74017 
1 1 1    3    4   34 o  226.711   7.1499  138.683   8.7322  142.793   12.942  135.248   11.831  229.781   10.423  223.641   9.7902 6.140442 14.29975 
1 1 1    3    4   35 o  1544.76   26.293  6531.59  219.450  6587.84  313.388  6477.48  307.396  1551.18   37.388  1538.35   36.979 12.82678 52.58626 
1 1 1    3    4   36 o  355.034   6.8339  341.811   12.160  338.513   21.677  343.326   14.688  353.712   11.341  356.356   7.6278 -2.644073 13.66780 
1 1 1    3    4   37 o  429.909   7.5758  503.138   16.478  491.216   28.750  508.970   20.108  425.985   12.490  433.833   8.5776 -7.847382 15.15159 
1 1 1    3    4   38 o  738.676   9.2074  1476.99   36.748  1461.93   51.499  1492.62   52.452  734.846   12.969  742.506   13.073 -7.660339 18.41477 
1 1 1    3    4   39 o  422.363   6.1067  481.964   13.930  466.221   19.322  499.000   20.100  415.190   8.6123  429.536   8.6600 -14.34564 12.21339 
1 1 1    3    4   40 o  627.423   9.8166  1062.81   31.334  1077.25   54.592  1055.71   38.265  630.313   16.028  624.534   11.339 5.779358 19.63319 
1 1 1    3    4   41 o  725.844   11.110  1427.78   41.087  1434.91   71.214  1424.22   50.304  726.686   18.136  725.002   12.840 1.683594 22.22097 
1 1 1    3    4   42 o  235.176   6.5667  149.212   8.0454  147.971   10.094  151.374   13.322  233.887   7.9869  236.465   10.426 -2.577484 13.13331 
1 1 1    3    4   43 o  615.140   9.6962  1026.42   30.448  1025.54   37.367  1028.15   52.523  615.188   11.241  615.093   15.802 0.9558105E-01 19.39233 
1 1 1    3    4   44 o  739.628   9.2678  1484.67   37.036  1495.26   52.854  1474.44   51.914  742.202   13.178  737.054   13.035 5.148376 18.53567 
1 1 1    3    4   45 o  452.153   6.3815  551.365   15.544  582.923   23.102  525.258   21.013  463.901   9.2159  440.404   8.8295 23.49710 12.76296 
1 1 1    3    4   46 o  383.559   5.8141  397.597   12.028  412.309   17.666  384.883   16.423  390.140   8.3797  376.977   8.0620 13.16251 11.62821 
1 1 1    3    4   47 o  116.121   8.0659   36.172   5.0223   43.076   7.5600   30.717   6.7194  125.931   11.110  106.312   11.697 19.61948 16.13186 
1 1 1    3    4   48 o  112.525   8.3460   34.265   4.9316   46.412   7.3367   24.253   6.6609  130.711   10.387   94.340   13.066 36.37091 16.69203 
1 1 1    3    4   49 o  303.770   5.4096  249.877   8.8701  257.361   12.910  243.186   12.208  308.056   7.7556  299.483   7.5435 8.573181 10.81915 
1 1 1    3    4   50 o  359.378   5.6527  350.422   10.977  347.658   15.561  353.161   15.487  357.957   8.0446  360.798   7.9434 -2.840820 11.30550 
1 1 1    3    4   51 o   66.313   12.327   12.598   4.4696   12.627   6.5215   12.572   6.1379   66.399   17.809   66.227   17.050 0.1720810 24.65453 
1 1 1    3    4   52 o  177.740   5.8764   85.990   5.6349   84.154   8.1517   87.669   7.7980  175.885   8.5769  179.595   8.0352 -3.710129 11.75282 
1 1 1    3    4   53 o  228.080   5.4260  140.928   6.6709  147.760   9.8609  135.163   9.0584  233.133   7.8275  223.027   7.5163 10.10538 10.85197 
1 1 1    3    4   54 o  271.097   5.3619  199.861   7.8468  201.525   11.375  198.349   10.839  272.136   7.7351  270.058   7.4274 2.078003 10.72373 
1 1 1    3    4   55 o   72.342   11.624   15.084   4.4997   20.155   6.5878   10.650   6.1607   83.898   15.086   60.787   17.688 23.11117 23.24776 
1 1 1    3    4   56 o  189.538   5.8317   98.301   5.9582   92.584   8.5476  103.704   8.3098  184.082   8.5930  194.994   7.8864 -10.91217 11.66338 
1 1 1    3    4   57 o   34.311   11.330  -5.7071   5.0183 -10.6216   8.8347  -3.3661   6.0975   35.087   16.739   33.536   15.275 1.550774 22.66064 
1 1 1    3    4   58 o  121.036   10.300   41.290   6.7115   45.608   9.5476   37.072   9.4364  127.533   13.854  114.540   15.246 12.99232 20.60065 
1 1 1    3    4   59 o  135.505   9.8388   51.782   7.1863   56.261   10.225   47.410   10.102  141.514   13.371  129.495   14.437 12.01823 19.67764 
1 1 1    3    4   60 o  100.395   9.3504   28.452   5.0014   34.604   7.2136   22.757   6.9405  111.234   12.001   89.557   14.342 21.67741 18.70082 
1 1 1    3    4   61 o  172.359   6.5370   82.814   6.0319   71.946   8.6790   92.968   8.3892  161.006   9.9756  183.712   8.4507 -22.70566 13.07393 
1 1 1    3    4   62 o  148.629   11.185   62.388   8.8514   75.495   14.050   53.761   11.398  160.997   16.149  136.261   15.480 24.73581 22.37022 
1 1 1    3    4   63 o   61.278   16.520   10.265   7.5647   10.689   11.280   9.9189   10.198   62.354   23.902   60.201   22.810 2.153336 33.03941 
1 1 1    3    4   64 o   53.595   13.811   7.7810   5.3898   3.9646   8.0202   10.924   7.2784   47.516   19.505   59.673   19.559 -12.15728 27.62260 
1 1 1    3    4   65 o  192.129   6.5343  102.545   6.7473  113.085   10.211   94.376   8.9893  200.676   9.4168  183.583   9.0616 17.09322 13.06859 
1 1 1    3    4   66 o   56.729   13.175   7.1696   5.7246   18.739   8.2824  -3.4135   7.9214   75.883   19.939   37.575   17.227 38.30767 26.34981 
1 1 1    3    4   67 o  114.384   10.160   38.746   6.2203   46.470   9.1794   32.188   8.4583  125.456   13.540  103.312   15.151 22.14384 20.31993 
1 1 1    3    4   68 o  177.702   7.3161   90.556   6.9759  105.411   10.130   77.159   9.6203  192.123   9.7578  163.282   10.903 28.84143 14.63213 
1 1 1    3    4   69 o   88.403   13.086   26.671   6.0494   28.590   8.7219   24.891   8.3977   91.857   18.215   84.949   18.792 6.907784 26.17135 
1 1 1    3    5    0 f  602.673   7.5238  980.467   24.476  1010.30   35.635  953.822   33.675  611.336   10.787  594.011   10.491 17.32544 15.04761 
1 1 1    3    5    3 o  979.027   16.643  2593.12   88.045   0.0000   0.0000  2593.12   88.045  ?   ?   979.027   16.643      ?      ? 
1 1 1    3    5    4 o  788.484   19.202  1682.66   81.814  1682.66   81.814   0.0000   0.0000  788.484   19.202  ?   ?       ?      ? 
1 1 1    3    5   11 o  431.201   5.6938  502.228   13.261  511.487   19.092  493.596   18.434  435.038   8.1215  427.364   7.9824 7.674042 11.38763 
1 1 1    3    5   12 f  1342.82   22.631  4883.68  164.213   0.0000   0.0000  4883.68  164.213  ?   ?   1342.82   22.631      ?      ? 
1 1 1    3    5   13 o  735.769   9.0105  1463.86   35.824  1460.51   50.592  1467.23   50.734  734.925   12.739  736.613   12.746 -1.688538 18.02094 
1 1 1    3    5   14 o  994.780   11.959  2677.26   64.275  2650.91   90.009  2704.69   91.815  989.793   16.829  999.767   16.995 -9.974731 23.91746 
1 1 1    3    5   15 o  385.651   5.2698  401.874   10.980  395.501   15.382  408.495   15.679  382.534   7.4416  388.767   7.4635 -6.232910 10.53956 
1 1 1    3    5   16 o  683.039   8.4306  1261.19   31.100  1236.23   43.146  1288.18   44.870  676.018   11.811  690.060   12.033 -14.04297 16.86127 
1 1 1    3    5   17 o  486.353   6.2938  639.604   16.540  641.709   23.504  637.538   23.280  487.145   8.9287  485.561   8.8727 1.583435 12.58756 
1 1 1    3    5   18 o  1066.39   12.820  3081.13   73.828  3019.01  102.240  3148.82  106.721  1055.21   17.931  1077.57   18.328 -22.36243 25.64039 
1 1 1    3    5   19 o  728.538   8.9507  1435.96   35.222  1461.28   50.700  1412.34   48.968  734.730   12.770  722.346   12.545 12.38477 17.90139 
1 1 1    3    5   20 o  830.578   10.110  1868.53   45.373  1862.78   63.993  1874.34   64.342  829.295   14.280  831.861   14.314 -2.565735 20.21910 
1 1 1    3    5   21 o  560.927   7.1078  851.116   21.542  843.803   30.235  858.657   30.702  558.482   10.019  563.372   10.085 -4.889465 14.21557 
1 1 1    3    5   22 o  141.319   4.0906   53.809   3.1165   59.240   4.5407   48.971   4.2853  148.040   5.6762  134.597   5.8919 13.44249 8.181284 
1 1 1    3    5   23 o  679.577   8.4234  1250.30   30.931  1241.88   43.486  1258.92   44.005  677.265   11.882  681.888   11.943 -4.623169 16.84686 
1 1 1    3    5   24 o  384.985   5.3429  400.732   11.115  396.991   15.647  404.541   15.791  383.171   7.5571  386.798   7.5550 -3.626526 10.68587 
1 1 1    3    5   25 o  639.681   7.9971  1107.11   27.638  1092.50   38.622  1122.44   39.566  635.365   11.249  643.998   11.370 -8.633606 15.99421 
1 1 1    3    5   26 o  544.801   8.4881  801.122   23.584  809.910   40.865  796.733   28.879  546.882   13.828  542.720   9.8474 4.161804 16.97623 
1 1 1    3    5   27 o  591.946   10.497  948.539   33.567  964.189   48.185  933.784   46.786  596.678   14.945  587.213   14.745 9.465027 20.99400 
1 1 1    3    5   28 o  724.224   12.590  1420.93   49.251  1446.17   70.828  1397.30   68.532  730.430   17.945  718.017   17.663 12.41248 25.17949 
1 1 1    3    5   29 o  995.811   14.743  2683.79   74.617  2672.30   91.097  2707.21  130.072  993.235   16.973  998.387   24.110 -5.152710 29.48540 
1 1 1    3    5   30 o  519.857   6.7808  730.700   19.048  732.035   27.027  729.382   26.850  520.328   9.6123  519.386   9.5668 0.9418945 13.56168 
1 1 1    3    5   31 o  1071.73   12.908  3111.09   74.745  3137.53  106.655  3085.57  104.782  1076.19   18.340  1067.27   18.169 8.922119 25.81594 
1 1 1    3    5   32 o  1312.94   15.720  4677.31  111.531  4682.44  157.920  4672.19  157.539  1313.66   22.247  1312.23   22.217 1.431763 31.44084 
1 1 1    3    5   33 o  273.536   7.3316  202.012   10.820  208.086   15.832  196.689   14.822  277.382   10.563  269.689   10.171 7.693146 14.66329 
1 1 1    3    5   34 o  1212.18   20.704  3998.00  135.536  4076.58  195.773  3925.68  187.828  1223.51   29.611  1200.86   28.945 22.64893 41.40854 
1 1 1    3    5   35 o  869.746   13.070  2060.71   58.171  2020.05   99.301  2081.96   71.776  862.690   21.302  876.803   15.149 -14.11316 26.13914 
1 1 1    3    5   36 o  475.750   8.0852  618.099   19.546  595.721   33.700  629.444   23.994  469.072   13.295  482.428   9.2042 -13.35605 16.17048 
1 1 1    3    5   37 o  746.536   9.2945  1508.82   37.493  1500.44   52.803  1517.34   53.247  744.447   13.126  748.625   13.163 -4.177979 18.58897 
1 1 1    3    5   38 o  1026.93   12.460  2859.99   69.131  2887.14   98.813  2833.95   96.752  1031.68   17.725  1022.18   17.516 9.499207 24.91972 
1 1 1    3    5   39 o  269.353   5.4851  195.908   7.9774  203.385   11.560  189.109   11.023  274.252   7.8003  264.453   7.7137 9.798126 10.97023 
1 1 1    3    5   40 f  687.992   8.7091  1281.73   32.377  1281.38   45.883  1282.08   45.695  687.893   12.344  688.090   12.289 -0.1974487 17.41829 
1 1 1    3    5   41 o  782.763   11.876  1663.32   47.419  1665.77   81.913  1662.08   58.155  782.539   19.371  782.987   13.745 -0.4490967 23.75230 
1 1 1    3    5   42 o  855.914   12.898  1989.32   56.226  2000.22   97.514  1983.90   68.818  856.757   21.063  855.071   14.894 1.686157 25.79696 
1 1 1    3    5   43 o  762.665   11.639  1588.13   45.569  1601.35   56.400  1563.29   77.336  768.075   13.589  757.254   18.900 10.82135 23.27782 
1 1 1    3    5   44 o  490.454   6.7290  651.487   17.833  646.141   25.075  656.958   25.367  488.420   9.5006  492.487   9.5319 -4.066956 13.45802 
1 1 1    3    5   45 f  214.032   5.6008  124.077   6.4684  122.815   9.3747  125.224   8.9365  212.980   8.1457  215.083   7.6891 -2.103271 11.20154 
1 1 1    3    5   46 o  296.576   5.3837  237.490   8.6114  249.204   12.665  227.420   11.744  303.347   7.7265  289.805   7.4991 13.54187 10.76731 
1 1 1    3    5   47 o  200.420   5.6444  109.018   6.0948  106.277   8.9043  111.434   8.3602  198.021   8.3215  202.819   7.6282 -4.797348 11.28877 
1 1 1    3    5   48 o  461.328   6.4757  577.617   16.142  572.407   22.827  582.829   22.831  459.237   9.1985  463.418   9.1173 -4.180267 12.95135 
1 1 1    3    5   49 o  615.128   7.9731  1030.48   26.497  1039.43   37.903  1021.92   37.057  617.706   11.355  612.550   11.195 5.155212 15.94622 
1 1 1    3    5   50 o  137.387   6.7568   51.476   5.0000   48.301   7.2094   54.418   6.9405  133.251   10.013  141.523   9.0755 -8.272614 13.51357 
1 1 1    3    5   51 o  179.864   5.8381   88.032   5.6579   86.050   8.2680   89.777   7.7591  177.914   8.6001  181.813   7.8976 -3.899216 11.67625 
1 1 1    3    5   52 o  126.617   7.3616   44.046   4.9937   41.145   7.4123   46.456   6.7574  122.676   11.182  130.557   9.5784 -7.881538 14.72326 
1 1 1    3    5   53 o   99.799   9.0310   27.620   4.8162   25.239   7.1654   29.581   6.5047   95.692   13.857  103.907   11.585 -8.213966 18.06196 
1 1 1    3    5   54 o  182.033   5.8735   89.813   5.7592   96.710   8.5701   84.133   7.7771  188.349   8.4205  175.717   8.1906 12.63138 11.74690 
1 1 1    3    5   55 o  163.199   6.1970   72.249   5.4455   78.918   8.1268   66.814   7.3360  169.971   8.8482  156.427   8.6788 13.54424 12.39409 
1 1 1    3    5   56 o   92.269   11.441   22.083   5.3553   34.167   9.3069   16.102   6.5479  110.337   15.610   74.201   16.730 36.13583 22.88151 
1 1 1    3    5   57 o  154.857   8.5527   66.681   7.0699   80.270   10.187   54.054   9.8197  170.446   11.060  139.267   13.049 31.17905 17.10549 
1 1 1    3    5   58 o  134.351   9.4329   50.503   6.8401   47.207   9.5122   54.032   9.8430  129.736   13.568  138.967   13.108 -9.231232 18.86577 
1 1 1    3    5   59 o  225.361   5.6191  139.149   6.8419  140.106   9.7681  138.228   9.5863  226.103   7.9950  224.620   7.8980 1.482605 11.23820 
1 1 1    3    5   60 o   78.950   12.029   18.668   4.9636   18.415   7.3715   18.879   6.7136   78.108   17.855   79.793   16.125 -1.684631 24.05843 
1 1 1    3    5   61 o  215.831   5.9016  128.084   6.8691  131.953   10.095  124.749   9.3737  218.763   8.5398  212.899   8.1479 5.863892 11.80327 
1 1 1    3    5   62 o   74.561   16.998   17.966   7.8258   16.072   11.657   19.520   10.559   71.422   24.754   77.701   23.300 -6.278618 33.99529 
1 1 1    3    5   63 o  285.741   8.5571  231.689   13.193  220.878   18.827  242.117   18.492  278.738   12.500  292.744   11.690 -14.00601 17.11413 
1 1 1    3    5   64 o  188.797   8.3292   98.868   7.7863  106.959   14.405   95.528   9.2548  192.402   13.855  185.193   9.2482 7.209412 16.65830 
1 1 1    3    5   65 o  178.347   6.8323   90.066   6.5406   82.506   9.5185   96.829   9.0028  170.709   10.319  185.984   8.9580 -15.27483 13.66458 
1 1 1    3    5   66 o   87.569   12.639   24.284   5.8248   19.562   8.6647   28.177   7.8678   77.332   20.430   97.807   14.887 -20.47469 25.27802 
1 1 1    3    5   67 o  138.304   8.4056   56.209   6.2539   61.484   8.8090   50.849   8.8800  145.466   11.207  131.143   12.531 14.32310 16.81113 
1 1 1    3    5   68 o  111.147   10.822   38.652   6.1284   29.343   8.7553   47.594   8.5809   95.161   17.677  127.134   12.491 -31.97314 21.64494 
1 1 1    3    5   69 o   43.681   13.184   2.8574   5.6116   7.7858   8.3902  -1.1318   7.5485   50.151   20.183   37.211   16.967 12.94003 26.36717 
1 1 1    3    6    3 f  1133.04   19.159  3473.44  117.304   0.0000   0.0000  3473.44  117.304  ?   ?   1133.04   19.159      ?      ? 
1 1 1    3    6    4 o  101.155   4.7153   24.932   2.2520   33.401   4.7256   22.444   2.5616  111.173   7.8663   91.137   5.2016 20.03573 9.430503 
1 1 1    3    6    5 o  709.284   8.7329  1359.33   33.457  1383.05   48.141  1337.16   46.532  715.263   12.455  703.305   12.244 11.95862 17.46576 
1 1 1    3    6    6 o  470.441   6.1713  597.654   15.680  612.036   22.626  584.367   21.749  475.880   8.7989  465.001   8.6557 10.87903 12.34268 
1 1 1    3    6    7 o  849.292   10.315  1950.32   47.339  1943.36   66.705  1957.38   67.192  847.766   14.561  850.817   14.615 -3.050964 20.63048 
1 1 1    3    6    9 o  1030.55   17.513  2873.07   97.526   0.0000   0.0000  2873.07   97.526  ?   ?   1030.55   17.513      ?      ? 
1 1 1    3    6   10 o  845.961   10.279  1935.44   46.987  1933.03   66.424  1937.86   66.476  845.432   14.540  846.489   14.533 -1.056702 20.55747 
1 1 1    3    6   11 o  763.424   9.3362  1576.04   38.515  1574.07   54.436  1578.01   54.500  762.946   13.204  763.901   13.203 -0.9554443 18.67248 
1 1 1    3    6   12 o  794.072   9.6873  1705.22   41.565  1712.90   59.097  1697.70   58.473  795.839   13.742  792.305   13.658 3.534546 19.37456 
1 1 1    3    6   13 o  252.408   4.1816  171.780   5.6957  179.532   8.3240  164.954   7.8104  257.751   5.9764  247.065   5.8503 10.68532 8.363214 
1 1 1    3    6   14 o  1443.91   17.204  5655.14  134.226  5681.68  190.848  5629.16  188.818  1447.24   24.404  1440.57   24.256 6.669678 34.40792 
1 1 1    3    6   15 o  637.372   7.9418  1098.79   27.351  1104.98   38.945  1092.76   38.420  639.142   11.276  635.601   11.186 3.541138 15.88357 
1 1 1    3    6   16 o  744.517   9.1479  1500.30   36.803  1500.37   52.156  1500.23   51.939  744.531   12.964  744.503   12.910 0.2807617E-01 18.29590 
1 1 1    3    6   17 o  230.189   4.0605  142.799   5.0431  133.486   6.9300  153.284   7.3528  222.233   5.7708  238.145   5.7138 -15.91167 8.120917 
1 1 1    3    6   18 o  174.053   5.4766   81.879   5.1509   0.0000   0.0000   81.879   5.1509  ?   ?   174.053   5.4766      ?      ? 
1 1 1    3    6   19 o   51.954   7.5076   7.5757   2.0259   7.4922   3.0386   7.6425   2.7182   51.624   11.214   52.284   9.9854 -0.6595573 15.01513 
1 1 1    3    6   20 o  488.072   6.3493  644.263   16.745  640.627   23.604  647.946   23.759  486.686   8.9754  489.457   8.9831 -2.771545 12.69857 
1 1 1    3    6   21 f  985.038   11.899  2630.75   63.314  2590.16   88.165  2673.97   90.980  977.227   16.696  992.849   16.958 -15.62250 23.79770 
1 1 1    3    6   22 o  138.776   4.1453   51.753   3.0993   56.924   4.5885   47.414   4.2031  145.114   5.8516  132.438   5.8731 12.67628 8.290631 
1 1 1    3    6   23 f  334.652   4.9135  302.775   8.8839  303.410   12.680  302.162   12.451  334.995   7.0047  334.309   6.8923 0.6860352 9.826946 
1 1 1    3    6   24 o  125.231   4.5652   42.337   3.0862   45.079   4.4494   39.794   4.2844  129.134   6.3764  121.327   6.5350 7.806381 9.130446 
1 1 1    3    6   25 o  544.711   9.7601  803.255   28.721  790.991   40.068  816.216   41.191  540.444   13.720  548.978   13.885 -8.534424 19.52026 
1 1 1    3    6   26 o  222.033   5.6441  133.082   6.7658  128.446   9.3312  138.221   9.8244  217.963   7.9226  226.102   8.0410 -8.139145 11.28830 
1 1 1    3    6   27 o  1020.47   17.414  2831.08   96.025  2833.33  135.948  2828.83  135.651  1020.87   24.644  1020.07   24.610 0.8030396 34.82766 
1 1 1    3    6   28 o  969.721   11.736  2547.19   61.496  2536.42   86.592  2558.14   87.349  967.659   16.560  971.782   16.634 -4.123718 23.47206 
1 1 1    3    6   29 o  375.870   5.4045  381.895   10.977  381.786   15.589  382.003   15.458  375.815   7.6765  375.924   7.6097 -0.1083374 10.80908 
1 1 1    3    6   30 o  1291.88   15.463  4525.51  107.935  4557.62  153.812  4494.36  151.501  1296.37   21.957  1287.38   21.778 8.989136 30.92558 
1 1 1    3    6   31 o  977.731   11.835  2588.71   62.527  2604.74   89.018  2573.09   87.846  980.710   16.798  974.751   16.678 5.959045 23.67098 
1 1 1    3    6   32 o  611.212   9.6381  1000.10   29.501  982.538   35.424  1039.86   53.292  602.728   10.876  619.696   15.915 -16.96857 19.27620 
1 1 1    3    6   33 o  681.467   12.192  1257.45   44.876  1277.48   64.574  1238.74   62.411  686.696   17.402  676.238   17.079 10.45868 24.38328 
1 1 1    3    6   34 o  978.775   16.896  2602.35   89.361  2587.84  125.819  2617.12  126.941  976.031   23.856  981.519   23.934 -5.488525 33.79245 
1 1 1    3    6   35 o  859.004   12.968  2002.43   56.643  1996.85   98.371  2005.20   69.281  857.568   21.228  860.439   14.901 -2.871033 25.93575 
1 1 1    3    6   36 o  1308.20   15.711  4651.12  111.048  4688.90  158.495  4614.68  155.636  1313.38   22.332  1303.02   22.104 10.35596 31.42171 
1 1 1    3    6   37 o  384.618   5.7973  400.020   12.047  398.921   17.152  401.090   16.926  384.094   8.2640  385.142   8.1328 -1.047760 11.59461 
1 1 1    3    6   38 f  728.966   9.1318  1438.97   35.971  1436.72   50.914  1441.21   50.827  728.395   12.935  729.538   12.893 -1.143311 18.26368 
1 1 1    3    6   39 o  654.452   8.3672  1159.42   29.590  1152.58   41.729  1166.33   41.964  652.512   11.835  656.392   11.831 -3.879944 16.73438 
1 1 1    3    6   40 o  297.112   5.5378  238.698   8.8888  241.071   12.732  236.441   12.415  298.550   7.8922  295.674   7.7705 2.875702 11.07553 
1 1 1    3    6   41 o  972.963   11.869  2570.73   62.402  2571.84   88.381  2569.62   88.118  973.167   16.807  972.759   16.764 0.4072266 23.73802 
1 1 1    3    6   42 o  399.992   11.615  433.559   25.104  433.559   25.104   0.0000   0.0000  399.992   11.615  ?   ?       ?      ? 
1 1 1    3    6   43 o  538.606   7.2051  785.927   20.969  786.958   29.804  784.916   29.508  538.949   10.234  538.262   10.145 0.6870728 14.41017 
1 1 1    3    6   44 o  427.676   7.4622  497.575   16.527  502.176   20.667  489.414   27.527  430.629   8.8816  424.724   11.994 5.905304 14.92437 
1 1 1    3    6   45 o  581.452   7.6029  916.259   23.870  938.691   34.583  895.850   32.987  588.214   10.880  574.690   10.622 13.52411 15.20579 
1 1 1    3    6   46 o  108.271   8.6270   32.304   4.9769   27.309   7.2414   36.776   6.8514  100.161   13.379  116.380   10.895 -16.21806 17.25409 
1 1 1    3    6   47 o  478.181   6.6285  619.751   17.112  634.775   24.841  606.183   23.606  483.663   9.5046  472.700   9.2417 10.96277 13.25694 
1 1 1    3    6   48 o  411.185   6.0578  458.295   13.448  469.843   19.521  447.866   18.552  416.085   8.6824  406.285   8.4501 9.800201 12.11562 
1 1 1    3    6   49 o  261.091   5.3744  184.745   7.5789  188.525   10.922  181.234   10.526  263.657   7.6659  258.525   7.5346 5.131653 10.74878 
1 1 1    3    6   50 o   70.357   11.395   13.541   4.4814   20.787   6.6688   7.5751   6.0514   87.075   14.173   53.640   17.847 33.43431 22.79014 
1 1 1    3    6   51 o  143.890   6.6238   56.337   5.1382   56.946   7.5452   55.811   7.0167  144.579   9.6578  143.200   9.0677 1.378387 13.24752 
1 1 1    3    6   52 f  372.050   5.7714  376.438   11.601  376.398   16.561  376.476   16.256  372.008   8.2385  372.092   8.0848 -0.8413696E-01 11.54279 
1 1 1    3    6   53 o  157.344   6.3448   67.392   5.3876   69.293   7.8602   65.707   7.3990  159.410   9.1250  155.278   8.8181 4.132050 12.68954 
1 1 1    3    6   54 o  298.926   5.4376  243.370   8.7803  241.581   12.556  245.083   12.283  297.816   7.8022  300.035   7.5759 -2.219635 10.87519 
1 1 1    3    6   55 o  182.876   6.9475   90.486   6.5819   95.631   11.136   87.724   8.1597  186.485   11.051  179.267   8.4234 7.218353 13.89500 
1 1 1    3    6   56 o  431.345   8.7797  515.659   20.460  525.225   29.281  506.531   28.601  435.223   12.451  427.468   12.382 7.755127 17.55938 
1 1 1    3    6   57 o  170.396   8.1018   80.385   7.4591   78.919   10.517   81.869   10.581  168.807   11.530  171.986   11.385 -3.178879 16.20354 
1 1 1    3    6   58 o   65.474   12.619   12.884   4.7922   8.0097   6.9560   17.287   6.6115   54.488   19.109   76.460   16.487 -21.97199 25.23802 
1 1 1    3    6   59 o   98.656   9.3708   27.167   4.9518   32.568   7.3090   22.585   6.7324  107.859   12.540   89.454   13.928 18.40453 18.74164 
1 1 1    3    6   60 o  177.096   6.2629   86.730   5.9746   81.528   8.6099   91.561   8.2974  171.787   9.2752  182.405   8.4181 -10.61852 12.52575 
1 1 1    3    6   61 o   52.611   13.169   6.8180   4.8256   11.492   7.3348   3.2512   6.4077   61.617   19.588   43.606   17.607 18.01046 26.33768 
1 1 1    3    6   62 o  112.366   14.363   37.747   8.4267   49.234   13.006   29.437   11.063  128.432   18.741   96.300   21.770 32.13234 28.72580 
1 1 1    3    6   63 o  217.242   9.1703  134.247   10.693  141.104   16.229  128.986   14.215  221.563   13.555  212.921   12.355 8.642761 18.34061 
1 1 1    3    6   64 o   94.779   14.721   29.236   6.6834   27.680   13.071   29.787   7.7769   88.470   25.771  101.087   14.237 -12.61671 29.44176 
1 1 1    3    6   65 o  274.671   5.9559  209.059   8.8134  223.683   13.100  196.968   11.912  283.269   8.5586  266.073   8.2852 17.19608 11.91187 
1 1 1    3    6   66 o   70.990   14.276   16.435   5.7602   18.453   8.2524   14.517   8.0439   75.247   19.966   66.732   20.409 8.514519 28.55129 
1 1 1    3    6   67 o  171.215   7.3232   84.914   6.7521   76.353   9.4335   93.907   9.6687  161.880   10.784  180.550   9.9102 -18.67053 14.64632 
1 1 1    3    6   68 o  114.211   9.9529   39.336   6.1081   39.739   9.1297   39.009   8.2182  114.102   14.807  114.321   13.304 -0.2190552 19.90582 
1 1 1    3    7    3 o  405.751   7.7304  444.913   16.949   0.0000   0.0000  444.913   16.949  ?   ?   405.751   7.7304      ?      ? 
1 1 1    3    7    4 o  684.759   9.9387  1225.55   30.468  1343.92   66.405  1193.98   34.290  704.865   17.434  664.652   9.5473 40.21301 19.87745 
1 1 1    3    7    5 o  264.740   4.3701  189.127   6.2467  195.945   9.0604  182.950   8.6240  269.281   6.2267  260.199   6.1336 9.081787 8.740236 
1 1 1    3    7    7 o  1517.41   18.081  6238.58  148.246  6199.79  208.322  6278.38  211.007  1512.64   25.487  1522.17   25.653 -9.528809 36.16158 
1 1 1    3    7    8 o  471.397   6.1867  600.038   15.749  585.740   21.795  615.658   22.782  465.528   8.6643  477.266   8.8336 -11.73746 12.37344 
1 1 1    3    7    9 o  381.038   7.4933  392.390   15.429   0.0000   0.0000  392.390   15.429  ?   ?   381.038   7.4933      ?      ? 
1 1 1    3    7   10 o  948.839   11.465  2434.14   58.754  2482.77   84.761  2389.17   81.516  957.942   16.375  939.737   16.053 18.20490 22.93063 
1 1 1    3    7   11 o  795.352   9.7210  1710.86   41.779  1714.63   59.225  1707.11   58.944  796.225   13.765  794.479   13.730 1.745728 19.44198 
1 1 1    3    7   12 o  139.077   5.7874   52.271   4.3494   0.0000   0.0000   52.271   4.3494  ?   ?   139.077   5.7874      ?      ? 
1 1 1    3    7   13 o  763.775   13.267  1578.38   54.756   0.0000   0.0000  1578.38   54.756  ?   ?   763.775   13.267      ?      ? 
1 1 1    3    7   14 o  581.190   7.3569  913.625   23.105  913.679   32.744  913.571   32.606  581.206   10.426  581.174   10.383 0.3186035E-01 14.71381 
1 1 1    3    7   15 o  875.470   10.641  2075.85   50.338  2075.81   71.244  2075.90   71.133  875.459   15.060  875.482   15.036 -0.2221680E-01 21.28111 
1 1 1    3    7   16 o  608.657   7.6507  1001.65   25.153  982.572   34.967  1022.11   36.208  602.661   10.737  614.653   10.901 -11.99274 15.30139 
1 1 1    3    7   17 o  672.897   8.3596  1225.04   30.389  1240.18   43.539  1210.66   42.437  676.942   11.902  668.852   11.741 8.089783 16.71913 
1 1 1    3    7   18 o   68.580   8.0096   12.717   2.9682   0.0000   0.0000   12.717   2.9682  ?   ?    68.580   8.0096      ?      ? 
1 1 1    3    7   19 o  651.852   8.1295  1150.00   28.635  1150.42   40.556  1149.59   40.436  651.968   11.512  651.735   11.482 0.2332764 16.25893 
1 1 1    3    7   20 o  388.803   5.3952  408.172   11.326  394.577   15.631  423.196   16.433  382.000   7.5726  395.606   7.6870 -13.60626 10.79048 
1 1 1    3    7   21 o  412.872   5.6395  460.895   12.579  465.568   18.016  456.448   17.572  414.912   8.0354  410.833   7.9151 4.078186 11.27902 
1 1 1    3    7   22 o  989.891   11.998  2655.14   64.113  2719.97   93.153  2596.79   88.374  1001.30   17.217  978.482   16.714 22.81970 23.99524 
1 1 1    3    7   23 f  434.191   8.1128  509.322   19.007  526.351   27.797  494.369   26.047  440.982   11.665  427.399   11.278 13.58249 16.22570 
1 1 1    3    7   24 o  945.924   16.195  2432.59   82.759  2398.65  115.445  2468.47  118.702  939.181   22.748  952.667   23.058 -13.48633 32.39054 
1 1 1    3    7   25 o  276.475   6.1451  206.652   9.1786  208.694   13.142  204.707   12.825  277.807   8.7547  275.144   8.6257 2.662750 12.29010 
1 1 1    3    7   26 o  1169.69   14.052  3711.32   88.811  3684.70  124.712  3738.73  126.503  1165.45   19.803  1173.93   19.942 -8.480225 28.10398 
1 1 1    3    7   27 o  893.976   10.879  2163.32   52.539  2130.64   73.211  2198.02   75.443  887.034   15.274  900.919   15.497 -13.88562 21.75875 
1 1 1    3    7   28 o  564.832   7.2687  862.735   22.184  864.996   31.547  860.523   31.201  565.562   10.323  564.102   10.236 1.460083 14.53736 
1 1 1    3    7   29 o  268.657   4.7141  195.085   6.8432  192.431   9.6779  197.739   9.6775  266.829   6.7121  270.485   6.6211 -3.656525 9.428253 
1 1 1    3    7   30 o  1136.11   13.661  3497.93   83.865  3509.55  119.031  3486.47  118.179  1137.98   19.357  1134.24   19.282 3.735107 27.32170 
1 1 1    3    7   31 o  802.603   9.8700  1742.95   42.798  1721.79   59.818  1765.14   61.259  797.622   13.879  807.585   14.038 -9.963074 19.73998 
1 1 1    3    7   32 o  1057.94   18.189  3041.44  103.978  3022.52  146.185  3060.81  147.925  1054.62   25.652  1061.25   25.795 -6.624512 36.37850 
1 1 1    3    7   33 o  1066.35   18.329  3091.09  105.611  3103.60  150.115  3078.83  148.608  1068.46   26.000  1064.23   25.842 4.233154 36.65785 
1 1 1    3    7   34 o  614.434   11.314  1021.94   37.542  1045.27   54.221  1000.45   52.032  621.150   16.154  607.718   15.844 13.43170 22.62750 
1 1 1    3    7   35 o  603.601   7.7734  985.664   25.350  992.874   36.231  978.748   35.481  605.758   11.069  601.445   10.917 4.312866 15.54675 
1 1 1    3    7   36 o  246.026   5.3154  163.631   7.0622  156.047   9.9184  171.431   10.058  240.241   7.6402  251.811   7.3919 -11.56944 10.63073 
1 1 1    3    7   37 o  674.831   8.5602  1232.68   31.215  1223.81   44.002  1241.66   44.288  672.387   12.111  677.274   12.101 -4.887268 17.12048 
1 1 1    3    7   38 o  970.288   11.845  2553.45   62.107  2546.67   87.707  2560.27   87.957  968.996   16.750  971.580   16.753 -2.583801 23.69085 
1 1 1    3    7   39 o  404.771   6.1024  443.128   13.347  439.293   18.780  447.041   18.972  403.002   8.6237  406.540   8.6364 -3.537567 12.20473 
1 1 1    3    7   40 o  731.915   9.1942  1450.74   36.344  1420.16   50.420  1483.81   52.436  723.912   12.889  739.917   13.115 -16.00525 18.38832 
1 1 1    3    7   41 o  706.696   8.9144  1353.30   34.039  1340.06   47.759  1366.96   48.527  703.190   12.569  710.201   12.645 -7.011902 17.82888 
1 1 1    3    7   42 o   74.435   12.761   15.692   5.0795   15.466   7.1719   15.919   7.1951   73.901   18.103   74.969   17.991 -1.068001 25.52188 
1 1 1    3    7   43 o  229.845   6.4744  146.027   7.7287  131.531   12.469  155.070   9.8488  220.309   10.474  239.381   7.6139 -19.07198 12.94888 
1 1 1    3    7   44 o  302.791   6.5384  247.128   10.250  244.085   12.744  252.703   17.249  300.277   7.8543  305.305   10.455 -5.027832 13.07678 
1 1 1    3    7   45 o  335.548   6.6599  304.638   11.596  303.073   14.485  307.432   19.352  334.509   8.0134  336.588   10.640 -2.079681 13.31987 
1 1 1    3    7   46 o  305.050   5.4988  252.097   9.0642  252.281   12.808  251.913   12.830  305.162   7.7669  304.938   7.7861 0.2249146 10.99766 
1 1 1    3    7   47 o  411.098   6.0782  458.144   13.495  465.168   19.462  451.639   18.729  414.112   8.6972  408.083   8.4933 6.029114 12.15635 
1 1 1    3    7   48 o  182.883   5.9821   90.268   5.8946   97.954   8.7473   83.874   7.9781  189.969   8.5212  175.798   8.3984 14.17114 11.96428 
1 1 1    3    7   49 o   40.136   11.946   0.5058   4.4163   1.7272   6.4578  -0.5672   6.0530   42.582   17.493   37.690   16.274 4.892750 23.89251 
1 1 1    3    7   50 o  176.015   5.9739   83.880   5.6695   88.789   8.3638   79.706   7.7117  180.749   8.5632  171.281   8.3320 9.468414 11.94789 
1 1 1    3    7   51 o  310.187   5.4719  260.745   9.1508  270.958   13.496  252.055   12.449  315.756   7.9099  304.619   7.5632 11.13702 10.94385 
1 1 1    3    7   52 o  126.307   7.2713   43.334   4.9486   47.915   7.2958   39.431   6.7345  132.468   10.192  120.146   10.373 12.32162 14.54254 
1 1 1    3    7   53 o  534.088   7.2264  780.045   20.843  791.549   30.087  769.429   28.902  537.785   10.353  530.391   10.084 7.393433 14.45283 
1 1 1    3    7   54 o  165.809   7.3132   75.919   6.3010   73.333   10.351   77.442   7.9419  163.202   11.738  168.417   8.7267 -5.214172 14.62634 
1 1 1    3    7   55 o  249.080   7.2651  170.329   9.7783  169.324   13.842  171.329   13.815  248.332   10.315  249.829   10.234 -1.497040 14.53025 
1 1 1    3    7   56 o  155.396   8.5488   66.967   7.1780   65.923   10.132   68.018   10.171  154.157   12.163  156.636   12.016 -2.478683 17.09768 
1 1 1    3    7   57 o  270.158   5.5096  198.970   8.0299  209.798   11.777  189.562   10.977  276.976   7.8685  263.341   7.7143 13.63483 11.01918 
1 1 1    3    7   58 o  114.776   8.2435   36.554   5.0888   37.833   7.6235   35.527   6.8342  116.446   12.116  113.107   11.182 3.338791 16.48691 
1 1 1    3    7   59 o  221.000   5.7010  133.570   6.7905  140.334   10.051  127.889   9.2107  226.058   8.2278  215.941   7.8935 10.11751 11.40193 
1 1 1    3    7   60 o  126.780   7.6978   44.601   5.2512   47.182   7.8708   42.530   7.0496  129.950   11.209  123.609   10.554 6.341560 15.39561 
1 1 1    3    7   61 o   92.416   10.607   24.758   5.1393   29.241   7.5587   20.904   7.0085  101.185   13.824   83.647   16.090 17.53735 21.21308 
1 1 1    3    7   62 o  233.795   8.9455  153.339   11.218  168.874   17.183  141.802   14.808  243.645   13.051  223.944   12.237 19.70052 17.89096 
1 1 1    3    7   63 o  139.808   12.126   57.616   9.1093   65.946   13.725   51.059   12.178  148.798   17.070  130.817   17.228 17.98117 24.25228 
1 1 1    3    7   64 o  147.253   10.153   60.756   7.2666   71.239   14.062   56.937   8.4877  153.072   17.000  141.434   11.106 11.63736 20.30626 
1 1 1    3    7   65 o   41.585   12.958   0.0025   5.6355   0.5515   8.4550  -0.4364   7.5596   43.179   18.929   39.992   17.700 3.187572 25.91538 
1 1 1    3    7   66 o  110.613   10.861   37.527   6.1224   28.321   8.7433   46.384   8.5759   94.736   17.731  126.491   12.547 -31.75573 21.72132 
1 1 1    3    7   67 o   57.400   14.605   11.362   5.8332   9.5984   8.4939   12.936   8.0248   54.251   20.754   60.549   20.553 -6.297718 29.20903 
1 1 1    3    7   68 o  128.763   9.1787   49.570   6.3669   54.833   9.4113   45.128   8.6457  135.119   12.890  122.407   13.071 12.71255 18.35749 
1 1 1    3    8    2 o  807.410   12.069  1760.58   49.528  1772.75   86.324  1754.60   60.470  809.308   19.739  805.512   13.893 3.796387 24.13788 
1 1 1    3    8    3 o  1052.15   17.880  2995.36  101.657   0.0000   0.0000  2995.36  101.657  ?   ?   1052.15   17.880      ?      ? 
1 1 1    3    8    4 o  1100.34   16.142  3292.13   91.039  3238.74  155.064  3320.21  112.461  1093.07   26.253  1107.62   18.790 -14.54773 32.28428 
1 1 1    3    8    7 o  950.537   11.517  2444.28   59.149  2460.51   84.283  2428.53   83.029  953.640   16.356  947.433   16.218 6.206116 23.03313 
1 1 1    3    8    8 o  919.812   11.143  2288.26   55.372  2261.20   77.350  2316.71   79.303  914.243   15.657  925.380   15.859 -11.13757 22.28585 
1 1 1    3    8   10 o  399.908   7.8088  432.266   16.875   0.0000   0.0000  432.266   16.875  ?   ?   399.908   7.8088      ?      ? 
1 1 1    3    8   11 o  463.251   6.1421  579.802   15.367  591.562   22.163  568.912   21.327  467.770   8.7681  458.733   8.6036 9.037140 12.28419 
1 1 1    3    8   12 o  465.671   6.1697  586.240   15.522  591.269   22.190  581.422   21.721  467.623   8.7817  463.718   8.6685 3.905518 12.33944 
1 1 1    3    8   13 o  586.029   7.4523  928.525   23.592  911.369   32.858  946.779   33.893  580.448   10.476  591.609   10.602 -11.16040 14.90458 
1 1 1    3    8   14 f  536.835   6.9082  779.412   20.038  783.677   28.538  775.266   28.143  538.281   9.8114  535.389   9.7277 2.891541 13.81631 
1 1 1    3    8   15 o  556.536   7.1211  837.619   21.411  847.151   30.658  828.543   29.915  559.622   10.138  553.450   10.003 6.171509 14.24216 
1 1 1    3    8   16 o  445.730   6.0035  537.263   14.460  535.214   20.493  539.295   20.405  444.882   8.5244  446.578   8.4559 -1.696106 12.00700 
1 1 1    3    8   17 o  280.156   4.5671  212.177   6.9131  207.897   9.7582  216.489   9.7952  277.319   6.5118  282.994   6.4054 -5.674713 9.134204 
1 1 1    3    8   18 o  586.538   7.4407  930.867   23.583  930.986   33.419  930.750   33.283  586.573   10.544  586.502   10.502 0.7080078E-01 14.88146 
1 1 1    3    8   20 o  553.789   8.7541  807.706   23.949  886.486   44.872  776.329   28.319  571.920   14.520  535.659   9.7837 36.26050 17.50821 
1 1 1    3    8   21 o  411.487   7.8373  453.414   17.293  496.396   26.521  421.622   22.809  428.249   11.460  394.724   10.693 33.52484 15.67454 
1 1 1    3    8   22 o  334.747   6.8326  302.055   12.321  316.216   18.302  290.315   16.663  341.888   9.9064  327.607   9.4127 14.28040 13.66513 
1 1 1    3    8   23 o  289.376   6.3284  225.605   9.8758  208.423   13.518  245.270   14.462  277.604   9.0117  301.148   8.8874 -23.54459 12.65685 
1 1 1    3    8   25 o  1184.86   14.233  3808.52   91.120  3779.03  127.891  3838.93  129.859  1180.22   20.053  1189.50   20.203 -9.278809 28.46593 
1 1 1    3    8   26 o  938.422   11.408  2385.27   57.850  2375.33   81.633  2395.30   81.992  936.458   16.132  940.386   16.135 -3.928101 22.81655 
1 1 1    3    8   27 o  160.566   4.9061   70.086   4.2303   64.956   6.1900   74.582   5.7947  155.017   7.3897  166.116   6.4555 -11.09900 9.812267 
1 1 1    3    8   28 o  1071.41   12.918  3109.27   74.781  3131.76  106.594  3087.47  104.938  1075.21   18.346  1067.61   18.190 7.606079 25.83542 
1 1 1    3    8   29 o  867.904   10.611  2038.71   49.760  2023.55   69.965  2054.22   70.785  864.643   14.975  871.164   15.037 -6.520813 21.22128 
1 1 1    3    8   30 o  787.773   9.7107  1679.33   41.334  1689.87   58.875  1669.08   58.045  790.206   13.788  785.340   13.678 4.865723 19.42141 
1 1 1    3    8   31 o  596.185   10.985  962.267   35.386  954.279   49.676  970.495   50.418  593.677   15.485  598.692   15.585 -5.014832 21.96964 
1 1 1    3    8   32 o  879.208   15.329  2097.33   72.827  2105.41  103.481  2089.41  102.511  880.873   21.740  877.543   21.618 3.330505 30.65892 
1 1 1    3    8   33 o  520.646   10.007  733.127   28.136  713.739   38.952  754.279   40.685  513.464   14.039  527.828   14.264 -14.36407 20.01427 
1 1 1    3    8   34 o  592.619   9.5085  944.037   28.242  969.144   50.784  932.796   33.981  598.054   15.714  587.183   10.710 10.87024 19.01690 
1 1 1    3    8   35 o  654.529   8.3282  1158.37   29.433  1184.89   42.642  1134.23   40.676  661.665   11.926  647.393   11.628 14.27240 16.65643 
1 1 1    3    8   36 o  766.295   9.5431  1590.08   39.516  1586.95   55.882  1593.21   55.886  765.540   13.509  767.050   13.483 -1.510315 19.08617 
1 1 1    3    8   37 o  362.281   5.7833  354.969   11.321  350.725   16.054  359.167   15.966  360.124   8.2496  364.438   8.1076 -4.313782 11.56669 
1 1 1    3    8   38 o  322.069   5.7390  280.532   9.9855  272.763   14.088  288.376   14.156  317.584   8.2090  326.553   8.0222 -8.969513 11.47797 
1 1 1    3    8   39 o  331.873   5.7101  297.825   10.238  290.073   14.348  305.868   14.614  327.472   8.1081  336.273   8.0425 -8.801025 11.42026 
1 1 1    3    8   40 o  708.029   8.9343  1358.19   34.179  1344.84   47.940  1372.00   48.743  704.496   12.593  711.561   12.677 -7.064331 17.86868 
1 1 1    3    8   41 o  199.519   5.9799  107.639   6.4444  103.756   8.9715  111.779   9.2629  195.803   8.4792  203.234   8.4345 -7.431335 11.95990 
1 1 1    3    8   42 o  342.081   5.6875  316.719   10.513  315.750   14.930  317.673   14.805  341.558   8.0895  342.604   7.9970 -1.045502 11.37506 
1 1 1    3    8   43 o  562.732   9.0281  863.148   26.139  848.198   44.144  871.221   32.436  558.546   14.626  566.919   10.588 -8.372742 18.05618 
1 1 1    3    8   44 o  518.297   8.4506  737.737   22.789  697.748   37.141  761.882   28.860  506.525   13.569  530.068   10.076 -23.54227 16.90122 
1 1 1    3    8   45 o  235.940   6.3946  148.860   7.8994  142.967   9.9155  159.099   13.070  229.724   7.9876  242.156   9.9880 -12.43207 12.78913 
1 1 1    3    8   46 o  161.260   6.5415   70.891   5.6597   61.273   8.0110   80.474   7.9972  150.242   9.8676  172.278   8.5905 -22.03624 13.08303 
1 1 1    3    8   47 o  378.522   5.8757  388.559   12.013  393.375   17.277  384.050   16.716  380.776   8.3966  376.268   8.2214 4.507904 11.75139 
1 1 1    3    8   48 o  131.264   7.3668   46.426   5.1724   56.748   7.7010   37.942   6.9816  144.477   9.8642  118.052   10.944 26.42495 14.73369 
1 1 1    3    8   49 o  329.032   5.5918  293.716   9.9366  297.403   14.327  290.300   13.793  331.001   8.0102  327.063   7.8044 3.937866 11.18352 
1 1 1    3    8   50 o  227.922   5.4993  140.591   6.7598  149.731   9.9438  132.737   9.2172  234.775   7.8381  221.069   7.7158 13.70573 10.99864 
1 1 1    3    8   51 o  243.470   5.3866  161.097   7.0853  158.418   10.061  163.732   9.9794  241.444   7.7118  245.495   7.5227 -4.050430 10.77326 
1 1 1    3    8   52 o   52.431   12.528   6.9081   4.4989   2.3403   6.7505   10.558   6.0344   44.108   17.976   60.755   17.456 -16.64661 25.05679 
1 1 1    3    8   53 o  152.869   8.2431   64.167   6.7958   65.833   9.9772   62.725   9.2819  154.652   11.939  151.087   11.369 3.564987 16.48617 
1 1 1    3    8   54 o  311.027   7.4169  265.307   12.458  271.171   17.996  259.910   17.264  314.275   10.597  307.779   10.380 6.495819 14.83376 
1 1 1    3    8   55 o  226.049   6.5482  141.874   7.8395  151.260   10.337  129.167   12.028  235.329   8.1286  216.769   10.268 18.56017 13.09643 
1 1 1    3    8   56 o  127.319   7.6807   44.999   5.2530   41.630   7.6565   47.995   7.2204  122.612   11.556  132.026   10.121 -9.414291 15.36143 
1 1 1    3    8   57 o  122.218   7.7937   41.428   5.1396   40.784   7.4366   42.018   7.1113  121.214   11.354  123.223   10.680 -2.008835 15.58743 
1 1 1    3    8   58 f  106.416   8.8547   31.626   5.0676   32.265   7.5722   31.108   6.8200  107.224   13.069  105.607   11.951 1.617027 17.70937 
1 1 1    3    8   59 o  182.626   6.2234   91.202   6.1181  101.614   9.1177   82.674   8.2517  192.042   8.7862  173.211   8.8162 18.83131 12.44678 
1 1 1    3    8   60 o  232.379   5.7292  148.594   7.1924  149.958   10.300  147.295   10.048  233.385   8.1673  231.372   8.0367 2.013458 11.45833 
1 1 1    3    8   61 o   87.440   11.555   23.103   5.2540   18.423   7.7144   27.153   7.1754   77.280   18.680   97.601   13.605 -20.32025 23.10959 
1 1 1    3    8   62 o  243.304   9.1233  167.816   11.924  179.144   18.068  159.077   15.870  250.048   13.372  236.560   12.415 13.48860 18.24666 
1 1 1    3    8   63 o  111.215   15.940   39.845   9.1805   45.225   14.115   35.901   12.086  117.331   23.085  105.099   21.988 12.23243 31.88069 
1 1 1    3    8   64 o   82.436   15.720   20.521   6.5456   31.059   12.735   16.738   7.6307   93.264   24.829   71.608   19.288 21.65602 31.44076 
1 1 1    3    8   65 o  113.578   13.363   37.385   8.2013   0.0000   0.0000   37.385   8.2013  ?   ?   113.578   13.363      ?      ? 
1 1 1    3    8   66 o  125.573   9.1002   46.852   6.1578   46.911   9.0370   46.801   8.4134  125.206   13.357  125.939   12.363 -0.7329636 18.20041 
1 1 1    3    8   67 o  173.116   7.3951   86.751   6.8455   79.373   10.126   92.961   9.2898  165.391   11.330  180.842   9.5065 -15.45062 14.79017 
1 1 1    3    8   68 o   65.957   14.404   15.508   5.8690   22.333   8.8263   10.098   7.8579   77.986   20.627   53.928   20.109 24.05767 28.80721 
1 1 1    3    9    2 o  1186.09   16.534  3763.79   90.043  3903.15  186.763  3721.59  102.776  1199.35   28.818  1172.84   16.217 26.50562 33.06728 
1 1 1    3    9    3 o  982.888   11.885  2612.09   63.121   0.0000   0.0000  2612.09   63.121  ?   ?   982.888   11.885      ?      ? 
1 1 1    3    9    4 o  452.707   6.1461  553.834   15.035   0.0000   0.0000  553.834   15.035  ?   ?   452.707   6.1461      ?      ? 
1 1 1    3    9    5 o  645.643   16.160  1127.93   56.378  1127.93   56.378   0.0000   0.0000  645.643   16.160  ?   ?       ?      ? 
1 1 1    3    9    6 o  506.741   6.6323  693.846   18.155  705.717   26.093  682.709   25.275  510.938   9.4510  502.544   9.3073 8.393524 13.26450 
1 1 1    3    9    7 o  275.210   4.6651  204.674   6.9372  201.753   9.7506  207.669   9.8720  273.221   6.6044  277.198   6.5906 -3.976990 9.330255 
1 1 1    3    9   10 o  875.818   10.669  2077.21   50.491  2061.26   70.862  2093.65   71.959  872.412   15.032  879.223   15.146 -6.810730 21.33896 
1 1 1    3    9   11 o  274.436   4.6122  203.590   6.8393  201.016   9.6728  206.164   9.6716  272.700   6.5642  276.171   6.4808 -3.471619 9.224416 
1 1 1    3    9   12 f  572.391   7.3107  886.132   22.609  893.948   32.277  878.604   31.680  574.866   10.391  569.917   10.287 4.948242 14.62145 
1 1 1    3    9   13 o  647.999   8.1291  1136.12   28.462  1144.13   40.578  1128.37   39.933  650.242   11.548  645.757   11.444 4.485046 16.25814 
1 1 1    3    9   14 o  786.070   9.6709  1673.18   41.078  1664.58   57.874  1681.91   58.314  784.037   13.660  788.103   13.693 -4.066223 19.34182 
1 1 1    3    9   16 o  486.203   6.4234  639.366   16.876  634.760   23.807  644.018   23.925  484.442   9.0944  487.963   9.0737 -3.521210 12.84679 
1 1 1    3    9   17 o   93.248   7.2022   22.173   3.4134   27.523   6.1996   19.846   4.0889  100.838   11.378   85.658   8.8339 15.18034 14.40447 
1 1 1    3    9   18 o  531.714   9.6616  765.862   27.758  756.757   38.983  775.225   39.533  528.510   13.650  534.917   13.677 -6.407349 19.32314 
1 1 1    3    9   19 o  339.737   6.9861  310.141   12.760  332.883   19.258  292.342   17.037  350.750   10.161  328.725   9.5909 22.02509 13.97221 
1 1 1    3    9   20 o  454.350   8.5202  556.001   20.834  589.189   31.196  529.279   27.992  466.504   12.375  442.197   11.715 24.30634 17.04049 
1 1 1    3    9   21 o  320.716   5.9067  275.905   9.7618  270.833   12.051  285.586   16.649  316.506   7.0460  324.926   9.4821 -8.420471 11.81340 
1 1 1    3    9   22 o  437.233   5.9750  516.972   14.116  515.313   20.041  518.606   19.887  436.534   8.4959  437.931   8.4038 -1.396851 11.95004 
1 1 1    3    9   23 o  352.800   7.3720  336.487   14.054   0.0000   0.0000  336.487   14.054  ?   ?   352.800   7.3720      ?      ? 
1 1 1    3    9   24 o  850.944   10.420  1960.66   47.910  1947.70   67.438  1973.88   68.078  848.106   14.715  853.781   14.756 -5.675476 20.83936 
1 1 1    3    9   25 o  696.257   12.294  1311.66   46.253   0.0000   0.0000  1311.66   46.253  ?   ?   696.257   12.294      ?      ? 
1 1 1    3    9   26 o  1159.91   13.952  3646.90   87.442  3627.04  123.035  3667.17  124.299  1156.73   19.684  1163.09   19.777 -6.362183 27.90331 
1 1 1    3    9   27 o  514.123   6.7741  714.673   18.819  713.919   26.728  715.414   26.501  513.853   9.6258  514.394   9.5340 -0.5412598 13.54819 
1 1 1    3    9   28 o  472.275   6.3909  603.024   16.308  602.777   23.216  603.266   22.913  472.177   9.0990  472.372   8.9767 -0.1957092 12.78176 
1 1 1    3    9   29 f  1281.42   15.361  4454.62  106.366  4442.19  150.042  4467.19  150.809  1279.63   21.699  1283.21   21.749 -3.583618 30.72239 
1 1 1    3    9   30 o  335.198   8.0018  303.048   14.465  290.991   19.711  317.117   21.293  328.000   11.121  342.395   11.508 -14.39484 16.00364 
1 1 1    3    9   31 o  404.286   8.6147  441.957   18.812  434.459   26.148  450.000   27.085  400.738   12.075  407.833   12.290 -7.094574 17.22948 
1 1 1    3    9   32 o  171.769   9.1774   80.233   8.4312   94.459   12.022   66.464   11.827  186.848   11.907  156.691   13.969 30.15700 18.35481 
1 1 1    3    9   33 o  868.802   13.107  2055.94   58.196  2020.95   99.691  2074.03   71.676  862.606   21.387  874.998   15.159 -12.39215 26.21492 
1 1 1    3    9   34 o  522.985   6.9882  739.808   19.747  743.891   28.144  735.849   27.714  524.403   9.9321  521.567   9.8333 2.836060 13.97643 
1 1 1    3    9   35 o  166.600   6.2165   75.054   5.5888   75.193   8.1221   74.928   7.7021  166.743   9.0142  166.457   8.5629 0.2868042 12.43300 
1 1 1    3    9   36 o  552.306   7.3444  825.168   21.914  834.411   31.404  816.397   30.593  555.313   10.466  549.298   10.307 6.014832 14.68884 
1 1 1    3    9   37 o  1019.85   12.417  2821.30   68.413  2784.93   95.547  2859.55   98.001  1013.14   17.453  1026.57   17.667 -13.43011 24.83352 
1 1 1    3    9   38 o  697.002   8.8501  1315.93   33.330  1322.30   47.469  1309.74   46.810  698.656   12.574  695.349   12.458 3.307129 17.70028 
1 1 1    3    9   39 o  458.709   6.5137  569.280   16.143  574.144   23.084  564.625   22.583  460.622   9.2741  456.797   9.1490 3.825104 13.02744 
1 1 1    3    9   40 o  827.811   10.266  1859.27   45.914  1835.91   64.216  1883.70   65.672  822.510   14.448  833.112   14.588 -10.60132 20.53182 
1 1 1    3    9   41 o  651.430   8.3623  1150.71   29.436  1143.86   41.516  1157.63   41.741  649.481   11.829  653.379   11.823 -3.898315 16.72452 
1 1 1    3    9   42 o  357.680   5.8267  346.067   11.257  354.546   16.223  338.195   15.632  361.897   8.2958  353.463   8.1842 8.434021 11.65334 
1 1 1    3    9   43 o  494.996   6.8356  662.817   18.263  638.946   25.108  689.635   26.613  485.565   9.5693  504.426   9.7637 -18.86142 13.67120 
1 1 1    3    9   44 o  275.056   6.5272  207.202   9.3390  197.140   15.258  213.230   11.810  269.527   10.476  280.586   7.7890 -11.05899 13.05443 
1 1 1    3    9   45 o  432.213   6.3129  505.958   14.735  488.953   20.404  524.489   21.301  424.640   8.8923  439.787   8.9631 -15.14737 12.62582 
1 1 1    3    9   46 o  318.156   6.5712  273.576   10.851  270.526   13.538  279.054   18.145  315.889   7.9313  320.422   10.479 -4.533417 13.14242 
1 1 1    3    9   47 o  594.160   7.8097  961.276   25.074  960.236   35.530  962.308   35.390  593.828   11.072  594.492   11.017 -0.6635132 15.61931 
1 1 1    3    9   48 o  149.382   6.8306   60.774   5.5023   58.712   7.9563   62.664   7.6176  146.914   10.022  151.851   9.2836 -4.937286 13.66117 
1 1 1    3    9   49 f  243.304   5.4651  160.812   7.1758  158.882   10.381  162.578   9.9302  241.873   7.9426  244.736   7.5088 -2.863724 10.93012 
1 1 1    3    9   50 o  228.826   5.5588  141.783   6.8521  148.559   10.181  136.172   9.2645  233.772   8.0595  223.880   7.6580 9.892303 11.11757 
1 1 1    3    9   51 o  158.365   6.4512   67.869   5.5010   74.464   8.2040   62.481   7.4149  165.297   9.1848  151.432   9.0615 13.86516 12.90241 
1 1 1    3    9   52 o   67.669   13.862   11.773   5.9700   21.903   8.8718   3.3896   8.0707   86.475   19.457   48.863   19.749 37.61202 27.72332 
1 1 1    3    9   53 o  197.813   7.6914  107.336   8.1477   89.122   11.247  127.455   11.820  179.961   11.565  215.664   10.143 -35.70349 15.38271 
1 1 1    3    9   54 o  217.266   6.6080  128.325   7.6416  124.155   9.9113  134.437   11.999  213.162   8.6046  221.370   10.031 -8.207413 13.21593 
1 1 1    3    9   55 f  170.000   6.4364   79.556   5.8888   73.600   8.4819   85.099   8.1823  163.696   9.5889  176.304   8.5886 -12.60866 12.87286 
1 1 1    3    9   56 o  461.622   6.6485  584.373   16.551  606.204   24.342  565.601   22.572  469.459   9.5957  453.786   9.2051 15.67343 13.29704 
1 1 1    3    9   57 o  207.137   5.8800  117.881   6.5592  115.359   9.6202  120.073   8.9665  204.920   8.6878  209.354   7.9260 -4.434204 11.76009 
1 1 1    3    9   58 o  177.002   6.2203   86.503   5.9287   80.985   8.5523   91.609   8.2260  171.385   9.2347  182.619   8.3360 -11.23431 12.44057 
1 1 1    3    9   59 o  132.663   7.5704   48.503   5.3983   55.121   8.1254   43.273   7.2227  140.686   10.688  124.640   10.724 16.04635 15.14072 
1 1 1    3    9   60 o  157.492   6.9381   68.399   5.8816   76.186   8.7754   62.049   7.9250  165.568   9.8085  149.417   9.8155 16.15120 13.87629 
1 1 1    3    9   61 o   37.103   11.665  -4.7774   5.2369 -14.0499   7.6788   3.2860   7.1606   29.031   14.250   45.175   18.474 -16.14335 23.33077 
1 1 1    3    9   62 o   52.027   15.675  -0.7626   8.3713   11.966   12.460 -11.2365   11.302   64.456   25.010   39.597   18.902 24.85856 31.34917 
1 1 1    3    9   63 o   42.572   13.799 -12.1382   8.3507 -35.0225   12.652   5.5293   11.116   31.508   15.890   53.637   22.565 -22.12826 27.59803 
1 1 1    3    9   64 o  112.532   10.319   37.661   6.1944   33.268   9.0883   41.473   8.4653  105.433   15.952  119.631   13.095 -14.19743 20.63859 
1 1 1    3    9   65 o   63.376   13.672   12.990   5.7621   4.3977   8.7776   19.496   7.6384   48.645   20.227   78.106   18.400 -29.46103 27.34455 
1 1 1    3    9   66 o  123.003   9.4065   45.943   6.1975   43.882   9.2254   47.638   8.3665  119.467   14.291  126.540   12.236 -7.073242 18.81308 
1 1 1    3    9   67 o   56.720   14.689   10.885   5.8575   10.804   8.9258   10.945   7.7628   56.646   21.370   56.793   20.161 -0.1472969 29.37868 
1 1 1    3   10    0 o  598.603   7.6409  969.021   24.715  971.250   35.055  966.819   34.851  599.287   10.825  597.920   10.787 1.366760 15.28179 
1 1 1    3   10    1 o  494.002   6.5857  659.239   17.568  674.472   25.421  645.314   24.306  499.456   9.4191  488.548   9.2068 10.90750 13.17137 
1 1 1    3   10    2 o  625.010   9.6241  1056.20   30.635  1059.69   53.131  1054.46   37.495  625.620   15.716  624.399   11.113 1.220825 19.24822 
1 1 1    3   10    3 o  195.318   7.2773  103.121   7.6807   0.0000   0.0000  103.121   7.6807  ?   ?   195.318   7.2773      ?      ? 
1 1 1    3   10    4 o  230.219   5.1948  143.235   6.4624   0.0000   0.0000  143.235   6.4624  ?   ?   230.219   5.1948      ?      ? 
1 1 1    3   10    5 o  365.439   6.0784  361.878   10.467  359.459   20.679  362.711   12.137  364.550   10.497  366.328   6.1313 -1.778076 12.15674 
1 1 1    3   10    9 o  217.315   4.5915  127.559   5.3897  131.879   7.7444  123.501   7.5055  220.880   6.4885  213.749   6.4981 7.131088 9.182901 
1 1 1    3   10   12 o  907.671   15.671  2232.63   76.863   0.0000   0.0000  2232.63   76.863  ?   ?   907.671   15.671      ?      ? 
1 1 1    3   10   13 o  903.276   15.596  2211.21   76.124   0.0000   0.0000  2211.21   76.124  ?   ?   903.276   15.596      ?      ? 
1 1 1    3   10   14 o  579.911   14.888  911.261   46.653  911.261   46.653   0.0000   0.0000  579.911   14.888  ?   ?       ?      ? 
1 1 1    3   10   15 o  439.712   8.4365  523.415   20.042  523.874   28.607  522.973   28.088  439.894   12.035  439.530   11.826 0.3631897 16.87305 
1 1 1    3   10   16 o  280.405   6.5559  211.790   9.9024  223.874   14.729  201.824   13.376  287.664   9.4757  273.147   9.0627 14.51788 13.11189 
1 1 1    3   10   17 o  714.579   12.539  1384.10   48.363  1422.52   70.407  1349.78   66.548  723.907   17.999  705.251   17.462 18.65637 25.07768 
1 1 1    3   10   18 o  239.682   5.4457  155.431   6.8443  155.723   8.6915  154.955   11.105  240.002   6.7018  239.363   8.5855 0.6391602 10.89147 
1 1 1    3   10   19 o  757.471   9.3836  1553.75   38.407  1559.44   54.571  1548.15   54.064  758.842   13.308  756.101   13.233 2.741577 18.76724 
1 1 1    3   10   20 o  133.765   5.3227   48.624   3.8241   42.884   5.4466   54.204   5.3704  125.934   8.0037  141.596   7.0188 -15.66280 10.64533 
1 1 1    3   10   21 o  569.182   7.3368  876.329   22.564  879.538   32.113  873.198   31.712  570.208   10.422  568.155   10.329 2.052490 14.67364 
1 1 1    3   10   22 o  513.192   9.5512  712.247   26.487   0.0000   0.0000  712.247   26.487  ?   ?   513.192   9.5512      ?      ? 
1 1 1    3   10   24 o  273.831   4.8660  202.789   7.1957  195.390   10.205  210.106   10.148  268.858   7.0241  278.804   6.7359 -9.945923 9.731913 
1 1 1    3   10   25 o  804.924   9.9296  1753.34   43.188  1758.29   61.375  1748.49   60.783  806.044   14.091  803.804   13.994 2.240601 19.85927 
1 1 1    3   10   26 f   93.453   7.3499   22.805   3.6454   28.460   5.8548   19.224   4.6586  102.589   10.561   84.318   10.225 18.27026 14.69987 
1 1 1    3   10   27 o  1048.09   12.670  2975.50   71.751  2995.04  102.263  2956.56  100.696  1051.47   17.998  1044.72   17.837 6.751953 25.33990 
1 1 1    3   10   28 o  503.031   8.3940  677.052   21.143  665.033   25.385  704.279   38.207  495.933   9.4724  510.130   13.860 -14.19687 16.78797 
1 1 1    3   10   29 o  1325.57   22.637  4789.43  162.124  4738.74  226.864  4842.34  231.772  1318.47   31.842  1332.68   32.185 -14.20752 45.27462 
1 1 1    3   10   30 o  189.393   8.6664   96.056   8.8240   85.856   11.816  108.919   13.268  178.140   12.275  200.645   12.238 -22.50569 17.33279 
1 1 1    3   10   31 o  862.826   15.129  2020.61   70.537  2020.27   99.723  2020.95   99.787  862.755   21.391  862.898   21.401 -0.1423950 30.25787 
1 1 1    3   10   32 o  489.839   8.3132  649.143   20.514  649.775   36.317  648.847   24.859  489.874   13.719  489.805   9.3924 0.6961060E-01 16.62641 
1 1 1    3   10   33 o  440.716   6.2810  525.208   14.957  517.145   21.018  533.480   21.289  437.289   8.8947  444.143   8.8705 -6.854095 12.56190 
1 1 1    3   10   34 o  380.695   5.8779  391.882   12.090  392.891   17.242  390.906   16.958  381.175   8.3709  380.216   8.2538 0.9597168 11.75579 
1 1 1    3   10   35 o  255.944   5.6248  177.283   7.7718  169.010   11.022  185.464   10.961  249.995   8.1589  261.893   7.7450 -11.89815 11.24951 
1 1 1    3   10   36 o  722.018   9.1206  1411.37   35.579  1393.24   49.783  1430.30   50.867  717.287   12.844  726.750   12.953 -9.463379 18.24126 
1 1 1    3   10   37 o  352.052   5.8882  335.189   11.200  327.128   15.741  343.454   15.939  347.763   8.3765  356.340   8.2775 -8.576660 11.77637 
1 1 1    3   10   38 o  853.695   10.564  1975.23   48.698  1929.66   67.389  2025.03   70.453  843.435   14.786  863.955   15.091 -20.51953 21.12729 
1 1 1    3   10   39 o  838.408   10.398  1906.93   47.100  1881.76   65.845  1933.30   67.401  832.763   14.632  844.054   14.778 -11.29126 20.79638 
1 1 1    3   10   40 o  606.063   7.9182  995.125   25.925  975.852   36.150  1015.53   37.198  600.032   11.149  612.093   11.246 -12.06073 15.83634 
1 1 1    3   10   41 f  249.472   5.7212  168.492   7.6975  154.926   10.790  182.553   10.985  239.229   8.3465  259.715   7.8271 -20.48615 11.44240 
1 1 1    3   10   42 o  500.517   6.9217  678.901   18.720  677.425   26.505  680.371   26.444  499.971   9.8107  501.063   9.7667 -1.092529 13.84337 
1 1 1    3   10   43 o  311.253   5.6127  262.353   9.4374  263.656   13.525  261.116   13.174  311.998   8.0225  310.508   7.8518 1.489990 11.22549 
1 1 1    3   10   44 o  382.132   6.0020  395.784   12.392  388.064   17.476  403.592   17.575  378.376   8.5474  385.889   8.4283 -7.512817 12.00396 
1 1 1    3   10   45 o  116.098   9.8019   35.834   5.9716   40.653   9.9242   33.098   7.4766  121.959   15.059  110.238   12.551 11.72084 19.60374 
1 1 1    3   10   46 f  524.903   8.5907  754.028   23.364  761.163   29.245  741.441   38.845  529.046   10.230  520.760   13.804 8.286072 17.18139 
1 1 1    3   10   47 o   90.568   11.650   23.106   5.5211   24.372   7.4251   21.541   8.2572   94.328   14.567   86.809   18.185 7.518684 23.30012 
1 1 1    3   10   48 o  417.708   6.2158  474.222   14.029  473.739   19.970  474.693   19.712  417.480   8.8522  417.935   8.7283 -0.4548950 12.43161 
1 1 1    3   10   49 o   51.347   12.691   5.2108   4.6980   11.213   6.9693   0.2115   6.3603   63.002   18.938   39.692   16.900 23.30981 25.38244 
1 1 1    3   10   50 o  333.505   6.7668  307.118   11.725  288.513   19.129  318.313   14.839  324.865   10.897  342.146   8.0259 -17.28043 13.53365 
1 1 1    3   10   51 o   84.781   13.743   20.661   6.2368   27.905   9.2708   14.671   8.4294   98.422   18.099   71.141   20.687 27.28044 27.48671 
1 1 1    3   10   52 o  269.572   7.3144  199.272   10.645  189.797   15.058  208.739   15.052  263.069   10.592  276.074   10.090 -13.00470 14.62879 
1 1 1    3   10   53 o  166.505   6.4536   75.867   5.7974   74.834   8.4048   76.804   8.0071  165.361   9.4060  167.649   8.8386 -2.287643 12.90717 
1 1 1    3   10   54 o  181.123   6.2868   90.234   6.1234   83.499   8.8713   96.363   8.4627  174.495   9.4084  187.751   8.3414 -13.25632 12.57368 
1 1 1    3   10   55 o  304.974   5.6958  254.460   9.3818  250.270   13.411  258.476   13.129  302.444   8.2059  307.503   7.9013 -5.058472 11.39159 
1 1 1    3   10   56 o  191.216   6.1363  100.112   6.3242  104.107   9.3486   96.741   8.5873  194.649   8.8881  187.783   8.4628 6.866318 12.27261 
1 1 1    3   10   57 f  153.707   6.8867   65.261   5.6922   64.695   8.4528   65.730   7.6998  152.930   10.229  154.485   9.2237 -1.555710 13.77332 
1 1 1    3   10   58 o   85.476   11.583   22.614   5.1202   13.560   7.4966   30.531   7.0100   66.710   19.541  104.243   12.445 -37.53207 23.16701 
1 1 1    3   10   59 o   47.157   12.996   4.1954   4.8559   7.6414   7.2754   1.4271   6.5210   53.447   19.448   40.867   17.242 12.57986 25.99112 
1 1 1    3   10   60 o   49.198   13.404   5.5492   4.9869   6.2366   7.6577   5.0430   6.5713   51.191   19.677   47.206   18.205 3.985439 26.80704 
1 1 1    3   10   61 o  106.585   13.133   33.842   6.9323   32.270   8.4242   37.140   12.201  105.459   14.783  107.711   21.712 -2.251556 26.26662 
1 1 1    3   10   62 o  150.629   11.863   67.218   9.4717   85.068   13.919   51.824   12.926  170.499   15.108  130.760   18.294 39.73851 23.72562 
1 1 1    3   10   63 o  115.935   15.593   44.575   9.4530   60.203   13.868   31.014   12.919  139.001   18.464   92.869   25.132 46.13265 31.18549 
1 1 1    3   10   64 o  185.723   7.0696   97.607   7.0439   88.256   10.218  106.074   9.7231  176.661   10.704  194.786   9.2376 -18.12486 14.13914 
1 1 1    3   10   65 f  127.633   9.2675   48.729   6.3241   44.928   9.3645   51.915   8.5748  122.016   14.203  133.249   11.909 -11.23260 18.53498 
1 1 1    3   10   66 o   68.539   14.846   16.647   6.0298   15.505   9.1274   17.531   8.0320   65.852   21.919   71.226   20.030 -5.374161 29.69268 
1 1 1    3   10   67 o   76.815   14.557   21.325   6.1538   24.957   9.2833   18.478   8.2191   82.608   20.808   71.022   20.363 11.58567 29.11348 
1 1 1    3   11    1 o  828.856   11.623  1888.29   46.215  1803.38   87.872  1920.75   54.337  815.215   19.948  842.498   11.936 -27.28290 23.24567 
1 1 1    3   11    2 o  232.436   6.7889  146.045   8.5269   0.0000   0.0000  146.045   8.5269  ?   ?   232.436   6.7889      ?      ? 
1 1 1    3   11    3 o  569.511   7.3659  876.844   22.668   0.0000   0.0000  876.844   22.668  ?   ?   569.511   7.3659      ?      ? 
1 1 1    3   11    4 o  253.029   6.3408  173.059   8.6696   0.0000   0.0000  173.059   8.6696  ?   ?   253.029   6.3408      ?      ? 
1 1 1    3   11    5 o  469.017   7.6647  597.447   18.411  587.838   31.416  602.473   22.721  466.033   12.475  472.003   8.9083 -5.969879 15.32937 
1 1 1    3   11    9 o  409.292   11.740  453.378   25.965  453.378   25.965   0.0000   0.0000  409.292   11.740  ?   ?       ?      ? 
1 1 1    3   11   10 o  379.890   7.8539  390.095   16.114  376.577   22.349  404.730   23.254  373.045   11.087  386.736   11.127 -13.69101 15.70787 
1 1 1    3   11   11 o  700.719   12.415  1330.32   46.968  1295.05   64.799  1369.37   68.175  690.976   17.355  710.462   17.758 -19.48608 24.83014 
1 1 1    3   11   12 o  503.615   9.4365  686.736   25.673  694.144   36.825  679.730   35.810  506.246   13.461  500.983   13.228 5.262665 18.87299 
1 1 1    3   11   13 o  752.363   13.212  1536.88   53.707  1546.62   76.632  1527.48   75.293  754.685   18.791  750.042   18.577 4.642517 26.42387 
1 1 1    3   11   14 o  536.641   9.9115  778.998   28.699  803.829   41.978  757.207   39.324  544.629   14.264  528.653   13.766 15.97565 19.82299 
1 1 1    3   11   15 o  583.012   9.1176  927.253   27.459  944.066   34.310  897.297   45.798  590.628   10.750  575.397   14.730 15.23126 18.23527 
1 1 1    3   11   16 o  724.439   9.0398  1421.06   35.386  1423.57   50.256  1418.60   49.835  725.068   12.827  723.811   12.741 1.256470 18.07953 
1 1 1    3   11   17 o  319.851   5.1366  276.540   8.8761  279.405   12.710  273.812   12.401  321.466   7.3167  318.236   7.2115 3.230347 10.27327 
1 1 1    3   11   18 o  624.855   7.9572  1056.54   26.866  1063.02   38.265  1050.23   37.728  626.743   11.299  622.967   11.208 3.776184 15.91441 
1 1 1    3   11   19 o  565.047   7.3244  863.657   22.363  858.082   31.473  869.342   31.781  563.206   10.342  566.887   10.375 -3.681030 14.64872 
1 1 1    3   11   20 o  790.102   9.7576  1689.98   41.658  1680.12   58.634  1700.02   59.198  787.780   13.774  792.425   13.825 -4.645020 19.51528 
1 1 1    3   11   21 o  619.020   7.8901  1036.57   26.390  1041.58   37.570  1031.68   37.078  620.495   11.205  617.546   11.111 2.948730 15.78015 
1 1 1    3   11   22 o  446.396   6.1701  538.745   14.881  541.342   21.235  536.239   20.862  447.451   8.7823  445.342   8.6689 2.109589 12.34017 
1 1 1    3   11   23 o  415.480   5.9046  466.659   13.254  467.818   18.940  465.548   18.554  415.983   8.4258  414.977   8.2744 1.005920 11.80930 
1 1 1    3   11   24 o  252.886   4.9411  172.838   6.7421  173.117   9.8086  172.589   9.2825  253.076   7.1725  252.695   6.7980 0.3810120 9.882166 
1 1 1    3   11   25 o  606.896   7.7944  995.999   25.558  1000.95   36.502  991.234   35.796  608.372   11.103  605.419   10.942 2.952759 15.58890 
1 1 1    3   11   26 o  723.782   11.226  1400.99   40.706  1372.91   48.867  1464.64   73.573  712.356   12.695  735.208   18.519 -22.85114 22.45258 
1 1 1    3   11   27 o  630.406   11.535  1076.22   39.293  1072.75   55.404  1079.73   55.735  629.386   16.291  631.427   16.335 -2.040833 23.06985 
1 1 1    3   11   28 o  842.349   14.785  1924.17   67.289  1904.95   94.259  1944.14   96.090  838.076   20.814  846.623   21.004 -8.546997 29.56987 
1 1 1    3   11   29 o  525.040   10.121  745.694   28.701  730.631   39.846  761.937   41.376  519.541   14.193  530.539   14.433 -10.99738 20.24205 
1 1 1    3   11   30 o  224.169   6.7061  134.786   7.3591  138.514   13.797  133.304   8.7001  226.274   11.284  222.063   7.2503 4.211014 13.41226 
1 1 1    3   11   31 o  204.180   7.1630  111.094   7.0274  116.441   13.646  109.164   8.1980  207.420   12.175  200.940   7.5501 6.479828 14.32600 
1 1 1    3   11   32 o  785.163   9.7643  1669.23   41.424  1651.61   58.102  1687.44   59.073  780.955   13.768  789.370   13.849 -8.415161 19.52851 
1 1 1    3   11   33 o  915.861   11.232  2272.99   55.586  2254.45   78.106  2292.01   79.126  912.084   15.847  919.638   15.923 -7.553955 22.46484 
1 1 1    3   11   34 o  547.739   10.390  811.784   30.752   0.0000   0.0000  811.784   30.752  ?   ?   547.739   10.390      ?      ? 
1 1 1    3   11   35 o  551.704   7.4377  822.239   22.151  793.620   30.500  854.182   32.224  541.569   10.422  561.838   10.614 -20.26843 14.87547 
1 1 1    3   11   36 o  401.779   6.1643  436.683   13.382  428.927   18.886  444.504   18.964  398.193   8.7771  405.366   8.6577 -7.172607 12.32852 
1 1 1    3   11   37 o  791.068   9.8767  1695.46   42.197  1658.50   58.529  1735.48   60.893  782.119   13.849  800.016   14.086 -17.89716 19.75331 
1 1 1    3   11   38 o  673.719   8.6297  1227.82   31.378  1188.83   43.098  1271.80   45.774  662.383   12.041  685.054   12.365 -22.67102 17.25943 
1 1 1    3   11   39 o  442.445   9.0548  529.998   21.648   0.0000   0.0000  529.998   21.648  ?   ?   442.445   9.0548      ?      ? 
1 1 1    3   11   40 o  736.320   9.3133  1471.55   37.048  1483.53   53.024  1460.13   51.786  739.220   13.274  733.421   13.067 5.799011 18.62660 
1 1 1    3   11   41 o  493.816   6.8643  660.008   18.305  639.102   25.350  682.789   26.461  485.660   9.6595  501.971   9.7554 -16.31027 13.72859 
1 1 1    3   11   42 o   80.732   12.003   19.414   5.2428   9.2256   7.7459   28.028   7.1222   59.932   20.194  101.532   12.981 -41.60030 24.00619 
1 1 1    3   11   43 o  286.085   5.6740  221.582   8.7646  225.667   12.691  217.858   12.118  288.592   8.1383  283.577   7.9084 5.015137 11.34792 
1 1 1    3   11   44 o  491.610   6.8239  655.276   18.112  672.232   26.287  639.952   24.990  497.629   9.7757  485.592   9.5237 12.03690 13.64789 
1 1 1    3   11   45 o  487.428   8.2785  644.717   20.585  654.955   35.667  639.604   25.206  489.664   13.480  485.192   9.6141 4.471985 16.55706 
1 1 1    3   11   46 o  462.416   7.9791  585.193   19.007  573.198   31.975  591.748   23.637  458.153   12.915  466.679   9.3731 -8.526093 15.95820 
1 1 1    3   11   47 o  101.010   10.857   28.853   5.6820   33.316   7.8411   23.919   8.2453  110.346   13.150   91.674   17.278 18.67160 21.71331 
1 1 1    3   11   48 o  304.866   5.7419  252.593   9.4585  249.357   13.383  255.823   13.369  302.903   8.1766  306.830   8.0635 -3.926819 11.48381 
1 1 1    3   11   49 o   86.837   13.549   21.183   6.1993   28.986   9.5486   15.498   8.1508  100.546   18.247   73.128   20.035 27.41811 27.09844 
1 1 1    3   11   50 o  169.659   8.1622   77.521   7.4172   90.721   11.417   67.883   9.7564  181.923   11.614  157.395   11.471 24.52808 16.32430 
1 1 1    3   11   51 o   50.583   13.798   4.7873   5.4670   7.5720   7.5448   1.7088   7.9328   55.248   19.847   45.918   19.173 9.329842 27.59544 
1 1 1    3   11   52 o  191.665   6.1599  100.530   6.3624   96.908   9.2413  103.793   8.7725  188.288   9.0829  195.043   8.3235 -6.755188 12.31987 
1 1 1    3   11   53 o  236.959   5.7754  152.235   7.3652  165.658   11.038  141.463   9.8884  246.268   8.2948  227.650   8.0384 18.61842 11.55072 
1 1 1    3   11   54 f  470.036   6.7699  606.038   17.170  624.713   25.098  589.608   23.541  476.692   9.7434  463.380   9.4016 13.31186 13.53971 
1 1 1    3   11   55 o  166.503   6.6509   75.233   5.9438   87.071   9.0203   66.148   7.9020  177.932   9.3817  155.074   9.4300 22.85864 13.30187 
1 1 1    3   11   56 o   84.810   11.732   20.663   5.2385   29.818   7.8844   13.427   7.0094  102.766   14.198   66.853   18.681 35.91264 23.46395 
1 1 1    3   11   57 o   67.471   13.049   12.981   5.1238   20.398   7.8095   7.3755   6.7895   82.270   18.062   52.673   18.838 29.59636 26.09767 
1 1 1    3   11   58 o  105.743   9.4779   31.241   5.3579   38.383   8.0778   25.631   7.1594  116.592   12.821   94.895   13.962 21.69654 18.95588 
1 1 1    3   11   59 o  166.780   6.8168   76.676   6.1209   84.985   9.1218   69.870   8.2555  174.935   9.6497  158.626   9.6312 16.30984 13.63368 
1 1 1    3   11   60 o   57.878   13.256   8.0759   5.3644   17.449   8.0541   0.6029   7.1916   74.603   19.691   41.153   17.754 33.45008 26.51272 
1 1 1    3   11   61 o   46.903   14.570  -7.4621   8.4012   9.2365   11.402 -27.2973   12.427   59.793   23.706   34.014   16.946 25.77832 29.14035 
1 1 1    3   11   62 o  194.832   10.296  111.809   10.834  116.689   15.551  107.207   15.102  199.076   14.457  190.589   14.664 8.486435 20.59182 
1 1 1    3   11   63 o  178.495   9.1608   88.053   8.0341  102.432   15.277   82.557   9.4457  185.895   15.209  171.094   10.217 14.80092 18.32159 
1 1 1    3   11   64 o  168.491   7.6925   80.432   6.9828   84.653   10.368   76.928   9.4462  172.321   11.135  164.662   10.616 7.658432 15.38493 
1 1 1    3   11   65 o  152.567   8.0766   68.024   6.5939   71.046   10.123   65.798   8.6903  154.736   12.107  150.398   10.693 4.337662 16.15323 
1 1 1    3   11   66 o   50.145   13.133   5.4892   5.6878  -4.9371   8.3179   14.646   7.7950   35.850   16.843   64.439   20.155 -28.58960 26.26635 
1 1 1    3   12    0 o  788.558   19.474  1687.84   82.979   0.0000   0.0000  1687.84   82.979  ?   ?   788.558   19.474      ?      ? 
1 1 1    3   12    1 o  593.523   9.2348  959.676   28.222  934.009   47.475  973.704   35.097  587.155   14.963  599.892   10.827 -12.73743 18.46959 
1 1 1    3   12    2 o  425.569   6.8851  489.611   15.833   0.0000   0.0000  489.611   15.833  ?   ?   425.569   6.8851      ?      ? 
1 1 1    3   12    6 o  397.837   11.665  428.378   25.077   0.0000   0.0000  428.378   25.077  ?   ?   397.837   11.665      ?      ? 
1 1 1    3   12    7 o  554.349   10.325  831.350   30.889  856.306   45.065  809.234   42.423  562.159   14.835  546.538   14.364 15.62042 20.64990 
1 1 1    3   12    8 o  336.259   7.6698  305.956   13.931  295.045   19.591  317.117   19.815  330.189   10.980  342.330   10.712 -12.14130 15.33956 
1 1 1    3   12    9 o  424.677   8.5654  488.127   19.646  492.793   28.296  483.784   27.298  426.624   12.274  422.730   11.950 3.894501 17.13083 
1 1 1    3   12   10 o  329.562   10.494  293.919   18.689   0.0000   0.0000  293.919   18.689  ?   ?   329.562   10.494      ?      ? 
1 1 1    3   12   11 o  512.835   6.8465  711.536   18.973  706.782   26.724  716.367   26.939  511.109   9.6762  514.562   9.6886 -3.453094 13.69302 
1 1 1    3   12   12 o  205.094   4.9605  113.286   5.4865  122.883   8.0419  104.930   7.5041  213.189   6.9808  197.000   7.0493 16.18874 9.920916 
1 1 1    3   12   15 o  328.778   5.2587  291.912   9.3332  299.752   13.569  284.872   12.858  332.959   7.5414  324.596   7.3309 8.362976 10.51739 
1 1 1    3   12   16 o  519.053   6.8958  728.770   19.341  730.511   27.455  727.055   27.251  519.667   9.7769  518.440   9.7274 1.227295 13.79166 
1 1 1    3   12   17 o  697.752   8.7709  1317.58   33.067  1326.62   47.137  1308.82   46.399  700.102   12.460  695.402   12.348 4.700134 17.54176 
1 1 1    3   12   18 o  308.061   7.2309  256.550   12.037   0.0000   0.0000  256.550   12.037  ?   ?   308.061   7.2309      ?      ? 
1 1 1    3   12   19 o  963.668   11.733  2514.85   61.073  2473.00   84.912  2559.70   87.906  955.390   16.448  971.945   16.737 -16.55511 23.46621 
1 1 1    3   12   20 o  785.759   9.7310  1670.89   41.310  1688.83   59.083  1653.72   57.783  789.877   13.842  781.641   13.680 8.236145 19.46197 
1 1 1    3   12   21 o  559.230   7.3144  845.492   22.099  832.379   30.875  859.267   31.644  554.787   10.299  563.672   10.389 -8.884705 14.62870 
1 1 1    3   12   22 o  286.008   5.1389  221.142   7.9388  219.794   11.372  222.424   11.088  285.156   7.3801  286.861   7.1530 -1.704712 10.27772 
1 1 1    3   12   23 o  829.688   20.572  1865.99   92.231   0.0000   0.0000  1865.99   92.231  ?   ?   829.688   20.572      ?      ? 
1 1 1    3   12   24 o  515.326   9.8788  718.356   27.502  706.531   38.365  730.856   39.445  510.970   13.895  519.682   14.046 -8.712402 19.75768 
1 1 1    3   12   25 o  968.977   16.790  2546.65   87.846  2488.74  121.377  2610.36  127.301  957.476   23.460  980.479   24.027 -23.00238 33.58078 
1 1 1    3   12   26 o  553.674   10.473  828.661   31.305  803.604   43.140  856.531   45.497  544.857   14.653  562.491   14.969 -17.63385 20.94648 
1 1 1    3   12   27 o  1099.14   18.912  3284.81  112.325  3297.30  159.482  3272.52  158.229  1101.20   26.802  1097.08   26.691 4.116089 37.82473 
1 1 1    3   12   28 o  813.993   14.361  1797.18   63.166  1795.27   89.256  1799.10   89.403  813.560   20.303  814.426   20.315 -0.8651733 28.72115 
1 1 1    3   12   29 o  495.533   6.7944  664.089   18.193  657.792   25.691  670.422   25.766  493.175   9.6405  497.891   9.5769 -4.715485 13.58884 
1 1 1    3   12   30 f  1301.25   19.237  4631.37  128.040  4565.31  218.979  4665.68  157.833  1292.29   31.358  1310.20   22.293 -17.90967 38.47499 
1 1 1    3   12   31 o  842.313   10.441  1920.63   47.501  1880.03   65.993  1964.28   68.425  833.098   14.659  851.528   14.871 -18.43011 20.88134 
1 1 1    3   12   32 o  922.823   11.334  2308.04   56.516  2318.23   80.390  2298.08   79.469  924.827   16.086  920.820   15.971 4.007019 22.66807 
1 1 1    3   12   33 o  578.242   7.6789  904.799   23.993  897.248   33.779  912.488   34.086  575.808   10.856  580.677   10.863 -4.868958 15.35786 
1 1 1    3   12   34 o  924.662   16.088  2318.31   80.385   0.0000   0.0000  2318.31   80.385  ?   ?   924.662   16.088      ?      ? 
1 1 1    3   12   35 o  826.578   10.275  1851.45   45.878  1816.91   63.877  1888.25   65.934  818.637   14.440  834.519   14.621 -15.88165 20.54974 
1 1 1    3   12   36 o  112.666   9.8204   34.088   5.7901   47.290   8.6964   23.575   7.7603  132.121   12.181   93.210   15.407 38.91085 19.64074 
1 1 1    3   12   37 f  658.372   8.4954  1173.64   30.205  1197.43   43.646  1151.78   41.843  664.748   12.151  651.996   11.877 12.75214 16.99087 
1 1 1    3   12   38 o  424.276   6.3315  486.896   14.509  471.651   20.156  503.292   20.903  417.391   8.9365  431.160   8.9718 -13.76941 12.66308 
1 1 1    3   12   39 o  416.272   6.2700  468.569   14.086  480.925   20.538  457.595   19.356  421.431   9.0189  411.113   8.7128 10.31866 12.54009 
1 1 1    3   12   40 o  467.718   6.6659  592.659   16.846  592.821   24.004  592.502   23.647  467.771   9.4963  467.664   9.3573 0.1072388 13.33188 
1 1 1    3   12   41 o  353.253   5.9053  338.097   11.269  335.022   16.102  341.049   15.775  351.665   8.4736  354.841   8.2271 -3.175720 11.81050 
1 1 1    3   12   42 o  147.939   7.5095   60.017   5.9371   54.076   8.7880   65.005   8.0527  141.072   11.528  154.805   9.6265 -13.73289 15.01893 
1 1 1    3   12   43 o  618.116   8.0899  1038.87   27.020  1037.95   38.332  1039.78   38.094  617.829   11.482  618.402   11.400 -0.5725708 16.17976 
1 1 1    3   12   44 o  537.545   7.3001  785.170   21.198  767.161   29.519  804.345   30.459  531.198   10.284  543.893   10.364 -12.69464 14.60017 
1 1 1    3   12   45 o  177.246   6.5549   85.490   6.2454   83.875   9.2704   86.833   8.4510  175.657   9.7666  178.835   8.7452 -3.177246 13.10975 
1 1 1    3   12   46 o  113.856   10.070   33.784   5.7826   40.428   10.599   30.968   6.9000  121.197   16.184  106.515   11.988 14.68174 20.14072 
1 1 1    3   12   47 o  168.502   8.3240   76.671   7.4933   83.806   11.687   71.689   9.7648  174.976   12.360  162.028   11.153 12.94789 16.64808 
1 1 1    3   12   48 o   64.454   15.170   11.339   6.2388   8.3176   9.8544   13.360   8.0597   60.517   22.528   68.390   20.323 -7.872959 30.34027 
1 1 1    3   12   49 o  177.952   8.0980   85.276   7.6807   95.428   12.123   78.468   9.9273  186.526   12.028  169.378   10.846 17.14844 16.19604 
1 1 1    3   12   50 o  106.131   9.4225   30.842   5.3772   35.370   8.0048   27.118   7.2587  113.211   13.085   99.052   13.562 14.15828 18.84499 
1 1 1    3   12   51 o  367.115   6.0085  367.842   11.918  364.242   16.945  371.366   16.765  365.300   8.5843  368.930   8.4094 -3.630463 12.01699 
1 1 1    3   12   52 o  228.226   5.9493  142.376   7.3294  139.096   10.530  145.459   10.208  225.608   8.6375  230.844   8.1834 -5.235886 11.89851 
1 1 1    3   12   53 o  485.147   6.9126  646.896   18.121  640.114   25.611  653.694   25.644  482.563   9.8216  487.732   9.7300 -5.169403 13.82525 
1 1 1    3   12   54 f  153.330   7.0597   64.532   5.8353   67.901   8.6222   61.684   7.9265  156.957   10.166  149.703   9.7985 7.253601 14.11941 
1 1 1    3   12   55 o  116.073   8.8239   37.870   5.4949   35.302   8.0824   40.077   7.4930  112.116   13.341  120.029   11.553 -7.913002 17.64771 
1 1 1    3   12   56 o  262.681   5.8594  189.783   8.2999  182.808   11.982  196.217   11.508  257.872   8.5991  267.490   7.9614 -9.618408 11.71874 
1 1 1    3   12   57 o   73.059   13.200   16.752   5.3452   12.029   8.0781   20.431   7.1291   63.323   20.599   82.795   16.514 -19.47268 26.40085 
1 1 1    3   12   58 o   81.169   12.839   20.265   5.4794   18.795   8.1056   21.503   7.4358   77.806   19.358   84.533   16.870 -6.726723 25.67703 
1 1 1    3   12   59 o   61.117   14.079   11.292   5.3284   10.711   8.0282   11.749   7.1236   60.153   20.557   62.081   19.243 -1.927643 28.15805 
1 1 1    3   12   60 o  342.554   7.8035  334.021   13.674  342.433   16.973  318.468   23.079  351.154   8.9451  333.955   12.789 17.19864 15.60701 
1 1 1    3   12   61 o  157.105   12.194   73.669   10.266   87.545   15.200   62.027   13.922  171.355   16.415  142.854   18.035 28.50060 24.38712 
1 1 1    3   12   62 o  131.385   14.248   55.346   9.7493   64.550   13.894   46.419   13.684  144.866   17.749  117.904   22.294 26.96188 28.49674 
1 1 1    3   12   63 o   99.830   12.838   33.910   6.7035   12.048   9.6239   54.515   9.3429   61.977   22.396  137.682   12.558 -75.70555 25.67671 
1 1 1    3   12   64 o   69.584   14.588   17.682   6.0584   13.553   9.1439   20.913   8.0886   61.284   21.867   77.883   19.314 -16.59937 29.17546 
1 1 1    3   12   65 o   39.605   12.481  -2.2578   5.9028 -11.5168   9.0438   4.6140   7.7911   33.041   16.052   46.169   19.116 -13.12794 24.96142 
1 1 1    3   12   66 o  183.034   7.4151   97.827   7.2956   98.573   10.886   97.219   9.8300  182.960   11.011  183.108   9.9348 -0.1483002 14.83019 
1 1 1    3   13    0 o  201.800   6.6800  110.216   7.2809  107.568   10.367  112.793   10.227  199.403   9.6217  204.198   9.2688 -4.795166 13.35998 
1 1 1    3   13    1 o  829.746   14.448  1870.83   64.773  1856.98   90.875  1885.14   92.348  826.645   20.344  832.846   20.520 -6.200989 28.89543 
1 1 1    3   13    2 f  883.495   12.557  2113.65   59.947   0.0000   0.0000  2113.65   59.947  ?   ?   883.495   12.557      ?      ? 
1 1 1    3   13    3 o  422.503   7.0709  482.646   16.143   0.0000   0.0000  482.646   16.143  ?   ?   422.503   7.0709      ?      ? 
1 1 1    3   13    4 o  339.987   8.1168  312.606   14.912   0.0000   0.0000  312.606   14.912  ?   ?   339.987   8.1168      ?      ? 
1 1 1    3   13    5 o  486.253   6.6373  639.240   17.440   0.0000   0.0000  639.240   17.440  ?   ?   486.253   6.6373      ?      ? 
1 1 1    3   13    6 o   97.510   8.0518   23.099   3.9893   34.324   7.3376   18.388   4.7531  112.591   12.060   82.428   10.671 30.16302 16.10368 
1 1 1    3   13    7 o  138.008   6.0153   51.436   4.4780   55.925   6.4603   47.285   6.2127  143.798   8.3140  132.218   8.6957 11.57938 12.03069 
1 1 1    3   13    8 o  656.856   11.792  1168.05   41.856   0.0000   0.0000  1168.05   41.856  ?   ?   656.856   11.792      ?      ? 
1 1 1    3   13    9 o  277.684   5.1444  208.515   7.7181  205.025   10.937  211.976   10.893  275.368   7.3501  280.001   7.1997 -4.632904 10.28881 
1 1 1    3   13   10 o  761.781   13.427  1571.69   55.271   0.0000   0.0000  1571.69   55.271  ?   ?   761.781   13.427      ?      ? 
1 1 1    3   13   11 o  436.441   6.1738  515.056   14.556  519.554   20.864  510.791   20.318  438.293   8.8094  434.589   8.6521 3.704315 12.34766 
1 1 1    3   13   13 o  533.057   7.0680  768.224   20.349  782.549   29.344  754.954   28.243  537.834   10.097  528.280   9.8936 9.554199 14.13606 
1 1 1    3   13   14 o  171.427   7.3254   79.449   6.7858   0.0000   0.0000   79.449   6.7858  ?   ?   171.427   7.3254      ?      ? 
1 1 1    3   13   15 o  379.789   8.0465  389.986   16.514   0.0000   0.0000  389.986   16.514  ?   ?   379.789   8.0465      ?      ? 
1 1 1    3   13   17 o  538.582   7.1415  783.833   20.770  802.831   30.045  766.445   28.745  544.821   10.206  532.343   9.9925 12.47803 14.28298 
1 1 1    3   13   19 o  974.109   23.846  2576.58  125.519   0.0000   0.0000  2576.58  125.519  ?   ?   974.109   23.846      ?      ? 
1 1 1    3   13   20 f  480.914   9.4067  625.711   24.444  631.306   34.814  620.270   34.328  483.033   13.338  478.796   13.268 4.237091 18.81335 
1 1 1    3   13   21 o  1164.52   19.961  3684.20  125.540  3617.12  174.163  3756.76  181.121  1153.56   27.940  1175.47   28.515 -21.90906 39.92150 
1 1 1    3   13   22 o  338.201   7.9155  309.341   14.465  308.784   20.348  309.910   20.567  337.895   11.144  338.507   11.244 -0.6125793 15.83103 
1 1 1    3   13   23 o  203.559   7.9921  111.521   8.7683  102.117   11.947  122.500   12.909  194.303   11.379  212.816   11.226 -18.51318 15.98413 
1 1 1    3   13   24 o  736.178   13.136  1467.29   52.218  1433.33   72.214  1504.51   75.599  727.283   18.375  745.072   18.777 -17.78894 26.27201 
1 1 1    3   13   25 o  443.554   7.7486  540.471   17.714  503.378   29.380  561.654   22.203  431.333   12.605  455.774   9.0151 -24.44034 15.49721 
1 1 1    3   13   26 o  323.453   5.5125  282.977   9.6299  274.847   13.697  290.923   13.542  318.853   7.9496  328.053   7.6390 -9.199738 11.02505 
1 1 1    3   13   27 f  508.195   8.6154  691.874   22.031  680.108   26.565  717.793   39.428  501.477   9.8033  514.913   14.170 -13.43591 17.23085 
1 1 1    3   13   28 o  680.018   8.6986  1248.96   31.915  1207.23   43.704  1296.64   46.717  667.891   12.109  692.145   12.491 -24.25323 17.39710 
1 1 1    3   13   29 f  745.083   11.527  1507.07   43.673  1497.97   75.784  1511.59   53.438  742.988   18.876  747.179   13.236 -4.190735 23.05373 
1 1 1    3   13   30 o  763.586   9.5888  1577.90   39.551  1546.29   55.057  1611.60   56.854  755.698   13.483  771.474   13.638 -15.77618 19.17754 
1 1 1    3   13   31 o  626.034   8.1597  1060.04   27.594  1035.73   38.405  1085.98   39.672  618.624   11.489  633.443   11.590 -14.81970 16.31945 
1 1 1    3   13   32 o  853.369   10.594  1970.38   48.795  1908.45   67.080  2039.97   71.108  839.186   14.793  867.551   15.168 -28.36530 21.18731 
1 1 1    3   13   33 o  190.977   6.7317   98.822   6.9108   97.091   10.264  100.257   9.3473  189.432   10.027  192.522   8.9850 -3.090271 13.46344 
1 1 1    3   13   34 o  286.785   5.9302  222.866   9.1731  209.615   13.069  235.733   12.879  278.355   8.6885  295.214   8.0732 -16.85867 11.86033 
1 1 1    3   13   35 o  626.784   8.1790  1063.38   27.693  1040.28   38.559  1087.99   39.797  619.765   11.514  633.804   11.620 -14.03943 16.35807 
1 1 1    3   13   36 o  120.653   12.339   39.456   8.0449   0.0000   0.0000   39.456   8.0449  ?   ?   120.653   12.339      ?      ? 
1 1 1    3   13   37 o  751.937   9.4844  1533.45   38.517  1497.13   53.423  1572.77   55.583  742.698   13.311  761.177   13.514 -18.47876 18.96873 
1 1 1    3   13   38 o  308.887   5.7990  258.402   9.6733  253.098   13.832  263.480   13.533  305.770   8.3714  312.003   8.0271 -6.232727 11.59802 
1 1 1    3   13   39 o  372.445   6.0671  375.614   12.206  376.634   17.516  374.651   17.018  372.925   8.6920  371.965   8.4669 0.9607239 12.13424 
1 1 1    3   13   40 o  144.395   7.6714   57.010   5.9396   51.368   8.6508   62.042   8.1696  137.537   11.640  151.252   9.9956 -13.71556 15.34273 
1 1 1    3   13   41 o  639.290   11.687  1110.70   40.372   0.0000   0.0000  1110.70   40.372  ?   ?   639.290   11.687      ?      ? 
1 1 1    3   13   42 o  303.965   5.7420  250.701   9.4193  243.905   13.551  257.055   13.102  299.945   8.3606  307.984   7.8728 -8.038605 11.48396 
1 1 1    3   13   43 o  169.175   6.7344   77.605   6.1298   79.163   9.1418   76.333   8.2624  170.677   9.9121  167.672   9.1192 3.004593 13.46884 
1 1 1    3   13   44 o  103.972   9.9858   30.204   5.4806   25.716   8.2818   33.700   7.3102   96.786   15.835  111.158   12.170 -14.37108 19.97167 
1 1 1    3   13   45 o  387.139   7.4058  413.542   14.760  389.414   24.598  427.117   18.451  377.715   12.052  396.563   8.6103 -18.84818 14.81152 
1 1 1    3   13   46 o  217.856   7.8287  130.860   9.0908  120.225   13.696  139.234   12.154  209.650   12.090  226.063   9.9496 -16.41301 15.65742 
1 1 1    3   13   47 o  377.393   8.2052  389.833   16.714  366.441   23.510  413.739   23.766  365.823   11.893  388.963   11.307 -23.14047 16.41035 
1 1 1    3   13   48 o   43.980   12.357  -3.0459   5.4439 -14.9639   7.6649   9.0856   7.7332   29.101   14.274   58.859   20.175 -29.75817 24.71433 
1 1 1    3   13   49 o  139.078   8.3768   53.148   6.2771   53.067   8.5558   53.243   9.2376  139.052   11.387  139.104   12.289 -0.5242920E-01 16.75362 
1 1 1    3   13   50 o   83.937   12.012   21.269   5.3156   12.394   7.8107   28.926   7.2548   65.610   20.119  102.264   13.129 -36.65381 24.02347 
1 1 1    3   13   51 o  133.828   7.8941   48.869   5.6737   53.083   8.6234   45.652   7.5340  138.797   11.498  128.860   10.820 9.936966 15.78817 
1 1 1    3   13   52 o   88.616   11.535   22.654   5.3640   21.599   7.9886   23.519   7.2386   85.640   17.842   91.592   14.625 -5.951920 23.06993 
1 1 1    3   13   53 o  152.137   7.3343   64.847   5.9136   51.806   8.5114   77.017   8.2224  136.751   11.518  167.523   9.0831 -30.77126 14.66869 
1 1 1    3   13   54 o   99.456   10.311   28.725   5.3012   24.794   7.8929   31.956   7.1553   91.933   16.494  106.979   12.378 -15.04530 20.62201 
1 1 1    3   13   55 o  114.985   9.2023   38.054   5.5571   30.176   8.2233   44.675   7.5390  103.132   14.756  126.837   11.000 -23.70461 18.40454 
1 1 1    3   13   56 o  114.386   9.1411   37.079   5.6016   35.076   8.3377   38.727   7.5626  111.194   13.876  117.579   11.903 -6.385117 18.28215 
1 1 1    3   13   57 o  259.465   5.9648  185.619   8.3509  185.418   12.134  185.800   11.511  259.189   8.6634  259.741   8.2012 -0.5516663 11.92961 
1 1 1    3   13   58 o  283.675   5.9761  221.776   9.1410  225.854   13.422  218.249   12.483  285.938   8.6870  281.413   8.2091 4.524719 11.95214 
1 1 1    3   13   59 o  194.403   6.7792  104.735   7.1030  113.545   10.504   97.312   9.6416  201.872   9.6293  186.935   9.5449 14.93695 13.55831 
1 1 1    3   13   60 o  191.085   10.885  107.180   11.166   93.063   15.625  121.914   15.963  177.286   16.310  204.883   14.418 -27.59726 21.76970 
1 1 1    3   13   61 o  128.050   15.227   53.904   9.9539   72.410   14.494   37.387   13.694  153.505   17.474  102.594   24.943 50.91071 30.45433 
1 1 1    3   13   62 o   60.028   16.786   8.8657   7.2140   14.991   14.264   6.7604   8.3624   68.142   26.670   51.914   20.391 16.22853 33.57211 
1 1 1    3   13   63 o   50.010   13.554   3.0952   5.9794   14.804   8.8997  -6.5391   8.0729   65.503   21.636   34.517   16.332 30.98594 27.10817 
1 1 1    3   13   64 o  132.821   9.3169   52.293   6.6586   59.295   9.8442   46.387   9.0404  141.224   12.900  124.419   13.447 16.80516 18.63375 
1 1 1    3   13   65 o   50.550   13.996   6.4730   6.2297  -2.0013   9.1490   13.798   8.5062   39.766   18.334   61.334   21.152 -21.56780 27.99211 
1 1 1    3   14    0 o  147.623   8.4494   58.937   6.7402   0.0000   0.0000   58.937   6.7402  ?   ?   147.623   8.4494      ?      ? 
1 1 1    3   14    1 o  333.388   7.7860  300.549   14.027   0.0000   0.0000  300.549   14.027  ?   ?   333.388   7.7860      ?      ? 
1 1 1    3   14    3 o  618.785   11.327  1036.30   37.873   0.0000   0.0000  1036.30   37.873  ?   ?   618.785   11.327      ?      ? 
1 1 1    3   14    4 o  364.001   8.0312  358.292   15.797   0.0000   0.0000  358.292   15.797  ?   ?   364.001   8.0312      ?      ? 
1 1 1    3   14    6 o  319.003   7.3594  275.325   12.684  276.126   18.088  274.549   17.793  319.457   10.478  318.549   10.337 0.9071350 14.71870 
1 1 1    3   14    7 o  614.246   11.137  1018.60   36.852  973.649   49.806  1072.97   54.782  599.379   15.378  629.114   16.115 -29.73468 22.27475 
1 1 1    3   14    8 o  591.037   10.803  946.123   34.487  929.279   47.940  964.189   49.649  585.602   15.150  596.471   15.404 -10.86841 21.60572 
1 1 1    3   14    9 o  266.670   6.9880  192.232   10.065  200.023   14.438  184.865   14.040  271.924   9.8255  261.415   9.9393 10.50980 13.97606 
1 1 1    3   14   10 o  355.535   7.7480  341.476   14.871  354.054   21.619  330.180   20.488  361.735   11.060  349.336   10.854 12.39935 15.49600 
1 1 1    3   14   11 o  162.361   7.6977   71.523   6.7313   77.410   9.4550   65.473   9.5853  169.165   10.343  155.556   11.403 13.60872 15.39547 
1 1 1    3   14   12 o  547.196   10.208  809.955   30.162  831.757   43.683  790.090   41.698  554.214   14.586  540.179   14.285 14.03497 20.41640 
1 1 1    3   14   13 o  531.860   9.9945  765.115   28.705  746.396   39.717  785.586   41.533  525.067   13.998  538.654   14.269 -13.58649 19.98905 
1 1 1    3   14   14 o  414.132   8.5069  463.974   19.035  458.559   26.674  469.595   27.172  411.672   11.991  416.592   12.070 -4.920349 17.01380 
1 1 1    3   14   15 o  602.674   11.045  982.961   35.952  963.063   49.863  1004.50   51.884  596.339   15.474  609.008   15.766 -12.66840 22.09094 
1 1 1    3   14   16 o  337.013   7.7935  307.212   14.192  306.531   20.150  307.883   19.992  336.641   11.077  337.386   10.966 -0.7449951 15.58705 
1 1 1    3   14   17 o  1225.30   20.963  4085.90  138.780  4047.30  194.261  4126.13  198.331  1219.44   29.481  1231.16   29.812 -11.71667 41.92666 
1 1 1    3   14   18 o  1599.71   27.222  6986.11  235.055  6810.81  323.398  7182.43  342.236  1578.74   37.909  1620.67   39.079 -41.92712 54.44469 
1 1 1    3   14   19 o  1260.41   21.527  4322.05  146.587  4274.77  204.897  4371.62  209.800  1253.40   30.252  1267.41   30.634 -14.00525 43.05376 
1 1 1    3   14   20 o  739.674   13.178  1482.25   52.666  1494.59   75.052  1470.27   73.923  742.701   18.701  736.647   18.571 6.053955 26.35514 
1 1 1    3   14   21 o  880.290   13.213  2122.72   60.277  2017.34   99.312  2184.18   75.845  862.409   21.311  898.171   15.627 -35.76233 26.42640 
1 1 1    3   14   22 o  704.628   8.9428  1343.17   34.048  1326.06   47.845  1360.74   48.464  700.080   12.647  709.176   12.647 -9.096069 17.88563 
1 1 1    3   14   23 o  558.772   7.4078  844.052   22.362  828.525   31.211  860.429   32.054  553.497   10.435  564.048   10.517 -10.55157 14.81550 
1 1 1    3   14   24 o  1658.86   19.844  7486.46  177.851  7409.91  248.914  7566.29  254.209  1650.26   27.913  1667.45   28.213 -17.19690 39.68774 
1 1 1    3   14   25 o  410.547   6.1532  454.581   13.620  472.108   20.078  439.639   18.538  417.853   8.8921  403.241   8.5076 14.61157 12.30644 
1 1 1    3   14   26 o  823.542   12.674  1817.79   52.263  1783.82   62.739  1894.82   94.467  811.637   14.305  835.448   20.925 -23.81104 25.34768 
1 1 1    3   14   27 o  885.769   13.502  2115.70   60.331  2092.00   73.021  2166.67  107.089  878.685   15.379  892.854   22.196 -14.16901 27.00326 
1 1 1    3   14   28 o  253.971   7.2462  174.468   9.2849  174.549   16.389  174.430   11.268  253.957   11.943  253.984   8.2100 -0.2703857E-01 14.49237 
1 1 1    3   14   29 o  665.248   8.5976  1197.82   30.903  1200.41   44.044  1195.31   43.371  665.947   12.239  664.549   12.078 1.398499 17.19513 
1 1 1    3   14   30 o  272.491   5.9014  200.158   8.6686  209.759   12.809  192.045   11.775  278.496   8.5113  266.487   8.1771 12.00876 11.80286 
1 1 1    3   14   31 o  278.190   6.0483  209.534   9.0725  192.984   12.792  226.284   12.869  267.115   8.8623  289.266   8.2332 -22.15021 12.09658 
1 1 1    3   14   32 o  254.468   6.1377  175.032   8.4231  177.036   12.336  173.281   11.529  255.824   8.9238  253.112   8.4293 2.711349 12.27545 
1 1 1    3   14   33 o  265.698   6.0706  191.116   8.7024  188.560   12.615  193.436   12.020  263.992   8.8434  267.405   8.3187 -3.413025 12.14115 
1 1 1    3   14   34 o  600.922   7.9499  977.599   25.810  959.166   36.109  996.856   36.907  595.134   11.228  606.710   11.257 -11.57648 15.89971 
1 1 1    3   14   35 o  399.023   8.7035  430.919   18.766   0.0000   0.0000  430.919   18.766  ?   ?   399.023   8.7035      ?      ? 
1 1 1    3   14   36 o  178.661   6.9021   86.728   6.6196   83.894   9.8550   89.058   8.9353  175.964   10.364  181.357   9.1178 -5.392746 13.80415 
1 1 1    3   14   37 o  284.886   5.9125  219.357   9.0811  224.730   13.367  214.752   12.375  288.105   8.5863  281.667   8.1307 6.437927 11.82510 
1 1 1    3   14   38 o  457.818   6.6597  567.940   16.472  566.134   23.505  569.683   23.091  457.089   9.5165  458.547   9.3189 -1.457855 13.31932 
1 1 1    3   14   39 o  307.772   5.8284  257.021   9.6767  243.289   13.813  270.254   13.560  299.657   8.5307  315.886   7.9441 -16.22900 11.65682 
1 1 1    3   14   40 f   71.956   11.298   14.627   5.4717  -3.0160   8.2090   28.733   7.3401   41.178   18.324  102.733   13.222 -61.55533 22.59640 
1 1 1    3   14   41 o  208.285   6.2584  117.770   7.0141  116.527   10.379  118.816   9.5160  207.233   9.2684  209.337   8.4124 -2.104095 12.51684 
1 1 1    3   14   42 o  214.068   6.0855  124.820   7.0008  119.328   10.321  129.499   9.5276  209.634   9.1114  218.503   8.0694 -8.868652 12.17094 
1 1 1    3   14   43 f  386.213   7.4402  404.937   14.577  408.559   25.497  403.179   17.767  387.027   12.192  385.399   8.5315 1.628387 14.88033 
1 1 1    3   14   44 o  478.656   9.4228  625.658   24.347  590.540   33.661  664.189   35.259  464.559   13.409  492.753   13.242 -28.19455 18.84555 
1 1 1    3   14   45 o   71.988   12.571   15.208   6.4130  -5.8829   10.631   27.275   8.0409   44.444   20.215   99.533   14.950 -55.08823 25.14260 
1 1 1    3   14   46 o  342.220   6.8308  319.578   12.345  320.894   15.881  317.568   19.623  343.435   8.5574  341.004   10.649 2.431091 13.66151 
1 1 1    3   14   47 o   84.235   14.111   19.836   5.8709   22.793   10.978   18.651   6.9479   87.889   22.889   80.581   16.511 7.308037 28.22278 
1 1 1    3   14   48 o   50.821   13.955   4.7913   5.6859  -4.4189   10.793   8.3296   6.6895   45.854   20.659   55.789   18.766 -9.935429 27.90998 
1 1 1    3   14   49 o  189.475   7.1321   98.660   7.2536  101.357   9.7936   95.383   10.796  192.520   9.4141  186.430   10.716 6.089981 14.26415 
1 1 1    3   14   50 f  171.374   6.9176   80.153   6.3816   84.076   9.5299   76.964   8.5926  175.087   10.073  167.660   9.4844 7.427795 13.83514 
1 1 1    3   14   51 o   92.063   11.462   25.060   5.4097   19.708   8.1245   29.323   7.2508   81.456   18.834  102.670   13.069 -21.21331 22.92459 
1 1 1    3   14   52 o  189.386   8.7004   98.292   8.9038   0.0000   0.0000   98.292   8.9038  ?   ?   189.386   8.7004      ?      ? 
1 1 1    3   14   53 o   63.062   13.939   11.793   5.2767   10.524   8.0833   12.736   6.9655   60.836   20.628   65.289   18.754 -4.452782 27.87847 
1 1 1    3   14   54 o   50.014   13.329   5.0160   5.3030  -0.8192   7.9319   9.7325   7.1311   41.732   18.313   58.296   19.373 -16.56433 26.65872 
1 1 1    3   14   55 f  131.746   8.3289   48.029   5.8967   55.034   8.8698   42.481   7.8936  140.291   11.700  123.202   11.857 17.08932 16.65781 
1 1 1    3   14   56 o   76.149   13.244   17.644   5.3995   20.024   8.0789   15.723   7.2589   80.737   18.859   71.562   18.600 9.175499 26.48827 
1 1 1    3   14   57 o  130.516   8.5116   47.654   5.9602   51.005   9.0912   45.127   7.8933  134.284   12.529  126.748   11.525 7.536392 17.02312 
1 1 1    3   14   58 o   71.632   14.285   16.220   5.7435   16.022   8.7124   16.372   7.6382   70.954   21.140   72.310   19.219 -1.355492 28.57018 
1 1 1    3   14   59 o   61.057   17.552   8.5298   9.3600   13.800   12.793   2.4595   13.731   67.195   25.527   54.918   24.098 12.27673 35.10441 
1 1 1    3   14   60 o   94.227   18.167   32.327   9.5652   35.248   13.095   28.986   14.006  100.302   24.395   88.151   26.926 12.15108 36.33318 
1 1 1    3   14   61 o  282.018   9.7741  230.679   14.851  254.955   21.929  210.113   20.184  295.801   13.719  268.235   13.925 27.56586 19.54819 
1 1 1    3   14   62 o   99.695   12.662   30.776   6.6618   34.492   9.9531   27.761   8.9663  105.988   17.378   93.402   18.420 12.58605 25.32388 
1 1 1    3   14   63 o  194.491   7.4331  109.452   7.7977  114.778   11.457  104.856   10.643  198.682   10.671  190.300   10.350 8.382736 14.86619 
1 1 1    3   14   64 o   70.487   14.865   18.280   6.3338   13.332   9.5887   22.110   8.4363   60.971   22.306   80.003   19.656 -19.03198 29.73050 
1 1 1    3   15    0 o  509.553   7.9255  693.394   18.799  720.721   38.247  684.688   21.587  515.893   13.720  503.213   7.9387 12.68027 15.85104 
1 1 1    3   15    1 o  574.728   7.5673  893.064   23.501   0.0000   0.0000  893.064   23.501  ?   ?   574.728   7.5673      ?      ? 
1 1 1    3   15    2 o  422.406   9.1546  482.561   20.896   0.0000   0.0000  482.561   20.896  ?   ?   422.406   9.1546      ?      ? 
1 1 1    3   15    3 o  213.945   5.5356  123.714   6.3996   0.0000   0.0000  123.714   6.3996  ?   ?   213.945   5.5356      ?      ? 
1 1 1    3   15    4 o  543.787   10.104  799.877   29.691   0.0000   0.0000  799.877   29.691  ?   ?   543.787   10.104      ?      ? 
1 1 1    3   15    5 o  468.515   9.0427  593.608   22.893   0.0000   0.0000  593.608   22.893  ?   ?   468.515   9.0427      ?      ? 
1 1 1    3   15    6 o  303.023   5.9814  249.275   8.6436  246.171   16.740  250.403   10.093  301.676   10.269  304.370   6.1368 -2.694336 11.96275 
1 1 1    3   15    7 o  175.896   6.2165   82.865   5.6536   86.374   9.5868   80.994   7.0004  178.704   9.9278  173.088   7.4846 5.615982 12.43300 
1 1 1    3   15    8 o  541.962   14.248  795.270   41.726  795.270   41.726   0.0000   0.0000  541.962   14.248  ?   ?       ?      ? 
1 1 1    3   15    9 o  305.526   10.242  252.477   16.908  252.477   16.908   0.0000   0.0000  305.526   10.242  ?   ?       ?      ? 
1 1 1    3   15   10 o  417.886   12.143  472.522   27.421  472.522   27.421   0.0000   0.0000  417.886   12.143  ?   ?       ?      ? 
1 1 1    3   15   11 o  525.839   8.6483  741.340   22.974  767.342   40.785  729.255   27.805  532.398   14.177  519.279   9.9090 13.11871 17.29655 
1 1 1    3   15   12 f  811.648   12.484  1742.39   50.057  1890.31   93.533  1683.02   59.257  834.761   20.736  788.534   13.907 46.22632 24.96737 
1 1 1    3   15   13 o  371.891   11.380  374.099   22.868  374.099   22.868   0.0000   0.0000  371.891   11.380  ?   ?       ?      ? 
1 1 1    3   15   14 o  694.251   12.451  1303.93   46.709   0.0000   0.0000  1303.93   46.709  ?   ?   694.251   12.451      ?      ? 
1 1 1    3   15   16 o  385.231   5.9907  400.922   12.466  386.798   17.397  415.827   17.872  378.261   8.5112  392.200   8.4329 -13.93924 11.98142 
1 1 1    3   15   17 o  268.226   7.6016  194.474   11.018   0.0000   0.0000  194.474   11.018  ?   ?   268.226   7.6016      ?      ? 
1 1 1    3   15   18 o  945.652   11.592  2421.37   59.228  2438.11   84.444  2405.15   83.095  948.860   16.469  942.444   16.317 6.415833 23.18354 
1 1 1    3   15   19 o  430.359   6.3100  500.764   14.673  495.568   20.754  505.956   20.748  428.125   8.9710  432.592   8.8760 -4.467010 12.61992 
1 1 1    3   15   20 o  823.021   14.479  1833.49   64.394   0.0000   0.0000  1833.49   64.394  ?   ?   823.021   14.479      ?      ? 
1 1 1    3   15   21 o  714.295   9.0793  1380.29   35.036  1391.56   50.162  1369.55   48.958  717.134   12.945  711.456   12.735 5.677673 18.15853 
1 1 1    3   15   22 o  1051.03   12.788  2993.09   72.617  3017.58  103.726  2969.55  101.697  1055.23   18.191  1046.83   17.978 8.393555 25.57572 
1 1 1    3   15   23 o  1074.28   13.054  3127.00   75.752  3073.00  105.410  3184.68  108.936  1064.72   18.321  1083.84   18.600 -19.12061 26.10818 
1 1 1    3   15   24 o  400.450   6.2049  433.654   13.426  427.551   18.992  439.751   18.982  397.631   8.8389  403.269   8.7108 -5.638214 12.40982 
1 1 1    3   15   25 o  184.593   8.5467   93.468   8.0200   96.035   9.8736   88.491   13.750  188.426   9.6973  180.761   14.076 7.664642 17.09341 
1 1 1    3   15   26 f  323.800   7.5553  276.490   12.257  265.257   14.650  302.703   22.380  313.190   8.6565  334.409   12.385 -21.21844 15.11053 
1 1 1    3   15   27 o  827.218   12.627  1869.05   53.661  1812.84   90.606  1899.41   66.597  817.066   20.522  837.370   14.718 -20.30463 25.25375 
1 1 1    3   15   28 o  200.332   8.1904  108.678   8.1220  108.491   14.832  108.758   9.7069  200.138   13.714  200.526   8.9582 -0.3886566 16.38072 
1 1 1    3   15   29 o  671.833   12.240  1222.01   44.435   0.0000   0.0000  1222.01   44.435  ?   ?   671.833   12.240      ?      ? 
1 1 1    3   15   30 o  340.044   6.1830  312.957   11.354  303.746   16.182  321.888   15.934  335.105   8.9362  344.984   8.5475 -9.879120 12.36592 
1 1 1    3   15   31 o  374.095   6.2598  378.681   12.650  366.297   17.860  391.146   17.918  367.950   8.9827  380.241   8.7208 -12.29050 12.51958 
1 1 1    3   15   32 o  363.664   6.2482  358.088   12.267  350.190   17.605  365.542   17.103  359.750   9.0563  367.577   8.6106 -7.827301 12.49638 
1 1 1    3   15   33 o  218.228   6.7605  130.340   7.8829  112.591   11.454  146.313   10.866  203.920   10.394  232.537   8.6471 -28.61728 13.52100 
1 1 1    3   15   34 o  371.992   8.7004  374.574   17.489   0.0000   0.0000  374.574   17.489  ?   ?   371.992   8.7004      ?      ? 
1 1 1    3   15   35 o  518.800   7.2343  728.703   20.265  742.606   29.341  716.020   28.024  523.508   10.372  514.092   10.088 9.416260 14.46853 
1 1 1    3   15   36 o  466.336   6.7686  589.103   17.053  574.352   24.012  604.115   24.224  460.436   9.6510  472.236   9.4928 -11.79984 13.53720 
1 1 1    3   15   37 o  750.928   9.5322  1532.56   38.674  1508.11   54.133  1558.06   55.271  744.822   13.450  757.033   13.511 -12.21094 19.06445 
1 1 1    3   15   38 o  116.644   9.5330   37.748   5.8642   33.061   8.9941   41.214   7.7341  110.114   15.116  123.174   11.620 -13.06011 19.06591 
1 1 1    3   15   39 o  414.583   6.3798  466.223   14.286  460.731   20.435  471.473   19.980  412.168   9.1750  416.997   8.8671 -4.829041 12.75954 
1 1 1    3   15   40 o  300.141   5.9352  244.179   9.6023  221.634   13.395  268.015   13.773  285.858   8.6715  314.425   8.1062 -28.56726 11.87033 
1 1 1    3   15   41 o  337.951   7.3669  310.025   12.551  312.387   22.211  308.916   15.213  338.491   12.143  337.410   8.3440 1.080170 14.73384 
1 1 1    3   15   42 o   92.901   14.832   23.520   6.9071   29.302   12.260   20.831   8.3602  100.534   23.058   85.267   18.663 15.26738 29.66409 
1 1 1    3   15   43 o  358.697   8.1744  350.706   15.738  353.604   23.710  348.423   21.041  359.826   12.194  357.568   10.890 2.257751 16.34888 
1 1 1    3   15   44 o   96.294   11.701   25.859   5.9162   30.636   8.7278   21.797   8.0472  105.419   15.321   87.169   17.689 18.24944 23.40162 
1 1 1    3   15   45 o  253.726   5.8791  175.452   8.0373  169.326   11.693  180.939   11.066  249.445   8.6749  258.008   7.9372 -8.562805 11.75811 
1 1 1    3   15   46 o  234.688   5.9803  149.049   7.5466  158.354   11.368  141.716   10.091  241.143   8.7239  228.232   8.1822 12.91139 11.96053 
1 1 1    3   15   47 o  182.107   6.6408   91.296   6.4804   81.804   9.4407   99.753   8.9116  172.932   10.103  191.283   8.6217 -18.35141 13.28151 
1 1 1    3   15   48 o  199.348   7.9905  115.461   7.8355   92.815   13.539  126.866   9.6081  183.006   13.691  215.689   8.2437 -32.68289 15.98104 
1 1 1    3   15   49 o  272.272   6.0279  202.863   8.8478  194.769   12.791  210.289   12.252  266.935   8.8677  277.610   8.1673 -10.67493 12.05574 
1 1 1    3   15   50 o   52.678   13.976   4.9421   5.8068  -1.0728   8.1105   11.268   8.3175   42.280   18.537   63.077   20.920 -20.79633 27.95155 
1 1 1    3   15   51 o   58.223   13.826   8.3447   5.2878   14.389   8.2646   4.1553   6.8805   69.447   20.566   46.998   18.484 22.44903 27.65224 
1 1 1    3   15   52 o  205.553   6.3807  116.914   7.0353  107.420   10.307  125.195   9.6264  197.431   9.6615  213.676   8.3372 -16.24501 12.76144 
1 1 1    3   15   53 o  148.596   7.7885   61.806   6.1812   57.158   9.2511   65.554   8.3079  143.153   11.959  154.040   9.9809 -10.88763 15.57701 
1 1 1    3   15   54 f  205.839   6.4164  116.873   7.1034  116.686   10.560  117.028   9.5999  205.483   9.5104  206.196   8.6159 -0.7137604 12.83284 
1 1 1    3   15   55 o  105.753   10.983   31.620   5.7897   48.877   8.9950   19.413   7.5651  131.602   12.649   79.904   17.958 51.69866 21.96564 
1 1 1    3   15   56 o  107.464   10.430   32.923   6.0117   35.767   9.2004   30.804   7.9415  111.223   15.308  103.705   14.171 7.517784 20.86076 
1 1 1    3   15   57 o  233.267   6.4343  150.656   8.0616  152.574   12.110  149.130   10.803  234.287   9.5654  232.246   8.6083 2.041290 12.86855 
1 1 1    3   15   58 o  204.705   10.804  122.619   11.921  132.185   16.893  113.131   16.825  213.284   14.658  196.126   15.876 17.15819 21.60744 
1 1 1    3   15   59 o  139.043   14.185   60.423   10.590   52.680   14.183   70.180   15.921  128.762   20.384  149.324   19.731 -20.56143 28.36954 
1 1 1    3   15   60 o  211.473   10.836  133.242   12.333  141.802   17.161  124.099   17.736  219.564   14.464  203.383   16.138 16.18063 21.67153 
1 1 1    3   15   61 o   43.716   13.787  -0.7004   6.5590   1.2667   9.9515  -2.2113   8.7214   46.816   20.529   40.616   18.410 6.200317 27.57493 
1 1 1    3   15   62 o  110.292   12.038   38.549   6.8022   52.420   10.371   28.076   9.0114  130.036   14.759   90.548   19.022 39.48807 24.07648 
1 1 1    3   15   63 o  124.139   10.372   45.692   6.8628   57.290   10.654   37.466   8.9723  137.583   14.330  110.695   15.000 26.88798 20.74484 
1 1 1    3   15   64 o  107.967   12.199   38.172   6.6876   52.709   9.9659   26.263   9.0201  130.253   14.159   85.680   19.869 44.57335 24.39762 
1 1 1    3   16    0 o  553.916   8.9143  828.767   25.103  834.910   43.734  825.749   30.657  555.294   14.575  552.539   10.268 2.755371 17.82860 
1 1 1    3   16    1 o  424.262   6.2940  486.521   14.429   0.0000   0.0000  486.521   14.429  ?   ?   424.262   6.2940      ?      ? 
1 1 1    3   16    2 o  891.400   10.989  2149.47   52.933   0.0000   0.0000  2149.47   52.933  ?   ?   891.400   10.989      ?      ? 
1 1 1    3   16    3 o  502.278   9.5699  682.252   25.974   0.0000   0.0000  682.252   25.974  ?   ?   502.278   9.5699      ?      ? 
1 1 1    3   16    4 o  675.371   12.093  1234.16   44.132   0.0000   0.0000  1234.16   44.132  ?   ?   675.371   12.093      ?      ? 
1 1 1    3   16    5 o  279.622   5.5279  211.315   8.3526   0.0000   0.0000  211.315   8.3526  ?   ?   279.622   5.5279      ?      ? 
1 1 1    3   16    6 o  539.289   10.075  786.539   29.359   0.0000   0.0000  786.539   29.359  ?   ?   539.289   10.075      ?      ? 
1 1 1    3   16    7 o  492.087   7.7617  658.693   18.049  647.297   35.405  662.694   20.979  489.061   13.397  495.113   7.8414 -6.051666 15.52332 
1 1 1    3   16    8 o  645.697   8.3403  1127.28   29.088  1146.79   41.866  1109.08   40.445  651.087   11.900  640.308   11.689 10.77911 16.68059 
1 1 1    3   16    9 o  173.345   6.3531   81.283   5.9332   89.615   8.4764   73.279   8.3076  182.063   8.6159  164.626   9.3388 17.43752 12.70621 
1 1 1    3   16   13 o  767.318   9.6359  1593.07   39.953  1595.58   56.672  1590.58   56.333  767.918   13.657  766.718   13.597 1.199768 19.27176 
1 1 1    3   16   14 o  987.504   12.110  2638.23   64.569  2574.28   89.203  2708.60   93.583  974.975   16.932  1000.03   17.318 -25.05847 24.21952 
1 1 1    3   16   15 o  518.145   7.1130  726.017   19.915  721.066   28.201  730.942   28.127  516.381   10.107  519.909   10.012 -3.528564 14.22592 
1 1 1    3   16   16 o  667.739   8.5721  1206.23   30.930  1205.24   43.841  1207.21   43.641  667.465   12.155  668.014   12.090 -0.5491333 17.14410 
1 1 1    3   16   18 o  994.654   12.158  2679.99   65.347  2682.75   92.663  2677.26   92.170  995.158   17.232  994.150   17.157 1.007507 24.31666 
1 1 1    3   16   19 o  216.027   6.1795  126.175   7.2136  126.598   10.198  125.751   10.205  216.390   8.7211  215.664   8.7573 0.7261200 12.35909 
1 1 1    3   16   21 f  653.868   11.963  1156.83   42.270   0.0000   0.0000  1156.83   42.270  ?   ?   653.868   11.963      ?      ? 
1 1 1    3   16   22 o  374.074   6.1022  378.218   12.325  382.403   17.835  374.392   17.051  376.049   8.7771  372.100   8.4801 3.948975 12.20448 
1 1 1    3   16   23 o  811.219   10.173  1778.10   44.518  1712.03   60.824  1854.32   65.332  795.061   14.158  827.377   14.613 -32.31549 20.34636 
1 1 1    3   16   24 o  829.886   12.712  1877.49   54.207  1899.27   67.204  1836.94   91.703  837.319   14.853  822.454   20.634 14.86450 25.42400 
1 1 1    3   16   25 o  587.775   15.907  936.261   50.523   0.0000   0.0000  936.261   50.523  ?   ?   587.775   15.907      ?      ? 
1 1 1    3   16   26 o  420.421   8.0416  468.549   16.786  503.153   31.026  454.229   19.959  431.037   13.321  409.804   9.0131 21.23300 16.08329 
1 1 1    3   16   27 o  670.946   10.651  1229.42   36.693  1189.64   61.993  1250.88   45.523  662.190   17.325  679.703   12.394 -17.51294 21.30198 
1 1 1    3   16   28 o  113.947   11.290   35.047   6.9240   39.777   10.138   30.911   9.4792  121.133   15.488  106.760   16.431 14.37298 22.58023 
1 1 1    3   16   29 o  325.387   8.9471  286.437   15.732  286.437   15.732   0.0000   0.0000  325.387   8.9471  ?   ?       ?      ? 
1 1 1    3   16   30 o  582.743   7.8765  917.779   24.773  883.900   34.031  955.972   36.132  571.339   11.023  594.147   11.254 -22.80878 15.75298 
1 1 1    3   16   31 o  300.707   6.2371  245.041   10.117  230.123   14.382  259.656   14.235  291.617   9.1268  309.797   8.5034 -18.17944 12.47422 
1 1 1    3   16   32 o  119.188   10.910   39.034   6.5662   54.909   9.7598   25.906   8.8752  142.297   12.693   96.080   17.748 46.21684 21.81993 
1 1 1    3   16   33 o  329.765   6.1801  294.382   11.001  294.758   15.925  294.040   15.216  329.952   8.9318  329.579   8.5440 0.3729248 12.36026 
1 1 1    3   16   34 o  372.428   6.3030  375.633   12.680  363.863   17.901  387.485   17.964  366.560   9.0376  378.295   8.7881 -11.73462 12.60594 
1 1 1    3   16   35 o  362.805   8.4375  356.421   16.541   0.0000   0.0000  356.421   16.541  ?   ?   362.805   8.4375      ?      ? 
1 1 1    3   16   36 o  137.731   8.6258   52.323   6.3003   46.549   9.5528   56.767   8.3816  130.818   13.514  144.644   10.724 -13.82535 17.25151 
1 1 1    3   16   37 o  131.312   8.8663   46.645   6.2308   48.654   9.5785   45.171   8.2037  133.700   13.258  128.925   11.776 4.775024 17.73253 
1 1 1    3   16   38 f  227.144   6.4450  141.593   7.8168  123.616   11.453  157.270   10.695  213.405   9.9319  240.883   8.2165 -27.47778 12.89008 
1 1 1    3   16   39 o   81.203   15.733   15.184   6.4577   28.649   13.126   10.885   7.4174   99.430   24.572   62.975   19.655 36.45503 31.46575 
1 1 1    3   16   40 o  389.621   8.6275  414.794   18.124  385.811   25.751  443.243   25.513  375.965   12.675  403.278   11.707 -27.31311 17.25492 
1 1 1    3   16   41 o  212.222   8.7554  124.436   9.6771  116.869   15.695  129.077   12.292  206.648   14.055  217.796   10.444 -11.14784 17.51085 
1 1 1    3   16   42 o  316.525   6.8014  273.547   11.479  278.800   15.139  266.441   17.606  320.303   8.7466  312.746   10.418 7.556946 13.60288 
1 1 1    3   16   43 o  418.117   8.8888  475.669   20.083   0.0000   0.0000  475.669   20.083  ?   ?   418.117   8.8888      ?      ? 
1 1 1    3   16   44 o  360.769   6.0810  352.940   11.814  368.529   17.586  340.115   15.950  367.930   8.8451  353.608   8.3474 14.32257 12.16203 
1 1 1    3   16   45 o  237.081   6.0579  152.438   7.6992  157.698   11.731  148.459   10.204  240.558   9.0248  233.603   8.0838 6.955460 12.11586 
1 1 1    3   16   46 o  231.478   6.1491  146.411   7.6606  142.776   11.270  149.533   10.444  228.694   9.1198  234.262   8.2508 -5.567902 12.29824 
1 1 1    3   16   47 o  235.094   6.0906  150.986   7.6993  149.554   11.439  152.172   10.410  233.950   9.0488  236.238   8.1549 -2.287781 12.18126 
1 1 1    3   16   48 o  247.512   6.0606  166.532   8.0610  174.813   12.166  160.052   10.763  252.863   8.9037  242.161   8.2249 10.70195 12.12121 
1 1 1    3   16   49 f   69.274   15.762   13.745   6.2175   13.601   12.149   13.796   7.2371   70.300   25.193   68.248   18.950 2.052750 31.52438 
1 1 1    3   16   50 o  265.854   6.7929  193.458   9.6522  188.809   12.680  199.865   14.884  262.376   8.9433  269.332   10.227 -6.956238 13.58581 
1 1 1    3   16   51 o   43.844   13.298  -0.7240   5.9072   4.5121   8.3320  -6.0158   8.3761   50.264   20.153   37.424   17.355 12.84056 26.59646 
1 1 1    3   16   52 o  128.791   8.6048   46.299   5.9495   46.477   8.9377   46.157   7.9724  128.775   12.844  128.807   11.454 -0.3199768E-01 17.20959 
1 1 1    3   16   53 o  119.912   9.3396   39.680   5.9545   51.185   9.1196   31.130   7.8617  135.003   12.501  104.822   13.880 30.18160 18.67928 
1 1 1    3   16   54 o   94.034   11.285   25.422   5.5714   28.960   8.6891   22.952   7.2604  100.003   16.080   88.064   15.840 11.93943 22.57081 
1 1 1    3   16   55 o  320.604   6.1624  284.032   10.663  283.849   15.463  284.198   14.723  320.324   8.9333  320.883   8.4910 -0.5586243 12.32481 
1 1 1    3   16   56 o   72.655   13.268   14.401   6.0411   29.513   9.3070   3.3982   7.9414   98.439   18.166   46.871   19.344 51.56832 26.53638 
1 1 1    3   16   57 o  179.723   12.114   96.407   11.692  108.671   16.651   84.482   16.420  192.048   16.045  167.397   18.152 24.65109 24.22746 
1 1 1    3   16   58 o   97.203   18.982   34.477   10.318   36.036   14.273   32.770   14.935  100.405   26.074   94.001   27.594 6.404358 37.96428 
1 1 1    3   16   59 o  106.075   18.876   40.781   10.903   33.896   15.043   48.401   15.826   95.129   27.628  117.020   25.728 -21.89051 37.75245 
1 1 1    3   16   60 o   98.196   18.881   30.508   9.6547   0.0000   0.0000   30.508   9.6547  ?   ?    98.196   18.881      ?      ? 
1 1 1    3   16   61 o   32.469   11.197 -12.1337   6.4439 -18.3997   10.158  -7.9139   8.3359   31.515   15.637   33.424   16.030 -1.909439 22.39360 
1 1 1    3   16   62 o   45.739   14.267   1.8860   6.9324  -1.2043   10.771   4.0713   9.0578   44.260   20.215   47.218   20.138 -2.957520 28.53352 
1 1 1    3   16   63 f   48.460   14.657   3.9277   6.8659   12.375   10.913  -1.6063   8.8331   57.691   23.088   39.229   18.061 18.46189 29.31303 
1 1 1    3   17    0 o  224.533   6.2318  131.415   7.1786  151.644   12.636  121.775   8.7230  236.816   9.8742  212.250   7.6055 24.56641 12.46369 
1 1 1    3   17    1 o  607.643   11.490  998.666   37.728   0.0000   0.0000  998.666   37.728  ?   ?   607.643   11.490      ?      ? 
1 1 1    3   17    2 o  425.376   8.6834  489.180   19.959   0.0000   0.0000  489.180   19.959  ?   ?   425.376   8.6834      ?      ? 
1 1 1    3   17    3 o  531.364   10.580  763.538   30.378   0.0000   0.0000  763.538   30.378  ?   ?   531.364   10.580      ?      ? 
1 1 1    3   17    4 f  790.913   9.9344  1691.43   42.458   0.0000   0.0000  1691.43   42.458  ?   ?   790.913   9.9344      ?      ? 
1 1 1    3   17    5 o  681.951   8.7476  1257.26   32.235   0.0000   0.0000  1257.26   32.235  ?   ?   681.951   8.7476      ?      ? 
1 1 1    3   17    6 o  1143.76   13.884  3539.79   85.812   0.0000   0.0000  3539.79   85.812  ?   ?   1143.76   13.884      ?      ? 
1 1 1    3   17    7 o  804.608   12.236  1755.59   50.253  1745.95   86.564  1760.49   61.718  802.631   19.959  806.584   14.160 -3.952881 24.47182 
1 1 1    3   17    8 o  829.121   11.875  1858.53   46.036  1867.34   92.267  1855.61   53.120  829.969   20.573  828.273   11.869 1.695740 23.75098 
1 1 1    3   17   10 o  768.367   9.6694  1597.58   40.147  1589.69   56.639  1605.55   56.914  766.461   13.675  770.274   13.674 -3.813110 19.33873 
1 1 1    3   17   13 o  555.734   7.4899  835.230   22.492  828.625   31.718  841.910   31.899  553.524   10.604  557.945   10.580 -4.420837 14.97986 
1 1 1    3   17   14 o  404.897   6.2975  443.224   13.776  444.723   19.675  441.782   19.296  405.566   8.9777  404.227   8.8338 1.338623 12.59509 
1 1 1    3   17   15 o  865.523   10.755  2026.92   50.278  1986.94   69.879  2069.83   72.396  856.693   15.095  874.353   15.323 -17.66003 21.50931 
1 1 1    3   17   16 o  387.284   6.1631  405.322   12.895  394.345   18.015  416.855   18.465  381.909   8.7294  392.659   8.7026 -10.74927 12.32628 
1 1 1    3   17   17 o  603.378   11.338  984.833   36.967   0.0000   0.0000  984.833   36.967  ?   ?   603.378   11.338      ?      ? 
1 1 1    3   17   18 o  644.415   8.4137  1121.40   29.261  1082.08   40.160  1165.89   42.721  632.411   11.752  656.420   12.044 -24.00848 16.82750 
1 1 1    3   17   21 o  194.201   6.9205  101.761   7.2522  109.364   10.538   94.922   9.9953  201.076   9.6991  187.325   9.8744 13.75072 13.84106 
1 1 1    3   17   23 o  405.623   6.6352  445.017   14.543  441.945   20.565  448.089   20.569  404.222   9.4151  407.025   9.3521 -2.802765 13.27045 
1 1 1    3   17   24 o  1057.42   16.072  2982.68   84.286  2896.39  100.202  3191.44  155.860  1033.15   17.948  1081.69   26.665 -48.54150 32.14303 
1 1 1    3   17   25 o  618.101   10.095  1048.16   32.265  988.739   53.305  1082.53   40.534  603.833   16.337  632.369   11.862 -28.53650 20.18913 
1 1 1    3   17   26 o  737.225   11.527  1490.63   43.975  1414.19   72.654  1534.82   55.243  721.721   18.630  752.729   13.582 -31.00867 23.05480 
1 1 1    3   17   27 o  1028.80   17.831  2874.64   99.131   0.0000   0.0000  2874.64   99.131  ?   ?   1028.80   17.831      ?      ? 
1 1 1    3   17   28 o  424.834   6.6579  488.048   15.271  496.776   22.149  480.142   21.082  428.440   9.5671  421.228   9.2620 7.211884 13.31589 
1 1 1    3   17   29 o  398.139   6.5122  428.306   13.999  405.861   19.402  452.676   20.217  387.271   9.2715  409.006   9.1474 -21.73468 13.02441 
1 1 1    3   17   30 o  346.111   6.2523  323.725   11.672  331.870   17.120  316.653   15.953  350.159   9.0482  342.064   8.6309 8.094604 12.50451 
1 1 1    3   17   31 o  221.216   6.7416  132.459   8.0534  134.344   11.636  130.725   11.158  222.719   9.6684  219.713   9.3979 3.005707 13.48327 
1 1 1    3   17   32 o  343.943   8.5367  320.254   15.866   0.0000   0.0000  320.254   15.866  ?   ?   343.943   8.5367      ?      ? 
1 1 1    3   17   33 o  513.501   10.113  714.596   28.062   0.0000   0.0000  714.596   28.062  ?   ?   513.501   10.113      ?      ? 
1 1 1    3   17   34 o  166.933   10.209   75.563   9.2094   0.0000   0.0000   75.563   9.2094  ?   ?   166.933   10.209      ?      ? 
1 1 1    3   17   35 o  287.235   6.1176  223.566   9.4795  223.853   13.814  223.311   13.032  287.384   8.8957  287.085   8.4005 0.2989502 12.23528 
1 1 1    3   17   36 o  272.593   9.5070  201.573   14.004  201.573   14.004   0.0000   0.0000  272.593   9.5070  ?   ?       ?      ? 
1 1 1    3   17   37 o  279.352   8.6566  216.480   12.814  177.477   18.781  250.450   17.527  255.111   13.624  303.593   10.684 -48.48166 17.31316 
1 1 1    3   17   38 o  297.172   8.3433  243.779   13.203  215.811   19.681  266.667   17.803  281.216   12.951  313.129   10.522 -31.91217 16.68669 
1 1 1    3   17   39 o  106.454   14.613   33.139   7.3952   29.459   13.815   34.617   8.7551  100.461   25.426  112.447   14.409 -11.98579 29.22521 
1 1 1    3   17   40 o  124.852   9.2922   43.938   6.0003   37.356   9.5745   48.195   7.7001  116.666   15.187  133.036   10.711 -16.37012 18.58449 
1 1 1    3   17   41 o  284.645   5.9979  220.378   9.1610  218.477   13.762  221.891   12.276  283.441   8.9851  285.849   7.9477 -2.407318 11.99575 
1 1 1    3   17   42 o  165.088   7.3884   75.058   6.4635   70.612   10.012   78.234   8.4635  160.679   11.531  169.498   9.2405 -8.818878 14.77675 
1 1 1    3   17   43 o  180.631   6.9883   89.237   6.7530   87.302   10.239   90.726   8.9838  178.763   10.600  182.498   9.1099 -3.734756 13.97665 
1 1 1    3   17   44 o  103.188   10.914   30.786   5.6803   26.205   8.9758   33.846   7.3363   95.358   18.081  111.017   12.229 -15.65964 21.82825 
1 1 1    3   17   45 o   54.134   14.095   6.0390   5.3711   10.403   8.7542   3.4045   6.8018   62.334   21.460   45.934   18.279 16.40007 28.18977 
1 1 1    3   17   46 o  198.236   6.6518  106.631   7.0772  114.704   10.785  100.526   9.3792  204.682   9.7509  191.790   9.0501 12.89174 13.30352 
1 1 1    3   17   47 o  286.098   6.0746  223.997   9.3676  218.256   13.636  229.129   12.891  282.491   8.9328  289.706   8.2347 -7.214569 12.14929 
1 1 1    3   17   48 o  112.467   10.062   35.563   6.0146   34.491   9.2969   36.335   7.8876  110.621   15.553  114.314   12.769 -3.693092 20.12331 
1 1 1    3   17   49 o  181.666   9.0791   94.189   7.9590   86.779   14.767   97.222   9.4488  175.186   15.600  188.146   9.2938 -12.96036 18.15825 
1 1 1    3   17   50 o   52.607   15.391   2.7519   6.3191   8.8333   12.599   0.7079   7.3043   62.986   24.936   42.227   18.048 20.75847 30.78251 
1 1 1    3   17   51 o  265.937   6.9837  194.201   9.9782  185.446   13.300  205.473   15.092  259.342   9.4906  272.532   10.248 -13.19052 13.96745 
1 1 1    3   17   52 o  189.815   7.5039  101.705   7.5664   86.534   11.156  114.629   10.297  175.908   11.737  203.722   9.3533 -27.81433 15.00775 
1 1 1    3   17   53 o  199.863   7.1635  112.811   7.5909   98.421   11.399  124.276   10.175  187.577   11.246  212.148   8.8757 -24.57207 14.32693 
1 1 1    3   17   54 o  214.911   7.0202  127.665   8.0892  134.768   12.356  122.338   10.701  219.808   10.403  210.014   9.4299 9.794357 14.04049 
1 1 1    3   17   55 o  124.231   10.864   44.825   7.1160   44.460   11.307   45.064   9.1571  122.835   17.034  125.627   13.489 -2.792366 21.72836 
1 1 1    3   17   56 o  258.620   11.745  198.100   16.407  203.649   23.595  192.905   22.829  262.050   16.663  255.191   16.556 6.859665 23.48917 
1 1 1    3   17   57 o  230.610   13.027  162.691   16.177  176.914   24.131  151.081   21.802  239.343   18.658  221.876   18.184 17.46724 26.05360 
1 1 1    3   17   58 o  156.126   20.133   84.387   16.180  132.207   25.850   53.581   20.747  197.673   24.200  114.580   32.183 83.09317 40.26622 
1 1 1    3   17   60 o   72.041   14.972   13.108   7.7202   39.532   12.678  -2.4646   9.7327  103.291   23.273   40.790   18.843 62.50055 29.94454 
1 1 1    3   17   61 o  163.025   10.222   79.260   8.7282   85.447   14.365   75.639   10.989  166.004   16.014  160.046   12.707 5.957642 20.44312 
1 1 1    3   17   62 o   98.786   15.730   39.227   8.2260   28.726   13.992   44.775   10.169   79.313   27.138  118.258   15.914 -38.94520 31.45977 
1 1 1    3   18    0 o  221.008   6.1052  132.012   7.2912   0.0000   0.0000  132.012   7.2912  ?   ?   221.008   6.1052      ?      ? 
1 1 1    3   18    1 o  496.990   10.322  667.953   27.721   0.0000   0.0000  667.953   27.721  ?   ?   496.990   10.322      ?      ? 
1 1 1    3   18    2 o  488.328   8.0127  644.644   21.144   0.0000   0.0000  644.644   21.144  ?   ?   488.328   8.0127      ?      ? 
1 1 1    3   18    3 o  262.252   7.5990  185.913   10.769   0.0000   0.0000  185.913   10.769  ?   ?   262.252   7.5990      ?      ? 
1 1 1    3   18    4 o  984.090   12.087  2619.85   64.276   0.0000   0.0000  2619.85   64.276  ?   ?   984.090   12.087      ?      ? 
1 1 1    3   18    5 o  440.592   8.9397  524.848   21.284   0.0000   0.0000  524.848   21.284  ?   ?   440.592   8.9397      ?      ? 
1 1 1    3   18    6 o  634.901   11.575  1090.38   39.711   0.0000   0.0000  1090.38   39.711  ?   ?   634.901   11.575      ?      ? 
1 1 1    3   18    7 f  345.775   6.8157  323.163   12.735   0.0000   0.0000  323.163   12.735  ?   ?   345.775   6.8157      ?      ? 
1 1 1    3   18    8 o  834.880   12.595  1905.64   54.371  1828.15   90.277  1949.74   68.108  821.088   20.347  848.672   14.852 -27.58386 25.19064 
1 1 1    3   18    9 o  215.466   7.6811  129.771   8.5704  108.513   13.577  143.853   11.050  200.268   12.546  230.664   8.8656 -30.39589 15.36226 
1 1 1    3   18   10 o  467.683   6.8323  590.620   17.249  608.970   25.096  574.189   23.747  474.553   9.7865  460.812   9.5367 13.74139 13.66469 
1 1 1    3   18   11 o  680.500   8.8283  1251.28   32.436  1215.13   44.764  1291.26   47.066  670.172   12.361  690.828   12.608 -20.65619 17.65670 
1 1 1    3   18   12 o  632.836   8.3466  1083.09   28.537  1067.14   39.907  1099.78   40.825  628.073   11.758  637.600   11.849 -9.526672 16.69313 
1 1 1    3   18   13 o  881.531   10.960  2102.52   52.178  2055.63   72.265  2153.59   75.417  871.291   15.349  891.771   15.650 -20.48029 21.92086 
1 1 1    3   18   14 o  267.034   6.3052  192.987   9.0873  182.536   12.873  203.367   12.830  259.815   9.1693  274.253   8.6571 -14.43716 12.61038 
1 1 1    3   18   15 o  551.289   10.691  822.125   31.848   0.0000   0.0000  822.125   31.848  ?   ?   551.289   10.691      ?      ? 
1 1 1    3   18   16 o  683.003   8.8625  1262.49   32.707  1252.62   45.904  1272.66   46.612  680.298   12.487  685.708   12.580 -5.409485 17.72509 
1 1 1    3   18   17 o  849.861   15.071  1956.75   69.213   0.0000   0.0000  1956.75   69.213  ?   ?   849.861   15.071      ?      ? 
1 1 1    3   18   18 o  268.109   8.9286  194.403   12.935   0.0000   0.0000  194.403   12.935  ?   ?   268.109   8.9286      ?      ? 
1 1 1    3   18   20 o  494.648   7.2113  661.495   19.269  643.705   26.860  680.360   27.659  487.801   10.190  501.496   10.207 -13.69540 14.42251 
1 1 1    3   18   21 o  1165.04   14.185  3682.76   89.228  3597.31  123.265  3776.82  129.328  1150.93   19.820  1179.15   20.297 -28.21985 28.36911 
1 1 1    3   18   23 o  768.632   12.075  1593.42   46.983  1576.61   57.053  1628.83   82.813  762.895   13.840  774.369   19.791 -11.47406 24.14986 
1 1 1    3   18   24 o  343.900   6.6226  320.113   12.299  308.337   17.439  331.769   17.350  337.594   9.5593  350.205   9.1682 -12.61172 13.24525 
1 1 1    3   18   25 f  673.667   10.755  1238.60   37.212  1206.31   62.937  1255.95   46.142  666.449   17.476  680.885   12.541 -14.43591 21.51040 
1 1 1    3   18   26 o  223.367   7.3942  135.614   8.8854  122.689   12.690  148.044   12.445  212.860   11.033  233.875   9.8474 -21.01567 14.78839 
1 1 1    3   18   27 o  810.900   14.430  1783.52   63.229   0.0000   0.0000  1783.52   63.229  ?   ?   810.900   14.430      ?      ? 
1 1 1    3   18   29 o  304.205   8.7895  250.527   14.448   0.0000   0.0000  250.527   14.448  ?   ?   304.205   8.7895      ?      ? 
1 1 1    3   18   31 o  162.698   7.9670   71.590   6.9910   74.873   10.279   68.764   9.5362  166.149   11.449  159.247   11.082 6.902481 15.93404 
1 1 1    3   18   32 o  379.139   8.7916  389.382   18.012   0.0000   0.0000  389.382   18.012  ?   ?   379.139   8.7916      ?      ? 
1 1 1    3   18   33 o  298.015   6.1845  241.165   9.9365  231.125   14.352  250.409   13.771  292.010   9.0956  304.021   8.3823 -12.01111 12.36900 
1 1 1    3   18   34 o  103.933   16.388   31.236   8.7627   29.482   14.273   32.297   11.101  101.102   25.984  106.765   19.976 -5.662567 32.77538 
1 1 1    3   18   35 o  326.630   8.7239  292.312   15.292  263.513   22.166  318.468   21.124  311.005   13.189  342.254   11.422 -31.24939 17.44782 
1 1 1    3   18   36 f  294.145   8.5438  237.680   13.435  218.784   20.023  253.153   18.119  283.216   13.083  305.075   10.991 -21.85876 17.08761 
1 1 1    3   18   37 o  109.332   12.437   34.240   6.9307   24.071   9.8333   44.279   9.7701   91.462   20.414  127.201   14.214 -35.73937 24.87475 
1 1 1    3   18   38 o  274.027   6.2566  204.514   9.2272  196.061   13.500  211.925   12.641  268.625   9.3003  279.430   8.3717 -10.80438 12.51322 
1 1 1    3   18   39 o  344.517   6.2333  322.832   11.582  317.186   16.818  327.925   15.975  341.581   9.1116  347.452   8.5084 -5.870544 12.46651 
1 1 1    3   18   40 o  141.402   10.898   54.579   8.3269   0.0000   0.0000   54.579   8.3269  ?   ?   141.402   10.898      ?      ? 
1 1 1    3   18   41 o  295.591   8.3361  237.633   13.315   0.0000   0.0000  237.633   13.315  ?   ?   295.591   8.3361      ?      ? 
1 1 1    3   18   42 o  117.349   10.603   39.143   6.4016   34.084   10.405   42.224   8.1204  110.614   17.408  124.084   12.111 -13.47044 21.20625 
1 1 1    3   18   43 o  179.928   9.6863   88.426   9.4177   0.0000   0.0000   88.426   9.4177  ?   ?   179.928   9.6863      ?      ? 
1 1 1    3   18   44 o  361.292   8.8626  356.388   17.302   0.0000   0.0000  356.388   17.302  ?   ?   361.292   8.8626      ?      ? 
1 1 1    3   18   50 o   87.949   26.707   25.045   13.808   25.045   13.808   0.0000   0.0000   87.949   26.707  ?   ?       ?      ? 
1 1 1    3   18   51 o  112.965   13.936   36.211   8.5072   0.0000   0.0000   36.211   8.5072  ?   ?   112.965   13.936      ?      ? 
1 1 1    3   18   52 o   78.379   20.536   19.234   8.8023   0.0000   0.0000   19.234   8.8023  ?   ?    78.379   20.536      ?      ? 
1 1 1    3   18   53 o  245.022   9.0495  166.176   11.982   0.0000   0.0000  166.176   11.982  ?   ?   245.022   9.0495      ?      ? 
1 1 1    3   18   54 o  268.522   17.477  213.739   25.359   0.0000   0.0000  213.739   25.359  ?   ?   268.522   17.477      ?      ? 
1 1 1    3   18   55 o  222.565   14.550  152.274   17.367  166.036   26.583  142.027   22.939  230.107   21.379  215.023   19.742 15.08385 29.10044 
1 1 1    3   18   56 o  123.823   22.842   59.703   16.029   88.401   24.874   39.324   20.961  151.669   31.385   95.978   33.198 55.69109 45.68488 
1 1 1    3   18   57 o   67.630   19.805  -0.6821   8.6275   44.482   24.195  -7.2609   9.2345   98.017   35.497   37.242   17.574 60.77494 39.60960 
1 1 1    3   18   59 o   65.665   16.964   15.783   7.5415   20.745   12.826   13.161   9.3236   70.863   25.817   60.467   22.014 10.39584 33.92839 
1 1 1    3   18   60 o  164.558   12.222   79.456   10.868   0.0000   0.0000   79.456   10.868  ?   ?   164.558   12.222      ?      ? 
1 1 1    3   18   61 o  130.826   12.111   55.575   8.2309   57.899   13.598   54.232   10.340  129.708   19.401  131.943   14.503 -2.235611 24.22246 
1 1 1    3   19    0 o  657.913   8.6020  1170.26   30.581   0.0000   0.0000  1170.26   30.581  ?   ?   657.913   8.6020      ?      ? 
1 1 1    3   19    1 o  163.714   7.6585   72.453   6.7751   0.0000   0.0000   72.453   6.7751  ?   ?   163.714   7.6585      ?      ? 
1 1 1    3   19    2 o  1063.62   13.016  3061.17   74.808   0.0000   0.0000  3061.17   74.808  ?   ?   1063.62   13.016      ?      ? 
1 1 1    3   19    3 o  653.018   11.918  1153.61   42.054   0.0000   0.0000  1153.61   42.054  ?   ?   653.018   11.918      ?      ? 
1 1 1    3   19    4 o  477.882   9.4923  617.521   24.512   0.0000   0.0000  617.521   24.512  ?   ?   477.882   9.4923      ?      ? 
1 1 1    3   19    5 o  464.649   6.9203  583.575   17.376   0.0000   0.0000  583.575   17.376  ?   ?   464.649   6.9203      ?      ? 
1 1 1    3   19    6 o  408.301   6.5523  450.600   14.456   0.0000   0.0000  450.600   14.456  ?   ?   408.301   6.5523      ?      ? 
1 1 1    3   19    7 o  942.343   16.345  2405.30   83.230   0.0000   0.0000  2405.30   83.230  ?   ?   942.343   16.345      ?      ? 
1 1 1    3   19    8 o  399.980   7.2494  433.267   13.583  431.531   27.092  433.850   15.699  399.342   12.555  400.618   7.2521 -1.275238 14.49883 
1 1 1    3   19    9 o  572.085   8.8553  876.504   23.638  903.829   47.830  867.673   27.191  577.700   15.322  566.470   8.8831 11.22992 17.71059 
1 1 1    3   19   10 o  491.005   10.085  652.067   26.757   0.0000   0.0000  652.067   26.757  ?   ?   491.005   10.085      ?      ? 
1 1 1    3   19   11 o  851.581   10.689  1963.19   49.168  1926.89   68.406  2002.00   70.720  843.455   15.009  859.708   15.223 -16.25269 21.37767 
1 1 1    3   19   12 o  1038.54   12.738  2924.68   71.479  2897.04  100.277  2953.23  101.914  1033.57   17.955  1043.52   18.074 -9.949219 25.47603 
1 1 1    3   19   13 o  679.662   12.590  1250.47   46.237   0.0000   0.0000  1250.47   46.237  ?   ?   679.662   12.590      ?      ? 
1 1 1    3   19   15 o  927.560   11.521  2331.49   57.739  2306.63   80.815  2357.40   82.524  922.527   16.211  932.594   16.376 -10.06726 23.04291 
1 1 1    3   19   16 o  309.735   6.6325  259.477   11.095  259.615   15.453  259.331   15.940  309.824   9.2304  309.645   9.5268 0.1794434 13.26504 
1 1 1    3   19   17 o  1007.80   12.421  2754.39   67.638  2736.37   95.063  2772.87   96.259  1004.47   17.514  1011.13   17.618 -6.655396 24.84183 
1 1 1    3   19   18 o  512.515   7.4280  710.651   20.570  704.393   28.877  717.097   29.309  510.226   10.474  514.803   10.536 -4.576233 14.85595 
1 1 1    3   19   19 o  256.445   7.0840  177.182   9.7956  163.924   13.378  192.507   14.383  246.144   10.058  266.746   9.9785 -20.60112 14.16795 
1 1 1    3   19   20 o  627.931   8.4622  1065.52   28.680  1029.63   39.421  1105.87   41.804  616.732   11.829  639.130   12.104 -22.39777 16.92437 
1 1 1    3   19   21 o  512.489   7.5178  709.366   20.791  685.263   28.511  736.738   30.383  503.221   10.485  521.756   10.777 -18.53497 15.03555 
1 1 1    3   19   22 o   54.022   24.609  -9.9977   15.833   0.0000   0.0000  -9.9977   15.833  ?   ?    54.022   24.609      ?      ? 
1 1 1    3   19   24 o  280.437   8.3394  210.776   12.196  221.464   20.307  204.746   15.253  285.854   13.147  275.021   10.264 10.83334 16.67874 
1 1 1    3   19   26 o  402.364   9.8652  438.423   21.449  438.423   21.449   0.0000   0.0000  402.364   9.8652  ?   ?       ?      ? 
1 1 1    3   19   27 o  121.874   17.231   40.443   11.348   40.443   11.348   0.0000   0.0000  121.874   17.231  ?   ?       ?      ? 
1 1 1    3   19   28 o  223.276   10.930  135.134   13.188  135.134   13.188   0.0000   0.0000  223.276   10.930  ?   ?       ?      ? 
1 1 1    3   19   29 o   98.575   13.540   27.516   7.0066   21.621   10.118   32.947   9.7118   87.157   21.595  109.993   16.340 -22.83658 27.07984 
1 1 1    3   19   30 o  375.859   6.4581  382.782   13.111  368.351   18.469  397.441   18.615  368.702   9.2701  383.017   8.9941 -14.31451 12.91623 
1 1 1    3   19   31 o  187.288   11.095  105.708   9.6727   74.505   17.538  119.350   11.596  164.826   19.691  209.750   10.231 -44.92467 22.18998 
1 1 1    3   19   32 o   86.639   18.756   17.916   9.5991   32.230   16.350   10.387   11.858  105.582   28.146   67.696   24.799 37.88551 37.51234 
1 1 1    3   19   33 o  140.148   14.001   56.482   9.8352   48.018   15.770   61.869   12.582  129.818   23.339  150.477   15.473 -20.65825 28.00246 
1 1 1    3   19   34 o  168.807   12.123   84.128   10.009   62.365   16.988   95.698   12.387  150.166   20.936  187.447   12.229 -37.28171 24.24570 
1 1 1    3   19   35 o  574.947   11.071  899.980   34.394   0.0000   0.0000  899.980   34.394  ?   ?   574.947   11.071      ?      ? 
1 1 1    3   19   36 o  416.028   9.1845  470.164   20.648   0.0000   0.0000  470.164   20.648  ?   ?   416.028   9.1845      ?      ? 
1 1 1    3   19   37 o  162.088   8.4315   73.276   7.1379   64.731   11.274   78.993   9.2215  153.789   13.566  170.386   10.016 -16.59695 16.86300 
1 1 1    3   19   38 f   80.799   14.800   19.227   6.4767   16.682   10.258   20.914   8.3517   76.399   22.979   85.199   18.657 -8.799744 29.59959 
1 1 1    3   19   39 o  131.486   9.8574   47.829   6.8189   46.284   10.867   48.832   8.7578  129.444   15.536  133.529   12.138 -4.085510 19.71488 
1 1 1    3   19   40 o   79.851   13.871   19.338   6.2632   10.767   9.9815   24.905   8.0440   64.842   22.878   94.861   15.693 -30.01983 27.74232 
1 1 1    3   19   41 f  342.308   8.4870  319.053   15.699   0.0000   0.0000  319.053   15.699  ?   ?   342.308   8.4870      ?      ? 
1 1 1    3   19   42 f  136.958   9.4109   52.110   6.7480   50.559   10.894   53.076   8.5957  134.903   14.944  139.012   11.443 -4.109146 18.82172 
1 1 1    3   19   43 o  180.157   7.6830   90.463   7.2895   82.375   11.370   96.107   9.4982  172.847   12.174  187.467   9.3763 -14.61971 15.36597 
1 1 1    3   19   44 o   72.512   14.201   16.299   6.0828   8.3147   9.8685   21.191   7.7248   59.742   22.484   85.282   17.353 -25.53971 28.40187 
1 1 1    3   19   45 o  116.606   16.434   38.423   10.355   38.423   10.355   0.0000   0.0000  116.606   16.434  ?   ?       ?      ? 
1 1 1    3   19   46 o   74.398   22.686   16.682   9.9484   16.682   9.9484   0.0000   0.0000   74.398   22.686  ?   ?       ?      ? 
1 1 1    3   19   47 o   68.970   14.799   14.007   5.8307   15.200   9.7222   13.337   7.2865   71.123   22.545   66.816   19.177 4.306961 29.59818 
1 1 1    3   19   48 o  168.884   7.7280   78.972   6.9026   79.794   10.960   78.432   8.8867  169.165   11.989  168.602   9.7541 0.5629730 15.45596 
1 1 1    3   19   49 o  119.642   9.6546   37.639   6.0153   55.435   10.050   27.704   7.5090  140.326   13.253   98.957   14.043 41.36899 19.30923 
1 1 1    3   19   50 o   70.635   10.961   14.811   6.0168 -11.9543   9.7382   31.338   7.6521   36.063   17.303  105.207   13.460 -69.14342 21.92221 
1 1 1    3   19   51 o  200.822   9.0430  108.813   8.4166  124.910   17.510  103.976   9.5982  207.817   15.592  193.827   9.1640 13.98964 18.08591 
1 1 1    3   19   52 o  231.528   7.5735  148.951   9.4231  142.376   12.577  157.365   14.227  226.023   10.298  237.032   11.108 -11.00871 15.14690 
1 1 1    3   19   53 o  105.537   24.522   37.050   13.718   37.050   13.718   0.0000   0.0000  105.537   24.522  ?   ?       ?      ? 
1 1 1    3   19   54 o  174.393   12.591   90.564   11.804   83.536   15.750   99.572   17.831  167.095   17.443  181.690   18.162 -14.59567 25.18170 
1 1 1    3   19   55 o  200.847   11.690  121.898   12.599  139.122   18.046  105.518   17.598  216.034   15.458  185.660   17.541 30.37411 23.38065 
1 1 1    3   19   56 o  114.781   15.130   43.979   7.8888   40.068   15.397   45.371   9.1862  104.783   27.018  124.780   13.624 -19.99630 30.25904 
1 1 1    3   19   57 o   66.460   16.067   14.818   7.1405   10.224   11.397   17.788   9.1617   60.016   23.730   72.905   21.668 -12.88879 32.13487 
1 1 1    3   19   58 o  173.236   8.6718   90.542   7.9094   80.406   12.126   98.048   10.435  162.566   13.804  183.907   10.500 -21.34100 17.34358 
1 1 1    3   19   59 o   69.527   16.047   17.315   6.8270   19.873   10.788   15.605   8.8172   72.728   23.811   66.326   21.518 6.402321 32.09333 
1 1 1    3   19   60 o  139.510   9.5710   59.093   7.1599   64.227   10.963   55.275   9.4546  144.062   14.083  134.959   12.965 9.103226 19.14195 
1 1 1    3   20    0 o  583.209   8.0121  919.639   25.250   0.0000   0.0000  919.639   25.250  ?   ?   583.209   8.0121      ?      ? 
1 1 1    3   20    1 o  314.557   7.8008  267.517   13.260   0.0000   0.0000  267.517   13.260  ?   ?   314.557   7.8008      ?      ? 
1 1 1    3   20    2 o  649.985   9.8759  1142.73   34.687   0.0000   0.0000  1142.73   34.687  ?   ?   649.985   9.8759      ?      ? 
1 1 1    3   20    3 o  379.669   6.5766  389.658   13.493   0.0000   0.0000  389.658   13.493  ?   ?   379.669   6.5766      ?      ? 
1 1 1    3   20    4 o  475.475   9.5577  611.468   24.557   0.0000   0.0000  611.468   24.557  ?   ?   475.475   9.5577      ?      ? 
1 1 1    3   20    5 o  358.471   6.5188  347.364   12.627   0.0000   0.0000  347.364   12.627  ?   ?   358.471   6.5188      ?      ? 
1 1 1    3   20    6 o  609.327   8.2251  1003.95   27.082   0.0000   0.0000  1003.95   27.082  ?   ?   609.327   8.2251      ?      ? 
1 1 1    3   20    7 o  1096.56   13.398  3255.87   79.390   0.0000   0.0000  3255.87   79.390  ?   ?   1096.56   13.398      ?      ? 
1 1 1    3   20    8 o  592.683   9.2831  950.078   29.731   0.0000   0.0000  950.078   29.731  ?   ?   592.683   9.2831      ?      ? 
1 1 1    3   20    9 o  873.806   12.687  2042.09   50.921  2126.13  105.638  2016.66   58.119  884.475   22.103  863.137   12.461 21.33783 25.37328 
1 1 1    3   20   10 o  597.058   9.2471  983.486   26.579  924.324   50.048  1006.73   31.369  584.028   15.859  610.088   9.5152 -26.06042 18.49424 
1 1 1    3   20   21 o  494.186   15.246  662.612   40.713   0.0000   0.0000  662.612   40.713  ?   ?   494.186   15.246      ?      ? 
1 1 1    3   20   22 o  249.729   10.946  168.887   14.771   0.0000   0.0000  168.887   14.771  ?   ?   249.729   10.946      ?      ? 
1 1 1    3   20   23 o  259.026   9.1470  194.005   11.943  139.437   18.935  230.053   15.390  226.566   15.466  291.487   9.7708 -64.92104 18.29392 
1 1 1    3   20   26 o  591.807   8.1305  949.697   25.999  936.370   36.544  963.357   36.996  587.601   11.509  596.013   11.487 -8.411682 16.26103 
1 1 1    3   20   28 o  231.105   11.010  150.826   13.216  120.676   20.398  172.635   17.349  210.152   17.963  252.059   12.738 -41.90665 22.02055 
1 1 1    3   20   29 o  697.293   13.017  1323.02   48.864  1237.39   65.727  1428.83   73.061  672.386   18.090  722.201   18.721 -49.81494 26.03343 
1 1 1    3   20   30 o  184.839   12.681   98.547   11.983   72.500   18.534  117.252   15.707  162.242   21.141  207.437   14.012 -45.19536 25.36287 
1 1 1    3   20   31 o  175.783   11.798   83.671   10.965   88.964   17.640   80.338   13.997  180.056   18.130  171.509   15.103 8.547211 23.59690 
1 1 1    3   20   32 o  103.509   12.353   29.465   6.7124   35.111   10.120   25.031   8.9691  113.161   16.550   93.858   18.342 19.30395 24.70511 
1 1 1    3   20   33 o  190.342   7.6053   97.820   7.7712  105.133   11.828   92.267   10.308  196.502   11.139  184.181   10.357 12.32039 15.21054 
1 1 1    3   20   34 o  106.756   11.998   32.057   6.6099   30.471   10.297   33.169   8.6203  103.451   19.125  110.061   14.494 -6.610283 23.99685 
1 1 1    3   20   35 o  219.587   6.9290  131.152   8.1564  131.058   12.332  131.224   10.875  219.426   10.400  219.747   9.1583 -0.3216858 13.85796 
1 1 1    3   20   36 o  319.456   6.3624  277.795   10.962  257.619   15.474  298.126   15.533  307.727   9.3055  331.185   8.6793 -23.45795 12.72487 
1 1 1    3   20   37 o  323.615   6.3550  285.253   11.103  278.254   15.920  291.880   15.492  319.687   9.2158  327.543   8.7528 -7.856537 12.70992 
1 1 1    3   20   38 o   59.967   14.943   8.5837   6.1096   12.461   9.0893   5.3883   8.2517   67.147   21.850   52.788   20.389 14.35946 29.88549 
1 1 1    3   20   39 o  265.397   6.4222  192.898   9.1593  179.778   13.373  204.490   12.571  256.711   9.6404  274.083   8.4877 -17.37192 12.84441 
1 1 1    3   20   40 o  114.971   10.511   37.004   6.3966   34.713   9.9206   38.634   8.3684  111.564   16.456  118.378   13.082 -6.813705 21.02253 
1 1 1    3   20   41 o  195.422   7.0266  105.173   7.3510   99.302   10.988  109.930   9.8899  190.254   10.688  200.589   9.1242 -10.33521 14.05328 
1 1 1    3   20   42 o  126.016   9.6040   44.788   6.3840   39.899   9.8251   48.360   8.3986  119.550   15.209  132.482   11.732 -12.93275 19.20801 
1 1 1    3   20   43 o   76.677   12.282   18.332   6.0173   0.7111   9.2564   31.228   7.9189   47.437   20.297  105.917   13.836 -58.47984 24.56447 
1 1 1    3   20   44 o  156.319   8.0902   68.239   6.7304   63.144   10.212   72.152   8.9492  150.747   12.536  161.891   10.230 -11.14375 16.18031 
1 1 1    3   20   45 o  115.477   10.298   38.672   6.1361   32.668   9.7764   42.574   7.8819  107.063   16.899  123.891   11.773 -16.82793 20.59556 
1 1 1    3   20   46 o   48.175   13.715   3.6485   5.6527  -1.4897   9.2145   6.7489   7.1577   44.181   19.549   52.170   19.244 -7.988968 27.43099 
1 1 1    3   20   47 o   63.398   14.219   9.0362   5.8968   20.969   9.7047   2.0517   7.4247   82.363   21.555   44.432   18.550 37.93123 28.43804 
1 1 1    3   20   48 o  152.749   8.3635   65.179   6.7900   65.562   10.603   64.913   8.8402  152.663   12.854  152.835   10.704 -0.1723175 16.72706 
1 1 1    3   20   49 o  208.794   6.9577  120.215   7.7201  124.613   12.153  117.239   9.9961  211.529   10.632  206.060   8.9774 5.468643 13.91549 
1 1 1    3   20   50 o  174.936   7.7217   84.726   7.2094   91.156   11.258   80.257   9.3865  180.140   11.565  169.733   10.234 10.40689 15.44331 
1 1 1    3   20   51 o   59.902   25.172   6.3153   13.807   0.0000   0.0000   6.3153   13.807  ?   ?    59.902   25.172      ?      ? 
1 1 1    3   20   52 o   74.183   27.957   18.079   15.268   0.0000   0.0000   18.079   15.268  ?   ?    74.183   27.957      ?      ? 
1 1 1    3   20   53 o   74.008   26.303   18.482   13.218   18.482   13.218   0.0000   0.0000   74.008   26.303  ?   ?       ?      ? 
1 1 1    3   20   54 o  229.344   8.7186  147.897   9.8423  161.464   18.394  142.455   11.650  233.634   14.570  225.053   9.5800 8.581375 17.43719 
1 1 1    3   20   55 o  132.527   13.421   51.009   9.6113   0.0000   0.0000   51.009   9.6113  ?   ?   132.527   13.421      ?      ? 
1 1 1    3   20   56 o   34.619   11.738 -10.6031   6.4741 -20.4813   10.683  -4.8696   8.1389   32.685   16.186   36.553   17.004 -3.868076 23.47631 
1 1 1    3   20   57 o  245.297   9.1891  171.889   12.180   0.0000   0.0000  171.889   12.180  ?   ?   245.297   9.1891      ?      ? 
1 1 1    3   20   58 o  270.601   9.0642  207.299   13.254   0.0000   0.0000  207.299   13.254  ?   ?   270.601   9.0642      ?      ? 
1 1 1    3   20   59 o  120.870   11.314   46.754   7.3217   48.727   11.183   45.273   9.6865  121.871   16.981  119.870   14.954 2.000992 22.62744 
1 1 1    3   21    0 f  288.411   10.752  225.051   16.757   0.0000   0.0000  225.051   16.757  ?   ?   288.411   10.752      ?      ? 
1 1 1    3   21    1 o  551.183   10.796  821.968   32.154   0.0000   0.0000  821.968   32.154  ?   ?   551.183   10.796      ?      ? 
1 1 1    3   21    2 o  437.577   7.1707  517.649   16.955   0.0000   0.0000  517.649   16.955  ?   ?   437.577   7.1707      ?      ? 
1 1 1    3   21    3 o  301.579   8.5975  245.951   14.011   0.0000   0.0000  245.951   14.011  ?   ?   301.579   8.5975      ?      ? 
1 1 1    3   21    4 o  689.807   10.471  1287.34   39.029   0.0000   0.0000  1287.34   39.029  ?   ?   689.807   10.471      ?      ? 
1 1 1    3   21    5 o  622.107   8.4842  1046.59   28.521   0.0000   0.0000  1046.59   28.521  ?   ?   622.107   8.4842      ?      ? 
1 1 1    3   21    6 o  401.058   10.626  435.207   23.029   0.0000   0.0000  435.207   23.029  ?   ?   401.058   10.626      ?      ? 
1 1 1    3   21    7 o  131.698   11.281   46.939   8.0283   0.0000   0.0000   46.939   8.0283  ?   ?   131.698   11.281      ?      ? 
1 1 1    3   21    8 o  112.533   23.249   35.719   13.669   0.0000   0.0000   35.719   13.669  ?   ?   112.533   23.249      ?      ? 
1 1 1    3   21    9 o  433.195   8.1437  510.286   18.025  500.676   30.883  515.251   22.197  429.957   13.292  436.433   9.4123 -6.475891 16.28739 
1 1 1    3   21   10 o  164.619   9.3922   74.307   7.5932   71.194   13.906   75.630   9.0637  162.046   15.881  167.193   10.032 -5.146729 18.78448 
1 1 1    3   21   11 o  540.558   7.7940  790.452   22.761  775.170   31.765  806.576   32.629  535.194   10.984  545.922   11.061 -10.72778 15.58803 
1 1 1    3   21   12 o  262.982   7.3378  186.930   10.422  179.398   14.476  195.032   15.015  257.488   10.404  268.475   10.350 -10.98727 14.67552 
1 1 1    3   21   13 o  395.047   7.0523  422.257   15.054  420.110   21.309  424.397   21.271  394.042   10.008  396.052   9.9389 -2.009277 14.10454 
1 1 1    3   21   14 o  835.823   15.002  1894.03   67.755   0.0000   0.0000  1894.03   67.755  ?   ?   835.823   15.002      ?      ? 
1 1 1    3   21   16 o  472.171   7.3295  603.379   18.698  589.456   26.231  617.761   26.661  466.632   10.403  477.711   10.328 -11.07886 14.65899 
1 1 1    3   21   17 o  423.383   7.0489  484.686   16.118  467.342   22.386  503.357   23.227  415.526   9.9700  431.240   9.9673 -15.71390 14.09783 
1 1 1    3   21   18 o  195.111   11.886  103.122   12.531   0.0000   0.0000  103.122   12.531  ?   ?   195.111   11.886      ?      ? 
1 1 1    3   21   19 o  370.642   6.8858  371.975   13.783  356.836   19.457  387.225   19.529  363.057   9.9176  378.228   9.5550 -15.17029 13.77157 
1 1 1    3   21   20 o  394.426   13.343  422.072   28.439   0.0000   0.0000  422.072   28.439  ?   ?   394.426   13.343      ?      ? 
1 1 1    3   21   21 o  323.996   13.308  284.910   23.299   0.0000   0.0000  284.910   23.299  ?   ?   323.996   13.308      ?      ? 
1 1 1    3   21   22 o  535.635   9.2290  790.257   25.824  730.631   41.401  828.232   33.040  518.509   14.776  552.762   11.061 -34.25275 18.45799 
1 1 1    3   21   24 o  455.399   9.0440  559.184   20.539  573.198   37.246  553.060   24.620  459.051   15.015  451.748   10.086 7.303070 18.08791 
1 1 1    3   21   25 o  395.708   10.131  426.064   21.540  368.243   29.971  487.838   30.979  367.787   15.081  423.629   13.533 -55.84183 20.26233 
1 1 1    3   21   26 o  145.421   16.435   58.756   12.166   60.608   20.067   57.680   15.297  145.769   26.450  145.072   19.514 0.6972961 32.86930 
1 1 1    3   21   27 o  390.280   10.018  417.057   21.019  379.054   30.262  452.477   29.215  372.815   15.022  407.744   13.260 -34.92892 20.03660 
1 1 1    3   21   28 f  211.302   9.0889  121.509   9.9505  121.458   12.422  121.599   16.622  211.462   10.871  211.141   14.569 0.3209534 18.17777 
1 1 1    3   21   29 o  137.275   9.7643   51.362   7.2396   53.647   10.366   49.187   10.115  140.265   13.677  134.285   13.939 5.979935 19.52868 
1 1 1    3   21   30 o  273.779   6.5848  203.699   9.7321  196.290   13.891  210.841   13.639  268.849   9.5618  278.709   9.0561 -9.860626 13.16964 
1 1 1    3   21   31 o  321.958   6.5267  281.512   11.347  267.015   15.911  296.515   16.186  313.494   9.3923  330.421   9.0652 -16.92661 13.05349 
1 1 1    3   21   32 o  133.688   13.317   48.838   9.6205   0.0000   0.0000   48.838   9.6205  ?   ?   133.688   13.317      ?      ? 
1 1 1    3   21   33 o  265.814   6.5512  192.162   9.3973  189.556   13.595  194.546   13.005  264.042   9.5280  267.586   8.9938 -3.543945 13.10239 
1 1 1    3   21   34 o  340.045   8.9232  314.397   16.396   0.0000   0.0000  314.397   16.396  ?   ?   340.045   8.9232      ?      ? 
1 1 1    3   21   35 o  105.551   12.435   32.022   6.7533   27.804   10.288   35.214   8.9519   98.027   20.097  113.075   14.651 -15.04740 24.87040 
1 1 1    3   21   36 o  262.460   6.5479  187.398   9.2279  189.912   13.891  185.412   12.346  263.919   9.7404  261.001   8.7535 2.917877 13.09577 
1 1 1    3   21   37 o   54.901   14.837   4.8455   6.2276   10.774   9.8042   0.8359   8.0632   64.580   22.684   45.221   19.131 19.35880 29.67424 
1 1 1    3   21   38 o  130.857   9.3939   46.334   6.5636   52.922   10.296   41.824   8.5191  138.452   13.762  123.261   12.790 15.19091 18.78772 
1 1 1    3   21   39 o  107.632   11.168   32.063   6.4145   34.002   9.9976   30.707   8.3628  110.149   16.797  105.115   14.723 5.034538 22.33611 
1 1 1    3   21   40 o   89.503   13.282   23.476   6.1912   21.462   9.8518   24.790   7.9593   84.827   21.473   94.180   15.640 -9.353027 26.56472 
1 1 1    3   21   41 o  258.035   8.6589  181.946   12.073   0.0000   0.0000  181.946   12.073  ?   ?   258.035   8.6589      ?      ? 
1 1 1    3   21   42 o  269.322   8.6088  198.497   12.529   0.0000   0.0000  198.497   12.529  ?   ?   269.322   8.6088      ?      ? 
1 1 1    3   21   43 o  161.859   8.2830   74.376   7.0550   60.878   10.561   85.253   9.4808  147.711   13.231  176.008   9.9684 -28.29666 16.56593 
1 1 1    3   21   44 o  286.171   6.4239  225.869   9.8919  212.198   14.367  238.190   13.639  277.641   9.5764  294.701   8.5650 -17.05972 12.84786 
1 1 1    3   21   45 o   75.013   14.880   17.251   6.2248   16.821   9.7161   17.551   8.1072   74.021   22.386   76.004   19.610 -1.983528 29.76013 
1 1 1    3   21   46 o   71.737   14.894   15.864   6.1252   14.565   9.6213   16.749   7.9427   69.358   22.475   74.115   19.550 -4.757141 29.78829 
1 1 1    3   21   47 o   88.991   13.454   24.150   6.1110   23.834   9.9941   24.338   7.7229   87.313   21.359   90.670   16.365 -3.356956 26.90717 
1 1 1    3   21   48 o   48.612   14.210   1.6555   6.1734   8.6807   9.8123  -2.9472   7.9423   58.318   22.308   38.906   17.607 19.41263 28.41919 
1 1 1    3   21   49 f   40.985   13.917 -15.6114   9.1723  -7.5901   11.638 -28.7613   14.901   43.314   20.211   38.656   19.138 4.657909 27.83464 
1 1 1    3   21   50 o   56.046   17.199   3.0985   9.5851   4.6734   12.381   0.7428   15.143   55.968   23.694   56.124   24.935 -0.1551285 34.39735 
1 1 1    3   21   51 o  120.531   16.628   48.668   10.423   57.725   14.072   37.658   15.514  137.786   18.900  103.277   27.363 34.50925 33.25544 
1 1 1    3   21   52 o  167.017   11.000   78.876   9.9271   0.0000   0.0000   78.876   9.9271  ?   ?   167.017   11.000      ?      ? 
1 1 1    3   21   53 o  294.460   9.0897  242.928   14.463   0.0000   0.0000  242.928   14.463  ?   ?   294.460   9.0897      ?      ? 
1 1 1    3   21   54 o   90.977   12.992   26.508   7.8115  -0.4446   11.014   53.784   11.080   47.092   21.071  134.862   15.204 -87.76926 25.98346 
1 1 1    3   21   55 o   58.813   15.715   10.608   6.7053   12.676   10.711   9.2754   8.5986   62.112   23.415   55.514   20.967 6.597515 31.43014 
1 1 1    3   21   56 o  131.124   10.416   51.828   7.2307   59.667   11.702   46.986   9.1965  137.821   15.713  124.428   13.678 13.39323 20.83210 
1 1 1    3   21   57 o  145.077   9.6966   63.232   7.5315   64.795   11.481   62.051   9.9785  145.662   14.586  144.492   12.780 1.169281 19.39314 
1 1 1    3   22    0 o  344.096   7.0314  320.119   13.074   0.0000   0.0000  320.119   13.074  ?   ?   344.096   7.0314      ?      ? 
1 1 1    3   22    1 o  571.508   8.1870  883.289   25.284   0.0000   0.0000  883.289   25.284  ?   ?   571.508   8.1870      ?      ? 
1 1 1    3   22    2 o  403.763   10.103  441.083   22.042   0.0000   0.0000  441.083   22.042  ?   ?   403.763   10.103      ?      ? 
1 1 1    3   22    3 o  435.957   10.570  514.300   24.899   0.0000   0.0000  514.300   24.899  ?   ?   435.957   10.570      ?      ? 
1 1 1    3   22    4 f  637.116   12.636  1099.16   43.501   0.0000   0.0000  1099.16   43.501  ?   ?   637.116   12.636      ?      ? 
1 1 1    3   22    5 f   41.265   18.800  -5.9584   9.2433   0.0000   0.0000  -5.9584   9.2433  ?   ?    41.265   18.800      ?      ? 
1 1 1    3   22    6 o  321.326   7.1107  279.171   12.347   0.0000   0.0000  279.171   12.347  ?   ?   321.326   7.1107      ?      ? 
1 1 1    3   22    7 o  329.216   11.336  293.404   20.167   0.0000   0.0000  293.404   20.167  ?   ?   329.216   11.336      ?      ? 
1 1 1    3   22    8 o  423.616   7.1851  485.246   16.447   0.0000   0.0000  485.246   16.447  ?   ?   423.616   7.1851      ?      ? 
1 1 1    3   22    9 o  527.841   10.389  754.151   29.632   0.0000   0.0000  754.151   29.632  ?   ?   527.841   10.389      ?      ? 
1 1 1    3   22   10 f  330.111   7.6255  300.302   13.034  275.676   21.303  315.035   16.478  318.995   12.359  341.227   8.9364 -22.23239 15.25095 
1 1 1    3   22   11 o  505.741   8.3542  700.115   20.208  677.027   38.734  708.749   23.687  499.649   14.346  511.833   8.5645 -12.18451 16.70842 
1 1 1    3   22   12 o  450.113   7.3053  547.409   17.751  519.985   24.506  577.681   25.748  438.274   10.348  461.952   10.315 -23.67816 14.61060 
1 1 1    3   22   13 o  284.951   7.1876  219.693   11.064  227.429   15.822  212.289   15.478  289.862   10.101  280.041   10.228 9.821228 14.37522 
1 1 1    3   22   15 o  296.147   7.0230  236.784   11.218  217.764   15.452  257.978   16.311  283.599   10.083  308.695   9.7785 -25.09622 14.04605 
1 1 1    3   22   18 o  354.987   9.6350  341.309   18.482   0.0000   0.0000  341.309   18.482  ?   ?   354.987   9.6350      ?      ? 
1 1 1    3   22   19 o  496.953   14.668  671.171   39.388   0.0000   0.0000  671.171   39.388  ?   ?   496.953   14.668      ?      ? 
1 1 1    3   22   20 o  241.253   11.886  158.133   15.240  160.698   23.893  156.374   19.789  242.730   18.216  239.777   15.273 2.952713 23.77146 
1 1 1    3   22   21 o  608.174   16.704  1007.88   54.896   0.0000   0.0000  1007.88   54.896  ?   ?   608.174   16.704      ?      ? 
1 1 1    3   22   22 f  254.427   11.728  179.180   15.690  163.829   24.630  189.662   20.353  244.813   18.618  264.041   14.265 -19.22816 23.45516 
1 1 1    3   22   23 o  263.708   11.080  190.756   15.692  171.374   22.605  208.784   21.800  250.538   16.697  276.878   14.571 -26.34027 22.16052 
1 1 1    3   22   24 f  354.872   8.3771  337.645   15.259  328.008   18.714  356.757   26.356  347.718   9.9600  362.025   13.472 -14.30701 16.75430 
1 1 1    3   22   25 o  741.524   13.614  1497.77   54.552   0.0000   0.0000  1497.77   54.552  ?   ?   741.524   13.614      ?      ? 
1 1 1    3   22   26 o  331.269   9.2767  297.712   16.606   0.0000   0.0000  297.712   16.606  ?   ?   331.269   9.2767      ?      ? 
1 1 1    3   22   27 o   74.441   23.134   15.372   10.288   0.0000   0.0000   15.372   10.288  ?   ?    74.441   23.134      ?      ? 
1 1 1    3   22   28 o  123.231   11.333   42.242   7.4088   33.489   10.567   50.704   10.390  110.289   17.731  136.174   14.120 -25.88465 22.66663 
1 1 1    3   22   29 o  247.837   7.1193  166.965   9.5260  168.651   13.791  165.426   13.174  249.004   10.250  246.669   9.8834 2.334900 14.23851 
1 1 1    3   22   30 o  389.896   6.7868  412.457   14.273  378.768   19.771  449.120   20.626  373.250   9.8027  406.543   9.3889 -33.29236 13.57365 
1 1 1    3   22   31 o  228.266   7.3420  141.754   8.9899  142.891   13.582  140.867   11.993  228.976   10.977  227.556   9.7535 1.420303 14.68403 
1 1 1    3   22   32 o  258.434   6.9072  182.361   9.5938  159.865   13.508  205.262   13.629  242.189   10.321  274.679   9.1820 -32.48981 13.81446 
1 1 1    3   22   33 o  305.367   8.9267  253.779   14.730   0.0000   0.0000  253.779   14.730  ?   ?   305.367   8.9267      ?      ? 
1 1 1    3   22   34 o  189.957   7.6809   99.207   7.8343   90.416   11.376  107.137   10.804  181.756   11.583  198.157   10.090 -16.40076 15.36176 
1 1 1    3   22   35 o  305.521   6.5064  254.767   10.725  244.507   15.379  264.482   14.965  299.435   9.5049  311.607   8.8875 -12.17200 13.01271 
1 1 1    3   22   36 o  168.550   8.2564   77.893   7.4685   78.531   11.255   77.391   9.9830  169.018   12.323  168.082   10.991 0.9361572 16.51288 
1 1 1    3   22   37 o  307.090   6.5104  258.538   10.764  241.028   15.522  274.760   14.940  296.861   9.6761  317.318   8.7129 -20.45737 13.02076 
1 1 1    3   22   38 o   91.724   13.267   23.407   6.5281   37.960   10.072   12.865   8.5726  116.465   16.004   66.984   21.164 49.48011 26.53361 
1 1 1    3   22   39 o  162.414   8.2956   72.678   7.2491   73.397   10.783   72.086   9.7920  163.000   12.243  161.828   11.198 1.171570 16.59124 
1 1 1    3   22   40 o  290.763   6.4973  232.150   10.164  206.525   14.311  258.232   14.438  274.327   9.6543  307.200   8.6978 -32.87308 12.99452 
1 1 1    3   22   41 o   64.877   15.127   12.090   6.2772   8.7506   9.3091   14.874   8.5005   59.196   21.924   70.559   20.848 -11.36247 30.25376 
1 1 1    3   22   42 o   93.183   13.520   26.006   6.5316   25.069   9.8878   26.732   8.6999   91.015   20.587   95.351   17.531 -4.335175 27.03967 
1 1 1    3   22   43 o  351.525   8.8505  339.625   16.812   0.0000   0.0000  339.625   16.812  ?   ?   351.525   8.8505      ?      ? 
1 1 1    3   22   44 f   74.430   15.111   17.097   6.3948   15.861   9.6666   18.059   8.5274   72.026   22.431   76.834   20.252 -4.808678 30.22101 
1 1 1    3   22   45 o  103.195   12.213   31.630   6.4603   29.668   10.162   32.961   8.3691   98.704   19.743  107.686   14.382 -8.982117 24.42615 
1 1 1    3   22   46 o  123.278   14.061   41.539   8.7320   30.035   10.648   65.158   15.257   98.435   20.677  148.121   19.062 -49.68669 28.12289 
1 1 1    3   22   47 o   56.215   16.678   1.1982   9.1665  -9.1532   12.424   13.565   13.580   43.838   20.593   68.592   26.242 -24.75355 33.35687 
1 1 1    3   22   48 o   86.585   18.640   25.753   9.7243   29.910   12.703   19.867   15.114   95.295   24.525   77.875   28.078 17.41940 37.28058 
1 1 1    3   22   49 o  103.760   17.953   36.641   9.9422   37.883   13.178   35.000   15.148  107.558   23.344   99.962   27.281 7.595741 35.90543 
1 1 1    3   22   50 o   78.851   16.654   20.545   7.3714   21.072   12.936   20.292   8.9703   78.315   26.095   79.388   20.698 -1.073692 33.30704 
1 1 1    3   22   51 o   82.880   14.106   23.746   6.8851   11.464   10.542   32.882   9.0921   61.107   23.182  104.653   16.078 -43.54523 28.21206 
1 1 1    3   22   52 o  111.785   12.535   38.504   7.2206   38.937   11.428   38.217   9.3155  110.103   19.943  113.467   15.193 -3.364273 25.07088 
1 1 1    3   22   53 o   72.274   18.138   17.033   7.8814   19.254   17.439   16.462   8.8351   74.014   29.326   70.533   21.350 3.480331 36.27508 
1 1 1    3   22   54 f   78.944   16.701   23.487   7.6915   21.267   10.634   25.923   11.138   74.958   23.557   82.931   23.681 -7.972443 33.40229 
1 1 1    3   22   55 o  115.077   13.545   43.614   8.0241   32.482   11.012   56.216   11.717   95.897   21.750  134.257   16.150 -38.36005 27.09070 
1 1 1    3   22   56 o   40.873   13.329  -1.9521   6.8418  -3.1545   10.179  -0.9610   9.2407   40.725   18.969   41.021   18.731 -0.2955971 26.65825 
1 1 1    3   23    0 o  470.296   9.9722  598.660   25.343   0.0000   0.0000  598.660   25.343  ?   ?   470.296   9.9722      ?      ? 
1 1 1    3   23    1 o  336.221   11.852  306.203   21.532   0.0000   0.0000  306.203   21.532  ?   ?   336.221   11.852      ?      ? 
1 1 1    3   23    2 o  158.406   10.366   67.927   8.8730   0.0000   0.0000   67.927   8.8730  ?   ?   158.406   10.366      ?      ? 
1 1 1    3   23    3 o  484.439   10.042  635.223   26.287   0.0000   0.0000  635.223   26.287  ?   ?   484.439   10.042      ?      ? 
1 1 1    3   23    4 o  335.193   9.0886  304.017   16.462   0.0000   0.0000  304.017   16.462  ?   ?   335.193   9.0886      ?      ? 
1 1 1    3   23    5 o  303.531   7.3134  249.166   11.995   0.0000   0.0000  249.166   11.995  ?   ?   303.531   7.3134      ?      ? 
1 1 1    3   23    6 o  669.222   10.517  1212.53   38.032   0.0000   0.0000  1212.53   38.032  ?   ?   669.222   10.517      ?      ? 
1 1 1    3   23    7 o   78.516   19.309   17.439   8.1352   0.0000   0.0000   17.439   8.1352  ?   ?    78.516   19.309      ?      ? 
1 1 1    3   23    8 o  452.175   7.2982  553.014   17.832   0.0000   0.0000  553.014   17.832  ?   ?   452.175   7.2982      ?      ? 
1 1 1    3   23    9 o  350.935   6.9339  333.088   13.149   0.0000   0.0000  333.088   13.149  ?   ?   350.935   6.9339      ?      ? 
1 1 1    3   23   10 o  550.971   8.9816  786.210   22.332  891.441   48.472  757.855   25.161  572.793   15.660  529.149   8.7995 43.64355 17.96328 
1 1 1    3   23   11 o  196.835   9.2718  108.994   8.4928   97.432   16.613  113.084   9.8816  189.287   16.242  204.383   8.9473 -15.09595 18.54370 
1 1 1    3   23   12 o  565.455   8.9930  871.234   24.208  859.459   46.970  875.492   28.249  562.284   15.459  568.626   9.1935 -6.341736 17.98603 
1 1 1    3   23   15 o  564.640   10.330  872.871   29.214  849.324   51.865  883.813   35.356  558.381   17.189  570.899   11.461 -12.51831 20.65962 
1 1 1    3   23   16 o  424.977   10.890  491.753   24.907  486.261   36.798  496.396   33.835  422.648   16.112  427.306   14.653 -4.657684 21.77914 
1 1 1    3   23   17 o   93.515   22.523   22.879   13.761   15.626   21.929   27.590   17.673   87.723   33.398   99.307   30.227 -11.58410 45.04548 
1 1 1    3   23   18 o  107.077   33.670   31.982   21.721   31.982   21.721   0.0000   0.0000  107.077   33.670  ?   ?       ?      ? 
1 1 1    3   23   19 o  288.926   17.019  227.928   26.571  227.928   26.571   0.0000   0.0000  288.926   17.019  ?   ?       ?      ? 
1 1 1    3   23   20 o  382.577   9.6683  398.735   19.963  407.207   27.744  389.640   28.747  386.876   13.271  378.278   14.064 8.598114 19.33661 
1 1 1    3   23   21 o  252.907   8.2524  170.235   10.986  189.234   18.047  159.052   13.846  263.758   12.663  242.056   10.586 21.70245 16.50471 
1 1 1    3   23   22 o  200.211   11.404  108.934   12.338  108.934   12.338   0.0000   0.0000  200.211   11.404  ?   ?       ?      ? 
1 1 1    3   23   24 o  188.682   8.2650   96.915   8.4236   98.435   11.815   95.344   12.013  190.210   11.495  187.155   11.879 3.054779 16.52997 
1 1 1    3   23   25 o  130.799   12.055   48.869   7.9320   33.266   11.236   64.373   11.200  108.075   19.975  153.523   13.500 -45.44811 24.10906 
1 1 1    3   23   26 o  276.394   6.9576  207.848   10.367  205.115   15.134  210.264   14.230  274.618   10.199  278.171   9.4669 -3.552734 13.91522 
1 1 1    3   23   27 o  211.352   7.7524  121.628   8.8528  119.355   12.504  123.912   12.536  209.359   11.053  213.345   10.874 -3.986130 15.50485 
1 1 1    3   23   28 o  161.738   8.8450   71.459   7.7273   70.558   11.038   72.326   10.821  160.709   12.710  162.766   12.304 -2.057404 17.68997 
1 1 1    3   23   29 o  236.376   9.8627  152.096   12.598   0.0000   0.0000  152.096   12.598  ?   ?   236.376   9.8627      ?      ? 
1 1 1    3   23   30 o  232.271   9.9172  147.008   12.447   0.0000   0.0000  147.008   12.447  ?   ?   232.271   9.9172      ?      ? 
1 1 1    3   23   31 o  236.238   9.9183  152.177   12.661   0.0000   0.0000  152.177   12.661  ?   ?   236.238   9.9183      ?      ? 
1 1 1    3   23   32 f  143.550   9.6152   57.230   7.3787   49.001   10.618   64.915   10.261  133.249   14.747  153.852   12.343 -20.60316 19.23039 
1 1 1    3   23   33 o   42.850   13.571  -4.0764   6.5956  -8.1278   9.5843  -0.4317   9.0905   39.570   18.423   46.130   19.931 -6.560017 27.14104 
1 1 1    3   23   34 o   92.635   14.234   24.876   6.8890   27.861   10.414   22.553   9.1864   97.537   20.414   87.733   19.842 9.803268 28.46797 
1 1 1    3   23   35 o   91.689   13.898   24.505   6.6743   28.153   9.8496   21.408   9.0755   98.197   19.250   85.180   20.050 13.01731 27.79547 
1 1 1    3   23   36 o  127.082   10.139   45.085   6.9239   42.554   10.151   47.287   9.4680  123.509   15.210  130.655   13.411 -7.146423 20.27809 
1 1 1    3   23   37 o  160.426   8.4514   70.954   7.3212   72.909   10.599   69.171   10.125  162.503   12.070  158.349   11.833 4.153946 16.90273 
1 1 1    3   23   38 o  104.615   12.887   31.566   7.0542   32.172   10.766   31.111   9.3379  104.289   19.829  104.942   16.467 -0.6523209 25.77494 
1 1 1    3   23   39 o  220.058   7.1241  133.424   8.4397  131.654   12.436  134.936   11.491  218.516   10.532  221.601   9.5962 -3.084900 14.24812 
1 1 1    3   23   40 o  234.621   7.0560  152.891   8.8660  134.906   12.846  169.251   12.252  220.970   10.759  248.272   9.1323 -27.30238 14.11192 
1 1 1    3   23   41 o  206.760   7.5845  120.057   8.3355  106.064   12.476  131.338   11.203  195.177   11.830  218.343   9.4950 -23.16606 15.16890 
1 1 1    3   23   42 o  159.324   8.9772   71.124   7.5921   70.797   11.871   71.350   9.8759  158.477   13.862  160.171   11.411 -1.694077 17.95434 
1 1 1    3   23   43 o   84.773   17.550   23.182   8.4132   24.047   10.485   21.619   14.097   87.616   22.138   81.929   27.239 5.686333 35.10046 
1 1 1    3   23   44 o   79.392   19.297   20.091   10.050   16.592   13.735   24.122   14.744   73.656   26.734   85.127   27.835 -11.47103 38.59438 
1 1 1    3   23   45 o  154.891   14.317   72.673   11.887   82.725   16.894   62.815   16.729  166.696   18.755  143.085   21.637 23.61078 28.63376 
1 1 1    3   23   46 o  334.283   10.131  319.063   18.259  300.676   24.816  340.766   26.961  324.034   14.173  344.532   14.482 -20.49805 20.26280 
1 1 1    3   23   47 o  139.183   15.327   60.075   11.508   59.820   15.828   60.360   16.761  139.413   21.010  138.953   22.322 0.4604340 30.65495 
1 1 1    3   23   48 o   66.229   16.204   13.016   6.9224   18.238   11.333   9.9084   8.7427   74.010   24.414   58.449   21.312 15.56013 32.40773 
1 1 1    3   23   49 o  119.522   10.959   41.799   6.9948   44.470   10.864   39.907   9.1416  122.109   16.465  116.936   14.467 5.173126 21.91793 
1 1 1    3   23   50 o  148.350   9.5664   64.850   7.5332   61.011   11.542   67.699   9.9431  143.288   14.907  153.412   11.994 -10.12427 19.13288 
1 1 1    3   23   51 o  106.655   14.225   40.237   7.5985   21.870   11.982   52.594   9.8275   78.756   25.035  134.554   13.516 -55.79802 28.45083 
1 1 1    3   23   52 o   87.742   14.391   26.709   7.2308   14.195   10.810   36.842   9.7275   65.180   23.708  110.304   16.320 -45.12418 28.78229 
1 1 1    3   23   53 o   43.102   14.212  -2.4872   7.9890 -19.9054   16.957   2.4821   9.0572   41.876   20.674   44.328   19.508 -2.451382 28.42491 
1 1 1    3   23   54 o   64.091   17.791   10.537   8.2115   27.995   16.147   4.4467   9.5367   79.863   28.987   48.319   20.637 31.54391 35.58255 
1 1 1    3   23   55 o  101.010   14.771   36.588   7.7789   32.939   10.519   40.991   11.555   95.145   21.021  106.875   20.757 -11.72949 29.54199 
1 1 1    3   24    0 o  204.677   8.8025  113.415   9.7357   0.0000   0.0000  113.415   9.7357  ?   ?   204.677   8.8025      ?      ? 
1 1 1    3   24    1 o   84.257   18.564   20.101   8.2241   0.0000   0.0000   20.101   8.2241  ?   ?    84.257   18.564      ?      ? 
1 1 1    3   24    2 o  225.290   8.7526  137.408   10.655   0.0000   0.0000  137.408   10.655  ?   ?   225.290   8.7526      ?      ? 
1 1 1    3   24    3 o  169.111   9.7414   77.460   8.9019   0.0000   0.0000   77.460   8.9019  ?   ?   169.111   9.7414      ?      ? 
1 1 1    3   24    4 o  221.725   14.154  133.530   16.958   0.0000   0.0000  133.530   16.958  ?   ?   221.725   14.154      ?      ? 
1 1 1    3   24    5 o  412.092   8.0343  459.612   17.891   0.0000   0.0000  459.612   17.891  ?   ?   412.092   8.0343      ?      ? 
1 1 1    3   24    6 o  108.337   26.855   33.580   15.643   0.0000   0.0000   33.580   15.643  ?   ?   108.337   26.855      ?      ? 
1 1 1    3   24    7 o  299.841   7.3542  243.264   11.916   0.0000   0.0000  243.264   11.916  ?   ?   299.841   7.3542      ?      ? 
1 1 1    3   24    8 o   40.662   18.067  -2.9112   7.9517   0.0000   0.0000  -2.9112   7.9517  ?   ?    40.662   18.067      ?      ? 
1 1 1    3   24   10 o   69.766   22.229   13.091   9.4420   0.0000   0.0000   13.091   9.4420  ?   ?    69.766   22.229      ?      ? 
1 1 1    3   24   11 o  197.033   10.897  105.265   11.602   0.0000   0.0000  105.265   11.602  ?   ?   197.033   10.897      ?      ? 
1 1 1    3   24   13 o  135.554   26.103   52.387   18.426   0.0000   0.0000   52.387   18.426  ?   ?   135.554   26.103      ?      ? 
1 1 1    3   24   14 o  358.134   11.288  351.283   21.699  333.784   32.110  365.991   29.438  349.672   16.994  366.597   14.861 -16.92523 22.57508 
1 1 1    3   24   15 o  260.305   16.186  184.910   22.767   0.0000   0.0000  184.910   22.767  ?   ?   260.305   16.186      ?      ? 
1 1 1    3   24   16 o  249.291   7.6379  168.615   10.285  165.614   14.308  171.824   14.795  247.006   10.720  251.576   10.883 -4.569763 15.27577 
1 1 1    3   24   17 o  355.060   8.3378  339.924   15.388  332.943   19.196  352.478   25.739  350.271   10.142  359.848   13.237 -9.576538 16.67556 
1 1 1    3   24   18 o  129.180   15.466   52.270   9.7194   72.922   12.962   25.743   14.690  163.499   14.671   94.862   27.231 68.63700 30.93155 
1 1 1    3   24   19 o  282.732   8.1138  213.872   12.014  231.081   19.905  204.011   15.068  291.348   12.643  274.116   10.172 17.23233 16.22754 
1 1 1    3   24   20 o   80.259   16.909   18.349   8.1166   12.176   12.308   23.099   10.797   70.914   25.363   89.603   22.368 -18.68977 33.81763 
1 1 1    3   24   21 o   78.623   16.199   17.508   7.5419   22.853   10.409   11.600   10.943   89.063   21.804   68.183   23.964 20.87987 32.39874 
1 1 1    3   24   22 o  197.891   8.4997  106.721   9.0875  109.511   12.964  104.026   12.742  200.441   11.970  195.342   12.071 5.098282 16.99942 
1 1 1    3   24   23 o  261.648   7.1635  186.140   10.122  177.196   14.194  195.393   14.437  255.227   10.292  268.068   9.9669 -12.84119 14.32706 
1 1 1    3   24   24 o  385.019   9.7412  402.974   20.267   0.0000   0.0000  402.974   20.267  ?   ?   385.019   9.7412      ?      ? 
1 1 1    3   24   25 o  243.849   7.3510  161.897   9.6820  160.254   13.857  163.463   13.533  242.610   10.570  245.088   10.219 -2.478058 14.70204 
1 1 1    3   24   26 o   64.324   16.175   10.255   7.0845   11.419   9.6556   8.8989   10.427   66.012   22.544   62.637   23.202 3.375076 32.35057 
1 1 1    3   24   27 o  131.316   14.720   47.450   10.445   0.0000   0.0000   47.450   10.445  ?   ?   131.316   14.720      ?      ? 
1 1 1    3   24   28 o  263.730   9.4528  189.472   13.471   0.0000   0.0000  189.472   13.471  ?   ?   263.730   9.4528      ?      ? 
1 1 1    3   24   29 o  132.673   10.902   48.983   7.6855   59.933   10.989   38.501   10.752  147.587   13.780  117.758   16.898 29.82948 21.80377 
1 1 1    3   24   30 o  106.599   13.207   32.606   7.3483   38.153   10.308   26.875   10.478  117.260   16.269   95.938   20.810 21.32227 26.41460 
1 1 1    3   24   31 o  225.945   7.4091  139.895   9.0094  125.008   12.696  154.997   12.787  213.674   10.995  238.217   9.9338 -24.54330 14.81826 
1 1 1    3   24   32 o  162.078   12.387   72.339   10.848   0.0000   0.0000   72.339   10.848  ?   ?   162.078   12.387      ?      ? 
1 1 1    3   24   33 o  153.651   9.6048   65.297   7.9400   66.304   11.827   64.470   10.714  154.565   14.160  152.736   12.981 1.828583 19.20952 
1 1 1    3   24   34 o   92.556   14.809   25.521   7.2285   24.267   10.527   26.640   9.9430   90.069   21.852   95.044   19.994 -4.974785 29.61882 
1 1 1    3   24   35 o   77.846   14.702   18.309   6.7411   9.4336   9.8984   25.987   9.2060   61.577   22.643   94.116   18.760 -32.53895 29.40457 
1 1 1    3   24   36 o   69.837   15.757   14.384   6.7781   11.535   10.294   16.564   9.0057   65.310   23.213   74.364   21.313 -9.053413 31.51331 
1 1 1    3   24   37 o  295.433   9.1344  239.467   14.582   0.0000   0.0000  239.467   14.582  ?   ?   295.433   9.1344      ?      ? 
1 1 1    3   24   38 o  177.118   8.3050   87.063   7.9310   86.939   11.599   87.172   10.869  176.841   12.138  177.396   11.338 -0.5543365 16.60994 
1 1 1    3   24   39 o  361.371   9.3513  359.561   18.261   0.0000   0.0000  359.561   18.261  ?   ?   361.371   9.3513      ?      ? 
1 1 1    3   24   40 o   65.641   17.427   10.950   8.2847   8.4457   10.771   14.577   12.963   60.005   23.262   71.276   25.957 -11.27151 34.85498 
1 1 1    3   24   41 o  220.223   10.041  137.867   11.860  141.284   15.974  133.671   17.704  223.973   13.199  216.473   15.135 7.499817 20.08174 
1 1 1    3   24   42 o   75.689   17.615   15.705   8.9989   5.5608   11.866   29.437   13.806   56.995   23.594   94.383   26.162 -37.38774 35.22937 
1 1 1    3   24   43 o   94.264   17.553   30.338   10.182   44.977   13.754   12.590   15.144  119.758   22.067   68.771   27.303 50.98737 35.10597 
1 1 1    3   24   44 o  129.284   17.348   56.449   11.568   75.833   15.898   34.640   16.863  159.617   18.433   98.952   29.395 60.66423 34.69575 
1 1 1    3   24   45 o  121.924   12.452   43.993   7.9522   43.748   12.837   44.147   10.130  120.289   19.748  123.559   15.172 -3.269836 24.90384 
1 1 1    3   24   46 o   89.272   15.934   25.631   7.5405   29.007   12.132   23.506   9.6257   93.061   23.976   85.482   20.992 7.579170 31.86726 
1 1 1    3   24   47 o  128.008   11.638   48.760   7.7866   47.839   12.581   49.332   9.9136  125.476   18.555  130.539   14.054 -5.062538 23.27668 
1 1 1    3   24   48 o   52.879   15.115   6.0796   7.1192  -1.6909   11.394   11.057   9.1183   46.231   20.989   59.528   21.756 -13.29787 30.22987 
1 1 1    3   24   49 o   49.975   21.849   2.2508   11.198   2.2508   11.198   0.0000   0.0000   49.975   21.849  ?   ?       ?      ? 
1 1 1    3   24   50 o   76.812   16.469   18.844   7.6927   29.560   12.014   11.398   10.015   92.623   23.858   61.001   22.711 31.62225 32.93883 
1 1 1    3   24   51 o   57.904   15.987   10.815   7.2051   14.246   10.970   8.2115   9.5548   62.664   23.679   53.145   21.485 9.518986 31.97319 
1 1 1    3   24   52 o   43.324   13.603  -1.1458   6.9322 -11.6055   10.685   6.4582   9.1100   36.385   17.623   50.263   20.728 -13.87803 27.20683 
1 1 1    3   24   53 o   49.756   14.587   4.7402   7.1054  -4.8443   10.605   12.547   9.5714   40.310   18.964   59.203   22.170 -18.89336 29.17452 
1 1 1    3   25    0 o  194.905   12.657  103.175   13.330   0.0000   0.0000  103.175   13.330  ?   ?   194.905   12.657      ?      ? 
1 1 1    3   25    1 o  295.237   10.411  236.343   16.610   0.0000   0.0000  236.343   16.610  ?   ?   295.237   10.411      ?      ? 
1 1 1    3   25    3 o  191.639   11.947   99.702   12.372   0.0000   0.0000   99.702   12.372  ?   ?   191.639   11.947      ?      ? 
1 1 1    3   25    4 o  146.758   14.248   58.597   11.299   0.0000   0.0000   58.597   11.299  ?   ?   146.758   14.248      ?      ? 
1 1 1    3   25    6 o  206.990   11.653  116.329   13.034   0.0000   0.0000  116.329   13.034  ?   ?   206.990   11.653      ?      ? 
1 1 1    3   25    8 o  106.333   20.078   32.001   11.114   0.0000   0.0000   32.001   11.114  ?   ?   106.333   20.078      ?      ? 
1 1 1    3   25    9 o  260.408   13.865  184.621   19.510   0.0000   0.0000  184.621   19.510  ?   ?   260.408   13.865      ?      ? 
1 1 1    3   25   10 o  361.706   11.634  355.455   22.739   0.0000   0.0000  355.455   22.739  ?   ?   361.706   11.634      ?      ? 
1 1 1    3   25   11 o  164.744   10.523   73.674   9.3679   0.0000   0.0000   73.674   9.3679  ?   ?   164.744   10.523      ?      ? 
1 1 1    3   25   12 f  392.500   7.9340  414.898   15.744  428.829   27.887  408.381   19.075  396.925   13.002  388.076   9.0962 8.848846 15.86801 
1 1 1    3   25   13 o  323.734   7.3285  288.517   11.507  275.450   21.487  293.771   13.625  318.166   12.498  329.303   7.6570 -11.13785 14.65710 
1 1 1    3   25   14 o  192.626   8.7399  100.140   9.0429   86.171   12.236  116.951   13.423  177.905   12.728  207.347   11.980 -29.44215 17.47974 
1 1 1    3   25   15 o  269.757   10.332  197.659   15.060   0.0000   0.0000  197.659   15.060  ?   ?   269.757   10.332      ?      ? 
1 1 1    3   25   16 o  395.414   13.529  426.577   28.906   0.0000   0.0000  426.577   28.906  ?   ?   395.414   13.529      ?      ? 
1 1 1    3   25   17 o  235.054   14.240  151.036   18.087   0.0000   0.0000  151.036   18.087  ?   ?   235.054   14.240      ?      ? 
1 1 1    3   25   18 o  245.227   8.3522  161.963   10.913  175.113   17.172  153.054   14.135  253.343   12.543  237.111   11.032 16.23256 16.70439 
1 1 1    3   25   19 o  261.087   8.4982  175.290   11.511  224.775   19.986  150.726   14.082  286.907   12.891  235.268   11.076 51.63925 16.99638 
1 1 1    3   25   20 o  510.973   10.825  710.744   29.889   0.0000   0.0000  710.744   29.889  ?   ?   510.973   10.825      ?      ? 
1 1 1    3   25   21 o  264.241   10.438  190.027   14.904   0.0000   0.0000  190.027   14.904  ?   ?   264.241   10.438      ?      ? 
1 1 1    3   25   22 o  363.212   9.7623  358.902   19.160   0.0000   0.0000  358.902   19.160  ?   ?   363.212   9.7623      ?      ? 
1 1 1    3   25   23 o   86.951   16.103   22.297   7.7582   17.400   11.445   26.460   10.553   78.353   24.408   95.549   21.010 -17.19578 32.20554 
1 1 1    3   25   24 o  128.410   11.150   45.381   7.6960   39.308   10.594   52.168   11.199  119.220   16.444  137.599   15.062 -18.37897 22.29947 
1 1 1    3   25   25 o   85.670   15.701   21.501   7.3337   20.409   10.393   22.584   10.350   83.521   22.515   87.819   21.889 -4.298363 31.40165 
1 1 1    3   25   26 o  166.417   9.2959   76.026   8.3556   77.789   12.043   74.389   11.602  168.256   13.246  164.578   13.046 3.677277 18.59184 
1 1 1    3   25   27 f  241.694   10.225  159.508   13.354   0.0000   0.0000  159.508   13.354  ?   ?   241.694   10.225      ?      ? 
1 1 1    3   25   28 o  208.334   7.9540  119.324   8.9186  111.783   12.919  126.190   12.327  201.868   11.843  214.799   10.621 -12.93120 15.90791 
1 1 1    3   25   29 o   69.126   16.611   13.076   7.4486   11.227   10.690   14.820   10.384   66.071   23.637   72.180   23.345 -6.108818 33.22152 
1 1 1    3   25   30 o  280.593   6.9441  215.641   10.515  203.171   14.880  228.080   14.861  272.377   10.110  288.810   9.5222 -16.43298 13.88820 
1 1 1    3   25   31 o   49.652   14.765  -0.4902   7.1606   7.1676   10.215  -7.8897   10.041   58.588   22.669   40.716   18.923 17.87188 29.52916 
1 1 1    3   25   32 o  133.390   11.051   49.874   7.7351   66.213   11.330   35.611   10.586  154.464   13.574  112.316   17.442 42.14758 22.10184 
1 1 1    3   25   33 o  153.358   9.6904   66.182   7.9254   55.706   11.416   75.927   11.011  141.076   14.976  165.639   12.302 -24.56316 19.38073 
1 1 1    3   25   34 o   84.965   14.848   21.914   7.0123   29.748   9.9287   14.116   9.9052  100.358   19.004   69.572   22.818 30.78652 29.69563 
1 1 1    3   25   35 o  135.859   20.465   53.784   15.024   0.0000   0.0000   53.784   15.024  ?   ?   135.859   20.465      ?      ? 
1 1 1    3   25   36 o  157.305   12.596   74.538   10.106   91.734   13.511   52.703   15.225  180.805   13.829  133.804   21.057 47.00061 25.19176 
1 1 1    3   25   37 o   58.428   17.078   5.2848   8.8827   8.5203   11.729   0.9331   13.602   61.412   24.140   55.445   24.165 5.967232 34.15696 
1 1 1    3   25   38 o  128.724   15.340   53.388   9.7396   66.779   12.841   35.248   14.945  153.091   15.522  104.356   26.465 48.73477 30.68095 
1 1 1    3   25   39 o   57.003   16.846   2.7312   8.5819  -2.4932   10.829   11.554   14.072   46.488   20.840   67.517   26.473 -21.02924 33.69120 
1 1 1    3   25   40 o  266.652   9.6068  201.964   13.805  211.734   19.191  191.486   19.874  273.905   12.966  259.398   14.179 14.50626 19.21352 
1 1 1    3   25   41 o   63.460   16.531   11.452   7.3444   10.171   12.235   12.173   9.1828   63.081   24.698   63.839   21.979 -0.7578926 33.06171 
1 1 1    3   25   42 o  130.654   10.768   49.974   7.4794   43.010   11.004   55.953   10.197  121.153   16.808  140.156   13.464 -19.00267 21.53601 
1 1 1    3   25   43 o  142.682   10.076   59.235   7.6312   51.149   11.318   65.976   10.334  132.679   15.786  152.684   12.525 -20.00476 20.15110 
1 1 1    3   25   44 o   72.213   16.121   16.958   6.9766   16.939   10.906   16.971   9.0769   71.937   23.960   72.490   21.573 -0.5533142 32.24099 
1 1 1    3   25   45 o  140.367   10.126   57.863   7.4930   52.821   11.599   61.474   9.8159  133.835   16.039  146.899   12.366 -13.06389 20.25249 
1 1 1    3   25   46 f   42.124   13.554  -2.6089   6.6674  -0.7225   10.309  -3.9653   8.7418   45.335   20.327   38.912   17.934 6.422535 27.10788 
1 1 1    3   25   47 o  108.489   12.983   37.943   7.1349   28.575   10.646   45.581   9.6132   92.473   21.682  124.505   14.289 -32.03201 25.96650 
1 1 1    3   25   48 f  195.357   7.9298  107.238   8.3263  122.202   12.527   95.394   11.144  207.471   11.174  183.242   11.255 24.22836 15.85955 
1 1 1    3   25   49 o  207.415   7.8579  124.261   8.7309  108.639   12.514  139.077   12.187  193.668   11.958  221.161   10.198 -27.49292 15.71573 
1 1 1    3   25   50 o   69.300   13.986   16.814   7.0265   0.6705   10.389   30.424   9.5391   44.517   20.143   94.083   19.408 -49.56597 27.97150 
1 1 1    3   25   51 o   60.465   15.416   11.681   7.2164   2.3429   10.506   20.021   9.9291   47.161   20.870   73.770   22.694 -26.60877 30.83167 
1 1 1    3   25   52 o   47.178   15.422  -2.4654   10.301 -30.0676   19.170   8.7387   12.214   40.681   20.385   53.676   23.146 -12.99473 30.84307 
1 1 1    3   26    0 o  377.540   10.397  387.000   21.210   0.0000   0.0000  387.000   21.210  ?   ?   377.540   10.397      ?      ? 
1 1 1    3   26    1 o  188.128   10.599   96.112   10.775   0.0000   0.0000   96.112   10.775  ?   ?   188.128   10.599      ?      ? 
1 1 1    3   26    2 o  254.877   8.5661  176.106   11.798   0.0000   0.0000  176.106   11.798  ?   ?   254.877   8.5661      ?      ? 
1 1 1    3   26    3 o  401.970   8.6848  438.079   18.864   0.0000   0.0000  438.079   18.864  ?   ?   401.970   8.6848      ?      ? 
1 1 1    3   26    4 o  179.581   9.3520   87.488   9.0751   0.0000   0.0000   87.488   9.0751  ?   ?   179.581   9.3520      ?      ? 
1 1 1    3   26    5 o   82.873   18.501   19.580   8.0752   0.0000   0.0000   19.580   8.0752  ?   ?    82.873   18.501      ?      ? 
1 1 1    3   26    6 o  311.714   7.1882  263.180   12.108   0.0000   0.0000  263.180   12.108  ?   ?   311.714   7.1882      ?      ? 
1 1 1    3   26    7 o  308.889   8.7670  258.770   14.633   0.0000   0.0000  258.770   14.633  ?   ?   308.889   8.7670      ?      ? 
1 1 1    3   26    8 o  152.669   10.288   63.314   8.4871   0.0000   0.0000   63.314   8.4871  ?   ?   152.669   10.288      ?      ? 
1 1 1    3   26    9 o  134.487   10.994   49.181   7.9893   0.0000   0.0000   49.181   7.9893  ?   ?   134.487   10.994      ?      ? 
1 1 1    3   26   10 o  239.015   7.9038  154.886   10.208   0.0000   0.0000  154.886   10.208  ?   ?   239.015   7.9038      ?      ? 
1 1 1    3   26   11 o  187.661   8.7870   95.581   8.9105   0.0000   0.0000   95.581   8.9105  ?   ?   187.661   8.7870      ?      ? 
1 1 1    3   26   12 o  187.031   8.2514   91.016   7.6445  106.081   14.424   85.132   9.0146  197.038   13.547  177.025   9.4237 20.01294 16.50273 
1 1 1    3   26   13 o  215.338   7.9873  126.130   8.5233  126.734   15.546  125.870   10.192  215.361   13.359  215.315   8.7595 0.4553223E-01 15.97460 
1 1 1    3   26   14 o  252.286   7.7921  170.163   9.9677  182.365   17.700  164.497   12.062  258.474   12.673  246.097   9.0705 12.37657 15.58422 
1 1 1    3   26   15 o   90.422   16.837   21.051   8.3255   13.408   10.315   35.338   14.103   70.564   23.292  110.280   24.319 -39.71576 33.67411 
1 1 1    3   26   16 o  278.084   8.5502  207.467   12.510  196.527   15.792  225.901   20.499  268.657   10.878  287.511   13.195 -18.85483 17.10043 
1 1 1    3   26   17 o  255.515   8.4458  181.574   11.412  156.486   17.239  201.144   15.226  239.191   13.337  271.839   10.365 -32.64781 16.89156 
1 1 1    3   26   18 o   64.043   15.381   3.5747   8.0564   22.568   11.887 -12.5640   10.957   88.061   24.222   40.025   18.964 48.03540 30.76285 
1 1 1    3   26   19 o   97.296   15.711   27.585   8.0988   24.082   11.373   31.190   11.535   90.768   23.123  103.825   21.276 -13.05627 31.42205 
1 1 1    3   26   20 o  149.194   10.209   61.223   8.2300   61.923   11.693   60.537   11.586  150.041   14.422  148.346   14.453 1.694489 20.41783 
1 1 1    3   26   22 o  240.585   7.6131  158.012   9.8927  154.862   13.734  161.408   14.261  238.118   10.674  243.053   10.858 -4.934601 15.22628 
1 1 1    3   26   23 f  271.412   7.2726  201.153   10.663  196.354   15.095  205.934   15.066  268.143   10.418  274.680   10.151 -6.537262 14.54512 
1 1 1    3   26   25 o  124.633   11.806   43.247   7.9462   42.526   11.007   44.031   11.483  123.598   16.481  125.668   16.910 -2.070747 23.61293 
1 1 1    3   26   26 o  190.026   8.6129   99.392   8.7602  117.928   12.652   82.324   12.141  207.292   11.295  172.760   13.006 34.53210 17.22589 
1 1 1    3   26   27 o  165.055   9.4341   75.325   8.4114   74.319   11.714   76.396   12.086  163.952   13.222  166.158   13.461 -2.205948 18.86825 
1 1 1    3   26   28 o  202.232   15.670  114.279   17.124   0.0000   0.0000  114.279   17.124  ?   ?   202.232   15.670      ?      ? 
1 1 1    3   26   29 o  238.027   14.172  157.568   18.229   0.0000   0.0000  157.568   18.229  ?   ?   238.027   14.172      ?      ? 
1 1 1    3   26   30 o   71.278   18.229   12.584   9.1175   7.5090   12.046   19.392   13.951   61.612   24.386   80.944   27.101 -19.33199 36.45755 
1 1 1    3   26   31 o  134.885   14.724   55.060   10.067   65.495   13.593   42.387   14.980  152.130   16.536  117.640   24.367 34.49004 29.44759 
1 1 1    3   26   32 o  163.338   11.351   74.620   9.9402   68.626   13.094   82.770   15.270  155.924   15.541  170.751   16.550 -14.82704 22.70292 
1 1 1    3   26   33 o  197.982   10.337  110.828   10.938  114.617   14.607  105.991   16.503  202.507   13.349  193.457   15.787 9.049515 20.67375 
1 1 1    3   26   34 o   63.375   16.955   6.0482   8.4315  -2.6239   10.738   19.993   13.616   46.512   20.808   80.239   26.775 -33.72685 33.90956 
1 1 1    3   26   35 o  171.078   11.494   85.074   10.333   91.059   13.490   76.577   16.074  179.762   13.887  162.393   18.318 17.36888 22.98705 
1 1 1    3   26   36 o   65.503   16.178   11.601   7.2699   17.482   10.681   6.5253   9.9228   75.137   23.609   55.868   22.126 19.26894 32.35642 
1 1 1    3   26   37 o   77.320   15.681   17.817   7.2273   27.142   10.848   10.375   9.6914   93.171   21.914   61.469   22.435 31.70153 31.36143 
1 1 1    3   26   38 o   58.416   14.497   5.5859   6.8466  -6.4655   9.4418   18.950   9.9427   39.447   18.339   77.384   22.457 -37.93739 28.99397 
1 1 1    3   26   39 o   46.701   13.494  -4.5408   6.6770   11.621   9.5785 -19.8179   9.3125   62.999   22.391   30.403   15.066 32.59663 26.98786 
1 1 1    3   26   40 o   95.480   14.568   28.537   7.2949   28.314   10.406   28.753   10.229   94.949   20.853   96.011   20.348 -1.062210 29.13593 
1 1 1    3   26   41 o  135.642   10.560   53.643   7.6285   44.904   10.972   61.820   10.614  123.954   16.380  147.330   13.332 -23.37589 21.12016 
1 1 1    3   26   42 o  112.821   13.099   40.054   7.4754   29.131   10.971   49.520   10.213   94.876   21.850  130.766   14.454 -35.88925 26.19831 
1 1 1    3   26   43 o   52.248   15.210   5.0632   7.0327   1.4665   10.718   7.7828   9.3197   49.141   21.433   55.355   21.588 -6.214409 30.42060 
1 1 1    3   26   44 o   63.669   16.149   13.079   7.2498   8.9733   11.032   16.199   9.6184   57.923   23.202   69.414   22.469 -11.49029 32.29877 
1 1 1    3   26   45 o   44.516   14.244  -1.6371   7.3232  -1.0289   10.803  -2.1542   9.9610   45.848   20.662   43.183   19.613 2.664337 28.48801 
1 1 1    3   26   46 o  101.601   14.071   33.043   7.5341   26.855   10.694   39.143   10.616   89.569   22.205  113.632   17.290 -24.06306 28.14247 
1 1 1    3   26   47 o   43.379   13.698  -3.7589   7.0721   6.0073   9.9819 -13.6022   10.021   52.180   21.623   34.578   16.821 17.60179 27.39569 
1 1 1    3   26   48 o   92.022   14.349   30.846   7.2929   19.300   10.512   41.559   10.126   70.035   23.525  114.009   16.436 -43.97411 28.69831 
1 1 1    3   26   49 o   79.104   19.705   22.781   8.9982   35.788   20.019   19.488   10.073   85.437   32.049   72.771   22.936 12.66616 39.41063 
1 1 1    3   26   50 o   86.934   19.378   22.923   10.545   70.158   20.797   6.5766   12.235  121.993   31.373   51.874   22.755 70.11904 38.75592 
1 1 1    3   27    0 o   92.773   17.360   24.429   8.3827   0.0000   0.0000   24.429   8.3827  ?   ?    92.773   17.360      ?      ? 
1 1 1    3   27    1 o   57.986   22.794   5.7382   10.458   0.0000   0.0000   5.7382   10.458  ?   ?    57.986   22.794      ?      ? 
1 1 1    3   27    3 o  190.185   12.809   98.754   13.164   0.0000   0.0000   98.754   13.164  ?   ?   190.185   12.809      ?      ? 
1 1 1    3   27    5 o   46.966   21.324  -6.4227   11.762   0.0000   0.0000  -6.4227   11.762  ?   ?    46.966   21.324      ?      ? 
1 1 1    3   27    6 o  290.096   10.804  229.074   16.936   0.0000   0.0000  229.074   16.936  ?   ?   290.096   10.804      ?      ? 
1 1 1    3   27    7 o  208.691   12.647  118.880   14.262   0.0000   0.0000  118.880   14.262  ?   ?   208.691   12.647      ?      ? 
1 1 1    3   27    8 o  175.583   14.143   84.376   13.419   0.0000   0.0000   84.376   13.419  ?   ?   175.583   14.143      ?      ? 
1 1 1    3   27   10 o  361.555   10.467  355.819   20.450   0.0000   0.0000  355.819   20.450  ?   ?   361.555   10.467      ?      ? 
1 1 1    3   27   11 o  177.731   14.100   86.549   13.542   0.0000   0.0000   86.549   13.542  ?   ?   177.731   14.100      ?      ? 
1 1 1    3   27   12 o  119.957   18.880   39.908   12.238   0.0000   0.0000   39.908   12.238  ?   ?   119.957   18.880      ?      ? 
1 1 1    3   27   13 o  221.267   9.7594  132.421   11.569  120.923   15.192  148.288   17.847  210.089   13.382  232.445   14.209 -22.35570 19.51883 
1 1 1    3   27   14 o  141.646   13.068   55.702   9.9729   55.225   13.569   56.261   14.707  141.130   17.793  142.161   19.146 -1.031235 26.13666 
1 1 1    3   27   15 o  294.811   9.2105  238.768   14.643  252.027   20.499  224.955   20.923  303.352   12.505  286.269   13.526 17.08298 18.42104 
1 1 1    3   27   16 o   97.825   17.300   27.192   9.0575   21.622   11.682   35.586   14.341   85.901   24.157  109.749   24.770 -23.84753 34.59919 
1 1 1    3   27   17 o   58.256   17.010   2.7223   8.3194  -0.0542   10.224   8.1644   14.314   49.413   21.242   67.100   26.575 -17.68708 34.02097 
1 1 1    3   27   18 o  106.844   16.236   34.615   9.2752   44.347   12.443   22.448   13.913  126.092   18.263   87.595   26.851 38.49709 32.47274 
1 1 1    3   27   19 o  209.966   9.8090  120.908   11.106  112.883   15.143  130.248   16.337  202.467   13.841  217.465   13.903 -14.99786 19.61799 
1 1 1    3   27   20 o  193.957   10.755  105.703   11.086  119.459   15.119   89.707   16.304  208.322   13.431  179.592   16.800 28.72990 21.50908 
1 1 1    3   27   21 o  134.445   14.043   53.155   9.5436   59.685   12.488   43.986   14.797  146.624   15.762  122.266   23.246 24.35730 28.08602 
1 1 1    3   27   22 o  168.583   11.216   78.241   10.113   73.333   13.231   85.135   15.683  162.540   15.065  174.627   16.620 -12.08707 22.43137 
1 1 1    3   27   23 o  157.405   11.790   68.455   9.9411   62.770   13.053   76.306   15.340  149.908   16.114  164.902   17.215 -14.99393 23.58003 
1 1 1    3   27   24 o  219.555   10.293  134.558   12.137  140.203   16.515  127.928   17.898  224.982   13.584  214.128   15.469 10.85324 20.58664 
1 1 1    3   27   25 o   88.347   18.464   20.763   9.7283   11.079   12.301   36.937   15.896   67.296   25.146  109.397   27.044 -42.10116 36.92882 
1 1 1    3   27   26 o  129.273   14.324   47.779   9.9241   46.959   13.181   48.851   15.080  128.446   18.990  130.100   21.450 -1.653961 28.64851 
1 1 1    3   27   27 o  163.125   11.985   75.079   10.495   74.324   14.038   76.036   15.802  162.593   15.978  163.656   17.869 -1.063583 23.97075 
1 1 1    3   27   28 o   71.728   18.164   14.264   9.0022   16.658   12.073   11.266   13.510   75.241   25.211   68.216   26.156 7.025024 36.32827 
1 1 1    3   27   29 o   63.866   16.775   10.225   7.7203   12.520   11.393   8.2755   10.498   67.718   24.383   60.013   23.046 7.705189 33.55046 
1 1 1    3   27   30 o   62.390   15.908   8.1841   7.7465  -2.4414   11.178   18.003   10.745   47.877   21.338   76.903   23.600 -29.02588 31.81634 
1 1 1    3   27   31 o  139.671   15.027   55.190   11.342   0.0000   0.0000   55.190   11.342  ?   ?   139.671   15.027      ?      ? 
1 1 1    3   27   32 o   55.261   15.111   4.1485   7.1851  -5.4971   10.213   13.602   10.111   42.533   19.522   67.989   23.070 -25.45533 30.22125 
1 1 1    3   27   33 o   58.148   15.950   7.6962   7.1979   5.9317   10.179   9.4609   10.180   55.464   22.262   60.832   22.847 -5.368031 31.89997 
1 1 1    3   27   34 o  230.418   10.386  147.203   12.932   0.0000   0.0000  147.203   12.932  ?   ?   230.418   10.386      ?      ? 
1 1 1    3   27   35 o   90.790   15.054   25.750   7.3148   30.906   10.447   20.792   10.245  100.528   19.936   81.053   22.562 19.47478 30.10795 
1 1 1    3   27   36 o  132.024   10.980   50.149   7.8258   52.851   11.348   47.698   10.807  135.419   15.508  128.628   15.548 6.791031 21.95958 
1 1 1    3   27   37 o   89.764   13.963   24.192   7.3735   8.4338   9.9676   43.237   10.958   57.929   22.399  121.598   16.677 -63.66912 27.92571 
1 1 1    3   27   38 o   95.220   14.509   28.472   7.2675   33.503   10.287   23.460   10.268  104.811   18.857   85.630   22.057 19.18114 29.01868 
1 1 1    3   27   39 o   68.236   16.003   14.517   7.0820   18.575   9.8077   10.096   10.237   75.903   22.384   60.569   22.877 15.33376 32.00628 
1 1 1    3   27   40 f   79.552   16.154   20.812   7.5101   15.184   10.514   26.674   10.731   68.711   23.525   90.393   22.144 -21.68140 32.30754 
1 1 1    3   27   41 o   51.615   15.031   0.8077   7.6071   12.896   10.959 -10.4324   10.568   64.778   23.824   38.452   18.334 26.32682 30.06185 
1 1 1    3   27   42 o   55.397   15.920   7.5580   7.4682   6.8883   10.738   8.1856   10.394   54.699   22.524   56.096   22.503 -1.397022 31.83928 
1 1 1    3   27   43 o   43.337   13.869  -4.8992   7.3166   4.6368   10.648 -13.4291   10.071   51.709   21.937   34.965   16.975 16.74399 27.73763 
1 1 1    3   27   44 o  111.881   13.429   38.963   7.8839   45.405   11.497   33.245   10.831  122.307   17.397  101.455   20.463 20.85100 26.85840 
1 1 1    3   27   45 o  134.195   11.084   54.676   7.8796   43.776   11.202   65.350   11.085  119.242   17.386  149.148   13.755 -29.90562 22.16874 
1 1 1    3   27   46 o   78.132   16.142   23.492   7.4302   18.384   10.555   28.509   10.461   68.416   23.564   87.847   22.066 -19.43077 32.28321 
1 1 1    3   27   47 o   62.556   18.884   12.955   11.297   7.8559   19.577   15.500   13.832   60.233   27.410   64.879   25.983 -4.645920 37.76807 
1 1 1    3   27   48 o   61.711   19.098   12.800   11.270   23.468   20.278   8.0315   13.557   68.895   29.767   54.527   23.935 14.36827 38.19604 
1 1 1    3   28    0 o  385.030   7.3345  402.267   15.260   0.0000   0.0000  402.267   15.260  ?   ?   385.030   7.3345      ?      ? 
1 1 1    3   28    1 o   95.695   15.794   25.238   8.1671   0.0000   0.0000   25.238   8.1671  ?   ?    95.695   15.794      ?      ? 
1 1 1    3   28    2 o  223.876   9.1818  136.342   11.108   0.0000   0.0000  136.342   11.108  ?   ?   223.876   9.1818      ?      ? 
1 1 1    3   28    3 o  343.726   12.293  323.167   22.833   0.0000   0.0000  323.167   22.833  ?   ?   343.726   12.293      ?      ? 
1 1 1    3   28    4 o  108.767   13.969   32.482   8.2099   0.0000   0.0000   32.482   8.2099  ?   ?   108.767   13.969      ?      ? 
1 1 1    3   28    5 o  156.402   10.453   66.704   8.8346   0.0000   0.0000   66.704   8.8346  ?   ?   156.402   10.453      ?      ? 
1 1 1    3   28    6 o  204.826   9.0147  114.149   9.9776   0.0000   0.0000  114.149   9.9776  ?   ?   204.826   9.0147      ?      ? 
1 1 1    3   28    7 o   92.034   16.515   24.098   7.9116   0.0000   0.0000   24.098   7.9116  ?   ?    92.034   16.515      ?      ? 
1 1 1    3   28    8 o  232.183   7.9461  146.485   9.9695   0.0000   0.0000  146.485   9.9695  ?   ?   232.183   7.9461      ?      ? 
1 1 1    3   28    9 o  257.418   7.6760  180.008   10.677   0.0000   0.0000  180.008   10.677  ?   ?   257.418   7.6760      ?      ? 
1 1 1    3   28   10 o  162.489   9.6209   71.957   8.4475   0.0000   0.0000   71.957   8.4475  ?   ?   162.489   9.6209      ?      ? 
1 1 1    3   28   11 o  154.848   10.101   65.416   8.4516   0.0000   0.0000   65.416   8.4516  ?   ?   154.848   10.101      ?      ? 
1 1 1    3   28   12 o   88.338   16.841   22.333   7.7457   0.0000   0.0000   22.333   7.7457  ?   ?    88.338   16.841      ?      ? 
1 1 1    3   28   13 o  280.736   7.4406  214.113   11.287   0.0000   0.0000  214.113   11.287  ?   ?   280.736   7.4406      ?      ? 
1 1 1    3   28   14 o   64.241   17.722   7.7907   8.9983   11.318   12.613   4.1351   12.841   68.860   25.516   59.623   24.601 9.237446 35.44433 
1 1 1    3   28   15 o   65.660   15.830   11.628   6.6413   9.7027   11.067   12.712   8.3024   64.338   23.889   66.981   20.776 -2.643929 31.65989 
1 1 1    3   28   16 o   54.376   14.123  -1.6065   6.1054   17.311   10.990 -10.0512   7.3427   77.315   23.891   31.437   15.068 45.87739 28.24567 
1 1 1    3   28   17 o   68.757   16.447   11.950   7.7311   19.416   10.989   4.6318   10.879   81.111   23.629   56.404   22.883 24.70615 32.89311 
1 1 1    3   28   18 o  142.911   15.465   56.854   11.943   0.0000   0.0000   56.854   11.943  ?   ?   142.911   15.465      ?      ? 
1 1 1    3   28   19 o  105.491   13.613   31.537   7.4756   22.380   9.9778   43.255   11.287   86.770   21.411  124.211   16.816 -37.44080 27.22557 
1 1 1    3   28   20 o   51.622   15.487   0.5394   7.6657   5.4224   11.062  -3.9714   10.632   57.519   23.165   45.725   20.562 11.79376 30.97476 
1 1 1    3   28   21 o  172.890   13.050   82.714   12.192   0.0000   0.0000   82.714   12.192  ?   ?   172.890   13.050      ?      ? 
1 1 1    3   28   22 o  234.327   7.8313  150.807   9.8894  136.073   13.715  166.766   14.273  222.291   11.418  246.362   10.722 -24.07124 15.66265 
1 1 1    3   28   23 o   58.567   16.194   6.9258   7.4867   8.9472   10.132   4.4943   11.112   61.038   22.819   56.097   22.985 4.941311 32.38829 
1 1 1    3   28   24 o  202.555   8.5041  113.650   9.2920  121.488   13.167  105.875   13.115  209.678   11.621  195.433   12.419 14.24489 17.00811 
1 1 1    3   28   25 o  130.129   11.514   47.931   8.0948   49.296   11.549   46.613   11.349  131.982   16.194  128.276   16.373 3.705948 23.02841 
1 1 1    3   28   26 o  117.282   13.086   40.506   7.9591   33.960   11.534   46.457   10.997  106.418   20.804  128.147   15.881 -21.72895 26.17225 
1 1 1    3   28   28 o  193.309   12.289  104.188   12.837   0.0000   0.0000  104.188   12.837  ?   ?   193.309   12.289      ?      ? 
1 1 1    3   28   29 o  105.311   14.025   33.198   7.6450   31.746   10.201   35.060   11.548  103.050   19.019  107.572   20.616 -4.522156 28.04910 
1 1 1    3   28   30 o   55.572   15.579   4.9795   7.2278  -0.5201   9.8343   11.440   10.659   46.591   20.420   64.553   23.533 -17.96211 31.15704 
1 1 1    3   28   32 o  191.062   11.717  102.119   12.098   0.0000   0.0000  102.119   12.098  ?   ?   191.062   11.717      ?      ? 
1 1 1    3   28   33 o  106.955   13.730   34.459   7.7677   36.652   11.112   32.364   10.862  111.414   18.457  102.495   20.331 8.919510 27.45913 
1 1 1    3   28   34 o  129.250   11.509   48.579   8.0304   47.993   11.090   49.225   11.644  128.610   15.957  129.889   16.590 -1.279099 23.01857 
1 1 1    3   28   35 o  151.760   14.592   66.190   11.967   66.190   11.967   0.0000   0.0000  151.760   14.592  ?   ?       ?      ? 
1 1 1    3   28   36 o  108.071   13.635   35.499   7.7714   38.764   11.043   32.296   10.939  114.426   17.859  101.715   20.608 12.71100 27.26995 
1 1 1    3   28   37 o  170.747   9.2611   83.450   8.5225   78.030   12.170   88.665   11.938  164.890   13.659  176.604   12.510 -11.71390 18.52210 
1 1 1    3   28   38 o   88.116   16.232   25.928   7.9150   30.493   11.005   21.036   11.392   97.230   21.516   79.001   24.309 18.22887 32.46321 
1 1 1    3   28   39 o  136.161   11.619   55.636   8.4195   46.037   12.003   64.933   11.813  123.213   18.028  149.110   14.661 -25.89625 23.23707 
1 1 1    3   28   40 o   41.147   13.610  -6.2646   7.5726  -8.9087   10.988  -3.8730   10.450   39.764   18.884   42.530   19.604 -2.765652 27.21987 
1 1 1    3   28   41 o   46.914   14.613   0.8083   7.1950  -0.9409   9.7975   2.8560   10.601   44.160   19.807   49.668   21.490 -5.507866 29.22630 
1 1 1    3   28   42 o   63.442   16.463   12.704   7.3931   12.919   10.203   12.467   10.728   63.712   23.054   63.173   23.508 0.5382195 32.92590 
1 1 1    3   28   43 o   47.059   14.593   1.7521   7.0988   0.2410   9.6783   3.5118   10.444   44.625   19.874   49.492   21.373 -4.866982 29.18538 
1 1 1    3   28   44 o   52.986   16.589   3.1576   10.677 -18.3919   17.774   15.324   13.356   43.452   21.397   62.520   25.357 -19.06844 33.17855 
1 1 1    3   28   45 o   92.831   21.072   36.777   11.529   42.748   20.372   33.964   13.983   93.285   32.702   92.377   26.582 0.9088593 42.14312 
1 1 1    3   28   46 o   93.336   21.585   41.722   12.235   47.613   20.747   38.581   15.149   93.064   32.967   93.608   27.873 -0.5435715 43.17089 
1 1 1    3   29    0 o   54.794   19.937   7.1097   7.6455   0.0000   0.0000   7.1097   7.6455  ?   ?    54.794   19.937      ?      ? 
1 1 1    3   29    1 o  143.218   10.960   56.094   8.4818   0.0000   0.0000   56.094   8.4818  ?   ?   143.218   10.960      ?      ? 
1 1 1    3   29    2 o  173.819   9.8296   82.433   9.2325   0.0000   0.0000   82.433   9.2325  ?   ?   173.819   9.8296      ?      ? 
1 1 1    3   29    3 o  152.518   10.774   63.596   8.8791   0.0000   0.0000   63.596   8.8791  ?   ?   152.518   10.774      ?      ? 
1 1 1    3   29    4 o   77.616   18.764   17.511   7.7831   0.0000   0.0000   17.511   7.7831  ?   ?    77.616   18.764      ?      ? 
1 1 1    3   29    5 o  200.312   8.5507  109.237   9.2554   0.0000   0.0000  109.237   9.2554  ?   ?   200.312   8.5507      ?      ? 
1 1 1    3   29    6 o  150.126   10.316   61.579   8.3685   0.0000   0.0000   61.579   8.3685  ?   ?   150.126   10.316      ?      ? 
1 1 1    3   29    7 o  241.523   7.6986  158.616   10.048   0.0000   0.0000  158.616   10.048  ?   ?   241.523   7.6986      ?      ? 
1 1 1    3   29    8 o  175.761   9.0996   84.231   8.6424   0.0000   0.0000   84.231   8.6424  ?   ?   175.761   9.0996      ?      ? 
1 1 1    3   29    9 o  107.159   13.033   31.627   7.5469   0.0000   0.0000   31.627   7.5469  ?   ?   107.159   13.033      ?      ? 
1 1 1    3   29   10 f  183.866   8.9261   92.205   8.8685   0.0000   0.0000   92.205   8.8685  ?   ?   183.866   8.9261      ?      ? 
1 1 1    3   29   11 o  290.500   8.8700  230.238   13.924   0.0000   0.0000  230.238   13.924  ?   ?   290.500   8.8700      ?      ? 
1 1 1    3   29   12 o   31.934   15.341 -10.7780   7.7056   0.0000   0.0000 -10.7780   7.7056  ?   ?    31.934   15.341      ?      ? 
1 1 1    3   29   13 o   72.113   25.266   14.167   12.160   0.0000   0.0000   14.167   12.160  ?   ?    72.113   25.266      ?      ? 
1 1 1    3   29   14 o  179.262   9.9751   88.001   9.6626   0.0000   0.0000   88.001   9.6626  ?   ?   179.262   9.9751      ?      ? 
1 1 1    3   29   15 o  230.452   7.5267  143.360   8.6730  152.117   15.761  139.556   10.387  234.767   12.424  226.136   8.5003 8.631241 15.05348 
1 1 1    3   29   16 o  136.606   10.336   50.795   7.0952   55.180   12.826   48.861   8.5171  140.062   16.946  133.150   11.838 6.911606 20.67128 
1 1 1    3   29   17 o   48.154   14.198   2.4144   5.9477  -0.3173   10.391   3.7454   7.2534   48.894   21.216   47.415   18.873 1.478760 28.39613 
1 1 1    3   29   18 o   94.654   15.615   27.028   7.9359   20.420   11.156   33.799   11.292   82.261   23.763  107.046   20.263 -24.78516 31.22953 
1 1 1    3   29   19 f  110.799   13.264   35.848   7.6754   40.044   10.614   31.247   11.113  119.145   16.485  102.453   20.784 16.69227 26.52790 
1 1 1    3   29   20 f   56.760   15.878   5.8211   7.2720   2.8604   9.8817   9.3185   10.740   51.387   21.423   62.133   23.441 -10.74553 31.75519 
1 1 1    3   29   21 f   73.688   16.553   15.542   7.4230   11.682   9.7335   20.907   11.476   64.883   22.612   82.493   24.181 -17.60988 33.10611 
1 1 1    3   29   22 o   72.815   16.518   14.909   7.7159   8.1347   10.550   22.699   11.314   59.843   23.071   85.788   23.645 -25.94461 33.03582 
1 1 1    3   29   23 o  287.516   10.273  227.915   15.961   0.0000   0.0000  227.915   15.961  ?   ?   287.516   10.273      ?      ? 
1 1 1    3   29   25 o  160.855   9.9079   72.753   8.5302   60.233   11.744   86.735   12.410  145.798   14.907  175.912   13.056 -30.11406 19.81580 
1 1 1    3   29   26 o   77.972   15.757   18.670   7.6845   28.261   10.565   7.8951   11.198   96.149   20.929   59.794   23.561 36.35528 31.51366 
1 1 1    3   29   27 o   43.216   13.719  -5.3831   7.1886   2.6942   9.4620 -16.4099   11.055   49.681   20.855   36.751   17.829 12.93080 27.43772 
1 1 1    3   29   28 o  107.890   13.472   34.619   7.6713   34.227   10.478   35.073   11.262  108.373   17.892  107.406   20.145 0.9666519 26.94338 
1 1 1    3   29   29 o  109.605   13.597   36.360   7.7768   39.934   10.622   32.231   11.416  117.362   16.750  101.849   21.423 15.51278 27.19361 
1 1 1    3   29   30 o  159.308   13.753   72.122   11.839   0.0000   0.0000   72.122   11.839  ?   ?   159.308   13.753      ?      ? 
1 1 1    3   29   31 o   59.506   15.827   8.7550   7.2369   14.180   10.125   3.0890   10.347   67.864   23.086   51.148   21.658 16.71589 31.65493 
1 1 1    3   29   32 o   51.948   15.657   2.8488   7.7348   1.1885   10.605   4.7358   11.306   49.280   21.409   54.615   22.854 -5.334366 31.31492 
1 1 1    3   29   33 o  162.201   9.7598   74.992   8.5080   65.181   11.776   85.705   12.306  150.693   14.462  173.708   13.110 -23.01465 19.51955 
1 1 1    3   29   34 o  328.336   9.9777  300.642   17.703   0.0000   0.0000  300.642   17.703  ?   ?   328.336   9.9777      ?      ? 
1 1 1    3   29   35 o   56.231   15.482   5.4266   7.5257  -4.2865   10.552   15.481   10.736   43.233   19.843   69.230   23.770 -25.99705 30.96361 
1 1 1    3   29   36 o  189.925   8.7900  102.856   9.0199  103.212   12.869  102.513   12.646  190.173   12.523  189.676   12.338 0.4973297 17.58002 
1 1 1    3   29   37 o   44.459   14.334  -3.6561   7.6862   1.6914   11.287  -8.2806   10.496   49.557   21.794   39.362   18.624 10.19512 28.66757 
1 1 1    3   29   38 o  132.398   11.640   53.062   8.3219   50.577   11.654   55.648   11.887  129.011   16.718  135.784   16.201 -6.772415 23.27971 
1 1 1    3   29   39 o   86.077   16.202   25.412   8.0459   34.371   11.401   16.522   11.357  102.387   21.300   69.767   24.419 32.61942 32.40325 
1 1 1    3   29   40 o   71.993   15.873   15.446   8.0125   2.3743   11.020   30.107   11.671   49.910   21.752   94.076   23.122 -44.16510 31.74554 
1 1 1    3   29   41 o   93.555   21.199   38.926   12.296   35.495   19.320   41.261   15.942   86.540   31.662  100.570   28.197 -14.02908 42.39765 
1 1 1    3   29   42 o   59.493   18.162   8.9244   11.993 -10.2230   18.427   22.995   15.797   47.726   23.122   71.259   28.014 -23.53336 36.32355 
1 1 1    3   29   43 f   64.424   19.557   14.279   12.057   17.541   18.807   12.002   15.711   67.341   28.876   61.506   26.383 5.834660 39.11392 
1 1 1    3   29   44 o   55.416   15.680   8.5718   8.6766   18.800   10.613 -12.0450   15.067   68.441   23.625   42.392   20.623 26.04957 31.36030 
1 1 1    3   30    0 o   98.426   15.268   27.005   8.1207   0.0000   0.0000   27.005   8.1207  ?   ?    98.426   15.268      ?      ? 
1 1 1    3   30    1 o  244.821   7.8429  163.299   10.376   0.0000   0.0000  163.299   10.376  ?   ?   244.821   7.8429      ?      ? 
1 1 1    3   30    2 o   64.207   20.389   11.709   7.9486   0.0000   0.0000   11.709   7.9486  ?   ?    64.207   20.389      ?      ? 
1 1 1    3   30    3 o  223.625   10.451  137.140   12.629   0.0000   0.0000  137.140   12.629  ?   ?   223.625   10.451      ?      ? 
1 1 1    3   30    4 o  149.060   10.581   60.959   8.5224   0.0000   0.0000   60.959   8.5224  ?   ?   149.060   10.581      ?      ? 
1 1 1    3   30    5 o  179.356   9.1770   87.932   8.8941   0.0000   0.0000   87.932   8.8941  ?   ?   179.356   9.1770      ?      ? 
1 1 1    3   30    6 f   90.600   16.819   23.709   7.9308   0.0000   0.0000   23.709   7.9308  ?   ?    90.600   16.819      ?      ? 
1 1 1    3   30    7 o  155.181   10.151   66.014   8.5117   0.0000   0.0000   66.014   8.5117  ?   ?   155.181   10.151      ?      ? 
1 1 1    3   30    8 o  300.868   7.9085  246.772   12.857   0.0000   0.0000  246.772   12.857  ?   ?   300.868   7.9085      ?      ? 
1 1 1    3   30    9 o  140.549   11.149   54.339   8.4672   0.0000   0.0000   54.339   8.4672  ?   ?   140.549   11.149      ?      ? 
1 1 1    3   30   10 o  212.116   9.1665  123.081   10.507   0.0000   0.0000  123.081   10.507  ?   ?   212.116   9.1665      ?      ? 
1 1 1    3   30   11 o   68.131   19.980   13.607   7.8336   0.0000   0.0000   13.607   7.8336  ?   ?    68.131   19.980      ?      ? 
1 1 1    3   30   12 o  124.654   18.062   44.139   12.166   0.0000   0.0000   44.139   12.166  ?   ?   124.654   18.062      ?      ? 
1 1 1    3   30   13 o  119.101   13.078   39.402   8.4169   0.0000   0.0000   39.402   8.4169  ?   ?   119.101   13.078      ?      ? 
1 1 1    3   30   14 o   97.766   14.824   26.801   7.8315   0.0000   0.0000   26.801   7.8315  ?   ?    97.766   14.824      ?      ? 
1 1 1    3   30   15 o   49.646   14.372   1.8287   6.1586   8.0586   9.9194  -2.0791   7.8562   58.956   22.458   40.335   17.939 18.62096 28.74316 
1 1 1    3   30   16 o  145.733   9.9616   59.622   7.0094   59.122   13.246   59.817   8.2608  144.129   17.008  147.337   10.376 -3.207367 19.92311 
1 1 1    3   30   17 o   89.715   14.110   24.038   6.4125   24.279   10.921   23.912   7.9221   88.971   22.654   90.458   16.826 -1.486443 28.21970 
1 1 1    3   30   18 o   48.186   13.849   2.8530   5.9710  -5.1757   10.127   7.1311   7.3926   42.864   19.587   53.508   19.584 -10.64427 27.69782 
1 1 1    3   30   19 o  127.595   11.811   46.830   8.0685   51.417   11.118   41.725   11.728  134.812   15.261  120.378   18.030 14.43432 23.62182 
1 1 1    3   30   20 f   73.255   16.818   16.129   7.7380   12.392   10.946   19.861   10.940   66.580   23.908   79.931   23.660 -13.35083 33.63576 
1 1 1    3   30   22 o  216.611   11.809  130.730   13.822   0.0000   0.0000  130.730   13.822  ?   ?   216.611   11.809      ?      ? 
1 1 1    3   30   24 o   64.750   16.638   11.789   7.5409   13.345   9.8029   9.5331   11.802   66.990   22.716   62.510   24.317 4.479782 33.27671 
1 1 1    3   30   25 o  119.431   13.310   42.668   8.3043   48.684   11.711   36.584   11.777  129.666   16.714  109.195   20.718 20.47079 26.61905 
1 1 1    3   30   26 o  158.845   10.566   72.312   8.8983   90.666   12.919   55.744   12.274  178.953   13.360  138.737   16.372 40.21547 21.13146 
1 1 1    3   30   27 o   84.219   16.190   22.646   7.6333   18.587   10.579   27.055   11.025   76.242   23.420   92.195   22.360 -15.95304 32.38022 
1 1 1    3   30   28 o   89.240   15.971   25.536   7.6841   24.791   10.402   26.432   11.401   88.161   21.926   90.318   23.228 -2.157501 31.94222 
1 1 1    3   30   29 o  197.283   8.6100  108.930   9.1415   98.372   12.316  121.885   13.642  186.701   12.207  207.865   12.145 -21.16359 17.22004 
1 1 1    3   30   30 o  133.266   11.459   51.537   8.2325   47.272   11.247   56.460   12.083  127.262   16.354  139.268   16.056 -12.00610 22.91878 
1 1 1    3   30   31 f  162.284   10.177   74.233   8.8189   62.018   11.549   91.318   13.658  146.495   14.589  178.074   14.194 -31.57841 20.35472 
1 1 1    3   30   32 o   58.466   16.549   7.9384   7.8979   5.1804   10.438   11.632   12.080   53.184   22.081   63.748   24.656 -10.56369 33.09821 
1 1 1    3   30   33 o   61.550   16.507   10.464   7.9317   15.542   10.598   3.9977   11.960   69.203   23.619   53.897   23.066 15.30671 33.01375 
1 1 1    3   30   34 o   47.790   14.757   0.8103   7.4433   5.5574   10.029  -5.0100   11.105   52.359   21.684   43.221   20.023 9.137585 29.51440 
1 1 1    3   30   35 o   69.082   16.320   15.179   7.8514   5.8139   10.872   25.384   11.350   53.240   22.353   84.924   23.786 -31.68471 32.64058 
1 1 1    3   30   36 o   49.612   15.140   2.2305   7.5407  -2.1080   10.560   6.7451   10.772   44.540   20.215   54.684   22.544 -10.14386 30.28024 
1 1 1    3   30   37 o  132.588   16.775   45.030   10.140   92.500   22.936   33.496   11.305  164.042   25.874  101.134   21.357 62.90813 33.54969 
1 1 1    3   30   38 o   44.137   15.175 -18.9807   11.790 -40.9910   20.397  -7.9369   14.448   41.892   20.997   46.381   21.916 -4.489677 30.35098 
1 1 1    3   30   39 o   50.793   16.667  -3.2109   12.010 -25.7883   19.275   11.119   15.356   42.830   21.300   58.756   25.640 -15.92601 33.33326 
1 1 1    3   30   40 f   69.959   20.401   19.105   12.213   29.617   19.787   12.635   15.522   78.173   31.155   61.744   26.348 16.42831 40.80221 
1 1 1    3   30   41 o   39.385   13.320  -9.5526   8.0573 -15.2928   11.147  -3.2731   11.659   35.182   17.249   43.587   20.302 -8.404503 26.63985 
1 1 1    3   30   42 o  135.542   11.830   59.857   8.6235   66.639   12.361   53.427   12.036  144.191   15.865  126.894   17.554 17.29713 23.66059 
1 1 1    3   31    0 o   34.368   16.113  -6.9916   7.5456   0.0000   0.0000  -6.9916   7.5456  ?   ?    34.368   16.113      ?      ? 
1 1 1    3   31    1 o  136.089   11.139   51.118   8.1914   0.0000   0.0000   51.118   8.1914  ?   ?   136.089   11.139      ?      ? 
1 1 1    3   31    2 o  135.566   11.478   50.798   8.4083   0.0000   0.0000   50.798   8.4083  ?   ?   135.566   11.478      ?      ? 
1 1 1    3   31    3 o   59.828   19.938   10.029   7.5517   0.0000   0.0000   10.029   7.5517  ?   ?    59.828   19.938      ?      ? 
1 1 1    3   31    4 o   67.536   19.836   13.496   7.7154   0.0000   0.0000   13.496   7.7154  ?   ?    67.536   19.836      ?      ? 
1 1 1    3   31    5 o  102.615   14.162   29.478   7.8530   0.0000   0.0000   29.478   7.8530  ?   ?   102.615   14.162      ?      ? 
1 1 1    3   31    6 o   75.325   19.321   16.967   7.9023   0.0000   0.0000   16.967   7.9023  ?   ?    75.325   19.321      ?      ? 
1 1 1    3   31    7 o  137.746   11.538   52.521   8.5881   0.0000   0.0000   52.521   8.5881  ?   ?   137.746   11.538      ?      ? 
1 1 1    3   31    8 o  155.636   10.024   66.665   8.4299   0.0000   0.0000   66.665   8.4299  ?   ?   155.636   10.024      ?      ? 
1 1 1    3   31    9 o   83.427   17.473   20.521   7.6248   0.0000   0.0000   20.521   7.6248  ?   ?    83.427   17.473      ?      ? 
1 1 1    3   31   10 o   60.795   19.937   10.543   7.5614   0.0000   0.0000   10.543   7.5614  ?   ?    60.795   19.937      ?      ? 
1 1 1    3   31   12 o  118.599   13.353   39.350   8.5578   0.0000   0.0000   39.350   8.5578  ?   ?   118.599   13.353      ?      ? 
1 1 1    3   31   13 o   84.811   17.357   21.281   7.6867   0.0000   0.0000   21.281   7.6867  ?   ?    84.811   17.357      ?      ? 
1 1 1    3   31   14 o  131.964   11.261   48.333   8.0304   0.0000   0.0000   48.333   8.0304  ?   ?   131.964   11.261      ?      ? 
1 1 1    3   31   15 o   87.317   17.322   22.597   7.8846   0.0000   0.0000   22.597   7.8846  ?   ?    87.317   17.322      ?      ? 
1 1 1    3   31   16 o  116.624   11.098   38.045   6.7021   41.329   11.389   36.305   8.2896  119.613   17.620  113.636   13.500 5.977013 22.19697 
1 1 1    3   31   17 o   39.418   12.666  -5.0910   6.1944 -15.3829   10.346   0.6603   7.7339   35.656   17.287   43.179   18.516 -7.523563 25.33142 
1 1 1    3   31   18 o   74.628   15.318   17.184   6.2815   16.061   11.369   17.677   7.5363   72.722   24.465   76.535   18.441 -3.812325 30.63605 
1 1 1    3   31   19 o  118.327   10.962   38.153   6.5903   45.676   11.874   34.805   7.9224  125.463   17.515  111.192   13.186 14.27177 21.92312 
1 1 1    3   31   20 o   75.297   16.835   17.526   7.5816   16.000   9.8860   19.706   11.814   71.900   22.728   78.694   24.842 -6.793991 33.67049 
1 1 1    3   31   21 o  174.262   9.4842   85.676   8.8883   83.510   11.942   88.366   13.309  172.128   12.839  176.395   13.963 -4.266556 18.96831 
1 1 1    3   31   22 o   77.734   16.240   19.441   7.7880   26.398   10.493   10.907   11.621   91.679   21.545   63.789   24.306 27.89079 32.48036 
1 1 1    3   31   23 o  111.574   20.722   38.517   12.034   0.0000   0.0000   38.517   12.034  ?   ?   111.574   20.722      ?      ? 
1 1 1    3   31   24 o   42.554   13.772  -6.0436   7.4393   0.5530   9.9051 -14.5798   11.268   47.246   20.606   37.861   18.279 9.384132 27.54490 
1 1 1    3   31   25 o   93.671   14.796   26.677   7.6913   15.498   10.292   40.816   11.575   70.149   23.272  117.193   18.278 -47.04393 29.59163 
1 1 1    3   31   26 o  114.221   13.937   42.486   7.9197   61.155   10.962   22.105   11.454  146.319   13.865   82.124   24.182 64.19521 27.87471 
1 1 1    3   31   27 o   65.600   16.687   12.575   7.8520   17.697   10.841   6.9240   11.388   73.911   23.848   57.289   23.347 16.62217 33.37358 
1 1 1    3   31   28 o  114.321   13.041   39.312   8.0270   38.251   10.851   40.593   11.929  113.053   17.763  115.589   19.098 -2.536522 26.08174 
1 1 1    3   31   29 o  167.441   9.6889   80.581   8.7414   78.579   11.866   82.956   12.926  165.494   13.269  169.387   14.122 -3.893295 19.37785 
1 1 1    3   31   30 o  124.581   12.176   46.171   8.1614   40.868   11.103   52.405   12.038  116.555   17.628  132.607   16.800 -16.05157 24.35120 
1 1 1    3   31   31 o   96.109   15.438   30.334   7.8772   23.635   10.591   38.628   11.785   83.161   22.860  109.057   20.756 -25.89645 30.87667 
1 1 1    3   31   32 o   48.206   14.903   1.0964   7.6617   6.3858   10.240  -5.6305   11.548   53.208   21.963   43.205   20.151 10.00290 29.80663 
1 1 1    3   31   33 o   96.716   16.382   31.899   8.4427   32.474   11.581   31.246   12.334   98.465   22.286   94.967   24.019 3.497803 32.76489 
1 1 1    3   31   34 o  324.114   11.887  244.759   18.298  533.784   37.604  155.090   20.946  421.749   16.500  226.479   17.115 195.2701 23.77370 
1 1 1    3   31   35 o   45.080   15.568 -23.3853   12.942 -46.3513   21.080  -9.4932   16.395   41.582   20.910   48.578   23.069 -6.996040 31.13561 
1 1 1    3   31   36 o   52.063   17.540  -7.4843   12.659   13.083   21.390 -18.5698   15.704   62.976   28.655   41.150   20.234 21.82619 35.07920 
1 1 1    3   31   37 o   37.944   13.185 -17.1059   9.3341 -11.3645   11.652 -27.3874   15.593   38.139   18.456   37.748   18.835 0.3912201 26.36955 
1 1 1    3   31   38 f  114.361   13.305   42.790   7.9984   38.024   11.150   47.843   11.480  105.918   20.219  122.804   17.301 -16.88681 26.61006 
1 1 1    3   31   39 o   59.435   16.194   12.730   7.4629   8.6096   10.198   17.481   10.951   52.856   21.876   66.014   23.885 -13.15846 32.38869 
1 1 1    3   32    0 o  172.183   12.638   82.883   11.759   0.0000   0.0000   82.883   11.759  ?   ?   172.183   12.638      ?      ? 
1 1 1    3   32    1 o  218.079   8.1548  130.355   9.6097   0.0000   0.0000  130.355   9.6097  ?   ?   218.079   8.1548      ?      ? 
1 1 1    3   32    2 o  108.334   13.431   32.959   7.8624   0.0000   0.0000   32.959   7.8624  ?   ?   108.334   13.431      ?      ? 
1 1 1    3   32    3 o  289.563   8.8406  230.422   13.833   0.0000   0.0000  230.422   13.833  ?   ?   289.563   8.8406      ?      ? 
1 1 1    3   32    4 o  259.859   9.9314  186.411   13.946   0.0000   0.0000  186.411   13.946  ?   ?   259.859   9.9314      ?      ? 
1 1 1    3   32    5 o   52.416   19.497   6.7253   7.3781   0.0000   0.0000   6.7253   7.3781  ?   ?    52.416   19.497      ?      ? 
1 1 1    3   32    6 o   73.516   19.071   16.349   7.6406   0.0000   0.0000   16.349   7.6406  ?   ?    73.516   19.071      ?      ? 
1 1 1    3   32    7 o  164.186   9.7815   74.387   8.6782   0.0000   0.0000   74.387   8.6782  ?   ?   164.186   9.7815      ?      ? 
1 1 1    3   32    8 o  116.136   12.243   37.663   7.6833   0.0000   0.0000   37.663   7.6833  ?   ?   116.136   12.243      ?      ? 
1 1 1    3   32    9 o   65.081   20.123   12.651   7.7953   0.0000   0.0000   12.651   7.7953  ?   ?    65.081   20.123      ?      ? 
1 1 1    3   32   10 o  101.945   22.400   32.229   12.003   0.0000   0.0000   32.229   12.003  ?   ?   101.945   22.400      ?      ? 
1 1 1    3   32   11 o  118.126   14.139   39.456   9.0253   0.0000   0.0000   39.456   9.0253  ?   ?   118.126   14.139      ?      ? 
1 1 1    3   32   12 o  196.868   8.9233  106.713   9.4927   0.0000   0.0000  106.713   9.4927  ?   ?   196.868   8.9233      ?      ? 
1 1 1    3   32   13 o  110.068   13.720   34.255   8.1605   0.0000   0.0000   34.255   8.1605  ?   ?   110.068   13.720      ?      ? 
1 1 1    3   32   14 o   47.166   18.735   4.2578   7.1338   0.0000   0.0000   4.2578   7.1338  ?   ?    47.166   18.735      ?      ? 
1 1 1    3   32   15 o   96.406   15.086   26.606   7.8588   0.0000   0.0000   26.606   7.8588  ?   ?    96.406   15.086      ?      ? 
1 1 1    3   32   16 o   64.138   19.869   12.477   7.5957   0.0000   0.0000   12.477   7.5957  ?   ?    64.138   19.869      ?      ? 
1 1 1    3   32   17 o   85.843   13.570   18.591   6.5722   40.405   11.368   7.6409   8.0546  117.180   17.954   54.505   20.352 62.67570 27.13938 
1 1 1    3   32   18 o   52.589   15.002   3.5622   6.3096   11.209   11.155  -0.0356   7.6512   63.575   23.909   41.602   18.128 21.97225 30.00435 
1 1 1    3   32   19 o  104.812   13.399   36.519   6.4645   25.811   11.822   41.087   7.7212   88.774   24.048  120.849   11.824 -32.07437 26.79772 
1 1 1    3   32   20 o   97.047   13.311   26.116   6.2845   37.095   11.731   21.696   7.4427  109.196   20.636   84.897   16.818 24.29889 26.62168 
1 1 1    3   32   21 o  119.804   13.901   46.623   8.1531   65.072   11.192   25.766   11.900  151.029   13.714   88.579   24.184 62.45045 27.80156 
1 1 1    3   32   22 o   66.064   16.773   13.125   7.6448   14.471   10.223   11.418   11.514   68.221   23.198   63.907   24.232 4.313728 33.54597 
1 1 1    3   32   23 o   39.137   13.108  -9.2337   7.3072  -8.7833   9.6406  -9.8418   11.202   37.721   17.848   40.554   19.203 -2.832924 26.21639 
1 1 1    3   32   24 o   72.048   17.276   17.019   8.0528   18.700   11.211   15.228   11.574   75.019   24.256   69.077   24.607 5.941742 34.55212 
1 1 1    3   32   25 o   58.430   16.394   8.3636   7.7482   5.8455   10.626   11.223   11.323   54.291   22.387   62.568   23.956 -8.277077 32.78856 
1 1 1    3   32   26 o   97.545   15.451   31.219   7.9294   33.725   10.713   28.183   11.793  103.451   19.886   91.639   23.654 11.81253 30.90217 
1 1 1    3   32   27 o   63.306   16.535   11.660   7.6409   6.6416   10.228   17.999   11.494   54.144   22.103   72.469   24.598 -18.32491 33.06968 
1 1 1    3   32   28 o   57.770   16.218   7.8636   7.9510   0.8182   10.973   15.652   11.537   47.846   21.243   67.695   24.512 -19.84914 32.43661 
1 1 1    3   32   29 o   68.437   15.746   13.294   8.2362   28.345   11.497  -2.5715   11.804   90.612   23.339   46.263   21.142 44.34897 31.49118 
1 1 1    3   32   30 o   67.924   20.438   12.785   13.296   7.2860   20.534   16.754   17.448   64.680   28.867   71.169   28.939 -6.489532 40.87513 
1 1 1    3   32   31 o   96.235   22.643   37.360   13.817   45.473   20.693   30.833   18.559  104.740   32.852   87.731   31.170 17.00914 45.28587 
1 1 1    3   32   32 o   69.590   19.914   15.478   12.807  -0.4464   19.569   27.410   16.939   57.246   26.541   81.933   29.697 -24.68772 39.82832 
1 1 1    3   32   33 o   52.818   17.412   0.1675   12.525 -10.3604   19.112   8.0923   16.581   48.546   23.526   57.090   25.675 -8.543766 34.82354 
1 1 1    3   32   34 o   66.311   24.603   17.054   11.734   0.0000   0.0000   17.054   11.734  ?   ?    66.311   24.603      ?      ? 
1 1 1    3   32   35 o   41.605   13.769  -5.0219   7.7860  -2.0048   10.792  -8.2968   11.244   43.564   20.022   39.647   18.905 3.917332 27.53705 
1 1 1    3   32   36 o   46.739   14.850   2.2518   7.8341   1.1107   11.137   3.3695   11.022   45.740   20.760   47.738   21.239 -1.998634 29.69961 
1 1 1    3   33    0 o   60.883   20.372   10.870   7.8830   0.0000   0.0000   10.870   7.8830  ?   ?    60.883   20.372      ?      ? 
1 1 1    3   33    1 o  138.503   11.091   53.483   8.3011   0.0000   0.0000   53.483   8.3011  ?   ?   138.503   11.091      ?      ? 
1 1 1    3   33    2 o   78.929   18.472   18.955   7.7389   0.0000   0.0000   18.955   7.7389  ?   ?    78.929   18.472      ?      ? 
1 1 1    3   33    3 o  175.611   9.4826   85.281   8.9984   0.0000   0.0000   85.281   8.9984  ?   ?   175.611   9.4826      ?      ? 
1 1 1    3   33    4 o   94.714   15.072   25.686   7.7140   0.0000   0.0000   25.686   7.7140  ?   ?    94.714   15.072      ?      ? 
1 1 1    3   33    5 o  120.487   12.135   40.754   7.9006   0.0000   0.0000   40.754   7.9006  ?   ?   120.487   12.135      ?      ? 
1 1 1    3   33    6 o  176.531   11.855   87.364   11.309   0.0000   0.0000   87.364   11.309  ?   ?   176.531   11.855      ?      ? 
1 1 1    3   33    7 f   36.231   16.538  -3.5895   7.1958   0.0000   0.0000  -3.5895   7.1958  ?   ?    36.231   16.538      ?      ? 
1 1 1    3   33    8 o   85.053   18.088   21.944   8.0574   0.0000   0.0000   21.944   8.0574  ?   ?    85.053   18.088      ?      ? 
1 1 1    3   33    9 f   60.271   23.701   8.7859   11.311   0.0000   0.0000   8.7859   11.311  ?   ?    60.271   23.701      ?      ? 
1 1 1    3   33   10 o   35.982   17.319 -12.6383   9.9327   0.0000   0.0000 -12.6383   9.9327  ?   ?    35.982   17.319      ?      ? 
1 1 1    3   33   11 o  115.537   13.013   37.839   8.1243   0.0000   0.0000   37.839   8.1243  ?   ?   115.537   13.013      ?      ? 
1 1 1    3   33   12 o   58.655   19.903   10.113   7.5253   0.0000   0.0000   10.113   7.5253  ?   ?    58.655   19.903      ?      ? 
1 1 1    3   33   13 o   99.224   15.485   28.506   8.3026   0.0000   0.0000   28.506   8.3026  ?   ?    99.224   15.485      ?      ? 
1 1 1    3   33   14 o  347.359   9.2193  334.284   17.305   0.0000   0.0000  334.284   17.305  ?   ?   347.359   9.2193      ?      ? 
1 1 1    3   33   15 o  199.444   9.5298  110.372   10.270   0.0000   0.0000  110.372   10.270  ?   ?   199.444   9.5298      ?      ? 
1 1 1    3   33   16 o  166.493   10.345   77.297   9.3069   0.0000   0.0000   77.297   9.3069  ?   ?   166.493   10.345      ?      ? 
1 1 1    3   33   17 o   73.641   19.334   16.927   7.7917   0.0000   0.0000   16.927   7.7917  ?   ?    73.641   19.334      ?      ? 
1 1 1    3   33   18 o  115.730   11.323   37.652   6.6478   44.077   11.944   34.769   8.0016  121.253   18.230  110.207   13.436 11.04671 22.64654 
1 1 1    3   33   19 o   61.822   15.421   11.722   6.4685   8.1959   10.847   13.667   8.0581   57.851   23.063   65.793   20.478 -7.941711 30.84292 
1 1 1    3   33   20 o  136.268   9.9975   51.904   7.0625   60.203   12.116   47.633   8.6919  143.229   15.654  129.307   12.440 13.92230 19.99498 
1 1 1    3   33   21 o  134.971   10.788   51.176   7.1032   58.446   13.591   48.445   8.3316  139.229   18.065  130.713   11.796 8.516464 21.57522 
1 1 1    3   33   22 o  151.774   10.819   67.760   8.8571   67.924   12.192   67.576   12.888  152.359   14.809  151.189   15.775 1.170273 21.63741 
1 1 1    3   33   23 o   52.622   15.806   4.7363   7.8754   6.6549   10.542   2.3131   11.847   54.250   22.326   50.994   22.380 3.255711 31.61187 
1 1 1    3   33   24 o   53.445   16.047   5.3282   7.9688   4.2962   10.422   6.7811   12.365   50.795   21.630   56.095   23.709 -5.300400 32.09368 
1 1 1    3   33   25 o   96.795   21.613   27.840   11.356   65.405   24.065   17.080   12.880  123.385   34.662   70.205   25.826 53.18027 43.22569 
1 1 1    3   33   26 o   70.122   20.850   13.199   14.632  -5.3694   23.194   25.473   18.857   59.388   27.972   80.855   30.926 -21.46716 41.69919 
1 1 1    3   33   27 o  122.019   20.477   49.348   14.806   98.018   24.751   22.225   18.477  166.551   27.502   77.486   30.347 89.06496 40.95482 
1 1 1    3   33   28 f   52.414   17.651  -9.5929   13.598 -13.6892   21.693  -6.9414   17.453   53.266   25.627   51.562   24.279 1.703629 35.30183 
1 1 1    3   33   29 o   79.066   21.335   29.657   14.182   12.872   23.223   39.640   17.910   64.864   29.647   93.267   30.687 -28.40328 42.66946 
1 1 1    3   33   30 o   78.594   17.639   25.370   8.7067   31.649   12.292   19.047   12.335   89.244   24.666   67.944   25.222 21.30025 35.27834 
1 1 1    3   33   31 o  103.221   15.427   37.715   8.4798   43.386   11.680   31.394   12.331  115.406   18.730   91.036   24.518 24.36932 30.85368 
1 1 1    3   33   32 o   93.904   15.749   32.713   8.7274   17.500   12.414   47.577   12.272   67.295   25.239  120.513   18.844 -53.21803 31.49829 
1 1 1    3   33   33 o   93.800   16.307   33.591   8.2062   33.574   11.478   33.608   11.737   94.126   22.806   93.474   23.315 0.6520386 32.61478 
1 1 1    3   34    0 o   45.197   18.995   2.2880   7.8639   0.0000   0.0000   2.2880   7.8639  ?   ?    45.197   18.995      ?      ? 
1 1 1    3   34    1 o   46.974   19.027   3.9220   7.5085   0.0000   0.0000   3.9220   7.5085  ?   ?    46.974   19.027      ?      ? 
1 1 1    3   34    2 o   84.343   18.097   21.721   8.0011   0.0000   0.0000   21.721   8.0011  ?   ?    84.343   18.097      ?      ? 
1 1 1    3   34    3 o  151.741   10.323   64.180   8.4643   0.0000   0.0000   64.180   8.4643  ?   ?   151.741   10.323      ?      ? 
1 1 1    3   34    4 o   36.805   16.846  -3.8058   7.5337   0.0000   0.0000  -3.8058   7.5337  ?   ?    36.805   16.846      ?      ? 
1 1 1    3   34    5 o   49.895   19.482   5.5639   7.5975   0.0000   0.0000   5.5639   7.5975  ?   ?    49.895   19.482      ?      ? 
1 1 1    3   34    6 o  145.733   10.827   59.403   8.5264   0.0000   0.0000   59.403   8.5264  ?   ?   145.733   10.827      ?      ? 
1 1 1    3   34    7 o   95.632   15.459   26.505   7.9885   0.0000   0.0000   26.505   7.9885  ?   ?    95.632   15.459      ?      ? 
1 1 1    3   34    8 o   56.663   23.434   6.0788   11.691   0.0000   0.0000   6.0788   11.691  ?   ?    56.663   23.434      ?      ? 
1 1 1    3   34    9 o  109.732   17.996   35.895   10.671   0.0000   0.0000   35.895   10.671  ?   ?   109.732   17.996      ?      ? 
1 1 1    3   34   10 o   34.964   16.306  -5.5576   7.5592   0.0000   0.0000  -5.5576   7.5592  ?   ?    34.964   16.306      ?      ? 
1 1 1    3   34   11 f   91.692   16.601   25.398   7.9223   0.0000   0.0000   25.398   7.9223  ?   ?    91.692   16.601      ?      ? 
1 1 1    3   34   12 o   36.514   16.843  -4.3534   7.7346   0.0000   0.0000  -4.3534   7.7346  ?   ?    36.514   16.843      ?      ? 
1 1 1    3   34   13 o   58.741   20.420   10.345   7.9354   0.0000   0.0000   10.345   7.9354  ?   ?    58.741   20.420      ?      ? 
1 1 1    3   34   14 o   93.835   15.307   25.751   7.7613   0.0000   0.0000   25.751   7.7613  ?   ?    93.835   15.307      ?      ? 
1 1 1    3   34   15 o   40.776   18.008  -0.5433   7.7825   0.0000   0.0000  -0.5433   7.7825  ?   ?    40.776   18.008      ?      ? 
1 1 1    3   34   16 f   46.034   19.039   3.5038   7.7170   0.0000   0.0000   3.5038   7.7170  ?   ?    46.034   19.039      ?      ? 
1 1 1    3   34   17 o  117.111   12.889   39.591   8.1566   0.0000   0.0000   39.591   8.1566  ?   ?   117.111   12.889      ?      ? 
1 1 1    3   34   18 o   97.981   14.940   28.497   7.9101   0.0000   0.0000   28.497   7.9101  ?   ?    97.981   14.940      ?      ? 
1 1 1    3   34   19 o   68.763   16.436   15.586   6.9415   18.550   12.115   14.137   8.4697   72.223   25.224   65.302   21.079 6.920990 32.87219 
1 1 1    3   34   20 o   51.669   21.673   5.0636   10.206   0.0000   0.0000   5.0636   10.206  ?   ?    51.669   21.673      ?      ? 
1 1 1    3   34   21 o   56.097   22.521   8.0182   10.420   0.0000   0.0000   8.0182   10.420  ?   ?    56.097   22.521      ?      ? 
1 1 1    3   34   22 o   94.374   22.039   29.627   11.036   0.0000   0.0000   29.627   11.036  ?   ?    94.374   22.039      ?      ? 
1 1 1    3   34   23 o   69.723   21.371   13.680   14.835   13.464   22.198   13.854   19.942   70.119   30.707   69.327   29.731 0.7924957 42.74155 
1 1 1    3   34   24 o   71.316   21.230   16.669   14.980   0.6926   22.565   29.257   20.030   60.429   28.179   82.202   31.761 -21.77287 42.45985 
1 1 1    3   34   25 o   58.718   18.172   4.6692   10.206  -3.9855   12.153   25.383   18.801   43.843   20.522   73.593   29.996 -29.74989 36.34406 
1 1 1    3   34   26 o   47.950   15.167   2.9021   8.0911   4.5258   11.156   1.1003   11.752   49.223   21.657   46.677   21.240 2.545872 30.33376 
1 1 1    3   34   27 o   72.312   17.222   20.074   8.3485   13.518   12.058   26.111   11.570   61.864   24.426   82.760   24.286 -20.89535 34.44460 
1 1 1    3   34   28 o   52.506   14.827   1.9841   7.8660   18.119   10.915 -15.4476   11.346   69.326   23.958   35.686   17.476 33.63975 29.65446 
1 1 1    3   34   29 o   51.923   15.818   6.9002   8.0446   7.0971   11.692   6.7233   11.086   52.377   22.616   51.468   22.122 0.9091034 31.63689 
1 1 1    3   34   30 o   41.891   13.818  -2.6246   7.7379   0.1309   10.653  -5.7023   11.258   43.676   20.006   40.107   19.067 3.568249 27.63659 
1 1 1    3   35    0 o   67.549   20.912   14.612   8.4157   0.0000   0.0000   14.612   8.4157  ?   ?    67.549   20.912      ?      ? 
1 1 1    3   35    1 o   58.132   20.594   10.044   8.0960   0.0000   0.0000   10.044   8.0960  ?   ?    58.132   20.594      ?      ? 
1 1 1    3   35    2 f   63.838   20.881   12.851   8.2970   0.0000   0.0000   12.851   8.2970  ?   ?    63.838   20.881      ?      ? 
1 1 1    3   35    3 o   65.781   20.727   13.796   8.2270   0.0000   0.0000   13.796   8.2270  ?   ?    65.781   20.727      ?      ? 
1 1 1    3   35    4 o  116.089   13.839   38.989   8.6814   0.0000   0.0000   38.989   8.6814  ?   ?   116.089   13.839      ?      ? 
1 1 1    3   35    5 o   49.887   19.786   5.6750   7.9458   0.0000   0.0000   5.6750   7.9458  ?   ?    49.887   19.786      ?      ? 
1 1 1    3   35    6 o  134.396   12.509   51.760   9.0844   0.0000   0.0000   51.760   9.0844  ?   ?   134.396   12.509      ?      ? 
1 1 1    3   35    7 o   60.982   24.290   10.351   12.022   0.0000   0.0000   10.351   12.022  ?   ?    60.982   24.290      ?      ? 
1 1 1    3   35    8 o   38.089   18.236 -10.7622   10.687   0.0000   0.0000 -10.7622   10.687  ?   ?    38.089   18.236      ?      ? 
1 1 1    3   35    9 o   67.674   20.625   15.112   8.2244   0.0000   0.0000   15.112   8.2244  ?   ?    67.674   20.625      ?      ? 
1 1 1    3   35   10 o  168.384   9.7939   79.880   8.9114   0.0000   0.0000   79.880   8.9114  ?   ?   168.384   9.7939      ?      ? 
1 1 1    3   35   11 o  121.927   13.260   43.344   8.7366   0.0000   0.0000   43.344   8.7366  ?   ?   121.927   13.260      ?      ? 
1 1 1    3   35   12 o   59.319   20.814   11.130   8.2536   0.0000   0.0000   11.130   8.2536  ?   ?    59.319   20.814      ?      ? 
1 1 1    3   35   13 o   86.458   19.372   24.106   8.8260   0.0000   0.0000   24.106   8.8260  ?   ?    86.458   19.372      ?      ? 
1 1 1    3   35   14 o  105.003   21.634   36.368   11.867   0.0000   0.0000   36.368   11.867  ?   ?   105.003   21.634      ?      ? 
1 1 1    3   35   15 o   85.441   24.254   25.445   11.719   0.0000   0.0000   25.445   11.719  ?   ?    85.441   24.254      ?      ? 
1 1 1    3   35   16 o   43.065   19.825  -4.0977   10.640   0.0000   0.0000  -4.0977   10.640  ?   ?    43.065   19.825      ?      ? 
1 1 1    3   35   17 o  110.400   18.281   37.483   10.905   0.0000   0.0000   37.483   10.905  ?   ?   110.400   18.281      ?      ? 
1 1 1    3   35   18 o   55.868   22.557   8.0971   10.517   0.0000   0.0000   8.0971   10.517  ?   ?    55.868   22.557      ?      ? 
1 1 1    3   35   19 f   35.805   17.271 -10.9617   10.004   0.0000   0.0000 -10.9617   10.004  ?   ?    35.805   17.271      ?      ? 
1 1 1    3   35   20 o   45.782   14.049   1.8144   7.0841 -10.6869   12.092   8.3476   8.7413   39.237   18.942   52.327   20.754 -13.08969 28.09799 
1 1 1    3   35   21 o  102.545   15.202   38.539   7.6645   35.158   13.811   40.044   9.2135   91.720   26.425  113.369   15.040 -21.64918 30.40483 
1 1 1    3   35   22 o   74.702   16.260   19.748   6.8405   24.775   12.173   17.428   8.2699   79.073   25.244   70.332   20.502 8.740715 32.52031 
1 1 1    3   35   23 o   65.145   16.406   14.767   6.9982   18.273   11.951   12.939   8.6331   69.136   24.962   61.153   21.297 7.983002 32.81221 
1 1 1    3   35   24 o   57.162   16.904   10.195   8.7374   10.266   12.585   10.129   12.140   57.354   24.063   56.969   23.747 0.3849030 33.80716 
1 1 1    3   35   25 o   59.284   16.390   11.520   7.8986   4.4011   10.429   21.095   12.096   47.927   21.017   70.641   25.156 -22.71448 32.78015 
1 1 1    3   35   26 o   48.997   15.122   2.4793   8.2990   13.467   11.504  -9.4423   11.983   59.047   23.679   38.946   18.814 20.10152 30.24373 
1 1 1    3   36    0 o  139.349   12.196   55.665   9.1835   0.0000   0.0000   55.665   9.1835  ?   ?   139.349   12.196      ?      ? 
1 1 1    3   36    1 o  136.408   12.398   53.439   9.1385   0.0000   0.0000   53.439   9.1385  ?   ?   136.408   12.398      ?      ? 
1 1 1    3   36    2 o   52.718   22.681   3.9800   11.673   0.0000   0.0000   3.9800   11.673  ?   ?    52.718   22.681      ?      ? 
1 1 1    3   36    3 f  134.923   12.360   52.251   9.0115   0.0000   0.0000   52.251   9.0115  ?   ?   134.923   12.360      ?      ? 
1 1 1    3   36    4 o  123.111   13.408   43.947   8.9198   0.0000   0.0000   43.947   8.9198  ?   ?   123.111   13.408      ?      ? 
1 1 1    3   36    5 o  130.735   15.405   50.635   10.883   0.0000   0.0000   50.635   10.883  ?   ?   130.735   15.405      ?      ? 
1 1 1    3   36    7 o  138.661   30.799   73.288   22.477   0.0000   0.0000   73.288   22.477  ?   ?   138.661   30.799      ?      ? 
1 1 1    3   36    8 o   84.769   23.840   24.995   11.377   0.0000   0.0000   24.995   11.377  ?   ?    84.769   23.840      ?      ? 
1 1 1    3   36    9 o   36.779   17.906 -15.3549   11.418   0.0000   0.0000 -15.3549   11.418  ?   ?    36.779   17.906      ?      ? 
1 1 1    3   36   10 o   73.557   24.733   19.495   11.620   0.0000   0.0000   19.495   11.620  ?   ?    73.557   24.733      ?      ? 
1 1 1    3   36   11 o   54.506   22.927   7.1371   11.473   0.0000   0.0000   7.1371   11.473  ?   ?    54.506   22.927      ?      ? 
1 1 1    3   36   12 o  165.333   13.578   81.962   12.131   0.0000   0.0000   81.962   12.131  ?   ?   165.333   13.578      ?      ? 
1 1 1    3   36   13 o   91.464   22.303   30.761   10.924   0.0000   0.0000   30.761   10.924  ?   ?    91.464   22.303      ?      ? 
1 1 1    3   36   14 o   57.235   21.063   11.546   8.5676   0.0000   0.0000   11.546   8.5676  ?   ?    57.235   21.063      ?      ? 
1 1 1    3   36   15 o   42.778   18.597   2.3205   8.0140   0.0000   0.0000   2.3205   8.0140  ?   ?    42.778   18.597      ?      ? 
1 1 1    3   36   16 o   64.812   20.946   14.785   8.3611   0.0000   0.0000   14.785   8.3611  ?   ?    64.812   20.946      ?      ? 
1 1 1    3   36   17 o   53.166   19.872   8.8158   7.6829   0.0000   0.0000   8.8158   7.6829  ?   ?    53.166   19.872      ?      ? 
1 1 1    3   36   18 o   81.232   18.230   21.946   7.8055   0.0000   0.0000   21.946   7.8055  ?   ?    81.232   18.230      ?      ? 
1 1 1    3   36   19 o   77.899   19.390   21.170   8.1298   0.0000   0.0000   21.170   8.1298  ?   ?    77.899   19.390      ?      ? 
1 1 1    3   36   20 o   60.059   20.652   13.252   8.1055   0.0000   0.0000   13.252   8.1055  ?   ?    60.059   20.652      ?      ? 
1 1 1    3   37    0 o   58.358   23.874   11.126   11.964   0.0000   0.0000   11.126   11.964  ?   ?    58.358   23.874      ?      ? 
1 1 1    3   37    1 o   65.700   24.516   16.384   11.684   0.0000   0.0000   16.384   11.684  ?   ?    65.700   24.516      ?      ? 
1 1 1    3   37    2 f   40.012   18.986  -7.0059   11.061   0.0000   0.0000  -7.0059   11.061  ?   ?    40.012   18.986      ?      ? 
1 1 1    3   37    3 o   52.179   22.155   6.5094   10.876   0.0000   0.0000   6.5094   10.876  ?   ?    52.179   22.155      ?      ? 
1 1 1    3   37    4 o   52.371   22.466   6.1369   11.392   0.0000   0.0000   6.1369   11.392  ?   ?    52.371   22.466      ?      ? 
1 1 1    3   37    5 o   50.104   24.707 -21.9054   23.978   0.0000   0.0000 -21.9054   23.978  ?   ?    50.104   24.707      ?      ? 
1 1 1    3   37    6 o   55.311   22.613   8.8968   10.726   0.0000   0.0000   8.8968   10.726  ?   ?    55.311   22.613      ?      ? 
1 1 1    3   37    7 o   50.015   19.842   6.8952   7.9920   0.0000   0.0000   6.8952   7.9920  ?   ?    50.015   19.842      ?      ? 
1 1 1    3   37    8 o   39.953   17.980  -0.6187   8.1477   0.0000   0.0000  -0.6187   8.1477  ?   ?    39.953   17.980      ?      ? 
1 1 1    3   37    9 o   59.848   20.822   12.433   8.2519   0.0000   0.0000   12.433   8.2519  ?   ?    59.848   20.822      ?      ? 
1 1 1    3   37   10 o   76.972   20.616   21.133   8.7465   0.0000   0.0000   21.133   8.7465  ?   ?    76.972   20.616      ?      ? 
1 1 1    3   37   11 o   85.689   19.379   25.500   8.7630   0.0000   0.0000   25.500   8.7630  ?   ?    85.689   19.379      ?      ? 
1 1 1    3   37   12 o   33.581   16.070  -7.1216   8.2758   0.0000   0.0000  -7.1216   8.2758  ?   ?    33.581   16.070      ?      ? 
1 1 1    3   37   13 o   56.193   21.122   11.394   8.7041   0.0000   0.0000   11.394   8.7041  ?   ?    56.193   21.122      ?      ? 
1 1 1    4    0    0 o  817.268   9.8733  1806.89   61.623  1806.89   61.623  1806.89   61.623  817.268   13.963  817.268   13.963 0.000000 0.000000 
1 1 1    4    0    1 o  437.821   5.6220  518.487   18.796  518.487   18.796  518.487   18.796  437.821   7.9508  437.821   7.9508 0.000000 0.000000 
1 1 1    4    0    2 o  518.200   6.4967  726.353   25.709  726.353   25.709  726.353   25.709  518.200   9.1877  518.200   9.1877 0.000000 0.000000 
1 1 1    4    0    3 o  426.421   5.5060  491.850   17.929  491.850   17.929  491.850   17.929  426.421   7.7867  426.421   7.7867 0.000000 0.000000 
1 1 1    4    0    4 o  430.625   5.5637  501.589   18.295  501.589   18.295  501.589   18.295  430.625   7.8682  430.625   7.8682 0.000000 0.000000 
1 1 1    4    0    5 o  914.478   11.000  2262.43   76.822  2262.43   76.822  2262.43   76.822  914.478   15.556  914.478   15.556 0.000000 0.000000 
1 1 1    4    0    6 o  441.990   5.6852  528.402   19.188  528.402   19.188  528.402   19.188  441.990   8.0401  441.990   8.0401 0.000000 0.000000 
1 1 1    4    0    7 o  679.419   8.3097  1248.66   43.116  1248.66   43.116  1248.66   43.116  679.419   11.752  679.419   11.752 0.000000 0.000000 
1 1 1    4    0    8 o  972.731   11.674  2560.31   86.726  2560.31   86.726  2560.31   86.726  972.731   16.510  972.731   16.510 0.000000 0.000000 
1 1 1    4    0    9 o  1223.91   14.587  4054.69  136.340  4054.69  136.340  4054.69  136.340  1223.91   20.628  1223.91   20.628 0.000000 0.000000 
1 1 1    4    0   10 o  443.824   5.7300  532.809   19.420  532.809   19.420  532.809   19.420  443.824   8.1035  443.824   8.1035 0.000000 0.000000 
1 1 1    4    0   11 o  557.134   6.9697  839.581   29.653  839.581   29.653  839.581   29.653  557.134   9.8566  557.134   9.8566 0.000000 0.000000 
1 1 1    4    0   12 o   98.457   3.2941   26.368   2.4659   26.368   2.4659   26.368   2.4659   98.457   4.6586   98.457   4.6586 0.000000 0.000000 
1 1 1    4    0   13 o  376.117   5.0552  382.665   14.518  382.665   14.518  382.665   14.518  376.117   7.1491  376.117   7.1491 0.000000 0.000000 
1 1 1    4    0   14 o  283.349   4.1826  217.222   9.0478  217.222   9.0478  217.222   9.0478  283.349   5.9150  283.349   5.9150 0.000000 0.000000 
1 1 1    4    0   15 o  1188.97   14.192  3826.55  128.869  3826.55  128.869  3826.55  128.869  1188.97   20.071  1188.97   20.071 0.000000 0.000000 
1 1 1    4    0   16 o  352.092   4.8434  335.364   13.021  335.364   13.021  335.364   13.021  352.092   6.8496  352.092   6.8496 0.000000 0.000000 
1 1 1    4    0   17 o  259.029   4.0215  181.562   7.9518  181.562   7.9518  181.562   7.9518  259.029   5.6873  259.029   5.6873 0.000000 0.000000 
1 1 1    4    0   18 o   86.791   4.1354   20.631   2.7142   20.631   2.7142   20.631   2.7142   86.791   5.8483   86.791   5.8483 0.000000 0.000000 
1 1 1    4    0   19 o  1034.48   12.424  2898.61   98.156  2898.61   98.156  2898.61   98.156  1034.48   17.571  1034.48   17.571 0.000000 0.000000 
1 1 1    4    0   20 o  466.915   6.0561  589.861   21.593  589.861   21.593  589.861   21.593  466.915   8.5646  466.915   8.5646 0.000000 0.000000 
1 1 1    4    0   21 o  373.185   5.1154  376.816   14.576  376.816   14.576  376.816   14.576  373.185   7.2343  373.185   7.2343 0.000000 0.000000 
1 1 1    4    0   22 o  676.237   8.3534  1237.75   43.138  1237.75   43.138  1237.75   43.138  676.237   11.813  676.237   11.813 0.000000 0.000000 
1 1 1    4    0   23 o  911.398   11.025  2249.91   76.736  2249.91   76.736  2249.91   76.736  911.398   15.592  911.398   15.592 0.000000 0.000000 
1 1 1    4    0   24 o  1043.16   12.547  2949.42   99.953  2949.42   99.953  2949.42   99.953  1043.16   17.744  1043.16   17.744 0.000000 0.000000 
1 1 1    4    0   25 o  1432.24   17.092  5569.54  186.951  5569.54  186.951  5569.54  186.951  1432.24   24.171  1432.24   24.171 0.000000 0.000000 
1 1 1    4    0   26 o   91.594   5.0515   23.085   3.4864   23.085   3.4864   23.085   3.4864   91.594   7.1439   91.594   7.1439 0.000000 0.000000 
1 1 1    4    0   27 o  525.861   6.7433  748.291   27.079  748.291   27.079  748.291   27.079  525.861   9.5365  525.861   9.5365 0.000000 0.000000 
1 1 1    4    0   28 o  835.705   10.180  1890.73   64.968  1890.73   64.968  1890.73   64.968  835.705   14.396  835.705   14.396 0.000000 0.000000 
1 1 1    4    0   29 o  406.776   5.5726  447.706   17.308  447.706   17.308  447.706   17.308  406.776   7.8808  406.776   7.8808 0.000000 0.000000 
1 1 1    4    0   30 o  117.966   5.0329   38.016   4.4993   38.016   4.4993   38.016   4.4993  117.966   7.1176  117.966   7.1176 0.000000 0.000000 
1 1 1    4    0   31 o  939.630   11.383  2390.03   81.684  2390.03   81.684  2390.03   81.684  939.630   16.098  939.630   16.098 0.000000 0.000000 
1 1 1    4    0   32 f  1712.36   20.366  7954.88  266.336  7954.88  266.336  7954.88  266.336  1712.36   28.802  1712.36   28.802 0.000000 0.000000 
1 1 1    4    0   35 o  798.902   13.955  1730.63   85.080  1730.63   85.080  1730.63   85.080  798.902   19.735  798.902   19.735 0.000000 0.000000 
1 1 1    4    0   36 o  1199.01   20.411  3907.66  186.772  3907.66  186.772  3907.66  186.772  1199.01   28.865  1199.01   28.865 0.000000 0.000000 
1 1 1    4    0   37 o   78.007   15.567   19.946   8.0354   19.946   8.0354   19.946   8.0354   78.007   22.015   78.007   22.015 0.000000 0.000000 
1 1 1    4    0   38 o  261.696   7.4698  186.059   14.883  186.059   14.883  186.059   14.883  261.696   10.564  261.696   10.564 0.000000 0.000000 
1 1 1    4    0   39 o  352.734   5.5521  336.799   14.949  336.799   14.949  336.799   14.949  352.734   7.8519  352.734   7.8519 0.000000 0.000000 
1 1 1    4    0   40 o  314.125   5.5302  267.209   13.257  267.209   13.257  267.209   13.257  314.125   7.8209  314.125   7.8209 0.000000 0.000000 
1 1 1    4    0   41 o  336.014   5.5954  305.710   14.350  305.710   14.350  305.710   14.350  336.014   7.9131  336.014   7.9131 0.000000 0.000000 
1 1 1    4    0   42 o  887.214   10.874  2133.21   73.677  2133.21   73.677  2133.21   73.677  887.214   15.378  887.214   15.378 0.000000 0.000000 
1 1 1    4    0   44 o  508.630   6.8339  700.585   26.541  700.585   26.541  700.585   26.541  508.630   9.6646  508.630   9.6646 0.000000 0.000000 
1 1 1    4    0   45 o  357.607   5.6304  346.344   15.370  346.344   15.370  346.344   15.370  357.607   7.9626  357.607   7.9626 0.000000 0.000000 
1 1 1    4    0   46 o  896.966   11.001  2184.77   75.353  2184.77   75.353  2184.77   75.353  896.966   15.557  896.966   15.557 0.000000 0.000000 
1 1 1    4    0   47 o  472.461   6.5047  604.846   23.465  604.846   23.465  604.846   23.465  472.461   9.1990  472.461   9.1990 0.000000 0.000000 
1 1 1    4    0   48 o  352.910   5.5798  337.506   15.031  337.506   15.031  337.506   15.031  352.910   7.8910  352.910   7.8910 0.000000 0.000000 
1 1 1    4    0   49 o  226.990   5.4101  139.924   9.3604  139.924   9.3604  139.924   9.3604  226.990   7.6510  226.990   7.6510 0.000000 0.000000 
1 1 1    4    0   50 o  407.804   5.9586  450.922   18.552  450.922   18.552  450.922   18.552  407.804   8.4268  407.804   8.4268 0.000000 0.000000 
1 1 1    4    0   51 o   62.904   14.564   13.768   6.2051   13.768   6.2051   13.768   6.2051   62.904   20.597   62.904   20.597 0.000000 0.000000 
1 1 1    4    0   52 o  294.681   5.3004  235.666   11.919  235.666   11.919  235.666   11.919  294.681   7.4959  294.681   7.4959 0.000000 0.000000 
1 1 1    4    0   53 o   39.125   14.917   6.0315   6.1943   6.0315   6.1943   6.0315   6.1943   39.125   21.096   39.125   21.096 0.000000 0.000000 
1 1 1    4    0   54 o  357.536   5.6600  347.152   15.447  347.152   15.447  347.152   15.447  357.536   8.0044  357.536   8.0044 0.000000 0.000000 
1 1 1    4    0   55 o  336.488   5.5120  307.657   14.156  307.657   14.156  307.657   14.156  336.488   7.7951  336.488   7.7951 0.000000 0.000000 
1 1 1    4    0   56 o  162.579   6.1477   72.419   7.5881   72.419   7.5881   72.419   7.5881  162.579   8.6942  162.579   8.6942 0.000000 0.000000 
1 1 1    4    0   57 o   24.427   11.623  -2.4068   6.2017  -2.4068   6.2017  -2.4068   6.2017   24.427   16.437   24.427   16.437 0.000000 0.000000 
1 1 1    4    0   58 o   24.047   11.530  -3.0204   6.3340  -3.0204   6.3340  -3.0204   6.3340   24.047   16.306   24.047   16.306 0.000000 0.000000 
1 1 1    4    0   59 o   93.704   10.254   25.841   6.8189   25.841   6.8189   25.841   6.8189   93.704   14.501   93.704   14.501 0.000000 0.000000 
1 1 1    4    0   60 o   63.461   15.235   14.556   6.6200   14.556   6.6200   14.556   6.6200   63.461   21.546   63.461   21.546 0.000000 0.000000 
1 1 1    4    0   63 o  213.233   9.2737  127.410   14.981  127.410   14.981  127.410   14.981  213.233   13.115  213.233   13.115 0.000000 0.000000 
1 1 1    4    0   64 o  244.938   5.8826  164.617   10.982  164.617   10.982  164.617   10.982  244.938   8.3192  244.938   8.3192 0.000000 0.000000 
1 1 1    4    0   65 f   21.794   10.899  -8.2849   7.4244  -8.2849   7.4244  -8.2849   7.4244   21.794   15.414   21.794   15.414 0.000000 0.000000 
1 1 1    4    0   66 o   40.572   16.419   6.8962   8.0446   6.8962   8.0446   6.8962   8.0446   40.572   23.221   40.572   23.221 0.000000 0.000000 
1 1 1    4    0   67 o   85.351   15.234   24.632   8.5928   24.632   8.5928   24.632   8.5928   85.351   21.544   85.351   21.544 0.000000 0.000000 
1 1 1    4    0   68 o  183.120   7.1509   94.366   9.9371   94.366   9.9371   94.366   9.9371  183.120   10.113  183.120   10.113 0.000000 0.000000 
1 1 1    4    0   69 o   36.069   15.641   4.9375   8.2879   4.9375   8.2879   4.9375   8.2879   36.069   22.120   36.069   22.120 0.000000 0.000000 
1 1 1    4    1    1 o  863.096   10.403  2013.62   48.496  2050.08   69.838  1979.67   67.396  870.629   14.845  855.563   14.578 15.06531 20.80572 
1 1 1    4    1    2 o  496.134   8.8528  665.307   23.734  665.307   23.734   0.0000   0.0000  496.134   8.8528  ?   ?       ?      ? 
1 1 1    4    1    3 o  506.754   12.796  694.369   35.040   0.0000   0.0000  694.369   35.040  ?   ?   506.754   12.796      ?      ? 
1 1 1    4    1    4 o  947.843   16.115  2432.04   82.528  2409.91  115.700  2454.96  117.752  943.463   22.695  952.223   22.884 -8.760193 32.22950 
1 1 1    4    1    5 f  1468.05   24.697  5844.93  195.813  5740.99  271.730  5957.21  282.423  1454.55   34.572  1481.56   35.277 -27.00586 49.39318 
1 1 1    4    1    6 o  586.156   8.8949  931.224   26.658  936.289   32.816  921.396   45.712  588.561   10.318  583.750   14.492 4.810120 17.78979 
1 1 1    4    1    7 o  1106.64   13.223  3313.55   79.068  3300.83  111.309  3326.50  112.335  1104.50   18.650  1108.78   18.749 -4.278442 26.44534 
1 1 1    4    1    8 o  1172.54   13.987  3719.00   88.572  3793.17  127.842  3650.54  122.827  1183.76   19.986  1161.33   19.573 22.42297 27.97366 
1 1 1    4    1    9 o  748.906   9.1010  1516.06   36.822  1497.33   51.407  1535.81   52.767  744.159   12.784  753.653   12.957 -9.493713 18.20206 
1 1 1    4    1   10 o  564.114   7.0326  859.737   21.430  874.319   30.798  846.051   29.837  568.747   10.021  559.481   9.8694 9.266357 14.06517 
1 1 1    4    1   11 o  508.430   6.4300  698.639   17.666  699.640   24.998  697.640   24.969  508.794   9.0922  508.066   9.0947 0.7275696 12.86007 
1 1 1    4    1   12 o  1055.89   12.639  3014.76   72.094  3057.93  103.442  2973.99  100.534  1063.22   18.005  1048.55   17.743 14.67664 25.27830 
1 1 1    4    1   13 o  1090.62   13.038  3217.43   76.825  3250.00  109.775  3186.16  107.552  1096.02   18.535  1085.22   18.341 10.80225 26.07548 
1 1 1    4    1   14 o  689.479   8.4471  1285.17   31.470  1291.88   44.742  1278.60   44.273  691.259   11.978  687.700   11.914 3.559753 16.89421 
1 1 1    4    1   15 f  517.867   6.5623  723.697   18.340  747.964   26.764  702.214   25.183  526.034   9.4157  509.699   9.1432 16.33505 13.12455 
1 1 1    4    1   16 o  413.301   5.4521  461.105   12.166  474.859   17.650  448.654   16.793  419.164   7.7924  407.437   7.6276 11.72754 10.90419 
1 1 1    4    1   17 o  412.478   5.4600  459.643   12.166  467.834   17.483  451.953   16.940  416.039   7.7766  408.918   7.6662 7.120209 10.91999 
1 1 1    4    1   18 o  748.347   9.1380  1512.55   36.898  1565.60   53.977  1466.02   50.554  760.623   13.133  736.072   12.710 24.55078 18.27602 
1 1 1    4    1   19 o  746.129   9.1164  1506.76   36.755  1512.32   52.172  1501.29   51.789  747.493   12.916  744.765   12.869 2.728088 18.23271 
1 1 1    4    1   20 f  641.070   7.9422  1111.94   27.513  1112.95   38.956  1110.94   38.861  641.360   11.241  640.780   11.223 0.5800171 15.88437 
1 1 1    4    1   21 o  357.750   4.9709  345.903   9.6078  350.803   13.749  341.227   13.431  360.225   7.0634  355.276   6.9963 4.948853 9.941796 
1 1 1    4    1   22 o  228.590   3.9335  141.171   4.8576  137.652   6.7891  144.863   6.9532  225.672   5.5673  231.507   5.5582 -5.835236 7.866916 
1 1 1    4    1   23 o  582.121   7.3113  916.885   22.998  916.618   32.526  917.152   32.524  582.036   10.342  582.206   10.338 -0.1697388 14.62264 
1 1 1    4    1   24 o  588.927   7.3926  938.242   23.519  952.807   33.758  924.505   32.785  593.360   10.529  584.495   10.380 8.865540 14.78514 
1 1 1    4    1   25 o  289.952   4.4421  227.246   6.9591  229.035   9.9253  225.516   9.7602  291.073   6.3103  288.830   6.2536 2.242859 8.884108 
1 1 1    4    1   26 o  473.431   6.1773  605.400   15.789  588.228   21.782  624.412   22.920  466.371   8.6434  480.490   8.8278 -14.11990 12.35466 
1 1 1    4    1   27 o  163.000   4.0295   71.598   3.5406   79.017   5.1509   64.953   4.8748  170.981   5.5751  155.018   5.8195 15.96349 8.058996 
1 1 1    4    1   28 o  448.184   5.9530  543.120   14.417  543.617   20.429  542.629   20.349  448.387   8.4315  447.981   8.4060 0.4065552 11.90593 
1 1 1    4    1   29 o  1532.30   18.289  6386.15  151.425  6423.28  215.464  6349.91  212.855  1536.66   25.948  1527.93   25.781 8.734985 36.57796 
1 1 1    4    1   30 o  513.086   6.6606  711.747   18.465  704.555   25.906  719.174   26.326  510.453   9.3921  515.719   9.4469 -5.266205 13.32119 
1 1 1    4    1   31 o  849.264   10.350  1951.88   47.493  1939.32   66.738  1964.75   67.601  846.503   14.590  852.026   14.683 -5.522278 20.69914 
1 1 1    4    1   32 o  1113.65   18.972  3366.61  114.076  3450.45  165.393  3290.54  157.549  1126.79   27.164  1100.52   26.493 26.26379 37.94391 
1 1 1    4    1   33 o  1184.52   28.492  3817.57  182.369  3817.57  182.369   0.0000   0.0000  1184.52   28.492  ?   ?       ?      ? 
1 1 1    4    1   34 f  633.085   16.102  1085.36   55.083  1085.36   55.083   0.0000   0.0000  633.085   16.102  ?   ?       ?      ? 
1 1 1    4    1   35 o  572.805   10.418  888.080   32.243  875.450   45.234  901.126   45.973  568.666   14.720  576.943   14.746 -8.276855 20.83592 
1 1 1    4    1   36 o  422.769   7.2512  477.860   15.425  498.649   27.646  468.464   18.587  429.287   11.918  416.250   8.2636 13.03641 14.50244 
1 1 1    4    1   37 o  273.612   7.0198  202.389   10.379   0.0000   0.0000  202.389   10.379  ?   ?   273.612   7.0198      ?      ? 
1 1 1    4    1   38 o  362.143   6.8193  351.438   12.477  345.616   15.100  363.964   22.151  357.529   7.8159  366.757   11.177 -9.228455 13.63856 
1 1 1    4    1   39 o  504.118   8.2817  690.538   21.362  696.277   26.338  679.505   36.520  507.339   9.6072  500.896   13.493 6.442993 16.56342 
1 1 1    4    1   40 o  485.976   6.6404  638.820   17.437  633.853   24.518  643.903   24.805  484.066   9.3732  487.886   9.4086 -3.820313 13.28073 
1 1 1    4    1   41 o  359.499   5.6728  349.341   11.016  356.544   15.851  342.614   15.320  363.078   8.0792  355.919   7.9656 7.158020 11.34566 
1 1 1    4    1   42 o  285.255   5.3279  220.067   8.2124  221.391   11.661  218.764   11.567  286.106   7.5428  284.405   7.5267 1.701843 10.65578 
1 1 1    4    1   43 o  665.806   8.4428  1201.21   30.373  1191.15   42.636  1211.57   43.280  662.982   11.901  668.630   11.979 -5.647217 16.88564 
1 1 1    4    1   44 o  511.170   6.8651  706.746   18.943  728.438   27.554  687.303   26.086  518.582   9.8327  503.759   9.5830 14.82330 13.73013 
1 1 1    4    1   45 o  540.408   7.1411  791.330   20.852  794.544   29.650  788.185   29.332  541.489   10.133  539.328   10.065 2.160583 14.28212 
1 1 1    4    1   46 o  617.606   7.9298  1033.95   26.442  1061.74   38.352  1008.77   36.506  625.475   11.347  609.736   11.080 15.73853 15.85955 
1 1 1    4    1   47 o  494.363   6.7132  662.519   17.929  649.942   25.024  675.784   25.701  489.551   9.4596  499.175   9.5280 -9.624054 13.42635 
1 1 1    4    1   48 f  361.349   5.6493  352.905   11.012  369.907   16.166  338.188   15.040  369.431   8.0983  353.267   7.8789 16.16440 11.29866 
1 1 1    4    1   49 o  101.193   8.6109   27.921   4.7066   27.471   6.7185   28.355   6.5954  100.376   12.387  102.009   11.965 -1.632660 17.22181 
1 1 1    4    1   50 o  187.631   5.6195   95.369   5.6933  100.385   8.2204   90.746   7.8926  192.369   7.9081  182.893   7.9861 9.476379 11.23899 
1 1 1    4    1   51 o  166.837   5.9910   75.606   5.4010   75.035   7.6211   76.182   7.6553  166.204   8.4857  167.471   8.4593 -1.267319 11.98193 
1 1 1    4    1   52 o  127.790   7.1223   44.646   4.9005   40.494   6.9520   48.747   6.9090  121.811   10.562  133.770   9.5580 -11.95885 14.24458 
1 1 1    4    1   53 o  118.227   7.7985   38.477   4.9100   30.752   6.8827   46.482   7.0066  105.928   12.024  130.526   9.9340 -24.59796 15.59709 
1 1 1    4    1   54 o  169.999   6.0571   78.846   5.5558   82.817   7.7994   74.755   7.9162  174.398   8.2762  165.601   8.8463 8.796738 12.11418 
1 1 1    4    1   55 o  185.455   5.7922   93.748   5.8032   94.704   8.3151   92.841   8.1029  186.363   8.2570  184.547   8.1254 1.815338 11.58448 
1 1 1    4    1   56 o  164.875   8.5686   74.246   7.6340   0.0000   0.0000   74.246   7.6340  ?   ?   164.875   8.5686      ?      ? 
1 1 1    4    1   57 o  123.977   7.3266   42.434   4.8931   39.646   7.0283   45.056   6.8165  119.904   10.847  128.051   9.8512 -8.146896 14.65313 
1 1 1    4    1   58 o   84.751   10.299   20.429   4.6221   21.316   6.6939   19.622   6.3900   87.144   14.215   82.357   14.907 4.787544 20.59859 
1 1 1    4    1   59 o  202.278   5.6539  112.117   6.1791  112.432   8.6769  111.794   8.8017  202.590   7.9261  201.966   8.0649 0.6240692 11.30774 
1 1 1    4    1   60 o  114.717   9.1316   35.701   5.5234   42.838   9.1057   31.547   6.9475  123.210   13.677  106.224   12.104 16.98656 18.26327 
1 1 1    4    1   61 o   85.539   15.681   23.319   7.2778   24.459   9.5534   21.741   11.235   88.862   20.335   82.217   23.875 6.644958 31.36172 
1 1 1    4    1   63 o  234.170   8.5406  154.593   10.797  159.189   15.682  150.450   14.888  237.351   12.227  230.989   11.928 6.362061 17.08114 
1 1 1    4    1   64 o   72.494   13.353   16.372   5.4840   22.697   7.9534   10.640   7.5719   85.819   17.737   59.169   19.965 26.65005 26.70591 
1 1 1    4    1   65 o   94.703   11.542   27.271   5.7876   26.751   8.1858   27.790   8.1840   92.973   16.917   96.434   15.705 -3.461281 23.08324 
1 1 1    4    1   66 o   49.345   13.608   4.1492   5.8561  -3.7534   8.4620   11.412   8.1125   38.528   17.715   60.162   20.662 -21.63449 27.21661 
1 1 1    4    1   67 f  106.888   11.712   35.516   6.3312   24.579   8.8468   46.997   9.0646   86.926   19.334  126.851   13.224 -39.92503 23.42385 
1 1 1    4    1   68 o  184.287   7.2528   97.899   7.2205  100.665   10.231   95.156   10.191  187.030   10.124  181.545   10.389 5.484299 14.50568 
1 1 1    4    1   69 o  158.943   8.0343   74.153   6.8931   76.040   10.024   72.461   9.4942  160.648   11.547  157.237   11.174 3.410690 16.06851 
1 1 1    4    2    0 o  138.718   3.0380   51.990   2.2771   52.765   3.2371   51.231   3.2038  139.741   4.2870  137.695   4.3059 2.045319 6.076068 
1 1 1    4    2    1 o  436.912   7.9934  515.913   18.872   0.0000   0.0000  515.913   18.872  ?   ?   436.912   7.9934      ?      ? 
1 1 1    4    2    2 o  1099.78   13.151  3272.58   78.154  3257.87  110.062  3287.54  110.997  1097.29   18.562  1102.27   18.635 -4.978638 26.30262 
1 1 1    4    2    4 o  944.001   22.657  2412.16  115.577  2412.16  115.577   0.0000   0.0000  944.001   22.657  ?   ?       ?      ? 
1 1 1    4    2    5 o  825.240   12.263  1830.86   51.089  1811.11   61.870  1873.20   90.577  818.444   13.990  832.037   20.146 -13.59308 24.52688 
1 1 1    4    2    6 f  775.684   11.538  1627.54   45.574  1627.79   55.793  1627.03   79.003  775.916   13.307  775.453   18.854 0.4630127 23.07677 
1 1 1    4    2    7 o  774.621   13.337  1622.52   55.826   0.0000   0.0000  1622.52   55.826  ?   ?   774.621   13.337      ?      ? 
1 1 1    4    2    8 o  748.823   9.1064  1516.04   36.845  1504.03   51.707  1528.44   52.516  745.812   12.830  751.834   12.927 -6.021606 18.21287 
1 1 1    4    2    9 o  1409.72   16.770  5382.04  127.738  5348.97  179.527  5415.95  181.790  1405.35   23.641  1414.10   23.790 -8.750488 33.53902 
1 1 1    4    2   10 o  1631.01   19.345  7207.27  170.484  7160.47  239.458  7255.38  242.779  1625.66   27.259  1636.36   27.456 -10.70471 38.68991 
1 1 1    4    2   11 o  1461.85   17.358  5785.73  137.102  5736.81  192.139  5836.47  195.693  1455.57   24.428  1468.13   24.667 -12.55786 34.71632 
1 1 1    4    2   12 o  681.385   8.3530  1255.05   30.755  1250.27   43.329  1259.91   43.661  680.078   11.790  682.693   11.835 -2.615417 16.70594 
1 1 1    4    2   13 o  475.351   6.0892  610.493   15.637  619.173   22.414  602.262   21.826  478.641   8.6661  472.061   8.5565 6.579987 12.17848 
1 1 1    4    2   14 o  1205.79   14.382  3935.11   93.692  3978.79  134.071  3893.41  130.985  1212.31   20.466  1199.27   20.212 13.04993 28.76453 
1 1 1    4    2   15 o  644.599   7.9594  1122.68   27.711  1144.57   39.936  1102.35   38.483  650.653   11.359  638.546   11.153 12.10675 15.91877 
1 1 1    4    2   16 o  313.430   4.4952  265.449   7.6127  267.760   10.854  263.211   10.680  314.772   6.3812  312.087   6.3330 2.684387 8.990377 
1 1 1    4    2   17 o  481.521   6.1888  626.478   16.097  637.971   23.145  615.709   22.403  485.794   8.8169  477.247   8.6873 8.547333 12.37767 
1 1 1    4    2   18 o  592.571   7.3976  949.619   23.685  958.042   33.786  941.479   33.213  595.152   10.506  589.990   10.418 5.161682 14.79513 
1 1 1    4    2   19 o  638.197   7.9121  1101.92   27.285  1104.79   38.685  1099.08   38.491  639.024   11.203  637.371   11.176 1.652527 15.82420 
1 1 1    4    2   20 o  773.819   9.4387  1620.72   39.460  1640.62   56.494  1601.75   55.139  778.448   13.430  769.190   13.266 9.258301 18.87745 
1 1 1    4    2   21 o  315.430   4.5874  268.953   7.8191  267.578   11.032  270.340   11.084  314.620   6.4888  316.239   6.4864 -1.619568 9.174872 
1 1 1    4    2   22 o  135.703   3.8237   49.767   2.8024   47.543   3.9346   52.056   3.9923  132.626   5.4901  138.781   5.3237 -6.154434 7.647416 
1 1 1    4    2   23 o  204.579   3.8543  113.012   4.2587  116.953   6.1410  109.361   5.9108  208.011   5.4635  201.146   5.4381 6.864838 7.708594 
1 1 1    4    2   24 o  397.213   5.3919  426.518   11.571  432.707   16.585  420.649   16.150  400.018   7.6726  394.409   7.5779 5.609161 10.78388 
1 1 1    4    2   25 o  571.649   7.2228  884.067   22.309  890.650   31.822  877.706   31.283  573.738   10.264  569.561   10.165 4.176575 14.44551 
1 1 1    4    2   26 o  349.748   4.9892  330.642   9.4272  333.997   13.497  327.445   13.173  351.479   7.1062  348.017   7.0050 3.461365 9.978377 
1 1 1    4    2   27 o  422.706   5.6937  483.119   13.005  480.596   18.323  485.681   18.462  421.594   8.0427  423.818   8.0615 -2.223633 11.38743 
1 1 1    4    2   28 o  560.715   7.1266  849.842   21.583  866.920   31.096  833.966   29.981  566.142   10.165  555.287   9.9918 10.85443 14.25329 
1 1 1    4    2   29 o  281.305   4.5662  213.689   6.9368  219.632   10.024  208.228   9.6097  285.054   6.5075  277.557   6.4072 7.497345 9.132330 
1 1 1    4    2   30 o  1531.50   18.276  6373.93  151.234  6335.21  212.475  6413.70  215.308  1526.82   25.753  1536.19   25.938 -9.364990 36.55114 
1 1 1    4    2   31 o  865.972   14.893  2032.88   69.684  2052.03   99.445  2014.41   97.675  869.964   21.154  861.980   20.970 7.983643 29.78644 
1 1 1    4    2   32 o  810.526   14.010  1779.58   61.334  1813.74   88.303  1747.75   85.257  818.014   19.977  803.037   19.647 14.97705 28.01955 
1 1 1    4    2   33 o  572.354   10.304  885.499   31.837  914.189   46.262  859.685   43.882  581.138   14.732  563.571   14.409 17.56708 20.60726 
1 1 1    4    2   34 o  1361.85   23.163  5057.59  170.431  5009.01  238.711  5108.11  243.409  1355.25   32.596  1368.46   32.917 -13.21472 46.32518 
1 1 1    4    2   35 o  523.189   9.7474  740.878   27.557  734.459   38.971  747.297   38.971  520.918   13.845  525.459   13.725 -4.540955 19.49489 
1 1 1    4    2   36 o  915.503   13.660  2284.05   64.073  2240.09  109.128  2307.17   79.152  908.161   22.237  922.846   15.872 -14.68494 27.32099 
1 1 1    4    2   37 o  491.334   8.0088  655.012   20.152  647.748   34.433  658.797   24.853  489.133   13.028  493.535   9.3192 -4.401978 16.01769 
1 1 1    4    2   38 o  565.869   14.617  867.342   44.694  867.342   44.694   0.0000   0.0000  565.869   14.617  ?   ?       ?      ? 
1 1 1    4    2   39 o  689.465   10.633  1285.78   37.282  1281.00   45.544  1295.49   64.908  687.874   12.253  691.055   17.382 -3.181091 21.26640 
1 1 1    4    2   40 o  741.825   9.2588  1490.22   37.112  1499.08   52.828  1481.59   52.148  743.994   13.140  739.655   13.047 4.339050 18.51761 
1 1 1    4    2   41 o  140.516   7.0130   53.497   5.3165   52.104   7.6772   54.781   7.3696  138.748   10.240  142.283   9.5852 -3.535339 14.02595 
1 1 1    4    2   42 o  380.566   5.7962  391.728   11.917  394.150   17.062  389.421   16.652  381.710   8.2718  379.421   8.1218 2.288666 11.59249 
1 1 1    4    2   43 o  364.121   5.7165  358.726   11.246  359.365   16.041  358.108   15.772  364.436   8.1455  363.806   8.0228 0.6300964 11.43301 
1 1 1    4    2   44 o  686.715   8.6676  1278.27   32.144  1304.58   46.425  1254.05   44.551  693.467   12.389  679.963   12.125 13.50366 17.33514 
1 1 1    4    2   45 o  106.248   8.5821   30.845   4.8924   27.888   7.1119   33.501   6.7409  101.348   12.986  111.147   11.224 -9.799301 17.16412 
1 1 1    4    2   46 o  167.530   6.1101   76.453   5.4980   70.960   8.0401   81.278   7.5350  161.816   9.1950  173.243   8.0490 -11.42647 12.22026 
1 1 1    4    2   47 o  308.104   5.3775  257.138   8.9505  255.737   12.791  258.483   12.529  307.271   7.7034  308.936   7.5053 -1.664764 10.75507 
1 1 1    4    2   48 o  156.538   6.1697   66.309   5.2122   71.022   7.5589   62.036   7.1968  161.835   8.6437  151.241   8.8060 10.59419 12.33935 
1 1 1    4    2   49 f  151.260   6.2486   62.055   5.1029   63.393   7.4005   60.841   7.0458  152.803   8.9628  149.716   8.7091 3.087219 12.49719 
1 1 1    4    2   50 o  272.868   5.2390  201.759   7.7222  206.635   11.099  197.185   10.751  276.057   7.4405  269.679   7.3775 6.377747 10.47803 
1 1 1    4    2   51 o  303.808   5.3133  250.342   8.7186  253.778   12.555  247.142   12.116  305.806   7.5979  301.810   7.4294 3.995850 10.62655 
1 1 1    4    2   52 f   54.252   12.261   7.2127   4.2646   12.189   6.4389   3.3242   5.6921   65.163   17.788   43.341   16.880 21.82167 24.52216 
1 1 1    4    2   53 o  450.539   6.3637  552.815   15.489  556.124   22.167  549.659   21.652  451.823   9.0793  449.254   8.9192 2.569336 12.72741 
1 1 1    4    2   54 o  350.046   5.5945  333.297   10.578  339.537   15.222  327.471   14.710  353.192   7.9758  346.901   7.8473 6.291534 11.18904 
1 1 1    4    2   55 o  218.807   5.4046  130.051   6.3795  136.035   9.3596  124.858   8.7184  223.472   7.7508  214.143   7.5344 9.329605 10.80930 
1 1 1    4    2   56 o  253.760   5.3516  175.392   7.3362  179.041   10.529  171.949   10.228  256.314   7.6017  251.206   7.5347 5.108826 10.70317 
1 1 1    4    2   57 o  220.304   5.5102  132.539   6.5559  132.847   9.4366  132.252   9.1147  220.512   7.9194  220.095   7.6638 0.4172363 11.02049 
1 1 1    4    2   58 o  229.174   5.4619  143.648   6.7585  137.984   9.5977  149.220   9.5188  224.627   7.9071  233.722   7.5369 -9.094864 10.92375 
1 1 1    4    2   59 o   88.715   10.735   22.975   4.9496   19.903   7.3038   25.584   6.7308   81.908   17.056   95.522   13.040 -13.61398 21.46986 
1 1 1    4    2   60 o   80.427   15.150   19.928   6.7852   15.700   9.3568   24.617   9.8540   71.478   22.037   89.376   20.795 -17.89799 30.29948 
1 1 1    4    2   61 o  259.307   7.8187  187.522   10.945  184.189   15.094  191.216   15.893  257.021   10.868  261.593   11.243 -4.572510 15.63732 
1 1 1    4    2   62 o  117.726   14.075   43.446   8.3195   24.955   11.570   63.243   11.971   87.324   23.847  148.128   14.956 -60.80438 28.14909 
1 1 1    4    2   63 o  132.524   12.106   52.154   8.5855   47.072   12.553   56.622   11.769  125.473   18.514  139.575   15.604 -14.10152 24.21234 
1 1 1    4    2   64 o  175.555   8.5874   87.849   7.5782   86.734   13.337   88.380   9.2093  173.092   14.259  178.018   9.5736 -4.925461 17.17478 
1 1 1    4    2   65 o   81.215   12.488   20.077   5.5542   30.684   8.4295   11.939   7.3836  101.445   15.377   60.984   19.681 40.46123 24.97609 
1 1 1    4    2   66 o   33.900   11.426  -8.2685   5.7664  -8.4070   8.5711  -8.1540   7.7939   34.817   16.576   32.984   15.732 1.833149 22.85252 
1 1 1    4    2   67 o   98.791   11.850   30.303   6.1559   28.271   8.8820   32.183   8.5396   94.114   18.122  103.468   15.274 -9.353905 23.70031 
1 1 1    4    2   68 o  119.269   9.9093   42.810   6.3536   49.100   9.3400   37.393   8.6683  127.818   13.523  110.721   14.488 17.09728 19.81863 
1 1 1    4    2   69 o  129.892   9.2947   50.837   6.5085   54.598   9.6123   47.654   8.8445  134.189   13.256  125.595   13.032 8.593575 18.58932 
1 1 1    4    3    0 o  426.646   5.5894  491.917   12.886  492.528   18.240  491.308   18.207  426.910   7.9069  426.381   7.9024 0.5291748 11.17887 
1 1 1    4    3    1 o  1049.73   12.570  2980.08   71.293  2950.17   99.809  3011.24  101.869  1044.36   17.686  1055.10   17.867 -10.74316 25.14048 
1 1 1    4    3    4 f  829.264   11.681  1828.53   44.313  1919.14   92.703  1801.69   50.450  842.130   20.372  816.398   11.436 25.73224 23.36216 
1 1 1    4    3    5 o  1695.38   28.447  7792.93  260.606   0.0000   0.0000  7792.93  260.606  ?   ?   1695.38   28.447      ?      ? 
1 1 1    4    3    8 o  1453.99   17.284  5726.18  135.791  5685.45  190.634  5768.13  193.472  1448.76   24.351  1459.23   24.536 -10.46863 34.56876 
1 1 1    4    3    9 o  243.073   3.8150  159.569   5.0093  163.049   7.1953  156.296   6.9782  245.644   5.4207  240.503   5.3695 5.141052 7.629918 
1 1 1    4    3   10 o  1122.37   13.407  3407.00   81.295  3363.77  113.460  3452.59  116.538  1115.07   18.830  1129.68   19.091 -14.60547 26.81483 
1 1 1    4    3   11 o  1721.85   20.421  8030.26  189.907  7890.74  263.522  8181.00  273.916  1706.36   28.580  1737.35   29.177 -30.98962 40.84253 
1 1 1    4    3   12 o  352.459   4.8329  335.698   9.2046  334.226   12.987  337.184   13.047  351.682   6.8341  353.235   6.8354 -1.552734 9.665843 
1 1 1    4    3   13 o  146.897   3.3654   58.304   2.6705   56.265   3.7569   60.386   3.7967  144.301   4.8181  149.492   4.7001 -5.191345 6.730863 
1 1 1    4    3   14 o  940.712   11.318  2394.03   57.533  2391.13   81.275  2396.94   81.452  940.142   15.998  941.282   16.014 -1.140259 22.63599 
1 1 1    4    3   15 o  995.660   11.957  2680.93   64.299  2729.03   92.623  2636.19   89.332  1004.26   17.068  987.058   16.749 17.20361 23.91305 
1 1 1    4    3   16 o  431.271   5.6644  502.719   13.201  502.424   18.668  503.014   18.669  431.144   8.0130  431.397   8.0084 -0.2529297 11.32883 
1 1 1    4    3   17 o  206.084   3.7171  114.453   4.1336  121.585   6.0379  108.162   5.6708  212.110   5.2679  200.059   5.2457 12.05113 7.434256 
1 1 1    4    3   18 o  402.810   5.4076  438.650   11.770  439.887   16.713  437.432   16.579  403.373   7.6676  402.247   7.6274 1.126068 10.81527 
1 1 1    4    3   19 o  439.039   5.7716  521.112   13.691  525.497   19.527  516.871   19.201  440.854   8.1971  437.224   8.1272 3.630249 11.54312 
1 1 1    4    3   20 o  627.869   7.8105  1066.57   26.498  1059.86   37.270  1073.43   37.682  625.874   11.020  629.864   11.071 -3.990112 15.62103 
1 1 1    4    3   21 o  209.477   3.8793  118.564   4.3904  120.908   6.2776  116.319   6.1425  211.504   5.4927  207.451   5.4795 4.052795 7.758534 
1 1 1    4    3   22 o  893.295   10.824  2162.53   52.248  2150.86   73.490  2174.45   74.296  890.867   15.266  895.723   15.350 -4.855835 21.64880 
1 1 1    4    3   23 o  728.003   8.9470  1435.23   35.196  1437.77   49.875  1432.71   49.676  728.642   12.667  727.363   12.639 1.278198 17.89408 
1 1 1    4    3   24 o  879.330   10.677  2095.65   50.725  2116.69   72.496  2075.46   71.000  883.639   15.183  875.021   15.016 8.617676 21.35405 
1 1 1    4    3   25 o  682.000   8.4389  1259.07   31.100  1259.06   44.013  1259.08   43.951  681.996   11.943  682.004   11.926 -0.7568359E-02 16.87778 
1 1 1    4    3   26 o  535.735   6.8507  776.291   19.830  782.902   28.297  769.912   27.797  537.973   9.7342  533.497   9.6424 4.475403 13.70145 
1 1 1    4    3   27 o  896.643   10.878  2177.95   52.706  2174.22   74.435  2181.70   74.640  895.874   15.376  897.412   15.392 -1.537415 21.75619 
1 1 1    4    3   28 o  206.844   4.1745  115.661   4.6649  113.196   6.6114  118.106   6.5830  204.647   5.9786  209.040   5.8278 -4.392944 8.349050 
1 1 1    4    3   29 o  353.781   5.1283  338.320   9.8025  339.254   13.988  337.418   13.741  354.260   7.3072  353.302   7.1974 0.9571533 10.25662 
1 1 1    4    3   30 o  481.754   8.8802  627.702   23.111  619.594   32.250  636.261   33.137  478.561   12.471  484.946   12.645 -6.384766 17.76031 
1 1 1    4    3   31 o  567.908   10.172  872.388   31.206  888.513   44.814  857.207   43.481  572.995   14.474  562.821   14.297 10.17407 20.34422 
1 1 1    4    3   32 o  325.572   6.0474  286.857   10.126  287.535   12.536  285.586   17.179  326.156   7.1127  324.988   9.7822 1.168060 12.09477 
1 1 1    4    3   33 o  397.713   6.9542  423.389   13.931  415.976   16.811  439.640   24.890  392.271   7.9310  403.155   11.425 -10.88425 13.90833 
1 1 1    4    3   34 o  700.552   12.408  1329.58   46.970  1321.62   66.280  1337.61   66.571  698.443   17.562  702.659   17.533 -4.215820 24.81553 
1 1 1    4    3   35 o  371.485   7.8994  373.322   15.856  369.144   22.453  377.477   22.394  369.408   11.248  373.561   11.094 -4.152527 15.79881 
1 1 1    4    3   36 o  315.878   7.5179  269.718   12.805  272.973   18.784  266.892   17.501  317.646   10.943  314.111   10.311 3.534668 15.03572 
1 1 1    4    3   37 o  266.959   5.0738  192.728   7.3155  190.749   10.483  194.607   10.214  265.620   7.3037  268.299   7.0448 -2.679199 10.14755 
1 1 1    4    3   38 o  902.270   13.574  2180.24   61.280  2286.04  111.063  2133.94   73.476  917.077   22.412  887.463   15.322 29.61481 27.14856 
1 1 1    4    3   39 o  559.223   7.3529  846.203   22.219  842.312   31.458  850.078   31.387  557.937   10.434  560.509   10.363 -2.571838 14.70589 
1 1 1    4    3   40 o  705.515   10.884  1344.34   39.004  1334.90   47.556  1363.74   68.175  702.135   12.534  708.895   17.797 -6.760254 21.76808 
1 1 1    4    3   41 o  596.837   7.7240  963.694   24.895  984.191   35.981  944.870   34.481  602.906   11.044  590.767   10.801 12.13940 15.44802 
1 1 1    4    3   42 o  312.108   5.5139  262.717   9.2813  275.406   13.655  251.822   12.653  319.087   7.9196  305.129   7.6743 13.95734 11.02788 
1 1 1    4    3   43 o  551.954   7.2684  824.902   21.672  835.228   31.094  815.146   30.223  555.301   10.362  548.607   10.195 6.694153 14.53684 
1 1 1    4    3   44 o  393.393   5.9026  418.950   12.546  416.308   17.859  421.525   17.628  392.161   8.4275  394.625   8.2668 -2.463684 11.80520 
1 1 1    4    3   45 o  519.885   6.9641  732.128   19.557  740.934   28.116  723.875   27.220  522.897   9.9507  516.874   9.7457 6.023376 13.92819 
1 1 1    4    3   46 o   80.086   11.056   18.554   4.6154   12.301   6.7437   24.063   6.3303   66.070   18.274   94.102   12.449 -28.03212 22.11151 
1 1 1    4    3   47 o  437.912   6.2032  519.592   14.671  527.370   21.160  512.392   20.359  441.048   8.8785  434.776   8.6656 6.272888 12.40644 
1 1 1    4    3   48 o  348.714   5.5580  329.204   10.463  337.648   15.198  321.596   14.426  352.945   7.9687  344.483   7.7500 8.462341 11.11592 
1 1 1    4    3   49 o  599.421   7.7813  977.768   25.196  992.133   36.180  964.241   35.110  603.658   11.092  595.183   10.917 8.474792 15.56258 
1 1 1    4    3   50 o  224.694   5.3530  136.938   6.4945  136.472   9.3598  137.370   9.0190  224.308   7.7220  225.080   7.4154 -0.7713013 10.70596 
1 1 1    4    3   51 o  424.830   6.1201  490.525   14.049  486.002   19.875  495.041   19.862  422.860   8.6981  426.800   8.6120 -3.939270 12.24019 
1 1 1    4    3   52 o  152.483   6.2257   63.147   5.1212   65.388   7.5076   61.197   7.0037  154.988   8.9642  149.978   8.6419 5.009979 12.45149 
1 1 1    4    3   53 o  282.078   5.3044  215.599   8.0650  224.535   11.919  208.050   10.954  287.418   7.6740  276.739   7.3250 10.67831 10.60875 
1 1 1    4    3   54 o   65.494   12.452   12.435   4.5156   11.200   6.3982   13.661   6.3739   62.406   17.988   68.582   17.223 -6.175991 24.90365 
1 1 1    4    3   55 o  262.683   7.7388  187.976   10.985  187.976   10.985   0.0000   0.0000  262.683   7.7388  ?   ?       ?      ? 
1 1 1    4    3   56 o  337.676   5.6021  310.943   10.218  314.192   14.696  307.901   14.216  339.346   8.0141  336.006   7.8299 3.340088 11.20415 
1 1 1    4    3   57 o  200.593   5.6241  109.866   6.0913  112.309   8.8270  107.645   8.4165  202.690   8.0592  198.497   7.8468 4.193130 11.24822 
1 1 1    4    3   58 o  211.269   5.5967  121.960   6.3844  125.449   9.2519  118.788   8.8213  214.124   7.9961  208.414   7.8328 5.709625 11.19335 
1 1 1    4    3   59 o  328.944   7.8684  300.511   13.981  307.207   19.684  293.694   19.862  332.786   10.946  325.103   11.306 7.683960 15.73686 
1 1 1    4    3   60 o   99.280   13.055   29.796   6.7448   37.027   9.4473   22.279   9.6326  113.815   15.361   84.745   21.113 29.07043 26.10950 
1 1 1    4    3   61 f  136.269   9.0347   51.898   6.4508   50.309   8.1331   54.595   10.592  134.154   11.219  138.384   14.164 -4.229935 18.06944 
1 1 1    4    3   62 o  215.959   7.2907  128.047   8.1158  123.595   9.9988  136.644   13.894  211.472   8.7500  220.445   11.664 -8.973145 14.58133 
1 1 1    4    3   63 o   62.029   16.037   8.8231   7.5801   19.367   11.424   0.5300   10.132   76.647   24.454   47.410   20.754 29.23607 32.07399 
1 1 1    4    3   64 o  255.027   8.8008  186.588   12.032  169.437   17.542  201.824   16.534  242.869   13.367  267.186   11.452 -24.31737 17.60151 
1 1 1    4    3   65 o   68.117   13.294   15.075   5.6808   5.9863   8.2400   23.307   7.8425   50.118   20.061   86.115   17.451 -35.99665 26.58891 
1 1 1    4    3   66 o  260.666   8.6019  189.160   12.116   0.0000   0.0000  189.160   12.116  ?   ?   260.666   8.6019      ?      ? 
1 1 1    4    3   67 o   40.439   12.774  -0.4240   5.7165  -1.9157   8.4200   0.8515   7.7860   39.540   17.987   41.338   18.142 -1.798172 25.54713 
1 1 1    4    3   68 o  153.537   8.1967   69.371   6.7079   58.366   9.6259   79.761   9.3527  140.472   12.681  166.601   10.389 -26.12909 16.39343 
1 1 1    4    3   69 o   81.496   13.195   23.774   6.2455   12.118   8.9083   35.041   8.7587   57.718   21.433  105.273   15.397 -47.55440 26.38985 
1 1 1    4    4    4 o  444.172   7.0397  533.276   15.972  533.333   27.518  533.248   19.614  444.156   11.465  444.188   8.1716 -0.3219604E-01 14.07948 
1 1 1    4    4    5 f  465.389   12.043  585.586   30.287  585.586   30.287   0.0000   0.0000  465.389   12.043  ?   ?       ?      ? 
1 1 1    4    4    7 o  1906.85   22.610  9864.34  232.965  9907.56  331.099  9821.96  327.851  1910.97   32.064  1902.74   31.887 8.229858 45.22003 
1 1 1    4    4    8 o  650.822   8.0318  1144.73   28.242  1157.43   40.384  1132.57   39.510  654.353   11.421  647.291   11.296 7.061707 16.06358 
1 1 1    4    4    9 o  1254.91   14.957  4260.22  101.394  4322.04  145.529  4201.91  141.348  1263.73   21.311  1246.08   20.992 17.65527 29.91374 
1 1 1    4    4   10 o  1019.78   17.300  2812.95   95.335   0.0000   0.0000  2812.95   95.335  ?   ?   1019.78   17.300      ?      ? 
1 1 1    4    4   11 o  475.474   8.6514  610.999   22.228   0.0000   0.0000  610.999   22.228  ?   ?   475.474   8.6514      ?      ? 
1 1 1    4    4   12 o  455.029   8.3818  559.594   20.609   0.0000   0.0000  559.594   20.609  ?   ?   455.029   8.3818      ?      ? 
1 1 1    4    4   13 o  735.560   8.9895  1462.16   35.715  1436.15   49.627  1490.10   51.438  728.784   12.602  742.336   12.823 -13.55304 17.97892 
1 1 1    4    4   14 o  548.792   6.9191  814.062   20.517  808.537   28.844  819.721   29.191  546.908   9.7601  550.676   9.8100 -3.767944 13.83819 
1 1 1    4    4   15 o  627.011   7.7785  1062.46   26.346  1045.04   36.701  1080.99   37.844  621.713   10.924  632.309   11.076 -10.59631 15.55694 
1 1 1    4    4   16 o  976.608   11.757  2582.36   62.045  2583.64   87.861  2581.08   87.630  976.847   16.645  976.369   16.609 0.4779663 23.51434 
1 1 1    4    4   17 o  392.187   5.3007  415.795   11.233  413.267   15.836  418.354   15.937  390.987   7.4955  393.387   7.4971 -2.399139 10.60132 
1 1 1    4    4   18 o  684.263   8.4371  1266.99   31.196  1265.19   44.096  1268.79   44.141  683.778   11.934  684.748   11.929 -0.9702759 16.87422 
1 1 1    4    4   19 o  1161.90   13.928  3663.68   87.449  3661.28  123.629  3666.08  123.714  1161.52   19.697  1162.28   19.698 -0.7606201 27.85651 
1 1 1    4    4   20 o  329.585   4.7451  293.495   8.4483  287.428   11.772  299.939   12.132  326.076   6.6809  333.095   6.7401 -7.019409 9.490178 
1 1 1    4    4   21 o  613.490   7.6696  1018.04   25.418  1033.00   36.485  1003.93   35.430  617.860   10.928  609.120   10.764 8.740295 15.33916 
1 1 1    4    4   22 o  325.886   4.7617  286.910   8.3821  278.552   11.672  295.812   12.046  320.988   6.7290  330.783   6.7390 -9.794586 9.523322 
1 1 1    4    4   23 o  134.111   4.0925   48.619   2.9656   49.294   4.2003   47.949   4.1879  135.039   5.7561  133.184   5.8191 1.855850 8.185015 
1 1 1    4    4   24 f  489.466   6.3585  647.706   16.812  636.403   23.412  659.741   24.157  485.063   8.9321  493.869   9.0520 -8.806488 12.71694 
1 1 1    4    4   25 o  161.298   4.0005   70.323   3.4868   70.463   4.9297   70.183   4.9326  161.458   5.6503  161.137   5.6649 0.3204956 8.001066 
1 1 1    4    4   26 o  1003.34   12.107  2729.69   65.643  2728.66   92.821  2730.71   92.846  1003.15   17.123  1003.53   17.122 -0.3771973 24.21496 
1 1 1    4    4   27 o  264.645   4.4224  189.301   6.3242  187.745   8.9140  190.877   8.9738  263.551   6.2592  265.740   6.2493 -2.189697 8.844821 
1 1 1    4    4   28 o  286.783   5.4440  223.233   8.0942  219.167   13.445  225.545   10.137  284.701   8.7392  288.865   6.4944 -4.163544 10.88809 
1 1 1    4    4   29 o  324.960   6.7313  284.350   11.792  303.153   17.426  268.468   16.016  334.824   9.6315  315.095   9.4062 19.72961 13.46264 
1 1 1    4    4   30 o  838.462   14.436  1905.85   65.406  1908.78   92.571  1902.93   92.424  839.106   20.416  837.818   20.415 1.287903 28.87179 
1 1 1    4    4   31 o  1160.87   17.020  3674.09  101.464  3711.74  125.675  3603.60  171.954  1170.28   19.873  1151.46   27.636 18.82593 34.03975 
1 1 1    4    4   32 o  694.982   8.6719  1305.62   32.545  1279.66   45.050  1333.96   47.068  687.772   12.122  702.192   12.405 -14.42029 17.34383 
1 1 1    4    4   33 o  360.310   6.5560  352.606   12.061  355.914   14.841  346.171   20.699  362.856   7.5692  357.765   10.707 5.090759 13.11209 
1 1 1    4    4   34 f  454.582   8.8768  558.922   21.793  564.414   31.419  553.829   30.253  456.725   12.731  452.440   12.374 4.285034 17.75368 
1 1 1    4    4   35 o  494.731   9.4534  662.205   25.258  670.270   36.419  654.730   35.061  497.621   13.544  491.841   13.192 5.779541 18.90674 
1 1 1    4    4   36 o  1308.95   22.378  4681.40  158.230  4752.25  227.375  4614.86  220.333  1318.42   31.915  1299.48   31.378 18.94238 44.75666 
1 1 1    4    4   37 o  454.380   6.2821  556.982   15.401  534.416   21.081  582.812   22.554  444.539   8.7760  464.221   8.9912 -19.68179 12.56424 
1 1 1    4    4   38 o  495.365   6.7201  663.418   17.980  673.596   25.902  653.953   24.978  499.024   9.6055  491.706   9.4008 7.318237 13.44027 
1 1 1    4    4   39 o  1042.22   15.507  2943.08   81.927  2986.49  143.711  2922.19   99.718  1046.71   25.408  1037.72   17.783 8.992188 31.01311 
1 1 1    4    4   40 o  702.915   10.796  1343.40   38.949  1352.19   48.162  1326.80   66.217  706.622   12.613  699.208   17.526 7.414307 21.59271 
1 1 1    4    4   41 o  284.171   6.5531  218.778   9.6164  219.404   11.963  217.635   16.168  284.811   7.7728  283.530   10.553 1.280487 13.10624 
1 1 1    4    4   42 o  680.210   8.5999  1253.60   31.610  1248.28   44.604  1258.98   44.802  678.759   12.161  681.661   12.163 -2.902039 17.19980 
1 1 1    4    4   43 o  1045.07   12.718  2972.86   71.784  3028.72  103.534  2921.15   99.616  1054.43   18.171  1035.71   17.799 18.72192 25.43620 
1 1 1    4    4   44 o  426.985   6.1510  493.395   14.185  500.042   20.442  487.223   19.699  429.747   8.8030  424.224   8.5934 5.522980 12.30197 
1 1 1    4    4   45 o  621.088   7.9946  1046.36   26.830  1038.55   37.765  1054.33   38.125  618.749   11.295  623.427   11.317 -4.678101 15.98922 
1 1 1    4    4   46 o  377.382   5.7583  385.783   11.741  378.167   16.566  393.471   16.644  373.632   8.2049  381.133   8.0815 -7.500427 11.51657 
1 1 1    4    4   47 o  284.971   5.2946  219.550   8.1429  228.046   11.884  212.030   11.180  290.150   7.5795  279.793   7.3946 10.35706 10.58915 
1 1 1    4    4   48 o  665.234   8.4766  1204.73   30.469  1211.11   43.398  1198.53   42.787  666.947   12.042  663.520   11.934 3.426575 16.95328 
1 1 1    4    4   49 o   79.377   10.962   17.458   4.5802   24.637   6.8233   11.571   6.1793   94.955   13.298   63.798   17.430 31.15712 21.92350 
1 1 1    4    4   50 o  296.166   5.3070  237.376   8.4806  247.125   12.411  228.837   11.615  301.842   7.6095  290.490   7.3994 11.35254 10.61393 
1 1 1    4    4   51 o  215.811   5.3738  126.406   6.2612  127.203   9.0599  125.677   8.6628  216.442   7.7463  215.180   7.4502 1.261765 10.74761 
1 1 1    4    4   52 o  277.095   5.2968  208.505   7.9252  209.898   11.446  207.222   10.984  277.958   7.6205  276.232   7.3588 1.726166 10.59363 
1 1 1    4    4   53 o  139.094   6.7552   53.256   5.0215   44.940   7.1804   61.215   7.0251  128.253   10.361  149.934   8.6708 -21.68149 13.51040 
1 1 1    4    4   54 o  228.672   5.3605  142.133   6.6171  146.019   9.6211  138.644   9.1154  231.611   7.6874  225.733   7.4730 5.878265 10.72106 
1 1 1    4    4   55 o  225.752   5.4513  138.777   6.6457  140.742   9.5976  136.967   9.2113  227.261   7.8154  224.244   7.6017 3.017212 10.90257 
1 1 1    4    4   56 o  257.345   5.3647  180.700   7.4544  174.516   10.616  186.713   10.469  252.943   7.7673  261.747   7.4020 -8.803268 10.72941 
1 1 1    4    4   57 o  190.161   5.7547   98.906   5.9113   98.568   8.4648   99.228   8.2585  189.811   8.2529  190.511   8.0222 -0.6999054 11.50941 
1 1 1    4    4   58 o  254.126   7.4468  177.739   10.203  167.297   13.878  190.023   15.052  246.088   10.436  262.165   10.625 -16.07674 14.89355 
1 1 1    4    4   59 o  180.128   8.1097   90.401   7.8720   97.815   11.128   82.973   11.138  187.755   10.968  172.501   11.948 15.25330 16.21931 
1 1 1    4    4   60 o  208.633   6.8892  121.478   7.5645  125.545   9.7601  115.360   11.971  213.646   8.4542  203.619   10.880 10.02690 13.77841 
1 1 1    4    4   61 o  219.605   5.7729  132.586   6.8418  123.542   9.5174  142.259   9.8423  211.787   8.3163  227.422   8.0090 -15.63493 11.54573 
1 1 1    4    4   62 o  107.409   9.3760   33.035   5.3874   28.292   7.6914   37.604   7.5485   99.335   14.329  115.482   12.096 -16.14709 18.75207 
1 1 1    4    4   63 o  156.383   10.486   71.062   8.7958   69.617   13.154   72.230   11.829  154.232   15.783  158.534   13.809 -4.301834 20.97117 
1 1 1    4    4   64 o  159.743   10.802   72.497   9.1777   92.297   14.425   59.032   11.896  177.722   15.021  141.764   15.529 35.95808 21.60483 
1 1 1    4    4   65 o  129.574   8.7419   48.189   6.0978   51.857   9.1204   45.224   8.1999  133.837   12.611  125.311   12.110 8.526367 17.48381 
1 1 1    4    4   66 o  269.599   6.0963  202.353   8.8770  201.019   12.724  203.618   12.391  268.598   8.7666  270.599   8.4738 -2.000244 12.19256 
1 1 1    4    4   67 o   57.041   14.682   10.899   5.8514   11.595   8.6037   10.300   7.9815   58.285   21.159   55.796   20.360 2.489216 29.36362 
1 1 1    4    4   68 o  223.773   6.4273  141.857   7.7576  139.210   11.245  144.261   10.716  221.428   9.3980  226.118   8.7701 -4.689651 12.85450 
1 1 1    4    4   69 f  137.960   8.7515   57.112   6.5159   60.784   9.4844   53.830   8.9671  142.186   12.344  133.735   12.409 8.451111 17.50293 
1 1 1    4    5    4 o  1060.90   17.969  3045.04  103.009   0.0000   0.0000  3045.04  103.009  ?   ?   1060.90   17.969      ?      ? 
1 1 1    4    5    5 o  1621.69   23.549  7166.97  195.880  7038.29  332.932  7235.10  242.244  1609.39   38.283  1634.01   27.435 -24.61975 47.09887 
1 1 1    4    5    6 o  1820.84   30.544  8989.12  300.525   0.0000   0.0000  8989.12  300.525  ?   ?   1820.84   30.544      ?      ? 
1 1 1    4    5    9 o  445.378   5.8659  535.956   14.115  541.985   20.203  530.208   19.727  447.823   8.3489  442.932   8.2421 4.890350 11.73186 
1 1 1    4    5   10 o  676.205   8.3374  1236.04   30.463  1243.87   43.386  1228.42   42.782  678.317   11.837  674.093   11.745 4.224915 16.67477 
1 1 1    4    5   11 o  388.396   7.4496  407.681   15.635   0.0000   0.0000  407.681   15.635  ?   ?   388.396   7.4496      ?      ? 
1 1 1    4    5   12 o  832.535   10.115  1874.58   45.505  1879.20   64.575  1870.02   64.135  833.553   14.337  831.517   14.274 2.035217 20.23060 
1 1 1    4    5   13 o  268.610   4.2011  194.894   6.0955  197.813   8.7638  192.159   8.4836  270.556   5.9944  266.663   5.8875 3.893982 8.402127 
1 1 1    4    5   14 o  122.773   3.7485   40.686   2.4846   41.747   3.6069   39.729   3.4274  124.293   5.3703  121.252   5.2310 3.041519 7.496914 
1 1 1    4    5   15 o  457.376   5.9758  565.502   14.769  563.179   20.842  567.846   20.932  456.433   8.4503  458.320   8.4517 -1.887115 11.95150 
1 1 1    4    5   16 o  709.990   8.7301  1363.03   33.475  1335.74   46.419  1392.61   48.320  702.599   12.227  717.381   12.465 -14.78180 17.46023 
1 1 1    4    5   17 o  987.741   11.900  2643.98   63.517  2633.81   89.508  2654.29   90.148  985.834   16.802  989.649   16.857 -3.814941 23.80089 
1 1 1    4    5   18 o  358.640   7.1077  347.716   13.775   0.0000   0.0000  347.716   13.775  ?   ?   358.640   7.1077      ?      ? 
1 1 1    4    5   19 o  209.743   3.9251  118.896   4.4482  119.381   6.3437  118.427   6.2389  210.163   5.5860  209.323   5.5158 0.8406372 7.850253 
1 1 1    4    5   20 o  695.840   8.5876  1310.61   32.290  1306.50   45.541  1314.78   45.789  694.742   12.131  696.937   12.159 -2.195435 17.17529 
1 1 1    4    5   21 o  577.291   7.2846  901.704   22.724  902.710   32.179  900.704   32.095  577.612   10.310  576.971   10.294 0.6406250 14.56913 
1 1 1    4    5   22 o  600.980   7.5479  977.307   24.509  967.194   34.352  987.792   34.978  597.818   10.634  604.142   10.715 -6.324768 15.09580 
1 1 1    4    5   23 o  531.134   6.8155  763.210   19.561  762.089   27.701  764.326   27.626  530.743   9.6586  531.524   9.6184 -0.7811890 13.63093 
1 1 1    4    5   24 f  584.712   7.3878  925.035   23.342  920.637   32.895  929.495   33.127  583.313   10.436  586.111   10.460 -2.797729 14.77557 
1 1 1    4    5   25 o  559.715   7.1266  847.532   21.554  846.852   30.490  848.211   30.475  559.490   10.085  559.940   10.072 -0.4495850 14.25315 
1 1 1    4    5   26 o  430.619   5.8111  501.008   13.516  489.200   18.770  513.721   19.477  425.356   8.1664  435.882   8.2694 -10.52600 11.62212 
1 1 1    4    5   27 o  1089.09   18.540  3227.42  109.109  3236.49  154.763  3218.47  153.849  1090.59   26.261  1087.58   26.179 3.015625 37.08071 
1 1 1    4    5   28 o  393.063   7.5617  417.822   16.059  422.748   22.910  413.063   22.518  395.339   10.724  390.787   10.663 4.552155 15.12342 
1 1 1    4    5   29 o  2036.97   34.688 11441.29  381.777 11360.36  535.776 11524.77  544.149  2029.82   48.847  2044.11   49.264 -14.28357 69.37518 
1 1 1    4    5   30 o  404.223   5.6593  441.413   12.356  450.974   17.790  432.500   17.176  408.448   8.0601  399.998   7.9464 8.450806 11.31865 
1 1 1    4    5   31 o  520.188   6.7945  731.343   19.092  743.032   27.434  720.366   26.587  524.213   9.6850  516.162   9.5323 8.051147 13.58910 
1 1 1    4    5   32 o  743.955   11.358  1482.48   42.349  1456.02   50.884  1542.12   76.389  733.572   12.837  754.337   18.740 -20.76538 22.71512 
1 1 1    4    5   33 o  185.913   6.8534   93.424   6.8849   0.0000   0.0000   93.424   6.8849  ?   ?   185.913   6.8534      ?      ? 
1 1 1    4    5   34 o  108.039   11.537   32.672   6.4348   27.950   9.6261   36.486   8.6521   99.973   18.500  116.106   13.791 -16.13260 23.07460 
1 1 1    4    5   35 o  463.443   9.1304  581.093   22.861  566.892   31.973  595.946   32.698  457.651   12.929  469.234   12.896 -11.58325 18.26087 
1 1 1    4    5   36 o  581.544   10.770  916.102   33.834  924.324   48.542  908.333   47.184  584.065   15.380  579.023   15.080 5.042297 21.53998 
1 1 1    4    5   37 o  672.716   8.4836  1224.79   30.839  1225.01   43.731  1224.58   43.495  672.773   12.029  672.659   11.966 0.1137695 16.96724 
1 1 1    4    5   38 o  254.098   7.4869  174.576   10.280  174.576   10.280   0.0000   0.0000  254.098   7.4869  ?   ?       ?      ? 
1 1 1    4    5   39 o  286.899   6.4359  220.104   9.4996  230.856   16.306  214.579   11.688  292.095   10.331  281.702   7.6781 10.39322 12.87177 
1 1 1    4    5   40 o  949.800   14.202  2448.87   68.595  2466.22  119.363  2440.31   83.819  951.272   23.221  948.327   16.357 2.944946 28.40324 
1 1 1    4    5   41 f  511.321   8.3798  708.495   21.969  709.166   27.095  707.207   37.533  511.880   9.7955  510.762   13.599 1.117706 16.75967 
1 1 1    4    5   42 o  940.643   14.080  2419.68   67.936  2440.36   84.022  2380.63  115.454  947.714   16.407  933.572   22.886 14.14233 28.15965 
1 1 1    4    5   43 f  378.185   5.7883  386.977   11.825  391.496   16.994  382.737   16.463  380.318   8.2693  376.053   8.1017 4.265137 11.57665 
1 1 1    4    5   44 o  442.884   6.2901  531.154   15.053  527.552   21.283  534.760   21.294  441.379   8.9234  444.390   8.8676 -3.011536 12.58017 
1 1 1    4    5   45 o  395.663   5.9244  423.873   12.663  428.154   18.156  419.819   17.671  397.599   8.4504  393.726   8.3056 3.873108 11.84876 
1 1 1    4    5   46 o  370.796   5.7332  371.986   11.473  381.819   16.729  363.254   15.764  375.399   8.2467  366.193   7.9668 9.206055 11.46638 
1 1 1    4    5   47 o  205.594   5.5550  114.572   6.1691  112.753   8.7977  116.331   8.6530  203.979   7.9817  207.210   7.7281 -3.231140 11.10995 
1 1 1    4    5   48 o  276.923   5.3069  207.270   7.9248  216.782   11.672  199.134   10.795  282.785   7.6381  271.062   7.3697 11.72330 10.61377 
1 1 1    4    5   49 o  347.224   5.5660  325.643   10.410  343.843   15.491  310.655   14.057  356.001   8.0525  338.447   7.6862 17.55441 11.13197 
1 1 1    4    5   50 o  126.532   7.2005   43.274   4.9060   47.941   7.2979   39.426   6.6267  132.714   10.176  120.351   10.190 12.36228 14.40100 
1 1 1    4    5   51 o  104.958   8.2997   30.179   4.6918   29.350   6.8630   30.906   6.4285  103.545   12.266  106.371   11.184 -2.826195 16.59930 
1 1 1    4    5   52 o  258.562   5.3313  180.895   7.4290  191.480   11.007  172.040   10.068  265.455   7.6734  251.669   7.4034 13.78613 10.66263 
1 1 1    4    5   53 o  189.952   5.7122   98.385   5.8506   92.562   8.3641  103.965   8.1868  184.383   8.3948  195.521   7.7487 -11.13860 11.42433 
1 1 1    4    5   54 o   67.543   11.307   12.506   4.3934   20.227   6.5393   6.1549   5.9314   85.399   14.171   49.687   17.624 35.71230 22.61465 
1 1 1    4    5   55 o  322.717   5.5297  283.520   9.6302  290.364   14.049  277.454   13.227  326.333   7.9670  319.102   7.6706 7.231110 11.05943 
1 1 1    4    5   56 o  210.102   5.6069  120.666   6.3566  116.885   9.1419  124.206   8.8446  206.842   8.1792  213.363   7.6714 -6.520737 11.21377 
1 1 1    4    5   57 o  113.603   9.4841   35.970   5.6483   36.351   9.1794   35.738   7.1655  113.638   14.949  113.568   11.676 0.6977844E-01 18.96824 
1 1 1    4    5   58 o  181.655   8.0271   91.319   7.8656   98.649   11.495   84.865   10.786  188.516   11.284  174.794   11.420 13.72191 16.05424 
1 1 1    4    5   59 o   66.079   14.792   12.827   6.1170   8.4504   8.6630   17.178   8.6384   57.288   21.163   74.871   20.672 -17.58277 29.58362 
1 1 1    4    5   60 o  147.479   10.019   60.297   7.9842   60.297   7.9842   0.0000   0.0000  147.479   10.019  ?   ?       ?      ? 
1 1 1    4    5   61 o  226.993   5.6828  140.846   6.9437  153.225   10.390  130.857   9.3342  235.884   8.1516  218.103   7.9201 17.78094 11.36556 
1 1 1    4    5   62 o  121.033   8.5178   40.743   5.4629   53.116   8.2023   30.879   7.3234  137.747   11.020  104.320   12.992 33.42696 17.03567 
1 1 1    4    5   63 o  319.206   8.6622  288.872   14.884  297.522   22.156  281.757   20.094  322.968   12.695  315.443   11.788 7.524780 17.32449 
1 1 1    4    5   64 o  151.857   11.319   68.610   9.2216   66.149   13.694   70.653   12.474  148.425   17.074  155.290   14.865 -6.864578 22.63845 
1 1 1    4    5   65 o  179.616   9.3454   92.952   8.0334   95.608   15.443   91.966   9.4063  178.364   16.022  180.867   9.6243 -2.503143 18.69081 
1 1 1    4    5   66 o  245.366   6.2076  167.771   8.2221  168.946   11.915  166.702   11.360  246.026   8.9627  244.705   8.5911 1.320923 12.41521 
1 1 1    4    5   67 o  107.883   11.131   37.495   6.1161   29.805   8.9631   44.196   8.3666   94.285   18.252  121.480   12.745 -27.19533 22.26172 
1 1 1    4    5   68 o  107.704   10.548   35.699   6.0675   31.610   8.8349   39.348   8.3474  100.666   16.242  114.742   13.463 -14.07635 21.09604 
1 1 1    4    6    1 o  564.697   7.1566  861.843   21.837  867.600   31.065  856.220   30.702  566.561   10.147  562.834   10.095 3.726929 14.31323 
1 1 1    4    6    4 o  1599.87   26.865  6933.78  232.249   0.0000   0.0000  6933.78  232.249  ?   ?   1599.87   26.865      ?      ? 
1 1 1    4    6    5 o  1612.94   23.540  7033.90  192.334  7126.12  337.823  6989.66  233.952  1619.61   38.600  1606.28   26.954 13.33875 47.07953 
1 1 1    4    6    6 o  698.738   8.6139  1319.83   32.523  1314.54   45.847  1325.19   46.145  697.329   12.167  700.147   12.197 -2.818237 17.22781 
1 1 1    4    6    9 o  1618.04   19.234  7097.43  168.173  7105.29  238.173  7089.62  237.494  1618.93   27.226  1617.16   27.178 1.776611 38.46896 
1 1 1    4    6   11 o  463.310   6.0872  580.188   15.239  579.962   21.637  580.411   21.467  463.220   8.6440  463.401   8.5731 -0.1804504 12.17440 
1 1 1    4    6   12 o  541.138   6.8876  791.564   20.140  793.292   28.586  789.862   28.379  541.723   9.7652  540.552   9.7157 1.171021 13.77515 
1 1 1    4    6   13 o  373.010   7.2944  376.047   14.703   0.0000   0.0000  376.047   14.703  ?   ?   373.010   7.2944      ?      ? 
1 1 1    4    6   14 o  530.614   6.7767  761.236   19.429  765.107   27.664  757.468   27.294  531.944   9.6241  529.285   9.5430 2.659119 13.55331 
1 1 1    4    6   16 o  228.686   5.6937  141.348   7.0360   0.0000   0.0000  141.348   7.0360  ?   ?   228.686   5.6937      ?      ? 
1 1 1    4    6   17 o  224.821   5.6412  136.612   6.8533   0.0000   0.0000  136.612   6.8533  ?   ?   224.821   5.6412      ?      ? 
1 1 1    4    6   18 o  340.341   4.8963  312.905   9.0012  304.525   12.520  321.871   12.950  335.629   6.9032  345.054   6.9456 -9.425354 9.792636 
1 1 1    4    6   19 o  199.772   3.9543  107.748   4.2661  111.409   6.1663  104.386   5.9083  203.023   5.6207  196.521   5.5637 6.502502 7.908689 
1 1 1    4    6   20 o  284.634   4.4579  219.017   6.8558  218.450   9.7558  219.570   9.6365  284.270   6.3510  285.000   6.2573 -0.7299194 8.915708 
1 1 1    4    6   21 o  575.787   7.2851  896.739   22.659  910.841   32.561  883.496   31.552  580.167   10.386  571.406   10.219 8.760803 14.57025 
1 1 1    4    6   22 o  484.248   6.3212  634.159   16.539  625.472   23.159  643.201   23.627  480.866   8.9125  487.630   8.9665 -6.764191 12.64243 
1 1 1    4    6   23 o  793.805   9.7165  1705.82   41.660  1675.40   57.896  1738.50   59.993  786.485   13.623  801.125   13.858 -14.64032 19.43290 
1 1 1    4    6   24 o  384.222   5.3660  399.051   11.139  391.920   15.601  406.466   15.910  380.722   7.5833  387.722   7.5940 -7.000244 10.73200 
1 1 1    4    6   25 o  1093.75   16.107  3258.75   90.102  3229.73  154.385  3273.75  110.958  1088.97   26.236  1098.53   18.692 -9.551758 32.21391 
1 1 1    4    6   26 o  169.347   5.4340   77.509   4.9711   74.842   6.9693   80.270   7.0927  166.383   7.7517  172.312   7.6174 -5.929688 10.86797 
1 1 1    4    6   27 o  543.388   9.7574  799.084   28.645  788.964   40.049  809.685   40.988  539.872   13.728  546.905   13.870 -7.032837 19.51484 
1 1 1    4    6   28 o  849.526   12.697  1947.42   54.727  1932.15   66.639  1979.05   95.916  844.846   14.597  854.206   20.780 -9.359863 25.39438 
1 1 1    4    6   29 o  274.637   4.7351  203.526   7.0213  194.253   9.7079  213.697   10.167  268.088   6.7013  281.186   6.6915 -13.09741 9.470140 
1 1 1    4    6   30 o  1861.81   22.191  9436.96  223.230  9513.99  318.395  9362.49  313.063  1869.21   31.522  1854.40   31.242 14.81482 44.38163 
1 1 1    4    6   31 o  665.864   10.276  1204.51   34.953  1213.78   43.015  1186.49   59.971  669.849   11.884  661.878   16.768 7.970886 20.55183 
1 1 1    4    6   32 o  1195.94   14.359  3876.83   92.763  3820.83  129.234  3936.35  133.231  1187.07   20.147  1204.81   20.464 -17.74426 28.71758 
1 1 1    4    6   33 o  309.497   6.5243  256.440   10.044  265.540   18.351  252.548   12.000  313.334   10.839  305.661   7.2656 7.673157 13.04855 
1 1 1    4    6   34 o  613.197   11.223  1018.47   37.188  1018.02   52.799  1018.92   52.386  613.055   15.938  613.339   15.806 -0.2838745 22.44693 
1 1 1    4    6   35 o  699.313   12.542  1326.13   47.393  1324.10   67.160  1328.15   66.889  698.772   17.786  699.855   17.687 -1.083191 25.08373 
1 1 1    4    6   36 o  261.749   6.8488  183.696   8.7127  189.031   16.536  181.646   10.251  264.294   11.578  259.205   7.3188 5.088959 13.69752 
1 1 1    4    6   37 o  133.230   6.8140   48.007   4.9016   48.161   7.0816   47.865   6.7914  133.433   9.8216  133.028   9.4477 0.4043579 13.62803 
1 1 1    4    6   38 o  867.171   10.657  2037.34   49.924  2007.71   69.622  2068.69   71.627  860.703   14.970  873.640   15.173 -12.93701 21.31413 
1 1 1    4    6   39 o  625.877   8.0750  1060.17   27.308  1048.88   38.313  1071.84   38.932  622.492   11.390  629.262   11.450 -6.770752 16.15010 
1 1 1    4    6   40 o  239.749   6.4116  155.041   7.9736  157.252   13.336  153.811   9.9475  241.027   10.239  238.470   7.7195 2.556320 12.82313 
1 1 1    4    6   41 o  425.502   6.2003  489.425   14.244  500.050   20.654  479.789   19.670  429.893   8.8911  421.111   8.6441 8.782318 12.40053 
1 1 1    4    6   42 o  117.412   9.1077   37.170   5.6899   36.161   7.3807   38.649   8.9334  115.495   11.826  119.328   13.854 -3.832741 18.21543 
1 1 1    4    6   43 o  802.511   9.9723  1749.11   43.239  1764.39   61.749  1734.42   60.567  805.925   14.179  799.097   14.026 6.827820 19.94455 
1 1 1    4    6   44 o  249.087   5.4069  167.922   7.2729  168.130   10.480  167.728   10.101  249.229   7.7816  248.946   7.5092 0.2826080 10.81390 
1 1 1    4    6   45 o  311.979   5.4593  263.501   9.2008  265.680   13.195  261.439   12.836  313.228   7.7958  310.731   7.6447 2.496613 10.91863 
1 1 1    4    6   46 o  278.771   5.3823  210.515   8.1060  209.542   11.571  211.453   11.359  278.130   7.6993  279.412   7.5231 -1.281799 10.76459 
1 1 1    4    6   47 o  398.490   5.9459  430.509   12.802  433.654   18.277  427.480   17.936  399.910   8.4578  397.070   8.3595 2.840454 11.89181 
1 1 1    4    6   48 f  364.436   5.6893  360.217   11.200  362.797   16.067  357.778   15.622  365.690   8.1306  363.182   7.9602 2.507294 11.37857 
1 1 1    4    6   49 o  120.528   7.4659   39.357   4.8516   42.598   7.1459   36.585   6.6080  125.109   10.570  115.947   10.547 9.162827 14.93188 
1 1 1    4    6   50 o  167.448   5.8952   76.278   5.3258   72.180   7.5892   80.254   7.4756  162.979   8.6173  171.916   8.0472 -8.937088 11.79048 
1 1 1    4    6   51 o   37.932   11.606  -0.6669   4.3964  -2.3276   6.5494   0.6950   5.9312   36.692   16.345   39.172   16.481 -2.479439 23.21161 
1 1 1    4    6   52 o  251.929   5.3288  172.447   7.2478  172.808   10.481  172.115   10.034  252.152   7.6919  251.706   7.3771 0.4459381 10.65769 
1 1 1    4    6   53 o  203.707   5.5857  113.208   6.1302  103.855   8.7094  122.390   8.6300  195.281   8.2535  212.133   7.5286 -16.85167 11.17145 
1 1 1    4    6   54 o  100.271   8.8503   27.856   4.7746   25.960   6.9129   29.587   6.6026   96.875   13.206  103.667   11.786 -6.792343 17.70056 
1 1 1    4    6   55 o   88.439   9.9036   21.583   4.7143   23.952   7.0421   19.660   6.3462   92.795   14.044   84.083   13.967 8.711357 19.80714 
1 1 1    4    6   56 o  103.638   11.707   30.694   6.3406   36.892   9.2714   25.248   8.6906  114.596   14.972   92.681   18.002 21.91571 23.41442 
1 1 1    4    6   57 o  113.982   10.489   36.549   6.4565   38.131   9.3195   35.090   8.9533  116.353   14.823  111.611   14.845 4.742287 20.97844 
1 1 1    4    6   58 o  233.801   6.5729  148.653   7.9644  144.102   9.8808  157.095   13.457  229.335   7.9732  238.266   10.452 -8.930298 13.14579 
1 1 1    4    6   59 o  116.228   8.1213   37.690   5.0929   36.488   7.3266   38.814   7.0843  114.315   11.861  118.141   11.097 -3.826172 16.24260 
1 1 1    4    6   60 o  169.533   6.4115   79.676   5.8390   70.110   8.2739   89.166   8.2413  159.125   9.6224  179.941   8.4757 -20.81580 12.82297 
1 1 1    4    6   61 o  239.576   5.6684  157.339   7.3204  168.409   10.822  148.002   9.9393  247.263   8.0998  231.889   7.9321 15.37350 11.33685 
1 1 1    4    6   62 o  237.643   5.8181  154.794   7.4454  167.253   11.109  144.634   10.032  246.200   8.3501  229.086   8.1040 17.11407 11.63612 
1 1 1    4    6   63 o  282.241   8.7882  226.703   13.357  229.505   19.762  224.347   18.124  283.270   12.910  281.211   11.927 2.058777 17.57649 
1 1 1    4    6   64 o   97.646   16.785   33.374   8.8494   27.703   13.154   38.063   11.961   87.526   25.952  107.766   21.295 -20.24046 33.57038 
1 1 1    4    6   65 o  244.660   7.9404  164.106   9.4790  185.293   18.145  156.153   11.117  252.649   13.291  236.670   8.6924 15.97847 15.88072 
1 1 1    4    6   66 o   87.984   12.644   24.850   5.8789   17.608   8.4892   31.524   8.1493   72.733   20.641  103.234   14.609 -30.50052 25.28785 
1 1 1    4    6   67 o  138.238   8.4987   56.699   6.3283   54.694   9.1972   58.502   8.7209  135.338   12.576  141.138   11.435 -5.800568 16.99744 
1 1 1    4    6   68 o   79.581   13.546   21.676   5.7454   23.465   8.4695   20.150   7.8197   82.562   19.326   76.599   18.987 5.962990 27.09237 
1 1 1    4    7    4 o  431.065   5.8433  502.114   13.611   0.0000   0.0000  502.114   13.611  ?   ?   431.065   5.8433      ?      ? 
1 1 1    4    7    5 f  539.925   7.9871  780.243   19.928  803.153   40.895  773.109   22.821  544.996   13.886  534.853   7.8961 10.14362 15.97424 
1 1 1    4    7    8 o  434.822   5.8210  511.002   13.677  509.436   19.287  512.585   19.397  434.152   8.2213  435.492   8.2428 -1.339417 11.64191 
1 1 1    4    7    9 o  527.427   6.8105  751.724   19.406  741.270   27.109  762.712   27.793  523.669   9.5802  531.186   9.6826 -7.517029 13.62108 
1 1 1    4    7   10 o  478.428   6.2580  618.575   16.176  625.007   23.115  612.402   22.646  480.864   8.8957  475.992   8.8044 4.871674 12.51604 
1 1 1    4    7   12 o  508.379   6.5662  698.046   18.024  715.654   26.112  682.021   24.911  514.493   9.3923  502.265   9.1785 12.22754 13.13241 
1 1 1    4    7   13 o  433.162   5.7998  507.236   13.575  502.938   19.109  511.615   19.287  431.309   8.1992  435.014   8.2050 -3.704712 11.59953 
1 1 1    4    7   14 o  493.473   9.0737  658.514   24.196   0.0000   0.0000  658.514   24.196  ?   ?   493.473   9.0737      ?      ? 
1 1 1    4    7   15 o  550.348   7.0188  819.210   20.873  815.108   29.447  823.353   29.591  548.963   9.9268  551.733   9.9253 -2.769775 14.03761 
1 1 1    4    7   16 o  318.146   4.7595  273.378   8.1767  279.677   11.830  267.615   11.314  321.650   6.8065  314.642   6.6545 7.008759 9.518956 
1 1 1    4    7   17 o  319.539   4.7536  276.007   8.2070  276.917   11.705  275.127   11.510  320.056   6.7682  319.022   6.6768 1.033905 9.507267 
1 1 1    4    7   18 o  657.641   8.1904  1170.23   29.100  1183.64   41.653  1157.44   40.673  661.315   11.656  653.968   11.510 7.346375 16.38081 
1 1 1    4    7   19 o  304.915   6.5753  251.343   10.834   0.0000   0.0000  251.343   10.834  ?   ?   304.915   6.5753      ?      ? 
1 1 1    4    7   20 o  929.554   11.270  2343.19   56.609  2347.50   80.266  2338.93   79.851  930.398   15.965  928.710   15.911 1.687927 22.54023 
1 1 1    4    7   21 o  593.711   10.631  953.937   34.105   0.0000   0.0000  953.937   34.105  ?   ?   593.711   10.631      ?      ? 
1 1 1    4    7   22 o  922.485   11.198  2306.67   55.815  2287.19   78.326  2326.77   79.557  918.540   15.781  926.431   15.892 -7.891113 22.39601 
1 1 1    4    7   23 o  772.143   11.655  1598.04   45.179  1666.44   81.277  1567.46   54.349  783.477   19.198  760.809   13.220 22.66779 23.30924 
1 1 1    4    7   24 o  370.026   7.2302  367.176   14.383  339.640   19.189  402.477   21.727  354.341   10.022  385.711   10.424 -31.36984 14.46043 
1 1 1    4    7   25 o  302.686   6.4115  246.529   10.460  229.955   14.196  266.216   15.472  291.612   9.0087  313.759   9.1255 -22.14716 12.82306 
1 1 1    4    7   26 o  465.473   12.113  586.261   30.468   0.0000   0.0000  586.261   30.468  ?   ?   465.473   12.113      ?      ? 
1 1 1    4    7   27 o  994.406   12.024  2677.64   64.591  2637.12   89.957  2720.77   92.801  986.663   16.872  1002.15   17.137 -15.48639 24.04897 
1 1 1    4    7   28 o  750.508   9.2675  1523.91   37.583  1515.14   52.908  1532.84   53.397  748.330   13.084  752.685   13.129 -4.355103 18.53504 
1 1 1    4    7   29 o  629.048   7.9615  1069.23   27.043  1093.57   39.152  1047.03   37.397  635.880   11.394  622.216   11.123 13.66364 15.92306 
1 1 1    4    7   30 o  426.699   7.4519  488.622   15.947  482.406   19.194  502.477   28.656  422.423   8.4089  430.975   12.305 -8.551788 14.90371 
1 1 1    4    7   31 o  954.125   14.257  2463.70   69.007  2454.82   84.107  2481.98  120.703  952.081   16.348  956.170   23.361 -4.089539 28.51338 
1 1 1    4    7   32 o  583.298   9.3127  916.362   27.310  932.432   48.726  909.002   32.976  586.847   15.366  579.749   10.526 7.098022 18.62537 
1 1 1    4    7   33 f  362.804   8.1175  356.073   15.913  356.757   22.634  355.405   22.378  363.146   11.534  362.462   11.425 0.6841125 16.23495 
1 1 1    4    7   34 o  247.475   7.9465  164.779   10.597  151.847   14.378  180.158   15.679  236.905   11.232  258.046   11.244 -21.14088 15.89308 
1 1 1    4    7   35 o  476.704   9.4862  614.961   24.428  599.775   34.043  631.081   35.074  470.643   13.386  482.765   13.445 -12.12213 18.97239 
1 1 1    4    7   36 o  621.002   7.9793  1043.45   26.773  1048.12   38.170  1038.94   37.564  622.362   11.350  619.641   11.219 2.720703 15.95862 
1 1 1    4    7   37 o  651.102   8.3183  1146.85   29.256  1123.27   40.711  1172.03   42.071  644.192   11.695  658.012   11.832 -13.82001 16.63659 
1 1 1    4    7   38 o  964.535   11.770  2523.10   61.344  2527.14   87.015  2519.11   86.494  965.294   16.682  963.776   16.608 1.517639 23.53970 
1 1 1    4    7   39 o  310.146   5.5862  259.890   9.3569  252.170   12.972  268.264   13.510  305.351   7.8617  314.941   7.9384 -9.590546 11.17248 
1 1 1    4    7   40 o  321.896   5.5702  280.265   9.6888  278.626   13.676  281.918   13.728  320.950   7.8856  322.841   7.8692 -1.891052 11.14036 
1 1 1    4    7   41 o  290.135   10.197  227.928   15.987  227.928   15.987   0.0000   0.0000  290.135   10.197  ?   ?       ?      ? 
1 1 1    4    7   42 o  399.732   7.1820  433.872   14.893  436.480   18.647  429.279   24.748  401.546   8.5936  397.917   11.510 3.629272 14.36402 
1 1 1    4    7   43 o  500.774   8.2714  677.256   21.177  671.232   25.979  689.189   36.561  497.777   9.6582  503.772   13.431 -5.995422 16.54278 
1 1 1    4    7   44 o  440.011   6.2851  524.248   14.939  532.494   21.475  516.518   20.794  443.351   8.9640  436.670   8.8123 6.681549 12.57022 
1 1 1    4    7   45 o  337.910   5.5768  309.231   10.181  311.874   14.558  306.702   14.244  339.317   7.9397  336.503   7.8334 2.813660 11.15351 
1 1 1    4    7   46 o   60.066   12.107   9.1588   4.7389   1.2970   6.7020   17.020   6.7015   42.687   17.706   77.444   16.518 -34.75719 24.21452 
1 1 1    4    7   47 o  379.659   5.8067  390.858   11.910  392.846   17.057  388.968   16.637  380.586   8.2939  378.731   8.1292 1.854950 11.61350 
1 1 1    4    7   48 o  315.398   5.4358  269.158   9.2447  279.040   13.609  260.689   12.598  320.736   7.8519  310.060   7.5191 10.67569 10.87151 
1 1 1    4    7   49 o  171.588   5.9739   80.196   5.5212   75.051   7.9516   84.986   7.6720  166.215   8.8532  176.960   8.0232 -10.74525 11.94781 
1 1 1    4    7   50 o  135.253   6.8911   49.132   4.9912   59.437   7.5293   41.054   6.6666  147.764   9.4297  122.742   10.051 25.02160 13.78214 
1 1 1    4    7   51 o  319.775   5.4796  277.211   9.4462  287.004   13.933  268.882   12.851  324.944   7.9349  314.606   7.5591 10.33878 10.95915 
1 1 1    4    7   52 o  324.550   5.5189  286.430   9.6774  285.854   13.793  286.989   13.582  324.210   7.8728  324.890   7.7363 -0.6793213 11.03771 
1 1 1    4    7   53 o  303.239   5.4968  250.359   9.0058  244.844   12.701  255.934   12.771  299.862   7.8386  306.616   7.7081 -6.754578 10.99359 
1 1 1    4    7   54 o  265.695   5.4359  192.382   7.8018  187.325   11.062  197.388   11.005  262.185   7.8079  269.205   7.5652 -7.020447 10.87178 
1 1 1    4    7   55 o  223.681   7.3075  137.508   8.8282  136.351   12.655  138.604   12.321  222.699   10.516  224.664   10.149 -1.964706 14.61506 
1 1 1    4    7   56 o  146.679   8.7451   59.896   6.9137   55.608   9.8395   64.077   9.7166  141.311   12.886  152.047   11.826 -10.73627 17.49012 
1 1 1    4    7   57 o  235.189   6.6244  151.385   8.2080  148.774   10.463  155.563   13.235  233.009   8.3101  237.368   10.318 -4.358597 13.24870 
1 1 1    4    7   58 o  285.817   5.5410  223.618   8.5500  226.766   12.393  220.759   11.811  287.667   7.9723  283.967   7.6974 3.700470 11.08191 
1 1 1    4    7   59 o  169.230   6.3523   79.184   5.7834   71.073   8.2031   87.201   8.1551  160.402   9.4641  178.058   8.4758 -17.65654 12.70468 
1 1 1    4    7   60 o  224.484   5.7275  138.124   6.9338  147.276   10.205  130.275   9.4504  231.335   8.1635  217.634   8.0359 13.70026 11.45508 
1 1 1    4    7   61 o  174.936   6.5188   85.138   6.1336   79.318   8.8961   90.413   8.4682  168.958   9.7439  180.913   8.6623 -11.95483 13.03761 
1 1 1    4    7   62 o  342.715   5.9375  324.062   10.975  334.047   16.117  315.430   14.986  347.454   8.5840  337.976   8.2055 9.477570 11.87498 
1 1 1    4    7   63 f  123.096   13.590   46.147   9.0069   48.401   13.424   44.302   12.147  125.368   19.816  120.823   18.605 4.544899 27.18096 
1 1 1    4    7   64 o  208.318   9.6500  126.919   10.824  128.671   16.028  125.450   14.675  208.981   14.194  207.654   13.078 1.327133 19.30008 
1 1 1    4    7   65 o  192.652   8.6981  101.663   8.2299  118.559   15.682   95.241   9.6683  201.076   14.433  184.227   9.7120 16.84930 17.39614 
1 1 1    4    7   66 o   65.185   14.180   14.508   5.7374   9.6550   8.3384   18.871   7.9066   55.429   20.705   74.941   19.380 -19.51115 28.36033 
1 1 1    4    7   67 o  152.579   7.7939   67.163   6.4084   74.374   9.3294   60.721   8.8178  160.552   10.754  144.605   11.285 15.94724 15.58790 
1 1 1    4    7   68 o   67.219   14.341   16.581   5.6773   15.045   8.2684   17.951   7.8090   63.714   20.846   70.724   19.702 -7.009693 28.68251 
1 1 1    4    8    0 o  926.801   11.228  2323.51   56.233  2322.69   79.490  2324.33   79.560  926.638   15.875  926.965   15.883 -0.3270874 22.45664 
1 1 1    4    8    1 o  1140.74   19.352  3522.08  119.291   0.0000   0.0000  3522.08  119.291  ?   ?   1140.74   19.352      ?      ? 
1 1 1    4    8    2 f  469.123   6.2196  594.828   15.767  593.215   22.278  596.447   22.317  468.485   8.8001  469.760   8.7916 -1.274658 12.43920 
1 1 1    4    8    3 o  407.119   6.7497  447.362   14.016  450.000   24.254  446.039   17.174  407.989   11.001  406.249   7.8234 1.740082 13.49948 
1 1 1    4    8    4 o  946.455   16.176  2423.42   82.728   0.0000   0.0000  2423.42   82.728  ?   ?   946.455   16.176      ?      ? 
1 1 1    4    8    5 o  592.842   10.556  950.131   33.816   0.0000   0.0000  950.131   33.816  ?   ?   592.842   10.556      ?      ? 
1 1 1    4    8    7 o  348.558   5.0915  328.257   9.5880  332.581   13.720  324.130   13.404  350.800   7.2380  346.316   7.1627 4.484131 10.18297 
1 1 1    4    8    9 o  271.671   6.3922  199.462   9.3838   0.0000   0.0000  199.462   9.3838  ?   ?   271.671   6.3922      ?      ? 
1 1 1    4    8   10 o  610.239   10.887  1007.10   35.899   0.0000   0.0000  1007.10   35.899  ?   ?   610.239   10.887      ?      ? 
1 1 1    4    8   12 o  591.980   7.4908  947.312   23.949  966.512   34.565  929.585   33.212  597.738   10.701  586.222   10.485 11.51569 14.98152 
1 1 1    4    8   13 o  939.640   11.391  2391.24   57.816  2428.11   83.126  2356.69   80.468  946.630   16.251  932.650   15.967 13.97998 22.78190 
1 1 1    4    8   14 o  516.664   6.7041  720.890   18.695  742.992   27.252  701.243   25.694  524.125   9.6221  509.202   9.3378 14.92294 13.40820 
1 1 1    4    8   15 o  642.344   8.0469  1116.43   27.929  1122.14   39.756  1110.87   39.245  643.962   11.425  640.726   11.335 3.235718 16.09386 
1 1 1    4    8   17 o  623.531   7.8343  1052.04   26.395  1057.90   37.593  1046.35   37.068  625.237   11.127  621.824   11.032 3.413696 15.66864 
1 1 1    4    8   18 o  621.101   7.8152  1043.97   26.228  1049.27   37.354  1038.81   36.834  622.653   11.102  619.549   11.002 3.104309 15.63033 
1 1 1    4    8   19 o  220.438   5.8927  131.357   7.0193   0.0000   0.0000  131.357   7.0193  ?   ?   220.438   5.8927      ?      ? 
1 1 1    4    8   20 o  526.679   6.8331  750.306   19.441  756.411   27.877  744.526   27.127  528.758   9.7567  524.601   9.5692 4.157043 13.66613 
1 1 1    4    8   21 f  772.690   13.387  1619.77   55.861  1650.00   80.651  1591.89   77.445  779.574   19.146  765.807   18.715 13.76752 26.77305 
1 1 1    4    8   22 o  548.088   9.8377  813.292   29.128  798.198   40.614  829.279   41.799  542.860   13.845  553.315   13.980 -10.45490 19.67538 
1 1 1    4    8   23 o  506.068   9.2045  693.057   25.160  702.252   36.195  684.459   34.999  509.305   13.152  502.832   12.881 6.472748 18.40894 
1 1 1    4    8   24 o  720.787   10.907  1400.03   39.906  1386.46   48.591  1428.15   69.944  715.752   12.563  725.822   17.833 -10.07031 21.81426 
1 1 1    4    8   25 o  1176.48   14.146  3753.56   89.911  3703.06  125.458  3806.88  128.919  1168.38   19.871  1184.58   20.140 -16.20044 28.29297 
1 1 1    4    8   26 o  518.547   9.5793  727.115   26.842   0.0000   0.0000  727.115   26.842  ?   ?   518.547   9.5793      ?      ? 
1 1 1    4    8   27 o  1570.69   18.754  6704.06  159.170  6676.19  224.271  6732.35  225.939  1567.42   26.479  1573.97   26.565 -6.549561 37.50766 
1 1 1    4    8   28 o  1027.01   12.411  2856.43   68.873  2871.08   97.995  2842.12   96.817  1029.61   17.613  1024.42   17.490 5.187744 24.82190 
1 1 1    4    8   29 o  991.455   14.824  2646.40   74.015  2613.29   89.415  2718.47  131.917  982.317   16.845  1000.59   24.398 -18.27618 29.64819 
1 1 1    4    8   30 o  271.832   6.5157  198.335   8.6252  196.462   10.165  203.153   16.299  269.599   6.9776  274.065   11.006 -4.466187 13.03144 
1 1 1    4    8   31 o  686.831   10.623  1278.12   37.050  1274.10   64.524  1280.10   45.253  685.789   17.412  687.872   12.175 -2.083130 21.24591 
1 1 1    4    8   32 o  410.902   8.5802  456.498   19.044  445.946   26.485  467.793   27.402  405.992   12.073  415.812   12.196 -9.820038 17.16039 
1 1 1    4    8   33 o  582.474   10.856  918.394   34.153  936.261   49.219  901.802   47.429  587.921   15.493  577.026   15.211 10.89447 21.71170 
1 1 1    4    8   34 o  341.022   8.2340  314.552   15.167  320.496   21.833  309.009   21.085  344.129   11.741  337.915   11.547 6.213898 16.46795 
1 1 1    4    8   35 f  611.549   9.7476  1019.85   30.441  990.766   52.075  1034.94   37.518  604.648   15.938  618.450   11.227 -13.80231 19.49526 
1 1 1    4    8   36 o  381.313   5.8221  393.172   11.995  386.138   16.906  400.303   17.023  377.877   8.2793  384.750   8.1878 -6.872467 11.64412 
1 1 1    4    8   37 o  1119.18   13.539  3401.27   81.879  3397.48  115.771  3405.05  115.817  1118.56   19.154  1119.81   19.140 -1.249390 27.07778 
1 1 1    4    8   38 o  1049.45   12.750  2988.92   72.284  2946.51  100.783  3033.85  103.730  1041.82   17.902  1057.08   18.160 -15.25562 25.50033 
1 1 1    4    8   39 o  516.929   7.0296  722.395   19.622  700.659   27.134  746.223   28.409  508.794   9.8691  525.063   10.013 -16.26935 14.05913 
1 1 1    4    8   40 f  454.730   6.4380  559.282   15.814  569.837   22.734  549.386   22.012  458.880   9.1683  450.580   9.0407 8.299683 12.87604 
1 1 1    4    8   41 o  582.927   9.2520  921.735   27.611  922.748   47.344  921.214   33.989  582.776   15.034  583.078   10.788 -0.3024902 18.50394 
1 1 1    4    8   42 o  474.598   7.9800  615.324   19.630  593.919   32.468  627.655   24.643  467.802   12.844  481.395   9.4735 -13.59348 15.96007 
1 1 1    4    8   43 o  156.200   7.6903   64.933   6.3989   59.357   8.2537   73.333   10.131  147.979   10.322  164.421   11.403 -16.44188 15.38062 
1 1 1    4    8   44 o  279.689   6.3445  212.133   9.2495  212.524   11.643  211.464   15.228  280.151   7.6914  279.227   10.092 0.9236755 12.68903 
1 1 1    4    8   45 o  108.439   8.5075   32.012   4.9776   30.160   7.0670   33.836   7.0120  105.300   12.420  111.578   11.630 -6.278473 17.01493 
1 1 1    4    8   46 o  314.941   5.5550  268.844   9.4517  261.857   13.341  275.884   13.392  310.822   7.9433  319.060   7.7677 -8.238770 11.11002 
1 1 1    4    8   47 o  350.164   5.6648  332.613   10.717  325.446   15.123  339.842   15.190  346.362   8.0802  353.965   7.9415 -7.601990 11.32950 
1 1 1    4    8   48 o  103.271   8.5099   28.966   4.7389   31.146   6.9744   27.096   6.4590  106.862   12.078   99.679   11.992 7.182716 17.01984 
1 1 1    4    8   49 o   52.892   12.387   6.6100   4.5269   1.1738   6.5094   11.702   6.2999   41.740   17.393   64.044   17.641 -22.30393 24.77355 
1 1 1    4    8   50 o   85.305   10.523   20.307   4.7188   23.686   6.8795   17.304   6.4848   92.834   13.714   77.775   15.965 15.05865 21.04639 
1 1 1    4    8   51 o  219.942   5.5235  131.480   6.5577  131.889   9.5025  131.108   9.0611  220.239   7.9847  219.646   7.6343 0.5932159 11.04705 
1 1 1    4    8   52 f   73.718   11.647   15.838   4.6451   11.314   6.8332   19.724   6.3335   62.922   18.716   84.515   13.868 -21.59258 23.29419 
1 1 1    4    8   53 o  251.964   5.4635  172.344   7.4255  182.836   10.904  163.270   10.140  259.075   7.7886  244.852   7.6641 14.22292 10.92709 
1 1 1    4    8   54 o  143.788   8.6818   56.720   6.6721   69.324   9.8507   46.036   9.0691  158.644   11.491  128.931   13.017 29.71301 17.36351 
1 1 1    4    8   55 o  253.272   7.2434  176.290   9.9083  183.378   14.266  169.685   13.772  258.193   10.225  248.350   10.262 9.843231 14.48690 
1 1 1    4    8   56 o  152.665   7.6948   63.555   6.2103   60.551   7.9180   68.356   10.011  148.334   9.8784  156.995   11.801 -8.660400 15.38962 
1 1 1    4    8   57 o  215.434   5.7822  127.260   6.7205  126.709   9.7713  127.755   9.2579  214.900   8.4145  215.967   7.9330 -1.067749 11.56441 
1 1 1    4    8   58 o   71.809   12.240   15.617   4.7366   12.502   6.8929   18.404   6.5197   64.558   18.688   79.060   15.813 -14.50220 24.48065 
1 1 1    4    8   59 o  168.163   6.4293   78.295   5.8240   73.280   8.3743   82.993   8.1051  162.759   9.5217  173.568   8.6417 -10.80843 12.85854 
1 1 1    4    8   60 o   38.242   11.859  -0.8385   4.7717  -3.5133   7.0693   1.4000   6.4671   35.838   16.371   40.646   17.161 -4.807858 23.71767 
1 1 1    4    8   61 o  124.101   8.1190   43.231   5.4243   43.463   8.0288   43.036   7.3573  124.206   11.962  123.996   10.980 0.2104874 16.23793 
1 1 1    4    8   62 o   53.932   13.770   7.9918   5.1525   10.073   7.6714   6.2809   6.9546   58.079   20.084   49.786   18.843 8.292835 27.53970 
1 1 1    4    8   63 o  253.401   9.2295  182.191   12.499  203.964   19.500  167.005   16.285  265.387   13.598  241.416   12.484 23.97040 18.45904 
1 1 1    4    8   64 o  166.093   11.328   82.340   10.132   91.892   14.966   74.257   13.767  175.145   15.814  157.040   16.224 18.10458 22.65571 
1 1 1    4    8   65 o  190.240   8.9328  103.392   8.2936  106.104   15.478  102.300   9.8227  189.433   15.121  191.048   9.5148 -1.615387 17.86555 
1 1 1    4    8   66 o  136.676   8.5072   55.501   6.2565   50.767   8.9224   60.080   8.7755  130.262   12.676  143.089   11.349 -12.82765 17.01436 
1 1 1    4    8   67 o  182.803   6.9471   95.321   6.8585   97.159   9.8982   93.624   9.5122  184.388   9.9342  181.219   9.7139 3.168701 13.89418 
1 1 1    4    9    2 o  413.699   5.7492  462.501   12.850  466.841   18.359  458.333   17.993  415.601   8.1748  411.798   8.0861 3.802948 11.49831 
1 1 1    4    9    3 o  271.675   5.4029  199.154   7.4914  200.473   12.950  198.490   9.1842  272.336   8.7998  271.015   6.2713 1.321106 10.80584 
1 1 1    4    9    4 o  297.796   6.5450  239.666   10.532   0.0000   0.0000  239.666   10.532  ?   ?   297.796   6.5450      ?      ? 
1 1 1    4    9    5 o  302.936   4.8964  247.986   8.0152   0.0000   0.0000  247.986   8.0152  ?   ?   302.936   4.8964      ?      ? 
1 1 1    4    9    6 o  679.356   9.7156  1259.42   31.309  1226.13   60.911  1271.38   36.499  672.976   16.750  685.735   9.8501 -12.75891 19.43125 
1 1 1    4    9    7 f  431.033   5.8794  501.694   13.684  488.288   18.910  516.433   19.827  424.997   8.2340  437.069   8.3948 -12.07169 11.75889 
1 1 1    4    9    8 o  395.884   5.5435  423.596   11.857  428.481   16.963  418.930   16.579  398.114   7.8851  393.655   7.7940 4.459717 11.08698 
1 1 1    4    9    9 o  991.784   12.026  2665.61   64.451  2655.64   90.861  2675.70   91.436  989.922   16.986  993.647   17.029 -3.725525 24.05240 
1 1 1    4    9   10 o  518.657   6.7494  727.465   18.915  732.070   26.925  722.977   26.578  520.276   9.5771  517.038   9.5130 3.238220 13.49882 
1 1 1    4    9   11 o  813.227   9.9620  1790.60   43.774  1802.34   62.324  1779.17   61.497  815.851   14.137  810.602   14.040 5.248779 19.92395 
1 1 1    4    9   12 o  1100.19   13.277  3283.35   78.931  3297.93  112.235  3269.09  111.025  1102.59   18.838  1097.79   18.716 4.801514 26.55479 
1 1 1    4    9   13 o  301.013   4.8137  244.646   7.8238  252.266   11.342  237.730   10.806  305.477   6.8712  296.549   6.7435 8.928528 9.627473 
1 1 1    4    9   17 o  594.356   7.5693  954.125   24.269  987.309   35.581  925.256   33.188  603.982   10.902  584.730   10.504 19.25250 15.13868 
1 1 1    4    9   18 o  416.599   7.9847  469.521   17.963  476.802   25.965  462.838   24.876  419.684   11.449  413.514   11.133 6.169586 15.96947 
1 1 1    4    9   19 o  223.683   5.9188  135.371   7.1422  134.279   10.382  136.351   9.8410  222.820   8.6226  224.546   8.1105 -1.725769 11.83762 
1 1 1    4    9   20 o  692.573   12.136  1300.60   45.404  1315.77   65.136  1286.26   63.325  696.477   17.307  688.669   17.017 7.808167 24.27155 
1 1 1    4    9   21 o  635.856   9.7504  1095.16   31.776  1095.45   39.169  1094.59   54.348  636.224   11.393  635.488   15.826 0.7359619 19.50073 
1 1 1    4    9   22 o  786.096   9.6729  1673.11   41.088  1673.56   58.174  1672.67   58.042  786.199   13.693  785.993   13.666 0.2061157 19.34571 
1 1 1    4    9   23 o  1024.11   12.386  2842.77   68.543  2837.05   96.827  2848.51   97.041  1023.08   17.514  1025.15   17.518 -2.062988 24.77161 
1 1 1    4    9   24 o  735.533   9.1160  1464.08   36.231  1454.97   51.022  1473.35   51.458  733.227   12.877  737.839   12.906 -4.611938 18.23191 
1 1 1    4    9   25 o  338.506   5.1632  309.764   9.4417  308.783   13.501  310.704   13.209  337.979   7.3926  339.033   7.2100 -1.054047 10.32636 
1 1 1    4    9   26 o  920.668   11.204  2292.70   55.701  2240.65   77.047  2349.69   80.622  909.752   15.673  931.583   16.016 -21.83105 22.40827 
1 1 1    4    9   27 o  508.470   6.7132  699.023   18.445  699.044   26.162  699.003   26.009  508.476   9.5216  508.463   9.4662 0.1278687E-01 13.42642 
1 1 1    4    9   28 f  612.062   9.7076  998.794   29.604  975.993   35.358  1052.25   54.140  600.730   10.892  623.395   16.072 -22.66455 19.41525 
1 1 1    4    9   29 o  345.723   6.8017  330.652   12.036  348.463   15.035  298.874   20.082  359.034   7.7495  332.413   11.180 26.62076 13.60340 
1 1 1    4    9   30 o  1177.19   17.347  3787.50  104.958  3686.94  177.187  3841.87  130.273  1164.09   28.168  1190.30   20.254 -26.21204 34.69398 
1 1 1    4    9   31 o  869.697   15.197  2048.78   71.320  1988.74   97.830  2116.89  104.193  856.180   21.146  883.215   21.831 -27.03552 30.39324 
1 1 1    4    9   32 o  523.972   10.057  741.826   28.433  716.892   38.950  770.270   41.602  514.582   14.008  533.362   14.434 -18.77985 20.11395 
1 1 1    4    9   33 o  340.837   8.2167  314.371   15.131  321.171   21.468  307.658   21.330  344.504   11.532  337.170   11.707 7.333710 16.43340 
1 1 1    4    9   34 o  983.854   14.698  2643.64   74.136  2581.08  125.932  2676.81   91.713  974.077   23.925  993.631   17.081 -19.55414 29.39686 
1 1 1    4    9   35 o  571.373   7.5051  882.831   23.165  864.418   32.277  902.391   33.266  565.236   10.568  577.510   10.660 -12.27448 15.01022 
1 1 1    4    9   36 o  849.641   10.480  1956.33   48.115  1952.81   68.051  1959.85   68.038  848.874   14.836  850.408   14.806 -1.533752 20.95974 
1 1 1    4    9   37 f  863.451   10.649  2020.76   49.685  2007.53   69.966  2034.21   70.567  860.603   15.045  866.299   15.075 -5.696167 21.29787 
1 1 1    4    9   38 o  106.224   9.6338   30.902   5.4521   25.106   7.7420   36.603   7.6792   96.208   14.892  116.240   12.226 -20.03214 19.26756 
1 1 1    4    9   39 o  201.546   8.4826  109.895   9.2382  109.895   9.2382   0.0000   0.0000  201.546   8.4826  ?   ?       ?      ? 
1 1 1    4    9   40 o  462.914   6.5589  579.565   16.396  595.062   23.716  565.377   22.693  468.827   9.3613  457.000   9.1893 11.82645 13.11777 
1 1 1    4    9   41 o  260.573   5.6031  183.772   7.8884  182.535   11.224  184.980   11.089  259.702   7.9982  261.444   7.8491 -1.741882 11.20623 
1 1 1    4    9   42 o  240.175   6.5170  157.975   8.1977  148.874   13.136  163.780   10.491  234.367   10.373  245.983   7.8929 -11.61588 13.03409 
1 1 1    4    9   43 o  236.602   6.5462  152.018   8.1147  150.428   13.167  152.991   10.304  235.514   10.347  237.690   8.0224 -2.176529 13.09230 
1 1 1    4    9   44 o  266.567   6.3964  193.361   8.9413  195.690   11.387  189.617   14.440  268.780   7.8399  264.353   10.109 4.427460 12.79275 
1 1 1    4    9   45 o   91.829   10.971   24.111   5.1111   33.529   7.2981   15.045   7.1603  111.009   12.167   72.649   18.260 38.35923 21.94228 
1 1 1    4    9   46 o  189.261   5.9692   97.048   6.1001  100.554   8.8389   93.858   8.4293  192.516   8.4966  186.005   8.3864 6.510651 11.93832 
1 1 1    4    9   47 o  203.390   5.7182  112.154   6.2816  114.836   9.0535  109.665   8.7229  205.726   8.1440  201.053   8.0290 4.673065 11.43632 
1 1 1    4    9   48 o  270.910   5.4250  199.140   7.9397  198.413   11.342  199.838   11.119  270.412   7.7619  271.408   7.5812 -0.9960938 10.84993 
1 1 1    4    9   49 o  121.399   7.6698   40.490   4.9958   37.096   7.3036   43.474   6.8487  116.499   11.602  126.300   10.035 -9.801399 15.33960 
1 1 1    4    9   50 o  219.109   5.6558  129.377   6.6633  142.188   10.052  119.337   8.8993  228.677   8.1350  209.541   7.8595 19.13583 11.31151 
1 1 1    4    9   51 o  147.607   6.6058   59.187   5.2565   62.692   7.7673   56.226   7.1399  151.603   9.4814  143.612   9.2005 7.990555 13.21161 
1 1 1    4    9   52 o  178.995   6.8557   84.392   6.3945   99.685   10.887   76.336   7.9011  190.720   10.564  167.270   8.7414 23.45049 13.71131 
1 1 1    4    9   53 o  461.717   9.1365  589.288   22.787  600.450   32.762  578.829   31.715  465.873   13.014  457.561   12.827 8.311676 18.27300 
1 1 1    4    9   54 o  297.043   7.4066  242.561   11.887  238.739   16.797  246.396   16.826  294.662   10.549  299.424   10.399 -4.761871 14.81310 
1 1 1    4    9   55 o  193.193   6.0003  101.615   6.2423  108.963   9.3145   95.624   8.4103  199.450   8.6425  186.936   8.3259 12.51442 12.00057 
1 1 1    4    9   56 o  177.245   6.2385   86.087   5.9616   88.286   8.7734   84.201   8.1257  179.270   9.0568  175.220   8.5820 4.049667 12.47705 
1 1 1    4    9   57 o  185.061   6.1237   94.277   6.1104   89.456   8.7733   98.818   8.5153  180.334   9.0032  189.788   8.3031 -9.454086 12.24747 
1 1 1    4    9   58 o  124.790   7.9100   43.409   5.3190   43.000   7.7944   43.765   7.2767  124.090   11.624  125.490   10.731 -1.400871 15.82004 
1 1 1    4    9   59 o  144.820   7.1180   57.722   5.5424   66.150   8.2702   50.851   7.4674  154.389   9.9132  135.252   10.217 19.13640 14.23599 
1 1 1    4    9   60 o  231.326   5.8336  147.128   7.2763  153.347   10.722  141.819   9.9066  235.751   8.4167  226.901   8.0798 8.850067 11.66722 
1 1 1    4    9   61 o  163.408   6.8784   74.900   6.0222   67.366   8.7818   81.589   8.2741  155.209   10.471  171.606   8.9228 -16.39726 13.75689 
1 1 1    4    9   62 o   96.090   10.962   27.162   5.4650   34.393   8.0771   21.057   7.4219  109.278   13.678   82.901   17.134 26.37735 21.92439 
1 1 1    4    9   63 o  111.351   15.664   40.940   9.2354   49.662   13.564   33.401   12.610  124.874   20.101   97.828   24.028 27.04624 31.32755 
1 1 1    4    9   64 o   86.226   17.029   26.491   8.9147   15.095   13.065   36.419   12.194   67.798   25.787  104.655   22.248 -36.85616 34.05823 
1 1 1    4    9   65 o   41.581   13.203  -1.7988   6.4785 -15.1351   12.109   3.5498   7.6684   38.008   18.490   45.153   18.852 -7.145554 26.40580 
1 1 1    4    9   66 o  186.397   6.8927   99.674   6.9104   96.152   10.148  102.720   9.4366  182.738   10.276  190.055   9.1886 -7.316696 13.78536 
1 1 1    4    9   67 o  127.401   9.2037   48.021   6.2725   58.232   9.5900   40.386   8.2922  139.298   12.741  115.504   13.286 23.79407 18.40734 
1 1 1    4   10    0 o  300.195   4.9801  243.581   8.0780  244.478   11.499  242.708   11.350  300.740   7.0761  299.651   7.0096 1.089691 9.960258 
1 1 1    4   10    1 o  1173.11   19.993  3732.00  126.734   0.0000   0.0000  3732.00  126.734  ?   ?   1173.11   19.993      ?      ? 
1 1 1    4   10    2 o  570.870   7.3491  881.410   22.670  878.882   32.016  883.952   32.106  570.049   10.394  571.691   10.393 -1.642029 14.69816 
1 1 1    4   10    3 o  508.096   8.0519  704.523   21.127  677.252   35.201  719.878   26.413  500.243   13.022  515.950   9.4739 -15.70651 16.10370 
1 1 1    4   10    4 o  130.132   6.5776   45.774   4.6253   0.0000   0.0000   45.774   4.6253  ?   ?   130.132   6.5776      ?      ? 
1 1 1    4   10    5 o  831.508   10.256  1870.14   46.080   0.0000   0.0000  1870.14   46.080  ?   ?   831.508   10.256      ?      ? 
1 1 1    4   10    6 o  273.907   5.3265  198.792   6.7832  210.766   13.893  195.044   7.7726  279.173   9.2097  268.640   5.3543 10.53305 10.65304 
1 1 1    4   10    8 o  388.045   5.5690  406.965   11.673  412.724   16.772  401.553   16.257  390.704   7.9442  385.385   7.8066 5.319061 11.13796 
1 1 1    4   10   11 f  194.492   6.4717  102.255   6.8016   0.0000   0.0000  102.255   6.8016  ?   ?   194.492   6.4717      ?      ? 
1 1 1    4   10   14 o  512.108   8.3025  698.527   21.247  739.640   38.694  680.781   25.422  522.550   13.703  501.667   9.3778 20.88275 16.60499 
1 1 1    4   10   15 o  305.748   6.8454  251.433   11.263  268.694   16.890  237.613   15.113  315.131   9.9184  296.365   9.4372 18.76642 13.69071 
1 1 1    4   10   16 o  388.038   7.7404  407.578   16.227  405.405   23.128  409.685   22.774  387.012   11.059  389.064   10.833 -2.051422 15.48073 
1 1 1    4   10   17 o  765.419   13.348  1590.63   55.203  1599.55   78.672  1581.98   77.478  767.514   18.969  763.325   18.784 4.189392 26.69558 
1 1 1    4   10   18 o  402.873   6.8776  436.646   14.231  431.372   17.527  446.847   24.377  399.399   8.1212  406.346   11.102 -6.946777 13.75512 
1 1 1    4   10   20 o  478.982   9.0458  620.472   23.413   0.0000   0.0000  620.472   23.413  ?   ?   478.982   9.0458      ?      ? 
1 1 1    4   10   21 o  387.324   5.5737  405.377   11.659  412.066   16.817  399.185   16.180  390.396   7.9716  384.252   7.7923 6.144379 11.14749 
1 1 1    4   10   22 o  774.828   9.5701  1625.10   40.069  1617.62   56.510  1632.66   56.823  773.037   13.528  776.620   13.540 -3.582886 19.14024 
1 1 1    4   10   23 o  872.263   10.676  2060.18   50.321  2066.00   71.498  2054.46   70.836  873.479   15.148  871.048   15.049 2.431091 21.35284 
1 1 1    4   10   24 o  804.888   9.9084  1753.01   43.086  1770.89   61.672  1735.97   60.221  808.886   14.109  800.890   13.915 7.995483 19.81686 
1 1 1    4   10   25 o  575.448   10.451  895.463   32.497   0.0000   0.0000  895.463   32.497  ?   ?   575.448   10.451      ?      ? 
1 1 1    4   10   26 o  1772.07   21.140  8543.40  202.422  8573.81  287.527  8513.52  285.024  1775.17   29.975  1768.98   29.818 6.188232 42.27950 
1 1 1    4   10   27 o  1215.31   14.607  4004.18   95.911  4042.85  137.146  3967.17  134.179  1221.02   20.786  1209.59   20.529 11.42847 29.21440 
1 1 1    4   10   28 o  426.688   12.430  492.568   28.660   0.0000   0.0000  492.568   28.660  ?   ?   426.688   12.430      ?      ? 
1 1 1    4   10   29 o  596.443   9.5040  964.638   28.801  956.982   50.045  968.430   35.217  594.506   15.578  598.380   10.892 -3.873413 19.00807 
1 1 1    4   10   30 o  854.417   14.970  1980.54   69.112  1971.85   97.216  1989.41   98.269  852.534   21.103  856.301   21.237 -3.766785 29.93922 
1 1 1    4   10   31 o  564.017   10.656  861.096   32.464  846.396   45.170  876.802   46.689  559.051   14.952  568.983   15.185 -9.932129 21.31135 
1 1 1    4   10   32 o  291.210   8.0998  229.012   12.725  221.712   17.409  237.387   18.646  286.244   11.255  296.175   11.651 -9.930359 16.19952 
1 1 1    4   10   33 o  627.733   9.9785  1067.53   31.722  1066.22   55.559  1068.16   38.640  627.187   16.393  628.279   11.381 -1.091919 19.95694 
1 1 1    4   10   34 o  634.981   8.1543  1090.27   27.965  1064.21   38.791  1118.48   40.351  627.093   11.447  642.868   11.616 -15.77423 16.30855 
1 1 1    4   10   35 f   80.906   12.047   18.245   5.1020   22.338   7.5439   14.795   6.9263   89.397   16.214   72.414   17.821 16.98221 24.09324 
1 1 1    4   10   37 o  789.307   9.8385  1688.65   41.959  1671.47   58.844  1706.42   59.845  785.232   13.868  793.382   13.959 -8.150574 19.67700 
1 1 1    4   10   38 o  318.314   5.7182  272.882   9.8107  248.467   13.414  300.959   14.385  303.069   8.1911  333.560   7.9810 -30.49149 11.43640 
1 1 1    4   10   39 f  875.611   10.836  2079.92   51.225  2031.03   70.684  2134.00   74.342  864.843   15.125  886.378   15.521 -21.53558 21.67193 
1 1 1    4   10   40 f  728.232   9.1882  1439.18   36.156  1441.32   51.331  1437.06   50.934  728.760   13.035  727.703   12.953 1.057129 18.37637 
1 1 1    4   10   41 o  429.676   6.3141  499.888   14.657  502.782   20.977  497.128   20.488  430.882   9.0093  428.470   8.8491 2.411957 12.62828 
1 1 1    4   10   42 o  565.421   7.5187  867.025   22.972  860.714   32.405  873.401   32.570  563.351   10.645  567.492   10.621 -4.141602 15.03736 
1 1 1    4   10   43 o  139.473   8.4850   50.220   6.2028   64.279   10.449   42.569   7.7080  153.752   12.576  125.193   11.394 28.55889 16.97005 
1 1 1    4   10   44 o  589.823   7.7844  944.677   24.802  926.996   34.531  963.519   35.647  584.145   10.940  595.500   11.078 -11.35480 15.56888 
1 1 1    4   10   45 o  256.332   6.3096  178.952   8.5694  181.756   11.127  174.865   13.434  258.922   7.9530  253.742   9.7976 5.180634 12.61919 
1 1 1    4   10   46 o   68.522   12.748   13.381   4.7943   14.856   6.8846   11.992   6.6803   72.027   17.793   65.017   18.261 7.009918 25.49635 
1 1 1    4   10   47 o  192.195   5.9746  100.248   6.2012  101.225   8.9447   99.344   8.6049  193.083   8.5730  191.308   8.3239 1.774826 11.94922 
1 1 1    4   10   48 o  246.134   5.5681  164.477   7.4029  165.549   10.633  163.467   10.313  246.898   7.9697  245.370   7.7781 1.527527 11.13621 
1 1 1    4   10   49 o  215.543   5.6841  126.383   6.6152  122.350   9.4346  130.283   9.2780  212.127   8.2308  218.960   7.8415 -6.832840 11.36817 
1 1 1    4   10   50 o  261.429   5.5308  185.839   7.8078  185.050   11.242  186.574   10.852  260.861   7.9754  261.998   7.6652 -1.136322 11.06170 
1 1 1    4   10   51 o  208.490   7.3645  117.558   8.2471  133.581   12.499  105.203   10.976  220.908   10.470  196.071   10.359 24.83771 14.72893 
1 1 1    4   10   52 o  323.618   7.5274  287.136   13.154  293.018   19.032  281.757   18.201  326.725   10.780  320.510   10.509 6.214874 15.05479 
1 1 1    4   10   53 o  270.789   6.5016  201.360   9.3305  204.532   12.127  196.757   14.608  273.761   8.1975  267.817   10.094 5.943787 13.00322 
1 1 1    4   10   54 o   78.011   12.003   17.934   4.9119   16.834   7.1380   18.922   6.7697   75.441   17.798   80.581   16.110 -5.139641 24.00614 
1 1 1    4   10   55 o  279.711   5.6546  213.791   8.5288  216.911   12.511  211.082   11.657  281.518   8.2241  277.904   7.7628 3.613953 11.30920 
1 1 1    4   10   56 o  281.598   5.6580  217.176   8.5998  219.205   12.488  215.347   11.860  282.763   8.1732  280.433   7.8264 2.330505 11.31609 
1 1 1    4   10   57 o  163.462   6.6398   73.775   5.8488   72.277   8.5417   75.097   8.0254  161.761   9.7719  165.163   8.9922 -3.401993 13.27967 
1 1 1    4   10   58 o   48.400   12.727   4.6250   4.8931  -1.3102   7.1353   9.8938   6.7228   38.774   17.177   58.027   18.785 -19.25236 25.45467 
1 1 1    4   10   59 o   59.639   13.753   10.640   5.0837   10.376   7.5400   10.859   6.8836   59.242   19.923   60.036   18.964 -0.7938118 27.50606 
1 1 1    4   10   60 o  147.879   7.3412   60.731   5.8526   64.869   8.6439   57.229   7.9530  152.462   10.492  143.297   10.271 9.164841 14.68234 
1 1 1    4   10   61 o  130.474   8.1079   47.494   5.6643   57.436   8.5021   39.560   7.5954  142.818   11.017  118.130   11.899 24.68894 16.21579 
1 1 1    4   10   62 o   59.514   15.900   7.6394   6.6135   3.3143   7.8452   18.261   12.294   45.915   19.110   73.112   25.417 -27.19738 31.79986 
1 1 1    4   10   63 o  121.213   14.987   48.744   9.3221   36.802   13.467   59.730   12.917  102.389   24.640  140.036   17.069 -37.64767 29.97453 
1 1 1    4   10   64 o   56.026   16.910   5.7143   9.0379   5.9482   12.438   5.4527   13.155   55.868   23.706   56.184   24.122 -0.3155022 33.82077 
1 1 1    4   10   65 o  210.109   6.6918  125.525   7.5721  136.062   11.287  116.902   10.211  217.927   9.5848  202.291   9.3411 15.63643 13.38370 
1 1 1    4   10   66 o   55.418   14.186   9.7922   5.8486   4.0734   8.9816   14.002   7.7064   47.085   20.066   63.752   20.057 -16.66669 28.37100 
1 1 1    4   10   67 o  142.864   8.4989   60.114   6.5059   69.415   10.015   53.324   8.5572  152.074   12.188  133.654   11.848 18.41985 16.99787 
1 1 1    4   11    0 o  709.888   8.8770  1363.95   34.052  1364.64   48.256  1363.27   48.058  710.065   12.577  709.711   12.531 0.3543091 17.75405 
1 1 1    4   11    2 o  862.438   12.132  2029.96   49.591  1987.61   96.711  2045.07   57.762  855.602   20.918  869.273   12.297 -13.67102 24.26463 
1 1 1    4   11    3 o  474.061   7.3807  607.567   18.907   0.0000   0.0000  607.567   18.907  ?   ?   474.061   7.3807      ?      ? 
1 1 1    4   11    4 o  198.839   7.8813  106.899   8.4682   0.0000   0.0000  106.899   8.4682  ?   ?   198.839   7.8813      ?      ? 
1 1 1    4   11    5 o  1015.20   12.301  2789.50   67.480   0.0000   0.0000  2789.50   67.480  ?   ?   1015.20   12.301      ?      ? 
1 1 1    4   11    6 o  162.269   5.6972   73.135   4.6927   65.293   7.9338   77.355   5.8199  155.373   9.4497  169.165   6.3667 -13.79262 11.39436 
1 1 1    4   11    7 o  236.208   4.7771  150.853   6.0963  149.123   8.6689  152.545   8.5749  234.866   6.8305  237.549   6.6802 -2.682983 9.554102 
1 1 1    4   11    8 o  828.195   10.201  1844.61   45.389  1977.85   68.781  1741.83   60.410  854.427   14.897  801.964   13.940 52.46350 20.40217 
1 1 1    4   11    9 o  303.294   10.421  248.874   17.080  248.874   17.080   0.0000   0.0000  303.294   10.421  ?   ?       ?      ? 
1 1 1    4   11   10 o  523.374   9.7688  741.494   27.618  725.676   38.462  758.333   39.684  517.620   13.751  529.127   13.879 -11.50696 19.53761 
1 1 1    4   11   11 o  553.838   10.198  828.618   30.464  792.342   41.565  870.721   44.779  540.801   14.223  566.875   14.618 -26.07410 20.39626 
1 1 1    4   11   12 o  751.320   13.199  1532.43   53.578  1544.37   76.514  1520.95   75.049  754.169   18.775  748.471   18.556 5.697998 26.39757 
1 1 1    4   11   13 o  771.396   13.505  1615.76   56.272  1638.06   80.868  1594.82   78.354  776.518   19.273  766.275   18.923 10.24316 27.00937 
1 1 1    4   11   14 o  213.162   6.6566  121.938   7.6212  131.644   11.573  114.505   10.127  220.584   9.7088  205.740   9.1094 14.84326 13.31323 
1 1 1    4   11   15 o  407.034   11.360  448.423   24.987   0.0000   0.0000  448.423   24.987  ?   ?   407.034   11.360      ?      ? 
1 1 1    4   11   16 o  847.699   10.419  1946.73   47.722  1926.13   66.827  1968.17   68.171  843.135   14.668  852.264   14.803 -9.129150 20.83894 
1 1 1    4   11   17 o  377.435   7.7846  385.198   15.877   0.0000   0.0000  385.198   15.877  ?   ?   377.435   7.7846      ?      ? 
1 1 1    4   11   20 o  595.513   10.814  959.327   34.799   0.0000   0.0000  959.327   34.799  ?   ?   595.513   10.814      ?      ? 
1 1 1    4   11   21 o  187.963   4.8820   95.317   4.9495   98.390   7.2653   92.655   6.7611  190.782   7.0474  185.143   6.7581 5.639496 9.764052 
1 1 1    4   11   22 o  950.325   11.586  2444.02   59.461  2390.15   82.341  2502.72   85.957  939.415   16.221  961.235   16.549 -21.81946 23.17267 
1 1 1    4   11   23 o  707.677   8.8557  1354.87   33.864  1353.93   47.982  1355.81   47.801  707.430   12.552  707.925   12.496 -0.4952393 17.71132 
1 1 1    4   11   24 o  1080.60   13.078  3163.16   76.360  3175.33  108.647  3151.27  107.342  1082.64   18.571  1078.56   18.418 4.085815 26.15566 
1 1 1    4   11   25 o  699.344   8.7780  1323.04   33.171  1324.51   47.118  1321.59   46.708  699.727   12.461  698.961   12.366 0.7659912 17.55608 
1 1 1    4   11   26 o  593.640   7.6566  953.117   24.561  948.072   34.733  958.164   34.736  592.067   10.856  595.213   10.800 -3.145874 15.31324 
1 1 1    4   11   27 o  758.150   11.604  1561.35   44.963  1571.26   55.346  1542.12   77.112  761.993   13.441  754.308   18.918 7.685181 23.20731 
1 1 1    4   11   28 o  1000.96   15.015  2703.24   75.873  2677.14   91.926  2759.01  134.388  994.127   17.112  1007.80   24.677 -13.67340 30.03003 
1 1 1    4   11   29 o  313.236   8.0691  265.103   13.646  281.306   19.647  250.000   18.968  322.477   11.275  303.995   11.547 18.48215 16.13825 
1 1 1    4   11   30 o  547.151   10.427  810.244   30.814  795.721   42.782  825.901   44.420  542.071   14.605  552.231   14.886 -10.15985 20.85431 
1 1 1    4   11   31 o  482.010   9.6512  628.213   25.111  610.360   34.551  648.198   36.557  474.777   13.467  489.243   13.828 -14.46609 19.30248 
1 1 1    4   11   32 o  495.055   6.8174  661.792   18.222  634.685   25.155  691.721   26.431  484.408   9.6099  505.702   9.6724 -21.29413 13.63471 
1 1 1    4   11   33 o  432.964   6.2941  506.833   14.723  495.617   20.632  518.472   21.017  428.083   8.9192  437.844   8.8833 -9.761108 12.58828 
1 1 1    4   11   34 o  862.311   10.649  2015.19   49.619  2000.47   69.848  2030.18   70.500  859.136   15.045  865.486   15.075 -6.350647 21.29801 
1 1 1    4   11   35 o  680.276   8.6904  1252.85   31.944  1239.49   44.873  1266.57   45.484  676.602   12.273  683.950   12.307 -7.348022 17.38082 
1 1 1    4   11   36 o  227.189   5.8775  139.850   7.2015  130.640   10.230  148.899   10.140  219.751   8.6150  234.627   7.9975 -14.87610 11.75494 
1 1 1    4   11   37 o  234.853   5.7972  149.312   7.3503  146.112   10.553  152.327   10.243  232.400   8.4037  237.306   7.9880 -4.905716 11.59439 
1 1 1    4   11   38 o  245.388   5.8133  161.853   7.6821  177.121   11.444  149.327   10.365  255.850   8.2773  234.925   8.1647 20.92534 11.62652 
1 1 1    4   11   39 o  698.607   12.530  1324.04   47.300   0.0000   0.0000  1324.04   47.300  ?   ?   698.607   12.530      ?      ? 
1 1 1    4   11   40 o  349.504   5.8496  330.573   11.045  321.160   15.484  340.323   15.760  344.436   8.3195  354.571   8.2254 -10.13480 11.69916 
1 1 1    4   11   41 o  570.434   10.670  882.422   32.889   0.0000   0.0000  882.422   32.889  ?   ?   570.434   10.670      ?      ? 
1 1 1    4   11   42 o  565.818   7.5213  868.854   22.996  865.946   32.530  871.758   32.513  564.867   10.657  566.769   10.616 -1.902405 15.04268 
1 1 1    4   11   43 o  456.896   6.6024  565.098   16.273  584.528   23.865  548.212   22.247  464.188   9.5142  449.604   9.1569 14.58389 13.20490 
1 1 1    4   11   44 o  135.873   8.8176   48.669   6.1492   55.405   10.783   45.422   7.4858  142.473   14.006  129.272   10.716 13.20143 17.63519 
1 1 1    4   11   45 o  323.135   6.5808  283.872   11.212  284.654   14.377  282.658   17.914  323.898   8.2141  322.372   10.284 1.525360 13.16152 
1 1 1    4   11   46 f  336.485   6.6642  307.123   11.723  305.471   14.796  309.910   19.215  335.515   8.1612  337.456   10.537 -1.940948 13.32832 
1 1 1    4   11   47 o   40.307   11.358  -3.5862   4.8011 -16.5410   7.0648   7.5311   6.5446   26.423   13.099   54.191   18.560 -27.76849 22.71696 
1 1 1    4   11   48 o   61.528   11.525   8.1603   4.8300   21.209   7.3097  -1.9519   6.4349   86.231   16.284   36.824   16.313 49.40733 23.04945 
1 1 1    4   11   49 o  269.342   10.659  198.221   15.514  198.221   15.514   0.0000   0.0000  269.342   10.659  ?   ?       ?      ? 
1 1 1    4   11   50 o  302.965   7.4411  250.721   12.155  256.531   17.872  245.721   16.581  306.125   10.804  299.805   10.235 6.319672 14.88210 
1 1 1    4   11   51 o  102.906   11.343   29.487   6.2722   30.608   9.4499   28.604   8.3856  104.497   16.735  101.314   15.317 3.182259 22.68668 
1 1 1    4   11   52 o  156.264   10.033   66.939   8.4716   66.939   8.4716   0.0000   0.0000  156.264   10.033  ?   ?       ?      ? 
1 1 1    4   11   53 o  295.575   5.6910  238.631   9.0852  229.371   12.808  248.010   12.890  289.750   8.1801  301.400   7.9143 -11.64944 11.38200 
1 1 1    4   11   54 o   66.307   12.886   13.197   5.1103   6.5588   7.5949   18.689   6.9078   52.778   19.752   79.836   16.556 -27.05822 25.77249 
1 1 1    4   11   55 o  100.573   10.371   28.343   5.3225   39.567   8.1108   19.854   7.0537  119.022   12.611   82.124   16.468 36.89793 20.74195 
1 1 1    4   11   56 o  190.117   6.2462   99.583   6.3929   96.687   9.3736  102.102   8.7413  187.365   9.2582  192.869   8.3873 -5.503983 12.49247 
1 1 1    4   11   57 o  111.859   9.1641   34.592   5.3256   49.636   8.1137   23.205   7.0590  133.411   11.255   90.307   14.465 43.10426 18.32816 
1 1 1    4   11   58 o  159.084   6.9994   70.513   5.9921   66.389   8.7012   74.233   8.2639  154.409   10.428  163.759   9.3388 -9.349701 13.99876 
1 1 1    4   11   59 o   95.408   10.960   26.730   5.4820   25.833   8.1537   27.470   7.4056   92.802   16.882   98.015   13.982 -5.213005 21.92016 
1 1 1    4   11   60 o  122.639   8.6234   42.032   5.6528   51.700   8.5067   34.388   7.5644  135.353   11.631  109.924   12.735 25.42900 17.24672 
1 1 1    4   11   61 o   50.896   13.695   6.3591   5.2286   8.6139   7.7752   4.4978   7.0644   55.165   20.101   46.628   18.605 8.537457 27.38955 
1 1 1    4   11   62 o  114.153   15.947   43.898   9.4878   43.041   13.347   44.775   13.489  112.878   22.670  115.428   22.435 -2.550285 31.89431 
1 1 1    4   11   63 o   94.557   17.972   31.684   9.3829   32.320   13.202   31.036   13.337   95.777   25.177   93.338   25.651 2.439529 35.94305 
1 1 1    4   11   64 o   85.412   17.725   27.308   9.3981   16.275   13.377   38.063   13.207   67.539   25.995  103.285   24.103 -35.74672 35.44957 
1 1 1    4   11   65 o  194.135   7.0075  107.820   7.3305  109.604   10.809  106.300   9.9748  195.242   10.245  193.028   9.5631 2.214310 14.01495 
1 1 1    4   11   66 o  206.292   6.8105  122.782   7.5477  116.772   11.095  127.958   10.298  200.787   10.226  211.798   8.9976 -11.01062 13.62097 
1 1 1    4   12    0 o  589.091   10.653  937.693   33.844  902.252   46.118  979.054   49.821  577.092   14.789  601.091   15.339 -23.99835 21.30686 
1 1 1    4   12    1 o  654.321   11.642  1160.44   41.157  1174.10   58.784  1147.30   57.643  658.089   16.530  650.552   16.397 7.536865 23.28364 
1 1 1    4   12    2 o  241.680   6.2217  157.993   8.1238  160.225   11.438  155.721   11.540  243.406   8.6966  239.954   8.8998 3.451263 12.44333 
1 1 1    4   12    3 o  354.810   7.6433  340.384   14.654   0.0000   0.0000  340.384   14.654  ?   ?   354.810   7.6433      ?      ? 
1 1 1    4   12    4 f  740.850   13.046  1486.14   52.227   0.0000   0.0000  1486.14   52.227  ?   ?   740.850   13.046      ?      ? 
1 1 1    4   12    5 o  672.437   11.975  1223.96   43.512   0.0000   0.0000  1223.96   43.512  ?   ?   672.437   11.975      ?      ? 
1 1 1    4   12    7 o  113.790   8.3668   35.017   5.1446   0.0000   0.0000   35.017   5.1446  ?   ?   113.790   8.3668      ?      ? 
1 1 1    4   12    8 o  360.353   7.9116  351.329   15.390  354.279   22.308  348.649   21.260  361.783   11.411  358.922   10.962 2.861237 15.82311 
1 1 1    4   12    9 o  428.133   8.6565  495.703   20.006  509.009   29.104  483.784   27.545  433.559   12.423  422.706   12.059 10.85236 17.31302 
1 1 1    4   12   10 o  373.321   11.232  377.252   22.658   0.0000   0.0000  377.252   22.658  ?   ?   373.321   11.232      ?      ? 
1 1 1    4   12   11 o  615.181   7.8949  1023.19   26.221  1051.06   38.058  997.997   36.178  623.135   11.303  607.227   11.026 15.90717 15.78975 
1 1 1    4   12   12 o  459.168   6.3199  570.232   15.679  572.845   22.356  567.703   21.996  460.200   8.9900  458.136   8.8851 2.063873 12.63984 
1 1 1    4   12   13 o  380.063   5.6201  390.211   11.534  400.681   16.695  380.652   15.953  384.932   8.0265  375.194   7.8689 9.737976 11.24028 
1 1 1    4   12   15 o  465.811   9.0180  586.853   22.699   0.0000   0.0000  586.853   22.699  ?   ?   465.811   9.0180      ?      ? 
1 1 1    4   12   17 o  1240.13   14.938  4175.21  100.103  4156.29  140.935  4194.47  142.206  1237.31   21.079  1242.95   21.173 -5.643311 29.87669 
1 1 1    4   12   19 o  765.119   13.467  1584.55   55.679   0.0000   0.0000  1584.55   55.679  ?   ?   765.119   13.467      ?      ? 
1 1 1    4   12   20 o  686.245   8.6649  1273.48   32.120  1248.78   44.715  1299.81   46.170  679.379   12.180  693.111   12.327 -13.73212 17.32972 
1 1 1    4   12   22 o  260.719   5.0703  183.705   7.1346  184.230   10.353  183.230   9.8460  261.071   7.3386  260.367   6.9982 0.7043457 10.14053 
1 1 1    4   12   23 o  711.794   8.9466  1368.17   34.369  1323.62   47.209  1418.40   50.134  699.500   12.490  724.088   12.813 -24.58807 17.89318 
1 1 1    4   12   24 o  318.848   7.3226  274.802   12.616   0.0000   0.0000  274.802   12.616  ?   ?   318.848   7.3226      ?      ? 
1 1 1    4   12   25 o  655.181   10.379  1138.54   33.766  1104.29   40.158  1221.17   62.379  638.935   11.631  671.428   17.193 -32.49377 20.75774 
1 1 1    4   12   26 o  203.031   8.1082  111.448   8.8934  114.302   12.744  108.739   12.416  205.563   11.473  200.499   11.460 5.064499 16.21638 
1 1 1    4   12   27 o  272.535   7.8151  200.305   11.490  211.464   16.851  190.608   15.708  279.605   11.153  265.465   10.950 14.14069 15.63021 
1 1 1    4   12   28 o  987.238   17.126  2647.89   91.342  2617.12  127.659  2680.18  130.750  981.396   24.072  993.080   24.365 -11.68451 34.25109 
1 1 1    4   12   29 o  411.553   8.8722  458.352   19.728  453.378   27.644  463.513   28.164  409.281   12.499  413.825   12.595 -4.543884 17.74433 
1 1 1    4   12   30 o  279.221   5.5559  211.023   8.3703  206.180   12.090  215.482   11.600  276.134   8.1026  282.309   7.6040 -6.174286 11.11184 
1 1 1    4   12   31 o  458.680   6.5257  568.974   16.172  570.601   23.096  567.411   22.651  459.319   9.3054  458.041   9.1514 1.277924 13.05137 
1 1 1    4   12   32 o  930.751   11.419  2348.20   57.429  2327.55   80.641  2369.45   81.804  926.607   16.105  934.894   16.193 -8.286682 22.83853 
1 1 1    4   12   33 o  374.928   8.3445  380.164   16.906   0.0000   0.0000  380.164   16.906  ?   ?   374.928   8.3445      ?      ? 
1 1 1    4   12   34 o  416.420   6.3081  468.899   14.192  456.495   19.890  481.763   20.256  410.809   8.9598  422.030   8.8820 -11.22058 12.61622 
1 1 1    4   12   35 o  884.719   10.915  2123.54   52.181  2132.38   74.263  2114.92   73.335  886.522   15.502  882.916   15.371 3.605652 21.83094 
1 1 1    4   12   36 o  803.066   10.023  1746.57   43.455  1697.97   59.947  1800.39   63.082  791.340   14.019  814.792   14.328 -23.45184 20.04519 
1 1 1    4   12   37 o  507.769   7.0119  698.082   19.239  690.597   27.128  705.657   27.288  505.028   9.9407  510.510   9.8920 -5.482239 14.02383 
1 1 1    4   12   38 o  690.295   8.8153  1292.38   32.878  1274.13   46.052  1311.35   46.955  685.334   12.435  695.256   12.498 -9.921997 17.63067 
1 1 1    4   12   39 o  509.769   7.0256  704.086   19.351  701.687   27.511  706.436   27.225  508.899   10.004  510.638   9.8665 -1.738861 14.05114 
1 1 1    4   12   40 o  310.748   5.7144  261.222   9.5819  265.578   13.976  257.359   13.163  313.176   8.2584  308.321   7.9004 4.855011 11.42881 
1 1 1    4   12   41 f  323.855   5.7650  284.056   10.085  285.948   14.489  282.279   14.045  324.891   8.2531  322.820   8.0516 2.070465 11.53003 
1 1 1    4   12   42 o  545.010   7.3588  806.393   21.671  806.826   30.777  805.968   30.520  545.144   10.448  544.875   10.366 0.2695923 14.71761 
1 1 1    4   12   43 o  243.319   5.7868  160.830   7.5931  152.732   10.896  168.475   10.587  237.320   8.4966  249.318   7.8584 -11.99779 11.57354 
1 1 1    4   12   44 o  528.563   8.7333  770.170   23.849  733.108   39.552  791.342   29.894  517.693   14.139  539.433   10.256 -21.74017 17.46660 
1 1 1    4   12   45 o  251.314   6.6989  172.888   8.6431  167.545   14.608  175.766   10.721  248.071   10.897  254.558   7.7941 -6.486984 13.39778 
1 1 1    4   12   46 o  277.510   6.4483  207.523   9.4364  201.216   12.009  217.703   15.257  272.218   8.1640  282.802   9.9836 -10.58417 12.89665 
1 1 1    4   12   47 o  124.956   8.3948   42.157   5.5669   54.748   8.3684   32.162   7.4560  141.591   10.937  108.320   12.738 33.27149 16.78966 
1 1 1    4   12   48 o  220.724   7.5468  134.044   8.9323  122.432   13.081  144.189   12.227  211.521   11.444  229.926   9.8409 -18.40547 15.09360 
1 1 1    4   12   49 o  105.688   12.767   35.582   6.5761   16.716   9.9137   50.405   8.7878   75.849   22.539  135.528   12.000 -59.67853 25.53445 
1 1 1    4   12   50 o  137.366   8.1339   51.553   6.0075   44.854   8.1867   59.369   8.8429  127.680   11.866  147.053   11.128 -19.37336 16.26776 
1 1 1    4   12   51 o  182.716   6.2836   90.970   6.1898   94.690   9.1309   87.807   8.4197  186.119   9.0789  179.314   8.6895 6.805008 12.56724 
1 1 1    4   12   52 o  258.058   5.7298  181.771   7.9806  182.665   11.583  180.964   11.011  258.599   8.2892  257.517   7.9129 1.082977 11.45968 
1 1 1    4   12   53 o  261.323   5.7280  186.311   8.0650  192.178   11.940  181.388   10.937  265.005   8.3382  257.641   7.8558 7.363434 11.45597 
1 1 1    4   12   54 o  177.029   6.5777   86.503   6.2453   82.975   9.3057   89.394   8.4244  173.521   9.9245  180.537   8.6354 -7.016495 13.15548 
1 1 1    4   12   55 o  158.585   9.5104   69.320   8.1498   0.0000   0.0000   69.320   8.1498  ?   ?   158.585   9.5104      ?      ? 
1 1 1    4   12   56 o  177.206   6.7193   87.192   6.3944   77.844   9.1688   96.044   8.9223  167.650   10.121  186.762   8.8410 -19.11201 13.43869 
1 1 1    4   12   57 o  244.464   5.9496  164.967   7.8381  157.503   11.337  171.802   10.849  238.948   8.7802  249.979   8.0312 -11.03062 11.89925 
1 1 1    4   12   58 o  152.897   7.4304   66.102   6.0504   56.412   8.8378   74.649   8.3005  141.706   11.542  164.088   9.3614 -22.38211 14.86088 
1 1 1    4   12   59 o  301.589   5.9017  250.887   9.5994  252.941   14.039  249.083   13.155  302.563   8.5868  300.615   8.0985 1.948151 11.80335 
1 1 1    4   12   60 o   68.764   13.777   14.466   5.5350   20.641   8.2583   9.4291   7.4580   80.952   19.174   56.575   19.789 24.37715 27.55460 
1 1 1    4   12   61 o  197.370   6.8726  109.771   7.2928   98.175   10.363  121.147   10.265  186.564   10.280  208.177   9.1248 -21.61272 13.74522 
1 1 1    4   12   62 o  112.771   15.913   42.203   9.4941   32.207   13.099   53.266   13.781   95.354   25.084  130.187   19.589 -34.83253 31.82694 
1 1 1    4   12   63 o  182.225   11.826  100.228   11.625  103.063   17.020   97.748   15.917  184.198   17.099  180.251   16.341 3.946930 23.65230 
1 1 1    4   12   64 o  199.614   8.9161  117.975   8.7146  122.140   16.124  116.256   10.358  197.896   15.078  201.332   9.5207 -3.436218 17.83211 
1 1 1    4   12   65 o   81.415   21.122   23.410   9.3722   23.410   9.3722   0.0000   0.0000   81.415   21.122  ?   ?       ?      ? 
1 1 1    4   13    0 o  429.554   7.3202  506.936   16.466  466.216   26.203  533.510   21.168  414.990   11.685  444.119   8.8204 -29.12851 14.64031 
1 1 1    4   13    1 o  783.001   11.808  1677.20   47.859  1613.06   79.306  1713.94   60.020  770.655   19.044  795.348   13.965 -24.69324 23.61585 
1 1 1    4   13    2 o  318.565   6.1442  276.030   10.119  269.144   16.882  279.892   12.642  315.394   9.9059  321.736   7.2717 -6.341766 12.28839 
1 1 1    4   13    3 o  804.746   11.534  1753.17   50.155   0.0000   0.0000  1753.17   50.155  ?   ?   804.746   11.534      ?      ? 
1 1 1    4   13    4 o  407.602   8.1143  449.316   17.872   0.0000   0.0000  449.316   17.872  ?   ?   407.602   8.1143      ?      ? 
1 1 1    4   13    5 o  250.309   6.6998  169.394   9.0621   0.0000   0.0000  169.394   9.0621  ?   ?   250.309   6.6998      ?      ? 
1 1 1    4   13    6 o  226.941   6.5818  139.239   8.0714   0.0000   0.0000  139.239   8.0714  ?   ?   226.941   6.5818      ?      ? 
1 1 1    4   13    7 o  582.312   9.1967  915.911   27.148  925.450   47.595  911.311   33.051  584.313   15.074  580.311   10.540 4.001953 18.39346 
1 1 1    4   13    8 o  969.076   11.819  2546.84   61.888  2528.03   86.864  2566.23   88.197  965.458   16.650  972.695   16.780 -7.237427 23.63883 
1 1 1    4   13    9 o  708.309   8.9076  1358.32   34.092  1365.81   48.531  1351.02   47.901  710.231   12.645  706.386   12.549 3.844666 17.81527 
1 1 1    4   13   10 o  395.431   5.8264  421.360   12.418  443.095   18.374  403.082   16.849  404.778   8.4003  386.084   8.0762 18.69479 11.65287 
1 1 1    4   13   11 o  367.472   5.5855  365.023   11.089  370.669   15.884  359.655   15.488  370.241   7.9393  364.702   7.8588 5.539307 11.17108 
1 1 1    4   13   12 o  975.678   11.911  2580.80   62.786  2552.37   87.915  2610.40   89.699  970.210   16.769  981.146   16.919 -10.93652 23.82104 
1 1 1    4   13   13 o  277.182   5.1389  207.705   7.6962  208.223   10.972  207.202   10.798  277.521   7.3167  276.842   7.2180 0.6787415 10.27780 
1 1 1    4   13   14 o  712.352   8.9462  1373.44   34.437  1368.02   48.604  1378.92   48.798  710.939   12.652  713.765   12.652 -2.826294 17.89243 
1 1 1    4   13   16 o  497.576   6.7461  669.006   18.130  652.007   25.174  687.323   26.132  491.017   9.4879  504.134   9.5927 -13.11746 13.49225 
1 1 1    4   13   17 o   89.809   12.121   21.823   5.8822   0.0000   0.0000   21.823   5.8822  ?   ?    89.809   12.121      ?      ? 
1 1 1    4   13   19 o  618.934   7.9823  1036.01   26.695  1024.84   37.501  1047.49   38.009  615.552   11.274  622.316   11.303 -6.763733 15.96453 
1 1 1    4   13   20 o  842.279   10.395  1919.78   47.306  1901.86   66.363  1938.29   67.452  838.290   14.650  846.268   14.750 -7.978760 20.78939 
1 1 1    4   13   21 o  1102.01   13.356  3274.49   79.229  3121.28  106.579  3463.75  118.454  1073.41   18.375  1130.60   19.389 -57.18579 26.71246 
1 1 1    4   13   22 o  602.359   9.5733  990.262   29.729  1010.90   37.083  953.153   49.732  611.359   11.225  593.360   15.511 17.99969 19.14655 
1 1 1    4   13   23 o  883.993   15.439  2119.59   73.735  2095.50  103.096  2144.82  105.500  878.872   21.708  889.114   21.959 -10.24127 30.87785 
1 1 1    4   13   24 o  627.486   11.513  1061.98   38.926  1012.16   52.691  1121.85   57.758  611.379   15.949  643.593   16.608 -32.21411 23.02593 
1 1 1    4   13   25 o  629.824   11.580  1073.57   39.391  1096.85   56.814  1052.03   54.662  636.380   16.522  623.269   16.230 13.11108 23.16004 
1 1 1    4   13   26 o  532.863   10.229  767.890   29.430  788.288   42.636  749.324   40.675  539.605   14.622  526.122   14.307 13.48236 20.45735 
1 1 1    4   13   27 f  694.416   10.848  1300.42   38.004  1321.85   67.344  1290.41   46.034  698.292   17.847  690.539   12.337 7.753113 21.69611 
1 1 1    4   13   28 o  737.045   9.3049  1468.94   37.032  1425.11   51.188  1517.08   53.640  725.533   13.056  748.556   13.261 -23.02246 18.60979 
1 1 1    4   13   29 o  320.391   7.9402  277.555   13.747   0.0000   0.0000  277.555   13.747  ?   ?   320.391   7.9402      ?      ? 
1 1 1    4   13   30 f  848.163   14.840  1948.79   68.013   0.0000   0.0000  1948.79   68.013  ?   ?   848.163   14.840      ?      ? 
1 1 1    4   13   31 o  104.082   10.122   29.304   5.6304   29.653   8.6488   29.048   7.4174  104.598   15.302  103.566   13.254 1.032066 20.24383 
1 1 1    4   13   32 f  1100.97   13.391  3288.12   79.614  3213.49  110.220  3369.54  115.124  1087.97   18.748  1113.97   19.125 -25.99573 26.78161 
1 1 1    4   13   33 o  557.739   7.5020  841.674   22.607  826.054   31.694  857.853   32.256  552.471   10.616  563.006   10.602 -10.53448 15.00403 
1 1 1    4   13   34 o  214.198   6.2120  124.027   7.1715  125.591   10.557  122.687   9.7725  215.441   9.0683  212.955   8.4924 2.486191 12.42395 
1 1 1    4   13   35 o  364.964   8.3523  360.342   16.472   0.0000   0.0000  360.342   16.472  ?   ?   364.964   8.3523      ?      ? 
1 1 1    4   13   36 o  704.543   12.639  1346.02   48.117   0.0000   0.0000  1346.02   48.117  ?   ?   704.543   12.639      ?      ? 
1 1 1    4   13   37 o  189.664   6.5343   97.945   6.6489   92.088   9.8318  102.880   9.0256  184.381   9.8680  194.947   8.5679 -10.56667 13.06853 
1 1 1    4   13   38 o  306.328   5.7664  253.428   9.5272  263.125   13.998  245.058   13.004  311.764   8.3088  300.892   7.9982 10.87201 11.53283 
1 1 1    4   13   39 o  215.741   6.0924  125.760   7.0808  129.735   10.495  122.440   9.5929  218.846   8.8751  212.635   8.3489 6.210861 12.18487 
1 1 1    4   13   40 o  272.534   5.7606  200.971   8.4673  204.809   12.413  197.630   11.580  274.947   8.3547  270.122   7.9333 4.825348 11.52120 
1 1 1    4   13   41 f  349.349   5.8498  330.423   11.035  314.002   15.363  347.928   15.862  340.380   8.3525  358.317   8.1923 -17.93732 11.69953 
1 1 1    4   13   42 o  301.487   5.7429  246.576   9.3449  242.632   13.486  250.219   12.961  299.138   8.3433  303.836   7.8940 -4.697571 11.48589 
1 1 1    4   13   43 o  313.202   5.7127  265.889   9.6555  270.205   14.070  262.047   13.275  315.575   8.2508  310.829   7.9034 4.746399 11.42541 
1 1 1    4   13   44 o  296.714   5.6733  239.027   9.0886  233.508   13.027  244.261   12.686  293.345   8.2182  300.084   7.8236 -6.739288 11.34670 
1 1 1    4   13   45 o  323.648   6.9613  288.821   11.570  272.522   19.397  297.823   14.415  316.084   11.356  331.213   8.0544 -15.12830 13.92269 
1 1 1    4   13   46 o  543.651   10.313  813.171   30.263  822.297   43.968  804.955   41.717  546.333   14.893  540.969   14.271 5.364990 20.62684 
1 1 1    4   13   47 o  283.423   7.5954  220.448   11.574  198.514   16.551  241.441   16.192  269.374   11.371  297.473   10.073 -28.09854 15.19071 
1 1 1    4   13   48 o   84.978   14.086   21.993   6.5358   13.975   10.412   27.207   8.3961   70.904   23.401   99.053   15.686 -28.14851 28.17246 
1 1 1    4   13   49 o  137.599   7.5161   51.373   5.5597   57.550   8.3873   46.532   7.4255  144.886   10.713  130.311   10.545 14.57556 15.03222 
1 1 1    4   13   50 o  286.606   5.7311  223.701   8.8603  205.761   12.312  242.973   12.761  274.640   8.2960  298.573   7.9094 -23.93301 11.46223 
1 1 1    4   13   51 o  196.646   6.3290  106.046   6.7000  102.186   9.8003  109.434   9.1805  193.156   9.3895  200.136   8.4889 -6.979874 12.65797 
1 1 1    4   13   52 o  223.955   6.0525  137.251   7.2937  138.053   10.835  136.587   9.8630  224.421   8.9348  223.490   8.1670 0.9308319 12.10496 
1 1 1    4   13   53 o   92.079   11.447   25.636   5.3420   17.338   7.9157   32.577   7.2391   75.969   19.257  108.188   12.383 -32.21854 22.89464 
1 1 1    4   13   54 o  229.210   5.9327  144.408   7.3303  139.992   10.641  148.395   10.112  225.727   8.7243  232.694   8.0419 -6.966858 11.86531 
1 1 1    4   13   55 o  201.077   6.2620  111.515   6.7824  107.637   9.8859  114.964   9.3223  197.596   9.2587  204.558   8.4338 -6.961594 12.52405 
1 1 1    4   13   56 o  290.638   5.8971  232.610   9.2469  229.185   13.400  235.724   12.777  288.428   8.5973  292.847   8.0740 -4.418884 11.79425 
1 1 1    4   13   57 o  258.177   5.9385  183.430   8.2575  188.641   12.251  179.092   11.178  261.354   8.6747  255.001   8.1123 6.353363 11.87692 
1 1 1    4   13   58 o  160.692   7.4403   71.624   6.4342   77.036   9.6462   67.286   8.6362  166.012   10.753  155.372   10.286 10.64003 14.88062 
1 1 1    4   13   59 o  154.150   7.7144   66.765   6.3993   67.815   9.5181   65.898   8.6449  154.995   11.364  153.305   10.436 1.690399 15.42884 
1 1 1    4   13   60 o  289.058   6.0820  231.742   9.4876  238.509   13.843  225.747   13.029  292.898   8.7461  285.218   8.4538 7.679535 12.16390 
1 1 1    4   13   61 o   59.126   17.231   9.0538   8.9426   10.944   12.161   6.8288   13.195   61.125   24.404   57.127   24.333 3.998180 34.46260 
1 1 1    4   13   62 o  274.802   9.8368  219.946   14.602  212.613   20.367  227.703   20.945  270.024   13.958  279.580   13.864 -9.555878 19.67354 
1 1 1    4   13   63 o  169.723   12.289   92.172   11.234   83.896   15.719  100.811   16.061  160.837   18.087  178.609   16.641 -17.77190 24.57732 
1 1 1    4   13   64 o  136.563   8.9792   54.881   6.6084   57.711   9.7850   52.507   8.9608  139.530   12.978  133.596   12.413 5.933517 17.95831 
1 1 1    4   13   65 o   46.570   13.893   4.3963   6.1181   9.2986   9.0256   0.2287   8.3217   52.923   21.057   40.217   18.128 12.70646 27.78541 
1 1 1    4   14    0 o  418.841   8.9800  475.002   20.324  475.676   28.703  474.324   28.783  419.141   12.673  418.541   12.726 0.5996094 17.96001 
1 1 1    4   14    1 o  603.074   11.046  984.252   35.998   0.0000   0.0000  984.252   35.998  ?   ?   603.074   11.046      ?      ? 
1 1 1    4   14    2 o  887.790   15.465  2136.27   74.190   0.0000   0.0000  2136.27   74.190  ?   ?   887.790   15.465      ?      ? 
1 1 1    4   14    6 o  766.419   11.038  1589.57   45.712   0.0000   0.0000  1589.57   45.712  ?   ?   766.419   11.038      ?      ? 
1 1 1    4   14    7 o  522.451   8.4949  734.215   22.405  751.802   39.726  726.013   27.131  526.841   13.954  518.061   9.6916 8.779846 16.98981 
1 1 1    4   14    8 o  696.915   12.435  1317.29   46.827  1323.42   66.527  1311.26   65.923  698.517   17.625  695.312   17.546 3.204895 24.86973 
1 1 1    4   14    9 o  441.554   7.5758  534.326   17.448  555.485   22.211  500.225   28.196  453.204   9.0694  429.904   12.138 23.29996 15.15167 
1 1 1    4   14   10 o  810.658   10.074  1775.43   44.048  1714.89   60.132  1845.52   64.707  795.816   13.983  825.500   14.506 -29.68420 20.14825 
1 1 1    4   14   11 o  129.965   6.6192   45.693   4.6466   47.206   6.5703   44.179   6.5723  132.120   9.2029  127.811   9.5162 4.309700 13.23830 
1 1 1    4   14   12 o  118.371   13.372   37.928   8.5530   0.0000   0.0000   37.928   8.5530  ?   ?   118.371   13.372      ?      ? 
1 1 1    4   14   13 o  548.370   8.9231  809.241   24.836  800.675   30.230  827.027   43.560  544.081   10.282  552.659   14.586 -8.578247 17.84612 
1 1 1    4   14   14 o  115.216   14.991   35.946   9.3332   0.0000   0.0000   35.946   9.3332  ?   ?   115.216   14.991      ?      ? 
1 1 1    4   14   15 o  1176.69   17.481  3747.82  104.145  3720.95  126.606  3804.05  183.148  1171.35   20.002  1182.03   28.674 -10.68420 34.96102 
1 1 1    4   14   16 o  470.625   13.138  599.324   33.412   0.0000   0.0000  599.324   33.412  ?   ?   470.625   13.138      ?      ? 
1 1 1    4   14   17 o  787.455   13.875  1680.53   59.037  1673.20   82.950  1688.06   84.041  785.724   19.537  789.185   19.707 -3.460999 27.75017 
1 1 1    4   14   18 o  1176.87   20.148  3765.35  128.124  3795.04  182.506  3736.49  179.910  1181.42   28.588  1172.32   28.400 9.101807 40.29699 
1 1 1    4   14   19 o  385.768   8.3932  401.500   17.466  385.811   23.866  419.595   25.631  377.680   11.694  393.856   12.043 -16.17609 16.78646 
1 1 1    4   14   20 o  1021.97   17.654  2836.04   97.475  2806.31  136.360  2867.12  139.391  1016.52   24.825  1027.42   25.107 -10.89392 35.30777 
1 1 1    4   14   21 o  130.264   10.380   45.919   7.3043   44.392   10.241   47.500   10.421  128.059   14.800  132.470   14.558 -4.411301 20.75972 
1 1 1    4   14   22 o  140.399   9.6790   52.985   7.3026   45.743   9.9256   61.532   10.783  130.003   14.129  150.795   13.233 -20.79152 19.35808 
1 1 1    4   14   23 o  706.381   10.961  1352.49   39.429  1346.62   68.266  1355.43   48.300  704.976   17.920  707.786   12.629 -2.809631 21.92293 
1 1 1    4   14   24 o  749.614   13.372  1522.97   54.158  1539.86   77.388  1506.76   75.819  753.675   19.002  745.552   18.820 8.122437 26.74432 
1 1 1    4   14   25 o  506.362   14.000  694.144   38.308   0.0000   0.0000  694.144   38.308  ?   ?   506.362   14.000      ?      ? 
1 1 1    4   14   26 o  117.468   12.347   43.979   6.2599   27.140   11.707   50.722   7.4079   97.999   22.573  136.936   10.011 -38.93653 24.69361 
1 1 1    4   14   27 o  341.300   7.2496  321.050   12.586  297.072   21.412  333.708   15.558  331.302   11.961  351.299   8.1957 -19.99704 14.49918 
1 1 1    4   14   28 o  504.420   7.0113  687.924   19.106  670.468   26.689  706.275   27.364  497.859   9.9206  510.981   9.9104 -13.12222 14.02267 
1 1 1    4   14   29 o  757.214   9.5547  1550.23   39.053  1500.91   53.731  1605.47   56.861  744.487   13.356  769.941   13.667 -25.45367 19.10941 
1 1 1    4   14   30 o  451.012   6.6451  550.186   16.193  540.067   22.775  560.531   23.029  446.816   9.4328  455.207   9.3622 -8.390717 13.29012 
1 1 1    4   14   31 o  515.080   7.1778  715.719   19.945  681.338   27.266  755.292   29.252  501.820   10.055  528.339   10.246 -26.51895 14.35565 
1 1 1    4   14   32 o  1030.52   12.609  2881.32   70.164  2811.21   97.001  2958.26  101.615  1017.44   17.643  1043.59   18.019 -26.15686 25.21864 
1 1 1    4   14   33 o  651.671   8.4541  1147.05   29.715  1097.88   40.543  1204.11   43.679  636.650   11.785  666.693   12.124 -30.04266 16.90812 
1 1 1    4   14   34 o  586.278   10.953  930.828   34.698   0.0000   0.0000  930.828   34.698  ?   ?   586.278   10.953      ?      ? 
1 1 1    4   14   35 o  446.283   6.5695  538.753   15.835  517.638   22.034  561.304   22.772  437.245   9.3258  455.321   9.2553 -18.07587 13.13892 
1 1 1    4   14   36 o  317.560   5.8705  272.964   10.053  273.020   14.693  272.915   13.785  317.573   8.5622  317.549   8.0338 0.2392578E-01 11.74108 
1 1 1    4   14   37 o  360.194   6.0045  351.366   11.680  348.356   16.776  354.197   16.271  358.681   8.6555  361.706   8.3246 -3.024200 12.00904 
1 1 1    4   14   38 o  528.656   10.158  757.760   29.018   0.0000   0.0000  757.760   29.018  ?   ?   528.656   10.158      ?      ? 
1 1 1    4   14   39 o  171.546   6.9384   80.282   6.3619   76.354   9.6005   83.358   8.4947  167.728   10.593  175.364   8.9644 -7.635941 13.87674 
1 1 1    4   14   40 o   95.353   11.076   24.650   5.5351   29.429   8.5980   21.268   7.2334  103.815   15.327   86.890   15.995 16.92559 22.15289 
1 1 1    4   14   41 o  532.102   7.2845  769.188   20.944  757.180   29.519  781.360   29.720  527.907   10.348  536.297   10.256 -8.389526 14.56910 
1 1 1    4   14   42 o  345.056   5.9002  322.969   10.995  307.455   15.395  339.117   15.707  336.581   8.4647  353.532   8.2218 -16.95105 11.80044 
1 1 1    4   14   43 o  289.489   5.7638  227.551   9.0037  224.197   13.027  230.619   12.458  287.408   8.3882  291.569   7.9072 -4.161285 11.52761 
1 1 1    4   14   44 o  434.176   8.8099  513.994   20.584  528.378   30.705  502.252   27.741  439.489   12.929  428.864   11.971 10.62534 17.61984 
1 1 1    4   14   45 o  221.801   7.7840  132.825   9.1270  141.554   14.695  127.342   11.646  227.454   11.956  216.147   9.9706 11.30698 15.56794 
1 1 1    4   14   46 o  411.835   8.6151  465.127   19.138  459.910   27.812  469.820   26.377  409.452   12.570  414.218   11.784 -4.766846 17.23013 
1 1 1    4   14   47 o  171.981   7.3030   80.755   6.7730   79.805   9.2627   81.847   9.9288  170.951   10.027  173.012   10.620 -2.061234 14.60594 
1 1 1    4   14   48 o  139.636   8.2169   53.085   6.1299   42.901   8.2812   65.428   9.1170  124.822   12.278  154.450   10.924 -29.62815 16.43382 
1 1 1    4   14   49 o  216.286   6.0587  128.231   7.0479  120.068   10.257  135.532   9.7005  209.609   9.0558  222.963   8.0515 -13.35451 12.11747 
1 1 1    4   14   50 f  343.400   5.9297  321.784   10.991  327.534   15.984  316.627   15.137  346.237   8.5433  340.562   8.2255 5.675598 11.85947 
1 1 1    4   14   51 o   76.492   12.892   16.709   5.3773   24.859   8.2164   10.603   7.1119   92.251   17.112   60.733   19.286 31.51810 25.78330 
1 1 1    4   14   52 o  302.794   5.9253  251.447   9.6793  237.568   13.781  264.959   13.598  294.396   8.6628  311.191   8.0866 -16.79541 11.85059 
1 1 1    4   14   53 o  238.833   5.9531  156.730   7.6679  152.603   11.106  160.490   10.600  235.690   8.7199  241.975   8.1069 -6.285156 11.90624 
1 1 1    4   14   54 o  143.376   7.7226   56.747   5.9594   60.787   8.9256   53.499   8.0050  147.863   11.171  138.889   10.666 8.973694 15.44523 
1 1 1    4   14   55 o  178.058   6.7610   87.324   6.4535   90.738   9.8381   84.746   8.5500  180.874   10.066  175.243   9.0290 5.630814 13.52195 
1 1 1    4   14   56 o  148.462   7.7647   61.104   6.1871   66.073   9.4313   57.349   8.1976  153.536   11.368  143.387   10.580 10.14902 15.52945 
1 1 1    4   14   57 o  193.035   6.6889  102.418   6.9442  113.743   10.451   93.464   9.2922  202.454   9.5529  183.615   9.3653 18.83925 13.37786 
1 1 1    4   14   58 o  239.528   6.2849  159.156   8.1002  159.236   12.015  159.089   10.967  239.293   9.2921  239.763   8.4649 -0.4694061 12.56974 
1 1 1    4   14   59 o  208.195   6.6290  121.082   7.4291  117.569   10.894  124.136   10.157  205.046   9.8320  211.345   8.8941 -6.298828 13.25794 
1 1 1    4   14   60 o  178.046   10.115   93.326   9.0537   93.065   11.003   93.874   15.933  180.498   11.281  175.593   16.792 4.905289 20.22914 
1 1 1    4   14   61 o  289.209   9.9283  244.080   15.496  260.811   22.189  228.153   21.649  299.370   13.717  279.047   14.357 20.32278 19.85656 
1 1 1    4   14   62 o  145.813   13.929   69.086   10.879   76.847   15.257   61.059   15.516  156.072   18.091  135.554   21.183 20.51741 27.85699 
1 1 1    4   14   63 o  183.046   7.7256   97.946   7.5559   88.766   11.158  105.721   10.269  173.931   11.872  192.161   9.8893 -18.22995 15.45121 
1 1 1    4   14   64 o   82.154   13.495   24.397   6.2116   15.618   9.3353   31.372   8.3209   64.354   22.161   99.954   15.406 -35.59966 26.98975 
1 1 1    4   15    0 f  325.132   5.5013  285.773   9.6638  288.042   13.807  283.593   13.531  326.396   7.8281  323.869   7.7317 2.527496 11.00260 
1 1 1    4   15    1 o  456.802   7.6339  570.525   18.076  542.793   29.779  586.706   22.747  447.827   12.306  465.776   9.0375 -17.94949 15.26788 
1 1 1    4   15    2 o  550.094   10.518  818.611   31.264   0.0000   0.0000  818.611   31.264  ?   ?   550.094   10.518      ?      ? 
1 1 1    4   15    3 o  529.594   7.1815  758.220   20.552   0.0000   0.0000  758.220   20.552  ?   ?   529.594   7.1815      ?      ? 
1 1 1    4   15    4 o  385.008   5.9106  400.649   12.297   0.0000   0.0000  400.649   12.297  ?   ?   385.008   5.9106      ?      ? 
1 1 1    4   15    5 o  765.807   13.662  1587.71   56.535   0.0000   0.0000  1587.71   56.535  ?   ?   765.807   13.662      ?      ? 
1 1 1    4   15    6 o  372.680   8.6941  375.559   17.508   0.0000   0.0000  375.559   17.508  ?   ?   372.680   8.6941      ?      ? 
1 1 1    4   15    7 o  204.098   7.1001  112.259   7.8038  108.063   10.533  117.365   11.619  199.892   9.7517  208.305   10.322 -8.413101 14.20017 
1 1 1    4   15    8 o  410.838   8.3469  456.363   18.522  467.568   26.684  445.946   25.730  415.697   11.879  405.979   11.729 9.717865 16.69380 
1 1 1    4   15    9 o  792.691   13.931  1701.54   59.593  1651.58   81.777  1758.11   87.022  780.353   19.393  805.029   20.005 -24.67603 27.86199 
1 1 1    4   15   10 o  781.522   13.758  1656.28   58.097  1645.95   81.633  1666.89   82.702  779.061   19.391  783.983   19.522 -4.921753 27.51580 
1 1 1    4   15   11 o  123.190   9.9879   41.004   6.6421   38.716   9.1835   43.514   9.6182  119.592   14.211  126.788   14.039 -7.195877 19.97589 
1 1 1    4   15   12 o  500.152   9.5840  676.718   25.894  666.892   36.074  687.162   37.191  496.415   13.448  503.890   13.659 -7.474854 19.16807 
1 1 1    4   15   13 o  440.132   8.8418  524.064   21.028  528.829   29.849  519.369   29.629  442.118   12.494  438.145   12.514 3.973022 17.68361 
1 1 1    4   15   14 o  552.315   10.365  823.229   30.871  790.541   42.039  861.486   45.479  540.467   14.394  564.163   14.918 -23.69568 20.73051 
1 1 1    4   15   15 o  407.140   8.5027  448.149   18.701  458.559   26.813  438.288   26.097  411.740   12.052  402.539   11.998 9.201233 17.00531 
1 1 1    4   15   16 o  751.176   11.463  1545.01   44.739  1462.61   73.206  1594.14   56.523  734.782   18.437  767.570   13.627 -32.78778 22.92689 
1 1 1    4   15   17 o  227.190   11.001  139.595   13.506  139.595   13.506   0.0000   0.0000  227.190   11.001  ?   ?       ?      ? 
1 1 1    4   15   18 o  605.317   9.7524  966.831   29.247  1053.38   54.437  931.714   34.676  623.700   16.152  586.933   10.933 36.76666 19.50474 
1 1 1    4   15   19 o  1050.48   12.772  2987.36   72.451  2922.26  100.250  3058.55  104.826  1038.55   17.864  1062.42   18.259 -23.87512 25.54430 
1 1 1    4   15   21 o  524.503   7.1336  743.636   20.214  727.034   28.239  761.081   28.947  518.503   10.079  530.504   10.098 -12.00104 14.26711 
1 1 1    4   15   22 f  601.029   11.087  977.127   36.008   0.0000   0.0000  977.127   36.008  ?   ?   601.029   11.087      ?      ? 
1 1 1    4   15   23 o  404.191   12.593  442.117   27.504   0.0000   0.0000  442.117   27.504  ?   ?   404.191   12.593      ?      ? 
1 1 1    4   15   24 o  435.434   13.169  513.288   30.986   0.0000   0.0000  513.288   30.986  ?   ?   435.434   13.169      ?      ? 
1 1 1    4   15   25 o  522.340   8.7762  752.956   23.890  679.730   38.255  799.774   30.588  500.970   14.131  543.711   10.411 -42.74109 17.55250 
1 1 1    4   15   26 o  1021.41   15.266  2854.33   80.215  2768.02  135.021  2901.41   99.721  1008.50   24.776  1034.32   17.842 -25.81860 30.53190 
1 1 1    4   15   27 o  623.673   8.1935  1052.60   27.612  1040.81   38.893  1064.59   39.208  620.148   11.606  627.198   11.569 -7.050049 16.38702 
1 1 1    4   15   28 o  495.227   7.0174  663.557   18.777  657.652   26.633  669.395   26.479  493.030   9.9966  497.423   9.8510 -4.392242 14.03473 
1 1 1    4   15   29 o  535.082   7.3794  774.675   21.335  761.140   30.055  788.423   30.291  530.368   10.487  539.797   10.385 -9.429504 14.75873 
1 1 1    4   15   30 o  306.725   8.5462  254.468   14.165   0.0000   0.0000  254.468   14.165  ?   ?   306.725   8.5462      ?      ? 
1 1 1    4   15   31 o  161.444   8.0892   71.864   6.9227   57.924   10.042   84.491   9.5567  146.209   12.710  176.680   10.010 -30.47153 16.17838 
1 1 1    4   15   32 o  944.279   11.654  2420.06   59.450  2381.50   82.907  2460.87   85.295  936.568   16.382  951.990   16.581 -15.42273 23.30848 
1 1 1    4   15   33 o  685.387   8.8273  1273.09   32.688  1252.51   45.749  1294.55   46.721  679.737   12.455  691.037   12.512 -11.30048 17.65454 
1 1 1    4   15   34 o  543.365   7.4211  799.800   21.787  783.761   30.576  816.342   31.052  537.828   10.521  548.901   10.469 -11.07263 14.84227 
1 1 1    4   15   35 o  276.663   6.0703  207.722   9.0494  198.887   13.124  215.729   12.495  271.016   8.9616  282.309   8.1906 -11.29294 12.14065 
1 1 1    4   15   36 f  431.535   6.5114  504.626   15.175  498.189   21.753  510.728   21.180  428.831   9.3873  434.238   9.0262 -5.406891 13.02281 
1 1 1    4   15   37 o  453.731   6.6808  558.160   16.376  549.478   23.292  566.647   23.029  450.221   9.5742  457.241   9.3204 -7.019287 13.36168 
1 1 1    4   15   38 o  213.617   6.3511  125.089   7.2477  110.438   10.653  137.716   9.8895  201.775   9.7701  225.459   8.1174 -23.68439 12.70223 
1 1 1    4   15   39 f  135.341   8.1971   49.121   5.9505   55.703   9.1137   44.230   7.8562  143.122   11.784  127.561   11.397 15.56146 16.39421 
1 1 1    4   15   40 o  278.971   7.9039  210.985   11.915   0.0000   0.0000  210.985   11.915  ?   ?   278.971   7.9039      ?      ? 
1 1 1    4   15   41 o  238.749   5.9959  154.178   7.6803  159.053   11.652  150.432   10.213  242.018   8.9097  235.479   8.0262 6.538574 11.99181 
1 1 1    4   15   42 o  361.445   8.2059  357.123   15.952  343.919   23.466  368.468   21.751  355.040   12.231  367.851   10.943 -12.81033 16.41181 
1 1 1    4   15   43 o  313.263   7.8638  266.875   13.160  272.748   20.291  262.613   17.288  316.021   11.882  310.506   10.304 5.514832 15.72760 
1 1 1    4   15   44 o  361.904   8.2046  359.253   15.994  337.838   23.075  379.054   22.188  351.280   12.156  372.527   11.022 -21.24698 16.40925 
1 1 1    4   15   45 o  256.490   5.8721  178.986   8.1111  178.415   11.961  179.472   11.037  256.040   8.6451  256.941   7.9490 -0.9011536 11.74411 
1 1 1    4   15   46 o  217.124   7.4834  130.250   8.0748  125.405   14.485  132.435   9.7263  213.640   12.547  220.609   8.1590 -6.968811 14.96677 
1 1 1    4   15   47 o  113.094   10.841   32.880   6.0680   42.590   11.665   29.277   7.1050  123.158   17.528  103.029   12.762 20.12913 21.68148 
1 1 1    4   15   48 o  166.120   7.6408   75.675   6.8451   74.230   9.3528   77.342   10.045  164.484   10.523  167.757   11.081 -3.272980 15.28155 
1 1 1    4   15   49 o  405.427   6.3398  449.518   13.887  437.393   19.512  461.963   19.767  399.852   9.0306  411.002   8.9006 -11.15021 12.67960 
1 1 1    4   15   50 o  163.170   7.0498   73.061   6.1874   74.824   9.2479   71.632   8.3252  164.828   10.383  161.513   9.5389 3.314911 14.09966 
1 1 1    4   15   51 o   59.833   13.931   9.7730   5.2067   12.924   8.0616   7.5179   6.8200   66.166   20.465   53.500   18.907 12.66601 27.86150 
1 1 1    4   15   52 o  258.129   5.9717  183.202   8.3114  175.348   11.980  190.491   11.541  252.625   8.7760  263.633   8.1010 -11.00760 11.94336 
1 1 1    4   15   53 o   42.449   12.852   0.7356   5.2389  -0.1991   7.9142   1.4646   6.9896   42.441   18.466   42.457   17.879 -0.1594543E-01 25.70312 
1 1 1    4   15   54 o  247.075   5.9878  168.046   7.9581  167.608   11.818  168.408   10.765  246.562   8.8699  247.589   8.0462 -1.027069 11.97564 
1 1 1    4   15   55 o  120.791   9.2562   42.019   5.9235   36.510   8.8823   46.431   7.9492  112.873   14.563  128.709   11.430 -15.83572 18.51250 
1 1 1    4   15   56 o  160.942   7.4585   71.740   6.4483   77.366   9.7798   67.413   8.5768  166.315   10.882  155.569   10.203 10.74611 14.91694 
1 1 1    4   15   57 o  257.815   6.1914  184.702   8.5976  172.062   12.343  196.613   11.982  248.907   9.1772  266.723   8.3136 -17.81596 12.38290 
1 1 1    4   15   58 o  192.781   7.0282  104.075   7.2771  102.559   10.852  105.314   9.8095  191.119   10.508  194.444   9.3361 -3.324371 14.05639 
1 1 1    4   15   59 o  153.805   11.196   68.192   8.5829   63.776   10.210   78.829   15.847  148.384   12.734  159.227   18.418 -10.84227 22.39137 
1 1 1    4   15   60 o  208.219   11.603  131.312   12.845  153.649   18.012  108.198   18.322  228.609   14.580  187.828   18.052 40.78036 23.20510 
1 1 1    4   15   61 o  144.756   14.410   66.997   11.199   63.446   14.890   71.622   16.993  141.358   19.494  148.154   21.226 -6.796555 28.81906 
1 1 1    4   15   62 o   68.924   16.348   19.087   7.4997   13.137   13.375   21.816   9.0576   60.271   25.007   77.577   21.064 -17.30555 32.69673 
1 1 1    4   15   63 f   45.692   13.222   0.9170   6.3052 -13.0101   9.4980   11.890   8.4308   32.919   16.093   58.464   20.983 -25.54494 26.44342 
1 1 1    4   16    0 o  416.849   7.3286  469.958   15.561  470.045   26.960  469.915   19.056  416.804   11.970  416.895   8.4589 -0.9085083E-01 14.65716 
1 1 1    4   16    1 o  576.512   9.1979  899.490   27.038  899.549   46.745  899.459   33.145  576.367   15.009  576.658   10.637 -0.2910767 18.39581 
1 1 1    4   16    2 o  372.448   8.8453  375.080   17.802   0.0000   0.0000  375.080   17.802  ?   ?   372.448   8.8453      ?      ? 
1 1 1    4   16    3 o  288.947   5.6113  225.645   8.7613   0.0000   0.0000  225.645   8.7613  ?   ?   288.947   5.6113      ?      ? 
1 1 1    4   16    4 o  684.450   8.7574  1266.66   32.390   0.0000   0.0000  1266.66   32.390  ?   ?   684.450   8.7574      ?      ? 
1 1 1    4   16    5 o  273.581   7.2483  202.322   10.715   0.0000   0.0000  202.322   10.715  ?   ?   273.581   7.2483      ?      ? 
1 1 1    4   16    6 o  321.434   6.5073  279.261   11.303   0.0000   0.0000  279.261   11.303  ?   ?   321.434   6.5073      ?      ? 
1 1 1    4   16    7 o  528.380   10.396  755.036   29.682   0.0000   0.0000  755.036   29.682  ?   ?   528.380   10.396      ?      ? 
1 1 1    4   16    8 o  219.653   5.9684  131.189   6.3870  128.694   11.932  132.191   7.5617  218.152   10.122  221.155   6.3275 -3.003265 11.93676 
1 1 1    4   16    9 o  249.943   10.507  168.941   14.190  168.941   14.190   0.0000   0.0000  249.943   10.507  ?   ?       ?      ? 
1 1 1    4   16   11 o  745.823   9.4324  1504.89   38.011  1511.28   54.172  1498.70   53.348  747.376   13.414  744.271   13.265 3.104309 18.86485 
1 1 1    4   16   13 o  730.766   9.2387  1443.60   36.460  1411.32   50.523  1478.67   52.670  722.260   12.945  739.273   13.185 -17.01239 18.47737 
1 1 1    4   16   14 o  789.661   9.8844  1686.52   42.160  1654.10   58.610  1721.28   60.691  781.811   13.873  797.511   14.083 -15.69952 19.76879 
1 1 1    4   16   17 o  314.624   5.6973  267.271   9.6771  274.950   14.057  260.354   13.342  318.912   8.1573  310.336   7.9559 8.576050 11.39463 
1 1 1    4   16   18 o  241.805   5.8087  158.183   7.5803  155.552   10.946  160.607   10.508  239.868   8.4449  243.742   7.9780 -3.874710 11.61742 
1 1 1    4   16   19 o  422.195   6.3868  481.867   14.568  468.598   20.463  495.501   20.744  416.301   9.0967  428.089   8.9673 -11.78839 12.77352 
1 1 1    4   16   20 o  575.756   7.6999  896.597   23.955  886.842   33.692  906.569   34.065  572.589   10.889  578.922   10.889 -6.333191 15.39987 
1 1 1    4   16   22 o  427.783   6.4603  494.015   14.920  471.594   20.592  518.794   21.648  417.584   9.1256  437.981   9.1468 -20.39764 12.92053 
1 1 1    4   16   23 o  828.547   12.788  1843.58   53.234  1812.48   64.116  1912.61   95.511  817.996   14.505  839.098   21.065 -21.10260 25.57577 
1 1 1    4   16   24 o  448.915   8.1054  555.440   18.889  506.757   30.633  585.307   23.993  432.642   13.103  465.188   9.5448 -32.54550 16.21076 
1 1 1    4   16   25 o  282.856   7.3612  216.333   10.607  216.824   18.381  216.088   12.988  283.033   12.019  282.678   8.5030 0.3552856 14.72232 
1 1 1    4   16   26 o  265.494   6.3205  190.708   9.0634  188.548   12.975  192.766   12.666  264.021   9.0944  266.968   8.7799 -2.946869 12.64095 
1 1 1    4   16   27 o  394.053   6.3986  419.982   13.619  403.816   19.155  436.509   19.368  386.379   9.1743  401.727   8.9219 -15.34872 12.79719 
1 1 1    4   16   28 o  165.984   8.1691   75.304   7.2549   65.430   10.499   84.328   10.037  155.442   12.499  176.525   10.522 -21.08353 16.33829 
1 1 1    4   16   29 o  218.952   9.6644  129.737   11.434  129.737   11.434   0.0000   0.0000  218.952   9.6644  ?   ?       ?      ? 
1 1 1    4   16   30 o  358.276   9.0301  347.323   17.482  347.323   17.482   0.0000   0.0000  358.276   9.0301  ?   ?       ?      ? 
1 1 1    4   16   31 f  959.974   11.833  2500.99   61.336  2439.20   84.732  2569.01   88.902  947.589   16.548  972.359   16.920 -24.76935 23.66656 
1 1 1    4   16   32 o  387.645   6.3299  406.126   13.247  383.832   18.343  430.430   19.152  376.538   9.0150  398.751   8.8883 -22.21252 12.65990 
1 1 1    4   16   33 o  175.899   7.4573   83.111   7.0507   91.009   10.663   76.974   9.3986  183.249   10.768  168.549   10.319 14.70009 14.91468 
1 1 1    4   16   34 f  357.707   6.2354  346.314   12.037  349.723   17.511  343.259   16.574  359.357   9.0175  356.057   8.6143 3.299866 12.47084 
1 1 1    4   16   35 o  256.474   8.2979  178.125   11.500   0.0000   0.0000  178.125   11.500  ?   ?   256.474   8.2979      ?      ? 
1 1 1    4   16   36 o  451.211   6.7124  552.111   16.357  548.223   23.482  555.775   22.797  449.639   9.6648  452.783   9.3176 -3.144257 13.42480 
1 1 1    4   16   37 o  293.562   8.1127  233.508   12.869   0.0000   0.0000  233.508   12.869  ?   ?   293.562   8.1127      ?      ? 
1 1 1    4   16   38 o  218.503   6.3782  129.885   7.4769  126.134   11.176  132.925   10.060  215.581   9.5936  221.424   8.4079 -5.842590 12.75650 
1 1 1    4   16   39 o  238.373   7.6305  147.550   8.7737  170.248   17.285  139.673   10.183  249.834   12.803  226.912   8.3049 22.92213 15.26098 
1 1 1    4   16   40 o   52.533   15.411   2.8160   6.7387  -0.6273   12.672   4.1734   7.9569   54.615   23.564   50.452   19.867 4.163776 30.82138 
1 1 1    4   16   41 o  327.330   8.0761  289.168   14.013  306.531   22.354  277.928   17.986  335.103   12.345  319.556   10.416 15.54712 16.15226 
1 1 1    4   16   42 o  272.948   10.023  202.905   14.783   0.0000   0.0000  202.905   14.783  ?   ?   272.948   10.023      ?      ? 
1 1 1    4   16   43 o  153.960   7.4840   64.416   6.1356   66.373   9.5875   63.059   7.9847  155.807   11.388  152.113   9.7141 3.694473 14.96803 
1 1 1    4   16   44 o  153.162   7.4074   64.500   6.0016   61.851   9.3991   66.324   7.7983  150.307   11.572  156.017   9.2500 -5.709839 14.81487 
1 1 1    4   16   45 o  388.237   6.2215  410.939   13.041  404.405   18.744  417.068   18.155  385.166   9.0059  391.308   8.5860 -6.141754 12.44291 
1 1 1    4   16   46 o  133.114   8.2459   48.825   5.8500   48.067   9.0084   49.378   7.6929  132.019   12.628  134.210   10.608 -2.190811 16.49177 
1 1 1    4   16   47 o  209.905   7.7419  114.006   7.8453  137.072   15.547  106.126   9.0872  222.630   12.923  197.180   8.5286 25.45004 15.48384 
1 1 1    4   16   48 o   47.820   13.471   2.7532   5.2143   7.4426   8.4380  -0.1438   6.6321   56.058   20.851   39.582   17.063 16.47631 26.94223 
1 1 1    4   16   49 o  154.046   8.1848   65.670   6.8048   69.934   9.6968   61.532   9.5518  159.065   11.281  149.027   11.861 10.03839 16.36951 
1 1 1    4   16   50 o  244.452   6.0686  162.400   7.9619  175.115   12.136  152.792   10.550  252.657   8.8893  236.246   8.2638 16.41118 12.13710 
1 1 1    4   16   51 o  195.337   6.6249  105.639   6.9414   99.525   10.271  110.779   9.4176  189.844   10.012  200.831   8.6781 -10.98651 13.24976 
1 1 1    4   16   52 o  177.188   6.9028   86.900   6.5821   84.027   9.6568   89.393   8.9953  174.248   10.256  180.128   9.2416 -5.879745 13.80552 
1 1 1    4   16   53 o   73.316   13.478   16.899   5.5671   11.332   8.3603   21.334   7.4622   62.103   20.979   84.528   16.927 -22.42432 26.95649 
1 1 1    4   16   54 o   50.776   13.509   5.4044   5.5335  -1.5319   8.4221   10.673   7.3402   41.676   18.552   59.876   19.643 -18.20024 27.01900 
1 1 1    4   16   55 o  238.044   6.2983  157.301   8.0636  148.931   11.781  164.679   11.061  231.747   9.4075  244.342   8.3770 -12.59554 12.59668 
1 1 1    4   16   56 o   92.804   12.358   26.245   5.9194   24.360   9.2709   27.542   7.6912   87.984   19.958   97.623   14.580 -9.639069 24.71646 
1 1 1    4   16   57 o  114.532   10.585   39.237   6.3375   31.843   9.5555   45.044   8.4678  103.350   17.110  125.714   12.465 -22.36417 21.16928 
1 1 1    4   16   58 o  101.077   15.767   39.787   8.4797   48.766   10.211   19.836   15.221  128.384   14.719   73.771   27.888 54.61333 31.53336 
1 1 1    4   16   59 o   33.441   11.963 -43.7304   10.625 -37.9955   14.780 -49.8649   15.286   34.539   17.387   32.342   16.436 2.197300 23.92573 
1 1 1    4   16   60 o   51.006   16.523  -7.7811   11.182   8.8131   15.400 -26.2838   16.262   61.245   26.192   40.768   20.149 20.47711 33.04564 
1 1 1    4   16   61 o   36.275   12.673 -14.0558   7.4923  -9.4617   14.195 -15.8299   8.8211   42.833   20.638   29.717   14.715 13.11628 25.34692 
1 1 1    4   16   62 o  173.122   8.1592   86.733   7.5631   92.522   11.633   82.494   9.9538  177.411   12.135  168.834   10.910 8.576385 16.31846 
1 1 1    4   17    0 o  999.091   14.249  2642.97   64.666  2822.07  137.165  2591.78   73.327  1019.51   24.898  978.677   13.865 40.82965 28.49859 
1 1 1    4   17    1 o  646.749   9.6961  1099.41   28.457  1191.89   60.680  1073.33   32.220  663.434   16.926  630.063   9.4635 33.37097 19.39223 
1 1 1    4   17    2 o  356.335   7.9696  343.236   15.346   0.0000   0.0000  343.236   15.346  ?   ?   356.335   7.9696      ?      ? 
1 1 1    4   17    3 o  925.669   11.411  2317.45   57.076   0.0000   0.0000  2317.45   57.076  ?   ?   925.669   11.411      ?      ? 
1 1 1    4   17    4 o  305.315   5.8128  251.923   9.5900   0.0000   0.0000  251.923   9.5900  ?   ?   305.315   5.8128      ?      ? 
1 1 1    4   17    5 o  810.645   10.156  1776.92   44.487   0.0000   0.0000  1776.92   44.487  ?   ?   810.645   10.156      ?      ? 
1 1 1    4   17    6 o  507.748   7.1257  696.829   19.551   0.0000   0.0000  696.829   19.551  ?   ?   507.748   7.1257      ?      ? 
1 1 1    4   17    7 o  345.298   5.8878  322.230   10.986   0.0000   0.0000  322.230   10.986  ?   ?   345.298   5.8878      ?      ? 
1 1 1    4   17    8 o  906.777   13.031  2171.75   53.571  2331.08  114.092  2126.69   60.676  926.923   22.778  886.631   12.664 40.29224 26.06232 
1 1 1    4   17    9 o  616.879   9.1979  1038.96   26.949  1009.91   52.303  1049.46   31.445  610.745   15.848  623.013   9.3404 -12.26819 18.39579 
1 1 1    4   17   10 o  680.575   8.7644  1252.51   32.223  1230.15   44.918  1276.22   46.250  674.325   12.327  686.824   12.462 -12.49957 17.52870 
1 1 1    4   17   12 o  764.464   9.6428  1581.50   39.833  1574.60   56.189  1588.48   56.477  762.787   13.632  766.141   13.642 -3.353943 19.28556 
1 1 1    4   17   13 o  680.742   12.428  1253.75   45.717   0.0000   0.0000  1253.75   45.717  ?   ?   680.742   12.428      ?      ? 
1 1 1    4   17   14 o  1114.47   13.569  3366.53   81.710  3346.76  114.897  3386.75  116.226  1111.17   19.135  1117.77   19.243 -6.599609 27.13750 
1 1 1    4   17   16 o  555.592   7.5473  834.880   22.659  831.992   32.020  837.778   32.068  554.629   10.684  556.555   10.663 -1.926514 15.09465 
1 1 1    4   17   17 o  538.667   10.441  784.803   30.391   0.0000   0.0000  784.803   30.391  ?   ?   538.667   10.441      ?      ? 
1 1 1    4   17   18 o  137.370   8.5227   50.740   6.2935   58.669   9.2784   43.984   8.5650  147.254   11.661  127.487   12.433 19.76626 17.04540 
1 1 1    4   17   19 o  165.638   10.815   74.227   9.6803   74.227   9.6803   0.0000   0.0000  165.638   10.815  ?   ?       ?      ? 
1 1 1    4   17   21 o  310.928   6.3214  261.656   10.610  256.271   15.265  266.689   14.756  307.823   9.1772  314.033   8.6960 -6.210815 12.64281 
1 1 1    4   17   22 o  581.047   15.710  914.865   49.324   0.0000   0.0000  914.865   49.324  ?   ?   581.047   15.710      ?      ? 
1 1 1    4   17   23 o  493.222   7.1932  658.221   19.169  646.956   27.153  669.414   27.064  489.007   10.276  497.436   10.069 -8.428406 14.38640 
1 1 1    4   17   24 o  561.410   9.5217  837.137   26.544  895.495   49.004  812.905   31.577  574.729   15.779  548.092   10.662 26.63770 19.04347 
1 1 1    4   17   26 o  411.614   6.6316  457.259   14.732  430.430   20.294  487.151   21.421  398.878   9.4152  424.350   9.3417 -25.47263 13.26325 
1 1 1    4   17   27 o  139.468   9.5092   52.622   7.1597   55.641   10.374   49.876   9.8934  143.282   13.399  135.653   13.497 7.628586 19.01836 
1 1 1    4   17   28 o  269.518   6.4740  196.585   9.4265  195.162   13.448  197.960   13.217  268.554   9.2668  270.482   9.0431 -1.928162 12.94802 
1 1 1    4   17   29 o  742.981   13.385  1496.63   53.737   0.0000   0.0000  1496.63   53.737  ?   ?   742.981   13.385      ?      ? 
1 1 1    4   17   30 o  318.032   6.2681  273.833   10.755  254.098   15.092  294.200   15.331  306.369   9.1160  329.694   8.6056 -23.32565 12.53623 
1 1 1    4   17   31 o  183.491   7.5616   91.664   7.4490   86.904   11.009   95.683   10.117  179.040   11.379  187.941   9.9614 -8.900940 15.12325 
1 1 1    4   17   32 o  290.191   6.1975  228.160   9.6981  225.629   14.136  230.411   13.330  288.648   9.0630  291.734   8.4557 -3.086273 12.39504 
1 1 1    4   17   33 o  700.668   12.727  1333.10   48.185   0.0000   0.0000  1333.10   48.185  ?   ?   700.668   12.727      ?      ? 
1 1 1    4   17   34 o  364.278   6.2952  359.194   12.382  339.526   17.232  380.185   17.803  353.967   9.0092  374.589   8.7951 -20.62134 12.59047 
1 1 1    4   17   35 f  208.445   6.7791  118.096   7.5871  115.462   11.319  120.245   10.224  206.281   10.155  210.608   8.9834 -4.326920 13.55820 
1 1 1    4   17   36 f  569.515   7.7567  879.876   23.853  845.237   32.971  917.913   34.550  557.781   10.939  581.249   11.000 -23.46765 15.51346 
1 1 1    4   17   37 o  171.247   10.606   84.641   9.1364   65.991   14.995   95.653   11.522  154.976   17.906  187.518   11.371 -32.54135 21.21141 
1 1 1    4   17   38 o  141.804   11.896   58.342   8.3130   47.140   14.343   64.009   10.201  130.414   20.353  153.195   12.323 -22.78101 23.79269 
1 1 1    4   17   39 o  143.611   11.641   59.319   8.1933   50.045   14.473   63.694   9.9395  134.393   19.929  152.829   12.036 -18.43639 23.28129 
1 1 1    4   17   40 o  238.886   6.7653  154.606   8.7047  148.284   11.757  162.275   12.950  233.543   9.3166  244.229   9.8122 -10.68614 13.53064 
1 1 1    4   17   41 o  206.903   6.5622  117.242   7.2257  111.970   11.092  121.129   9.5237  202.693   10.127  211.113   8.3484 -8.419189 13.12439 
1 1 1    4   17   42 o  264.805   8.0259  190.609   11.484   0.0000   0.0000  190.609   11.484  ?   ?   264.805   8.0259      ?      ? 
1 1 1    4   17   43 o  144.283   8.2539   59.444   6.1375   46.670   9.5749   68.353   7.9962  130.210   13.608  158.355   9.3447 -28.14552 16.50779 
1 1 1    4   17   44 o   84.783   12.619   20.942   5.5399   18.649   8.9659   22.358   7.0457   79.679   20.653   89.888   14.506 -10.20943 25.23841 
1 1 1    4   17   45 o  126.026   8.9717   44.842   5.8764   39.660   9.3846   48.184   7.5369  119.484   14.535  132.568   10.521 -13.08333 17.94336 
1 1 1    4   17   46 o  233.140   6.2053  149.390   7.7673  136.663   11.306  160.768   10.689  223.502   9.3611  242.778   8.1481 -19.27657 12.41054 
1 1 1    4   17   47 o   78.925   13.873   17.831   5.7544   21.886   9.4610   15.450   7.2495   85.530   20.695   72.320   18.482 13.21050 27.74598 
1 1 1    4   17   48 o  111.390   14.003   43.129   6.7556   24.302   13.096   49.956   7.8859   88.247   25.820  134.532   10.848 -46.28537 28.00660 
1 1 1    4   17   49 o  264.037   6.9580  190.369   9.8522  179.860   13.018  204.459   15.073  255.785   9.4182  272.289   10.245 -16.50349 13.91603 
1 1 1    4   17   50 o  134.989   9.3058   51.082   6.7826   53.985   9.7252   48.333   9.4641  138.792   12.967  131.186   13.351 7.606567 18.61157 
1 1 1    4   17   51 o  181.123   7.2657   92.587   6.9641   77.029   10.309  105.649   9.4455  166.314   11.470  195.932   8.9214 -29.61852 14.53145 
1 1 1    4   17   52 o  135.652   8.6957   51.511   6.2659   52.627   9.8387   50.750   8.1272  136.425   13.346  134.878   11.151 1.547180 17.39148 
1 1 1    4   17   53 o  178.603   7.4144   89.341   7.0654   85.839   10.752   92.002   9.3733  175.029   11.368  182.178   9.5215 -7.149124 14.82877 
1 1 1    4   17   54 o  100.047   12.050   30.632   6.1048   25.446   9.5187   34.255   7.9568   90.397   20.015  109.697   13.423 -19.29989 24.09930 
1 1 1    4   17   55 o  224.946   6.7583  141.141   8.1726  137.216   12.082  144.451   11.096  221.685   10.086  228.208   8.9985 -6.522705 13.51651 
1 1 1    4   17   56 o   77.518   14.763   19.115   6.2469   21.285   9.7620   17.610   8.1292   80.690   21.851   74.345   19.859 6.345528 29.52681 
1 1 1    4   17   57 o  123.819   15.916   52.707   9.3200   55.884   11.219   45.631   16.742  137.109   15.143  110.530   27.999 26.57932 31.83132 
1 1 1    4   17   58 o   57.477   18.197  -0.4470   12.105   12.845   17.557 -12.4910   16.713   67.112   28.303   47.841   22.878 19.27069 36.39325 
1 1 1    4   17   60 o   53.449   15.557   7.9560   8.2888 -14.9640   17.608   14.481   9.3947   44.603   21.827   62.295   22.172 -17.69139 31.11304 
1 1 1    4   17   61 o  196.048   12.550  113.432   13.295  113.432   13.295   0.0000   0.0000  196.048   12.550  ?   ?       ?      ? 
1 1 1    4   17   62 o  122.502   12.770   51.965   7.6361   42.629   12.275   57.858   9.7529  107.234   21.924  137.770   13.101 -30.53593 25.53993 
1 1 1    4   18    0 o  302.589   6.6343  248.180   10.227  245.721   17.669  249.420   12.541  301.420   10.848  303.758   7.6406 -2.337860 13.26861 
1 1 1    4   18    1 o  340.161   7.9520  312.797   14.617   0.0000   0.0000  312.797   14.617  ?   ?   340.161   7.9520      ?      ? 
1 1 1    4   18    2 o  751.767   9.5465  1528.15   38.781   0.0000   0.0000  1528.15   38.781  ?   ?   751.767   9.5465      ?      ? 
1 1 1    4   18    3 o  297.543   5.8482  239.269   9.4029   0.0000   0.0000  239.269   9.4029  ?   ?   297.543   5.8482      ?      ? 
1 1 1    4   18    4 o  493.460   7.0148  658.185   18.705   0.0000   0.0000  658.185   18.705  ?   ?   493.460   7.0148      ?      ? 
1 1 1    4   18    5 o  542.033   7.4155  794.179   21.720   0.0000   0.0000  794.179   21.720  ?   ?   542.033   7.4155      ?      ? 
1 1 1    4   18    6 o  879.364   10.952  2091.47   52.044   0.0000   0.0000  2091.47   52.044  ?   ?   879.364   10.952      ?      ? 
1 1 1    4   18    7 o  136.976   9.8056   50.735   7.2578   0.0000   0.0000   50.735   7.2578  ?   ?   136.976   9.8056      ?      ? 
1 1 1    4   18    8 o  245.720   6.1559  163.186   8.1737   0.0000   0.0000  163.186   8.1737  ?   ?   245.720   6.1559      ?      ? 
1 1 1    4   18    9 o  592.613   8.9116  970.295   25.598  904.279   47.569  997.205   30.371  577.933   15.232  607.294   9.2549 -29.36108 17.82313 
1 1 1    4   18   10 o  711.055   11.046  1369.18   40.075  1368.47   69.179  1369.54   49.165  710.661   18.014  711.448   12.789 -0.7864380 22.09228 
1 1 1    4   18   11 o  332.454   8.7297  298.827   15.683   0.0000   0.0000  298.827   15.683  ?   ?   332.454   8.7297      ?      ? 
1 1 1    4   18   13 o  347.791   6.2299  326.588   11.699  309.626   16.224  344.961   16.885  338.395   8.8723  357.186   8.7480 -18.79102 12.45975 
1 1 1    4   18   14 o  172.997   10.593   80.953   9.9021   80.953   9.9021   0.0000   0.0000  172.997   10.593  ?   ?       ?      ? 
1 1 1    4   18   16 o  208.166   6.9310  117.057   7.7907  111.339   10.811  123.233   11.237  202.883   9.8613  213.449   9.7423 -10.56531 13.86206 
1 1 1    4   18   17 o  299.784   6.2938  242.819   10.188  230.193   14.189  256.255   14.637  291.745   9.0006  307.824   8.7998 -16.07944 12.58762 
1 1 1    4   18   18 o  444.409   6.7981  534.130   16.322  537.562   23.349  530.851   22.825  445.800   9.6927  443.017   9.5347 2.783661 13.59630 
1 1 1    4   18   19 o  391.090   6.5153  413.092   13.759  398.544   19.018  429.068   19.929  383.877   9.1684  398.302   9.2593 -14.42526 13.03051 
1 1 1    4   18   20 o  222.841   7.2476  134.437   8.7184  131.958   12.547  136.751   12.123  220.846   10.514  224.837   9.9783 -3.990540 14.49528 
1 1 1    4   18   21 o  887.888   22.211  2144.14  106.565   0.0000   0.0000  2144.14  106.565  ?   ?   887.888   22.211      ?      ? 
1 1 1    4   18   23 o  546.905   9.4452  793.805   25.698  851.802   47.319  769.544   30.604  560.539   15.622  533.271   10.621 27.26770 18.89042 
1 1 1    4   18   24 o  114.126   13.007   35.676   7.7803   42.495   11.469   29.863   10.589  125.130   16.962  103.123   19.722 22.00757 26.01312 
1 1 1    4   18   25 o  145.777   9.9660   57.515   7.8384   59.432   11.473   55.836   10.734  148.042   14.342  143.512   13.842 4.530365 19.93203 
1 1 1    4   18   26 o  338.930   9.0065  310.823   16.495   0.0000   0.0000  310.823   16.495  ?   ?   338.930   9.0065      ?      ? 
1 1 1    4   18   28 o  481.344   7.1255  626.533   18.519  599.786   25.606  655.867   26.816  470.591   10.070  492.098   10.084 -21.50702 14.25096 
1 1 1    4   18   29 o  530.398   10.441  762.265   29.925   0.0000   0.0000  762.265   29.925  ?   ?   530.398   10.441      ?      ? 
1 1 1    4   18   30 o  383.814   9.2004  398.955   19.082  398.955   19.082   0.0000   0.0000  383.814   9.2004  ?   ?       ?      ? 
1 1 1    4   18   31 o  492.302   7.1536  656.914   19.028  644.569   26.900  669.276   26.918  487.659   10.208  496.945   10.024 -9.286652 14.30717 
1 1 1    4   18   32 o  489.026   9.8645  648.366   26.067   0.0000   0.0000  648.366   26.067  ?   ?   489.026   9.8645      ?      ? 
1 1 1    4   18   33 o  225.129   6.7177  137.615   8.1404  135.345   12.001  139.549   11.079  223.368   9.9425  226.890   9.0364 -3.521362 13.43539 
1 1 1    4   18   34 o  248.057   8.6728  179.263   10.392  138.964   18.348  198.300   12.610  225.650   15.047  270.465   8.6285 -44.81509 17.34563 
1 1 1    4   18   35 o  101.331   16.330   29.083   8.1909   30.360   14.952   28.536   9.7905  102.317   26.745  100.344   18.746 1.973305 32.66022 
1 1 1    4   18   36 o  223.611   9.1727  136.475   10.732  136.306   17.505  136.577   13.584  223.223   14.513  223.999   11.222 -0.7761078 18.34540 
1 1 1    4   18   37 f  293.380   8.5669  236.048   13.361  227.027   20.627  242.568   17.537  288.258   13.243  298.502   10.872 -10.24420 17.13376 
1 1 1    4   18   38 o  337.386   8.4772  309.032   15.455   0.0000   0.0000  309.032   15.455  ?   ?   337.386   8.4772      ?      ? 
1 1 1    4   18   39 f  234.600   8.4430  149.529   10.703   0.0000   0.0000  149.529   10.703  ?   ?   234.600   8.4430      ?      ? 
1 1 1    4   18   40 o   74.392   13.140   16.855   5.6240   8.0705   9.1745   22.143   7.1183   59.125   21.790   89.660   14.692 -30.53432 26.28081 
1 1 1    4   18   41 o  281.173   7.9988  214.930   12.153   0.0000   0.0000  214.930   12.153  ?   ?   281.173   7.9988      ?      ? 
1 1 1    4   18   42 o  223.584   6.5408  136.582   7.8162  134.169   11.910  138.408   10.359  221.691   9.9417  225.478   8.5025 -3.787323 13.08164 
1 1 1    4   18   43 o  226.673   8.4117  140.029   10.303   0.0000   0.0000  140.029   10.303  ?   ?   226.673   8.4117      ?      ? 
1 1 1    4   18   44 o  147.443   8.5696   60.860   6.5897   55.987   10.573   63.955   8.4263  142.118   13.768  152.768   10.207 -10.64984 17.13926 
1 1 1    4   18   46 o  306.554   6.2791  256.388   10.325  264.261   15.674  250.353   13.723  310.484   9.3423  302.624   8.3921 7.860321 12.55813 
1 1 1    4   18   47 o   46.375   13.780   1.9421   5.7630  -0.2276   9.4955   3.2073   7.2512   46.567   20.244   46.183   18.701 0.3836746 27.55974 
1 1 1    4   18   48 o  147.947   11.695   69.227   7.5340   49.820   14.935   75.851   8.7257  129.934   21.271  165.960   9.7299 -36.02618 23.39076 
1 1 1    4   18   49 o  124.806   11.875   41.730   6.9858   51.216   14.360   38.789   7.9957  131.846   20.155  117.767   12.565 14.07903 23.75093 
1 1 1    4   18   50 o   79.514   14.912   19.600   6.4923   18.966   9.7802   20.099   8.6808   78.028   22.159   81.000   19.962 -2.972389 29.82441 
1 1 1    4   18   51 o   72.981   14.350   15.087   6.0139   24.507   9.6485   9.1029   7.6905   88.925   20.499   57.036   20.086 31.88889 28.69941 
1 1 1    4   18   52 o   78.753   13.597   20.628   6.1313   10.373   10.077   26.657   7.7261   61.219   22.783   96.288   14.849 -35.06941 27.19464 
1 1 1    4   18   53 o   80.226   14.441   19.765   6.1406   22.503   9.9761   18.095   7.7915   83.983   21.794   76.469   18.952 7.514000 28.88158 
1 1 1    4   18   54 o   46.078   13.847  -0.8269   6.1777   8.3564   9.9573  -6.5738   7.8769   57.256   22.318   34.900   16.395 22.35553 27.69300 
1 1 1    4   18   55 o   92.256   13.866   26.797   6.6063   25.407   10.842   27.618   8.3316   87.673   22.705   96.839   15.922 -9.166756 27.73121 
1 1 1    4   18   56 o   55.203   17.327  -3.3557   11.260 -20.4279   15.595   15.239   16.276   42.037   20.565   68.368   27.892 -26.33118 34.65425 
1 1 1    4   18   57 o   44.802   15.421 -24.7258   12.180  -5.3874   17.283 -43.8063   17.167   52.715   24.608   36.889   18.591 15.82560 30.84178 
1 1 1    4   18   58 o   39.656   19.882 -39.8198   18.358 -39.8198   18.358   0.0000   0.0000   39.656   19.882  ?   ?       ?      ? 
1 1 1    4   18   59 o   44.069   14.066   0.1009   6.9331   5.1091   11.142  -3.0631   8.8564   49.797   21.783   38.341   17.804 11.45607 28.13296 
1 1 1    4   18   60 o   97.850   21.616   33.594   11.125   33.594   11.125   0.0000   0.0000   97.850   21.616  ?   ?       ?      ? 
1 1 1    4   18   61 o   44.225   13.965   1.7678   6.9926  -3.7499   11.022   5.4849   9.0463   41.091   19.332   47.360   20.160 -6.269562 27.93095 
1 1 1    4   19    0 o  229.199   6.6275  144.326   7.9564  132.072   12.635  152.377   10.242  220.983   10.581  237.414   7.9835 -16.43163 13.25506 
1 1 1    4   19    1 o  346.865   8.2074  325.268   15.384   0.0000   0.0000  325.268   15.384  ?   ?   346.865   8.2074      ?      ? 
1 1 1    4   19    2 o  1257.57   17.645  4284.91  119.905   0.0000   0.0000  4284.91  119.905  ?   ?   1257.57   17.645      ?      ? 
1 1 1    4   19    3 o  444.410   6.8531  533.839   16.457   0.0000   0.0000  533.839   16.457  ?   ?   444.410   6.8531      ?      ? 
1 1 1    4   19    4 o  559.510   8.8321  846.416   26.703   0.0000   0.0000  846.416   26.703  ?   ?   559.510   8.8321      ?      ? 
1 1 1    4   19    5 o  618.762   11.418  1035.69   38.176   0.0000   0.0000  1035.69   38.176  ?   ?   618.762   11.418      ?      ? 
1 1 1    4   19    6 o  776.446   9.8470  1630.35   41.315   0.0000   0.0000  1630.35   41.315  ?   ?   776.446   9.8470      ?      ? 
1 1 1    4   19    7 o  406.009   6.5141  445.563   14.291   0.0000   0.0000  445.563   14.291  ?   ?   406.009   6.5141      ?      ? 
1 1 1    4   19    8 o  301.589   8.2023  245.913   13.367   0.0000   0.0000  245.913   13.367  ?   ?   301.589   8.2023      ?      ? 
1 1 1    4   19    9 o  264.565   6.9539  190.173   9.4415  186.509   16.029  192.119   11.683  262.562   11.298  266.568   8.1109 -4.005402 13.90781 
1 1 1    4   19   10 o  497.912   8.0323  673.907   18.986  664.189   37.008  677.378   22.118  495.296   13.827  500.528   8.1777 -5.231964 16.06464 
1 1 1    4   19   11 o  505.897   7.2960  691.944   19.939  673.461   27.824  711.457   28.589  498.956   10.320  512.839   10.316 -13.88260 14.59192 
1 1 1    4   19   15 o  295.141   6.7070  234.163   10.663  213.364   14.462  258.943   15.785  280.865   9.5289  309.416   9.4412 -28.55096 13.41401 
1 1 1    4   19   16 o  368.137   9.2918  366.546   18.484  366.546   18.484   0.0000   0.0000  368.137   9.2918  ?   ?       ?      ? 
1 1 1    4   19   17 o   65.320   16.711   9.6039   7.5801   9.4460   10.800   9.7572   10.641   65.187   23.699   65.453   23.565 -0.2659607 33.42106 
1 1 1    4   19   18 o  393.100   6.8448  417.789   14.534  433.235   20.824  403.116   20.296  400.183   9.6296  386.017   9.7301 14.16635 13.68961 
1 1 1    4   19   20 o  469.497   14.535  597.297   36.875   0.0000   0.0000  597.297   36.875  ?   ?   469.497   14.535      ?      ? 
1 1 1    4   19   22 o  440.730   8.4917  521.976   19.065  538.513   33.271  513.892   23.263  445.709   13.814  435.752   9.8794 9.957062 16.98342 
1 1 1    4   19   26 o  245.182   7.2846  161.463   9.5164  126.984   12.863  203.154   14.144  216.466   10.997  273.898   9.5567 -57.43132 14.56918 
1 1 1    4   19   27 f  191.132   11.296   99.037   11.667   0.0000   0.0000   99.037   11.667  ?   ?   191.132   11.296      ?      ? 
1 1 1    4   19   29 o   91.290   13.926   23.147   6.9265   34.250   10.144   13.448   9.4810  112.106   16.745   70.473   22.256 41.63274 27.85145 
1 1 1    4   19   30 o  710.268   9.1902  1369.44   35.243  1329.08   48.638  1414.05   51.137  699.305   12.871  721.230   13.121 -21.92474 18.38042 
1 1 1    4   19   31 o   77.180   17.292   17.217   8.0933   5.4685   16.314   21.053   9.3213   68.493   27.932   85.867   20.393 -17.37348 34.58416 
1 1 1    4   19   32 o  151.935   12.882   63.616   10.085   62.162   16.934   64.414   12.554  150.241   20.858  153.629   15.123 -3.388031 25.76360 
1 1 1    4   19   33 o  385.566   9.2269  404.430   19.129  351.802   26.472  461.937   27.672  359.206   13.638  411.926   12.432 -52.71967 18.45386 
1 1 1    4   19   34 o  465.868   9.8393  593.721   24.728  573.423   35.615  612.612   34.360  457.992   14.391  473.744   13.422 -15.75159 19.67870 
1 1 1    4   19   35 o  105.155   12.349   31.241   6.6485   29.512   10.556   32.378   8.5593  101.576   19.945  108.734   14.567 -7.158760 24.69806 
1 1 1    4   19   36 o  335.371   8.6289  305.362   15.638   0.0000   0.0000  305.362   15.638  ?   ?   335.371   8.6289      ?      ? 
1 1 1    4   19   37 o   72.965   13.702   16.203   6.0248   5.3877   9.6946   23.009   7.6901   55.865   21.951   90.064   16.406 -34.19901 27.40438 
1 1 1    4   19   38 o  101.552   11.600   28.004   6.2545   31.178   10.003   25.967   8.0142  106.040   17.457   97.065   15.280 8.974594 23.19961 
1 1 1    4   19   39 o  198.747   7.0221  109.377   7.4183   95.069   11.046  121.133   10.012  186.524   10.959  210.971   8.7825 -24.44649 14.04419 
1 1 1    4   19   40 o  279.806   8.3131  213.009   12.569   0.0000   0.0000  213.009   12.569  ?   ?   279.806   8.3131      ?      ? 
1 1 1    4   19   41 o  147.322   8.3764   58.052   6.5735   69.098   10.422   50.754   8.4713  158.602   12.160  136.043   11.524 22.55959 16.75287 
1 1 1    4   19   42 o  179.196   7.2364   88.027   6.9063   87.492   10.690   88.410   9.0479  178.518   11.082  179.873   9.3088 -1.354691 14.47288 
1 1 1    4   19   43 o   35.363   11.770  -7.6117   5.6028  -9.2211   9.2009  -6.6632   7.0635   37.394   17.614   33.331   15.615 4.062435 23.53930 
1 1 1    4   19   44 o  101.390   12.182   31.762   6.0665   21.149   9.5487   38.945   7.8557   84.080   21.061  118.700   12.248 -34.61954 24.36362 
1 1 1    4   19   45 o  137.897   8.8230   52.897   6.3789   52.342   10.312   53.241   8.1185  136.849   13.945  138.945   10.813 -2.096603 17.64607 
1 1 1    4   19   46 o  137.168   9.0685   54.236   6.4145   44.970   10.180   60.338   8.2610  126.383   14.906  147.953   10.333 -21.57012 18.13693 
1 1 1    4   19   47 o  143.012   8.8064   58.466   6.5844   50.345   10.247   64.178   8.5932  133.663   14.187  152.361   10.437 -18.69739 17.61283 
1 1 1    4   19   48 o  220.864   6.7158  135.452   7.8815  128.513   12.126  140.528   10.371  215.486   10.414  226.241   8.4831 -10.75461 13.43167 
1 1 1    4   19   49 o  183.738   9.9135  100.362   8.2159   86.351   16.449  105.018   9.4835  172.260   17.672  195.216   8.9901 -22.95580 19.82706 
1 1 1    4   19   50 o   50.417   14.356   4.6937   5.8728   5.7034   9.4745   4.0637   7.4840   53.445   21.469   47.388   19.065 6.057861 28.71217 
1 1 1    4   19   51 o  281.474   7.1151  221.402   10.759  231.442   14.674  209.730   15.821  288.926   9.3988  274.021   10.685 14.90518 14.23016 
1 1 1    4   19   52 o  112.860   10.770   37.032   6.4159   35.512   10.066   38.072   8.3265  110.037   16.929  115.684   13.320 -5.646553 21.54092 
1 1 1    4   19   53 o   56.927   14.604   6.8970   6.0052   16.355   9.8638   1.3268   7.5698   71.017   22.730   42.838   18.343 28.17870 29.20796 
1 1 1    4   19   54 o  103.047   16.845   34.056   8.5582   31.833   10.162   39.482   15.873  100.792   19.361  105.301   27.571 -4.509384 33.68979 
1 1 1    4   19   55 o  127.765   16.298   55.022   10.845   55.923   14.370   53.829   16.528  132.399   20.086  123.130   25.673 9.268654 32.59657 
1 1 1    4   19   56 o   65.121   18.937   12.062   10.814   14.959   14.594   8.5338   16.103   68.117   26.879   62.126   26.682 5.990891 37.87318 
1 1 1    4   19   57 o   69.649   16.108   17.578   7.3083   8.4189   14.314   20.808   8.4998   59.708   25.386   79.591   19.835 -19.88370 32.21552 
1 1 1    4   19   58 o   47.163   14.295   4.6675   6.4997   3.5583   9.9444   5.4947   8.5879   46.779   20.517   47.548   19.909 -0.7690048 28.58902 
1 1 1    4   19   59 o   82.582   14.945   23.569   6.7710   30.867   10.256   17.930   9.0151   94.545   20.652   70.619   21.608 23.92563 29.89002 
1 1 1    4   19   60 f   60.456   15.651   14.021   6.6636   13.723   10.155   14.246   8.8310   59.674   22.725   61.237   21.527 -1.563847 31.30267 
1 1 1    4   20    0 o  444.590   6.8012  534.328   16.339   0.0000   0.0000  534.328   16.339  ?   ?   444.590   6.8012      ?      ? 
1 1 1    4   20    1 o  456.208   6.9553  562.636   17.146   0.0000   0.0000  562.636   17.146  ?   ?   456.208   6.9553      ?      ? 
1 1 1    4   20    2 o  843.852   10.624  1926.47   48.442   0.0000   0.0000  1926.47   48.442  ?   ?   843.852   10.624      ?      ? 
1 1 1    4   20    3 o  315.664   10.189  269.549   17.380   0.0000   0.0000  269.549   17.380  ?   ?   315.664   10.189      ?      ? 
1 1 1    4   20    4 o  435.698   7.8098  513.269   18.387   0.0000   0.0000  513.269   18.387  ?   ?   435.698   7.8098      ?      ? 
1 1 1    4   20    5 o  571.229   11.553  883.033   35.662   0.0000   0.0000  883.033   35.662  ?   ?   571.229   11.553      ?      ? 
1 1 1    4   20    6 o  367.948   10.326  366.264   20.530   0.0000   0.0000  366.264   20.530  ?   ?   367.948   10.326      ?      ? 
1 1 1    4   20    7 o  511.393   7.4828  707.072   20.678   0.0000   0.0000  707.072   20.678  ?   ?   511.393   7.4828      ?      ? 
1 1 1    4   20    8 o  213.215   13.023  123.079   15.004   0.0000   0.0000  123.079   15.004  ?   ?   213.215   13.023      ?      ? 
1 1 1    4   20    9 o  635.207   8.5304  1091.10   29.280   0.0000   0.0000  1091.10   29.280  ?   ?   635.207   8.5304      ?      ? 
1 1 1    4   20   10 o  755.907   11.933  1504.35   44.380  1656.98   83.794  1444.84   52.320  781.299   19.848  730.515   13.254 50.78308 23.86632 
1 1 1    4   20   11 o  543.579   9.4220  771.033   25.088  868.694   47.964  734.250   29.436  566.193   15.677  520.964   10.456 45.22845 18.84407 
1 1 1    4   20   16 o  879.241   15.820  2095.85   75.162  2095.85   75.162   0.0000   0.0000  879.241   15.820  ?   ?       ?      ? 
1 1 1    4   20   19 o  385.698   14.279  403.378   29.760   0.0000   0.0000  403.378   29.760  ?   ?   385.698   14.279      ?      ? 
1 1 1    4   20   20 o  373.240   13.869  377.703   27.971   0.0000   0.0000  377.703   27.971  ?   ?   373.240   13.869      ?      ? 
1 1 1    4   20   21 o  137.650   15.641   62.597   9.6644   30.946   16.538   79.011   11.910  104.553   28.494  170.746   12.908 -66.19247 31.28143 
1 1 1    4   20   22 o  419.770   6.9938  476.854   15.856  456.481   22.209  498.035   22.645  410.619   10.009  428.922   9.7705 -18.30316 13.98755 
1 1 1    4   20   24 o  376.478   9.3019  383.813   18.923   0.0000   0.0000  383.813   18.923  ?   ?   376.478   9.3019      ?      ? 
1 1 1    4   20   26 o  293.819   9.2877  233.835   14.746   0.0000   0.0000  233.835   14.746  ?   ?   293.819   9.2877      ?      ? 
1 1 1    4   20   28 o  163.337   13.953   77.727   11.422   58.356   18.608   89.437   14.468  145.464   23.673  181.210   14.775 -35.74625 27.90581 
1 1 1    4   20   29 o  180.016   12.158   86.727   11.422   95.833   19.167   81.712   14.224  186.950   18.973  173.081   15.209 13.86914 24.31642 
1 1 1    4   20   30 o  295.040   9.5280  240.164   14.957  215.315   22.478  259.910   20.037  280.920   14.808  309.161   11.994 -28.24155 19.05590 
1 1 1    4   20   31 o  183.373   11.539   91.975   10.903   92.297   18.436   91.802   13.521  183.259   18.618  183.486   13.637 -0.2272186 23.07783 
1 1 1    4   20   32 o  277.312   6.5060  209.374   9.7112  188.735   13.765  229.828   13.703  263.598   9.6634  291.027   8.7137 -27.42905 13.01192 
1 1 1    4   20   33 o  313.078   6.3937  266.477   10.784  240.916   15.147  292.756   15.358  297.768   9.4134  328.388   8.6548 -30.61957 12.78740 
1 1 1    4   20   34 o  124.664   10.104   41.954   6.7591   48.594   10.281   36.899   8.9704  133.232   14.280  116.096   14.299 17.13660 20.20841 
1 1 1    4   20   35 o  103.316   15.805   29.361   8.8235   0.0000   0.0000   29.361   8.8235  ?   ?   103.316   15.805      ?      ? 
1 1 1    4   20   36 o  190.079   7.4607   98.634   7.5834   97.770   11.559   99.287   10.048  189.217   11.305  190.941   9.7385 -1.723679 14.92144 
1 1 1    4   20   37 o  244.976   8.8438  163.328   11.707   0.0000   0.0000  163.328   11.707  ?   ?   244.976   8.8438      ?      ? 
1 1 1    4   20   38 o  330.244   6.3212  297.253   11.247  293.468   16.494  300.543   15.376  328.170   9.3012  332.317   8.5626 -4.147125 12.64243 
1 1 1    4   20   39 o  158.810   7.8908   69.418   6.6682   66.843   10.261   71.300   8.7731  156.048   12.169  161.572   10.048 -5.523026 15.78162 
1 1 1    4   20   40 o  110.038   10.350   33.122   6.0467   36.071   9.6401   31.210   7.7639  113.808   15.675  106.268   13.520 7.539871 20.70077 
1 1 1    4   20   41 o   95.292   12.135   26.523   5.8754   23.539   9.4160   28.426   7.5187   89.315   20.007  101.268   13.740 -11.95281 24.27024 
1 1 1    4   20   42 o   70.047   14.160   14.759   5.8224   9.5353   9.0369   18.467   7.6131   60.783   21.733   79.311   18.156 -18.52772 28.31918 
1 1 1    4   20   43 o  163.814   7.8450   74.172   6.8245   72.870   10.628   75.085   8.9020  162.272   12.121  165.356   9.9628 -3.084137 15.68992 
1 1 1    4   20   44 o  109.503   10.655   33.606   6.1840   34.535   9.7890   32.990   7.9773  110.344   16.417  108.662   13.586 1.681282 21.30977 
1 1 1    4   20   45 o   88.451   13.115   22.616   5.9519   26.803   9.6291   20.027   7.5715   94.660   19.475   82.241   17.571 12.41943 26.22956 
1 1 1    4   20   46 o   40.336   12.860  -2.8576   5.8084  -3.5565   9.2778  -2.4071   7.4488   42.108   19.046   38.564   17.286 3.544628 25.72067 
1 1 1    4   20   47 o  100.315   12.073   27.904   6.2525   38.299   10.187   21.621   7.9199  115.572   16.312   85.057   17.803 30.51466 24.14556 
1 1 1    4   20   48 o  198.989   7.1332  111.686   7.5125   97.233   11.342  122.984   10.028  186.705   11.242  211.273   8.7836 -24.56754 14.26647 
1 1 1    4   20   49 o   55.156   14.613   7.8243   6.0022   3.3683   9.9964   10.337   7.5057   51.010   21.426   59.301   19.879 -8.291283 29.22696 
1 1 1    4   20   50 o   67.819   17.323   11.137   6.7230   21.266   15.473   8.7795   7.4645   79.835   28.450   55.804   19.774 24.03028 34.64640 
1 1 1    4   20   51 f   55.510   15.054   6.9685   6.4871   11.869   9.5977   2.8468   8.8020   63.205   22.419   47.814   20.095 15.39059 30.10711 
1 1 1    4   20   52 o  104.992   18.976   34.185   10.369   34.185   10.369   0.0000   0.0000  104.992   18.976  ?   ?       ?      ? 
1 1 1    4   20   53 o   86.893   17.866   23.971   9.8271   9.9009   12.897   43.446   15.174   61.572   24.937  112.214   25.591 -50.64244 35.73214 
1 1 1    4   20   54 o   59.281   17.938   6.8411   10.121   2.2119   13.161   13.538   15.831   52.410   23.268   66.152   27.307 -13.74259 35.87588 
1 1 1    4   20   55 o   96.116   19.909   34.180   10.970   30.450   14.695   38.874   16.486   90.662   27.555  101.570   28.744 -10.90888 39.81839 
1 1 1    4   20   56 o   35.980   12.208 -10.4679   6.5565  -4.4693   10.500 -14.3021   8.3943   41.776   19.394   30.184   14.832 11.59201 24.41582 
1 1 1    4   20   57 o  187.491   7.8689  101.778   7.8844  108.926   12.228   96.692   10.315  192.236   11.772  182.747   10.445 9.489380 15.73784 
1 1 1    4   20   58 o   90.413   14.304   28.003   6.7446   30.349   10.442   26.323   8.8350   92.599   21.310   88.227   19.087 4.371986 28.60766 
1 1 1    4   21    0 o  416.009   10.786  468.249   24.247   0.0000   0.0000  468.249   24.247  ?   ?   416.009   10.786      ?      ? 
1 1 1    4   21    1 o  137.487   11.277   51.151   8.3780   0.0000   0.0000   51.151   8.3780  ?   ?   137.487   11.277      ?      ? 
1 1 1    4   21    2 o  431.289   7.0046  502.870   16.324   0.0000   0.0000  502.870   16.324  ?   ?   431.289   7.0046      ?      ? 
1 1 1    4   21    3 o  337.872   8.7955  308.729   16.058   0.0000   0.0000  308.729   16.058  ?   ?   337.872   8.7955      ?      ? 
1 1 1    4   21    4 o  231.816   8.4706  145.324   10.611   0.0000   0.0000  145.324   10.611  ?   ?   231.816   8.4706      ?      ? 
1 1 1    4   21    5 o  605.447   8.3158  991.281   27.206   0.0000   0.0000  991.281   27.206  ?   ?   605.447   8.3158      ?      ? 
1 1 1    4   21    6 o  435.264   7.9693  512.302   18.744   0.0000   0.0000  512.302   18.744  ?   ?   435.264   7.9693      ?      ? 
1 1 1    4   21    7 o  146.370   9.9168   57.961   7.8436   0.0000   0.0000   57.961   7.8436  ?   ?   146.370   9.9168      ?      ? 
1 1 1    4   21    8 o  366.876   8.0477  363.983   15.954   0.0000   0.0000  363.983   15.954  ?   ?   366.876   8.0477      ?      ? 
1 1 1    4   21    9 o  672.015   12.993  1222.99   47.183   0.0000   0.0000  1222.99   47.183  ?   ?   672.015   12.993      ?      ? 
1 1 1    4   21   10 o  315.385   7.6972  269.411   12.411  268.468   21.322  269.894   15.264  314.884   12.531  315.886   8.9420 -1.001434 15.39435 
1 1 1    4   21   11 o  576.251   9.1206  889.643   24.499  918.243   49.651  880.439   28.167  581.981   15.788  570.522   9.1365 11.45923 18.24128 
1 1 1    4   21   12 o  650.429   17.143  1147.75   60.251  1147.75   60.251   0.0000   0.0000  650.429   17.143  ?   ?       ?      ? 
1 1 1    4   21   14 o  293.141   7.2361  232.660   11.451  219.993   16.140  245.501   16.250  285.091   10.477  301.191   9.9844 -16.09985 14.47230 
1 1 1    4   21   15 o  289.451   7.0832  226.635   11.072  230.236   15.996  223.324   15.340  291.650   10.150  287.253   9.8826 4.397095 14.16648 
1 1 1    4   21   16 o  521.464   7.6667  736.250   21.603  727.043   30.480  745.544   30.622  518.184   10.885  524.744   10.799 -6.560486 15.33346 
1 1 1    4   21   18 o  116.055   15.421   36.942   9.0278   35.873   11.140   38.986   15.409  114.873   17.946  117.236   25.082 -2.362968 30.84130 
1 1 1    4   21   19 o   83.605   18.055   19.494   8.9688   22.579   11.528   14.764   14.275   89.285   23.554   77.925   27.372 11.36015 36.11088 
1 1 1    4   21   20 o  501.750   14.625  683.784   39.652  683.784   39.652   0.0000   0.0000  501.750   14.625  ?   ?       ?      ? 
1 1 1    4   21   21 o  468.182   7.2853  592.638   18.393  612.151   27.058  575.879   25.077  475.301   10.535  461.063   10.065 14.23816 14.57055 
1 1 1    4   21   22 o  239.015   7.3740  154.710   9.5148  156.949   13.803  152.682   13.134  240.649   10.615  237.381   10.239 3.268326 14.74800 
1 1 1    4   21   23 o  477.396   7.3190  617.513   18.876  599.413   26.489  636.188   26.907  470.280   10.424  484.512   10.277 -14.23251 14.63793 
1 1 1    4   21   24 o  440.724   8.9096  538.410   20.006  493.018   33.807  562.871   24.818  425.738   14.695  455.709   10.078 -29.97086 17.81930 
1 1 1    4   21   25 o  212.962   11.629  121.868   13.281  140.766   20.309  107.748   17.555  227.160   16.545  198.764   16.345 28.39607 23.25730 
1 1 1    4   21   26 o  205.011   11.539  113.268   12.627  123.987   19.766  105.878   16.413  212.984   17.175  197.038   15.415 15.94618 23.07814 
1 1 1    4   21   27 o  331.891   9.5678  301.371   17.075  278.378   24.737  322.297   23.599  319.586   14.324  344.196   12.688 -24.61044 19.13564 
1 1 1    4   21   28 o  142.352   12.047   55.725   8.8794   56.339   11.113   54.640   14.768  143.721   14.309  140.983   19.385 2.738449 24.09371 
1 1 1    4   21   29 o  307.544   6.5922  256.673   10.950  246.001   15.392  267.612   15.582  301.051   9.4614  314.038   9.1822 -12.98703 13.18447 
1 1 1    4   21   30 o  228.195   7.2789  142.406   8.9205  127.529   12.826  156.347   12.415  216.486   10.964  239.903   9.5772 -23.41721 14.55775 
1 1 1    4   21   31 o  132.391   10.273   47.819   7.2735   49.216   11.184   46.796   9.5750  133.944   15.452  130.838   13.543 3.105423 20.54680 
1 1 1    4   21   32 o  290.897   6.5014  230.200   10.192  225.332   14.883  234.498   13.986  287.931   9.5655  293.862   8.8076 -5.931091 13.00276 
1 1 1    4   21   33 o  134.840   9.9030   50.255   7.1152   46.878   10.786   52.857   9.4672  130.613   15.283  139.067   12.598 -8.454285 19.80591 
1 1 1    4   21   34 o  175.702   7.8524   84.777   7.4063   78.220   10.832   90.535   10.150  169.158   11.850  182.246   10.307 -13.08838 15.70485 
1 1 1    4   21   35 o  281.265   6.4656  215.341   9.7771  187.471   13.590  245.244   14.077  262.297   9.5880  300.233   8.6769 -37.93582 12.93124 
1 1 1    4   21   36 f  347.459   8.7806  328.658   16.486   0.0000   0.0000  328.658   16.486  ?   ?   347.459   8.7806      ?      ? 
1 1 1    4   21   37 o  209.647   7.1459  120.938   8.0209  111.698   11.889  128.656   10.866  202.062   10.889  217.232   9.2570 -15.17027 14.29171 
1 1 1    4   21   38 f  208.289   7.0338  117.995   7.8134  122.455   12.160  114.859   10.197  211.445   10.643  205.134   9.1990 6.311111 14.06750 
1 1 1    4   21   39 o   86.087   13.424   22.486   6.1513   15.736   9.5975   27.192   8.0137   73.346   22.264   98.827   15.006 -25.48170 26.84892 
1 1 1    4   21   40 o  187.475   7.2320   96.532   7.2313   95.475   11.122   97.306   9.5175  186.353   11.045  188.596   9.3390 -2.242722 14.46402 
1 1 1    4   21   41 o  101.022   12.708   31.984   6.3954   18.205   9.6784   42.664   8.5208   77.951   22.011  124.092   12.707 -46.14165 25.41562 
1 1 1    4   21   42 f  247.812   8.7368  168.199   11.699   0.0000   0.0000  168.199   11.699  ?   ?   247.812   8.7368      ?      ? 
1 1 1    4   21   43 o  167.457   7.8991   78.103   7.0621   73.519   10.655   81.695   9.4314  162.700   12.119  172.213   10.135 -9.513229 15.79827 
1 1 1    4   21   44 o  142.803   8.9848   58.822   6.6908   46.523   10.114   68.396   8.9224  128.340   14.583  157.266   10.499 -28.92596 17.96958 
1 1 1    4   21   45 o  270.588   6.4806  202.505   9.4070  192.100   13.948  211.188   12.741  263.832   9.7834  277.343   8.5015 -13.51108 12.96114 
1 1 1    4   21   46 o  104.791   12.231   33.198   6.4584   27.928   10.192   36.733   8.3484   95.500   20.372  114.082   13.542 -18.58195 24.46243 
1 1 1    4   21   47 o  210.514   7.1134  121.829   7.9813  129.725   12.506  116.403   10.367  215.840   10.723  205.189   9.3498 10.65042 14.22678 
1 1 1    4   21   48 o  208.484   7.0259  119.732   7.8099  127.326   12.219  114.486   10.155  213.632   10.584  203.337   9.2423 10.29440 14.05172 
1 1 1    4   21   49 o   56.089   14.229   8.2463   6.0482  -0.0233   9.7374   13.441   7.7173   46.237   20.291   65.940   19.953 -19.70381 28.45745 
1 1 1    4   21   50 o   52.004   16.969  -5.3513   11.098  -7.3964   16.599  -3.6982   14.924   52.036   24.233   51.972   23.759 0.6335449E-01 33.93722 
1 1 1    4   21   51 o  155.232   20.436   74.662   17.142   0.0000   0.0000   74.662   17.142  ?   ?   155.232   20.436      ?      ? 
1 1 1    4   21   52 o   93.588   25.819   31.351   13.482   31.351   13.482   0.0000   0.0000   93.588   25.819  ?   ?       ?      ? 
1 1 1    4   21   53 o   57.893   17.857   5.2486   10.299   2.5383   13.236   9.4077   16.397   53.043   23.452   62.743   26.935 -9.699924 35.71363 
1 1 1    4   21   54 o  195.517   9.7649  110.564   9.1929  112.748   17.465  109.728   10.812  193.593   16.695  197.440   10.134 -3.847229 19.52976 
1 1 1    4   21   55 o  162.029   9.0719   78.724   7.7524   70.451   11.871   84.876   10.237  152.700   14.387  171.358   11.055 -18.65791 18.14383 
1 1 1    4   21   56 o  193.082   7.8655  106.475   8.0639  117.713   12.867   99.205   10.348  200.391   11.883  185.773   10.309 14.61865 15.73092 
1 1 1    4   21   57 o   60.693   15.181   13.399   6.7243   6.5181   10.405   18.335   8.8116   50.809   21.624   70.577   21.313 -19.76786 30.36163 
1 1 1    4   22    0 o  460.354   7.3620  573.018   18.314   0.0000   0.0000  573.018   18.314  ?   ?   460.354   7.3620      ?      ? 
1 1 1    4   22    1 o  289.654   9.1150  226.944   14.267   0.0000   0.0000  226.944   14.267  ?   ?   289.654   9.1150      ?      ? 
1 1 1    4   22    2 o  395.707   8.5126  423.494   18.202   0.0000   0.0000  423.494   18.202  ?   ?   395.707   8.5126      ?      ? 
1 1 1    4   22    3 o  812.350   10.415  1785.71   45.717   0.0000   0.0000  1785.71   45.717  ?   ?   812.350   10.415      ?      ? 
1 1 1    4   22    4 o  395.010   9.2282  422.091   19.698   0.0000   0.0000  422.091   19.698  ?   ?   395.010   9.2282      ?      ? 
1 1 1    4   22    5 o  704.728   9.2981  1343.55   35.408   0.0000   0.0000  1343.55   35.408  ?   ?   704.728   9.2981      ?      ? 
1 1 1    4   22    6 o  181.071   8.9375   88.692   8.7449   0.0000   0.0000   88.692   8.7449  ?   ?   181.071   8.9375      ?      ? 
1 1 1    4   22    7 o  281.093   7.1581  213.656   10.873   0.0000   0.0000  213.656   10.873  ?   ?   281.093   7.1581      ?      ? 
1 1 1    4   22    8 o  295.175   11.890  235.969   18.964   0.0000   0.0000  235.969   18.964  ?   ?   295.175   11.890      ?      ? 
1 1 1    4   22    9 o  418.039   10.891  473.152   24.602   0.0000   0.0000  473.152   24.602  ?   ?   418.039   10.891      ?      ? 
1 1 1    4   22   10 o  368.842   7.0137  367.896   13.979   0.0000   0.0000  367.896   13.979  ?   ?   368.842   7.0137      ?      ? 
1 1 1    4   22   11 o  393.267   8.0103  416.995   15.952  424.099   28.071  413.607   19.386  395.572   13.132  390.961   9.1762 4.611206 16.02061 
1 1 1    4   22   12 o  1040.29   14.770  2964.87   72.594  2909.91  142.215  2984.23   84.421  1031.73   25.509  1048.86   14.895 -17.12708 29.53927 
1 1 1    4   22   13 o  189.628   8.6829   97.249   8.8890   92.511   12.274  102.475   12.891  184.780   12.293  194.477   12.266 -9.697754 17.36580 
1 1 1    4   22   17 o  162.576   11.463   72.565   9.7758   74.847   12.526   69.009   15.635  166.019   13.963  159.133   18.183 6.886185 22.92545 
1 1 1    4   22   18 o  419.449   8.5230  478.876   18.487  483.047   23.073  471.396   30.895  422.251   10.112  416.648   13.723 5.602936 17.04591 
1 1 1    4   22   19 o  408.110   9.7582  451.197   21.520   0.0000   0.0000  451.197   21.520  ?   ?   408.110   9.7582      ?      ? 
1 1 1    4   22   20 o  414.007   13.966  465.766   31.245   0.0000   0.0000  465.766   31.245  ?   ?   414.007   13.966      ?      ? 
1 1 1    4   22   21 o  371.966   10.375  378.266   20.727  355.180   30.450  398.198   28.294  361.171   15.602  382.760   13.680 -21.58853 20.75017 
1 1 1    4   22   22 o  394.118   10.323  423.770   21.881  374.324   30.774  474.324   31.117  370.657   15.365  417.579   13.790 -46.92245 20.64590 
1 1 1    4   22   23 o  353.857   10.065  342.062   19.179  323.874   27.810  358.559   26.484  344.718   14.930  362.995   13.502 -18.27628 20.12950 
1 1 1    4   22   24 o  247.231   14.520  166.622   19.398   0.0000   0.0000  166.622   19.398  ?   ?   247.231   14.520      ?      ? 
1 1 1    4   22   25 o  164.688   9.2840   74.338   8.1721   87.120   11.583   61.669   11.531  178.985   11.976  150.391   14.190 28.59352 18.56801 
1 1 1    4   22   27 o  482.461   7.3031  632.703   19.037  622.416   26.949  642.949   26.896  478.521   10.422  486.402   10.233 -7.881470 14.60616 
1 1 1    4   22   28 o   98.015   13.853   27.468   7.1677   21.493   10.275   33.132   10.004   86.266   21.979  109.763   16.867 -23.49684 27.70516 
1 1 1    4   22   29 o  153.371   9.2522   64.272   7.6596   68.060   10.879   60.550   10.786  157.895   12.751  148.848   13.410 9.047455 18.50436 
1 1 1    4   22   30 o  421.056   6.8873  480.529   15.644  446.732   21.479  518.716   22.831  405.318   9.8069  436.793   9.6731 -31.47470 13.77470 
1 1 1    4   22   31 o  214.673   9.9138  125.437   11.500   0.0000   0.0000  125.437   11.500  ?   ?   214.673   9.9138      ?      ? 
1 1 1    4   22   32 o  205.809   7.4960  115.984   8.2973  104.004   11.805  127.682   11.665  195.152   11.194  216.466   9.9725 -21.31421 14.99210 
1 1 1    4   22   33 o  257.765   6.6775  181.104   9.2636  160.525   12.942  202.723   13.265  242.644   9.8708  272.887   8.9957 -30.24266 13.35499 
1 1 1    4   22   34 o  110.899   11.539   33.701   6.8660   37.544   10.503   30.833   9.0732  116.285   16.715  105.514   15.913 10.77112 23.07874 
1 1 1    4   22   35 o  283.443   6.6034  219.316   10.095  214.581   14.634  223.615   13.945  280.431   9.6572  286.456   9.0087 -6.024963 13.20677 
1 1 1    4   22   36 o  188.610   7.6775   98.167   7.7678   88.187   11.261  107.226   10.729  179.206   11.629  198.015   10.027 -18.80867 15.35495 
1 1 1    4   22   37 o   84.838   14.087   21.911   6.7228   12.079   10.138   29.627   8.9816   66.748   23.088  102.927   16.149 -36.17865 28.17484 
1 1 1    4   22   38 o  123.305   10.178   42.310   6.7489   42.114   10.031   42.473   9.1222  122.863   15.109  123.747   13.642 -0.8841248 20.35676 
1 1 1    4   22   39 o  232.932   6.8015  149.444   8.5135  138.652   12.403  159.058   11.707  224.731   10.214  241.134   8.9845 -16.40309 13.60296 
1 1 1    4   22   40 f   85.623   13.544   22.876   6.4749   11.141   9.6975   32.317   8.6976   63.979   22.552  107.266   15.005 -43.28714 27.08818 
1 1 1    4   22   41 o  172.507   8.0084   83.451   7.3547   72.881   10.891   92.312   9.9716  161.907   12.449  183.108   10.078 -21.20131 16.01673 
1 1 1    4   22   42 o  246.586   8.8307  166.920   11.767   0.0000   0.0000  166.920   11.767  ?   ?   246.586   8.8307      ?      ? 
1 1 1    4   22   43 o  145.832   9.0378   60.610   6.9730   52.308   10.489   67.184   9.3341  136.094   14.263  155.570   11.103 -19.47641 18.07560 
1 1 1    4   22   44 o  182.700   7.7561   94.114   7.5062   83.882   11.405  101.935   9.9701  173.221   12.184  192.179   9.6007 -18.95769 15.51212 
1 1 1    4   22   45 o   92.137   13.205   24.363   6.4128   33.727   10.142   18.126   8.2775  107.581   17.446   76.693   19.828 30.88731 26.41052 
1 1 1    4   22   46 o  132.042   9.4311   48.308   6.5657   54.660   10.751   44.530   8.2915  138.292   14.387  125.791   12.198 12.50008 18.86216 
1 1 1    4   22   47 o   48.099   14.248   2.2998   6.1994   6.2640   9.6577  -0.4783   8.0849   54.194   21.709   42.004   18.460 12.19036 28.49618 
1 1 1    4   22   48 o   55.055   16.608   4.0216   8.3531   4.3317   10.223   3.3986   14.489   52.358   21.805   57.752   25.057 -5.394005 33.21592 
1 1 1    4   22   49 o   66.666   18.568   12.637   9.6324   11.795   12.261   13.993   15.567   64.185   24.836   69.146   27.610 -4.961090 37.13679 
1 1 1    4   22   50 o   55.153   16.883   0.1950   9.5847  -8.9887   12.632   12.655   14.714   43.694   20.599   66.611   26.756 -22.91665 33.76683 
1 1 1    4   22   51 o  126.948   25.793   57.207   17.090   0.0000   0.0000   57.207   17.090  ?   ?   126.948   25.793      ?      ? 
1 1 1    4   22   52 o  169.714   11.384   86.853   10.105   83.108   16.161   89.257   12.949  164.391   18.192  175.036   13.690 -10.64444 22.76801 
1 1 1    4   22   53 o   47.208   14.499  -0.3094   7.2854  -8.0934   10.201   7.7928   10.408   38.805   18.361   55.611   22.444 -16.80571 28.99747 
1 1 1    4   22   54 o  235.009   7.2515  160.167   9.1112  155.362   13.771  163.909   12.151  230.628   11.050  239.390   9.3932 -8.762985 14.50309 
1 1 1    4   22   55 o   46.137   14.316   2.3917   6.8540   0.2731   10.625   3.9019   8.9701   45.393   20.470   46.882   20.018 -1.488697 28.63139 
1 1 1    4   22   56 o   51.143   14.868   7.7375   6.7565   4.0545   10.335   10.486   8.9287   47.352   20.839   54.935   21.211 -7.583191 29.73519 
1 1 1    4   23    0 o  634.025   9.9662  1088.06   34.145   0.0000   0.0000  1088.06   34.145  ?   ?   634.025   9.9662      ?      ? 
1 1 1    4   23    1 o  380.510   11.170  392.078   22.968   0.0000   0.0000  392.078   22.968  ?   ?   380.510   11.170      ?      ? 
1 1 1    4   23    2 o  100.238   15.034   27.258   8.1432   0.0000   0.0000   27.258   8.1432  ?   ?   100.238   15.034      ?      ? 
1 1 1    4   23    3 o  398.241   9.2997  429.177   20.013   0.0000   0.0000  429.177   20.013  ?   ?   398.241   9.2997      ?      ? 
1 1 1    4   23    4 o  368.292   7.0217  366.806   13.974   0.0000   0.0000  366.806   13.974  ?   ?   368.292   7.0217      ?      ? 
1 1 1    4   23    5 o  362.718   7.9539  355.888   15.590   0.0000   0.0000  355.888   15.590  ?   ?   362.718   7.9539      ?      ? 
1 1 1    4   23    6 o  317.384   12.058  272.928   20.681   0.0000   0.0000  272.928   20.681  ?   ?   317.384   12.058      ?      ? 
1 1 1    4   23    7 o  133.855   11.574   48.540   8.3715   0.0000   0.0000   48.540   8.3715  ?   ?   133.855   11.574      ?      ? 
1 1 1    4   23    8 o  443.597   8.1202  532.412   19.464   0.0000   0.0000  532.412   19.464  ?   ?   443.597   8.1202      ?      ? 
1 1 1    4   23    9 o  454.234   7.3077  558.144   17.937   0.0000   0.0000  558.144   17.937  ?   ?   454.234   7.3077      ?      ? 
1 1 1    4   23   10 o  232.473   9.4588  146.334   11.882   0.0000   0.0000  146.334   11.882  ?   ?   232.473   9.4588      ?      ? 
1 1 1    4   23   11 o  245.256   8.1393  174.269   9.5303  138.108   17.293  190.043   11.421  225.513   14.191  265.000   7.9760 -39.48734 16.27851 
1 1 1    4   23   12 o  348.538   7.8496  319.415   13.570  354.054   25.296  305.419   16.080  361.204   12.960  335.871   8.8598 25.33246 15.69930 
1 1 1    4   23   13 o  317.701   7.8544  275.050   12.662  269.369   21.980  277.871   15.490  315.050   12.911  320.352   8.9482 -5.302429 15.70874 
1 1 1    4   23   14 o  148.790   16.278   39.890   10.821  127.883   24.320   18.172   12.082  216.277   20.810   81.303   25.038 134.9737 32.55699 
1 1 1    4   23   15 o  165.589   16.966   75.829   14.831   72.658   23.350   77.973   19.202  162.359   26.615  168.819   21.049 -6.459946 33.93253 
1 1 1    4   23   16 o  300.069   17.489  245.495   28.358  245.495   28.358   0.0000   0.0000  300.069   17.489  ?   ?       ?      ? 
1 1 1    4   23   17 o  208.821   21.890  119.617   24.700  119.617   24.700   0.0000   0.0000  208.821   21.890  ?   ?       ?      ? 
1 1 1    4   23   18 o   60.562   26.656  -4.0878   16.916   0.0000   0.0000  -4.0878   16.916  ?   ?    60.562   26.656      ?      ? 
1 1 1    4   23   19 o  334.233   14.622  304.279   26.408   0.0000   0.0000  304.279   26.408  ?   ?   334.233   14.622      ?      ? 
1 1 1    4   23   20 o   97.007   16.969   20.446   9.0905   8.3051   10.854   48.964   16.636   62.952   23.602  131.062   24.387 -68.10959 33.93828 
1 1 1    4   23   21 o  122.834   12.248   41.232   8.1141   44.948   11.708   37.798   11.256  128.188   16.902  117.479   17.730 10.70901 24.49610 
1 1 1    4   23   22 o  257.264   7.4835  179.917   10.357  158.539   14.485  202.276   14.814  241.548   11.098  272.981   10.042 -31.43228 14.96692 
1 1 1    4   23   25 o  325.948   6.8075  288.577   11.982  273.722   16.769  304.071   17.126  317.352   9.7786  334.544   9.4735 -17.19150 13.61502 
1 1 1    4   23   28 o  179.600   8.3084   88.063   8.0499   81.802   11.326   94.455   11.444  173.090   12.109  186.109   11.379 -13.01926 16.61673 
1 1 1    4   23   29 f  320.546   6.7315  279.992   11.643  271.631   16.766  287.778   16.180  315.843   9.8238  325.249   9.2059 -9.405701 13.46308 
1 1 1    4   23   30 o  400.413   9.3590  436.598   20.250   0.0000   0.0000  436.598   20.250  ?   ?   400.413   9.3590      ?      ? 
1 1 1    4   23   31 o  208.405   10.267  118.529   11.562   0.0000   0.0000  118.529   11.562  ?   ?   208.405   10.267      ?      ? 
1 1 1    4   23   32 o  183.066   8.1760   92.188   8.0340   80.324   11.387  103.948   11.337  171.120   12.315  195.012   10.758 -23.89198 16.35203 
1 1 1    4   23   33 o   72.905   16.049   15.137   7.0030   16.837   10.198   13.621   9.6339   76.173   22.911   69.638   22.482 6.535278 32.09893 
1 1 1    4   23   34 o  145.103   9.3590   58.774   7.2510   51.564   10.631   65.046   9.9155  136.398   14.423  153.807   11.930 -17.40919 18.71810 
1 1 1    4   23   35 o  106.156   12.303   32.896   6.7044   25.389   9.7500   39.629   9.2339   92.849   20.022  119.464   14.304 -26.61464 24.60663 
1 1 1    4   23   36 o   87.865   13.260   20.753   6.6452   39.878   10.358   7.3734   8.6631  119.302   16.067   56.428   21.100 62.87448 26.52039 
1 1 1    4   23   37 o  121.048   10.380   40.696   6.7651   43.363   10.103   38.529   9.1085  124.533   15.014  117.562   14.338 6.971207 20.76053 
1 1 1    4   23   38 o  266.776   8.8954  194.949   12.823   0.0000   0.0000  194.949   12.823  ?   ?   266.776   8.8954      ?      ? 
1 1 1    4   23   39 o  156.276   8.7317   68.024   7.3057   66.576   11.033   69.154   9.7490  154.477   13.218  158.076   11.413 -3.598877 17.46344 
1 1 1    4   23   40 o   99.533   12.755   28.588   6.5999   39.067   9.9011   20.208   8.8537  117.391   15.608   81.675   20.178 35.71591 25.51065 
1 1 1    4   23   41 o   93.255   13.722   25.313   6.8131   33.855   10.356   18.795   9.0466  108.244   17.705   78.266   20.968 29.97791 27.44333 
1 1 1    4   23   42 o   57.112   14.730   8.1055   6.2734   2.0096   9.6193   12.617   8.2754   49.118   20.844   65.105   20.817 -15.98716 29.45942 
1 1 1    4   23   43 o  153.836   8.9648   67.596   7.3056   59.229   11.008   74.181   9.7663  144.480   14.100  163.192   11.075 -18.71240 17.92957 
1 1 1    4   23   44 o  145.746   9.1925   60.204   7.0963   59.121   11.120   60.948   9.2169  143.966   14.295  147.526   11.562 -3.560410 18.38504 
1 1 1    4   23   45 o   78.065   17.928   17.388   8.4340   11.379   10.284   29.730   14.738   62.980   23.092   93.150   27.431 -30.16983 35.85667 
1 1 1    4   23   46 o  273.214   9.8530  210.916   14.438  194.459   19.054  233.108   22.126  261.303   13.494  285.125   14.361 -23.82217 19.70606 
1 1 1    4   23   47 o   98.147   18.223   34.497   10.336   43.739   13.571   21.727   15.952  116.808   22.315   79.487   28.817 37.32081 36.44676 
1 1 1    4   23   48 o   69.469   18.834   14.993   10.024   17.854   13.322   11.259   15.218   73.283   26.368   65.655   26.900 7.627625 37.66764 
1 1 1    4   23   49 o   77.858   15.764   22.492   7.6047   9.7342   13.908   27.934   9.0828   61.568   25.519   94.149   18.513 -32.58062 31.52732 
1 1 1    4   23   50 o   44.729   14.181  -0.5860   7.0175  -1.9740   11.051   0.3519   9.0841   45.417   20.639   44.041   19.452 1.376041 28.36114 
1 1 1    4   23   51 o  241.244   10.961  197.022   11.889  109.572   20.079  244.240   14.754  186.913   19.880  295.575   9.2376 -108.6616 21.92136 
1 1 1    4   23   52 o  101.928   15.167   46.151   8.6625   11.358   17.062   58.234   10.055   63.173   27.299  140.682   13.227 -77.50877 30.33477 
1 1 1    4   23   53 o  135.663   11.227   57.995   8.1009   69.479   11.609   47.095   11.310  150.647   14.261  120.678   17.344 29.96853 22.45372 
1 1 1    4   23   54 o   65.328   14.409   14.230   7.0294  -0.2140   10.514   25.906   9.4529   44.453   20.174   86.204   20.578 -41.75158 28.81762 
1 1 1    4   23   55 o   88.600   13.864   30.357   7.0421   15.020   10.657   42.246   9.3826   61.516   23.315  115.683   15.009 -54.16724 27.72875 
1 1 1    4   24    0 o  375.138   9.1870  381.068   18.623   0.0000   0.0000  381.068   18.623  ?   ?   375.138   9.1870      ?      ? 
1 1 1    4   24    1 o  361.424   7.0752  353.399   13.818   0.0000   0.0000  353.399   13.818  ?   ?   361.424   7.0752      ?      ? 
1 1 1    4   24    2 o  311.490   8.9788  262.707   15.113   0.0000   0.0000  262.707   15.113  ?   ?   311.490   8.9788      ?      ? 
1 1 1    4   24    3 o  141.993   11.029   54.651   8.4621   0.0000   0.0000   54.651   8.4621  ?   ?   141.993   11.029      ?      ? 
1 1 1    4   24    4 o  133.081   11.709   48.027   8.4203   0.0000   0.0000   48.027   8.4203  ?   ?   133.081   11.709      ?      ? 
1 1 1    4   24    5 o  356.831   7.2320  344.504   13.945   0.0000   0.0000  344.504   13.945  ?   ?   356.831   7.2320      ?      ? 
1 1 1    4   24    6 o   78.934   20.214   17.667   8.6596   0.0000   0.0000   17.667   8.6596  ?   ?    78.934   20.214      ?      ? 
1 1 1    4   24    7 o  730.107   13.400  1447.40   52.867   0.0000   0.0000  1447.40   52.867  ?   ?   730.107   13.400      ?      ? 
1 1 1    4   24    8 o  179.764   12.441   87.692   12.085   0.0000   0.0000   87.692   12.085  ?   ?   179.764   12.441      ?      ? 
1 1 1    4   24   11 o  260.301   9.8615  183.621   13.871   0.0000   0.0000  183.621   13.871  ?   ?   260.301   9.8615      ?      ? 
1 1 1    4   24   14 o  590.688   10.088  927.812   29.605  1006.08   54.736  895.445   35.198  607.065   16.686  574.311   11.342 32.75439 20.17554 
1 1 1    4   24   15 o  138.344   15.640   52.213   11.692   52.213   11.692   0.0000   0.0000  138.344   15.640  ?   ?       ?      ? 
1 1 1    4   24   16 o   98.406   16.255   29.765   8.7747   38.141   11.069   15.601   14.394  118.074   17.349   78.738   27.495 39.33637 32.51080 
1 1 1    4   24   17 o  115.552   14.041   36.635   8.5282   41.644   13.185   33.031   11.182  123.095   19.822  108.009   19.892 15.08620 28.08241 
1 1 1    4   24   18 o  196.865   9.1215  105.159   9.6112  108.063   14.724  103.003   12.687  199.132   13.684  194.600   12.065 4.532059 18.24305 
1 1 1    4   24   19 o  403.696   9.8704  442.427   21.532   0.0000   0.0000  442.427   21.532  ?   ?   403.696   9.8704      ?      ? 
1 1 1    4   24   20 o  173.632   8.9601   81.930   8.3883   74.693   11.566   89.963   12.184  165.533   12.930  181.730   12.408 -16.19678 17.92015 
1 1 1    4   24   21 o  271.764   10.181  200.767   14.950   0.0000   0.0000  200.767   14.950  ?   ?   271.764   10.181      ?      ? 
1 1 1    4   24   22 o  243.565   7.3248  161.246   9.6360  154.783   13.430  168.103   13.833  238.529   10.420  248.600   10.298 -10.07172 14.64962 
1 1 1    4   24   23 o   81.898   15.613   19.141   7.6758   8.2945   11.075   29.168   10.648   62.894   23.785  100.902   20.234 -38.00876 31.22695 
1 1 1    4   24   24 o  335.098   6.7834  304.494   12.264  282.221   16.921  329.144   17.801  322.193   9.7189  348.003   9.4659 -25.81021 13.56690 
1 1 1    4   24   25 o  140.365   10.658   54.611   7.9723   64.560   11.241   44.541   11.309  153.568   13.546  127.161   16.458 26.40707 21.31533 
1 1 1    4   24   26 o  157.387   9.1858   67.796   7.8102   69.443   11.198   66.236   10.899  159.244   13.013  155.531   12.968 3.713074 18.37154 
1 1 1    4   24   27 o  150.520   9.7632   62.752   7.8721   56.575   11.516   68.169   10.785  143.311   14.871  157.729   12.654 -14.41765 19.52642 
1 1 1    4   24   28 o  184.709   8.3609   93.669   8.3186   88.440   12.021   98.476   11.524  179.630   12.384  189.787   11.237 -10.15688 16.72187 
1 1 1    4   24   30 o   56.340   15.619   5.7945   6.9533   4.2829   10.116   7.1481   9.5732   54.662   22.104   58.018   22.072 -3.356178 31.23739 
1 1 1    4   24   31 o  114.354   11.436   36.401   7.0566   36.342   10.252   36.454   9.7279  114.174   16.617  114.535   15.718 -0.3616638 22.87287 
1 1 1    4   24   32 o  262.568   9.3985  188.404   13.335   0.0000   0.0000  188.404   13.335  ?   ?   262.568   9.3985      ?      ? 
1 1 1    4   24   33 o  225.008   10.110  138.719   12.292   0.0000   0.0000  138.719   12.292  ?   ?   225.008   10.110      ?      ? 
1 1 1    4   24   34 o  139.035   9.7050   53.655   7.2689   59.289   10.414   48.304   10.150  146.296   13.173  131.773   14.255 14.52351 19.40997 
1 1 1    4   24   35 o   73.101   15.064   15.668   6.6394   9.2070   9.4876   21.868   9.2945   60.594   22.185   85.607   20.385 -25.01314 30.12811 
1 1 1    4   24   36 o  237.240   9.5662  154.545   12.264   0.0000   0.0000  154.545   12.264  ?   ?   237.240   9.5662      ?      ? 
1 1 1    4   24   37 o  168.332   8.3357   78.439   7.5321   79.542   11.351   77.571   10.068  169.153   12.418  167.510   11.123 1.642929 16.67138 
1 1 1    4   24   38 o  121.853   10.969   43.081   7.0254   34.274   10.367   50.560   9.5536  109.254   17.560  134.452   13.150 -25.19722 21.93766 
1 1 1    4   24   39 o  199.173   10.340  109.719   11.128   0.0000   0.0000  109.719   11.128  ?   ?   199.173   10.340      ?      ? 
1 1 1    4   24   40 o  117.590   10.977   39.169   6.9520   42.735   10.349   36.236   9.3849  122.387   15.648  112.793   15.398 9.594383 21.95369 
1 1 1    4   24   41 o  141.774   9.3578   57.136   7.1019   49.993   10.244   63.746   9.8541  132.679   14.289  150.868   12.087 -18.18887 18.71562 
1 1 1    4   24   42 o   84.937   16.296   24.688   8.0332   30.355   9.9564   14.117   13.598   99.905   19.140   69.970   26.381 29.93548 32.59236 
1 1 1    4   24   43 o   99.258   17.629   32.172   9.3168   30.698   12.067   34.347   14.661   97.565   23.223  100.950   26.529 -3.384331 35.25760 
1 1 1    4   24   44 o  200.986   10.761  115.910   11.540  112.005   15.074  121.441   17.937  197.839   14.100  204.133   16.261 -6.293777 21.52262 
1 1 1    4   24   45 o   99.368   17.901   34.368   9.8774   41.059   12.992   25.203   15.205  113.683   21.944   85.054   28.289 28.62874 35.80267 
1 1 1    4   24   46 o  110.535   18.464   41.608   10.750   39.189   14.109   44.955   16.598  107.895   24.728  113.176   27.427 -5.281113 36.92868 
1 1 1    4   24   47 o   86.452   15.876   25.314   7.3292   22.839   12.521   26.603   9.0396   80.849   25.581   92.054   18.808 -11.20480 31.75111 
1 1 1    4   24   48 o   82.676   16.372   21.363   7.6209   35.622   12.904   13.724   9.4440  101.021   23.994   64.332   22.282 36.68925 32.74455 
1 1 1    4   24   49 o   43.569   14.281  -4.5532   7.8169  -8.2456   13.109  -2.5159   9.7374   44.553   20.998   42.585   19.361 1.968163 28.56126 
1 1 1    4   24   50 o   42.901   14.019  -4.8858   7.7735 -12.9978   12.693  -0.0169   9.8334   40.683   19.580   45.120   20.068 -4.437809 28.03764 
1 1 1    4   24   51 o  135.548   13.101   63.893   8.4753   46.051   13.379   75.852   10.953  111.882   22.901  159.214   12.731 -47.33208 26.20179 
1 1 1    4   24   52 o   74.340   18.077   22.022   8.5221   18.604   18.558   22.935   9.5934   68.347   28.976   80.332   21.622 -11.98526 36.15410 
1 1 1    4   24   53 f  172.862   10.106   95.291   8.9760   72.018   13.505  113.705   12.013  149.223   16.749  196.501   11.314 -47.27722 20.21191 
1 1 1    4   25    0 o  154.578   14.946   65.049   12.484   0.0000   0.0000   65.049   12.484  ?   ?   154.578   14.946      ?      ? 
1 1 1    4   25    2 o  466.086   10.410  589.133   26.218   0.0000   0.0000  589.133   26.218  ?   ?   466.086   10.410      ?      ? 
1 1 1    4   25    3 o  226.275   11.514  138.977   14.078   0.0000   0.0000  138.977   14.078  ?   ?   226.275   11.514      ?      ? 
1 1 1    4   25    4 o  102.979   21.649   30.189   11.665   0.0000   0.0000   30.189   11.665  ?   ?   102.979   21.649      ?      ? 
1 1 1    4   25    6 o  304.818   9.8185  251.946   16.172   0.0000   0.0000  251.946   16.172  ?   ?   304.818   9.8185      ?      ? 
1 1 1    4   25    7 o  205.063   11.079  114.153   12.277   0.0000   0.0000  114.153   12.277  ?   ?   205.063   11.079      ?      ? 
1 1 1    4   25    8 o  277.620   8.8737  208.891   13.312   0.0000   0.0000  208.891   13.312  ?   ?   277.620   8.8737      ?      ? 
1 1 1    4   25    9 o  151.921   10.524   62.642   8.6396   0.0000   0.0000   62.642   8.6396  ?   ?   151.921   10.524      ?      ? 
1 1 1    4   25   10 o  338.928   7.0824  311.022   12.971   0.0000   0.0000  311.022   12.971  ?   ?   338.928   7.0824      ?      ? 
1 1 1    4   25   11 o   90.942   16.838   23.319   7.9697   0.0000   0.0000   23.319   7.9697  ?   ?    90.942   16.838      ?      ? 
1 1 1    4   25   12 o  383.096   10.857  398.633   22.475   0.0000   0.0000  398.633   22.475  ?   ?   383.096   10.857      ?      ? 
1 1 1    4   25   13 o  451.135   8.3565  546.006   18.956  573.874   34.055  533.494   22.818  458.849   13.735  443.421   9.5229 15.42828 16.71308 
1 1 1    4   25   14 o  256.500   7.3907  178.454   9.4104  179.369   17.120  178.058   11.265  256.701   12.342  256.299   8.1336 0.4018250 14.78139 
1 1 1    4   25   15 o  108.842   15.421   35.876   9.7880   64.257   13.624   5.5991   14.072  153.138   16.464   64.545   26.081 88.59317 30.84242 
1 1 1    4   25   16 o  270.582   8.2022  195.833   11.741  215.901   18.979  183.392   14.943  281.455   12.479  259.708   10.648 21.74777 16.40439 
1 1 1    4   25   17 o   51.793   16.016  -2.0567   8.5110  -5.0428   13.012   0.1759   11.251   51.143   22.891   52.443   22.407 -1.300179 32.03233 
1 1 1    4   25   18 o  142.874   10.988   56.013   8.4791   54.005   11.975   58.031   12.008  140.270   15.798  145.478   15.275 -5.208389 21.97539 
1 1 1    4   25   19 o  115.799   13.400   38.360   7.9746   47.831   11.196   28.608   11.361  132.016   15.695   99.582   21.724 32.43426 26.80040 
1 1 1    4   25   20 o  173.419   9.3682   82.173   8.7781   81.280   12.314   83.096   12.517  172.467   13.213  174.371   13.284 -1.904724 18.73638 
1 1 1    4   25   21 o  257.244   10.470  180.151   14.554   0.0000   0.0000  180.151   14.554  ?   ?   257.244   10.470      ?      ? 
1 1 1    4   25   22 o  129.524   11.470   46.302   8.0140   48.819   11.248   43.706   11.421  133.196   15.627  125.851   16.795 7.345306 22.94054 
1 1 1    4   25   23 o  152.964   9.9805   64.171   8.2423   66.469   11.968   62.098   11.368  155.543   14.239  150.385   13.990 5.158279 19.96103 
1 1 1    4   25   24 o  248.876   10.176  168.910   13.685   0.0000   0.0000  168.910   13.685  ?   ?   248.876   10.176      ?      ? 
1 1 1    4   25   25 o  106.317   13.258   31.934   7.4604   30.317   10.288   33.727   10.834  102.624   19.260  110.010   18.226 -7.386032 26.51631 
1 1 1    4   25   26 o  118.813   11.686   39.219   7.4768   35.331   10.517   43.194   10.632  112.706   17.268  124.919   15.751 -12.21207 23.37229 
1 1 1    4   25   27 o  192.325   11.322  101.269   11.767   0.0000   0.0000  101.269   11.767  ?   ?   192.325   11.322      ?      ? 
1 1 1    4   25   28 o  101.629   14.248   30.175   7.6260   23.978   11.023   35.864   10.562   89.936   22.684  113.322   17.247 -23.38583 28.49657 
1 1 1    4   25   29 o  274.164   9.9570  205.634   14.751   0.0000   0.0000  205.634   14.751  ?   ?   274.164   9.9570      ?      ? 
1 1 1    4   25   30 o   90.734   14.475   24.623   7.1757   31.889   9.8478   16.399   10.477  106.545   17.105   74.922   23.356 31.62331 28.94957 
1 1 1    4   25   31 o  106.511   13.454   32.748   7.5594   35.359   10.662   30.109   10.720  111.952   17.624  101.071   20.332 10.88136 26.90747 
1 1 1    4   25   32 f  115.225   12.905   38.979   7.5256   26.191   10.557   52.193   10.731   93.622   21.342  136.829   14.514 -43.20668 25.80920 
1 1 1    4   25   33 o  233.684   7.4896  150.502   9.4306  137.056   13.289  164.142   13.385  222.974   11.030  244.393   10.135 -21.41913 14.97919 
1 1 1    4   25   34 f  179.659   11.444   89.298   11.110   0.0000   0.0000   89.298   11.110  ?   ?   179.659   11.444      ?      ? 
1 1 1    4   25   35 o  342.474   9.2634  322.079   17.143   0.0000   0.0000  322.079   17.143  ?   ?   342.474   9.2634      ?      ? 
1 1 1    4   25   37 o   63.052   16.731   10.159   8.0483   14.548   9.9354   1.7811   13.726   69.647   22.853   56.456   24.441 13.19140 33.46110 
1 1 1    4   25   38 o   74.666   15.975   17.224   8.4888   28.145   10.674  -1.5694   14.002   95.679   21.203   53.653   23.899 42.02573 31.94905 
1 1 1    4   25   39 o  225.577   9.8680  144.393   11.983  146.306   16.334  142.162   17.634  227.699   13.275  223.454   14.604 4.245346 19.73590 
1 1 1    4   25   40 o   65.165   16.746   8.9104   9.0790   22.313   12.289  -7.1982   13.472   82.739   25.210   47.591   22.049 35.14848 33.49188 
1 1 1    4   25   41 o   69.683   18.342   14.255   9.0533   13.099   11.551   16.097   14.578   66.685   24.469   72.681   27.332 -5.995895 36.68488 
1 1 1    4   25   42 o   68.597   18.089   13.846   8.8198   13.414   11.205   14.550   14.300   66.874   24.166   70.321   26.922 -3.447144 36.17745 
1 1 1    4   25   43 o   97.982   15.162   29.807   7.7138   35.068   12.123   26.228   9.9993  104.834   22.096   91.130   20.768 13.70349 30.32435 
1 1 1    4   25   44 o   69.382   15.842   15.458   6.7477   16.857   10.001   14.289   9.1424   71.818   22.876   66.945   21.920 4.873695 31.68323 
1 1 1    4   25   45 o  115.755   11.538   39.935   7.1539   37.685   10.613   41.808   9.6850  111.948   17.544  119.563   14.991 -7.615021 23.07603 
1 1 1    4   25   46 o   94.765   13.965   28.306   7.0537   37.665   10.688   21.084   9.3889  110.446   17.908   79.084   21.435 31.36240 27.93087 
1 1 1    4   25   47 o  178.749   8.9428   94.262   8.3691   71.488   12.134  114.929   11.559  155.987   14.395  201.512   10.615 -45.52544 17.88564 
1 1 1    4   25   48 o  103.259   14.289   34.159   7.6486   35.835   11.501   32.830   10.242  104.900   21.021  101.618   19.359 3.282051 28.57720 
1 1 1    4   25   49 o  251.314   7.3360  181.777   9.9336  174.816   14.406  188.088   13.716  246.040   10.836  256.589   9.8922 -10.54892 14.67205 
1 1 1    4   25   50 o   55.357   15.305   8.5757   7.3125  -0.3216   10.779   16.161   9.9530   44.702   20.341   66.011   22.874 -21.30899 30.61005 
1 1 1    4   25   51 o   68.957   14.705   16.516   7.3064   2.0389   10.666   29.315   10.029   46.600   20.801   91.313   20.791 -44.71264 29.41006 
1 1 1    4   26    0 o  158.500   11.669   68.305   9.9940   0.0000   0.0000   68.305   9.9940  ?   ?   158.500   11.669      ?      ? 
1 1 1    4   26    1 o  457.065   8.9203  566.527   22.032   0.0000   0.0000  566.527   22.032  ?   ?   457.065   8.9203      ?      ? 
1 1 1    4   26    2 o  172.277   11.924   80.723   11.100   0.0000   0.0000   80.723   11.100  ?   ?   172.277   11.924      ?      ? 
1 1 1    4   26    3 f   99.046   15.556   26.809   8.3260   0.0000   0.0000   26.809   8.3260  ?   ?    99.046   15.556      ?      ? 
1 1 1    4   26    4 o  201.628   8.6671  110.235   9.4430   0.0000   0.0000  110.235   9.4430  ?   ?   201.628   8.6671      ?      ? 
1 1 1    4   26    5 o  276.294   7.2263  206.778   10.789   0.0000   0.0000  206.778   10.789  ?   ?   276.294   7.2263      ?      ? 
1 1 1    4   26    6 o  112.249   13.630   34.358   8.2675   0.0000   0.0000   34.358   8.2675  ?   ?   112.249   13.630      ?      ? 
1 1 1    4   26    7 o  109.615   13.179   32.752   7.8059   0.0000   0.0000   32.752   7.8059  ?   ?   109.615   13.179      ?      ? 
1 1 1    4   26    8 o  223.668   8.1547  135.642   9.8560   0.0000   0.0000  135.642   9.8560  ?   ?   223.668   8.1547      ?      ? 
1 1 1    4   26    9 o   62.859   20.636   10.526   8.1008   0.0000   0.0000   10.526   8.1008  ?   ?    62.859   20.636      ?      ? 
1 1 1    4   26   10 o  251.415   9.3548  171.649   12.709   0.0000   0.0000  171.649   12.709  ?   ?   251.415   9.3548      ?      ? 
1 1 1    4   26   11 o  211.060   15.105  122.031   17.227   0.0000   0.0000  122.031   17.227  ?   ?   211.060   15.105      ?      ? 
1 1 1    4   26   12 o  264.385   13.131  190.914   18.760   0.0000   0.0000  190.914   18.760  ?   ?   264.385   13.131      ?      ? 
1 1 1    4   26   13 o  318.456   7.8952  275.099   13.586   0.0000   0.0000  275.099   13.586  ?   ?   318.456   7.8952      ?      ? 
1 1 1    4   26   14 o  156.163   12.017   68.398   9.9295   76.554   13.334   58.243   14.877  167.165   14.761  145.161   18.967 22.00484 24.03403 
1 1 1    4   26   15 o  167.567   9.2090   72.351   7.7358   88.446   14.401   65.823   9.1713  179.650   14.835  155.484   10.916 24.16614 18.41792 
1 1 1    4   26   16 o   92.407   16.546   24.308   8.3411   31.441   12.492   18.568   11.205  104.158   22.826   80.655   23.961 23.50322 33.09262 
1 1 1    4   26   17 o  134.632   11.144   49.721   8.0661   43.174   11.118   56.996   11.720  125.196   16.434  144.069   15.055 -18.87339 22.28756 
1 1 1    4   26   18 o  210.490   8.2186  121.003   9.3402  115.025   13.174  127.046   13.244  205.212   11.881  215.769   11.359 -10.55701 16.43717 
1 1 1    4   26   19 o  232.228   7.8629  147.215   9.8616  147.358   14.184  147.081   13.720  232.298   11.300  232.157   10.937 0.1406555 15.72571 
1 1 1    4   26   20 o  193.424   8.4740  102.080   8.8412   94.255   12.163  110.846   12.873  185.557   12.131  201.290   11.835 -15.73285 16.94795 
1 1 1    4   26   21 o  176.119   9.2915   84.882   8.8234   93.071   12.862   77.603   12.127  184.162   12.925  168.076   13.352 16.08534 18.58308 
1 1 1    4   26   22 o  249.253   7.4539  169.189   10.019  154.940   13.803  185.056   14.566  238.145   10.726  260.360   10.353 -22.21513 14.90780 
1 1 1    4   26   23 o  198.539   8.3031  107.402   8.8330   89.367   12.052  128.331   12.983  180.481   12.358  216.597   11.093 -36.11548 16.60629 
1 1 1    4   26   24 o  207.451   8.1904  117.834   9.1682  119.838   13.375  116.058   12.592  209.048   11.840  205.855   11.320 3.192947 16.38083 
1 1 1    4   26   25 o   86.803   22.262   22.317   10.492   0.0000   0.0000   22.317   10.492  ?   ?    86.803   22.262      ?      ? 
1 1 1    4   26   26 o   81.906   15.625   19.872   7.2053   14.982   10.166   24.807   10.214   72.240   23.071   91.573   21.078 -19.33294 31.24942 
1 1 1    4   26   27 o  202.851   8.0712  112.955   8.7563   92.487   12.054  135.826   12.741  183.180   12.177  222.522   10.596 -39.34189 16.14230 
1 1 1    4   26   28 o  213.846   11.065  125.701   12.786   0.0000   0.0000  125.701   12.786  ?   ?   213.846   11.065      ?      ? 
1 1 1    4   26   29 o  196.648   8.4617  106.743   8.9634   96.104   12.539  117.862   12.818  186.456   12.445  206.840   11.469 -20.38351 16.92337 
1 1 1    4   26   30 o   87.529   15.884   22.986   7.5507   20.113   10.226   26.431   11.197   81.609   22.474   93.450   22.454 -11.84099 31.76854 
1 1 1    4   26   31 f  137.439   12.530   52.807   9.1405   48.372   11.693   59.775   14.656  130.633   16.565  144.245   18.803 -13.61128 25.05923 
1 1 1    4   26   32 o  177.170   10.327   88.993   9.4406   91.124   11.826   85.248   15.674  181.195   12.079  173.144   16.753 8.050385 20.65332 
1 1 1    4   26   33 o  145.148   14.030   64.398   10.157   75.631   13.401   49.234   15.570  163.611   15.158  126.684   23.613 36.92672 28.05970 
1 1 1    4   26   34 o   88.030   18.295   24.379   9.2376   21.428   12.283   28.221   14.015   82.476   25.220   93.584   26.509 -11.10813 36.58910 
1 1 1    4   26   35 o   65.205   17.729   10.101   8.6512   7.4077   11.101   14.268   13.806   58.963   23.387   71.448   26.652 -12.48488 35.45804 
1 1 1    4   26   36 o   51.016   16.031  -2.7571   8.7933  -7.3604   11.434   3.9054   13.756   43.630   20.249   58.401   24.860 -14.77057 32.06296 
1 1 1    4   26   37 o  263.229   9.3877  195.837   13.275  196.959   17.883  194.459   19.812  264.717   12.502  261.741   14.008 2.976532 18.77539 
1 1 1    4   26   38 o  121.202   14.707   43.313   9.2821   36.577   11.855   53.986   14.922  108.677   20.946  133.728   20.650 -25.05107 29.41378 
1 1 1    4   26   39 o  101.492   15.408   32.397   8.0792   33.536   12.713   31.625   10.464  101.787   23.577  101.196   19.845 0.5903473 30.81699 
1 1 1    4   26   40 o  175.089   8.6302   86.706   8.1310   83.667   11.917   89.352   11.122  171.818   12.836  178.359   11.540 -6.541351 17.26032 
1 1 1    4   26   41 o   60.458   13.410   4.3859   6.8854   24.092   9.8411 -14.5119   9.6370   86.991   21.142   33.925   16.502 53.06556 26.81982 
1 1 1    4   26   42 o  115.036   12.037   39.300   7.4723   42.207   10.815   36.645   10.336  119.246   16.784  110.826   17.260 8.420334 24.07475 
1 1 1    4   26   43 o   46.489   14.270   0.5360   6.7602   4.9379   9.8536  -3.3782   9.2918   51.796   21.476   41.181   18.796 10.61560 28.53901 
1 1 1    4   26   44 o  194.067   8.2454  108.500   8.5846   96.791   12.345  119.462   11.945  183.068   12.480  205.066   10.780 -21.99797 16.49087 
1 1 1    4   26   45 o  161.939   9.3866   76.659   8.0895   62.131   11.401   91.389   11.480  145.262   14.525  178.616   11.894 -33.35393 18.77314 
1 1 1    4   26   46 o  168.786   8.9257   82.184   8.0898   71.957   11.405   92.538   11.476  157.537   13.398  180.035   11.797 -22.49792 17.85132 
1 1 1    4   26   47 o   43.380   13.930  -1.3459   7.1295  -3.2705   10.385   0.3696   9.8050   42.195   19.482   44.565   19.914 -2.370064 27.85906 
1 1 1    4   26   48 o  163.883   9.4064   80.803   8.3171   86.956   12.108   75.307   11.444  169.921   13.187  157.845   13.417 12.07567 18.81284 
1 1 1    4   26   49 o   75.920   16.414   21.700   7.5005   17.951   11.041   24.913   10.221   68.885   24.079   82.955   22.315 -14.07020 32.82861 
1 1 1    4   26   50 o   97.924   16.424   47.865   11.436   10.115   21.051   63.671   13.622   58.459   27.246  137.390   18.348 -78.93156 32.84791 
1 1 1    4   27    0 o  157.679   13.415   67.951   11.430   0.0000   0.0000   67.951   11.430  ?   ?   157.679   13.415      ?      ? 
1 1 1    4   27    1 o  129.187   18.320   46.063   12.789   0.0000   0.0000   46.063   12.789  ?   ?   129.187   18.320      ?      ? 
1 1 1    4   27    2 o  262.749   10.882  187.943   15.450   0.0000   0.0000  187.943   15.450  ?   ?   262.749   10.882      ?      ? 
1 1 1    4   27    5 o   96.525   23.225   27.038   11.967   0.0000   0.0000   27.038   11.967  ?   ?    96.525   23.225      ?      ? 
1 1 1    4   27    6 o  147.117   15.836   59.420   12.589   0.0000   0.0000   59.420   12.589  ?   ?   147.117   15.836      ?      ? 
1 1 1    4   27    7 o  210.734   12.383  121.180   14.101   0.0000   0.0000  121.180   14.101  ?   ?   210.734   12.383      ?      ? 
1 1 1    4   27    9 o  330.593   10.440  297.469   18.650   0.0000   0.0000  297.469   18.650  ?   ?   330.593   10.440      ?      ? 
1 1 1    4   27   10 o  204.998   13.125  114.918   14.540   0.0000   0.0000  114.918   14.540  ?   ?   204.998   13.125      ?      ? 
1 1 1    4   27   11 o  145.446   16.962   58.364   13.331   0.0000   0.0000   58.364   13.331  ?   ?   145.446   16.962      ?      ? 
1 1 1    4   27   12 o   95.818   23.167   26.810   11.863   0.0000   0.0000   26.810   11.863  ?   ?    95.818   23.167      ?      ? 
1 1 1    4   27   14 o   52.445   16.270  -1.8169   8.4952  -2.1356   10.579  -1.2383   14.256   48.012   21.107   56.879   24.766 -8.866417 32.54035 
1 1 1    4   27   15 o  118.626   13.295   40.176   7.8363   38.514   13.284   41.064   9.7049  115.153   22.152  122.100   14.709 -6.946831 26.59094 
1 1 1    4   27   16 o  130.569   11.137   45.556   7.6639   54.302   12.646   40.479   9.6349  139.954   16.721  121.183   14.714 18.77100 22.27311 
1 1 1    4   27   17 o  166.154   10.868   73.934   9.4789   67.077   11.852   86.104   15.790  156.095   14.052  176.212   16.582 -20.11668 21.73528 
1 1 1    4   27   18 o   75.561   16.280   9.0819   8.5712  -4.7612   10.763   33.086   14.172   45.682   20.601  105.441   25.214 -59.75864 32.56049 
1 1 1    4   27   19 o  166.042   10.822   76.534   9.5059   77.634   12.311   74.910   14.960  167.940   13.566  164.143   16.866 3.797409 21.64466 
1 1 1    4   27   20 o  299.345   13.198  246.622   21.349   0.0000   0.0000  246.622   21.349  ?   ?   299.345   13.198      ?      ? 
1 1 1    4   27   21 o  344.315   13.283  326.802   24.713   0.0000   0.0000  326.802   24.713  ?   ?   344.315   13.283      ?      ? 
1 1 1    4   27   22 o  172.198   10.922   83.690   10.002   92.770   13.542   72.793   14.835  183.161   13.682  161.234   17.027 21.92740 21.84343 
1 1 1    4   27   23 o   88.805   17.153   23.755   9.1557   34.977   12.652   11.417   13.266  108.528   22.319   69.082   26.054 39.44642 34.30699 
1 1 1    4   27   24 o   45.297   14.963 -12.4840   9.3851  -4.2185   12.355 -23.7613   14.431   49.387   22.191   41.207   20.077 8.180065 29.92518 
1 1 1    4   27   26 o  145.727   12.936   62.521   9.7159   70.901   12.627   50.360   15.212  159.411   14.659  132.042   21.320 27.36946 25.87292 
1 1 1    4   27   27 o  108.061   15.765   37.312   8.8976   47.410   11.627   23.041   13.822  129.555   16.608   86.568   26.800 42.98650 31.52923 
1 1 1    4   27   28 o   72.033   17.900   13.133   9.1204   4.9504   12.429   22.680   13.425   58.526   24.180   85.541   26.401 -27.01495 35.80082 
1 1 1    4   27   29 o   80.342   17.674   19.112   9.5445   30.428   12.893   5.3941   14.196   99.029   24.281   61.655   25.688 37.37370 35.34718 
1 1 1    4   27   30 o  168.720   11.824   83.196   10.454   99.212   14.265   64.617   15.365  188.017   14.041  149.422   19.029 38.59468 23.64841 
1 1 1    4   27   31 f  231.780   9.7887  151.868   12.167  158.761   16.487  143.626   18.029  238.245   12.807  225.316   14.808 12.92892 19.57747 
1 1 1    4   27   32 o   69.590   17.170   10.870   8.4811   1.8257   10.913   24.662   13.476   51.521   22.042   87.658   26.331 -36.13732 34.33918 
1 1 1    4   27   33 o  135.063   11.731   51.619   8.4765   62.928   12.813   42.819   11.303  148.307   15.989  121.819   17.171 26.48835 23.46254 
1 1 1    4   27   34 o  142.300   10.279   57.631   7.8595   50.278   10.981   65.354   11.254  132.588   15.327  152.012   13.701 -19.42361 20.55774 
1 1 1    4   27   35 o   86.445   15.417   23.500   7.2309   20.473   10.105   26.677   10.352   80.404   22.416   92.486   21.171 -12.08186 30.83302 
1 1 1    4   27   36 o  111.410   13.180   37.866   7.5393   47.330   10.605   28.193   10.721  128.164   15.312   94.655   21.456 33.50883 26.35923 
1 1 1    4   27   37 o   46.560   14.240  -0.6979   6.9000   5.8460   9.7738  -7.1996   9.7423   53.764   21.732   39.356   18.407 14.40774 28.47945 
1 1 1    4   27   38 o   51.582   15.099   3.1238   7.0637   8.8815   10.420  -1.7715   9.6083   59.103   22.888   44.062   19.700 15.04066 30.19871 
1 1 1    4   27   39 o  122.182   11.571   43.792   7.6199   48.126   10.997   39.790   10.568  128.283   15.865  116.081   16.848 12.20223 23.14151 
1 1 1    4   27   40 o   46.639   14.302   0.4676   6.8527   5.0095   9.6164  -4.2182   9.7676   51.698   21.305   41.579   19.087 10.11872 28.60464 
1 1 1    4   27   41 o  187.574   8.6267   99.954   8.7245  109.309   12.775   91.777   11.943  195.871   12.070  179.277   12.329 16.59386 17.25345 
1 1 1    4   27   42 o   77.585   16.520   21.013   7.5310   18.824   10.656   23.199   10.645   73.429   23.637   81.742   23.085 -8.313194 33.04024 
1 1 1    4   27   43 o   67.173   16.434   14.731   7.4842   19.771   10.669   9.8497   10.501   75.627   23.568   58.719   22.911 16.90826 32.86879 
1 1 1    4   27   44 o  158.400   12.921   72.403   11.060   0.0000   0.0000   72.403   11.060  ?   ?   158.400   12.921      ?      ? 
1 1 1    4   27   45 o   90.123   15.455   28.176   7.4475   27.906   10.702   28.430   10.370   89.295   22.258   90.952   21.449 -1.656319 30.91090 
1 1 1    4   27   46 o  136.204   11.029   59.004   7.9354   48.580   11.531   68.381   10.937  122.190   17.464  150.217   13.474 -28.02724 22.05775 
1 1 1    4   27   47 o  103.152   18.636   46.421   11.326   30.428   20.236   53.716   13.667   79.162   31.520  127.143   19.893 -47.98143 37.27191 
1 1 1    4   27   48 f   49.439   16.051   1.3165   10.311 -17.4685   19.478   8.6306   12.154   45.132   22.258   53.746   23.134 -8.613960 32.10274 
1 1 1    4   28    0 o  318.733   7.9478  275.914   13.689   0.0000   0.0000  275.914   13.689  ?   ?   318.733   7.9478      ?      ? 
1 1 1    4   28    1 o   79.469   19.046   18.253   8.0722   0.0000   0.0000   18.253   8.0722  ?   ?    79.469   19.046      ?      ? 
1 1 1    4   28    2 o  109.246   13.775   32.757   8.1318   0.0000   0.0000   32.757   8.1318  ?   ?   109.246   13.775      ?      ? 
1 1 1    4   28    3 o  140.825   10.956   54.126   8.3375   0.0000   0.0000   54.126   8.3375  ?   ?   140.825   10.956      ?      ? 
1 1 1    4   28    4 o  159.203   10.336   69.107   8.8919   0.0000   0.0000   69.107   8.8919  ?   ?   159.203   10.336      ?      ? 
1 1 1    4   28    5 o  222.504   8.0507  134.518   9.6797   0.0000   0.0000  134.518   9.6797  ?   ?   222.504   8.0507      ?      ? 
1 1 1    4   28    6 o  145.709   10.656   57.942   8.3898   0.0000   0.0000   57.942   8.3898  ?   ?   145.709   10.656      ?      ? 
1 1 1    4   28    7 f  122.139   11.926   40.826   7.8713   0.0000   0.0000   40.826   7.8713  ?   ?   122.139   11.926      ?      ? 
1 1 1    4   28    8 o   78.845   18.263   17.972   7.6281   0.0000   0.0000   17.972   7.6281  ?   ?    78.845   18.263      ?      ? 
1 1 1    4   28    9 o   57.193   19.658   8.4744   7.3444   0.0000   0.0000   8.4744   7.3444  ?   ?    57.193   19.658      ?      ? 
1 1 1    4   28   10 o  180.314   9.2598   88.563   9.0223   0.0000   0.0000   88.563   9.0223  ?   ?   180.314   9.2598      ?      ? 
1 1 1    4   28   11 o   86.460   18.637   21.621   8.4508   0.0000   0.0000   21.621   8.4508  ?   ?    86.460   18.637      ?      ? 
1 1 1    4   28   12 o  173.174   14.741   82.768   13.795   0.0000   0.0000   82.768   13.795  ?   ?   173.174   14.741      ?      ? 
1 1 1    4   28   13 o   88.893   22.844   23.303   11.032   0.0000   0.0000   23.303   11.032  ?   ?    88.893   22.844      ?      ? 
1 1 1    4   28   14 f  200.807   11.120  110.352   12.066   0.0000   0.0000  110.352   12.066  ?   ?   200.807   11.120      ?      ? 
1 1 1    4   28   15 o   44.686   14.515  -7.4069   8.0293  -5.3986   11.107  -9.6057   11.621   45.816   20.770   43.556   20.281 2.260597 29.02997 
1 1 1    4   28   16 o  169.631   9.8752   79.571   9.0363   74.324   12.782   84.812   12.776  163.909   14.432  175.352   13.483 -11.44325 19.75033 
1 1 1    4   28   17 o  117.843   13.909   38.979   8.5493   49.414   13.107   31.251   11.279  132.530   18.302  103.156   20.950 29.37430 27.81801 
1 1 1    4   28   18 o  327.653   12.235  295.721   21.662  295.721   21.662   0.0000   0.0000  327.653   12.235  ?   ?       ?      ? 
1 1 1    4   28   19 o  216.213   13.620  129.482   15.913  129.482   15.913   0.0000   0.0000  216.213   13.620  ?   ?       ?      ? 
1 1 1    4   28   20 o  163.203   10.139   74.211   8.9008   66.104   12.565   82.377   12.610  153.985   15.101  172.421   13.534 -18.43597 20.27855 
1 1 1    4   28   21 o  166.799   10.217   77.083   9.1873   84.347   13.502   70.822   12.537  174.115   14.351  159.482   14.547 14.63297 20.43489 
1 1 1    4   28   22 o  305.155   12.644  257.658   20.849  257.658   20.849   0.0000   0.0000  305.155   12.644  ?   ?       ?      ? 
1 1 1    4   28   23 o   92.827   15.440   24.207   8.4983   42.838   12.782   9.4442   11.378  122.291   19.342   63.363   24.073 58.92810 30.88047 
1 1 1    4   28   24 o  149.268   10.681   64.057   8.3676   77.888   11.558   48.822   12.130  167.422   12.775  131.115   17.121 36.30685 21.36229 
1 1 1    4   28   25 o   93.406   15.155   26.223   7.4844   22.976   10.158   30.078   11.070   86.919   21.696   99.893   21.165 -12.97358 30.30962 
1 1 1    4   28   26 o   73.739   16.201   15.757   7.3447   10.323   9.9975   22.129   10.826   62.646   22.798   84.833   23.026 -22.18752 32.40299 
1 1 1    4   28   27 o  106.785   20.041   34.128   11.139   0.0000   0.0000   34.128   11.139  ?   ?   106.785   20.041      ?      ? 
1 1 1    4   28   28 o  187.087   12.622   97.841   12.761   0.0000   0.0000   97.841   12.761  ?   ?   187.087   12.622      ?      ? 
1 1 1    4   28   29 o   43.836   13.983  -3.9411   7.1281  -0.1916   9.8528  -8.0587   10.325   47.035   20.531   40.637   18.987 6.398594 27.96507 
1 1 1    4   28   30 o   48.633   14.239  -2.5792   7.2797   10.375   9.9331 -17.6099   10.700   62.030   22.701   35.237   17.195 26.79232 28.47816 
1 1 1    4   28   31 o   81.838   15.719   20.556   7.4106   13.182   10.125   29.062   10.875   66.800   23.075   96.877   21.350 -30.07674 31.43707 
1 1 1    4   28   32 o   83.332   16.363   22.193   7.6400   23.326   10.491   20.912   11.148   85.849   22.384   80.816   23.874 5.032906 32.72646 
1 1 1    4   28   33 o  103.514   13.978   32.815   7.5622   21.013   10.413   45.988   11.001   81.059   22.810  125.970   16.161 -44.91072 27.95519 
1 1 1    4   28   34 o   68.941   16.595   14.610   7.5839   18.670   10.555   10.276   10.904   76.128   23.395   61.755   23.541 14.37284 33.18918 
1 1 1    4   28   35 o  105.783   13.820   34.280   7.6366   26.186   10.648   42.852   10.958   90.584   21.978  120.981   16.762 -30.39698 27.64047 
1 1 1    4   28   36 o  110.271   13.055   37.095   7.4642   43.653   10.426   30.198   10.691  122.529   15.747   98.013   20.828 24.51614 26.11040 
1 1 1    4   28   37 f   52.522   15.303   2.8051   7.6454   11.492   10.635  -6.4849   10.998   62.633   23.387   42.410   19.742 20.22305 30.60507 
1 1 1    4   28   38 o  189.669   8.6077  102.384   8.8073   96.107   12.477  108.618   12.434  183.549   12.580  195.790   11.753 -12.24086 17.21536 
1 1 1    4   28   39 o   54.899   15.243   5.4287   7.2532  -3.3117   10.076   14.829   10.449   42.654   19.508   67.144   23.427 -24.48995 30.48631 
1 1 1    4   28   40 o  186.028   8.8336  100.066   8.8789   98.389   12.544  101.749   12.569  184.369   12.591  187.686   12.394 -3.316452 17.66726 
1 1 1    4   28   41 o   63.464   16.798   12.699   7.7789   13.469   10.754   11.853   11.266   64.614   23.625   62.313   23.887 2.301075 33.59636 
1 1 1    4   28   42 o   56.582   16.085   7.5063   7.6934   3.0291   10.688   12.321   11.083   50.158   21.641   63.006   23.802 -12.84770 32.16919 
1 1 1    4   28   43 o   50.488   15.287   4.7616   7.5042   7.6040   10.607   1.9132   10.618   53.775   22.288   47.201   20.930 6.574043 30.57458 
1 1 1    4   28   44 o   38.628   13.647 -24.3819   10.759 -24.1892   18.401 -24.4820   13.262   42.375   21.029   34.882   17.399 7.492531 27.29402 
1 1 1    4   28   45 o   56.778   17.952   6.7636   10.919   4.0428   19.486   8.0090   13.184   57.570   26.618   55.985   24.095 1.585297 35.90416 
1 1 1    4   28   46 o   48.404   16.424  -7.0819   10.952   10.538   19.715 -14.9459   13.171   58.609   26.983   38.199   18.732 20.41077 32.84724 
1 1 1    4   29    0 o  178.891   9.1742   87.212   8.8683   0.0000   0.0000   87.212   8.8683  ?   ?   178.891   9.1742      ?      ? 
1 1 1    4   29    1 o  131.298   11.666   47.230   8.2766   0.0000   0.0000   47.230   8.2766  ?   ?   131.298   11.666      ?      ? 
1 1 1    4   29    2 o  138.929   11.394   52.849   8.5540   0.0000   0.0000   52.849   8.5540  ?   ?   138.929   11.394      ?      ? 
1 1 1    4   29    3 o  160.824   9.9699   70.604   8.6642   0.0000   0.0000   70.604   8.6642  ?   ?   160.824   9.9699      ?      ? 
1 1 1    4   29    4 o  128.141   11.678   45.001   8.0860   0.0000   0.0000   45.001   8.0860  ?   ?   128.141   11.678      ?      ? 
1 1 1    4   29    5 o   70.800   19.521   14.539   7.7094   0.0000   0.0000   14.539   7.7094  ?   ?    70.800   19.521      ?      ? 
1 1 1    4   29    6 o  186.420   9.1161   94.742   9.1831   0.0000   0.0000   94.742   9.1831  ?   ?   186.420   9.1161      ?      ? 
1 1 1    4   29    7 o  237.393   7.9783  153.339   10.234   0.0000   0.0000  153.339   10.234  ?   ?   237.393   7.9783      ?      ? 
1 1 1    4   29    8 o  227.500   8.0058  140.859   9.8418   0.0000   0.0000  140.859   9.8418  ?   ?   227.500   8.0058      ?      ? 
1 1 1    4   29    9 o  156.676   10.097   67.123   8.5484   0.0000   0.0000   67.123   8.5484  ?   ?   156.676   10.097      ?      ? 
1 1 1    4   29   10 o   67.178   20.397   12.974   8.0545   0.0000   0.0000   12.974   8.0545  ?   ?    67.178   20.397      ?      ? 
1 1 1    4   29   12 o   53.507   19.942   6.5336   7.7267   0.0000   0.0000   6.5336   7.7267  ?   ?    53.507   19.942      ?      ? 
1 1 1    4   29   13 o  135.783   10.947   50.622   8.0322   0.0000   0.0000   50.622   8.0322  ?   ?   135.783   10.947      ?      ? 
1 1 1    4   29   14 o  119.966   12.272   39.694   7.9554   0.0000   0.0000   39.694   7.9554  ?   ?   119.966   12.272      ?      ? 
1 1 1    4   29   15 o  196.157   8.4373  105.007   8.9433   0.0000   0.0000  105.007   8.9433  ?   ?   196.157   8.4373      ?      ? 
1 1 1    4   29   16 o   41.192   13.227  -3.9823   6.2224  -7.9595   10.652  -1.9219   7.6665   42.152   19.556   40.232   17.815 1.919708 26.45400 
1 1 1    4   29   17 f   90.123   14.411   24.178   6.6026   22.187   11.700   25.108   7.9977   85.570   24.215   94.677   15.633 -9.106972 28.82246 
1 1 1    4   29   18 o  102.704   12.417   28.502   6.4963   36.441   11.351   24.634   7.9220  113.103   18.573   92.305   16.487 20.79777 24.83494 
1 1 1    4   29   19 o   41.050   13.497  -7.7208   7.1969  -7.5234   9.6823  -7.9645   10.758   39.886   18.552   42.215   19.609 -2.328899 26.99449 
1 1 1    4   29   20 o   54.732   15.987   4.0339   7.6850   4.4863   10.746   3.5603   10.994   55.104   22.594   54.360   22.624 0.7439308 31.97347 
1 1 1    4   29   21 o   61.711   16.245   8.0394   7.6210   1.5230   10.393   15.617   11.208   50.604   21.576   72.818   24.291 -22.21393 32.49003 
1 1 1    4   29   22 o   81.664   16.412   20.466   7.5567   20.588   10.119   20.313   11.362   82.073   22.256   81.256   24.126 0.8164978 32.82343 
1 1 1    4   29   23 o   93.799   14.955   27.374   7.6913   35.838   10.452   17.378   11.359  111.896   17.286   75.703   24.408 36.19353 29.90958 
1 1 1    4   29   24 o  155.250   10.092   67.498   8.3940   56.288   11.423   80.656   12.376  140.993   14.994  169.507   13.511 -28.51370 20.18323 
1 1 1    4   29   25 o  124.920   12.370   45.585   7.9731   35.032   11.050   57.049   11.516  108.041   19.650  141.799   15.029 -33.75805 24.73903 
1 1 1    4   29   26 o   91.521   14.821   24.628   7.5530   14.764   10.092   37.191   11.389   70.061   23.035  112.980   18.655 -42.91881 29.64102 
1 1 1    4   29   27 o   44.927   14.181  -2.4368   7.1008   1.0553   9.1980  -7.5878   11.171   46.971   20.169   42.883   19.940 4.087856 28.36180 
1 1 1    4   29   28 f  102.678   14.790   32.412   7.9251   30.600   11.019   34.353   11.406   99.502   21.146  105.853   20.683 -6.351196 29.57940 
1 1 1    4   29   29 o  158.159   9.7490   70.412   8.2049   55.200   11.116   88.620   12.161  138.956   14.804  177.362   12.689 -38.40533 19.49799 
1 1 1    4   29   30 o   84.136   16.352   22.822   7.6618   23.781   10.339   21.655   11.410   86.546   22.047   81.725   24.156 4.820457 32.70458 
1 1 1    4   29   31 o   63.075   16.704   10.874   7.7572   14.135   11.200   7.8681   10.754   68.105   24.212   58.044   23.020 10.06068 33.40847 
1 1 1    4   29   32 o   55.511   15.722   5.5858   7.3901   0.4058   10.121   11.501   10.816   47.484   20.766   63.538   23.612 -16.05431 31.44415 
1 1 1    4   29   33 o  180.072   9.3744   92.256   9.1205   90.144   12.815   94.425   12.983  177.935   13.328  182.208   13.187 -4.273621 18.74887 
1 1 1    4   29   34 o  220.543   11.338  137.089   13.512   0.0000   0.0000  137.089   13.512  ?   ?   220.543   11.338      ?      ? 
1 1 1    4   29   35 o   47.162   14.760  -2.3737   7.7797   5.7695   11.165 -10.0596   10.847   54.938   22.826   39.385   18.721 15.55287 29.52083 
1 1 1    4   29   36 o   54.544   14.502  -2.8674   7.7593 -23.2313   10.626   20.393   11.357   31.674   15.762   77.415   24.347 -45.74104 29.00357 
1 1 1    4   29   37 o  155.007   10.340   70.807   8.6467   65.962   11.877   76.271   12.612  149.290   14.723  160.724   14.522 -11.43361 20.67992 
1 1 1    4   29   38 o  105.136   14.540   35.737   8.0652   28.304   11.170   43.833   11.657   91.084   22.759  119.188   18.100 -28.10374 29.07919 
1 1 1    4   29   39 o  126.520   12.428   48.788   8.4664   44.708   11.997   52.838   11.950  120.543   18.417  132.497   16.691 -11.95313 24.85531 
1 1 1    4   29   40 o   84.603   16.414   24.857   7.8523   20.115   11.113   29.585   11.097   75.665   24.116   93.540   22.274 -17.87502 32.82856 
1 1 1    4   29   41 f   54.557   17.255   2.5767   11.693 -19.3446   19.077   15.770   14.800   45.149   22.220   63.966   26.404 -18.81672 34.50916 
1 1 1    4   29   42 o   68.803   20.320   18.871   12.309   27.748   19.891   13.363   15.670   75.521   30.826   62.085   26.483 13.43622 40.63931 
1 1 1    4   29   43 o   54.875   17.744   2.7317   12.271 -10.1824   20.004   10.523   15.538   50.235   24.278   59.515   25.884 -9.279888 35.48827 
1 1 1    4   29   44 o   47.242   15.344   1.2719   8.6115  -0.4050   10.814   4.1779   14.236   43.510   20.014   50.974   23.265 -7.464413 30.68901 
1 1 1    4   30    0 o   73.683   19.195   15.971   7.7193   0.0000   0.0000   15.971   7.7193  ?   ?    73.683   19.195      ?      ? 
1 1 1    4   30    1 o  149.481   10.457   61.282   8.4470   0.0000   0.0000   61.282   8.4470  ?   ?   149.481   10.457      ?      ? 
1 1 1    4   30    2 o  160.493   10.112   70.578   8.7692   0.0000   0.0000   70.578   8.7692  ?   ?   160.493   10.112      ?      ? 
1 1 1    4   30    3 o  147.273   10.573   59.511   8.4141   0.0000   0.0000   59.511   8.4141  ?   ?   147.273   10.573      ?      ? 
1 1 1    4   30    4 f   97.353   15.413   26.456   8.1083   0.0000   0.0000   26.456   8.1083  ?   ?    97.353   15.413      ?      ? 
1 1 1    4   30    5 o  198.508   10.852  108.231   11.641   0.0000   0.0000  108.231   11.641  ?   ?   198.508   10.852      ?      ? 
1 1 1    4   30    6 o  161.696   10.575   71.764   9.2403   0.0000   0.0000   71.764   9.2403  ?   ?   161.696   10.575      ?      ? 
1 1 1    4   30    7 o  303.104   8.8462  251.017   14.489   0.0000   0.0000  251.017   14.489  ?   ?   303.104   8.8462      ?      ? 
1 1 1    4   30    8 o  218.940   8.2846  130.807   9.8013   0.0000   0.0000  130.807   9.8013  ?   ?   218.940   8.2846      ?      ? 
1 1 1    4   30    9 o   45.098   18.813   1.7636   7.6277   0.0000   0.0000   1.7636   7.6277  ?   ?    45.098   18.813      ?      ? 
1 1 1    4   30   10 o  181.720   13.670   91.748   13.423   0.0000   0.0000   91.748   13.423  ?   ?   181.720   13.670      ?      ? 
1 1 1    4   30   11 o  134.446   15.596   50.692   11.330   0.0000   0.0000   50.692   11.330  ?   ?   134.446   15.596      ?      ? 
1 1 1    4   30   12 o  170.475   9.5210   79.674   8.7706   0.0000   0.0000   79.674   8.7706  ?   ?   170.475   9.5210      ?      ? 
1 1 1    4   30   13 o   56.779   19.716   8.6247   7.3961   0.0000   0.0000   8.6247   7.3961  ?   ?    56.779   19.716      ?      ? 
1 1 1    4   30   14 f  142.392   10.616   55.874   8.1681   0.0000   0.0000   55.874   8.1681  ?   ?   142.392   10.616      ?      ? 
1 1 1    4   30   15 o  149.351   10.564   61.496   8.5252   0.0000   0.0000   61.496   8.5252  ?   ?   149.351   10.564      ?      ? 
1 1 1    4   30   16 o   64.855   19.387   12.393   7.3188   0.0000   0.0000   12.393   7.3188  ?   ?    64.855   19.387      ?      ? 
1 1 1    4   30   17 o  109.434   12.102   31.928   6.7209   40.901   12.274   28.085   8.0320  118.991   19.089   99.878   14.882 19.11295 24.20488 
1 1 1    4   30   18 o  162.006   8.6029   67.922   7.1049   88.739   12.891   58.839   8.5149  178.107   13.394  145.904   10.800 32.20360 17.20583 
1 1 1    4   30   19 o  142.846   9.5165   54.815   6.9795   65.023   12.299   49.966   8.4766  151.604   15.013  134.087   11.699 17.51730 19.03295 
1 1 1    4   30   20 f   83.737   15.844   22.267   7.5339   27.601   10.086   15.533   11.332   95.428   20.189   72.045   24.424 23.38342 31.68772 
1 1 1    4   30   21 o  127.037   12.853   48.980   8.1739   61.268   11.172   34.827   11.991  147.392   14.027  106.681   21.542 40.71053 25.70652 
1 1 1    4   30   22 o   57.151   15.659   4.3933   7.6223  -5.0135   10.487   14.927   11.098   43.563   19.916   70.740   24.169 -27.17786 31.31758 
1 1 1    4   30   23 f  169.732   13.415   81.136   12.304   81.136   12.304   0.0000   0.0000  169.732   13.415  ?   ?       ?      ? 
1 1 1    4   30   24 o  199.599   12.326  111.717   13.295   0.0000   0.0000  111.717   13.295  ?   ?   199.599   12.326      ?      ? 
1 1 1    4   30   25 o   90.037   15.941   25.631   7.6973   25.435   10.253   25.884   11.652   90.231   21.360   89.844   23.669 0.3865891 31.88252 
1 1 1    4   30   26 o  121.775   12.365   43.593   8.0934   46.348   11.170   40.548   11.744  126.436   16.349  117.115   18.557 9.320427 24.73096 
1 1 1    4   30   27 o   88.251   15.958   25.292   7.7287   29.284   10.513   20.597   11.401   96.900   20.707   79.602   24.288 17.29714 31.91681 
1 1 1    4   30   28 o   50.616   15.510   1.4851   7.8683   3.4484   10.932  -0.6252   11.334   52.479   22.243   48.754   21.621 3.724823 31.01973 
1 1 1    4   30   29 o  120.957   18.540   43.566   12.118   0.0000   0.0000   43.566   12.118  ?   ?   120.957   18.540      ?      ? 
1 1 1    4   30   30 o  115.917   12.938   39.903   8.0898   37.851   11.052   42.272   11.873  112.814   18.130  119.020   18.462 -6.206017 25.87515 
1 1 1    4   30   31 o   74.898   17.097   18.469   7.9834   22.058   11.309   14.903   11.271   81.227   24.059   68.569   24.298 12.65746 34.19389 
1 1 1    4   30   32 o   81.243   15.018   21.443   7.9817   36.773   10.999   4.3913   11.600  108.598   19.459   53.889   22.881 54.70865 30.03625 
1 1 1    4   30   33 o   63.361   15.720   8.8173   7.8507  -3.8570   10.734   23.396   11.512   43.822   20.077   82.899   24.196 -39.07661 31.44061 
1 1 1    4   30   34 o   45.767   14.224  -6.8502   7.5377 -19.9026   9.9939   10.371   11.480   31.436   15.583   60.098   23.800 -28.66164 28.44753 
1 1 1    4   30   35 o   95.127   15.701   30.591   7.9253   31.596   11.235   29.597   11.181   96.957   21.954   93.297   22.451 3.659325 31.40113 
1 1 1    4   30   36 o   77.503   17.172   20.913   7.9923   21.549   11.558   20.331   11.064   78.430   24.545   76.576   24.022 1.853836 34.34364 
1 1 1    4   30   37 o   97.524   18.779   36.809   10.058   27.883   19.776   39.924   11.682   83.404   31.725  111.643   20.103 -28.23872 37.55842 
1 1 1    4   30   38 o   96.501   21.418   38.189   12.210   49.932   19.826   31.014   15.498  106.333   31.937   86.669   28.548 19.66419 42.83623 
1 1 1    4   30   39 o   78.236   20.859   29.844   11.933   31.486   18.819   28.739   15.433   77.882   30.590   78.589   28.367 -0.7072372 41.71831 
1 1 1    4   30   40 f   55.901   17.630   4.2580   11.552 -10.3694   18.576   13.482   14.751   49.074   23.636   62.728   26.164 -13.65341 35.25940 
1 1 1    4   30   41 o   74.271   14.654   16.531   8.2534  -4.3650   11.217   41.202   12.188   41.614   19.554  106.927   21.832 -65.31227 29.30869 
1 1 1    4   31    0 o   85.577   17.053   21.442   7.6092   0.0000   0.0000   21.442   7.6092  ?   ?    85.577   17.053      ?      ? 
1 1 1    4   31    1 o  107.795   13.652   32.435   7.9523   0.0000   0.0000   32.435   7.9523  ?   ?   107.795   13.652      ?      ? 
1 1 1    4   31    2 o   44.976   18.826   1.7706   7.6755   0.0000   0.0000   1.7706   7.6755  ?   ?    44.976   18.826      ?      ? 
1 1 1    4   31    3 o  115.750   12.961   37.293   8.1065   0.0000   0.0000   37.293   8.1065  ?   ?   115.750   12.961      ?      ? 
1 1 1    4   31    4 o  190.825   9.0787   99.855   9.3616   0.0000   0.0000   99.855   9.3616  ?   ?   190.825   9.0787      ?      ? 
1 1 1    4   31    5 o  110.581   13.840   34.196   8.2698   0.0000   0.0000   34.196   8.2698  ?   ?   110.581   13.840      ?      ? 
1 1 1    4   31    6 o  191.574   9.6263  100.854   9.9651   0.0000   0.0000  100.854   9.9651  ?   ?   191.574   9.6263      ?      ? 
1 1 1    4   31    7 o  132.446   11.615   48.582   8.3125   0.0000   0.0000   48.582   8.3125  ?   ?   132.446   11.615      ?      ? 
1 1 1    4   31    8 o  160.696   10.175   71.120   8.8357   0.0000   0.0000   71.120   8.8357  ?   ?   160.696   10.175      ?      ? 
1 1 1    4   31    9 o   73.493   24.364   16.028   11.281   0.0000   0.0000   16.028   11.281  ?   ?    73.493   24.364      ?      ? 
1 1 1    4   31   10 o   50.955   21.582   2.0717   10.281   0.0000   0.0000   2.0717   10.281  ?   ?    50.955   21.582      ?      ? 
1 1 1    4   31   11 o  164.941   9.9465   74.940   8.8652   0.0000   0.0000   74.940   8.8652  ?   ?   164.941   9.9465      ?      ? 
1 1 1    4   31   12 o  121.922   12.703   41.487   8.3688   0.0000   0.0000   41.487   8.3688  ?   ?   121.922   12.703      ?      ? 
1 1 1    4   31   13 o  178.411   9.3835   87.608   9.0463   0.0000   0.0000   87.608   9.0463  ?   ?   178.411   9.3835      ?      ? 
1 1 1    4   31   14 o  173.053   9.8491   82.629   9.2101   0.0000   0.0000   82.629   9.2101  ?   ?   173.053   9.8491      ?      ? 
1 1 1    4   31   15 o   40.231   17.767  -1.3060   7.5757   0.0000   0.0000  -1.3060   7.5757  ?   ?    40.231   17.767      ?      ? 
1 1 1    4   31   16 o  151.406   10.352   63.421   8.4697   0.0000   0.0000   63.421   8.4697  ?   ?   151.406   10.352      ?      ? 
1 1 1    4   31   17 o   91.870   16.752   24.872   8.0101   0.0000   0.0000   24.872   8.0101  ?   ?    91.870   16.752      ?      ? 
1 1 1    4   31   18 o  217.541   8.0953  128.648   8.4130  138.739   16.524  125.117   9.7747  221.688   13.794  213.393   8.4769 8.294693 16.19066 
1 1 1    4   31   19 o  153.609   9.2718   66.281   7.1995   66.937   12.631   65.965   8.7624  153.056   15.272  154.163   10.519 -1.106247 18.54355 
1 1 1    4   31   20 o   57.135   14.851   8.5388   6.3372   1.3493   10.838   12.273   7.8116   50.404   21.770   63.867   20.205 -13.46328 29.70114 
1 1 1    4   31   21 o   80.854   16.159   20.261   7.4651   15.195   9.9878   26.674   11.237   70.120   22.909   91.587   22.795 -21.46764 32.31780 
1 1 1    4   31   22 o   74.380   16.965   17.361   7.7115   15.700   10.241   19.535   11.719   70.920   23.199   77.840   24.761 -6.920113 33.93071 
1 1 1    4   31   23 o  240.761   11.360  162.460   14.779   0.0000   0.0000  162.460   14.779  ?   ?   240.761   11.360      ?      ? 
1 1 1    4   31   24 o   75.832   16.284   18.611   7.7613   25.424   10.476   10.321   11.556   89.273   21.885   62.391   24.120 26.88220 32.56852 
1 1 1    4   31   25 o   70.272   15.419   13.058   7.9784   28.003   11.157  -2.5838   11.414   93.501   22.380   47.043   21.215 46.45769 30.83762 
1 1 1    4   31   26 o   74.680   17.190   17.892   7.9955   15.275   11.076   20.740   11.554   69.863   24.134   79.496   24.485 -9.633644 34.37959 
1 1 1    4   31   27 o   55.250   15.762   6.3314   7.4352   9.8434   9.9454   1.8813   11.195   59.712   22.550   50.788   22.030 8.924236 31.52469 
1 1 1    4   31   28 o   72.245   16.978   17.199   7.7447   17.955   10.373   16.247   11.642   73.823   23.275   70.666   24.725 3.156815 33.95628 
1 1 1    4   31   29 o   67.581   17.056   13.447   8.0994   7.5131   10.853   20.905   12.168   56.806   22.922   78.356   25.263 -21.54957 34.11180 
1 1 1    4   31   30 o  165.416   9.9323   79.666   8.8045   81.147   11.812   77.815   13.208  167.969   13.013  162.863   15.008 5.105911 19.86453 
1 1 1    4   31   31 o   73.616   17.167   19.180   8.2043   23.594   11.040   13.737   12.261   82.155   23.613   65.078   24.926 17.07714 34.33484 
1 1 1    4   31   32 o  144.363   11.014   61.809   8.5465   57.482   11.395   67.373   12.922  138.992   15.172  149.733   15.971 -10.74055 22.02814 
1 1 1    4   31   33 o  102.521   15.678   34.949   9.0832   55.767   13.345   16.979   12.399  134.586   18.349   70.456   25.427 64.13022 31.35643 
1 1 1    4   31   34 o   90.412   20.201   31.986   13.235   8.3378   20.569   48.694   17.289   65.560   29.098  115.264   28.029 -49.70396 40.40207 
1 1 1    4   31   35 o   85.158   18.103   26.770   12.497  -8.3626   19.526   51.149   16.265   52.430   24.977  117.887   26.211 -65.45717 36.20608 
1 1 1    4   31   36 o   69.998   18.924   6.1182   11.784   51.554   20.103 -17.6689   14.545  100.499   32.479   39.498   19.432 61.00082 37.84783 
1 1 1    4   31   37 o   66.286   18.484   15.383   9.3135   11.112   11.428   23.829   16.072   58.427   23.540   74.145   28.505 -15.71886 36.96847 
1 1 1    4   31   38 o   78.393   16.982   23.789   7.9515   25.992   10.774   21.152   11.784   83.566   23.092   73.220   24.906 10.34624 33.96362 
1 1 1    4   31   39 o   78.902   16.584   24.651   7.8405   17.900   10.720   32.415   11.497   66.391   23.678   91.413   23.227 -25.02235 33.16883 
1 1 1    4   32    0 o   39.361   18.342  -7.2487   9.5332   0.0000   0.0000  -7.2487   9.5332  ?   ?    39.361   18.342      ?      ? 
1 1 1    4   32    1 o  136.189   10.867   51.415   7.9970   0.0000   0.0000   51.415   7.9970  ?   ?   136.189   10.867      ?      ? 
1 1 1    4   32    2 o  125.245   12.089   43.748   8.1814   0.0000   0.0000   43.748   8.1814  ?   ?   125.245   12.089      ?      ? 
1 1 1    4   32    3 o  293.179   8.9976  236.394   14.254   0.0000   0.0000  236.394   14.254  ?   ?   293.179   8.9976      ?      ? 
1 1 1    4   32    4 o   72.271   19.317   15.814   7.6888   0.0000   0.0000   15.814   7.6888  ?   ?    72.271   19.317      ?      ? 
1 1 1    4   32    5 o   99.460   14.504   27.979   7.7951   0.0000   0.0000   27.979   7.7951  ?   ?    99.460   14.504      ?      ? 
1 1 1    4   32    6 f   49.080   19.434   4.6259   7.6533   0.0000   0.0000   4.6259   7.6533  ?   ?    49.080   19.434      ?      ? 
1 1 1    4   32    7 o  195.699   8.8986  105.308   9.4101   0.0000   0.0000  105.308   9.4101  ?   ?   195.699   8.8986      ?      ? 
1 1 1    4   32    8 o   66.906   24.340   12.497   11.394   0.0000   0.0000   12.497   11.394  ?   ?    66.906   24.340      ?      ? 
1 1 1    4   32    9 o  202.342   11.299  113.838   12.354   0.0000   0.0000  113.838   12.354  ?   ?   202.342   11.299      ?      ? 
1 1 1    4   32   10 o  105.703   14.382   31.636   8.2148   0.0000   0.0000   31.636   8.2148  ?   ?   105.703   14.382      ?      ? 
1 1 1    4   32   11 o  166.763   9.4529   76.735   8.5183   0.0000   0.0000   76.735   8.5183  ?   ?   166.763   9.4529      ?      ? 
1 1 1    4   32   12 o   38.509   17.394  -2.9532   7.7069   0.0000   0.0000  -2.9532   7.7069  ?   ?    38.509   17.394      ?      ? 
1 1 1    4   32   13 o   45.551   18.875   2.6527   7.6053   0.0000   0.0000   2.6527   7.6053  ?   ?    45.551   18.875      ?      ? 
1 1 1    4   32   14 o   59.475   19.529   10.382   7.2543   0.0000   0.0000   10.382   7.2543  ?   ?    59.475   19.529      ?      ? 
1 1 1    4   32   15 o   55.102   19.759   8.2533   7.4744   0.0000   0.0000   8.2533   7.4744  ?   ?    55.102   19.759      ?      ? 
1 1 1    4   32   16 o   46.652   18.919   3.6921   7.4332   0.0000   0.0000   3.6921   7.4332  ?   ?    46.652   18.919      ?      ? 
1 1 1    4   32   17 o   78.359   18.377   18.783   7.6466   0.0000   0.0000   18.783   7.6466  ?   ?    78.359   18.377      ?      ? 
1 1 1    4   32   18 o   80.754   18.596   20.032   7.9471   0.0000   0.0000   20.032   7.9471  ?   ?    80.754   18.596      ?      ? 
1 1 1    4   32   19 o  109.780   11.618   33.894   6.4877   39.144   11.567   31.484   7.8366  114.554   18.686  105.005   13.811 9.548798 23.23558 
1 1 1    4   32   20 o   50.136   14.752   3.2840   6.2976   6.6329   10.836   1.5760   7.7386   56.380   22.850   43.892   18.664 12.48864 29.50344 
1 1 1    4   32   21 o  120.845   10.907   39.090   6.7757   53.288   12.083   32.578   8.1835  135.036   16.559  106.653   14.200 28.38276 21.81332 
1 1 1    4   32   22 o  144.247   11.868   60.001   9.1674   70.856   14.105   52.063   12.063  155.325   16.805  133.170   16.763 22.15569 23.73634 
1 1 1    4   32   23 o   59.534   16.558   9.0875   7.8135   8.5764   11.136   9.5831   10.966   58.902   23.404   60.166   23.430 -1.263554 33.11687 
1 1 1    4   32   24 o   65.685   16.099   11.935   7.8345   22.136   11.032   1.5551   11.128   81.346   23.669   50.023   21.828 31.32250 32.19793 
1 1 1    4   32   25 o   88.228   16.162   25.738   7.7452   25.647   10.456   25.847   11.529   88.662   21.943   87.794   23.734 0.8675613 32.32351 
1 1 1    4   32   26 o  104.521   14.547   34.695   7.9083   31.749   10.757   38.160   11.667   99.517   20.678  109.525   20.465 -10.00822 29.09317 
1 1 1    4   32   27 o   59.632   16.536   10.241   7.7647   10.104   10.832   10.386   11.137   59.315   23.234   59.949   23.536 -0.6335258 33.07229 
1 1 1    4   32   28 o   63.272   16.732   12.540   7.6991   9.5298   10.252   16.434   11.659   57.655   22.599   68.889   24.680 -11.23472 33.46354 
1 1 1    4   32   29 o   45.751   15.675 -12.6051   10.700 -36.9595   23.893  -6.4952   11.968   47.929   23.816   43.573   20.386 4.356121 31.34924 
1 1 1    4   32   30 o  105.533   20.969   38.245   13.745   73.919   22.328   16.477   17.441  140.047   30.378   71.018   28.912 69.02893 41.93767 
1 1 1    4   32   31 o   76.470   20.474   16.566   12.812   39.414   19.664  -0.2892   16.889   97.394   32.160   55.545   25.347 41.84947 40.94808 
1 1 1    4   32   32 o   68.780   19.572   16.081   12.537  -1.2932   19.176   29.054   16.569   55.163   25.807   82.396   29.432 -27.23289 39.14418 
1 1 1    4   32   33 o   52.942   17.479   1.7868   12.428  -5.1441   20.070   6.0968   15.827   51.311   24.677   54.574   24.762 -3.263252 34.95831 
1 1 1    4   32   34 o   35.506   12.241 -19.1870   7.9383  -3.0448   10.975 -36.8955   11.496   42.914   19.889   28.099   14.277 14.81483 24.48261 
1 1 1    4   32   35 o   41.768   13.585  -7.5420   7.5932 -20.2505   10.529   6.2326   10.961   31.710   15.766   51.825   22.129 -20.11478 27.17057 
1 1 1    4   32   36 o   52.631   15.716   7.5241   7.9377   1.7279   11.295   13.181   11.158   46.165   20.935   59.096   23.444 -12.93104 31.43136 
1 1 1    4   33    0 o  126.105   12.133   44.625   8.2677   0.0000   0.0000   44.625   8.2677  ?   ?   126.105   12.133      ?      ? 
1 1 1    4   33    1 o  125.265   12.023   44.005   8.1381   0.0000   0.0000   44.005   8.1381  ?   ?   125.265   12.023      ?      ? 
1 1 1    4   33    2 o   71.602   19.500   15.761   7.7485   0.0000   0.0000   15.761   7.7485  ?   ?    71.602   19.500      ?      ? 
1 1 1    4   33    3 o  102.303   14.536   29.859   8.0354   0.0000   0.0000   29.859   8.0354  ?   ?   102.303   14.536      ?      ? 
1 1 1    4   33    4 o   87.013   16.756   22.574   7.5927   0.0000   0.0000   22.574   7.5927  ?   ?    87.013   16.756      ?      ? 
1 1 1    4   33    5 o  118.476   12.027   39.399   7.6995   0.0000   0.0000   39.399   7.6995  ?   ?   118.476   12.027      ?      ? 
1 1 1    4   33    6 o   38.436   17.123  -1.6673   7.1907   0.0000   0.0000  -1.6673   7.1907  ?   ?    38.436   17.123      ?      ? 
1 1 1    4   33    7 o  102.091   21.257   32.492   11.346   0.0000   0.0000   32.492   11.346  ?   ?   102.091   21.257      ?      ? 
1 1 1    4   33    8 o   79.850   23.706   20.539   10.971   0.0000   0.0000   20.539   10.971  ?   ?    79.850   23.706      ?      ? 
1 1 1    4   33    9 o   57.092   20.229   9.1773   7.8121   0.0000   0.0000   9.1773   7.8121  ?   ?    57.092   20.229      ?      ? 
1 1 1    4   33   10 o   51.205   19.357   6.4640   7.3338   0.0000   0.0000   6.4640   7.3338  ?   ?    51.205   19.357      ?      ? 
1 1 1    4   33   11 o   60.021   20.067   10.721   7.6486   0.0000   0.0000   10.721   7.6486  ?   ?    60.021   20.067      ?      ? 
1 1 1    4   33   12 o  127.786   11.622   45.895   8.0250   0.0000   0.0000   45.895   8.0250  ?   ?   127.786   11.622      ?      ? 
1 1 1    4   33   13 o  150.996   12.931   64.683   10.551   0.0000   0.0000   64.683   10.551  ?   ?   150.996   12.931      ?      ? 
1 1 1    4   33   14 o  122.268   12.830   42.368   8.4768   0.0000   0.0000   42.368   8.4768  ?   ?   122.268   12.830      ?      ? 
1 1 1    4   33   15 o  107.911   13.624   33.202   7.9446   0.0000   0.0000   33.202   7.9446  ?   ?   107.911   13.624      ?      ? 
1 1 1    4   33   16 o  122.692   12.153   42.501   8.0570   0.0000   0.0000   42.501   8.0570  ?   ?   122.692   12.153      ?      ? 
1 1 1    4   33   17 o   84.032   17.627   21.581   7.7484   0.0000   0.0000   21.581   7.7484  ?   ?    84.032   17.627      ?      ? 
1 1 1    4   33   18 o  118.030   12.761   39.718   8.1387   0.0000   0.0000   39.718   8.1387  ?   ?   118.030   12.761      ?      ? 
1 1 1    4   33   19 o   35.586   16.614  -5.7291   7.8809   0.0000   0.0000  -5.7291   7.8809  ?   ?    35.586   16.614      ?      ? 
1 1 1    4   33   20 f   51.234   14.108   5.6390   6.1233  -3.2095   10.326   10.439   7.6048   43.709   19.897   58.758   20.008 -15.04961 28.21675 
1 1 1    4   33   21 o   73.030   16.371   16.905   6.8330   19.885   12.472   15.626   8.1680   76.274   25.624   69.786   20.384 6.487984 32.74287 
1 1 1    4   33   22 f   50.545   14.349   4.6767   6.6703  -8.4550   12.027   10.511   8.0161   42.544   20.070   58.546   20.514 -16.00226 28.69885 
1 1 1    4   33   23 o   61.111   16.960   10.843   8.3045   7.0000   11.678   14.775   11.812   55.748   23.268   66.474   24.681 -10.72541 33.91992 
1 1 1    4   33   24 o  153.869   11.374   71.393   9.4276   65.103   13.251   77.842   13.416  146.318   16.759  161.421   15.381 -15.10229 22.74737 
1 1 1    4   33   25 o   65.640   20.849   6.8935   15.728  -2.3739   23.145   14.845   21.439   60.642   28.365   70.639   30.563 -9.996872 41.69712 
1 1 1    4   33   26 o   64.798   20.051   6.0542   14.517 -14.0000   22.996   19.342   18.719   55.272   26.538   74.325   30.064 -19.05274 40.10117 
1 1 1    4   33   27 o  163.939   18.214   88.610   15.489  107.995   26.585   78.649   19.058  173.079   28.425  154.799   22.783 18.27963 36.42897 
1 1 1    4   33   28 o   64.821   19.932   10.775   13.640  -1.9793   22.143   18.574   17.316   58.560   27.503   71.081   28.858 -12.52100 39.86446 
1 1 1    4   33   29 o   78.306   19.605   25.359   9.8140   21.603   11.830   33.649   17.576   73.254   24.954   83.359   30.244 -10.10528 39.21014 
1 1 1    4   33   30 o  137.144   12.462   61.079   9.2063   55.597   12.845   66.870   13.201  129.917   18.298  144.371   16.922 -14.45395 24.92303 
1 1 1    4   33   31 o   40.781   13.626  -6.5321   7.9105  -5.0704   10.956  -8.1238   11.433   41.423   19.420   40.139   19.119 1.283112 27.25191 
1 1 1    4   33   32 o   91.439   16.081   31.164   8.4337   45.351   12.326   18.675   11.565  114.193   20.739   68.684   24.583 45.50837 32.16257 
1 1 1    4   33   33 o   50.515   15.510   6.1192   7.9271   2.8813   11.050   9.5518   11.378   46.798   21.010   54.232   22.823 -7.434044 31.02094 
1 1 1    4   34    0 f   49.369   19.309   5.3761   7.4724   0.0000   0.0000   5.3761   7.4724  ?   ?    49.369   19.309      ?      ? 
1 1 1    4   34    1 o  116.236   12.700   38.254   7.9770   0.0000   0.0000   38.254   7.9770  ?   ?   116.236   12.700      ?      ? 
1 1 1    4   34    2 o  118.962   16.494   41.333   10.603   0.0000   0.0000   41.333   10.603  ?   ?   118.962   16.494      ?      ? 
1 1 1    4   34    3 o  162.157   10.202   73.250   8.9395   0.0000   0.0000   73.250   8.9395  ?   ?   162.157   10.202      ?      ? 
1 1 1    4   34    4 o   41.859   18.200   0.1867   7.6773   0.0000   0.0000   0.1867   7.6773  ?   ?    41.859   18.200      ?      ? 
1 1 1    4   34    5 o  194.395   9.6530  104.971   10.140   0.0000   0.0000  104.971   10.140  ?   ?   194.395   9.6530      ?      ? 
1 1 1    4   34    6 o   58.584   23.619   7.6931   11.513   0.0000   0.0000   7.6931   11.513  ?   ?    58.584   23.619      ?      ? 
1 1 1    4   34    7 o   57.941   22.917   8.0601   10.631   0.0000   0.0000   8.0601   10.631  ?   ?    57.941   22.917      ?      ? 
1 1 1    4   34    8 f  139.137   11.436   54.486   8.5982   0.0000   0.0000   54.486   8.5982  ?   ?   139.137   11.436      ?      ? 
1 1 1    4   34    9 o  110.040   14.117   34.863   8.3944   0.0000   0.0000   34.863   8.3944  ?   ?   110.040   14.117      ?      ? 
1 1 1    4   34   10 o   52.393   20.051   6.9294   7.9294   0.0000   0.0000   6.9294   7.9294  ?   ?    52.393   20.051      ?      ? 
1 1 1    4   34   11 o  130.639   11.580   48.252   8.1748   0.0000   0.0000   48.252   8.1748  ?   ?   130.639   11.580      ?      ? 
1 1 1    4   34   12 o   85.874   18.119   22.836   8.1437   0.0000   0.0000   22.836   8.1437  ?   ?    85.874   18.119      ?      ? 
1 1 1    4   34   13 o  102.027   14.024   30.068   7.7315   0.0000   0.0000   30.068   7.7315  ?   ?   102.027   14.024      ?      ? 
1 1 1    4   34   14 o   35.669   16.566  -5.0055   7.6721   0.0000   0.0000  -5.0055   7.6721  ?   ?    35.669   16.566      ?      ? 
1 1 1    4   34   15 o   68.253   19.829   14.868   7.7477   0.0000   0.0000   14.868   7.7477  ?   ?    68.253   19.829      ?      ? 
1 1 1    4   34   16 o   34.653   16.206  -5.5129   7.5495   0.0000   0.0000  -5.5129   7.5495  ?   ?    34.653   16.206      ?      ? 
1 1 1    4   34   17 o   52.425   19.632   7.7176   7.5056   0.0000   0.0000   7.7176   7.5056  ?   ?    52.425   19.632      ?      ? 
1 1 1    4   34   18 o   47.810   19.292   5.0563   7.6880   0.0000   0.0000   5.0563   7.6880  ?   ?    47.810   19.292      ?      ? 
1 1 1    4   34   19 o  104.463   15.688   32.688   8.8555   0.0000   0.0000   32.688   8.8555  ?   ?   104.463   15.688      ?      ? 
1 1 1    4   34   20 o  107.709   19.423   36.955   10.889   0.0000   0.0000   36.955   10.889  ?   ?   107.709   19.423      ?      ? 
1 1 1    4   34   21 o   37.630   17.983 -10.2082   10.291   0.0000   0.0000 -10.2082   10.291  ?   ?    37.630   17.983      ?      ? 
1 1 1    4   34   22 o  140.811   15.539   58.842   11.824   0.0000   0.0000   58.842   11.824  ?   ?   140.811   15.539      ?      ? 
1 1 1    4   34   23 o   87.252   22.499   25.949   10.677   0.0000   0.0000   25.949   10.677  ?   ?    87.252   22.499      ?      ? 
1 1 1    4   34   24 o   69.991   29.548   18.865   19.170   0.0000   0.0000   18.865   19.170  ?   ?    69.991   29.548      ?      ? 
1 1 1    4   34   25 f   44.071   14.451  -4.1303   8.6006   4.4625   11.725 -14.1396   12.654   49.942   22.077   38.201   18.654 11.74053 28.90233 
1 1 1    4   34   26 o  118.354   14.321   48.538   8.7682   55.136   12.052   41.118   12.780  131.085   17.014  105.623   23.041 25.46198 28.64189 
1 1 1    4   34   27 f   90.056   17.047   30.428   8.5080   27.438   12.191   33.266   11.879   84.417   24.974   95.695   23.211 -11.27814 34.09443 
1 1 1    4   34   28 o   47.891   15.038   2.6315   7.8127   4.4354   10.669   0.5456   11.472   49.301   21.446   46.481   21.087 2.820404 30.07584 
1 1 1    4   34   29 o   37.282   12.788 -10.9363   8.0255 -10.9309   11.609 -10.9413   11.107   37.726   18.295   36.838   17.872 0.8878326 25.57578 
1 1 1    4   35    0 o  117.552   13.331   39.773   8.4681   0.0000   0.0000   39.773   8.4681  ?   ?   117.552   13.331      ?      ? 
1 1 1    4   35    1 o   47.018   19.464   3.6645   8.0758   0.0000   0.0000   3.6645   8.0758  ?   ?    47.018   19.464      ?      ? 
1 1 1    4   35    2 o   38.063   17.416  -3.4751   8.0430   0.0000   0.0000  -3.4751   8.0430  ?   ?    38.063   17.416      ?      ? 
1 1 1    4   35    3 o  139.124   11.740   55.002   8.8258   0.0000   0.0000   55.002   8.8258  ?   ?   139.124   11.740      ?      ? 
1 1 1    4   35    4 o  167.426   10.414   78.875   9.4215   0.0000   0.0000   78.875   9.4215  ?   ?   167.426   10.414      ?      ? 
1 1 1    4   35    5 o  121.741   18.802   45.600   12.369   0.0000   0.0000   45.600   12.369  ?   ?   121.741   18.802      ?      ? 
1 1 1    4   35    6 o  120.378   16.805   43.633   10.931   0.0000   0.0000   43.633   10.931  ?   ?   120.378   16.805      ?      ? 
1 1 1    4   35    7 o  130.381   12.127   48.765   8.5442   0.0000   0.0000   48.765   8.5442  ?   ?   130.381   12.127      ?      ? 
1 1 1    4   35    8 o   75.612   20.034   18.771   8.3164   0.0000   0.0000   18.771   8.3164  ?   ?    75.612   20.034      ?      ? 
1 1 1    4   35    9 o  116.232   13.578   39.494   8.5282   0.0000   0.0000   39.494   8.5282  ?   ?   116.232   13.578      ?      ? 
1 1 1    4   35   10 o  107.584   14.823   34.364   8.6176   0.0000   0.0000   34.364   8.6176  ?   ?   107.584   14.823      ?      ? 
1 1 1    4   35   11 o   46.991   19.511   4.0307   8.1494   0.0000   0.0000   4.0307   8.1494  ?   ?    46.991   19.511      ?      ? 
1 1 1    4   35   12 o   72.061   20.524   17.183   8.3775   0.0000   0.0000   17.183   8.3775  ?   ?    72.061   20.524      ?      ? 
1 1 1    4   35   13 o   77.707   24.017   21.061   11.106   0.0000   0.0000   21.061   11.106  ?   ?    77.707   24.017      ?      ? 
1 1 1    4   35   14 o   35.524   17.268 -14.3678   10.508   0.0000   0.0000 -14.3678   10.508  ?   ?    35.524   17.268      ?      ? 
1 1 1    4   35   15 o  128.284   15.611   48.887   10.821   0.0000   0.0000   48.887   10.821  ?   ?   128.284   15.611      ?      ? 
1 1 1    4   35   16 o   95.137   21.396   29.783   10.733   0.0000   0.0000   29.783   10.733  ?   ?    95.137   21.396      ?      ? 
1 1 1    4   35   17 o   42.038   19.374  -4.0372   10.202   0.0000   0.0000  -4.0372   10.202  ?   ?    42.038   19.374      ?      ? 
1 1 1    4   35   18 o   67.467   23.436   15.805   10.451   0.0000   0.0000   15.805   10.451  ?   ?    67.467   23.436      ?      ? 
1 1 1    4   35   19 o   51.706   20.769   7.5045   8.8666   0.0000   0.0000   7.5045   8.8666  ?   ?    51.706   20.769      ?      ? 
1 1 1    4   35   20 o   29.244   14.385 -12.9003   7.9612   0.0000   0.0000 -12.9003   7.9612  ?   ?    29.244   14.385      ?      ? 
1 1 1    4   35   21 o  114.040   14.939   40.251   9.2057   0.0000   0.0000   40.251   9.2057  ?   ?   114.040   14.939      ?      ? 
1 1 1    4   35   22 o  108.773   14.320   43.275   7.4577   29.910   12.786   50.166   9.1811   87.592   25.481  129.954   13.074 -42.36206 28.63921 
1 1 1    4   35   23 o   81.693   16.182   23.998   7.1209   26.171   12.630   22.986   8.6220   81.263   25.690   82.123   19.685 -0.8602066 32.36455 
1 1 1    4   35   24 o   45.621   14.686   0.0721   7.0894   6.2815   13.432  -2.3259   8.3468   53.165   23.559   38.077   17.540 15.08830 29.37118 
1 1 1    4   35   25 o   48.743   14.795   5.6272   6.4865   7.5473   12.070   4.8474   7.6915   52.413   22.805   45.073   18.854 7.340683 29.58972 
1 1 1    4   36    0 o  110.009   14.309   35.426   8.5058   0.0000   0.0000   35.426   8.5058  ?   ?   110.009   14.309      ?      ? 
1 1 1    4   36    1 o  107.061   15.924   34.167   9.2122   0.0000   0.0000   34.167   9.2122  ?   ?   107.061   15.924      ?      ? 
1 1 1    4   36    2 o   88.634   18.941   24.955   8.7964   0.0000   0.0000   24.955   8.7964  ?   ?    88.634   18.941      ?      ? 
1 1 1    4   36    3 o   72.532   22.036   17.581   9.3992   0.0000   0.0000   17.581   9.3992  ?   ?    72.532   22.036      ?      ? 
1 1 1    4   36    5 o   56.086   26.558  -8.5721   21.426   0.0000   0.0000  -8.5721   21.426  ?   ?    56.086   26.558      ?      ? 
1 1 1    4   36    6 o   87.946   23.830   26.745   11.606   0.0000   0.0000   26.745   11.606  ?   ?    87.946   23.830      ?      ? 
1 1 1    4   36    7 o   76.307   24.843   20.543   11.749   0.0000   0.0000   20.543   11.749  ?   ?    76.307   24.843      ?      ? 
1 1 1    4   36    8 o   56.087   23.317   7.2847   11.661   0.0000   0.0000   7.2847   11.661  ?   ?    56.087   23.317      ?      ? 
1 1 1    4   36    9 o   42.712   19.856  -4.8908   11.068   0.0000   0.0000  -4.8908   11.068  ?   ?    42.712   19.856      ?      ? 
1 1 1    4   36   10 o   78.350   24.028   22.425   11.140   0.0000   0.0000   22.425   11.140  ?   ?    78.350   24.028      ?      ? 
1 1 1    4   36   11 o   33.164   16.470 -21.1161   11.367   0.0000   0.0000 -21.1161   11.367  ?   ?    33.164   16.470      ?      ? 
1 1 1    4   36   12 o   31.558   15.634 -17.7134   10.000   0.0000   0.0000 -17.7134   10.000  ?   ?    31.558   15.634      ?      ? 
1 1 1    4   36   13 o  147.584   11.739   64.343   9.3620   0.0000   0.0000   64.343   9.3620  ?   ?   147.584   11.739      ?      ? 
1 1 1    4   36   14 o   51.525   19.966   8.3228   7.9331   0.0000   0.0000   8.3228   7.9331  ?   ?    51.525   19.966      ?      ? 
1 1 1    4   36   15 o   40.031   18.045  -0.6130   8.2475   0.0000   0.0000  -0.6130   8.2475  ?   ?    40.031   18.045      ?      ? 
1 1 1    4   36   16 o   83.033   19.075   23.125   8.3786   0.0000   0.0000   23.125   8.3786  ?   ?    83.033   19.075      ?      ? 
1 1 1    4   36   17 o   39.082   17.656  -1.0331   7.9461   0.0000   0.0000  -1.0331   7.9461  ?   ?    39.082   17.656      ?      ? 
1 1 1    4   36   18 o   70.651   20.558   17.849   8.3222   0.0000   0.0000   17.849   8.3222  ?   ?    70.651   20.558      ?      ? 
1 1 1    4   36   19 o  142.261   11.601   59.871   8.9183   0.0000   0.0000   59.871   8.9183  ?   ?   142.261   11.601      ?      ? 
1 1 1    4   36   20 o   96.863   16.061   30.211   8.4066   0.0000   0.0000   30.211   8.4066  ?   ?    96.863   16.061      ?      ? 
1 1 1    4   37    0 o   77.862   24.665   23.449   11.638   0.0000   0.0000   23.449   11.638  ?   ?    77.862   24.665      ?      ? 
1 1 1    4   37    1 o   34.906   17.155 -16.5906   11.241   0.0000   0.0000 -16.5906   11.241  ?   ?    34.906   17.155      ?      ? 
1 1 1    4   37    2 o   38.842   18.561  -8.6619   10.958   0.0000   0.0000  -8.6619   10.958  ?   ?    38.842   18.561      ?      ? 
1 1 1    4   37    3 o   48.639   24.086 -25.5856   23.647   0.0000   0.0000 -25.5856   23.647  ?   ?    48.639   24.086      ?      ? 
1 1 1    4   37    4 o   37.522   18.037  -9.9891   10.692   0.0000   0.0000  -9.9891   10.692  ?   ?    37.522   18.037      ?      ? 
1 1 1    4   37    5 o   89.044   17.865   25.859   8.2972   0.0000   0.0000   25.859   8.2972  ?   ?    89.044   17.865      ?      ? 
1 1 1    4   37    6 o   80.654   19.506   22.067   8.4081   0.0000   0.0000   22.067   8.4081  ?   ?    80.654   19.506      ?      ? 
1 1 1    4   37    7 o   62.206   21.111   13.520   8.4665   0.0000   0.0000   13.520   8.4665  ?   ?    62.206   21.111      ?      ? 
1 1 1    4   37    8 o   59.388   21.143   12.220   8.5438   0.0000   0.0000   12.220   8.5438  ?   ?    59.388   21.143      ?      ? 
1 1 1    4   37    9 o   54.869   20.857   9.9610   8.5438   0.0000   0.0000   9.9610   8.5438  ?   ?    54.869   20.857      ?      ? 
1 1 1    4   37   10 o   90.789   18.085   27.663   8.5607   0.0000   0.0000   27.663   8.5607  ?   ?    90.789   18.085      ?      ? 
1 1 1    4   37   11 o   49.315   19.891   7.1727   8.1696   0.0000   0.0000   7.1727   8.1696  ?   ?    49.315   19.891      ?      ? 
1 1 1    4   37   12 o   97.589   15.876   30.504   8.3719   0.0000   0.0000   30.504   8.3719  ?   ?    97.589   15.876      ?      ? 
1 1 1    4   37   13 o   85.711   19.405   25.974   8.7783   0.0000   0.0000   25.974   8.7783  ?   ?    85.711   19.405      ?      ? 
1 1 1    5    0    0 f  2735.81   32.358 20328.82  676.075 20328.82  676.075 20328.82  676.075  2735.81   45.761  2735.81   45.761 0.000000 0.000000 
1 1 1    5    0    1 o  3003.98   35.576 24527.16  816.174 24527.16  816.174 24527.16  816.174  3003.98   50.312  3003.98   50.312 0.000000 0.000000 
1 1 1    5    0    2 o  246.302   3.7016  164.137   6.9601  164.137   6.9601  164.137   6.9601  246.302   5.2349  246.302   5.2349 0.000000 0.000000 
1 1 1    5    0    3 o  856.374   10.335  1983.96   67.593  1983.96   67.593  1983.96   67.593  856.374   14.616  856.374   14.616 0.000000 0.000000 
1 1 1    5    0    4 o  1488.96   17.683  6001.79  201.084  6001.79  201.084  6001.79  201.084  1488.96   25.008  1488.96   25.008 0.000000 0.000000 
1 1 1    5    0    5 o  1477.61   17.551  5910.93  198.056  5910.93  198.056  5910.93  198.056  1477.61   24.821  1477.61   24.821 0.000000 0.000000 
1 1 1    5    0    6 f  1264.03   15.054  4324.91  145.324  4324.91  145.324  4324.91  145.324  1264.03   21.290  1264.03   21.290 0.000000 0.000000 
1 1 1    5    0    7 o  213.129   3.4657  122.929   5.6379  122.929   5.6379  122.929   5.6379  213.129   4.9012  213.129   4.9012 0.000000 0.000000 
1 1 1    5    0    8 o  2464.40   29.179 16486.75  549.181 16486.75  549.181 16486.75  549.181  2464.40   41.266  2464.40   41.266 0.000000 0.000000 
1 1 1    5    0    9 o  751.096   9.1351  1526.09   52.399  1526.09   52.399  1526.09   52.399  751.096   12.919  751.096   12.919 0.000000 0.000000 
1 1 1    5    0   10 f  335.728   4.6182  304.902   11.838  304.902   11.838  304.902   11.838  335.728   6.5311  335.728   6.5311 0.000000 0.000000 
1 1 1    5    0   11 o  369.401   4.9652  369.117   14.005  369.117   14.005  369.117   14.005  369.401   7.0219  369.401   7.0219 0.000000 0.000000 
1 1 1    5    0   12 o  352.388   4.8057  335.910   12.931  335.910   12.931  335.910   12.931  352.388   6.7963  352.388   6.7963 0.000000 0.000000 
1 1 1    5    0   13 o  357.141   4.8621  345.036   13.259  345.036   13.259  345.036   13.259  357.141   6.8760  357.141   6.8760 0.000000 0.000000 
1 1 1    5    0   14 o  453.013   5.8645  555.123   20.287  555.123   20.287  555.123   20.287  453.013   8.2937  453.013   8.2937 0.000000 0.000000 
1 1 1    5    0   15 o  344.345   4.7617  320.769   12.519  320.769   12.519  320.769   12.519  344.345   6.7341  344.345   6.7341 0.000000 0.000000 
1 1 1    5    0   16 o  522.799   6.6264  739.358   26.454  739.358   26.454  739.358   26.454  522.799   9.3711  522.799   9.3711 0.000000 0.000000 
1 1 1    5    0   17 o  393.797   5.2749  419.533   15.861  419.533   15.861  419.533   15.861  393.797   7.4599  393.797   7.4599 0.000000 0.000000 
1 1 1    5    0   18 o  755.425   9.2218  1544.58   53.201  1544.58   53.201  1544.58   53.201  755.425   13.042  755.425   13.042 0.000000 0.000000 
1 1 1    5    0   19 o  551.946   6.9597  824.319   29.335  824.319   29.335  824.319   29.335  551.946   9.8425  551.946   9.8425 0.000000 0.000000 
1 1 1    5    0   20 o  185.852   3.6645   93.555   5.1953   93.555   5.1953   93.555   5.1953  185.852   5.1823  185.852   5.1823 0.000000 0.000000 
1 1 1    5    0   21 o   64.183   5.4487   11.607   2.5705   11.607   2.5705   11.607   2.5705   64.183   7.7056   64.183   7.7056 0.000000 0.000000 
1 1 1    5    0   22 o  479.767   6.2047  622.832   22.731  622.832   22.731  622.832   22.731  479.767   8.7747  479.767   8.7747 0.000000 0.000000 
1 1 1    5    0   23 o   60.020   6.3954   10.378   2.7366   10.378   2.7366   10.378   2.7366   60.020   9.0444   60.020   9.0444 0.000000 0.000000 
1 1 1    5    0   24 o  217.053   3.9537  127.571   6.5481  127.571   6.5481  127.571   6.5481  217.053   5.5913  217.053   5.5913 0.000000 0.000000 
1 1 1    5    0   25 o  710.385   8.7486  1366.11   47.461  1366.11   47.461  1366.11   47.461  710.385   12.372  710.385   12.372 0.000000 0.000000 
1 1 1    5    0   26 o  462.217   6.0608  578.099   21.392  578.099   21.392  578.099   21.392  462.217   8.5713  462.217   8.5713 0.000000 0.000000 
1 1 1    5    0   27 o  433.014   5.7802  507.329   19.112  507.329   19.112  507.329   19.112  433.014   8.1744  433.014   8.1744 0.000000 0.000000 
1 1 1    5    0   28 o  134.300   4.3198   49.043   4.4126   49.043   4.4126   49.043   4.4126  134.300   6.1091  134.300   6.1091 0.000000 0.000000 
1 1 1    5    0   29 o  721.715   8.9032  1409.68   49.070  1409.68   49.070  1409.68   49.070  721.715   12.591  721.715   12.591 0.000000 0.000000 
1 1 1    5    0   30 o  1752.70   20.845  8337.82  279.018  8337.82  279.018  8337.82  279.018  1752.70   29.479  1752.70   29.479 0.000000 0.000000 
1 1 1    5    0   31 o  415.854   5.7286  467.891   18.189  467.891   18.189  467.891   18.189  415.854   8.1014  415.854   8.1014 0.000000 0.000000 
1 1 1    5    0   32 o  113.858   5.8874   35.594   5.0597   35.594   5.0597   35.594   5.0597  113.858   8.3261  113.858   8.3261 0.000000 0.000000 
1 1 1    5    0   33 o  124.559   6.0392   42.520   5.6864   42.520   5.6864   42.520   5.6864  124.559   8.5407  124.559   8.5407 0.000000 0.000000 
1 1 1    5    0   36 o  389.301   8.0298  410.811   23.843  410.811   23.843  410.811   23.843  389.301   11.356  389.301   11.356 0.000000 0.000000 
1 1 1    5    0   37 o  390.184   5.6711  412.018   16.894  412.018   16.894  412.018   16.894  390.184   8.0202  390.184   8.0202 0.000000 0.000000 
1 1 1    5    0   38 o  289.384   5.1903  226.769   11.461  226.769   11.461  226.769   11.461  289.384   7.3402  289.384   7.3402 0.000000 0.000000 
1 1 1    5    0   39 o  435.052   6.1774  512.261   20.519  512.261   20.519  512.261   20.519  435.052   8.7362  435.052   8.7362 0.000000 0.000000 
1 1 1    5    0   40 o  413.638   6.0361  463.098   19.062  463.098   19.062  463.098   19.062  413.638   8.5363  413.638   8.5363 0.000000 0.000000 
1 1 1    5    0   41 o   31.755   13.961   1.7480   6.8236   1.7480   6.8236   1.7480   6.8236   31.755   19.744   31.755   19.744 0.000000 0.000000 
1 1 1    5    0   42 o  682.334   8.6151  1260.82   44.890  1260.82   44.890  1260.82   44.890  682.334   12.184  682.334   12.184 0.000000 0.000000 
1 1 1    5    0   43 o   55.752   15.939   11.726   6.6363   11.726   6.6363   11.726   6.6363   55.752   22.541   55.752   22.541 0.000000 0.000000 
1 1 1    5    0   44 o  512.608   6.8744  711.615   26.907  711.615   26.907  711.615   26.907  512.608   9.7218  512.608   9.7218 0.000000 0.000000 
1 1 1    5    0   45 o  269.902   5.2676  197.433   10.846  197.433   10.846  197.433   10.846  269.902   7.4495  269.902   7.4495 0.000000 0.000000 
1 1 1    5    0   46 o  461.580   6.4156  577.187   22.611  577.187   22.611  577.187   22.611  461.580   9.0731  461.580   9.0731 0.000000 0.000000 
1 1 1    5    0   47 o   39.521   14.942   6.1004   6.1661   6.1004   6.1661   6.1004   6.1661   39.521   21.131   39.521   21.131 0.000000 0.000000 
1 1 1    5    0   48 o  430.254   6.1366  501.721   20.158  501.721   20.158  501.721   20.158  430.254   8.6785  430.254   8.6785 0.000000 0.000000 
1 1 1    5    0   49 o   49.775   15.466   9.7229   6.1546   9.7229   6.1546   9.7229   6.1546   49.775   21.872   49.775   21.872 0.000000 0.000000 
1 1 1    5    0   50 o   88.259   10.741   22.960   6.6006   22.960   6.6006   22.960   6.6006   88.259   15.190   88.259   15.190 0.000000 0.000000 
1 1 1    5    0   51 o  159.340   6.1616   69.414   7.4515   69.414   7.4515   69.414   7.4515  159.340   8.7138  159.340   8.7138 0.000000 0.000000 
1 1 1    5    0   52 o   91.416   10.057   24.341   6.5194   24.341   6.5194   24.341   6.5194   91.416   14.223   91.416   14.223 0.000000 0.000000 
1 1 1    5    0   53 o  305.689   5.3321  253.666   12.439  253.666   12.439  253.666   12.439  305.689   7.5407  305.689   7.5407 0.000000 0.000000 
1 1 1    5    0   54 o  203.961   5.5510  113.312   8.6230  113.312   8.6230  113.312   8.6230  203.961   7.8503  203.961   7.8503 0.000000 0.000000 
1 1 1    5    0   55 o  252.477   5.2304  173.320   10.072  173.320   10.072  173.320   10.072  252.477   7.3969  252.477   7.3969 0.000000 0.000000 
1 1 1    5    0   56 o  298.076   5.3810  241.590   12.239  241.590   12.239  241.590   12.239  298.076   7.6099  298.076   7.6099 0.000000 0.000000 
1 1 1    5    0   57 o  122.474   7.5256   41.841   6.9211   41.841   6.9211   41.841   6.9211  122.474   10.643  122.474   10.643 0.000000 0.000000 
1 1 1    5    0   58 o  285.929   5.4458  222.672   11.880  222.672   11.880  222.672   11.880  285.929   7.7015  285.929   7.7015 0.000000 0.000000 
1 1 1    5    0   59 o  148.613   6.5103   60.910   7.3286   60.910   7.3286   60.910   7.3286  148.613   9.2069  148.613   9.2069 0.000000 0.000000 
1 1 1    5    0   60 o   82.026   12.160   20.914   6.7140   20.914   6.7140   20.914   6.7140   82.026   17.197   82.026   17.197 0.000000 0.000000 
1 1 1    5    0   61 o  255.381   5.5626  178.210   10.833  178.210   10.833  178.210   10.833  255.381   7.8668  255.381   7.8668 0.000000 0.000000 
1 1 1    5    0   64 o   69.148   21.845   21.126   12.271   21.126   12.271   21.126   12.271   69.148   30.893   69.148   30.893 0.000000 0.000000 
1 1 1    5    0   65 o  146.147   8.1244   60.430   8.9447   60.430   8.9447   60.430   8.9447  146.147   11.490  146.147   11.490 0.000000 0.000000 
1 1 1    5    0   66 o  249.764   6.2133  171.822   11.826  171.822   11.826  171.822   11.826  249.764   8.7870  249.764   8.7870 0.000000 0.000000 
1 1 1    5    0   67 o  236.623   6.3948  155.278   11.525  155.278   11.525  155.278   11.525  236.623   9.0436  236.623   9.0436 0.000000 0.000000 
1 1 1    5    0   68 o   61.844   18.463   16.722   8.8126   16.722   8.8126   16.722   8.8126   61.844   26.111   61.844   26.111 0.000000 0.000000 
1 1 1    5    0   69 o   39.008   16.359   6.8605   8.4665   6.8605   8.4665   6.8605   8.4665   39.008   23.136   39.008   23.136 0.000000 0.000000 
1 1 1    5    1    0 o  151.787   4.2427   62.252   3.4799   62.252   3.4799   0.0000   0.0000  151.787   4.2427  ?   ?       ?      ? 
1 1 1    5    1    1 o  176.653   3.1612   84.313   3.0174   83.156   4.2450   85.494   4.2899  175.428   4.4781  177.878   4.4631 -2.449936 6.322359 
1 1 1    5    1    2 o  1147.38   13.681  3559.54   84.776  3629.03  122.311  3495.29  117.609  1158.13   19.544  1136.63   19.148 21.50842 27.36132 
1 1 1    5    1    3 o  1203.63   14.340  3911.38   93.095  4056.69  136.697  3785.68  127.136  1224.40   20.661  1182.86   19.890 41.53979 28.67928 
1 1 1    5    1    4 o  1210.00   17.622  3984.93  109.548  4031.20  135.782  3898.65  185.411  1220.54   20.587  1199.45   28.607 21.09424 35.24449 
1 1 1    5    1    5 o  1217.77   20.544  4013.48  135.186   0.0000   0.0000  4013.48  135.186  ?   ?   1217.77   20.544      ?      ? 
1 1 1    5    1    6 o  448.819   8.1700  543.813   19.795  561.261   28.782  528.153   27.267  455.638   11.690  442.001   11.416 13.63672 16.33993 
1 1 1    5    1    7 o  913.252   13.490  2249.70   62.436  2235.50   75.965  2279.28  109.606  909.096   15.464  917.407   22.110 -8.312073 26.98096 
1 1 1    5    1    8 o  1584.64   18.822  6802.97  161.106  6694.98  224.128  6918.42  231.739  1571.68   26.390  1597.60   26.844 -25.92432 37.64346 
1 1 1    5    1   10 o  404.757   5.3166  441.385   11.604  422.877   15.804  463.036   17.093  395.580   7.3934  413.935   7.6420 -18.35464 10.63313 
1 1 1    5    1   11 o  1079.32   12.902  3151.15   75.246  3169.02  107.032  3133.69  105.806  1082.34   18.300  1076.30   18.192 6.041748 25.80434 
1 1 1    5    1   12 o  489.129   6.2236  646.042   16.439  631.714   22.763  661.661   23.766  483.467   8.7131  494.791   8.8890 -11.32358 12.44723 
1 1 1    5    1   13 o  1112.90   13.304  3351.25   79.999  3326.13  112.246  3377.19  114.046  1108.67   18.736  1117.13   18.892 -8.462036 26.60756 
1 1 1    5    1   14 o  1042.21   12.483  2938.70   70.289  2970.28  100.451  2908.40   98.388  1047.68   17.743  1036.73   17.563 10.95508 24.96544 
1 1 1    5    1   15 o  594.501   7.3934  955.290   23.748  965.078   33.914  945.873   33.265  597.487   10.504  591.515   10.407 5.971558 14.78679 
1 1 1    5    1   16 o  308.146   4.4286  256.602   7.3739  257.642   10.467  255.577   10.390  308.766   6.2736  307.526   6.2522 1.239471 8.857110 
1 1 1    5    1   17 o  140.642   3.4778   53.449   2.6430   52.783   3.7190   54.128   3.7567  139.758   4.9245  141.527   4.9122 -1.768768 6.955643 
1 1 1    5    1   18 o  488.313   6.2624  644.103   16.512  661.365   23.926  628.404   22.816  494.549   8.9529  482.077   8.7587 12.47253 12.52476 
1 1 1    5    1   19 o  464.280   6.0133  582.448   15.078  595.215   21.749  570.632   20.923  469.172   8.5786  459.388   8.4288 9.784210 12.02652 
1 1 1    5    1   20 o  890.913   10.774  2149.65   51.854  2178.42   74.313  2122.36   72.390  896.703   15.337  885.122   15.135 11.58118 21.54714 
1 1 1    5    1   21 o  272.528   4.2075  200.742   6.1959  198.678   8.7200  202.847   8.8052  271.113   5.9522  273.944   5.9483 -2.830200 8.414927 
1 1 1    5    1   22 o  247.183   4.0453  164.884   5.3988  172.514   7.8238  157.949   7.4594  252.633   5.7311  241.733   5.7106 10.89938 8.090508 
1 1 1    5    1   23 o  192.786   3.8043  100.455   3.9630  101.008   5.6303   99.912   5.5791  193.312   5.3900  192.261   5.3702 1.051361 7.608593 
1 1 1    5    1   24 o  464.491   6.0588  583.509   15.207  587.048   21.640  580.058   21.373  465.880   8.5960  463.102   8.5408 2.778534 12.11763 
1 1 1    5    1   25 f  829.228   10.088  1862.68   45.200  1877.01   64.444  1848.79   63.413  832.358   14.328  826.097   14.206 6.261169 20.17640 
1 1 1    5    1   26 o  403.872   5.4772  440.718   11.948  451.155   17.227  431.044   16.585  408.473   7.8047  399.270   7.6869 9.203339 10.95450 
1 1 1    5    1   27 o  279.468   4.4105  211.081   6.6598  213.050   9.5046  209.183   9.3345  280.747   6.2652  278.189   6.2096 2.558075 8.821059 
1 1 1    5    1   28 o  290.920   4.5405  228.598   7.1343  234.008   10.287  223.583   9.9033  294.233   6.4698  287.607   6.3722 6.626648 9.080959 
1 1 1    5    1   29 o  379.696   5.3219  389.483   10.915  397.924   15.721  381.629   15.165  383.664   7.5832  375.729   7.4691 7.934357 10.64388 
1 1 1    5    1   30 o  634.316   7.9473  1087.26   27.221  1114.20   39.394  1062.64   37.658  641.822   11.359  626.810   11.118 15.01227 15.89457 
1 1 1    5    1   31 o  1534.16   18.292  6390.20  151.603  6475.23  217.349  6309.64  211.567  1544.04   26.050  1524.28   25.686 19.75940 36.58385 
1 1 1    5    1   32 o  704.901   8.7442  1344.05   33.304  1354.67   47.487  1333.77   46.720  707.637   12.419  702.164   12.313 5.473206 17.48845 
1 1 1    5    1   33 o  1063.26   25.652  3072.07  147.382  3072.07  147.382   0.0000   0.0000  1063.26   25.652  ?   ?       ?      ? 
1 1 1    5    1   34 o  234.039   9.4556  148.108   11.958  148.108   11.958   0.0000   0.0000  234.039   9.4556  ?   ?       ?      ? 
1 1 1    5    1   36 o  949.078   23.180  2448.20  118.878  2448.20  118.878   0.0000   0.0000  949.078   23.180  ?   ?       ?      ? 
1 1 1    5    1   37 o  717.614   10.956  1398.75   40.189  1405.76   49.462  1385.14   68.944  720.609   12.702  714.620   17.854 5.989014 21.91143 
1 1 1    5    1   38 o  1475.24   17.676  5923.79  140.895  5965.91  200.739  5882.88  197.805  1480.37   25.094  1470.12   24.900 10.25256 35.35141 
1 1 1    5    1   39 o  368.905   5.6657  368.019   11.293  367.903   16.075  368.132   15.869  368.846   8.0654  368.965   7.9592 -0.1188354 11.33133 
1 1 1    5    1   40 o  489.220   6.6665  647.449   17.623  647.327   24.984  647.570   24.862  489.173   9.4518  489.268   9.4038 -0.9478760E-01 13.33290 
1 1 1    5    1   41 o  556.135   7.3061  837.044   21.953  845.489   31.381  828.952   30.720  558.876   10.391  553.395   10.273 5.481018 14.61216 
1 1 1    5    1   42 o  561.388   7.3503  852.847   22.290  865.911   32.012  840.551   31.056  565.551   10.475  557.224   10.314 8.326294 14.70056 
1 1 1    5    1   43 o  162.976   6.1017   71.738   5.3670   76.712   7.7814   67.224   7.4124  168.356   8.5535  157.596   8.7041 10.75920 12.20337 
1 1 1    5    1   44 o  181.233   5.8419   89.025   5.7107   86.589   8.2618   91.253   7.9024  178.845   8.5489  183.622   7.9642 -4.777664 11.68390 
1 1 1    5    1   45 o  222.488   5.4219  134.190   6.5067  125.797   9.2472  142.420   9.1573  215.573   7.9384  229.403   7.3872 -13.83025 10.84380 
1 1 1    5    1   46 o  395.165   5.8500  422.747   12.486  430.283   17.992  415.747   17.341  398.550   8.3542  391.780   8.1913 6.770355 11.70002 
1 1 1    5    1   47 o  252.230   5.2376  171.831   7.1286  181.750   10.421  163.107   9.7732  259.050   7.4442  245.410   7.3698 13.64011 10.47522 
1 1 1    5    1   48 o  124.276   7.2937   41.698   4.8743   47.957   7.1811   36.351   6.6374  132.891   10.000  115.660   10.620 17.23035 14.58730 
1 1 1    5    1   49 o  381.222   5.7641  394.197   11.872  399.408   16.990  389.224   16.596  383.676   8.1946  378.769   8.1085 4.906647 11.52823 
1 1 1    5    1   50 o  274.711   5.2394  204.635   7.7775  205.056   10.974  204.211   11.024  274.997   7.3850  274.424   7.4342 0.5735168 10.47883 
1 1 1    5    1   51 o  152.638   6.2511   63.381   5.1523   61.030   7.3173   65.693   7.2559  149.808   9.0391  155.469   8.6370 -5.660416 12.50213 
1 1 1    5    1   52 o  307.906   5.3361  257.514   8.8782  255.545   12.537  259.496   12.574  306.721   7.5641  309.091   7.5286 -2.369476 10.67218 
1 1 1    5    1   53 o  244.495   5.3446  162.459   7.0608  163.195   9.9604  161.715   10.011  245.059   7.5218  243.931   7.5948 1.127426 10.68914 
1 1 1    5    1   54 o  215.189   5.5146  126.225   6.4024  130.709   8.9182  121.455   9.1970  219.193   7.5295  211.186   8.0592 8.007065 11.02923 
1 1 1    5    1   55 o  129.457   7.1120   45.977   4.9651   49.259   7.0169   42.687   7.0264  134.155   9.6794  124.758   10.423 9.397614 14.22401 
1 1 1    5    1   56 o  179.142   5.8612   87.641   5.6728   88.770   7.9841   86.490   8.0616  180.329   8.1935  177.955   8.3834 2.374023 11.72245 
1 1 1    5    1   57 o   45.022   12.504   3.6039   4.5018   5.2942   6.2916   1.8306   6.4441   48.075   17.980   41.968   17.381 6.107090 25.00784 
1 1 1    5    1   58 o  271.426   5.3705  201.019   7.8701  191.008   10.889  211.969   11.388  264.351   7.6228  278.501   7.5671 -14.15045 10.74095 
1 1 1    5    1   59 f  201.510   5.7629  111.356   6.2739  110.025   8.9271  112.655   8.8192  200.284   8.2485  202.736   8.0503 -2.451355 11.52582 
1 1 1    5    1   60 o   74.704   11.969   16.726   4.7183   16.039   6.8013   17.364   6.5512   73.001   17.474   76.407   16.361 -3.405594 23.93756 
1 1 1    5    1   61 o  125.382   8.8595   42.359   5.8559   54.032   9.6656   35.590   7.3606  138.251   12.938  112.515   12.107 25.73595 17.71901 
1 1 1    5    1   62 o  105.534   17.468   32.838   9.9612   32.838   9.9612   0.0000   0.0000  105.534   17.468  ?   ?       ?      ? 
1 1 1    5    1   64 o  270.281   8.4925  207.733   12.386  198.716   17.682  216.419   17.356  264.092   12.391  276.470   11.617 -12.37869 16.98501 
1 1 1    5    1   65 o  246.184   6.1138  169.305   8.1274  161.961   11.483  176.678   11.505  240.661   8.8298  251.708   8.4587 -11.04675 12.22763 
1 1 1    5    1   66 o  160.393   7.9644   73.102   6.9015   71.175   9.6963   75.079   9.8255  158.197   11.343  162.590   11.183 -4.393951 15.92879 
1 1 1    5    1   67 o   41.827   13.099   0.5742   5.8653   0.3931   8.3596   0.7498   8.2315   41.742   18.537   41.911   18.514 -0.1697388 26.19899 
1 1 1    5    1   68 o  205.139   6.8992  119.932   7.6423  121.727   11.047  118.284   10.583  206.448   9.9027  203.830   9.6089 2.618149 13.79832 
1 1 1    5    1   69 o   74.202   14.858   20.553   6.2649   18.556   9.0113   22.421   8.7158   69.829   21.643   78.576   20.361 -8.746933 29.71515 
1 1 1    5    2    0 o  1473.84   17.492  5880.39  139.275  5812.33  194.546  5951.95  199.476  1465.12   24.573  1482.57   24.899 -17.44971 34.98313 
1 1 1    5    2    1 o  1664.88   19.734  7508.00  177.500  7600.61  254.226  7419.92  247.939  1674.86   28.090  1654.90   27.726 19.96826 39.46864 
1 1 1    5    2    2 o  566.272   10.011  866.693   30.633   0.0000   0.0000  866.693   30.633  ?   ?   566.272   10.011      ?      ? 
1 1 1    5    2    3 o  1430.13   16.993  5537.07  131.308  5581.76  187.270  5493.86  184.165  1435.79   24.137  1424.47   23.926 11.32349 33.98610 
1 1 1    5    2    4 o  826.495   14.157  1847.08   63.228  1847.08   63.228   0.0000   0.0000  826.495   14.157  ?   ?       ?      ? 
1 1 1    5    2    5 o  1150.33   16.835  3589.73   98.871  3567.57  170.199  3601.02  121.469  1147.17   27.456  1153.49   19.488 -6.328003 33.66930 
1 1 1    5    2    6 o  891.200   15.199  2150.17   73.183  2127.70  102.375  2173.65  104.654  886.451   21.372  895.949   21.616 -9.497681 30.39816 
1 1 1    5    2    7 o  558.479   14.001  843.468   42.252   0.0000   0.0000  843.468   42.252  ?   ?   558.479   14.001      ?      ? 
1 1 1    5    2    8 o  794.995   11.890  1691.13   47.398  1660.94   56.972  1759.01   85.426  783.763   13.452  806.228   19.609 -22.46490 23.77933 
1 1 1    5    2    9 o  822.140   9.9420  1827.45   44.166  1816.49   62.083  1838.68   62.844  819.646   14.017  824.633   14.103 -4.987122 19.88395 
1 1 1    5    2   10 o  1056.64   12.648  3018.93   72.191  3063.38  103.687  2977.10  100.571  1064.18   18.031  1049.10   17.741 15.07263 25.29519 
1 1 1    5    2   11 o  832.292   10.060  1872.98   45.245  1878.23   64.166  1867.79   63.808  833.451   14.248  831.132   14.207 2.318481 20.12070 
1 1 1    5    2   12 o  1372.27   16.317  5098.78  120.989  5112.14  171.646  5085.59  170.568  1374.05   23.118  1370.48   23.032 3.561279 32.63303 
1 1 1    5    2   13 o  207.669   3.5743  116.447   4.0095  113.173   5.5791  119.943   5.7660  204.653   5.0450  210.685   5.0647 -6.032074 7.148676 
1 1 1    5    2   14 o  158.607   3.3432   67.976   2.8652   67.463   4.0496   68.491   4.0545  158.008   4.7430  159.207   4.7128 -1.199890 6.686308 
1 1 1    5    2   15 o  921.025   11.091  2294.61   55.193  2314.06   78.719  2275.82   77.406  924.856   15.751  917.193   15.618 7.663269 22.18168 
1 1 1    5    2   16 o  369.611   5.0274  369.219   10.041  369.979   14.225  368.464   14.175  369.990   7.1152  369.232   7.1045 0.7582703 10.05486 
1 1 1    5    2   17 o  456.978   5.9268  564.559   14.635  567.234   20.779  561.925   20.616  458.051   8.3949  455.904   8.3686 2.147614 11.85358 
1 1 1    5    2   18 o  667.054   8.2236  1203.89   29.641  1197.99   41.722  1209.91   42.119  665.406   11.604  668.703   11.656 -3.297058 16.44719 
1 1 1    5    2   19 o  670.869   8.2733  1216.39   29.964  1250.09   43.531  1186.04   41.307  679.677   11.852  662.062   11.546 17.61530 16.54664 
1 1 1    5    2   20 o  420.393   5.5781  477.344   12.663  465.022   17.512  490.845   18.331  414.716   7.8146  426.070   7.9620 -11.35361 11.15624 
1 1 1    5    2   21 o  659.589   8.1603  1176.71   29.072  1199.44   41.880  1155.58   40.388  665.722   11.642  653.456   11.438 12.26599 16.32063 
1 1 1    5    2   22 o  230.784   3.9748  143.909   4.9559  147.359   7.0870  140.609   6.9330  233.490   5.6170  228.079   5.6253 5.410461 7.949548 
1 1 1    5    2   23 o  768.463   9.3937  1598.91   38.993  1625.34   56.071  1574.15   54.262  774.595   13.396  762.332   13.172 12.26361 18.78735 
1 1 1    5    2   24 o  288.191   4.4154  224.523   6.8759  223.652   9.7248  225.394   9.7233  287.631   6.2569  288.750   6.2317 -1.118866 8.830732 
1 1 1    5    2   25 o  194.515   3.9326  102.233   4.1325   99.132   5.7892  105.454   5.9008  191.508   5.5943  197.522   5.5285 -6.013245 7.865107 
1 1 1    5    2   26 o  766.884   9.3929  1591.77   38.909  1618.55   55.982  1566.73   54.116  773.107   13.400  760.661   13.166 12.44641 18.78589 
1 1 1    5    2   27 o  518.217   6.6654  725.278   18.646  747.347   27.129  705.521   25.669  525.671   9.5508  510.763   9.3003 14.90829 13.33088 
1 1 1    5    2   28 o  1616.64   19.296  7112.10  168.500  7229.61  242.393  7002.22  234.397  1629.45   27.529  1603.83   27.046 25.61389 38.59199 
1 1 1    5    2   29 o  364.731   5.2041  359.601   10.257  357.344   14.479  361.874   14.531  363.582   7.3696  365.880   7.3498 -2.297729 10.40820 
1 1 1    5    2   30 o  443.989   5.9692  532.654   14.315  541.473   20.608  524.432   19.900  447.536   8.5215  440.442   8.3613 7.093506 11.93849 
1 1 1    5    2   31 o  1017.55   12.269  2801.55   67.414  2865.47   97.600  2743.24   93.226  1028.61   17.560  1006.49   17.141 22.12000 24.53893 
1 1 1    5    2   32 o  325.499   9.7565  286.487   17.160  286.487   17.160   0.0000   0.0000  325.499   9.7565  ?   ?       ?      ? 
1 1 1    5    2   33 o  738.757   18.189  1478.83   72.612  1478.83   72.612   0.0000   0.0000  738.757   18.189  ?   ?       ?      ? 
1 1 1    5    2   34 o  820.660   14.273  1826.23   63.294  1827.03   89.893  1825.45   89.136  820.825   20.267  820.495   20.104 0.3303833 28.54691 
1 1 1    5    2   35 o  481.267   12.874  626.802   33.480   0.0000   0.0000  626.802   33.480  ?   ?   481.267   12.874      ?      ? 
1 1 1    5    2   36 f  363.127   11.006  356.757   21.596   0.0000   0.0000  356.757   21.596  ?   ?   363.127   11.006      ?      ? 
1 1 1    5    2   37 o  920.401   15.931  2302.91   79.233  2306.31  112.381  2299.55  111.726  921.064   22.580  919.738   22.480 1.325378 31.86217 
1 1 1    5    2   38 o  455.126   6.3264  560.167   15.558  563.542   22.134  556.873   21.873  456.479   8.9734  453.773   8.9202 2.706421 12.65281 
1 1 1    5    2   39 o  528.987   7.0174  757.063   20.059  753.195   28.333  760.950   28.402  527.631   9.9374  530.342   9.9107 -2.711304 14.03479 
1 1 1    5    2   40 o  516.700   6.9128  722.134   19.297  730.596   27.623  714.067   26.969  519.651   9.8371  513.748   9.7148 5.903198 13.82553 
1 1 1    5    2   41 o  113.752   8.0656   35.041   4.9554   35.058   7.1182   35.025   6.9028  113.775   11.578  113.729   11.232 0.4538727E-01 16.13115 
1 1 1    5    2   42 o  443.984   6.2569  533.263   15.007  537.713   21.502  529.037   20.956  445.784   8.9262  442.184   8.7704 3.599426 12.51385 
1 1 1    5    2   43 o  464.135   6.4315  582.302   16.111  600.916   23.485  565.755   22.143  471.117   9.2253  457.152   8.9639 13.96472 12.86303 
1 1 1    5    2   44 o  394.332   5.8524  420.836   12.467  423.901   17.871  417.931   17.400  395.723   8.3574  392.941   8.1948 2.782074 11.70477 
1 1 1    5    2   45 o  518.027   6.9313  727.166   19.402  722.324   27.356  732.068   27.522  516.291   9.8053  519.762   9.7993 -3.471436 13.86257 
1 1 1    5    2   46 o  387.367   5.7878  406.458   12.114  406.160   17.217  406.750   17.050  387.222   8.2281  387.513   8.1422 -0.2915344 11.57567 
1 1 1    5    2   47 o  200.702   5.4965  109.107   5.9554  109.518   8.6198  108.731   8.2376  201.053   7.9341  200.351   7.6089 0.7016144 10.99296 
1 1 1    5    2   48 o  130.878   7.0265   46.416   4.9611   50.318   7.1889   42.867   6.8552  136.130   9.7729  125.627   10.098 10.50347 14.05292 
1 1 1    5    2   49 o  238.394   5.2540  153.746   6.7602  161.431   9.8550  146.916   9.2906  244.003   7.4744  232.784   7.3858 11.21870 10.50794 
1 1 1    5    2   50 o   66.692   11.654   12.444   4.3518   18.452   6.3675   7.1784   5.9613   80.763   15.147   52.621   17.715 28.14163 23.30793 
1 1 1    5    2   51 f  334.825   5.4576  304.372   9.8727  303.965   14.087  304.765   13.841  334.590   7.7912  335.060   7.6445 -0.4705200 10.91523 
1 1 1    5    2   52 o  160.891   5.9849   70.658   5.1785   63.014   7.3449   78.214   7.3024  152.146   8.9338  169.635   7.9664 -17.48895 11.96979 
1 1 1    5    2   53 o  227.523   5.2529  140.615   6.4570  143.251   9.2414  138.101   9.0257  229.602   7.4485  225.445   7.4089 4.157990 10.50585 
1 1 1    5    2   54 o  135.195   6.8528   50.396   4.9530   42.632   7.0766   57.853   6.9349  124.762   10.497  145.628   8.8126 -20.86636 13.70560 
1 1 1    5    2   55 o   83.971   10.484   20.417   4.5477   15.453   6.5730   24.976   6.2987   72.788   17.016   95.153   12.250 -22.36492 20.96705 
1 1 1    5    2   56 o  177.439   5.9014   85.362   5.6364   95.985   8.3704   76.550   7.6240  187.484   8.2622  167.395   8.4285 20.08917 11.80271 
1 1 1    5    2   57 o  198.027   5.6145  106.965   6.0010  111.686   8.7473  102.768   8.2481  202.127   8.0087  193.928   7.8709 8.199112 11.22902 
1 1 1    5    2   58 o  216.857   5.5657  128.689   6.5190  127.678   9.3391  129.650   9.1041  215.981   8.0020  217.733   7.7379 -1.752533 11.13139 
1 1 1    5    2   59 o  154.895   6.5092   65.952   5.4425   68.172   7.9211   63.967   7.4907  157.325   9.3175  152.465   9.0920 4.860107 13.01847 
1 1 1    5    2   60 f  106.792   9.2185   31.914   5.2338   40.307   7.7330   24.819   7.1097  120.026   11.923   93.559   14.063 26.46700 18.43707 
1 1 1    5    2   61 o  119.972   11.377   41.790   7.3409   42.883   10.009   40.518   10.800  122.124   15.167  117.821   16.963 4.303307 22.75432 
1 1 1    5    2   62 o  208.855   8.1100  122.452   9.1491  121.351   12.737  123.626   13.151  207.979   11.333  209.732   11.604 -1.752991 16.22004 
1 1 1    5    2   63 o  138.561   11.528   56.601   8.5695   54.617   12.735   58.243   11.585  135.568   17.384  141.554   15.145 -5.985611 23.05603 
1 1 1    5    2   64 o  105.460   15.247   37.528   8.5510   21.910   12.562   51.014   11.673   79.744   25.664  131.176   16.468 -51.43119 30.49323 
1 1 1    5    2   65 o   61.494   14.546   12.527   6.5991  -0.4349   11.823   18.393   7.9534   48.002   21.625   74.986   19.460 -26.98439 29.09169 
1 1 1    5    2   66 o  128.324   9.4131   48.113   6.4578   42.725   9.4235   52.883   8.8674  120.723   14.445  135.925   12.073 -15.20181 18.82622 
1 1 1    5    2   67 o  173.817   7.5312   87.349   7.0390   78.931   10.037   95.498   9.8748  164.904   11.263  182.729   10.001 -17.82498 15.06238 
1 1 1    5    2   68 o  173.113   7.5080   86.372   6.9974   84.326   10.259   88.152   9.5684  170.677   11.124  175.548   10.087 -4.871017 15.01604 
1 1 1    5    2   69 o  120.184   9.8880   44.657   6.3940   44.465   9.4461   44.819   8.6865  119.188   14.667  121.179   13.266 -1.991371 19.77602 
1 1 1    5    3    0 f   82.018   3.5136   18.198   1.5553   17.583   2.2304   18.780   2.1698   80.667   5.1169   83.368   4.8165 -2.701378 7.027178 
1 1 1    5    3    1 o  542.819   6.8196  796.373   20.003  799.246   28.403  793.546   28.175  543.790   9.6659  541.849   9.6229 1.941650 13.63927 
1 1 1    5    3    3 o  972.200   11.702  2556.24   61.464  2584.00   87.942  2529.74   85.939  977.351   16.652  967.049   16.446 10.30109 23.40375 
1 1 1    5    3    4 o  785.754   13.496  1669.55   57.304   0.0000   0.0000  1669.55   57.304  ?   ?   785.754   13.496      ?      ? 
1 1 1    5    3    5 o  1158.14   16.175  3548.50   84.688  3788.29  180.865  3481.16   95.844  1181.84   28.321  1134.43   15.635 47.41223 32.35002 
1 1 1    5    3    6 o  1785.27   42.529  8682.43  410.280  8682.43  410.280   0.0000   0.0000  1785.27   42.529  ?   ?       ?      ? 
1 1 1    5    3    7 o  408.017   5.3730  449.452   11.838  461.725   17.131  438.234   16.378  413.342   7.6698  402.692   7.5266 10.64999 10.74596 
1 1 1    5    3    8 o  1241.15   20.919  4168.96  140.301   0.0000   0.0000  4168.96  140.301  ?   ?   1241.15   20.919      ?      ? 
1 1 1    5    3    9 o  1129.02   13.492  3447.71   82.294  3488.30  117.831  3409.05  114.983  1135.49   19.204  1122.54   18.956 12.95239 26.98356 
1 1 1    5    3   10 o  350.952   4.8133  332.803   9.1273  335.197   13.005  330.479   12.813  352.195   6.8334  349.708   6.7804 2.486664 9.626521 
1 1 1    5    3   11 o  1589.20   18.864  6842.72  161.997  6825.10  228.457  6860.54  229.744  1587.15   26.638  1591.25   26.719 -4.102295 37.72888 
1 1 1    5    3   12 o  561.841   7.0355  853.241   21.359  850.731   30.141  855.773   30.273  561.011   9.9426  562.671   9.9566 -1.659790 14.07091 
1 1 1    5    3   13 o  525.920   6.6447  747.453   18.880  756.556   27.015  738.761   26.396  529.049   9.4498  522.792   9.3439 6.256531 13.28933 
1 1 1    5    3   14 o  755.718   9.2079  1543.36   37.582  1514.20   52.143  1574.89   54.216  748.300   12.895  763.136   13.147 -14.83545 18.41579 
1 1 1    5    3   15 o  414.394   5.4866  463.967   12.283  470.705   17.613  457.587   17.138  417.321   7.8103  411.467   7.7078 5.854309 10.97320 
1 1 1    5    3   16 o  697.845   8.5669  1317.18   32.304  1323.08   45.884  1311.39   45.489  699.392   12.141  696.298   12.090 3.093933 17.13390 
1 1 1    5    3   17 o  581.805   7.2819  915.528   22.893  912.497   32.282  918.595   32.471  580.837   10.285  582.773   10.311 -1.936035 14.56387 
1 1 1    5    3   18 o  642.296   7.9561  1115.47   27.600  1137.17   39.781  1095.33   38.325  648.306   11.356  636.286   11.147 12.02081 15.91215 
1 1 1    5    3   19 o  422.904   5.6080  483.556   12.816  481.206   18.080  485.928   18.168  421.872   7.9310  423.937   7.9309 -2.065186 11.21604 
1 1 1    5    3   20 o  283.622   4.3182  217.419   6.6176  219.036   9.4223  215.844   9.2965  284.663   6.1254  282.582   6.0882 2.081421 8.636364 
1 1 1    5    3   21 o  406.732   5.4643  447.136   12.007  440.177   16.749  454.492   17.220  403.479   7.6823  409.984   7.7728 -6.504700 10.92857 
1 1 1    5    3   22 o  545.352   6.9166  804.604   20.383  802.891   28.780  806.329   28.871  544.770   9.7768  545.935   9.7865 -1.164429 13.83329 
1 1 1    5    3   23 f  304.335   4.5398  249.741   7.4540  261.915   10.924  239.134   10.197  311.255   6.4951  297.415   6.3446 13.83997 9.079657 
1 1 1    5    3   24 o  501.378   6.4641  679.944   17.513  676.348   24.673  683.595   24.861  500.043   9.1313  502.713   9.1519 -2.670288 12.92817 
1 1 1    5    3   25 o  284.263   4.4453  218.311   6.8257  222.756   9.8216  214.158   9.4927  287.059   6.3317  281.467   6.2413 5.592072 8.890689 
1 1 1    5    3   26 o  834.859   10.170  1887.77   45.877  1899.19   65.300  1876.65   64.466  837.344   14.432  832.374   14.333 4.969849 20.33969 
1 1 1    5    3   27 o  328.536   4.8514  291.687   8.6107  295.606   12.335  287.962   12.026  330.687   6.9030  326.385   6.8185 4.301758 9.702736 
1 1 1    5    3   28 o  641.476   8.0168  1113.03   27.785  1124.30   39.702  1102.21   38.897  644.655   11.397  638.297   11.277 6.357544 16.03366 
1 1 1    5    3   29 o  541.439   6.9467  792.467   20.318  803.937   29.167  781.652   28.321  545.241   9.8994  537.638   9.7482 7.602844 13.89340 
1 1 1    5    3   30 o  1045.92   12.621  2949.05   71.041  3115.06  106.343  2815.26   95.468  1072.30   18.353  1019.54   17.329 52.75592 25.24110 
1 1 1    5    3   31 o  1045.58   25.192  2968.47  142.334  2968.47  142.334   0.0000   0.0000  1045.58   25.192  ?   ?       ?      ? 
1 1 1    5    3   32 o  1345.75   32.285  4936.94  234.779  4936.94  234.779   0.0000   0.0000  1345.75   32.285  ?   ?       ?      ? 
1 1 1    5    3   33 o  647.368   11.537  1134.18   40.327  1153.38   58.381  1116.67   55.769  652.581   16.556  642.156   16.072 10.42529 23.07379 
1 1 1    5    3   34 o  403.003   7.0714  439.207   14.382  439.189   25.370  439.216   17.458  402.932   11.652  403.074   8.0154 -0.1420288 14.14272 
1 1 1    5    3   35 o  362.368   7.8041  354.814   15.272  338.964   21.219  371.847   21.997  353.980   11.093  370.757   10.980 -16.77713 15.60812 
1 1 1    5    3   36 o  439.945   12.294  523.874   29.228   0.0000   0.0000  523.874   29.228  ?   ?   439.945   12.294      ?      ? 
1 1 1    5    3   37 o  782.528   13.788  1657.22   58.158  1726.58   85.949  1598.65   78.988  797.504   19.944  767.551   19.044 29.95306 27.57652 
1 1 1    5    3   38 o  830.628   12.464  1881.47   53.255  1904.98   66.124  1838.06   89.844  838.562   14.593  822.694   20.210 15.86823 24.92760 
1 1 1    5    3   39 o  933.894   11.392  2363.06   57.455  2412.60   83.040  2317.57   79.577  943.239   16.292  924.550   15.928 18.68939 22.78478 
1 1 1    5    3   40 o  563.153   7.3721  857.880   22.426  870.720   32.238  845.842   31.217  567.226   10.518  559.080   10.333 8.146179 14.74424 
1 1 1    5    3   41 o  151.925   6.5974   62.545   5.4076   60.554   7.7905   64.396   7.5120  149.581   9.6384  154.270   9.0113 -4.688980 13.19479 
1 1 1    5    3   42 o  208.230   5.5663  116.994   6.2535  122.535   9.1622  112.162   8.5564  212.831   7.9667  203.629   7.7761 9.201965 11.13268 
1 1 1    5    3   43 o  295.273   5.3946  235.793   8.5988  238.414   12.472  233.418   11.871  296.828   7.7758  293.718   7.4796 3.110107 10.78926 
1 1 1    5    3   44 o  315.361   5.3933  269.114   9.1889  270.210   13.136  268.064   12.858  315.985   7.6935  314.736   7.5604 1.248749 10.78655 
1 1 1    5    3   45 o  111.803   8.3998   35.060   4.8979   25.865   7.1800   43.062   6.6984   97.554   13.621  126.052   9.8341 -28.49805 16.79969 
1 1 1    5    3   46 o  316.722   5.4097  271.409   9.2493  276.859   13.435  266.498   12.753  319.730   7.7760  313.714   7.5229 6.015656 10.81945 
1 1 1    5    3   47 o  303.631   5.3359  249.765   8.7529  247.790   12.476  251.679   12.283  302.440   7.6342  304.822   7.4570 -2.382721 10.67181 
1 1 1    5    3   48 o  208.155   5.5104  116.957   6.1810  123.979   9.1663  111.102   8.3704  213.848   7.9323  202.462   7.6509 11.38579 11.02082 
1 1 1    5    3   49 o  307.953   5.3681  257.064   8.9267  259.994   12.899  254.371   12.367  309.618   7.7095  306.287   7.4720 3.330750 10.73624 
1 1 1    5    3   50 o  220.018   5.3752  130.395   6.3642  141.423   9.5453  121.570   8.5392  228.318   7.7368  211.717   7.4641 16.60074 10.75035 
1 1 1    5    3   51 f  250.381   5.2842  169.965   7.1437  175.365   10.358  165.067   9.8655  254.158   7.5420  246.605   7.4034 7.553406 10.56843 
1 1 1    5    3   52 o   42.780   11.888   1.8383   4.2060   6.3238   6.3606  -1.6471   5.6067   51.072   18.236   34.488   15.255 16.58358 23.77555 
1 1 1    5    3   53 o  307.086   5.3719  256.404   8.9117  250.388   12.632  262.363   12.574  303.474   7.7032  310.699   7.4894 -7.225098 10.74386 
1 1 1    5    3   54 o  375.513   5.7867  384.267   11.741  383.262   16.700  385.248   16.510  375.005   8.2414  376.021   8.1254 -1.015961 11.57339 
1 1 1    5    3   55 o  137.381   6.8800   51.410   5.0930   55.362   7.5575   48.122   6.8933  142.173   9.8373  132.590   9.6212 9.583038 13.76005 
1 1 1    5    3   56 o  154.931   6.3791   65.309   5.3245   71.802   7.8875   59.872   7.2170  161.966   9.0122  147.895   9.0306 14.07089 12.75818 
1 1 1    5    3   57 o  119.849   7.7770   40.187   4.9569   32.781   7.1081   47.198   6.9160  108.682   12.104  131.015   9.7688 -22.33384 15.55395 
1 1 1    5    3   58 o  170.148   6.1622   79.195   5.6513   83.099   8.3599   75.910   7.6689  173.940   8.8943  166.355   8.5312 7.585938 12.32440 
1 1 1    5    3   59 f  163.299   6.3569   73.319   5.5989   74.039   8.1884   72.688   7.6729  163.968   9.2417  162.630   8.7311 1.337296 12.71382 
1 1 1    5    3   60 o  215.397   7.7984  129.489   9.0505  140.023   12.768  118.851   12.831  224.508   10.524  206.286   11.511 18.22220 15.59681 
1 1 1    5    3   61 o   61.064   15.335   10.440   6.4485   7.3198   8.9226   13.851   9.3300   54.997   21.213   67.131   22.152 -12.13377 30.67081 
1 1 1    5    3   62 o  119.392   10.050   40.336   6.2113   39.130   7.7088   42.568   10.487  117.805   12.110  120.978   16.042 -3.172852 20.09970 
1 1 1    5    3   63 f   74.204   14.926   16.342   6.0958   12.536   7.5255   23.604   10.396   63.434   19.798   84.975   22.343 -21.54147 29.85220 
1 1 1    5    3   64 o  190.970   9.5289  103.581   9.7253  115.450   15.167   95.293   12.674  199.594   14.063  182.346   12.862 17.24831 19.05775 
1 1 1    5    3   65 o  161.516   10.904   79.675   9.2126   61.667   13.462   95.541   12.635  141.599   17.593  181.433   12.888 -39.83372 21.80858 
1 1 1    5    3   66 o  170.445   10.798   82.216   9.9456   82.216   9.9456   0.0000   0.0000  170.445   10.798  ?   ?       ?      ? 
1 1 1    5    3   67 o  118.745   9.9224   43.041   6.3228   39.006   9.1123   46.788   8.7805  112.409   15.002  125.080   12.991 -12.67055 19.84478 
1 1 1    5    3   68 o   61.171   14.890   12.884   5.9380   13.383   8.8816   12.481   7.9850   61.934   21.599   60.408   20.502 1.526299 29.78028 
1 1 1    5    3   69 o   95.456   12.441   30.894   6.1808   25.777   9.0056   35.450   8.4983   84.724   19.993  106.188   14.810 -21.46429 24.88104 
1 1 1    5    4    0 o  712.189   12.345  1371.39   47.511   0.0000   0.0000  1371.39   47.511  ?   ?   712.189   12.345      ?      ? 
1 1 1    5    4    1 o  384.327   5.1997  398.843   10.793  389.483   14.960  408.999   15.585  379.630   7.2928  389.023   7.4136 -9.393402 10.39940 
1 1 1    5    4    5 o  623.837   10.938  1052.01   36.873   0.0000   0.0000  1052.01   36.873  ?   ?   623.837   10.938      ?      ? 
1 1 1    5    4    6 o  1150.05   16.862  3576.88   98.543  3594.59  171.722  3568.18  120.327  1151.74   27.592  1148.36   19.391 3.382324 33.72425 
1 1 1    5    4    8 o  1676.12   28.114  7612.46  254.631   0.0000   0.0000  7612.46  254.631  ?   ?   1676.12   28.114      ?      ? 
1 1 1    5    4   10 o  652.327   11.381  1150.30   40.119   0.0000   0.0000  1150.30   40.119  ?   ?   652.327   11.381      ?      ? 
1 1 1    5    4   11 o  356.851   6.9406  344.132   13.383   0.0000   0.0000  344.132   13.383  ?   ?   356.851   6.9406      ?      ? 
1 1 1    5    4   12 o  1185.18   14.154  3800.33   90.604  3734.04  125.803  3871.78  130.598  1174.47   19.823  1195.89   20.210 -21.41882 28.30842 
1 1 1    5    4   13 o  849.087   10.278  1949.96   47.154  1942.96   66.439  1957.06   66.936  847.555   14.507  850.620   14.562 -3.065002 20.55505 
1 1 1    5    4   14 o  398.728   5.3400  429.392   11.501  419.560   15.992  439.927   16.553  394.004   7.5111  403.453   7.5925 -9.448914 10.68000 
1 1 1    5    4   15 o  699.541   8.5888  1322.67   32.451  1297.64   45.054  1349.65   46.779  692.675   12.037  706.406   12.255 -13.73132 17.17757 
1 1 1    5    4   16 o  714.854   8.7708  1382.70   33.880  1380.20   47.864  1385.20   47.964  714.208   12.402  715.500   12.405 -1.291992 17.54165 
1 1 1    5    4   17 o  694.127   8.5393  1303.72   32.027  1311.60   45.589  1296.04   45.004  696.195   12.118  692.060   12.034 4.134460 17.07853 
1 1 1    5    4   18 o   76.858   4.4741   15.984   1.8522   14.397   2.6006   17.619   2.6387   72.979   6.5945   80.737   6.0483 -7.758247 8.948180 
1 1 1    5    4   19 o  445.374   5.8530  536.304   14.085  531.474   19.777  541.274   20.065  443.341   8.2551  447.407   8.2995 -4.066803 11.70590 
1 1 1    5    4   20 o  682.484   8.4293  1260.54   31.084  1249.64   43.607  1271.80   44.320  679.489   11.876  685.478   11.965 -5.988892 16.85867 
1 1 1    5    4   21 o  440.875   5.8270  525.630   13.882  525.748   19.665  525.511   19.599  440.924   8.2535  440.826   8.2276 0.9808350E-01 11.65392 
1 1 1    5    4   22 o  376.962   5.1992  384.179   10.590  380.409   14.856  388.073   15.099  375.083   7.3297  378.841   7.3759 -3.758087 10.39846 
1 1 1    5    4   23 o  504.544   6.5043  688.407   17.729  678.243   24.762  699.099   25.396  500.727   9.1517  508.361   9.2451 -7.634094 13.00865 
1 1 1    5    4   24 o  276.562   4.3733  206.739   6.5353  203.906   9.1949  209.630   9.2905  274.647   6.1956  278.476   6.1740 -3.828522 8.746638 
1 1 1    5    4   25 f  836.247   10.187  1894.40   46.031  1885.25   64.802  1903.71   65.398  834.215   14.376  838.279   14.437 -4.064880 20.37389 
1 1 1    5    4   26 o  282.228   4.5013  215.194   6.8630  209.494   9.5820  221.198   9.8344  278.392   6.3696  286.063   6.3620 -7.670898 9.002625 
1 1 1    5    4   27 o  904.786   10.976  2217.30   53.665  2208.64   75.617  2226.08   76.173  903.010   15.497  906.561   15.550 -3.550842 21.95297 
1 1 1    5    4   28 o  571.451   7.2724  882.943   22.451  894.826   32.184  871.679   31.335  575.191   10.355  567.711   10.214 7.479919 14.54479 
1 1 1    5    4   29 o  1055.18   15.627  2996.72   83.043  3087.84  148.098  2954.93  100.293  1066.00   25.710  1044.36   17.772 21.64111 31.25447 
1 1 1    5    4   30 o  1135.03   19.289  3499.86  118.277  3454.96  165.030  3547.30  169.603  1127.59   27.085  1142.47   27.473 -14.87573 38.57872 
1 1 1    5    4   31 o  310.850   9.4294  261.261   15.839  261.261   15.839   0.0000   0.0000  310.850   9.4294  ?   ?       ?      ? 
1 1 1    5    4   32 o  422.295   7.2871  485.583   15.667  472.297   26.976  492.345   19.246  417.839   11.948  426.750   8.3460 -8.911652 14.57415 
1 1 1    5    4   33 o  554.179   8.8336  830.305   24.769  832.658   43.508  829.176   30.128  554.626   14.517  553.732   10.069 0.8934937 17.66721 
1 1 1    5    4   34 o  765.760   9.4418  1586.18   39.054  1612.53   56.190  1561.55   54.318  771.899   13.471  759.622   13.233 12.27734 18.88358 
1 1 1    5    4   35 o  369.587   6.7988  369.432   12.743  369.462   15.538  369.369   22.268  369.672   7.7786  369.501   11.153 0.1713257 13.59756 
1 1 1    5    4   36 o  674.797   12.113  1234.02   44.155  1208.11   61.550  1261.49   63.380  667.513   17.064  682.081   17.196 -14.56854 24.22563 
1 1 1    5    4   37 o  558.397   14.647  844.594   44.196   0.0000   0.0000  844.594   44.196  ?   ?   558.397   14.647      ?      ? 
1 1 1    5    4   38 o  221.277   5.4617  132.205   6.5204  122.179   9.0512  143.021   9.4013  212.565   7.8800  229.989   7.5647 -17.42462 10.92338 
1 1 1    5    4   39 o  465.423   7.8247  583.766   18.628  578.629   22.860  593.919   32.135  462.512   9.1466  468.335   12.698 -5.823059 15.64935 
1 1 1    5    4   40 o  706.832   8.8816  1352.98   33.917  1367.88   48.535  1338.77   47.415  710.622   12.640  703.043   12.481 7.578918 17.76313 
1 1 1    5    4   41 o  414.108   6.0421  463.952   13.520  460.212   19.141  467.677   19.100  412.439   8.5884  415.776   8.5011 -3.336884 12.08425 
1 1 1    5    4   42 o  656.755   8.3618  1165.69   29.613  1214.25   43.613  1124.16   40.336  669.373   12.058  644.136   11.589 25.23669 16.72369 
1 1 1    5    4   43 o  628.162   8.0511  1069.38   27.321  1083.05   39.204  1056.46   38.094  632.047   11.479  624.276   11.293 7.771484 16.10226 
1 1 1    5    4   44 o  657.748   8.3608  1172.70   29.698  1196.61   42.910  1150.72   41.144  664.148   11.957  651.348   11.690 12.79950 16.72152 
1 1 1    5    4   45 o  304.481   5.4034  251.023   8.8884  248.052   12.650  253.921   12.492  302.693   7.7337  306.268   7.5482 -3.574554 10.80674 
1 1 1    5    4   46 o  610.430   7.8801  1009.81   25.950  1047.23   38.032  977.216   35.498  620.936   11.335  599.925   10.950 21.01074 15.76016 
1 1 1    5    4   47 o  517.840   6.9466  727.360   19.428  741.058   28.020  714.679   26.962  522.508   9.9241  513.171   9.7229 9.336487 13.89325 
1 1 1    5    4   48 o  343.071   5.5114  318.695   10.205  327.348   14.864  310.977   14.037  347.452   7.9166  338.690   7.6700 8.762177 11.02277 
1 1 1    5    4   49 o   98.971   8.5646   26.597   4.5693   28.417   6.7553   25.063   6.2037  102.067   12.248   95.874   11.975 6.193222 17.12916 
1 1 1    5    4   50 o  324.574   5.4554  285.712   9.5609  289.319   13.828  282.409   13.234  326.513   7.8375  322.635   7.5907 3.878723 10.91080 
1 1 1    5    4   51 o  219.332   5.3537  129.875   6.3249  140.384   9.4144  121.229   8.5391  227.360   7.6629  211.305   7.4785 16.05431 10.70737 
1 1 1    5    4   52 o  211.173   5.4022  121.095   6.1621  123.942   8.8645  118.432   8.5720  213.568   7.6812  208.779   7.5982 4.788467 10.80431 
1 1 1    5    4   53 o  250.742   5.2653  170.926   7.1319  165.762   10.074  176.115   10.098  246.923   7.5497  254.561   7.3414 -7.637726 10.53062 
1 1 1    5    4   54 o  183.640   5.7233   92.000   5.6626   83.292   7.9570  100.935   8.0602  174.761   8.4258  192.520   7.7479 -17.75819 11.44663 
1 1 1    5    4   55 o  226.417   5.3969  139.610   6.5993  141.536   9.5176  137.827   9.1584  227.896   7.7286  224.937   7.5348 2.958710 10.79373 
1 1 1    5    4   56 o  178.311   5.8860   86.720   5.6650   90.881   8.2534   83.013   7.7897  182.335   8.3768  174.289   8.2711 8.045883 11.77208 
1 1 1    5    4   57 o  229.149   5.4865  143.017   6.7800  150.600   9.9818  136.523   9.2380  234.733   7.8695  223.565   7.6469 11.16751 10.97291 
1 1 1    5    4   58 o  100.337   9.0195   28.139   4.8453   33.323   7.0121   23.402   6.7030  109.409   11.861   91.266   13.592 18.14216 18.03901 
1 1 1    5    4   59 o  130.619   9.9801   48.321   7.0236   50.968   9.7745   45.495   10.099  134.592   13.440  126.645   14.758 7.947830 19.96018 
1 1 1    5    4   60 o   97.680   12.895   28.098   6.5474   16.171   8.7423   43.333   9.8806   72.205   21.088  123.156   14.847 -50.95057 25.79042 
1 1 1    5    4   61 o  125.807   9.2303   43.248   6.1214   37.872   7.6935   52.523   10.106  115.881   12.286  135.734   13.778 -19.85281 18.46053 
1 1 1    5    4   62 o  133.478   7.5761   49.812   5.4480   45.083   7.6416   54.700   7.7692  126.849   11.148  140.107   10.262 -13.25741 15.15226 
1 1 1    5    4   63 o  154.523   7.1380   66.562   5.9494   71.988   8.6963   61.787   8.1570  160.456   10.030  148.589   10.159 11.86746 14.27596 
1 1 1    5    4   64 o  120.388   13.952   47.159   8.4069   34.910   12.717   56.667   11.204  101.804   23.581  138.973   14.920 -37.16933 27.90433 
1 1 1    5    4   65 f  121.260   13.305   45.393   8.6025   48.716   13.437   43.086   11.198  123.863   20.076  118.657   17.465 5.206642 26.60942 
1 1 1    5    4   66 o   59.934   14.259   10.904   5.9097   4.5402   8.6527   16.468   8.0906   48.854   20.179   71.015   20.150 -22.16031 28.51710 
1 1 1    5    4   67 o   93.560   11.822   28.062   5.8230   32.585   8.6549   24.322   7.8708  101.658   15.755   85.462   17.629 16.19607 23.64326 
1 1 1    5    4   68 o  113.970   10.108   39.386   6.1802   38.690   9.2269   39.952   8.3230  112.242   15.213  115.697   13.313 -3.455429 20.21538 
1 1 1    5    5    1 o  1725.67   20.483  8071.59  190.962  7976.07  266.762  8171.98  273.487  1715.24   28.781  1736.10   29.152 -20.86047 40.96621 
1 1 1    5    5    4 o  1357.37   16.160  4985.83  118.494  4915.42  165.081  5060.66  170.187  1347.51   22.671  1367.23   23.035 -19.72107 32.32064 
1 1 1    5    5    5 o  849.282   14.548  1950.29   66.763   0.0000   0.0000  1950.29   66.763  ?   ?   849.282   14.548      ?      ? 
1 1 1    5    5    6 o  1095.54   16.001  3274.18   90.446  3162.16  151.175  3336.63  112.876  1080.52   25.892  1110.56   18.809 -30.05005 32.00261 
1 1 1    5    5    7 o  1081.25   12.953  3162.66   75.679  3166.60  107.200  3158.75  106.853  1081.92   18.336  1080.58   18.300 1.340576 25.90542 
1 1 1    5    5   10 o  661.512   8.1762  1182.63   29.218  1199.31   41.933  1166.90   40.734  666.038   11.651  656.985   11.474 9.053040 16.35236 
1 1 1    5    5   12 o  517.930   6.6042  724.865   18.478  734.713   26.500  715.545   25.779  521.351   9.4066  514.509   9.2724 6.842102 13.20838 
1 1 1    5    5   13 o  857.505   10.390  1989.08   48.144  1986.09   68.032  1992.08   68.139  856.858   14.693  858.151   14.694 -1.292969 20.77994 
1 1 1    5    5   14 o  560.450   7.0743  849.112   21.421  856.975   30.611  841.565   29.987  562.990   10.062  557.909   9.9467 5.080017 14.14853 
1 1 1    5    5   15 f  652.414   8.0817  1151.24   28.487  1162.19   40.709  1140.73   39.878  655.449   11.494  649.379   11.364 6.070068 16.16335 
1 1 1    5    5   16 o  586.061   10.414  929.064   32.979   0.0000   0.0000  929.064   32.979  ?   ?   586.061   10.414      ?      ? 
1 1 1    5    5   17 o  225.456   3.9260  137.191   4.7793  130.499   6.6272  144.443   6.8990  219.735   5.5814  231.178   5.5227 -11.44322 7.851910 
1 1 1    5    5   18 o  1074.47   12.912  3130.44   74.951  3089.72  104.606  3173.40  107.444  1067.33   18.137  1081.62   18.383 -14.29919 25.82430 
1 1 1    5    5   19 o  799.910   9.7555  1731.69   42.146  1699.04   58.482  1766.97   60.792  792.089   13.663  807.731   13.928 -15.64197 19.51098 
1 1 1    5    5   20 o  810.330   9.8760  1778.47   43.242  1766.09   60.741  1791.19   61.574  807.478   13.921  813.181   14.013 -5.702881 19.75202 
1 1 1    5    5   21 o  421.304   5.6538  479.711   12.867  469.521   17.905  490.592   18.502  416.682   7.9520  425.925   8.0391 -9.242950 11.30755 
1 1 1    5    5   22 o  351.542   5.0012  334.073   9.4988  337.820   13.582  330.485   13.289  353.470   7.1110  349.614   7.0343 3.855652 10.00236 
1 1 1    5    5   23 o  509.057   6.5672  700.660   18.059  689.144   25.160  712.899   25.937  504.748   9.2245  513.365   9.3498 -8.617645 13.13438 
1 1 1    5    5   24 o  964.666   11.663  2523.00   60.792  2504.44   85.374  2542.09   86.585  961.079   16.439  968.253   16.549 -7.174500 23.32610 
1 1 1    5    5   25 o  247.473   4.2768  165.515   5.7187  167.540   8.1535  163.554   8.0230  248.962   6.0607  245.984   6.0359 2.978683 8.553623 
1 1 1    5    5   26 o  142.579   4.3339   54.933   3.3375   55.386   4.8027   54.509   4.6414  143.147   6.2088  142.011   6.0483 1.136475 8.667873 
1 1 1    5    5   27 o  884.447   13.131  2125.47   59.436  2106.53  101.733  2135.28   73.234  880.949   21.371  887.944   15.263 -6.995056 26.26171 
1 1 1    5    5   28 o  569.458   10.151  877.806   31.236  880.405   44.256  875.225   44.092  570.297   14.361  568.618   14.350 1.679443 20.30186 
1 1 1    5    5   29 o  366.758   7.2732  363.235   14.403  376.577   20.881  351.126   19.893  373.171   10.355  360.345   10.216 12.82651 14.54635 
1 1 1    5    5   30 o  891.847   15.346  2152.95   73.958  2152.95   73.958   0.0000   0.0000  891.847   15.346  ?   ?       ?      ? 
1 1 1    5    5   31 o  843.147   10.302  1924.08   46.936  1934.43   66.773  1913.98   65.989  845.383   14.617  840.912   14.522 4.471313 20.60466 
1 1 1    5    5   32 o  311.096   6.3273  261.307   9.8279  262.613   17.707  260.725   11.815  311.615   10.516  310.576   7.0400 1.038605 12.65470 
1 1 1    5    5   33 f  938.325   11.393  2384.18   57.766  2369.34   81.183  2399.40   82.213  935.375   16.062  941.275   16.163 -5.900574 22.78676 
1 1 1    5    5   34 o  600.657   7.6626  975.896   24.871  972.361   35.100  979.461   35.246  599.564   10.834  601.749   10.839 -2.184814 15.32524 
1 1 1    5    5   35 o  748.967   11.408  1529.12   43.897  1549.88   54.441  1490.54   74.218  756.629   13.315  741.305   18.528 15.32416 22.81628 
1 1 1    5    5   36 o  814.752   14.319  1802.36   63.035  1810.58   89.771  1794.37   88.532  816.565   20.345  812.939   20.154 3.626831 28.63718 
1 1 1    5    5   37 o  433.277   9.0853  505.271   21.147  534.459   32.007  482.658   28.172  444.285   13.332  422.270   12.346 22.01492 18.17069 
1 1 1    5    5   38 o  687.244   10.529  1280.90   36.998  1277.03   63.542  1282.89   45.508  686.118   17.138  688.369   12.234 -2.250916 21.05718 
1 1 1    5    5   39 o  544.841   8.7529  801.466   24.366  796.749   29.889  810.811   42.070  542.646   10.193  547.036   14.232 -4.390503 17.50588 
1 1 1    5    5   40 o  483.479   8.0128  633.428   19.885  634.424   24.558  631.531   33.885  484.202   9.3860  482.756   12.989 1.445404 16.02566 
1 1 1    5    5   41 o  527.466   7.0362  753.035   20.054  755.963   28.520  750.172   28.204  528.477   9.9870  526.455   9.9143 2.021240 14.07243 
1 1 1    5    5   42 o  711.911   8.9455  1374.42   34.412  1377.90   48.895  1371.02   48.438  712.794   12.695  711.029   12.607 1.764221 17.89105 
1 1 1    5    5   43 o  171.445   6.0641   79.905   5.5940   74.283   8.0960   85.042   7.7382  165.631   9.0457  177.259   8.0787 -11.62840 12.12813 
1 1 1    5    5   44 o  603.656   7.8126  987.975   25.480  995.821   36.440  980.469   35.641  605.985   11.128  601.327   10.969 4.657593 15.62528 
1 1 1    5    5   45 o  650.110   8.2967  1146.78   29.127  1170.95   42.120  1124.62   40.321  656.633   11.871  643.588   11.594 13.04437 16.59339 
1 1 1    5    5   46 o  394.907   5.9043  421.852   12.582  436.698   18.383  408.766   17.258  401.414   8.4750  388.399   8.2231 13.01492 11.80867 
1 1 1    5    5   47 o  288.848   5.3168  226.026   8.2938  226.915   11.946  225.199   11.524  289.383   7.6396  288.313   7.3967 1.070251 10.63365 
1 1 1    5    5   48 o  193.388   5.5465  101.153   5.7870  106.325   8.4808   96.646   7.9164  197.994   7.9268  188.782   7.7603 9.211975 11.09310 
1 1 1    5    5   49 o  188.446   5.5831   95.994   5.6698  100.785   8.4008   91.985   7.6837  192.733   8.0664  184.160   7.7213 8.573517 11.16623 
1 1 1    5    5   50 f  246.822   5.2524  164.922   6.9957  172.358   10.226  158.380   9.5913  252.029   7.5088  241.616   7.3462 10.41304 10.50474 
1 1 1    5    5   51 o  221.437   5.3254  132.945   6.3658  138.186   9.2606  128.251   8.7650  225.557   7.5979  217.317   7.4640 8.239578 10.65083 
1 1 1    5    5   52 o  195.743   5.5775  103.801   5.8862  109.509   8.6885   98.958   8.0024  200.680   8.0122  190.805   7.7614 9.874969 11.15505 
1 1 1    5    5   53 o  159.786   6.1690   69.561   5.3137   69.993   7.7997   69.188   7.2588  160.202   9.0100  159.370   8.4289 0.8316498 12.33802 
1 1 1    5    5   54 o  176.906   5.8341   85.357   5.5750   84.599   7.9715   86.082   7.7999  176.113   8.3764  177.700   8.1229 -1.587341 11.66818 
1 1 1    5    5   55 o   98.036   9.7001   28.189   4.6546   16.642   6.5715   39.814   6.5936   75.596   16.546  120.475   10.128 -44.87923 19.40017 
1 1 1    5    5   56 o  409.451   6.0917  458.911   13.477  455.344   19.117  462.436   19.003  407.832   8.6747  411.070   8.5549 -3.237335 12.18342 
1 1 1    5    5   57 o  108.373   8.3646   32.672   4.8665   31.757   7.2458   33.423   6.5686  106.808   12.554  109.938   11.057 -3.130424 16.72929 
1 1 1    5    5   58 o  189.891   7.9582   99.918   8.1556   93.649   11.247  106.869   11.843  183.586   11.338  196.196   11.171 -12.61008 15.91643 
1 1 1    5    5   59 o  141.375   9.2399   56.190   7.0565   57.838   9.9902   54.550   9.9686  143.521   12.882  139.229   13.250 4.292023 18.47981 
1 1 1    5    5   60 o  121.990   9.4816   43.474   5.9242   47.343   7.5186   37.140   9.6211  130.404   10.670  113.575   15.677 16.82978 18.96325 
1 1 1    5    5   61 o   49.655   13.168   6.0492   4.8388   4.1440   7.0528   7.7435   6.6511   46.462   18.573   52.847   18.672 -6.385376 26.33592 
1 1 1    5    5   62 o   59.105   13.595   10.253   4.9947   12.747   7.4541   8.2202   6.7287   64.315   19.643   53.896   18.800 10.41868 27.18956 
1 1 1    5    5   63 o  289.147   5.7371  231.016   8.9574  233.633   12.945  228.612   12.408  290.611   8.2432  287.682   7.9816 2.929810 11.47418 
1 1 1    5    5   64 o  138.474   12.354   58.818   9.0994   55.315   13.805   61.509   12.100  133.191   19.181  143.756   15.577 -10.56450 24.70893 
1 1 1    5    5   65 o  195.161   10.248  112.812   10.607  106.914   16.329  117.117   13.951  188.991   15.990  201.332   12.823 -12.34166 20.49643 
1 1 1    5    5   66 o  121.932   13.387   46.067   7.5155   48.176   14.504   45.292   8.7873  118.977   23.393  124.887   13.021 -5.909492 26.77313 
1 1 1    5    5   67 o  157.970   7.7048   72.910   6.5497   70.823   9.6077   74.723   8.9524  155.245   11.453  160.695   10.310 -5.449860 15.40970 
1 1 1    5    5   68 o  121.415   9.6311   45.315   6.1661   36.889   9.0126   52.729   8.4545  108.900   15.315  133.931   11.682 -25.03045 19.26222 
1 1 1    5    6    0 o  662.784   8.2132  1186.72   29.401  1209.68   42.383  1165.43   40.820  668.955   11.725  656.613   11.505 12.34241 16.42649 
1 1 1    5    6    2 o  1080.61   12.957  3158.76   75.655  3144.90  106.526  3172.86  107.464  1078.22   18.283  1083.00   18.363 -4.776978 25.91306 
1 1 1    5    6    5 o  405.998   7.7214  445.457   16.940   0.0000   0.0000  445.457   16.940  ?   ?   405.998   7.7214      ?      ? 
1 1 1    5    6    6 o  1645.38   23.937  7364.22  201.310  7297.30  345.417  7398.65  247.731  1638.48   39.014  1652.28   27.747 -13.79919 47.87411 
1 1 1    5    6    7 o  252.604   4.2209  171.228   5.7395  186.690   8.5848  158.731   7.7181  262.844   6.0443  242.365   5.8932 20.47850 8.441747 
1 1 1    5    6   11 o  833.321   14.324  1878.25   64.500   0.0000   0.0000  1878.25   64.500  ?   ?   833.321   14.324      ?      ? 
1 1 1    5    6   13 o  532.330   6.7993  766.046   19.555  773.829   27.953  758.586   27.367  534.976   9.6697  529.685   9.5613 5.291138 13.59855 
1 1 1    5    6   14 o  531.911   9.5902  765.125   27.565   0.0000   0.0000  765.125   27.565  ?   ?   531.911   9.5902      ?      ? 
1 1 1    5    6   15 o  119.295   5.4446   38.463   3.5098   0.0000   0.0000   38.463   3.5098  ?   ?   119.295   5.4446      ?      ? 
1 1 1    5    6   16 o  480.222   6.2420  623.559   16.197  617.627   22.764  629.641   23.051  477.910   8.8147  482.534   8.8404 -4.624512 12.48403 
1 1 1    5    6   17 o  684.046   8.4716  1265.88   31.306  1246.22   43.661  1286.67   44.911  678.592   11.907  689.500   12.054 -10.90839 16.94328 
1 1 1    5    6   18 o  382.213   5.2724  394.972   10.889  395.002   15.455  394.942   15.344  382.226   7.4827  382.199   7.4297 0.2703857E-01 10.54472 
1 1 1    5    6   19 f  577.859   7.2976  902.912   22.778  885.733   31.667  921.328   32.788  572.173   10.242  583.545   10.398 -11.37170 14.59523 
1 1 1    5    6   20 o  685.224   8.4796  1271.09   31.397  1264.60   44.200  1277.71   44.606  683.460   11.968  686.987   12.016 -3.526917 16.95915 
1 1 1    5    6   21 o  260.659   4.3144  183.678   6.0767  182.848   8.6194  184.497   8.5682  260.073   6.1333  261.245   6.0695 -1.171783 8.628835 
1 1 1    5    6   22 o  209.773   4.0567  118.947   4.5983  117.524   6.4937  120.378   6.5123  208.514   5.7633  211.031   5.7108 -2.517670 8.113494 
1 1 1    5    6   23 o  518.341   6.6899  725.912   18.723  706.563   25.848  747.269   27.156  511.089   9.3593  525.592   9.5616 -14.50272 13.37984 
1 1 1    5    6   24 o  410.670   5.6111  456.023   12.452  455.727   17.636  456.318   17.582  410.537   7.9499  410.804   7.9206 -0.2673950 11.22212 
1 1 1    5    6   25 o  713.748   8.8286  1378.74   34.050  1381.24   48.304  1376.28   48.006  714.387   12.513  713.108   12.458 1.278564 17.65720 
1 1 1    5    6   26 o  205.165   5.4896  113.287   6.0713  103.716   8.2920  124.347   8.9139  195.865   7.8346  214.465   7.6917 -18.59972 10.97921 
1 1 1    5    6   27 o  806.236   13.896  1762.59   60.536  1752.03   85.081  1773.42   86.152  803.799   19.588  808.673   19.715 -4.874084 27.79192 
1 1 1    5    6   28 o  489.501   8.9528  647.301   23.656  628.378   32.555  668.468   34.433  481.942   12.501  497.061   12.820 -15.11914 17.90559 
1 1 1    5    6   29 o  1278.63   18.771  4454.98  122.793  4484.22  151.338  4398.65  210.078  1285.93   21.779  1271.34   30.580 14.59131 37.54258 
1 1 1    5    6   30 o  400.229   8.0463  433.018   17.402  433.018   17.402   0.0000   0.0000  400.229   8.0463  ?   ?       ?      ? 
1 1 1    5    6   31 o  1215.41   17.971  3996.22  110.396  4063.06  194.884  3964.63  133.962  1221.67   29.521  1209.14   20.503 12.52515 35.94268 
1 1 1    5    6   32 o  328.451   5.1534  291.195   9.1399  279.176   12.651  304.318   13.219  321.372   7.2851  335.531   7.2908 -14.15927 10.30673 
1 1 1    5    6   33 o  1500.06   17.926  6115.37  145.297  6076.30  204.174  6155.46  206.813  1495.23   25.270  1504.89   25.432 -9.651855 35.85213 
1 1 1    5    6   34 o  554.203   7.2045  830.679   21.574  836.418   30.740  825.109   30.285  556.087   10.230  552.320   10.147 3.767090 14.40906 
1 1 1    5    6   35 o  1095.66   18.866  3271.36  111.697  3277.03  158.454  3265.77  157.477  1096.59   26.741  1094.74   26.621 1.843750 37.73228 
1 1 1    5    6   36 o  445.588   9.0905  537.428   21.881  540.090   31.386  534.910   30.521  446.651   13.004  444.524   12.706 2.126984 18.18100 
1 1 1    5    6   37 o  160.959   9.9879   69.871   8.6634   77.477   12.696   63.243   11.851  169.127   13.892  152.790   14.354 16.33682 19.97581 
1 1 1    5    6   38 o  570.671   9.0420  880.451   26.409  886.261   45.383  877.476   32.473  571.889   14.686  569.453   10.553 2.436035 18.08406 
1 1 1    5    6   39 o  583.991   9.2426  916.308   27.376  945.721   48.192  902.294   33.265  590.597   15.101  577.385   10.662 13.21222 18.48524 
1 1 1    5    6   40 o  432.686   7.4496  507.340   16.643  508.521   20.698  505.180   27.995  433.528   8.8355  431.844   11.997 1.684509 14.89920 
1 1 1    5    6   41 o  684.723   8.6599  1269.68   32.025  1295.05   46.192  1246.20   44.439  691.285   12.366  678.161   12.127 13.12372 17.31973 
1 1 1    5    6   42 o  253.973   5.3855  174.376   7.3810  162.008   10.282  187.524   10.601  244.683   7.7768  263.264   7.4522 -18.58104 10.77099 
1 1 1    5    6   43 o  337.340   5.5648  307.465   10.129  317.397   14.809  298.733   13.885  342.441   8.0030  332.239   7.7343 10.20175 11.12958 
1 1 1    5    6   44 o  503.678   6.8369  687.491   18.608  687.578   26.404  687.405   26.227  503.705   9.7008  503.651   9.6369 0.5361938E-01 13.67388 
1 1 1    5    6   45 o  239.920   5.3282  155.718   6.9025  159.635   9.9988  152.152   9.5406  242.794   7.6211  237.047   7.4482 5.747147 10.65635 
1 1 1    5    6   46 o  405.799   5.9567  445.640   13.047  460.658   19.010  432.269   17.938  412.234   8.5342  399.363   8.3124 12.87079 11.91337 
1 1 1    5    6   47 o  277.026   5.2999  207.994   7.9325  203.757   11.216  212.234   11.220  274.194   7.5701  279.857   7.4197 -5.662781 10.59988 
1 1 1    5    6   48 f  117.227   7.4600   37.289   4.7188   39.569   6.8950   35.279   6.4720  120.586   10.581  113.867   10.519 6.719582 14.92001 
1 1 1    5    6   49 o  346.221   5.5751  324.814   10.422  335.533   15.111  315.090   14.393  351.649   7.9525  340.793   7.8158 10.85562 11.15028 
1 1 1    5    6   50 o  260.328   5.3042  183.104   7.4402  195.151   11.045  173.096   10.067  268.111   7.6236  252.545   7.3770 15.56622 10.60843 
1 1 1    5    6   51 o  319.183   5.4490  276.622   9.3926  281.856   13.567  271.804   13.017  322.060   7.7956  316.306   7.6155 5.753723 10.89806 
1 1 1    5    6   52 o  217.309   5.3779  128.506   6.3076  123.086   9.0014  133.734   8.8412  212.763   7.8294  221.854   7.3749 -9.091339 10.75588 
1 1 1    5    6   53 o  204.696   5.5144  114.069   6.0939  114.035   8.8078  114.101   8.4402  204.633   7.9654  204.759   7.6282 -0.1260834 11.02890 
1 1 1    5    6   54 o  118.822   7.4630   38.585   4.7482   46.242   6.9521   31.890   6.5005  129.937   9.9014  107.707   11.169 22.23046 14.92603 
1 1 1    5    6   55 o  228.129   5.4429  141.919   6.7049  141.696   9.6594  142.127   9.3144  227.916   7.8431  228.342   7.5488 -0.4263000 10.88575 
1 1 1    5    6   56 o  178.485   6.0593   87.108   5.8361   89.503   8.5202   84.991   8.0104  180.751   8.7234  176.220   8.4122 4.530411 12.11867 
1 1 1    5    6   57 f   65.857   14.878   12.712   5.9787   13.885   8.6903   11.658   8.2381   68.267   21.269   63.447   20.810 4.820240 29.75622 
1 1 1    5    6   58 o  162.717   8.2562   73.723   7.2584   72.658   10.296   74.775   10.234  161.498   11.798  163.936   11.553 -2.437714 16.51245 
1 1 1    5    6   59 o   61.015   13.795   9.8073   5.3382   5.0005   6.9371   16.786   8.3587   48.183   18.671   73.847   20.312 -25.66457 27.58936 
1 1 1    5    6   60 o  243.574   5.6328  162.658   7.3991  169.968   10.889  156.389   10.085  248.569   8.1071  238.580   7.8224 9.989380 11.26564 
1 1 1    5    6   61 o  185.874   6.2165   95.371   6.2343   97.821   9.1148   93.218   8.5459  188.027   8.9710  183.721   8.6082 4.306564 12.43299 
1 1 1    5    6   62 o  418.855   6.3732  486.039   14.413  494.894   20.879  477.979   19.921  422.334   9.1490  415.375   8.8751 6.958649 12.74642 
1 1 1    5    6   63 o  186.441   6.4369   96.323   6.4732  103.074   9.4990   90.469   8.8451  192.502   9.1317  180.380   9.0746 12.12190 12.87386 
1 1 1    5    6   64 o  178.719   10.436   95.114   10.014   88.243   14.586  101.239   13.772  171.497   15.740  185.941   13.706 -14.44374 20.87133 
1 1 1    5    6   65 o  162.384   11.462   79.612   9.9393   70.608   14.523   87.545   13.632  152.189   17.659  172.579   14.618 -20.38986 22.92474 
1 1 1    5    6   66 o  222.182   8.4383  143.047   9.1473  142.883   16.939  143.114   10.868  218.756   14.330  225.608   8.9148 -6.851746 16.87670 
1 1 1    5    6   67 o   60.246   14.534   12.560   5.6915   11.595   8.3955   13.381   7.7420   58.340   20.939   62.152   20.163 -3.811581 29.06844 
1 1 1    5    6   68 f   43.767   12.770   1.9799   5.5720  -6.9110   8.0666   10.093   7.7058   33.311   15.920   54.224   19.972 -20.91345 25.54062 
1 1 1    5    7    4 o  559.079   10.072  844.892   30.427   0.0000   0.0000  844.892   30.427  ?   ?   559.079   10.072      ?      ? 
1 1 1    5    7    5 o  392.942   6.3463  417.251   13.475   0.0000   0.0000  417.251   13.475  ?   ?   392.942   6.3463      ?      ? 
1 1 1    5    7    6 o  859.258   14.744  1996.95   68.457   0.0000   0.0000  1996.95   68.457  ?   ?   859.258   14.744      ?      ? 
1 1 1    5    7    7 o  948.473   11.462  2433.35   58.734  2459.15   83.957  2408.62   82.195  953.389   16.297  943.558   16.121 9.831116 22.92308 
1 1 1    5    7    9 o  705.847   12.344  1347.20   47.082   0.0000   0.0000  1347.20   47.082  ?   ?   705.847   12.344      ?      ? 
1 1 1    5    7   10 o  733.126   9.0309  1453.53   35.776  1447.24   50.418  1459.91   50.773  731.529   12.755  734.723   12.789 -3.193176 18.06172 
1 1 1    5    7   11 o  278.368   4.4544  209.233   6.6956  214.200   9.6915  204.698   9.2611  281.524   6.3707  275.211   6.2275 6.313477 8.908809 
1 1 1    5    7   12 o  791.806   9.6866  1696.87   41.445  1691.99   58.484  1701.80   58.741  790.663   13.689  792.949   13.709 -2.285706 19.37318 
1 1 1    5    7   14 o  583.545   7.3724  920.788   23.240  934.295   33.367  908.063   32.388  587.695   10.507  579.396   10.345 8.298645 14.74476 
1 1 1    5    7   17 o  243.129   4.2156  159.735   5.5366  154.098   7.7645  165.566   7.8971  238.765   6.0181  247.493   5.9050 -8.727783 8.431226 
1 1 1    5    7   18 o  654.025   8.1692  1157.12   28.861  1136.07   40.168  1179.58   41.495  647.888   11.474  660.162   11.632 -12.27374 16.33845 
1 1 1    5    7   19 o  428.939   8.1816  497.577   18.964   0.0000   0.0000  497.577   18.964  ?   ?   428.939   8.1816      ?      ? 
1 1 1    5    7   21 o  459.218   6.0913  569.529   15.102  551.104   20.835  589.924   21.922  451.408   8.5417  467.029   8.6864 -15.62030 12.18252 
1 1 1    5    7   22 o  624.522   7.8424  1055.49   26.465  1055.59   37.497  1055.39   37.359  624.549   11.111  624.494   11.071 0.5456543E-01 15.68474 
1 1 1    5    7   23 o  510.285   8.0168  710.321   21.149  684.910   35.179  724.702   26.465  502.956   12.944  517.614   9.4619 -14.65781 16.03361 
1 1 1    5    7   24 o  388.661   7.4682  408.529   15.683  400.901   21.979  416.441   22.384  384.966   10.566  392.357   10.558 -7.390839 14.93642 
1 1 1    5    7   25 o  1013.75   17.297  2792.94   94.731  2756.76  132.245  2831.08  135.765  1007.04   24.302  1020.45   24.621 -13.40314 34.59467 
1 1 1    5    7   26 o  1069.42   18.221  3106.96  105.212  3038.29  145.402  3182.43  152.431  1057.11   25.454  1081.73   26.078 -24.61768 36.44122 
1 1 1    5    7   27 o  461.927   6.1973  576.631   15.465  566.181   21.563  587.701   22.192  457.621   8.7198  466.233   8.8086 -8.612274 12.39462 
1 1 1    5    7   28 o  676.508   10.461  1227.55   35.507  1209.20   42.730  1268.47   63.825  668.625   11.827  684.392   17.258 -15.76648 20.92167 
1 1 1    5    7   29 o  1161.28   17.222  3634.32  100.698  3588.46  121.634  3734.23  179.525  1150.70   19.562  1171.87   28.350 -21.17249 34.44425 
1 1 1    5    7   30 o  746.575   11.392  1511.91   43.270  1501.58   75.001  1517.07   52.975  744.375   18.646  748.775   13.093 -4.400757 22.78386 
1 1 1    5    7   31 o  877.450   13.140  2097.74   59.090  2050.68  100.486  2122.62   73.057  869.454   21.388  885.446   15.269 -15.99207 26.27914 
1 1 1    5    7   32 o  687.936   8.6208  1280.20   32.043  1290.45   45.747  1270.33   44.895  690.633   12.258  685.239   12.125 5.394226 17.24160 
1 1 1    5    7   33 o  186.489   5.1140   93.999   5.1530   95.601   7.3386   92.441   7.2374  188.056   7.2217  184.922   7.2428 3.133682 10.22794 
1 1 1    5    7   34 o  654.390   10.240  1156.32   33.904  1149.88   41.197  1169.82   59.681  651.856   11.696  656.924   16.812 -5.068420 20.48036 
1 1 1    5    7   35 o  674.360   12.216  1233.08   44.513  1235.36   63.318  1230.86   62.591  674.964   17.360  673.756   17.192 1.208130 24.43242 
1 1 1    5    7   36 o  563.219   10.667  859.428   32.462  862.387   46.156  856.531   45.664  564.173   15.140  562.266   15.029 1.907166 21.33324 
1 1 1    5    7   37 o  511.938   8.6035  715.700   22.413  690.991   38.549  728.318   27.548  505.024   14.126  518.852   9.8256 -13.82785 17.20697 
1 1 1    5    7   38 o  745.773   9.3249  1506.37   37.578  1507.52   53.302  1505.24   52.986  746.051   13.222  745.495   13.153 0.5558472 18.64984 
1 1 1    5    7   39 o  803.258   12.187  1743.15   49.610  1779.05   87.218  1725.98   60.319  808.627   19.960  797.888   13.990 10.73938 24.37498 
1 1 1    5    7   40 o  794.693   9.8707  1712.13   42.382  1695.38   59.409  1729.48   60.481  790.748   13.904  798.638   14.015 -7.889343 19.74131 
1 1 1    5    7   41 o  429.130   7.4281  494.102   16.260  484.799   19.853  513.063   28.342  423.225   8.6808  435.035   12.056 -11.80954 14.85628 
1 1 1    5    7   42 o  655.448   8.3638  1165.06   29.623  1166.58   41.997  1163.56   41.789  655.868   11.850  655.027   11.806 0.8411255 16.72759 
1 1 1    5    7   43 o  254.161   5.3410  174.796   7.3337  169.706   10.303  180.023   10.441  250.408   7.6144  257.914   7.4917 -7.506577 10.68194 
1 1 1    5    7   44 o  204.647   5.6344  113.383   6.2275  108.377   8.7339  118.561   8.8819  200.046   8.0796  209.247   7.8552 -9.201385 11.26874 
1 1 1    5    7   45 o  348.986   5.5629  329.919   10.490  330.276   14.926  329.571   14.745  349.168   7.9108  348.805   7.8232 0.3625183 11.12576 
1 1 1    5    7   46 o   39.994   11.245  -1.6468   4.4089 -10.6224   6.3364   6.7774   6.1386   27.892   13.524   52.097   17.969 -24.20512 22.48936 
1 1 1    5    7   47 o  226.682   5.3944  139.297   6.6008  139.756   9.5631  138.879   9.1223  227.021   7.7955  226.342   7.4585 0.6788025 10.78887 
1 1 1    5    7   48 o  472.603   6.5585  606.463   16.739  615.912   24.165  597.747   23.209  476.106   9.3927  469.099   9.1561 7.007507 13.11704 
1 1 1    5    7   49 o  175.076   5.8666   83.287   5.5411   82.285   8.0414   84.194   7.6461  174.044   8.5503  176.107   8.0349 -2.062454 11.73313 
1 1 1    5    7   50 o  445.996   6.3686  541.341   15.348  537.545   21.733  545.117   21.678  444.421   9.0496  447.570   8.9632 -3.149750 12.73713 
1 1 1    5    7   51 o  169.710   5.9918   78.116   5.4824   85.870   7.9859   71.203   7.5399  177.673   8.3179  161.748   8.6266 15.92467 11.98355 
1 1 1    5    7   52 f  231.913   5.4020  146.296   6.7678  143.834   9.6303  148.697   9.5129  229.964   7.7498  233.863   7.5277 -3.899246 10.80399 
1 1 1    5    7   53 o  193.088   5.6833  101.804   5.9166   95.173   8.4352  108.226   8.3012  186.819   8.3557  199.356   7.7059 -12.53722 11.36661 
1 1 1    5    7   54 o  344.814   5.6262  323.775   10.470  332.055   15.265  316.419   14.387  348.916   8.0963  340.712   7.8145 8.203918 11.25244 
1 1 1    5    7   55 o  224.028   5.5174  136.856   6.6684  139.221   9.7447  134.774   9.1449  225.792   7.9868  222.264   7.6142 3.528000 11.03472 
1 1 1    5    7   56 f  372.005   8.0705  382.691   16.214  393.243   23.417  372.973   22.472  376.860   11.499  367.151   11.327 9.709137 16.14097 
1 1 1    5    7   57 o  200.085   7.4925  110.812   8.0977  107.680   11.475  113.919   11.429  197.190   10.769  202.980   10.420 -5.789597 14.98501 
1 1 1    5    7   58 o   73.305   11.650   16.011   4.8494   7.4548   6.8448   24.634   6.8714   53.076   18.921   93.533   13.596 -40.45602 23.29935 
1 1 1    5    7   59 o  188.816   6.1097   97.474   6.2109  108.558   9.2390   88.335   8.3894  198.551   8.6113  179.081   8.6695 19.46933 12.21942 
1 1 1    5    7   60 o  134.292   7.5841   50.834   5.4432   44.050   7.8853   57.008   7.5231  125.261   11.650  143.323   9.7139 -18.06229 15.16827 
1 1 1    5    7   61 o  137.227   7.5281   52.092   5.5528   59.942   8.2940   45.715   7.4754  146.580   10.471  127.873   10.818 18.70691 15.05614 
1 1 1    5    7   62 o  163.006   6.8515   74.248   6.0193   71.498   8.7243   76.746   8.3156  159.902   10.097  166.111   9.2642 -6.209351 13.70303 
1 1 1    5    7   63 f  168.366   6.9153   79.282   6.2774   79.978   9.2046   78.678   8.5830  168.871   10.087  167.861   9.4624 1.009308 13.83059 
1 1 1    5    7   64 o   70.778   15.522   14.584   8.6626  -6.5495   12.943   31.734   11.659   45.102   21.132   96.454   22.740 -51.35218 31.04347 
1 1 1    5    7   65 o  174.844   10.906   89.375   10.233  104.212   15.506   77.928   13.620  187.657   15.291  162.030   15.556 25.62762 21.81288 
1 1 1    5    7   66 o  110.341   13.864   39.624   7.2249   44.955   13.723   37.580   8.4978  109.679   23.836  111.004   14.167 -1.324760 27.72845 
1 1 1    5    7   67 o  152.339   11.402   67.404   9.3862   67.404   9.3862   0.0000   0.0000  152.339   11.402  ?   ?       ?      ? 
1 1 1    5    7   68 o   62.207   14.587   14.342   5.7003   15.191   8.4677   13.639   7.7086   63.434   21.112   60.981   20.136 2.452705 29.17477 
1 1 1    5    8    1 o  1879.13   31.603  9588.72  320.901   0.0000   0.0000  9588.72  320.901  ?   ?   1879.13   31.603      ?      ? 
1 1 1    5    8    4 o  1341.86   19.575  4904.73  134.792  4817.57  228.887  4951.00  166.779  1331.85   31.804  1351.87   22.831 -20.01941 39.14991 
1 1 1    5    8    5 o  1388.58   23.409  5224.40  175.649   0.0000   0.0000  5224.40  175.649  ?   ?   1388.58   23.409      ?      ? 
1 1 1    5    8    6 o  377.179   7.4412  384.488   15.166   0.0000   0.0000  384.488   15.166  ?   ?   377.179   7.4412      ?      ? 
1 1 1    5    8    7 o  1029.02   14.097  2935.97   70.671  2707.21  129.835  3032.28   84.244  999.312   24.044  1058.72   14.725 -59.40771 28.19471 
1 1 1    5    8    9 f  373.005   5.2925  375.417   10.655  389.276   15.540  363.124   14.636  379.488   7.5784  366.523   7.3900 12.96478 10.58504 
1 1 1    5    8   11 o  253.112   4.3942  173.159   6.0098  170.979   8.4729  175.366   8.5257  251.508   6.2344  254.716   6.1942 -3.207352 8.788394 
1 1 1    5    8   13 o  450.309   6.0265  548.241   14.663  552.964   20.940  543.698   20.538  452.210   8.5692  448.409   8.4762 3.800751 12.05306 
1 1 1    5    8   14 o  627.161   7.8775  1064.05   26.692  1074.91   38.179  1053.67   37.331  630.284   11.210  624.038   11.071 6.246582 15.75495 
1 1 1    5    8   15 o  291.654   6.4711  229.942   10.198   0.0000   0.0000  229.942   10.198  ?   ?   291.654   6.4711      ?      ? 
1 1 1    5    8   16 o  635.360   7.9935  1092.36   27.443  1082.56   38.579  1102.40   39.045  632.477   11.288  638.244   11.321 -5.766968 15.98709 
1 1 1    5    8   17 o  415.503   5.6664  466.861   12.722  465.590   18.026  468.124   17.958  414.939   8.0393  416.068   7.9876 -1.129791 11.33276 
1 1 1    5    8   18 o  456.004   6.0834  562.430   14.990  560.335   21.227  564.513   21.170  455.156   8.6308  456.853   8.5756 -1.696564 12.16676 
1 1 1    5    8   19 o  639.524   8.0163  1107.10   27.702  1103.29   39.128  1110.92   39.226  638.422   11.342  640.627   11.331 -2.204041 16.03255 
1 1 1    5    8   20 o  892.009   10.850  2156.67   52.296  2155.27   73.985  2158.06   73.932  891.718   15.354  892.300   15.333 -0.5816040 21.69921 
1 1 1    5    8   21 o  588.427   9.1601  924.848   27.070  971.847   48.761  903.910   32.546  598.858   15.068  577.995   10.420 20.86261 18.32028 
1 1 1    5    8   22 o  186.245   5.5364   93.910   5.5474   92.455   8.2063   95.135   7.5279  184.907   8.2130  187.583   7.4266 -2.675293 11.07285 
1 1 1    5    8   23 o  578.783   10.309  907.182   32.243  901.126   45.506  913.288   45.691  576.842   14.599  580.725   14.560 -3.883179 20.61894 
1 1 1    5    8   24 o  511.783   8.1053  704.332   21.164  695.761   25.884  721.622   36.762  507.226   9.4437  516.341   13.176 -9.115479 16.21056 
1 1 1    5    8   25 o  542.305   7.0140  795.357   20.554  792.325   29.064  798.391   29.071  541.270   9.9370  543.340   9.9015 -2.070007 14.02798 
1 1 1    5    8   26 o  354.802   5.2407  340.291   10.047  339.512   14.301  341.050   14.117  354.400   7.4677  355.204   7.3548 -0.8042603 10.48136 
1 1 1    5    8   27 o  1011.54   15.085  2758.20   76.987  2729.50   93.209  2819.82  136.567  1003.94   17.182  1019.14   24.799 -15.19568 30.16913 
1 1 1    5    8   28 o  698.719   10.828  1297.90   37.535  1263.50   44.644  1380.86   69.325  683.451   12.088  713.986   17.969 -30.53497 21.65645 
1 1 1    5    8   29 o  452.055   7.6942  551.875   17.525  554.955   31.053  550.435   21.229  452.897   12.689  451.214   8.7066 1.682617 15.38844 
1 1 1    5    8   30 o  675.254   10.414  1245.21   36.158  1198.20   60.827  1270.91   44.965  665.104   16.925  685.404   12.141 -20.30011 20.82888 
1 1 1    5    8   31 o  428.141   5.9955  495.576   13.871  494.223   19.606  496.932   19.626  427.556   8.4862  428.727   8.4716 -1.170990 11.99100 
1 1 1    5    8   32 o  129.917   6.0843   45.639   4.2674   45.710   5.9122   45.561   6.1658  130.025   8.4146  129.809   8.7902 0.2169037 12.16853 
1 1 1    5    8   33 o  459.764   6.3410  570.722   15.738  551.442   21.681  592.198   22.883  451.573   8.8851  467.955   9.0493 -16.38205 12.68204 
1 1 1    5    8   34 o  600.212   11.171  972.140   36.127  924.099   48.884  1029.95   53.627  583.977   15.491  616.446   16.099 -32.46893 22.34192 
1 1 1    5    8   35 o  1021.62   17.707  2840.37   97.730  2873.87  140.037  2808.56  136.455  1027.44   25.223  1015.81   24.859 11.63257 35.41461 
1 1 1    5    8   36 o  237.795   8.4715  153.065   10.884  156.757   15.460  149.437   15.325  240.641   11.889  234.949   12.071 5.692474 16.94306 
1 1 1    5    8   37 o  704.574   8.8836  1344.16   33.822  1343.60   47.951  1344.72   47.713  704.422   12.597  704.725   12.529 -0.3020630 17.76713 
1 1 1    5    8   38 o  753.130   9.4071  1536.57   38.277  1517.03   53.542  1557.01   54.743  748.242   13.242  758.018   13.365 -9.776001 18.81417 
1 1 1    5    8   39 o  429.787   6.2640  499.757   14.547  501.919   20.702  497.648   20.445  430.703   8.8949  428.871   8.8223 1.831757 12.52802 
1 1 1    5    8   40 o  257.886   6.4257  181.495   8.6338  174.189   14.088  185.890   10.926  253.633   10.279  262.139   7.7134 -8.505539 12.85141 
1 1 1    5    8   41 o  424.608   7.4053  482.753   16.042  471.478   19.569  505.856   28.011  417.327   8.6776  431.890   12.002 -14.56213 14.81063 
1 1 1    5    8   42 o  191.169   6.5572   96.696   6.5834   89.947   8.2603  108.446   10.900  182.278   8.3863  200.059   10.083 -17.78015 13.11445 
1 1 1    5    8   43 o   63.750   12.835   11.377   4.6344   11.627   6.4592   11.113   6.6532   64.331   17.917   63.169   18.382 1.161495 25.66935 
1 1 1    5    8   44 o  370.594   5.7512  372.047   11.517  369.747   16.259  374.363   16.316  369.443   8.1446  371.745   8.1223 -2.301941 11.50246 
1 1 1    5    8   45 o  541.593   7.2255  796.004   21.139  806.563   30.366  786.076   29.445  545.054   10.310  538.133   10.126 6.920654 14.45098 
1 1 1    5    8   46 o  331.641   5.5983  298.141   10.032  300.341   14.299  296.009   14.078  332.840   7.9503  330.441   7.8840 2.399567 11.19662 
1 1 1    5    8   47 o  650.200   8.3512  1152.33   29.339  1159.72   41.828  1145.17   41.163  652.226   11.868  648.175   11.752 4.050232 16.70242 
1 1 1    5    8   48 o  311.937   5.4187  263.778   9.1302  254.049   12.747  274.029   13.084  306.026   7.7081  317.847   7.6179 -11.82092 10.83733 
1 1 1    5    8   49 o  178.581   6.0245   86.722   5.8037   85.896   8.4351   87.464   7.9976  177.740   8.7825  179.422   8.2489 -1.681885 12.04894 
1 1 1    5    8   50 o  319.007   5.4626  276.471   9.4106  277.400   13.559  275.608   13.072  319.494   7.8535  318.520   7.5947 0.9739990 10.92510 
1 1 1    5    8   51 o  354.351   5.6602  341.341   10.832  345.765   15.629  337.252   15.025  356.528   8.1124  352.174   7.8955 4.353729 11.32034 
1 1 1    5    8   52 o   63.960   12.175   11.888   4.4380   7.9767   6.3953   15.522   6.1637   54.610   18.349   73.310   16.008 -18.70050 24.35033 
1 1 1    5    8   53 o  277.366   5.3761  209.315   8.0511  214.439   11.672  204.664   11.120  280.573   7.6984  274.159   7.5062 6.414032 10.75218 
1 1 1    5    8   54 o  216.645   6.4296  129.723   7.2793  123.018   11.739  133.912   9.2787  211.679   10.263  221.611   7.7483 -9.932465 12.85914 
1 1 1    5    8   55 o   46.977   13.615   2.8593   5.5397   1.3432   8.1524   4.1599   7.5509   45.486   19.240   48.467   19.268 -2.980320 27.22904 
1 1 1    5    8   56 o  158.467   8.2518   69.707   7.0241   60.293   9.7926   79.685   10.081  147.204   12.311  169.729   10.991 -22.52432 16.50361 
1 1 1    5    8   57 o  222.130   5.6964  135.015   6.8313  127.920   9.4572  142.757   9.8786  216.019   8.1018  228.240   8.0097 -12.22054 11.39271 
1 1 1    5    8   58 o  125.256   7.7006   43.896   5.1715   38.634   7.4272   48.849   7.2051  117.657   11.682  132.856   10.036 -15.19891 15.40127 
1 1 1    5    8   59 o  178.396   6.1640   87.697   5.9297   88.620   8.6888   86.892   8.1124  179.167   8.9746  177.626   8.4520 1.540955 12.32800 
1 1 1    5    8   60 o  183.468   6.2248   93.336   6.1506   86.820   8.8314   99.473   8.5710  177.023   9.2323  189.912   8.3520 -12.88931 12.44955 
1 1 1    5    8   61 o  113.958   9.1671   37.980   5.4560   30.150   8.2000   44.200   7.3085  102.230   14.844  125.685   10.761 -23.45415 18.33423 
1 1 1    5    8   62 o   90.781   11.153   24.396   5.2586   31.475   7.7462   18.345   7.1618  104.532   13.714   77.030   17.592 27.50176 22.30550 
1 1 1    5    8   63 o  114.710   9.1931   38.113   5.6904   37.907   8.2478   38.301   7.8610  114.194   13.366  115.225   12.625 -1.031342 18.38622 
1 1 1    5    8   64 o   72.069   18.168   18.073   8.8853   18.464   13.421   17.768   11.855   72.502   26.410   71.636   24.956 0.8667831 36.33600 
1 1 1    5    8   65 o  107.123   16.351   38.234   9.4414   52.027   14.238   27.410   12.613  127.168   20.720   87.078   25.301 40.08942 32.70283 
1 1 1    5    8   66 o   56.835   15.553   7.7083   6.6229   21.212   12.021   1.8236   7.9358   71.832   25.124   41.837   18.340 29.99438 31.10596 
1 1 1    5    8   67 o  104.114   10.512   33.450   5.9008   33.204   8.5960   33.670   8.1148  103.275   15.403  104.953   14.309 -1.678123 21.02363 
1 1 1    5    9    0 o  1065.27   12.838  3071.88   73.897  3085.23  104.977  3058.77  104.042  1067.56   18.197  1062.98   18.113 4.579834 25.67554 
1 1 1    5    9    3 o  255.112   6.5724  175.890   9.0604  175.890   9.0604   0.0000   0.0000  255.112   6.5724  ?   ?       ?      ? 
1 1 1    5    9    4 o  405.648   6.4174  444.425   12.309  445.721   24.250  443.975   14.286  405.988   11.054  405.308   6.5227 0.6807556 12.83486 
1 1 1    5    9    5 o  580.645   10.398  911.708   32.626   0.0000   0.0000  911.708   32.626  ?   ?   580.645   10.398      ?      ? 
1 1 1    5    9    6 o  571.918   10.261  884.578   31.710   0.0000   0.0000  884.578   31.710  ?   ?   571.918   10.261      ?      ? 
1 1 1    5    9    7 o  617.673   8.9504  1042.34   26.223  1011.71   50.977  1053.36   30.579  611.205   15.435  624.141   9.0668 -12.93555 17.90085 
1 1 1    5    9   10 o  494.977   6.5241  662.466   17.448  668.966   24.923  656.219   24.433  497.355   9.2736  492.599   9.1792 4.756531 13.04823 
1 1 1    5    9   11 o  349.440   5.1645  329.828   9.7475  319.816   13.546  340.578   14.037  343.945   7.2886  354.934   7.3188 -10.98801 10.32896 
1 1 1    5    9   12 o  904.977   11.010  2218.52   53.828  2244.65   77.077  2193.66   75.207  910.159   15.672  899.795   15.468 10.36407 22.01943 
1 1 1    5    9   13 o  466.164   8.7919  587.688   22.147   0.0000   0.0000  587.688   22.147  ?   ?   466.164   8.7919      ?      ? 
1 1 1    5    9   15 o  452.375   8.5702  553.451   20.950   0.0000   0.0000  553.451   20.950  ?   ?   452.375   8.5702      ?      ? 
1 1 1    5    9   16 o  832.943   14.448  1880.06   65.031   0.0000   0.0000  1880.06   65.031  ?   ?   832.943   14.448      ?      ? 
1 1 1    5    9   17 o  440.990   5.9791  525.932   14.246  528.868   20.353  523.113   19.946  442.193   8.5179  439.787   8.3930 2.405792 11.95815 
1 1 1    5    9   18 o  196.182   5.3440  105.922   5.3661   98.108   9.0182  110.205   6.6766  190.454   8.7628  201.910   6.1195 -11.45595 10.68802 
1 1 1    5    9   19 o  611.581   10.865  1013.15   35.894  992.342   49.956  1035.36   51.607  605.104   15.278  618.058   15.452 -12.95453 21.73014 
1 1 1    5    9   20 o  421.565   8.0396  480.919   18.309  482.883   26.236  479.054   25.562  422.396   11.495  420.733   11.243 1.662354 16.07924 
1 1 1    5    9   21 o  463.514   8.6180  581.248   21.574  588.964   31.108  574.099   29.944  466.466   12.341  460.563   12.032 5.903442 17.23600 
1 1 1    5    9   22 o  331.720   5.0825  297.137   9.1053  286.085   12.636  309.074   13.132  325.311   7.1880  338.129   7.1875 -12.81805 10.16496 
1 1 1    5    9   23 o  337.636   5.1286  308.044   9.3514  311.644   13.491  304.715   12.974  339.531   7.3529  335.741   7.1515 3.790833 10.25716 
1 1 1    5    9   24 o  470.987   6.3165  599.805   16.076  596.508   22.735  603.102   22.734  469.691   8.9576  472.282   8.9082 -2.591095 12.63306 
1 1 1    5    9   25 o  612.786   7.7952  1015.60   25.812  1008.76   36.429  1022.49   36.578  610.714   11.039  614.858   11.009 -4.143799 15.59048 
1 1 1    5    9   26 f  1154.31   13.887  3606.19   86.530  3512.68  119.186  3710.42  125.828  1138.55   19.372  1170.06   19.901 -31.51257 27.77325 
1 1 1    5    9   27 o  122.304   8.3361   39.344   4.8503   38.171   5.6102   42.815   9.6511  118.825   8.7374  125.783   14.199 -6.958344 16.67223 
1 1 1    5    9   28 f  899.682   13.538  2181.04   61.374  2229.28  109.143  2158.73   74.220  906.414   22.283  892.951   15.382 13.46246 27.07676 
1 1 1    5    9   29 f  1020.21   15.101  2848.07   79.480  2738.74  132.680  2909.26   99.259  1004.17   24.452  1036.25   17.726 -32.07385 30.20118 
1 1 1    5    9   30 o  122.035   6.4025   39.651   4.1894   45.957   6.4111   34.952   5.5346  130.372   9.1004  113.698   9.0084 16.67439 12.80496 
1 1 1    5    9   31 o  250.705   5.0115  169.937   6.7876  167.749   9.6642  172.068   9.5354  249.111   7.1793  252.300   6.9941 -3.189865 10.02301 
1 1 1    5    9   32 o  626.510   8.0304  1060.62   27.163  1029.88   37.473  1094.66   39.430  616.966   11.240  636.054   11.472 -19.08759 16.06083 
1 1 1    5    9   33 o  339.503   8.2595  311.539   15.143  323.874   21.893  300.225   20.967  345.936   11.711  333.070   11.650 12.86627 16.51894 
1 1 1    5    9   34 o  233.510   8.5729  147.440   10.812  151.982   15.602  143.243   14.996  236.965   12.184  230.055   12.063 6.909409 17.14576 
1 1 1    5    9   35 o  863.025   15.186  2023.75   70.792  2054.96  101.865  1994.59   98.453  869.407   21.683  856.643   21.269 12.76349 30.37261 
1 1 1    5    9   36 o  477.910   6.6506  617.862   17.174  612.538   24.315  623.162   24.261  475.852   9.4562  479.968   9.3542 -4.115448 13.30120 
1 1 1    5    9   37 o  665.068   8.4830  1197.52   30.481  1207.73   43.596  1187.75   42.632  667.830   12.081  662.305   11.912 5.525330 16.96597 
1 1 1    5    9   38 f  415.983   6.1402  468.138   13.801  461.721   19.438  474.663   19.600  413.106   8.7074  418.859   8.6596 -5.752625 12.28041 
1 1 1    5    9   39 o  694.086   8.8008  1305.42   33.007  1294.75   46.384  1316.37   46.979  691.216   12.418  696.955   12.474 -5.739014 17.60167 
1 1 1    5    9   40 o  174.319   7.4384   83.191   6.7010   79.302   11.119   85.409   8.3973  171.012   12.032  177.626   8.7487 -6.614426 14.87672 
1 1 1    5    9   41 o  138.928   7.9749   51.075   5.8292   57.703   9.6128   47.221   7.3309  145.844   12.198  132.012   10.277 13.83173 15.94972 
1 1 1    5    9   42 o  327.952   6.5584  291.163   11.222  290.604   14.131  292.117   18.463  327.639   7.9819  328.265   10.409 -0.6259460 13.11688 
1 1 1    5    9   43 o  602.217   9.5322  980.957   29.224  969.955   35.680  1003.38   50.937  597.791   11.046  606.643   15.539 -8.852417 19.06448 
1 1 1    5    9   44 o  186.666   5.9786   94.533   6.0228   92.102   8.6705   96.799   8.3723  184.327   8.7049  189.004   8.1976 -4.677124 11.95729 
1 1 1    5    9   45 o  280.639   5.4745  213.435   8.3018  213.082   11.777  213.784   11.704  280.405   7.7727  280.873   7.7115 -0.4681702 10.94904 
1 1 1    5    9   46 o   56.220   12.246   7.8514   4.6460   0.8319   6.7419   14.200   6.4115   41.953   17.607   70.486   17.025 -28.53298 24.49196 
1 1 1    5    9   47 o  280.226   5.4201  213.017   8.2048  206.892   11.605  219.139   11.602  276.182   7.7762  284.270   7.5526 -8.088409 10.84023 
1 1 1    5    9   48 o  210.544   5.6324  120.017   6.3973  125.946   9.3847  114.869   8.7436  215.376   8.0637  205.712   7.8658 9.664322 11.26474 
1 1 1    5    9   49 f  230.977   5.4643  144.076   6.7996  159.307   10.050  131.221   9.2336  242.175   7.6801  219.778   7.7749 22.39706 10.92861 
1 1 1    5    9   50 o  269.123   5.3577  196.855   7.7884  194.293   11.125  199.318   10.907  267.380   7.7001  270.866   7.4516 -3.485870 10.71534 
1 1 1    5    9   51 o  214.104   5.5857  124.252   6.4488  132.103   9.5031  117.551   8.7798  220.333   7.9817  207.874   7.8162 12.45897 11.17142 
1 1 1    5    9   52 o  252.384   5.4256  173.409   7.3956  174.794   10.648  172.118   10.280  253.330   7.7782  251.438   7.5662 1.892029 10.85117 
1 1 1    5    9   53 o   81.484   13.200   19.714   5.7119   16.340   8.2690   22.793   7.8995   74.328   20.103   88.639   17.112 -14.31067 26.39996 
1 1 1    5    9   54 o  288.557   7.2663  228.642   11.318  235.586   16.473  222.432   15.577  292.631   10.417  284.482   10.133 8.149139 14.53254 
1 1 1    5    9   55 f  322.928   7.5788  287.663   13.218  292.342   19.067  283.333   18.340  325.374   10.845  320.482   10.590 4.892334 15.15769 
1 1 1    5    9   56 o  123.505   7.8647   41.949   5.2095   49.822   7.7265   35.388   7.0540  134.171   10.657  112.838   11.569 21.33257 15.72932 
1 1 1    5    9   57 o  211.610   5.7714  122.882   6.5957  119.206   9.3787  126.479   9.2776  208.412   8.3278  214.807   7.9928 -6.394516 11.54287 
1 1 1    5    9   58 o   89.697   10.423   23.113   4.9338   25.647   7.2375   20.913   6.7435   95.034   14.094   84.360   15.359 10.67356 20.84519 
1 1 1    5    9   59 o   77.740   11.631   17.727   4.9675   28.328   7.3862   8.9727   6.7124   99.759   13.702   55.721   18.798 44.03793 23.26164 
1 1 1    5    9   60 o  127.486   7.8398   45.095   5.3758   50.695   8.0635   40.615   7.2125  134.543   11.091  120.429   11.083 14.11400 15.67969 
1 1 1    5    9   61 o  160.113   6.8752   71.332   5.9362   73.675   8.7291   69.317   8.0966  162.439   9.9447  157.787   9.4961 4.652069 13.75032 
1 1 1    5    9   62 o  237.197   5.8987  155.113   7.5413  166.874   11.159  145.225   10.231  245.381   8.4157  229.012   8.2678 16.36934 11.79741 
1 1 1    5    9   63 o   54.555   14.019   8.8646   5.3310   9.5802   7.8411   8.2495   7.2697   56.053   20.222   53.056   19.420 2.996979 28.03704 
1 1 1    5    9   64 o  132.998   13.622   54.847   9.7733   58.018   14.338   52.095   13.357  136.407   19.453  129.590   19.074 6.816742 27.24380 
1 1 1    5    9   65 o   55.139   16.300   7.3054   8.5125   14.086   11.854   0.0867   12.232   62.766   24.383   47.512   21.638 15.25447 32.60007 
1 1 1    5    9   66 o  106.563   13.798   39.042   7.0551   33.491   12.384   41.709   8.5845   94.904   24.102  118.222   13.438 -23.31799 27.59527 
1 1 1    5    9   67 o   56.812   14.411   11.611   5.6648   10.149   8.4747   12.793   7.6165   54.172   20.729   59.453   20.024 -5.280823 28.82118 
1 1 1    5   10    0 o  424.869   5.8920  488.067   13.527  487.746   19.153  488.388   19.108  424.729   8.3451  425.009   8.3200 -0.2802734 11.78400 
1 1 1    5   10    1 o  388.659   5.5578  408.330   11.672  402.915   16.392  413.898   16.622  386.046   7.8580  391.272   7.8618 -5.226105 11.11561 
1 1 1    5   10    4 o  882.655   12.350  2129.17   51.776  2075.23  100.522  2148.65   60.406  874.288   21.277  891.022   12.546 -16.73334 24.70076 
1 1 1    5   10    5 o   91.734   12.138   22.773   6.0168   0.0000   0.0000   22.773   6.0168  ?   ?    91.734   12.138      ?      ? 
1 1 1    5   10    6 o  424.038   8.1559  486.167   18.688   0.0000   0.0000  486.167   18.688  ?   ?   424.038   8.1559      ?      ? 
1 1 1    5   10    7 o  437.319   7.3191  510.164   15.983  536.036   29.096  498.982   19.128  445.053   12.099  429.584   8.2400 15.46878 14.63822 
1 1 1    5   10    8 o  401.164   5.6687  435.019   12.286  440.445   17.591  429.853   17.166  403.603   8.0660  398.725   7.9672 4.878662 11.33745 
1 1 1    5   10    9 o  508.822   6.6968  700.234   18.413  701.773   26.110  698.713   25.969  509.377   9.4859  508.267   9.4555 1.110016 13.39362 
1 1 1    5   10   10 o  1036.70   12.576  2914.27   70.436  2946.14  100.766  2883.82   98.495  1042.21   17.892  1031.18   17.676 11.03320 25.15129 
1 1 1    5   10   11 o  684.156   8.5637  1266.74   31.655  1279.42   45.218  1254.55   44.330  687.506   12.172  680.805   12.050 6.700989 17.12749 
1 1 1    5   10   13 o  1093.92   13.213  3244.34   78.025  3332.30  113.505  3165.54  107.434  1107.89   18.960  1079.96   18.410 27.92834 26.42690 
1 1 1    5   10   14 o  525.979   8.3901  754.760   22.734  729.505   38.132  768.688   28.318  518.934   13.598  533.024   9.8316 -14.08923 16.78028 
1 1 1    5   10   15 o  778.153   13.568  1642.36   56.979  1692.79   83.167  1597.75   78.220  789.325   19.499  766.981   18.873 22.34375 27.13668 
1 1 1    5   10   16 o  353.439   7.3289  338.103   13.994  330.856   19.846  345.270   19.735  349.664   10.503  357.214   10.224 -7.550354 14.65789 
1 1 1    5   10   17 o  170.230   6.4496   76.569   5.8543   90.000   9.2417   67.568   7.5660  182.405   9.3762  158.056   8.8586 24.34856 12.89912 
1 1 1    5   10   18 o  324.521   6.9636  284.990   12.205  281.982   17.502  287.838   17.027  322.846   10.033  326.197   9.6600 -3.350677 13.92723 
1 1 1    5   10   19 o  790.955   9.7485  1693.81   41.657  1671.42   58.194  1717.35   59.657  785.605   13.708  796.305   13.864 -10.70026 19.49696 
1 1 1    5   10   21 o  392.565   5.6076  416.663   11.895  412.040   16.833  421.275   16.810  390.388   7.9796  394.742   7.8808 -4.353790 11.21523 
1 1 1    5   10   22 f  1019.38   12.338  2814.69   67.935  2766.84   94.493  2865.88   97.739  1010.44   17.306  1028.31   17.590 -17.87360 24.67575 
1 1 1    5   10   23 o  173.296   4.8377   81.112   4.5120   81.860   6.7013   80.493   6.1025  174.022   7.1264  172.569   6.5442 1.452682 9.675340 
1 1 1    5   10   24 o  914.434   11.149  2263.88   55.088  2253.21   77.714  2274.66   78.099  912.268   15.765  916.599   15.768 -4.331421 22.29719 
1 1 1    5   10   25 o  635.356   8.0678  1091.75   27.697  1093.77   39.388  1089.77   38.955  635.936   11.462  634.777   11.357 1.159485 16.13562 
1 1 1    5   10   26 f  1101.57   16.399  3273.54   91.167  3239.33  110.405  3346.85  161.633  1093.41   18.686  1109.72   26.954 -16.30444 32.79795 
1 1 1    5   10   27 o  342.812   5.3578  317.672   9.9173  317.787   14.312  317.566   13.755  342.868   7.7248  342.755   7.4265 0.1126404 10.71567 
1 1 1    5   10   28 o  1224.57   18.015  4102.48  113.522  3981.98  190.996  4168.31  141.162  1209.47   29.224  1239.67   21.073 -30.19421 36.02938 
1 1 1    5   10   29 o  277.219   7.1414  207.732   10.698   0.0000   0.0000  207.732   10.698  ?   ?   277.219   7.1414      ?      ? 
1 1 1    5   10   30 o  488.499   9.3587  645.290   24.704   0.0000   0.0000  645.290   24.704  ?   ?   488.499   9.3587      ?      ? 
1 1 1    5   10   31 o  735.083   18.596  1465.54   73.867   0.0000   0.0000  1465.54   73.867  ?   ?   735.083   18.596      ?      ? 
1 1 1    5   10   32 o  996.437   17.302  2698.54   93.060  2777.03  135.457  2628.38  128.066  1010.04   24.819  982.837   24.114 27.19928 34.60400 
1 1 1    5   10   33 o  794.177   14.105  1711.27   60.509  1682.66   84.151  1741.89   87.067  787.339   19.779  801.014   20.115 -13.67493 28.21077 
1 1 1    5   10   34 o  511.617   10.095  707.119   27.858  741.216   40.935  677.703   38.021  523.053   14.483  500.180   14.067 22.87268 20.19035 
1 1 1    5   10   35 o  255.199   5.7198  176.267   7.8750  173.222   11.409  179.037   10.883  253.085   8.3424  257.312   7.8274 -4.227890 11.43960 
1 1 1    5   10   36 o  509.585   9.7779  702.606   26.925   0.0000   0.0000  702.606   26.925  ?   ?   509.585   9.7779      ?      ? 
1 1 1    5   10   37 o  380.740   5.9730  391.825   12.280  400.655   17.782  383.776   16.978  384.830   8.5513  376.649   8.3417 8.180939 11.94610 
1 1 1    5   10   38 o  722.950   9.1166  1416.37   35.612  1401.03   50.014  1432.16   50.720  718.981   12.873  726.919   12.912 -7.937988 18.23314 
1 1 1    5   10   39 o  556.156   7.3878  837.853   22.202  830.781   31.234  845.075   31.564  553.786   10.438  558.527   10.458 -4.740601 14.77566 
1 1 1    5   10   40 o  288.645   5.5859  225.604   8.7073  220.892   12.445  230.123   12.187  285.681   8.0619  291.610   7.7339 -5.928589 11.17171 
1 1 1    5   10   41 o  790.988   12.062  1705.41   48.711  1704.05   83.911  1706.10   59.823  789.632   19.665  792.345   13.972 -2.713318 24.12373 
1 1 1    5   10   42 o  168.826   6.6196   76.391   6.0046   87.755   9.0397   67.417   8.0328  179.941   9.2968  157.710   9.4258 22.23151 13.23925 
1 1 1    5   10   43 o  163.260   7.1576   72.054   6.2640   70.268   8.3024   74.414   9.5441  160.959   9.5455  165.561   10.668 -4.602417 14.31527 
1 1 1    5   10   44 o  242.493   5.5933  158.755   7.3155  170.682   10.735  148.414   9.9959  250.964   7.9158  234.022   7.9046 16.94211 11.18669 
1 1 1    5   10   45 o   57.616   13.105   8.9302   4.6491   7.9069   6.6689   9.8977   6.4846   55.389   18.737   59.842   18.329 -4.453064 26.21077 
1 1 1    5   10   46 o  181.660   5.9959   89.580   5.8847   89.039   8.3837   90.105   8.2622  181.110   8.5665  182.209   8.3915 -1.098740 11.99175 
1 1 1    5   10   47 o  361.083   5.7899  353.918   11.294  355.201   16.185  352.702   15.766  361.700   8.2810  360.465   8.0942 1.235291 11.57975 
1 1 1    5   10   48 o  122.340   7.9453   40.538   5.2299   44.912   7.8440   37.036   7.0173  128.223   11.321  116.458   11.151 11.76543 15.89054 
1 1 1    5   10   49 o  313.275   5.5880  266.762   9.4578  260.067   13.342  273.525   13.409  309.305   7.9827  317.245   7.8219 -7.940674 11.17607 
1 1 1    5   10   50 o  295.777   5.5401  237.710   8.8502  227.721   12.336  248.304   12.704  289.366   7.8894  302.187   7.7800 -12.82135 11.08020 
1 1 1    5   10   51 o  414.740   7.4508  470.543   15.807  473.649   27.159  468.952   19.439  414.844   12.116  414.636   8.6758 0.2074280 14.90169 
1 1 1    5   10   52 o  265.390   7.1718  193.044   10.279  184.437   14.455  201.847   14.619  259.342   10.315  271.439   9.9670 -12.09686 14.34352 
1 1 1    5   10   53 o  272.563   7.2750  203.245   10.672  212.748   15.949  195.540   14.362  278.168   10.611  266.958   9.9556 11.20938 14.54997 
1 1 1    5   10   54 o  118.128   8.3050   38.737   5.2843   35.322   7.4848   42.131   7.4615  112.790   12.281  123.467   11.184 -10.67683 16.60995 
1 1 1    5   10   55 o  403.193   6.1894  445.585   13.476  455.769   19.492  436.261   18.651  407.534   8.8514  398.853   8.6538 8.681122 12.37884 
1 1 1    5   10   56 o  121.455   8.0267   41.593   5.1857   35.350   7.6009   47.029   7.0929  112.440   12.510  130.470   10.061 -18.03006 16.05350 
1 1 1    5   10   57 o  184.595   6.1312   94.380   6.0719   86.072   8.8589  101.740   8.3385  176.641   9.2812  192.550   8.0141 -15.90977 12.26239 
1 1 1    5   10   58 o  176.596   6.4245   86.290   6.1096   84.257   8.9552   88.060   8.3563  174.466   9.4990  178.725   8.6525 -4.258743 12.84894 
1 1 1    5   10   59 o   77.021   12.116   18.290   5.0568   12.720   7.4439   23.064   6.8909   64.317   19.626   89.726   14.212 -25.40968 24.23190 
1 1 1    5   10   60 o   78.724   12.469   18.856   5.1702   20.829   7.5630   17.124   7.0841   82.733   17.465   74.714   17.800 8.019089 24.93770 
1 1 1    5   10   61 o  102.529   9.8388   29.986   5.3871   36.985   8.0465   24.301   7.2524  113.618   13.106   91.439   14.678 22.17992 19.67758 
1 1 1    5   10   62 o  145.998   7.6396   59.466   5.9717   71.792   9.0683   50.029   7.9352  159.313   10.534  132.683   11.068 26.63031 15.27927 
1 1 1    5   10   63 o   51.594   14.156   6.8601   5.6548   8.0403   8.1264   5.7521   7.8737   53.714   20.360   49.474   19.673 4.240086 28.31153 
1 1 1    5   10   64 o  145.932   12.609   65.556   9.9345   67.973   14.005   63.108   14.094  149.081   17.385  142.784   18.267 6.296829 25.21776 
1 1 1    5   10   65 o   90.245   18.375   33.889   9.5199   36.374   12.998   31.014   13.982   95.969   24.864   84.521   27.063 11.44866 36.75044 
1 1 1    5   10   66 o   71.752   16.670   16.544   6.7168   28.941   13.455   12.429   7.7518   83.652   26.523   59.853   20.201 23.79914 33.33961 
1 1 1    5   11    0 o  342.500   5.2854  316.918   9.7780  309.365   13.592  325.020   14.077  338.274   7.4358  346.726   7.5135 -8.451447 10.57089 
1 1 1    5   11    1 o  535.671   7.0208  776.128   20.322  772.013   28.643  780.300   28.837  534.242   9.9218  537.101   9.9359 -2.858948 14.04154 
1 1 1    5   11    2 o  577.906   7.4646  903.198   23.304  916.211   33.428  890.893   32.505  581.950   10.630  573.863   10.482 8.086487 14.92917 
1 1 1    5   11    3 o  430.390   6.7909  500.960   13.872  501.126   27.151  500.901   16.138  430.328   11.676  430.452   6.9379 -0.1245117 13.58190 
1 1 1    5   11    4 o  138.982   6.5373   52.214   4.9096   0.0000   0.0000   52.214   4.9096  ?   ?   138.982   6.5373      ?      ? 
1 1 1    5   11    5 o  727.239   9.0645  1430.34   35.621   0.0000   0.0000  1430.34   35.621  ?   ?   727.239   9.0645      ?      ? 
1 1 1    5   11    6 o  423.287   8.2303  484.492   18.825   0.0000   0.0000  484.492   18.825  ?   ?   423.287   8.2303      ?      ? 
1 1 1    5   11    7 o  350.612   6.5047  311.900   10.900  377.027   22.015  290.752   12.545  373.282   10.914  327.942   7.0795 45.33954 13.00943 
1 1 1    5   11    9 o  213.072   7.1806  122.862   8.2491  122.275   12.059  123.378   11.309  212.583   10.498  213.560   9.7997 -0.9768066 14.36113 
1 1 1    5   11   10 o  499.663   9.4526  675.570   25.501  690.090   36.967  662.387   35.223  504.764   13.553  494.561   13.180 10.20218 18.90514 
1 1 1    5   11   11 o  594.518   10.792  957.975   34.665  964.865   49.515  951.351   48.547  596.602   15.359  592.434   15.165 4.167969 21.58418 
1 1 1    5   11   12 o  204.688   6.8531  113.645   7.5535  102.973   10.703  124.234   10.662  195.076   10.153  214.300   9.2069 -19.22356 13.70612 
1 1 1    5   11   13 o  111.920   8.9557   33.161   5.3316   42.793   8.1911   26.081   7.0230  125.717   12.058   98.124   13.245 27.59280 17.91144 
1 1 1    5   11   14 o  422.696   8.3114  483.702   18.980  481.982   27.094  485.360   26.597  421.949   11.883  423.444   11.624 -1.494080 16.62286 
1 1 1    5   11   15 o  915.800   11.212  2263.74   55.295  2161.41   74.584  2388.62   82.396  892.996   15.456  938.605   16.246 -45.60858 22.42353 
1 1 1    5   11   16 o  720.826   9.0073  1406.60   35.081  1392.03   49.184  1421.70   50.050  717.031   12.694  724.620   12.782 -7.589417 18.01455 
1 1 1    5   11   17 o  403.802   5.7765  440.802   12.603  431.724   17.666  450.210   17.983  399.569   8.1821  408.035   8.1562 -8.466095 11.55297 
1 1 1    5   11   18 o  442.136   6.0953  528.412   14.560  517.530   20.358  539.806   20.831  437.478   8.6119  446.793   8.6282 -9.315125 12.19061 
1 1 1    5   11   20 o  306.692   7.0832  254.264   11.739   0.0000   0.0000  254.264   11.739  ?   ?   306.692   7.0832      ?      ? 
1 1 1    5   11   21 o  322.374   5.1614  280.921   8.9863  281.206   12.925  280.655   12.503  322.529   7.4158  322.218   7.1809 0.3106995 10.32280 
1 1 1    5   11   22 o  110.597   6.5720   32.554   3.8871   36.670   6.0499   29.661   5.0727  116.454   9.6141  104.739   8.9628 11.71472 13.14391 
1 1 1    5   11   23 o  415.106   8.2904  465.816   18.596   0.0000   0.0000  465.816   18.596  ?   ?   415.106   8.2904      ?      ? 
1 1 1    5   11   24 o  885.513   10.833  2122.23   51.834  2102.81   72.778  2142.22   73.843  881.407   15.280  889.620   15.361 -8.213318 21.66673 
1 1 1    5   11   25 o  218.963   6.7523  136.640   7.4066  151.964   9.2389  109.077   12.391  237.109   7.2108  200.817   11.418 36.29181 13.50461 
1 1 1    5   11   27 o  1088.88   16.179  3221.19   89.731  3209.46  155.267  3227.06  109.951  1086.55   26.445  1091.21   18.647 -4.660400 32.35780 
1 1 1    5   11   28 o  473.198   6.5321  605.413   16.700  607.535   23.852  603.373   23.389  474.009   9.3123  472.388   9.1626 1.620575 13.06415 
1 1 1    5   11   29 f  396.465   5.8884  424.052   12.600  405.605   17.317  444.807   18.368  387.324   8.2740  405.607   8.3806 -18.28262 11.77680 
1 1 1    5   11   30 o  474.439   9.5451  606.714   24.400  575.450   33.010  644.369   36.228  461.043   13.250  487.835   13.743 -26.79111 19.09015 
1 1 1    5   11   31 o  377.216   8.5551  383.342   17.395  411.937   25.719  359.234   23.616  390.115   12.201  364.317   11.996 25.79816 17.11012 
1 1 1    5   11   32 o  499.957   9.9651  676.454   26.909  661.487   37.373  692.568   38.777  494.226   13.994  505.687   14.191 -11.46109 19.93019 
1 1 1    5   11   33 o  1259.30   18.752  4300.38  119.027  4391.89  211.348  4257.87  144.042  1266.99   30.870  1251.60   21.298 15.38672 37.50408 
1 1 1    5   11   34 o  407.647   8.6282  449.437   19.006   0.0000   0.0000  449.437   19.006  ?   ?   407.647   8.6282      ?      ? 
1 1 1    5   11   35 o  265.081   5.7344  189.530   8.2015  199.379   12.010  180.924   11.227  271.514   8.1859  258.648   8.0326 12.86664 11.46878 
1 1 1    5   11   36 o  287.941   5.6463  224.195   8.7710  225.513   12.792  223.025   12.050  288.731   8.1987  287.152   7.7657 1.579132 11.29270 
1 1 1    5   11   37 f  247.482   7.9024  165.673   10.568   0.0000   0.0000  165.673   10.568  ?   ?   247.482   7.9024      ?      ? 
1 1 1    5   11   38 o  255.070   5.6961  176.203   7.8415  172.572   11.302  179.573   10.889  252.523   8.2827  257.618   7.8219 -5.094177 11.39230 
1 1 1    5   11   39 o  635.628   8.2256  1095.23   28.248  1077.99   39.514  1113.25   40.398  630.521   11.598  640.735   11.668 -10.21411 16.45120 
1 1 1    5   11   40 o  408.954   6.1515  452.460   13.584  462.864   19.673  442.981   18.779  413.431   8.8060  404.476   8.5918 8.954987 12.30304 
1 1 1    5   11   41 o  604.716   7.9170  992.292   25.869  982.923   36.428  1001.82   36.744  601.835   11.201  607.597   11.191 -5.761414 15.83398 
1 1 1    5   11   42 o  231.602   6.7834  137.880   7.8890  166.059   14.609  126.280   9.3732  247.302   10.932  215.902   8.0342 31.39990 13.56680 
1 1 1    5   11   43 o  923.299   14.016  2343.79   66.074  2339.94   81.150  2351.35  113.809  924.923   16.237  921.674   22.851 3.249512 28.03233 
1 1 1    5   11   44 o  147.446   7.7249   60.223   6.0400   68.355   8.1972   50.563   8.9342  158.652   9.5616  136.240   12.136 22.41272 15.44983 
1 1 1    5   11   45 o  426.218   6.3099  492.961   14.526  505.008   20.938  481.783   20.168  431.219   8.9858  421.217   8.8609 10.00241 12.61983 
1 1 1    5   11   46 f  114.502   8.4030   35.595   5.1775   37.545   7.7562   34.028   6.9535  117.284   12.238  111.720   11.518 5.564186 16.80610 
1 1 1    5   11   47 o  107.240   8.6787   31.443   5.0253   31.851   7.2694   31.069   6.9549  107.886   12.469  106.595   12.074 1.290833 17.35730 
1 1 1    5   11   48 o  214.202   5.7143  124.140   6.5984  134.516   9.7329  115.315   8.9761  222.443   8.0972  205.962   8.0652 16.48120 11.42856 
1 1 1    5   11   49 o  221.823   5.6508  133.284   6.7575  141.584   9.9833  126.265   9.1802  228.152   8.0977  215.493   7.8837 12.65868 11.30157 
1 1 1    5   11   50 o  257.199   7.2445  180.704   10.049  185.338   14.750  176.689   13.728  260.194   10.491  254.204   9.9938 5.989716 14.48898 
1 1 1    5   11   51 o   80.296   13.799   19.563   6.0706   13.115   9.0482   24.842   8.1865   67.813   21.777   92.780   16.954 -24.96760 27.59796 
1 1 1    5   11   52 o  171.783   7.9772   80.100   7.3496   91.441   11.255   71.667   9.7046  182.191   11.432  161.374   11.129 20.81750 15.95436 
1 1 1    5   11   53 o  104.698   10.111   32.633   5.1608   19.558   7.4031   44.995   7.1982   81.566   17.331  127.831   10.421 -46.26516 20.22265 
1 1 1    5   11   54 o  282.939   5.6372  218.970   8.6110  217.779   12.424  220.072   11.946  282.121   8.1496  283.757   7.7907 -1.635071 11.27433 
1 1 1    5   11   55 o   76.432   12.364   17.545   4.9893   16.047   7.3833   18.804   6.7685   72.975   18.653   79.888   16.233 -6.912994 24.72702 
1 1 1    5   11   56 o  160.482   6.7223   71.430   5.7953   65.589   8.4165   76.697   7.9916  153.991   10.115  166.973   8.8573 -12.98170 13.44460 
1 1 1    5   11   57 o  109.816   9.2355   33.396   5.3870   43.274   8.1925   25.871   7.1500  124.153   12.212   95.479   13.858 28.67383 18.47103 
1 1 1    5   11   58 o   63.935   13.497   12.025   5.1177   16.735   7.7243   8.3411   6.8324   73.494   19.229   54.376   18.945 19.11756 26.99387 
1 1 1    5   11   59 o  225.561   8.6554  140.525   10.550  140.525   10.550   0.0000   0.0000  225.561   8.6554  ?   ?       ?      ? 
1 1 1    5   11   60 o  142.741   7.7368   57.777   5.9081   49.861   8.4848   65.228   8.2317  132.692   11.833  152.790   9.9703 -20.09744 15.47368 
1 1 1    5   11   61 o  129.705   8.3654   47.857   5.8404   47.361   8.6129   48.278   7.9464  128.779   12.377  130.630   11.257 -1.850677 16.73085 
1 1 1    5   11   62 o   58.570   13.975   10.328   5.3780   14.952   8.0458   6.5937   7.2305   67.271   20.377   49.869   19.132 17.40164 27.95078 
1 1 1    5   11   63 o  244.231   13.916  173.851   18.366   0.0000   0.0000  173.851   18.366  ?   ?   244.231   13.916      ?      ? 
1 1 1    5   11   64 o  106.521   16.315   42.333   9.7028   61.396   13.881   24.122   13.568  136.835   18.774   76.207   26.689 60.62765 32.63071 
1 1 1    5   11   65 o  113.002   16.075   44.769   9.6267   58.874   14.287   33.041   13.028  133.259   19.841   92.744   25.296 40.51530 32.14902 
1 1 1    5   11   66 o   33.547   11.381  -7.9227   5.8376  -3.7469   8.9383 -11.0287   7.7088   37.570   17.590   29.523   14.447 8.046320 22.76205 
1 1 1    5   12    0 o  365.964   7.5365  362.334   14.903  365.991   21.232  358.784   20.922  367.782   10.684  364.145   10.633 3.636719 15.07293 
1 1 1    5   12    1 o  648.169   11.530  1138.95   40.383  1142.57   57.256  1135.36   56.965  649.193   16.321  647.146   16.290 2.046631 23.05971 
1 1 1    5   12    2 o  473.362   8.9137  606.612   22.799  603.829   32.063  609.459   32.426  472.267   12.564  474.457   12.647 -2.190369 17.82735 
1 1 1    5   12    3 o  174.187   6.2913   82.054   5.9196   81.824   8.2567   82.297   8.4913  173.938   8.7847  174.436   9.0084 -0.4974823 12.58262 
1 1 1    5   12    4 o  278.366   6.9852  209.493   10.507   0.0000   0.0000  209.493   10.507  ?   ?   278.366   6.9852      ?      ? 
1 1 1    5   12    7 o  666.177   11.872  1201.44   42.737   0.0000   0.0000  1201.44   42.737  ?   ?   666.177   11.872      ?      ? 
1 1 1    5   12    9 o  485.940   13.166  639.640   34.573   0.0000   0.0000  639.640   34.573  ?   ?   485.940   13.166      ?      ? 
1 1 1    5   12   13 o  488.020   6.6068  643.953   17.417  653.767   25.024  634.733   24.256  491.620   9.4198  484.420   9.2664 7.200195 13.21354 
1 1 1    5   12   14 o  1377.70   16.544  5164.42  123.162  5168.54  174.282  5160.32  174.073  1378.24   23.401  1377.15   23.392 1.093018 33.08757 
1 1 1    5   12   17 o  674.288   8.5183  1230.22   31.036  1237.15   44.155  1223.46   43.632  676.161   12.085  672.416   12.008 3.744873 17.03653 
1 1 1    5   12   18 o  1286.67   15.452  4494.66  107.432  4510.06  152.466  4479.47  151.402  1288.85   21.892  1284.49   21.813 4.356567 30.90400 
1 1 1    5   12   19 o  741.118   9.2536  1486.45   37.058  1482.52   52.408  1490.38   52.408  740.136   13.104  742.099   13.069 -1.962585 18.50723 
1 1 1    5   12   21 o  1026.44   12.456  2852.83   69.070  2811.65   96.442  2896.20   98.967  1018.85   17.517  1034.03   17.712 -15.17664 24.91133 
1 1 1    5   12   22 o  718.939   9.0034  1398.16   34.974  1405.45   49.848  1391.09   49.082  720.780   12.799  717.099   12.666 3.681519 18.00671 
1 1 1    5   12   23 o  600.330   7.7422  974.394   25.107  985.289   36.043  964.125   34.994  603.584   11.051  597.076   10.846 6.507019 15.48438 
1 1 1    5   12   24 o  969.643   14.520  2549.53   71.681  2549.53   87.750  2549.55  124.270  970.232   16.737  969.054   23.732 1.178101 29.04020 
1 1 1    5   12   25 o   95.353   11.341   24.499   5.4088   23.391   6.6142   26.734   9.3975   92.975   13.165   97.731   18.472 -4.755913 22.68298 
1 1 1    5   12   26 o  655.483   10.351  1139.43   33.508  1221.17   62.481  1106.43   39.700  671.411   17.222  639.556   11.487 31.85486 20.70128 
1 1 1    5   12   27 o  396.720   7.4574  430.203   15.173  440.563   18.833  411.036   25.615  403.668   8.6337  389.772   12.162 13.89536 14.91473 
1 1 1    5   12   28 o  655.188   11.976  1162.44   42.374  1139.86   58.740  1186.94   61.188  648.581   16.760  661.796   17.110 -13.21582 23.95119 
1 1 1    5   12   29 o  378.666   8.6578  387.963   17.712  399.324   25.290  377.027   24.813  384.108   12.184  373.224   12.303 10.88428 17.31553 
1 1 1    5   12   30 o  777.231   13.853  1639.48   58.175  1654.95   83.005  1624.55   81.559  780.819   19.673  773.643   19.509 7.176208 27.70613 
1 1 1    5   12   31 o  534.713   8.8916  786.922   24.636  726.126   40.259  823.315   31.149  517.769   14.389  551.656   10.449 -33.88727 17.78311 
1 1 1    5   12   32 o  379.023   6.0132  387.550   12.299  362.008   16.948  415.966   17.876  365.860   8.5725  392.186   8.4349 -26.32571 12.02646 
1 1 1    5   12   33 o  268.807   7.7242  195.387   11.220   0.0000   0.0000  195.387   11.220  ?   ?   268.807   7.7242      ?      ? 
1 1 1    5   12   34 o  308.124   5.7689  257.071   9.5905  250.469   13.843  263.165   13.300  304.305   8.4182  311.944   7.8901 -7.638275 11.53776 
1 1 1    5   12   35 o  243.409   5.8294  160.713   7.6461  151.767   11.021  169.015   10.617  236.847   8.6110  249.971   7.8600 -13.12431 11.65885 
1 1 1    5   12   36 o  520.692   7.1074  733.909   19.997  727.989   28.235  739.869   28.326  518.582   10.076  522.801   10.027 -4.219177 14.21476 
1 1 1    5   12   37 o  105.512   9.7732   29.741   5.5269   35.232   8.4219   25.587   7.3249  113.937   13.679   97.087   13.962 16.85026 19.54639 
1 1 1    5   12   38 f  242.187   5.8145  158.949   7.5973  154.798   10.971  162.774   10.531  239.130   8.4905  245.243   7.9464 -6.112503 11.62903 
1 1 1    5   12   39 o  292.303   5.6703  231.190   8.9492  233.501   12.944  229.073   12.386  293.692   8.1564  290.913   7.8794 2.779419 11.34066 
1 1 1    5   12   40 o  110.709   8.9098   33.114   5.3141   36.784   7.8332   29.985   7.2330  116.368   12.457  105.050   12.742 11.31772 17.81969 
1 1 1    5   12   41 o  146.555   7.2623   58.650   5.7121   51.833   8.1898   65.107   7.9711  138.165   10.969  154.945   9.5203 -16.77931 14.52465 
1 1 1    5   12   42 o  260.629   6.6810  179.102   8.8576  199.527   15.761  169.674   10.709  271.024   10.762  250.235   7.9194 20.78931 13.36192 
1 1 1    5   12   43 o  394.788   7.3381  431.628   15.082  391.216   24.231  457.185   19.270  379.070   11.829  410.507   8.6869 -31.43668 14.67629 
1 1 1    5   12   44 o  197.762   6.7855  106.630   7.1738  108.756   9.5313  103.851   10.896  200.133   8.8134  195.389   10.320 4.744034 13.57097 
1 1 1    5   12   45 o  227.538   6.4142  140.627   7.7973  140.475   10.282  140.833   11.962  227.486   8.3644  227.590   9.7263 -0.1035614 12.82830 
1 1 1    5   12   46 o  361.948   5.8739  355.975   11.485  352.681   16.386  359.157   16.103  360.275   8.4168  363.621   8.1956 -3.345612 11.74774 
1 1 1    5   12   47 o  332.126   5.7589  299.939   10.330  297.636   14.817  302.117   14.410  330.849   8.2876  333.403   7.9985 -2.553955 11.51784 
1 1 1    5   12   48 o  235.834   6.7460  149.352   8.1674  158.964   14.121  144.520   10.012  241.139   10.837  230.530   8.0373 10.60902 13.49191 
1 1 1    5   12   49 f  183.007   8.0728   91.820   7.8651   92.004   12.216   91.689   10.279  182.932   12.358  183.082   10.390 -0.1509247 16.14553 
1 1 1    5   12   50 o  194.640   7.8888  103.540   8.2058  107.635   12.676  100.586   10.766  197.726   11.864  191.555   10.401 6.171143 15.77763 
1 1 1    5   12   51 o  203.406   5.9952  112.762   6.5714  115.531   9.7070  110.419   8.9284  205.642   8.7354  201.170   8.2134 4.472595 11.99033 
1 1 1    5   12   52 o  123.222   8.1660   42.219   5.3830   39.680   8.0528   44.270   7.2376  119.629   12.457  126.815   10.562 -7.186043 16.33194 
1 1 1    5   12   53 o  244.621   5.7712  163.318   7.6022  168.041   11.294  159.406   10.279  247.744   8.4367  241.499   7.8771 6.244888 11.54240 
1 1 1    5   12   54 o  243.924   5.7453  162.975   7.5619  163.772   11.003  162.262   10.410  244.402   8.3317  243.446   7.9131 0.9555054 11.49061 
1 1 1    5   12   55 o   82.627   11.704   20.136   5.1017   17.534   7.4816   22.398   6.9748   76.299   18.367   88.956   14.510 -12.65723 23.40707 
1 1 1    5   12   56 o  135.249   7.8225   50.830   5.6983   52.479   8.4578   49.460   7.7111  137.121   11.415  133.377   10.699 3.743561 15.64506 
1 1 1    5   12   57 o  225.225   5.9871  139.704   7.2745  141.639   10.627  137.999   9.9787  226.578   8.6800  223.873   8.2487 2.705612 11.97428 
1 1 1    5   12   58 f   58.775   13.063   9.9600   5.2309   2.1866   7.8645   16.127   7.0051   45.039   18.966   72.511   17.969 -27.47192 26.12634 
1 1 1    5   12   59 f  143.223   7.8499   56.914   6.0366   65.102   9.1644   50.639   8.0232  152.186   11.144  134.261   11.059 17.92509 15.69988 
1 1 1    5   12   60 o   75.312   13.473   17.711   5.5179   21.448   8.1371   14.530   7.5078   82.839   18.630   67.785   19.470 15.05376 26.94697 
1 1 1    5   12   61 o   70.571   13.881   16.314   5.4754   16.186   8.1302   16.420   7.4071   69.960   20.309   71.181   18.929 -1.221161 27.76276 
1 1 1    5   12   62 o   42.671   12.776  -1.9727   5.7171   8.1488   8.3646 -10.8464   7.8320   54.225   20.631   31.116   15.075 23.10928 25.55173 
1 1 1    5   12   63 o  108.105   17.383   41.332   9.9476   36.104   13.738   47.095   14.423   99.682   25.424  116.527   23.713 -16.84487 34.76605 
1 1 1    5   12   64 o   93.976   17.800   35.396   9.5607   44.324   13.477   26.351   13.565  109.269   23.521   78.683   26.722 30.58598 35.59937 
1 1 1    5   12   65 o   67.028   16.863   16.541   7.1467   20.725   13.612   14.948   8.3972   69.887   26.383   64.168   21.008 5.719025 33.72562 
1 1 1    5   13    1 o  545.519   7.1869  805.072   21.181  814.568   30.321  796.021   29.601  548.655   10.227  542.383   10.100 6.271545 14.37375 
1 1 1    5   13    3 o  661.280   9.6349  1179.45   29.799  1195.27   59.817  1174.23   34.367  663.766   16.677  658.795   9.6539 4.971252 19.26987 
1 1 1    5   13    4 o  303.495   5.1859  248.962   8.5048   0.0000   0.0000  248.962   8.5048  ?   ?   303.495   5.1859      ?      ? 
1 1 1    5   13    5 o  163.764   6.9341   72.509   6.1361   0.0000   0.0000   72.509   6.1361  ?   ?   163.764   6.9341      ?      ? 
1 1 1    5   13    6 o  381.032   7.8638  392.605   16.191   0.0000   0.0000  392.605   16.191  ?   ?   381.032   7.8638      ?      ? 
1 1 1    5   13    7 f  804.180   9.9617  1749.66   43.289   0.0000   0.0000  1749.66   43.289  ?   ?   804.180   9.9617      ?      ? 
1 1 1    5   13    8 o  808.948   11.521  1780.43   43.830  1761.94   86.726  1786.77   50.794  805.407   19.927  812.489   11.569 -7.081848 23.04213 
1 1 1    5   13   11 o  471.242   9.1730  600.638   23.359   0.0000   0.0000  600.638   23.359  ?   ?   471.242   9.1730      ?      ? 
1 1 1    5   13   14 o  1017.67   12.364  2806.84   67.983  2782.60   95.314  2831.94   96.994  1013.21   17.409  1022.12   17.561 -8.913940 24.72769 
1 1 1    5   13   16 o  680.743   8.6064  1253.82   31.656  1261.12   45.104  1246.73   44.441  682.691   12.226  678.795   12.116 3.895996 17.21277 
1 1 1    5   13   18 o  702.068   12.532  1333.55   47.542   0.0000   0.0000  1333.55   47.542  ?   ?   702.068   12.532      ?      ? 
1 1 1    5   13   20 o  613.561   11.154  1018.10   36.981   0.0000   0.0000  1018.10   36.981  ?   ?   613.561   11.154      ?      ? 
1 1 1    5   13   22 o  645.133   8.2682  1125.83   28.823  1117.99   40.775  1133.66   40.749  642.886   11.737  647.380   11.648 -4.493530 16.53631 
1 1 1    5   13   23 o  413.366   7.5385  457.367   15.700  449.214   18.948  475.225   28.042  407.621   8.6025  419.111   12.382 -11.48999 15.07707 
1 1 1    5   13   24 o  421.283   12.479  480.180   28.408   0.0000   0.0000  480.180   28.408  ?   ?   421.283   12.479      ?      ? 
1 1 1    5   13   25 o  304.187   7.9370  249.665   13.029  263.288   19.017  237.613   17.887  311.987   11.280  296.387   11.169 15.59909 15.87409 
1 1 1    5   13   26 o  575.097   10.833  895.366   33.657  882.883   46.953  908.558   48.269  570.985   15.218  579.210   15.422 -8.225098 21.66623 
1 1 1    5   13   27 o  480.417   9.6591  624.859   25.075  629.054   35.583  620.721   35.340  482.018   13.661  478.815   13.659 3.203247 19.31819 
1 1 1    5   13   28 o  248.791   8.4704  167.711   11.367  171.081   15.712  164.009   16.466  251.431   11.565  246.150   12.380 5.280762 16.94083 
1 1 1    5   13   29 o  667.558   10.599  1188.10   35.163  1255.86   64.644  1159.63   41.905  680.527   17.579  654.589   11.847 25.93787 21.19851 
1 1 1    5   13   30 o  703.376   8.9585  1338.81   34.040  1314.98   47.475  1364.01   48.835  696.946   12.606  709.805   12.732 -12.85876 17.91694 
1 1 1    5   13   31 o  365.345   6.0004  360.979   11.833  361.210   17.137  360.769   16.360  365.448   8.6781  365.242   8.2891 0.2066650 12.00074 
1 1 1    5   13   32 o  346.633   8.1854  324.938   15.332   0.0000   0.0000  324.938   15.332  ?   ?   346.633   8.1854      ?      ? 
1 1 1    5   13   33 o  378.692   8.4228  387.916   17.236   0.0000   0.0000  387.916   17.236  ?   ?   378.692   8.4228      ?      ? 
1 1 1    5   13   34 o  728.563   9.2219  1438.50   36.303  1443.85   51.716  1433.30   50.971  729.886   13.112  727.239   12.971 2.646851 18.44377 
1 1 1    5   13   35 o  639.971   8.3174  1109.11   28.757  1087.30   40.161  1132.06   41.195  633.523   11.732  646.419   11.793 -12.89703 16.63480 
1 1 1    5   13   36 o  559.111   7.4938  846.454   22.634  824.332   31.558  869.889   32.481  551.594   10.588  566.628   10.608 -15.03400 14.98769 
1 1 1    5   13   37 o  347.262   5.8805  326.403   11.028  327.055   15.880  325.796   15.327  347.586   8.4546  346.938   8.1756 0.6482544 11.76097 
1 1 1    5   13   38 f  636.442   8.2649  1097.79   28.408  1068.24   39.375  1129.87   41.026  627.535   11.612  645.349   11.765 -17.81360 16.52974 
1 1 1    5   13   39 o  350.546   5.9177  332.891   11.206  323.946   15.849  341.834   15.847  345.824   8.4813  355.268   8.2549 -9.443390 11.83540 
1 1 1    5   13   40 o  335.036   5.7807  303.789   10.451  310.098   15.247  298.198   14.354  338.295   8.3407  331.778   8.0062 6.517242 11.56144 
1 1 1    5   13   41 o  199.170   6.1292  108.070   6.5635   97.797   9.4185  117.769   9.1516  189.882   9.1794  208.459   8.1244 -18.57738 12.25832 
1 1 1    5   13   42 o  247.561   5.7311  166.546   7.6492  158.489   11.013  174.055   10.632  241.727   8.4313  253.395   7.7649 -11.66763 11.46216 
1 1 1    5   13   43 o  102.741   11.390   24.776   5.6854   48.198   10.547   15.182   6.7501  132.647   14.714   72.835   17.391 59.81210 22.78061 
1 1 1    5   13   44 o  393.560   7.3594  431.008   15.134  379.279   23.854  465.855   19.579  372.936   11.837  414.184   8.7479 -41.24771 14.71877 
1 1 1    5   13   45 o  193.740   6.9662  101.080   7.2527   90.941   9.6729  114.099   10.961  182.773   9.7939  204.707   9.9092 -21.93434 13.93246 
1 1 1    5   13   46 o  142.476   15.631   56.081   12.034   56.081   12.034   0.0000   0.0000  142.476   15.631  ?   ?       ?      ? 
1 1 1    5   13   47 o  276.919   7.4574  209.761   11.095  206.802   16.535  212.185   14.965  274.968   11.128  278.870   9.9306 -3.902344 14.91489 
1 1 1    5   13   48 o   85.859   14.116   21.309   6.2788   22.703   10.229   20.466   7.9535   87.708   21.701   84.010   18.058 3.697968 28.23147 
1 1 1    5   13   49 o  163.239   7.4499   72.352   6.5386   65.721   8.7381   80.788   9.8565  154.844   10.443  171.635   10.628 -16.79073 14.89986 
1 1 1    5   13   50 o  176.195   6.5213   84.981   6.1675   84.240   9.2478   85.574   8.2771  175.374   9.7585  177.015   8.6533 -1.640427 13.04254 
1 1 1    5   13   51 o  374.757   6.0477  383.646   12.233  390.996   17.799  377.066   16.841  378.072   8.7121  371.442   8.3904 6.630554 12.09547 
1 1 1    5   13   52 o  102.634   9.5158   29.409   5.2173   29.468   7.9984   29.366   6.8832  102.469   14.445  102.800   12.391 -0.3310471 19.03160 
1 1 1    5   13   53 o   57.900   12.965   9.3198   5.0077   2.8553   7.4916   14.541   6.7329   45.987   18.861   69.813   17.795 -23.82661 25.93047 
1 1 1    5   13   54 o  117.905   8.5916   38.723   5.4500   39.608   8.1305   38.001   7.3442  118.968   12.647  116.841   11.632 2.126976 17.18310 
1 1 1    5   13   55 o  237.979   5.9392  155.386   7.6107  159.114   11.300  152.291   10.296  240.440   8.6971  235.519   8.0904 4.920944 11.87832 
1 1 1    5   13   56 o  235.577   6.0633  152.425   7.6865  158.650   11.490  147.383   10.341  239.753   8.8690  231.401   8.2702 8.352158 12.12663 
1 1 1    5   13   57 o   65.202   13.712   12.422   5.3155   18.196   8.1336   8.1175   7.0226   76.390   19.606   54.013   19.175 22.37712 27.42378 
1 1 1    5   13   58 f   56.488   14.103   9.0780   5.4895   5.9744   8.3715   11.419   7.2711   51.718   20.374   61.258   19.506 -9.539249 28.20559 
1 1 1    5   13   59 o  242.555   6.1076  162.893   7.9942  167.413   11.672  158.898   10.972  245.607   8.7943  239.503   8.4777 6.103363 12.21521 
1 1 1    5   13   60 o   65.120   14.122   13.442   5.5008   17.067   8.1612   10.424   7.4463   72.272   20.144   57.968   19.798 14.30385 28.24415 
1 1 1    5   13   61 o  181.555   7.1066   92.855   6.9542   93.484   10.215   92.311   9.4944  181.868   10.394  181.243   9.6943 0.6242828 14.21310 
1 1 1    5   13   62 o  122.777   13.092   42.361   8.1696   34.706   9.7389   60.541   15.008  107.136   16.822  138.419   20.065 -31.28286 26.18404 
1 1 1    5   13   63 o  115.740   16.815   50.600   10.158   54.122   14.164   46.869   14.577  122.158   22.278  109.322   25.193 12.83592 33.63052 
1 1 1    5   13   64 o   88.115   18.603   31.691   9.7867   36.171   13.102   26.036   14.719   97.835   24.762   78.395   27.768 19.43997 37.20530 
1 1 1    5   13   65 o   62.676   14.824   14.863   6.2167   9.7952   9.1674   19.177   8.4587   53.542   21.248   71.810   20.678 -18.26803 29.64827 
1 1 1    5   14    0 o  267.547   8.0259  193.036   11.561  201.509   17.235  186.104   15.589  272.853   11.689  262.242   11.001 10.61026 16.05181 
1 1 1    5   14    1 o  575.577   10.847  897.785   33.733  902.027   48.144  893.694   47.280  576.900   15.444  574.253   15.237 2.647095 21.69480 
1 1 1    5   14    2 o  344.101   7.8584  320.172   14.612   0.0000   0.0000  320.172   14.612  ?   ?   344.101   7.8584      ?      ? 
1 1 1    5   14    3 o  235.990   7.8034  150.588   9.9509   0.0000   0.0000  150.588   9.9509  ?   ?   235.990   7.8034      ?      ? 
1 1 1    5   14    4 o  484.997   9.2072  636.235   24.130   0.0000   0.0000  636.235   24.130  ?   ?   484.997   9.2072      ?      ? 
1 1 1    5   14    5 o  364.756   7.7171  359.747   15.211   0.0000   0.0000  359.747   15.211  ?   ?   364.756   7.7171      ?      ? 
1 1 1    5   14    6 o  185.935   9.0075   93.503   9.0501   0.0000   0.0000   93.503   9.0501  ?   ?   185.935   9.0075      ?      ? 
1 1 1    5   14    7 o  472.094   6.5376  602.481   16.678   0.0000   0.0000  602.481   16.678  ?   ?   472.094   6.5376      ?      ? 
1 1 1    5   14    8 o  521.641   8.4508  738.553   22.499  729.955   38.707  742.940   27.650  519.195   13.796  524.087   9.7634 -4.891541 16.90167 
1 1 1    5   14    9 o  464.346   7.8229  583.215   18.449  583.784   32.155  582.936   22.525  464.407   12.813  464.286   8.9781 0.1207275 15.64575 
1 1 1    5   14   15 o  965.405   11.791  2524.22   61.509  2537.14   87.447  2511.56   86.534  967.845   16.721  962.966   16.630 4.879272 23.58238 
1 1 1    5   14   16 o  1312.50   22.338  4673.62  158.431   0.0000   0.0000  4673.62  158.431  ?   ?   1312.50   22.338      ?      ? 
1 1 1    5   14   17 o  1063.47   12.915  3061.05   74.165  2996.56  102.626  3131.56  107.302  1051.79   18.057  1075.15   18.469 -23.36780 25.82942 
1 1 1    5   14   18 o  700.913   17.813  1330.63   67.466   0.0000   0.0000  1330.63   67.466  ?   ?   700.913   17.813      ?      ? 
1 1 1    5   14   19 o  166.298   7.8054   71.980   6.7647   64.966   8.3565   85.315   11.522  155.002   9.9770  177.594   12.007 -22.59189 15.61083 
1 1 1    5   14   20 o  937.152   16.301  2382.22   82.504  2337.84  114.483  2430.18  119.006  928.118   22.827  946.186   23.276 -18.06824 32.60111 
1 1 1    5   14   21 o  576.235   10.781  898.804   33.565  908.333   47.937  889.640   47.012  579.226   15.316  573.245   15.177 5.980713 21.56184 
1 1 1    5   14   22 o  1300.12   22.219  4605.60  156.061  4551.80  217.983  4662.16  223.529  1292.41   31.213  1307.83   31.630 -15.42358 44.43739 
1 1 1    5   14   23 o  422.600   8.8623  483.139   20.236  488.288   28.851  478.153   28.391  424.815   12.568  420.386   12.498 4.428619 17.72466 
1 1 1    5   14   24 o  183.220   8.8510   90.825   8.7622   89.234   12.319   92.455   12.466  181.595   12.554  184.845   12.480 -3.249756 17.70192 
1 1 1    5   14   25 f  821.311   14.528  1830.76   64.476  1821.62   90.703  1840.09   91.670  819.250   20.489  823.372   20.604 -4.121521 29.05690 
1 1 1    5   14   26 f  409.086   7.6452  459.199   15.997  432.432   27.046  473.602   19.840  399.689   12.523  418.483   8.7735 -18.79367 15.29032 
1 1 1    5   14   27 o  452.269   6.5727  553.244   16.062  545.231   22.697  561.283   22.733  448.986   9.3550  455.553   9.2349 -6.567444 13.14532 
1 1 1    5   14   28 f  836.738   10.402  1893.71   46.984  1837.27   64.671  1956.79   68.375  823.581   14.532  849.895   14.888 -26.31329 20.80451 
1 1 1    5   14   29 o  948.948   11.668  2440.30   59.803  2392.10   83.081  2492.13   86.151  939.257   16.369  958.639   16.631 -19.38220 23.33550 
1 1 1    5   14   30 o  647.258   11.896  1134.11   41.606   0.0000   0.0000  1134.11   41.606  ?   ?   647.258   11.896      ?      ? 
1 1 1    5   14   31 o  299.952   5.9988  243.474   9.7172  234.758   13.786  252.080   13.699  294.608   8.6596  305.297   8.3038 -10.68860 11.99756 
1 1 1    5   14   32 o  387.637   6.2188  406.401   13.020  389.733   18.246  423.698   18.586  379.535   8.8966  395.740   8.6915 -16.20520 12.43750 
1 1 1    5   14   33 f  171.166   7.3410   79.976   6.7231   73.428   9.9778   85.420   9.0987  164.668   11.213  177.663   9.4775 -12.99541 14.68208 
1 1 1    5   14   34 o  199.577   6.5191  107.648   6.9337  108.780   10.760  106.844   9.0674  200.444   9.9339  198.710   8.4445 1.734787 13.03816 
1 1 1    5   14   35 o  196.346   6.5075  104.131   6.8015  105.859   10.611  102.926   8.8610  197.690   9.9335  195.002   8.4092 2.688522 13.01491 
1 1 1    5   14   36 o  186.846   6.5816   95.173   6.5736   89.783   9.8911   99.438   8.7975  182.039   10.055  191.653   8.4949 -9.613892 13.16320 
1 1 1    5   14   37 o  324.250   5.8414  284.622   10.225  285.467   14.809  283.852   14.134  324.695   8.4401  323.805   8.0780 0.8900146 11.68288 
1 1 1    5   14   38 f  347.817   5.9022  327.822   11.089  319.642   15.759  335.842   15.605  343.503   8.4903  352.131   8.2012 -8.627747 11.80444 
1 1 1    5   14   39 o  187.518   6.5117   95.380   6.5458   95.047   9.8901   95.640   8.7321  187.184   9.7779  187.851   8.6024 -0.6675873 13.02334 
1 1 1    5   14   40 o  187.944   6.4749   95.893   6.5237   95.187   9.8459   96.445   8.7100  187.279   9.7293  188.609   8.5461 -1.329361 12.94971 
1 1 1    5   14   41 o  228.528   6.0645  142.424   7.4464  132.454   10.876  151.221   10.216  220.900   9.1115  236.156   8.0059 -15.25613 12.12904 
1 1 1    5   14   42 o   59.497   12.733   7.6063   5.0287   17.463   7.7638   0.4824   6.6004   78.007   18.668   40.986   17.323 37.02060 25.46700 
1 1 1    5   14   43 o  380.999   6.0955  394.214   12.542  392.188   18.016  396.120   17.472  380.015   8.7733  381.983   8.4647 -1.968201 12.19107 
1 1 1    5   14   44 o  340.384   7.1246  312.952   12.311  323.198   21.625  308.039   14.975  344.018   11.633  336.750   8.2294 7.268463 14.24925 
1 1 1    5   14   45 f  429.741   8.7755  506.103   20.366  483.784   28.673  528.829   28.933  420.070   12.632  439.412   12.185 -19.34265 17.55098 
1 1 1    5   14   46 o  204.433   7.8912  113.816   8.5581  116.937   13.528  111.734   11.050  206.533   12.122  202.332   10.107 4.201324 15.78240 
1 1 1    5   14   47 o  386.634   11.317  409.685   23.644   0.0000   0.0000  409.685   23.644  ?   ?   386.634   11.317      ?      ? 
1 1 1    5   14   48 o  273.170   5.7270  203.482   8.4486  198.555   12.058  208.233   11.841  269.870   8.2686  276.469   7.9261 -6.599579 11.45394 
1 1 1    5   14   49 o  297.306   5.8273  241.182   9.3505  240.326   13.545  241.961   12.924  296.729   8.4478  297.882   8.0289 -1.153503 11.65454 
1 1 1    5   14   50 o  179.108   6.4603   87.262   6.2232   93.677   9.3682   82.195   8.3256  184.898   9.3764  173.318   8.8896 11.57996 12.92064 
1 1 1    5   14   51 o  148.515   7.4874   61.522   5.9126   56.152   8.9570   65.669   7.8712  142.391   11.641  154.639   9.4196 -12.24884 14.97473 
1 1 1    5   14   52 o  303.715   5.7856  252.471   9.4836  255.040   13.784  250.163   13.068  305.091   8.3613  302.338   7.9988 2.752808 11.57116 
1 1 1    5   14   53 o   93.344   11.282   26.312   5.3237   19.579   8.0793   31.478   7.0776   80.536   18.891  106.153   12.339 -25.61744 22.56374 
1 1 1    5   14   54 o  102.181   10.556   30.987   5.4678   24.530   8.2400   36.067   7.3087   90.756   17.436  113.606   11.906 -22.84964 21.11262 
1 1 1    5   14   55 o  176.441   6.8038   86.270   6.4612   85.458   9.5427   86.958   8.7799  175.471   10.064  177.410   9.1585 -1.938492 13.60751 
1 1 1    5   14   56 o   54.477   14.035   8.0178   5.3276   8.2758   8.0722   7.8187   7.0914   55.469   20.440   53.485   19.239 1.984318 28.06989 
1 1 1    5   14   57 o  110.379   10.054   35.756   5.8270   29.199   8.7253   41.034   7.8286  100.111   16.129  120.648   12.008 -20.53670 20.10833 
1 1 1    5   14   58 o  168.135   7.1730   78.992   6.4925   80.603   9.6455   77.657   8.7789  169.473   10.533  166.798   9.7401 2.674652 14.34599 
1 1 1    5   14   59 o  108.463   10.281   34.405   5.9951   34.041   8.8922   34.708   8.1174  107.492   15.309  109.434   13.727 -1.941490 20.56206 
1 1 1    5   14   60 o   67.545   14.828   15.175   5.9859   14.372   8.7561   15.879   8.2018   65.821   21.447   69.269   20.482 -3.448021 29.65626 
1 1 1    5   14   61 o  277.477   6.8177  203.836   9.8659  145.293   12.513  300.041   16.040  227.139   10.195  327.815   9.0552 -100.6757 13.63548 
1 1 1    5   14   62 o   92.418   19.148   35.272   10.172   34.842   14.063   35.743   14.731   92.408   26.677   92.428   27.477 -0.1933289E-01 38.29668 
1 1 1    5   14   63 o  113.702   16.645   47.913   10.148   31.306   14.459   64.032   14.246   87.079   27.483  140.324   18.787 -53.24458 33.29063 
1 1 1    5   14   64 o   53.529   15.419   9.4975   7.0491   4.9369   12.909   11.435   8.4144   50.614   22.717   56.444   20.856 -5.829445 30.83851 
1 1 1    5   15    0 o  604.892   7.8842  988.747   25.747  1016.53   37.391  963.690   35.506  612.954   11.289  596.830   11.009 16.12457 15.76845 
1 1 1    5   15    1 o  753.863   9.4529  1537.54   38.491  1507.71   53.494  1569.56   55.427  746.297   13.265  761.429   13.471 -15.13196 18.90587 
1 1 1    5   15    2 o  360.708   6.3215  363.041   11.238  323.874   20.060  380.957   13.567  346.009   10.729  375.408   6.6881 -29.39896 12.64298 
1 1 1    5   15    3 f  567.633   8.7243  871.260   26.760   0.0000   0.0000  871.260   26.760  ?   ?   567.633   8.7243      ?      ? 
1 1 1    5   15    4 o  945.414   16.466  2421.86   84.121   0.0000   0.0000  2421.86   84.121  ?   ?   945.414   16.466      ?      ? 
1 1 1    5   15    7 o  645.533   11.818  1127.51   41.223   0.0000   0.0000  1127.51   41.223  ?   ?   645.533   11.818      ?      ? 
1 1 1    5   15    9 o  756.641   13.375  1550.87   54.645  1517.12   75.582  1587.84   79.098  748.053   18.698  765.229   19.129 -17.17548 26.74924 
1 1 1    5   15   10 o  532.507   10.032  765.682   28.813  737.612   39.330  798.198   42.330  522.017   13.943  542.997   14.427 -20.98022 20.06308 
1 1 1    5   15   11 o  245.487   7.1379  163.019   9.4658  165.743   13.303  160.225   13.472  247.568   9.9439  243.406   10.243 4.162613 14.27571 
1 1 1    5   15   12 o  722.276   12.861  1413.51   50.195  1414.19   70.945  1412.84   71.028  722.450   18.173  722.102   18.203 0.3486938 25.72173 
1 1 1    5   15   13 o  1453.01   24.744  5760.84  194.269  5795.04  276.464  5727.48  273.044  1457.22   35.110  1448.80   34.877 8.424683 49.48824 
1 1 1    5   15   14 o  439.820   8.9198  521.053   21.146  554.955   31.293  492.568   28.685  452.921   12.786  426.718   12.440 26.20267 17.83952 
1 1 1    5   15   15 f  451.336   9.0785  550.723   22.129  540.991   30.690  561.261   31.937  447.192   12.700  455.480   12.976 -8.288300 18.15705 
1 1 1    5   15   16 o  240.544   7.6202  155.436   9.8688  174.527   14.610  139.414   13.384  254.041   10.643  227.047   10.909 26.99376 15.24045 
1 1 1    5   15   17 o  252.695   7.6576  172.536   10.450  168.356   14.469  177.095   15.108  249.501   10.732  255.890   10.926 -6.388855 15.31517 
1 1 1    5   15   18 o  812.093   14.314  1787.69   62.799  1811.71   89.967  1764.86   87.699  817.393   20.369  806.792   20.116 10.60126 28.62779 
1 1 1    5   15   19 o  630.748   11.580  1077.15   39.459  1064.41   55.114  1090.54   56.521  626.934   16.269  634.562   16.483 -7.627808 23.15959 
1 1 1    5   15   20 o  475.536   13.303  611.937   34.183  611.937   34.183   0.0000   0.0000  475.536   13.303  ?   ?       ?      ? 
1 1 1    5   15   21 o  1166.97   17.296  3709.34  103.211  3668.92  176.843  3730.22  127.104  1161.10   28.186  1172.85   20.055 -11.74670 34.59260 
1 1 1    5   15   22 o  289.404   11.335  226.577   17.725   0.0000   0.0000  226.577   17.725  ?   ?   289.404   11.335      ?      ? 
1 1 1    5   15   23 o  244.929   11.596  162.320   15.348  162.320   15.348   0.0000   0.0000  244.929   11.596  ?   ?       ?      ? 
1 1 1    5   15   24 o  586.677   15.626  932.658   49.537  932.658   49.537   0.0000   0.0000  586.677   15.626  ?   ?       ?      ? 
1 1 1    5   15   25 o  559.826   10.608  847.923   32.090   0.0000   0.0000  847.923   32.090  ?   ?   559.826   10.608      ?      ? 
1 1 1    5   15   26 o  664.024   8.5933  1192.89   30.827  1170.18   43.010  1216.87   44.205  657.535   12.105  670.514   12.201 -12.97894 17.18667 
1 1 1    5   15   27 o  784.310   9.8620  1665.64   41.788  1637.56   58.381  1695.13   59.840  777.543   13.895  791.076   13.999 -13.53326 19.72400 
1 1 1    5   15   28 o   90.230   12.700   21.953   6.0478   28.481   9.3022   17.173   7.9596  102.473   16.799   77.987   19.051 24.48543 25.39987 
1 1 1    5   15   29 o  631.810   11.648  1080.57   39.766   0.0000   0.0000  1080.57   39.766  ?   ?   631.810   11.648      ?      ? 
1 1 1    5   15   30 o  411.746   6.4209  458.371   14.280  440.846   19.929  476.865   20.472  403.660   9.1366  419.833   9.0241 -16.17349 12.84177 
1 1 1    5   15   31 o  452.490   9.4353  554.087   23.070   0.0000   0.0000  554.087   23.070  ?   ?   452.490   9.4353      ?      ? 
1 1 1    5   15   32 o  581.016   10.923  914.149   34.295   0.0000   0.0000  914.149   34.295  ?   ?   581.016   10.923      ?      ? 
1 1 1    5   15   33 o  363.628   6.1364  357.615   12.045  363.560   17.496  352.258   16.608  366.487   8.8345  360.769   8.5191 5.718323 12.27285 
1 1 1    5   15   34 o  324.862   8.2943  285.657   14.560   0.0000   0.0000  285.657   14.560  ?   ?   324.862   8.2943      ?      ? 
1 1 1    5   15   35 o  443.194   9.1191  531.951   21.839   0.0000   0.0000  531.951   21.839  ?   ?   443.194   9.1191      ?      ? 
1 1 1    5   15   36 o  447.334   6.6033  542.175   15.954  542.414   22.917  541.950   22.224  447.411   9.4792  447.258   9.1957 0.1531982 13.20668 
1 1 1    5   15   37 o   89.618   11.701   27.284   5.7304   3.2537   8.8870   44.385   7.4970   51.354   20.735  127.881   10.849 -76.52721 23.40171 
1 1 1    5   15   38 o  115.865   9.3200   36.643   5.7145   36.050   9.0063   37.042   7.3933  114.988   14.495  116.742   11.720 -1.753532 18.63995 
1 1 1    5   15   39 o  243.023   6.0105  160.018   7.8264  161.038   11.882  159.236   10.402  243.653   9.0243  242.394   7.9414 1.258911 12.02098 
1 1 1    5   15   40 o  143.651   10.053   56.084   7.8036   0.0000   0.0000   56.084   7.8036  ?   ?   143.651   10.053      ?      ? 
1 1 1    5   15   41 o  252.932   5.8983  174.182   8.0028  168.594   11.957  178.716   10.771  249.171   8.8804  256.694   7.7652 -7.522934 11.79664 
1 1 1    5   15   42 o  336.220   7.2173  307.048   12.312  309.234   21.520  305.984   15.011  336.700   11.828  335.741   8.2742 0.9591370 14.43469 
1 1 1    5   15   43 o   98.148   13.413   24.271   6.6571   38.041   12.023   18.182   7.9945  116.945   19.026   79.351   18.912 37.59382 26.82632 
1 1 1    5   15   44 o  394.368   8.4879  426.521   18.058  404.054   25.769  448.198   25.312  383.963   12.420  404.772   11.573 -20.80942 16.97580 
1 1 1    5   15   45 o  235.102   8.0109  151.573   9.8465  150.000   16.050  152.523   12.469  233.735   12.707  236.468   9.7580 -2.732437 16.02182 
1 1 1    5   15   46 o  109.768   9.9177   33.275   5.8819   34.045   8.3659   32.523   8.2713  111.037   13.943  108.499   14.108 2.538765 19.83534 
1 1 1    5   15   47 o  184.011   7.1444   92.766   7.0903   93.404   9.7507   92.050   10.329  184.764   9.7663  183.258   10.430 1.505615 14.28879 
1 1 1    5   15   48 o  144.421   7.6005   58.003   5.8433   51.978   8.7570   62.838   7.8453  137.335   11.800  151.508   9.5827 -14.17271 15.20099 
1 1 1    5   15   49 o  336.582   5.9639  309.781   10.840  301.495   15.461  317.793   15.203  332.070   8.6162  341.095   8.2482 -9.025543 11.92781 
1 1 1    5   15   50 o  176.026   6.6724   85.343   6.2962   82.937   9.4421   87.269   8.4487  173.589   10.066  178.462   8.7611 -4.872681 13.34471 
1 1 1    5   15   51 o  114.826   9.1689   36.737   5.6465   37.555   8.5590   36.107   7.5134  115.741   13.685  113.912   12.206 1.829102 18.33777 
1 1 1    5   15   52 o  213.476   6.1386  125.295   7.0588  123.832   10.367  126.560   9.6378  212.163   9.0428  214.788   8.3039 -2.624969 12.27712 
1 1 1    5   15   53 o  145.139   7.7713   59.477   5.9919   50.741   8.8449   66.887   8.1458  134.677   12.154  155.600   9.6880 -20.92297 15.54258 
1 1 1    5   15   54 o  176.342   7.0129   86.980   6.5947   80.609   9.9374   91.994   8.8156  170.096   10.812  182.589   8.9349 -12.49342 14.02582 
1 1 1    5   15   55 o  247.602   6.1591  169.038   8.2090  172.737   12.209  165.986   11.090  249.860   9.0423  245.345   8.3652 4.514542 12.31830 
1 1 1    5   15   56 o  156.277   7.6921   68.047   6.4431   70.407   9.8183   66.262   8.5388  158.347   11.475  154.207   10.247 4.139664 15.38415 
1 1 1    5   15   57 o   40.133   12.603  -1.8022   5.5255   1.9465   8.1738  -4.9569   7.4984   44.972   19.154   35.293   16.386 9.679230 25.20644 
1 1 1    5   15   58 o  183.282   7.1575   94.679   7.0427   88.725   10.344   99.823   9.6155  177.428   10.789  189.137   9.4082 -11.70969 14.31505 
1 1 1    5   15   59 o  105.609   11.124   33.212   6.3123   36.054   9.5626   31.017   8.4032  109.265   16.196  101.954   15.253 7.311722 22.24774 
1 1 1    5   15   61 o  182.710   12.235  105.751   11.916  115.090   16.234   94.842   17.546  194.097   15.478  171.323   18.953 22.77399 24.46969 
1 1 1    5   15   62 o  124.097   15.757   53.944   10.298   47.477   14.207   61.104   14.948  113.839   23.858  134.354   20.589 -20.51508 31.51393 
1 1 1    5   15   63 f   73.380   17.274   21.055   7.5906   24.977   14.016   19.428   9.0293   74.652   27.020   72.109   21.529 2.543015 34.54855 
1 1 1    5   16    0 f  275.013   5.5393  203.359   8.2018  217.145   12.253  192.169   11.040  283.408   8.0011  266.619   7.6627 16.78964 11.07856 
1 1 1    5   16    1 o  500.821   7.7748  686.323   18.630  661.487   35.668  695.640   21.847  494.381   13.352  507.261   7.9701 -12.88004 15.54956 
1 1 1    5   16    2 o  846.234   11.961  1965.53   48.540  1884.46   92.445  1996.39   57.034  833.488   20.526  858.981   12.288 -25.49310 23.92245 
1 1 1    5   16    3 o  968.471   11.850  2537.48   62.014   0.0000   0.0000  2537.48   62.014  ?   ?   968.471   11.850      ?      ? 
1 1 1    5   16    4 o  498.846   6.9333  672.640   18.689   0.0000   0.0000  672.640   18.689  ?   ?   498.846   6.9333      ?      ? 
1 1 1    5   16    5 o  1061.59   12.900  3049.43   73.999   0.0000   0.0000  3049.43   73.999  ?   ?   1061.59   12.900      ?      ? 
1 1 1    5   16    6 o  708.612   12.602  1358.56   48.255   0.0000   0.0000  1358.56   48.255  ?   ?   708.612   12.602      ?      ? 
1 1 1    5   16    7 o  405.385   6.2202  444.158   13.626   0.0000   0.0000  444.158   13.626  ?   ?   405.385   6.2202      ?      ? 
1 1 1    5   16    8 f  699.044   12.709  1322.04   48.007   0.0000   0.0000  1322.04   48.007  ?   ?   699.044   12.709      ?      ? 
1 1 1    5   16    9 o  416.271   7.1274  446.770   13.277  507.883   29.192  430.830   14.908  433.296   12.468  399.247   6.9104 34.04868 14.25482 
1 1 1    5   16   10 o  370.239   6.5504  370.550   11.442  370.721   22.604  370.491   13.267  370.236   11.299  370.242   6.6311 -0.5981445E-02 13.10083 
1 1 1    5   16   14 o  761.693   9.5827  1569.74   39.435  1583.78   56.391  1556.31   55.168  765.017   13.641  758.369   13.462 6.648438 19.16542 
1 1 1    5   16   16 o  190.587   6.4019   98.226   6.5675   98.029   9.7208   98.392   8.9081  190.405   9.4480  190.770   8.6414 -0.3649902 12.80384 
1 1 1    5   16   18 o  542.360   10.300  795.515   30.187   0.0000   0.0000  795.515   30.187  ?   ?   542.360   10.300      ?      ? 
1 1 1    5   16   19 o  732.375   9.2920  1449.70   36.742  1408.74   50.694  1495.02   53.327  721.505   13.003  743.245   13.278 -21.74036 18.58409 
1 1 1    5   16   20 o  570.713   7.6457  879.398   23.552  846.511   32.382  916.338   34.319  559.412   10.712  582.014   10.912 -22.60211 15.29147 
1 1 1    5   16   21 o  658.837   10.475  1179.61   35.335  1188.12   43.585  1163.29   60.357  662.580   12.173  655.095   17.050 7.485168 20.95003 
1 1 1    5   16   22 o  591.206   7.8910  945.395   25.195  956.696   36.330  934.923   34.972  594.596   11.307  587.815   11.010 6.781494 15.78202 
1 1 1    5   16   23 o  583.994   9.6162  906.354   27.946  967.342   51.370  880.717   33.305  597.450   15.912  570.539   10.803 26.91150 19.23240 
1 1 1    5   16   26 o  374.639   6.3348  379.592   12.822  369.453   18.037  389.951   18.231  369.579   9.0315  379.699   8.8853 -10.12076 12.66952 
1 1 1    5   16   27 o  178.867   7.6347   86.539   7.3129   86.888   11.122   86.273   9.7058  179.166   11.488  178.569   10.059 0.5969543 15.26942 
1 1 1    5   16   28 o  154.328   8.3996   64.708   6.9648   62.261   10.304   66.766   9.4503  151.611   12.578  157.044   11.136 -5.432465 16.79927 
1 1 1    5   16   29 o  299.491   6.1952  242.439   10.016  247.624   14.558  237.780   13.801  302.521   8.9055  296.461   8.6148 6.060333 12.39039 
1 1 1    5   16   31 o  148.736   12.533   59.975   10.073   59.975   10.073   0.0000   0.0000  148.736   12.533  ?   ?       ?      ? 
1 1 1    5   16   32 o  231.878   8.6573  145.551   10.847   0.0000   0.0000  145.551   10.847  ?   ?   231.878   8.6573      ?      ? 
1 1 1    5   16   33 o  678.197   12.336  1247.89   45.208   0.0000   0.0000  1247.89   45.208  ?   ?   678.197   12.336      ?      ? 
1 1 1    5   16   34 o  256.827   6.3078  179.838   8.6850  155.836   12.395  202.989   12.173  239.833   9.5640  273.821   8.2271 -33.98764 12.61570 
1 1 1    5   16   35 f  651.738   8.5154  1152.33   29.972  1119.00   41.537  1188.55   43.292  641.934   11.974  661.543   12.111 -19.60913 17.03088 
1 1 1    5   16   36 o   80.786   13.518   18.918   5.7873   16.115   8.9135   20.961   7.6093   75.454   21.059   86.118   16.955 -10.66417 27.03648 
1 1 1    5   16   37 o  333.152   6.0734  300.785   10.896  302.052   16.102  299.715   14.800  333.754   8.9282  332.550   8.2360 1.204193 12.14682 
1 1 1    5   16   38 o  304.997   5.9691  253.058   9.8063  236.350   14.106  268.686   13.642  295.168   8.8437  314.826   8.0193 -19.65796 11.93814 
1 1 1    5   16   39 o  187.376   6.7283   94.759   6.7208   99.155   10.496   91.703   8.7500  190.961   10.171  183.791   8.8104 7.170181 13.45652 
1 1 1    5   16   40 o  168.126   9.5725   79.818   8.1138   69.707   13.783   85.180   10.037  159.318   16.010  176.933   10.498 -17.61473 19.14500 
1 1 1    5   16   41 f  370.462   8.3321  373.288   16.521  383.108   25.303  365.991   21.811  374.465   12.505  366.459   11.015 8.005524 16.66414 
1 1 1    5   16   42 o  125.808   11.338   42.390   7.2143   47.432   12.978   40.135   8.6789  130.637   18.384  120.979   13.276 9.658630 22.67663 
1 1 1    5   16   43 o  218.970   6.2467  130.360   7.3402  131.724   11.075  129.292   9.8025  219.900   9.3202  218.041   8.3197 1.858902 12.49336 
1 1 1    5   16   44 o  181.458   6.6856   90.819   6.4616   82.163   9.7064   97.707   8.6591  173.439   10.357  189.477   8.4572 -16.03816 13.37111 
1 1 1    5   16   45 o  279.302   7.4348  218.516   10.297  200.360   18.291  226.939   12.459  269.856   12.544  288.748   7.9851 -18.89154 14.86967 
1 1 1    5   16   46 o  221.471   7.4578  128.145   8.0778  149.662   15.579  120.234   9.4469  232.968   12.376  209.975   8.3259 22.99312 14.91565 
1 1 1    5   16   47 o  204.861   6.8916  115.271   7.6057  123.534   10.649  106.667   10.867  212.508   9.2735  197.214   10.197 15.29366 13.78312 
1 1 1    5   16   48 o  222.740   6.2297  135.240   7.4552  140.346   11.242  131.233   9.9605  226.355   9.1911  219.126   8.4120 7.229492 12.45948 
1 1 1    5   16   49 o  316.512   5.9718  274.144   10.190  275.703   14.942  272.788   13.933  317.217   8.7171  315.805   8.1646 1.412140 11.94357 
1 1 1    5   16   50 o  154.803   7.5935   66.433   6.2501   65.212   9.6910   67.303   8.1783  153.251   11.702  156.355   9.6797 -3.103851 15.18696 
1 1 1    5   16   51 o   65.390   14.157   12.619   5.4359   14.239   8.2918   11.399   7.1985   68.654   20.662   62.127   19.358 6.527153 28.31334 
1 1 1    5   16   52 o   42.668   12.912   0.7008   5.3416  -2.5083   8.4521   2.8349   6.8925   40.995   18.392   44.340   18.128 -3.345600 25.82377 
1 1 1    5   16   53 o   62.689   13.749   11.936   5.3799   7.2078   8.1742   15.550   7.1458   53.988   20.430   71.390   18.406 -17.40208 27.49822 
1 1 1    5   16   54 o   94.592   11.484   26.195   5.7142   27.760   8.6350   24.975   7.6218   96.131   17.257   93.054   15.158 3.076935 22.96893 
1 1 1    5   16   55 o  205.773   6.6276  117.492   7.3145  116.558   11.005  118.230   9.7896  204.708   9.9490  206.838   8.7589 -2.130234 13.25521 
1 1 1    5   16   56 o  154.773   8.0239   68.913   6.5608   57.495   9.7563   78.338   8.8644  141.998   12.715  167.549   9.7908 -25.55061 16.04771 
1 1 1    5   16   57 o  121.344   10.144   44.538   6.3133   34.054   9.7278   52.167   8.2983  106.868   16.845  135.820   11.307 -28.95198 20.28798 
1 1 1    5   16   58 o  244.588   6.6887  168.726   8.7795  162.289   13.042  174.060   11.872  239.676   10.070  249.501   8.8060 -9.824356 13.37736 
1 1 1    5   16   60 o  101.520   19.830   40.384   11.601   29.730   15.967   52.297   16.884   85.089   28.991  117.950   27.065 -32.86143 39.66084 
1 1 1    5   16   61 o   70.517   19.011   20.121   10.180   14.020   13.675   27.703   15.246   62.051   25.470   78.983   28.230 -16.93214 38.02203 
1 1 1    5   16   62 o   66.962   18.576   18.606   9.7829   17.230   13.334   20.209   14.397   65.266   25.712   68.658   26.816 -3.391838 37.15136 
1 1 1    5   17    1 o  262.737   6.4513  189.691   8.7745  175.495   14.384  198.104   11.073  254.753   10.449  270.721   7.5696 -15.96729 12.90257 
1 1 1    5   17    2 o  552.158   8.5044  822.132   22.012  829.730   44.004  819.596   25.421  553.701   14.707  550.615   8.5440 3.086060 17.00887 
1 1 1    5   17    3 f  434.417   9.3960  510.234   22.057   0.0000   0.0000  510.234   22.057  ?   ?   434.417   9.3960      ?      ? 
1 1 1    5   17    4 o  230.108   9.4831  143.161   11.791   0.0000   0.0000  143.161   11.791  ?   ?   230.108   9.4831      ?      ? 
1 1 1    5   17    5 o  810.185   14.442  1776.38   63.228   0.0000   0.0000  1776.38   63.228  ?   ?   810.185   14.442      ?      ? 
1 1 1    5   17    6 o  695.795   8.9377  1308.87   33.604   0.0000   0.0000  1308.87   33.604  ?   ?   695.795   8.9377      ?      ? 
1 1 1    5   17    7 o  988.913   17.046  2648.50   91.089   0.0000   0.0000  2648.50   91.089  ?   ?   988.913   17.046      ?      ? 
1 1 1    5   17    8 o  555.854   7.5099  835.186   22.557   0.0000   0.0000  835.186   22.557  ?   ?   555.854   7.5099      ?      ? 
1 1 1    5   17    9 o  626.130   9.4065  1060.02   31.826   0.0000   0.0000  1060.02   31.826  ?   ?   626.130   9.4065      ?      ? 
1 1 1    5   17   10 o  625.008   9.3564  1044.29   27.053  1081.76   55.501  1032.62   30.983  632.031   16.251  617.985   9.2780 14.04572 18.71274 
1 1 1    5   17   11 o  655.805   8.5127  1163.48   30.166  1161.76   42.772  1165.19   42.552  655.319   12.079  656.291   11.999 -0.9723511 17.02535 
1 1 1    5   17   12 o  903.344   11.157  2209.48   54.459  2195.28   76.655  2223.96   77.382  900.416   15.755  906.271   15.801 -5.854980 22.31351 
1 1 1    5   17   14 o  432.347   6.5296  505.435   15.254  504.186   21.699  506.656   21.447  431.816   9.2994  432.878   9.1686 -1.061218 13.05919 
1 1 1    5   17   15 o  376.312   6.2338  382.995   12.671  378.284   18.123  387.500   17.721  374.042   8.9667  378.581   8.6624 -4.538269 12.46753 
1 1 1    5   17   16 o  595.531   7.9385  959.374   25.546  960.231   36.244  958.529   36.012  595.793   11.258  595.269   11.195 0.5241699 15.87693 
1 1 1    5   17   17 o  243.616   8.5739  160.471   11.287   0.0000   0.0000  160.471   11.287  ?   ?   243.616   8.5739      ?      ? 
1 1 1    5   17   18 o  813.904   14.431  1793.93   63.470   0.0000   0.0000  1793.93   63.470  ?   ?   813.904   14.431      ?      ? 
1 1 1    5   17   19 o  518.448   10.213  727.125   28.612   0.0000   0.0000  727.125   28.612  ?   ?   518.448   10.213      ?      ? 
1 1 1    5   17   20 o  464.311   13.597  583.784   34.113   0.0000   0.0000  583.784   34.113  ?   ?   464.311   13.597      ?      ? 
1 1 1    5   17   21 o  668.052   8.7204  1207.22   31.468  1180.70   43.774  1235.58   45.269  660.471   12.265  675.633   12.399 -15.16180 17.44076 
1 1 1    5   17   22 o  299.076   12.313  242.117   19.899  242.117   19.899   0.0000   0.0000  299.076   12.313  ?   ?       ?      ? 
1 1 1    5   17   23 o  460.010   6.9068  572.375   17.157  574.779   24.748  570.149   23.806  460.930   9.9361  459.090   9.5963 1.839783 13.81360 
1 1 1    5   17   24 o  321.734   8.8603  279.976   15.404   0.0000   0.0000  279.976   15.404  ?   ?   321.734   8.8603      ?      ? 
1 1 1    5   17   25 o  268.939   8.9828  195.639   13.054   0.0000   0.0000  195.639   13.054  ?   ?   268.939   8.9828      ?      ? 
1 1 1    5   17   26 o  451.756   6.8655  551.221   16.744  524.803   23.120  580.363   24.282  440.392   9.7154  463.119   9.7031 -22.72656 13.73093 
1 1 1    5   17   28 o  316.847   8.7610  271.622   15.000   0.0000   0.0000  271.622   15.000  ?   ?   316.847   8.7610      ?      ? 
1 1 1    5   17   30 o  614.462   11.469  1023.51   38.080   0.0000   0.0000  1023.51   38.080  ?   ?   614.462   11.469      ?      ? 
1 1 1    5   17   31 o  258.128   6.3712  179.584   8.8501  189.219   13.252  171.826   11.891  264.332   9.2774  251.924   8.7347 12.40848 12.74231 
1 1 1    5   17   32 o  837.755   14.817  1908.34   67.077   0.0000   0.0000  1908.34   67.077  ?   ?   837.755   14.817      ?      ? 
1 1 1    5   17   33 o  363.072   8.7056  357.053   17.080   0.0000   0.0000  357.053   17.080  ?   ?   363.072   8.7056      ?      ? 
1 1 1    5   17   34 o  306.978   6.1220  255.751   10.139  244.450   14.528  266.483   14.157  300.325   8.9520  313.631   8.3533 -13.30560 12.24400 
1 1 1    5   17   35 o  479.763   6.9714  622.552   18.045  585.244   24.729  665.042   26.391  464.438   9.8536  495.088   9.8646 -30.64951 13.94282 
1 1 1    5   17   36 o  112.024   10.408   34.437   6.2047   33.185   9.5511   35.351   8.1614  110.144   16.047  113.903   13.260 -3.759369 20.81697 
1 1 1    5   17   37 o  253.920   7.9503  182.547   9.8977  157.883   17.644  193.873   11.956  240.484   13.577  267.356   8.2759 -26.87195 15.90069 
1 1 1    5   17   38 o   77.476   16.641   17.061   7.2434   14.721   13.412   18.025   8.6067   75.793   26.536   79.158   20.088 -3.364555 33.28161 
1 1 1    5   17   39 o  289.031   8.1741  228.281   12.496  224.775   19.726  230.631   16.150  286.906   12.724  291.156   10.265 -4.250366 16.34814 
1 1 1    5   17   40 o  223.944   7.1252  136.670   8.6060  138.722   11.865  134.392   12.502  225.778   9.7248  222.109   10.416 3.668961 14.25044 
1 1 1    5   17   41 o  153.734   7.7934   66.015   6.2893   57.112   9.7269   72.411   8.2447  144.393   12.466  163.074   9.3562 -18.68109 15.58687 
1 1 1    5   17   42 o  202.186   6.5554  111.906   7.0552  108.061   10.857  114.717   9.2822  199.011   10.096  205.362   8.3646 -6.351608 13.11071 
1 1 1    5   17   43 o  322.661   6.0001  284.131   10.433  269.677   15.059  297.475   14.469  314.641   8.8569  330.681   8.0971 -16.04004 12.00027 
1 1 1    5   17   44 o  161.485   7.6920   74.959   6.3820   54.664   9.7036   90.429   8.4723  140.846   12.750  182.123   8.6089 -41.27705 15.38396 
1 1 1    5   17   45 o  151.600   7.7635   64.524   6.1725   56.153   9.5846   70.457   8.0684  142.662   12.433  160.538   9.3008 -17.87518 15.52693 
1 1 1    5   17   46 o  300.097   7.5609  250.930   11.203  238.514   20.240  256.414   13.452  293.616   12.757  306.578   8.1198 -12.96271 15.12176 
1 1 1    5   17   47 o  138.590   9.2479   54.179   6.8010   43.769   9.7879   63.896   9.4569  125.086   14.481  152.095   11.507 -27.00931 18.49583 
1 1 1    5   17   48 o   40.972   12.503  -4.1000   5.7466 -14.5366   8.3828   5.1532   7.8932   31.164   15.210   50.780   19.849 -19.61572 25.00667 
1 1 1    5   17   49 o  201.927   6.7140  113.307   7.2293  104.074   10.866  120.640   9.6833  194.123   10.359  209.731   8.5442 -15.60860 13.42791 
1 1 1    5   17   50 o  145.008   7.9274   58.263   6.1246   59.263   9.5171   57.556   8.0016  145.748   12.084  144.268   10.264 1.479828 15.85489 
1 1 1    5   17   51 o   63.174   14.098   12.029   5.4703   9.0796   8.4599   14.149   7.1712   58.029   20.994   68.319   18.823 -10.28974 28.19675 
1 1 1    5   17   52 o  155.149   7.7961   67.726   6.4400   63.250   9.7806   71.153   8.5568  150.104   12.058  160.195   9.8849 -10.09123 15.59212 
1 1 1    5   17   53 o   40.175   12.659  -2.3717   5.5018   1.6140   8.6640  -5.0650   7.1221   45.990   19.656   34.360   15.959 11.62986 25.31895 
1 1 1    5   17   54 o  143.780   8.4002   56.956   6.4462   66.550   10.133   50.435   8.3547  153.567   12.211  133.993   11.539 19.57396 16.80049 
1 1 1    5   17   55 o  138.019   8.5487   53.328   6.3310   60.673   9.6686   47.814   8.3765  146.143   12.243  129.894   11.934 16.24921 17.09733 
1 1 1    5   17   56 o   55.777   14.810   8.5919   6.0034   8.4118   9.2898   8.7211   7.8668   56.202   21.654   55.352   20.211 0.8497696 29.62066 
1 1 1    5   17   57 o  100.584   12.208   30.594   6.4350   36.267   10.067   26.673   8.3680  108.912   17.105   92.256   17.424 16.65605 24.41697 
1 1 1    5   17   58 o   64.540   23.401   13.396   10.520   13.396   10.520   0.0000   0.0000   64.540   23.401  ?   ?       ?      ? 
1 1 1    5   17   59 o   45.862   15.251 -12.3374   10.436   3.7523   14.180 -31.3514   15.415   54.484   24.172   37.240   18.604 17.24444 30.50206 
1 1 1    5   17   60 o   71.711   18.421   21.014   10.364   32.342   14.107   7.7297   15.277   87.320   27.081   56.103   24.979 31.21751 36.84227 
1 1 1    5   17   61 o   92.748   19.222   36.015   10.229   34.437   13.894   37.883   15.115   91.331   26.560   94.165   27.794 -2.833710 38.44363 
1 1 1    5   18    0 o  460.897   7.9481  573.275   18.616  578.378   32.473  570.776   22.720  462.336   12.998  459.458   9.1510 2.878143 15.89629 
1 1 1    5   18    1 o  397.407   7.3117  422.544   14.637  439.640   26.161  414.753   17.660  403.131   12.009  391.682   8.3441 11.44913 14.62344 
1 1 1    5   18    2 o  470.061   9.3497  597.445   23.749   0.0000   0.0000  597.445   23.749  ?   ?   470.061   9.3497      ?      ? 
1 1 1    5   18    3 o  321.468   7.8403  279.361   13.619   0.0000   0.0000  279.361   13.619  ?   ?   321.468   7.8403      ?      ? 
1 1 1    5   18    4 o  953.805   11.741  2460.94   60.513   0.0000   0.0000  2460.94   60.513  ?   ?   953.805   11.741      ?      ? 
1 1 1    5   18    5 o  940.554   11.610  2392.98   59.010   0.0000   0.0000  2392.98   59.010  ?   ?   940.554   11.610      ?      ? 
1 1 1    5   18    6 o  489.580   6.9711  647.875   18.442   0.0000   0.0000  647.875   18.442  ?   ?   489.580   6.9711      ?      ? 
1 1 1    5   18    7 o  251.413   7.5985  170.865   10.323   0.0000   0.0000  170.865   10.323  ?   ?   251.413   7.5985      ?      ? 
1 1 1    5   18    8 o  1064.94   12.981  3068.73   74.697   0.0000   0.0000  3068.73   74.697  ?   ?   1064.94   12.981      ?      ? 
1 1 1    5   18    9 o  239.572   10.338  155.218   13.383   0.0000   0.0000  155.218   13.383  ?   ?   239.572   10.338      ?      ? 
1 1 1    5   18   10 o  209.831   6.7783  112.674   6.8535  133.243   13.602  105.674   7.9343  221.943   11.342  197.719   7.4263 24.22438 13.55655 
1 1 1    5   18   11 o  365.614   7.2274  360.449   13.433  364.640   23.433  358.398   16.393  367.133   11.812  364.095   8.3323 3.037598 14.45489 
1 1 1    5   18   12 o  174.557   10.824   82.418   10.210   82.418   10.210   0.0000   0.0000  174.557   10.824  ?   ?       ?      ? 
1 1 1    5   18   13 o  585.822   7.9261  928.414   25.091  925.849   35.459  930.987   35.508  585.011   11.217  586.633   11.201 -1.621948 15.85218 
1 1 1    5   18   17 o  304.573   8.8069  250.870   14.494   0.0000   0.0000  250.870   14.494  ?   ?   304.573   8.8069      ?      ? 
1 1 1    5   18   18 o  189.504   7.7310   97.191   7.7469  125.779   11.347   72.232   10.602  215.641   9.7379  163.367   12.010 52.27412 15.46190 
1 1 1    5   18   19 o  850.780   21.313  1966.44   97.982   0.0000   0.0000  1966.44   97.982  ?   ?   850.780   21.313      ?      ? 
1 1 1    5   18   20 o  232.618   7.2315  146.549   9.0260  124.613   12.565  169.938   12.974  214.594   10.836  250.643   9.5796 -36.04848 14.46296 
1 1 1    5   18   21 o  600.477   16.150  977.703   52.405  977.703   52.405   0.0000   0.0000  600.477   16.150  ?   ?       ?      ? 
1 1 1    5   18   22 o  360.146   6.6250  350.576   12.869  321.884   17.926  381.089   18.486  344.942   9.6173  375.351   9.1142 -30.40933 13.24994 
1 1 1    5   18   23 o  667.685   12.342  1207.15   44.529   0.0000   0.0000  1207.15   44.529  ?   ?   667.685   12.342      ?      ? 
1 1 1    5   18   25 o  375.595   6.5416  381.357   13.264  358.304   18.466  405.924   19.064  363.872   9.3916  387.317   9.1086 -23.44437 13.08316 
1 1 1    5   18   26 o  607.416   8.1879  997.852   26.851  964.968   37.037  1034.29   38.985  596.896   11.483  617.937   11.675 -21.04156 16.37585 
1 1 1    5   18   27 o  354.562   6.4692  340.296   12.393  338.291   17.616  342.260   17.439  353.523   9.2214  355.601   9.0757 -2.078033 12.93845 
1 1 1    5   18   28 o  573.750   7.8316  890.747   24.258  859.001   33.442  926.001   35.242  562.992   10.993  584.509   11.158 -21.51660 15.66318 
1 1 1    5   18   29 o  255.839   6.6483  177.816   9.1600  168.340   13.279  186.419   12.652  249.286   9.8577  262.392   8.9234 -13.10623 13.29669 
1 1 1    5   18   30 o  300.832   6.3140  245.504   10.240  237.676   14.855  252.591   14.135  296.227   9.2805  305.437   8.5639 -9.209473 12.62808 
1 1 1    5   18   31 o  283.865   6.2821  218.425   9.6248  214.581   13.881  221.985   13.357  281.437   9.1278  286.292   8.6339 -4.854797 12.56425 
1 1 1    5   18   32 o  120.400   13.731   39.445   8.9336   0.0000   0.0000   39.445   8.9336  ?   ?   120.400   13.731      ?      ? 
1 1 1    5   18   33 o  223.505   6.6714  135.990   8.0241  127.947   11.663  143.218   11.057  217.161   9.9392  229.850   8.9020 -12.68887 13.34289 
1 1 1    5   18   34 o  442.441   8.3911  540.369   18.872  508.108   32.274  557.133   23.265  431.737   13.834  453.146   9.5010 -21.40884 16.78227 
1 1 1    5   18   35 o  141.550   14.191   62.439   9.3091   39.212   15.426   75.743   11.675  116.409   25.249  166.691   12.961 -50.28172 28.38166 
1 1 1    5   18   36 o  202.716   9.8212  115.586   10.165  101.734   16.879  123.468   12.734  192.473   16.229  212.960   11.065 -20.48746 19.64249 
1 1 1    5   18   37 o  313.138   8.5405  270.151   14.260  247.072   21.422  288.513   19.108  300.728   13.182  325.548   10.862 -24.82037 17.08099 
1 1 1    5   18   38 o  287.219   8.3161  223.978   12.907   0.0000   0.0000  223.978   12.907  ?   ?   287.219   8.3161      ?      ? 
1 1 1    5   18   39 o  188.545   6.9634   96.507   7.0311   99.114   10.745   94.555   9.2982  190.674   10.428  186.417   9.2306 4.256836 13.92680 
1 1 1    5   18   40 o  101.080   11.568   29.994   5.8349   23.847   9.2685   34.030   7.5098   90.739   19.485  111.422   12.473 -20.68330 23.13513 
1 1 1    5   18   41 o  382.547   6.3240  398.817   13.057  392.277   18.841  404.860   18.111  379.444   9.1892  385.651   8.6909 -6.207245 12.64804 
1 1 1    5   18   42 o  165.860   7.4315   75.195   6.5796   75.469   10.129   74.994   8.6542  165.968   11.294  165.753   9.6623 0.2153931 14.86301 
1 1 1    5   18   43 o  345.367   6.1418  325.796   11.440  302.426   16.169  349.223   16.189  332.832   8.9900  357.903   8.3706 -25.07120 12.28362 
1 1 1    5   18   44 o   82.974   12.822   21.084   5.6136   14.275   8.9465   25.505   7.2095   70.080   21.539   95.868   13.917 -25.78819 25.64406 
1 1 1    5   18   45 o   77.200   13.638   18.039   5.6577   14.927   8.9433   20.116   7.3053   71.241   21.462   83.160   16.835 -11.91923 27.27673 
1 1 1    5   18   46 o  281.454   7.7293  220.012   10.441  215.158   19.898  221.857   12.266  277.938   13.249  284.970   7.9653 -7.031433 15.45865 
1 1 1    5   18   47 o  104.715   14.163   29.505   6.6186   38.198   14.375   27.166   7.4559  110.966   24.617   98.464   14.013 12.50221 28.32611 
1 1 1    5   18   48 f  106.782   11.740   33.287   6.5336   30.128   9.6646   35.946   8.8666  100.737   18.434  112.826   14.543 -12.08925 23.47988 
1 1 1    5   18   49 o   57.574   14.519   8.9846   5.6277   7.8098   9.2207   9.6820   7.1043   56.958   21.663   58.190   19.336 -1.231991 29.03781 
1 1 1    5   18   50 o   57.168   14.394   9.0112   5.5662   7.3372   9.0566   10.027   7.0563   55.648   21.397   58.688   19.260 -3.040279 28.78818 
1 1 1    5   18   51 o  118.298   9.9780   41.384   6.0387   33.844   9.6644   46.213   7.7344  107.963   16.566  128.634   11.127 -20.67146 19.95593 
1 1 1    5   18   52 o  109.487   11.198   37.362   5.9679   25.821   9.2473   45.599   7.8126   91.476   19.314  127.498   11.340 -36.02269 22.39675 
1 1 1    5   18   53 o   74.223   14.205   17.055   5.7619   18.612   9.0332   15.987   7.4815   76.630   21.131   71.817   18.989 4.812790 28.40956 
1 1 1    5   18   54 f  169.367   7.6403   81.443   6.8867   74.864   10.410   86.564   9.1837  162.554   11.851  176.179   9.6466 -13.62456 15.28062 
1 1 1    5   18   55 o  112.411   10.865   36.035   6.4989   45.725   10.192   29.395   8.4367  124.932   15.097   99.889   15.630 25.04233 21.73069 
1 1 1    5   18   56 o   31.946   10.982 -11.6783   5.8150  -9.4848   9.1014 -13.1913   7.5590   35.148   16.828   28.745   14.115 6.403561 21.96391 
1 1 1    5   18   57 f   61.317   17.597   10.175   8.6957   10.600   10.405   9.1914   15.834   60.000   22.967   62.634   26.666 -2.634098 35.19325 
1 1 1    5   18   58 o   79.973   18.313   24.041   10.298   36.667   14.036   9.3176   15.156   99.464   25.870   60.481   25.928 38.98297 36.62654 
1 1 1    5   18   59 o   71.786   18.947   21.892   10.358   28.964   14.274   14.027   15.053   81.667   27.413   61.906   26.162 19.76069 37.89363 
1 1 1    5   18   60 o   45.730   14.702   0.7191   7.3967   1.6203   13.389   0.3232   8.8738   49.500   22.581   41.960   18.834 7.540039 29.40401 
1 1 1    5   19    0 o   97.434   12.264   26.834   6.0133   23.964   9.8796   28.522   7.5788   92.211   20.371  102.658   13.662 -10.44708 24.52808 
1 1 1    5   19    1 o  556.303   8.4911  852.982   22.933  801.126   42.594  874.150   27.214  544.005   14.489  568.601   8.8571 -24.59589 16.98215 
1 1 1    5   19    2 o  603.725   8.1388  985.377   26.551   0.0000   0.0000  985.377   26.551  ?   ?   603.725   8.1388      ?      ? 
1 1 1    5   19    3 o  430.508   9.9850  501.216   23.228   0.0000   0.0000  501.216   23.228  ?   ?   430.508   9.9850      ?      ? 
1 1 1    5   19    4 o  583.077   7.9247  919.111   24.969   0.0000   0.0000  919.111   24.969  ?   ?   583.077   7.9247      ?      ? 
1 1 1    5   19    5 o  556.767   7.6744  838.014   23.089   0.0000   0.0000  838.014   23.089  ?   ?   556.767   7.6744      ?      ? 
1 1 1    5   19    6 o  755.775   11.170  1545.18   45.619   0.0000   0.0000  1545.18   45.619  ?   ?   755.775   11.170      ?      ? 
1 1 1    5   19    7 o  569.836   7.8012  877.861   24.021   0.0000   0.0000  877.861   24.021  ?   ?   569.836   7.8012      ?      ? 
1 1 1    5   19    8 o  625.216   8.3506  1056.90   28.212   0.0000   0.0000  1056.90   28.212  ?   ?   625.216   8.3506      ?      ? 
1 1 1    5   19    9 o  155.245   10.368   65.194   8.6978   0.0000   0.0000   65.194   8.6978  ?   ?   155.245   10.368      ?      ? 
1 1 1    5   19   10 o  279.185   6.7541  212.885   9.0279  206.329   17.292  215.342   10.585  276.132   11.589  282.238   6.9405 -6.105804 13.50826 
1 1 1    5   19   11 o  328.700   6.8759  290.218   10.657  296.396   21.178  288.124   12.332  330.936   11.843  326.463   6.9904 4.473358 13.75190 
1 1 1    5   19   12 o  408.738   7.8223  454.679   16.698  441.667   27.180  462.568   21.163  403.932   12.452  413.544   9.4705 -9.611481 15.64463 
1 1 1    5   19   18 o  355.517   13.453  342.342   25.844   0.0000   0.0000  342.342   25.844  ?   ?   355.517   13.453      ?      ? 
1 1 1    5   19   19 o  284.985   14.004  220.023   21.566   0.0000   0.0000  220.023   21.566  ?   ?   284.985   14.004      ?      ? 
1 1 1    5   19   20 o   52.565   16.313  -3.7538   8.7008   0.1816   13.989  -6.2368   11.112   59.079   25.107   46.051   20.835 13.02806 32.62601 
1 1 1    5   19   22 o  207.825   7.7409  116.807   8.6776  119.191   12.710  114.725   11.876  209.798   11.212  205.852   10.676 3.946350 15.48188 
1 1 1    5   19   23 f  268.832   6.7464  195.827   9.7880  187.383   13.974  203.960   13.714  263.122   9.8284  274.542   9.2443 -11.41953 13.49275 
1 1 1    5   19   24 o  380.103   9.2310  391.007   18.960   0.0000   0.0000  391.007   18.960  ?   ?   380.103   9.2310      ?      ? 
1 1 1    5   19   25 o   93.789   14.314   24.926   7.0281   24.489   10.307   25.306   9.6086   92.914   21.019   94.665   19.435 -1.750526 28.62742 
1 1 1    5   19   26 o  571.553   7.8700  883.154   24.271  843.093   33.247  928.865   35.514  557.727   11.032  585.378   11.227 -27.65021 15.73997 
1 1 1    5   19   27 o  149.206   9.4836   61.000   7.4992   46.857   10.497   75.741   10.717  131.301   14.795  167.111   11.868 -35.80962 18.96712 
1 1 1    5   19   28 o  383.450   6.4956  397.914   13.452  380.766   18.749  416.108   19.312  374.936   9.2539  391.965   9.1178 -17.02866 12.99111 
1 1 1    5   19   29 o  306.029   8.8449  253.686   14.627   0.0000   0.0000  253.686   14.627  ?   ?   306.029   8.8449      ?      ? 
1 1 1    5   19   30 o  264.209   6.5608  188.864   9.3338  193.285   13.861  185.197   12.625  267.001   9.6072  261.417   8.9375 5.584595 13.12166 
1 1 1    5   19   31 f  190.003   9.8182   93.239   8.8912  109.279   17.910   87.993   10.242  199.960   16.576  180.046   10.528 19.91309 19.63647 
1 1 1    5   19   32 o  347.390   8.9886  328.825   16.694  326.126   25.477  330.856   22.099  345.948   13.628  348.833   11.724 -2.885223 17.97724 
1 1 1    5   19   33 o  376.052   9.0723  385.921   18.301  380.405   27.483  390.315   24.531  373.431   13.620  378.672   11.989 -5.240112 18.14461 
1 1 1    5   19   34 o  377.611   9.1146  390.791   18.515  356.081   26.551  423.649   25.832  361.003   13.611  394.220   12.127 -33.21738 18.22911 
1 1 1    5   19   35 f  398.508   12.119  433.108   26.096   0.0000   0.0000  433.108   26.096  ?   ?   398.508   12.119      ?      ? 
1 1 1    5   19   36 o  289.774   6.3197  228.740   9.8469  220.865   14.520  235.444   13.398  285.056   9.4267  294.492   8.4196 -9.436249 12.63935 
1 1 1    5   19   37 o  128.155   9.5060   45.164   6.4421   44.195   10.155   45.816   8.3335  126.809   14.820  129.501   11.909 -2.692657 19.01197 
1 1 1    5   19   38 o  420.960   9.0739  482.337   20.641   0.0000   0.0000  482.337   20.641  ?   ?   420.960   9.0739      ?      ? 
1 1 1    5   19   39 o  329.027   8.3793  294.483   14.898   0.0000   0.0000  294.483   14.898  ?   ?   329.027   8.3793      ?      ? 
1 1 1    5   19   40 o  301.022   8.2701  246.569   13.452   0.0000   0.0000  246.569   13.452  ?   ?   301.022   8.2701      ?      ? 
1 1 1    5   19   41 o   64.618   13.574   11.964   5.7197   2.6466   8.9677   18.354   7.4264   49.765   20.548   79.472   17.742 -29.70670 27.14830 
1 1 1    5   19   42 o  124.692   9.2246   42.340   6.1295   46.727   9.6651   39.389   7.9277  129.854   13.774  119.531   12.274 10.32305 18.44921 
1 1 1    5   19   43 o  106.010   10.553   29.904   5.9032   40.251   9.5656   23.539   7.5022  120.186   14.729   91.834   15.118 28.35161 21.10678 
1 1 1    5   19   44 o  227.475   6.5188  142.918   7.9228  131.954   11.844  151.796   10.658  219.243   9.9976  235.707   8.3682 -16.46449 13.03755 
1 1 1    5   19   45 o  221.784   6.5885  136.586   7.7754  123.969   11.728  146.480   10.386  212.183   10.229  231.385   8.3067 -19.20258 13.17692 
1 1 1    5   19   46 o   97.815   12.216   28.379   6.0278   25.346   9.7809   30.237   7.6542   91.705   20.276  103.924   13.630 -12.21906 24.43163 
1 1 1    5   19   47 o  191.820   9.5223  108.645   8.2717   93.086   16.484  113.881   9.5628  180.020   16.946  203.620   8.6911 -23.59985 19.04461 
1 1 1    5   19   48 o  200.261   7.0999  111.430   7.5336  107.733   11.759  114.005   9.8118  196.952   11.049  203.570   8.9196 -6.618301 14.19970 
1 1 1    5   19   49 o   52.410   14.642   5.5914   6.2275   2.6421   9.3049   7.9842   8.3813   49.037   20.638   55.784   20.774 -6.746933 29.28303 
1 1 1    5   19   50 f  130.077   9.1757   45.996   6.3197   58.479   10.238   38.312   8.0328  143.684   13.186  116.469   12.763 27.21489 18.35146 
1 1 1    5   19   51 o  295.964   6.3339  240.670   10.043  254.852   15.403  230.180   13.247  303.142   9.4028  288.785   8.4888 14.35779 12.66781 
1 1 1    5   19   52 o   52.212   14.523   6.1143   5.9041   6.4560   9.4267   5.8937   7.5734   54.057   21.516   50.367   19.511 3.690014 29.04530 
1 1 1    5   19   53 o  229.198   6.7635  147.385   8.2910  138.959   12.421  154.156   11.135  222.667   10.323  235.730   8.7414 -13.06371 13.52697 
1 1 1    5   19   54 o  223.641   8.9482  139.284   10.814   0.0000   0.0000  139.284   10.814  ?   ?   223.641   8.9482      ?      ? 
1 1 1    5   19   55 o  122.724   10.152   44.122   6.6948   47.413   10.128   41.568   8.9223  126.415   14.826  119.032   13.872 7.383850 20.30337 
1 1 1    5   19   56 f  154.083   13.999   75.058   11.481   82.477   15.653   66.419   16.891  164.639   17.595  143.527   21.778 21.11169 27.99763 
1 1 1    5   19   57 o   60.641   17.958   9.6237   9.8415   4.3041   12.829   17.232   15.342   52.920   23.255   68.363   27.370 -15.44225 35.91512 
1 1 1    5   19   58 o   90.611   19.267   33.626   10.072   29.617   13.084   39.459   15.781   85.411   26.010   95.811   28.430 -10.39944 38.53316 
1 1 1    5   19   59 f   57.686   15.512   11.635   7.1582   4.0225   12.148   15.684   8.8599   50.054   22.281   65.318   21.588 -15.26392 31.02416 
1 1 1    5   20    0 o  219.191   6.9459  125.994   7.4104  139.077   14.258  121.153   8.6739  226.698   11.640  211.684   7.5829 15.01335 13.89175 
1 1 1    5   20    1 o  585.220   8.0106  926.040   25.332   0.0000   0.0000  926.040   25.332  ?   ?   585.220   8.0106      ?      ? 
1 1 1    5   20    2 o  241.435   6.4930  157.572   8.4709   0.0000   0.0000  157.572   8.4709  ?   ?   241.435   6.4930      ?      ? 
1 1 1    5   20    3 o  247.910   6.6742  166.143   8.9409   0.0000   0.0000  166.143   8.9409  ?   ?   247.910   6.6742      ?      ? 
1 1 1    5   20    4 o  259.366   6.6226  181.851   9.2818   0.0000   0.0000  181.851   9.2818  ?   ?   259.366   6.6226      ?      ? 
1 1 1    5   20    5 o  250.949   6.7974  170.244   9.2176   0.0000   0.0000  170.244   9.2176  ?   ?   250.949   6.7974      ?      ? 
1 1 1    5   20    6 o  273.182   6.6333  201.742   9.7920   0.0000   0.0000  201.742   9.7920  ?   ?   273.182   6.6333      ?      ? 
1 1 1    5   20    7 o  329.189   6.6240  292.940   11.783   0.0000   0.0000  292.940   11.783  ?   ?   329.189   6.6240      ?      ? 
1 1 1    5   20    8 o  120.157   12.204   39.077   7.9236   0.0000   0.0000   39.077   7.9236  ?   ?   120.157   12.204      ?      ? 
1 1 1    5   20    9 o  205.895   7.8188  114.621   8.6991   0.0000   0.0000  114.621   8.6991  ?   ?   205.895   7.8188      ?      ? 
1 1 1    5   20   10 o  660.699   12.737  1181.71   45.474   0.0000   0.0000  1181.71   45.474  ?   ?   660.699   12.737      ?      ? 
1 1 1    5   20   11 o  422.555   8.0963  470.634   16.934  514.414   31.593  452.986   20.058  435.857   13.414  409.253   9.0701 26.60361 16.19253 
1 1 1    5   20   12 o  583.453   9.2279  900.649   24.681  961.937   51.682  882.543   28.091  595.683   16.056  571.221   9.1007 24.46198 18.45589 
1 1 1    5   20   13 o  395.982   6.8291  423.701   14.604  439.511   21.090  409.136   20.242  403.069   9.6829  388.894   9.6325 14.17520 13.65810 
1 1 1    5   20   14 o  181.398   12.733   89.103   12.481   0.0000   0.0000   89.103   12.481  ?   ?   181.398   12.733      ?      ? 
1 1 1    5   20   16 o  239.568   8.0407  154.458   10.251  195.029   15.145  120.164   13.924  268.466   10.440  210.670   12.232 57.79588 16.08136 
1 1 1    5   20   17 o  576.227   16.671  900.901   51.909   0.0000   0.0000  900.901   51.909  ?   ?   576.227   16.671      ?      ? 
1 1 1    5   20   18 o  431.212   14.829  504.279   34.554   0.0000   0.0000  504.279   34.554  ?   ?   431.212   14.829      ?      ? 
1 1 1    5   20   19 o  531.428   15.147  766.216   43.496  766.216   43.496   0.0000   0.0000  531.428   15.147  ?   ?       ?      ? 
1 1 1    5   20   20 o  312.670   7.9696  269.807   12.985  244.144   20.812  286.165   16.616  300.157   12.831  325.184   9.4562 -25.02682 15.93927 
1 1 1    5   20   22 o  195.646   7.9526  103.722   8.4039   99.799   11.843  107.703   11.928  191.910   11.420  199.382   11.071 -7.472336 15.90527 
1 1 1    5   20   23 o  520.939   10.594  735.309   29.822   0.0000   0.0000  735.309   29.822  ?   ?   520.939   10.594      ?      ? 
1 1 1    5   20   24 o  485.398   10.161  638.335   26.651   0.0000   0.0000  638.335   26.651  ?   ?   485.398   10.161      ?      ? 
1 1 1    5   20   26 o  202.980   7.7023  111.928   8.4147   99.929   11.843  124.162   11.958  191.936   11.419  214.023   10.340 -22.08621 15.40465 
1 1 1    5   20   27 o  392.997   6.7015  418.594   14.227  405.300   20.050  432.075   20.191  386.697   9.5954  399.297   9.3578 -12.59979 13.40300 
1 1 1    5   20   28 o  257.458   9.9300  180.216   13.627  182.005   21.124  178.941   17.834  258.392   15.129  256.523   12.866 1.868744 19.85996 
1 1 1    5   20   29 o  145.590   14.388   56.311   10.949   66.014   18.475   51.059   13.593  154.701   22.100  136.480   18.431 18.22066 28.77697 
1 1 1    5   20   30 f  252.589   10.109  176.997   13.437  159.234   20.937  189.437   17.521  241.317   16.056  263.862   12.288 -22.54428 20.21893 
1 1 1    5   20   31 o  337.090   9.3032  312.258   16.808  278.829   24.422  342.342   23.168  319.576   14.142  354.603   12.091 -35.02744 18.60632 
1 1 1    5   20   32 o  376.164   6.5765  383.833   13.359  365.740   18.542  403.359   19.262  366.948   9.3512  385.380   9.2498 -18.43198 13.15307 
1 1 1    5   20   33 o   58.000   14.864   5.1577   6.5624   14.614   9.9113  -2.2240   8.7567   72.524   22.734   43.476   19.156 29.04786 29.72842 
1 1 1    5   20   34 o  159.288   8.5365   70.802   7.1736   56.163   10.502   83.605   9.8219  143.297   13.563  175.279   10.370 -31.98212 17.07303 
1 1 1    5   20   35 f   59.264   14.864   7.3179   6.1940   13.785   9.4601   2.4649   8.1949   70.373   22.232   48.155   19.736 22.21848 29.72793 
1 1 1    5   20   36 o  167.557   7.9187   77.180   7.0452   73.888   10.901   79.540   9.2324  164.285   12.280  170.829   10.002 -6.544632 15.83734 
1 1 1    5   20   37 o  280.952   6.4057  215.728   9.6880  201.046   13.985  229.274   13.433  271.611   9.5286  290.292   8.5637 -18.68140 12.81135 
1 1 1    5   20   38 o  180.906   7.4857   88.505   7.2520   96.152   11.185   82.959   9.5257  187.488   11.040  174.323   10.112 13.16454 14.97134 
1 1 1    5   20   39 o   39.734   12.609  -7.8357   5.9115   2.7515   9.1713 -15.3610   7.7321   50.432   20.798   29.036   14.261 21.39640 25.21769 
1 1 1    5   20   40 o  254.276   6.4813  178.388   8.8134  157.203   12.868  197.106   12.096  239.670   9.9360  268.881   8.3250 -29.21080 12.96266 
1 1 1    5   20   41 o  147.582   8.3739   60.001   6.5568   60.023   10.291   59.987   8.5071  147.332   12.926  147.833   10.649 -0.5005493 16.74782 
1 1 1    5   20   42 o   88.372   13.057   22.487   5.9771   26.107   9.2955   19.936   7.8043   94.310   18.899   82.434   18.023 11.87560 26.11473 
1 1 1    5   20   43 o  133.212   8.9676   48.429   6.3509   53.988   10.113   44.808   8.1609  139.190   13.445  127.233   11.870 11.95699 17.93525 
1 1 1    5   20   44 o   43.801   13.474  -0.3077   5.8013   0.1039   9.4006  -0.5608   7.3726   46.734   20.229   40.869   17.802 5.865280 26.94704 
1 1 1    5   20   45 o  305.661   8.4500  256.167   13.957   0.0000   0.0000  256.167   13.957  ?   ?   305.661   8.4500      ?      ? 
1 1 1    5   20   46 o   49.336   13.917   4.2338   5.7585  -0.6829   9.3187   7.2712   7.3243   45.282   19.861   53.390   19.501 -8.107967 27.83423 
1 1 1    5   20   47 f  328.018   8.5650  295.792   15.181   0.0000   0.0000  295.792   15.181  ?   ?   328.018   8.5650      ?      ? 
1 1 1    5   20   48 o   39.885   13.358  -6.8429   6.6719 -20.5450   14.945  -3.4321   7.4562   42.590   20.678   37.181   16.918 5.409286 26.71693 
1 1 1    5   20   49 o  126.546   11.680   48.692   7.2003   29.365   10.159   68.198   10.206   97.478   19.959  155.614   12.138 -58.13541 23.36003 
1 1 1    5   20   50 o  204.260   7.7149  116.710   8.5114  116.222   11.848  117.230   12.236  203.920   10.752  204.600   11.067 -0.6797485 15.42987 
1 1 1    5   20   51 o  189.677   7.3335  101.068   7.3708   97.744   11.493  103.390   9.6063  186.345   11.414  193.008   9.2107 -6.662613 14.66696 
1 1 1    5   20   52 o  118.169   10.522   40.824   6.5989   39.649   10.225   41.662   8.6390  115.830   16.336  120.507   13.267 -4.676834 21.04431 
1 1 1    5   20   53 o  235.426   6.8875  156.351   8.7078  146.467   12.766  164.951   11.908  227.845   10.369  243.008   9.0684 -15.16328 13.77500 
1 1 1    5   20   54 o   39.190   13.521 -15.7388   8.1785 -19.4443   9.9072  -7.8108   14.491   31.437   15.571   46.943   22.110 -15.50558 27.04292 
1 1 1    5   20   55 o  148.738   13.985   68.637   11.181   62.748   14.915   76.194   16.896  141.851   19.458  155.625   20.091 -13.77454 27.96910 
1 1 1    5   20   56 o   94.112   19.063   35.460   10.315   28.851   14.064   43.153   15.175   83.584   27.179  104.640   26.738 -21.05611 38.12660 
1 1 1    5   20   57 o  103.569   14.805   34.251   7.6365   47.703   13.523   27.953   9.2530  116.102   22.367   91.037   19.403 25.06487 29.60980 
1 1 1    5   20   58 o   57.540   15.402   11.172   6.5445   15.701   10.178   7.9800   8.5454   63.934   23.043   51.146   20.444 12.78785 30.80494 
1 1 1    5   21    0 o  656.322   10.440  1161.21   34.790  1184.01   60.940  1150.19   42.373  660.776   17.067  651.868   12.029 8.907715 20.88049 
1 1 1    5   21    1 o  202.948   14.002  111.558   15.356   0.0000   0.0000  111.558   15.356  ?   ?   202.948   14.002      ?      ? 
1 1 1    5   21    2 o  618.707   12.309  1036.26   41.152   0.0000   0.0000  1036.26   41.152  ?   ?   618.707   12.309      ?      ? 
1 1 1    5   21    3 o  774.089   9.9613  1621.05   41.667   0.0000   0.0000  1621.05   41.667  ?   ?   774.089   9.9613      ?      ? 
1 1 1    5   21    4 o  489.493   7.3867  647.833   19.538   0.0000   0.0000  647.833   19.538  ?   ?   489.493   7.3867      ?      ? 
1 1 1    5   21    5 o  142.170   10.135   54.685   7.7863   0.0000   0.0000   54.685   7.7863  ?   ?   142.170   10.135      ?      ? 
1 1 1    5   21    6 o  308.844   7.7207  257.922   12.885   0.0000   0.0000  257.922   12.885  ?   ?   308.844   7.7207      ?      ? 
1 1 1    5   21    7 o  293.444   8.8881  232.905   14.094   0.0000   0.0000  232.905   14.094  ?   ?   293.444   8.8881      ?      ? 
1 1 1    5   21    8 o  472.231   9.8215  603.314   25.062   0.0000   0.0000  603.314   25.062  ?   ?   472.231   9.8215      ?      ? 
1 1 1    5   21    9 o  345.245   8.9025  322.391   16.608   0.0000   0.0000  322.391   16.608  ?   ?   345.245   8.9025      ?      ? 
1 1 1    5   21   10 o  924.556   16.536  2318.20   82.611   0.0000   0.0000  2318.20   82.611  ?   ?   924.556   16.536      ?      ? 
1 1 1    5   21   11 o  437.191   7.9662  516.877   18.820   0.0000   0.0000  516.877   18.820  ?   ?   437.191   7.9662      ?      ? 
1 1 1    5   21   12 o  729.800   11.576  1423.99   42.133  1498.42   76.878  1392.04   50.371  742.705   19.156  716.895   13.003 25.81024 23.15187 
1 1 1    5   21   13 o  477.099   8.2169  608.779   18.355  631.531   37.000  601.352   21.140  482.684   14.186  471.513   8.2969 11.17093 16.43379 
1 1 1    5   21   15 o  379.966   7.0870  390.837   14.543  389.126   20.881  392.450   20.268  379.147   10.192  380.786   9.8500 -1.639374 14.17390 
1 1 1    5   21   16 o  472.214   14.412  604.730   36.775   0.0000   0.0000  604.730   36.775  ?   ?   472.214   14.412      ?      ? 
1 1 1    5   21   17 o  449.809   13.970  548.649   33.955   0.0000   0.0000  548.649   33.955  ?   ?   449.809   13.970      ?      ? 
1 1 1    5   21   18 o  208.873   14.092  118.356   15.906  118.356   15.906   0.0000   0.0000  208.873   14.092  ?   ?       ?      ? 
1 1 1    5   21   19 o  263.085   8.0486  184.563   11.039  198.829   18.489  176.660   13.762  270.765   12.637  255.406   9.9712 15.35971 16.09715 
1 1 1    5   21   20 o   78.321   16.651   16.970   7.6177   16.996   10.680   16.944   10.869   78.314   23.422   78.328   23.674 -0.1449585E-01 33.30228 
1 1 1    5   21   21 o  182.376   8.6378   89.956   8.4964   94.496   12.496   86.052   11.587  186.633   12.390  178.120   12.039 8.513077 17.27561 
1 1 1    5   21   22 o  565.941   11.188  868.403   34.213   0.0000   0.0000  868.403   34.213  ?   ?   565.941   11.188      ?      ? 
1 1 1    5   21   23 o  508.590   10.534  701.184   28.950   0.0000   0.0000  701.184   28.950  ?   ?   508.590   10.534      ?      ? 
1 1 1    5   21   24 o  282.879   14.896  217.793   22.770  217.793   22.770   0.0000   0.0000  282.879   14.896  ?   ?       ?      ? 
1 1 1    5   21   25 o  456.320   10.282  567.342   25.334  541.441   35.828  593.243   35.828  445.816   14.872  466.825   14.203 -21.00812 20.56482 
1 1 1    5   21   26 o  113.284   19.454   38.355   11.781   29.414   18.682   44.257   15.180  101.891   31.093  124.677   23.390 -22.78618 38.90835 
1 1 1    5   21   27 o  475.028   10.432  615.782   26.753  583.558   37.713  648.423   37.957  462.408   15.093  487.648   14.404 -25.24026 20.86340 
1 1 1    5   21   28 o  514.766   9.1438  706.847   23.826  680.617   28.763  764.189   42.528  500.535   10.634  528.996   14.878 -28.46112 18.28760 
1 1 1    5   21   29 o  103.701   13.463   30.286   7.2215   44.966   10.682   17.928   9.8004  128.175   15.422   79.228   22.072 48.94749 26.92586 
1 1 1    5   21   30 o  247.360   6.9826  167.894   9.2433  149.329   13.515  184.211   12.670  234.264   10.676  260.456   9.0023 -26.19225 13.96514 
1 1 1    5   21   31 o  458.198   9.7053  570.659   24.030   0.0000   0.0000  570.659   24.030  ?   ?   458.198   9.7053      ?      ? 
1 1 1    5   21   32 o  121.561   10.707   40.038   6.9710   48.347   10.470   33.421   9.3433  132.816   14.588  110.306   15.675 22.50997 21.41316 
1 1 1    5   21   33 o  463.843   9.7312  585.542   24.391   0.0000   0.0000  585.542   24.391  ?   ?   463.843   9.7312      ?      ? 
1 1 1    5   21   34 o   69.072   14.918   11.353   6.6122   22.387   10.224   3.4202   8.6691   87.562   21.715   50.582   20.459 36.97944 29.83518 
1 1 1    5   21   35 o  133.758   14.687   49.329   10.615   49.329   10.615   0.0000   0.0000  133.758   14.687  ?   ?       ?      ? 
1 1 1    5   21   36 o  223.604   6.8416  136.834   8.2307  130.098   12.026  142.769   11.289  218.294   10.195  228.913   9.1264 -10.61952 13.68314 
1 1 1    5   21   37 o   78.138   14.523   17.141   6.3400   24.623   9.6806   11.522   8.3895   91.800   20.074   64.477   20.993 27.32341 29.04622 
1 1 1    5   21   38 o  213.007   6.9865  125.318   7.9584  112.304   11.709  136.491   10.850  202.400   10.706  223.613   8.9790 -21.21254 13.97294 
1 1 1    5   21   39 o  140.431   8.9416   54.445   6.7270   54.578   10.202   54.342   8.9480  140.384   13.448  140.478   11.788 -0.9408569E-01 17.88314 
1 1 1    5   21   40 o  205.108   9.1906  115.081   10.186   0.0000   0.0000  115.081   10.186  ?   ?   205.108   9.1906      ?      ? 
1 1 1    5   21   41 f   82.442   14.190   20.528   6.2329   18.446   9.6095   22.040   8.1892   78.309   21.870   86.574   18.088 -8.264412 28.38060 
1 1 1    5   21   42 f  297.364   8.5082  242.100   13.671   0.0000   0.0000  242.100   13.671  ?   ?   297.364   8.5082      ?      ? 
1 1 1    5   21   43 o  185.173   7.5355   94.950   7.4213   93.257   11.498   96.159   9.7161  183.379   11.604  186.966   9.6170 -3.586563 15.07090 
1 1 1    5   21   44 o  163.299   10.144   73.677   8.9515   0.0000   0.0000   73.677   8.9515  ?   ?   163.299   10.144      ?      ? 
1 1 1    5   21   45 o   75.195   14.774   17.308   6.1411   17.297   9.7398   17.315   7.9120   74.880   22.361   75.511   19.313 -0.6306305 29.54712 
1 1 1    5   21   46 o  160.547   8.2263   73.495   6.9479   63.718   10.656   80.724   9.1635  150.349   13.117  170.745   9.9317 -20.39622 16.45250 
1 1 1    5   21   47 o  107.066   11.166   32.599   6.3066   35.365   10.228   30.903   8.0108  110.037   17.201  104.095   14.241 5.941673 22.33155 
1 1 1    5   21   48 o   46.242   14.442  -0.1240   6.9066 -20.5383   16.033   4.5271   7.6531   44.243   21.466   48.240   19.324 -3.996410 28.88304 
1 1 1    5   21   49 f  107.645   15.980   43.111   7.6307   24.932   16.611   47.973   8.5908   84.903   29.543  130.388   12.193 -45.48476 31.95989 
1 1 1    5   21   50 o  139.144   10.311   56.316   7.6523   46.074   10.719   66.959   10.928  125.350   15.826  152.938   13.223 -27.58811 20.62252 
1 1 1    5   21   51 o   44.829   13.904  -0.0197   6.3962   2.7648   9.8562  -2.0455   8.4069   49.110   20.977   40.547   18.254 8.562866 27.80730 
1 1 1    5   21   52 o   82.144   18.281   20.697   8.6327   13.497   10.250   38.266   16.012   64.130   23.123  100.158   28.322 -36.02827 36.56214 
1 1 1    5   21   53 o   61.730   18.073   9.2297   10.220   15.552   13.916   1.8282   15.057   68.496   26.472   54.964   24.611 13.53167 36.14508 
1 1 1    5   21   54 o  240.304   10.926  172.088   14.145  181.239   19.696  162.342   20.326  247.959   14.700  232.649   16.168 15.30983 21.85171 
1 1 1    5   21   55 o   71.650   19.393   21.907   10.675   15.115   14.459   30.045   15.828   62.745   26.015   80.556   28.767 -17.81083 38.78532 
1 1 1    5   21   56 o  140.556   9.8977   59.804   7.3303   57.018   11.492   61.715   9.5178  136.008   15.637  145.104   12.139 -9.095596 19.79536 
1 1 1    5   21   57 o   80.150   14.877   24.874   6.8504   17.220   10.574   30.409   8.9929   65.637   23.505   94.663   18.242 -29.02628 29.75319 
1 1 1    5   22    0 o  149.803   10.382   60.726   8.4041   0.0000   0.0000   60.726   8.4041  ?   ?   149.803   10.382      ?      ? 
1 1 1    5   22    1 o  406.266   9.3842  446.510   20.601   0.0000   0.0000  446.510   20.601  ?   ?   406.266   9.3842      ?      ? 
1 1 1    5   22    2 o  252.260   9.2397  172.146   12.595   0.0000   0.0000  172.146   12.595  ?   ?   252.260   9.2397      ?      ? 
1 1 1    5   22    3 o  457.350   8.3249  565.722   20.574   0.0000   0.0000  565.722   20.574  ?   ?   457.350   8.3249      ?      ? 
1 1 1    5   22    4 o  433.462   11.009  508.585   25.786   0.0000   0.0000  508.585   25.786  ?   ?   433.462   11.009      ?      ? 
1 1 1    5   22    5 o  251.558   7.6333  171.133   10.376   0.0000   0.0000  171.133   10.376  ?   ?   251.558   7.6333      ?      ? 
1 1 1    5   22    6 o  374.689   6.9041  379.613   13.979   0.0000   0.0000  379.613   13.979  ?   ?   374.689   6.9041      ?      ? 
1 1 1    5   22    7 o  249.451   7.5312  168.288   10.152   0.0000   0.0000  168.288   10.152  ?   ?   249.451   7.5312      ?      ? 
1 1 1    5   22    8 o  351.599   6.9182  334.289   13.144   0.0000   0.0000  334.289   13.144  ?   ?   351.599   6.9182      ?      ? 
1 1 1    5   22    9 o  157.359   10.256   67.030   8.7209   0.0000   0.0000   67.030   8.7209  ?   ?   157.359   10.256      ?      ? 
1 1 1    5   22   10 o  334.868   8.8979  303.410   16.101   0.0000   0.0000  303.410   16.101  ?   ?   334.868   8.8979      ?      ? 
1 1 1    5   22   11 o  773.496   13.889  1622.14   58.052   0.0000   0.0000  1622.14   58.052  ?   ?   773.496   13.889      ?      ? 
1 1 1    5   22   12 f  623.914   10.242  1056.29   32.508  1054.50   56.419  1057.17   39.773  623.110   16.756  624.717   11.782 -1.607666 20.48378 
1 1 1    5   22   13 o  463.223   8.5688  577.588   20.016  592.117   35.569  570.855   24.214  467.222   14.088  459.224   9.7579 7.997803 17.13753 
1 1 1    5   22   14 o  417.740   13.702  473.423   30.930  473.423   30.930   0.0000   0.0000  417.740   13.702  ?   ?       ?      ? 
1 1 1    5   22   15 o  317.558   8.3749  275.115   13.701  279.259   17.053  267.568   23.014  321.121   9.8275  313.996   13.564 7.124908 16.74979 
1 1 1    5   22   16 o  534.219   15.215  775.676   43.922   0.0000   0.0000  775.676   43.922  ?   ?   534.219   15.215      ?      ? 
1 1 1    5   22   17 o  116.399   14.097   37.396   8.6306   38.941   13.002   36.179   11.540  117.605   21.241  115.193   18.538 2.412239 28.19342 
1 1 1    5   22   18 o  601.869   9.9975  983.706   30.799  985.360   52.833  982.854   37.906  601.725   16.249  602.013   11.652 -0.2886353 19.99494 
1 1 1    5   22   19 o  192.211   13.061  114.308   10.999   77.050   21.478  127.551   12.805  167.518   23.727  216.904   10.925 -49.38588 26.12151 
1 1 1    5   22   20 o  193.497   13.260  103.492   13.657   93.468   20.552  111.419   18.275  184.793   20.581  202.202   16.726 -17.40884 26.52084 
1 1 1    5   22   21 o  174.176   14.736   83.230   13.574   82.905   21.492   83.446   17.508  173.629   22.907  174.723   18.544 -1.093597 29.47248 
1 1 1    5   22   22 o  554.362   11.432  835.300   34.179  780.856   46.684  898.198   50.177  534.973   16.149  573.750   16.184 -38.77771 22.86310 
1 1 1    5   22   23 o  479.947   10.634  627.318   27.554  590.991   38.264  666.441   39.710  465.483   15.212  494.410   14.864 -28.92703 21.26838 
1 1 1    5   22   24 o  633.761   17.211  1099.32   58.940   0.0000   0.0000  1099.32   58.940  ?   ?   633.761   17.211      ?      ? 
1 1 1    5   22   25 o  275.891   9.8641  206.599   14.706  206.599   14.706   0.0000   0.0000  275.891   9.8641  ?   ?       ?      ? 
1 1 1    5   22   26 o  387.876   9.4388  408.377   19.783   0.0000   0.0000  408.377   19.783  ?   ?   387.876   9.4388      ?      ? 
1 1 1    5   22   27 o  310.209   6.6177  261.278   11.087  263.526   15.967  259.184   15.407  311.475   9.4867  308.942   9.2292 2.533051 13.23538 
1 1 1    5   22   28 o  123.320   11.133   41.871   7.3898   45.693   10.392   37.962   10.510  129.131   14.893  117.508   16.552 11.62291 22.26616 
1 1 1    5   22   29 o  207.540   10.721  117.240   12.024  117.240   12.024   0.0000   0.0000  207.540   10.721  ?   ?       ?      ? 
1 1 1    5   22   30 o  367.467   9.0559  366.945   17.982   0.0000   0.0000  366.945   17.982  ?   ?   367.467   9.0559      ?      ? 
1 1 1    5   22   31 o   86.331   15.195   21.388   7.0839   25.929   10.525   17.626   9.5785   94.540   21.133   78.121   21.840 16.41892 30.39052 
1 1 1    5   22   32 o  274.568   6.8013  205.973   10.054  196.728   14.652  214.199   13.821  268.614   10.095  280.522   9.1175 -11.90781 13.60256 
1 1 1    5   22   33 o  260.856   6.7935  186.287   9.5323  172.757   13.803  198.625   13.180  251.628   10.151  270.085   9.0311 -18.45705 13.58696 
1 1 1    5   22   34 o  300.652   6.5033  246.024   10.525  249.629   15.629  243.031   14.238  302.563   9.5592  298.741   8.8202 3.821411 13.00665 
1 1 1    5   22   35 o  175.798   7.9561   85.457   7.4833   74.169   10.809   95.848   10.370  164.338   12.172  187.259   10.249 -22.92136 15.91220 
1 1 1    5   22   36 o   97.170   12.740   27.593   6.4049   23.480   9.7433   30.722   8.4995   89.193   20.627  105.147   14.959 -15.95380 25.48030 
1 1 1    5   22   37 o  207.006   9.4663  117.205   10.589   0.0000   0.0000  117.205   10.589  ?   ?   207.006   9.4663      ?      ? 
1 1 1    5   22   38 o  147.508   8.9141   59.582   7.0610   65.254   10.743   55.267   9.3693  153.538   12.948  141.478   12.255 12.05989 17.82829 
1 1 1    5   22   39 o  156.300   8.3841   66.773   7.0427   75.964   10.613   59.541   9.4140  165.810   11.845  146.790   11.868 19.01997 16.76811 
1 1 1    5   22   40 o  190.833   7.4300  100.581   7.5991   98.607   11.435  102.141   10.169  188.896   11.203  192.770   9.7626 -3.873764 14.85997 
1 1 1    5   22   41 o   76.441   15.013   17.893   6.4480   15.442   9.8303   19.743   8.5424   71.860   22.659   81.022   19.702 -9.162025 30.02623 
1 1 1    5   22   42 o  239.630   6.7544  158.420   8.6786  156.176   13.054  160.197   11.618  237.806   10.159  241.454   8.9042 -3.648224 13.50873 
1 1 1    5   22   43 o   67.838   14.995   14.066   6.3011   9.1915   9.9184   17.365   8.1592   60.130   22.558   75.546   19.761 -15.41570 29.98965 
1 1 1    5   22   44 o  199.264   7.4108  111.180   7.8195  104.268   12.111  116.122   10.240  193.324   11.593  205.204   9.2349 -11.88008 14.82163 
1 1 1    5   22   45 f  103.359   12.758   33.730   6.5720   23.097   10.139   41.436   8.6308   85.638   21.841  121.080   13.191 -35.44226 25.51513 
1 1 1    5   22   46 f  247.025   8.8447  168.582   11.806   0.0000   0.0000  168.582   11.806  ?   ?   247.025   8.8447      ?      ? 
1 1 1    5   22   47 o  183.075   7.6842   94.754   7.4523   87.813   11.474   99.819   9.8012  176.510   12.029  189.639   9.5645 -13.12949 15.36831 
1 1 1    5   22   48 o   44.497   13.319  -0.1055   6.1447 -10.4527   9.7749   6.6547   7.9010   36.879   17.597   52.115   19.998 -15.23622 26.63780 
1 1 1    5   22   49 o  120.747   16.153   55.937   8.1697   31.959   17.344   62.774   9.2615   92.493   30.188  149.002   11.503 -56.50938 32.30507 
1 1 1    5   22   50 o   58.367   17.363   7.1726   8.7676   7.2825   10.456   6.9122   16.091   55.519   22.465   61.214   26.482 -5.694695 34.72694 
1 1 1    5   22   51 o  137.424   18.692   59.009   13.881   59.009   13.881   0.0000   0.0000  137.424   18.692  ?   ?       ?      ? 
1 1 1    5   22   52 o   88.788   18.258   30.028   10.978   43.694   14.171   9.5158   17.361  113.426   23.875   64.149   27.630 49.27690 36.51604 
1 1 1    5   22   53 o   46.352   15.484  -8.2389   10.298  -2.9797   13.388 -15.8604   16.117   48.087   22.174   44.617   21.618 3.470284 30.96753 
1 1 1    5   22   54 o  123.380   10.755   46.232   7.0652   56.066   11.214   39.758   9.0982  133.601   15.533  113.159   14.879 20.44112 21.50953 
1 1 1    5   22   55 o  188.358   11.836  103.776   12.047  103.776   12.047   0.0000   0.0000  188.358   11.836  ?   ?       ?      ? 
1 1 1    5   22   56 o   93.350   13.997   32.537   6.9981   21.325   10.563   41.309   9.3429   72.412   23.554  114.289   15.128 -41.87692 27.99402 
1 1 1    5   23    0 o  624.527   12.610  1056.90   42.555   0.0000   0.0000  1056.90   42.555  ?   ?   624.527   12.610      ?      ? 
1 1 1    5   23    1 o  378.642   9.0744  387.954   18.567   0.0000   0.0000  387.954   18.567  ?   ?   378.642   9.0744      ?      ? 
1 1 1    5   23    2 o  173.754   10.220   81.729   9.5954   0.0000   0.0000   81.729   9.5954  ?   ?   173.754   10.220      ?      ? 
1 1 1    5   23    3 o  207.995   15.017  117.385   16.878   0.0000   0.0000  117.385   16.878  ?   ?   207.995   15.017      ?      ? 
1 1 1    5   23    4 o  485.849   11.439  639.375   30.031   0.0000   0.0000  639.375   30.031  ?   ?   485.849   11.439      ?      ? 
1 1 1    5   23    5 o  381.211   11.053  393.588   22.768   0.0000   0.0000  393.588   22.768  ?   ?   381.211   11.053      ?      ? 
1 1 1    5   23    6 o  355.441   7.0497  341.694   13.540   0.0000   0.0000  341.694   13.540  ?   ?   355.441   7.0497      ?      ? 
1 1 1    5   23    7 o  468.225   11.235  593.970   28.426   0.0000   0.0000  593.970   28.426  ?   ?   468.225   11.235      ?      ? 
1 1 1    5   23    8 o  377.363   9.1304  385.489   18.618   0.0000   0.0000  385.489   18.618  ?   ?   377.363   9.1304      ?      ? 
1 1 1    5   23    9 o  439.064   7.2316  521.516   17.157   0.0000   0.0000  521.516   17.157  ?   ?   439.064   7.2316      ?      ? 
1 1 1    5   23   10 o  608.944   9.6207  1004.23   31.657   0.0000   0.0000  1004.23   31.657  ?   ?   608.944   9.6207      ?      ? 
1 1 1    5   23   11 o  320.389   9.0016  277.928   15.584   0.0000   0.0000  277.928   15.584  ?   ?   320.389   9.0016      ?      ? 
1 1 1    5   23   12 o  266.105   7.2101  191.587   10.368   0.0000   0.0000  191.587   10.368  ?   ?   266.105   7.2101      ?      ? 
1 1 1    5   23   13 o   80.280   19.197   18.287   8.2154   0.0000   0.0000   18.287   8.2154  ?   ?    80.280   19.197      ?      ? 
1 1 1    5   23   14 o  376.479   9.5706  383.937   19.470   0.0000   0.0000  383.937   19.470  ?   ?   376.479   9.5706      ?      ? 
1 1 1    5   23   15 o  117.352   33.623   39.414   22.416   39.414   22.416   0.0000   0.0000  117.352   33.623  ?   ?       ?      ? 
1 1 1    5   23   16 o   64.981   27.683   0.4167   17.083   0.0000   0.0000   0.4167   17.083  ?   ?    64.981   27.683      ?      ? 
1 1 1    5   23   17 o  189.498   18.757   98.176   19.207   0.0000   0.0000   98.176   19.207  ?   ?   189.498   18.757      ?      ? 
1 1 1    5   23   18 o  399.723   10.818  435.536   23.264  383.559   32.445  490.540   33.376  375.006   16.011  424.439   14.552 -49.43240 21.63614 
1 1 1    5   23   19 o  513.345   11.314  718.313   31.350  672.523   43.549  767.568   45.166  496.309   16.238  530.382   15.759 -34.07263 22.62815 
1 1 1    5   23   20 o   76.999   17.760   16.554   8.7896   21.524   10.425   4.3401   16.344   86.718   22.165   67.280   27.757 19.43763 35.52088 
1 1 1    5   23   21 o  168.735   9.0699   77.507   8.2675   78.078   11.579   76.914   11.808  169.386   12.651  168.084   13.000 1.301407 18.13988 
1 1 1    5   23   22 o  168.301   12.738   77.128   11.585   0.0000   0.0000   77.128   11.585  ?   ?   168.301   12.738      ?      ? 
1 1 1    5   23   25 o  310.797   6.8183  262.502   11.438  246.060   16.036  279.532   16.320  300.848   9.8639  320.746   9.4161 -19.89767 13.63670 
1 1 1    5   23   26 o  180.410   8.4693   88.857   8.2461   85.423   11.799   92.137   11.529  176.948   12.340  183.873   11.604 -6.925323 16.93856 
1 1 1    5   23   27 o  134.505   10.358   49.844   7.4882   53.474   10.347   45.852   10.850  139.795   13.698  129.215   15.540 10.57950 20.71499 
1 1 1    5   23   28 o  207.127   7.4753  117.038   8.3176  101.215   11.616  133.686   11.915  192.643   11.159  221.610   9.9501 -28.96713 14.95067 
1 1 1    5   23   29 o  188.294   8.1664   97.274   8.2608   92.592   12.178  101.264   11.243  183.948   12.252  192.641   10.800 -8.692780 16.33277 
1 1 1    5   23   30 o  218.861   7.5332  131.214   8.8729  118.683   12.623  143.454   12.475  208.375   11.210  229.347   10.066 -20.97195 15.06640 
1 1 1    5   23   31 o  104.315   13.162   30.101   7.1072   42.902   10.928   20.716   9.3564  124.419   16.254   84.211   20.706 40.20836 26.32360 
1 1 1    5   23   32 o  114.524   11.423   36.555   7.0348   33.882   10.193   38.986   9.7214  110.328   17.097  118.720   15.154 -8.391609 22.84581 
1 1 1    5   23   33 f   61.496   15.535   9.1100   6.7144   4.9876   9.5250   13.182   9.4665   54.411   21.637   68.581   22.298 -14.16951 31.07066 
1 1 1    5   23   34 o  176.473   8.2835   87.499   7.6732   64.961   10.975  109.048   10.732  153.324   13.247  199.623   9.9491 -46.29865 16.56709 
1 1 1    5   23   35 o   94.187   14.249   26.376   6.9999   24.117   10.488   28.190   9.3998   89.885   21.814   98.490   18.337 -8.604965 28.49742 
1 1 1    5   23   36 o  138.460   9.6841   52.717   7.1774   63.887   10.677   43.509   9.6944  151.897   13.008  125.023   14.350 26.87357 19.36828 
1 1 1    5   23   37 o  300.198   8.8970  246.601   14.432   0.0000   0.0000  246.601   14.432  ?   ?   300.198   8.8970      ?      ? 
1 1 1    5   23   38 o  165.775   8.3301   76.660   7.3987   70.569   10.905   81.854   10.071  159.312   12.668  172.238   10.821 -12.92516 16.66029 
1 1 1    5   23   39 o  220.877   9.5217  134.087   11.365   0.0000   0.0000  134.087   11.365  ?   ?   220.877   9.5217      ?      ? 
1 1 1    5   23   40 f  142.428   9.1356   56.807   7.0172   55.524   10.172   57.971   9.6927  140.717   13.378  144.138   12.445 -3.421722 18.27117 
1 1 1    5   23   41 o  155.381   11.684   67.217   9.8102   0.0000   0.0000   67.217   9.8102  ?   ?   155.381   11.684      ?      ? 
1 1 1    5   23   42 o   54.115   14.929   6.4265   6.3286   4.4732   9.6673   7.8913   8.3718   52.413   21.453   55.818   20.767 -3.404289 29.85813 
1 1 1    5   23   43 o  100.432   12.796   30.282   6.6586   27.958   10.209   32.003   8.7842   95.233   20.449  105.630   15.390 -10.39642 25.59282 
1 1 1    5   23   44 o  129.778   9.7428   47.649   6.7945   50.530   10.265   45.403   9.0643  133.005   14.283  126.552   13.255 6.452888 19.48552 
1 1 1    5   23   45 o  158.176   8.5193   71.711   7.1014   63.927   10.942   77.375   9.3342  149.782   13.519  166.571   10.370 -16.78889 17.03864 
1 1 1    5   23   46 o  225.274   7.1501  141.018   8.6442  144.078   13.063  138.634   11.530  227.078   10.646  223.470   9.5481 3.608322 14.30022 
1 1 1    5   23   47 o  158.743   11.911   74.088   9.5488   72.950   11.614   76.464   16.776  159.412   13.482  158.074   19.640 1.338409 23.82234 
1 1 1    5   23   48 o   57.523   17.450   3.7107   9.5061  -1.0547   12.021   11.667   15.532   48.866   21.928   66.180   27.152 -17.31381 34.90051 
1 1 1    5   23   49 o   44.866   15.030  -9.1091   9.7331  -6.3356   12.943 -12.7185   14.766   45.294   21.194   44.438   21.318 0.8566895 30.06031 
1 1 1    5   23   50 o  104.921   29.562   42.500   17.478   0.0000   0.0000   42.500   17.478  ?   ?   104.921   29.562      ?      ? 
1 1 1    5   23   51 o  182.417   11.212   97.735   10.755  105.856   17.561   92.860   13.605  186.626   17.414  178.209   14.129 8.417160 22.42445 
1 1 1    5   23   52 f  106.855   14.373   39.064   7.9953   38.199   11.226   39.955   11.390  105.516   20.426  108.194   20.226 -2.678299 28.74597 
1 1 1    5   23   53 o  114.572   12.617   43.194   7.3549   35.356   10.984   49.565   9.9026  101.270   20.769  127.875   14.331 -26.60513 25.23332 
1 1 1    5   23   54 o  154.624   9.5095   73.370   7.7925   63.394   11.549   81.708   10.558  142.853   14.961  166.394   11.743 -23.54114 19.01907 
1 1 1    5   24    0 o  222.742   8.1885  134.289   9.8558   0.0000   0.0000  134.289   9.8558  ?   ?   222.742   8.1885      ?      ? 
1 1 1    5   24    1 o  192.214   8.9991  100.039   9.3470   0.0000   0.0000  100.039   9.3470  ?   ?   192.214   8.9991      ?      ? 
1 1 1    5   24    2 o  244.533   7.9712  161.835   10.533   0.0000   0.0000  161.835   10.533  ?   ?   244.533   7.9712      ?      ? 
1 1 1    5   24    3 o  315.323   7.2365  269.021   12.330   0.0000   0.0000  269.021   12.330  ?   ?   315.323   7.2365      ?      ? 
1 1 1    5   24    4 o  598.844   11.522  972.422   37.285   0.0000   0.0000  972.422   37.285  ?   ?   598.844   11.522      ?      ? 
1 1 1    5   24    5 o  293.990   8.0491  233.936   12.787   0.0000   0.0000  233.936   12.787  ?   ?   293.990   8.0491      ?      ? 
1 1 1    5   24    6 o  132.000   13.408   47.313   9.5636   0.0000   0.0000   47.313   9.5636  ?   ?   132.000   13.408      ?      ? 
1 1 1    5   24   11 o  518.948   10.757  730.381   30.166   0.0000   0.0000  730.381   30.166  ?   ?   518.948   10.757      ?      ? 
1 1 1    5   24   13 o  336.795   9.7729  307.556   17.786   0.0000   0.0000  307.556   17.786  ?   ?   336.795   9.7729      ?      ? 
1 1 1    5   24   14 o   92.414   27.498   24.122   14.749   24.122   14.749   0.0000   0.0000   92.414   27.498  ?   ?       ?      ? 
1 1 1    5   24   15 o  237.683   7.8855  154.519   8.8666  151.126   17.329  155.722   10.320  235.605   13.612  239.760   7.9653 -4.155655 15.77100 
1 1 1    5   24   16 o  163.999   10.732   72.592   9.4284   79.302   14.530   67.713   12.391  170.408   15.780  157.590   14.551 12.81776 21.46480 
1 1 1    5   24   17 o  183.889   8.9582   92.065   8.8910   91.231   12.858   92.829   12.307  183.055   12.999  184.723   12.330 -1.667221 17.91643 
1 1 1    5   24   18 o  231.783   7.8651  145.840   9.8443  153.279   14.182  138.923   13.676  237.490   11.051  226.077   11.195 11.41228 15.73029 
1 1 1    5   24   19 o  132.989   11.432   48.432   8.2112   48.319   11.787   48.539   11.446  132.810   16.424  133.168   15.906 -0.3584595 22.86338 
1 1 1    5   24   21 o  230.695   7.5253  144.708   9.3726  136.345   13.089  153.508   13.427  223.831   10.822  237.558   10.459 -13.72690 15.05054 
1 1 1    5   24   23 o  153.424   9.5576   64.350   7.9200   61.795   11.151   66.952   11.251  150.322   13.727  156.525   13.302 -6.203049 19.11512 
1 1 1    5   24   24 o  189.877   8.4631   98.060   8.6695  104.266   12.698   92.640   11.865  195.479   12.021  184.274   11.916 11.20476 16.92616 
1 1 1    5   24   25 o  188.057   8.4121   96.285   8.5354  102.632   12.478   90.703   11.702  193.861   11.911  182.252   11.882 11.60913 16.82411 
1 1 1    5   24   26 o  156.513   9.3174   67.184   7.8285   57.521   10.891   77.513   11.260  144.731   13.926  168.294   12.382 -23.56303 18.63473 
1 1 1    5   24   27 o   86.868   15.924   22.172   7.5801   19.100   10.851   25.099   10.593   81.050   23.444   92.685   21.557 -11.63538 31.84876 
1 1 1    5   24   28 o   72.204   15.722   13.841   7.1810   22.172   10.459   6.4126   9.8769   86.924   22.191   57.484   22.278 29.43937 31.44417 
1 1 1    5   24   29 o  297.703   9.1718  241.492   14.755   0.0000   0.0000  241.492   14.755  ?   ?   297.703   9.1718      ?      ? 
1 1 1    5   24   30 o   74.870   15.594   16.086   7.0255   9.9118   10.059   21.968   9.8167   63.294   22.893   86.446   21.181 -23.15186 31.18874 
1 1 1    5   24   31 o  158.725   9.1458   69.549   7.8335   66.687   11.206   72.285   10.955  155.425   13.343  162.025   12.512 -6.600723 18.29161 
1 1 1    5   24   32 o  104.608   13.611   31.073   7.3756   46.784   11.170   18.926   9.8213  129.397   15.974   79.819   22.043 49.57743 27.22295 
1 1 1    5   24   33 o  132.642   10.387   49.078   7.4057   55.213   10.543   43.102   10.405  141.064   13.831  124.220   15.501 16.84373 20.77440 
1 1 1    5   24   34 o  102.397   13.387   30.723   7.1522   23.504   10.140   37.871   10.090   88.628   21.412  116.165   16.074 -27.53738 26.77395 
1 1 1    5   24   35 o   77.894   14.719   18.114   7.0952   6.0646   10.335   28.856   9.7580   56.754   22.548   99.035   18.924 -42.28145 29.43715 
1 1 1    5   24   36 o  239.567   9.6761  157.725   12.526   0.0000   0.0000  157.725   12.526  ?   ?   239.567   9.6761      ?      ? 
1 1 1    5   24   37 o  186.869   8.1102   96.101   8.1217  101.472   12.435   92.106   10.725  191.159   12.039  182.580   10.871 8.579544 16.22037 
1 1 1    5   24   38 o  140.433   9.6696   56.200   7.2137   46.476   10.461   65.018   9.9612  128.084   15.114  152.783   12.066 -24.69891 19.33918 
1 1 1    5   24   39 o   57.513   15.460   7.8561   6.7414   4.8459   9.9862   10.377   9.1378   53.659   21.865   61.366   21.864 -7.707478 30.92092 
1 1 1    5   24   40 o  200.728   7.5887  112.477   8.1730   99.271   11.704  125.046   11.418  188.780   11.473  212.675   9.9355 -23.89572 15.17735 
1 1 1    5   24   41 o   87.836   13.821   23.967   6.6818   14.476   9.5893   32.924   9.3155   68.810   22.446  106.861   16.132 -38.05058 27.64178 
1 1 1    5   24   42 o  211.426   9.8780  124.041   11.285   0.0000   0.0000  124.041   11.285  ?   ?   211.426   9.8780      ?      ? 
1 1 1    5   24   43 o   53.298   15.231   5.5086   6.7549   7.4822   10.197   3.9654   9.0170   56.749   22.444   49.848   20.596 6.901463 30.46189 
1 1 1    5   24   44 o  136.710   14.353   60.697   9.2185   68.206   11.381   46.374   15.719  154.670   13.618  118.751   25.272 35.91825 28.70696 
1 1 1    5   24   45 o   43.788   14.359 -12.0540   9.0918   2.2973   11.618 -34.7297   14.604   51.831   22.462   35.744   17.894 16.08736 28.71824 
1 1 1    5   24   46 o  110.323   16.759   40.830   9.7659   45.405   12.859   34.595   15.011  121.706   19.553   98.939   27.223 22.76731 33.51727 
1 1 1    5   24   47 o   70.645   18.857   17.054   9.8420   18.716   12.508   14.351   15.948   73.240   25.627   68.050   27.669 5.190567 37.71383 
1 1 1    5   24   48 o   80.349   16.348   22.791   7.3766   20.182   12.913   24.055   8.9873   74.750   26.046   85.949   19.764 -11.19889 32.69522 
1 1 1    5   24   50 o  107.782   17.097   46.852   8.9590   29.662   18.781   51.916   10.194   83.260   31.080  132.305   14.258 -49.04482 34.19404 
1 1 1    5   24   51 o   76.968   18.254   25.407   8.7698   23.491   18.788   25.941   9.9163   69.899   29.367   84.036   21.690 -14.13723 36.50891 
1 1 1    5   24   52 o  182.137   10.225  100.173   10.025  105.114   14.962   96.149   13.505  185.553   14.923  178.721   13.984 6.832230 20.45052 
1 1 1    5   24   53 o  102.228   19.732   36.735   10.505   0.0000   0.0000   36.735   10.505  ?   ?   102.228   19.732      ?      ? 
1 1 1    5   25    0 o  155.865   14.510   66.132   12.220   0.0000   0.0000   66.132   12.220  ?   ?   155.865   14.510      ?      ? 
1 1 1    5   25    2 o  368.752   9.9913  368.722   19.909   0.0000   0.0000  368.722   19.909  ?   ?   368.752   9.9913      ?      ? 
1 1 1    5   25    4 o  168.477   12.905   77.169   11.749   0.0000   0.0000   77.169   11.749  ?   ?   168.477   12.905      ?      ? 
1 1 1    5   25    5 o  172.906   12.806   81.282   11.965   0.0000   0.0000   81.282   11.965  ?   ?   172.906   12.806      ?      ? 
1 1 1    5   25    6 o   76.401   21.971   16.441   9.5555   0.0000   0.0000   16.441   9.5555  ?   ?    76.401   21.971      ?      ? 
1 1 1    5   25    7 o  261.099   7.6905  184.630   10.850   0.0000   0.0000  184.630   10.850  ?   ?   261.099   7.6905      ?      ? 
1 1 1    5   25    8 o  170.195   9.7064   78.566   8.9267   0.0000   0.0000   78.566   8.9267  ?   ?   170.195   9.7064      ?      ? 
1 1 1    5   25    9 o  171.709   9.3910   79.958   8.7136   0.0000   0.0000   79.958   8.7136  ?   ?   171.709   9.3910      ?      ? 
1 1 1    5   25   10 o  165.031   9.8256   73.894   8.7622   0.0000   0.0000   73.894   8.7622  ?   ?   165.031   9.8256      ?      ? 
1 1 1    5   25   11 o  320.959   7.0668  278.953   12.256   0.0000   0.0000  278.953   12.256  ?   ?   320.959   7.0668      ?      ? 
1 1 1    5   25   12 o  320.432   7.1603  278.078   12.398   0.0000   0.0000  278.078   12.398  ?   ?   320.432   7.1603      ?      ? 
1 1 1    5   25   13 o  230.210   12.201  144.224   15.178   0.0000   0.0000  144.224   15.178  ?   ?   230.210   12.201      ?      ? 
1 1 1    5   25   14 o  327.192   7.4451  278.465   11.466  316.441   23.402  266.470   13.152  340.821   12.707  313.563   7.7622 27.25797 14.89018 
1 1 1    5   25   15 o  193.374   8.7767  100.167   7.9971  105.428   16.005   98.417   9.2322  196.313   15.087  190.435   8.9716 5.877594 17.55333 
1 1 1    5   25   16 f  103.029   13.721   26.567   6.5893   38.896   13.423   22.652   7.5634  116.515   22.129   89.543   16.229 26.97212 27.44181 
1 1 1    5   25   17 o   73.471   16.613   14.760   7.4452   13.333   10.149   16.423   10.956   70.297   23.099   76.645   23.882 -6.348007 33.22516 
1 1 1    5   25   18 o  205.214   8.2973  114.520   9.1828  125.135   13.311  104.880   12.684  214.303   11.495  196.124   11.969 18.17929 16.59461 
1 1 1    5   25   19 o   84.465   15.531   20.358   7.6123   10.466   10.724   30.403   10.807   65.847   23.662  103.082   20.124 -37.23541 31.06181 
1 1 1    5   25   20 o  248.843   7.6413  168.624   10.274  166.598   14.525  170.654   14.536  247.336   10.868  250.351   10.745 -3.014603 15.28251 
1 1 1    5   25   21 o  252.092   7.3094  173.063   9.9340  157.917   13.907  188.845   14.195  240.760   10.689  263.424   9.9724 -22.66377 14.61885 
1 1 1    5   25   22 o  174.001   9.1557   82.240   8.5619   95.290   12.696   71.354   11.595  186.625   12.590  161.378   13.297 25.24765 18.31144 
1 1 1    5   25   23 o  175.827   12.405   84.647   11.786   84.647   11.786   0.0000   0.0000  175.827   12.405  ?   ?       ?      ? 
1 1 1    5   25   24 o   84.192   16.099   20.636   7.6007   16.130   10.618   25.372   10.885   75.308   23.518   93.076   21.992 -17.76876 32.19833 
1 1 1    5   25   25 o  227.868   10.531  141.792   12.967   0.0000   0.0000  141.792   12.967  ?   ?   227.868   10.531      ?      ? 
1 1 1    5   25   26 o  130.633   11.015   47.256   7.7678   44.706   10.953   49.837   11.017  127.008   15.960  134.258   15.186 -7.249969 22.03046 
1 1 1    5   25   27 f  147.328   10.188   60.031   8.0634   68.391   11.540   52.054   11.272  157.550   13.555  137.106   15.214 20.44463 20.37630 
1 1 1    5   25   28 o  257.306   7.2614  181.304   10.084  171.971   14.310  190.512   14.212  250.628   10.566  263.985   9.9633 -13.35709 14.52274 
1 1 1    5   25   29 o  197.824   7.9059  107.445   8.4501  109.375   12.064  105.587   11.840  199.565   11.187  196.083   11.175 3.482635 15.81181 
1 1 1    5   25   30 o   44.373   13.941  -2.8717   6.7509  -5.5453   9.5151  -0.1617   9.5796   41.431   18.952   47.315   20.451 -5.884167 27.88239 
1 1 1    5   25   31 o   64.883   15.500   10.355   6.9807   18.300   10.024   2.8730   9.7273   78.345   22.495   51.421   21.330 26.92375 30.99992 
1 1 1    5   25   32 o  112.232   12.413   36.046   7.2547   43.969   10.569   28.986   9.9764  125.197   15.622   99.268   19.293 25.92891 24.82509 
1 1 1    5   25   33 o  213.717   7.7969  126.407   8.9753  117.758   12.885  134.558   12.509  206.377   11.554  221.058   10.472 -14.68053 15.59373 
1 1 1    5   25   34 o  275.245   7.0182  208.663   10.426  200.981   14.908  216.018   14.587  270.135   10.213  280.355   9.6289 -10.21951 14.03632 
1 1 1    5   25   35 o  187.228   8.2027   97.502   8.2543   93.998   12.185  100.474   11.221  183.825   12.267  190.631   10.893 -6.806152 16.40539 
1 1 1    5   25   36 o  181.874   8.1570   92.324   7.9504   88.680   11.888   95.272   10.694  178.245   12.342  185.503   10.668 -7.258408 16.31397 
1 1 1    5   25   37 o   64.442   12.965   8.8292   6.6247 -10.4457   9.7964   25.071   8.9926   37.509   17.818   91.374   18.839 -53.86518 25.93033 
1 1 1    5   25   38 o   83.677   14.622   21.444   6.8300   30.298   9.8895   13.370   9.4442  100.407   18.921   66.947   22.297 33.45986 29.24300 
1 1 1    5   25   39 o  134.823   10.422   52.498   7.4838   44.605   10.871   59.609   10.318  124.332   16.180  145.313   13.140 -20.98116 20.84410 
1 1 1    5   25   40 o  145.604   11.822   59.006   8.8941   52.917   10.868   71.351   15.476  135.873   14.802  155.335   18.438 -19.46236 23.64435 
1 1 1    5   25   41 o   61.187   17.427   8.7489   8.7913   10.475   11.101   5.8446   14.398   62.208   23.743   60.166   25.516 2.042053 34.85398 
1 1 1    5   25   42 o   49.877   15.153  -2.1680   8.5086   9.1464   10.650 -22.1306   14.147   59.761   23.141   39.993   19.570 19.76731 30.30632 
1 1 1    5   25   43 o  269.206   9.5763  203.369   13.757  181.531   17.819  235.586   21.644  252.207   13.075  286.205   13.995 -33.99802 19.15252 
1 1 1    5   25   44 o   53.908   16.704   2.3416   9.2359   3.8581   11.953   0.0945   14.550   53.810   23.045   54.007   24.187 -0.1971397 33.40825 
1 1 1    5   25   45 o   74.525   17.095   17.317   7.6571   26.171   13.046   12.664   9.4575   85.797   25.938   63.254   22.274 22.54258 34.18962 
1 1 1    5   25   46 o  139.553   12.939   56.574   9.7574   0.0000   0.0000   56.574   9.7574  ?   ?   139.553   12.939      ?      ? 
1 1 1    5   25   47 o  136.111   10.448   54.372   7.6560   56.818   11.412   52.370   10.324  138.520   15.246  133.701   14.290 4.819077 20.89598 
1 1 1    5   25   48 o   47.050   14.440   0.2400   7.2408  -7.6783   10.554   7.2820   9.9527   39.811   18.787   54.289   21.935 -14.47832 28.88035 
1 1 1    5   25   49 o   67.404   15.906   16.185   7.2982   25.953   10.865   8.1535   9.8517   82.254   23.355   52.554   21.600 29.70025 31.81215 
1 1 1    5   25   50 o  179.392   8.7275   94.767   8.3875   93.173   12.619   96.028   11.226  177.002   13.193  181.782   11.429 -4.779953 17.45504 
1 1 1    5   25   51 o  155.739   16.717   95.848   10.287   71.779   21.056  103.394   11.790  124.439   31.333  187.039   11.665 -62.60010 33.43380 
1 1 1    5   26    0 o  554.313   9.1951  833.532   27.542   0.0000   0.0000  833.532   27.542  ?   ?   554.313   9.1951      ?      ? 
1 1 1    5   26    1 o  628.593   11.938  1074.89   40.551   0.0000   0.0000  1074.89   40.551  ?   ?   628.593   11.938      ?      ? 
1 1 1    5   26    2 o  221.977   8.3667  133.581   10.036   0.0000   0.0000  133.581   10.036  ?   ?   221.977   8.3667      ?      ? 
1 1 1    5   26    3 o  180.275   9.3479   88.182   9.1062   0.0000   0.0000   88.182   9.1062  ?   ?   180.275   9.3479      ?      ? 
1 1 1    5   26    4 o  428.500   8.2715  497.776   19.152   0.0000   0.0000  497.776   19.152  ?   ?   428.500   8.2715      ?      ? 
1 1 1    5   26    5 o  247.464   13.788  167.048   18.438   0.0000   0.0000  167.048   18.438  ?   ?   247.464   13.788      ?      ? 
1 1 1    5   26    6 o  107.762   14.261   31.708   8.3042   0.0000   0.0000   31.708   8.3042  ?   ?   107.762   14.261      ?      ? 
1 1 1    5   26    7 o   47.824   19.349   2.8013   7.7552   0.0000   0.0000   2.8013   7.7552  ?   ?    47.824   19.349      ?      ? 
1 1 1    5   26    8 o  182.740   9.1451   90.645   9.0304   0.0000   0.0000   90.645   9.0304  ?   ?   182.740   9.1451      ?      ? 
1 1 1    5   26    9 o  311.008   12.455  263.703   20.932   0.0000   0.0000  263.703   20.932  ?   ?   311.008   12.455      ?      ? 
1 1 1    5   26   10 o  162.188   10.109   71.514   8.8597   0.0000   0.0000   71.514   8.8597  ?   ?   162.188   10.109      ?      ? 
1 1 1    5   26   11 o  216.259   8.9538  126.998   10.463   0.0000   0.0000  126.998   10.463  ?   ?   216.259   8.9538      ?      ? 
1 1 1    5   26   13 o  123.422   15.757   41.811   10.509   0.0000   0.0000   41.811   10.509  ?   ?   123.422   15.757      ?      ? 
1 1 1    5   26   14 o  585.419   8.2845  930.064   26.207   0.0000   0.0000  930.064   26.207  ?   ?   585.419   8.2845      ?      ? 
1 1 1    5   26   15 o  138.076   10.629   50.567   7.1675   56.351   13.720   48.396   8.4057  142.920   17.765  133.231   11.676 9.688812 21.25849 
1 1 1    5   26   16 o  321.751   7.5417  281.379   12.446  283.784   21.289  280.130   15.341  322.392   12.220  321.110   8.8415 1.281403 15.08336 
1 1 1    5   26   17 o   70.286   15.734   13.479   6.3056   13.565   11.711   13.443   7.4828   71.957   24.819   68.615   19.347 3.342499 31.46864 
1 1 1    5   26   18 o   49.987   15.191  -0.1937   7.3526  -0.9434   9.8789   0.7374   11.009   47.697   20.692   52.277   22.246 -4.580719 30.38133 
1 1 1    5   26   19 o   88.119   15.771   22.288   7.7265   14.711   10.552   31.047   11.345   72.726   23.534  103.512   21.001 -30.78658 31.54148 
1 1 1    5   26   20 o  136.100   10.710   51.018   7.8598   49.806   10.722   52.426   11.556  134.427   14.760  137.774   15.522 -3.347443 21.41948 
1 1 1    5   26   21 o   78.601   16.703   17.880   7.6787   16.599   11.120   19.048   10.616   76.381   24.100   80.822   23.134 -4.441231 33.40669 
1 1 1    5   26   22 o  253.827   7.2981  175.913   10.010  175.837   14.172  175.989   14.141  253.769   10.335  253.886   10.308 -0.1163940 14.59630 
1 1 1    5   26   23 o  234.370   7.6243  150.195   9.6469  158.892   13.742  141.744   13.546  241.120   10.547  227.620   11.013 13.50002 15.24865 
1 1 1    5   26   24 o  175.939   9.0875   84.819   8.6169   93.848   12.607   76.904   11.804  184.744   12.629  167.133   13.071 17.61073 18.17499 
1 1 1    5   26   25 o  189.174   8.6563   98.801   8.8168   91.462   12.660  105.714   12.286  182.151   12.862  196.197   11.589 -14.04558 17.31269 
1 1 1    5   26   27 f  161.073   9.4628   72.029   8.1884   62.941   11.525   81.292   11.636  150.550   14.167  171.596   12.549 -21.04530 18.92564 
1 1 1    5   26   28 o  109.629   13.031   34.542   7.5379   37.032   10.670   32.062   10.650  114.634   17.225  104.624   19.558 10.00980 26.06146 
1 1 1    5   26   29 o  123.494   11.185   42.850   7.4532   44.715   10.445   40.914   10.638  126.385   15.294  120.602   16.324 5.782768 22.36965 
1 1 1    5   26   30 o  185.153   8.2946   94.807   8.2843   87.757   11.624  102.083   11.809  178.028   12.084  192.278   11.366 -14.25011 16.58912 
1 1 1    5   26   31 o  177.989   8.7683   87.776   8.4212   94.195   12.257   82.038   11.589  184.169   12.317  171.810   12.483 12.35883 17.53652 
1 1 1    5   26   32 o  120.198   11.472   41.054   7.4180   45.677   10.553   36.539   10.429  127.198   15.354  113.199   17.050 13.99864 22.94429 
1 1 1    5   26   33 o   74.242   16.295   16.664   7.3059   13.345   10.243   20.102   10.424   67.833   23.219   80.652   22.867 -12.81926 32.58900 
1 1 1    5   26   34 o  143.532   12.185   59.200   9.1086   58.864   11.466   59.775   14.997  144.182   14.716  142.883   19.424 1.298767 24.36927 
1 1 1    5   26   35 o  255.886   14.059  184.865   19.440   0.0000   0.0000  184.865   19.440  ?   ?   255.886   14.059      ?      ? 
1 1 1    5   26   36 f  100.534   17.781   32.867   9.6240   34.932   12.823   30.203   14.563  105.388   23.150   95.681   26.994 9.707405 35.56110 
1 1 1    5   26   37 f  208.422   10.174  123.206   11.392  118.604   15.204  129.099   17.204  204.466   13.761  212.378   14.991 -7.912323 20.34884 
1 1 1    5   26   38 o   55.826   16.849   1.2076   9.0942  -5.5428   11.808   11.052   14.259   45.439   20.905   66.213   26.429 -20.77373 33.69728 
1 1 1    5   26   39 o   52.788   16.369   0.8545   9.0514   4.8941   11.532  -5.6284   14.608   55.155   23.080   50.422   23.218 4.733337 32.73802 
1 1 1    5   26   40 f  190.729   10.895  103.283   10.997   95.946   14.008  115.068   17.754  183.046   14.162  198.412   16.559 -15.36542 21.78946 
1 1 1    5   26   41 o  148.833   10.527   64.121   8.3552   65.090   12.913   63.423   10.958  148.977   16.040  148.688   13.639 0.2897034 21.05478 
1 1 1    5   26   42 o  155.131   13.000   68.882   10.897   0.0000   0.0000   68.882   10.897  ?   ?   155.131   13.000      ?      ? 
1 1 1    5   26   43 o  124.221   11.378   45.029   7.5607   52.634   11.745   39.649   9.8799  132.809   16.366  115.633   15.812 17.17567 22.75679 
1 1 1    5   26   44 o  159.402   9.9305   76.152   8.3265   60.012   12.105   90.647   11.472  141.258   15.858  177.546   11.957 -36.28801 19.86109 
1 1 1    5   26   45 o   43.057   13.878  -3.2869   7.2539  -7.8123   10.748   0.4985   9.8302   40.276   18.992   45.837   20.241 -5.561474 27.75569 
1 1 1    5   26   46 o   41.358   13.437  -3.7400   6.8761  -5.1739   10.055  -2.4803   9.4243   40.814   18.958   41.901   19.048 -1.086788 26.87468 
1 1 1    5   26   47 o   91.514   14.471   28.986   7.2468   38.594   10.566   20.450   9.9582  109.097   17.923   73.930   22.725 35.16703 28.94197 
1 1 1    5   26   48 o  116.263   12.943   44.625   7.6235   32.289   10.803   56.863   10.760   95.879   21.394  136.648   14.572 -40.76851 25.88509 
1 1 1    5   26   49 o   99.162   14.190   34.640   7.4600   23.151   10.620   45.830   10.481   77.729   23.381  120.594   16.084 -42.86494 28.37926 
1 1 1    5   27    4 o  167.303   14.382   76.630   13.002   0.0000   0.0000   76.630   13.002  ?   ?   167.303   14.382      ?      ? 
1 1 1    5   27    5 o  289.989   10.840  228.932   16.986   0.0000   0.0000  228.932   16.986  ?   ?   289.989   10.840      ?      ? 
1 1 1    5   27    6 o   82.811   24.118   19.655   11.450   0.0000   0.0000   19.655   11.450  ?   ?    82.811   24.118      ?      ? 
1 1 1    5   27    7 o  181.072   13.737   89.697   13.441   0.0000   0.0000   89.697   13.441  ?   ?   181.072   13.737      ?      ? 
1 1 1    5   27    9 o  180.014   9.9202   88.162   9.6498   0.0000   0.0000   88.162   9.6498  ?   ?   180.014   9.9202      ?      ? 
1 1 1    5   27   10 o   44.908   19.152   0.1860   8.1918   0.0000   0.0000   0.1860   8.1918  ?   ?    44.908   19.152      ?      ? 
1 1 1    5   27   11 o  197.526   12.975  106.780   13.849   0.0000   0.0000  106.780   13.849  ?   ?   197.526   12.975      ?      ? 
1 1 1    5   27   12 o   85.563   17.689   20.984   7.9084   0.0000   0.0000   20.984   7.9084  ?   ?    85.563   17.689      ?      ? 
1 1 1    5   27   13 f   99.918   14.658   27.467   7.9144   0.0000   0.0000   27.467   7.9144  ?   ?    99.918   14.658      ?      ? 
1 1 1    5   27   14 o  101.786   14.517   28.518   7.9847   0.0000   0.0000   28.518   7.9847  ?   ?   101.786   14.517      ?      ? 
1 1 1    5   27   15 o  298.194   8.7085  241.932   14.032   0.0000   0.0000  241.932   14.032  ?   ?   298.194   8.7085      ?      ? 
1 1 1    5   27   16 o  286.078   7.5543  222.264   10.994  227.252   19.180  219.823   13.416  287.946   12.327  284.210   8.7357 3.736786 15.10855 
1 1 1    5   27   17 o  257.085   7.6268  182.392   10.083  174.572   16.914  186.702   12.558  252.302   12.406  261.868   8.8746 -9.566071 15.25364 
1 1 1    5   27   18 o  272.105   8.2325  197.454   11.776  225.450   19.490  181.358   14.778  286.587   12.586  257.624   10.616 28.96280 16.46491 
1 1 1    5   27   19 o  110.884   13.355   34.924   7.8384   35.428   10.999   34.404   11.173  112.597   18.078  109.171   19.663 3.426323 26.71032 
1 1 1    5   27   20 o  168.068   13.547   77.879   12.303   0.0000   0.0000   77.879   12.303  ?   ?   168.068   13.547      ?      ? 
1 1 1    5   27   21 f   76.503   16.398   16.966   7.3611   15.259   10.024   18.966   10.845   72.824   22.868   80.182   23.508 -7.358192 32.79599 
1 1 1    5   27   22 o  159.773   9.6024   70.598   8.2833   69.907   11.457   71.354   11.990  159.023   13.333  160.525   13.823 -1.501984 19.20480 
1 1 1    5   27   23 o   54.359   15.596   0.7626   7.8304  -8.7670   10.790   11.365   11.381   41.925   19.529   66.793   24.322 -24.86823 31.19174 
1 1 1    5   27   24 o   64.004   15.740   5.5113   8.8565   21.967   11.447 -19.0248   13.978   85.401   23.876   42.607   20.517 42.79346 31.48063 
1 1 1    5   27   25 o  142.815   13.584   63.275   9.1657   73.440   11.470   45.315   15.246  162.839   13.035  122.791   23.837 40.04762 27.16786 
1 1 1    5   27   26 o   57.776   15.436   4.5988   7.9791   15.039   9.9200 -14.5338   13.429   71.708   22.778   43.843   20.837 27.86438 30.87105 
1 1 1    5   27   27 o  197.734   10.118  109.222   10.700  108.356   14.139  110.383   16.368  197.293   13.262  198.175   15.285 -0.8818970 20.23625 
1 1 1    5   27   28 o   57.151   16.688   4.6162   8.4137   7.2140   10.982   0.9239   13.092   59.156   23.325   55.145   23.872 4.011753 33.37529 
1 1 1    5   27   29 o  144.848   13.305   61.408   10.223   68.941   13.881   52.477   15.113  155.766   16.492  133.930   20.883 21.83672 26.60945 
1 1 1    5   27   30 o   64.683   17.820   8.1835   9.1349   2.2047   12.013   16.381   14.066   54.238   23.163   75.128   27.087 -20.88977 35.64049 
1 1 1    5   27   31 o  195.792   10.315  102.594   10.612   82.635   13.287  137.748   17.633  171.040   14.376  220.545   14.796 -49.50536 20.63004 
1 1 1    5   27   32 o  146.423   12.664   63.812   9.6836   74.369   13.005   50.676   14.507  161.939   14.862  130.907   20.508 31.03163 25.32706 
1 1 1    5   27   33 o   78.645   18.565   19.539   9.2464   20.813   12.045   17.712   14.428   80.954   25.010   76.335   27.444 4.619057 37.13068 
1 1 1    5   27   34 o  227.747   9.7319  146.695   11.882  144.910   15.814  149.009   18.007  226.797   12.904  228.697   14.571 -1.900162 19.46373 
1 1 1    5   27   35 o   76.372   17.879   15.673   9.0676   6.1577   11.602   30.608   14.535   57.231   23.472   95.513   26.976 -38.28222 35.75804 
1 1 1    5   27   36 o  200.977   8.8577  113.464   9.4614  117.793   14.882  110.528   12.258  203.437   13.538  198.517   11.427 4.920746 17.71536 
1 1 1    5   27   37 o  256.058   9.9160  182.355   13.720   0.0000   0.0000  182.355   13.720  ?   ?   256.058   9.9160      ?      ? 
1 1 1    5   27   38 o  121.720   12.818   44.627   7.8699   61.109   11.490   30.060   10.802  145.757   14.588   97.683   21.082 48.07359 25.63681 
1 1 1    5   27   39 o   69.059   15.540   14.769   7.1751   5.9586   10.383   22.823   9.9268   54.254   22.222   83.865   21.729 -29.61153 31.08015 
1 1 1    5   27   40 o   59.167   15.947   9.6155   7.1124   11.572   10.103   7.6933   10.015   62.264   22.878   56.070   22.222 6.193642 31.89361 
1 1 1    5   27   41 o   60.292   15.958   9.6544   7.3036   17.006   10.909   3.6824   9.8325   70.888   23.964   49.696   21.081 21.19247 31.91689 
1 1 1    5   27   42 o   45.081   14.179  -2.1405   7.4106 -11.2220   10.893   5.6850   10.111   38.026   18.260   52.136   21.697 -14.11019 28.35778 
1 1 1    5   27   43 o  198.641   11.465  112.416   12.306   0.0000   0.0000  112.416   12.306  ?   ?   198.641   11.465      ?      ? 
1 1 1    5   27   44 o   41.048   13.352  -5.8760   7.1645 -14.7481   10.679   1.3851   9.6612   35.644   17.346   46.452   20.302 -10.80780 26.70327 
1 1 1    5   27   45 o   42.329   13.708  -2.0799   7.1724  -6.2044   10.287   1.8225   10.006   39.041   18.461   45.617   20.268 -6.575871 27.41580 
1 1 1    5   27   46 o   58.207   15.560   10.236   7.3667   1.5377   10.493   18.690   10.345   46.071   20.593   70.343   23.331 -24.27209 31.11937 
1 1 1    5   27   47 f   69.406   16.889   20.102   9.2614  -1.2959   18.677   27.080   10.665   53.094   25.036   85.719   22.675 -32.62507 33.77778 
1 1 1    5   27   48 o   71.599   19.672   24.949   10.859   24.414   19.781   25.180   12.992   68.126   29.417   75.072   26.126 -6.945061 39.34403 
1 1 1    5   28    0 o  187.456   8.7882   95.571   8.9021   0.0000   0.0000   95.571   8.9021  ?   ?   187.456   8.7882      ?      ? 
1 1 1    5   28    1 o  190.311   8.7768   98.505   9.0258   0.0000   0.0000   98.505   9.0258  ?   ?   190.311   8.7768      ?      ? 
1 1 1    5   28    2 o   64.135   20.236   11.425   7.8397   0.0000   0.0000   11.425   7.8397  ?   ?    64.135   20.236      ?      ? 
1 1 1    5   28    3 o  167.621   10.296   76.618   9.3256   0.0000   0.0000   76.618   9.3256  ?   ?   167.621   10.296      ?      ? 
1 1 1    5   28    4 o   56.896   19.865   8.1933   7.5139   0.0000   0.0000   8.1933   7.5139  ?   ?    56.896   19.865      ?      ? 
1 1 1    5   28    5 f   62.059   20.126   10.535   7.7140   0.0000   0.0000   10.535   7.7140  ?   ?    62.059   20.126      ?      ? 
1 1 1    5   28    6 o   63.288   20.302   11.049   7.8658   0.0000   0.0000   11.049   7.8658  ?   ?    63.288   20.302      ?      ? 
1 1 1    5   28    7 o   38.806   17.360  -2.9208   7.4728   0.0000   0.0000  -2.9208   7.4728  ?   ?    38.806   17.360      ?      ? 
1 1 1    5   28    8 o  105.708   19.919   32.236   10.961   0.0000   0.0000   32.236   10.961  ?   ?   105.708   19.919      ?      ? 
1 1 1    5   28    9 o  296.394   10.731  239.965   17.187   0.0000   0.0000  239.965   17.187  ?   ?   296.394   10.731      ?      ? 
1 1 1    5   28   10 f  115.483   21.086   38.608   12.673   0.0000   0.0000   38.608   12.673  ?   ?   115.483   21.086      ?      ? 
1 1 1    5   28   11 o  224.740   11.801  138.342   14.331   0.0000   0.0000  138.342   14.331  ?   ?   224.740   11.801      ?      ? 
1 1 1    5   28   14 o  186.843   13.279   96.111   13.407   0.0000   0.0000   96.111   13.407  ?   ?   186.843   13.279      ?      ? 
1 1 1    5   28   15 o  105.664   22.182   32.881   12.262   0.0000   0.0000   32.881   12.262  ?   ?   105.664   22.182      ?      ? 
1 1 1    5   28   16 o  202.486   9.4248  110.433   10.048  101.847   12.654  125.090   16.533  192.442   12.168  212.530   14.396 -20.08786 18.84963 
1 1 1    5   28   17 o  271.574   9.0275  203.722   13.198  207.117   18.000  199.775   19.410  274.289   12.144  268.859   13.360 5.429993 18.05493 
1 1 1    5   28   18 o  187.416   10.482   98.902   10.473  111.036   14.365   85.135   15.302  200.374   13.267  174.459   16.231 25.91525 20.96362 
1 1 1    5   28   19 o  105.079   15.898   35.915   8.9381   47.815   11.540   18.074   14.130  130.643   16.347   79.514   27.271 51.12930 31.79512 
1 1 1    5   28   20 o  118.782   15.040   42.082   9.1018   45.405   11.739   37.072   14.412  127.016   17.103  110.547   24.744 16.46867 30.07963 
1 1 1    5   28   21 o  268.035   9.2930  199.211   13.433  201.712   18.494  196.419   19.542  270.050   12.674  266.020   13.595 4.030365 18.58595 
1 1 1    5   28   22 o  136.768   13.284   53.524   9.7672   58.559   13.679   48.288   13.951  143.789   17.605  129.746   19.898 14.04294 26.56843 
1 1 1    5   28   23 o   68.090   17.901   11.248   8.7542   7.9279   11.464   15.892   13.558   61.139   23.916   75.041   26.643 -13.90209 35.80220 
1 1 1    5   28   24 o  143.059   13.021   59.552   9.6389   62.207   12.208   55.158   15.707  148.673   15.196  137.445   21.149 11.22806 26.04179 
1 1 1    5   28   25 o  134.697   14.734   43.332   9.4736   16.604   11.267  107.838   17.503   74.563   24.330  194.831   16.625 -120.2679 29.46770 
1 1 1    5   28   26 o   94.888   16.184   27.688   8.2100   25.586   11.457   29.909   11.771   90.996   23.222   98.780   22.549 -7.784439 32.36884 
1 1 1    5   28   27 o   93.889   15.943   27.168   8.0774   33.806   11.675   21.074   11.187  105.512   21.213   82.266   23.806 23.24609 31.88580 
1 1 1    5   28   28 o   44.686   14.309  -4.7798   7.5323  -0.1707   10.832  -9.0951   10.481   49.147   21.488   40.225   18.901 8.921574 28.61845 
1 1 1    5   28   29 o   71.601   16.589   15.186   7.7862   8.5074   11.275   21.275   10.766   60.738   23.729   82.464   23.189 -21.72616 33.17823 
1 1 1    5   28   30 o   65.672   16.425   11.876   7.4588   16.739   10.777   7.4058   10.334   73.657   23.778   57.687   22.664 15.96981 32.84902 
1 1 1    5   28   31 o  121.635   11.639   42.937   7.5493   50.903   10.745   35.173   10.608  133.548   14.890  109.722   17.893 23.82673 23.27783 
1 1 1    5   28   33 o  178.959   8.6435   90.427   8.3202   80.638   11.743  100.295   11.790  168.811   12.873  189.108   11.538 -20.29672 17.28710 
1 1 1    5   28   34 o   74.122   15.888   16.706   7.4121   8.4729   10.174   26.018   10.820   58.189   22.594   90.054   22.342 -31.86481 31.77505 
1 1 1    5   28   35 o   88.439   15.540   25.023   7.4041   26.556   10.345   23.413   10.602   91.646   21.295   85.233   22.637 6.413200 31.07942 
1 1 1    5   28   36 f   65.244   16.469   12.940   7.3312   12.731   10.166   13.166   10.582   64.773   23.063   65.715   23.516 -0.9420547 32.93797 
1 1 1    5   28   37 o   42.420   13.734  -3.9421   7.0884  -3.4945   10.140  -4.3698   9.9126   43.065   19.648   41.775   19.195 1.290474 27.46811 
1 1 1    5   28   38 o   65.337   15.959   11.932   7.6401   21.901   10.863   2.1751   10.747   80.770   23.484   49.904   21.616 30.86636 31.91729 
1 1 1    5   28   39 o   54.335   15.150   3.4191   7.6127  -9.0483   10.619   16.601   10.919   39.012   18.538   69.658   23.968 -30.64627 30.30057 
1 1 1    5   28   40 o  193.148   8.6331  107.327   9.0078  109.820   12.930  104.976   12.556  195.283   12.253  191.012   12.165 4.270126 17.26621 
1 1 1    5   28   41 o   42.600   13.910  -4.9742   7.5242  -8.2416   10.421  -1.4154   10.875   39.302   18.584   45.898   20.703 -6.595654 27.82039 
1 1 1    5   28   42 o   88.507   15.500   26.327   7.6986   16.669   10.577   37.210   11.227   69.735   23.596  107.280   20.106 -37.54527 31.00056 
1 1 1    5   28   43 o   55.115   15.728   9.3856   7.3631   12.810   10.290   5.7923   10.541   59.827   22.854   50.403   21.615 9.424046 31.45659 
1 1 1    5   28   44 o   56.224   16.763 -13.9987   8.8981   33.761   17.782 -29.9517   10.277   84.805   30.470   27.643   13.986 57.16211 33.52600 
1 1 1    5   28   45 o   89.353   17.171   35.229   11.223   5.3221   18.326   53.176   14.197   56.689   26.068  122.017   22.356 -65.32781 34.34105 
1 1 1    5   28   46 o   53.696   17.536   5.2760   11.004   11.227   20.040   2.7072   13.166   58.640   27.071   48.753   22.298 9.887222 35.07200 
1 1 1    5   29    0 o  179.812   9.1858   88.132   8.9254   0.0000   0.0000   88.132   8.9254  ?   ?   179.812   9.1858      ?      ? 
1 1 1    5   29    1 o  135.030   11.350   49.932   8.2816   0.0000   0.0000   49.932   8.2816  ?   ?   135.030   11.350      ?      ? 
1 1 1    5   29    2 o  174.410   10.099   83.075   9.5176   0.0000   0.0000   83.075   9.5176  ?   ?   174.410   10.099      ?      ? 
1 1 1    5   29    3 o  192.384   8.9139  100.850   9.2667   0.0000   0.0000  100.850   9.2667  ?   ?   192.384   8.9139      ?      ? 
1 1 1    5   29    4 o   66.534   19.878   12.669   7.6953   0.0000   0.0000   12.669   7.6953  ?   ?    66.534   19.878      ?      ? 
1 1 1    5   29    5 o   77.366   19.334   17.472   8.0604   0.0000   0.0000   17.472   8.0604  ?   ?    77.366   19.334      ?      ? 
1 1 1    5   29    6 o  133.849   11.654   49.144   8.4289   0.0000   0.0000   49.144   8.4289  ?   ?   133.849   11.654      ?      ? 
1 1 1    5   29    7 o   70.733   19.177   14.563   7.5141   0.0000   0.0000   14.563   7.5141  ?   ?    70.733   19.177      ?      ? 
1 1 1    5   29    8 o  127.363   12.410   44.633   8.5412   0.0000   0.0000   44.633   8.5412  ?   ?   127.363   12.410      ?      ? 
1 1 1    5   29    9 o   48.336   21.716  -4.2950   11.828   0.0000   0.0000  -4.2950   11.828  ?   ?    48.336   21.716      ?      ? 
1 1 1    5   29   10 o   92.265   22.131   25.336   10.892   0.0000   0.0000   25.336   10.892  ?   ?    92.265   22.131      ?      ? 
1 1 1    5   29   11 o  205.767   8.5362  115.496   9.4913   0.0000   0.0000  115.496   9.4913  ?   ?   205.767   8.5362      ?      ? 
1 1 1    5   29   12 f  221.673   8.1127  133.945   9.7178   0.0000   0.0000  133.945   9.7178  ?   ?   221.673   8.1127      ?      ? 
1 1 1    5   29   13 o   61.659   19.819   10.692   7.4931   0.0000   0.0000   10.692   7.4931  ?   ?    61.659   19.819      ?      ? 
1 1 1    5   29   14 o  189.928   8.7106   98.503   8.9398   0.0000   0.0000   98.503   8.9398  ?   ?   189.928   8.7106      ?      ? 
1 1 1    5   29   15 o   68.642   19.372   13.810   7.4989   0.0000   0.0000   13.810   7.4989  ?   ?    68.642   19.372      ?      ? 
1 1 1    5   29   16 o  201.187   11.163  111.384   12.136   0.0000   0.0000  111.384   12.136  ?   ?   201.187   11.163      ?      ? 
1 1 1    5   29   17 o   64.948   15.475   11.878   6.3335   9.6239   10.837   13.048   7.8053   63.053   23.594   66.844   20.030 -3.791237 30.95008 
1 1 1    5   29   18 o  108.716   11.666   32.159   6.6053   37.905   11.246   29.132   8.1612  115.411   18.033  102.022   14.804 13.38815 23.33136 
1 1 1    5   29   19 o  188.257   8.5346   97.167   7.8572  100.631   14.733   95.791   9.2885  189.597   14.380  186.917   9.1962 2.680252 17.06910 
1 1 1    5   29   20 o   44.588   14.299  -6.3029   7.6665 -12.7185   10.671   0.5418   11.022   38.398   18.340   50.778   21.942 -12.38013 28.59740 
1 1 1    5   29   21 o   77.517   13.525   15.851   7.5766   34.471   10.424  -5.0005   11.031  109.830   17.565   45.204   20.573 64.62628 27.05090 
1 1 1    5   29   23 o  100.080   14.809   30.476   7.8542   34.600   10.667   25.592   11.608  109.546   18.020   90.615   23.506 18.93098 29.61812 
1 1 1    5   29   25 o   65.722   16.709   11.953   7.5728   10.147   10.376   14.013   11.078   62.216   23.125   69.228   24.124 -7.011703 33.41731 
1 1 1    5   29   26 o  144.736   15.103   59.556   11.812   0.0000   0.0000   59.556   11.812  ?   ?   144.736   15.103      ?      ? 
1 1 1    5   29   27 o   91.505   15.039   25.459   7.4387   17.156   10.008   35.707   11.119   74.296   22.773  108.713   19.651 -34.41718 30.07899 
1 1 1    5   29   28 o   59.884   16.168   9.0564   7.2657   8.5002   9.9238   9.6990   10.667   58.521   22.422   61.248   23.299 -2.727028 32.33605 
1 1 1    5   29   29 o   87.956   15.669   24.646   7.4569   26.536   10.152   22.431   10.989   92.319   20.844   83.594   23.401 8.724808 31.33831 
1 1 1    5   29   30 f   68.452   16.391   13.345   7.7450   5.4335   10.762   21.844   11.154   54.852   22.564   82.051   23.779 -27.19938 32.78113 
1 1 1    5   29   31 f  136.606   11.089   53.815   8.1582   50.399   11.001   57.988   12.160  131.968   15.427  141.244   15.933 -9.276031 22.17771 
1 1 1    5   29   32 o  118.348   13.600   43.082   8.1145   27.668   11.260   59.738   11.704   92.764   22.658  143.933   15.049 -51.16841 27.19988 
1 1 1    5   29   33 o  152.934   10.473   67.535   8.6161   67.497   11.662   67.582   12.786  153.365   14.072  152.503   15.516 0.8624420 20.94609 
1 1 1    5   29   34 o  169.656   9.6201   82.976   8.7614   72.378   12.351   93.712   12.431  158.055   14.461  181.257   12.692 -23.20175 19.24027 
1 1 1    5   29   35 o   40.447   13.308  -9.6469   7.3214 -18.7772   10.009   0.8627   10.738   32.347   15.953   48.548   21.306 -16.20070 26.61680 
1 1 1    5   29   36 o   74.032   17.047   18.491   7.8806   15.015   10.762   22.510   11.572   67.537   23.763   80.528   24.448 -12.99072 34.09361 
1 1 1    5   29   37 o   64.450   15.900   12.375   7.3334   4.5340   9.9687   21.624   10.826   50.445   21.303   78.455   23.609 -28.00987 31.79921 
1 1 1    5   29   38 o   89.453   16.139   27.192   7.8213   26.107   10.811   28.382   11.330   87.665   22.657   91.241   22.989 -3.575157 32.27772 
1 1 1    5   29   39 o  191.765   9.0440  106.671   9.1882  131.363   13.131   82.984   12.861  214.981   11.304  168.549   14.121 46.43193 18.08800 
1 1 1    5   29   40 o   50.385   15.321   3.6362   7.6869   7.2872   10.381  -0.7950   11.437   54.113   22.199   46.656   21.121 7.457458 30.64141 
1 1 1    5   29   41 o   79.189   19.156   28.464   11.814   8.6937   17.918   43.671   15.715   57.691   26.242  100.687   27.913 -42.99604 38.31103 
1 1 1    5   29   42 o  109.582   18.901   50.600   12.307   30.698   18.598   66.104   16.415   80.874   30.765  138.290   21.967 -57.41590 37.80235 
1 1 1    5   29   43 o   61.323   18.073   11.719   11.420  -7.4662   18.106   24.392   14.716   48.691   23.422   73.955   27.530 -25.26352 36.14555 
1 1 1    5   30    0 o  144.710   11.033   57.541   8.6273   0.0000   0.0000   57.541   8.6273  ?   ?   144.710   11.033      ?      ? 
1 1 1    5   30    1 o   43.366   18.414   0.7376   7.5133   0.0000   0.0000   0.7376   7.5133  ?   ?    43.366   18.414      ?      ? 
1 1 1    5   30    2 o  197.716   8.7303  106.749   9.3274   0.0000   0.0000  106.749   9.3274  ?   ?   197.716   8.7303      ?      ? 
1 1 1    5   30    3 o  227.385   8.7329  141.198   10.730   0.0000   0.0000  141.198   10.730  ?   ?   227.385   8.7329      ?      ? 
1 1 1    5   30    4 o   53.748   19.891   6.7759   7.6604   0.0000   0.0000   6.7759   7.6604  ?   ?    53.748   19.891      ?      ? 
1 1 1    5   30    5 o  211.974   9.5212  122.979   10.906   0.0000   0.0000  122.979   10.906  ?   ?   211.974   9.5212      ?      ? 
1 1 1    5   30    6 o  119.074   12.517   39.177   8.0536   0.0000   0.0000   39.177   8.0536  ?   ?   119.074   12.517      ?      ? 
1 1 1    5   30    7 o  180.814   9.3034   89.453   9.0899   0.0000   0.0000   89.453   9.0899  ?   ?   180.814   9.3034      ?      ? 
1 1 1    5   30    8 o   51.944   22.317   0.7323   11.273   0.0000   0.0000   0.7323   11.273  ?   ?    51.944   22.317      ?      ? 
1 1 1    5   30    9 o  189.335   11.781   98.898   12.053   0.0000   0.0000   98.898   12.053  ?   ?   189.335   11.781      ?      ? 
1 1 1    5   30   10 o  116.221   12.471   37.381   7.8320   0.0000   0.0000   37.381   7.8320  ?   ?   116.221   12.471      ?      ? 
1 1 1    5   30   11 o  186.165   9.1099   94.895   9.1643   0.0000   0.0000   94.895   9.1643  ?   ?   186.165   9.1099      ?      ? 
1 1 1    5   30   12 o   90.787   16.975   24.000   8.0214   0.0000   0.0000   24.000   8.0214  ?   ?    90.787   16.975      ?      ? 
1 1 1    5   30   13 o  133.600   11.421   49.331   8.2453   0.0000   0.0000   49.331   8.2453  ?   ?   133.600   11.421      ?      ? 
1 1 1    5   30   14 o  159.380   9.6973   69.805   8.3517   0.0000   0.0000   69.805   8.3517  ?   ?   159.380   9.6973      ?      ? 
1 1 1    5   30   15 o   58.085   19.580   9.3763   7.2821   0.0000   0.0000   9.3763   7.2821  ?   ?    58.085   19.580      ?      ? 
1 1 1    5   30   16 o  119.741   12.003   39.790   7.7664   0.0000   0.0000   39.790   7.7664  ?   ?   119.741   12.003      ?      ? 
1 1 1    5   30   17 o  111.680   12.625   34.742   7.6192   0.0000   0.0000   34.742   7.6192  ?   ?   111.680   12.625      ?      ? 
1 1 1    5   30   18 o  138.837   9.7754   53.237   6.8788   56.689   12.171   51.617   8.3383  141.228   15.948  136.447   11.309 4.780792 19.55085 
1 1 1    5   30   19 o   73.820   15.221   16.963   6.1479   13.939   11.862   18.073   7.1888   69.758   24.904   77.882   17.508 -8.123444 30.44218 
1 1 1    5   30   20 o  236.055   7.7121  150.282   8.8018  164.212   17.027  145.203   10.282  242.025   13.020  230.086   8.2699 11.93929 15.42414 
1 1 1    5   30   21 f  160.593   10.726   73.220   9.1878   88.986   13.335   58.971   12.677  177.682   13.889  143.503   16.348 34.17963 21.45127 
1 1 1    5   30   22 o   91.338   15.747   25.770   7.7571   20.763   10.616   31.506   11.362   81.426   23.074  101.249   21.435 -19.82314 31.49411 
1 1 1    5   30   23 o  170.049   9.6068   81.855   8.8001   86.815   12.264   76.589   12.635  175.726   12.915  164.372   14.225 11.35440 19.21350 
1 1 1    5   30   24 o  181.930   13.392   93.533   13.166   0.0000   0.0000   93.533   13.166  ?   ?   181.930   13.392      ?      ? 
1 1 1    5   30   25 o   66.217   16.478   12.723   7.6121   17.327   10.325   7.2405   11.267   74.163   23.196   58.272   23.410 15.89076 32.95621 
1 1 1    5   30   26 o  133.730   16.398   51.954   11.850   0.0000   0.0000   51.954   11.850  ?   ?   133.730   16.398      ?      ? 
1 1 1    5   30   27 o   94.791   15.705   28.478   8.0623   19.875   11.032   38.338   11.811   78.261   23.896  111.322   20.386 -33.06056 31.41003 
1 1 1    5   30   28 o  229.773   11.218  148.016   13.929   0.0000   0.0000  148.016   13.929  ?   ?   229.773   11.218      ?      ? 
1 1 1    5   30   29 o  230.652   7.9932  148.823   9.9358  134.426   13.709  164.754   14.421  218.708   11.600  242.597   11.001 -23.88893 15.98648 
1 1 1    5   30   30 o  114.564   14.637   41.116   8.7347   49.869   12.359   32.381   12.346  129.557   17.654   99.570   23.351 29.98670 29.27344 
1 1 1    5   30   31 o  167.188   9.7252   80.736   8.7511   85.168   12.109   75.891   12.661  172.565   12.986  161.811   14.480 10.75441 19.45036 
1 1 1    5   30   32 o   79.881   15.784   20.155   8.1195   6.5391   11.326   34.553   11.646   56.093   23.120  103.668   21.496 -47.57497 31.56879 
1 1 1    5   30   33 o   40.043   13.324  -7.4627   7.3625  -5.9807   9.6779  -9.4989   11.344   39.552   18.447   40.533   19.231 -0.9810486 26.64852 
1 1 1    5   30   34 o   47.815   15.032   0.5639   7.7967  -1.1086   10.742   2.4259   11.334   45.566   20.563   50.064   21.933 -4.497780 30.06426 
1 1 1    5   30   35 o   64.641   16.677   13.519   7.7026   16.618   10.638   10.103   11.167   69.768   23.665   59.515   23.504 10.25246 33.35327 
1 1 1    5   30   36 o   90.802   16.028   27.764   7.9173   22.659   10.993   33.265   11.412   81.112   23.635  100.493   21.654 -19.38153 32.05537 
1 1 1    5   30   37 o   88.417   18.737   30.356   9.8234   22.748   18.353   33.410   11.629   77.069   30.228   99.766   22.149 -22.69647 37.47455 
1 1 1    5   30   38 o   70.409   19.731   13.438   12.625   43.198   19.760  -7.0923   16.412   93.130   32.232   47.687   22.768 45.44275 39.46184 
1 1 1    5   30   39 f   86.804   21.808   35.298   12.880   49.550   20.260   25.631   16.686   99.133   32.640   74.475   28.930 24.65768 43.61509 
1 1 1    5   30   40 o   56.789   18.463   2.3694   12.712   13.646   20.121  -5.1216   16.399   64.375   28.664   49.202   23.280 15.17221 36.92675 
1 1 1    5   30   41 o   83.971   19.006   27.475   9.2821   19.685   11.145   45.113   16.771   69.344   24.194   98.599   29.319 -29.25510 38.01288 
1 1 1    5   31    0 o  114.200   13.231   36.355   8.1649   0.0000   0.0000   36.355   8.1649  ?   ?   114.200   13.231      ?      ? 
1 1 1    5   31    1 o  178.906   9.3117   87.841   9.0021   0.0000   0.0000   87.841   9.0021  ?   ?   178.906   9.3117      ?      ? 
1 1 1    5   31    2 o  276.873   8.1530  209.630   12.198   0.0000   0.0000  209.630   12.198  ?   ?   276.873   8.1530      ?      ? 
1 1 1    5   31    3 o   87.262   17.529   22.395   7.9784   0.0000   0.0000   22.395   7.9784  ?   ?    87.262   17.529      ?      ? 
1 1 1    5   31    4 o   58.994   20.553   9.4430   8.0407   0.0000   0.0000   9.4430   8.0407  ?   ?    58.994   20.553      ?      ? 
1 1 1    5   31    5 o   59.631   20.386   9.8368   7.8954   0.0000   0.0000   9.8368   7.8954  ?   ?    59.631   20.386      ?      ? 
1 1 1    5   31    6 o  239.990   15.787  162.830   20.473   0.0000   0.0000  162.830   20.473  ?   ?   239.990   15.787      ?      ? 
1 1 1    5   31    7 o  143.530   16.021   58.339   12.425   0.0000   0.0000   58.339   12.425  ?   ?   143.530   16.021      ?      ? 
1 1 1    5   31    8 o  144.569   14.172   58.619   11.071   0.0000   0.0000   58.619   11.071  ?   ?   144.569   14.172      ?      ? 
1 1 1    5   31    9 o   66.876   19.408   13.297   7.4257   0.0000   0.0000   13.297   7.4257  ?   ?    66.876   19.408      ?      ? 
1 1 1    5   31   10 o  179.707   9.1280   88.689   8.8640   0.0000   0.0000   88.689   8.8640  ?   ?   179.707   9.1280      ?      ? 
1 1 1    5   31   11 o   60.537   20.168   10.446   7.7268   0.0000   0.0000   10.446   7.7268  ?   ?    60.537   20.168      ?      ? 
1 1 1    5   31   12 o  114.926   13.076   36.976   8.1204   0.0000   0.0000   36.976   8.1204  ?   ?   114.926   13.076      ?      ? 
1 1 1    5   31   13 o  259.163   8.9181  184.614   12.489   0.0000   0.0000  184.614   12.489  ?   ?   259.163   8.9181      ?      ? 
1 1 1    5   31   14 o  184.971   9.8118   94.413   9.8071   0.0000   0.0000   94.413   9.8071  ?   ?   184.971   9.8118      ?      ? 
1 1 1    5   31   15 f   88.782   16.487   23.183   7.6187   0.0000   0.0000   23.183   7.6187  ?   ?    88.782   16.487      ?      ? 
1 1 1    5   31   16 o  115.554   12.797   37.413   7.9905   0.0000   0.0000   37.413   7.9905  ?   ?   115.554   12.797      ?      ? 
1 1 1    5   31   17 o  155.824   9.6402   67.021   8.1173   0.0000   0.0000   67.021   8.1173  ?   ?   155.824   9.6402      ?      ? 
1 1 1    5   31   18 o  154.326   10.064   65.932   8.3930   0.0000   0.0000   65.932   8.3930  ?   ?   154.326   10.064      ?      ? 
1 1 1    5   31   19 o  234.437   7.9089  151.690   8.9684  156.622   17.090  149.816   10.536  235.449   13.433  233.426   8.3527 2.023331 15.81789 
1 1 1    5   31   20 o   78.244   16.009   16.818   6.5795   26.892   12.698   13.120   7.6929   90.843   25.055   65.645   19.934 25.19730 32.01717 
1 1 1    5   31   21 o  194.018   8.2379   98.346   7.7498  122.185   15.316   90.142   8.9850  207.451   13.663  180.584   9.2076 26.86633 16.47572 
1 1 1    5   31   22 o   79.324   16.181   17.807   8.4586   34.955   12.646   3.9253   11.378  104.661   22.990   53.986   22.777 50.67583 32.36202 
1 1 1    5   31   23 f   75.498   17.087   18.212   7.9125   15.447   10.832   21.376   11.586   70.220   23.879   80.776   24.448 -10.55608 34.17496 
1 1 1    5   31   24 o   61.114   16.713   9.6461   7.8476   8.0881   10.748   11.425   11.485   58.293   23.047   63.936   24.211 -5.643276 33.42625 
1 1 1    5   31   25 o   64.700   16.412   10.167   7.7725   2.3055   10.267   20.723   11.897   49.968   21.378   79.432   24.908 -29.46418 32.82446 
1 1 1    5   31   26 o   76.672   25.155   19.326   12.037   0.0000   0.0000   19.326   12.037  ?   ?    76.672   25.155      ?      ? 
1 1 1    5   31   27 f  155.643   10.176   69.978   8.5532   68.228   11.854   71.880   12.354  153.697   14.273  157.589   14.507 -3.891373 20.35111 
1 1 1    5   31   28 o  155.829   14.632   70.545   12.321   70.545   12.321   0.0000   0.0000  155.829   14.632  ?   ?       ?      ? 
1 1 1    5   31   29 o   80.224   16.280   21.714   7.7328   27.621   10.593   14.975   11.314   92.171   21.639   68.277   24.328 23.89426 32.55916 
1 1 1    5   31   30 o   43.748   14.143  -3.1911   7.4944  -1.2573   10.045  -5.6187   11.255   44.477   19.995   43.020   20.007 1.456570 28.28593 
1 1 1    5   31   31 o   70.755   16.456   15.724   7.9751   6.0327   10.769   27.494   11.868   53.386   22.319   88.124   24.188 -34.73809 32.91204 
1 1 1    5   31   32 o   75.129   12.433   12.465   8.0434   40.368   10.983 -19.8126   11.812  114.793   17.706   35.465   17.460 79.32819 24.86648 
1 1 1    5   31   33 o   66.838   19.161   13.655   10.726   3.8514   21.263   17.001   12.422   63.056   28.645   70.619   25.456 -7.563698 38.32149 
1 1 1    5   31   34 o   60.875   17.960  -0.0569   12.348 -33.4234   19.144   23.716   16.159   42.786   21.270   78.964   28.946 -36.17837 35.92079 
1 1 1    5   31   35 f   79.781   21.251   28.625   12.368   32.928   18.943   25.428   16.329   83.186   31.182   76.377   28.882 6.808655 42.50254 
1 1 1    5   31   36 o   62.538   17.823   6.6148   12.672 -37.4324   20.694   33.041   16.029   41.123   20.685   83.952   29.031 -42.82956 35.64660 
1 1 1    5   31   37 o   85.428   17.780   30.384   9.7937   38.945   12.486   16.691   15.790  104.471   22.761   66.385   27.323 38.08564 35.56083 
1 1 1    5   31   38 o   45.380   14.424   0.4455   7.6309   6.0063   10.528  -5.7087   11.076   50.338   21.596   40.421   19.127 9.917725 28.84795 
1 1 1    5   31   39 o   53.688   15.819   9.4372   7.6411   10.740   10.578   8.0163   11.049   55.291   22.514   52.085   22.228 3.206196 31.63805 
1 1 1    5   32    0 o  170.132   9.6594   79.824   8.8802   0.0000   0.0000   79.824   8.8802  ?   ?   170.132   9.6594      ?      ? 
1 1 1    5   32    1 o  133.003   11.501   49.200   8.2655   0.0000   0.0000   49.200   8.2655  ?   ?   133.003   11.501      ?      ? 
1 1 1    5   32    2 o   98.383   14.551   27.383   7.7359   0.0000   0.0000   27.383   7.7359  ?   ?    98.383   14.551      ?      ? 
1 1 1    5   32    3 o  171.992   9.5561   81.549   8.8813   0.0000   0.0000   81.549   8.8813  ?   ?   171.992   9.5561      ?      ? 
1 1 1    5   32    4 o  193.986   10.962  104.395   11.491   0.0000   0.0000  104.395   11.491  ?   ?   193.986   10.962      ?      ? 
1 1 1    5   32    5 o  157.785   10.249   68.843   8.7384   0.0000   0.0000   68.843   8.7384  ?   ?   157.785   10.249      ?      ? 
1 1 1    5   32    6 o  149.486   15.448   63.609   12.478   0.0000   0.0000   63.609   12.478  ?   ?   149.486   15.448      ?      ? 
1 1 1    5   32    7 o   94.373   22.159   27.619   11.107   0.0000   0.0000   27.619   11.107  ?   ?    94.373   22.159      ?      ? 
1 1 1    5   32    8 o  255.385   8.4071  179.064   11.602   0.0000   0.0000  179.064   11.602  ?   ?   255.385   8.4071      ?      ? 
1 1 1    5   32    9 o   80.705   18.426   19.634   7.8591   0.0000   0.0000   19.634   7.8591  ?   ?    80.705   18.426      ?      ? 
1 1 1    5   32   10 o  139.405   11.002   54.020   8.2880   0.0000   0.0000   54.020   8.2880  ?   ?   139.405   11.002      ?      ? 
1 1 1    5   32   11 o  125.643   11.705   44.080   7.9471   0.0000   0.0000   44.080   7.9471  ?   ?   125.643   11.705      ?      ? 
1 1 1    5   32   12 o  145.454   10.558   58.762   8.2985   0.0000   0.0000   58.762   8.2985  ?   ?   145.454   10.558      ?      ? 
1 1 1    5   32   13 o   70.090   19.842   15.079   7.8546   0.0000   0.0000   15.079   7.8546  ?   ?    70.090   19.842      ?      ? 
1 1 1    5   32   14 o   63.107   19.253   12.027   7.1641   0.0000   0.0000   12.027   7.1641  ?   ?    63.107   19.253      ?      ? 
1 1 1    5   32   15 o   29.034   14.142 -11.7582   7.1468   0.0000   0.0000 -11.7582   7.1468  ?   ?    29.034   14.142      ?      ? 
1 1 1    5   32   16 o   33.338   15.732  -7.1175   7.4000   0.0000   0.0000  -7.1175   7.4000  ?   ?    33.338   15.732      ?      ? 
1 1 1    5   32   17 o   55.453   19.778   8.5405   7.4798   0.0000   0.0000   8.5405   7.4798  ?   ?    55.453   19.778      ?      ? 
1 1 1    5   32   18 o  164.426   9.5071   75.002   8.4471   0.0000   0.0000   75.002   8.4471  ?   ?   164.426   9.5071      ?      ? 
1 1 1    5   32   19 o   41.329   17.611   1.1391   6.9169   0.0000   0.0000   1.1391   6.9169  ?   ?    41.329   17.611      ?      ? 
1 1 1    5   32   20 o   61.022   15.914   10.335   6.5498   9.8716   12.184   10.523   7.7675   62.400   24.580   59.645   20.221 2.755264 31.82883 
1 1 1    5   32   21 o  188.547   8.7541   97.427   7.9495  107.478   15.467   93.820   9.2672  193.148   14.819  183.947   9.3233 9.200592 17.50825 
1 1 1    5   32   22 o  181.061   9.0900   94.176   7.9311   91.013   14.889   95.429   9.3712  176.773   15.587  185.350   9.3566 -8.577225 18.17992 
1 1 1    5   32   23 o   80.709   15.855   18.929   8.5532   38.604   12.752   2.8382   11.532  109.259   22.352   52.158   22.492 57.10084 31.70966 
1 1 1    5   32   24 o  170.363   9.6982   83.674   8.9061   84.808   12.240   82.398   12.984  172.003   13.169  168.722   14.241 3.281830 19.39635 
1 1 1    5   32   25 o   65.773   16.875   13.261   7.7021   11.256   10.265   15.846   11.652   61.753   22.992   69.794   24.708 -8.040119 33.75012 
1 1 1    5   32   26 o   61.442   15.842   10.084   7.7876   19.263   10.470  -1.2827   11.651   75.326   23.326   47.557   21.442 27.76916 31.68384 
1 1 1    5   32   27 o   52.244   15.661   4.0904   7.9490   9.4188   10.920  -1.9166   11.594   58.120   23.150   46.368   21.098 11.75232 31.32154 
1 1 1    5   32   28 o   46.455   14.638  -0.6693   7.6469   4.1088   10.362  -6.3826   11.331   50.603   21.559   42.308   19.807 8.295734 29.27658 
1 1 1    5   32   29 o   81.646   20.120   25.957   10.993   17.234   22.668   28.639   12.570   73.246   31.560   90.047   24.965 -16.80090 40.23981 
1 1 1    5   32   30 o  187.408   15.512  101.792   14.763  169.369   25.518   67.793   18.100  231.546   20.395  143.271   23.379 88.27522 31.02476 
1 1 1    5   32   31 o   59.118   25.931   6.3288   15.886   0.0000   0.0000   6.3288   15.886  ?   ?    59.118   25.931      ?      ? 
1 1 1    5   32   32 o  116.097   18.138   63.504   13.720   20.802   22.376   89.234   17.369   68.884   30.472  163.310   19.682 -94.42646 36.27534 
1 1 1    5   32   33 o   61.435   19.227   13.230   12.766   5.7905   22.425   16.797   15.528   58.456   27.524   64.413   26.854 -5.957363 38.45375 
1 1 1    5   32   34 o   58.346   16.327   10.936   7.6920   8.4889   10.863   13.397   10.893   54.873   22.633   61.818   23.538 -6.944950 32.65398 
1 1 1    5   32   35 f   62.966   16.648   14.700   7.7068   11.060   10.563   18.843   11.269   57.032   22.752   68.899   24.309 -11.86753 33.29546 
1 1 1    5   32   36 o   48.648   15.100   4.6409   7.7328   0.7994   10.901   8.5313   10.971   44.611   20.360   52.684   22.304 -8.072914 30.19912 
1 1 1    5   33    0 o  119.898   12.593   40.481   8.1590   0.0000   0.0000   40.481   8.1590  ?   ?   119.898   12.593      ?      ? 
1 1 1    5   33    1 o   38.593   17.236  -1.8857   7.3344   0.0000   0.0000  -1.8857   7.3344  ?   ?    38.593   17.236      ?      ? 
1 1 1    5   33    2 o   40.938   17.802  -0.0547   7.3474   0.0000   0.0000  -0.0547   7.3474  ?   ?    40.938   17.802      ?      ? 
1 1 1    5   33    3 o   98.665   14.527   27.797   7.7450   0.0000   0.0000   27.797   7.7450  ?   ?    98.665   14.527      ?      ? 
1 1 1    5   33    4 o  175.686   12.099   86.706   11.487   0.0000   0.0000   86.706   11.487  ?   ?   175.686   12.099      ?      ? 
1 1 1    5   33    5 o   67.650   23.383   13.845   10.398   0.0000   0.0000   13.845   10.398  ?   ?    67.650   23.383      ?      ? 
1 1 1    5   33    6 o   34.908   16.970 -15.3645   10.155   0.0000   0.0000 -15.3645   10.155  ?   ?    34.908   16.970      ?      ? 
1 1 1    5   33    7 o  115.761   12.841   37.880   8.0326   0.0000   0.0000   37.880   8.0326  ?   ?   115.761   12.841      ?      ? 
1 1 1    5   33    8 o   86.194   17.260   22.378   7.7586   0.0000   0.0000   22.378   7.7586  ?   ?    86.194   17.260      ?      ? 
1 1 1    5   33    9 o  167.615   9.7115   77.982   8.7960   0.0000   0.0000   77.982   8.7960  ?   ?   167.615   9.7115      ?      ? 
1 1 1    5   33   10 o  131.118   11.406   48.230   8.0810   0.0000   0.0000   48.230   8.0810  ?   ?   131.118   11.406      ?      ? 
1 1 1    5   33   11 o   75.980   19.532   17.982   8.0634   0.0000   0.0000   17.982   8.0634  ?   ?    75.980   19.532      ?      ? 
1 1 1    5   33   12 o  114.315   13.310   37.179   8.2219   0.0000   0.0000   37.179   8.2219  ?   ?   114.315   13.310      ?      ? 
1 1 1    5   33   13 o  121.019   12.323   41.360   8.0585   0.0000   0.0000   41.360   8.0585  ?   ?   121.019   12.323      ?      ? 
1 1 1    5   33   14 o   63.564   19.939   12.373   7.6225   0.0000   0.0000   12.373   7.6225  ?   ?    63.564   19.939      ?      ? 
1 1 1    5   33   15 o  123.771   12.315   43.287   8.2365   0.0000   0.0000   43.287   8.2365  ?   ?   123.771   12.315      ?      ? 
1 1 1    5   33   16 o   89.716   17.148   24.347   8.0102   0.0000   0.0000   24.347   8.0102  ?   ?    89.716   17.148      ?      ? 
1 1 1    5   33   17 o   68.075   19.830   14.596   7.7393   0.0000   0.0000   14.596   7.7393  ?   ?    68.075   19.830      ?      ? 
1 1 1    5   33   18 o   51.334   19.651   6.6149   7.6183   0.0000   0.0000   6.6149   7.6183  ?   ?    51.334   19.651      ?      ? 
1 1 1    5   33   19 o   54.557   19.688   8.4456   7.4330   0.0000   0.0000   8.4456   7.4330  ?   ?    54.557   19.688      ?      ? 
1 1 1    5   33   20 o   70.687   18.985   15.766   7.4052   0.0000   0.0000   15.766   7.4052  ?   ?    70.687   18.985      ?      ? 
1 1 1    5   33   21 o  165.721   9.7012   81.066   7.7042   75.586   14.393   83.267   9.1208  158.999   16.752  172.443   9.7882 -13.44350 19.40233 
1 1 1    5   33   22 o   55.453   13.537   8.5677   6.2499 -10.6487   11.861   15.954   7.3537   40.545   19.357   70.360   18.928 -29.81499 27.07311 
1 1 1    5   33   23 o   72.850   15.160   18.989   6.6791   11.556   11.578   22.696   8.1770   61.491   24.039   84.209   18.477 -22.71887 30.31977 
1 1 1    5   33   24 o   64.495   20.337   13.576   7.9192   0.0000   0.0000   13.576   7.9192  ?   ?    64.495   20.337      ?      ? 
1 1 1    5   33   25 o   51.457   17.299 -16.3782   13.847 -38.4910   20.415   2.4640   18.845   43.181   21.546   59.733   27.070 -16.55177 34.59782 
1 1 1    5   33   26 o  140.863   19.674   65.054   15.063  126.013   24.996   30.293   18.876  194.780   23.749   86.946   31.374 107.8341 39.34881 
1 1 1    5   33   27 o   66.635   20.657   9.8721   13.894   18.968   22.347   4.1396   17.740   73.838   31.564   59.433   26.656 14.40460 41.31367 
1 1 1    5   33   28 o   78.936   22.057   29.166   14.549   19.831   22.517   35.856   19.062   70.266   30.845   87.607   31.539 -17.34093 44.11487 
1 1 1    5   33   29 o   94.216   19.006   33.274   9.9825   22.083   12.113   56.959   17.623   72.927   25.236  115.504   28.427 -42.57767 38.01279 
1 1 1    5   33   30 o   34.637   12.082 -18.8931   8.0278 -10.6966   11.694 -26.1992   11.040   38.827   18.714   30.447   15.287 8.379637 24.16384 
1 1 1    5   33   31 o   68.069   17.174   17.486   8.0745   14.513   11.644   20.240   11.207   63.348   24.284   72.790   24.291 -9.441795 34.34746 
1 1 1    5   33   32 o   79.515   15.922   23.460   8.4793   41.420   12.409   7.7286   11.614  106.125   22.345   52.905   22.689 53.22020 31.84441 
1 1 1    5   33   33 o   73.573   17.305   22.750   8.0532   23.517   11.341   21.970   11.437   74.998   24.407   72.148   24.537 2.850471 34.60901 
1 1 1    5   34    0 o  103.576   14.522   30.816   8.1277   0.0000   0.0000   30.816   8.1277  ?   ?   103.576   14.522      ?      ? 
1 1 1    5   34    1 o  135.859   11.581   51.876   8.5017   0.0000   0.0000   51.876   8.5017  ?   ?   135.859   11.581      ?      ? 
1 1 1    5   34    2 o  113.404   13.493   36.650   8.2682   0.0000   0.0000   36.650   8.2682  ?   ?   113.404   13.493      ?      ? 
1 1 1    5   34    3 o  163.538   10.266   74.562   9.0725   0.0000   0.0000   74.562   9.0725  ?   ?   163.538   10.266      ?      ? 
1 1 1    5   34    4 o   44.590   20.482  -4.9576   11.272   0.0000   0.0000  -4.9576   11.272  ?   ?    44.590   20.482      ?      ? 
1 1 1    5   34    5 o  144.027   23.889   65.911   18.592   0.0000   0.0000   65.911   18.592  ?   ?   144.027   23.889      ?      ? 
1 1 1    5   34    6 o   71.683   19.560   16.088   7.7874   0.0000   0.0000   16.088   7.7874  ?   ?    71.683   19.560      ?      ? 
1 1 1    5   34    7 f  171.658   9.8264   82.091   9.1147   0.0000   0.0000   82.091   9.1147  ?   ?   171.658   9.8264      ?      ? 
1 1 1    5   34    8 o   73.673   19.632   17.118   7.9566   0.0000   0.0000   17.118   7.9566  ?   ?    73.673   19.632      ?      ? 
1 1 1    5   34    9 o   65.328   20.527   13.419   8.0751   0.0000   0.0000   13.419   8.0751  ?   ?    65.328   20.527      ?      ? 
1 1 1    5   34   10 o   43.009   18.439   1.3171   7.6659   0.0000   0.0000   1.3171   7.6659  ?   ?    43.009   18.439      ?      ? 
1 1 1    5   34   11 o   83.792   18.691   21.932   8.2478   0.0000   0.0000   21.932   8.2478  ?   ?    83.792   18.691      ?      ? 
1 1 1    5   34   12 o  111.461   13.676   35.773   8.2369   0.0000   0.0000   35.773   8.2369  ?   ?   111.461   13.676      ?      ? 
1 1 1    5   34   13 o  124.469   12.438   44.151   8.3654   0.0000   0.0000   44.151   8.3654  ?   ?   124.469   12.438      ?      ? 
1 1 1    5   34   14 o   36.518   16.774  -3.7985   7.5597   0.0000   0.0000  -3.7985   7.5597  ?   ?    36.518   16.774      ?      ? 
1 1 1    5   34   15 o   51.551   19.313   7.1770   7.2648   0.0000   0.0000   7.1770   7.2648  ?   ?    51.551   19.313      ?      ? 
1 1 1    5   34   16 o   51.097   19.680   6.8475   7.6715   0.0000   0.0000   6.8475   7.6715  ?   ?    51.097   19.680      ?      ? 
1 1 1    5   34   17 o   58.262   20.232   10.677   7.7891   0.0000   0.0000   10.677   7.7891  ?   ?    58.262   20.232      ?      ? 
1 1 1    5   34   18 o   29.320   14.397 -13.6321   7.8636   0.0000   0.0000 -13.6321   7.8636  ?   ?    29.320   14.397      ?      ? 
1 1 1    5   34   19 o   61.467   22.922   11.787   10.211   0.0000   0.0000   11.787   10.211  ?   ?    61.467   22.922      ?      ? 
1 1 1    5   34   20 o   33.757   16.518 -15.7723   10.076   0.0000   0.0000 -15.7723   10.076  ?   ?    33.757   16.518      ?      ? 
1 1 1    5   34   21 o  123.810   16.549   46.034   11.072   0.0000   0.0000   46.034   11.072  ?   ?   123.810   16.549      ?      ? 
1 1 1    5   34   22 f  129.891   15.821   50.352   11.105   0.0000   0.0000   50.352   11.105  ?   ?   129.891   15.821      ?      ? 
1 1 1    5   34   23 o   41.205   19.112  -4.4830   10.163   0.0000   0.0000  -4.4830   10.163  ?   ?    41.205   19.112      ?      ? 
1 1 1    5   34   24 o   51.578   15.347   5.2489   8.0650  -8.0315   13.656   12.362   9.9941   43.561   20.789   59.595   22.581 -16.03389 30.69345 
1 1 1    5   34   25 o   85.520   16.249   28.032   7.1894   27.860   14.447   28.089   8.2887   78.730   27.542   92.310   17.251 -13.57980 32.49881 
1 1 1    5   34   26 o   54.925   16.136   8.5555   7.8399   7.9360   10.455   9.3513   11.850   53.533   22.153   56.316   23.467 -2.782623 32.27108 
1 1 1    5   34   27 o   44.303   14.246  -1.3320   7.6148   2.9358   10.371  -6.3237   11.216   47.672   20.930   40.934   19.332 6.738525 28.49203 
1 1 1    5   34   28 o   59.513   16.465   12.437   7.7710   8.5953   10.605   16.893   11.421   53.572   22.251   65.453   24.275 -11.88134 32.92974 
1 1 1    5   34   29 o   54.777   15.812   9.9261   7.6439   14.328   10.522   5.0066   11.124   60.617   23.121   48.938   21.575 11.67918 31.62326 
1 1 1    5   35    0 o  117.794   13.516   40.107   8.6034   0.0000   0.0000   40.107   8.6034  ?   ?   117.794   13.516      ?      ? 
1 1 1    5   35    1 o  104.064   14.959   31.775   8.4118   0.0000   0.0000   31.775   8.4118  ?   ?   104.064   14.959      ?      ? 
1 1 1    5   35    2 o   54.589   20.478   8.2997   8.1726   0.0000   0.0000   8.2997   8.1726  ?   ?    54.589   20.478      ?      ? 
1 1 1    5   35    3 o  115.185   20.543   42.480   12.317   0.0000   0.0000   42.480   12.317  ?   ?   115.185   20.543      ?      ? 
1 1 1    5   35    4 o  156.595   13.649   71.241   11.549   0.0000   0.0000   71.241   11.549  ?   ?   156.595   13.649      ?      ? 
1 1 1    5   35    5 o   57.422   20.594   10.001   8.1197   0.0000   0.0000   10.001   8.1197  ?   ?    57.422   20.594      ?      ? 
1 1 1    5   35    6 o   49.571   19.935   5.5696   8.1792   0.0000   0.0000   5.5696   8.1792  ?   ?    49.571   19.935      ?      ? 
1 1 1    5   35    7 o  165.589   10.310   77.533   9.2251   0.0000   0.0000   77.533   9.2251  ?   ?   165.589   10.310      ?      ? 
1 1 1    5   35    8 o   35.402   16.595  -5.7151   7.9980   0.0000   0.0000  -5.7151   7.9980  ?   ?    35.402   16.595      ?      ? 
1 1 1    5   35    9 o   53.241   20.264   7.9740   8.0710   0.0000   0.0000   7.9740   8.0710  ?   ?    53.241   20.264      ?      ? 
1 1 1    5   35   10 o   42.282   18.516   0.6614   8.0702   0.0000   0.0000   0.6614   8.0702  ?   ?    42.282   18.516      ?      ? 
1 1 1    5   35   11 o   88.392   18.946   25.023   8.7773   0.0000   0.0000   25.023   8.7773  ?   ?    88.392   18.946      ?      ? 
1 1 1    5   35   12 f   95.346   22.257   30.533   11.259   0.0000   0.0000   30.533   11.259  ?   ?    95.346   22.257      ?      ? 
1 1 1    5   35   13 o   47.896   20.991   1.4682   10.392   0.0000   0.0000   1.4682   10.392  ?   ?    47.896   20.991      ?      ? 
1 1 1    5   35   14 o   60.934   22.506   11.406   9.7970   0.0000   0.0000   11.406   9.7970  ?   ?    60.934   22.506      ?      ? 
1 1 1    5   35   15 o  104.041   20.132   34.730   10.909   0.0000   0.0000   34.730   10.909  ?   ?   104.041   20.132      ?      ? 
1 1 1    5   35   16 o   39.896   18.741  -6.9748   10.290   0.0000   0.0000  -6.9748   10.290  ?   ?    39.896   18.741      ?      ? 
1 1 1    5   35   17 o   61.567   23.207   12.051   10.522   0.0000   0.0000   12.051   10.522  ?   ?    61.567   23.207      ?      ? 
1 1 1    5   35   18 o   71.294   22.143   18.106   9.4274   0.0000   0.0000   18.106   9.4274  ?   ?    71.294   22.143      ?      ? 
1 1 1    5   35   19 o   65.316   21.286   15.543   8.6248   0.0000   0.0000   15.543   8.6248  ?   ?    65.316   21.286      ?      ? 
1 1 1    5   35   20 o   42.741   18.557   2.5507   7.9585   0.0000   0.0000   2.5507   7.9585  ?   ?    42.741   18.557      ?      ? 
1 1 1    5   35   21 o  113.949   13.707   39.050   8.4398   0.0000   0.0000   39.050   8.4398  ?   ?   113.949   13.707      ?      ? 
1 1 1    5   35   22 o   74.510   19.840   19.047   8.1305   0.0000   0.0000   19.047   8.1305  ?   ?    74.510   19.840      ?      ? 
1 1 1    5   35   23 o   61.000   15.806   13.574   6.9357   8.9032   12.564   15.622   8.3179   55.860   23.768   66.141   20.841 -10.28118 31.61113 
1 1 1    5   35   24 o   66.798   16.518   17.082   7.0653   20.101   12.272   15.585   8.6411   69.005   25.236   64.592   21.319 4.413239 33.03546 
1 1 1    5   35   25 o   59.740   16.349   9.6278   7.1007   26.149   13.496   3.3043   8.3498   75.751   26.614   43.729   18.997 32.02228 32.69830 
1 1 1    5   36    0 f   57.362   21.659   9.5101   9.1749   0.0000   0.0000   9.5101   9.1749  ?   ?    57.362   21.659      ?      ? 
1 1 1    5   36    1 o   51.886   22.057   4.3103   10.803   0.0000   0.0000   4.3103   10.803  ?   ?    51.886   22.057      ?      ? 
1 1 1    5   36    3 o   66.069   29.708   7.4099   22.190   0.0000   0.0000   7.4099   22.190  ?   ?    66.069   29.708      ?      ? 
1 1 1    5   36    4 o   47.459   21.328  -0.7396   11.417   0.0000   0.0000  -0.7396   11.417  ?   ?    47.459   21.328      ?      ? 
1 1 1    5   36    5 o   61.191   24.018   10.970   11.595   0.0000   0.0000   10.970   11.595  ?   ?    61.191   24.018      ?      ? 
1 1 1    5   36    6 o   55.873   23.265   7.0082   11.635   0.0000   0.0000   7.0082   11.635  ?   ?    55.873   23.265      ?      ? 
1 1 1    5   36    7 o   67.517   24.364   15.553   11.383   0.0000   0.0000   15.553   11.383  ?   ?    67.517   24.364      ?      ? 
1 1 1    5   36    8 o   53.659   22.538   6.2348   11.060   0.0000   0.0000   6.2348   11.060  ?   ?    53.659   22.538      ?      ? 
1 1 1    5   36    9 o  150.114   15.626   68.547   12.675   0.0000   0.0000   68.547   12.675  ?   ?   150.114   15.626      ?      ? 
1 1 1    5   36   10 o   57.242   23.285   10.115   11.301   0.0000   0.0000   10.115   11.301  ?   ?    57.242   23.285      ?      ? 
1 1 1    5   36   11 o   38.338   18.077  -5.4819   9.7352   0.0000   0.0000  -5.4819   9.7352  ?   ?    38.338   18.077      ?      ? 
1 1 1    5   36   12 o   37.591   17.214  -1.7838   7.8798   0.0000   0.0000  -1.7838   7.8798  ?   ?    37.591   17.214      ?      ? 
1 1 1    5   36   13 o  133.138   12.442   52.862   8.9510   0.0000   0.0000   52.862   8.9510  ?   ?   133.138   12.442      ?      ? 
1 1 1    5   36   14 o   40.589   18.146   0.1346   8.1514   0.0000   0.0000   0.1346   8.1514  ?   ?    40.589   18.146      ?      ? 
1 1 1    5   36   15 o  117.867   13.666   41.603   8.7043   0.0000   0.0000   41.603   8.7043  ?   ?   117.867   13.666      ?      ? 
1 1 1    5   36   16 o   91.411   17.757   27.185   8.4549   0.0000   0.0000   27.185   8.4549  ?   ?    91.411   17.757      ?      ? 
1 1 1    5   36   17 o  130.497   11.849   50.002   8.3556   0.0000   0.0000   50.002   8.3556  ?   ?   130.497   11.849      ?      ? 
1 1 1    5   36   18 o   34.656   16.381  -5.3993   8.0843   0.0000   0.0000  -5.3993   8.0843  ?   ?    34.656   16.381      ?      ? 
1 1 1    5   36   19 o   91.744   17.613   28.316   8.4144   0.0000   0.0000   28.316   8.4144  ?   ?    91.744   17.613      ?      ? 
1 1 1    5   37    0 o   52.338   21.897   6.8568   10.376   0.0000   0.0000   6.8568   10.376  ?   ?    52.338   21.897      ?      ? 
1 1 1    5   37    1 o   77.451   25.650   23.680   12.505   0.0000   0.0000   23.680   12.505  ?   ?    77.451   25.650      ?      ? 
1 1 1    5   37    2 o   38.104   18.135  -7.7643   10.242   0.0000   0.0000  -7.7643   10.242  ?   ?    38.104   18.135      ?      ? 
1 1 1    5   37    3 o   92.440   17.482   27.624   8.4126   0.0000   0.0000   27.624   8.4126  ?   ?    92.440   17.482      ?      ? 
1 1 1    5   37    4 o  118.752   13.483   42.103   8.6522   0.0000   0.0000   42.103   8.6522  ?   ?   118.752   13.483      ?      ? 
1 1 1    5   37    5 o   78.557   19.707   21.091   8.3513   0.0000   0.0000   21.091   8.3513  ?   ?    78.557   19.707      ?      ? 
1 1 1    5   37    6 o   48.011   19.514   5.7983   7.9292   0.0000   0.0000   5.7983   7.9292  ?   ?    48.011   19.514      ?      ? 
1 1 1    5   37    7 o   54.679   20.389   9.7771   8.0780   0.0000   0.0000   9.7771   8.0780  ?   ?    54.679   20.389      ?      ? 
1 1 1    5   37    8 o   60.910   20.902   13.243   8.3011   0.0000   0.0000   13.243   8.3011  ?   ?    60.910   20.902      ?      ? 
1 1 1    5   37    9 o   49.795   20.051   7.2348   8.2855   0.0000   0.0000   7.2348   8.2855  ?   ?    49.795   20.051      ?      ? 
1 1 1    5   37   10 o   33.032   15.842  -7.4987   8.1434   0.0000   0.0000  -7.4987   8.1434  ?   ?    33.032   15.842      ?      ? 
1 1 1    5   37   11 o   35.954   16.865  -4.0739   8.2831   0.0000   0.0000  -4.0739   8.2831  ?   ?    35.954   16.865      ?      ? 
1 1 1    5   37   12 o  101.430   15.656   32.886   8.5811   0.0000   0.0000   32.886   8.5811  ?   ?   101.430   15.656      ?      ? 
1 1 1    6    0    0 o  509.785   6.4163  702.925   24.978  702.925   24.978  702.925   24.978  509.785   9.0740  509.785   9.0740 0.000000 0.000000 
1 1 1    6    0    1 o  452.358   5.7908  553.482   20.004  553.482   20.004  553.482   20.004  452.358   8.1895  452.358   8.1895 0.000000 0.000000 
1 1 1    6    0    2 o  1180.27   14.073  3769.78  126.850  3769.78  126.850  3769.78  126.850  1180.27   19.902  1180.27   19.902 0.000000 0.000000 
1 1 1    6    0    3 o  798.884   9.6632  1726.53   58.955  1726.53   58.955  1726.53   58.955  798.884   13.666  798.884   13.666 0.000000 0.000000 
1 1 1    6    0    4 o  1144.01   13.652  3542.02  119.273  3542.02  119.273  3542.02  119.273  1144.01   19.306  1144.01   19.306 0.000000 0.000000 
1 1 1    6    0    5 o  214.266   3.5015  124.247   5.7264  124.247   5.7264  124.247   5.7264  214.266   4.9518  214.266   4.9518 0.000000 0.000000 
1 1 1    6    0    6 o  590.674   7.3428  943.769   33.121  943.769   33.121  943.769   33.121  590.674   10.384  590.674   10.384 0.000000 0.000000 
1 1 1    6    0    7 o  1055.26   12.624  3013.34  101.740  3013.34  101.740  3013.34  101.740  1055.26   17.854  1055.26   17.854 0.000000 0.000000 
1 1 1    6    0    8 o  1663.69   19.731  7495.79  250.691  7495.79  250.691  7495.79  250.691  1663.69   27.903  1663.69   27.903 0.000000 0.000000 
1 1 1    6    0    9 o  440.232   5.6863  524.211   19.115  524.211   19.115  524.211   19.115  440.232   8.0416  440.232   8.0416 0.000000 0.000000 
1 1 1    6    0   10 o  1804.91   21.383  8824.02  294.746  8824.02  294.746  8824.02  294.746  1804.91   30.240  1804.91   30.240 0.000000 0.000000 
1 1 1    6    0   11 o  254.586   3.8790  175.370   7.5387  175.370   7.5387  175.370   7.5387  254.586   5.4857  254.586   5.4857 0.000000 0.000000 
1 1 1    6    0   12 o  107.505   3.2936   31.403   2.6943   31.403   2.6943   31.403   2.6943  107.505   4.6579  107.505   4.6579 0.000000 0.000000 
1 1 1    6    0   13 f  617.709   7.6503  1032.16   36.088  1032.16   36.088  1032.16   36.088  617.709   10.819  617.709   10.819 0.000000 0.000000 
1 1 1    6    0   14 o  1273.26   15.176  4389.12  147.574  4389.12  147.574  4389.12  147.574  1273.26   21.463  1273.26   21.463 0.000000 0.000000 
1 1 1    6    0   15 o  293.138   4.2944  232.490   9.6108  232.490   9.6108  232.490   9.6108  293.138   6.0733  293.138   6.0733 0.000000 0.000000 
1 1 1    6    0   16 o  1029.87   12.358  2871.36   97.199  2871.36   97.199  2871.36   97.199  1029.87   17.477  1029.87   17.477 0.000000 0.000000 
1 1 1    6    0   17 o  1148.67   13.749  3574.70  120.609  3574.70  120.609  3574.70  120.609  1148.67   19.444  1148.67   19.444 0.000000 0.000000 
1 1 1    6    0   18 o  184.784   3.5842   92.475   5.0527   92.475   5.0527   92.475   5.0527  184.784   5.0688  184.784   5.0688 0.000000 0.000000 
1 1 1    6    0   19 o  445.923   5.8228  538.008   19.827  538.008   19.827  538.008   19.827  445.923   8.2347  445.923   8.2347 0.000000 0.000000 
1 1 1    6    0   20 o  161.543   3.6278   70.732   4.4683   70.732   4.4683   70.732   4.4683  161.543   5.1305  161.543   5.1305 0.000000 0.000000 
1 1 1    6    0   21 o  517.142   6.5953  723.669   26.045  723.669   26.045  723.669   26.045  517.142   9.3272  517.142   9.3272 0.000000 0.000000 
1 1 1    6    0   22 o  594.378   7.4409  956.140   33.774  956.140   33.774  956.140   33.774  594.378   10.523  594.378   10.523 0.000000 0.000000 
1 1 1    6    0   23 o  106.235   4.1477   30.778   3.3438   30.778   3.3438   30.778   3.3438  106.235   5.8657  106.235   5.8657 0.000000 0.000000 
1 1 1    6    0   24 f  1142.72   13.700  3540.22  119.559  3540.22  119.559  3540.22  119.559  1142.72   19.375  1142.72   19.375 0.000000 0.000000 
1 1 1    6    0   25 o  192.247   3.9086  100.124   5.7315  100.124   5.7315  100.124   5.7315  192.247   5.5276  192.247   5.5276 0.000000 0.000000 
1 1 1    6    0   26 f  674.478   8.3506  1231.29   43.012  1231.29   43.012  1231.29   43.012  674.478   11.809  674.478   11.809 0.000000 0.000000 
1 1 1    6    0   27 o  1233.68   14.761  4125.16  139.070  4125.16  139.070  4125.16  139.070  1233.68   20.875  1233.68   20.875 0.000000 0.000000 
1 1 1    6    0   28 o  311.068   4.6945  261.853   11.148  261.853   11.148  261.853   11.148  311.068   6.6390  311.068   6.6390 0.000000 0.000000 
1 1 1    6    0   29 f  196.542   4.1665  104.666   6.2452  104.666   6.2452  104.666   6.2452  196.542   5.8923  196.542   5.8923 0.000000 0.000000 
1 1 1    6    0   30 o  1139.70   13.676  3517.76  119.034  3517.76  119.034  3517.76  119.034  1139.70   19.341  1139.70   19.341 0.000000 0.000000 
1 1 1    6    0   31 o  2186.41   25.979 12995.05  433.794 12995.05  433.794 12995.05  433.794  2186.41   36.740  2186.41   36.740 0.000000 0.000000 
1 1 1    6    0   32 o  478.646   8.9628  620.721   32.732  620.721   32.732  620.721   32.732  478.646   12.675  478.646   12.675 0.000000 0.000000 
1 1 1    6    0   33 o  813.429   9.9701  1790.88   61.934  1790.88   61.934  1790.88   61.934  813.429   14.100  813.429   14.100 0.000000 0.000000 
1 1 1    6    0   37 o  418.837   6.0593  474.768   19.376  474.768   19.376  474.768   19.376  418.837   8.5691  418.837   8.5691 0.000000 0.000000 
1 1 1    6    0   38 o  942.035   11.468  2403.80   82.503  2403.80   82.503  2403.80   82.503  942.035   16.218  942.035   16.218 0.000000 0.000000 
1 1 1    6    0   39 o  394.635   5.8369  421.522   17.585  421.522   17.585  421.522   17.585  394.635   8.2546  394.635   8.2546 0.000000 0.000000 
1 1 1    6    0   40 o  540.005   7.1313  789.288   29.405  789.288   29.405  789.288   29.405  540.005   10.085  540.005   10.085 0.000000 0.000000 
1 1 1    6    0   41 o  154.757   6.3377   65.403   7.4377   65.403   7.4377   65.403   7.4377  154.757   8.9629  154.757   8.9629 0.000000 0.000000 
1 1 1    6    0   42 o  620.890   7.9494  1043.88   37.691  1043.88   37.691  1043.88   37.691  620.890   11.242  620.890   11.242 0.000000 0.000000 
1 1 1    6    0   43 o   90.380   10.378   23.794   6.6009   23.794   6.6009   23.794   6.6009   90.380   14.677   90.380   14.677 0.000000 0.000000 
1 1 1    6    0   44 o  603.354   7.7735  986.192   35.815  986.192   35.815  986.192   35.815  603.354   10.993  603.354   10.993 0.000000 0.000000 
1 1 1    6    0   45 o  313.308   5.3912  265.935   12.891  265.935   12.891  265.935   12.891  313.308   7.6242  313.308   7.6242 0.000000 0.000000 
1 1 1    6    0   46 o  215.357   5.3145  125.904   8.7222  125.904   8.7222  125.904   8.7222  215.357   7.5159  215.357   7.5159 0.000000 0.000000 
1 1 1    6    0   47 o  162.294   6.0441   71.872   7.4486   71.872   7.4486   71.872   7.4486  162.294   8.5476  162.294   8.5476 0.000000 0.000000 
1 1 1    6    0   48 o   45.869   15.493   8.4411   6.2296   8.4411   6.2296   8.4411   6.2296   45.869   21.911   45.869   21.911 0.000000 0.000000 
1 1 1    6    0   49 o  129.832   6.7712   46.413   6.6342   46.413   6.6342   46.413   6.6342  129.832   9.5759  129.832   9.5759 0.000000 0.000000 
1 1 1    6    0   50 o  302.163   5.3013  247.618   12.224  247.618   12.224  247.618   12.224  302.163   7.4972  302.163   7.4972 0.000000 0.000000 
1 1 1    6    0   51 o  577.919   7.5411  907.669   33.279  907.669   33.279  907.669   33.279  577.919   10.665  577.919   10.665 0.000000 0.000000 
1 1 1    6    0   52 o  202.875   5.4459  111.997   8.4155  111.997   8.4155  111.997   8.4155  202.875   7.7017  202.875   7.7017 0.000000 0.000000 
1 1 1    6    0   53 o  191.135   5.5539   99.526   8.0811   99.526   8.0811   99.526   8.0811  191.135   7.8544  191.135   7.8544 0.000000 0.000000 
1 1 1    6    0   54 f  169.028   5.9534   78.115   7.6464   78.115   7.6464   78.115   7.6464  169.028   8.4193  169.028   8.4193 0.000000 0.000000 
1 1 1    6    0   55 o  101.844   8.5512   29.461   6.4079   29.461   6.4079   29.461   6.4079  101.844   12.093  101.844   12.093 0.000000 0.000000 
1 1 1    6    0   56 o  468.463   6.5370  597.742   23.382  597.742   23.382  597.742   23.382  468.463   9.2448  468.463   9.2448 0.000000 0.000000 
1 1 1    6    0   57 o   23.943   11.480  -3.0116   6.2808  -3.0116   6.2808  -3.0116   6.2808   23.943   16.236   23.943   16.236 0.000000 0.000000 
1 1 1    6    0   58 o  126.693   7.3490   44.717   7.0050   44.717   7.0050   44.717   7.0050  126.693   10.393  126.693   10.393 0.000000 0.000000 
1 1 1    6    0   59 o   75.146   13.915   18.564   6.9042   18.564   6.9042   18.564   6.9042   75.146   19.678   75.146   19.678 0.000000 0.000000 
1 1 1    6    0   60 o  154.421   6.7615   65.908   7.9089   65.908   7.9089   65.908   7.9089  154.421   9.5622  154.421   9.5622 0.000000 0.000000 
1 1 1    6    0   61 o  192.645   6.0067  101.880   8.8038  101.880   8.8038  101.880   8.8038  192.645   8.4947  192.645   8.4947 0.000000 0.000000 
1 1 1    6    0   62 o   29.733   13.385   1.1791   6.6895   1.1791   6.6895   1.1791   6.6895   29.733   18.930   29.733   18.930 0.000000 0.000000 
1 1 1    6    0   65 o   26.022   13.164 -15.9054   12.024 -15.9054   12.024 -15.9054   12.024   26.022   18.616   26.022   18.616 0.000000 0.000000 
1 1 1    6    0   67 o  283.118   6.1045  222.415   13.180  222.415   13.180  222.415   13.180  283.118   8.6331  283.118   8.6331 0.000000 0.000000 
1 1 1    6    0   68 o  197.978   6.9983  109.665   10.528  109.665   10.528  109.665   10.528  197.978   9.8971  197.978   9.8971 0.000000 0.000000 
1 1 1    6    0   69 o   40.724   16.594   7.9380   8.3041   7.9380   8.3041   7.9380   8.3041   40.724   23.467   40.724   23.467 0.000000 0.000000 
1 1 1    6    1    0 o  639.955   7.8599  1106.53   27.171  1124.83   39.056  1089.36   37.823  645.078   11.204  634.832   11.026 10.24658 15.71970 
1 1 1    6    1    1 o  932.766   11.195  2352.85   56.425  2340.09   79.363  2365.90   80.239  930.211   15.789  935.321   15.876 -5.110291 22.39030 
1 1 1    6    1    2 o  906.514   10.899  2222.35   53.387  2229.03   75.709  2215.75   75.293  907.866   15.433  905.161   15.394 2.704834 21.79738 
1 1 1    6    1    3 o  695.789   8.4908  1308.78   31.923  1314.46   45.347  1303.20   44.947  697.285   12.035  694.292   11.980 2.992371 16.98155 
1 1 1    6    1    4 o  807.115   13.826  1761.60   60.301   0.0000   0.0000  1761.60   60.301  ?   ?   807.115   13.826      ?      ? 
1 1 1    6    1    5 o  1439.73   24.216  5616.12  188.394  5616.12  188.394   0.0000   0.0000  1439.73   24.216  ?   ?       ?      ? 
1 1 1    6    1    6 o  1049.81   25.206  2986.49  142.989  2986.49  142.989   0.0000   0.0000  1049.81   25.206  ?   ?       ?      ? 
1 1 1    6    1    7 o  1724.04   23.385  8206.28  194.701  8385.77  230.150  7754.50  365.138  1759.59   24.205  1688.48   40.019 71.10193 46.77031 
1 1 1    6    1    8 o  250.744   7.7472  169.910   10.497   0.0000   0.0000  169.910   10.497  ?   ?   250.744   7.7472      ?      ? 
1 1 1    6    1    9 o  412.719   6.6453  456.940   13.817  451.020   16.693  469.820   24.623  408.529   7.5618  416.909   10.930 -8.380127 13.29055 
1 1 1    6    1   10 f  1645.18   19.515  7333.56  173.487  7342.40  245.722  7324.76  244.974  1646.17   27.624  1644.20   27.573 1.970459 39.02969 
1 1 1    6    1   11 o  694.713   8.4989  1302.69   31.867  1265.79   43.792  1344.24   46.459  684.276   11.843  705.151   12.193 -20.87518 16.99776 
1 1 1    6    1   12 o  1269.19   15.115  4358.90  103.621  4287.81  144.112  4435.00  149.101  1258.50   21.191  1279.88   21.559 -21.37305 30.23001 
1 1 1    6    1   13 o  1253.09   14.936  4251.70  101.132  4230.86  142.360  4272.93  143.695  1249.99   21.076  1256.18   21.169 -6.186890 29.87198 
1 1 1    6    1   14 o  607.979   7.5400  999.285   24.771  999.093   35.028  999.477   35.036  607.920   10.663  608.037   10.663 -0.1165771 15.08000 
1 1 1    6    1   15 o  121.390   3.3896   39.769   2.2220   38.078   3.0828   41.597   3.2055  118.709   4.8059  124.071   4.7812 -5.362770 6.779110 
1 1 1    6    1   16 o  757.813   9.2314  1553.63   37.802  1553.69   53.458  1553.58   53.463  757.826   13.054  757.800   13.056 0.2648926E-01 18.46286 
1 1 1    6    1   17 o  603.215   7.5047  984.013   24.458  995.723   34.981  972.814   34.209  606.721   10.670  599.708   10.556 7.013000 15.00937 
1 1 1    6    1   18 o  188.211   3.5944   95.704   3.6551   97.667   5.2234   93.822   5.1164  190.101   5.0849  186.321   5.0818 3.779892 7.188890 
1 1 1    6    1   19 o  501.650   6.4071  680.350   17.364  690.206   24.877  670.985   24.248  505.189   9.1128  498.111   9.0088 7.078461 12.81415 
1 1 1    6    1   20 o  570.546   7.1609  880.600   22.077  881.094   31.240  880.107   31.204  570.706   10.130  570.386   10.124 0.3193970 14.32186 
1 1 1    6    1   21 o  956.641   11.534  2481.02   59.625  2478.55   84.218  2483.51   84.427  956.165   16.300  957.118   16.324 -0.9528198 23.06862 
1 1 1    6    1   22 o  564.962   7.1141  862.709   21.702  842.184   29.996  885.255   31.438  557.927   9.9493  571.998   10.171 -14.07117 14.22812 
1 1 1    6    1   23 o  637.886   7.9201  1101.41   27.300  1099.64   38.556  1103.18   38.660  637.373   11.195  638.398   11.207 -1.024597 15.84015 
1 1 1    6    1   24 o  321.165   4.6646  278.587   8.0909  286.837   11.682  270.981   11.217  325.730   6.6369  316.601   6.5564 9.128510 9.329262 
1 1 1    6    1   25 o  545.763   6.9315  804.933   20.426  785.550   28.223  826.253   29.600  538.878   9.6923  552.647   9.9118 -13.76904 13.86307 
1 1 1    6    1   26 o  552.005   7.0071  823.579   20.888  842.521   30.189  806.181   28.932  558.082   10.011  545.927   9.8075 12.15521 14.01422 
1 1 1    6    1   27 o   91.709   5.1606   22.717   2.5523   20.784   3.5529   24.778   3.6690   87.680   7.4987   95.739   7.0921 -8.058563 10.32129 
1 1 1    6    1   28 o  598.977   7.5327  970.375   24.379  963.274   34.254  977.665   34.705  596.758   10.623  601.196   10.683 -4.437256 15.06535 
1 1 1    6    1   29 o  614.032   7.7095  1019.78   25.580  1018.51   36.149  1021.05   36.203  613.650   10.902  614.414   10.904 -0.7639160 15.41893 
1 1 1    6    1   30 o  1200.52   14.380  3906.16   93.271  3947.01  133.348  3867.02  130.509  1206.65   20.451  1194.40   20.221 12.24536 28.75999 
1 1 1    6    1   31 o  965.030   14.302  2524.86   70.346  2526.04   86.220  2522.52  121.661  965.883   16.519  964.178   23.351 1.704529 28.60357 
1 1 1    6    1   32 o  1740.87   25.501  8293.31  226.634  8321.18  278.556  8238.74  389.794  1748.41   29.484  1733.34   41.616 15.06799 51.00203 
1 1 1    6    1   33 o  738.917   12.898  1477.35   51.501   0.0000   0.0000  1477.35   51.501  ?   ?   738.917   12.898      ?      ? 
1 1 1    6    1   34 o  1973.41   33.654 10703.27  357.919 11186.94  529.839 10297.30  485.420  2013.36   48.701  1933.47   46.461 79.89063 67.30839 
1 1 1    6    1   35 f  777.193   19.126  1638.06   80.325  1638.06   80.325   0.0000   0.0000  777.193   19.126  ?   ?       ?      ? 
1 1 1    6    1   36 o  718.629   18.017  1400.68   69.964  1400.68   69.964   0.0000   0.0000  718.629   18.017  ?   ?       ?      ? 
1 1 1    6    1   37 o  409.973   8.3278  453.347   18.396  474.099   27.278  436.036   24.914  418.533   12.062  401.413   11.486 17.12009 16.65555 
1 1 1    6    1   38 o  284.785   5.2382  219.098   8.0563  209.016   11.230  229.786   11.563  278.040   7.4748  291.530   7.3403 -13.49036 10.47632 
1 1 1    6    1   39 f  1053.33   12.752  3011.12   72.585  3012.13  102.707  3010.10  102.596  1053.51   18.042  1053.16   18.028 0.3508301 25.50501 
1 1 1    6    1   40 o  330.828   5.4558  295.966   9.7531  297.581   13.833  294.368   13.753  331.726   7.7171  329.930   7.7141 1.795532 10.91154 
1 1 1    6    1   41 o  894.304   10.952  2169.47   52.908  2138.06   73.755  2202.76   75.940  887.667   15.376  900.940   15.599 -13.27344 21.90308 
1 1 1    6    1   42 o  408.465   5.9612  451.387   13.157  454.293   18.714  448.547   18.501  409.764   8.4518  407.167   8.4090 2.597229 11.92241 
1 1 1    6    1   43 o  435.642   6.1704  513.564   14.521  521.542   20.845  506.042   20.240  438.922   8.7889  432.363   8.6631 6.559723 12.34078 
1 1 1    6    1   44 o  595.907   7.6942  962.283   24.771  948.012   34.592  977.303   35.488  591.384   10.825  600.430   10.938 -9.046082 15.38849 
1 1 1    6    1   45 o  405.071   5.9238  444.262   12.965  448.487   18.524  440.205   18.152  406.954   8.4235  403.189   8.3314 3.765137 11.84767 
1 1 1    6    1   46 o  448.988   6.2795  546.277   15.233  539.181   21.352  553.634   21.740  446.022   8.8590  451.954   8.9020 -5.931488 12.55895 
1 1 1    6    1   47 o  223.474   5.3353  134.592   6.4262  146.314   9.4952  124.685   8.7291  232.404   7.5608  214.543   7.5296 17.86186 10.67055 
1 1 1    6    1   48 o  490.625   6.6690  653.569   17.680  652.418   25.062  654.709   24.946  490.187   9.4618  491.062   9.4010 -0.8752441 13.33807 
1 1 1    6    1   49 o  241.071   5.2161  157.575   6.7930  157.145   9.7151  157.986   9.5019  240.738   7.4682  241.403   7.2841 -0.6647186 10.43229 
1 1 1    6    1   50 o   93.263   9.4040   24.111   4.5448   30.172   6.6144   18.690   6.2554  105.180   11.638   81.346   14.775 23.83387 18.80801 
1 1 1    6    1   51 o  363.237   5.6309  358.415   11.052  358.785   15.696  358.050   15.565  363.416   7.9928  363.058   7.9336 0.3580322 11.26176 
1 1 1    6    1   52 o  231.648   5.2642  145.801   6.5873  142.322   9.3500  149.231   9.2820  228.883   7.5598  234.412   7.3278 -5.528564 10.52836 
1 1 1    6    1   53 o  347.490   5.5579  328.372   10.436  325.072   14.672  331.751   14.846  345.725   7.8534  349.255   7.8667 -3.529846 11.11580 
1 1 1    6    1   54 o  220.004   5.4413  131.794   6.4667  135.864   9.1627  127.754   9.1281  223.411   7.5898  216.596   7.7990 6.815384 10.88257 
1 1 1    6    1   55 o  190.499   8.2299   98.999   8.4718   98.999   8.4718   0.0000   0.0000  190.499   8.2299  ?   ?       ?      ? 
1 1 1    6    1   56 o  296.342   5.4698  239.599   8.7565  239.802   12.242  239.386   12.530  296.506   7.6407  296.179   7.8292 0.3275146 10.93963 
1 1 1    6    1   57 o  168.442   6.0855   77.741   5.5329   82.348   7.8593   73.214   7.7907  173.449   8.3854  163.435   8.8215 10.01396 12.17104 
1 1 1    6    1   58 o   47.919   12.733   5.1626   4.5040   6.7541   6.4848   3.6794   6.2603   51.234   18.401   44.604   17.603 6.630039 25.46512 
1 1 1    6    1   59 o  183.671   5.9149   92.674   5.8647   88.638   8.3342   96.633   8.2543  179.630   8.5862  187.713   8.1376 -8.083740 11.82975 
1 1 1    6    1   60 o  193.465   5.8755  102.918   6.1422  104.077   8.7181  101.776   8.6549  194.553   8.2927  192.377   8.3257 2.176285 11.75098 
1 1 1    6    1   61 o  134.834   7.2297   50.672   5.2564   47.220   7.4612   54.073   7.4065  130.116   10.612  139.552   9.8218 -9.435501 14.45949 
1 1 1    6    1   62 o   48.952   13.501   4.7793   5.5090  -1.9536   9.0460   8.7484   6.9455   42.604   19.076   55.300   19.111 -12.69609 27.00253 
1 1 1    6    1   63 o  188.318   12.326  100.811   12.543  100.811   12.543   0.0000   0.0000  188.318   12.326  ?   ?       ?      ? 
1 1 1    6    1   65 o  142.352   12.164   62.235   9.2770   57.365   13.588   66.486   12.696  135.801   18.517  148.903   15.779 -13.10249 24.32834 
1 1 1    6    1   66 o  134.824   12.860   52.436   9.3694   52.436   9.3694   0.0000   0.0000  134.824   12.860  ?   ?       ?      ? 
1 1 1    6    1   67 o  133.864   9.1511   54.150   6.5318   45.633   9.3292   62.340   9.1482  122.176   14.131  145.553   11.631 -23.37760 18.30213 
1 1 1    6    1   68 o  271.843   6.2395  208.652   9.1624  210.751   13.153  206.674   12.771  273.050   8.9144  270.637   8.7326 2.412354 12.47894 
1 1 1    6    2    0 o  1068.43   12.786  3088.23   73.817  3068.04  103.791  3108.89  105.007  1064.90   18.037  1071.96   18.128 -7.057251 25.57267 
1 1 1    6    2    1 o  933.886   15.885  2358.92   80.162  2358.92   80.162   0.0000   0.0000  933.886   15.885  ?   ?       ?      ? 
1 1 1    6    2    3 o  1312.14   15.629  4656.36  110.700  4786.77  161.017  4539.48  152.442  1329.50   22.413  1294.78   21.788 34.71448 31.25794 
1 1 1    6    2    4 o  762.702   9.2688  1570.95   38.161  1615.73   55.504  1530.81   52.552  772.987   13.288  752.417   12.925 20.56964 18.53766 
1 1 1    6    2    5 o  700.223   17.188  1326.58   65.034   0.0000   0.0000  1326.58   65.034  ?   ?   700.223   17.188      ?      ? 
1 1 1    6    2    7 o  1237.52   20.889  4150.63  139.652  4204.96  200.160  4099.10  194.938  1245.38   29.743  1229.66   29.337 15.71814 41.77724 
1 1 1    6    2    8 o  569.746   10.080  877.701   31.033  877.027   43.826  878.378   43.949  569.527   14.241  569.965   14.270 -0.4377441 20.15977 
1 1 1    6    2    9 o  918.247   13.521  2288.91   63.595  2305.72   78.473  2256.76  108.546  923.373   15.727  913.121   21.999 10.25256 27.04239 
1 1 1    6    2   10 o  941.850   13.948  2381.14   66.109  2348.49   79.779  2452.70  118.099  931.875   15.843  951.826   22.962 -19.95129 27.89695 
1 1 1    6    2   11 o  1277.77   15.222  4419.30  105.097  4448.70  149.723  4390.74  147.560  1281.95   21.614  1273.59   21.441 8.359131 30.44470 
1 1 1    6    2   12 o  449.728   5.8087  546.600   14.116  549.922   20.070  543.348   19.856  451.079   8.2340  448.376   8.1954 2.703705 11.61736 
1 1 1    6    2   13 f  925.131   11.139  2313.61   55.651  2361.98   80.412  2269.13   77.099  934.393   15.926  915.869   15.579 18.52417 22.27830 
1 1 1    6    2   14 f  621.118   7.6878  1042.98   25.803  1042.47   36.481  1043.49   36.500  620.966   10.872  621.270   10.872 -0.3044434 15.37567 
1 1 1    6    2   15 o  1107.05   13.245  3318.16   79.230  3336.17  112.694  3300.54  111.414  1110.02   18.788  1104.09   18.674 5.928345 26.49015 
1 1 1    6    2   16 o  525.016   6.6458  745.114   18.851  754.363   26.978  736.290   26.350  528.197   9.4522  521.835   9.3446 6.361206 13.29154 
1 1 1    6    2   17 o  691.788   8.5023  1294.84   31.780  1305.05   45.325  1284.96   44.572  694.466   12.078  689.110   11.970 5.355042 17.00454 
1 1 1    6    2   18 o  553.719   6.9713  827.773   20.831  857.099   30.431  801.917   28.574  562.921   10.004  544.516   9.7113 18.40521 13.94254 
1 1 1    6    2   19 o  235.351   3.9130  149.706   4.9763  148.672   7.0247  150.749   7.0503  234.535   5.5429  236.168   5.5246 -1.632751 7.825902 
1 1 1    6    2   20 o  1012.21   12.184  2776.57   66.611  2830.77   96.058  2726.35   92.449  1021.69   17.399  1002.74   17.062 18.94946 24.36883 
1 1 1    6    2   21 o  691.842   8.5178  1295.43   31.839  1309.12   45.481  1282.26   44.588  695.422   12.103  688.262   11.989 7.160278 17.03563 
1 1 1    6    2   22 o  397.738   5.3716  427.709   11.544  423.374   16.201  432.181   16.453  395.691   7.5772  399.784   7.6159 -4.092773 10.74319 
1 1 1    6    2   23 o  314.869   4.6125  267.760   7.8429  275.569   11.342  260.604   10.857  319.263   6.5742  310.476   6.4714 8.786652 9.224912 
1 1 1    6    2   24 o  769.841   9.4123  1604.80   39.149  1621.29   55.944  1588.97   54.804  773.708   13.381  765.974   13.241 7.733093 18.82467 
1 1 1    6    2   25 o  538.506   6.8564  784.460   19.951  785.123   28.248  783.800   28.183  538.733   9.7035  538.280   9.6893 0.4530029 13.71280 
1 1 1    6    2   26 o  333.192   4.8345  300.009   8.7023  304.911   12.468  295.353   12.152  335.844   6.8701  330.540   6.8037 5.303802 9.668911 
1 1 1    6    2   27 o  1018.62   12.270  2810.49   67.505  2863.65   97.355  2761.25   93.683  1027.86   17.528  1009.38   17.176 18.47931 24.54077 
1 1 1    6    2   28 o  259.875   4.3696  182.527   6.1357  179.745   8.6446  185.351   8.7102  257.879   6.2035  261.871   6.1554 -3.991272 8.739110 
1 1 1    6    2   29 o  1009.59   12.168  2760.43   66.369  2792.47   95.002  2729.88   92.756  1015.29   17.316  1003.88   17.099 11.41058 24.33587 
1 1 1    6    2   30 o  221.777   5.4015  134.165   6.0955  136.650   7.4925  129.302   10.482  224.859   6.1664  218.695   8.8703 6.164108 10.80305 
1 1 1    6    2   31 o  1755.97   25.723  8425.57  230.263  8439.16  282.470  8398.65  397.544  1761.15   29.682  1750.78   42.021 10.36890 51.44659 
1 1 1    6    2   32 f  876.716   15.087  2080.81   71.475   0.0000   0.0000  2080.81   71.475  ?   ?   876.716   15.087      ?      ? 
1 1 1    6    2   33 o  1035.34   25.034  2912.16  140.054   0.0000   0.0000  2912.16  140.054  ?   ?   1035.34   25.034      ?      ? 
1 1 1    6    2   34 o  765.150   13.325  1586.94   55.094  1589.41   77.883  1584.46   77.946  765.750   18.822  764.550   18.867 1.200378 26.65003 
1 1 1    6    2   35 o  610.576   9.5170  1004.48   29.432  995.866   35.772  1022.52   51.781  606.741   10.911  614.412   15.596 -7.670898 19.03391 
1 1 1    6    2   36 o  303.986   10.497  250.000   17.242  250.000   17.242   0.0000   0.0000  303.986   10.497  ?   ?       ?      ? 
1 1 1    6    2   37 o  607.901   11.065  1001.37   36.347  996.847   51.495  1005.86   51.309  606.526   15.712  609.275   15.585 -2.748962 22.13016 
1 1 1    6    2   38 o  400.109   7.3262  427.685   14.544  446.847   26.746  419.640   17.330  406.285   12.182  393.933   8.1413 12.35281 14.65239 
1 1 1    6    2   39 o  430.199   6.1249  500.007   14.227  513.289   20.629  487.961   19.646  435.636   8.7633  424.762   8.5593 10.87350 12.24982 
1 1 1    6    2   40 o  380.656   5.7376  391.672   11.796  398.836   16.997  385.014   16.385  384.008   8.1910  377.303   8.0367 6.705139 11.47525 
1 1 1    6    2   41 o  282.719   5.2615  216.225   8.0348  208.802   11.353  223.675   11.373  277.852   7.5614  287.587   7.3184 -9.734802 10.52303 
1 1 1    6    2   42 o  308.488   5.3531  257.337   8.9181  259.666   12.861  255.179   12.377  309.826   7.6818  307.149   7.4574 2.677704 10.70619 
1 1 1    6    2   43 o  434.910   6.1516  511.746   14.449  520.539   20.852  503.625   20.039  438.492   8.8005  431.329   8.5979 7.163391 12.30330 
1 1 1    6    2   44 o  338.648   5.4780  310.376   10.023  310.428   14.304  310.326   14.048  338.670   7.8160  338.625   7.6774 0.4501343E-01 10.95593 
1 1 1    6    2   45 o  601.309   7.7648  980.833   25.230  980.629   35.703  981.037   35.658  601.245   10.989  601.373   10.973 -0.1284180 15.52962 
1 1 1    6    2   46 o  602.268   7.7790  984.863   25.316  983.398   35.767  986.334   35.838  601.820   10.998  602.716   11.004 -0.8963013 15.55808 
1 1 1    6    2   47 o  483.413   6.5958  633.607   17.224  620.243   23.996  647.810   24.738  478.167   9.2870  488.660   9.3684 -10.49319 13.19150 
1 1 1    6    2   48 o  382.706   5.7373  397.159   11.863  399.359   16.939  395.041   16.619  383.736   8.1690  381.675   8.0580 2.060883 11.47454 
1 1 1    6    2   49 o  345.161   5.4913  322.973   10.237  328.039   14.743  318.257   14.226  347.760   7.8457  342.563   7.6853 5.197052 10.98260 
1 1 1    6    2   50 o  360.156   5.5843  351.748   10.862  359.645   15.686  344.474   15.055  364.021   7.9744  356.291   7.8198 7.729858 11.16869 
1 1 1    6    2   51 o  155.505   6.0529   66.014   5.0647   60.180   7.2524   71.567   7.0761  148.718   9.0247  162.293   8.0688 -13.57526 12.10578 
1 1 1    6    2   52 o  190.750   5.5336   98.953   5.7002   96.019   8.1173  101.807   8.0063  187.935   7.9932  193.566   7.6545 -5.630737 11.06715 
1 1 1    6    2   53 o   66.141   11.848   12.497   4.2980   16.023   6.2721   9.3750   5.9014   74.622   16.033   57.660   17.448 16.96162 23.69569 
1 1 1    6    2   54 o  250.293   5.2186  170.385   7.0549  173.233   10.164  167.737   9.8005  252.292   7.4552  248.294   7.3046 3.997940 10.43727 
1 1 1    6    2   55 o  264.725   5.3024  190.886   7.5838  186.577   10.706  195.228   10.745  261.705   7.5702  267.745   7.4265 -6.039520 10.60479 
1 1 1    6    2   56 o  253.348   5.3520  174.510   7.3148  185.594   10.721  164.857   10.005  260.838   7.6065  245.857   7.5310 14.98082 10.70397 
1 1 1    6    2   57 o  176.862   5.9545   85.588   5.6798   86.398   8.3098   84.878   7.7811  177.580   8.6599  176.144   8.1749 1.435852 11.90892 
1 1 1    6    2   58 o  196.887   5.7381  106.037   6.0930  109.017   8.9464  103.459   8.3211  199.398   8.3031  194.376   7.9223 5.022095 11.47625 
1 1 1    6    2   59 o  114.008   8.1020   36.045   4.9814   38.206   7.3327   34.193   6.7884  117.133   11.585  110.883   11.330 6.250229 16.20406 
1 1 1    6    2   60 o  101.491   9.1263   29.064   4.9900   26.403   7.0204   31.782   7.0940   96.610   13.448  106.373   12.342 -9.763351 18.25267 
1 1 1    6    2   61 o   47.178   13.821   2.9372   5.5737   5.0743   9.2536   1.7204   6.9825   51.932   21.092   42.423   17.867 9.508724 27.64238 
1 1 1    6    2   62 o   43.822   13.849  -2.0837   6.7596  -4.7545   9.5129   0.6401   9.6069   40.927   18.805   46.717   20.336 -5.789776 27.69828 
1 1 1    6    2   63 o  156.253   9.9114   70.582   8.3468   75.315   11.727   65.721   11.883  162.004   13.396  150.501   14.612 11.50345 19.82284 
1 1 1    6    2   64 o  139.363   11.815   56.543   8.7682   71.509   13.652   46.036   11.439  154.965   16.304  123.761   17.105 31.20362 23.63039 
1 1 1    6    2   65 o  237.573   9.1459  163.827   11.687  160.901   17.256  166.306   15.885  234.754   13.603  240.392   12.228 -5.638153 18.29174 
1 1 1    6    2   66 o  161.962   10.667   79.960   8.4086   70.721   15.025   84.173   10.146  151.595   18.342  172.330   10.896 -20.73521 21.33405 
1 1 1    6    2   67 o   75.976   14.406   20.956   6.1458   17.060   8.9968   24.363   8.4152   67.665   21.713   84.287   18.938 -16.62180 28.81165 
1 1 1    6    2   68 o  156.409   7.9083   70.671   6.6651   74.979   9.8888   67.086   9.0224  160.550   11.398  152.269   10.965 8.281219 15.81659 
1 1 1    6    3    0 o  636.984   7.8687  1096.63   27.079  1109.94   38.767  1083.94   37.841  640.756   11.196  633.211   11.059 7.544800 15.73740 
1 1 1    6    3    1 o  1713.73   20.336  7965.94  188.318  7999.28  267.464  7933.16  265.196  1717.27   28.823  1710.18   28.697 7.083130 40.67282 
1 1 1    6    3    2 f  581.951   7.2544  915.185   22.807  928.160   32.696  902.888   31.830  585.965   10.326  577.937   10.192 8.028564 14.50889 
1 1 1    6    3    3 o  1597.04   18.980  6914.62  163.793  6920.63  231.787  6908.62  231.490  1597.74   26.847  1596.35   26.836 1.385376 37.95948 
1 1 1    6    3    5 o  1488.88   17.697  6002.09  142.328  6101.71  204.713  5908.88  198.018  1500.80   25.243  1476.96   24.811 23.83850 35.39474 
1 1 1    6    3    6 o  870.526   14.865  2049.23   69.927   0.0000   0.0000  2049.23   69.927  ?   ?   870.526   14.865      ?      ? 
1 1 1    6    3    7 o  748.134   11.157  1517.93   42.686  1500.22   73.150  1527.07   52.564  744.705   18.178  751.564   12.943 -6.859436 22.31494 
1 1 1    6    3    8 o  224.790   4.6090  131.628   5.0867  125.288   5.9767  148.288   9.6887  215.330   5.1365  234.249   7.6542 -18.91870 9.217975 
1 1 1    6    3    9 o  1929.35   45.927 10137.39  478.808   0.0000   0.0000 10137.39  478.808  ?   ?   1929.35   45.927      ?      ? 
1 1 1    6    3   11 o  1223.18   14.583  4048.72   96.358  3992.92  134.310  4107.90  138.318  1214.52   20.465  1231.85   20.779 -17.32690 29.16525 
1 1 1    6    3   12 o  1014.43   17.210  2784.46   94.338   0.0000   0.0000  2784.46   94.338  ?   ?   1014.43   17.210      ?      ? 
1 1 1    6    3   13 f  1209.66   14.432  3962.01   94.334  3967.24  133.605  3956.82  133.214  1210.45   20.426  1208.87   20.393 1.585815 28.86349 
1 1 1    6    3   14 o  846.989   10.251  1940.40   46.916  1927.16   65.939  1953.98   66.768  844.065   14.457  849.914   14.538 -5.848633 20.50260 
1 1 1    6    3   15 o  647.312   7.9917  1132.78   27.947  1148.72   40.073  1117.69   38.995  651.738   11.379  642.886   11.225 8.852722 15.98349 
1 1 1    6    3   16 o  364.738   4.9879  359.588   9.8304  357.333   13.827  361.894   13.978  363.582   7.0380  365.894   7.0699 -2.312195 9.975860 
1 1 1    6    3   17 o  1187.66   14.212  3827.45   91.208  3815.12  128.537  3839.96  129.443  1185.74   20.061  1189.57   20.137 -3.833374 28.42442 
1 1 1    6    3   18 o  647.338   8.0174  1133.81   28.044  1129.25   39.536  1138.43   39.787  646.029   11.325  648.647   11.351 -2.617676 16.03478 
1 1 1    6    3   19 o  238.704   3.9778  153.653   5.1249  161.952   7.4672  146.262   7.0464  244.783   5.6453  232.625   5.6056 12.15826 7.955667 
1 1 1    6    3   20 o  232.125   3.9527  145.634   4.9578  146.069   7.0401  145.206   6.9831  232.469   5.6044  231.782   5.5755 0.6869049 7.905362 
1 1 1    6    3   21 o  426.646   5.6566  492.199   13.041  495.218   18.542  489.243   18.344  427.940   8.0184  425.352   7.9810 2.587860 11.31326 
1 1 1    6    3   22 o  529.578   6.7534  758.041   19.313  777.172   27.942  740.542   26.724  535.962   9.6480  523.193   9.4526 12.76862 13.50682 
1 1 1    6    3   23 o  741.352   9.0950  1487.05   36.408  1453.99   50.345  1523.30   52.715  732.741   12.715  749.962   13.008 -17.22144 18.19002 
1 1 1    6    3   24 o  298.384   4.5506  240.611   7.3361  236.296   10.266  245.112   10.487  295.652   6.4261  301.116   6.4448 -5.463928 9.101173 
1 1 1    6    3   25 o  286.766   4.4627  221.731   6.9052  232.760   10.107  212.075   9.4564  293.436   6.3740  280.096   6.2479 13.33929 8.925479 
1 1 1    6    3   26 o  466.946   6.1390  589.252   15.483  600.281   22.312  579.010   21.502  471.153   8.7638  462.738   8.5992 8.415558 12.27807 
1 1 1    6    3   27 o  795.413   9.7207  1712.25   41.771  1734.18   59.848  1691.42   58.328  800.367   13.838  790.458   13.656 9.908508 19.44134 
1 1 1    6    3   28 o  350.421   5.0565  331.597   9.5680  340.620   13.850  323.361   13.233  354.974   7.2207  345.867   7.0805 9.106812 10.11292 
1 1 1    6    3   29 o  504.333   6.5605  687.708   17.879  689.931   25.374  685.516   25.195  505.142   9.2959  503.525   9.2600 1.617340 13.12101 
1 1 1    6    3   30 o  636.776   9.7762  1102.31   31.902  1113.61   39.416  1080.86   54.318  641.681   11.367  631.871   15.908 9.810242 19.55248 
1 1 1    6    3   31 o  677.607   11.938  1242.00   43.711   0.0000   0.0000  1242.00   43.711  ?   ?   677.607   11.938      ?      ? 
1 1 1    6    3   32 o  296.159   9.4175  237.162   15.071   0.0000   0.0000  237.162   15.071  ?   ?   296.159   9.4175      ?      ? 
1 1 1    6    3   33 o  1235.02   20.983  4153.15  140.030  4150.90  197.788  4155.40  198.278  1234.69   29.645  1235.34   29.703 -0.6510010 41.96544 
1 1 1    6    3   34 o  333.002   6.1871  301.932   10.717  291.892   17.593  307.857   13.514  328.535   9.9099  337.469   7.4105 -8.933289 12.37422 
1 1 1    6    3   35 o  1073.16   15.910  3109.62   86.257  3182.43  152.637  3075.45  104.553  1081.32   26.123  1065.01   18.168 16.31470 31.81907 
1 1 1    6    3   37 o  127.524   10.205   44.074   7.0280   42.950   10.029   45.158   9.8517  125.920   14.739  129.129   14.119 -3.208679 20.41025 
1 1 1    6    3   38 f  637.667   11.567  1102.48   39.857  1090.77   56.098  1114.41   56.637  634.247   16.368  641.088   16.349 -6.841370 23.13471 
1 1 1    6    3   39 o  555.142   7.2641  833.866   21.790  833.332   30.903  834.394   30.730  554.963   10.305  555.321   10.241 -0.3583984 14.52815 
1 1 1    6    3   40 o  333.879   5.4546  301.487   9.8404  297.102   13.897  305.897   13.936  331.441   7.7594  336.316   7.6683 -4.874146 10.90922 
1 1 1    6    3   41 f  230.618   5.3846  143.302   6.6969  152.991   9.8535  134.984   9.1296  237.834   7.6670  223.403   7.5627 14.43077 10.76929 
1 1 1    6    3   42 o   49.269   12.860   5.0693   4.5152   6.1996   6.7199   4.1390   6.0963   52.082   18.729   46.456   17.628 5.625870 25.71982 
1 1 1    6    3   43 o   72.909   11.807   14.997   4.5467   15.951   6.6405   14.155   6.2383   75.097   16.786   70.721   16.608 4.376297 23.61316 
1 1 1    6    3   44 o  541.718   7.1543  795.218   20.942  795.512   29.715  794.927   29.519  541.813   10.149  541.624   10.086 0.1890259 14.30863 
1 1 1    6    3   45 o  271.205   5.2501  199.140   7.6898  190.812   10.839  207.578   10.911  265.486   7.5555  276.924   7.2916 -11.43735 10.50015 
1 1 1    6    3   46 o  272.223   5.2806  200.535   7.7642  205.558   11.191  195.874   10.781  275.503   7.5174  268.943   7.4182 6.559265 10.56128 
1 1 1    6    3   47 o  132.413   7.0081   47.521   5.0072   51.268   7.2253   44.058   6.9454  137.439   9.7287  127.388   10.090 10.05117 14.01615 
1 1 1    6    3   48 o  351.555   5.5554  334.858   10.547  342.768   15.248  327.602   14.603  355.519   7.9373  347.591   7.7748 7.927979 11.11071 
1 1 1    6    3   49 o  348.179   5.5088  328.710   10.363  320.685   14.518  337.045   14.795  343.844   7.8139  352.514   7.7672 -8.669800 11.01756 
1 1 1    6    3   50 o  273.843   5.2152  203.285   7.7143  208.556   11.096  198.353   10.732  277.272   7.4060  270.414   7.3446 6.858276 10.43039 
1 1 1    6    3   51 o  324.109   5.4120  284.067   9.4534  302.294   14.005  268.814   12.812  333.592   7.7695  314.627   7.5361 18.96530 10.82396 
1 1 1    6    3   52 o   27.680   9.4112  -8.9655   4.1263  -6.0517   6.0010 -11.5787   5.6829   30.554   14.339   24.807   12.193 5.746376 18.82240 
1 1 1    6    3   53 o   60.869   12.140   10.325   4.3359   14.779   6.2917   6.2963   5.9837   71.495   16.604   50.243   17.715 21.25217 24.27954 
1 1 1    6    3   54 o   52.593   12.473   7.1764   4.2880   9.8597   6.1065   4.5661   6.0228   58.803   17.739   46.383   17.540 12.42025 24.94641 
1 1 1    6    3   55 o   94.922   13.000   24.946   6.6681   24.946   6.6681   0.0000   0.0000   94.922   13.000  ?   ?       ?      ? 
1 1 1    6    3   56 o   45.137   12.386   3.7925   4.3317   5.4331   6.4358   2.4339   5.8570   48.714   18.192   41.561   16.815 7.153263 24.77242 
1 1 1    6    3   57 o  121.495   7.5262   40.860   4.9251   37.950   7.0602   43.618   6.8739  117.143   11.153  125.847   10.108 -8.703644 15.05237 
1 1 1    6    3   58 o  195.966   5.6678  105.063   5.9956  108.457   8.7227  102.023   8.2548  198.928   8.1146  193.004   7.9150 5.924026 11.33552 
1 1 1    6    3   59 o  150.482   6.5243   62.298   5.2982   64.121   7.7335   60.685   7.2733  152.503   9.3845  148.460   9.0664 4.043228 13.04867 
1 1 1    6    3   60 o  111.813   8.4567   34.830   5.0891   39.441   7.5109   30.917   6.9196  118.695   11.710  104.932   12.204 13.76276 16.91337 
1 1 1    6    3   61 o   63.469   14.860   11.034   6.5495   19.333   9.3467   3.0270   9.1802   78.041   21.484   48.897   20.535 29.14392 29.71980 
1 1 1    6    3   62 o  166.140   9.0173   77.317   8.0401   66.419   10.786   90.946   12.062  152.931   13.052  179.350   12.446 -26.41873 18.03467 
1 1 1    6    3   63 o  188.435   6.3176   98.616   6.4321  100.520   9.1174   96.730   9.0755  190.284   8.8670  186.586   9.0012 3.697769 12.63513 
1 1 1    6    3   64 o  135.514   9.6932   52.081   6.8245   48.824   8.4538   58.176   11.563  130.711   11.969  140.316   15.250 -9.604980 19.38633 
1 1 1    6    3   65 o   70.293   16.029   15.819   8.1068   2.6081   11.927   27.162   11.052   51.375   22.503   89.212   22.831 -37.83699 32.05727 
1 1 1    6    3   66 o   84.672   17.671   24.890   8.6330   31.194   13.268   20.261   11.369   93.323   25.559   76.021   24.410 17.30271 35.34239 
1 1 1    6    3   67 o  158.806   7.7255   73.376   6.6132   80.778   9.6622   66.853   9.0707  166.515   10.738  151.098   11.110 15.41696 15.45096 
1 1 1    6    3   68 o   69.461   14.258   17.091   5.9820   11.094   8.5922   22.732   8.3333   57.197   21.086   81.725   19.197 -24.52787 28.51554 
1 1 1    6    4    0 o  698.514   8.5903  1319.14   32.424  1315.41   45.785  1322.90   45.925  697.523   12.147  699.505   12.150 -1.982361 17.18064 
1 1 1    6    4    3 o  482.601   6.2066  629.371   16.184  635.208   23.095  623.739   22.685  484.799   8.8161  480.404   8.7386 4.394897 12.41318 
1 1 1    6    4    4 o  526.988   6.6880  750.420   19.042  759.520   27.245  741.731   26.624  530.109   9.5111  523.866   9.4051 6.242981 13.37593 
1 1 1    6    4    5 o  706.543   8.6735  1349.04   33.106  1368.84   47.496  1330.32   46.169  711.582   12.352  701.503   12.180 10.07892 17.34697 
1 1 1    6    4    6 o  1516.93   25.479  6231.90  208.852   0.0000   0.0000  6231.90  208.852  ?   ?   1516.93   25.479      ?      ? 
1 1 1    6    4    7 o  933.277   13.761  2362.67   65.646  2337.84  112.625  2375.44   80.789  929.340   22.427  937.214   15.952 -7.874329 27.52192 
1 1 1    6    4    9 o  1427.12   16.977  5513.81  130.882  5440.02  182.518  5591.92  187.785  1417.32   23.831  1436.92   24.185 -19.60217 33.95335 
1 1 1    6    4   12 o  1549.08   18.414  6505.68  154.132  6465.60  216.541  6546.84  219.439  1544.27   25.950  1553.90   26.134 -9.634155 36.82866 
1 1 1    6    4   13 o  404.591   5.3905  441.629   11.772  426.400   16.188  458.723   17.150  397.202   7.5420  411.979   7.7037 -14.77701 10.78096 
1 1 1    6    4   14 o  856.533   10.385  1984.66   48.059  1962.45   67.230  2007.87   68.726  851.640   14.609  861.427   14.764 -9.786377 20.77040 
1 1 1    6    4   15 o  738.312   9.0307  1474.98   36.029  1478.38   51.059  1471.61   50.846  739.158   12.783  737.467   12.759 1.691650 18.06147 
1 1 1    6    4   16 o  698.486   8.5859  1320.14   32.405  1328.68   46.139  1311.83   45.521  700.711   12.186  696.261   12.099 4.450623 17.17186 
1 1 1    6    4   17 o  290.203   4.3422  227.615   6.8087  229.508   9.6977  225.775   9.5618  291.393   6.1589  289.014   6.1225 2.378998 8.684317 
1 1 1    6    4   18 o  365.240   5.0542  360.457   9.9712  366.890   14.346  354.445   13.869  368.389   7.2065  362.091   7.0884 6.298157 10.10832 
1 1 1    6    4   19 o  412.855   5.5217  460.797   12.317  455.606   17.275  466.165   17.568  410.491   7.7878  415.219   7.8299 -4.727478 11.04344 
1 1 1    6    4   20 o  1042.39   12.540  2947.63   70.634  2937.28   99.548  2958.11  100.238  1040.55   17.704  1044.22   17.764 -3.668457 25.08038 
1 1 1    6    4   21 o  845.324   10.283  1936.29   46.968  1945.95   66.822  1926.85   66.031  847.400   14.593  843.247   14.491 4.153320 20.56569 
1 1 1    6    4   22 o  181.471   3.8345   88.982   3.7594   86.833   5.2617   91.223   5.3732  179.233   5.4328  183.708   5.4127 -4.475143 7.668964 
1 1 1    6    4   23 o  208.103   5.5925  117.058   6.2888   0.0000   0.0000  117.058   6.2888  ?   ?   208.103   5.5925      ?      ? 
1 1 1    6    4   24 o  604.602   7.5911  988.175   24.783  964.869   34.282  1013.69   35.869  597.151   10.624  612.053   10.845 -14.90198 15.18219 
1 1 1    6    4   25 o  1393.89   16.671  5284.36  125.555  5248.13  176.324  5321.62  178.827  1389.07   23.491  1398.70   23.660 -9.624146 33.34108 
1 1 1    6    4   26 o  899.555   10.919  2191.56   53.069  2170.78   74.406  2213.08   75.712  895.224   15.381  903.885   15.501 -8.661316 21.83725 
1 1 1    6    4   27 o  759.305   9.3211  1559.75   38.230  1585.67   54.978  1535.49   53.198  765.398   13.293  753.213   13.070 12.18573 18.64211 
1 1 1    6    4   28 o  706.552   8.7427  1350.51   33.376  1361.77   47.635  1339.66   46.777  709.440   12.426  703.665   12.302 5.775208 17.48547 
1 1 1    6    4   29 o  715.677   10.855  1391.20   39.746  1401.25   48.986  1371.85   67.996  719.695   12.596  711.659   17.682 8.035339 21.70960 
1 1 1    6    4   30 o  863.896   14.840  2022.78   69.259  2049.10   99.192  1997.75   96.748  869.360   21.115  858.433   20.857 10.92621 29.67906 
1 1 1    6    4   31 o  588.962   14.865  938.964   47.309   0.0000   0.0000  938.964   47.309  ?   ?   588.962   14.865      ?      ? 
1 1 1    6    4   32 o  725.446   12.645  1425.76   49.564  1416.44   69.568  1435.36   70.633  723.048   17.805  727.843   17.959 -4.795227 25.28941 
1 1 1    6    4   33 o  109.102   6.2306   32.184   3.6676   34.589   5.2337   29.863   5.1411  113.109   8.5630  105.094   9.0530 8.015366 12.46118 
1 1 1    6    4   34 o  898.141   10.938  2183.04   53.054  2227.27   76.605  2142.26   73.549  906.856   15.633  889.426   15.303 17.43048 21.87607 
1 1 1    6    4   35 o  676.639   10.347  1236.28   35.612  1251.13   62.046  1228.99   43.489  679.383   16.901  673.895   11.943 5.488159 20.69460 
1 1 1    6    4   36 o  631.192   9.8853  1078.87   31.740  1078.66   38.818  1079.28   55.132  631.354   11.378  631.030   16.168 0.3238525 19.77070 
1 1 1    6    4   37 o  835.414   20.730  1895.49   93.581  1895.49   93.581   0.0000   0.0000  835.414   20.730  ?   ?       ?      ? 
1 1 1    6    4   38 o  723.791   12.918  1420.51   50.480  1453.60   73.230  1390.54   69.681  731.770   18.519  715.811   18.015 15.95947 25.83593 
1 1 1    6    4   39 o  1263.38   15.194  4339.56  103.711  4385.15  148.322  4295.95  145.071  1269.82   21.616  1256.94   21.359 12.88379 30.38847 
1 1 1    6    4   40 o  1160.93   14.020  3666.61   87.953  3663.20  124.328  3670.03  124.441  1160.39   19.828  1161.47   19.827 -1.082397 28.04064 
1 1 1    6    4   41 o  712.443   8.9352  1375.36   34.397  1379.93   48.900  1370.88   48.395  713.607   12.681  711.278   12.591 2.329102 17.87050 
1 1 1    6    4   42 o  706.415   8.8818  1352.75   33.892  1372.60   48.705  1334.12   47.191  711.413   12.670  701.416   12.451 9.997131 17.76350 
1 1 1    6    4   43 o  320.774   5.3866  278.478   9.3357  275.008   13.253  281.894   13.153  318.786   7.6936  322.762   7.5413 -3.976288 10.77329 
1 1 1    6    4   44 o  254.563   5.2047  175.055   7.1474  180.517   10.474  170.296   9.7777  258.264   7.5052  250.862   7.2129 7.401566 10.40935 
1 1 1    6    4   45 o  284.500   5.2301  219.214   8.0372  214.755   11.449  223.546   11.285  281.637   7.5231  287.363   7.2677 -5.726013 10.46020 
1 1 1    6    4   46 o  263.341   5.1935  187.874   7.3870  185.033   10.558  190.598   10.339  261.380   7.4753  265.303   7.2118 -3.923096 10.38700 
1 1 1    6    4   47 o   47.215   12.461   4.5847   4.2589   5.5369   6.3409   3.8022   5.7486   49.705   18.146   44.726   17.083 4.979546 24.92168 
1 1 1    6    4   48 o  265.983   5.2331  191.528   7.5151  181.238   10.427  202.651   10.841  258.552   7.4633  273.415   7.3376 -14.86325 10.46618 
1 1 1    6    4   49 o  392.741   5.8282  418.450   12.367  409.502   17.315  427.768   17.669  388.455   8.2487  397.027   8.2359 -8.571716 11.65634 
1 1 1    6    4   50 o  321.147   5.4671  279.738   9.4796  284.733   13.735  275.196   13.100  323.859   7.8487  318.435   7.6129 5.424835 10.93426 
1 1 1    6    4   51 o  149.117   6.3598   60.471   5.1201   61.788   7.4271   59.277   7.0682  150.648   9.1236  147.587   8.8628 3.060760 12.71966 
1 1 1    6    4   52 o  165.080   5.9637   74.146   5.3141   74.378   7.7019   73.935   7.3415  165.300   8.6226  164.860   8.2410 0.4400482 11.92744 
1 1 1    6    4   53 o  154.935   6.1836   65.854   5.1368   57.117   7.3240   74.313   7.2064  144.654   9.3698  165.216   8.0720 -20.56216 12.36727 
1 1 1    6    4   54 o  104.494   8.1598   30.263   4.5678   26.296   6.5504   34.017   6.3730   97.632   12.416  111.357   10.591 -13.72511 16.31955 
1 1 1    6    4   55 o  202.834   5.5085  111.972   6.0320  118.397   8.7333  106.110   8.3413  208.397   7.7553  197.271   7.8250 11.12613 11.01704 
1 1 1    6    4   56 o   74.718   11.412   16.178   4.4767   19.560   6.6153   13.321   6.0806   82.159   15.468   67.277   16.782 14.88199 22.82320 
1 1 1    6    4   57 o  230.526   5.4145  144.973   6.7383  150.691   9.7957  139.837   9.2837  234.812   7.7201  226.240   7.5939 8.572556 10.82904 
1 1 1    6    4   58 o   64.975   12.657   12.613   4.5772   12.567   6.7479   12.653   6.2295   64.824   18.405   65.125   17.379 -0.3009262 25.31338 
1 1 1    6    4   59 o  136.668   6.9725   51.300   5.1313   57.346   7.5958   46.224   6.9595  144.060   9.7576  129.277   9.9625 14.78305 13.94494 
1 1 1    6    4   60 o   72.847   14.270   15.260   6.5841   4.7072   9.0158   27.320   9.6380   51.228   20.814   94.467   19.526 -43.23946 28.53902 
1 1 1    6    4   61 o   77.652   14.633   19.013   6.5229   25.856   9.2432   12.225   9.2065   91.542   19.294   63.763   22.005 27.77867 29.26555 
1 1 1    6    4   62 o   97.978   10.140   27.573   5.3578   29.792   7.6434   25.430   7.5126  102.044   13.861   93.911   14.804 8.133270 20.28058 
1 1 1    6    4   63 o  100.213   9.7534   29.011   5.2666   27.011   7.5161   30.940   7.3819   96.526   14.410  103.900   13.148 -7.374657 19.50684 
1 1 1    6    4   64 o   62.174   13.877   12.437   5.2408   11.094   7.5884   13.662   7.2465   59.286   19.987   65.062   19.256 -5.775677 27.75369 
1 1 1    6    4   65 o  171.235   10.508   86.010   9.5895   89.932   14.947   83.266   12.502  173.431   15.949  169.039   13.687 4.391586 21.01623 
1 1 1    6    4   66 o  232.312   9.2206  154.233   11.381  172.703   18.155  142.275   14.608  242.489   13.855  222.135   12.170 20.35416 18.44126 
1 1 1    6    4   67 o   57.828   14.696   11.205   5.8759   15.275   8.9680   8.1425   7.7781   64.436   21.728   51.221   19.792 13.21529 29.39101 
1 1 1    6    4   68 o  224.348   6.4181  143.341   7.7602  144.467   11.406  142.370   10.589  224.759   9.3910  223.938   8.7507 0.8214417 12.83613 
1 1 1    6    5    0 o  1254.94   14.975  4262.11  101.551  4252.48  143.423  4271.79  143.809  1253.52   21.174  1256.36   21.183 -2.841919 29.95072 
1 1 1    6    5    1 o  948.037   11.426  2428.35   58.487  2374.59   80.824  2487.44   84.741  937.044   15.962  959.030   16.352 -21.98572 22.85135 
1 1 1    6    5    2 o  824.405   10.014  1837.58   44.611  1829.97   62.826  1845.32   63.356  822.685   14.132  826.125   14.192 -3.440186 20.02856 
1 1 1    6    5    4 o  915.590   15.627  2266.99   77.316   0.0000   0.0000  2266.99   77.316  ?   ?   915.590   15.627      ?      ? 
1 1 1    6    5    5 o  920.270   15.723  2290.28   78.189   0.0000   0.0000  2290.28   78.189  ?   ?   920.270   15.723      ?      ? 
1 1 1    6    5    6 o  1106.99   18.732  3315.35  112.054   0.0000   0.0000  3315.35  112.054  ?   ?   1106.99   18.732      ?      ? 
1 1 1    6    5    7 o  1319.49   22.221  4713.35  158.436   0.0000   0.0000  4713.35  158.436  ?   ?   1319.49   22.221      ?      ? 
1 1 1    6    5    9 o  441.260   5.8109  525.911   13.848  536.084   19.976  516.496   19.215  445.365   8.3003  437.156   8.1344 8.209442 11.62172 
1 1 1    6    5   10 o  955.410   11.501  2469.42   59.376  2454.98   83.504  2484.19   84.445  952.588   16.222  958.232   16.309 -5.643677 23.00293 
1 1 1    6    5   12 o  524.202   6.6687  742.717   18.888  748.100   26.944  737.516   26.484  526.068   9.4785  522.336   9.3832 3.731750 13.33739 
1 1 1    6    5   13 o  346.877   4.8683  325.144   9.1233  327.957   13.054  322.459   12.756  348.342   6.9350  345.412   6.8341 2.930206 9.736519 
1 1 1    6    5   14 o  998.188   16.983  2699.23   91.606   0.0000   0.0000  2699.23   91.606  ?   ?   998.188   16.983      ?      ? 
1 1 1    6    5   15 o  172.944   3.6709   80.888   3.4278   77.476   4.8614   84.262   4.8340  169.313   5.3136  176.574   5.0663 -7.261093 7.341736 
1 1 1    6    5   16 o  497.508   6.3965  669.067   17.191  679.884   24.689  658.887   23.950  501.406   9.1124  493.610   8.9792 7.796814 12.79302 
1 1 1    6    5   17 o  546.271   6.9305  806.435   20.445  787.787   28.313  826.756   29.555  539.683   9.7085  552.859   9.8932 -13.17548 13.86108 
1 1 1    6    5   18 o  850.658   10.329  1960.13   47.477  1952.19   66.907  1968.18   67.379  848.925   14.585  852.390   14.629 -3.464294 20.65735 
1 1 1    6    5   19 o  671.361   8.3061  1219.34   30.122  1198.88   41.929  1241.16   43.303  665.553   11.659  677.169   11.834 -11.61603 16.61223 
1 1 1    6    5   20 o  583.971   7.3737  922.678   23.267  914.892   32.703  930.661   33.111  581.478   10.408  586.465   10.448 -4.986450 14.74750 
1 1 1    6    5   21 f  830.542   10.116  1868.47   45.384  1838.98   63.148  1899.97   65.271  823.789   14.186  837.295   14.426 -13.50586 20.23248 
1 1 1    6    5   22 o  391.478   5.3684  414.372   11.356  411.309   15.965  417.508   16.156  390.015   7.5753  392.941   7.6089 -2.926605 10.73687 
1 1 1    6    5   23 o  620.071   7.7660  1040.28   26.018  1028.54   36.447  1052.48   37.154  616.508   10.940  623.634   11.025 -7.125549 15.53209 
1 1 1    6    5   24 o  580.155   7.3351  910.550   22.993  916.497   32.751  904.770   32.289  582.020   10.414  578.290   10.333 3.729614 14.67012 
1 1 1    6    5   25 o  901.159   10.932  2199.79   53.229  2186.11   74.823  2213.81   75.741  898.330   15.414  903.990   15.505 -5.660034 21.86323 
1 1 1    6    5   26 o  695.824   8.6198  1310.16   32.410  1307.86   45.786  1312.46   45.885  695.214   12.188  696.435   12.193 -1.220581 17.23956 
1 1 1    6    5   27 o  504.952   6.5779  689.264   17.944  698.855   25.721  680.169   25.045  508.371   9.3632  501.534   9.2414 6.836914 13.15574 
1 1 1    6    5   28 o  818.239   14.163  1815.03   62.619  1832.88   88.990  1797.52   88.128  822.224   20.029  814.254   20.029 7.969910 28.32567 
1 1 1    6    5   29 o  1001.40   17.085  2712.54   92.194  2605.86  124.934  2840.09  136.610  979.956   23.593  1022.84   24.717 -42.88019 34.16938 
1 1 1    6    5   30 o  973.078   23.516  2569.82  123.651   0.0000   0.0000  2569.82  123.651  ?   ?   973.078   23.516      ?      ? 
1 1 1    6    5   31 o  490.784   7.8745  650.153   19.769  647.362   24.288  655.630   34.029  489.311   9.1857  492.256   12.793 -2.945251 15.74906 
1 1 1    6    5   32 o  625.757   7.9029  1058.97   26.720  1048.68   37.471  1069.62   38.114  622.665   11.136  628.848   11.216 -6.182800 15.80587 
1 1 1    6    5   33 o  825.863   10.118  1846.25   45.153  1847.55   63.909  1844.95   63.802  826.153   14.316  825.573   14.302 0.5804443 20.23569 
1 1 1    6    5   34 o  700.668   8.7383  1328.39   33.082  1317.48   46.426  1339.64   47.152  697.751   12.313  703.585   12.402 -5.833923 17.47654 
1 1 1    6    5   35 o  1251.01   15.035  4251.25  101.635  4270.09  144.505  4232.81  142.975  1253.73   21.330  1248.29   21.196 5.441772 30.07063 
1 1 1    6    5   36 o  1034.72   17.772  2914.33   99.362  2907.66  139.688  2921.17  141.364  1033.56   25.011  1035.88   25.255 -2.324341 35.54382 
1 1 1    6    5   37 o  751.706   18.955  1533.78   76.993  1533.78   76.993   0.0000   0.0000  751.706   18.955  ?   ?       ?      ? 
1 1 1    6    5   38 o  768.277   19.333  1602.93   80.263  1602.93   80.263   0.0000   0.0000  768.277   19.333  ?   ?       ?      ? 
1 1 1    6    5   39 o  242.134   5.2985  158.623   6.9290  154.171   9.8583  162.971   9.7410  238.770   7.6407  245.498   7.3429 -6.728256 10.59708 
1 1 1    6    5   40 o   92.907   9.2237   23.347   4.6239   24.222   6.7643   22.580   6.3352   94.533   13.242   91.281   12.844 3.252480 18.44750 
1 1 1    6    5   41 o  624.362   8.0009  1055.87   26.993  1050.12   38.076  1061.69   38.274  622.651   11.317  626.073   11.313 -3.422668 16.00177 
1 1 1    6    5   42 o  326.264   5.4571  288.057   9.6203  284.890   13.623  291.209   13.588  324.471   7.7697  328.057   7.6649 -3.585693 10.91416 
1 1 1    6    5   43 o  350.332   5.5192  332.223   10.446  327.429   14.840  336.931   14.707  347.820   7.8959  352.845   7.7138 -5.024597 11.03847 
1 1 1    6    5   44 o  278.950   5.2957  210.551   7.9792  212.721   11.472  208.517   11.105  280.336   7.5733  277.563   7.4041 2.773163 10.59131 
1 1 1    6    5   45 o   79.869   10.402   17.578   4.3799   20.526   6.4411   15.042   5.9735   86.840   13.726   72.898   15.634 13.94293 20.80430 
1 1 1    6    5   46 o  242.536   5.3075  159.372   6.9534  157.861   9.9426  160.818   9.7280  241.401   7.6221  243.671   7.3881 -2.269470 10.61506 
1 1 1    6    5   47 o  294.536   5.2789  235.071   8.4012  231.511   11.832  238.690   11.931  292.285   7.4914  296.787   7.4395 -4.502808 10.55776 
1 1 1    6    5   48 o  226.000   5.2111  137.536   6.3422  151.766   9.4336  125.799   8.5673  236.594   7.3788  215.406   7.3603 21.18732 10.42216 
1 1 1    6    5   49 o  244.169   5.3157  161.557   7.0040  164.211   10.209  159.197   9.6269  246.042   7.6788  242.296   7.3527 3.745255 10.63140 
1 1 1    6    5   50 o  253.269   5.3171  174.176   7.2743  170.964   10.360  177.299   10.217  250.947   7.6398  255.592   7.3973 -4.645050 10.63421 
1 1 1    6    5   51 o   38.858   10.908  -2.4480   4.1356   7.0564   6.1240 -10.4161   5.6072   52.346   17.953   25.369   12.394 26.97641 21.81612 
1 1 1    6    5   52 o  176.025   5.7197   84.249   5.4350   85.038   7.8807   83.533   7.5055  176.787   8.2495  175.262   7.9251 1.524414 11.43946 
1 1 1    6    5   53 o  233.661   5.2568  148.531   6.6351  148.505   9.5080  148.555   9.2636  233.620   7.5317  233.702   7.3355 -0.8154297E-01 10.51358 
1 1 1    6    5   54 o  112.983   7.6628   35.166   4.6626   33.022   6.7287   37.147   6.4671  109.568   11.365  116.398   10.282 -6.830116 15.32554 
1 1 1    6    5   55 o  126.957   6.9621   44.144   4.7705   45.424   6.9536   43.006   6.5568  128.663   10.002  125.251   9.6877 3.411263 13.92427 
1 1 1    6    5   56 o  257.854   5.3448  181.118   7.4348  188.301   10.903  174.874   10.165  262.578   7.6839  253.130   7.4314 9.447250 10.68962 
1 1 1    6    5   57 o   46.640   12.568   4.7189   4.4094   3.7002   6.4835   5.5957   6.0146   45.211   17.892   48.070   17.654 -2.858955 25.13515 
1 1 1    6    5   58 o  128.926   7.2923   46.022   5.0636   45.364   7.4365   46.590   6.9141  127.936   10.757  129.917   9.8487 -1.981987 14.58454 
1 1 1    6    5   59 o  152.678   8.8594   65.381   7.3062   63.086   10.183   67.815   10.488  149.899   12.572  155.456   12.486 -5.557785 17.71871 
1 1 1    6    5   60 o  172.910   8.4171   83.662   7.8490   91.149   11.450   77.027   10.780  180.263   11.755  165.557   12.050 14.70605 16.83413 
1 1 1    6    5   61 o  132.234   7.8855   49.448   5.5343   38.954   7.7963   60.106   7.8575  117.452   12.284  147.017   9.8907 -29.56461 15.77092 
1 1 1    6    5   62 o   77.131   12.507   18.259   5.1210   21.172   7.3503   15.512   7.1388   83.585   16.856   70.677   18.483 12.90863 25.01429 
1 1 1    6    5   63 o  118.771   8.5050   39.967   5.4515   42.132   7.9564   38.051   7.4844  121.765   12.092  115.777   11.963 5.987381 17.00994 
1 1 1    6    5   64 o  129.039   8.3621   48.264   5.7597   41.517   8.3332   54.435   7.9699  119.600   12.894  138.477   10.651 -18.87658 16.72425 
1 1 1    6    5   65 o   61.261   16.925   10.857   8.2756   6.6667   12.688   13.959   10.918   56.954   24.041   65.569   23.830 -8.615433 33.85037 
1 1 1    6    5   66 o  243.528   9.2051  173.578   11.990  179.437   18.402  169.257   15.805  245.778   13.856  241.278   12.122 4.500793 18.41014 
1 1 1    6    5   67 o  205.338   8.6580  122.055   8.6726  128.784   16.263  119.381   10.252  205.624   14.637  205.051   9.2524 0.5735931 17.31598 
1 1 1    6    5   68 o  108.833   10.395   36.514   6.0725   42.688   9.0868   31.532   8.1630  117.426   14.321  100.241   15.070 17.18582 20.78915 
1 1 1    6    6    0 o  1160.32   13.881  3642.53   87.027  3616.15  122.169  3669.71  124.001  1156.06   19.556  1164.58   19.705 -8.515869 27.76200 
1 1 1    6    6    2 o  776.892   9.4897  1631.75   39.837  1622.05   56.030  1641.67   56.650  774.559   13.387  779.225   13.454 -4.666687 18.97942 
1 1 1    6    6    6 o  1055.98   12.670  3015.02   72.297   0.0000   0.0000  3015.02   72.297  ?   ?   1055.98   12.670      ?      ? 
1 1 1    6    6    7 o  617.987   10.888  1032.44   36.361   0.0000   0.0000  1032.44   36.361  ?   ?   617.987   10.888      ?      ? 
1 1 1    6    6    8 o  816.308   9.9371  1802.14   43.832  1794.50   61.745  1809.90   62.234  814.565   14.028  818.051   14.079 -3.485718 19.87420 
1 1 1    6    6    9 o  1504.09   25.380  6132.66  206.279  6132.66  206.279   0.0000   0.0000  1504.09   25.380  ?   ?       ?      ? 
1 1 1    6    6   10 o  736.049   12.781  1465.05   50.835   0.0000   0.0000  1465.05   50.835  ?   ?   736.049   12.781      ?      ? 
1 1 1    6    6   11 o  1945.65   32.716 10294.88  343.961   0.0000   0.0000 10294.88  343.961  ?   ?   1945.65   32.716      ?      ? 
1 1 1    6    6   13 o  590.192   7.4207  942.136   23.666  943.234   33.574  941.052   33.364  590.532   10.521  589.852   10.468 0.6799316 14.84138 
1 1 1    6    6   14 o  1078.29   18.331  3152.74  106.812   0.0000   0.0000  3152.74  106.812  ?   ?   1078.29   18.331      ?      ? 
1 1 1    6    6   16 o  635.108   7.9137  1091.28   27.157  1081.48   38.123  1101.37   38.695  632.216   11.159  637.999   11.224 -5.782471 15.82741 
1 1 1    6    6   17 o  427.469   5.7098  493.774   13.182  503.813   19.011  484.477   18.295  431.648   8.1506  423.290   7.9985 8.357635 11.41968 
1 1 1    6    6   18 o  1178.14   14.135  3767.65   89.955  3709.46  125.208  3829.72  129.323  1168.80   19.825  1187.49   20.154 -18.69446 28.27003 
1 1 1    6    6   19 o  860.565   10.474  2006.81   48.703  2015.22   69.240  1998.58   68.517  862.341   14.859  858.790   14.765 3.550964 20.94725 
1 1 1    6    6   20 o  232.724   4.1347  146.368   5.1976  147.720   7.4686  145.099   7.2380  233.765   5.9125  231.684   5.7814 2.080414 8.269377 
1 1 1    6    6   21 o  350.821   7.1329  332.770   13.522   0.0000   0.0000  332.770   13.522  ?   ?   350.821   7.1329      ?      ? 
1 1 1    6    6   22 o  406.886   5.5422  447.331   12.180  436.424   16.923  459.055   17.545  401.745   7.7952  412.026   7.8803 -10.28110 11.08440 
1 1 1    6    6   23 o  102.084   4.7580   28.181   2.6226   27.955   3.7757   28.391   3.6456  101.688   6.8713  102.480   6.5832 -0.7913666 9.515959 
1 1 1    6    6   24 o  643.328   8.0330  1119.14   27.912  1097.14   38.767  1142.82   40.222  636.775   11.266  649.881   11.453 -13.10596 16.06591 
1 1 1    6    6   25 o  851.188   10.370  1961.91   47.698  1966.44   67.673  1957.43   67.240  852.162   14.696  850.215   14.636 1.947327 20.74085 
1 1 1    6    6   26 o  394.935   6.6534  413.413   13.243  444.820   23.827  399.373   15.931  405.515   10.874  384.355   7.6703 21.15991 13.30675 
1 1 1    6    6   27 o  921.420   22.282  2304.05  110.942  2304.05  110.942   0.0000   0.0000  921.420   22.282  ?   ?       ?      ? 
1 1 1    6    6   28 o  676.113   16.715  1237.84   61.067  1237.84   61.067   0.0000   0.0000  676.113   16.715  ?   ?       ?      ? 
1 1 1    6    6   29 o  1389.95   23.595  5263.63  177.153  5333.33  254.578  5198.20  246.673  1398.76   33.681  1381.15   33.052 17.60840 47.18954 
1 1 1    6    6   30 o  503.237   8.2109  690.921   21.113  666.667   36.013  703.624   26.062  496.352   13.427  510.123   9.4547 -13.77081 16.42180 
1 1 1    6    6   31 o  451.412   6.1343  550.848   14.962  555.764   21.347  546.102   20.976  453.389   8.7130  449.434   8.6372 3.955688 12.26861 
1 1 1    6    6   32 o  1313.20   15.726  4679.35  111.583  4640.59  156.480  4719.45  159.159  1307.70   22.144  1318.71   22.335 -11.01477 31.45223 
1 1 1    6    6   33 o  1460.82   17.477  5799.37  137.945  5746.32  193.264  5854.46  196.956  1454.05   24.597  1467.59   24.836 -13.53430 34.95467 
1 1 1    6    6   34 o  722.319   9.0044  1412.26   35.146  1409.06   49.633  1415.48   49.774  721.498   12.731  723.140   12.738 -1.641663 18.00878 
1 1 1    6    6   35 o  423.908   6.0313  485.468   13.806  498.441   19.976  473.605   19.103  429.321   8.6108  418.496   8.4474 10.82556 12.06258 
1 1 1    6    6   36 o  251.613   7.4692  172.243   10.075  180.360   13.619  162.432   14.972  258.221   9.7604  245.004   11.309 13.21771 14.93836 
1 1 1    6    6   37 o  147.410   15.249   58.896   12.146   0.0000   0.0000   58.896   12.146  ?   ?   147.410   15.249      ?      ? 
1 1 1    6    6   38 o  238.775   11.968  154.347   15.441  154.347   15.441   0.0000   0.0000  238.775   11.968  ?   ?       ?      ? 
1 1 1    6    6   39 o  440.536   7.5428  518.133   16.874  504.774   20.477  546.396   29.784  431.949   8.7728  449.122   12.273 -17.17294 15.08567 
1 1 1    6    6   40 o  664.109   8.4215  1194.67   30.221  1196.55   42.910  1192.81   42.569  664.622   11.948  663.595   11.871 1.027405 16.84296 
1 1 1    6    6   41 o  469.168   6.4952  595.800   16.465  598.859   23.493  592.847   23.082  470.346   9.2434  467.991   9.1273 2.355743 12.99032 
1 1 1    6    6   42 o  395.628   8.2457  423.656   17.628   0.0000   0.0000  423.656   17.628  ?   ?   395.628   8.2457      ?      ? 
1 1 1    6    6   43 o  408.915   5.9834  452.702   13.220  453.873   18.829  451.564   18.565  409.431   8.5107  408.398   8.4126 1.032867 11.96674 
1 1 1    6    6   44 o  288.018   5.3474  224.265   8.3148  231.659   12.080  217.608   11.462  292.517   7.6425  283.519   7.4815 8.997375 10.69487 
1 1 1    6    6   45 o  174.979   5.7999   82.617   5.4683   87.318   8.1148   78.706   7.4011  179.510   8.3656  170.447   8.0356 9.062332 11.59976 
1 1 1    6    6   46 o  108.979   7.8253   32.232   4.5991   35.188   6.6291   29.490   6.3859  113.805   10.780  104.154   11.346 9.651405 15.65057 
1 1 1    6    6   47 o  198.704   5.4772  107.059   5.8800  109.585   8.3296  104.550   8.3017  201.047   7.6672  196.360   7.8240 4.687073 10.95446 
1 1 1    6    6   48 o  156.913   6.0560   66.795   5.1259   67.518   7.4922   66.159   7.0282  157.691   8.7925  156.136   8.3302 1.555161 12.11195 
1 1 1    6    6   49 o  157.590   6.0631   67.283   5.1564   71.524   7.5151   63.510   7.0881  162.271   8.5705  152.909   8.5784 9.362122 12.12616 
1 1 1    6    6   50 o  194.089   5.5555  102.449   5.8163   95.416   8.2226  109.492   8.2284  187.379   8.1208  200.799   7.5834 -13.42049 11.11110 
1 1 1    6    6   51 o  103.460   8.1367   29.391   4.5268   28.122   6.6498   30.488   6.1798  101.295   12.149  105.624   10.827 -4.328972 16.27346 
1 1 1    6    6   52 o  198.024   5.5243  106.919   5.8954  101.776   8.5184  111.647   8.1675  193.383   8.1518  202.664   7.4580 -9.280365 11.04867 
1 1 1    6    6   53 o  290.296   5.3363  229.334   8.3694  232.665   11.976  226.153   11.701  292.346   7.5808  288.245   7.5125 4.101074 10.67267 
1 1 1    6    6   54 o  163.906   6.0790   73.421   5.3759   72.100   7.7788   74.628   7.4380  162.440   8.8620  165.373   8.3235 -2.932770 12.15793 
1 1 1    6    6   55 o  243.564   5.3229  161.849   7.0029  158.715   9.9775  164.892   9.8312  241.200   7.6552  245.927   7.3980 -4.726791 10.64574 
1 1 1    6    6   56 o  245.054   5.4115  164.062   7.1632  162.416   10.239  165.639   10.025  243.809   7.7720  246.299   7.5322 -2.490295 10.82305 
1 1 1    6    6   57 o  153.279   6.4984   64.438   5.3741   68.056   7.8721   61.281   7.3544  157.275   9.2628  149.283   9.1170 7.991837 12.99683 
1 1 1    6    6   58 f   67.047   14.067   13.307   5.8729   6.5901   8.4683   19.532   8.1517   53.777   20.687   80.317   19.067 -26.54014 28.13407 
1 1 1    6    6   59 o  107.053   10.950   33.058   6.2898   30.586   9.2029   35.225   8.6164  102.828   16.562  111.279   14.329 -8.450684 21.90076 
1 1 1    6    6   60 o   77.827   11.685   17.852   4.8789   23.607   7.1604   12.865   6.6658   90.744   14.603   64.911   18.245 25.83341 23.36919 
1 1 1    6    6   61 o  162.097   6.6056   72.506   5.7718   77.652   8.5346   68.168   7.8352  167.332   9.4389  156.863   9.2436 10.46909 13.21124 
1 1 1    6    6   62 o  118.801   8.5716   39.552   5.4091   50.713   8.0992   30.566   7.2675  134.179   11.170  103.423   13.004 30.75552 17.14312 
1 1 1    6    6   63 o   48.715   13.452   5.5714   5.1313   4.7275   7.5585   6.2928   6.9886   47.762   19.179   49.668   18.867 -1.905216 26.90395 
1 1 1    6    6   64 o  232.593   6.0252  150.122   7.5478  160.461   11.246  141.645   10.182  239.704   8.6819  225.482   8.3567 14.22250 12.05034 
1 1 1    6    6   65 o  116.003   12.903   38.340   7.4390   23.044   9.3323   65.000   12.320   83.875   20.713  148.131   15.392 -64.25622 25.80590 
1 1 1    6    6   66 o  253.655   9.4170  193.053   12.753  194.685   19.561  191.847   16.820  252.567   14.332  254.743   12.219 -2.175552 18.83402 
1 1 1    6    6   67 o   36.417   12.565 -10.2864   6.4982  -7.2230   13.087 -11.2889   7.4863   43.519   20.650   29.314   14.321 14.20572 25.13030 
1 1 1    6    6   68 o   65.591   14.702   16.058   5.8358   17.006   8.5627   15.236   7.9748   67.062   21.147   64.120   20.429 2.941864 29.40322 
1 1 1    6    7    0 o  1326.08   15.822  4761.88  113.377  4751.45  159.919  4772.41  160.764  1324.62   22.342  1327.53   22.411 -2.909546 31.64488 
1 1 1    6    7    3 o  443.656   5.9327  531.567   14.214  543.571   20.534  520.521   19.697  448.461   8.4733  438.852   8.3060 9.608765 11.86536 
1 1 1    6    7    5 o  1386.43   15.078  5217.45  111.115  5137.68  172.836  5273.65  145.067  1377.08   23.227  1395.79   19.234 -18.70435 30.15645 
1 1 1    6    7    6 f  612.349   7.6993  1013.42   25.476   0.0000   0.0000  1013.42   25.476  ?   ?   612.349   7.6993      ?      ? 
1 1 1    6    7    7 o  1338.42   22.574  4852.83  163.263   0.0000   0.0000  4852.83  163.263  ?   ?   1338.42   22.574      ?      ? 
1 1 1    6    7    8 o  1437.42   20.862  5663.64  155.391  5412.16  256.415  5809.60  195.348  1410.93   33.632  1463.91   24.695 -52.98145 41.72454 
1 1 1    6    7    9 o  389.322   7.6368  409.670   16.066   0.0000   0.0000  409.670   16.066  ?   ?   389.322   7.6368      ?      ? 
1 1 1    6    7   10 o  184.387   4.1150   91.870   4.0986   88.530   5.7592   95.298   5.8342  180.991   5.8887  187.783   5.7495 -6.792526 8.230044 
1 1 1    6    7   11 o  523.209   6.7315  740.256   19.031  740.261   26.969  740.251   26.860  523.210   9.5389  523.208   9.5005 0.1525879E-02 13.46295 
1 1 1    6    7   15 o  358.039   5.0837  346.022   9.8252  358.063   14.300  335.254   13.523  363.927   7.2715  352.151   7.1064 11.77667 10.16738 
1 1 1    6    7   16 o  391.241   5.4008  413.527   11.411  422.837   16.499  404.992   15.797  395.456   7.7212  387.027   7.5537 8.428650 10.80158 
1 1 1    6    7   18 o  1060.42   12.782  3051.85   73.240  3040.92  103.269  3062.91  103.888  1058.51   18.055  1062.32   18.098 -3.808228 25.56337 
1 1 1    6    7   19 o  509.047   6.6049  701.026   18.168  700.219   25.728  701.828   25.659  508.754   9.3587  509.341   9.3227 -0.5868835 13.20976 
1 1 1    6    7   20 o  147.861   4.1781   59.095   3.3296   59.155   4.8891   59.042   4.5470  147.929   6.1163  147.793   5.6935 0.1360321 8.356144 
1 1 1    6    7   21 o  380.292   5.3289  391.027   10.951  387.670   15.442  394.422   15.531  378.650   7.5471  381.934   7.5253 -3.284271 10.65781 
1 1 1    6    7   22 o  559.258   7.1420  845.873   21.579  831.832   30.151  860.619   30.898  554.505   10.062  564.012   10.138 -9.507690 14.28410 
1 1 1    6    7   23 o  459.726   8.6271  571.519   21.431   0.0000   0.0000  571.519   21.431  ?   ?   459.726   8.6271      ?      ? 
1 1 1    6    7   24 o  1134.15   16.645  3517.57   97.277  3421.17  163.278  3570.61  121.119  1121.00   26.955  1147.29   19.537 -26.28723 33.29018 
1 1 1    6    7   25 o  216.757   5.6094  127.052   6.5661  121.487   9.2602  132.680   9.3116  211.979   8.0843  221.535   7.7785 -9.556061 11.21875 
1 1 1    6    7   26 o  559.043   14.162  845.946   42.782  845.946   42.782   0.0000   0.0000  559.043   14.162  ?   ?       ?      ? 
1 1 1    6    7   27 o  457.339   8.7396  565.465   21.598  565.465   21.598   0.0000   0.0000  457.339   8.7396  ?   ?       ?      ? 
1 1 1    6    7   28 o  1322.16   19.417  4760.49  131.049  4720.72  225.450  4780.79  161.051  1316.70   31.687  1327.62   22.449 -10.91150 38.83311 
1 1 1    6    7   29 o  244.397   6.0686  160.885   7.2320  162.860   13.598  160.105   8.5400  245.407   10.254  243.387   6.4934 2.020172 12.13729 
1 1 1    6    7   30 o  395.515   5.6369  422.876   12.047  419.780   16.989  426.006   17.086  394.059   7.9786  396.971   7.9650 -2.912018 11.27380 
1 1 1    6    7   31 o  572.515   7.3674  885.897   22.783  868.062   31.677  905.011   32.793  566.553   10.347  578.477   10.491 -11.92426 14.73483 
1 1 1    6    7   32 o  470.866   6.3829  599.430   16.239  594.499   22.793  604.515   23.143  468.901   8.9956  472.832   9.0578 -3.930847 12.76576 
1 1 1    6    7   33 o  770.486   9.5400  1606.20   39.703  1577.00   55.216  1637.46   57.131  763.251   13.388  777.720   13.595 -14.46924 19.07994 
1 1 1    6    7   34 o  848.215   10.416  1948.93   47.741  1938.42   67.224  1959.62   67.812  845.912   14.707  850.518   14.755 -4.606934 20.83236 
1 1 1    6    7   35 o  480.221   6.5545  621.857   16.977  594.792   23.154  653.318   24.965  468.963   9.1371  491.480   9.4001 -22.51688 13.10909 
1 1 1    6    7   36 o  676.096   12.263  1239.53   44.795  1220.27   62.644  1259.69   64.079  670.732   17.284  681.460   17.401 -10.72803 24.52647 
1 1 1    6    7   37 o  439.729   13.052  523.649   31.014   0.0000   0.0000  523.649   31.014  ?   ?   439.729   13.052      ?      ? 
1 1 1    6    7   38 o  577.168   9.6142  862.715   26.492  988.288   53.004  820.899   30.587  603.575   16.251  550.760   10.277 52.81439 19.22834 
1 1 1    6    7   39 o  167.664   6.9606   73.962   6.1543   67.086   7.7555   85.653   10.113  157.456   9.1152  177.871   10.522 -20.41505 13.92120 
1 1 1    6    7   40 o  229.689   5.5303  142.777   6.8534  152.948   9.7463  132.830   9.6389  237.792   7.5850  221.586   8.0500 16.20634 11.06054 
1 1 1    6    7   41 o  536.648   7.1376  780.027   20.696  786.407   29.497  773.839   29.047  538.804   10.131  534.491   10.057 4.312805 14.27520 
1 1 1    6    7   42 o  180.725   5.8468   88.397   5.7093   89.544   8.1438   87.289   8.0061  181.877   8.2864  179.574   8.2507 2.303070 11.69351 
1 1 1    6    7   43 o  366.078   5.7372  362.834   11.349  359.614   16.038  366.064   16.062  364.448   8.1438  367.708   8.0834 -3.259308 11.47447 
1 1 1    6    7   44 o  172.634   5.8417   80.712   5.4485   81.928   7.7935   79.549   7.6202  173.904   8.2935  171.364   8.2292 2.540558 11.68337 
1 1 1    6    7   45 o  151.701   6.2947   62.119   5.1482   66.860   7.5952   58.089   7.0021  157.029   8.9509  146.373   8.8528 10.65598 12.58932 
1 1 1    6    7   46 o  307.963   5.3862  256.813   8.9593  264.072   12.908  250.066   12.445  312.155   7.6527  303.772   7.5816 8.382477 10.77244 
1 1 1    6    7   47 o  268.320   5.2492  195.194   7.6067  195.357   10.943  195.041   10.581  268.413   7.5448  268.227   7.3002 0.1866150 10.49843 
1 1 1    6    7   48 o  350.853   5.6282  334.010   10.669  329.409   15.109  338.587   15.069  348.431   8.0249  353.276   7.8936 -4.844940 11.25642 
1 1 1    6    7   49 o  115.996   7.7090   36.599   4.8201   40.407   6.9991   33.164   6.6479  121.746   10.639  110.246   11.159 11.50034 15.41803 
1 1 1    6    7   50 f   76.377   11.199   16.541   4.4693   20.134   6.6078   13.511   6.0677   84.241   15.069   68.512   16.571 15.72958 22.39783 
1 1 1    6    7   51 o  143.671   6.5849   56.277   5.1026   55.976   7.4357   56.546   7.0150  143.267   9.6048  144.074   9.0106 -0.8075256 13.16978 
1 1 1    6    7   52 o   36.970   11.309  -0.7785   4.2246  -3.2355   6.2190   1.3267   5.7566   34.354   15.561   39.585   16.414 -5.230900 22.61766 
1 1 1    6    7   53 o  370.260   5.7764  373.286   11.545  384.313   16.800  363.419   15.892  375.387   8.2820  365.133   8.0546 10.25464 11.55283 
1 1 1    6    7   54 o   67.606   12.052   13.429   4.4026   12.393   6.4883   14.313   5.9935   65.111   17.890   70.102   16.154 -4.990898 24.10407 
1 1 1    6    7   55 o  273.702   5.3963  204.526   7.9786  203.477   11.411  205.529   11.160  272.977   7.7358  274.427   7.5259 -1.450439 10.79267 
1 1 1    6    7   56 f  170.695   7.0015   79.789   6.2223   81.824   10.331   78.631   7.7946  171.979   11.117  169.410   8.5146 2.569351 14.00301 
1 1 1    6    7   57 o  206.347   7.4952  117.807   8.3478  125.833   11.977  110.225   11.641  213.273   10.393  199.421   10.803 13.85194 14.99034 
1 1 1    6    7   58 o   82.311   13.280   20.710   6.0000   13.973   8.7241   26.757   8.2650   67.938   21.334   96.684   15.820 -28.74612 26.55972 
1 1 1    6    7   59 o  129.881   7.5257   46.883   5.2654   47.894   7.7910   46.033   7.1438  131.037   11.003  128.725   10.270 2.311737 15.05132 
1 1 1    6    7   60 o  253.570   5.6347  176.428   7.7067  186.522   11.325  167.721   10.518  260.254   8.0526  246.886   7.8840 13.36833 11.26949 
1 1 1    6    7   61 o  153.868   6.9387   65.735   5.7437   66.888   8.5627   64.791   7.7444  154.904   10.230  152.832   9.3774 2.071686 13.87733 
1 1 1    6    7   62 o  251.668   5.7886  174.791   7.8561  180.620   11.552  169.775   10.716  255.433   8.3690  247.903   7.9994 7.529572 11.57717 
1 1 1    6    7   63 o  208.814   6.2348  120.415   6.9983  138.308   10.464  105.932   9.4137  222.807   8.6909  194.821   8.9420 27.98611 12.46963 
1 1 1    6    7   64 o  109.916   10.581   36.710   5.9448   28.698   8.6323   43.938   8.1988   96.201   17.239  123.630   12.273 -27.42883 21.16124 
1 1 1    6    7   65 o   73.300   24.680   18.831   11.570   0.0000   0.0000   18.831   11.570  ?   ?    73.300   24.680      ?      ? 
1 1 1    6    7   66 o   72.181   16.960   21.234   8.9542   7.8018   13.661   31.351   11.856   54.568   23.988   89.794   23.981 -35.22606 33.91961 
1 1 1    6    7   67 o   50.915   15.587   2.8081   8.7512 -10.5721   13.424   12.698   11.541   41.666   20.074   60.164   23.851 -18.49757 31.17462 
1 1 1    6    8    1 o  1660.73   27.966  7481.90  250.964   0.0000   0.0000  7481.90  250.964  ?   ?   1660.73   27.966      ?      ? 
1 1 1    6    8    2 o  1223.15   14.650  4051.04   96.823  4029.97  136.257  4072.54  137.610  1219.94   20.670  1226.36   20.766 -6.414673 29.29917 
1 1 1    6    8    4 f  1035.93   12.494  2901.91   69.890  2840.12   96.726  2969.42  101.098  1024.42   17.473  1047.44   17.862 -23.02075 24.98730 
1 1 1    6    8    5 o  1406.20   19.242  5424.80  129.012  5238.74  248.343  5493.57  150.984  1388.06   33.110  1424.34   19.617 -36.28064 38.48466 
1 1 1    6    8    6 o  1086.82   15.092  3195.95   88.629   0.0000   0.0000  3195.95   88.629  ?   ?   1086.82   15.092      ?      ? 
1 1 1    6    8    7 o  597.468   8.7423  965.013   28.225   0.0000   0.0000  965.013   28.225  ?   ?   597.468   8.7423      ?      ? 
1 1 1    6    8    8 o  734.101   11.094  1458.27   41.401  1461.94   72.041  1456.46   50.590  734.521   18.150  733.681   12.761 0.8392944 22.18711 
1 1 1    6    8   10 o  729.813   9.0099  1441.19   35.524  1458.36   50.875  1424.84   49.626  734.047   12.826  725.579   12.657 8.468811 18.01970 
1 1 1    6    8   11 o  481.702   6.3603  627.314   16.551  634.439   23.720  620.553   23.107  484.363   9.0626  479.040   8.9264 5.323456 12.72053 
1 1 1    6    8   12 o  465.836   6.1735  586.543   15.535  596.250   22.335  577.446   21.621  469.565   8.8024  462.108   8.6584 7.457367 12.34708 
1 1 1    6    8   14 o  692.123   8.5868  1296.59   32.114  1297.92   45.499  1295.28   45.335  692.474   12.159  691.772   12.128 0.7022095 17.17358 
1 1 1    6    8   15 o  561.013   7.1694  851.202   21.728  862.283   31.168  840.724   30.307  564.558   10.217  557.468   10.061 7.090942 14.33883 
1 1 1    6    8   16 o  636.256   7.9845  1095.61   27.452  1096.64   38.893  1094.60   38.752  636.551   11.307  635.962   11.276 0.5895996 15.96906 
1 1 1    6    8   17 o  309.639   6.6394  259.204   11.109   0.0000   0.0000  259.204   11.109  ?   ?   309.639   6.6394      ?      ? 
1 1 1    6    8   18 o  745.966   9.1964  1506.97   37.066  1491.10   51.947  1523.44   52.904  741.972   12.956  749.960   13.055 -7.988037 18.39272 
1 1 1    6    8   19 o  998.486   12.076  2704.26   65.152  2682.83   91.495  2726.30   92.796  994.487   17.026  1002.49   17.130 -7.998962 24.15221 
1 1 1    6    8   20 o  496.571   6.4917  666.954   17.418  667.902   24.764  666.025   24.505  496.918   9.2224  496.224   9.1388 0.6936646 12.98349 
1 1 1    6    8   21 o  602.670   9.3556  968.598   28.218  1022.97   51.217  944.899   33.813  614.388   15.427  590.952   10.589 23.43610 18.71118 
1 1 1    6    8   22 o   88.468   7.1915   21.707   3.3266   18.709   5.2000   23.784   4.3280   83.151   11.573   93.784   8.5403 -10.63298 14.38295 
1 1 1    6    8   23 o  1366.52   23.215  5101.11  171.392  5042.79  239.656  5162.16  245.210  1358.62   32.644  1374.43   33.016 -15.81213 46.42953 
1 1 1    6    8   24 o  557.021   9.9789  839.470   30.025  821.171   41.784  859.009   43.175  550.754   14.040  563.289   14.185 -12.53430 19.95786 
1 1 1    6    8   25 o  438.163   5.9994  514.503   14.125  478.125   18.799  561.670   21.406  420.539   8.2726  455.787   8.6912 -35.24811 11.99881 
1 1 1    6    8   26 o  711.978   10.896  1376.20   39.619  1384.43   48.726  1360.14   68.062  715.358   12.605  708.599   17.775 6.759338 21.79111 
1 1 1    6    8   27 o  978.274   14.495  2615.33   73.059  2522.52  122.419  2666.67   91.052  964.186   23.496  992.363   16.980 -28.17657 28.98943 
1 1 1    6    8   28 o  920.881   13.768  2301.83   64.577  2288.29  111.707  2308.62   79.141  918.356   22.510  923.406   15.861 -5.050049 27.53676 
1 1 1    6    8   29 o  512.529   6.7759  709.709   18.757  691.731   26.031  729.123   27.050  505.787   9.5245  519.272   9.6402 -13.48547 13.55174 
1 1 1    6    8   30 o  798.249   9.8368  1724.09   42.423  1700.75   59.319  1748.53   60.695  792.726   13.848  803.772   13.974 -11.04626 19.67355 
1 1 1    6    8   31 o  824.434   10.130  1839.82   45.126  1829.78   63.546  1850.03   64.092  822.167   14.303  826.700   14.347 -4.532959 20.25911 
1 1 1    6    8   32 o  733.554   9.1415  1456.34   36.234  1461.28   51.531  1451.51   50.959  734.779   12.979  732.328   12.877 2.450500 18.28303 
1 1 1    6    8   33 o  730.238   9.1150  1443.55   35.965  1449.20   51.179  1438.03   50.552  731.644   12.945  728.831   12.836 2.813538 18.22996 
1 1 1    6    8   34 o  818.469   10.098  1814.25   44.660  1822.67   63.514  1806.02   62.810  820.341   14.328  816.598   14.234 3.742737 20.19669 
1 1 1    6    8   35 o  402.566   12.651  438.739   27.520   0.0000   0.0000  438.739   27.520  ?   ?   402.566   12.651      ?      ? 
1 1 1    6    8   36 o  217.456   9.2861  128.124   10.893  137.815   15.502  118.671   15.310  225.599   12.716  209.313   13.536 16.28569 18.57215 
1 1 1    6    8   37 o  744.577   13.359  1503.61   53.700  1462.39   74.054  1549.32   77.985  733.872   18.674  755.282   19.108 -21.41077 26.71763 
1 1 1    6    8   38 o  422.237   7.4718  466.899   15.706  522.973   29.155  443.974   18.642  439.368   12.280  405.107   8.5159 34.26132 14.94368 
1 1 1    6    8   39 o  418.093   6.1545  471.901   13.884  454.321   19.023  491.943   20.311  409.786   8.5908  426.401   8.8152 -16.61462 12.30896 
1 1 1    6    8   40 o  154.888   7.3642   66.683   5.9723   73.785   7.8184   56.734   9.2540  165.106   8.7633  144.671   11.838 20.43539 14.72831 
1 1 1    6    8   41 o  328.518   5.5338  292.003   9.8223  296.637   14.022  287.538   13.764  331.076   7.8376  325.960   7.8142 5.115814 11.06750 
1 1 1    6    8   42 f  550.818   7.2894  822.077   21.691  832.083   31.098  812.597   30.270  554.067   10.387  547.568   10.230 6.499878 14.57874 
1 1 1    6    8   43 o  351.057   5.6204  333.617   10.657  337.328   15.336  330.151   14.820  352.935   8.0415  349.178   7.8542 3.756409 11.24071 
1 1 1    6    8   44 o  351.468   5.6399  334.574   10.707  337.226   15.390  332.087   14.906  352.806   8.0724  350.130   7.8786 2.675629 11.27987 
1 1 1    6    8   45 o  274.937   5.3731  204.666   7.9801  210.700   11.459  198.984   11.120  278.868   7.6041  271.005   7.5934 7.862518 10.74627 
1 1 1    6    8   46 o  443.158   6.3253  533.112   15.147  531.049   21.390  535.187   21.453  442.297   8.9496  444.018   8.9411 -1.721680 12.65063 
1 1 1    6    8   47 o  260.052   5.3307  183.344   7.4884  184.756   10.746  182.011   10.441  261.014   7.6190  259.089   7.4575 1.925964 10.66136 
1 1 1    6    8   48 o  236.210   5.3932  151.377   6.8802  144.888   9.6726  158.022   9.7887  231.071   7.7466  241.349   7.5057 -10.27815 10.78632 
1 1 1    6    8   49 o  187.762   5.6860   95.710   5.7590   97.132   8.4223   94.461   7.8925  189.044   8.2448  186.480   7.8324 2.564026 11.37204 
1 1 1    6    8   50 o  177.688   5.8562   85.772   5.6168   87.952   8.1732   83.820   7.7320  179.807   8.4120  175.569   8.1499 4.237930 11.71249 
1 1 1    6    8   51 o   88.090   9.5241   21.390   4.5283   22.588   6.4114   20.198   6.3967   90.599   13.096   85.581   13.832 5.018082 19.04830 
1 1 1    6    8   52 o   56.659   12.666   8.9486   4.3552   7.9673   6.1274   9.9505   6.1914   54.207   17.955   59.111   17.868 -4.903999 25.33106 
1 1 1    6    8   53 o   70.011   11.883   14.334   4.4418   13.321   6.4087   15.271   6.1619   67.512   17.443   72.509   16.142 -4.996674 23.76553 
1 1 1    6    8   54 o  114.273   8.0056   36.493   4.8735   31.675   7.1797   40.611   6.6366  106.946   12.424  121.600   10.100 -14.65328 16.01130 
1 1 1    6    8   55 o  153.363   8.1746   65.245   6.7598   62.613   9.7507   67.680   9.3797  150.232   12.011  156.494   11.092 -6.262024 16.34915 
1 1 1    6    8   56 o  168.960   7.7724   79.150   7.0832   73.604   10.002   84.730   10.033  162.874   11.364  175.047   10.606 -12.17329 15.54485 
1 1 1    6    8   57 o  150.473   8.5009   63.139   6.9090   65.788   9.8625   60.586   9.6817  153.627   11.880  147.318   12.162 6.308273 17.00179 
1 1 1    6    8   58 o  131.658   7.4497   47.675   5.2734   54.367   7.8986   42.293   7.0834  139.944   10.445  123.373   10.625 16.57150 14.89931 
1 1 1    6    8   59 o  214.335   5.7057  126.077   6.5993  132.309   9.6460  120.593   9.0482  219.268   8.1411  209.402   7.9964 9.865906 11.41138 
1 1 1    6    8   60 o   75.632   12.301   17.448   4.9050   17.023   7.3259   17.794   6.6036   74.369   18.344   76.894   16.394 -2.524673 24.60183 
1 1 1    6    8   61 o  140.903   7.3910   55.669   5.6154   52.486   8.0264   58.721   7.8591  136.756   10.861  145.051   10.027 -8.295258 14.78205 
1 1 1    6    8   62 o  193.773   6.2920  104.315   6.5776  104.152   9.5704  104.462   9.0553  193.474   9.1541  194.072   8.6348 -0.5978546 12.58400 
1 1 1    6    8   63 o  108.445   9.6995   34.410   5.6674   37.964   8.1616   31.100   7.8759  114.139   13.233  102.751   14.185 11.38741 19.39896 
1 1 1    6    8   64 o  113.488   13.345   37.340   8.1836   0.0000   0.0000   37.340   8.1836  ?   ?   113.488   13.345      ?      ? 
1 1 1    6    8   65 o   82.929   15.069   25.601   7.2435   30.631   8.9047   15.761   12.454   99.562   16.552   66.297   25.186 33.26437 30.13766 
1 1 1    6    8   66 o   69.958   17.662   16.865   8.9267   30.405   13.887   7.3288   11.653   86.077   26.898   53.840   22.899 32.23731 35.32479 
1 1 1    6    8   67 o   70.922   16.435   17.541   8.6584   35.788   12.887   2.5248   11.690   94.335   24.911   47.509   21.444 46.82604 32.86967 
1 1 1    6    9    0 o  928.687   11.284  2331.25   56.561  2400.57   82.421  2269.55   77.761  941.690   16.197  915.683   15.716 26.00665 22.56834 
1 1 1    6    9    1 o  566.002   7.2623  866.219   22.211  869.343   31.553  863.150   31.271  567.012   10.298  564.991   10.243 2.020874 14.52460 
1 1 1    6    9    2 o  891.135   10.863  2149.50   52.306  2136.19   73.533  2163.14   74.418  888.347   15.318  893.922   15.406 -5.575684 21.72548 
1 1 1    6    9    3 o  725.498   8.9960  1423.79   35.261  1438.29   50.419  1409.91   49.333  729.107   12.797  721.890   12.647 7.217285 17.99192 
1 1 1    6    9    5 o  777.446   11.001  1638.83   40.191  1633.11   79.778  1640.77   46.526  776.078   19.023  778.815   11.055 -2.736389 22.00263 
1 1 1    6    9    6 o  484.050   8.9717  633.582   23.467   0.0000   0.0000  633.582   23.467  ?   ?   484.050   8.9717      ?      ? 
1 1 1    6    9    7 f  407.901   5.7088  449.696   12.583   0.0000   0.0000  449.696   12.583  ?   ?   407.901   5.7088      ?      ? 
1 1 1    6    9    8 o  624.658   9.6632  1052.30   30.532  1068.02   53.817  1044.83   37.075  627.866   15.862  621.451   11.041 6.414978 19.32638 
1 1 1    6    9    9 o  343.379   5.1250  318.755   9.5091  318.878   13.504  318.635   13.393  343.444   7.2762  343.314   7.2193 0.1295166 10.24993 
1 1 1    6    9   11 o  611.474   10.974  1011.66   36.259  1011.66   36.259   0.0000   0.0000  611.474   10.974  ?   ?       ?      ? 
1 1 1    6    9   12 o  647.772   8.1645  1135.43   28.576  1124.67   40.116  1146.51   40.716  644.658   11.516  650.885   11.577 -6.226501 16.32899 
1 1 1    6    9   16 o  961.408   11.658  2507.24   60.562  2494.50   85.276  2520.21   86.023  958.951   16.457  963.866   16.516 -4.914795 23.31542 
1 1 1    6    9   17 o  423.881   5.8191  485.858   13.326  488.983   19.061  482.870   18.637  425.211   8.2959  422.551   8.1623 2.659485 11.63811 
1 1 1    6    9   18 o  588.244   9.0396  952.945   28.023  855.180   43.475  1022.44   36.655  561.827   14.320  614.660   11.036 -52.83374 18.07914 
1 1 1    6    9   19 o  431.499   8.1718  503.875   19.049  506.531   27.294  501.351   26.598  432.600   11.676  430.398   11.436 2.202179 16.34365 
1 1 1    6    9   20 o  261.214   6.1535  184.555   8.6742  183.964   12.586  185.090   11.971  260.809   8.9308  261.619   8.4678 -0.8100891 12.30702 
1 1 1    6    9   21 o  222.942   5.9263  134.736   7.1143  129.617   10.389  139.257   9.7629  218.936   8.7811  226.949   7.9609 -8.012344 11.85259 
1 1 1    6    9   22 o  611.181   9.4136  1010.91   29.499  1010.49   36.370  1011.71   50.433  611.173   11.013  611.188   15.271 -0.1501465E-01 18.82728 
1 1 1    6    9   24 o  552.592   7.1440  825.390   21.326  809.376   29.736  842.351   30.603  547.078   10.059  558.106   10.147 -11.02856 14.28802 
1 1 1    6    9   25 o  561.735   14.747  854.054   44.764   0.0000   0.0000  854.054   44.764  ?   ?   561.735   14.747      ?      ? 
1 1 1    6    9   26 o  1584.56   18.913  6820.93  161.928  6866.72  230.798  6776.55  227.245  1589.76   26.867  1579.37   26.627 10.39453 37.82615 
1 1 1    6    9   27 o  1089.00   16.065  3242.60   90.097  3135.14  151.195  3301.77  112.192  1074.16   26.048  1103.83   18.809 -29.66895 32.12943 
1 1 1    6    9   28 o  695.937   8.7112  1309.81   32.751  1289.69   45.685  1331.09   46.975  690.444   12.245  701.430   12.393 -10.98578 17.42233 
1 1 1    6    9   29 o  1242.22   14.917  4185.35  100.122  4159.31  140.680  4212.08  142.527  1238.32   21.024  1246.12   21.166 -7.798828 29.83316 
1 1 1    6    9   30 o  1081.87   13.071  3171.97   76.409  3147.17  107.299  3197.47  108.834  1077.59   18.427  1086.15   18.543 -8.555298 26.14202 
1 1 1    6    9   31 f  914.095   11.155  2262.96   55.092  2239.56   77.165  2287.28   78.682  909.287   15.705  918.903   15.846 -9.615356 22.30992 
1 1 1    6    9   32 o  507.798   6.8157  697.270   18.699  685.980   26.181  709.027   26.716  503.604   9.6209  511.992   9.6567 -8.387970 13.63132 
1 1 1    6    9   33 o  254.713   7.4841  175.408   10.301  175.408   10.301   0.0000   0.0000  254.713   7.4841  ?   ?       ?      ? 
1 1 1    6    9   34 o  751.811   11.610  1527.52   44.173  1518.94   53.690  1545.49   77.715  748.985   13.266  754.638   19.058 -5.652283 23.22036 
1 1 1    6    9   35 o  117.017   14.453   38.583   8.7322   49.369   12.354   27.815   12.344  134.911   16.947   99.124   23.418 35.78665 28.90679 
1 1 1    6    9   36 o  661.211   12.153  1185.75   43.409  1200.22   62.280  1172.07   60.536  665.112   17.329  657.310   17.043 7.802124 24.30538 
1 1 1    6    9   37 o  909.041   13.733  2256.62   63.784  2217.57  109.274  2276.80   78.556  902.079   22.417  916.003   15.871 -13.92413 27.46658 
1 1 1    6    9   38 o  588.295   7.7257  937.142   24.558  932.295   34.864  941.915   34.599  586.777   10.995  589.813   10.856 -3.035889 15.45148 
1 1 1    6    9   39 f  668.666   10.387  1205.71   35.194  1236.71   61.963  1190.95   42.760  674.437   17.002  662.894   11.937 11.54260 20.77433 
1 1 1    6    9   40 o  218.922   6.3289  129.512   7.3478  128.474   9.5003  131.059   11.592  217.875   8.0694  219.970   9.7522 -2.094559 12.65785 
1 1 1    6    9   41 o  267.110   6.2285  196.423   8.7923  212.082   11.588  175.180   13.497  279.937   7.6608  254.283   9.8229 25.65352 12.45698 
1 1 1    6    9   42 o  432.042   6.2281  505.639   14.539  504.537   20.644  506.724   20.481  431.570   8.8523  432.515   8.7630 -0.9456177 12.45611 
1 1 1    6    9   43 o  242.964   5.4308  159.864   7.1294  156.911   10.044  162.863   10.121  240.699   7.7224  245.229   7.6379 -4.529114 10.86154 
1 1 1    6    9   44 o  285.163   5.4374  220.336   8.3767  218.541   11.946  222.072   11.749  284.011   7.7838  286.315   7.5942 -2.304230 10.87475 
1 1 1    6    9   45 o  182.208   5.8664   90.115   5.7617   82.290   8.1004   98.128   8.1972  174.169   8.6069  190.247   7.9737 -16.07845 11.73277 
1 1 1    6    9   46 o  104.604   8.1827   29.777   4.6214   31.497   6.6644   28.183   6.4141  107.518   11.471  101.691   11.673 5.827087 16.36539 
1 1 1    6    9   47 o  197.415   5.7391  105.610   6.1169  111.868   8.8290   99.833   8.4827  203.038   8.0472  191.792   8.1849 11.24620 11.47830 
1 1 1    6    9   48 o  305.200   5.4460  252.894   8.9797  252.385   12.822  253.384   12.580  304.883   7.7825  305.517   7.6203 -0.6336975 10.89203 
1 1 1    6    9   49 o  172.742   5.9742   81.106   5.5617   73.286   7.7431   89.440   7.9939  164.108   8.7317  181.377   8.1562 -17.26825 11.94845 
1 1 1    6    9   50 o  288.728   5.4539  226.588   8.5061  227.312   12.202  225.904   11.864  289.155   7.8092  288.302   7.6155 0.8531494 10.90777 
1 1 1    6    9   51 o   70.335   11.537   13.996   4.6375   21.710   6.6773   6.8076   6.4456   88.607   13.946   52.063   18.382 36.54434 23.07387 
1 1 1    6    9   52 o   91.856   9.3972   23.113   4.6405   26.031   6.9920   20.817   6.2038   96.975   13.343   86.737   13.236 10.23834 18.79445 
1 1 1    6    9   53 o   76.879   11.615   16.932   4.6605   20.040   7.0701   14.543   6.1975   83.171   16.314   70.588   16.538 12.58365 23.23022 
1 1 1    6    9   54 o   46.821   12.586  -0.3983   5.3389   11.372   7.9109 -10.2432   7.2351   62.941   20.378   30.702   14.778 32.23921 25.17238 
1 1 1    6    9   55 o  108.698   10.274   33.092   6.0211   36.216   8.8155   30.360   8.2434  113.534   14.369  103.862   14.688 9.672607 20.54781 
1 1 1    6    9   56 o  225.320   6.4747  139.253   7.7016  137.577   9.8655  141.869   12.323  224.016   8.1499  226.625   10.063 -2.609344 12.94946 
1 1 1    6    9   57 o   50.777   12.983   6.6257   4.5992   5.4373   6.7485   7.6564   6.2847   48.772   18.537   52.782   18.183 -4.010277 25.96602 
1 1 1    6    9   58 o   65.781   12.914   13.288   4.8372   10.295   7.1691   15.790   6.5540   59.165   19.413   72.397   17.037 -13.23204 25.82863 
1 1 1    6    9   59 o   52.030   12.539   6.7079   4.7758   0.0222   6.9905   12.560   6.5399   39.950   17.369   64.109   18.090 -24.15845 25.07861 
1 1 1    6    9   60 o  135.983   7.4618   51.371   5.4678   56.788   8.0428   46.716   7.4558  142.664   10.433  129.301   10.671 13.36310 14.92356 
1 1 1    6    9   61 o  220.023   6.0211  134.402   7.1398  124.652   10.167  143.890   10.029  211.895   8.8792  228.151   8.1348 -16.25620 12.04226 
1 1 1    6    9   62 o  105.022   9.6717   31.943   5.4816   33.196   8.0048   30.837   7.5219  106.859   13.863  103.186   13.490 3.672829 19.34335 
1 1 1    6    9   63 o  195.101   6.4819  105.911   6.8067  114.099   10.194   99.324   9.1435  201.722   9.3521  188.479   8.9776 13.24330 12.96381 
1 1 1    6    9   64 o   90.528   12.473   25.483   5.8769   28.027   8.5504   23.205   8.0910   95.147   17.266   85.909   18.005 9.238319 24.94610 
1 1 1    6    9   65 o   91.794   17.912   33.997   9.3887   42.005   13.559   26.622   13.013  104.332   24.473   79.256   26.162 25.07623 35.82424 
1 1 1    6    9   66 o  114.973   14.899   45.277   9.0486   42.838   12.874   47.658   12.720  109.957   22.428  119.988   19.619 -10.03053 29.79761 
1 1 1    6   10    0 o  409.321   5.7649  452.937   12.750  448.111   17.896  457.913   18.170  407.108   8.1348  411.535   8.1707 -4.426941 11.52982 
1 1 1    6   10    1 o  259.815   6.6564  182.471   9.3453   0.0000   0.0000  182.471   9.3453  ?   ?   259.815   6.6564      ?      ? 
1 1 1    6   10    3 o  719.088   8.9544  1398.91   34.782  1421.66   49.989  1377.56   48.426  724.742   12.764  713.433   12.562 11.30939 17.90872 
1 1 1    6   10    5 o  884.500   12.577  2079.31   50.758  2200.00  106.741  2044.05   57.699  899.940   21.950  869.060   12.286 30.88025 25.15449 
1 1 1    6   10    6 o  476.388   6.3962  613.453   16.465   0.0000   0.0000  613.453   16.465  ?   ?   476.388   6.3962      ?      ? 
1 1 1    6   10    7 f  453.373   6.1949  555.602   15.177   0.0000   0.0000  555.602   15.177  ?   ?   453.373   6.1949      ?      ? 
1 1 1    6   10    8 o  626.055   9.6987  1057.09   30.711  1073.42   54.143  1049.34   37.291  629.364   15.920  622.747   11.082 6.617737 19.39741 
1 1 1    6   10    9 o  751.914   11.435  1525.49   43.518  1552.25   76.651  1512.76   52.864  756.345   18.755  747.484   13.088 8.861023 22.87005 
1 1 1    6   10   10 o  1110.68   13.410  3347.38   80.470  3380.80  115.086  3315.41  112.559  1116.07   19.083  1105.29   18.846 10.78381 26.82023 
1 1 1    6   10   11 o  1180.82   20.153  3787.03  128.592   0.0000   0.0000  3787.03  128.592  ?   ?   1180.82   20.153      ?      ? 
1 1 1    6   10   12 o  544.761   7.0630  802.880   20.791  803.850   29.491  801.922   29.316  545.086   10.012  544.436   9.9648 0.6504517 14.12593 
1 1 1    6   10   13 o  675.672   16.936  1238.51   61.835  1238.51   61.835   0.0000   0.0000  675.672   16.936  ?   ?       ?      ? 
1 1 1    6   10   14 o  207.516   6.4442  116.892   7.2014  108.829   10.365  124.414   10.012  200.562   9.5643  214.470   8.6393 -13.90775 12.88847 
1 1 1    6   10   15 o  116.742   7.8264   36.574   4.8824   38.919   7.5792   34.910   6.3834  119.902   11.698  113.582   10.401 6.319946 15.65287 
1 1 1    6   10   16 o  1075.26   18.416  3147.44  106.860  3245.50  156.023  3060.81  146.658  1090.85   26.469  1059.67   25.612 31.17493 36.83195 
1 1 1    6   10   17 f  201.322   6.2672  107.697   6.7414  122.500   10.542   97.455   8.7686  212.814   9.1673  189.830   8.5483 22.98375 12.53443 
1 1 1    6   10   18 o  861.557   14.882  2016.33   69.268  2038.74   99.248  1995.05   96.720  866.187   21.204  856.927   20.887 9.259888 29.76405 
1 1 1    6   10   20 o  197.038   4.6627  104.923   4.9544  105.283   7.2467  104.607   6.7889  197.353   6.7953  196.724   6.3864 0.6291046 9.325300 
1 1 1    6   10   21 f  376.290   5.4815  382.631   11.143  371.623   15.586  394.141   15.937  370.756   7.7794  381.825   7.7244 -11.06931 10.96291 
1 1 1    6   10   22 o  968.915   11.765  2540.66   61.552  2481.75   85.075  2605.38   89.162  957.169   16.449  980.662   16.826 -23.49255 23.52998 
1 1 1    6   10   23 o  1029.28   12.478  2870.07   69.402  2861.06   98.016  2879.13   98.282  1027.66   17.651  1030.90   17.643 -3.241089 24.95628 
1 1 1    6   10   24 o  428.377   12.288  496.396   28.444   0.0000   0.0000  496.396   28.444  ?   ?   428.377   12.288      ?      ? 
1 1 1    6   10   25 o  1329.70   15.952  4792.46  114.543  4698.38  158.597  4895.04  165.607  1316.13   22.300  1343.27   22.815 -27.13940 31.90361 
1 1 1    6   10   26 o  1313.53   19.319  4702.00  129.624  4657.66  222.624  4724.74  159.437  1307.47   31.510  1319.59   22.359 -12.12183 38.63730 
1 1 1    6   10   27 o  725.358   9.0470  1423.54   35.460  1414.81   49.980  1432.39   50.318  723.119   12.791  727.597   12.798 -4.478210 18.09409 
1 1 1    6   10   28 o  878.412   10.754  2088.61   51.039  2065.71   71.448  2112.47   72.936  873.505   15.137  883.318   15.280 -9.813843 21.50860 
1 1 1    6   10   29 f  1487.51   17.798  6008.35  142.966  5884.34  197.898  6143.72  206.763  1471.56   24.887  1503.45   25.450 -31.88708 35.59633 
1 1 1    6   10   30 o  494.667   6.7071  661.612   17.924  667.519   25.667  655.989   25.042  496.818   9.5607  492.516   9.4092 4.302429 13.41421 
1 1 1    6   10   31 o  169.302   5.7789   77.749   5.2701   72.360   7.5671   82.825   7.3440  163.581   8.5607  175.024   7.7652 -11.44276 11.55780 
1 1 1    6   10   32 o  138.561   6.5494   51.796   4.8956   54.116   7.1812   49.782   6.6915  141.450   9.3953  135.673   9.1273 5.777527 13.09878 
1 1 1    6   10   33 o  341.165   7.3904  326.925   12.875  358.242   16.262  274.324   21.076  363.980   8.2684  318.350   12.252 45.62991 14.78080 
1 1 1    6   10   34 o  591.391   11.165  947.962   35.674  958.333   51.049  938.063   49.874  594.539   15.890  588.243   15.690 6.296082 22.33095 
1 1 1    6   10   35 o  704.268   12.798  1346.09   48.704  1337.61   68.568  1354.73   69.193  702.033   18.075  706.502   18.124 -4.468933 25.59673 
1 1 1    6   10   36 o  482.114   8.4007  630.376   20.369  627.027   36.111  631.939   24.668  480.965   13.894  483.264   9.4461 -2.299316 16.80135 
1 1 1    6   10   37 o  545.615   10.271  805.855   30.282   0.0000   0.0000  805.855   30.282  ?   ?   545.615   10.271      ?      ? 
1 1 1    6   10   38 o  293.364   5.5430  232.830   8.7866  230.727   12.436  234.927   12.416  292.039   7.8808  294.690   7.7969 -2.650299 11.08596 
1 1 1    6   10   39 o  299.322   6.5770  242.097   10.182  244.369   17.120  240.853   12.665  300.310   10.550  298.333   7.8566 1.977753 13.15395 
1 1 1    6   10   40 o  402.731   7.2478  445.515   15.225  415.315   24.567  464.345   19.399  391.331   11.618  414.130   8.6688 -22.79907 14.49558 
1 1 1    6   10   41 o  259.721   6.3238  181.959   8.6520  179.383   11.029  186.081   13.952  257.411   7.9288  262.030   9.8538 -4.619263 12.64766 
1 1 1    6   10   42 o  453.953   6.4822  558.298   15.896  569.858   22.837  547.434   22.139  458.500   9.2175  449.405   9.1166 9.095245 12.96435 
1 1 1    6   10   43 o  279.429   5.4476  211.525   8.2250  210.553   11.684  212.480   11.580  278.788   7.7559  280.070   7.6519 -1.282593 10.89526 
1 1 1    6   10   44 o  277.051   5.4450  208.016   8.1517  207.047   11.513  208.990   11.544  276.404   7.7080  277.699   7.6929 -1.295410 10.89008 
1 1 1    6   10   45 o  133.572   7.2750   48.758   5.2246   44.216   7.5055   53.028   7.2772  127.455   10.898  139.690   9.6407 -12.23572 14.55002 
1 1 1    6   10   46 o  320.532   5.5734  278.746   9.6520  275.419   13.705  282.019   13.596  318.622   7.9601  322.443   7.8029 -3.820923 11.14674 
1 1 1    6   10   47 o   71.146   12.190   14.290   4.7160   19.290   6.9614   10.049   6.4114   82.307   16.229   59.986   18.194 22.32091 24.38051 
1 1 1    6   10   48 o  208.989   5.6422  118.552   6.3666  121.999   9.2326  115.427   8.7911  211.869   8.0643  206.109   7.8933 5.759964 11.28441 
1 1 1    6   10   49 o  233.705   5.5402  147.889   6.9823  160.709   10.230  136.708   9.5540  243.159   7.7854  224.251   7.8843 18.90837 11.08033 
1 1 1    6   10   50 o   42.439   12.032   1.3202   4.5388  -3.7936   6.5847   5.9492   6.2649   34.922   15.894   49.955   18.067 -15.03307 24.06320 
1 1 1    6   10   51 o  163.194   6.3182   72.293   5.5529   80.907   8.1922   64.970   7.5528  172.160   8.8060  154.229   9.0626 17.93121 12.63631 
1 1 1    6   10   52 o  225.447   6.6940  138.853   7.8304  140.023   13.057  138.195   9.7855  225.786   10.702  225.108   8.0445 0.6775055 13.38800 
1 1 1    6   10   53 o  197.461   7.3599  106.578   7.8279  116.329   11.643   98.536   10.574  205.627   10.479  189.295   10.338 16.33250 14.71976 
1 1 1    6   10   54 o  254.299   7.1892  177.205   9.8481  189.257   14.652  167.275   13.300  262.060   10.347  246.538   9.9837 15.52197 14.37831 
1 1 1    6   10   55 o  334.842   5.7601  307.002   10.414  311.689   15.065  302.711   14.413  337.218   8.2673  332.465   8.0227 4.753815 11.52012 
1 1 1    6   10   56 o  143.549   7.0119   56.703   5.4253   62.655   7.9191   51.439   7.4476  150.681   9.7259  136.417   10.103 14.26395 14.02385 
1 1 1    6   10   57 o   57.758   13.265   9.7464   4.7567   8.6995   6.9110   10.689   6.5571   55.577   19.072   59.939   18.443 -4.361874 26.53032 
1 1 1    6   10   58 o  108.040   8.8242   32.812   5.1326   36.939   7.4695   29.120   7.0645  114.605   12.061  101.475   12.884 13.13047 17.64835 
1 1 1    6   10   59 o  100.225   9.6561   28.723   5.2096   27.542   7.5961   29.773   7.1585   98.000   14.344  102.449   12.931 -4.449265 19.31216 
1 1 1    6   10   60 o  183.988   6.3708   94.096   6.3183   90.195   9.1314   97.679   8.7516  180.120   9.3818  187.856   8.6214 -7.735107 12.74154 
1 1 1    6   10   61 o  114.117   9.2000   37.321   5.6538   37.067   8.3208   37.540   7.7059  113.471   13.570  114.763   12.426 -1.292488 18.39997 
1 1 1    6   10   62 o   39.283   12.051  -3.6960   5.2780   6.4586   7.8237 -12.1774   7.1501   50.343   19.739   28.223   13.832 22.12001 24.10287 
1 1 1    6   10   63 o  119.774   9.2361   41.472   5.9669   41.585   8.7013   41.371   8.1981  119.689   13.454  119.859   12.658 -0.1702957 18.47219 
1 1 1    6   10   64 o   44.494   12.660  -3.0217   5.8315   12.431   8.5535 -16.4422   7.9712   61.099   21.203   27.888   13.840 33.21143 25.32024 
1 1 1    6   10   65 o   59.988   16.994   12.187   8.5949   15.993   11.560   7.4820   12.853   65.161   24.371   54.815   23.691 10.34631 33.98862 
1 1 1    6   10   66 o  112.389   15.961   46.110   9.5029   59.662   14.088   34.797   12.872  131.773   19.786   93.005   25.052 38.76778 31.92253 
1 1 1    6   11    0 o  821.751   14.295  1828.90   63.475   0.0000   0.0000  1828.90   63.475  ?   ?   821.751   14.295      ?      ? 
1 1 1    6   11    1 o  342.802   5.3044  316.740   9.8085  334.213   14.404  301.631   13.394  351.588   7.5814  334.016   7.4209 17.57242 10.60881 
1 1 1    6   11    3 o  521.493   6.8784  735.446   19.379  743.785   27.733  727.489   27.092  524.377   9.7873  518.608   9.6673 5.769226 13.75675 
1 1 1    6   11    4 o  648.317   9.5079  1116.42   28.364  1179.73   58.921  1097.32   32.360  659.687   16.529  636.948   9.4019 22.73853 19.01571 
1 1 1    6   11    5 o  396.053   6.6505  424.035   14.233   0.0000   0.0000  424.035   14.233  ?   ?   396.053   6.6505      ?      ? 
1 1 1    6   11    6 o  847.019   11.981  1941.90   54.838   0.0000   0.0000  1941.90   54.838  ?   ?   847.019   11.981      ?      ? 
1 1 1    6   11    7 o  955.451   13.422  2472.16   69.299   0.0000   0.0000  2472.16   69.299  ?   ?   955.451   13.422      ?      ? 
1 1 1    6   11    8 o  632.067   11.282  1081.21   38.532   0.0000   0.0000  1081.21   38.532  ?   ?   632.067   11.282      ?      ? 
1 1 1    6   11   10 o  846.520   14.743  1944.03   67.322  2014.41   98.742  1882.88   92.028  860.713   21.230  832.327   20.462 28.38611 29.48562 
1 1 1    6   11   11 o  731.356   12.899  1452.14   50.973  1459.91   72.636  1444.59   71.550  733.267   18.332  729.446   18.152 3.821350 25.79818 
1 1 1    6   11   12 o  1017.64   17.519  2823.06   96.334  2835.58  137.006  2810.81  135.480  1019.84   24.861  1015.44   24.691 4.402649 35.03855 
1 1 1    6   11   13 o  178.092   7.1996   86.290   6.8169   67.477   9.4895  106.351   9.7992  157.898   11.122  198.285   9.1456 -40.38693 14.39921 
1 1 1    6   11   14 o  194.152   9.1445  101.959   9.5938   0.0000   0.0000  101.959   9.5938  ?   ?   194.152   9.1445      ?      ? 
1 1 1    6   11   16 o  751.168   9.3202  1527.89   37.831  1527.66   53.561  1528.11   53.441  751.111   13.196  751.226   13.165 -0.1152344 18.64030 
1 1 1    6   11   20 o  149.307   5.4447   60.263   4.3672   60.291   6.5390   60.240   5.8678  149.334   8.1034  149.280   7.2742 0.5406189E-01 10.88939 
1 1 1    6   11   22 o  689.164   8.6442  1284.78   32.191  1278.39   45.420  1291.23   45.630  687.441   12.227  690.887   12.222 -3.445557 17.28832 
1 1 1    6   11   23 o  991.247   14.816  2656.53   74.436  2642.96   90.610  2684.69  130.539  987.944   16.973  994.550   24.290 -6.606445 29.63242 
1 1 1    6   11   24 o  802.638   12.207  1743.35   49.810  1740.51   60.858  1749.10   86.693  801.977   14.043  803.298   19.972 -1.320374 24.41492 
1 1 1    6   11   25 o  471.014   7.9927  598.286   18.930  604.955   33.714  595.216   22.877  472.831   13.195  469.197   9.0232 3.633667 15.98545 
1 1 1    6   11   26 o  1195.28   14.389  3873.90   92.932  3848.96  130.668  3899.43  132.197  1191.40   20.297  1199.17   20.401 -7.764282 28.77779 
1 1 1    6   11   27 o  536.416   7.1225  777.478   20.635  757.524   28.642  799.015   29.755  529.268   10.015  543.563   10.130 -14.29572 14.24491 
1 1 1    6   11   28 o  813.082   10.044  1789.32   44.125  1770.82   61.854  1808.48   62.965  808.809   14.153  817.355   14.256 -8.545654 20.08812 
1 1 1    6   11   29 o  416.686   6.0324  469.542   13.581  462.803   19.270  476.192   19.143  413.711   8.6197  419.660   8.4416 -5.948608 12.06481 
1 1 1    6   11   30 o  369.609   5.7310  368.996   11.439  351.657   15.908  387.561   16.461  360.626   8.1632  378.593   8.0462 -17.96707 11.46204 
1 1 1    6   11   31 o  260.473   7.1825  186.427   9.3161  191.233   11.258  175.991   16.591  265.946   7.8342  255.000   12.041 10.94547 14.36508 
1 1 1    6   11   32 o  321.821   8.5268  274.903   14.672  243.243   19.138  320.045   22.852  299.790   11.814  343.852   12.299 -44.06155 17.05368 
1 1 1    6   11   33 o  508.959   10.128  700.817   27.827  679.730   38.327  724.324   40.466  500.890   14.160  517.027   14.484 -16.13702 20.25611 
1 1 1    6   11   34 o  572.974   10.989  889.952   34.024  892.793   48.334  887.162   47.903  573.874   15.587  572.073   15.496 1.801392 21.97886 
1 1 1    6   11   35 o  219.822   8.0717  130.699   9.5879   0.0000   0.0000  130.699   9.5879  ?   ?   219.822   8.0717      ?      ? 
1 1 1    6   11   36 o  684.152   8.7205  1267.87   32.236  1250.14   45.212  1286.21   45.975  679.289   12.317  689.015   12.348 -9.725647 17.44108 
1 1 1    6   11   37 o  235.012   5.7850  149.702   7.3329  142.526   10.517  156.493   10.230  229.509   8.4799  240.516   7.8712 -11.00691 11.56995 
1 1 1    6   11   38 o  562.037   7.4676  855.416   22.672  836.542   31.581  875.492   32.569  555.649   10.518  568.424   10.604 -12.77551 14.93527 
1 1 1    6   11   39 o  277.461   5.5832  208.478   8.3651  204.271   11.978  212.483   11.687  274.716   8.0690  280.205   7.7187 -5.488800 11.16638 
1 1 1    6   11   40 o  514.548   8.4861  724.936   22.586  695.946   37.469  741.480   28.306  506.047   13.702  523.049   10.015 -17.00208 16.97211 
1 1 1    6   11   41 o  424.820   6.2779  488.246   14.399  469.274   19.863  509.255   20.902  416.144   8.8332  433.496   8.9232 -17.35190 12.55580 
1 1 1    6   11   42 o  216.665   6.3520  125.379   7.3189  117.312   9.4213  137.658   11.623  208.056   8.3800  225.275   9.5480 -17.21873 12.70392 
1 1 1    6   11   43 o  342.692   5.7072  318.336   10.568  314.242   14.939  322.435   14.951  340.480   8.1200  344.904   8.0222 -4.423645 11.41445 
1 1 1    6   11   44 o  158.666   6.5680   68.900   5.5820   59.464   7.9894   77.899   7.8022  147.906   9.9963  169.426   8.5222 -21.52074 13.13598 
1 1 1    6   11   45 o  126.463   7.5289   43.539   5.1297   43.323   7.5404   43.725   6.9988  126.134   11.063  126.791   10.215 -0.6569977 15.05789 
1 1 1    6   11   46 o  255.870   5.5632  177.810   7.6861  170.864   10.913  184.646   10.827  250.881   8.0499  260.858   7.6810 -9.977188 11.12650 
1 1 1    6   11   47 o  201.079   5.8381  109.911   6.3267  109.707   9.2851  110.088   8.6440  200.860   8.5547  201.297   7.9467 -0.4369049 11.67618 
1 1 1    6   11   48 o  243.966   5.5553  161.730   7.3211  163.331   10.514  160.224   10.200  245.122   7.9376  242.810   7.7743 2.312012 11.11062 
1 1 1    6   11   49 f  194.301   5.9060  102.316   6.1874  110.944   9.0999   94.897   8.4381  201.888   8.3414  186.714   8.3633 15.17458 11.81203 
1 1 1    6   11   50 o  239.111   6.5487  154.178   8.0421  162.590   13.861  149.909   9.8740  243.583   10.531  234.639   7.7877 8.944443 13.09741 
1 1 1    6   11   51 o  124.650   9.7206   43.254   6.4985   41.667   9.6928   44.550   8.7585  122.343   14.662  126.957   12.767 -4.614059 19.44110 
1 1 1    6   11   52 o  117.737   10.361   39.237   6.4620   35.518   9.8704   42.027   8.5487  112.343   16.259  123.131   12.848 -10.78802 20.72298 
1 1 1    6   11   53 o  341.689   6.7721  322.129   12.178  327.115   15.626  314.414   19.436  345.742   8.3640  337.635   10.653 8.106903 13.54416 
1 1 1    6   11   54 o   88.136   10.769   22.261   4.9276   28.637   7.2121   16.678   6.7483  101.206   13.188   75.065   17.028 26.14090 21.53757 
1 1 1    6   11   55 o  283.392   5.6175  219.908   8.5909  222.465   12.508  217.624   11.820  284.860   8.1258  281.924   7.7587 2.935547 11.23509 
1 1 1    6   11   56 o  131.820   7.6321   47.914   5.4065   55.542   8.0013   41.506   7.3342  141.511   10.464  122.128   11.113 19.38313 15.26412 
1 1 1    6   11   57 o   41.153   12.312   0.9867   4.7566   3.1402   6.9546  -0.9062   6.5202   44.760   18.244   37.547   16.537 7.212223 24.62333 
1 1 1    6   11   58 o   67.225   12.336   14.164   5.0370   5.3051   7.4867   21.490   6.8083   49.260   19.311   85.190   15.355 -35.92947 24.67112 
1 1 1    6   11   59 o  127.430   8.1925   44.806   5.5834   54.565   8.5512   37.553   7.3717  139.399   11.352  115.462   11.815 23.93678 16.38509 
1 1 1    6   11   60 o  202.051   6.4040  114.173   6.9405  105.775   10.198  121.420   9.4730  194.675   9.6941  209.428   8.3708 -14.75359 12.80805 
1 1 1    6   11   61 o  142.254   7.9788   57.507   6.0990   57.728   9.1150   57.328   8.2069  142.126   11.868  142.382   10.667 -0.2552338 15.95754 
1 1 1    6   11   62 o   94.642   11.618   27.293   5.7501   27.072   8.6989   27.464   7.6631   92.820   17.993   96.464   14.701 -3.643318 23.23511 
1 1 1    6   11   63 f  190.653   7.0753  102.315   7.2611  102.715   10.751  101.980   9.8464  190.657   10.435  190.649   9.5577 0.8453369E-02 14.15056 
1 1 1    6   11   64 o   51.655   15.451   2.2904   7.0614  -4.3288   8.3577   18.804   13.201   36.213   16.972   67.096   25.824 -30.88276 30.90182 
1 1 1    6   11   65 o  176.000   11.533   96.836   10.960  100.676   15.521   93.018   15.479  179.988   15.959  172.011   16.653 7.977066 23.06543 
1 1 1    6   12    0 o  853.865   14.810  1981.29   68.331  1985.81   96.836  1976.80   96.436  854.830   20.964  852.898   20.924 1.931946 29.61935 
1 1 1    6   12    1 o  599.843   10.791  974.746   34.968  990.991   50.221  959.459   48.717  604.679   15.370  595.008   15.152 9.671387 21.58293 
1 1 1    6   12    2 o  448.793   8.5776  543.873   20.765  522.973   28.363  568.018   30.485  439.538   11.942  458.048   12.317 -18.51044 17.15523 
1 1 1    6   12    3 o  743.865   13.031  1501.89   52.380  1497.75   73.827  1506.08   74.329  742.840   18.392  744.890   18.466 -2.049866 26.06273 
1 1 1    6   12    4 o  471.957   8.8895  602.951   22.665  595.495   31.639  610.811   32.485  468.968   12.485  474.946   12.658 -5.978210 17.77904 
1 1 1    6   12    5 o  596.602   10.847  963.269   34.968   0.0000   0.0000  963.269   34.968  ?   ?   596.602   10.847      ?      ? 
1 1 1    6   12    6 o  580.072   10.595  910.601   33.211   0.0000   0.0000  910.601   33.211  ?   ?   580.072   10.595      ?      ? 
1 1 1    6   12    7 o  357.889   6.4493  346.275   12.472   0.0000   0.0000  346.275   12.472  ?   ?   357.889   6.4493      ?      ? 
1 1 1    6   12    8 o  325.373   6.1334  286.195   10.784   0.0000   0.0000  286.195   10.784  ?   ?   325.373   6.1334      ?      ? 
1 1 1    6   12    9 o  102.328   7.7536   26.156   3.7002   32.748   7.8171   24.253   4.2006  109.957   13.156   94.699   8.2089 15.25806 15.50726 
1 1 1    6   12   13 o  231.322   4.9932  144.466   6.2366  149.884   9.0389  139.542   8.6160  235.455   7.1043  227.188   7.0183 8.266556 9.986382 
1 1 1    6   12   17 o  844.896   10.414  1932.85   47.542  1919.21   66.811  1946.84   67.667  841.883   14.686  847.910   14.769 -6.027588 20.82784 
1 1 1    6   12   18 o  686.298   8.6443  1274.29   32.054  1283.51   45.753  1265.41   44.919  688.730   12.294  683.866   12.156 4.863770 17.28856 
1 1 1    6   12   19 f  442.028   8.7034  528.270   20.789   0.0000   0.0000  528.270   20.789  ?   ?   442.028   8.7034      ?      ? 
1 1 1    6   12   21 o  427.631   8.5099  494.358   19.664   0.0000   0.0000  494.358   19.664  ?   ?   427.631   8.5099      ?      ? 
1 1 1    6   12   22 o  417.852   12.206  472.297   27.560   0.0000   0.0000  472.297   27.560  ?   ?   417.852   12.206      ?      ? 
1 1 1    6   12   23 o  936.552   14.253  2314.35   65.641  2229.51   77.407  2531.53  123.851  907.438   15.786  965.665   23.735 -58.22675 28.50521 
1 1 1    6   12   24 o  806.698   12.342  1740.33   49.676  1821.62   90.475  1705.25   59.436  819.614   20.428  793.781   13.857 25.83337 24.68451 
1 1 1    6   12   25 o  1093.25   16.257  3241.58   90.285  3252.25  157.319  3236.34  110.248  1093.73   26.619  1092.77   18.670 0.9514160 32.51351 
1 1 1    6   12   26 o  563.378   10.423  858.391   31.731   0.0000   0.0000  858.391   31.731  ?   ?   563.378   10.423      ?      ? 
1 1 1    6   12   27 o  371.742   8.0239  373.609   16.118   0.0000   0.0000  373.609   16.118  ?   ?   371.742   8.0239      ?      ? 
1 1 1    6   12   28 o  888.029   10.926  2136.32   52.430  2126.56   74.039  2146.13   74.255  885.993   15.465  890.065   15.439 -4.071899 21.85217 
1 1 1    6   12   29 o  648.853   10.319  1138.95   33.978  1136.08   41.434  1144.82   59.370  647.898   11.835  649.808   16.908 -1.910339 20.63858 
1 1 1    6   12   30 o   87.337   17.170   21.425   8.4316   23.716   11.601   18.860   12.276   91.649   23.357   83.024   25.175 8.624725 34.34085 
1 1 1    6   12   31 o  384.437   8.8830  400.118   18.453  401.577   26.047  398.649   26.146  385.143   12.515  383.731   12.609 1.412415 17.76607 
1 1 1    6   12   32 o  863.023   15.240  2024.49   71.054  1995.49   99.083  2055.18  101.948  856.703   21.403  869.343   21.702 -12.64081 30.48077 
1 1 1    6   12   33 o  560.575   9.3232  839.408   25.975  880.856   47.667  821.902   30.979  570.024   15.475  551.125   10.402 18.89813 18.64637 
1 1 1    6   12   34 o  719.370   9.0974  1400.97   35.345  1367.53   49.011  1437.21   51.020  710.448   12.767  728.292   12.964 -17.84412 18.19486 
1 1 1    6   12   35 o  547.636   7.3464  811.714   21.738  798.654   30.498  825.200   30.991  543.159   10.391  552.113   10.388 -8.953308 14.69283 
1 1 1    6   12   36 o  468.045   6.6512  592.011   16.808  568.940   23.202  617.487   24.381  458.468   9.3654  477.621   9.4468 -19.15234 13.30234 
1 1 1    6   12   37 o  304.651   5.6907  251.311   9.3598  238.741   13.222  263.937   13.251  296.999   8.2387  312.304   7.8523 -15.30420 11.38131 
1 1 1    6   12   38 o  620.748   8.0679  1043.80   27.047  1014.97   37.473  1075.15   39.077  611.825   11.335  629.671   11.485 -17.84619 16.13588 
1 1 1    6   12   39 o  276.158   5.5829  206.359   8.3211  208.235   12.093  204.672   11.467  277.338   8.0693  274.978   7.7176 2.359497 11.16581 
1 1 1    6   12   40 o  190.934   6.1870   98.697   6.3282   99.416   9.6172   98.148   8.4038  191.511   9.2933  190.356   8.1700 1.155136 12.37390 
1 1 1    6   12   41 o  117.985   9.3298   35.904   5.6657   44.459   10.002   31.861   6.8753  127.701   14.494  108.270   11.751 19.43038 18.65951 
1 1 1    6   12   42 o  194.372   6.7085  101.733   6.9876   96.756   9.2146  108.468   10.719  188.861   9.0292  199.883   9.9241 -11.02142 13.41693 
1 1 1    6   12   43 o  426.156   7.3914  497.470   16.510  509.362   21.080  478.604   26.551  433.147   9.0065  419.165   11.722 13.98199 14.78276 
1 1 1    6   12   44 o  191.993   6.0702  100.238   6.2864   95.751   9.0233  104.469   8.7629  187.779   8.8927  196.208   8.2650 -8.429855 12.14041 
1 1 1    6   12   45 o  199.925   5.9439  108.096   6.4082  116.336   9.4233  101.008   8.7404  206.981   8.4253  192.868   8.3865 14.11247 11.88773 
1 1 1    6   12   46 o  361.654   5.8607  355.482   11.453  351.267   16.207  359.685   16.186  359.499   8.3429  363.809   8.2332 -4.310242 11.72134 
1 1 1    6   12   47 o  238.872   5.6414  155.118   7.2792  149.952   10.266  160.342   10.323  234.851   8.0894  242.892   7.8652 -8.041016 11.28272 
1 1 1    6   12   48 o   48.312   13.094   4.3852   4.7697   6.2713   7.2739   2.9625   6.3174   52.489   19.392   44.136   17.599 8.352276 26.18724 
1 1 1    6   12   49 o  205.938   7.6940  116.834   8.4551  112.387   12.878  120.203   11.209  202.219   11.785  209.656   9.8943 -7.437485 15.38807 
1 1 1    6   12   50 o   92.924   12.942   26.177   6.2245   17.732   9.4281   32.703   8.2873   77.322   21.686  108.526   14.132 -31.20363 25.88432 
1 1 1    6   12   51 o   81.909   12.711   19.741   5.4710   21.071   7.5949   18.306   7.8878   85.072   17.114   78.746   18.797 6.326279 25.42131 
1 1 1    6   12   52 o  238.653   5.7297  155.617   7.3767  156.907   10.766  154.475   10.128  239.511   8.3182  237.796   7.8820 1.714966 11.45940 
1 1 1    6   12   53 o  131.784   7.6424   48.327   5.3968   44.343   7.9407   51.746   7.3570  126.474   11.619  137.094   9.9311 -10.61948 15.28486 
1 1 1    6   12   54 o  105.387   9.1158   31.048   5.1845   33.330   7.4981   28.958   7.1764  109.141   12.714  101.633   13.067 7.507118 18.23169 
1 1 1    6   12   55 o   55.562   13.437   8.5577   5.0014   5.2340   7.5637   11.140   6.6669   49.870   19.448   61.254   18.548 -11.38399 26.87459 
1 1 1    6   12   56 o  272.112   5.7230  202.945   8.3980  211.936   12.363  195.242   11.443  277.608   8.2416  266.616   7.9429 10.99106 11.44609 
1 1 1    6   12   57 o  254.687   5.7913  178.436   7.9533  182.288   11.683  175.109   10.857  257.113   8.4092  252.262   7.9651 4.851456 11.58262 
1 1 1    6   12   58 o   79.225   11.624   20.260   5.3473   5.1207   7.8239   33.530   7.3251   49.529   19.637  108.921   12.445 -59.39261 23.24895 
1 1 1    6   12   59 o  254.728   5.9806  179.337   8.2094  183.224   12.118  176.041   11.160  257.081   8.7235  252.376   8.1836 4.704224 11.96119 
1 1 1    6   12   60 o   99.359   10.422   28.921   5.5684   26.909   8.0578   30.760   7.7038   95.596   15.599  103.123   13.825 -7.527077 20.84347 
1 1 1    6   12   61 o  163.409   7.2511   75.321   6.3917   79.432   9.3827   71.762   8.7310  167.475   10.368  159.343   10.140 8.131592 14.50223 
1 1 1    6   12   62 o  171.118   10.975   82.992   10.149   82.992   10.149   0.0000   0.0000  171.118   10.975  ?   ?       ?      ? 
1 1 1    6   12   63 o   77.574   13.884   20.315   5.9618   27.005   8.7885   14.613   8.1143   90.363   18.618   64.785   20.603 25.57807 27.76894 
1 1 1    6   12   64 o  133.798   12.019   55.653   8.1615   54.046   9.9698   58.919   14.210  134.247   13.743  133.349   19.721 0.8974152 24.03712 
1 1 1    6   12   65 o   57.056   16.859   7.9504   9.4040   22.453   13.971  -4.0631   12.716   70.523   26.704   43.588   20.585 26.93487 33.71703 
1 1 1    6   13    0 o  154.520   5.5225   64.557   4.6104   65.118   6.5889   64.019   6.4534  155.176   7.8578  153.864   7.7619 1.312790 11.04497 
1 1 1    6   13    3 o  920.559   11.286  2297.69   56.135  2281.48   78.851  2314.35   79.936  917.277   15.908  923.841   16.012 -6.563660 22.57126 
1 1 1    6   13    4 o  440.874   7.3870  524.987   16.578  528.829   28.809  523.084   20.271  441.966   12.063  439.781   8.5300 2.184448 14.77394 
1 1 1    6   13    5 o   82.163   9.4830   18.262   4.2103   0.0000   0.0000   18.262   4.2103  ?   ?    82.163   9.4830      ?      ? 
1 1 1    6   13    6 o  525.753   7.0650  747.333   20.072   0.0000   0.0000  747.333   20.072  ?   ?   525.753   7.0650      ?      ? 
1 1 1    6   13    7 o  425.926   8.8851  490.659   20.450   0.0000   0.0000  490.659   20.450  ?   ?   425.926   8.8851      ?      ? 
1 1 1    6   13    8 o  477.872   9.1159  617.668   23.540   0.0000   0.0000  617.668   23.540  ?   ?   477.872   9.1159      ?      ? 
1 1 1    6   13    9 o  381.500   6.8120  397.295   13.319  382.207   22.559  405.369   16.502  375.813   11.109  387.187   7.8875 -11.37381 13.62397 
1 1 1    6   13   10 o  447.390   7.1579  544.286   15.069  535.811   29.763  547.207   17.474  444.892   12.380  449.888   7.1878 -4.996063 14.31575 
1 1 1    6   13   12 o  437.705   6.1908  516.964   14.623  497.079   20.062  539.504   21.360  428.748   8.6594  446.661   8.8497 -17.91330 12.38156 
1 1 1    6   13   13 o  268.549   7.3048  194.963   10.600   0.0000   0.0000  194.963   10.600  ?   ?   268.549   7.3048      ?      ? 
1 1 1    6   13   14 o  367.549   5.6404  365.240   11.202  363.617   15.854  366.859   15.831  366.732   8.0002  368.366   7.9532 -1.633179 11.28085 
1 1 1    6   13   15 f  547.942   7.2435  812.033   21.447  806.655   30.241  817.476   30.421  546.117   10.248  549.767   10.240 -3.650940 14.48704 
1 1 1    6   13   16 o  708.163   8.8996  1356.87   34.053  1366.77   48.534  1347.26   47.791  710.704   12.638  705.621   12.534 5.082764 17.79930 
1 1 1    6   13   17 o  1107.04   13.427  3321.34   80.312  3347.29  114.661  3296.35  112.525  1111.27   19.095  1102.82   18.882 8.449097 26.85412 
1 1 1    6   13   18 o  671.568   8.5216  1219.99   30.924  1216.46   43.740  1223.53   43.726  670.593   12.071  672.544   12.032 -1.950317 17.04321 
1 1 1    6   13   19 o  157.280   6.0574   66.632   5.1368   70.489   7.5781   63.353   6.9869  161.475   8.6849  153.085   8.4462 8.389603 12.11470 
1 1 1    6   13   21 o  688.966   17.513  1285.81   65.200   0.0000   0.0000  1285.81   65.200  ?   ?   688.966   17.513      ?      ? 
1 1 1    6   13   22 o  584.188   9.4249  917.748   27.810  907.508   33.692  939.640   49.261  579.264   10.764  589.113   15.474 -9.848511 18.84974 
1 1 1    6   13   23 o  683.518   10.641  1263.70   36.899  1268.02   64.482  1261.59   44.994  684.152   17.442  682.883   12.193 1.268372 21.28150 
1 1 1    6   13   24 o  971.576   14.614  2539.16   71.334  2617.12  127.805  2503.89   85.972  981.655   24.093  961.497   16.547 20.15808 29.22844 
1 1 1    6   13   25 o  518.728   9.8773  727.681   27.686   0.0000   0.0000  727.681   27.686  ?   ?   518.728   9.8773      ?      ? 
1 1 1    6   13   26 o  407.259   12.593  448.874   27.712   0.0000   0.0000  448.874   27.712  ?   ?   407.259   12.593      ?      ? 
1 1 1    6   13   27 o  378.036   8.6511  386.849   17.670  392.117   24.930  381.531   25.049  380.628   12.121  375.443   12.347 5.185211 17.30217 
1 1 1    6   13   28 o  299.021   8.3317  242.166   13.450  253.378   18.980  230.856   19.062  305.992   11.479  292.051   12.079 13.94101 16.66340 
1 1 1    6   13   29 o  240.421   8.8223  155.670   11.432  144.797   15.516  168.581   16.908  231.286   12.415  249.555   12.538 -18.26863 17.64455 
1 1 1    6   13   30 o  501.205   10.110  680.098   27.366  667.793   37.922  693.468   39.530  496.494   14.135  505.917   14.460 -9.423462 20.22074 
1 1 1    6   13   31 o  733.391   11.349  1474.96   42.959  1400.68   71.406  1517.09   53.779  718.350   18.395  748.432   13.298 -30.08234 22.69851 
1 1 1    6   13   32 o  305.645   8.0046  252.640   13.220   0.0000   0.0000  252.640   13.220  ?   ?   305.645   8.0046      ?      ? 
1 1 1    6   13   33 o  517.089   7.0869  723.366   19.797  705.137   27.657  742.523   28.352  510.410   10.028  523.767   10.017 -13.35703 14.17388 
1 1 1    6   13   34 o  756.759   9.5186  1549.18   38.869  1494.58   53.276  1611.32   56.835  742.566   13.277  770.951   13.643 -28.38477 19.03712 
1 1 1    6   13   35 o  409.681   6.2747  454.328   13.887  450.478   19.812  458.048   19.472  407.966   8.9868  411.397   8.7592 -3.431824 12.54938 
1 1 1    6   13   36 o  166.373   7.0588   77.426   6.1411   59.409   9.1239   92.350   8.3037  148.034   11.406  184.713   8.3193 -36.67970 14.11756 
1 1 1    6   13   37 o  401.842   6.1287  436.997   13.303  420.621   18.613  454.099   19.020  394.142   8.7393  409.542   8.5947 -15.39932 12.25741 
1 1 1    6   13   38 o  587.182   10.913  935.053   34.626   0.0000   0.0000  935.053   34.626  ?   ?   587.182   10.913      ?      ? 
1 1 1    6   13   39 o   44.084   12.852   1.2066   4.9223   3.5929   7.6414  -0.4857   6.4352   49.000   19.413   39.168   16.846 9.831497 25.70338 
1 1 1    6   13   40 o  265.597   5.6291  190.934   8.0666  194.283   11.780  187.976   11.069  267.772   8.1412  263.423   7.7762 4.349365 11.25827 
1 1 1    6   13   41 o  148.828   8.7005   64.652   6.3908   48.086   10.705   73.825   7.9661  132.680   14.931  164.976   8.9358 -32.29594 17.40093 
1 1 1    6   13   42 o  534.098   8.7653  788.277   24.381  736.261   39.483  820.336   30.997  518.961   14.080  549.236   10.444 -30.27490 17.53051 
1 1 1    6   13   43 o  186.159   6.8405   94.247   6.8514   94.784   9.2836   93.604   10.153  186.796   9.1973  185.522   10.128 1.273300 13.68095 
1 1 1    6   13   44 o  370.842   6.0050  373.290   12.031  363.359   16.817  383.701   17.218  365.788   8.5080  375.895   8.4767 -10.10648 12.01001 
1 1 1    6   13   45 o  269.913   5.6420  197.782   8.2205  200.381   11.931  195.432   11.343  271.572   8.1301  268.253   7.8249 3.319214 11.28398 
1 1 1    6   13   46 o  194.984   6.0450  103.515   6.3547  102.144   9.2708  104.731   8.7275  193.715   8.8566  196.252   8.2297 -2.536789 12.08998 
1 1 1    6   13   47 o  253.029   7.3561  175.199   9.9955  172.207   14.919  177.635   13.464  250.900   11.004  255.159   9.7654 -4.258011 14.71219 
1 1 1    6   13   48 o  131.388   10.059   47.852   6.9053   47.500   11.272   48.063   8.7367  130.592   15.973  132.185   12.231 -1.592880 20.11833 
1 1 1    6   13   49 o  115.443   12.117   41.132   6.7300   24.842   10.236   53.536   8.9321   91.460   21.136  139.427   11.855 -47.96719 24.23353 
1 1 1    6   13   50 o   76.261   12.554   17.570   5.0872   13.481   7.8230   20.566   6.6964   67.886   19.983   84.636   15.201 -16.74975 25.10771 
1 1 1    6   13   51 f  190.777   6.1813   98.448   6.3334  111.799   9.6076   88.188   8.4225  202.061   8.7992  179.492   8.6837 22.56958 12.36255 
1 1 1    6   13   52 o  190.657   6.2484   99.665   6.4086   99.651   9.5199   99.677   8.6664  190.512   9.2475  190.802   8.4056 -0.2897797 12.49676 
1 1 1    6   13   53 o  167.734   6.6967   77.325   6.0317   78.966   9.0903   76.034   8.0622  169.156   9.9450  166.311   8.9711 2.844421 13.39341 
1 1 1    6   13   54 o   99.770   9.9347   27.764   5.2984   30.401   8.2414   25.905   6.9174  103.547   14.729   95.993   13.336 7.554108 19.86935 
1 1 1    6   13   55 o  170.708   6.7453   80.215   6.1859   83.799   9.3418   77.417   8.2551  173.921   9.9401  167.495   9.1208 6.425888 13.49057 
1 1 1    6   13   56 o  141.680   7.6261   56.114   5.8115   54.950   8.5851   57.098   7.8954  140.083   11.342  143.278   10.198 -3.194733 15.25215 
1 1 1    6   13   57 o   38.153   12.007  -2.1649   5.1424  -6.3898   7.6331   1.3463   6.9585   34.565   16.206   41.741   17.722 -7.175705 24.01489 
1 1 1    6   13   58 o   43.669   13.083   1.7671   5.3806   0.0405   7.8872   3.2702   7.3588   41.965   18.342   45.372   18.661 -3.407677 26.16630 
1 1 1    6   13   59 o  108.704   9.8558   34.099   5.7748   34.496   8.4859   33.757   7.8812  109.057   14.400  108.351   13.461 0.7054520 19.71151 
1 1 1    6   13   60 o  101.412   10.955   30.540   5.7475   39.566   8.6518   23.411   7.6895  116.211   13.778   86.613   17.037 29.59776 21.91042 
1 1 1    6   13   61 o   40.958   12.882  -2.7782   5.8423   4.2530   9.0225  -7.8548   7.6666   49.038   20.459   32.877   15.659 16.16151 25.76383 
1 1 1    6   13   62 o  313.105   6.2566  274.349   10.575  280.144   15.361  269.128   14.581  316.060   8.9939  310.149   8.6999 5.911377 12.51313 
1 1 1    6   13   63 o  193.139   7.3589  107.900   7.6731  102.516   10.819  113.350   10.884  187.989   10.651  198.289   10.158 -10.29948 14.71789 
1 1 1    6   13   64 o  166.775   11.808   88.761   10.637   85.766   14.905   91.869   15.186  163.671   16.853  169.879   16.543 -6.208282 23.61561 
1 1 1    6   14    0 o  1084.85   18.751  3205.15  109.814  3290.54  159.595  3128.38  151.334  1098.42   26.888  1071.29   26.142 27.13428 37.50196 
1 1 1    6   14    1 o  760.767   13.602  1568.39   55.829  1619.82   81.746  1523.42   76.429  772.368   19.586  749.165   18.880 23.20276 27.20429 
1 1 1    6   14    2 o  190.549   9.6412   97.721   9.8895  110.360   14.599   87.005   13.444  201.871   13.384  179.226   13.881 22.64536 19.28236 
1 1 1    6   14    3 o  226.700   5.9178  138.917   7.2494   0.0000   0.0000  138.917   7.2494  ?   ?   226.700   5.9178      ?      ? 
1 1 1    6   14    4 o  604.868   10.953  990.010   35.800   0.0000   0.0000  990.010   35.800  ?   ?   604.868   10.953      ?      ? 
1 1 1    6   14    5 o  523.243   9.7582  740.589   27.590   0.0000   0.0000  740.589   27.590  ?   ?   523.243   9.7582      ?      ? 
1 1 1    6   14    6 o  184.505   8.1532   92.050   8.1288   0.0000   0.0000   92.050   8.1288  ?   ?   184.505   8.1532      ?      ? 
1 1 1    6   14    7 o  901.671   11.067  2199.70   53.924   0.0000   0.0000  2199.70   53.924  ?   ?   901.671   11.067      ?      ? 
1 1 1    6   14    8 o  1067.87   12.967  3086.73   74.823   0.0000   0.0000  3086.73   74.823  ?   ?   1067.87   12.967      ?      ? 
1 1 1    6   14    9 o  921.209   11.337  2295.98   56.435   0.0000   0.0000  2295.98   56.435  ?   ?   921.209   11.337      ?      ? 
1 1 1    6   14   10 o  477.265   7.9840  616.483   19.359  615.541   33.699  616.947   23.650  476.885   13.077  477.645   9.1630 -0.7603149 15.96808 
1 1 1    6   14   12 o  552.636   7.3325  826.013   21.896  830.156   31.088  821.934   30.846  554.010   10.385  551.261   10.355 2.748413 14.66503 
1 1 1    6   14   13 o  342.624   5.6224  316.978   10.402  327.400   15.063  307.479   14.381  347.999   8.0105  337.249   7.8915 10.74988 11.24472 
1 1 1    6   14   14 o  658.960   8.4175  1174.53   29.970  1185.36   42.774  1164.08   42.003  661.941   11.958  655.979   11.850 5.962463 16.83498 
1 1 1    6   14   15 o  167.074   6.2294   74.461   5.5766   89.549   8.4035   62.589   7.4544  181.999   8.5448  152.150   9.0668 29.84898 12.45876 
1 1 1    6   14   16 o  1080.73   13.098  3164.23   76.489  3167.51  108.380  3160.98  107.964  1081.29   18.549  1080.18   18.497 1.107422 26.19539 
1 1 1    6   14   18 o  208.736   7.7189  117.777   8.7065   0.0000   0.0000  117.777   8.7065  ?   ?   208.736   7.7189      ?      ? 
1 1 1    6   14   19 o  1068.77   12.980  3094.45   74.952  3058.53  104.894  3131.92  107.136  1062.45   18.271  1075.09   18.442 -12.64246 25.95990 
1 1 1    6   14   20 o  378.629   5.9336  387.613   12.139  381.321   17.187  393.876   17.146  375.561   8.4689  381.698   8.3131 -6.136993 11.86717 
1 1 1    6   14   21 o  486.725   8.3481  630.199   20.358  613.187   24.403  669.144   36.923  476.207   9.4832  497.244   13.742 -21.03757 16.69628 
1 1 1    6   14   22 o  1187.44   20.373  3837.79  130.722  3846.85  185.339  3828.83  184.402  1188.82   28.851  1186.06   28.772 2.763428 40.74585 
1 1 1    6   14   23 o  653.627   11.922  1155.66   42.063  1193.02   61.238  1122.30   57.877  663.589   17.078  643.664   16.640 19.92432 23.84425 
1 1 1    6   14   24 o  420.515   8.9426  478.497   20.319  487.613   28.907  469.595   28.566  424.475   12.602  416.554   12.691 7.921143 17.88522 
1 1 1    6   14   25 o  919.125   16.074  2295.76   79.824  2274.77  111.826  2317.57  113.980  914.869   22.620  923.381   22.843 -8.511292 32.14806 
1 1 1    6   14   26 o  402.781   8.9127  438.964   19.392  454.279   27.740  424.324   27.121  409.654   12.531  395.909   12.677 13.74536 17.82532 
1 1 1    6   14   27 o  580.624   11.049  912.872   34.653  935.811   49.861  891.441   48.194  587.666   15.702  573.581   15.549 14.08453 22.09803 
1 1 1    6   14   28 o  444.990   8.0813  519.197   17.622  575.450   33.552  497.767   20.709  460.973   13.470  429.007   8.9331 31.96616 16.16254 
1 1 1    6   14   29 o  279.226   7.9268  210.836   11.960   0.0000   0.0000  210.836   11.960  ?   ?   279.226   7.9268      ?      ? 
1 1 1    6   14   31 o  387.869   8.6137  406.957   18.053   0.0000   0.0000  406.957   18.053  ?   ?   387.869   8.6137      ?      ? 
1 1 1    6   14   32 o  642.001   8.3411  1114.81   28.912  1077.79   39.903  1155.73   41.950  630.808   11.706  653.193   11.885 -22.38440 16.68213 
1 1 1    6   14   33 o  561.141   7.5375  852.578   22.855  844.717   32.283  860.476   32.361  558.544   10.696  563.738   10.623 -5.194214 15.07505 
1 1 1    6   14   34 o  616.919   11.331  1031.41   37.774   0.0000   0.0000  1031.41   37.774  ?   ?   616.919   11.331      ?      ? 
1 1 1    6   14   35 o  210.786   8.3876  120.268   9.5536   0.0000   0.0000  120.268   9.5536  ?   ?   210.786   8.3876      ?      ? 
1 1 1    6   14   36 o   87.850   11.664   20.769   5.3573   28.466   8.2972   15.266   7.0158  102.314   15.008   73.386   17.861 28.92833 23.32878 
1 1 1    6   14   37 f  477.637   6.7932  618.291   17.529  616.890   25.058  619.633   24.530  477.091   9.7198  478.184   9.4930 -1.093811 13.58648 
1 1 1    6   14   38 f  152.906   7.4374   63.262   6.0903   64.775   9.3013   62.127   8.0578  154.461   11.144  151.351   9.8525 3.110031 14.87472 
1 1 1    6   14   39 o  132.341   7.9360   47.362   5.5708   48.727   8.8156   46.455   7.1879  133.855   12.188  130.827   10.168 3.028290 15.87207 
1 1 1    6   14   40 o  404.687   6.1941  443.750   13.538  427.148   18.818  461.563   19.492  396.846   8.7754  412.529   8.7442 -15.68298 12.38827 
1 1 1    6   14   41 o  483.134   9.6021  634.187   25.068   0.0000   0.0000  634.187   25.068  ?   ?   483.134   9.6021      ?      ? 
1 1 1    6   14   42 o  381.292   7.4237  377.834   13.883  438.063   26.628  355.352   16.269  400.724   12.297  361.859   8.3200 38.86484 14.84736 
1 1 1    6   14   43 o  405.879   6.2699  447.556   13.744  448.678   19.774  446.507   19.117  406.335   9.0057  405.422   8.7261 0.9132690 12.53981 
1 1 1    6   14   44 o  185.960   6.9364   93.959   6.9520   91.065   9.4407   97.387   10.276  182.879   9.5533  189.042   10.059 -6.162476 13.87271 
1 1 1    6   14   45 o  351.472   7.9897  338.231   15.126  332.207   22.180  343.468   20.681  348.359   11.783  354.586   10.794 -6.227020 15.97940 
1 1 1    6   14   46 o  124.850   10.420   41.615   6.8164   48.941   11.427   37.568   8.4931  132.867   15.915  116.834   13.453 16.03361 20.83905 
1 1 1    6   14   47 o  265.977   7.5519  190.831   10.657  208.829   17.045  179.279   13.656  275.854   11.435  256.100   9.8677 19.75455 15.10382 
1 1 1    6   14   48 o  254.094   5.8377  176.237   8.0026  172.543   11.576  179.619   11.075  251.465   8.5190  256.722   7.9837 -5.257553 11.67533 
1 1 1    6   14   49 o  318.528   5.8043  277.015   9.9817  272.638   14.352  281.116   13.892  316.013   8.4045  321.042   8.0078 -5.028839 11.60861 
1 1 1    6   14   50 o  118.167   8.6209   39.614   5.3641   32.474   8.0188   45.397   7.2164  107.896   13.754  128.438   10.398 -20.54176 17.24170 
1 1 1    6   14   51 o   40.554   12.049  -0.7734   4.9859  -9.0631   7.7660   5.0396   6.5032   33.188   15.794   47.919   18.201 -14.73064 24.09849 
1 1 1    6   14   52 o  315.031   5.8209  272.133   9.8965  269.625   14.323  274.424   13.690  313.518   8.4544  316.543   8.0036 -3.024963 11.64187 
1 1 1    6   14   53 o  178.556   6.6427   88.475   6.3583   81.102   9.3336   94.860   8.6855  171.300   10.083  185.812   8.6503 -14.51216 13.28535 
1 1 1    6   14   54 o  148.776   7.3362   61.498   5.8692   60.653   8.7022   62.202   7.9493  147.631   10.909  149.922   9.8124 -2.290558 14.67239 
1 1 1    6   14   55 o  287.333   5.8517  227.518   9.0749  222.025   13.053  232.658   12.626  283.818   8.5108  290.848   8.0334 -7.029694 11.70337 
1 1 1    6   14   56 o   59.802   14.066   10.597   5.2865   11.480   7.9794   9.9065   7.0577   61.714   20.492   57.890   19.274 3.823429 28.13214 
1 1 1    6   14   57 o   46.772   13.387   2.5274   5.4262   8.2786   8.3056  -1.7552   7.1672   55.529   20.680   38.016   17.004 17.51310 26.77318 
1 1 1    6   14   58 o   89.223   12.469   24.199   5.7780   27.767   8.6664   21.344   7.7524   95.319   17.469   83.128   17.795 12.19048 24.93710 
1 1 1    6   14   59 o   47.307   13.842   4.0566   5.8019   2.3901   8.6345   5.4284   7.8341   45.765   19.593   48.848   19.557 -3.083260 27.68375 
1 1 1    6   14   60 o   71.791   13.468   15.469   6.0563   28.400   9.0445   4.9589   8.1543   94.971   18.288   48.611   19.777 46.36063 26.93654 
1 1 1    6   14   61 o  123.541   11.671   48.673   6.9512   29.846   10.137   65.380   9.5497   95.876   20.204  151.205   11.688 -55.32829 23.34153 
1 1 1    6   14   62 o  136.909   9.2890   55.759   6.8131   66.769   10.291   47.169   9.0904  149.168   12.767  124.650   13.496 24.51821 18.57808 
1 1 1    6   14   63 o  115.050   16.878   48.450   10.144   51.081   14.131   45.653   14.571  119.993   22.624  110.107   25.053 9.885506 33.75663 
1 1 1    6   15    0 o  203.082   5.4826  111.310   6.0012  114.052   8.8524  108.978   8.1634  205.388   7.9762  200.776   7.5244 4.612640 10.96524 
1 1 1    6   15    2 o  1215.99   29.531  4031.53  194.045   0.0000   0.0000  4031.53  194.045  ?   ?   1215.99   29.531      ?      ? 
1 1 1    6   15    3 o  327.482   10.533  290.090   18.640  290.090   18.640   0.0000   0.0000  327.482   10.533  ?   ?       ?      ? 
1 1 1    6   15    5 o  633.069   11.625  1084.34   39.769   0.0000   0.0000  1084.34   39.769  ?   ?   633.069   11.625      ?      ? 
1 1 1    6   15    6 f  514.531   9.9598  716.010   27.692   0.0000   0.0000  716.010   27.692  ?   ?   514.531   9.9598      ?      ? 
1 1 1    6   15    7 o  374.080   8.4050  378.349   16.990   0.0000   0.0000  378.349   16.990  ?   ?   374.080   8.4050      ?      ? 
1 1 1    6   15   10 o  601.659   11.032  980.178   35.865  981.306   50.773  979.054   50.670  602.005   15.608  601.314   15.594 0.6901245 22.06314 
1 1 1    6   15   11 o  474.376   9.2425  608.867   23.691  612.612   33.637  605.180   33.374  475.823   13.082  472.929   13.060 2.894073 18.48501 
1 1 1    6   15   12 o  678.833   12.210  1247.93   44.783  1238.96   62.799  1257.21   63.880  676.361   17.182  681.306   17.351 -4.945190 24.41944 
1 1 1    6   15   13 o  502.309   9.6514  682.462   26.192  696.171   37.475  669.369   36.622  507.238   13.672  497.380   13.626 9.857391 19.30270 
1 1 1    6   15   14 o  322.572   7.6990  281.099   13.403  275.901   18.429  286.937   19.529  319.415   10.677  325.729   11.095 -6.314178 15.39792 
1 1 1    6   15   15 o  564.863   10.542  863.593   32.178  870.270   45.620  856.982   45.394  567.038   14.889  562.689   14.929 4.348450 21.08461 
1 1 1    6   15   16 o  635.730   11.610  1092.11   39.823  1135.58   58.285  1054.05   54.537  647.549   16.657  623.911   16.176 23.63739 23.21924 
1 1 1    6   15   17 f  658.183   11.972  1172.94   42.569  1156.76   59.348  1190.09   61.092  653.520   16.806  662.845   17.056 -9.324707 23.94478 
1 1 1    6   15   18 o  758.272   13.481  1556.83   55.193  1520.95   76.220  1596.40   80.029  749.124   18.829  767.420   19.299 -18.29620 26.96236 
1 1 1    6   15   19 o  902.301   15.736  2209.14   76.717  2194.59  107.732  2224.10  109.273  899.303   22.169  905.298   22.337 -5.995117 31.47123 
1 1 1    6   15   20 o  594.674   11.054  957.007   35.506  939.640   49.331  975.676   51.144  589.091   15.497  600.258   15.768 -11.16693 22.10839 
1 1 1    6   15   21 o  897.358   15.699  2185.91   76.124  2189.41  107.804  2182.43  107.509  898.072   22.214  896.644   22.189 1.428223 31.39795 
1 1 1    6   15   22 o   70.522   16.276   12.852   7.1778   10.473   10.018   15.363   10.289   65.822   22.940   75.221   23.096 -9.398994 32.55269 
1 1 1    6   15   23 o  511.913   14.208  709.685   39.303  709.685   39.303   0.0000   0.0000  511.913   14.208  ?   ?       ?      ? 
1 1 1    6   15   24 o  716.391   11.383  1325.30   39.136  1534.91   77.829  1254.36   45.277  752.044   19.152  680.739   12.309 71.30518 22.76615 
1 1 1    6   15   25 o  179.217   7.1027   87.020   6.8589   84.865   10.015   88.925   9.4131  177.114   10.464  181.320   9.6072 -4.206009 14.20540 
1 1 1    6   15   26 o  482.093   9.6097  628.662   25.034   0.0000   0.0000  628.662   25.034  ?   ?   482.093   9.6097      ?      ? 
1 1 1    6   15   27 o  796.654   9.9907  1718.14   42.988  1679.38   59.695  1759.90   61.958  787.342   14.031  805.967   14.226 -18.62543 19.98133 
1 1 1    6   15   28 o  541.485   10.467  793.381   30.626   0.0000   0.0000  793.381   30.626  ?   ?   541.485   10.467      ?      ? 
1 1 1    6   15   29 o  338.427   6.1074  309.903   11.157  307.244   16.113  312.353   15.465  337.023   8.8475  339.832   8.4216 -2.808716 12.21476 
1 1 1    6   15   30 o  802.972   10.079  1742.47   43.630  1666.77   59.291  1831.88   64.434  784.067   13.994  821.878   14.508 -37.81073 20.15766 
1 1 1    6   15   31 o  172.385   7.2744   80.865   6.7057   77.256   10.116   83.693   8.9560  168.910   11.083  175.860   9.4246 -6.950424 14.54871 
1 1 1    6   15   32 o  115.700   11.119   40.177   6.1343   22.791   9.1598   54.317   8.2602   89.784   19.443  141.615   10.794 -51.83129 22.23822 
1 1 1    6   15   33 o  133.801   8.5712   48.756   6.0992   47.352   9.4322   49.765   7.9958  132.091   13.215  135.510   10.920 -3.419052 17.14235 
1 1 1    6   15   34 o  105.948   10.344   30.550   5.8828   30.091   8.8039   30.920   7.9072  105.191   15.489  106.705   13.714 -1.514023 20.68713 
1 1 1    6   15   35 o  971.469   11.969  2569.78   62.801  2515.38   87.150  2628.53   90.576  960.851   16.785  982.086   17.068 -21.23474 23.93847 
1 1 1    6   15   36 o  474.375   6.8114  608.728   17.442  578.231   24.049  642.572   25.334  461.865   9.6361  486.885   9.6294 -25.01999 13.62274 
1 1 1    6   15   37 o  158.165   7.3744   66.418   6.2057   76.248   9.8838   60.022   7.9732  167.583   10.915  148.748   9.9196 18.83452 14.74874 
1 1 1    6   15   38 f  434.210   6.4729  511.447   15.184  501.552   21.536  521.229   21.413  430.012   9.2681  438.408   9.0387 -8.396088 12.94589 
1 1 1    6   15   39 f  383.714   6.1579  398.707   12.741  409.314   18.738  389.587   17.376  388.413   8.9276  379.014   8.4839 9.398895 12.31579 
1 1 1    6   15   40 o  221.397   6.2607  134.653   7.4005  115.860   10.767  151.481   10.189  206.480   9.6502  236.313   7.9789 -29.83315 12.52149 
1 1 1    6   15   41 o  345.355   5.9586  322.879   11.082  333.524   16.468  314.068   14.982  350.493   8.6952  340.216   8.1495 10.27634 11.91727 
1 1 1    6   15   42 o  186.130   8.2856   94.563   7.4436   94.504   14.164   94.585   8.7491  185.671   14.118  186.589   8.6774 -0.9172974 16.57124 
1 1 1    6   15   43 o  334.968   8.0028  306.374   14.346  307.658   21.872  305.405   19.005  335.329   12.070  334.606   10.511 0.7235718 16.00562 
1 1 1    6   15   44 o  131.400   10.259   46.404   7.0368   52.140   11.833   43.266   8.7525  137.253   15.955  125.547   12.901 11.70580 20.51859 
1 1 1    6   15   45 o  332.640   7.9509  301.822   14.132  309.910   21.786  295.946   18.569  336.177   11.993  329.103   10.442 7.074371 15.90172 
1 1 1    6   15   46 o  139.032   7.6930   52.750   5.7128   54.452   8.8315   51.525   7.4911  140.816   11.606  137.247   10.101 3.568649 15.38609 
1 1 1    6   15   47 o  142.398   7.7554   56.891   5.8324   47.415   8.7122   64.587   7.8513  131.122   12.296  153.674   9.4548 -22.55205 15.51082 
1 1 1    6   15   48 o  269.885   5.8673  199.317   8.5339  187.709   12.266  210.208   11.881  262.128   8.6597  277.642   7.9191 -15.51477 11.73463 
1 1 1    6   15   49 o  185.199   6.3773   92.867   6.3325  102.668   9.7227   85.647   8.3452  193.506   9.2983  176.892   8.7305 16.61386 12.75463 
1 1 1    6   15   50 o   72.053   13.188   15.299   5.1134   16.653   7.9923   14.361   6.6533   74.513   19.590   69.593   17.662 4.920059 26.37690 
1 1 1    6   15   51 o  101.610   9.9553   29.078   5.4316   28.973   8.1336   29.162   7.2972  101.208   14.872  102.012   13.238 -0.8045120 19.91057 
1 1 1    6   15   52 o  102.600   9.8933   29.091   5.4250   35.650   8.3368   24.274   7.1445  112.513   13.712   92.687   14.265 19.82584 19.78665 
1 1 1    6   15   53 o  163.113   7.0987   73.212   6.2073   77.440   9.4912   70.052   8.2053  167.006   10.517  159.221   9.5369 7.785217 14.19737 
1 1 1    6   15   54 o  135.596   8.1361   50.470   5.8998   61.270   9.0710   42.550   7.7672  147.988   11.343  123.203   11.667 24.78479 16.27225 
1 1 1    6   15   55 o   88.787   11.992   22.586   5.5595   34.255   8.6863   14.490   7.2358  109.113   14.732   68.461   18.926 40.65183 23.98427 
1 1 1    6   15   56 o  168.152   7.4193   80.339   6.6127   68.701   9.8476   89.896   8.9240  156.218   11.666  180.087   9.1704 -23.86954 14.83870 
1 1 1    6   15   57 f  156.779   7.8977   69.618   6.6063   67.219   10.062   71.436   8.7587  153.820   12.105  159.738   10.147 -5.918472 15.79546 
1 1 1    6   15   58 o  288.832   6.3043  233.304   9.8107  219.705   14.117  246.006   13.644  280.248   9.3222  297.417   8.4895 -17.16867 12.60853 
1 1 1    6   15   59 o   43.802   13.486   0.0683   6.0526   5.0653   9.1490  -3.8207   8.0712   50.176   20.740   37.428   17.243 12.74839 26.97160 
1 1 1    6   15   60 o  203.858   11.002  117.881   12.119  117.881   12.119   0.0000   0.0000  203.858   11.002  ?   ?       ?      ? 
1 1 1    6   15   61 o  228.299   6.9520  149.089   8.5514  157.402   12.692  142.178   11.572  233.806   10.046  222.792   9.6125 11.01395 13.90397 
1 1 1    6   15   62 o   51.858   15.967   4.9794   7.7896   4.0094   9.2937   7.2703   14.282   47.474   20.326   56.242   24.630 -8.767185 31.93417 
1 1 1    6   15   63 o  149.848   13.570   75.754   10.856   62.477   14.431   93.063   16.478  133.631   19.985  166.065   18.363 -32.43388 27.13995 
1 1 1    6   16    0 o  578.127   7.6974  903.935   24.045  892.014   33.846  916.083   34.167  574.277   10.907  581.976   10.865 -7.698853 15.39474 
1 1 1    6   16    2 o  1497.05   20.576  6178.92  147.273  5932.43  281.661  6271.66  172.772  1473.54   35.373  1520.56   21.027 -47.01526 41.15122 
1 1 1    6   16    3 o  530.718   8.6250  762.247   23.368  761.261   40.289  762.747   28.687  530.345   14.059  531.092   9.9960 -0.7465820 17.25002 
1 1 1    6   16    4 o  537.984   10.074  782.672   29.285   0.0000   0.0000  782.672   29.285  ?   ?   537.984   10.074      ?      ? 
1 1 1    6   16    5 o  429.396   9.3571  498.538   21.711   0.0000   0.0000  498.538   21.711  ?   ?   429.396   9.3571      ?      ? 
1 1 1    6   16    6 o  510.134   9.6669  703.661   26.648   0.0000   0.0000  703.661   26.648  ?   ?   510.134   9.6669      ?      ? 
1 1 1    6   16    7 o  1072.26   18.368  3114.86  106.428   0.0000   0.0000  3114.86  106.428  ?   ?   1072.26   18.368      ?      ? 
1 1 1    6   16    8 o  267.416   6.1694  193.270   8.9149   0.0000   0.0000  193.270   8.9149  ?   ?   267.416   6.1694      ?      ? 
1 1 1    6   16    9 o  366.577   8.0242  363.249   15.895   0.0000   0.0000  363.249   15.895  ?   ?   366.577   8.0242      ?      ? 
1 1 1    6   16   10 o  521.238   8.0730  738.759   19.927  726.576   38.971  743.071   23.188  518.185   13.918  524.292   8.1846 -6.107300 16.14606 
1 1 1    6   16   11 o  723.536   11.131  1420.76   41.148  1406.31   70.662  1428.17   50.615  720.510   18.149  726.563   12.892 -6.053223 22.26198 
1 1 1    6   16   12 o  422.184   6.3441  481.808   14.468  485.181   20.755  478.619   20.180  423.618   9.0670  420.750   8.8757 2.868500 12.68816 
1 1 1    6   16   13 o  822.241   10.250  1829.85   45.541  1839.42   64.812  1820.51   64.004  824.359   14.550  820.122   14.443 4.236938 20.50072 
1 1 1    6   16   14 o  436.366   6.4365  514.369   15.167  527.379   21.938  502.458   20.992  441.644   9.1925  431.089   9.0117 10.55493 12.87294 
1 1 1    6   16   15 o  712.600   9.0600  1373.80   34.882  1383.32   49.810  1364.64   48.865  715.017   12.892  710.183   12.733 4.833313 18.12006 
1 1 1    6   16   16 o  937.544   11.521  2379.75   58.357  2346.76   81.547  2414.39   83.548  930.896   16.211  944.192   16.375 -13.29626 23.04248 
1 1 1    6   16   17 o  758.781   9.5619  1557.64   39.198  1534.52   54.780  1581.91   56.113  753.017   13.463  764.544   13.582 -11.52765 19.12389 
1 1 1    6   16   18 o  378.350   6.0732  386.800   12.408  392.839   17.943  381.266   17.177  381.175   8.7113  375.526   8.4646 5.649017 12.14649 
1 1 1    6   16   19 o  354.633   7.3650  339.129   13.297  337.099   16.251  343.243   23.130  353.095   8.5173  356.171   12.018 -3.075378 14.73009 
1 1 1    6   16   20 f  527.703   7.2703  753.269   20.731  750.855   29.428  755.647   29.208  526.860   10.337  528.546   10.227 -1.685242 14.54062 
1 1 1    6   16   21 o  728.966   11.355  1437.46   42.025  1447.97   73.391  1432.33   51.261  730.565   18.591  727.367   13.042 3.197876 22.70921 
1 1 1    6   16   22 o  478.429   9.6841  619.138   25.036   0.0000   0.0000  619.138   25.036  ?   ?   478.429   9.6841      ?      ? 
1 1 1    6   16   23 o  169.240   10.389   77.485   9.5007   0.0000   0.0000   77.485   9.5007  ?   ?   169.240   10.389      ?      ? 
1 1 1    6   16   25 o  154.388   8.1824   63.984   6.7978   71.833   10.148   57.595   9.1556  162.907   11.528  145.869   11.615 17.03775 16.36478 
1 1 1    6   16   26 o  681.434   12.402  1257.24   45.668   0.0000   0.0000  1257.24   45.668  ?   ?   681.434   12.402      ?      ? 
1 1 1    6   16   27 o  530.552   7.3878  761.301   21.174  739.673   29.551  784.121   30.355  522.811   10.460  538.292   10.436 -15.48090 14.77556 
1 1 1    6   16   28 o  179.181   9.9546   86.894   9.6384   0.0000   0.0000   86.894   9.6384  ?   ?   179.181   9.9546      ?      ? 
1 1 1    6   16   29 o  372.838   6.2990  376.100   12.684  360.449   17.836  392.115   18.042  364.983   9.0436  380.694   8.7705 -15.71133 12.59798 
1 1 1    6   16   30 o  199.441   10.418  107.699   11.228  107.699   11.228   0.0000   0.0000  199.441   10.418  ?   ?       ?      ? 
1 1 1    6   16   32 o  223.747   8.7264  135.535   10.551   0.0000   0.0000  135.535   10.551  ?   ?   223.747   8.7264      ?      ? 
1 1 1    6   16   33 o  562.719   10.675  858.316   32.461   0.0000   0.0000  858.316   32.461  ?   ?   562.719   10.675      ?      ? 
1 1 1    6   16   34 o  377.741   8.5990  386.434   17.552   0.0000   0.0000  386.434   17.552  ?   ?   377.741   8.5990      ?      ? 
1 1 1    6   16   35 o  305.741   6.0041  253.412   9.9042  250.141   14.361  256.380   13.678  303.832   8.7469  307.650   8.2275 -3.817413 12.00830 
1 1 1    6   16   36 o  298.638   7.9732  241.617   12.867   0.0000   0.0000  241.617   12.867  ?   ?   298.638   7.9732      ?      ? 
1 1 1    6   16   37 o  358.654   6.0827  348.950   11.767  345.693   17.124  351.864   16.196  357.027   8.8760  360.282   8.3193 -3.254944 12.16531 
1 1 1    6   16   38 o  357.304   8.1980  346.230   15.828   0.0000   0.0000  346.230   15.828  ?   ?   357.304   8.1980      ?      ? 
1 1 1    6   16   39 o  439.639   6.5647  525.082   15.592  510.029   21.960  540.385   22.141  433.260   9.3801  446.018   9.1868 -12.75797 13.12946 
1 1 1    6   16   40 o  114.648   13.393   44.572   6.4396   24.189   12.569   51.827   7.4986   91.255   24.828  138.040   10.053 -46.78555 26.78594 
1 1 1    6   16   41 o  201.437   8.7079  113.322   9.0739  101.847   14.746  120.315   11.511  192.676   14.163  210.197   10.135 -17.52089 17.41572 
1 1 1    6   16   42 o  221.947   8.2739  137.061   9.5546  125.405   15.406  144.347   12.180  213.742   13.338  230.151   9.7938 -16.40941 16.54770 
1 1 1    6   16   43 o   68.227   15.973   12.246   6.4280   14.110   11.810   11.462   7.6624   72.497   24.928   63.957   19.979 8.539814 31.94638 
1 1 1    6   16   44 o  210.427   7.6061  112.149   7.7327  141.554   15.453  102.326   8.9314  226.991   12.598  193.864   8.5258 33.12711 15.21214 
1 1 1    6   16   45 o  371.146   11.122  377.928   22.306   0.0000   0.0000  377.928   22.306  ?   ?   371.146   11.122      ?      ? 
1 1 1    6   16   46 o   45.673   13.277   2.4291   5.2370   0.1314   8.4533   3.8602   6.6716   44.954   19.320   46.391   18.216 -1.437233 26.55326 
1 1 1    6   16   47 o  111.764   9.2414   33.942   5.5098   38.851   8.6793   30.629   7.1309  118.290   13.578  105.238   12.540 13.05232 18.48276 
1 1 1    6   16   48 o  123.643   8.5574   42.717   5.6134   40.226   8.6552   44.526   7.3747  120.177   13.328  127.108   10.737 -6.930275 17.11486 
1 1 1    6   16   49 f  274.716   5.8831  205.936   8.6942  212.967   13.010  200.263   11.687  278.803   8.6355  270.629   7.9918 8.174377 11.76611 
1 1 1    6   16   50 o  193.748   6.5817  103.755   6.8511   97.954   10.062  108.768   9.3541  188.454   9.8812  199.042   8.6970 -10.58835 13.16345 
1 1 1    6   16   51 o  206.588   6.4768  116.203   7.1634  126.739   11.067  108.605   9.3977  214.392   9.5528  198.785   8.7488 15.60664 12.95367 
1 1 1    6   16   52 o  126.141   8.5473   43.785   5.7653   50.092   8.9808   39.363   7.5193  133.602   12.440  118.679   11.725 14.92202 17.09459 
1 1 1    6   16   53 o  126.986   9.0192   47.014   5.9425   38.278   9.2046   53.257   7.7815  115.622   14.732  138.350   10.409 -22.72740 18.03841 
1 1 1    6   16   54 o  211.190   6.4697  123.651   7.3123  102.568   10.158  146.331   10.535  192.111   9.7848  230.270   8.4667 -38.15874 12.93936 
1 1 1    6   16   55 o  123.945   9.0688   43.739   6.0035   42.535   9.1249   44.658   7.9720  121.943   13.848  125.947   11.714 -4.004311 18.13764 
1 1 1    6   16   56 o   59.493   14.523   10.708   5.8183   7.2548   8.9081   13.276   7.6837   54.064   21.100   64.921   19.963 -10.85645 29.04658 
1 1 1    6   16   57 o  181.171   7.3553   92.408   7.1492   93.175   10.782   91.805   9.5509  181.401   10.999  180.940   9.7684 0.4606476 14.71054 
1 1 1    6   16   58 o  131.738   9.9447   52.349   6.8019   43.649   10.553   58.531   8.8964  120.370   16.225  143.105   11.505 -22.73520 19.88949 
1 1 1    6   16   60 o  207.668   7.3191  124.940   8.1532  113.932   11.862  134.796   11.225  197.999   11.087  217.338   9.5577 -19.33932 14.63811 
1 1 1    6   16   61 o   82.770   16.775   21.020   8.1250   10.308   9.8000   44.572   14.532   56.743   22.135  108.797   25.211 -52.05383 33.54916 
1 1 1    6   16   62 o   63.292   17.680   14.787   9.3614   5.8739   12.572   25.878   14.025   51.316   22.764   75.268   27.058 -23.95108 35.35958 
1 1 1    6   17    0 o  467.947   9.4713  592.044   23.949   0.0000   0.0000  592.044   23.949  ?   ?   467.947   9.4713      ?      ? 
1 1 1    6   17    1 o  512.358   7.1170  709.529   19.700  692.643   27.547  727.206   28.184  506.121   10.072  518.595   10.057 -12.47446 14.23392 
1 1 1    6   17    2 o  146.905   7.0635   57.353   5.1147   60.788   9.5469   55.970   6.0573  149.915   11.785  143.896   7.7901 6.019424 14.12703 
1 1 1    6   17    3 o  121.688   8.3139   40.031   5.4669   0.0000   0.0000   40.031   5.4669  ?   ?   121.688   8.3139      ?      ? 
1 1 1    6   17    4 o  843.721   10.488  1925.02   47.817   0.0000   0.0000  1925.02   47.817  ?   ?   843.721   10.488      ?      ? 
1 1 1    6   17    5 o  795.403   9.9975  1710.74   42.970   0.0000   0.0000  1710.74   42.970  ?   ?   795.403   9.9975      ?      ? 
1 1 1    6   17    6 o  254.266   5.9366  174.727   8.1567   0.0000   0.0000  174.727   8.1567  ?   ?   254.266   5.9366      ?      ? 
1 1 1    6   17    7 o  1339.29   16.144  4856.95  116.832   0.0000   0.0000  4856.95  116.832  ?   ?   1339.29   16.144      ?      ? 
1 1 1    6   17    8 f  151.586   8.7467   62.124   7.1646   0.0000   0.0000   62.124   7.1646  ?   ?   151.586   8.7467      ?      ? 
1 1 1    6   17    9 o  339.151   9.0294  310.994   16.548   0.0000   0.0000  310.994   16.548  ?   ?   339.151   9.0294      ?      ? 
1 1 1    6   17   10 o  575.434   7.6976  895.106   23.935   0.0000   0.0000  895.106   23.935  ?   ?   575.434   7.6976      ?      ? 
1 1 1    6   17   11 o  1052.47   14.750  3015.11   73.092  2981.98  144.340  3026.54   84.763  1047.58   25.498  1057.36   14.835 -9.785645 29.49995 
1 1 1    6   17   12 o  743.787   11.460  1502.27   43.606  1485.36   74.662  1511.03   53.720  740.321   18.664  747.254   13.304 -6.932983 22.91987 
1 1 1    6   17   15 o  120.167   9.8390   39.094   6.3561   44.508   9.1363   34.016   8.8483  128.242   13.184  112.091   14.608 16.15154 19.67806 
1 1 1    6   17   17 o  380.253   8.7926  390.993   18.067   0.0000   0.0000  390.993   18.067  ?   ?   380.253   8.7926      ?      ? 
1 1 1    6   17   18 o  785.894   12.245  1649.04   48.089  1608.97   57.558  1741.67   87.513  770.828   13.818  800.960   20.220 -30.13214 24.49054 
1 1 1    6   17   19 o  330.524   6.1977  293.506   11.032  266.362   14.944  326.025   16.356  313.835   8.8119  347.212   8.7176 -33.37729 12.39540 
1 1 1    6   17   20 o  413.785   12.858  463.513   28.750  463.513   28.750   0.0000   0.0000  413.785   12.858  ?   ?       ?      ? 
1 1 1    6   17   21 o  571.334   10.959  883.211   33.834   0.0000   0.0000  883.211   33.834  ?   ?   571.334   10.959      ?      ? 
1 1 1    6   17   23 o  124.947   10.580   42.403   7.1132   41.209   10.471   43.425   9.6930  123.291   15.717  126.603   14.169 -3.311523 21.16094 
1 1 1    6   17   24 o  160.943   11.802   70.118   10.264   0.0000   0.0000   70.118   10.264  ?   ?   160.943   11.802      ?      ? 
1 1 1    6   17   25 o  454.323   6.9244  557.443   16.984  530.885   23.445  586.772   24.637  442.957   9.7948  465.690   9.7904 -22.73245 13.84883 
1 1 1    6   17   26 o  254.743   6.6098  175.592   9.0897  175.803   13.153  175.400   12.576  254.881   9.5499  254.605   9.1409 0.2755585 13.21953 
1 1 1    6   17   27 o  902.846   15.830  2212.32   77.230   0.0000   0.0000  2212.32   77.230  ?   ?   902.846   15.830      ?      ? 
1 1 1    6   17   28 f  388.087   6.4080  407.441   13.433  391.548   18.828  423.918   19.171  380.375   9.1601  395.800   8.9634 -15.42468 12.81604 
1 1 1    6   17   30 o   66.289   15.232   11.635   6.2403   11.070   9.2598   12.105   8.4463   65.684   22.079   66.894   20.990 -1.210915 30.46395 
1 1 1    6   17   31 f  294.048   6.2095  233.084   9.8177  244.028   14.763  224.408   13.146  300.185   9.1014  287.911   8.4495 12.27423 12.41893 
1 1 1    6   17   32 o  362.775   8.5875  356.381   16.834   0.0000   0.0000  356.381   16.834  ?   ?   362.775   8.5875      ?      ? 
1 1 1    6   17   33 o  415.082   8.9804  466.857   20.143   0.0000   0.0000  466.857   20.143  ?   ?   415.082   8.9804      ?      ? 
1 1 1    6   17   34 o  207.924   6.7174  116.962   7.4843  119.349   11.394  115.151   9.9262  209.739   10.053  206.108   8.9125 3.631042 13.43487 
1 1 1    6   17   35 o  245.013   8.6246  162.742   11.419   0.0000   0.0000  162.742   11.419  ?   ?   245.013   8.6246      ?      ? 
1 1 1    6   17   36 o  551.812   7.5647  827.154   22.551  805.061   31.519  850.323   32.278  544.261   10.717  559.363   10.679 -15.10236 15.12936 
1 1 1    6   17   37 o  418.478   8.0116  478.740   16.881  471.622   29.769  482.113   20.494  415.577   13.257  421.380   9.0004 -5.803986 16.02321 
1 1 1    6   17   38 o  453.556   9.2817  562.167   22.696  558.333   33.174  565.541   31.119  451.926   13.584  455.186   12.652 -3.260101 18.56344 
1 1 1    6   17   39 o   99.622   14.687   28.588   7.1320   26.914   13.194   29.279   8.4773   95.970   25.141  103.275   15.191 -7.304428 29.37373 
1 1 1    6   17   40 o  214.081   8.5565  115.858   9.2130  151.779   17.215  101.441   10.906  235.258   13.542  192.905   10.463 42.35300 17.11302 
1 1 1    6   17   41 o  192.911   6.6097  100.841   6.8105  104.737   10.543   98.050   8.9216  195.989   9.9553  189.834   8.6972 6.154358 13.21930 
1 1 1    6   17   42 o  140.854   8.0886   53.295   6.0735   60.391   9.5896   48.542   7.8482  148.454   11.954  133.254   10.899 15.20049 16.17720 
1 1 1    6   17   43 o  396.620   6.3958  428.620   13.696  404.882   19.145  453.504   19.602  385.319   9.1949  407.922   8.8925 -22.60287 12.79156 
1 1 1    6   17   44 o   80.819   15.353   17.023   6.0035   24.662   12.650   14.802   6.8206   90.421   25.035   71.217   17.779 19.20361 30.70542 
1 1 1    6   17   45 o  338.632   8.3594  312.865   15.296   0.0000   0.0000  312.865   15.296  ?   ?   338.632   8.3594      ?      ? 
1 1 1    6   17   46 o  192.570   7.2321  101.597   7.5113   93.191   10.393  110.788   10.868  184.183   10.443  200.956   10.008 -16.77287 14.46428 
1 1 1    6   17   47 f  204.712   6.5466  116.372   7.1320  104.754   10.721  125.595   9.5524  195.116   10.168  214.309   8.2486 -19.19336 13.09325 
1 1 1    6   17   48 o   72.128   13.875   14.792   5.4612   19.814   8.9222   11.784   6.9059   80.978   20.400   63.278   18.814 17.69956 27.75090 
1 1 1    6   17   49 o  280.006   6.0524  215.717   9.0798  210.943   13.675  219.480   12.143  276.923   9.1387  283.090   7.9378 -6.166504 12.10474 
1 1 1    6   17   50 o  198.456   6.7285  110.414   7.0743   96.552   10.672  121.282   9.4488  186.685   10.579  210.227   8.3176 -23.54202 13.45701 
1 1 1    6   17   51 o  116.319   9.2487   37.619   5.7492   41.586   8.9626   34.846   7.4942  121.231   13.681  111.407   12.449 9.824112 18.49741 
1 1 1    6   17   52 o   99.785   11.226   30.182   5.6266   24.191   8.7528   34.401   7.3455   89.022   18.786  110.547   12.297 -21.52519 22.45235 
1 1 1    6   17   53 o  134.666   8.5278   50.563   6.1601   55.815   9.4337   46.659   8.1335  140.522   12.424  128.810   11.685 11.71259 17.05560 
1 1 1    6   17   54 o   46.813   13.616   3.4883   5.5214   2.9632   8.3276   3.9002   7.3757   47.031   19.641   46.595   18.863 0.4363480 27.23213 
1 1 1    6   17   55 o  227.280   6.5009  143.749   7.9345  143.326   11.883  144.089   10.659  226.605   9.7043  227.956   8.6531 -1.351334 13.00189 
1 1 1    6   17   56 o  175.460   7.6183   87.318   7.1663   84.070   10.696   89.963   9.6533  171.943   11.512  178.977   9.9814 -7.034927 15.23651 
1 1 1    6   17   57 f  152.165   8.4407   66.850   6.8468   63.663   10.401   69.287   9.0951  148.118   12.996  156.213   10.775 -8.095642 16.88138 
1 1 1    6   17   58 o  100.456   19.715   32.230   10.320   32.230   10.320   0.0000   0.0000  100.456   19.715  ?   ?       ?      ? 
1 1 1    6   17   59 o   59.264   13.359   6.5883   6.3928   25.122   9.6251  -8.0407   8.5514   84.406   21.147   34.122   16.330 50.28411 26.71829 
1 1 1    6   17   60 o   93.304   17.303   29.988   8.3358   24.397   9.9993   42.725   15.092   82.447   22.026  104.161   26.692 -21.71377 34.60654 
1 1 1    6   17   61 o   81.991   17.762   29.161   9.8304   41.284   13.350   14.800   14.530  102.652   24.422   61.329   25.799 41.32301 35.52483 
1 1 1    6   18    1 o  818.527   11.604  1852.36   46.159  1726.80   85.400  1904.19   54.863  798.082   19.803  838.971   12.102 -40.88971 23.20761 
1 1 1    6   18    2 o  695.956   10.209  1307.69   33.329  1317.79   66.521  1304.30   38.511  697.432   17.651  694.480   10.262 2.952393 20.41736 
1 1 1    6   18    3 o  862.628   12.451  2013.24   58.038   0.0000   0.0000  2013.24   58.038  ?   ?   862.628   12.451      ?      ? 
1 1 1    6   18    4 o  155.839   9.1400   65.664   7.6968   0.0000   0.0000   65.664   7.6968  ?   ?   155.839   9.1400      ?      ? 
1 1 1    6   18    5 o  261.499   6.1144  184.817   8.6399   0.0000   0.0000  184.817   8.6399  ?   ?   261.499   6.1144      ?      ? 
1 1 1    6   18    6 o  267.055   6.1001  192.753   8.8029   0.0000   0.0000  192.753   8.8029  ?   ?   267.055   6.1001      ?      ? 
1 1 1    6   18    7 o  458.644   6.7630  568.573   16.761   0.0000   0.0000  568.573   16.761  ?   ?   458.644   6.7630      ?      ? 
1 1 1    6   18    8 o  397.157   8.5989  426.450   18.454   0.0000   0.0000  426.450   18.454  ?   ?   397.157   8.5989      ?      ? 
1 1 1    6   18    9 o  1177.56   14.297  3753.40   90.975   0.0000   0.0000  3753.40   90.975  ?   ?   1177.56   14.297      ?      ? 
1 1 1    6   18   10 o  417.080   7.3560  470.235   16.579   0.0000   0.0000  470.235   16.579  ?   ?   417.080   7.3560      ?      ? 
1 1 1    6   18   11 o  236.730   6.7818  153.433   7.6717  147.500   14.708  155.651   8.9917  233.497   11.657  239.964   6.9344 -6.466827 13.56359 
1 1 1    6   18   12 o  798.235   11.627  1701.51   42.671  1773.65   88.448  1679.63   48.714  808.540   20.244  787.931   11.441 20.60834 23.25365 
1 1 1    6   18   14 o  253.467   6.5023  173.892   8.8985  168.563   12.711  179.013   12.461  249.650   9.4224  257.284   8.9632 -7.634094 13.00465 
1 1 1    6   18   15 o  731.686   9.3803  1449.52   37.087  1451.39   52.617  1447.67   52.283  732.152   13.299  731.220   13.232 0.9314575 18.76067 
1 1 1    6   18   16 o  657.432   8.6429  1168.97   30.690  1139.84   42.619  1200.35   44.231  648.937   12.154  665.927   12.292 -16.99030 17.28580 
1 1 1    6   18   17 o  572.778   15.590  888.964   48.253   0.0000   0.0000  888.964   48.253  ?   ?   572.778   15.590      ?      ? 
1 1 1    6   18   18 o  218.252   8.7067  124.210   9.8059  114.136   11.982  144.640   17.063  205.390   10.796  231.115   13.663 -25.72534 17.41344 
1 1 1    6   18   19 o  755.816   11.935  1514.31   44.647  1635.58   83.068  1465.05   52.944  776.098   19.808  735.535   13.321 40.56305 23.86997 
1 1 1    6   18   20 o  404.859   9.3606  443.389   20.478   0.0000   0.0000  443.389   20.478  ?   ?   404.859   9.3606      ?      ? 
1 1 1    6   18   21 o  631.175   8.4271  1078.08   28.737  1059.49   40.163  1097.59   41.133  625.605   11.881  636.745   11.955 -11.14044 16.85426 
1 1 1    6   18   22 o  387.264   9.1926  405.685   19.237   0.0000   0.0000  405.685   19.237  ?   ?   387.264   9.1926      ?      ? 
1 1 1    6   18   23 o  236.025   9.7937  150.744   12.491   0.0000   0.0000  150.744   12.491  ?   ?   236.025   9.7937      ?      ? 
1 1 1    6   18   25 o  346.414   6.4967  324.579   12.152  328.164   17.579  321.299   16.816  348.236   9.3419  344.592   9.0310 3.644012 12.99346 
1 1 1    6   18   26 o  423.341   9.4070  485.067   21.519   0.0000   0.0000  485.067   21.519  ?   ?   423.341   9.4070      ?      ? 
1 1 1    6   18   27 o  128.234   10.045   44.575   6.9484   48.450   10.026   40.993   9.6387  133.603   13.887  122.866   14.518 10.73781 20.09024 
1 1 1    6   18   28 o  369.180   6.4227  369.204   12.807  359.237   18.202  378.978   18.023  364.228   9.2481  374.131   8.9149 -9.903503 12.84530 
1 1 1    6   18   29 o  485.298   7.0801  637.780   18.561  617.126   25.951  659.411   26.558  477.252   10.063  493.345   9.9623 -16.09329 14.16014 
1 1 1    6   18   30 o  136.795   9.2085   50.657   6.7628   52.198   10.225   49.459   9.0168  138.603   13.652  134.987   12.362 3.616562 18.41702 
1 1 1    6   18   31 o   93.663   12.988   25.132   6.3484   19.776   9.4924   29.466   8.5391   83.315   21.071  104.012   15.193 -20.69669 25.97692 
1 1 1    6   18   32 o  353.453   6.2395  338.806   11.909  325.967   16.904  351.458   16.779  346.776   9.0209  360.130   8.6225 -13.35468 12.47894 
1 1 1    6   18   33 o  370.020   6.3156  371.174   12.621  354.444   17.722  388.391   17.978  361.540   9.0712  378.499   8.7898 -16.95905 12.63119 
1 1 1    6   18   34 o  275.719   6.3567  204.086   9.3796  221.047   14.506  191.898   12.296  285.411   9.4055  266.027   8.5537 19.38361 12.71333 
1 1 1    6   18   35 o  218.065   9.1491  125.417   10.321  144.437   17.817  115.811   12.662  229.857   14.345  206.273   11.360 23.58463 18.29819 
1 1 1    6   18   36 o  155.004   10.966   57.951   8.5822   92.140   15.982   44.099   10.173  183.144   16.149  126.865   14.840 56.27934 21.93241 
1 1 1    6   18   37 o  338.483   8.5790  315.288   15.549  282.432   22.739  344.144   21.310  321.508   13.089  355.457   11.094 -33.94965 17.15799 
1 1 1    6   18   38 o  160.496   8.3752   70.230   7.2419   63.023   10.042   78.041   10.453  151.872   12.236  169.120   11.439 -17.24782 16.75039 
1 1 1    6   18   39 o  301.921   8.1589  247.732   13.311   0.0000   0.0000  247.732   13.311  ?   ?   301.921   8.1589      ?      ? 
1 1 1    6   18   40 o  306.577   8.0855  255.534   13.395   0.0000   0.0000  255.534   13.395  ?   ?   306.577   8.0855      ?      ? 
1 1 1    6   18   41 o   44.953   13.442   0.9401   5.5481   0.1901   8.7593   1.4426   7.1696   46.112   19.738   43.795   18.252 2.317181 26.88309 
1 1 1    6   18   42 o  309.630   6.0221  261.638   10.056  253.226   14.535  269.360   13.927  304.753   8.8266  314.508   8.1946 -9.755035 12.04413 
1 1 1    6   18   43 o  153.779   7.6945   64.106   6.2796   69.084   10.009   60.875   8.0641  158.456   11.690  149.103   10.009 9.352600 15.38908 
1 1 1    6   18   44 o  213.488   6.4684  125.318   7.3630  120.022   11.234  129.307   9.7490  209.284   9.9336  217.693   8.2876 -8.408783 12.93680 
1 1 1    6   18   45 o  128.286   11.178   43.026   6.6704   52.860   14.025   40.151   7.5830  135.967   19.089  120.606   11.636 15.36144 22.35547 
1 1 1    6   18   46 o  357.466   7.1550  350.790   13.563  346.938   17.531  356.531   21.406  355.644   9.1223  359.288   11.026 -3.644012 14.31006 
1 1 1    6   18   47 o  129.549   9.4940   47.022   6.6062   46.139   9.8376   47.748   8.9154  128.177   14.203  130.922   12.602 -2.744888 18.98810 
1 1 1    6   18   48 o  239.491   8.2531  157.292   10.681   0.0000   0.0000  157.292   10.681  ?   ?   239.491   8.2531      ?      ? 
1 1 1    6   18   49 o  125.401   9.4330   46.389   6.0420   34.885   9.3985   54.492   7.8879  110.524   15.737  140.278   10.406 -29.75466 18.86605 
1 1 1    6   18   50 o   57.736   13.295   9.4979   5.4192   0.4124   8.8300   14.988   6.8640   45.165   19.578   70.307   17.992 -25.14166 26.58994 
1 1 1    6   18   51 o   65.542   13.413   13.628   5.5514   5.0400   8.8706   19.157   7.1175   51.346   20.721   79.737   17.036 -28.39118 26.82534 
1 1 1    6   18   52 o   66.431   14.184   13.972   5.6979   9.4661   8.9535   17.038   7.3866   58.511   21.532   74.350   18.469 -15.83931 28.36731 
1 1 1    6   18   53 o  225.375   6.4845  140.369   7.8434  144.873   11.877  136.885   10.445  228.274   9.6283  222.475   8.6886 5.799332 12.96904 
1 1 1    6   18   54 o  262.925   6.3716  192.850   9.0039  183.154   13.219  201.243   12.298  256.290   9.5450  269.560   8.4428 -13.27042 12.74316 
1 1 1    6   18   55 o  131.151   9.3417   49.752   6.5541   49.768   9.9742   49.740   8.6947  130.539   14.140  131.762   12.212 -1.223694 18.68338 
1 1 1    6   18   56 o   64.269   15.345   13.438   6.2810   14.782   9.5606   12.417   8.3311   66.534   22.435   62.005   20.942 4.528721 30.69015 
1 1 1    6   18   57 o  175.862   12.208   88.638   11.602   88.638   11.602   0.0000   0.0000  175.862   12.208  ?   ?       ?      ? 
1 1 1    6   18   58 o  110.716   12.529   38.727   6.8252   65.065   10.508   19.505   8.9768  147.650   13.170   73.782   21.318 73.86816 25.05759 
1 1 1    6   18   59 o   77.939   19.413   25.469   10.184   26.374   13.881   24.414   14.986   79.947   27.032   75.932   27.870 4.014305 38.82594 
1 1 1    6   18   60 o   53.845   16.222   3.7952   9.7158   19.568   13.125 -15.3221   14.450   67.588   25.813   40.103   19.656 27.48504 32.44500 
1 1 1    6   19    0 o  660.612   8.6664  1180.35   30.929  1161.14   43.179  1200.60   44.325  655.096   12.198  666.127   12.314 -11.03101 17.33270 
1 1 1    6   19    1 o  814.288   12.411  1798.08   51.571  1792.79   88.939  1800.76   63.299  812.990   20.245  815.586   14.363 -2.596008 24.82251 
1 1 1    6   19    2 o  362.615   6.7306  357.617   11.851  350.901   22.262  360.273   13.999  360.155   11.439  365.074   7.0963 -4.919373 13.46117 
1 1 1    6   19    3 o  818.804   10.295  1813.29   45.552   0.0000   0.0000  1813.29   45.552  ?   ?   818.804   10.295      ?      ? 
1 1 1    6   19    4 o  574.713   7.8818  892.951   24.477   0.0000   0.0000  892.951   24.477  ?   ?   574.713   7.8818      ?      ? 
1 1 1    6   19    5 o  612.372   11.864  1014.63   39.258   0.0000   0.0000  1014.63   39.258  ?   ?   612.372   11.864      ?      ? 
1 1 1    6   19    6 o  265.699   6.5539  190.823   9.4097   0.0000   0.0000  190.823   9.4097  ?   ?   265.699   6.5539      ?      ? 
1 1 1    6   19    7 o  635.814   11.678  1093.84   40.122   0.0000   0.0000  1093.84   40.122  ?   ?   635.814   11.678      ?      ? 
1 1 1    6   19    8 o  479.917   9.6037  622.927   24.905   0.0000   0.0000  622.927   24.905  ?   ?   479.917   9.6037      ?      ? 
1 1 1    6   19    9 o  286.691   8.3510  222.248   12.937   0.0000   0.0000  222.248   12.937  ?   ?   286.691   8.3510      ?      ? 
1 1 1    6   19   10 o  494.436   7.2431  660.924   19.352   0.0000   0.0000  660.924   19.352  ?   ?   494.436   7.2431      ?      ? 
1 1 1    6   19   11 o  151.547   10.258   62.131   8.4003   0.0000   0.0000   62.131   8.4003  ?   ?   151.547   10.258      ?      ? 
1 1 1    6   19   12 o   79.387   13.015   12.203   6.4046   35.203   10.992   0.3818   7.8804  113.926   17.856   44.849   18.940 69.07698 26.02984 
1 1 1    6   19   13 o  654.865   9.8807  1152.72   30.089  1178.38   61.055  1144.49   34.580  659.260   17.139  650.469   9.8380 8.790649 19.76143 
1 1 1    6   19   15 o  144.674   9.8039   56.878   7.6280   59.037   10.417   54.382   11.201  147.664   13.055  141.684   14.630 5.979721 19.60775 
1 1 1    6   19   16 o  637.621   10.438  1099.43   33.937  1094.97   41.567  1108.33   58.774  635.991   12.095  639.252   17.015 -3.260498 20.87570 
1 1 1    6   19   17 o  790.556   12.416  1674.85   49.296  1640.24   59.301  1752.25   88.684  778.093   14.104  803.019   20.438 -24.92633 24.83185 
1 1 1    6   19   18 o  591.148   16.117  947.523   51.482  947.523   51.482   0.0000   0.0000  591.148   16.117  ?   ?       ?      ? 
1 1 1    6   19   19 o  533.850   9.2722  755.546   24.742  814.640   45.219  730.296   29.559  548.205   15.265  519.496   10.530 28.70911 18.54434 
1 1 1    6   19   20 f  636.707   12.040  1097.81   41.424   0.0000   0.0000  1097.81   41.424  ?   ?   636.707   12.040      ?      ? 
1 1 1    6   19   21 o  489.639   7.2728  648.985   19.242  644.915   27.250  653.032   27.175  488.104   10.332  491.174   10.239 -3.070709 14.54561 
1 1 1    6   19   22 o  363.835   9.2144  358.206   18.116   0.0000   0.0000  358.206   18.116  ?   ?   363.835   9.2144      ?      ? 
1 1 1    6   19   24 o  313.234   9.0508  265.563   15.319   0.0000   0.0000  265.563   15.319  ?   ?   313.234   9.0508      ?      ? 
1 1 1    6   19   25 o  427.609   6.7732  494.943   15.646  478.919   21.885  511.695   22.377  420.528   9.6308  434.691   9.5263 -14.16269 13.54635 
1 1 1    6   19   26 o   90.021   13.781   22.801   6.9713   9.4157   9.6962   37.124   10.030   63.216   22.522  116.826   15.888 -53.61046 27.56213 
1 1 1    6   19   27 o  114.304   11.488   35.573   7.0924   35.239   10.164   35.889   9.9013  113.766   16.534  114.842   15.955 -1.075333 22.97684 
1 1 1    6   19   28 o  189.990   7.8299   98.660   7.9628   91.012   11.816  105.025   10.778  183.133   11.940  196.848   10.133 -13.71439 15.65989 
1 1 1    6   19   29 o  536.653   10.533  781.182   30.544   0.0000   0.0000  781.182   30.544  ?   ?   536.653   10.533      ?      ? 
1 1 1    6   19   30 o  180.626   7.7639   89.004   7.5409   81.562   10.883   95.876   10.458  173.276   11.623  187.975   10.296 -14.69907 15.52771 
1 1 1    6   19   31 o  122.970   25.735   43.514   16.552   43.514   16.552   0.0000   0.0000  122.970   25.735  ?   ?       ?      ? 
1 1 1    6   19   32 o  367.146   9.1273  365.981   17.986  310.586   24.712  428.378   26.228  337.547   13.549  396.745   12.234 -59.19852 18.25455 
1 1 1    6   19   33 o  142.414   13.233   57.116   9.5621   52.027   16.233   59.820   11.833  136.936   21.937  147.893   14.807 -10.95688 26.46663 
1 1 1    6   19   34 o  164.411   11.697   73.813   9.7376   75.721   17.146   72.905   11.831  165.485   19.174  163.337   13.404 2.148788 23.39453 
1 1 1    6   19   35 o  248.568   11.013  168.243   14.792   0.0000   0.0000  168.243   14.792  ?   ?   248.568   11.013      ?      ? 
1 1 1    6   19   36 o  172.000   7.6785   79.788   7.0410   85.504   11.040   75.869   9.1417  177.046   11.540  166.955   10.133 10.09088 15.35705 
1 1 1    6   19   37 o  176.061   7.5056   84.981   7.0539   81.496   10.723   87.639   9.3655  172.721   11.489  179.401   9.6609 -6.680664 15.01118 
1 1 1    6   19   38 o  160.309   7.8075   69.707   6.6704   73.289   10.435   67.233   8.6738  163.636   11.801  156.982   10.225 6.654160 15.61502 
1 1 1    6   19   39 o  207.605   6.6959  118.007   7.4040  114.253   11.379  120.764   9.7507  204.562   10.294  210.649   8.5662 -6.087067 13.39186 
1 1 1    6   19   40 o  211.527   8.6486  121.878   9.8855   0.0000   0.0000  121.878   9.8855  ?   ?   211.527   8.6486      ?      ? 
1 1 1    6   19   41 o  134.663   8.9947   51.765   6.2958   41.286   9.6633   59.493   8.2987  121.953   14.664  147.373   10.421 -25.41965 17.98944 
1 1 1    6   19   42 o  293.344   8.1588  234.640   12.933   0.0000   0.0000  234.640   12.933  ?   ?   293.344   8.1588      ?      ? 
1 1 1    6   19   43 o  257.837   6.1535  181.924   8.5272  178.856   12.676  184.460   11.525  255.688   9.1742  259.987   8.2035 -4.298187 12.30705 
1 1 1    6   19   44 o  411.009   9.0315  462.760   20.059   0.0000   0.0000  462.760   20.059  ?   ?   411.009   9.0315      ?      ? 
1 1 1    6   19   45 o  173.361   9.8359   79.093   7.6750   93.626   16.789   75.254   8.6295  181.259   17.141  165.462   9.6516 15.79668 19.67182 
1 1 1    6   19   46 o   58.276   14.883   9.1053   6.3472  -4.3716   13.345   13.045   7.2156   50.414   22.819   66.138   19.113 -15.72378 29.76616 
1 1 1    6   19   47 o   93.158   13.317   26.177   6.4402   24.483   9.5919   27.568   8.6902   89.654   20.274   96.661   17.271 -7.007217 26.63362 
1 1 1    6   19   48 o  142.023   10.728   55.989   8.2334   0.0000   0.0000   55.989   8.2334  ?   ?   142.023   10.728      ?      ? 
1 1 1    6   19   49 o   85.290   13.072   22.773   5.8014   17.878   9.4446   25.739   7.3518   75.507   21.880   95.074   14.310 -19.56692 26.14451 
1 1 1    6   19   50 o  115.653   11.030   41.014   6.2228   31.833   10.063   46.698   7.9183  102.213   18.916  129.093   11.351 -26.88059 22.06028 
1 1 1    6   19   51 o   46.912   13.685   2.7926   5.8781  -3.3909   9.5101   6.6153   7.4775   42.207   19.167   51.617   19.538 -9.410416 27.37010 
1 1 1    6   19   52 o  216.324   6.7769  130.700   7.8472  126.200   11.812  134.256   10.499  212.502   10.286  220.147   8.8258 -7.644974 13.55371 
1 1 1    6   19   53 o   60.215   14.941   10.626   5.9696   13.293   9.2331   8.7106   7.8250   64.992   22.046   55.438   20.170 9.553886 29.88103 
1 1 1    6   19   54 o  124.820   10.042   45.656   6.6476   45.775   10.413   45.574   8.6365  123.988   15.542  125.652   12.720 -1.663681 20.08376 
1 1 1    6   19   55 o  118.739   10.362   41.820   6.5376   40.043   10.038   43.129   8.6153  115.515   16.081  121.963   13.072 -6.448044 20.72428 
1 1 1    6   19   56 o  136.895   9.7840   54.456   7.0978   55.479   11.196   53.769   9.1778  136.992   15.125  136.798   12.416 0.1936798 19.56800 
1 1 1    6   19   57 o  125.185   14.723   51.460   8.9204   47.355   10.625   61.261   16.420  122.804   16.012  127.566   24.712 -4.761406 29.44610 
1 1 1    6   19   58 o   50.109   15.958   1.6795   9.2279   5.6667   12.574  -2.9752   13.586   53.146   23.196   47.072   21.922 6.073231 31.91606 
1 1 1    6   19   59 o   54.375   16.525   1.5587   9.6797 -14.4504   12.762   23.243   14.853   37.850   18.535   70.900   27.363 -33.05030 33.04959 
1 1 1    6   20    0 o  405.996   7.2561  444.976   14.129  447.973   27.248  443.874   16.524  406.810   12.395  405.182   7.5471 1.627350 14.51220 
1 1 1    6   20    1 o  335.040   7.0195  307.382   12.244  289.189   19.904  318.457   15.530  326.909   11.268  343.171   8.3746 -16.26242 14.03898 
1 1 1    6   20    2 o  226.841   8.4821  139.149   10.397   0.0000   0.0000  139.149   10.397  ?   ?   226.841   8.4821      ?      ? 
1 1 1    6   20    3 o  354.809   6.5283  340.309   12.517   0.0000   0.0000  340.309   12.517  ?   ?   354.809   6.5283      ?      ? 
1 1 1    6   20    4 o  176.102   8.9712   83.871   8.5370   0.0000   0.0000   83.871   8.5370  ?   ?   176.102   8.9712      ?      ? 
1 1 1    6   20    5 o  811.893   10.314  1783.25   45.248   0.0000   0.0000  1783.25   45.248  ?   ?   811.893   10.314      ?      ? 
1 1 1    6   20    6 o  947.603   11.788  2430.13   60.362   0.0000   0.0000  2430.13   60.362  ?   ?   947.603   11.788      ?      ? 
1 1 1    6   20    7 o  190.788   9.8326   98.460   10.137   0.0000   0.0000   98.460   10.137  ?   ?   190.788   9.8326      ?      ? 
1 1 1    6   20    8 f  278.421   10.925  209.739   16.437   0.0000   0.0000  209.739   16.437  ?   ?   278.421   10.925      ?      ? 
1 1 1    6   20    9 o  257.216   6.9999  178.858   9.7292   0.0000   0.0000  178.858   9.7292  ?   ?   257.216   6.9999      ?      ? 
1 1 1    6   20   10 o  321.536   8.4278  279.577   14.643   0.0000   0.0000  279.577   14.643  ?   ?   321.536   8.4278      ?      ? 
1 1 1    6   20   11 o  539.183   7.7043  786.083   22.447   0.0000   0.0000  786.083   22.447  ?   ?   539.183   7.7043      ?      ? 
1 1 1    6   20   12 o  593.523   9.1952  959.376   25.918  942.568   50.442  965.405   30.211  589.643   15.831  597.403   9.3587 -7.760132 18.39046 
1 1 1    6   20   13 o  483.444   8.1253  634.956   18.645  627.703   36.376  637.542   21.715  481.353   13.985  485.535   8.2766 -4.181946 16.25054 
1 1 1    6   20   14 o  731.691   11.601  1440.67   43.048  1484.01   75.745  1419.99   52.318  739.307   18.960  724.076   13.372 15.23053 23.20107 
1 1 1    6   20   15 o  413.919   8.5543  465.958   18.245  470.982   22.686  456.757   30.701  417.222   10.062  410.616   13.837 6.606445 17.10851 
1 1 1    6   20   16 o  256.867   8.9569  178.624   11.815  178.470   14.592  178.919   20.135  256.801   10.515  256.933   14.503 -0.1323547 17.91376 
1 1 1    6   20   17 o  650.402   10.575  1145.43   35.130  1152.70   60.607  1141.75   43.110  651.560   17.214  649.243   12.288 2.316772 21.14986 
1 1 1    6   20   18 o  341.871   13.994  316.892   25.852  316.892   25.852   0.0000   0.0000  341.871   13.994  ?   ?       ?      ? 
1 1 1    6   20   20 o  676.850   8.9462  1240.76   32.709  1213.94   45.532  1269.36   47.020  669.306   12.589  684.394   12.714 -15.08887 17.89240 
1 1 1    6   20   21 f  539.357   10.757  787.914   31.350   0.0000   0.0000  787.914   31.350  ?   ?   539.357   10.757      ?      ? 
1 1 1    6   20   22 o  367.893   6.7042  366.525   13.319  348.991   18.742  384.413   18.930  358.987   9.6615  376.798   9.2973 -17.81046 13.40835 
1 1 1    6   20   23 o  266.926   6.9360  193.294   9.9882  183.186   14.252  203.051   14.002  260.034   10.143  273.819   9.4633 -13.78485 13.87203 
1 1 1    6   20   24 o  702.855   12.914  1340.83   49.049   0.0000   0.0000  1340.83   49.049  ?   ?   702.855   12.914      ?      ? 
1 1 1    6   20   25 o  276.314   9.4473  206.823   14.106   0.0000   0.0000  206.823   14.106  ?   ?   276.314   9.4473      ?      ? 
1 1 1    6   20   27 o  228.382   7.2239  140.800   8.8857  149.493   13.236  133.667   11.989  234.750   10.434  222.014   9.9935 12.73582 14.44782 
1 1 1    6   20   28 o  155.666   13.951   67.454   11.203   63.221   18.544   69.887   14.059  151.371   22.671  159.961   16.264 -8.589233 27.90179 
1 1 1    6   20   29 o  132.102   16.834   60.620   10.938   18.286   17.671   86.914   13.927   85.677   30.417  178.526   14.436 -92.84866 33.66883 
1 1 1    6   20   30 o  330.563   9.4835  300.895   16.762  261.712   24.336  336.261   23.121  309.622   14.546  351.504   12.172 -41.88242 18.96695 
1 1 1    6   20   31 o  205.949   11.183  120.933   11.834   97.883   18.818  136.014   15.221  188.531   18.472  223.368   12.610 -34.83768 22.36564 
1 1 1    6   20   32 o  273.745   7.5806  200.458   10.925  189.393   13.797  219.054   17.886  263.976   9.6724  283.513   11.675 -19.53680 15.16112 
1 1 1    6   20   33 o  102.905   12.263   29.257   6.5923   36.463   9.8709   23.454   8.8571  115.242   15.851   90.568   18.717 24.67380 24.52690 
1 1 1    6   20   34 o  235.444   6.5966  149.189   8.3319  162.995   12.747  138.889   11.009  244.811   9.6355  226.076   9.0120 18.73470 13.19317 
1 1 1    6   20   35 o  288.792   6.3515  227.628   9.8718  215.116   14.363  238.831   13.591  281.141   9.4544  296.442   8.4842 -15.30148 12.70306 
1 1 1    6   20   36 o  320.483   8.4056  279.306   14.557   0.0000   0.0000  279.306   14.557  ?   ?   320.483   8.4056      ?      ? 
1 1 1    6   20   37 o  271.122   6.3258  200.170   9.2021  200.062   13.857  200.255   12.308  270.931   9.4652  271.313   8.3949 -0.3818054 12.65162 
1 1 1    6   20   38 o   62.779   14.868   10.472   6.1786   5.6897   9.2462   14.331   8.3050   55.082   21.497   70.476   20.546 -15.39376 29.73598 
1 1 1    6   20   39 o  240.296   6.5545  158.790   8.4317  147.201   12.522  168.402   11.404  232.016   9.9880  248.575   8.4904 -16.55859 13.10906 
1 1 1    6   20   40 o  189.567   7.3528  100.759   7.3542   83.056   10.968  115.221   9.9129  173.732   11.683  205.402   8.9312 -31.66966 14.70560 
1 1 1    6   20   41 o  364.047   8.7204  362.005   17.155   0.0000   0.0000  362.005   17.155  ?   ?   364.047   8.7204      ?      ? 
1 1 1    6   20   42 o   88.197   13.189   22.258   6.0022   26.891   9.5635   19.247   7.7097   95.528   19.193   80.865   18.096 14.66273 26.37832 
1 1 1    6   20   43 f  149.354   8.4789   63.741   6.5780   53.306   10.302   70.925   8.5474  138.094   13.805  160.614   9.8483 -22.52028 16.95787 
1 1 1    6   20   44 o   91.347   12.752   24.024   5.9698   28.160   9.5683   21.387   7.6390   97.437   18.854   85.257   17.175 12.17933 25.50435 
1 1 1    6   20   45 o   93.010   12.500   25.540   5.9790   24.442   9.5575   26.246   7.6639   89.699   20.204   96.321   14.724 -6.621964 24.99990 
1 1 1    6   20   46 o  209.004   9.2543  130.451   8.9366  106.261   17.046  139.620   10.494  192.567   16.382  225.442   8.6146 -32.87521 18.50854 
1 1 1    6   20   47 o  181.158   9.2976   90.575   9.1016   0.0000   0.0000   90.575   9.1016  ?   ?   181.158   9.2976      ?      ? 
1 1 1    6   20   48 o  105.745   12.235   32.602   6.7270   41.472   10.086   25.495   9.0282  120.016   15.553   91.475   18.890 28.54085 24.46908 
1 1 1    6   20   49 o  238.762   8.6344  157.424   11.140   0.0000   0.0000  157.424   11.140  ?   ?   238.762   8.6344      ?      ? 
1 1 1    6   20   50 o  228.659   6.7531  145.808   8.2489  139.906   12.493  150.370   10.984  224.029   10.320  233.289   8.7129 -9.259842 13.50610 
1 1 1    6   20   51 o  137.477   13.885   54.408   10.315   54.408   10.315   0.0000   0.0000  137.477   13.885  ?   ?       ?      ? 
1 1 1    6   20   52 f  150.339   8.6190   64.483   6.8839   63.234   10.680   65.370   9.0035  148.353   13.323  152.325   10.938 -3.972244 17.23805 
1 1 1    6   20   53 o   52.067   14.623   6.8361   6.1208   6.2512   9.3451   7.2754   8.1001   52.004   21.167   52.130   20.182 -0.1261177 29.24640 
1 1 1    6   20   54 o  128.845   9.9476   48.356   6.8484   50.078   10.556   47.105   8.9993  130.131   15.012  127.559   13.056 2.571892 19.89515 
1 1 1    6   20   55 o   44.996   13.997   0.7941   6.5225  -0.1652   10.207   1.4562   8.4798   45.726   20.384   44.266   19.187 1.459946 27.99389 
1 1 1    6   20   56 o   62.000   18.157   14.510   9.8280   13.126   12.820   16.482   15.306   60.051   24.656   63.948   26.661 -3.897350 36.31418 
1 1 1    6   20   57 o   69.529   18.916   18.636   9.8027   16.106   12.498   22.680   15.803   65.732   25.168   73.325   28.245 -7.593536 37.83146 
1 1 1    6   20   58 o   54.598   16.343   3.5159   9.1441 -10.4414   11.992   22.905   14.134   38.519   18.659   70.678   26.836 -32.15900 32.68532 
1 1 1    6   21    0 o  383.467   7.5606  400.688   15.105  387.162   24.696  408.773   19.093  378.180   12.085  388.754   9.0889 -10.57428 15.12110 
1 1 1    6   21    1 o  313.834   6.9490  254.551   10.618  293.919   20.616  240.339   12.387  329.533   11.577  298.135   7.6889 31.39819 13.89798 
1 1 1    6   21    2 o  613.906   8.4478  1019.24   28.024   0.0000   0.0000  1019.24   28.024  ?   ?   613.906   8.4478      ?      ? 
1 1 1    6   21    3 o  371.956   6.9674  374.045   14.004   0.0000   0.0000  374.045   14.004  ?   ?   371.956   6.9674      ?      ? 
1 1 1    6   21    4 o  526.112   10.377  748.944   29.500   0.0000   0.0000  748.944   29.500  ?   ?   526.112   10.377      ?      ? 
1 1 1    6   21    5 o  200.557   8.2848  108.779   8.9786   0.0000   0.0000  108.779   8.9786  ?   ?   200.557   8.2848      ?      ? 
1 1 1    6   21    6 o  425.911   6.9987  490.442   16.107   0.0000   0.0000  490.442   16.107  ?   ?   425.911   6.9987      ?      ? 
1 1 1    6   21    7 o  335.719   10.863  305.009   19.707   0.0000   0.0000  305.009   19.707  ?   ?   335.719   10.863      ?      ? 
1 1 1    6   21    8 o  720.182   9.4697  1403.06   36.853   0.0000   0.0000  1403.06   36.853  ?   ?   720.182   9.4697      ?      ? 
1 1 1    6   21    9 o  577.631   11.667  903.176   36.416   0.0000   0.0000  903.176   36.416  ?   ?   577.631   11.667      ?      ? 
1 1 1    6   21   10 o  472.520   8.7823  603.907   22.424   0.0000   0.0000  603.907   22.424  ?   ?   472.520   8.7823      ?      ? 
1 1 1    6   21   11 o   71.115   19.958   14.121   7.9827   0.0000   0.0000   14.121   7.9827  ?   ?    71.115   19.958      ?      ? 
1 1 1    6   21   12 o  617.101   8.4782  1030.09   28.271   0.0000   0.0000  1030.09   28.271  ?   ?   617.101   8.4782      ?      ? 
1 1 1    6   21   13 o  649.221   10.008  1119.85   29.767  1186.26   62.254  1100.17   33.892  660.864   17.433  637.578   9.8373 23.28595 20.01696 
1 1 1    6   21   14 o  475.166   8.7276  619.644   21.378  584.459   35.562  639.557   26.752  464.257   14.175  486.074   10.185 -21.81689 17.45513 
1 1 1    6   21   15 o  458.847   14.295  570.946   35.444   0.0000   0.0000  570.946   35.444  ?   ?   458.847   14.295      ?      ? 
1 1 1    6   21   16 o  526.810   14.936  752.928   42.518  752.928   42.518   0.0000   0.0000  526.810   14.936  ?   ?       ?      ? 
1 1 1    6   21   17 o  252.353   13.178  172.658   17.970  172.658   17.970   0.0000   0.0000  252.353   13.178  ?   ?       ?      ? 
1 1 1    6   21   18 o  483.733   7.3532  633.649   19.218  618.296   26.977  649.468   27.384  477.780   10.449  489.687   10.349 -11.90747 14.70649 
1 1 1    6   21   20 o  542.276   7.7486  796.980   22.703  800.760   32.376  793.323   31.845  543.531   11.023  541.022   10.893 2.509399 15.49723 
1 1 1    6   21   21 o  429.340   6.9939  497.510   16.196  465.006   22.133  534.974   23.762  414.301   9.8863  444.378   9.8954 -30.07654 13.98779 
1 1 1    6   21   22 o  414.043   6.8909  462.496   15.384  432.753   20.951  497.293   22.662  399.665   9.7012  428.422   9.7890 -28.75650 13.78179 
1 1 1    6   21   24 o  360.364   9.7240  353.535   18.919  339.414   26.907  367.342   26.606  353.180   14.099  367.549   13.396 -14.36935 19.44796 
1 1 1    6   21   25 o  347.416   9.7864  329.906   18.254  315.315   27.043  342.117   24.740  340.160   14.712  354.671   12.909 -14.51022 19.57275 
1 1 1    6   21   26 o  131.522   17.080   46.524   11.669   60.428   19.035   38.153   14.769  147.756   23.840  115.288   24.465 32.46796 34.15998 
1 1 1    6   21   27 o  122.994   17.895   46.043   11.326   30.833   18.163   55.721   14.488  103.550   30.440  142.438   18.823 -38.88800 35.79027 
1 1 1    6   21   28 o  322.569   12.346  283.333   21.520   0.0000   0.0000  283.333   21.520  ?   ?   322.569   12.346      ?      ? 
1 1 1    6   21   29 o  229.269   7.2163  142.844   8.9251  143.753   13.025  142.039   12.255  229.918   10.483  228.621   9.9196 1.297318 14.43266 
1 1 1    6   21   30 o  128.911   10.722   46.284   7.3446   39.780   10.889   51.713   9.9487  120.262   16.755  137.560   13.384 -17.29788 21.44463 
1 1 1    6   21   31 o  355.614   8.9845  343.469   17.265   0.0000   0.0000  343.469   17.265  ?   ?   355.614   8.9845      ?      ? 
1 1 1    6   21   32 o  252.813   6.7779  174.511   9.2193  164.010   13.410  183.924   12.696  245.479   10.109  260.147   9.0313 -14.66791 13.55582 
1 1 1    6   21   33 o  385.985   6.5645  405.733   13.679  394.344   19.587  416.578   19.112  380.622   9.5231  391.349   9.0377 -10.72717 13.12895 
1 1 1    6   21   34 o  203.433   9.7773  112.797   10.748   0.0000   0.0000  112.797   10.748  ?   ?   203.433   9.7773      ?      ? 
1 1 1    6   21   35 o  201.844   9.6498  111.074   10.525   0.0000   0.0000  111.074   10.525  ?   ?   201.844   9.6498      ?      ? 
1 1 1    6   21   36 o  184.002   9.9047   92.411   9.8481   0.0000   0.0000   92.411   9.8481  ?   ?   184.002   9.9047      ?      ? 
1 1 1    6   21   37 f  300.353   8.5228  245.823   13.833   0.0000   0.0000  245.823   13.833  ?   ?   300.353   8.5228      ?      ? 
1 1 1    6   21   38 o  246.677   6.6352  167.716   8.7657  146.287   12.631  187.627   12.175  231.118   10.114  262.236   8.5919 -31.11844 13.27045 
1 1 1    6   21   39 o  172.078   7.8407   82.443   7.1886   72.661   10.661   90.598   9.7342  162.300   12.157  181.857   9.9056 -19.55687 15.68130 
1 1 1    6   21   40 o  198.074   7.2325  107.782   7.6588  107.155   11.691  108.253   10.137  197.335   10.964  198.812   9.4356 -1.476303 14.46502 
1 1 1    6   21   41 o   73.133   13.183   12.185   6.1540   30.941   9.9408   0.5309   7.8360  102.624   18.611   43.642   18.674 58.98214 26.36502 
1 1 1    6   21   42 o   82.459   14.108   20.967   6.1993   17.180   9.7646   23.524   8.0237   75.354   22.364   89.564   17.204 -14.21048 28.21571 
1 1 1    6   21   43 o  158.671   8.2095   70.437   6.9159   66.810   10.661   73.072   9.0878  154.672   12.755  162.669   10.339 -7.997116 16.41899 
1 1 1    6   21   44 o   49.295   14.024   1.7104   5.9497   9.8932   9.4780  -3.6110   7.6433   60.847   22.189   37.744   17.157 23.10358 28.04874 
1 1 1    6   21   45 o   59.618   14.790   9.9164   5.8217   9.5755   9.2817   10.137   7.4749   59.900   21.941   59.336   19.838 0.5638695 29.57952 
1 1 1    6   21   46 f  175.534   7.7833   86.012   7.2259   85.178   11.409   86.570   9.3374  174.254   12.116  176.814   9.7729 -2.559845 15.56656 
1 1 1    6   21   47 o   70.266   17.740   13.415   6.9557   18.018   17.036   12.495   7.6197   76.524   29.365   64.009   19.912 12.51432 35.47916 
1 1 1    6   21   48 o  160.268   9.1169   72.403   7.8281   60.396   10.670   86.396   11.520  145.558   13.566  174.978   12.183 -29.41968 18.23376 
1 1 1    6   21   49 o  220.396   11.017  136.149   13.120   0.0000   0.0000  136.149   13.120  ?   ?   220.396   11.017      ?      ? 
1 1 1    6   21   50 o  257.262   6.7018  185.911   9.2326  162.856   13.316  207.251   12.812  241.141   10.220  273.384   8.6727 -32.24274 13.40351 
1 1 1    6   21   51 o  179.151   7.9667   92.414   7.5392   81.235   11.468  100.924   10.005  168.414   12.601  189.888   9.7509 -21.47401 15.93343 
1 1 1    6   21   52 o   49.868   14.600   4.8289   6.2632   6.8459   10.175   3.5983   7.9474   53.753   22.006   45.982   19.194 7.770676 29.20059 
1 1 1    6   21   53 o  121.523   11.503   45.937   7.0229   36.384   10.720   53.120   9.2955  107.233   19.205  135.813   12.666 -28.57948 23.00593 
1 1 1    6   21   54 f   72.752   16.860   19.791   8.8636   27.161   10.709   3.7613   15.794   88.939   22.319   56.565   25.276 32.37439 33.71910 
1 1 1    6   21   55 o  141.692   15.605   73.050   11.102   88.131   15.187   55.743   16.269  165.204   17.012  118.179   26.167 47.02523 31.21085 
1 1 1    6   21   56 o  203.224   11.728  131.031   12.656  142.950   17.101  116.599   18.818  216.759   14.600  189.689   18.358 27.06990 23.45610 
1 1 1    6   21   57 o   69.250   15.716   13.752   7.2275   36.194   12.795   3.2358   8.7586   94.286   24.787   44.215   19.327 50.07087 31.43120 
1 1 1    6   22    0 o  327.919   7.3366  299.691   11.857  269.369   21.209  313.477   14.300  315.374   12.445  340.464   7.7730 -25.09024 14.67320 
1 1 1    6   22    1 o   89.722   16.430   22.523   7.6723   0.0000   0.0000   22.523   7.6723  ?   ?    89.722   16.430      ?      ? 
1 1 1    6   22    2 o  529.242   8.9674  757.740   25.645   0.0000   0.0000  757.740   25.645  ?   ?   529.242   8.9674      ?      ? 
1 1 1    6   22    3 o   60.046   19.928   9.2890   7.5463   0.0000   0.0000   9.2890   7.5463  ?   ?    60.046   19.928      ?      ? 
1 1 1    6   22    4 o  340.216   6.9967  312.983   12.863   0.0000   0.0000  312.983   12.863  ?   ?   340.216   6.9967      ?      ? 
1 1 1    6   22    5 o  116.157   12.723   36.555   7.9861   0.0000   0.0000   36.555   7.9861  ?   ?   116.157   12.723      ?      ? 
1 1 1    6   22    6 o  152.008   11.521   62.575   9.4630   0.0000   0.0000   62.575   9.4630  ?   ?   152.008   11.521      ?      ? 
1 1 1    6   22    7 o  573.690   12.038  891.544   37.317   0.0000   0.0000  891.544   37.317  ?   ?   573.690   12.038      ?      ? 
1 1 1    6   22    8 o  351.496   6.9761  334.104   13.250   0.0000   0.0000  334.104   13.250  ?   ?   351.496   6.9761      ?      ? 
1 1 1    6   22    9 o  106.451   14.331   30.731   8.2434   0.0000   0.0000   30.731   8.2434  ?   ?   106.451   14.331      ?      ? 
1 1 1    6   22   10 o  592.927   11.315  952.070   36.254   0.0000   0.0000  952.070   36.254  ?   ?   592.927   11.315      ?      ? 
1 1 1    6   22   11 o  421.780   7.1477  481.110   16.291   0.0000   0.0000  481.110   16.291  ?   ?   421.780   7.1477      ?      ? 
1 1 1    6   22   12 o  367.291   7.0200  364.840   13.933   0.0000   0.0000  364.840   13.933  ?   ?   367.291   7.0200      ?      ? 
1 1 1    6   22   13 o  399.221   8.0692  428.585   16.220  440.766   28.929  423.000   19.588  403.127   13.280  395.315   9.1699 7.811371 16.13842 
1 1 1    6   22   14 o  521.472   10.663  738.323   30.038  758.108   43.074  719.594   41.909  528.267   15.090  514.677   15.069 13.58966 21.32533 
1 1 1    6   22   15 o  348.454   7.6904  330.884   13.671  323.423   23.468  334.716   16.820  345.286   12.578  351.621   8.8522 -6.334229 15.38075 
1 1 1    6   22   16 o  463.895   14.037  584.459   35.186  584.459   35.186   0.0000   0.0000  463.895   14.037  ?   ?       ?      ? 
1 1 1    6   22   17 o   77.733   15.855   16.460   7.5783   25.024   10.516   7.2092   10.930   93.839   21.235   61.626   23.551 32.21315 31.71076 
1 1 1    6   22   18 o  243.095   11.012  160.216   14.466  160.216   14.466   0.0000   0.0000  243.095   11.012  ?   ?       ?      ? 
1 1 1    6   22   19 o  168.268   14.392   78.283   10.699   75.991   22.990   78.917   12.087  166.073   25.618  170.464   13.122 -4.391052 28.78349 
1 1 1    6   22   20 o  205.754   13.256  120.548   14.116   89.077   21.186  145.676   18.931  180.176   21.760  231.331   15.144 -51.15414 26.51102 
1 1 1    6   22   21 o  235.860   12.411  156.280   15.342  118.513   22.427  189.505   21.035  207.929   19.960  263.790   14.757 -55.86130 24.82295 
1 1 1    6   22   22 f   77.441   19.056   8.2534   12.248 -18.3153   18.373   29.504   16.432   53.444   25.085  101.437   28.693 -47.99267 38.11261 
1 1 1    6   22   23 f  236.108   11.374  151.954   14.443  155.653   21.602  148.964   19.423  238.591   16.755  233.626   15.385 4.965210 22.74703 
1 1 1    6   22   24 o  336.825   13.282  309.009   24.175   0.0000   0.0000  309.009   24.175  ?   ?   336.825   13.282      ?      ? 
1 1 1    6   22   25 o  386.965   6.7813  406.495   14.177  402.405   20.175  410.486   19.927  385.022   9.6970  388.909   9.4823 -3.886627 13.56266 
1 1 1    6   22   26 o  327.896   9.3249  291.906   16.522   0.0000   0.0000  291.906   16.522  ?   ?   327.896   9.3249      ?      ? 
1 1 1    6   22   27 o  139.210   10.059   53.064   7.5610   51.236   10.768   54.842   10.619  136.801   14.567  141.619   13.877 -4.818802 20.11837 
1 1 1    6   22   28 o   68.062   15.505   11.925   6.9111   18.539   9.6837   5.0599   9.8663   80.281   21.772   55.842   22.080 24.43870 31.00911 
1 1 1    6   22   29 o  316.414   9.0039  271.970   15.395   0.0000   0.0000  271.970   15.395  ?   ?   316.414   9.0039      ?      ? 
1 1 1    6   22   30 o  139.342   9.9683   53.704   7.4348   48.541   10.932   58.147   10.141  132.886   15.224  145.798   12.872 -12.91249 19.93658 
1 1 1    6   22   31 o  216.202   7.2691  128.346   8.3851  104.670   11.814  152.381   11.903  195.789   11.167  236.614   9.3096 -40.82469 14.53828 
1 1 1    6   22   32 o   60.811   14.861   8.4748   6.6327  -0.7109   10.078   15.494   8.8097   48.322   20.931   73.300   21.101 -24.97840 29.72127 
1 1 1    6   22   33 o  239.574   6.9537  155.696   8.9513  164.232   13.527  149.046   11.939  245.297   10.205  233.850   9.4483 11.44664 13.90735 
1 1 1    6   22   34 o  391.452   9.1304  417.636   19.313   0.0000   0.0000  417.636   19.313  ?   ?   391.452   9.1304      ?      ? 
1 1 1    6   22   35 o   97.390   13.335   29.215   6.7231   15.724   9.9663   40.480   9.1074   73.754   22.744  121.025   13.926 -47.27074 26.66926 
1 1 1    6   22   36 o   61.210   15.189   9.3521   6.3025   13.190   9.3372   6.1403   8.5419   68.209   22.144   54.211   20.795 13.99862 30.37738 
1 1 1    6   22   37 o  105.635   11.829   32.212   6.4424   28.943   9.8397   34.665   8.5232   99.558   18.983  111.711   14.119 -12.15263 23.65830 
1 1 1    6   22   38 o   40.495   13.028  -4.8687   6.1887  -2.3422   9.4640  -6.7562   8.1799   44.427   19.727   36.564   17.022 7.863316 26.05574 
1 1 1    6   22   39 f   59.990   15.254   9.2959   6.2644   10.081   9.4911   8.6899   8.3388   61.945   22.260   58.035   20.864 3.910854 30.50889 
1 1 1    6   22   40 o  103.905   11.878   31.202   6.4309   30.141   9.7746   32.012   8.5394  101.111   18.575  106.698   14.811 -5.587616 23.75666 
1 1 1    6   22   41 o  186.528   7.6006   96.992   7.5707   89.604   11.337  102.938   10.171  179.684   11.676  193.372   9.7337 -13.68817 15.20125 
1 1 1    6   22   42 o   66.093   15.015   13.089   6.2322   9.1541   9.6042   15.951   8.1909   59.749   22.241   72.437   20.177 -12.68799 30.02942 
1 1 1    6   22   43 o   54.402   14.804   6.0738   6.1414   10.220   9.5513   3.1516   8.0188   61.406   22.293   47.398   19.485 14.00867 29.60833 
1 1 1    6   22   44 o  131.290   9.9601   49.803   6.8812   43.788   10.583   54.208   9.0569  123.454   15.865  139.125   12.047 -15.67102 19.92029 
1 1 1    6   22   45 o  196.776   7.4174  108.629   7.7312  102.892   11.997  112.703   10.110  191.667   11.584  201.885   9.2677 -10.21788 14.83488 
1 1 1    6   22   46 o  168.670   8.2575   79.770   7.3475   80.900   11.752   79.044   9.4145  168.945   12.872  168.395   10.346 0.5497589 16.51497 
1 1 1    6   22   47 o   76.567   18.062   14.883   7.1635   29.144   16.918   11.767   7.9073   90.820   29.823   62.315   20.385 28.50514 36.12437 
1 1 1    6   22   48 o   95.257   16.410   31.820   7.4333   24.032   16.773   33.723   8.2921   82.378   29.593  108.136   14.191 -25.75822 32.81927 
1 1 1    6   22   49 o   39.605   13.019  -5.8874   6.7202  -4.3960   9.7640  -7.2297   9.2634   41.399   19.033   37.811   17.768 3.587883 26.03753 
1 1 1    6   22   50 o  127.048   10.644   49.876   6.9000   36.462   10.484   60.126   9.1647  109.071   17.788  145.024   11.695 -35.95303 21.28780 
1 1 1    6   22   51 o  136.292   13.361   54.045   9.8397   0.0000   0.0000   54.045   9.8397  ?   ?   136.292   13.361      ?      ? 
1 1 1    6   22   52 f  135.299   16.305   59.797   11.527   48.806   15.539   73.243   17.188  118.988   24.964  151.610   20.980 -32.62210 32.60935 
1 1 1    6   22   53 o  138.267   16.020   64.242   11.417   48.581   14.741   87.725   18.050  114.992   24.474  161.541   20.678 -46.54865 32.03978 
1 1 1    6   22   54 o   78.073   17.990   25.403   10.477   37.973   13.587   6.9662   16.455   99.171   25.279   56.974   25.604 42.19662 35.98049 
1 1 1    6   22   55 o  170.469   10.127   80.497   8.6962  115.338   16.303   66.641   10.281  191.632   15.744  149.306   12.743 42.32614 20.25442 
1 1 1    6   23    0 o  496.815   8.6906  664.720   22.073  681.531   38.187  656.285   27.049  501.273   14.098  492.357   10.167 8.916077 17.38128 
1 1 1    6   23    1 o  283.239   7.9321  217.020   12.140   0.0000   0.0000  217.020   12.140  ?   ?   283.239   7.9321      ?      ? 
1 1 1    6   23    2 o  148.133   10.516   59.418   8.4176   0.0000   0.0000   59.418   8.4176  ?   ?   148.133   10.516      ?      ? 
1 1 1    6   23    3 o  144.027   11.974   56.209   9.3191   0.0000   0.0000   56.209   9.3191  ?   ?   144.027   11.974      ?      ? 
1 1 1    6   23    4 o  331.553   7.0529  297.314   12.636   0.0000   0.0000  297.314   12.636  ?   ?   331.553   7.0529      ?      ? 
1 1 1    6   23    5 o  500.211   11.380  677.935   30.760   0.0000   0.0000  677.935   30.760  ?   ?   500.211   11.380      ?      ? 
1 1 1    6   23    6 o  173.563   9.4394   81.555   8.8530   0.0000   0.0000   81.555   8.8530  ?   ?   173.563   9.4394      ?      ? 
1 1 1    6   23    7 o  317.903   8.9742  273.578   15.416   0.0000   0.0000  273.578   15.416  ?   ?   317.903   8.9742      ?      ? 
1 1 1    6   23    8 f  376.345   7.0547  383.149   14.347   0.0000   0.0000  383.149   14.347  ?   ?   376.345   7.0547      ?      ? 
1 1 1    6   23    9 o  276.389   7.9432  206.729   11.863   0.0000   0.0000  206.729   11.863  ?   ?   276.389   7.9432      ?      ? 
1 1 1    6   23   10 o  725.593   13.847  1429.64   54.291   0.0000   0.0000  1429.64   54.291  ?   ?   725.593   13.847      ?      ? 
1 1 1    6   23   11 o  278.712   7.2633  210.175   10.939   0.0000   0.0000  210.175   10.939  ?   ?   278.712   7.2633      ?      ? 
1 1 1    6   23   12 o  481.790   8.4536  628.379   22.008   0.0000   0.0000  628.379   22.008  ?   ?   481.790   8.4536      ?      ? 
1 1 1    6   23   13 o   60.967   26.518  -2.4302   16.311   0.0000   0.0000  -2.4302   16.311  ?   ?    60.967   26.518      ?      ? 
1 1 1    6   23   14 o  286.794   9.4870  222.814   14.702   0.0000   0.0000  222.814   14.702  ?   ?   286.794   9.4870      ?      ? 
1 1 1    6   23   15 o  185.615   11.088   93.440   11.121   0.0000   0.0000   93.440   11.121  ?   ?   185.615   11.088      ?      ? 
1 1 1    6   23   16 o  183.018   20.429   91.757   20.203   0.0000   0.0000   91.757   20.203  ?   ?   183.018   20.429      ?      ? 
1 1 1    6   23   17 o  276.289   12.126  212.258   17.751  182.117   26.591  236.486   23.840  257.924   19.079  294.654   14.973 -36.72946 24.25299 
1 1 1    6   23   18 o  509.891   11.375  710.248   31.307  678.153   44.512  741.667   44.041  498.338   16.530  521.444   15.630 -23.10648 22.74935 
1 1 1    6   23   19 o  485.160   14.953  641.892   39.203   0.0000   0.0000  641.892   39.203  ?   ?   485.160   14.953      ?      ? 
1 1 1    6   23   20 o  230.789   7.5850  144.021   9.4349  130.839   12.910  159.131   13.822  219.486   10.885  242.092   10.566 -22.60626 15.17004 
1 1 1    6   23   21 o  424.443   9.7343  488.906   22.326   0.0000   0.0000  488.906   22.326  ?   ?   424.443   9.7343      ?      ? 
1 1 1    6   23   22 f   53.893   15.494   2.4522   7.2780  -2.2106   10.206   7.2774   10.382   47.398   20.787   60.387   22.982 -12.98954 30.98872 
1 1 1    6   23   23 o  103.532   14.146   30.885   7.6611   20.475   10.845   41.255   10.824   84.417   23.102  122.646   16.332 -38.22878 28.29232 
1 1 1    6   23   25 o  273.750   6.9219  203.705   10.223  203.890   14.880  203.540   14.070  273.822   10.056  273.678   9.5143 0.1432800 13.84377 
1 1 1    6   23   26 o  209.913   7.6604  119.980   8.6878  117.394   12.277  122.575   12.296  207.630   10.942  212.196   10.723 -4.565872 15.32075 
1 1 1    6   23   27 o  159.531   9.2997   69.744   7.9963   67.571   11.620   71.698   11.021  157.085   13.690  161.978   12.591 -4.892120 18.59941 
1 1 1    6   23   28 o  317.462   9.2261  274.170   15.827   0.0000   0.0000  274.170   15.827  ?   ?   317.462   9.2261      ?      ? 
1 1 1    6   23   29 o  157.478   9.0901   68.077   7.7255   65.675   11.071   70.356   10.786  154.697   13.244  160.259   12.455 -5.562347 18.18026 
1 1 1    6   23   30 o  283.666   6.7057  220.002   10.240  208.218   14.883  230.595   14.110  276.302   9.9681  291.030   8.9724 -14.72729 13.41148 
1 1 1    6   23   31 f  156.639   9.0781   66.882   7.6538   73.521   11.451   61.522   10.290  163.588   12.954  149.689   12.721 13.89832 18.15616 
1 1 1    6   23   32 o   80.906   14.722   19.602   6.8467   10.615   10.090   27.272   9.3214   64.558   22.977   97.253   18.412 -32.69505 29.44378 
1 1 1    6   23   33 o   63.187   15.089   9.8423   6.7621   1.2574   10.010   17.048   9.1709   50.202   21.282   76.171   21.397 -25.96967 30.17873 
1 1 1    6   23   34 o  152.085   9.1860   64.404   7.4608   60.084   11.210   67.840   9.9964  147.171   14.096  156.999   11.783 -9.827271 18.37204 
1 1 1    6   23   35 o   72.415   14.452   15.191   6.5912   5.0422   9.6715   23.993   9.0067   54.413   21.750   90.416   19.036 -36.00253 28.90403 
1 1 1    6   23   36 o  170.439   8.0087   80.393   7.3321   75.702   10.770   84.445   10.010  165.572   12.037  175.307   10.567 -9.734528 16.01748 
1 1 1    6   23   37 o  126.825   11.287   48.247   7.0300   31.708   10.395   62.185   9.5432  103.708   19.258  149.941   11.778 -46.23293 22.57473 
1 1 1    6   23   38 o  138.358   9.3479   53.666   6.9499   49.419   10.081   57.512   9.5942  132.836   14.045  143.880   12.340 -11.04454 18.69581 
1 1 1    6   23   39 o   86.922   14.364   22.720   6.5955   24.124   9.9012   21.600   8.8430   89.133   20.917   84.712   19.692 4.420883 28.72787 
1 1 1    6   23   40 o   57.159   14.669   6.5948   6.3631   14.937   9.4103  -0.4326   8.6369   70.306   22.169   44.012   19.217 26.29429 29.33880 
1 1 1    6   23   41 o  169.522   11.003   79.771   10.079   0.0000   0.0000   79.771   10.079  ?   ?   169.522   11.003      ?      ? 
1 1 1    6   23   42 o  102.314   12.756   32.128   6.6291   24.891   10.139   37.532   8.7614   89.551   21.268  115.077   14.089 -25.52622 25.51137 
1 1 1    6   23   43 o  112.462   11.111   37.012   6.5955   32.766   10.064   40.208   8.7322  105.828   17.598  119.095   13.569 -13.26624 22.22197 
1 1 1    6   23   44 o  152.234   8.8214   65.638   7.1658   64.065   10.945   66.818   9.4802  150.073   13.496  154.395   11.363 -4.322510 17.64272 
1 1 1    6   23   45 o  136.079   9.9910   54.483   7.1047   43.974   10.731   62.686   9.4803  122.882   16.160  149.277   11.753 -26.39514 19.98202 
1 1 1    6   23   46 o  115.455   10.839   37.937   6.6951   44.527   10.385   33.250   8.7581  123.766   15.528  107.144   15.127 16.62219 21.67811 
1 1 1    6   23   47 o  159.264   9.0161   74.762   7.4681   59.313   11.342   86.586   9.9226  142.849   14.694  175.679   10.452 -32.82959 18.03211 
1 1 1    6   23   48 o   55.649   17.028   4.4607   7.5166   7.8536   17.929   3.7372   8.2793   63.908   27.800   47.391   19.670 16.51733 34.05543 
1 1 1    6   23   49 o   74.794   24.052   19.744   11.035   19.744   11.035   0.0000   0.0000   74.794   24.052  ?   ?       ?      ? 
1 1 1    6   23   50 o  131.003   21.009   54.820   14.872   54.820   14.872   0.0000   0.0000  131.003   21.009  ?   ?       ?      ? 
1 1 1    6   23   51 o  209.962   12.043  135.569   13.477  146.329   18.248  122.658   19.989  221.598   15.239  198.327   18.652 23.27031 24.08566 
1 1 1    6   23   52 o   61.221   18.238   13.886   10.207   12.056   13.534   16.300   15.544   58.857   24.837   63.585   26.713 -4.727989 36.47548 
1 1 1    6   23   53 o   73.404   16.869   20.470   7.6077   18.750   13.182   21.329   9.3159   69.302   26.005   77.506   21.493 -8.203255 33.73717 
1 1 1    6   23   54 o  129.246   11.720   56.195   7.3402   37.465   10.840   72.056   9.9752  102.903   20.216  155.589   11.865 -52.68631 23.44018 
1 1 1    6   24    0 o  207.710   10.443  116.914   11.721   0.0000   0.0000  116.914   11.721  ?   ?   207.710   10.443      ?      ? 
1 1 1    6   24    1 o  421.878   8.3025  481.783   18.927   0.0000   0.0000  481.783   18.927  ?   ?   421.878   8.3025      ?      ? 
1 1 1    6   24    2 o  350.146   8.0477  331.842   15.227   0.0000   0.0000  331.842   15.227  ?   ?   350.146   8.0477      ?      ? 
1 1 1    6   24    3 o  318.647   9.3634  275.000   16.122   0.0000   0.0000  275.000   16.122  ?   ?   318.647   9.3634      ?      ? 
1 1 1    6   24    4 o  225.811   9.2495  138.099   11.286   0.0000   0.0000  138.099   11.286  ?   ?   225.811   9.2495      ?      ? 
1 1 1    6   24    5 o  244.808   10.764  162.456   14.239   0.0000   0.0000  162.456   14.239  ?   ?   244.808   10.764      ?      ? 
1 1 1    6   24    6 o  394.807   9.8422  422.319   20.997   0.0000   0.0000  422.319   20.997  ?   ?   394.807   9.8422      ?      ? 
1 1 1    6   24    7 o  204.352   11.312  113.255   12.491   0.0000   0.0000  113.255   12.491  ?   ?   204.352   11.312      ?      ? 
1 1 1    6   24   11 o   53.272   22.097   2.0732   10.438   0.0000   0.0000   2.0732   10.438  ?   ?    53.272   22.097      ?      ? 
1 1 1    6   24   13 o  375.758   11.275  383.382   22.894   0.0000   0.0000  383.382   22.894  ?   ?   375.758   11.275      ?      ? 
1 1 1    6   24   14 o  169.667   9.3213   78.055   8.5459   0.0000   0.0000   78.055   8.5459  ?   ?   169.667   9.3213      ?      ? 
1 1 1    6   24   15 o  290.070   7.4483  227.169   11.099  232.432   18.995  224.440   13.678  292.399   12.022  287.741   8.7967 4.658478 14.89660 
1 1 1    6   24   16 o  227.854   7.9876  145.463   9.2895  126.689   15.399  156.203   11.648  215.697   13.212  240.010   8.9808 -24.31375 15.97526 
1 1 1    6   24   17 o  134.227   12.839   52.263   8.6150   36.554   12.704   65.637   11.722  113.307   21.536  155.148   13.982 -41.84045 25.67702 
1 1 1    6   24   19 f  112.168   12.783   34.601   7.7474   34.376   10.865   34.834   11.051  111.806   17.983  112.529   18.174 -0.7221909 25.56685 
1 1 1    6   24   21 o  138.270   10.918   52.384   8.1528   50.575   11.304   54.344   11.770  135.791   15.405  140.750   15.476 -4.958832 21.83579 
1 1 1    6   24   23 o   69.198   16.245   11.786   7.4184   18.926   10.900   5.6247   10.125   81.249   23.495   57.148   22.440 24.10184 32.48968 
1 1 1    6   24   24 o  120.429   11.840   40.071   7.6808   36.551   10.881   43.567   10.843  115.035   17.505  125.823   15.948 -10.78850 23.68080 
1 1 1    6   24   26 o  186.850   8.2567   95.459   8.3351   94.882   11.664   96.061   11.915  186.290   11.587  187.411   11.765 -1.120331 16.51332 
1 1 1    6   24   27 o  143.272   10.142   56.640   7.8127   49.878   10.972   63.596   11.127  134.432   15.104  152.112   13.538 -17.68021 20.28302 
1 1 1    6   24   28 o  340.973   9.2334  316.761   17.013   0.0000   0.0000  316.761   17.013  ?   ?   340.973   9.2334      ?      ? 
1 1 1    6   24   29 o  146.585   9.8535   59.038   7.7878   62.073   11.487   56.457   10.594  150.010   14.171  143.161   13.695 6.849503 19.70697 
1 1 1    6   24   30 o  243.417   7.1542  161.814   9.3687  163.563   13.951  160.376   12.644  244.489   10.560  242.346   9.6554 2.143005 14.30840 
1 1 1    6   24   31 o  123.740   11.742   44.127   7.3612   31.057   10.359   57.458   10.462  103.316   19.264  144.163   13.430 -40.84695 23.48329 
1 1 1    6   24   32 o  338.751   6.7024  312.166   12.218  275.369   16.672  354.856   17.958  317.193   9.7271  360.308   9.2234 -43.11465 13.40471 
1 1 1    6   24   33 o   92.239   14.286   25.209   6.9321   22.478   9.7870   27.958   9.8199   86.839   21.071   97.640   19.296 -10.80039 28.57151 
1 1 1    6   24   34 o  205.037   7.5869  115.765   8.3898  107.632   11.864  123.899   11.866  197.696   11.106  212.378   10.339 -14.68207 15.17382 
1 1 1    6   24   35 o  257.211   9.4425  181.538   13.124   0.0000   0.0000  181.538   13.124  ?   ?   257.211   9.4425      ?      ? 
1 1 1    6   24   36 o  284.576   8.9530  222.070   13.768   0.0000   0.0000  222.070   13.768  ?   ?   284.576   8.9530      ?      ? 
1 1 1    6   24   37 o  129.066   10.436   48.647   6.9874   36.614   10.442   58.406   9.4032  113.171   17.074  144.962   12.004 -31.79060 20.87179 
1 1 1    6   24   38 o  286.739   9.0417  226.131   14.010   0.0000   0.0000  226.131   14.010  ?   ?   286.739   9.0417      ?      ? 
1 1 1    6   24   39 o  197.823   7.8128  109.393   8.2600  102.710   12.398  114.728   11.076  191.898   11.956  203.748   10.060 -11.84941 15.62563 
1 1 1    6   24   40 o  226.642   9.2797  141.716   11.365   0.0000   0.0000  141.716   11.365  ?   ?   226.642   9.2797      ?      ? 
1 1 1    6   24   41 o  278.194   9.0603  213.656   13.620   0.0000   0.0000  213.656   13.620  ?   ?   278.194   9.0603      ?      ? 
1 1 1    6   24   42 o   80.045   13.645   18.062   6.6971   33.912   10.167   5.9121   8.9011  107.413   17.516   52.676   20.926 54.73781 27.28970 
1 1 1    6   24   43 o  165.320   8.6211   77.509   7.6423   73.268   11.325   81.055   10.356  160.636   13.047  170.004   11.273 -9.367477 17.24226 
1 1 1    6   24   44 o   91.017   13.947   25.321   6.6638   32.095   10.057   20.020   8.8974  102.398   18.871   79.635   20.541 22.76399 27.89351 
1 1 1    6   24   45 o  119.463   11.168   41.108   7.0859   53.018   10.758   31.980   9.4175  135.086   14.737  103.841   16.783 31.24564 22.33544 
1 1 1    6   24   46 o   57.585   17.177   5.2833   8.4388   2.6864   10.060   11.450   15.503   49.323   21.133   65.846   27.084 -16.52334 34.35320 
1 1 1    6   24   47 o  100.072   17.748   33.775  10.0000   19.995   12.925   54.324   15.784   74.426   26.050  125.719   24.111 -51.29366 35.49603 
1 1 1    6   24   48 o   63.417   27.052   9.9144   16.353   0.0000   0.0000   9.9144   16.353  ?   ?    63.417   27.052      ?      ? 
1 1 1    6   24   49 o  104.904   29.313   41.869   17.259   0.0000   0.0000   41.869   17.259  ?   ?   104.904   29.313      ?      ? 
1 1 1    6   24   50 f  109.720   16.278   42.462   9.2459   48.536   14.396   38.198   12.063  115.443   23.866  103.997   22.144 11.44570 32.55647 
1 1 1    6   24   51 o   56.515   15.840   10.279   7.1624   11.305   10.734   9.4564   9.6162   58.117   23.014   54.912   21.771 3.204758 31.68022 
1 1 1    6   24   52 o  137.694   11.184   62.021   7.7508   45.132   11.937   74.332   10.191  116.534   18.956  158.854   11.873 -42.31985 22.36738 
1 1 1    6   25    1 o  324.384   10.170  285.413   17.826   0.0000   0.0000  285.413   17.826  ?   ?   324.384   10.170      ?      ? 
1 1 1    6   25    2 o  465.784   10.568  588.680   26.599   0.0000   0.0000  588.680   26.599  ?   ?   465.784   10.568      ?      ? 
1 1 1    6   25    3 o  315.888   12.357  271.197   21.093   0.0000   0.0000  271.197   21.093  ?   ?   315.888   12.357      ?      ? 
1 1 1    6   25    4 o  301.755   12.508  247.533   20.395   0.0000   0.0000  247.533   20.395  ?   ?   301.755   12.508      ?      ? 
1 1 1    6   25    5 o  149.934   11.028   61.034   8.9350   0.0000   0.0000   61.034   8.9350  ?   ?   149.934   11.028      ?      ? 
1 1 1    6   25    6 o  148.579   10.283   59.903   8.2560   0.0000   0.0000   59.903   8.2560  ?   ?   148.579   10.283      ?      ? 
1 1 1    6   25    7 o  152.548   10.196   63.147   8.4050   0.0000   0.0000   63.147   8.4050  ?   ?   152.548   10.196      ?      ? 
1 1 1    6   25    8 o  238.075   8.7090  153.636   11.204   0.0000   0.0000  153.636   11.204  ?   ?   238.075   8.7090      ?      ? 
1 1 1    6   25    9 o  237.777   7.6911  153.153   9.8820   0.0000   0.0000  153.153   9.8820  ?   ?   237.777   7.6911      ?      ? 
1 1 1    6   25   10 o  161.296   10.223   70.624   8.9102   0.0000   0.0000   70.624   8.9102  ?   ?   161.296   10.223      ?      ? 
1 1 1    6   25   11 o  382.363   10.429  397.022   21.549   0.0000   0.0000  397.022   21.549  ?   ?   382.363   10.429      ?      ? 
1 1 1    6   25   12 o  227.458   8.9137  140.326   10.956   0.0000   0.0000  140.326   10.956  ?   ?   227.458   8.9137      ?      ? 
1 1 1    6   25   13 o   52.997   19.330   6.3430   7.1934   0.0000   0.0000   6.3430   7.1934  ?   ?    52.997   19.330      ?      ? 
1 1 1    6   25   14 o  340.879   7.5862  314.935   13.974   0.0000   0.0000  314.935   13.974  ?   ?   340.879   7.5862      ?      ? 
1 1 1    6   25   15 o  105.948   12.625   29.600   6.5435   36.261   12.130   26.866   7.7712  112.791   20.664   99.105   14.511 13.68618 25.25005 
1 1 1    6   25   16 o   65.125   14.594   11.983   6.2980   0.7248   11.351   16.990   7.5701   53.268   22.626   76.983   18.441 -23.71466 29.18899 
1 1 1    6   25   17 o  162.321   8.7158   72.338   7.0768   70.653   12.600   73.115   8.5534  160.628   14.516  164.014   9.6509 -3.386215 17.43162 
1 1 1    6   25   18 o  148.720   9.9080   60.394   7.9436   54.827   10.996   66.470   11.488  141.516   14.379  155.923   13.635 -14.40697 19.81602 
1 1 1    6   25   19 o  126.228   11.743   43.894   7.9930   47.103   11.301   40.682   11.306  130.935   15.973  121.521   17.218 9.414406 23.48613 
1 1 1    6   25   20 o  153.949   9.5929   64.750   7.9543   57.824   11.009   72.317   11.506  145.282   14.023  162.617   13.094 -17.33412 19.18577 
1 1 1    6   25   21 o  105.835   13.482   32.072   7.4429   37.479   10.330   26.234   10.733  116.573   16.398   95.097   21.404 21.47616 26.96375 
1 1 1    6   25   22 f  118.720   12.065   38.894   7.7189   35.069   10.623   43.172   11.235  112.486   17.477  124.954   16.639 -12.46786 24.13095 
1 1 1    6   25   23 o   75.100   16.091   15.998   7.2383   20.200   10.212   11.756   10.261   83.154   22.278   67.045   23.225 16.10854 32.18278 
1 1 1    6   25   24 o  144.709   10.239   57.452   7.9841   51.919   10.925   63.796   11.697  137.213   14.734  152.205   14.222 -14.99226 20.47840 
1 1 1    6   25   25 o  160.913   9.8074   72.915   8.2839   54.488   11.900   90.241   11.539  140.309   15.695  181.517   11.764 -41.20753 19.61472 
1 1 1    6   25   27 o  199.273   8.0996  108.782   8.7168  113.892   12.527  103.985   12.137  203.826   11.373  194.719   11.535 9.107025 16.19922 
1 1 1    6   25   28 o  243.850   7.3349  161.811   9.6251  174.068   14.435  152.000   12.915  252.039   10.599  235.661   10.142 16.37842 14.66973 
1 1 1    6   25   29 o  225.566   7.4007  140.002   8.9871  129.469   12.909  149.910   12.519  217.130   11.002  234.002   9.9009 -16.87247 14.80134 
1 1 1    6   25   30 o  103.353   13.669   32.127   7.3494   15.095   10.226   50.323   10.570   72.234   23.146  134.471   14.546 -62.23701 27.33702 
1 1 1    6   25   31 o  134.188   14.842   50.260   10.762   50.260   10.762   0.0000   0.0000  134.188   14.842  ?   ?       ?      ? 
1 1 1    6   25   32 o   88.393   21.297   23.505   10.052   23.505   10.052   0.0000   0.0000   88.393   21.297  ?   ?       ?      ? 
1 1 1    6   25   33 o  313.624   9.2308  269.868   15.644   0.0000   0.0000  269.868   15.644  ?   ?   313.624   9.2308      ?      ? 
1 1 1    6   25   34 o  384.374   9.4809  405.963   19.692   0.0000   0.0000  405.963   19.692  ?   ?   384.374   9.4809      ?      ? 
1 1 1    6   25   35 o  224.959   7.4319  140.355   8.9970  128.173   12.871  151.996   12.581  215.103   11.073  234.816   9.9153 -19.71342 14.86388 
1 1 1    6   25   36 o   54.039   14.662   3.6319   6.7622   13.493   9.7372  -5.5542   9.3981   67.589   22.641   40.488   18.636 27.10150 29.32471 
1 1 1    6   25   37 o   52.875   14.954   4.8175   6.6626   0.5629   9.6933   8.6275   9.1729   47.516   20.555   58.234   21.724 -10.71780 29.90708 
1 1 1    6   25   38 o   53.916   14.981   5.4164   6.6991  -0.0980   9.6874   10.470   9.2740   46.531   20.334   61.301   22.006 -14.77047 29.96219 
1 1 1    6   25   39 o  169.792   8.4925   81.166   7.7540   77.314   11.359   84.528   10.611  165.639   12.691  173.945   11.289 -8.305099 16.98509 
1 1 1    6   25   40 o   76.948   14.638   17.944   6.5765   27.377   9.7622   10.105   8.8988   94.124   19.820   59.772   21.546 34.35204 29.27564 
1 1 1    6   25   41 o   46.130   13.885  -0.5211   6.5115   7.1346   9.2852  -7.9295   9.1340   54.993   21.520   37.266   17.553 17.72694 27.77056 
1 1 1    6   25   42 o  156.721   11.689   66.652   9.4343   55.567   11.420   90.473   16.742  138.599   15.249  174.843   17.720 -36.24385 23.37777 
1 1 1    6   25   43 o  114.704   17.058   42.821   10.121   38.694   13.166   48.784   15.826  108.746   23.118  120.662   25.090 -11.91620 34.11663 
1 1 1    6   25   44 f   73.645   18.573   17.099   9.1741   12.818   11.668   24.032   14.847   65.094   24.458   82.196   27.956 -17.10220 37.14508 
1 1 1    6   25   45 o   53.560   16.726  -0.1338   9.4770  -7.5405   12.140   11.423   15.164   43.117   20.286   64.003   26.598 -20.88636 33.45105 
1 1 1    6   25   46 f   51.775   15.894  -1.2649   9.4959   11.878   12.276 -20.8446   14.983   62.641   24.673   40.908   20.044 21.73305 31.78862 
1 1 1    6   25   47 o   94.823   16.415   28.855   8.2206   39.865   13.494   22.358   10.366  108.429   23.693   81.217   22.726 27.21189 32.83041 
1 1 1    6   25   48 o  265.408   9.6218  199.038   13.799   0.0000   0.0000  199.038   13.799  ?   ?   265.408   9.6218      ?      ? 
1 1 1    6   25   49 o  114.388   17.179   56.353   9.2939   38.806   19.023   61.854   10.652   86.371   31.446  142.405   13.842 -56.03381 34.35732 
1 1 1    6   25   50 o   55.030   15.177   8.5030   7.1224   0.1853   10.762   14.985   9.5005   45.451   20.540   64.609   22.350 -19.15797 30.35458 
1 1 1    6   25   51 o  138.787   11.593   61.857   8.6626   56.113   11.699   68.829   12.889  131.635   16.447  145.939   16.344 -14.30388 23.18694 
1 1 1    6   26    0 o  441.398   9.6992  528.880   23.134   0.0000   0.0000  528.880   23.134  ?   ?   441.398   9.6992      ?      ? 
1 1 1    6   26    1 o  442.844   9.6335  532.327   23.053   0.0000   0.0000  532.327   23.053  ?   ?   442.844   9.6335      ?      ? 
1 1 1    6   26    2 o  401.777   9.3766  438.086   20.357   0.0000   0.0000  438.086   20.357  ?   ?   401.777   9.3766      ?      ? 
1 1 1    6   26    3 o  357.549   9.1940  346.905   17.764   0.0000   0.0000  346.905   17.764  ?   ?   357.549   9.1940      ?      ? 
1 1 1    6   26    4 o  266.921   9.3613  193.380   13.502   0.0000   0.0000  193.380   13.502  ?   ?   266.921   9.3613      ?      ? 
1 1 1    6   26    5 o  141.479   10.984   54.430   8.3976   0.0000   0.0000   54.430   8.3976  ?   ?   141.479   10.984      ?      ? 
1 1 1    6   26    6 o  217.993   8.2578  128.876   9.7274   0.0000   0.0000  128.876   9.7274  ?   ?   217.993   8.2578      ?      ? 
1 1 1    6   26    7 o  175.751   9.1205   83.852   8.6617   0.0000   0.0000   83.852   8.6617  ?   ?   175.751   9.1205      ?      ? 
1 1 1    6   26    8 o  212.854   9.5214  123.072   10.951   0.0000   0.0000  123.072   10.951  ?   ?   212.854   9.5214      ?      ? 
1 1 1    6   26    9 o  214.284   9.1473  124.701   10.592   0.0000   0.0000  124.701   10.592  ?   ?   214.284   9.1473      ?      ? 
1 1 1    6   26   10 o  122.880   17.877   41.622   11.870   0.0000   0.0000   41.622   11.870  ?   ?   122.880   17.877      ?      ? 
1 1 1    6   26   11 o  133.120   12.040   48.324   8.6610   0.0000   0.0000   48.324   8.6610  ?   ?   133.120   12.040      ?      ? 
1 1 1    6   26   12 o  309.308   8.8149  259.774   14.733   0.0000   0.0000  259.774   14.733  ?   ?   309.308   8.8149      ?      ? 
1 1 1    6   26   13 o   83.235   16.882   19.722   7.3334   0.0000   0.0000   19.722   7.3334  ?   ?    83.235   16.882      ?      ? 
1 1 1    6   26   14 o  269.364   7.2479  196.722   10.550   0.0000   0.0000  196.722   10.550  ?   ?   269.364   7.2479      ?      ? 
1 1 1    6   26   15 o  300.704   7.2380  245.205   11.761   0.0000   0.0000  245.205   11.761  ?   ?   300.704   7.2380      ?      ? 
1 1 1    6   26   16 o  136.439   10.363   51.623   7.0379   49.730   12.585   52.484   8.4896  134.167   17.358  138.712   11.326 -4.545593 20.72672 
1 1 1    6   26   17 o  198.814   8.3537  114.895   7.9439   92.365   14.409  124.733   9.5217  183.346   14.544  214.283   8.2232 -30.93686 16.70748 
1 1 1    6   26   18 f  198.911   8.2815  104.270   7.8338  116.464   15.664  100.203   9.0463  205.870   14.081  191.953   8.7215 13.91699 16.56301 
1 1 1    6   26   19 o  206.934   7.9934  117.117   8.9177  127.266   12.699  107.243   12.526  215.871   10.886  197.998   11.707 17.87350 15.98677 
1 1 1    6   26   20 o   84.193   14.293   18.915   7.2827   6.1396   9.8136   34.575   10.865   56.968   22.170  111.418   18.047 -54.45025 28.58666 
1 1 1    6   26   21 o  215.425   11.081  126.893   12.899   0.0000   0.0000  126.893   12.899  ?   ?   215.425   11.081      ?      ? 
1 1 1    6   26   23 o  191.034   8.6480   99.756   8.8955   88.714   12.186  112.353   13.016  179.685   12.550  202.383   11.901 -22.69817 17.29602 
1 1 1    6   26   25 f  155.427   9.9708   67.047   8.3551   65.047   12.115   68.861   11.538  153.060   14.648  157.794   13.532 -4.734116 19.94152 
1 1 1    6   26   26 o  136.444   10.626   51.787   7.8301   53.898   11.299   49.836   10.861  139.116   15.030  133.773   15.025 5.343002 21.25229 
1 1 1    6   26   27 o  219.879   7.7197  133.272   9.1382  125.813   13.253  140.033   12.617  213.804   11.471  225.954   10.334 -12.14941 15.43939 
1 1 1    6   26   28 o  299.704   9.5297  245.974   15.433   0.0000   0.0000  245.974   15.433  ?   ?   299.704   9.5297      ?      ? 
1 1 1    6   26   29 o  185.339   12.132   95.020   12.151   0.0000   0.0000   95.020   12.151  ?   ?   185.339   12.132      ?      ? 
1 1 1    6   26   30 o   59.724   16.099   7.3082   7.4579   2.1387   10.289   13.030   10.825   51.226   21.638   68.222   23.843 -16.99589 32.19769 
1 1 1    6   26   31 o  170.949   12.607   81.296   11.646   0.0000   0.0000   81.296   11.646  ?   ?   170.949   12.607      ?      ? 
1 1 1    6   26   32 o   89.965   15.021   25.027   7.2748   30.428   10.019   19.005   10.580  101.228   19.014   78.701   23.260 22.52697 30.04296 
1 1 1    6   26   33 f   45.063   14.155  -1.8684   6.8841  -2.4931   9.4298  -1.1555   10.073   43.610   19.505   46.515   20.517 -2.905754 28.30948 
1 1 1    6   26   34 o  173.794   8.7047   84.699   8.0525   67.312   11.212  103.225   11.573  154.764   13.406  192.824   11.107 -38.05928 17.40949 
1 1 1    6   26   35 o  229.868   10.220  146.258   12.695   0.0000   0.0000  146.258   12.695  ?   ?   229.868   10.220      ?      ? 
1 1 1    6   26   36 o   76.562   14.969   17.816   7.1809   28.829   10.095   6.5363   10.217   97.128   19.903   55.996   22.365 41.13180 29.93818 
1 1 1    6   26   37 o  130.947   12.917   47.414   8.7193   40.734   10.583   61.532   15.385  118.466   16.532  143.428   19.851 -24.96210 25.83327 
1 1 1    6   26   38 o  207.088   10.253  122.623   11.418  119.460   15.339  126.554   17.099  204.606   13.874  209.569   15.099 -4.963058 20.50511 
1 1 1    6   26   39 o   90.610   18.094   27.075   9.0783   25.518   11.588   29.550   14.608   88.358   23.756   92.861   27.299 -4.502541 36.18829 
1 1 1    6   26   40 o  151.744   12.784   68.004   10.312   65.968   13.373   70.991   16.197  150.126   16.484  153.361   19.545 -3.234589 25.56838 
1 1 1    6   26   41 o   60.344   17.203   2.9304   9.4838  -9.5788   12.372   20.757   14.769   42.962   20.294   77.725   27.785 -34.76272 34.40688 
1 1 1    6   26   42 o   87.419   19.039   27.167   9.9138   28.851   13.218   25.000   14.989   91.256   25.707   83.582   28.091 7.673866 38.07841 
1 1 1    6   26   43 o   49.418   15.031   2.3712   7.5819  -6.1171   12.452   7.3720   9.5578   44.735   20.885   54.101   21.623 -9.365719 30.06192 
1 1 1    6   26   44 o   76.902   16.249   18.939   7.6114   30.640   11.886   10.805   9.9099   94.209   23.442   59.596   22.508 34.61303 32.49880 
1 1 1    6   26   45 o  115.164   12.862   39.980   7.6613   52.795   11.765   30.544   10.095  132.689   16.408   97.638   19.811 35.05057 25.72385 
1 1 1    6   26   46 o   66.147   16.217   14.853   7.1529   12.322   10.338   17.178   9.9070   61.835   23.064   70.458   22.804 -8.623058 32.43348 
1 1 1    6   26   47 o   72.400   16.056   20.167   7.1086   16.618   10.121   23.623   9.9869   65.639   23.047   79.161   22.361 -13.52184 32.11243 
1 1 1    6   26   48 o   39.027   12.856  -5.7983   6.7650   0.7378   9.7335 -11.9059   9.4091   44.416   19.845   33.638   16.349 10.77765 25.71217 
1 1 1    6   26   49 o  167.460   9.3201   85.874   8.3102   74.965   12.172   95.400   11.374  155.493   14.486  179.427   11.731 -23.93404 18.64030 
1 1 1    6   27    3 o  163.294   14.158   72.983   12.493   0.0000   0.0000   72.983   12.493  ?   ?   163.294   14.158      ?      ? 
1 1 1    6   27    6 o   69.904   24.945   12.078   11.899   0.0000   0.0000   12.078   11.899  ?   ?    69.904   24.945      ?      ? 
1 1 1    6   27    7 o   93.679   17.719   24.978   8.6410   0.0000   0.0000   24.978   8.6410  ?   ?    93.679   17.719      ?      ? 
1 1 1    6   27    8 o   44.875   18.595   1.6282   7.3814   0.0000   0.0000   1.6282   7.3814  ?   ?    44.875   18.595      ?      ? 
1 1 1    6   27    9 o  184.777   13.101   93.425   13.081   0.0000   0.0000   93.425   13.081  ?   ?   184.777   13.101      ?      ? 
1 1 1    6   27   10 o  179.869   18.702   89.783   18.177   0.0000   0.0000   89.783   18.177  ?   ?   179.869   18.702      ?      ? 
1 1 1    6   27   11 o  118.784   12.572   38.611   8.0694   0.0000   0.0000   38.611   8.0694  ?   ?   118.784   12.572      ?      ? 
1 1 1    6   27   12 o  203.939   8.3236  113.036   9.1727   0.0000   0.0000  113.036   9.1727  ?   ?   203.939   8.3236      ?      ? 
1 1 1    6   27   13 o  130.013   24.085   49.326   16.298   0.0000   0.0000   49.326   16.298  ?   ?   130.013   24.085      ?      ? 
1 1 1    6   27   14 o  110.600   12.941   33.561   7.7344   0.0000   0.0000   33.561   7.7344  ?   ?   110.600   12.941      ?      ? 
1 1 1    6   27   15 o  126.195   11.604   43.576   7.9131   0.0000   0.0000   43.576   7.9131  ?   ?   126.195   11.604      ?      ? 
1 1 1    6   27   16 o  125.233   11.174   42.887   7.5617   0.0000   0.0000   42.887   7.5617  ?   ?   125.233   11.174      ?      ? 
1 1 1    6   27   17 o   64.258   12.264   10.453   6.2798 -14.5338   10.755   23.380   7.7356   38.001   18.220   90.515   16.420 -52.51453 24.52730 
1 1 1    6   27   18 o  183.628   8.5473   93.447   7.6072   90.248   14.239   94.724   8.9991  180.783   14.576  186.472   8.9309 -5.688675 17.09453 
1 1 1    6   27   19 o  141.432   9.7198   54.559   6.8314   56.712   12.483   53.639   8.1621  142.853   16.171  140.012   10.788 2.840149 19.43963 
1 1 1    6   27   20 o  278.921   10.041  212.687   15.134   0.0000   0.0000  212.687   15.134  ?   ?   278.921   10.041      ?      ? 
1 1 1    6   27   22 o   95.796   15.498   27.221   7.8142   26.283   10.489   28.391   11.714   94.165   21.133   97.426   22.676 -3.260872 30.99658 
1 1 1    6   27   23 o  125.519   12.096   44.799   8.0845   37.038   11.591   52.149   11.281  114.312   18.765  136.726   15.269 -22.41431 24.19280 
1 1 1    6   27   24 o  317.877   9.8626  276.858   16.941   0.0000   0.0000  276.858   16.941  ?   ?   317.877   9.8626      ?      ? 
1 1 1    6   27   25 o  251.131   10.330  173.174   14.018   0.0000   0.0000  173.174   14.018  ?   ?   251.131   10.330      ?      ? 
1 1 1    6   27   26 o  141.995   10.290   56.286   7.8512   48.645   10.854   64.669   11.370  131.667   15.256  152.322   13.814 -20.65425 20.58068 
1 1 1    6   27   27 o  146.068   10.136   59.868   7.9861   62.238   11.135   57.358   11.460  149.236   13.808  142.899   14.841 6.337112 20.27112 
1 1 1    6   27   28 o  139.385   10.524   54.605   7.9108   50.112   11.012   59.397   11.371  133.314   15.287  145.457   14.467 -12.14311 21.04747 
1 1 1    6   27   29 o  143.453   12.362   59.951   9.0034   62.309   11.153   55.541   15.255  149.086   13.844  137.820   20.483 11.26584 24.72324 
1 1 1    6   27   30 o   67.844   17.925   11.360   8.5090   8.4413   10.516   16.894   14.481   59.837   23.043   75.852   27.463 -16.01509 35.84982 
1 1 1    6   27   31 o  184.639   11.005   97.572   10.819  100.428   14.291   93.739   16.559  188.714   14.014  180.564   16.972 8.149490 22.00996 
1 1 1    6   27   32 o   87.475   18.083   23.604   8.8359   20.597   11.073   28.874   14.660   80.975   23.757   93.975   27.269 -13.00008 36.16640 
1 1 1    6   27   33 o   60.299   17.145   6.0746   8.4405   1.4908   10.651   13.813   13.839   50.324   21.658   70.273   26.585 -19.94984 34.29036 
1 1 1    6   27   34 o  143.646   12.967   59.954   9.9866   54.932   13.157   66.779   15.339  136.993   17.773  150.299   18.887 -13.30632 25.93443 
1 1 1    6   27   35 o  198.974   10.381  114.627   11.021  127.005   15.089  100.473   16.135  211.706   13.190  186.242   16.033 25.46494 20.76115 
1 1 1    6   27   36 o  123.246   16.319   50.469   10.110   58.559   13.005   38.108   16.075  141.246   17.039  105.246   27.838 36.00043 32.63816 
1 1 1    6   27   37 o   67.466   18.146   13.085   9.0233   13.791   11.411   11.908   14.741   67.607   24.394   67.326   26.872 0.2806625 36.29285 
1 1 1    6   27   38 o   32.355   11.296 -20.5225   7.2402 -27.5225   10.689 -14.5880   9.8418   30.339   15.206   34.371   16.709 -4.031740 22.59188 
1 1 1    6   27   39 f  132.094   13.278   55.856   8.5996   41.261   13.355   66.194   11.240  112.579   22.736  151.609   13.720 -39.02967 26.55503 
1 1 1    6   27   40 o   56.200   15.881   7.5901   7.2859   8.6419   10.610   6.6514   10.023   57.968   22.904   54.432   22.005 3.535961 31.76217 
1 1 1    6   27   41 o   36.677   12.460 -11.9140   7.1864  -6.2855   10.533 -16.8158   9.8296   40.818   19.106   32.536   16.001 8.281361 24.92061 
1 1 1    6   27   42 o  111.966   12.989   38.767   7.8459   39.683   11.465   37.959   10.760  112.873   18.797  111.060   17.930 1.813622 25.97722 
1 1 1    6   27   43 o  158.078   9.6172   72.322   8.1899   80.543   11.954   65.051   11.243  166.782   13.265  149.373   13.929 17.40834 19.23437 
1 1 1    6   27   44 o   46.001   14.337   1.0894   6.9471   0.6908   9.8722   1.4804   9.7779   45.652   20.215   46.351   20.337 -0.6991196 28.67482 
1 1 1    6   27   45 o   77.852   15.817   22.965   7.2445   16.959   10.168   29.158   10.324   66.247   23.111   89.457   21.601 -23.20977 31.63414 
1 1 1    6   27   46 o   84.405   15.939   25.766   7.4086   26.458   10.557   25.095   10.399   85.593   22.522   83.217   22.560 2.375549 31.87736 
1 1 1    6   27   47 o   49.899   16.482  -0.2269   8.8804   10.838   19.139  -3.2627   10.025   59.493   27.084   40.306   18.791 19.18723 32.96426 
1 1 1    6   28    0 o  330.363   12.131  298.749   21.656   0.0000   0.0000  298.749   21.656  ?   ?   330.363   12.131      ?      ? 
1 1 1    6   28    1 o   47.286   19.169   2.8550   7.6282   0.0000   0.0000   2.8550   7.6282  ?   ?    47.286   19.169      ?      ? 
1 1 1    6   28    2 o  199.240   8.7274  107.989   9.3961   0.0000   0.0000  107.989   9.3961  ?   ?   199.240   8.7274      ?      ? 
1 1 1    6   28    3 o  185.779   8.7700   93.902   8.8041   0.0000   0.0000   93.902   8.8041  ?   ?   185.779   8.7700      ?      ? 
1 1 1    6   28    4 o  144.775   10.796   57.235   8.4460   0.0000   0.0000   57.235   8.4460  ?   ?   144.775   10.796      ?      ? 
1 1 1    6   28    5 o   89.225   17.599   22.842   8.1839   0.0000   0.0000   22.842   8.1839  ?   ?    89.225   17.599      ?      ? 
1 1 1    6   28    6 o  173.572   13.899   82.874   13.037   0.0000   0.0000   82.874   13.037  ?   ?   173.572   13.899      ?      ? 
1 1 1    6   28    7 o  150.015   15.835   62.250   12.837   0.0000   0.0000   62.250   12.837  ?   ?   150.015   15.835      ?      ? 
1 1 1    6   28    8 o   82.041   25.519   19.425   12.516   0.0000   0.0000   19.425   12.516  ?   ?    82.041   25.519      ?      ? 
1 1 1    6   28    9 o   94.234   24.185   26.288   12.377   0.0000   0.0000   26.288   12.377  ?   ?    94.234   24.185      ?      ? 
1 1 1    6   28   10 o  187.282   13.574   96.497   13.737   0.0000   0.0000   96.497   13.737  ?   ?   187.282   13.574      ?      ? 
1 1 1    6   28   11 o  237.683   11.948  154.842   15.345   0.0000   0.0000  154.842   15.345  ?   ?   237.683   11.948      ?      ? 
1 1 1    6   28   13 o  199.659   12.906  109.633   13.925   0.0000   0.0000  109.633   13.925  ?   ?   199.659   12.906      ?      ? 
1 1 1    6   28   15 o   75.295   24.232   16.251   11.199   0.0000   0.0000   16.251   11.199  ?   ?    75.295   24.232      ?      ? 
1 1 1    6   28   16 o   70.978   25.071   13.473   11.991   0.0000   0.0000   13.473   11.991  ?   ?    70.978   25.071      ?      ? 
1 1 1    6   28   17 o  119.653   19.155   40.568   12.385   0.0000   0.0000   40.568   12.385  ?   ?   119.653   19.155      ?      ? 
1 1 1    6   28   18 o  136.327   14.640   56.180   9.8741   76.013   13.754   35.090   14.184  165.063   15.421  107.591   24.891 57.47206 29.28032 
1 1 1    6   28   19 o  213.009   9.7914  126.978   11.150  135.811   15.081  116.329   16.560  221.737   12.587  204.281   15.002 17.45642 19.58284 
1 1 1    6   28   20 o  285.955   9.0439  225.264   13.872  218.761   18.420  233.784   21.084  281.554   12.107  290.357   13.438 -8.802765 18.08785 
1 1 1    6   28   21 o  248.119   9.6016  171.239   12.825  173.829   17.481  168.221   18.872  250.477   12.916  245.761   14.211 4.715958 19.20317 
1 1 1    6   28   22 o  168.908   11.579   82.074   10.326   92.635   13.886   69.009   15.444  182.229   14.102  155.587   18.370 26.64204 23.15875 
1 1 1    6   28   23 o  203.724   9.9942  114.832   10.923  106.104   14.434  126.532   16.711  194.971   13.700  212.477   14.555 -17.50616 19.98839 
1 1 1    6   28   24 o   82.375   18.001   19.898   8.7952   15.047   11.366   27.140   13.886   71.919   24.460   92.830   26.418 -20.91079 36.00293 
1 1 1    6   28   25 o  196.417   10.326  109.248   10.786  113.671   14.248  103.311   16.507  201.872   13.061  190.962   15.997 10.91074 20.65165 
1 1 1    6   28   26 o  188.074   10.585   98.077   10.559   90.946   13.503  109.302   16.941  180.004   13.882  196.144   15.984 -16.13939 21.17065 
1 1 1    6   28   27 o   91.761   17.686   26.393   8.8208   25.270   11.182   28.243   14.352   90.051   22.921   93.471   26.940 -3.420746 35.37146 
1 1 1    6   28   28 o   55.123   16.388   3.5204   8.3754   7.1194   10.550  -2.6149   13.774   57.787   22.837   52.459   23.511 5.327991 32.77657 
1 1 1    6   28   29 o   62.116   17.337   7.9773   8.5078   4.5653   11.000   13.056   13.421   54.917   22.724   69.316   26.191 -14.39928 34.67461 
1 1 1    6   28   30 o   98.682   17.694   30.459   9.4606   23.761   12.397   39.797   14.639   85.880   25.121  111.483   24.926 -25.60288 35.38880 
1 1 1    6   28   31 o  109.310   14.845   36.091   8.5648   43.288   12.767   30.201   11.549  120.663   19.581   97.957   22.317 22.70580 29.68912 
1 1 1    6   28   32 o  194.538   9.0439  108.554   9.3381   92.117   13.768  122.556   12.708  179.718   14.177  209.358   11.233 -29.63950 18.08785 
1 1 1    6   28   33 o  119.964   12.692   42.545   8.2182   45.201   11.745   39.998   11.503  123.859   17.549  116.068   18.341 7.791374 25.38378 
1 1 1    6   28   34 o  217.173   11.101  132.119   13.027   0.0000   0.0000  132.119   13.027  ?   ?   217.173   11.101      ?      ? 
1 1 1    6   28   35 o  137.298   10.650   54.413   7.8969   55.194   11.389   53.689   10.960  138.132   15.258  136.465   14.862 1.666870 21.29994 
1 1 1    6   28   36 o  218.477   11.025  134.274   13.016   0.0000   0.0000  134.274   13.016  ?   ?   218.477   11.025      ?      ? 
1 1 1    6   28   37 o   52.717   14.529   1.5806   7.2441 -12.6808   10.339   15.336   10.153   36.521   17.601   68.913   23.120 -32.39263 29.05736 
1 1 1    6   28   38 o   47.458   14.751   0.1451   7.4201  -3.9312   10.366   4.4285   10.626   42.848   19.667   52.067   21.991 -9.219261 29.50258 
1 1 1    6   28   39 f   55.886   15.807   8.1634   7.2778   5.8967   10.214   10.501   10.372   52.544   21.832   59.229   22.864 -6.684711 31.61315 
1 1 1    6   28   40 o  165.056   9.6345   79.356   8.4290   61.228   11.609   99.570   12.259  143.903   14.929  186.210   12.183 -42.30716 19.26899 
1 1 1    6   28   41 o  115.038   13.160   40.800   7.9598   47.087   11.767   35.496   10.808  124.492   17.492  105.585   19.666 18.90717 26.32014 
1 1 1    6   28   42 o  111.480   18.042   38.976   10.868   0.0000   0.0000   38.976   10.868  ?   ?   111.480   18.042      ?      ? 
1 1 1    6   28   43 o  110.389   13.394   41.129   7.8297   40.256   11.036   42.014   11.110  108.178   19.601  112.601   18.260 -4.423508 26.78817 
1 1 1    6   28   44 o   72.226   19.309   19.806   9.3208   25.293   19.674   18.219   10.584   74.519   30.564   69.933   23.605 4.585915 38.61809 
1 1 1    6   28   45 o  100.993   18.443   48.222   11.928   26.802   20.139   59.797   14.805   71.788   30.296  130.199   21.043 -58.41080 36.88654 
1 1 1    6   29    0 o  305.879   8.0499  254.572   13.305   0.0000   0.0000  254.572   13.305  ?   ?   305.879   8.0499      ?      ? 
1 1 1    6   29    1 o  203.569   8.5341  112.856   9.3876   0.0000   0.0000  112.856   9.3876  ?   ?   203.569   8.5341      ?      ? 
1 1 1    6   29    2 o  136.005   11.260   50.675   8.2753   0.0000   0.0000   50.675   8.2753  ?   ?   136.005   11.260      ?      ? 
1 1 1    6   29    3 f  110.298   13.465   33.533   8.0254   0.0000   0.0000   33.533   8.0254  ?   ?   110.298   13.465      ?      ? 
1 1 1    6   29    4 o  227.851   8.6357  141.450   10.632   0.0000   0.0000  141.450   10.632  ?   ?   227.851   8.6357      ?      ? 
1 1 1    6   29    5 o  233.728   8.5158  148.831   10.755   0.0000   0.0000  148.831   10.755  ?   ?   233.728   8.5158      ?      ? 
1 1 1    6   29    6 o  101.846   14.463   28.718   7.9595   0.0000   0.0000   28.718   7.9595  ?   ?   101.846   14.463      ?      ? 
1 1 1    6   29    7 o   88.308   23.906   23.303   11.687   0.0000   0.0000   23.303   11.687  ?   ?    88.308   23.906      ?      ? 
1 1 1    6   29    8 o   78.047   30.391   13.857   18.448   0.0000   0.0000   13.857   18.448  ?   ?    78.047   30.391      ?      ? 
1 1 1    6   29    9 o   75.390   19.559   16.702   8.0360   0.0000   0.0000   16.702   8.0360  ?   ?    75.390   19.559      ?      ? 
1 1 1    6   29   10 o  230.143   9.2637  144.732   11.520   0.0000   0.0000  144.732   11.520  ?   ?   230.143   9.2637      ?      ? 
1 1 1    6   29   11 o  131.174   11.633   47.341   8.2458   0.0000   0.0000   47.341   8.2458  ?   ?   131.174   11.633      ?      ? 
1 1 1    6   29   12 o  128.326   11.734   45.337   8.1364   0.0000   0.0000   45.337   8.1364  ?   ?   128.326   11.734      ?      ? 
1 1 1    6   29   13 o   71.644   19.687   15.098   7.8569   0.0000   0.0000   15.098   7.8569  ?   ?    71.644   19.687      ?      ? 
1 1 1    6   29   14 o   77.132   18.677   17.512   7.7016   0.0000   0.0000   17.512   7.7016  ?   ?    77.132   18.677      ?      ? 
1 1 1    6   29   15 f  128.361   15.694   46.138   10.886   0.0000   0.0000   46.138   10.886  ?   ?   128.361   15.694      ?      ? 
1 1 1    6   29   16 o  198.369   8.2528  107.431   8.8463   0.0000   0.0000  107.431   8.8463  ?   ?   198.369   8.2528      ?      ? 
1 1 1    6   29   17 o  116.095   11.797   37.235   7.4009   0.0000   0.0000   37.235   7.4009  ?   ?   116.095   11.797      ?      ? 
1 1 1    6   29   18 o  100.063   14.816   28.074   8.0113   0.0000   0.0000   28.074   8.0113  ?   ?   100.063   14.816      ?      ? 
1 1 1    6   29   19 o  210.377   7.7064  121.326   8.1050  124.347   14.602  119.980   9.7438  211.426   12.781  209.328   8.6142 2.097824 15.41288 
1 1 1    6   29   20 o  115.776   12.153   39.597   6.6697   36.216   12.032   41.097   8.0136  109.890   21.028  121.663   12.189 -11.77345 24.30544 
1 1 1    6   29   21 o  307.250   7.6373  257.050   11.714  270.496   21.293  251.216   14.027  311.691   12.642  302.809   8.5724 8.881592 15.27469 
1 1 1    6   29   22 f  112.861   13.543   37.457   8.0623   39.527   11.289   35.301   11.518  117.264   17.815  108.459   20.402 8.805786 27.08577 
1 1 1    6   29   23 o   61.271   16.388   7.7711   7.8353   0.9571   10.711   15.614   11.491   50.220   21.666   72.322   24.595 -22.10194 32.77686 
1 1 1    6   29   24 f   75.559   17.012   17.724   8.0239   21.605   10.698   12.732   12.132   83.186   23.019   67.931   25.054 15.25475 34.02344 
1 1 1    6   29   25 o   56.618   16.262   5.8202   7.7782   6.2260   10.672   5.3603   11.360   56.659   22.776   56.578   23.218 0.8145905E-01 32.52425 
1 1 1    6   29   26 o   76.878   15.730   16.998   7.9372   30.531   11.374   4.1536   11.081   99.318   21.793   54.437   22.689 44.88070 31.45967 
1 1 1    6   29   27 f   65.102   15.860   9.8603   7.7305   21.764   11.148  -1.1666   10.729   82.663   23.719   47.541   21.062 35.12214 31.72071 
1 1 1    6   29   28 o  156.904   10.194   70.374   8.6078   76.644   12.105   63.962   12.242  164.431   13.624  149.376   15.167 15.05423 20.38731 
1 1 1    6   29   29 o   83.799   16.132   22.413   7.5007   20.739   10.328   24.282   10.911   80.557   22.735   87.040   22.892 -6.482986 32.26332 
1 1 1    6   29   30 o  192.196   8.5241  104.160   8.8391   97.630   12.489  110.712   12.511  185.905   12.433  198.487   11.665 -12.58215 17.04815 
1 1 1    6   29   31 o  142.415   11.142   59.134   8.4695   48.880   11.910   69.625   12.047  128.996   17.086  155.835   14.306 -26.83853 22.28446 
1 1 1    6   29   32 o   73.900   15.159   16.352   7.6614   29.425   10.573   1.8979   11.117   96.823   20.827   50.977   22.032 45.84626 30.31800 
1 1 1    6   29   33 o   77.723   24.596   20.138   11.575   0.0000   0.0000   20.138   11.575  ?   ?    77.723   24.596      ?      ? 
1 1 1    6   29   34 o   55.076   15.790   6.4592   7.4423   9.4392   10.147   2.9902   10.948   58.869   22.646   51.283   22.012 7.585800 31.58082 
1 1 1    6   29   35 o   79.298   16.845   21.199   7.8337   18.899   11.020   23.549   11.138   75.009   24.027   83.588   23.616 -8.578857 33.68980 
1 1 1    6   29   36 o   61.229   15.983   9.6941   7.5101   1.6902   10.065   19.748   11.280   47.421   20.724   75.037   24.338 -27.61580 31.96596 
1 1 1    6   29   37 o  191.067   8.7112  104.767   8.9653   94.052   12.275  117.017   13.125  180.373   12.594  201.762   12.039 -21.38940 17.42240 
1 1 1    6   29   38 o  141.549   11.300   59.793   8.6309   59.035   11.873   60.642   12.568  140.922   15.592  142.176   16.359 -1.253342 22.59947 
1 1 1    6   29   39 o  176.440   9.2410   89.574   8.7086   72.735   11.861  109.266   12.827  157.770   13.913  195.111   12.166 -37.34047 18.48202 
1 1 1    6   29   40 o   37.368   12.644  -9.0004   7.2857  -6.0088   9.7841 -12.7239   10.915   38.424   18.119   36.313   17.640 2.110477 25.28756 
1 1 1    6   29   41 o   88.522   19.605   35.870   12.015   18.034   17.738   50.991   16.332   65.691   28.102  111.353   27.343 -45.66194 39.20913 
1 1 1    6   29   42 o   91.773   20.308   31.361   12.638   65.293   20.571   10.788   16.018  123.078   30.959   60.469   26.290 62.60889 40.61608 
1 1 1    6   29   43 o   76.451   20.994   27.873   11.918   40.450   20.338   21.295   14.708   84.342   32.151   68.560   27.006 15.78250 41.98792 
1 1 1    6   30    0 o  163.327   10.158   73.133   8.9653   0.0000   0.0000   73.133   8.9653  ?   ?   163.327   10.158      ?      ? 
1 1 1    6   30    1 o  112.829   13.673   35.314   8.3364   0.0000   0.0000   35.314   8.3364  ?   ?   112.829   13.673      ?      ? 
1 1 1    6   30    2 o  128.803   12.229   45.785   8.5116   0.0000   0.0000   45.785   8.5116  ?   ?   128.803   12.229      ?      ? 
1 1 1    6   30    3 o  330.850   9.0182  299.212   16.123   0.0000   0.0000  299.212   16.123  ?   ?   330.850   9.0182      ?      ? 
1 1 1    6   30    4 o   88.451   17.928   22.827   8.2753   0.0000   0.0000   22.827   8.2753  ?   ?    88.451   17.928      ?      ? 
1 1 1    6   30    5 o  240.749   9.3514  158.602   12.165   0.0000   0.0000  158.602   12.165  ?   ?   240.749   9.3514      ?      ? 
1 1 1    6   30    6 o  133.740   17.104   50.420   12.361   0.0000   0.0000   50.420   12.361  ?   ?   133.740   17.104      ?      ? 
1 1 1    6   30    7 o   42.485   19.604  -7.0309   10.491   0.0000   0.0000  -7.0309   10.491  ?   ?    42.485   19.604      ?      ? 
1 1 1    6   30    8 o  159.754   10.141   70.044   8.7539   0.0000   0.0000   70.044   8.7539  ?   ?   159.754   10.141      ?      ? 
1 1 1    6   30    9 o   85.002   17.890   21.186   7.9571   0.0000   0.0000   21.186   7.9571  ?   ?    85.002   17.890      ?      ? 
1 1 1    6   30   10 o  138.475   11.162   52.860   8.3519   0.0000   0.0000   52.860   8.3519  ?   ?   138.475   11.162      ?      ? 
1 1 1    6   30   11 o  255.495   8.4345  178.493   11.645   0.0000   0.0000  178.493   11.645  ?   ?   255.495   8.4345      ?      ? 
1 1 1    6   30   12 o  190.658   8.9226   99.589   9.1925   0.0000   0.0000   99.589   9.1925  ?   ?   190.658   8.9226      ?      ? 
1 1 1    6   30   13 o  186.466   10.231   95.727   10.309   0.0000   0.0000   95.727   10.309  ?   ?   186.466   10.231      ?      ? 
1 1 1    6   30   14 f  115.129   12.444   36.839   7.7417   0.0000   0.0000   36.839   7.7417  ?   ?   115.129   12.444      ?      ? 
1 1 1    6   30   15 o  141.597   10.132   55.216   7.7526   0.0000   0.0000   55.216   7.7526  ?   ?   141.597   10.132      ?      ? 
1 1 1    6   30   16 f  138.557   22.352   56.872   16.735   0.0000   0.0000   56.872   16.735  ?   ?   138.557   22.352      ?      ? 
1 1 1    6   30   17 o   88.729   16.322   23.008   7.5375   0.0000   0.0000   23.008   7.5375  ?   ?    88.729   16.322      ?      ? 
1 1 1    6   30   18 o   83.255   16.902   20.474   7.3444   0.0000   0.0000   20.474   7.3444  ?   ?    83.255   16.902      ?      ? 
1 1 1    6   30   19 o   40.977   13.178  -3.2447   5.9693  -4.9932   10.738  -2.4627   7.1810   44.211   20.189   37.743   16.941 6.468288 26.35533 
1 1 1    6   30   20 o   97.697   12.868   25.540   6.3536   37.072   11.399   20.342   7.6525  112.819   18.698   82.575   17.683 30.24375 25.73549 
1 1 1    6   30   21 o   69.628   15.294   12.821   6.2083   21.691   10.832   8.4821   7.5761   83.182   23.216   56.075   19.915 27.10723 30.58747 
1 1 1    6   30   22 o  199.739   8.1968  114.994   7.8543  102.568   14.570  120.085   9.3253  190.344   14.165  209.133   8.2519 -18.78821 16.39370 
1 1 1    6   30   23 o  225.408   11.862  142.126   14.448   0.0000   0.0000  142.126   14.448  ?   ?   225.408   11.862      ?      ? 
1 1 1    6   30   24 o   87.628   16.108   24.329   8.0557   15.187   11.250   33.950   11.541   70.522   24.325  104.733   21.121 -34.21076 32.21509 
1 1 1    6   30   25 o  117.194   12.590   40.235   7.9539   36.647   10.987   44.186   11.530  111.486   18.238  122.902   17.361 -11.41518 25.17956 
1 1 1    6   30   26 o   64.992   16.283   10.614   7.6234   3.0261   10.150   20.432   11.546   50.745   21.467   79.238   24.488 -28.49259 32.56517 
1 1 1    6   30   27 o   78.637   16.554   20.092   7.6392   23.054   10.620   16.916   10.997   84.496   22.753   72.779   24.051 11.71735 33.10815 
1 1 1    6   30   28 o   62.981   16.523   11.229   7.4417   11.125   9.8859   11.364   11.305   62.229   22.667   63.733   24.048 -1.503750 33.04641 
1 1 1    6   30   29 o  206.627   11.861  120.318   13.243   0.0000   0.0000  120.318   13.243  ?   ?   206.627   11.861      ?      ? 
1 1 1    6   30   30 o  127.617   11.556   47.887   7.9174   41.253   10.970   55.099   11.439  117.815   17.231  137.419   15.404 -19.60411 23.11284 
1 1 1    6   30   31 o  118.394   13.484   43.978   8.1624   49.907   10.945   36.549   12.252  130.497   15.521  106.291   22.054 24.20535 26.96833 
1 1 1    6   30   32 o   61.716   16.455   10.407   7.5920   6.1007   10.183   15.796   11.391   53.868   22.030   69.565   24.450 -15.69698 32.91061 
1 1 1    6   30   33 o   45.523   14.550  -1.5437   7.5071  -2.5712   9.7562  -0.0525   11.754   42.493   19.342   48.554   21.743 -6.061684 29.10073 
1 1 1    6   30   34 o  105.724   14.338   36.687   7.8789   40.266   10.493   32.060   11.930  114.963   16.890   96.485   23.174 18.47801 28.67562 
1 1 1    6   30   35 o  137.609   11.569   56.870   8.5996   56.425   11.995   57.341   12.336  137.208   16.178  138.010   16.541 -0.8013458 23.13727 
1 1 1    6   30   36 o   68.494   16.960   15.791   7.9661   19.110   10.412   11.106   12.371   74.854   23.274   62.135   24.675 12.71889 33.91986 
1 1 1    6   30   37 o   48.995   15.810  -2.1463   9.6735 -17.3716   17.126   4.9874   11.723   45.209   21.992   52.781   22.719 -7.571659 31.61966 
1 1 1    6   30   38 o   82.073   19.760   31.457   12.664   9.7117   19.004   48.829   16.985   58.932   26.890  105.214   28.961 -46.28222 39.52007 
1 1 1    6   30   39 o   82.628   21.436   31.151   12.347   34.437   19.847   29.077   15.770   83.691   31.795   81.565   28.758 2.125862 42.87120 
1 1 1    6   30   40 o   63.005   19.429   14.328   12.563   10.153   19.694   17.194   16.314   60.504   27.517   65.505   27.435 -5.000744 38.85734 
1 1 1    6   30   41 o   66.315   18.225   18.402   8.8658   16.559   10.564   22.793   16.304   64.108   23.419   68.522   27.932 -4.413895 36.45040 
1 1 1    6   31    0 o  141.837   10.946   55.558   8.3891   0.0000   0.0000   55.558   8.3891  ?   ?   141.837   10.946      ?      ? 
1 1 1    6   31    1 o  163.751   9.9978   73.787   8.8466   0.0000   0.0000   73.787   8.8466  ?   ?   163.751   9.9978      ?      ? 
1 1 1    6   31    2 o  239.739   7.9403  157.102   10.286   0.0000   0.0000  157.102   10.286  ?   ?   239.739   7.9403      ?      ? 
1 1 1    6   31    3 o  180.912   9.3809   89.874   9.1706   0.0000   0.0000   89.874   9.1706  ?   ?   180.912   9.3809      ?      ? 
1 1 1    6   31    4 o   83.086   18.574   20.533   8.1298   0.0000   0.0000   20.533   8.1298  ?   ?    83.086   18.574      ?      ? 
1 1 1    6   31    5 o   83.050   23.797   21.240   11.228   0.0000   0.0000   21.240   11.228  ?   ?    83.050   23.797      ?      ? 
1 1 1    6   31    6 o   61.880   22.814   9.8292   10.058   0.0000   0.0000   9.8292   10.058  ?   ?    61.880   22.814      ?      ? 
1 1 1    6   31    7 o   53.264   19.919   6.7348   7.7213   0.0000   0.0000   6.7348   7.7213  ?   ?    53.264   19.919      ?      ? 
1 1 1    6   31    8 o   69.046   19.901   14.253   7.8321   0.0000   0.0000   14.253   7.8321  ?   ?    69.046   19.901      ?      ? 
1 1 1    6   31    9 o   70.542   19.502   14.933   7.6823   0.0000   0.0000   14.933   7.6823  ?   ?    70.542   19.502      ?      ? 
1 1 1    6   31   10 o   56.458   19.987   8.5271   7.6243   0.0000   0.0000   8.5271   7.6243  ?   ?    56.458   19.987      ?      ? 
1 1 1    6   31   11 o  142.787   10.391   56.347   8.0172   0.0000   0.0000   56.347   8.0172  ?   ?   142.787   10.391      ?      ? 
1 1 1    6   31   12 o   75.797   18.596   17.297   7.5594   0.0000   0.0000   17.297   7.5594  ?   ?    75.797   18.596      ?      ? 
1 1 1    6   31   13 o  127.747   11.680   45.424   8.0624   0.0000   0.0000   45.424   8.0624  ?   ?   127.747   11.680      ?      ? 
1 1 1    6   31   14 o  133.432   11.447   49.510   8.2535   0.0000   0.0000   49.510   8.2535  ?   ?   133.432   11.447      ?      ? 
1 1 1    6   31   15 f   66.346   19.716   13.233   7.5857   0.0000   0.0000   13.233   7.5857  ?   ?    66.346   19.716      ?      ? 
1 1 1    6   31   16 o   54.129   19.011   7.9408   6.8860   0.0000   0.0000   7.9408   6.8860  ?   ?    54.129   19.011      ?      ? 
1 1 1    6   31   17 o  107.661   13.020   32.594   7.5748   0.0000   0.0000   32.594   7.5748  ?   ?   107.661   13.020      ?      ? 
1 1 1    6   31   18 o   70.684   18.311   15.157   7.0503   0.0000   0.0000   15.157   7.0503  ?   ?    70.684   18.311      ?      ? 
1 1 1    6   31   19 o  107.522   12.992   32.608   7.5483   0.0000   0.0000   32.608   7.5483  ?   ?   107.522   12.992      ?      ? 
1 1 1    6   31   20 o  177.279   8.4998   90.129   7.8592   79.505   12.404   97.255   10.158  167.355   13.717  187.202   10.042 -19.84695 16.99959 
1 1 1    6   31   21 o  130.250   11.253   50.107   7.4461   45.541   12.507   52.614   9.2675  123.930   18.676  136.571   12.558 -12.64138 22.50555 
1 1 1    6   31   22 o  139.266   10.107   55.901   6.9528   54.437   12.554   56.549   8.3503  136.287   17.047  142.245   10.864 -5.957840 20.21416 
1 1 1    6   31   23 o   57.355   14.590   9.1264   6.1822   1.2313   10.596   13.202   7.6124   49.316   21.412   65.394   19.823 -16.07823 29.17913 
1 1 1    6   31   24 o   72.236   15.537   16.330   7.6748   26.070   10.116   3.1222   11.780   90.959   21.006   53.512   22.897 37.44664 31.07313 
1 1 1    6   31   25 o   70.899   15.911   15.850   7.4307   22.622   9.9349   7.2502   11.195   84.162   21.704   57.637   23.272 26.52466 31.82244 
1 1 1    6   31   26 o  178.617   13.637   91.439   13.162   0.0000   0.0000   91.439   13.162  ?   ?   178.617   13.637      ?      ? 
1 1 1    6   31   27 o   85.972   14.142   21.304   8.3310  -0.4193   11.432   45.910   12.166   48.545   21.612  123.398   18.246 -74.85281 28.28374 
1 1 1    6   31   28 o   99.606   14.909   30.931   7.9625   21.903   10.654   42.356   11.985   81.133   23.158  118.078   18.784 -36.94466 29.81776 
1 1 1    6   31   29 o   78.645   16.707   20.621   7.6474   17.682   10.167   24.451   11.605   72.803   23.053   84.488   24.189 -11.68476 33.41420 
1 1 1    6   31   30 o   51.143   15.383   3.4086   7.6182  -1.5049   10.568   8.7240   10.992   44.966   20.334   57.321   23.090 -12.35489 30.76675 
1 1 1    6   31   31 o   83.316   16.472   23.778   7.7896   18.712   10.519   29.929   11.591   73.383   23.471   93.249   23.119 -19.86604 32.94485 
1 1 1    6   31   32 o   58.853   16.792   9.0061   8.3269   11.738   11.506   6.0015   12.066   62.305   24.073   55.401   23.419 6.904297 33.58469 
1 1 1    6   31   33 o  155.281   15.050   67.625   11.423  102.928   22.823   55.826   13.195  175.546   24.060  135.016   18.086 40.53078 30.09951 
1 1 1    6   31   34 o   86.486   18.035   24.241   12.790 -12.5788   18.807   55.923   17.445   49.856   23.954  123.117   26.969 -73.26123 36.07099 
1 1 1    6   31   35 o   57.431   18.276   8.0615   12.166   0.9779   18.272   13.703   16.306   53.343   25.030   61.519   26.636 -8.176407 36.55138 
1 1 1    6   31   36 o   66.904   19.452   17.066   12.658  -0.6043   20.704   27.613   15.996   55.284   26.157   78.523   28.797 -23.23885 38.90355 
1 1 1    6   31   37 o   51.064   16.371   0.7265   9.3178  -4.1517   11.595   9.6194   15.656   43.084   20.127   59.043   25.824 -15.95879 32.74118 
1 1 1    6   31   38 o   41.360   13.804  -4.5541   8.0635  -4.0331   11.212  -5.1123   11.605   41.433   19.495   41.287   19.549 0.1451416 27.60794 
1 1 1    6   32    0 o  266.358   9.0992  195.225   13.097   0.0000   0.0000  195.225   13.097  ?   ?   266.358   9.0992      ?      ? 
1 1 1    6   32    1 o  148.055   10.474   60.675   8.3793   0.0000   0.0000   60.675   8.3793  ?   ?   148.055   10.474      ?      ? 
1 1 1    6   32    2 o  186.924   8.8417   96.053   8.9308   0.0000   0.0000   96.053   8.9308  ?   ?   186.924   8.8417      ?      ? 
1 1 1    6   32    3 o  112.863   13.204   35.759   8.0524   0.0000   0.0000   35.759   8.0524  ?   ?   112.863   13.204      ?      ? 
1 1 1    6   32    5 o   45.901   20.674  -3.2473   10.798   0.0000   0.0000  -3.2473   10.798  ?   ?    45.901   20.674      ?      ? 
1 1 1    6   32    6 o   95.742   15.565   26.133   8.0525   0.0000   0.0000   26.133   8.0525  ?   ?    95.742   15.565      ?      ? 
1 1 1    6   32    7 o  146.281   10.682   59.334   8.4433   0.0000   0.0000   59.334   8.4433  ?   ?   146.281   10.682      ?      ? 
1 1 1    6   32    8 o   56.050   20.096   8.4189   7.7313   0.0000   0.0000   8.4189   7.7313  ?   ?    56.050   20.096      ?      ? 
1 1 1    6   32    9 f  116.127   12.826   37.873   8.0486   0.0000   0.0000   37.873   8.0486  ?   ?   116.127   12.826      ?      ? 
1 1 1    6   32   10 o  200.251   9.2192  110.608   9.9760   0.0000   0.0000  110.608   9.9760  ?   ?   200.251   9.2192      ?      ? 
1 1 1    6   32   11 o  264.751   9.0910  193.318   13.006   0.0000   0.0000  193.318   13.006  ?   ?   264.751   9.0910      ?      ? 
1 1 1    6   32   12 o   75.506   18.704   17.391   7.5917   0.0000   0.0000   17.391   7.5917  ?   ?    75.506   18.704      ?      ? 
1 1 1    6   32   13 o   32.738   15.551  -8.1063   7.4609   0.0000   0.0000  -8.1063   7.4609  ?   ?    32.738   15.551      ?      ? 
1 1 1    6   32   14 o  196.746   8.5295  106.642   9.0682   0.0000   0.0000  106.642   9.0682  ?   ?   196.746   8.5295      ?      ? 
1 1 1    6   32   15 o  104.807   13.837   31.255   7.8366   0.0000   0.0000   31.255   7.8366  ?   ?   104.807   13.837      ?      ? 
1 1 1    6   32   16 o   69.813   18.708   14.992   7.2003   0.0000   0.0000   14.992   7.2003  ?   ?    69.813   18.708      ?      ? 
1 1 1    6   32   17 o  131.057   11.413   48.189   8.0826   0.0000   0.0000   48.189   8.0826  ?   ?   131.057   11.413      ?      ? 
1 1 1    6   32   18 o   75.860   18.353   17.707   7.4416   0.0000   0.0000   17.707   7.4416  ?   ?    75.860   18.353      ?      ? 
1 1 1    6   32   19 o   63.051   23.088   11.444   10.277   0.0000   0.0000   11.444   10.277  ?   ?    63.051   23.088      ?      ? 
1 1 1    6   32   20 o   52.092   19.581   6.8757   7.4803   0.0000   0.0000   6.8757   7.4803  ?   ?    52.092   19.581      ?      ? 
1 1 1    6   32   21 o  106.779   11.804   33.605   6.3301   34.572   10.669   33.080   7.8635  105.941   19.351  107.618   13.522 -1.677582 23.60718 
1 1 1    6   32   22 f  113.517   12.158   39.042   6.7603   37.207   11.631   39.978   8.3077  108.711   20.552  118.324   12.993 -9.612854 24.31518 
1 1 1    6   32   23 o   48.110   14.307   3.1750   6.3521  -2.1932   10.958   5.8921   7.7956   45.943   20.747   50.278   19.706 -4.334724 28.61416 
1 1 1    6   32   24 o   92.513   14.211   26.517   6.5957   27.725   11.777   25.965   7.9613   90.985   23.714   94.041   15.667 -3.056740 28.42163 
1 1 1    6   32   25 o   52.699   15.746   3.5865   7.6508  -0.0653   9.9171   8.9556   12.025   45.783   20.268   59.614   24.102 -13.83107 31.49110 
1 1 1    6   32   26 o   70.319   17.478   17.022   8.2239   16.702   11.294   17.383   11.999   69.810   24.356   70.828   25.073 -1.018188 34.95514 
1 1 1    6   32   27 o   84.987   17.108   25.390   8.1728   23.674   10.814   27.677   12.481   82.385   23.267   87.589   25.087 -5.204727 34.21596 
1 1 1    6   32   28 o   38.893   13.213 -14.5503   8.0999 -23.4613   10.961  -3.8320   12.022   32.077   15.970   45.710   21.054 -13.63319 26.42550 
1 1 1    6   32   29 o   81.971   22.126   21.375   11.718   41.306   24.994   15.760   13.267   95.065   35.782   68.878   26.036 26.18768 44.25156 
1 1 1    6   32   30 o   55.531   18.550 -14.7753   13.533   13.277   23.424 -28.8288   16.580   70.523   31.188   40.539   20.091 29.98399 37.09921 
1 1 1    6   32   31 o   52.645   17.551  -4.7505   12.950 -13.1712   21.382   0.1279   16.275   51.844   25.066   53.446   24.572 -1.602512 35.10131 
1 1 1    6   32   32 o   67.953   20.659   14.321   13.238   43.604   23.261   0.2923   16.100   85.075   33.819   50.831   23.736 34.24475 41.31749 
1 1 1    6   32   33 o   73.566   17.386   22.173   9.6474   31.437   12.004   5.2770   16.212   91.487   23.988   55.646   25.172 35.84117 34.77143 
1 1 1    6   32   34 o   58.054   16.350   10.392   7.9708   4.9098   11.320   15.782   11.225   50.881   22.111   65.227   24.091 -14.34588 32.70009 
1 1 1    6   32   35 o   39.910   13.252  -6.3658   7.4052 -14.0757   10.117   2.5329   10.869   33.281   16.339   46.538   20.869 -13.25791 26.50468 
1 1 1    6   33    0 o   77.315   18.462   18.260   7.6065   0.0000   0.0000   18.260   7.6065  ?   ?    77.315   18.462      ?      ? 
1 1 1    6   33    1 o   44.733   18.604   2.4828   7.4271   0.0000   0.0000   2.4828   7.4271  ?   ?    44.733   18.604      ?      ? 
1 1 1    6   33    2 o  160.384   10.271   71.507   8.9011   0.0000   0.0000   71.507   8.9011  ?   ?   160.384   10.271      ?      ? 
1 1 1    6   33    3 o  105.763   20.039   34.330   11.033   0.0000   0.0000   34.330   11.033  ?   ?   105.763   20.039      ?      ? 
1 1 1    6   33    4 o  178.243   12.438   89.522   11.980   0.0000   0.0000   89.522   11.980  ?   ?   178.243   12.438      ?      ? 
1 1 1    6   33    5 o   93.050   16.736   25.814   8.1055   0.0000   0.0000   25.814   8.1055  ?   ?    93.050   16.736      ?      ? 
1 1 1    6   33    6 o  110.833   13.556   34.917   8.1187   0.0000   0.0000   34.917   8.1187  ?   ?   110.833   13.556      ?      ? 
1 1 1    6   33    7 o  161.509   9.8702   72.451   8.6141   0.0000   0.0000   72.451   8.6141  ?   ?   161.509   9.8702      ?      ? 
1 1 1    6   33    8 o   61.778   20.015   11.529   7.6309   0.0000   0.0000   11.529   7.6309  ?   ?    61.778   20.015      ?      ? 
1 1 1    6   33    9 o  100.569   14.969   29.138   8.1348   0.0000   0.0000   29.138   8.1348  ?   ?   100.569   14.969      ?      ? 
1 1 1    6   33   10 f  182.915   9.6916   92.931   9.5793   0.0000   0.0000   92.931   9.5793  ?   ?   182.915   9.6916      ?      ? 
1 1 1    6   33   11 o   64.145   20.158   12.640   7.7866   0.0000   0.0000   12.640   7.7866  ?   ?    64.145   20.158      ?      ? 
1 1 1    6   33   12 o   40.692   17.838  -0.4049   7.5085   0.0000   0.0000  -0.4049   7.5085  ?   ?    40.692   17.838      ?      ? 
1 1 1    6   33   13 o   89.149   16.567   23.792   7.6869   0.0000   0.0000   23.792   7.6869  ?   ?    89.149   16.567      ?      ? 
1 1 1    6   33   14 o   45.786   18.774   3.3151   7.4197   0.0000   0.0000   3.3151   7.4197  ?   ?    45.786   18.774      ?      ? 
1 1 1    6   33   15 o   50.294   19.269   6.0935   7.3290   0.0000   0.0000   6.0935   7.3290  ?   ?    50.294   19.269      ?      ? 
1 1 1    6   33   16 o  113.729   17.593   38.522   10.812   0.0000   0.0000   38.522   10.812  ?   ?   113.729   17.593      ?      ? 
1 1 1    6   33   17 o   74.806   18.846   17.560   7.6145   0.0000   0.0000   17.560   7.6145  ?   ?    74.806   18.846      ?      ? 
1 1 1    6   33   18 o   37.306   16.932  -2.7439   7.4070   0.0000   0.0000  -2.7439   7.4070  ?   ?    37.306   16.932      ?      ? 
1 1 1    6   33   19 o   91.059   16.312   25.042   7.7317   0.0000   0.0000   25.042   7.7317  ?   ?    91.059   16.312      ?      ? 
1 1 1    6   33   20 o  109.522   13.238   34.509   7.8344   0.0000   0.0000   34.509   7.8344  ?   ?   109.522   13.238      ?      ? 
1 1 1    6   33   21 o   97.964   14.463   28.154   7.6564   0.0000   0.0000   28.154   7.6564  ?   ?    97.964   14.463      ?      ? 
1 1 1    6   33   22 o   72.566   15.487   17.280   6.3767   20.520   10.687   15.488   7.9461   76.597   23.542   68.536   20.130 8.061317 30.97476 
1 1 1    6   33   23 o   72.511   15.415   18.994   6.8448   10.788   12.509   22.500   8.1777   61.156   24.633   83.865   18.538 -22.70869 30.82917 
1 1 1    6   33   24 o   38.989   17.804  -2.9905   8.3507   0.0000   0.0000  -2.9905   8.3507  ?   ?    38.989   17.804      ?      ? 
1 1 1    6   33   25 o   62.950   22.859   12.523   10.043   0.0000   0.0000   12.523   10.043  ?   ?    62.950   22.859      ?      ? 
1 1 1    6   33   26 o   93.193   31.185   35.090   18.471   0.0000   0.0000   35.090   18.471  ?   ?    93.193   31.185      ?      ? 
1 1 1    6   33   27 o  101.733   22.145   40.289   13.933   68.423   22.730   23.356   17.634  127.165   32.847   76.300   29.712 50.86481 44.29093 
1 1 1    6   33   28 o   75.063   21.408   27.836   13.439   25.923   22.656   28.874   16.694   71.720   31.224   78.407   29.295 -6.686760 42.81564 
1 1 1    6   33   29 f   43.313   14.305  -5.8985   8.9629   3.8072   10.935 -25.7658   15.645   48.453   21.374   38.173   19.018 10.28027 28.61019 
1 1 1    6   33   30 f   54.359   16.137   7.7747   7.9952   7.8877   11.802   7.6788   10.869   54.878   23.177   53.840   22.458 1.037685 32.27329 
1 1 1    6   33   31 o   46.155   14.678   1.3315   7.6615   1.6140   10.989   1.0643   10.687   46.628   20.942   45.681   20.572 0.9477959 29.35549 
1 1 1    6   33   32 o   69.266   16.798   19.630   7.9574   13.429   11.526   25.277   10.999   59.282   23.727   79.251   23.785 -19.96976 33.59581 
1 1 1    6   34    0 o   52.679   19.863   7.0624   7.7094   0.0000   0.0000   7.0624   7.7094  ?   ?    52.679   19.863      ?      ? 
1 1 1    6   34    1 f  135.941   11.690   52.022   8.5873   0.0000   0.0000   52.022   8.5873  ?   ?   135.941   11.690      ?      ? 
1 1 1    6   34    2 o  173.946   13.582   86.401   12.766   0.0000   0.0000   86.401   12.766  ?   ?   173.946   13.582      ?      ? 
1 1 1    6   34    3 o   64.782   23.524   12.480   10.636   0.0000   0.0000   12.480   10.636  ?   ?    64.782   23.524      ?      ? 
1 1 1    6   34    4 o  142.352   11.159   56.900   8.5837   0.0000   0.0000   56.900   8.5837  ?   ?   142.352   11.159      ?      ? 
1 1 1    6   34    5 o  102.571   14.688   30.398   8.1407   0.0000   0.0000   30.398   8.1407  ?   ?   102.571   14.688      ?      ? 
1 1 1    6   34    6 o  126.203   12.375   45.200   8.4394   0.0000   0.0000   45.200   8.4394  ?   ?   126.203   12.375      ?      ? 
1 1 1    6   34    7 o  126.678   12.370   45.587   8.4674   0.0000   0.0000   45.587   8.4674  ?   ?   126.678   12.370      ?      ? 
1 1 1    6   34    8 o  131.606   11.876   49.057   8.4460   0.0000   0.0000   49.057   8.4460  ?   ?   131.606   11.876      ?      ? 
1 1 1    6   34    9 o   83.406   18.299   21.606   8.0207   0.0000   0.0000   21.606   8.0207  ?   ?    83.406   18.299      ?      ? 
1 1 1    6   34   10 o   83.455   18.099   21.593   7.9270   0.0000   0.0000   21.593   7.9270  ?   ?    83.455   18.099      ?      ? 
1 1 1    6   34   11 o   71.787   20.112   16.445   8.1136   0.0000   0.0000   16.445   8.1136  ?   ?    71.787   20.112      ?      ? 
1 1 1    6   34   12 o   39.029   17.476  -1.6373   7.5913   0.0000   0.0000  -1.6373   7.5913  ?   ?    39.029   17.476      ?      ? 
1 1 1    6   34   13 o   54.051   19.943   8.1263   7.6887   0.0000   0.0000   8.1263   7.6887  ?   ?    54.051   19.943      ?      ? 
1 1 1    6   34   14 o   35.867   16.567  -4.2340   7.5214   0.0000   0.0000  -4.2340   7.5214  ?   ?    35.867   16.567      ?      ? 
1 1 1    6   34   15 o   43.173   18.105   2.5995   7.1197   0.0000   0.0000   2.5995   7.1197  ?   ?    43.173   18.105      ?      ? 
1 1 1    6   34   16 o   43.541   18.502   2.3249   7.5961   0.0000   0.0000   2.3249   7.5961  ?   ?    43.541   18.502      ?      ? 
1 1 1    6   34   17 o   37.708   17.211  -2.7585   7.7909   0.0000   0.0000  -2.7585   7.7909  ?   ?    37.708   17.211      ?      ? 
1 1 1    6   34   18 o   91.183   18.592   26.431   8.8502   0.0000   0.0000   26.431   8.8502  ?   ?    91.183   18.592      ?      ? 
1 1 1    6   34   19 o  123.056   16.389   45.517   10.898   0.0000   0.0000   45.517   10.898  ?   ?   123.056   16.389      ?      ? 
1 1 1    6   34   20 o   92.198   21.270   27.971   10.381   0.0000   0.0000   27.971   10.381  ?   ?    92.198   21.270      ?      ? 
1 1 1    6   34   21 o   90.432   21.374   27.000   10.279   0.0000   0.0000   27.000   10.279  ?   ?    90.432   21.374      ?      ? 
1 1 1    6   34   22 o   41.769   19.140  -3.1507   9.7630   0.0000   0.0000  -3.1507   9.7630  ?   ?    41.769   19.140      ?      ? 
1 1 1    6   34   23 f   64.715   22.905   14.886   10.013   0.0000   0.0000   14.886   10.013  ?   ?    64.715   22.905      ?      ? 
1 1 1    6   34   24 o   56.032   15.347   10.710   7.1776   1.0845   13.024   14.910   8.6019   48.283   22.118   63.780   21.281 -15.49680 30.69345 
1 1 1    6   34   25 o   79.493   16.476   24.215   7.2352   23.604   14.000   24.438   8.4513   74.153   26.979   84.833   18.918 -10.68019 32.95112 
1 1 1    6   34   26 o   57.804   14.923   11.227   6.6730   1.7241   11.797   15.698   8.0921   48.452   21.734   67.156   20.456 -18.70353 29.84652 
1 1 1    6   34   27 o   57.530   16.510   10.400   8.1830   6.0248   11.622   14.701   11.523   52.037   22.509   63.022   24.158 -10.98521 33.01945 
1 1 1    6   34   28 o   70.226   17.000   19.988   7.7692   17.879   10.636   22.399   11.375   66.770   23.610   73.682   24.467 -6.911209 34.00085 
1 1 1    6   35    0 o   58.860   20.881   10.647   8.3258   0.0000   0.0000   10.647   8.3258  ?   ?    58.860   20.881      ?      ? 
1 1 1    6   35    1 o   89.292   23.286   27.230   11.352   0.0000   0.0000   27.230   11.352  ?   ?    89.292   23.286      ?      ? 
1 1 1    6   35    2 o  118.282   17.259   42.472   11.031   0.0000   0.0000   42.472   11.031  ?   ?   118.282   17.259      ?      ? 
1 1 1    6   35    3 o  205.350   10.626  119.353   11.791   0.0000   0.0000  119.353   11.791  ?   ?   205.350   10.626      ?      ? 
1 1 1    6   35    4 o   49.598   19.950   5.5893   8.1927   0.0000   0.0000   5.5893   8.1927  ?   ?    49.598   19.950      ?      ? 
1 1 1    6   35    5 o   56.293   20.654   9.5072   8.2294   0.0000   0.0000   9.5072   8.2294  ?   ?    56.293   20.654      ?      ? 
1 1 1    6   35    6 o  102.910   15.451   31.648   8.5920   0.0000   0.0000   31.648   8.5920  ?   ?   102.910   15.451      ?      ? 
1 1 1    6   35    7 o  146.467   11.378   61.331   9.0051   0.0000   0.0000   61.331   9.0051  ?   ?   146.467   11.378      ?      ? 
1 1 1    6   35    8 o   96.582   15.967   28.091   8.3329   0.0000   0.0000   28.091   8.3329  ?   ?    96.582   15.967      ?      ? 
1 1 1    6   35    9 o  105.404   14.817   32.939   8.4391   0.0000   0.0000   32.939   8.4391  ?   ?   105.404   14.817      ?      ? 
1 1 1    6   35   10 f   76.104   20.513   19.151   8.6270   0.0000   0.0000   19.151   8.6270  ?   ?    76.104   20.513      ?      ? 
1 1 1    6   35   11 o   57.575   23.161   8.7127   11.044   0.0000   0.0000   8.7127   11.044  ?   ?    57.575   23.161      ?      ? 
1 1 1    6   35   12 o   93.543   22.167   29.281   11.033   0.0000   0.0000   29.281   11.033  ?   ?    93.543   22.167      ?      ? 
1 1 1    6   35   13 o   71.799   22.472   17.323   9.6887   0.0000   0.0000   17.323   9.6887  ?   ?    71.799   22.472      ?      ? 
1 1 1    6   35   14 o   80.886   23.023   22.286   10.545   0.0000   0.0000   22.286   10.545  ?   ?    80.886   23.023      ?      ? 
1 1 1    6   35   15 f   30.642   15.282 -23.0101   10.213   0.0000   0.0000 -23.0101   10.213  ?   ?    30.642   15.282      ?      ? 
1 1 1    6   35   16 o   68.108   23.588   15.879   10.584   0.0000   0.0000   15.879   10.584  ?   ?    68.108   23.588      ?      ? 
1 1 1    6   35   17 f   40.009   18.562  -4.1275   9.5977   0.0000   0.0000  -4.1275   9.5977  ?   ?    40.009   18.562      ?      ? 
1 1 1    6   35   18 o  102.749   15.723   32.952   8.7298   0.0000   0.0000   32.952   8.7298  ?   ?   102.749   15.723      ?      ? 
1 1 1    6   35   19 o   42.027   18.361   2.0987   7.8947   0.0000   0.0000   2.0987   7.8947  ?   ?    42.027   18.361      ?      ? 
1 1 1    6   35   20 o   66.529   20.093   15.574   7.8314   0.0000   0.0000   15.574   7.8314  ?   ?    66.529   20.093      ?      ? 
1 1 1    6   35   21 o   43.476   18.204   3.4827   7.1793   0.0000   0.0000   3.4827   7.1793  ?   ?    43.476   18.204      ?      ? 
1 1 1    6   35   22 o   35.405   16.503  -4.1206   7.7256   0.0000   0.0000  -4.1206   7.7256  ?   ?    35.405   16.503      ?      ? 
1 1 1    6   35   23 o  108.862   13.872   36.199   8.1605   0.0000   0.0000   36.199   8.1605  ?   ?   108.862   13.872      ?      ? 
1 1 1    6   35   24 o   44.240   13.841   2.1132   6.8117  -7.7658   12.352   6.4301   8.1655   40.570   19.472   47.910   19.675 -7.339787 27.68149 
1 1 1    6   36    1 o   64.831   29.015   7.2523   20.899   0.0000   0.0000   7.2523   20.899  ?   ?    64.831   29.015      ?      ? 
1 1 1    6   36    2 o   51.490   22.241   3.4589   11.315   0.0000   0.0000   3.4589   11.315  ?   ?    51.490   22.241      ?      ? 
1 1 1    6   36    3 o   52.628   22.675   4.0658   11.701   0.0000   0.0000   4.0658   11.701  ?   ?    52.628   22.675      ?      ? 
1 1 1    6   36    4 o   58.823   23.764   9.3404   11.680   0.0000   0.0000   9.3404   11.680  ?   ?    58.823   23.764      ?      ? 
1 1 1    6   36    5 o   71.993   24.313   18.186   11.229   0.0000   0.0000   18.186   11.229  ?   ?    71.993   24.313      ?      ? 
1 1 1    6   36    6 f   68.989   24.397   16.652   11.358   0.0000   0.0000   16.652   11.358  ?   ?    68.989   24.397      ?      ? 
1 1 1    6   36    7 o  103.784   21.323   36.283   11.558   0.0000   0.0000   36.283   11.558  ?   ?   103.784   21.323      ?      ? 
1 1 1    6   36    8 o   50.115   21.959   3.5540   11.365   0.0000   0.0000   3.5540   11.365  ?   ?    50.115   21.959      ?      ? 
1 1 1    6   36    9 o  169.531   14.208   87.022   13.016   0.0000   0.0000   87.022   13.016  ?   ?   169.531   14.208      ?      ? 
1 1 1    6   36   10 o   63.934   22.819   15.308   9.9581   0.0000   0.0000   15.308   9.9581  ?   ?    63.934   22.819      ?      ? 
1 1 1    6   36   11 o   62.147   20.762   13.993   8.1874   0.0000   0.0000   13.993   8.1874  ?   ?    62.147   20.762      ?      ? 
1 1 1    6   36   12 o  130.981   12.487   51.191   8.8381   0.0000   0.0000   51.191   8.8381  ?   ?   130.981   12.487      ?      ? 
1 1 1    6   36   13 o  105.694   15.201   34.495   8.6817   0.0000   0.0000   34.495   8.6817  ?   ?   105.694   15.201      ?      ? 
1 1 1    6   36   14 o   41.803   18.424   1.0342   8.1069   0.0000   0.0000   1.0342   8.1069  ?   ?    41.803   18.424      ?      ? 
1 1 1    6   36   15 o   88.811   17.618   25.618   8.1562   0.0000   0.0000   25.618   8.1562  ?   ?    88.811   17.618      ?      ? 
1 1 1    6   36   16 o   44.635   19.200   3.0945   8.3625   0.0000   0.0000   3.0945   8.3625  ?   ?    44.635   19.200      ?      ? 
1 1 1    6   36   17 o   83.215   18.670   23.624   8.1887   0.0000   0.0000   23.624   8.1887  ?   ?    83.215   18.670      ?      ? 
1 1 1    6   36   18 o   89.078   18.183   27.011   8.4560   0.0000   0.0000   27.011   8.4560  ?   ?    89.078   18.183      ?      ? 
1 1 1    6   36   19 o   30.824   15.005 -10.0342   8.0090   0.0000   0.0000 -10.0342   8.0090  ?   ?    30.824   15.005      ?      ? 
1 1 1    6   37    0 o   45.758   20.585   0.6236   10.669   0.0000   0.0000   0.6236   10.669  ?   ?    45.758   20.585      ?      ? 
1 1 1    6   37    1 o   66.759   20.462   15.537   8.0802   0.0000   0.0000   15.537   8.0802  ?   ?    66.759   20.462      ?      ? 
1 1 1    6   37    2 o   31.037   15.123 -11.4009   8.1921   0.0000   0.0000 -11.4009   8.1921  ?   ?    31.037   15.123      ?      ? 
1 1 1    6   37    3 o   48.938   19.844   6.1676   8.1773   0.0000   0.0000   6.1676   8.1773  ?   ?    48.938   19.844      ?      ? 
1 1 1    6   37    4 o   58.572   20.893   11.717   8.3471   0.0000   0.0000   11.717   8.3471  ?   ?    58.572   20.893      ?      ? 
1 1 1    6   37    5 o   43.535   18.775   2.7067   8.0368   0.0000   0.0000   2.7067   8.0368  ?   ?    43.535   18.775      ?      ? 
1 1 1    6   37    6 o   70.206   20.840   17.737   8.4787   0.0000   0.0000   17.737   8.4787  ?   ?    70.206   20.840      ?      ? 
1 1 1    6   37    7 o   44.049   18.942   3.2978   8.1343   0.0000   0.0000   3.2978   8.1343  ?   ?    44.049   18.942      ?      ? 
1 1 1    6   37    8 o   40.723   18.179   0.7340   8.1493   0.0000   0.0000   0.7340   8.1493  ?   ?    40.723   18.179      ?      ? 
1 1 1    6   37    9 o   52.335   20.309   9.0463   8.2174   0.0000   0.0000   9.0463   8.2174  ?   ?    52.335   20.309      ?      ? 
1 1 1    6   37   10 o   56.462   20.568   11.471   8.1407   0.0000   0.0000   11.471   8.1407  ?   ?    56.462   20.568      ?      ? 
1 1 1    6   37   11 o   36.091   16.818  -3.2101   8.0162   0.0000   0.0000  -3.2101   8.0162  ?   ?    36.091   16.818      ?      ? 
1 1 1    7    0    0 o  204.276   3.3871  112.936   5.2810  112.936   5.2810  112.936   5.2810  204.276   4.7902  204.276   4.7902 0.000000 0.000000 
1 1 1    7    0    1 o  458.492   5.8632  568.614   20.528  568.614   20.528  568.614   20.528  458.492   8.2918  458.492   8.2918 0.000000 0.000000 
1 1 1    7    0    2 f  160.956   3.0735   70.152   3.7743   70.152   3.7743   70.152   3.7743  160.956   4.3466  160.956   4.3466 0.000000 0.000000 
1 1 1    7    0    3 f  457.605   5.8636  566.420   20.490  566.420   20.490  566.420   20.490  457.605   8.2923  457.605   8.2923 0.000000 0.000000 
1 1 1    7    0    4 o  411.567   5.3736  458.183   16.888  458.183   16.888  458.183   16.888  411.567   7.5994  411.567   7.5994 0.000000 0.000000 
1 1 1    7    0    5 o  678.707   8.3165  1246.06   43.105  1246.06   43.105  1246.06   43.105  678.707   11.761  678.707   11.761 0.000000 0.000000 
1 1 1    7    0    6 o  1427.86   16.971  5519.25  185.067  5519.25  185.067  5519.25  185.067  1427.86   24.001  1427.86   24.001 0.000000 0.000000 
1 1 1    7    0   10 o  1672.41   19.827  7575.20  253.235  7575.20  253.235  7575.20  253.235  1672.41   28.039  1672.41   28.039 0.000000 0.000000 
1 1 1    7    0   11 o  657.395   8.0940  1169.05   40.634  1169.05   40.634  1169.05   40.634  657.395   11.447  657.395   11.447 0.000000 0.000000 
1 1 1    7    0   12 o  1450.42   17.237  5697.07  190.933  5697.07  190.933  5697.07  190.933  1450.42   24.377  1450.42   24.377 0.000000 0.000000 
1 1 1    7    0   13 o  216.139   3.6477  126.444   6.0173  126.444   6.0173  126.444   6.0173  216.139   5.1587  216.139   5.1587 0.000000 0.000000 
1 1 1    7    0   14 f  381.320   5.1386  393.347   14.962  393.347   14.962  393.347   14.962  381.320   7.2671  381.320   7.2671 0.000000 0.000000 
1 1 1    7    0   15 o   84.428   4.0080   19.520   2.5592   19.520   2.5592   19.520   2.5592   84.428   5.6682   84.428   5.6682 0.000000 0.000000 
1 1 1    7    0   16 o  920.720   11.102  2295.18   78.061  2295.18   78.061  2295.18   78.061  920.720   15.700  920.720   15.700 0.000000 0.000000 
1 1 1    7    0   17 f  114.258   3.5923   35.486   3.1226   35.486   3.1226   35.486   3.1226  114.258   5.0803  114.258   5.0803 0.000000 0.000000 
1 1 1    7    0   18 o  228.692   3.8250  141.566   6.6764  141.566   6.6764  141.566   6.6764  228.692   5.4094  228.692   5.4094 0.000000 0.000000 
1 1 1    7    0   19 o  495.852   6.3509  665.270   24.048  665.270   24.048  665.270   24.048  495.852   8.9816  495.852   8.9816 0.000000 0.000000 
1 1 1    7    0   20 o  219.529   3.8258  130.470   6.4094  130.470   6.4094  130.470   6.4094  219.529   5.4105  219.529   5.4105 0.000000 0.000000 
1 1 1    7    0   21 o  439.789   5.7772  523.346   19.401  523.346   19.401  523.346   19.401  439.789   8.1702  439.789   8.1702 0.000000 0.000000 
1 1 1    7    0   22 o   69.225   5.4268   13.423   2.7806   13.423   2.7806   13.423   2.7806   69.225   7.6747   69.225   7.6747 0.000000 0.000000 
1 1 1    7    0   23 o  896.902   10.857  2178.98   74.368  2178.98   74.368  2178.98   74.368  896.902   15.355  896.902   15.355 0.000000 0.000000 
1 1 1    7    0   24 o   80.633   5.0910   17.989   3.0795   17.989   3.0795   17.989   3.0795   80.633   7.1998   80.633   7.1998 0.000000 0.000000 
1 1 1    7    0   25 o  523.316   6.6910  741.068   26.739  741.068   26.739  741.068   26.739  523.316   9.4625  523.316   9.4625 0.000000 0.000000 
1 1 1    7    0   26 o  364.421   5.1171  359.338   14.238  359.338   14.238  359.338   14.238  364.421   7.2367  364.421   7.2367 0.000000 0.000000 
1 1 1    7    0   27 o  682.229   8.4520  1259.61   44.034  1259.61   44.034  1259.61   44.034  682.229   11.953  682.229   11.953 0.000000 0.000000 
1 1 1    7    0   28 o  653.614   8.1398  1156.06   40.629  1156.06   40.629  1156.06   40.629  653.614   11.511  653.614   11.511 0.000000 0.000000 
1 1 1    7    0   29 o  191.359   4.2010   99.237   6.1300   99.237   6.1300   99.237   6.1300  191.359   5.9412  191.359   5.9412 0.000000 0.000000 
1 1 1    7    0   30 o   48.139   13.912   8.7545   5.0401   8.7545   5.0401   8.7545   5.0401   48.139   19.674   48.139   19.674 0.000000 0.000000 
1 1 1    7    0   31 o  457.981   6.1982  567.503   21.675  567.503   21.675  567.503   21.675  457.981   8.7655  457.981   8.7655 0.000000 0.000000 
1 1 1    7    0   32 o  753.290   13.192  1538.29   75.834  1538.29   75.834  1538.29   75.834  753.290   18.656  753.290   18.656 0.000000 0.000000 
1 1 1    7    0   33 o  965.005   11.685  2521.29   86.116  2521.29   86.116  2521.29   86.116  965.005   16.525  965.005   16.525 0.000000 0.000000 
1 1 1    7    0   34 o  2274.54   27.052 14086.71  469.915 14086.71  469.915 14086.71  469.915  2274.54   38.257  2274.54   38.257 0.000000 0.000000 
1 1 1    7    0   35 o  472.032   8.9475  603.829   32.223  603.829   32.223  603.829   32.223  472.032   12.654  472.032   12.654 0.000000 0.000000 
1 1 1    7    0   38 o   19.593   9.8386  -8.5229   6.2668  -8.5229   6.2668  -8.5229   6.2668   19.593   13.914   19.593   13.914 0.000000 0.000000 
1 1 1    7    0   39 o  238.370   5.2463  154.023   9.5357  154.023   9.5357  154.023   9.5357  238.370   7.4193  238.370   7.4193 0.000000 0.000000 
1 1 1    7    0   40 o  792.686   9.7922  1702.00   59.277  1702.00   59.277  1702.00   59.277  792.686   13.848  792.686   13.848 0.000000 0.000000 
1 1 1    7    0   41 o  443.093   6.1929  531.444   20.951  531.444   20.951  531.444   20.951  443.093   8.7581  443.093   8.7581 0.000000 0.000000 
1 1 1    7    0   42 o  391.162   5.7974  414.255   17.312  414.255   17.312  414.255   17.312  391.162   8.1987  391.162   8.1987 0.000000 0.000000 
1 1 1    7    0   43 f  434.168   6.1373  510.418   20.344  510.418   20.344  510.418   20.344  434.168   8.6794  434.168   8.6794 0.000000 0.000000 
1 1 1    7    0   44 o  231.219   5.3059  145.020   9.3530  145.020   9.3530  145.020   9.3530  231.219   7.5037  231.219   7.5037 0.000000 0.000000 
1 1 1    7    0   45 o   68.132   13.979   15.391   6.3165   15.391   6.3165   15.391   6.3165   68.132   19.769   68.132   19.769 0.000000 0.000000 
1 1 1    7    0   46 o  253.319   5.2898  174.035   10.220  174.035   10.220  174.035   10.220  253.319   7.4809  253.319   7.4809 0.000000 0.000000 
1 1 1    7    0   47 o  467.005   6.4436  591.116   22.976  591.116   22.976  591.116   22.976  467.005   9.1127  467.005   9.1127 0.000000 0.000000 
1 1 1    7    0   48 o   27.252   12.425   0.0050   5.9961   0.0050   5.9961   0.0050   5.9961   27.252   17.572   27.252   17.572 0.000000 0.000000 
1 1 1    7    0   49 o  215.945   5.2530  126.662   8.6455  126.662   8.6455  126.662   8.6455  215.945   7.4289  215.945   7.4289 0.000000 0.000000 
1 1 1    7    0   50 o   98.634   8.9059   27.687   6.4138   27.687   6.4138   27.687   6.4138   98.634   12.595   98.634   12.595 0.000000 0.000000 
1 1 1    7    0   51 o  185.287   5.6012   93.527   7.8980   93.527   7.8980   93.527   7.8980  185.287   7.9213  185.287   7.9213 0.000000 0.000000 
1 1 1    7    0   52 o  292.745   5.2662  232.631   11.764  232.631   11.764  232.631   11.764  292.745   7.4476  292.745   7.4476 0.000000 0.000000 
1 1 1    7    0   53 o  195.213   5.4721  103.796   8.1341  103.796   8.1341  103.796   8.1341  195.213   7.7387  195.213   7.7387 0.000000 0.000000 
1 1 1    7    0   54 o   19.499   9.7036  -6.3108   5.6568  -6.3108   5.6568  -6.3108   5.6568   19.499   13.723   19.499   13.723 0.000000 0.000000 
1 1 1    7    0   55 o  280.052   5.3320  213.251   11.393  213.251   11.393  213.251   11.393  280.052   7.5406  280.052   7.5406 0.000000 0.000000 
1 1 1    7    0   56 o  199.668   5.6255  108.817   8.5527  108.817   8.5527  108.817   8.5527  199.668   7.9557  199.668   7.9557 0.000000 0.000000 
1 1 1    7    0   57 o   75.957   13.080   18.483   6.5784   18.483   6.5784   18.483   6.5784   75.957   18.498   75.957   18.498 0.000000 0.000000 
1 1 1    7    0   58 o  116.186   8.1113   38.034   7.0408   38.034   7.0408   38.034   7.0408  116.186   11.471  116.186   11.471 0.000000 0.000000 
1 1 1    7    0   59 o  271.802   5.4785  201.489   11.358  201.489   11.358  201.489   11.358  271.802   7.7477  271.802   7.7477 0.000000 0.000000 
1 1 1    7    0   60 o   19.599   9.8812  -9.1252   6.5586  -9.1252   6.5586  -9.1252   6.5586   19.599   13.974   19.599   13.974 0.000000 0.000000 
1 1 1    7    0   61 f  237.711   5.6577  154.629   10.251  154.629   10.251  154.629   10.251  237.711   8.0012  237.711   8.0012 0.000000 0.000000 
1 1 1    7    0   62 o  162.854   6.6970   73.339   8.2700   73.339   8.2700   73.339   8.2700  162.854   9.4710  162.854   9.4710 0.000000 0.000000 
1 1 1    7    0   63 o   31.318   14.017   1.7643   7.2137   1.7643   7.2137   1.7643   7.2137   31.318   19.823   31.318   19.823 0.000000 0.000000 
1 1 1    7    0   66 o   96.573   23.197   37.387   15.341   37.387   15.341   37.387   15.341   96.573   32.806   96.573   32.806 0.000000 0.000000 
1 1 1    7    0   67 o   82.416   15.925   24.333   8.6711   24.333   8.6711   24.333   8.6711   82.416   22.521   82.416   22.521 0.000000 0.000000 
1 1 1    7    0   68 o  166.532   7.7365   78.725   9.7481   78.725   9.7481   78.725   9.7481  166.532   10.941  166.532   10.941 0.000000 0.000000 
1 1 1    7    1    0 o  416.825   5.4223  469.554   12.213  469.445   17.270  469.664   17.273  416.776   7.6685  416.873   7.6681 -0.9686279E-01 10.84458 
1 1 1    7    1    1 o  484.474   6.1489  634.267   16.095  627.704   22.528  641.110   23.004  481.915   8.6508  487.033   8.7408 -5.117371 12.29786 
1 1 1    7    1    3 o  619.635   7.6376  1037.56   25.566  1052.85   36.682  1023.11   35.652  624.072   10.877  615.197   10.725 8.875122 15.27528 
1 1 1    7    1    4 o  583.068   10.226  918.966   32.218   0.0000   0.0000  918.966   32.218  ?   ?   583.068   10.226      ?      ? 
1 1 1    7    1    5 o  861.819   10.396  2006.19   48.369  2059.93   70.244  1957.74   66.700  872.771   14.894  850.867   14.507 21.90466 20.79170 
1 1 1    7    1    6 o  326.854   9.2016  288.739   16.252   0.0000   0.0000  288.739   16.252  ?   ?   326.854   9.2016      ?      ? 
1 1 1    7    1    8 o  1398.79   16.642  5296.88  125.783  5265.98  176.903  5328.48  178.882  1394.67   23.473  1402.91   23.597 -8.237183 33.28362 
1 1 1    7    1    9 o  782.118   11.644  1650.71   46.221  1643.61   56.344  1665.31   80.825  779.690   13.373  784.547   19.065 -4.856506 23.28779 
1 1 1    7    1   10 o  862.562   10.407  2011.40   48.497  1986.34   67.718  2037.78   69.485  857.054   14.622  868.071   14.813 -11.01727 20.81428 
1 1 1    7    1   11 f  622.672   7.6903  1048.06   25.874  1054.74   36.811  1041.53   36.377  624.633   10.906  620.711   10.845 3.922241 15.38056 
1 1 1    7    1   12 o  1064.29   12.741  3063.17   73.230  3005.17  101.483  3126.18  105.776  1053.80   17.822  1074.77   18.213 -20.96899 25.48188 
1 1 1    7    1   13 o  591.472   7.3585  945.699   23.518  940.786   33.118  950.698   33.403  589.922   10.389  593.021   10.424 -3.098511 14.71707 
1 1 1    7    1   14 o  1481.54   17.621  5946.67  140.973  5825.45  195.077  6079.16  203.949  1465.82   24.629  1497.27   25.208 -31.45593 35.24198 
1 1 1    7    1   15 o  383.225   5.1412  396.948   10.646  395.744   15.006  398.170   15.107  382.640   7.2576  383.811   7.2840 -1.170441 10.28245 
1 1 1    7    1   16 o  607.234   7.5438  996.987   24.746  1013.07   35.533  981.838   34.482  611.983   10.745  602.484   10.592 9.498596 15.08762 
1 1 1    7    1   17 o  906.025   10.937  2223.56   53.545  2215.65   75.462  2231.59   75.988  904.406   15.441  907.644   15.493 -3.238464 21.87390 
1 1 1    7    1   18 o  602.873   7.5076  982.719   24.448  1001.38   35.182  965.297   33.998  608.397   10.701  597.349   10.533 11.04846 15.01519 
1 1 1    7    1   19 o  430.336   5.6560  500.719   13.152  498.553   18.529  502.919   18.672  429.398   7.9855  431.274   8.0121 -1.875366 11.31202 
1 1 1    7    1   20 o  540.282   6.8335  789.534   19.949  783.772   28.014  795.463   28.415  538.284   9.6310  542.279   9.6971 -3.995361 13.66708 
1 1 1    7    1   21 o  726.849   8.9084  1430.45   34.989  1434.67   49.620  1426.28   49.344  727.912   12.615  725.787   12.582 2.125427 17.81687 
1 1 1    7    1   22 o  438.964   5.7737  521.085   13.695  525.272   19.482  516.995   19.254  440.707   8.1808  437.222   8.1495 3.484497 11.54730 
1 1 1    7    1   23 o  315.274   4.6057  268.708   7.8463  270.124   11.138  267.313   11.055  316.099   6.5210  314.450   6.5058 1.648254 9.211390 
1 1 1    7    1   24 o  660.066   8.1760  1178.04   29.139  1207.90   42.230  1150.90   40.259  668.029   11.699  652.102   11.425 15.92657 16.35199 
1 1 1    7    1   25 o  788.776   9.6274  1683.95   41.016  1715.49   59.098  1654.64   56.970  795.880   13.742  781.671   13.488 14.20911 19.25487 
1 1 1    7    1   26 o  184.503   3.9743   91.990   3.9620   93.501   5.6453   90.523   5.5619  185.997   5.6169  183.010   5.6242 2.986420 7.948642 
1 1 1    7    1   27 o  197.770   4.0527  105.713   4.3309  105.744   6.0933  105.681   6.1567  197.800   5.7008  197.741   5.7619 0.5891418E-01 8.105474 
1 1 1    7    1   28 o  437.215   5.8396  516.663   13.794  523.885   19.748  509.782   19.275  440.196   8.3019  434.234   8.2147 5.962097 11.67920 
1 1 1    7    1   29 o  526.643   8.2921  750.745   22.273  751.803   27.321  748.649   38.459  527.297   9.5886  525.989   13.531 1.308472 16.58410 
1 1 1    7    1   30 o  1167.29   17.148  3704.73  102.263  3718.46  125.749  3677.93  175.727  1171.36   19.867  1163.22   27.957 8.138916 34.29696 
1 1 1    7    1   31 o  428.882   8.2752  497.257   19.178   0.0000   0.0000  497.257   19.178  ?   ?   428.882   8.2752      ?      ? 
1 1 1    7    1   32 o   95.012   10.370   29.462   4.2513   16.435   7.8260   34.916   5.0636   76.379   19.031  113.646   8.2456 -37.26701 20.74060 
1 1 1    7    1   33 o  843.986   12.612  1938.36   54.581  1956.96   67.473  1903.15   92.840  850.251   14.686  837.720   20.509 12.53125 25.22493 
1 1 1    7    1   34 o  290.239   5.9447  227.011   8.8806  230.180   15.110  225.338   10.976  291.753   9.5844  288.726   7.0354 3.026520 11.88938 
1 1 1    7    1   35 o  921.768   15.876  2302.89   78.933  2396.40  115.927  2222.07  107.773  939.081   22.845  904.456   22.051 34.62439 31.75166 
1 1 1    7    1   36 o  519.431   13.639  730.631   38.281  730.631   38.281   0.0000   0.0000  519.431   13.639  ?   ?       ?      ? 
1 1 1    7    1   37 o  1377.36   33.284  5193.69  247.727  5193.69  247.727   0.0000   0.0000  1377.36   33.284  ?   ?       ?      ? 
1 1 1    7    1   38 o  446.513   8.8633  539.802   21.384  530.405   30.141  549.324   30.342  442.596   12.603  450.431   12.466 -7.834717 17.72658 
1 1 1    7    1   39 o  525.450   6.9627  746.322   19.757  729.560   27.364  764.577   28.557  519.298   9.7515  531.601   9.9412 -12.30273 13.92549 
1 1 1    7    1   40 o  515.524   6.8650  718.153   19.103  740.758   27.816  697.975   26.280  523.180   9.8392  507.869   9.5761 15.31073 13.72996 
1 1 1    7    1   41 o  245.427   5.2350  162.845   6.9411  157.990   9.7209  167.896   9.9143  241.695   7.4430  249.160   7.3637 -7.464584 10.47009 
1 1 1    7    1   42 o  391.261   5.7880  413.861   12.232  400.682   16.998  428.015   17.615  384.807   8.1744  397.714   8.1965 -12.90680 11.57600 
1 1 1    7    1   43 o  322.088   5.3490  280.495   9.3057  288.744   13.396  272.802   12.936  326.660   7.5892  317.517   7.5398 9.142365 10.69791 
1 1 1    7    1   44 o  584.731   7.5730  926.867   23.928  922.322   33.689  931.493   33.990  583.289   10.689  586.174   10.731 -2.884949 15.14598 
1 1 1    7    1   45 o  492.763   6.6716  658.116   17.764  660.820   25.268  655.475   24.978  493.757   9.4705  491.768   9.3994 1.989166 13.34316 
1 1 1    7    1   46 o  403.067   5.8950  440.104   12.838  430.434   17.977  450.168   18.339  398.549   8.3471  407.586   8.3266 -9.036652 11.79009 
1 1 1    7    1   47 o  389.351   5.8020  410.746   12.204  402.290   17.032  419.668   17.495  385.238   8.1818  393.463   8.2287 -8.225403 11.60401 
1 1 1    7    1   48 o  152.979   6.0404   63.521   4.9921   64.967   7.0527   62.070   7.0672  154.731   8.4351  151.225   8.6484 3.505936 12.08076 
1 1 1    7    1   49 o  175.268   5.6309   83.310   5.3321   85.262   7.6154   81.432   7.4682  177.283   7.9495  173.252   7.9772 4.030563 11.26186 
1 1 1    7    1   50 o  377.696   5.7224  387.323   11.679  383.058   16.467  391.639   16.566  375.599   8.1133  379.793   8.0721 -4.193237 11.44485 
1 1 1    7    1   51 o  226.003   5.2496  138.348   6.4030  146.763   9.3299  130.856   8.8034  232.483   7.4267  219.524   7.4213 12.95921 10.49917 
1 1 1    7    1   52 o   89.838   9.1310   22.160   4.4204   24.427   6.3419   20.018   6.1646   94.358   12.438   85.318   13.371 9.040085 18.26202 
1 1 1    7    1   53 o  196.147   5.5104  104.651   5.8392  107.855   8.3190  101.539   8.1980  199.117   7.7317  193.177   7.8536 5.939484 11.02080 
1 1 1    7    1   54 o  137.772   6.5822   51.869   4.8989   53.638   6.9930   50.163   6.8650  140.091   9.2377  135.453   9.3791 4.638245 13.16444 
1 1 1    7    1   55 o  246.050   5.3261  164.964   7.0806  166.538   9.9735  163.364   10.054  247.252   7.4648  244.848   7.5990 2.404419 10.65212 
1 1 1    7    1   56 o   52.832   13.155   7.0237   4.7132   4.9787   6.4319   9.3952   6.9264   47.756   18.110   57.909   19.085 -10.15267 26.31028 
1 1 1    7    1   57 o  156.833   6.4718   67.521   5.4834   67.348   7.6682   67.701   7.8441  156.654   9.0587  157.013   9.2453 -0.3588257 12.94354 
1 1 1    7    1   58 o   85.356   10.433   20.874   4.7124   19.838   6.5531   21.985   6.7815   82.456   15.270   88.256   14.220 -5.800308 20.86533 
1 1 1    7    1   59 o  186.928   5.8614   95.783   5.9146  101.864   8.5448   90.189   8.1953  192.643   8.2084  181.212   8.3693 11.43126 11.72277 
1 1 1    7    1   60 o   55.825   13.001   8.9924   4.6393   6.5155   6.7873   11.164   6.3560   50.708   18.732   60.942   18.033 -10.23444 26.00161 
1 1 1    7    1   61 o  128.560   7.6163   46.195   5.2906   45.957   7.5150   46.429   7.4494  128.201   10.848  128.919   10.693 -0.7183228 15.23252 
1 1 1    7    1   62 o  108.974   8.8764   33.598   5.2214   35.772   7.4829   31.535   7.2892  112.503   12.309  105.445   12.793 7.058563 17.75275 
1 1 1    7    1   63 o  157.135   9.9162   70.088   8.3411   62.252   10.926   81.036   12.914  146.982   13.756  167.288   14.286 -20.30615 19.83243 
1 1 1    7    1   64 o   31.698   15.664 -18.5766   9.8165 -18.5766   9.8165   0.0000   0.0000   31.698   15.664  ?   ?       ?      ? 
1 1 1    7    1   65 o  146.961   18.533   66.802   14.718   66.802   14.718   0.0000   0.0000  146.961   18.533  ?   ?       ?      ? 
1 1 1    7    1   66 o  157.494   11.781   76.500   9.7281   58.806   13.996   93.041   13.531  137.073   18.895  177.915   14.075 -40.84253 23.56122 
1 1 1    7    1   67 o  184.523   7.2196   98.315   7.1862   90.984   10.042  106.010   10.288  177.142   10.491  191.904   9.9210 -14.76141 14.43911 
1 1 1    7    1   68 o   40.737   12.747  -0.7118   5.8465  -6.9724   8.2819   5.5073   8.2545   34.032   16.228   47.442   19.662 -13.40978 25.49357 
1 1 1    7    2    0 o  651.768   11.327  1148.44   39.891   0.0000   0.0000  1148.44   39.891  ?   ?   651.768   11.327      ?      ? 
1 1 1    7    2    1 o  1474.41   17.527  5888.39  139.607  5807.37  194.707  5974.12  200.278  1464.00   24.612  1484.81   24.962 -20.80884 35.05498 
1 1 1    7    2    2 o  1672.45   19.850  7582.45  179.354  7490.76  250.511  7678.88  256.900  1662.12   27.892  1682.78   28.252 -20.66382 39.70049 
1 1 1    7    2    3 o  337.903   6.5559  308.550   11.971   0.0000   0.0000  308.550   11.971  ?   ?   337.903   6.5559      ?      ? 
1 1 1    7    2    4 o  1128.65   13.478  3446.63   82.194  3466.83  116.940  3426.91  115.551  1131.91   19.119  1125.39   19.001 6.525269 26.95519 
1 1 1    7    2    6 o  624.456   15.507  1054.50   52.327   0.0000   0.0000  1054.50   52.327  ?   ?   624.456   15.507      ?      ? 
1 1 1    7    2    8 o  1067.44   18.111  3082.34  104.466   0.0000   0.0000  3082.34  104.466  ?   ?   1067.44   18.111      ?      ? 
1 1 1    7    2    9 o  573.914   10.158  889.027   31.459  861.712   43.141  920.045   45.972  564.524   14.142  583.304   14.585 -18.78027 20.31581 
1 1 1    7    2   10 o  419.777   11.101  476.351   25.181   0.0000   0.0000  476.351   25.181  ?   ?   419.777   11.101      ?      ? 
1 1 1    7    2   11 o  342.834   5.8268  317.138   10.097  316.185   12.264  319.144   17.788  342.055   6.6352  343.612   9.5801 -1.557648 11.65352 
1 1 1    7    2   12 o  311.531   4.4162  262.250   7.4340  264.276   10.574  260.271   10.454  312.720   6.2573  310.342   6.2336 2.378418 8.832479 
1 1 1    7    2   13 o  1267.31   15.109  4349.80  103.465  4356.12  146.543  4343.52  146.101  1268.23   21.384  1266.40   21.350 1.831177 30.21707 
1 1 1    7    2   14 o  651.788   8.0319  1148.31   28.281  1165.92   40.565  1131.66   39.450  656.644   11.432  646.932   11.285 9.711182 16.06384 
1 1 1    7    2   15 o  410.709   5.4333  455.878   12.056  461.199   17.243  450.789   16.864  413.052   7.7254  408.366   7.6422 4.685913 10.86665 
1 1 1    7    2   16 o  725.460   8.8732  1424.19   34.782  1433.81   49.510  1414.82   48.875  727.875   12.588  723.045   12.509 4.830017 17.74633 
1 1 1    7    2   17 o  512.803   6.5189  710.645   18.055  726.515   26.039  695.952   25.056  518.308   9.2973  507.297   9.1403 11.01096 13.03782 
1 1 1    7    2   18 o  484.352   6.2222  634.396   16.285  632.649   22.962  636.163   23.100  483.681   8.7853  485.022   8.8137 -1.340118 12.44438 
1 1 1    7    2   19 o  298.238   4.3968  240.396   7.0852  237.699   9.9442  243.178   10.097  296.539   6.2058  299.937   6.2301 -3.397827 8.793538 
1 1 1    7    2   20 o  414.492   5.5180  464.547   12.359  464.590   17.472  464.504   17.485  414.512   7.8005  414.473   7.8068 0.3842163E-01 11.03607 
1 1 1    7    2   21 o  963.953   11.630  2518.64   60.555  2477.31   84.183  2562.95   87.171  955.796   16.299  972.110   16.595 -16.31378 23.26056 
1 1 1    7    2   22 o  311.426   4.5606  262.198   7.6746  264.272   10.873  260.138   10.835  312.654   6.4355  310.198   6.4637 2.456360 9.121147 
1 1 1    7    2   23 o  932.242   11.272  2356.23   56.780  2345.72   79.888  2366.96   80.716  930.150   15.894  934.333   15.987 -4.182739 22.54363 
1 1 1    7    2   24 f  614.750   7.6812  1022.50   25.513  1032.06   36.408  1013.28   35.763  617.567   10.910  611.932   10.815 5.635132 15.36232 
1 1 1    7    2   25 o  936.407   11.323  2373.54   57.233  2440.81   83.261  2313.29   78.801  948.926   16.238  923.887   15.784 25.03857 22.64523 
1 1 1    7    2   26 o  611.885   7.6603  1012.43   25.320  1028.67   36.371  997.164   35.270  616.637   10.915  607.133   10.751 9.504395 15.32066 
1 1 1    7    2   27 o  883.426   10.720  2113.30   51.171  2131.19   73.014  2096.03   71.736  887.091   15.232  879.762   15.090 7.328430 21.44085 
1 1 1    7    2   28 o  168.071   6.0083   76.347   5.4567   76.347   5.4567   0.0000   0.0000  168.071   6.0083  ?   ?       ?      ? 
1 1 1    7    2   29 o  390.333   6.6422  414.794   13.315  421.299   16.512  402.703   22.512  394.784   7.7404  385.883   10.796 8.901337 13.28442 
1 1 1    7    2   30 o  290.140   5.9093  222.033   8.3845  240.540   15.941  214.956   9.8582  298.264   9.8910  282.017   6.4690 16.24686 11.81857 
1 1 1    7    2   31 o  295.879   6.1094  235.674   8.9502  239.189   16.407  234.185   10.679  297.406   10.209  294.352   6.7141 3.054169 12.21885 
1 1 1    7    2   32 o  605.433   9.3056  998.471   29.059  969.369   48.673  1014.59   36.224  598.391   15.053  612.475   10.945 -14.08423 18.61122 
1 1 1    7    2   33 o  1117.03   19.035  3392.91  114.896  3407.66  163.096  3378.38  161.884  1119.43   26.962  1114.63   26.877 4.796997 38.07037 
1 1 1    7    2   34 o  472.986   8.8927  605.243   22.726  614.640   32.425  596.171   31.861  476.592   12.591  469.379   12.562 7.213226 17.78548 
1 1 1    7    2   35 o  454.332   8.6732  558.615   21.292  564.640   30.253  552.703   29.973  456.760   12.257  451.905   12.274 4.854980 17.34635 
1 1 1    7    2   36 o  507.285   6.7333  695.817   18.453  686.309   25.744  705.862   26.463  503.726   9.4579  510.844   9.5865 -7.117767 13.46667 
1 1 1    7    2   37 o  365.886   8.0039  362.046   15.807  366.667   22.962  357.883   21.793  368.093   11.544  363.680   11.090 4.413147 16.00774 
1 1 1    7    2   38 o  910.075   15.792  2253.01   77.662  2244.82  109.620  2261.26  110.042  908.415   22.331  911.735   22.336 -3.319397 31.58456 
1 1 1    7    2   39 o  107.219   10.528   30.789   5.6384   32.117   10.239   30.211   6.7548  108.798   17.416  105.641   11.833 3.157112 21.05583 
1 1 1    7    2   40 o  524.809   6.9585  745.352   19.732  749.592   28.128  741.245   27.687  526.274   9.8909  523.345   9.7904 2.929443 13.91695 
1 1 1    7    2   41 o  237.381   5.1782  152.384   6.6398  152.846   9.5240  151.947   9.2617  237.728   7.4140  237.033   7.2309 0.6947021 10.35633 
1 1 1    7    2   42 o  536.186   7.0735  778.506   20.493  783.772   29.219  773.408   28.749  537.964   10.051  534.407   9.9554 3.556763 14.14695 
1 1 1    7    2   43 o  348.901   5.4985  329.388   10.365  322.529   14.574  336.408   14.745  345.224   7.8125  352.579   7.7393 -7.354950 10.99691 
1 1 1    7    2   44 o  326.157   5.3845  287.878   9.4886  289.980   13.548  285.855   13.294  327.322   7.6595  324.992   7.5699 2.329956 10.76903 
1 1 1    7    2   45 o  589.866   7.6375  944.112   24.344  944.396   34.497  943.829   34.358  589.950   10.821  589.782   10.781 0.1677246 15.27498 
1 1 1    7    2   46 o  144.323   6.4397   56.499   5.0178   53.612   7.0767   59.418   7.1159  140.602   9.3143  148.044   8.8951 -7.441330 12.87941 
1 1 1    7    2   47 f  194.543   5.4529  102.694   5.7246   97.795   8.1624  107.437   8.0309  189.952   7.9521  199.133   7.4633 -9.180817 10.90584 
1 1 1    7    2   48 o  270.489   5.1707  198.227   7.5556  203.247   10.836  193.477   10.541  273.819   7.3235  267.160   7.3015 6.659393 10.34142 
1 1 1    7    2   49 o  159.118   5.9511   68.768   5.0905   59.925   7.1012   78.115   7.3011  148.550   8.8465  169.686   7.9625 -21.13608 11.90217 
1 1 1    7    2   50 o  113.892   7.6100   35.607   4.6139   28.347   6.4669   43.134   6.5848  101.888   11.746  125.896   9.6793 -24.00757 15.22010 
1 1 1    7    2   51 o  402.193   5.8999  439.333   12.814  426.020   17.726  453.903   18.544  395.837   8.2872  408.550   8.4000 -12.71310 11.79985 
1 1 1    7    2   52 o  132.801   6.6976   48.081   4.8035   50.257   6.8305   45.950   6.7564  135.795   9.3085  129.807   9.6323 5.988754 13.39513 
1 1 1    7    2   53 o  214.223   5.3374  124.846   6.1762  120.765   8.7276  128.939   8.7412  210.694   7.6658  217.753   7.4289 -7.058838 10.67484 
1 1 1    7    2   54 o  264.672   5.2143  190.349   7.4501  198.011   10.834  183.474   10.262  269.701   7.4337  259.643   7.3140 10.05753 10.42850 
1 1 1    7    2   55 o  214.690   5.3294  125.589   6.1793  125.743   8.8908  125.444   8.5944  214.788   7.6602  214.592   7.4116 0.1956177 10.65887 
1 1 1    7    2   56 o   39.371   11.718   0.8454   4.2811  -0.7565   6.2010   2.3043   5.9177   37.302   16.285   41.441   16.853 -4.139584 23.43554 
1 1 1    7    2   57 o   59.228   12.646   10.112   4.4135   12.052   6.4272   8.3797   6.0713   63.842   17.905   54.614   17.862 9.228382 25.29157 
1 1 1    7    2   58 o   51.072   12.639   6.5107   4.4152   9.8300   6.5071   3.6787   6.0105   58.164   18.445   43.980   17.283 14.18409 25.27710 
1 1 1    7    2   59 o  232.947   5.4749  148.629   6.8867  150.901   9.9587  146.547   9.5336  234.604   7.8556  231.291   7.6280 3.313171 10.94977 
1 1 1    7    2   60 o  129.584   7.3319   46.723   5.1254   45.895   7.4248   47.476   7.0840  128.368   10.704  130.801   10.023 -2.432892 14.66372 
1 1 1    7    2   61 o  197.678   5.9132  107.768   6.3157  108.417   9.0134  107.142   8.8522  198.238   8.4142  197.119   8.3107 1.119247 11.82649 
1 1 1    7    2   62 o  280.093   6.7755  220.065   9.8390  209.932   16.168  226.025   12.399  273.765   10.929  286.421   8.0112 -12.65637 13.55109 
1 1 1    7    2   63 o  117.245   12.239   40.394   7.6842   34.144   10.210   48.559   11.669  106.688   17.711  127.801   16.898 -21.11304 24.47862 
1 1 1    7    2   64 o  169.701   9.6305   83.909   8.7961   82.928   11.903   85.090   13.056  169.145   13.023  170.256   14.192 -1.110367 19.26108 
1 1 1    7    2   65 o   55.126   15.714   2.2771   8.1421   17.399   12.204  -9.8536   10.931   71.040   25.272   39.211   18.682 31.82921 31.42708 
1 1 1    7    2   66 o   56.750   16.090   5.1892   8.1659   17.874   12.340  -4.6914   10.891   70.894   25.392   42.607   19.770 28.28698 32.18088 
1 1 1    7    2   67 o  120.607   12.043   45.541   7.2564   49.640   13.061   43.711   8.7274  120.826   20.004  120.388   13.416 0.4377060 24.08599 
1 1 1    7    2   68 o   55.807   14.101   10.069   5.8233   3.9177   8.3139   15.993   8.1591   45.125   19.270   66.489   20.592 -21.36396 28.20216 
1 1 1    7    3    1 o  1196.00   14.280  3870.93   92.281  3900.95  131.609  3841.90  129.427  1200.55   20.287  1191.45   20.103 9.103638 28.56031 
1 1 1    7    3    2 o  802.786   9.7341  1740.17   42.180  1791.31   61.413  1694.50   58.033  813.927   13.963  791.645   13.566 22.28149 19.46823 
1 1 1    7    3    5 f  477.715   8.6709  616.758   22.383   0.0000   0.0000  616.758   22.383  ?   ?   477.715   8.6709      ?      ? 
1 1 1    7    3    7 o  1163.37   19.666  3662.00  123.628   0.0000   0.0000  3662.00  123.628  ?   ?   1163.37   19.666      ?      ? 
1 1 1    7    3    9 o  1241.20   29.674  4177.93  199.021   0.0000   0.0000  4177.93  199.021  ?   ?   1241.20   29.674      ?      ? 
1 1 1    7    3   10 o  510.108   13.042  703.604   35.950   0.0000   0.0000  703.604   35.950  ?   ?   510.108   13.042      ?      ? 
1 1 1    7    3   11 o  1046.56   17.752  2963.98  100.392   0.0000   0.0000  2963.98  100.392  ?   ?   1046.56   17.752      ?      ? 
1 1 1    7    3   12 o  432.497   5.6443  505.483   13.190  500.554   18.501  510.577   18.810  430.353   7.9558  434.640   8.0087 -4.286285 11.28866 
1 1 1    7    3   13 o  947.437   11.405  2428.86   58.388  2429.15   82.610  2428.58   82.537  947.492   16.135  947.382   16.123 0.1090698 22.80966 
1 1 1    7    3   14 o  984.447   11.831  2623.37   62.926  2649.85   89.934  2597.98   88.077  989.302   16.823  979.593   16.639 9.709106 23.66184 
1 1 1    7    3   15 o  356.558   4.9138  343.649   9.4671  344.322   13.452  342.989   13.326  356.903   6.9751  356.213   6.9230 0.6903076 9.827559 
1 1 1    7    3   16 o  1154.41   13.827  3614.85   86.245  3647.91  123.156  3583.04  120.816  1159.57   19.655  1149.26   19.454 10.30811 27.65475 
1 1 1    7    3   17 o  411.391   5.4596  457.493   12.135  462.403   17.323  452.761   17.005  413.557   7.7517  409.224   7.6902 4.332153 10.91913 
1 1 1    7    3   18 o  1087.84   13.055  3209.75   76.735  3238.24  109.530  3182.30  107.535  1092.56   18.552  1083.12   18.373 9.435059 26.11065 
1 1 1    7    3   19 o  256.346   4.0825  177.565   5.6542  174.492   7.9107  180.775   8.0846  254.079   5.7618  258.613   5.7852 -4.533417 8.165007 
1 1 1    7    3   20 o  186.711   3.7300   94.194   3.7626   91.833   5.2727   96.643   5.3708  184.328   5.2936  189.094   5.2562 -4.766388 7.459905 
1 1 1    7    3   21 o  335.552   4.7805  304.363   8.6673  308.141   12.359  300.708   12.158  337.600   6.7746  333.504   6.7467 4.095825 9.561025 
1 1 1    7    3   22 o  350.773   4.9320  332.632   9.3477  329.293   13.121  336.074   13.321  348.986   6.9577  352.560   6.9922 -3.573944 9.864050 
1 1 1    7    3   23 o  752.655   9.2207  1533.63   37.493  1553.74   53.709  1514.52   52.362  757.454   13.122  747.855   12.957 9.599060 18.44130 
1 1 1    7    3   24 o  985.380   11.888  2631.67   63.273  2678.74   91.090  2587.78   87.956  993.857   16.961  976.902   16.662 16.95557 23.77627 
1 1 1    7    3   25 o  703.396   8.6746  1339.08   32.970  1332.09   46.390  1346.20   46.867  701.546   12.237  705.245   12.298 -3.699585 17.34913 
1 1 1    7    3   26 o  382.652   5.3014  395.791   10.961  399.485   15.633  392.218   15.372  384.408   7.5260  380.897   7.4687 3.510864 10.60288 
1 1 1    7    3   27 o  182.381   4.1200   89.858   4.0590   93.204   5.8053   86.658   5.6775  185.702   5.7852  179.061   5.8677 6.640671 8.240028 
1 1 1    7    3   28 o  469.262   7.6082  599.019   18.285  606.566   22.592  584.685   31.135  473.651   8.8268  464.872   12.395 8.779236 15.21641 
1 1 1    7    3   29 o  682.304   8.4839  1254.71   31.189  1316.40   46.278  1203.37   42.216  697.597   12.277  667.010   11.713 30.58710 16.96777 
1 1 1    7    3   30 o  856.156   12.814  1986.63   55.824  1982.43   96.846  1988.72   68.315  855.104   20.959  857.208   14.748 -2.104004 25.62812 
1 1 1    7    3   31 o  376.084   5.3782  382.261   10.928  377.742   15.311  386.955   15.604  373.819   7.5795  378.349   7.6321 -4.529663 10.75634 
1 1 1    7    3   32 o  1086.94   15.975  3227.68   89.637  3132.88  149.806  3280.55  111.875  1073.68   25.821  1100.19   18.818 -26.51624 31.95039 
1 1 1    7    3   33 o  484.620   8.9889  635.455   23.539  639.640   33.360  631.306   33.219  486.210   12.697  483.030   12.727 3.179199 17.97774 
1 1 1    7    3   34 o  349.370   7.2784  330.037   13.739  337.838   19.613  322.522   19.251  353.423   10.270  345.318   10.317 8.105499 14.55686 
1 1 1    7    3   35 o  341.930   6.3611  318.942   11.268  326.221   14.146  306.306   18.637  347.362   7.5363  336.498   10.250 10.86456 12.72216 
1 1 1    7    3   36 o  381.817   5.6011  393.797   11.548  403.681   16.725  384.794   15.963  386.387   8.0106  377.246   7.8306 9.140778 11.20218 
1 1 1    7    3   37 o  415.333   11.913  466.892   26.737   0.0000   0.0000  466.892   26.737  ?   ?   415.333   11.913      ?      ? 
1 1 1    7    3   38 o  340.559   8.0409  313.407   14.768  321.622   21.688  306.306   20.165  344.698   11.644  336.419   11.093 8.278229 16.08189 
1 1 1    7    3   39 o  371.390   8.2845  373.485   16.622  367.793   23.637  379.054   23.380  368.580   11.868  374.199   11.562 -5.619446 16.56908 
1 1 1    7    3   40 o  604.619   7.7775  989.786   25.409  994.202   36.173  985.484   35.698  605.944   11.048  603.293   10.950 2.651001 15.55494 
1 1 1    7    3   41 o  644.846   8.1932  1126.15   28.545  1135.47   40.803  1117.23   39.948  647.446   11.663  642.246   11.511 5.199524 16.38638 
1 1 1    7    3   42 o  183.801   5.7080   91.416   5.6689   90.199   7.9847   92.654   8.0498  182.567   8.0937  185.036   8.0508 -2.469818 11.41595 
1 1 1    7    3   43 o  384.203   5.7652  399.370   11.963  404.734   17.239  394.386   16.615  386.682   8.2502  381.723   8.0550 4.958588 11.53034 
1 1 1    7    3   44 o  472.312   6.4989  604.186   16.585  596.939   23.252  611.691   23.662  469.432   9.1666  475.191   9.2151 -5.758759 12.99789 
1 1 1    7    3   45 o  610.945   7.8637  1012.67   25.949  1030.59   37.377  996.002   36.053  616.133   11.227  605.758   11.014 10.37469 15.72741 
1 1 1    7    3   46 o  438.240   6.1826  520.643   14.641  517.863   20.671  523.442   20.740  437.064   8.7523  439.415   8.7347 -2.350861 12.36516 
1 1 1    7    3   47 o  467.319   6.4334  592.330   16.240  601.432   23.336  583.782   22.615  470.782   9.1731  463.856   9.0225 6.926514 12.86671 
1 1 1    7    3   48 o  252.722   5.1729  173.172   7.0614  172.206   10.116  174.089   9.8619  252.022   7.4279  253.423   7.2016 -1.400757 10.34584 
1 1 1    7    3   49 o  414.093   6.0095  464.679   13.431  481.923   19.586  449.374   18.453  421.307   8.6034  406.879   8.3928 14.42853 12.01905 
1 1 1    7    3   50 o  432.344   6.1468  507.539   14.349  521.430   20.795  494.914   19.825  437.956   8.7871  426.731   8.5976 11.22449 12.29356 
1 1 1    7    3   51 o  271.178   5.2322  199.585   7.6646  204.741   11.008  194.733   10.678  274.572   7.4192  267.784   7.3796 6.787872 10.46439 
1 1 1    7    3   52 o   58.239   11.315   8.4172   4.2652   17.056   6.2767   1.0062   5.8137   77.191   15.585   39.286   16.409 37.90492 22.63077 
1 1 1    7    3   53 o  645.826   8.3456  1145.94   29.124  1149.67   41.375  1142.29   41.002  646.834   11.837  644.819   11.767 2.014709 16.69119 
1 1 1    7    3   54 o  157.265   6.2281   67.458   5.2788   74.467   7.6067   60.947   7.3316  165.189   8.5217  149.341   9.0851 15.84764 12.45623 
1 1 1    7    3   55 o  222.840   5.3326  135.179   6.4171  139.728   9.2822  131.014   8.8814  226.415   7.5868  219.264   7.4960 7.150787 10.66529 
1 1 1    7    3   56 o  123.905   7.2457   42.505   4.8228   38.758   6.9819   45.924   6.6698  118.500   10.904  129.310   9.5453 -10.81030 14.49144 
1 1 1    7    3   57 o  157.926   6.1383   68.279   5.2268   70.021   7.6873   66.781   7.1280  159.735   8.9061  156.116   8.4495 3.619370 12.27652 
1 1 1    7    3   58 o  181.732   5.8476   90.101   5.7257   97.298   8.5006   84.124   7.7465  188.311   8.3538  175.152   8.1847 13.15829 11.69512 
1 1 1    7    3   59 f  262.584   5.4057  188.538   7.6591  196.472   11.205  181.580   10.494  267.709   7.7455  257.459   7.5427 10.24951 10.81133 
1 1 1    7    3   60 o  112.436   8.3238   35.320   5.0409   39.525   7.3523   31.590   6.9246  118.840   11.449  106.033   12.085 12.80612 16.64765 
1 1 1    7    3   61 o  209.320   6.9733  121.094   7.5538  124.392   12.710  119.293   9.3925  210.677   11.165  207.963   8.3580 2.713898 13.94657 
1 1 1    7    3   62 o  147.589   9.7749   62.579   7.7645   65.203   10.682   59.640   11.306  151.328   13.063  143.850   14.545 7.477631 19.54971 
1 1 1    7    3   63 o  121.874   11.484   43.802   7.5445   43.063   10.285   44.662   11.100  121.091   15.719  122.657   16.748 -1.565903 22.96877 
1 1 1    7    3   64 o  218.499   6.0878  133.179   7.1869  136.022   10.253  130.432   10.077  220.804   8.5933  216.194   8.6255 4.610306 12.17558 
1 1 1    7    3   65 o  211.263   7.9459  125.473   8.5670  122.600   10.480  131.261   14.875  209.337   9.2643  213.189   12.912 -3.852783 15.89171 
1 1 1    7    3   66 o  155.955   11.675   75.010   9.7268   65.293   14.010   84.054   13.515  144.457   17.947  167.453   14.936 -22.99585 23.34958 
1 1 1    7    3   67 o  106.901   16.080   41.033   8.9686   43.356   13.393   39.144   12.076  108.806   23.470  104.997   21.988 3.808708 32.16066 
1 1 1    7    3   68 f   93.726   12.541   30.254   6.0710   19.703   8.7854   39.898   8.3989   73.071   21.082  114.381   13.589 -41.30976 25.08238 
1 1 1    7    4    1 o  854.253   14.624  1973.22   67.507   0.0000   0.0000  1973.22   67.507  ?   ?   854.253   14.624      ?      ? 
1 1 1    7    4    2 o  1045.15   12.538  2953.42   70.787  3002.16  101.758  2907.72   98.536  1053.49   17.875  1036.81   17.588 16.68225 25.07681 
1 1 1    7    4    3 o  1216.05   14.521  4000.03   95.390  4059.35  136.972  3944.16  132.923  1224.78   20.696  1207.31   20.375 17.47449 29.04225 
1 1 1    7    4    5 o  1595.43   18.968  6892.65  163.467  7000.46  235.012  6791.59  227.524  1607.48   27.056  1583.39   26.592 24.08923 37.93608 
1 1 1    7    4    6 o  711.576   8.7439  1368.83   33.621  1363.82   47.442  1373.88   47.653  710.268   12.361  712.884   12.370 -2.615356 17.48773 
1 1 1    7    4    7 o  1080.65   12.936  3157.31   75.538   0.0000   0.0000  3157.31   75.538  ?   ?   1080.65   12.936      ?      ? 
1 1 1    7    4    8 o  925.005   15.758  2314.29   78.766   0.0000   0.0000  2314.29   78.766  ?   ?   925.005   15.758      ?      ? 
1 1 1    7    4    9 o  408.173   5.4178  450.247   11.949  451.938   16.999  448.596   16.800  408.930   7.6928  407.417   7.6308 1.513824 10.83554 
1 1 1    7    4   10 o  1345.63   22.669  4905.00  164.830   0.0000   0.0000  4905.00  164.830  ?   ?   1345.63   22.669      ?      ? 
1 1 1    7    4   12 o  1339.88   15.959  4863.85  115.538  4826.48  162.078  4902.46  164.745  1334.66   22.473  1345.09   22.666 -10.43262 31.91840 
1 1 1    7    4   13 o  550.187   6.9324  817.905   20.600  834.200   29.687  802.772   28.609  555.465   9.8907  544.908   9.7162 10.55713 13.86472 
1 1 1    7    4   14 o  234.157   5.3987  148.180   6.8310   0.0000   0.0000  148.180   6.8310  ?   ?   234.157   5.3987      ?      ? 
1 1 1    7    4   15 o  491.006   6.3096  650.657   16.720  627.817   22.949  676.493   24.408  481.846   8.8140  500.166   9.0310 -18.32007 12.61925 
1 1 1    7    4   16 o  727.385   8.9113  1431.46   35.016  1410.63   48.800  1453.56   50.272  721.942   12.509  732.828   12.695 -10.88593 17.82263 
1 1 1    7    4   17 o  751.364   9.1953  1528.12   37.331  1514.75   52.389  1541.91   53.209  748.031   12.961  754.696   13.047 -6.665283 18.39060 
1 1 1    7    4   18 o  475.841   6.1612  612.051   15.837  601.689   22.066  623.059   22.744  471.692   8.6571  479.990   8.7690 -8.297638 12.32239 
1 1 1    7    4   19 o  371.301   5.1066  372.642   10.244  367.793   14.331  377.709   14.649  368.832   7.1904  373.769   7.2530 -4.937042 10.21315 
1 1 1    7    4   20 f  632.577   7.8639  1082.86   26.878  1073.89   37.700  1092.13   38.330  629.917   11.076  635.236   11.166 -5.318848 15.72774 
1 1 1    7    4   21 o  277.965   4.3196  208.828   6.4875  211.796   9.2583  205.965   9.0934  279.905   6.1211  276.025   6.0966 3.879578 8.639259 
1 1 1    7    4   22 o  110.283   4.1122   32.919   2.4470   34.708   3.4432   31.094   3.4783  113.315   5.6233  107.251   6.0017 6.064644 8.224479 
1 1 1    7    4   23 f  131.368   4.0175   46.642   2.8517   46.286   4.0014   47.009   4.0651  130.859   5.6587  131.877   5.7045 -1.018219 8.035033 
1 1 1    7    4   24 o  124.143   4.1479   41.619   2.7803   39.347   3.8739   44.034   3.9927  120.650   5.9419  127.636   5.7890 -6.985535 8.295735 
1 1 1    7    4   25 o  172.972   4.0329   80.794   3.7678   83.787   5.4215   77.997   5.2401  176.068   5.6983  169.876   5.7084 6.192230 8.065793 
1 1 1    7    4   26 o  682.399   8.4634  1259.98   31.208  1254.92   43.969  1265.12   44.301  681.020   11.948  683.779   11.990 -2.759094 16.92674 
1 1 1    7    4   27 o  721.611   10.968  1403.79   40.007  1392.28   48.540  1428.15   70.647  717.312   12.523  725.910   18.010 -8.598511 21.93632 
1 1 1    7    4   28 o  613.529   7.7253  1017.90   25.609  1007.92   35.904  1028.23   36.538  610.472   10.884  616.587   10.966 -6.114746 15.45065 
1 1 1    7    4   29 o  454.666   7.5682  557.224   17.322  563.964   30.795  554.105   20.950  456.598   12.481  452.734   8.5635 3.863800 15.13640 
1 1 1    7    4   30 o  800.327   11.947  1739.77   49.035  1718.24   83.508  1751.09   60.577  796.239   19.409  804.414   13.936 -8.174744 23.89384 
1 1 1    7    4   31 o  448.864   8.3998  544.984   20.373  550.225   28.983  539.865   28.643  450.997   11.893  446.732   11.866 4.264893 16.79968 
1 1 1    7    4   32 o  422.409   8.0599  482.020   18.383  498.649   26.635  466.892   25.405  429.354   11.480  415.464   11.316 13.88986 16.11974 
1 1 1    7    4   33 o  567.289   10.188  871.161   31.232  874.324   44.241  868.018   44.097  568.316   14.406  566.263   14.411 2.053711 20.37690 
1 1 1    7    4   34 o  1208.39   14.529  3955.42   94.721  4089.90  138.689  3837.84  129.676  1227.51   20.909  1189.27   20.179 38.24011 29.05769 
1 1 1    7    4   35 o  441.135   7.3803  524.818   16.636  521.431   20.405  531.531   28.728  439.112   8.5995  443.157   11.997 -4.045410 14.76061 
1 1 1    7    4   36 o  126.512   6.5710   43.340   4.4856   45.802   6.3215   40.844   6.3658  130.138   8.9893  122.885   9.5866 7.252754 13.14196 
1 1 1    7    4   37 o  363.558   6.9104  358.520   12.764  360.400   15.613  354.730   22.166  365.078   7.9142  362.039   11.331 3.038635 13.82088 
1 1 1    7    4   38 o  653.449   11.851  1158.13   41.847  1153.60   59.305  1162.61   59.056  652.168   16.828  654.730   16.692 -2.561951 23.70292 
1 1 1    7    4   39 o  371.470   8.3166  373.352   16.676  379.279   24.231  368.018   22.985  374.254   11.981  368.685   11.537 5.567993 16.63311 
1 1 1    7    4   40 o  429.679   6.1061  499.344   14.175  487.864   19.857  511.273   20.242  424.644   8.6537  434.715   8.6171 -10.07114 12.21230 
1 1 1    7    4   41 o  352.248   5.5457  335.503   10.552  341.134   15.164  330.217   14.693  355.109   7.9027  349.388   7.7824 5.721375 11.09139 
1 1 1    7    4   42 o  374.046   5.6511  378.586   11.418  380.429   16.384  376.846   15.921  374.924   8.0870  373.168   7.8956 1.755280 11.30219 
1 1 1    7    4   43 o  245.866   5.1499  163.523   6.8386  164.935   9.8473  162.207   9.5043  246.886   7.3813  244.846   7.1835 2.040680 10.29983 
1 1 1    7    4   44 o  425.971   6.0669  491.103   13.960  478.344   19.440  504.688   20.060  420.265   8.5601  431.678   8.5995 -11.41257 12.13372 
1 1 1    7    4   45 o  242.011   5.1414  158.682   6.7189  152.839   9.5441  164.423   9.4605  237.579   7.4343  246.442   7.1041 -8.862488 10.28285 
1 1 1    7    4   46 o  505.025   6.7778  691.713   18.490  702.218   26.575  681.857   25.742  508.722   9.6674  501.328   9.5024 7.393433 13.55556 
1 1 1    7    4   47 o  187.603   5.5124   95.385   5.5875   97.154   7.9712   93.676   7.8345  189.313   7.7921  185.893   7.7994 3.419891 11.02484 
1 1 1    7    4   48 o  241.305   5.1737  157.810   6.7443  160.005   9.6743  155.735   9.4071  242.930   7.3697  239.680   7.2634 3.250992 10.34741 
1 1 1    7    4   49 o  340.560   5.4782  314.346   10.074  322.238   14.591  307.158   13.926  344.624   7.8351  336.495   7.6586 8.128815 10.95643 
1 1 1    7    4   50 o  482.896   6.6206  634.670   17.275  635.686   24.567  633.676   24.296  483.262   9.4076  482.531   9.3179 0.7306824 13.24111 
1 1 1    7    4   51 o   77.201   11.466   17.156   4.6361   14.442   6.5542   19.873   6.5588   70.740   17.292   83.662   15.062 -12.92168 22.93169 
1 1 1    7    4   52 o  479.020   6.6422  625.658   17.192  619.096   24.187  632.359   24.442  476.481   9.3941  481.558   9.3928 -5.077576 13.28432 
1 1 1    7    4   53 o  314.965   5.3894  269.919   9.1699  273.385   13.159  266.647   12.785  316.911   7.6842  313.018   7.5589 3.892303 10.77884 
1 1 1    7    4   54 o   52.572   12.518   7.1585   4.3574   4.1183   6.2303   10.070   6.0966   45.879   17.717   59.266   17.690 -13.38713 25.03671 
1 1 1    7    4   55 o  259.630   5.2551  183.798   7.3687  177.391   10.441  190.156   10.401  255.076   7.5748  264.184   7.2860 -9.107544 10.51017 
1 1 1    7    4   56 o  211.356   5.3881  122.079   6.1482  119.349   8.8204  124.658   8.5745  209.000   7.8100  213.713   7.4249 -4.712769 10.77617 
1 1 1    7    4   57 f   40.197   11.809   1.1290   4.2897   3.7055   6.2951  -1.1045   5.8613   44.776   17.658   35.618   15.684 9.157887 23.61773 
1 1 1    7    4   58 o  204.829   5.5857  114.851   6.1717  116.409   9.0220  113.481   8.4613  206.060   8.1025  203.598   7.6909 2.461823 11.17141 
1 1 1    7    4   59 o  180.701   5.9907   90.013   5.8330   82.895   8.2906   96.989   8.2082  173.468   8.8446  187.934   8.0827 -14.46619 11.98148 
1 1 1    7    4   60 o  184.209   7.0310   94.550   6.6680   93.041   11.223   95.374   8.2900  182.294   11.393  186.124   8.2426 -3.830063 14.06197 
1 1 1    7    4   61 o  294.818   7.8305  242.495   12.435  232.207   16.802  254.955   18.491  288.195   10.789  301.440   11.352 -13.24466 15.66106 
1 1 1    7    4   62 o  136.843   10.009   54.100   7.3708   58.468   10.320   49.550   10.531  142.964   13.358  130.721   14.909 12.24352 20.01801 
1 1 1    7    4   63 o  186.161   6.4756   96.316   6.5081  102.285   9.3755   90.765   9.0413  191.785   9.0468  180.536   9.2678 11.24931 12.95129 
1 1 1    7    4   64 o  215.244   6.1038  129.566   7.0865  122.158   10.092  136.771   9.9532  208.912   8.9398  221.576   8.3129 -12.66356 12.20752 
1 1 1    7    4   65 o  182.552   6.9677   93.580   6.8604  101.270   9.8152   86.234   9.5929  190.091   9.5554  175.014   10.144 15.07765 13.93548 
1 1 1    7    4   66 o  131.932   12.608   55.158   8.9205   57.477   13.539   53.378   11.859  133.256   18.802  130.608   16.803 2.647537 25.21585 
1 1 1    7    4   67 o   64.595   16.685   14.801   8.2977   5.5541   12.500   22.086   11.094   52.909   23.110   76.281   24.073 -23.37243 33.37049 
1 1 1    7    4   68 o   58.927   14.386   12.514   6.0360   6.1606   9.0133   17.679   8.1277   48.418   20.341   69.436   20.349 -21.01711 28.77228 
1 1 1    7    5    0 o  889.243   10.760  2137.75   51.691  2164.26   74.030  2112.52   72.208  894.618   15.314  883.869   15.118 10.74921 21.51931 
1 1 1    7    5    1 o  1125.18   13.473  3424.45   81.901  3463.67  117.200  3387.01  114.499  1131.47   19.169  1118.90   18.938 12.57373 26.94579 
1 1 1    7    5    3 o  1581.46   18.785  6775.52  160.532  6764.20  226.694  6786.92  227.362  1580.14   26.550  1582.79   26.583 -2.646484 37.57049 
1 1 1    7    5    6 o  632.044   7.8749  1078.81   26.875  1053.24   37.141  1106.92   38.936  624.195   11.012  639.894   11.261 -15.69849 15.74976 
1 1 1    7    5    7 o  268.725   5.8702  195.139   8.5241   0.0000   0.0000  195.139   8.5241  ?   ?   268.725   5.8702      ?      ? 
1 1 1    7    5    8 o  1407.31   16.751  5358.51  127.382   0.0000   0.0000  5358.51  127.382  ?   ?   1407.31   16.751      ?      ? 
1 1 1    7    5   12 o  650.397   8.0577  1144.01   28.319  1143.51   40.086  1144.52   40.013  650.252   11.408  650.541   11.382 -0.2885742 16.11542 
1 1 1    7    5   13 o  771.025   9.4099  1608.86   39.205  1604.14   55.322  1613.63   55.567  769.888   13.298  772.162   13.318 -2.273193 18.81988 
1 1 1    7    5   14 o  401.343   5.4091  434.690   11.719  418.160   16.138  453.132   17.046  393.287   7.5936  409.399   7.7051 -16.11188 10.81811 
1 1 1    7    5   15 o  1079.89   12.963  3162.36   75.642  3175.17  107.438  3149.76  106.516  1082.05   18.375  1077.73   18.290 4.321045 25.92609 
1 1 1    7    5   16 o  496.969   6.3920  667.472   17.158  653.084   23.843  682.926   24.711  491.421   8.9788  502.517   9.1002 -11.09576 12.78403 
1 1 1    7    5   17 o  806.589   9.8365  1761.68   42.869  1747.02   60.129  1776.83   61.135  803.185   13.854  809.993   13.968 -6.807678 19.67307 
1 1 1    7    5   18 o  447.627   5.8844  541.644   14.230  532.816   19.866  550.945   20.393  443.885   8.2825  451.370   8.3609 -7.484467 11.76878 
1 1 1    7    5   19 o  525.207   6.7229  746.150   19.079  749.864   27.146  742.525   26.820  526.496   9.5416  523.918   9.4734 2.578125 13.44575 
1 1 1    7    5   20 o  435.196   5.7729  512.193   13.576  509.090   19.122  515.348   19.277  433.867   8.1560  436.525   8.1723 -2.657776 11.54587 
1 1 1    7    5   21 o  531.445   6.7853  764.095   19.486  764.797   27.604  763.398   27.509  531.687   9.6081  531.203   9.5836 0.4846802 13.57056 
1 1 1    7    5   22 o  604.888   7.5974  989.975   24.831  981.059   34.850  999.169   35.389  602.125   10.711  607.652   10.778 -5.526428 15.19487 
1 1 1    7    5   23 o  1203.98   14.446  3937.61   93.984  3926.93  132.597  3948.39  133.233  1202.35   20.409  1205.62   20.451 -3.268188 28.89212 
1 1 1    7    5   24 o  372.547   5.2436  374.827   10.548  385.103   15.285  365.484   14.574  377.414   7.4947  367.680   7.3355 9.734619 10.48720 
1 1 1    7    5   25 o  446.350   5.9514  538.671   14.354  540.031   20.375  537.331   20.225  446.908   8.4370  445.791   8.3961 1.116791 11.90280 
1 1 1    7    5   26 o  937.037   13.986  2367.42   66.119  2342.39   80.046  2421.17  117.306  929.930   15.929  944.143   22.993 -14.21368 27.97182 
1 1 1    7    5   27 o  202.634   5.5604  110.461   5.5597  109.688   6.6159  112.320   10.257  201.455   6.0775  203.812   9.3132 -2.356720 11.12077 
1 1 1    7    5   28 o  643.876   9.9806  1118.95   32.447  1130.18   57.322  1113.66   39.360  646.065   16.419  641.687   11.351 4.377563 19.96112 
1 1 1    7    5   29 o  366.501   7.2465  362.852   14.342  373.423   20.734  353.153   19.861  371.613   10.325  361.390   10.170 10.22223 14.49299 
1 1 1    7    5   30 o  358.197   7.1501  346.403   13.826  359.459   20.103  334.685   19.045  364.588   10.204  351.805   10.018 12.78278 14.30019 
1 1 1    7    5   31 o  1203.92   20.449  3944.79  133.028  3952.70  188.483  3936.94  187.780  1205.11   28.944  1202.72   28.893 2.390381 40.89709 
1 1 1    7    5   32 o  1031.11   12.449  2880.24   69.357  2860.36   97.406  2900.69   98.779  1027.51   17.543  1034.70   17.667 -7.197876 24.89757 
1 1 1    7    5   33 o  412.399   5.8096  459.811   12.947  460.204   18.344  459.421   18.274  412.574   8.2283  412.224   8.2038 0.3500671 11.61929 
1 1 1    7    5   34 o  726.939   11.053  1418.39   40.518  1468.69   72.169  1395.24   48.963  735.913   18.148  717.966   12.620 17.94763 22.10503 
1 1 1    7    5   35 o  841.216   10.321  1916.47   46.907  1895.99   65.597  1937.91   67.103  836.630   14.510  845.802   14.682 -9.171509 20.64210 
1 1 1    7    5   36 o  335.113   6.3772  301.298   10.984  296.044   13.523  311.487   18.832  330.902   7.5626  339.324   10.270 -8.421844 12.75433 
1 1 1    7    5   37 o  724.780   11.162  1424.95   41.126  1426.61   50.286  1421.62   71.469  725.832   12.821  723.728   18.275 2.104492 22.32374 
1 1 1    7    5   38 o  217.744   8.5735  128.362   10.083  123.311   14.191  133.514   14.330  213.411   12.306  222.078   11.941 -8.666916 17.14706 
1 1 1    7    5   39 o  502.685   9.7654  683.446   26.466  706.531   39.000  663.739   36.033  510.497   14.138  494.874   13.475 15.62369 19.53086 
1 1 1    7    5   40 o  596.677   7.7150  961.692   24.826  998.932   36.514  929.678   33.855  607.368   11.125  585.987   10.692 21.38184 15.43006 
1 1 1    7    5   41 o  241.597   5.2549  157.909   6.8528  157.686   9.9224  158.113   9.4756  241.427   7.6058  241.768   7.2530 -0.3412476 10.50972 
1 1 1    7    5   42 o  203.420   5.4335  111.897   5.9701  116.322   8.5638  107.712   8.3271  207.332   7.6439  199.508   7.7241 7.823837 10.86694 
1 1 1    7    5   43 o  261.812   5.2055  185.441   7.3615  187.165   10.582  183.824   10.248  262.986   7.4461  260.637   7.2763 2.348694 10.41102 
1 1 1    7    5   44 o  241.564   5.1911  157.192   6.7533  167.061   10.066  149.113   9.1072  248.416   7.4986  234.712   7.1806 13.70367 10.38223 
1 1 1    7    5   45 o  421.305   6.0518  480.899   13.775  473.100   19.271  489.047   19.698  417.816   8.5357  424.793   8.5812 -6.976227 12.10354 
1 1 1    7    5   46 o  160.077   6.0025   69.241   5.1835   74.234   7.5870   64.871   7.0985  165.471   8.4852  154.684   8.4925 10.78751 12.00502 
1 1 1    7    5   47 o  316.035   5.3091  270.762   9.0643  270.278   12.959  271.226   12.683  315.746   7.5955  316.324   7.4198 -0.5776367 10.61816 
1 1 1    7    5   48 o   51.473   12.273   6.4124   4.2123   9.7988   6.0372   3.2001   5.8800   59.207   17.588   43.739   17.123 15.46770 24.54618 
1 1 1    7    5   49 o  149.844   6.3007   60.944   5.0969   62.616   7.4035   59.437   7.0275  151.784   9.0265  147.903   8.7930 3.881119 12.60139 
1 1 1    7    5   50 o  250.830   5.2565  170.527   7.1175  177.298   10.355  164.463   9.7993  255.531   7.4991  246.129   7.3679 9.401794 10.51301 
1 1 1    7    5   51 o  239.814   5.2272  156.142   6.7722  160.239   9.6982  152.242   9.4610  242.884   7.3893  236.745   7.3955 6.139618 10.45445 
1 1 1    7    5   52 o   39.759   11.364   0.1692   4.1694  -5.1556   5.8749   5.5729   5.9182   31.007   14.432   48.511   17.558 -17.50472 22.72799 
1 1 1    7    5   53 o  209.294   5.3836  118.837   6.0776  128.253   8.8951  110.592   8.3233  217.049   7.5841  201.539   7.6427 15.50975 10.76711 
1 1 1    7    5   54 o  193.107   5.5994  101.671   5.8409   98.277   8.2322  105.112   8.2887  189.838   8.0250  196.377   7.8110 -6.538879 11.19877 
1 1 1    7    5   55 o  241.791   5.3108  159.480   6.9370  157.580   9.8866  161.322   9.7361  240.342   7.6125  243.240   7.4073 -2.898315 10.62161 
1 1 1    7    5   56 f  186.738   5.7231   95.104   5.7668  100.941   8.4266   89.962   7.9090  192.106   8.1175  181.371   8.0699 10.73486 11.44627 
1 1 1    7    5   57 o   62.488   12.189   10.929   4.4834   17.279   6.7420   5.8953   6.0032   76.362   16.795   48.613   17.670 27.74852 24.37856 
1 1 1    7    5   58 o  210.271   5.5542  120.947   6.2988  124.119   9.2430  118.196   8.6068  212.773   8.0391  207.770   7.6660 5.002930 11.10836 
1 1 1    7    5   59 o   75.012   11.988   13.621   5.2104   30.946   8.8955   4.5735   6.4286  103.695   15.875   46.329   17.968 57.36628 23.97635 
1 1 1    7    5   60 o   45.498   13.688   1.0223   6.0692  -3.1712   8.7556   4.9009   8.4205   40.702   18.448   50.294   20.227 -9.592262 27.37575 
1 1 1    7    5   61 o  195.943   7.9964  107.635   8.4642  106.126   11.800  109.234   12.148  194.584   11.223  197.303   11.394 -2.719528 15.99279 
1 1 1    7    5   62 o   76.791   12.446   18.034   5.1161   23.695   7.5256   13.171   6.9761   88.625   16.316   64.957   18.800 23.66753 24.89223 
1 1 1    7    5   63 o   50.932   13.627   6.7363   5.1860   5.0967   7.6005   8.1647   7.0939   48.407   19.303   53.458   19.241 -5.051697 27.25494 
1 1 1    7    5   64 o   42.681   12.837   1.1532   5.3458   5.5133   7.7421  -2.8196   7.3903   48.689   19.461   36.674   16.748 12.01561 25.67490 
1 1 1    7    5   65 o  102.172   14.468   30.612   7.9878   0.0000   0.0000   30.612   7.9878  ?   ?   102.172   14.468      ?      ? 
1 1 1    7    5   66 o   52.363   14.753   2.6101   8.2142 -21.5225   13.060   18.405   10.566   35.738   17.733   68.987   23.583 -33.24907 29.50593 
1 1 1    7    5   67 o   58.838   17.090   10.850   8.6242   11.874   13.354   10.117   11.296   60.419   25.022   57.256   23.284 3.162880 34.17931 
1 1 1    7    5   68 o  193.214   9.1198  107.079   8.4974  128.401   16.670   99.595   9.8769  201.042   15.345  185.385   9.8595 15.65709 18.23962 
1 1 1    7    6    0 o  831.967   10.118  1871.10   45.476  1897.35   65.214  1846.26   63.447  837.639   14.408  826.295   14.210 11.34381 20.23611 
1 1 1    7    6    1 o  941.063   11.361  2393.66   57.740  2347.82   80.051  2443.37   83.364  931.689   15.900  950.438   16.232 -18.74884 22.72218 
1 1 1    7    6    5 o  663.376   11.664  1189.78   41.810  1189.78   41.810   0.0000   0.0000  663.376   11.664  ?   ?       ?      ? 
1 1 1    7    6    7 o  636.582   7.9359  1095.23   27.298   0.0000   0.0000  1095.23   27.298  ?   ?   636.582   7.9359      ?      ? 
1 1 1    7    6    8 o  604.807   7.5926  988.604   24.814   0.0000   0.0000  988.604   24.814  ?   ?   604.807   7.5926      ?      ? 
1 1 1    7    6    9 o  869.855   12.184  2051.35   49.649  2040.54   98.984  2054.98   57.391  867.957   21.105  871.753   12.183 -3.795898 24.36883 
1 1 1    7    6   10 o  1023.87   12.321  2837.33   68.154  2871.10   97.643  2805.25   95.174  1029.80   17.547  1017.95   17.302 11.85028 24.64284 
1 1 1    7    6   11 o  769.364   9.4183  1601.65   39.155  1606.06   55.585  1597.30   55.164  770.414   13.352  768.313   13.287 2.100464 18.83666 
1 1 1    7    6   12 f  824.293   10.034  1839.48   44.692  1846.20   63.488  1832.89   62.923  825.780   14.228  822.807   14.152 2.973145 20.06770 
1 1 1    7    6   14 o  493.397   9.0379  658.333   24.097   0.0000   0.0000  658.333   24.097  ?   ?   493.397   9.0379      ?      ? 
1 1 1    7    6   15 o  280.354   6.1306  212.452   9.2875   0.0000   0.0000  212.452   9.2875  ?   ?   280.354   6.1306      ?      ? 
1 1 1    7    6   17 o  188.596   5.3121   96.134   5.4136   0.0000   0.0000   96.134   5.4136  ?   ?   188.596   5.3121      ?      ? 
1 1 1    7    6   18 o  186.654   3.8999   94.240   3.9305   91.186   5.6021   97.200   5.5160  183.671   5.6445  189.635   5.3829 -5.964005 7.799737 
1 1 1    7    6   19 o  652.338   8.1354  1150.76   28.657  1121.34   39.629  1183.01   41.489  643.618   11.395  661.057   11.615 -17.43829 16.27073 
1 1 1    7    6   20 o  756.526   9.2910  1548.42   37.950  1508.81   52.377  1592.18   55.061  746.377   12.987  766.675   13.291 -20.29779 18.58209 
1 1 1    7    6   21 o  675.501   8.3800  1234.74   30.581  1216.73   42.665  1253.77   43.855  670.445   11.777  680.557   11.925 -10.11249 16.75997 
1 1 1    7    6   22 o  441.665   5.8874  527.251   14.047  516.937   19.573  538.204   20.170  437.216   8.2847  446.114   8.3672 -8.898956 11.77479 
1 1 1    7    6   23 o  357.137   7.2176  344.825   13.929   0.0000   0.0000  344.825   13.929  ?   ?   357.137   7.2176      ?      ? 
1 1 1    7    6   24 o  546.925   6.9981  808.854   20.679  798.500   28.953  819.636   29.546  543.355   9.8609  550.495   9.9325 -7.140381 13.99612 
1 1 1    7    6   25 o  449.774   7.4750  548.663   17.115  551.609   20.976  542.793   29.606  451.672   8.5942  447.875   12.233 3.797028 14.95006 
1 1 1    7    6   26 o  686.673   10.524  1276.91   36.779  1277.53   45.012  1275.68   63.797  687.161   12.122  686.186   17.206 0.9754639 21.04721 
1 1 1    7    6   27 o  506.351   12.969  693.694   35.485   0.0000   0.0000  693.694   35.485  ?   ?   506.351   12.969      ?      ? 
1 1 1    7    6   28 o  503.161   12.917  684.910   35.122   0.0000   0.0000  684.910   35.122  ?   ?   503.161   12.917      ?      ? 
1 1 1    7    6   29 o  778.880   13.460  1643.84   56.645  1656.53   80.712  1631.53   79.517  781.832   19.105  775.927   18.965 5.904907 26.91942 
1 1 1    7    6   30 o  802.920   9.8582  1744.04   42.758  1717.73   59.554  1772.03   61.426  796.684   13.834  809.157   14.049 -12.47302 19.71631 
1 1 1    7    6   31 o  741.929   9.1952  1489.45   36.864  1482.62   52.012  1496.34   52.257  740.221   13.003  743.637   13.005 -3.416321 18.39037 
1 1 1    7    6   32 o  1092.33   13.159  3233.92   77.665  3214.05  109.155  3254.29  110.528  1088.94   18.550  1095.71   18.668 -6.772461 26.31716 
1 1 1    7    6   33 o  604.636   7.7262  988.711   25.237  1001.11   36.172  976.953   35.228  608.322   11.004  600.949   10.848 7.372620 15.45241 
1 1 1    7    6   34 o  541.454   7.1099  792.708   20.794  804.952   29.922  781.274   28.917  545.489   10.151  537.419   9.9576 8.070190 14.21984 
1 1 1    7    6   35 o  144.064   10.506   56.149   8.1788   56.149   8.1788   0.0000   0.0000  144.064   10.506  ?   ?       ?      ? 
1 1 1    7    6   36 o  401.876   7.0290  433.710   14.458  427.097   17.727  446.847   24.986  397.414   8.2547  406.337   11.379 -8.923584 14.05807 
1 1 1    7    6   37 o  421.553   8.6116  480.623   19.617  480.623   19.617   0.0000   0.0000  421.553   8.6116  ?   ?       ?      ? 
1 1 1    7    6   38 o  630.553   11.600  1078.38   39.518  1088.51   56.540  1068.69   55.257  633.432   16.518  627.674   16.292 5.758423 23.20077 
1 1 1    7    6   39 o  526.687   10.145  752.080   28.870  736.937   40.456  767.793   41.211  521.284   14.362  532.090   14.333 -10.80530 20.29053 
1 1 1    7    6   40 o  232.081   5.4335  145.809   6.8084  140.380   9.6913  151.100   9.5669  227.806   7.8728  236.357   7.4906 -8.551239 10.86692 
1 1 1    7    6   41 o  393.098   5.8563  417.989   12.436  408.929   17.326  427.615   17.860  388.710   8.2487  397.486   8.3152 -8.776306 11.71254 
1 1 1    7    6   42 o  650.341   8.2904  1146.96   29.133  1152.27   41.472  1141.80   40.933  651.815   11.774  648.867   11.674 2.947693 16.58090 
1 1 1    7    6   43 o  576.378   7.5069  900.629   23.379  890.991   32.852  910.518   33.278  573.256   10.606  579.500   10.627 -6.243835 15.01372 
1 1 1    7    6   44 o  271.800   5.2376  200.125   7.6850  189.522   10.851  210.794   10.885  264.559   7.5904  279.040   7.2191 -14.48160 10.47522 
1 1 1    7    6   45 o  494.267   6.7014  662.507   17.895  670.520   25.625  654.880   25.001  497.171   9.5381  491.364   9.4160 5.807343 13.40288 
1 1 1    7    6   46 o  473.477   6.5191  608.187   16.675  615.882   23.888  600.874   23.289  476.384   9.2796  470.570   9.1588 5.813232 13.03816 
1 1 1    7    6   47 o  161.798   6.0210   71.077   5.2624   69.497   7.4787   72.627   7.4061  160.004   8.6498  163.592   8.3780 -3.587585 12.04201 
1 1 1    7    6   48 o  163.682   5.8194   72.683   5.1390   73.150   7.4920   72.269   7.0623  164.158   8.4459  163.205   8.0080 0.9523621 11.63881 
1 1 1    7    6   49 o  256.432   5.2339  178.242   7.2484  170.988   10.072  186.036   10.440  251.022   7.4250  261.842   7.3786 -10.81972 10.46779 
1 1 1    7    6   50 o  172.585   5.7410   81.017   5.3506   79.079   7.6418   82.881   7.4941  170.537   8.2926  174.634   7.9415 -4.096893 11.48198 
1 1 1    7    6   51 o  205.065   5.4277  114.268   6.0137  112.687   8.4229  115.913   8.5887  203.621   7.6551  206.509   7.6967 -2.887878 10.85535 
1 1 1    7    6   52 o   60.195   11.940   9.7848   4.3182   15.809   6.3807   4.6943   5.8655   73.959   16.396   46.432   17.362 27.52738 23.88014 
1 1 1    7    6   53 o   82.623   10.208   19.167   4.4451   21.744   6.5031   16.906   6.0900   88.598   13.583   76.649   15.240 11.94927 20.41502 
1 1 1    7    6   54 o  184.570   5.6716   92.935   5.6562   91.747   8.0054   94.118   7.9928  183.380   8.0787  185.760   7.9627 -2.379547 11.34327 
1 1 1    7    6   55 o  176.396   5.8773   84.285   5.5687   98.290   8.3064   72.852   7.5050  189.630   8.1062  163.161   8.5123 26.46956 11.75458 
1 1 1    7    6   56 o  303.728   5.4138  252.125   8.8813  249.894   12.721  254.247   12.405  302.358   7.7858  305.097   7.5245 -2.738342 10.82758 
1 1 1    7    6   57 o   80.775   10.792   19.335   4.5315   14.717   6.6387   23.363   6.2008   70.139   17.557   91.411   12.553 -21.27203 21.58324 
1 1 1    7    6   58 o  143.786   7.7539   54.728   5.8203   68.243   9.9137   47.620   7.1898  156.401   11.730  131.171   10.144 25.22987 15.50774 
1 1 1    7    6   59 o  128.956   9.4248   47.219   6.5328   42.072   9.2704   52.297   9.2075  121.598   14.109  136.313   12.500 -14.71505 18.84966 
1 1 1    7    6   60 o  165.665   8.2612   77.044   7.3894   81.374   10.660   73.041   10.252  170.189   11.592  161.141   11.774 9.047180 16.52244 
1 1 1    7    6   61 o  221.368   5.7907  134.316   6.9066  148.138   10.206  122.638   9.3810  231.838   8.1467  210.899   8.2317 20.93892 11.58138 
1 1 1    7    6   62 o  119.506   8.4603   41.200   5.3530   33.442   7.7757   48.189   7.3802  107.937   13.332  131.075   10.420 -23.13801 16.92052 
1 1 1    7    6   63 o  135.247   7.9601   52.388   5.7644   45.920   8.3061   58.397   8.0063  126.584   12.143  143.910   10.296 -17.32619 15.92023 
1 1 1    7    6   64 o   42.777   12.877   1.8492   5.2783  -0.3541   7.7968   3.7134   7.1717   40.588   17.969   44.966   18.450 -4.378254 25.75425 
1 1 1    7    6   65 o   93.423   11.839   26.578   5.8382   29.697   8.5546   23.860   7.9876   99.570   15.899   87.277   17.545 12.29382 23.67747 
1 1 1    7    6   66 o   62.564   13.658   13.272   6.7958   24.783   8.6981  -4.7658   10.888   84.437   19.463   40.692   19.166 43.74453 27.31517 
1 1 1    7    6   67 o   72.476   17.975   21.284   8.7839   19.043   13.614   22.883   11.497   68.552   26.263   76.400   24.549 -7.848358 35.94994 
1 1 1    7    7    0 o  674.328   8.3747  1229.07   30.510  1212.68   42.610  1246.31   43.705  669.719   11.774  678.937   11.913 -9.217712 16.74947 
1 1 1    7    7    1 o  854.444   14.710  1974.70   67.916   0.0000   0.0000  1974.70   67.916  ?   ?   854.444   14.710      ?      ? 
1 1 1    7    7    3 o  804.488   9.8349  1749.94   42.745  1770.78   61.193  1730.08   59.735  809.160   13.995  799.817   13.821 9.343079 19.66973 
1 1 1    7    7    4 f  1059.76   18.026  3039.48  103.224   0.0000   0.0000  3039.48  103.224  ?   ?   1059.76   18.026      ?      ? 
1 1 1    7    7    6 o  1087.95   15.893  3233.19   89.381  3114.86  148.666  3300.17  111.855  1071.78   25.670  1104.13   18.748 -32.34949 31.78683 
1 1 1    7    7    7 o  851.116   14.623  1959.71   67.256   0.0000   0.0000  1959.71   67.256  ?   ?   851.116   14.623      ?      ? 
1 1 1    7    7    8 o  1192.17   14.261  3845.55   91.869   0.0000   0.0000  3845.55   91.869  ?   ?   1192.17   14.261      ?      ? 
1 1 1    7    7    9 o  618.392   8.9804  1031.52   25.795  1040.77   52.269  1028.54   29.658  620.001   15.602  616.784   8.8986 3.217590 17.96086 
1 1 1    7    7   10 o  494.532   6.4533  660.903   17.236  673.498   24.862  649.246   23.917  499.062   9.2191  490.002   9.0326 9.059540 12.90660 
1 1 1    7    7   11 o  1051.94   12.682  2999.96   72.088  2988.31  101.572  3011.77  102.328  1049.89   17.904  1053.99   17.967 -4.099976 25.36438 
1 1 1    7    7   12 o  228.900   4.1781  141.642   5.1667  138.395   7.3147  144.876   7.2991  226.279   5.9822  231.520   5.8343 -5.240616 8.356219 
1 1 1    7    7   13 o  811.455   9.9340  1782.70   43.553  1763.59   60.968  1802.60   62.237  807.026   13.981  815.885   14.117 -8.858459 19.86803 
1 1 1    7    7   15 o  440.275   5.8735  524.169   13.974  521.052   19.726  527.308   19.798  438.961   8.3160  441.589   8.2969 -2.628540 11.74710 
1 1 1    7    7   17 o  295.010   4.5593  235.290   7.2672  230.914   10.268  239.681   10.287  292.261   6.5019  297.760   6.3932 -5.499329 9.118516 
1 1 1    7    7   19 o  957.498   11.609  2486.50   60.063  2469.77   84.507  2503.58   85.385  954.250   16.389  960.745   16.447 -6.494568 23.21818 
1 1 1    7    7   20 o  701.634   8.6863  1332.74   32.933  1326.61   46.426  1338.95   46.723  700.010   12.273  703.257   12.295 -3.246704 17.37251 
1 1 1    7    7   21 o  465.286   6.1541  585.272   15.470  574.248   21.607  596.863   22.157  460.795   8.6778  469.778   8.7285 -8.983124 12.30811 
1 1 1    7    7   22 f  759.107   9.3335  1559.45   38.273  1533.36   53.297  1587.23   54.995  752.565   13.106  765.648   13.292 -13.08344 18.66698 
1 1 1    7    7   23 o  390.934   7.6917  413.180   16.249   0.0000   0.0000  413.180   16.249  ?   ?   390.934   7.6917      ?      ? 
1 1 1    7    7   24 o  567.460   14.321  871.847   43.912  871.847   43.912   0.0000   0.0000  567.460   14.321  ?   ?       ?      ? 
1 1 1    7    7   25 o  631.947   15.744  1081.53   53.764  1081.53   53.764   0.0000   0.0000  631.947   15.744  ?   ?       ?      ? 
1 1 1    7    7   26 o  502.968   12.870  684.459   34.980   0.0000   0.0000  684.459   34.980  ?   ?   502.968   12.870      ?      ? 
1 1 1    7    7   27 o  508.831   13.016  700.450   35.789   0.0000   0.0000  700.450   35.789  ?   ?   508.831   13.016      ?      ? 
1 1 1    7    7   28 o  489.078   6.4702  646.706   17.100  644.940   24.155  648.481   24.210  488.408   9.1524  489.747   9.1482 -1.338745 12.94046 
1 1 1    7    7   29 o  808.846   9.9318  1770.51   43.407  1757.84   60.995  1783.52   61.786  805.917   14.006  811.775   14.085 -5.857727 19.86370 
1 1 1    7    7   30 o  1178.65   14.164  3766.57   90.210  3748.75  127.053  3784.70  128.105  1175.84   19.996  1181.45   20.066 -5.610596 28.32826 
1 1 1    7    7   31 o  713.838   8.8896  1378.72   34.290  1376.51   48.435  1380.94   48.551  713.264   12.567  714.411   12.577 -1.146973 17.77911 
1 1 1    7    7   32 o  1176.00   14.145  3751.65   89.887  3741.00  126.804  3762.40  127.437  1174.33   19.983  1177.68   20.025 -3.343872 28.29006 
1 1 1    7    7   33 o  635.192   8.0680  1091.36   27.684  1107.21   39.749  1076.42   38.579  639.663   11.500  630.722   11.319 8.940918 16.13595 
1 1 1    7    7   34 o  382.071   5.6828  394.334   11.725  384.641   16.228  404.922   16.959  377.166   7.9622  386.976   8.1103 -9.810364 11.36550 
1 1 1    7    7   35 o  365.232   6.6662  356.919   12.455  372.748   21.615  349.052   15.239  371.168   10.777  359.296   7.8490 11.87173 13.33244 
1 1 1    7    7   36 o  682.458   10.439  1266.34   36.614  1248.42   62.044  1275.91   45.352  678.423   16.924  686.494   12.226 -8.071167 20.87828 
1 1 1    7    7   37 o  556.729   15.094  840.090   45.409  840.090   45.409   0.0000   0.0000  556.729   15.094  ?   ?       ?      ? 
1 1 1    7    7   38 o  600.409   11.247  976.942   36.459  1008.56   52.942  948.423   50.281  609.609   16.072  591.210   15.739 18.39929 22.49472 
1 1 1    7    7   39 f  219.811   8.9573  131.147   10.618  122.297   15.082  139.842   14.950  212.422   13.139  227.199   12.177 -14.77686 17.91469 
1 1 1    7    7   40 o  402.259   5.9473  437.751   12.925  430.870   18.075  444.953   18.490  399.026   8.3828  405.491   8.4388 -6.464417 11.89468 
1 1 1    7    7   41 o  154.998   6.3444   65.086   5.2872   56.799   7.3741   73.854   7.5848  144.822   9.4230  165.175   8.4979 -20.35312 12.68883 
1 1 1    7    7   42 o  106.933   8.1009   30.842   4.6681   33.819   6.8983   28.326   6.3403  111.669   11.432  102.197   11.481 9.472183 16.20190 
1 1 1    7    7   43 o  507.172   6.8416  697.068   18.746  704.268   26.861  690.232   26.173  509.711   9.7522  504.633   9.5983 5.078766 13.68328 
1 1 1    7    7   44 o  406.783   5.9369  448.373   13.048  449.065   18.625  447.707   18.285  407.081   8.4670  406.485   8.3246 0.5957947 11.87389 
1 1 1    7    7   45 o  217.407   5.3955  127.266   6.3176  114.854   8.5787  141.974   9.3383  205.890   7.7108  228.924   7.5490 -23.03398 10.79090 
1 1 1    7    7   46 o  245.478   5.2892  163.318   7.0156  160.792   9.8748  165.892   9.9690  243.559   7.5030  247.396   7.4571 -3.837326 10.57843 
1 1 1    7    7   47 o  227.639   5.2447  140.261   6.4435  130.952   8.9274  150.385   9.3097  219.757   7.5178  235.521   7.3150 -15.76433 10.48939 
1 1 1    7    7   48 o  321.020   5.4295  279.327   9.4132  287.634   13.593  271.672   13.048  325.594   7.7261  316.447   7.6306 9.146515 10.85905 
1 1 1    7    7   49 o  143.017   6.4312   55.456   4.9517   62.620   7.2218   49.100   6.8025  151.734   8.8079  134.300   9.3736 17.43378 12.86248 
1 1 1    7    7   50 o  283.571   5.2949  218.221   8.1095  226.350   11.682  210.660   11.266  288.663   7.4894  278.479   7.4868 10.18384 10.58979 
1 1 1    7    7   51 o  210.417   5.4700  119.916   6.2026  133.080   9.0642  108.325   8.5059  221.260   7.5812  199.573   7.8873 21.68698 10.94002 
1 1 1    7    7   52 o  182.865   5.7727   90.787   5.6932   96.835   8.3712   85.582   7.7658  188.500   8.2184  177.230   8.1088 11.27000 11.54534 
1 1 1    7    7   53 o  340.104   5.5854  315.226   10.262  317.491   14.714  313.081   14.320  341.263   7.9789  338.945   7.8183 2.318024 11.17086 
1 1 1    7    7   54 o  215.034   5.4897  126.042   6.3737  119.091   8.8967  133.371   9.1356  208.917   7.8808  221.152   7.6447 -12.23494 10.97942 
1 1 1    7    7   55 o  204.710   5.5157  114.324   6.0959  118.552   8.8547  110.515   8.4047  208.283   7.8674  201.138   7.7329 7.145477 11.03143 
1 1 1    7    7   56 o  142.820   6.6734   56.118   5.1500   56.194   7.3191   56.043   7.2478  142.905   9.4780  142.735   9.3970 0.1701660 13.34681 
1 1 1    7    7   57 o   74.174   12.580   15.597   5.8818   28.604   8.4525   3.3851   8.1899  100.196   15.612   48.153   19.732 52.04293 25.16061 
1 1 1    7    7   58 o  120.445   9.9178   40.874   6.4351   45.248   9.5132   37.185   8.7375  126.388   13.929  114.501   14.122 11.88654 19.83568 
1 1 1    7    7   59 o  194.010   7.6078  104.578   7.9610  112.342   11.679   97.838   10.881  200.707   10.768  187.313   10.750 13.39421 15.21558 
1 1 1    7    7   60 f  117.972   8.0815   38.967   5.1442   41.888   7.4840   36.351   7.0827  122.188   11.335  113.756   11.522 8.432037 16.16301 
1 1 1    7    7   61 o   95.779   10.489   26.571   5.1414   36.143   7.6904   18.835   6.9135  112.793   12.618   78.766   16.758 34.02695 20.97726 
1 1 1    7    7   62 o  154.806   6.9752   66.841   5.8259   69.406   8.5297   64.597   7.9763  157.502   10.022  152.110   9.7041 5.391922 13.95037 
1 1 1    7    7   63 o   47.460   13.199   5.0176   5.1726   1.0203   7.7067   8.2946   6.9778   41.969   18.241   52.952   19.080 -10.98280 26.39703 
1 1 1    7    7   64 o   59.902   19.847   11.310   7.4862   0.0000   0.0000   11.310   7.4862  ?   ?    59.902   19.847      ?      ? 
1 1 1    7    7   65 o  198.643   6.5125  110.727   6.9691  116.655   10.355  105.818   9.4222  203.290   9.4267  193.995   8.9882 9.294510 13.02503 
1 1 1    7    7   66 o   69.907   14.372   12.331   6.8506  -0.1477   8.5517   34.685   11.445   41.130   18.473   98.684   22.022 -57.55402 28.74381 
1 1 1    7    7   67 o   53.013   15.984   6.5191   8.7613  -4.2860   13.367   14.658   11.601   44.524   21.051   61.503   24.058 -16.97875 31.96739 
1 1 1    7    8    0 o  851.822   10.398  1962.79   47.858  1970.39   67.990  1955.32   67.377  853.454   14.743  850.189   14.666 3.264648 20.79508 
1 1 1    7    8    3 o  1017.18   12.272  2800.41   67.447  2779.70   94.632  2821.78   96.154  1013.36   17.282  1020.99   17.428 -7.625488 24.54397 
1 1 1    7    8    5 o  1082.01   18.420  3171.37  107.698   0.0000   0.0000  3171.37  107.698  ?   ?   1082.01   18.420      ?      ? 
1 1 1    7    8    6 o  382.166   6.4343  395.899   12.617  391.667   21.477  398.129   15.592  380.559   10.444  383.774   7.5185 -3.215118 12.86862 
1 1 1    7    8    7 o  310.209   4.8278  260.055   8.0926   0.0000   0.0000  260.055   8.0926  ?   ?   310.209   4.8278      ?      ? 
1 1 1    7    8    8 o  131.799   5.4344   46.948   3.8704   0.0000   0.0000   46.948   3.8704  ?   ?   131.799   5.4344      ?      ? 
1 1 1    7    8    9 o  206.089   5.2200  115.025   5.3442  114.302   9.6885  115.341   6.4071  205.599   8.7206  206.579   5.7397 -0.9800415 10.44002 
1 1 1    7    8   10 o  715.120   8.8446  1383.89   34.173  1396.10   48.798  1372.13   47.873  718.211   12.574  712.030   12.442 6.180237 17.68916 
1 1 1    7    8   11 o  738.440   9.1093  1475.99   36.347  1467.06   51.106  1485.12   51.704  736.186   12.847  740.694   12.918 -4.507813 18.21860 
1 1 1    7    8   14 o  629.696   7.9047  1073.01   26.897  1075.52   38.148  1070.52   37.928  630.427   11.198  628.964   11.160 1.463440 15.80942 
1 1 1    7    8   15 o  642.383   8.0791  1116.66   28.041  1103.51   39.298  1130.29   40.024  638.535   11.389  646.230   11.462 -7.695007 16.15813 
1 1 1    7    8   16 o  458.034   8.6279  567.432   21.355   0.0000   0.0000  567.432   21.355  ?   ?   458.034   8.6279      ?      ? 
1 1 1    7    8   18 o  361.806   5.1916  353.957   10.150  350.515   14.363  357.390   14.344  360.047   7.3823  363.564   7.3016 -3.517059 10.38323 
1 1 1    7    8   19 o  727.794   8.9923  1434.16   35.363  1437.50   50.207  1430.86   49.818  728.632   12.752  726.955   12.682 1.676636 17.98453 
1 1 1    7    8   21 o  578.001   9.0697  879.177   25.859  965.991   48.589  844.872   30.543  597.141   15.058  558.862   10.114 38.27917 18.13947 
1 1 1    7    8   22 o  190.553   5.5013   96.807   5.5999  106.937   8.7480   89.775   7.2890  198.876   8.1402  182.231   7.4022 16.64503 11.00254 
1 1 1    7    8   23 o  402.974   7.7030  436.680   16.693  464.865   25.128  414.414   22.334  414.529   11.218  391.418   10.559 23.11105 15.40591 
1 1 1    7    8   24 o  397.123   10.903  426.577   23.396  426.577   23.396   0.0000   0.0000  397.123   10.903  ?   ?       ?      ? 
1 1 1    7    8   25 o  649.420   9.8749  1147.99   33.194  1164.96   41.539  1118.02   55.213  656.256   11.714  642.584   15.901 13.67279 19.74970 
1 1 1    7    8   26 o  826.508   12.425  1858.88   52.553  1822.52   89.722  1877.87   64.840  820.002   20.249  833.015   14.405 -13.01276 24.84950 
1 1 1    7    8   27 o  393.949   5.6351  419.367   11.991  424.920   17.244  414.168   16.686  396.471   8.0490  391.427   7.8887 5.044250 11.27020 
1 1 1    7    8   28 o  735.778   9.1378  1464.46   36.326  1445.73   50.838  1484.00   51.923  730.975   12.871  740.580   12.975 -9.604919 18.27566 
1 1 1    7    8   29 o  561.054   10.263  851.276   31.115   0.0000   0.0000  851.276   31.115  ?   ?   561.054   10.263      ?      ? 
1 1 1    7    8   30 o  218.074   4.8034  128.346   5.6510  131.777   8.2747  125.347   7.7359  220.799   6.9353  215.349   6.6478 5.450150 9.606892 
1 1 1    7    8   31 o  902.575   11.010  2205.38   53.681  2171.07   74.821  2241.77   77.060  895.359   15.465  909.792   15.675 -14.43341 22.01935 
1 1 1    7    8   32 o  856.487   10.503  1986.86   48.607  1976.31   68.448  1997.59   69.037  854.198   14.829  858.776   14.877 -4.578613 21.00542 
1 1 1    7    8   33 o  639.780   8.1331  1107.69   28.117  1105.11   39.738  1110.28   39.790  639.033   11.508  640.526   11.496 -1.493591 16.26620 
1 1 1    7    8   34 o  377.393   5.7043  384.917   11.628  391.315   16.741  378.954   16.162  380.419   8.1439  374.368   7.9895 6.051422 11.40853 
1 1 1    7    8   35 o  675.879   8.5618  1236.14   31.259  1255.62   44.924  1217.86   43.522  681.027   12.207  670.731   12.008 10.29663 17.12355 
1 1 1    7    8   36 o  211.378   8.3635  116.477   9.1555  106.419   11.229  136.419   15.812  198.314   10.479  224.441   13.038 -26.12726 16.72696 
1 1 1    7    8   37 o  341.899   8.6853  315.123   16.007  345.496   23.531  288.964   21.838  357.167   12.192  326.631   12.373 30.53674 17.37068 
1 1 1    7    8   38 o  433.481   12.944  509.234   30.319  509.234   30.319   0.0000   0.0000  433.481   12.944  ?   ?       ?      ? 
1 1 1    7    8   39 o  294.933   7.0543  232.821   10.220  241.892   19.097  229.181   12.098  298.793   11.828  291.073   7.6915 7.719788 14.10869 
1 1 1    7    8   40 o  474.658   6.5582  609.394   16.809  592.648   23.249  627.735   24.332  467.842   9.1966  481.474   9.3521 -13.63205 13.11636 
1 1 1    7    8   41 o  591.698   7.6900  949.031   24.587  944.913   34.738  953.166   34.806  590.409   10.888  592.987   10.862 -2.577454 15.38005 
1 1 1    7    8   42 o  342.184   5.5531  316.856   10.264  321.427   14.744  312.556   14.298  344.572   7.9187  339.795   7.7873 4.777100 11.10615 
1 1 1    7    8   43 o  221.796   5.4247  133.157   6.4950  125.054   9.0832  141.635   9.2911  214.884   7.8225  228.707   7.5179 -13.82332 10.84948 
1 1 1    7    8   44 o  311.039   5.4039  261.513   9.0725  274.593   13.211  249.839   12.481  318.380   7.6791  303.698   7.6053 14.68222 10.80779 
1 1 1    7    8   45 o  422.711   6.1239  484.015   13.976  499.563   20.292  469.984   19.277  429.143   8.7505  416.278   8.5695 12.86490 12.24781 
1 1 1    7    8   46 o  495.169   6.7730  666.250   18.120  669.666   25.862  662.955   25.397  496.397   9.6414  493.941   9.5151 2.456055 13.54600 
1 1 1    7    8   47 o  124.740   7.2154   42.758   4.8078   36.109   6.9002   49.032   6.7027  115.142   11.090  134.338   9.2334 -19.19611 14.43086 
1 1 1    7    8   48 o  355.428   5.7057  342.085   10.941  360.550   16.038  326.013   14.963  364.356   8.1460  346.500   7.9912 17.85596 11.41131 
1 1 1    7    8   49 o  219.318   5.3813  129.757   6.3554  142.960   9.4621  118.904   8.5784  229.410   7.6329  209.226   7.5876 20.18362 10.76257 
1 1 1    7    8   50 o  383.152   5.8465  399.260   12.103  405.092   17.318  393.694   16.920  385.874   8.3056  380.430   8.2306 5.444031 11.69298 
1 1 1    7    8   51 o  189.962   5.6122   98.136   5.7573  100.201   8.3206   96.240   7.9744  191.862   8.0256  188.062   7.8471 3.800354 11.22440 
1 1 1    7    8   52 o  228.811   5.4014  142.668   6.6731  136.729   9.4645  148.539   9.4101  224.030   7.8182  233.592   7.4550 -9.562302 10.80284 
1 1 1    7    8   53 o  124.836   7.4952   42.507   4.9798   53.613   7.3728   33.190   6.7530  139.884   9.7539  109.787   11.383 30.09730 14.99036 
1 1 1    7    8   54 o   46.745   12.464   4.7097   4.3557   2.8488   6.3430   6.3703   5.9918   43.530   17.538   49.960   17.715 -6.430405 24.92758 
1 1 1    7    8   55 o  117.100   7.5968   37.922   4.7786   37.266   7.1187   38.460   6.4470  116.029   11.354  118.170   10.096 -2.141144 15.19364 
1 1 1    7    8   56 o  181.807   7.4716   91.486   7.3402   91.306   10.369   91.667   10.392  181.628   10.565  181.985   10.568 -0.3570404 14.94311 
1 1 1    7    8   57 o  297.165   7.3799  243.487   11.823  262.838   17.439  227.027   16.084  308.013   10.478  286.317   10.396 21.69559 14.75986 
1 1 1    7    8   58 o  183.905   6.9256   93.947   6.7890   95.426   8.9445   91.937   10.427  186.011   8.8988  181.799   10.614 4.212280 13.85121 
1 1 1    7    8   59 o  151.707   6.6979   63.797   5.4846   59.857   7.6857   67.884   7.8291  146.848   9.6857  156.567   9.2539 -9.718689 13.39578 
1 1 1    7    8   60 o  114.477   8.5384   37.188   5.2180   35.078   7.8705   38.843   6.9701  111.135   13.106  117.818   10.948 -6.682480 17.07685 
1 1 1    7    8   61 o  144.492   7.2296   58.488   5.6391   57.359   8.1063   59.546   7.8497  143.008   10.490  145.976   9.9514 -2.968658 14.45926 
1 1 1    7    8   62 o  163.813   9.8251   75.164   8.6971   75.164   8.6971   0.0000   0.0000  163.813   9.8251  ?   ?       ?      ? 
1 1 1    7    8   63 o   57.668   13.484   9.9424   5.3884   3.3510   7.8481   15.821   7.4114   45.521   19.044   69.814   19.095 -24.29342 26.96817 
1 1 1    7    8   64 o  129.591   8.7845   47.804   6.1238   53.467   9.1868   43.277   8.2152  136.411   12.463  122.772   12.383 13.63895 17.56908 
1 1 1    7    8   65 o  102.347   11.332   34.122   5.7814   22.609   8.2605   45.175   8.0943   81.146   19.148  123.547   12.124 -42.40174 22.66347 
1 1 1    7    8   66 o  159.945   9.3058   73.262   7.6796   67.046   9.3994   85.743   13.319  151.881   11.453  168.008   14.671 -16.12727 18.61165 
1 1 1    7    8   67 o  154.515   12.264   78.579   10.154   82.230   15.463   75.811   13.463  155.967   18.348  153.063   16.278 2.904266 24.52754 
1 1 1    7    9    3 o  303.232   4.8498  248.508   7.9442  250.307   11.395  246.805   11.081  304.298   6.9298  302.165   6.7866 2.132996 9.699500 
1 1 1    7    9    5 o  241.654   6.5919  157.851   8.6078   0.0000   0.0000  157.851   8.6078  ?   ?   241.654   6.5919      ?      ? 
1 1 1    7    9    6 o  241.407   4.8349  158.573   5.7068  155.090   10.590  159.998   6.7747  239.500   8.1826  243.314   5.1527 -3.813751 9.669835 
1 1 1    7    9    7 o  1103.59   18.774  3303.41  111.956   0.0000   0.0000  3303.41  111.956  ?   ?   1103.59   18.774      ?      ? 
1 1 1    7    9    8 o  505.536   6.6485  690.844   18.162   0.0000   0.0000  690.844   18.162  ?   ?   505.536   6.6485      ?      ? 
1 1 1    7    9    9 o  371.784   6.5301  372.597   12.247  377.252   21.688  370.418   14.839  373.418   10.748  370.150   7.4190 3.267792 13.06029 
1 1 1    7    9   10 o  753.184   11.330  1555.41   44.325  1470.05   72.537  1606.27   55.995  736.159   18.235  770.210   13.454 -34.05176 22.66092 
1 1 1    7    9   11 o  422.058   8.2707  481.692   18.863  481.692   18.863   0.0000   0.0000  422.058   8.2707  ?   ?       ?      ? 
1 1 1    7    9   12 o  277.151   6.5834  207.650   9.8596   0.0000   0.0000  207.650   9.8596  ?   ?   277.151   6.5834      ?      ? 
1 1 1    7    9   13 o  243.030   6.4594  159.668   8.4827  159.668   8.4827   0.0000   0.0000  243.030   6.4594  ?   ?       ?      ? 
1 1 1    7    9   15 o  703.296   8.7549  1339.14   33.268  1322.94   46.586  1356.00   47.522  698.961   12.334  707.630   12.428 -8.668823 17.50982 
1 1 1    7    9   16 o  372.460   7.5366  375.121   15.168   0.0000   0.0000  375.121   15.168  ?   ?   372.460   7.5366      ?      ? 
1 1 1    7    9   18 o  542.790   8.6380  778.791   23.264  844.820   43.144  751.722   27.624  558.433   14.297  527.147   9.6977 31.28625 17.27601 
1 1 1    7    9   19 o  295.427   6.5114  235.374   10.375  216.644   14.282  256.306   15.098  283.013   9.3389  307.840   9.0764 -24.82745 13.02290 
1 1 1    7    9   20 o  553.200   9.9603  828.616   29.773  818.919   41.892  838.513   42.322  549.929   14.097  556.471   14.075 -6.542358 19.92060 
1 1 1    7    9   21 o  911.191   15.639  2254.66   77.001  2243.69  108.539  2265.77  109.257  908.965   22.098  913.417   22.136 -4.452026 31.27790 
1 1 1    7    9   22 o  187.758   5.1133   95.096   5.1166   94.096   6.6868   96.509   7.9475  186.578   6.6323  188.939   7.7844 -2.361557 10.22665 
1 1 1    7    9   23 o  888.218   13.415  2107.50   59.383  2059.78   70.948  2219.14  108.516  872.219   15.053  904.216   22.209 -31.99725 26.83006 
1 1 1    7    9   24 o  514.586   6.7636  715.651   18.802  700.778   26.232  731.365   26.964  509.092   9.5357  520.081   9.5947 -10.98901 13.52726 
1 1 1    7    9   25 o  232.279   5.9459  132.696   6.4382  172.523   13.709  121.427   7.2924  252.594   10.044  211.963   6.3668 40.63159 11.89184 
1 1 1    7    9   26 o  794.582   9.7892  1708.06   42.024  1686.96   58.775  1730.13   60.110  789.568   13.776  799.595   13.912 -10.02686 19.57841 
1 1 1    7    9   27 o  285.066   4.9311  219.567   7.5926  210.591   10.634  228.900   10.844  279.124   7.0504  291.008   6.8960 -11.88361 9.862194 
1 1 1    7    9   28 o  295.325   5.0302  235.340   8.0189  244.549   11.674  227.113   11.034  300.784   7.1824  289.866   7.0445 10.91818 10.06038 
1 1 1    7    9   29 o  485.550   6.5314  637.430   17.136  631.757   24.129  643.203   24.341  483.370   9.2380  487.730   9.2357 -4.359344 13.06290 
1 1 1    7    9   30 o  130.906   7.9944   46.329   5.6550   0.0000   0.0000   46.329   5.6550  ?   ?   130.906   7.9944      ?      ? 
1 1 1    7    9   31 o  630.036   8.0450  1074.02   27.389  1067.96   38.685  1080.11   38.784  628.252   11.395  631.819   11.360 -3.567688 16.09006 
1 1 1    7    9   32 o  532.259   7.0477  766.346   20.270  761.234   28.621  771.491   28.711  530.477   9.9847  534.041   9.9490 -3.564331 14.09532 
1 1 1    7    9   33 o  357.488   7.9217  345.544   15.303   0.0000   0.0000  345.544   15.303  ?   ?   357.488   7.9217      ?      ? 
1 1 1    7    9   34 f  807.505   10.023  1764.63   43.704  1719.15   60.460  1814.40   63.249  796.640   14.045  818.371   14.303 -21.73145 20.04548 
1 1 1    7    9   35 o  161.090   9.1195   70.824   6.9135   71.407   8.0239   69.144   13.621  162.478   9.1390  159.702   15.784 2.776047 18.23902 
1 1 1    7    9   36 o  375.298   8.9048  381.362   18.056  391.441   25.756  371.622   25.318  380.177   12.537  370.419   12.649 9.757629 17.80953 
1 1 1    7    9   37 o  449.522   13.438  547.748   32.641   0.0000   0.0000  547.748   32.641  ?   ?   449.522   13.438      ?      ? 
1 1 1    7    9   38 o  450.479   9.1024  550.651   22.132  528.829   31.615  571.622   30.992  441.675   13.247  459.283   12.488 -17.60788 18.20470 
1 1 1    7    9   39 o  304.939   6.3525  251.775   10.154  251.897   12.884  251.577   16.497  305.110   7.8149  304.769   10.017 0.3408813 12.70506 
1 1 1    7    9   40 o  178.936   6.1629   86.693   5.9582   86.109   8.4742   87.264   8.3791  178.337   8.7937  179.535   8.6369 -1.197968 12.32577 
1 1 1    7    9   41 o  161.037   6.3473   70.427   5.4991   62.741   7.7669   78.154   7.7869  152.182   9.4449  169.893   8.4821 -17.71104 12.69459 
1 1 1    7    9   42 o  239.116   5.4587  154.769   7.0515  159.705   10.065  150.010   9.8820  242.863   7.6696  235.370   7.7697 7.493774 10.91750 
1 1 1    7    9   43 o   61.676   12.202   10.211   4.4991   15.926   6.5320   5.0520   6.2058   74.901   16.577   48.451   17.909 26.45039 24.40351 
1 1 1    7    9   44 o  164.479   6.0870   73.168   5.4017   79.015   7.8505   67.912   7.4440  170.710   8.5105  158.249   8.7052 12.46048 12.17406 
1 1 1    7    9   45 o  124.920   7.2946   42.831   4.8709   36.311   6.9805   49.019   6.8000  115.497   11.185  134.344   9.3671 -18.84684 14.58912 
1 1 1    7    9   46 o  163.269   6.0872   72.536   5.3567   67.503   7.6447   77.391   7.5082  157.658   8.9734  168.879   8.2276 -11.22110 12.17442 
1 1 1    7    9   47 o  228.281   5.4603  141.310   6.7330  145.198   9.6838  137.671   9.3679  231.316   7.7474  225.247   7.6965 6.069153 10.92055 
1 1 1    7    9   48 o  285.293   5.4350  221.035   8.3783  224.127   11.893  217.988   11.805  287.278   7.6615  283.307   7.7110 3.971313 10.87002 
1 1 1    7    9   49 o  156.296   6.3756   66.604   5.3673   60.069   7.5449   73.299   7.6369  148.471   9.4043  164.121   8.6112 -15.64984 12.75121 
1 1 1    7    9   50 o  237.570   5.4404  153.385   6.9823  150.004   9.7403  156.958   10.014  234.883   7.6742  240.258   7.7136 -5.375275 10.88082 
1 1 1    7    9   51 o  144.052   6.5879   56.818   5.1166   53.642   7.3340   59.831   7.1417  140.055   9.6906  148.049   8.9271 -7.993546 13.17578 
1 1 1    7    9   52 o   57.132   12.810   9.1639   4.4392   9.3720   6.2574   8.9531   6.2988   57.622   18.064   56.642   18.167 0.9798622 25.61942 
1 1 1    7    9   53 o  155.003   6.3134   65.900   5.2745   62.364   7.5899   69.202   7.3352  150.887   9.3089  159.119   8.5310 -8.231766 12.62673 
1 1 1    7    9   54 o   88.689   11.645   22.578   5.2011   23.018   8.8130   22.343   6.4426   87.897   19.101   89.481   13.324 -1.583923 23.28902 
1 1 1    7    9   55 o  129.745   9.2190   47.334   6.3986   44.797   9.5892   49.369   8.5910  126.239   14.057  133.250   11.931 -7.011200 18.43801 
1 1 1    7    9   56 o  152.522   8.3188   64.368   6.8290   69.662   10.230   60.113   9.1717  158.058   11.978  146.987   11.547 11.07153 16.63766 
1 1 1    7    9   57 o   76.431   11.437   18.197   4.8481   7.6565   7.0485   27.661   6.6789   53.568   19.190   99.295   12.448 -45.72680 22.87346 
1 1 1    7    9   58 o  126.082   7.6528   44.109   5.2005   47.978   7.6846   40.840   7.0637  131.150   10.843  121.015   10.802 10.13549 15.30567 
1 1 1    7    9   59 o   83.827   11.042   20.806   4.8658   18.709   7.0675   22.695   6.7090   78.555   17.132   89.099   13.935 -10.54420 22.08361 
1 1 1    7    9   60 o  198.143   6.1524  108.433   6.5699  111.009   9.6955  106.246   8.9336  200.174   8.9635  196.113   8.4301 4.061295 12.30486 
1 1 1    7    9   61 o   60.240   13.789   11.128   5.1002   11.773   7.6433   10.611   6.8476   61.610   20.036   58.869   18.948 2.740780 27.57719 
1 1 1    7    9   62 o   91.375   11.229   25.457   5.3763   23.553   7.8806   27.115   7.3533   86.698   17.426   96.053   14.167 -9.354805 22.45813 
1 1 1    7    9   63 o  180.292   7.0071   91.251   6.8178   94.574   9.9523   88.313   9.3588  183.279   10.049  177.305   9.7681 5.973404 14.01420 
1 1 1    7    9   64 o   59.049   14.331   11.167   5.5916   9.0000   8.2868   12.978   7.5762   55.131   20.632   62.968   19.896 -7.836948 28.66224 
1 1 1    7    9   65 o  108.705   10.157   36.329   5.9304   34.485   8.6921   37.935   8.1117  105.269   15.280  112.141   13.386 -6.872139 20.31451 
1 1 1    7    9   66 o  113.159   13.482   40.801   7.6635   35.836   9.3257   51.126   13.449  106.310   16.234  120.009   21.530 -13.69955 26.96428 
1 1 1    7   10    0 o  416.771   8.2804  469.660   18.648  469.660   18.648   0.0000   0.0000  416.771   8.2804  ?   ?       ?      ? 
1 1 1    7   10    1 o  833.514   10.222  1881.08   46.030  1901.18   65.838  1861.86   64.378  837.857   14.542  829.171   14.368 8.686279 20.44301 
1 1 1    7   10    4 o  436.589   6.0410  515.424   14.252  512.703   20.131  518.158   20.178  435.433   8.5558  437.744   8.5306 -2.311554 12.08192 
1 1 1    7   10    6 o  247.108   5.4037  165.037   7.2154   0.0000   0.0000  165.037   7.2154  ?   ?   247.108   5.4037      ?      ? 
1 1 1    7   10    7 o  190.466   4.7963   98.042   4.9365   0.0000   0.0000   98.042   4.9365  ?   ?   190.466   4.7963      ?      ? 
1 1 1    7   10    8 o  530.651   7.9612  761.408   22.828   0.0000   0.0000  761.408   22.828  ?   ?   530.651   7.9612      ?      ? 
1 1 1    7   10    9 o  409.880   6.5736  454.161   14.560   0.0000   0.0000  454.161   14.560  ?   ?   409.880   6.5736      ?      ? 
1 1 1    7   10   10 o  551.794   8.7216  827.701   24.584  813.739   42.159  834.894   30.261  548.072   14.235  555.517   10.081 -7.445557 17.44319 
1 1 1    7   10   11 o  307.288   4.9797  255.319   8.2679  252.086   11.717  258.526   11.668  305.348   7.1012  309.228   6.9829 -3.879333 9.959370 
1 1 1    7   10   12 o  1154.41   13.926  3618.15   86.820  3692.83  125.353  3549.29  120.362  1165.78   19.899  1143.03   19.487 22.74780 27.85151 
1 1 1    7   10   13 o  311.401   10.026  262.387   16.871  262.387   16.871   0.0000   0.0000  311.401   10.026  ?   ?       ?      ? 
1 1 1    7   10   14 o  198.292   6.4537  106.441   6.8700  105.653   10.302  107.072   9.2190  197.617   9.6476  198.967   8.5746 -1.350388 12.90737 
1 1 1    7   10   15 o  382.715   7.7100  396.092   15.938  381.982   22.224  411.036   22.871  375.700   10.947  389.731   10.860 -14.03125 15.41991 
1 1 1    7   10   16 o  723.554   12.679  1419.66   49.554  1392.34   68.931  1448.87   71.290  716.376   17.807  730.732   18.054 -14.35596 25.35815 
1 1 1    7   10   17 o  672.560   11.868  1226.43   43.131  1214.41   60.626  1238.74   61.374  669.228   16.765  675.891   16.804 -6.663269 23.73678 
1 1 1    7   10   18 o  823.006   14.259  1838.39   63.403  1815.99   88.775  1861.71   90.583  817.905   20.086  828.107   20.243 -10.20160 28.51728 
1 1 1    7   10   19 o  121.911   5.5845   40.085   3.6585   41.079   5.4996   39.295   4.8999  123.260   8.2569  120.561   7.5213 2.698875 11.16900 
1 1 1    7   10   20 o  834.614   10.236  1885.31   46.148  1855.34   64.314  1917.12   66.256  827.792   14.378  841.436   14.572 -13.64337 20.47107 
1 1 1    7   10   21 o  498.594   9.3350  672.236   25.151   0.0000   0.0000  672.236   25.151  ?   ?   498.594   9.3350      ?      ? 
1 1 1    7   10   22 o  183.729   6.3181   88.978   5.7855   85.561   6.8881   97.162   10.661  177.914   7.1647  189.544   10.409 -11.63054 12.63618 
1 1 1    7   10   23 o  719.584   18.062  1402.70   70.232   0.0000   0.0000  1402.70   70.232  ?   ?   719.584   18.062      ?      ? 
1 1 1    7   10   24 o  1072.67   15.844  3138.00   87.238  3065.31  147.830  3176.83  108.060  1062.42   25.750  1082.92   18.466 -20.49963 31.68726 
1 1 1    7   10   25 o  308.257   5.1174  256.790   8.5100  257.792   12.409  255.901   11.693  308.821   7.4358  307.693   7.0327 1.127533 10.23478 
1 1 1    7   10   26 o  493.705   9.3125  659.053   24.844   0.0000   0.0000  659.053   24.844  ?   ?   493.705   9.3125      ?      ? 
1 1 1    7   10   27 o  650.132   11.648  1143.35   40.922   0.0000   0.0000  1143.35   40.922  ?   ?   650.132   11.648      ?      ? 
1 1 1    7   10   28 o  1376.59   16.508  5137.68  122.658  4997.50  168.717  5294.82  178.635  1356.80   23.012  1396.38   23.674 -39.58362 33.01557 
1 1 1    7   10   29 o  1031.68   12.521  2884.43   69.800  2862.38   98.207  2906.94   99.226  1027.70   17.684  1035.66   17.731 -7.960083 25.04216 
1 1 1    7   10   30 o  898.121   10.992  2184.76   53.335  2158.11   74.606  2212.62   76.274  892.533   15.469  903.709   15.619 -11.17621 21.98305 
1 1 1    7   10   31 o  687.988   8.6853  1280.53   32.278  1256.48   44.939  1306.16   46.391  681.327   12.206  694.649   12.359 -13.32190 17.37053 
1 1 1    7   10   32 o  306.580   7.5139  254.119   12.448   0.0000   0.0000  254.119   12.448  ?   ?   306.580   7.5139      ?      ? 
1 1 1    7   10   33 o  318.777   7.6160  274.766   13.119   0.0000   0.0000  274.766   13.119  ?   ?   318.777   7.6160      ?      ? 
1 1 1    7   10   34 o  869.507   13.240  2053.26   58.671  2054.79   71.913  2050.23  101.466  870.684   15.285  868.330   21.625 2.353882 26.48098 
1 1 1    7   10   35 o  424.867   9.2424  488.438   21.207  473.423   29.397  504.730   30.623  418.071   13.013  431.664   13.128 -13.59210 18.48473 
1 1 1    7   10   36 o  320.135   8.6069  277.389   14.882  269.369   20.662  286.036   21.453  315.334   12.126  324.936   12.218 -9.602325 17.21387 
1 1 1    7   10   37 o  914.098   22.707  2279.28  112.159   0.0000   0.0000  2279.28  112.159  ?   ?   914.098   22.707      ?      ? 
1 1 1    7   10   38 o  443.717   7.7168  522.086   17.207  564.189   31.153  503.603   20.641  456.102   12.640  431.332   8.8557 24.77011 15.43370 
1 1 1    7   10   39 o  698.649   10.758  1321.80   38.334  1311.44   46.928  1342.57   66.458  695.251   12.491  702.048   17.518 -6.796326 21.51570 
1 1 1    7   10   40 o  267.743   6.2274  192.347   8.7982  186.213   11.205  202.207   14.207  262.288   7.9061  273.199   9.6238 -10.91168 12.45488 
1 1 1    7   10   41 o  376.953   5.8457  384.596   11.901  391.876   17.161  377.852   16.519  380.378   8.3493  373.527   8.1840 6.850311 11.69140 
1 1 1    7   10   42 f  261.457   5.4668  185.166   7.7228  184.197   10.982  186.115   10.862  260.775   7.7934  262.139   7.6684 -1.364319 10.93354 
1 1 1    7   10   43 o  360.416   5.7571  351.787   11.205  359.216   16.202  344.976   15.513  364.048   8.2362  356.785   8.0462 7.262878 11.51414 
1 1 1    7   10   44 o  119.183   7.7099   38.497   4.9489   40.253   7.3627   37.050   6.6841  121.631   11.202  116.734   10.596 4.896873 15.41987 
1 1 1    7   10   45 o  266.075   5.3650  191.945   7.7121  186.566   10.829  197.480   10.985  262.286   7.6409  269.863   7.5332 -7.577209 10.72998 
1 1 1    7   10   46 o  119.221   7.6657   38.929   4.9043   36.422   7.2267   41.069   6.6774  115.576   11.571  122.865   10.057 -7.288612 15.33133 
1 1 1    7   10   47 o   45.998   12.685   3.7099   4.5530   4.1166   6.4658   3.3099   6.4125   46.827   18.059   45.168   17.819 1.659050 25.37018 
1 1 1    7   10   48 o  286.543   5.4050  222.873   8.3654  230.545   12.038  215.709   11.633  291.307   7.6477  281.779   7.6399 9.527740 10.80996 
1 1 1    7   10   49 o  155.146   6.4954   65.606   5.4434   65.286   7.7936   65.912   7.6062  154.757   9.3196  155.536   9.0500 -0.7786865 12.99070 
1 1 1    7   10   50 o  185.467   5.8758   93.348   5.8638  106.225   8.5645   81.984   8.0453  197.512   8.0245  173.421   8.5852 24.09149 11.75152 
1 1 1    7   10   51 o  190.690   5.9601   99.196   6.1404   99.811   8.7775   98.607   8.5931  191.255   8.4932  190.126   8.3641 1.128220 11.92024 
1 1 1    7   10   52 f  300.179   5.5694  245.454   9.0206  250.635   13.173  240.880   12.378  303.098   8.0432  297.259   7.7059 5.839478 11.13883 
1 1 1    7   10   53 o  312.723   7.4465  269.124   12.572  276.351   18.261  262.613   17.333  316.627   10.673  308.818   10.387 7.808777 14.89298 
1 1 1    7   10   54 o  283.497   7.3244  221.101   11.188  228.378   16.567  215.000   15.169  287.606   10.660  279.389   10.048 8.217224 14.64876 
1 1 1    7   10   55 o  204.683   6.5682  114.388   7.1534  110.087   9.2630  120.743   11.260  200.244   8.5606  209.123   9.9640 -8.878784 13.13640 
1 1 1    7   10   56 o  183.045   6.0066   92.180   5.9154   81.702   8.2989  103.003   8.4341  172.303   8.9133  193.788   8.0543 -21.48541 12.01327 
1 1 1    7   10   57 o  195.077   5.9390  104.111   6.2356  118.017   9.1866   92.231   8.4912  207.166   8.2063  182.989   8.5873 24.17706 11.87797 
1 1 1    7   10   58 o   38.995   11.947  -0.3050   4.7570  -3.4368   7.0044   2.3761   6.4809   35.735   16.313   42.255   17.460 -6.519905 23.89496 
1 1 1    7   10   59 o  126.449   7.9679   45.060   5.4118   40.375   7.7554   49.507   7.5554  119.705   11.990  133.193   10.498 -13.48734 15.93584 
1 1 1    7   10   60 o  110.196   9.1753   34.613   5.4013   41.880   7.8831   28.182   7.4156  121.505   12.006   98.886   13.878 22.61903 18.35069 
1 1 1    7   10   61 f   36.645   11.750  -2.5632   5.0296  -1.6420   7.2938  -3.3985   6.9449   38.109   17.092   35.182   16.129 2.927155 23.50087 
1 1 1    7   10   62 o  204.374   6.3679  116.857   7.0313  118.820   10.058  114.981   9.8332  206.030   9.0344  202.719   8.9766 3.310349 12.73573 
1 1 1    7   10   63 o  123.007   9.4092   43.290   6.2146   50.142   9.3848   37.938   8.2936  131.639   13.193  114.374   13.419 17.26506 18.81844 
1 1 1    7   10   64 o  176.242   7.0216   88.733   6.6678   95.199   9.9004   83.366   9.0203  181.940   10.070  170.543   9.7881 11.39673 14.04327 
1 1 1    7   10   65 o   99.552   11.393   30.019   5.8944   38.839   9.2658   24.024   7.6395  112.617   15.226   86.487   16.953 26.12950 22.78653 
1 1 1    7   10   66 o   45.219   14.773  -0.8031   8.5262  -5.4032   11.838   4.1554   12.290   41.237   19.589   49.201   22.118 -7.964024 29.54517 
1 1 1    7   11    0 o  620.182   15.680  1042.34   52.547   0.0000   0.0000  1042.34   52.547  ?   ?   620.182   15.680      ?      ? 
1 1 1    7   11    1 o  763.300   18.849  1581.08   77.747   0.0000   0.0000  1581.08   77.747  ?   ?   763.300   18.849      ?      ? 
1 1 1    7   11    2 o  970.206   23.565  2560.81  123.546   0.0000   0.0000  2560.81  123.546  ?   ?   970.206   23.565      ?      ? 
1 1 1    7   11    3 o  794.573   19.534  1713.96   83.873   0.0000   0.0000  1713.96   83.873  ?   ?   794.573   19.534      ?      ? 
1 1 1    7   11    4 o  580.310   14.779  912.387   46.344   0.0000   0.0000  912.387   46.344  ?   ?   580.310   14.779      ?      ? 
1 1 1    7   11    5 o  652.212   9.9983  1156.84   33.501  1137.39   56.777  1167.22   41.494  647.725   16.221  656.699   11.693 -8.974060 19.99667 
1 1 1    7   11    6 o  476.804   9.0581  614.902   23.338   0.0000   0.0000  614.902   23.338  ?   ?   476.804   9.0581      ?      ? 
1 1 1    7   11   11 o  107.154   10.332   29.586   5.6074   44.887   9.1843   20.493   7.0802  128.731   13.203   85.577   15.896 43.15451 20.66419 
1 1 1    7   11   12 o  506.398   9.5184  694.609   26.046  690.766   36.905  698.423   36.763  504.997   13.524  507.800   13.398 -2.803314 19.03688 
1 1 1    7   11   13 o  634.459   11.368  1090.79   38.962  1069.59   54.291  1113.29   55.946  628.120   15.995  640.799   16.157 -12.67902 22.73553 
1 1 1    7   11   14 o  704.974   17.544  1348.20   66.835   0.0000   0.0000  1348.20   66.835  ?   ?   704.974   17.544      ?      ? 
1 1 1    7   11   16 o  163.316   5.1508   72.244   4.5370   68.601   6.5016   75.702   6.3344  159.291   7.5534  167.340   7.0051 -8.048950 10.30169 
1 1 1    7   11   18 o  242.217   6.6787  158.587   8.7415   0.0000   0.0000  158.587   8.7415  ?   ?   242.217   6.6787      ?      ? 
1 1 1    7   11   19 o   79.800   8.7188   17.653   3.5984   16.530   5.5528   18.466   4.7247   76.975   13.860   82.626   10.582 -5.650970 17.43753 
1 1 1    7   11   20 o  498.504   6.6571  671.741   17.929  659.101   25.076  684.962   25.646  493.709   9.3992  503.300   9.4297 -9.591278 13.31412 
1 1 1    7   11   21 f  734.928   11.303  1449.16   41.738  1426.92   50.285  1498.42   74.834  726.226   12.814  743.630   18.623 -17.40448 22.60573 
1 1 1    7   11   22 o  472.283   7.9394  605.310   19.159  609.665   23.578  596.847   32.869  474.869   9.1886  469.698   12.950 5.171112 15.87884 
1 1 1    7   11   23 o  491.578   13.435  653.829   35.688  653.829   35.688   0.0000   0.0000  491.578   13.435  ?   ?       ?      ? 
1 1 1    7   11   24 o  696.089   17.622  1312.61   66.285  1312.61   66.285   0.0000   0.0000  696.089   17.622  ?   ?       ?      ? 
1 1 1    7   11   25 o  250.642   5.1029  169.947   6.9026  160.050   9.7580  179.859   9.7655  243.329   7.4212  257.955   7.0059 -14.62576 10.20573 
1 1 1    7   11   26 o  1096.69   13.244  3257.09   78.436  3190.20  108.654  3329.88  113.346  1084.98   18.533  1108.41   18.924 -23.42615 26.48743 
1 1 1    7   11   27 o  173.044   7.4724   80.945   6.9872   0.0000   0.0000   80.945   6.9872  ?   ?   173.044   7.4724      ?      ? 
1 1 1    7   11   28 o  502.224   6.7852  681.558   18.406  662.550   25.579  701.968   26.506  494.970   9.5637  509.478   9.6278 -14.50809 13.57046 
1 1 1    7   11   29 o  551.636   7.2993  822.516   21.742  839.422   31.486  807.107   30.058  557.041   10.460  546.232   10.184 10.80963 14.59860 
1 1 1    7   11   30 o  319.160   5.4918  275.628   9.4638  268.087   13.531  282.851   13.242  314.878   7.9524  323.443   7.5762 -8.565796 10.98359 
1 1 1    7   11   31 o  596.730   7.7694  962.780   25.043  938.994   34.820  988.266   36.043  589.105   10.938  604.356   11.037 -15.25079 15.53878 
1 1 1    7   11   32 o  819.430   10.186  1819.20   45.102  1818.19   64.082  1820.19   63.490  819.195   14.476  819.666   14.334 -0.4716797 20.37256 
1 1 1    7   11   33 o  721.084   11.266  1406.62   41.175  1400.80   50.136  1418.69   72.166  719.225   12.900  722.942   18.473 -3.716980 22.53165 
1 1 1    7   11   34 o  577.857   11.069  905.305   34.556  896.171   48.323  914.865   49.434  574.888   15.556  580.827   15.751 -5.938721 22.13720 
1 1 1    7   11   35 o  435.758   9.4226  514.240   22.174  527.027   32.034  502.477   30.725  440.942   13.444  430.574   13.206 10.36771 18.84512 
1 1 1    7   11   36 o  546.097   9.1588  785.919   24.441  860.586   46.624  757.625   28.700  563.149   15.321  529.044   10.039 34.10461 18.31765 
1 1 1    7   11   37 o   81.461   11.651   20.303   5.1231   7.4027   7.6311   30.888   6.9125   56.179   19.984  106.743   11.984 -50.56370 23.30184 
1 1 1    7   11   38 f  376.925   7.0765  388.345   13.785  372.748   22.916  397.189   17.256  370.788   11.437  383.062   8.3366 -12.27429 14.15298 
1 1 1    7   11   39 o  159.527   6.8238   68.828   5.8517   70.049   8.7677   67.848   7.8579  160.780   10.092  158.274   9.1877 2.505630 13.64766 
1 1 1    7   11   40 o  364.981   6.8354  358.720   12.997  352.421   16.272  369.820   21.600  360.732   8.3480  369.230   10.826 -8.497955 13.67080 
1 1 1    7   11   41 o   64.828   10.768   9.4029   4.7701   23.566   7.0885  -2.3190   6.4487   93.017   14.103   36.640   16.276 56.37710 21.53582 
1 1 1    7   11   42 o  623.873   11.406  1057.89   38.453   0.0000   0.0000  1057.89   38.453  ?   ?   623.873   11.406      ?      ? 
1 1 1    7   11   43 o  160.892   6.4763   70.215   5.6275   71.492   8.1187   69.034   7.8074  162.291   9.2577  159.492   9.0589 2.798599 12.95256 
1 1 1    7   11   44 o   54.106   12.871   7.0119   4.6370   11.095   6.7573   3.3785   6.3747   62.876   18.591   45.336   17.804 17.53977 25.74124 
1 1 1    7   11   45 o  183.661   5.9306   91.556   5.8855   92.260   8.3737   90.869   8.2738  184.357   8.4056  182.966   8.3685 1.390717 11.86112 
1 1 1    7   11   46 o  410.638   6.1267  458.308   13.593  458.034   19.367  458.574   19.084  410.498   8.7309  410.777   8.5976 -0.2797241 12.25346 
1 1 1    7   11   47 o  142.517   6.9266   55.350   5.3210   55.574   7.8120   55.156   7.2674  142.742   10.128  142.291   9.4518 0.4510498 13.85320 
1 1 1    7   11   48 o  165.914   6.2395   74.595   5.5784   79.861   8.2751   70.208   7.5525  171.239   8.9430  160.590   8.7033 10.64894 12.47898 
1 1 1    7   11   49 f   77.086   11.949   17.202   4.8403   16.319   6.9102   18.053   6.7820   75.003   17.388   79.169   16.393 -4.166092 23.89734 
1 1 1    7   11   50 o  164.156   6.5276   72.930   5.7620   82.639   8.6428   65.163   7.7308  173.902   9.1973  154.410   9.2653 19.49197 13.05512 
1 1 1    7   11   51 o  229.253   7.3523  143.537   9.0698  151.644   13.590  137.027   12.179  234.954   10.704  223.551   10.082 11.40288 14.70458 
1 1 1    7   11   52 o  170.728   8.0037   79.039   7.2886   89.212   11.477   72.162   9.4357  179.608   11.825  161.848   10.789 17.75952 16.00730 
1 1 1    7   11   53 o   55.760   14.143   7.5567   5.7725   1.8475   8.7269   11.998   7.6969   47.444   19.978   64.076   20.026 -16.63261 28.28690 
1 1 1    7   11   54 o   68.430   12.857   13.890   4.8207   15.537   7.2146   12.563   6.4794   71.931   18.467   64.929   17.893 7.001846 25.71377 
1 1 1    7   11   55 o  159.977   6.6635   70.247   5.7482   75.351   8.4654   65.880   7.8300  165.330   9.4757  154.625   9.3711 10.70445 13.32692 
1 1 1    7   11   56 o  179.110   6.2296   88.255   6.0250   92.290   8.7147   84.561   8.3389  183.025   8.8116  175.195   8.8085 7.829681 12.45928 
1 1 1    7   11   57 o   74.445   11.877   16.978   4.8733   10.434   7.0780   22.875   6.7196   59.267   19.282   89.623   13.875 -30.35555 23.75500 
1 1 1    7   11   58 o   76.276   11.759   16.571   4.9649   27.468   7.6542   8.6568   6.5235   97.811   14.482   54.741   18.531 43.07043 23.51876 
1 1 1    7   11   59 o  191.761   6.2468  101.424   6.4523  107.468   9.6033   96.450   8.7114  196.839   9.0286  186.683   8.6357 10.15674 12.49368 
1 1 1    7   11   60 o   49.896   13.385   5.2812   5.2192   10.438   7.6730   0.8407   7.1202   58.760   20.097   41.032   17.683 17.72792 26.76912 
1 1 1    7   11   61 f  242.876   6.0581  164.154   7.9386  172.265   11.627  157.071   10.866  248.396   8.6620  237.355   8.4717 11.04079 12.11611 
1 1 1    7   11   62 o   92.427   12.255   26.404   5.9483   24.638   8.7832   27.900   8.0846   87.896   19.043   96.958   15.431 -9.062096 24.50996 
1 1 1    7   11   63 o  142.024   8.4411   57.787   6.4496   65.734   9.5528   51.130   8.7432  151.112   11.699  132.936   12.171 18.17610 16.88218 
1 1 1    7   11   64 o  179.112   7.3456   92.996   7.0714   86.552   10.273   98.797   9.7481  172.468   11.023  185.757   9.7115 -13.28841 14.69118 
1 1 1    7   11   65 o  185.691   7.2759   99.495   7.2704  102.580   10.844   96.976   9.7989  187.819   10.685  183.563   9.8788 4.256256 14.55189 
1 1 1    7   12    0 o  448.086   8.6035  543.096   20.819  529.505   28.842  557.883   30.083  442.245   12.069  453.926   12.265 -11.68112 17.20697 
1 1 1    7   12    1 o   77.628   10.691   16.887   4.3229   17.453   6.1718   16.342   6.0567   78.947   15.016   76.310   15.222 2.637230 21.38200 
1 1 1    7   12    2 f   71.917   10.974   14.621   4.1365   15.662   5.7062   13.468   6.0049   74.739   14.653   69.095   16.340 5.644295 21.94766 
1 1 1    7   12    3 f  670.709   11.893  1220.37   43.102  1217.79   60.842  1222.97   61.070  670.000   16.805  671.419   16.833 -1.419067 23.78540 
1 1 1    7   12    4 o  269.721   5.8475  200.158   8.3213  178.694   12.845  215.679   10.923  257.012   9.2491  282.431   7.1573 -25.41855 11.69501 
1 1 1    7   12    5 o  630.528   9.8068  1072.33   31.466  1091.67   54.850  1062.85   38.416  634.450   15.999  626.605   11.346 7.844116 19.61360 
1 1 1    7   12    6 o  145.780   7.9319   57.472   6.2483   0.0000   0.0000   57.472   6.2483  ?   ?   145.780   7.9319      ?      ? 
1 1 1    7   12    7 o  609.846   11.192  1006.67   36.881   0.0000   0.0000  1006.67   36.881  ?   ?   609.846   11.192      ?      ? 
1 1 1    7   12    8 o  654.177   8.3087  1157.36   29.371   0.0000   0.0000  1157.36   29.371  ?   ?   654.177   8.3087      ?      ? 
1 1 1    7   12    9 o  563.557   7.3678  858.724   22.437   0.0000   0.0000  858.724   22.437  ?   ?   563.557   7.3678      ?      ? 
1 1 1    7   12   10 o  301.056   6.0571  248.522   9.3550  234.009   15.720  256.481   11.641  294.108   9.8913  308.005   6.9941 -13.89761 12.11424 
1 1 1    7   12   11 o  238.770   9.3709  154.212   12.091  154.212   12.091   0.0000   0.0000  238.770   9.3709  ?   ?       ?      ? 
1 1 1    7   12   12 o  732.914   9.1594  1454.06   36.267  1471.97   51.951  1437.02   50.652  737.306   13.039  728.521   12.867 8.785156 18.31873 
1 1 1    7   12   14 o  411.954   8.3582  458.875   18.606   0.0000   0.0000  458.875   18.606  ?   ?   411.954   8.3582      ?      ? 
1 1 1    7   12   15 o  513.172   6.8468  711.765   18.976  725.247   27.384  699.312   26.319  517.839   9.7864  508.506   9.5783 9.332611 13.69369 
1 1 1    7   12   16 o  317.925   5.2392  273.239   8.9977  273.499   12.897  272.993   12.559  318.070   7.5037  317.781   7.3138 0.2892456 10.47838 
1 1 1    7   12   17 o  550.158   7.2223  818.205   21.465  801.495   29.922  835.921   30.810  544.377   10.172  555.940   10.256 -11.56366 14.44469 
1 1 1    7   12   19 o  578.525   7.5148  905.151   23.492  900.372   33.236  909.924   33.210  576.997   10.660  580.053   10.595 -3.055969 15.02962 
1 1 1    7   12   20 o  617.582   9.7765  1026.51   30.541  1016.47   37.063  1047.75   53.907  613.063   11.188  622.101   16.036 -9.037170 19.55299 
1 1 1    7   12   21 o  839.598   12.708  1908.08   54.297  1905.50   66.413  1913.29   94.292  839.097   14.647  840.099   20.771 -1.002441 25.41592 
1 1 1    7   12   22 o  635.307   9.9965  1089.20   32.098  1101.13   56.611  1083.55   38.967  637.677   16.429  632.937   11.393 4.739746 19.99301 
1 1 1    7   12   23 o  903.322   13.567  2218.06   62.551  2192.34  107.586  2231.20   76.880  898.875   22.150  907.770   15.673 -8.895142 27.13397 
1 1 1    7   12   24 f  594.379   7.6974  954.911   24.713  933.962   34.378  977.314   35.551  587.641   10.826  601.117   10.945 -13.47675 15.39475 
1 1 1    7   12   25 o  695.977   12.383  1310.52   46.569   0.0000   0.0000  1310.52   46.569  ?   ?   695.977   12.383      ?      ? 
1 1 1    7   12   26 o  961.486   16.574  2504.26   86.112   0.0000   0.0000  2504.26   86.112  ?   ?   961.486   16.574      ?      ? 
1 1 1    7   12   27 o  804.008   9.9668  1749.20   43.285  1714.77   60.193  1786.06   62.288  795.834   13.997  812.183   14.193 -16.34894 19.93356 
1 1 1    7   12   28 o  163.887   6.1571   71.569   5.3960   79.911   8.3985   65.705   7.0416  171.894   9.0418  155.880   8.3598 16.01405 12.31420 
1 1 1    7   12   29 o  435.357   8.7478  512.564   20.579   0.0000   0.0000  512.564   20.579  ?   ?   435.357   8.7478      ?      ? 
1 1 1    7   12   31 o  282.504   7.4981  215.491   10.474  214.803   12.495  217.117   19.208  281.834   8.2047  283.175   12.553 -1.341248 14.99611 
1 1 1    7   12   32 o  251.001   9.0806  170.580   12.315  167.297   17.314  173.941   17.520  248.555   12.891  253.447   12.792 -4.891968 18.16112 
1 1 1    7   12   33 o  339.724   8.7821  312.331   16.114  305.405   22.355  319.820   23.247  335.814   12.319  343.634   12.519 -7.820190 17.56425 
1 1 1    7   12   34 o  343.145   8.8480  317.117   16.357  290.540   22.169  348.874   24.233  327.459   12.528  358.832   12.498 -31.37271 17.69595 
1 1 1    7   12   35 o  818.480   12.568  1817.88   52.051  1828.83   91.443  1812.64   63.308  819.455   20.651  817.504   14.331 1.950500 25.13634 
1 1 1    7   12   36 o  428.147   6.3107  495.724   14.593  479.114   20.268  513.603   21.028  420.708   8.9156  435.586   8.9337 -14.87781 12.62134 
1 1 1    7   12   37 o  425.323   6.2834  489.612   14.438  477.850   20.210  501.872   20.634  420.106   8.9028  430.540   8.8693 -10.43347 12.56678 
1 1 1    7   12   38 o  341.654   5.7735  316.122   10.654  309.814   15.195  322.223   14.943  338.288   8.3123  345.021   8.0149 -6.732605 11.54697 
1 1 1    7   12   39 o  304.368   6.7196  252.683   10.520  245.721   17.730  256.465   13.069  300.964   10.902  307.772   7.8581 -6.808228 13.43915 
1 1 1    7   12   40 o   48.403   12.644   3.5878   4.8993  -3.1602   7.2482   9.2648   6.6481   38.148   17.079   58.659   18.648 -20.51123 25.28732 
1 1 1    7   12   41 o  352.618   6.7335  334.886   12.384  328.182   15.523  346.622   20.540  347.980   8.2556  357.257   10.640 -9.276398 13.46709 
1 1 1    7   12   42 o  238.344   5.6289  154.071   7.2463  150.501   10.321  157.542   10.176  235.605   8.1067  241.083   7.8115 -5.478394 11.25779 
1 1 1    7   12   43 o  123.616   7.8901   41.973   5.2001   39.085   7.8659   44.216   6.9307  119.715   12.159  127.518   10.058 -7.803207 15.78025 
1 1 1    7   12   44 o  291.670   5.5696  230.761   8.7716  231.346   12.660  230.221   12.164  292.003   8.0237  291.336   7.7269 0.6668091 11.13929 
1 1 1    7   12   45 o  257.661   5.6122  180.315   7.8099  177.583   11.172  182.927   10.922  255.728   8.0850  259.595   7.7858 -3.866776 11.22434 
1 1 1    7   12   46 o  102.489   9.4795   29.274   5.1620   23.936   7.4551   34.190   7.1545   93.198   14.803  111.779   11.845 -18.58128 18.95893 
1 1 1    7   12   47 o  260.224   5.5928  184.176   7.8592  176.729   11.124  191.597   11.105  254.935   8.0752  265.512   7.7400 -10.57645 11.18552 
1 1 1    7   12   48 o  297.302   5.5581  240.548   8.9247  232.660   12.654  248.355   12.589  292.412   8.0087  302.192   7.7091 -9.780304 11.11618 
1 1 1    7   12   49 o  137.282   8.5390   48.455   6.0553   64.167   10.654   40.958   7.3594  152.437   12.934  122.126   11.152 30.31075 17.07809 
1 1 1    7   12   50 f  336.195   7.6705  310.691   13.927  301.802   19.815  319.369   19.579  331.326   11.067  341.064   10.624 -9.737823 15.34101 
1 1 1    7   12   51 o  210.859   7.6008  119.987   8.5378  136.441   13.522  109.077   11.010  222.464   11.248  199.253   10.226 23.21005 15.20160 
1 1 1    7   12   52 o   66.423   13.392   12.975   5.0294   14.342   7.4780   11.846   6.7961   69.383   19.262   63.463   18.610 5.919964 26.78368 
1 1 1    7   12   53 o   52.730   13.431   7.0932   4.9489   5.1297   7.3545   8.7180   6.6902   49.570   19.220   55.890   18.767 -6.320148 26.86292 
1 1 1    7   12   54 o  178.071   6.3351   87.216   6.0735   87.102   8.9749   87.312   8.2495  177.827   9.3399  178.314   8.5615 -0.4870453 12.67019 
1 1 1    7   12   55 o  217.554   5.9388  129.847   6.9706  134.188   10.205  126.051   9.5440  220.889   8.5498  214.219   8.2449 6.670258 11.87758 
1 1 1    7   12   56 o   84.331   11.552   21.211   5.1108   18.249   7.5265   23.745   6.9621   77.355   18.293   91.306   14.111 -13.95086 23.10316 
1 1 1    7   12   57 o   91.323   11.120   23.554   5.2157   34.597   8.2040   16.063   6.7570  110.079   13.792   72.567   17.447 37.51176 22.23985 
1 1 1    7   12   58 o   38.298   12.015  -1.8693   4.9801   1.3899   7.4896  -4.4525   6.6677   43.009   18.326   33.588   15.544 9.421295 24.03050 
1 1 1    7   12   59 o   78.163   13.286   19.102   5.5101   19.756   8.3343   18.593   7.3441   78.926   19.625   77.401   17.914 1.525940 26.57129 
1 1 1    7   12   60 o   73.413   13.614   16.742   5.6762   24.843   8.5934   10.471   7.5602   88.669   18.532   58.158   19.948 30.51134 27.22772 
1 1 1    7   12   61 o   35.237   11.649  -5.5821   5.4998  -3.6982   8.0541  -7.2281   7.5283   37.525   17.265   32.950   15.643 4.575829 23.29750 
1 1 1    7   12   62 o   57.417   14.432   9.8647   5.8183   6.0609   8.4662   13.269   8.0096   50.828   20.338   64.007   20.482 -13.17881 28.86401 
1 1 1    7   12   63 o   60.984   12.936   9.9940   5.8730   24.990   8.7191  -2.4605   7.9459   84.901   19.426   37.067   17.089 47.83337 25.87262 
1 1 1    7   12   64 o   72.349   13.945   16.603   6.1436   29.621   9.5499   7.4107   8.0247   93.864   19.467   50.834   19.972 43.02967 27.88985 
1 1 1    7   12   65 o  176.325   10.147   98.110   8.9344  101.081   10.948   92.185   15.460  185.320   10.932  167.330   17.099 17.98978 20.29465 
1 1 1    7   13    2 f  450.811   6.3997  549.626   15.589  539.663   21.908  559.843   22.185  446.672   9.0768  454.950   9.0243 -8.277618 12.79947 
1 1 1    7   13    4 o  724.192   9.0910  1419.85   35.571  1404.93   49.818  1435.38   50.807  720.318   12.799  728.067   12.914 -7.748901 18.18205 
1 1 1    7   13    5 o  563.640   8.8753  865.138   25.751  843.468   43.364  876.943   32.006  557.972   14.382  569.307   10.404 -11.33453 17.75065 
1 1 1    7   13    6 o  739.409   9.2576  1478.82   36.989   0.0000   0.0000  1478.82   36.989  ?   ?   739.409   9.2576      ?      ? 
1 1 1    7   13    7 o  650.694   8.3147  1144.99   29.236   0.0000   0.0000  1144.99   29.236  ?   ?   650.694   8.3147      ?      ? 
1 1 1    7   13    8 o  686.963   8.6890  1276.28   32.255   0.0000   0.0000  1276.28   32.255  ?   ?   686.963   8.6890      ?      ? 
1 1 1    7   13    9 o  415.610   6.0987  466.906   13.697   0.0000   0.0000  466.906   13.697  ?   ?   415.610   6.0987      ?      ? 
1 1 1    7   13   10 o  131.658   6.4090   46.856   4.5596   0.0000   0.0000   46.856   4.5596  ?   ?   131.658   6.4090      ?      ? 
1 1 1    7   13   11 o  524.198   7.9559  753.656   19.901  721.622   38.194  765.595   23.317  516.271   13.691  532.125   8.1089 -15.85339 15.91189 
1 1 1    7   13   13 o  301.013   5.2964  244.105   8.5977  258.425   12.657  231.837   11.715  309.179   7.5762  292.846   7.4032 16.33249 10.59272 
1 1 1    7   13   14 o  778.888   9.7023  1641.59   40.823  1665.89   58.623  1618.71   56.881  784.471   13.829  773.305   13.612 11.16571 19.40466 
1 1 1    7   13   16 o  890.356   10.925  2145.87   52.550  2168.75   75.264  2124.11   73.404  894.971   15.563  885.740   15.336 9.230896 21.84974 
1 1 1    7   13   17 o  918.176   11.234  2282.50   55.740  2273.63   78.623  2291.46   79.033  916.384   15.878  919.968   15.898 -3.584106 22.46896 
1 1 1    7   13   18 o  281.922   5.3155  214.953   8.0912  205.116   11.445  224.783   11.440  275.467   7.6887  288.378   7.3417 -12.91016 10.63092 
1 1 1    7   13   19 o  607.778   11.111  999.007   36.491   0.0000   0.0000  999.007   36.491  ?   ?   607.778   11.111      ?      ? 
1 1 1    7   13   20 o  352.269   6.9508  342.365   12.728  363.422   16.236  308.784   20.503  366.653   8.1945  337.886   11.230 28.76675 13.90160 
1 1 1    7   13   21 o  724.048   11.212  1404.19   40.683  1460.36   73.401  1379.29   48.877  734.101   18.504  713.996   12.668 20.10468 22.42495 
1 1 1    7   13   22 o  297.161   6.5689  227.257   9.5385  265.766   18.454  213.218   11.142  313.469   10.895  280.854   7.3419 32.61478 13.13773 
1 1 1    7   13   23 o  391.245   5.9306  413.921   12.534  410.001   17.905  417.687   17.552  389.425   8.5089  393.066   8.2636 -3.640350 11.86120 
1 1 1    7   13   25 o  423.171   8.6611  484.196   19.805   0.0000   0.0000  484.196   19.805  ?   ?   423.171   8.6611      ?      ? 
1 1 1    7   13   26 o  295.672   5.5157  236.467   8.8035  223.394   12.413  249.697   12.488  287.441   7.9916  303.903   7.6043 -16.46170 11.03135 
1 1 1    7   13   27 o  538.888   7.2646  785.553   21.153  773.782   29.774  797.549   30.058  534.810   10.303  542.965   10.245 -8.154968 14.52928 
1 1 1    7   13   28 o  438.749   13.148  521.171   31.173   0.0000   0.0000  521.171   31.173  ?   ?   438.749   13.148      ?      ? 
1 1 1    7   13   29 o  453.095   9.4748  555.762   23.193  547.973   32.384  563.964   33.231  449.843   13.322  456.348   13.476 -6.504578 18.94955 
1 1 1    7   13   30 o  698.637   12.740  1324.47   48.090  1313.51   67.433  1335.81   68.600  695.711   17.937  701.563   18.095 -5.852722 25.47930 
1 1 1    7   13   31 o  505.809   10.163  693.061   27.771  686.487   38.755  700.000   39.815  503.356   14.249  508.261   14.497 -4.905029 20.32667 
1 1 1    7   13   32 o  720.020   13.077  1407.77   50.853  1381.98   70.599  1435.58   73.312  713.208   18.319  726.831   18.666 -13.62311 26.15344 
1 1 1    7   13   33 o  501.040   8.6119  679.904   21.727  680.631   38.492  679.564   26.321  500.992   14.218  501.088   9.7209 -0.9567261E-01 17.22374 
1 1 1    7   13   34 o  488.751   6.8574  645.613   18.097  618.836   25.027  674.958   26.200  478.147   9.6862  499.356   9.7095 -21.20859 13.71479 
1 1 1    7   13   35 o  375.052   8.3131  380.698   16.848   0.0000   0.0000  380.698   16.848  ?   ?   375.052   8.3131      ?      ? 
1 1 1    7   13   36 o  252.931   7.7803  173.128   10.634   0.0000   0.0000  173.128   10.634  ?   ?   252.931   7.7803      ?      ? 
1 1 1    7   13   37 o  261.277   5.7470  185.038   8.0950  180.932   11.782  188.710   11.141  258.508   8.4346  264.045   7.8083 -5.537140 11.49397 
1 1 1    7   13   38 f  126.594   8.0989   43.072   5.4713   46.105   8.5468   40.966   7.1218  130.297   12.139  122.891   10.725 7.406387 16.19785 
1 1 1    7   13   39 o  309.586   6.7638  259.313   10.634  261.712   18.570  258.142   12.971  310.453   11.070  308.719   7.7752 1.733887 13.52750 
1 1 1    7   13   40 o  270.431   6.7565  200.210   9.2874  193.063   16.000  203.841   11.405  266.560   11.108  274.302   7.6948 -7.741333 13.51293 
1 1 1    7   13   41 o  259.757   6.3568  184.130   8.8507  192.913   11.964  173.514   13.154  266.720   8.3010  252.794   9.6296 13.92589 12.71364 
1 1 1    7   13   42 o  191.918   6.7590   99.295   6.9692   93.098   9.2721  107.342   10.566  185.123   9.2689  198.714   9.8399 -13.59059 13.51803 
1 1 1    7   13   43 o  373.761   8.3758  379.169   16.916   0.0000   0.0000  379.169   16.916  ?   ?   373.761   8.3758      ?      ? 
1 1 1    7   13   44 o  534.989   7.2840  779.498   21.054  784.029   30.063  775.138   29.495  536.486   10.370  533.493   10.231 2.992920 14.56795 
1 1 1    7   13   45 o  533.173   7.2781  775.053   20.963  759.200   29.252  791.792   30.058  527.586   10.261  538.760   10.325 -11.17383 14.55610 
1 1 1    7   13   46 o  292.064   5.6783  232.088   8.9543  222.611   12.709  241.431   12.618  286.095   8.2208  298.033   7.8351 -11.93857 11.35651 
1 1 1    7   13   47 o  484.810   8.3067  652.747   20.915  613.288   34.130  676.478   26.468  471.858   13.386  497.763   9.8402 -25.90491 16.61333 
1 1 1    7   13   48 o  368.558   8.1179  373.579   16.149  365.540   23.242  381.081   22.454  364.548   11.799  372.568   11.153 -8.020050 16.23573 
1 1 1    7   13   49 o  308.895   7.6115  261.378   12.670  235.360   17.492  290.090   18.376  292.625   11.062  325.165   10.458 -32.54016 15.22301 
1 1 1    7   13   50 o  250.830   6.4975  171.812   8.7063  169.424   11.445  175.090   13.413  249.002   8.5061  252.658   9.8242 -3.655121 12.99492 
1 1 1    7   13   51 o  165.926   6.6866   75.499   5.9853   77.299   8.7603   73.923   8.1968  167.719   9.6660  164.134   9.2418 3.585403 13.37322 
1 1 1    7   13   52 o  132.664   7.7584   47.726   5.5042   55.935   8.5602   41.940   7.1868  142.150   11.144  123.179   10.797 18.97024 15.51686 
1 1 1    7   13   53 o  241.971   5.7312  159.634   7.4497  168.230   11.270  152.962   9.9282  247.585   8.4237  236.356   7.7735 11.22981 11.46236 
1 1 1    7   13   54 o  128.555   8.0584   45.601   5.5591   49.622   8.4873   42.581   7.3567  133.339   11.780  123.771   11.000 9.567940 16.11674 
1 1 1    7   13   55 o  177.358   6.5381   86.609   6.2378   90.111   9.3435   83.793   8.3784  180.435   9.5830  174.281   8.8966 6.153839 13.07610 
1 1 1    7   13   56 o  179.257   6.5774   89.024   6.3413   89.068   9.4303   88.988   8.5675  179.080   9.7452  179.433   8.8362 -0.3533478 13.15473 
1 1 1    7   13   57 o  194.224   6.4317  103.609   6.7177  118.807   9.9726   90.984   9.0892  207.258   8.9045  181.191   9.2832 26.06732 12.86346 
1 1 1    7   13   58 o   89.236   11.559   23.325   5.3790   31.478   8.1887   17.137   7.1340  104.192   14.544   74.279   17.969 29.91272 23.11770 
1 1 1    7   13   59 o   53.759   14.167   7.9866   5.4998   7.1273   8.4678   8.6135   7.2330   53.030   20.606   54.487   19.448 -1.457191 28.33425 
1 1 1    7   13   60 o  123.564   9.1576   43.917   6.0834   50.281   9.0914   38.759   8.1860  131.709   12.774  115.420   13.125 16.28934 18.31516 
1 1 1    7   13   62 o  161.369   7.9359   76.053   6.8632   69.208   10.015   82.114   9.4239  153.610   12.066  169.128   10.312 -15.51767 15.87175 
1 1 1    7   13   63 o   61.160   14.710   12.969   5.9140   10.379   8.7880   15.114   7.9953   56.406   21.220   65.915   20.379 -9.508282 29.42086 
1 1 1    7   13   64 f  149.666   8.3317   66.593   6.7073   66.160   9.9298   66.956   9.0961  148.521   12.373  150.811   11.162 -2.289886 16.66339 
1 1 1    7   14    0 o  515.826   10.082  720.721   28.096  720.721   40.157  720.721   39.322  515.812   14.407  515.840   14.107 -0.2752686E-01 20.16378 
1 1 1    7   14    1 o  843.661   14.883  1933.53   67.848  1919.82   95.482  1947.52   96.428  840.646   21.019  846.677   21.077 -6.030884 29.76630 
1 1 1    7   14    2 f  261.054   8.1191  183.890   11.428  192.117   16.856  176.892   15.546  266.434   11.708  255.675   11.252 10.75891 16.23815 
1 1 1    7   14    3 o  302.138   12.000  247.072   19.592  247.072   19.592   0.0000   0.0000  302.138   12.000  ?   ?       ?      ? 
1 1 1    7   14    4 o  263.986   5.5981  196.860   7.3514  165.653   12.681  212.655   9.0220  247.481   9.4828  280.491   5.9524 -33.00978 11.19617 
1 1 1    7   14    5 o  224.224   6.8236  135.910   8.2677   0.0000   0.0000  135.910   8.2677  ?   ?   224.224   6.8236      ?      ? 
1 1 1    7   14    6 o  695.577   12.332  1309.41   46.350   0.0000   0.0000  1309.41   46.350  ?   ?   695.577   12.332      ?      ? 
1 1 1    7   14    7 o  337.134   5.5862  307.191   10.177   0.0000   0.0000  307.191   10.177  ?   ?   337.134   5.5862      ?      ? 
1 1 1    7   14    8 o  676.233   8.6076  1236.48   31.453   0.0000   0.0000  1236.48   31.453  ?   ?   676.233   8.6076      ?      ? 
1 1 1    7   14    9 o  322.553   7.3108  281.254   12.742   0.0000   0.0000  281.254   12.742  ?   ?   322.553   7.3108      ?      ? 
1 1 1    7   14   10 o  556.453   7.4137  837.064   22.292   0.0000   0.0000  837.064   22.292  ?   ?   556.453   7.4137      ?      ? 
1 1 1    7   14   11 o  289.594   6.1712  228.027   9.0835  222.995   15.715  230.552   11.131  287.144   10.128  292.044   7.0537 -4.900513 12.34230 
1 1 1    7   14   12 o  261.185   9.8961  184.482   13.967  184.482   13.967   0.0000   0.0000  261.185   9.8961  ?   ?       ?      ? 
1 1 1    7   14   13 o  773.236   9.6592  1617.84   40.354  1632.00   57.635  1604.22   56.519  776.548   13.735  769.925   13.585 6.623596 19.31842 
1 1 1    7   14   15 o  758.190   9.4905  1555.35   38.882  1549.76   54.880  1560.98   55.096  756.824   13.419  759.556   13.424 -2.732544 18.98101 
1 1 1    7   14   17 o  905.326   11.135  2218.83   54.473  2208.52   76.863  2229.24   77.212  903.213   15.749  907.441   15.746 -4.228088 22.27017 
1 1 1    7   14   18 o  877.045   10.808  2082.40   51.222  2080.66   72.533  2084.12   72.346  876.677   15.311  877.413   15.259 -0.7354126 21.61627 
1 1 1    7   14   19 o  519.812   8.7130  716.625   22.617  694.513   27.013  768.468   41.362  506.789   9.8640  532.836   14.366 -26.04736 17.42606 
1 1 1    7   14   20 o  773.155   13.664  1617.72   57.088   0.0000   0.0000  1617.72   57.088  ?   ?   773.155   13.664      ?      ? 
1 1 1    7   14   21 o  630.553   16.388  1076.80   55.838  1076.80   55.838   0.0000   0.0000  630.553   16.388  ?   ?       ?      ? 
1 1 1    7   14   22 o  750.663   13.283  1524.94   53.879   0.0000   0.0000  1524.94   53.879  ?   ?   750.663   13.283      ?      ? 
1 1 1    7   14   23 o  461.126   6.5891  574.073   16.405  550.215   22.659  600.354   23.782  451.075   9.2961  471.178   9.3406 -20.10251 13.17816 
1 1 1    7   14   24 o  513.469   14.283  713.964   39.629   0.0000   0.0000  713.964   39.629  ?   ?   513.469   14.283      ?      ? 
1 1 1    7   14   25 o  563.655   15.255  860.811   46.463   0.0000   0.0000  860.811   46.463  ?   ?   563.655   15.255      ?      ? 
1 1 1    7   14   26 o  449.460   9.4010  546.926   22.825  545.721   31.855  548.198   32.722  448.962   13.130  449.957   13.458 -0.9945984 18.80207 
1 1 1    7   14   27 o  378.229   8.8648  386.286   18.080  373.198   24.631  401.577   26.623  371.315   12.276  385.144   12.792 -13.82867 17.72953 
1 1 1    7   14   28 o  553.248   10.746  828.420   32.090  806.306   44.165  853.153   46.708  545.461   14.984  561.034   15.407 -15.57355 21.49147 
1 1 1    7   14   29 o  499.375   10.120  671.989   27.216  633.108   36.683  719.594   40.590  483.421   14.043  515.330   14.576 -31.90887 20.24030 
1 1 1    7   14   30 o   36.575   17.971 -25.3829   12.311 -25.3829   12.311   0.0000   0.0000   36.575   17.971  ?   ?       ?      ? 
1 1 1    7   14   31 o   91.006   12.113   23.834   5.6676   18.264   8.6599   28.008   7.4960   80.365   20.017  101.647   13.647 -21.28170 24.22622 
1 1 1    7   14   32 o  566.939   10.628  870.202   32.561   0.0000   0.0000  870.202   32.561  ?   ?   566.939   10.628      ?      ? 
1 1 1    7   14   33 o  646.516   8.3693  1131.13   29.215  1094.74   40.346  1171.24   42.361  635.614   11.747  657.419   11.924 -21.80511 16.73851 
1 1 1    7   14   34 o  109.615   9.4514   32.248   5.5120   34.630   8.7098   30.657   7.1190  112.919   14.274  106.312   12.392 6.606689 18.90288 
1 1 1    7   14   35 o  414.667   6.2858  465.710   14.081  458.339   20.049  472.884   19.780  411.415   9.0184  417.919   8.7588 -6.503479 12.57169 
1 1 1    7   14   36 o  459.309   6.6257  571.180   16.440  554.332   22.947  588.947   23.564  452.351   9.3877  466.266   9.3526 -13.91440 13.25140 
1 1 1    7   14   37 o  237.785   5.8886  153.656   7.5412  143.067   10.844  163.573   10.494  229.796   8.7329  245.775   7.9018 -15.97829 11.77724 
1 1 1    7   14   38 o  341.811   5.8805  316.242   10.844  322.225   15.854  310.983   14.865  344.822   8.5086  338.799   8.1195 6.023102 11.76105 
1 1 1    7   14   39 o  174.184   6.5827   80.507   6.1137   93.597   9.6539   71.742   7.8998  185.722   9.6195  162.645   8.9885 23.07768 13.16540 
1 1 1    7   14   40 o  108.856   11.996   36.729   5.9185   25.203   10.656   41.871   7.1172   93.606   21.517  124.106   10.613 -30.49955 23.99203 
1 1 1    7   14   41 o  156.865   8.8372   68.133   6.7082   64.887   12.553   69.430   7.9363  153.856   15.099  159.874   9.1866 -6.017502 17.67445 
1 1 1    7   14   42 o  219.545   6.6143  129.625   7.7919  120.173   10.303  142.252   11.909  210.331   9.0652  228.759   9.6342 -18.42766 13.22866 
1 1 1    7   14   43 o  134.840   7.7350   48.691   5.5853   57.566   8.5886   42.186   7.3522  145.298   10.939  124.383   10.939 20.91499 15.46992 
1 1 1    7   14   44 o  361.372   5.9546  354.946   11.618  358.612   16.823  351.604   16.062  363.112   8.5739  359.631   8.2655 3.481171 11.90922 
1 1 1    7   14   45 o  150.579   8.7398   62.770   6.6168   60.518   11.622   63.850   8.0486  148.139   14.519  153.018   9.7339 -4.879745 17.47958 
1 1 1    7   14   46 o   90.984   13.663   23.360   6.2648   26.599   10.693   21.667   7.7306   95.178   21.321   86.791   17.092 8.387138 27.32573 
1 1 1    7   14   47 f  389.094   8.3952  415.759   17.623  384.234   24.424  450.000   25.454  373.600   12.098  404.588   11.643 -30.98746 16.79041 
1 1 1    7   14   48 o  162.826   7.5743   72.627   6.6511   70.371   9.0727   75.248   9.7792  160.153   10.484  165.498   10.935 -5.345352 15.14868 
1 1 1    7   14   49 o  153.284   7.2013   64.313   5.9300   66.239   8.9336   62.796   7.9287  155.215   10.651  151.352   9.6945 3.862534 14.40256 
1 1 1    7   14   50 o  373.604   6.1035  382.373   12.316  373.559   17.535  390.956   17.303  369.262   8.7878  377.946   8.4726 -8.684479 12.20693 
1 1 1    7   14   51 o  182.908   6.4353   92.678   6.3006   82.101   9.1756  102.115   8.6669  172.701   9.8323  193.116   8.3053 -20.41464 12.87060 
1 1 1    7   14   52 f   76.423   12.707   16.941   5.1920   23.231   7.9899   12.344   6.8308   88.555   17.318   64.291   18.602 24.26385 25.41492 
1 1 1    7   14   53 o  197.380   6.1938  107.359   6.5745  104.769   9.7168  109.545   8.9286  194.993   9.2218  199.768   8.2712 -4.775650 12.38769 
1 1 1    7   14   54 o  141.700   7.5066   55.652   5.7312   58.435   8.5024   53.335   7.7588  144.839   10.864  138.562   10.362 6.276825 15.01321 
1 1 1    7   14   55 o  250.758   5.9008  172.623   7.9693  181.585   11.862  165.249   10.759  256.540   8.5566  244.977   8.1278 11.56310 11.80153 
1 1 1    7   14   56 o  233.879   6.0260  149.476   7.5660  164.050   11.531  138.458   10.026  243.651   8.7584  224.107   8.2791 19.54413 12.05206 
1 1 1    7   14   57 o  107.829   9.7553   33.123   5.6375   39.555   8.3774   27.799   7.6213  117.592   13.184   98.065   14.382 19.52686 19.51054 
1 1 1    7   14   58 o   66.564   10.706   8.1311   5.5457   30.348   8.3834  -9.1548   7.3948  101.810   15.239   31.319   15.041 70.49075 21.41107 
1 1 1    7   14   59 o   49.322   14.092   5.5254   5.7839   5.3567   8.7254   5.6576   7.7249   49.796   20.381   48.848   19.467 0.9486275 28.18422 
1 1 1    7   14   60 o   72.193   22.562   17.557   9.7699   17.557   9.7699   0.0000   0.0000   72.193   22.562  ?   ?       ?      ? 
1 1 1    7   14   61 o  209.958   6.8813  124.530   7.7884  126.756   11.454  122.616   10.622  211.412   10.026  208.503   9.4276 2.908661 13.76258 
1 1 1    7   14   62 o   68.823   14.968   17.261   6.1689   15.121   9.3788   18.892   8.1898   64.266   22.208   73.381   20.074 -9.114960 29.93553 
1 1 1    7   14   63 o  118.236   10.483   44.223   6.4722   35.053   9.5696   51.953   8.7866  104.315   16.977  132.156   12.304 -27.84042 20.96671 
1 1 1    7   15    0 f  520.382   7.0714  731.646   19.869  750.530   28.801  714.496   27.445  526.776   10.118  513.987   9.8816 12.78864 14.14274 
1 1 1    7   15    1 o  873.326   10.790  2062.76   50.867  2006.05   70.035  2126.07   74.003  860.667   15.059  885.985   15.457 -25.31763 21.58010 
1 1 1    7   15    2 o  686.641   17.665  1277.93   65.544   0.0000   0.0000  1277.93   65.544  ?   ?   686.641   17.665      ?      ? 
1 1 1    7   15    3 o  315.861   8.6012  268.925   14.651  249.099   20.045  291.667   21.468  303.407   12.226  328.315   12.101 -24.90723 17.20230 
1 1 1    7   15    7 o  359.981   8.3361  350.350   16.216   0.0000   0.0000  350.350   16.216  ?   ?   359.981   8.3361      ?      ? 
1 1 1    7   15    9 o  603.251   11.309  984.331   36.865   0.0000   0.0000  984.331   36.865  ?   ?   603.251   11.309      ?      ? 
1 1 1    7   15   11 o  493.762   9.5658  659.670   25.522  663.964   36.155  655.405   36.033  495.364   13.507  492.159   13.549 3.205322 19.13160 
1 1 1    7   15   12 o  794.710   13.981  1711.37   60.030  1699.55   84.109  1723.65   85.704  791.927   19.655  797.493   19.888 -5.566284 27.96130 
1 1 1    7   15   13 o  450.025   7.8807  549.318   18.193  552.875   22.480  542.568   30.971  452.211   9.1995  447.839   12.798 4.372803 15.76131 
1 1 1    7   15   14 o  762.140   11.772  1562.35   45.377  1543.36   55.031  1602.70   80.208  755.243   13.484  769.036   19.301 -13.79309 23.54490 
1 1 1    7   15   15 o  312.695   6.9399  264.209   11.302  263.701   14.196  265.090   18.678  312.318   8.4116  313.072   11.041 -0.7541504 13.87987 
1 1 1    7   15   16 o  772.007   19.390  1615.54   80.890   0.0000   0.0000  1615.54   80.890  ?   ?   772.007   19.390      ?      ? 
1 1 1    7   15   17 o  464.083   8.1285  571.777   18.999  553.735   22.852  612.162   34.189  452.539   9.3451  475.628   13.302 -23.08960 16.25690 
1 1 1    7   15   18 o  437.069   8.9980  516.757   21.249  523.874   30.345  509.910   29.763  440.020   12.762  434.119   12.688 5.900391 17.99599 
1 1 1    7   15   19 o  539.558   10.281  787.227   29.950  768.694   41.361  807.658   43.427  532.901   14.364  546.215   14.713 -13.31421 20.56178 
1 1 1    7   15   20 o  695.442   12.555  1309.09   47.138  1344.82   68.414  1276.80   65.040  704.439   17.973  686.444   17.534 17.99548 25.10918 
1 1 1    7   15   21 o  842.945   14.868  1928.35   67.719  1918.02   95.113  1938.96   96.439  840.672   20.938  845.218   21.115 -4.545898 29.73612 
1 1 1    7   15   22 o  632.108   11.712  1082.05   39.977  1061.71   55.315  1104.28   57.840  625.921   16.354  638.296   16.770 -12.37494 23.42399 
1 1 1    7   15   23 o  520.335   10.231  732.164   28.730  710.360   39.462  756.757   41.911  512.125   14.260  528.546   14.674 -16.42163 20.46152 
1 1 1    7   15   24 o  543.720   10.553  799.972   30.979  779.955   42.766  822.072   44.937  536.589   14.749  550.852   15.097 -14.26312 21.10571 
1 1 1    7   15   25 o  548.921   10.668  814.784   31.595  789.865   43.271  843.243   46.242  539.973   14.830  557.869   15.340 -17.89557 21.33619 
1 1 1    7   15   26 o  575.748   9.5323  885.529   27.401  929.730   49.881  866.425   32.792  585.643   15.762  565.854   10.725 19.78864 19.06454 
1 1 1    7   15   28 o  687.993   8.8395  1279.76   32.831  1239.24   45.236  1324.86   47.724  676.519   12.374  699.467   12.627 -22.94781 17.67904 
1 1 1    7   15   29 f  452.333   6.6555  553.629   16.266  543.551   22.949  563.804   23.059  448.191   9.4758  456.474   9.3483 -8.282532 13.31092 
1 1 1    7   15   30 o  171.315   7.2390   78.974   6.6231   82.453   10.271   76.498   8.6657  174.504   10.892  168.127   9.5385 6.377426 14.47802 
1 1 1    7   15   31 o  343.653   6.0276  319.586   11.187  306.036   15.773  333.301   15.869  336.313   8.6791  350.993   8.3667 -14.67987 12.05525 
1 1 1    7   15   32 o  172.262   9.1738   80.335   8.5394   0.0000   0.0000   80.335   8.5394  ?   ?   172.262   9.1738      ?      ? 
1 1 1    7   15   33 o  278.597   5.8650  210.294   8.8172  205.533   12.724  214.693   12.230  275.545   8.5453  281.650   8.0357 -6.105072 11.73009 
1 1 1    7   15   34 o  792.767   9.9640  1705.51   42.650  1657.27   58.891  1758.72   61.850  781.036   13.954  804.498   14.227 -23.46259 19.92798 
1 1 1    7   15   35 o  726.537   9.2548  1432.63   36.313  1394.14   50.316  1474.47   52.459  716.389   12.998  736.685   13.178 -20.29675 18.50958 
1 1 1    7   15   36 o  269.913   7.9329  197.309   11.570   0.0000   0.0000  197.309   11.570  ?   ?   269.913   7.9329      ?      ? 
1 1 1    7   15   37 o  466.567   9.3448  590.360   23.560   0.0000   0.0000  590.360   23.560  ?   ?   466.567   9.3448      ?      ? 
1 1 1    7   15   38 o  236.919   6.0306  152.861   7.6767  144.573   11.287  159.996   10.472  230.864   9.0473  242.974   7.9760 -12.10931 12.06112 
1 1 1    7   15   39 o  186.163   6.4928   94.485   6.4709   90.937   9.7376   97.292   8.6596  182.952   9.8497  189.374   8.4623 -6.422287 12.98568 
1 1 1    7   15   40 f  190.348   6.5689   98.723   6.6694   96.583   10.230  100.305   8.7956  188.460   10.045  192.236   8.4672 -3.776108 13.13786 
1 1 1    7   15   41 o  186.121   7.9090   85.237   7.0607  114.910   14.445   75.923   8.0934  205.061   13.036  167.182   8.9589 37.87917 15.81800 
1 1 1    7   15   42 o  331.552   5.9889  296.825   10.691  265.900   14.526  333.388   15.794  312.796   8.5937  350.308   8.3436 -37.51193 11.97783 
1 1 1    7   15   43 o   46.512   14.201  -2.9959   6.1214   5.4910   11.240  -6.5743   7.2986   58.641   23.445   34.382   16.031 24.25974 28.40132 
1 1 1    7   15   44 o  204.323   8.0181  113.642   8.5695  116.577   14.077  111.914   10.802  206.097   12.640  202.550   9.8690 3.547180 16.03619 
1 1 1    7   15   45 o   67.469   15.416   12.623   6.1808   12.408   10.740   12.730   7.5576   68.347   23.757   66.592   19.653 1.754791 30.83199 
1 1 1    7   15   46 o  290.914   5.9448  231.198   9.3269  219.884   13.381  241.888   13.007  283.878   8.7231  297.951   8.0790 -14.07275 11.88960 
1 1 1    7   15   47 o  297.324   5.8627  241.546   9.4038  230.755   13.474  251.796   13.131  290.739   8.5762  303.910   7.9958 -13.17056 11.72532 
1 1 1    7   15   48 o  248.963   5.8988  169.937   7.9036  158.281   11.425  180.636   10.945  240.597   8.7877  257.329   7.8714 -16.73227 11.79757 
1 1 1    7   15   49 o  274.867   5.7719  205.416   8.5330  218.352   12.832  195.161   11.425  282.482   8.4065  267.252   7.9114 15.22971 11.54378 
1 1 1    7   15   50 o  290.411   7.8809  230.617   12.367   0.0000   0.0000  230.617   12.367  ?   ?   290.411   7.8809      ?      ? 
1 1 1    7   15   51 o  271.878   5.8247  201.197   8.4995  215.231   12.944  190.560   11.269  279.993   8.5553  263.763   7.9067 16.22955 11.64942 
1 1 1    7   15   52 o  137.139   7.7066   51.656   5.6644   56.499   8.7076   48.103   7.4581  142.512   11.307  131.766   10.475 10.74608 15.41330 
1 1 1    7   15   53 f  270.849   5.9181  202.015   8.6475  197.847   12.511  205.829   11.966  268.012   8.6387  273.686   8.0912 -5.673767 11.83614 
1 1 1    7   15   54 o   76.720   12.968   18.055   5.2743   17.779   7.9956   18.268   7.0178   75.727   19.440   77.712   17.169 -1.985176 25.93669 
1 1 1    7   15   55 o  162.677   7.2972   73.825   6.3597   73.279   9.6153   74.250   8.4793  161.803   10.997  163.551   9.5944 -1.747986 14.59431 
1 1 1    7   15   56 o  181.552   6.8545   91.429   6.6677   94.829   10.182   88.876   8.8224  184.183   10.231  178.921   9.1251 5.261841 13.70903 
1 1 1    7   15   57 o   54.177   14.250   7.8622   5.5334   9.5499   8.4580   6.5995   7.3163   57.527   20.964   50.828   19.305 6.699799 28.49901 
1 1 1    7   15   58 o  281.601   6.2576  221.713   9.4959  221.298   13.940  222.073   12.971  280.995   9.1807  282.207   8.5057 -1.211945 12.51524 
1 1 1    7   15   59 o   88.450   14.512   25.651   6.7604   24.726   10.311   26.348   8.9530   85.785   22.106   91.115   18.808 -5.330399 29.02434 
1 1 1    7   15   60 o  185.633   11.219   98.405   11.254   98.405   11.254   0.0000   0.0000  185.633   11.219  ?   ?       ?      ? 
1 1 1    7   15   61 o   58.771   13.974   10.554   6.3737  -1.0900   9.2151   21.233   8.8251   40.894   18.685   76.648   20.784 -35.75376 27.94838 
1 1 1    7   15   62 o   93.994   13.047   29.331   6.4573   27.003   9.5126   31.321   8.7936   88.171   20.375   99.816   16.303 -11.64472 26.09469 
1 1 1    7   16    1 o  766.531   9.6277  1590.02   39.879  1585.63   56.337  1594.43   56.457  765.469   13.620  767.592   13.611 -2.122803 19.25550 
1 1 1    7   16    2 o  521.470   7.1444  735.293   20.131  727.762   28.338  742.965   28.603  518.774   10.109  524.165   10.098 -5.391113 14.28873 
1 1 1    7   16    3 o  571.677   8.6004  888.526   23.345  874.775   45.480  893.445   27.202  568.489   14.805  574.865   8.7567 -6.375671 17.20077 
1 1 1    7   16    4 o  528.858   8.5717  759.253   23.278  747.973   39.515  765.248   28.807  525.738   13.909  531.977   10.021 -6.239075 17.14336 
1 1 1    7   16    5 o  350.444   5.8224  331.904   11.026   0.0000   0.0000  331.904   11.026  ?   ?   350.444   5.8224      ?      ? 
1 1 1    7   16    6 o  389.695   6.0901  410.425   12.825   0.0000   0.0000  410.425   12.825  ?   ?   389.695   6.0901      ?      ? 
1 1 1    7   16    7 o  114.761   9.6911   35.610   6.0098   0.0000   0.0000   35.610   6.0098  ?   ?   114.761   9.6911      ?      ? 
1 1 1    7   16    8 o  427.191   8.7201  493.354   20.129   0.0000   0.0000  493.354   20.129  ?   ?   427.191   8.7201      ?      ? 
1 1 1    7   16    9 o  445.662   6.5326  536.802   15.732   0.0000   0.0000  536.802   15.732  ?   ?   445.662   6.5326      ?      ? 
1 1 1    7   16   10 o  314.157   6.9102  266.759   11.731   0.0000   0.0000  266.759   11.731  ?   ?   314.157   6.9102      ?      ? 
1 1 1    7   16   11 o  295.680   8.6581  236.361   13.834   0.0000   0.0000  236.361   13.834  ?   ?   295.680   8.6581      ?      ? 
1 1 1    7   16   12 o  368.069   11.411  366.441   22.695  366.441   22.695   0.0000   0.0000  368.069   11.411  ?   ?       ?      ? 
1 1 1    7   16   13 o  395.387   8.4308  422.308   17.988  412.162   24.691  433.784   26.260  390.342   11.706  400.432   12.136 -10.08975 16.86163 
1 1 1    7   16   14 o  253.461   7.5832  173.760   10.383  179.527   14.728  168.063   14.639  257.646   10.579  249.277   10.868 8.368622 15.16639 
1 1 1    7   16   15 o  668.564   12.141  1210.77   43.860  1205.63   61.769  1215.99   62.289  667.137   17.134  669.990   17.205 -2.853210 24.28160 
1 1 1    7   16   16 o  291.478   6.7862  233.346   10.354  214.189   16.487  245.820   13.304  281.411   10.842  301.544   8.1648 -20.13248 13.57244 
1 1 1    7   16   17 o  655.735   11.995  1164.79   42.499  1170.95   60.479  1158.78   59.732  657.441   17.024  654.030   16.901 3.410583 23.98910 
1 1 1    7   16   18 o  1233.18   18.298  4133.27  114.819  4144.14  199.333  4127.87  140.462  1233.02   29.917  1233.33   21.076 -0.3106689 36.59564 
1 1 1    7   16   19 o  631.897   16.497  1081.98   56.329  1081.98   56.329   0.0000   0.0000  631.897   16.497  ?   ?       ?      ? 
1 1 1    7   16   20 o  212.482   12.475  122.207   14.323  122.207   14.323   0.0000   0.0000  212.482   12.475  ?   ?       ?      ? 
1 1 1    7   16   21 o  371.036   6.2195  372.337   12.467  363.007   17.605  381.723   17.658  366.369   8.8928  375.703   8.6976 -9.333832 12.43901 
1 1 1    7   16   22 o  352.704   6.1734  334.635   11.728  358.390   17.466  315.132   15.826  364.037   8.8790  341.372   8.5795 22.66531 12.34689 
1 1 1    7   16   23 o  1007.38   17.442  2752.02   94.944   0.0000   0.0000  2752.02   94.944  ?   ?   1007.38   17.442      ?      ? 
1 1 1    7   16   24 o  373.892   6.2778  378.281   12.678  368.795   18.046  387.525   17.814  369.255   9.0441  378.530   8.7090 -9.275421 12.55559 
1 1 1    7   16   25 o   93.468   12.820   23.560   6.2930   33.570   9.6333   16.107   8.3116  111.271   16.021   75.664   20.019 35.60701 25.64042 
1 1 1    7   16   26 o  610.665   8.1039  1008.65   26.731  981.496   37.181  1037.69   38.458  602.169   11.427  619.161   11.495 -16.99225 16.20786 
1 1 1    7   16   27 o  518.683   7.2863  727.872   20.418  712.779   28.548  743.677   29.215  513.181   10.295  524.184   10.314 -11.00311 14.57268 
1 1 1    7   16   28 o  449.516   6.7387  546.495   16.362  525.358   22.843  568.762   23.446  440.591   9.5948  458.441   9.4646 -17.84940 13.47735 
1 1 1    7   16   30 f   95.270   15.688   24.657   8.0763   0.0000   0.0000   24.657   8.0763  ?   ?    95.270   15.688      ?      ? 
1 1 1    7   16   31 o  199.297   10.002  107.593   10.772  107.593   10.772   0.0000   0.0000  199.297   10.002  ?   ?       ?      ? 
1 1 1    7   16   32 o  662.897   12.097  1192.04   43.333   0.0000   0.0000  1192.04   43.333  ?   ?   662.897   12.097      ?      ? 
1 1 1    7   16   33 o  544.377   7.4621  803.347   21.950  792.911   30.977  813.870   31.106  540.818   10.600  547.935   10.506 -7.117432 14.92417 
1 1 1    7   16   34 o  619.037   11.443  1040.13   38.279   0.0000   0.0000  1040.13   38.279  ?   ?   619.037   11.443      ?      ? 
1 1 1    7   16   35 o  413.211   6.3927  462.662   14.268  443.653   19.974  482.466   20.387  404.534   9.1374  421.889   8.9428 -17.35477 12.78537 
1 1 1    7   16   36 o  199.399   6.4875  108.859   6.9098   99.503   10.309  116.490   9.3108  191.478   9.9637  207.319   8.3111 -15.84131 12.97496 
1 1 1    7   16   37 f  419.754   6.4169  478.153   14.551  466.477   20.607  489.764   20.550  414.618   9.1976  424.889   8.9504 -10.27133 12.83376 
1 1 1    7   16   38 o  198.409   6.4962  106.406   6.8745  109.975   10.690  103.889   8.9769  201.158   9.8343  195.660   8.4906 5.498886 12.99244 
1 1 1    7   16   39 o  173.270   6.9370   82.153   6.3909   78.400   9.8390   84.892   8.4056  169.720   10.728  176.819   8.7973 -7.099106 13.87404 
1 1 1    7   16   40 o  521.562   8.9111  748.256   23.769  727.027   40.498  759.412   29.358  514.919   14.555  528.205   10.286 -13.28564 17.82226 
1 1 1    7   16   41 o  167.714   9.3686   78.490   8.1062   72.140   13.340   82.207   10.207  161.847   15.254  173.581   10.882 -11.73396 18.73721 
1 1 1    7   16   42 o  172.691   9.1402   83.978   8.1052   74.324   13.315   89.662   10.216  164.134   15.012  181.248   10.431 -17.11383 18.28038 
1 1 1    7   16   43 o  199.544   8.1916  109.157   8.5069  108.559   14.036  109.505   10.695  198.748   13.069  200.339   9.8794 -1.590561 16.38315 
1 1 1    7   16   44 o  195.041   6.9501  104.192   7.3033  111.124   10.205   96.914   10.457  201.807   9.3578  188.274   10.278 13.53381 13.90013 
1 1 1    7   16   45 o  174.619   6.9974   84.546   6.4687   77.180   9.9473   89.944   8.5151  167.684   10.978  181.554   8.6795 -13.87009 13.99476 
1 1 1    7   16   46 o  430.769   6.5350  507.445   15.208  491.887   21.412  523.281   21.602  424.048   9.3446  437.489   9.1379 -13.44064 13.06994 
1 1 1    7   16   47 o  157.851   7.2898   68.194   6.1144   69.869   9.6072   67.054   7.9272  159.248   11.164  156.454   9.3766 2.794037 14.57957 
1 1 1    7   16   48 o   90.674   11.392   22.355   5.3365   31.356   8.7012   16.928   6.7564  105.510   15.261   75.838   16.917 29.67176 22.78381 
1 1 1    7   16   49 o   78.918   12.985   18.798   5.4072   16.795   8.2772   20.289   7.1416   74.629   20.083   83.206   16.467 -8.576660 25.97086 
1 1 1    7   16   50 o  232.497   6.0427  146.934   7.5390  160.726   11.515  136.586   9.9740  241.835   8.8115  223.160   8.2711 18.67563 12.08532 
1 1 1    7   16   51 o  167.745   7.1351   77.430   6.4030   80.561   9.8489   75.138   8.4270  170.428   10.694  165.061   9.4480 5.366898 14.27010 
1 1 1    7   16   52 o  155.915   7.5349   67.574   6.2735   67.946   9.6413   67.301   8.2617  155.945   11.441  155.886   9.8079 0.5918884E-01 15.06976 
1 1 1    7   16   53 o  216.088   6.1989  128.384   7.2117  135.141   10.762  122.877   9.7158  221.097   9.0080  211.080   8.5181 10.01688 12.39770 
1 1 1    7   16   54 o  248.433   6.1659  171.787   8.2078  150.132   11.791  192.143   11.432  232.700   9.3773  264.166   8.0088 -31.46568 12.33184 
1 1 1    7   16   55 f  138.377   8.3911   55.356   6.1015   42.914   8.8857   66.456   8.3930  122.463   13.428  154.291   10.067 -31.82841 16.78218 
1 1 1    7   16   56 o  256.437   6.1776  182.443   8.5340  182.671   12.568  182.249   11.625  256.320   9.0743  256.554   8.3851 -0.2337341 12.35527 
1 1 1    7   16   57 o  112.098   10.740   37.770   6.3736   34.700   9.7444   40.065   8.4259  106.869   16.874  117.327   13.290 -10.45788 21.47924 
1 1 1    7   16   58 o  139.530   13.963   56.903   10.528   56.903   10.528   0.0000   0.0000  139.530   13.963  ?   ?       ?      ? 
1 1 1    7   16   59 o   35.207   11.930 -13.3248   6.6074  -2.3406   9.7265 -22.7372   9.0037   42.561   19.350   27.853   13.959 14.70809 23.85918 
1 1 1    7   16   60 f   90.155   13.691   28.232   6.4554   26.336   9.5327   29.837   8.7732   85.665   20.801   94.645   17.808 -8.979881 27.38254 
1 1 1    7   16   61 o  173.197   7.7418   85.995   7.2129   97.046   10.787   77.058   9.7005  183.228   10.895  163.166   11.002 20.06161 15.48366 
1 1 1    7   16   62 o  118.712   10.748   44.851   6.8261   39.270   9.7609   50.193   9.5497  109.978   16.425  127.446   13.867 -17.46808 21.49542 
1 1 1    7   17    1 o  1029.51   12.574  2870.74   69.944  2890.74   99.688  2851.34   98.160  1033.03   17.858  1025.99   17.705 7.041138 25.14754 
1 1 1    7   17    2 o  383.388   6.1031  397.276   12.642  403.293   18.064  391.500   17.699  386.232   8.6552  380.544   8.6069 5.687927 12.20624 
1 1 1    7   17    3 o  340.233   6.4006  310.563   10.467  318.243   20.207  307.746   12.237  343.034   10.901  337.432   6.7112 5.602112 12.80125 
1 1 1    7   17    4 o  514.990   8.1684  716.965   22.731   0.0000   0.0000  716.965   22.731  ?   ?   514.990   8.1684      ?      ? 
1 1 1    7   17    5 o  157.435   7.8118   67.002   6.6457   0.0000   0.0000   67.002   6.6457  ?   ?   157.435   7.8118      ?      ? 
1 1 1    7   17    6 o   89.979   13.060   21.907   6.3501   0.0000   0.0000   21.907   6.3501  ?   ?    89.979   13.060      ?      ? 
1 1 1    7   17    7 o  796.355   10.012  1714.94   43.085   0.0000   0.0000  1714.94   43.085  ?   ?   796.355   10.012      ?      ? 
1 1 1    7   17    8 o  220.062   7.7292  130.911   9.1911   0.0000   0.0000  130.911   9.1911  ?   ?   220.062   7.7292      ?      ? 
1 1 1    7   17    9 o  271.161   7.2377  198.752   10.605   0.0000   0.0000  198.752   10.605  ?   ?   271.161   7.2377      ?      ? 
1 1 1    7   17   10 o  169.305   7.1031   77.481   6.4984   0.0000   0.0000   77.481   6.4984  ?   ?   169.305   7.1031      ?      ? 
1 1 1    7   17   11 o  806.634   10.100  1759.55   44.024   0.0000   0.0000  1759.55   44.024  ?   ?   806.634   10.100      ?      ? 
1 1 1    7   17   12 o  523.330   8.6962  740.018   23.082  743.694   40.377  738.233   28.131  524.173   14.255  522.487   9.9639 1.686096 17.39231 
1 1 1    7   17   13 o  508.707   8.5174  701.422   22.069  696.171   38.165  704.060   27.050  507.161   13.926  510.253   9.8107 -3.092285 17.03474 
1 1 1    7   17   14 o  194.251   6.9158  102.050   7.2454   93.839   10.148  110.589   10.348  186.274   10.082  202.228   9.4696 -15.95424 13.83161 
1 1 1    7   17   16 o  333.808   7.4540  304.705   12.863  313.200   16.130  289.865   21.319  340.331   8.7712  327.285   12.055 13.04510 14.90796 
1 1 1    7   17   17 o  722.669   18.482  1416.67   72.171   0.0000   0.0000  1416.67   72.171  ?   ?   722.669   18.482      ?      ? 
1 1 1    7   17   18 o  330.849   7.4244  295.607   12.517  297.748   21.705  294.540   15.322  331.671   12.111  330.026   8.5918 1.645264 14.84875 
1 1 1    7   17   22 o  873.333   15.370  2067.36   72.533   0.0000   0.0000  2067.36   72.533  ?   ?   873.333   15.370      ?      ? 
1 1 1    7   17   23 o  625.094   11.695  1057.70   39.503   0.0000   0.0000  1057.70   39.503  ?   ?   625.094   11.695      ?      ? 
1 1 1    7   17   24 o  322.267   8.8631  280.917   15.434   0.0000   0.0000  280.917   15.434  ?   ?   322.267   8.8631      ?      ? 
1 1 1    7   17   25 f  210.450   7.0605  119.455   8.0063  125.011   11.872  114.821   10.843  214.914   10.223  205.986   9.7418 8.928482 14.12099 
1 1 1    7   17   26 o  170.436   12.295   78.699   11.323   78.699   11.323   0.0000   0.0000  170.436   12.295  ?   ?       ?      ? 
1 1 1    7   17   27 o  150.126   9.0949   60.207   7.3068   73.437   11.029   49.857   9.7546  164.632   12.398  135.620   13.311 29.01094 18.18985 
1 1 1    7   17   28 o  334.180   8.8467  302.244   15.975   0.0000   0.0000  302.244   15.975  ?   ?   334.180   8.8467      ?      ? 
1 1 1    7   17   29 o  251.719   8.5259  171.513   11.597   0.0000   0.0000  171.513   11.597  ?   ?   251.719   8.5259      ?      ? 
1 1 1    7   17   30 o   76.708   14.864   16.607   6.3195   16.239   9.5157   16.897   8.4527   76.179   21.930   77.237   20.070 -1.057716 29.72769 
1 1 1    7   17   32 o  218.254   6.5654  129.500   7.7170  120.927   11.116  137.476   10.721  211.226   9.7391  225.281   8.8072 -14.05511 13.13081 
1 1 1    7   17   33 o  209.886   6.8113  119.622   7.6708  117.956   11.509  120.954   10.289  208.522   10.214  211.250   9.0137 -2.727768 13.62265 
1 1 1    7   17   34 o  109.093   10.458   32.720   6.0730   30.789   9.2714   34.171   8.0373  106.152   16.163  112.034   13.276 -5.882408 20.91666 
1 1 1    7   17   35 o  344.032   6.1172  321.486   11.351  302.387   16.173  340.027   15.935  333.899   8.9638  354.165   8.3265 -20.26587 12.23438 
1 1 1    7   17   36 o  305.868   6.0334  253.814   9.9414  253.621   14.640  253.979   13.543  305.711   8.8622  306.025   8.1895 -0.3135376 12.06674 
1 1 1    7   17   37 o  250.972   8.2410  170.919   11.176   0.0000   0.0000  170.919   11.176  ?   ?   250.972   8.2410      ?      ? 
1 1 1    7   17   38 o  395.898   8.7335  428.724   18.635  407.658   26.887  448.198   25.852  386.345   12.879  405.450   11.799 -19.10489 17.46703 
1 1 1    7   17   39 o  248.885   8.5318  171.515   11.088  159.549   17.818  179.077   14.164  241.324   13.664  256.446   10.221 -15.12230 17.06361 
1 1 1    7   17   40 o  158.105   10.066   70.501   7.9458   63.896   13.887   73.716   9.6886  151.888   16.919  164.322   10.911 -12.43423 20.13262 
1 1 1    7   17   41 o  288.668   6.7713  225.043   10.402  215.803   13.461  238.739   16.387  281.564   8.8471  295.772   10.253 -14.20749 13.54264 
1 1 1    7   17   42 o  235.417   7.7103  150.494   8.7501  153.986   16.776  149.189   10.256  236.641   13.120  234.192   8.1040 2.448639 15.42069 
1 1 1    7   17   43 o  382.137   7.7941  410.483   15.195  366.892   25.387  434.816   18.967  364.933   12.874  399.340   8.7897 -34.40707 15.58815 
1 1 1    7   17   44 o  257.454   6.6992  180.809   9.2543  177.581   12.328  184.977   14.008  254.995   8.9466  259.914   9.9738 -4.918259 13.39849 
1 1 1    7   17   45 o  268.694   8.1112  196.925   11.777   0.0000   0.0000  196.925   11.777  ?   ?   268.694   8.1112      ?      ? 
1 1 1    7   17   46 o   99.695   11.527   30.460   5.6257   21.083   8.8984   36.702   7.2608   84.109   19.891  115.281   11.656 -31.17178 23.05441 
1 1 1    7   17   47 o  257.722   6.0221  182.568   8.3490  172.006   12.164  191.976   11.480  250.453   8.9878  264.991   8.0175 -14.53801 12.04411 
1 1 1    7   17   48 o  248.255   6.0897  170.155   8.1097  151.802   11.715  187.042   11.238  235.045   9.2237  261.466   7.9537 -26.42070 12.17942 
1 1 1    7   17   49 o  102.469   10.444   29.411   5.6393   31.258   9.1426   28.277   7.1645  104.563   16.181  100.375   13.209 4.187302 20.88790 
1 1 1    7   17   50 o  167.844   7.3169   77.051   6.5057   82.933   10.424   73.297   8.3267  172.685   11.170  163.004   9.4533 9.680466 14.63371 
1 1 1    7   17   51 o  185.268   6.8237   94.077   6.7234  100.158   10.616   90.005   8.6878  189.887   10.346  180.649   8.8999 9.237839 13.64737 
1 1 1    7   17   52 o   47.033   13.261   3.5925   5.3730  -1.7052   8.1728   7.6250   7.1305   40.848   18.222   53.218   19.271 -12.37054 26.52207 
1 1 1    7   17   53 o   83.125   12.736   21.810   5.6868   14.239   8.5226   27.886   7.6351   67.621   21.062   98.629   14.326 -31.00796 25.47264 
1 1 1    7   17   54 o  136.523   8.3616   51.896   6.1212   61.181   9.3018   44.804   8.1295  147.201   11.694  125.846   11.955 21.35586 16.72317 
1 1 1    7   17   55 f   92.124   12.488   26.206   5.9848   23.108   9.0926   28.574   7.9496   85.197   20.079   99.051   14.852 -13.85478 24.97531 
1 1 1    7   17   56 o   64.278   14.548   13.550   5.9701   8.7897   8.8568   17.514   8.0822   55.512   21.203   73.043   19.925 -17.53125 29.09591 
1 1 1    7   17   57 o   81.660   14.583   22.238   6.4252   19.874   9.9674   23.920   8.4045   76.448   22.572   86.873   18.472 -10.42577 29.16663 
1 1 1    7   17   58 o   40.317   12.826  -7.0644   6.3810   5.5653   9.4774 -17.5368   8.6301   51.357   21.156   29.277   14.507 22.07914 25.65248 
1 1 1    7   17   59 o   95.368   13.392   31.266   6.6835   27.211   10.028   34.507   8.9648   86.291   21.566  104.444   15.884 -18.15260 26.78448 
1 1 1    7   17   60 o   69.679   15.123   17.485   6.3079   15.132   9.6343   19.250   8.3454   64.830   22.502   74.528   20.212 -9.698235 30.24686 
1 1 1    7   17   61 o  103.117   12.440   35.613   6.7427   33.501   9.7475   37.551   9.3369   98.193   19.058  108.042   15.993 -9.848984 24.87930 
1 1 1    7   18    0 o  316.701   5.9747  270.718   10.214  280.818   14.863  261.677   14.061  322.288   8.5342  311.115   8.3640 11.17337 11.94938 
1 1 1    7   18    2 o   80.274   12.823   17.945   5.1424   18.453   9.1440   17.711   6.2191   80.963   20.792   79.585   15.012 1.377373 25.64515 
1 1 1    7   18    3 o  207.447   11.016  116.396   12.348  116.396   12.348   0.0000   0.0000  207.447   11.016  ?   ?       ?      ? 
1 1 1    7   18    4 o  703.589   12.619  1339.39   47.975   0.0000   0.0000  1339.39   47.975  ?   ?   703.589   12.619      ?      ? 
1 1 1    7   18    5 o  353.752   8.2508  338.313   15.772   0.0000   0.0000  338.313   15.772  ?   ?   353.752   8.2508      ?      ? 
1 1 1    7   18    6 o  167.604   7.2789   75.933   6.5923   0.0000   0.0000   75.933   6.5923  ?   ?   167.604   7.2789      ?      ? 
1 1 1    7   18    7 o  591.055   7.9631  944.414   25.433   0.0000   0.0000  944.414   25.433  ?   ?   591.055   7.9631      ?      ? 
1 1 1    7   18    8 o  240.832   8.0720  156.800   10.505   0.0000   0.0000  156.800   10.505  ?   ?   240.832   8.0720      ?      ? 
1 1 1    7   18    9 o  458.586   10.118  568.748   25.072   0.0000   0.0000  568.748   25.072  ?   ?   458.586   10.118      ?      ? 
1 1 1    7   18   10 o  407.218   9.8043  448.459   21.574   0.0000   0.0000  448.459   21.574  ?   ?   407.218   9.8043      ?      ? 
1 1 1    7   18   11 o  427.942   6.5895  495.019   15.238   0.0000   0.0000  495.019   15.238  ?   ?   427.942   6.5895      ?      ? 
1 1 1    7   18   12 o   62.224   17.281   10.801   6.0179   0.0000   0.0000   10.801   6.0179  ?   ?    62.224   17.281      ?      ? 
1 1 1    7   18   13 o  603.612   9.1602  997.509   26.308  962.612   50.818  1010.28   30.749  596.036   15.778  611.189   9.3103 -15.15253 18.32033 
1 1 1    7   18   14 o  685.839   10.807  1275.15   37.944  1272.30   65.028  1276.62   46.722  684.948   17.569  686.731   12.591 -1.782349 21.61484 
1 1 1    7   18   15 o  712.110   18.279  1375.68   70.337   0.0000   0.0000  1375.68   70.337  ?   ?   712.110   18.279      ?      ? 
1 1 1    7   18   16 o  696.786   11.097  1308.42   39.341  1294.48   48.001  1336.94   68.665  691.501   12.846  702.072   18.099 -10.57062 22.19490 
1 1 1    7   18   17 o  381.990   7.9170  391.259   15.433  405.631   26.871  384.185   18.852  387.086   12.847  376.893   9.2565 10.19296 15.83409 
1 1 1    7   18   18 o  814.051   12.569  1801.72   52.290  1784.91   89.751  1810.35   64.337  810.636   20.489  817.465   14.565 -6.828857 25.13844 
1 1 1    7   18   19 o  339.735   6.5068  312.178   11.942  302.861   16.805  321.685   16.975  334.609   9.2941  344.860   9.1091 -10.25034 13.01369 
1 1 1    7   18   20 o  289.633   6.6491  226.992   10.396  225.397   15.019  228.458   14.403  288.648   9.6291  290.618   9.1718 -1.970062 13.29820 
1 1 1    7   18   21 o  231.181   10.019  144.599   12.516   0.0000   0.0000  144.599   12.516  ?   ?   231.181   10.019      ?      ? 
1 1 1    7   18   22 o  543.926   10.754  800.770   31.607   0.0000   0.0000  800.770   31.607  ?   ?   543.926   10.754      ?      ? 
1 1 1    7   18   23 o  411.299   6.7213  457.725   14.935  445.001   20.998  470.754   21.248  405.509   9.5827  417.089   9.4275 -11.57986 13.44263 
1 1 1    7   18   24 o  309.474   6.5426  259.387   10.932  250.810   15.602  267.659   15.322  304.432   9.4841  314.516   9.0152 -10.08380 13.08517 
1 1 1    7   18   25 o  287.231   6.4801  223.343   10.048  211.490   14.166  235.346   14.256  279.547   9.3777  294.915   8.9456 -15.36749 12.96012 
1 1 1    7   18   26 o  246.107   6.6580  164.003   8.8514  162.633   12.651  165.318   12.389  245.092   9.5520  247.122   9.2776 -2.029800 13.31597 
1 1 1    7   18   27 o  174.086   7.9113   82.244   7.4257   80.521   10.802   83.787   10.225  172.335   11.600  175.837   10.761 -3.502182 15.82251 
1 1 1    7   18   28 o  234.493   9.1910  148.906   11.646   0.0000   0.0000  148.906   11.646  ?   ?   234.493   9.1910      ?      ? 
1 1 1    7   18   29 o  573.300   7.8227  890.454   24.224  864.450   33.680  918.325   34.867  564.640   11.038  581.960   11.088 -17.31970 15.64546 
1 1 1    7   18   30 o  421.258   9.1369  480.774   20.799   0.0000   0.0000  480.774   20.799  ?   ?   421.258   9.1369      ?      ? 
1 1 1    7   18   31 o   82.209   14.300   19.106   6.2599   20.557   9.5817   18.025   8.2684   84.867   21.007   79.551   19.407 5.316498 28.59931 
1 1 1    7   18   32 o  376.764   6.3544  384.849   12.931  369.756   18.202  400.228   18.374  369.287   9.1215  384.242   8.8493 -14.95557 12.70880 
1 1 1    7   18   33 o  246.732   6.4142  165.800   8.4983  158.016   12.568  172.358   11.535  241.314   9.6381  252.151   8.4661 -10.83772 12.82834 
1 1 1    7   18   34 o  164.883   10.123   73.852   9.0195   0.0000   0.0000   73.852   9.0195  ?   ?   164.883   10.123      ?      ? 
1 1 1    7   18   35 o  297.852   8.7297  245.498   13.818  199.797   19.899  288.063   19.204  270.383   13.619  325.321   10.924 -54.93784 17.45943 
1 1 1    7   18   36 o  144.594   12.003   58.008   8.7985   56.104   15.222   58.964   10.782  142.325   19.792  146.862   13.586 -4.537292 24.00691 
1 1 1    7   18   37 o  233.347   9.0609  149.119   10.797  147.838   18.550  149.775   13.277  232.148   14.787  234.546   10.476 -2.398438 18.12187 
1 1 1    7   18   38 o  161.395   8.6932   71.584   7.5105   83.357   10.681   60.068   10.563  174.737   11.312  148.054   13.203 26.68311 17.38636 
1 1 1    7   18   39 o   45.337   13.595   0.5530   5.8223  -2.8142   9.1504   2.8436   7.5472   43.625   19.383   47.048   19.069 -3.422638 27.19039 
1 1 1    7   18   40 o  192.633   6.6100  100.757   6.8143  103.715   10.448   98.567   8.9892  194.981   9.9166  190.285   8.7424 4.696533 13.22000 
1 1 1    7   18   41 o  190.602   6.8889   99.258   7.0088   98.540   10.762   99.787   9.2364  189.849   10.490  191.355   8.9325 -1.506577 13.77789 
1 1 1    7   18   42 f  365.359   6.2028  364.686   12.228  347.710   17.466  381.008   17.126  356.891   9.0566  373.827   8.4781 -16.93597 12.40564 
1 1 1    7   18   43 o  183.831   9.5582   99.823   7.9924   81.599   15.665  106.236   9.2929  170.404   17.013  197.258   8.7182 -26.85329 19.11637 
1 1 1    7   18   44 o  255.097   6.8590  176.003   9.3670  162.490   12.275  194.842   14.494  243.660   9.3229  266.535   10.063 -22.87479 13.71800 
1 1 1    7   18   45 o  139.492   8.9311   54.177   6.7058   49.358   9.5567   58.851   9.4119  133.167   13.281  145.818   11.945 -12.65158 17.86211 
1 1 1    7   18   46 o   47.073   13.373   0.8580   5.2830   9.1682   8.9408  -3.6001   6.5485   59.459   21.571   34.686   15.811 24.77256 26.74536 
1 1 1    7   18   47 o  210.185   8.3439  121.084   9.4768   0.0000   0.0000  121.084   9.4768  ?   ?   210.185   8.3439      ?      ? 
1 1 1    7   18   48 o  147.955   8.0290   61.982   6.2075   55.743   9.8296   66.121   8.0059  141.045   12.897  154.865   9.5668 -13.81999 16.05795 
1 1 1    7   18   49 o  164.603   7.6188   75.667   6.5769   73.433   10.567   77.079   8.4027  162.038   12.069  167.168   9.3020 -5.129852 15.23752 
1 1 1    7   18   50 o   41.015   12.770  -2.7205   5.3881   3.8655   9.0094  -6.3877   6.7228   50.027   20.620   32.004   15.069 18.02280 25.53966 
1 1 1    7   18   51 o  166.886   7.3761   77.850   6.5157   76.541   10.243   78.740   8.4444  165.163   11.477  168.609   9.2683 -3.446777 14.75222 
1 1 1    7   18   52 o  138.606   8.6170   54.101   6.2787   54.602   10.121   53.787   8.0051  138.446   13.529  138.766   10.676 -0.3199310 17.23407 
1 1 1    7   18   53 o  197.873   6.9698  110.263   7.3646  100.368   10.957  118.419   9.9467  189.125   10.721  206.620   8.9088 -17.49524 13.93956 
1 1 1    7   18   54 o   97.484   12.238   28.664   6.2099   29.143   9.6211   28.321   8.1303   96.593   19.110   98.375   15.294 -1.782318 24.47647 
1 1 1    7   18   55 o  139.311   9.1461   57.532   6.6987   47.802   10.054   65.300   8.9831  127.135   14.635  151.486   10.974 -24.35080 18.29218 
1 1 1    7   18   56 o  153.637   8.7677   66.982   7.2179   74.931   11.122   61.198   9.4873  161.122   12.774  146.152   12.013 14.97066 17.53546 
1 1 1    7   18   57 o   56.957   14.733   7.9762   6.2824   16.490   9.6411   1.6934   8.2821   69.794   22.486   44.120   19.043 25.67438 29.46587 
1 1 1    7   18   58 o   55.602   15.197   10.555   6.4728   10.188   9.7742   10.841   8.6386   55.211   21.930   55.993   21.044 -0.7824097 30.39359 
1 1 1    7   18   59 o   61.435   15.302   13.135   6.2806   13.297   9.5969   13.014   8.3063   61.561   22.347   61.310   20.910 0.2510834 30.60395 
1 1 1    7   18   60 o   52.694   16.172   5.1280   7.8881  -0.2246   9.3989   17.881   14.508   41.477   18.920   63.910   26.234 -22.43310 32.34461 
1 1 1    7   19    0 o  651.456   8.6160  1148.33   30.330  1137.24   42.798  1159.53   42.988  648.293   12.217  654.620   12.153 -6.326233 17.23191 
1 1 1    7   19    2 o  779.871   11.955  1649.76   47.623  1642.79   81.938  1653.31   58.523  778.254   19.484  781.488   13.859 -3.234131 23.90989 
1 1 1    7   19    3 o  698.939   11.039  1282.35   37.862  1420.72   71.907  1229.27   44.535  723.881   18.383  673.998   12.228 49.88306 22.07860 
1 1 1    7   19    4 o  974.715   12.029  2570.84   63.355   0.0000   0.0000  2570.84   63.355  ?   ?   974.715   12.029      ?      ? 
1 1 1    7   19    5 o  376.031   7.6046  382.277   15.452   0.0000   0.0000  382.277   15.452  ?   ?   376.031   7.6046      ?      ? 
1 1 1    7   19    6 o  606.227   11.310  994.368   37.051   0.0000   0.0000  994.368   37.051  ?   ?   606.227   11.310      ?      ? 
1 1 1    7   19    7 f  635.752   8.4722  1092.93   29.105   0.0000   0.0000  1092.93   29.105  ?   ?   635.752   8.4722      ?      ? 
1 1 1    7   19    8 o  784.652   13.942  1667.30   59.115   0.0000   0.0000  1667.30   59.115  ?   ?   784.652   13.942      ?      ? 
1 1 1    7   19    9 o  490.205   7.2119  649.660   19.104   0.0000   0.0000  649.660   19.104  ?   ?   490.205   7.2119      ?      ? 
1 1 1    7   19   10 o  164.334   8.1614   73.024   7.2474   0.0000   0.0000   73.024   7.2474  ?   ?   164.334   8.1614      ?      ? 
1 1 1    7   19   11 o  224.998   7.0777  136.860   8.6052   0.0000   0.0000  136.860   8.6052  ?   ?   224.998   7.0777      ?      ? 
1 1 1    7   19   12 o  549.169   7.7233  815.414   22.919   0.0000   0.0000  815.414   22.919  ?   ?   549.169   7.7233      ?      ? 
1 1 1    7   19   13 f  422.042   7.5010  479.883   14.939  486.036   29.590  477.778   17.306  423.712   12.923  420.371   7.6187 3.341156 15.00201 
1 1 1    7   19   14 o  604.570   11.434  990.631   37.345  985.360   52.166  996.171   53.487  602.940   16.011  606.200   16.328 -3.259827 22.86863 
1 1 1    7   19   15 o  438.278   13.630  520.270   32.280   0.0000   0.0000  520.270   32.280  ?   ?   438.278   13.630      ?      ? 
1 1 1    7   19   16 o  159.719   10.184   67.666   8.6679   77.883   13.722   60.883   11.181  169.521   14.980  149.917   13.802 19.60388 20.36896 
1 1 1    7   19   17 o  859.847   13.267  1989.99   57.473  2054.73  102.459  1960.27   69.425  869.239   21.813  850.455   15.107 18.78369 26.53371 
1 1 1    7   19   18 o  485.461   7.3581  637.315   19.286  646.777   27.942  628.707   26.652  488.888   10.577  482.034   10.232 6.853882 14.71613 
1 1 1    7   19   19 o  602.324   11.591  982.226   37.726   0.0000   0.0000  982.226   37.726  ?   ?   602.324   11.591      ?      ? 
1 1 1    7   19   20 f  449.429   7.0659  546.712   17.157  544.898   24.465  548.467   24.067  448.688   10.091  450.170   9.8938 -1.482361 14.13175 
1 1 1    7   19   21 o  509.128   10.450  701.736   28.751   0.0000   0.0000  701.736   28.751  ?   ?   509.128   10.450      ?      ? 
1 1 1    7   19   22 o  704.049   9.1687  1342.30   34.865  1309.44   48.393  1377.77   50.274  695.109   12.884  712.988   13.049 -17.87848 18.33748 
1 1 1    7   19   23 o  284.257   6.7095  218.968   10.294  209.111   14.667  228.535   14.450  277.930   9.7663  290.584   9.2026 -12.65356 13.41897 
1 1 1    7   19   24 o  141.881   10.003   54.928   7.6289   50.747   11.077   58.702   10.522  136.675   14.999  147.087   13.239 -10.41138 20.00543 
1 1 1    7   19   26 f  402.113   9.2283  437.899   20.052   0.0000   0.0000  437.899   20.052  ?   ?   402.113   9.2283      ?      ? 
1 1 1    7   19   27 o   98.689   13.180   26.959   6.8549   32.455   10.022   22.127   9.3968  109.134   16.994   88.243   20.149 20.89165 26.35921 
1 1 1    7   19   28 o  208.934   7.2400  118.488   8.1494  116.573   11.946  120.154   11.145  207.322   10.663  210.546   9.7963 -3.223145 14.48010 
1 1 1    7   19   29 o  360.057   6.4394  351.592   12.521  339.509   17.788  363.457   17.627  353.897   9.3019  366.216   8.9074 -12.31891 12.87889 
1 1 1    7   19   30 o  213.548   9.5129  123.684   10.977   0.0000   0.0000  123.684   10.977  ?   ?   213.548   9.5129      ?      ? 
1 1 1    7   19   31 o  330.398   8.3249  306.020   13.466  274.549   24.328  319.921   16.169  317.295   14.189  343.502   8.7111 -26.20764 16.64981 
1 1 1    7   19   32 o  442.820   9.6278  534.836   23.000  494.820   32.190  576.576   32.876  425.781   13.991  459.858   13.230 -34.07700 19.25552 
1 1 1    7   19   33 o  160.679   11.642   71.743   9.5544   68.243   16.215   73.604   11.825  157.193   19.090  164.165   13.330 -6.973038 23.28331 
1 1 1    7   19   34 o  103.647   16.547   28.707   8.7937   41.779   15.056   21.939   10.833  120.206   24.020   87.087   22.766 33.11841 33.09420 
1 1 1    7   19   35 o  391.100   7.6010  414.903   15.607  409.855   19.794  423.198   25.374  388.316   9.4331  393.884   11.921 -5.568420 15.20210 
1 1 1    7   19   36 o  178.561   9.6493   86.770   9.3105   0.0000   0.0000   86.770   9.3105  ?   ?   178.561   9.6493      ?      ? 
1 1 1    7   19   37 o   67.592   14.890   12.591   5.9266   14.267   9.4151   11.491   7.6273   71.093   22.137   64.090   19.919 7.003059 29.77948 
1 1 1    7   19   38 o  294.147   6.1392  235.850   9.7349  228.913   14.138  242.105   13.424  289.942   9.0236  298.352   8.3268 -8.409790 12.27843 
1 1 1    7   19   39 o  385.967   8.7583  405.678   18.267   0.0000   0.0000  405.678   18.267  ?   ?   385.967   8.7583      ?      ? 
1 1 1    7   19   40 o  289.631   6.1699  229.580   9.6127  216.037   14.004  241.645   13.219  281.376   9.2106  297.886   8.2119 -16.51041 12.33984 
1 1 1    7   19   41 o  120.330   12.289   39.911   7.9904   0.0000   0.0000   39.911   7.9904  ?   ?   120.330   12.289      ?      ? 
1 1 1    7   19   42 o  124.358   8.9991   42.466   5.9458   44.304   9.3810   41.233   7.6871  126.359   13.739  122.358   11.626 4.000320 17.99816 
1 1 1    7   19   43 o   80.180   15.563   20.187   6.3422   14.685   13.806   21.658   7.1401   73.727   26.797   86.633   15.836 -12.90587 31.12618 
1 1 1    7   19   44 o  224.568   8.1407  138.022   8.6722  142.658   17.060  136.407   10.070  225.840   13.980  223.296   8.3459 2.544220 16.28142 
1 1 1    7   19   45 o  112.916   10.635   35.153   6.4172   42.074   9.9913   30.293   8.3723  122.139   15.138  103.694   14.942 18.44469 21.27048 
1 1 1    7   19   46 o  189.178   7.5106   99.075   7.6752   96.299   10.860  101.847   10.849  186.462   10.778  191.894   10.463 -5.431473 15.02114 
1 1 1    7   19   47 o  110.779   10.245   34.836   5.8987   34.290   9.7070   35.155   7.4274  109.375   16.424  112.183   12.252 -2.808205 20.49067 
1 1 1    7   19   48 o  168.417   7.4588   78.215   6.6849   81.871   10.497   75.721   8.6706  171.352   11.336  165.481   9.6965 5.870712 14.91752 
1 1 1    7   19   49 o  167.022   7.5731   79.196   6.6549   69.845   10.275   85.954   8.7347  157.688   12.058  176.355   9.1658 -18.66698 15.14618 
1 1 1    7   19   50 o   97.164   11.723   27.950   5.8527   27.771   9.3190   28.067   7.5210   95.269   18.770   99.060   14.050 -3.790726 23.44608 
1 1 1    7   19   51 o  144.008   8.3317   58.116   6.4030   59.908   9.9180   56.835   8.3843  145.483   12.616  142.532   10.886 2.951248 16.66339 
1 1 1    7   19   52 o   93.225   12.686   26.802   6.0931   24.614   9.6230   28.266   7.8722   87.797   20.633   98.654   14.767 -10.85627 25.37267 
1 1 1    7   19   53 o  264.130   6.4040  194.809   9.0862  186.353   13.414  201.979   12.351  258.334   9.6093  269.926   8.4680 -11.59213 12.80798 
1 1 1    7   19   54 o  169.967   8.0347   82.344   7.2897   84.062   11.248   81.101   9.5718  170.790   12.188  169.143   10.473 1.647003 16.06931 
1 1 1    7   19   55 o  123.160   10.546   45.760   6.7727   39.408   10.526   50.248   8.8476  114.080   17.074  132.240   12.382 -18.15994 21.09122 
1 1 1    7   19   56 o   61.109   15.430   10.474   6.4718   18.406   10.563   5.7065   8.1886   72.645   23.550   49.573   19.943 23.07206 30.85989 
1 1 1    7   19   57 f   74.610   15.171   20.988   6.6193   16.603   9.8940   24.541   8.9059   65.795   22.805   83.424   20.013 -17.62901 30.34128 
1 1 1    7   19   58 o   93.716   13.685   29.256   6.6246   31.184   10.292   27.892   8.6560   95.146   20.615   92.286   18.004 2.859314 27.36982 
1 1 1    7   19   59 o   56.560   15.426   9.9076   8.4483   20.627   10.291 -12.2455   14.794   71.524   23.249   41.597   20.281 29.92659 30.85153 
1 1 1    7   20    1 o  443.649   8.0425  527.571   18.156  547.523   31.802  517.923   22.114  449.701   13.087  437.597   9.3520 12.10349 16.08506 
1 1 1    7   20    2 o  790.530   11.642  1645.12   41.759  1784.69   89.049  1605.77   47.280  810.731   20.327  770.330   11.358 40.40076 23.28469 
1 1 1    7   20    3 o  615.142   8.2982  1023.21   27.583   0.0000   0.0000  1023.21   27.583  ?   ?   615.142   8.2982      ?      ? 
1 1 1    7   20    4 o  226.875   7.2758  139.157   8.9197   0.0000   0.0000  139.157   8.9197  ?   ?   226.875   7.2758      ?      ? 
1 1 1    7   20    5 o  859.994   10.847  2001.03   50.406   0.0000   0.0000  2001.03   50.406  ?   ?   859.994   10.847      ?      ? 
1 1 1    7   20    6 o  729.661   13.697  1441.68   54.004   0.0000   0.0000  1441.68   54.004  ?   ?   729.661   13.697      ?      ? 
1 1 1    7   20    7 o  231.054   12.301  144.503   15.358   0.0000   0.0000  144.503   15.358  ?   ?   231.054   12.301      ?      ? 
1 1 1    7   20    8 o  373.152   6.8636  376.428   13.840   0.0000   0.0000  376.428   13.840  ?   ?   373.152   6.8636      ?      ? 
1 1 1    7   20    9 o  150.575   9.8148   61.334   7.9858   0.0000   0.0000   61.334   7.9858  ?   ?   150.575   9.8148      ?      ? 
1 1 1    7   20   10 f  482.935   7.2898  630.584   19.024   0.0000   0.0000  630.584   19.024  ?   ?   482.935   7.2898      ?      ? 
1 1 1    7   20   11 o  535.584   7.6756  775.645   22.214   0.0000   0.0000  775.645   22.214  ?   ?   535.584   7.6756      ?      ? 
1 1 1    7   20   12 o  599.268   9.6620  971.536   31.288   0.0000   0.0000  971.536   31.288  ?   ?   599.268   9.6620      ?      ? 
1 1 1    7   20   13 o  426.728   8.2669  492.453   19.062   0.0000   0.0000  492.453   19.062  ?   ?   426.728   8.2669      ?      ? 
1 1 1    7   20   14 o  625.209   11.836  1059.70   39.974  1083.33   57.367  1037.39   55.733  631.974   16.799  618.444   16.677 13.52930 23.67121 
1 1 1    7   20   15 o  893.356   13.631  2169.84   62.051  2163.29  107.290  2173.14   76.062  891.519   22.271  895.193   15.724 -3.674255 27.26250 
1 1 1    7   20   16 o  782.706   19.966  1666.22   84.445  1666.22   84.445   0.0000   0.0000  782.706   19.966  ?   ?       ?      ? 
1 1 1    7   20   18 o  192.901   12.691  100.831   13.229   0.0000   0.0000  100.831   13.229  ?   ?   192.901   12.691      ?      ? 
1 1 1    7   20   22 o  687.133   9.0215  1278.50   33.455  1231.54   45.921  1331.61   48.838  673.748   12.613  700.519   12.902 -26.77142 18.04301 
1 1 1    7   20   23 o  124.337   15.371   42.037   10.328   0.0000   0.0000   42.037   10.328  ?   ?   124.337   15.371      ?      ? 
1 1 1    7   20   24 o  230.451   7.1169  144.085   8.8444  133.348   12.497  154.859   12.519  221.814   10.426  239.087   9.6901 -17.27240 14.23379 
1 1 1    7   20   25 o  320.557   6.4774  278.446   11.214  268.044   15.852  288.867   15.867  314.547   9.3263  326.567   8.9915 -12.02014 12.95482 
1 1 1    7   20   27 o  240.099   7.0116  156.459   9.0601  155.275   13.404  157.455   12.294  239.218   10.369  240.980   9.4411 -1.761719 14.02328 
1 1 1    7   20   28 o  147.350   15.109   63.363   10.956   51.554   17.925   70.405   13.842  134.157   25.661  160.544   15.956 -26.38701 30.21733 
1 1 1    7   20   29 o  453.960   9.9702  559.130   24.373  499.324   33.273  628.378   35.804  427.810   14.393  480.109   13.801 -52.29883 19.94047 
1 1 1    7   20   30 o  335.801   9.3518  309.643   16.846  275.676   24.316  340.991   23.360  317.742   14.162  353.861   12.217 -36.11838 18.70357 
1 1 1    7   20   31 o  492.470   10.307  660.782   27.355  599.324   37.394  731.531   40.121  467.854   14.791  517.085   14.359 -49.23029 20.61442 
1 1 1    7   20   32 o  212.844   8.3425  119.468   9.4185  103.091   12.000  145.743   15.200  194.526   11.416  231.162   12.168 -36.63625 16.68503 
1 1 1    7   20   33 o  167.991   7.9397   76.734   7.1323   77.987   10.941   75.808   9.4055  169.085   11.975  166.897   10.429 2.187622 15.87936 
1 1 1    7   20   34 o   38.083   12.344  -7.0298   6.0071 -14.1074   9.0279  -1.4064   8.0471   33.748   16.310   42.418   18.534 -8.669792 24.68859 
1 1 1    7   20   35 o   92.654   12.856   24.665   6.2267   21.851   9.4418   26.832   8.2834   86.692   20.481   98.615   15.544 -11.92346 25.71178 
1 1 1    7   20   36 o   80.028   13.376   19.055   6.0564   10.140   9.0813   26.195   8.1279   62.687   21.842   97.368   15.448 -34.68024 26.75281 
1 1 1    7   20   37 o  246.158   6.5115  166.096   8.5889  156.203   12.770  174.269   11.606  239.267   9.8769  253.048   8.4880 -13.78174 13.02305 
1 1 1    7   20   38 o  188.823   7.2174   98.360   7.2771   90.223   10.880  104.947   9.7889  181.493   11.094  196.152   9.2353 -14.65947 14.43482 
1 1 1    7   20   39 o  202.358   7.0742  113.695   7.6163   98.953   11.302  125.960   10.309  189.891   11.014  214.824   8.8806 -24.93306 14.14833 
1 1 1    7   20   40 o  136.868   8.9490   51.963   6.4837   50.581   10.169   52.909   8.4165  135.011   13.938  138.725   11.228 -3.714661 17.89792 
1 1 1    7   20   41 o  384.391   8.7883  403.828   18.254   0.0000   0.0000  403.828   18.254  ?   ?   384.391   8.7883      ?      ? 
1 1 1    7   20   42 o  176.905   7.5673   85.794   7.1113   88.407   11.197   84.028   9.2062  178.861   11.586  174.949   9.7382 3.911850 15.13463 
1 1 1    7   20   43 o  197.745   8.7954  107.169   9.3983   0.0000   0.0000  107.169   9.3983  ?   ?   197.745   8.7954      ?      ? 
1 1 1    7   20   44 o  161.066   10.703   73.487   7.6496   72.950   16.310   73.638   8.6612  158.619   19.029  163.512   9.8026 -4.892227 21.40546 
1 1 1    7   20   45 o  145.663   8.5806   58.447   6.5309   62.180   10.831   56.314   8.1865  148.732   13.477  142.594   10.624 6.137619 17.16123 
1 1 1    7   20   46 o  124.411   10.527   44.165   7.0423   40.783   10.175   47.275   9.7565  119.449   15.764  129.373   13.956 -9.924110 21.05429 
1 1 1    7   20   47 o   49.920   12.732  -3.0236   5.5500   16.536   9.1967 -14.2267   6.9603   72.894   21.720   26.945   13.292 45.94931 25.46413 
1 1 1    7   20   48 o  117.818   10.103   41.050   6.1089   34.003   9.7527   45.599   7.8368  108.021   16.708  127.614   11.365 -19.59251 20.20685 
1 1 1    7   20   49 o  132.316   9.3585   49.721   6.5749   50.102   10.295   49.458   8.5445  132.128   14.419  132.504   11.934 -0.3757019 18.71692 
1 1 1    7   20   50 o  104.654   11.562   32.225   6.1948   32.884   10.018   31.817   7.8824  103.854   18.531  105.454   13.833 -1.600632 23.12469 
1 1 1    7   20   51 o   79.639   14.151   20.691   6.0730   17.339   9.6593   22.883   7.8097   72.857   22.379   86.422   17.326 -13.56541 28.30216 
1 1 1    7   20   52 o   87.797   13.498   24.804   6.2837   19.987   9.6557   28.343   8.2759   77.641   22.007   97.953   15.636 -20.31124 26.99564 
1 1 1    7   20   53 o   51.728   13.331   0.8604   6.0906   17.880   9.3701 -11.5907   8.0146   72.474   21.999   30.982   15.065 41.49200 26.66256 
1 1 1    7   20   54 o  131.813   10.085   52.650   6.8641   40.722   10.444   61.721   9.1074  116.379   16.608  147.248   11.446 -30.86958 20.16987 
1 1 1    7   20   55 o   80.624   13.223   23.302   6.4856   7.5805   10.148   34.157   8.4322   54.225   22.063  107.022   14.581 -52.79708 26.44536 
1 1 1    7   20   56 o   60.321   15.362   13.107   6.3718   13.520   9.5777   12.778   8.5343   60.838   22.288   59.804   21.148 1.034225 30.72445 
1 1 1    7   20   57 o  108.473   16.472   36.822   8.8272   25.758   10.404   65.248   16.677   83.755   22.507  133.192   24.056 -49.43766 32.94318 
1 1 1    7   21    0 o  413.783   6.9487  462.906   15.531  446.784   21.671  479.931   22.270  406.378   9.8688  421.188   9.7847 -14.80994 13.89731 
1 1 1    7   21    1 o  672.643   10.742  1205.07   36.116  1281.98   65.808  1171.92   43.204  687.353   17.718  657.933   12.152 29.42053 21.48481 
1 1 1    7   21    2 o  398.119   7.7315  429.591   15.837  426.802   26.829  431.082   19.621  397.025   12.505  399.213   9.0953 -2.187622 15.46302 
1 1 1    7   21    3 f  302.456   6.8801  247.324   11.245   0.0000   0.0000  247.324   11.245  ?   ?   302.456   6.8801      ?      ? 
1 1 1    7   21    4 f  220.992   7.7471  132.060   9.2513   0.0000   0.0000  132.060   9.2513  ?   ?   220.992   7.7471      ?      ? 
1 1 1    7   21    5 o  274.545   7.1940  203.795   10.673   0.0000   0.0000  203.795   10.673  ?   ?   274.545   7.1940      ?      ? 
1 1 1    7   21    6 o  297.390   11.880  239.413   19.091   0.0000   0.0000  239.413   19.091  ?   ?   297.390   11.880      ?      ? 
1 1 1    7   21    7 o  184.864   11.237   92.494   11.225   0.0000   0.0000   92.494   11.225  ?   ?   184.864   11.237      ?      ? 
1 1 1    7   21    8 o  331.290   8.8964  296.862   15.926   0.0000   0.0000  296.862   15.926  ?   ?   331.290   8.8964      ?      ? 
1 1 1    7   21    9 o  360.549   6.9991  351.473   13.636   0.0000   0.0000  351.473   13.636  ?   ?   360.549   6.9991      ?      ? 
1 1 1    7   21   10 o  510.697   10.235  705.799   28.245   0.0000   0.0000  705.799   28.245  ?   ?   510.697   10.235      ?      ? 
1 1 1    7   21   11 f  413.935   10.773  463.827   24.098   0.0000   0.0000  463.827   24.098  ?   ?   413.935   10.773      ?      ? 
1 1 1    7   21   12 o  153.682   11.770   63.968   9.7741   0.0000   0.0000   63.968   9.7741  ?   ?   153.682   11.770      ?      ? 
1 1 1    7   21   14 o  856.539   13.306  1948.99   56.236  2107.66  105.187  1885.49   66.544  879.341   22.137  833.736   14.771 45.60504 26.61216 
1 1 1    7   21   15 o  322.762   7.6947  284.526   12.672  274.549   21.675  289.705   15.619  318.306   12.602  327.217   8.8332 -8.911224 15.38937 
1 1 1    7   21   16 o  242.182   8.7316  158.558   10.929  160.293   18.412  157.614   13.580  243.096   14.016  241.268   10.417 1.828979 17.46320 
1 1 1    7   21   17 o  254.873   7.3819  175.765   10.155  164.136   14.137  188.162   14.596  246.161   10.628  263.586   10.248 -17.42482 14.76370 
1 1 1    7   21   19 o  394.227   9.5149  420.905   20.269   0.0000   0.0000  420.905   20.269  ?   ?   394.227   9.5149      ?      ? 
1 1 1    7   21   20 o  120.314   11.883   39.395   7.7228   40.041   11.095   38.788   10.756  121.263   16.933  119.366   16.676 1.897949 23.76540 
1 1 1    7   21   21 f  695.465   12.883  1313.02   48.416   0.0000   0.0000  1313.02   48.416  ?   ?   695.465   12.883      ?      ? 
1 1 1    7   21   22 o  348.921   6.6828  329.859   12.598  329.061   17.986  330.628   17.650  348.496   9.5509  349.345   9.3500 -0.8490601 13.36565 
1 1 1    7   21   23 o  242.433   9.8828  166.780   11.395  144.977   21.380  175.430   13.467  230.474   17.167  254.393   9.7964 -23.91876 19.76556 
1 1 1    7   21   24 o  397.176   9.9542  431.047   21.283  397.522   30.562  462.613   29.656  381.967   14.807  412.385   13.308 -30.41864 19.90845 
1 1 1    7   21   25 o  243.143   11.197  165.502   14.333  132.658   21.257  192.883   19.409  220.113   17.872  266.174   13.494 -46.06042 22.39386 
1 1 1    7   21   26 o  325.942   9.7919  289.543   17.067  289.414   26.074  289.640   22.575  325.676   14.816  326.208   12.807 -0.5322876 19.58375 
1 1 1    7   21   27 o  743.292   13.774  1491.95   54.636  1347.97   70.790  1704.05   85.923  700.314   18.707  786.271   20.223 -85.95770 27.54837 
1 1 1    7   21   28 o  311.211   12.512  263.964   21.041   0.0000   0.0000  263.964   21.041  ?   ?   311.211   12.512      ?      ? 
1 1 1    7   21   29 o   48.209   14.442  -0.4872   6.7511  -5.6957   9.6577   4.4904   9.4411   42.279   19.244   54.139   21.538 -11.86023 28.88305 
1 1 1    7   21   30 o  349.661   8.9424  332.026   16.896   0.0000   0.0000  332.026   16.896  ?   ?   349.661   8.9424      ?      ? 
1 1 1    7   21   31 o  182.793   7.9768   90.882   7.8609   93.550   11.581   88.603   10.705  185.235   11.570  180.351   10.984 4.884445 15.95353 
1 1 1    7   21   32 o  331.343   6.4816  298.180   11.573  268.522   16.065  330.173   16.685  314.167   9.4631  348.519   8.8598 -34.35156 12.96326 
1 1 1    7   21   33 o  122.475   10.622   41.768   6.9320   38.104   10.420   44.676   9.2846  117.371   16.429  127.578   13.468 -10.20641 21.24397 
1 1 1    7   21   34 o  345.682   8.6828  325.167   16.219   0.0000   0.0000  325.167   16.219  ?   ?   345.682   8.6828      ?      ? 
1 1 1    7   21   35 o  277.053   6.4389  209.707   9.6044  200.763   14.010  217.638   13.192  271.348   9.5546  282.758   8.6342 -11.41000 12.87786 
1 1 1    7   21   36 o  184.475   7.4939   93.432   7.4082   90.102   11.103   96.104   9.9461  181.340   11.330  187.610   9.8109 -6.269669 14.98775 
1 1 1    7   21   37 o  216.229   8.9567  127.607   10.465   0.0000   0.0000  127.607   10.465  ?   ?   216.229   8.9567      ?      ? 
1 1 1    7   21   38 o  149.103   8.4848   61.170   6.7794   61.915   10.294   60.600   9.0091  149.723   12.723  148.482   11.228 1.241135 16.96951 
1 1 1    7   21   39 o  220.273   6.8903  133.771   8.1064  126.583   12.241  139.386   10.819  214.709   10.550  225.838   8.8654 -11.12930 13.78068 
1 1 1    7   21   40 o  139.890   9.1232   54.511   6.7656   53.166   10.568   55.445   8.8071  138.043   14.167  141.737   11.499 -3.693237 18.24634 
1 1 1    7   21   41 o   50.397   14.391   4.1540   5.9606   3.5797   9.5292   4.5231   7.6396   51.547   21.222   49.247   19.443 2.299892 28.78171 
1 1 1    7   21   42 o  116.047   10.410   36.488   6.3889   45.303   10.429   31.192   8.0834  126.678   15.235  105.415   14.191 21.26390 20.82000 
1 1 1    7   21   43 o  183.306   7.4932   94.668   7.2721   81.590   10.923  105.079   9.7459  171.203   11.807  195.410   9.2297 -24.20712 14.98647 
1 1 1    7   21   44 o  146.404   8.8888   62.214   6.7257   49.730   10.456   71.027   8.7844  132.520   14.601  160.288   10.142 -27.76834 17.77763 
1 1 1    7   21   45 o  162.285   12.123   82.760   8.1166   65.248   17.676   87.439   9.1367  146.648   22.307  177.923   9.5032 -31.27502 24.24648 
1 1 1    7   21   46 f  104.940   12.961   33.877   6.9525   25.852   10.341   40.495   9.3916   90.820   21.420  119.059   14.598 -28.23895 25.92126 
1 1 1    7   21   47 o   46.303   14.097   1.2583   6.3795  -0.1590   9.6623   2.3536   8.4941   45.963   20.190   46.642   19.679 -0.6789589 28.19424 
1 1 1    7   21   48 o  180.645   7.4945   90.697   7.2308   93.816   11.178   88.452   9.4819  182.900   11.310  178.391   9.8364 4.508453 14.98892 
1 1 1    7   21   49 o  169.950   10.299   80.766   9.4577   0.0000   0.0000   80.766   9.4577  ?   ?   169.950   10.299      ?      ? 
1 1 1    7   21   50 f  109.827   11.077   35.603   6.4147   34.295   10.092   36.489   8.3093  107.078   17.442  112.575   13.660 -5.496506 22.15384 
1 1 1    7   21   51 o  224.524   9.0612  140.900   10.993   0.0000   0.0000  140.900   10.993  ?   ?   224.524   9.0612      ?      ? 
1 1 1    7   21   52 o   55.181   14.544   6.9077   6.0713   15.370   9.5934   1.2537   7.8415   67.694   22.469   42.668   18.472 25.02599 29.08722 
1 1 1    7   21   53 o  170.466   8.4449   85.636   7.4991   66.060   11.180  101.645   10.111  150.684   13.731  190.248   9.8350 -39.56348 16.88987 
1 1 1    7   21   54 o   66.114   15.310   15.757   6.4257   12.705   10.011   17.895   8.3799   60.638   22.680   71.590   20.571 -10.95184 30.61956 
1 1 1    7   21   55 o   78.564   15.939   26.114   8.4312   33.341   9.9480   7.6869   15.885   99.832   19.137   57.297   25.494 42.53531 31.87743 
1 1 1    7   21   56 o  109.674   18.020   47.390   10.328   47.185   13.287   47.703   16.416  113.911   22.385  105.437   28.245 8.473495 36.03976 
1 1 1    7   22    0 o  331.347   7.2155  301.744   11.795  285.811   21.371  308.722   14.144  324.836   12.175  337.858   7.7473 -13.02136 14.43101 
1 1 1    7   22    1 o  432.593   7.7152  506.292   16.175  507.432   30.638  505.851   19.045  432.737   13.102  432.450   8.1501 0.2868347 15.43034 
1 1 1    7   22    2 o  108.877   13.057   32.123   7.6822   0.0000   0.0000   32.123   7.6822  ?   ?   108.877   13.057      ?      ? 
1 1 1    7   22    3 o  123.239   12.217   41.142   8.1355   0.0000   0.0000   41.142   8.1355  ?   ?   123.239   12.217      ?      ? 
1 1 1    7   22    4 o  123.943   11.876   41.609   7.9542   0.0000   0.0000   41.609   7.9542  ?   ?   123.943   11.876      ?      ? 
1 1 1    7   22    5 o  407.300   7.0599  448.618   15.538   0.0000   0.0000  448.618   15.538  ?   ?   407.300   7.0599      ?      ? 
1 1 1    7   22    6 o  106.243   14.313   30.610   8.2169   0.0000   0.0000   30.610   8.2169  ?   ?   106.243   14.313      ?      ? 
1 1 1    7   22    7 f  303.275   8.5496  248.833   14.011   0.0000   0.0000  248.833   14.011  ?   ?   303.275   8.5496      ?      ? 
1 1 1    7   22    8 o  177.694   9.2966   85.444   8.9265   0.0000   0.0000   85.444   8.9265  ?   ?   177.694   9.2966      ?      ? 
1 1 1    7   22    9 o  110.690   25.716   34.827   15.088   0.0000   0.0000   34.827   15.088  ?   ?   110.690   25.716      ?      ? 
1 1 1    7   22   10 o  342.751   6.8991  317.693   12.778   0.0000   0.0000  317.693   12.778  ?   ?   342.751   6.8991      ?      ? 
1 1 1    7   22   11 o  209.564   8.5218  118.831   9.6503   0.0000   0.0000  118.831   9.6503  ?   ?   209.564   8.5218      ?      ? 
1 1 1    7   22   13 o  501.319   8.6927  680.268   23.548   0.0000   0.0000  680.268   23.548  ?   ?   501.319   8.6927      ?      ? 
1 1 1    7   22   14 o  421.177   10.872  480.730   24.744   0.0000   0.0000  480.730   24.744  ?   ?   421.177   10.872      ?      ? 
1 1 1    7   22   15 o  509.267   8.8944  704.351   23.063  701.576   39.936  705.739   28.250  508.156   14.544  510.377   10.243 -2.221130 17.78888 
1 1 1    7   22   16 o  220.302   8.2526  127.934   9.0284  140.923   16.771  122.634   10.713  227.808   13.624  212.797   9.3168 15.01129 16.50528 
1 1 1    7   22   17 o  209.668   11.608  119.227   13.151   0.0000   0.0000  119.227   13.151  ?   ?   209.668   11.608      ?      ? 
1 1 1    7   22   18 o  273.497   9.9169  185.253   12.452  238.514   27.063  170.949   14.025  295.854   16.928  251.139   10.335 44.71579 19.83385 
1 1 1    7   22   19 o  269.679   11.451  200.093   16.505  170.045   23.703  228.378   22.997  249.631   17.572  289.728   14.689 -40.09711 22.90256 
1 1 1    7   22   20 o  169.985   14.884   77.711   13.311   86.194   21.879   72.725   16.773  176.960   22.880  163.009   19.042 13.95096 29.76724 
1 1 1    7   22   21 o   87.108   21.534   19.209   12.389   18.459   19.207   19.743   16.214   87.631   31.644   86.586   29.216 1.044136 43.06818 
1 1 1    7   22   22 o  347.545   10.402  330.398   19.376  279.730   27.164  382.883   27.647  320.109   15.704  374.981   13.644 -54.87183 20.80344 
1 1 1    7   22   23 o  284.593   10.682  225.310   16.087  193.266   24.201  250.676   21.532  265.763   16.852  303.424   13.132 -37.66153 21.36468 
1 1 1    7   22   24 o  255.691   14.248  178.378   19.686   0.0000   0.0000  178.378   19.686  ?   ?   255.691   14.248      ?      ? 
1 1 1    7   22   25 o  342.141   9.4818  317.805   17.530   0.0000   0.0000  317.805   17.530  ?   ?   342.141   9.4818      ?      ? 
1 1 1    7   22   27 o  152.692   9.2606   63.922   7.6111   58.741   10.916   68.824   10.618  146.559   13.783  158.825   12.372 -12.26611 18.52121 
1 1 1    7   22   28 o   98.893   13.889   28.090   7.1481   26.022   10.357   29.972   9.8779   95.066   20.744  102.720   18.475 -7.653877 27.77864 
1 1 1    7   22   29 o  234.241   9.6510  149.233   12.216   0.0000   0.0000  149.233   12.216  ?   ?   234.241   9.6510      ?      ? 
1 1 1    7   22   30 o   43.766   13.814  -3.4182   6.6563  -4.9260   9.8220  -2.1375   9.0520   43.307   19.592   44.224   19.481 -0.9172859 27.62878 
1 1 1    7   22   31 o  273.358   6.6527  203.585   9.8094  202.084   14.276  204.928   13.501  272.334   9.7011  274.381   9.1062 -2.046783 13.30544 
1 1 1    7   22   32 o  245.673   6.8557  165.052   9.0659  157.280   13.219  171.954   12.457  240.081   10.189  251.265   9.1750 -11.18416 13.71132 
1 1 1    7   22   33 o  227.241   7.0067  141.691   8.5545  128.550   12.349  153.816   11.862  216.908   10.536  237.574   9.2396 -20.66615 14.01331 
1 1 1    7   22   34 o   65.866   15.588   11.887   6.5394   10.309   9.9100   13.104   8.7032   63.760   22.763   67.972   21.303 -4.211861 31.17663 
1 1 1    7   22   35 o   98.801   13.349   30.141   6.7518   17.741   10.186   39.861   9.0177   77.602   22.791  120.000   13.907 -42.39821 26.69850 
1 1 1    7   22   36 o  224.575   6.9168  137.400   8.3397  143.613   12.638  132.607   11.099  228.919   10.217  220.231   9.3267 8.687592 13.83365 
1 1 1    7   22   37 f  119.571   10.406   39.354   6.6708   43.792   10.249   36.092   8.7866  125.240   15.145  113.902   14.276 11.33795 20.81281 
1 1 1    7   22   38 o   49.232   14.342   2.7804   6.2439  -0.7299   9.6570   5.3020   8.1848   46.615   20.338   51.849   20.228 -5.233753 28.68443 
1 1 1    7   22   39 o  155.561   8.4313   66.499   7.0044   70.653   10.891   63.568   9.1470  159.428   12.642  151.694   11.159 7.734497 16.86258 
1 1 1    7   22   40 o  220.465   6.9303  134.551   8.1634  127.394   12.309  140.171   10.907  214.863   10.602  226.067   8.9286 -11.20436 13.86066 
1 1 1    7   22   41 o   37.571   12.321  -6.1265   5.8828  -4.4921   9.0443  -7.3251   7.7450   40.668   18.555   34.474   16.215 6.193966 24.64139 
1 1 1    7   22   42 o  254.913   8.8144  178.610   12.141   0.0000   0.0000  178.610   12.141  ?   ?   254.913   8.8144      ?      ? 
1 1 1    7   22   43 o  169.220   8.0190   80.539   7.2172   74.328   10.958   85.297   9.5913  162.884   12.450  175.557   10.110 -12.67310 16.03800 
1 1 1    7   22   44 f  189.498   7.6981  101.459   7.6869   92.557   11.960  107.725   10.034  181.591   12.189  197.405   9.4061 -15.81439 15.39622 
1 1 1    7   22   45 o  198.594   11.644  133.378   9.8292   79.212   18.672  154.143   11.561  161.060   21.454  236.128   9.0604 -75.06827 23.28886 
1 1 1    7   22   46 o  148.108   15.852   83.983   8.5025   44.730   18.713   94.195   9.5447  112.016   30.219  184.201   9.5892 -72.18438 31.70382 
1 1 1    7   22   47 o   38.845   12.795  -6.3168   6.5366  -7.2090   9.6675  -5.5653   8.8720   39.121   18.309   38.569   17.878 0.5520897 25.58950 
1 1 1    7   22   48 o  160.915   8.5197   72.807   7.3347   78.350   11.341   68.822   9.6168  165.725   12.664  156.106   11.401 9.618774 17.03941 
1 1 1    7   22   49 o  166.560   8.2906   78.660   7.3165   79.173   11.528   78.314   9.4678  166.219   12.835  166.901   10.498 -0.6820831 16.58113 
1 1 1    7   22   50 o  157.136   8.8652   71.168   7.4251   72.979   11.524   69.883   9.7094  158.018   13.496  156.255   11.499 1.762238 17.73038 
1 1 1    7   22   51 o  120.323   11.107   43.036   7.1012   43.633   11.084   42.621   9.2488  119.997   17.093  120.649   14.186 -0.6524429 22.21346 
1 1 1    7   22   52 o   59.825   14.145   5.8180   6.5875   23.659   10.395  -6.1538   8.5155   83.252   22.550   36.398   17.082 46.85341 28.28957 
1 1 1    7   22   53 o  103.027   15.842   46.606   8.9307   57.007   10.674   22.333   16.306  135.991   14.525   70.064   28.158 65.92727 31.68351 
1 1 1    7   22   54 o   95.593   19.303   36.878   10.360   36.396   13.249   37.635   16.621   98.175   24.929   93.011   29.478 5.163620 38.60561 
1 1 1    7   22   55 o   67.764   18.643   20.055   9.7221   17.968   12.816   22.883   14.921   65.266   25.353   70.262   27.339 -4.995766 37.28576 
1 1 1    7   23    0 o  430.455   8.1219  504.360   18.090  493.919   30.154  510.230   22.610  426.779   13.076  434.132   9.6381 -7.352600 16.24381 
1 1 1    7   23    1 o  183.797   8.5429   92.628   7.8954   88.604   13.858   94.562   9.6071  180.697   14.193  186.897   9.5126 -6.200653 17.08583 
1 1 1    7   23    2 o  450.550   7.3068  549.106   17.789   0.0000   0.0000  549.106   17.789  ?   ?   450.550   7.3068      ?      ? 
1 1 1    7   23    3 o  128.786   11.447   44.945   7.9663   0.0000   0.0000   44.945   7.9663  ?   ?   128.786   11.447      ?      ? 
1 1 1    7   23    4 o  438.713   11.125  521.516   26.373   0.0000   0.0000  521.516   26.373  ?   ?   438.713   11.125      ?      ? 
1 1 1    7   23    5 o  553.632   8.0268  829.417   24.013   0.0000   0.0000  829.417   24.013  ?   ?   553.632   8.0268      ?      ? 
1 1 1    7   23    6 o  299.106   7.1682  242.026   11.586   0.0000   0.0000  242.026   11.586  ?   ?   299.106   7.1682      ?      ? 
1 1 1    7   23    7 o  511.503   11.537  709.295   31.887   0.0000   0.0000  709.295   31.887  ?   ?   511.503   11.537      ?      ? 
1 1 1    7   23    8 o  318.253   7.8262  274.093   13.459   0.0000   0.0000  274.093   13.459  ?   ?   318.253   7.8262      ?      ? 
1 1 1    7   23    9 o   60.118   20.355   9.1723   7.8710   0.0000   0.0000   9.1723   7.8710  ?   ?    60.118   20.355      ?      ? 
1 1 1    7   23   10 o  317.626   7.0762  272.946   12.145   0.0000   0.0000  272.946   12.145  ?   ?   317.626   7.0762      ?      ? 
1 1 1    7   23   11 o  215.295   14.576  125.968   16.958   0.0000   0.0000  125.968   16.958  ?   ?   215.295   14.576      ?      ? 
1 1 1    7   23   12 o  385.030   9.2664  401.516   19.279   0.0000   0.0000  401.516   19.279  ?   ?   385.030   9.2664      ?      ? 
1 1 1    7   23   14 o   87.463   20.128   21.751   9.3156   0.0000   0.0000   21.751   9.3156  ?   ?    87.463   20.128      ?      ? 
1 1 1    7   23   16 o  167.598   11.333   76.245   10.264   0.0000   0.0000   76.245   10.264  ?   ?   167.598   11.333      ?      ? 
1 1 1    7   23   17 o   49.391   20.245   2.3524   8.6254   0.0000   0.0000   2.3524   8.6254  ?   ?    49.391   20.245      ?      ? 
1 1 1    7   23   18 o  379.264   10.434  392.178   21.312  351.351   29.764  435.135   30.531  358.866   15.349  399.661   14.137 -40.79538 20.86711 
1 1 1    7   23   19 o  346.096   8.5470  306.078   14.752  278.211   17.409  377.027   27.779  320.184   10.062  372.008   13.819 -51.82404 17.09408 
1 1 1    7   23   21 o   69.281   16.487   12.095   7.5789   6.5811   10.882   17.290   10.562   60.228   23.371   78.333   23.261 -18.10501 32.97452 
1 1 1    7   23   23 o  186.549   8.2501   94.640   8.3080   91.134   11.438   98.556   12.087  182.910   11.573  190.188   11.761 -7.277191 16.50021 
1 1 1    7   23   24 o   74.516   14.524   13.400   7.4053  -1.9273   10.394   29.199   10.553   48.033   21.024  100.999   20.043 -52.96649 29.04715 
1 1 1    7   23   25 o  290.079   9.4423  228.657   14.801   0.0000   0.0000  228.657   14.801  ?   ?   290.079   9.4423      ?      ? 
1 1 1    7   23   26 o  384.935   9.4335  402.816   19.622   0.0000   0.0000  402.816   19.622  ?   ?   384.935   9.4335      ?      ? 
1 1 1    7   23   27 o  269.126   9.5884  197.083   13.944   0.0000   0.0000  197.083   13.944  ?   ?   269.126   9.5884      ?      ? 
1 1 1    7   23   28 o  269.090   9.3655  197.122   13.618   0.0000   0.0000  197.122   13.618  ?   ?   269.090   9.3655      ?      ? 
1 1 1    7   23   29 o  193.487   10.867  102.265   11.361   0.0000   0.0000  102.265   11.361  ?   ?   193.487   10.867      ?      ? 
1 1 1    7   23   30 o  139.275   9.8312   53.021   7.3676   60.253   10.910   46.959   9.9893  147.992   13.643  130.559   14.159 17.43269 19.66248 
1 1 1    7   23   31 o  191.435   8.0384  101.487   8.2165   89.286   12.072  112.018   11.215  180.355   12.387  202.515   10.248 -22.15974 16.07684 
1 1 1    7   23   32 o  267.806   9.0448  195.594   13.089   0.0000   0.0000  195.594   13.089  ?   ?   267.806   9.0448      ?      ? 
1 1 1    7   23   33 o  159.723   8.6561   70.447   7.4246   68.515   11.043   72.041   10.030  157.532   12.973  161.915   11.464 -4.382156 17.31214 
1 1 1    7   23   34 o  163.395   8.6714   74.735   7.5219   60.562   10.837   87.912   10.449  147.847   13.565  178.943   10.806 -31.09607 17.34271 
1 1 1    7   23   36 o  224.556   7.1125  138.944   8.5792  133.273   12.687  143.722   11.645  220.096   10.668  229.017   9.4102 -8.921036 14.22491 
1 1 1    7   23   37 o  188.223   7.7395   98.231   7.8186   93.227   11.565  102.444   10.611  183.518   11.662  192.928   10.178 -9.409607 15.47902 
1 1 1    7   23   38 o  164.473   8.2468   74.573   7.2917   78.754   10.988   71.284   9.7472  168.422   12.073  160.524   11.237 7.898026 16.49354 
1 1 1    7   23   39 o   55.679   14.506   6.8412   6.2241   0.0495   9.1994   12.575   8.4524   45.998   19.961   65.360   21.054 -19.36192 29.01212 
1 1 1    7   23   40 o  118.469   10.535   39.146   6.6884   46.206   10.221   33.859   8.8450  127.691   14.813  109.248   14.983 18.44315 21.06938 
1 1 1    7   23   41 o  140.885   9.3322   55.918   7.0509   54.830   10.572   56.789   9.4627  139.283   14.047  142.488   12.290 -3.204987 18.66447 
1 1 1    7   23   42 o  147.642   8.9210   61.473   7.0647   59.710   10.554   62.903   9.5096  145.329   13.439  149.955   11.736 -4.626099 17.84206 
1 1 1    7   23   43 o   85.907   14.041   22.997   6.3522   21.477   9.6890   24.143   8.4124   82.508   21.511   89.305   18.053 -6.797028 28.08239 
1 1 1    7   23   44 o   93.963   12.998   26.794   6.3676   25.601   9.8408   27.654   8.3516   90.334   20.615   97.592   15.837 -7.258522 25.99571 
1 1 1    7   23   45 o   64.219   14.715   12.517   6.3867   4.5491   9.8793   18.238   8.3712   52.129   21.550   76.309   20.043 -24.17951 29.42963 
1 1 1    7   23   46 o   52.973   16.584  -3.0218   7.5872   13.718   16.996  -7.1884   8.4790   69.978   28.521   35.969   16.933 34.00879 33.16829 
1 1 1    7   23   47 o   55.509   15.109   6.7395   6.3862   13.162   10.337   2.7745   8.1217   65.068   23.246   45.950   19.307 19.11805 30.21833 
1 1 1    7   23   48 o  113.063   13.070   39.773   7.6054   51.446   11.105   29.459   10.438  131.383   15.641   94.743   20.945 36.63992 26.14058 
1 1 1    7   23   49 o   79.111   14.638   21.985   6.7343   12.734   10.569   28.308   8.7376   63.081   23.361   95.141   17.645 -32.06031 29.27593 
1 1 1    7   23   50 o  100.896   18.494   31.924   9.7115   0.0000   0.0000   31.924   9.7115  ?   ?   100.896   18.494      ?      ? 
1 1 1    7   23   51 o  140.460   13.852   57.047   9.8272   45.028   11.635   86.959   18.356  119.291   18.050  161.628   21.017 -42.33787 27.70388 
1 1 1    7   23   52 o   97.194   18.714   40.635   10.555   46.959   13.634   31.171   16.677  113.142   23.081   81.246   29.463 31.89516 37.42773 
1 1 1    7   23   53 o   46.390   15.495  -4.6640   9.9932  -3.0068   12.603  -7.4707   16.401   45.277   21.095   47.502   22.702 -2.224621 30.98989 
1 1 1    7   23   54 o   41.356   14.283 -12.5053   10.132 -15.4527   13.084  -8.0901   16.014   37.660   18.508   45.051   21.760 -7.391640 28.56682 
1 1 1    7   24    0 o  233.632   8.2287  144.449   10.091  162.838   16.744  133.960   12.646  244.944   12.651  222.320   10.526 22.62408 16.45734 
1 1 1    7   24    2 o  374.189   9.9204  379.367   20.059   0.0000   0.0000  379.367   20.059  ?   ?   374.189   9.9204      ?      ? 
1 1 1    7   24    4 o  172.327   13.319   80.651   12.403   0.0000   0.0000   80.651   12.403  ?   ?   172.327   13.319      ?      ? 
1 1 1    7   24    6 o  118.635   17.618   38.384   11.294   0.0000   0.0000   38.384   11.294  ?   ?   118.635   17.618      ?      ? 
1 1 1    7   24    7 o  487.530   10.575  644.429   27.860   0.0000   0.0000  644.429   27.860  ?   ?   487.530   10.575      ?      ? 
1 1 1    7   24    8 o  171.560   12.756   79.942   11.826   0.0000   0.0000   79.942   11.826  ?   ?   171.560   12.756      ?      ? 
1 1 1    7   24    9 o  191.995   12.005  100.083   12.455   0.0000   0.0000  100.083   12.455  ?   ?   191.995   12.005      ?      ? 
1 1 1    7   24   12 o  127.841   13.767   44.488   9.5103   0.0000   0.0000   44.488   9.5103  ?   ?   127.841   13.767      ?      ? 
1 1 1    7   24   13 o  311.990   6.9406  263.514   11.701   0.0000   0.0000  263.514   11.701  ?   ?   311.990   6.9406      ?      ? 
1 1 1    7   24   14 o  270.062   7.1922  197.493   10.496   0.0000   0.0000  197.493   10.496  ?   ?   270.062   7.1922      ?      ? 
1 1 1    7   24   15 o  158.490   9.6189   68.150   8.2379   0.0000   0.0000   68.150   8.2379  ?   ?   158.490   9.6189      ?      ? 
1 1 1    7   24   16 o  235.010   7.6446  142.694   8.4841  165.338   17.301  135.525   9.7349  246.397   12.994  223.624   8.0561 22.77283 15.28911 
1 1 1    7   24   17 o  242.679   7.5976  152.343   8.6330  175.653   17.817  145.191   9.8688  253.905   12.986  231.454   7.8907 22.45100 15.19521 
1 1 1    7   24   18 o  130.323   10.366   40.357   6.4710   60.383   13.460   34.338   7.3798  148.363   16.790  112.284   12.163 36.07895 20.73254 
1 1 1    7   24   19 o  193.480   11.587  101.953   12.114  101.953   12.114   0.0000   0.0000  193.480   11.587  ?   ?       ?      ? 
1 1 1    7   24   20 o  180.617   8.5148   89.141   8.2920   83.791   11.856   94.263   11.601  175.234   12.521  186.000   11.543 -10.76620 17.02958 
1 1 1    7   24   21 o  208.893   11.464  118.889   12.940   0.0000   0.0000  118.889   12.940  ?   ?   208.893   11.464      ?      ? 
1 1 1    7   24   22 o  174.636   9.1253   83.260   8.6082   80.231   12.041   86.426   12.312  171.375   13.002  177.897   12.807 -6.521530 18.25055 
1 1 1    7   24   23 o  204.133   7.9500  113.452   8.7272   98.948   12.089  129.237   12.612  190.442   11.747  217.825   10.715 -27.38263 15.89994 
1 1 1    7   24   24 o   89.461   13.883   23.616   7.5798   3.6136   11.002   41.689   10.458   55.887   22.882  123.035   15.730 -67.14843 27.76661 
1 1 1    7   24   25 o   64.652   15.682   9.6341   7.0969   17.229   10.186   2.4694   9.8933   77.363   22.811   51.941   21.526 25.42204 31.36426 
1 1 1    7   24   26 o  130.822   10.771   47.270   7.6072   48.287   10.611   46.193   10.912  132.342   14.838  129.302   15.617 3.040817 21.54182 
1 1 1    7   24   27 o  120.272   12.004   40.417   7.7391   35.083   11.032   45.584   10.859  112.166   18.202  128.377   15.654 -16.21054 24.00745 
1 1 1    7   24   28 f  116.151   11.638   37.411   7.2791   41.806   10.495   33.337   10.105  122.837   15.811  109.465   17.083 13.37186 23.27662 
1 1 1    7   24   29 o  186.951   11.220   95.736   11.335   0.0000   0.0000   95.736   11.335  ?   ?   186.951   11.220      ?      ? 
1 1 1    7   24   30 o   79.342   15.764   18.598   7.0464   19.629   9.9232   17.549   10.008   81.423   22.022   77.261   22.562 4.161949 31.52827 
1 1 1    7   24   31 o  151.860   9.2471   63.711   7.5645   64.103   11.158   63.378   10.290  152.161   13.570  151.559   12.565 0.6011353 18.49417 
1 1 1    7   24   32 o  280.299   6.8076  215.307   10.278  194.186   14.445  236.959   14.626  266.202   10.042  294.396   9.1940 -28.19403 13.61520 
1 1 1    7   24   33 o  131.424   10.400   48.379   7.3521   44.925   10.639   51.537   10.172  126.674   15.543  136.174   13.823 -9.500397 20.80027 
1 1 1    7   24   34 o  152.560   9.2514   64.864   7.5988   61.576   11.037   67.828   10.478  148.656   13.739  156.464   12.393 -7.807861 18.50281 
1 1 1    7   24   35 o  156.714   8.9407   68.403   7.5581   65.412   10.839   71.233   10.545  153.214   13.092  160.214   12.180 -6.999176 17.88142 
1 1 1    7   24   36 o  180.080   8.0908   90.042   7.8425   86.584   11.468   93.080   10.749  176.597   12.017  183.563   10.837 -6.965729 16.18170 
1 1 1    7   24   37 o  184.040   8.0646   95.117   7.9111   85.002   11.773  103.446   10.683  174.526   12.483  193.553   10.214 -19.02704 16.12923 
1 1 1    7   24   38 o  114.608   11.474   37.451   7.0654   38.686   10.637   36.476   9.4514  115.996   16.971  113.220   15.448 2.775993 22.94891 
1 1 1    7   24   39 o  126.904   10.711   46.683   7.1803   40.037   10.804   51.942   9.6096  117.840   16.967  135.968   13.079 -18.12775 21.42294 
1 1 1    7   24   40 o   55.415   15.200   6.5138   6.5907   10.590   9.8155   3.1668   8.8938   61.894   22.580   48.937   20.356 12.95629 30.40058 
1 1 1    7   24   41 o   81.303   13.482   21.002   6.6870   6.3616   9.8757   33.399   9.0872   54.972   21.976  107.635   15.624 -52.66323 26.96423 
1 1 1    7   24   42 o   71.430   15.321   15.873   6.4291   18.741   9.6123   13.551   8.6483   76.640   22.035   66.220   21.293 10.41970 30.64163 
1 1 1    7   24   43 o   99.998   12.835   29.592   6.7486   35.446   10.199   25.034   9.0008  109.823   17.186   90.173   19.068 19.64968 25.67013 
1 1 1    7   24   44 o   73.020   15.550   17.164   6.6157   16.805   10.056   17.438   8.7842   72.139   22.936   73.901   21.005 -1.762405 31.10092 
1 1 1    7   24   45 o   46.011   14.006  -0.0039   6.4817   6.3626   9.7216  -5.0988   8.6967   53.764   21.694   38.258   17.722 15.50620 28.01255 
1 1 1    7   24   46 o   78.177   14.401   21.110   6.7321   9.9307   10.457   29.023   8.7979   59.309   22.940   97.046   17.417 -37.73733 28.80245 
1 1 1    7   24   47 o   43.270   14.737  -7.7929   7.7971  -8.7905   17.884  -7.5588   8.6640   51.017   24.188   35.523   16.840 15.49361 29.47310 
1 1 1    7   24   48 o   42.185   19.489  -4.5407   10.416  -4.5407   10.416   0.0000   0.0000   42.185   19.489  ?   ?       ?      ? 
1 1 1    7   24   49 o   52.723   23.131   3.1622   12.648   3.1622   12.648   0.0000   0.0000   52.723   23.131  ?   ?       ?      ? 
1 1 1    7   24   50 o   52.571   16.033   2.1815   9.8243   17.189   12.738 -19.8514   15.434   65.224   25.293   39.918   19.710 25.30604 32.06604 
1 1 1    7   24   51 o   55.295   17.291   6.1473   10.169   7.9730   13.200   3.4820   15.949   56.084   24.124   54.506   24.779 1.577217 34.58288 
1 1 1    7   24   52 o   72.342   17.111   21.541   7.8777   20.203   12.899   22.337   9.9483   68.565   25.725   76.119   22.569 -7.553627 34.22231 
1 1 1    7   25    1 f  258.483   9.3648  181.154   13.080   0.0000   0.0000  181.154   13.080  ?   ?   258.483   9.3648      ?      ? 
1 1 1    7   25    2 o  308.919   8.2057  258.542   13.698   0.0000   0.0000  258.542   13.698  ?   ?   308.919   8.2057      ?      ? 
1 1 1    7   25    3 o  271.286   7.3960  199.289   10.842   0.0000   0.0000  199.289   10.842  ?   ?   271.286   7.3960      ?      ? 
1 1 1    7   25    4 o  124.152   12.423   41.912   8.3343   0.0000   0.0000   41.912   8.3343  ?   ?   124.152   12.423      ?      ? 
1 1 1    7   25    5 f  152.598   10.411   63.201   8.5852   0.0000   0.0000   63.201   8.5852  ?   ?   152.598   10.411      ?      ? 
1 1 1    7   25    6 o   89.699   16.767   22.691   7.8282   0.0000   0.0000   22.691   7.8282  ?   ?    89.699   16.767      ?      ? 
1 1 1    7   25    7 o  150.288   10.253   61.305   8.3268   0.0000   0.0000   61.305   8.3268  ?   ?   150.288   10.253      ?      ? 
1 1 1    7   25    8 o  405.220   11.658  446.344   25.527   0.0000   0.0000  446.344   25.527  ?   ?   405.220   11.658      ?      ? 
1 1 1    7   25   10 o  179.612   10.477   87.616   10.169   0.0000   0.0000   87.616   10.169  ?   ?   179.612   10.477      ?      ? 
1 1 1    7   25   11 o  407.088   11.472  450.655   25.235   0.0000   0.0000  450.655   25.235  ?   ?   407.088   11.472      ?      ? 
1 1 1    7   25   12 o  432.919   8.7509  508.383   20.471   0.0000   0.0000  508.383   20.471  ?   ?   432.919   8.7509      ?      ? 
1 1 1    7   25   13 o  273.491   7.2863  202.680   10.768   0.0000   0.0000  202.680   10.768  ?   ?   273.491   7.2863      ?      ? 
1 1 1    7   25   14 o  119.052   12.372   38.641   7.9593   0.0000   0.0000   38.641   7.9593  ?   ?   119.052   12.372      ?      ? 
1 1 1    7   25   15 o  169.987   11.962   78.769   10.988   0.0000   0.0000   78.769   10.988  ?   ?   169.987   11.962      ?      ? 
1 1 1    7   25   16 o  257.809   7.7609  180.271   10.812   0.0000   0.0000  180.271   10.812  ?   ?   257.809   7.7609      ?      ? 
1 1 1    7   25   17 o  145.986   10.019   58.159   7.1034   58.694   13.410   57.951   8.3750  146.045   16.992  145.927   10.621 0.1175995 20.03830 
1 1 1    7   25   18 o  265.317   7.5674  187.636   10.151  202.883   18.162  180.709   12.241  272.668   12.327  257.966   8.7817 14.70221 15.13481 
1 1 1    7   25   19 o  446.601   7.8689  551.088   16.955  526.576   31.917  560.724   20.012  438.697   13.464  454.506   8.1483 -15.80865 15.73772 
1 1 1    7   25   20 o  127.223   11.141   44.669   7.6378   46.944   10.610   42.222   11.004  130.700   15.023  123.745   16.456 6.955345 22.28206 
1 1 1    7   25   21 o   89.528   15.704   23.310   7.6068   19.406   10.575   27.497   10.951   81.772   22.979   97.283   21.412 -15.51157 31.40814 
1 1 1    7   25   22 o   79.731   15.673   18.275   7.1948   12.571   10.077   24.207   10.276   68.356   23.032   91.106   21.262 -22.75060 31.34551 
1 1 1    7   25   23 o  254.576   10.169  176.807   13.989   0.0000   0.0000  176.807   13.989  ?   ?   254.576   10.169      ?      ? 
1 1 1    7   25   24 o  203.038   11.328  112.778   12.429   0.0000   0.0000  112.778   12.429  ?   ?   203.038   11.328      ?      ? 
1 1 1    7   25   25 o  272.348   7.0585  201.855   10.369  186.092   14.270  219.486   15.092  261.080   10.115  283.616   9.8477 -22.53564 14.11706 
1 1 1    7   25   26 o  174.566   11.961   83.624   11.283   0.0000   0.0000   83.624   11.283  ?   ?   174.566   11.961      ?      ? 
1 1 1    7   25   27 o  193.500   8.4113  103.220   8.7549   92.262   12.403  114.102   12.360  183.051   12.539  203.950   11.215 -20.89888 16.82266 
1 1 1    7   25   28 o   87.217   15.801   22.700   7.4662   22.775   10.988   22.637   10.176   87.219   22.989   87.215   21.685 0.3654480E-02 31.60261 
1 1 1    7   25   29 o  291.212   9.5408  232.029   15.014   0.0000   0.0000  232.029   15.014  ?   ?   291.212   9.5408      ?      ? 
1 1 1    7   25   30 o  114.419   11.794   36.832   7.2695   36.497   10.672   37.122   9.9291  113.747   17.363  115.092   15.965 -1.345322 23.58759 
1 1 1    7   25   31 o  198.965   10.908  108.962   11.728   0.0000   0.0000  108.962   11.728  ?   ?   198.965   10.908      ?      ? 
1 1 1    7   25   33 o  102.410   12.976   30.609   6.9968   33.979   9.8960   27.241   9.8939  109.330   16.751   95.491   19.823 13.83936 25.95257 
1 1 1    7   25   34 o  152.186   9.2615   64.666   7.6144   65.373   10.913   63.995   10.630  152.957   13.203  151.415   12.992 1.541992 18.52308 
1 1 1    7   25   35 o  213.296   7.5141  126.313   8.6267  120.286   12.570  131.679   11.860  208.203   11.173  218.388   10.050 -10.18578 15.02827 
1 1 1    7   25   36 o  166.945   8.6119   77.735   7.7510   78.733   11.382   76.872   10.585  167.775   12.554  166.114   11.792 1.661652 17.22388 
1 1 1    7   25   37 o  128.122   14.092   46.438   9.7561   0.0000   0.0000   46.438   9.7561  ?   ?   128.122   14.092      ?      ? 
1 1 1    7   25   38 o   95.472   13.281   29.244   6.8597   11.326   9.8184   46.331   9.5879   63.131   22.645  127.814   13.882 -64.68311 26.56162 
1 1 1    7   25   39 o   67.160   14.875   12.033   6.6973   23.070   10.005   3.0717   9.0149   85.492   21.639   48.828   20.418 36.66357 29.75076 
1 1 1    7   25   40 f  138.991   9.9049   54.683   7.3752   65.612   10.977   45.691   9.9573  151.863   13.377  126.119   14.611 25.74429 19.80970 
1 1 1    7   25   41 o   75.380   15.864   18.150   6.9274   18.404   10.214   17.933   9.4270   75.698   22.965   75.061   21.891 0.6361160 31.72768 
1 1 1    7   25   42 o  221.057   9.8238  136.128   11.735   0.0000   0.0000  136.128   11.735  ?   ?   221.057   9.8238      ?      ? 
1 1 1    7   25   43 o   53.118   15.075   5.6449   6.6799   9.8210   9.9430   2.2094   9.0182   59.293   22.509   46.943   20.059 12.34919 30.14998 
1 1 1    7   25   44 o   57.689   16.434   6.9948   8.7221   14.247   10.603  -8.1824   15.339   66.583   23.570   48.796   22.909 17.78774 32.86847 
1 1 1    7   25   45 o   74.243   17.306   17.686   9.9949   34.167   13.524  -2.1514   14.837   97.375   25.426   51.111   23.485 46.26416 34.61278 
1 1 1    7   25   46 o   39.588   13.729 -19.8438   9.8013 -16.4077   12.429 -25.4955   15.940   38.434   18.705   40.742   20.101 -2.307983 27.45797 
1 1 1    7   25   47 o  140.798   25.188   68.356   18.460   0.0000   0.0000   68.356   18.460  ?   ?   140.798   25.188      ?      ? 
1 1 1    7   25   48 o   38.861   19.409 -29.5270   16.735   0.0000   0.0000 -29.5270   16.735  ?   ?    38.861   19.409      ?      ? 
1 1 1    7   25   49 o   92.241   17.726   32.913   9.1329   37.207   13.026   28.761   12.809   99.432   24.420   85.050   25.699 14.38244 35.45138 
1 1 1    7   25   50 o   50.579   15.061   5.7474   7.0808   10.613   10.590   1.8136   9.5222   56.576   22.708   44.582   19.792 11.99477 30.12259 
1 1 1    7   26    0 o  495.138   10.284  666.106   27.515   0.0000   0.0000  666.106   27.515  ?   ?   495.138   10.284      ?      ? 
1 1 1    7   26    1 o  310.218   7.2866  260.748   12.215   0.0000   0.0000  260.748   12.215  ?   ?   310.218   7.2866      ?      ? 
1 1 1    7   26    2 f  330.912   7.1775  296.682   12.834   0.0000   0.0000  296.682   12.834  ?   ?   330.912   7.1775      ?      ? 
1 1 1    7   26    3 o  207.367   15.505  117.716   17.374   0.0000   0.0000  117.716   17.374  ?   ?   207.367   15.505      ?      ? 
1 1 1    7   26    4 o  465.649   8.4703  588.192   21.313   0.0000   0.0000  588.192   21.313  ?   ?   465.649   8.4703      ?      ? 
1 1 1    7   26    5 o  218.814   8.2647  129.870   9.7722   0.0000   0.0000  129.870   9.7722  ?   ?   218.814   8.2647      ?      ? 
1 1 1    7   26    6 o  120.761   12.348   39.759   8.0577   0.0000   0.0000   39.759   8.0577  ?   ?   120.761   12.348      ?      ? 
1 1 1    7   26    7 o  204.376   8.6246  113.368   9.5248   0.0000   0.0000  113.368   9.5248  ?   ?   204.376   8.6246      ?      ? 
1 1 1    7   26    8 o  167.592   14.253   76.853   12.907   0.0000   0.0000   76.853   12.907  ?   ?   167.592   14.253      ?      ? 
1 1 1    7   26    9 o  170.989   12.325   79.760   11.388   0.0000   0.0000   79.760   11.388  ?   ?   170.989   12.325      ?      ? 
1 1 1    7   26   10 o  196.112   9.1315  104.468   9.6769   0.0000   0.0000  104.468   9.6769  ?   ?   196.112   9.1315      ?      ? 
1 1 1    7   26   11 o  270.815   8.8479  199.148   12.948   0.0000   0.0000  199.148   12.948  ?   ?   270.815   8.8479      ?      ? 
1 1 1    7   26   12 o   86.676   17.208   21.380   7.7755   0.0000   0.0000   21.380   7.7755  ?   ?    86.676   17.208      ?      ? 
1 1 1    7   26   13 o  191.831   8.4970   99.905   8.8079   0.0000   0.0000   99.905   8.8079  ?   ?   191.831   8.4970      ?      ? 
1 1 1    7   26   14 o  220.034   8.0696  131.408   9.5947   0.0000   0.0000  131.408   9.5947  ?   ?   220.034   8.0696      ?      ? 
1 1 1    7   26   15 o  615.153   11.696  1032.85   38.878   0.0000   0.0000  1032.85   38.878  ?   ?   615.153   11.696      ?      ? 
1 1 1    7   26   16 o  139.633   10.390   53.133   7.8396   0.0000   0.0000   53.133   7.8396  ?   ?   139.633   10.390      ?      ? 
1 1 1    7   26   17 o   89.124   16.197   22.578   7.5132   0.0000   0.0000   22.578   7.5132  ?   ?    89.124   16.197      ?      ? 
1 1 1    7   26   18 o  163.482   8.9013   68.670   7.0592   83.829   13.923   63.425   8.1899  174.429   14.772  152.534   9.9363 21.89484 17.80253 
1 1 1    7   26   19 o  184.844   8.0243   92.582   7.3020   95.518   13.551   91.381   8.6680  186.442   13.451  183.247   8.7537 3.195267 16.04851 
1 1 1    7   26   20 o   48.779   15.222  -2.3918   7.8213  -3.8333   11.818  -1.2682   10.433   49.073   21.900   48.485   21.147 0.5880089 30.44365 
1 1 1    7   26   21 o   98.768   14.364   27.869   7.5543   19.977   10.345   36.886   11.057   82.516   22.556  115.020   17.790 -32.50423 28.72750 
1 1 1    7   26   22 o  366.110   9.6973  365.748   19.184   0.0000   0.0000  365.748   19.184  ?   ?   366.110   9.6973      ?      ? 
1 1 1    7   26   23 o  203.054   8.0452  113.049   8.8130  104.715   12.355  121.683   12.575  195.348   11.704  210.760   11.041 -15.41159 16.09045 
1 1 1    7   26   25 o  200.856   8.3425  110.881   9.0359  121.172   13.025  101.334   12.546  209.925   11.482  191.787   12.106 18.13725 16.68499 
1 1 1    7   26   26 o  265.128   9.8937  192.516   14.174   0.0000   0.0000  192.516   14.174  ?   ?   265.128   9.8937      ?      ? 
1 1 1    7   26   27 o   85.743   16.170   21.966   7.6668   25.784   11.180   18.576   10.534   92.592   22.554   78.893   23.179 13.69902 32.34072 
1 1 1    7   26   28 o  201.342   7.9826  111.673   8.6834  114.503   12.393  108.944   12.171  203.860   11.250  198.823   11.328 5.036911 15.96513 
1 1 1    7   26   29 o   80.360   15.664   19.392   7.4491   10.857   10.589   27.755   10.481   64.460   23.462   96.260   20.761 -31.80038 31.32812 
1 1 1    7   26   30 o  152.395   13.141   64.745   10.821   0.0000   0.0000   64.745   10.821  ?   ?   152.395   13.141      ?      ? 
1 1 1    7   26   31 o   81.479   15.769   20.339   7.2888   15.377   10.389   25.148   10.229   71.922   23.358   91.037   21.190 -19.11556 31.53742 
1 1 1    7   26   32 o  168.061   8.8765   78.835   8.0562   75.514   11.363   82.191   11.424  164.399   12.791  171.722   12.311 -7.323029 17.75305 
1 1 1    7   26   33 o  161.757   8.8614   72.843   7.6814   60.871   10.520   86.517   11.243  147.271   13.219  176.243   11.805 -28.97192 17.72281 
1 1 1    7   26   34 o   82.899   15.055   21.108   7.1490   30.421   10.229   12.217   9.9954  100.478   19.544   65.321   22.906 35.15662 30.11050 
1 1 1    7   26   35 o  106.117   12.732   33.385   7.0708   38.334   10.012   28.461   9.9871  115.526   16.038   96.707   19.779 18.81904 25.46397 
1 1 1    7   26   36 o  187.277   11.113   97.842   11.246   0.0000   0.0000   97.842   11.246  ?   ?   187.277   11.113      ?      ? 
1 1 1    7   26   37 o  123.674   15.015   43.943   10.034   0.0000   0.0000   43.943   10.034  ?   ?   123.674   15.015      ?      ? 
1 1 1    7   26   38 o  171.645   11.734   82.869   10.884   0.0000   0.0000   82.869   10.884  ?   ?   171.645   11.734      ?      ? 
1 1 1    7   26   39 o   80.251   15.341   20.309   7.1257   28.440   10.277   12.781   9.8888   95.381   20.546   65.120   22.786 30.26105 30.68170 
1 1 1    7   26   40 o  156.594   12.106   73.843   9.6053   76.905   11.913   68.153   16.239  163.940   13.448  149.248   20.135 14.69220 24.21286 
1 1 1    7   26   41 o   48.654   15.736  -3.5783   9.2525  -0.9423   12.027  -7.4009   14.483   49.067   21.981   48.241   22.522 0.8267288 31.47115 
1 1 1    7   26   42 o   63.606   17.777   11.291   9.3482   15.795   12.130   4.7050   14.669   69.396   25.134   57.816   25.148 11.57978 35.55489 
1 1 1    7   26   43 o   54.193   16.570   3.3866   9.4295   10.694   12.340  -6.8671   14.618   60.828   24.478   47.557   22.339 13.27030 33.13902 
1 1 1    7   26   44 o   94.988   18.637   33.945   10.206   39.324   13.199   25.946   16.094  107.673   23.357   82.304   29.049 25.36913 37.27468 
1 1 1    7   26   45 o  174.629   13.006   88.770   11.872   74.482   14.683  115.743   20.174  156.625   17.349  192.634   19.381 -36.00879 26.01140 
1 1 1    7   26   46 o   58.474   16.372   8.6568   7.8842   19.511   12.560   1.5983   10.128   70.919   25.592   46.029   20.424 24.88985 32.74305 
1 1 1    7   26   47 o   51.204   14.903   6.2044   7.0351  -0.3548   10.178   12.204   9.7346   43.504   19.785   58.903   22.294 -15.39854 29.80653 
1 1 1    7   26   48 o  135.781   16.982   70.889   9.5068   57.207   19.951   74.909   10.813  112.441   31.550  159.121   12.576 -46.68025 33.96440 
1 1 1    7   26   49 o  151.904   10.968   72.749   8.9462   66.970   11.866   80.360   13.618  145.617   15.080  158.191   15.931 -12.57494 21.93624 
1 1 1    7   27    1 o  145.685   15.287   58.233   12.035   0.0000   0.0000   58.233   12.035  ?   ?   145.685   15.287      ?      ? 
1 1 1    7   27    2 o  169.614   13.173   78.629   12.073   0.0000   0.0000   78.629   12.073  ?   ?   169.614   13.173      ?      ? 
1 1 1    7   27    3 o  149.873   14.872   61.593   12.044   0.0000   0.0000   61.593   12.044  ?   ?   149.873   14.872      ?      ? 
1 1 1    7   27    4 o  207.543   12.546  117.632   14.071   0.0000   0.0000  117.632   14.071  ?   ?   207.543   12.546      ?      ? 
1 1 1    7   27    5 o  189.544   9.8059   97.721   10.044   0.0000   0.0000   97.721   10.044  ?   ?   189.544   9.8059      ?      ? 
1 1 1    7   27    6 o  125.981   12.259   43.343   8.3457   0.0000   0.0000   43.343   8.3457  ?   ?   125.981   12.259      ?      ? 
1 1 1    7   27    7 o  285.810   10.803  222.605   16.685   0.0000   0.0000  222.605   16.685  ?   ?   285.810   10.803      ?      ? 
1 1 1    7   27    8 o   44.548   19.945  -3.8944   9.8862   0.0000   0.0000  -3.8944   9.8862  ?   ?    44.548   19.945      ?      ? 
1 1 1    7   27    9 o  125.280   16.018   43.267   10.844   0.0000   0.0000   43.267   10.844  ?   ?   125.280   16.018      ?      ? 
1 1 1    7   27   10 o  143.493   10.946   56.182   8.4871   0.0000   0.0000   56.182   8.4871  ?   ?   143.493   10.946      ?      ? 
1 1 1    7   27   11 o  124.367   11.425   42.260   7.6780   0.0000   0.0000   42.260   7.6780  ?   ?   124.367   11.425      ?      ? 
1 1 1    7   27   12 o  115.021   12.738   36.265   7.9170   0.0000   0.0000   36.265   7.9170  ?   ?   115.021   12.738      ?      ? 
1 1 1    7   27   13 o  113.736   12.526   35.458   7.6981   0.0000   0.0000   35.458   7.6981  ?   ?   113.736   12.526      ?      ? 
1 1 1    7   27   14 o   84.055   17.442   20.318   7.6625   0.0000   0.0000   20.318   7.6625  ?   ?    84.055   17.442      ?      ? 
1 1 1    7   27   15 f  157.439   19.089   69.340   16.240   0.0000   0.0000   69.340   16.240  ?   ?   157.439   19.089      ?      ? 
1 1 1    7   27   16 o  131.510   11.045   47.297   7.8489   0.0000   0.0000   47.297   7.8489  ?   ?   131.510   11.045      ?      ? 
1 1 1    7   27   17 o  245.995   7.8391  164.534   10.420   0.0000   0.0000  164.534   10.420  ?   ?   245.995   7.8391      ?      ? 
1 1 1    7   27   18 o  298.278   7.4038  246.207   11.388  232.883   18.926  253.768   14.257  291.317   12.023  305.238   8.6439 -13.92099 14.80767 
1 1 1    7   27   19 o  207.124   7.7483  115.040   7.8770  123.513   14.829  111.709   9.2971  211.758   12.960  202.490   8.4968 9.267685 15.49658 
1 1 1    7   27   20 o  272.198   7.4526  206.749   9.6739  194.775   18.461  211.282   11.358  265.750   12.855  278.647   7.5435 -12.89761 14.90517 
1 1 1    7   27   21 o  213.954   13.105  126.509   15.151  126.509   15.151   0.0000   0.0000  213.954   13.105  ?   ?       ?      ? 
1 1 1    7   27   22 o  209.188   8.0370  120.385   9.0810  123.745   12.801  116.981   12.885  212.192   11.164  206.184   11.565 6.008118 16.07407 
1 1 1    7   27   23 o  138.078   11.110   53.259   8.2834   55.508   11.988   51.203   11.459  140.852   15.750  135.303   15.673 5.549530 22.21959 
1 1 1    7   27   24 o  316.362   7.0830  274.877   12.090  263.541   17.329  285.628   16.876  309.840   10.350  322.885   9.6722 -13.04541 14.16593 
1 1 1    7   27   25 o  172.718   12.968   82.776   12.103   82.776   12.103   0.0000   0.0000  172.718   12.968  ?   ?       ?      ? 
1 1 1    7   27   26 o   91.274   15.111   25.129   7.3190   24.131   10.163   26.204   10.549   89.378   21.338   93.171   21.403 -3.793167 30.22252 
1 1 1    7   27   27 f   64.323   13.654   4.5263   7.1462 -13.8826   9.6878   26.500   10.584   35.126   16.956   93.520   21.407 -58.39410 27.30869 
1 1 1    7   27   28 o   89.698   15.481   24.545   7.4174   24.311   10.059   24.823   10.982   89.503   21.136   89.893   22.625 -0.3902817 30.96103 
1 1 1    7   27   29 o   89.995   15.402   24.682   7.3912   22.507   9.9774   27.328   11.003   85.663   21.568   94.326   21.993 -8.663521 30.80371 
1 1 1    7   27   30 o  169.980   9.2172   80.997   8.4642   80.747   12.089   81.238   11.855  169.651   13.187  170.310   12.882 -0.6590729 18.43439 
1 1 1    7   27   31 o   43.334   13.975  -5.2022   7.3043  -8.5275   10.195  -1.6951   10.470   39.939   18.727   46.730   20.749 -6.790833 27.95034 
1 1 1    7   27   32 o   69.909   16.268   14.826   7.0991   15.283   9.4802   14.243   10.712   70.687   22.247   69.132   23.742 1.555054 32.53614 
1 1 1    7   27   33 o  181.997   16.792   95.968   16.514   0.0000   0.0000   95.968   16.514  ?   ?   181.997   16.792      ?      ? 
1 1 1    7   27   34 o   97.123   16.905   30.800   8.6631   32.235   10.933   28.378   14.202  102.181   20.513   92.065   26.875 10.11514 33.80910 
1 1 1    7   27   35 o   96.616   17.262   30.214   8.8485   28.874   11.297   32.342   14.233   95.128   22.355   98.104   26.308 -2.975464 34.52327 
1 1 1    7   27   36 o   76.178   18.249   17.574   8.9967   11.707   11.621   26.351   14.214   64.468   24.368   87.887   27.172 -23.41950 36.49821 
1 1 1    7   27   37 o  154.076   12.385   67.862   10.084   59.955   12.744   81.104   16.492  143.214   16.468  164.937   18.504 -21.72292 24.77094 
1 1 1    7   27   38 o   75.726   18.689   19.132   9.2878   18.914   11.922   19.468   14.814   75.342   25.049   76.109   27.743 -0.7668839 37.37843 
1 1 1    7   27   39 o   51.926   16.436  -0.2028   9.4102   0.9153   12.300  -1.7811   14.613   51.291   22.646   52.561   23.827 -1.269169 32.87139 
1 1 1    7   27   40 o   73.887   17.709   13.653   9.4229   0.4759   11.976   35.068   15.267   49.802   22.149   97.973   27.638 -48.17044 35.41779 
1 1 1    7   27   41 o   53.191   15.068  -0.8565   7.8228   18.354   11.894 -15.5027   10.385   71.958   25.001   34.424   16.828 37.53380 30.13667 
1 1 1    7   27   42 o   36.458   12.420 -11.8758   7.2625 -12.7871   10.538 -11.0515   10.023   36.495   17.634   36.422   17.496 0.7306290E-01 24.84074 
1 1 1    7   27   43 o   70.752   23.479   16.968   10.476   0.0000   0.0000   16.968   10.476  ?   ?    70.752   23.479      ?      ? 
1 1 1    7   27   44 o  128.349   11.732   52.035   7.9584   42.535   11.507   60.747   11.019  114.805   18.548  141.892   14.371 -27.08714 23.46423 
1 1 1    7   27   45 o  101.902   14.427   36.110   7.6659   39.131   10.946   33.201   10.740  107.053   19.645   96.752   21.134 10.30123 28.85451 
1 1 1    7   27   46 o   56.442   15.746   10.147   7.0812   9.9060   10.053   10.384   9.9760   56.107   22.255   56.777   22.281 -0.6705132 31.49165 
1 1 1    7   27   47 o   42.994   14.661  -5.4279   8.7665 -11.7703   18.987  -3.7096   9.8829   46.654   22.796   39.334   18.442 7.319778 29.32148 
1 1 1    7   28    0 o   55.958   19.711   7.8332   7.4062   0.0000   0.0000   7.8332   7.4062  ?   ?    55.958   19.711      ?      ? 
1 1 1    7   28    1 o  206.475   8.5561  115.966   9.5462   0.0000   0.0000  115.966   9.5462  ?   ?   206.475   8.5561      ?      ? 
1 1 1    7   28    2 o  174.757   9.3852   83.191   8.8628   0.0000   0.0000   83.191   8.8628  ?   ?   174.757   9.3852      ?      ? 
1 1 1    7   28    3 o   50.084   19.580   4.4763   7.6815   0.0000   0.0000   4.4763   7.6815  ?   ?    50.084   19.580      ?      ? 
1 1 1    7   28    4 o  322.327   9.0366  282.868   15.739   0.0000   0.0000  282.868   15.739  ?   ?   322.327   9.0366      ?      ? 
1 1 1    7   28    5 o   56.167   22.819   4.2633   10.836   0.0000   0.0000   4.2633   10.836  ?   ?    56.167   22.819      ?      ? 
1 1 1    7   28    6 o   44.574   20.456  -7.2437   11.208   0.0000   0.0000  -7.2437   11.208  ?   ?    44.574   20.456      ?      ? 
1 1 1    7   28    7 o   93.181   23.208   25.605   11.642   0.0000   0.0000   25.605   11.642  ?   ?    93.181   23.208      ?      ? 
1 1 1    7   28    8 o  120.839   19.107   40.872   12.477   0.0000   0.0000   40.872   12.477  ?   ?   120.839   19.107      ?      ? 
1 1 1    7   28    9 o  195.203   13.187  104.744   13.910   0.0000   0.0000  104.744   13.910  ?   ?   195.203   13.187      ?      ? 
1 1 1    7   28   10 o  144.297   15.921   57.713   12.414   0.0000   0.0000   57.713   12.414  ?   ?   144.297   15.921      ?      ? 
1 1 1    7   28   12 o   83.252   25.137   20.335   12.258   0.0000   0.0000   20.335   12.258  ?   ?    83.252   25.137      ?      ? 
1 1 1    7   28   13 o  175.232   14.263   84.874   13.505   0.0000   0.0000   84.874   13.505  ?   ?   175.232   14.263      ?      ? 
1 1 1    7   28   14 o  263.123   11.331  189.938   16.111   0.0000   0.0000  189.938   16.111  ?   ?   263.123   11.331      ?      ? 
1 1 1    7   28   15 o   79.787   25.212   18.641   12.165   0.0000   0.0000   18.641   12.165  ?   ?    79.787   25.212      ?      ? 
1 1 1    7   28   16 o   65.043   24.047   10.360   11.190   0.0000   0.0000   10.360   11.190  ?   ?    65.043   24.047      ?      ? 
1 1 1    7   28   17 f  154.669   15.209   66.679   12.712   0.0000   0.0000   66.679   12.712  ?   ?   154.669   15.209      ?      ? 
1 1 1    7   28   19 o  264.286   9.1079  193.625   12.966  198.784   17.800  187.793   18.926  268.328   12.276  260.244   13.458 8.084747 18.21588 
1 1 1    7   28   20 o  196.565   10.532  108.526   11.103  114.978   15.127  100.991   16.349  203.401   13.763  189.728   15.946 13.67342 21.06454 
1 1 1    7   28   21 o  261.978   9.2167  189.188   12.916  181.779   16.961  199.414   19.926  256.322   12.246  267.634   13.778 -11.31155 18.43345 
1 1 1    7   28   22 o   60.538   17.150   6.9673   8.4928   8.7477   10.937   4.2635   13.478   61.526   23.548   59.551   24.939 1.974903 34.29915 
1 1 1    7   28   23 o  159.573   12.001   74.582   9.9499   92.995   13.715   54.122   14.457  182.320   13.921  136.827   19.553 45.49335 24.00253 
1 1 1    7   28   24 o   72.201   17.402   14.531   8.7898   22.284   11.840   5.0113   13.120   84.840   24.474   59.563   24.745 25.27628 34.80342 
1 1 1    7   28   25 o  211.771   10.026  125.661   11.438  122.297   15.498  129.685   16.952  208.918   13.728  214.623   14.617 -5.705383 20.05290 
1 1 1    7   28   26 o  135.248   14.253   55.311   9.8668   62.297   13.207   46.486   14.843  147.607   16.558  122.888   23.203 24.71899 28.50565 
1 1 1    7   28   27 o   78.411   18.229   19.106   8.8551   19.529   11.412   18.466   14.037   79.089   24.330   77.733   27.152 1.355537 36.45773 
1 1 1    7   28   28 o   64.077   17.448   10.103   8.2577   9.8356   10.250   10.597   13.939   61.529   22.962   66.625   26.276 -5.096733 34.89512 
1 1 1    7   28   29 o   94.308   17.526   27.849   8.7886   25.901   10.989   31.306   14.640   90.934   22.489   97.682   26.887 -6.747978 35.05239 
1 1 1    7   28   30 o   58.215   15.899   5.4584   8.3850   15.658   10.544 -12.0901   13.830   71.285   23.550   45.145   21.366 26.13943 31.79795 
1 1 1    7   28   31 o   91.939   17.855   26.261   9.4070   16.851   12.286   39.595   14.625   73.473   25.416  110.405   25.084 -36.93115 35.70982 
1 1 1    7   28   32 f   88.252   17.861   26.624   9.2042   31.329   11.789   19.277   14.731   99.190   22.510   77.313   27.737 21.87696 35.72161 
1 1 1    7   28   33 o   59.385   16.971   5.7208   8.4554  -0.0323   10.770   14.964   13.651   48.272   21.258   70.497   26.462 -22.22546 33.94277 
1 1 1    7   28   34 o   94.704   16.114   28.320   8.1704   35.698   12.367   22.604   10.884  105.964   22.304   83.443   23.265 22.52126 32.22872 
1 1 1    7   28   35 o   64.044   16.601   11.814   7.6096   15.500   10.999   8.4302   10.539   69.866   24.055   58.222   22.884 11.64436 33.20111 
1 1 1    7   28   36 o  101.479   14.805   32.893   7.8445   31.493   11.278   34.205   10.918   98.738   21.728  104.220   20.116 -5.482536 29.60966 
1 1 1    7   28   37 o   97.415   14.888   30.558   7.6105   32.690   10.639   28.324   10.891  101.700   20.072   93.130   21.994 8.570267 29.77585 
1 1 1    7   28   38 f   74.424   16.510   19.033   7.4104   20.660   10.538   17.441   10.422   77.416   23.292   71.432   23.405 5.984901 33.01981 
1 1 1    7   28   39 o   83.241   16.672   24.187   7.8324   25.279   11.383   23.205   10.794   84.841   23.840   81.642   23.312 3.198250 33.34390 
1 1 1    7   28   40 o   60.567   16.032   9.9217   7.6316   2.0268   10.878   17.573   10.709   49.353   21.557   71.781   23.735 -22.42752 32.06369 
1 1 1    7   28   41 f  124.106   12.872   48.423   8.0799   34.705   11.391   62.314   11.463  102.779   21.214  145.433   14.586 -42.65429 25.74441 
1 1 1    7   28   42 o  132.737   11.094   54.753   7.9532   53.514   11.314   55.962   11.182  130.913   15.994  134.560   15.378 -3.646851 22.18780 
1 1 1    7   28   43 o  137.627   10.800   58.725   8.0088   54.847   11.412   62.489   11.243  132.340   15.958  142.914   14.558 -10.57405 21.60047 
1 1 1    7   28   44 o   95.411   19.216   35.733   9.4729   41.667   19.981   34.013   10.759   91.577   32.362   99.245   20.730 -7.668587 38.43256 
1 1 1    7   28   45 o   74.276   19.228   27.242   11.273   14.662   19.062   34.009   13.980   60.943   27.457   87.609   26.925 -26.66658 38.45560 
1 1 1    7   29    0 o  441.265   7.4660  529.437   17.802   0.0000   0.0000  529.437   17.802  ?   ?   441.265   7.4660      ?      ? 
1 1 1    7   29    1 o  226.594   7.9693  139.738   9.7579   0.0000   0.0000  139.738   9.7579  ?   ?   226.594   7.9693      ?      ? 
1 1 1    7   29    2 o  124.685   12.249   42.735   8.2528   0.0000   0.0000   42.735   8.2528  ?   ?   124.685   12.249      ?      ? 
1 1 1    7   29    3 o  119.020   12.331   38.958   7.9305   0.0000   0.0000   38.958   7.9305  ?   ?   119.020   12.331      ?      ? 
1 1 1    7   29    4 o   49.424   19.263   4.5556   7.4169   0.0000   0.0000   4.5556   7.4169  ?   ?    49.424   19.263      ?      ? 
1 1 1    7   29    5 o   68.493   24.686   12.060   11.681   0.0000   0.0000   12.060   11.681  ?   ?    68.493   24.686      ?      ? 
1 1 1    7   29    6 o  154.582   13.884   66.122   11.597   0.0000   0.0000   66.122   11.597  ?   ?   154.582   13.884      ?      ? 
1 1 1    7   29    7 o  166.879   9.5492   76.123   8.6110   0.0000   0.0000   76.123   8.6110  ?   ?   166.879   9.5492      ?      ? 
1 1 1    7   29    8 o  228.684   8.5711  142.659   10.592   0.0000   0.0000  142.659   10.592  ?   ?   228.684   8.5711      ?      ? 
1 1 1    7   29    9 o   80.788   18.050   19.067   7.6810   0.0000   0.0000   19.067   7.6810  ?   ?    80.788   18.050      ?      ? 
1 1 1    7   29   10 o  187.972   8.8761   96.490   9.0157   0.0000   0.0000   96.490   9.0157  ?   ?   187.972   8.8761      ?      ? 
1 1 1    7   29   11 o  151.695   10.186   63.067   8.3500   0.0000   0.0000   63.067   8.3500  ?   ?   151.695   10.186      ?      ? 
1 1 1    7   29   12 o  121.165   12.285   40.510   8.0434   0.0000   0.0000   40.510   8.0434  ?   ?   121.165   12.285      ?      ? 
1 1 1    7   29   13 o   99.669   15.224   27.738   8.1994   0.0000   0.0000   27.738   8.1994  ?   ?    99.669   15.224      ?      ? 
1 1 1    7   29   14 o   56.531   19.322   8.5716   7.0929   0.0000   0.0000   8.5716   7.0929  ?   ?    56.531   19.322      ?      ? 
1 1 1    7   29   15 o   68.456   19.518   13.776   7.5722   0.0000   0.0000   13.776   7.5722  ?   ?    68.456   19.518      ?      ? 
1 1 1    7   29   16 o   50.366   19.454   5.1900   7.5122   0.0000   0.0000   5.1900   7.5122  ?   ?    50.366   19.454      ?      ? 
1 1 1    7   29   17 f  199.554   8.9449  109.063   9.6455   0.0000   0.0000  109.063   9.6455  ?   ?   199.554   8.9449      ?      ? 
1 1 1    7   29   18 o   58.298   19.705   9.4074   7.3762   0.0000   0.0000   9.4074   7.3762  ?   ?    58.298   19.705      ?      ? 
1 1 1    7   29   19 o  165.246   9.4973   75.011   8.4805   0.0000   0.0000   75.011   8.4805  ?   ?   165.246   9.4973      ?      ? 
1 1 1    7   29   20 o   66.913   16.131   11.792   6.4775   16.088   12.106   10.069   7.6676   73.964   25.243   59.863   20.092 14.10116 32.26261 
1 1 1    7   29   21 o   56.717   15.635   4.4296   6.4228   13.840   12.253   0.8645   7.5419   70.245   25.287   43.189   18.396 27.05630 31.27062 
1 1 1    7   29   22 o  157.695   8.9097   65.374   7.1020   81.239   13.027   58.666   8.4715  169.813   14.197  145.576   10.769 24.23657 17.81946 
1 1 1    7   29   23 o  100.435   15.160   30.890   7.9766   31.959   11.409   29.868   11.156  102.224   21.344   98.645   21.533 3.578873 30.31902 
1 1 1    7   29   24 o   63.622   16.629   10.088   7.6684   5.9651   10.283   15.253   11.510   55.711   22.371   71.533   24.609 -15.82239 33.25711 
1 1 1    7   29   25 o   87.643   16.100   24.054   7.6804   23.976   10.488   24.145   11.279   87.751   22.124   87.536   23.396 0.2148743 32.19961 
1 1 1    7   29   26 o   58.811   15.265   6.0682   7.5619   17.368   10.258  -7.3824   11.191   74.632   23.084   42.990   19.979 31.64282 30.52957 
1 1 1    7   29   27 o  148.123   10.633   63.209   8.4282   71.568   11.790   54.472   12.053  158.897   13.731  137.349   16.240 21.54797 21.26677 
1 1 1    7   29   28 o   62.810   16.792   10.524   7.8440   8.4725   11.027   12.625   11.161   59.583   23.411   66.037   24.079 -6.453892 33.58404 
1 1 1    7   29   29 o  109.970   14.318   37.379   8.2064   46.326   11.635   28.522   11.576  125.731   17.126   94.210   22.951 31.52066 28.63644 
1 1 1    7   29   30 o  204.196   12.026  117.526   13.270   0.0000   0.0000  117.526   13.270  ?   ?   204.196   12.026      ?      ? 
1 1 1    7   29   31 o  105.608   14.019   34.412   7.7022   35.198   10.760   33.585   11.031  107.219   19.280  103.996   20.357 3.223351 28.03821 
1 1 1    7   29   32 o   80.631   16.446   20.836   7.9432   12.862   10.972   29.617   11.514   65.543   23.879   95.719   22.619 -30.17542 32.89109 
1 1 1    7   29   33 o  106.576   14.639   37.054   8.1105   47.546   11.104   25.055   11.875  127.029   16.176   86.122   24.403 40.90752 29.27774 
1 1 1    7   29   34 o   65.714   14.913   10.078   7.6171   26.086   10.796  -5.7877   10.748   89.078   22.440   42.350   19.647 46.72829 29.82535 
1 1 1    7   29   35 o  112.592   13.642   40.735   7.8254   47.802   10.517   31.971   11.713  127.260   15.294   97.924   22.595 29.33621 27.28401 
1 1 1    7   29   36 o   47.033   14.713   0.8640   7.3748  -0.2721   10.199   2.1087   10.676   45.380   20.292   48.686   21.309 -3.306511 29.42518 
1 1 1    7   29   37 o  122.676   12.163   45.315   8.0219   40.094   10.784   51.783   12.003  114.680   17.402  130.671   16.999 -15.99101 24.32685 
1 1 1    7   29   38 o   99.797   21.439   32.683   11.217   0.0000   0.0000   32.683   11.217  ?   ?    99.797   21.439      ?      ? 
1 1 1    7   29   39 o  103.504   14.683   35.426   7.9213   35.501   10.995   35.344   11.422  104.058   20.282  102.949   21.237 1.108902 29.36655 
1 1 1    7   29   40 o  128.852   12.714   54.943   8.4242   43.816   11.925   66.030   11.903  112.110   20.437  145.594   15.129 -33.48365 25.42768 
1 1 1    7   29   41 o   87.191   21.394   34.329   12.223   39.414   18.645   30.495   16.187   91.412   31.327   82.969   29.146 8.442825 42.78878 
1 1 1    7   29   42 o   72.359   20.809   23.443   12.400   30.428   20.395   19.347   15.618   76.914   31.283   67.803   27.449 9.111504 41.61840 
1 1 1    7   29   43 o   59.263   18.363   13.362   11.309   8.8896   19.253   15.718   13.973   56.953   26.377   61.573   25.555 -4.619984 36.72617 
1 1 1    7   30    0 o  156.293   10.420   67.044   8.8002   0.0000   0.0000   67.044   8.8002  ?   ?   156.293   10.420      ?      ? 
1 1 1    7   30    1 o   89.406   17.349   23.224   8.0794   0.0000   0.0000   23.224   8.0794  ?   ?    89.406   17.349      ?      ? 
1 1 1    7   30    2 o   87.414   17.733   22.287   8.0900   0.0000   0.0000   22.287   8.0900  ?   ?    87.414   17.733      ?      ? 
1 1 1    7   30    3 f  286.112   13.835  227.429   21.389   0.0000   0.0000  227.429   21.389  ?   ?   286.112   13.835      ?      ? 
1 1 1    7   30    4 o   98.352   22.527   29.081   11.715   0.0000   0.0000   29.081   11.715  ?   ?    98.352   22.527      ?      ? 
1 1 1    7   30    5 o  149.342   23.483   65.274   18.951   0.0000   0.0000   65.274   18.951  ?   ?   149.342   23.483      ?      ? 
1 1 1    7   30    6 o  106.409   13.831   31.490   7.9530   0.0000   0.0000   31.490   7.9530  ?   ?   106.409   13.831      ?      ? 
1 1 1    7   30    7 o   43.664   18.669   0.4711   7.8205   0.0000   0.0000   0.4711   7.8205  ?   ?    43.664   18.669      ?      ? 
1 1 1    7   30    8 o  152.488   10.455   63.927   8.6147   0.0000   0.0000   63.927   8.6147  ?   ?   152.488   10.455      ?      ? 
1 1 1    7   30    9 o   79.043   18.744   18.518   7.8843   0.0000   0.0000   18.518   7.8843  ?   ?    79.043   18.744      ?      ? 
1 1 1    7   30   10 o  183.376   9.1408   92.157   9.0576   0.0000   0.0000   92.157   9.0576  ?   ?   183.376   9.1408      ?      ? 
1 1 1    7   30   11 o  171.946   9.4624   81.152   8.7919   0.0000   0.0000   81.152   8.7919  ?   ?   171.946   9.4624      ?      ? 
1 1 1    7   30   12 o  192.488   11.550  102.544   12.013   0.0000   0.0000  102.544   12.013  ?   ?   192.488   11.550      ?      ? 
1 1 1    7   30   13 o  152.139   10.060   63.711   8.2708   0.0000   0.0000   63.711   8.2708  ?   ?   152.139   10.060      ?      ? 
1 1 1    7   30   14 o  107.935   13.220   32.511   7.7104   0.0000   0.0000   32.511   7.7104  ?   ?   107.935   13.220      ?      ? 
1 1 1    7   30   15 o  305.794   13.206  261.150   21.821   0.0000   0.0000  261.150   21.821  ?   ?   305.794   13.206      ?      ? 
1 1 1    7   30   16 o  103.764   13.457   30.150   7.5457   0.0000   0.0000   30.150   7.5457  ?   ?   103.764   13.457      ?      ? 
1 1 1    7   30   17 o  248.135   7.5608  168.369   10.138   0.0000   0.0000  168.369   10.138  ?   ?   248.135   7.5608      ?      ? 
1 1 1    7   30   18 o  131.087   10.753   47.607   7.6165   0.0000   0.0000   47.607   7.6165  ?   ?   131.087   10.753      ?      ? 
1 1 1    7   30   19 o   92.193   14.730   24.074   7.3381   0.0000   0.0000   24.074   7.3381  ?   ?    92.193   14.730      ?      ? 
1 1 1    7   30   20 o  137.767   10.347   52.523   7.7025   0.0000   0.0000   52.523   7.7025  ?   ?   137.767   10.347      ?      ? 
1 1 1    7   30   21 o   94.314   12.955   23.313   6.1849   37.635   11.168   16.976   7.4281  113.693   18.178   74.934   18.464 38.75904 25.91039 
1 1 1    7   30   22 o   62.282   15.189   11.358   6.1747   8.1464   10.667   12.976   7.5723   59.066   23.079   65.499   19.752 -6.432991 30.37719 
1 1 1    7   30   23 o  246.521   7.7439  167.712   9.8624  174.842   16.714  163.903   12.216  249.453   12.399  243.589   9.2807 5.864014 15.48774 
1 1 1    7   30   24 o   69.213   16.406   12.739   7.9734   3.0248   10.868   24.062   11.733   52.229   22.160   86.197   24.199 -33.96889 32.81229 
1 1 1    7   30   25 o   80.871   15.359   21.504   7.8997   32.956   10.465   6.3326   12.045  103.853   19.360   57.890   23.849 45.96238 30.71795 
1 1 1    7   30   26 o   63.531   15.897   8.8756   8.0162  -4.0751   11.373   21.662   11.301   45.640   20.817   81.421   24.032 -35.78136 31.79409 
1 1 1    7   30   27 o   81.637   16.004   20.657   8.0985   8.7070   11.165   33.925   11.765   59.667   23.521  103.608   21.709 -43.94040 32.00784 
1 1 1    7   30   28 f  130.543   11.493   50.002   8.0324   56.160   11.222   43.532   11.502  139.618   14.875  121.467   17.524 18.15117 22.98566 
1 1 1    7   30   29 o   99.750   15.155   31.708   7.9018   31.984   10.716   31.380   11.698  100.975   20.344   98.525   22.470 2.450439 30.31088 
1 1 1    7   30   30 o   68.285   17.070   14.770   7.9434   11.891   11.283   17.599   11.184   63.599   24.018   72.970   24.262 -9.370415 34.13998 
1 1 1    7   30   31 o   51.761   15.524   3.8465   7.5005   4.3179   9.9589   3.2285   11.401   51.281   21.453   52.241   22.444 -0.9595985 31.04784 
1 1 1    7   30   32 o   79.490   16.355   21.533   7.4634   22.820   9.9698   19.893   11.257   82.858   21.926   76.121   24.273 6.737183 32.70970 
1 1 1    7   30   33 o   74.602   16.779   19.168   7.6904   15.042   10.431   24.082   11.383   66.699   23.399   82.505   24.053 -15.80682 33.55735 
1 1 1    7   30   34 o   39.098   13.074  -9.6868   7.5966  -2.5259   9.8483 -20.2072   11.937   42.674   19.428   35.522   17.500 7.152344 26.14771 
1 1 1    7   30   35 o   74.508   25.185   19.376   12.049   0.0000   0.0000   19.376   12.049  ?   ?    74.508   25.185      ?      ? 
1 1 1    7   30   36 o   49.544   14.886  -2.8124   7.9137 -16.3650   10.760   13.155   11.680   34.899   17.075   64.189   24.389 -29.29008 29.77218 
1 1 1    7   30   37 o   36.769   12.862 -20.7155   9.3963 -38.8063   16.814 -12.4999   11.331   36.403   18.353   37.135   18.024 -0.7314148 25.72323 
1 1 1    7   30   38 o   63.106   18.940   6.8853   12.276   35.023   19.245 -12.4144   15.939   82.265   31.295   43.946   21.340 38.31939 37.87901 
1 1 1    7   30   39 o   68.302   20.251   18.628   12.618   16.207   20.037   20.218   16.243   66.431   29.131   70.174   28.138 -3.743019 40.50137 
1 1 1    7   30   40 o  118.973   21.051   62.591   13.295   68.221   21.198   58.941   17.068  118.492   32.246  119.453   27.069 -0.9608917 42.10128 
1 1 1    7   31    0 o  136.595   11.257   51.606   8.3086   0.0000   0.0000   51.606   8.3086  ?   ?   136.595   11.257      ?      ? 
1 1 1    7   31    1 o  151.760   10.675   63.554   8.7540   0.0000   0.0000   63.554   8.7540  ?   ?   151.760   10.675      ?      ? 
1 1 1    7   31    2 o  215.404   8.9340  127.242   10.399   0.0000   0.0000  127.242   10.399  ?   ?   215.404   8.9340      ?      ? 
1 1 1    7   31    3 o   83.635   23.080   21.493   10.772   0.0000   0.0000   21.493   10.772  ?   ?    83.635   23.080      ?      ? 
1 1 1    7   31    4 o  127.459   16.175   46.074   11.141   0.0000   0.0000   46.074   11.141  ?   ?   127.459   16.175      ?      ? 
1 1 1    7   31    5 o  110.998   13.450   34.442   8.0672   0.0000   0.0000   34.442   8.0672  ?   ?   110.998   13.450      ?      ? 
1 1 1    7   31    6 o   49.075   19.398   4.5139   7.6129   0.0000   0.0000   4.5139   7.6129  ?   ?    49.075   19.398      ?      ? 
1 1 1    7   31    7 o  177.742   9.2707   86.808   8.9041   0.0000   0.0000   86.808   8.9041  ?   ?   177.742   9.2707      ?      ? 
1 1 1    7   31    8 o  135.332   11.025   50.702   8.0623   0.0000   0.0000   50.702   8.0623  ?   ?   135.332   11.025      ?      ? 
1 1 1    7   31    9 o   47.652   19.003   4.0492   7.3661   0.0000   0.0000   4.0492   7.3661  ?   ?    47.652   19.003      ?      ? 
1 1 1    7   31   10 o   52.092   19.431   6.5535   7.3381   0.0000   0.0000   6.5535   7.3381  ?   ?    52.092   19.431      ?      ? 
1 1 1    7   31   11 o   71.484   19.141   15.434   7.5412   0.0000   0.0000   15.434   7.5412  ?   ?    71.484   19.141      ?      ? 
1 1 1    7   31   12 o   51.048   19.464   5.9360   7.4555   0.0000   0.0000   5.9360   7.4555  ?   ?    51.048   19.464      ?      ? 
1 1 1    7   31   13 o  238.337   9.1077  156.317   11.730   0.0000   0.0000  156.317   11.730  ?   ?   238.337   9.1077      ?      ? 
1 1 1    7   31   14 f  145.454   22.619   63.768   17.778   0.0000   0.0000   63.768   17.778  ?   ?   145.454   22.619      ?      ? 
1 1 1    7   31   15 o   46.712   18.877   3.5903   7.3724   0.0000   0.0000   3.5903   7.3724  ?   ?    46.712   18.877      ?      ? 
1 1 1    7   31   16 o  119.473   11.844   39.864   7.6462   0.0000   0.0000   39.864   7.6462  ?   ?   119.473   11.844      ?      ? 
1 1 1    7   31   17 o   38.798   17.216  -1.4930   7.1962   0.0000   0.0000  -1.4930   7.1962  ?   ?    38.798   17.216      ?      ? 
1 1 1    7   31   18 o  156.814   10.222   68.238   8.6621   0.0000   0.0000   68.238   8.6621  ?   ?   156.814   10.222      ?      ? 
1 1 1    7   31   19 o   60.804   19.645   11.003   7.3548   0.0000   0.0000   11.003   7.3548  ?   ?    60.804   19.645      ?      ? 
1 1 1    7   31   20 o  147.163   13.980   61.683   11.117   0.0000   0.0000   61.683   11.117  ?   ?   147.163   13.980      ?      ? 
1 1 1    7   31   21 o   74.669   18.123   17.070   7.2384   0.0000   0.0000   17.070   7.2384  ?   ?    74.669   18.123      ?      ? 
1 1 1    7   31   22 o   51.366   14.907   4.3269   6.2834   6.7162   10.942   3.1514   7.6750   56.653   22.961   46.078   19.017 10.57436 29.81331 
1 1 1    7   31   23 o   34.908   11.881 -10.1486   5.9344  -8.8378   10.618 -10.7440   7.1564   40.145   18.914   29.672   14.384 10.47263 23.76151 
1 1 1    7   31   24 o   53.221   14.022  -0.2607   6.1170   17.977   10.636  -9.2758   7.4775   74.735   23.569   31.707   15.200 43.02805 28.04494 
1 1 1    7   31   25 o   68.531   17.508   14.145   8.3297   17.892   12.464   11.122   11.197   74.121   25.602   62.941   23.889 11.18015 35.01617 
1 1 1    7   31   26 o   74.745   16.928   18.459   7.7767   16.230   10.981   20.702   11.015   70.696   24.042   78.795   23.837 -8.098709 33.85585 
1 1 1    7   31   27 o   51.784   15.234   1.0075   7.5908  -7.9156   10.167   12.248   11.411   39.406   18.548   64.163   24.171 -24.75663 30.46773 
1 1 1    7   31   28 o  179.881   13.230   92.991   12.860   0.0000   0.0000   92.991   12.860  ?   ?   179.881   13.230      ?      ? 
1 1 1    7   31   29 o   43.361   14.026  -4.1584   7.5127  -9.3262   10.629   1.0006   10.620   38.940   18.516   47.781   21.072 -8.840641 28.05112 
1 1 1    7   31   30 o   60.222   16.366   10.940   7.6374   13.982   10.376   7.3443   11.283   64.830   23.277   55.615   23.013 9.215572 32.73236 
1 1 1    7   31   31 o  106.725   14.929   37.359   8.4011   28.605   11.838   46.240   11.924   90.802   23.828  122.649   17.991 -31.84650 29.85732 
1 1 1    7   31   32 o  145.483   10.843   62.568   8.5117   60.789   11.670   64.590   12.441  143.512   15.049  147.454   15.614 -3.941956 21.68586 
1 1 1    7   31   33 o   75.782   20.213   12.406   10.751   43.536   21.257   1.7066   12.462  100.326   33.452   51.238   22.700 49.08747 40.42697 
1 1 1    7   31   34 o   64.004   19.408   9.8963   12.385   28.153   19.286  -2.9144   16.156   77.645   30.817   50.363   23.602 27.28180 38.81631 
1 1 1    7   31   35 o   64.483   19.468   17.183   12.125   13.410   18.155   20.221   16.290   61.356   27.279   67.609   27.781 -6.252831 38.93499 
1 1 1    7   31   36 o   58.807   18.958   5.6836   13.095   12.651   20.392   0.7937   17.084   63.936   28.634   53.677   24.855 10.25852 37.91665 
1 1 1    7   31   37 o   61.524   18.177   12.337   9.3487   8.4085   11.165   21.550   17.099   53.860   22.634   69.188   28.449 -15.32809 36.35485 
1 1 1    7   31   38 o   72.682   15.314   17.784   7.9429   2.1463   10.568   38.083   12.041   45.412   20.453   99.951   22.799 -54.53872 30.62874 
1 1 1    7   32    0 o  259.443   9.0874  185.250   12.740   0.0000   0.0000  185.250   12.740  ?   ?   259.443   9.0874      ?      ? 
1 1 1    7   32    1 o  145.164   10.772   58.427   8.4494   0.0000   0.0000   58.427   8.4494  ?   ?   145.164   10.772      ?      ? 
1 1 1    7   32    2 o   48.802   21.397  -0.3854   10.807   0.0000   0.0000  -0.3854   10.807  ?   ?    48.802   21.397      ?      ? 
1 1 1    7   32    3 o   85.700   22.387   22.886   10.481   0.0000   0.0000   22.886   10.481  ?   ?    85.700   22.387      ?      ? 
1 1 1    7   32    4 o   64.340   20.340   12.315   7.9171   0.0000   0.0000   12.315   7.9171  ?   ?    64.340   20.340      ?      ? 
1 1 1    7   32    5 f  199.988   9.4477  110.289   10.210   0.0000   0.0000  110.289   10.210  ?   ?   199.988   9.4477      ?      ? 
1 1 1    7   32    6 o  145.543   10.704   58.768   8.4186   0.0000   0.0000   58.768   8.4186  ?   ?   145.543   10.704      ?      ? 
1 1 1    7   32    7 o   73.002   19.273   16.228   7.7148   0.0000   0.0000   16.228   7.7148  ?   ?    73.002   19.273      ?      ? 
1 1 1    7   32    8 o   30.801   14.866 -10.6119   7.4371   0.0000   0.0000 -10.6119   7.4371  ?   ?    30.801   14.866      ?      ? 
1 1 1    7   32    9 o  145.466   11.125   58.931   8.7449   0.0000   0.0000   58.931   8.7449  ?   ?   145.466   11.125      ?      ? 
1 1 1    7   32   10 o   77.487   18.344   18.223   7.5619   0.0000   0.0000   18.223   7.5619  ?   ?    77.487   18.344      ?      ? 
1 1 1    7   32   11 o   61.608   20.047   11.272   7.6507   0.0000   0.0000   11.272   7.6507  ?   ?    61.608   20.047      ?      ? 
1 1 1    7   32   12 f   78.474   18.709   18.811   7.8216   0.0000   0.0000   18.811   7.8216  ?   ?    78.474   18.709      ?      ? 
1 1 1    7   32   13 o   35.812   16.404  -3.8867   7.1622   0.0000   0.0000  -3.8867   7.1622  ?   ?    35.812   16.404      ?      ? 
1 1 1    7   32   14 o   66.925   19.760   13.770   7.6392   0.0000   0.0000   13.770   7.6392  ?   ?    66.925   19.760      ?      ? 
1 1 1    7   32   15 o   46.998   18.434   4.6414   6.8259   0.0000   0.0000   4.6414   6.8259  ?   ?    46.998   18.434      ?      ? 
1 1 1    7   32   16 o   70.095   19.008   15.194   7.3812   0.0000   0.0000   15.194   7.3812  ?   ?    70.095   19.008      ?      ? 
1 1 1    7   32   17 o   63.151   19.508   12.208   7.3279   0.0000   0.0000   12.208   7.3279  ?   ?    63.151   19.508      ?      ? 
1 1 1    7   32   18 o  108.264   13.327   33.345   7.7966   0.0000   0.0000   33.345   7.7966  ?   ?   108.264   13.327      ?      ? 
1 1 1    7   32   19 o  119.756   17.288   42.201   11.187   0.0000   0.0000   42.201   11.187  ?   ?   119.756   17.288      ?      ? 
1 1 1    7   32   20 o  100.164   14.206   28.795   7.6888   0.0000   0.0000   28.795   7.6888  ?   ?   100.164   14.206      ?      ? 
1 1 1    7   32   21 o   98.741   14.456   28.168   7.7133   0.0000   0.0000   28.168   7.7133  ?   ?    98.741   14.456      ?      ? 
1 1 1    7   32   22 o   46.537   18.856   4.0680   7.3774   0.0000   0.0000   4.0680   7.3774  ?   ?    46.537   18.856      ?      ? 
1 1 1    7   32   23 o   31.069   10.929 -18.2421   6.1552 -12.9932   10.658 -20.8686   7.5396   37.062   17.864   25.076   12.596 11.98531 21.85808 
1 1 1    7   32   24 o   62.083   16.081   10.873   6.5073   14.205   12.297   9.5771   7.6691   67.294   25.143   56.873   20.055 10.42126 32.16131 
1 1 1    7   32   25 o   45.854   13.722   1.6049   6.4185 -12.0856   11.857   7.2799   7.6338   39.765   19.083   51.943   19.722 -12.17778 27.44314 
1 1 1    7   32   26 o  105.944   15.319   37.181   8.6375   26.554   11.879   49.101   12.581   86.417   24.380  125.471   18.557 -39.05437 30.63874 
1 1 1    7   32   27 o   54.859   15.972   6.1342   7.6614   2.1544   10.121   11.475   11.724   47.993   20.882   61.724   24.174 -13.73119 31.94457 
1 1 1    7   32   28 o   85.533   25.637   26.198   12.785   26.198   12.785   0.0000   0.0000   85.533   25.637  ?   ?       ?      ? 
1 1 1    7   32   29 o   67.258   20.473  -3.2422   14.352   35.991   23.872 -25.4505   17.960   90.454   34.748   44.063   21.661 46.39125 40.94663 
1 1 1    7   32   30 f   54.345   18.143  -6.0097   13.715  -6.3378   21.606  -5.7883   17.750   56.321   26.669   52.369   24.604 3.952251 36.28531 
1 1 1    7   32   31 o   84.357   20.561   33.407   14.023   7.4234   21.438   52.838   18.539   59.773   27.736  108.941   30.359 -49.16798 41.12137 
1 1 1    7   32   32 o   71.459   21.346   23.738   13.657   33.559   22.804   18.245   17.054   77.095   32.370   65.822   27.834 11.27276 42.69119 
1 1 1    7   32   33 o   68.912   17.874   18.825   9.2623   22.860   11.131   9.7410   16.702   77.784   24.045   60.040   26.454 17.74419 35.74876 
1 1 1    7   32   34 o   66.367   17.265   17.274   8.1745   15.012   11.393   19.674   11.735   62.840   24.038   69.894   24.790 -7.053909 34.53070 
1 1 1    7   32   35 o   57.676   16.431   11.981   7.8843   8.6357   10.593   16.136   11.805   52.613   22.075   62.739   24.344 -10.12624 32.86249 
1 1 1    7   33    0 o   60.826   19.943   11.031   7.5666   0.0000   0.0000   11.031   7.5666  ?   ?    60.826   19.943      ?      ? 
1 1 1    7   33    2 o  140.791   14.248   56.611   10.840   0.0000   0.0000   56.611   10.840  ?   ?   140.791   14.248      ?      ? 
1 1 1    7   33    3 o   78.159   18.747   18.770   7.8157   0.0000   0.0000   18.770   7.8157  ?   ?    78.159   18.747      ?      ? 
1 1 1    7   33    4 o   56.212   20.289   8.6983   7.8948   0.0000   0.0000   8.6983   7.8948  ?   ?    56.212   20.289      ?      ? 
1 1 1    7   33    5 o   50.104   19.402   5.7289   7.4870   0.0000   0.0000   5.7289   7.4870  ?   ?    50.104   19.402      ?      ? 
1 1 1    7   33    6 o  112.148   13.502   35.788   8.1821   0.0000   0.0000   35.788   8.1821  ?   ?   112.148   13.502      ?      ? 
1 1 1    7   33    7 o  126.661   12.090   45.214   8.2745   0.0000   0.0000   45.214   8.2745  ?   ?   126.661   12.090      ?      ? 
1 1 1    7   33    8 o   47.042   19.136   3.8175   7.6322   0.0000   0.0000   3.8175   7.6322  ?   ?    47.042   19.136      ?      ? 
1 1 1    7   33    9 o   44.430   18.530   2.4611   7.3978   0.0000   0.0000   2.4611   7.3978  ?   ?    44.430   18.530      ?      ? 
1 1 1    7   33   10 o  126.804   11.901   45.283   8.1545   0.0000   0.0000   45.283   8.1545  ?   ?   126.804   11.901      ?      ? 
1 1 1    7   33   11 f   84.356   17.771   21.649   7.8448   0.0000   0.0000   21.649   7.8448  ?   ?    84.356   17.771      ?      ? 
1 1 1    7   33   12 o  104.672   13.566   31.224   7.6734   0.0000   0.0000   31.224   7.6734  ?   ?   104.672   13.566      ?      ? 
1 1 1    7   33   13 o  100.185   14.421   28.823   7.8069   0.0000   0.0000   28.823   7.8069  ?   ?   100.185   14.421      ?      ? 
1 1 1    7   33   14 o   80.188   17.073   19.530   7.1708   0.0000   0.0000   19.530   7.1708  ?   ?    80.188   17.073      ?      ? 
1 1 1    7   33   15 o   61.031   19.808   11.411   7.4711   0.0000   0.0000   11.411   7.4711  ?   ?    61.031   19.808      ?      ? 
1 1 1    7   33   16 o   39.421   17.171   0.1023   6.8589   0.0000   0.0000   0.1023   6.8589  ?   ?    39.421   17.171      ?      ? 
1 1 1    7   33   17 o   62.016   19.838   11.961   7.5146   0.0000   0.0000   11.961   7.5146  ?   ?    62.016   19.838      ?      ? 
1 1 1    7   33   18 o   67.607   18.594   14.329   7.0051   0.0000   0.0000   14.329   7.0051  ?   ?    67.607   18.594      ?      ? 
1 1 1    7   33   19 o   33.084   15.616  -6.6380   7.2983   0.0000   0.0000  -6.6380   7.2983  ?   ?    33.084   15.616      ?      ? 
1 1 1    7   33   20 o   66.504   19.770   14.243   7.6260   0.0000   0.0000   14.243   7.6260  ?   ?    66.504   19.770      ?      ? 
1 1 1    7   33   21 o  129.915   11.544   48.274   8.1041   0.0000   0.0000   48.274   8.1041  ?   ?   129.915   11.544      ?      ? 
1 1 1    7   33   22 o   59.441   19.807   11.288   7.4524   0.0000   0.0000   11.288   7.4524  ?   ?    59.441   19.807      ?      ? 
1 1 1    7   33   23 o   91.286   20.565   27.289   9.9008   0.0000   0.0000   27.289   9.9008  ?   ?    91.286   20.565      ?      ? 
1 1 1    7   33   24 o   69.180   22.618   16.002   9.7351   0.0000   0.0000   16.002   9.7351  ?   ?    69.180   22.618      ?      ? 
1 1 1    7   33   25 o  109.512   17.580   36.490   10.403   0.0000   0.0000   36.490   10.403  ?   ?   109.512   17.580      ?      ? 
1 1 1    7   33   26 o  108.723   17.580   36.378   10.329   0.0000   0.0000   36.378   10.329  ?   ?   108.723   17.580      ?      ? 
1 1 1    7   33   27 o  105.409   16.807   34.966   9.5732   0.0000   0.0000   34.966   9.5732  ?   ?   105.409   16.807      ?      ? 
1 1 1    7   33   28 o   50.922   17.168  -2.7657   12.681  -2.1811   20.996  -3.1014   15.910   53.362   25.551   48.483   22.936 4.879551 34.33583 
1 1 1    7   33   29 o   93.120   16.337   31.623   8.1797   29.587   11.289   33.873   11.869   89.783   23.127   96.457   23.080 -6.674606 32.67300 
1 1 1    7   33   30 o   67.108   17.216   16.954   8.0480   17.757   11.619   16.214   11.158   68.240   24.616   65.975   24.074 2.264633 34.43111 
1 1 1    7   33   31 f  113.625   13.795   44.101   8.0475   31.521   11.021   58.470   11.779   91.838   22.407  135.411   16.097 -43.57236 27.58947 
1 1 1    7   33   32 o   52.846   15.690   8.8162   7.5821   9.4649   10.349   8.0645   11.140   53.498   22.081   52.193   22.298 1.305088 31.38088 
1 1 1    7   34    0 o  106.891   21.307   36.138   11.875   0.0000   0.0000   36.138   11.875  ?   ?   106.891   21.307      ?      ? 
1 1 1    7   34    1 o  182.180   13.520   94.936   13.309   0.0000   0.0000   94.936   13.309  ?   ?   182.180   13.520      ?      ? 
1 1 1    7   34    2 o   44.047   18.798   1.5653   7.9026   0.0000   0.0000   1.5653   7.9026  ?   ?    44.047   18.798      ?      ? 
1 1 1    7   34    3 o  131.057   11.727   48.498   8.3048   0.0000   0.0000   48.498   8.3048  ?   ?   131.057   11.727      ?      ? 
1 1 1    7   34    4 o  116.131   13.212   38.552   8.2910   0.0000   0.0000   38.552   8.2910  ?   ?   116.131   13.212      ?      ? 
1 1 1    7   34    5 o   48.178   19.370   4.6369   7.7199   0.0000   0.0000   4.6369   7.7199  ?   ?    48.178   19.370      ?      ? 
1 1 1    7   34    6 f   81.277   18.822   20.648   8.1038   0.0000   0.0000   20.648   8.1038  ?   ?    81.277   18.822      ?      ? 
1 1 1    7   34    7 o   52.738   20.088   7.1632   7.9353   0.0000   0.0000   7.1632   7.9353  ?   ?    52.738   20.088      ?      ? 
1 1 1    7   34    8 o   55.023   19.907   8.5926   7.6065   0.0000   0.0000   8.5926   7.6065  ?   ?    55.023   19.907      ?      ? 
1 1 1    7   34    9 o   48.742   19.376   5.1410   7.6355   0.0000   0.0000   5.1410   7.6355  ?   ?    48.742   19.376      ?      ? 
1 1 1    7   34   10 o   39.311   17.537  -1.3645   7.5701   0.0000   0.0000  -1.3645   7.5701  ?   ?    39.311   17.537      ?      ? 
1 1 1    7   34   11 o   57.241   20.106   9.6992   7.7022   0.0000   0.0000   9.6992   7.7022  ?   ?    57.241   20.106      ?      ? 
1 1 1    7   34   12 o   51.275   19.797   6.5712   7.7770   0.0000   0.0000   6.5712   7.7770  ?   ?    51.275   19.797      ?      ? 
1 1 1    7   34   13 o   48.476   19.390   5.1258   7.6929   0.0000   0.0000   5.1258   7.6929  ?   ?    48.476   19.390      ?      ? 
1 1 1    7   34   14 o   79.798   18.624   20.307   7.8842   0.0000   0.0000   20.307   7.8842  ?   ?    79.798   18.624      ?      ? 
1 1 1    7   34   15 o   60.991   19.702   11.967   7.3979   0.0000   0.0000   11.967   7.3979  ?   ?    60.991   19.702      ?      ? 
1 1 1    7   34   16 o   59.022   20.464   11.054   7.9666   0.0000   0.0000   11.054   7.9666  ?   ?    59.022   20.464      ?      ? 
1 1 1    7   34   17 o   75.315   20.621   18.815   8.6379   0.0000   0.0000   18.815   8.6379  ?   ?    75.315   20.621      ?      ? 
1 1 1    7   34   18 o  109.324   18.056   36.721   10.667   0.0000   0.0000   36.721   10.667  ?   ?   109.324   18.056      ?      ? 
1 1 1    7   34   19 o   56.598   22.359   8.5245   10.109   0.0000   0.0000   8.5245   10.109  ?   ?    56.598   22.359      ?      ? 
1 1 1    7   34   21 o   74.048   22.731   18.779   9.9675   0.0000   0.0000   18.779   9.9675  ?   ?    74.048   22.731      ?      ? 
1 1 1    7   34   22 o   59.126   22.371   11.238   9.8007   0.0000   0.0000   11.238   9.8007  ?   ?    59.126   22.371      ?      ? 
1 1 1    7   34   23 o   47.461   20.170   4.8270   9.0293   0.0000   0.0000   4.8270   9.0293  ?   ?    47.461   20.170      ?      ? 
1 1 1    7   34   24 o   40.738   17.827   1.6205   7.4688   0.0000   0.0000   1.6205   7.4688  ?   ?    40.738   17.827      ?      ? 
1 1 1    7   34   25 o   58.887   14.551   11.923   6.8692  -4.6216   13.093   18.206   8.0688   45.154   21.188   72.620   19.949 -27.46609 29.10168 
1 1 1    7   34   26 o   40.719   13.277  -2.1353   6.4315  -3.5563   11.350  -1.4633   7.8055   43.152   20.076   38.287   17.379 4.864441 26.55327 
1 1 1    7   34   27 o   67.547   16.205   16.469   6.6618   22.108   11.930   13.914   8.0303   73.063   25.059   62.031   20.555 11.03248 32.41072 
1 1 1    7   34   28 o   74.392   16.122   21.323   6.7804   23.716   12.374   20.296   8.1056   73.728   25.507   75.055   19.727 -1.326874 32.24495 
1 1 1    7   35    0 o   55.663   22.335   8.0198   10.243   0.0000   0.0000   8.0198   10.243  ?   ?    55.663   22.335      ?      ? 
1 1 1    7   35    1 o  113.742   14.107   37.992   8.6703   0.0000   0.0000   37.992   8.6703  ?   ?   113.742   14.107      ?      ? 
1 1 1    7   35    2 o  104.560   14.505   32.272   8.1955   0.0000   0.0000   32.272   8.1955  ?   ?   104.560   14.505      ?      ? 
1 1 1    7   35    3 o  146.611   11.023   61.204   8.7326   0.0000   0.0000   61.204   8.7326  ?   ?   146.611   11.023      ?      ? 
1 1 1    7   35    4 o   71.328   20.113   16.809   8.0871   0.0000   0.0000   16.809   8.0871  ?   ?    71.328   20.113      ?      ? 
1 1 1    7   35    5 o   60.657   20.638   11.851   8.0916   0.0000   0.0000   11.851   8.0916  ?   ?    60.657   20.638      ?      ? 
1 1 1    7   35    6 o  106.211   15.078   33.594   8.6535   0.0000   0.0000   33.594   8.6535  ?   ?   106.211   15.078      ?      ? 
1 1 1    7   35    7 o   79.674   19.270   20.619   8.2059   0.0000   0.0000   20.619   8.2059  ?   ?    79.674   19.270      ?      ? 
1 1 1    7   35    8 o  105.189   16.355   33.390   9.2961   0.0000   0.0000   33.390   9.2961  ?   ?   105.189   16.355      ?      ? 
1 1 1    7   35    9 o   81.095   20.782   21.763   9.1488   0.0000   0.0000   21.763   9.1488  ?   ?    81.095   20.782      ?      ? 
1 1 1    7   35   10 o   64.288   23.397   13.342   10.531   0.0000   0.0000   13.342   10.531  ?   ?    64.288   23.397      ?      ? 
1 1 1    7   35   11 o   66.032   23.810   14.282   10.869   0.0000   0.0000   14.282   10.869  ?   ?    66.032   23.810      ?      ? 
1 1 1    7   35   12 o  249.469   10.738  176.072   14.475   0.0000   0.0000  176.072   14.475  ?   ?   249.469   10.738      ?      ? 
1 1 1    7   35   13 o  178.628   12.686   91.856   12.245   0.0000   0.0000   91.856   12.245  ?   ?   178.628   12.686      ?      ? 
1 1 1    7   35   14 o   54.597   22.624   6.4888   10.927   0.0000   0.0000   6.4888   10.927  ?   ?    54.597   22.624      ?      ? 
1 1 1    7   35   15 o   64.417   23.339   13.720   10.461   0.0000   0.0000   13.720   10.461  ?   ?    64.417   23.339      ?      ? 
1 1 1    7   35   16 o   78.959   23.054   22.320   10.450   0.0000   0.0000   22.320   10.450  ?   ?    78.959   23.054      ?      ? 
1 1 1    7   35   17 o   99.404   19.136   33.218   9.9057   0.0000   0.0000   33.218   9.9057  ?   ?    99.404   19.136      ?      ? 
1 1 1    7   35   18 f   39.514   17.768  -0.0829   7.9381   0.0000   0.0000  -0.0829   7.9381  ?   ?    39.514   17.768      ?      ? 
1 1 1    7   35   19 o   51.748   19.986   8.3282   7.9288   0.0000   0.0000   8.3282   7.9288  ?   ?    51.748   19.986      ?      ? 
1 1 1    7   35   20 o   90.779   17.559   26.734   8.3018   0.0000   0.0000   26.734   8.3018  ?   ?    90.779   17.559      ?      ? 
1 1 1    7   35   21 o   40.680   18.034   0.4802   7.8790   0.0000   0.0000   0.4802   7.8790  ?   ?    40.680   18.034      ?      ? 
1 1 1    7   35   22 o   53.942   20.009   9.6568   7.7604   0.0000   0.0000   9.6568   7.7604  ?   ?    53.942   20.009      ?      ? 
1 1 1    7   35   23 o   56.818   20.149   11.522   7.7521   0.0000   0.0000   11.522   7.7521  ?   ?    56.818   20.149      ?      ? 
1 1 1    7   36    0 o   39.915   18.919  -8.5507   10.926   0.0000   0.0000  -8.5507   10.926  ?   ?    39.915   18.919      ?      ? 
1 1 1    7   36    1 o  103.477   22.347   36.116   12.130   0.0000   0.0000   36.116   12.130  ?   ?   103.477   22.347      ?      ? 
1 1 1    7   36    2 f   45.824   20.895  -2.1569   11.449   0.0000   0.0000  -2.1569   11.449  ?   ?    45.824   20.895      ?      ? 
1 1 1    7   36    3 o   51.271   22.238   3.6321   11.406   0.0000   0.0000   3.6321   11.406  ?   ?    51.271   22.238      ?      ? 
1 1 1    7   36    4 o   68.121   24.171   16.251   11.157   0.0000   0.0000   16.251   11.157  ?   ?    68.121   24.171      ?      ? 
1 1 1    7   36    5 o   37.852   18.159 -10.3550   10.718   0.0000   0.0000 -10.3550   10.718  ?   ?    37.852   18.159      ?      ? 
1 1 1    7   36    6 o   47.092   21.064   1.0382   10.998   0.0000   0.0000   1.0382   10.998  ?   ?    47.092   21.064      ?      ? 
1 1 1    7   36    7 o   99.488   22.014   34.967   11.521   0.0000   0.0000   34.967   11.521  ?   ?    99.488   22.014      ?      ? 
1 1 1    7   36    8 o   56.436   22.340   10.492   10.111   0.0000   0.0000   10.492   10.111  ?   ?    56.436   22.340      ?      ? 
1 1 1    7   36    9 f   64.279   20.835   14.983   8.2682   0.0000   0.0000   14.983   8.2682  ?   ?    64.279   20.835      ?      ? 
1 1 1    7   36   10 o   59.193   20.738   12.536   8.1915   0.0000   0.0000   12.536   8.1915  ?   ?    59.193   20.738      ?      ? 
1 1 1    7   36   11 o   43.605   18.891   2.8120   8.2110   0.0000   0.0000   2.8120   8.2110  ?   ?    43.605   18.891      ?      ? 
1 1 1    7   36   12 o   76.489   19.738   20.207   8.2126   0.0000   0.0000   20.207   8.2126  ?   ?    76.489   19.738      ?      ? 
1 1 1    7   36   13 o   56.071   20.541   10.293   8.1354   0.0000   0.0000   10.293   8.1354  ?   ?    56.071   20.541      ?      ? 
1 1 1    7   36   14 o   90.914   17.391   26.707   8.2322   0.0000   0.0000   26.707   8.2322  ?   ?    90.914   17.391      ?      ? 
1 1 1    7   36   15 o  115.127   13.788   39.939   8.5775   0.0000   0.0000   39.939   8.5775  ?   ?   115.127   13.788      ?      ? 
1 1 1    7   36   16 o   92.722   17.860   28.622   8.6241   0.0000   0.0000   28.622   8.6241  ?   ?    92.722   17.860      ?      ? 
1 1 1    7   36   17 o   46.183   19.421   5.0859   8.2288   0.0000   0.0000   5.0859   8.2288  ?   ?    46.183   19.421      ?      ? 
1 1 1    7   36   18 o   76.468   19.455   20.892   8.0584   0.0000   0.0000   20.892   8.0584  ?   ?    76.468   19.455      ?      ? 
1 1 1    7   37    0 o   39.323   17.694  -0.5647   7.8886   0.0000   0.0000  -0.5647   7.8886  ?   ?    39.323   17.694      ?      ? 
1 1 1    7   37    1 o   72.452   20.538   18.551   8.4092   0.0000   0.0000   18.551   8.4092  ?   ?    72.452   20.538      ?      ? 
1 1 1    7   37    2 o   67.490   20.850   16.284   8.3708   0.0000   0.0000   16.284   8.3708  ?   ?    67.490   20.850      ?      ? 
1 1 1    7   37    3 o   59.397   20.785   12.379   8.2282   0.0000   0.0000   12.379   8.2282  ?   ?    59.397   20.785      ?      ? 
1 1 1    7   37    4 o   48.213   19.685   6.1422   8.1141   0.0000   0.0000   6.1422   8.1141  ?   ?    48.213   19.685      ?      ? 
1 1 1    7   37    5 o   43.912   18.878   3.2885   8.0758   0.0000   0.0000   3.2885   8.0758  ?   ?    43.912   18.878      ?      ? 
1 1 1    7   37    6 o   63.145   20.726   14.567   8.1716   0.0000   0.0000   14.567   8.1716  ?   ?    63.145   20.726      ?      ? 
1 1 1    7   37    7 o   37.889   17.317  -1.3596   7.9228   0.0000   0.0000  -1.3596   7.9228  ?   ?    37.889   17.317      ?      ? 
1 1 1    7   37    8 o   43.264   18.738   3.1497   8.0750   0.0000   0.0000   3.1497   8.0750  ?   ?    43.264   18.738      ?      ? 
1 1 1    7   37    9 o   88.724   17.630   26.602   8.1548   0.0000   0.0000   26.602   8.1548  ?   ?    88.724   17.630      ?      ? 
1 1 1    8    0    0 o  354.844   4.7861  340.603   12.968  340.603   12.968  340.603   12.968  354.844   6.7685  354.844   6.7685 0.000000 0.000000 
1 1 1    8    0    1 o  206.801   3.4229  115.744   5.4027  115.744   5.4027  115.744   5.4027  206.801   4.8407  206.801   4.8407 0.000000 0.000000 
1 1 1    8    0    2 o  633.781   7.8014  1086.52   37.759  1086.52   37.759  1086.52   37.759  633.781   11.033  633.781   11.033 0.000000 0.000000 
1 1 1    8    0    3 o  481.710   6.1356  627.645   22.570  627.645   22.570  627.645   22.570  481.710   8.6770  481.710   8.6770 0.000000 0.000000 
1 1 1    8    0    4 o  1271.59   15.150  4376.17  147.121  4376.17  147.121  4376.17  147.121  1271.59   21.425  1271.59   21.425 0.000000 0.000000 
1 1 1    8    0    5 o  1217.70   14.511  4012.74  134.951  4012.74  134.951  4012.74  134.951  1217.70   20.522  1217.70   20.522 0.000000 0.000000 
1 1 1    8    0    6 o  458.927   5.9078  569.681   20.704  569.681   20.704  569.681   20.704  458.927   8.3549  458.927   8.3549 0.000000 0.000000 
1 1 1    8    0    7 f  164.130   3.3422   72.968   4.1842   72.968   4.1842   72.968   4.1842  164.130   4.7266  164.130   4.7266 0.000000 0.000000 
1 1 1    8    0   10 o  133.722   3.1263   48.474   3.1869   48.474   3.1869   48.474   3.1869  133.722   4.4213  133.722   4.4213 0.000000 0.000000 
1 1 1    8    0   11 o  1590.32   18.878  6851.46  229.282  6851.46  229.282  6851.46  229.282  1590.32   26.698  1590.32   26.698 0.000000 0.000000 
1 1 1    8    0   12 o  1775.11   21.068  8540.37  285.616  8540.37  285.616  8540.37  285.616  1775.11   29.795  1775.11   29.795 0.000000 0.000000 
1 1 1    8    0   13 o  323.202   4.5436  282.601   11.212  282.601   11.212  282.601   11.212  323.202   6.4256  323.202   6.4256 0.000000 0.000000 
1 1 1    8    0   15 o  516.572   6.5572  721.984   25.867  721.984   25.867  721.984   25.867  516.572   9.2733  516.572   9.2733 0.000000 0.000000 
1 1 1    8    0   16 o  118.829   3.5763   38.363   3.2342   38.363   3.2342   38.363   3.2342  118.829   5.0576  118.829   5.0576 0.000000 0.000000 
1 1 1    8    0   17 o  1346.56   16.062  4917.47  165.177  4917.47  165.177  4917.47  165.177  1346.56   22.715  1346.56   22.715 0.000000 0.000000 
1 1 1    8    0   18 o  264.030   4.0886  188.658   8.2406  188.658   8.2406  188.658   8.2406  264.030   5.7821  264.030   5.7821 0.000000 0.000000 
1 1 1    8    0   19 o  487.366   6.2650  642.706   23.316  642.706   23.316  642.706   23.316  487.366   8.8600  487.366   8.8600 0.000000 0.000000 
1 1 1    8    0   20 o  234.842   3.9215  149.288   7.0289  149.288   7.0289  149.288   7.0289  234.842   5.5459  234.842   5.5459 0.000000 0.000000 
1 1 1    8    0   21 o  445.659   5.8431  537.435   19.884  537.435   19.884  537.435   19.884  445.659   8.2634  445.659   8.2634 0.000000 0.000000 
1 1 1    8    0   22 o  763.671   9.3364  1579.08   54.450  1579.08   54.450  1579.08   54.450  763.671   13.204  763.671   13.204 0.000000 0.000000 
1 1 1    8    0   23 o  425.206   5.6602  489.219   18.377  489.219   18.377  489.219   18.377  425.206   8.0047  425.206   8.0047 0.000000 0.000000 
1 1 1    8    0   24 o  1371.68   16.375  5105.44  171.542  5105.44  171.542  5105.44  171.542  1371.68   23.158  1371.68   23.158 0.000000 0.000000 
1 1 1    8    0   25 o  606.838   7.5995  996.548   35.217  996.548   35.217  996.548   35.217  606.838   10.747  606.838   10.747 0.000000 0.000000 
1 1 1    8    0   26 o  138.443   4.2070   52.081   4.4322   52.081   4.4322   52.081   4.4322  138.443   5.9497  138.443   5.9497 0.000000 0.000000 
1 1 1    8    0   27 o  716.335   8.8328  1388.74   48.319  1388.74   48.319  1388.74   48.319  716.335   12.491  716.335   12.491 0.000000 0.000000 
1 1 1    8    0   28 o  272.606   6.1572  201.464   12.797  201.464   12.797  201.464   12.797  272.606   8.7076  272.606   8.7076 0.000000 0.000000 
1 1 1    8    0   29 o  302.612   6.5585  248.198   15.135  248.198   15.135  248.198   15.135  302.612   9.2752  302.612   9.2752 0.000000 0.000000 
1 1 1    8    0   30 o  1682.60   28.453  7711.71  365.383  7711.71  365.383  7711.71  365.383  1682.60   40.238  1682.60   40.238 0.000000 0.000000 
1 1 1    8    0   31 o  912.323   11.091  2253.21   77.272  2253.21   77.272  2253.21   77.272  912.323   15.685  912.323   15.685 0.000000 0.000000 
1 1 1    8    0   32 o  619.366   7.8194  1038.01   36.984  1038.01   36.984  1038.01   36.984  619.366   11.058  619.366   11.058 0.000000 0.000000 
1 1 1    8    0   33 o  1183.97   14.211  3797.58  128.490  3797.58  128.490  3797.58  128.490  1183.97   20.097  1183.97   20.097 0.000000 0.000000 
1 1 1    8    0   34 o  2309.51   27.489 14535.11  484.847 14535.11  484.847 14535.11  484.847  2309.51   38.875  2309.51   38.875 0.000000 0.000000 
1 1 1    8    0   35 o  832.192   10.207  1875.14   64.868  1875.14   64.868  1875.14   64.868  832.192   14.435  832.192   14.435 0.000000 0.000000 
1 1 1    8    0   36 o  2023.25   34.349 11234.23  530.402 11234.23  530.402 11234.23  530.402  2023.25   48.577  2023.25   48.577 0.000000 0.000000 
1 1 1    8    0   39 o   20.502   10.145  -6.0925   5.9239  -6.0925   5.9239  -6.0925   5.9239   20.502   14.347   20.502   14.347 0.000000 0.000000 
1 1 1    8    0   40 o  322.635   5.3363  281.848   13.141  281.848   13.141  281.848   13.141  322.635   7.5466  322.635   7.5466 0.000000 0.000000 
1 1 1    8    0   41 o  156.442   6.0156   66.755   7.1431   66.755   7.1431   66.755   7.1431  156.442   8.5073  156.442   8.5073 0.000000 0.000000 
1 1 1    8    0   42 o  238.748   5.1067  154.529   9.2978  154.529   9.2978  154.529   9.2978  238.748   7.2219  238.748   7.2219 0.000000 0.000000 
1 1 1    8    0   43 o   81.412   11.469   19.950   6.3351   19.950   6.3351   19.950   6.3351   81.412   16.220   81.412   16.220 0.000000 0.000000 
1 1 1    8    0   44 o   69.964   13.426   15.881   6.2051   15.881   6.2051   15.881   6.2051   69.964   18.988   69.964   18.988 0.000000 0.000000 
1 1 1    8    0   45 o  569.000   7.4110  877.513   32.200  877.513   32.200  877.513   32.200  569.000   10.481  569.000   10.481 0.000000 0.000000 
1 1 1    8    0   46 o  238.722   5.2293  154.604   9.5191  154.604   9.5191  154.604   9.5191  238.722   7.3954  238.722   7.3954 0.000000 0.000000 
1 1 1    8    0   47 o   55.632   15.028   11.444   6.0241   11.444   6.0241   11.444   6.0241   55.632   21.252   55.632   21.252 0.000000 0.000000 
1 1 1    8    0   48 o  332.122   5.4248  299.062   13.752  299.062   13.752  299.062   13.752  332.122   7.6719  332.122   7.6719 0.000000 0.000000 
1 1 1    8    0   49 o   30.202   13.106   2.0499   5.8283   2.0499   5.8283   2.0499   5.8283   30.202   18.535   30.202   18.535 0.000000 0.000000 
1 1 1    8    0   50 o  267.802   5.1791  194.630   10.581  194.630   10.581  194.630   10.581  267.802   7.3243  267.802   7.3243 0.000000 0.000000 
1 1 1    8    0   51 o   27.109   12.336   0.1536   5.8730   0.1536   5.8730   0.1536   5.8730   27.109   17.446   27.109   17.446 0.000000 0.000000 
1 1 1    8    0   52 o  179.329   5.7349   87.714   7.8227   87.714   7.8227   87.714   7.8227  179.329   8.1104  179.329   8.1104 0.000000 0.000000 
1 1 1    8    0   53 o   60.527   14.567   13.028   6.0413   13.028   6.0413   13.028   6.0413   60.527   20.601   60.527   20.601 0.000000 0.000000 
1 1 1    8    0   54 o   85.143   10.327   21.476   6.1260   21.476   6.1260   21.476   6.1260   85.143   14.605   85.143   14.605 0.000000 0.000000 
1 1 1    8    0   55 o  302.703   5.3458  249.134   12.349  249.134   12.349  249.134   12.349  302.703   7.5601  302.703   7.5601 0.000000 0.000000 
1 1 1    8    0   56 o  100.734   8.9452   29.058   6.5915   29.058   6.5915   29.058   6.5915  100.734   12.650  100.734   12.650 0.000000 0.000000 
1 1 1    8    0   57 f  185.271   5.8430   93.930   8.2352   93.930   8.2352   93.930   8.2352  185.271   8.2632  185.271   8.2632 0.000000 0.000000 
1 1 1    8    0   58 o  195.868   5.7611  104.953   8.5893  104.953   8.5893  104.953   8.5893  195.868   8.1474  195.868   8.1474 0.000000 0.000000 
1 1 1    8    0   59 o  139.469   7.2093   54.055   7.5893   54.055   7.5893   54.055   7.5893  139.469   10.195  139.469   10.195 0.000000 0.000000 
1 1 1    8    0   60 o   41.143   15.557   7.1013   6.6851   7.1013   6.6851   7.1013   6.6851   41.143   22.001   41.143   22.001 0.000000 0.000000 
1 1 1    8    0   61 o  171.394   6.4544   81.018   8.3991   81.018   8.3991   81.018   8.3991  171.394   9.1279  171.394   9.1279 0.000000 0.000000 
1 1 1    8    0   62 o   43.707   16.077   8.2363   6.9853   8.2363   6.9853   8.2363   6.9853   43.707   22.737   43.707   22.737 0.000000 0.000000 
1 1 1    8    0   63 o  141.908   7.5501   56.401   8.0811   56.401   8.0811   56.401   8.0811  141.908   10.677  141.908   10.677 0.000000 0.000000 
1 1 1    8    0   64 o   20.957   10.613 -11.3604   7.9010 -11.3604   7.9010 -11.3604   7.9010   20.957   15.009   20.957   15.009 0.000000 0.000000 
1 1 1    8    0   67 o   44.782   19.157   9.0000   12.066   9.0000   12.066   9.0000   12.066   44.782   27.092   44.782   27.092 0.000000 0.000000 
1 1 1    8    0   68 o   35.168   15.425   4.4912   8.2802   4.4912   8.2802   4.4912   8.2802   35.168   21.815   35.168   21.815 0.000000 0.000000 
1 1 1    8    1    0 o  222.125   3.5668  133.288   4.2806  130.937   5.9998  135.725   6.1090  220.130   5.0439  224.119   5.0444 -3.988907 7.133510 
1 1 1    8    1    1 o  401.327   7.4415  435.262   16.138   0.0000   0.0000  435.262   16.138  ?   ?   401.327   7.4415      ?      ? 
1 1 1    8    1    4 o  1424.26   16.923  5492.31  130.245  5485.73  184.009  5498.92  184.381  1423.40   23.923  1425.11   23.943 -1.708130 33.84671 
1 1 1    8    1    5 o  1403.02   23.575  5329.30  178.733   0.0000   0.0000  5329.30  178.733  ?   ?   1403.02   23.575      ?      ? 
1 1 1    8    1    6 o  2427.44   28.782 16011.91  377.418 16242.78  541.755 15794.19  526.089  2444.32   41.016  2410.55   40.388 33.76367 57.56340 
1 1 1    8    1    7 o  1386.67   16.537  5189.06  123.587  4986.77  167.609  5430.07  182.952  1357.22   22.854  1416.13   23.908 -58.90869 33.07425 
1 1 1    8    1    8 o  1012.08   17.178  2770.75   93.946  2770.75   93.946   0.0000   0.0000  1012.08   17.178  ?   ?       ?      ? 
1 1 1    8    1    9 o  742.394   12.772  1490.18   51.236  1490.18   51.236   0.0000   0.0000  742.394   12.772  ?   ?       ?      ? 
1 1 1    8    1   10 o  738.463   11.054  1468.86   41.325  1457.35   50.211  1493.02   72.754  734.149   12.657  742.777   18.126 -8.628113 22.10802 
1 1 1    8    1   11 o  766.473   9.3128  1588.13   38.561  1566.36   53.775  1611.16   55.324  761.074   13.076  771.872   13.264 -10.79749 18.62565 
1 1 1    8    1   12 o  1402.81   16.686  5329.34  126.427  5238.11  175.558  5427.61  182.216  1390.39   23.367  1415.23   23.827 -24.84595 33.37266 
1 1 1    8    1   13 o  449.106   5.8092  544.908   14.093  535.720   19.619  554.703   20.257  445.198   8.1553  453.014   8.2750 -7.816254 11.61830 
1 1 1    8    1   14 o  811.787   9.8416  1782.92   43.164  1763.40   60.358  1803.35   61.751  807.248   13.837  816.327   13.999 -9.079346 19.68324 
1 1 1    8    1   15 o  329.474   4.6130  293.421   8.2128  294.084   11.615  292.758   11.615  329.847   6.5163  329.102   6.5312 0.7447205 9.226012 
1 1 1    8    1   16 o  1067.19   12.800  3086.76   73.793  3041.79  102.794  3134.58  105.998  1059.20   17.960  1075.18   18.244 -15.97461 25.60100 
1 1 1    8    1   17 o  424.283   5.5753  486.699   12.782  489.275   18.147  484.163   18.008  425.396   7.8943  423.169   7.8750 2.227325 11.15061 
1 1 1    8    1   18 o  220.637   3.7719  131.569   4.4970  131.176   6.3347  131.969   6.3849  220.305   5.3212  220.969   5.3473 -0.6644287 7.543817 
1 1 1    8    1   19 o  531.742   6.7356  764.604   19.350  755.034   27.032  774.658   27.710  528.335   9.4686  535.149   9.5822 -6.814514 13.47122 
1 1 1    8    1   20 o  1116.75   13.402  3384.18   80.843  3331.34  112.479  3440.64  116.274  1107.78   18.790  1125.72   19.115 -17.93274 26.80367 
1 1 1    8    1   21 o  1079.31   12.974  3162.54   75.659  3140.00  106.207  3185.77  107.807  1075.42   18.276  1083.19   18.418 -7.768188 25.94724 
1 1 1    8    1   22 o  686.701   8.4647  1276.29   31.403  1294.25   45.002  1259.25   43.841  691.399   12.045  682.003   11.896 9.395996 16.92949 
1 1 1    8    1   23 o  472.883   6.1428  604.599   15.694  613.821   22.469  595.815   21.929  476.400   8.7281  469.365   8.6462 7.034973 12.28560 
1 1 1    8    1   24 o  423.699   5.6487  485.390   12.932  481.831   18.166  489.047   18.414  422.125   7.9639  425.272   8.0131 -3.146667 11.29745 
1 1 1    8    1   25 o  357.128   5.0242  344.517   9.6909  353.249   13.977  336.432   13.448  361.481   7.1554  352.774   7.0548 8.706665 10.04839 
1 1 1    8    1   26 o  565.045   7.1522  861.746   21.804  894.503   31.932  833.134   29.844  575.074   10.276  555.015   9.9509 20.05859 14.30431 
1 1 1    8    1   27 f  571.960   8.8299  891.511   26.008  906.506   32.368  864.189   43.693  578.932   10.347  564.987   14.311 13.94507 17.65971 
1 1 1    8    1   28 o  694.330   10.552  1299.59   37.094  1289.52   45.078  1320.72   65.283  690.412   12.083  698.249   17.302 -7.836548 21.10372 
1 1 1    8    1   29 o  335.959   6.9795  305.067   12.671   0.0000   0.0000  305.067   12.671  ?   ?   335.959   6.9795      ?      ? 
1 1 1    8    1   30 o  902.375   13.559  2168.90   60.762  2301.80  111.951  2113.40   72.345  921.137   22.491  883.612   15.152 37.52478 27.11888 
1 1 1    8    1   31 o  1609.55   23.540  7094.03  194.175  7154.24  239.926  6979.73  330.578  1621.97   27.374  1597.13   38.304 24.84473 47.08049 
1 1 1    8    1   32 o  509.253   6.6543  700.631   18.300  717.883   26.447  684.783   25.349  515.258   9.4988  503.247   9.3216 12.01166 13.30862 
1 1 1    8    1   33 f  1007.70   12.173  2750.23   66.270  2786.32   94.974  2715.99   92.515  1014.13   17.331  1001.28   17.099 12.84515 24.34621 
1 1 1    8    1   34 o  134.058   5.9206   48.612   4.2871   49.767   6.0270   47.429   6.0993  135.673   8.2210  132.443   8.5225 3.229675 11.84129 
1 1 1    8    1   35 o  390.815   6.8269  409.012   13.534  425.000   23.859  401.427   16.434  396.317   11.141  385.312   7.8931 11.00555 13.65372 
1 1 1    8    1   36 o  439.148   8.5814  514.976   20.203  578.604   31.047  468.243   26.607  462.342   12.427  415.954   11.838 46.38788 17.16289 
1 1 1    8    1   38 o  601.774   10.955  981.632   35.622  982.658   50.668  980.631   50.091  602.074   15.574  601.474   15.412 0.6006470 21.91065 
1 1 1    8    1   39 o  287.832   7.3932  223.994   11.482  227.928   16.765  220.518   15.757  290.200   10.691  285.465   10.215 4.734863 14.78644 
1 1 1    8    1   40 o  917.021   11.189  2282.35   55.443  2288.07   78.665  2276.70   78.153  918.155   15.855  915.888   15.791 2.267517 22.37767 
1 1 1    8    1   41 o  465.370   6.3731  585.782   16.021  596.630   23.019  575.589   22.312  469.542   9.0725  461.198   8.9531 8.344177 12.74628 
1 1 1    8    1   42 o  218.158   5.3272  128.840   6.2766  124.866   8.9192  132.739   8.8342  214.817   7.6837  221.498   7.3809 -6.681564 10.65442 
1 1 1    8    1   43 o  546.032   7.1660  807.409   21.135  822.497   30.417  793.325   29.388  550.948   10.217  541.115   10.051 9.833435 14.33192 
1 1 1    8    1   44 o  306.869   5.2449  254.863   8.6961  255.564   12.400  254.185   12.199  307.280   7.4680  306.457   7.3664 0.8225098 10.48974 
1 1 1    8    1   45 o  135.652   6.5812   49.885   4.8240   49.411   6.8010   50.366   6.8435  135.002   9.3228  136.302   9.2916 -1.299637 13.16235 
1 1 1    8    1   46 o  609.169   7.8359  1008.15   25.793  1012.34   36.651  1004.04   36.306  610.415   11.111  607.923   11.052 2.491638 15.67188 
1 1 1    8    1   47 o  437.204   6.1507  518.459   14.529  524.021   20.741  513.101   20.359  439.499   8.7335  434.909   8.6630 4.589478 12.30132 
1 1 1    8    1   48 o  562.824   7.3637  861.542   22.391  849.821   31.271  873.874   32.074  558.919   10.354  566.729   10.473 -7.809753 14.72750 
1 1 1    8    1   49 o   78.257   10.522   18.435   4.3030   7.7061   6.1813   28.524   5.9939   54.172   18.038  102.342   10.838 -48.17053 21.04389 
1 1 1    8    1   50 o  241.174   5.1601  157.844   6.7247  157.011   9.4978  158.682   9.5226  240.534   7.3073  241.814   7.2877 -1.279907 10.32022 
1 1 1    8    1   51 o  104.696   8.0264   30.153   4.4977   25.402   6.3548   34.922   6.3667   96.283   12.214  113.109   10.417 -16.82619 16.05286 
1 1 1    8    1   52 o  126.973   6.9217   44.089   4.7386   41.597   6.7886   46.457   6.6174  123.414   10.180  130.531   9.3817 -7.116928 13.84340 
1 1 1    8    1   53 o  134.986   6.5992   49.762   4.8124   49.428   6.7246   50.113   6.8900  134.534   9.2501  135.437   9.4144 -0.9032745 13.19831 
1 1 1    8    1   54 o  214.363   5.3176  125.115   6.1586  126.397   8.8037  123.886   8.6185  215.429   7.5626  213.298   7.4775 2.131119 10.63516 
1 1 1    8    1   55 o   61.711   12.255   11.090   4.3259   8.5274   6.1841   13.544   6.0534   55.380   18.023   68.043   16.609 -12.66289 24.50911 
1 1 1    8    1   56 o  261.432   5.3654  186.639   7.5787  188.250   10.667  184.996   10.769  262.597   7.5175  260.267   7.6575 2.329834 10.73077 
1 1 1    8    1   57 o  237.678   5.5328  154.657   7.0988  158.035   9.8916  151.069   10.194  240.434   7.6134  234.921   8.0302 5.512985 11.06566 
1 1 1    8    1   58 o  121.887   7.7762   41.437   5.0865   46.428   7.1466   36.314   7.2411  129.587   10.206  114.188   11.735 15.39876 15.55246 
1 1 1    8    1   59 o  163.781   6.3925   73.937   5.6307   83.693   8.0963   64.798   7.8362  174.402   8.5911  153.160   9.4683 21.24165 12.78497 
1 1 1    8    1   60 o  320.048   5.6409  281.611   9.7545  276.289   13.712  287.064   13.879  316.967   8.0057  323.129   7.9489 -6.161682 11.28173 
1 1 1    8    1   61 o   85.300   11.057   21.389   4.9579   25.228   7.1541   17.842   6.8773   93.880   14.102   76.721   17.033 17.15890 22.11325 
1 1 1    8    1   62 o  127.964   7.6181   45.843   5.2579   49.897   7.5927   42.109   7.2881  133.496   10.525  122.432   11.016 11.06423 15.23624 
1 1 1    8    1   63 o   96.761   10.828   28.020   5.3950   21.574   7.6249   34.483   7.6345   83.742   17.418  109.781   12.870 -26.03893 21.65649 
1 1 1    8    1   64 o   45.812   14.355  -2.0324   7.7333   6.4595   9.9332 -15.0991   12.322   52.943   21.717   38.681   18.779 14.26122 28.71002 
1 1 1    8    1   65 o  371.385   12.540  396.622   25.165  396.622   25.165   0.0000   0.0000  371.385   12.540  ?   ?       ?      ? 
1 1 1    8    1   66 o   43.954   20.651  -5.5270   12.506  -5.5270   12.506   0.0000   0.0000   43.954   20.651  ?   ?       ?      ? 
1 1 1    8    1   67 o  165.108   10.805   83.134   9.6083   91.532   14.284   76.194   12.985  172.632   15.312  157.583   15.249 15.04913 21.61017 
1 1 1    8    1   68 o  151.618   8.0861   68.014   6.6220   69.611   9.3219   66.387   9.4085  153.652   11.227  149.584   11.640 4.068161 16.17222 
1 1 1    8    2    3 o  918.274   11.042  2279.94   54.783  2301.71   78.249  2259.01   76.723  922.568   15.696  913.979   15.535 8.589172 22.08379 
1 1 1    8    2    6 o  1137.31   27.225  3504.50  167.316   0.0000   0.0000  3504.50  167.316  ?   ?   1137.31   27.225      ?      ? 
1 1 1    8    2    7 o  792.751   19.311  1700.45   82.724   0.0000   0.0000  1700.45   82.724  ?   ?   792.751   19.311      ?      ? 
1 1 1    8    2   10 o  867.243   14.843  2036.24   69.551  2018.47   97.415  2054.73   99.332  863.393   20.880  871.093   21.103 -7.700317 29.68659 
1 1 1    8    2   11 o  352.694   5.9747  330.210   10.463  321.408   12.453  351.351   19.299  344.865   6.6822  360.522   9.9064 -15.65710 11.94940 
1 1 1    8    2   12 o  710.182   10.683  1358.25   38.358  1347.15   46.546  1381.76   67.715  705.833   12.204  714.532   17.538 -8.699463 21.36609 
1 1 1    8    2   13 o  679.901   8.3451  1250.09   30.659  1245.92   43.210  1254.33   43.508  678.759   11.781  681.044   11.822 -2.284485 16.69024 
1 1 1    8    2   14 o  569.174   7.1164  875.825   21.883  887.862   31.339  864.372   30.570  572.986   10.122  565.361   10.006 7.624817 14.23282 
1 1 1    8    2   15 o  395.572   5.2699  422.770   11.260  414.649   15.652  431.480   16.210  391.639   7.3960  399.505   7.5090 -7.865814 10.53975 
1 1 1    8    2   16 o  659.077   8.1313  1175.15   28.955  1186.07   41.340  1164.64   40.569  662.077   11.555  656.078   11.443 5.999817 16.26255 
1 1 1    8    2   17 o  920.349   11.104  2294.26   55.209  2263.44   76.973  2326.91   79.230  914.005   15.585  926.692   15.822 -12.68732 22.20877 
1 1 1    8    2   18 o  363.300   4.9810  356.819   9.7784  356.269   13.791  357.374   13.866  363.019   7.0306  363.581   7.0578 -0.5617371 9.962040 
1 1 1    8    2   19 o  1079.88   12.967  3163.56   75.651  3130.08  105.811  3198.57  108.202  1074.06   18.231  1085.70   18.443 -11.63367 25.93316 
1 1 1    8    2   20 o  735.696   9.0085  1465.20   35.805  1447.24   50.005  1484.10   51.292  731.082   12.658  740.311   12.822 -9.228210 18.01706 
1 1 1    8    2   21 o  195.191   3.7581  102.976   3.9624  106.736   5.6332   99.294   5.5747  198.719   5.2460  191.664   5.3826 7.055023 7.516189 
1 1 1    8    2   22 o  197.430   3.8265  105.284   4.0799  103.368   5.6554  107.363   5.8915  195.559   5.3517  199.300   5.4705 -3.741470 7.652974 
1 1 1    8    2   23 o  254.552   4.1554  175.150   5.7157  175.172   8.0886  175.127   8.0780  254.569   5.8800  254.536   5.8731 0.3262329E-01 8.310711 
1 1 1    8    2   24 o  895.176   10.848  2170.79   52.457  2201.58   75.273  2141.71   73.144  901.326   15.455  889.026   15.226 12.30035 21.69519 
1 1 1    8    2   25 o  633.746   7.8949  1084.57   26.997  1123.40   39.492  1050.51   36.990  644.360   11.342  623.133   10.985 21.22693 15.78982 
1 1 1    8    2   26 o  604.265   7.5802  986.992   24.738  1008.53   35.703  967.100   34.308  610.596   10.821  597.935   10.618 12.66064 15.16032 
1 1 1    8    2   27 o  696.251   10.553  1314.17   37.494  1317.48   46.030  1307.66   64.637  697.800   12.207  694.701   17.218 3.098877 21.10671 
1 1 1    8    2   28 o  233.683   5.3793  144.543   6.2276  155.270   11.557  140.154   7.3927  239.644   8.9249  227.723   6.0077 11.92177 10.75858 
1 1 1    8    2   29 o  946.331   14.138  2401.47   67.040  2495.50  120.948  2359.77   80.545  959.029   23.339  933.634   15.965 25.39575 28.27697 
1 1 1    8    2   30 o  1100.05   16.207  3278.14   90.639  3299.55  157.821  3267.60  110.720  1101.93   26.505  1098.17   18.658 3.762939 32.41341 
1 1 1    8    2   31 o  367.895   5.3419  365.529   10.614  355.665   14.721  376.209   15.318  362.731   7.5103  373.058   7.5987 -10.32669 10.68385 
1 1 1    8    2   32 o  374.732   6.5579  379.678   12.571  379.651   15.460  379.730   21.594  374.759   7.6343  374.706   10.665 0.5297852E-01 13.11580 
1 1 1    8    2   33 o  854.309   10.424  1975.82   48.122  1984.22   68.361  1967.56   67.751  856.106   14.777  852.512   14.707 3.594421 20.84872 
1 1 1    8    2   34 o  819.320   12.289  1816.97   51.267  1827.03   88.986  1811.97   62.722  820.581   20.068  818.060   14.189 2.521423 24.57775 
1 1 1    8    2   35 o  636.255   11.324  1096.83   38.921  1084.69   54.283  1109.69   55.836  632.647   15.879  639.863   16.149 -7.215820 22.64770 
1 1 1    8    2   36 o  599.904   10.788  974.612   34.962  992.793   50.160  957.432   48.758  605.334   15.335  594.473   15.179 10.86108 21.57629 
1 1 1    8    2   37 o  766.781   9.5075  1592.20   39.392  1602.93   56.047  1581.73   55.375  769.328   13.482  764.234   13.409 5.094116 19.01498 
1 1 1    8    2   38 o  678.660   12.150  1249.37   44.555  1253.83   63.483  1245.05   62.547  679.837   17.281  677.483   17.085 2.354553 24.30089 
1 1 1    8    2   39 o  477.706   9.2760  617.969   23.929  625.000   34.549  611.487   33.175  480.298   13.312  475.115   12.922 5.182892 18.55198 
1 1 1    8    2   40 o  590.696   9.4606  936.560   27.972  970.270   50.522  921.659   33.590  597.935   15.637  583.456   10.654 14.47888 18.92126 
1 1 1    8    2   41 o  156.379   6.0560   66.155   5.1094   61.249   7.1488   71.279   7.3052  150.446   8.7936  162.311   8.3291 -11.86441 12.11200 
1 1 1    8    2   42 o  312.575   5.2853  264.334   8.9266  267.843   12.687  260.894   12.562  314.629   7.4623  310.520   7.4867 4.109863 10.57054 
1 1 1    8    2   43 o  359.390   5.5322  349.516   10.742  352.775   15.337  346.378   15.051  361.031   7.8616  357.749   7.7856 3.282166 11.06440 
1 1 1    8    2   44 o  267.238   5.1927  193.152   7.4935  197.006   10.837  189.620   10.374  269.785   7.4334  264.691   7.2527 5.094055 10.38540 
1 1 1    8    2   45 o  198.111   5.4015  106.279   5.7806  106.681   8.2870  105.898   8.0675  198.470   7.7270  197.751   7.5498 0.7184601 10.80308 
1 1 1    8    2   46 o  238.855   5.1614  154.508   6.6615  152.951   9.3696  156.100   9.4727  237.638   7.2965  240.072   7.3020 -2.433609 10.32274 
1 1 1    8    2   47 o  208.286   5.3123  117.557   5.9785  119.715   8.5179  115.462   8.3932  210.171   7.5002  206.402   7.5253 3.769135 10.62465 
1 1 1    8    2   48 o  286.116   5.1759  221.933   8.0022  220.329   11.285  223.556   11.349  285.076   7.3260  287.157   7.3137 -2.081848 10.35183 
1 1 1    8    2   49 o  322.795   5.3455  282.231   9.3158  292.137   13.525  273.288   12.850  328.166   7.6269  317.424   7.4918 10.74118 10.69091 
1 1 1    8    2   50 o  326.504   5.3700  289.353   9.4728  293.860   13.550  285.044   13.249  328.985   7.6219  324.024   7.5667 4.960632 10.74000 
1 1 1    8    2   51 o  165.033   5.8050   74.041   5.1643   67.319   7.2102   81.122   7.4005  157.308   8.4822  172.758   7.9275 -15.45001 11.60999 
1 1 1    8    2   52 o  333.592   5.4232  302.531   9.7757  299.944   13.795  305.141   13.855  332.154   7.6860  335.029   7.6530 -2.874512 10.84633 
1 1 1    8    2   53 o  255.254   5.2214  177.240   7.2014  180.186   10.248  174.365   10.122  257.353   7.3692  253.155   7.3992 4.198563 10.44286 
1 1 1    8    2   54 o  119.961   7.3709   39.565   4.7637   36.228   6.7562   42.865   6.7178  114.837   10.888  125.086   9.9388 -10.24929 14.74173 
1 1 1    8    2   55 o  156.917   6.0674   67.301   5.1442   67.868   7.3351   66.753   7.2164  157.559   8.6154  156.274   8.5457 1.285217 12.13481 
1 1 1    8    2   56 o  112.481   7.6109   34.907   4.6243   36.229   6.5951   33.628   6.4858  114.600   10.650  110.362   10.876 4.237808 15.22188 
1 1 1    8    2   57 o   84.217   10.637   20.700   4.6349   14.861   6.5255   26.645   6.5844   70.690   17.238   97.744   12.466 -27.05441 21.27351 
1 1 1    8    2   58 o  204.778   5.6300  114.978   6.2089  103.148   8.6936  127.294   8.8704  193.896   8.2974  215.659   7.6119 -21.76247 11.26001 
1 1 1    8    2   59 o   95.059   9.2065   25.359   4.7193   27.607   6.9108   23.395   6.4601   99.023   12.915   91.096   13.124 7.927017 18.41298 
1 1 1    8    2   60 o  230.480   5.4941  146.019   6.8360  138.371   9.6447  153.741   9.6907  224.318   7.9568  236.641   7.5784 -12.32277 10.98826 
1 1 1    8    2   61 o   70.669   12.489   15.182   4.8226   19.142   6.9917   11.588   6.6607   79.652   16.774   61.686   18.508 17.96590 24.97821 
1 1 1    8    2   62 o  241.029   5.5898  160.173   7.2791  163.544   10.410  156.947   10.182  243.505   7.9118  238.552   7.8986 4.953781 11.17965 
1 1 1    8    2   63 o   84.042   13.666   22.476   5.9328   21.435   9.7518   23.088   7.4753   80.882   21.813   87.202   16.468 -6.320107 27.33104 
1 1 1    8    2   64 o   64.301   16.409   13.297   7.3949   9.6509   10.103   17.504   10.854   57.723   22.486   70.879   23.904 -13.15580 32.81769 
1 1 1    8    2   66 o   76.727   17.344   22.751   8.3828   17.176   12.041   27.995   11.678   67.249   24.928   86.204   24.121 -18.95473 34.68744 
1 1 1    8    2   67 o   49.901   15.538   2.8469   8.2366   7.9504   11.999  -1.7011   11.327   55.085   23.323   44.717   20.537 10.36766 31.07603 
1 1 1    8    2   68 o   84.843   15.699   27.930   7.1235   26.126   12.556   28.786   8.6505   77.619   25.702   92.067   18.033 -14.44816 31.39705 
1 1 1    8    3    0 o  1069.92   12.809  3095.70   74.039  3056.92  103.385  3136.52  106.081  1063.05   17.998  1076.79   18.231 -13.73462 25.61840 
1 1 1    8    3    1 o  309.191   4.4458  258.331   7.4277  258.253   10.542  258.408   10.467  309.145   6.3105  309.238   6.2641 -0.9262085E-01 8.891645 
1 1 1    8    3    2 o  1146.76   13.695  3557.35   84.853  3592.09  121.200  3523.94  118.835  1152.24   19.466  1141.28   19.269 10.96619 27.39012 
1 1 1    8    3    4 o  1907.84   22.632  9866.68  233.225 10038.54  335.565  9706.09  324.380  1923.84   32.279  1891.83   31.731 32.00244 45.26349 
1 1 1    8    3    6 o  1071.31   12.847  3104.10   74.355  3140.98  106.525  3069.07  103.833  1077.50   18.296  1065.11   18.041 12.38733 25.69419 
1 1 1    8    3    7 o  353.535   10.034  337.838   19.170   0.0000   0.0000  337.838   19.170  ?   ?   353.535   10.034      ?      ? 
1 1 1    8    3    8 o  224.591   5.6899  136.304   6.9054   0.0000   0.0000  136.304   6.9054  ?   ?   224.591   5.6899      ?      ? 
1 1 1    8    3   10 o  1238.76   20.951  4158.88  140.084  4049.55  192.653  4281.53  204.056  1221.59   29.185  1255.92   30.068 -34.33447 41.90272 
1 1 1    8    3   11 o  1237.29   29.614  4155.40  197.995   0.0000   0.0000  4155.40  197.995  ?   ?   1237.29   29.614      ?      ? 
1 1 1    8    3   12 o  719.909   17.683  1402.93   68.791   0.0000   0.0000  1402.93   68.791  ?   ?   719.909   17.683      ?      ? 
1 1 1    8    3   13 o  696.958   8.5433  1313.89   32.174  1306.76   45.264  1321.18   45.742  695.048   12.052  698.867   12.113 -3.819824 17.08667 
1 1 1    8    3   14 o  950.364   11.448  2446.39   58.782  2467.88   83.895  2425.66   82.386  954.451   16.267  946.276   16.112 8.174744 22.89528 
1 1 1    8    3   15 o  200.608   5.0708  108.762   5.4969  108.762   5.4969   0.0000   0.0000  200.608   5.0708  ?   ?       ?      ? 
1 1 1    8    3   16 o  835.710   10.131  1891.02   45.744  1872.87   64.052  1909.91   65.350  831.628   14.253  839.792   14.401 -8.164063 20.26180 
1 1 1    8    3   17 o  641.421   7.9407  1113.02   27.518  1125.26   39.335  1101.29   38.512  644.870   11.288  637.972   11.171 6.897766 15.88133 
1 1 1    8    3   18 o  304.617   4.4433  250.811   7.3136  253.167   10.396  248.502   10.291  306.033   6.2862  303.201   6.2813 2.832306 8.886600 
1 1 1    8    3   19 o  346.791   4.8422  325.113   9.0737  327.555   12.896  322.718   12.769  348.080   6.8562  345.501   6.8396 2.579071 9.684399 
1 1 1    8    3   20 o  583.542   7.3189  921.427   23.078  919.756   32.596  923.106   32.680  583.012   10.347  584.072   10.355 -1.060120 14.63783 
1 1 1    8    3   21 o  635.947   7.9007  1094.62   27.149  1087.44   38.137  1101.99   38.657  633.838   11.135  638.057   11.212 -4.219055 15.80149 
1 1 1    8    3   22 o  613.077   7.6567  1017.08   25.364  1023.59   36.081  1010.71   35.664  615.014   10.857  611.140   10.800 3.873901 15.31338 
1 1 1    8    3   23 o  773.445   9.4555  1619.94   39.516  1631.10   56.256  1609.08   55.521  776.067   13.415  770.823   13.330 5.244019 18.91109 
1 1 1    8    3   24 o  776.081   9.4881  1630.80   39.788  1639.69   56.586  1622.10   55.957  778.169   13.457  773.993   13.379 4.175842 18.97616 
1 1 1    8    3   25 o  368.317   5.1603  366.699   10.270  369.781   14.620  363.697   14.429  369.844   7.3152  366.790   7.2802 3.053833 10.32054 
1 1 1    8    3   26 o  1027.18   15.125  2882.69   79.948  2926.81   99.391  2801.80  134.567  1039.14   17.700  1015.22   24.530 23.92255 30.24914 
1 1 1    8    3   27 o  393.422   5.4251  416.416   11.497  443.115   17.109  394.433   15.525  404.861   7.8204  381.982   7.5212 22.87814 10.85022 
1 1 1    8    3   28 o  350.784   6.3875  327.640   11.102  345.270   20.508  320.331   13.205  357.313   10.621  344.255   7.0984 13.05777 12.77496 
1 1 1    8    3   29 o  593.359   7.4937  951.859   24.023  962.935   34.366  941.275   33.594  596.731   10.658  589.987   10.537 6.743713 14.98747 
1 1 1    8    3   30 o  346.716   6.1302  319.049   10.783  342.117   19.140  308.322   13.052  355.695   9.9583  337.738   7.1517 17.95682 12.26031 
1 1 1    8    3   31 f  1188.89   17.546  3810.00  105.094  3921.17  187.219  3758.85  126.988  1200.33   28.864  1177.45   19.959 22.88049 35.09270 
1 1 1    8    3   32 o  1071.84   15.732  3144.00   87.198  3211.78  109.207  3024.77  144.837  1088.63   18.565  1055.06   25.405 33.57043 31.46495 
1 1 1    8    3   33 o  1037.09   17.708  2923.03   99.230  2948.20  141.470  2898.65  139.221  1041.46   25.138  1032.72   24.948 8.742310 35.41642 
1 1 1    8    3   34 f  836.270   14.459  1895.28   65.263  1956.76   95.096  1840.54   89.731  849.018   20.728  823.523   20.164 25.49463 28.91771 
1 1 1    8    3   35 f  486.759   7.9246  643.717   19.839  649.667   24.604  632.658   33.543  490.104   9.2904  483.414   12.841 6.689667 15.84927 
1 1 1    8    3   36 o  506.301   6.7310  693.271   18.414  699.316   26.218  687.385   25.869  508.478   9.5419  504.124   9.4962 4.353546 13.46195 
1 1 1    8    3   37 o  368.210   5.5715  366.425   11.081  373.320   15.940  359.975   15.416  371.559   7.9391  364.862   7.8191 6.697021 11.14306 
1 1 1    8    3   38 o  616.944   9.7191  1033.23   30.593  1037.76   37.572  1024.32   52.701  619.219   11.229  614.668   15.867 4.551147 19.43826 
1 1 1    8    3   39 o  261.734   7.6774  184.845   10.828  193.221   16.043  177.838   14.675  267.149   11.114  256.318   10.595 10.83096 15.35472 
1 1 1    8    3   40 o  252.928   7.6814  172.829   10.466  177.860   15.513  168.626   14.179  256.283   11.202  249.575   10.513 6.707916 15.36272 
1 1 1    8    3   41 o  244.748   5.1960  161.992   6.8643  151.807   9.6128  172.590   9.8053  236.894   7.5094  252.603   7.1835 -15.70911 10.39201 
1 1 1    8    3   42 o  451.243   6.2710  550.838   15.281  563.157   22.091  539.535   21.161  456.067   8.9639  446.419   8.7722 9.647675 12.54207 
1 1 1    8    3   43 o  774.911   9.6195  1630.78   40.275  1645.41   57.511  1616.69   56.419  778.302   13.675  771.521   13.533 6.780090 19.23897 
1 1 1    8    3   44 o  483.532   6.5752  633.436   17.177  639.815   24.577  627.345   24.016  485.901   9.3603  481.162   9.2367 4.739532 13.15036 
1 1 1    8    3   45 o  536.923   7.0963  781.932   20.585  791.827   29.477  772.514   28.758  540.224   10.098  533.623   9.9734 6.601318 14.19264 
1 1 1    8    3   46 o  263.511   5.1819  188.013   7.3754  190.334   10.616  185.848   10.254  265.074   7.4116  261.947   7.2442 3.126984 10.36389 
1 1 1    8    3   47 o  488.347   6.6282  647.451   17.488  654.674   25.010  640.541   24.462  490.998   9.4265  485.696   9.3205 5.301453 13.25631 
1 1 1    8    3   48 o   98.830   8.4026   26.617   4.4839   28.107   6.4110   25.190   6.2737  101.552   11.683   96.109   12.080 5.442871 16.80528 
1 1 1    8    3   49 o  184.351   5.5911   92.144   5.5656   97.265   7.9970   87.334   7.7506  189.323   7.8170  179.379   7.9960 9.943832 11.18219 
1 1 1    8    3   50 o  222.669   5.1965  134.223   6.2435  141.740   9.1328  127.628   8.5548  228.499   7.3966  216.839   7.3010 11.66006 10.39301 
1 1 1    8    3   51 o  379.262   5.7249  391.009   11.730  395.404   16.797  386.825   16.388  381.325   8.1518  377.199   8.0402 4.126404 11.44972 
1 1 1    8    3   52 o  264.227   5.2286  189.517   7.4607  196.964   10.779  182.668   10.337  269.201   7.4099  259.254   7.3787 9.946991 10.45713 
1 1 1    8    3   53 o  393.957   5.8949  422.173   12.530  440.013   18.357  406.611   17.144  401.679   8.4571  386.234   8.2145 15.44534 11.78988 
1 1 1    8    3   54 o  244.488   5.3040  162.831   7.0058  159.305   9.9178  166.344   9.8977  241.823   7.5898  247.154   7.4110 -5.331879 10.60793 
1 1 1    8    3   55 o  213.349   5.4189  123.965   6.2422  130.005   9.0421  118.466   8.6280  218.305   7.6651  208.393   7.6620 9.912292 10.83787 
1 1 1    8    3   56 o  151.081   6.3378   62.730   5.1621   58.852   7.3792   66.446   7.2239  146.406   9.3274  155.756   8.5831 -9.349579 12.67558 
1 1 1    8    3   57 o  123.689   7.4095   42.402   4.9321   38.073   6.9730   46.737   6.9772  117.209   11.010  130.171   9.9193 -12.96207 14.81900 
1 1 1    8    3   58 o  290.824   5.3965  230.815   8.4650  243.375   12.442  219.992   11.550  298.120   7.7236  283.527   7.5388 14.59344 10.79296 
1 1 1    8    3   59 o  206.803   5.5964  117.217   6.2454  120.902   9.1232  113.968   8.5675  209.801   8.0474  203.805   7.7795 5.996216 11.19286 
1 1 1    8    3   60 f  214.184   5.6091  126.228   6.4887  123.554   9.2508  128.817   9.1039  211.880   8.0798  216.488   7.7822 -4.608353 11.21815 
1 1 1    8    3   61 o  140.592   7.1353   55.199   5.3883   48.344   7.6075   62.099   7.6328  131.546   10.702  149.638   9.4397 -18.09129 14.27050 
1 1 1    8    3   62 o   40.386   12.663  -1.0674   5.5397  -5.1374   8.9396   1.4698   7.0582   38.894   17.999   41.879   17.816 -2.985088 25.32568 
1 1 1    8    3   63 o   84.577   15.213   23.088   7.2459   14.813   9.8838   32.703   10.654   67.644   22.811  101.510   20.134 -33.86567 30.42530 
1 1 1    8    3   64 o   88.754   15.450   26.604   7.4709   20.615   10.372   33.063   10.770   77.043   23.091  100.465   20.533 -23.42188 30.89929 
1 1 1    8    3   65 f   99.080   15.839   29.231   8.4802   29.231   8.4802   0.0000   0.0000   99.080   15.839  ?   ?       ?      ? 
1 1 1    8    3   66 o  139.234   10.028   55.608   7.2716   46.717   8.9414   72.973   12.496  124.745   13.265  153.723   15.043 -28.97822 20.05631 
1 1 1    8    3   67 o   83.781   16.527   27.313   8.6340   14.577   13.008   37.342   11.543   63.663   25.296  103.900   21.276 -40.23726 33.05376 
1 1 1    8    3   68 o  103.389   15.833   41.541   8.9887   26.757   12.826   55.811   12.601   77.912   25.985  128.866   18.095 -50.95452 31.66523 
1 1 1    8    4    0 o  1598.18   18.967  6919.34  163.795  6904.48  231.143  6934.33  232.141  1596.46   26.794  1599.90   26.852 -3.437988 37.93316 
1 1 1    8    4    1 o  652.319   8.0614  1149.65   28.405  1129.54   39.525  1171.13   40.850  646.425   11.315  658.214   11.485 -11.78967 16.12282 
1 1 1    8    4    2 o  1475.38   24.832  5894.90  197.971   0.0000   0.0000  5894.90  197.971  ?   ?   1475.38   24.832      ?      ? 
1 1 1    8    4    4 o  1121.94   13.420  3404.71   81.342  3449.63  116.586  3362.10  113.545  1129.13   19.108  1114.74   18.850 14.39478 26.84082 
1 1 1    8    4    5 o  1384.96   16.481  5193.72  123.333  5161.99  173.315  5226.28  175.545  1380.69   23.230  1389.24   23.384 -8.550293 32.96157 
1 1 1    8    4    8 o  595.123   10.536  957.446   33.882   0.0000   0.0000  957.446   33.882  ?   ?   595.123   10.536      ?      ? 
1 1 1    8    4    9 o  1351.94   22.772  4951.47  166.360   0.0000   0.0000  4951.47  166.360  ?   ?   1351.94   22.772      ?      ? 
1 1 1    8    4   10 o  587.618   14.752  934.009   46.840  934.009   46.840   0.0000   0.0000  587.618   14.752  ?   ?       ?      ? 
1 1 1    8    4   11 o  421.342   7.8511  479.831   17.875   0.0000   0.0000  479.831   17.875  ?   ?   421.342   7.8511      ?      ? 
1 1 1    8    4   12 o  1353.21   16.145  4965.24  118.012  4887.85  164.175  5047.98  169.754  1342.35   22.634  1364.06   23.030 -21.71533 32.29034 
1 1 1    8    4   13 o  187.394   5.0080   94.902   5.0711   0.0000   0.0000   94.902   5.0711  ?   ?   187.394   5.0080      ?      ? 
1 1 1    8    4   14 o  496.602   6.3689  664.886   17.057  636.739   23.243  697.731   25.108  485.255   8.8642  507.950   9.1477 -22.69543 12.73789 
1 1 1    8    4   15 o  645.038   7.9818  1125.60   27.818  1114.95   39.013  1136.61   39.677  641.939   11.247  648.138   11.329 -6.198792 15.96358 
1 1 1    8    4   16 o  163.726   4.9206   72.446   4.3534   0.0000   0.0000   72.446   4.3534  ?   ?   163.726   4.9206      ?      ? 
1 1 1    8    4   17 o  1238.08   14.821  4163.75   99.152  4168.32  140.391  4159.20  140.054  1238.76   20.973  1237.41   20.946 1.348022 29.64110 
1 1 1    8    4   18 o  295.943   4.3921  236.508   7.0197  229.811   9.7261  243.790   10.141  291.575   6.1731  300.310   6.2495 -8.735504 8.784235 
1 1 1    8    4   19 f  850.398   10.328  1959.36   47.456  1942.78   66.559  1976.51   67.681  846.748   14.547  854.048   14.666 -7.300110 20.65638 
1 1 1    8    4   20 o  216.573   3.8884  126.567   4.5466  120.349   6.2871  133.383   6.5828  211.006   5.5140  222.139   5.4840 -11.13316 7.776814 
1 1 1    8    4   21 o  567.714   7.1663  872.054   21.984  873.903   31.173  870.224   31.008  568.312   10.151  567.117   10.118 1.195007 14.33269 
1 1 1    8    4   22 o  136.564   5.6077   50.409   4.1382   0.0000   0.0000   50.409   4.1382  ?   ?   136.564   5.6077      ?      ? 
1 1 1    8    4   23 o  409.880   5.5344  453.686   12.247  467.829   17.776  440.907   16.898  415.949   7.9088  403.810   7.7440 12.13907 11.06880 
1 1 1    8    4   24 o  258.134   4.2547  179.934   5.9320  186.471   8.5438  173.849   8.2424  262.656   6.0197  253.611   6.0145 9.044968 8.509454 
1 1 1    8    4   25 o  704.438   10.698  1343.55   38.317  1342.82   46.836  1345.05   66.633  704.430   12.304  704.447   17.505 -0.1702881E-01 21.39643 
1 1 1    8    4   26 f  1017.73   12.293  2800.73   67.479  2712.58   92.127  2902.75   99.115  1000.55   17.040  1034.91   17.723 -34.35675 24.58592 
1 1 1    8    4   27 o  430.409   7.2415  504.223   15.823  491.441   27.414  510.609   19.377  426.222   11.903  434.595   8.2512 -8.373047 14.48292 
1 1 1    8    4   28 o  714.848   8.8261  1382.27   34.091  1390.58   48.526  1374.16   47.905  716.968   12.525  712.729   12.439 4.238892 17.65212 
1 1 1    8    4   29 o  1078.49   12.969  3149.31   75.550  3204.38  108.780  3098.00  105.007  1087.56   18.510  1069.41   18.171 18.15149 25.93870 
1 1 1    8    4   30 o  171.425   4.5076   79.338   4.1680   86.212   5.9974   72.917   5.7967  178.601   6.2142  164.250   6.5312 14.35127 9.015147 
1 1 1    8    4   31 o  383.019   6.5226  398.212   12.935  391.216   21.553  402.151   16.171  380.338   10.487  385.701   7.7590 -5.363068 13.04527 
1 1 1    8    4   32 o  749.730   13.016  1523.31   52.731  1523.42   74.500  1523.20   74.647  749.760   18.389  749.700   18.426 0.6005859E-01 26.03205 
1 1 1    8    4   33 o  466.181   8.6990  588.034   21.912  585.586   30.810  590.541   31.171  465.201   12.256  467.160   12.348 -1.958771 17.39808 
1 1 1    8    4   34 o  165.648   5.9726   74.867   5.1834   77.076   6.6228   71.374   8.3276  168.849   7.2586  162.448   9.4867 6.400894 11.94511 
1 1 1    8    4   35 o  993.056   12.037  2673.39   64.586  2696.89   92.194  2650.75   90.507  997.324   17.107  988.789   16.939 8.535706 24.07466 
1 1 1    8    4   36 o  943.744   11.479  2413.95   58.535  2430.68   83.370  2397.69   82.204  946.958   16.293  940.531   16.175 6.426392 22.95794 
1 1 1    8    4   37 o  555.432   7.2501  834.622   21.758  841.906   31.045  827.590   30.503  557.810   10.300  553.055   10.207 4.755493 14.50013 
1 1 1    8    4   38 o   75.044   14.333   15.370   5.5403   14.945   6.5466   16.441   10.400   72.778   16.960   77.309   23.111 -4.530930 28.66641 
1 1 1    8    4   39 o  468.597   9.3011  591.585   23.446  630.856   35.229  560.360   31.414  482.435   13.514  454.759   12.784 27.67673 18.60224 
1 1 1    8    4   40 o  216.914   8.0598  127.333   9.4278  128.874   13.817  125.991   12.896  218.126   11.723  215.702   11.064 2.423935 16.11951 
1 1 1    8    4   41 o  422.011   6.0412  480.920   13.754  500.483   20.153  463.862   18.819  430.016   8.6731  414.006   8.4119 16.00989 12.08232 
1 1 1    8    4   42 o  428.578   6.0844  497.247   14.090  497.848   19.998  496.654   19.857  428.832   8.6300  428.323   8.5792 0.5095825 12.16882 
1 1 1    8    4   43 o  181.421   5.6310   88.526   5.5002   99.597   8.1285   79.176   7.4700  191.822   7.8420  171.020   8.0832 20.80099 11.26206 
1 1 1    8    4   44 o  104.667   8.0889   29.732   4.5432   34.602   6.5601   25.243   6.2979  112.931   10.750   96.403   12.090 16.52794 16.17785 
1 1 1    8    4   45 o  250.183   5.1417  169.515   6.9502  167.046   9.8535  171.960   9.8048  248.364   7.3420  252.002   7.2002 -3.637878 10.28338 
1 1 1    8    4   46 o  110.143   7.7656   33.567   4.5319   26.919   6.5627   39.628   6.2659   99.452   12.212  120.835   9.5963 -21.38333 15.53115 
1 1 1    8    4   47 o  496.234   6.7248  668.977   18.032  668.060   25.523  669.891   25.480  495.890   9.5250  496.578   9.4955 -0.6876831 13.44958 
1 1 1    8    4   48 o  179.067   5.6925   87.027   5.5061   88.710   7.7347   85.298   7.8400  180.835   7.9153  177.299   8.1832 3.536636 11.38495 
1 1 1    8    4   49 o  300.287   5.2608  244.532   8.5341  249.222   12.247  240.104   11.899  303.078   7.4779  297.495   7.4018 5.582886 10.52163 
1 1 1    8    4   50 o  184.811   5.5580   92.782   5.5434   99.238   7.9162   86.571   7.7650  191.143   7.6643  178.480   8.0512 12.66347 11.11591 
1 1 1    8    4   51 o  318.273   5.4203  275.100   9.3162  280.192   13.459  270.416   12.909  321.076   7.7572  315.469   7.5726 5.607025 10.84055 
1 1 1    8    4   52 o  265.542   7.5883  191.751   10.888   0.0000   0.0000  191.751   10.888  ?   ?   265.542   7.5883      ?      ? 
1 1 1    8    4   53 o  216.259   5.4861  127.116   6.4024  132.379   9.3549  122.479   8.7810  220.439   7.8535  212.078   7.6623 8.361526 10.97215 
1 1 1    8    4   54 o  107.072   10.979   31.521   6.3520   0.0000   0.0000   31.521   6.3520  ?   ?   107.072   10.979      ?      ? 
1 1 1    8    4   55 o  205.186   5.5082  114.910   6.1064  117.590   8.6996  112.308   8.5732  207.553   7.7568  202.820   7.8225 4.733032 11.01633 
1 1 1    8    4   56 o  121.232   7.2584   40.137   4.7333   45.403   7.0781   35.878   6.3661  128.374   10.203  114.090   10.326 14.28445 14.51689 
1 1 1    8    4   57 o   77.447   11.175   17.573   4.5154   19.125   6.5618   16.178   6.2231   80.834   15.587   74.060   16.016 6.773361 22.34918 
1 1 1    8    4   58 o  142.619   6.6558   56.202   5.1079   54.573   7.5097   57.604   6.9680  140.544   9.8883  144.695   8.9118 -4.150314 13.31161 
1 1 1    8    4   59 o  214.446   5.5980  126.291   6.4826  120.277   9.1131  132.451   9.2234  209.214   8.0610  219.678   7.7699 -10.46382 11.19600 
1 1 1    8    4   60 o  137.178   7.0760   52.742   5.2003   47.270   7.5736   57.623   7.1531  130.082   10.775  144.275   9.1753 -14.19324 14.15190 
1 1 1    8    4   61 o  195.100   6.9043  102.937   6.9835  115.811   11.936   96.236   8.6112  203.489   10.855  186.710   8.5351 16.77852 13.80853 
1 1 1    8    4   62 o   74.104   15.327   17.873   6.9427   24.595   9.5860   10.457   10.069   87.731   20.577   60.476   22.721 27.25573 30.65323 
1 1 1    8    4   63 o   50.893   14.843   3.8324   6.9570   9.7072   9.7056  -2.3761   9.9775   58.360   22.219   43.426   19.687 14.93441 29.68566 
1 1 1    8    4   64 f  145.360   7.7745   60.079   6.1051   58.324   8.5953   61.865   8.6731  143.140   11.113  147.581   10.876 -4.440399 15.54899 
1 1 1    8    4   65 o  119.122   9.6006   41.582   6.0537   32.349   8.5009   51.082   8.6228  104.634   15.035  133.611   11.943 -28.97678 19.20129 
1 1 1    8    4   66 o   71.666   14.382   18.465   5.8376   17.542   8.3473   19.348   8.1669   69.531   20.687   73.801   19.986 -4.269951 28.76433 
1 1 1    8    4   67 o  113.086   15.620   44.666   9.1563   48.198   13.806   41.892   12.234  116.302   22.783  109.871   21.375 6.430962 31.24072 
1 1 1    8    5    0 o  2786.76   33.094 21168.22  498.339 21260.54  707.988 21077.57  701.570  2792.72   46.915  2780.80   46.689 11.92505 66.18806 
1 1 1    8    5    1 o  823.538   14.154  1833.93   62.988   0.0000   0.0000  1833.93   62.988  ?   ?   823.538   14.154      ?      ? 
1 1 1    8    5    2 o  142.969   5.5401   55.233   4.2800   55.233   4.2800   0.0000   0.0000  142.969   5.5401  ?   ?       ?      ? 
1 1 1    8    5    6 o  1803.04   30.313  8824.04  295.339   0.0000   0.0000  8824.04  295.339  ?   ?   1803.04   30.313      ?      ? 
1 1 1    8    5    8 o  1134.92   15.692  3484.55   96.238   0.0000   0.0000  3484.55   96.238  ?   ?   1134.92   15.692      ?      ? 
1 1 1    8    5    9 o  356.141   6.9685  342.784   13.411   0.0000   0.0000  342.784   13.411  ?   ?   356.141   6.9685      ?      ? 
1 1 1    8    5   10 o   71.787   6.2203   13.172   2.0333   15.358   4.3864   12.573   2.2948   75.366   10.771   68.209   6.2260 7.157516 12.44064 
1 1 1    8    5   13 o  505.796   6.4780  691.807   17.705  687.563   24.953  696.108   25.125  504.234   9.1582  507.358   9.1644 -3.123291 12.95605 
1 1 1    8    5   14 o  1011.78   12.179  2774.41   66.575  2744.96   93.174  2805.12   95.159  1006.31   17.135  1017.24   17.312 -10.93250 24.35750 
1 1 1    8    5   15 o  350.022   6.8953  331.199   13.042   0.0000   0.0000  331.199   13.042  ?   ?   350.022   6.8953      ?      ? 
1 1 1    8    5   16 o  504.897   6.4741  689.283   17.661  679.985   24.710  698.992   25.250  501.420   9.1197  508.375   9.1917 -6.955536 12.94825 
1 1 1    8    5   17 o  230.207   3.9526  143.184   4.9146  145.031   7.0765  141.463   6.8305  231.640   5.6535  228.775   5.5253 2.864761 7.905145 
1 1 1    8    5   18 o  899.248   10.896  2189.95   52.911  2143.11   73.241  2241.09   76.521  889.229   15.242  909.267   15.574 -20.03827 21.79176 
1 1 1    8    5   19 o  264.438   4.2242  188.856   6.0333  182.138   8.3901  196.050   8.6821  259.572   5.9816  269.303   5.9661 -9.731415 8.448373 
1 1 1    8    5   20 o  1192.77   14.326  3865.54   92.314  3814.56  128.831  3919.34  132.344  1184.73   20.124  1200.80   20.396 -16.06543 28.65248 
1 1 1    8    5   21 o  971.855   11.738  2559.49   61.607  2509.46   85.410  2613.75   88.948  961.999   16.430  981.712   16.767 -19.71338 23.47551 
1 1 1    8    5   22 o  1050.77   12.657  2995.59   71.864  2990.60  101.469  3000.61  101.795  1049.90   17.885  1051.64   17.913 -1.747925 25.31327 
1 1 1    8    5   23 o  427.879   5.7332  495.042   13.256  494.009   18.742  496.076   18.752  427.432   8.1143  428.326   8.1017 -0.8937988 11.46649 
1 1 1    8    5   24 o  439.545   7.2844  524.843   16.309  529.440   20.018  515.766   28.129  442.504   8.3716  436.585   11.923 5.919006 14.56883 
1 1 1    8    5   25 o  467.166   7.6308  592.260   18.136  596.053   22.218  584.685   31.394  469.509   8.7573  464.822   12.499 4.687134 15.26151 
1 1 1    8    5   26 o  769.598   11.603  1612.26   45.701  1579.05   77.983  1629.63   56.402  763.216   18.909  775.979   13.451 -12.76294 23.20502 
1 1 1    8    5   27 o  720.110   10.949  1407.42   40.186  1393.02   69.347  1414.69   49.310  717.090   17.897  723.129   12.619 -6.038940 21.89809 
1 1 1    8    5   28 o  1443.48   17.228  5655.47  134.377  5668.77  190.557  5642.32  189.524  1445.16   24.402  1441.80   24.326 3.354614 34.45575 
1 1 1    8    5   29 o  644.561   9.8556  1116.60   32.177  1146.40   56.724  1102.46   39.072  650.681   16.133  638.441   11.325 12.24011 19.71115 
1 1 1    8    5   30 o  244.407   5.9385  161.485   7.8426  163.311   11.131  159.685   11.051  245.779   8.3814  243.035   8.4151 2.744522 11.87693 
1 1 1    8    5   31 o  334.971   6.8998  302.991   12.478  293.919   17.203  313.063   18.126  329.690   9.6560  340.251   9.8584 -10.56171 13.79955 
1 1 1    8    5   32 o  807.061   13.933  1766.21   60.765  1767.57   85.956  1764.86   85.914  807.370   19.702  806.752   19.708 0.6183472 27.86692 
1 1 1    8    5   33 o  762.474   9.4165  1573.46   38.793  1589.00   55.396  1558.52   54.341  766.159   13.381  758.789   13.253 7.369751 18.83304 
1 1 1    8    5   34 o  387.447   6.7446  403.308   13.363  397.737   16.376  414.414   23.120  383.535   7.9015  391.358   10.933 -7.823517 13.48923 
1 1 1    8    5   35 o  241.295   5.0464  157.303   6.5728  167.773   9.4192  147.367   9.1764  249.118   6.9971  233.472   7.2736 15.64650 10.09279 
1 1 1    8    5   36 o  774.894   9.5883  1626.00   40.144  1640.46   57.295  1612.06   56.264  778.269   13.624  771.519   13.496 6.750061 19.17669 
1 1 1    8    5   37 o  685.386   8.6286  1271.72   31.956  1278.53   45.441  1265.06   44.948  687.197   12.237  683.575   12.168 3.622009 17.25727 
1 1 1    8    5   38 o  674.838   10.497  1237.64   36.110  1243.92   44.315  1225.22   62.293  677.771   12.100  671.904   17.157 5.867554 20.99469 
1 1 1    8    5   39 o  325.249   8.1937  286.062   14.386  296.396   20.927  276.802   19.809  330.801   11.707  319.696   11.467 11.10535 16.38742 
1 1 1    8    5   40 o  827.035   14.564  1862.70   65.066  1886.94   93.415  1839.86   90.682  832.200   20.773  821.870   20.419 10.32959 29.12805 
1 1 1    8    5   41 o  257.710   6.8060  176.987   8.5530  186.531   16.233  173.318   10.063  262.318   11.452  253.102   7.3578 9.215576 13.61196 
1 1 1    8    5   42 f  607.120   7.8091  998.942   25.613  1011.33   36.721  987.206   35.743  610.769   11.126  603.471   10.961 7.298035 15.61829 
1 1 1    8    5   43 f  273.834   5.1937  202.668   7.6799  211.300   11.104  194.752   10.633  279.416   7.3542  268.253   7.3357 11.16309 10.38732 
1 1 1    8    5   44 o  408.237   5.9199  451.379   13.056  456.968   18.707  446.070   18.231  410.693   8.4292  405.781   8.3143 4.911896 11.83972 
1 1 1    8    5   45 o   68.903   11.423   13.516   4.1854   12.265   5.9687   14.726   5.8706   65.719   16.756   72.086   15.529 -6.367584 22.84591 
1 1 1    8    5   46 o  244.827   5.1908  162.288   6.8641  166.209   9.8911  158.646   9.5335  247.673   7.3906  241.982   7.2909 5.691360 10.38161 
1 1 1    8    5   47 o  458.016   6.3704  569.154   15.755  583.771   22.809  555.815   21.788  463.610   9.1048  452.423   8.9123 11.18726 12.74078 
1 1 1    8    5   48 o  473.790   6.5224  608.938   16.678  629.054   24.321  591.081   22.915  481.127   9.3549  466.454   9.0913 14.67288 13.04479 
1 1 1    8    5   49 o  138.921   6.4245   52.485   4.8227   52.769   6.8438   52.205   6.7970  139.293   9.0924  138.549   9.0788 0.7441406 12.84896 
1 1 1    8    5   50 o  318.298   5.3351  274.844   9.1674  282.782   13.321  267.701   12.635  322.637   7.6408  313.958   7.4478 8.678864 10.67013 
1 1 1    8    5   51 o  246.240   5.1925  164.740   6.9041  164.292   9.9495  165.155   9.5882  245.890   7.4881  246.589   7.1957 -0.6988831 10.38507 
1 1 1    8    5   52 o  242.700   5.1937  160.065   6.8074  163.296   9.8320  157.089   9.4344  245.034   7.4256  240.367   7.2636 4.667603 10.38745 
1 1 1    8    5   53 o  172.301   5.6774   81.017   5.2791   78.454   7.5816   83.430   7.3551  169.606   8.2724  174.997   7.7780 -5.390778 11.35476 
1 1 1    8    5   54 o  104.154   8.1651   30.130   4.5466   25.364   6.4653   34.793   6.3950   95.765   12.494  112.542   10.516 -16.77689 16.33013 
1 1 1    8    5   55 o  247.591   5.3552  167.324   7.1646  167.890   10.175  166.768   10.090  248.000   7.5925  247.182   7.5543 0.8181152 10.71045 
1 1 1    8    5   56 o  193.964   5.6875  102.821   5.9548  105.188   8.6592  100.698   8.2022  196.040   8.1742  191.889   7.9103 4.151093 11.37497 
1 1 1    8    5   57 o  251.629   5.3531  173.125   7.2625  175.069   10.657  171.439   9.9240  252.850   7.7995  250.408   7.3342 2.442184 10.70614 
1 1 1    8    5   58 o  160.007   6.2518   70.505   5.3990   69.590   7.7965   71.349   7.4838  158.928   9.0785  161.085   8.5977 -2.156830 12.50355 
1 1 1    8    5   59 o  173.437   6.0688   82.851   5.6846   83.835   8.1923   81.937   7.8945  174.386   8.6937  172.488   8.4698 1.897644 12.13751 
1 1 1    8    5   60 o  173.939   7.1855   83.611   6.4869   86.599   10.864   81.956   8.0866  175.638   11.447  172.241   8.6885 3.397232 14.37094 
1 1 1    8    5   61 o  153.943   8.8871   67.120   7.3920   65.856   10.420   68.401   10.488  152.438   12.650  155.449   12.486 -3.010818 17.77416 
1 1 1    8    5   62 o  123.908   11.191   44.696   7.4028   36.171   10.012   54.977   10.995  110.366   16.788  137.450   14.804 -27.08429 22.38277 
1 1 1    8    5   63 o  187.429   6.4873   97.831   6.5551  105.792   9.6665   91.054   8.9191  194.437   9.2004  180.421   9.1484 14.01599 12.97459 
1 1 1    8    5   64 o  124.475   8.8868   44.918   5.9273   39.327   8.4861   50.245   8.2826  116.260   13.508  132.690   11.552 -16.43024 17.77366 
1 1 1    8    5   65 o   40.730   12.456  -2.6976   5.5881   6.6205   8.0658 -11.2987   7.7493   50.977   20.025   30.483   14.821 20.49415 24.91270 
1 1 1    8    5   66 o  105.183   11.031   35.573   5.9023   27.630   8.5785   42.713   8.1335   90.810   18.117  119.555   12.590 -28.74446 22.06189 
1 1 1    8    5   67 o   75.969   17.924   22.609   8.9525   32.815   13.514   14.628   11.951   89.485   26.244   62.453   24.421 27.03241 35.84842 
1 1 1    8    6    1 o  801.258   9.7740  1736.24   42.319  1735.89   59.869  1736.59   59.827  801.177   13.829  801.339   13.816 -0.1610107 19.54808 
1 1 1    8    6    8 o  670.140   11.711  1214.41   42.410   0.0000   0.0000  1214.41   42.410  ?   ?   670.140   11.711      ?      ? 
1 1 1    8    6    9 o  271.161   5.1252  198.701   7.5097   0.0000   0.0000  198.701   7.5097  ?   ?   271.161   5.1252      ?      ? 
1 1 1    8    6   10 o  469.742   7.5551  594.639   17.914  602.928   31.697  590.750   21.715  472.050   12.426  467.435   8.5969 4.614471 15.11019 
1 1 1    8    6   11 o  688.411   8.5012  1282.29   31.622  1289.48   45.010  1275.29   44.437  690.311   12.066  686.511   11.979 3.799866 17.00240 
1 1 1    8    6   12 o  678.515   8.4038  1245.77   30.812  1248.04   43.721  1243.53   43.428  679.126   11.914  677.905   11.855 1.220947 16.80751 
1 1 1    8    6   14 o  577.945   7.2815  903.493   22.739  895.664   31.936  911.543   32.384  575.407   10.271  580.482   10.324 -5.074646 14.56298 
1 1 1    8    6   15 o  970.300   11.716  2551.83   61.422  2526.14   86.023  2578.55   87.729  965.333   16.491  975.266   16.647 -9.932861 23.43223 
1 1 1    8    6   16 o  842.391   10.247  1922.17   46.639  1904.94   65.424  1939.97   66.504  838.562   14.438  846.221   14.544 -7.659180 20.49344 
1 1 1    8    6   17 o  608.979   7.6271  1003.10   25.091  986.029   34.952  1021.25   36.040  603.642   10.715  614.315   10.857 -10.67383 15.25422 
1 1 1    8    6   18 o  529.110   6.7664  756.835   19.336  740.231   26.830  774.780   27.892  523.082   9.4920  535.138   9.6455 -12.05640 13.53273 
1 1 1    8    6   19 o  769.354   9.4238  1603.37   39.178  1601.13   55.381  1605.60   55.430  768.817   13.331  769.891   13.324 -1.074158 18.84760 
1 1 1    8    6   20 o  973.876   11.775  2571.58   61.954  2543.48   86.687  2600.91   88.575  968.459   16.565  979.293   16.738 -10.83453 23.54911 
1 1 1    8    6   21 o  310.508   4.6729  260.594   7.8398  256.096   11.000  265.238   11.177  307.785   6.6136  313.231   6.6034 -5.445496 9.345814 
1 1 1    8    6   22 o  321.893   4.7919  280.075   8.3343  274.764   11.723  285.503   11.851  318.807   6.8047  324.979   6.7488 -6.172150 9.583846 
1 1 1    8    6   23 o  698.052   10.631  1323.50   37.881  1331.24   46.563  1308.33   65.143  701.366   12.286  694.739   17.352 6.626343 21.26146 
1 1 1    8    6   24 o  594.573   9.2590  960.093   28.092  966.857   34.527  946.847   48.319  597.857   10.687  591.290   15.123 6.566895 18.51805 
1 1 1    8    6   25 o  1075.78   15.900  3149.33   87.320  3119.37  150.181  3164.63  107.327  1071.04   25.949  1080.51   18.382 -9.471680 31.80012 
1 1 1    8    6   26 o  496.204   8.0915  664.259   20.197  670.721   35.932  661.275   24.420  497.863   13.356  494.546   9.1379 3.317078 16.18309 
1 1 1    8    6   27 o  208.889   7.8577  117.950   8.8695  117.950   8.8695   0.0000   0.0000  208.889   7.8577  ?   ?       ?      ? 
1 1 1    8    6   28 o  370.422   7.2418  370.928   14.493  365.540   20.257  376.577   20.743  367.669   10.196  373.175   10.286 -5.506104 14.48350 
1 1 1    8    6   29 f  598.772   10.609  970.337   34.320  959.009   47.980  982.207   49.113  595.201   14.918  602.343   15.089 -7.142517 21.21847 
1 1 1    8    6   30 o  331.170   6.0111  299.200   10.391  307.400   13.195  285.811   16.860  337.227   7.2408  325.113   9.5970 12.11441 12.02219 
1 1 1    8    6   31 o  1152.02   13.848  3598.12   86.203  3589.92  121.678  3606.38  122.142  1150.71   19.569  1153.33   19.598 -2.628174 27.69525 
1 1 1    8    6   32 o  594.620   7.5959  955.599   24.391  977.937   35.260  935.101   33.776  601.271   10.852  587.969   10.631 13.30219 15.19176 
1 1 1    8    6   33 o  296.408   5.8788  235.647   9.0143  244.144   15.246  231.080   11.177  300.450   9.3907  292.366   7.0748 8.084351 11.75753 
1 1 1    8    6   34 o  696.168   10.642  1306.19   37.641  1293.12   45.873  1333.11   65.857  691.186   12.282  701.150   17.382 -9.964478 21.28351 
1 1 1    8    6   35 o  1597.36   23.440  7017.37  192.225  7089.28  238.134  6882.88  325.664  1612.53   27.329  1582.19   38.091 30.34509 46.88079 
1 1 1    8    6   36 o  135.936   6.6076   49.978   4.8520   49.703   6.7671   50.269   6.9607  135.552   9.2386  136.319   9.4494 -0.7669067 13.21528 
1 1 1    8    6   37 o  248.166   5.2563  164.833   7.0097  190.288   10.497  144.344   9.4173  265.286   7.3224  231.046   7.5429 34.23956 10.51253 
1 1 1    8    6   38 o  442.951   7.7295  538.854   17.644  558.102   22.093  504.955   29.319  454.177   9.0021  431.725   12.568 22.45169 15.45906 
1 1 1    8    6   39 o  701.930   12.653  1338.65   47.981  1351.58   68.704  1326.35   67.037  705.205   18.029  698.655   17.757 6.550415 25.30531 
1 1 1    8    6   40 o  214.754   8.7445  123.255   10.047  150.721   15.159  101.734   13.418  235.816   11.896  193.691   12.820 42.12468 17.48906 
1 1 1    8    6   41 o  363.667   7.1956  353.299   12.897  370.496   24.012  346.328   15.289  369.603   12.023  357.731   7.9092 11.87170 14.39125 
1 1 1    8    6   42 o  370.399   5.6721  371.347   11.351  372.551   16.206  370.188   15.903  370.983   8.0843  369.815   7.9582 1.167633 11.34414 
1 1 1    8    6   43 o  219.096   5.3359  129.529   6.3028  142.460   9.1841  118.017   8.6656  229.406   7.4088  208.785   7.6809 20.62056 10.67170 
1 1 1    8    6   44 o  562.554   7.3678  858.781   22.396  849.864   31.455  867.949   31.894  559.596   10.402  565.511   10.437 -5.914429 14.73568 
1 1 1    8    6   45 o  374.350   5.6901  378.036   11.478  403.211   17.026  357.061   15.541  385.705   8.1691  362.995   7.9231 22.71027 11.38021 
1 1 1    8    6   46 o  453.233   6.3243  557.507   15.487  560.354   22.077  554.748   21.732  454.361   8.9918  452.105   8.8957 2.256378 12.64851 
1 1 1    8    6   47 o  217.583   5.2830  128.366   6.2113  128.982   8.8060  127.756   8.7625  218.102   7.4719  217.063   7.4705 1.039078 10.56591 
1 1 1    8    6   48 o  177.065   5.5608   85.094   5.3196   86.366   7.4912   83.801   7.5553  178.409   7.7705  175.721   7.9568 2.687119 11.12166 
1 1 1    8    6   49 o  103.186   8.4686   29.472   4.5787   38.615   6.5906   20.942   6.3657  119.013   10.248   87.358   13.485 31.65440 16.93724 
1 1 1    8    6   50 o  299.701   5.3366  244.011   8.6425  243.760   12.203  244.263   12.242  299.548   7.5387  299.854   7.5555 -0.3054199 10.67320 
1 1 1    8    6   51 o   50.458   11.854   5.7022   4.1857   11.197   6.0029   0.5025   5.8395   62.416   17.232   38.500   16.284 23.91601 23.70885 
1 1 1    8    6   52 o   39.276   11.490   1.2863   4.0117  -0.1643   5.7955   2.6208   5.5588   37.179   15.988   41.373   16.505 -4.194084 22.97936 
1 1 1    8    6   53 o   51.435   11.315   5.2528   4.1902   13.804   6.1726  -2.0561   5.7066   68.804   16.758   34.066   15.210 34.73808 22.63088 
1 1 1    8    6   54 o  202.918   5.4884  111.963   6.0076  121.170   8.7639  103.803   8.2511  210.779   7.6946  195.057   7.8282 15.72133 10.97670 
1 1 1    8    6   55 o  101.031   8.4894   28.295   4.6258   30.724   6.6359   25.998   6.4519  105.321   11.660   96.741   12.342 8.580437 16.97880 
1 1 1    8    6   56 o  160.673   6.1562   70.974   5.3330   66.207   7.5912   75.619   7.4939  155.236   9.0496  166.109   8.3488 -10.87296 12.31247 
1 1 1    8    6   57 o  161.009   6.1945   71.281   5.3753   70.736   7.8739   71.757   7.3562  160.328   9.0885  161.690   8.4194 -1.362015 12.38900 
1 1 1    8    6   58 o   59.299   12.444   9.9350   4.4619   14.934   6.6374   5.8131   6.0268   70.386   17.520   48.212   17.677 22.17412 24.88842 
1 1 1    8    6   59 o  107.779   11.009   33.672   6.3655   37.432   8.9099   29.752   9.0975  114.447   14.407  101.111   16.651 13.33637 22.01859 
1 1 1    8    6   60 o  117.849   10.563   40.098   6.6569   47.230   9.5493   33.356   9.2849  128.634   13.738  107.064   16.049 21.56991 21.12583 
1 1 1    8    6   61 o  129.029   9.0845   44.939   6.1577   37.008   7.6913   59.099   10.277  114.189   12.465  143.869   13.219 -29.67992 18.16907 
1 1 1    8    6   62 o  113.479   9.1940   37.022   5.5664   30.282   7.7930   44.043   7.9538  102.326   14.094  124.631   11.810 -22.30556 18.38801 
1 1 1    8    6   63 o  180.699   6.4763   91.550   6.3220   90.314   9.0043   92.752   8.8783  179.403   9.2882  181.995   9.0278 -2.591858 12.95266 
1 1 1    8    6   64 o   71.482   11.953   14.789   5.5531   29.212   8.1255   2.1498   7.6066   99.410   15.126   43.554   18.511 55.85666 23.90562 
1 1 1    8    6   65 o   71.877   13.571   17.704   5.6283   11.602   8.4088   22.657   7.5755   59.400   20.994   84.355   17.202 -24.95445 27.14138 
1 1 1    8    6   66 o   65.426   13.961   14.857   5.7863   8.1623   8.4022   20.896   7.9803   52.241   20.463   78.610   18.998 -26.36938 27.92242 
1 1 1    8    6   67 o  118.722   11.690   43.908   7.2618   39.524   9.0477   51.847   12.174  112.488   14.885  124.956   18.030 -12.46829 23.38000 
1 1 1    8    7    1 o  281.189   4.5327  213.348   6.8819  204.340   9.5184  223.214   9.9616  274.979   6.4059  287.398   6.4144 -12.41901 9.065309 
1 1 1    8    7    2 o  377.850   5.2918  385.805   10.803  389.084   15.423  382.645   15.138  379.426   7.5222  376.274   7.4451 3.151642 10.58363 
1 1 1    8    7    7 o  783.748   11.627  1681.88   47.356  1594.14   77.471  1734.21   59.836  766.985   18.692  800.511   13.833 -33.52606 23.25402 
1 1 1    8    7    8 o  771.638   13.350  1611.54   55.667   0.0000   0.0000  1611.54   55.667  ?   ?   771.638   13.350      ?      ? 
1 1 1    8    7    9 o  942.035   16.104  2404.25   81.976   0.0000   0.0000  2404.25   81.976  ?   ?   942.035   16.104      ?      ? 
1 1 1    8    7   10 o  629.155   9.6440  1075.07   30.991  1061.04   53.213  1082.27   38.124  625.829   15.735  632.481   11.155 -6.651428 19.28794 
1 1 1    8    7   11 o  1123.02   19.119  3421.33  116.022   0.0000   0.0000  3421.33  116.022  ?   ?   1123.02   19.119      ?      ? 
1 1 1    8    7   12 o  518.838   6.6937  727.680   18.759  740.820   27.002  715.422   26.080  523.359   9.5479  514.318   9.3841 9.040588 13.38744 
1 1 1    8    7   14 o  578.285   10.346  904.734   32.330   0.0000   0.0000  904.734   32.330  ?   ?   578.285   10.346      ?      ? 
1 1 1    8    7   15 o  797.307   9.7476  1721.66   41.994  1709.61   59.023  1734.00   59.762  794.488   13.748  800.126   13.822 -5.637268 19.49521 
1 1 1    8    7   16 o  814.544   9.9607  1797.36   43.839  1809.42   62.485  1785.67   61.520  817.225   14.150  811.864   14.023 5.361633 19.92142 
1 1 1    8    7   17 o  1039.42   17.745  2932.58   99.667   0.0000   0.0000  2932.58   99.667  ?   ?   1039.42   17.745      ?      ? 
1 1 1    8    7   18 o  431.984   5.8043  504.384   13.545  492.711   18.870  516.790   19.453  426.832   8.1816  437.135   8.2355 -10.30292 11.60870 
1 1 1    8    7   19 o  832.983   14.389  1879.92   64.766   0.0000   0.0000  1879.92   64.766  ?   ?   832.983   14.389      ?      ? 
1 1 1    8    7   20 o  835.830   10.201  1892.66   46.075  1886.50   65.036  1898.86   65.285  834.467   14.423  837.194   14.431 -2.726929 20.40296 
1 1 1    8    7   21 o  475.207   6.2530  609.035   16.029  583.461   21.891  638.595   23.535  464.488   8.7216  485.926   8.9629 -21.43759 12.50596 
1 1 1    8    7   22 o  421.353   8.0430  480.017   18.313   0.0000   0.0000  480.017   18.313  ?   ?   421.353   8.0430      ?      ? 
1 1 1    8    7   23 o  347.536   6.4027  324.652   11.129  321.498   13.373  331.757   20.070  344.862   7.1764  350.210   10.606 -5.348816 12.80541 
1 1 1    8    7   24 o  367.920   6.3906  355.742   11.689  392.117   21.681  340.837   13.879  380.754   10.538  355.086   7.2332 25.66809 12.78126 
1 1 1    8    7   25 o  409.326   10.880  453.153   24.066   0.0000   0.0000  453.153   24.066  ?   ?   409.326   10.880      ?      ? 
1 1 1    8    7   26 o  346.508   6.9158  324.471   12.940  329.054   18.712  320.270   17.913  348.848   9.9265  344.168   9.6321 4.679718 13.83157 
1 1 1    8    7   27 o  790.464   13.631  1692.45   58.201  1718.02   83.662  1668.47   81.019  796.227   19.445  784.701   19.107 11.52570 27.26132 
1 1 1    8    7   28 o  421.510   6.9850  478.405   15.118  473.984   18.629  486.937   25.876  418.723   8.2331  424.297   11.286 -5.574371 13.96997 
1 1 1    8    7   29 o  1256.52   15.059  4282.40  102.244  4255.09  143.661  4310.44  145.548  1252.47   21.227  1260.56   21.368 -8.086670 30.11891 
1 1 1    8    7   30 o   80.580   8.4583   18.234   3.4339   24.825   4.9251   11.999   4.7903   95.816   9.5123   65.343   13.989 30.47351 16.91662 
1 1 1    8    7   31 o  1022.13   12.364  2831.02   68.289  2838.05   96.855  2824.07   96.297  1023.39   17.514  1020.87   17.456 2.513550 24.72803 
1 1 1    8    7   32 o  776.177   9.5865  1630.91   40.206  1619.64   56.531  1642.45   57.194  773.468   13.526  778.886   13.589 -5.418762 19.17295 
1 1 1    8    7   33 o  671.344   10.236  1228.55   35.472  1194.37   59.334  1247.56   44.249  663.769   16.542  678.919   12.062 -15.14948 20.47276 
1 1 1    8    7   34 o  292.846   6.0332  230.633   9.2124  236.712   15.265  227.151   11.554  295.832   9.5491  289.860   7.3764 5.972504 12.06630 
1 1 1    8    7   35 o  142.435   7.0862   55.485   5.3598   58.612   7.0787   51.284   8.2052  147.209   8.8988  137.661   11.030 9.548157 14.17240 
1 1 1    8    7   36 o  189.247   9.7914   96.892   10.013   0.0000   0.0000   96.892   10.013  ?   ?   189.247   9.7914      ?      ? 
1 1 1    8    7   37 o  566.589   7.4054  868.455   22.665  882.576   32.570  855.195   31.560  571.045   10.555  562.132   10.390 8.912781 14.81073 
1 1 1    8    7   38 o  586.158   9.4321  932.516   28.101  934.901   34.366  927.703   48.816  587.614   10.823  584.702   15.451 2.911377 18.86412 
1 1 1    8    7   39 o  199.810   9.2153  108.207   9.9486  109.505   14.210  106.959   13.933  200.982   13.084  198.638   12.981 2.344086 18.43070 
1 1 1    8    7   40 f  511.072   10.006  708.840   27.621  723.649   39.772  695.045   38.387  516.205   14.258  505.939   14.041 10.26575 20.01132 
1 1 1    8    7   41 o  485.834   6.6568  637.958   17.448  661.781   25.560  617.167   23.877  494.290   9.5694  477.377   9.2562 16.91327 13.31355 
1 1 1    8    7   42 o  480.398   6.5696  625.132   17.053  617.099   23.958  633.382   24.279  477.270   9.2895  483.525   9.2921 -6.255005 13.13916 
1 1 1    8    7   43 o  519.700   6.9541  732.353   19.527  737.602   27.858  727.283   27.378  521.520   9.8855  517.879   9.7835 3.640930 13.90825 
1 1 1    8    7   44 o  278.323   5.2466  209.700   7.8873  213.089   11.353  206.539   10.966  280.489   7.4905  276.157   7.3483 4.331879 10.49310 
1 1 1    8    7   45 o  238.673   5.2170  154.325   6.7280  156.781   9.5572  151.913   9.4731  240.557   7.3523  236.788   7.4036 3.768799 10.43407 
1 1 1    8    7   46 o  185.684   5.5575   93.522   5.5746   93.230   7.9743   93.801   7.7962  185.392   7.9600  185.977   7.7577 -0.5849609 11.11504 
1 1 1    8    7   47 o  381.658   5.7389  394.863   11.827  405.121   17.120  385.497   16.359  386.379   8.1997  376.938   8.0313 9.440826 11.47771 
1 1 1    8    7   48 o  254.852   5.2064  176.235   7.1692  178.017   10.105  174.428   10.173  256.158   7.3003  253.545   7.4252 2.613449 10.41285 
1 1 1    8    7   49 o  528.622   7.0888  761.708   20.243  772.036   29.062  751.974   28.213  532.061   10.108  525.183   9.9414 6.878601 14.17768 
1 1 1    8    7   50 o   54.253   11.673   7.2714   4.2400   13.638   6.0070   0.9503   5.9856   68.794   16.392   39.713   16.624 29.08097 23.34672 
1 1 1    8    7   51 o  249.422   5.2402  169.116   7.0620  170.963   10.074  167.330   9.9025  250.756   7.4346  248.087   7.3867 2.668579 10.48034 
1 1 1    8    7   52 o  305.350   5.4031  252.865   8.8960  270.709   13.110  237.636   12.111  315.276   7.6951  295.423   7.5868 19.85349 10.80619 
1 1 1    8    7   53 o  128.520   7.0611   45.213   4.8760   52.036   7.0597   38.988   6.7428  137.871   9.4760  119.168   10.471 18.70261 14.12220 
1 1 1    8    7   54 o  163.939   5.9835   73.687   5.2824   66.881   7.4842   80.442   7.4567  156.280   8.8624  171.597   8.0417 -15.31621 11.96707 
1 1 1    8    7   55 o   83.393   10.579   19.865   4.6532   19.903   6.8429   19.832   6.3464   82.647   15.900   84.138   13.959 -1.490746 21.15759 
1 1 1    8    7   56 o  207.163   5.5932  117.347   6.2560  123.789   9.0460  111.442   8.6613  212.617   7.8735  201.710   7.9463 10.90674 11.18646 
1 1 1    8    7   57 o   37.805   11.500  -0.0313   4.2988  -2.0669   6.3122   1.7295   5.8706   35.610   15.941   40.000   16.580 -4.389194 22.99996 
1 1 1    8    7   58 o  206.626   7.3933  118.649   8.2548  118.784   11.655  118.513   11.693  206.757   10.432  206.496   10.479 0.2613068 14.78658 
1 1 1    8    7   59 o  126.764   9.5558   45.580   6.5327   49.707   9.5097   41.892   8.9895  132.280   13.304  121.248   13.721 11.03185 19.11154 
1 1 1    8    7   60 o   88.607   11.673   22.631   5.3790   14.862   7.0763   33.266   8.2786   69.445   18.518  107.769   14.216 -38.32419 23.34553 
1 1 1    8    7   61 o  211.730   5.8208  123.890   6.6435  124.846   9.7553  123.062   9.0724  212.330   8.5024  211.130   7.9522 1.200623 11.64165 
1 1 1    8    7   62 o   50.659   13.593   6.6509   5.1439   5.6079   7.4715   7.5908   7.0924   49.050   19.271   52.268   19.174 -3.217770 27.18535 
1 1 1    8    7   63 o   46.177   11.803  -0.6225   5.3283 -17.1886   7.8190   13.740   7.2805   27.298   13.574   65.056   19.312 -37.75819 23.60516 
1 1 1    8    7   64 o  118.446   9.7434   41.936   5.9571   29.106   8.5289   54.156   8.3241   98.776   15.979  138.117   11.153 -39.34116 19.48672 
1 1 1    8    7   65 o  121.858   9.0627   44.049   5.9465   48.530   8.8613   40.377   8.0208  127.408   12.871  116.308   12.762 11.10034 18.12547 
1 1 1    8    7   66 o   71.477   13.434   17.934   5.6850   10.144   8.4801   24.292   7.6617   55.944   20.884   87.010   16.905 -31.06519 26.86840 
1 1 1    8    7   67 o   66.997   16.203   16.072   6.9030   10.818   8.5177   26.126   11.783   55.148   20.858   78.845   24.800 -23.69691 32.40503 
1 1 1    8    8    0 o  523.418   6.7817  740.689   19.181  735.478   26.999  746.000   27.254  521.560   9.5796  525.276   9.6019 -3.716675 13.56339 
1 1 1    8    8    1 o  902.457   10.958  2203.74   53.419  2170.59   74.439  2238.95   76.704  895.474   15.384  909.440   15.608 -13.96643 21.91522 
1 1 1    8    8    7 f  569.358   8.3200  876.436   22.301  878.604   44.216  875.696   25.827  569.622   14.365  569.093   8.3984 0.5289307 16.63997 
1 1 1    8    8    8 o  827.666   10.112  1852.91   45.226   0.0000   0.0000  1852.91   45.226  ?   ?   827.666   10.112      ?      ? 
1 1 1    8    8    9 o  951.776   11.519  2451.18   59.243   0.0000   0.0000  2451.18   59.243  ?   ?   951.776   11.519      ?      ? 
1 1 1    8    8   10 o  571.620   7.2901  883.364   22.518   0.0000   0.0000  883.364   22.518  ?   ?   571.620   7.2901      ?      ? 
1 1 1    8    8   11 o  282.329   5.6582  214.844   8.0859  217.477   14.226  213.587   9.8277  283.566   9.2843  281.092   6.4702 2.473236 11.31645 
1 1 1    8    8   14 o  1011.13   17.397  2773.56   95.052   0.0000   0.0000  2773.56   95.052  ?   ?   1011.13   17.397      ?      ? 
1 1 1    8    8   16 o  636.686   11.313  1097.31   38.922   0.0000   0.0000  1097.31   38.922  ?   ?   636.686   11.313      ?      ? 
1 1 1    8    8   18 o  996.144   12.053  2690.00   64.854  2644.28   90.233  2738.86   93.278  987.422   16.911  1004.87   17.178 -17.44336 24.10575 
1 1 1    8    8   19 o  967.295   11.710  2536.92   61.208  2525.58   86.249  2548.42   86.876  965.123   16.538  969.467   16.584 -4.344421 23.42046 
1 1 1    8    8   20 o  388.250   5.4443  407.582   11.421  404.606   16.200  410.522   16.105  386.840   7.7499  389.661   7.6485 -2.821075 10.88853 
1 1 1    8    8   21 o  421.890   7.0396  468.766   14.744  513.288   27.376  450.576   17.498  435.548   11.632  408.233   7.9323 27.31467 14.07917 
1 1 1    8    8   22 o  595.436   14.998  960.135   48.257  960.135   48.257   0.0000   0.0000  595.436   14.998  ?   ?       ?      ? 
1 1 1    8    8   23 o  496.857   9.0543  666.551   24.277  639.640   33.303  697.072   35.466  486.185   12.676  507.527   12.932 -21.34186 18.10863 
1 1 1    8    8   24 o  539.867   13.632  788.739   39.769   0.0000   0.0000  788.739   39.769  ?   ?   539.867   13.632      ?      ? 
1 1 1    8    8   25 o  554.388   8.6364  828.792   24.504  823.380   30.106  839.414   42.179  551.819   10.097  556.958   14.015 -5.139343 17.27284 
1 1 1    8    8   26 o  106.127   5.7209   29.398   3.2237   37.579   5.1313   24.063   4.1435  117.905   8.0539   94.348   8.1272 23.55729 11.44190 
1 1 1    8    8   27 o  1006.15   12.174  2742.07   66.190  2735.47   93.529  2748.69   93.684  1004.93   17.224  1007.36   17.211 -2.426575 24.34854 
1 1 1    8    8   28 o  680.106   8.5111  1251.27   31.278  1244.30   44.085  1258.32   44.386  678.201   12.029  682.011   12.044 -3.810120 17.02224 
1 1 1    8    8   29 o  543.354   7.0667  798.326   20.748  791.330   29.203  805.457   29.483  540.950   9.9903  545.757   9.9972 -4.806946 14.13332 
1 1 1    8    8   30 o  977.825   11.857  2590.07   62.650  2575.57   88.168  2604.86   89.038  975.065   16.734  980.584   16.804 -5.518860 23.71452 
1 1 1    8    8   31 o  806.177   9.9468  1756.53   43.276  1700.14   59.406  1820.30   63.171  792.439   13.873  819.916   14.258 -27.47632 19.89352 
1 1 1    8    8   32 o  903.596   11.036  2212.48   53.885  2205.34   76.045  2219.68   76.367  902.133   15.599  905.058   15.615 -2.924988 22.07195 
1 1 1    8    8   33 o  270.595   7.0788  197.951   10.351   0.0000   0.0000  197.951   10.351  ?   ?   270.595   7.0788      ?      ? 
1 1 1    8    8   34 o  449.495   7.5440  548.122   17.475  541.892   29.465  551.502   21.704  447.420   12.187  451.570   8.8948 -4.150085 15.08799 
1 1 1    8    8   35 o  614.749   9.6505  1011.74   29.941  1056.98   53.364  990.950   36.172  624.393   15.816  605.106   11.062 19.28754 19.30092 
1 1 1    8    8   36 o  254.196   6.1218  173.853   8.1901  170.824   10.415  178.761   13.257  251.340   7.6686  257.052   9.5445 -5.712723 12.24355 
1 1 1    8    8   37 o  850.379   10.492  1960.64   48.197  1929.84   67.121  1993.42   69.251  843.513   14.726  857.244   14.950 -13.73083 20.98424 
1 1 1    8    8   38 o  746.726   13.394  1514.72   53.994  1555.63   78.468  1477.93   74.411  756.223   19.202  737.229   18.679 18.99414 26.78853 
1 1 1    8    8   39 o  441.926   9.2581  528.957   22.087  548.649   32.105  511.261   30.435  449.707   13.212  434.146   12.973 15.56119 18.51619 
1 1 1    8    8   40 o  218.446   7.2587  122.354   7.5678  144.212   15.239  115.199   8.7188  230.572   12.231  206.320   7.8204 24.25150 14.51749 
1 1 1    8    8   41 o  498.642   6.7672  673.498   18.233  664.358   25.596  682.913   25.978  495.209   9.5654  502.075   9.5751 -6.866272 13.53437 
1 1 1    8    8   42 o  237.781   5.3330  153.062   6.8516  152.625   9.6128  153.512   9.7683  237.439   7.4922  238.122   7.5915 -0.6827087 10.66605 
1 1 1    8    8   43 o  490.309   6.6788  651.759   17.691  659.789   25.372  644.160   24.679  493.233   9.5194  487.385   9.3706 5.848267 13.35767 
1 1 1    8    8   44 o  277.234   5.2147  207.854   7.8037  215.410   11.362  201.107   10.737  281.988   7.4564  272.481   7.2921 9.506592 10.42943 
1 1 1    8    8   45 o  172.518   5.7335   80.398   5.3306   89.143   7.7930   72.709   7.3076  181.312   7.9541  163.724   8.2599 17.58759 11.46704 
1 1 1    8    8   46 o  400.764   5.9412  435.484   12.857  446.540   18.617  425.403   17.777  405.602   8.4941  395.926   8.3093 9.676880 11.88249 
1 1 1    8    8   47 o  148.732   6.3041   60.125   5.0637   59.341   7.2561   60.870   7.0697  147.770   9.0872  149.693   8.7400 -1.923325 12.60810 
1 1 1    8    8   48 o  311.089   5.4024  262.719   9.0804  266.840   12.970  258.757   12.717  313.478   7.6565  308.701   7.6238 4.777863 10.80488 
1 1 1    8    8   49 o  406.523   6.0501  448.985   13.277  464.091   19.306  435.429   18.289  412.970   8.6516  400.077   8.4596 12.89297 12.10020 
1 1 1    8    8   50 o  154.642   6.1325   65.132   5.1057   72.678   7.3197   57.981   7.1254  163.420   8.2889  145.865   9.0400 17.55542 12.26494 
1 1 1    8    8   51 o  331.634   5.5492  299.376   9.9427  293.644   13.915  305.355   14.212  328.394   7.8416  334.874   7.8538 -6.480560 11.09836 
1 1 1    8    8   52 o  103.282   8.5421   29.412   4.6179   39.806   6.8060   20.545   6.2863  120.459   10.456   86.106   13.511 34.35332 17.08410 
1 1 1    8    8   53 o   31.681   10.356  -5.0075   4.1978  -2.2654   6.1496  -7.4003   5.7444   35.184   15.743   28.179   13.458 7.004831 20.71144 
1 1 1    8    8   54 o   74.942   11.216   16.076   4.5100   21.701   6.6241   11.215   6.1575   88.071   13.919   61.813   17.592 26.25832 22.43279 
1 1 1    8    8   55 o   86.947   10.640   22.744   4.6706   14.176   6.7712   30.520   6.4509   68.964   17.984  104.930   11.377 -35.96607 21.28040 
1 1 1    8    8   56 o   69.874   12.796   14.190   4.7326   16.734   7.8717   12.749   5.9225   74.281   19.400   65.467   16.691 8.813675 25.59177 
1 1 1    8    8   57 o  165.729   7.8840   76.396   7.0555   78.221   10.212   74.730   9.7598  167.564   11.278  163.894   11.020 3.670242 15.76804 
1 1 1    8    8   58 o   92.703   12.281   25.141   6.0011   29.685   9.0442   21.568   8.0212  101.108   16.554   84.298   18.146 16.80930 24.56235 
1 1 1    8    8   59 o  159.572   6.5854   70.603   5.6121   85.204   8.1254   57.282   7.7606  175.671   8.5597  143.475   10.010 32.19598 13.17073 
1 1 1    8    8   60 o  189.238   6.0556   98.970   6.1808   98.757   9.0119   99.160   8.4931  188.914   8.8281  189.563   8.2914 -0.6490936 12.11121 
1 1 1    8    8   61 o   55.947   13.579   9.0119   5.0275   11.892   7.3447   6.4727   6.8963   61.847   19.595   50.047   18.804 11.79967 27.15738 
1 1 1    8    8   62 o  121.440   8.2860   42.354   5.4119   39.583   7.8492   44.865   7.4720  117.241   12.390  125.640   11.006 -8.399666 16.57196 
1 1 1    8    8   63 o  126.454   8.6246   45.701   5.8563   47.679   8.8578   44.165   7.8057  128.527   12.754  124.382   11.614 4.145500 17.24928 
1 1 1    8    8   64 f  154.782   7.5969   67.533   6.3284   74.647   9.4714   61.796   8.5056  162.035   10.817  147.528   10.669 14.50690 15.19380 
1 1 1    8    8   65 o   52.121   13.516   8.0622   5.5286   1.2108   8.1161   13.993   7.5515   41.416   18.335   62.825   19.865 -21.40925 27.03285 
1 1 1    8    8   66 o  126.308   8.6654   46.977   5.8945   50.673   8.7879   43.953   7.9475  130.621   12.450  121.996   12.056 8.624908 17.33073 
1 1 1    8    9    4 o  539.891   6.9938  788.245   20.401  796.219   29.147  780.587   28.564  542.565   9.9416  537.218   9.8395 5.346619 13.98757 
1 1 1    8    9    5 o  681.046   8.5080  1254.91   31.306  1239.62   43.796  1270.88   44.766  676.812   11.975  685.281   12.089 -8.468933 17.01608 
1 1 1    8    9    6 o  236.337   6.5184  150.985   8.3245   0.0000   0.0000  150.985   8.3245  ?   ?   236.337   6.5184      ?      ? 
1 1 1    8    9    7 o  233.848   5.0877  149.677   6.2159  140.315   10.009  155.555   7.9306  227.802   8.1309  239.894   6.1179 -12.09221 10.17548 
1 1 1    8    9    8 o  453.909   8.5504  557.152   20.972   0.0000   0.0000  557.152   20.972  ?   ?   453.909   8.5504      ?      ? 
1 1 1    8    9    9 o  979.248   11.857  2595.31   62.742   0.0000   0.0000  2595.31   62.742  ?   ?   979.248   11.857      ?      ? 
1 1 1    8    9   10 f  951.877   11.547  2452.15   59.395   0.0000   0.0000  2452.15   59.395  ?   ?   951.877   11.547      ?      ? 
1 1 1    8    9   11 o  755.422   11.389  1555.89   44.163  1518.24   74.819  1576.02   54.711  747.963   18.512  762.881   13.272 -14.91779 22.77758 
1 1 1    8    9   14 o  887.075   10.808  2133.38   51.807  2139.46   73.539  2127.39   72.997  888.322   15.320  885.827   15.250 2.494690 21.61639 
1 1 1    8    9   17 o  1217.74   14.680  4024.96   96.501  4118.71  140.234  3940.64  132.999  1231.09   21.080  1204.39   20.436 26.69617 29.35985 
1 1 1    8    9   18 o  295.258   9.5600  235.811   15.253  235.811   15.253   0.0000   0.0000  295.258   9.5600  ?   ?       ?      ? 
1 1 1    8    9   19 o   99.646   7.5826   25.942   3.9276   30.180   6.7161   23.739   4.8419  105.607   11.769   93.686   9.5642 11.92059 15.16523 
1 1 1    8    9   20 o  531.427   9.6346  764.547   27.666  761.712   39.269  767.342   38.984  530.442   13.700  532.411   13.550 -1.968323 19.26917 
1 1 1    8    9   21 o  1068.94   25.820  3108.11  149.139  3108.11  149.139   0.0000   0.0000  1068.94   25.820  ?   ?       ?      ? 
1 1 1    8    9   22 o  591.466   9.2709  915.966   27.015  874.920   31.842  1021.40   51.033  568.768   10.360  614.164   15.377 -45.39545 18.54176 
1 1 1    8    9   23 o  554.221   8.8663  822.085   24.535  854.279   44.557  808.076   29.393  561.787   14.678  546.655   9.9504 15.13190 17.73268 
1 1 1    8    9   24 o  487.723   9.1309  643.114   24.064   0.0000   0.0000  643.114   24.064  ?   ?   487.723   9.1309      ?      ? 
1 1 1    8    9   25 o  1130.07   13.601  3460.52   83.053  3465.00  117.761  3456.08  117.150  1130.80   19.272  1129.35   19.197 1.444092 27.20156 
1 1 1    8    9   26 o  968.209   11.750  2538.11   61.462  2506.77   85.913  2570.98   87.963  962.100   16.525  974.319   16.708 -12.21869 23.49952 
1 1 1    8    9   27 o  214.214   6.5540  124.027   7.5865   0.0000   0.0000  124.027   7.5865  ?   ?   214.214   6.5540      ?      ? 
1 1 1    8    9   28 o  703.302   8.7909  1338.21   33.408  1331.00   47.096  1345.51   47.398  701.395   12.426  705.208   12.438 -3.812500 17.58177 
1 1 1    8    9   29 o  701.918   8.7810  1332.23   33.292  1304.47   46.270  1362.03   47.938  694.348   12.332  709.488   12.504 -15.13971 17.56208 
1 1 1    8    9   30 o  167.465   7.0684   75.812   6.3964   0.0000   0.0000   75.812   6.3964  ?   ?   167.465   7.0684      ?      ? 
1 1 1    8    9   31 f  349.684   7.6532  330.610   14.461   0.0000   0.0000  330.610   14.461  ?   ?   349.684   7.6532      ?      ? 
1 1 1    8    9   32 o  644.626   8.2042  1120.86   28.504  1173.39   42.177  1076.71   38.672  658.459   11.854  630.793   11.346 27.66608 16.40844 
1 1 1    8    9   33 o  384.597   5.8000  399.945   12.050  401.200   17.268  398.755   16.824  385.181   8.2962  384.013   8.1077 1.168060 11.60008 
1 1 1    8    9   34 o  425.994   8.6985  490.815   20.023   0.0000   0.0000  490.815   20.023  ?   ?   425.994   8.6985      ?      ? 
1 1 1    8    9   35 o  648.778   9.9979  1152.56   33.720  1094.59   55.144  1187.17   42.617  635.346   16.062  662.209   11.910 -26.86249 19.99577 
1 1 1    8    9   36 o  238.275   5.5545  153.491   7.1481  146.692   10.002  160.587   10.219  232.882   7.9484  243.668   7.7610 -10.78613 11.10904 
1 1 1    8    9   37 o  908.725   15.822  2241.24   77.695  2241.24   77.695   0.0000   0.0000  908.725   15.822  ?   ?       ?      ? 
1 1 1    8    9   38 o  561.439   10.727  855.851   32.542  848.423   45.666  863.513   46.384  558.974   15.119  563.904   15.222 -4.929688 21.45433 
1 1 1    8    9   39 o  174.386   9.9610   82.408   9.3647   90.721   13.567   74.842   12.943  182.790   13.735  165.982   14.430 16.80762 19.92195 
1 1 1    8    9   40 o  191.484   5.9307   99.433   6.1210   96.531   8.9034  102.034   8.4289  188.814   8.7263  194.154   8.0341 -5.339737 11.86150 
1 1 1    8    9   41 o  416.347   6.1004  469.490   13.724  470.952   19.506  468.056   19.313  416.986   8.6569  415.709   8.5976 1.277130 12.20086 
1 1 1    8    9   42 o  312.885   5.4779  264.128   9.2429  281.736   13.607  249.041   12.595  322.525   7.8073  303.245   7.6861 19.27960 10.95585 
1 1 1    8    9   43 o  287.267   5.3580  223.510   8.3138  214.833   11.679  232.426   11.838  281.605   7.6749  292.928   7.4785 -11.32330 10.71598 
1 1 1    8    9   44 o  107.615   8.1075   31.552   4.6997   30.920   6.8869   32.103   6.4294  106.571   11.959  108.658   10.950 -2.086563 16.21495 
1 1 1    8    9   45 o  408.384   6.0369  452.490   13.316  459.029   19.182  446.409   18.498  411.209   8.6328  405.559   8.4409 5.649689 12.07372 
1 1 1    8    9   46 o  132.738   6.9574   48.085   4.9551   41.322   6.9740   54.980   7.0418  123.221   10.474  142.255   9.1606 -19.03444 13.91475 
1 1 1    8    9   47 o  142.555   6.5443   55.264   5.0400   53.580   7.0672   57.007   7.1895  140.339   9.3192  144.771   9.1903 -4.431702 13.08852 
1 1 1    8    9   48 o  441.628   6.3406  530.802   15.130  536.634   21.595  525.180   21.203  443.997   9.0009  439.258   8.9329 4.739166 12.68123 
1 1 1    8    9   49 o  372.915   5.8005  377.534   11.677  359.973   16.095  397.048   16.966  363.783   8.1878  382.048   8.2183 -18.26517 11.60092 
1 1 1    8    9   50 o   55.799   12.482   8.5725   4.3112   6.0616   6.2338   10.874   5.9688   50.110   18.037   61.489   17.258 -11.37881 24.96344 
1 1 1    8    9   51 o  128.906   7.0692   45.459   4.8681   55.092   7.0793   36.816   6.7051  141.978   9.2274  115.834   10.712 26.14413 14.13847 
1 1 1    8    9   52 f  127.113   7.2198   44.297   4.9569   45.319   7.1435   43.347   6.8839  128.513   10.287  125.714   10.134 2.798851 14.43964 
1 1 1    8    9   53 o  177.485   5.9042   86.056   5.6594   88.442   8.1731   83.858   7.8441  179.831   8.4108  175.139   8.2884 4.691849 11.80843 
1 1 1    8    9   54 o   66.150   11.869   12.480   4.4587   19.091   6.6216   6.9946   6.0309   80.972   15.700   51.328   17.804 29.64325 23.73800 
1 1 1    8    9   55 o  280.120   7.2411  216.938   10.955  212.635   15.642  221.081   15.347  277.269   10.440  282.970   10.037 -5.701233 14.48219 
1 1 1    8    9   56 f  109.139   10.123   33.877   5.9325   30.541   8.5443   36.982   8.2433  103.587   15.265  114.691   13.301 -11.10416 20.24655 
1 1 1    8    9   57 o   71.202   12.821   15.715   5.0929   19.994   6.9405   10.723   7.4966   82.060   16.227   60.345   19.854 21.71495 25.64169 
1 1 1    8    9   58 o  174.763   6.2646   84.431   5.9125   82.411   8.4365   86.380   8.2887  172.627   9.0441  176.899   8.6710 -4.272400 12.52926 
1 1 1    8    9   59 o  118.557   8.1136   39.272   5.1849   43.063   7.6273   36.015   7.0696  123.882   11.394  113.233   11.554 10.64893 16.22714 
1 1 1    8    9   60 o  142.022   7.3975   56.804   5.6461   52.197   8.1732   61.009   7.8090  136.161   11.108  147.883   9.7721 -11.72191 14.79492 
1 1 1    8    9   61 o  105.856   9.0504   32.111   5.1670   31.793   7.5144   32.396   7.1164  105.156   13.224  106.556   12.359 -1.399300 18.10071 
1 1 1    8    9   62 o  123.601   8.8967   44.713   5.8494   37.245   8.4310   51.644   8.1222  112.663   13.849  134.539   11.172 -21.87611 17.79331 
1 1 1    8    9   63 o  194.067   6.5559  104.495   6.8432  113.979   10.301   97.003   9.1556  201.761   9.4483  186.373   9.0910 15.38803 13.11175 
1 1 1    8    9   64 f   69.747   13.085   15.375   5.6500   27.503   8.5214   5.8604   7.5476   91.786   17.823   47.708   19.163 44.07764 26.17035 
1 1 1    8    9   65 o  144.272   8.0405   61.155   6.1762   52.664   9.0301   68.617   8.4660  133.702   12.499  154.842   10.118 -21.14014 16.08091 
1 1 1    8    9   66 o   49.192   13.783   7.1348   5.6392   3.3989   8.3148   10.317   7.6737   43.952   19.025   54.432   19.948 -10.47981 27.56618 
1 1 1    8   10    0 o  747.901   9.2702  1514.15   37.461  1526.13   53.421  1502.56   52.546  750.805   13.167  744.997   13.053 5.807495 18.54048 
1 1 1    8   10    1 o  602.982   7.6911  983.307   25.052  999.217   35.977  968.331   34.905  607.709   10.956  598.255   10.797 9.453674 15.38214 
1 1 1    8   10    4 o  693.651   8.6947  1302.36   32.590  1300.28   46.077  1304.45   46.102  693.095   12.303  694.207   12.290 -1.112183 17.38942 
1 1 1    8   10    5 o  400.719   5.7596  434.092   12.469  439.037   17.861  429.391   17.414  402.942   8.2032  398.496   8.0871 4.446594 11.51925 
1 1 1    8   10    6 o  1581.60   18.953  6805.55  161.723  6595.88  221.301  7045.87  236.919  1555.75   26.324  1607.44   27.276 -51.68787 37.90689 
1 1 1    8   10    7 o  865.217   14.927  2028.31   69.788   0.0000   0.0000  2028.31   69.788  ?   ?   865.217   14.927      ?      ? 
1 1 1    8   10    8 o  1038.29   12.548  2918.65   70.403   0.0000   0.0000  2918.65   70.403  ?   ?   1038.29   12.548      ?      ? 
1 1 1    8   10    9 o  602.530   7.6928  981.659   25.047   0.0000   0.0000  981.659   25.047  ?   ?   602.530   7.6928      ?      ? 
1 1 1    8   10   10 o   89.290   8.7528   21.564   4.2232   0.0000   0.0000   21.564   4.2232  ?   ?    89.290   8.7528      ?      ? 
1 1 1    8   10   11 o  816.224   11.571  1816.58   44.460  1787.61   87.705  1826.61   51.578  811.030   20.012  821.418   11.620 -10.38800 23.14133 
1 1 1    8   10   12 o  638.021   16.139  1104.05   55.641  1104.05   55.641   0.0000   0.0000  638.021   16.139  ?   ?       ?      ? 
1 1 1    8   10   13 o  362.272   6.6095  348.752   12.017  371.847   21.748  338.602   14.418  370.675   10.858  353.869   7.5401 16.80652 13.21893 
1 1 1    8   10   14 f  183.806   6.4322   90.812   6.3525   96.532   9.6105   86.374   8.4656  188.907   9.4148  178.706   8.7666 10.20103 12.86440 
1 1 1    8   10   15 o  545.018   9.9379  803.109   29.219  829.955   42.826  779.730   39.966  553.496   14.319  536.540   13.785 16.95618 19.87579 
1 1 1    8   10   16 o  801.605   13.925  1744.09   60.304  1717.57   84.172  1772.07   86.439  795.366   19.584  807.843   19.801 -12.47748 27.85045 
1 1 1    8   10   17 o  396.429   7.8530  425.145   16.811  427.252   24.261  423.198   23.315  397.364   11.299  395.495   10.910 1.869720 15.70596 
1 1 1    8   10   18 o  501.523   8.0059  685.395   20.844  698.645   26.213  662.612   34.373  508.261   9.5444  494.784   12.856 13.47684 16.01177 
1 1 1    8   10   19 o  691.051   12.200  1292.24   45.559   0.0000   0.0000  1292.24   45.559  ?   ?   691.051   12.200      ?      ? 
1 1 1    8   10   20 o  782.307   19.443  1659.69   82.192   0.0000   0.0000  1659.69   82.192  ?   ?   782.307   19.443      ?      ? 
1 1 1    8   10   21 o  458.003   12.624  567.568   31.242   0.0000   0.0000  567.568   31.242  ?   ?   458.003   12.624      ?      ? 
1 1 1    8   10   22 o  773.441   11.747  1617.24   46.050  1627.70   80.677  1612.18   56.084  774.992   19.265  771.890   13.446 3.101501 23.49321 
1 1 1    8   10   23 o  280.274   6.1111  210.207   8.4224  217.545   15.697  207.241   9.9808  283.641   10.241  276.907   6.6703 6.734192 12.22214 
1 1 1    8   10   24 o  1228.42   14.757  4089.41   97.919  4019.67  136.202  4164.01  140.873  1217.62   20.701  1239.22   21.037 -21.59839 29.51423 
1 1 1    8   10   25 o  1285.06   15.427  4478.77  107.102  4420.07  149.578  4540.54  153.426  1276.45   21.686  1293.66   21.948 -17.21423 30.85419 
1 1 1    8   10   26 o  629.593   8.0084  1072.07   27.242  1078.90   38.876  1065.48   38.185  631.560   11.392  627.627   11.259 3.932922 16.01680 
1 1 1    8   10   27 o  730.314   9.0963  1443.04   35.896  1430.31   50.454  1456.09   51.080  727.054   12.842  733.573   12.886 -6.519348 18.19264 
1 1 1    8   10   28 o  1480.47   17.727  5955.87  141.785  5886.70  198.162  6028.43  202.952  1471.72   24.918  1489.23   25.220 -17.50391 35.45333 
1 1 1    8   10   29 o  316.703   7.3970  271.155   12.659   0.0000   0.0000  271.155   12.659  ?   ?   316.703   7.3970      ?      ? 
1 1 1    8   10   30 o  771.659   9.5863  1611.33   39.956  1577.66   55.522  1647.50   57.545  763.316   13.461  780.003   13.653 -16.68719 19.17264 
1 1 1    8   10   31 o  600.232   7.7971  974.625   25.287  961.033   35.446  988.709   36.084  595.974   11.007  604.491   11.047 -8.517395 15.59427 
1 1 1    8   10   32 o  375.408   5.7641  381.093   11.690  380.839   16.709  381.337   16.361  375.282   8.2396  375.534   8.0627 -0.2519226 11.52818 
1 1 1    8   10   33 o  483.364   6.6459  631.836   17.356  619.342   24.307  644.834   24.791  478.490   9.4007  488.238   9.3968 -9.748138 13.29185 
1 1 1    8   10   34 o  826.401   10.225  1848.61   45.627  1801.90   63.074  1899.90   66.084  815.485   14.314  837.318   14.606 -21.83252 20.45000 
1 1 1    8   10   35 o  876.444   10.806  2082.82   51.159  2112.53   73.593  2055.03   71.167  882.456   15.433  870.432   15.131 12.02417 21.61284 
1 1 1    8   10   36 o  131.984   13.114   50.312   8.4941   55.946   10.697   40.698   13.974  143.652   13.780  120.315   22.316 23.33649 26.22764 
1 1 1    8   10   37 o  872.489   21.819  2077.25  102.870  2077.25  102.870   0.0000   0.0000  872.489   21.819  ?   ?       ?      ? 
1 1 1    8   10   38 o  497.624   14.148  672.523   38.044  672.523   38.044   0.0000   0.0000  497.624   14.148  ?   ?       ?      ? 
1 1 1    8   10   39 o  224.530   7.2447  129.467   7.8954  152.950   15.477  121.206   9.1798  237.447   12.062  211.613   8.0279 25.83403 14.48932 
1 1 1    8   10   40 o  310.862   5.5557  261.288   9.3247  269.139   13.526  254.176   12.873  315.301   7.9388  306.424   7.7742 8.877380 11.11140 
1 1 1    8   10   41 o  366.151   5.7528  362.707   11.375  349.342   15.765  377.224   16.430  359.124   8.1236  373.177   8.1478 -14.05310 11.50565 
1 1 1    8   10   42 o  304.637   5.4480  251.108   8.9593  257.549   13.021  245.316   12.347  308.332   7.8150  300.942   7.5926 7.389465 10.89594 
1 1 1    8   10   43 o  210.858   5.5588  120.206   6.3254  126.587   9.2358  114.568   8.6809  216.112   7.9087  205.604   7.8135 10.50780 11.11752 
1 1 1    8   10   44 o  675.047   8.6341  1242.51   31.494  1235.69   44.392  1249.42   44.689  673.186   12.203  676.908   12.217 -3.721985 17.26815 
1 1 1    8   10   45 o  135.934   6.9813   50.019   5.1121   52.937   7.6029   47.611   6.9063  139.518   10.085  132.350   9.6568 7.167892 13.96258 
1 1 1    8   10   46 o  193.343   5.6846  101.273   5.9327  106.937   8.6220   96.179   8.1761  198.467   8.0396  188.219   8.0388 10.24734 11.36916 
1 1 1    8   10   47 o  325.338   5.5120  287.478   9.6882  290.039   13.864  285.034   13.544  326.741   7.8522  323.935   7.7377 2.805328 11.02398 
1 1 1    8   10   48 o  176.366   5.9754   84.481   5.6895   88.186   8.2639   81.143   7.8447  180.028   8.4949  172.703   8.4060 7.325333 11.95086 
1 1 1    8   10   49 o  149.606   6.6316   60.935   5.3554   63.689   7.7946   58.473   7.3706  152.792   9.4408  146.420   9.3157 6.372162 13.26313 
1 1 1    8   10   50 o  288.792   5.4896  226.808   8.5607  235.529   12.391  218.845   11.841  294.086   7.7975  283.497   7.7293 10.58810 10.97922 
1 1 1    8   10   51 o  127.217   7.2891   44.387   5.0006   44.449   7.3102   44.332   6.8555  127.240   10.632  127.195   9.9742 0.4523468E-01 14.57828 
1 1 1    8   10   52 o  120.878   7.7125   40.211   5.0349   42.131   7.2047   38.378   7.0389  123.724   10.776  118.031   11.036 5.692780 15.42498 
1 1 1    8   10   53 o  108.528   9.6441   32.143   5.4080   35.586   9.2815   30.373   6.6542  112.360   15.287  104.695   11.762 7.665131 19.28813 
1 1 1    8   10   54 o  251.616   7.2024  171.260   9.6825  198.491   15.144  152.432   12.593  268.061   10.455  235.172   9.9092 32.88878 14.40484 
1 1 1    8   10   55 o  102.367   11.024   29.752   6.0066   30.428   9.3661   29.279   7.8285  102.911   16.843  101.823   14.228 1.088440 22.04793 
1 1 1    8   10   56 o  142.594   6.8032   56.118   5.2373   57.909   7.6064   54.503   7.2219  144.719   9.7267  140.468   9.5145 4.250824 13.60644 
1 1 1    8   10   57 o   88.064   10.594   22.450   4.9072   25.743   7.1469   19.512   6.7498   95.120   13.905   81.008   15.987 14.11258 21.18816 
1 1 1    8   10   58 o  116.980   8.3208   38.413   5.2419   42.962   7.5966   34.278   7.2425  123.734   11.362  110.226   12.160 13.50771 16.64158 
1 1 1    8   10   59 o  107.126   9.0186   32.471   5.2118   34.608   7.6417   30.613   7.1264  110.388   12.811  103.865   12.697 6.523094 18.03723 
1 1 1    8   10   60 o   63.463   13.634   12.528   5.0686   13.449   7.5678   11.780   6.8256   65.326   19.757   61.600   18.793 3.726257 27.26706 
1 1 1    8   10   61 o   58.297   13.673   9.9438   5.2711   15.629   7.8340   5.2407   7.1253   69.154   19.895   47.440   18.762 21.71340 27.34670 
1 1 1    8   10   62 o   30.458   10.410 -10.5961   5.2874 -15.3243   7.7697  -6.5177   7.2161   28.196   13.934   32.720   15.469 -4.524071 20.81971 
1 1 1    8   10   63 o   45.245   13.324   3.4121   5.4097   2.1200   8.0947   4.4549   7.2722   44.259   18.960   46.232   18.725 -1.973217 26.64814 
1 1 1    8   10   64 o   53.165   13.711   8.6161   5.7672   0.7783   8.6489   14.891   7.7388   41.803   18.690   64.527   20.066 -22.72394 27.42189 
1 1 1    8   10   65 o   88.765   12.361   25.975   5.7608   21.759   8.4388   29.655   7.8835   79.290   19.765   98.240   14.851 -18.95030 24.72251 
1 1 1    8   11    0 o  469.305   8.8381  596.162   22.410  602.703   31.999  589.865   31.396  471.827   12.551  466.783   12.447 5.044312 17.67622 
1 1 1    8   11    1 o  937.282   16.146  2388.91   81.759  2360.36  114.214  2418.92  117.089  931.580   22.689  942.985   22.979 -11.40491 32.29239 
1 1 1    8   11    2 o  526.976   9.6732  751.451   27.528  733.784   38.113  770.721   39.803  520.519   13.550  533.434   13.809 -12.91541 19.34647 
1 1 1    8   11    3 o  857.333   14.840  1992.11   68.604  2076.13  101.045  1920.27   93.442  873.960   21.396  840.707   20.569 33.25299 29.67936 
1 1 1    8   11    4 o  525.295   9.6289  747.173   27.326  756.982   39.132  737.838   38.175  528.651   13.699  521.939   13.535 6.712158 19.25770 
1 1 1    8   11    5 o  1004.59   17.250  2748.82   93.639  2756.76  132.862  2740.99  131.993  1006.01   24.440  1003.16   24.350 2.850708 34.49973 
1 1 1    8   11    6 f  236.687   6.0897  151.450   7.7866  148.536   10.866  154.527   11.164  234.349   8.5805  239.026   8.6435 -4.677521 12.17930 
1 1 1    8   11    7 o  978.554   16.797  2597.77   88.821   0.0000   0.0000  2597.77   88.821  ?   ?   978.554   16.797      ?      ? 
1 1 1    8   11    8 o  880.685   15.201  2102.70   72.338   0.0000   0.0000  2102.70   72.338  ?   ?   880.685   15.201      ?      ? 
1 1 1    8   11    9 o  746.859   13.063  1510.85   52.720   0.0000   0.0000  1510.85   52.720  ?   ?   746.859   13.063      ?      ? 
1 1 1    8   11   11 o  849.329   14.680  1954.69   67.375   0.0000   0.0000  1954.69   67.375  ?   ?   849.329   14.680      ?      ? 
1 1 1    8   11   12 o  761.664   18.852  1574.78   77.591   0.0000   0.0000  1574.78   77.591  ?   ?   761.664   18.852      ?      ? 
1 1 1    8   11   13 o  256.473   5.8979  172.867   7.7241  163.371   9.3689  193.018   13.648  245.820   7.0532  267.126   9.4549 -21.30643 11.79584 
1 1 1    8   11   14 o  1147.77   13.896  3556.59   85.776  3384.95  114.793  3773.57  129.068  1116.76   19.023  1178.77   20.263 -62.00598 27.79285 
1 1 1    8   11   15 o  811.599   9.9984  1783.78   43.849  1782.36   62.052  1785.20   61.972  811.275   14.155  811.924   14.125 -0.6489258 19.99671 
1 1 1    8   11   17 o  796.440   9.8584  1717.25   42.427  1711.96   59.930  1722.56   60.073  795.210   13.947  797.670   13.937 -2.460754 19.71683 
1 1 1    8   11   19 o  474.536   8.0022  599.433   19.000  584.115   22.757  634.685   34.523  464.788   9.0609  484.284   13.192 -19.49594 16.00435 
1 1 1    8   11   20 o  383.862   7.0429  401.251   13.833  407.353   17.085  389.640   23.569  388.181   8.1452  379.542   11.492 8.639221 14.08581 
1 1 1    8   11   21 f  1134.69   16.724  3514.74   97.521  3425.68  164.756  3562.76  120.993  1122.77   27.156  1146.61   19.528 -23.84033 33.44813 
1 1 1    8   11   22 o  1153.32   17.085  3600.92   99.881  3637.39  175.083  3583.32  121.611  1156.73   28.011  1149.91   19.571 6.827759 34.17070 
1 1 1    8   11   23 o  677.757   8.5387  1242.59   31.271  1235.85   44.080  1249.41   44.370  675.908   12.069  679.605   12.082 -3.697021 17.07739 
1 1 1    8   11   24 o  585.436   7.5841  925.089   23.962  891.128   32.899  963.463   34.972  574.021   10.606  596.851   10.843 -22.82928 15.16817 
1 1 1    8   11   25 o  432.502   8.5500  505.726   19.982   0.0000   0.0000  505.726   19.982  ?   ?   432.502   8.5500      ?      ? 
1 1 1    8   11   26 o   98.075   7.8202   26.239   4.0563   24.875   6.3400   27.184   5.2779   95.887   12.236  100.263   9.7417 -4.375641 15.64037 
1 1 1    8   11   27 o  944.275   11.538  2412.66   58.827  2349.69   81.265  2481.98   85.268  931.371   16.147  957.179   16.486 -25.80774 23.07600 
1 1 1    8   11   28 o  681.863   8.6377  1255.97   31.789  1212.95   43.686  1304.39   46.344  669.487   12.076  694.239   12.354 -24.75153 17.27535 
1 1 1    8   11   29 o  367.569   5.6811  365.325   11.277  365.264   16.231  365.383   15.680  367.535   8.1725  367.604   7.8937 -0.6973267E-01 11.36226 
1 1 1    8   11   30 o  1378.16   16.560  5163.06  123.287  5086.66  171.852  5244.07  176.968  1367.72   23.252  1388.60   23.585 -20.87378 33.11968 
1 1 1    8   11   31 o  986.445   12.035  2635.45   64.092  2565.35   88.395  2713.14   93.065  972.676   16.818  1000.22   17.219 -27.53839 24.06925 
1 1 1    8   11   32 o  377.994   5.9111  386.290   12.069  371.625   16.921  401.478   17.220  370.689   8.4476  385.298   8.2707 -14.60916 11.82225 
1 1 1    8   11   33 o  374.551   5.8808  379.380   11.896  380.093   17.107  378.713   16.555  374.886   8.4446  374.216   8.1868 0.6699524 11.76158 
1 1 1    8   11   34 o  703.686   11.013  1350.19   39.667  1364.92   48.963  1322.07   67.665  709.773   12.766  697.598   17.950 12.17529 22.02695 
1 1 1    8   11   35 o  276.521   8.6731  207.184   12.958  209.797   18.248  204.527   18.403  278.288   12.135  274.754   12.395 3.533447 17.34626 
1 1 1    8   11   36 o  160.623   16.300   70.090   14.148   0.0000   0.0000   70.090   14.148  ?   ?   160.623   16.300      ?      ? 
1 1 1    8   11   37 o  448.532   13.667  546.171   33.125   0.0000   0.0000  546.171   33.125  ?   ?   448.532   13.667      ?      ? 
1 1 1    8   11   38 o  431.303   8.8477  505.520   20.567  493.243   29.975  516.441   28.273  426.271   13.013  436.334   11.991 -10.06262 17.69539 
1 1 1    8   11   39 o  635.761   8.2179  1096.65   28.232  1094.11   39.877  1099.21   39.975  635.022   11.621  636.500   11.623 -1.478027 16.43582 
1 1 1    8   11   40 o  359.347   5.7560  349.707   11.172  351.423   16.067  348.102   15.544  360.187   8.2549  358.506   8.0238 1.680756 11.51191 
1 1 1    8   11   41 o  116.482   8.1523   36.450   5.0808   39.773   7.8720   34.077   6.6518  120.950   12.045  112.014   10.990 8.936218 16.30469 
1 1 1    8   11   42 o  381.739   5.9260  395.035   12.223  389.563   17.176  400.651   17.399  379.059   8.3855  384.418   8.3758 -5.358276 11.85205 
1 1 1    8   11   43 o  191.725   5.8691   99.886   6.0668   96.939   8.8024  102.553   8.3731  188.996   8.6191  194.454   7.9686 -5.458420 11.73826 
1 1 1    8   11   44 o  254.771   5.4556  176.162   7.5053  169.813   10.671  182.377   10.559  250.203   7.8923  259.339   7.5344 -9.136429 10.91125 
1 1 1    8   11   45 o  124.268   7.6460   42.574   5.0714   37.402   7.4619   47.013   6.9136  117.073   11.795  131.464   9.7322 -14.39160 15.29191 
1 1 1    8   11   46 o   62.341   12.785   10.994   4.5396   11.477   6.7866   10.602   6.1069   63.584   18.583   61.097   17.563 2.486843 25.56901 
1 1 1    8   11   47 o  283.311   5.4708  218.222   8.3707  213.397   11.948  222.873   11.731  280.202   7.8911  286.421   7.5794 -6.219208 10.94154 
1 1 1    8   11   48 o  106.782   8.5694   31.341   4.9220   30.623   7.2690   31.948   6.6886  105.565   12.743  107.998   11.461 -2.433174 17.13878 
1 1 1    8   11   49 o  167.615   6.3167   76.726   5.7160   74.839   8.1948   78.513   7.9768  165.564   9.1598  169.665   8.7005 -4.101486 12.63336 
1 1 1    8   11   50 o  231.692   5.6012  146.303   7.0101  146.363   10.048  146.247   9.7850  231.711   8.0249  231.672   7.8163 0.3903198E-01 11.20234 
1 1 1    8   11   51 o  103.862   8.8860   29.093   4.9164   36.857   7.6285   23.577   6.4299  115.480   12.225   92.244   12.900 23.23528 17.77209 
1 1 1    8   11   52 o  205.810   7.3358  116.056   8.0681  120.676   12.465  112.725   10.584  209.059   11.034  202.560   9.6700 6.499222 14.67157 
1 1 1    8   11   53 o  148.160   8.5398   59.147   6.7098   70.901   10.840   51.847   8.5429  159.559   12.573  136.761   11.560 22.79861 17.07957 
1 1 1    8   11   54 o  109.403   9.6756   33.500   5.6978   31.742   7.6605   35.676   8.5243  106.318   13.334  112.488   14.024 -6.169243 19.35114 
1 1 1    8   11   55 o  208.313   5.7505  119.059   6.4609  109.588   9.0433  128.932   9.2337  199.755   8.3781  216.872   7.8793 -17.11694 11.50108 
1 1 1    8   11   56 o   55.482   12.079   6.7211   4.7273   16.788   7.1213  -1.2100   6.3210   74.369   17.930   36.595   16.192 37.77332 24.15896 
1 1 1    8   11   57 o   58.241   12.742   10.071   4.6834   5.4729   6.8781   14.045   6.3948   48.581   18.654   67.901   17.361 -19.31930 25.48324 
1 1 1    8   11   58 o   87.418   11.066   22.490   5.0711   22.063   7.6097   22.832   6.8015   85.516   17.066   89.320   14.092 -3.803558 22.13186 
1 1 1    8   11   59 o  140.312   7.5790   55.362   5.7175   54.709   8.4866   55.904   7.7368  139.267   11.277  141.357   10.129 -2.090317 15.15800 
1 1 1    8   11   60 o   73.817   12.730   16.285   5.3201   26.615   8.1346   8.5640   7.0326   93.430   16.727   54.204   19.195 39.22579 25.46009 
1 1 1    8   11   61 o   75.050   11.734   16.181   5.5074   33.276   8.3468   2.9998   7.3292  106.100   14.559   44.001   18.405 62.09919 23.46716 
1 1 1    8   11   62 o  100.863   11.687   30.594   6.0020   43.138   8.9630   20.395   8.0816  121.848   13.613   79.879   19.000 41.96947 23.37311 
1 1 1    8   11   63 o  272.168   6.2634  209.904   9.2041  201.034   13.039  218.712   12.994  266.135   9.0669  278.201   8.6436 -12.06583 12.52683 
1 1 1    8   11   64 o  132.677   8.8671   51.690   6.3279   53.769   9.4763   50.016   8.5010  134.642   13.025  130.712   12.036 3.929871 17.73413 
1 1 1    8   11   65 o  192.419   6.8747  106.949   7.1176  107.184   10.553  106.753   9.6408  192.025   10.170  192.813   9.2531 -0.7875671 13.74935 
1 1 1    8   12    1 o  707.591   8.9120  1348.27   33.923  1434.07   50.963  1280.01   45.456  727.643   12.961  687.540   12.235 40.10242 17.82403 
1 1 1    8   12    2 o  631.674   11.400  1080.13   38.914   0.0000   0.0000  1080.13   38.914  ?   ?   631.674   11.400      ?      ? 
1 1 1    8   12    3 o  261.607   6.8914  185.037   9.7419   0.0000   0.0000  185.037   9.7419  ?   ?   261.607   6.8914      ?      ? 
1 1 1    8   12    4 o  450.709   6.2861  547.549   15.271  575.873   22.589  523.706   20.725  461.396   9.0601  440.021   8.7165 21.37485 12.57227 
1 1 1    8   12    5 o  708.747   8.9144  1359.97   34.136  1343.71   47.768  1376.95   48.799  704.425   12.549  713.070   12.665 -8.645020 17.82887 
1 1 1    8   12    6 o  679.525   9.7510  1265.86   31.764  1218.24   60.589  1283.91   37.302  670.184   16.731  688.865   10.021 -18.68134 19.50207 
1 1 1    8   12    7 o  407.110   5.8780  448.008   12.931   0.0000   0.0000  448.008   12.931  ?   ?   407.110   5.8780      ?      ? 
1 1 1    8   12    8 o   39.419   13.705   3.7515   3.5745   0.0000   0.0000   3.7515   3.5745  ?   ?    39.419   13.705      ?      ? 
1 1 1    8   12    9 o  285.819   7.7741  220.894   12.007   0.0000   0.0000  220.894   12.007  ?   ?   285.819   7.7741      ?      ? 
1 1 1    8   12   10 o  230.176   5.0984  143.195   6.3414   0.0000   0.0000  143.195   6.3414  ?   ?   230.176   5.0984      ?      ? 
1 1 1    8   12   11 o  645.638   8.2173  1127.21   28.669   0.0000   0.0000  1127.21   28.669  ?   ?   645.638   8.2173      ?      ? 
1 1 1    8   12   12 o  435.231   6.9869  511.935   14.186  513.288   28.518  511.490   16.353  435.487   12.119  434.976   6.9572 0.5106812 13.97375 
1 1 1    8   12   15 o  722.576   12.825  1413.05   50.074   0.0000   0.0000  1413.05   50.074  ?   ?   722.576   12.825      ?      ? 
1 1 1    8   12   16 o  692.417   8.7111  1296.88   32.583  1313.30   46.775  1281.40   45.415  696.665   12.425  688.170   12.213 8.495300 17.42229 
1 1 1    8   12   17 o  725.126   9.0648  1422.49   35.514  1405.89   49.715  1439.79   50.749  720.811   12.764  729.440   12.875 -8.628967 18.12968 
1 1 1    8   12   18 o  742.147   13.138  1490.30   52.688  1490.30   52.688   0.0000   0.0000  742.147   13.138  ?   ?       ?      ? 
1 1 1    8   12   19 o  343.644   11.045  319.369   20.510   0.0000   0.0000  319.369   20.510  ?   ?   343.644   11.045      ?      ? 
1 1 1    8   12   20 o  316.009   10.614  270.045   18.125  270.045   18.125   0.0000   0.0000  316.009   10.614  ?   ?       ?      ? 
1 1 1    8   12   21 f  1012.89   15.101  2782.67   77.817  2781.53  135.090  2783.23   95.199  1012.09   24.701  1013.69   17.380 -1.594604 30.20251 
1 1 1    8   12   22 o  124.804   6.8517   40.497   4.5280   53.480   7.2278   32.111   5.8092  140.636   9.5108  108.971   9.8654 31.66507 13.70339 
1 1 1    8   12   23 o  245.724   5.2140  163.062   6.9179  166.945   10.022  159.528   9.5614  248.514   7.4627  242.934   7.2836 5.580185 10.42793 
1 1 1    8   12   24 o  796.375   13.946  1716.49   60.013   0.0000   0.0000  1716.49   60.013  ?   ?   796.375   13.946      ?      ? 
1 1 1    8   12   25 o  1049.19   12.759  2982.05   72.316  2935.78  100.860  3031.00  103.740  1040.84   17.933  1057.55   18.153 -16.70642 25.51732 
1 1 1    8   12   26 o  359.936   5.6725  350.343   11.030  346.614   15.745  353.935   15.455  358.052   8.1378  361.821   7.9049 -3.768341 11.34509 
1 1 1    8   12   27 o  358.205   7.9086  346.926   15.308   0.0000   0.0000  346.926   15.308  ?   ?   358.205   7.9086      ?      ? 
1 1 1    8   12   28 o  360.067   5.7543  350.781   11.189  339.664   15.915  361.647   15.734  354.416   8.3102  365.717   7.9617 -11.30154 11.50863 
1 1 1    8   12   29 o  1131.96   13.705  3476.12   83.809  3423.11  116.873  3532.23  120.246  1123.12   19.258  1140.81   19.506 -17.69641 27.41056 
1 1 1    8   12   30 o  489.978   6.7806  647.958   17.915  671.152   26.369  628.071   24.416  498.091   9.7970  481.865   9.3769 16.22592 13.56126 
1 1 1    8   12   31 o  914.118   15.843  2265.47   78.256   0.0000   0.0000  2265.47   78.256  ?   ?   914.118   15.843      ?      ? 
1 1 1    8   12   32 o   71.001   13.259   14.448   5.1367   11.986   8.2270   16.021   6.5760   66.608   20.685   75.394   16.591 -8.785606 26.51707 
1 1 1    8   12   33 o  160.644   9.6982   66.918   7.8887   61.817   9.4551   78.604   14.310  151.083   11.582  170.205   15.559 -19.12257 19.39632 
1 1 1    8   12   34 o  657.688   12.160  1173.92   43.190  1147.07   59.824  1203.15   62.419  649.873   17.036  665.503   17.357 -15.63049 24.32055 
1 1 1    8   12   35 o  515.768   10.269  721.948   28.618  720.495   40.320  723.423   40.626  515.252   14.482  516.285   14.562 -1.033020 20.53726 
1 1 1    8   12   36 o  522.620   8.8379  748.106   23.579  718.694   40.232  763.493   29.101  514.360   14.475  530.879   10.144 -16.51862 17.67581 
1 1 1    8   12   37 o  365.361   7.1538  370.315   13.485  330.631   22.026  394.107   17.055  349.159   11.674  381.563   8.2716 -32.40417 14.30765 
1 1 1    8   12   38 o  338.876   5.7450  310.992   10.516  300.296   14.865  321.706   14.877  333.030   8.2604  344.722   7.9867 -11.69168 11.49010 
1 1 1    8   12   39 o   80.028   12.589   18.180   5.3025   17.858   7.4100   18.518   7.5910   79.299   17.737   80.757   17.868 -1.457703 25.17702 
1 1 1    8   12   40 o  457.985   6.5454  568.788   16.197  569.620   23.085  567.982   22.730  458.303   9.3217  457.667   9.1911 0.6359558 13.09087 
1 1 1    8   12   41 o  230.234   5.6835  143.683   7.0357  125.301   9.7937  163.287   10.114  214.979   8.4307  245.489   7.6243 -30.51021 11.36691 
1 1 1    8   12   42 o  308.061   5.5855  257.446   9.2913  245.736   13.118  269.235   13.162  301.005   8.0649  315.117   7.7297 -14.11237 11.17096 
1 1 1    8   12   43 o  268.292   7.6983  195.216   11.161   0.0000   0.0000  195.216   11.161  ?   ?   268.292   7.6983      ?      ? 
1 1 1    8   12   44 o  171.923   6.2191   80.202   5.7623   81.508   8.4929   79.088   7.8440  173.188   9.0750  170.658   8.5060 2.530472 12.43815 
1 1 1    8   12   45 o  319.027   5.6272  276.524   9.6943  274.532   13.940  278.389   13.491  317.881   8.1156  320.174   7.7975 -2.292877 11.25448 
1 1 1    8   12   46 o  124.532   7.7091   42.609   5.1497   40.003   7.6128   44.808   6.9921  120.902   11.653  128.161   10.096 -7.259033 15.41813 
1 1 1    8   12   47 o  367.445   5.8381  367.384   11.590  358.352   16.371  376.457   16.409  362.889   8.3485  372.001   8.1631 -9.112244 11.67623 
1 1 1    8   12   48 o   90.510   10.275   22.794   4.8885   26.585   7.2685   19.663   6.6056   98.088   13.713   82.932   15.304 15.15649 20.54912 
1 1 1    8   12   49 o  219.033   5.7344  130.811   6.7773  130.382   9.8426  131.198   9.3458  218.637   8.3310  219.429   7.8820 -0.7921906 11.46872 
1 1 1    8   12   50 o   44.042   13.315   0.5682   5.5245   0.0446   8.8210   0.9061   7.0865   45.655   19.679   42.428   17.942 3.226852 26.63039 
1 1 1    8   12   51 o  267.711   7.3579  197.310   10.573  197.072   15.882  197.500   14.169  267.276   10.997  268.145   9.7788 -0.8689880 14.71581 
1 1 1    8   12   52 o  149.390   8.8351   60.374   6.9906   70.743   11.335   54.009   8.8805  159.217   13.175  139.564   11.775 19.65245 17.67021 
1 1 1    8   12   53 o  196.842   6.1127  106.574   6.4848  103.279   9.4286  109.531   8.9332  193.817   9.0026  199.867   8.2714 -6.049713 12.22546 
1 1 1    8   12   54 o  194.340   6.0188  104.009   6.3024   98.303   9.0891  109.293   8.7466  189.046   8.8974  199.634   8.1080 -10.58826 12.03759 
1 1 1    8   12   55 o  117.770   8.2813   38.287   5.2303   45.421   7.8852   32.682   6.9890  127.529   11.442  108.010   11.975 19.51890 16.56258 
1 1 1    8   12   56 o  147.119   7.2302   59.787   5.7263   67.100   8.4952   53.698   7.7522  155.349   10.120  138.889   10.329 16.45995 14.46047 
1 1 1    8   12   57 o   89.333   11.046   23.010   5.1012   31.909   7.7418   16.182   6.7815  105.825   13.538   72.841   17.457 32.98407 22.09144 
1 1 1    8   12   58 o   82.558   12.007   20.165   5.2692   26.121   7.9200   15.436   7.0578   94.648   15.486   70.467   18.353 24.18063 24.01316 
1 1 1    8   12   59 o   73.835   13.138   16.935   5.2478   19.998   7.7803   14.378   7.1081   80.041   18.377   67.630   18.781 12.41116 26.27634 
1 1 1    8   12   60 o   97.717   10.710   28.313   5.6353   29.941   8.4043   26.983   7.5958  100.012   15.551   95.422   14.731 4.590523 21.42065 
1 1 1    8   12   61 o  115.870   10.956   42.241   6.1654   26.899   9.0743   55.397   8.4028   92.081   18.871  139.660   11.134 -47.57963 21.91109 
1 1 1    8   12   62 o   44.163   13.278   1.2786   5.6876   6.8973   8.5824  -3.1213   7.5948   51.650   20.539   36.677   16.834 14.97222 26.55642 
1 1 1    8   12   63 o   54.016   14.366   9.3813   5.6643   11.112   8.5696   8.0385   7.5482   56.976   21.048   51.055   19.557 5.921753 28.73145 
1 1 1    8   12   64 o   67.579   14.389   16.175   5.7016   19.334   8.4986   13.589   7.6886   73.295   20.601   61.862   20.095 11.43344 28.77843 
1 1 1    8   13    0 o  361.034   7.9422  352.464   15.495   0.0000   0.0000  352.464   15.495  ?   ?   361.034   7.9422      ?      ? 
1 1 1    8   13    1 o  725.356   9.0986  1424.59   35.662  1416.78   50.219  1432.54   50.651  723.354   12.848  727.359   12.887 -4.005981 18.19723 
1 1 1    8   13    3 f  628.736   8.0869  1069.87   27.475  1064.90   38.753  1074.90   38.959  627.267   11.433  630.205   11.440 -2.937988 16.17383 
1 1 1    8   13    5 o  863.353   12.193  2031.48   49.880  2001.13   97.445  2042.26   58.064  858.156   21.014  868.550   12.372 -10.39386 24.38526 
1 1 1    8   13    6 o  262.651   5.9453  187.432   8.3223  180.991   12.758  192.203   10.980  258.683   9.1271  266.618   7.6212 -7.934967 11.89060 
1 1 1    8   13    7 o  757.360   9.4600  1551.48   38.715   0.0000   0.0000  1551.48   38.715  ?   ?   757.360   9.4600      ?      ? 
1 1 1    8   13    8 o  317.059   8.1467  271.819   13.958   0.0000   0.0000  271.819   13.958  ?   ?   317.059   8.1467      ?      ? 
1 1 1    8   13    9 o  559.968   8.4590  847.876   25.596   0.0000   0.0000  847.876   25.596  ?   ?   559.968   8.4590      ?      ? 
1 1 1    8   13   10 o  770.028   9.6049  1603.62   39.966   0.0000   0.0000  1603.62   39.966  ?   ?   770.028   9.6049      ?      ? 
1 1 1    8   13   11 o  499.012   9.4182  673.414   25.396   0.0000   0.0000  673.414   25.396  ?   ?   499.012   9.4182      ?      ? 
1 1 1    8   13   12 o  573.007   8.6136  888.324   23.045  888.739   46.240  888.187   26.581  572.877   14.937  573.138   8.5827 -0.2610474 17.22723 
1 1 1    8   13   14 o  553.203   10.327  827.683   30.871   0.0000   0.0000  827.683   30.871  ?   ?   553.203   10.327      ?      ? 
1 1 1    8   13   15 o  594.271   7.7247  954.696   24.799  935.481   34.566  975.077   35.599  588.115   10.877  600.427   10.972 -12.31189 15.44941 
1 1 1    8   13   18 o  328.911   11.015  292.568   19.577   0.0000   0.0000  292.568   19.577  ?   ?   328.911   11.015      ?      ? 
1 1 1    8   13   19 o  170.533   7.0659   76.689   6.0981   84.144   10.931   73.320   7.3478  176.379   11.469  164.687   8.2568 11.69136 14.13180 
1 1 1    8   13   20 o  867.714   13.103  2039.29   57.808  2043.47  100.548  2037.22   70.652  867.943   21.438  867.486   15.072 0.4565430 26.20646 
1 1 1    8   13   22 o  202.697   5.6686  110.621   6.1887  116.431   9.2093  105.837   8.3570  207.527   8.2123  197.866   7.8161 9.661270 11.33720 
1 1 1    8   13   23 o  825.438   10.210  1842.96   45.516  1803.93   63.100  1885.30   65.720  816.349   14.304  834.527   14.574 -18.17743 20.42067 
1 1 1    8   13   24 o  590.467   7.7386  940.843   24.656  902.254   33.772  984.885   36.079  577.541   10.821  603.392   11.065 -25.85095 15.47722 
1 1 1    8   13   25 o  735.291   9.2399  1461.67   36.681  1420.85   50.616  1506.81   53.232  724.510   12.929  746.073   13.204 -21.56335 18.47972 
1 1 1    8   13   26 o  589.788   7.7291  941.093   24.631  929.143   34.637  953.320   35.035  586.000   10.938  593.576   10.923 -7.576416 15.45817 
1 1 1    8   13   27 o  489.905   9.5509  649.162   25.284   0.0000   0.0000  649.162   25.284  ?   ?   489.905   9.5509      ?      ? 
1 1 1    8   13   28 o  534.900   7.2241  773.593   20.875  751.747   29.135  796.637   29.923  527.144   10.228  542.656   10.204 -15.51239 14.44811 
1 1 1    8   13   29 o  489.221   6.8310  647.465   18.055  647.581   25.779  647.354   25.295  489.258   9.7507  489.184   9.5693 0.7409668E-01 13.66196 
1 1 1    8   13   30 o  582.854   9.6236  913.391   28.263  901.615   34.157  938.964   50.334  577.199   10.951  588.508   15.828 -11.30902 19.24714 
1 1 1    8   13   31 o  320.999   8.7758  279.047   15.222  280.856   21.571  277.252   21.484  322.036   12.396  319.962   12.426 2.074493 17.55157 
1 1 1    8   13   32 o  575.423   11.037  898.522   34.318  896.171   48.390  900.901   48.678  574.669   15.583  576.176   15.635 -1.506165 22.07428 
1 1 1    8   13   33 o  417.984   9.2567  470.319   20.814  441.216   27.877  506.982   31.290  403.501   12.785  432.466   13.389 -28.96521 18.51336 
1 1 1    8   13   34 o  684.937   12.574  1276.42   46.535  1266.89   65.296  1286.26   66.337  682.359   17.709  687.515   17.856 -5.156128 25.14830 
1 1 1    8   13   35 o  246.553   7.7118  164.496   10.274   0.0000   0.0000  164.496   10.274  ?   ?   246.553   7.7118      ?      ? 
1 1 1    8   13   36 o   80.513   12.226   18.464   5.0893   17.401   7.9713   19.196   6.6125   78.310   19.025   82.716   15.359 -4.405991 24.45152 
1 1 1    8   13   37 o  191.594   8.2570   99.395   8.5486   0.0000   0.0000   99.395   8.5486  ?   ?   191.594   8.2570      ?      ? 
1 1 1    8   13   38 o  472.181   8.0711  616.363   19.875  560.135   31.824  652.319   25.449  453.863   12.976  490.498   9.6016 -36.63531 16.14223 
1 1 1    8   13   39 o  266.265   6.2891  192.837   8.9801  197.761   12.071  186.734   13.439  270.146   8.2689  262.384   9.4782 7.761230 12.57820 
1 1 1    8   13   40 o  244.105   9.3674  161.689   12.356   0.0000   0.0000  161.689   12.356  ?   ?   244.105   9.3674      ?      ? 
1 1 1    8   13   41 f  286.096   5.6408  222.208   8.7050  217.719   12.619  226.283   12.024  283.300   8.2430  288.892   7.7024 -5.591827 11.28159 
1 1 1    8   13   42 o  493.972   6.8787  663.080   18.358  649.810   25.724  676.853   26.208  488.934   9.7363  499.010   9.7194 -10.07544 13.75731 
1 1 1    8   13   43 o  233.889   5.6949  148.119   7.1836  153.898   10.561  143.143   9.7998  238.104   8.2085  229.674   7.8962 8.429901 11.38985 
1 1 1    8   13   44 o  256.658   5.6005  178.411   7.7451  185.254   11.473  172.682   10.498  261.130   8.1310  252.185   7.7037 8.945358 11.20091 
1 1 1    8   13   45 o  297.415   5.6450  240.083   9.0559  245.991   13.273  234.936   12.387  300.793   8.1658  294.037   7.7963 6.755707 11.28990 
1 1 1    8   13   46 o  316.434   5.6759  272.156   9.6943  275.558   14.085  269.094   13.363  318.270   8.1896  314.599   7.8608 3.670654 11.35178 
1 1 1    8   13   47 o  214.542   5.8588  125.310   6.7771  126.220   9.9371  124.519   9.2664  215.215   8.5448  213.869   8.0182 1.346207 11.71767 
1 1 1    8   13   48 o   87.260   13.469   23.357   6.2302   15.545   9.8043   28.649   8.0687   73.027   22.565  101.492   14.712 -28.46487 26.93780 
1 1 1    8   13   49 o  297.554   7.5319  243.655   12.073  236.486   17.619  250.000   16.576  293.201   11.121  301.907   10.161 -8.706024 15.06371 
1 1 1    8   13   50 o  113.701   10.651   36.040   6.4213   37.477   10.181   35.090   8.2744  115.195   16.356  112.207   13.647 2.987946 21.30169 
1 1 1    8   13   51 o   91.930   11.077   25.695   5.0687   18.277   7.8903   30.907   6.6140   78.225   18.882  105.635   11.587 -27.41058 22.15339 
1 1 1    8   13   52 o   99.759   9.5252   27.617   5.0918   30.239   7.8346   25.700   6.6996  103.669   13.986   95.848   12.935 7.821053 19.05047 
1 1 1    8   13   53 o  170.020   8.9474   79.509   8.2202   0.0000   0.0000   79.509   8.2202  ?   ?   170.020   8.9474      ?      ? 
1 1 1    8   13   54 o  111.662   8.7491   34.305   5.2211   39.754   8.1550   30.521   6.7966  118.922   12.690  104.402   12.047 14.52072 17.49819 
1 1 1    8   13   55 o   99.153   9.8829   28.261   5.2301   25.700   7.7810   30.371   7.0637   94.539   15.231  103.767   12.598 -9.227676 19.76585 
1 1 1    8   13   56 o  146.067   7.3170   59.118   5.7503   63.473   8.6342   55.645   7.7087  150.761   10.599  141.374   10.091 9.386902 14.63395 
1 1 1    8   13   57 o   61.632   13.623   11.760   5.1393   8.7467   7.9378   13.934   6.7435   56.040   20.326   67.224   18.143 -11.18382 27.24562 
1 1 1    8   13   58 o  207.126   6.2571  119.346   6.9601  116.675   10.363  121.542   9.3946  204.674   9.3695  209.578   8.2955 -4.904510 12.51414 
1 1 1    8   13   59 o   93.366   12.324   28.629   5.8356   18.341   8.8565   36.522   7.7578   74.277   21.084  112.455   12.766 -38.17809 24.64814 
1 1 1    8   13   60 o  142.469   8.3621   57.085   6.3783   66.120   9.8645   50.595   8.3613  151.855   12.022  133.084   11.627 18.77042 16.72421 
1 1 1    8   13   61 o  217.387   6.7793  132.718   7.9598  130.948   11.379  134.415   11.138  215.821   9.7575  218.954   9.4141 -3.133224 13.55854 
1 1 1    8   13   62 o  118.062   10.287   43.537   6.3880   33.719   9.0922   53.108   8.9770  102.764   16.373  133.360   12.457 -30.59612 20.57348 
1 1 1    8   13   63 o  190.282   7.2100  104.042   7.3932   98.519   10.636  109.206   10.284  184.890   10.646  195.674   9.7260 -10.78439 14.41991 
1 1 1    8   14    0 o  364.252   8.6023  358.647   16.907  366.667   24.699  351.577   23.192  368.066   12.418  360.438   11.907 7.627930 17.20460 
1 1 1    8   14    1 o  879.807   15.457  2102.27   73.472  2122.07  105.073  2083.33  102.775  883.829   22.001  875.786   21.717 8.043396 30.91368 
1 1 1    8   14    2 o  512.053   8.7155  699.088   22.096  735.811   40.854  683.905   26.269  521.250   14.505  502.855   9.6675 18.39447 17.43106 
1 1 1    8   14    5 o  449.605   7.5153  549.227   17.361  538.964   29.406  554.719   21.509  446.281   12.194  452.928   8.7882 -6.647186 15.03069 
1 1 1    8   14    6 o  202.666   6.7832  111.027   7.4286   0.0000   0.0000  111.027   7.4286  ?   ?   202.666   6.7832      ?      ? 
1 1 1    8   14    7 o  260.062   7.0116  182.824   9.8533   0.0000   0.0000  182.824   9.8533  ?   ?   260.062   7.0116      ?      ? 
1 1 1    8   14    8 o  609.149   7.9163  1003.19   26.058   0.0000   0.0000  1003.19   26.058  ?   ?   609.149   7.9163      ?      ? 
1 1 1    8   14    9 o  1236.32   14.880  4138.84   99.409   0.0000   0.0000  4138.84   99.409  ?   ?   1236.32   14.880      ?      ? 
1 1 1    8   14   10 o  148.416   10.587   59.579   8.4906   0.0000   0.0000   59.579   8.4906  ?   ?   148.416   10.587      ?      ? 
1 1 1    8   14   11 o  465.745   9.0449  586.516   22.764   0.0000   0.0000  586.516   22.764  ?   ?   465.745   9.0449      ?      ? 
1 1 1    8   14   12 o  358.971   6.5232  333.043   10.515  376.351   22.977  321.569   11.827  373.012   11.399  344.931   6.3452 28.08099 13.04637 
1 1 1    8   14   13 o  224.165   6.3504  133.255   7.0116  142.162   13.124  129.697   8.2947  229.278   10.593  219.053   7.0075 10.22517 12.70087 
1 1 1    8   14   14 o  304.990   5.4836  251.397   9.0366  247.474   12.688  255.436   12.873  302.575   7.7601  307.404   7.7499 -4.829163 10.96724 
1 1 1    8   14   15 o  584.068   7.6683  922.268   24.195  933.146   34.705  911.980   33.749  587.414   10.934  580.723   10.755 6.691284 15.33654 
1 1 1    8   14   16 o  261.628   5.5557  185.137   7.8425  182.983   11.372  187.089   10.830  260.173   8.0889  263.084   7.6179 -2.910828 11.11138 
1 1 1    8   14   17 o  529.014   14.273  757.432   40.801   0.0000   0.0000  757.432   40.801  ?   ?   529.014   14.273      ?      ? 
1 1 1    8   14   19 o  632.523   9.9448  1097.07   32.642  1029.95   53.435  1137.02   41.230  616.723   16.034  648.322   11.769 -31.59973 19.88968 
1 1 1    8   14   20 o  585.922   7.7044  928.525   24.391  928.782   34.730  928.276   34.262  585.998   10.968  585.847   10.823 0.1516113 15.40880 
1 1 1    8   14   21 o  463.317   6.5993  580.420   16.521  571.569   23.289  589.387   23.440  459.760   9.3741  466.874   9.2913 -7.114685 13.19859 
1 1 1    8   14   22 o  345.983   5.7832  323.639   10.805  323.507   15.571  323.762   15.005  345.911   8.3302  346.055   8.0241 -0.1444702 11.56631 
1 1 1    8   14   23 o  486.655   9.5762  640.524   25.183   0.0000   0.0000  640.524   25.183  ?   ?   486.655   9.5762      ?      ? 
1 1 1    8   14   24 o  256.242   5.7697  177.365   7.9717  180.157   11.705  174.949   10.887  258.115   8.3918  254.369   7.9206 3.746033 11.53941 
1 1 1    8   14   25 o  1012.11   17.446  2777.85   95.414   0.0000   0.0000  2777.85   95.414  ?   ?   1012.11   17.446      ?      ? 
1 1 1    8   14   26 o  1240.81   15.004  4167.68  100.326  3997.02  135.976  4371.58  148.631  1213.18   20.742  1268.44   21.684 -55.26880 30.00749 
1 1 1    8   14   27 o  439.242   8.1552  518.107   18.077  510.942   21.871  533.558   32.117  434.619   9.3124  443.864   13.391 -9.244751 16.31047 
1 1 1    8   14   28 o  587.132   11.202  932.450   35.489  974.549   51.906  895.495   48.631  599.524   16.022  574.739   15.659 24.78510 22.40341 
1 1 1    8   14   29 o  845.328   14.980  1942.74   68.421  1955.18   97.399  1930.63   96.136  847.980   21.256  842.675   21.112 5.304626 29.95913 
1 1 1    8   14   30 o  201.850   9.9276  110.819   10.762  125.473   15.275   96.374   15.166  215.186   13.137  188.513   14.888 26.67387 19.85529 
1 1 1    8   14   31 o  683.992   12.525  1270.88   46.283  1255.63   64.617  1286.94   66.324  679.808   17.590  688.177   17.835 -8.368713 25.05038 
1 1 1    8   14   32 o  631.502   10.108  1088.84   32.615  1059.69   55.742  1104.01   40.217  624.614   16.515  638.389   11.658 -13.77454 20.21548 
1 1 1    8   14   33 o  543.700   7.3745  798.448   21.632  758.353   29.601  844.401   31.690  529.104   10.353  558.295   10.504 -29.19031 14.74903 
1 1 1    8   14   34 o  242.496   7.9023  159.144   10.355   0.0000   0.0000  159.144   10.355  ?   ?   242.496   7.9023      ?      ? 
1 1 1    8   14   35 o  598.984   7.9035  971.570   25.563  938.876   35.338  1007.46   37.023  588.441   11.114  609.528   11.241 -21.08752 15.80703 
1 1 1    8   14   36 o   62.925   13.764   10.969   5.2592   7.2503   8.3599   13.404   6.7657   57.038   20.834   68.813   17.992 -11.77498 27.52726 
1 1 1    8   14   37 o  362.054   8.2414  355.113   16.124   0.0000   0.0000  355.113   16.124  ?   ?   362.054   8.2414      ?      ? 
1 1 1    8   14   38 o  440.443   7.8531  535.932   17.876  494.820   29.377  560.107   22.527  426.421   12.749  454.464   9.1730 -28.04297 15.70611 
1 1 1    8   14   39 o  268.412   7.0411  200.739   9.4870  181.306   16.433  210.454   11.619  258.148   11.780  278.677   7.7156 -20.52896 14.08225 
1 1 1    8   14   40 o  208.207   6.7197  117.023   7.5362  107.630   10.192  128.356   11.194  199.050   9.4753  217.364   9.5307 -18.31476 13.43931 
1 1 1    8   14   41 o  560.084   7.5791  853.782   22.938  854.326   32.537  853.244   32.342  560.251   10.747  559.918   10.690 0.3327026 15.15821 
1 1 1    8   14   42 o  360.706   5.9212  352.697   11.518  361.972   16.920  344.688   15.723  365.074   8.5770  356.338   8.1657 8.736115 11.84241 
1 1 1    8   14   43 o  106.559   9.3530   31.330   5.2932   29.975   8.1806   32.306   6.9423  104.408   14.500  108.711   11.818 -4.303268 18.70594 
1 1 1    8   14   44 o  182.865   6.2805   91.128   6.1712   89.985   9.1965   92.063   8.3234  181.745   9.3642  183.984   8.3721 -2.238480 12.56106 
1 1 1    8   14   45 o  299.739   5.7974  244.501   9.3667  243.054   13.715  245.766   12.823  298.833   8.4934  300.645   7.8931 -1.812653 11.59478 
1 1 1    8   14   46 o  303.771   7.5982  252.961   12.397  250.225   18.523  255.180   16.684  302.047   11.349  305.495   10.107 -3.447449 15.19647 
1 1 1    8   14   47 o  328.892   7.7087  296.925   13.629  297.297   20.335  296.622   18.363  328.813   11.445  328.971   10.330 -0.1576843 15.41730 
1 1 1    8   14   48 o  308.246   7.6703  261.779   12.734  238.964   18.081  284.234   17.937  294.635   11.356  321.856   10.313 -27.22064 15.34059 
1 1 1    8   14   49 o   42.889   12.343  -1.1240   4.9530   7.6381   7.6295  -7.5068   6.5117   55.106   19.937   30.673   14.558 24.43303 24.68632 
1 1 1    8   14   50 o   69.350   11.461   14.538   5.1075   1.0339   7.7198   25.050   6.8114   43.959   18.665   94.741   13.305 -50.78199 22.92176 
1 1 1    8   14   51 o   43.065   18.438   0.6415   7.6467   0.6415   7.6467   0.0000   0.0000   43.065   18.438  ?   ?       ?      ? 
1 1 1    8   14   52 o   79.665   11.960   18.548   4.9827   22.843   7.4967   15.150   6.6689   88.169   16.337   71.160   17.472 17.00871 23.91945 
1 1 1    8   14   53 o   87.234   11.603   23.260   5.1999   16.450   7.7919   28.728   6.9821   73.367   19.369  101.100   12.780 -27.73254 23.20574 
1 1 1    8   14   54 o   55.613   13.715   8.5304   5.0122   9.9991   7.7614   7.4797   6.5647   58.834   20.210   52.393   18.546 6.441730 27.42955 
1 1 1    8   14   55 o  138.308   7.7432   53.841   5.7345   50.733   8.5455   56.387   7.7348  134.282   11.777  142.334   10.057 -8.051773 15.48645 
1 1 1    8   14   56 o  268.155   5.8411  197.040   8.4317  213.069   12.615  184.097   11.336  277.854   8.4020  258.455   8.1167 19.39908 11.68221 
1 1 1    8   14   57 o   69.965   13.754   15.229   5.3790   18.185   8.1500   12.947   7.1600   75.642   19.732   64.289   19.166 11.35300 27.50851 
1 1 1    8   14   58 o  145.059   8.1885   60.516   6.3351   53.777   9.3591   66.216   8.6064  136.808   12.660  153.309   10.389 -16.50150 16.37693 
1 1 1    8   14   59 f   54.212   14.505   8.1635   5.7884   10.027   8.8242   6.7557   7.6689   57.633   21.345   50.790   19.645 6.843540 29.00922 
1 1 1    8   14   60 o  103.056   11.851   32.617   6.3180   29.834   9.5715   34.767   8.4107   97.127   18.917  108.985   14.282 -11.85873 23.70280 
1 1 1    8   14   61 o   75.457   13.221   19.970   6.0173   9.9484   8.7868   28.820   8.2573   55.048   21.097   95.867   15.940 -40.81855 26.44177 
1 1 1    8   14   62 o   93.086   12.712   27.818   6.2455   33.634   9.2384   22.922   8.4759  103.757   16.477   82.415   19.361 21.34254 25.42355 
1 1 1    8   14   63 o  116.260   10.171   42.553   6.2661   36.272   9.1950   47.998   8.5621  106.322   16.005  126.199   12.556 -19.87779 20.34173 
1 1 1    8   15    0 o  209.668   7.8320  118.846   8.8735   0.0000   0.0000  118.846   8.8735  ?   ?   209.668   7.8320      ?      ? 
1 1 1    8   15    1 o  822.972   12.586  1840.23   52.967  1849.95   65.215  1821.40   90.789  826.594   14.601  819.349   20.506 7.244934 25.17272 
1 1 1    8   15    2 o  635.820   11.820  1095.18   40.605  1100.22   57.971  1090.31   56.894  637.246   16.835  634.394   16.597 2.851501 23.64030 
1 1 1    8   15    3 o  365.148   8.7959  360.496   17.338  366.892   25.180  354.730   23.908  368.216   12.655  362.080   12.219 6.135437 17.59174 
1 1 1    8   15    4 o  283.094   8.8240  214.999   13.441  240.991   20.102  193.986   18.075  298.435   12.465  267.752   12.492 30.68234 17.64795 
1 1 1    8   15    6 o  635.557   11.669  1092.70   40.077   0.0000   0.0000  1092.70   40.077  ?   ?   635.557   11.669      ?      ? 
1 1 1    8   15    7 o  856.400   15.033  1985.51   69.570   0.0000   0.0000  1985.51   69.570  ?   ?   856.400   15.033      ?      ? 
1 1 1    8   15    8 o  160.745   9.7354   69.868   8.4563   0.0000   0.0000   69.868   8.4563  ?   ?   160.745   9.7354      ?      ? 
1 1 1    8   15    9 o  272.970   7.3311  201.409   10.814   0.0000   0.0000  201.409   10.814  ?   ?   272.970   7.3311      ?      ? 
1 1 1    8   15   10 o  467.105   9.0888  589.889   22.941   0.0000   0.0000  589.889   22.941  ?   ?   467.105   9.0888      ?      ? 
1 1 1    8   15   11 o  596.922   9.0588  963.318   29.220   0.0000   0.0000  963.318   29.220  ?   ?   596.922   9.0588      ?      ? 
1 1 1    8   15   12 o  811.063   11.682  1779.23   51.198   0.0000   0.0000  1779.23   51.198  ?   ?   811.063   11.682      ?      ? 
1 1 1    8   15   13 o  707.319   10.276  1367.43   34.447  1326.13   67.034  1382.26   40.155  699.692   17.730  714.947   10.394 -15.25488 20.55160 
1 1 1    8   15   14 o  188.935   8.5342   96.505   8.7129   0.0000   0.0000   96.505   8.7129  ?   ?   188.935   8.5342      ?      ? 
1 1 1    8   15   15 o  556.093   7.4422  836.276   22.361  839.157   31.884  833.487   31.368  557.032   10.593  555.154   10.457 1.878052 14.88445 
1 1 1    8   15   16 o  377.981   7.3484  377.887   14.075  362.909   16.996  410.586   25.112  366.378   8.5849  389.585   11.929 -23.20688 14.69687 
1 1 1    8   15   17 o  919.388   11.319  2285.90   56.175  2225.57   77.350  2353.24   81.715  906.596   15.789  932.180   16.222 -25.58411 22.63769 
1 1 1    8   15   18 o  750.955   11.587  1517.78   43.937  1554.05   77.857  1500.83   53.221  757.183   19.029  744.726   13.225 12.45697 23.17308 
1 1 1    8   15   19 o  127.937   8.6467   45.710   5.7767   33.751   8.4413   56.243   7.9223  111.665   13.990  144.209   10.166 -32.54415 17.29350 
1 1 1    8   15   20 o  490.616   8.6137  629.470   20.850  600.037   24.591  704.730   39.323  471.037   9.6613  510.194   14.263 -39.15735 17.22746 
1 1 1    8   15   21 o  680.369   10.813  1236.60   36.789  1209.17   44.080  1299.55   66.786  668.430   12.204  692.308   17.852 -23.87799 21.62512 
1 1 1    8   15   22 f  653.952   12.046  1157.29   42.504  1122.07   58.207  1197.52   62.211  643.352   16.743  664.552   17.324 -21.19934 24.09268 
1 1 1    8   15   23 o  511.985   10.184  709.977   28.173  718.018   39.955  702.027   39.731  514.872   14.361  509.099   14.442 5.772827 20.36730 
1 1 1    8   15   24 o  363.152   8.8059  357.103   17.262  359.910   23.921  354.054   24.935  364.658   12.140  361.647   12.759 3.011963 17.61183 
1 1 1    8   15   25 o  620.278   11.617  1042.41   38.913  1023.65   53.890  1062.84   56.247  614.478   16.230  626.077   16.626 -11.59918 23.23423 
1 1 1    8   15   26 o  520.135   10.374  732.732   29.150  750.225   41.829  716.216   40.645  526.163   14.712  514.107   14.631 12.05585 20.74823 
1 1 1    8   15   27 o  275.440   8.8915  205.410   13.220  205.045   18.278  205.811   19.145  275.197   12.291  275.683   12.851 -0.4866943 17.78300 
1 1 1    8   15   28 o  782.601   14.022  1665.07   59.297  1661.71   83.566  1668.47   84.153  781.819   19.780  783.383   19.880 -1.563660 28.04405 
1 1 1    8   15   29 o  417.883   7.8517  480.364   16.804  448.649   28.268  497.695   20.897  406.889   12.857  428.878   9.0168 -21.98907 15.70347 
1 1 1    8   15   30 o  511.435   9.9430  707.989   27.479   0.0000   0.0000  707.989   27.479  ?   ?   511.435   9.9430      ?      ? 
1 1 1    8   15   31 o  712.896   12.781  1378.04   49.234   0.0000   0.0000  1378.04   49.234  ?   ?   712.896   12.781      ?      ? 
1 1 1    8   15   32 o  377.715   6.1537  385.713   12.546  361.070   17.428  412.220   18.075  365.198   8.8316  390.232   8.5718 -25.03363 12.30739 
1 1 1    8   15   33 o  354.021   6.0013  339.533   11.465  334.132   16.572  344.492   15.879  351.298   8.7301  356.743   8.2371 -5.445190 12.00269 
1 1 1    8   15   34 o  602.705   11.160  985.141   36.345   0.0000   0.0000  985.141   36.345  ?   ?   602.705   11.160      ?      ? 
1 1 1    8   15   35 o  336.953   5.9612  307.632   10.838  305.728   15.736  309.350   14.948  335.936   8.6689  337.970   8.1849 -2.033234 11.92235 
1 1 1    8   15   36 o  442.919   9.0795  531.837   21.731   0.0000   0.0000  531.837   21.731  ?   ?   442.919   9.0795      ?      ? 
1 1 1    8   15   37 o  224.811   7.9981  136.950   9.7160   0.0000   0.0000  136.950   9.7160  ?   ?   224.811   7.9981      ?      ? 
1 1 1    8   15   38 o  206.967   6.3215  117.368   6.9766  107.872   10.501  124.873   9.3348  199.316   9.7496  214.618   8.0492 -15.30200 12.64294 
1 1 1    8   15   39 o  254.342   7.2260  182.846   9.2233  155.991   15.704  196.989   11.396  239.182   12.150  269.503   7.8253 -30.32076 14.45203 
1 1 1    8   15   40 o  481.265   6.8741  629.401   17.867  635.363   25.739  623.857   24.822  483.424   9.8533  479.106   9.5879 4.318359 13.74824 
1 1 1    8   15   41 o  147.027   8.1380   59.014   6.4600   56.591   9.1750   61.396   9.0972  143.997   11.791  150.058   11.219 -6.060654 16.27594 
1 1 1    8   15   42 o  219.087   6.0448  130.867   7.1229  126.242   10.484  134.831   9.7071  215.406   9.0072  222.767   8.0640 -7.361191 12.08957 
1 1 1    8   15   43 o  193.339   7.9122  100.306   7.3679  106.419   14.271   98.085   8.6031  196.780   13.421  189.898   8.3839 6.882156 15.82439 
1 1 1    8   15   44 o  290.356   7.7407  232.846   12.013  210.068   17.768  252.027   16.305  276.833   11.878  303.879   9.9295 -27.04584 15.48145 
1 1 1    8   15   45 f  206.336   8.0178  116.881   8.6242  116.441   14.178  117.140   10.866  205.612   12.760  207.059   9.7114 -1.447006 16.03552 
1 1 1    8   15   46 o  216.041   6.7858  126.806   7.8863  118.863   10.560  136.824   11.859  208.505   9.3724  223.577   9.8157 -15.07193 13.57161 
1 1 1    8   15   47 f  143.560   7.4909   55.659   5.7268   62.023   9.0645   51.432   7.3881  150.146   11.172  136.974   9.9817 13.17148 14.98184 
1 1 1    8   15   48 o  106.795   9.6289   30.865   5.4768   38.392   8.6231   25.776   7.0906  117.402   13.592   96.187   13.642 21.21590 19.25778 
1 1 1    8   15   49 o   67.401   13.713   13.511   5.2125   12.980   8.2342   13.866   6.7334   66.436   20.705   68.366   17.985 -1.930634 27.42508 
1 1 1    8   15   50 o  148.281   7.4720   61.351   5.9078   56.524   8.8884   65.170   7.9071  142.688   11.528  153.873   9.5097 -11.18475 14.94405 
1 1 1    8   15   51 o   99.752   10.708   29.421   5.4072   24.575   8.3834   32.872   7.0756   90.951   17.695  108.553   12.062 -17.60137 21.41508 
1 1 1    8   15   52 o  170.596   6.7591   80.518   6.1801   79.323   9.3109   81.459   8.2626  169.211   10.183  171.981   8.8909 -2.769775 13.51818 
1 1 1    8   15   53 o   90.419   11.075   23.548   5.2643   27.717   7.9343   20.269   7.0360   98.363   14.928   82.476   16.365 15.88723 22.15065 
1 1 1    8   15   54 o  124.727   10.954   43.529   7.3826   0.0000   0.0000   43.529   7.3826  ?   ?   124.727   10.954      ?      ? 
1 1 1    8   15   55 o  159.077   9.8858   70.381   8.4978   0.0000   0.0000   70.381   8.4978  ?   ?   159.077   9.8858      ?      ? 
1 1 1    8   15   56 o   59.679   14.125   10.890   5.4110   9.0082   8.0739   12.424   7.2905   56.269   20.486   63.089   19.453 -6.819962 28.25042 
1 1 1    8   15   57 f   45.017   13.437   2.5779   5.5686   2.0405   8.5353   2.9762   7.3478   45.535   19.487   44.499   18.505 1.035713 26.87375 
1 1 1    8   15   58 o  166.814   7.5199   78.049   6.7281   86.659   10.311   71.663   8.8790  174.503   10.934  159.124   10.326 15.37932 15.03974 
1 1 1    8   15   60 o  145.157   8.6760   61.465   6.7846   68.328   9.9734   55.554   9.2564  152.838   12.076  137.475   12.460 15.36337 17.35196 
1 1 1    8   15   61 o  138.259   8.9944   55.935   6.6807   64.366   10.057   49.276   8.9376  147.581   12.611  128.937   12.828 18.64458 17.98870 
1 1 1    8   15   62 o   74.782   14.760   20.266   6.1841   23.567   9.2839   17.633   8.2912   80.145   21.135   69.418   20.609 10.72682 29.51945 
1 1 1    8   16    0 o  479.568   6.7337  621.547   17.441  630.194   25.145  613.530   24.211  482.776   9.6388  476.359   9.4056 6.417297 13.46743 
1 1 1    8   16    1 o  525.932   7.1974  747.698   20.448  757.746   29.360  738.233   28.496  529.359   10.264  522.506   10.093 6.852966 14.39488 
1 1 1    8   16    2 o  888.160   15.533  2135.36   74.547   0.0000   0.0000  2135.36   74.547  ?   ?   888.160   15.533      ?      ? 
1 1 1    8   16    4 o  217.544   6.0672  122.843   6.7173  142.950   12.043  113.761   8.0933  229.935   9.6924  205.153   7.3006 24.78185 12.13435 
1 1 1    8   16    5 o  314.298   6.3493  263.253   10.139  278.153   17.888  256.200   12.307  320.726   10.321  307.871   7.3978 12.85492 12.69868 
1 1 1    8   16    6 o  1249.64   15.074  4226.63  101.789   0.0000   0.0000  4226.63  101.789  ?   ?   1249.64   15.074      ?      ? 
1 1 1    8   16    7 f  854.916   10.617  1976.46   49.048   0.0000   0.0000  1976.46   49.048  ?   ?   854.916   10.617      ?      ? 
1 1 1    8   16    8 o  621.326   11.704  1044.18   39.296   0.0000   0.0000  1044.18   39.296  ?   ?   621.326   11.704      ?      ? 
1 1 1    8   16   10 o  465.539   9.6135  586.021   24.184   0.0000   0.0000  586.021   24.184  ?   ?   465.539   9.6135      ?      ? 
1 1 1    8   16   13 o  942.197   16.371  2409.19   83.333  2439.19  119.326  2380.63  116.430  947.893   23.296  936.501   23.007 11.39252 32.74232 
1 1 1    8   16   14 o  362.505   8.2334  355.214   16.120  363.513   23.244  347.522   22.376  366.578   11.734  358.431   11.553 8.146851 16.46684 
1 1 1    8   16   15 f  362.792   8.3044  355.165   16.252  341.892   22.198  370.496   23.857  355.513   11.555  370.071   11.930 -14.55829 16.60887 
1 1 1    8   16   16 o  491.631   9.6469  653.408   25.605  637.162   35.324  671.396   37.170  485.210   13.473  498.053   13.811 -12.84308 19.29385 
1 1 1    8   16   17 o  343.203   8.3112  318.531   15.405  322.973   22.212  314.414   21.384  345.501   11.897  340.904   11.608 4.597015 16.62244 
1 1 1    8   16   18 o  175.798   10.066   82.534   9.4925   71.149   12.646   97.230   14.367  162.095   14.437  189.501   14.031 -27.40652 20.13196 
1 1 1    8   16   19 o  152.906   11.125   63.273   9.1668   62.342   12.466   64.369   13.527  151.697   15.207  154.114   16.243 -2.417236 22.25068 
1 1 1    8   16   20 o  1056.29   18.318  3037.96  104.524  3087.84  150.097  2990.99  145.641  1064.64   26.090  1047.94   25.719 16.70703 36.63601 
1 1 1    8   16   21 o  399.096   9.0863  431.088   19.584  428.378   27.190  434.009   28.230  397.806   12.649  400.387   13.048 -2.581390 18.17257 
1 1 1    8   16   22 o  1052.31   15.754  3018.67   84.792  2981.98  145.159  3037.67  104.467  1046.42   25.671  1058.20   18.269 -11.78467 31.50859 
1 1 1    8   16   23 o  229.898   12.823  143.108   15.930  143.108   15.930   0.0000   0.0000  229.898   12.823  ?   ?       ?      ? 
1 1 1    8   16   24 o  1068.07   13.055  3096.43   75.341  3072.55  105.971  3120.83  107.135  1063.91   18.433  1072.22   18.491 -8.311279 26.10917 
1 1 1    8   16   25 o  309.233   6.2198  250.664   10.227  308.661   16.303  213.038   13.132  337.810   8.9313  280.656   8.6587 57.15417 12.43952 
1 1 1    8   16   26 o  114.146   10.981   35.119   6.7122   42.291   9.8929   29.002   9.1370  124.902   14.658  103.391   16.354 21.51142 21.96166 
1 1 1    8   16   27 o  263.443   6.3157  187.536   8.9774  192.059   13.118  183.551   12.312  266.419   9.1121  260.466   8.7477 5.952698 12.63139 
1 1 1    8   16   28 o  768.494   13.678  1601.07   56.802   0.0000   0.0000  1601.07   56.802  ?   ?   768.494   13.678      ?      ? 
1 1 1    8   16   29 o  144.710   8.4970   56.417   6.6031   59.587   10.012   53.976   8.7847  148.270   12.496  141.150   11.517 7.119644 16.99395 
1 1 1    8   16   30 o  116.313   10.014   36.881   6.2522   35.324   9.2812   38.175   8.4597  114.019   15.064  118.608   13.199 -4.589348 20.02864 
1 1 1    8   16   31 o  729.226   9.2975  1441.59   36.608  1398.56   50.565  1488.99   53.069  717.833   13.036  740.619   13.261 -22.78571 18.59495 
1 1 1    8   16   32 o  241.057   6.2756  157.983   8.1418  145.737   11.717  169.416   11.322  231.958   9.3480  250.155   8.3755 -18.19710 12.55125 
1 1 1    8   16   33 o  253.202   6.0971  173.770   8.2830  172.531   12.455  174.752   11.091  252.355   9.1340  254.049   8.0790 -1.694763 12.19429 
1 1 1    8   16   34 o  177.530   7.0728   84.877   6.7053   89.309   10.415   81.740   8.7629  181.416   10.624  173.644   9.3390 7.772171 14.14553 
1 1 1    8   16   35 o  537.108   7.3658  783.058   21.377  770.682   30.135  795.592   30.328  532.825   10.467  541.391   10.367 -8.566467 14.73162 
1 1 1    8   16   36 o  660.366   12.081  1186.50   43.111   0.0000   0.0000  1186.50   43.111  ?   ?   660.366   12.081      ?      ? 
1 1 1    8   16   37 o  162.757   11.184   72.076   9.8361   72.076   9.8361   0.0000   0.0000  162.757   11.184  ?   ?       ?      ? 
1 1 1    8   16   38 o  578.482   10.893  911.016   34.051   0.0000   0.0000  911.016   34.051  ?   ?   578.482   10.893      ?      ? 
1 1 1    8   16   39 o  101.611   10.975   29.176   5.6551   26.963   9.1046   30.565   7.2158   97.414   17.958  105.808   12.621 -8.393562 21.94910 
1 1 1    8   16   40 o   80.052   12.243   23.539   6.2201  -6.4730   11.857   34.935   7.3062   47.011   21.369  113.094   11.955 -66.08369 24.48615 
1 1 1    8   16   41 o  104.242   14.286   34.161   7.1601   23.153   12.671   39.324   8.6786   88.799   25.224  119.684   13.419 -30.88487 28.57142 
1 1 1    8   16   42 o  215.170   8.2618  129.288   9.2126  117.005   14.940  136.824   11.702  206.314   13.401  224.025   9.6668 -17.71094 16.52368 
1 1 1    8   16   43 o  287.214   7.9892  228.842   12.224  201.284   18.132  251.802   16.550  270.767   12.393  303.661   10.086 -32.89420 15.97835 
1 1 1    8   16   44 o  292.783   5.9336  233.923   9.3704  218.223   13.273  249.524   13.231  282.886   8.6830  302.679   8.0892 -19.79285 11.86720 
1 1 1    8   16   45 o  221.791   6.1126  134.503   7.2555  132.533   11.006  136.016   9.6491  220.189   9.2500  223.393   7.9934 -3.203445 12.22521 
1 1 1    8   16   46 o  161.318   7.2609   73.203   6.1307   62.641   9.5123   80.709   8.0181  150.749   11.677  171.888   8.6326 -21.13922 14.52178 
1 1 1    8   16   47 o  223.112   6.1362  136.283   7.3206  135.764   11.174  136.673   9.6895  222.532   9.2927  223.691   8.0161 -1.159088 12.27240 
1 1 1    8   16   48 o   46.926   13.376   3.5241   5.1095   3.2905   8.3037   3.6664   6.4818   48.599   19.886   45.253   17.895 3.346386 26.75253 
1 1 1    8   16   49 o  184.199   6.6529   93.437   6.5234   92.959   10.115   93.776   8.5356  183.502   10.201  184.896   8.5431 -1.393829 13.30585 
1 1 1    8   16   50 f  105.577   9.8009   29.911   5.4564   39.989   8.9102   23.865   6.9019  119.133   13.841   92.021   13.880 27.11131 19.60172 
1 1 1    8   16   51 o  204.637   6.3138  114.750   6.9093  119.480   10.648  111.309   9.0808  208.014   9.4727  201.259   8.3499 6.755096 12.62751 
1 1 1    8   16   52 o  121.846   9.1828   44.067   5.6931   33.209   8.9326   51.495   7.3880  107.481   15.380  136.211   10.038 -28.72982 18.36566 
1 1 1    8   16   53 o  183.393   6.7111   93.190   6.6069   94.257   9.9492   92.349   8.8367  184.066   10.003  182.720   8.9499 1.346375 13.42227 
1 1 1    8   16   54 o  141.529   7.9718   55.436   6.0540   63.012   9.2456   49.749   8.0101  149.813   11.421  133.245   11.125 16.56851 15.94370 
1 1 1    8   16   55 o   57.616   14.165   9.8346   5.3511   9.6628   8.3773   9.9531   6.9549   57.769   20.892   57.464   19.134 0.3048363 28.33005 
1 1 1    8   16   56 o   84.967   12.721   21.770   5.7972   30.283   8.7570   15.127   7.7349  101.143   16.023   68.791   19.763 32.35139 25.44193 
1 1 1    8   16   57 o  122.774   9.5303   43.029   6.2397   53.903   9.6253   35.147   8.1949  136.112   13.087  109.436   13.858 26.67567 19.06050 
1 1 1    8   16   59 o  101.756   12.616   32.984   6.6084   44.198   9.6312   23.008   9.0841  121.232   14.702   82.280   20.505 38.95208 25.23118 
1 1 1    8   16   60 o  132.431   9.3830   52.965   6.6261   45.505   9.5768   59.816   9.1774  122.135   14.511  142.727   11.899 -20.59212 18.76595 
1 1 1    8   16   61 o  124.674   9.7831   47.558   6.5567   43.793   9.4316   51.080   9.1213  119.000   14.667  130.348   12.950 -11.34803 19.56610 
1 1 1    8   17    0 o  406.597   6.2486  446.734   13.725  434.915   19.164  459.180   19.666  401.078   8.8426  412.115   8.8310 -11.03696 12.49713 
1 1 1    8   17    1 o  651.271   8.5072  1147.40   29.939  1142.63   42.307  1152.19   42.372  649.913   12.047  652.630   12.015 -2.716736 17.01432 
1 1 1    8   17    3 o  156.823   9.9880   66.504   8.4640   0.0000   0.0000   66.504   8.4640  ?   ?   156.823   9.9880      ?      ? 
1 1 1    8   17    4 o  245.911   6.0559  161.442   7.2889  168.311   13.717  158.739   8.6043  249.478   10.175  242.343   6.5705 7.134689 12.11184 
1 1 1    8   17    5 o  564.343   7.6015  860.920   23.181   0.0000   0.0000  860.920   23.181  ?   ?   564.343   7.6015      ?      ? 
1 1 1    8   17    6 o  697.435   8.9374  1315.13   33.682   0.0000   0.0000  1315.13   33.682  ?   ?   697.435   8.9374      ?      ? 
1 1 1    8   17    7 o  649.755   9.7410  1141.61   34.201   0.0000   0.0000  1141.61   34.201  ?   ?   649.755   9.7410      ?      ? 
1 1 1    8   17    8 o  242.263   5.8818  158.623   7.6999   0.0000   0.0000  158.623   7.6999  ?   ?   242.263   5.8818      ?      ? 
1 1 1    8   17    9 o  1235.61   14.923  4133.10   99.641   0.0000   0.0000  4133.10   99.641  ?   ?   1235.61   14.923      ?      ? 
1 1 1    8   17   10 o  722.871   9.2332  1412.89   36.066   0.0000   0.0000  1412.89   36.066  ?   ?   722.871   9.2332      ?      ? 
1 1 1    8   17   11 o  874.130   10.863  2066.67   51.314   0.0000   0.0000  2066.67   51.314  ?   ?   874.130   10.863      ?      ? 
1 1 1    8   17   12 o  615.307   11.298  1024.12   37.564   0.0000   0.0000  1024.12   37.564  ?   ?   615.307   11.298      ?      ? 
1 1 1    8   17   13 o  150.885   8.2849   60.993   6.2703   63.198   11.285   60.007   7.5417  152.803   13.667  148.967   9.3689 3.836334 16.56989 
1 1 1    8   17   14 o  819.393   14.486  1821.55   64.135  1838.74   91.499  1804.95   89.923  823.177   20.570  815.608   20.403 7.568909 28.97272 
1 1 1    8   17   15 o  348.228   8.4076  327.245   15.787  315.315   21.494  341.216   23.262  341.367   11.652  355.089   12.123 -13.72205 16.81520 
1 1 1    8   17   16 o  484.149   8.5537  606.408   20.265  700.450   39.013  571.655   23.716  508.565   14.196  459.733   9.5465 48.83191 17.10744 
1 1 1    8   17   17 o  418.447   7.9072  478.017   17.009  459.910   28.626  487.899   21.147  412.165   12.853  424.729   9.2141 -12.56372 15.81434 
1 1 1    8   17   19 o  441.137   6.7734  526.045   16.140  507.297   22.542  545.766   23.120  433.074   9.6327  449.200   9.5250 -16.12558 13.54674 
1 1 1    8   17   21 o  826.725   10.436  1851.30   46.606  1821.78   64.942  1882.65   66.924  819.948   14.657  833.502   14.859 -13.55377 20.87155 
1 1 1    8   17   22 o  769.324   9.7879  1593.31   40.515  1501.40   54.316  1708.58   60.829  744.520   13.501  794.128   14.175 -49.60797 19.57590 
1 1 1    8   17   24 o  509.333   7.2477  699.940   19.914  664.989   27.216  740.212   29.215  495.698   10.161  522.968   10.338 -27.27026 14.49531 
1 1 1    8   17   25 o  217.745   6.9395  128.782   8.1332  117.242   11.610  139.904   11.398  208.111   10.324  227.378   9.2763 -19.26729 13.87899 
1 1 1    8   17   26 o  495.797   7.1454  665.432   19.141  661.534   27.234  669.237   26.908  494.353   10.195  497.240   10.015 -2.886261 14.29073 
1 1 1    8   17   27 o  340.156   6.2940  313.221   11.565  304.425   16.391  321.941   16.319  335.390   9.0443  344.922   8.7556 -9.531830 12.58808 
1 1 1    8   17   28 o  121.153   9.9860   39.734   6.5228   41.566   9.6230   38.176   8.8720  123.718   14.394  118.588   13.845 5.129913 19.97193 
1 1 1    8   17   29 o  379.977   6.3377  391.122   13.005  377.207   18.439  404.896   18.346  373.232   9.1428  386.721   8.7792 -13.48959 12.67540 
1 1 1    8   17   30 o  528.253   10.278  756.205   29.340   0.0000   0.0000  756.205   29.340  ?   ?   528.253   10.278      ?      ? 
1 1 1    8   17   31 o  213.827   6.6561  124.014   7.6170  122.871   11.575  124.887   10.116  212.915   10.060  214.740   8.7180 -1.824295 13.31221 
1 1 1    8   17   32 o  356.245   6.1951  344.127   11.916  330.517   16.937  357.466   16.768  349.241   8.9747  363.250   8.5423 -14.00922 12.39020 
1 1 1    8   17   33 o  295.333   8.2415  236.324   13.152   0.0000   0.0000  236.324   13.152  ?   ?   295.333   8.2415      ?      ? 
1 1 1    8   17   34 o  472.690   9.5501  606.214   24.393   0.0000   0.0000  606.214   24.393  ?   ?   472.690   9.5501      ?      ? 
1 1 1    8   17   35 o  439.208   9.1377  523.462   21.687   0.0000   0.0000  523.462   21.687  ?   ?   439.208   9.1377      ?      ? 
1 1 1    8   17   36 o  339.644   6.0777  313.597   11.133  303.119   16.087  323.227   15.422  334.133   8.9098  345.155   8.2687 -11.02142 12.15549 
1 1 1    8   17   37 o  368.725   6.2581  369.459   12.453  347.504   17.593  391.505   17.630  357.686   9.1023  379.765   8.5910 -22.07980 12.51627 
1 1 1    8   17   38 o  179.801   8.9794   83.734   7.7711   98.581   15.419   78.679   8.9974  189.523   15.056  170.080   9.7899 19.44276 17.95873 
1 1 1    8   17   39 o   94.178   15.021   29.536   7.4477   12.680   13.469   36.959   8.9387   72.357   26.442  115.998   14.260 -43.64089 30.04198 
1 1 1    8   17   40 o  268.419   8.0092  197.282   11.393  195.405   17.905  198.559   14.769  267.029   12.409  269.810   10.130 -2.780609 16.01847 
1 1 1    8   17   41 o  156.180   10.344   69.939   8.0211   60.113   13.924   74.820   9.8131  146.936   17.536  165.424   10.978 -18.48827 20.68897 
1 1 1    8   17   42 o  199.218   7.0640  107.306   7.5659   95.861   10.135  121.712   11.371  187.337   10.012  211.100   9.9682 -23.76358 14.12808 
1 1 1    8   17   43 o  101.660   10.153   28.567   5.5404   29.478   8.3819   27.860   7.3834  102.962   15.065  100.358   13.615 2.603790 20.30598 
1 1 1    8   17   44 o  214.178   6.1767  125.372   7.0910  124.348   10.704  126.173   9.4663  213.250   9.2888  215.106   8.1441 -1.856140 12.35340 
1 1 1    8   17   45 o  174.322   6.9801   83.444   6.5006   82.448   9.9341   84.189   8.5968  173.213   10.614  175.431   9.0686 -2.217621 13.96021 
1 1 1    8   17   46 o  222.375   6.2938  135.743   7.4898  133.362   11.353  137.577   9.9662  220.422   9.5318  224.329   8.2216 -3.906921 12.58768 
1 1 1    8   17   47 o   84.155   12.306   20.588   5.3034   22.218   8.5351   19.562   6.7687   86.373   18.819   81.937   15.861 4.435806 24.61145 
1 1 1    8   17   48 o   99.711   11.028   29.096   5.5549   26.591   8.9502   30.666   7.0845   94.620   18.165  104.802   12.510 -10.18141 22.05620 
1 1 1    8   17   49 o  230.191   6.2258  145.824   7.6758  144.367   11.617  146.954   10.226  228.897   9.3918  231.485   8.1753 -2.587952 12.45155 
1 1 1    8   17   50 o   97.522   11.096   28.021   5.5331   25.479   8.6570   29.776   7.1944   92.182   18.025  102.863   12.943 -10.68121 22.19104 
1 1 1    8   17   51 o   93.271   11.336   24.860   5.5343   29.124   8.7479   22.015   7.1461  100.323   16.137   86.218   15.925 14.10488 22.67155 
1 1 1    8   17   52 o   98.046   11.107   27.291   5.6404   36.297   8.8261   21.074   7.3332  112.429   14.528   83.664   16.804 28.76492 22.21347 
1 1 1    8   17   53 o   63.947   14.063   12.669   5.5083   9.2488   8.3012   15.360   7.3627   57.478   20.796   70.416   18.938 -12.93851 28.12665 
1 1 1    8   17   54 o   56.501   14.102   7.6947   5.6071   15.326   8.8364   2.5509   7.2549   69.111   21.434   43.891   18.332 25.21970 28.20362 
1 1 1    8   17   55 o   47.046   13.625   3.9526   5.5677   1.7945   8.3654   5.6688   7.4601   44.921   19.260   49.172   19.276 -4.250301 27.24927 
1 1 1    8   17   56 o   63.869   14.423   13.612   5.8736   8.7332   9.1695   17.007   7.6489   55.534   21.481   72.204   19.252 -16.66928 28.84561 
1 1 1    8   17   57 o   80.856   21.573   21.763   9.6003   21.763   9.6003   0.0000   0.0000   80.856   21.573  ?   ?       ?      ? 
1 1 1    8   17   58 o   47.972   14.040   3.6166   6.1216   9.3163   9.1318  -1.0352   8.2497   55.706   21.467   40.237   18.101 15.46926 28.08049 
1 1 1    8   17   59 o   43.988   13.528   2.3799   5.9917   4.2752   8.8815   0.7969   8.1170   46.757   19.941   41.219   18.288 5.537632 27.05676 
1 1 1    8   17   60 o   94.797   12.872   30.430   6.3552   23.955   9.3116   36.076   8.6952   81.641   20.990  107.953   14.906 -26.31248 25.74442 
1 1 1    8   18    0 o  482.289   7.0994  629.106   18.499  621.606   26.285  636.466   26.040  479.436   10.146  485.142   9.9332 -5.705963 14.19885 
1 1 1    8   18    1 o  190.666   9.7820   98.304   10.078   0.0000   0.0000   98.304   10.078  ?   ?   190.666   9.7820      ?      ? 
1 1 1    8   18    3 o  496.342   7.8935  666.096   18.637  666.892   36.358  665.813   21.706  496.412   13.554  496.272   8.0941 0.1398621 15.78701 
1 1 1    8   18    4 o  385.682   7.2302  396.480   14.113  418.694   25.086  386.194   17.070  393.412   11.800  377.952   8.3582 15.45950 14.46040 
1 1 1    8   18    5 f  363.010   8.3401  356.263   16.360   0.0000   0.0000  356.263   16.360  ?   ?   363.010   8.3401      ?      ? 
1 1 1    8   18    6 o  231.715   6.3884  145.121   7.9989   0.0000   0.0000  145.121   7.9989  ?   ?   231.715   6.3884      ?      ? 
1 1 1    8   18    7 o  242.992   8.0985  159.629   10.634   0.0000   0.0000  159.629   10.634  ?   ?   242.992   8.0985      ?      ? 
1 1 1    8   18    8 o  743.858   9.5124  1496.31   38.235   0.0000   0.0000  1496.31   38.235  ?   ?   743.858   9.5124      ?      ? 
1 1 1    8   18    9 o  653.883   11.946  1156.88   42.210   0.0000   0.0000  1156.88   42.210  ?   ?   653.883   11.946      ?      ? 
1 1 1    8   18   10 o  384.451   9.6979  399.736   20.147   0.0000   0.0000  399.736   20.147  ?   ?   384.451   9.6979      ?      ? 
1 1 1    8   18   11 o  635.003   8.4083  1090.32   28.852   0.0000   0.0000  1090.32   28.852  ?   ?   635.003   8.4083      ?      ? 
1 1 1    8   18   12 o  704.261   9.1339  1341.38   34.760   0.0000   0.0000  1341.38   34.760  ?   ?   704.261   9.1339      ?      ? 
1 1 1    8   18   13 o  815.010   14.633  1799.33   64.443   0.0000   0.0000  1799.33   64.443  ?   ?   815.010   14.633      ?      ? 
1 1 1    8   18   14 o  624.796   11.647  1057.92   39.313  1046.62   54.887  1069.82   56.335  621.387   16.346  628.204   16.595 -6.817383 23.29383 
1 1 1    8   18   15 o  494.631   8.1235  656.856   18.673  672.297   37.942  651.921   21.451  498.241   14.093  491.021   8.0847 7.220612 16.24704 
1 1 1    8   18   16 f  589.735   9.6459  955.134   29.740  885.811   47.645  999.386   38.066  571.772   15.421  607.698   11.592 -35.92603 19.29185 
1 1 1    8   18   17 o  470.974   7.1147  598.671   18.085  569.187   24.864  631.794   26.354  458.692   10.031  483.257   10.092 -24.56464 14.22947 
1 1 1    8   18   18 o  1343.89   16.275  4908.56  118.076  4784.64  162.729  5046.35  171.593  1326.13   22.709  1361.66   23.321 -35.52734 32.55063 
1 1 1    8   18   19 o  542.110   7.6711  794.741   22.464  770.843   31.290  820.158   32.270  533.706   10.850  550.514   10.848 -16.80762 15.34222 
1 1 1    8   18   20 o  235.791   9.9614  150.420   12.692   0.0000   0.0000  150.420   12.692  ?   ?   235.791   9.9614      ?      ? 
1 1 1    8   18   21 o  683.273   8.9305  1263.44   32.958  1232.45   45.788  1296.76   47.478  674.594   12.561  691.953   12.698 -17.35822 17.86091 
1 1 1    8   18   22 o  225.668   7.2751  138.239   8.8446  130.934   12.790  144.934   12.244  219.919   10.763  231.418   9.7913 -11.49898 14.55013 
1 1 1    8   18   23 o  814.003   14.509  1797.08   63.819   0.0000   0.0000  1797.08   63.819  ?   ?   814.003   14.509      ?      ? 
1 1 1    8   18   25 o  618.576   11.611  1036.80   38.810   0.0000   0.0000  1036.80   38.810  ?   ?   618.576   11.611      ?      ? 
1 1 1    8   18   26 o  447.714   6.8465  542.770   16.562  531.235   23.278  554.594   23.568  442.892   9.7266  452.534   9.6381 -9.641998 13.69305 
1 1 1    8   18   28 o  459.142   9.6114  571.070   23.846   0.0000   0.0000  571.070   23.846  ?   ?   459.142   9.6114      ?      ? 
1 1 1    8   18   29 o  304.238   6.2534  251.045   10.257  231.358   14.493  270.804   14.519  292.242   9.1774  316.235   8.4967 -23.99237 12.50675 
1 1 1    8   18   30 f  179.956   7.5556   87.877   7.3271   87.595   10.758   88.122   10.007  179.658   11.081  180.253   10.274 -0.5950928 15.11116 
1 1 1    8   18   31 o  348.836   8.4661  329.744   15.959   0.0000   0.0000  329.744   15.959  ?   ?   348.836   8.4661      ?      ? 
1 1 1    8   18   32 o  151.586   8.2391   63.532   6.6291   54.509   9.8711   70.944   8.9467  141.509   12.909  161.663   10.242 -20.15327 16.47827 
1 1 1    8   18   33 o  360.975   8.5358  353.340   16.650   0.0000   0.0000  353.340   16.650  ?   ?   360.975   8.5358      ?      ? 
1 1 1    8   18   34 o  428.956   9.1452  499.583   21.198   0.0000   0.0000  499.583   21.198  ?   ?   428.956   9.1452      ?      ? 
1 1 1    8   18   35 o  283.864   8.1807  235.327   11.545  171.914   18.936  272.845   14.565  250.681   13.979  317.047   8.5018 -66.36670 16.36139 
1 1 1    8   18   36 o  184.988   10.050   96.600   9.4218   84.707   15.860  103.086   11.713  175.445   16.729  194.532   11.142 -19.08688 20.10027 
1 1 1    8   18   37 o  473.748   9.7113  615.026   24.835  578.153   34.831  653.153   35.419  459.156   14.039  488.340   13.422 -29.18369 19.42260 
1 1 1    8   18   38 o  408.884   9.0230  459.303   19.869  441.892   28.966  474.775   27.306  401.270   13.359  416.498   12.133 -15.22794 18.04599 
1 1 1    8   18   39 o   80.860   17.693   18.860   7.5160   0.0000   0.0000   18.860   7.5160  ?   ?    80.860   17.693      ?      ? 
1 1 1    8   18   40 o   39.910   12.483  -3.6684   5.3727   1.8003   8.3346  -7.5566   7.0278   47.265   19.687   32.556   15.353 14.70925 24.96556 
1 1 1    8   18   41 o  116.030   12.173   33.857   6.4491   45.113   14.173   30.919   7.2422  126.071   20.805  105.990   12.645 20.08064 24.34632 
1 1 1    8   18   42 o  161.317   7.6522   73.311   6.4623   61.785   9.9622   81.685   8.4912  149.710   12.314  172.924   9.0872 -23.21399 15.30435 
1 1 1    8   18   43 o  197.680   10.149  107.140   10.841   0.0000   0.0000  107.140   10.841  ?   ?   197.680   10.149      ?      ? 
1 1 1    8   18   44 o  119.805   9.5425   40.367   6.0023   37.702   9.5069   42.134   7.7401  116.038   15.162  123.573   11.591 -7.535019 19.08503 
1 1 1    8   18   45 o  164.062   7.3257   73.327   6.3989   78.786   10.083   69.645   8.2799  168.904   11.048  159.220   9.6236 9.684082 14.65139 
1 1 1    8   18   46 o  185.169   6.8417   94.522   6.7404   93.079   10.441   95.553   8.8259  183.655   10.521  186.683   8.7492 -3.028488 13.68339 
1 1 1    8   18   47 o   52.509   12.436   6.1124   5.2203  -6.6051   8.5322   13.721   6.5997   37.296   17.370   67.722   17.800 -30.42616 24.87132 
1 1 1    8   18   48 o  311.918   6.0609  267.936   10.178  257.894   14.870  276.787   13.961  306.149   8.9886  317.686   8.1328 -11.53693 12.12172 
1 1 1    8   18   49 o  133.269   8.5851   50.206   6.0203   47.704   9.5228   51.872   7.7700  129.882   13.568  136.656   10.522 -6.773956 17.17027 
1 1 1    8   18   50 o  164.306   7.4907   76.340   6.4506   69.943   10.197   80.608   8.3288  157.800   11.959  170.812   9.0235 -13.01187 14.98139 
1 1 1    8   18   51 o   73.431   13.555   16.986   5.4044   14.996   8.6135   18.279   6.9405   69.177   21.113   77.685   17.005 -8.508255 27.10937 
1 1 1    8   18   52 o  165.056   7.4059   77.320   6.4607   68.492   9.8564   83.970   8.5549  156.000   11.692  174.112   9.0928 -18.11197 14.81186 
1 1 1    8   18   53 o  219.660   6.5520  135.347   7.6648  126.985   11.650  141.728   10.178  213.011   10.122  226.309   8.3225 -13.29771 13.10393 
1 1 1    8   18   54 o   45.381   13.621   1.5485   5.7229   5.9553   9.2328  -1.2010   7.2929   52.136   21.105   38.626   17.224 13.51012 27.24126 
1 1 1    8   18   55 o   47.979   13.373   3.5931   5.8852  -6.5172   9.1135   10.825   7.7077   37.435   17.602   58.522   20.138 -21.08667 26.74582 
1 1 1    8   18   56 o  101.416   13.211   34.736   6.7243   20.366   10.274   45.504   8.8939   77.384   22.934  125.447   13.120 -48.06359 26.42153 
1 1 1    8   18   57 o   40.356   12.683  -2.6021   6.1018 -12.7541   9.3805   4.8442   8.0338   33.343   16.233   47.369   19.492 -14.02644 25.36595 
1 1 1    8   18   58 o   72.254   14.910   18.918   6.2074   17.268   9.4871   20.153   8.2082   68.314   22.328   76.195   19.767 -7.881203 29.82055 
1 1 1    8   18   59 o   83.578   13.633   24.937   6.3426   16.430   9.4263   31.975   8.5738   66.239   22.277  100.917   15.722 -34.67852 27.26624 
1 1 1    8   19    0 o  243.012   6.5800  159.297   8.6288  170.609   12.552  149.162   11.881  251.172   9.2483  234.852   9.3623 16.32037 13.15991 
1 1 1    8   19    2 o  579.455   7.9456  907.056   24.852  880.118   34.193  937.224   36.185  570.358   11.094  588.551   11.378 -18.19238 15.89129 
1 1 1    8   19    3 o  525.741   8.7351  757.052   23.876  713.964   38.966  782.953   30.211  513.489   14.043  537.993   10.392 -24.50470 17.47025 
1 1 1    8   19    4 f  713.237   10.618  1376.20   40.922   0.0000   0.0000  1376.20   40.922  ?   ?   713.237   10.618      ?      ? 
1 1 1    8   19    5 o  670.033   8.7759  1214.06   31.774   0.0000   0.0000  1214.06   31.774  ?   ?   670.033   8.7759      ?      ? 
1 1 1    8   19    6 o  614.487   8.2671  1021.03   27.451   0.0000   0.0000  1021.03   27.451  ?   ?   614.487   8.2671      ?      ? 
1 1 1    8   19    7 o  199.085   7.5008  107.159   8.0693   0.0000   0.0000  107.159   8.0693  ?   ?   199.085   7.5008      ?      ? 
1 1 1    8   19    8 f  341.646   9.9928  315.746   18.448   0.0000   0.0000  315.746   18.448  ?   ?   341.646   9.9928      ?      ? 
1 1 1    8   19    9 o  650.234   8.6539  1143.38   30.407   0.0000   0.0000  1143.38   30.407  ?   ?   650.234   8.6539      ?      ? 
1 1 1    8   19   10 o  460.633   7.0622  573.622   17.579   0.0000   0.0000  573.622   17.579  ?   ?   460.633   7.0622      ?      ? 
1 1 1    8   19   11 o  145.494   9.7586   57.258   7.6722   0.0000   0.0000   57.258   7.6722  ?   ?   145.494   9.7586      ?      ? 
1 1 1    8   19   12 o  993.954   17.444  2679.08   93.691   0.0000   0.0000  2679.08   93.691  ?   ?   993.954   17.444      ?      ? 
1 1 1    8   19   13 o  216.009   11.475  126.278   13.394   0.0000   0.0000  126.278   13.394  ?   ?   216.009   11.475      ?      ? 
1 1 1    8   19   14 o  488.799   8.1615  639.647   18.575  660.586   37.717  632.943   21.342  493.805   14.135  483.793   8.1637 10.01172 16.32306 
1 1 1    8   19   15 o  490.274   8.1825  645.969   18.728  659.910   37.779  641.427   21.564  493.531   14.166  487.017   8.1940 6.514160 16.36502 
1 1 1    8   19   16 o  440.327   8.4275  501.211   18.435  584.910   34.632  468.116   21.777  464.677   13.792  415.977   9.6883 48.70007 16.85507 
1 1 1    8   19   18 o  664.968   8.8500  1196.31   31.781  1162.94   44.006  1232.68   45.946  655.298   12.428  674.638   12.603 -19.33978 17.70006 
1 1 1    8   19   21 o  234.110   7.4467  148.698   9.3928  135.903   13.307  161.401   13.260  224.031   10.993  244.189   10.049 -20.15744 14.89344 
1 1 1    8   19   22 o  625.698   8.4269  1059.18   28.467  1023.35   39.273  1098.85   41.323  614.580   11.826  636.817   12.008 -22.23700 16.85371 
1 1 1    8   19   23 o  549.992   10.804  819.530   32.109   0.0000   0.0000  819.530   32.109  ?   ?   549.992   10.804      ?      ? 
1 1 1    8   19   24 o  251.253   6.8624  170.816   9.3012  157.385   12.948  185.136   13.370  241.043   9.9408  261.463   9.4630 -20.42047 13.72473 
1 1 1    8   19   25 o  104.539   12.942   30.607   7.0754   26.465   10.246   34.383   9.7821   96.665   20.264  112.413   16.104 -15.74774 25.88345 
1 1 1    8   19   26 o  184.519   7.7243   91.804   7.6775  102.403   11.306   82.736   10.458  194.357   10.766  174.682   11.080 19.67514 15.44851 
1 1 1    8   19   27 o  295.586   6.4250  236.372   10.232  212.095   14.195  262.623   14.761  279.785   9.3893  311.388   8.7727 -31.60370 12.84991 
1 1 1    8   19   28 o  318.364   8.8291  274.634   15.189   0.0000   0.0000  274.634   15.189  ?   ?   318.364   8.8291      ?      ? 
1 1 1    8   19   29 o  153.270   11.757   63.832   9.7373   0.0000   0.0000   63.832   9.7373  ?   ?   153.270   11.757      ?      ? 
1 1 1    8   19   31 o  127.881   13.586   44.032   7.8728   48.919   16.115   42.501   9.0228  130.894   23.654  124.867   13.372 6.026871 27.17230 
1 1 1    8   19   32 o  230.445   9.7148  146.803   11.559  138.784   19.155  151.396   14.497  225.046   15.752  235.843   11.375 -10.79691 19.42957 
1 1 1    8   19   33 o  289.769   9.0800  231.995   13.978  184.617   19.849  278.604   19.687  259.745   14.142  319.793   11.393 -60.04837 18.16000 
1 1 1    8   19   34 o  386.244   9.0830  406.320   18.856  351.126   25.976  467.793   27.414  358.406   13.413  414.083   12.252 -55.67667 18.16609 
1 1 1    8   19   35 o  155.377   9.4962   65.867   7.9578   62.588   10.851   69.685   11.706  151.229   13.278  159.526   13.580 -8.297180 18.99244 
1 1 1    8   19   36 f  322.067   8.3420  281.905   14.518   0.0000   0.0000  281.905   14.518  ?   ?   322.067   8.3420      ?      ? 
1 1 1    8   19   37 o  169.252   7.5221   79.779   6.7398   65.984   9.9542   91.457   9.1585  155.254   11.865  183.251   9.2490 -27.99666 15.04415 
1 1 1    8   19   38 o  143.363   8.3527   56.119   6.4284   57.875   9.7224   54.755   8.5686  145.251   12.387  141.475   11.208 3.776306 16.70534 
1 1 1    8   19   39 f  401.091   6.4845  438.897   14.045  422.193   19.917  455.418   19.808  393.416   9.3690  408.766   8.9676 -15.34970 12.96899 
1 1 1    8   19   40 o  276.282   6.1717  209.046   9.1751  190.450   13.130  226.791   12.826  264.080   9.2012  288.484   8.2280 -24.40405 12.34344 
1 1 1    8   19   41 o  160.343   9.8555   70.397   8.5392   0.0000   0.0000   70.397   8.5392  ?   ?   160.343   9.8555      ?      ? 
1 1 1    8   19   42 o   70.486   15.690   15.535   6.4505   3.7297   15.123   18.160   7.1318   62.114   26.235   78.859   17.219 -16.74493 31.38093 
1 1 1    8   19   43 o  102.075   12.276   30.456   6.4938   24.411   9.3439   36.104   9.0313   90.610   19.650  113.540   14.720 -22.92973 24.55181 
1 1 1    8   19   44 o  124.434   10.011   43.472   6.7116   42.114   9.7733   44.685   9.2331  122.391   14.778  126.477   13.510 -4.086166 20.02231 
1 1 1    8   19   45 o  137.051   8.4430   52.476   6.0766   51.009   9.7338   53.413   7.7786  134.996   13.344  139.106   10.348 -4.110367 16.88602 
1 1 1    8   19   46 o  184.739   6.9328   95.698   6.7762   84.975   10.327  103.805   8.9794  175.039   10.918  194.438   8.5463 -19.39902 13.86552 
1 1 1    8   19   47 o  206.424   6.6324  118.051   7.2742  114.282   11.263  120.748   9.5282  203.176   10.258  209.673   8.4097 -6.497314 13.26490 
1 1 1    8   19   48 o  134.694   8.8064   52.255   6.1942   44.860   9.6478   57.442   8.0792  125.591   14.216  143.798   10.397 -18.20747 17.61276 
1 1 1    8   19   49 o   91.588   12.370   26.623   5.6627   19.428   9.2314   30.964   7.1701   78.482   21.247  104.693   12.674 -26.21129 24.73977 
1 1 1    8   19   50 o  181.843   7.1979   91.804   6.9512   93.771   10.926   90.465   9.0096  182.987   11.050  180.699   9.2270 2.288757 14.39580 
1 1 1    8   19   51 o   84.628   12.989   23.660   5.8173   14.340   9.3630   29.520   7.4241   67.606   22.185  101.650   13.516 -34.04397 25.97847 
1 1 1    8   19   52 o   52.320   14.068   6.8489   5.7517   1.5514   9.2933   10.138   7.3228   46.650   20.153   57.989   19.634 -11.33929 28.13616 
1 1 1    8   19   53 o  237.499   6.6418  158.831   8.4450  148.030   12.544  167.786   11.421  229.413   10.118  245.584   8.6064 -16.17053 13.28357 
1 1 1    8   19   54 o  135.573   9.3690   51.466   6.7192   68.747   10.662   40.081   8.6541  154.062   12.807  117.084   13.678 36.97837 18.73807 
1 1 1    8   19   55 o   96.652   13.007   32.640   6.5232   13.852   9.8866   47.126   8.6810   65.271   22.787  128.034   12.547 -62.76340 26.01328 
1 1 1    8   19   56 o  116.313   11.601   43.200   6.7598   37.521   10.733   46.933   8.7025  106.439   19.376  126.186   12.763 -19.74727 23.20128 
1 1 1    8   19   57 o   51.056   14.167   4.6469   6.3614   15.195   9.4917  -3.9547   8.5713   64.681   22.342   37.431   17.425 27.25034 28.33358 
1 1 1    8   19   58 o  112.360   11.880   41.700   6.7313   33.129   10.094   48.563   9.0330   97.838   19.773  126.882   13.175 -29.04317 23.76049 
1 1 1    8   20    0 o  401.397   9.8373  435.818   21.337  435.818   21.337   0.0000   0.0000  401.397   9.8373  ?   ?       ?      ? 
1 1 1    8   20    2 o  612.234   9.4031  1000.80   26.857  1042.79   54.489  987.326   30.867  620.282   16.257  604.186   9.4546 16.09619 18.80619 
1 1 1    8   20    3 o  536.387   8.4983  784.119   21.949  766.667   41.751  790.784   25.802  532.022   14.523  540.753   8.8302 -8.730652 16.99654 
1 1 1    8   20    4 o  327.671   8.7005  290.354   15.405   0.0000   0.0000  290.354   15.405  ?   ?   327.671   8.7005      ?      ? 
1 1 1    8   20    5 o  1035.52   12.753  2902.90   71.358   0.0000   0.0000  2902.90   71.358  ?   ?   1035.52   12.753      ?      ? 
1 1 1    8   20    6 o  766.467   14.207  1591.21   58.840   0.0000   0.0000  1591.21   58.840  ?   ?   766.467   14.207      ?      ? 
1 1 1    8   20    7 o  927.518   16.592  2332.53   83.160   0.0000   0.0000  2332.53   83.160  ?   ?   927.518   16.592      ?      ? 
1 1 1    8   20    8 o  725.539   11.028  1424.55   43.236   0.0000   0.0000  1424.55   43.236  ?   ?   725.539   11.028      ?      ? 
1 1 1    8   20    9 o  987.901   17.506  2647.81   93.454   0.0000   0.0000  2647.81   93.454  ?   ?   987.901   17.506      ?      ? 
1 1 1    8   20   10 o  324.255   7.8287  284.313   13.717   0.0000   0.0000  284.313   13.717  ?   ?   324.255   7.8287      ?      ? 
1 1 1    8   20   11 o  129.769   13.293   45.609   9.3213   0.0000   0.0000   45.609   9.3213  ?   ?   129.769   13.293      ?      ? 
1 1 1    8   20   13 o  502.322   7.5629  682.295   20.529   0.0000   0.0000  682.295   20.529  ?   ?   502.322   7.5629      ?      ? 
1 1 1    8   20   14 o  537.239   11.569  781.401   33.585   0.0000   0.0000  781.401   33.585  ?   ?   537.239   11.569      ?      ? 
1 1 1    8   20   15 o  524.211   9.0229  748.656   24.266  731.081   41.171  758.011   30.037  519.239   14.674  529.183   10.504 -9.943176 18.04589 
1 1 1    8   20   16 o  811.537   12.549  1790.99   51.868  1784.91   89.751  1794.04   63.557  809.734   20.512  813.340   14.461 -3.605774 25.09715 
1 1 1    8   20   18 o  246.793   10.284  164.882   13.715   0.0000   0.0000  164.882   13.715  ?   ?   246.793   10.284      ?      ? 
1 1 1    8   20   19 o  199.862   12.285  108.255   13.268  108.255   13.268   0.0000   0.0000  199.862   12.285  ?   ?       ?      ? 
1 1 1    8   20   21 o  289.188   6.8126  225.079   10.612  204.339   14.392  249.792   15.709  274.675   9.6962  303.701   9.5724 -29.02631 13.62521 
1 1 1    8   20   23 o  534.731   10.657  775.036   30.794   0.0000   0.0000  775.036   30.794  ?   ?   534.731   10.657      ?      ? 
1 1 1    8   20   24 o  305.845   6.6576  253.671   10.992  243.796   15.677  263.218   15.415  299.962   9.6720  311.728   9.1513 -11.76566 13.31519 
1 1 1    8   20   26 o  153.605   12.636   64.141   10.488   0.0000   0.0000   64.141   10.488  ?   ?   153.605   12.636      ?      ? 
1 1 1    8   20   27 o  339.724   6.5414  313.303   11.994  298.704   17.073  327.529   16.854  331.865   9.5205  347.582   8.9732 -15.71750 13.08272 
1 1 1    8   20   28 o  150.738   13.607   60.435   10.818   71.644   17.804   53.874   13.621  161.304   20.426  140.173   17.983 21.13153 27.21411 
1 1 1    8   20   29 o  219.002   10.822  136.961   12.224  103.987   18.767  161.261   16.110  194.619   17.845  243.384   12.250 -48.76492 21.64466 
1 1 1    8   20   30 o  169.732   12.833   84.821   10.833   62.387   17.753   98.131   13.675  149.869   21.922  189.595   13.348 -39.72614 25.66576 
1 1 1    8   20   31 o  285.883   9.4186  227.228   14.280  185.045   20.763  265.090   19.671  259.891   14.785  311.875   11.672 -51.98474 18.83727 
1 1 1    8   20   32 o   55.679   15.883   3.8926   7.2915   2.1734   9.5337   6.3153   11.318   50.988   21.131   60.370   23.719 -9.382656 31.76627 
1 1 1    8   20   33 o  376.761   6.4790  386.037   13.163  382.842   19.200  388.871   18.082  375.212   9.4697  378.311   8.8451 -3.098572 12.95807 
1 1 1    8   20   34 o  106.068   12.155   32.346   6.6183   26.993   9.9704   36.563   8.8491   96.768   19.736  115.368   14.195 -18.59914 24.31069 
1 1 1    8   20   35 o  157.078   8.1886   67.950   6.8851   63.506   10.260   71.590   9.2868  152.220   12.473  161.937   10.613 -9.717087 16.37721 
1 1 1    8   20   36 o   95.516   12.335   26.232   6.1052   23.274   9.3148   28.461   8.0837   89.474   19.791  101.558   14.730 -12.08370 24.67072 
1 1 1    8   20   37 o  104.034   12.120   32.013   6.3418   23.924   9.7021   38.047   8.3798   90.478   20.339  117.590   13.188 -27.11189 24.24022 
1 1 1    8   20   38 o  230.725   6.5952  145.560   8.1626  143.534   12.259  147.173   10.941  229.128   9.9013  232.322   8.7149 -3.194733 13.19032 
1 1 1    8   20   39 o  205.188   6.8157  114.677   7.5025  119.282   11.403  111.162   9.9625  208.676   10.113  201.700   9.1406 6.975632 13.63141 
1 1 1    8   20   40 o  213.118   6.8729  125.121   7.8378  118.360   11.745  130.549   10.524  207.668   10.467  218.568   8.9103 -10.89944 13.74576 
1 1 1    8   20   41 o  320.783   8.3746  281.111   14.517   0.0000   0.0000  281.111   14.517  ?   ?   320.783   8.3746      ?      ? 
1 1 1    8   20   42 o   71.758   16.605   15.419   6.8721   10.259   15.053   16.778   7.7239   68.530   27.217   74.985   19.030 -6.454697 33.21036 
1 1 1    8   20   43 o   92.828   14.659   33.104   6.7295   9.0428   14.897   39.272   7.5430   66.647   26.868  119.009   11.729 -52.36141 29.31702 
1 1 1    8   20   44 o   52.709   14.498   5.7372   6.0840   1.7269   9.4020   8.6261   7.9799   48.460   20.588   56.959   20.417 -8.499016 28.99528 
1 1 1    8   20   45 o  208.308   8.7862  119.272   9.8900   0.0000   0.0000  119.272   9.8900  ?   ?   208.308   8.7862      ?      ? 
1 1 1    8   20   46 o  195.479   8.6775  105.153   9.1660   0.0000   0.0000  105.153   9.1660  ?   ?   195.479   8.6775      ?      ? 
1 1 1    8   20   47 o  108.117   10.420   32.190   5.8991   38.520   9.9212   28.728   7.3370  115.549   15.889  100.686   13.485 14.86337 20.84062 
1 1 1    8   20   48 o   79.494   13.838   19.403   5.7771   20.698   9.3946   18.617   7.3259   80.847   21.232   78.140   17.754 2.707092 27.67634 
1 1 1    8   20   49 o  106.054   11.655   34.681   6.1158   27.193   9.7056   39.613   7.8762   93.659   19.797  118.450   12.305 -24.79147 23.30950 
1 1 1    8   20   50 o  206.725   6.8408  120.149   7.5055  112.391   11.528  125.857   9.8883  200.215   10.656  213.236   8.5817 -13.02094 13.68159 
1 1 1    8   20   51 o   51.094   14.191   6.0746   5.7938   3.2465   9.1054   7.9988   7.5105   48.446   20.404   53.742   19.729 -5.296009 28.38226 
1 1 1    8   20   52 f   53.798   14.859   7.4766   6.1736   9.5284   9.6279   6.0439   8.0452   57.464   22.069   50.132   19.902 7.331188 29.71741 
1 1 1    8   20   53 o   57.051   15.154   9.5462   6.2891   9.7278   9.6476   9.4120   8.2933   57.822   22.119   56.279   20.721 1.542747 30.30870 
1 1 1    8   20   54 o   89.926   13.850   27.153   6.6333   18.658   10.321   33.131   8.6585   73.992   23.200  105.860   15.136 -31.86853 27.70087 
1 1 1    8   20   55 o   91.471   13.597   29.120   6.5410   22.728   10.032   33.847   8.6269   78.334   22.508  104.609   15.262 -26.27530 27.19415 
1 1 1    8   20   56 o   95.804   13.351   30.358   6.6373   31.535   9.9255   29.406   8.9267   96.777   19.651   94.832   18.080 1.945229 26.70286 
1 1 1    8   20   57 o   97.985   13.082   32.222   6.6864   33.301   10.359   31.451   8.7545   96.948   20.418   99.021   16.361 -2.072968 26.16459 
1 1 1    8   21    0 o  250.499   7.2835  169.947   9.8471  160.777   13.955  179.040   13.897  243.752   10.595  257.246   9.9975 -13.49387 14.56697 
1 1 1    8   21    1 o  380.225   12.486  391.441   25.654  391.441   25.654   0.0000   0.0000  380.225   12.486  ?   ?       ?      ? 
1 1 1    8   21    2 o  356.807   7.5956  341.763   13.847  352.928   24.028  336.211   16.943  361.047   12.316  352.567   8.8932 8.479584 15.19129 
1 1 1    8   21    3 o  679.370   12.502  1249.68   45.895   0.0000   0.0000  1249.68   45.895  ?   ?   679.370   12.502      ?      ? 
1 1 1    8   21    4 o  752.107   14.080  1532.48   57.223   0.0000   0.0000  1532.48   57.223  ?   ?   752.107   14.080      ?      ? 
1 1 1    8   21    5 o  374.709   6.9454  379.608   14.063   0.0000   0.0000  379.608   14.063  ?   ?   374.709   6.9454      ?      ? 
1 1 1    8   21    6 o  335.376   11.386  304.445   20.635   0.0000   0.0000  304.445   20.635  ?   ?   335.376   11.386      ?      ? 
1 1 1    8   21    7 o  703.313   10.857  1338.72   41.263   0.0000   0.0000  1338.72   41.263  ?   ?   703.313   10.857      ?      ? 
1 1 1    8   21    8 o  491.015   11.353  652.663   30.122   0.0000   0.0000  652.663   30.122  ?   ?   491.015   11.353      ?      ? 
1 1 1    8   21    9 f  186.935   8.7732   94.532   8.8621   0.0000   0.0000   94.532   8.8621  ?   ?   186.935   8.7732      ?      ? 
1 1 1    8   21   10 o  154.226   10.220   64.380   8.5169   0.0000   0.0000   64.380   8.5169  ?   ?   154.226   10.220      ?      ? 
1 1 1    8   21   11 o  696.875   13.246  1316.23   49.878   0.0000   0.0000  1316.23   49.878  ?   ?   696.875   13.246      ?      ? 
1 1 1    8   21   12 o  301.366   11.649  245.989   18.970   0.0000   0.0000  245.989   18.970  ?   ?   301.366   11.649      ?      ? 
1 1 1    8   21   13 o  364.190   6.8323  358.658   13.446   0.0000   0.0000  358.658   13.446  ?   ?   364.190   6.8323      ?      ? 
1 1 1    8   21   14 o  249.418   12.492  168.569   16.837   0.0000   0.0000  168.569   16.837  ?   ?   249.418   12.492      ?      ? 
1 1 1    8   21   15 f  494.807   9.9965  662.834   26.728   0.0000   0.0000  662.834   26.728  ?   ?   494.807   9.9965      ?      ? 
1 1 1    8   21   16 o  189.495   8.8776   96.519   8.4237   99.617   15.190   95.144   10.123  191.548   14.675  187.442   9.9943 4.105179 17.75516 
1 1 1    8   21   17 o  287.757   7.7054  221.190   11.104  232.883   20.113  216.064   13.318  292.996   12.704  282.519   8.7238 10.47726 15.41080 
1 1 1    8   21   18 o  219.372   7.6527  130.657   9.0346  145.311   12.851  116.337   12.704  231.589   10.269  207.155   11.349 24.43436 15.30538 
1 1 1    8   21   19 o  345.950   6.7510  323.656   12.608  335.206   18.337  313.301   17.363  351.786   9.6466  340.115   9.4471 11.67072 13.50202 
1 1 1    8   21   20 o  439.753   7.0761  523.938   16.811  508.935   23.657  539.240   23.893  433.382   10.102  446.123   9.9113 -12.74057 14.15222 
1 1 1    8   21   22 o  314.067   9.2700  267.277   15.732   0.0000   0.0000  267.277   15.732  ?   ?   314.067   9.2700      ?      ? 
1 1 1    8   21   23 o  136.559   15.234   50.358   9.4616   55.586   19.233   48.689   10.868  139.447   26.493  133.672   15.045 5.774857 30.46706 
1 1 1    8   21   24 o  363.415   9.8742  361.306   19.302  331.982   27.824  388.513   26.800  348.967   14.755  377.863   13.126 -28.89603 19.74833 
1 1 1    8   21   25 o  311.918   10.016  267.721   16.719  236.712   24.375  295.270   22.975  294.466   15.319  329.370   12.909 -34.90372 20.03240 
1 1 1    8   21   26 o  334.641   9.8170  307.158   17.613  265.090   25.030  348.423   24.790  311.585   14.866  357.698   12.825 -46.11353 19.63392 
1 1 1    8   21   27 o  366.969   9.6682  368.839   19.086  332.207   27.174  404.504   26.814  348.715   14.421  385.223   12.881 -36.50769 19.33635 
1 1 1    8   21   28 o  115.864   13.870   36.345   8.3651   30.890   10.670   45.045   13.475  104.089   19.691  127.639   19.538 -23.54962 27.73907 
1 1 1    8   21   29 o  260.797   6.8194  185.112   9.5924  172.575   13.589  197.565   13.543  251.928   9.9820  269.666   9.2939 -17.73793 13.63875 
1 1 1    8   21   30 o  265.084   6.6956  191.406   9.5676  182.652   13.809  199.486   13.268  259.177   9.8603  270.991   9.0607 -11.81461 13.39110 
1 1 1    8   21   31 f  229.592   6.9287  144.166   8.5509  131.841   12.357  155.492   11.845  220.026   10.393  239.157   9.1658 -19.13174 13.85734 
1 1 1    8   21   32 f  163.499   8.3989   74.072   7.3160   62.717   10.652   84.211   10.066  151.282   13.030  175.716   10.601 -24.43452 16.79786 
1 1 1    8   21   33 o  261.274   8.7496  185.747   12.353   0.0000   0.0000  185.747   12.353  ?   ?   261.274   8.7496      ?      ? 
1 1 1    8   21   34 o  118.855   16.130   39.141   10.360   39.141   10.360   0.0000   0.0000  118.855   16.130  ?   ?       ?      ? 
1 1 1    8   21   35 o  214.750   6.9315  124.642   7.9759  134.975   12.264  117.069   10.499  222.297   10.210  207.203   9.3774 15.09328 13.86291 
1 1 1    8   21   36 o  206.600   7.1885  118.307   7.9143  101.998   11.616  132.436   10.812  192.879   11.145  220.321   9.0816 -27.44183 14.37694 
1 1 1    8   21   37 o  105.142   11.587   30.784   6.5516   32.495   9.8521   29.427   8.7724  107.623   16.941  102.661   15.813 4.962059 23.17446 
1 1 1    8   21   38 o  218.214   6.7504  130.065   7.9179  132.751   11.872  127.913   10.626  220.110   9.9815  216.319   9.0908 3.790176 13.50083 
1 1 1    8   21   39 o  138.944   9.0805   53.110   6.6978   55.451   10.597   51.553   8.6433  141.184   13.890  136.704   11.701 4.480576 18.16109 
1 1 1    8   21   40 o  105.213   11.970   33.185   6.2981   26.045   9.8652   38.098   8.1827   93.377   20.143  117.049   12.937 -23.67262 23.93991 
1 1 1    8   21   41 o   68.340   13.509   14.439   5.9832   2.4036   9.6638   21.920   7.6192   50.187   21.072   86.493   16.908 -36.30648 27.01715 
1 1 1    8   21   42 o  154.689   8.3632   67.940   6.8164   57.786   10.334   75.761   9.0691  143.658   13.312  165.719   10.128 -22.06081 16.72647 
1 1 1    8   21   43 o  287.661   8.4205  232.657   11.474  226.126   22.236  235.026   13.394  282.712   14.555  292.610   8.4713 -9.897949 16.84105 
1 1 1    8   21   44 o  147.073   8.8148   60.441   6.8336   61.123   10.948   60.005   8.7466  147.187   13.765  146.960   11.014 0.2272644 17.62956 
1 1 1    8   21   45 o  287.169   10.601  229.279   16.450   0.0000   0.0000  229.279   16.450  ?   ?   287.169   10.601      ?      ? 
1 1 1    8   21   46 o  146.607   8.4392   60.196   6.5349   61.302   10.428   59.480   8.3861  147.129   13.116  146.085   10.623 1.044464 16.87848 
1 1 1    8   21   47 o  197.946   9.0356  108.450   9.6647   0.0000   0.0000  108.450   9.6647  ?   ?   197.946   9.0356      ?      ? 
1 1 1    8   21   48 o  142.018   11.169   56.556   8.5711   0.0000   0.0000   56.556   8.5711  ?   ?   142.018   11.169      ?      ? 
1 1 1    8   21   49 f  161.447   8.4484   76.383   7.0890   60.186   10.767   88.778   9.4188  144.559   13.783  178.335   9.7740 -33.77631 16.89682 
1 1 1    8   21   50 o  159.928   8.2620   73.333   7.0141   67.491   10.689   77.749   9.2949  153.446   12.892  166.410   10.337 -12.96336 16.52392 
1 1 1    8   21   51 o   58.383   14.335   10.529   6.0904   2.8135   9.6306   15.671   7.8623   47.805   20.584   68.962   19.958 -21.15741 28.67100 
1 1 1    8   21   52 o   67.029   15.316   15.020   6.5556   10.282   10.132   18.432   8.5976   59.226   22.665   74.832   20.607 -15.60606 30.63288 
1 1 1    8   21   53 o   59.613   15.546   10.890   6.5306   11.786   10.192   10.266   8.5061   61.349   22.897   57.877   21.034 3.472115 31.09154 
1 1 1    8   21   54 o  138.195   9.5725   58.672   7.0119   52.187   10.521   63.853   9.4050  129.454   15.041  146.936   11.845 -17.48157 19.14495 
1 1 1    8   21   55 f   83.486   13.661   24.267   6.4858   13.971   9.4216   33.542   8.9418   62.876   22.222  104.096   15.896 -41.22060 27.32249 
1 1 1    8   21   56 f   32.859   11.280 -10.7915   6.1859  -5.0722   9.2712 -15.3804   8.3047   37.160   17.558   28.558   14.165 8.602203 22.55951 
1 1 1    8   22    0 f  372.418   6.8467  372.762   13.730  341.669   18.527  410.643   20.450  355.312   9.6496  389.524   9.7157 -34.21201 13.69339 
1 1 1    8   22    1 o  571.558   9.3976  892.837   27.854  858.558   45.969  912.725   35.015  562.549   15.122  580.567   11.161 -18.01874 18.79512 
1 1 1    8   22    2 o  303.684   7.0779  246.899   10.528  256.081   19.761  243.260   12.440  307.470   11.894  299.899   7.6766 7.571747 14.15581 
1 1 1    8   22    3 o  562.646   10.951  857.185   33.296   0.0000   0.0000  857.185   33.296  ?   ?   562.646   10.951      ?      ? 
1 1 1    8   22    4 o  288.935   8.6645  225.865   13.528   0.0000   0.0000  225.865   13.528  ?   ?   288.935   8.6645      ?      ? 
1 1 1    8   22    5 o  459.422   11.141  571.552   27.657   0.0000   0.0000  571.552   27.657  ?   ?   459.422   11.141      ?      ? 
1 1 1    8   22    6 o  220.591   8.6854  131.651   10.353   0.0000   0.0000  131.651   10.353  ?   ?   220.591   8.6854      ?      ? 
1 1 1    8   22    7 o  322.058   8.6345  280.620   15.027   0.0000   0.0000  280.620   15.027  ?   ?   322.058   8.6345      ?      ? 
1 1 1    8   22    8 o  378.930   10.816  388.803   22.148   0.0000   0.0000  388.803   22.148  ?   ?   378.930   10.816      ?      ? 
1 1 1    8   22    9 o  286.312   12.126  222.125   18.761   0.0000   0.0000  222.125   18.761  ?   ?   286.312   12.126      ?      ? 
1 1 1    8   22   10 o  270.258   10.850  197.833   15.846   0.0000   0.0000  197.833   15.846  ?   ?   270.258   10.850      ?      ? 
1 1 1    8   22   11 o  317.033   8.8476  272.051   15.157   0.0000   0.0000  272.051   15.157  ?   ?   317.033   8.8476      ?      ? 
1 1 1    8   22   12 f  318.985   6.8922  275.239   11.880   0.0000   0.0000  275.239   11.880  ?   ?   318.985   6.8922      ?      ? 
1 1 1    8   22   13 o  366.533   6.9405  363.434   13.747   0.0000   0.0000  363.434   13.747  ?   ?   366.533   6.9405      ?      ? 
1 1 1    8   22   14 o  224.905   7.5775  136.873   9.2090   0.0000   0.0000  136.873   9.2090  ?   ?   224.905   7.5775      ?      ? 
1 1 1    8   22   15 o  134.750   10.908   49.218   7.9427   0.0000   0.0000   49.218   7.9427  ?   ?   134.750   10.908      ?      ? 
1 1 1    8   22   16 o  298.696   7.2503  250.840   10.435  221.351   19.276  263.066   12.411  285.596   12.490  311.795   7.3665 -26.19864 14.50069 
1 1 1    8   22   17 o  408.132   7.6122  450.828   16.788   0.0000   0.0000  450.828   16.788  ?   ?   408.132   7.6122      ?      ? 
1 1 1    8   22   18 o  223.529   8.1500  135.286   9.8442   0.0000   0.0000  135.286   9.8442  ?   ?   223.529   8.1500      ?      ? 
1 1 1    8   22   19 o  175.604   14.558   81.804   13.532   98.694   22.019   71.554   17.153  189.574   21.494  161.634   19.639 27.94063 29.11531 
1 1 1    8   22   20 o   61.443   19.229  -5.1974   12.654 -14.1644   20.354   0.4518   16.155   59.773   27.480   63.113   26.905 -3.339432 38.45814 
1 1 1    8   22   21 o  485.165   10.880  643.195   28.476  604.955   40.487  680.631   40.059  470.707   15.918  499.623   14.838 -28.91626 21.76063 
1 1 1    8   22   22 o  212.022   13.589  131.280   14.573   91.419   22.520  160.000   19.116  181.838   22.919  242.206   14.605 -60.36794 27.17706 
1 1 1    8   22   23 o  250.756   11.148  174.059   14.863  157.185   22.448  187.230   19.832  239.489   17.346  262.022   14.007 -22.53329 22.29535 
1 1 1    8   22   24 o  279.881   7.0274  211.652   10.600  193.413   14.437  232.983   15.613  266.856   10.012  292.907   9.8642 -26.05118 14.05489 
1 1 1    8   22   25 o  256.430   9.7191  178.656   13.467   0.0000   0.0000  178.656   13.467  ?   ?   256.430   9.7191      ?      ? 
1 1 1    8   22   26 o  340.201   6.6962  314.404   12.296  294.676   17.216  334.948   17.568  329.267   9.6760  351.135   9.2591 -21.86749 13.39238 
1 1 1    8   22   27 o  203.997   7.5981  113.373   8.3655  110.787   12.046  115.783   11.626  201.704   11.052  206.290   10.430 -4.585876 15.19625 
1 1 1    8   22   28 o  382.347   9.1919  397.275   18.991   0.0000   0.0000  397.275   18.991  ?   ?   382.347   9.1919      ?      ? 
1 1 1    8   22   29 o  256.495   9.3435  178.954   12.950   0.0000   0.0000  178.954   12.950  ?   ?   256.495   9.3435      ?      ? 
1 1 1    8   22   30 f  219.440   9.8628  131.207   11.695   0.0000   0.0000  131.207   11.695  ?   ?   219.440   9.8628      ?      ? 
1 1 1    8   22   32 o  342.749   8.9249  319.907   16.530   0.0000   0.0000  319.907   16.530  ?   ?   342.749   8.9249      ?      ? 
1 1 1    8   22   33 o  111.316   11.514   34.271   6.9086   36.604   10.219   32.307   9.3759  114.753   16.480  107.880   16.084 6.873840 23.02774 
1 1 1    8   22   34 o  120.984   10.621   40.545   6.9287   41.686   10.193   39.565   9.4471  122.481   15.400  119.486   14.632 2.995018 21.24265 
1 1 1    8   22   35 o  190.544   7.5184  100.207   7.6717   93.977   11.422  105.328   10.355  184.892   11.433  196.196   9.7670 -11.30373 15.03674 
1 1 1    8   22   36 o   51.751   14.712   3.6360   6.3186   7.2518   9.6215   0.8940   8.3786   57.752   22.090   45.751   19.436 12.00087 29.42345 
1 1 1    8   22   37 o  201.885   9.4860  111.626   10.348   0.0000   0.0000  111.626   10.348  ?   ?   201.885   9.4860      ?      ? 
1 1 1    8   22   38 o  103.905   12.114   30.211   6.5514   38.932   10.160   24.004   8.5716  117.488   16.003   90.322   18.191 27.16647 24.22858 
1 1 1    8   22   39 o  226.459   8.9154  140.605   10.910   0.0000   0.0000  140.605   10.910  ?   ?   226.459   8.9154      ?      ? 
1 1 1    8   22   40 o  110.599   10.891   33.947   6.4369   39.240   10.061   30.279   8.3756  117.618   15.829  103.580   14.964 14.03799 21.78296 
1 1 1    8   22   41 f  125.368   9.9037   43.657   6.6324   48.535   10.364   40.274   8.6311  130.970   14.645  119.766   13.337 11.20427 19.80748 
1 1 1    8   22   42 o  288.255   8.5855  228.267   13.373   0.0000   0.0000  228.267   13.373  ?   ?   288.255   8.5855      ?      ? 
1 1 1    8   22   43 o   49.725   14.421   2.8821   6.1787   7.6828   9.7665  -0.3215   7.9782   57.149   22.151   42.302   18.470 14.84692 28.84122 
1 1 1    8   22   44 o   65.789   16.825   12.839   7.2615   5.7050   16.031   14.680   8.1450   62.618   26.750   68.960   20.416 -6.342140 33.65069 
1 1 1    8   22   45 o  126.453   11.030   46.079   7.3455   33.832   9.9933   60.473   10.834  107.308   17.234  145.598   13.770 -38.29030 22.05980 
1 1 1    8   22   46 o   47.396   14.378   1.6543   6.5954   1.4751   9.1494   1.8482   9.5160   46.796   20.105   47.996   20.559 -1.200069 28.75600 
1 1 1    8   22   47 o  112.973   10.686   36.127   6.4221   42.663   10.243   31.894   8.2434  120.873   15.683  105.073   14.519 15.80004 21.37136 
1 1 1    8   22   48 o  116.247   10.418   38.517   6.4456   43.856   10.240   35.014   8.2950  122.352   15.489  110.142   13.937 12.20988 20.83614 
1 1 1    8   22   49 o   83.126   13.726   23.874   6.7138   10.066   10.333   33.962   8.8320   59.127   22.822  107.125   15.257 -47.99795 27.45222 
1 1 1    8   22   50 o   77.266   13.826   20.929   6.5826   8.2962   10.567   28.938   8.4144   56.316   22.655   98.216   15.855 -41.90086 27.65193 
1 1 1    8   22   52 f   46.904   14.179   3.3739   6.3823   0.5394   10.268   5.1586   8.1475   45.723   20.409   48.085   19.690 -2.362263 28.35855 
1 1 1    8   22   53 o   40.684   13.084  -0.7808   6.2038  -0.8706   9.7202  -0.7192   8.0585   42.142   19.230   39.226   17.746 2.916286 26.16705 
1 1 1    8   22   54 o  112.448   12.660   43.459   6.8988   25.729   10.193   58.443   9.3711   84.207   22.117  140.688   12.327 -56.48094 25.31998 
1 1 1    8   22   55 o   87.950   17.261   32.001   8.2916   32.275   9.8894   31.351   15.214   95.395   19.832   80.505   28.258 14.89009 34.52257 
1 1 1    8   23    0 o  642.620   10.278  1128.18   34.056  1098.42   57.103  1144.60   42.426  635.503   16.629  649.736   12.084 -14.23303 20.55560 
1 1 1    8   23    1 o  213.393   8.1676  124.230   9.0632  120.428   14.896  126.465   11.420  210.686   13.084  216.099   9.7801 -5.413345 16.33511 
1 1 1    8   23    2 o  385.415   9.0868  402.156   18.925   0.0000   0.0000  402.156   18.925  ?   ?   385.415   9.0868      ?      ? 
1 1 1    8   23    3 o  222.537   7.8929  134.010   9.4914   0.0000   0.0000  134.010   9.4914  ?   ?   222.537   7.8929      ?      ? 
1 1 1    8   23    4 o  467.530   8.4482  591.647   21.343   0.0000   0.0000  591.647   21.343  ?   ?   467.530   8.4482      ?      ? 
1 1 1    8   23    5 o  430.568   11.394  502.566   26.509   0.0000   0.0000  502.566   26.509  ?   ?   430.568   11.394      ?      ? 
1 1 1    8   23    6 o  220.649   7.9816  131.760   9.5165   0.0000   0.0000  131.760   9.5165  ?   ?   220.649   7.9816      ?      ? 
1 1 1    8   23    7 o  334.629   8.4087  303.108   15.205   0.0000   0.0000  303.108   15.205  ?   ?   334.629   8.4087      ?      ? 
1 1 1    8   23    8 o  383.913   7.0305  398.749   14.585   0.0000   0.0000  398.749   14.585  ?   ?   383.913   7.0305      ?      ? 
1 1 1    8   23    9 o  435.673   10.941  514.513   25.757   0.0000   0.0000  514.513   25.757  ?   ?   435.673   10.941      ?      ? 
1 1 1    8   23   10 o  143.045   11.740   55.498   9.0743   0.0000   0.0000   55.498   9.0743  ?   ?   143.045   11.740      ?      ? 
1 1 1    8   23   11 o  248.171   9.7362  166.856   13.057   0.0000   0.0000  166.856   13.057  ?   ?   248.171   9.7362      ?      ? 
1 1 1    8   23   12 o  486.656   10.288  641.910   27.056   0.0000   0.0000  641.910   27.056  ?   ?   486.656   10.288      ?      ? 
1 1 1    8   23   13 o  200.950   10.895  109.510   11.831   0.0000   0.0000  109.510   11.831  ?   ?   200.950   10.895      ?      ? 
1 1 1    8   23   18 o  213.882   8.9105  129.586   9.3661  111.577   16.606  137.987   11.342  202.199   15.198  225.565   9.3056 -23.36549 17.82092 
1 1 1    8   23   19 o  349.102   8.0108  331.326   14.576  330.856   24.006  331.600   18.345  348.633   12.743  349.571   9.7117 -0.9375610 16.02158 
1 1 1    8   23   21 o  111.321   13.490   34.665   7.9358   33.831   11.411   35.447   11.044  109.091   20.097  113.550   17.999 -4.459267 26.97937 
1 1 1    8   23   23 f  232.826   7.4820  147.673   9.3928  136.112   13.248  159.359   13.319  223.592   10.965  242.060   10.183 -18.46881 14.96395 
1 1 1    8   23   24 o  313.753   9.3573  267.466   15.864   0.0000   0.0000  267.466   15.864  ?   ?   313.753   9.3573      ?      ? 
1 1 1    8   23   25 o  301.565   9.3530  247.163   15.241   0.0000   0.0000  247.163   15.241  ?   ?   301.565   9.3530      ?      ? 
1 1 1    8   23   26 o  151.739   9.9572   64.209   8.0199   53.359   11.743   73.693   10.979  139.267   15.604  164.212   12.373 -24.94533 19.91443 
1 1 1    8   23   27 o  208.290   10.468  118.296   11.782   0.0000   0.0000  118.296   11.782  ?   ?   208.290   10.468      ?      ? 
1 1 1    8   23   28 o  136.079   10.077   50.907   7.4022   54.299   10.644   47.729   10.301  140.505   14.019  131.653   14.480 8.851517 20.15434 
1 1 1    8   23   29 o  219.180   7.4849  129.556   8.8071  146.829   13.408  116.447   11.680  231.843   10.702  206.517   10.467 25.32567 14.96973 
1 1 1    8   23   30 o  162.402   8.9806   72.389   7.8505   72.863   11.640   71.994   10.633  162.778   13.233  162.027   12.144 0.7506104 17.96121 
1 1 1    8   23   31 o  111.427   16.214   34.516   9.7626   0.0000   0.0000   34.516   9.7626  ?   ?   111.427   16.214      ?      ? 
1 1 1    8   23   32 o  135.103   10.113   51.085   7.3033   44.882   10.658   56.575   10.028  126.991   15.531  143.214   12.958 -16.22273 20.22692 
1 1 1    8   23   33 o   63.419   15.767   9.9615   6.8121   14.696   10.189   6.1340   9.1606   71.576   23.121   55.262   21.444 16.31373 31.53474 
1 1 1    8   23   34 o  138.257   9.6801   52.826   7.2118   55.682   10.694   50.444   9.7667  141.594   13.977  134.920   13.396 6.674347 19.36030 
1 1 1    8   23   35 o   59.429   15.458   8.6791   6.5503   7.1790   9.6317   9.9700   8.9346   57.483   22.074   61.374   21.646 -3.890320 30.91621 
1 1 1    8   23   36 o  201.453   7.4378  112.541   8.0320  102.921   11.782  120.895   10.979  193.063   11.293  209.843   9.6821 -16.77963 14.87556 
1 1 1    8   23   37 o  243.201   6.9045  163.809   9.0002  150.001   13.219  175.740   12.288  233.254   10.488  253.149   8.9830 -19.89554 13.80910 
1 1 1    8   23   38 o   62.811   15.416   10.290   6.5530   15.508   9.7593   6.0062   8.8429   71.866   22.564   53.756   21.011 18.10977 30.83154 
1 1 1    8   23   39 o  152.046   8.8000   65.522   7.0993   58.026   10.694   71.427   9.4925  143.591   13.783  160.501   10.945 -16.90990 17.60010 
1 1 1    8   23   40 o   81.953   14.115   19.548   6.4177   30.451   9.8511   11.508   8.4592  100.948   18.750   62.958   21.103 37.98917 28.22934 
1 1 1    8   23   41 o  152.500   8.8543   65.917   7.2032   59.715   10.734   70.997   9.7156  145.367   13.665  159.633   11.263 -14.26640 17.70865 
1 1 1    8   23   42 o   67.280   15.354   13.851   6.3307   13.209   9.7192   14.324   8.3434   66.323   22.619   68.236   20.769 -1.913406 30.70724 
1 1 1    8   23   43 o   55.526   14.629   6.3750   6.1603   13.899   9.4914   0.8988   8.0977   67.187   22.351   43.865   18.881 23.32201 29.25885 
1 1 1    8   23   44 o  121.931   15.033   41.826   7.9164   54.279   17.715   38.719   8.8491  127.546   26.566  116.315   14.079 11.23043 30.06629 
1 1 1    8   23   45 o  142.687   15.759   71.387   8.4749   51.104   19.164   76.318   9.4491  120.154   29.689  165.221   10.584 -45.06738 31.51892 
1 1 1    8   23   46 o  139.706   10.796   57.465   8.0675   64.164   11.194   50.225   11.638  149.154   13.888  130.257   16.534 18.89795 21.59286 
1 1 1    8   23   47 o  151.952   9.2232   67.061   7.3973   62.115   11.481   70.572   9.6729  146.004   14.552  157.901   11.337 -11.89713 18.44644 
1 1 1    8   23   48 o   88.764   13.930   27.421   6.6965   16.666   10.567   34.637   8.6564   69.509   23.585  108.018   14.830 -38.50837 27.86064 
1 1 1    8   23   49 o   57.665   15.548   8.4431   6.7805   14.856   10.674   4.1041   8.7796   66.920   23.652   48.411   20.188 18.50883 31.09650 
1 1 1    8   23   50 o  101.059   13.131   32.217   6.8509   30.517   10.685   33.404   8.9274   96.272   21.120  105.847   15.608 -9.575600 26.26200 
1 1 1    8   23   51 f   76.999   14.913   22.574   6.8318   14.286   10.549   28.562   8.9664   61.969   23.261   92.029   18.669 -30.06050 29.82603 
1 1 1    8   23   52 o  131.108   10.449   51.807   7.3360   56.175   11.297   48.623   9.6466  135.131   15.471  127.085   14.047 8.045593 20.89705 
1 1 1    8   23   53 o   46.138   15.201  -6.6280   8.6777 -15.8071   10.608   11.944   15.088   33.460   16.487   58.817   25.544 -25.35733 30.40248 
1 1 1    8   24    0 o  585.901   11.231  933.780   35.544  957.883   51.143  911.261   49.433  593.190   15.955  578.613   15.810 14.57654 22.46188 
1 1 1    8   24    1 o  165.708   11.124   74.290   9.9282   69.234   13.396   80.450   14.788  159.505   15.542  171.910   15.920 -12.40527 22.24836 
1 1 1    8   24    2 o  190.956   12.236   98.963   12.626   0.0000   0.0000   98.963   12.626  ?   ?   190.956   12.236      ?      ? 
1 1 1    8   24    3 o  302.406   10.133  247.853   16.558   0.0000   0.0000  247.853   16.558  ?   ?   302.406   10.133      ?      ? 
1 1 1    8   24    4 o  244.046   10.775  161.495   14.209   0.0000   0.0000  161.495   14.209  ?   ?   244.046   10.775      ?      ? 
1 1 1    8   24    7 o  328.340   9.8299  292.231   17.441   0.0000   0.0000  292.231   17.441  ?   ?   328.340   9.8299      ?      ? 
1 1 1    8   24   10 o  177.262   17.631   85.916   16.888   0.0000   0.0000   85.916   16.888  ?   ?   177.262   17.631      ?      ? 
1 1 1    8   24   11 o  118.442   14.751   38.236   9.4409   0.0000   0.0000   38.236   9.4409  ?   ?   118.442   14.751      ?      ? 
1 1 1    8   24   12 o  146.939   10.106   58.585   8.0244   0.0000   0.0000   58.585   8.0244  ?   ?   146.939   10.106      ?      ? 
1 1 1    8   24   13 o  367.082   7.0187  364.849   13.922   0.0000   0.0000  364.849   13.922  ?   ?   367.082   7.0187      ?      ? 
1 1 1    8   24   14 f  154.175   10.698   64.556   8.9124   0.0000   0.0000   64.556   8.9124  ?   ?   154.175   10.698      ?      ? 
1 1 1    8   24   15 o  342.538   6.8576  317.720   12.693   0.0000   0.0000  317.720   12.693  ?   ?   342.538   6.8576      ?      ? 
1 1 1    8   24   16 o  117.423   11.746   37.512   7.4531   0.0000   0.0000   37.512   7.4531  ?   ?   117.423   11.746      ?      ? 
1 1 1    8   24   17 o  211.793   8.3698  118.332   8.3465  129.910   16.891  114.591   9.6005  218.060   14.335  205.525   8.6445 12.53487 16.73950 
1 1 1    8   24   18 o  118.977   11.076   38.964   6.5039   38.401   11.876   39.205   7.7731  118.006   18.625  119.947   11.993 -1.941589 22.15194 
1 1 1    8   24   19 o  249.227   7.6113  167.840   8.9455  171.554   17.758  166.577   10.355  250.622   13.112  247.832   7.7326 2.790192 15.22252 
1 1 1    8   24   20 o  338.805   12.591  313.288   23.051  313.288   23.051   0.0000   0.0000  338.805   12.591  ?   ?       ?      ? 
1 1 1    8   24   21 o  107.525   13.171   32.620   7.4350   34.959   10.229   30.000   10.825  112.719   16.794  102.330   20.294 10.38929 26.34163 
1 1 1    8   24   22 o  225.471   7.5642  138.295   9.2104  142.961   13.310  134.007   12.759  229.107   10.751  221.835   10.644 7.272888 15.12838 
1 1 1    8   24   24 o  421.574   9.8197  484.090   22.370   0.0000   0.0000  484.090   22.370  ?   ?   421.574   9.8197      ?      ? 
1 1 1    8   24   25 o  232.362   7.5692  147.808   9.4719  141.226   13.777  153.708   13.044  227.325   11.215  237.399   10.168 -10.07378 15.13849 
1 1 1    8   24   26 o  261.501   9.7364  186.434   13.758   0.0000   0.0000  186.434   13.758  ?   ?   261.501   9.7364      ?      ? 
1 1 1    8   24   27 o  292.054   9.5504  232.561   15.072   0.0000   0.0000  232.561   15.072  ?   ?   292.054   9.5504      ?      ? 
1 1 1    8   24   28 o  191.840   8.0565  100.797   8.3511   99.435   11.735  102.195   11.887  190.526   11.398  193.154   11.389 -2.628113 16.11299 
1 1 1    8   24   29 o  194.029   8.1279  102.768   8.4988  111.145   12.589   95.753   11.520  201.236   11.577  186.823   11.412 14.41235 16.25578 
1 1 1    8   24   30 o  231.807   7.4046  147.942   9.2299  134.364   13.248  160.748   12.866  221.227   11.082  242.387   9.8231 -21.15985 14.80928 
1 1 1    8   24   31 o   75.673   15.772   16.811   7.2448   9.8179   10.531   23.095   9.9824   63.246   23.339   88.101   21.221 -24.85489 31.54432 
1 1 1    8   24   32 o  144.005   9.9271   58.093   7.6531   50.294   10.983   65.452   10.670  134.207   15.145  153.804   12.838 -19.59775 19.85419 
1 1 1    8   24   33 o  144.061   9.6541   58.115   7.4347   48.704   10.531   67.466   10.498  132.004   14.763  156.118   12.444 -24.11388 19.30815 
1 1 1    8   24   34 o  176.638   8.3795   86.879   7.9336   74.858   11.263   98.716   11.177  164.123   12.700  189.152   10.935 -25.02907 16.75910 
1 1 1    8   24   35 o  203.660   7.6162  114.884   8.3499  108.039   12.095  121.118   11.542  197.615   11.326  209.704   10.185 -12.08922 15.23237 
1 1 1    8   24   36 o   58.424   15.193   7.3265   6.6621   14.221   9.7944   1.3902   9.0883   69.346   22.688   47.503   20.213 21.84366 30.38581 
1 1 1    8   24   37 o   85.820   14.688   22.715   6.7390   20.568   10.020   24.489   9.1064   81.495   22.166   90.144   19.278 -8.649765 29.37646 
1 1 1    8   24   38 o  179.147   8.1002   90.454   7.7295   78.596   11.388  100.584   10.525  167.586   12.575  190.709   10.213 -23.12303 16.20044 
1 1 1    8   24   39 o   75.133   13.348   16.947   6.5729   2.5307   9.7271   29.062   8.9166   49.824   21.042  100.441   16.429 -50.61675 26.69587 
1 1 1    8   24   40 o  128.755   10.361   48.002   7.0889   41.422   10.474   53.564   9.6300  119.730   16.188  137.780   12.935 -18.04999 20.72119 
1 1 1    8   24   41 o  146.947   9.3962   62.615   7.2699   52.485   10.943   70.617   9.7266  135.112   14.988  158.783   11.336 -23.67105 18.79245 
1 1 1    8   24   42 o   44.617   13.589  -0.5055   6.3170  -7.5494   9.3905   5.3168   8.5374   38.215   17.936   51.020   20.420 -12.80523 27.17850 
1 1 1    8   24   43 o   56.934   14.926   7.4074   6.4579   14.363   9.5431   1.5314   8.7714   67.841   22.404   46.028   19.728 21.81358 29.85205 
1 1 1    8   24   44 o   70.137   15.949   15.761   6.8292   17.522   10.278   14.369   9.1380   73.098   23.182   67.177   21.911 5.920906 31.89829 
1 1 1    8   24   45 o   90.497   15.367   33.595   8.4036   3.1104   17.965   42.133   9.5079   60.632   27.035  120.363   14.619 -59.73097 30.73412 
1 1 1    8   24   46 o   77.488   16.623   20.901   7.5857   19.540   10.834   22.209   10.624   74.874   23.807   80.102   23.205 -5.227425 33.24519 
1 1 1    8   24   47 o   82.639   16.162   23.425   7.5730   18.909   10.639   28.063   10.782   73.939   23.600   91.338   22.088 -17.39948 32.32373 
1 1 1    8   24   48 o  110.251   12.900   38.545   7.2512   29.842   10.681   45.985   9.8759   95.361   21.269  125.142   14.604 -29.78143 25.80008 
1 1 1    8   24   49 o   37.436   12.483  -8.2120   6.5756  -0.4718   9.9519 -14.2095   8.7602   43.915   19.807   30.956   15.200 12.95889 24.96686 
1 1 1    8   24   50 o  110.677   27.429   50.338   16.321   0.0000   0.0000   50.338   16.321  ?   ?   110.677   27.429      ?      ? 
1 1 1    8   24   51 o   47.701   15.558  -3.2261   9.9578   6.1712   12.669 -18.4167   16.107   53.344   23.283   42.058   20.642 11.28581 31.11635 
1 1 1    8   24   52 o   59.832   18.266   13.071   10.564   8.2140   13.561   20.565   16.845   53.795   23.763   65.868   27.748 -12.07290 36.53249 
1 1 1    8   25    0 o  699.833   11.176  1332.30   39.705  1351.35   69.422  1323.03   48.403  702.305   18.293  697.360   12.845 4.944580 22.35218 
1 1 1    8   25    1 o  246.181   7.7957  164.163   10.370   0.0000   0.0000  164.163   10.370  ?   ?   246.181   7.7957      ?      ? 
1 1 1    8   25    2 o  457.393   8.8820  567.140   21.953   0.0000   0.0000  567.140   21.953  ?   ?   457.393   8.8820      ?      ? 
1 1 1    8   25    3 o  164.528   9.8110   73.439   8.7225   0.0000   0.0000   73.439   8.7225  ?   ?   164.528   9.8110      ?      ? 
1 1 1    8   25    4 o  185.124   8.9703   92.918   8.9734   0.0000   0.0000   92.918   8.9734  ?   ?   185.124   8.9703      ?      ? 
1 1 1    8   25    5 o  269.917   8.1372  197.417   11.868   0.0000   0.0000  197.417   11.868  ?   ?   269.917   8.1372      ?      ? 
1 1 1    8   25    6 o  157.153   10.035   67.029   8.5220   0.0000   0.0000   67.029   8.5220  ?   ?   157.153   10.035      ?      ? 
1 1 1    8   25    8 o  121.553   15.883   40.393   10.432   0.0000   0.0000   40.393   10.432  ?   ?   121.553   15.883      ?      ? 
1 1 1    8   25    9 o  329.743   12.019  295.833   21.415   0.0000   0.0000  295.833   21.415  ?   ?   329.743   12.019      ?      ? 
1 1 1    8   25   10 o  148.644   10.157   60.008   8.1585   0.0000   0.0000   60.008   8.1585  ?   ?   148.644   10.157      ?      ? 
1 1 1    8   25   11 o  127.477   11.523   44.215   7.9372   0.0000   0.0000   44.215   7.9372  ?   ?   127.477   11.523      ?      ? 
1 1 1    8   25   12 o  251.971   7.4728  172.077   10.175   0.0000   0.0000  172.077   10.175  ?   ?   251.971   7.4728      ?      ? 
1 1 1    8   25   13 o  132.620   11.234   47.881   8.0508   0.0000   0.0000   47.881   8.0508  ?   ?   132.620   11.234      ?      ? 
1 1 1    8   25   14 o  167.317   12.540   76.386   11.338   0.0000   0.0000   76.386   11.338  ?   ?   167.317   12.540      ?      ? 
1 1 1    8   25   15 o  249.107   8.9010  168.513   11.982   0.0000   0.0000  168.513   11.982  ?   ?   249.107   8.9010      ?      ? 
1 1 1    8   25   16 o  131.337   10.696   46.947   7.5913   0.0000   0.0000   46.947   7.5913  ?   ?   131.337   10.696      ?      ? 
1 1 1    8   25   17 o  156.940   9.4228   66.935   7.9910   0.0000   0.0000   66.935   7.9910  ?   ?   156.940   9.4228      ?      ? 
1 1 1    8   25   18 o  205.952   7.8338  113.926   7.7678  119.257   15.014  111.978   9.0771  208.807   13.307  203.097   8.2709 5.710602 15.66766 
1 1 1    8   25   19 o  237.161   7.8747  152.447   8.6600  155.225   17.605  151.561   9.9466  238.017   13.688  236.305   7.7895 1.711639 15.74940 
1 1 1    8   25   20 o  217.968   8.0015  127.683   8.8397  135.563   15.672  124.006   10.705  222.452   13.037  213.484   9.2799 8.968948 16.00291 
1 1 1    8   25   21 o   88.164   15.552   22.721   7.3813   22.670   10.240   22.776   10.650   88.104   21.661   88.223   22.322 -0.1190720 31.10363 
1 1 1    8   25   22 o  142.096   10.619   55.754   8.1352   51.302   11.459   60.278   11.552  136.262   15.562  147.929   14.451 -11.66612 21.23720 
1 1 1    8   25   23 f  153.700   9.6071   64.980   7.9772   66.485   11.270   63.469   11.293  155.519   13.410  151.881   13.760 3.637512 19.21414 
1 1 1    8   25   24 o  210.588   7.9721  121.584   9.0488  117.550   13.137  125.226   12.482  207.147   11.736  214.030   10.793 -6.883514 15.94411 
1 1 1    8   25   25 o  304.614   7.0068  253.464   11.507  251.460   16.813  255.230   15.783  303.368   10.256  305.861   9.5496 -2.492950 14.01365 
1 1 1    8   25   26 o   88.416   14.470   22.631   7.1881   32.913   10.306   12.891   10.031  108.415   17.592   68.417   22.980 39.99817 28.94030 
1 1 1    8   25   27 o  175.707   8.6093   84.566   8.0458   65.753   10.945  106.688   11.868  154.283   13.128  197.131   11.142 -42.84734 17.21861 
1 1 1    8   25   28 o  126.386   11.239   44.657   7.6742   44.906   10.776   44.401   10.932  126.788   15.729  125.984   16.058 0.8032913 22.47756 
1 1 1    8   25   29 f  187.728   8.2052   97.196   8.3059   94.567   12.042   99.582   11.471  185.168   12.035  190.288   11.156 -5.119690 16.41050 
1 1 1    8   25   30 o  183.001   11.647   92.357   11.518   0.0000   0.0000   92.357   11.518  ?   ?   183.001   11.647      ?      ? 
1 1 1    8   25   31 o  211.337   7.5195  123.143   8.5681  113.848   12.118  132.435   12.116  203.199   11.037  219.476   10.216 -16.27687 15.03909 
1 1 1    8   25   32 o  132.393   10.301   49.126   7.3575   45.349   10.212   53.203   10.610  127.002   14.880  137.784   14.251 -10.78131 20.60295 
1 1 1    8   25   33 o  188.904   7.8880   98.543   8.0454  103.089   11.656   94.408   11.118  193.050   11.174  184.757   11.137 8.293030 15.77599 
1 1 1    8   25   34 o   74.750   15.731   17.011   6.9734   12.736   9.9526   21.133   9.7736   66.532   22.884   82.967   21.592 -16.43542 31.46213 
1 1 1    8   25   35 o   54.928   15.475   5.8754   6.8989   7.3684   10.120   4.5790   9.4299   57.546   22.480   52.310   21.274 5.236225 30.95054 
1 1 1    8   25   36 o   82.936   15.381   21.388   7.0244   18.427   10.045   24.221   9.8265   77.055   22.633   88.817   20.835 -11.76210 30.76270 
1 1 1    8   25   37 o  161.787   8.8790   73.747   7.7185   70.634   11.380   76.398   10.504  158.238   13.309  165.336   11.757 -7.098053 17.75807 
1 1 1    8   25   38 o  125.958   10.574   45.594   7.1649   42.038   10.307   48.919   9.9671  120.778   15.793  131.138   14.065 -10.36037 21.14811 
1 1 1    8   25   39 o   67.107   15.210   12.884   6.7121   21.097   9.8126   5.6627   9.2015   81.457   21.844   52.757   21.170 28.70008 30.41913 
1 1 1    8   25   40 o  125.951   10.876   46.950   7.1875   36.839   10.547   55.718   9.8215  111.782   17.460  140.120   12.971 -28.33860 21.75135 
1 1 1    8   25   41 o  129.757   10.400   48.827   7.2233   44.541   10.620   52.516   9.8533  123.756   15.881  135.758   13.432 -12.00229 20.79947 
1 1 1    8   25   42 o   80.429   14.914   20.415   6.8289   29.255   10.096   12.960   9.2716   96.354   20.043   64.504   22.091 31.85008 29.82869 
1 1 1    8   25   43 o  111.475   12.638   38.750   7.1538   29.278   10.501   46.952   9.7718   95.598   20.911  127.352   14.200 -31.75450 25.27633 
1 1 1    8   25   44 o  104.613   13.240   33.413   7.1835   46.157   11.021   24.000   9.4722  123.818   16.472   85.408   20.733 38.40948 26.47968 
1 1 1    8   25   45 o   91.218   17.226   32.080   8.5912   20.739   18.816   35.067   9.6565   74.824   30.185  107.612   16.606 -32.78757 34.45171 
1 1 1    8   25   46 o   88.635   18.477   27.910   8.8355   28.468   17.708   27.724   10.195   85.245   30.429   92.025   20.970 -6.779755 36.95490 
1 1 1    8   25   47 o   44.552   20.062  -0.8402   10.162  -0.8402   10.162   0.0000   0.0000   44.552   20.062  ?   ?       ?      ? 
1 1 1    8   25   48 o   51.374   16.763   0.7151   10.286  -5.0473   12.789   11.275   17.312   43.436   20.553   59.312   26.486 -15.87605 33.52522 
1 1 1    8   25   49 o  221.464   10.853  149.710   12.902  143.694   17.165  157.523   19.560  217.645   14.595  225.283   16.067 -7.637680 21.70666 
1 1 1    8   25   50 o   58.493   17.348   12.036   9.8168   18.108   12.660   2.8784   15.547   65.586   25.276   51.400   23.769 14.18665 34.69630 
1 1 1    8   26    0 o  139.898   9.8374   51.735   7.1957   60.248   12.121   47.102   8.9419  148.357   15.119  131.439   12.590 16.91864 19.67481 
1 1 1    8   26    1 o   78.406   18.545   17.602   7.7342   0.0000   0.0000   17.602   7.7342  ?   ?    78.406   18.545      ?      ? 
1 1 1    8   26    2 o  131.717   12.303   47.292   8.7568   0.0000   0.0000   47.292   8.7568  ?   ?   131.717   12.303      ?      ? 
1 1 1    8   26    3 o  378.551   9.0937  389.084   18.602   0.0000   0.0000  389.084   18.602  ?   ?   378.551   9.0937      ?      ? 
1 1 1    8   26    4 o  194.039   8.9007  102.216   9.3325   0.0000   0.0000  102.216   9.3325  ?   ?   194.039   8.9007      ?      ? 
1 1 1    8   26    5 o  139.187   11.158   52.746   8.3918   0.0000   0.0000   52.746   8.3918  ?   ?   139.187   11.158      ?      ? 
1 1 1    8   26    6 o  158.961   14.835   69.217   12.743   0.0000   0.0000   69.217   12.743  ?   ?   158.961   14.835      ?      ? 
1 1 1    8   26    7 o  146.198   13.757   58.446   10.868   0.0000   0.0000   58.446   10.868  ?   ?   146.198   13.757      ?      ? 
1 1 1    8   26    8 o  207.647   8.3142  117.012   9.3290   0.0000   0.0000  117.012   9.3290  ?   ?   207.647   8.3142      ?      ? 
1 1 1    8   26    9 o  171.651   9.1761   80.036   8.5112   0.0000   0.0000   80.036   8.5112  ?   ?   171.651   9.1761      ?      ? 
1 1 1    8   26   10 o  171.624   9.1379   80.009   8.4744   0.0000   0.0000   80.009   8.4744  ?   ?   171.624   9.1379      ?      ? 
1 1 1    8   26   11 o  164.525   9.5720   73.574   8.5099   0.0000   0.0000   73.574   8.5099  ?   ?   164.525   9.5720      ?      ? 
1 1 1    8   26   12 o  296.225   8.8391  238.339   14.149   0.0000   0.0000  238.339   14.149  ?   ?   296.225   8.8391      ?      ? 
1 1 1    8   26   13 o  342.685   11.503  320.281   21.300   0.0000   0.0000  320.281   21.300  ?   ?   342.685   11.503      ?      ? 
1 1 1    8   26   14 f  168.566   9.0485   77.246   8.2420   0.0000   0.0000   77.246   8.2420  ?   ?   168.566   9.0485      ?      ? 
1 1 1    8   26   15 o   62.354   20.055   10.636   7.6720   0.0000   0.0000   10.636   7.6720  ?   ?    62.354   20.055      ?      ? 
1 1 1    8   26   16 o  320.594   11.750  280.986   20.356   0.0000   0.0000  280.986   20.356  ?   ?   320.594   11.750      ?      ? 
1 1 1    8   26   17 o  311.508   8.6064  263.938   14.487   0.0000   0.0000  263.938   14.487  ?   ?   311.508   8.6064      ?      ? 
1 1 1    8   26   18 o  108.124   12.395   32.043   7.2421   0.0000   0.0000   32.043   7.2421  ?   ?   108.124   12.395      ?      ? 
1 1 1    8   26   19 o  257.155   7.4634  179.727   9.8192  183.311   16.926  177.909   12.055  258.643   12.111  255.666   8.7259 2.976578 14.92674 
1 1 1    8   26   20 o  340.650   7.6341  315.824   13.272  321.396   22.978  313.034   16.259  342.256   12.424  339.044   8.8745 3.212036 15.26818 
1 1 1    8   26   21 o  166.803   8.4877   72.768   6.8758   84.505   13.401   68.574   8.0106  175.018   14.170  158.588   9.3478 16.43044 16.97545 
1 1 1    8   26   22 o  320.218   6.9471  278.095   11.974  248.462   16.227  313.523   17.743  301.573   9.9576  338.863   9.6898 -37.28992 13.89410 
1 1 1    8   26   23 o  128.218   11.715   45.603   8.0865   51.169   11.989   40.958   10.953  135.391   16.387  121.045   16.746 14.34605 23.42982 
1 1 1    8   26   24 o  181.902   8.7491   90.585   8.5383   76.573   11.607  107.105   12.604  166.521   12.900  197.282   11.823 -30.76086 17.49813 
1 1 1    8   26   25 o  209.715   7.9508  120.841   9.0063  116.041   12.591  125.869   12.887  205.422   11.343  214.009   11.144 -8.587158 15.90163 
1 1 1    8   26   26 o   64.591   16.422   10.728   7.3638   8.4572   10.533   12.899   10.298   60.992   23.165   68.189   23.283 -7.196297 32.84339 
1 1 1    8   26   27 o  143.759   10.334   57.656   8.0078   63.064   11.451   52.481   11.203  150.519   14.079  136.999   15.133 13.52080 20.66891 
1 1 1    8   26   28 o  147.485   13.983   60.684   11.144   0.0000   0.0000   60.684   11.144  ?   ?   147.485   13.983      ?      ? 
1 1 1    8   26   29 o  143.303   10.504   58.231   7.9558   44.319   11.142   72.702   11.364  125.031   16.492  161.575   13.015 -36.54472 21.00885 
1 1 1    8   26   30 o   66.250   16.310   12.312   7.1565   12.310   10.319   12.313   9.9334   66.400   23.275   66.100   22.854 0.2998657 32.61948 
1 1 1    8   26   31 o   67.236   15.054   11.837   6.9889   1.6171   9.8735   22.100   9.8941   49.466   21.059   85.006   21.519 -35.54041 30.10900 
1 1 1    8   26   32 o   77.164   15.653   18.400   6.8746   19.437   9.3703   17.192   10.117   79.512   21.356   74.816   22.890 4.696442 31.30525 
1 1 1    8   26   33 o   81.555   15.612   20.601   7.0942   17.667   9.9764   23.602   10.090   75.653   22.640   87.457   21.502 -11.80399 31.22322 
1 1 1    8   26   34 o   61.080   16.051   9.8345   7.0632   9.4162   10.360   10.198   9.6546   60.809   23.003   61.350   22.392 -0.5409546 32.10174 
1 1 1    8   26   35 o  250.926   9.5367  174.082   12.931   0.0000   0.0000  174.082   12.931  ?   ?   250.926   9.5367      ?      ? 
1 1 1    8   26   36 o  115.525   11.548   38.598   7.2013   40.837   10.469   36.586   9.9214  118.704   16.321  112.346   16.343 6.358170 23.09682 
1 1 1    8   26   37 o   72.519   14.620   15.880   6.9784   3.7389   10.069   27.103   9.6807   51.448   21.551   93.590   19.762 -42.14236 29.23986 
1 1 1    8   26   38 o   84.541   15.128   22.933   7.0783   16.785   10.135   28.789   9.8900   72.571   23.021   96.512   19.632 -23.94069 30.25502 
1 1 1    8   26   39 o  183.683   8.3170   95.850   8.1481   79.490   11.596  111.804   11.451  167.357   12.823  200.009   10.595 -32.65173 16.63405 
1 1 1    8   26   40 o  102.883   13.990   34.509   7.4410   21.952   10.960   45.245   10.134   81.138   23.588  124.629   15.048 -43.49174 27.97934 
1 1 1    8   26   41 o   34.094   16.628 -15.2639   9.9686 -15.2639   9.9686   0.0000   0.0000   34.094   16.628  ?   ?       ?      ? 
1 1 1    8   26   42 o   94.756   17.090   25.704   8.7811   14.109   10.474   53.131   16.109   65.551   23.402  123.961   24.913 -58.40989 34.18044 
1 1 1    8   26   43 o   48.955   15.806  -1.4646   8.7890  -1.8702   10.738  -0.6412   15.299   44.916   20.386   52.994   24.160 -8.078415 31.61172 
1 1 1    8   26   44 o   65.795   18.850   11.851   10.089   8.1351   12.621   18.428   16.792   58.604   24.302   72.986   28.822 -14.38211 37.70040 
1 1 1    8   26   45 o   64.279   18.366   12.403   10.239   17.520   13.347   5.0856   15.960   70.418   26.218   58.140   25.726 12.27786 36.73143 
1 1 1    8   26   46 o   55.561   25.409   6.1059   17.086   0.0000   0.0000   6.1059   17.086  ?   ?    55.561   25.409      ?      ? 
1 1 1    8   26   47 o   60.096   17.905   11.152   10.208   15.331   12.870   4.0631   16.761   64.594   25.319   55.598   25.325 8.996426 35.81072 
1 1 1    8   26   48 o  158.111   11.964   80.964   10.129   70.721   14.369   91.081   14.280  146.103   18.200  170.120   15.535 -24.01730 23.92812 
1 1 1    8   27    0 o  106.688   19.965   32.553   11.087   0.0000   0.0000   32.553   11.087  ?   ?   106.688   19.965      ?      ? 
1 1 1    8   27    1 o  242.728   11.274  160.603   14.788   0.0000   0.0000  160.603   14.788  ?   ?   242.728   11.274      ?      ? 
1 1 1    8   27    2 o  124.732   16.826   42.879   11.341   0.0000   0.0000   42.879   11.341  ?   ?   124.732   16.826      ?      ? 
1 1 1    8   27    4 o  173.591   10.495   82.073   9.8446   0.0000   0.0000   82.073   9.8446  ?   ?   173.591   10.495      ?      ? 
1 1 1    8   27    6 o   85.652   22.312   21.327   10.430   0.0000   0.0000   21.327   10.430  ?   ?    85.652   22.312      ?      ? 
1 1 1    8   27    7 o  132.243   11.700   47.761   8.3604   0.0000   0.0000   47.761   8.3604  ?   ?   132.243   11.700      ?      ? 
1 1 1    8   27    8 o  284.263   13.260  221.466   20.368   0.0000   0.0000  221.466   20.368  ?   ?   284.263   13.260      ?      ? 
1 1 1    8   27    9 o  270.110   13.698  200.267   19.993   0.0000   0.0000  200.267   19.993  ?   ?   270.110   13.698      ?      ? 
1 1 1    8   27   10 o  220.647   8.0390  132.287   9.5849   0.0000   0.0000  132.287   9.5849  ?   ?   220.647   8.0390      ?      ? 
1 1 1    8   27   11 o  217.284   8.0573  128.314   9.4604   0.0000   0.0000  128.314   9.4604  ?   ?   217.284   8.0573      ?      ? 
1 1 1    8   27   12 o  263.374   7.9288  188.516   11.284   0.0000   0.0000  188.516   11.284  ?   ?   263.374   7.9288      ?      ? 
1 1 1    8   27   13 o  137.240   10.940   51.469   8.1132   0.0000   0.0000   51.469   8.1132  ?   ?   137.240   10.940      ?      ? 
1 1 1    8   27   14 o  155.254   9.9465   65.752   8.3445   0.0000   0.0000   65.752   8.3445  ?   ?   155.254   9.9465      ?      ? 
1 1 1    8   27   15 o  120.542   11.781   39.805   7.6740   0.0000   0.0000   39.805   7.6740  ?   ?   120.542   11.781      ?      ? 
1 1 1    8   27   16 o  189.585   8.5917   97.852   8.8018   0.0000   0.0000   97.852   8.8018  ?   ?   189.585   8.5917      ?      ? 
1 1 1    8   27   17 o   77.273   17.817   17.316   7.2873   0.0000   0.0000   17.316   7.2873  ?   ?    77.273   17.817      ?      ? 
1 1 1    8   27   18 o  119.953   11.499   39.470   7.4532   0.0000   0.0000   39.470   7.4532  ?   ?   119.953   11.499      ?      ? 
1 1 1    8   27   19 o   38.516   16.946  -1.4604   6.8306   0.0000   0.0000  -1.4604   6.8306  ?   ?    38.516   16.946      ?      ? 
1 1 1    8   27   20 o  145.099   9.9007   56.161   6.9150   63.311   13.569   53.653   8.0369  150.324   16.704  139.874   10.633 10.44925 19.80145 
1 1 1    8   27   21 o  263.397   7.5574  188.731   10.017  194.977   17.878  185.872   12.094  265.820   12.446  260.973   8.5757 4.848022 15.11473 
1 1 1    8   27   22 o  101.355   12.590   27.572   6.2082   34.505   11.651   24.824   7.3364  108.236   20.675   94.474   14.371 13.76172 25.17907 
1 1 1    8   27   23 o  120.201   12.469   41.265   7.6842   30.018   10.491   54.284   11.287  100.958   19.937  139.444   14.979 -38.48648 24.93739 
1 1 1    8   27   24 f  144.409   10.568   58.155   8.2339   62.174   12.022   54.603   11.300  149.102   14.922  139.715   14.968 9.387436 21.13501 
1 1 1    8   27   25 o  296.225   7.0811  240.132   11.292  212.805   15.474  271.269   16.517  278.129   10.296  314.322   9.7245 -36.19290 14.16217 
1 1 1    8   27   26 o   57.780   15.778   6.7892   7.2608   11.337   9.8835   1.4571   10.702   64.385   22.760   51.175   21.859 13.20930 31.55652 
1 1 1    8   27   27 o  150.450   14.381   63.542   11.692   0.0000   0.0000   63.542   11.692  ?   ?   150.450   14.381      ?      ? 
1 1 1    8   27   28 o   42.515   13.738  -5.0406   7.0411  -3.6764   9.4846  -6.7157   10.509   42.664   19.281   42.365   19.574 0.2985153 27.47519 
1 1 1    8   27   29 o   53.682   15.233   3.1683   7.1164  -3.4455   9.5977   11.245   10.606   43.028   19.425   64.335   23.471 -21.30733 30.46667 
1 1 1    8   27   30 o   49.136   14.807   1.7113   6.9116   1.7897   9.5895   1.6265   9.9707   48.846   20.773   49.427   21.105 -0.5807304 29.61335 
1 1 1    8   27   31 o   97.071   14.420   28.687   7.3164   29.553   10.634   27.908   10.082   98.356   20.666   95.787   20.118 2.568733 28.84092 
1 1 1    8   27   32 o  155.911   9.5370   68.652   8.0339   70.083   11.434   67.256   11.291  157.544   13.431  154.278   13.544 3.266525 19.07398 
1 1 1    8   27   33 o   77.773   14.539   17.810   7.0977   5.2426   9.7809   31.790   10.316   53.326   21.674  102.221   19.385 -48.89454 29.07821 
1 1 1    8   27   34 o   40.877   13.319  -6.8924   6.9842  -0.5508   10.027 -12.8679   9.7335   46.405   20.470   35.350   17.047 11.05449 26.63847 
1 1 1    8   27   35 o   97.601   14.172   29.655   7.2224   32.446   10.141   26.781   10.289  103.064   18.906   92.139   21.117 10.92502 28.34315 
1 1 1    8   27   36 o   64.629   16.525   11.261   8.4195   19.560   10.743  -1.9559   13.556   77.719   23.546   51.539   23.193 26.18010 33.05081 
1 1 1    8   27   37 o  151.675   19.428   69.662   15.923   0.0000   0.0000   69.662   15.923  ?   ?   151.675   19.428      ?      ? 
1 1 1    8   27   38 f  139.117   14.423   58.414   10.706   49.527   13.920   71.284   16.751  126.517   20.362  151.716   20.432 -25.19904 28.84583 
1 1 1    8   27   39 o   59.876   17.497   8.2102   9.1583   10.025   11.603   5.2117   14.915   60.879   23.985   58.873   25.483 2.005524 34.99482 
1 1 1    8   27   40 o   64.969   17.129   12.752   9.0729   21.543   11.802   0.0511   14.186   77.792   24.859   52.146   23.572 25.64608 34.25801 
1 1 1    8   27   41 f   56.360   17.105   5.8885   9.3847   8.1847   12.307   2.6982   14.507   57.931   24.008   54.789   24.371 3.141872 34.21053 
1 1 1    8   27   42 o  104.741   18.683   40.187   10.693   45.315   14.148   33.356   16.329  116.136   23.354   93.345   29.167 22.79111 37.36524 
1 1 1    8   27   43 o   83.721   18.821   22.730   10.265   9.7770   13.025   43.964   16.677   60.079   24.782  107.362   28.333 -47.28285 37.64205 
1 1 1    8   27   44 o   77.193   15.995   23.911   8.1345   11.088   12.441   33.487   10.751   57.529   24.015   96.857   21.135 -39.32837 31.99057 
1 1 1    8   27   45 o   71.563   16.320   18.896   7.3123   15.027   10.309   22.814   10.374   64.413   23.194   78.712   22.967 -14.29849 32.64067 
1 1 1    8   27   46 o   45.820   20.281   2.6148   9.9265   0.0000   0.0000   2.6148   9.9265  ?   ?    45.820   20.281      ?      ? 
1 1 1    8   28    0 o   68.237   19.285   13.387   7.4265   0.0000   0.0000   13.387   7.4265  ?   ?    68.237   19.285      ?      ? 
1 1 1    8   28    1 o  226.526   8.8631  139.680   10.849   0.0000   0.0000  139.680   10.849  ?   ?   226.526   8.8631      ?      ? 
1 1 1    8   28    2 o  311.581   9.1837  264.416   15.462   0.0000   0.0000  264.416   15.462  ?   ?   311.581   9.1837      ?      ? 
1 1 1    8   28    3 o  188.899   9.4221   97.232   9.6176   0.0000   0.0000   97.232   9.6176  ?   ?   188.899   9.4221      ?      ? 
1 1 1    8   28    4 o   97.711   22.979   28.114   11.929   0.0000   0.0000   28.114   11.929  ?   ?    97.711   22.979      ?      ? 
1 1 1    8   28    5 o  217.689   11.953  129.821   14.060   0.0000   0.0000  129.821   14.060  ?   ?   217.689   11.953      ?      ? 
1 1 1    8   28    6 o   79.018   24.350   18.002   11.425   0.0000   0.0000   18.002   11.425  ?   ?    79.018   24.350      ?      ? 
1 1 1    8   28    7 o   99.676   22.365   29.193   11.750   0.0000   0.0000   29.193   11.750  ?   ?    99.676   22.365      ?      ? 
1 1 1    8   28    8 o   93.950   23.464   26.117   11.876   0.0000   0.0000   26.117   11.876  ?   ?    93.950   23.464      ?      ? 
1 1 1    8   28    9 o  258.953   11.189  183.526   15.656   0.0000   0.0000  183.526   15.656  ?   ?   258.953   11.189      ?      ? 
1 1 1    8   28   10 o  135.754   16.575   51.247   12.159   0.0000   0.0000   51.247   12.159  ?   ?   135.754   16.575      ?      ? 
1 1 1    8   28   11 o   94.580   23.035   26.528   11.664   0.0000   0.0000   26.528   11.664  ?   ?    94.580   23.035      ?      ? 
1 1 1    8   28   13 o   63.718   24.803   8.3149   12.285   0.0000   0.0000   8.3149   12.285  ?   ?    63.718   24.803      ?      ? 
1 1 1    8   28   14 o   90.525   23.689   24.582   11.722   0.0000   0.0000   24.582   11.722  ?   ?    90.525   23.689      ?      ? 
1 1 1    8   28   15 o  118.500   19.054   39.774   12.201   0.0000   0.0000   39.774   12.201  ?   ?   118.500   19.054      ?      ? 
1 1 1    8   28   16 o  183.190   9.9463   91.898   9.8458   0.0000   0.0000   91.898   9.8458  ?   ?   183.190   9.9463      ?      ? 
1 1 1    8   28   17 o  136.062   11.875   51.009   8.7307   0.0000   0.0000   51.009   8.7307  ?   ?   136.062   11.875      ?      ? 
1 1 1    8   28   18 o  179.820   9.7184   88.560   9.4433   0.0000   0.0000   88.560   9.4433  ?   ?   179.820   9.7184      ?      ? 
1 1 1    8   28   19 o  216.029   8.6869  127.522   10.141   0.0000   0.0000  127.522   10.141  ?   ?   216.029   8.6869      ?      ? 
1 1 1    8   28   20 o  133.205   12.655   49.162   9.1088   0.0000   0.0000   49.162   9.1088  ?   ?   133.205   12.655      ?      ? 
1 1 1    8   28   21 o   75.379   15.834   17.163   6.8045   15.527   11.413   18.065   8.4754   73.055   24.513   77.703   20.051 -4.647163 31.66884 
1 1 1    8   28   22 o  115.447   11.998   37.322   7.3126   40.586   11.846   35.313   9.2948  118.947   18.431  111.948   15.365 6.998947 23.99537 
1 1 1    8   28   23 o   55.126   15.092   4.6476   6.0945   12.198   11.055   1.3506   7.3049   66.864   24.024   43.387   18.275 23.47701 30.18451 
1 1 1    8   28   24 o  173.194   16.352   85.248   15.304   0.0000   0.0000   85.248   15.304  ?   ?   173.194   16.352      ?      ? 
1 1 1    8   28   25 o   96.394   17.008   28.056   8.7403   22.873   11.238   35.991   13.905   85.659   23.548  107.129   24.546 -21.46996 34.01535 
1 1 1    8   28   26 o  161.182   11.225   72.342   9.5558   66.270   12.099   82.410   15.579  153.044   14.630  169.319   17.028 -16.27467 22.44941 
1 1 1    8   28   27 o  163.143   11.059   75.181   9.5540   72.543   12.262   79.257   15.242  160.299   14.156  165.986   16.993 -5.687515 22.11700 
1 1 1    8   28   28 o   64.577   17.682   10.070   9.0514   14.462   11.926   4.1014   13.902   70.257   24.983   58.898   25.029 11.35857 35.36387 
1 1 1    8   28   29 o   84.894   17.826   23.813   8.8726   26.914   11.227   18.653   14.481   92.411   22.657   77.377   27.528 15.03399 35.65289 
1 1 1    8   28   30 o   72.714   17.793   14.662   8.5037   9.0450   10.770   23.964   13.858   60.261   23.288   85.168   26.908 -24.90716 35.58627 
1 1 1    8   28   31 o   88.136   17.306   26.270   8.8359   31.779   11.457   18.182   13.881  100.560   21.719   75.712   26.950 24.84772 34.61254 
1 1 1    8   28   32 o   94.498   17.844   29.088   9.3035   23.649   12.362   36.194   14.128   84.441   25.187  104.555   25.284 -20.11379 35.68822 
1 1 1    8   28   33 o   83.518   17.701   23.713   8.7907   27.230   11.159   17.959   14.272   92.032   22.602   75.005   27.248 17.02653 35.40216 
1 1 1    8   28   34 o   59.004   15.237   5.3561   8.4221   19.372   10.400 -21.3491   14.356   77.327   23.110   40.680   19.865 36.64695 30.47435 
1 1 1    8   28   35 o   45.141   14.906  -7.0789   8.5174  -8.7050   10.611  -4.1329   14.282   39.901   18.832   50.381   23.110 -10.48032 29.81100 
1 1 1    8   28   36 o   70.690   18.744   15.788   9.5160   14.761   12.197   17.385   15.213   68.366   25.135   73.014   27.813 -4.648277 37.48759 
1 1 1    8   28   37 o   47.434   15.242  -3.0015   8.7382   2.6847   10.837 -13.5721   14.775   50.307   21.748   44.560   21.363 5.746868 30.48482 
1 1 1    8   28   38 o   46.178   14.764  -4.8319   8.0858   6.7613   12.415 -13.3717   10.656   56.140   23.745   36.215   17.554 19.92524 29.52898 
1 1 1    8   28   39 o   38.690   13.018 -10.4228   7.5600  -4.7644   10.667 -16.1336   10.716   42.412   19.639   34.967   17.094 7.444820 26.03668 
1 1 1    8   28   41 o   58.968   16.028   10.541   7.2653   7.5758   10.125   13.689   10.431   54.210   22.045   63.727   23.272 -9.517334 32.05582 
1 1 1    8   28   42 o  100.099   14.678   35.624   7.8283   27.430   11.006   44.015   11.137   84.407   23.345  115.791   17.799 -31.38371 29.35654 
1 1 1    8   28   43 o   53.713   15.646   7.5963   7.4285   4.3031   10.448   10.963   10.564   49.342   21.342   58.085   22.885 -8.743122 31.29268 
1 1 1    8   28   44 o   52.880   16.739   6.0400   9.1655   2.6712   18.563   7.1261   10.540   54.206   25.369   51.554   21.845 2.651428 33.47866 
1 1 1    8   29    0 o  409.745   8.8323  457.946   19.556   0.0000   0.0000  457.946   19.556  ?   ?   409.745   8.8323      ?      ? 
1 1 1    8   29    1 o  290.838   8.7663  230.703   13.777   0.0000   0.0000  230.703   13.777  ?   ?   290.838   8.7663      ?      ? 
1 1 1    8   29    2 o  112.257   13.561   34.825   8.2258   0.0000   0.0000   34.825   8.2258  ?   ?   112.257   13.561      ?      ? 
1 1 1    8   29    3 o  118.697   18.458   39.697   11.839   0.0000   0.0000   39.697   11.839  ?   ?   118.697   18.458      ?      ? 
1 1 1    8   29    4 o   57.342   22.517   6.2529   10.195   0.0000   0.0000   6.2529   10.195  ?   ?    57.342   22.517      ?      ? 
1 1 1    8   29    5 o   64.651   20.097   11.925   7.7633   0.0000   0.0000   11.925   7.7633  ?   ?    64.651   20.097      ?      ? 
1 1 1    8   29    6 o  146.229   10.650   58.637   8.4154   0.0000   0.0000   58.637   8.4154  ?   ?   146.229   10.650      ?      ? 
1 1 1    8   29    7 o  290.474   8.0885  229.964   12.696   0.0000   0.0000  229.964   12.696  ?   ?   290.474   8.0885      ?      ? 
1 1 1    8   29    8 o  293.456   8.8727  235.160   14.070   0.0000   0.0000  235.160   14.070  ?   ?   293.456   8.8727      ?      ? 
1 1 1    8   29    9 o  173.114   10.086   82.104   9.4354   0.0000   0.0000   82.104   9.4354  ?   ?   173.114   10.086      ?      ? 
1 1 1    8   29   10 o  172.434   9.4264   81.333   8.7833   0.0000   0.0000   81.333   8.7833  ?   ?   172.434   9.4264      ?      ? 
1 1 1    8   29   11 f  138.082   11.117   52.422   8.2946   0.0000   0.0000   52.422   8.2946  ?   ?   138.082   11.117      ?      ? 
1 1 1    8   29   12 o  220.794   8.7179  133.170   10.401   0.0000   0.0000  133.170   10.401  ?   ?   220.794   8.7179      ?      ? 
1 1 1    8   29   13 o  171.987   9.4766   80.990   8.8072   0.0000   0.0000   80.990   8.8072  ?   ?   171.987   9.4766      ?      ? 
1 1 1    8   29   14 o   73.235   19.650   15.887   7.9381   0.0000   0.0000   15.887   7.9381  ?   ?    73.235   19.650      ?      ? 
1 1 1    8   29   15 o   82.935   23.197   20.850   10.803   0.0000   0.0000   20.850   10.803  ?   ?    82.935   23.197      ?      ? 
1 1 1    8   29   16 o   91.011   22.468   25.187   10.983   0.0000   0.0000   25.187   10.983  ?   ?    91.011   22.468      ?      ? 
1 1 1    8   29   18 o   92.426   23.827   26.412   11.976   0.0000   0.0000   26.412   11.976  ?   ?    92.426   23.827      ?      ? 
1 1 1    8   29   19 o  104.441   22.608   33.303   12.389   0.0000   0.0000   33.303   12.389  ?   ?   104.441   22.608      ?      ? 
1 1 1    8   29   20 o   57.812   23.844   5.0987   12.056   0.0000   0.0000   5.0987   12.056  ?   ?    57.812   23.844      ?      ? 
1 1 1    8   29   21 o   70.265   17.220   10.126   8.5960   0.3331   10.894   26.284   13.993   49.950   21.699   90.581   26.744 -40.63052 34.43960 
1 1 1    8   29   22 o   63.074   17.552   8.5970   8.6192   6.1892   11.048   12.342   13.779   57.270   23.120   68.878   26.414 -11.60804 35.10301 
1 1 1    8   29   23 o  121.828   14.476   43.232   9.2286   37.027   11.990   52.252   14.456  110.458   20.852  133.197   20.085 -22.73931 28.95158 
1 1 1    8   29   24 o   62.602   16.236   4.7771   8.4246  -8.5023   11.236   21.827   12.732   42.379   19.803   82.825   25.735 -40.44523 32.47207 
1 1 1    8   29   25 o  211.385   10.060  126.490   11.432  125.000   15.374  128.333   17.096  210.475   13.518  212.294   14.903 -1.818909 20.12012 
1 1 1    8   29   26 o   51.753   15.601   2.4684   7.6874   3.5608   10.471   1.1911   11.322   52.367   21.958   51.139   22.169 1.227798 31.20276 
1 1 1    8   29   27 o  115.054   18.734   39.144   11.647   39.144   11.647   0.0000   0.0000  115.054   18.734  ?   ?       ?      ? 
1 1 1    8   29   28 o  134.683   12.762   53.608   8.7319   72.770   12.942   37.597   11.830  159.088   15.055  110.278   20.610 48.80996 25.52306 
1 1 1    8   29   29 f  117.396   14.262   42.632   8.5592   57.883   12.364   28.597   11.861  140.954   16.233   93.837   23.455 47.11700 28.52467 
1 1 1    8   29   30 o   40.761   13.464  -8.2242   7.4153 -12.8791   10.344  -3.3029   10.636   36.743   17.682   44.780   20.310 -8.037045 26.92895 
1 1 1    8   29   31 o  122.531   17.039   44.152   11.282   0.0000   0.0000   44.152   11.282  ?   ?   122.531   17.039      ?      ? 
1 1 1    8   29   32 o   54.407   22.437   5.7299   10.675   0.0000   0.0000   5.7299   10.675  ?   ?    54.407   22.437      ?      ? 
1 1 1    8   29   33 o  119.431   13.315   44.518   7.9785   60.821   11.419   28.967   11.152  144.710   14.603   94.152   22.269 50.55790 26.63022 
1 1 1    8   29   34 o   76.109   16.470   19.313   7.3759   18.525   9.8995   20.297   11.059   74.755   22.594   77.462   23.970 -2.706161 32.94007 
1 1 1    8   29   35 o   49.633   15.073   2.2487   7.4343  -2.7651   10.195   7.9420   10.864   43.098   19.677   56.168   22.837 -13.07059 30.14539 
1 1 1    8   29   36 o   78.600   16.393   21.229   7.4108   19.285   9.9367   23.666   11.125   74.980   22.630   82.221   23.724 -7.240837 32.78652 
1 1 1    8   29   37 o   83.036   16.193   23.153   7.7202   16.360   10.535   31.034   11.347   69.656   23.549   96.417   22.233 -26.76038 32.38627 
1 1 1    8   29   38 o   77.715   17.098   21.078   7.9923   23.760   11.367   18.456   11.240   82.483   24.033   72.948   24.326 9.535370 34.19561 
1 1 1    8   29   39 o   70.923   16.488   18.563   7.4594   14.284   10.410   23.079   10.694   63.138   23.219   78.709   23.415 -15.57170 32.97552 
1 1 1    8   29   40 o  178.041   9.0670   94.892   8.6999   86.778   12.194  103.305   12.416  169.625   13.304  186.458   12.323 -16.83310 18.13404 
1 1 1    8   29   41 o   48.452   16.101  -5.8962   11.277 -23.5360   19.087   3.5631   13.977   44.312   21.887   52.592   23.619 -8.280155 32.20105 
1 1 1    8   29   42 o   50.386   16.703  -3.3454   11.273   12.881   17.766 -14.2815   14.585   60.044   26.820   40.728   19.917 19.31614 33.40696 
1 1 1    8   30    0 o   73.623   19.019   16.007   7.6201   0.0000   0.0000   16.007   7.6201  ?   ?    73.623   19.019      ?      ? 
1 1 1    8   30    1 o  171.362   9.7801   80.488   9.0562   0.0000   0.0000   80.488   9.0562  ?   ?   171.362   9.7801      ?      ? 
1 1 1    8   30    2 o  159.388   14.444   70.821   12.440   0.0000   0.0000   70.821   12.440  ?   ?   159.388   14.444      ?      ? 
1 1 1    8   30    3 o  164.328   14.552   75.336   12.922   0.0000   0.0000   75.336   12.922  ?   ?   164.328   14.552      ?      ? 
1 1 1    8   30    4 o  162.960   10.395   72.955   9.1538   0.0000   0.0000   72.955   9.1538  ?   ?   162.960   10.395      ?      ? 
1 1 1    8   30    5 o  110.526   13.917   34.017   8.3119   0.0000   0.0000   34.017   8.3119  ?   ?   110.526   13.917      ?      ? 
1 1 1    8   30    6 o  236.323   8.5651  152.680   10.938   0.0000   0.0000  152.680   10.938  ?   ?   236.323   8.5651      ?      ? 
1 1 1    8   30    7 f  119.178   12.763   39.411   8.2194   0.0000   0.0000   39.411   8.2194  ?   ?   119.178   12.763      ?      ? 
1 1 1    8   30    8 o  184.702   9.7406   93.663   9.7217   0.0000   0.0000   93.663   9.7217  ?   ?   184.702   9.7406      ?      ? 
1 1 1    8   30    9 o  280.692   8.9685  215.878   13.603   0.0000   0.0000  215.878   13.603  ?   ?   280.692   8.9685      ?      ? 
1 1 1    8   30   10 o  146.168   10.528   58.879   8.3151   0.0000   0.0000   58.879   8.3151  ?   ?   146.168   10.528      ?      ? 
1 1 1    8   30   11 o  133.479   11.500   49.309   8.2946   0.0000   0.0000   49.309   8.2946  ?   ?   133.479   11.500      ?      ? 
1 1 1    8   30   12 o  117.028   12.536   38.085   7.9274   0.0000   0.0000   38.085   7.9274  ?   ?   117.028   12.536      ?      ? 
1 1 1    8   30   13 o  109.936   12.997   33.697   7.7212   0.0000   0.0000   33.697   7.7212  ?   ?   109.936   12.997      ?      ? 
1 1 1    8   30   14 o   89.985   30.220   25.813   17.347   0.0000   0.0000   25.813   17.347  ?   ?    89.985   30.220      ?      ? 
1 1 1    8   30   15 o  144.701   10.445   57.821   8.1671   0.0000   0.0000   57.821   8.1671  ?   ?   144.701   10.445      ?      ? 
1 1 1    8   30   16 o   96.669   14.187   26.328   7.4108   0.0000   0.0000   26.328   7.4108  ?   ?    96.669   14.187      ?      ? 
1 1 1    8   30   17 o  139.697   10.400   53.981   7.8507   0.0000   0.0000   53.981   7.8507  ?   ?   139.697   10.400      ?      ? 
1 1 1    8   30   18 o   56.083   19.240   8.7393   7.0331   0.0000   0.0000   8.7393   7.0331  ?   ?    56.083   19.240      ?      ? 
1 1 1    8   30   19 f   69.968   18.660   14.766   7.1847   0.0000   0.0000   14.766   7.1847  ?   ?    69.968   18.660      ?      ? 
1 1 1    8   30   20 o  119.983   11.699   40.139   7.5849   0.0000   0.0000   40.139   7.5849  ?   ?   119.983   11.699      ?      ? 
1 1 1    8   30   21 o  102.811   13.586   29.856   7.5477   0.0000   0.0000   29.856   7.5477  ?   ?   102.811   13.586      ?      ? 
1 1 1    8   30   22 o  122.593   10.339   44.345   6.4040   37.860   10.674   47.992   8.0046  114.049   17.320  131.137   11.296 -17.08843 20.67814 
1 1 1    8   30   23 o   84.257   14.077   23.753   6.4057   14.041   11.107   28.594   7.8411   68.421   24.134  100.092   14.497 -31.67136 28.15330 
1 1 1    8   30   24 o  148.515   9.3201   58.811   6.9750   73.018   12.861   52.891   8.3019  159.497   14.922  137.532   11.171 21.96512 18.64022 
1 1 1    8   30   25 f   50.367   14.646   3.9790   6.0593   6.2613   10.635   2.8822   7.3729   55.668   22.610   45.065   18.622 10.60244 29.29171 
1 1 1    8   30   26 o   61.231   16.321   10.151   7.5016   13.092   10.060   6.4662   11.259   65.729   22.984   56.733   23.178 8.995831 32.64176 
1 1 1    8   30   27 o   82.225   16.642   21.959   7.7608   21.066   10.653   22.968   11.329   80.634   23.202   83.817   23.865 -3.182976 33.28448 
1 1 1    8   30   28 o   79.352   17.029   20.585   8.0282   16.783   11.167   24.653   11.550   72.258   24.247   86.445   23.917 -14.18758 34.05804 
1 1 1    8   30   29 o  163.003   10.065   76.719   8.8485   83.050   12.683   70.714   12.351  169.857   13.818  156.150   14.638 13.70697 20.12955 
1 1 1    8   30   30 o   57.436   15.592   7.4967   7.5002   14.855   9.9763  -2.0684   11.374   68.024   22.917   46.847   21.148 21.17654 31.18402 
1 1 1    8   30   31 f   62.301   16.459   11.612   7.4565   12.196   10.351   10.981   10.751   63.146   23.164   61.456   23.388 1.690243 32.91748 
1 1 1    8   30   32 o   67.087   16.660   15.054   7.4465   14.401   9.9854   15.872   11.177   65.833   22.905   68.340   24.198 -2.506508 33.31982 
1 1 1    8   30   33 o   45.868   14.455   0.0968   7.2257   1.1368   9.5528  -1.2940   11.047   45.764   20.090   45.972   20.789 -0.2083130 28.90996 
1 1 1    8   30   34 o  160.276   15.202   76.069   13.166   0.0000   0.0000   76.069   13.166  ?   ?   160.276   15.202      ?      ? 
1 1 1    8   30   35 o  105.117   14.891   35.703   8.1382   32.396   10.961   39.766   12.149   99.626   21.021  110.608   21.097 -10.98239 29.78164 
1 1 1    8   30   36 o   64.741   15.903   11.156   7.6362   0.6739   9.9947   25.856   11.836   45.501   20.235   83.981   24.540 -38.48070 31.80629 
1 1 1    8   30   37 o   75.262   16.870   25.407   10.245  -3.2523   19.285   36.677   12.093   51.584   24.642   98.941   23.047 -47.35695 33.74025 
1 1 1    8   30   38 o   51.600   17.012  -2.0112   11.874 -11.0315   18.347   4.4910   15.577   48.395   23.355   54.804   24.743 -6.408981 34.02485 
1 1 1    8   30   39 o   47.394   15.874  -8.7335   11.777 -36.4414   20.577   4.7635   14.362   41.635   20.899   53.152   23.900 -11.51688 31.74872 
1 1 1    8   30   40 o   74.488   20.770   29.234   12.405   27.928   20.216   30.023   15.711   70.994   30.176   77.982   28.549 -6.988182 41.54080 
1 1 1    8   31    0 o  163.947   9.9207   73.991   8.7889   0.0000   0.0000   73.991   8.7889  ?   ?   163.947   9.9207      ?      ? 
1 1 1    8   31    2 o  110.245   19.782   36.146   11.352   0.0000   0.0000   36.146   11.352  ?   ?   110.245   19.782      ?      ? 
1 1 1    8   31    3 o   64.080   19.899   12.054   7.6138   0.0000   0.0000   12.054   7.6138  ?   ?    64.080   19.899      ?      ? 
1 1 1    8   31    4 o   46.335   18.906   3.0422   7.4788   0.0000   0.0000   3.0422   7.4788  ?   ?    46.335   18.906      ?      ? 
1 1 1    8   31    5 o   56.711   20.088   8.5762   7.7030   0.0000   0.0000   8.5762   7.7030  ?   ?    56.711   20.088      ?      ? 
1 1 1    8   31    6 o  157.221   10.569   68.304   8.9790   0.0000   0.0000   68.304   8.9790  ?   ?   157.221   10.569      ?      ? 
1 1 1    8   31    7 f   92.825   15.282   24.415   7.6653   0.0000   0.0000   24.415   7.6653  ?   ?    92.825   15.282      ?      ? 
1 1 1    8   31    8 o   31.771   15.146  -8.6071   7.2077   0.0000   0.0000  -8.6071   7.2077  ?   ?    31.771   15.146      ?      ? 
1 1 1    8   31    9 o  111.946   12.980   35.101   7.8518   0.0000   0.0000   35.101   7.8518  ?   ?   111.946   12.980      ?      ? 
1 1 1    8   31   10 o   84.021   17.081   20.918   7.4907   0.0000   0.0000   20.918   7.4907  ?   ?    84.021   17.081      ?      ? 
1 1 1    8   31   11 o   34.556   15.989  -5.0012   7.0515   0.0000   0.0000  -5.0012   7.0515  ?   ?    34.556   15.989      ?      ? 
1 1 1    8   31   12 o  146.069   10.517   59.074   8.3012   0.0000   0.0000   59.074   8.3012  ?   ?   146.069   10.517      ?      ? 
1 1 1    8   31   13 o  107.660   13.704   32.651   7.9726   0.0000   0.0000   32.651   7.9726  ?   ?   107.660   13.704      ?      ? 
1 1 1    8   31   14 o  209.205   10.852  121.485   12.268   0.0000   0.0000  121.485   12.268  ?   ?   209.205   10.852      ?      ? 
1 1 1    8   31   15 o  163.850   8.9975   73.952   7.9663   0.0000   0.0000   73.952   7.9663  ?   ?   163.850   8.9975      ?      ? 
1 1 1    8   31   16 f  170.054   9.8353   80.023   9.0377   0.0000   0.0000   80.023   9.0377  ?   ?   170.054   9.8353      ?      ? 
1 1 1    8   31   17 o   63.895   19.595   12.334   7.4090   0.0000   0.0000   12.334   7.4090  ?   ?    63.895   19.595      ?      ? 
1 1 1    8   31   18 o  136.631   10.910   52.042   8.0552   0.0000   0.0000   52.042   8.0552  ?   ?   136.631   10.910      ?      ? 
1 1 1    8   31   19 o   92.640   14.993   24.629   7.5056   0.0000   0.0000   24.629   7.5056  ?   ?    92.640   14.993      ?      ? 
1 1 1    8   31   20 o  121.011   11.616   41.099   7.5958   0.0000   0.0000   41.099   7.5958  ?   ?   121.011   11.616      ?      ? 
1 1 1    8   31   21 o   45.268   18.426   3.4035   7.0824   0.0000   0.0000   3.4035   7.0824  ?   ?    45.268   18.426      ?      ? 
1 1 1    8   31   22 o   37.389   16.816  -2.2319   7.1144   0.0000   0.0000  -2.2319   7.1144  ?   ?    37.389   16.816      ?      ? 
1 1 1    8   31   23 o   42.938   12.950  -1.0216   5.9882 -13.9797   10.111   5.9796   7.4319   35.501   17.182   50.374   19.380 -14.87332 25.89953 
1 1 1    8   31   24 o  109.967   12.353   34.580   6.6047   40.383   12.179   32.163   7.8609  113.881   20.548  106.053   13.717 7.828003 24.70572 
1 1 1    8   31   25 o   49.226   14.457   4.1010   6.1689  -0.1467   11.261   5.9222   7.3736   48.634   21.560   49.819   19.265 -1.184383 28.91338 
1 1 1    8   31   26 o   62.712   15.131   12.500   6.2870   6.8243   11.331   15.025   7.5569   56.498   23.187   68.927   19.445 -12.42906 30.26105 
1 1 1    8   31   27 o   81.246   15.956   22.297   7.5439   27.936   10.177   15.421   11.239   93.430   20.703   69.063   24.285 24.36672 31.91211 
1 1 1    8   31   28 o  103.644   15.309   34.975   8.2988   29.742   11.353   40.978   12.161   94.341   22.573  112.947   20.688 -18.60640 30.61885 
1 1 1    8   31   29 o   81.809   13.998   21.779   7.7071   39.505   10.732   2.9047   11.075  113.417   17.512   50.201   21.843 63.21560 27.99630 
1 1 1    8   31   30 o   59.707   16.311   10.265   7.4472   7.8192   9.9146   13.431   11.281   55.022   22.011   64.391   24.078 -9.368942 32.62268 
1 1 1    8   31   31 o   42.021   13.790 -14.5762   8.0484 -30.4883   10.778   5.4845   12.101   29.142   14.692   54.901   23.342 -25.75915 27.58089 
1 1 1    8   31   32 o  106.247   14.563   39.127   8.4991   63.225   11.913   14.152   12.129  146.291   15.071   66.203   24.924 80.08804 29.12630 
1 1 1    8   31   33 o   51.964   16.408  -1.7546   10.683 -28.5135   18.866   10.875   12.961   43.300   21.454   60.629   24.830 -17.32891 32.81528 
1 1 1    8   31   34 o   57.807   18.235   7.1197   12.710 -11.9978   20.322   19.403   16.290   48.763   23.773   66.850   27.656 -18.08609 36.46964 
1 1 1    8   31   35 o   56.645   18.487   3.1935   13.066   10.885   19.913  -2.6216   17.314   61.893   27.957   51.396   24.195 10.49697 36.97329 
1 1 1    8   31   36 o   63.502   19.601   11.733   12.914   24.077   19.338   1.7968   17.350   72.778   30.123   54.226   25.088 18.55170 39.20146 
1 1 1    8   31   37 o   66.184   18.479   18.791   9.5726   17.822   12.013   20.477   15.845   65.505   24.772   66.862   27.427 -1.356186 36.95798 
1 1 1    8   32    1 o   58.682   23.481   7.1075   11.285   0.0000   0.0000   7.1075   11.285  ?   ?    58.682   23.481      ?      ? 
1 1 1    8   32    2 o   84.869   17.835   21.550   7.9193   0.0000   0.0000   21.550   7.9193  ?   ?    84.869   17.835      ?      ? 
1 1 1    8   32    3 o   32.935   15.589  -7.6854   7.3664   0.0000   0.0000  -7.6854   7.3664  ?   ?    32.935   15.589      ?      ? 
1 1 1    8   32    4 o  101.262   14.370   29.062   7.8629   0.0000   0.0000   29.062   7.8629  ?   ?   101.262   14.370      ?      ? 
1 1 1    8   32    5 o   89.189   16.826   23.562   7.8121   0.0000   0.0000   23.562   7.8121  ?   ?    89.189   16.826      ?      ? 
1 1 1    8   32    6 o   37.779   17.113  -3.1536   7.5226   0.0000   0.0000  -3.1536   7.5226  ?   ?    37.779   17.113      ?      ? 
1 1 1    8   32    7 o   42.535   18.336   0.4503   7.6591   0.0000   0.0000   0.4503   7.6591  ?   ?    42.535   18.336      ?      ? 
1 1 1    8   32    8 o   63.780   19.483   12.256   7.3331   0.0000   0.0000   12.256   7.3331  ?   ?    63.780   19.483      ?      ? 
1 1 1    8   32    9 o   37.836   17.088  -2.8242   7.4371   0.0000   0.0000  -2.8242   7.4371  ?   ?    37.836   17.088      ?      ? 
1 1 1    8   32   10 o  180.312   9.5690   89.955   9.3235   0.0000   0.0000   89.955   9.3235  ?   ?   180.312   9.5690      ?      ? 
1 1 1    8   32   11 o   34.344   15.932  -5.0478   7.0670   0.0000   0.0000  -5.0478   7.0670  ?   ?    34.344   15.932      ?      ? 
1 1 1    8   32   12 o   76.268   18.731   17.830   7.6633   0.0000   0.0000   17.830   7.6633  ?   ?    76.268   18.731      ?      ? 
1 1 1    8   32   13 o   46.465   18.964   3.4916   7.5275   0.0000   0.0000   3.4916   7.5275  ?   ?    46.465   18.964      ?      ? 
1 1 1    8   32   14 o  139.350   10.506   54.131   7.9110   0.0000   0.0000   54.131   7.9110  ?   ?   139.350   10.506      ?      ? 
1 1 1    8   32   15 o  111.629   12.946   35.334   7.8091   0.0000   0.0000   35.334   7.8091  ?   ?   111.629   12.946      ?      ? 
1 1 1    8   32   16 o   65.118   19.336   13.067   7.2979   0.0000   0.0000   13.067   7.2979  ?   ?    65.118   19.336      ?      ? 
1 1 1    8   32   17 o   63.731   19.691   12.457   7.4657   0.0000   0.0000   12.457   7.4657  ?   ?    63.731   19.691      ?      ? 
1 1 1    8   32   18 o   92.102   15.149   24.486   7.5393   0.0000   0.0000   24.486   7.5393  ?   ?    92.102   15.149      ?      ? 
1 1 1    8   32   19 o   76.410   18.864   18.108   7.7421   0.0000   0.0000   18.108   7.7421  ?   ?    76.410   18.864      ?      ? 
1 1 1    8   32   20 o   68.465   19.420   14.698   7.5165   0.0000   0.0000   14.698   7.5165  ?   ?    68.465   19.420      ?      ? 
1 1 1    8   32   21 o   31.025   15.450 -23.1527   10.282   0.0000   0.0000 -23.1527   10.282  ?   ?    31.025   15.450      ?      ? 
1 1 1    8   32   22 o   32.003   15.243  -7.8586   7.2640   0.0000   0.0000  -7.8586   7.2640  ?   ?    32.003   15.243      ?      ? 
1 1 1    8   32   23 o   63.897   19.456   12.841   7.3211   0.0000   0.0000   12.841   7.3211  ?   ?    63.897   19.456      ?      ? 
1 1 1    8   32   24 o   41.319   13.345  -4.9933   6.1244   3.3716   11.006  -8.7454   7.3711   51.216   22.029   31.421   15.070 19.79430 26.69066 
1 1 1    8   32   25 o  112.512   12.724   39.425   6.8031   39.099   12.392   39.565   8.1393  108.238   21.939  116.786   12.898 -8.548271 25.44897 
1 1 1    8   32   26 o   71.972   15.072   18.508   6.5871   10.811   11.682   22.095   7.9759   60.638   24.010   83.307   18.225 -22.66943 30.14364 
1 1 1    8   32   27 o   51.633   15.185   5.4236   6.8714  -1.8462   13.435   7.9989   7.9964   49.729   22.660   53.538   20.219 -3.809605 30.36907 
1 1 1    8   32   28 o  144.552   16.107   62.415   12.581   0.0000   0.0000   62.415   12.581  ?   ?   144.552   16.107      ?      ? 
1 1 1    8   32   29 o   40.870   14.387 -35.8015   12.917 -62.3649   21.206 -20.1306   16.288   38.363   19.482   43.377   21.177 -5.013248 28.77491 
1 1 1    8   32   30 o   68.299   18.412   8.0995   13.539 -42.5225   22.110   38.468   17.125   42.652   21.444   93.947   29.937 -51.29485 36.82488 
1 1 1    8   32   31 o   57.035   18.644   6.0751   13.933  -5.2770   22.142   13.516   17.926   52.821   25.531   61.250   27.175 -8.428532 37.28736 
1 1 1    8   32   32 o   62.766   19.580   11.852   13.398   2.6329   20.483   18.745   17.712   57.344   26.776   68.188   28.574 -10.84439 39.15928 
1 1 1    8   32   33 o   55.252   17.150   4.9095   8.9891   0.2399   10.684   16.225   16.632   45.192   20.440   65.312   27.545 -20.12068 34.30056 
1 1 1    8   32   34 o   67.377   16.927   17.854   7.8605   12.726   10.522   24.329   11.824   58.525   22.907   76.229   24.928 -17.70353 33.85403 
1 1 1    8   33    0 o   52.166   22.126   3.2203   10.829   0.0000   0.0000   3.2203   10.829  ?   ?    52.166   22.126      ?      ? 
1 1 1    8   33    1 o   75.408   19.087   17.581   7.7846   0.0000   0.0000   17.581   7.7846  ?   ?    75.408   19.087      ?      ? 
1 1 1    8   33    2 o   42.619   18.370   0.6946   7.6850   0.0000   0.0000   0.6946   7.6850  ?   ?    42.619   18.370      ?      ? 
1 1 1    8   33    3 o   65.863   19.876   13.376   7.6653   0.0000   0.0000   13.376   7.6653  ?   ?    65.863   19.876      ?      ? 
1 1 1    8   33    4 o   31.212   15.061 -10.5462   7.6260   0.0000   0.0000 -10.5462   7.6260  ?   ?    31.212   15.061      ?      ? 
1 1 1    8   33    5 o  133.903   11.312   50.279   8.1848   0.0000   0.0000   50.279   8.1848  ?   ?   133.903   11.312      ?      ? 
1 1 1    8   33    6 o  109.458   13.446   34.114   7.9531   0.0000   0.0000   34.114   7.9531  ?   ?   109.458   13.446      ?      ? 
1 1 1    8   33    7 o   45.205   18.682   2.9311   7.4225   0.0000   0.0000   2.9311   7.4225  ?   ?    45.205   18.682      ?      ? 
1 1 1    8   33    8 o  119.496   12.810   40.474   8.2716   0.0000   0.0000   40.474   8.2716  ?   ?   119.496   12.810      ?      ? 
1 1 1    8   33    9 o   61.657   19.546   11.544   7.3077   0.0000   0.0000   11.544   7.3077  ?   ?    61.657   19.546      ?      ? 
1 1 1    8   33   10 o   54.718   19.799   8.1972   7.5244   0.0000   0.0000   8.1972   7.5244  ?   ?    54.718   19.799      ?      ? 
1 1 1    8   33   11 o   42.619   18.153   1.3194   7.3436   0.0000   0.0000   1.3194   7.3436  ?   ?    42.619   18.153      ?      ? 
1 1 1    8   33   12 o   64.441   19.904   12.810   7.6290   0.0000   0.0000   12.810   7.6290  ?   ?    64.441   19.904      ?      ? 
1 1 1    8   33   13 o   30.101   14.553 -10.2606   7.2047   0.0000   0.0000 -10.2606   7.2047  ?   ?    30.101   14.553      ?      ? 
1 1 1    8   33   14 o  108.221   13.145   33.467   7.6871   0.0000   0.0000   33.467   7.6871  ?   ?   108.221   13.145      ?      ? 
1 1 1    8   33   15 o   45.749   18.776   3.5013   7.4309   0.0000   0.0000   3.5013   7.4309  ?   ?    45.749   18.776      ?      ? 
1 1 1    8   33   16 o  107.339   13.456   33.110   7.8048   0.0000   0.0000   33.110   7.8048  ?   ?   107.339   13.456      ?      ? 
1 1 1    8   33   17 o  108.716   13.309   33.928   7.8186   0.0000   0.0000   33.928   7.8186  ?   ?   108.716   13.309      ?      ? 
1 1 1    8   33   18 o  126.939   11.788   45.743   8.0860   0.0000   0.0000   45.743   8.0860  ?   ?   126.939   11.788      ?      ? 
1 1 1    8   33   19 o  103.208   14.228   31.094   7.9350   0.0000   0.0000   31.094   7.9350  ?   ?   103.208   14.228      ?      ? 
1 1 1    8   33   20 o   72.195   19.194   16.921   7.6170   0.0000   0.0000   16.921   7.6170  ?   ?    72.195   19.194      ?      ? 
1 1 1    8   33   21 o   68.806   19.533   15.510   7.6009   0.0000   0.0000   15.510   7.6009  ?   ?    68.806   19.533      ?      ? 
1 1 1    8   33   22 o   60.476   20.061   11.671   7.6481   0.0000   0.0000   11.671   7.6481  ?   ?    60.476   20.061      ?      ? 
1 1 1    8   33   23 f   33.473   16.326 -14.3511   9.6157   0.0000   0.0000 -14.3511   9.6157  ?   ?    33.473   16.326      ?      ? 
1 1 1    8   33   24 o   78.169   22.418   20.609   9.9604   0.0000   0.0000   20.609   9.9604  ?   ?    78.169   22.418      ?      ? 
1 1 1    8   33   25 o  159.978   12.943   74.159   11.189   0.0000   0.0000   74.159   11.189  ?   ?   159.978   12.943      ?      ? 
1 1 1    8   33   26 o   46.880   20.439   2.6413   9.7381   0.0000   0.0000   2.6413   9.7381  ?   ?    46.880   20.439      ?      ? 
1 1 1    8   33   28 o   44.202   14.282  -0.4983   7.4078  -1.6428   12.318   0.1501   9.2717   45.787   21.168   42.618   19.180 3.169441 28.56432 
1 1 1    8   33   29 o   68.347   16.010   14.894   8.2021   29.820   11.808   0.9792   11.401   89.486   23.948   47.208   21.255 42.27821 32.01987 
1 1 1    8   33   30 o   45.382   14.377   1.1462   7.4102   4.8557   10.142  -3.1017   10.853   48.697   21.046   42.067   19.592 6.630379 28.75333 
1 1 1    8   33   31 o   53.448   15.456   7.3369   7.4680  -0.3101   9.9661   17.129   11.278   42.325   19.374   64.571   24.088 -22.24556 30.91241 
1 1 1    8   34    0 o   58.616   20.411   10.203   7.9299   0.0000   0.0000   10.203   7.9299  ?   ?    58.616   20.411      ?      ? 
1 1 1    8   34    1 o   48.467   19.461   4.7535   7.7819   0.0000   0.0000   4.7535   7.7819  ?   ?    48.467   19.461      ?      ? 
1 1 1    8   34    2 o  109.446   13.957   34.509   8.2541   0.0000   0.0000   34.509   8.2541  ?   ?   109.446   13.957      ?      ? 
1 1 1    8   34    3 o   70.514   19.955   15.776   7.9455   0.0000   0.0000   15.776   7.9455  ?   ?    70.514   19.955      ?      ? 
1 1 1    8   34    4 o   75.542   19.815   18.124   8.1888   0.0000   0.0000   18.124   8.1888  ?   ?    75.542   19.815      ?      ? 
1 1 1    8   34    5 o  156.395   10.574   68.659   8.9363   0.0000   0.0000   68.659   8.9363  ?   ?   156.395   10.574      ?      ? 
1 1 1    8   34    6 o   32.953   15.627  -7.4412   7.4724   0.0000   0.0000  -7.4412   7.4724  ?   ?    32.953   15.627      ?      ? 
1 1 1    8   34    7 o   81.455   18.689   20.758   8.0516   0.0000   0.0000   20.758   8.0516  ?   ?    81.455   18.689      ?      ? 
1 1 1    8   34    8 o   52.911   19.859   7.4508   7.6882   0.0000   0.0000   7.4508   7.6882  ?   ?    52.911   19.859      ?      ? 
1 1 1    8   34    9 o   45.240   18.913   2.8248   7.7329   0.0000   0.0000   2.8248   7.7329  ?   ?    45.240   18.913      ?      ? 
1 1 1    8   34   10 o   53.773   19.925   7.9591   7.6909   0.0000   0.0000   7.9591   7.6909  ?   ?    53.773   19.925      ?      ? 
1 1 1    8   34   11 o   30.465   14.775 -10.9752   7.5751   0.0000   0.0000 -10.9752   7.5751  ?   ?    30.465   14.775      ?      ? 
1 1 1    8   34   12 o   41.438   18.112   0.3750   7.6893   0.0000   0.0000   0.3750   7.6893  ?   ?    41.438   18.112      ?      ? 
1 1 1    8   34   13 o   60.846   19.996   11.816   7.6051   0.0000   0.0000   11.816   7.6051  ?   ?    60.846   19.996      ?      ? 
1 1 1    8   34   14 o   48.524   19.478   5.3762   7.7924   0.0000   0.0000   5.3762   7.7924  ?   ?    48.524   19.478      ?      ? 
1 1 1    8   34   15 o   61.995   20.312   12.490   7.8495   0.0000   0.0000   12.490   7.8495  ?   ?    61.995   20.312      ?      ? 
1 1 1    8   34   16 o   55.692   20.850   9.0643   8.4649   0.0000   0.0000   9.0643   8.4649  ?   ?    55.692   20.850      ?      ? 
1 1 1    8   34   17 o  100.955   19.747   32.694   10.386   0.0000   0.0000   32.694   10.386  ?   ?   100.955   19.747      ?      ? 
1 1 1    8   34   18 o   46.754   20.091   2.3361   9.1400   0.0000   0.0000   2.3361   9.1400  ?   ?    46.754   20.091      ?      ? 
1 1 1    8   34   19 o  122.094   16.125   44.540   10.638   0.0000   0.0000   44.540   10.638  ?   ?   122.094   16.125      ?      ? 
1 1 1    8   34   20 o   46.598   20.384   1.4185   9.7589   0.0000   0.0000   1.4185   9.7589  ?   ?    46.598   20.384      ?      ? 
1 1 1    8   34   21 o   32.063   15.762 -15.7504   9.5070   0.0000   0.0000 -15.7504   9.5070  ?   ?    32.063   15.762      ?      ? 
1 1 1    8   34   22 o   36.941   17.540  -6.7251   9.4698   0.0000   0.0000  -6.7251   9.4698  ?   ?    36.941   17.540      ?      ? 
1 1 1    8   34   23 o   45.543   19.076   4.6819   7.8874   0.0000   0.0000   4.6819   7.8874  ?   ?    45.543   19.076      ?      ? 
1 1 1    8   34   24 o   49.158   19.542   6.6291   7.7671   0.0000   0.0000   6.6291   7.7671  ?   ?    49.158   19.542      ?      ? 
1 1 1    8   34   25 o   63.906   20.100   14.086   7.7400   0.0000   0.0000   14.086   7.7400  ?   ?    63.906   20.100      ?      ? 
1 1 1    8   34   26 o   52.279   15.149   7.5883   6.3977   10.304   11.593   6.3992   7.6715   56.424   23.336   48.135   19.325 8.288960 30.29871 
1 1 1    8   34   27 o   51.309   15.466   2.7860   6.7361   19.432   13.565  -2.6626   7.7606   66.482   26.012   36.136   16.740 30.34570 30.93271 
1 1 1    8   35    0 o   41.982   18.367   0.6866   7.9252   0.0000   0.0000   0.6866   7.9252  ?   ?    41.982   18.367      ?      ? 
1 1 1    8   35    1 o   54.562   20.188   8.7839   7.8894   0.0000   0.0000   8.7839   7.8894  ?   ?    54.562   20.188      ?      ? 
1 1 1    8   35    2 o  140.484   11.525   56.510   8.7490   0.0000   0.0000   56.510   8.7490  ?   ?   140.484   11.525      ?      ? 
1 1 1    8   35    3 o   44.042   18.739   2.4180   7.8103   0.0000   0.0000   2.4180   7.8103  ?   ?    44.042   18.739      ?      ? 
1 1 1    8   35    4 o   72.230   20.523   17.350   8.3870   0.0000   0.0000   17.350   8.3870  ?   ?    72.230   20.523      ?      ? 
1 1 1    8   35    5 o   82.492   19.647   22.178   8.6323   0.0000   0.0000   22.178   8.6323  ?   ?    82.492   19.647      ?      ? 
1 1 1    8   35    6 o  156.672   11.673   70.252   9.8821   0.0000   0.0000   70.252   9.8821  ?   ?   156.672   11.673      ?      ? 
1 1 1    8   35    7 o   40.033   18.250  -2.7794   8.7290   0.0000   0.0000  -2.7794   8.7290  ?   ?    40.033   18.250      ?      ? 
1 1 1    8   35    8 o   70.389   24.244   16.962   11.173   0.0000   0.0000   16.962   11.173  ?   ?    70.389   24.244      ?      ? 
1 1 1    8   35    9 o   35.940   17.406 -13.2974   10.421   0.0000   0.0000 -13.2974   10.421  ?   ?    35.940   17.406      ?      ? 
1 1 1    8   35   10 f   99.559   20.809   32.254   10.834   0.0000   0.0000   32.254   10.834  ?   ?    99.559   20.809      ?      ? 
1 1 1    8   35   11 o   69.686   23.913   16.362   10.865   0.0000   0.0000   16.362   10.865  ?   ?    69.686   23.913      ?      ? 
1 1 1    8   35   12 o   54.218   22.499   6.1841   10.829   0.0000   0.0000   6.1841   10.829  ?   ?    54.218   22.499      ?      ? 
1 1 1    8   35   13 o  114.831   17.900   40.458   11.107   0.0000   0.0000   40.458   11.107  ?   ?   114.831   17.900      ?      ? 
1 1 1    8   35   14 o  119.792   17.434   44.157   11.285   0.0000   0.0000   44.157   11.285  ?   ?   119.792   17.434      ?      ? 
1 1 1    8   35   15 o   48.482   21.030   3.3344   10.203   0.0000   0.0000   3.3344   10.203  ?   ?    48.482   21.030      ?      ? 
1 1 1    8   35   16 o   35.888   16.994  -6.1929   8.7756   0.0000   0.0000  -6.1929   8.7756  ?   ?    35.888   16.994      ?      ? 
1 1 1    8   35   17 o   41.530   18.235   1.7244   7.8740   0.0000   0.0000   1.7244   7.8740  ?   ?    41.530   18.235      ?      ? 
1 1 1    8   35   18 o   45.431   18.982   4.5198   7.7825   0.0000   0.0000   4.5198   7.7825  ?   ?    45.431   18.982      ?      ? 
1 1 1    8   35   19 o  106.102   14.885   34.345   8.5339   0.0000   0.0000   34.345   8.5339  ?   ?   106.102   14.885      ?      ? 
1 1 1    8   35   20 o   64.378   20.541   14.425   8.0603   0.0000   0.0000   14.425   8.0603  ?   ?    64.378   20.541      ?      ? 
1 1 1    8   35   21 o   54.148   20.157   9.6785   7.8887   0.0000   0.0000   9.6785   7.8887  ?   ?    54.148   20.157      ?      ? 
1 1 1    8   35   22 o   56.214   20.279   11.182   7.8853   0.0000   0.0000   11.182   7.8853  ?   ?    56.214   20.279      ?      ? 
1 1 1    8   35   23 o   39.601   17.660   0.8246   7.6695   0.0000   0.0000   0.8246   7.6695  ?   ?    39.601   17.660      ?      ? 
1 1 1    8   36    0 o   42.194   19.811  -6.1880   11.477   0.0000   0.0000  -6.1880   11.477  ?   ?    42.194   19.811      ?      ? 
1 1 1    8   36    1 o   96.667   23.226   33.006   11.981   0.0000   0.0000   33.006   11.981  ?   ?    96.667   23.226      ?      ? 
1 1 1    8   36    2 o   80.960   24.277   24.193   11.463   0.0000   0.0000   24.193   11.463  ?   ?    80.960   24.277      ?      ? 
1 1 1    8   36    3 o  105.633   20.803   37.806   11.452   0.0000   0.0000   37.806   11.452  ?   ?   105.633   20.803      ?      ? 
1 1 1    8   36    4 o   43.117   19.905  -2.7203   10.837   0.0000   0.0000  -2.7203   10.837  ?   ?    43.117   19.905      ?      ? 
1 1 1    8   36    5 o   74.675   24.568   21.719   11.479   0.0000   0.0000   21.719   11.479  ?   ?    74.675   24.568      ?      ? 
1 1 1    8   36    6 o   44.462   19.995   0.8421   10.055   0.0000   0.0000   0.8421   10.055  ?   ?    44.462   19.995      ?      ? 
1 1 1    8   36    7 o   73.822   20.342   19.483   8.3747   0.0000   0.0000   19.483   8.3747  ?   ?    73.822   20.342      ?      ? 
1 1 1    8   36    8 o   42.580   18.493   2.5112   7.9082   0.0000   0.0000   2.5112   7.9082  ?   ?    42.580   18.493      ?      ? 
1 1 1    8   36    9 o   50.142   19.568   7.6682   7.6616   0.0000   0.0000   7.6682   7.6616  ?   ?    50.142   19.568      ?      ? 
1 1 1    8   36   10 f   48.765   19.553   6.5475   7.8432   0.0000   0.0000   6.5475   7.8432  ?   ?    48.765   19.553      ?      ? 
1 1 1    8   36   11 o   50.275   19.812   7.1881   7.9191   0.0000   0.0000   7.1881   7.9191  ?   ?    50.275   19.812      ?      ? 
1 1 1    8   36   12 o   35.354   16.546  -4.7217   7.8952   0.0000   0.0000  -4.7217   7.8952  ?   ?    35.354   16.546      ?      ? 
1 1 1    8   36   13 o   28.414   13.992 -13.2527   7.6018   0.0000   0.0000 -13.2527   7.6018  ?   ?    28.414   13.992      ?      ? 
1 1 1    8   36   14 o   51.527   20.018   8.0255   7.9900   0.0000   0.0000   8.0255   7.9900  ?   ?    51.527   20.018      ?      ? 
1 1 1    8   36   15 o   47.447   19.479   5.8529   8.0007   0.0000   0.0000   5.8529   8.0007  ?   ?    47.447   19.479      ?      ? 
1 1 1    8   36   16 o   69.210   20.629   17.673   8.2949   0.0000   0.0000   17.673   8.2949  ?   ?    69.210   20.629      ?      ? 
1 1 1    8   36   17 o   75.768   20.249   20.977   8.4489   0.0000   0.0000   20.977   8.4489  ?   ?    75.768   20.249      ?      ? 
1 1 1    8   37    0 o   40.188   18.139  -0.2538   8.3646   0.0000   0.0000  -0.2538   8.3646  ?   ?    40.188   18.139      ?      ? 
1 1 1    8   37    1 f   51.047   20.349   7.9194   8.4430   0.0000   0.0000   7.9194   8.4430  ?   ?    51.047   20.349      ?      ? 
1 1 1    8   37    2 o   76.566   20.183   20.953   8.4686   0.0000   0.0000   20.953   8.4686  ?   ?    76.566   20.183      ?      ? 
1 1 1    8   37    3 o   54.034   20.533   9.8731   8.2785   0.0000   0.0000   9.8731   8.2785  ?   ?    54.034   20.533      ?      ? 
1 1 1    8   37    4 o   36.919   17.032  -2.3358   7.9129   0.0000   0.0000  -2.3358   7.9129  ?   ?    36.919   17.032      ?      ? 
1 1 1    8   37    5 o   41.260   18.256   1.5263   8.0353   0.0000   0.0000   1.5263   8.0353  ?   ?    41.260   18.256      ?      ? 
1 1 1    8   37    6 o   83.227   18.453   23.893   8.0811   0.0000   0.0000   23.893   8.0811  ?   ?    83.227   18.453      ?      ? 
1 1 1    8   37    7 o   34.912   16.440  -4.5360   8.0055   0.0000   0.0000  -4.5360   8.0055  ?   ?    34.912   16.440      ?      ? 
1 1 1    8   37    8 o  107.340   14.405   35.960   8.3555   0.0000   0.0000   35.960   8.3555  ?   ?   107.340   14.405      ?      ? 
1 1 1    9    0    0 o  115.955   3.0269   36.477   2.6739   36.477   2.6739   36.477   2.6739  115.955   4.2807  115.955   4.2807 0.000000 0.000000 
1 1 1    9    0    1 o  353.405   4.7820  337.844   12.904  337.844   12.904  337.844   12.904  353.405   6.7628  353.405   6.7628 0.000000 0.000000 
1 1 1    9    0    2 o   86.507   3.1222   20.377   2.0517   20.377   2.0517   20.377   2.0517   86.507   4.4155   86.507   4.4155 0.000000 0.000000 
1 1 1    9    0    3 o  414.174   5.4135  463.997   17.121  463.997   17.121  463.997   17.121  414.174   7.6558  414.174   7.6558 0.000000 0.000000 
1 1 1    9    0    4 f  1099.79   13.147  3272.90  110.421  3272.90  110.421  3272.90  110.421  1099.79   18.592  1099.79   18.592 0.000000 0.000000 
1 1 1    9    0    5 o  1042.75   12.485  2942.06   99.424  2942.06   99.424  2942.06   99.424  1042.75   17.657  1042.75   17.657 0.000000 0.000000 
1 1 1    9    0    6 o  1068.52   12.784  3089.45  104.317  3089.45  104.317  3089.45  104.317  1068.52   18.079  1068.52   18.079 0.000000 0.000000 
1 1 1    9    0    7 o  1480.42   17.591  5934.52  198.881  5934.52  198.881  5934.52  198.881  1480.42   24.877  1480.42   24.877 0.000000 0.000000 
1 1 1    9    0    8 o  246.280   3.8987  164.135   7.3293  164.135   7.3293  164.135   7.3293  246.280   5.5136  246.280   5.5136 0.000000 0.000000 
1 1 1    9    0   11 o  185.188   3.3843   92.849   4.7823   92.849   4.7823   92.849   4.7823  185.188   4.7862  185.188   4.7862 0.000000 0.000000 
1 1 1    9    0   12 o  186.688   3.4288   94.363   4.8842   94.363   4.8842   94.363   4.8842  186.688   4.8490  186.688   4.8490 0.000000 0.000000 
1 1 1    9    0   13 o  573.781   7.1680  890.743   31.408  890.743   31.408  890.743   31.408  573.781   10.137  573.781   10.137 0.000000 0.000000 
1 1 1    9    0   14 o  796.098   9.6732  1715.54   58.810  1715.54   58.810  1715.54   58.810  796.098   13.680  796.098   13.680 0.000000 0.000000 
1 1 1    9    0   15 o   53.151   5.4880   8.1081   2.0902   8.1081   2.0902   8.1081   2.0902   53.151   7.7612   53.151   7.7612 0.000000 0.000000 
1 1 1    9    0   16 o  615.521   7.6431  1025.26   35.927  1025.26   35.927  1025.26   35.927  615.521   10.809  615.521   10.809 0.000000 0.000000 
1 1 1    9    0   17 o  475.866   6.1259  612.710   22.261  612.710   22.261  612.710   22.261  475.866   8.6634  475.866   8.6634 0.000000 0.000000 
1 1 1    9    0   18 o  351.893   4.8774  335.050   13.105  335.050   13.105  335.050   13.105  351.893   6.8977  351.893   6.8977 0.000000 0.000000 
1 1 1    9    0   19 f  517.570   6.5937  724.888   26.060  724.888   26.060  724.888   26.060  517.570   9.3249  517.570   9.3249 0.000000 0.000000 
1 1 1    9    0   20 o  466.520   6.0534  588.936   21.565  588.936   21.565  588.936   21.565  466.520   8.5608  466.520   8.5608 0.000000 0.000000 
1 1 1    9    0   21 o  368.004   5.0739  366.454   14.257  366.454   14.257  366.454   14.257  368.004   7.1756  368.004   7.1756 0.000000 0.000000 
1 1 1    9    0   22 o  165.826   3.8007   74.544   4.8049   74.544   4.8049   74.544   4.8049  165.826   5.3750  165.826   5.3750 0.000000 0.000000 
1 1 1    9    0   23 o  1357.62   16.205  5001.08  168.013  5001.08  168.013  5001.08  168.013  1357.62   22.917  1357.62   22.917 0.000000 0.000000 
1 1 1    9    0   24 o  181.981   3.9827   89.751   5.5267   89.751   5.5267   89.751   5.5267  181.981   5.6325  181.981   5.6325 0.000000 0.000000 
1 1 1    9    0   25 o  1588.86   18.927  6852.17  229.659  6852.17  229.659  6852.17  229.659  1588.86   26.766  1588.86   26.766 0.000000 0.000000 
1 1 1    9    0   26 o  2051.39   34.739 11527.03  543.887 11527.03  543.887 11527.03  543.887  2051.39   49.129  2051.39   49.129 0.000000 0.000000 
1 1 1    9    0   27 o  828.292   14.293  1860.36   90.350  1860.36   90.350  1860.36   90.350  828.292   20.213  828.292   20.213 0.000000 0.000000 
1 1 1    9    0   28 o  319.180   6.8971  276.126   16.788  276.126   16.788  276.126   16.788  319.180   9.7540  319.180   9.7540 0.000000 0.000000 
1 1 1    9    0   29 o  739.847   12.944  1483.56   73.085  1483.56   73.085  1483.56   73.085  739.847   18.306  739.847   18.306 0.000000 0.000000 
1 1 1    9    0   30 o  1147.12   13.764  3564.12  120.582  3564.12  120.582  3564.12  120.582  1147.12   19.466  1147.12   19.466 0.000000 0.000000 
1 1 1    9    0   31 o  963.818   11.668  2515.05   85.880  2515.05   85.880  2515.05   85.880  963.818   16.500  963.818   16.500 0.000000 0.000000 
1 1 1    9    0   32 o  1037.23   12.510  2913.33   99.097  2913.33   99.097  2913.33   99.097  1037.23   17.692  1037.23   17.692 0.000000 0.000000 
1 1 1    9    0   33 o  904.166   11.000  2213.36   75.955  2213.36   75.955  2213.36   75.955  904.166   15.556  904.166   15.556 0.000000 0.000000 
1 1 1    9    0   34 o  277.862   4.9072  209.048   10.405  209.048   10.405  209.048   10.405  277.862   6.9399  277.862   6.9399 0.000000 0.000000 
1 1 1    9    0   35 o  328.297   5.1888  291.731   13.003  291.731   13.003  291.731   13.003  328.297   7.3381  328.297   7.3381 0.000000 0.000000 
1 1 1    9    0   36 o  334.936   5.2954  303.654   13.539  303.654   13.539  303.654   13.539  334.936   7.4889  334.936   7.4889 0.000000 0.000000 
1 1 1    9    0   37 o  372.452   7.8930  376.126   22.420  376.126   22.420  376.126   22.420  372.452   11.162  372.452   11.162 0.000000 0.000000 
1 1 1    9    0   40 o   17.745   9.0216 -10.2637   5.9510 -10.2637   5.9510 -10.2637   5.9510   17.745   12.758   17.745   12.758 0.000000 0.000000 
1 1 1    9    0   41 o  451.995   6.2454  553.104   21.554  553.104   21.554  553.104   21.554  451.995   8.8324  451.995   8.8324 0.000000 0.000000 
1 1 1    9    0   42 o   94.383   9.1840   25.449   6.2672   25.449   6.2672   25.449   6.2672   94.383   12.988   94.383   12.988 0.000000 0.000000 
1 1 1    9    0   43 o  366.302   5.5545  363.351   15.532  363.351   15.532  363.351   15.532  366.302   7.8553  366.302   7.8553 0.000000 0.000000 
1 1 1    9    0   44 o  688.165   8.6565  1284.14   45.491  1284.14   45.491  1284.14   45.491  688.165   12.242  688.165   12.242 0.000000 0.000000 
1 1 1    9    0   45 o   54.506   14.938   11.035   5.9173   11.035   5.9173   11.035   5.9173   54.506   21.125   54.506   21.125 0.000000 0.000000 
1 1 1    9    0   46 o  347.194   5.4104  326.625   14.339  326.625   14.339  326.625   14.339  347.194   7.6515  347.194   7.6515 0.000000 0.000000 
1 1 1    9    0   47 o   58.647   14.382   12.217   5.8165   12.217   5.8165   12.217   5.8165   58.647   20.339   58.647   20.339 0.000000 0.000000 
1 1 1    9    0   48 o  174.680   5.6054   83.115   7.4475   83.115   7.4475   83.115   7.4475  174.680   7.9272  174.680   7.9272 0.000000 0.000000 
1 1 1    9    0   49 o  356.020   5.5310  343.728   15.032  343.728   15.032  343.728   15.032  356.020   7.8220  356.020   7.8220 0.000000 0.000000 
1 1 1    9    0   50 o   88.986   9.9913   23.114   6.2813   23.114   6.2813   23.114   6.2813   88.986   14.130   88.986   14.130 0.000000 0.000000 
1 1 1    9    0   51 o  143.099   6.4209   56.213   6.9568   56.213   6.9568   56.213   6.9568  143.099   9.0805  143.099   9.0805 0.000000 0.000000 
1 1 1    9    0   52 o  144.254   6.3198   57.114   6.9055   57.114   6.9055   57.114   6.9055  144.254   8.9376  144.254   8.9376 0.000000 0.000000 
1 1 1    9    0   53 o  145.548   6.2756   58.169   6.9207   58.169   6.9207   58.169   6.9207  145.548   8.8750  145.548   8.8750 0.000000 0.000000 
1 1 1    9    0   54 o   37.827   14.694   5.6034   6.1239   5.6034   6.1239   5.6034   6.1239   37.827   20.780   37.827   20.780 0.000000 0.000000 
1 1 1    9    0   55 o   41.366   14.922   7.0452   5.9428   7.0452   5.9428   7.0452   5.9428   41.366   21.103   41.366   21.103 0.000000 0.000000 
1 1 1    9    0   56 f  192.312   5.6132  101.024   8.2174  101.024   8.2174  101.024   8.2174  192.312   7.9383  192.312   7.9383 0.000000 0.000000 
1 1 1    9    0   57 o  129.471   7.2743   46.649   7.0928   46.649   7.0928   46.649   7.0928  129.471   10.287  129.471   10.287 0.000000 0.000000 
1 1 1    9    0   58 o  192.328   5.7221  101.218   8.3763  101.218   8.3763  101.218   8.3763  192.328   8.0923  192.328   8.0923 0.000000 0.000000 
1 1 1    9    0   59 o   34.664   14.321   4.2982   6.3187   4.2982   6.3187   4.2982   6.3187   34.664   20.254   34.664   20.254 0.000000 0.000000 
1 1 1    9    0   60 o   38.692   15.397   6.0019   6.9186   6.0019   6.9186   6.0019   6.9186   38.692   21.775   38.692   21.775 0.000000 0.000000 
1 1 1    9    0   61 o   31.864   13.933   2.5435   6.7023   2.5435   6.7023   2.5435   6.7023   31.864   19.704   31.864   19.704 0.000000 0.000000 
1 1 1    9    0   62 o   41.836   16.194   7.4609   7.4082   7.4609   7.4082   7.4609   7.4082   41.836   22.902   41.836   22.902 0.000000 0.000000 
1 1 1    9    0   63 o  126.648   8.4023   45.606   7.9675   45.606   7.9675   45.606   7.9675  126.648   11.883  126.648   11.883 0.000000 0.000000 
1 1 1    9    0   64 o   28.267   13.386  -1.7755   8.0489  -1.7755   8.0489  -1.7755   8.0489   28.267   18.931   28.267   18.931 0.000000 0.000000 
1 1 1    9    1    0 o  728.735   8.8730  1435.27   34.933  1417.81   48.814  1453.59   50.015  724.197   12.474  733.273   12.622 -9.076172 17.74604 
1 1 1    9    1    1 o  467.739   5.9774  591.152   15.106  584.664   21.160  597.896   21.572  465.123   8.4190  470.356   8.4876 -5.232819 11.95488 
1 1 1    9    1    2 o  609.068   7.5255  1002.62   24.766  995.682   34.810  1009.74   35.244  606.934   10.614  611.203   10.671 -4.269348 15.05091 
1 1 1    9    1    3 o  777.017   13.320  1632.32   55.926   0.0000   0.0000  1632.32   55.926  ?   ?   777.017   13.320      ?      ? 
1 1 1    9    1    4 o  849.968   10.259  1952.45   47.099  1920.04   65.470  1987.22   67.808  842.667   14.378  857.270   14.638 -14.60309 20.51815 
1 1 1    9    1    5 o  223.178   3.6333  134.352   4.3778  127.839   6.0500  141.510   6.3425  217.511   5.1474  228.846   5.1290 -11.33492 7.266502 
1 1 1    9    1    6 o  430.240   5.5939  500.255   13.005  499.380   18.380  501.134   18.405  429.863   7.9126  430.617   7.9094 -0.7542419 11.18788 
1 1 1    9    1    7 o  193.685   4.9388  101.367   5.1690   0.0000   0.0000  101.367   5.1690  ?   ?   193.685   4.9388      ?      ? 
1 1 1    9    1    8 o  320.835   6.4104  278.168   11.114   0.0000   0.0000  278.168   11.114  ?   ?   320.835   6.4104      ?      ? 
1 1 1    9    1    9 o  1271.89   15.160  4379.15  104.153  4315.93  144.985  4446.56  149.718  1262.43   21.253  1281.34   21.623 -18.91003 30.31941 
1 1 1    9    1   10 o  760.216   9.2539  1562.84   38.015  1567.94   53.838  1557.77   53.683  761.453   13.085  758.979   13.089 2.473022 18.50789 
1 1 1    9    1   11 o  156.031   4.5736   65.786   3.8562   0.0000   0.0000   65.786   3.8562  ?   ?   156.031   4.5736      ?      ? 
1 1 1    9    1   12 o  555.745   6.9596  835.000   20.899  838.004   29.675  832.044   29.439  556.736   9.8641  554.754   9.8204 1.981812 13.91911 
1 1 1    9    1   13 o  815.026   9.8849  1797.72   43.531  1783.34   61.085  1812.55   62.049  811.722   13.927  818.330   14.032 -6.607605 19.76980 
1 1 1    9    1   14 o  851.949   10.306  1965.43   47.443  1963.75   67.042  1967.11   67.148  851.585   14.569  852.312   14.580 -0.7263794 20.61118 
1 1 1    9    1   15 o  414.287   5.4610  462.806   12.203  444.927   16.655  483.529   17.931  405.675   7.5975  422.899   7.8466 -17.22345 10.92204 
1 1 1    9    1   16 o  596.133   7.4231  958.942   23.866  924.590   32.550  998.880   35.097  584.631   10.303  607.636   10.689 -23.00531 14.84626 
1 1 1    9    1   17 f  477.581   6.1387  616.550   15.837  606.951   22.073  626.735   22.737  473.754   8.6222  481.408   8.7404 -7.653259 12.27748 
1 1 1    9    1   18 o  807.980   9.8163  1766.83   42.833  1732.08   59.368  1804.57   61.860  799.719   13.738  816.241   14.025 -16.52264 19.63251 
1 1 1    9    1   19 o  449.668   5.8641  546.712   14.247  553.412   20.346  540.264   19.957  452.370   8.3232  446.967   8.2628 5.403076 11.72815 
1 1 1    9    1   20 o   61.335   5.6680   10.056   1.8431   7.5919   2.4733   13.132   2.7640   52.980   8.6393   69.690   7.3396 -16.71027 11.33609 
1 1 1    9    1   21 o  578.872   7.2662  906.032   22.715  887.285   31.474  926.412   32.816  572.636   10.172  585.108   10.379 -12.47186 14.53235 
1 1 1    9    1   22 o  182.977   3.8142   90.504   3.7706   91.165   5.2977   89.826   5.3680  183.654   5.3382  182.300   5.4493 1.354797 7.628332 
1 1 1    9    1   23 o  263.797   4.2255  188.013   6.0216  184.472   8.3914  191.773   8.6459  261.238   5.9444  266.356   6.0070 -5.117676 8.451094 
1 1 1    9    1   24 o  563.702   7.1219  859.469   21.692  853.606   30.462  865.502   30.898  561.754   10.035  565.650   10.109 -3.895996 14.24386 
1 1 1    9    1   25 o  246.328   4.2109  163.699   5.5984  158.080   7.6912  170.031   8.1646  241.841   5.8854  250.814   6.0241 -8.973129 8.421871 
1 1 1    9    1   26 o  822.479   12.238  1843.49   51.747  1867.34   64.213  1799.32   87.398  830.497   14.309  814.462   19.858 16.03522 24.47622 
1 1 1    9    1   27 o  961.195   16.403  2502.24   85.197   0.0000   0.0000  2502.24   85.197  ?   ?   961.195   16.403      ?      ? 
1 1 1    9    1   28 f  281.803   5.7811  201.545   7.7636  242.793   15.744  188.292   8.9240  299.657   9.7230  263.948   6.2568 35.70871 11.56220 
1 1 1    9    1   29 o  772.391   11.618  1611.03   45.534  1602.94   55.486  1627.70   79.683  769.710   13.340  775.072   19.025 -5.362244 23.23638 
1 1 1    9    1   30 o  113.013   5.6230   34.527   3.4245   34.532   4.6734   34.521   5.0324  113.024   7.6519  113.002   8.2414 0.2194977E-01 11.24602 
1 1 1    9    1   31 o  529.111   6.8394  756.774   19.550  767.941   28.020  746.181   27.291  532.911   9.7304  525.311   9.6141 7.599182 13.67886 
1 1 1    9    1   32 o  202.600   6.5385  110.944   7.1582   0.0000   0.0000  110.944   7.1582  ?   ?   202.600   6.5385      ?      ? 
1 1 1    9    1   33 o  808.076   9.9041  1767.21   43.238  1789.19   61.919  1746.28   60.404  812.971   14.095  803.182   13.917 9.788513 19.80817 
1 1 1    9    1   34 o  1204.87   14.474  3940.93   94.230  3960.25  133.933  3921.99  132.598  1207.78   20.522  1201.96   20.416 5.819214 28.94706 
1 1 1    9    1   35 o  694.240   8.6611  1304.55   32.491  1301.13   45.829  1308.01   46.070  693.325   12.233  695.154   12.265 -1.828308 17.32215 
1 1 1    9    1   36 o  349.960   6.4845  333.026   11.770  324.775   19.497  337.758   14.764  346.479   10.413  353.440   7.7303 -6.961517 12.96906 
1 1 1    9    1   37 o  247.191   7.1837  165.725   9.5581  182.860   13.533  148.671   13.501  259.989   9.6331  234.394   10.659 25.59488 14.36731 
1 1 1    9    1   39 f  480.066   9.2610  624.336   24.012  630.631   34.571  618.468   33.378  482.385   13.262  477.747   12.929 4.637970 18.52193 
1 1 1    9    1   40 o  375.940   8.0105  382.479   16.259  388.964   23.555  376.577   22.472  378.968   11.503  372.912   11.152 6.056458 16.02093 
1 1 1    9    1   41 o  833.603   10.255  1886.26   46.188  1904.52   65.964  1868.69   64.694  837.541   14.575  829.665   14.430 7.875671 20.51014 
1 1 1    9    1   42 o  331.834   5.3147  297.448   9.5215  311.048   13.816  285.146   13.140  339.044   7.5412  324.624   7.4909 14.42026 10.62935 
1 1 1    9    1   43 o  543.651   7.1321  800.866   20.950  806.529   29.862  795.376   29.400  545.536   10.130  541.765   10.042 3.770935 14.26411 
1 1 1    9    1   44 o  253.897   5.1100  174.505   7.0104  173.665   9.9534  175.332   9.8755  253.287   7.2723  254.507   7.1808 -1.219025 10.22009 
1 1 1    9    1   45 o  188.728   5.3385   96.476   5.4435   94.519   7.6956   98.436   7.7011  186.808   7.6236  190.648   7.4754 -3.840469 10.67706 
1 1 1    9    1   46 o  426.086   6.0383  492.202   13.901  496.694   19.820  487.853   19.503  427.994   8.5700  424.179   8.5087 3.815125 12.07653 
1 1 1    9    1   47 o  251.305   5.1295  171.120   6.9639  165.720   9.7625  176.716   9.9368  247.263   7.3066  255.346   7.2016 -8.083054 10.25909 
1 1 1    9    1   48 o  171.939   5.6340   80.178   5.2333   79.223   7.3048   81.185   7.5010  170.893   7.9104  172.986   8.0245 -2.093079 11.26795 
1 1 1    9    1   49 o  235.568   5.1150  150.516   6.5108  150.625   9.2425  150.408   9.1733  235.650   7.2583  235.487   7.2090 0.1631775 10.22994 
1 1 1    9    1   50 o   54.857   11.404   7.7247   4.1141   13.951   5.7607   1.2438   5.8775   69.762   15.665   39.952   16.577 29.80930 22.80791 
1 1 1    9    1   51 o  249.016   5.1445  168.360   6.9213  171.889   9.8917  164.975   9.6878  251.572   7.2765  246.460   7.2743 5.111328 10.28891 
1 1 1    9    1   52 o   74.646   10.814   15.989   4.2147   15.449   6.0014   16.514   5.9205   73.300   15.629   75.991   14.951 -2.690987 21.62837 
1 1 1    9    1   53 o  120.110   7.1731   39.577   4.6457   36.756   6.5857   42.372   6.5543  115.780   10.526  124.439   9.7473 -8.659515 14.34621 
1 1 1    9    1   54 o  277.973   5.2230  210.250   7.8418  218.563   11.274  202.459   10.915  283.298   7.3644  272.648   7.4085 10.64954 10.44605 
1 1 1    9    1   55 o  220.274   5.3189  132.335   6.3263  139.328   9.0231  125.574   8.8724  226.033   7.3875  214.514   7.6542 11.51942 10.63771 
1 1 1    9    1   56 o  232.366   5.3082  147.435   6.6645  147.578   9.4949  147.296   9.3566  232.460   7.5588  232.272   7.4548 0.1887817 10.61649 
1 1 1    9    1   57 o  172.900   6.0573   81.913   5.6466   74.558   7.8216   89.919   8.1602  164.738   8.7865  181.062   8.3404 -16.32416 12.11464 
1 1 1    9    1   58 o  195.001   5.9335  104.669   6.2340  109.067   8.6186   99.844   9.0281  199.451   7.9967  190.551   8.7679 8.899338 11.86692 
1 1 1    9    1   59 o  149.460   6.7779   61.477   5.4585   55.989   7.4293   67.914   8.0467  142.221   9.6671  156.699   9.5031 -14.47766 13.55585 
1 1 1    9    1   60 o   94.017   9.5921   25.242   4.8553   26.536   6.7167   23.826   7.0268   96.797   12.841   91.237   14.253 5.560722 19.18429 
1 1 1    9    1   61 f  189.906   6.0272   99.519   6.1820   98.520   8.5918  100.591   8.9017  188.970   8.4140  190.842   8.6320 -1.872040 12.05431 
1 1 1    9    1   62 o  112.561   8.6093   36.003   5.2349   35.728   7.4773   36.268   7.3312  112.060   12.348  113.062   12.000 -1.001968 17.21852 
1 1 1    9    1   63 o  124.843   8.3648   44.496   5.5192   33.536   7.6110   56.652   8.0152  107.879   13.056  141.807   10.460 -33.92838 16.72959 
1 1 1    9    1   64 o   52.385   19.834   7.6032   7.7068   7.6032   7.7068   0.0000   0.0000   52.385   19.834  ?   ?       ?      ? 
1 1 1    9    1   65 o  329.061   14.363   84.654   12.059   35.068   12.404  937.613   51.446  101.866   23.070  556.256   17.115 -454.3896 28.72568 
1 1 1    9    1   66 o   40.835   19.326  -5.6194   11.318  -5.6194   11.318   0.0000   0.0000   40.835   19.326  ?   ?       ?      ? 
1 1 1    9    1   67 o   39.026   18.975 -13.7522   12.708 -13.7522   12.708   0.0000   0.0000   39.026   18.975  ?   ?       ?      ? 
1 1 1    9    2    0 o  304.974   4.3688  251.258   7.1986  246.811   10.077  255.891   10.287  302.220   6.1706  307.729   6.1863 -5.509399 8.737616 
1 1 1    9    2    1 o  1267.51   15.087  4344.35  103.263  4255.17  142.872  4441.89  149.422  1253.93   21.086  1281.09   21.585 -27.16602 30.17451 
1 1 1    9    2    2 f  636.013   11.094  1093.43   38.128   0.0000   0.0000  1093.43   38.128  ?   ?   636.013   11.094      ?      ? 
1 1 1    9    2    3 o  1347.98   16.035  4917.02  116.761  4845.99  162.673  4992.51  167.692  1337.96   22.500  1358.00   22.852 -20.03577 32.06976 
1 1 1    9    2    4 o  532.476   6.6987  766.225   19.273  759.474   27.039  773.198   27.477  530.093   9.4395  534.859   9.5071 -4.766602 13.39739 
1 1 1    9    2    5 o  1333.70   22.445  4815.76  161.761   0.0000   0.0000  4815.76  161.761  ?   ?   1333.70   22.445      ?      ? 
1 1 1    9    2    6 o  1784.46   29.949  8637.29  288.791   0.0000   0.0000  8637.29  288.791  ?   ?   1784.46   29.949      ?      ? 
1 1 1    9    2    7 o  764.948   18.691  1583.56   77.261   0.0000   0.0000  1583.56   77.261  ?   ?   764.948   18.691      ?      ? 
1 1 1    9    2    8 o  725.401   10.878  1428.34   40.394  1439.00   49.816  1407.88   69.020  729.506   12.637  721.297   17.708 8.209045 21.75505 
1 1 1    9    2    9 o  735.760   12.745  1463.84   50.672   0.0000   0.0000  1463.84   50.672  ?   ?   735.760   12.745      ?      ? 
1 1 1    9    2   11 o  738.462   11.024  1487.21   42.060  1516.67   52.589  1434.91   70.067  748.854   12.996  728.070   17.810 20.78448 22.04715 
1 1 1    9    2   12 o  508.264   12.987  698.874   35.667   0.0000   0.0000  698.874   35.667  ?   ?   508.264   12.987      ?      ? 
1 1 1    9    2   13 o  322.687   5.6322  280.346   9.1432  278.350   11.048  284.685   16.287  320.908   6.3713  324.467   9.2895 -3.558746 11.26446 
1 1 1    9    2   14 o  619.195   7.6707  1036.64   25.655  1019.08   35.667  1055.46   36.929  613.772   10.754  624.617   10.941 -10.84558 15.34142 
1 1 1    9    2   15 o   83.329   3.7096   18.811   1.6615   19.242   2.2521   18.297   2.4614   84.379   4.9392   82.279   5.5361 2.099670 7.419235 
1 1 1    9    2   16 o  1076.52   12.919  3141.48   75.116  3087.76  104.319  3199.32  108.250  1067.01   18.093  1086.03   18.446 -19.02417 25.83798 
1 1 1    9    2   17 o  681.643   8.3919  1255.75   30.877  1221.23   42.495  1294.37   44.942  671.748   11.707  691.538   12.027 -19.79004 16.78384 
1 1 1    9    2   18 f  128.528   3.5879   44.692   2.4891   45.936   3.4718   43.376   3.5705  130.371   4.9282  126.684   5.2157 3.686905 7.175740 
1 1 1    9    2   19 o  1257.45   15.055  4298.60  102.293  4285.65  144.184  4311.72  145.151  1255.56   21.251  1259.35   21.330 -3.783691 30.10954 
1 1 1    9    2   20 o  287.338   4.3302  222.933   6.7193  231.439   9.7048  215.100   9.3125  292.596   6.1380  282.079   6.1095 10.51724 8.660350 
1 1 1    9    2   21 o  351.735   4.9158  334.454   9.3427  338.050   13.300  330.951   13.127  353.601   6.9608  349.869   6.9432 3.731903 9.831656 
1 1 1    9    2   22 o  241.411   4.0461  157.517   5.2779  159.709   7.4989  155.365   7.4296  243.076   5.7091  239.747   5.7349 3.328552 8.092166 
1 1 1    9    2   23 o  317.067   4.6358  271.447   7.9374  280.771   11.482  262.913   10.985  322.275   6.5934  311.860   6.5184 10.41486 9.271624 
1 1 1    9    2   24 o  345.128   4.9161  321.848   9.1659  328.933   13.143  315.139   12.789  348.824   6.9729  341.432   6.9318 7.391113 9.832132 
1 1 1    9    2   25 o  280.247   5.4859  213.313   7.7913  215.196   9.5155  209.482   13.572  282.163   6.2409  278.330   9.0239 3.832581 10.97174 
1 1 1    9    2   26 o  184.856   4.0727   91.949   4.0553  102.948   5.9388   82.340   5.5510  195.169   5.6312  174.543   5.8854 20.62646 8.145475 
1 1 1    9    2   27 o  736.514   11.207  1448.08   41.155  1522.52   75.128  1416.17   49.192  749.547   18.549  723.481   12.583 26.06519 22.41404 
1 1 1    9    2   28 o  437.128   7.0927  514.659   15.806  522.748   27.443  510.643   19.335  439.632   11.552  434.624   8.2329 5.007507 14.18545 
1 1 1    9    2   29 o  631.694   7.9098  1079.11   26.998  1086.69   38.443  1071.75   37.924  633.878   11.223  629.510   11.149 4.368225 15.81957 
1 1 1    9    2   30 o  670.768   10.176  1226.70   35.200  1248.37   43.885  1187.61   58.942  679.320   11.955  662.216   16.472 17.10419 20.35296 
1 1 1    9    2   31 o  367.861   5.3156  365.741   10.565  370.312   15.060  361.311   14.827  370.123   7.5298  365.598   7.5050 4.525116 10.63125 
1 1 1    9    2   32 o  364.445   5.3115  359.041   10.460  359.036   14.826  359.045   14.760  364.443   7.5283  364.448   7.4948 -0.5401611E-02 10.62297 
1 1 1    9    2   33 o  702.675   8.7327  1335.84   33.153  1349.48   47.384  1322.75   46.403  706.184   12.417  699.166   12.282 7.017822 17.46538 
1 1 1    9    2   34 o  867.879   10.591  2039.69   49.656  2068.36   71.252  2012.61   69.240  873.791   15.090  861.967   14.865 11.82391 21.18255 
1 1 1    9    2   35 o  550.883   10.027  821.720   29.845  834.009   42.633  809.910   41.794  554.918   14.218  546.849   14.144 8.069214 20.05442 
1 1 1    9    2   36 o  322.207   7.1930  280.871   12.522  282.207   17.609  279.504   17.811  322.985   10.090  321.428   10.255 1.556976 14.38607 
1 1 1    9    2   37 o  498.872   9.3694  673.815   25.253  686.937   36.115  661.261   35.324  503.621   13.271  494.123   13.230 9.497864 18.73870 
1 1 1    9    2   38 o  568.389   7.3907  874.196   22.699  870.818   31.943  877.641   32.261  567.283   10.420  569.496   10.483 -2.212891 14.78130 
1 1 1    9    2   39 o  178.286   8.0739   85.772   7.7612   90.631   11.451   81.644   10.555  182.933   11.585  173.638   11.249 9.294296 16.14789 
1 1 1    9    2   40 o  323.612   7.7096  281.189   13.409  306.306   20.290  261.712   17.867  336.318   11.165  310.906   10.635 25.41138 15.41920 
1 1 1    9    2   41 o  493.558   8.2377  657.748   20.492  667.342   36.358  653.281   24.808  495.902   13.568  491.213   9.3460 4.688782 16.47537 
1 1 1    9    2   42 o  208.248   5.2447  117.319   5.9011  118.932   8.4249  115.767   8.2681  209.651   7.4367  206.844   7.3973 2.806854 10.48931 
1 1 1    9    2   43 o  515.847   6.8671  720.831   19.138  728.540   27.386  713.472   26.755  518.533   9.7739  513.161   9.6487 5.371704 13.73412 
1 1 1    9    2   44 o  456.331   6.3111  564.044   15.557  572.646   22.355  555.966   21.664  459.692   8.9993  452.970   8.8507 6.722015 12.62230 
1 1 1    9    2   45 f  128.389   6.8131   44.649   4.7050   50.797   6.8049   39.018   6.5125  136.867   9.2010  119.912   10.051 16.95527 13.62628 
1 1 1    9    2   46 o   78.467   10.677   17.631   4.3733   11.419   6.2112   23.738   6.1587   63.547   17.522   93.388   12.204 -29.84015 21.35324 
1 1 1    9    2   47 o  235.223   5.1309  149.950   6.5211  152.672   9.2875  147.304   9.1582  237.329   7.2421  233.117   7.2702 4.212280 10.26176 
1 1 1    9    2   48 o   47.108   10.897   3.0173   4.0718   11.656   5.7735  -5.5313   5.7433   63.933   16.574   30.283   14.153 33.64969 21.79497 
1 1 1    9    2   49 o  383.784   5.7421  399.889   11.907  404.279   16.990  395.651   16.692  385.847   8.1486  381.721   8.0925 4.126282 11.48422 
1 1 1    9    2   50 o  192.916   5.3788  101.152   5.6020  103.003   7.8018   99.182   8.0488  194.764   7.4131  191.067   7.7957 3.696854 10.75765 
1 1 1    9    2   51 o  219.411   5.2137  130.779   6.1813  131.150   8.7091  130.401   8.7746  219.732   7.3348  219.091   7.4116 0.6407928 10.42746 
1 1 1    9    2   52 o   53.610   12.271   7.7889   4.0936   6.2968   5.7814   9.2891   5.7971   49.897   17.425   57.324   17.282 -7.427635 24.54148 
1 1 1    9    2   53 o  199.849   5.3220  108.746   5.7460  108.321   8.2028  109.155   8.0515  199.449   7.6110  200.249   7.4408 -0.8003693 10.64391 
1 1 1    9    2   54 f  302.342   5.3197  249.011   8.6905  245.406   12.218  252.702   12.363  300.124   7.5340  304.560   7.5123 -4.436035 10.63937 
1 1 1    9    2   55 o  140.273   6.5475   53.982   4.9592   51.616   7.0153   56.345   7.0114  137.153   9.4658  143.393   9.0488 -6.239731 13.09508 
1 1 1    9    2   56 o   74.175   11.135   15.988   4.4175   19.612   6.2456   12.361   6.2490   83.689   13.811   64.661   17.471 19.02840 22.27034 
1 1 1    9    2   57 o  150.634   6.2330   62.328   5.0720   63.310   7.2812   61.403   7.0694  151.768   8.8784  149.500   8.7508 2.267715 12.46609 
1 1 1    9    2   58 o  124.786   7.2928   43.135   4.9152   41.998   6.9891   44.248   6.9139  123.101   10.507  126.472   10.117 -3.371376 14.58569 
1 1 1    9    2   59 o  268.540   5.4095  197.206   7.8369  211.072   11.469  185.063   10.733  277.364   7.6525  259.716   7.6479 17.64795 10.81903 
1 1 1    9    2   60 o   70.615   12.466   15.215   4.7555   13.559   6.6571   16.941   6.7957   66.536   18.055   74.695   17.193 -8.159225 24.93164 
1 1 1    9    2   61 o   42.300   12.481   2.0582   4.7592   2.8423   6.6869   1.2534   6.7749   43.461   17.821   41.139   17.477 2.321941 24.96114 
1 1 1    9    2   62 o   40.783   12.424   0.4681   5.0404  -1.9864   7.1630   2.8755   7.0939   37.527   16.876   44.038   18.237 -6.510128 24.84762 
1 1 1    9    2   63 o   43.783   12.351   0.5412   5.1580   9.5074   7.3010  -8.3932   7.2880   56.120   19.583   31.445   15.056 24.67542 24.70146 
1 1 1    9    2   64 o   48.093   14.714   0.5546   7.5131   7.8851   10.202  -8.1329   11.106   55.507   22.285   40.680   19.220 14.82775 29.42792 
1 1 1    9    2   65 o   32.657   16.250 -23.7838   11.286 -23.7838   11.286   0.0000   0.0000   32.657   16.250  ?   ?       ?      ? 
1 1 1    9    2   66 o   83.497   15.680   26.706   7.1540   28.289   8.8705   23.761   12.100   91.295   18.612   75.700   25.239 15.59486 31.35937 
1 1 1    9    2   67 o   55.438   16.370   8.5579   8.1060   11.678   12.435   6.2523   10.689   59.328   24.312   51.549   21.928 7.779293 32.74005 
1 1 1    9    3    0 o  398.607   5.3250  429.324   11.469  433.296   16.355  425.481   16.086  400.420   7.5586  396.793   7.5025 3.626617 10.64993 
1 1 1    9    3    1 o  1583.28   18.795  6789.41  160.762  6704.52  224.495  6878.77  230.322  1573.15   26.409  1593.41   26.750 -20.25647 37.58954 
1 1 1    9    3    2 o  976.104   11.722  2576.47   61.820  2548.75   86.484  2605.44   88.402  970.742   16.487  981.466   16.669 -10.72449 23.44494 
1 1 1    9    3    3 o  1641.11   19.489  7298.42  172.819  7341.01  245.987  7256.90  242.850  1645.82   27.659  1636.40   27.464 9.420044 38.97813 
1 1 1    9    3    4 o  848.664   10.261  1947.63   47.056  1940.82   66.348  1954.53   66.747  847.170   14.493  850.157   14.529 -2.986877 20.52213 
1 1 1    9    3    5 o  247.222   3.9374  165.096   5.2585  167.562   7.5440  162.766   7.3338  249.017   5.6064  245.427   5.5299 3.589188 7.874757 
1 1 1    9    3    7 o  327.659   5.8069  293.893   9.7523  302.434   12.113  278.153   16.443  334.532   6.7006  320.786   9.4858 13.74588 11.61374 
1 1 1    9    3    8 o  1125.75   27.012  3436.94  164.322   0.0000   0.0000  3436.94  164.322  ?   ?   1125.75   27.012      ?      ? 
1 1 1    9    3   11 o  286.408   6.1475  220.955   9.4951  234.459   13.981  209.392   12.936  294.501   8.7852  278.316   8.6017 16.18530 12.29508 
1 1 1    9    3   12 o  217.143   5.5143  125.600   6.4218  111.554   8.4846  144.437   9.8260  203.140   7.7295  231.147   7.8668 -28.00670 11.02867 
1 1 1    9    3   13 o  352.248   9.8987  335.586   18.841   0.0000   0.0000  335.586   18.841  ?   ?   352.248   9.8987      ?      ? 
1 1 1    9    3   14 o  213.482   3.6401  122.949   4.1952  117.972   5.7822  128.480   6.0960  208.929   5.1216  218.035   5.1740 -9.106064 7.280196 
1 1 1    9    3   15 o  802.136   9.7475  1739.39   42.196  1690.49   57.933  1794.64   61.582  790.175   13.568  814.096   13.999 -23.92084 19.49504 
1 1 1    9    3   16 o  548.093   6.9038  812.227   20.441  799.553   28.481  825.690   29.354  543.690   9.6941  552.497   9.8322 -8.806152 13.80753 
1 1 1    9    3   17 o  594.906   7.4265  957.481   23.873  951.952   33.593  963.124   33.933  593.172   10.480  596.639   10.525 -3.467163 14.85305 
1 1 1    9    3   18 o  813.708   9.8968  1792.65   43.499  1762.51   60.514  1824.86   62.572  806.653   13.883  820.763   14.108 -14.10974 19.79351 
1 1 1    9    3   19 o  606.049   7.5556  993.945   24.743  989.700   34.826  998.271   35.160  604.744   10.657  607.352   10.713 -2.608093 15.11120 
1 1 1    9    3   20 o  703.804   8.6516  1340.23   32.883  1313.18   45.553  1369.67   47.516  696.409   12.105  711.199   12.364 -14.79065 17.30315 
1 1 1    9    3   21 o  475.319   6.1606  610.985   15.822  606.247   22.199  615.876   22.556  473.448   8.6771  477.190   8.7475 -3.741058 12.32119 
1 1 1    9    3   22 o  302.754   4.5099  247.742   7.3770  245.644   10.328  249.927   10.541  301.446   6.3404  304.061   6.4154 -2.614929 9.019843 
1 1 1    9    3   23 o  488.161   6.3204  644.129   16.665  632.758   23.168  656.322   23.991  483.703   8.8637  492.620   9.0125 -8.916199 12.64083 
1 1 1    9    3   24 f  660.521   10.077  1180.87   33.818  1179.88   41.305  1182.88   58.902  660.348   11.575  660.694   16.498 -0.3457642 20.15416 
1 1 1    9    3   25 o  329.875   4.8266  294.096   8.6022  291.380   12.041  296.927   12.294  328.320   6.7870  331.429   6.8644 -3.108734 9.653123 
1 1 1    9    3   26 o  533.770   8.4481  770.162   22.853  772.748   40.021  768.910   27.839  534.309   13.861  533.232   9.6615 1.077759 16.89627 
1 1 1    9    3   27 o  491.449   6.3996  652.968   16.994  656.794   24.165  649.223   23.903  492.872   9.0734  490.025   9.0272 2.847076 12.79910 
1 1 1    9    3   28 o  681.628   8.4567  1256.19   31.138  1275.81   44.738  1237.76   43.365  686.781   12.055  676.475   11.863 10.30585 16.91336 
1 1 1    9    3   29 o  525.986   8.2382  746.664   22.122  753.378   38.236  743.286   27.122  527.664   13.410  524.307   9.5729 3.356995 16.47637 
1 1 1    9    3   30 o  1250.48   18.284  4278.54  117.846  4349.04  146.825  4150.90  197.570  1266.19   21.459  1234.78   29.610 31.40845 36.56873 
1 1 1    9    3   31 o  990.789   14.607  2678.51   74.505  2716.94   92.635  2608.11  125.380  1001.50   17.117  980.080   23.674 21.41821 29.21446 
1 1 1    9    3   32 o  990.992   11.980  2658.02   64.106  2719.24   92.810  2602.17   88.652  1001.86   17.143  980.121   16.739 21.74127 23.95991 
1 1 1    9    3   33 o  279.293   5.6632  206.355   8.0761  224.595   14.198  197.630   9.8194  288.193   9.1171  270.393   6.7205 17.79962 11.32634 
1 1 1    9    3   34 o  542.684   9.8499  795.132   28.825  834.234   42.462  761.712   39.256  555.000   14.158  530.369   13.697 24.63159 19.69981 
1 1 1    9    3   35 o  391.328   7.7828  411.828   16.398  444.144   24.496  385.586   22.074  405.144   11.189  377.511   10.821 27.63379 15.56569 
1 1 1    9    3   36 o  265.427   5.9248  190.518   8.1449  190.519   10.161  190.518   13.623  265.461   7.0834  265.392   9.4994 0.6851196E-01 11.84966 
1 1 1    9    3   37 o  1101.82   13.303  3293.11   79.149  3369.16  114.570  3223.68  109.470  1113.92   19.034  1089.73   18.590 24.18982 26.60641 
1 1 1    9    3   38 o  327.604   5.3491  288.796   9.4423  309.177   14.016  271.858   12.777  338.131   7.6709  317.076   7.4572 21.05508 10.69822 
1 1 1    9    3   39 o  473.466   7.9502  605.768   19.108  603.312   23.299  610.811   33.394  472.188   9.1312  474.744   13.017 -2.556000 15.90049 
1 1 1    9    3   40 o  682.349   12.238  1264.48   45.108  1238.51   62.817  1292.12   64.814  675.141   17.218  689.556   17.394 -14.41553 24.47528 
1 1 1    9    3   41 o  401.789   8.4512  437.805   18.342  434.234   26.242  441.216   25.646  400.164   12.136  403.413   11.765 -3.248627 16.90233 
1 1 1    9    3   42 o  525.503   6.9610  747.887   19.764  736.596   27.648  759.685   28.261  521.453   9.8122  529.553   9.8763 -8.100220 13.92196 
1 1 1    9    3   43 o   87.716   9.3131   20.962   4.3979   19.021   6.2500   22.867   6.1897   83.657   13.826   91.775   12.481 -8.118774 18.62619 
1 1 1    9    3   44 o  310.819   5.2691  261.355   8.8453  268.378   12.759  254.857   12.273  314.832   7.4999  306.807   7.4030 8.025085 10.53819 
1 1 1    9    3   45 o  245.064   5.1200  162.570   6.7774  164.903   9.7506  160.388   9.4270  246.759   7.3126  243.369   7.1684 3.389984 10.24009 
1 1 1    9    3   46 o  218.825   5.2818  129.624   6.2408  132.793   9.0392  126.737   8.6268  221.371   7.5565  216.279   7.3815 5.092346 10.56352 
1 1 1    9    3   47 o  191.553   5.4296   99.608   5.6107   97.482   8.1220  101.550   7.7599  189.572   7.9287  193.534   7.4201 -3.962112 10.85919 
1 1 1    9    3   48 o   57.608   12.173   9.2310   4.1067   7.8413   5.8227   10.607   5.7928   54.060   17.481   61.156   16.945 -7.095791 24.34542 
1 1 1    9    3   49 o  254.262   5.1989  175.375   7.1421  178.954   10.187  171.914   10.016  256.815   7.3406  251.709   7.3642 5.105621 10.39785 
1 1 1    9    3   50 o  264.595   5.1720  189.955   7.3915  185.352   10.268  194.906   10.649  261.278   7.2724  267.913   7.3559 -6.634491 10.34396 
1 1 1    9    3   51 o  185.400   5.4837   93.434   5.4915   97.054   7.8060   89.887   7.7269  188.971   7.6444  181.828   7.8642 7.142136 10.96736 
1 1 1    9    3   52 o  286.011   5.2405  222.456   8.0992  223.377   11.465  221.537   11.443  286.605   7.4028  285.418   7.4196 1.187073 10.48098 
1 1 1    9    3   53 o  207.707   5.3915  117.518   6.0456  111.081   8.5088  124.081   8.5913  201.924   7.7982  213.491   7.4472 -11.56673 10.78296 
1 1 1    9    3   54 o  369.995   5.7277  373.454   11.449  376.970   16.376  370.092   16.014  371.674   8.1539  368.316   8.0461 3.358582 11.45533 
1 1 1    9    3   55 o  260.659   5.3185  185.344   7.4896  189.743   10.722  181.153   10.466  263.676   7.5252  257.641   7.5178 6.035004 10.63697 
1 1 1    9    3   56 o  203.234   5.4869  112.874   6.0241  113.980   8.6353  111.825   8.4080  204.184   7.8265  202.284   7.6921 1.899780 10.97376 
1 1 1    9    3   57 f  154.444   6.3150   65.199   5.2407   75.670   7.7109   56.210   7.1445  165.999   8.5963  142.888   9.2531 23.11098 12.62995 
1 1 1    9    3   58 o  124.386   7.4316   43.015   4.9735   41.474   7.2986   44.350   6.7954  122.130   11.059  126.642   9.9301 -4.511215 14.86319 
1 1 1    9    3   59 o  154.770   6.4475   66.049   5.3833   68.056   7.8848   64.296   7.3677  156.901   9.2999  152.638   8.9326 4.262131 12.89492 
1 1 1    9    3   60 o  237.100   5.5409  154.535   7.0962  159.699   10.206  149.703   9.8729  240.929   7.8396  233.271   7.8324 7.658157 11.08180 
1 1 1    9    3   61 o  148.748   6.8744   61.512   5.5241   59.951   7.8115   63.074   7.8130  146.806   9.8470  150.690   9.5950 -3.884720 13.74870 
1 1 1    9    3   62 o   48.190   13.205   5.4612   4.9067   5.7959   6.9996   5.1378   6.8802   48.894   18.808   47.487   18.540 1.407227 26.40997 
1 1 1    9    3   63 o  155.953   10.144   69.053   8.3577   52.342   10.876   93.153   13.061  132.944   15.139  178.963   13.506 -46.01903 20.28833 
1 1 1    9    3   64 o   73.214   16.663   18.462   7.6285   21.935   10.557   14.669   11.035   79.884   23.129   66.543   23.992 13.34110 33.32547 
1 1 1    9    3   65 o   43.178   13.861  -3.2766   6.6850  -6.7624   8.2696   3.2973   11.356   35.233   16.628   51.123   22.182 -15.88910 27.72192 
1 1 1    9    3   66 f   48.641   13.546   5.3741   5.6138   12.324   8.2650  -0.5786   7.6490   58.856   20.812   38.427   17.345 20.42850 27.09247 
1 1 1    9    3   67 o  151.233   9.7099   68.812   7.5685   67.882   9.4096   70.518   12.738  152.282   11.435  150.184   15.696 2.098846 19.41979 
1 1 1    9    4    0 o  835.124   10.123  1885.70   45.675  1902.72   65.195  1869.29   64.009  838.821   14.383  831.427   14.247 7.394165 20.24499 
1 1 1    9    4    1 o  564.270   7.0960  860.627   21.636  862.327   30.697  858.948   30.500  564.823   10.058  563.717   10.013 1.106506 14.19200 
1 1 1    9    4    2 o  1459.30   17.362  5766.43  136.854  5857.02  196.826  5681.65  190.413  1470.36   24.773  1448.25   24.331 22.11121 34.72313 
1 1 1    9    4    4 o  899.858   10.870  2190.06   52.850  2175.35   74.220  2205.19   75.274  896.797   15.316  902.919   15.428 -6.122681 21.73914 
1 1 1    9    4    5 o  265.218   4.1748  190.082   5.9828  189.996   8.5047  190.166   8.4179  265.159   5.9356  265.277   5.8724 -0.1186523 8.349636 
1 1 1    9    4    6 o  1832.19   21.767  9113.53  215.502  9139.56  305.647  9087.80  303.891  1834.78   30.828  1829.60   30.738 5.176636 43.53385 
1 1 1    9    4    7 o  983.013   16.728  2614.59   88.858   0.0000   0.0000  2614.59   88.858  ?   ?   983.013   16.728      ?      ? 
1 1 1    9    4    8 o  789.445   13.608  1685.50   58.050   0.0000   0.0000  1685.50   58.050  ?   ?   789.445   13.608      ?      ? 
1 1 1    9    4   10 o  1260.75   21.367  4308.48  145.565   0.0000   0.0000  4308.48  145.565  ?   ?   1260.75   21.367      ?      ? 
1 1 1    9    4   11 o  585.926   10.423  929.321   32.999  935.360   46.947  923.423   46.392  587.804   14.780  584.048   14.700 3.756531 20.84566 
1 1 1    9    4   12 o  202.102   7.8891  110.428   8.6156   0.0000   0.0000  110.428   8.6156  ?   ?   202.102   7.8891      ?      ? 
1 1 1    9    4   13 o  728.958   12.619  1438.17   49.707   0.0000   0.0000  1438.17   49.707  ?   ?   728.958   12.619      ?      ? 
1 1 1    9    4   14 o  625.712   10.986  1059.24   37.144   0.0000   0.0000  1059.24   37.144  ?   ?   625.712   10.986      ?      ? 
1 1 1    9    4   16 o  523.143   9.4029  740.239   26.581   0.0000   0.0000  740.239   26.581  ?   ?   523.143   9.4029      ?      ? 
1 1 1    9    4   17 o  906.570   10.960  2227.42   53.690  2223.56   75.808  2231.29   76.051  905.784   15.488  907.355   15.511 -1.570313 21.91974 
1 1 1    9    4   18 o  181.157   5.2123   88.702   5.1024   0.0000   0.0000   88.702   5.1024  ?   ?   181.157   5.2123      ?      ? 
1 1 1    9    4   19 o  184.154   5.2730   91.664   5.2472   0.0000   0.0000   91.664   5.2472  ?   ?   184.154   5.2730      ?      ? 
1 1 1    9    4   20 o  456.621   5.9705  563.663   14.727  573.345   21.148  554.547   20.521  460.423   8.5001  452.819   8.3867 7.604248 11.94102 
1 1 1    9    4   21 o  660.400   8.1781  1180.40   29.184  1185.37   41.437  1175.51   41.109  661.777   11.587  659.024   11.544 2.752930 16.35623 
1 1 1    9    4   22 o  748.846   9.1770  1518.39   37.135  1520.04   52.578  1516.75   52.455  749.250   12.986  748.442   12.970 0.8087769 18.35400 
1 1 1    9    4   23 o  286.011   5.6154  218.841   7.9618  215.404   9.4873  227.027   14.640  282.293   6.2195  289.728   9.3514 -7.435028 11.23078 
1 1 1    9    4   24 o  497.165   7.9280  672.413   20.137  680.287   24.809  657.207   34.474  501.564   9.1536  492.766   12.947 8.797943 15.85598 
1 1 1    9    4   25 o  1146.43   16.968  3552.05   98.168  3626.13  173.975  3517.45  118.906  1154.00   27.899  1138.87   19.321 15.12720 33.93663 
1 1 1    9    4   26 o  1000.25   14.833  2713.92   75.461  2713.96  131.081  2713.89   92.287  999.587   24.268  1000.91   17.063 -1.326965 29.66605 
1 1 1    9    4   27 o  590.583   7.4612  942.827   23.804  958.178   34.179  928.368   33.171  595.245   10.626  585.920   10.477 9.325256 14.92244 
1 1 1    9    4   28 o  1184.26   14.189  3799.67   90.769  3856.41  130.329  3746.22  126.490  1192.81   20.220  1175.70   19.910 17.10815 28.37705 
1 1 1    9    4   29 o  667.728   10.148  1202.32   34.463  1219.82   60.098  1193.74   42.067  671.141   16.571  664.315   11.719 6.826111 20.29629 
1 1 1    9    4   30 o  995.360   14.691  2691.27   74.777  2673.42  128.275  2700.46   92.032  992.244   23.924  998.475   17.057 -6.230957 29.38222 
1 1 1    9    4   31 o  320.585   5.8984  280.255   9.8429  287.163   12.440  268.694   16.095  325.941   7.0633  315.230   9.4486 10.71072 11.79689 
1 1 1    9    4   32 o  445.248   8.3576  536.217   20.105  544.369   28.717  528.378   28.158  448.566   11.847  441.931   11.791 6.634674 16.71515 
1 1 1    9    4   33 o  373.107   7.4457  376.571   15.011  376.126   21.106  377.027   21.353  372.886   10.474  373.327   10.585 -0.4415588 14.89145 
1 1 1    9    4   34 o  760.328   13.220  1567.12   54.278  1606.31   78.546  1531.31   75.092  769.383   18.893  751.274   18.497 18.10889 26.44013 
1 1 1    9    4   35 o  343.074   5.3470  317.934   9.9072  326.884   14.300  309.673   13.739  347.711   7.6108  338.436   7.5124 9.274719 10.69396 
1 1 1    9    4   36 o  527.290   6.9557  752.103   19.818  745.987   27.837  758.389   28.220  525.118   9.8102  529.462   9.8635 -4.343445 13.91141 
1 1 1    9    4   37 o  987.890   11.994  2647.14   64.026  2653.72   90.770  2640.62   90.323  989.107   16.983  986.673   16.941 2.434326 23.98780 
1 1 1    9    4   38 o  258.695   5.1092  180.525   7.1333  190.648   10.402  171.538   9.8007  265.523   7.2499  251.866   7.2011 13.65697 10.21844 
1 1 1    9    4   39 o  249.394   6.6499  167.087   8.1835  165.331   9.7307  171.329   15.126  247.252   7.2831  251.536   11.128 -4.283386 13.29980 
1 1 1    9    4   40 o  375.857   8.2355  382.426   16.710  389.414   24.267  376.126   23.042  379.101   11.846  372.612   11.444 6.488770 16.47108 
1 1 1    9    4   41 o  339.098   7.9447  311.455   14.541  316.441   21.146  306.982   20.027  341.649   11.454  336.547   11.013 5.102173 15.88933 
1 1 1    9    4   42 o  445.910   7.7958  536.043   17.406  547.072   31.304  531.107   20.942  448.931   12.904  442.889   8.7507 6.041992 15.59152 
1 1 1    9    4   43 o  504.458   6.7715  689.278   18.453  676.232   25.708  703.143   26.503  499.545   9.5238  509.371   9.6287 -9.826233 13.54310 
1 1 1    9    4   44 o  385.286   5.7410  402.135   11.952  400.943   16.921  403.322   16.885  384.713   8.1397  385.858   8.0982 -1.144989 11.48200 
1 1 1    9    4   45 o  477.607   6.5217  618.598   16.828  624.131   24.070  613.308   23.537  479.683   9.2859  475.531   9.1596 4.151855 13.04331 
1 1 1    9    4   46 o  145.712   6.1668   57.594   4.8551   58.654   6.9128   56.561   6.8205  147.037   8.7004  144.387   8.7418 2.649673 12.33357 
1 1 1    9    4   47 f  343.163   5.4353  319.317   10.077  321.975   14.426  316.784   14.081  344.547   7.7486  341.779   7.6242 2.767883 10.87060 
1 1 1    9    4   48 o  137.396   6.4060   51.272   4.7552   52.567   6.7914   50.026   6.6603  139.099   9.0354  135.692   9.0834 3.407135 12.81203 
1 1 1    9    4   49 o  312.447   5.3001  264.987   8.9483  263.267   12.630  266.720   12.680  311.427   7.5048  313.467   7.4860 -2.039795 10.60017 
1 1 1    9    4   50 o   52.702   11.393   6.2583   4.2059  -1.0017   5.9163   13.676   5.9804   36.460   15.913   68.944   16.308 -32.48365 22.78518 
1 1 1    9    4   51 o  223.507   5.2466  135.426   6.3285  126.830   8.7279  144.956   9.1896  216.036   7.4765  230.978   7.3628 -14.94206 10.49323 
1 1 1    9    4   53 f  368.802   5.9658  370.518   11.863  380.194   17.448  362.198   16.179  373.179   8.6523  364.425   8.2159 8.753998 11.93163 
1 1 1    9    4   54 o   84.345   10.639   20.129   4.7383   22.296   6.8908   18.185   6.5260   89.442   14.258   79.248   15.794 10.19367 21.27737 
1 1 1    9    4   55 o  208.988   5.4300  119.179   6.1244  121.139   8.9166  117.429   8.4265  210.566   7.8365  207.409   7.5185 3.157898 10.85994 
1 1 1    9    4   56 o  264.527   5.3493  191.250   7.6452  189.408   10.874  193.051   10.750  263.235   7.6450  265.819   7.4843 -2.583893 10.69861 
1 1 1    9    4   57 o  188.724   5.6942   97.230   5.7952  104.608   8.5195   90.876   7.9062  195.355   8.0705  182.093   8.0350 13.26175 11.38839 
1 1 1    9    4   58 o   78.809   10.935   18.755   4.4967   12.731   6.5810   24.032   6.1585   65.011   18.078   92.607   12.307 -27.59602 21.86926 
1 1 1    9    4   59 o   83.063   10.805   20.230   4.6999   24.629   6.7266   16.034   6.5696   93.225   13.353   72.900   16.991 20.32474 21.61016 
1 1 1    9    4   60 o   71.245   11.777   15.561   4.7684   8.3946   6.8923   22.140   6.6039   54.469   19.025   88.021   13.884 -33.55198 23.55302 
1 1 1    9    4   61 o  186.665   5.9853   96.261   6.0331   96.424   8.6962   96.110   8.3769  186.742   8.6179  186.588   8.3083 0.1537476 11.97061 
1 1 1    9    4   62 o  175.856   8.9370   88.184   8.4727   87.275   11.574   89.234   12.437  175.180   12.227  176.532   13.038 -1.352097 17.87390 
1 1 1    9    4   63 o   51.453   14.911   4.9495   6.9069   10.090   9.6013  -0.5640   9.9434   58.204   22.114   44.703   20.009 13.50074 29.82259 
1 1 1    9    4   64 o  251.607   7.4841  183.120   9.6654  194.433   12.182  163.896   15.880  264.302   8.5294  238.912   12.300 25.38957 14.96824 
1 1 1    9    4   65 o  130.267   9.0962   49.662   6.2676   62.091   9.0246   38.081   8.7112  147.147   11.350  113.387   14.218 33.76014 18.19241 
1 1 1    9    4   66 o  132.200   8.5987   51.427   6.1283   53.915   9.0460   49.318   8.3315  134.914   12.408  129.485   11.907 5.429214 17.19743 
1 1 1    9    4   67 f   46.871   13.459   5.5878   5.4684   2.4154   8.0330   8.3274   7.4650   42.638   18.577   51.104   19.479 -8.466610 26.91736 
1 1 1    9    5    0 o  1449.91   17.253  5696.30  135.174  5699.23  191.328  5693.37  191.002  1450.28   24.414  1449.54   24.385 0.7414551 34.50599 
1 1 1    9    5    1 o  1239.25   14.796  4156.76   99.054  4214.91  142.129  4101.85  138.125  1247.65   21.082  1230.84   20.767 16.80786 29.59251 
1 1 1    9    5    2 o  491.214   6.3459  652.124   16.843  656.434   24.026  647.960   23.617  492.809   9.0222  489.619   8.9266 3.189056 12.69186 
1 1 1    9    5    4 o  504.873   6.5189  688.809   17.782  679.088   24.880  698.960   25.424  501.233   9.1858  508.513   9.2524 -7.279419 13.03784 
1 1 1    9    5    5 o  623.691   7.7788  1051.52   26.214  1042.23   36.789  1061.10   37.363  620.896   10.965  626.486   11.037 -5.590576 15.55757 
1 1 1    9    5    6 o  810.319   13.968  1775.90   61.163   0.0000   0.0000  1775.90   61.163  ?   ?   810.319   13.968      ?      ? 
1 1 1    9    5    7 o  1320.20   22.277  4722.37  158.924   0.0000   0.0000  4722.37  158.924  ?   ?   1320.20   22.277      ?      ? 
1 1 1    9    5    9 o  1210.45   14.457  3965.29   94.562   0.0000   0.0000  3965.29   94.562  ?   ?   1210.45   14.457      ?      ? 
1 1 1    9    5   10 o  299.107   6.2524  241.809   10.106   0.0000   0.0000  241.809   10.106  ?   ?   299.107   6.2524      ?      ? 
1 1 1    9    5   11 o  1007.01   14.881  2759.40   76.532  2731.98  131.501  2773.44   94.113  1002.44   24.276  1011.58   17.217 -9.137329 29.76170 
1 1 1    9    5   14 o  641.534   7.9619  1113.58   27.600  1106.46   38.839  1120.84   39.229  639.464   11.240  643.603   11.280 -4.138306 15.92377 
1 1 1    9    5   15 o  412.483   7.7817  460.038   17.345   0.0000   0.0000  460.038   17.345  ?   ?   412.483   7.7817      ?      ? 
1 1 1    9    5   16 o  824.060   10.027  1837.94   44.619  1799.30   61.778  1880.09   64.512  815.035   14.027  833.085   14.331 -18.05017 20.05316 
1 1 1    9    5   17 o  239.324   5.5940  154.816   7.2343   0.0000   0.0000  154.816   7.2343  ?   ?   239.324   5.5940      ?      ? 
1 1 1    9    5   18 o  1004.05   12.105  2734.71   65.663  2701.03   91.705  2770.15   94.063  997.739   17.009  1010.37   17.229 -12.63147 24.21030 
1 1 1    9    5   19 o  552.489   6.9974  825.518   20.884  811.761   29.097  840.135   29.992  547.749   9.8305  557.229   9.9606 -9.480347 13.99470 
1 1 1    9    5   20 o  898.068   10.880  2185.06   52.782  2151.09   73.487  2221.26   75.859  890.884   15.265  905.251   15.508 -14.36676 21.76032 
1 1 1    9    5   22 o  640.215   9.8318  1111.61   32.057  1114.84   39.283  1105.18   55.466  641.859   11.326  638.571   16.074 3.288330 19.66365 
1 1 1    9    5   23 o   89.637   7.4907   21.348   2.9161   21.091   3.2561   22.390   6.5548   88.330   6.8218   90.945   13.338 -2.615463 14.98136 
1 1 1    9    5   24 o  233.683   5.4135  144.234   6.1255  155.270   11.822  140.183   7.1620  239.624   9.1298  227.742   5.8197 11.88161 10.82693 
1 1 1    9    5   25 o  920.576   13.697  2302.46   64.312  2283.78  110.861  2311.93   78.955  917.213   22.368  923.939   15.814 -6.725891 27.39345 
1 1 1    9    5   26 o  386.298   5.4047  403.358   11.281  405.854   16.048  400.920   15.862  387.479   7.6645  385.117   7.6223 2.361603 10.80948 
1 1 1    9    5   27 o  1223.61   14.654  4056.13   96.839  4135.54  139.684  3982.65  134.372  1235.09   20.930  1212.13   20.515 22.96533 29.30724 
1 1 1    9    5   28 o  549.828   7.0597  817.362   20.973  810.840   29.424  824.096   29.902  547.601   9.9439  552.055   10.024 -4.454346 14.11942 
1 1 1    9    5   29 o  391.407   7.8113  414.139   16.521   0.0000   0.0000  414.139   16.521  ?   ?   391.407   7.8113      ?      ? 
1 1 1    9    5   30 o  209.186   5.7070  118.093   6.4447  125.428   9.3206  111.374   8.9210  215.400   8.0077  202.972   8.1337 12.42787 11.41410 
1 1 1    9    5   31 f  336.423   6.9088  305.993   12.558  311.261   17.912  300.901   17.612  339.270   9.7706  333.576   9.7705 5.694031 13.81766 
1 1 1    9    5   32 o  1102.62   18.777  3307.09  111.845  3358.11  160.573  3259.01  155.876  1110.82   26.751  1094.42   26.358 16.39746 37.55460 
1 1 1    9    5   33 o  263.418   4.9004  187.510   6.9698  198.208   9.9617  177.251   9.7550  270.778   6.8082  256.058   7.0502 14.71948 9.800842 
1 1 1    9    5   34 o  430.128   6.0205  499.066   13.970  480.134   19.091  520.883   20.495  421.375   8.3846  438.881   8.6420 -17.50552 12.04095 
1 1 1    9    5   35 o  486.459   6.5461  640.042   17.207  640.068   24.334  640.016   24.336  486.469   9.2570  486.449   9.2581 0.2005005E-01 13.09215 
1 1 1    9    5   36 o  909.885   11.106  2244.09   54.597  2264.44   77.919  2224.47   76.523  913.921   15.778  905.849   15.633 8.071960 22.21119 
1 1 1    9    5   37 o  927.083   11.305  2330.40   56.631  2343.82   80.573  2317.30   79.611  929.709   16.038  924.456   15.937 5.253906 22.60986 
1 1 1    9    5   38 o  234.375   5.3138  148.471   6.7277  144.537   9.3764  152.645   9.6588  231.178   7.5059  237.572   7.5238 -6.394760 10.62763 
1 1 1    9    5   39 o  771.774   9.5752  1614.20   39.923  1593.18   55.741  1636.34   57.208  766.633   13.456  776.914   13.627 -10.28174 19.15050 
1 1 1    9    5   40 o  626.269   11.488  1064.47   38.824  1096.40   56.679  1036.26   53.287  635.036   16.517  617.501   15.970 17.53546 22.97503 
1 1 1    9    5   41 o  370.112   8.3332  370.143   16.636  348.198   22.722  395.496   24.423  358.336   11.735  381.887   11.835 -23.55054 16.66634 
1 1 1    9    5   42 o  671.190   10.544  1219.94   35.650  1239.41   63.315  1210.89   43.138  674.318   17.376  668.062   11.950 6.256470 21.08858 
1 1 1    9    5   43 o  346.886   5.4773  325.649   10.264  331.832   14.740  319.829   14.300  350.077   7.7920  343.696   7.6998 6.381256 10.95461 
1 1 1    9    5   44 o  208.151   5.2988  117.283   5.9585  120.184   8.5368  114.526   8.3207  210.660   7.4993  205.643   7.4879 5.017410 10.59757 
1 1 1    9    5   45 o  254.920   5.1255  175.948   7.0589  179.451   10.113  172.620   9.8573  257.391   7.2711  252.449   7.2260 4.942230 10.25106 
1 1 1    9    5   46 o  162.861   5.7496   72.016   5.0543   69.666   7.2395   74.251   7.0597  160.248   8.3604  165.473   7.8953 -5.225708 11.49920 
1 1 1    9    5   47 o  140.801   6.2461   53.818   4.7516   55.165   6.7753   52.514   6.6655  142.538   8.7965  139.065   8.8701 3.472397 12.49227 
1 1 1    9    5   48 o   41.726   11.341   1.4528   3.9972   6.9194   5.7776  -3.5661   5.5360   51.687   17.440   31.764   14.502 19.92306 22.68149 
1 1 1    9    5   49 o  256.282   5.1448  178.127   7.1217  184.159   10.251  172.498   9.9017  260.471   7.2828  252.092   7.2688 8.378922 10.28956 
1 1 1    9    5   50 o  179.310   5.5444   87.140   5.3638   93.837   7.8126   81.168   7.3774  185.817   7.7807  172.803   7.9006 13.01360 11.08874 
1 1 1    9    5   51 o  333.814   5.4926  303.004   9.9065  296.507   13.937  309.639   14.084  330.186   7.8112  337.443   7.7240 -7.256958 10.98521 
1 1 1    9    5   52 o  192.692   5.5395  101.107   5.7673  102.146   8.2341  100.107   8.0804  193.657   7.8686  191.728   7.7994 1.928528 11.07903 
1 1 1    9    5   54 o  225.473   5.2823  138.283   6.4227  143.442   9.4491  133.853   8.7566  229.330   7.6250  221.616   7.3122 7.713959 10.56450 
1 1 1    9    5   55 o  273.674   5.3319  204.436   7.8826  206.947   11.312  202.066   10.990  275.282   7.6045  272.065   7.4757 3.217133 10.66376 
1 1 1    9    5   56 o  252.745   5.3518  174.802   7.3034  168.401   10.392  181.049   10.266  248.096   7.7516  257.394   7.3811 -9.297806 10.70366 
1 1 1    9    5   57 o  112.410   8.0048   35.204   4.8469   33.913   7.0565   36.357   6.6690  110.307   11.838  114.512   10.778 -4.205162 16.00959 
1 1 1    9    5   58 o  109.262   7.9258   33.231   4.6759   34.813   6.7663   31.785   6.4692  111.748   11.205  106.776   11.212 4.972290 15.85165 
1 1 1    9    5   59 f  171.261   6.0302   80.580   5.5700   85.812   8.1880   76.074   7.5993  176.391   8.5904  166.130   8.4652 10.26097 12.06042 
1 1 1    9    5   60 o   57.632   12.576   8.9690   4.6623   15.677   6.9756   3.5531   6.2681   71.460   18.057   43.803   17.509 27.65777 25.15226 
1 1 1    9    5   61 o  235.652   7.6072  156.054   9.6698  164.054   13.558  147.770   13.796  242.125   10.362  229.180   11.140 12.94519 15.21436 
1 1 1    9    5   62 o  287.776   7.8402  233.495   12.184  245.045   17.439  222.477   17.031  294.882   10.944  280.669   11.230 14.21249 15.68040 
1 1 1    9    5   63 o  233.349   7.1958  154.652   8.7341  156.686   11.021  151.216   14.320  236.898   8.6097  229.799   11.532 7.098648 14.39167 
1 1 1    9    5   64 f  156.119   10.617   68.882   8.9567   0.0000   0.0000   68.882   8.9567  ?   ?   156.119   10.617      ?      ? 
1 1 1    9    5   65 o   93.387   11.583   27.202   5.7182   29.380   8.4634   25.373   7.7564   97.464   16.070   89.310   16.686 8.154594 23.16572 
1 1 1    9    5   66 o   79.815   13.618   21.558   5.8087   20.757   8.2915   22.329   8.1400   77.937   19.683   81.692   18.826 -3.754692 27.23695 
1 1 1    9    5   67 o  107.226   10.214   35.691   5.9074   36.816   8.6571   34.711   8.0814  108.485   14.768  105.966   14.113 2.519661 20.42718 
1 1 1    9    6    1 o  1501.46   17.878  6110.29  145.029  6164.82  207.074  6057.79  203.186  1508.01   25.412  1494.91   25.153 13.09729 35.75516 
1 1 1    9    6    2 o  1117.43   13.396  3379.67   80.880  3354.75  113.552  3405.33  115.231  1113.26   18.876  1121.60   19.013 -8.346069 26.79153 
1 1 1    9    6    6 o  1133.18   13.594  3478.12   83.240  3471.94  117.488  3484.35  117.952  1132.17   19.204  1134.18   19.246 -2.016357 27.18813 
1 1 1    9    6    7 o  327.102   4.8562  289.193   8.5834  289.640   12.172  288.752   12.106  327.353   6.8810  326.852   6.8543 0.5016785 9.712358 
1 1 1    9    6    8 o  428.667   6.8960  501.341   15.330  480.856   25.287  513.244   19.276  421.626   11.099  435.709   8.1872 -14.08279 13.79203 
1 1 1    9    6    9 o  339.745   6.8190  312.014   12.519   0.0000   0.0000  312.014   12.519  ?   ?   339.745   6.8190      ?      ? 
1 1 1    9    6   10 o  878.695   12.289  2089.48   58.349   0.0000   0.0000  2089.48   58.349  ?   ?   878.695   12.289      ?      ? 
1 1 1    9    6   11 o  787.431   9.6235  1676.98   40.948   0.0000   0.0000  1676.98   40.948  ?   ?   787.431   9.6235      ?      ? 
1 1 1    9    6   13 o  138.711   5.3663   52.003   4.0223   0.0000   0.0000   52.003   4.0223  ?   ?   138.711   5.3663      ?      ? 
1 1 1    9    6   15 o  514.616   9.3256  716.328   25.933   0.0000   0.0000  716.328   25.933  ?   ?   514.616   9.3256      ?      ? 
1 1 1    9    6   17 o  165.788   5.3411   74.292   4.7849   0.0000   0.0000   74.292   4.7849  ?   ?   165.788   5.3411      ?      ? 
1 1 1    9    6   19 o  688.597   8.5246  1281.08   31.674  1238.54   43.407  1329.53   46.323  676.415   11.876  700.779   12.233 -24.36450 17.04925 
1 1 1    9    6   20 f  678.776   8.4106  1247.11   30.849  1241.26   43.480  1253.03   43.774  677.175   11.882  680.376   11.906 -3.201233 16.82120 
1 1 1    9    6   21 o  446.985   5.9504  539.309   14.355  521.086   19.724  559.834   20.933  438.976   8.3149  454.995   8.5142 -16.01907 11.90083 
1 1 1    9    6   22 o  260.366   5.6220  186.891   7.3543  193.558   8.9775  173.288   12.823  267.599   6.2084  253.132   9.3746 14.46739 11.24403 
1 1 1    9    6   23 o  387.972   6.7746  399.869   12.949  424.550   24.199  389.965   15.329  396.140   11.305  379.803   7.4690 16.33685 13.54916 
1 1 1    9    6   24 o  433.685   7.3258  501.149   15.729  527.477   29.088  490.270   18.698  441.528   12.192  425.843   8.1257 15.68576 14.65166 
1 1 1    9    6   25 o  539.266   9.7864  786.369   28.518   0.0000   0.0000  786.369   28.518  ?   ?   539.266   9.7864      ?      ? 
1 1 1    9    6   26 o  1393.12   16.637  5266.54  125.238  5276.77  177.505  5256.40  176.723  1394.46   23.557  1391.78   23.498 2.679321 33.27309 
1 1 1    9    6   27 o  1237.70   18.205  4143.60  114.127  4209.46  200.605  4112.08  138.773  1243.83   29.846  1231.57   20.853 12.26721 36.40925 
1 1 1    9    6   28 o  794.177   13.692  1709.57   58.757  1710.14   83.126  1709.01   83.063  794.307   19.367  794.047   19.359 0.2604980 27.38311 
1 1 1    9    6   29 o  1139.17   19.360  3529.17  119.172  3542.79  169.208  3515.76  167.868  1141.34   27.436  1137.01   27.322 4.331055 38.71998 
1 1 1    9    6   30 o  355.967   7.1082  341.998   13.656  356.081   19.918  329.504   18.760  362.866   10.158  349.068   9.9459 13.79742 14.21630 
1 1 1    9    6   31 o  609.182   9.4281  997.166   29.135  1025.22   51.231  983.753   35.420  615.296   15.409  603.069   10.869 12.22717 18.85625 
1 1 1    9    6   32 o  364.610   5.4325  359.231   10.699  353.161   14.881  365.726   15.394  361.425   7.6193  367.794   7.7455 -6.369019 10.86493 
1 1 1    9    6   33 o  1205.13   17.730  3965.11  109.425  3989.23  135.005  3918.92  186.830  1211.97   20.614  1198.29   28.853 13.68604 35.46076 
1 1 1    9    6   34 o  814.969   10.026  1797.93   44.137  1828.52   63.467  1769.29   61.420  821.662   14.295  808.277   14.063 13.38550 20.05211 
1 1 1    9    6   35 o  558.455   7.2827  843.508   21.972  856.963   31.506  830.769   30.657  562.784   10.360  554.126   10.238 8.658447 14.56549 
1 1 1    9    6   36 f  681.935   8.5936  1258.83   31.664  1269.17   45.175  1248.84   44.394  684.682   12.210  679.188   12.096 5.494263 17.18727 
1 1 1    9    6   37 o  698.624   8.7743  1321.88   33.124  1320.38   46.808  1323.38   46.881  698.228   12.406  699.020   12.411 -0.7918091 17.54860 
1 1 1    9    6   38 o  962.688   11.739  2515.89   61.054  2545.77   87.419  2487.44   85.307  968.235   16.708  957.140   16.494 11.09558 23.47805 
1 1 1    9    6   39 o  593.393   7.6719  953.246   24.594  939.927   34.319  967.305   35.261  589.143   10.780  597.644   10.919 -8.501038 15.34371 
1 1 1    9    6   40 o  375.600   8.4514  382.524   17.151  383.784   24.466  381.306   24.050  376.199   12.035  375.002   11.868 1.197327 16.90270 
1 1 1    9    6   41 o  411.904   8.7546  460.333   19.485  454.955   27.487  465.766   27.626  409.480   12.422  414.328   12.339 -4.848267 17.50919 
1 1 1    9    6   42 o  286.866   6.8248  223.405   9.6246  221.982   17.762  223.996   11.452  286.043   11.491  287.688   7.3665 -1.644745 13.64964 
1 1 1    9    6   43 o  304.833   5.2678  251.463   8.6744  256.812   12.465  246.439   12.079  307.972   7.4903  301.695   7.4092 6.277008 10.53566 
1 1 1    9    6   44 o  560.652   7.3506  853.319   22.269  851.205   31.427  855.450   31.559  559.956   10.386  561.347   10.404 -1.390076 14.70116 
1 1 1    9    6   45 o  170.167   5.6706   78.540   5.2110   75.806   7.3993   81.231   7.3400  167.214   8.1890  173.119   7.8462 -5.905365 11.34124 
1 1 1    9    6   46 o  242.974   5.1254  159.753   6.7230  166.742   9.7678  153.461   9.2675  248.010   7.2885  237.937   7.2079 10.07323 10.25070 
1 1 1    9    6   47 o  162.337   5.8104   71.338   5.0841   78.856   7.3766   64.535   7.0171  170.483   8.0073  154.192   8.4218 16.29022 11.62080 
1 1 1    9    6   48 o  218.222   5.1962  128.903   6.1197  137.656   8.8909  121.022   8.4362  225.251   7.3045  211.193   7.3923 14.05777 10.39242 
1 1 1    9    6   49 o  334.293   5.4214  303.311   9.7888  312.543   14.105  294.733   13.596  339.190   7.6955  329.397   7.6386 9.792786 10.84289 
1 1 1    9    6   50 f  245.832   5.2207  164.090   6.9332  167.817   9.9494  160.572   9.6667  248.539   7.4082  243.124   7.3581 5.415359 10.44142 
1 1 1    9    6   51 o  388.206   5.8091  410.182   12.183  402.526   16.999  418.267   17.469  384.496   8.1818  391.917   8.2486 -7.421539 11.61812 
1 1 1    9    6   52 o   39.089   11.462   0.8819   4.0523   3.3209   5.8286  -1.3999   5.6377   43.399   17.031   34.778   15.344 8.620811 22.92377 
1 1 1    9    6   53 o  198.067   5.4177  106.675   5.7879  116.132   8.3869   98.075   7.9977  206.462   7.5175  189.672   7.8032 16.78957 10.83532 
1 1 1    9    6   54 o  246.806   5.2754  166.120   7.0327  159.559   9.8610  172.911   10.033  241.821   7.5464  251.791   7.3737 -9.970322 10.55084 
1 1 1    9    6   55 f   98.807   8.7227   27.320   4.6195   23.817   6.6089   30.667   6.4597   92.360   13.242  105.254   11.357 -12.89379 17.44542 
1 1 1    9    6   56 o  284.479   5.3852  221.444   8.2764  220.748   11.823  222.112   11.590  283.999   7.7041  284.958   7.5266 -0.9593811 10.77046 
1 1 1    9    6   57 o  126.976   7.0940   44.537   4.8652   46.073   7.0064   43.105   6.7610  129.086   10.044  124.866   10.020 4.220078 14.18792 
1 1 1    9    6   58 o  279.784   5.3794  214.738   8.1315  213.097   11.581  216.333   11.420  278.684   7.6904  280.884   7.5239 -2.200470 10.75882 
1 1 1    9    6   59 o  125.645   7.4479   44.049   5.0534   42.216   7.1379   45.892   7.1555  122.943   10.744  128.347   10.317 -5.404556 14.89577 
1 1 1    9    6   60 o  340.681   7.8894  325.225   14.517  325.225   20.236  325.225   20.838  340.867   10.986  340.496   11.326 0.3705750 15.77884 
1 1 1    9    6   61 o  103.062   12.095   31.886   6.4798   39.459   9.4385   25.135   8.9117  116.389   15.007   89.736   18.972 26.65356 24.18978 
1 1 1    9    6   62 o  128.399   9.1872   45.366   6.2341   36.414   7.9260   59.887   10.095  112.483   13.040  144.315   12.945 -31.83239 18.37450 
1 1 1    9    6   63 o  129.374   8.4413   47.821   5.8585   56.133   8.5737   40.540   8.0240  140.262   11.312  118.486   12.532 21.77662 16.88263 
1 1 1    9    6   64 o  104.930   10.985   33.166   5.9295   25.380   8.2751   41.381   8.5006   90.274   17.596  119.586   13.155 -29.31213 21.96988 
1 1 1    9    6   65 o  161.060   7.3508   75.101   6.3915   74.237   9.2005   75.907   8.8857  159.901   10.648  162.219   10.137 -2.317871 14.70152 
1 1 1    9    6   66 o   37.663   11.986  -2.1529   5.3588  -7.6425   7.8296   2.6849   7.3501   32.746   15.660   42.580   18.149 -9.833099 23.97127 
1 1 1    9    6   67 o  246.417   6.1070  172.271   8.1073  185.594   12.051  161.258   10.957  254.901   8.7494  237.932   8.5224 16.96898 12.21410 
1 1 1    9    7    0 o  977.107   11.792  2584.23   62.261  2583.13   88.062  2585.32   88.038  976.899   16.682  977.315   16.670 -0.4159546 23.58375 
1 1 1    9    7    1 o  767.108   9.4126  1591.42   39.010  1572.64   54.539  1611.09   55.820  762.482   13.237  771.735   13.385 -9.253052 18.82520 
1 1 1    9    7    2 o  722.078   8.9122  1409.45   34.758  1383.31   48.272  1437.60   50.089  715.137   12.492  729.019   12.715 -13.88232 17.82440 
1 1 1    9    7    3 o  1237.51   14.816  4150.02   99.041  4089.34  137.967  4214.55  142.264  1228.21   20.788  1246.80   21.116 -18.59497 29.63142 
1 1 1    9    7    4 o  1216.48   14.584  4012.73   95.868  4017.14  135.811  4008.35  135.347  1217.15   20.649  1215.82   20.601 1.322876 29.16844 
1 1 1    9    7    5 o  445.650   8.4238  536.950   20.286   0.0000   0.0000  536.950   20.286  ?   ?   445.650   8.4238      ?      ? 
1 1 1    9    7    8 o  1051.83   14.453  3058.38   73.525  2876.13  137.382  3131.54   87.040  1028.36   24.723  1075.29   14.980 -46.92407 28.90673 
1 1 1    9    7    9 o  515.482   9.3644  718.631   26.084   0.0000   0.0000  718.631   26.084  ?   ?   515.482   9.3644      ?      ? 
1 1 1    9    7   10 o  190.926   4.5547   98.513   4.6991   0.0000   0.0000   98.513   4.6991  ?   ?   190.926   4.5547      ?      ? 
1 1 1    9    7   11 f  736.625   9.0968  1467.49   36.210   0.0000   0.0000  1467.49   36.210  ?   ?   736.625   9.0968      ?      ? 
1 1 1    9    7   12 o  671.083   16.749  1220.95   60.737  1220.95   60.737   0.0000   0.0000  671.083   16.749  ?   ?       ?      ? 
1 1 1    9    7   13 o  624.516   7.8242  1055.40   26.404  1052.96   37.315  1057.84   37.367  623.793   11.070  625.239   11.060 -1.446228 15.64848 
1 1 1    9    7   15 o  427.758   5.7747  494.299   13.335  506.528   19.369  483.279   18.387  432.777   8.2824  422.740   8.0492 10.03696 11.54938 
1 1 1    9    7   16 o  555.920   7.0829  836.230   21.277  834.138   30.082  838.325   30.099  555.224   10.027  556.617   10.007 -1.393188 14.16585 
1 1 1    9    7   17 f  422.032   5.7202  481.499   13.040  487.788   18.745  475.600   18.153  424.698   8.1678  419.366   8.0104 5.331726 11.44032 
1 1 1    9    7   18 o  856.061   10.426  1985.26   48.218  1960.73   67.391  2010.99   69.020  850.658   14.661  861.464   14.827 -10.80566 20.85135 
1 1 1    9    7   19 o  507.826   6.5863  697.498   18.071  700.914   25.806  694.211   25.313  509.042   9.3817  506.610   9.2468 2.431274 13.17268 
1 1 1    9    7   20 o  313.531   4.7342  265.745   8.0197  260.124   11.316  271.418   11.368  310.198   6.7507  316.864   6.6393 -6.665527 9.468448 
1 1 1    9    7   21 o  605.774   9.3908  1002.12   29.301  1023.22   36.514  963.964   49.102  614.992   10.988  596.555   15.232 18.43671 18.78153 
1 1 1    9    7   22 o  371.838   7.3846  373.775   14.838   0.0000   0.0000  373.775   14.838  ?   ?   371.838   7.3846      ?      ? 
1 1 1    9    7   23 o  635.389   9.8422  1091.77   31.639  1095.95   55.593  1089.77   38.478  636.075   16.174  634.703   11.219 1.371948 19.68445 
1 1 1    9    7   24 o  328.343   6.9167  291.405   12.272   0.0000   0.0000  291.405   12.272  ?   ?   328.343   6.9167      ?      ? 
1 1 1    9    7   25 o  329.473   5.9036  295.070   10.090  287.613   16.706  299.352   12.660  326.151   9.4789  332.794   7.0399 -6.643311 11.80717 
1 1 1    9    7   26 o  493.284   8.9725  653.914   23.810  614.640   31.891  703.378   35.790  476.674   12.381  509.894   12.989 -33.21960 17.94493 
1 1 1    9    7   27 o  325.225   6.6702  285.887   11.720  278.829   16.406  293.243   16.748  321.126   9.4546  329.323   9.4114 -8.197083 13.34030 
1 1 1    9    7   28 o  1094.53   16.122  3254.15   90.161  3259.73  110.830  3243.24  155.034  1096.73   18.701  1092.33   26.266 4.396240 32.24306 
1 1 1    9    7   29 o  360.294   5.3162  350.903   10.350  350.284   14.615  351.526   14.660  359.975   7.5132  360.612   7.5232 -0.6375427 10.63235 
1 1 1    9    7   30 o  468.162   6.2979  592.599   15.932  594.394   22.631  590.836   22.432  468.864   8.9325  467.460   8.8805 1.403595 12.59572 
1 1 1    9    7   31 f  491.489   6.5736  652.460   17.442  671.031   25.331  635.715   24.053  498.127   9.4107  484.852   9.1808 13.27451 13.14714 
1 1 1    9    7   32 o  1422.82   20.924  5528.71  151.760  5522.52  262.163  5531.83  186.114  1419.75   34.172  1425.90   24.155 -6.142456 41.84711 
1 1 1    9    7   33 o  187.554   5.8809   91.695   5.8092   80.895   7.2892  110.495   9.6172  172.972   7.7986  202.136   8.8047 -29.16368 11.76186 
1 1 1    9    7   34 o  909.610   13.589  2238.36   62.805  2223.88   76.618  2268.02  109.652  905.850   15.653  913.370   22.217 -7.519714 27.17700 
1 1 1    9    7   35 o  394.593   5.8560  421.035   12.486  426.489   17.766  415.711   17.551  397.118   8.2790  392.068   8.2842 5.050018 11.71194 
1 1 1    9    7   36 o  246.908   5.2244  164.850   6.9701  163.815   9.8910  165.871   9.8237  246.137   7.4366  247.679   7.3400 -1.542038 10.44887 
1 1 1    9    7   37 o  484.961   6.6310  636.039   17.370  649.760   24.999  623.233   24.152  490.009   9.4414  479.913   9.3134 10.09628 13.26199 
1 1 1    9    7   38 o  587.892   7.6291  935.791   24.236  935.544   34.333  936.036   34.216  587.812   10.809  587.971   10.769 -0.1593018 15.25819 
1 1 1    9    7   39 o  595.620   9.5107  973.636   29.222  1001.66   36.565  924.099   48.615  608.010   11.129  583.230   15.426 24.77972 19.02145 
1 1 1    9    7   40 o  478.898   9.5971  621.563   24.804  643.919   36.211  601.802   34.044  486.964   13.761  470.833   13.381 16.13062 19.19429 
1 1 1    9    7   41 f  630.833   11.628  1082.98   39.616  1103.83   57.177  1063.74   54.941  636.614   16.621  625.052   16.267 11.56195 23.25629 
1 1 1    9    7   42 o  366.387   7.1985  357.544   12.992  379.730   24.278  348.641   15.380  373.950   12.015  358.825   7.9319 15.12515 14.39693 
1 1 1    9    7   43 o  319.506   5.3500  276.271   9.2334  268.666   12.851  284.386   13.275  314.965   7.5507  324.046   7.5815 -9.080444 10.70009 
1 1 1    9    7   44 o   97.550   9.0786   26.940   4.4468   17.994   6.2645   36.025   6.3132   79.909   15.060  115.191   10.142 -35.28246 18.15719 
1 1 1    9    7   45 o   41.445   11.487   1.9983   3.9627  -1.5620   5.6338   5.4843   5.5748   34.863   15.363   48.027   17.081 -13.16383 22.97313 
1 1 1    9    7   46 o  388.326   5.7778  409.177   12.124  407.429   17.170  410.914   17.121  387.493   8.2001  389.159   8.1419 -1.665741 11.55563 
1 1 1    9    7   47 o  516.202   6.9310  724.804   19.333  723.255   27.358  726.350   27.324  515.645   9.8187  516.759   9.7853 -1.114075 13.86209 
1 1 1    9    7   48 o  344.102   5.5213  321.414   10.264  328.844   14.725  314.393   14.314  347.963   7.8313  340.241   7.7853 7.721222 11.04267 
1 1 1    9    7   49 o  298.275   5.3136  241.557   8.5622  247.357   12.275  236.061   11.949  301.757   7.5281  294.792   7.5012 6.964539 10.62730 
1 1 1    9    7   50 o  368.718   5.6702  369.349   11.288  380.904   16.371  358.874   15.587  374.185   8.0964  363.250   7.9407 10.93442 11.34046 
1 1 1    9    7   51 o  181.539   5.6230   89.784   5.5139   87.227   7.8156   92.317   7.7801  178.941   8.0829  184.136   7.8191 -5.195053 11.24596 
1 1 1    9    7   52 o  139.611   6.4468   53.350   4.8565   51.145   6.9553   55.448   6.7841  136.738   9.4132  142.483   8.8113 -5.744583 12.89369 
1 1 1    9    7   53 o  222.747   5.3353  135.150   6.4192  138.668   9.2414  131.870   8.9231  225.536   7.5829  219.958   7.5074 5.578705 10.67056 
1 1 1    9    7   54 o  118.984   7.2831   39.027   4.6783   37.837   6.6888   40.167   6.5458  117.147   10.567  120.821   10.026 -3.674438 14.56614 
1 1 1    9    7   55 o  398.071   6.0138  434.268   12.933  437.167   18.530  431.515   18.058  399.310   8.5876  396.831   8.4213 2.479126 12.02769 
1 1 1    9    7   56 o  109.752   7.9052   33.484   4.6834   32.306   6.6912   34.615   6.5574  107.775   11.489  111.730   10.861 -3.954407 15.81042 
1 1 1    9    7   57 o  103.826   8.4564   30.624   4.6613   25.830   6.8536   34.751   6.3583   95.744   13.247  111.909   10.515 -16.16434 16.91270 
1 1 1    9    7   58 o   41.319   12.276   0.6127   4.5200   4.8198   7.6138  -1.6769   5.6168   48.881   19.375   33.757   15.080 15.12373 24.55132 
1 1 1    9    7   59 o  162.891   7.9908   74.438   7.0314   75.068   9.8509   73.784   10.040  163.679   11.138  162.103   11.461 1.576370 15.98165 
1 1 1    9    7   60 o  155.412   8.6389   68.116   7.2384   74.797   10.493   62.050   9.9983  162.829   11.925  147.996   12.502 14.83292 17.27775 
1 1 1    9    7   61 o  122.617   8.2640   42.760   5.4436   38.206   7.7732   47.142   7.6257  115.817   12.420  129.416   10.904 -13.59831 16.52794 
1 1 1    9    7   62 o   58.729   13.151   10.406   5.0842   4.5673   7.2064   16.192   7.1740   46.402   18.694   71.057   18.502 -24.65523 26.30187 
1 1 1    9    7   63 o  110.314   9.7178   35.515   5.7849   34.628   8.3225   36.344   8.0465  108.727   14.165  111.900   13.307 -3.173317 19.43558 
1 1 1    9    7   64 o   49.461   13.691   5.4854   5.5547   1.1533   7.8762   9.7725   7.8351   42.481   18.452   56.440   20.231 -13.95873 27.38212 
1 1 1    9    7   65 o  110.968   10.488   38.711   5.9494   29.578   8.4310   47.769   8.3965   95.149   17.023  126.788   12.256 -31.63896 20.97560 
1 1 1    9    7   66 o  120.840   9.2103   44.011   5.9628   39.101   8.5858   48.587   8.2874  113.347   14.018  128.333   11.951 -14.98612 18.42057 
1 1 1    9    8    0 o  361.715   5.2498  353.707   10.261  352.671   14.549  354.731   14.473  361.187   7.4546  362.242   7.3939 -1.054779 10.49956 
1 1 1    9    8    1 o  716.307   8.8719  1388.32   34.336  1373.91   48.089  1403.31   49.042  712.521   12.490  720.094   12.603 -7.572693 17.74384 
1 1 1    9    8    4 o  898.342   10.934  2185.66   53.073  2163.37   74.366  2208.79   75.767  893.686   15.399  902.998   15.528 -9.312500 21.86891 
1 1 1    9    8    5 o  1155.82   19.657  3624.63  122.773   0.0000   0.0000  3624.63  122.773  ?   ?   1155.82   19.657      ?      ? 
1 1 1    9    8    6 o  1025.18   12.398  2848.95   68.675  2870.86   97.943  2827.76   96.320  1029.04   17.614  1021.32   17.453 7.723572 24.79614 
1 1 1    9    8    7 o  747.984   9.2892  1514.40   37.542  1501.68   52.691  1527.52   53.505  744.799   13.092  751.169   13.182 -6.370178 18.57832 
1 1 1    9    8    8 o  395.842   6.5955  423.532   13.374  424.549   22.919  423.007   16.468  396.138   10.707  395.545   7.7047 0.5938416 13.19100 
1 1 1    9    8    9 o  173.962   4.3736   81.784   4.1113   0.0000   0.0000   81.784   4.1113  ?   ?   173.962   4.3736      ?      ? 
1 1 1    9    8   10 o  737.959   9.1106  1472.87   36.330   0.0000   0.0000  1472.87   36.330  ?   ?   737.959   9.1106      ?      ? 
1 1 1    9    8   11 o  318.357   6.7235  273.990   11.566   0.0000   0.0000  273.990   11.566  ?   ?   318.357   6.7235      ?      ? 
1 1 1    9    8   12 o  157.843   5.2838   64.811   4.0850   73.401   7.8206   61.587   4.7905  164.741   8.7852  150.945   5.8732 13.79628 10.56755 
1 1 1    9    8   13 o  795.914   9.8033  1716.08   42.163  1714.72   59.617  1717.45   59.637  795.597   13.867  796.232   13.861 -0.6348877 19.60662 
1 1 1    9    8   14 o  431.610   5.8574  503.687   13.659  495.405   19.127  512.306   19.513  427.991   8.2705  435.229   8.2968 -7.238037 11.71488 
1 1 1    9    8   15 o  370.567   5.2688  371.234   10.549  364.908   14.791  377.783   15.050  367.355   7.4510  373.779   7.4513 -6.424377 10.53751 
1 1 1    9    8   19 o  415.297   8.0286  466.348   18.017   0.0000   0.0000  466.348   18.017  ?   ?   415.297   8.0286      ?      ? 
1 1 1    9    8   20 o  910.523   13.708  2211.49   62.043  2155.58   73.935  2344.59  114.075  892.079   15.338  928.967   22.725 -36.88849 27.41654 
1 1 1    9    8   21 o  734.055   9.0971  1453.21   35.979  1522.49   53.385  1395.55   48.701  749.998   13.173  718.112   12.550 31.88666 18.19421 
1 1 1    9    8   22 o  1133.71   27.242  3497.75  166.886   0.0000   0.0000  3497.75  166.886  ?   ?   1133.71   27.242      ?      ? 
1 1 1    9    8   23 o  704.760   12.279  1339.09   46.573  1414.64   69.704  1278.15   62.597  722.580   17.852  686.941   16.863 35.63831 24.55738 
1 1 1    9    8   24 o   92.884   7.0411   22.575   3.4214   26.284   5.7562   20.550   4.2545   98.585   10.805   87.183   9.0308 11.40258 14.08221 
1 1 1    9    8   25 f  537.099   9.6575  779.777   28.002  797.072   40.670  764.189   38.611  542.743   13.867  531.454   13.445 11.28931 19.31499 
1 1 1    9    8   26 f  102.300   5.9004   27.757   3.2304   33.249   4.9685   23.735   4.2518  110.901   8.2908   93.699   8.3975 17.20272 11.80070 
1 1 1    9    8   27 o  611.612   7.7589  1010.87   25.628  987.425   35.517  1036.34   37.016  604.225   10.878  618.998   11.067 -14.77350 15.51778 
1 1 1    9    8   28 o  422.788   5.8915  483.255   13.459  481.207   19.058  485.293   19.011  421.894   8.3598  423.682   8.3037 -1.788879 11.78295 
1 1 1    9    8   29 o  843.120   10.352  1924.40   47.161  1919.19   66.718  1929.60   66.672  841.978   14.664  844.263   14.614 -2.285583 20.70304 
1 1 1    9    8   30 o  543.826   7.0984  799.755   20.858  790.288   29.254  809.544   29.747  540.555   10.015  547.098   10.062 -6.543274 14.19674 
1 1 1    9    8   31 o  932.902   11.358  2358.04   57.246  2331.02   80.071  2386.29   81.874  927.452   15.977  938.352   16.147 -10.89954 22.71544 
1 1 1    9    8   32 f  360.460   6.6035  343.148   12.061  375.000   21.549  328.616   14.555  372.295   10.711  348.625   7.7261 23.66925 13.20705 
1 1 1    9    8   33 o  321.658   6.2717  283.786   10.567  262.613   16.837  297.547   13.573  311.576   10.000  331.739   7.5718 -20.16336 12.54334 
1 1 1    9    8   34 o  488.423   7.9463  647.799   20.104  653.288   25.140  638.063   33.483  491.425   9.4673  485.422   12.765 6.003265 15.89253 
1 1 1    9    8   35 o  1021.70   15.149  2842.67   79.214  2852.17   97.590  2824.32  135.622  1025.25   17.615  1018.15   24.651 7.099670 30.29784 
1 1 1    9    8   36 o  407.399   6.0149  446.919   13.202  475.073   19.619  423.622   17.847  419.061   8.6639  395.737   8.3457 23.32452 12.02972 
1 1 1    9    8   37 o  598.977   7.7675  971.230   25.136  982.289   35.978  960.686   35.132  602.299   11.054  595.655   10.915 6.643127 15.53493 
1 1 1    9    8   38 o  950.357   11.622  2453.12   59.663  2487.67   85.664  2420.57   83.145  956.810   16.569  943.904   16.301 12.90521 23.24326 
1 1 1    9    8   39 o  393.580   7.5141  430.058   15.201  456.804   19.130  384.234   25.039  410.788   8.6180  376.371   12.312 34.41687 15.02821 
1 1 1    9    8   40 o  298.622   8.2490  240.868   13.283  262.162   19.480  222.365   18.159  310.914   11.595  286.331   11.736 24.58301 16.49791 
1 1 1    9    8   41 f  391.733   8.6482  415.183   18.274  391.216   24.977  442.793   26.808  379.616   12.176  403.849   12.284 -24.23199 17.29633 
1 1 1    9    8   42 o  555.060   7.3108  835.781   21.926  826.234   30.777  845.620   31.244  551.846   10.321  558.274   10.357 -6.428345 14.62162 
1 1 1    9    8   43 o   87.962   9.7509   21.455   4.4060   28.325   6.4505   15.446   6.0326  102.077   11.694   73.846   15.606 28.23112 19.50172 
1 1 1    9    8   44 o  142.718   6.3084   55.233   4.8481   49.209   6.7475   61.661   6.9704  134.655   9.2732  150.781   8.5550 -16.12625 12.61670 
1 1 1    9    8   45 f  196.660   5.4222  104.916   5.7602  107.237   8.1088  102.551   8.1840  198.867   7.5458  194.452   7.7887 4.415588 10.84446 
1 1 1    9    8   46 o  204.542   5.3374  113.411   5.8976  109.748   8.2526  117.234   8.4313  201.164   7.5919  207.921   7.5043 -6.756195 10.67483 
1 1 1    9    8   47 o  287.761   5.2361  224.619   8.1397  227.278   11.678  222.107   11.351  289.407   7.4674  286.116   7.3421 3.290558 10.47227 
1 1 1    9    8   48 f  421.989   6.1293  484.329   13.974  490.106   20.013  478.834   19.519  424.424   8.7262  419.554   8.6098 4.870453 12.25869 
1 1 1    9    8   49 o  206.609   5.4227  115.917   6.0500  122.130   8.6815  110.050   8.4358  212.001   7.5782  201.217   7.7585 10.78499 10.84542 
1 1 1    9    8   50 o  528.266   7.1293  762.383   20.345  776.760   29.214  748.843   28.350  533.064   10.142  523.469   10.022 9.595642 14.25860 
1 1 1    9    8   51 o  221.454   5.3070  132.883   6.3340  146.688   9.3017  120.947   8.6491  232.148   7.4150  210.760   7.5944 21.38828 10.61401 
1 1 1    9    8   52 o  142.597   6.4697   55.565   4.9828   57.969   7.1571   53.304   6.9413  145.597   9.0969  139.597   9.2019 5.999969 12.93940 
1 1 1    9    8   53 o  374.017   5.7762  382.270   11.672  380.765   16.632  383.730   16.385  373.251   8.2464  374.782   8.0904 -1.531097 11.55235 
1 1 1    9    8   54 o  271.384   5.3278  201.129   7.8123  198.439   11.062  203.807   11.035  269.551   7.5943  273.218   7.4744 -3.667389 10.65551 
1 1 1    9    8   55 o  200.348   5.6113  109.848   6.0728  113.459   8.7166  106.443   8.4655  203.549   7.9248  197.148   7.9464 6.400818 11.22267 
1 1 1    9    8   56 o  139.454   6.6966   53.544   5.0401   57.406   7.2634   49.958   6.9996  144.344   9.3122  134.565   9.6261 9.778534 13.39327 
1 1 1    9    8   57 o  189.301   7.3249   99.659   7.4747   96.689   10.850  102.342   10.312  186.405   10.771  192.197   9.9295 -5.791733 14.64977 
1 1 1    9    8   58 o  195.320   7.3221  106.152   7.7177  113.896   11.071   98.829   10.765  202.374   10.123  188.265   10.581 14.10873 14.64414 
1 1 1    9    8   59 o  119.441   9.8624   40.632   6.3523   44.347   9.2686   37.342   8.7231  124.658   13.760  114.224   14.133 10.43467 19.72471 
1 1 1    9    8   60 o  189.394   5.9796   98.972   6.1094  107.118   8.8932   91.693   8.4071  196.801   8.3626  181.986   8.5491 14.81541 11.95914 
1 1 1    9    8   61 o   39.647   12.134   0.4034   4.7911   1.6845   6.9351  -0.7663   6.6267   41.757   17.708   37.537   16.595 4.219830 24.26895 
1 1 1    9    8   62 o   52.970   13.001   7.4502   4.8892   13.459   7.2201   2.3614   6.6445   64.353   19.261   41.588   17.468 22.76551 26.00196 
1 1 1    9    8   63 o  131.882   8.5900   49.899   6.1077   48.198   8.8320   51.457   8.4555  129.423   12.629  134.341   11.648 -4.918198 17.18009 
1 1 1    9    8   64 o  135.666   8.2859   53.681   6.0603   52.570   8.8064   54.682   8.3527  133.945   12.167  137.387   11.251 -3.441757 16.57180 
1 1 1    9    8   65 f   72.342   12.590   18.081   5.4324   8.9264   8.1977   25.249   7.2538   53.597   20.417   91.087   14.737 -37.49074 25.17981 
1 1 1    9    8   66 o   53.354   12.924   7.3524   5.2831   17.921   7.8998  -1.1986   7.1060   70.427   19.886   36.282   16.512 34.14540 25.84727 
1 1 1    9    9    0 o  1045.05   12.622  2958.75   71.227  2896.24   98.576  3027.03  103.031  1033.55   17.650  1056.54   18.047 -22.99524 25.24312 
1 1 1    9    9    1 o  1052.32   12.732  3002.23   72.389  2969.57  101.251  3036.38  103.535  1046.49   17.905  1058.15   18.107 -11.66174 25.46491 
1 1 1    9    9    2 o  374.535   5.4296  378.969   10.984  369.789   15.258  388.844   15.825  369.832   7.6349  379.238   7.7221 -9.406311 10.85920 
1 1 1    9    9    3 o  247.432   4.5972  165.510   6.1449  160.610   8.6722  170.451   8.7083  243.753   6.5840  251.112   6.4177 -7.359604 9.194324 
1 1 1    9    9    5 o  1322.68   15.888  4750.99  113.485  4649.91  157.138  4861.19  164.070  1308.07   22.231  1337.29   22.705 -29.22058 31.77632 
1 1 1    9    9    7 o  127.050   5.0637   43.538   3.4723   46.309   5.0476   41.050   4.7840  130.878   7.1373  123.222   7.1849 7.656387 10.12735 
1 1 1    9    9    8 o  397.354   6.4968  426.818   13.950   0.0000   0.0000  426.818   13.950  ?   ?   397.354   6.4968      ?      ? 
1 1 1    9    9    9 o  382.889   7.5806  396.391   15.684   0.0000   0.0000  396.391   15.684  ?   ?   382.889   7.5806      ?      ? 
1 1 1    9    9   10 f  301.455   7.1509  245.697   11.649   0.0000   0.0000  245.697   11.649  ?   ?   301.455   7.1509      ?      ? 
1 1 1    9    9   11 o  370.868   7.4254  371.905   14.881   0.0000   0.0000  371.905   14.881  ?   ?   370.868   7.4254      ?      ? 
1 1 1    9    9   12 o  318.671   5.6975  269.817   8.2450  283.559   17.437  265.860   9.3571  323.725   9.9680  313.618   5.5215 10.10748 11.39507 
1 1 1    9    9   14 o  335.690   7.0986  304.676   12.877   0.0000   0.0000  304.676   12.877  ?   ?   335.690   7.0986      ?      ? 
1 1 1    9    9   15 o  527.288   6.8631  752.140   19.555  749.404   27.648  754.878   27.662  526.327   9.7212  528.248   9.6906 -1.920715 13.72622 
1 1 1    9    9   16 o  568.894   7.2902  875.645   22.411  874.126   31.747  877.153   31.640  568.401   10.336  569.388   10.284 -0.9874878 14.58040 
1 1 1    9    9   17 o  670.839   10.276  1216.79   35.031  1225.90   61.075  1212.33   42.765  672.408   16.809  669.270   11.825 3.137573 20.55187 
1 1 1    9    9   18 o  218.406   6.0472  129.020   7.0890  128.694   10.653  129.279   9.4966  218.147   9.0375  218.664   8.0372 -0.5167389 12.09434 
1 1 1    9    9   19 o  249.997   9.1352  169.009   12.341  169.009   12.341   0.0000   0.0000  249.997   9.1352  ?   ?       ?      ? 
1 1 1    9    9   20 o  1245.85   29.984  4231.98  201.859  4231.98  201.859   0.0000   0.0000  1245.85   29.984  ?   ?       ?      ? 
1 1 1    9    9   21 o  317.859   9.2345  273.198   15.861   0.0000   0.0000  273.198   15.861  ?   ?   317.859   9.2345      ?      ? 
1 1 1    9    9   22 o  640.609   9.7514  1120.95   32.556  1151.64   41.252  1070.27   53.011  652.490   11.700  628.728   15.603 23.76178 19.50271 
1 1 1    9    9   23 o  320.650   6.9969  277.900   12.123   0.0000   0.0000  277.900   12.123  ?   ?   320.650   6.9969      ?      ? 
1 1 1    9    9   24 o  1145.86   13.780  3557.71   85.317  3582.99  121.695  3533.28  119.644  1149.85   19.586  1141.88   19.390 7.970215 27.56065 
1 1 1    9    9   25 o  193.121   4.7346  100.788   4.9116  100.963   7.3603  100.647   6.5946  193.269   7.0477  192.973   6.3241 0.2952118 9.469146 
1 1 1    9    9   26 o  305.080   6.9996  251.577   11.539   0.0000   0.0000  251.577   11.539  ?   ?   305.080   6.9996      ?      ? 
1 1 1    9    9   27 o  312.431   5.0579  263.190   8.5206  273.459   12.555  254.422   11.601  318.064   7.3048  306.799   6.9979 11.26495 10.11586 
1 1 1    9    9   28 o  322.527   5.1520  281.176   8.9725  281.596   12.942  280.788   12.450  322.756   7.4208  322.298   7.1486 0.4580078 10.30392 
1 1 1    9    9   29 o  478.280   6.4626  618.523   16.702  610.586   23.503  626.620   23.738  475.180   9.1533  481.380   9.1256 -6.200043 12.92518 
1 1 1    9    9   30 o  313.574   5.1926  265.479   8.7879  272.708   12.809  259.049   12.079  317.599   7.4635  309.549   7.2213 8.049438 10.38515 
1 1 1    9    9   31 o  359.573   7.7157  349.579   14.992   0.0000   0.0000  349.579   14.992  ?   ?   359.573   7.7157      ?      ? 
1 1 1    9    9   32 o  451.362   6.3051  550.891   15.377  543.090   21.607  558.897   21.889  448.124   8.9229  454.600   8.9105 -6.475494 12.61011 
1 1 1    9    9   33 o  480.695   8.0192  608.161   19.216  669.820   35.458  582.520   22.865  497.323   13.194  464.068   9.1182 33.25421 16.03831 
1 1 1    9    9   34 o  199.181   5.6956  107.017   6.1216  112.430   8.9513  102.260   8.3903  203.900   8.1242  194.462   7.9847 9.437943 11.39112 
1 1 1    9    9   35 o  525.541   8.4453  749.613   22.952  753.773   28.620  742.117   38.419  527.765   10.036  523.317   13.586 4.447998 16.89054 
1 1 1    9    9   36 o  252.051   5.4161  171.740   7.3721  174.236   10.645  169.440   10.219  253.806   7.7618  250.296   7.5558 3.510391 10.83217 
1 1 1    9    9   37 o  475.387   6.5629  611.645   16.858  608.948   23.902  614.315   23.781  474.340   9.3254  476.433   9.2371 -2.093658 13.12579 
1 1 1    9    9   38 o  175.366   8.6385   84.720   7.0552   86.051   8.1623   80.788   14.030  178.302   8.4716  172.429   15.057 5.872894 17.27699 
1 1 1    9    9   39 o  932.739   16.404  2385.13   82.681  2387.39  117.077  2382.88  116.781  933.169   23.218  932.310   23.181 0.8589478 32.80860 
1 1 1    9    9   40 f  418.668   9.0997  475.863   20.584  483.559   29.405  468.468   28.824  421.982   12.896  415.354   12.842 6.627808 18.19944 
1 1 1    9    9   41 o  389.188   7.4722  401.199   14.212  433.784   27.026  388.743   16.709  399.527   12.518  378.848   8.1621 20.67883 14.94434 
1 1 1    9    9   42 o  453.361   6.3698  557.099   15.600  563.721   22.378  550.838   21.760  455.969   9.0823  450.754   8.9336 5.214478 12.73956 
1 1 1    9    9   43 o  155.098   6.1656   65.166   5.1627   66.808   7.4947   63.682   7.1219  156.948   8.8371  153.248   8.6003 3.700485 12.33127 
1 1 1    9    9   44 o  309.396   5.3872  259.247   8.9990  266.220   13.056  252.937   12.421  313.342   7.7108  305.451   7.5253 7.891174 10.77436 
1 1 1    9    9   45 o  324.687   5.4443  285.501   9.5437  295.735   13.854  276.259   13.166  330.206   7.7642  319.168   7.6339 11.03763 10.88854 
1 1 1    9    9   46 o  267.137   5.2903  193.572   7.6363  191.680   10.734  195.510   10.866  265.817   7.4729  268.457   7.4904 -2.640106 10.58066 
1 1 1    9    9   47 o  301.103   5.4184  246.199   8.8150  240.809   12.418  251.672   12.515  297.771   7.7177  304.435   7.6075 -6.664368 10.83683 
1 1 1    9    9   48 o   57.082   11.671   8.8081   4.2759   2.2503   6.2245   14.668   5.8839   42.656   17.307   71.507   15.661 -28.85104 23.34123 
1 1 1    9    9   49 o  389.771   5.8884  413.246   12.396  421.370   17.864  405.701   17.216  393.438   8.4027  386.104   8.2515 7.333221 11.77679 
1 1 1    9    9   50 o  306.169   5.3954  254.415   8.9107  267.564   13.084  243.040   12.169  313.498   7.7234  298.839   7.5360 14.65860 10.79082 
1 1 1    9    9   51 o  294.827   5.3616  236.751   8.5412  236.849   12.156  236.655   12.004  294.873   7.6288  294.781   7.5359 0.9185791E-01 10.72327 
1 1 1    9    9   52 o  393.952   5.9569  423.853   12.677  429.364   18.196  418.656   17.672  396.403   8.4948  391.501   8.3534 4.901642 11.91386 
1 1 1    9    9   53 f  144.707   6.4802   57.507   5.0617   55.345   7.2285   59.587   7.0900  141.973   9.4223  147.441   8.8990 -5.468185 12.96039 
1 1 1    9    9   54 o   43.026   12.268   2.7840   4.4058   3.7222   6.2693   1.8684   6.1930   44.787   17.635   41.265   17.060 3.522503 24.53674 
1 1 1    9    9   55 o   91.872   11.666   26.938   5.1969   17.538   8.5792   32.386   6.5316   75.758   20.471  107.987   11.193 -32.22844 23.33160 
1 1 1    9    9   56 o  256.217   7.1519  181.873   9.8951  178.423   14.168  185.158   13.826  253.708   10.335  258.727   9.8891 -5.019714 14.30382 
1 1 1    9    9   57 o   92.036   12.257   24.870   5.9530   29.122   8.8436   21.347   8.0500  100.262   16.323   83.809   18.289 16.45294 24.51398 
1 1 1    9    9   58 o  103.065   9.7447   29.864   5.3665   24.411   7.1614   36.847   8.1046   92.257   14.365  113.873   13.171 -21.61566 19.48940 
1 1 1    9    9   59 o  102.391   8.8551   29.624   4.8875   32.596   7.0707   26.904   6.7636  107.426   12.180   97.356   12.856 10.06961 17.71023 
1 1 1    9    9   60 f  137.185   7.3609   52.538   5.4436   56.727   8.0361   48.985   7.4000  142.191   10.459  132.178   10.361 10.01352 14.72173 
1 1 1    9    9   61 o   37.602   11.815  -1.0388   4.8026   0.6182   7.1195  -2.4224   6.5057   40.326   17.530   34.879   15.845 5.447315 23.62958 
1 1 1    9    9   62 f   98.880   10.821   29.533   5.5778   25.546   8.0221   33.265   7.7608   90.824   16.970  106.935   13.431 -16.11150 21.64136 
1 1 1    9    9   63 o   45.554   13.411   2.9688   5.4772   6.0577   8.2915   0.5773   7.2956   50.502   20.155   40.606   17.698 9.895615 26.82204 
1 1 1    9    9   64 o   51.177   13.427   7.6447   5.4738   0.9022   8.0605   13.415   7.4569   40.861   18.171   61.493   19.772 -20.63250 26.85357 
1 1 1    9    9   65 o  120.529   9.0319   42.649   5.8443   47.081   8.9062   39.298   7.7450  125.680   13.114  115.378   12.423 10.30145 18.06373 
1 1 1    9   10    0 o  1099.76   13.273  3281.90   78.877  3275.55  111.380  3288.30  111.717  1098.69   18.761  1100.82   18.781 -2.130737 26.54577 
1 1 1    9   10    1 o  395.096   5.6873  421.658   12.135  409.803   16.808  434.567   17.538  389.303   7.9897  400.889   8.0960 -11.58603 11.37452 
1 1 1    9   10    3 f  421.086   8.2776  479.481   18.835   0.0000   0.0000  479.481   18.835  ?   ?   421.086   8.2776      ?      ? 
1 1 1    9   10    4 o  124.685   5.4499   41.817   3.6576   44.416   5.4728   39.720   4.9169  128.165   7.9023  121.204   7.5073 6.960693 10.89981 
1 1 1    9   10    5 o  402.393   5.7411  437.797   12.481  440.775   17.840  434.941   17.468  403.731   8.1773  401.056   8.0605 2.675751 11.48216 
1 1 1    9   10    6 o  152.292   5.1207   62.707   4.2129   64.628   5.9790   60.813   5.9371  154.609   7.1566  149.975   7.3260 4.634659 10.24146 
1 1 1    9   10    7 o  694.890   9.8886  1325.80   33.016  1269.14   62.660  1347.58   38.847  684.044   16.952  705.737   10.186 -21.69348 19.77711 
1 1 1    9   10    8 o  415.131   5.8500  465.839   13.123   0.0000   0.0000  465.839   13.123  ?   ?   415.131   5.8500      ?      ? 
1 1 1    9   10    9 o  680.545   12.008  1253.96   44.158   0.0000   0.0000  1253.96   44.158  ?   ?   680.545   12.008      ?      ? 
1 1 1    9   10   10 o  270.959   6.4247  198.486   9.4069   0.0000   0.0000  198.486   9.4069  ?   ?   270.959   6.4247      ?      ? 
1 1 1    9   10   11 f  418.645   6.6863  473.837   15.126   0.0000   0.0000  473.837   15.126  ?   ?   418.645   6.6863      ?      ? 
1 1 1    9   10   12 f  306.857   5.6160  254.518   9.3122   0.0000   0.0000  254.518   9.3122  ?   ?   306.857   5.6160      ?      ? 
1 1 1    9   10   13 o  1175.03   28.396  3770.27  180.301   0.0000   0.0000  3770.27  180.301  ?   ?   1175.03   28.396      ?      ? 
1 1 1    9   10   14 o  754.356   13.204  1539.69   53.686  1608.78   79.410  1481.53   72.860  769.816   19.090  738.895   18.248 30.92157 26.40841 
1 1 1    9   10   15 o  397.386   7.9126  426.933   16.968  434.685   24.738  420.045   23.318  400.776   11.423  393.996   10.952 6.780548 15.82513 
1 1 1    9   10   16 o  242.010   6.5354  158.533   8.5059  156.982   12.630  159.820   11.507  240.914   9.7016  243.106   8.7593 -2.192062 13.07085 
1 1 1    9   10   17 o  747.512   13.053  1515.17   52.727  1506.98   74.410  1523.42   74.724  745.483   18.472  749.542   18.449 -4.058960 26.10697 
1 1 1    9   10   19 o  274.682   6.0811  205.553   8.4851  208.641   10.403  199.414   14.666  277.823   6.9294  271.541   9.9952 6.281921 12.16228 
1 1 1    9   10   20 o  441.396   7.4473  533.179   16.851  506.757   28.435  547.480   20.920  432.794   12.159  449.997   8.6031 -17.20334 14.89453 
1 1 1    9   10   21 o  715.883   10.936  1392.51   39.979  1371.62   68.641  1403.24   49.182  711.570   17.852  720.196   12.638 -8.626343 21.87225 
1 1 1    9   10   23 o  387.458   5.6025  405.834   11.729  399.223   16.580  412.457   16.595  384.297   7.9839  390.618   7.8620 -6.320923 11.20509 
1 1 1    9   10   24 o  768.205   9.5027  1595.81   39.427  1563.27   54.720  1630.96   56.859  760.075   13.323  776.335   13.554 -16.26025 19.00548 
1 1 1    9   10   25 o  765.335   9.4782  1584.84   39.195  1568.45   55.003  1601.75   55.867  761.318   13.370  769.352   13.438 -8.033813 18.95634 
1 1 1    9   10   26 o  1075.45   12.985  3133.96   75.457  3109.80  105.974  3158.81  107.466  1071.25   18.307  1079.64   18.421 -8.388428 25.97044 
1 1 1    9   10   27 o  983.184   11.948  2616.12   63.434  2554.73   87.726  2683.40   91.834  971.134   16.717  995.233   17.076 -24.09875 23.89676 
1 1 1    9   10   28 o  711.730   8.9206  1369.70   34.289  1336.04   47.541  1406.20   49.503  702.633   12.521  720.827   12.709 -18.19373 17.84117 
1 1 1    9   10   29 o  483.843   6.6163  633.202   17.296  630.527   24.636  635.803   24.289  482.830   9.4426  484.855   9.2705 -2.025208 13.23269 
1 1 1    9   10   30 o  932.200   11.381  2354.75   57.322  2327.71   80.249  2382.92   81.907  926.750   16.025  937.651   16.166 -10.90076 22.76221 
1 1 1    9   10   31 o  764.951   9.5486  1584.34   39.468  1570.70   55.534  1598.27   56.103  761.624   13.494  768.277   13.514 -6.653381 19.09727 
1 1 1    9   10   32 o  580.369   7.5734  911.481   23.751  907.267   33.632  915.674   33.545  579.028   10.749  581.711   10.672 -2.682983 15.14680 
1 1 1    9   10   33 o  167.201   6.4373   77.240   5.6683   58.495   8.1349   94.931   7.9026  147.034   10.239  187.367   7.8053 -40.33272 12.87454 
1 1 1    9   10   34 o  537.161   8.6450  787.400   24.024  760.360   39.912  802.763   30.085  529.684   13.944  544.638   10.222 -14.95386 17.28993 
1 1 1    9   10   35 o  162.433   6.9814   71.417   6.0789   71.451   8.1024   71.374   9.1943  162.495   9.2276  162.371   10.479 0.1240082 13.96280 
1 1 1    9   10   36 o  331.305   6.5013  297.546   11.331  299.270   14.478  294.820   18.201  332.608   8.0554  330.002   10.207 2.606506 13.00265 
1 1 1    9   10   37 o  380.720   7.4983  400.469   14.568  417.924   18.088  368.243   24.576  392.947   8.5185  368.493   12.342 24.45410 14.99668 
1 1 1    9   10   38 o  640.130   11.873  1115.44   41.067  1108.33   57.678  1122.75   58.486  638.080   16.728  642.180   16.854 -4.099487 23.74647 
1 1 1    9   10   39 o  304.076   8.6750  250.988   14.248  259.910   20.178  242.117   20.121  309.489   12.066  298.664   12.468 10.82474 17.35002 
1 1 1    9   10   40 o  240.902   7.3353  157.697   8.5328  156.734   16.219  158.066   10.034  240.184   12.497  241.620   7.6848 -1.435577 14.67056 
1 1 1    9   10   41 o  321.142   5.4849  278.017   9.4955  256.920   12.931  302.710   13.989  307.980   7.7697  334.303   7.7439 -26.32349 10.96982 
1 1 1    9   10   42 o  144.390   6.5274   56.436   5.0752   57.934   7.5385   55.194   6.8636  146.118   9.5476  142.661   8.9035 3.456848 13.05479 
1 1 1    9   10   43 o  220.705   5.4406  131.402   6.4719  144.441   9.5234  120.212   8.8221  230.835   7.6349  210.575   7.7531 20.25987 10.88129 
1 1 1    9   10   44 o  235.473   5.4048  150.467   6.8728  146.401   9.8039  154.395   9.6374  232.325   7.8093  238.622   7.4742 -6.297363 10.80965 
1 1 1    9   10   45 o  473.315   6.5959  608.637   16.864  618.059   24.239  599.797   23.478  476.840   9.4069  469.790   9.2485 7.049988 13.19178 
1 1 1    9   10   46 o  293.199   5.3975  233.380   8.5512  233.700   12.156  233.067   12.031  293.392   7.6677  293.007   7.5986 0.3849182 10.79506 
1 1 1    9   10   47 o  157.974   6.2611   67.794   5.3235   69.345   7.9273   66.520   7.1844  159.572   9.1935  156.377   8.5022 3.194717 12.52228 
1 1 1    9   10   48 f  266.538   5.3334  193.113   7.6769  184.927   10.833  201.371   10.881  260.832   7.6859  272.243   7.3963 -11.41037 10.66670 
1 1 1    9   10   49 f  263.711   5.3767  189.273   7.6553  187.142   11.021  191.260   10.642  262.234   7.7773  265.188   7.4263 -2.953552 10.75345 
1 1 1    9   10   50 o  264.043   5.3954  189.835   7.6965  191.435   11.018  188.311   10.756  265.112   7.6911  262.974   7.5689 2.138153 10.79078 
1 1 1    9   10   51 o   59.670   12.121   9.3880   4.4520   16.230   6.6681   3.8852   5.9802   74.542   16.939   44.798   17.342 29.74456 24.24195 
1 1 1    9   10   52 o   65.839   10.461   12.617   4.4219   0.4002   6.4551   23.417   6.0696   39.773   16.982   91.905   12.222 -52.13259 20.92276 
1 1 1    9   10   53 o  289.800   5.5047  229.532   8.6181  229.307   12.323  229.747   12.057  289.623   7.8737  289.977   7.6949 -0.3541260 11.00939 
1 1 1    9   10   54 o  141.258   8.6542   56.050   6.5448   52.185   9.7187   59.257   8.8532  136.413   13.185  146.103   11.214 -9.690430 17.30844 
1 1 1    9   10   55 o  350.575   7.7895  341.289   14.745  342.342   21.278  340.315   20.453  350.917   11.221  350.233   10.807 0.6835632 15.57892 
1 1 1    9   10   56 o  122.654   9.6682   42.082   6.3670   48.559   9.6403   37.072   8.4795  130.937   13.625  114.370   13.721 16.56697 19.33638 
1 1 1    9   10   57 o  169.274   6.4442   79.135   5.8851   81.540   8.6158   77.032   8.0577  171.603   9.2915  166.945   8.9320 4.657150 12.88849 
1 1 1    9   10   58 o  165.530   6.5882   75.126   5.8600   86.462   8.7997   66.093   7.8552  176.674   9.2174  154.385   9.4159 22.28854 13.17645 
1 1 1    9   10   59 f  157.144   6.8649   68.188   5.7994   78.129   8.6748   60.155   7.7982  167.460   9.5865  146.827   9.8288 20.63315 13.72976 
1 1 1    9   10   60 o  101.039   9.7714   29.584   5.3049   28.508   7.8272   30.498   7.2147   98.933   14.641  103.146   12.944 -4.212967 19.54273 
1 1 1    9   10   61 o   47.654   13.201   4.6684   5.1090   9.2927   7.6223   0.8961   6.8843   55.359   19.942   39.948   17.302 15.41026 26.40181 
1 1 1    9   10   62 o  121.205   9.2419   43.387   5.8919   35.527   8.7745   49.841   7.9511  109.881   14.778  132.530   11.103 -22.64909 18.48386 
1 1 1    9   10   63 o   39.279   12.442  -0.5608   5.4479  -1.5189   8.0657   0.2431   7.3878   39.001   17.688   39.558   17.503 -0.5573616 24.88470 
1 1 1    9   10   64 o   79.199   12.540   19.677   5.7143   33.838   8.7471   9.1339   7.5475  104.813   15.444   53.585   19.762 51.22741 25.08063 
1 1 1    9   10   65 o  124.253   9.3383   47.293   6.1574   43.898   9.3654   49.878   8.1718  118.772   14.592  129.735   11.657 -10.96307 18.67660 
1 1 1    9   11    0 o  486.661   9.0948  640.785   23.901  656.306   34.573  626.576   33.078  492.289   12.997  481.033   12.726 11.25623 18.18952 
1 1 1    9   11    1 o  375.557   7.5760  380.682   15.350  398.874   22.507  364.865   20.987  383.915   10.849  367.198   10.577 16.71658 15.15198 
1 1 1    9   11    2 o  252.303   6.3092  172.145   8.5996  173.716   12.321  170.653   12.008  253.423   8.9975  251.183   8.8470 2.239487 12.61836 
1 1 1    9   11    3 o  321.268   6.9425  279.178   12.051  273.198   16.902  285.360   17.187  317.769   9.8430  324.767   9.7934 -6.998383 13.88506 
1 1 1    9   11    4 o  395.462   7.8080  423.166   16.683  416.892   23.331  429.730   23.863  392.466   11.001  398.458   11.083 -5.991913 15.61607 
1 1 1    9   11    5 o  517.844   9.5119  726.414   26.616  721.622   37.449  731.306   37.835  516.120   13.428  519.567   13.476 -3.446838 19.02372 
1 1 1    9   11    6 o  308.733   6.7453  256.818   11.227  273.649   16.581  242.568   15.257  318.031   9.6481  299.435   9.4292 18.59595 13.49054 
1 1 1    9   11    7 o  495.236   9.1625  664.100   24.515  656.081   34.252  672.523   35.102  492.179   12.879  498.293   13.036 -6.113983 18.32501 
1 1 1    9   11    9 o  626.942   11.216  1063.80   37.997   0.0000   0.0000  1063.80   37.997  ?   ?   626.942   11.216      ?      ? 
1 1 1    9   11   12 o  189.532   7.6868   97.130   7.8726   0.0000   0.0000   97.130   7.8726  ?   ?   189.532   7.6868      ?      ? 
1 1 1    9   11   13 o  499.278   8.0768  681.012   20.681  653.829   34.960  695.646   25.651  491.409   13.165  507.146   9.3601 -15.73636 16.15368 
1 1 1    9   11   14 o  326.454   7.2732  288.111   12.830   0.0000   0.0000  288.111   12.830  ?   ?   326.454   7.2732      ?      ? 
1 1 1    9   11   16 o  767.755   13.435  1595.55   55.737   0.0000   0.0000  1595.55   55.737  ?   ?   767.755   13.435      ?      ? 
1 1 1    9   11   17 o  699.515   17.630  1326.13   66.639   0.0000   0.0000  1326.13   66.639  ?   ?   699.515   17.630      ?      ? 
1 1 1    9   11   18 o  145.241   12.139   57.072   9.5270   0.0000   0.0000   57.072   9.5270  ?   ?   145.241   12.139      ?      ? 
1 1 1    9   11   19 o  489.101   13.296  647.297   35.141  647.297   35.141   0.0000   0.0000  489.101   13.296  ?   ?       ?      ? 
1 1 1    9   11   20 o  184.362   10.573   91.914   10.533   91.914   10.533   0.0000   0.0000  184.362   10.573  ?   ?       ?      ? 
1 1 1    9   11   21 o  358.909   5.4541  348.268   10.575  344.143   15.059  352.281   14.855  356.810   7.8104  361.008   7.6149 -4.198273 10.90817 
1 1 1    9   11   23 o  425.265   6.0282  488.967   13.852  485.254   19.653  492.633   19.526  423.659   8.5848  426.871   8.4649 -3.212738 12.05632 
1 1 1    9   11   25 o  1036.63   12.598  2911.64   70.570  2912.79  100.069  2910.50   99.535  1036.83   17.861  1036.43   17.772 0.3925781 25.19671 
1 1 1    9   11   27 o  855.749   10.513  1982.13   48.595  1944.78   67.572  2022.13   69.936  847.421   14.756  864.077   14.978 -16.65601 21.02616 
1 1 1    9   11   28 o  377.087   5.7523  382.575   11.692  352.831   15.908  417.513   17.241  361.228   8.1500  392.947   8.1199 -31.71951 11.50457 
1 1 1    9   11   29 o  258.961   7.1215  181.298   9.9654   0.0000   0.0000  181.298   9.9654  ?   ?   258.961   7.1215      ?      ? 
1 1 1    9   11   30 o  628.234   8.0850  1067.54   27.439  1046.11   38.261  1090.23   39.373  621.749   11.388  634.718   11.480 -12.96906 16.17008 
1 1 1    9   11   31 o  465.587   6.5366  586.144   16.435  592.216   23.717  580.535   22.795  467.897   9.3803  463.276   9.1059 4.621368 13.07315 
1 1 1    9   11   32 o  684.786   8.6986  1269.62   32.187  1263.34   45.524  1275.89   45.516  683.091   12.333  686.481   12.270 -3.390198 17.39714 
1 1 1    9   11   33 o  1080.62   13.118  3171.38   76.583  3128.12  106.948  3216.90  109.715  1073.10   18.444  1088.15   18.659 -15.05298 26.23594 
1 1 1    9   11   34 o  398.531   7.2790  426.191   14.706  440.766   25.927  419.278   17.856  403.382   11.895  393.681   8.3936 9.701782 14.55806 
1 1 1    9   11   35 o  343.424   6.8066  319.829   11.940  317.342   20.528  321.101   14.679  342.313   11.098  344.535   7.8843 -2.221802 13.61320 
1 1 1    9   11   37 o  409.562   12.733  455.180   28.180  455.180   28.180   0.0000   0.0000  409.562   12.733  ?   ?       ?      ? 
1 1 1    9   11   38 o  782.347   14.046  1671.06   59.331  1716.22   86.071  1630.18   81.899  792.296   20.104  772.397   19.622 19.89954 28.09268 
1 1 1    9   11   39 o  104.802   13.136   36.788   6.1068   19.018   11.385   43.966   7.2359   82.286   24.075  127.318   10.517 -45.03250 26.27167 
1 1 1    9   11   40 o  333.634   5.6089  301.498   10.107  288.340   14.201  315.002   14.387  326.245   8.0553  341.023   7.8071 -14.77780 11.21772 
1 1 1    9   11   41 o   80.052   11.222   18.505   4.6628   14.401   7.1445   21.551   6.1542   71.131   18.436   88.974   12.800 -17.84266 22.44394 
1 1 1    9   11   42 o  376.125   8.1867  383.627   16.639   0.0000   0.0000  383.627   16.639  ?   ?   376.125   8.1867      ?      ? 
1 1 1    9   11   43 o  110.990   8.3168   33.593   4.9526   33.446   7.4513   33.709   6.6287  110.714   12.455  111.266   11.025 -0.5524521 16.63353 
1 1 1    9   11   44 o  212.971   5.4929  122.604   6.3017  128.309   9.3623  117.878   8.5208  217.462   7.9673  208.479   7.5637 8.983292 10.98574 
1 1 1    9   11   45 o  218.625   5.5168  129.213   6.5011  137.518   9.6202  122.232   8.8197  225.049   7.9108  212.202   7.6916 12.84729 11.03362 
1 1 1    9   11   46 o  214.664   5.6233  125.315   6.5166  122.939   9.3682  127.542   9.0708  212.660   8.1523  216.669   7.7475 -4.008575 11.24653 
1 1 1    9   11   47 o  355.000   5.7454  342.694   11.019  345.147   15.770  340.354   15.403  356.221   8.1926  353.778   8.0574 2.443665 11.49085 
1 1 1    9   11   48 o  276.059   5.4299  207.340   8.0955  205.244   11.608  209.326   11.296  274.666   7.8207  277.452   7.5345 -2.785980 10.85970 
1 1 1    9   11   49 o   32.878   10.635  -4.3002   4.3418  -8.2768   6.6412  -1.3319   5.7378   30.542   14.554   35.215   15.511 -4.673191 21.27049 
1 1 1    9   11   50 o   79.455   10.842   17.629   4.5404   21.960   6.8814   14.290   6.0424   88.841   14.334   70.068   16.271 18.77364 21.68422 
1 1 1    9   11   51 o  241.137   5.5469  158.253   7.2153  166.367   10.592  151.228   9.8554  246.858   7.9407  235.417   7.7473 11.44066 11.09387 
1 1 1    9   11   52 o  210.512   6.7580  122.702   7.3685  118.356   12.188  125.207   9.2506  207.025   10.895  214.000   7.9995 -6.975571 13.51609 
1 1 1    9   11   53 o  205.136   7.4016  116.429   8.1747  114.707   12.031  117.905   11.141  203.513   10.940  206.759   9.9721 -3.245529 14.80319 
1 1 1    9   11   54 o  154.018   8.4369   66.169   6.9550   65.901   10.566   66.374   9.2388  153.405   12.746  154.630   11.057 -1.224091 16.87381 
1 1 1    9   11   55 o  220.141   5.7841  132.557   6.8649  141.905   10.133  124.627   9.3332  227.252   8.2515  213.030   8.1077 14.22163 11.56820 
1 1 1    9   11   56 o   52.094   13.142   6.9928   4.7389   9.8646   6.9967   4.5587   6.4415   57.994   19.185   46.194   17.966 11.80036 26.28410 
1 1 1    9   11   57 o  111.733   8.4540   35.028   5.0890   37.011   7.5595   33.385   6.8819  114.512   12.217  108.954   11.689 5.557358 16.90804 
1 1 1    9   11   58 o   73.673   12.327   16.430   4.8425   19.817   7.1893   13.617   6.5518   80.811   17.002   66.534   17.852 14.27670 24.65312 
1 1 1    9   11   59 o   58.441   13.393   9.8125   5.0557   14.975   7.4595   5.4263   6.8758   68.867   19.281   48.016   18.593 20.85038 26.78557 
1 1 1    9   11   60 o   33.892   11.140  -6.3319   5.0622  -0.2416   7.4139 -11.6512   6.9287   39.808   17.578   27.975   13.690 11.83384 22.28053 
1 1 1    9   11   61 o   81.055   13.063   20.755   5.5877   23.351   8.2680   18.572   7.5810   85.872   18.373   76.238   18.573 9.634361 26.12564 
1 1 1    9   11   62 o  180.431   7.0458   91.915   6.8561   88.966   9.9009   94.633   9.5033  177.365   10.330  183.497   9.5842 -6.132187 14.09163 
1 1 1    9   11   63 o  158.481   7.7837   74.040   6.5926   64.807   9.5553   82.428   9.1075  147.887   11.957  169.074   9.9686 -21.18704 15.56742 
1 1 1    9   11   64 o  277.048   6.1466  216.240   9.1664  225.045   13.673  209.054   12.353  281.740   8.9814  272.357   8.3938 9.383087 12.29313 
1 1 1    9   12    7 o  472.327   7.3430  594.811   16.205  621.171   32.825  586.316   18.635  478.981   12.682  465.672   7.4055 13.30899 14.68608 
1 1 1    9   12    8 o  125.188   6.2095   42.365   4.2006   0.0000   0.0000   42.365   4.2006  ?   ?   125.188   6.2095      ?      ? 
1 1 1    9   12    9 o  605.248   7.8017  990.513   25.516   0.0000   0.0000  990.513   25.516  ?   ?   605.248   7.8017      ?      ? 
1 1 1    9   12   10 o  275.396   6.1901  205.009   9.2117   0.0000   0.0000  205.009   9.2117  ?   ?   275.396   6.1901      ?      ? 
1 1 1    9   12   11 o  297.819   6.9816  239.773   11.236   0.0000   0.0000  239.773   11.236  ?   ?   297.819   6.9816      ?      ? 
1 1 1    9   12   12 o  382.197   5.7414  394.807   11.857   0.0000   0.0000  394.807   11.857  ?   ?   382.197   5.7414      ?      ? 
1 1 1    9   12   13 o  506.124   7.8948  676.115   18.090  724.099   38.594  662.604   20.479  517.179   13.810  495.069   7.6552 22.10916 15.78960 
1 1 1    9   12   15 o  358.160   5.5409  346.539   10.716  353.034   15.509  340.607   14.823  361.365   7.9424  354.954   7.7281 6.411346 11.08175 
1 1 1    9   12   16 o  969.284   11.819  2544.47   61.897  2522.36   86.773  2567.36   88.317  965.010   16.641  973.558   16.788 -8.548645 23.63762 
1 1 1    9   12   17 o  385.741   11.612  402.477   24.204   0.0000   0.0000  402.477   24.204  ?   ?   385.741   11.612      ?      ? 
1 1 1    9   12   18 o  1071.46   16.076  3052.78   85.289  3268.02  158.238  2964.65  101.255  1096.73   26.701  1046.19   17.911 50.53674 32.15180 
1 1 1    9   12   19 o  410.321   12.061  455.405   26.743  455.405   26.743   0.0000   0.0000  410.321   12.061  ?   ?       ?      ? 
1 1 1    9   12   20 o  544.989   7.1973  802.870   21.192  786.116   29.636  820.398   30.314  539.174   10.172  550.804   10.185 -11.63062 14.39457 
1 1 1    9   12   21 o  1085.77   18.579  3194.72  109.008   0.0000   0.0000  3194.72  109.008  ?   ?   1085.77   18.579      ?      ? 
1 1 1    9   12   22 o  858.113   10.551  1991.84   48.898  1949.74   67.775  2037.54   70.616  848.680   14.779  867.545   15.063 -18.86542 21.10246 
1 1 1    9   12   24 o  1297.68   15.605  4563.01  109.293  4433.78  150.123  4708.74  159.423  1278.25   21.734  1317.11   22.400 -38.86255 31.21085 
1 1 1    9   12   25 o  580.710   10.677  912.170   33.505   0.0000   0.0000  912.170   33.505  ?   ?   580.710   10.677      ?      ? 
1 1 1    9   12   26 o  364.611   5.7053  359.449   11.238  348.383   15.831  370.688   15.955  358.951   8.1617  370.270   7.9741 -11.31879 11.41050 
1 1 1    9   12   27 o  607.379   7.8736  998.202   25.841  988.526   36.436  1008.00   36.655  604.416   11.156  610.343   11.114 -5.926697 15.74727 
1 1 1    9   12   28 o  743.601   9.3447  1496.81   37.540  1507.76   53.747  1486.39   52.456  746.242   13.329  740.961   13.101 5.281067 18.68939 
1 1 1    9   12   29 o  423.562   8.6176  485.177   19.724   0.0000   0.0000  485.177   19.724  ?   ?   423.562   8.6176      ?      ? 
1 1 1    9   12   30 o  281.350   5.5937  214.609   8.4780  205.256   12.314  223.037   11.690  275.496   8.2719  287.204   7.5322 -11.70828 11.18740 
1 1 1    9   12   31 o  687.049   8.7438  1277.01   32.447  1244.04   45.049  1312.56   46.772  677.849   12.299  696.249   12.432 -18.40051 17.48752 
1 1 1    9   12   32 o  833.977   14.567  1885.78   65.646   0.0000   0.0000  1885.78   65.646  ?   ?   833.977   14.567      ?      ? 
1 1 1    9   12   33 o  265.649   7.4813  190.861   10.739   0.0000   0.0000  190.861   10.739  ?   ?   265.649   7.4813      ?      ? 
1 1 1    9   12   34 o  496.547   8.6008  673.967   21.786  686.405   26.851  650.000   37.272  503.556   9.8678  489.538   14.090 14.01846 17.20169 
1 1 1    9   12   35 o  794.584   20.166  1722.97   86.584   0.0000   0.0000  1722.97   86.584  ?   ?   794.584   20.166      ?      ? 
1 1 1    9   12   36 o  218.626   9.9975  128.598   11.641  162.500   17.345  100.811   15.703  244.677   13.118  192.574   15.090 52.10353 19.99503 
1 1 1    9   12   37 f  303.824   11.918  250.450   19.566  250.450   19.566   0.0000   0.0000  303.824   11.918  ?   ?       ?      ? 
1 1 1    9   12   38 o  367.819   7.3795  357.974   13.319  388.288   25.175  346.192   15.696  378.094   12.322  357.544   8.1238 20.54987 14.75906 
1 1 1    9   12   39 o  276.425   5.5594  206.128   8.2750  216.656   12.336  197.513   11.158  282.798   8.0723  270.052   7.6464 12.74539 11.11884 
1 1 1    9   12   40 o  360.345   5.7976  351.693   11.276  356.440   16.386  347.422   15.542  362.632   8.3620  358.059   8.0328 4.572662 11.59517 
1 1 1    9   12   41 o  104.916   9.2787   31.159   5.0540   24.402   7.7361   36.190   6.6754   94.454   15.157  115.379   10.707 -20.92539 18.55737 
1 1 1    9   12   42 o  120.184   7.9262   39.558   5.1177   36.304   7.4338   42.491   7.0560  115.396   11.922  124.973   10.449 -9.576721 15.85234 
1 1 1    9   12   43 o  212.300   5.6423  121.403   6.4448  131.805   9.6806  113.123   8.6371  220.392   8.1287  204.208   7.8272 16.18333 11.28452 
1 1 1    9   12   44 o  157.867   6.4382   67.451   5.4693   71.091   8.1915   64.523   7.3469  161.662   9.3771  154.072   8.8245 7.589478 12.87642 
1 1 1    9   12   45 o  164.408   8.3770   73.497   7.4421   0.0000   0.0000   73.497   7.4421  ?   ?   164.408   8.3770      ?      ? 
1 1 1    9   12   46 f  194.065   5.9035  102.642   6.1502  100.732   9.1933  104.190   8.2744  192.347   8.8450  195.784   7.8212 -3.437256 11.80702 
1 1 1    9   12   47 o  168.524   6.3266   77.461   5.7219   76.952   8.5929   77.867   7.6696  167.938   9.4690  169.111   8.3929 -1.172852 12.65319 
1 1 1    9   12   48 o  135.124   7.3820   50.575   5.3107   46.263   8.0192   53.944   7.0878  129.747   11.438  140.501   9.3357 -10.75322 14.76408 
1 1 1    9   12   49 o   89.003   10.582   23.018   4.8340   18.249   7.1712   26.989   6.5444   79.109   17.261   98.896   12.246 -19.78722 21.16376 
1 1 1    9   12   50 o  211.171   6.8334  120.190   7.3815  128.739   12.869  115.998   9.0111  216.208   11.015  206.133   8.0899 10.07549 13.66672 
1 1 1    9   12   51 o  200.386   7.5966  106.181   8.0118  131.914   13.309   91.554   10.034  218.422   11.276  182.350   10.183 36.07169 15.19322 
1 1 1    9   12   52 o  179.158   7.9443   86.738   7.5690  101.374   12.088   77.297   9.7079  191.097   11.706  167.220   10.744 23.87648 15.88864 
1 1 1    9   12   53 o  254.769   5.6459  177.606   7.7669  185.045   11.242  170.813   10.743  259.855   8.0061  249.682   7.9627 10.17348 11.29170 
1 1 1    9   12   54 o   47.173   12.274   2.6982   4.6201   11.069   7.1339  -3.3490   6.0636   61.149   19.305   33.198   15.164 27.95184 24.54830 
1 1 1    9   12   55 o   40.622   12.037   0.2331   4.6287   5.0116   6.9027  -3.6712   6.2394   47.969   18.614   33.276   15.268 14.69293 24.07475 
1 1 1    9   12   56 o   46.664   13.020   4.3837   4.8867   2.7093   7.0845   5.9033   6.7492   44.148   18.249   49.180   18.575 -5.032509 26.03985 
1 1 1    9   12   57 o  164.663   6.7120   74.450   5.9404   83.954   8.9645   67.010   7.9319  173.912   9.5391  155.415   9.4449 18.49709 13.42392 
1 1 1    9   12   58 f  142.473   7.5185   57.526   5.7249   52.045   8.4621   62.153   7.7741  135.674   11.542  149.271   9.6380 -13.59674 15.03710 
1 1 1    9   12   59 o   51.212   13.602   6.7271   5.1455   9.3576   7.6118   4.5136   6.9826   56.162   19.961   46.263   18.485 9.898880 27.20496 
1 1 1    9   12   60 o  126.429   8.5047   46.001   5.7761   45.212   8.5904   46.651   7.8036  124.992   12.719  127.867   11.294 -2.875107 17.00939 
1 1 1    9   12   61 o  110.187   14.724   35.702   8.7666   35.702   8.7666   0.0000   0.0000  110.187   14.724  ?   ?       ?      ? 
1 1 1    9   12   62 o   44.407   12.784  -0.2283   5.6398   11.962   8.3912 -10.2725   7.6167   58.674   20.947   30.141   14.663 28.53239 25.56890 
1 1 1    9   12   63 o   68.169   14.055   15.549   5.6907   21.907   8.4889   10.360   7.6691   80.190   19.726   56.147   20.027 24.04249 28.11067 
1 1 1    9   12   64 o   99.107   11.341   31.468   6.0591   32.789   8.9382   30.344   8.2419  100.630   16.437   97.584   15.630 3.046822 22.68235 
1 1 1    9   13    0 o  641.849   8.2055  1114.98   28.458  1118.57   40.462  1111.46   40.033  642.867   11.648  640.831   11.561 2.036682 16.41094 
1 1 1    9   13    3 o  201.914   7.5046  110.231   8.1881   0.0000   0.0000  110.231   8.1881  ?   ?   201.914   7.5046      ?      ? 
1 1 1    9   13    4 o  262.228   5.1593  185.905   7.3099  182.150   10.305  189.709   10.371  259.561   7.3472  264.895   7.2452 -5.333191 10.31861 
1 1 1    9   13    5 o  531.104   7.1076  763.010   20.397  765.766   29.008  760.316   28.686  532.049   10.090  530.158   10.013 1.891724 14.21515 
1 1 1    9   13    6 o  880.694   13.134  2118.79   59.647  2053.60   99.891  2154.91   74.359  869.549   21.259  891.839   15.430 -22.29047 26.26837 
1 1 1    9   13    7 o  264.205   5.9801  188.675   8.5376   0.0000   0.0000  188.675   8.5376  ?   ?   264.205   5.9801      ?      ? 
1 1 1    9   13    8 f  908.988   11.131  2235.39   54.676   0.0000   0.0000  2235.39   54.676  ?   ?   908.988   11.131      ?      ? 
1 1 1    9   13    9 o  356.969   5.6813  344.401   10.959   0.0000   0.0000  344.401   10.959  ?   ?   356.969   5.6813      ?      ? 
1 1 1    9   13   10 o  943.514   16.260  2411.78   82.901   0.0000   0.0000  2411.78   82.901  ?   ?   943.514   16.260      ?      ? 
1 1 1    9   13   11 o  313.613   7.2827  265.875   12.342   0.0000   0.0000  265.875   12.342  ?   ?   313.613   7.2827      ?      ? 
1 1 1    9   13   12 o  559.937   8.5421  847.704   25.846   0.0000   0.0000  847.704   25.846  ?   ?   559.937   8.5421      ?      ? 
1 1 1    9   13   13 o  677.800   9.9944  1221.23   30.840  1285.14   64.997  1202.67   35.035  688.710   17.465  666.890   9.7222 21.81976 19.98873 
1 1 1    9   13   14 f  530.375   8.5897  769.893   23.464  730.856   39.185  791.714   29.298  519.663   13.955  541.087   10.020 -21.42395 17.17941 
1 1 1    9   13   15 f  890.002   10.926  2143.79   52.533  2167.11   75.203  2121.57   73.415  894.716   15.555  885.289   15.347 9.427490 21.85112 
1 1 1    9   13   16 o  875.354   13.307  2045.33   58.164  1997.65   69.589  2155.86  105.947  859.117   14.990  891.592   21.990 -32.47534 26.61343 
1 1 1    9   13   17 o  556.674   7.4056  837.683   22.267  847.514   32.041  828.501   30.967  559.826   10.592  553.521   10.353 6.304260 14.81127 
1 1 1    9   13   18 o  706.400   10.833  1369.62   39.836  1277.70   64.611  1426.00   50.597  686.812   17.409  725.988   12.898 -39.17578 21.66628 
1 1 1    9   13   19 o  839.296   14.646  1906.76   66.422   0.0000   0.0000  1906.76   66.422  ?   ?   839.296   14.646      ?      ? 
1 1 1    9   13   20 o  801.230   9.9578  1737.50   43.113  1739.43   61.110  1735.58   60.832  801.671   14.107  800.789   14.058 0.8825073 19.91555 
1 1 1    9   13   21 o  667.158   12.057  1204.13   43.468   0.0000   0.0000  1204.13   43.468  ?   ?   667.158   12.057      ?      ? 
1 1 1    9   13   23 o  1191.84   14.393  3850.06   92.630  3764.91  128.169  3943.17  134.023  1178.11   20.133  1205.57   20.573 -27.46301 28.78523 
1 1 1    9   13   24 o  206.684   5.9103  115.703   6.5661  113.481   9.7504  117.546   8.8821  204.856   8.8082  208.511   7.8831 -3.654480 11.82064 
1 1 1    9   13   25 o  431.028   6.2879  502.340   14.641  506.101   21.003  498.785   20.419  432.593   8.9851  429.463   8.7987 3.129547 12.57571 
1 1 1    9   13   26 o  286.414   7.5227  221.790   11.643   0.0000   0.0000  221.790   11.643  ?   ?   286.414   7.5227      ?      ? 
1 1 1    9   13   27 o  529.335   7.1577  757.966   20.469  758.319   29.239  757.627   28.666  529.449   10.220  529.220   10.024 0.2291260 14.31532 
1 1 1    9   13   28 o  393.346   6.0890  418.563   12.938  406.494   18.321  430.567   18.272  387.682   8.7457  399.009   8.4745 -11.32693 12.17804 
1 1 1    9   13   29 o  603.084   7.9082  981.473   25.727  936.703   35.135  1033.22   37.774  588.313   11.052  617.856   11.314 -29.54254 15.81641 
1 1 1    9   13   30 o  349.684   5.8966  330.948   11.134  320.630   15.872  340.944   15.622  344.306   8.5312  355.062   8.1424 -10.75610 11.79317 
1 1 1    9   13   31 o  599.194   7.8580  971.587   25.435  947.355   35.464  997.257   36.501  591.507   11.095  606.882   11.130 -15.37476 15.71598 
1 1 1    9   13   32 o  335.842   7.4517  301.689   12.488  295.989   14.947  314.865   22.725  330.776   8.3626  340.908   12.336 -10.13116 14.90333 
1 1 1    9   13   33 o  291.605   8.7349  230.165   13.752  223.649   18.967  237.387   19.967  287.269   12.219  295.941   12.486 -8.671936 17.46982 
1 1 1    9   13   34 f  435.571   9.3773  513.693   22.036  494.820   30.142  535.360   32.296  427.026   13.063  444.116   13.457 -17.08990 18.75453 
1 1 1    9   13   35 o  568.711   10.988  878.866   33.746  859.459   46.739  900.000   48.774  562.195   15.385  575.227   15.691 -13.03247 21.97553 
1 1 1    9   13   36 o  464.760   9.2825  585.111   23.312   0.0000   0.0000  585.111   23.312  ?   ?   464.760   9.2825      ?      ? 
1 1 1    9   13   37 o  495.735   6.9518  666.048   18.619  654.102   26.027  678.569   26.646  491.188   9.8060  500.281   9.8565 -9.093170 13.90358 
1 1 1    9   13   38 o  447.894   7.6292  545.098   17.841  546.464   22.517  542.793   29.243  448.928   9.2820  446.859   12.111 2.069305 15.25848 
1 1 1    9   13   39 o  433.353   6.3553  509.310   14.881  500.252   21.018  518.412   21.071  429.477   9.0565  437.228   8.9183 -7.750977 12.71051 
1 1 1    9   13   40 o  430.018   6.3265  501.394   14.687  510.186   21.313  493.444   20.266  433.573   9.0971  426.462   8.7943 7.110901 12.65296 
1 1 1    9   13   41 o  325.879   5.7207  287.603   10.046  294.854   14.842  281.472   13.647  329.622   8.3329  322.137   7.8401 7.485809 11.44139 
1 1 1    9   13   42 o  395.657   6.0967  425.105   13.031  420.990   18.601  429.072   18.261  393.750   8.7421  397.565   8.5001 -3.815521 12.19333 
1 1 1    9   13   43 o  299.594   5.5981  243.435   9.0490  225.179   12.597  262.899   13.007  287.968   8.0955  311.221   7.7342 -23.25342 11.19623 
1 1 1    9   13   44 o  312.619   5.6040  264.164   9.4238  279.559   14.155  251.908   12.629  320.702   8.1683  304.536   7.6746 16.16602 11.20806 
1 1 1    9   13   45 o  242.772   7.5719  160.136   9.9333   0.0000   0.0000  160.136   9.9333  ?   ?   242.772   7.5719      ?      ? 
1 1 1    9   13   46 o  105.373   8.9232   30.085   4.9747   39.794   7.4979   22.449   6.6490  120.498   11.515   90.248   13.634 30.25023 17.84632 
1 1 1    9   13   47 o  259.336   7.6168  183.071   10.674   0.0000   0.0000  183.071   10.674  ?   ?   259.336   7.6168      ?      ? 
1 1 1    9   13   48 o  139.455   8.7446   55.153   6.0688   49.662   10.640   57.801   7.3885  133.548   14.744  145.362   9.4063 -11.81410 17.48920 
1 1 1    9   13   49 o  118.735   10.138   38.764   6.3181   41.599   10.380   37.095   7.9634  121.748   15.777  115.722   12.735 6.026138 20.27564 
1 1 1    9   13   50 o  400.389   8.4257  443.878   18.212  417.117   25.377  472.297   26.151  387.792   12.110  412.986   11.718 -25.19470 16.85141 
1 1 1    9   13   51 o  297.939   6.5649  241.290   10.318  232.421   13.126  255.631   16.692  291.328   8.3380  304.551   10.143 -13.22339 13.12987 
1 1 1    9   13   52 o  284.012   5.6483  221.093   8.6614  218.848   12.465  223.189   12.044  282.528   8.1650  285.495   7.8069 -2.966675 11.29662 
1 1 1    9   13   53 f  132.569   7.5879   48.692   5.4045   49.439   8.1111   48.096   7.2478  133.307   11.260  131.832   10.174 1.474289 15.17575 
1 1 1    9   13   54 o  127.071   8.3350   46.826   5.4566   32.013   7.8782   60.486   7.5650  106.252   13.721  147.889   9.4664 -41.63742 16.67003 
1 1 1    9   13   55 o  189.087   6.2620   98.413   6.3815  104.075   9.4522   93.672   8.6504  193.986   9.0173  184.187   8.6914 9.799484 12.52407 
1 1 1    9   13   56 o  150.354   7.1873   63.660   5.7680   55.502   8.4355   70.824   7.9049  140.778   11.089  159.930   9.1469 -19.15250 14.37458 
1 1 1    9   13   57 o  105.483   9.4208   32.070   5.3062   30.323   7.9942   33.446   7.0944  102.369   14.452  108.597   12.090 -6.227516 18.84157 
1 1 1    9   13   58 o  124.827   8.7934   45.197   5.7851   40.177   8.8893   48.886   7.6195  117.850   13.959  131.804   10.698 -13.95364 17.58689 
1 1 1    9   13   59 o  126.645   8.8042   46.337   5.9835   46.524   8.9963   46.189   8.0128  126.381   13.173  126.910   11.684 -0.5285034 17.60842 
1 1 1    9   13   60 o   74.797   12.452   17.770   6.0284   2.9822   8.7531   31.113   8.3146   46.903   19.893  102.691   14.984 -55.78847 24.90465 
1 1 1    9   13   61 o  135.890   8.7323   53.780   6.4121   53.564   9.0811   53.995   9.0550  135.580   12.395  136.199   12.303 -0.6183929 17.46469 
1 1 1    9   13   62 o  110.392   10.055   37.159   5.9606   34.380   8.6494   39.672   8.2256  105.617   15.155  115.167   13.218 -9.549782 20.10931 
1 1 1    9   13   63 o   66.252   14.468   15.733   5.7090   18.300   8.4563   13.583   7.7388   70.890   20.751   61.613   20.167 9.277683 28.93629 
1 1 1    9   14    0 o  751.281   13.455  1526.18   54.502  1465.31   74.140  1597.75   80.394  735.086   18.665  767.475   19.385 -32.38867 26.91032 
1 1 1    9   14    1 o  617.286   11.493  1026.69   38.175  1092.12   57.256  974.324   51.222  634.847   16.690  599.725   15.806 35.12250 22.98654 
1 1 1    9   14    2 o  349.789   12.092  331.081   22.855  331.081   22.855   0.0000   0.0000  349.789   12.092  ?   ?       ?      ? 
1 1 1    9   14    5 o  476.505   6.6246  613.162   17.042  594.516   23.500  633.846   24.751  468.879   9.2751  484.131   9.4612 -15.25201 13.24919 
1 1 1    9   14    6 o  427.534   6.8438  503.471   14.291  472.748   26.279  516.372   17.029  418.011   11.634  437.056   7.2105 -19.04547 13.68751 
1 1 1    9   14    7 o  1168.08   14.119  3693.72   89.120   0.0000   0.0000  3693.72   89.120  ?   ?   1168.08   14.119      ?      ? 
1 1 1    9   14    8 o  325.785   7.4134  286.914   13.051   0.0000   0.0000  286.914   13.051  ?   ?   325.785   7.4134      ?      ? 
1 1 1    9   14    9 o  740.056   9.3114  1480.94   37.236   0.0000   0.0000  1480.94   37.236  ?   ?   740.056   9.3114      ?      ? 
1 1 1    9   14   10 o  184.909   7.0428   92.420   7.0371   0.0000   0.0000   92.420   7.0371  ?   ?   184.909   7.0428      ?      ? 
1 1 1    9   14   11 o  500.476   9.5132  677.261   25.727   0.0000   0.0000  677.261   25.727  ?   ?   500.476   9.5132      ?      ? 
1 1 1    9   14   12 o  1314.21   15.781  4675.77  112.069   0.0000   0.0000  4675.77  112.069  ?   ?   1314.21   15.781      ?      ? 
1 1 1    9   14   13 o  374.959   7.9809  380.050   16.171   0.0000   0.0000  380.050   16.171  ?   ?   374.959   7.9809      ?      ? 
1 1 1    9   14   14 o  879.041   12.711  2023.67   49.939  2217.57  109.038  1972.20   56.178  904.204   22.316  853.878   12.175 50.32672 25.42162 
1 1 1    9   14   15 o  347.870   6.9689  323.607   12.296  316.988   14.921  337.613   21.704  342.434   8.0636  353.306   11.368 -10.87192 13.93777 
1 1 1    9   14   16 o  1166.02   14.115  3681.96   88.859  3596.77  122.601  3776.23  128.971  1151.88   19.697  1180.16   20.224 -28.28027 28.23068 
1 1 1    9   14   17 o  700.396   17.788  1329.05   67.322  1329.05   67.322   0.0000   0.0000  700.396   17.788  ?   ?       ?      ? 
1 1 1    9   14   18 o  504.729   6.9242  688.629   18.882  673.775   26.418  704.142   26.997  499.166   9.7942  510.291   9.7905 -11.12488 13.84848 
1 1 1    9   14   20 o  189.142   6.2568   96.341   6.3816  103.164   9.3952   90.496   8.6954  195.334   8.9010  182.950   8.7957 12.38458 12.51366 
1 1 1    9   14   21 o  460.437   6.5657  573.089   16.333  560.797   22.865  585.898   23.340  455.397   9.2915  465.477   9.2793 -10.08066 13.13150 
1 1 1    9   14   22 o  497.703   6.9099  669.093   18.571  646.443   25.688  693.889   26.878  488.894   9.7236  506.512   9.8202 -17.61850 13.81977 
1 1 1    9   14   23 o  450.323   6.5107  548.487   15.842  539.864   22.396  557.123   22.411  446.777   9.2767  453.869   9.1379 -7.092316 13.02146 
1 1 1    9   14   25 o  247.868   8.0683  166.125   10.807   0.0000   0.0000  166.125   10.807  ?   ?   247.868   8.0683      ?      ? 
1 1 1    9   14   26 o  523.756   10.030  742.126   28.386   0.0000   0.0000  742.126   28.386  ?   ?   523.756   10.030      ?      ? 
1 1 1    9   14   27 o  718.643   9.1306  1398.57   35.456  1394.06   50.207  1403.06   50.079  717.481   12.950  719.804   12.875 -2.323242 18.26117 
1 1 1    9   14   28 o  656.380   8.4808  1166.22   30.078  1152.52   42.279  1180.27   42.800  652.474   11.991  660.285   11.996 -7.810181 16.96152 
1 1 1    9   14   29 o  298.129   12.746  240.766   20.533   0.0000   0.0000  240.766   20.533  ?   ?   298.129   12.746      ?      ? 
1 1 1    9   14   30 o   86.183   18.026   20.556   8.9622   19.935   12.189   21.288   13.223   84.733   24.944   87.634   26.029 -2.901382 36.05146 
1 1 1    9   14   31 o  159.820   11.401   69.051   9.8070   60.901   13.440   78.333   14.342  149.752   16.609  169.887   15.623 -20.13557 22.80204 
1 1 1    9   14   32 o  242.757   9.0265  159.222   11.819  149.324   16.144  170.653   17.350  234.660   12.732  250.855   12.799 -16.19484 18.05305 
1 1 1    9   14   33 f  387.653   9.0150  407.553   18.876  401.577   26.238  413.964   27.176  384.726   12.621  390.581   12.876 -5.855560 18.03009 
1 1 1    9   14   34 o  229.598   7.5250  142.383   8.4280  144.031   15.827  141.730   9.9570  230.367   12.714  228.828   8.0526 1.539490 15.04992 
1 1 1    9   14   35 o  446.944   9.0926  541.109   21.960   0.0000   0.0000  541.109   21.960  ?   ?   446.944   9.0926      ?      ? 
1 1 1    9   14   36 o  745.031   11.546  1518.81   43.969  1501.35   75.345  1527.82   54.146  740.568   18.828  749.493   13.369 -8.924866 23.09172 
1 1 1    9   14   37 o  228.141   7.9430  155.074   8.7679  105.721   14.742  182.087   10.907  197.012   13.848  259.271   7.7849 -62.25890 15.88592 
1 1 1    9   14   38 f  362.588   6.8863  353.984   13.131  344.910   16.649  368.919   21.360  356.662   8.6388  368.515   10.726 -11.85260 13.77256 
1 1 1    9   14   39 o  243.476   6.3786  159.367   8.3260  149.526   10.980  172.680   12.771  234.760   8.6556  252.192   9.3715 -17.43164 12.75714 
1 1 1    9   14   40 o   74.632   12.530   16.412   4.9678   12.892   7.7746   18.840   6.4582   67.621   19.926   81.643   15.198 -14.02238 25.06044 
1 1 1    9   14   41 o  211.174   6.0392  122.604   6.7913  109.673   10.169  133.016   9.1245  200.891   9.3674  221.456   7.6249 -20.56438 12.07838 
1 1 1    9   14   42 o  113.796   8.5621   34.239   5.1786   43.433   8.2094   28.163   6.6741  126.078   12.050  101.513   12.167 24.56502 17.12413 
1 1 1    9   14   43 o  137.059   7.3336   51.036   5.3381   52.400   8.4084   50.116   6.9090  138.471   11.237  135.647   9.4257 2.823761 14.66711 
1 1 1    9   14   44 o  297.376   5.7007  240.612   9.1509  236.537   13.182  244.403   12.714  294.894   8.2722  299.858   7.8463 -4.963959 11.40149 
1 1 1    9   14   45 o  232.445   5.8447  147.877   7.2918  138.306   10.734  156.079   9.9366  225.304   8.8166  239.586   7.6752 -14.28139 11.68935 
1 1 1    9   14   46 o   76.903   14.685   17.068   5.9837   18.381   10.435   16.426   7.3038   78.851   23.043   74.956   18.212 3.895119 29.37069 
1 1 1    9   14   47 o  177.668   8.4199   88.531   7.7390   81.194   12.642   92.928   9.7871  171.123   13.671  184.212   9.8322 -13.08862 16.83986 
1 1 1    9   14   48 o  497.746   9.7292  689.150   26.155  681.081   37.434  696.847   36.561  494.644   14.005  500.849   13.509 -6.204803 19.45840 
1 1 1    9   14   49 o  418.823   9.0350  480.897   20.448   0.0000   0.0000  480.897   20.448  ?   ?   418.823   9.0350      ?      ? 
1 1 1    9   14   50 o  285.508   5.7611  223.265   8.8780  212.011   12.593  234.387   12.518  278.245   8.3755  292.771   7.9128 -14.52585 11.52219 
1 1 1    9   14   51 o   85.132   11.504   20.958   5.0603   24.175   7.7881   18.607   6.6569   90.739   16.491   79.524   16.045 11.21509 23.00836 
1 1 1    9   14   52 o   37.710   11.791  -1.2683   4.7125  -2.9854   7.3525  -0.0711   6.1392   37.570   16.978   37.850   16.366 -0.2803230 23.58137 
1 1 1    9   14   53 o  135.925   7.6544   51.552   5.5799   50.399   8.3610   52.478   7.4926  134.284   11.522  137.566   10.079 -3.281418 15.30885 
1 1 1    9   14   54 o   40.741   12.182   0.0171   4.9655  -5.9883   7.4556   4.8044   6.6567   34.484   16.120   46.997   18.268 -12.51283 24.36312 
1 1 1    9   14   55 o   55.767   13.589   8.2719   5.1113   12.848   7.6676   4.6122   6.8570   64.618   19.954   46.915   18.453 17.70270 27.17798 
1 1 1    9   14   56 o  298.731   5.8758  246.730   9.4753  243.212   13.651  250.001   13.163  296.504   8.5202  300.958   8.0937 -4.453491 11.75165 
1 1 1    9   14   57 o  164.991   7.2505   76.507   6.4065   74.472   9.6444   78.115   8.5708  162.589   10.977  167.394   9.4753 -4.805252 14.50110 
1 1 1    9   14   58 o  234.501   6.4269  154.421   8.1149  141.181   11.549  167.332   11.405  224.129   9.5361  244.873   8.6189 -20.74416 12.85384 
1 1 1    9   14   59 o   48.922   14.038   4.5992   5.8395   7.9139   8.7048   1.8868   7.8742   54.145   20.933   43.699   18.710 10.44621 28.07600 
1 1 1    9   14   60 o   41.458   13.037  -0.6598   5.8553   1.5777   8.7290  -2.4903   7.8951   44.684   19.418   38.233   17.402 6.450954 26.07415 
1 1 1    9   14   61 o  131.708   9.1947   52.166   6.5405   53.003   9.4275   51.389   9.0816  132.562   13.161  130.853   12.844 1.708969 18.38946 
1 1 1    9   14   62 o  162.870   7.6694   77.003   6.7321   74.065   9.7408   79.689   9.3147  159.412   11.308  166.328   10.364 -6.916321 15.33877 
1 1 1    9   15    0 o  279.391   7.7292  211.021   11.669   0.0000   0.0000  211.021   11.669  ?   ?   279.391   7.7292      ?      ? 
1 1 1    9   15    1 o  1052.34   15.874  2958.25   83.140  2886.20   99.195  3128.38  152.424  1032.05   17.787  1072.63   26.298 -40.57703 31.74800 
1 1 1    9   15    2 o  872.624   15.404  2065.98   72.632  2042.34  101.988  2090.31  103.463  867.564   21.755  877.684   21.815 -10.11969 30.80876 
1 1 1    9   15    3 o  295.317   8.5809  234.830   13.654  250.450   20.275  221.869   18.469  304.254   12.332  286.380   11.935 17.87393 17.16182 
1 1 1    9   15    4 o  618.210   11.660  1034.30   38.936  1007.43   54.147  1063.06   56.028  609.909   16.429  626.511   16.550 -16.60254 23.31975 
1 1 1    9   15    5 o  860.211   15.265  2006.42   70.939  1971.17   98.953  2043.69  101.753  852.458   21.482  867.964   21.695 -15.50568 30.53071 
1 1 1    9   15    8 o  166.412   7.6338   74.856   6.8645   0.0000   0.0000   74.856   6.8645  ?   ?   166.412   7.6338      ?      ? 
1 1 1    9   15    9 f  292.736   5.6538  231.588   8.9435   0.0000   0.0000  231.588   8.9435  ?   ?   292.736   5.6538      ?      ? 
1 1 1    9   15   10 o  311.255   7.5649  261.869   12.724   0.0000   0.0000  261.869   12.724  ?   ?   311.255   7.5649      ?      ? 
1 1 1    9   15   11 o  1090.84   13.224  3219.47   77.950   0.0000   0.0000  3219.47   77.950  ?   ?   1090.84   13.224      ?      ? 
1 1 1    9   15   12 o   90.742   9.9290   22.265   4.8685   0.0000   0.0000   22.265   4.8685  ?   ?    90.742   9.9290      ?      ? 
1 1 1    9   15   13 o  504.919   9.6293  689.362   26.273   0.0000   0.0000  689.362   26.273  ?   ?   504.919   9.6293      ?      ? 
1 1 1    9   15   14 o  605.878   11.167  991.320   36.486  954.505   49.731  1034.23   53.693  593.752   15.500  618.004   16.078 -24.25165 22.33303 
1 1 1    9   15   15 f  788.722   19.687  1686.49   83.904  1686.49   83.904   0.0000   0.0000  788.722   19.687  ?   ?       ?      ? 
1 1 1    9   15   16 o  440.878   12.597  525.901   30.011  525.901   30.011   0.0000   0.0000  440.878   12.597  ?   ?       ?      ? 
1 1 1    9   15   19 o  518.299   10.087  726.552   28.252   0.0000   0.0000  726.552   28.252  ?   ?   518.299   10.087      ?      ? 
1 1 1    9   15   20 o  1321.73   15.927  4742.78  113.678  4646.30  157.425  4847.91  164.326  1307.77   22.277  1335.68   22.768 -27.90918 31.85309 
1 1 1    9   15   24 o  578.547   15.746  907.207   49.227   0.0000   0.0000  907.207   49.227  ?   ?   578.547   15.746      ?      ? 
1 1 1    9   15   25 f  334.838   12.837  303.604   23.226   0.0000   0.0000  303.604   23.226  ?   ?   334.838   12.837      ?      ? 
1 1 1    9   15   26 o  548.413   10.726  813.174   31.740  850.901   46.469  780.180   43.456  560.287   15.348  536.539   14.989 23.74841 21.45299 
1 1 1    9   15   27 o  402.865   9.2293  439.676   20.088  442.117   28.201  437.162   28.622  404.011   12.918  401.720   13.185 2.291412 18.45853 
1 1 1    9   15   28 o  429.317   9.3416  497.475   21.626  534.234   31.839  465.991   29.466  443.974   13.271  414.660   13.150 29.31342 18.68316 
1 1 1    9   15   29 o  197.891   10.142  107.329   10.707  125.000   14.989   88.919   15.300  214.769   12.916  181.013   15.642 33.75635 20.28494 
1 1 1    9   15   30 o  449.693   9.5601  548.017   23.222  565.090   33.368  531.982   32.339  456.479   13.528  442.907   13.512 13.57227 19.12011 
1 1 1    9   15   31 o  234.800   7.5376  148.679   8.7626  151.126   16.065  147.642   10.455  236.037   12.595  233.563   8.2838 2.474030 15.07519 
1 1 1    9   15   32 o  455.314   6.6645  560.311   16.380  529.604   22.608  594.238   23.764  442.206   9.4613  468.422   9.3885 -26.21591 13.32891 
1 1 1    9   15   33 o  407.399   8.7199  449.426   19.196   0.0000   0.0000  449.426   19.196  ?   ?   407.399   8.7199      ?      ? 
1 1 1    9   15   34 o  547.562   10.388  812.993   30.738   0.0000   0.0000  812.993   30.738  ?   ?   547.562   10.388      ?      ? 
1 1 1    9   15   35 f  325.761   7.9730  287.435   14.035   0.0000   0.0000  287.435   14.035  ?   ?   325.761   7.9730      ?      ? 
1 1 1    9   15   36 o  140.859   9.8397   53.836   7.4896   0.0000   0.0000   53.836   7.4896  ?   ?   140.859   9.8397      ?      ? 
1 1 1    9   15   37 o  622.731   9.9350  1077.16   32.346  974.549   51.371  1144.56   41.635  596.855   15.928  648.607   11.879 -51.75183 19.86999 
1 1 1    9   15   38 o  134.756   10.362   50.959   6.4836   47.140   12.822   52.271   7.5152  130.830   18.136  138.682   10.028 -7.852280 20.72418 
1 1 1    9   15   39 o  391.973   7.2065  414.843   14.782  405.993   18.614  429.955   24.323  386.659   8.9087  397.286   11.330 -10.62665 14.41303 
1 1 1    9   15   40 o  297.474   5.7607  239.955   9.2441  243.613   13.519  236.742   12.669  299.567   8.3512  295.380   7.9374 4.187500 11.52145 
1 1 1    9   15   41 o  357.289   5.9324  347.055   11.444  341.137   16.446  352.611   15.934  354.286   8.5904  360.293   8.1841 -6.006897 11.86484 
1 1 1    9   15   42 o  165.439   6.9214   76.586   6.0063   63.999   9.1857   85.987   7.9384  153.039   11.108  177.838   8.2607 -24.79971 13.84273 
1 1 1    9   15   43 o  206.496   6.1814  114.686   6.7804  123.472   10.775  108.925   8.7245  212.851   9.3681  200.142   8.0670 12.70847 12.36273 
1 1 1    9   15   44 o  106.195   13.085   34.819   6.4334   26.171   11.734   38.536   7.6926   93.899   23.250  118.491   12.014 -24.59125 26.17035 
1 1 1    9   15   45 o  102.176   13.464   33.821   6.4447   21.466   11.560   39.392   7.7631   84.721   24.102  119.632   12.009 -34.91045 26.92828 
1 1 1    9   15   46 o  301.271   7.7435  251.137   12.512  226.577   18.189  273.198   17.239  286.817   11.736  315.724   10.105 -28.90753 15.48691 
1 1 1    9   15   47 o  339.779   5.9658  315.272   10.947  317.888   15.792  312.853   15.187  341.077   8.5683  338.481   8.3035 2.595917 11.93163 
1 1 1    9   15   48 o  161.411   6.8613   70.272   5.9202   80.829   9.2367   62.911   7.7128  171.436   9.9708  151.386   9.4284 20.04936 13.72267 
1 1 1    9   15   49 o  202.089   6.2387  112.528   6.7646  106.774   10.025  117.338   9.1658  197.118   9.4117  207.061   8.1919 -9.943146 12.47743 
1 1 1    9   15   50 o   88.065   11.628   22.942   5.2777   20.502   8.2273   24.648   6.8797   82.498   18.866   93.632   13.597 -11.13400 23.25510 
1 1 1    9   15   51 o  139.311   10.162   53.679   7.6499   0.0000   0.0000   53.679   7.6499  ?   ?   139.311   10.162      ?      ? 
1 1 1    9   15   52 o  145.813   7.4298   59.168   5.8033   58.363   8.7644   59.796   7.7442  144.648   11.213  146.977   9.7508 -2.328522 14.85967 
1 1 1    9   15   53 f  112.477   9.2499   36.357   5.5216   31.917   8.2677   39.931   7.4187  105.596   14.489  119.357   11.502 -13.76018 18.49986 
1 1 1    9   15   54 o  221.609   6.0875  135.544   7.2588  136.511   10.787  134.743   9.8130  222.116   8.9873  221.102   8.2134 1.013672 12.17501 
1 1 1    9   15   55 o  265.416   5.9260  194.747   8.4940  189.457   12.102  199.884   11.925  261.737   8.5568  269.096   8.2006 -7.359009 11.85196 
1 1 1    9   15   56 o   38.623   12.300  -2.0895   5.3102  -1.2505   8.2999  -2.6709   6.9095   41.217   18.377   36.030   16.353 5.186874 24.59923 
1 1 1    9   15   57 o  118.193   9.9087   42.166   6.0672   30.893   8.8844   52.017   8.3054  101.346   16.223  135.041   11.382 -33.69526 19.81740 
1 1 1    9   15   58 o   54.432   14.770   8.1292   6.0931   9.0933   8.8637   7.2655   8.3896   56.211   21.273   52.654   20.497 3.557053 29.54096 
1 1 1    9   15   59 o  288.850   9.3511  233.832   14.596  233.832   14.596   0.0000   0.0000  288.850   9.3511  ?   ?       ?      ? 
1 1 1    9   15   60 o   52.831   14.665   8.7754   6.2250   5.8618   8.9336   11.525   8.6789   48.438   20.295   57.223   21.174 -8.784908 29.32950 
1 1 1    9   15   61 o  198.765   7.0380  112.820   7.5419  114.258   11.068  111.575   10.304  199.604   10.262  197.926   9.6344 1.677444 14.07590 
1 1 1    9   15   62 o  102.160   11.416   33.568   6.2726   34.943   9.3860   32.458   8.4321  103.348   16.807  100.973   15.454 2.375534 22.83204 
1 1 1    9   16    0 o  313.397   5.6070  265.382   9.4928  270.185   13.623  260.849   13.235  316.151   7.9745  310.643   7.8843 5.508484 11.21407 
1 1 1    9   16    3 o  841.309   10.490  1915.52   47.688  1903.06   67.093  1928.25   67.796  838.545   14.807  844.072   14.864 -5.526611 20.98048 
1 1 1    9   16    4 o  792.919   9.9304  1699.87   42.522  1662.23   58.886  1740.88   61.466  783.768   13.904  802.070   14.182 -18.30212 19.86075 
1 1 1    9   16    5 o  536.351   8.1125  796.917   21.365  732.207   38.705  825.274   25.622  520.188   13.770  552.513   8.5819 -32.32562 16.22496 
1 1 1    9   16    6 o  151.830   6.8095   61.527   5.2699   64.730   9.2285   59.977   6.4196  154.706   11.039  148.954   7.9757 5.752502 13.61890 
1 1 1    9   16    7 o  755.737   11.037  1544.69   45.072   0.0000   0.0000  1544.69   45.072  ?   ?   755.737   11.037      ?      ? 
1 1 1    9   16   10 o  205.822   9.3715  114.545   10.423   0.0000   0.0000  114.545   10.423  ?   ?   205.822   9.3715      ?      ? 
1 1 1    9   16   12 o  185.267   10.072   92.820   10.083   0.0000   0.0000   92.820   10.083  ?   ?   185.267   10.072      ?      ? 
1 1 1    9   16   13 o  734.747   13.329  1460.89   52.920   0.0000   0.0000  1460.89   52.920  ?   ?   734.747   13.329      ?      ? 
1 1 1    9   16   14 o  147.221   9.5835   58.209   7.5947   52.680   10.244   64.955   11.317  139.519   13.588  154.924   13.518 -15.40530 19.16697 
1 1 1    9   16   15 o  668.564   12.128  1210.82   43.811  1200.00   61.354  1222.07   62.579  665.528   17.060  671.601   17.244 -6.072815 24.25698 
1 1 1    9   16   16 o  488.692   9.6808  646.274   25.560  636.036   35.749  656.982   36.560  484.737   13.648  492.648   13.733 -7.911194 19.36162 
1 1 1    9   16   17 o  603.797   11.283  986.925   36.790  966.892   50.932  1008.78   53.201  597.414   15.777  610.180   16.135 -12.76703 22.56678 
1 1 1    9   16   18 o  1334.24   22.908  4866.92  165.106  4945.94  237.319  4792.79  229.850  1344.60   32.663  1323.89   32.130 20.71667 45.81656 
1 1 1    9   16   19 o  532.568   10.424  768.363   29.996  773.649   42.391  763.063   42.452  534.408   14.679  530.728   14.803 3.680359 20.84709 
1 1 1    9   16   20 o  653.661   12.092  1153.79   42.577  1103.38   57.527  1214.86   63.315  637.989   16.687  669.334   17.506 -31.34473 24.18455 
1 1 1    9   16   21 o  594.904   11.274  958.350   36.217  939.414   50.113  979.054   52.401  588.780   15.751  601.029   16.135 -12.24969 22.54802 
1 1 1    9   16   22 o  276.366   8.9100  206.736   13.299  205.225   18.486  208.356   19.148  275.328   12.425  277.404   12.774 -2.076233 17.82009 
1 1 1    9   16   23 o  326.706   8.8859  288.365   15.664  311.036   22.710  267.793   21.634  338.936   12.400  314.475   12.731 24.46033 17.77177 
1 1 1    9   16   24 o  362.714   8.9835  355.800   17.590  346.847   24.236  365.766   25.570  357.909   12.531  367.518   12.876 -9.609558 17.96709 
1 1 1    9   16   25 o  419.573   9.4724  476.348   21.463  497.748   30.953  456.531   29.787  428.641   13.364  410.505   13.428 18.13562 18.94476 
1 1 1    9   16   26 o  345.853   12.720  324.099   23.771  324.099   23.771   0.0000   0.0000  345.853   12.720  ?   ?       ?      ? 
1 1 1    9   16   27 o  241.738   7.7152  157.815   9.4737  159.437   16.543  157.024   11.556  242.572   12.621  240.904   8.8773 1.668121 15.43041 
1 1 1    9   16   28 o  397.583   8.7571  427.728   18.814   0.0000   0.0000  427.728   18.814  ?   ?   397.583   8.7571      ?      ? 
1 1 1    9   16   29 o  517.456   7.2509  725.032   20.271  709.322   28.379  741.398   28.966  511.734   10.263  523.179   10.246 -11.44482 14.50188 
1 1 1    9   16   30 o   99.820   12.207   29.380   6.1096   19.623   9.2839   36.833   8.1143   83.136   20.735  116.503   12.889 -33.36723 24.41494 
1 1 1    9   16   31 o  379.125   6.2085  389.128   12.710  369.827   17.835  409.047   18.119  369.559   8.9312  388.690   8.6265 -19.13132 12.41705 
1 1 1    9   16   32 o  577.038   10.836  902.930   33.787   0.0000   0.0000  902.930   33.787  ?   ?   577.038   10.836      ?      ? 
1 1 1    9   16   33 o  129.562   9.0132   47.542   6.0385   36.800   9.2994   55.374   7.9401  116.240   14.805  142.883   10.284 -26.64278 18.02635 
1 1 1    9   16   34 o  322.536   8.1056  281.840   14.127   0.0000   0.0000  281.840   14.127  ?   ?   322.536   8.1056      ?      ? 
1 1 1    9   16   35 o  199.159   6.4444  106.512   6.8816  115.893   10.554   99.573   9.0767  206.684   9.4495  191.635   8.7653 15.04973 12.88889 
1 1 1    9   16   36 o  484.660   6.9395  636.501   18.155  605.187   25.005  671.409   26.401  472.084   9.8021  497.236   9.8258 -25.15222 13.87903 
1 1 1    9   16   37 o  161.892   11.185   71.363   9.7847   71.363   9.7847   0.0000   0.0000  161.892   11.185  ?   ?       ?      ? 
1 1 1    9   16   38 o  291.929   7.3427  238.072   10.753  214.459   18.629  249.869   13.167  280.379   12.296  303.480   8.0293 -23.10110 14.68550 
1 1 1    9   16   39 o  343.746   6.0577  320.966   11.246  319.652   16.146  322.203   15.674  343.033   8.7106  344.460   8.4207 -1.426849 12.11535 
1 1 1    9   16   40 o  203.186   7.0066  112.163   7.6810  104.229   10.577  121.013   11.172  195.588   10.008  210.784   9.8086 -15.19571 14.01325 
1 1 1    9   16   41 o  193.680   8.5250  107.776   7.8381   91.802   14.638  114.198   9.2806  182.447   14.848  204.912   8.3815 -22.46539 17.04994 
1 1 1    9   16   42 o  372.748   8.3174  373.935   16.391  412.387   26.541  350.225   20.841  387.553   12.673  357.943   10.775 29.60941 16.63483 
1 1 1    9   16   43 o  345.179   8.1382  327.395   15.099  286.487   21.188  369.595   21.520  322.941   12.142  367.418   10.839 -44.47672 16.27630 
1 1 1    9   16   44 o  156.833   7.7247   67.802   6.5125   63.695   9.5173   71.419   8.9309  152.198   11.572  161.468   10.236 -9.270264 15.44948 
1 1 1    9   16   45 f  279.991   7.7895  213.642   11.785   0.0000   0.0000  213.642   11.785  ?   ?   279.991   7.7895      ?      ? 
1 1 1    9   16   46 o  182.488   6.5292   90.578   6.3256   94.394   10.006   88.039   8.1637  185.463   9.9846  179.513   8.4159 5.949753 13.05834 
1 1 1    9   16   47 o  161.184   7.0148   71.157   5.9833   72.902   9.5207   70.018   7.6922  162.536   10.840  159.832   8.9063 2.703110 14.02956 
1 1 1    9   16   48 o  162.999   7.1289   73.349   6.1655   72.401   9.6403   74.004   8.0202  161.797   11.026  164.202   9.0390 -2.404587 14.25781 
1 1 1    9   16   49 o  147.570   7.5437   60.606   5.8720   58.873   9.2964   61.757   7.5742  145.391   11.833  149.749   9.3601 -4.358215 15.08741 
1 1 1    9   16   50 o  215.795   6.2210  127.915   7.1924  129.175   10.926  126.952   9.5549  216.491   9.3394  215.098   8.2205 1.392761 12.44193 
1 1 1    9   16   51 o  264.728   5.9048  192.356   8.4203  197.637   12.478  187.942   11.410  267.904   8.6196  261.553   8.0728 6.350983 11.80962 
1 1 1    9   16   52 o  167.582   6.9096   77.651   6.2091   80.128   9.4393   75.763   8.2437  169.687   10.294  165.478   9.2192 4.209167 13.81914 
1 1 1    9   16   53 o   97.820   10.966   27.052   5.5819   34.394   8.8830   22.261   7.1757  109.190   15.055   86.450   15.948 22.74015 21.93190 
1 1 1    9   16   54 o  224.015   6.1698  138.981   7.4479  137.450   10.909  140.318   10.193  222.646   9.0678  225.385   8.3692 -2.738556 12.33968 
1 1 1    9   16   55 o   45.683   13.273   3.3003   5.3580   0.1214   8.2585   5.6111   7.0410   42.746   18.724   48.620   18.819 -5.873566 26.54696 
1 1 1    9   16   56 o   54.748   14.248   8.6729   5.5470   9.9600   8.0872   7.5293   7.6226   57.231   20.550   52.265   19.740 4.966129 28.49506 
1 1 1    9   16   57 f  121.564   9.8178   43.990   6.3002   36.996   9.3804   49.737   8.5037  111.396   15.584  131.733   11.946 -20.33694 19.63557 
1 1 1    9   16   58 o   84.294   21.378   23.612   9.7521   23.612   9.7521   0.0000   0.0000   84.294   21.378  ?   ?       ?      ? 
1 1 1    9   16   59 o  122.426   9.9300   45.576   6.5509   50.422   9.5861   41.330   8.9730  128.772   13.776  116.080   14.305 12.69181 19.86009 
1 1 1    9   16   60 o   65.699   13.539   12.907   6.0513   26.153   9.0379   2.1429   8.1470   88.097   19.501   43.301   18.788 44.79577 27.07874 
1 1 1    9   16   61 o  213.329   6.9815  132.417   7.9761  113.613   11.296  151.112   11.264  197.043   10.609  229.616   9.0779 -32.57330 13.96296 
1 1 1    9   17    0 o  213.836   6.0308  123.635   6.9645  118.236   9.8071  129.127   9.8921  209.124   8.6786  218.548   8.3763 -9.424759 12.06153 
1 1 1    9   17    1 o  659.728   8.5429  1177.38   30.454  1169.19   42.861  1185.73   43.280  657.413   12.065  662.043   12.098 -4.629761 17.08583 
1 1 1    9   17    2 o  466.886   6.7760  589.420   17.087  589.569   24.543  589.280   23.804  466.938   9.7269  466.835   9.4363 0.1031189 13.55203 
1 1 1    9   17    3 o  918.757   11.341  2284.64   56.281  2247.27   78.281  2324.63   80.975  911.002   15.902  926.513   16.174 -15.51105 22.68172 
1 1 1    9   17    5 o  392.118   7.1534  413.223   14.327  423.649   24.835  408.022   17.540  395.746   11.614  388.490   8.3553 7.256317 14.30687 
1 1 1    9   17    6 o  633.441   9.5463  1084.97   32.676   0.0000   0.0000  1084.97   32.676  ?   ?   633.441   9.5463      ?      ? 
1 1 1    9   17    7 o  517.330   7.1773  723.420   20.064   0.0000   0.0000  723.420   20.064  ?   ?   517.330   7.1773      ?      ? 
1 1 1    9   17    8 o  555.614   7.5471  834.496   22.659   0.0000   0.0000  834.496   22.659  ?   ?   555.614   7.5471      ?      ? 
1 1 1    9   17    9 o  295.303   7.7162  235.735   12.313   0.0000   0.0000  235.735   12.313  ?   ?   295.303   7.7162      ?      ? 
1 1 1    9   17   10 o  704.531   9.0449  1342.09   34.434   0.0000   0.0000  1342.09   34.434  ?   ?   704.531   9.0449      ?      ? 
1 1 1    9   17   11 f  932.642   11.510  2353.05   58.009   0.0000   0.0000  2353.05   58.009  ?   ?   932.642   11.510      ?      ? 
1 1 1    9   17   12 o  215.386   10.353  125.474   12.049   0.0000   0.0000  125.474   12.049  ?   ?   215.386   10.353      ?      ? 
1 1 1    9   17   13 o  896.192   15.828  2175.69   76.651   0.0000   0.0000  2175.69   76.651  ?   ?   896.192   15.828      ?      ? 
1 1 1    9   17   14 o  827.900   14.530  1856.26   65.002   0.0000   0.0000  1856.26   65.002  ?   ?   827.900   14.530      ?      ? 
1 1 1    9   17   15 o  405.503   7.6520  442.609   15.613  451.126   27.824  438.695   18.863  408.234   12.613  402.771   8.6669 5.462860 15.30391 
1 1 1    9   17   16 o  593.840   9.0886  967.143   25.612  928.604   49.610  981.148   29.906  585.377   15.684  602.303   9.1888 -16.92535 18.17727 
1 1 1    9   17   17 o  585.254   7.9288  925.919   25.062  897.901   34.770  956.217   36.157  576.052   11.170  594.457   11.256 -18.40552 15.85760 
1 1 1    9   17   18 o  230.576   9.5719  143.801   11.926   0.0000   0.0000  143.801   11.926  ?   ?   230.576   9.5719      ?      ? 
1 1 1    9   17   21 o  848.604   14.976  1951.66   68.674   0.0000   0.0000  1951.66   68.674  ?   ?   848.604   14.976      ?      ? 
1 1 1    9   17   23 o  612.728   11.492  1016.48   38.048   0.0000   0.0000  1016.48   38.048  ?   ?   612.728   11.492      ?      ? 
1 1 1    9   17   24 o  410.061   6.5165  454.656   14.433  436.110   20.124  474.298   20.710  401.453   9.2766  418.669   9.1544 -17.21661 13.03295 
1 1 1    9   17   25 o  447.800   6.7980  542.050   16.440  520.865   22.807  564.961   23.718  438.703   9.6209  456.897   9.6068 -18.19418 13.59600 
1 1 1    9   17   26 o  129.889   9.8356   45.478   6.8822   49.794   10.215   41.891   9.3131  135.497   13.952  124.282   13.867 11.21429 19.67119 
1 1 1    9   17   27 o  397.536   8.8877  427.788   19.092   0.0000   0.0000  427.788   19.092  ?   ?   397.536   8.8877      ?      ? 
1 1 1    9   17   28 o  206.671   6.8544  115.846   7.6420  112.332   11.027  119.093   10.600  203.634   10.021  209.708   9.3542 -6.073883 13.70879 
1 1 1    9   17   29 o  526.507   10.283  751.173   29.255   0.0000   0.0000  751.173   29.255  ?   ?   526.507   10.283      ?      ? 
1 1 1    9   17   30 f  404.980   8.8660  444.180   19.402   0.0000   0.0000  444.180   19.402  ?   ?   404.980   8.8660      ?      ? 
1 1 1    9   17   31 o  211.921   6.6500  121.735   7.5810  121.523   11.262  121.912   10.252  211.720   9.8436  212.122   8.9438 -0.4013062 13.29993 
1 1 1    9   17   32 o  656.902   8.5720  1168.88   30.364  1114.69   41.335  1232.39   44.750  640.478   11.943  673.327   12.299 -32.84918 17.14404 
1 1 1    9   17   33 o  117.091   9.7436   37.212   6.1038   38.350   9.3731   36.373   8.0428  118.578   14.628  115.603   12.875 2.975044 19.48717 
1 1 1    9   17   34 f  499.926   9.8760  678.518   26.679   0.0000   0.0000  678.518   26.679  ?   ?   499.926   9.8760      ?      ? 
1 1 1    9   17   35 o  369.763   6.1840  371.300   12.347  362.284   17.666  379.909   17.263  365.333   8.9488  374.192   8.5374 -8.858887 12.36801 
1 1 1    9   17   36 o  207.704   6.5423  118.443   7.2547  106.890   10.791  127.973   9.8000  198.258   10.073  217.150   8.3518 -18.89223 13.08465 
1 1 1    9   17   37 o  403.048   6.3627  441.175   13.850  421.932   19.438  461.022   19.740  394.090   9.1278  412.005   8.8668 -17.91486 12.72541 
1 1 1    9   17   38 o  502.534   8.7524  705.458   22.866  629.054   36.640  754.195   29.263  478.859   14.160  526.210   10.291 -47.35159 17.50479 
1 1 1    9   17   39 o  202.955   8.7337  108.935   8.9304  123.513   16.238  102.613   10.693  211.924   14.179  193.986   10.201 17.93773 17.46739 
1 1 1    9   17   40 o   85.417   15.159   22.943   6.8956   13.473   13.125   26.554   8.1042   72.796   26.175   98.038   15.298 -25.24214 30.31735 
1 1 1    9   17   41 o   92.201   15.055   21.923   6.7498   33.266   13.111   17.833   7.8733  106.092   23.490   78.310   18.836 27.78208 30.10969 
1 1 1    9   17   42 f  125.403   8.8733   44.883   5.7332   36.942   9.1102   50.090   7.3771  115.468   14.601  135.337   10.087 -19.86923 17.74664 
1 1 1    9   17   43 o  226.802   6.0381  139.976   7.3435  143.346   11.150  137.395   9.7591  229.082   9.0072  224.523   8.0438 4.558777 12.07611 
1 1 1    9   17   44 o   55.169   13.740   7.8978   5.0839   6.2080   8.0870   9.0019   6.5373   53.395   20.293   56.943   18.531 -3.547707 27.48069 
1 1 1    9   17   45 o  171.726   6.9043   81.864   6.2496   76.192   9.7948   85.759   8.1165  166.327   10.898  177.126   8.4801 -10.79919 13.80861 
1 1 1    9   17   46 o  120.116   8.6784   39.518   5.5319   42.923   8.8274   37.315   7.0988  124.074   13.166  116.158   11.310 7.915649 17.35671 
1 1 1    9   17   47 o  120.293   9.1168   42.196   5.6007   33.423   8.9216   47.903   7.1952  108.762   15.180  131.825   10.101 -23.06310 18.23366 
1 1 1    9   17   48 o  156.762   7.3299   67.108   6.1083   72.732   9.6897   63.399   7.8686  161.884   11.077  151.641   9.6028 10.24323 14.65981 
1 1 1    9   17   49 o  143.404   7.7545   56.443   5.8698   60.273   9.4891   54.069   7.4706  146.930   11.952  139.878   9.8837 7.051880 15.50898 
1 1 1    9   17   50 o   45.912   13.329   2.5845   5.1937   5.5919   8.4088   0.7296   6.6040   51.658   20.397   40.165   17.164 11.49237 26.65787 
1 1 1    9   17   51 o  165.367   7.1621   75.848   6.2723   77.060   9.9320   75.044   8.0896  166.005   11.072  164.730   9.0879 1.275162 14.32416 
1 1 1    9   17   52 o  177.662   6.9908   88.845   6.5811   81.268   10.084   94.466   8.6858  170.411   10.951  184.914   8.6926 -14.50235 13.98158 
1 1 1    9   17   53 o   62.272   14.217   11.969   5.4436   10.759   8.4687   12.821   7.1062   60.225   21.086   64.318   19.076 -4.093132 28.43451 
1 1 1    9   17   54 o  114.208   9.7121   38.509   5.8158   30.943   8.6695   44.699   7.8421  102.703   15.622  125.713   11.544 -23.01012 19.42422 
1 1 1    9   17   55 o  102.767   10.527   30.533   5.7753   35.917   9.0650   26.854   7.4927  110.010   15.249   95.525   14.516 14.48476 21.05325 
1 1 1    9   17   56 o   96.197   12.384   28.136   6.1437   44.007   9.3441   16.051   8.1540  122.524   14.113   69.870   20.355 52.65414 24.76882 
1 1 1    9   17   57 o   39.303   12.749  -4.3340   6.1740  -0.0953   9.1751  -7.8414   8.3462   43.923   19.467   34.684   16.467 9.239147 25.49793 
1 1 1    9   17   58 f   61.512   15.205   13.712   6.2690   12.101   9.1245   15.152   8.6277   58.536   21.700   64.487   21.303 -5.951031 30.40919 
1 1 1    9   17   59 o   44.275   13.236   1.2307   5.8232   8.7120   8.5485  -5.2462   7.9540   53.515   20.729   35.036   16.464 18.47927 26.47188 
1 1 1    9   17   60 o   45.247   13.726   3.8153   6.0743   7.0166   8.8288   0.9380   8.3701   49.409   20.394   41.085   18.376 8.323490 27.45191 
1 1 1    9   18    1 o  550.254   7.5740  818.946   22.520  812.681   31.891  825.178   31.804  548.152   10.767  552.356   10.655 -4.204407 15.14794 
1 1 1    9   18    3 o  848.497   10.634  1947.96   48.732  1908.99   67.660  1989.97   70.246  839.700   14.912  857.294   15.164 -17.59467 21.26716 
1 1 1    9   18    4 o  663.062   9.8772  1178.97   30.597  1212.16   61.748  1168.17   35.226  668.886   17.084  657.237   9.9187 11.64905 19.75443 
1 1 1    9   18    5 o  612.915   9.2441  1007.52   26.597  1035.14   53.285  998.358   30.694  618.211   15.951  607.619   9.3482 10.59247 18.48826 
1 1 1    9   18    6 o  400.822   6.5016  434.253   14.082   0.0000   0.0000  434.253   14.082  ?   ?   400.822   6.5016      ?      ? 
1 1 1    9   18    7 o  252.772   9.2196  172.779   12.593   0.0000   0.0000  172.779   12.593  ?   ?   252.772   9.2196      ?      ? 
1 1 1    9   18    8 o  838.326   10.518  1901.04   47.645   0.0000   0.0000  1901.04   47.645  ?   ?   838.326   10.518      ?      ? 
1 1 1    9   18    9 o  1109.57   13.518  3333.09   81.050   0.0000   0.0000  3333.09   81.050  ?   ?   1109.57   13.518      ?      ? 
1 1 1    9   18   10 o  817.343   14.713  1809.48   64.983   0.0000   0.0000  1809.48   64.983  ?   ?   817.343   14.713      ?      ? 
1 1 1    9   18   13 o  498.494   7.2455  671.818   19.517   0.0000   0.0000  671.818   19.517  ?   ?   498.494   7.2455      ?      ? 
1 1 1    9   18   14 o  131.747   16.277   47.044   11.588   0.0000   0.0000   47.044   11.588  ?   ?   131.747   16.277      ?      ? 
1 1 1    9   18   15 o  759.481   11.094  1566.10   39.523  1556.98   78.611  1569.19   45.722  757.437   19.206  761.526   11.111 -4.089172 22.18886 
1 1 1    9   18   16 o  514.593   8.3740  709.555   20.006  730.856   40.771  702.800   22.960  519.395   14.527  509.792   8.3348 9.603271 16.74798 
1 1 1    9   18   17 o  153.740   10.358   60.948   8.3792   78.986   13.910   50.675   10.497  170.717   15.079  136.764   14.204 33.95302 20.71567 
1 1 1    9   18   19 o  726.637   9.3912  1427.15   36.811  1477.14   53.985  1383.71   50.326  738.472   13.528  714.801   13.029 23.67078 18.78240 
1 1 1    9   18   20 f  796.985   10.115  1720.22   43.544  1682.61   60.496  1760.66   62.726  787.967   14.208  806.002   14.402 -18.03497 20.23071 
1 1 1    9   18   21 o  294.148   6.5646  234.022   10.424  219.682   14.580  249.013   14.908  284.927   9.4698  303.370   9.0939 -18.44330 13.12917 
1 1 1    9   18   22 o  289.897   6.5146  227.069   10.194  234.459   14.845  220.475   14.023  294.348   9.3329  285.446   9.0915 8.901917 13.02913 
1 1 1    9   18   23 o  284.793   6.4547  219.361   9.9210  221.625   14.427  217.330   13.665  286.176   9.3292  283.409   8.9231 2.766998 12.90948 
1 1 1    9   18   24 o  211.921   7.2856  121.158   8.3120  136.898   12.129  107.221   11.413  224.865   9.9821  198.978   10.615 25.88704 14.57121 
1 1 1    9   18   25 o  551.365   7.6531  823.755   22.801  820.723   32.330  826.755   32.161  550.348   10.871  552.381   10.775 -2.033081 15.30616 
1 1 1    9   18   26 o  516.987   10.288  724.155   28.741   0.0000   0.0000  724.155   28.741  ?   ?   516.987   10.288      ?      ? 
1 1 1    9   18   27 o  252.309   8.7763  172.368   11.966   0.0000   0.0000  172.368   11.966  ?   ?   252.309   8.7763      ?      ? 
1 1 1    9   18   28 o   75.441   20.677   16.068   8.6799   0.0000   0.0000   16.068   8.6799  ?   ?    75.441   20.677      ?      ? 
1 1 1    9   18   29 o  360.064   6.3604  349.232   12.331  311.581   16.789  393.329   18.169  339.096   9.1623  381.032   8.8243 -41.93582 12.72072 
1 1 1    9   18   30 o  409.646   6.5266  455.124   14.439  447.553   20.654  462.361   20.195  406.286   9.4078  413.007   9.0488 -6.720490 13.05326 
1 1 1    9   18   31 o  395.147   8.7608  423.280   18.706   0.0000   0.0000  423.280   18.706  ?   ?   395.147   8.7608      ?      ? 
1 1 1    9   18   32 o  279.145   6.1597  211.894   9.2638  196.196   13.238  226.960   12.968  268.937   9.1091  289.353   8.2941 -20.41592 12.31939 
1 1 1    9   18   33 o  198.806   6.8927  108.988   7.2906   91.890   10.665  123.987   9.9889  183.834   10.736  213.778   8.6470 -29.94400 13.78550 
1 1 1    9   18   34 o  176.751   7.3157   86.325   6.8749   73.835   10.156   96.890   9.3406  164.633   11.416  188.869   9.1522 -24.23634 14.63144 
1 1 1    9   18   35 o  254.757   8.4076  189.528   10.356  146.622   18.232  209.964   12.583  231.373   14.583  278.141   8.3720 -46.76797 16.81510 
1 1 1    9   18   36 o  113.832   15.511   41.607   8.4174   25.743   14.970   48.941   10.179   94.027   27.634  133.638   14.095 -39.61141 31.02139 
1 1 1    9   18   37 o  123.019   14.039   45.757   8.1921   35.473   14.208   50.878   10.027  109.865   24.550  136.173   13.626 -26.30730 28.07801 
1 1 1    9   18   38 o  200.228   9.6308  115.929   9.7902   89.752   15.705  132.568   12.521  180.083   16.139  220.373   10.515 -40.28978 19.26168 
1 1 1    9   18   39 o  261.909   7.9394  197.630   10.154  162.883   17.934  214.022   12.318  243.289   13.642  280.529   8.1259 -37.23987 15.87871 
1 1 1    9   18   40 o   59.744   16.087   7.8862   6.2774   4.7770   14.162   8.6464   7.0030   62.509   25.817   56.979   19.201 5.529911 32.17459 
1 1 1    9   18   41 o  296.118   10.245  240.090   16.393   0.0000   0.0000  240.090   16.393  ?   ?   296.118   10.245      ?      ? 
1 1 1    9   18   42 f   50.016   12.895   4.0467   5.4124  -7.2058   8.7016   11.147   6.9123   37.716   17.558   62.316   18.890 -24.59927 25.78959 
1 1 1    9   18   43 o  182.975   8.8282   91.512   8.7287   0.0000   0.0000   91.512   8.7287  ?   ?   182.975   8.8282      ?      ? 
1 1 1    9   18   44 o  152.017   7.6105   65.050   6.1013   55.211   9.2265   72.696   8.1335  141.191   12.093  162.843   9.2431 -21.65219 15.22107 
1 1 1    9   18   45 o   81.204   12.670   20.115   5.4200   15.240   8.6693   23.243   6.9446   71.334   21.047   91.075   14.111 -19.74062 25.34006 
1 1 1    9   18   46 o  248.391   6.0960  169.418   8.1107  168.011   12.277  170.507   10.804  247.219   9.1901  249.564   8.0116 -2.344238 12.19195 
1 1 1    9   18   47 o   65.404   21.325   12.645   8.6558   12.645   8.6558   0.0000   0.0000   65.404   21.325  ?   ?       ?      ? 
1 1 1    9   18   48 o  182.486   6.8347   90.389   6.6439  101.377   10.511   83.077   8.5740  191.350   10.165  173.623   9.1388 17.72731 13.66936 
1 1 1    9   18   49 o  124.646   8.7505   43.450   5.6879   44.565   9.3931   42.804   7.1472  125.277   13.876  124.014   10.665 1.263451 17.50092 
1 1 1    9   18   50 o  180.705   6.9507   91.553   6.6780   85.152   10.180   96.388   8.8477  174.602   10.790  186.807   8.7649 -12.20502 13.90135 
1 1 1    9   18   51 o  122.252   9.4261   43.738   5.9865   36.678   9.3440   48.653   7.7968  112.637   15.352  131.867   10.942 -19.23032 18.85215 
1 1 1    9   18   52 o  240.512   6.2984  160.125   8.1096  162.264   12.367  158.512   10.741  241.515   9.4762  239.510   8.2994 2.005325 12.59678 
1 1 1    9   18   53 o   66.646   14.365   14.319   5.7651   10.799   8.9146   16.850   7.5584   60.172   21.578   73.120   18.968 -12.94793 28.72985 
1 1 1    9   18   54 o   48.689   13.802   5.0264   5.7314   0.6913   8.7579   8.2738   7.5800   43.842   19.241   53.536   19.792 -9.694248 27.60344 
1 1 1    9   18   55 o   45.800   13.348  -1.0251   5.9503   11.030   9.2104  -9.6606   7.7954   59.786   21.863   31.813   15.320 27.97321 26.69630 
1 1 1    9   18   56 o   66.629   14.758   13.331   6.1265   21.657   9.5879   7.5865   7.9646   80.480   21.597   52.777   20.119 27.70280 29.51632 
1 1 1    9   18   57 o   41.857   13.198   0.8805   6.0360   0.1621   9.0936   1.4462   8.0703   42.036   18.949   41.678   18.375 0.3583679 26.39526 
1 1 1    9   18   58 f   51.863   14.111   5.8950   6.0924   14.655   9.0606  -1.3336   8.2308   64.307   21.839   39.419   17.874 24.88750 28.22147 
1 1 1    9   18   59 o   30.663   10.611 -11.5296   5.8028  -9.3374   8.6755 -13.3045   7.8061   32.880   15.914   28.447   14.041 4.432878 21.22246 
1 1 1    9   19    0 o  818.518   10.374  1812.53   45.846  1762.80   63.305  1867.38   66.484  806.746   14.521  830.290   14.818 -23.54370 20.74743 
1 1 1    9   19    1 o  1133.18   13.824  3484.61   84.640  3455.52  118.699  3514.70  120.727  1128.39   19.467  1137.97   19.633 -9.578857 27.64794 
1 1 1    9   19    2 o  452.777   6.9232  554.213   16.931  564.268   24.394  544.866   23.518  456.733   9.8839  448.821   9.6971 7.911407 13.84647 
1 1 1    9   19    4 o  588.674   9.4843  941.388   28.675  928.378   48.665  948.308   35.491  585.346   15.386  592.001   11.095 -6.655396 18.96858 
1 1 1    9   19    5 o  200.652   8.3112  108.871   9.0115   0.0000   0.0000  108.871   9.0115  ?   ?   200.652   8.3112      ?      ? 
1 1 1    9   19    6 o  1064.49   13.059  3067.93   75.120   0.0000   0.0000  3067.93   75.120  ?   ?   1064.49   13.059      ?      ? 
1 1 1    9   19    7 o  708.433   13.266  1358.87   50.783   0.0000   0.0000  1358.87   50.783  ?   ?   708.433   13.266      ?      ? 
1 1 1    9   19    8 o  574.302   7.9634  891.799   24.713   0.0000   0.0000  891.799   24.713  ?   ?   574.302   7.9634      ?      ? 
1 1 1    9   19    9 o  655.652   12.595  1163.65   44.624   0.0000   0.0000  1163.65   44.624  ?   ?   655.652   12.595      ?      ? 
1 1 1    9   19   10 o  272.821   8.8117  201.288   12.991   0.0000   0.0000  201.288   12.991  ?   ?   272.821   8.8117      ?      ? 
1 1 1    9   19   12 o   65.702   19.078   11.945   7.1737   0.0000   0.0000   11.945   7.1737  ?   ?    65.702   19.078      ?      ? 
1 1 1    9   19   13 o  154.744   9.2285   64.772   7.7167   0.0000   0.0000   64.772   7.7167  ?   ?   154.744   9.2285      ?      ? 
1 1 1    9   19   14 o  344.431   7.3129  320.761   13.611   0.0000   0.0000  320.761   13.611  ?   ?   344.431   7.3129      ?      ? 
1 1 1    9   19   15 o  808.882   10.283  1770.34   44.946   0.0000   0.0000  1770.34   44.946  ?   ?   808.882   10.283      ?      ? 
1 1 1    9   19   16 o  784.448   11.512  1664.21   42.110  1677.93   84.783  1659.72   48.518  785.851   19.966  783.044   11.466 2.807373 23.02402 
1 1 1    9   19   17 o  105.122   14.067   28.201   7.2085   39.414   13.387   23.622   8.5547  118.527   21.701   91.717   17.904 26.81015 28.13317 
1 1 1    9   19   18 o  338.349   9.4135  309.781   17.211   0.0000   0.0000  309.781   17.211  ?   ?   338.349   9.4135      ?      ? 
1 1 1    9   19   21 o  218.666   7.3734  129.475   8.7107  126.337   12.298  132.634   12.340  216.002   10.537  221.330   10.317 -5.327347 14.74678 
1 1 1    9   19   22 o  364.277   6.6551  359.026   13.095  345.416   18.274  373.389   18.773  357.182   9.4682  371.372   9.3550 -14.19046 13.31025 
1 1 1    9   19   23 o  1074.38   18.652  3146.75  108.283   0.0000   0.0000  3146.75  108.283  ?   ?   1074.38   18.652      ?      ? 
1 1 1    9   19   24 o  385.104   9.4714  401.666   19.710  401.666   19.710   0.0000   0.0000  385.104   9.4714  ?   ?       ?      ? 
1 1 1    9   19   25 o  340.697   6.4675  313.327   11.887  292.786   16.292  336.706   17.382  328.795   9.1700  352.599   9.1227 -23.80386 12.93498 
1 1 1    9   19   26 o  431.099   9.5015  503.542   22.134   0.0000   0.0000  503.542   22.134  ?   ?   431.099   9.5015      ?      ? 
1 1 1    9   19   27 o  515.101   7.3668  718.627   20.490  690.310   28.344  749.623   29.655  504.491   10.397  525.710   10.439 -21.21884 14.73360 
1 1 1    9   19   28 o  141.305   9.4429   54.141   7.1920   59.863   10.494   49.073   9.8759  148.339   13.092  134.270   13.612 14.06937 18.88584 
1 1 1    9   19   30 o  383.589   6.4749  397.068   13.384  361.949   18.226  438.167   19.717  365.264   9.2343  401.913   9.0788 -36.64908 12.94979 
1 1 1    9   19   31 o  131.818   15.277   60.625   8.2551   30.248   16.337   71.041   9.5663  102.012   28.524  161.624   10.953 -59.61194 30.55485 
1 1 1    9   19   32 o  480.655   9.9402  628.184   25.734  567.342   34.976  700.000   38.000  455.363   14.214  505.946   13.899 -50.58218 19.88046 
1 1 1    9   19   33 o  193.845   11.058  108.066   10.612   89.752   18.331  117.297   13.015  180.225   18.823  207.466   11.609 -27.24081 22.11509 
1 1 1    9   19   34 o  193.516   10.745  106.057   10.558   92.477   17.665  113.604   13.169  182.989   17.865  204.044   11.944 -21.05562 21.48978 
1 1 1    9   19   35 o  129.832   14.796   53.262   9.0400   33.108   14.937   64.910   11.356  105.813   26.251  153.851   13.659 -48.03796 29.59177 
1 1 1    9   19   36 o  173.525   7.3309   81.999   6.8547   84.100   10.131   80.225   9.3095  175.520   10.681  171.530   10.044 3.989685 14.66172 
1 1 1    9   19   37 o  203.820   6.7439  113.958   7.3745  105.151   10.819  121.602   10.079  196.288   10.200  211.351   8.8251 -15.06303 13.48774 
1 1 1    9   19   38 o  285.036   8.2283  221.063   12.674   0.0000   0.0000  221.063   12.674  ?   ?   285.036   8.2283      ?      ? 
1 1 1    9   19   39 o  455.379   9.3938  566.177   23.115   0.0000   0.0000  566.177   23.115  ?   ?   455.379   9.3938      ?      ? 
1 1 1    9   19   40 o  162.947   10.928   78.768   7.7385   65.766   16.226   82.596   8.8044  152.076   19.745  173.818   9.3738 -21.74298 21.85698 
1 1 1    9   19   41 o  189.771   7.7013   98.782   7.8902   94.293   10.892  103.739   11.445  185.245   10.881  194.296   10.901 -9.050888 15.40251 
1 1 1    9   19   42 o  167.898   8.0418   77.714   7.2957   78.665   10.362   76.779   10.274  168.922   11.352  166.873   11.394 2.049438 16.08352 
1 1 1    9   19   43 o   57.704   13.808   9.2268   5.4059   3.2901   8.9637   12.620   6.7771   50.031   20.588   65.377   18.404 -15.34589 27.61502 
1 1 1    9   19   44 o  116.049   9.7149   37.859   5.8848   37.053   9.5816   38.347   7.4570  114.506   15.486  117.594   11.735 -3.088158 19.42979 
1 1 1    9   19   45 o  167.933   7.3834   79.642   6.5073   69.633   10.094   86.761   8.5125  158.171   11.809  177.695   8.8653 -19.52409 14.76677 
1 1 1    9   19   46 o   52.021   13.840   6.4849   5.3271   3.1461   8.8771   8.3639   6.6595   49.181   20.387   54.862   18.723 -5.680138 27.67971 
1 1 1    9   19   47 o  151.485   7.5563   62.031   6.0540   72.181   9.8575   55.884   7.6712  160.901   11.338  142.068   9.9925 18.83289 15.11262 
1 1 1    9   19   48 o  154.761   7.9382   67.693   6.3558   64.042   10.461   69.829   8.0020  150.620   12.853  158.902   9.3192 -8.282501 15.87638 
1 1 1    9   19   49 o  114.942   9.8761   38.589   5.9178   33.809   9.3060   41.835   7.6679  107.868   15.965  122.015   11.630 -14.14752 19.75222 
1 1 1    9   19   50 o  100.258   11.383   30.479   5.7497   25.531   9.0272   33.857   7.4582   91.139   18.948  109.376   12.619 -18.23763 22.76538 
1 1 1    9   19   51 o  123.993   9.7520   45.978   6.2183   35.838   9.6245   53.244   8.1470  110.386   16.135  137.599   10.957 -27.21247 19.50392 
1 1 1    9   19   52 o   63.684   14.495   12.925   5.7825   9.6028   9.0649   15.205   7.5085   58.080   21.610   69.288   19.325 -11.20792 28.99025 
1 1 1    9   19   53 o  129.439   9.5071   50.599   6.3622   39.222   9.6656   59.297   8.4511  114.443   15.630  144.435   10.828 -29.99277 19.01421 
1 1 1    9   19   54 o   46.787   13.906   3.2370   6.0446  -0.3838   9.5626   5.6464   7.8008   44.347   19.752   49.228   19.580 -4.881191 27.81231 
1 1 1    9   19   55 o   41.033   13.058  -1.8050   6.1757  -7.1091   9.9540   1.5145   7.8745   38.980   18.349   43.087   18.583 -4.106445 26.11514 
1 1 1    9   19   56 o   50.521   14.472   6.4114   6.1425   12.117   9.7161   2.6126   7.9278   58.256   22.218   42.786   18.549 15.46998 28.94333 
1 1 1    9   19   57 o   44.582   13.662   2.1522   6.2222  -1.7674   9.2526   5.3882   8.4072   41.028   18.737   48.135   19.887 -7.107822 27.32391 
1 1 1    9   19   58 o   95.521   13.142   32.002   6.5329   24.133   9.6137   38.752   8.9048   79.947   21.698  111.095   14.833 -31.14756 26.28411 
1 1 1    9   20    0 o  748.333   9.6682  1514.24   39.058  1467.81   53.814  1565.92   56.778  736.248   13.526  760.418   13.818 -24.17072 19.33644 
1 1 1    9   20    2 o  194.845   8.0759  102.734   8.4991  102.565   11.838  102.913   12.210  194.685   11.253  195.006   11.587 -0.3208160 16.15188 
1 1 1    9   20    3 o  405.865   7.7566  438.400   15.976  466.892   28.299  425.071   19.355  415.286   12.611  396.443   9.0350 18.84372 15.51328 
1 1 1    9   20    4 o  404.159   7.7177  443.163   16.093  438.063   27.066  445.952   20.015  402.263   12.452  406.055   9.1219 -3.791748 15.43549 
1 1 1    9   20    5 o  1082.03   13.291  3170.54   77.709   0.0000   0.0000  3170.54   77.709  ?   ?   1082.03   13.291      ?      ? 
1 1 1    9   20    6 o   69.422   19.452   13.448   7.5895   0.0000   0.0000   13.448   7.5895  ?   ?    69.422   19.452      ?      ? 
1 1 1    9   20    7 o  503.118   7.4812  684.429   20.339   0.0000   0.0000  684.429   20.339  ?   ?   503.118   7.4812      ?      ? 
1 1 1    9   20    8 o  426.987   7.2003  492.944   16.613   0.0000   0.0000  492.944   16.613  ?   ?   426.987   7.2003      ?      ? 
1 1 1    9   20    9 o  480.434   8.4563  624.240   21.953   0.0000   0.0000  624.240   21.953  ?   ?   480.434   8.4563      ?      ? 
1 1 1    9   20   10 o  362.602   10.049  355.727   19.690   0.0000   0.0000  355.727   19.690  ?   ?   362.602   10.049      ?      ? 
1 1 1    9   20   11 o  410.202   6.9553  454.929   15.417   0.0000   0.0000  454.929   15.417  ?   ?   410.202   6.9553      ?      ? 
1 1 1    9   20   12 o  648.680   8.7222  1138.15   30.573   0.0000   0.0000  1138.15   30.573  ?   ?   648.680   8.7222      ?      ? 
1 1 1    9   20   13 o  446.640   7.1076  539.413   17.154   0.0000   0.0000  539.413   17.154  ?   ?   446.640   7.1076      ?      ? 
1 1 1    9   20   14 o  316.954   10.923  271.985   18.707   0.0000   0.0000  271.985   18.707  ?   ?   316.954   10.923      ?      ? 
1 1 1    9   20   15 o  766.770   9.8701  1591.31   40.895   0.0000   0.0000  1591.31   40.895  ?   ?   766.770   9.8701      ?      ? 
1 1 1    9   20   16 o  428.969   8.1660  487.438   17.486  526.802   32.052  470.758   20.864  440.845   13.455  417.094   9.2572 23.75079 16.33199 
1 1 1    9   20   17 o  308.148   7.5401  257.772   11.739  255.180   20.609  259.016   14.282  306.882   12.428  309.414   8.5422 -2.532043 15.08028 
1 1 1    9   20   18 o  623.639   9.5808  1067.98   28.399  1026.80   54.876  1083.04   33.189  614.758   16.519  632.520   9.7102 -17.76184 19.16169 
1 1 1    9   20   19 o  211.798   11.056  121.550   12.653  121.550   12.653   0.0000   0.0000  211.798   11.056  ?   ?       ?      ? 
1 1 1    9   20   20 o  271.548   7.0937  199.403   10.393  184.678   14.402  215.405   15.014  261.093   10.208  282.004   9.8525 -20.91086 14.18735 
1 1 1    9   20   22 o  257.604   6.9801  179.820   9.7062  178.983   14.033  180.587   13.440  257.013   10.104  258.195   9.6327 -1.182617 13.96021 
1 1 1    9   20   24 o  203.387   10.559  112.182   11.605   0.0000   0.0000  112.182   11.605  ?   ?   203.387   10.559      ?      ? 
1 1 1    9   20   26 o  321.483   6.5298  280.148   11.334  264.649   15.877  296.253   16.185  312.398   9.4053  330.569   9.0606 -18.17108 13.05966 
1 1 1    9   20   27 o  206.494   16.917  116.689   18.876  116.689   18.876   0.0000   0.0000  206.494   16.917  ?   ?       ?      ? 
1 1 1    9   20   28 o  352.640   9.4362  340.515   17.880  320.270   26.221  358.108   24.444  342.604   14.163  362.676   12.473 -20.07217 18.87245 
1 1 1    9   20   29 o  172.498   12.051   82.753   10.981   76.104   17.038   87.477   14.362  166.163   18.975  178.833   14.862 -12.66949 24.10287 
1 1 1    9   20   30 o  112.284   16.435   41.936   10.287   10.324   16.326   62.748   13.247   73.424   28.590  151.143   16.220 -77.71900 32.87017 
1 1 1    9   20   31 o   68.704   19.111   7.7201   9.8396   12.032   17.349   5.6757   11.947   76.776   29.589   60.633   24.194 16.14272 38.22157 
1 1 1    9   20   32 o  254.948   7.7694  174.276   10.423  165.417   13.163  189.167   17.066  246.603   9.8782  263.294   11.995 -16.69052 15.53879 
1 1 1    9   20   33 f  119.593   14.056   39.248   9.0835   0.0000   0.0000   39.248   9.0835  ?   ?   119.593   14.056      ?      ? 
1 1 1    9   20   34 o  618.000   11.647  1044.47   38.893   0.0000   0.0000  1044.47   38.893  ?   ?   618.000   11.647      ?      ? 
1 1 1    9   20   35 o  108.102   11.773   33.599   6.5329   27.938   9.7863   38.149   8.7742   98.447   19.085  117.756   13.789 -19.30878 23.54528 
1 1 1    9   20   36 o  412.251   9.0969  463.070   20.265   0.0000   0.0000  463.070   20.265  ?   ?   412.251   9.0969      ?      ? 
1 1 1    9   20   37 o  209.253   8.9755  119.392   10.149   0.0000   0.0000  119.392   10.149  ?   ?   209.253   8.9755      ?      ? 
1 1 1    9   20   38 o   60.953   13.431   6.8399   5.9298   20.231   8.9837  -3.4989   7.8937   82.769   20.252   39.136   17.647 43.63251 26.86181 
1 1 1    9   20   39 o  108.634   10.782   33.154   6.2175   31.556   9.5964   34.310   8.1625  106.007   16.753  111.261   13.577 -5.254128 21.56333 
1 1 1    9   20   40 o  229.183   8.9338  155.208   9.4603  125.293   18.062  166.517   11.106  211.396   15.812  246.970   8.3216 -35.57448 17.86770 
1 1 1    9   20   41 o   67.770   16.943   12.638   6.7404   7.7207   16.478   13.627   7.3867   67.654   27.886   67.886   19.250 -0.2321930 33.88506 
1 1 1    9   20   42 o  245.113   7.3018  164.841   9.6441  156.515   13.055  174.842   14.308  238.417   10.134  251.809   10.515 -13.39111 14.60354 
1 1 1    9   20   43 o   77.237   12.616   15.504   6.1848   33.268   9.4062   1.9750   8.2087  108.161   16.094   46.313   19.432 61.84843 25.23125 
1 1 1    9   20   44 o  139.926   8.6461   55.629   6.3484   49.877   9.9292   59.606   8.2565  133.080   13.807  146.773   10.410 -13.69333 17.29220 
1 1 1    9   20   45 o   37.147   12.118  -4.7850   5.5326  -6.2359   8.9619  -3.8914   7.0328   38.676   17.942   35.617   16.293 3.058846 24.23573 
1 1 1    9   20   46 o  179.031   7.3837   88.254   6.9695   92.617   11.263   85.547   8.8723  182.090   11.446  175.972   9.3305 6.118546 14.76741 
1 1 1    9   20   47 f  319.887   8.2883  281.799   14.327   0.0000   0.0000  281.799   14.327  ?   ?   319.887   8.2883      ?      ? 
1 1 1    9   20   48 o   82.147   13.463   21.367   5.7538   18.489   9.4008   23.090   7.2759   76.176   21.757   88.118   15.864 -11.94149 26.92638 
1 1 1    9   20   49 o  109.748   10.414   34.173   6.0768   37.654   9.6487   31.885   7.8233  113.851   15.683  105.645   13.704 8.206841 20.82732 
1 1 1    9   20   50 o  116.305   9.8024   37.211   5.9820   46.882   10.039   31.887   7.4489  127.070   14.620  105.540   13.061 21.53050 19.60480 
1 1 1    9   20   51 o   93.004   12.524   25.540   6.0808   38.031   9.4611   16.749   7.9374  113.709   15.398   72.299   19.755 41.41017 25.04721 
1 1 1    9   20   52 o   88.680   13.280   25.041   6.0584   26.144   9.6331   24.320   7.7924   89.033   20.453   88.326   16.943 0.7067642 26.55934 
1 1 1    9   20   53 o   84.667   14.161   22.735   6.3572   28.178   9.7768   18.748   8.3677   93.517   19.955   75.818   20.099 17.69847 28.32270 
1 1 1    9   20   54 o   76.136   15.293   19.642   6.5262   20.380   10.129   19.118   8.5338   76.550   22.790   75.723   20.398 0.8270340 30.58562 
1 1 1    9   20   55 o  134.030   9.9084   56.103   6.9566   46.380   10.438   63.873   9.3310  121.009   15.963  147.052   11.743 -26.04320 19.81686 
1 1 1    9   20   56 o   77.988   14.722   22.153   6.5960   15.440   9.9946   27.334   8.7795   65.100   22.901   90.876   18.507 -25.77628 29.44425 
1 1 1    9   20   57 f   62.215   15.184   14.757   6.2260   13.618   9.1651   15.732   8.4840   59.912   21.824   64.517   21.116 -4.605186 30.36743 
1 1 1    9   21    0 o  418.270   6.9949  473.280   15.806  475.343   22.612  471.308   22.104  419.156   9.9831  417.384   9.8006 1.772278 13.98981 
1 1 1    9   21    1 o  419.305   7.1059  475.716   16.099  472.719   22.848  478.672   22.689  417.989   10.116  420.620   9.9826 -2.631622 14.21185 
1 1 1    9   21    2 o  513.331   8.3951  710.198   20.512  720.045   40.098  706.707   23.872  515.494   14.395  511.169   8.6426 4.325012 16.79021 
1 1 1    9   21    3 o   85.918   15.901   20.925   7.2889   19.637   12.167   21.646   9.1033   84.286   24.952   87.550   19.716 -3.263535 31.80149 
1 1 1    9   21    4 o  359.391   8.9933  349.379   17.465   0.0000   0.0000  349.379   17.465  ?   ?   359.391   8.9933      ?      ? 
1 1 1    9   21    5 o  361.000   6.9643  352.356   13.585   0.0000   0.0000  352.356   13.585  ?   ?   361.000   6.9643      ?      ? 
1 1 1    9   21    6 o  395.847   7.1014  423.693   15.190   0.0000   0.0000  423.693   15.190  ?   ?   395.847   7.1014      ?      ? 
1 1 1    9   21    7 o  599.554   8.3438  972.317   27.032   0.0000   0.0000  972.317   27.032  ?   ?   599.554   8.3438      ?      ? 
1 1 1    9   21    8 o  106.320   14.768   30.655   8.4844   0.0000   0.0000   30.655   8.4844  ?   ?   106.320   14.768      ?      ? 
1 1 1    9   21   10 o  138.240   11.018   51.747   8.2307   0.0000   0.0000   51.747   8.2307  ?   ?   138.240   11.018      ?      ? 
1 1 1    9   21   11 o  505.145   10.150  690.715   27.706   0.0000   0.0000  690.715   27.706  ?   ?   505.145   10.150      ?      ? 
1 1 1    9   21   12 o  142.920   10.381   55.297   8.0175   0.0000   0.0000   55.297   8.0175  ?   ?   142.920   10.381      ?      ? 
1 1 1    9   21   13 o  405.263   6.9477  444.153   15.215   0.0000   0.0000  444.153   15.215  ?   ?   405.263   6.9477      ?      ? 
1 1 1    9   21   14 o  567.606   9.4842  872.102   29.089   0.0000   0.0000  872.102   29.089  ?   ?   567.606   9.4842      ?      ? 
1 1 1    9   21   15 o  139.407   10.049   52.632   7.5698   0.0000   0.0000   52.632   7.5698  ?   ?   139.407   10.049      ?      ? 
1 1 1    9   21   16 o  344.644   10.966  321.902   20.422   0.0000   0.0000  321.902   20.422  ?   ?   344.644   10.966      ?      ? 
1 1 1    9   21   17 o  681.146   10.280  1252.84   32.528  1275.68   65.995  1245.51   37.384  684.262   17.848  678.029   10.204 6.232605 20.55917 
1 1 1    9   21   18 o  111.651   14.062   35.130   7.2986   33.716   14.055   35.653   8.5404  108.727   24.509  114.576   13.794 -5.848541 28.12390 
1 1 1    9   21   19 o  502.827   14.399  687.162   39.122  687.162   39.122   0.0000   0.0000  502.827   14.399  ?   ?       ?      ? 
1 1 1    9   21   21 o  322.488   6.7237  282.031   11.707  275.811   16.779  287.931   16.343  318.998   9.7340  325.979   9.2781 -6.981171 13.44744 
1 1 1    9   21   22 o   66.856   16.639   10.845   7.5493   7.8052   11.221   13.360   10.204   62.858   23.900   70.853   23.156 -7.995842 33.27803 
1 1 1    9   21   23 o  138.225   15.581   49.228   9.7974   62.207   20.528   45.400   11.149  147.497   26.741  128.953   16.000 18.54349 31.16210 
1 1 1    9   21   24 o  155.561   16.015   70.878   12.283   56.982   19.927   79.392   15.599  140.771   27.181  170.350   16.945 -29.57915 32.03058 
1 1 1    9   21   25 o  569.944   11.435  877.149   34.979  789.414   46.330  993.468   53.346  537.312   15.957  602.576   16.383 -65.26324 22.86988 
1 1 1    9   21   26 o  102.419   19.834   29.076   11.022   37.027   18.243   24.504   13.833  112.480   29.609   92.359   26.396 20.12102 39.66701 
1 1 1    9   21   27 o  291.618   10.008  236.907   15.461  193.288   22.608  275.225   21.190  265.511   15.758  317.725   12.342 -52.21432 20.01614 
1 1 1    9   21   28 o  287.813   7.7914  219.324   11.635  204.636   14.349  247.523   19.881  274.386   9.6774  301.239   12.214 -26.85315 15.58282 
1 1 1    9   21   29 o  370.719   9.0090  373.272   18.047   0.0000   0.0000  373.272   18.047  ?   ?   370.719   9.0090      ?      ? 
1 1 1    9   21   30 o  340.142   8.8628  314.338   16.290   0.0000   0.0000  314.338   16.290  ?   ?   340.142   8.8628      ?      ? 
1 1 1    9   21   31 o  309.094   8.8924  259.779   14.852   0.0000   0.0000  259.779   14.852  ?   ?   309.094   8.8924      ?      ? 
1 1 1    9   21   32 o  293.257   8.7866  233.979   13.924   0.0000   0.0000  233.979   13.924  ?   ?   293.257   8.7866      ?      ? 
1 1 1    9   21   33 o  285.024   8.9067  221.168   13.718   0.0000   0.0000  221.168   13.718  ?   ?   285.024   8.9067      ?      ? 
1 1 1    9   21   34 o  164.927   8.2100   74.785   7.2466   72.315   10.930   76.722   9.6797  162.318   12.462  167.537   10.692 -5.218887 16.41995 
1 1 1    9   21   35 o  289.165   6.4261  228.676   10.001  219.222   14.624  236.985   13.709  283.395   9.5494  294.936   8.6017 -11.54095 12.85227 
1 1 1    9   21   36 o  237.542   6.8351  155.688   8.6913  136.747   12.604  172.861   12.001  223.405   10.441  251.678   8.8244 -28.27278 13.67021 
1 1 1    9   21   37 o  167.561   7.9318   76.701   7.1356   81.283   10.835   73.191   9.4822  171.834   11.669  163.287   10.747 8.546997 15.86370 
1 1 1    9   21   38 o  193.058   9.6005  102.072   10.015   0.0000   0.0000  102.072   10.015  ?   ?   193.058   9.6005      ?      ? 
1 1 1    9   21   39 f  156.427   8.1966   67.596   6.8882   67.400   10.298   67.754   9.2664  156.036   12.213  156.818   10.935 -0.7824402 16.39321 
1 1 1    9   21   40 o   51.211   13.366   3.3855   5.9599  -9.0801   9.1742   12.488   7.8394   37.169   17.533   65.253   20.180 -28.08385 26.73258 
1 1 1    9   21   41 o   42.062   13.673  -4.2385   6.6119 -31.9144   16.675   0.9248   7.2023   41.686   20.565   42.438   18.024 -0.7517967 27.34610 
1 1 1    9   21   42 o  159.565   8.3564   70.392   7.0575   73.336   11.259   68.487   9.0576  161.854   12.874  157.277   10.658 4.576630 16.71285 
1 1 1    9   21   43 o  316.154   10.860  277.252   18.554   0.0000   0.0000  277.252   18.554  ?   ?   316.154   10.860      ?      ? 
1 1 1    9   21   44 o  171.485   7.6264   82.482   6.9045   77.896   10.810   85.643   8.9733  166.856   11.989  176.114   9.4292 -9.257584 15.25288 
1 1 1    9   21   45 o  193.253   7.0397  102.868   7.2474  107.878   11.343   99.413   9.4209  196.830   10.665  189.676   9.1916 7.154144 14.07942 
1 1 1    9   21   46 o  123.615   9.6118   42.791   6.2536   46.765   10.226   40.417   7.9037  127.512   14.842  119.717   12.218 7.794327 19.22361 
1 1 1    9   21   47 o   44.992   13.502   1.3336   5.6440   4.3907   8.8765  -0.7412   7.3125   50.221   20.556   39.762   17.513 10.45892 27.00491 
1 1 1    9   21   48 o  224.655   6.8236  142.382   8.1628  123.813   12.045  158.152   11.100  210.239   10.603  239.071   8.5924 -28.83243 13.64730 
1 1 1    9   21   49 o  146.382   8.6076   60.249   6.6458   63.973   10.743   57.940   8.4586  149.294   13.316  143.470   10.911 5.823959 17.21522 
1 1 1    9   21   50 o  176.095   7.7576   88.940   7.2214   82.162   11.162   93.819   9.4703  169.270   12.203  182.919   9.5811 -13.64914 15.51523 
1 1 1    9   21   51 o   80.758   14.584   21.160   6.3221   24.777   9.8609   18.636   8.2379   86.148   21.302   75.367   19.925 10.78086 29.16816 
1 1 1    9   21   53 o   99.385   12.894   32.549   6.5584   27.069   10.080   36.573   8.6365   88.489   21.330  110.280   14.493 -21.79094 25.78774 
1 1 1    9   21   54 o   63.728   15.083   13.714   6.2452   20.604   9.6740   8.7914   8.1774   74.597   22.288   52.859   20.330 21.73847 30.16687 
1 1 1    9   21   55 o   49.538   13.370   4.2774   6.1794  -9.1458   9.3355   14.745   8.2440   34.904   16.797   64.172   20.805 -29.26802 26.73959 
1 1 1    9   22    0 f  271.980   9.9687  200.221   14.651  200.221   14.651   0.0000   0.0000  271.980   9.9687  ?   ?       ?      ? 
1 1 1    9   22    2 o  723.885   10.740  1413.96   36.521  1437.39   72.864  1406.10   42.206  727.130   18.545  720.640   10.838 6.489868 21.47953 
1 1 1    9   22    3 o  263.982   7.2643  186.727   9.7050  194.077   17.186  183.286   11.759  267.671   11.882  260.292   8.3606 7.379547 14.52862 
1 1 1    9   22    4 o  422.956   7.1335  483.784   16.304   0.0000   0.0000  483.784   16.304  ?   ?   422.956   7.1335      ?      ? 
1 1 1    9   22    5 o  237.997   7.6733  153.207   9.8683   0.0000   0.0000  153.207   9.8683  ?   ?   237.997   7.6733      ?      ? 
1 1 1    9   22    6 o  172.431   9.4988   80.470   8.8505   0.0000   0.0000   80.470   8.8505  ?   ?   172.431   9.4988      ?      ? 
1 1 1    9   22    7 f  329.927   7.1707  294.401   12.784   0.0000   0.0000  294.401   12.784  ?   ?   329.927   7.1707      ?      ? 
1 1 1    9   22    9 o  242.426   13.252  159.420   17.359   0.0000   0.0000  159.420   17.359  ?   ?   242.426   13.252      ?      ? 
1 1 1    9   22   10 o  388.091   9.0690  407.749   19.019   0.0000   0.0000  407.749   19.019  ?   ?   388.091   9.0690      ?      ? 
1 1 1    9   22   11 f  604.446   12.403  990.998   40.509   0.0000   0.0000  990.998   40.509  ?   ?   604.446   12.403      ?      ? 
1 1 1    9   22   12 o  432.407   10.895  506.751   25.457   0.0000   0.0000  506.751   25.457  ?   ?   432.407   10.895      ?      ? 
1 1 1    9   22   13 o  323.700   8.7306  283.682   15.271   0.0000   0.0000  283.682   15.271  ?   ?   323.700   8.7306      ?      ? 
1 1 1    9   22   14 o  190.845   15.837   99.087   16.332   0.0000   0.0000   99.087   16.332  ?   ?   190.845   15.837      ?      ? 
1 1 1    9   22   15 o   56.537   20.112   7.5278   7.7291   0.0000   0.0000   7.5278   7.7291  ?   ?    56.537   20.112      ?      ? 
1 1 1    9   22   16 o  515.386   10.221  719.932   28.465   0.0000   0.0000  719.932   28.465  ?   ?   515.386   10.221      ?      ? 
1 1 1    9   22   17 f  188.485   9.0829   96.245   9.2510   0.0000   0.0000   96.245   9.2510  ?   ?   188.485   9.0829      ?      ? 
1 1 1    9   22   18 o  259.946   8.7702  183.071   12.319   0.0000   0.0000  183.071   12.319  ?   ?   259.946   8.7702      ?      ? 
1 1 1    9   22   20 o  335.362   10.249  306.283   18.438  308.559   27.842  304.504   24.608  336.300   15.321  334.423   13.617 1.876343 20.49770 
1 1 1    9   22   21 o  432.443   10.503  511.788   24.454  486.036   35.553  534.910   33.689  421.873   15.596  443.014   14.073 -21.14117 21.00639 
1 1 1    9   22   22 o  180.206   15.067   95.351   13.609   70.653   22.014  110.631   17.315  159.264   25.580  201.149   15.930 -41.88495 30.13416 
1 1 1    9   22   23 o   79.894   28.013   16.203   14.949   0.0000   0.0000   16.203   14.949  ?   ?    79.894   28.013      ?      ? 
1 1 1    9   22   24 o  102.149   14.007   29.767   7.4513   30.953   10.533   28.579   10.542  104.327   19.398   99.971   20.210 4.355934 28.01304 
1 1 1    9   22   25 o  179.276   8.3809   87.577   8.1151   88.648   11.686   86.580   11.278  180.316   11.993  178.237   11.710 2.078125 16.76171 
1 1 1    9   22   26 o  530.931   10.690  767.188   30.669   0.0000   0.0000  767.188   30.669  ?   ?   530.931   10.690      ?      ? 
1 1 1    9   22   27 o  241.282   9.6634  158.282   12.599   0.0000   0.0000  158.282   12.599  ?   ?   241.282   9.6634      ?      ? 
1 1 1    9   22   28 o  301.267   9.8027  246.993   15.958  246.993   15.958   0.0000   0.0000  301.267   9.8027  ?   ?       ?      ? 
1 1 1    9   22   29 o   85.020   15.176   21.044   6.9576   21.095   10.262   21.000   9.4649   85.051   22.121   84.988   20.783 0.6245422E-01 30.35202 
1 1 1    9   22   30 o   57.148   15.424   5.6144   6.8754   11.252   10.035   0.6266   9.4387   65.872   22.960   48.425   20.602 17.44738 30.84803 
1 1 1    9   22   31 o  138.898   9.5539   52.854   7.1446   55.291   10.654   50.862   9.6309  141.724   13.912  136.072   13.098 5.651947 19.10789 
1 1 1    9   22   32 o  151.273   8.9837   62.496   7.3207   67.681   10.887   58.216   9.8905  156.942   12.838  145.604   12.571 11.33797 17.96731 
1 1 1    9   22   33 o  199.208   10.241  108.504   11.024   0.0000   0.0000  108.504   11.024  ?   ?   199.208   10.241      ?      ? 
1 1 1    9   22   34 o  176.260   7.9170   85.676   7.4966   81.113   11.028   89.595   10.221  171.699   11.886  180.821   10.461 -9.121765 15.83403 
1 1 1    9   22   35 o   85.687   14.359   21.306   6.5656   27.045   9.9185   16.830   8.7593   95.923   19.792   75.450   20.810 20.47341 28.71864 
1 1 1    9   22   36 o  359.593   6.5364  354.126   12.669  348.148   18.496  359.410   17.388  356.556   9.6000  362.630   8.8735 -6.074493 13.07285 
1 1 1    9   22   37 o  346.811   8.7581  329.027   16.413   0.0000   0.0000  329.027   16.413  ?   ?   346.811   8.7581      ?      ? 
1 1 1    9   22   38 o  144.214   9.0501   58.059   6.9683   56.530   10.622   59.214   9.2328  142.193   13.824  146.235   11.684 -4.041229 18.10017 
1 1 1    9   22   39 o  236.020   8.9837  152.830   11.458   0.0000   0.0000  152.830   11.458  ?   ?   236.020   8.9837      ?      ? 
1 1 1    9   22   40 o   48.343   14.105   3.0867   5.9788   1.0390   9.2326   4.5656   7.8463   47.247   20.245   49.438   19.645 -2.191059 28.20974 
1 1 1    9   22   41 o   74.296   12.672   16.573   6.3786  -0.7582   9.6667   29.938   8.4889   45.979   20.196  102.612   15.310 -56.63304 25.34315 
1 1 1    9   22   42 o  111.879   16.460   41.487   7.6368   33.964   17.878   43.166   8.4461   99.694   30.415  124.064   12.599 -24.37009 32.92068 
1 1 1    9   22   43 o  169.433   8.8439   81.133   8.0526   86.762   11.113   74.910   11.684  176.078   11.680  162.788   13.283 13.29042 17.68788 
1 1 1    9   22   44 o   53.639   14.588   4.4067   6.5439  -3.3823   8.9489   13.358   9.5935   40.996   18.608   66.281   22.473 -25.28592 29.17649 
1 1 1    9   22   45 o  128.308   9.8922   48.670   6.5762   35.625   9.6794   59.853   8.9622  110.569   16.200  146.047   11.356 -35.47752 19.78432 
1 1 1    9   22   46 o  193.402   9.4048  103.787   9.8288   0.0000   0.0000  103.787   9.8288  ?   ?   193.402   9.4048      ?      ? 
1 1 1    9   22   47 o  142.465   8.9188   58.273   6.7465   55.329   10.380   60.426   8.8773  138.550   13.865  146.380   11.223 -7.830124 17.83769 
1 1 1    9   22   48 o  102.598   12.273   30.776   6.5494   37.779   10.629   26.490   8.3156  112.118   17.544   93.077   17.166 19.04134 24.54509 
1 1 1    9   22   49 o   66.784   14.360   15.233   6.1320   7.5196   9.7834   20.225   7.8697   54.301   21.815   79.268   18.679 -24.96686 28.71924 
1 1 1    9   22   50 o   71.266   15.502   16.775   6.4199   18.047   10.453   16.005   8.1350   72.638   23.414   69.893   20.322 2.744804 31.00356 
1 1 1    9   22   51 o   52.664   15.063   6.3640   6.5399   7.8214   10.300   5.3797   8.4650   55.604   22.368   49.723   20.180 5.880810 30.12595 
1 1 1    9   22   52 o   37.201   12.184  -5.7371   6.3434 -18.4223   10.205   2.2498   8.0977   31.630   15.691   42.771   18.643 -11.14061 24.36756 
1 1 1    9   22   53 o   93.965   13.512   30.652   6.6180   21.739   10.117   37.318   8.7494   77.043   22.739  110.887   14.602 -33.84402 27.02375 
1 1 1    9   22   54 o   67.481   14.638   17.154   6.4167   9.3048   9.6255   23.432   8.6085   53.557   21.595   81.405   19.767 -27.84874 29.27616 
1 1 1    9   23    0 o  134.403   16.005   49.130   11.624   0.0000   0.0000   49.130   11.624  ?   ?   134.403   16.005      ?      ? 
1 1 1    9   23    1 o  206.565   7.8665  110.612   8.2948  130.923   14.819  101.344   10.010  219.686   12.483  193.443   9.5761 26.24248 15.73308 
1 1 1    9   23    2 o  479.455   8.0615  616.909   18.475  636.712   36.027  609.844   21.519  484.251   13.768  474.659   8.3899 9.591858 16.12305 
1 1 1    9   23    3 o  277.833   8.0323  208.911   12.059   0.0000   0.0000  208.911   12.059  ?   ?   277.833   8.0323      ?      ? 
1 1 1    9   23    4 o  406.206   11.154  447.278   24.482   0.0000   0.0000  447.278   24.482  ?   ?   406.206   11.154      ?      ? 
1 1 1    9   23    5 o  286.771   7.1958  222.498   11.151   0.0000   0.0000  222.498   11.151  ?   ?   286.771   7.1958      ?      ? 
1 1 1    9   23    6 o  479.336   9.9715  622.446   25.828   0.0000   0.0000  622.446   25.828  ?   ?   479.336   9.9715      ?      ? 
1 1 1    9   23    7 o  525.698   15.119  751.351   42.948   0.0000   0.0000  751.351   42.948  ?   ?   525.698   15.119      ?      ? 
1 1 1    9   23    8 o  304.750   9.1451  251.512   15.060   0.0000   0.0000  251.512   15.060  ?   ?   304.750   9.1451      ?      ? 
1 1 1    9   23    9 o  361.723   7.8090  354.134   15.264   0.0000   0.0000  354.134   15.264  ?   ?   361.723   7.8090      ?      ? 
1 1 1    9   23   11 o  362.799   9.4985  356.611   18.621   0.0000   0.0000  356.611   18.621  ?   ?   362.799   9.4985      ?      ? 
1 1 1    9   23   12 o  153.197   12.804   63.748   10.600   0.0000   0.0000   63.748   10.600  ?   ?   153.197   12.804      ?      ? 
1 1 1    9   23   16 o  232.705   9.3070  146.838   11.703   0.0000   0.0000  146.838   11.703  ?   ?   232.705   9.3070      ?      ? 
1 1 1    9   23   17 o   93.065   16.828   24.396   8.1512   0.0000   0.0000   24.396   8.1512  ?   ?    93.065   16.828      ?      ? 
1 1 1    9   23   18 o  232.627   7.6298  151.778   8.6622  135.586   15.716  158.844   10.381  223.139   13.034  242.116   7.9349 -18.97733 15.25958 
1 1 1    9   23   19 o  192.400   8.2584  106.313   7.5699   88.378   13.977  113.757   9.0049  179.943   14.375  204.857   8.1347 -24.91446 16.51677 
1 1 1    9   23   20 o  313.841   7.3274  263.783   10.642  275.225   21.843  260.222   12.186  317.780   12.720  309.901   7.2767 7.878632 14.65471 
1 1 1    9   23   21 o  182.358   8.9083   89.959   8.7119  107.061   12.917   75.688   11.800  198.199   12.061  166.517   13.114 31.68182 17.81655 
1 1 1    9   23   22 o  195.976   8.3167  104.309   8.7915  111.949   12.889   97.662   12.022  202.661   11.770  189.290   11.753 13.37041 16.63343 
1 1 1    9   23   23 o   97.150   14.396   26.948   7.3084   24.085   9.9794   30.260   10.733   91.436   20.682  102.863   20.030 -11.42721 28.79109 
1 1 1    9   23   24 o  131.260   11.454   48.684   7.8456   35.225   11.297   61.225   10.904  112.893   18.518  149.626   13.487 -36.73283 22.90864 
1 1 1    9   23   25 o  286.390   6.8630  223.517   10.602  210.695   15.115  235.935   14.874  278.219   10.054  294.561   9.3450 -16.34177 13.72607 
1 1 1    9   23   26 o  253.407   9.6347  174.818   13.193   0.0000   0.0000  174.818   13.193  ?   ?   253.407   9.6347      ?      ? 
1 1 1    9   23   27 o  206.071   7.6080  116.137   8.4561  110.754   12.133  121.222   11.791  201.340   11.152  210.801   10.352 -9.461761 15.21606 
1 1 1    9   23   28 o  186.513   8.2257   95.629   8.2482   89.501   12.030  101.066   11.331  180.704   12.319  192.322   10.903 -11.61780 16.45147 
1 1 1    9   23   29 o  206.953   10.387  116.968   11.616   0.0000   0.0000  116.968   11.616  ?   ?   206.953   10.387      ?      ? 
1 1 1    9   23   30 o  132.122   10.061   48.184   7.1799   48.213   10.301   48.157   10.013  132.121   14.429  132.124   14.024 -0.2502441E-02 20.12143 
1 1 1    9   23   31 o  103.896   13.033   31.106   7.0832   27.655   10.372   34.122   9.6966   97.142   20.407  110.650   16.217 -13.50749 26.06663 
1 1 1    9   23   32 o  134.740   10.116   51.286   7.2090   40.677   10.412   61.055   9.9908  120.673   15.968  148.807   12.425 -28.13357 20.23240 
1 1 1    9   23   33 o  147.062   9.2362   60.458   7.2554   51.980   10.504   68.193   10.034  136.783   14.211  157.342   11.802 -20.55945 18.47231 
1 1 1    9   23   34 o  107.949   12.102   33.505   6.8310   30.721   10.054   35.892   9.3099  102.573   18.833  113.326   15.203 -10.75244 24.20349 
1 1 1    9   23   35 o  251.719   6.7993  174.893   9.1873  157.101   13.264  191.301   12.737  239.071   10.268  264.367   8.9164 -25.29626 13.59865 
1 1 1    9   23   36 o  134.748   9.8499   51.599   7.0290   45.490   10.633   56.341   9.3677  127.003   15.494  142.493   12.166 -15.49038 19.69981 
1 1 1    9   23   37 o  279.873   8.6945  214.688   13.149   0.0000   0.0000  214.688   13.149  ?   ?   279.873   8.6945      ?      ? 
1 1 1    9   23   38 o   50.778   14.695   3.3721   6.4493   6.7754   9.6518   0.6270   8.6685   56.090   21.943   45.466   19.553 10.62454 29.39055 
1 1 1    9   23   39 o   50.165   14.521   3.2591   6.2021   6.7595   9.7756   0.9008   8.0238   56.105   22.043   44.225   18.910 11.87943 29.04278 
1 1 1    9   23   40 o  138.514   9.6837   52.675   7.1427   63.341   11.335   45.649   9.1991  149.695   14.012  127.332   13.370 22.36243 19.36734 
1 1 1    9   23   41 o  106.853   11.569   32.810   6.5596   33.898   10.347   32.078   8.4821  107.703   17.778  106.003   14.808 1.699913 23.13716 
1 1 1    9   23   42 o  125.452   16.279   65.843   8.3393   24.392   18.281   76.735   9.3712   84.874   30.837  166.031   10.445 -81.15623 32.55808 
1 1 1    9   23   43 o   94.997   16.267   34.031   7.9195   15.757   17.483   38.749   8.8832   73.647   29.306  116.347   14.130 -42.69951 32.53405 
1 1 1    9   23   44 o  102.426   13.662   32.567   7.2844   38.281   9.9586   25.991   10.683  114.696   16.068   90.156   22.099 24.53989 27.32331 
1 1 1    9   23   45 o   97.474   13.276   31.621   6.8231   13.748   9.9498   47.488   9.3746   66.248   22.875  128.701   13.480 -62.45334 26.55121 
1 1 1    9   23   46 o   87.627   14.224   25.051   6.8004   17.836   10.298   30.629   9.0556   73.538   23.192  101.716   16.476 -28.17815 28.44832 
1 1 1    9   23   47 o  223.037   7.2800  141.127   8.6953  133.281   12.956  147.559   11.730  216.628   11.068  229.445   9.4607 -12.81752 14.56007 
1 1 1    9   23   48 o   72.426   23.886   18.224   10.848   18.224   10.848   0.0000   0.0000   72.426   23.886  ?   ?       ?      ? 
1 1 1    9   23   49 o  151.106   9.0588   63.136   7.2304   79.625   11.851   53.359   9.1257  165.872   13.222  136.340   12.387 29.53185 18.11758 
1 1 1    9   23   50 f   56.971   15.200   8.9302   6.5586   15.505   10.033   4.0245   8.6666   66.651   22.973   47.292   19.911 19.35895 30.40095 
1 1 1    9   23   51 o  225.227   9.3420  144.991   11.370   0.0000   0.0000  144.991   11.370  ?   ?   225.227   9.3420      ?      ? 
1 1 1    9   23   52 o  113.698   12.960   44.285   7.2137   29.010   10.838   56.433   9.6656   89.609   22.434  137.787   12.982 -48.17716 25.91953 
1 1 1    9   23   53 o   90.227   14.268   29.401   6.7057   28.211   10.481   30.225   8.7253   85.836   22.370   94.617   17.717 -8.781654 28.53582 
1 1 1    9   24    0 o  314.650   8.7617  268.699   14.877  266.892   20.474  270.721   21.653  313.567   12.083  315.733   12.691 -2.165771 17.52348 
1 1 1    9   24    1 o  208.843   9.2884  119.972   10.350  134.932   14.218  103.108   15.096  222.977   11.800  194.709   14.347 28.26778 18.57684 
1 1 1    9   24    2 o  393.165   9.0215  416.496   19.088  461.261   28.571  380.405   25.654  412.082   12.831  374.248   12.685 37.83395 18.04296 
1 1 1    9   24    4 o   67.277   23.434   11.192   10.453   0.0000   0.0000   11.192   10.453  ?   ?    67.277   23.434      ?      ? 
1 1 1    9   24    5 o  273.232   10.355  202.461   15.288   0.0000   0.0000  202.461   15.288  ?   ?   273.232   10.355      ?      ? 
1 1 1    9   24    7 o  184.068   23.771   93.468   23.644   0.0000   0.0000   93.468   23.644  ?   ?   184.068   23.771      ?      ? 
1 1 1    9   24    8 o  570.371   9.6123  882.100   29.626   0.0000   0.0000  882.100   29.626  ?   ?   570.371   9.6123      ?      ? 
1 1 1    9   24    9 f  265.564   9.0252  191.166   12.951   0.0000   0.0000  191.166   12.951  ?   ?   265.564   9.0252      ?      ? 
1 1 1    9   24   10 o  434.488   11.210  512.706   26.319   0.0000   0.0000  512.706   26.319  ?   ?   434.488   11.210      ?      ? 
1 1 1    9   24   11 o  120.642   12.159   39.573   7.9265   0.0000   0.0000   39.573   7.9265  ?   ?   120.642   12.159      ?      ? 
1 1 1    9   24   12 f  167.618   9.0722   76.187   8.2172   0.0000   0.0000   76.187   8.2172  ?   ?   167.618   9.0722      ?      ? 
1 1 1    9   24   13 o  116.139   12.560   36.708   7.8822   0.0000   0.0000   36.708   7.8822  ?   ?   116.139   12.560      ?      ? 
1 1 1    9   24   14 o  375.076   8.9134  381.557   18.066   0.0000   0.0000  381.557   18.066  ?   ?   375.076   8.9134      ?      ? 
1 1 1    9   24   15 o  185.917   15.605   94.553   15.678   0.0000   0.0000   94.553   15.678  ?   ?   185.917   15.605      ?      ? 
1 1 1    9   24   16 o  427.156   7.0628  494.339   16.302   0.0000   0.0000  494.339   16.302  ?   ?   427.156   7.0628      ?      ? 
1 1 1    9   24   17 f  154.134   9.1761   64.513   7.6426   0.0000   0.0000   64.513   7.6426  ?   ?   154.134   9.1761      ?      ? 
1 1 1    9   24   18 o  375.518   6.7619  382.101   13.721   0.0000   0.0000  382.101   13.721  ?   ?   375.518   6.7619      ?      ? 
1 1 1    9   24   19 o  126.739   10.736   45.621   6.4701   40.608   12.206   47.580   7.6304  121.257   18.628  132.222   10.680 -10.96523 21.47206 
1 1 1    9   24   20 o  254.924   7.1422  181.428   8.7381  166.396   16.411  187.376   10.323  246.953   12.298  262.895   7.2668 -15.94197 14.28437 
1 1 1    9   24   21 o  151.270   9.4341   54.817   6.6779   78.986   14.365   48.154   7.5423  169.543   15.680  132.996   10.495 36.54764 18.86814 
1 1 1    9   24   22 o  403.608   6.9826  441.653   15.199  411.436   20.767  476.512   22.305  388.796   9.8846  418.421   9.8650 -29.62524 13.96510 
1 1 1    9   24   23 o   50.780   14.707  -2.0385   7.4334 -14.9487   10.764   9.7297   10.277   37.874   18.178   63.686   23.124 -25.81153 29.41342 
1 1 1    9   24   24 o  226.166   10.528  139.588   12.866   0.0000   0.0000  139.588   12.866  ?   ?   226.166   10.528      ?      ? 
1 1 1    9   24   26 o  251.529   7.0895  172.721   9.6102  156.779   13.469  189.255   13.716  239.605   10.403  263.454   9.6347 -23.84824 14.17902 
1 1 1    9   24   27 o  238.357   7.4553  156.004   9.5478  138.365   13.597  173.162   13.410  224.830   11.191  251.884   9.8527 -27.05403 14.91055 
1 1 1    9   24   28 o  125.047   11.507   43.647   7.7452   41.883   11.313   45.203   10.626  122.472   17.094  127.622   15.409 -5.149864 23.01382 
1 1 1    9   24   29 o  194.430   11.145  103.765   11.709   0.0000   0.0000  103.765   11.709  ?   ?   194.430   11.145      ?      ? 
1 1 1    9   24   30 o  335.216   9.2779  307.178   16.806   0.0000   0.0000  307.178   16.806  ?   ?   335.216   9.2779      ?      ? 
1 1 1    9   24   31 o  449.557   9.9612  553.829   24.198   0.0000   0.0000  553.829   24.198  ?   ?   449.557   9.9612      ?      ? 
1 1 1    9   24   32 o   53.906   14.638   2.5198   6.8953   13.162   9.7755  -8.0186   9.7276   68.118   22.684   39.694   18.507 28.42310 29.27617 
1 1 1    9   24   34 f  252.305   9.5165  174.872   12.974   0.0000   0.0000  174.872   12.974  ?   ?   252.305   9.5165      ?      ? 
1 1 1    9   24   35 o  128.122   10.243   46.085   7.0859   48.175   10.257   44.176   9.8009  130.891   14.501  125.352   14.469 5.539169 20.48527 
1 1 1    9   24   36 o  151.661   11.806   64.003   9.6752   0.0000   0.0000   64.003   9.6752  ?   ?   151.661   11.806      ?      ? 
1 1 1    9   24   37 o   59.116   15.341   9.1748   6.4396   7.3836   9.8639   10.505   8.5012   57.192   22.235   61.039   21.140 -3.846130 30.68113 
1 1 1    9   24   38 o  235.669   7.0396  154.806   8.8538  144.221   13.330  163.160   11.843  227.912   10.824  243.425   9.0038 -15.51318 14.07929 
1 1 1    9   24   39 f  101.329   16.182   29.612   8.8604   0.0000   0.0000   29.612   8.8604  ?   ?   101.329   16.182      ?      ? 
1 1 1    9   24   40 f  142.417   9.5620   58.001   7.2803   53.674   10.838   61.559   9.8281  136.948   14.645  147.887   12.298 -10.93927 19.12401 
1 1 1    9   24   41 f   50.789   14.659   4.6137   6.3840   2.5727   9.7153   6.1647   8.4691   49.280   20.932   52.298   20.527 -3.018204 29.31768 
1 1 1    9   24   42 o  153.936   8.6977   66.571   7.1871   69.732   10.899   64.139   9.5600  156.846   12.860  151.027   11.714 5.819122 17.39545 
1 1 1    9   24   43 o   80.840   15.803   24.523   7.9489   2.2435   18.080   29.861   8.8502   60.807   27.116  100.874   16.236 -40.06716 31.60559 
1 1 1    9   24   44 o   59.986   15.204   10.087   6.9088   1.2266   10.775   16.273   9.0032   49.025   21.433   70.946   21.570 -21.92102 30.40801 
1 1 1    9   24   45 o  171.974   9.3855   85.130   8.7037   81.355   11.852   89.550   12.823  168.030   13.053  175.917   13.489 -7.887634 18.77104 
1 1 1    9   24   46 o  172.238   10.891   84.425   10.137   0.0000   0.0000   84.425   10.137  ?   ?   172.238   10.891      ?      ? 
1 1 1    9   24   47 o   94.453   14.164   28.293   6.9339   32.315   10.792   25.465   9.0487   99.705   20.708   89.201   19.331 10.50437 28.32839 
1 1 1    9   24   48 o  125.407   11.323   48.435   7.4038   38.098   11.012   56.962   10.002  110.856   18.383  139.958   13.225 -29.10180 22.64598 
1 1 1    9   24   49 o   64.425   15.695   15.427   6.5671   15.974   10.229   15.043   8.5651   64.690   23.124   64.160   21.227 0.5301819 31.38957 
1 1 1    9   24   50 o  126.741   10.641   48.316   7.2149   54.689   11.209   43.806   9.4278  133.253   15.566  120.230   14.511 13.02243 21.28123 
1 1 1    9   24   51 o   42.647   13.596  -0.5908   6.6625   5.3457   10.098  -5.1678   8.8663   48.807   21.046   36.488   17.219 12.31849 27.19265 
1 1 1    9   25    0 o  566.534   9.5168  868.475   27.343  890.541   48.040  857.901   33.255  571.062   15.568  562.006   10.950 9.055298 19.03355 
1 1 1    9   25    1 o  354.603   7.7116  335.910   14.045  359.459   24.293  324.085   17.214  363.518   12.367  345.687   9.2155 17.83102 15.42320 
1 1 1    9   25    2 o  372.305   8.9927  375.860   18.092   0.0000   0.0000  375.860   18.092  ?   ?   372.305   8.9927      ?      ? 
1 1 1    9   25    3 o   60.534   19.924   9.6663   7.5493   0.0000   0.0000   9.6663   7.5493  ?   ?    60.534   19.924      ?      ? 
1 1 1    9   25    4 o  194.809   16.742  103.854   17.624   0.0000   0.0000  103.854   17.624  ?   ?   194.809   16.742      ?      ? 
1 1 1    9   25    5 o  325.966   10.346  288.513   18.223   0.0000   0.0000  288.513   18.223  ?   ?   325.966   10.346      ?      ? 
1 1 1    9   25    6 o  161.034   12.910   70.619   11.234   0.0000   0.0000   70.619   11.234  ?   ?   161.034   12.910      ?      ? 
1 1 1    9   25    7 o  306.928   8.0175  255.326   13.297   0.0000   0.0000  255.326   13.297  ?   ?   306.928   8.0175      ?      ? 
1 1 1    9   25    8 o  189.480   8.4939   97.355   8.6967   0.0000   0.0000   97.355   8.6967  ?   ?   189.480   8.4939      ?      ? 
1 1 1    9   25    9 o  140.272   10.840   53.491   8.2166   0.0000   0.0000   53.491   8.2166  ?   ?   140.272   10.840      ?      ? 
1 1 1    9   25   10 o   68.032   19.463   13.079   7.5163   0.0000   0.0000   13.079   7.5163  ?   ?    68.032   19.463      ?      ? 
1 1 1    9   25   11 f  360.792   7.0597  352.723   13.763   0.0000   0.0000  352.723   13.763  ?   ?   360.792   7.0597      ?      ? 
1 1 1    9   25   12 o  213.987   8.4022  124.256   9.7156   0.0000   0.0000  124.256   9.7156  ?   ?   213.987   8.4022      ?      ? 
1 1 1    9   25   13 o  241.661   9.6974  158.732   12.663   0.0000   0.0000  158.732   12.663  ?   ?   241.661   9.6974      ?      ? 
1 1 1    9   25   14 o  173.065   8.7608   81.322   8.1930   0.0000   0.0000   81.322   8.1930  ?   ?   173.065   8.7608      ?      ? 
1 1 1    9   25   15 o  421.513   9.2492  482.685   21.067   0.0000   0.0000  482.685   21.067  ?   ?   421.513   9.2492      ?      ? 
1 1 1    9   25   16 o  277.224   7.6292  208.447   11.429   0.0000   0.0000  208.447   11.429  ?   ?   277.224   7.6292      ?      ? 
1 1 1    9   25   17 o  265.062   12.981  192.078   18.593   0.0000   0.0000  192.078   18.593  ?   ?   265.062   12.981      ?      ? 
1 1 1    9   25   18 o  243.809   7.2842  161.251   9.5966   0.0000   0.0000  161.251   9.5966  ?   ?   243.809   7.2842      ?      ? 
1 1 1    9   25   19 o  255.089   7.0830  176.534   9.7633   0.0000   0.0000  176.534   9.7633  ?   ?   255.089   7.0830      ?      ? 
1 1 1    9   25   20 o  222.647   7.7406  135.761   8.7462  134.144   15.200  136.561   10.694  221.245   12.714  224.048   8.8329 -2.802658 15.48122 
1 1 1    9   25   21 o  164.659   9.3588   78.101   7.0902   67.297   13.917   81.887   8.2396  155.850   16.525  173.468   8.7902 -17.61783 18.71768 
1 1 1    9   25   22 o  139.518   11.002   53.663   8.2314   55.090   12.500   52.570   10.938  140.972   16.409  138.063   14.661 2.908859 22.00441 
1 1 1    9   25   23 o  181.430   8.9206   89.830   8.7200   98.741   12.908   82.351   11.826  189.663   12.595  173.198   12.636 16.46419 17.84128 
1 1 1    9   25   24 o  220.842   7.6535  133.288   9.1272  136.549   13.203  130.303   12.631  223.398   10.937  218.285   10.709 5.112350 15.30697 
1 1 1    9   25   25 o  109.347   13.297   34.505   7.5276   43.320   10.730   25.960   10.563  124.814   15.909   93.880   21.310 30.93392 26.59390 
1 1 1    9   25   26 o  176.458   8.6977   84.912   8.2515   94.981   12.441   77.004   11.025  185.678   12.400  167.238   12.200 18.44069 17.39549 
1 1 1    9   25   27 o   86.795   14.173   21.675   7.0594   10.261   9.7381   34.317   10.248   63.079   22.560  110.511   17.162 -47.43224 28.34594 
1 1 1    9   25   28 o  218.153   7.5992  130.758   8.9427  121.289   12.580  140.431   12.715  210.053   11.083  226.253   10.400 -16.20079 15.19847 
1 1 1    9   25   29 o   74.677   13.247   14.614   6.9597   30.499   9.6058  -2.9400   10.098  103.996   17.093   45.357   20.243 58.63913 26.49460 
1 1 1    9   25   30 f  169.111   8.4732   79.180   7.6969   68.579   10.757   90.299   11.017  157.274   12.658  180.949   11.268 -23.67416 16.94648 
1 1 1    9   25   31 o  130.971   10.648   48.692   7.3695   60.757   10.519   37.061   10.328  147.666   13.182  114.276   16.725 33.38963 21.29569 
1 1 1    9   25   32 o  169.443   12.063   79.689   11.045   0.0000   0.0000   79.689   11.045  ?   ?   169.443   12.063      ?      ? 
1 1 1    9   25   33 o  174.780   8.4679   85.007   7.9802   78.547   11.264   91.517   11.307  167.923   12.414  181.637   11.521 -13.71301 16.93577 
1 1 1    9   25   34 o   51.769   15.059   3.0656   6.9201   7.8234   10.163  -1.0470   9.4488   58.343   22.601   45.195   19.907 13.14750 30.11795 
1 1 1    9   25   35 o  205.783   7.6462  117.175   8.4764  105.043   11.722  130.470   12.271  194.472   11.155  217.093   10.460 -22.62050 15.29238 
1 1 1    9   25   36 o   84.776   15.062   22.225   6.9317   25.995   9.9966   18.733   9.6200   91.976   20.623   77.577   21.958 14.39937 30.12399 
1 1 1    9   25   37 o  294.345   9.1383  239.178   14.535   0.0000   0.0000  239.178   14.535  ?   ?   294.345   9.1383      ?      ? 
1 1 1    9   25   38 o   53.541   15.035   5.8123   6.5239   8.5429   9.6364   3.5017   8.8644   57.965   22.122   49.118   20.367 8.846981 30.07041 
1 1 1    9   25   39 o  173.730   11.080   84.523   10.401   0.0000   0.0000   84.523   10.401  ?   ?   173.730   11.080      ?      ? 
1 1 1    9   25   40 o   55.123   15.220   6.7357   6.7745   2.2464   9.8865   10.709   9.3015   49.196   21.011   61.050   22.025 -11.85429 30.43942 
1 1 1    9   25   41 o  111.355   12.651   38.327   7.1496   27.886   10.337   47.902   9.8991   93.717   20.940  128.992   14.202 -35.27554 25.30165 
1 1 1    9   25   42 o   51.228   14.753   3.7584   6.7262   10.269   9.8249  -1.9850   9.2276   59.920   22.457   42.537   19.139 17.38256 29.50672 
1 1 1    9   25   43 o   74.503   15.022   18.589   7.1172   7.5459   10.727   27.274   9.5127   56.313   22.765   92.693   19.604 -36.38011 30.04304 
1 1 1    9   25   44 o   68.646   17.075   17.263   8.6701  -2.1716   19.504   22.050   9.6791   56.665   26.348   80.626   21.726 -23.96120 34.15026 
1 1 1    9   25   45 o   39.268   13.136 -11.4470   7.5315 -20.4468   10.253  -0.8984   11.100   31.835   15.781   46.702   21.004 -14.86698 26.27241 
1 1 1    9   25   46 o   50.253   15.171   2.3946   7.6175   8.5244   10.555  -4.2680   11.004   56.949   22.736   43.556   20.091 13.39328 30.34102 
1 1 1    9   25   47 o   43.769   13.295  -1.6568   6.6218 -15.3854   9.8489   9.6684   8.9454   32.542   16.006   54.995   21.232 -22.45362 26.58928 
1 1 1    9   25   48 o   42.165   13.629  -1.6958   6.9558   1.0171   10.114  -4.1303   9.5812   45.002   20.159   39.328   18.347 5.673527 27.25816 
1 1 1    9   25   49 o   84.206   18.142   29.816   9.2692   32.771   11.554   24.482   15.526   94.239   22.912   74.173   28.135 20.06557 36.28405 
1 1 1    9   25   50 o  159.760   13.748   88.845   11.653   93.243   15.556   83.221   17.592  168.269   17.108  151.250   21.524 17.01859 27.49516 
1 1 1    9   26    0 o  250.889   7.4519  168.331   9.2619  178.536   17.127  164.114   11.011  255.843   12.389  245.935   8.2853 9.908249 14.90387 
1 1 1    9   26    1 o  195.844   7.8283  103.888   7.8783  106.149   13.467  102.711   9.7139  197.231   12.636  194.458   9.2445 2.773422 15.65661 
1 1 1    9   26    2 o  147.632   10.479   59.293   8.3597   0.0000   0.0000   59.293   8.3597  ?   ?   147.632   10.479      ?      ? 
1 1 1    9   26    3 o  440.763   11.615  529.375   27.664   0.0000   0.0000  529.375   27.664  ?   ?   440.763   11.615      ?      ? 
1 1 1    9   26    5 o   38.569   18.280 -11.8980   10.195   0.0000   0.0000 -11.8980   10.195  ?   ?    38.569   18.280      ?      ? 
1 1 1    9   26    6 o  360.882   8.9741  353.692   17.500   0.0000   0.0000  353.692   17.500  ?   ?   360.882   8.9741      ?      ? 
1 1 1    9   26    7 o  112.436   13.058   34.529   7.9336   0.0000   0.0000   34.529   7.9336  ?   ?   112.436   13.058      ?      ? 
1 1 1    9   26    8 o  309.300   7.1389  259.321   11.932   0.0000   0.0000  259.321   11.932  ?   ?   309.300   7.1389      ?      ? 
1 1 1    9   26    9 o  190.416   8.5855   98.435   8.8340   0.0000   0.0000   98.435   8.8340  ?   ?   190.416   8.5855      ?      ? 
1 1 1    9   26   10 o   56.150   19.497   7.9199   7.2330   0.0000   0.0000   7.9199   7.2330  ?   ?    56.150   19.497      ?      ? 
1 1 1    9   26   11 o  130.740   11.254   46.590   7.9505   0.0000   0.0000   46.590   7.9505  ?   ?   130.740   11.254      ?      ? 
1 1 1    9   26   12 o  289.909   12.143  229.537   19.023   0.0000   0.0000  229.537   19.023  ?   ?   289.909   12.143      ?      ? 
1 1 1    9   26   13 o  333.667   8.7396  302.583   15.758   0.0000   0.0000  302.583   15.758  ?   ?   333.667   8.7396      ?      ? 
1 1 1    9   26   14 o  196.910   15.626  106.860   16.626   0.0000   0.0000  106.860   16.626  ?   ?   196.910   15.626      ?      ? 
1 1 1    9   26   15 o  118.674   12.407   38.561   7.9561   0.0000   0.0000   38.561   7.9561  ?   ?   118.674   12.407      ?      ? 
1 1 1    9   26   16 o  251.356   9.6909  172.165   13.163   0.0000   0.0000  172.165   13.163  ?   ?   251.356   9.6909      ?      ? 
1 1 1    9   26   17 o  183.553   8.3591   91.629   8.2910   0.0000   0.0000   91.629   8.2910  ?   ?   183.553   8.3591      ?      ? 
1 1 1    9   26   18 o  147.405   9.5463   59.225   7.6039   0.0000   0.0000   59.225   7.6039  ?   ?   147.405   9.5463      ?      ? 
1 1 1    9   26   19 o  287.610   6.9553  224.581   10.810   0.0000   0.0000  224.581   10.810  ?   ?   287.610   6.9553      ?      ? 
1 1 1    9   26   20 o  318.594   7.5035  275.505   12.155  283.333   21.255  271.701   14.817  321.318   12.241  315.870   8.6810 5.448273 15.00705 
1 1 1    9   26   21 f  227.678   7.6595  137.569   8.2416  150.946   16.569  133.171   9.5003  234.126   13.096  221.231   7.9470 12.89511 15.31902 
1 1 1    9   26   22 o  103.705   13.422   36.602   6.2601   19.646   11.691   43.418   7.4124   81.555   24.531  125.854   10.899 -44.29936 26.84350 
1 1 1    9   26   23 o  294.795   12.505  239.640   19.920  239.640   19.920   0.0000   0.0000  294.795   12.505  ?   ?       ?      ? 
1 1 1    9   26   24 o  125.788   12.111   46.010   7.7839   35.436   11.326   55.476   10.716  110.184   19.747  141.392   14.025 -31.20803 24.22126 
1 1 1    9   26   25 f  199.925   11.634  110.086   12.569   0.0000   0.0000  110.086   12.569  ?   ?   199.925   11.634      ?      ? 
1 1 1    9   26   26 o  111.961   12.016   35.388   7.2508   36.157   9.9763   34.528   10.557  113.445   16.274  110.477   17.683 2.967674 24.03209 
1 1 1    9   26   27 o   62.682   16.124   9.5229   7.2023   5.6169   9.8474   14.016   10.561   55.312   21.999   70.052   23.579 -14.74002 32.24823 
1 1 1    9   26   28 o  156.812   9.3381   68.423   7.9032   73.258   11.373   63.908   10.990  162.245   12.973  151.378   13.435 10.86703 18.67612 
1 1 1    9   26   29 o   51.276   15.144   2.4577   7.0672  -0.3568   9.7988   5.5089   10.203   47.100   20.520   55.453   22.278 -8.353909 30.28765 
1 1 1    9   26   30 f  227.276   7.5077  142.647   9.1711  124.050   12.766  162.479   13.183  211.710   11.159  242.842   10.047 -31.13171 15.01540 
1 1 1    9   26   31 o  127.574   15.473   46.228   10.666   0.0000   0.0000   46.228   10.666  ?   ?   127.574   15.473      ?      ? 
1 1 1    9   26   32 o  123.118   11.237   43.434   7.4159   49.521   10.499   37.373   10.476  132.241   14.692  113.996   17.007 18.24469 22.47485 
1 1 1    9   26   33 o  160.673   9.1158   72.431   7.8330   86.315   11.321   59.679   10.849  175.884   11.912  145.463   13.802 30.42159 18.23163 
1 1 1    9   26   34 o   77.573   15.806   18.921   7.1686   13.935   10.353   23.515   9.9360   68.215   23.344   86.930   21.315 -18.71461 31.61135 
1 1 1    9   26   35 o  246.104   9.7849  167.816   13.013   0.0000   0.0000  167.816   13.013  ?   ?   246.104   9.7849      ?      ? 
1 1 1    9   26   36 o  130.343   10.564   48.835   7.3633   57.892   10.616   40.438   10.222  142.580   13.779  118.106   16.016 24.47320 21.12769 
1 1 1    9   26   37 o  154.601   9.3613   68.416   7.7587   61.024   11.211   75.210   10.748  145.942   14.216  163.260   12.184 -17.31773 18.72263 
1 1 1    9   26   38 o  190.496   8.1338  101.362   8.3427  108.458   12.459   95.595   11.233  196.354   11.743  184.639   11.258 11.71506 16.26765 
1 1 1    9   26   39 o   50.683   14.963   3.9480   6.8404   5.2914   9.8437   2.6935   9.5123   52.683   21.615   48.684   20.697 3.998524 29.92604 
1 1 1    9   26   40 o  165.561   8.9614   78.953   7.9286   68.593   11.478   88.409   10.965  154.277   13.768  176.845   11.475 -22.56790 17.92274 
1 1 1    9   26   41 o  156.976   12.790   70.739   10.849   0.0000   0.0000   70.739   10.849  ?   ?   156.976   12.790      ?      ? 
1 1 1    9   26   42 o  136.779   10.477   55.083   7.7091   62.483   11.467   48.979   10.414  145.266   14.608  128.292   15.022 16.97432 20.95331 
1 1 1    9   26   43 o   38.054   12.779  -9.4844   7.1001  -4.7955   10.496 -13.4402   9.6406   42.071   19.481   34.037   16.544 8.033920 25.55840 
1 1 1    9   26   44 o  136.186   14.125   33.365   9.1791  145.721   20.879   6.4468   10.220  218.610   17.675   53.761   22.037 164.8486 28.24928 
1 1 1    9   26   45 o   65.004   19.796   14.652   12.572   14.331   18.892   14.908   16.843   65.025   28.406   64.983   27.580 0.4213715E-01 39.59223 
1 1 1    9   26   46 o   94.782   24.642   34.820   12.738   34.820   12.738   0.0000   0.0000   94.782   24.642  ?   ?       ?      ? 
1 1 1    9   26   47 o   64.947   18.037   15.853   10.007   21.748   12.393   4.8086   16.964   73.928   25.530   55.965   25.486 17.96340 36.07365 
1 1 1    9   26   48 o   60.762   18.127   14.528   10.060   11.802   13.159   18.363   15.604   57.320   24.355   64.203   26.856 -6.882301 36.25449 
1 1 1    9   27    0 o  108.692   20.211   33.861   11.434   0.0000   0.0000   33.861   11.434  ?   ?   108.692   20.211      ?      ? 
1 1 1    9   27    2 o  248.599   10.537  168.394   14.154   0.0000   0.0000  168.394   14.154  ?   ?   248.599   10.537      ?      ? 
1 1 1    9   27    3 f  130.748   16.806   47.200   11.874   0.0000   0.0000   47.200   11.874  ?   ?   130.748   16.806      ?      ? 
1 1 1    9   27    4 f  259.028   11.093  183.044   15.527   0.0000   0.0000  183.044   15.527  ?   ?   259.028   11.093      ?      ? 
1 1 1    9   27    5 o  396.439   11.967  429.548   25.636   0.0000   0.0000  429.548   25.636  ?   ?   396.439   11.967      ?      ? 
1 1 1    9   27    6 o  190.940   8.8628   99.146   9.1444   0.0000   0.0000   99.146   9.1444  ?   ?   190.940   8.8628      ?      ? 
1 1 1    9   27    7 o   85.952   17.406   21.169   7.8071   0.0000   0.0000   21.169   7.8071  ?   ?    85.952   17.406      ?      ? 
1 1 1    9   27    8 o  327.198   7.1589  290.558   12.657   0.0000   0.0000  290.558   12.657  ?   ?   327.198   7.1589      ?      ? 
1 1 1    9   27    9 o   53.807   19.521   6.8260   7.3218   0.0000   0.0000   6.8260   7.3218  ?   ?    53.807   19.521      ?      ? 
1 1 1    9   27   10 o  134.342   11.213   49.330   8.1400   0.0000   0.0000   49.330   8.1400  ?   ?   134.342   11.213      ?      ? 
1 1 1    9   27   11 o   79.764   18.251   18.400   7.6961   0.0000   0.0000   18.400   7.6961  ?   ?    79.764   18.251      ?      ? 
1 1 1    9   27   12 f  112.181   12.755   34.535   7.7320   0.0000   0.0000   34.535   7.7320  ?   ?   112.181   12.755      ?      ? 
1 1 1    9   27   13 o  306.380   8.6526  255.489   14.325   0.0000   0.0000  255.489   14.325  ?   ?   306.380   8.6526      ?      ? 
1 1 1    9   27   14 o   88.791   16.025   22.473   7.4060   0.0000   0.0000   22.473   7.4060  ?   ?    88.791   16.025      ?      ? 
1 1 1    9   27   15 o  166.712   9.1308   75.745   8.2256   0.0000   0.0000   75.745   8.2256  ?   ?   166.712   9.1308      ?      ? 
1 1 1    9   27   16 f   41.331   17.903  -0.6109   7.3732   0.0000   0.0000  -0.6109   7.3732  ?   ?    41.331   17.903      ?      ? 
1 1 1    9   27   17 o  113.676   12.295   35.530   7.5522   0.0000   0.0000   35.530   7.5522  ?   ?   113.676   12.295      ?      ? 
1 1 1    9   27   18 o  151.669   9.6855   62.884   7.9379   0.0000   0.0000   62.884   7.9379  ?   ?   151.669   9.6855      ?      ? 
1 1 1    9   27   19 o   77.347   17.008   17.388   6.9150   0.0000   0.0000   17.388   6.9150  ?   ?    77.347   17.008      ?      ? 
1 1 1    9   27   20 o  118.521   15.924   39.275   10.198   0.0000   0.0000   39.275   10.198  ?   ?   118.521   15.924      ?      ? 
1 1 1    9   27   21 o   38.869   13.003 -13.9620   7.4284  -4.2613   10.759 -22.7992   10.269   45.707   20.607   32.030   15.863 13.67645 26.00532 
1 1 1    9   27   22 o   43.890   13.675  -1.2613   5.6626   0.1776   10.826  -1.8032   6.6439   50.399   21.763   37.380   16.566 13.01896 27.35065 
1 1 1    9   27   23 o   53.310   14.756   5.7925   5.9625   0.9554   11.379   7.6232   7.0005   52.312   22.447   54.308   19.159 -1.995728 29.51179 
1 1 1    9   27   24 o  162.612   10.207   72.824   8.8590   81.216   13.896   67.076   11.499  170.115   15.116  155.110   13.719 15.00568 20.41390 
1 1 1    9   27   25 o  242.394   7.3754  161.394   9.6455  152.337   13.214  171.726   14.113  235.150   10.399  249.638   10.462 -14.48747 14.75076 
1 1 1    9   27   26 o  116.437   12.282   38.620   7.7142   37.391   10.545   40.035   11.315  114.568   17.033  118.307   17.699 -3.739235 24.56366 
1 1 1    9   27   27 f  125.353   12.633   47.264   7.8121   64.692   11.004   29.553   11.093  152.075   13.390   98.632   21.426 53.44350 25.26601 
1 1 1    9   27   28 o   73.936   16.024   16.598   7.0331   14.421   9.7251   18.985   10.183   69.471   22.601   78.401   22.720 -8.930679 32.04745 
1 1 1    9   27   29 o   76.734   16.224   18.144   7.2181   17.353   9.7136   19.119   10.786   75.083   22.310   78.385   23.560 -3.302155 32.44728 
1 1 1    9   27   30 o  134.339   10.767   51.287   7.8070   50.298   10.744   52.393   11.364  133.096   14.938  135.583   15.511 -2.487106 21.53471 
1 1 1    9   27   31 o  162.673   13.064   74.481   11.484   0.0000   0.0000   74.481   11.484  ?   ?   162.673   13.064      ?      ? 
1 1 1    9   27   32 o  220.374   10.367  134.899   12.345   0.0000   0.0000  134.899   12.345  ?   ?   220.374   10.367      ?      ? 
1 1 1    9   27   33 o  100.113   13.949   30.736   7.2768   28.974   10.213   32.552   10.371   96.871   20.166  103.354   19.279 -6.482315 27.89880 
1 1 1    9   27   34 o   72.282   16.331   16.631   7.2469   14.610   10.568   18.424   9.9565   68.689   23.583   75.875   22.597 -7.185165 32.66184 
1 1 1    9   27   35 o   77.959   15.865   19.490   7.1272   16.023   10.078   22.960   10.081   71.133   22.997   84.786   21.862 -13.65275 31.73050 
1 1 1    9   27   36 o   48.284   14.503   1.3047   6.8497   6.6117   9.6445  -4.0966   9.7299   54.599   21.754   41.969   19.186 12.62999 29.00541 
1 1 1    9   27   37 o  119.921   11.498   42.427   7.4383   40.566   10.635   44.210   10.408  116.992   16.822  122.849   15.678 -5.856575 22.99539 
1 1 1    9   27   38 o  151.799   13.754   66.412   11.282   0.0000   0.0000   66.412   11.282  ?   ?   151.799   13.754      ?      ? 
1 1 1    9   27   39 o   95.312   17.775   29.187   8.7466   24.118   10.475   40.856   15.895   84.654   22.510  105.969   27.514 -21.31557 35.54927 
1 1 1    9   27   40 o   60.659   17.142   10.810   8.5167   13.304   10.314   5.4662   15.099   63.687   23.159   57.632   25.280 6.054962 34.28423 
1 1 1    9   27   41 o   72.500   18.669   18.598   9.7947   22.500   12.432   12.212   15.904   79.407   25.529   65.593   27.247 13.81431 37.33774 
1 1 1    9   27   42 o   46.176   15.366  -9.8449   9.6651 -16.6892   12.556   0.1087   15.141   38.567   18.777   53.784   24.329 -15.21724 30.73212 
1 1 1    9   27   43 o   50.244   15.949   1.1653   9.4333   7.9144   12.155  -9.0563   14.959   55.242   23.437   45.245   21.639 9.996803 31.89856 
1 1 1    9   27   44 o   51.982   16.568   4.2450   9.5624   4.4144   11.936   3.9414   15.978   50.318   22.257   53.646   24.547 -3.328594 33.13507 
1 1 1    9   27   45 o   52.681   24.063   2.2160   15.266   0.0000   0.0000   2.2160   15.266  ?   ?    52.681   24.063      ?      ? 
1 1 1    9   27   46 o   35.547   12.431 -20.6935   9.0797  -9.1374   11.909 -36.7342   14.031   39.111   18.860   31.982   16.199 7.129206 24.86157 
1 1 1    9   28    0 o   89.160   16.151   22.655   7.4949   0.0000   0.0000   22.655   7.4949  ?   ?    89.160   16.151      ?      ? 
1 1 1    9   28    1 o  120.621   13.074   39.969   8.5216   0.0000   0.0000   39.969   8.5216  ?   ?   120.621   13.074      ?      ? 
1 1 1    9   28    2 o  323.069   10.463  285.045   18.265   0.0000   0.0000  285.045   18.265  ?   ?   323.069   10.463      ?      ? 
1 1 1    9   28    3 o  327.991   10.107  293.603   17.912   0.0000   0.0000  293.603   17.912  ?   ?   327.991   10.107      ?      ? 
1 1 1    9   28    5 o  248.913   11.123  169.493   14.961   0.0000   0.0000  169.493   14.961  ?   ?   248.913   11.123      ?      ? 
1 1 1    9   28    6 o  147.150   15.869   60.011   12.618   0.0000   0.0000   60.011   12.618  ?   ?   147.150   15.869      ?      ? 
1 1 1    9   28    7 o   84.139   23.461   20.846   11.068   0.0000   0.0000   20.846   11.068  ?   ?    84.139   23.461      ?      ? 
1 1 1    9   28    9 o  152.490   15.486   64.475   12.760   0.0000   0.0000   64.475   12.760  ?   ?   152.490   15.486      ?      ? 
1 1 1    9   28   10 o  205.609   12.344  116.195   13.715   0.0000   0.0000  116.195   13.715  ?   ?   205.609   12.344      ?      ? 
1 1 1    9   28   12 o  285.127   9.1996  221.973   14.174   0.0000   0.0000  221.973   14.174  ?   ?   285.127   9.1996      ?      ? 
1 1 1    9   28   13 o  187.079   9.5532   95.684   9.6574   0.0000   0.0000   95.684   9.6574  ?   ?   187.079   9.5532      ?      ? 
1 1 1    9   28   14 o  125.210   11.941   43.170   8.0795   0.0000   0.0000   43.170   8.0795  ?   ?   125.210   11.941      ?      ? 
1 1 1    9   28   15 o  196.637   9.2058  105.689   9.7817   0.0000   0.0000  105.689   9.7817  ?   ?   196.637   9.2058      ?      ? 
1 1 1    9   28   16 o   99.556   14.213   27.543   7.6462   0.0000   0.0000   27.543   7.6462  ?   ?    99.556   14.213      ?      ? 
1 1 1    9   28   17 o  223.303   7.8799  135.941   9.5083   0.0000   0.0000  135.941   9.5083  ?   ?   223.303   7.8799      ?      ? 
1 1 1    9   28   18 o  125.883   12.362   43.802   8.4089   0.0000   0.0000   43.802   8.4089  ?   ?   125.883   12.362      ?      ? 
1 1 1    9   28   19 o  140.378   10.330   54.148   7.8361   0.0000   0.0000   54.148   7.8361  ?   ?   140.378   10.330      ?      ? 
1 1 1    9   28   20 o   52.229   18.994   6.7311   6.9378   0.0000   0.0000   6.7311   6.9378  ?   ?    52.229   18.994      ?      ? 
1 1 1    9   28   21 o  110.876   12.010   34.083   7.1959   0.0000   0.0000   34.083   7.1959  ?   ?   110.876   12.010      ?      ? 
1 1 1    9   28   22 o  172.667   8.4035   82.935   7.0918   82.005   13.152   83.317   8.4208  171.022   14.232  174.313   8.9399 -3.291260 16.80695 
1 1 1    9   28   23 o   87.660   14.068   19.109   6.0198   34.910   11.867   13.635   6.9853  107.634   21.158   67.685   18.548 39.94915 28.13698 
1 1 1    9   28   24 o   66.259   15.674   10.588   6.1751   19.495   11.632   7.0932   7.2866   79.371   24.588   53.148   19.445 26.22373 31.34731 
1 1 1    9   28   25 o  172.641   9.8717   84.137   9.0874   82.815   13.951   85.111   11.977  170.854   15.111  174.428   12.707 -3.573532 19.74349 
1 1 1    9   28   26 o   58.838   16.025   7.2794   7.4568   2.0225   10.425   12.786   10.670   50.807   21.635   66.869   23.647 -16.06242 32.05050 
1 1 1    9   28   27 o  122.925   11.959   43.505   7.9415   43.060   11.082   43.974   11.386  122.346   16.763  123.503   17.061 -1.157249 23.91800 
1 1 1    9   28   28 o   60.765   16.202   8.8989   7.5715   14.094   10.456   3.1729   10.978   68.607   23.460   52.924   22.353 15.68238 32.40445 
1 1 1    9   28   29 o  227.117   11.245  143.972   13.800   0.0000   0.0000  143.972   13.800  ?   ?   227.117   11.245      ?      ? 
1 1 1    9   28   30 o   48.483   15.180  -1.1395   8.0066   3.4858   9.9273  -9.7477   13.543   51.080   21.398   45.887   21.538 5.192295 30.36007 
1 1 1    9   28   31 o   66.614   17.431   11.840   8.0339   8.5530   9.9438   18.018   13.633   58.142   22.403   75.087   26.711 -16.94524 34.86180 
1 1 1    9   28   32 o   51.442   15.445  -7.9587   8.2277 -21.1713   10.318   15.115   13.635   32.190   15.935   70.693   26.463 -38.50320 30.89076 
1 1 1    9   28   33 o   99.325   16.525   34.013   9.3478   45.090   12.209   18.318   14.532  123.122   18.351   75.529   27.486 47.59327 33.04910 
1 1 1    9   28   34 o  116.682   15.731   42.611   9.3826   40.766   11.781   45.811   15.515  116.285   18.748  117.078   25.265 -0.7922363 31.46185 
1 1 1    9   28   35 o   47.831   15.503  -8.4825   9.2136 -18.3131   12.049   5.3581   14.297   37.161   18.158   58.501   25.133 -21.33956 31.00637 
1 1 1    9   28   36 o   44.550   14.822  -9.3526   8.5078 -13.5969   10.460  -1.0574   14.624   36.158   17.494   52.942   23.932 -16.78419 29.64450 
1 1 1    9   28   37 o   58.966   17.511   8.1494   9.5289   11.205   12.081   3.1194   15.501   61.603   24.409   56.328   25.114 5.274822 35.02200 
1 1 1    9   28   38 o   65.058   17.967   9.6768   9.1358   1.6905   11.254   25.113   15.645   49.289   21.716   80.828   28.629 -31.53941 35.93328 
1 1 1    9   28   39 o   72.770   19.176   18.315   9.9394   17.685   12.677   19.322   16.014   71.623   25.727   73.918   28.444 -2.294655 38.35291 
1 1 1    9   28   40 o   61.049   18.003   7.3883   10.021  -0.0927   13.097   17.953   15.564   50.509   22.757   71.589   27.904 -21.08056 36.00686 
1 1 1    9   28   41 o   48.918   15.272   0.3539   8.1071   11.977   12.619  -7.8156   10.579   59.432   24.439   38.404   18.320 21.02777 30.54320 
1 1 1    9   28   42 o   69.490   14.871   15.467   7.4555   1.0110   10.297   31.396   10.809   45.193   20.286   93.787   21.750 -48.59350 29.74219 
1 1 1    9   28   43 f   58.925   15.542   9.9354   7.3290   0.8628   10.041   20.281   10.722   44.805   20.078   73.045   23.730 -28.23960 31.08424 
1 1 1    9   28   44 o   69.393   17.642   21.973   9.2307   11.151   18.376   25.625   10.675   58.313   26.544   80.474   23.246 -22.16109 35.28373 
1 1 1    9   29    0 o  341.487   7.1579  317.171   13.208   0.0000   0.0000  317.171   13.208  ?   ?   341.487   7.1579      ?      ? 
1 1 1    9   29    1 o  294.959   10.243  238.283   16.326   0.0000   0.0000  238.283   16.326  ?   ?   294.959   10.243      ?      ? 
1 1 1    9   29    3 o  195.480   8.6821  104.275   9.1710   0.0000   0.0000  104.275   9.1710  ?   ?   195.480   8.6821      ?      ? 
1 1 1    9   29    4 o  142.195   10.851   55.491   8.3377   0.0000   0.0000   55.491   8.3377  ?   ?   142.195   10.851      ?      ? 
1 1 1    9   29    5 o   65.716   19.813   12.466   7.6197   0.0000   0.0000   12.466   7.6197  ?   ?    65.716   19.813      ?      ? 
1 1 1    9   29    6 f  121.134   12.406   40.478   8.1208   0.0000   0.0000   40.478   8.1208  ?   ?   121.134   12.406      ?      ? 
1 1 1    9   29    7 o  140.412   14.491   54.813   10.995   0.0000   0.0000   54.813   10.995  ?   ?   140.412   14.491      ?      ? 
1 1 1    9   29    8 o  254.745   14.231  180.300   19.590   0.0000   0.0000  180.300   19.590  ?   ?   254.745   14.231      ?      ? 
1 1 1    9   29    9 o  163.175   9.8160   72.923   8.6552   0.0000   0.0000   72.923   8.6552  ?   ?   163.175   9.8160      ?      ? 
1 1 1    9   29   10 f   65.732   19.768   12.527   7.5924   0.0000   0.0000   12.527   7.5924  ?   ?    65.732   19.768      ?      ? 
1 1 1    9   29   11 o  123.308   12.633   42.048   8.4173   0.0000   0.0000   42.048   8.4173  ?   ?   123.308   12.633      ?      ? 
1 1 1    9   29   12 o  182.572   19.795   95.409   19.529   0.0000   0.0000   95.409   19.529  ?   ?   182.572   19.795      ?      ? 
1 1 1    9   29   13 o  169.359   14.415   80.028   13.192   0.0000   0.0000   80.028   13.192  ?   ?   169.359   14.415      ?      ? 
1 1 1    9   29   14 o  194.987   13.085  105.625   13.787   0.0000   0.0000  105.625   13.787  ?   ?   194.987   13.085      ?      ? 
1 1 1    9   29   15 o  104.437   22.315   33.001   12.211   0.0000   0.0000   33.001   12.211  ?   ?   104.437   22.315      ?      ? 
1 1 1    9   29   16 o   51.453   22.491  -0.4278   11.859   0.0000   0.0000  -0.4278   11.859  ?   ?    51.453   22.491      ?      ? 
1 1 1    9   29   17 o  187.230   13.724   98.024   13.884   0.0000   0.0000   98.024   13.884  ?   ?   187.230   13.724      ?      ? 
1 1 1    9   29   18 f  143.674   16.628   58.692   12.909   0.0000   0.0000   58.692   12.909  ?   ?   143.674   16.628      ?      ? 
1 1 1    9   29   19 o  185.936   13.288   96.661   13.351   0.0000   0.0000   96.661   13.351  ?   ?   185.936   13.288      ?      ? 
1 1 1    9   29   20 o   72.307   24.922   15.451   11.808   0.0000   0.0000   15.451   11.808  ?   ?    72.307   24.922      ?      ? 
1 1 1    9   29   21 o  124.791   18.746   45.324   12.641   0.0000   0.0000   45.324   12.641  ?   ?   124.791   18.746      ?      ? 
1 1 1    9   29   22 o   55.130   23.177   3.6805   11.714   0.0000   0.0000   3.6805   11.714  ?   ?    55.130   23.177      ?      ? 
1 1 1    9   29   23 o   72.075   16.925   10.316   9.0441  -3.9707   11.853   30.225   13.992   47.465   21.493   96.686   26.151 -49.22076 33.84974 
1 1 1    9   29   24 o   59.523   17.207   6.3696   8.9217   9.8784   12.006   2.0428   13.332   63.280   24.551   55.766   24.115 7.513359 34.41354 
1 1 1    9   29   25 o   68.327   16.862   11.138   9.1273   24.482   12.342  -4.9685   13.559   86.988   24.957   49.665   22.682 37.32293 33.72427 
1 1 1    9   29   26 o  105.273   16.932   36.442   9.7537   45.743   13.144   25.045   14.550  123.909   19.631   86.637   27.593 37.27177 33.86403 
1 1 1    9   29   27 o  138.975   13.418   57.853   9.9294   60.698   13.235   54.189   15.018  144.177   16.988  133.774   20.775 10.40359 26.83664 
1 1 1    9   29   28 o  165.251   11.871   80.752   10.420   86.284   13.897   73.649   15.749  173.164   14.852  157.338   18.524 15.82607 23.74266 
1 1 1    9   29   29 o  136.670   13.497   53.410   9.7375   42.860   12.341   70.811   15.850  119.600   19.096  153.741   19.079 -34.14126 26.99359 
1 1 1    9   29   30 o   48.054   15.334  -2.6578   8.4757   1.0079   10.758  -8.6554   13.761   49.356   21.502   46.751   21.869 2.604973 30.66863 
1 1 1    9   29   31 o   60.097   16.333   2.4518   8.8780 -13.1149   11.910   21.919   13.319   39.915   19.147   80.279   26.466 -40.36384 32.66581 
1 1 1    9   29   32 o   42.827   14.010  -5.6786   7.6482  -8.0315   10.513  -3.0337   11.147   40.108   18.873   45.546   20.710 -5.438160 28.01932 
1 1 1    9   29   33 o  111.328   14.134   38.598   8.2887   43.626   11.947   33.932   11.509  119.994   18.425  102.663   21.438 17.33120 28.26804 
1 1 1    9   29   34 o   48.123   14.549  -0.3975   7.4212   9.5815   10.321 -11.0782   10.678   58.340   22.728   37.906   18.169 20.43449 29.09755 
1 1 1    9   29   35 o   38.809   12.999  -8.0648   7.2527  -7.3407   9.8317  -8.9292   10.743   38.405   18.126   39.213   18.637 -0.8079643 25.99778 
1 1 1    9   29   36 o   55.801   15.953   7.6716   7.4191   6.6609   9.9989   8.9097   11.067   53.678   21.876   57.924   23.226 -4.246864 31.90644 
1 1 1    9   29   37 o  178.034   9.3389   91.414   8.9218  106.549   12.994   77.914   12.272  192.559   12.488  163.510   13.889 29.04939 18.67770 
1 1 1    9   29   38 o   47.160   14.642   1.4701   7.2172  -1.3709   9.9287   4.6532   10.509   43.433   19.669   50.886   21.696 -7.452431 29.28461 
1 1 1    9   29   39 o   58.832   16.225   12.455   7.4385   11.439   10.243   13.587   10.820   57.220   22.538   60.443   23.347 -3.222374 32.45034 
1 1 1    9   29   40 o   89.254   16.101   29.020   7.8573   24.936   11.158   33.038   11.067   81.479   23.831   97.029   21.656 -15.54996 32.20149 
1 1 1    9   29   41 o   67.998   18.840   18.247   11.913  -2.5495   19.171   31.329   15.205   52.353   24.886   83.643   28.292 -31.28988 37.67941 
1 1 1    9   29   42 o   53.148   17.380   5.0717   11.503   5.9932   18.682   4.5090   14.599   54.925   25.622   51.371   23.490 3.554119 34.76004 
1 1 1    9   30    0 o  140.202   14.868   54.973   11.264   0.0000   0.0000   54.973   11.264  ?   ?   140.202   14.868      ?      ? 
1 1 1    9   30    2 o   74.189   18.976   16.309   7.6377   0.0000   0.0000   16.309   7.6377  ?   ?    74.189   18.976      ?      ? 
1 1 1    9   30    3 o  133.463   11.685   49.197   8.4273   0.0000   0.0000   49.197   8.4273  ?   ?   133.463   11.685      ?      ? 
1 1 1    9   30    4 o  200.176   9.2236  109.788   9.9770   0.0000   0.0000  109.788   9.9770  ?   ?   200.176   9.2236      ?      ? 
1 1 1    9   30    5 o  191.803   8.8752  100.717   9.1986   0.0000   0.0000  100.717   9.1986  ?   ?   191.803   8.8752      ?      ? 
1 1 1    9   30    6 f  111.989   13.155   34.897   7.9610   0.0000   0.0000   34.897   7.9610  ?   ?   111.989   13.155      ?      ? 
1 1 1    9   30    7 o  146.065   10.329   58.729   8.1522   0.0000   0.0000   58.729   8.1522  ?   ?   146.065   10.329      ?      ? 
1 1 1    9   30    8 o  113.627   12.737   35.904   7.8204   0.0000   0.0000   35.904   7.8204  ?   ?   113.627   12.737      ?      ? 
1 1 1    9   30    9 o  209.448   8.2770  120.015   9.3678   0.0000   0.0000  120.015   9.3678  ?   ?   209.448   8.2770      ?      ? 
1 1 1    9   30   10 o  165.585   10.167   75.501   9.0974   0.0000   0.0000   75.501   9.0974  ?   ?   165.585   10.167      ?      ? 
1 1 1    9   30   11 o  176.887   9.0719   85.842   8.6712   0.0000   0.0000   85.842   8.6712  ?   ?   176.887   9.0719      ?      ? 
1 1 1    9   30   12 o   44.753   18.498   2.3107   7.2779   0.0000   0.0000   2.3107   7.2779  ?   ?    44.753   18.498      ?      ? 
1 1 1    9   30   13 o  147.022   10.374   59.638   8.2419   0.0000   0.0000   59.638   8.2419  ?   ?   147.022   10.374      ?      ? 
1 1 1    9   30   14 o  248.407   14.477  173.905   19.433   0.0000   0.0000  173.905   19.433  ?   ?   248.407   14.477      ?      ? 
1 1 1    9   30   15 o  238.415   8.0666  155.722   10.392   0.0000   0.0000  155.722   10.392  ?   ?   238.415   8.0666      ?      ? 
1 1 1    9   30   16 o  169.049   12.895   80.046   11.779   0.0000   0.0000   80.046   11.779  ?   ?   169.049   12.895      ?      ? 
1 1 1    9   30   17 o  140.326   10.500   54.510   7.9618   0.0000   0.0000   54.510   7.9618  ?   ?   140.326   10.500      ?      ? 
1 1 1    9   30   18 o   93.543   14.647   24.790   7.4037   0.0000   0.0000   24.790   7.4037  ?   ?    93.543   14.647      ?      ? 
1 1 1    9   30   19 o   38.407   17.118  -1.8792   7.1943   0.0000   0.0000  -1.8792   7.1943  ?   ?    38.407   17.118      ?      ? 
1 1 1    9   30   20 o  119.542   11.643   39.897   7.5209   0.0000   0.0000   39.897   7.5209  ?   ?   119.542   11.643      ?      ? 
1 1 1    9   30   21 o   70.799   18.451   15.253   7.1304   0.0000   0.0000   15.253   7.1304  ?   ?    70.799   18.451      ?      ? 
1 1 1    9   30   22 o   45.209   18.349   3.3393   6.9982   0.0000   0.0000   3.3393   6.9982  ?   ?    45.209   18.349      ?      ? 
1 1 1    9   30   23 o   35.560   16.212  -3.3576   6.8887   0.0000   0.0000  -3.3576   6.8887  ?   ?    35.560   16.212      ?      ? 
1 1 1    9   30   24 o   66.621   14.423   14.868   6.3342   1.4009   12.309   19.718   7.3875   52.623   22.960   80.619   17.463 -27.99566 28.84649 
1 1 1    9   30   25 o  113.688   12.885   37.939   6.6706   40.541   13.275   37.060   7.7155  112.891   22.550  114.485   12.472 -1.594208 25.76904 
1 1 1    9   30   26 o  150.353   9.9127   59.124   7.3410   78.829   14.277   52.042   8.5592  164.630   16.048  136.075   11.640 28.55464 19.82537 
1 1 1    9   30   27 o   80.136   17.222   20.899   8.1030   24.077   12.134   18.342   10.886   85.074   24.844   75.198   23.859 9.876007 34.44467 
1 1 1    9   30   28 o   83.784   14.262   22.485   7.4888   37.088   10.387   6.6790   10.807  111.721   17.206   55.846   22.750 55.87487 28.52353 
1 1 1    9   30   29 o   66.353   16.740   13.835   7.5742   14.414   10.242   13.136   11.252   67.255   23.209   65.451   24.130 1.803429 33.48028 
1 1 1    9   30   30 o   79.016   16.574   20.861   7.8046   15.257   11.033   26.474   11.042   68.675   24.067   89.356   22.795 -20.68110 33.14814 
1 1 1    9   30   31 o   75.604   16.280   18.705   7.4200   12.755   9.8331   26.574   11.308   63.190   22.663   88.019   23.380 -24.82854 32.56060 
1 1 1    9   30   32 o   81.970   16.533   23.436   7.6532   22.892   10.286   24.111   11.454   81.523   22.577   82.417   24.158 -0.8941422 33.06530 
1 1 1    9   30   33 o   61.079   16.453   11.191   7.5226   9.4922   10.239   13.184   11.089   57.986   22.624   64.172   23.896 -6.185349 32.90660 
1 1 1    9   30   34 o  159.660   14.719   74.942   12.699   0.0000   0.0000   74.942   12.699  ?   ?   159.660   14.719      ?      ? 
1 1 1    9   30   35 o   50.004   15.277   2.7534   7.7471   6.8902   10.432  -2.3341   11.568   54.106   22.231   45.901   20.959 8.204517 30.55311 
1 1 1    9   30   36 o   71.746   17.185   20.232   7.9411   19.558   11.363   20.876   11.102   70.468   24.439   73.024   24.168 -2.555923 34.37091 
1 1 1    9   30   37 o   56.336   17.795   4.9229   9.9482   18.541   18.708  -0.4456   11.747   66.800   28.726   45.873   21.011 20.92664 35.59007 
1 1 1    9   30   38 o   79.266   20.686   22.323   12.379   50.315   20.611   6.5270   15.483  102.161   32.873   56.370   25.119 45.79148 41.37144 
1 1 1    9   30   39 o   62.723   18.456   13.355   12.369 -11.9054   19.988   29.032   15.746   47.875   23.392   77.572   28.553 -29.69706 36.91145 
1 1 1    9   31    0 o   72.261   24.664   15.380   11.556   0.0000   0.0000   15.380   11.556  ?   ?    72.261   24.664      ?      ? 
1 1 1    9   31    1 o  166.928   12.637   77.708   11.399   0.0000   0.0000   77.708   11.399  ?   ?   166.928   12.637      ?      ? 
1 1 1    9   31    2 o  165.464   9.6272   75.363   8.6078   0.0000   0.0000   75.363   8.6078  ?   ?   165.464   9.6272      ?      ? 
1 1 1    9   31    3 o   56.640   19.685   8.7515   7.3740   0.0000   0.0000   8.7515   7.3740  ?   ?    56.640   19.685      ?      ? 
1 1 1    9   31    4 o   72.612   19.129   15.876   7.6102   0.0000   0.0000   15.876   7.6102  ?   ?    72.612   19.129      ?      ? 
1 1 1    9   31    5 f   83.843   17.429   20.847   7.6386   0.0000   0.0000   20.847   7.6386  ?   ?    83.843   17.429      ?      ? 
1 1 1    9   31    6 o  217.450   8.0586  129.540   9.4690   0.0000   0.0000  129.540   9.4690  ?   ?   217.450   8.0586      ?      ? 
1 1 1    9   31    7 f   83.714   17.115   20.761   7.4807   0.0000   0.0000   20.761   7.4807  ?   ?    83.714   17.115      ?      ? 
1 1 1    9   31    8 o   75.160   18.731   17.040   7.5801   0.0000   0.0000   17.040   7.5801  ?   ?    75.160   18.731      ?      ? 
1 1 1    9   31    9 o   90.045   16.373   23.804   7.6732   0.0000   0.0000   23.804   7.6732  ?   ?    90.045   16.373      ?      ? 
1 1 1    9   31   10 o   72.558   18.733   15.890   7.3955   0.0000   0.0000   15.890   7.3955  ?   ?    72.558   18.733      ?      ? 
1 1 1    9   31   11 o   88.752   16.120   23.103   7.4463   0.0000   0.0000   23.103   7.4463  ?   ?    88.752   16.120      ?      ? 
1 1 1    9   31   12 o  149.809   10.032   62.034   8.1214   0.0000   0.0000   62.034   8.1214  ?   ?   149.809   10.032      ?      ? 
1 1 1    9   31   13 o   53.227   19.435   7.2851   7.2739   0.0000   0.0000   7.2851   7.2739  ?   ?    53.227   19.435      ?      ? 
1 1 1    9   31   14 o   57.762   19.688   9.4830   7.3640   0.0000   0.0000   9.4830   7.3640  ?   ?    57.762   19.688      ?      ? 
1 1 1    9   31   15 o  109.395   13.258   33.767   7.8370   0.0000   0.0000   33.767   7.8370  ?   ?   109.395   13.258      ?      ? 
1 1 1    9   31   16 o  174.608   9.1976   84.190   8.6781   0.0000   0.0000   84.190   8.6781  ?   ?   174.608   9.1976      ?      ? 
1 1 1    9   31   17 o   35.593   16.328  -4.0217   7.1312   0.0000   0.0000  -4.0217   7.1312  ?   ?    35.593   16.328      ?      ? 
1 1 1    9   31   18 o  160.544   9.5331   71.392   8.2702   0.0000   0.0000   71.392   8.2702  ?   ?   160.544   9.5331      ?      ? 
1 1 1    9   31   19 o   70.306   18.759   15.221   7.2589   0.0000   0.0000   15.221   7.2589  ?   ?    70.306   18.759      ?      ? 
1 1 1    9   31   20 o   54.692   19.536   8.2995   7.3004   0.0000   0.0000   8.2995   7.3004  ?   ?    54.692   19.536      ?      ? 
1 1 1    9   31   21 o   68.814   18.656   14.613   7.1115   0.0000   0.0000   14.613   7.1115  ?   ?    68.814   18.656      ?      ? 
1 1 1    9   31   22 o   78.422   17.182   18.649   7.0797   0.0000   0.0000   18.649   7.0797  ?   ?    78.422   17.182      ?      ? 
1 1 1    9   31   23 o   31.452   15.057  -8.8296   7.2842   0.0000   0.0000  -8.8296   7.2842  ?   ?    31.452   15.057      ?      ? 
1 1 1    9   31   24 o  168.862   8.9723   79.113   8.1870   0.0000   0.0000   79.113   8.1870  ?   ?   168.862   8.9723      ?      ? 
1 1 1    9   31   25 o   88.662   15.116   25.259   6.6323   25.405   12.617   25.203   7.7964   85.980   25.398   91.344   16.398 -5.363564 30.23129 
1 1 1    9   31   26 o   42.604   13.825  -3.3690   6.4227  -1.4736   12.273  -4.0838   7.5372   48.986   22.054   36.222   16.679 12.76451 27.65065 
1 1 1    9   31   27 o   59.204   14.686   10.820   6.3288   1.3457   11.378   15.064   7.6156   49.810   21.894   68.598   19.579 -18.78804 29.37192 
1 1 1    9   31   28 o   71.090   15.855   15.663   7.9960   2.5045   11.270   29.001   11.346   50.164   21.926   92.016   22.908 -41.85276 31.71040 
1 1 1    9   31   29 o   86.630   16.073   26.105   7.9904   35.005   11.260   17.077   11.341  103.150   20.916   70.109   24.410 33.04115 32.14545 
1 1 1    9   31   30 o   42.179   19.790  -7.0474   11.417   0.0000   0.0000  -7.0474   11.417  ?   ?    42.179   19.790      ?      ? 
1 1 1    9   31   31 o  143.463   16.540   61.795   12.822   0.0000   0.0000   61.795   12.822  ?   ?   143.463   16.540      ?      ? 
1 1 1    9   31   32 o   54.125   15.836   4.4038   8.0843   13.715   11.649  -4.2471   11.228   64.597   24.402   43.653   20.191 20.94313 31.67251 
1 1 1    9   31   33 o   50.388   17.127 -11.8607   13.263   8.8221   20.654 -26.3739   17.301   60.216   27.683   40.561   20.173 19.65546 34.25388 
1 1 1    9   31   34 o   70.272   19.693   20.526   13.236  -3.1689   21.109   35.878   16.992   53.547   25.635   86.996   29.901 -33.44897 39.38570 
1 1 1    9   31   35 o   47.008   16.260 -16.5960   13.389 -17.3761   21.554 -16.1059   17.086   49.346   24.149   44.670   21.782 4.676041 32.52101 
1 1 1    9   31   36 o   65.640   19.597   17.177   13.467  -2.8739   21.633   29.865   17.208   53.492   25.699   77.788   29.592 -24.29628 39.19348 
1 1 1    9   31   37 f  114.865   16.284   42.753   9.9684   21.233   11.984   91.081   17.959   70.194   25.035  159.536   20.832 -89.34248 32.56894 
1 1 1    9   32    0 o  125.090   12.381   43.841   8.3689   0.0000   0.0000   43.841   8.3689  ?   ?   125.090   12.381      ?      ? 
1 1 1    9   32    1 o  106.322   14.265   32.048   8.1955   0.0000   0.0000   32.048   8.1955  ?   ?   106.322   14.265      ?      ? 
1 1 1    9   32    2 o   57.116   19.894   9.1007   7.5333   0.0000   0.0000   9.1007   7.5333  ?   ?    57.116   19.894      ?      ? 
1 1 1    9   32    3 o   60.256   20.242   10.525   7.7830   0.0000   0.0000   10.525   7.7830  ?   ?    60.256   20.242      ?      ? 
1 1 1    9   32    4 o   34.809   16.143  -5.2094   7.2480   0.0000   0.0000  -5.2094   7.2480  ?   ?    34.809   16.143      ?      ? 
1 1 1    9   32    5 o   91.098   16.445   24.529   7.7976   0.0000   0.0000   24.529   7.7976  ?   ?    91.098   16.445      ?      ? 
1 1 1    9   32    6 o  105.393   13.635   31.431   7.7655   0.0000   0.0000   31.431   7.7655  ?   ?   105.393   13.635      ?      ? 
1 1 1    9   32    7 o   38.554   17.324  -2.4124   7.5308   0.0000   0.0000  -2.4124   7.5308  ?   ?    38.554   17.324      ?      ? 
1 1 1    9   32    8 o   89.967   16.271   23.957   7.6188   0.0000   0.0000   23.957   7.6188  ?   ?    89.967   16.271      ?      ? 
1 1 1    9   32    9 o   37.037   16.734  -2.7529   7.1406   0.0000   0.0000  -2.7529   7.1406  ?   ?    37.037   16.734      ?      ? 
1 1 1    9   32   10 o   51.173   19.389   6.3287   7.3686   0.0000   0.0000   6.3287   7.3686  ?   ?    51.173   19.389      ?      ? 
1 1 1    9   32   11 o   65.571   19.640   13.161   7.5050   0.0000   0.0000   13.161   7.5050  ?   ?    65.571   19.640      ?      ? 
1 1 1    9   32   12 o  114.702   12.178   37.041   7.5479   0.0000   0.0000   37.041   7.5479  ?   ?   114.702   12.178      ?      ? 
1 1 1    9   32   13 o   39.506   17.405  -0.7997   7.2284   0.0000   0.0000  -0.7997   7.2284  ?   ?    39.506   17.405      ?      ? 
1 1 1    9   32   14 o   50.021   19.217   5.8927   7.3014   0.0000   0.0000   5.8927   7.3014  ?   ?    50.021   19.217      ?      ? 
1 1 1    9   32   15 o  163.932   9.4331   74.542   8.3562   0.0000   0.0000   74.542   8.3562  ?   ?   163.932   9.4331      ?      ? 
1 1 1    9   32   16 o   55.613   19.317   8.8346   7.1008   0.0000   0.0000   8.8346   7.1008  ?   ?    55.613   19.317      ?      ? 
1 1 1    9   32   17 o   55.841   19.665   8.8376   7.3715   0.0000   0.0000   8.8376   7.3715  ?   ?    55.841   19.665      ?      ? 
1 1 1    9   32   18 f  116.306   12.392   38.279   7.7881   0.0000   0.0000   38.279   7.7881  ?   ?   116.306   12.392      ?      ? 
1 1 1    9   32   19 o  129.337   25.061   55.439   16.882   0.0000   0.0000   55.439   16.882  ?   ?   129.337   25.061      ?      ? 
1 1 1    9   32   20 o   44.390   18.795   2.1089   7.7921   0.0000   0.0000   2.1089   7.7921  ?   ?    44.390   18.795      ?      ? 
1 1 1    9   32   21 f  130.717   11.415   48.281   8.0629   0.0000   0.0000   48.281   8.0629  ?   ?   130.717   11.415      ?      ? 
1 1 1    9   32   22 o   65.454   19.500   13.522   7.4132   0.0000   0.0000   13.522   7.4132  ?   ?    65.454   19.500      ?      ? 
1 1 1    9   32   23 o   57.442   19.506   10.098   7.2278   0.0000   0.0000   10.098   7.2278  ?   ?    57.442   19.506      ?      ? 
1 1 1    9   32   24 o   59.671   19.626   11.344   7.3256   0.0000   0.0000   11.344   7.3256  ?   ?    59.671   19.626      ?      ? 
1 1 1    9   32   25 o   50.321   19.345   6.7326   7.4025   0.0000   0.0000   6.7326   7.4025  ?   ?    50.321   19.345      ?      ? 
1 1 1    9   32   26 o   46.535   14.139   1.8542   6.6799 -11.7117   13.154   6.5685   7.7542   42.376   20.273   50.694   19.713 -8.317814 28.27738 
1 1 1    9   32   27 o  115.192   15.907   40.821   9.5880   66.982   15.605   24.955   12.153  146.234   19.748   84.149   24.943 62.08501 31.81414 
1 1 1    9   32   28 o   39.672   18.488  -5.6198   9.6904   0.0000   0.0000  -5.6198   9.6904  ?   ?    39.672   18.488      ?      ? 
1 1 1    9   32   29 o  109.353   16.645   36.859   9.8353   0.0000   0.0000   36.859   9.8353  ?   ?   109.353   16.645      ?      ? 
1 1 1    9   32   30 o   53.690   17.455   1.2724   12.333 -14.2320   18.522   13.622   16.530   46.073   22.513   61.307   26.681 -15.23368 34.91000 
1 1 1    9   32   31 o   46.864   16.132 -14.6440   13.232 -23.3784   19.861  -7.6734   17.743   44.851   22.186   48.877   23.426 -4.025997 32.26440 
1 1 1    9   32   32 o   59.369   18.895  -7.9192   13.573   32.297   21.806 -33.3559   17.342   79.918   32.405   38.821   19.443 41.09731 37.79077 
1 1 1    9   32   33 o   88.960   16.508   30.726   8.2083   36.681   11.507   24.558   11.712  100.367   21.838   77.553   24.762 22.81367 33.01628 
1 1 1    9   32   34 o   71.479   17.105   21.595   8.0485   24.556   10.775   17.858   12.105   78.001   23.571   64.956   24.794 13.04534 34.21009 
1 1 1    9   33    0 o   79.042   18.344   19.182   7.6837   0.0000   0.0000   19.182   7.6837  ?   ?    79.042   18.344      ?      ? 
1 1 1    9   33    1 o   88.729   17.573   23.839   8.1277   0.0000   0.0000   23.839   8.1277  ?   ?    88.729   17.573      ?      ? 
1 1 1    9   33    2 o   66.804   19.612   13.813   7.5441   0.0000   0.0000   13.813   7.5441  ?   ?    66.804   19.612      ?      ? 
1 1 1    9   33    3 o   47.277   19.136   4.0185   7.5893   0.0000   0.0000   4.0185   7.5893  ?   ?    47.277   19.136      ?      ? 
1 1 1    9   33    4 o   50.049   19.661   5.4879   7.7753   0.0000   0.0000   5.4879   7.7753  ?   ?    50.049   19.661      ?      ? 
1 1 1    9   33    5 o   65.495   19.982   13.253   7.7168   0.0000   0.0000   13.253   7.7168  ?   ?    65.495   19.982      ?      ? 
1 1 1    9   33    6 o  123.887   11.957   43.240   8.0047   0.0000   0.0000   43.240   8.0047  ?   ?   123.887   11.957      ?      ? 
1 1 1    9   33    7 o   55.870   19.917   8.7482   7.5838   0.0000   0.0000   8.7482   7.5838  ?   ?    55.870   19.917      ?      ? 
1 1 1    9   33    8 o   48.272   19.164   4.7531   7.4601   0.0000   0.0000   4.7531   7.4601  ?   ?    48.272   19.164      ?      ? 
1 1 1    9   33    9 o  106.361   14.088   32.375   8.0972   0.0000   0.0000   32.375   8.0972  ?   ?   106.361   14.088      ?      ? 
1 1 1    9   33   10 o   69.022   19.362   14.802   7.5150   0.0000   0.0000   14.802   7.5150  ?   ?    69.022   19.362      ?      ? 
1 1 1    9   33   11 o   36.261   16.630  -3.8833   7.3923   0.0000   0.0000  -3.8833   7.3923  ?   ?    36.261   16.630      ?      ? 
1 1 1    9   33   12 o   51.085   19.487   6.4701   7.4754   0.0000   0.0000   6.4701   7.4754  ?   ?    51.085   19.487      ?      ? 
1 1 1    9   33   13 o  125.235   11.748   44.356   7.9502   0.0000   0.0000   44.356   7.9502  ?   ?   125.235   11.748      ?      ? 
1 1 1    9   33   14 o  104.951   13.867   31.751   7.8644   0.0000   0.0000   31.751   7.8644  ?   ?   104.951   13.867      ?      ? 
1 1 1    9   33   15 o  131.991   11.522   49.268   8.2179   0.0000   0.0000   49.268   8.2179  ?   ?   131.991   11.522      ?      ? 
1 1 1    9   33   16 o  124.823   12.460   44.409   8.4044   0.0000   0.0000   44.409   8.4044  ?   ?   124.823   12.460      ?      ? 
1 1 1    9   33   17 o   80.926   18.121   20.429   7.7271   0.0000   0.0000   20.429   7.7271  ?   ?    80.926   18.121      ?      ? 
1 1 1    9   33   18 o  123.579   12.040   43.656   8.0400   0.0000   0.0000   43.656   8.0400  ?   ?   123.579   12.040      ?      ? 
1 1 1    9   33   19 o   36.374   16.677  -3.2211   7.4266   0.0000   0.0000  -3.2211   7.4266  ?   ?    36.374   16.677      ?      ? 
1 1 1    9   33   20 o  110.591   13.305   35.675   7.9512   0.0000   0.0000   35.675   7.9512  ?   ?   110.591   13.305      ?      ? 
1 1 1    9   33   21 o  113.898   12.986   37.601   7.9925   0.0000   0.0000   37.601   7.9925  ?   ?   113.898   12.986      ?      ? 
1 1 1    9   33   22 o   50.841   20.072   6.3174   8.1418   0.0000   0.0000   6.3174   8.1418  ?   ?    50.841   20.072      ?      ? 
1 1 1    9   33   23 o  155.951   13.072   70.277   11.016   0.0000   0.0000   70.277   11.016  ?   ?   155.951   13.072      ?      ? 
1 1 1    9   33   24 f   42.785   19.533  -2.8759   10.045   0.0000   0.0000  -2.8759   10.045  ?   ?    42.785   19.533      ?      ? 
1 1 1    9   33   26 o   60.699   22.299   13.413   9.5974   0.0000   0.0000   13.413   9.5974  ?   ?    60.699   22.299      ?      ? 
1 1 1    9   33   27 o   57.230   22.256   11.259   9.8836   0.0000   0.0000   11.259   9.8836  ?   ?    57.230   22.256      ?      ? 
1 1 1    9   33   28 f  123.872   11.678   46.679   7.1516   51.261   13.160   44.759   8.5192  124.722   19.527  123.021   12.815 1.700630 23.35656 
1 1 1    9   33   29 o   40.729   13.463  -2.9388   6.5060  -2.5541   12.665  -3.0767   7.5830   45.551   21.197   35.908   16.603 9.642090 26.92587 
1 1 1    9   33   30 f   41.790   13.468  -0.0718   6.3198   1.5498   11.031  -0.8640   7.7106   45.658   20.699   37.923   17.236 7.735146 26.93580 
1 1 1    9   34    0 o   35.790   16.704  -5.7353   7.9569   0.0000   0.0000  -5.7353   7.9569  ?   ?    35.790   16.704      ?      ? 
1 1 1    9   34    1 o   62.248   19.927   12.056   7.5811   0.0000   0.0000   12.056   7.5811  ?   ?    62.248   19.927      ?      ? 
1 1 1    9   34    2 o  184.049   9.4959   94.414   9.4440   0.0000   0.0000   94.414   9.4440  ?   ?   184.049   9.4959      ?      ? 
1 1 1    9   34    3 o   56.968   20.158   9.5175   7.7546   0.0000   0.0000   9.5175   7.7546  ?   ?    56.968   20.158      ?      ? 
1 1 1    9   34    4 o  112.555   13.579   36.447   8.2586   0.0000   0.0000   36.447   8.2586  ?   ?   112.555   13.579      ?      ? 
1 1 1    9   34    5 o   82.009   18.513   20.984   8.0095   0.0000   0.0000   20.984   8.0095  ?   ?    82.009   18.513      ?      ? 
1 1 1    9   34    6 o   50.719   19.573   6.3151   7.5994   0.0000   0.0000   6.3151   7.5994  ?   ?    50.719   19.573      ?      ? 
1 1 1    9   34    7 o   71.074   19.566   16.037   7.7520   0.0000   0.0000   16.037   7.7520  ?   ?    71.074   19.566      ?      ? 
1 1 1    9   34    8 o   41.476   18.021   0.5125   7.5158   0.0000   0.0000   0.5125   7.5158  ?   ?    41.476   18.021      ?      ? 
1 1 1    9   34    9 o   62.142   19.958   12.121   7.5999   0.0000   0.0000   12.121   7.5999  ?   ?    62.142   19.958      ?      ? 
1 1 1    9   34   10 o   85.260   17.975   22.705   8.0206   0.0000   0.0000   22.705   8.0206  ?   ?    85.260   17.975      ?      ? 
1 1 1    9   34   11 o   44.392   18.693   2.6981   7.6404   0.0000   0.0000   2.6981   7.6404  ?   ?    44.392   18.693      ?      ? 
1 1 1    9   34   12 o   31.473   15.176  -9.7430   7.7113   0.0000   0.0000  -9.7430   7.7113  ?   ?    31.473   15.176      ?      ? 
1 1 1    9   34   13 o  116.297   13.494   39.529   8.4798   0.0000   0.0000   39.529   8.4798  ?   ?   116.297   13.494      ?      ? 
1 1 1    9   34   14 o   45.727   19.148   3.4109   7.9443   0.0000   0.0000   3.4109   7.9443  ?   ?    45.727   19.148      ?      ? 
1 1 1    9   34   15 o   67.063   21.862   14.971   9.0973   0.0000   0.0000   14.971   9.0973  ?   ?    67.063   21.862      ?      ? 
1 1 1    9   34   16 o  100.939   19.742   32.661   10.382   0.0000   0.0000   32.661   10.382  ?   ?   100.939   19.742      ?      ? 
1 1 1    9   34   17 o   77.589   23.109   20.552   10.413   0.0000   0.0000   20.552   10.413  ?   ?    77.589   23.109      ?      ? 
1 1 1    9   34   18 o   59.193   22.529   10.257   9.9768   0.0000   0.0000   10.257   9.9768  ?   ?    59.193   22.529      ?      ? 
1 1 1    9   34   19 o  150.847   14.092   66.730   11.487   0.0000   0.0000   66.730   11.487  ?   ?   150.847   14.092      ?      ? 
1 1 1    9   34   20 o  109.109   17.187   36.869   10.133   0.0000   0.0000   36.869   10.133  ?   ?   109.109   17.187      ?      ? 
1 1 1    9   34   21 o  121.094   15.917   45.858   10.415   0.0000   0.0000   45.858   10.415  ?   ?   121.094   15.917      ?      ? 
1 1 1    9   34   22 o   71.311   22.082   19.186   9.3835   0.0000   0.0000   19.186   9.3835  ?   ?    71.311   22.082      ?      ? 
1 1 1    9   34   23 o  106.618   13.825   34.267   7.9650   0.0000   0.0000   34.267   7.9650  ?   ?   106.618   13.825      ?      ? 
1 1 1    9   34   24 f  108.254   13.659   35.068   7.9903   0.0000   0.0000   35.068   7.9903  ?   ?   108.254   13.659      ?      ? 
1 1 1    9   34   25 o   35.040   16.312  -3.7223   7.5089   0.0000   0.0000  -3.7223   7.5089  ?   ?    35.040   16.312      ?      ? 
1 1 1    9   34   26 o   44.095   18.456   4.4025   7.3763   0.0000   0.0000   4.4025   7.3763  ?   ?    44.095   18.456      ?      ? 
1 1 1    9   35    0 o   45.118   18.962   3.0893   7.8371   0.0000   0.0000   3.0893   7.8371  ?   ?    45.118   18.962      ?      ? 
1 1 1    9   35    1 o   52.663   20.331   7.5020   8.2016   0.0000   0.0000   7.5020   8.2016  ?   ?    52.663   20.331      ?      ? 
1 1 1    9   35    2 o   65.070   20.825   13.913   8.2797   0.0000   0.0000   13.913   8.2797  ?   ?    65.070   20.825      ?      ? 
1 1 1    9   35    3 o   41.559   18.525  -0.6824   8.4286   0.0000   0.0000  -0.6824   8.4286  ?   ?    41.559   18.525      ?      ? 
1 1 1    9   35    4 o   76.156   21.345   19.408   9.1367   0.0000   0.0000   19.408   9.1367  ?   ?    76.156   21.345      ?      ? 
1 1 1    9   35    5 o   40.122   19.034  -8.9921   11.108   0.0000   0.0000  -8.9921   11.108  ?   ?    40.122   19.034      ?      ? 
1 1 1    9   35    6 o   66.865   23.894   14.842   10.922   0.0000   0.0000   14.842   10.922  ?   ?    66.865   23.894      ?      ? 
1 1 1    9   35    7 o   38.681   18.374  -9.0398   10.413   0.0000   0.0000  -9.0398   10.413  ?   ?    38.681   18.374      ?      ? 
1 1 1    9   35    8 o   40.486   18.918  -6.1987   10.253   0.0000   0.0000  -6.1987   10.253  ?   ?    40.486   18.918      ?      ? 
1 1 1    9   35    9 o   55.464   22.639   7.2213   10.729   0.0000   0.0000   7.2213   10.729  ?   ?    55.464   22.639      ?      ? 
1 1 1    9   35   11 o  137.681   16.216   56.802   12.064   0.0000   0.0000   56.802   12.064  ?   ?   137.681   16.216      ?      ? 
1 1 1    9   35   12 o   48.004   21.132   1.3995   10.635   0.0000   0.0000   1.3995   10.635  ?   ?    48.004   21.132      ?      ? 
1 1 1    9   35   13 o   95.634   21.588   30.938   10.892   0.0000   0.0000   30.938   10.892  ?   ?    95.634   21.588      ?      ? 
1 1 1    9   35   14 o   49.116   20.508   5.3313   9.0766   0.0000   0.0000   5.3313   9.0766  ?   ?    49.116   20.508      ?      ? 
1 1 1    9   35   15 o   42.189   18.543   1.6468   8.1602   0.0000   0.0000   1.6468   8.1602  ?   ?    42.189   18.543      ?      ? 
1 1 1    9   35   16 o   35.768   16.677  -3.6809   7.8981   0.0000   0.0000  -3.6809   7.8981  ?   ?    35.768   16.677      ?      ? 
1 1 1    9   35   17 o   56.124   20.291   10.668   7.9012   0.0000   0.0000   10.668   7.9012  ?   ?    56.124   20.291      ?      ? 
1 1 1    9   35   18 f   69.139   20.181   16.589   8.0087   0.0000   0.0000   16.589   8.0087  ?   ?    69.139   20.181      ?      ? 
1 1 1    9   35   19 o   57.786   20.443   11.209   7.9754   0.0000   0.0000   11.209   7.9754  ?   ?    57.786   20.443      ?      ? 
1 1 1    9   35   20 o   62.161   20.691   13.768   8.1334   0.0000   0.0000   13.768   8.1334  ?   ?    62.161   20.691      ?      ? 
1 1 1    9   35   21 o   82.191   18.571   23.261   8.0537   0.0000   0.0000   23.261   8.0537  ?   ?    82.191   18.571      ?      ? 
1 1 1    9   35   22 o   35.809   16.710  -3.3833   7.9573   0.0000   0.0000  -3.3833   7.9573  ?   ?    35.809   16.710      ?      ? 
1 1 1    9   36    0 o   58.259   23.819   11.087   11.901   0.0000   0.0000   11.087   11.901  ?   ?    58.259   23.819      ?      ? 
1 1 1    9   36    1 o   58.609   23.750   11.527   11.704   0.0000   0.0000   11.527   11.704  ?   ?    58.609   23.750      ?      ? 
1 1 1    9   36    2 o   57.191   22.906   10.882   10.751   0.0000   0.0000   10.882   10.751  ?   ?    57.191   22.906      ?      ? 
1 1 1    9   36    3 o   44.106   19.738   1.1748   9.6704   0.0000   0.0000   1.1748   9.6704  ?   ?    44.106   19.738      ?      ? 
1 1 1    9   36    4 o   65.595   20.913   15.645   8.3564   0.0000   0.0000   15.645   8.3564  ?   ?    65.595   20.913      ?      ? 
1 1 1    9   36    5 o   40.224   17.944   0.5477   7.9249   0.0000   0.0000   0.5477   7.9249  ?   ?    40.224   17.944      ?      ? 
1 1 1    9   36    6 o   31.563   15.281  -9.3425   8.0141   0.0000   0.0000  -9.3425   8.0141  ?   ?    31.563   15.281      ?      ? 
1 1 1    9   36    7 o   43.548   18.722   3.1378   7.9436   0.0000   0.0000   3.1378   7.9436  ?   ?    43.548   18.722      ?      ? 
1 1 1    9   36    8 o   46.070   19.058   4.9253   7.7349   0.0000   0.0000   4.9253   7.7349  ?   ?    46.070   19.058      ?      ? 
1 1 1    9   36    9 o   50.741   19.666   7.6002   7.6980   0.0000   0.0000   7.6002   7.6980  ?   ?    50.741   19.666      ?      ? 
1 1 1    9   36   10 o   42.152   18.378   1.6539   7.8730   0.0000   0.0000   1.6539   7.8730  ?   ?    42.152   18.378      ?      ? 
1 1 1    9   36   11 o   37.769   17.236  -2.0288   7.8100   0.0000   0.0000  -2.0288   7.8100  ?   ?    37.769   17.236      ?      ? 
1 1 1    9   36   12 o   32.593   15.574  -7.3893   7.7116   0.0000   0.0000  -7.3893   7.7116  ?   ?    32.593   15.574      ?      ? 
1 1 1    9   36   13 o   41.526   18.270   1.4099   7.9388   0.0000   0.0000   1.4099   7.9388  ?   ?    41.526   18.270      ?      ? 
1 1 1    9   36   14 o   85.275   18.192   24.629   8.1274   0.0000   0.0000   24.629   8.1274  ?   ?    85.275   18.192      ?      ? 
1 1 1    9   36   15 o   49.631   19.821   7.5559   8.0248   0.0000   0.0000   7.5559   8.0248  ?   ?    49.631   19.821      ?      ? 
1 1 1    9   36   16 o   43.342   18.745   3.3256   8.0574   0.0000   0.0000   3.3256   8.0574  ?   ?    43.342   18.745      ?      ? 
1 1 1    9   37    0 o   26.062   13.059 -18.4878   7.8634   0.0000   0.0000 -18.4878   7.8634  ?   ?    26.062   13.059      ?      ? 
1 1 1    9   37    1 o   59.320   20.671   12.883   8.1342   0.0000   0.0000   12.883   8.1342  ?   ?    59.320   20.671      ?      ? 
1 1 1    9   37    2 f   54.076   20.421   10.142   8.1560   0.0000   0.0000   10.142   8.1560  ?   ?    54.076   20.421      ?      ? 
1 1 1    9   37    3 o   56.863   20.512   11.674   8.0677   0.0000   0.0000   11.674   8.0677  ?   ?    56.863   20.512      ?      ? 
1 1 1    9   37    4 o   44.537   18.960   4.2523   8.0027   0.0000   0.0000   4.2523   8.0027  ?   ?    44.537   18.960      ?      ? 
1 1 1    9   37    5 o   40.883   18.128   1.4640   7.9649   0.0000   0.0000   1.4640   7.9649  ?   ?    40.883   18.128      ?      ? 
1 1 1   10    0    0 o  273.019   4.0350  201.669   8.4102  201.669   8.4102  201.669   8.4102  273.019   5.7063  273.019   5.7063 0.000000 0.000000 
1 1 1   10    0    1 o  223.680   3.6189  135.400   6.1786  135.400   6.1786  135.400   6.1786  223.680   5.1179  223.680   5.1179 0.000000 0.000000 
1 1 1   10    0    2 o  928.272   11.167  2331.34   79.166  2331.34   79.166  2331.34   79.166  928.272   15.793  928.272   15.793 0.000000 0.000000 
1 1 1   10    0    3 o  118.944   3.1175   38.383   2.8249   38.383   2.8249   38.383   2.8249  118.944   4.4088  118.944   4.4088 0.000000 0.000000 
1 1 1   10    0    5 o  979.308   11.770  2595.11   88.028  2595.11   88.028  2595.11   88.028  979.308   16.645  979.308   16.645 0.000000 0.000000 
1 1 1   10    0    6 o  179.085   3.3956   86.844   4.6395   86.844   4.6395   86.844   4.6395  179.085   4.8020  179.085   4.8020 0.000000 0.000000 
1 1 1   10    0    7 o  546.543   6.8618  808.020   28.639  808.020   28.639  808.020   28.639  546.543   9.7041  546.543   9.7041 0.000000 0.000000 
1 1 1   10    0    8 o  927.079   11.176  2325.68   79.126  2325.68   79.126  2325.68   79.126  927.079   15.805  927.079   15.805 0.000000 0.000000 
1 1 1   10    0    9 o  274.323   4.1622  203.621   8.7164  203.621   8.7164  203.621   8.7164  274.323   5.8862  274.323   5.8862 0.000000 0.000000 
1 1 1   10    0   10 o  1018.08   12.224  2805.46   95.041  2805.46   95.041  2805.46   95.041  1018.08   17.287  1018.08   17.287 0.000000 0.000000 
1 1 1   10    0   11 o  1599.06   19.061  6934.96  232.770  6934.96  232.770  6934.96  232.770  1599.06   26.956  1599.06   26.956 0.000000 0.000000 
1 1 1   10    0   12 o  1363.22   16.280  5038.59  169.494  5038.59  169.494  5038.59  169.494  1363.22   23.024  1363.22   23.024 0.000000 0.000000 
1 1 1   10    0   13 o  396.750   5.2703  425.873   15.966  425.873   15.966  425.873   15.966  396.750   7.4533  396.750   7.4533 0.000000 0.000000 
1 1 1   10    0   14 o  187.658   3.4969   95.358   5.0070   95.358   5.0070   95.358   5.0070  187.658   4.9454  187.658   4.9454 0.000000 0.000000 
1 1 1   10    0   15 o  256.282   3.9921  177.749   7.8100  177.749   7.8100  177.749   7.8100  256.282   5.6457  256.282   5.6457 0.000000 0.000000 
1 1 1   10    0   16 o  293.550   4.3097  233.175   9.6585  233.175   9.6585  233.175   9.6585  293.550   6.0948  293.550   6.0948 0.000000 0.000000 
1 1 1   10    0   17 o  255.848   4.0196  177.155   7.8502  177.155   7.8502  177.155   7.8502  255.848   5.6845  255.848   5.6845 0.000000 0.000000 
1 1 1   10    0   19 o  587.800   7.3594  935.123   33.035  935.123   33.035  935.123   33.035  587.800   10.408  587.800   10.408 0.000000 0.000000 
1 1 1   10    0   20 o  457.064   5.9656  565.298   20.821  565.298   20.821  565.298   20.821  457.064   8.4367  457.064   8.4367 0.000000 0.000000 
1 1 1   10    0   21 o  142.323   3.8349   54.976   4.1572   54.976   4.1572   54.976   4.1572  142.323   5.4234  142.323   5.4234 0.000000 0.000000 
1 1 1   10    0   22 o   45.299   9.2320   6.7646   2.7720   6.7646   2.7720   6.7646   2.7720   45.299   13.056   45.299   13.056 0.000000 0.000000 
1 1 1   10    0   23 o  361.686   5.0543  353.966   13.958  353.966   13.958  353.966   13.958  361.686   7.1478  361.686   7.1478 0.000000 0.000000 
1 1 1   10    0   24 o  729.479   12.679  1442.79   70.583  1442.79   70.583  1442.79   70.583  729.479   17.931  729.479   17.931 0.000000 0.000000 
1 1 1   10    0   25 o  558.365   9.9930  844.820   42.578  844.820   42.578  844.820   42.578  558.365   14.132  558.365   14.132 0.000000 0.000000 
1 1 1   10    0   26 o  606.101   10.809  995.495   49.995  995.495   49.995  995.495   49.995  606.101   15.287  606.101   15.287 0.000000 0.000000 
1 1 1   10    0   27 o  399.507   7.8152  432.432   23.818  432.432   23.818  432.432   23.818  399.507   11.052  399.507   11.052 0.000000 0.000000 
1 1 1   10    0   28 o  731.613   9.0024  1448.40   50.297  1448.40   50.297  1448.40   50.297  731.613   12.731  731.613   12.731 0.000000 0.000000 
1 1 1   10    0   29 o  651.885   8.1361  1149.87   40.503  1149.87   40.503  1149.87   40.503  651.885   11.506  651.885   11.506 0.000000 0.000000 
1 1 1   10    0   30 o  863.850   10.518  2019.95   69.387  2019.95   69.387  2019.95   69.387  863.850   14.874  863.850   14.874 0.000000 0.000000 
1 1 1   10    0   31 o  530.664   6.8719  761.932   27.847  761.932   27.847  761.932   27.847  530.664   9.7183  530.664   9.7183 0.000000 0.000000 
1 1 1   10    0   32 o  1202.56   14.419  3918.30  132.419  3918.30  132.419  3918.30  132.419  1202.56   20.391  1202.56   20.391 0.000000 0.000000 
1 1 1   10    0   33 f  1073.97   12.938  3124.71  106.116  3124.71  106.116  3124.71  106.116  1073.97   18.297  1073.97   18.297 0.000000 0.000000 
1 1 1   10    0   34 o  547.515   7.0846  811.243   29.620  811.243   29.620  811.243   29.620  547.515   10.019  547.515   10.019 0.000000 0.000000 
1 1 1   10    0   35 o  578.373   7.4169  905.285   32.758  905.285   32.758  905.285   32.758  578.373   10.489  578.373   10.489 0.000000 0.000000 
1 1 1   10    0   36 o  550.515   7.1526  820.221   30.068  820.221   30.068  820.221   30.068  550.515   10.115  550.515   10.115 0.000000 0.000000 
1 1 1   10    0   37 o  402.297   5.8375  438.029   17.929  438.029   17.929  438.029   17.929  402.297   8.2554  402.297   8.2554 0.000000 0.000000 
1 1 1   10    0   41 o   19.343   9.6538  -6.9122   5.7262  -6.9122   5.7262  -6.9122   5.7262   19.343   13.653   19.343   13.653 0.000000 0.000000 
1 1 1   10    0   42 f  439.092   6.1116  522.066   20.490  522.066   20.490  522.066   20.490  439.092   8.6431  439.092   8.6431 0.000000 0.000000 
1 1 1   10    0   43 o  251.317   5.0998  171.213   9.7760  171.213   9.7760  171.213   9.7760  251.317   7.2121  251.317   7.2121 0.000000 0.000000 
1 1 1   10    0   44 o  306.033   5.1625  253.743   12.058  253.743   12.058  253.743   12.058  306.033   7.3008  306.033   7.3008 0.000000 0.000000 
1 1 1   10    0   45 o   38.361   14.321   5.7971   5.6045   5.7971   5.6045   5.7971   5.6045   38.361   20.253   38.361   20.253 0.000000 0.000000 
1 1 1   10    0   46 o  326.924   5.2980  289.662   13.220  289.662   13.220  289.662   13.220  326.924   7.4925  326.924   7.4925 0.000000 0.000000 
1 1 1   10    0   47 o  399.210   5.8394  432.078   17.797  432.078   17.797  432.078   17.797  399.210   8.2581  399.210   8.2581 0.000000 0.000000 
1 1 1   10    0   48 o   43.152   15.028   7.5089   5.9224   7.5089   5.9224   7.5089   5.9224   43.152   21.253   43.152   21.253 0.000000 0.000000 
1 1 1   10    0   49 o  258.399   5.2192  181.248   10.287  181.248   10.287  181.248   10.287  258.399   7.3810  258.399   7.3810 0.000000 0.000000 
1 1 1   10    0   50 o  111.832   7.6016   34.895   6.3585   34.895   6.3585   34.895   6.3585  111.832   10.750  111.832   10.750 0.000000 0.000000 
1 1 1   10    0   51 o  107.548   7.9160   32.448   6.3446   32.448   6.3446   32.448   6.3446  107.548   11.195  107.548   11.195 0.000000 0.000000 
1 1 1   10    0   52 o  196.540   5.4512  105.230   8.1587  105.230   8.1587  105.230   8.1587  196.540   7.7091  196.540   7.7091 0.000000 0.000000 
1 1 1   10    0   53 o   26.111   12.072  -0.5933   5.9407  -0.5933   5.9407  -0.5933   5.9407   26.111   17.072   26.111   17.072 0.000000 0.000000 
1 1 1   10    0   54 o  233.622   5.2358  148.532   9.3263  148.532   9.3263  148.532   9.3263  233.622   7.4045  233.622   7.4045 0.000000 0.000000 
1 1 1   10    0   55 o   23.503   11.217  -2.4900   5.8592  -2.4900   5.8592  -2.4900   5.8592   23.503   15.863   23.503   15.863 0.000000 0.000000 
1 1 1   10    0   56 o  218.147   5.4205  129.803   9.0110  129.803   9.0110  129.803   9.0110  218.147   7.6657  218.147   7.6657 0.000000 0.000000 
1 1 1   10    0   57 o  161.626   6.1138   71.764   7.5020   71.764   7.5020   71.764   7.5020  161.626   8.6462  161.626   8.6462 0.000000 0.000000 
1 1 1   10    0   58 o   66.732   14.644   15.530   6.5409   15.530   6.5409   15.530   6.5409   66.732   20.710   66.732   20.710 0.000000 0.000000 
1 1 1   10    0   59 o   73.378   13.397   17.693   6.4927   17.693   6.4927   17.693   6.4927   73.378   18.946   73.378   18.946 0.000000 0.000000 
1 1 1   10    0   60 o   49.208   15.982   10.124   6.5800   10.124   6.5800   10.124   6.5800   49.208   22.602   49.208   22.602 0.000000 0.000000 
1 1 1   10    0   61 o  276.651   5.4980  209.243   11.603  209.243   11.603  209.243   11.603  276.651   7.7754  276.651   7.7754 0.000000 0.000000 
1 1 1   10    0   62 o  240.152   5.7755  158.182   10.571  158.182   10.571  158.182   10.571  240.152   8.1677  240.152   8.1677 0.000000 0.000000 
1 1 1   10    0   63 o   31.004   14.013   1.5167   7.4219   1.5167   7.4219   1.5167   7.4219   31.004   19.817   31.004   19.817 0.000000 0.000000 
1 1 1   10    0   65 o   95.167   13.362   28.832   8.6322   28.832   8.6322   28.832   8.6322   95.167   18.896   95.167   18.896 0.000000 0.000000 
1 1 1   10    0   66 f   29.002   13.715  -1.0601   8.3976  -1.0601   8.3976  -1.0601   8.3976   29.002   19.396   29.002   19.396 0.000000 0.000000 
1 1 1   10    1    0 o  400.194   5.2770  432.655   11.409  425.749   15.930  439.928   16.347  396.917   7.4275  403.472   7.4979 -6.554688 10.55394 
1 1 1   10    1    1 o  298.230   4.2666  240.298   6.8749  242.865   9.8157  237.827   9.6321  299.793   6.0591  296.667   6.0085 3.125122 8.533157 
1 1 1   10    1    2 o  349.878   6.7242  330.806   12.713   0.0000   0.0000  330.806   12.713  ?   ?   349.878   6.7242      ?      ? 
1 1 1   10    1    3 o  503.858   6.3760  685.842   17.354  674.170   24.169  698.264   24.934  499.436   8.9554  508.280   9.0783 -8.843842 12.75205 
1 1 1   10    1    4 o  499.312   8.9434  673.846   24.130   0.0000   0.0000  673.846   24.130  ?   ?   499.312   8.9434      ?      ? 
1 1 1   10    1    5 o  1754.08   20.813  8343.97  197.204  8473.24  283.452  8222.71  274.539  1767.18   29.683  1740.98   29.182 26.19934 41.62574 
1 1 1   10    1    6 o  1270.98   15.142  4373.67  103.980  4420.10  148.685  4329.23  145.467  1277.56   21.538  1264.40   21.291 13.16687 30.28478 
1 1 1   10    1    7 o  1800.70   21.374  8801.23  207.969  8856.75  296.070  8747.16  292.193  1806.27   30.333  1795.12   30.122 11.15125 42.74895 
1 1 1   10    1    8 o  1114.17   13.365  3358.44   80.437  3298.43  111.923  3422.55  115.680  1103.89   18.763  1124.44   19.038 -20.54810 26.73047 
1 1 1   10    1    9 o  437.171   5.7074  516.350   13.479  508.194   18.795  524.987   19.341  433.619   8.0213  440.723   8.1214 -7.104004 11.41480 
1 1 1   10    1   10 o  1007.29   12.093  2745.83   65.805  2712.41   91.842  2781.10   94.331  1001.01   16.979  1013.58   17.223 -12.56854 24.18521 
1 1 1   10    1   12 o  902.223   10.896  2204.59   53.121  2211.80   75.284  2197.45   74.966  903.690   15.417  900.756   15.402 2.934021 21.79196 
1 1 1   10    1   13 o  337.471   4.6672  307.807   8.5104  311.136   12.125  304.574   11.948  339.269   6.6137  335.673   6.5871 3.596191 9.334378 
1 1 1   10    1   14 o  613.321   7.6082  1017.64   25.215  1016.21   35.616  1019.07   35.703  612.890   10.754  613.752   10.765 -0.8618774 15.21641 
1 1 1   10    1   15 o  860.555   10.414  2004.69   48.402  1968.88   67.204  2043.29   69.768  852.595   14.587  868.515   14.866 -15.91968 20.82730 
1 1 1   10    1   16 o  253.090   3.9683  172.943   5.4240  179.008   7.8320  167.353   7.5190  257.349   5.6320  248.831   5.5920 8.518234 7.936590 
1 1 1   10    1   17 o  924.774   11.158  2317.53   55.751  2293.77   78.019  2342.31   79.695  919.949   15.695  929.600   15.865 -9.650635 22.31659 
1 1 1   10    1   18 o  488.998   6.2713  646.645   16.569  640.455   23.211  653.077   23.660  486.615   8.8271  491.381   8.9106 -4.766663 12.54257 
1 1 1   10    1   19 o  170.325   3.6456   78.420   3.3544   78.743   4.6956   78.083   4.7937  170.685   5.0911  169.966   5.2194 0.7185516 7.291162 
1 1 1   10    1   20 o  311.937   4.5397  263.010   7.6511  260.319   10.717  265.806   10.927  310.311   6.3913  313.562   6.4487 -3.251404 9.079347 
1 1 1   10    1   21 o  667.209   8.2453  1204.49   29.718  1187.39   41.421  1222.63   42.662  662.340   11.573  672.079   11.747 -9.738708 16.49055 
1 1 1   10    1   22 o  403.604   5.4342  439.513   11.834  424.056   16.207  457.164   17.320  396.024   7.5736  411.184   7.7951 -15.15985 10.86850 
1 1 1   10    1   23 o  472.080   6.1434  601.268   15.645  580.033   21.385  625.721   22.949  463.140   8.5449  481.021   8.8289 -17.88062 12.28680 
1 1 1   10    1   24 o  950.349   14.052  2456.80   68.298  2470.56   84.119  2430.18  116.996  954.908   16.302  945.791   22.892 9.117676 28.10366 
1 1 1   10    1   25 o  308.799   5.6555  244.383   8.5668  289.865   16.511  227.628   10.021  327.400   9.3327  290.198   6.3905 37.20126 11.31102 
1 1 1   10    1   26 o  141.970   6.1105   54.475   4.6877   0.0000   0.0000   54.475   4.6877  ?   ?   141.970   6.1105      ?      ? 
1 1 1   10    1   27 o  253.034   5.2607  168.386   6.6723  161.068   7.9726  185.495   12.190  244.125   6.0436  261.943   8.6124 -17.81831 10.52136 
1 1 1   10    1   28 o  1042.05   15.372  2946.36   81.695  2949.98  100.215  2939.19  141.051  1043.63   17.770  1040.46   25.088 3.175049 30.74390 
1 1 1   10    1   29 o  172.547   4.3320   80.497   4.0362   84.137   5.7155   76.876   5.7006  176.441   5.9947  168.653   6.2551 7.788086 8.663910 
1 1 1   10    1   30 o  231.418   4.4090  144.439   5.5076  152.982   7.9977  136.733   7.5957  237.913   6.2210  224.923   6.2495 12.99013 8.818007 
1 1 1   10    1   31 o  1100.66   13.237  3283.22   78.726  3268.66  110.814  3298.06  111.864  1098.21   18.673  1103.12   18.766 -4.910889 26.47398 
1 1 1   10    1   32 o  622.984   7.8542  1048.74   26.420  1076.48   38.289  1023.53   36.501  630.830   11.232  615.138   10.981 15.69263 15.70831 
1 1 1   10    1   33 o  516.602   6.7574  721.776   18.863  720.367   26.636  723.193   26.718  516.097   9.5511  517.107   9.5617 -1.010681 13.51478 
1 1 1   10    1   34 o  934.866   11.349  2368.63   57.330  2380.64   81.526  2356.88   80.634  937.202   16.098  932.530   16.002 4.671997 22.69821 
1 1 1   10    1   35 o  503.759   6.6658  685.393   18.128  707.795   26.358  665.287   24.970  511.552   9.5354  495.966   9.3172 15.58679 13.33169 
1 1 1   10    1   36 o  235.785   5.0592  150.223   6.4434  144.633   9.0021  156.095   9.2269  231.289   7.2028  240.281   7.1064 -8.992157 10.11833 
1 1 1   10    1   37 o  754.513   13.233  1545.51   53.954  1548.65   76.156  1542.34   76.449  755.293   18.660  753.732   18.770 1.560608 26.46697 
1 1 1   10    1   38 o  830.341   14.449  1875.35   64.832  1877.48   91.476  1873.20   91.897  830.831   20.375  829.852   20.493 0.9793091 28.89873 
1 1 1   10    1   40 o  255.549   7.2696  177.058   10.025  169.414   14.326  184.392   14.034  250.120   10.600  260.977   9.9513 -10.85753 14.53910 
1 1 1   10    1   41 o  309.586   6.5606  257.825   10.216  264.189   18.241  254.917   12.331  312.228   10.812  306.944   7.4346 5.283569 13.12129 
1 1 1   10    1   42 o  293.012   5.1422  232.139   8.1386  240.577   11.686  224.193   11.341  298.179   7.2528  287.844   7.2914 10.33459 10.28432 
1 1 1   10    1   43 o  534.498   7.0335  774.357   20.314  778.573   28.847  770.211   28.611  535.939   9.9610  533.058   9.9327 2.880920 14.06697 
1 1 1   10    1   44 o  226.875   5.0599  139.193   6.1996  134.076   8.5976  144.736   8.9481  222.537   7.1497  231.213   7.1619 -8.675995 10.11984 
1 1 1   10    1   45 o  571.167   7.4209  884.380   22.876  915.136   33.359  857.075   31.431  580.487   10.635  561.846   10.353 18.64056 14.84178 
1 1 1   10    1   46 o  205.042   5.2327  113.638   5.7902  120.385   8.4455  107.653   7.9538  210.769   7.4153  199.314   7.3849 11.45470 10.46540 
1 1 1   10    1   47 o  226.234   5.1552  138.500   6.2948  129.725   8.7112  148.089   9.1064  218.740   7.3699  233.728   7.2102 -14.98802 10.31035 
1 1 1   10    1   48 o  214.629   5.1356  124.493   5.9455  117.867   8.1186  132.157   8.7313  208.497   7.2060  220.762   7.3193 -12.26511 10.27121 
1 1 1   10    1   49 o   83.740   9.5566   19.237   4.3238   19.024   6.1447   19.446   6.0851   83.267   13.656   84.213   13.372 -0.9457932 19.11326 
1 1 1   10    1   50 o  326.684   5.3495  289.649   9.4387  281.349   13.100  298.610   13.611  321.829   7.5327  331.539   7.5977 -9.709869 10.69891 
1 1 1   10    1   51 o  154.290   5.9201   64.798   4.9349   63.701   6.9978   65.883   6.9603  152.978   8.4654  155.601   8.2780 -2.623413 11.84013 
1 1 1   10    1   52 o  205.390   5.2888  114.749   5.8687  116.053   8.3948  113.503   8.2077  206.522   7.5223  204.257   7.4363 2.265457 10.57752 
1 1 1   10    1   53 o   86.891   9.6299   21.532   4.3297   25.398   6.0244   17.401   6.2268   96.055   11.607   77.728   15.370 18.32710 19.25986 
1 1 1   10    1   54 o  374.135   5.7404  382.077   11.605  381.120   16.385  383.041   16.440  373.666   8.1145  374.603   8.1218 -0.9370422 11.48082 
1 1 1   10    1   55 o   83.216   10.132   19.921   4.3885   16.093   6.2446   23.656   6.1685   74.145   16.051   92.286   12.370 -18.14033 20.26453 
1 1 1   10    1   56 f  200.971   5.4949  110.431   5.9667  108.264   8.3817  112.658   8.4959  198.964   7.7960  202.977   7.7459 -4.013458 10.98983 
1 1 1   10    1   57 o  274.325   5.3475  205.784   7.9228  209.872   11.428  202.001   10.994  276.912   7.6372  271.737   7.4872 5.174896 10.69505 
1 1 1   10    1   58 o  318.349   5.5744  278.063   9.5877  282.076   13.503  273.983   13.616  320.722   7.7914  315.977   7.9745 4.745148 11.14886 
1 1 1   10    1   59 o  338.792   5.7119  315.394   10.449  308.414   14.453  323.039   15.125  334.936   7.9856  342.648   8.1690 -7.711945 11.42378 
1 1 1   10    1   60 o  218.278   5.6538  131.226   6.6656  132.477   9.3147  129.913   9.5425  219.415   7.8563  217.141   8.1326 2.274139 11.30753 
1 1 1   10    1   61 o  136.351   7.2284   51.871   5.3193   48.467   7.4333   55.443   7.6152  131.672   10.447  141.030   9.9927 -9.358414 14.45672 
1 1 1   10    1   62 f   82.100   11.941   20.587   5.1198   20.115   7.1513   21.084   7.3333   81.123   16.864   83.077   16.910 -1.954247 23.88190 
1 1 1   10    1   63 o   77.813   12.858   19.424   5.3748   14.933   7.5573   24.022   7.6457   67.609   19.567   88.017   16.686 -20.40799 25.71561 
1 1 1   10    1   64 o   45.013   12.552  -4.4567   5.8193 -19.1594   7.9039   12.948   8.5996   26.664   13.320   63.362   21.278 -36.69881 25.10308 
1 1 1   10    1   65 o   75.069   13.437   18.841   5.9057   27.653   8.2882   9.7536   8.4171   93.878   16.963   56.259   20.845 37.61860 26.87446 
1 1 1   10    1   66 o  125.424   13.669   52.794   8.8543   61.104   12.336   43.964   12.717  139.335   16.384  111.513   21.885 27.82227 27.33858 
1 1 1   10    1   67 o   35.966   17.559 -13.1081   11.198 -13.1081   11.198   0.0000   0.0000   35.966   17.559  ?   ?       ?      ? 
1 1 1   10    2    0 o  1008.32   17.088  2750.36   93.107   0.0000   0.0000  2750.36   93.107  ?   ?   1008.32   17.088      ?      ? 
1 1 1   10    2    1 o  1358.39   16.155  4995.45  118.561  4938.96  165.664  5054.75  169.752  1350.54   22.700  1366.24   22.993 -15.70044 32.31084 
1 1 1   10    2    2 o  1302.85   15.509  4594.27  109.152  4658.91  156.672  4533.30  152.156  1311.73   22.103  1293.97   21.761 17.76099 31.01769 
1 1 1   10    2    3 o  1455.35   17.294  5736.49  135.971  5812.58  194.960  5664.43  189.732  1464.71   24.632  1445.98   24.282 18.72961 34.58867 
1 1 1   10    2    5 o  857.880   10.365  1990.48   48.050  1999.42   68.265  1981.71   67.644  859.786   14.693  855.974   14.624 3.812073 20.73086 
1 1 1   10    2    6 o  801.261   9.7191  1735.78   42.071  1713.34   58.733  1759.42   60.294  795.950   13.655  806.572   13.834 -10.62152 19.43828 
1 1 1   10    2    7 f  1341.00   15.973  4871.18  115.739  4895.50  164.647  4847.42  162.730  1344.29   22.666  1337.70   22.512 6.594116 31.94601 
1 1 1   10    2    8 o  540.063   8.3778  790.157   23.071  793.267   28.309  784.009   39.809  541.716   9.6710  538.411   13.683 3.305420 16.75555 
1 1 1   10    2    9 o  568.075   14.338  872.973   44.014   0.0000   0.0000  872.973   44.014  ?   ?   568.075   14.338      ?      ? 
1 1 1   10    2   10 o  1015.04   15.149  2764.99   76.895  2867.12  139.156  2720.10   92.259  1027.77   25.056  1002.31   17.034 25.46057 30.29818 
1 1 1   10    2   11 o  309.704   6.5207  259.252   10.913   0.0000   0.0000  259.252   10.913  ?   ?   309.704   6.5207      ?      ? 
1 1 1   10    2   12 o  927.129   11.264  2327.64   56.409  2361.65   81.134  2295.81   78.482  933.658   16.082  920.599   15.776 13.05872 22.52807 
1 1 1   10    2   13 o  564.959   8.7152  858.034   24.818  848.010   30.010  879.730   44.147  559.937   9.9182  569.982   14.333 -10.04474 17.43044 
1 1 1   10    2   14 o  147.629   4.7437   58.900   3.7842   0.0000   0.0000   58.900   3.7842  ?   ?   147.629   4.7437      ?      ? 
1 1 1   10    2   15 o  448.331   5.8184  542.820   14.083  528.154   19.424  559.073   20.449  441.959   8.1334  454.703   8.3224 -12.74426 11.63677 
1 1 1   10    2   16 o  852.659   10.329  1968.15   47.567  1930.83   65.973  2008.55   68.646  844.271   14.461  861.048   14.754 -16.77704 20.65890 
1 1 1   10    2   17 o  293.502   4.3203  232.820   6.8514  236.839   9.7580  228.911   9.6220  296.001   6.1007  291.004   6.1190 4.996735 8.640644 
1 1 1   10    2   18 f  636.411   7.8842  1094.23   27.076  1061.22   37.128  1131.72   39.570  626.195   10.972  646.627   11.325 -20.43127 15.76838 
1 1 1   10    2   19 o  652.451   8.0753  1151.37   28.452  1126.35   39.383  1178.68   41.149  645.059   11.299  659.844   11.541 -14.78491 16.15058 
1 1 1   10    2   20 o  484.663   6.2465  634.702   16.348  652.063   23.663  618.849   22.612  490.992   8.9187  478.334   8.7483 12.65845 12.49301 
1 1 1   10    2   21 o  565.734   7.1244  865.592   21.773  853.764   30.367  878.106   31.236  561.763   10.004  569.705   10.146 -7.941284 14.24875 
1 1 1   10    2   22 o  323.262   4.6789  282.367   8.1713  289.369   11.702  275.704   11.415  327.171   6.6191  319.353   6.6149 7.818573 9.357867 
1 1 1   10    2   23 o  194.993   4.9066  102.991   4.7382  103.299   5.6675  102.275   8.6354  195.501   5.3648  194.486   8.2168 1.014145 9.813136 
1 1 1   10    2   24 o  519.554   6.6568  729.992   18.689  729.464   26.365  730.525   26.495  519.366   9.3943  519.741   9.4339 -0.3756104 13.31354 
1 1 1   10    2   25 o  782.363   11.786  1650.07   46.567  1681.53   82.399  1635.31   56.445  787.438   19.365  777.288   13.439 10.14948 23.57109 
1 1 1   10    2   26 o  742.648   11.137  1493.47   42.210  1493.24   72.838  1493.59   51.793  742.335   18.158  742.960   12.901 -0.6250610 22.27430 
1 1 1   10    2   27 o  905.673   10.975  2213.59   53.581  2314.24   79.176  2128.55   72.778  924.571   15.848  886.775   15.188 37.79535 21.95035 
1 1 1   10    2   28 o  626.447   9.5234  1073.81   30.967  1107.20   39.065  1017.34   50.796  639.833   11.299  613.062   15.333 26.77136 19.04675 
1 1 1   10    2   29 o  679.960   8.4431  1250.45   31.018  1265.34   44.314  1236.15   43.431  683.924   11.991  675.996   11.890 7.928284 16.88611 
1 1 1   10    2   30 o   84.372   6.8677   19.196   3.1063   16.054   4.2682   22.734   4.5294   77.048   10.252   91.695   9.1413 -14.64703 13.73531 
1 1 1   10    2   31 o  1229.52   14.734  4099.19   97.869  4147.89  140.113  4052.80  136.762  1236.61   20.968  1222.42   20.704 14.19653 29.46724 
1 1 1   10    2   32 f  649.276   8.1411  1139.86   28.551  1160.53   41.083  1120.55   39.708  654.960   11.608  643.593   11.418 11.36755 16.28220 
1 1 1   10    2   33 o  882.670   10.751  2108.73   51.246  2156.15   74.117  2065.30   70.933  892.143   15.374  873.197   15.033 18.94629 21.50264 
1 1 1   10    2   34 o  289.943   4.9053  226.973   7.6803  235.929   11.108  218.770   10.631  295.416   6.9585  284.471   6.9158 10.94446 9.810652 
1 1 1   10    2   35 o  994.199   12.074  2663.54   64.533  2835.93   97.331  2528.32   86.204  1022.62   17.614  965.780   16.518 56.83789 24.14729 
1 1 1   10    2   36 o  373.366   7.7076  377.185   15.547  374.549   21.718  379.955   22.265  372.034   10.803  374.699   10.996 -2.664246 15.41517 
1 1 1   10    2   37 o  306.358   7.2017  250.950   11.833  230.631   15.612  278.378   18.139  291.969   9.8957  320.746   10.466 -28.77713 14.40331 
1 1 1   10    2   38 o  640.833   9.9746  1108.68   32.404  1100.19   39.428  1126.35   56.878  637.429   11.447  644.238   16.338 -6.808472 19.94928 
1 1 1   10    2   39 o  524.910   6.9348  745.511   19.665  736.629   27.440  754.888   28.196  521.704   9.7337  528.117   9.8805 -6.412476 13.86968 
1 1 1   10    2   40 o  484.246   9.3213  635.962   24.389  630.405   34.613  641.441   34.370  482.131   13.286  486.362   13.078 -4.230164 18.64253 
1 1 1   10    2   41 o  455.675   8.9821  562.228   22.075  581.081   32.427  545.946   30.135  462.739   12.968  448.611   12.431 14.12808 17.96429 
1 1 1   10    2   42 o  637.351   10.022  1099.72   32.263  1115.31   56.992  1092.37   39.139  640.026   16.479  634.676   11.412 5.349548 20.04476 
1 1 1   10    2   43 o   94.726   9.2178   25.296   4.4107   33.348   6.2616   17.365   6.2141  110.895   10.449   78.557   15.188 32.33744 18.43553 
1 1 1   10    2   44 o  285.471   5.1136  220.657   7.8880  221.902   11.144  219.406   11.167  286.281   7.2035  284.661   7.2599 1.619690 10.22722 
1 1 1   10    2   45 o  337.210   5.3490  307.164   9.7296  322.643   14.289  293.783   13.285  345.096   7.6626  329.323   7.4655 15.77322 10.69804 
1 1 1   10    2   46 o  438.432   6.1427  521.427   14.550  527.017   20.831  516.102   20.331  440.713   8.7470  436.151   8.6267 4.562347 12.28537 
1 1 1   10    2   47 o  499.732   6.7317  678.639   18.178  680.612   25.821  676.701   25.594  500.443   9.5485  499.020   9.4915 1.422577 13.46342 
1 1 1   10    2   48 o  271.115   5.1419  199.127   7.5288  208.249   10.830  190.596   10.474  277.124   7.2322  265.107   7.3111 12.01666 10.28381 
1 1 1   10    2   49 o  208.186   5.2433  117.685   5.8965  120.888   8.3191  114.452   8.3587  211.049   7.2947  205.324   7.5338 5.725128 10.48668 
1 1 1   10    2   50 f  320.159   5.3469  278.381   9.2482  282.013   13.248  274.928   12.916  322.184   7.6097  318.134   7.5133 4.050354 10.69379 
1 1 1   10    2   51 o  445.037   6.2707  539.518   15.079  535.154   21.205  543.983   21.448  443.223   8.8538  446.852   8.8824 -3.629547 12.54138 
1 1 1   10    2   52 o  202.971   5.2711  112.082   5.7769  118.087   8.2329  106.258   8.1080  208.353   7.3125  197.589   7.5939 10.76399 10.54224 
1 1 1   10    2   53 o  295.244   5.2827  237.376   8.4278  238.843   11.900  235.900   11.938  296.170   7.4354  294.318   7.5062 1.851868 10.56544 
1 1 1   10    2   54 o  216.718   5.2780  127.926   6.1784  132.824   8.8623  123.295   8.6181  220.760   7.4291  212.676   7.4990 8.083771 10.55592 
1 1 1   10    2   55 o   98.295   8.5403   27.074   4.4556   32.895   6.3175   21.312   6.2849  109.192   10.707   87.397   13.308 21.79559 17.08052 
1 1 1   10    2   56 o  145.124   6.4256   57.842   5.0259   52.428   7.0118   63.562   7.2077  138.059   9.3989  152.190   8.7645 -14.13025 12.85128 
1 1 1   10    2   57 o   41.361   11.920   2.1101   4.2409   4.0497   6.1633   0.3660   5.8445   45.024   17.556   37.697   16.129 7.326855 23.84054 
1 1 1   10    2   58 o  235.977   5.3690  152.449   6.8421  159.698   9.8488  145.688   9.5123  241.411   7.5498  230.542   7.6357 10.86923 10.73796 
1 1 1   10    2   59 o  185.015   6.0292   94.395   6.0190  100.737   8.5507   88.166   8.4740  191.285   8.2725  178.744   8.7734 12.54059 12.05846 
1 1 1   10    2   60 o  107.231   8.6604   32.547   5.0028   34.525   6.9748   30.451   7.1798  110.815   11.648  103.647   12.819 7.168152 17.32075 
1 1 1   10    2   61 o  180.423   6.0091   90.031   5.8569   88.635   8.3360   91.392   8.2308  178.982   8.6191  181.863   8.3754 -2.881088 12.01815 
1 1 1   10    2   62 o  199.697   5.9629  110.443   6.4317  106.053   9.0342  114.954   9.1587  195.607   8.5471  203.787   8.3170 -8.179504 11.92585 
1 1 1   10    2   63 o   90.770   11.226   25.060   5.3779   26.508   7.5624   23.578   7.6494   94.530   14.805   87.009   16.878 7.521057 22.45137 
1 1 1   10    2   64 o  111.542   10.374   36.623   6.1489   28.931   8.5179   44.993   8.8856   98.419   16.016  124.664   13.190 -26.24532 20.74867 
1 1 1   10    2   65 o   92.525   16.870   31.252   8.6104   36.036   11.862   25.923   12.519  102.246   22.113   82.804   25.484 19.44176 33.74001 
1 1 1   10    2   66 o  153.278   11.009   72.703   9.1005   77.568   12.900   67.883   12.840  159.073   15.007  147.483   16.112 11.59004 22.01851 
1 1 1   10    2   67 o  128.534   11.482   54.016   7.3515   56.951   9.0840   48.446   12.514  138.142   12.169  118.926   19.474 19.21592 22.96335 
1 1 1   10    3    0 o  1280.68   15.270  4440.65  105.671  4462.23  150.307  4419.56  148.591  1283.74   21.668  1277.61   21.523 6.134521 30.54066 
1 1 1   10    3    1 o  834.002   10.101  1881.07   45.520  1880.48   64.385  1881.66   64.366  833.871   14.289  834.132   14.280 -0.2610474 20.20132 
1 1 1   10    3    2 o  790.227   9.5975  1688.06   40.971  1664.41   57.141  1713.10   58.777  784.535   13.479  795.918   13.666 -11.38318 19.19494 
1 1 1   10    3    3 o  1291.60   15.392  4517.74  107.427  4520.62  152.123  4514.87  151.728  1292.01   21.789  1291.19   21.746 0.8175049 30.78426 
1 1 1   10    3    4 f  831.609   14.241  1870.43   63.994   0.0000   0.0000  1870.43   63.994  ?   ?   831.609   14.241      ?      ? 
1 1 1   10    3    6 o  937.119   15.972  2375.86   80.881   0.0000   0.0000  2375.86   80.881  ?   ?   937.119   15.972      ?      ? 
1 1 1   10    3    7 o  324.070   4.6095  283.753   8.0705  286.877   11.547  280.769   11.285  325.813   6.5584  322.327   6.4790 3.486145 9.218942 
1 1 1   10    3    8 o  657.250   9.9463  1177.49   33.644  1198.84   41.853  1138.51   56.562  665.854   11.632  648.647   16.137 17.20703 19.89264 
1 1 1   10    3    9 o  996.057   24.053  2691.44  129.461   0.0000   0.0000  2691.44  129.461  ?   ?   996.057   24.053      ?      ? 
1 1 1   10    3   12 o  642.513   11.358  1116.92   39.435   0.0000   0.0000  1116.92   39.435  ?   ?   642.513   11.358      ?      ? 
1 1 1   10    3   13 o  405.801   7.7243  444.906   16.921  432.658   23.306  458.559   24.606  399.910   10.785  411.693   11.061 -11.78250 15.44853 
1 1 1   10    3   14 o  690.813   10.486  1280.96   36.425  1261.19   43.916  1324.55   65.207  682.659   11.905  698.966   17.264 -16.30682 20.97108 
1 1 1   10    3   15 o  384.250   5.1688  399.151   10.732  396.705   15.084  401.659   15.271  383.059   7.2875  385.441   7.3320 -2.382690 10.33753 
1 1 1   10    3   16 o  634.797   7.8725  1090.45   27.004  1088.22   38.156  1092.70   38.224  634.145   11.135  635.449   11.132 -1.303894 15.74502 
1 1 1   10    3   17 o   85.194   3.8030   19.732   1.7403   21.656   2.4225   17.680   2.5017   89.513   5.0083   80.875   5.7244 8.637901 7.606038 
1 1 1   10    3   18 o  626.659   7.7831  1062.82   26.355  1068.77   37.435  1056.98   37.110  628.394   11.024  624.924   10.989 3.470459 15.56623 
1 1 1   10    3   19 f  285.159   4.2963  219.776   6.6192  217.282   9.2685  222.371   9.4564  283.509   6.0500  286.808   6.1016 -3.299408 8.592561 
1 1 1   10    3   20 o  355.974   4.9568  342.589   9.5346  341.096   13.432  344.104   13.537  355.194   6.9982  356.755   7.0218 -1.561890 9.913630 
1 1 1   10    3   21 o  296.983   4.4371  238.416   7.1205  240.714   10.097  236.142   10.043  298.408   6.2615  295.560   6.2884 2.847961 8.874179 
1 1 1   10    3   22 o  703.718   10.657  1339.70   38.064  1335.78   46.423  1347.75   66.493  702.485   12.229  704.950   17.455 -2.465576 21.31324 
1 1 1   10    3   23 o  104.063   5.8643   25.885   2.8242   23.155   3.1783   36.126   6.1563   92.554   6.3550  115.572   9.8578 -23.01756 11.72866 
1 1 1   10    3   24 o  1043.00   15.459  2940.53   81.529  2990.99  143.823  2916.65   98.966  1048.68   25.380  1037.33   17.656 11.34827 30.91742 
1 1 1   10    3   25 o  441.171   5.8621  523.945   13.934  555.159   20.691  498.039   18.850  453.138   8.4500  429.205   8.1273 23.93323 11.72420 
1 1 1   10    3   26 o  1223.27   14.653  4055.54   96.810  4132.58  139.523  3984.02  134.438  1234.43   20.917  1212.12   20.525 22.30786 29.30514 
1 1 1   10    3   27 o  977.039   14.473  2571.62   71.492  2632.88  126.377  2542.79   86.698  984.992   23.744  969.086   16.556 15.90619 28.94581 
1 1 1   10    3   28 o  534.797   6.8832  773.123   19.887  763.894   27.778  782.828   28.485  531.526   9.6713  538.067   9.7971 -6.541443 13.76649 
1 1 1   10    3   29 o  599.094   9.1639  982.659   28.561  1016.25   36.170  927.027   46.548  612.981   10.920  585.207   14.720 27.77380 18.32782 
1 1 1   10    3   30 o  551.624   7.0785  822.186   21.087  841.875   30.462  804.070   29.220  557.956   10.104  545.293   9.9167 12.66284 14.15705 
1 1 1   10    3   31 o  272.298   4.6834  199.516   6.8756  215.296   10.134  186.058   9.3589  282.229   6.6452  262.367   6.6013 19.86218 9.366727 
1 1 1   10    3   32 o  543.125   7.0245  796.427   20.590  823.859   30.046  772.137   28.273  551.920   10.074  534.329   9.7920 17.59058 14.04907 
1 1 1   10    3   33 o  177.411   4.9395   84.966   4.7293   91.263   6.8187   79.129   6.5650  183.738   6.8677  171.085   7.1012 12.65280 9.878922 
1 1 1   10    3   34 o  678.768   10.328  1252.49   36.046  1233.33   61.004  1262.76   44.679  674.494   16.738  683.043   12.105 -8.549438 20.65625 
1 1 1   10    3   35 o  339.322   7.2097  310.674   13.202  328.604   19.272  294.820   18.122  348.522   10.233  330.123   10.159 18.39853 14.41935 
1 1 1   10    3   36 o  289.976   6.8925  226.332   10.772  247.523   15.885  208.288   14.658  302.480   9.7186  277.472   9.7762 25.00851 13.78493 
1 1 1   10    3   38 o  356.272   5.4745  343.209   10.538  348.799   15.057  337.844   14.753  359.113   7.7594  353.430   7.7247 5.682892 10.94892 
1 1 1   10    3   39 o  534.203   7.0259  771.717   20.269  791.479   29.301  753.584   28.068  540.747   10.028  527.660   9.8439 13.08624 14.05190 
1 1 1   10    3   40 o  605.023   9.5033  998.942   29.534  1012.42   36.620  973.874   49.951  611.288   11.086  598.758   15.438 12.52991 19.00657 
1 1 1   10    3   41 o  671.290   12.097  1226.51   43.864  1242.12   63.119  1211.94   61.000  675.361   17.296  667.219   16.919 8.141968 24.19483 
1 1 1   10    3   42 o  626.297   11.408  1063.94   38.487  1115.09   57.197  1021.62   52.027  639.881   16.542  612.713   15.714 27.16772 22.81588 
1 1 1   10    3   43 o  578.931   7.4981  909.129   23.457  908.984   33.187  909.273   33.158  578.884   10.609  578.978   10.598 -0.9436035E-01 14.99623 
1 1 1   10    3   44 o  167.041   5.7577   75.601   5.1967   76.720   7.3509   74.484   7.3476  168.280   8.0839  165.803   8.2010 2.477188 11.51544 
1 1 1   10    3   45 o  239.777   5.0967  155.546   6.5997  161.137   9.5330  150.399   9.1459  243.908   7.2330  235.646   7.1825 8.262451 10.19335 
1 1 1   10    3   46 o  487.238   6.6082  644.180   17.387  657.975   25.141  631.534   24.071  492.205   9.4527  482.271   9.2368 9.934845 13.21631 
1 1 1   10    3   47 o  296.411   5.2060  238.206   8.3385  238.146   11.805  238.266   11.780  296.373   7.3714  296.450   7.3535 -0.7714844E-01 10.41210 
1 1 1   10    3   48 o  549.848   7.2450  823.025   21.526  820.667   30.402  825.396   30.484  549.058   10.247  550.638   10.245 -1.580505 14.49002 
1 1 1   10    3   49 o  333.150   5.4122  301.129   9.7380  309.879   14.058  293.058   13.502  337.787   7.7018  328.513   7.6060 9.274567 10.82448 
1 1 1   10    3   50 o  186.949   5.4539   94.972   5.5095   95.431   7.8111   94.518   7.7722  187.398   7.7137  186.500   7.7122 0.8977814 10.90771 
1 1 1   10    3   51 o  236.970   5.1698  152.480   6.6168  156.335   9.5394  148.906   9.1857  239.845   7.3604  234.095   7.2616 5.750107 10.33952 
1 1 1   10    3   52 o  100.128   8.0599   27.560   4.3587   26.951   6.2145   28.149   6.1150   99.007   11.616  101.249   11.177 -2.241875 16.11976 
1 1 1   10    3   53 o  322.035   5.3848  282.479   9.3686  284.638   13.402  280.417   13.102  323.218   7.6734  320.853   7.5566 2.365173 10.76955 
1 1 1   10    3   54 o  134.402   6.7746   49.087   4.8289   63.539   7.1955   37.245   6.5135  152.408   8.7371  116.397   10.356 36.01015 13.54919 
1 1 1   10    3   55 o  189.836   5.5795   98.516   5.7140   98.099   8.3135   98.890   7.8667  189.389   8.1234  190.282   7.6508 -0.8928680 11.15904 
1 1 1   10    3   56 o  186.667   5.6934   95.560   5.7343   91.775   8.2215   99.146   8.0020  182.980   8.3149  190.355   7.7794 -7.375656 11.38671 
1 1 1   10    3   57 o  289.261   5.3607  228.884   8.3758  232.693   12.053  225.328   11.647  291.552   7.6508  286.969   7.5110 4.583221 10.72149 
1 1 1   10    3   58 o  103.427   8.5266   30.034   4.7530   28.047   6.7886   31.946   6.6569   99.902   12.575  106.952   11.518 -7.050392 17.05322 
1 1 1   10    3   59 o  191.970   5.7385  101.380   5.9506  102.774   8.5518  100.071   8.2854  193.217   8.1908  190.724   8.0393 2.492874 11.47690 
1 1 1   10    3   60 o   32.720   10.661  -4.1815   4.4081  -6.3603   6.2761  -2.0603   6.1927   30.501   14.422   34.939   15.704 -4.438154 21.32139 
1 1 1   10    3   61 o   68.880   12.516   14.673   4.6844   14.199   6.7482   15.114   6.5078   67.658   18.103   70.103   17.288 -2.444977 25.03155 
1 1 1   10    3   62 o  104.682   9.0206   31.342   5.0888   31.329   7.4681   31.352   6.9527  104.443   13.233  104.921   12.263 -0.4781952 18.04129 
1 1 1   10    3   63 o   63.929   12.566   11.964   5.2172   22.405   7.6599   2.9289   7.1256   84.406   17.373   43.452   18.159 40.95408 25.13164 
1 1 1   10    3   64 o  165.244   11.108   81.010   9.1901  122.613   13.718   47.140   12.378  206.766   12.278  123.721   18.515 83.04511 22.21612 
1 1 1   10    3   65 o   60.023   15.960   10.039   7.8635   21.169   11.325  -0.3200   10.927   74.655   24.395   45.391   20.587 29.26383 31.92100 
1 1 1   10    3   66 o  111.550   12.811   40.762   7.1583   42.658   9.0853   37.658   11.624  118.939   14.136  104.160   21.369 14.77903 25.62160 
1 1 1   10    3   67 o   74.993   13.976   20.145   5.7327   20.707   8.4108   19.659   7.8344   75.544   20.209   74.443   19.311 1.101273 27.95219 
1 1 1   10    4    0 f  624.339   10.952  1053.81   36.950   0.0000   0.0000  1053.81   36.950  ?   ?   624.339   10.952      ?      ? 
1 1 1   10    4    1 o  682.882   8.4125  1260.28   31.033  1239.57   43.227  1282.29   44.578  677.102   11.815  688.663   11.979 -11.56152 16.82500 
1 1 1   10    4    2 o  854.704   10.357  1975.58   47.828  1994.27   68.322  1957.62   66.976  858.663   14.725  850.745   14.569 7.918091 20.71420 
1 1 1   10    4    3 o  491.833   6.3205  653.836   16.798  654.675   23.833  653.007   23.679  492.146   8.9617  491.520   8.9153 0.6264343 12.64099 
1 1 1   10    4    4 o  353.212   4.9255  337.167   9.4005  336.617   13.360  337.707   13.229  352.926   7.0056  353.498   6.9257 -0.5717468 9.851068 
1 1 1   10    4    5 o  422.765   5.6067  483.060   12.808  482.853   18.165  483.264   18.062  422.674   7.9532  422.855   7.9048 -0.1809692 11.21333 
1 1 1   10    4    9 o  1130.80   16.692  3461.80   95.666  3442.32  116.448  3502.25  167.786  1126.89   19.123  1134.71   27.364 -7.819214 33.38411 
1 1 1   10    4   12 o  671.737   11.828  1221.04   42.934   0.0000   0.0000  1221.04   42.934  ?   ?   671.737   11.828      ?      ? 
1 1 1   10    4   13 o  548.109   13.961  813.513   41.349   0.0000   0.0000  813.513   41.349  ?   ?   548.109   13.961      ?      ? 
1 1 1   10    4   14 o  528.966   13.561  757.658   38.762   0.0000   0.0000  757.658   38.762  ?   ?   528.966   13.561      ?      ? 
1 1 1   10    4   15 o  624.282   7.7531  1054.37   26.151  1043.31   36.625  1065.88   37.352  620.945   10.915  627.618   11.013 -6.673157 15.50615 
1 1 1   10    4   16 o  237.814   3.8879  152.867   4.9961  152.138   7.0745  153.592   7.0566  237.248   5.5183  238.380   5.4782 -1.131851 7.775723 
1 1 1   10    4   17 o  638.488   7.9170  1103.37   27.315  1099.68   38.533  1107.09   38.725  637.417   11.187  639.559   11.205 -2.141846 15.83401 
1 1 1   10    4   18 o  398.149   7.5822  428.665   16.313   0.0000   0.0000  428.665   16.313  ?   ?   398.149   7.5822      ?      ? 
1 1 1   10    4   19 o  210.799   3.8184  120.107   4.3494  119.518   6.1441  120.699   6.1579  210.280   5.4072  211.317   5.3928 -1.036926 7.636732 
1 1 1   10    4   20 o  606.982   7.5823  996.348   24.858  1015.97   35.808  978.097   34.537  612.739   10.815  601.226   10.631 11.51294 15.16457 
1 1 1   10    4   21 o  771.701   11.624  1608.47   45.367  1597.31   55.094  1631.98   79.960  768.024   13.275  775.378   19.084 -7.354919 23.24710 
1 1 1   10    4   22 o  575.705   8.9310  901.596   26.312  911.254   32.465  883.108   44.916  580.394   10.352  571.016   14.557 9.377991 17.86199 
1 1 1   10    4   23 o  528.705   8.4154  741.395   22.014  793.468   40.908  720.167   26.119  541.365   13.984  516.045   9.3664 25.31982 16.83086 
1 1 1   10    4   24 f  192.239   5.4120  103.965   5.0802   90.180   9.1389  110.130   6.1115  182.616   9.2612  201.862   5.6028 -19.24585 10.82407 
1 1 1   10    4   25 o  264.458   4.3566  189.021   6.2256  189.643   8.8429  188.411   8.7664  264.888   6.1780  264.027   6.1444 0.8609619 8.713285 
1 1 1   10    4   26 o  359.961   5.1214  350.224   9.9614  348.959   14.031  351.508   14.145  359.307   7.2264  360.616   7.2590 -1.309265 10.24279 
1 1 1   10    4   27 o  1482.72   21.765  5952.30  163.109  6072.07  288.102  5895.80  197.874  1491.76   35.740  1473.69   24.848 18.07263 43.52953 
1 1 1   10    4   28 f  772.043   11.616  1595.30   45.060  1664.86   80.967  1564.09   54.235  783.786   19.117  760.300   13.201 23.48608 23.23211 
1 1 1   10    4   29 f   94.883   6.5637   24.758   3.2624   26.247   4.2061   22.509   5.1687   98.535   7.8995   91.231   10.485 7.304108 13.12744 
1 1 1   10    4   30 o  303.342   5.6921  252.536   9.0198  264.909   11.540  233.108   14.461  313.061   6.8216  293.623   9.1140 19.43842 11.38413 
1 1 1   10    4   31 f  747.210   9.2195  1510.86   37.225  1507.06   52.492  1514.70   52.797  746.268   13.017  748.152   13.060 -1.884094 18.43898 
1 1 1   10    4   32 o  282.582   5.6248  215.602   8.2668  216.959   13.716  214.827   10.360  283.254   8.9613  281.909   6.8007 1.344910 11.24967 
1 1 1   10    4   33 o  1100.23   18.778  3298.13  111.636  3322.07  158.875  3274.77  156.899  1104.15   26.628  1096.31   26.485 7.838379 37.55674 
1 1 1   10    4   34 o  833.192   14.388  1884.55   64.773  1904.28   92.467  1865.54   90.763  837.456   20.433  828.928   20.263 8.527954 28.77693 
1 1 1   10    4   35 o  540.695   8.5699  793.036   23.779  796.723   29.382  786.036   40.481  542.682   10.019  538.709   13.906 3.972717 17.13973 
1 1 1   10    4   36 o  637.327   8.1082  1099.15   27.919  1113.57   39.950  1085.38   39.032  641.406   11.526  633.247   11.407 8.159424 16.21647 
1 1 1   10    4   37 o  735.876   9.1786  1466.34   36.491  1449.46   51.003  1484.04   52.230  731.549   12.902  740.202   13.058 -8.652832 18.35711 
1 1 1   10    4   38 o  503.737   6.7309  686.701   18.321  689.067   25.980  684.361   25.842  504.599   9.5280  502.874   9.5098 1.724731 13.46179 
1 1 1   10    4   39 o  814.079   10.036  1795.49   44.114  1841.87   63.965  1753.42   60.920  824.057   14.365  804.102   14.020 19.95532 20.07285 
1 1 1   10    4   40 o  522.819   6.9361  740.250   19.595  742.921   27.753  737.594   27.671  523.760   9.8059  521.878   9.8123 1.882080 13.87222 
1 1 1   10    4   41 o  118.487   11.325   38.010   7.2326   40.946   10.701   35.541   9.8136  122.673   16.143  114.302   15.889 8.371185 22.65030 
1 1 1   10    4   42 o  153.605   9.4759   63.412   7.8232   71.982   11.788   56.667   10.458  162.781   13.402  144.429   13.400 18.35147 18.95181 
1 1 1   10    4   43 o  655.483   10.338  1163.45   34.067  1188.29   60.792  1152.08   41.132  659.621   17.056  651.345   11.686 8.276062 20.67521 
1 1 1   10    4   44 o  431.206   6.0844  503.874   14.175  509.651   20.272  498.347   19.828  433.617   8.6518  428.796   8.5574 4.820648 12.16889 
1 1 1   10    4   45 o  411.222   5.9199  458.474   13.154  460.116   18.681  456.859   18.526  411.949   8.3920  410.495   8.3518 1.453796 11.83970 
1 1 1   10    4   46 o  208.748   5.2320  117.762   5.8912  127.757   8.5881  108.880   8.0965  217.095   7.3208  200.401   7.4766 16.69337 10.46395 
1 1 1   10    4   47 o  150.692   5.8246   61.607   4.7408   64.214   6.7595   59.084   6.6507  153.837   8.1314  147.547   8.3416 6.289673 11.64911 
1 1 1   10    4   48 o  150.626   5.9443   61.627   4.8370   63.513   6.8649   59.768   6.8164  152.923   8.3076  148.328   8.5044 4.595108 11.88868 
1 1 1   10    4   49 o  259.799   5.1035  183.194   7.1631  184.579   10.251  181.872   10.014  260.749   7.2751  258.849   7.1592 1.899841 10.20695 
1 1 1   10    4   50 o   52.748   12.166   7.3012   4.0549   9.6897   5.8681   5.1185   5.6097   58.525   17.329   46.971   17.080 11.55473 24.33157 
1 1 1   10    4   51 o   43.756   11.798   3.3035   4.0613  -0.0092   5.8708   6.3439   5.6243   37.741   16.157   49.771   17.198 -12.03056 23.59669 
1 1 1   10    4   52 o  174.139   5.7837   82.078   5.4212   92.508   8.0382   73.375   7.3425  184.235   8.0742  164.043   8.2833 20.19167 11.56741 
1 1 1   10    4   54 o   48.835   18.465   5.2659   6.6743   0.0000   0.0000   5.2659   6.6743  ?   ?    48.835   18.465      ?      ? 
1 1 1   10    4   55 o   54.687   12.529   7.7131   4.5082   12.730   6.5649   3.2356   6.2018   65.576   17.986   43.798   17.446 21.77821 25.05730 
1 1 1   10    4   56 o  189.409   5.7000   98.034   5.8249  105.858   8.4676   91.006   8.0254  196.593   7.9708  182.225   8.1503 14.36874 11.40001 
1 1 1   10    4   57 o  162.730   6.1087   72.483   5.3425   83.714   7.8040   62.577   7.3291  174.662   8.2686  150.798   8.9943 23.86465 12.21749 
1 1 1   10    4   58 o   83.617   10.628   20.695   4.5973   15.036   6.5370   26.233   6.4668   70.604   17.275   96.630   12.385 -26.02559 21.25621 
1 1 1   10    4   59 o  213.237   5.4724  124.965   6.3037  125.453   9.0346  124.502   8.7997  213.601   7.8274  212.873   7.6500 0.7280884 10.94486 
1 1 1   10    4   60 o  117.754   8.1116   38.990   5.1523   37.176   7.3790   40.715   7.1972  114.916   11.883  120.591   11.045 -5.675827 16.22329 
1 1 1   10    4   61 o   87.153   10.501   22.328   4.8316   24.104   6.9029   20.623   6.7649   91.439   13.970   82.866   15.682 8.573639 21.00232 
1 1 1   10    4   62 o  116.568   8.6498   39.028   5.3899   33.039   7.6654   44.884   7.5802  107.129   13.241  126.007   11.133 -18.87704 17.29955 
1 1 1   10    4   63 o   77.929   15.628   20.625   7.0746   15.126   9.8673   26.441   10.149   66.971   22.790   88.886   21.389 -21.91511 31.25519 
1 1 1   10    4   64 o  129.321   12.145   49.042   8.3120   37.725   10.838   65.203   12.952  111.016   18.067  147.626   16.236 -36.60980 24.29053 
1 1 1   10    4   65 o   46.001   14.273   3.0104   6.6087   3.4820   8.1785   2.1232   11.218   44.626   19.086   47.377   21.226 -2.751152 28.54548 
1 1 1   10    4   66 o   46.779   13.413   4.9764   5.4337   1.6383   7.9922   7.8456   7.4096   42.380   18.496   51.178   19.431 -8.798565 26.82612 
1 1 1   10    4   67 o   90.663   11.958   27.260   5.6333   28.316   8.2580   26.340   7.7043   92.002   17.244   89.324   16.572 2.678268 23.91622 
1 1 1   10    5    1 o  634.870   7.8929  1089.67   27.077  1094.04   38.477  1085.39   38.110  636.127   11.193  633.612   11.131 2.515503 15.78581 
1 1 1   10    5    2 o   89.767   4.6761   21.980   2.2471   19.265   3.2585   24.441   3.1028   84.431   7.1422   95.103   6.0378 -10.67167 9.352297 
1 1 1   10    5    3 o  126.986   5.8994   43.577   4.0482   43.577   4.0482   0.0000   0.0000  126.986   5.8994  ?   ?       ?      ? 
1 1 1   10    5    4 o  278.511   6.1939  209.624   9.3218  209.624   9.3218   0.0000   0.0000  278.511   6.1939  ?   ?       ?      ? 
1 1 1   10    5    5 f  1144.11   13.704  3543.01   84.685  3607.85  121.986  3482.70  117.657  1154.18   19.559  1134.04   19.200 20.14526 27.40813 
1 1 1   10    5    6 f   55.117   6.3910   8.4604   1.8320   7.1847   2.6702   9.5951   2.5182   50.654   10.109   59.580   7.8216 -8.926201 12.78192 
1 1 1   10    5    7 o  373.563   5.1782  376.979   10.448  384.912   15.044  369.587   14.522  377.355   7.3777  369.770   7.2680 7.585815 10.35639 
1 1 1   10    5    8 o  445.237   5.9198  534.849   14.222  556.349   20.799  515.967   19.492  453.620   8.4851  436.855   8.2570 16.76480 11.83958 
1 1 1   10    5    9 o  232.755   4.3923  147.653   5.0362  143.446   9.2115  149.447   6.0147  230.351   7.4004  235.160   4.7333 -4.809158 8.784618 
1 1 1   10    5   10 o  473.105   6.1515  604.994   15.726   0.0000   0.0000  604.994   15.726  ?   ?   473.105   6.1515      ?      ? 
1 1 1   10    5   11 o  671.427   8.3272  1218.97   30.212   0.0000   0.0000  1218.97   30.212  ?   ?   671.427   8.3272      ?      ? 
1 1 1   10    5   12 o  745.400   9.1286  1502.64   36.769   0.0000   0.0000  1502.64   36.769  ?   ?   745.400   9.1286      ?      ? 
1 1 1   10    5   13 o  269.658   8.7079  196.644   12.689  196.644   12.689   0.0000   0.0000  269.658   8.7079  ?   ?       ?      ? 
1 1 1   10    5   14 o  579.330   10.291  907.999   32.217   0.0000   0.0000  907.999   32.217  ?   ?   579.330   10.291      ?      ? 
1 1 1   10    5   16 o  411.429   7.7552  457.733   17.242   0.0000   0.0000  457.733   17.242  ?   ?   411.429   7.7552      ?      ? 
1 1 1   10    5   17 o  380.033   7.3518  390.524   15.097   0.0000   0.0000  390.524   15.097  ?   ?   380.033   7.3518      ?      ? 
1 1 1   10    5   18 o  539.627   6.8507  787.802   19.976  790.123   28.366  785.519   28.135  540.414   9.7138  538.841   9.6627 1.573181 13.70133 
1 1 1   10    5   19 f  246.336   4.0850  163.942   5.4363  159.645   7.5930  168.462   7.7868  243.025   5.7820  249.647   5.7722 -6.621582 8.170069 
1 1 1   10    5   20 o  565.595   14.463  866.667   44.203   0.0000   0.0000  866.667   44.203  ?   ?   565.595   14.463      ?      ? 
1 1 1   10    5   21 o  444.821   7.3064  533.383   16.372  530.060   19.811  540.541   29.075  442.746   8.2808  446.896   12.040 -4.150116 14.61274 
1 1 1   10    5   22 o  326.673   6.0261  292.471   9.9811  277.027   17.204  300.307   12.254  320.038   9.9481  333.308   6.8038 -13.27005 12.05226 
1 1 1   10    5   23 o  814.628   12.138  1818.71   51.232  1724.78   84.399  1873.52   64.469  797.413   19.587  831.844   14.342 -34.43024 24.27646 
1 1 1   10    5   24 o  601.588   7.5683  978.829   24.602  972.932   34.604  984.857   34.984  599.758   10.677  603.419   10.729 -3.660950 15.13662 
1 1 1   10    5   25 o  903.392   10.957  2209.22   53.481  2229.14   76.370  2190.05   74.918  907.378   15.576  899.406   15.415 7.971985 21.91399 
1 1 1   10    5   26 o  1288.73   15.410  4501.08  107.259  4587.40  154.702  4421.17  148.842  1300.57   22.013  1276.89   21.572 23.68567 30.82044 
1 1 1   10    5   27 o  756.015   9.3037  1545.74   37.996  1521.57   52.939  1571.42   54.567  749.931   13.064  762.099   13.251 -12.16864 18.60741 
1 1 1   10    5   28 f  308.162   5.6939  250.889   8.9745  274.549   15.740  239.492   10.924  318.658   9.1410  297.667   6.7916 20.99115 11.38789 
1 1 1   10    5   29 o  555.875   8.5945  842.019   24.752  814.189   41.005  857.974   31.047  548.490   13.835  563.261   10.201 -14.77106 17.18897 
1 1 1   10    5   30 o  625.278   11.011  1055.49   37.122  1104.28   54.745  1013.96   50.508  638.588   15.865  611.967   15.274 26.62061 22.02213 
1 1 1   10    5   31 o  442.301   8.2857  527.398   19.758  556.531   29.170  502.703   26.857  453.537   11.903  431.065   11.530 22.47269 16.57139 
1 1 1   10    5   32 o  175.538   6.0604   83.358   5.7462   85.248   8.0752   81.419   8.1784  177.557   8.4164  173.519   8.7224 4.038376 12.12085 
1 1 1   10    5   33 o  382.226   6.6315  398.335   13.188  407.376   16.648  383.108   21.606  388.152   7.9375  376.299   10.626 11.85327 13.26306 
1 1 1   10    5   34 o  565.231   7.3301  863.369   22.370  886.646   32.437  842.258   30.892  572.480   10.486  557.982   10.245 14.49756 14.66016 
1 1 1   10    5   35 f  303.522   5.1708  247.985   8.4616  267.062   12.477  231.738   11.514  314.281   7.3467  292.762   7.2783 21.51923 10.34159 
1 1 1   10    5   36 o  867.858   10.627  2041.23   49.834  2048.05   70.685  2034.49   70.269  869.295   15.048  866.421   15.009 2.874268 21.25320 
1 1 1   10    5   37 o  319.746   5.2896  275.703   9.1259  291.580   13.352  261.784   12.502  328.359   7.5253  311.133   7.4358 17.22552 10.57929 
1 1 1   10    5   38 o  511.024   6.8093  706.716   18.802  702.303   26.454  711.222   26.730  509.414   9.6102  512.635   9.6493 -3.221069 13.61854 
1 1 1   10    5   39 o  619.484   7.9172  1039.52   26.503  1037.67   37.454  1041.37   37.507  618.933   11.199  620.034   11.195 -1.101685 15.83436 
1 1 1   10    5   40 o  172.766   5.7367   80.849   5.3502   84.708   7.5462   76.949   7.5866  176.923   7.8933  168.610   8.3267 8.312546 11.47339 
1 1 1   10    5   41 o  228.098   8.1217  140.977   10.006  145.495   14.398  136.757   13.916  231.629   11.504  224.567   11.468 7.061203 16.24345 
1 1 1   10    5   42 o  563.902   10.620  865.409   32.358  867.342   45.988  863.513   45.537  564.510   15.076  563.294   14.960 1.215820 21.23902 
1 1 1   10    5   43 o  409.259   7.4951  441.366   14.950  485.135   28.664  425.009   17.522  422.427   12.557  396.091   8.1867 26.33594 14.99012 
1 1 1   10    5   44 o  162.739   5.7551   72.007   5.0430   66.025   7.2052   77.752   7.0606  156.066   8.5438  169.411   7.7128 -13.34486 11.51019 
1 1 1   10    5   45 o  234.911   5.0626  149.372   6.4236  154.413   9.2470  144.670   8.9299  238.737   7.1679  231.084   7.1514 7.653427 10.12527 
1 1 1   10    5   46 o  199.962   5.2689  108.406   5.6927  106.286   8.0148  110.563   8.0869  197.985   7.4916  201.938   7.4110 -3.952606 10.53787 
1 1 1   10    5   47 o  103.876   7.8054   29.438   4.3407   24.459   6.0371   34.767   6.2456   94.708   11.797  113.043   10.224 -18.33477 15.61083 
1 1 1   10    5   48 o  356.414   5.5469  344.529   10.676  333.837   14.785  356.179   15.433  350.652   7.8030  362.177   7.8858 -11.52472 11.09383 
1 1 1   10    5   49 o  216.507   5.2236  127.195   6.1061  120.025   8.5162  134.781   8.7595  210.217   7.4970  222.798   7.2758 -12.58125 10.44716 
1 1 1   10    5   50 o  131.005   6.4500   46.839   4.5555   43.293   6.4516   50.365   6.4334  126.008   9.4750  136.002   8.7540 -9.993561 12.89995 
1 1 1   10    5   51 o   64.173   11.906   11.920   4.1831   12.511   5.9096   11.326   5.9219   65.721   16.628   62.626   17.044 3.094955 23.81110 
1 1 1   10    5   52 o  278.960   5.2632  211.107   7.9173  223.453   11.666  200.562   10.780  286.469   7.5360  271.451   7.3494 15.01810 10.52639 
1 1 1   10    5   53 o   95.924   13.055   25.499   6.7667   25.499   6.7667   0.0000   0.0000   95.924   13.055  ?   ?       ?      ? 
1 1 1   10    5   54 o  270.864   5.2459  200.200   7.6764  198.473   10.945  201.871   10.770  269.682   7.5103  272.046   7.3262 -2.364288 10.49180 
1 1 1   10    5   55 o  134.895   6.6525   49.994   4.8474   50.434   6.9621   49.580   6.7532  135.445   9.5124  134.345   9.3025 1.100174 13.30499 
1 1 1   10    5   56 o  123.365   7.1578   42.007   4.7675   43.072   6.9149   41.042   6.5820  124.818   10.252  121.911   9.9914 2.907234 14.31564 
1 1 1   10    5   57 o  152.421   6.2460   63.022   5.0795   78.939   7.6501   50.473   6.7929  169.538   8.3505  135.305   9.2909 34.23305 12.49203 
1 1 1   10    5   58 o   53.019   12.656   7.7271   4.3792   10.290   6.3458   5.3971   6.0510   58.794   18.152   47.244   17.640 11.54987 25.31142 
1 1 1   10    5   59 f   44.306   12.350   3.7961   4.4171   1.8570   6.4344   5.5244   6.0745   41.271   17.253   47.340   17.675 -6.069000 24.69936 
1 1 1   10    5   60 o  222.457   5.5466  135.828   6.6571  146.659   9.6771  126.098   9.1723  230.899   7.7560  214.015   7.9314 16.88342 11.09330 
1 1 1   10    5   61 o  114.057   8.3990   37.146   5.1310   34.075   7.5490   39.784   6.9954  109.214   12.792  118.900   10.888 -9.686478 16.79790 
1 1 1   10    5   62 o  137.585   10.269   55.465   7.6324   54.054   10.642   56.959   10.952  135.799   14.503  139.371   14.542 -3.572388 20.53805 
1 1 1   10    5   63 o   89.571   14.802   26.869   7.1368   32.860   9.9405   20.495   10.253  101.886   18.746   77.256   22.913 24.63004 29.60458 
1 1 1   10    5   64 o  204.027   8.3257  119.881   8.5429  121.586   10.414  116.374   14.939  208.417   9.2466  199.636   13.848 8.780914 16.65133 
1 1 1   10    5   65 o   40.223   12.461   1.0286   5.2889  -2.2321   7.6028   4.0863   7.3622   36.518   16.791   43.929   18.416 -7.411251 24.92174 
1 1 1   10    5   66 o  174.032   7.0573   86.645   6.6339   88.430   9.5527   84.983   9.2197  175.681   10.063  172.383   9.8977 3.298065 14.11464 
1 1 1   10    6    1 o  471.918   6.1829  601.417   15.754  616.322   22.836  587.881   21.762  477.489   8.8506  466.347   8.6359 11.14160 12.36576 
1 1 1   10    6    3 f  723.692   8.9157  1416.67   34.864  1422.41   49.569  1411.05   49.046  725.141   12.650  722.243   12.567 2.897766 17.83141 
1 1 1   10    6    5 o  529.997   6.8061  759.540   19.492  754.176   27.436  765.007   27.696  528.108   9.6141  531.885   9.6365 -3.777405 13.61224 
1 1 1   10    6    6 o  771.917   13.390  1612.81   55.851   0.0000   0.0000  1612.81   55.851  ?   ?   771.917   13.390      ?      ? 
1 1 1   10    6    7 o  782.104   9.5820  1654.78   40.475  1622.90   56.168  1689.21   58.377  774.289   13.424  789.920   13.676 -15.63086 19.16401 
1 1 1   10    6    9 o  745.915   11.136  1515.41   42.733  1480.86   72.088  1534.13   53.061  739.004   18.052  752.826   13.043 -13.82233 22.27120 
1 1 1   10    6   10 o  566.208   8.2513  866.857   25.246   0.0000   0.0000  866.857   25.246  ?   ?   566.208   8.2513      ?      ? 
1 1 1   10    6   11 o  894.253   10.841  2163.61   52.386   0.0000   0.0000  2163.61   52.386  ?   ?   894.253   10.841      ?      ? 
1 1 1   10    6   12 o  518.714   6.6792  727.363   18.722   0.0000   0.0000  727.363   18.722  ?   ?   518.714   6.6792      ?      ? 
1 1 1   10    6   13 o  306.396   5.4114  251.602   7.4728  257.883   15.877  249.814   8.4696  308.769   9.5160  304.023   5.1555 4.746002 10.82277 
1 1 1   10    6   14 o  538.269   6.8564  783.592   19.940  773.434   27.899  794.197   28.508  534.707   9.6558  541.831   9.7369 -7.124146 13.71278 
1 1 1   10    6   15 o  615.912   7.7223  1026.61   25.701  1020.80   36.212  1032.52   36.482  614.155   10.912  617.670   10.930 -3.515320 15.44462 
1 1 1   10    6   16 o  399.617   7.6437  431.837   16.506   0.0000   0.0000  431.837   16.506  ?   ?   399.617   7.6437      ?      ? 
1 1 1   10    6   17 o  238.751   4.0956  153.721   5.2741  159.795   7.7471  148.475   7.2003  243.134   5.8967  234.367   5.6855 8.766464 8.191172 
1 1 1   10    6   18 o  529.283   6.7725  757.629   19.367  747.345   27.096  768.369   27.691  525.614   9.5402  532.951   9.6153 -7.336914 13.54509 
1 1 1   10    6   19 o  375.729   5.2250  381.595   10.607  374.670   14.861  388.785   15.144  372.255   7.3880  379.202   7.3904 -6.947296 10.44991 
1 1 1   10    6   20 o  529.961   8.3963  763.509   22.723  770.576   27.964  749.775   38.984  533.739   9.6959  526.184   13.711 7.555115 16.79269 
1 1 1   10    6   21 o  647.212   8.0645  1133.35   28.204  1134.97   40.008  1131.74   39.766  647.671   11.431  646.752   11.378 0.9184570 16.12906 
1 1 1   10    6   22 o  725.320   10.967  1435.52   40.867  1390.31   68.987  1459.95   50.725  716.170   17.826  734.471   12.781 -18.30035 21.93471 
1 1 1   10    6   23 o  384.743   5.3642  399.303   11.139  382.757   15.298  417.971   16.250  376.281   7.5238  393.206   7.6480 -16.92477 10.72842 
1 1 1   10    6   24 o  1092.41   13.147  3233.94   77.607  3216.02  109.259  3252.18  110.255  1089.36   18.561  1095.46   18.626 -6.095581 26.29478 
1 1 1   10    6   25 o  614.819   7.7363  1022.18   25.701  1014.36   36.102  1030.21   36.595  612.436   10.909  617.201   10.973 -4.764648 15.47262 
1 1 1   10    6   26 o  980.839   11.855  2604.83   62.829  2588.68   88.323  2621.38   89.392  977.767   16.717  983.911   16.813 -6.144043 23.70952 
1 1 1   10    6   27 o  1310.90   15.681  4660.81  111.046  4599.18  154.883  4725.99  159.296  1302.03   22.014  1319.77   22.337 -17.74854 31.36142 
1 1 1   10    6   28 o  955.839   14.075  2500.17   69.810  2391.89  114.879  2563.57   87.902  938.791   22.646  972.888   16.720 -34.09717 28.14950 
1 1 1   10    6   29 o  247.007   5.8862  163.572   7.8238  182.568   11.703  148.221   10.520  259.866   8.3340  234.149   8.3148 25.71675 11.77248 
1 1 1   10    6   30 o  307.492   6.5044  254.907   10.791  269.820   15.807  241.892   14.767  315.888   9.2602  299.096   9.1366 16.79138 13.00882 
1 1 1   10    6   31 f  495.042   12.819  663.288   34.292   0.0000   0.0000  663.288   34.292  ?   ?   495.042   12.819      ?      ? 
1 1 1   10    6   32 o  409.615   5.8151  453.663   12.871  457.381   18.304  450.027   18.102  411.275   8.2362  407.956   8.2114 3.318726 11.63020 
1 1 1   10    6   33 o  528.312   6.9512  754.736   19.840  765.779   28.439  744.267   27.690  532.072   9.8915  524.553   9.7691 7.519348 13.90240 
1 1 1   10    6   34 o  330.188   5.3132  294.583   9.4766  304.654   13.594  285.063   13.217  335.675   7.4947  324.701   7.5331 10.97366 10.62630 
1 1 1   10    6   35 o  210.071   5.1604  119.347   5.8546  124.304   8.2985  114.435   8.2609  214.418   7.1622  205.724   7.4311 8.693497 10.32084 
1 1 1   10    6   36 o  361.887   5.6149  354.127   10.979  358.718   15.611  349.633   15.445  364.209   7.9322  359.566   7.9491 4.642517 11.22973 
1 1 1   10    6   37 o  438.039   6.1724  518.717   14.603  531.984   21.060  506.429   20.267  443.425   8.7891  432.652   8.6688 10.77350 12.34488 
1 1 1   10    6   38 o  1308.37   15.760  4667.57  111.420  4671.83  157.768  4663.33  157.377  1308.95   22.305  1307.78   22.270 1.171997 31.51937 
1 1 1   10    6   39 o  318.335   5.3250  274.166   9.1597  273.752   12.995  274.574   12.913  318.095   7.5600  318.576   7.5013 -0.4806824 10.64998 
1 1 1   10    6   40 o  258.198   5.2087  180.279   7.2651  185.764   10.414  175.079   10.140  262.022   7.3554  254.374   7.3769 7.648697 10.41733 
1 1 1   10    6   41 o  706.970   12.752  1363.21   48.713  1350.00   68.417  1376.80   69.376  703.509   17.997  710.430   18.072 -6.921204 25.50454 
1 1 1   10    6   42 o  316.529   7.9906  271.833   13.665  277.477   19.551  266.441   19.107  319.738   11.316  313.319   11.285 6.419128 15.98127 
1 1 1   10    6   43 o  123.498   9.1834   37.290   5.6583   53.018   10.844   31.405   6.6329  139.477   14.388  107.519   11.417 31.95810 18.36679 
1 1 1   10    6   44 f  249.626   5.1446  168.779   6.9391  168.159   9.7547  169.414   9.8731  249.165   7.2450  250.087   7.3059 -0.9226074 10.28914 
1 1 1   10    6   45 o   89.199   8.7714   21.745   4.2115   19.572   5.9588   23.915   5.9530   84.693   13.020   93.704   11.757 -9.011314 17.54284 
1 1 1   10    6   46 o  488.052   6.6351  647.143   17.498  651.602   24.899  642.792   24.595  489.705   9.4092  486.399   9.3576 3.306732 13.27020 
1 1 1   10    6   47 o  427.972   6.1036  495.176   14.074  527.389   20.909  468.491   19.030  440.599   8.7820  415.345   8.4791 25.25397 12.20727 
1 1 1   10    6   48 o  499.772   6.7684  679.446   18.264  697.905   26.488  662.717   25.217  506.189   9.6838  493.355   9.4589 12.83466 13.53689 
1 1 1   10    6   49 o  353.811   5.5326  339.787   10.570  351.456   15.311  329.163   14.610  359.592   7.8796  348.030   7.7685 11.56232 11.06514 
1 1 1   10    6   50 o  102.393   7.8614   28.695   4.3492   28.110   6.1086   29.296   6.1937  101.331   11.156  103.456   11.079 -2.124931 15.72286 
1 1 1   10    6   51 o  199.448   5.3595  108.183   5.7738  112.367   8.2938  104.249   8.0427  203.192   7.5537  195.705   7.6052 7.486908 10.71906 
1 1 1   10    6   52 o  168.184   5.7004   77.107   5.1800   78.473   7.3939   75.790   7.2591  169.646   8.0657  166.723   8.0575 2.922974 11.40083 
1 1 1   10    6   53 o  141.247   6.3709   54.493   4.8396   62.124   7.0115   47.549   6.6884  150.752   8.6071  131.742   9.3954 19.01024 12.74186 
1 1 1   10    6   54 o  190.281   5.5350   98.909   5.6897   99.846   8.1557   98.020   7.9414  191.141   7.8963  189.422   7.7585 1.718506 11.07005 
1 1 1   10    6   55 o  240.581   5.2973  158.173   6.8861  157.231   9.7782  159.100   9.6992  239.851   7.5445  241.311   7.4383 -1.459793 10.59468 
1 1 1   10    6   56 o   92.676   9.0336   24.054   4.5231   23.580   6.4039   24.527   6.3893   91.726   12.920   93.625   12.629 -1.898300 18.06722 
1 1 1   10    6   57 o  204.696   5.4525  114.569   6.0230  121.655   8.7860  108.286   8.2728  210.649   7.7187  198.744   7.7032 11.90488 10.90491 
1 1 1   10    6   58 o  132.087   6.9763   48.470   4.9423   56.104   7.0877   41.245   6.8952  142.448   9.2079  121.726   10.483 20.72186 13.95256 
1 1 1   10    6   59 o   73.410   11.805   16.309   4.5881   18.381   6.5422   14.303   6.4361   78.353   15.993   68.466   17.369 9.886269 23.61072 
1 1 1   10    6   60 o   84.277   12.401   21.559   5.3872   22.164   8.4465   21.144   6.9945   84.534   18.958   84.021   15.990 0.5128174 24.80108 
1 1 1   10    6   61 o   54.825   14.033   6.8135   6.1037   14.759   8.4043  -2.0552   8.8792   67.972   20.874   41.678   18.762 26.29372 28.06630 
1 1 1   10    6   62 o  151.849   9.0961   66.829   7.4514   62.207   10.468   71.577   10.609  146.214   13.249  157.485   12.467 -11.27162 18.19219 
1 1 1   10    6   63 o   30.903   14.914  -9.7599   7.4811   0.0000   0.0000  -9.7599   7.4811  ?   ?    30.903   14.914      ?      ? 
1 1 1   10    6   64 o   33.112   11.085  -9.0489   5.4619  -1.5082   7.8147 -16.2505   7.6370   39.012   17.578   27.212   13.512 11.79965 22.17085 
1 1 1   10    6   65 o   84.105   12.573   23.479   5.5251   23.390   8.0915   23.557   7.5627   83.338   18.455   84.873   17.081 -1.535080 25.14657 
1 1 1   10    6   66 o   51.590   12.826   6.1912   5.3984   16.440   7.7079  -3.6763   7.5630   68.112   19.775   35.068   16.340 33.04391 25.65227 
1 1 1   10    7    1 o  606.829   10.806  996.083   35.435   0.0000   0.0000  996.083   35.435  ?   ?   606.829   10.806      ?      ? 
1 1 1   10    7    2 o  556.919   10.043  838.860   30.224   0.0000   0.0000  838.860   30.224  ?   ?   556.919   10.043      ?      ? 
1 1 1   10    7    3 o  1022.72   12.338  2834.98   68.185  2841.86   96.710  2828.17   96.147  1023.95   17.479  1021.49   17.419 2.456604 24.67618 
1 1 1   10    7    4 o  362.293   7.3228  354.835   14.336   0.0000   0.0000  354.835   14.336  ?   ?   362.293   7.3228      ?      ? 
1 1 1   10    7    6 o  1124.90   13.544  3432.30   82.323  3406.36  115.670  3458.92  117.188  1120.60   19.102  1129.19   19.206 -8.586426 27.08776 
1 1 1   10    7    8 o  887.723   10.795  2134.42   51.776  2157.42   74.056  2112.44   72.416  892.385   15.358  883.061   15.176 9.323975 21.59078 
1 1 1   10    7    9 o  344.326   5.9392  319.460   10.457  324.099   18.040  317.112   12.833  346.156   9.6444  342.495   6.9340 3.660919 11.87834 
1 1 1   10    7   10 o  370.976   6.0589  372.000   12.146   0.0000   0.0000  372.000   12.146  ?   ?   370.976   6.0589      ?      ? 
1 1 1   10    7   11 o  486.546   8.9364  640.234   23.495   0.0000   0.0000  640.234   23.495  ?   ?   486.546   8.9364      ?      ? 
1 1 1   10    7   12 o   51.492   10.398   7.4327   2.7934   0.0000   0.0000   7.4327   2.7934  ?   ?    51.492   10.398      ?      ? 
1 1 1   10    7   13 o  579.714   8.5206  909.154   22.942  911.036   46.409  908.545   26.392  579.819   14.812  579.609   8.4265 0.2103882 17.04127 
1 1 1   10    7   15 o  280.723   4.4860  213.025   6.8023  213.773   9.7629  212.319   9.4831  281.200   6.4250  280.246   6.2621 0.9536743 8.971931 
1 1 1   10    7   17 o  516.468   9.4020  721.529   26.239   0.0000   0.0000  721.529   26.239  ?   ?   516.468   9.4020      ?      ? 
1 1 1   10    7   19 o  617.945   9.5945  1030.20   29.977  1023.27   36.391  1044.82   52.870  614.966   10.951  620.925   15.757 -5.959717 19.18905 
1 1 1   10    7   20 o  789.614   9.6698  1687.94   41.258  1678.80   58.131  1697.21   58.568  787.464   13.661  791.765   13.689 -4.301636 19.33960 
1 1 1   10    7   21 o  639.162   9.9066  1097.40   31.748  1129.05   57.078  1083.22   38.203  645.548   16.362  632.775   11.173 12.77325 19.81315 
1 1 1   10    7   22 o   80.794   5.8239   17.011   2.4950   21.373   4.0208   14.280   3.1815   88.911   8.3689   72.677   8.1013 16.23480 11.64772 
1 1 1   10    7   23 o  756.478   9.3004  1548.50   38.017  1552.02   53.973  1545.03   53.558  757.330   13.189  755.627   13.117 1.702942 18.60090 
1 1 1   10    7   24 o  300.387   6.6089  243.878   10.727   0.0000   0.0000  243.878   10.727  ?   ?   300.387   6.6089      ?      ? 
1 1 1   10    7   25 o  756.035   11.484  1506.67   42.789  1646.85   80.426  1451.32   50.535  779.620   19.091  732.449   12.768 47.17108 22.96702 
1 1 1   10    7   26 o  800.540   13.788  1736.86   59.643  1723.20   83.787  1750.90   84.921  797.355   19.446  803.725   19.553 -6.369751 27.57693 
1 1 1   10    7   27 o  523.193   9.4324  738.494   26.612  707.658   36.247  774.549   39.196  511.395   13.117  534.992   13.558 -23.59689 18.86474 
1 1 1   10    7   28 f  532.049   9.5777  765.864   27.532  755.180   38.515  777.027   39.370  528.259   13.492  535.839   13.597 -7.579895 19.15537 
1 1 1   10    7   29 o  435.195   6.0120  510.918   14.119  491.345   19.353  533.185   20.642  426.308   8.4012  444.081   8.6021 -17.77313 12.02404 
1 1 1   10    7   30 o  203.475   5.3976  110.809   5.7564  116.441   9.4664  107.504   7.2511  207.523   8.4417  199.426   6.7287 8.096664 10.79528 
1 1 1   10    7   31 o  562.362   8.8347  845.390   25.070  826.979   30.272  885.586   44.729  552.913   10.132  571.811   14.476 -18.89807 17.66943 
1 1 1   10    7   32 o  542.415   8.5718  792.009   23.687  783.526   28.938  809.234   41.237  538.194   9.9504  546.636   13.960 -8.442200 17.14360 
1 1 1   10    7   33 o  923.565   11.262  2311.41   56.201  2330.63   80.185  2292.85   78.793  927.326   16.002  919.805   15.853 7.520569 22.52491 
1 1 1   10    7   34 o  165.700   5.6225   74.232   5.0337   73.365   7.0491   75.135   7.1903  164.713   7.9199  166.687   7.9828 -1.974167 11.24501 
1 1 1   10    7   35 o  345.714   5.5040  323.125   10.281  319.307   14.403  327.091   14.680  343.633   7.7565  347.794   7.8110 -4.161377 11.00792 
1 1 1   10    7   36 o  293.418   5.2906  232.231   8.3761  244.017   12.257  221.903   11.473  300.382   7.5512  286.453   7.4121 13.92947 10.58112 
1 1 1   10    7   37 o  602.005   7.7616  980.300   25.228  1005.14   36.574  957.755   34.845  609.256   11.109  594.754   10.842 14.50214 15.52322 
1 1 1   10    7   38 o  641.893   8.1753  1116.07   28.352  1102.39   39.678  1130.35   40.529  637.881   11.511  645.905   11.612 -8.024597 16.35065 
1 1 1   10    7   39 o  382.424   5.7442  395.797   11.870  392.531   16.725  399.112   16.849  380.834   8.1273  384.014   8.1198 -3.179871 11.48846 
1 1 1   10    7   40 o  732.371   9.1643  1451.91   36.189  1515.21   53.346  1397.95   49.255  747.049   13.215  717.693   12.701 29.35577 18.32870 
1 1 1   10    7   41 o  405.352   8.7903  446.047   19.252  452.703   27.489  439.640   26.970  408.315   12.459  402.389   12.404 5.925354 17.58051 
1 1 1   10    7   42 o  319.745   8.0669  277.488   13.934  286.261   19.958  269.144   19.463  324.678   11.376  314.812   11.441 9.865906 16.13388 
1 1 1   10    7   43 f  132.771   8.9349   46.319   5.7633   51.757   11.145   44.334   6.7334  137.717   14.977  127.825   9.7483 9.891205 17.86987 
1 1 1   10    7   44 o  225.224   5.1950  137.417   6.3219  139.709   9.0022  135.187   8.8802  227.077   7.3365  223.370   7.3571 3.706619 10.38997 
1 1 1   10    7   45 o  237.308   5.1291  152.610   6.5759  155.095   9.4164  150.245   9.1872  239.190   7.2854  235.427   7.2217 3.763138 10.25821 
1 1 1   10    7   46 o  400.867   5.8757  436.093   12.726  438.716   18.165  433.565   17.834  402.039   8.3614  399.694   8.2574 2.344727 11.75144 
1 1 1   10    7   47 o  422.509   6.0540  485.054   13.821  487.092   19.660  483.062   19.434  423.377   8.5936  421.640   8.5296 1.737305 12.10801 
1 1 1   10    7   48 o  133.957   6.4897   48.838   4.6962   47.206   6.5728   50.540   6.7122  131.665   9.2384  136.249   9.1168 -4.584503 12.97939 
1 1 1   10    7   49 o  631.842   8.1615  1092.50   27.855  1111.85   40.059  1074.39   38.759  637.188   11.634  626.495   11.449 10.69318 16.32291 
1 1 1   10    7   50 o  409.142   5.9781  455.817   13.213  463.121   18.951  448.908   18.433  412.310   8.5059  405.974   8.4024 6.335815 11.95621 
1 1 1   10    7   51 o  425.052   6.1251  492.978   14.067  486.276   19.710  499.936   20.082  422.118   8.6409  427.985   8.6834 -5.866577 12.25017 
1 1 1   10    7   52 f  242.312   5.2141  159.874   6.8258  155.396   9.5869  164.478   9.7208  238.858   7.4276  245.767   7.3197 -6.909637 10.42818 
1 1 1   10    7   53 o   55.979   12.407   8.8948   4.2003   7.6368   5.9932   10.109   5.8885   52.934   17.763   59.025   17.327 -6.091499 24.81408 
1 1 1   10    7   54 o   88.245   9.6464   22.278   4.4273   18.568   6.3322   25.825   6.1924   79.998   15.204   96.492   11.876 -16.49471 19.29278 
1 1 1   10    7   55 o  186.044   5.7000   94.078   5.7002  108.730   8.4557   81.874   7.7174  199.282   7.8523  172.805   8.2646 26.47612 11.40009 
1 1 1   10    7   56 o  179.312   5.7444   87.772   5.5509   93.803   8.2297   82.738   7.5187  184.900   8.2369  173.725   8.0093 11.17471 11.48886 
1 1 1   10    7   57 o  117.649   7.5138   38.553   4.7620   37.549   6.9562   39.439   6.5328  116.055   11.092  119.242   10.139 -3.187645 15.02761 
1 1 1   10    7   58 o  185.386   5.7808   94.364   5.7805   99.158   8.4926   90.226   7.8904  189.714   8.2842  181.059   8.0647 8.654419 11.56152 
1 1 1   10    7   59 o  202.724   6.5565  113.650   6.9904  114.842   11.273  112.906   8.9103  203.010   10.276  202.438   8.1454 0.5716705 13.11295 
1 1 1   10    7   60 o  168.605   8.1990   80.270   7.4677   78.446   10.406   82.207   10.723  166.656   11.555  170.553   11.635 -3.897171 16.39798 
1 1 1   10    7   61 o   79.593   14.835   20.584   6.4861   18.948   9.2013   22.200   9.1444   76.155   21.447   83.031   20.503 -6.876030 29.67049 
1 1 1   10    7   62 o  128.436   8.2591   47.319   5.6702   56.292   8.1784   39.014   7.8684  140.735   10.754  116.138   12.538 24.59721 16.51821 
1 1 1   10    7   63 o   91.148   12.133   25.818   5.7777   31.004   8.0612   20.339   8.2854  102.810   14.510   79.486   19.449 23.32307 24.26542 
1 1 1   10    7   64 o   40.530   12.464  -0.0765   5.4056   5.5409   7.5817  -5.8847   7.7093   47.232   19.123   33.828   15.992 13.40407 24.92880 
1 1 1   10    7   65 o   44.652   12.818   2.5357   5.3631  -4.6383   7.6175   9.5871   7.5521   34.743   16.258   54.561   19.821 -19.81756 25.63541 
1 1 1   10    7   66 o   50.981   13.740   8.5187   5.2574   7.9561   7.7033   9.0092   7.1931   50.113   19.604   51.849   19.258 -1.736801 27.48032 
1 1 1   10    8    0 o  153.170   6.0991   63.413   5.0481   0.0000   0.0000   63.413   5.0481  ?   ?   153.170   6.0991      ?      ? 
1 1 1   10    8    2 o  331.694   5.0016  297.322   8.9631  290.775   12.547  304.144   12.808  327.966   7.0800  335.421   7.0666 -7.455017 10.00314 
1 1 1   10    8    3 o  554.565   7.1238  831.837   21.347  826.664   30.065  837.097   30.316  552.827   10.064  556.303   10.085 -3.476379 14.24765 
1 1 1   10    8    4 o  454.730   6.1264  558.302   15.039  540.779   20.711  577.845   21.872  447.198   8.5707  462.261   8.7563 -15.06342 12.25273 
1 1 1   10    8    5 o  247.885   4.4800  166.027   5.9991  168.791   8.6140  163.424   8.3597  249.887   6.3793  245.884   6.2918 4.003464 8.960019 
1 1 1   10    8    6 f  667.553   8.3561  1205.98   30.142  1208.17   42.742  1203.81   42.514  668.155   11.838  666.951   11.796 1.203430 16.71229 
1 1 1   10    8    8 o  238.751   4.4427  154.091   5.7308  150.633   8.0895  157.576   8.1198  236.060   6.3418  241.441   6.2236 -5.381226 8.885469 
1 1 1   10    8    9 o  334.037   6.8967  301.653   12.449   0.0000   0.0000  301.653   12.449  ?   ?   334.037   6.8967      ?      ? 
1 1 1   10    8   10 o  313.868   7.0877  266.339   12.021   0.0000   0.0000  266.339   12.021  ?   ?   313.868   7.0877      ?      ? 
1 1 1   10    8   11 o  250.500   4.4862  169.587   6.0727   0.0000   0.0000  169.587   6.0727  ?   ?   250.500   4.4862      ?      ? 
1 1 1   10    8   12 o  642.323   11.345  1116.77   39.378   0.0000   0.0000  1116.77   39.378  ?   ?   642.323   11.345      ?      ? 
1 1 1   10    8   13 o  540.878   8.1137  779.809   19.995  814.640   42.018  769.613   22.734  548.289   14.182  533.467   7.8863 14.82141 16.22737 
1 1 1   10    8   14 o  274.292   4.5496  203.438   6.7420  200.089   9.5748  206.730   9.4950  272.051   6.5132  276.533   6.3542 -4.482086 9.099269 
1 1 1   10    8   16 f  822.391   10.083  1831.80   44.801  1809.51   62.706  1855.03   64.031  817.292   14.199  827.489   14.320 -10.19727 20.16583 
1 1 1   10    8   17 o  740.765   12.923  1485.75   51.727   0.0000   0.0000  1485.75   51.727  ?   ?   740.765   12.923      ?      ? 
1 1 1   10    8   18 o  766.441   11.613  1592.52   45.365  1593.29   55.601  1590.99   78.459  767.119   13.413  765.764   18.961 1.354370 23.22565 
1 1 1   10    8   19 o  410.197   7.0838  449.191   14.510  439.966   17.369  470.496   26.396  403.398   7.9681  416.995   11.715 -13.59720 14.16759 
1 1 1   10    8   20 o  379.869   6.7336  391.188   12.880  387.613   22.764  392.871   15.621  378.524   11.129  381.213   7.5834 -2.688873 13.46724 
1 1 1   10    8   21 o  818.745   10.052  1800.73   44.187  1933.56   67.214  1699.64   58.639  845.071   14.719  792.418   13.694 52.65308 20.10439 
1 1 1   10    8   22 o  750.080   12.987  1523.33   52.599  1555.63   76.195  1493.92   72.701  757.641   18.611  742.520   18.119 15.12097 25.97482 
1 1 1   10    8   23 o  257.617   5.9988  179.347   8.3285  162.095   11.614  197.613   11.950  244.862   8.7773  270.372   8.1793 -25.51021 11.99760 
1 1 1   10    8   24 o  805.822   13.881  1758.30   60.411  1720.49   83.745  1799.32   87.231  796.820   19.449  814.824   19.812 -18.00482 27.76294 
1 1 1   10    8   25 o  525.281   9.4748  746.593   26.893  739.865   37.952  753.378   38.114  522.902   13.431  527.659   13.367 -4.757507 18.94964 
1 1 1   10    8   26 o  817.776   12.244  1802.47   50.849  1785.13   61.945  1838.29   89.036  812.135   14.115  823.418   20.010 -11.28278 24.48787 
1 1 1   10    8   27 o  679.970   8.4978  1249.72   31.205  1220.99   43.222  1280.99   45.098  671.824   11.906  688.116   12.129 -16.29205 16.99556 
1 1 1   10    8   28 f  442.787   6.0659  530.062   14.513  531.428   20.639  528.725   20.412  443.350   8.6148  442.224   8.5420 1.126587 12.13177 
1 1 1   10    8   29 f  561.258   7.2466  851.806   21.973  861.219   31.454  842.834   30.709  564.282   10.316  558.234   10.180 6.047668 14.49312 
1 1 1   10    8   30 o   65.093   11.309   11.287   3.8743   15.171   6.3867   9.0263   4.8733   73.375   16.507   56.811   15.461 16.56453 22.61739 
1 1 1   10    8   31 o  940.610   13.866  2431.20   68.005  2283.78  110.048  2522.27   86.498  916.637   22.218  964.583   16.595 -47.94623 27.73110 
1 1 1   10    8   32 o  135.712   7.0056   51.428   4.9741   61.158   6.7204   39.640   7.3972  150.390   8.2696  121.033   11.310 29.35733 14.01113 
1 1 1   10    8   33 o  532.248   8.4590  767.864   23.208  770.218   28.811  763.513   39.166  533.565   9.9926  530.930   13.652 2.634827 16.91793 
1 1 1   10    8   34 o  328.632   5.4378  291.639   9.6488  301.772   13.991  282.449   13.324  334.066   7.7505  323.198   7.6293 10.86792 10.87556 
1 1 1   10    8   35 o  378.580   5.7562  387.357   11.769  395.784   16.982  379.568   16.326  382.535   8.2154  374.624   8.0650 7.911102 11.51245 
1 1 1   10    8   36 o  436.032   6.1864  514.401   14.575  514.186   20.764  514.609   20.463  435.938   8.8146  436.126   8.6829 -0.1886902 12.37290 
1 1 1   10    8   37 f  586.544   7.6262  930.734   24.154  954.092   34.953  909.383   33.418  593.568   10.898  579.521   10.671 14.04694 15.25236 
1 1 1   10    8   38 o   88.716   10.181   22.128   4.5482   32.128   6.6407   13.293   6.2419  108.876   11.287   68.557   16.946 40.31926 20.36105 
1 1 1   10    8   39 o  417.042   6.0357  470.603   13.596  478.850   19.566  462.902   18.907  420.567   8.6094  413.518   8.4616 7.048645 12.07143 
1 1 1   10    8   40 o  436.694   7.7874  518.890   17.161  522.109   20.867  512.162   30.166  439.082   8.7949  434.306   12.854 4.776398 15.57475 
1 1 1   10    8   41 o  202.756   8.6430  110.930   9.4243   96.982   12.806  127.410   13.920  188.916   12.544  216.596   11.893 -27.68016 17.28603 
1 1 1   10    8   42 o  212.355   8.5908  121.442   9.8038  105.946   13.205  140.473   14.634  197.378   12.381  227.331   11.913 -29.95244 17.18156 
1 1 1   10    8   43 o  285.060   6.7439  221.306   9.5354  218.514   17.296  222.525   11.429  283.512   11.290  286.608   7.3797 -3.095154 13.48782 
1 1 1   10    8   44 o  274.234   5.1565  203.843   7.6406  201.677   10.831  205.990   10.780  272.776   7.3481  275.691   7.2362 -2.914795 10.31293 
1 1 1   10    8   45 o  356.475   5.5850  344.705   10.758  345.281   15.217  344.130   15.212  356.774   7.8929  356.177   7.9038 0.5971375 11.16994 
1 1 1   10    8   46 o  402.001   5.9230  438.819   12.866  439.854   18.232  437.791   18.160  402.472   8.3830  401.530   8.3697 0.9420471 11.84594 
1 1 1   10    8   47 o  369.030   5.6864  369.966   11.339  373.478   16.138  366.542   15.935  370.756   8.0551  367.304   8.0284 3.452026 11.37279 
1 1 1   10    8   48 f  401.115   5.9437  437.653   12.883  439.156   18.274  436.168   18.164  401.795   8.4166  400.434   8.3946 1.361938 11.88736 
1 1 1   10    8   49 o  388.959   5.8503  411.124   12.285  425.377   17.844  398.280   16.939  395.332   8.3530  382.586   8.1935 12.74582 11.70063 
1 1 1   10    8   50 o  160.157   5.8562   69.909   5.0673   68.326   7.1533   71.504   7.1794  158.324   8.3613  161.991   8.2018 -3.666748 11.71240 
1 1 1   10    8   51 o  209.904   5.3556  120.000   6.0742  120.027   8.6401  119.974   8.5412  209.918   7.6170  209.891   7.5307 0.2737427E-01 10.71121 
1 1 1   10    8   52 o   70.673   10.969   14.819   4.2130   9.0477   6.1677   19.867   5.7684   56.639   17.957   84.707   12.602 -28.06781 21.93812 
1 1 1   10    8   53 o   53.567   10.824   6.0810   4.2298   16.093   6.0707  -3.3655   5.8967   74.272   15.621   32.861   14.988 41.41190 21.64878 
1 1 1   10    8   54 o   89.463   9.7859   22.867   4.3961   33.156   6.5048   14.216   5.9645  109.469   10.996   69.457   16.190 40.01173 19.57172 
1 1 1   10    8   55 o  179.051   5.7442   87.905   5.5538   87.495   7.9940   88.289   7.7216  178.595   8.2834  179.507   7.9604 -0.9119720 11.48838 
1 1 1   10    8   56 o  120.445   7.3854   40.141   4.7892   45.101   6.9388   35.629   6.6183  127.646   10.060  113.243   10.816 14.40312 14.77078 
1 1 1   10    8   57 o   94.831   9.5163   25.527   4.6461   33.538   6.9209   18.954   6.2687  109.406   11.707   80.257   15.006 29.14837 19.03250 
1 1 1   10    8   58 o  133.750   8.9565   50.801   6.4495   47.072   9.2527   54.324   8.9948  128.643   13.310  138.857   11.988 -10.21388 17.91294 
1 1 1   10    8   59 o  283.489   7.3347  224.268   11.236  224.414   15.877  224.122   15.902  283.592   10.361  283.386   10.385 0.2057495 14.66943 
1 1 1   10    8   60 o  132.884   8.3829   50.527   5.8734   52.495   7.6260   47.658   9.2087  136.855   10.312  128.912   13.220 7.942780 16.76589 
1 1 1   10    8   61 o   60.239   13.559   11.466   4.9705   12.038   7.0919   10.913   6.9683   61.521   19.222   58.956   19.129 2.565269 27.11829 
1 1 1   10    8   62 o  179.123   6.6704   89.972   6.4550   90.046   9.2261   89.902   9.0344  179.126   9.5317  179.120   9.3340 0.6393433E-02 13.34084 
1 1 1   10    8   63 o  102.888   10.914   32.108   5.7917   38.530   8.1453   25.541   8.2370  115.303   13.073   90.474   17.481 24.82960 21.82874 
1 1 1   10    8   64 o  142.690   7.8440   59.517   6.0417   61.551   8.7929   57.698   8.3156  144.856   11.233  140.524   10.951 4.332184 15.68792 
1 1 1   10    8   65 o   43.214   12.947   2.9463   5.3273   0.1945   7.9495   5.1895   7.1774   40.384   17.997   46.043   18.619 -5.659599 25.89486 
1 1 1   10    9    0 o  334.726   5.1231  302.876   9.2647  304.411   13.241  301.404   12.968  335.555   7.3023  333.897   7.1875 1.657898 10.24615 
1 1 1   10    9    3 o  858.586   10.500  1994.89   48.676  1947.03   67.201  2047.73   70.602  847.790   14.669  869.381   15.029 -21.59094 21.00078 
1 1 1   10    9    7 o  634.288   8.0336  1088.68   27.532  1097.74   39.305  1079.95   38.576  636.872   11.421  631.703   11.301 5.168518 16.06723 
1 1 1   10    9    9 o   80.754   6.9415   17.631   3.0291   0.0000   0.0000   17.631   3.0291  ?   ?    80.754   6.9415      ?      ? 
1 1 1   10    9   10 o  892.633   10.891  2156.52   52.532   0.0000   0.0000  2156.52   52.532  ?   ?   892.633   10.891      ?      ? 
1 1 1   10    9   11 o  272.051   6.3435  200.085   9.3253   0.0000   0.0000  200.085   9.3253  ?   ?   272.051   6.3435      ?      ? 
1 1 1   10    9   12 o  479.457   6.4061  621.458   16.597   0.0000   0.0000  621.458   16.597  ?   ?   479.457   6.4061      ?      ? 
1 1 1   10    9   13 o  600.797   7.6851  976.028   24.950   0.0000   0.0000  976.028   24.950  ?   ?   600.797   7.6851      ?      ? 
1 1 1   10    9   14 o  428.821   11.828  497.748   27.407  497.748   27.407   0.0000   0.0000  428.821   11.828  ?   ?       ?      ? 
1 1 1   10    9   15 o  225.360   6.1693  137.285   7.5128   0.0000   0.0000  137.285   7.5128  ?   ?   225.360   6.1693      ?      ? 
1 1 1   10    9   17 o  808.763   14.093  1756.79   61.116  1918.47   93.718  1637.16   80.616  840.681   20.630  776.846   19.204 63.83447 28.18521 
1 1 1   10    9   18 o  1152.78   27.799  3619.37  173.164  3619.37  173.164   0.0000   0.0000  1152.78   27.799  ?   ?       ?      ? 
1 1 1   10    9   19 o  360.545   10.054  351.577   19.588   0.0000   0.0000  351.577   19.588  ?   ?   360.545   10.054      ?      ? 
1 1 1   10    9   20 o  680.444   16.794  1254.28   61.750   0.0000   0.0000  1254.28   61.750  ?   ?   680.444   16.794      ?      ? 
1 1 1   10    9   21 o  598.667   10.652  970.124   34.457  957.432   48.454  983.108   49.010  594.705   15.078  602.629   15.050 -7.923523 21.30381 
1 1 1   10    9   22 o  1002.84   24.162  2729.73  130.937   0.0000   0.0000  2729.73  130.937  ?   ?   1002.84   24.162      ?      ? 
1 1 1   10    9   23 o  862.112   10.521  2011.38   49.009  1994.93   68.810  2028.31   69.820  858.541   14.832  865.684   14.926 -7.142883 21.04190 
1 1 1   10    9   24 o  450.370   6.1292  548.070   14.912  535.439   20.791  561.452   21.400  445.030   8.6456  455.710   8.6905 -10.68069 12.25848 
1 1 1   10    9   25 o  631.573   7.9809  1078.15   27.225  1054.76   37.805  1103.35   39.239  624.467   11.203  638.680   11.369 -14.21350 15.96182 
1 1 1   10    9   26 o  827.336   10.143  1852.15   45.334  1826.45   63.308  1879.19   64.947  821.456   14.262  833.217   14.425 -11.76025 20.28516 
1 1 1   10    9   27 o  754.539   9.3432  1540.66   38.095  1535.24   53.790  1546.11   53.958  753.208   13.216  755.870   13.211 -2.661987 18.68635 
1 1 1   10    9   28 o  479.078   9.0877  620.625   23.526   0.0000   0.0000  620.625   23.526  ?   ?   479.078   9.0877      ?      ? 
1 1 1   10    9   29 o  1134.34   13.692  3490.38   83.909  3444.30  117.183  3538.86  120.203  1126.69   19.247  1141.99   19.479 -15.30347 27.38415 
1 1 1   10    9   30 o  462.988   6.3781  579.629   15.955  570.751   22.394  588.783   22.739  459.387   9.0210  466.588   9.0189 -7.200623 12.75613 
1 1 1   10    9   31 o  567.878   8.8950  884.190   26.349  827.928   42.571  919.127   33.547  552.895   14.249  582.862   10.651 -29.96649 17.78996 
1 1 1   10    9   32 o  400.741   7.1128  418.042   14.163  476.126   26.473  394.750   16.763  419.411   11.681  382.070   8.1195 37.34158 14.22551 
1 1 1   10    9   33 o  411.871   7.0748  460.931   15.225  466.858   19.285  451.126   24.805  415.474   8.5899  408.267   11.244 7.206970 14.14956 
1 1 1   10    9   34 o  374.661   5.7899  379.632   11.722  380.144   16.637  379.128   16.517  374.910   8.2123  374.411   8.1639 0.4991760 11.57980 
1 1 1   10    9   35 o  342.735   7.8242  317.726   14.491   0.0000   0.0000  317.726   14.491  ?   ?   342.735   7.8242      ?      ? 
1 1 1   10    9   36 o  245.985   5.3148  163.454   7.0546  167.282   10.299  160.069   9.6833  248.690   7.6635  243.280   7.3660 5.410675 10.62956 
1 1 1   10    9   37 o  511.348   6.9098  707.802   19.088  718.084   27.386  698.088   26.618  514.950   9.8419  507.746   9.7015 7.203949 13.81960 
1 1 1   10    9   38 o  550.224   7.2715  819.910   21.612  833.079   31.067  807.561   30.085  554.491   10.369  545.958   10.198 8.533081 14.54300 
1 1 1   10    9   39 o  532.862   7.1130  769.365   20.480  774.631   29.149  764.231   28.780  534.658   10.089  531.067   10.029 3.591614 14.22599 
1 1 1   10    9   40 o  379.962   8.6673  391.866   17.787  385.360   24.701  398.874   25.635  376.708   12.134  383.216   12.379 -6.508636 17.33460 
1 1 1   10    9   41 o  219.952   8.8029  131.775   10.436  142.432   14.746  121.081   14.771  228.936   11.920  210.969   12.957 17.96667 17.60570 
1 1 1   10    9   42 o  205.234   8.7491  114.392   9.6934  120.991   14.052  108.401   13.389  210.875   12.332  199.592   12.414 11.28230 17.49822 
1 1 1   10    9   43 o   34.847   10.920  -2.0920   4.1104  -3.5383   5.8230  -0.6556   5.8029   32.892   14.961   36.801   15.912 -3.908344 21.84052 
1 1 1   10    9   44 o  602.908   7.8276  989.668   25.499  999.524   36.395  980.167   35.736  605.836   11.117  599.981   11.022 5.855042 15.65525 
1 1 1   10    9   45 o  137.638   6.5917   51.210   4.8812   58.463   7.1697   44.943   6.6641  146.697   9.0446  128.578   9.5915 18.11884 13.18339 
1 1 1   10    9   46 f  340.859   5.5132  315.139   10.146  322.535   14.720  308.445   14.003  344.643   7.9040  337.076   7.6881 7.566528 11.02633 
1 1 1   10    9   47 o  220.817   5.2980  131.837   6.3074  142.877   9.2868  122.384   8.5935  229.359   7.4931  212.275   7.4918 17.08467 10.59591 
1 1 1   10    9   48 o  242.815   5.2744  160.197   6.9203  158.585   9.7813  161.812   9.7922  241.585   7.4927  244.044   7.4255 -2.458603 10.54884 
1 1 1   10    9   49 o  223.738   5.3308  135.878   6.4382  144.208   9.3344  128.319   8.8919  230.273   7.5016  217.203   7.5760 13.07051 10.66159 
1 1 1   10    9   50 o   50.703   12.367   6.4077   4.1913   8.9341   6.0900   4.1341   5.7773   56.469   17.837   44.937   17.134 11.53209 24.73373 
1 1 1   10    9   51 o  274.791   5.2778  205.431   7.8319  213.749   11.318  197.789   10.849  280.117   7.4774  269.465   7.4506 10.65256 10.55566 
1 1 1   10    9   52 o  159.986   6.0359   70.201   5.2030   64.900   7.4197   75.330   7.2981  153.938   8.9197  166.035   8.1343 -12.09703 12.07184 
1 1 1   10    9   53 o   63.849   12.313   12.010   4.4551   8.8986   6.3140   15.095   6.2868   56.110   18.209   71.588   16.578 -15.47746 24.62543 
1 1 1   10    9   54 o  408.823   6.1193  458.709   13.516  447.753   18.909  470.152   19.326  403.826   8.6654  413.821   8.6426 -9.994873 12.23860 
1 1 1   10    9   55 o   68.853   12.323   13.820   4.6970   19.379   7.0285   9.3340   6.3140   80.899   16.634   56.808   18.186 24.09073 24.64558 
1 1 1   10    9   56 o  198.925   6.7198  108.832   6.9606  111.554   11.548  107.278   8.7233  200.279   10.670  197.571   8.1709 2.707962 13.43960 
1 1 1   10    9   57 o  206.590   7.3185  118.550   8.1568  123.716   11.958  114.054   11.155  210.699   10.502  202.482   10.195 8.216949 14.63710 
1 1 1   10    9   58 o   94.200   12.047   26.173   5.9482   32.365   8.8017   20.968   8.0699  105.784   15.398   82.617   18.533 23.16681 24.09476 
1 1 1   10    9   59 o  262.381   5.5784  189.744   7.9063  195.889   11.360  183.973   11.010  266.498   7.8888  258.264   7.8894 8.233246 11.15687 
1 1 1   10    9   60 o   54.757   13.520   8.7523   4.9413   7.6979   7.0613   9.7641   6.9171   52.615   19.158   56.898   19.083 -4.283077 27.04055 
1 1 1   10    9   61 o  107.037   9.2193   33.310   5.3292   34.853   7.6028   31.820   7.4721  109.588   12.839  104.485   13.234 5.102119 18.43854 
1 1 1   10    9   62 o   48.152   19.546   4.7985   7.9426   4.7985   7.9426   0.0000   0.0000   48.152   19.546  ?   ?       ?      ? 
1 1 1   10    9   63 o  172.556   7.0662   84.336   6.5629   88.719   9.8091   80.785   8.8305  176.332   10.295  168.781   9.6822 7.551224 14.13235 
1 1 1   10    9   64 o  167.834   7.1291   81.119   6.4242   75.550   9.3937   86.013   8.8052  161.740   10.748  173.928   9.3687 -12.18825 14.25813 
1 1 1   10    9   65 o   59.840   13.668   11.637   5.4219   19.662   8.2083   5.4254   7.2215   74.012   20.034   45.668   18.600 28.34382 27.33690 
1 1 1   10   10    0 o  207.532   5.4095  116.828   5.8841  118.011   7.4824  114.910   9.5252  208.934   6.6274  206.131   8.5515 2.802536 10.81901 
1 1 1   10   10    1 o  287.058   9.1756  222.883   14.233   0.0000   0.0000  222.883   14.233  ?   ?   287.058   9.1756      ?      ? 
1 1 1   10   10    2 o  379.471   10.642  389.640   21.822   0.0000   0.0000  389.640   21.822  ?   ?   379.471   10.642      ?      ? 
1 1 1   10   10    3 o  426.132   8.4423  491.089   19.440  491.089   19.440   0.0000   0.0000  426.132   8.4423  ?   ?       ?      ? 
1 1 1   10   10    4 o  225.250   4.7374  137.164   5.7658  134.815   8.1313  139.540   8.1771  223.309   6.7385  227.190   6.6607 -3.881134 9.474858 
1 1 1   10   10    6 o  537.841   7.0811  781.528   20.560  757.372   28.325  808.428   29.890  529.078   9.9075  546.604   10.120 -17.52582 14.16216 
1 1 1   10   10    7 o  491.557   7.8987  658.609   20.166  671.123   25.376  637.162   33.222  498.068   9.4287  485.047   12.675 13.02075 15.79733 
1 1 1   10   10    8 o  172.189   5.1599   81.925   4.6532   72.117   7.2972   88.646   6.0406  163.294   8.2698  181.083   6.1733 -17.78885 10.31982 
1 1 1   10   10    9 o  808.547   14.037  1771.35   61.327   0.0000   0.0000  1771.35   61.327  ?   ?   808.547   14.037      ?      ? 
1 1 1   10   10   10 o   85.078   7.7916   19.573   3.5821   0.0000   0.0000   19.573   3.5821  ?   ?    85.078   7.7916      ?      ? 
1 1 1   10   10   11 o  332.513   7.0309  298.925   12.633   0.0000   0.0000  298.925   12.633  ?   ?   332.513   7.0309      ?      ? 
1 1 1   10   10   13 f  393.028   7.7542  417.678   16.468   0.0000   0.0000  417.678   16.468  ?   ?   393.028   7.7542      ?      ? 
1 1 1   10   10   15 o  643.191   11.446  1119.34   39.743  1084.69   54.773  1157.88   57.756  632.710   16.020  653.672   16.351 -20.96149 22.89149 
1 1 1   10   10   16 o  356.679   10.743  344.144   20.706  344.144   20.706   0.0000   0.0000  356.679   10.743  ?   ?       ?      ? 
1 1 1   10   10   17 o  794.604   19.573  1712.61   84.044  1712.61   84.044   0.0000   0.0000  794.604   19.573  ?   ?       ?      ? 
1 1 1   10   10   18 o  775.299   13.523  1629.37   56.633  1645.05   81.368  1614.64   78.873  778.885   19.333  771.714   18.914 7.171875 27.04612 
1 1 1   10   10   19 o  116.375   12.729   36.644   8.0048   36.644   8.0048   0.0000   0.0000  116.375   12.729  ?   ?       ?      ? 
1 1 1   10   10   21 o  1316.28   15.795  4698.13  112.314  4749.29  160.984  4649.60  156.772  1323.22   22.514  1309.34   22.158 13.87976 31.58910 
1 1 1   10   10   22 o  524.473   6.8997  743.617   19.552  732.016   27.426  755.608   27.882  520.314   9.7546  528.632   9.7608 -8.317749 13.79941 
1 1 1   10   10   23 o  775.333   9.5876  1626.15   40.159  1600.74   56.042  1652.96   57.575  769.117   13.484  781.548   13.633 -12.43115 19.17527 
1 1 1   10   10   24 o  356.239   7.5051  343.049   14.447   0.0000   0.0000  343.049   14.447  ?   ?   356.239   7.5051      ?      ? 
1 1 1   10   10   25 o  882.094   10.800  2105.40   51.457  2064.57   71.576  2149.08   74.029  873.260   15.168  890.929   15.377 -17.66882 21.59933 
1 1 1   10   10   26 o  1215.75   14.615  4008.27   96.000  3962.79  134.301  4055.79  137.276  1208.72   20.562  1222.78   20.776 -14.05212 29.23063 
1 1 1   10   10   27 o  636.752   8.1231  1096.93   27.950  1088.54   39.475  1105.37   39.578  634.307   11.517  639.197   11.459 -4.890015 16.24627 
1 1 1   10   10   28 o  388.191   5.7659  406.916   12.078  417.323   17.631  397.711   16.581  392.857   8.3051  383.526   8.0005 9.330994 11.53179 
1 1 1   10   10   29 o  581.935   10.629  916.230   33.422   0.0000   0.0000  916.230   33.422  ?   ?   581.935   10.629      ?      ? 
1 1 1   10   10   30 o  486.824   6.6838  640.820   17.580  626.060   24.636  656.135   25.094  481.112   9.4760  492.535   9.4287 -11.42297 13.36769 
1 1 1   10   10   31 o  579.081   7.5647  907.169   23.668  891.584   33.168  923.338   33.784  574.016   10.693  584.147   10.703 -10.13159 15.12932 
1 1 1   10   10   32 o  216.353   6.4068  116.777   6.9832  154.369   13.023  101.608   8.2730  238.863   10.090  193.842   7.8981 45.02066 12.81358 
1 1 1   10   10   33 o  750.004   9.3863  1523.52   38.037  1508.06   53.352  1539.49   54.244  746.143   13.233  753.866   13.316 -7.723145 18.77258 
1 1 1   10   10   34 o  382.689   6.8583  397.289   13.781  400.379   17.566  392.342   22.225  384.706   8.4501  380.671   10.805 4.034668 13.71656 
1 1 1   10   10   35 o  113.172   8.2631   34.401   5.0209   40.415   7.4529   29.404   6.7941  122.161   11.290  104.183   12.068 17.97860 16.52615 
1 1 1   10   10   36 o  950.622   11.632  2456.44   59.746  2468.88   85.070  2444.33   83.930  952.972   16.520  948.272   16.379 4.699951 23.26348 
1 1 1   10   10   37 o  455.396   6.4411  561.360   15.848  548.191   22.194  575.060   22.637  449.946   9.1282  460.845   9.0901 -10.89929 12.88229 
1 1 1   10   10   38 o  314.040   5.4983  265.791   9.3043  281.636   13.802  252.593   12.597  322.572   7.9183  305.507   7.6305 17.06549 10.99653 
1 1 1   10   10   39 o  670.762   10.573  1239.49   36.645  1278.39   45.990  1171.85   60.649  686.119   12.404  655.405   17.125 30.71344 21.14531 
1 1 1   10   10   40 o  370.162   8.6924  371.654   17.368  394.595   25.201  350.901   23.969  381.029   12.240  359.296   12.346 21.73306 17.38472 
1 1 1   10   10   41 o  392.442   8.8110  418.867   18.678  413.964   25.996  424.099   26.853  390.097   12.332  394.787   12.588 -4.690430 17.62208 
1 1 1   10   10   42 o  345.185   7.1414  323.995   12.228  322.748   22.225  324.536   14.643  344.345   11.944  346.026   7.8312 -1.681885 14.28280 
1 1 1   10   10   43 o  329.526   5.4744  294.056   9.7406  282.405   13.470  306.825   14.102  322.697   7.7250  336.354   7.7588 -13.65726 10.94871 
1 1 1   10   10   44 o  112.293   8.0119   34.668   4.8160   30.473   6.9895   38.461   6.6452  105.688   12.239  118.898   10.343 -13.21017 16.02373 
1 1 1   10   10   45 o  248.400   5.3077  167.416   7.1186  167.617   10.278  167.231   9.8689  248.522   7.6535  248.278   7.3560 0.2440491 10.61541 
1 1 1   10   10   46 o  319.306   5.4789  276.309   9.4389  288.483   13.826  265.681   12.918  325.855   7.8519  312.758   7.6435 13.09726 10.95790 
1 1 1   10   10   47 f   71.746   11.456   14.613   4.3367   17.618   6.4803   12.176   5.8362   78.462   15.830   65.030   16.563 13.43248 22.91143 
1 1 1   10   10   48 o  200.841   5.4846  109.698   5.9496  109.911   8.5454  109.497   8.2886  201.012   7.8673  200.671   7.6438 0.3410034 10.96913 
1 1 1   10   10   49 f  160.273   5.9744   69.967   5.1689   71.865   7.5163   68.263   7.1197  162.311   8.5698  158.234   8.3267 4.077118 11.94885 
1 1 1   10   10   50 o  205.199   5.4895  114.649   6.0778  116.427   8.8681  113.074   8.3463  206.658   7.9413  203.740   7.5811 2.917404 10.97895 
1 1 1   10   10   51 o  168.512   6.0973   78.249   5.5018   67.497   7.8821   88.466   7.6831  156.973   9.2924  180.051   7.8968 -23.07843 12.19463 
1 1 1   10   10   52 o   44.727   12.402   3.7450   4.3582   3.5954   6.4691   3.8694   5.8973   45.107   17.865   44.346   17.206 0.7607613 24.80357 
1 1 1   10   10   53 o  229.024   5.5511  143.653   6.8616  137.167   9.7739  149.956   9.6351  223.837   8.0807  234.212   7.6130 -10.37534 11.10210 
1 1 1   10   10   54 o   90.273   11.784   25.658   5.1827   18.257   8.7272   29.690   6.4415   77.240   20.550  103.305   11.539 -26.06446 23.56802 
1 1 1   10   10   55 o  220.526   7.2317  134.531   8.5989  138.153   12.649  131.419   11.725  223.138   10.490  217.915   9.9573 5.222855 14.46345 
1 1 1   10   10   56 o  152.393   8.3619   64.591   6.8503   70.541   10.351   59.955   9.1373  158.458   12.089  146.327   11.556 12.13060 16.72381 
1 1 1   10   10   57 o  193.673   6.7596  102.690   6.9685   96.357   8.9970  112.185   11.017  186.645   8.9206  200.701   10.158 -14.05667 13.51927 
1 1 1   10   10   58 o  135.931   10.519   51.617   7.7265   51.617   7.7265   0.0000   0.0000  135.931   10.519  ?   ?       ?      ? 
1 1 1   10   10   59 o   29.504   10.005  -8.1045   4.5575  -6.7539   6.7457  -9.2388   6.1818   31.414   14.883   27.593   13.374 3.820797 20.00925 
1 1 1   10   10   60 o  129.044   7.8881   47.269   5.4949   48.172   7.9795   46.456   7.5780  130.102   11.350  127.985   10.957 2.117172 15.77624 
1 1 1   10   10   61 f  146.568   7.6598   60.914   6.0557   61.472   8.8451   60.421   8.3082  147.001   11.135  146.134   10.521 0.8674164 15.31952 
1 1 1   10   10   62 o   91.082   12.099   25.346   5.7750   32.702   8.5155   19.082   7.8581  105.141   14.988   77.024   18.998 28.11762 24.19894 
1 1 1   10   10   63 o  158.103   7.5205   72.905   6.4011   69.391   9.2927   76.077   8.8301  153.882   11.176  162.323   10.067 -8.441116 15.04108 
1 1 1   10   10   64 o   61.777   14.364   12.917   5.6258   16.572   8.2958   9.8049   7.6549   68.650   20.668   54.903   19.954 13.74672 28.72832 
1 1 1   10   11    0 o  427.747   8.2769  495.116   19.125  503.829   27.484  486.937   26.629  431.387   11.790  424.107   11.619 7.280762 16.55380 
1 1 1   10   11    1 o  554.995   10.096  834.311   30.267  819.144   42.155  850.450   43.485  549.802   14.189  560.188   14.366 -10.38696 20.19153 
1 1 1   10   11    2 o  786.326   13.705  1679.84   58.233  1678.15   82.343  1681.53   82.364  785.929   19.389  786.723   19.374 -0.7940063 27.40999 
1 1 1   10   11    3 o  355.489   7.3390  341.831   14.094  347.973   20.228  336.036   19.648  358.588   10.439  352.390   10.318 6.197662 14.67809 
1 1 1   10   11    4 o  133.047   6.7441   47.898   4.8453   45.653   6.8237   50.180   6.8813  129.900   9.7213  136.195   9.3503 -6.295303 13.48816 
1 1 1   10   11    5 o  875.996   15.137  2085.25   71.608  2043.92   99.227  2130.18  103.443  867.003   21.180  884.989   21.631 -17.98547 30.27345 
1 1 1   10   11    6 o  150.657   6.2678   61.415   5.1005   60.270   7.2732   62.523   7.1546  149.272   9.0170  152.041   8.7083 -2.769241 12.53561 
1 1 1   10   11    7 o  320.488   6.8523  275.431   11.806  254.505   15.753  302.252   17.833  306.728   9.5040  334.249   9.8737 -27.52048 13.70459 
1 1 1   10   11    8 o  794.226   13.800  1711.79   59.196  1746.17   85.367  1679.95   82.156  801.863   19.702  786.588   19.329 15.27502 27.59999 
1 1 1   10   11   10 o  261.069   7.5359  184.284   10.631   0.0000   0.0000  184.284   10.631  ?   ?   261.069   7.5359      ?      ? 
1 1 1   10   11   11 o  513.952   7.8908  714.234   21.915   0.0000   0.0000  714.234   21.915  ?   ?   513.952   7.8908      ?      ? 
1 1 1   10   11   12 o  206.351   5.7680  115.090   6.4317   0.0000   0.0000  115.090   6.4317  ?   ?   206.351   5.7680      ?      ? 
1 1 1   10   11   13 o  355.803   7.4077  342.244   14.242   0.0000   0.0000  342.244   14.242  ?   ?   355.803   7.4077      ?      ? 
1 1 1   10   11   14 o  359.182   6.2800  332.445   9.9622  377.703   22.303  321.165   11.135  373.654   11.046  344.710   5.9777 28.94406 12.55991 
1 1 1   10   11   15 o  373.428   5.5718  376.414   11.234  362.208   15.509  392.096   16.295  366.028   7.8411  380.828   7.9182 -14.79984 11.14364 
1 1 1   10   11   16 o  380.124   6.9657  390.461   13.460  389.867   16.444  391.667   23.431  379.746   8.0135  380.501   11.396 -0.7543030 13.93147 
1 1 1   10   11   17 o  260.043   5.9553  171.442   7.5951  210.090   14.732  157.451   8.8639  278.732   9.7811  241.353   6.7965 37.37885 11.91058 
1 1 1   10   11   18 o  273.588   10.241  202.410   15.140  202.410   15.140   0.0000   0.0000  273.588   10.241  ?   ?       ?      ? 
1 1 1   10   11   21 o  575.885   7.4440  896.665   23.159  906.196   33.179  887.608   32.342  578.865   10.607  572.905   10.447 5.959534 14.88797 
1 1 1   10   11   22 o  729.604   9.1179  1440.09   35.944  1423.38   50.408  1457.38   51.268  725.300   12.861  733.907   12.928 -8.606995 18.23573 
1 1 1   10   11   23 o  670.809   11.980  1217.32   43.426   0.0000   0.0000  1217.32   43.426  ?   ?   670.809   11.980      ?      ? 
1 1 1   10   11   24 o  389.020   7.9860  409.117   16.788   0.0000   0.0000  409.117   16.788  ?   ?   389.020   7.9860      ?      ? 
1 1 1   10   11   25 o  680.068   8.5902  1249.50   31.538  1211.05   43.457  1292.27   45.840  669.043   12.021  691.094   12.275 -22.05115 17.18039 
1 1 1   10   11   26 o  345.748   5.5031  323.333   10.277  315.925   14.639  330.533   14.431  341.837   7.9249  349.659   7.6376 -7.821808 11.00620 
1 1 1   10   11   27 o  207.565   5.3096  116.700   5.9174  114.460   8.8374  118.520   7.9672  205.748   7.9488  209.382   7.0417 -3.634369 10.61926 
1 1 1   10   11   28 o  774.643   9.6415  1622.87   40.324  1577.15   55.646  1673.43   58.515  763.187   13.493  786.100   13.775 -22.91309 19.28293 
1 1 1   10   11   29 o  239.471   7.3575  155.040   9.5207   0.0000   0.0000  155.040   9.5207  ?   ?   239.471   7.3575      ?      ? 
1 1 1   10   11   30 o  541.524   7.2119  793.300   21.102  781.158   29.651  805.762   30.039  537.325   10.212  545.723   10.186 -8.398132 14.42383 
1 1 1   10   11   31 o  730.794   9.1860  1446.06   36.272  1429.65   50.903  1462.98   51.700  726.587   12.965  735.001   13.017 -8.413757 18.37199 
1 1 1   10   11   32 o  480.984   6.7398  624.970   17.488  641.212   25.612  610.784   23.936  486.816   9.7362  475.153   9.3225 11.66312 13.47966 
1 1 1   10   11   33 o  732.370   11.179  1469.82   42.357  1405.41   70.161  1506.76   53.132  719.125   18.055  745.616   13.187 -26.49170 22.35822 
1 1 1   10   11   34 o  943.902   14.160  2409.93   67.784  2381.87   82.448  2468.47  119.069  936.642   16.290  951.162   23.166 -14.51917 28.32024 
1 1 1   10   11   35 o  345.894   6.5846  326.254   12.066  336.761   15.736  311.261   18.797  352.775   8.2550  339.013   10.261 13.76135 13.16920 
1 1 1   10   11   36 o  230.328   5.5399  143.464   6.8789  145.028   10.103  142.112   9.3923  231.486   8.0768  229.170   7.5845 2.315903 11.07972 
1 1 1   10   11   37 o  462.405   6.5230  578.458   16.282  592.133   23.682  566.201   22.421  467.564   9.3731  457.246   9.0744 10.31760 13.04608 
1 1 1   10   11   38 o  659.834   12.201  1185.54   43.443  1227.48   63.505  1148.65   59.560  670.684   17.523  648.985   16.984 21.69836 24.40277 
1 1 1   10   11   39 o  516.189   10.224  725.774   28.517  728.378   40.442  723.198   40.218  517.106   14.473  515.272   14.444 1.833740 20.44768 
1 1 1   10   11   40 o  363.796   8.7168  359.645   17.119  352.703   23.609  367.342   24.860  360.136   12.132  367.457   12.520 -7.320831 17.43366 
1 1 1   10   11   41 o  118.191   12.165   43.352   5.9630   31.509   12.273   47.011   6.8223  104.780   22.358  131.602   9.5936 -26.82197 24.32920 
1 1 1   10   11   42 o  225.259   5.4425  137.613   6.6142  137.265   9.6229  137.925   9.1062  224.965   7.9159  225.553   7.4714 -0.5877533 10.88503 
1 1 1   10   11   43 o  376.534   5.8528  384.816   11.906  376.910   16.868  392.666   16.808  372.660   8.3764  380.409   8.1764 -7.749542 11.70551 
1 1 1   10   11   44 o   81.815   10.918   19.001   4.6344   17.243   7.1512   20.274   6.0852   77.544   17.484   86.087   13.081 -8.543373 21.83583 
1 1 1   10   11   45 o  452.968   6.4335  558.051   15.738  567.648   22.714  549.190   21.827  456.673   9.2046  449.263   8.9909 7.410126 12.86703 
1 1 1   10   11   46 o  224.554   5.4864  136.811   6.6469  140.760   9.7250  133.349   9.1057  227.564   7.9086  221.543   7.6062 6.021637 10.97271 
1 1 1   10   11   47 o  137.600   6.8998   51.591   5.1212   52.956   7.5061   50.403   7.0049  139.269   9.9740  135.931   9.5367 3.338150 13.79961 
1 1 1   10   11   48 o  131.642   7.0913   47.596   5.0025   45.872   7.4960   48.981   6.7171  129.366   10.723  133.918   9.2823 -4.551590 14.18260 
1 1 1   10   11   49 o  194.665   5.5771  103.298   5.8522  102.909   8.5725  103.637   8.0086  194.262   8.1664  195.068   7.5977 -0.8063812 11.15420 
1 1 1   10   11   50 o   40.651   11.851   1.5931   4.2699  -0.8377   6.5726   3.3682   5.6166   38.433   16.773   42.870   16.748 -4.436913 23.70271 
1 1 1   10   11   51 o  165.906   6.1012   75.377   5.4508   75.196   8.0435   75.531   7.4122  165.629   8.9872  166.184   8.2542 -0.5548096 12.20247 
1 1 1   10   11   52 o   29.663   10.008  -7.7042   4.4314  -8.0276   6.6882  -7.4511   5.9164   30.696   14.622   28.629   13.669 2.066721 20.01585 
1 1 1   10   11   53 o   54.150   13.147   6.8138   5.5036  -3.5495   8.6833   13.773   7.1154   40.616   18.393   67.684   18.789 -27.06797 26.29351 
1 1 1   10   11   54 o   87.090   12.757   23.092   5.8098   18.797   8.9719   26.194   7.6243   78.110   20.862   96.069   14.687 -17.95853 25.51322 
1 1 1   10   11   55 o   47.013   12.785   3.8432   4.9379   8.6910   6.8382  -1.4390   7.1379   55.402   18.972   38.625   17.142 16.77759 25.56921 
1 1 1   10   11   56 o  165.206   6.4363   75.047   5.7231   84.963   8.4461   66.629   7.7819  175.313   8.9156  155.100   9.2851 20.21211 12.87251 
1 1 1   10   11   57 o   57.392   13.208   9.0334   4.8145   13.999   7.4120   5.4092   6.3322   67.268   19.352   47.515   17.981 19.75266 26.41623 
1 1 1   10   11   58 o   85.574   11.380   23.586   5.0288   11.179   7.3184   34.685   6.9218   60.353   19.605  110.795   11.561 -50.44241 22.76001 
1 1 1   10   11   59 o  118.378   8.4575   39.915   5.4003   37.896   7.7152   41.855   7.5615  115.221   12.392  121.535   11.514 -6.314606 16.91509 
1 1 1   10   11   60 o  125.386   8.4966   45.840   5.6612   38.546   8.2479   52.338   7.7844  114.981   13.275  135.791   10.609 -20.81065 16.99314 
1 1 1   10   11   61 o  182.437   6.9598   93.705   6.8364   85.311   9.7039  101.976   9.6328  173.958   10.323  190.915   9.3374 -16.95651 13.91956 
1 1 1   10   11   62 o  196.845   6.7030  109.571   7.1160  116.674   10.470  103.473   9.7012  202.672   9.5598  191.018   9.3986 11.65370 13.40609 
1 1 1   10   11   63 o  221.842   6.3700  139.074   7.6176  142.493   11.219  136.151   10.376  224.075   9.2659  219.610   8.7435 4.465042 12.73993 
1 1 1   10   11   64 o   37.184   11.997  -3.8435   5.5274   4.0557   8.3165 -10.0940   7.3978   44.958   19.238   29.409   14.339 15.54849 23.99378 
1 1 1   10   12    0 o  560.218   7.3308  848.783   22.186  833.199   30.938  865.283   31.833  554.930   10.317  565.506   10.417 -10.57581 14.66168 
1 1 1   10   12    1 o  425.647   6.0725  489.764   13.964  479.404   19.495  500.679   20.010  421.027   8.5691  430.266   8.6064 -9.239014 12.14495 
1 1 1   10   12    2 o  207.322   5.0444  116.239   5.6482  115.214   8.1009  117.209   7.8792  206.430   7.2622  208.214   7.0030 -1.784119 10.08871 
1 1 1   10   12    4 o  642.650   8.2036  1117.69   28.485  1126.20   40.655  1109.48   39.923  645.046   11.664  640.253   11.539 4.792786 16.40723 
1 1 1   10   12    5 o  947.815   16.397  2435.71   83.981   0.0000   0.0000  2435.71   83.981  ?   ?   947.815   16.397      ?      ? 
1 1 1   10   12    7 o  524.984   6.9875  744.931   19.810  728.778   27.435  762.528   28.634  519.049   9.7817  530.919   9.9810 -11.86963 13.97501 
1 1 1   10   12    8 o  611.379   8.9782  1008.15   25.799  1019.37   51.385  1004.37   29.832  613.355   15.504  609.403   9.0591 3.952087 17.95647 
1 1 1   10   12    9 o  696.106   8.7688  1310.35   32.984   0.0000   0.0000  1310.35   32.984  ?   ?   696.106   8.7688      ?      ? 
1 1 1   10   12   10 f  277.022   6.8335  207.446   10.229   0.0000   0.0000  207.446   10.229  ?   ?   277.022   6.8335      ?      ? 
1 1 1   10   12   11 o  353.459   8.1582  337.783   15.582   0.0000   0.0000  337.783   15.582  ?   ?   353.459   8.1582      ?      ? 
1 1 1   10   12   12 o  283.319   6.9105  216.982   10.580   0.0000   0.0000  216.982   10.580  ?   ?   283.319   6.9105      ?      ? 
1 1 1   10   12   13 o  180.686   5.3291   88.232   5.2031   0.0000   0.0000   88.232   5.2031  ?   ?   180.686   5.3291      ?      ? 
1 1 1   10   12   14 o  538.254   8.7277  771.430   23.350  815.541   42.921  752.887   27.828  548.864   14.472  527.644   9.7602 21.22052 17.45539 
1 1 1   10   12   15 o  668.112   11.991  1208.78   43.281  1194.37   60.505  1223.87   61.938  664.045   16.862  672.178   17.052 -8.132874 23.98134 
1 1 1   10   12   16 o  375.190   5.6950  379.301   11.517  397.163   17.034  364.261   15.631  383.296   8.2242  367.085   7.8800 16.21149 11.38999 
1 1 1   10   12   17 o  477.161   13.164  615.991   33.942  615.991   33.942   0.0000   0.0000  477.161   13.164  ?   ?       ?      ? 
1 1 1   10   12   18 o  838.392   10.320  1901.51   46.739  1871.64   65.152  1933.19   67.088  831.620   14.498  845.164   14.690 -13.54382 20.63948 
1 1 1   10   12   20 o  477.596   6.5600  616.675   16.929  606.951   23.813  626.611   24.071  473.789   9.3012  481.403   9.2532 -7.614105 13.12000 
1 1 1   10   12   21 o  444.109   6.2755  532.930   15.055  518.792   20.986  547.922   21.611  438.044   8.8659  450.174   8.8838 -12.12943 12.55092 
1 1 1   10   12   22 o  526.039   7.0297  748.032   19.978  733.718   27.935  763.020   28.584  520.890   9.9245  531.188   9.9584 -10.29773 14.05930 
1 1 1   10   12   23 o  719.782   9.0350  1401.49   35.135  1381.08   49.141  1422.83   50.256  714.427   12.729  725.138   12.826 -10.71124 18.07006 
1 1 1   10   12   24 o  1030.43   12.512  2876.39   69.642  2827.72   96.949  2928.29  100.103  1021.45   17.565  1039.41   17.823 -17.95898 25.02316 
1 1 1   10   12   25 o  387.823   8.1532  406.677   17.086   0.0000   0.0000  406.677   17.086  ?   ?   387.823   8.1532      ?      ? 
1 1 1   10   12   26 o  356.612   7.9106  343.860   15.244   0.0000   0.0000  343.860   15.244  ?   ?   356.612   7.9106      ?      ? 
1 1 1   10   12   27 o  785.462   9.7907  1669.57   41.538  1632.55   57.740  1709.28   59.802  776.455   13.762  794.469   13.930 -18.01416 19.58142 
1 1 1   10   12   28 o  285.567   7.3959  220.479   11.413   0.0000   0.0000  220.479   11.413  ?   ?   285.567   7.3959      ?      ? 
1 1 1   10   12   30 o  711.533   8.9930  1370.23   34.567  1342.68   48.178  1399.45   49.624  704.174   12.661  718.893   12.774 -14.71869 17.98593 
1 1 1   10   12   31 o  514.546   7.0193  716.535   19.514  708.192   27.718  724.733   27.477  511.568   10.027  517.524   9.8255 -5.956146 14.03865 
1 1 1   10   12   32 o  437.237   6.3563  517.383   15.015  507.126   21.287  527.539   21.182  432.915   9.0994  441.559   8.8776 -8.643250 12.71269 
1 1 1   10   12   33 o  519.695   8.6402  721.851   22.531  758.333   40.647  705.669   27.070  528.789   14.225  510.601   9.8112 18.18756 17.28048 
1 1 1   10   12   34 f   80.352   13.580   13.506   5.5549   32.027   11.107   7.3283   6.4148  106.688   20.001   54.016   18.376 52.67228 27.16048 
1 1 1   10   12   35 o  931.536   13.976  2371.35   66.694  2377.07   82.243  2360.36  113.980  934.708   16.283  928.364   22.721 6.344788 27.95293 
1 1 1   10   12   36 o  180.942   8.8577   85.180   7.7424   80.992   9.0008   97.095   15.182  172.909   9.6333  188.975   14.867 -16.06638 17.71548 
1 1 1   10   12   37 o  380.557   8.8891  393.362   18.276  401.802   25.836  384.910   25.856  384.665   12.430  376.449   12.711 8.215820 17.77817 
1 1 1   10   12   38 o  197.010   9.3998  105.447   9.9943  102.883   13.733  108.333   14.573  194.491   13.067  199.530   13.516 -5.039078 18.79954 
1 1 1   10   12   39 o  243.392   8.7636  161.019   11.512  158.784   15.853  163.514   16.746  241.639   12.141  245.145   12.641 -3.505905 17.52724 
1 1 1   10   12   40 o  213.169   5.7406  122.451   6.5624  128.874   10.014  117.617   8.6879  218.005   8.5006  208.332   7.7174 9.672653 11.48122 
1 1 1   10   12   41 o  450.252   6.4058  550.477   15.583  549.926   22.211  551.012   21.870  450.012   9.1338  450.493   8.9839 -0.4810791 12.81162 
1 1 1   10   12   42 o  362.483   5.8022  356.593   11.358  354.805   16.326  358.270   15.812  361.573   8.3560  363.392   8.0524 -1.819275 11.60449 
1 1 1   10   12   43 o  108.432   8.5897   32.860   4.9119   26.956   7.3251   37.684   6.6211   99.221   13.662  117.643   10.415 -18.42162 17.17945 
1 1 1   10   12   44 o  186.806   5.8993   93.859   5.9016  102.013   9.1028   87.946   7.7515  193.684   8.6974  179.928   7.9726 13.75662 11.79860 
1 1 1   10   12   45 o  159.639   6.5380   69.981   5.5927   61.779   8.0900   77.489   7.7402  150.504   9.9474  168.773   8.4871 -18.26932 13.07604 
1 1 1   10   12   46 o  364.675   8.0781  361.742   15.919   0.0000   0.0000  361.742   15.919  ?   ?   364.675   8.0781      ?      ? 
1 1 1   10   12   47 o  271.283   7.5179  200.209   11.021   0.0000   0.0000  200.209   11.021  ?   ?   271.283   7.5179      ?      ? 
1 1 1   10   12   48 o  215.374   5.7047  125.901   6.6077  131.844   9.9236  121.167   8.8567  219.852   8.3532  210.896   7.7717 8.955490 11.40940 
1 1 1   10   12   49 o  194.557   5.8581  102.085   6.1139  113.646   9.3623   93.489   8.0731  203.995   8.4932  185.118   8.0705 18.87697 11.71617 
1 1 1   10   12   50 o  127.565   7.5038   44.735   5.1531   45.881   7.6643   43.790   6.9615  128.961   10.998  126.168   10.211 2.793480 15.00759 
1 1 1   10   12   51 o   76.763   14.442   17.674   6.0145   18.232   9.4959   17.300   7.7722   77.480   21.776   76.046   18.975 1.434547 28.88349 
1 1 1   10   12   52 o  198.925   7.5353  109.621   7.9842  109.032   12.350  110.045   10.466  198.053   11.539  199.796   9.6937 -1.743103 15.07068 
1 1 1   10   12   53 o   46.835   13.407   2.7939   5.6104  -4.0653   9.0714   7.0428   7.1397   41.037   18.668   52.633   19.249 -11.59602 26.81459 
1 1 1   10   12   54 o   59.953   12.123   10.439   4.6953   2.7493   6.8897   17.106   6.4158   44.077   18.084   75.829   16.152 -31.75250 24.24698 
1 1 1   10   12   55 o   72.709   12.725   16.257   4.9846   14.464   7.3376   17.793   6.7926   68.555   19.098   76.863   16.821 -8.308189 25.44958 
1 1 1   10   12   56 o   81.646   11.521   20.238   4.9314   15.929   7.3065   23.842   6.6833   71.817   18.659   91.475   13.521 -19.65816 23.04240 
1 1 1   10   12   57 o   61.717   12.733   11.889   4.8150   6.3600   7.3167   16.113   6.3950   50.659   19.290   72.775   16.626 -22.11563 25.46653 
1 1 1   10   12   58 o  157.355   7.0930   69.555   5.9742   66.959   8.9819   71.615   8.0006  154.297   10.773  160.413   9.2299 -6.116043 14.18597 
1 1 1   10   12   59 o   41.667   12.715   1.1945   5.1855   2.3680   7.8346   0.2796   6.9176   44.095   18.765   39.240   17.164 4.854374 25.43100 
1 1 1   10   12   60 o  100.101   11.342   30.637   5.8808   26.711   8.6959   33.945   7.9831   92.248   18.091  107.954   13.685 -15.70628 22.68430 
1 1 1   10   12   61 f  224.694   9.3673  141.818   11.374  141.818   11.374   0.0000   0.0000  224.694   9.3673  ?   ?       ?      ? 
1 1 1   10   12   62 o  141.546   8.2312   58.360   6.2499   68.961   9.3651   49.847   8.3922  153.342   11.302  129.751   11.970 23.59117 16.46237 
1 1 1   10   12   63 o   89.806   12.186   25.875   5.7629   32.260   8.5304   20.514   7.8163  101.891   15.493   77.721   18.813 24.16937 24.37176 
1 1 1   10   13    0 o  553.964   7.2993  829.658   21.841  812.787   30.363  847.749   31.441  548.136   10.251  559.791   10.394 -11.65527 14.59852 
1 1 1   10   13    2 f  530.316   7.0876  760.460   20.306  748.250   28.355  773.313   29.093  525.951   9.9770  534.681   10.069 -8.730286 14.17518 
1 1 1   10   13    4 f  1079.57   18.542  3160.84  108.165   0.0000   0.0000  3160.84  108.165  ?   ?   1079.57   18.542      ?      ? 
1 1 1   10   13    5 o  501.152   6.8424  678.549   18.518  659.762   25.636  699.046   26.778  493.910   9.6055  508.394   9.7473 -14.48413 13.68484 
1 1 1   10   13    6 o  1061.21   12.903  3052.38   73.973  3009.98  103.172  3097.23  106.117  1053.66   18.121  1068.77   18.374 -15.11035 25.80655 
1 1 1   10   13    7 o  106.960   7.0027   31.751   3.8876   27.725   6.2190   34.333   4.9806  101.232   11.369  112.688   8.1793 -11.45660 14.00545 
1 1 1   10   13    8 o  358.124   6.5258  346.670   12.629   0.0000   0.0000  346.670   12.629  ?   ?   358.124   6.5258      ?      ? 
1 1 1   10   13    9 o  446.353   7.3804  538.584   17.801   0.0000   0.0000  538.584   17.801  ?   ?   446.353   7.3804      ?      ? 
1 1 1   10   13   10 o  231.510   6.8265  144.876   8.5399   0.0000   0.0000  144.876   8.5399  ?   ?   231.510   6.8265      ?      ? 
1 1 1   10   13   11 o  153.846   7.4958   63.982   6.2315   0.0000   0.0000   63.982   6.2315  ?   ?   153.846   7.4958      ?      ? 
1 1 1   10   13   12 o  272.702   5.3639  200.977   7.9042   0.0000   0.0000  200.977   7.9042  ?   ?   272.702   5.3639      ?      ? 
1 1 1   10   13   13 o  607.310   10.996  997.512   36.084   0.0000   0.0000  997.512   36.084  ?   ?   607.310   10.996      ?      ? 
1 1 1   10   13   15 o  614.877   9.1228  1032.33   26.498  1003.15   51.856  1042.64   30.827  608.747   15.764  621.007   9.1865 -12.26013 18.24556 
1 1 1   10   13   16 o  1003.82   14.930  2745.57   76.892  2689.19  130.538  2775.52   95.151  995.322   24.271  1012.33   17.394 -17.00269 29.86024 
1 1 1   10   13   18 o  731.802   9.1803  1448.77   36.298  1431.37   50.866  1466.83   51.814  727.328   12.942  736.277   13.023 -8.948914 18.36056 
1 1 1   10   13   19 o  377.459   5.7825  384.760   11.781  393.357   17.145  377.071   16.216  381.445   8.3181  373.473   8.0350 7.972473 11.56510 
1 1 1   10   13   20 o  512.932   9.8451  711.460   27.288   0.0000   0.0000  711.460   27.288  ?   ?   512.932   9.8451      ?      ? 
1 1 1   10   13   21 o  645.193   8.2831  1125.65   28.871  1106.95   40.275  1145.42   41.408  639.687   11.652  650.698   11.776 -11.01062 16.56627 
1 1 1   10   13   22 o  768.621   9.6360  1595.60   39.961  1539.35   54.703  1659.97   58.515  754.147   13.424  783.095   13.828 -28.94775 19.27202 
1 1 1   10   13   23 o  353.297   7.9436  337.469   15.165   0.0000   0.0000  337.469   15.165  ?   ?   353.297   7.9436      ?      ? 
1 1 1   10   13   24 o  417.467   6.2073  471.362   14.000  468.313   19.970  474.310   19.632  416.135   8.8809  418.800   8.6748 -2.664856 12.41463 
1 1 1   10   13   25 o  612.090   7.9665  1013.78   26.349  1002.25   37.165  1025.43   37.360  608.588   11.301  615.593   11.231 -7.004822 15.93299 
1 1 1   10   13   26 o  509.538   6.9878  702.309   19.239  693.851   27.193  710.786   27.224  506.463   9.9361  512.613   9.8280 -6.149933 13.97557 
1 1 1   10   13   27 o  696.754   8.8661  1312.65   33.355  1272.56   46.064  1356.83   48.361  685.597   12.434  707.911   12.642 -22.31476 17.73213 
1 1 1   10   13   28 o  879.245   10.853  2094.11   51.543  2050.20   71.628  2141.27   74.229  869.711   15.241  888.779   15.456 -19.06732 21.70655 
1 1 1   10   13   29 o  868.355   15.123  2043.86   70.959   0.0000   0.0000  2043.86   70.959  ?   ?   868.355   15.123      ?      ? 
1 1 1   10   13   30 o  679.055   8.6876  1244.60   31.806  1186.03   43.235  1313.67   46.955  661.734   12.091  696.376   12.478 -34.64172 17.37522 
1 1 1   10   13   31 o  131.790   8.1630   47.265   5.6784   45.965   8.9912   48.128   7.3239  130.239   12.776  133.341   10.165 -3.101227 16.32609 
1 1 1   10   13   32 o  143.190   7.5595   56.731   5.6899   49.363   8.7947   62.035   7.4620  134.976   12.058  151.403   9.1207 -16.42744 15.11894 
1 1 1   10   13   33 o  538.796   10.173  786.330   29.619   0.0000   0.0000  786.330   29.619  ?   ?   538.796   10.173      ?      ? 
1 1 1   10   13   34 o  164.099   10.788   71.819   9.4614   64.099   12.318   82.928   14.776  153.575   14.843  174.623   15.660 -21.04799 21.57622 
1 1 1   10   13   35 o  420.642   9.4103  480.482   21.384  495.496   30.394  465.766   30.092  427.172   13.167  414.113   13.448 13.05798 18.82069 
1 1 1   10   13   36 o   61.471   23.719   6.9054   11.158   6.9054   11.158   0.0000   0.0000   61.471   23.719  ?   ?       ?      ? 
1 1 1   10   13   37 o  306.534   8.6853  255.553   14.369  259.009   19.917  251.802   20.750  308.747   11.938  304.321   12.618 4.426270 17.37064 
1 1 1   10   13   38 o  521.346   8.9359  715.113   22.629  795.721   43.734  685.641   26.444  539.995   14.988  502.695   9.7351 37.29993 17.87189 
1 1 1   10   13   39 o  237.156   5.7434  152.332   7.3194  153.739   10.966  151.202   9.8291  238.103   8.5233  236.210   7.7007 1.893311 11.48686 
1 1 1   10   13   40 f  227.723   5.7531  141.391   7.0395  131.916   10.293  149.717   9.6490  220.461   8.6401  234.986   7.5989 -14.52512 11.50626 
1 1 1   10   13   41 o  282.571   5.5401  216.056   8.4297  222.593   12.531  210.652   11.393  286.429   8.0961  278.714   7.5647 7.714813 11.08027 
1 1 1   10   13   42 o  440.077   6.3888  526.334   15.192  519.220   21.473  533.463   21.495  437.083   9.0917  443.070   8.9781 -5.986725 12.77751 
1 1 1   10   13   43 o  111.744   8.4398   34.041   4.9829   34.655   7.9557   33.644   6.3919  112.435   13.095  111.053   10.652 1.381393 16.87968 
1 1 1   10   13   44 o  124.841   7.5612   42.423   5.0210   43.380   7.8612   41.763   6.5253  125.914   11.554  123.768   9.7567 2.146194 15.12233 
1 1 1   10   13   45 o  126.382   9.7147   43.574   6.6344   0.0000   0.0000   43.574   6.6344  ?   ?   126.382   9.7147      ?      ? 
1 1 1   10   13   46 o  100.325   11.649   27.635   6.3153   0.0000   0.0000   27.635   6.3153  ?   ?   100.325   11.649      ?      ? 
1 1 1   10   13   47 o  193.038   5.9435  101.827   6.1822   98.937   9.0120  104.397   8.4967  190.367   8.7608  195.710   8.0344 -5.343262 11.88706 
1 1 1   10   13   48 o  122.662   7.8788   39.196   5.0446   57.501   8.1669   27.903   6.4147  144.725   10.443  100.598   11.800 44.12788 15.75770 
1 1 1   10   13   49 o  153.955   8.5294   64.762   6.8795   69.122   11.349   62.230   8.6500  157.588   13.327  150.323   10.649 7.264435 17.05881 
1 1 1   10   13   50 o  237.124   7.4623  154.619   9.4353  157.950   14.639  152.252   12.340  238.929   11.339  235.320   9.7047 3.608871 14.92467 
1 1 1   10   13   51 o  191.417   7.9315  102.332   8.0021   98.198   12.650  105.090   10.332  187.582   12.480  195.252   9.7928 -7.669724 15.86308 
1 1 1   10   13   52 o   92.274   10.408   23.935   5.0054   30.248   7.6456   19.200   6.6217  103.660   13.649   80.889   15.716 22.77118 20.81565 
1 1 1   10   13   53 o   71.095   12.153   15.500   4.9760   8.2050   7.3895   21.551   6.7307   55.074   19.657   87.116   14.298 -32.04236 24.30698 
1 1 1   10   13   54 o  178.904   6.3800   88.252   6.1580   91.231   9.0179   85.650   8.4292  181.655   9.1869  176.154   8.8554 5.501816 12.75998 
1 1 1   10   13   55 o   86.737   11.178   22.295   5.0523   21.123   7.6855   23.186   6.7047   83.356   17.614   90.118   13.768 -6.762169 22.35674 
1 1 1   10   13   56 o   42.535   12.669   1.7830   4.9059   2.5274   7.5809   1.2466   6.4350   44.846   18.735   40.224   17.058 4.622017 25.33766 
1 1 1   10   13   57 o   73.363   12.635   15.916   5.1804   25.442   7.9759   8.9657   6.8132   91.576   16.735   55.150   18.935 36.42669 25.27056 
1 1 1   10   13   58 o   94.301   11.599   26.352   5.6924   34.518   8.7282   20.307   7.5091  108.184   14.930   80.418   17.755 27.76575 23.19814 
1 1 1   10   13   59 o   73.825   14.034   17.673   5.6677   18.927   8.7380   16.763   7.4466   75.546   20.763   72.104   18.887 3.441666 28.06797 
1 1 1   10   13   60 o   73.972   14.481   18.061   6.0685   14.826   8.7208   21.098   8.4498   67.126   21.360   80.817   19.560 -13.69056 28.96284 
1 1 1   10   13   61 o   43.730   12.265  -0.0659   5.5706 -14.8250   8.3299   11.875   7.4924   29.127   14.400   58.333   19.859 -29.20643 24.53088 
1 1 1   10   13   62 o   92.233   12.012   26.640   5.7666   36.606   8.6976   18.822   7.7031  109.782   14.662   74.685   19.032 35.09730 24.02465 
1 1 1   10   13   63 o   89.566   12.304   27.466   5.7262   21.722   8.5419   32.154   7.7170   77.226   20.228  101.906   14.014 -24.67926 24.60832 
1 1 1   10   14    0 o  608.318   11.379  1002.47   37.404  994.820   52.856  1010.14   52.939  605.990   16.142  610.647   16.043 -4.656677 22.75829 
1 1 1   10   14    1 o  916.530   16.052  2281.53   79.498  2281.53  112.682  2281.53  112.175  916.519   22.752  916.541   22.649 -0.2172852E-01 32.10382 
1 1 1   10   14    2 o  560.898   15.298  852.027   46.366  852.027   46.366   0.0000   0.0000  560.898   15.298  ?   ?       ?      ? 
1 1 1   10   14    3 o  574.696   7.5598  893.177   23.474  880.532   32.890  906.307   33.513  570.553   10.668  578.840   10.714 -8.287537 15.11966 
1 1 1   10   14    4 o  422.667   8.7058  483.037   19.884   0.0000   0.0000  483.037   19.884  ?   ?   422.667   8.7058      ?      ? 
1 1 1   10   14    5 o  389.512   6.0000  410.192   12.629  407.866   17.788  412.555   17.931  388.399   8.4756  390.625   8.4950 -2.225708 12.00003 
1 1 1   10   14    6 o  1032.93   17.825  2891.32   99.494   0.0000   0.0000  2891.32   99.494  ?   ?   1032.93   17.825      ?      ? 
1 1 1   10   14    7 o  880.525   12.477  2094.59   51.391  2113.06  103.023  2088.47   59.295  882.480   21.604  878.571   12.490 3.909424 24.95488 
1 1 1   10   14    8 o  529.724   7.1326  758.493   20.417   0.0000   0.0000  758.493   20.417  ?   ?   529.724   7.1326      ?      ? 
1 1 1   10   14    9 o  641.140   8.2611  1111.25   28.620   0.0000   0.0000  1111.25   28.620  ?   ?   641.140   8.2611      ?      ? 
1 1 1   10   14   10 f  531.692   7.1622  764.114   20.578   0.0000   0.0000  764.114   20.578  ?   ?   531.692   7.1622      ?      ? 
1 1 1   10   14   11 o  293.104   8.5922  232.248   13.609   0.0000   0.0000  232.248   13.609  ?   ?   293.104   8.5922      ?      ? 
1 1 1   10   14   12 o  308.396   7.3835  257.074   12.304   0.0000   0.0000  257.074   12.304  ?   ?   308.396   7.3835      ?      ? 
1 1 1   10   14   13 o  289.526   8.3791  226.608   13.109   0.0000   0.0000  226.608   13.109  ?   ?   289.526   8.3791      ?      ? 
1 1 1   10   14   14 o  886.394   15.590  2127.12   74.671   0.0000   0.0000  2127.12   74.671  ?   ?   886.394   15.590      ?      ? 
1 1 1   10   14   15 o  451.541   7.3740  543.573   15.271  566.216   31.772  536.770   17.415  457.459   12.853  445.622   7.2321 11.83661 14.74794 
1 1 1   10   14   16 o  740.768   11.556  1438.70   41.878  1597.52   79.987  1378.72   49.154  767.696   19.282  713.840   12.743 53.85663 23.11186 
1 1 1   10   14   18 o  192.705   6.1231  100.206   6.3663  103.739   9.3195   97.115   8.7171  195.881   8.8047  189.529   8.5116 6.352783 12.24619 
1 1 1   10   14   19 o  250.718   5.6430  169.886   7.6378  171.026   11.065  168.849   10.556  251.518   8.1410  249.918   7.8166 1.600250 11.28609 
1 1 1   10   14   20 o  604.427   7.9378  987.801   25.918  968.850   36.109  1007.94   37.223  598.455   11.166  610.400   11.285 -11.94501 15.87552 
1 1 1   10   14   22 o  820.778   10.216  1821.92   45.263  1767.23   62.299  1883.06   65.873  807.776   14.273  833.779   14.621 -26.00348 20.43210 
1 1 1   10   14   23 o  407.651   8.6918  449.401   19.146   0.0000   0.0000  449.401   19.146  ?   ?   407.651   8.6918      ?      ? 
1 1 1   10   14   24 o  595.822   7.8541  957.158   25.233  910.058   34.339  1012.44   37.203  579.957   10.957  611.686   11.255 -31.72906 15.70822 
1 1 1   10   14   25 o  603.818   7.9443  986.425   25.918  970.348   36.317  1003.11   36.999  598.807   11.224  608.830   11.246 -10.02344 15.88855 
1 1 1   10   14   26 o  1210.71   14.655  3978.39   95.782  3870.80  131.911  4098.38  139.305  1193.52   20.453  1227.91   20.995 -34.39722 29.31067 
1 1 1   10   14   28 o  720.897   9.1738  1403.74   35.672  1343.10   48.699  1473.95   52.401  704.171   12.798  737.623   13.147 -33.45209 18.34750 
1 1 1   10   14   29 o  530.953   7.2755  761.312   20.848  725.409   28.637  801.797   30.410  517.671   10.237  544.235   10.340 -26.56378 14.55101 
1 1 1   10   14   30 o  317.232   5.8565  272.494   10.026  266.520   14.462  278.022   13.912  313.869   8.5266  320.594   8.0307 -6.724731 11.71301 
1 1 1   10   14   31 o  455.602   13.639  563.063   33.578   0.0000   0.0000  563.063   33.578  ?   ?   455.602   13.639      ?      ? 
1 1 1   10   14   32 o  215.646   9.3389  125.344   10.843  115.811   14.606  137.049   16.185  206.582   13.084  224.709   13.329 -18.12721 18.67775 
1 1 1   10   14   33 o  276.395   8.7071  206.638   12.973  228.153   18.872  187.365   17.862  290.018   12.042  262.771   12.579 27.24695 17.41417 
1 1 1   10   14   34 o  263.579   9.0336  188.534   12.845  203.851   18.404  173.986   17.936  274.047   12.428  253.112   13.114 20.93507 18.06715 
1 1 1   10   14   35 o  354.369   12.683  341.216   24.286   0.0000   0.0000  341.216   24.286  ?   ?   354.369   12.683      ?      ? 
1 1 1   10   14   36 o  144.715   10.670   62.426   7.3586   44.752   12.926   70.901   8.9506  127.785   18.719  161.646   10.247 -33.86045 21.34044 
1 1 1   10   14   37 o  391.723   7.1389  411.431   14.593  397.674   18.252  435.811   24.298  382.971   8.8196  400.475   11.228 -17.50388 14.27785 
1 1 1   10   14   38 o  299.731   5.6709  243.625   9.1655  242.288   13.385  244.806   12.577  298.922   8.2864  300.540   7.7442 -1.617767 11.34184 
1 1 1   10   14   39 o  300.086   5.6727  244.254   9.1683  244.601   13.530  243.959   12.467  300.235   8.3396  299.938   7.6920 0.2976685 11.34531 
1 1 1   10   14   40 o  276.203   5.7075  206.905   8.4888  207.885   12.553  206.080   11.523  276.758   8.3937  275.648   7.7361 1.109955 11.41499 
1 1 1   10   14   41 o  259.475   5.6240  182.637   7.8352  183.695   11.779  181.798   10.493  260.083   8.3814  258.868   7.5014 1.215271 11.24808 
1 1 1   10   14   42 o  193.307   6.0081  102.697   6.1866   93.740   9.3237  109.742   8.2692  185.576   9.2978  201.037   7.6120 -15.46121 12.01628 
1 1 1   10   14   43 f  179.021   6.2309   87.306   5.9349   86.792   9.2213   87.670   7.7544  178.453   9.5626  179.588   7.9906 -1.135071 12.46170 
1 1 1   10   14   44 o  258.882   5.5810  182.167   7.7851  183.177   11.463  181.302   10.606  259.488   8.1754  258.276   7.5995 1.211823 11.16192 
1 1 1   10   14   45 o   84.085   11.245   19.959   4.8869   20.306   7.8087   19.735   6.2656   83.650   17.821   84.520   13.719 -0.8703384 22.48967 
1 1 1   10   14   46 o  232.082   6.9544  146.372   8.0180  150.180   14.627  144.737   9.5866  233.640   11.586  230.525   7.6959 3.115128 13.90885 
1 1 1   10   14   47 o  147.832   8.8767   55.856   6.6635   74.212   12.218   48.086   7.9498  163.453   13.833  132.211   11.128 31.24193 17.75341 
1 1 1   10   14   48 o  146.215   9.1854   60.411   7.0020   55.113   11.204   63.806   8.9696  140.269   14.781  152.160   10.909 -11.89075 18.37071 
1 1 1   10   14   49 o  227.281   6.5234  141.167   7.9679  136.225   10.649  147.455   12.011  222.926   8.8397  231.636   9.5957 -8.710297 13.04678 
1 1 1   10   14   50 o  160.323   6.8716   71.064   5.8922   68.915   8.9158   72.730   7.8510  157.923   10.448  162.723   8.9287 -4.800476 13.74329 
1 1 1   10   14   51 o  150.289   7.0175   62.859   5.6271   58.770   8.4912   66.060   7.5140  145.602   10.792  154.977   8.9726 -9.375259 14.03503 
1 1 1   10   14   52 o   56.826   11.292   7.2672   4.9022  -5.9975   7.1792   18.855   6.7101   33.849   15.821   79.803   16.115 -45.95445 22.58356 
1 1 1   10   14   53 o  120.837   8.3670   40.288   5.4175   47.881   8.2604   34.557   7.1765  130.717   11.694  110.956   11.969 19.76038 16.73400 
1 1 1   10   14   54 o  187.647   6.2827   97.417   6.3511   96.737   9.3315   98.004   8.6688  186.861   9.2416  188.434   8.5136 -1.573303 12.56534 
1 1 1   10   14   55 o   47.398   12.891   4.5252   4.9882  -0.9409   7.6989   8.4799   6.5486   40.470   17.890   54.327   18.566 -13.85713 25.78242 
1 1 1   10   14   56 o   45.193   12.955   3.0782   5.1835  -1.6325   7.7881   6.8246   6.9454   39.560   17.708   50.826   18.914 -11.26601 25.91001 
1 1 1   10   14   57 f   87.593   12.475   23.802   5.6635   23.685   8.5471   23.893   7.5620   86.660   18.793   88.526   16.412 -1.865578 24.95093 
1 1 1   10   14   58 o  108.131   10.574   35.060   6.0906   31.445   9.0409   38.064   8.2413  101.983   16.406  114.278   13.346 -12.29471 21.14841 
1 1 1   10   14   59 o   95.255   18.192   28.403   9.0223   28.403   9.0223   0.0000   0.0000   95.255   18.192  ?   ?       ?      ? 
1 1 1   10   14   60 f   85.350   13.523   24.285   6.0853   28.794   9.0478   20.560   8.2230   93.205   18.616   77.494   19.618 15.71085 27.04509 
1 1 1   10   14   61 o  160.905   7.6872   74.798   6.6679   74.214   9.7387   75.314   9.1485  159.927   11.269  161.883   10.458 -1.956558 15.37433 
1 1 1   10   14   62 o  109.021   11.785   40.551   6.1897   23.500   8.9873   55.936   8.5371   80.482   20.584  137.561   11.485 -57.07931 23.57088 
1 1 1   10   15    0 o  689.976   8.7945  1287.94   32.789  1285.61   46.408  1290.27   46.334  689.350   12.458  690.602   12.416 -1.252319 17.58900 
1 1 1   10   15    1 o  618.279   16.287  1035.14   54.414   0.0000   0.0000  1035.14   54.414  ?   ?   618.279   16.287      ?      ? 
1 1 1   10   15    2 o  329.218   8.8496  293.933   15.700  280.631   22.725  306.081   21.717  322.055   13.058  336.380   11.947 -14.32562 17.69923 
1 1 1   10   15    3 o  698.338   12.770  1321.15   48.187  1310.81   68.084  1331.53   68.209  695.594   18.113  701.082   18.005 -5.487610 25.53951 
1 1 1   10   15    4 o  327.822   9.1167  290.476   16.123  295.270   23.572  286.261   22.101  330.351   13.205  325.293   12.573 5.057343 18.23338 
1 1 1   10   15    5 o  317.043   8.7899  269.345   14.971  295.721   22.719  249.099   19.905  330.624   12.716  303.462   12.138 27.16205 17.57980 
1 1 1   10   15    7 f  869.055   12.428  2043.02   58.365   0.0000   0.0000  2043.02   58.365  ?   ?   869.055   12.428      ?      ? 
1 1 1   10   15    8 o  1031.84   12.584  2880.16   70.162   0.0000   0.0000  2880.16   70.162  ?   ?   1031.84   12.584      ?      ? 
1 1 1   10   15    9 o  482.348   6.7988  628.838   17.721   0.0000   0.0000  628.838   17.721  ?   ?   482.348   6.7988      ?      ? 
1 1 1   10   15   10 o  189.609   7.7787   97.184   7.9699   0.0000   0.0000   97.184   7.9699  ?   ?   189.609   7.7787      ?      ? 
1 1 1   10   15   11 o  605.063   11.454  990.251   37.450   0.0000   0.0000  990.251   37.450  ?   ?   605.063   11.454      ?      ? 
1 1 1   10   15   12 o  470.123   9.7810  597.644   24.848   0.0000   0.0000  597.644   24.848  ?   ?   470.123   9.7810      ?      ? 
1 1 1   10   15   14 o  277.573   5.5669  208.224   8.3498   0.0000   0.0000  208.224   8.3498  ?   ?   277.573   5.5669      ?      ? 
1 1 1   10   15   15 o  526.146   8.7088  741.306   22.972  769.369   41.398  728.821   27.613  533.140   14.370  519.152   9.8430 13.98718 17.41758 
1 1 1   10   15   16 o  672.653   10.054  1191.35   30.471  1285.58   65.555  1165.38   34.415  688.830   17.612  656.476   9.7016 32.35352 20.10711 
1 1 1   10   15   17 o  131.528   11.757   46.802   8.3564   46.802   8.3564   0.0000   0.0000  131.528   11.757  ?   ?       ?      ? 
1 1 1   10   15   18 o  340.917   5.9480  314.052   10.946  318.421   15.887  310.102   15.104  343.169   8.5674  338.666   8.2532 4.503082 11.89604 
1 1 1   10   15   19 o  296.947   5.8869  238.393   9.4389  239.270   13.630  237.586   13.084  297.467   8.4797  296.427   8.1681 1.040192 11.77381 
1 1 1   10   15   20 f  636.083   8.2838  1093.94   28.456  1065.74   39.423  1124.60   41.117  627.543   11.626  644.623   11.804 -17.08008 16.56764 
1 1 1   10   15   21 o  585.069   7.8100  926.117   24.690  917.248   34.684  935.227   35.154  582.231   11.024  587.907   11.066 -5.675476 15.61997 
1 1 1   10   15   22 o  370.362   8.5857  370.931   17.183   0.0000   0.0000  370.931   17.183  ?   ?   370.362   8.5857      ?      ? 
1 1 1   10   15   23 o  902.943   15.765  2209.78   76.923   0.0000   0.0000  2209.78   76.923  ?   ?   902.943   15.765      ?      ? 
1 1 1   10   15   24 o  209.253   6.7329  118.334   7.6038  120.703   11.075  116.222   10.458  211.227   9.7027  207.279   9.3373 3.948029 13.46582 
1 1 1   10   15   26 o  589.995   11.082  942.196   35.330   0.0000   0.0000  942.196   35.330  ?   ?   589.995   11.082      ?      ? 
1 1 1   10   15   27 o  715.604   11.306  1382.71   40.864  1370.04   49.538  1409.69   72.287  711.058   12.893  720.149   18.576 -9.090515 22.61164 
1 1 1   10   15   28 o  692.757   11.043  1292.92   38.575  1276.40   46.655  1328.60   68.583  686.348   12.579  699.165   18.153 -12.81714 22.08557 
1 1 1   10   15   29 o  392.026   9.1043  416.581   19.282  428.378   27.369  404.955   27.170  397.550   12.741  386.502   13.009 11.04785 18.20860 
1 1 1   10   15   30 o  486.797   9.9915  643.346   26.281  642.568   36.945  644.144   37.392  486.511   14.053  487.082   14.207 -0.5710449 19.98306 
1 1 1   10   15   31 o  515.745   10.316  722.522   28.740  714.865   40.076  730.631   41.239  512.958   14.458  518.532   14.718 -5.573792 20.63120 
1 1 1   10   15   32 o  685.194   12.626  1279.27   46.727  1257.88   64.918  1302.25   67.311  679.315   17.685  691.073   18.025 -11.75879 25.25186 
1 1 1   10   15   33 o  420.753   7.9216  472.878   16.478  498.423   30.547  462.395   19.569  428.320   13.198  413.187   8.7646 15.13290 15.84329 
1 1 1   10   15   34 o  479.666   6.8264  623.001   17.682  595.894   24.518  652.379   25.524  468.803   9.6784  490.528   9.6295 -21.72470 13.65277 
1 1 1   10   15   35 o  149.639   9.7673   58.517   6.6674   65.676   14.207   56.494   7.5505  154.964   16.966  144.314   9.6823 10.64928 19.53455 
1 1 1   10   15   36 o  370.612   7.4974  385.170   14.264  330.405   23.244  418.254   18.066  348.446   12.345  392.779   8.5120 -44.33307 14.99488 
1 1 1   10   15   37 o  275.304   9.7804  205.856   14.550   0.0000   0.0000  205.856   14.550  ?   ?   275.304   9.7804      ?      ? 
1 1 1   10   15   38 o  612.808   11.399  1023.03   37.748   0.0000   0.0000  1023.03   37.748  ?   ?   612.808   11.399      ?      ? 
1 1 1   10   15   39 o  278.225   5.7465  210.271   8.6109  207.170   12.652  212.947   11.753  276.260   8.4750  280.191   7.7628 -3.930969 11.49290 
1 1 1   10   15   40 o  179.708   6.3130   87.600   6.0121   88.686   9.5049   86.875   7.7623  180.532   9.7433  178.883   8.0303 1.649063 12.62605 
1 1 1   10   15   41 o   68.414   12.850   13.983   4.8738   9.8494   7.9520   16.470   6.1682   60.879   20.461   75.949   15.553 -15.06980 25.70081 
1 1 1   10   15   42 f  222.640   5.8848  135.212   7.0140  131.780   10.595  137.889   9.3586  220.009   8.9117  225.270   7.6881 -5.261017 11.76968 
1 1 1   10   15   43 o  139.922   7.4247   54.225   5.4374   50.400   8.6835   56.691   6.9739  135.591   11.852  144.253   8.9467 -8.661957 14.84933 
1 1 1   10   15   44 o  172.909   8.5399   83.303   7.4542   79.032   12.932   85.428   9.1219  168.980   14.163  176.839   9.5460 -7.858307 17.07976 
1 1 1   10   15   45 o   88.237   14.035   22.098   6.0066   24.842   11.407   21.045   7.0653   90.920   23.156   85.554   15.867 5.366165 28.07049 
1 1 1   10   15   46 o   47.767   14.086   2.5346   5.7239  -1.4667   10.858   4.0743   6.7358   48.674   21.392   46.860   18.331 1.813660 28.17169 
1 1 1   10   15   47 o  232.335   6.4907  146.665   8.1043  136.466   10.794  159.842   12.269  223.237   8.9481  241.433   9.4046 -18.19608 12.98136 
1 1 1   10   15   48 o   52.586   13.663   6.3693   4.9766   8.8917   8.1486   4.8689   6.2848   58.008   20.649   47.164   17.898 10.84372 27.32583 
1 1 1   10   15   49 o  300.695   5.8076  246.702   9.3898  257.578   14.112  238.061   12.578  306.458   8.5218  294.931   7.8925 11.52744 11.61516 
1 1 1   10   15   50 o  180.910   6.5348   88.993   6.3154   97.367   9.8530   83.154   8.2277  187.869   9.7057  173.951   8.7531 13.91737 13.06970 
1 1 1   10   15   51 o  101.041   11.380   34.135   5.3834   14.387   8.1775   49.240   7.1518   68.678   20.485  133.404   9.9211 -64.72518 22.76089 
1 1 1   10   15   52 o   58.507   13.346   8.7744   5.0613   15.984   7.9033   3.7619   6.5899   71.956   19.734   45.058   17.972 26.89745 26.69163 
1 1 1   10   15   53 o  166.459   6.9230   76.878   6.1900   78.025   9.3005   75.966   8.2937  167.334   10.286  165.585   9.2691 1.749146 13.84597 
1 1 1   10   15   54 o   33.764   11.127  -5.6484   5.0291 -10.0128   7.8840  -2.6541   6.5302   32.314   15.522   35.213   15.948 -2.898590 22.25473 
1 1 1   10   15   55 o  131.679   8.1342   48.422   5.7315   53.053   8.8767   45.112   7.5057  136.753   12.012  126.604   10.971 10.14935 16.26849 
1 1 1   10   15   56 o  161.927   7.3693   71.430   6.3256   94.404   9.8873   55.511   8.2304  183.561   9.9680  140.294   10.857 43.26773 14.73867 
1 1 1   10   15   57 o  132.740   8.9939   52.051   6.2622   39.438   8.9992   63.893   8.7196  115.549   14.413  149.930   10.763 -34.38158 17.98787 
1 1 1   10   15   59 o  103.212   11.913   33.636   6.3340   26.066   8.9475   41.240   8.9677   88.881   19.191  117.544   14.119 -28.66270 23.82539 
1 1 1   10   15   60 o  141.945   8.5192   59.532   6.4772   51.404   9.1884   67.560   9.1322  131.376   12.943  152.515   11.081 -21.13876 17.03846 
1 1 1   10   15   61 o  132.297   9.1285   53.343   6.3873   43.631   9.2707   62.120   8.8126  119.003   14.417  145.590   11.202 -26.58636 18.25704 
1 1 1   10   16    2 o  736.217   9.3394  1466.12   37.148  1445.98   51.946  1487.21   53.146  731.048   13.150  741.387   13.266 -10.33856 18.67881 
1 1 1   10   16    3 f  1256.06   15.158  4278.64  102.881  4255.73  144.817  4301.98  146.185  1252.67   21.394  1259.44   21.480 -6.767822 30.31668 
1 1 1   10   16    4 o  137.511   10.513   51.137   7.8117   51.137   7.8117   0.0000   0.0000  137.511   10.513  ?   ?       ?      ? 
1 1 1   10   16    6 o  459.246   7.8660  575.600   18.927  548.649   30.402  592.656   24.186  450.325   12.494  468.168   9.5604 -17.84265 15.73201 
1 1 1   10   16    7 o  598.844   11.257  969.982   36.426   0.0000   0.0000  969.982   36.426  ?   ?   598.844   11.257      ?      ? 
1 1 1   10   16    8 o  600.656   11.361  975.885   36.876   0.0000   0.0000  975.885   36.876  ?   ?   600.656   11.361      ?      ? 
1 1 1   10   16    9 o  1062.02   18.331  3056.34  105.197   0.0000   0.0000  3056.34  105.197  ?   ?   1062.02   18.331      ?      ? 
1 1 1   10   16   11 o  474.845   9.8143  609.724   25.183   0.0000   0.0000  609.724   25.183  ?   ?   474.845   9.8143      ?      ? 
1 1 1   10   16   12 o  180.443   10.108   88.052   9.8561   0.0000   0.0000   88.052   9.8561  ?   ?   180.443   10.108      ?      ? 
1 1 1   10   16   13 o  869.871   15.364  2048.85   72.221   0.0000   0.0000  2048.85   72.221  ?   ?   869.871   15.364      ?      ? 
1 1 1   10   16   15 o  234.969   9.3143  149.303   11.826   0.0000   0.0000  149.303   11.826  ?   ?   234.969   9.3143      ?      ? 
1 1 1   10   16   16 o  362.513   8.5037  354.987   16.637  343.243   22.848  368.243   24.274  356.150   11.872  368.877   12.178 -12.72705 17.00737 
1 1 1   10   16   17 o  350.438   8.5686  332.544   16.218  340.540   22.779  324.324   23.096  354.724   11.884  346.152   12.347 8.571960 17.13723 
1 1 1   10   16   18 o  522.336   10.274  738.483   28.986  759.459   41.725  718.919   40.296  529.494   14.583  515.178   14.475 14.31641 20.54735 
1 1 1   10   16   19 o  529.464   10.377  756.646   29.627  801.126   43.663  718.694   40.332  543.816   14.858  515.112   14.490 28.70435 20.75383 
1 1 1   10   16   20 o  607.291   11.441  998.981   37.523  982.658   52.034  1016.67   54.161  602.148   15.992  612.435   16.366 -10.28674 22.88174 
1 1 1   10   16   21 o  331.085   8.7270  296.893   15.605  307.207   22.019  286.487   22.118  336.877   12.096  325.292   12.583 11.58478 17.45401 
1 1 1   10   16   22 o  392.404   9.0925  417.080   19.275  423.874   27.110  410.135   27.410  395.648   12.681  389.159   13.035 6.489044 18.18505 
1 1 1   10   16   23 o  511.777   10.341  708.992   28.582  732.658   41.261  687.162   39.629  519.972   14.685  503.582   14.563 16.39075 20.68184 
1 1 1   10   16   24 o  576.200   11.111  900.061   34.582  891.441   48.163  909.234   49.685  573.376   15.545  579.025   15.880 -5.648804 22.22170 
1 1 1   10   16   25 o  459.483   9.6910  572.228   24.056  569.369   33.623  575.225   34.432  458.321   13.576  460.644   13.833 -2.322662 19.38202 
1 1 1   10   16   26 o  645.669   12.028  1131.84   41.951  1116.22   58.467  1148.42   60.229  641.104   16.877  650.235   17.141 -9.130676 24.05532 
1 1 1   10   16   27 o   52.005   16.215  -4.4587   8.9290  -8.1396   12.082  -0.0285   13.254   46.782   21.383   57.227   24.382 -10.44515 32.43042 
1 1 1   10   16   28 o  196.525   10.281  104.777   10.879  103.874   14.750  105.856   16.112  195.634   13.952  197.415   15.104 -1.781250 20.56175 
1 1 1   10   16   29 o  341.209   7.4147  307.976   12.573  334.459   23.255  297.039   14.945  351.148   12.256  331.270   8.3490 19.87885 14.82937 
1 1 1   10   16   30 o  529.622   10.223  760.054   29.258   0.0000   0.0000  760.054   29.258  ?   ?   529.622   10.223      ?      ? 
1 1 1   10   16   31 o  224.607   8.2033  136.580   9.9563   0.0000   0.0000  136.580   9.9563  ?   ?   224.607   8.2033      ?      ? 
1 1 1   10   16   32 f  200.325   6.5222  108.485   7.0055  110.829   10.639  106.689   9.3087  202.197   9.7368  198.453   8.6805 3.744827 13.04438 
1 1 1   10   16   33 o  203.372   8.4229  112.069   9.2564   0.0000   0.0000  112.069   9.2564  ?   ?   203.372   8.4229      ?      ? 
1 1 1   10   16   34 o  168.269   7.2373   78.774   6.4122   65.172   9.6590   89.492   8.5741  154.851   11.543  181.687   8.7332 -26.83609 14.47469 
1 1 1   10   16   35 o  333.237   5.9730  301.626   10.736  288.650   15.425  313.818   14.952  326.230   8.7504  340.244   8.1327 -14.01398 11.94609 
1 1 1   10   16   36 o  155.900   9.7556   65.486   7.0350   68.221   14.429   64.633   8.0575  157.561   16.948  154.240   9.6675 3.321823 19.51115 
1 1 1   10   16   37 o  355.869   6.0999  344.175   11.716  327.015   16.651  360.998   16.487  347.025   8.8798  364.713   8.3657 -17.68875 12.19986 
1 1 1   10   16   38 o  232.784   6.6460  145.145   8.2869  131.744   10.876  163.694   12.795  220.197   9.1405  245.370   9.6504 -25.17340 13.29209 
1 1 1   10   16   39 o  230.721   5.9966  145.699   7.4125  134.412   10.952  155.242   10.069  222.313   9.1165  239.130   7.7926 -16.81676 11.99315 
1 1 1   10   16   40 o  148.945   7.2918   58.484   5.7265   69.858   9.4400   51.862   7.2032  159.929   10.923  137.960   9.6624 21.96893 14.58362 
1 1 1   10   16   41 o   76.023   13.774   19.224   5.8894   4.8176   12.049   23.746   6.7507   59.115   24.045   92.931   13.443 -33.81630 27.54769 
1 1 1   10   16   42 o  354.183   8.1009  343.853   15.342  342.568   23.418  344.820   20.307  353.243   12.268  355.123   10.582 -1.880676 16.20187 
1 1 1   10   16   43 o  276.853   8.0057  214.837   11.691  183.986   17.742  238.514   15.543  258.344   12.709  295.362   9.7385 -37.01727 16.01141 
1 1 1   10   16   44 o   69.920   15.581   13.525   6.0496   15.052   11.744   12.973   7.0580   73.142   24.864   66.698   18.784 6.444283 31.16159 
1 1 1   10   16   45 o  101.829   10.576   30.618   5.2953   24.976   8.6677   33.978   6.6887   92.542   17.981  111.116   11.140 -18.57431 21.15221 
1 1 1   10   16   46 o   39.908   12.236  -0.2996   4.8452  -3.3763   8.0262   1.4645   6.0775   39.380   17.772   40.437   16.824 -1.056606 24.47242 
1 1 1   10   16   47 o   52.979   13.709   6.8819   5.0392   7.4162   7.9994   6.5303   6.4885   54.992   20.332   50.967   18.394 4.025681 27.41747 
1 1 1   10   16   48 o  251.744   5.9601  173.688   8.0523  174.625   12.127  172.949   10.769  252.138   8.9011  251.351   7.9285 0.7870789 11.92018 
1 1 1   10   16   49 o   70.863   13.459   14.805   5.1535   17.057   8.3532   13.422   6.5483   74.781   20.197   66.944   17.796 7.836540 26.91846 
1 1 1   10   16   50 o  287.619   5.9071  228.062   9.1486  209.998   13.087  245.325   12.794  276.199   8.7686  299.039   7.9175 -22.84070 11.81424 
1 1 1   10   16   51 o   69.479   13.478   14.972   5.2122   13.178   8.0968   16.241   6.8111   65.712   20.540   73.245   17.456 -7.533264 26.95544 
1 1 1   10   16   52 o  128.985   8.3651   45.492   5.7467   56.918   9.0224   37.693   7.4545  142.268   11.736  115.701   11.923 26.56686 16.73015 
1 1 1   10   16   53 o  246.581   6.0296  168.484   7.9953  159.651   11.696  176.233   10.954  240.184   9.0116  252.978   8.0135 -12.79384 12.05924 
1 1 1   10   16   54 o   76.971   13.208   18.175   5.3997   21.556   8.3398   15.735   7.0854   82.943   19.014   70.998   18.339 11.94477 26.41673 
1 1 1   10   16   55 o  112.512   9.6563   36.472   5.8312   37.227   8.7973   35.880   7.7879  113.152   14.388  111.873   12.883 1.278702 19.31267 
1 1 1   10   16   56 o   34.760   11.484  -6.4739   5.5548 -12.9260   8.2919  -1.2209   7.4818   30.864   15.077   38.656   17.326 -7.792051 22.96746 
1 1 1   10   16   58 o   49.202   13.676   2.9567   6.1199   13.158   8.8163  -6.5299   8.5019   62.685   21.539   35.719   16.857 26.96661 27.35145 
1 1 1   10   16   59 o   71.917   13.331   16.515   5.9885   30.844   9.1485   5.7723   7.9214   96.287   18.251   47.547   19.435 48.74001 26.66146 
1 1 1   10   16   60 o  104.978   11.564   35.642   6.2284   29.320   9.1332   41.138   8.5158   93.239   18.777  116.716   13.502 -23.47707 23.12752 
1 1 1   10   17    0 o  494.399   6.9801  660.834   18.646  650.200   26.147  671.839   26.597  490.353   9.8679  498.445   9.8748 -8.092590 13.96020 
1 1 1   10   17    2 o  1015.22   12.443  2790.50   68.229  2736.78   94.756  2848.33   98.323  1005.10   17.447  1025.33   17.746 -20.23157 24.88588 
1 1 1   10   17    3 o  783.723   9.8785  1661.69   41.822  1636.47   58.261  1688.50   60.070  777.600   13.866  789.847   14.074 -12.24622 19.75697 
1 1 1   10   17    4 o  764.913   9.7123  1583.36   40.143  1571.27   56.503  1595.69   57.042  761.965   13.723  767.861   13.747 -5.896606 19.42457 
1 1 1   10   17    5 o  579.964   9.2495  921.805   28.141  858.784   44.755  963.012   36.189  563.244   14.705  596.684   11.224 -33.43945 18.49894 
1 1 1   10   17    6 o  370.273   7.0453  376.446   13.831  335.586   21.015  407.668   18.370  352.239   11.041  388.307   8.7547 -36.06897 14.09065 
1 1 1   10   17    7 o  523.144   9.9949  740.101   28.254   0.0000   0.0000  740.101   28.254  ?   ?   523.144   9.9949      ?      ? 
1 1 1   10   17    8 o  585.461   10.864  927.093   34.368   0.0000   0.0000  927.093   34.368  ?   ?   585.461   10.864      ?      ? 
1 1 1   10   17    9 o  267.120   9.8873  192.962   14.272   0.0000   0.0000  192.962   14.272  ?   ?   267.120   9.8873      ?      ? 
1 1 1   10   17   10 o  746.249   13.516  1507.32   54.505   0.0000   0.0000  1507.32   54.505  ?   ?   746.249   13.516      ?      ? 
1 1 1   10   17   12 o  664.427   12.048  1194.65   43.257   0.0000   0.0000  1194.65   43.257  ?   ?   664.427   12.048      ?      ? 
1 1 1   10   17   13 f  434.150   6.6700  509.519   15.648   0.0000   0.0000  509.519   15.648  ?   ?   434.150   6.6700      ?      ? 
1 1 1   10   17   14 o  399.037   6.4619  430.431   13.933   0.0000   0.0000  430.431   13.933  ?   ?   399.037   6.4619      ?      ? 
1 1 1   10   17   15 o  454.287   10.228  558.304   25.108   0.0000   0.0000  558.304   25.108  ?   ?   454.287   10.228      ?      ? 
1 1 1   10   17   16 o  389.162   7.6216  414.333   15.266  394.369   25.552  425.415   19.036  381.704   12.388  396.619   8.8822 -14.91510 15.24328 
1 1 1   10   17   17 o  436.269   13.187  515.315   31.088  515.315   31.088   0.0000   0.0000  436.269   13.187  ?   ?       ?      ? 
1 1 1   10   17   18 o  378.215   7.7277  384.701   14.936  394.369   25.861  379.862   18.296  381.668   12.540  374.763   9.0349 6.904816 15.45536 
1 1 1   10   17   19 o  664.272   17.312  1197.07   62.140  1197.07   62.140   0.0000   0.0000  664.272   17.312  ?   ?       ?      ? 
1 1 1   10   17   20 o  921.922   14.041  2296.13   65.400  2344.59  115.668  2273.35   79.291  928.169   23.062  915.675   16.025 12.49432 28.08298 
1 1 1   10   17   21 o  806.324   12.488  1752.51   50.790  1797.07   90.201  1731.83   61.459  813.164   20.528  799.484   14.226 13.68042 24.97568 
1 1 1   10   17   22 o  363.483   6.5203  356.504   12.773  369.778   18.889  345.322   17.338  369.688   9.4555  357.278   8.9805 12.40930 13.04053 
1 1 1   10   17   24 o  422.771   9.1562  483.643   20.917   0.0000   0.0000  483.643   20.917  ?   ?   422.771   9.1562      ?      ? 
1 1 1   10   17   25 o  196.430   9.8534  104.446   10.459   0.0000   0.0000  104.446   10.459  ?   ?   196.430   9.8534      ?      ? 
1 1 1   10   17   26 f  430.870   6.6424  499.711   15.420  459.483   20.907  547.700   22.835  411.964   9.3918  449.776   9.3956 -37.81122 13.28471 
1 1 1   10   17   27 o  513.789   10.143  715.141   28.161   0.0000   0.0000  715.141   28.161  ?   ?   513.789   10.143      ?      ? 
1 1 1   10   17   28 o  129.303   12.637   45.371   8.8293   0.0000   0.0000   45.371   8.8293  ?   ?   129.303   12.637      ?      ? 
1 1 1   10   17   30 o  443.942   9.2198  534.022   22.117   0.0000   0.0000  534.022   22.117  ?   ?   443.942   9.2198      ?      ? 
1 1 1   10   17   31 o  132.663   9.0861   48.365   6.3985   44.823   9.8120   50.986   8.4400  128.301   14.153  137.024   11.399 -8.723236 18.17227 
1 1 1   10   17   32 o  217.735   6.5354  129.363   7.6345  120.013   11.228  137.403   10.412  210.315   9.8797  225.155   8.5578 -14.84052 13.07073 
1 1 1   10   17   33 o  321.047   8.1490  279.365   14.137   0.0000   0.0000  279.365   14.137  ?   ?   321.047   8.1490      ?      ? 
1 1 1   10   17   34 o   74.998   13.276   13.789   5.7284   27.488   9.3496   5.5565   7.2483   98.473   18.243   51.523   19.293 46.94988 26.55211 
1 1 1   10   17   35 o  348.277   6.1106  329.712   11.478  320.985   16.621  337.668   15.870  343.806   8.9466  352.747   8.3255 -8.940826 12.22114 
1 1 1   10   17   36 o  333.596   8.1347  301.962   14.664   0.0000   0.0000  301.962   14.664  ?   ?   333.596   8.1347      ?      ? 
1 1 1   10   17   37 o  449.120   8.2037  567.235   19.219  468.919   29.716  637.929   25.198  413.956   13.285  484.284   9.6291 -70.32770 16.40742 
1 1 1   10   17   38 o  234.649   8.6701  154.293   10.520  136.914   17.038  165.000   13.374  223.229   14.125  246.069   10.058 -22.84018 17.34012 
1 1 1   10   17   39 o  417.625   8.9658  479.869   20.155  456.306   29.349  500.901   27.728  407.566   13.326  427.684   11.998 -20.11823 17.93163 
1 1 1   10   17   40 o  288.739   8.1815  232.088   12.457  208.108   19.263  249.324   16.331  275.219   12.953  302.258   9.9989 -27.03958 16.36303 
1 1 1   10   17   41 o  252.770   8.0851  175.006   10.633  175.721   17.596  174.595   13.346  252.683   12.887  252.858   9.7672 -0.1744995 16.17023 
1 1 1   10   17   42 o  220.679   6.1069  131.198   7.2038  143.892   11.214  122.277   9.4000  229.553   9.0401  211.805   8.2130 17.74728 12.21382 
1 1 1   10   17   43 o  385.347   8.5446  405.325   17.792   0.0000   0.0000  405.325   17.792  ?   ?   385.347   8.5446      ?      ? 
1 1 1   10   17   44 o  115.938   8.9923   37.384   5.4571   36.525   8.8296   37.915   6.9415  114.490   14.272  117.386   10.943 -2.896225 17.98459 
1 1 1   10   17   45 o  361.806   6.1472  358.643   12.007  340.661   16.979  376.629   16.981  352.608   8.9111  371.004   8.4702 -18.39630 12.29445 
1 1 1   10   17   46 o  121.024   8.8477   40.220   5.6625   43.292   9.1190   38.293   7.2239  124.430   13.562  117.618   11.366 6.812561 17.69535 
1 1 1   10   17   47 o  134.673   8.4453   53.072   5.8029   39.865   9.0657   62.239   7.5530  118.957   14.103  150.389   9.2943 -31.43211 16.89051 
1 1 1   10   17   48 o  116.627   9.0430   38.006   5.5304   38.511   8.9860   37.697   7.0167  116.751   14.244  116.502   11.146 0.2491913 18.08604 
1 1 1   10   17   49 f  201.310   6.3863  111.776   6.8662  111.299   10.525  112.129   9.0597  200.625   9.7081  201.995   8.3001 -1.369934 12.77261 
1 1 1   10   17   50 o  209.326   6.4280  121.363   7.1870  118.894   10.962  123.225   9.5185  207.081   9.7958  211.570   8.3258 -4.488602 12.85603 
1 1 1   10   17   51 o   96.577   11.187   27.129   5.5961   28.693   8.8856   26.101   7.2043   97.594   17.492   95.561   13.952 2.033356 22.37413 
1 1 1   10   17   52 o  243.081   6.1554  163.313   8.0227  163.007   12.108  163.552   10.711  242.536   9.2390  243.626   8.1363 -1.089844 12.31089 
1 1 1   10   17   53 o  105.379   11.375   35.191   5.8347   22.517   8.8144   45.075   7.7843   84.408   19.686  126.351   11.401 -41.94297 22.74965 
1 1 1   10   17   54 o  172.036   7.1583   83.912   6.5698   71.633   9.5170   95.091   9.0805  159.270   11.058  184.802   9.0931 -25.53261 14.31660 
1 1 1   10   17   55 o   72.942   13.821   16.714   5.7972   25.323   8.8290   10.189   7.6862   88.702   18.993   57.181   20.085 31.52108 27.64273 
1 1 1   10   17   56 o   82.068   19.294   21.621   8.4121   0.0000   0.0000   21.621   8.4121  ?   ?    82.068   19.294      ?      ? 
1 1 1   10   17   57 o   37.462   12.239  -6.1777   5.9768   1.4341   8.8466 -12.5696   8.1068   44.452   19.428   30.472   14.890 13.97969 24.47793 
1 1 1   10   17   58 o  114.070   10.527   40.336   6.4640   38.182   9.3379   42.318   8.9568  110.373   15.657  117.767   14.075 -7.393433 21.05306 
1 1 1   10   17   59 o   55.566   14.704   10.305   5.9497   9.8257   8.8345   10.702   8.0485   54.881   21.125   56.251   20.458 -1.370384 29.40704 
1 1 1   10   18    0 o  429.036   6.6730  497.795   15.465  496.486   22.149  499.041   21.603  428.480   9.5663  429.591   9.3061 -1.111237 13.34601 
1 1 1   10   18    2 o  896.968   11.162  2178.36   54.088  2145.73   75.473  2212.82   77.553  890.077   15.692  903.860   15.879 -13.78247 22.32410 
1 1 1   10   18    3 o  595.377   11.366  958.976   36.567   0.0000   0.0000  958.976   36.567  ?   ?   595.377   11.366      ?      ? 
1 1 1   10   18    4 o  1027.79   17.866  2863.47   99.223   0.0000   0.0000  2863.47   99.223  ?   ?   1027.79   17.866      ?      ? 
1 1 1   10   18    5 o  192.224   7.2192  100.329   6.8535   98.986   12.529  100.902   8.1871  191.260   12.123  193.188   7.8426 -1.928528 14.43841 
1 1 1   10   18    6 o  495.318   7.8821  664.491   18.765  662.162   35.973  665.361   21.995  494.569   13.460  496.068   8.2052 -1.499390 15.76419 
1 1 1   10   18    7 o  480.203   10.351  623.780   26.860   0.0000   0.0000  623.780   26.860  ?   ?   480.203   10.351      ?      ? 
1 1 1   10   18    8 o  702.330   9.0736  1334.00   34.436   0.0000   0.0000  1334.00   34.436  ?   ?   702.330   9.0736      ?      ? 
1 1 1   10   18    9 f  568.540   11.188  874.648   34.371   0.0000   0.0000  874.648   34.371  ?   ?   568.540   11.188      ?      ? 
1 1 1   10   18   10 o  253.876   9.5932  174.336   13.160   0.0000   0.0000  174.336   13.160  ?   ?   253.876   9.5932      ?      ? 
1 1 1   10   18   11 o  343.979   7.4919  319.902   13.926   0.0000   0.0000  319.902   13.926  ?   ?   343.979   7.4919      ?      ? 
1 1 1   10   18   12 o  537.276   10.375  780.922   30.122   0.0000   0.0000  780.922   30.122  ?   ?   537.276   10.375      ?      ? 
1 1 1   10   18   13 o  242.807   6.7763  159.374   8.8908   0.0000   0.0000  159.374   8.8908  ?   ?   242.807   6.7763      ?      ? 
1 1 1   10   18   14 o  1003.42   17.598  2730.77   95.422   0.0000   0.0000  2730.77   95.422  ?   ?   1003.42   17.598      ?      ? 
1 1 1   10   18   15 o  640.656   10.007  1110.40   34.642   0.0000   0.0000  1110.40   34.642  ?   ?   640.656   10.007      ?      ? 
1 1 1   10   18   16 o  638.156   9.7054  1101.72   33.468   0.0000   0.0000  1101.72   33.468  ?   ?   638.156   9.7054      ?      ? 
1 1 1   10   18   17 o  420.157   8.1400  467.799   16.925  502.703   31.469  453.594   20.075  430.808   13.518  409.506   9.0723 21.30237 16.28005 
1 1 1   10   18   18 o  740.660   10.945  1483.65   37.730  1493.92   76.157  1480.30   43.435  741.732   19.001  739.588   10.868 2.143921 21.88966 
1 1 1   10   18   20 o  307.802   6.5086  256.550   10.817  248.095   15.418  264.745   15.180  302.793   9.4232  312.810   8.9806 -10.01727 13.01721 
1 1 1   10   18   21 f  462.297   6.9865  578.438   17.450  579.405   24.935  577.511   24.428  462.668   9.9737  461.927   9.7863 0.7414551 13.97303 
1 1 1   10   18   23 o  172.518   11.669   80.638   10.878   0.0000   0.0000   80.638   10.878  ?   ?   172.518   11.669      ?      ? 
1 1 1   10   18   26 o  551.166   10.701  823.375   31.870   0.0000   0.0000  823.375   31.870  ?   ?   551.166   10.701      ?      ? 
1 1 1   10   18   27 o  319.597   8.5601  276.575   14.783   0.0000   0.0000  276.575   14.783  ?   ?   319.597   8.5601      ?      ? 
1 1 1   10   18   28 o  478.209   6.9888  619.660   18.056  603.400   25.263  636.638   25.816  471.795   9.9094  484.623   9.8580 -12.82834 13.97770 
1 1 1   10   18   29 o   98.659   12.359   26.763   6.4247   30.764   9.6132   23.534   8.6369  106.131   16.762   91.187   18.166 14.94395 24.71818 
1 1 1   10   18   30 o  178.599   9.9561   86.548   9.6085   0.0000   0.0000   86.548   9.6085  ?   ?   178.599   9.9561      ?      ? 
1 1 1   10   18   31 o  311.456   8.2512  262.927   13.887   0.0000   0.0000  262.927   13.887  ?   ?   311.456   8.2512      ?      ? 
1 1 1   10   18   32 o  192.190   9.2444  100.250   9.6006   0.0000   0.0000  100.250   9.6006  ?   ?   192.190   9.2444      ?      ? 
1 1 1   10   18   33 o  199.185   8.9805  107.728   9.6659   0.0000   0.0000  107.728   9.6659  ?   ?   199.185   8.9805      ?      ? 
1 1 1   10   18   34 o  229.003   6.4315  143.255   7.9093  132.600   11.562  152.625   10.843  220.873   9.6876  237.132   8.4621 -16.25938 12.86296 
1 1 1   10   18   35 o  219.680   8.7000  138.675   9.1418  116.261   16.802  148.101   10.896  205.831   15.107  233.529   8.6342 -27.69742 17.40001 
1 1 1   10   18   36 o   74.890   16.486   16.600   7.6971   5.8671   14.084   21.171   9.1912   64.283   26.051   85.497   20.213 -21.21406 32.97298 
1 1 1   10   18   37 o   55.391   16.255   2.7961   7.1601   5.3694   13.981   1.8813   8.3363   63.286   25.839   47.497   19.728 15.78874 32.50925 
1 1 1   10   18   38 o  177.677   10.155   89.382   8.9033   80.878   15.870   93.288   10.755  170.577   17.217  184.778   10.772 -14.20097 20.30913 
1 1 1   10   18   39 o  143.384   12.084   56.396   9.3624   0.0000   0.0000   56.396   9.3624  ?   ?   143.384   12.084      ?      ? 
1 1 1   10   18   40 o  305.566   6.0596  254.778   9.9745  250.813   14.630  258.221   13.635  303.227   8.9287  307.904   8.1949 -4.677032 12.11928 
1 1 1   10   18   41 o   62.212   14.240   10.434   5.3281   12.942   8.7556   8.9597   6.7145   67.313   21.401   57.110   18.790 10.20241 28.47916 
1 1 1   10   18   42 o  322.419   8.1422  283.563   14.186   0.0000   0.0000  283.563   14.186  ?   ?   322.419   8.1422      ?      ? 
1 1 1   10   18   43 f  202.969   6.4707  113.662   7.0073  106.647   10.594  119.120   9.3432  197.114   9.9459  208.824   8.2799 -11.71080 12.94131 
1 1 1   10   18   44 o  238.654   7.9655  155.671   10.272   0.0000   0.0000  155.671   10.272  ?   ?   238.654   7.9655      ?      ? 
1 1 1   10   18   45 o  233.106   6.2322  148.909   7.7486  149.816   11.969  148.255   10.167  233.440   9.4883  232.771   8.0829 0.6684113 12.46437 
1 1 1   10   18   46 o  429.300   9.1189  507.037   21.154   0.0000   0.0000  507.037   21.154  ?   ?   429.300   9.1189      ?      ? 
1 1 1   10   18   47 o   84.153   12.470   20.331   5.3758   25.259   8.7831   17.379   6.7979   91.890   18.331   76.417   16.910 15.47231 24.93964 
1 1 1   10   18   48 o  100.160   10.905   29.536   5.4967   27.252   8.9448   30.922   6.9674   95.333   18.024  104.987   12.281 -9.654076 21.81043 
1 1 1   10   18   49 f  156.598   9.4629   67.903   8.0076   0.0000   0.0000   67.903   8.0076  ?   ?   156.598   9.4629      ?      ? 
1 1 1   10   18   50 o  331.845   8.3344  303.706   14.945   0.0000   0.0000  303.706   14.945  ?   ?   331.845   8.3344      ?      ? 
1 1 1   10   18   51 f  174.499   7.1724   86.098   6.6218   77.316   10.124   92.664   8.7537  165.975   11.289  183.024   8.8511 -17.04919 14.34475 
1 1 1   10   18   52 o  188.915   7.0646  101.471   7.0777   86.027   10.477  114.437   9.5997  174.722   11.096  203.109   8.7467 -28.38745 14.12919 
1 1 1   10   18   53 o   45.652   12.800   1.3046   5.6306 -10.1199   8.5483   10.059   7.4832   33.685   16.175   57.619   19.841 -23.93336 25.59916 
1 1 1   10   18   54 o   58.229   14.772   10.326   5.8869   12.770   8.9439   8.4580   7.8196   62.545   21.683   53.914   20.068 8.631573 29.54447 
1 1 1   10   18   55 o  159.922   8.2133   72.888   7.0412   73.087   10.638   72.732   9.3935  159.581   12.336  160.262   10.847 -0.6803284 16.42661 
1 1 1   10   18   56 o  104.400   12.036   34.315   6.4697   31.368   9.9007   36.512   8.5469   98.013   19.380  110.787   14.277 -12.77367 24.07133 
1 1 1   10   18   57 o   98.669   12.117   31.236   6.2879   36.306   9.3348   27.025   8.5076  107.286   16.102   90.052   18.111 17.23426 24.23388 
1 1 1   10   18   58 o   46.251   13.867   4.2514   5.9990   5.4866   8.8304   3.1927   8.1751   48.246   20.194   44.256   19.009 3.990124 27.73321 
1 1 1   10   19    1 o  524.558   7.6576  742.290   21.668  781.842   31.816  708.078   29.590  537.543   10.953  511.574   10.704 25.96887 15.31527 
1 1 1   10   19    3 o  524.582   10.737  744.547   30.435   0.0000   0.0000  744.547   30.435  ?   ?   524.582   10.737      ?      ? 
1 1 1   10   19    4 o  898.045   13.502  2214.74   63.215  2084.69  102.396  2294.83   80.357  875.929   21.634  920.161   16.161 -44.23169 27.00360 
1 1 1   10   19    5 o  583.714   9.5007  916.565   28.123  939.865   49.447  905.424   34.193  588.950   15.537  578.478   10.938 10.47205 19.00137 
1 1 1   10   19    6 o  737.194   10.971  1470.42   43.704   0.0000   0.0000  1470.42   43.704  ?   ?   737.194   10.971      ?      ? 
1 1 1   10   19    7 o  375.608   6.6240  381.376   13.444   0.0000   0.0000  381.376   13.444  ?   ?   375.608   6.6240      ?      ? 
1 1 1   10   19    8 o  565.430   9.1092  864.666   27.832   0.0000   0.0000  864.666   27.832  ?   ?   565.430   9.1092      ?      ? 
1 1 1   10   19    9 o  684.700   12.923  1269.27   47.813   0.0000   0.0000  1269.27   47.813  ?   ?   684.700   12.923      ?      ? 
1 1 1   10   19   10 o  534.575   8.7322  772.865   25.224   0.0000   0.0000  772.865   25.224  ?   ?   534.575   8.7322      ?      ? 
1 1 1   10   19   11 o  709.398   10.605  1361.74   40.651   0.0000   0.0000  1361.74   40.651  ?   ?   709.398   10.605      ?      ? 
1 1 1   10   19   12 o  465.162   7.1905  585.027   18.074   0.0000   0.0000  585.027   18.074  ?   ?   465.162   7.1905      ?      ? 
1 1 1   10   19   13 o  474.551   10.756  609.414   27.582   0.0000   0.0000  609.414   27.582  ?   ?   474.551   10.756      ?      ? 
1 1 1   10   19   14 o  360.462   8.8549  351.435   17.248   0.0000   0.0000  351.435   17.248  ?   ?   360.462   8.8549      ?      ? 
1 1 1   10   19   15 o  241.795   7.3770  158.086   9.6386   0.0000   0.0000  158.086   9.6386  ?   ?   241.795   7.3770      ?      ? 
1 1 1   10   19   16 o  857.190   12.387  1990.15   57.376   0.0000   0.0000  1990.15   57.376  ?   ?   857.190   12.387      ?      ? 
1 1 1   10   19   17 o  988.422   15.015  2642.21   74.726  2711.71  133.133  2610.25   90.291  996.454   24.725  980.390   17.043 16.06354 30.03016 
1 1 1   10   19   18 o  534.521   8.7286  767.458   21.573  786.937   44.171  761.356   24.722  538.559   15.178  530.483   8.6244 8.076355 17.45721 
1 1 1   10   19   19 o  596.262   9.9985  921.913   29.046  1061.94   56.288  871.096   33.909  625.347   16.657  567.177   11.064 58.17053 19.99696 
1 1 1   10   19   20 o  318.988   6.5902  274.939   11.343  283.412   16.590  267.502   15.543  323.585   9.4880  314.391   9.1488 9.193817 13.18042 
1 1 1   10   19   23 o  565.294   7.8542  865.208   23.976  836.743   33.187  896.284   34.677  555.589   11.054  574.998   11.160 -19.40948 15.70834 
1 1 1   10   19   26 f  274.393   6.4169  204.010   9.5046  204.088   13.760  203.939   13.144  274.425   9.2792  274.361   8.8659 0.6402588E-01 12.83385 
1 1 1   10   19   27 o  174.671   7.8871   83.248   7.4032   77.742   10.821   88.094   10.151  169.160   11.838  180.182   10.426 -11.02219 15.77423 
1 1 1   10   19   28 o  136.670   9.7102   51.217   7.0981   48.137   10.637   53.690   9.5307  132.850   14.817  140.490   12.554 -7.639542 19.42040 
1 1 1   10   19   29 o  262.838   8.8420  187.339   12.558   0.0000   0.0000  187.339   12.558  ?   ?   262.838   8.8420      ?      ? 
1 1 1   10   19   30 o  146.451   11.872   58.381   9.3949   0.0000   0.0000   58.381   9.3949  ?   ?   146.451   11.872      ?      ? 
1 1 1   10   19   31 o  193.141   11.597  125.595   9.4556   61.486   17.249  153.137   11.306  148.771   21.456  237.510   8.8091 -88.73842 23.19380 
1 1 1   10   19   32 o  245.748   9.3915  165.215   12.024  164.234   19.791  165.788   15.139  244.801   14.961  246.696   11.356 -1.895233 18.78299 
1 1 1   10   19   33 o  168.682   11.575   78.954   9.8804   76.216   17.145   80.315   12.090  165.930   19.122  171.435   13.051 -5.505234 23.15087 
1 1 1   10   19   34 o   99.020   16.757   31.049   8.9321   17.347   15.768   37.523   10.839   81.513   28.755  116.528   17.213 -35.01527 33.51330 
1 1 1   10   19   35 o  275.327   9.1220  211.949   13.190  187.320   20.524  229.279   17.216  260.883   14.559  289.770   10.995 -28.88663 18.24407 
1 1 1   10   19   36 o   54.167   14.539   6.1386   5.8366   5.6484   8.8874   6.5103   7.7395   54.468   21.126   53.867   19.982 0.6004639 29.07887 
1 1 1   10   19   37 o   99.605   11.243   26.815   5.7926   36.125   9.1861   20.670   7.4634  114.353   14.866   84.857   16.871 29.49667 22.48601 
1 1 1   10   19   38 o  252.880   8.2849  182.863   9.9331  159.482   18.710  192.040   11.721  240.154   14.417  265.607   8.1668 -25.45201 16.56988 
1 1 1   10   19   39 o   76.241   13.654   17.870   5.8539   10.429   9.0811   23.161   7.6572   62.722   21.842   89.759   16.391 -27.03697 27.30852 
1 1 1   10   19   40 o   78.500   12.022   15.086   6.1233   36.367   9.3647  -0.8088   8.0932  114.191   15.176   42.809   18.649 71.38194 24.04431 
1 1 1   10   19   41 o  346.601   6.2590  328.788   11.708  314.556   16.696  342.561   16.424  339.091   9.1117  354.111   8.5834 -15.01974 12.51792 
1 1 1   10   19   42 o  213.993   6.5609  127.301   7.4774  108.157   10.920  144.201   10.260  198.312   10.190  229.674   8.2670 -31.36270 13.12190 
1 1 1   10   19   43 f   72.467   13.769   16.308   5.5472   11.857   9.1528   18.892   6.9741   64.678   21.950   80.256   16.628 -15.57808 27.53716 
1 1 1   10   19   44 o  245.510   6.2795  166.798   8.2392  154.871   12.328  176.426   11.076  237.176   9.6191  253.843   8.0749 -16.66656 12.55908 
1 1 1   10   19   45 o  178.279   7.0932   89.132   6.6948   79.648   10.206   96.294   8.8694  169.366   11.152  187.191   8.7684 -17.82480 14.18648 
1 1 1   10   19   46 o   65.384   14.251   12.301   5.3825   15.446   8.9297   10.506   6.7457   71.028   21.456   59.740   18.760 11.28866 28.50113 
1 1 1   10   19   47 o   85.183   12.695   22.844   5.5582   17.165   9.1275   26.191   7.0073   74.170   21.515   96.196   13.480 -22.02656 25.38926 
1 1 1   10   19   48 f  256.720   8.0418  181.343   11.156   0.0000   0.0000  181.343   11.156  ?   ?   256.720   8.0418      ?      ? 
1 1 1   10   19   49 o  130.379   8.8449   47.955   6.0574   48.588   9.7929   47.563   7.7090  130.391   13.899  130.367   10.943 0.2333069E-01 17.68981 
1 1 1   10   19   50 o   95.598   11.577   27.136   5.7510   26.766   8.8673   27.405   7.5555   93.582   18.190   97.614   14.324 -4.031746 23.15316 
1 1 1   10   19   51 o  172.804   7.4056   83.825   6.8456   83.519   10.422   84.058   9.0788  172.059   11.209  173.549   9.6809 -1.490128 14.81111 
1 1 1   10   19   52 o   49.222   13.954   5.3669   5.6380   4.2662   8.6583   6.1772   7.4287   48.633   20.145   49.811   19.316 -1.177540 27.90892 
1 1 1   10   19   53 o  188.831   7.2203  101.318   7.2895   96.307   10.958  105.296   9.7632  183.931   11.025  193.731   9.3262 -9.800034 14.44061 
1 1 1   10   19   54 o  171.086   10.446   82.594   9.6574   0.0000   0.0000   82.594   9.6574  ?   ?   171.086   10.446      ?      ? 
1 1 1   10   19   55 o  142.919   8.8944   59.806   6.7973   60.325   10.379   59.417   8.9943  142.645   13.466  143.194   11.624 -0.5498047 17.78885 
1 1 1   10   19   56 o  147.588   8.6638   63.464   6.8634   73.219   10.423   55.996   9.1196  157.471   12.249  137.704   12.256 19.76709 17.32753 
1 1 1   10   19   57 o  106.313   11.210   35.569   6.3768   35.235   9.6314   35.829   8.5088  104.725   17.020  107.901   14.593 -3.175720 22.41950 
1 1 1   10   20    0 o  489.436   10.388  648.139   27.475  648.139   27.475   0.0000   0.0000  489.436   10.388  ?   ?       ?      ? 
1 1 1   10   20    4 o  698.558   10.256  1350.34   34.969  1255.86   64.184  1390.23   41.702  680.361   17.458  716.755   10.767 -36.39368 20.51139 
1 1 1   10   20    5 o  232.433   7.2655  150.703   8.4322  133.941   14.689  158.942   10.298  222.425   12.221  242.441   7.8607 -20.01607 14.53101 
1 1 1   10   20    6 o  584.566   8.1528  924.108   25.753   0.0000   0.0000  924.108   25.753  ?   ?   584.566   8.1528      ?      ? 
1 1 1   10   20    7 o  510.649   11.702  705.859   32.291   0.0000   0.0000  705.859   32.291  ?   ?   510.649   11.702      ?      ? 
1 1 1   10   20    8 f  682.268   12.906  1260.54   47.581   0.0000   0.0000  1260.54   47.581  ?   ?   682.268   12.906      ?      ? 
1 1 1   10   20    9 o  586.478   9.4080  930.453   29.815   0.0000   0.0000  930.453   29.815  ?   ?   586.478   9.4080      ?      ? 
1 1 1   10   20   10 o  792.462   14.598  1701.93   62.512   0.0000   0.0000  1701.93   62.512  ?   ?   792.462   14.598      ?      ? 
1 1 1   10   20   11 o  278.213   11.338  209.542   17.046   0.0000   0.0000  209.542   17.046  ?   ?   278.213   11.338      ?      ? 
1 1 1   10   20   12 o  299.621   7.7754  242.797   12.589   0.0000   0.0000  242.797   12.589  ?   ?   299.621   7.7754      ?      ? 
1 1 1   10   20   13 o  475.441   9.7486  611.767   25.045   0.0000   0.0000  611.767   25.045  ?   ?   475.441   9.7486      ?      ? 
1 1 1   10   20   14 o  713.183   12.943  1378.42   49.880   0.0000   0.0000  1378.42   49.880  ?   ?   713.183   12.943      ?      ? 
1 1 1   10   20   15 o  205.659   7.8101  114.402   8.6795   0.0000   0.0000  114.402   8.6795  ?   ?   205.659   7.8101      ?      ? 
1 1 1   10   20   16 o  865.731   12.506  2031.02   58.504   0.0000   0.0000  2031.02   58.504  ?   ?   865.731   12.506      ?      ? 
1 1 1   10   20   17 o  233.197   7.3718  147.097   9.2893   0.0000   0.0000  147.097   9.2893  ?   ?   233.197   7.3718      ?      ? 
1 1 1   10   20   18 o  156.224   9.8265   66.638   7.5607   65.293   13.856   67.208   9.0223  154.943   16.549  157.505   10.601 -2.561737 19.65296 
1 1 1   10   20   19 o  279.293   7.1731  209.130   9.3990  215.743   18.862  206.945   10.841  282.018   12.377  276.568   7.2539 5.449951 14.34614 
1 1 1   10   20   21 o  314.810   6.6720  268.494   11.347  261.366   16.058  275.602   16.035  310.625   9.5671  318.995   9.3025 -8.370148 13.34409 
1 1 1   10   20   22 o  546.005   10.794  808.299   31.847   0.0000   0.0000  808.299   31.847  ?   ?   546.005   10.794      ?      ? 
1 1 1   10   20   25 o  366.716   6.5304  364.673   12.938  356.630   18.301  372.709   18.294  362.659   9.3388  370.774   9.1308 -8.114532 13.06080 
1 1 1   10   20   26 o  339.442   9.0873  312.451   16.668   0.0000   0.0000  312.451   16.668  ?   ?   339.442   9.0873      ?      ? 
1 1 1   10   20   27 o  454.664   8.7248  569.631   20.093  542.117   34.714  583.492   24.640  445.698   14.414  463.631   9.8351 -17.93311 17.44962 
1 1 1   10   20   28 o  288.396   9.3636  228.265   14.488  211.892   21.308  242.342   19.758  278.523   14.158  298.270   12.258 -19.74628 18.72713 
1 1 1   10   20   29 o  231.468   10.127  147.493   12.282  142.838   19.796  150.405   15.660  228.106   16.061  234.831   12.341 -6.725220 20.25418 
1 1 1   10   20   30 o  187.048   12.250  101.958   11.602   75.608   18.387  119.392   14.956  165.054   20.615  209.043   13.240 -43.98871 24.50076 
1 1 1   10   20   31 o  457.612   9.9571  560.501   24.344  477.703   31.801  677.703   37.836  417.701   14.089  497.522   14.073 -79.82147 19.91419 
1 1 1   10   20   32 f  168.112   9.4242   75.043   8.4057   65.559   10.714   90.225   13.556  154.804   12.808  181.420   13.828 -26.61589 18.84843 
1 1 1   10   20   33 o  275.311   8.6990  206.140   12.941   0.0000   0.0000  206.140   12.941  ?   ?   275.311   8.6990      ?      ? 
1 1 1   10   20   34 o  515.458   10.260  725.015   28.578   0.0000   0.0000  725.015   28.578  ?   ?   515.458   10.260      ?      ? 
1 1 1   10   20   35 o  324.245   6.3274  286.155   11.059  259.695   15.409  314.263   15.882  308.712   9.2370  339.778   8.6501 -31.06580 12.65485 
1 1 1   10   20   36 o  163.948   10.311   73.467   9.1347   0.0000   0.0000   73.467   9.1347  ?   ?   163.948   10.311      ?      ? 
1 1 1   10   20   37 o  166.597   7.6873   76.360   6.8493   74.216   10.375   78.016   9.1191  164.328   11.684  168.867   9.9936 -4.538513 15.37461 
1 1 1   10   20   38 o  213.691   8.8264  124.695   10.192   0.0000   0.0000  124.695   10.192  ?   ?   213.691   8.8264      ?      ? 
1 1 1   10   20   39 o  175.814   10.130   85.123   8.0291   87.658   16.972   84.393   9.1134  176.072   17.838  175.555   9.6068 0.5171814 20.26083 
1 1 1   10   20   40 o   71.710   15.206   15.321   6.4001   13.062   9.6036   17.126   8.5841   67.666   22.482   75.753   20.480 -8.086670 30.41144 
1 1 1   10   20   41 f   52.058   13.626   1.2182   6.0641   14.498   9.2074  -8.9550   8.0587   69.957   21.909   34.160   16.208 35.79665 27.25262 
1 1 1   10   20   42 o  191.427   7.4247  105.285   7.3528   78.708   11.090  126.133   9.8220  168.273   12.196  214.581   8.4708 -46.30705 14.84936 
1 1 1   10   20   43 o  143.893   8.4360   58.043   6.4279   55.657   10.021   59.711   8.3788  140.895   13.162  146.891   10.556 -5.995697 16.87200 
1 1 1   10   20   44 o  271.275   6.2326  203.035   9.0833  194.584   13.418  210.183   12.341  265.757   9.3435  276.794   8.2510 -11.03696 12.46515 
1 1 1   10   20   45 o  140.104   8.5635   55.012   6.2972   54.735   10.160   55.185   8.0245  139.218   13.505  140.990   10.533 -1.771271 17.12705 
1 1 1   10   20   46 o  254.604   8.2688  178.377   11.376   0.0000   0.0000  178.377   11.376  ?   ?   254.604   8.2688      ?      ? 
1 1 1   10   20   47 o  224.322   8.2484  138.680   9.9984   0.0000   0.0000  138.680   9.9984  ?   ?   224.322   8.2484      ?      ? 
1 1 1   10   20   48 o   48.642   13.514   4.9244   5.3260   1.1628   8.4434   7.4102   6.8639   44.908   19.305   52.377   18.916 -7.469681 27.02757 
1 1 1   10   20   49 o  129.779   8.9080   47.536   6.1615   50.192   9.6337   45.697   8.0152  132.356   13.470  127.202   11.661 5.153770 17.81609 
1 1 1   10   20   50 o  135.548   8.8483   52.487   6.4119   51.586   9.7401   53.177   8.5178  133.965   13.455  137.131   11.495 -3.166016 17.69665 
1 1 1   10   20   51 o   72.023   14.375   16.441   5.7782   21.144   9.1918   13.368   7.4297   79.752   21.029   64.294   19.605 15.45795 28.75010 
1 1 1   10   20   52 o   55.034   13.582   3.9162   6.0516   19.423   9.4355  -6.9203   7.8876   75.898   21.834   34.170   16.160 41.72738 27.16413 
1 1 1   10   20   53 o  105.295   11.731   32.461   6.5522   38.078   10.562   28.947   8.3543  111.928   17.462   98.662   15.670 13.26562 23.46237 
1 1 1   10   20   54 o   92.519   13.502   28.513   6.4641   30.666   9.9730   26.952   8.4886   94.554   20.136   90.484   17.994 4.069275 27.00491 
1 1 1   10   20   55 o  180.494   7.7040   94.820   7.4444   82.941   10.703  105.952   10.361  168.497   11.755  192.492   9.9610 -23.99510 15.40806 
1 1 1   10   20   56 o  133.856   9.7333   55.458   6.8943   46.770   10.135   62.940   9.4058  122.053   15.367  145.659   11.950 -23.60601 19.46669 
1 1 1   10   21    1 o  118.934   12.955   40.350   7.7713   27.265   11.117   52.855   10.868   98.220   21.539  139.647   14.402 -41.42663 25.91016 
1 1 1   10   21    3 o  440.032   7.7124  527.298   16.612  516.667   30.775  531.669   19.733  436.704   13.041  443.360   8.2368 -6.656067 15.42478 
1 1 1   10   21    4 o  694.779   10.952  1306.83   38.803  1317.12   67.189  1301.68   47.531  696.377   17.855  693.181   12.689 3.196289 21.90489 
1 1 1   10   21    5 o  871.045   15.848  2058.69   74.595   0.0000   0.0000  2058.69   74.595  ?   ?   871.045   15.848      ?      ? 
1 1 1   10   21    6 f  574.391   8.1317  892.438   25.239   0.0000   0.0000  892.438   25.239  ?   ?   574.391   8.1317      ?      ? 
1 1 1   10   21    8 o  525.390   8.8207  746.854   25.042   0.0000   0.0000  746.854   25.042  ?   ?   525.390   8.8207      ?      ? 
1 1 1   10   21    9 o  389.700   10.727  411.170   22.589   0.0000   0.0000  411.170   22.589  ?   ?   389.700   10.727      ?      ? 
1 1 1   10   21   10 o  252.088   12.699  172.200   17.298   0.0000   0.0000  172.200   17.298  ?   ?   252.088   12.699      ?      ? 
1 1 1   10   21   11 o  439.599   9.4636  522.998   22.480   0.0000   0.0000  522.998   22.480  ?   ?   439.599   9.4636      ?      ? 
1 1 1   10   21   12 o  348.738   11.117  329.408   20.950   0.0000   0.0000  329.408   20.950  ?   ?   348.738   11.117      ?      ? 
1 1 1   10   21   13 o  482.084   11.227  629.677   29.247   0.0000   0.0000  629.677   29.247  ?   ?   482.084   11.227      ?      ? 
1 1 1   10   21   14 o  439.097   7.0978  521.570   16.841   0.0000   0.0000  521.570   16.841  ?   ?   439.097   7.0978      ?      ? 
1 1 1   10   21   15 f  544.541   7.8108  802.425   22.983   0.0000   0.0000  802.425   22.983  ?   ?   544.541   7.8108      ?      ? 
1 1 1   10   21   16 o  229.289   7.2477  142.243   8.9800   0.0000   0.0000  142.243   8.9800  ?   ?   229.289   7.2477      ?      ? 
1 1 1   10   21   17 o  472.561   7.3120  604.245   18.672   0.0000   0.0000  604.245   18.672  ?   ?   472.561   7.3120      ?      ? 
1 1 1   10   21   18 o  366.339   7.6470  368.508   14.286  349.324   24.340  378.589   17.645  358.758   12.556  373.920   8.7329 -15.16199 15.29393 
1 1 1   10   21   19 o  458.669   8.0104  556.798   16.742  596.622   35.377  545.306   19.004  468.510   13.974  448.829   7.8358 19.68057 16.02073 
1 1 1   10   21   20 o  359.300   7.3652  352.821   12.360  344.595   24.627  355.591   14.289  356.143   12.797  362.456   7.2958 -6.312836 14.73038 
1 1 1   10   21   21 o  558.950   7.9099  847.557   23.883  824.903   33.289  871.587   34.286  551.260   11.175  566.639   11.197 -15.37878 15.81974 
1 1 1   10   21   22 o  455.377   9.2507  577.898   21.071  526.802   36.827  602.765   25.691  439.406   15.510  471.348   10.087 -31.94254 18.50149 
1 1 1   10   21   23 o  243.406   11.096  159.311   14.283  173.626   23.064  150.405   18.192  251.924   16.943  234.888   14.333 17.03629 22.19178 
1 1 1   10   21   24 o   93.178   19.503   17.587   11.808   45.811   19.376   0.9117   14.894  125.364   29.154   60.991   25.912 64.37279 39.00505 
1 1 1   10   21   25 o  140.556   16.221   55.319   11.551   56.757   19.211   54.505   14.455  140.388   26.290  140.725   19.009 -0.3372345 32.44222 
1 1 1   10   21   26 o  273.758   10.549  210.346   15.176  175.113   23.030  237.387   20.176  252.484   16.880  295.033   12.655 -42.54967 21.09707 
1 1 1   10   21   27 o  123.842   17.415   47.602   10.970   30.113   17.546   58.829   14.057  101.597   29.933  146.088   17.807 -44.49054 34.82937 
1 1 1   10   21   28 o  207.268   7.6956  117.118   8.5764  102.694   12.009  132.130   12.252  194.142   11.448  220.393   10.288 -26.25117 15.39115 
1 1 1   10   21   29 o  261.228   6.7473  184.717   9.4864  194.352   14.189  176.931   12.756  267.311   9.8232  255.145   9.2524 12.16592 13.49452 
1 1 1   10   21   30 o  234.810   9.3985  149.999   11.925   0.0000   0.0000  149.999   11.925  ?   ?   234.810   9.3985      ?      ? 
1 1 1   10   21   31 o  350.194   8.8539  333.638   16.755   0.0000   0.0000  333.638   16.755  ?   ?   350.194   8.8539      ?      ? 
1 1 1   10   21   32 o  479.807   9.9236  627.812   25.729   0.0000   0.0000  627.812   25.729  ?   ?   479.807   9.9236      ?      ? 
1 1 1   10   21   33 o  381.142   9.0339  395.707   18.606   0.0000   0.0000  395.707   18.606  ?   ?   381.142   9.0339      ?      ? 
1 1 1   10   21   34 o  328.160   8.6834  293.344   15.398   0.0000   0.0000  293.344   15.398  ?   ?   328.160   8.6834      ?      ? 
1 1 1   10   21   35 o  169.831   7.9628   80.709   7.1596   66.871   10.573   92.429   9.7300  155.799   12.559  183.863   9.7933 -28.06467 15.92564 
1 1 1   10   21   36 o  151.327   8.4510   61.971   6.8498   73.358   10.511   53.567   9.0305  163.206   11.919  139.448   11.984 23.75786 16.90207 
1 1 1   10   21   37 o   66.841   15.154   12.078   6.2338   17.051   9.6701   8.5419   8.1543   75.844   22.187   57.837   20.649 18.00696 30.30887 
1 1 1   10   21   38 o  120.768   10.462   42.559   6.5031   30.796   9.7536   51.973   8.7255  104.330   17.301  137.206   11.769 -32.87560 20.92423 
1 1 1   10   21   39 o   66.792   17.667   10.368   7.2412   13.964   16.346   9.4894   8.0771   74.392   28.706   59.192   20.600 15.20062 35.33316 
1 1 1   10   21   40 o  190.877   11.197  114.255   9.0388   83.986   18.806  123.347   10.307  169.701   20.508  212.052   8.9953 -42.35139 22.39434 
1 1 1   10   21   41 o  106.457   12.545   33.214   6.9343   26.102   9.6693   40.743   9.9498   93.043   19.838  119.871   15.361 -26.82724 25.08968 
1 1 1   10   21   42 o  127.968   9.7920   47.092   6.5397   41.734   10.318   50.689   8.4551  120.972   15.784  134.964   11.593 -13.99239 19.58394 
1 1 1   10   21   43 o   41.801   12.922  -2.1564   5.5310   3.7690   8.8784  -5.9145   7.0707   49.959   20.516   33.643   15.717 16.31609 25.84471 
1 1 1   10   21   44 o  165.727   7.9321   78.626   6.8897   65.584   10.516   88.435   9.1197  152.600   12.753  178.854   9.4362 -26.25409 15.86415 
1 1 1   10   21   45 o  120.748   10.026   43.158   6.2134   35.278   9.8693   48.332   7.9971  110.076   16.592  131.420   11.261 -21.34368 20.05291 
1 1 1   10   21   46 o   37.994   12.248  -5.0107   5.3876   1.0944   8.9279  -8.5073   6.7565   45.843   19.779   30.146   14.451 15.69649 24.49551 
1 1 1   10   21   47 o   51.672   13.776   4.6268   5.5711   12.491   8.6654  -0.9138   7.2735   63.949   21.359   39.395   17.403 24.55406 27.55144 
1 1 1   10   21   48 o   71.565   14.400   16.448   5.8043   15.424   9.1055   17.150   7.5331   69.234   21.805   73.895   18.816 -4.661140 28.80050 
1 1 1   10   21   49 o   52.921   19.373   7.7989   7.2347   0.0000   0.0000   7.7989   7.2347  ?   ?    52.921   19.373      ?      ? 
1 1 1   10   21   50 o   65.073   14.959   14.059   5.9759   13.258   9.6453   14.557   7.6131   63.510   22.480   66.635   19.740 -3.124966 29.91721 
1 1 1   10   21   51 o   52.462   14.320   3.8418   6.1909   15.013   9.9230  -3.2783   7.9218   67.231   22.855   37.693   17.261 29.53804 28.64041 
1 1 1   10   21   52 o  113.520   11.885   40.860   6.7053   31.946   10.410   47.182   8.7660   99.281   20.093  127.758   12.698 -28.47688 23.76927 
1 1 1   10   21   53 o   58.350   15.296   11.732   6.3852   15.306   9.8091   9.1033   8.4114   63.665   22.656   53.035   20.557 10.63023 30.59208 
1 1 1   10   21   54 o   50.936   14.553   6.5600   6.2212   9.9534   9.3199   3.8329   8.3551   55.992   21.657   45.881   19.446 10.11145 29.10598 
1 1 1   10   21   55 o  110.507   11.172   39.189   6.5359   37.014   10.031   40.793   8.6159  105.864   17.535  115.151   13.847 -9.287056 22.34312 
1 1 1   10   22    0 o  563.332   11.299  859.466   34.394   0.0000   0.0000  859.466   34.394  ?   ?   563.332   11.299      ?      ? 
1 1 1   10   22    1 o  292.381   7.1928  231.209   11.357  237.243   16.420  225.675   15.725  296.029   10.265  288.732   10.079 7.297211 14.38553 
1 1 1   10   22    2 o  404.221   10.175  442.343   22.225   0.0000   0.0000  442.343   22.225  ?   ?   404.221   10.175      ?      ? 
1 1 1   10   22    3 o  536.445   9.0751  771.578   24.607  803.829   43.699  756.604   29.777  544.271   14.858  528.620   10.424 15.65143 18.15021 
1 1 1   10   22    4 o  403.322   7.4180  446.819   14.799  424.549   26.712  456.681   17.776  395.780   12.490  410.863   8.0068 -15.08313 14.83607 
1 1 1   10   22    5 o  139.146   11.519   52.457   8.6611   0.0000   0.0000   52.457   8.6611  ?   ?   139.146   11.519      ?      ? 
1 1 1   10   22    7 o  410.762   9.3749  456.800   20.809   0.0000   0.0000  456.800   20.809  ?   ?   410.762   9.3749      ?      ? 
1 1 1   10   22    8 f  315.332   6.9766  268.976   11.888   0.0000   0.0000  268.976   11.888  ?   ?   315.332   6.9766      ?      ? 
1 1 1   10   22    9 o  184.351   8.7145   92.000   8.6811   0.0000   0.0000   92.000   8.6811  ?   ?   184.351   8.7145      ?      ? 
1 1 1   10   22   10 o  293.386   11.694  233.393   18.539   0.0000   0.0000  233.393   18.539  ?   ?   293.386   11.694      ?      ? 
1 1 1   10   22   11 o  162.177   9.7905   71.243   8.5799   0.0000   0.0000   71.243   8.5799  ?   ?   162.177   9.7905      ?      ? 
1 1 1   10   22   12 o  404.173   7.8067  442.093   17.050   0.0000   0.0000  442.093   17.050  ?   ?   404.173   7.8067      ?      ? 
1 1 1   10   22   13 f  120.399   15.894   39.444   10.340   0.0000   0.0000   39.444   10.340  ?   ?   120.399   15.894      ?      ? 
1 1 1   10   22   14 o  318.435   7.4194  274.410   12.767   0.0000   0.0000  274.410   12.767  ?   ?   318.435   7.4194      ?      ? 
1 1 1   10   22   15 o  363.888   7.4482  358.376   14.646   0.0000   0.0000  358.376   14.646  ?   ?   363.888   7.4482      ?      ? 
1 1 1   10   22   16 o  464.359   9.7207  584.431   24.392   0.0000   0.0000  584.431   24.392  ?   ?   464.359   9.7207      ?      ? 
1 1 1   10   22   20 o  137.275   11.958   51.238   8.8702   0.0000   0.0000   51.238   8.8702  ?   ?   137.275   11.958      ?      ? 
1 1 1   10   22   21 o   92.713   28.703   24.189   15.854   0.0000   0.0000   24.189   15.854  ?   ?    92.713   28.703      ?      ? 
1 1 1   10   22   22 o  411.825   10.310  463.803   22.869  417.793   32.131  511.036   32.555  390.905   15.211  432.746   13.922 -41.84125 20.62052 
1 1 1   10   22   23 o  179.527   17.169   88.559   16.656   0.0000   0.0000   88.559   16.656  ?   ?   179.527   17.169      ?      ? 
1 1 1   10   22   24 o  308.725   9.3119  258.926   15.535   0.0000   0.0000  258.926   15.535  ?   ?   308.725   9.3119      ?      ? 
1 1 1   10   22   25 o  310.392   6.6553  261.884   11.158  254.436   15.837  269.225   15.722  305.977   9.5786  314.807   9.2423 -8.830200 13.31052 
1 1 1   10   22   26 o   49.197   14.829  -0.6119   7.1583  -5.8824   10.451   4.0464   9.8250   44.159   20.069   54.234   21.835 -10.07496 29.65719 
1 1 1   10   22   27 o  239.151   7.0617  155.798   9.1165  151.878   13.085  159.495   12.709  236.178   10.253  242.124   9.7135 -5.945358 14.12345 
1 1 1   10   22   28 o   69.560   15.343   12.162   7.0301   21.600   10.148   3.4521   9.7483   86.103   21.792   53.017   21.603 33.08569 30.68520 
1 1 1   10   22   29 o  120.541   11.077   39.713   7.1297   49.205   10.638   31.973   9.6065  133.634   14.732  107.449   16.545 26.18473 22.15358 
1 1 1   10   22   30 o  241.413   9.3402  158.786   12.184   0.0000   0.0000  158.786   12.184  ?   ?   241.413   9.3402      ?      ? 
1 1 1   10   22   31 o  107.407   12.309   32.765   6.9184   28.253   9.8365   37.181   9.7325   98.921   19.094  115.893   15.541 -16.97142 24.61879 
1 1 1   10   22   32 o  154.584   8.7795   65.198   7.3021   74.198   10.813   57.653   9.9009  164.371   12.174  144.797   12.654 19.57465 17.55909 
1 1 1   10   22   33 o  137.174   9.6282   51.837   7.1206   56.909   10.402   47.363   9.7681  143.512   13.413  130.835   13.817 12.67737 19.25634 
1 1 1   10   22   34 o  128.415   10.301   47.393   6.8739   34.559   10.070   58.590   9.4059  110.981   16.792  145.848   11.935 -34.86760 20.60136 
1 1 1   10   22   35 o  283.437   8.7947  219.478   13.470   0.0000   0.0000  219.478   13.470  ?   ?   283.437   8.7947      ?      ? 
1 1 1   10   22   36 o  248.972   6.7613  170.957   9.0286  158.312   13.282  181.818   12.310  240.102   10.237  257.842   8.8352 -17.73976 13.52266 
1 1 1   10   22   37 o  148.521   8.8888   62.138   7.0225   52.248   10.235   70.934   9.6529  136.761   13.850  160.280   11.145 -23.51947 17.77754 
1 1 1   10   22   38 o  235.203   9.0086  151.738   11.450   0.0000   0.0000  151.738   11.450  ?   ?   235.203   9.0086      ?      ? 
1 1 1   10   22   39 o  199.400   7.4162  109.841   7.8746  109.821   12.209  109.855   10.304  199.008   11.353  199.792   9.5445 -0.7835388 14.83231 
1 1 1   10   22   40 o  209.615   10.618  123.850   9.5304  125.833   21.411  123.360   10.643  207.577   19.089  211.653   9.3056 -4.075699 21.23626 
1 1 1   10   22   41 o  163.367   8.3336   74.971   7.1974   71.457   11.253   77.404   9.3627  159.528   13.054  167.205   10.362 -7.677170 16.66725 
1 1 1   10   22   42 o   86.847   14.452   23.101   6.8321   15.406   9.3507   31.914   10.007   70.677   22.070  103.017   18.663 -32.33998 28.90311 
1 1 1   10   22   43 o   56.248   14.689   8.2219   5.8715   9.9437   8.8984   6.8942   7.8140   59.653   21.539   52.842   19.980 6.811214 29.37893 
1 1 1   10   22   44 o   56.638   14.752   8.4206   5.9273   10.948   9.0265   6.5047   7.8592   61.298   21.742   51.978   19.945 9.320457 29.50430 
1 1 1   10   22   45 o   78.170   13.999   20.052   6.0395   13.612   9.7239   24.097   7.7061   66.572   22.624   89.767   16.494 -23.19440 27.99869 
1 1 1   10   22   46 o   81.707   13.314   21.950   5.9310   13.872   9.4568   27.188   7.6148   66.440   22.313   96.974   14.532 -30.53384 26.62766 
1 1 1   10   22   47 o   47.540   13.796   1.4210   5.8538   9.8030   9.4041  -3.8814   7.4796   58.794   21.984   36.286   16.673 22.50788 27.59138 
1 1 1   10   22   48 o  132.275   9.6007   51.843   6.6006   46.468   10.515   55.338   8.4797  125.037   15.562  139.514   11.248 -14.47735 19.20141 
1 1 1   10   22   49 o  113.541   11.685   41.275   6.4345   31.660   10.391   47.255   8.1947   98.696   20.165  128.386   11.812 -29.68917 23.36964 
1 1 1   10   22   51 o  103.023   19.412   34.713   10.410   34.713   10.410   0.0000   0.0000  103.023   19.412  ?   ?       ?      ? 
1 1 1   10   22   52 o  102.509   12.358   33.337   6.6175   40.831   10.473   28.357   8.5379  112.455   17.235   92.562   17.715 19.89333 24.71565 
1 1 1   10   22   53 o  260.575   9.0046  192.435   12.679   0.0000   0.0000  192.435   12.679  ?   ?   260.575   9.0046      ?      ? 
1 1 1   10   22   54 o   50.998   14.411   5.3965   6.4926   16.465   10.037  -2.5674   8.5137   64.308   22.914   37.688   17.485 26.61980 28.82299 
1 1 1   10   23    0 o  655.406   12.546  1165.49   44.433   0.0000   0.0000  1165.49   44.433  ?   ?   655.406   12.546      ?      ? 
1 1 1   10   23    2 o   97.496   13.954   26.715   6.9399   25.518   11.563   27.388   8.6764   94.655   22.863  100.336   16.003 -5.680481 27.90724 
1 1 1   10   23    3 o  252.864   7.4903  167.303   9.8111  193.986   16.909  153.760   12.046  267.454   11.700  238.274   9.3560 29.18021 14.98065 
1 1 1   10   23    4 o  282.502   7.8261  215.990   11.947   0.0000   0.0000  215.990   11.947  ?   ?   282.502   7.8261      ?      ? 
1 1 1   10   23    5 o  130.147   20.180   46.284   14.192   0.0000   0.0000   46.284   14.192  ?   ?   130.147   20.180      ?      ? 
1 1 1   10   23    7 o  214.831   11.142  125.143   12.934   0.0000   0.0000  125.143   12.934  ?   ?   214.831   11.142      ?      ? 
1 1 1   10   23    8 o  290.348   9.6241  228.396   15.100   0.0000   0.0000  228.396   15.100  ?   ?   290.348   9.6241      ?      ? 
1 1 1   10   23   10 o   96.418   19.536   26.320   9.8297   0.0000   0.0000   26.320   9.8297  ?   ?    96.418   19.536      ?      ? 
1 1 1   10   23   11 o  165.846   12.640   74.719   11.327   0.0000   0.0000   74.719   11.327  ?   ?   165.846   12.640      ?      ? 
1 1 1   10   23   12 o  239.104   9.9625  155.023   12.872   0.0000   0.0000  155.023   12.872  ?   ?   239.104   9.9625      ?      ? 
1 1 1   10   23   16 o  225.738   9.0917  138.186   11.090   0.0000   0.0000  138.186   11.090  ?   ?   225.738   9.0917      ?      ? 
1 1 1   10   23   17 o  126.191   11.240   43.279   7.6646   0.0000   0.0000   43.279   7.6646  ?   ?   126.191   11.240      ?      ? 
1 1 1   10   23   18 o  366.616   6.8430  363.998   13.556   0.0000   0.0000  363.998   13.556  ?   ?   366.616   6.8430      ?      ? 
1 1 1   10   23   19 o  218.631   7.3857  129.531   8.7255   0.0000   0.0000  129.531   8.7255  ?   ?   218.631   7.3857      ?      ? 
1 1 1   10   23   20 o  356.985   7.6605  346.148   13.758  348.423   24.435  345.092   16.647  357.385   12.653  356.584   8.6394 0.8005676 15.32100 
1 1 1   10   23   21 o  301.189   7.6855  244.959   11.505  252.027   20.999  241.927   13.753  303.834   12.790  298.543   8.5250 5.290924 15.37108 
1 1 1   10   23   22 o  161.247   10.552   72.144   8.7950   68.041   14.523   74.520   11.052  157.226   17.094  165.267   12.376 -8.040649 21.10384 
1 1 1   10   23   24 o  248.309   7.1554  167.893   9.5974  164.936   13.680  170.759   13.468  246.124   10.286  250.494   9.9497 -4.369339 14.31088 
1 1 1   10   23   25 o  116.877   12.068   37.622   7.6000   41.816   11.120   33.945   10.411  123.018   16.728  110.737   17.399 12.28093 24.13599 
1 1 1   10   23   26 o   66.354   15.805   11.146   6.9724   16.673   10.010   5.9382   9.7174   76.153   22.653   56.555   22.047 19.59795 31.61049 
1 1 1   10   23   27 o  221.781   10.150  134.191   12.164   0.0000   0.0000  134.191   12.164  ?   ?   221.781   10.150      ?      ? 
1 1 1   10   23   28 o  127.295   10.952   44.960   7.5009   42.971   10.973   46.704   10.277  124.482   16.313  130.107   14.617 -5.625031 21.90405 
1 1 1   10   23   29 o  307.161   9.1066  257.134   15.115   0.0000   0.0000  257.134   15.115  ?   ?   307.161   9.1066      ?      ? 
1 1 1   10   23   30 o  239.232   9.8682  156.383   12.757   0.0000   0.0000  156.383   12.757  ?   ?   239.232   9.8682      ?      ? 
1 1 1   10   23   31 o  157.908   8.9313   69.129   7.5789   63.237   10.963   74.523   10.489  151.223   13.416  164.593   11.793 -13.37015 17.86252 
1 1 1   10   23   32 o  172.512   11.071   81.771   10.320   0.0000   0.0000   81.771   10.320  ?   ?   172.512   11.071      ?      ? 
1 1 1   10   23   33 o  174.700   8.1525   85.070   7.5924   71.390   10.956   97.709   10.531  160.694   12.617  188.705   10.328 -28.01082 16.30507 
1 1 1   10   23   34 o   58.492   14.434   4.8031   6.7219   18.017   9.8935  -6.5267   9.1611   77.536   22.373   39.448   18.243 38.08810 28.86808 
1 1 1   10   23   35 o   61.757   15.427   10.286   6.4169   9.7094   9.4677   10.776   8.7273   61.157   22.196   62.357   21.430 -1.199306 30.85307 
1 1 1   10   23   36 o   71.006   14.652   13.398   6.5013   24.492   9.9426   5.1121   8.5929   90.016   20.850   51.996   20.591 38.01982 29.30388 
1 1 1   10   23   37 o   93.308   13.150   24.948   6.5696   41.560   10.046   12.533   8.6841  121.154   15.344   65.462   21.360 55.69210 26.30057 
1 1 1   10   23   38 o  283.393   8.7224  220.645   13.357   0.0000   0.0000  220.645   13.357  ?   ?   283.393   8.7224      ?      ? 
1 1 1   10   23   39 o   34.077   11.496 -11.0335   6.0825 -19.1989   9.4700  -5.2994   7.9359   31.351   15.472   36.804   17.006 -5.453150 22.99124 
1 1 1   10   23   40 o  156.826   11.284   68.565   9.5626   0.0000   0.0000   68.565   9.5626  ?   ?   156.826   11.284      ?      ? 
1 1 1   10   23   41 o   50.318   15.904   0.0938   7.4176  -2.1838   16.431   0.6768   8.3129   56.416   25.447   44.221   19.082 12.19502 31.80730 
1 1 1   10   23   42 o   95.362   14.259   28.598   7.1955   32.971   9.6358   23.086   10.818  106.186   16.793   84.537   23.049 21.64921 28.51763 
1 1 1   10   23   43 o   68.576   14.736   13.631   6.6451   4.4418   9.2567   23.401   9.5452   50.943   20.938   86.210   20.742 -35.26679 29.47247 
1 1 1   10   23   44 o   60.328   15.223   10.053   6.3105   14.344   9.6166   6.8085   8.3628   67.634   22.498   53.023   20.513 14.61052 30.44562 
1 1 1   10   23   45 o  229.234   6.9110  147.109   8.5140  142.643   12.595  150.867   11.554  225.585   10.332  232.883   9.1811 -7.297607 13.82193 
1 1 1   10   23   46 o   94.084   13.463   27.949   6.5795   25.423   10.324   29.677   8.5382   87.934   21.828  100.234   15.764 -12.29971 26.92514 
1 1 1   10   23   47 o  109.146   11.931   36.778   6.7542   35.071   10.309   38.062   8.9407  104.905   18.879  113.386   14.592 -8.481697 23.86124 
1 1 1   10   23   48 o  126.520   11.385   50.400   7.0961   36.658   10.843   60.694   9.3850  107.405   19.397  145.635   11.926 -38.23013 22.76954 
1 1 1   10   23   49 o   45.083   13.257  -1.1057   6.3847 -15.0649   9.6503   9.7611   8.5146   33.094   16.187   57.072   20.998 -23.97802 26.51317 
1 1 1   10   23   50 o  195.374   7.6259  111.888   7.9362  103.619   11.959  118.396   10.609  187.505   11.803  203.242   9.6600 -15.73680 15.25188 
1 1 1   10   23   51 o   67.151   15.652   16.280   6.5849   15.523   10.039   16.852   8.7240   65.390   22.954   68.913   21.284 -3.523247 31.30363 
1 1 1   10   23   52 o  136.604   10.149   58.079   7.3198   54.307   11.310   60.798   9.6021  130.660   16.019  142.548   12.466 -11.88777 20.29747 
1 1 1   10   24    0 o  347.317   8.7517  327.550   16.419  340.766   23.461  314.865   22.985  354.198   12.258  340.436   12.495 13.76208 17.50346 
1 1 1   10   24    1 o  393.069   8.9686  418.910   19.025  401.577   26.115  438.513   27.773  384.443   12.571  401.694   12.795 -17.25116 17.93726 
1 1 1   10   24    2 o  172.250   10.965   82.601   9.8035  110.203   13.993   55.991   13.739  201.359   12.860  143.141   17.763 58.21800 21.92935 
1 1 1   10   24    3 o  259.053   8.5296  183.376   11.865  201.914   16.525  163.649   17.046  272.743   11.213  245.364   12.857 27.37843 17.05927 
1 1 1   10   24    5 o  446.228   11.896  540.911   28.684   0.0000   0.0000  540.911   28.684  ?   ?   446.228   11.896      ?      ? 
1 1 1   10   24    6 o   36.989   17.469 -10.3714   9.1573   0.0000   0.0000 -10.3714   9.1573  ?   ?    36.989   17.469      ?      ? 
1 1 1   10   24    7 o  361.325   8.3414  353.735   16.286   0.0000   0.0000  353.735   16.286  ?   ?   361.325   8.3414      ?      ? 
1 1 1   10   24    8 o  304.461   7.1749  250.987   11.804   0.0000   0.0000  250.987   11.804  ?   ?   304.461   7.1749      ?      ? 
1 1 1   10   24    9 o  328.647   8.7312  292.773   15.506   0.0000   0.0000  292.773   15.506  ?   ?   328.647   8.7312      ?      ? 
1 1 1   10   24   10 o  145.937   10.009   57.796   7.8930   0.0000   0.0000   57.796   7.8930  ?   ?   145.937   10.009      ?      ? 
1 1 1   10   24   11 o  300.952   7.8492  245.398   12.765   0.0000   0.0000  245.398   12.765  ?   ?   300.952   7.8492      ?      ? 
1 1 1   10   24   12 o  161.106   12.323   70.631   10.728   0.0000   0.0000   70.631   10.728  ?   ?   161.106   12.323      ?      ? 
1 1 1   10   24   13 o  213.876   7.6691  123.951   8.8633   0.0000   0.0000  123.951   8.8633  ?   ?   213.876   7.6691      ?      ? 
1 1 1   10   24   14 o  325.665   11.496  288.550   20.230   0.0000   0.0000  288.550   20.230  ?   ?   325.665   11.496      ?      ? 
1 1 1   10   24   15 o  383.378   8.8215  398.869   18.275   0.0000   0.0000  398.869   18.275  ?   ?   383.378   8.8215      ?      ? 
1 1 1   10   24   16 o  180.454   11.275   88.667   10.994   0.0000   0.0000   88.667   10.994  ?   ?   180.454   11.275      ?      ? 
1 1 1   10   24   17 o  111.790   11.933   34.072   7.2086   0.0000   0.0000   34.072   7.2086  ?   ?   111.790   11.933      ?      ? 
1 1 1   10   24   18 o  100.908   12.747   27.797   6.9503   0.0000   0.0000   27.797   6.9503  ?   ?   100.908   12.747      ?      ? 
1 1 1   10   24   19 o   71.163   17.408   14.498   6.6391   0.0000   0.0000   14.498   6.6391  ?   ?    71.163   17.408      ?      ? 
1 1 1   10   24   20 o  191.036   8.3113  105.262   7.6208   86.554   13.849  113.387   9.1269  177.700   14.423  204.372   8.2645 -26.67181 16.62266 
1 1 1   10   24   21 o  303.832   7.5130  253.151   11.646  246.622   19.959  256.522   14.341  300.404   12.295  307.259   8.6374 -6.855316 15.02601 
1 1 1   10   24   22 o  120.860   12.309   42.578   6.5711   38.018   13.128   44.103   7.5904  114.602   22.000  127.117   11.050 -12.51463 24.61891 
1 1 1   10   24   23 o  227.421   8.1920  138.606   9.8889  156.216   15.858  127.402   12.649  238.833   12.288  216.008   10.837 22.82538 16.38403 
1 1 1   10   24   24 o   68.197   16.361   12.100   7.4036   7.3747   10.527   16.724   10.414   60.091   23.077   76.303   23.199 -16.21196 32.72213 
1 1 1   10   24   26 o   92.208   13.727   23.283   7.3710   45.040   11.117   6.2147   9.8465  127.399   16.149   57.016   22.202 70.38368 27.45391 
1 1 1   10   24   27 o  162.130   8.8698   72.628   7.6950   60.771   10.822   84.754   10.944  148.458   13.490  175.802   11.520 -27.34375 17.73969 
1 1 1   10   24   28 o  109.710   16.927   33.696   10.035   0.0000   0.0000   33.696   10.035  ?   ?   109.710   16.927      ?      ? 
1 1 1   10   24   29 o   61.399   15.713   9.3950   6.7515   7.3940   9.6409   11.321   9.4578   58.098   22.139   64.700   22.304 -6.602058 31.42607 
1 1 1   10   24   30 o   74.053   22.753   16.094   9.9842   0.0000   0.0000   16.094   9.9842  ?   ?    74.053   22.753      ?      ? 
1 1 1   10   24   31 o  119.633   11.356   40.273   7.2723   47.136   10.407   33.723   10.167  129.954   14.820  109.311   17.212 20.64254 22.71273 
1 1 1   10   24   32 o   81.086   14.813   19.628   7.0071   29.431   9.9320   9.9140   9.8873   99.983   19.079   62.189   22.666 37.79471 29.62699 
1 1 1   10   24   33 o   86.062   14.055   22.153   6.8356   32.294   9.6774   12.057   9.6566  106.620   16.797   65.503   22.540 41.11661 28.11036 
1 1 1   10   24   34 o  170.849   8.3906   81.111   7.7307   77.959   11.142   84.038   10.735  167.472   12.312  174.226   11.403 -6.753464 16.78120 
1 1 1   10   24   35 o   49.266   14.474   1.8444   6.5262   6.8645   9.5422  -2.5675   8.9455   56.114   21.855   42.418   18.983 13.69674 28.94835 
1 1 1   10   24   36 o  140.273   9.3106   55.375   7.0135   53.505   10.402   56.934   9.4971  137.767   13.972  142.779   12.309 -5.011734 18.62124 
1 1 1   10   24   37 o   97.696   13.049   27.285   6.6628   37.622   10.384   20.052   8.6866  114.357   16.805   81.034   19.967 33.32229 26.09750 
1 1 1   10   24   38 o  183.199   8.0984   94.413   7.9406   85.966   11.700  101.625   10.812  175.056   12.369  191.342   10.457 -16.28571 16.19670 
1 1 1   10   24   39 o  103.786   12.801   33.555   6.7126   23.498   10.046   41.668   9.0228   86.442   21.575  121.129   13.785 -34.68691 25.60243 
1 1 1   10   24   40 o  108.917   12.107   35.473   6.8634   31.453   10.078   38.950   9.3728  101.457   19.083  116.378   14.904 -14.92062 24.21369 
1 1 1   10   24   41 o   90.829   16.841   28.743   7.8578   19.768   17.417   31.037   8.8047   78.246   29.770  103.413   15.756 -25.16767 33.68295 
1 1 1   10   24   42 o   48.479   14.618   1.9770   6.6749   4.5664   10.341   0.1278   8.7393   52.783   21.952   44.175   19.308 8.607933 29.23531 
1 1 1   10   24   43 o   47.783   14.762   0.2107   7.4547   4.9161   9.9417  -5.8333   11.267   52.120   21.587   43.447   20.142 8.673084 29.52460 
1 1 1   10   24   44 f   45.850   14.066   1.1223   6.5072  -2.4017   10.210   3.5325   8.4442   44.137   19.970   47.563   19.814 -3.426342 28.13168 
1 1 1   10   24   45 o   60.867   15.639   10.817   6.5961   16.422   10.589   7.2624   8.4318   69.234   23.609   52.501   20.517 16.73320 31.27870 
1 1 1   10   24   46 o  129.832   10.757   51.614   7.2236   41.332   11.093   59.186   9.5184  116.196   17.667  143.468   12.278 -27.27275 21.51419 
1 1 1   10   24   47 o  117.315   11.376   40.628   7.0966   43.874   11.215   38.460   9.1650  120.342   17.245  114.288   14.840 6.053459 22.75174 
1 1 1   10   24   48 o  169.790   8.4047   84.387   7.6273   79.792   11.437   88.069   10.236  164.561   12.861  175.019   10.823 -10.45810 16.80947 
1 1 1   10   24   49 o  101.439   13.474   36.441   6.9864   22.759   10.367   47.827   9.4567   77.435   23.057  125.444   13.951 -48.00931 26.94900 
1 1 1   10   24   50 o   48.927   14.268   1.6363   6.6882   14.361   10.354  -7.4742   8.7611   62.877   23.152   34.978   16.682 27.89831 28.53625 
1 1 1   10   24   51 o   51.187   14.858   7.8197   6.5203   10.775   10.056   5.6759   8.5647   55.243   22.144   47.130   19.816 8.113186 29.71560 
1 1 1   10   25    0 o  265.362   10.409  191.224   14.926   0.0000   0.0000  191.224   14.926  ?   ?   265.362   10.409      ?      ? 
1 1 1   10   25    1 o   46.754   14.399  -2.5970   6.6445   2.2793   10.966  -5.4259   8.3524   54.534   22.637   38.974   17.801 15.56019 28.79730 
1 1 1   10   25    2 o  737.384   11.629  1485.84   43.676  1494.59   75.694  1481.48   53.476  737.440   18.995  737.327   13.422 0.1127930 23.25867 
1 1 1   10   25    3 o  226.158   12.219  139.189   14.933   0.0000   0.0000  139.189   14.933  ?   ?   226.158   12.219      ?      ? 
1 1 1   10   25    4 o  156.969   20.637   67.965   17.505   0.0000   0.0000   67.965   17.505  ?   ?   156.969   20.637      ?      ? 
1 1 1   10   25    5 o   74.778   18.481   15.966   7.4249   0.0000   0.0000   15.966   7.4249  ?   ?    74.778   18.481      ?      ? 
1 1 1   10   25    6 o   80.622   17.850   18.531   7.5710   0.0000   0.0000   18.531   7.5710  ?   ?    80.622   17.850      ?      ? 
1 1 1   10   25    7 o  286.129   7.2282  221.814   11.176   0.0000   0.0000  221.814   11.176  ?   ?   286.129   7.2282      ?      ? 
1 1 1   10   25    8 o  208.557   15.259  119.041   17.197   0.0000   0.0000  119.041   17.197  ?   ?   208.557   15.259      ?      ? 
1 1 1   10   25    9 o  189.829   8.4483   97.766   8.6660   0.0000   0.0000   97.766   8.6660  ?   ?   189.829   8.4483      ?      ? 
1 1 1   10   25   10 f  100.513   14.165   27.631   7.6934   0.0000   0.0000   27.631   7.6934  ?   ?   100.513   14.165      ?      ? 
1 1 1   10   25   11 o  233.393   7.5586  147.707   9.5328   0.0000   0.0000  147.707   9.5328  ?   ?   233.393   7.5586      ?      ? 
1 1 1   10   25   12 o  184.719   16.957   93.891   16.926   0.0000   0.0000   93.891   16.926  ?   ?   184.719   16.957      ?      ? 
1 1 1   10   25   13 o  315.573   8.6476  270.354   14.746   0.0000   0.0000  270.354   14.746  ?   ?   315.573   8.6476      ?      ? 
1 1 1   10   25   14 o  209.592   7.8815  119.166   8.9263   0.0000   0.0000  119.166   8.9263  ?   ?   209.592   7.8815      ?      ? 
1 1 1   10   25   15 f  127.367   11.129   44.197   7.6597   0.0000   0.0000   44.197   7.6597  ?   ?   127.367   11.129      ?      ? 
1 1 1   10   25   16 o  197.294   8.3020  105.689   8.8508   0.0000   0.0000  105.689   8.8508  ?   ?   197.294   8.3020      ?      ? 
1 1 1   10   25   17 f  213.122   7.8101  123.298   8.9944   0.0000   0.0000  123.298   8.9944  ?   ?   213.122   7.8101      ?      ? 
1 1 1   10   25   18 o  178.374   8.4963   86.482   8.1894   0.0000   0.0000   86.482   8.1894  ?   ?   178.374   8.4963      ?      ? 
1 1 1   10   25   19 o   53.588   18.743   7.2063   6.6902   0.0000   0.0000   7.2063   6.6902  ?   ?    53.588   18.743      ?      ? 
1 1 1   10   25   20 o  256.971   7.0545  179.243   9.7957   0.0000   0.0000  179.243   9.7957  ?   ?   256.971   7.0545      ?      ? 
1 1 1   10   25   21 o  109.429   12.602   36.892   6.2788   27.432   11.537   40.874   7.4844   96.618   22.514  122.240   11.331 -25.62221 25.20442 
1 1 1   10   25   22 o   97.227   13.755   26.340   6.3089   28.468   12.377   25.592   7.3330   98.085   23.632   96.369   14.082 1.716125 27.50922 
1 1 1   10   25   23 o  106.031   12.208   32.221   6.0398   30.901   11.405   32.736   7.1202  102.826   21.229  109.237   12.062 -6.410835 24.41656 
1 1 1   10   25   24 o  221.121   11.316  134.043   13.521  134.043   13.521   0.0000   0.0000  221.121   11.316  ?   ?       ?      ? 
1 1 1   10   25   25 o  129.234   10.931   46.560   7.5976   41.166   10.663   52.122   10.828  121.419   16.253  137.049   14.621 -15.63042 21.86113 
1 1 1   10   25   26 o   51.549   14.941   3.0812   6.7167   5.7183   9.4897   0.4340   9.5080   55.193   21.708   47.905   20.536 7.287727 29.88271 
1 1 1   10   25   27 o   60.217   16.061   8.3349   7.1349   7.8999   10.188   8.7536   9.9950   59.669   22.753   60.764   22.675 -1.095142 32.12271 
1 1 1   10   25   28 o  148.944   9.8429   61.403   7.8462   73.766   11.488   50.595   10.742  163.197   13.027  134.690   14.759 28.50743 19.68584 
1 1 1   10   25   29 o  112.229   12.744   36.645   7.4083   29.224   10.509   43.975   10.445   99.244   20.282  125.214   15.437 -25.96975 25.48790 
1 1 1   10   25   30 o  228.111   7.4414  143.952   9.1122  125.492   12.901  162.329   12.872  213.163   11.200  243.058   9.8004 -29.89565 14.88283 
1 1 1   10   25   31 o  231.565   10.034  147.591   12.556   0.0000   0.0000  147.591   12.556  ?   ?   231.565   10.034      ?      ? 
1 1 1   10   25   32 f   91.168   14.916   25.569   7.2735   19.765   10.491   30.941   10.093   80.209   23.008  102.127   18.988 -21.91828 29.83164 
1 1 1   10   25   33 o  187.858   8.1774   98.457   8.2681   91.666   11.931  104.732   11.468  181.316   12.178  194.400   10.917 -13.08438 16.35471 
1 1 1   10   25   34 o   54.548   15.178   5.3563   6.7971   10.368   9.7372   0.5934   9.4927   61.927   22.505   47.169   20.373 14.75832 30.35661 
1 1 1   10   25   35 o   84.319   14.215   21.931   6.8698   11.998   9.9093   31.124   9.5324   64.758   22.800  103.879   16.982 -39.12092 28.42959 
1 1 1   10   25   36 o  113.497   12.298   36.812   7.0370   55.022   10.886   23.741   9.2230  139.039   14.490   87.954   19.874 51.08443 24.59504 
1 1 1   10   25   37 o  224.083   7.2902  139.845   8.7455  137.566   13.232  141.613   11.654  222.004   11.030  226.162   9.5361 -4.157944 14.58050 
1 1 1   10   25   38 o   98.524   18.581   29.549   9.5298   0.0000   0.0000   29.549   9.5298  ?   ?    98.524   18.581      ?      ? 
1 1 1   10   25   39 o  146.466   9.4902   61.609   7.4268   56.045   11.002   66.267   10.066  139.665   14.578  153.268   12.154 -13.60323 18.98041 
1 1 1   10   25   40 f   69.762   15.224   14.388   6.7396   23.015   9.9807   7.1563   9.1376   84.804   21.693   54.721   21.366 30.08309 30.44793 
1 1 1   10   25   41 o   57.219   14.820   7.1452   6.9720  -4.1135   10.321   16.595   9.4557   42.922   19.672   71.516   22.171 -28.59361 29.64024 
1 1 1   10   25   42 o   76.768   16.519   22.200   8.4404   0.2243   18.611   27.890   9.4702   59.217   26.862   94.318   19.233 -35.10094 33.03759 
1 1 1   10   25   43 o   50.991   15.504   3.7100   7.6793   4.3035   10.243   2.9482   11.605   50.770   21.525   51.212   22.320 -0.4414482 31.00871 
1 1 1   10   25   44 o   76.097   17.041   19.685   8.0995   13.311   10.964   27.342   12.017   64.149   23.786   88.045   24.409 -23.89663 34.08212 
1 1 1   10   25   45 o   81.274   14.527   19.938   6.9689   36.189   10.892   8.6768   9.0676  106.669   19.620   55.879   21.428 50.79072 29.05335 
1 1 1   10   25   46 o   76.782   15.726   20.132   6.8595   23.688   10.516   17.499   9.0500   82.147   22.855   71.418   21.606 10.72959 31.45152 
1 1 1   10   25   47 o  120.882   12.018   48.817   7.2011   36.169   10.786   58.988   9.6724  101.553   20.364  140.211   12.766 -38.65784 24.03509 
1 1 1   10   25   48 o   82.380   15.644   24.189   7.0656   25.941   10.738   22.852   9.3834   84.232   22.961   80.528   21.253 3.703484 31.28759 
1 1 1   10   25   49 o   57.982   14.649   9.2924   6.7979   22.521   10.102  -1.6554   9.1900   75.994   22.791   39.970   18.409 36.02383 29.29724 
1 1 1   10   26    0 o  315.184   7.4224  262.429   11.833  292.568   21.291  248.958   14.234  327.549   12.029  302.819   8.6987 24.73099 14.84471 
1 1 1   10   26    1 f  239.894   7.7555  153.483   9.6967  168.626   16.311  145.206   12.059  248.651   12.140  231.137   9.6549 17.51393 15.51105 
1 1 1   10   26    2 o  245.398   10.935  163.952   14.501   0.0000   0.0000  163.952   14.501  ?   ?   245.398   10.935      ?      ? 
1 1 1   10   26    3 o  177.509   12.275   85.955   11.774   0.0000   0.0000   85.955   11.774  ?   ?   177.509   12.275      ?      ? 
1 1 1   10   26    4 o  156.013   9.8589   66.172   8.3115   0.0000   0.0000   66.172   8.3115  ?   ?   156.013   9.8589      ?      ? 
1 1 1   10   26    5 o  214.908   8.1859  125.322   9.5062   0.0000   0.0000  125.322   9.5062  ?   ?   214.908   8.1859      ?      ? 
1 1 1   10   26    6 o  130.454   11.481   46.373   8.0933   0.0000   0.0000   46.373   8.0933  ?   ?   130.454   11.481      ?      ? 
1 1 1   10   26    7 o  170.465   9.0070   78.929   8.2967   0.0000   0.0000   78.929   8.2967  ?   ?   170.465   9.0070      ?      ? 
1 1 1   10   26    8 o   65.547   19.879   12.016   7.6536   0.0000   0.0000   12.016   7.6536  ?   ?    65.547   19.879      ?      ? 
1 1 1   10   26    9 o   98.550   14.464   26.623   7.7025   0.0000   0.0000   26.623   7.7025  ?   ?    98.550   14.464      ?      ? 
1 1 1   10   26   10 o  223.984   7.6801  136.129   9.2955   0.0000   0.0000  136.129   9.2955  ?   ?   223.984   7.6801      ?      ? 
1 1 1   10   26   11 o  118.387   12.220   38.298   7.8172   0.0000   0.0000   38.298   7.8172  ?   ?   118.387   12.220      ?      ? 
1 1 1   10   26   12 o  342.454   11.680  320.325   21.614   0.0000   0.0000  320.325   21.614  ?   ?   342.454   11.680      ?      ? 
1 1 1   10   26   13 o  100.734   14.074   27.877   7.6610   0.0000   0.0000   27.877   7.6610  ?   ?   100.734   14.074      ?      ? 
1 1 1   10   26   14 o  190.036   8.2852   98.168   8.5079   0.0000   0.0000   98.168   8.5079  ?   ?   190.036   8.2852      ?      ? 
1 1 1   10   26   15 o  122.299   11.279   40.887   7.4540   0.0000   0.0000   40.887   7.4540  ?   ?   122.299   11.279      ?      ? 
1 1 1   10   26   16 o  196.913   8.0596  105.410   8.5758   0.0000   0.0000  105.410   8.5758  ?   ?   196.913   8.0596      ?      ? 
1 1 1   10   26   17 o  291.425   12.046  232.719   18.969   0.0000   0.0000  232.719   18.969  ?   ?   291.425   12.046      ?      ? 
1 1 1   10   26   18 o  272.267   12.959  203.688   19.066   0.0000   0.0000  203.688   19.066  ?   ?   272.267   12.959      ?      ? 
1 1 1   10   26   19 o  238.080   13.249  155.982   17.045   0.0000   0.0000  155.982   17.045  ?   ?   238.080   13.249      ?      ? 
1 1 1   10   26   20 o  143.515   9.9534   56.270   7.7189   0.0000   0.0000   56.270   7.7189  ?   ?   143.515   9.9534      ?      ? 
1 1 1   10   26   21 o  145.535   9.3411   57.839   7.3460   0.0000   0.0000   57.839   7.3460  ?   ?   145.535   9.3411      ?      ? 
1 1 1   10   26   22 o  112.133   12.565   35.893   6.3472   35.878   12.717   35.898   7.3248  110.054   22.152  114.213   11.868 -4.158882 25.13076 
1 1 1   10   26   23 o  196.378   7.7608  104.190   7.3604  109.820   14.163  102.107   8.6152  199.255   13.154  193.501   8.2394 5.754883 15.52155 
1 1 1   10   26   24 o  124.959   10.616   41.014   6.3064   49.054   12.772   38.422   7.2521  131.751   17.940  118.168   11.357 13.58342 21.23256 
1 1 1   10   26   25 o  118.034   12.055   39.268   7.6777   36.546   10.751   42.103   10.968  113.729   17.493  122.339   16.592 -8.609787 24.11023 
1 1 1   10   26   26 o   80.921   22.959   19.772   10.504   0.0000   0.0000   19.772   10.504  ?   ?    80.921   22.959      ?      ? 
1 1 1   10   26   27 o  109.637   12.736   34.813   7.3636   36.447   10.249   33.069   10.587  113.382   16.728  105.892   19.210 7.490082 25.47199 
1 1 1   10   26   28 o  182.558   8.3864   92.169   8.2627   87.611   11.351   97.306   12.050  177.786   11.816  187.329   11.904 -9.543076 16.77271 
1 1 1   10   26   30 o  164.741   8.8386   75.675   7.8637   72.261   10.962   79.294   11.287  160.870   12.610  168.612   12.389 -7.741745 17.67717 
1 1 1   10   26   31 o  121.539   11.372   42.534   7.3573   50.511   10.405   34.556   10.405  133.685   14.403  109.392   17.602 24.29364 22.74407 
1 1 1   10   26   32 o  158.225   9.2737   70.486   7.8338   84.252   11.245   57.506   10.919  173.777   11.975  142.673   14.164 31.10472 18.54748 
1 1 1   10   26   33 o   71.265   16.347   15.585   7.2155   14.404   10.409   16.677   10.011   69.180   23.409   73.350   22.825 -4.169884 32.69436 
1 1 1   10   26   34 o   95.338   14.081   27.323   7.1917   37.956   10.654   18.422   9.7476  114.146   17.272   76.528   22.244 37.61804 28.16243 
1 1 1   10   26   35 o  115.373   11.478   38.637   7.1360   38.042   10.426   39.161   9.7880  114.209   16.894  116.537   15.543 -2.328186 22.95619 
1 1 1   10   26   36 o   76.797   15.495   18.917   6.9128   14.199   10.012   23.215   9.5559   67.756   22.958   85.838   20.816 -18.08205 30.99011 
1 1 1   10   26   37 o   94.637   14.260   27.806   7.0685   30.367   10.240   25.474   9.7697   99.103   19.814   90.172   20.513 8.930832 28.51939 
1 1 1   10   26   38 o   64.371   15.668   11.354   6.9946   19.477   10.419   4.6898   9.4372   77.344   23.135   51.397   21.135 25.94769 31.33526 
1 1 1   10   26   39 o  150.402   9.5140   64.828   7.7189   67.537   11.325   62.477   10.549  153.177   13.682  147.626   13.223 5.550491 19.02792 
1 1 1   10   26   40 o   87.150   14.787   24.264   7.1438   35.080   10.520   15.009   9.7315  106.160   19.039   68.139   22.630 38.02051 29.57359 
1 1 1   10   26   41 o   69.900   13.439   12.460   7.2350  -7.6501   10.243   32.485   10.221   39.182   18.496  100.618   19.503 -61.43571 26.87840 
1 1 1   10   26   42 o   77.342   18.129   22.476   8.8816   14.306   18.540   24.909   10.118   68.596   29.015   86.088   21.744 -17.49196 36.25849 
1 1 1   10   26   43 o   89.372   16.206   32.785   9.1615   4.9099   19.424   40.761   10.390   62.212   27.898  116.532   16.500 -54.31958 32.41195 
1 1 1   10   26   44 o   82.043   17.238   23.478   8.0230   20.703   10.184   28.018   13.027   77.047   22.832   87.040   25.831 -9.993050 34.47527 
1 1 1   10   26   45 o   48.626   14.535   3.4806   7.1097   12.190   10.103  -5.0634   10.007   58.332   22.552   38.919   18.344 19.41383 29.07035 
1 1 1   10   26   46 o   79.237   15.448   22.801   6.9861   18.074   10.256   26.894   9.5425   69.924   23.232   88.550   20.367 -18.62630 30.89610 
1 1 1   10   26   47 o   55.560   16.426   9.8561   8.6388   13.957   10.331   0.3223   15.753   60.858   22.982   50.262   23.474 10.59570 32.85123 
1 1 1   10   27    1 o  162.208   14.574   72.334   12.774   0.0000   0.0000   72.334   12.774  ?   ?   162.208   14.574      ?      ? 
1 1 1   10   27    2 o  183.108   12.241   91.720   12.112   0.0000   0.0000   91.720   12.112  ?   ?   183.108   12.241      ?      ? 
1 1 1   10   27    3 f   45.814   19.009   1.7256   7.7276   0.0000   0.0000   1.7256   7.7276  ?   ?    45.814   19.009      ?      ? 
1 1 1   10   27    4 o  370.471   9.1424  373.487   18.302   0.0000   0.0000  373.487   18.302  ?   ?   370.471   9.1424      ?      ? 
1 1 1   10   27    5 o  287.185   7.2682  223.865   11.279   0.0000   0.0000  223.865   11.279  ?   ?   287.185   7.2682      ?      ? 
1 1 1   10   27    6 o  178.354   9.1800   86.593   8.8474   0.0000   0.0000   86.593   8.8474  ?   ?   178.354   9.1800      ?      ? 
1 1 1   10   27    7 o  160.014   9.8756   69.794   8.5390   0.0000   0.0000   69.794   8.5390  ?   ?   160.014   9.8756      ?      ? 
1 1 1   10   27    8 o   74.430   18.506   16.033   7.4114   0.0000   0.0000   16.033   7.4114  ?   ?    74.430   18.506      ?      ? 
1 1 1   10   27    9 o  113.487   12.725   35.330   7.8036   0.0000   0.0000   35.330   7.8036  ?   ?   113.487   12.725      ?      ? 
1 1 1   10   27   10 o  281.879   7.2991  215.775   11.118   0.0000   0.0000  215.775   11.118  ?   ?   281.879   7.2991      ?      ? 
1 1 1   10   27   11 o   50.552   19.332   5.1239   7.3679   0.0000   0.0000   5.1239   7.3679  ?   ?    50.552   19.332      ?      ? 
1 1 1   10   27   12 o  142.742   10.597   55.670   8.1740   0.0000   0.0000   55.670   8.1740  ?   ?   142.742   10.597      ?      ? 
1 1 1   10   27   13 o  158.861   10.261   68.923   8.8084   0.0000   0.0000   68.923   8.8084  ?   ?   158.861   10.261      ?      ? 
1 1 1   10   27   14 o  235.153   9.0108  150.693   11.450   0.0000   0.0000  150.693   11.450  ?   ?   235.153   9.0108      ?      ? 
1 1 1   10   27   15 o  252.947   7.8746  174.069   10.763   0.0000   0.0000  174.069   10.763  ?   ?   252.947   7.8746      ?      ? 
1 1 1   10   27   16 o  216.423   7.8590  127.484   9.1909   0.0000   0.0000  127.484   9.1909  ?   ?   216.423   7.8590      ?      ? 
1 1 1   10   27   17 o  143.718   9.8373   56.494   7.6397   0.0000   0.0000   56.494   7.6397  ?   ?   143.718   9.8373      ?      ? 
1 1 1   10   27   18 o   40.742   17.618  -0.3941   7.1158   0.0000   0.0000  -0.3941   7.1158  ?   ?    40.742   17.618      ?      ? 
1 1 1   10   27   19 o  129.911   10.465   46.287   7.3463   0.0000   0.0000   46.287   7.3463  ?   ?   129.911   10.465      ?      ? 
1 1 1   10   27   20 o  146.863   9.4510   59.017   7.5003   0.0000   0.0000   59.017   7.5003  ?   ?   146.863   9.4510      ?      ? 
1 1 1   10   27   21 o   42.552   17.571   1.8688   6.5581   0.0000   0.0000   1.8688   6.5581  ?   ?    42.552   17.571      ?      ? 
1 1 1   10   27   22 f  130.790   10.043   46.946   7.0977   0.0000   0.0000   46.946   7.0977  ?   ?   130.790   10.043      ?      ? 
1 1 1   10   27   23 o   54.568   14.781   6.6112   6.0810   1.5606   10.882   8.9044   7.3327   51.840   22.090   57.297   19.646 -5.456432 29.56213 
1 1 1   10   27   24 o  159.895   9.0615   67.037   6.8990   80.068   13.937   62.807   7.9401  168.612   15.296  151.179   9.7196 17.43289 18.12310 
1 1 1   10   27   25 o   70.629   14.239   7.5015   5.9417   31.329   12.078  -0.1066   6.8247  101.264   22.640   39.995   17.274 61.26869 28.47796 
1 1 1   10   27   26 o  219.633   10.932  133.372   12.974   0.0000   0.0000  133.372   12.974  ?   ?   219.633   10.932      ?      ? 
1 1 1   10   27   27 o  188.263   8.2545   98.422   8.3926   94.207   11.672  102.933   12.076  184.067   11.735  192.459   11.612 -8.392593 16.50898 
1 1 1   10   27   28 o   56.847   14.905   4.0466   6.9633  -5.9033   9.3162   16.642   10.482   39.963   18.452   73.730   23.413 -33.76639 29.81038 
1 1 1   10   27   29 o   62.048   15.888   9.8243   7.0016   5.6462   9.5126   14.764   10.343   53.966   21.571   70.129   23.332 -16.16366 31.77551 
1 1 1   10   27   30 o  103.251   13.973   31.951   7.6197   36.726   10.943   27.456   10.617  112.281   18.035   94.222   21.347 18.05944 27.94555 
1 1 1   10   27   31 o   81.370   15.999   20.960   7.3118   19.172   10.439   22.682   10.245   77.867   23.126   84.872   22.115 -7.005844 31.99856 
1 1 1   10   27   32 o  179.727   8.6170   91.239   8.3209   82.166   11.935   99.820   11.607  170.539   12.951  188.916   11.370 -18.37766 17.23398 
1 1 1   10   27   33 o  161.607   9.1618   74.095   7.9760   67.471   11.249   80.793   11.311  154.000   13.518  169.213   12.370 -15.21234 18.32352 
1 1 1   10   27   34 o  114.796   16.917   38.654   10.494   0.0000   0.0000   38.654   10.494  ?   ?   114.796   16.917      ?      ? 
1 1 1   10   27   35 o   79.612   15.320   19.754   7.2362   29.850   10.519   10.686   9.9699   97.719   20.572   61.505   22.706 36.21366 30.63980 
1 1 1   10   27   36 o   51.006   14.492   2.7079   6.7951   11.693   9.5765  -6.4029   9.6432   62.473   22.369   39.539   18.432 22.93475 28.98488 
1 1 1   10   27   37 o   52.101   14.647   2.6678   7.1055  -8.7129   10.207   13.369   9.8976   38.902   18.394   65.301   22.800 -26.39959 29.29417 
1 1 1   10   27   38 o   66.756   14.537   11.420   7.1518   26.607   10.321  -2.6066   9.9189   90.293   21.468   43.218   19.607 47.07497 29.07425 
1 1 1   10   27   39 o   83.806   15.707   23.910   7.3104   19.556   10.180   28.546   10.505   75.198   22.952   92.414   21.449 -17.21660 31.41455 
1 1 1   10   27   40 o   47.966   14.595   1.8516   7.0320   6.5836   9.9141  -2.9396   9.9758   53.367   21.770   42.566   19.446 10.80105 29.19072 
1 1 1   10   27   41 o   82.752   14.871   22.052   7.4479   36.960   10.912   9.0487   10.191  107.997   19.412   57.507   22.533 50.49052 29.74196 
1 1 1   10   27   42 f   58.757   25.557   7.2072   15.150   0.0000   0.0000   7.2072   15.150  ?   ?    58.757   25.557      ?      ? 
1 1 1   10   27   43 o   60.825   18.676   12.079   12.332  -2.4617   19.313   22.090   16.024   51.984   24.785   69.666   27.943 -17.68166 37.35139 
1 1 1   10   27   44 o   39.891   13.955 -19.5190   10.040 -20.5586   12.259 -17.4009   17.498   35.120   17.382   44.662   21.835 -9.542076 27.90919 
1 1 1   10   27   45 o   56.626   23.383   10.768   11.613   10.768   11.613   0.0000   0.0000   56.626   23.383  ?   ?       ?      ? 
1 1 1   10   28    0 o   45.905   14.395  -4.7004   7.4457 -12.2162   10.782   2.1501   10.294   39.613   18.781   52.196   21.821 -12.58318 28.79092 
1 1 1   10   28    2 o  348.394   12.215  332.960   22.995   0.0000   0.0000  332.960   22.995  ?   ?   348.394   12.215      ?      ? 
1 1 1   10   28    3 o  201.133   11.994  110.924   13.036   0.0000   0.0000  110.924   13.036  ?   ?   201.133   11.994      ?      ? 
1 1 1   10   28    4 o   47.760   21.220  -3.0704   10.967   0.0000   0.0000  -3.0704   10.967  ?   ?    47.760   21.220      ?      ? 
1 1 1   10   28    5 o  194.975   13.055  104.565   13.754   0.0000   0.0000  104.565   13.754  ?   ?   194.975   13.055      ?      ? 
1 1 1   10   28    6 f  149.337   15.457   61.810   12.473   0.0000   0.0000   61.810   12.473  ?   ?   149.337   15.457      ?      ? 
1 1 1   10   28    7 o  145.929   15.724   59.111   12.399   0.0000   0.0000   59.111   12.399  ?   ?   145.929   15.724      ?      ? 
1 1 1   10   28    9 o  168.166   14.432   78.296   13.115   0.0000   0.0000   78.296   13.115  ?   ?   168.166   14.432      ?      ? 
1 1 1   10   28   10 o  208.156   9.1510  118.283   10.293   0.0000   0.0000  118.283   10.293  ?   ?   208.156   9.1510      ?      ? 
1 1 1   10   28   11 o   28.698   14.168 -17.0796   7.9641   0.0000   0.0000 -17.0796   7.9641  ?   ?    28.698   14.168      ?      ? 
1 1 1   10   28   12 f  169.156   9.9843   78.334   9.1263   0.0000   0.0000   78.334   9.1263  ?   ?   169.156   9.9843      ?      ? 
1 1 1   10   28   13 o  105.797   13.509   30.993   7.7228   0.0000   0.0000   30.993   7.7228  ?   ?   105.797   13.509      ?      ? 
1 1 1   10   28   14 o  195.258   9.0565  104.184   9.5555   0.0000   0.0000  104.184   9.5555  ?   ?   195.258   9.0565      ?      ? 
1 1 1   10   28   15 o   65.772   19.384   12.572   7.3567   0.0000   0.0000   12.572   7.3567  ?   ?    65.772   19.384      ?      ? 
1 1 1   10   28   16 o  120.942   11.702   40.314   7.6479   0.0000   0.0000   40.314   7.6479  ?   ?   120.942   11.702      ?      ? 
1 1 1   10   28   17 o  274.339   8.1844  205.425   12.133   0.0000   0.0000  205.425   12.133  ?   ?   274.339   8.1844      ?      ? 
1 1 1   10   28   18 o   92.246   14.659   23.787   7.3068   0.0000   0.0000   23.787   7.3068  ?   ?    92.246   14.659      ?      ? 
1 1 1   10   28   19 f   61.481   18.897   10.946   6.8861   0.0000   0.0000   10.946   6.8861  ?   ?    61.481   18.897      ?      ? 
1 1 1   10   28   20 o   79.238   16.784   18.428   6.9630   0.0000   0.0000   18.428   6.9630  ?   ?    79.238   16.784      ?      ? 
1 1 1   10   28   21 o  196.923   8.6211  106.225   9.1737   0.0000   0.0000  106.225   9.1737  ?   ?   196.923   8.6211      ?      ? 
1 1 1   10   28   22 o  178.126   8.4274   86.899   8.1117   0.0000   0.0000   86.899   8.1117  ?   ?   178.126   8.4274      ?      ? 
1 1 1   10   28   23 o   89.635   14.304   22.621   6.9285   0.0000   0.0000   22.621   6.9285  ?   ?    89.635   14.304      ?      ? 
1 1 1   10   28   24 o   44.108   13.738  -0.1572   5.8071  -3.9414   11.489   1.1412   6.7300   46.834   21.188   41.382   17.491 5.451939 27.47501 
1 1 1   10   28   25 o  228.877   7.9205  147.553   9.1154  139.549   15.894  151.475   11.127  222.981   13.191  234.773   8.7710 -11.79167 15.84108 
1 1 1   10   28   26 o  157.598   8.8302   72.268   6.7867   62.523   12.139   76.700   8.1856  148.274   15.150  166.921   9.0751 -18.64696 17.66037 
1 1 1   10   28   27 f  127.665   11.691   47.042   8.0181   41.197   11.253   53.070   11.427  119.124   17.482  136.206   15.526 -17.08261 23.38114 
1 1 1   10   28   28 f   40.203   13.269  -9.0438   7.2961  -2.5074   10.226 -15.8213   10.413   45.033   20.215   35.373   17.194 9.660225 26.53827 
1 1 1   10   28   29 o  101.482   14.213   32.545   7.8563   53.170   11.306   13.287   10.925  135.971   15.388   66.993   23.902 68.97887 28.42694 
1 1 1   10   28   30 o   46.705   14.537  -0.5708   7.1692  -3.1463   10.153   1.9905   10.125   43.976   19.904   49.435   21.192 -5.458279 29.07370 
1 1 1   10   28   31 o   48.267   14.621   1.5075   6.9389   4.8150   9.4000  -2.4529   10.286   51.700   21.157   44.833   20.187 6.866795 29.24230 
1 1 1   10   28   32 o   58.649   15.160   7.7410   7.0660   16.452   9.7298  -1.9797   10.278   71.998   22.518   45.300   20.305 26.69781 30.32091 
1 1 1   10   28   33 o  104.902   13.898   33.770   7.6971   38.003   11.047   29.777   10.731  112.854   18.115   96.950   21.083 15.90401 27.79675 
1 1 1   10   28   34 o   42.991   13.793  -3.7821   7.0016  -7.7876   9.5125   0.9534   10.343   38.000   17.903   47.982   20.988 -9.982639 27.58621 
1 1 1   10   28   35 o   51.117   16.033   0.7387   8.6871   3.1992   10.773  -3.8356   14.689   51.190   21.900   51.044   23.422 0.1461830 32.06539 
1 1 1   10   28   36 o  112.598   16.026   38.131   8.8140   31.081   10.459   55.405   16.372   98.002   20.413  127.194   24.711 -29.19245 32.05177 
1 1 1   10   28   37 o   69.756   18.701   15.064   9.6542   8.4820   12.240   25.901   15.705   57.974   23.978   81.538   28.704 -23.56409 37.40158 
1 1 1   10   28   38 o   81.378   18.348   19.239   9.5823   7.5450   11.819   41.667   16.369   56.933   23.556  105.824   28.138 -48.89056 36.69656 
1 1 1   10   28   39 o   57.728   17.475   4.7816   9.5597  -0.3948   12.190   13.052   15.408   49.104   22.055   66.351   27.112 -17.24622 34.94938 
1 1 1   10   28   40 o   67.016   18.816   14.037   9.9320   7.5045   12.355   25.968   16.698   55.642   23.619   78.389   29.297 -22.74738 37.63176 
1 1 1   10   28   41 o   54.183   17.064   5.5375   9.6788   0.7072   12.076   14.216   16.186   46.763   21.376   61.603   26.605 -14.84029 34.12867 
1 1 1   10   28   42 o   63.479   17.721   14.410   9.3303   18.615   11.981   7.9302   14.873   69.664   25.012   57.293   25.111 12.37091 35.44292 
1 1 1   10   28   43 o   50.604   16.415   2.1153   9.8982  -1.5462   12.652   7.8919   15.892   45.514   21.182   55.693   25.083 -10.17965 32.83041 
1 1 1   10   29    0 o  167.823   13.234   77.906   12.002   0.0000   0.0000   77.906   12.002  ?   ?   167.823   13.234      ?      ? 
1 1 1   10   29    1 o  302.833   7.3282  249.591   11.992   0.0000   0.0000  249.591   11.992  ?   ?   302.833   7.3282      ?      ? 
1 1 1   10   29    2 o  202.326   8.5497  111.706   9.3474   0.0000   0.0000  111.706   9.3474  ?   ?   202.326   8.5497      ?      ? 
1 1 1   10   29    3 f  157.020   13.489   68.280   11.446   0.0000   0.0000   68.280   11.446  ?   ?   157.020   13.489      ?      ? 
1 1 1   10   29    4 o  101.591   14.130   28.655   7.7566   0.0000   0.0000   28.655   7.7566  ?   ?   101.591   14.130      ?      ? 
1 1 1   10   29    5 o   73.702   18.643   15.960   7.4303   0.0000   0.0000   15.960   7.4303  ?   ?    73.702   18.643      ?      ? 
1 1 1   10   29    6 o  236.562   8.5466  152.757   10.925   0.0000   0.0000  152.757   10.925  ?   ?   236.562   8.5466      ?      ? 
1 1 1   10   29    7 o  150.320   11.120   62.130   9.0325   0.0000   0.0000   62.130   9.0325  ?   ?   150.320   11.120      ?      ? 
1 1 1   10   29    8 o   47.932   19.154   3.7218   7.4988   0.0000   0.0000   3.7218   7.4988  ?   ?    47.932   19.154      ?      ? 
1 1 1   10   29    9 o   66.009   19.973   12.643   7.7332   0.0000   0.0000   12.643   7.7332  ?   ?    66.009   19.973      ?      ? 
1 1 1   10   29   10 o   50.102   21.284   1.3801   10.047   0.0000   0.0000   1.3801   10.047  ?   ?    50.102   21.284      ?      ? 
1 1 1   10   29   11 o  102.378   22.627   31.574   12.185   0.0000   0.0000   31.574   12.185  ?   ?   102.378   22.627      ?      ? 
1 1 1   10   29   12 o  128.127   18.127   46.711   12.550   0.0000   0.0000   46.711   12.550  ?   ?   128.127   18.127      ?      ? 
1 1 1   10   29   13 o   58.213   23.565   5.7532   11.511   0.0000   0.0000   5.7532   11.511  ?   ?    58.213   23.565      ?      ? 
1 1 1   10   29   14 o  102.775   21.320   31.760   11.452   0.0000   0.0000   31.760   11.452  ?   ?   102.775   21.320      ?      ? 
1 1 1   10   29   15 o  157.288   15.142   69.652   12.870   0.0000   0.0000   69.652   12.870  ?   ?   157.288   15.142      ?      ? 
1 1 1   10   29   16 o  145.276   16.283   59.839   12.782   0.0000   0.0000   59.839   12.782  ?   ?   145.276   16.283      ?      ? 
1 1 1   10   29   17 o  140.138   17.296   56.089   13.097   0.0000   0.0000   56.089   13.097  ?   ?   140.138   17.296      ?      ? 
1 1 1   10   29   18 o  217.997   12.331  132.286   14.526   0.0000   0.0000  132.286   14.526  ?   ?   217.997   12.331      ?      ? 
1 1 1   10   29   19 o   52.352   22.249   2.2940   10.987   0.0000   0.0000   2.2940   10.987  ?   ?    52.352   22.249      ?      ? 
1 1 1   10   29   20 o  125.207   17.388   45.175   11.764   0.0000   0.0000   45.175   11.764  ?   ?   125.207   17.388      ?      ? 
1 1 1   10   29   21 o   43.306   19.994  -6.5465   10.937   0.0000   0.0000  -6.5465   10.937  ?   ?    43.306   19.994      ?      ? 
1 1 1   10   29   22 o  136.475   16.968   53.628   12.514   0.0000   0.0000   53.628   12.514  ?   ?   136.475   16.968      ?      ? 
1 1 1   10   29   23 o   91.025   24.418   26.487   12.259   0.0000   0.0000   26.487   12.259  ?   ?    91.025   24.418      ?      ? 
1 1 1   10   29   24 o  152.787   19.015   68.851   15.699   0.0000   0.0000   68.851   15.699  ?   ?   152.787   19.015      ?      ? 
1 1 1   10   29   25 o  160.974   11.543   73.598   9.8312   68.536   12.522   81.734   15.874  154.731   14.976  167.217   17.568 -12.48586 23.08505 
1 1 1   10   29   26 f  110.395   15.744   39.476   9.0034   45.811   11.776   30.563   13.968  125.041   17.429   95.748   26.225 29.29301 31.48816 
1 1 1   10   29   27 o   47.007   15.160  -6.1884   8.9667   1.9536   11.786 -17.3761   13.816   52.305   22.646   41.708   20.162 10.59647 30.32058 
1 1 1   10   29   28 o   56.017   16.950   3.8057   9.0249   2.9392   11.855   5.0000   13.918   53.399   22.912   58.635   24.983 -5.236691 33.89909 
1 1 1   10   29   29 o   53.958   16.570   2.2985   8.8972   3.8761   11.432  -0.1249   14.169   53.804   22.772   54.112   24.077 -0.3083458 33.14035 
1 1 1   10   29   30 o   81.824   17.343   17.735   8.7947   6.5923   10.839   39.212   15.047   56.043   22.801  107.605   26.138 -51.56205 34.68560 
1 1 1   10   29   31 o   46.098   14.944  -6.8092   8.2392 -13.0563   10.431   3.5541   13.435   36.529   17.624   55.667   24.140 -19.13757 29.88859 
1 1 1   10   29   32 o   51.820   16.255  -0.5452   8.9418  -4.9302   11.544   6.0315   14.138   44.677   20.597   58.964   25.153 -14.28630 32.51038 
1 1 1   10   29   33 o  102.718   16.994   35.959   9.1140   36.284   11.669   35.450   14.594  105.838   21.144   99.599   26.610 6.239265 33.98773 
1 1 1   10   29   34 o   65.721   18.099   11.752   9.4663   3.8986   12.225   23.514   14.960   52.828   22.968   78.615   27.979 -25.78730 36.19854 
1 1 1   10   29   35 o  104.383   17.017   41.249   9.9132   51.802   12.535   23.626   16.199  129.890   17.858   78.875   28.971 51.01507 34.03320 
1 1 1   10   29   36 o  109.947   14.665   34.334   9.1944   79.459   15.263   8.6295   11.519  161.731   17.464   58.162   23.563 103.5697 29.32966 
1 1 1   10   29   37 o   78.891   16.985   20.830   8.3644   32.523   12.637   11.715   11.158   96.185   24.304   61.598   23.732 34.58691 33.96955 
1 1 1   10   29   38 o   41.094   13.538  -4.7861   7.5246   1.2626   10.474 -11.2377   10.817   45.543   20.450   36.646   17.745 8.896458 27.07551 
1 1 1   10   29   39 o   37.019   12.571 -10.7236   7.3944  -3.4410   10.581 -17.6763   10.338   41.653   19.381   32.385   16.017 9.268116 25.14280 
1 1 1   10   29   40 o   81.499   16.616   24.899   7.7995   28.383   11.021   21.404   11.040   88.084   22.930   74.914   24.054 13.16987 33.23225 
1 1 1   10   29   41 o  111.730   18.532   58.237   12.408   33.649   19.591   74.707   16.034   77.627   30.980  145.833   20.346 -68.20621 37.06431 
1 1 1   10   30    0 o  177.696   9.8804   86.732   9.4873   0.0000   0.0000   86.732   9.4873  ?   ?   177.696   9.8804      ?      ? 
1 1 1   10   30    1 o   43.508   18.257   1.4549   7.2473   0.0000   0.0000   1.4549   7.2473  ?   ?    43.508   18.257      ?      ? 
1 1 1   10   30    2 o  165.350   9.6517   75.060   8.6238   0.0000   0.0000   75.060   8.6238  ?   ?   165.350   9.6517      ?      ? 
1 1 1   10   30    3 o   46.188   18.950   2.7110   7.5657   0.0000   0.0000   2.7110   7.5657  ?   ?    46.188   18.950      ?      ? 
1 1 1   10   30    4 o  229.779   7.9951  144.270   9.9271   0.0000   0.0000  144.270   9.9271  ?   ?   229.779   7.9951      ?      ? 
1 1 1   10   30    5 o  128.407   11.974   45.697   8.3086   0.0000   0.0000   45.697   8.3086  ?   ?   128.407   11.974      ?      ? 
1 1 1   10   30    6 o  184.916   9.0245   93.757   9.0175   0.0000   0.0000   93.757   9.0175  ?   ?   184.916   9.0245      ?      ? 
1 1 1   10   30    7 o   32.320   15.328  -8.0327   7.1916   0.0000   0.0000  -8.0327   7.1916  ?   ?    32.320   15.328      ?      ? 
1 1 1   10   30    8 o   77.484   18.309   17.856   7.5442   0.0000   0.0000   17.856   7.5442  ?   ?    77.484   18.309      ?      ? 
1 1 1   10   30    9 o   73.572   19.164   16.193   7.6947   0.0000   0.0000   16.193   7.6947  ?   ?    73.572   19.164      ?      ? 
1 1 1   10   30   10 o  273.711   13.770  209.723   20.367   0.0000   0.0000  209.723   20.367  ?   ?   273.711   13.770      ?      ? 
1 1 1   10   30   11 o   52.834   19.502   6.8288   7.3541   0.0000   0.0000   6.8288   7.3541  ?   ?    52.834   19.502      ?      ? 
1 1 1   10   30   12 o   94.453   14.517   25.129   7.4096   0.0000   0.0000   25.129   7.4096  ?   ?    94.453   14.517      ?      ? 
1 1 1   10   30   13 o  145.913   10.077   58.754   7.9457   0.0000   0.0000   58.754   7.9457  ?   ?   145.913   10.077      ?      ? 
1 1 1   10   30   14 o   70.940   18.593   15.142   7.2136   0.0000   0.0000   15.142   7.2136  ?   ?    70.940   18.593      ?      ? 
1 1 1   10   30   15 o  156.848   9.7160   67.861   8.2348   0.0000   0.0000   67.861   8.2348  ?   ?   156.848   9.7160      ?      ? 
1 1 1   10   30   16 o   97.583   14.510   26.939   7.6511   0.0000   0.0000   26.939   7.6511  ?   ?    97.583   14.510      ?      ? 
1 1 1   10   30   17 o  218.119   9.3477  131.098   11.018   0.0000   0.0000  131.098   11.018  ?   ?   218.119   9.3477      ?      ? 
1 1 1   10   30   18 o  162.714   9.7770   73.146   8.5964   0.0000   0.0000   73.146   8.5964  ?   ?   162.714   9.7770      ?      ? 
1 1 1   10   30   19 o   50.128   19.031   5.8768   7.1077   0.0000   0.0000   5.8768   7.1077  ?   ?    50.128   19.031      ?      ? 
1 1 1   10   30   20 o  179.861   11.726   90.505   11.397   0.0000   0.0000   90.505   11.397  ?   ?   179.861   11.726      ?      ? 
1 1 1   10   30   21 o  114.725   12.256   36.990   7.5978   0.0000   0.0000   36.990   7.5978  ?   ?   114.725   12.256      ?      ? 
1 1 1   10   30   22 o  145.581   10.013   58.861   7.8769   0.0000   0.0000   58.861   7.8769  ?   ?   145.581   10.013      ?      ? 
1 1 1   10   30   23 o   30.194   14.492  -8.8123   6.8427   0.0000   0.0000  -8.8123   6.8427  ?   ?    30.194   14.492      ?      ? 
1 1 1   10   30   24 o   68.186   18.879   14.364   7.1934   0.0000   0.0000   14.364   7.1934  ?   ?    68.186   18.879      ?      ? 
1 1 1   10   30   25 o   95.821   13.901   26.458   6.5838   34.730   11.836   22.752   7.9227  104.983   21.585   86.659   17.521 18.32336 27.80116 
1 1 1   10   30   26 o   42.021   13.085  -1.2552   6.0076 -12.2140   10.981   3.4265   7.1770   38.600   18.482   45.442   18.529 -6.841801 26.17019 
1 1 1   10   30   27 o   57.362   14.941   9.4069   6.2231   1.9023   11.984   12.178   7.2818   52.025   22.678   62.699   19.459 -10.67447 29.88236 
1 1 1   10   30   28 o   96.629   14.316   26.289   6.6291   38.716   12.890   21.821   7.7295  109.041   22.618   84.216   17.554 24.82533 28.63106 
1 1 1   10   30   29 o   58.156   16.274   8.2795   7.7006   4.7860   10.871   11.798   10.910   53.235   22.351   63.077   23.660 -9.841854 32.54766 
1 1 1   10   30   30 o   84.798   15.696   24.886   7.7510   33.374   10.510   14.764   11.477  102.392   19.711   67.204   24.431 35.18716 31.39101 
1 1 1   10   30   31 o   73.038   16.791   18.204   7.7954   12.737   10.653   24.507   11.438   62.870   23.419   83.206   24.069 -20.33676 33.58259 
1 1 1   10   30   32 o   48.566   14.915   2.0074   7.4137   5.4139   9.8662  -2.4106   11.236   51.682   21.464   45.450   20.715 6.231636 29.82944 
1 1 1   10   30   33 o  172.958   9.8508   87.062   9.1954   91.057   13.416   83.523   12.629  176.574   14.060  169.343   13.801 7.230972 19.70157 
1 1 1   10   30   34 o   53.024   15.625   3.8709   7.7712  -3.0550   10.611   11.884   11.413   43.745   20.012   62.302   24.002 -18.55632 31.25047 
1 1 1   10   30   35 o   62.465   16.553   13.346   7.8839   7.4887   11.364   18.782   10.947   54.149   22.799   70.781   24.005 -16.63224 33.10692 
1 1 1   10   30   36 o   54.141   15.976   8.9024   7.7843   9.3329   11.048   8.4780   10.970   54.699   22.714   53.583   22.472 1.115681 31.95236 
1 1 1   10   30   37 o   69.118   20.391   17.373   12.089   29.009   20.749   11.394   14.874   77.620   31.560   60.616   25.827 17.00478 40.78113 
1 1 1   10   30   38 o   64.106   19.607   14.539   12.079   27.140   19.967   7.2658   15.170   72.957   30.436   55.255   24.725 17.70264 39.21329 
1 1 1   10   30   39 o   56.090   18.154   3.9682   11.953   24.527   19.911  -7.6171   14.947   68.118   29.463   44.061   21.217 24.05647 36.30751 
1 1 1   10   31    0 f   54.691   19.480   7.9161   7.2535   0.0000   0.0000   7.9161   7.2535  ?   ?    54.691   19.480      ?      ? 
1 1 1   10   31    1 o  115.360   12.473   37.154   7.7754   0.0000   0.0000   37.154   7.7754  ?   ?   115.360   12.473      ?      ? 
1 1 1   10   31    2 o   53.842   19.647   7.3878   7.4318   0.0000   0.0000   7.3878   7.4318  ?   ?    53.842   19.647      ?      ? 
1 1 1   10   31    3 o   89.023   17.037   23.388   7.8968   0.0000   0.0000   23.388   7.8968  ?   ?    89.023   17.037      ?      ? 
1 1 1   10   31    4 o   99.943   14.093   28.161   7.6109   0.0000   0.0000   28.161   7.6109  ?   ?    99.943   14.093      ?      ? 
1 1 1   10   31    5 o   95.882   14.639   26.013   7.5846   0.0000   0.0000   26.013   7.5846  ?   ?    95.882   14.639      ?      ? 
1 1 1   10   31    6 o   59.306   19.928   10.027   7.5430   0.0000   0.0000   10.027   7.5430  ?   ?    59.306   19.928      ?      ? 
1 1 1   10   31    7 o  214.435   9.4595  126.712   10.961   0.0000   0.0000  126.712   10.961  ?   ?   214.435   9.4595      ?      ? 
1 1 1   10   31    8 o  102.396   13.729   29.522   7.5967   0.0000   0.0000   29.522   7.5967  ?   ?   102.396   13.729      ?      ? 
1 1 1   10   31    9 o  135.504   12.068   51.237   8.8362   0.0000   0.0000   51.237   8.8362  ?   ?   135.504   12.068      ?      ? 
1 1 1   10   31   10 o  110.299   16.266   34.855   9.6948   0.0000   0.0000   34.855   9.6948  ?   ?   110.299   16.266      ?      ? 
1 1 1   10   31   11 o  102.982   13.453   29.864   7.4865   0.0000   0.0000   29.864   7.4865  ?   ?   102.982   13.453      ?      ? 
1 1 1   10   31   12 o  121.082   11.910   40.964   7.7924   0.0000   0.0000   40.964   7.7924  ?   ?   121.082   11.910      ?      ? 
1 1 1   10   31   13 o   97.905   14.365   27.225   7.5998   0.0000   0.0000   27.225   7.5998  ?   ?    97.905   14.365      ?      ? 
1 1 1   10   31   14 o   78.103   18.054   18.467   7.4671   0.0000   0.0000   18.467   7.4671  ?   ?    78.103   18.054      ?      ? 
1 1 1   10   31   15 o  165.865   9.2785   76.015   8.3161   0.0000   0.0000   76.015   8.3161  ?   ?   165.865   9.2785      ?      ? 
1 1 1   10   31   16 o  191.314   8.3987  100.778   8.6825   0.0000   0.0000  100.778   8.6825  ?   ?   191.314   8.3987      ?      ? 
1 1 1   10   31   17 o  169.228   9.7675   79.437   8.9319   0.0000   0.0000   79.437   8.9319  ?   ?   169.228   9.7675      ?      ? 
1 1 1   10   31   18 o   42.073   17.973   1.0679   7.2373   0.0000   0.0000   1.0679   7.2373  ?   ?    42.073   17.973      ?      ? 
1 1 1   10   31   19 o   40.199   17.422   0.2124   6.9901   0.0000   0.0000   0.2124   6.9901  ?   ?    40.199   17.422      ?      ? 
1 1 1   10   31   20 o   53.474   19.830   7.5082   7.6210   0.0000   0.0000   7.5082   7.6210  ?   ?    53.474   19.830      ?      ? 
1 1 1   10   31   21 o   52.546   19.302   7.2986   7.1909   0.0000   0.0000   7.2986   7.1909  ?   ?    52.546   19.302      ?      ? 
1 1 1   10   31   22 o   45.053   18.354   3.3837   7.0344   0.0000   0.0000   3.3837   7.0344  ?   ?    45.053   18.354      ?      ? 
1 1 1   10   31   23 o   32.370   15.318  -6.9712   7.1069   0.0000   0.0000  -6.9712   7.1069  ?   ?    32.370   15.318      ?      ? 
1 1 1   10   31   24 o  139.322   10.573   54.493   7.9600   0.0000   0.0000   54.493   7.9600  ?   ?   139.322   10.573      ?      ? 
1 1 1   10   31   25 o   86.924   16.176   22.825   7.3185   0.0000   0.0000   22.825   7.3185  ?   ?    86.924   16.176      ?      ? 
1 1 1   10   31   26 o   73.307   15.204   18.399   6.6213   12.266   11.172   21.720   8.2206   63.600   23.926   83.014   18.767 -19.41419 30.40761 
1 1 1   10   31   27 o  133.343   11.252   56.521   7.0919   44.752   12.734   61.813   8.5389  119.033   19.797  147.653   10.702 -28.61962 22.50443 
1 1 1   10   31   28 o   50.598   14.956   5.1951   6.5133   1.9149   12.386   6.4489   7.6575   51.076   22.629   50.120   19.562 0.9550743 29.91218 
1 1 1   10   31   29 o   33.260   11.521 -14.0705   6.5828 -16.0946   11.153 -12.9886   8.1547   35.947   17.544   30.573   14.939 5.374325 23.04267 
1 1 1   10   31   30 o  113.992   15.176   42.355   9.0910   37.410   13.120   46.922   12.608  104.901   23.704  123.082   18.957 -18.18097 30.35212 
1 1 1   10   31   31 o   49.738   14.740  -5.6788   8.1735 -25.0267   11.349   15.170   11.781   32.243   16.085   67.233   24.705 -34.98974 29.48001 
1 1 1   10   31   32 o  114.111   19.522   49.110   10.833   58.333   22.107   46.195   12.428  109.662   33.884  118.559   19.398 -8.897133 39.04384 
1 1 1   10   31   33 o   70.538   21.109   24.174   13.680   28.221   21.665   21.491   17.641   72.692   31.076   68.384   28.576 4.307091 42.21733 
1 1 1   10   31   34 o   87.975   21.772   36.544   13.034   32.477   20.872   39.144   16.688   80.906   32.075   95.044   29.451 -14.13795 43.54498 
1 1 1   10   31   35 o   56.276   18.529  -3.5068   13.413   23.468   21.889 -19.7275   16.974   70.167   30.616   42.384   20.879 27.78204 37.05760 
1 1 1   10   31   36 o   70.755   19.705   23.563   13.416  -1.4840   21.331   39.955   17.256   52.770   25.394   88.739   30.139 -35.96915 39.41066 
1 1 1   10   32    0 o   71.517   18.721   15.578   7.3195   0.0000   0.0000   15.578   7.3195  ?   ?    71.517   18.721      ?      ? 
1 1 1   10   32    1 o   62.701   20.801   11.626   8.2223   0.0000   0.0000   11.626   8.2223  ?   ?    62.701   20.801      ?      ? 
1 1 1   10   32    2 o   70.080   19.386   15.023   7.5889   0.0000   0.0000   15.023   7.5889  ?   ?    70.080   19.386      ?      ? 
1 1 1   10   32    3 o   46.915   19.242   3.3006   7.7978   0.0000   0.0000   3.3006   7.7978  ?   ?    46.915   19.242      ?      ? 
1 1 1   10   32    4 o  107.205   13.652   32.552   7.9087   0.0000   0.0000   32.552   7.9087  ?   ?   107.205   13.652      ?      ? 
1 1 1   10   32    5 o   50.852   19.510   5.9794   7.5195   0.0000   0.0000   5.9794   7.5195  ?   ?    50.852   19.510      ?      ? 
1 1 1   10   32    6 o   72.923   18.789   16.270   7.4497   0.0000   0.0000   16.270   7.4497  ?   ?    72.923   18.789      ?      ? 
1 1 1   10   32    7 o  111.765   12.917   35.259   7.8009   0.0000   0.0000   35.259   7.8009  ?   ?   111.765   12.917      ?      ? 
1 1 1   10   32    8 o   35.899   16.527  -4.4384   7.3964   0.0000   0.0000  -4.4384   7.3964  ?   ?    35.899   16.527      ?      ? 
1 1 1   10   32    9 o   85.891   17.422   22.221   7.8097   0.0000   0.0000   22.221   7.8097  ?   ?    85.891   17.422      ?      ? 
1 1 1   10   32   10 o   68.586   18.823   14.452   7.1874   0.0000   0.0000   14.452   7.1874  ?   ?    68.586   18.823      ?      ? 
1 1 1   10   32   11 o  143.597   14.014   58.873   10.875   0.0000   0.0000   58.873   10.875  ?   ?   143.597   14.014      ?      ? 
1 1 1   10   32   12 o   35.121   16.169  -4.1996   7.0796   0.0000   0.0000  -4.1996   7.0796  ?   ?    35.121   16.169      ?      ? 
1 1 1   10   32   13 o   82.811   17.444   20.811   7.5594   0.0000   0.0000   20.811   7.5594  ?   ?    82.811   17.444      ?      ? 
1 1 1   10   32   14 o  181.987   8.8692   91.587   8.7219   0.0000   0.0000   91.587   8.7219  ?   ?   181.987   8.8692      ?      ? 
1 1 1   10   32   15 o  129.922   11.273   47.328   7.9146   0.0000   0.0000   47.328   7.9146  ?   ?   129.922   11.273      ?      ? 
1 1 1   10   32   16 o   31.936   15.202  -7.9734   7.2040   0.0000   0.0000  -7.9734   7.2040  ?   ?    31.936   15.202      ?      ? 
1 1 1   10   32   17 o   60.000   19.842   10.840   7.4840   0.0000   0.0000   10.840   7.4840  ?   ?    60.000   19.842      ?      ? 
1 1 1   10   32   18 o  102.980   14.329   30.613   7.9737   0.0000   0.0000   30.613   7.9737  ?   ?   102.980   14.329      ?      ? 
1 1 1   10   32   19 o  136.659   10.936   52.556   8.0761   0.0000   0.0000   52.556   8.0761  ?   ?   136.659   10.936      ?      ? 
1 1 1   10   32   20 o   48.556   19.168   5.2323   7.4245   0.0000   0.0000   5.2323   7.4245  ?   ?    48.556   19.168      ?      ? 
1 1 1   10   32   21 o  109.921   12.870   34.587   7.6442   0.0000   0.0000   34.587   7.6442  ?   ?   109.921   12.870      ?      ? 
1 1 1   10   32   22 o   62.452   19.258   12.345   7.1450   0.0000   0.0000   12.345   7.1450  ?   ?    62.452   19.258      ?      ? 
1 1 1   10   32   23 o   47.213   19.042   4.8194   7.4862   0.0000   0.0000   4.8194   7.4862  ?   ?    47.213   19.042      ?      ? 
1 1 1   10   32   24 o  148.350   14.339   64.941   11.495   0.0000   0.0000   64.941   11.495  ?   ?   148.350   14.339      ?      ? 
1 1 1   10   32   25 o   27.430   13.635 -17.2357   7.8592   0.0000   0.0000 -17.2357   7.8592  ?   ?    27.430   13.635      ?      ? 
1 1 1   10   32   26 o   71.767   19.854   16.732   7.9591   0.0000   0.0000   16.732   7.9591  ?   ?    71.767   19.854      ?      ? 
1 1 1   10   32   27 o   43.402   19.206  -0.0642   8.8972   0.0000   0.0000  -0.0642   8.8972  ?   ?    43.402   19.206      ?      ? 
1 1 1   10   32   28 o   88.226   20.947   26.208   9.8370   0.0000   0.0000   26.208   9.8370  ?   ?    88.226   20.947      ?      ? 
1 1 1   10   32   29 f   43.189   19.630  -0.2980   10.003   0.0000   0.0000  -0.2980   10.003  ?   ?    43.189   19.630      ?      ? 
1 1 1   10   32   30 o   45.987   19.772   3.8452   8.8600   0.0000   0.0000   3.8452   8.8600  ?   ?    45.987   19.772      ?      ? 
1 1 1   10   32   31 o   68.389   28.558   18.608   17.601   0.0000   0.0000   18.608   17.601  ?   ?    68.389   28.558      ?      ? 
1 1 1   10   32   32 o   57.923   17.522   10.472   9.0825   10.147   10.594   11.372   17.644   55.799   22.600   60.047   26.782 -4.247829 35.04337 
1 1 1   10   32   33 o   49.419   15.151   4.7146   7.6083  -0.7377   10.232   11.458   11.379   42.334   19.471   56.504   23.218 -14.16949 30.30150 
1 1 1   10   33    0 o  104.419   14.551   31.325   8.2101   0.0000   0.0000   31.325   8.2101  ?   ?   104.419   14.551      ?      ? 
1 1 1   10   33    1 o   79.511   18.416   19.436   7.7570   0.0000   0.0000   19.436   7.7570  ?   ?    79.511   18.416      ?      ? 
1 1 1   10   33    2 o   74.299   19.495   17.195   7.9253   0.0000   0.0000   17.195   7.9253  ?   ?    74.299   19.495      ?      ? 
1 1 1   10   33    3 o   84.256   17.762   21.603   7.8319   0.0000   0.0000   21.603   7.8319  ?   ?    84.256   17.762      ?      ? 
1 1 1   10   33    4 o   41.944   18.199   0.2995   7.6438   0.0000   0.0000   0.2995   7.6438  ?   ?    41.944   18.199      ?      ? 
1 1 1   10   33    5 o  115.765   12.765   37.961   7.9853   0.0000   0.0000   37.961   7.9853  ?   ?   115.765   12.765      ?      ? 
1 1 1   10   33    6 o   43.528   18.352   1.8782   7.3795   0.0000   0.0000   1.8782   7.3795  ?   ?    43.528   18.352      ?      ? 
1 1 1   10   33    7 o   37.058   16.782  -2.7879   7.2276   0.0000   0.0000  -2.7879   7.2276  ?   ?    37.058   16.782      ?      ? 
1 1 1   10   33    8 o   44.892   18.671   2.6692   7.4810   0.0000   0.0000   2.6692   7.4810  ?   ?    44.892   18.671      ?      ? 
1 1 1   10   33    9 o  138.846   10.668   53.929   8.0042   0.0000   0.0000   53.929   8.0042  ?   ?   138.846   10.668      ?      ? 
1 1 1   10   33   10 f   66.128   19.796   13.657   7.6265   0.0000   0.0000   13.657   7.6265  ?   ?    66.128   19.796      ?      ? 
1 1 1   10   33   11 o   85.566   17.257   22.339   7.7038   0.0000   0.0000   22.339   7.7038  ?   ?    85.566   17.257      ?      ? 
1 1 1   10   33   12 o   59.549   20.102   10.763   7.6759   0.0000   0.0000   10.763   7.6759  ?   ?    59.549   20.102      ?      ? 
1 1 1   10   33   13 o  136.069   10.972   52.136   8.0674   0.0000   0.0000   52.136   8.0674  ?   ?   136.069   10.972      ?      ? 
1 1 1   10   33   14 o   94.595   15.489   26.214   7.9171   0.0000   0.0000   26.214   7.9171  ?   ?    94.595   15.489      ?      ? 
1 1 1   10   33   15 o   81.398   18.120   20.603   7.7649   0.0000   0.0000   20.603   7.7649  ?   ?    81.398   18.120      ?      ? 
1 1 1   10   33   16 o  140.885   11.238   56.164   8.5551   0.0000   0.0000   56.164   8.5551  ?   ?   140.885   11.238      ?      ? 
1 1 1   10   33   17 f  168.563   12.777   81.902   11.638   0.0000   0.0000   81.902   11.638  ?   ?   168.563   12.777      ?      ? 
1 1 1   10   33   18 o   37.908   17.156  -2.0441   7.5402   0.0000   0.0000  -2.0441   7.5402  ?   ?    37.908   17.156      ?      ? 
1 1 1   10   33   19 o   81.174   18.031   20.974   7.7034   0.0000   0.0000   20.974   7.7034  ?   ?    81.174   18.031      ?      ? 
1 1 1   10   33   20 o   53.255   19.642   8.1772   7.4570   0.0000   0.0000   8.1772   7.4570  ?   ?    53.255   19.642      ?      ? 
1 1 1   10   33   21 o   43.572   19.139   0.4774   8.6816   0.0000   0.0000   0.4774   8.6816  ?   ?    43.572   19.139      ?      ? 
1 1 1   10   33   22 o  106.556   17.695   34.583   10.188   0.0000   0.0000   34.583   10.188  ?   ?   106.556   17.695      ?      ? 
1 1 1   10   33   23 o   44.399   19.663   0.1009   9.3443   0.0000   0.0000   0.1009   9.3443  ?   ?    44.399   19.663      ?      ? 
1 1 1   10   33   24 o   45.353   19.962   1.3366   9.4865   0.0000   0.0000   1.3366   9.4865  ?   ?    45.353   19.962      ?      ? 
1 1 1   10   33   25 o   59.813   22.127   12.800   9.4776   0.0000   0.0000   12.800   9.4776  ?   ?    59.813   22.127      ?      ? 
1 1 1   10   33   26 o   55.539   22.191   10.208   10.063   0.0000   0.0000   10.208   10.063  ?   ?    55.539   22.191      ?      ? 
1 1 1   10   33   27 o   51.959   20.529   7.8004   8.5232   0.0000   0.0000   7.8004   8.5232  ?   ?    51.959   20.529      ?      ? 
1 1 1   10   33   28 o   56.130   20.393   10.495   7.9948   0.0000   0.0000   10.495   7.9948  ?   ?    56.130   20.393      ?      ? 
1 1 1   10   33   29 o   59.608   15.532   13.267   6.4968   10.827   12.318   14.208   7.6469   56.510   23.762   62.705   20.007 -6.194901 31.06354 
1 1 1   10   34    0 o   65.979   20.176   13.774   7.8616   0.0000   0.0000   13.774   7.8616  ?   ?    65.979   20.176      ?      ? 
1 1 1   10   34    1 f   79.769   18.392   19.848   7.7656   0.0000   0.0000   19.848   7.7656  ?   ?    79.769   18.392      ?      ? 
1 1 1   10   34    2 o   34.405   16.072  -5.5409   7.3921   0.0000   0.0000  -5.5409   7.3921  ?   ?    34.405   16.072      ?      ? 
1 1 1   10   34    3 o  115.922   13.283   38.570   8.3207   0.0000   0.0000   38.570   8.3207  ?   ?   115.922   13.283      ?      ? 
1 1 1   10   34    4 f  103.487   15.011   31.253   8.3944   0.0000   0.0000   31.253   8.3944  ?   ?   103.487   15.011      ?      ? 
1 1 1   10   34    5 o   59.423   20.154   10.775   7.7162   0.0000   0.0000   10.775   7.7162  ?   ?    59.423   20.154      ?      ? 
1 1 1   10   34    6 o   73.774   19.628   17.366   7.9619   0.0000   0.0000   17.366   7.9619  ?   ?    73.774   19.628      ?      ? 
1 1 1   10   34    7 o   95.563   15.496   26.904   8.0021   0.0000   0.0000   26.904   8.0021  ?   ?    95.563   15.496      ?      ? 
1 1 1   10   34    8 o  133.727   11.881   50.996   8.5853   0.0000   0.0000   50.996   8.5853  ?   ?   133.727   11.881      ?      ? 
1 1 1   10   34    9 o   48.689   19.395   5.4183   7.6652   0.0000   0.0000   5.4183   7.6652  ?   ?    48.689   19.395      ?      ? 
1 1 1   10   34   10 o   41.686   18.233   0.5629   7.8051   0.0000   0.0000   0.5629   7.8051  ?   ?    41.686   18.233      ?      ? 
1 1 1   10   34   11 o  122.283   12.870   43.389   8.5043   0.0000   0.0000   43.389   8.5043  ?   ?   122.283   12.870      ?      ? 
1 1 1   10   34   12 o   46.844   19.236   4.3314   7.8044   0.0000   0.0000   4.3314   7.8044  ?   ?    46.844   19.236      ?      ? 
1 1 1   10   34   13 f  141.829   12.066   57.819   9.2475   0.0000   0.0000   57.819   9.2475  ?   ?   141.829   12.066      ?      ? 
1 1 1   10   34   14 o   53.968   22.113   6.6716   10.285   0.0000   0.0000   6.6716   10.285  ?   ?    53.968   22.113      ?      ? 
1 1 1   10   34   15 o   33.308   16.281 -15.0518   9.7142   0.0000   0.0000 -15.0518   9.7142  ?   ?    33.308   16.281      ?      ? 
1 1 1   10   34   16 o   59.295   23.010   10.048   10.548   0.0000   0.0000   10.048   10.548  ?   ?    59.295   23.010      ?      ? 
1 1 1   10   34   17 o  115.613   17.317   40.553   10.818   0.0000   0.0000   40.553   10.818  ?   ?   115.613   17.317      ?      ? 
1 1 1   10   34   18 o   51.057   21.402   4.9339   9.9420   0.0000   0.0000   4.9339   9.9420  ?   ?    51.057   21.402      ?      ? 
1 1 1   10   34   19 o   41.814   19.055  -2.0225   9.5030   0.0000   0.0000  -2.0225   9.5030  ?   ?    41.814   19.055      ?      ? 
1 1 1   10   34   20 o   50.542   21.286   6.3187   9.9096   0.0000   0.0000   6.3187   9.9096  ?   ?    50.542   21.286      ?      ? 
1 1 1   10   34   21 o   67.492   22.273   17.273   9.4320   0.0000   0.0000   17.273   9.4320  ?   ?    67.492   22.273      ?      ? 
1 1 1   10   34   22 f   80.222   18.872   21.717   8.0441   0.0000   0.0000   21.717   8.0441  ?   ?    80.222   18.872      ?      ? 
1 1 1   10   34   23 o   54.919   20.221   9.6991   7.8980   0.0000   0.0000   9.6991   7.8980  ?   ?    54.919   20.221      ?      ? 
1 1 1   10   34   24 o  121.206   13.009   43.932   8.5201   0.0000   0.0000   43.932   8.5201  ?   ?   121.206   13.009      ?      ? 
1 1 1   10   34   25 o   46.825   19.231   5.8224   7.8018   0.0000   0.0000   5.8224   7.8018  ?   ?    46.825   19.231      ?      ? 
1 1 1   10   35    0 o   57.605   21.774   9.7248   9.2789   0.0000   0.0000   9.7248   9.2789  ?   ?    57.605   21.774      ?      ? 
1 1 1   10   35    1 o   55.663   23.002   7.0712   11.249   0.0000   0.0000   7.0712   11.249  ?   ?    55.663   23.002      ?      ? 
1 1 1   10   35    2 o  137.866   16.882   57.491   12.577   0.0000   0.0000   57.491   12.577  ?   ?   137.866   16.882      ?      ? 
1 1 1   10   35    3 o   77.098   23.634   20.527   10.780   0.0000   0.0000   20.527   10.780  ?   ?    77.098   23.634      ?      ? 
1 1 1   10   35    4 o   38.751   18.428  -9.3184   10.533   0.0000   0.0000  -9.3184   10.533  ?   ?    38.751   18.428      ?      ? 
1 1 1   10   35    5 o   46.984   20.948  -0.1048   10.783   0.0000   0.0000  -0.1048   10.783  ?   ?    46.984   20.948      ?      ? 
1 1 1   10   35    6 o   82.843   23.554   23.607   11.043   0.0000   0.0000   23.607   11.043  ?   ?    82.843   23.554      ?      ? 
1 1 1   10   35    7 o  122.868   16.554   45.336   10.991   0.0000   0.0000   45.336   10.991  ?   ?   122.868   16.554      ?      ? 
1 1 1   10   35    8 o   61.343   23.621   11.178   11.049   0.0000   0.0000   11.178   11.049  ?   ?    61.343   23.621      ?      ? 
1 1 1   10   35    9 o   58.283   23.211   9.1749   10.975   0.0000   0.0000   9.1749   10.975  ?   ?    58.283   23.211      ?      ? 
1 1 1   10   35   10 o   33.231   16.376 -18.4092   10.474   0.0000   0.0000 -18.4092   10.474  ?   ?    33.231   16.376      ?      ? 
1 1 1   10   35   11 o   90.611   21.996   27.942   10.662   0.0000   0.0000   27.942   10.662  ?   ?    90.611   21.996      ?      ? 
1 1 1   10   35   12 o   61.294   23.292   12.481   10.653   0.0000   0.0000   12.481   10.653  ?   ?    61.294   23.292      ?      ? 
1 1 1   10   35   13 f   63.855   22.418   14.774   9.5753   0.0000   0.0000   14.774   9.5753  ?   ?    63.855   22.418      ?      ? 
1 1 1   10   35   14 o   52.770   19.992   9.0678   7.8331   0.0000   0.0000   9.0678   7.8331  ?   ?    52.770   19.992      ?      ? 
1 1 1   10   35   15 o   47.938   19.316   6.3567   7.6947   0.0000   0.0000   6.3567   7.6947  ?   ?    47.938   19.316      ?      ? 
1 1 1   10   35   16 o   80.337   18.730   21.759   7.9810   0.0000   0.0000   21.759   7.9810  ?   ?    80.337   18.730      ?      ? 
1 1 1   10   35   17 o   44.157   18.722   3.2954   7.7483   0.0000   0.0000   3.2954   7.7483  ?   ?    44.157   18.722      ?      ? 
1 1 1   10   35   18 o   75.988   19.181   19.576   7.8766   0.0000   0.0000   19.576   7.8766  ?   ?    75.988   19.181      ?      ? 
1 1 1   10   35   19 o   39.654   17.812  -0.1298   7.9524   0.0000   0.0000  -0.1298   7.9524  ?   ?    39.654   17.812      ?      ? 
1 1 1   10   35   20 o   68.336   20.442   17.123   8.1348   0.0000   0.0000   17.123   8.1348  ?   ?    68.336   20.442      ?      ? 
1 1 1   10   35   21 o   96.010   21.782   34.334   11.041   0.0000   0.0000   34.334   11.041  ?   ?    96.010   21.782      ?      ? 
1 1 1   10   36    0 o   52.532   20.749   8.7645   8.7045   0.0000   0.0000   8.7645   8.7045  ?   ?    52.532   20.749      ?      ? 
1 1 1   10   36    1 o   43.690   19.099   2.5813   8.5542   0.0000   0.0000   2.5813   8.5542  ?   ?    43.690   19.099      ?      ? 
1 1 1   10   36    2 o   39.241   17.684  -0.2841   7.9132   0.0000   0.0000  -0.2841   7.9132  ?   ?    39.241   17.684      ?      ? 
1 1 1   10   36    3 o   62.425   20.716   14.093   8.1555   0.0000   0.0000   14.093   8.1555  ?   ?    62.425   20.716      ?      ? 
1 1 1   10   36    4 o   37.526   17.181  -1.8467   7.8432   0.0000   0.0000  -1.8467   7.8432  ?   ?    37.526   17.181      ?      ? 
1 1 1   10   36    5 o   42.711   18.454   2.5315   7.7950   0.0000   0.0000   2.5315   7.7950  ?   ?    42.711   18.454      ?      ? 
1 1 1   10   36    6 o   44.213   18.825   3.3666   7.8916   0.0000   0.0000   3.3666   7.8916  ?   ?    44.213   18.825      ?      ? 
1 1 1   10   36    7 f   70.180   19.714   16.972   7.7845   0.0000   0.0000   16.972   7.7845  ?   ?    70.180   19.714      ?      ? 
1 1 1   10   36    8 o   47.486   19.207   5.5974   7.6397   0.0000   0.0000   5.5974   7.6397  ?   ?    47.486   19.207      ?      ? 
1 1 1   10   36    9 o   34.245   16.148  -5.6443   7.7720   0.0000   0.0000  -5.6443   7.7720  ?   ?    34.245   16.148      ?      ? 
1 1 1   10   36   10 o   80.640   19.011   21.892   8.1491   0.0000   0.0000   21.892   8.1491  ?   ?    80.640   19.011      ?      ? 
1 1 1   10   36   11 o   60.598   20.538   12.861   8.0129   0.0000   0.0000   12.861   8.0129  ?   ?    60.598   20.538      ?      ? 
1 1 1   10   36   12 o   51.957   20.313   8.5161   8.2672   0.0000   0.0000   8.5161   8.2672  ?   ?    51.957   20.313      ?      ? 
1 1 1   10   36   13 o   60.423   20.663   13.342   8.1114   0.0000   0.0000   13.342   8.1114  ?   ?    60.423   20.663      ?      ? 
1 1 1   10   36   14 o   44.821   18.783   4.7482   7.6545   0.0000   0.0000   4.7482   7.6545  ?   ?    44.821   18.783      ?      ? 
1 1 1   10   37    0 o   36.624   16.979  -2.6116   8.0061   0.0000   0.0000  -2.6116   8.0061  ?   ?    36.624   16.979      ?      ? 
1 1 1   11    0    0 o  900.765   10.857  2195.37   74.685  2195.37   74.685  2195.37   74.685  900.765   15.354  900.765   15.354 0.000000 0.000000 
1 1 1   11    0    1 o  1088.21   13.015  3204.96  108.160  3204.96  108.160  3204.96  108.160  1088.21   18.405  1088.21   18.405 0.000000 0.000000 
1 1 1   11    0    2 o  663.450   8.1496  1190.73   41.291  1190.73   41.291  1190.73   41.291  663.450   11.525  663.450   11.525 0.000000 0.000000 
1 1 1   11    0    3 o  549.492   6.8838  816.758   28.886  816.758   28.886  816.758   28.886  549.492   9.7352  549.492   9.7352 0.000000 0.000000 
1 1 1   11    0    4 o  708.132   8.6617  1356.57   46.841  1356.57   46.841  1356.57   46.841  708.132   12.250  708.132   12.250 0.000000 0.000000 
1 1 1   11    0    5 o  381.942   5.1055  394.618   14.890  394.618   14.890  394.618   14.890  381.942   7.2202  381.942   7.2202 0.000000 0.000000 
1 1 1   11    0    6 o  105.820   3.3906   30.443   2.7291   30.443   2.7291   30.443   2.7291  105.820   4.7951  105.820   4.7951 0.000000 0.000000 
1 1 1   11    0    7 o  472.748   6.0881  604.565   21.978  604.565   21.978  604.565   21.978  472.748   8.6099  472.748   8.6099 0.000000 0.000000 
1 1 1   11    0    8 o  475.132   6.0980  610.696   22.125  610.696   22.125  610.696   22.125  475.132   8.6239  475.132   8.6239 0.000000 0.000000 
1 1 1   11    0    9 o  120.566   3.6097   39.489   3.3122   39.489   3.3122   39.489   3.3122  120.566   5.1048  120.566   5.1048 0.000000 0.000000 
1 1 1   11    0   10 f  949.011   11.441  2438.62   82.921  2438.62   82.921  2438.62   82.921  949.011   16.181  949.011   16.181 0.000000 0.000000 
1 1 1   11    0   11 o  650.802   8.0484  1146.18   40.000  1146.18   40.000  1146.18   40.000  650.802   11.382  650.802   11.382 0.000000 0.000000 
1 1 1   11    0   12 o  747.171   9.1260  1511.06   52.073  1511.06   52.073  1511.06   52.073  747.171   12.906  747.171   12.906 0.000000 0.000000 
1 1 1   11    0   14 o  219.546   3.6860  130.471   6.1763  130.471   6.1763  130.471   6.1763  219.546   5.2127  219.546   5.2127 0.000000 0.000000 
1 1 1   11    0   15 o  669.882   8.2559  1214.55   42.235  1214.55   42.235  1214.55   42.235  669.882   11.676  669.882   11.676 0.000000 0.000000 
1 1 1   11    0   16 o  381.750   5.1502  394.311   15.012  394.311   15.012  394.311   15.012  381.750   7.2835  381.750   7.2835 0.000000 0.000000 
1 1 1   11    0   17 o  235.235   3.8999  149.785   7.0019  149.785   7.0019  149.785   7.0019  235.235   5.5152  235.235   5.5152 0.000000 0.000000 
1 1 1   11    0   18 o  1074.38   12.898  3129.04  105.827  3129.04  105.827  3129.04  105.827  1074.38   18.240  1074.38   18.240 0.000000 0.000000 
1 1 1   11    0   19 o  376.023   5.1405  382.592   14.759  382.592   14.759  382.592   14.759  376.023   7.2698  376.023   7.2698 0.000000 0.000000 
1 1 1   11    0   20 o  501.457   6.4365  680.443   24.647  680.443   24.647  680.443   24.647  501.457   9.1027  501.457   9.1027 0.000000 0.000000 
1 1 1   11    0   21 o  546.783   6.9208  809.047   28.898  809.047   28.898  809.047   28.898  546.783   9.7875  546.783   9.7875 0.000000 0.000000 
1 1 1   11    0   22 o  250.945   4.1592  170.458   7.9663  170.458   7.9663  170.458   7.9663  250.945   5.8821  250.945   5.8821 0.000000 0.000000 
1 1 1   11    0   23 o  1207.89   20.514  3966.22  189.107  3966.22  189.107  3966.22  189.107  1207.89   29.011  1207.89   29.011 0.000000 0.000000 
1 1 1   11    0   24 o  291.824   6.4235  230.856   14.294  230.856   14.294  230.856   14.294  291.824   9.0842  291.824   9.0842 0.000000 0.000000 
1 1 1   11    0   25 o  899.981   15.462  2197.07  106.197  2197.07  106.197  2197.07  106.197  899.981   21.866  899.981   21.866 0.000000 0.000000 
1 1 1   11    0   26 o  1232.78   14.742  4116.96  138.789  4116.96  138.789  4116.96  138.789  1232.78   20.848  1232.78   20.848 0.000000 0.000000 
1 1 1   11    0   27 o  745.961   9.1616  1505.79   52.191  1505.79   52.191  1505.79   52.191  745.961   12.957  745.961   12.957 0.000000 0.000000 
1 1 1   11    0   28 o  772.619   9.4663  1615.48   55.854  1615.48   55.854  1615.48   55.854  772.619   13.387  772.619   13.387 0.000000 0.000000 
1 1 1   11    0   29 o   88.409   6.5255   21.808   4.2987   21.808   4.2987   21.808   4.2987   88.409   9.2285   88.409   9.2285 0.000000 0.000000 
1 1 1   11    0   30 o  404.534   5.6201  442.783   17.359  442.783   17.359  442.783   17.359  404.534   7.9481  404.534   7.9481 0.000000 0.000000 
1 1 1   11    0   31 o  798.131   9.7830  1724.18   59.628  1724.18   59.628  1724.18   59.628  798.131   13.835  798.131   13.835 0.000000 0.000000 
1 1 1   11    0   32 o  585.674   7.4587  928.210   33.358  928.210   33.358  928.210   33.358  585.674   10.548  585.674   10.548 0.000000 0.000000 
1 1 1   11    0   33 o  524.151   6.8300  743.457   27.337  743.457   27.337  743.457   27.337  524.151   9.6591  524.151   9.6591 0.000000 0.000000 
1 1 1   11    0   34 o  233.254   4.8084  147.414   8.5545  147.414   8.5545  147.414   8.5545  233.254   6.8001  233.254   6.8001 0.000000 0.000000 
1 1 1   11    0   35 o  186.844   5.1662   94.787   7.3509   94.787   7.3509   94.787   7.3509  186.844   7.3061  186.844   7.3061 0.000000 0.000000 
1 1 1   11    0   36 f  445.149   6.1635  536.283   20.949  536.283   20.949  536.283   20.949  445.149   8.7165  445.149   8.7165 0.000000 0.000000 
1 1 1   11    0   37 o  584.523   7.5195  924.810   33.564  924.810   33.564  924.810   33.564  584.523   10.634  584.523   10.634 0.000000 0.000000 
1 1 1   11    0   38 o   24.485   11.534  -1.8675   5.8403  -1.8675   5.8403  -1.8675   5.8403   24.485   16.312   24.485   16.312 0.000000 0.000000 
1 1 1   11    0   41 o  531.778   10.086  767.793   40.920  767.793   40.920  767.793   40.920  531.778   14.263  531.778   14.263 0.000000 0.000000 
1 1 1   11    0   42 o  188.275   5.3462   96.318   7.6638   96.318   7.6638   96.318   7.6638  188.275   7.5606  188.275   7.5606 0.000000 0.000000 
1 1 1   11    0   43 o   54.533   14.802   10.992   5.8333   10.992   5.8333   10.992   5.8333   54.533   20.934   54.533   20.934 0.000000 0.000000 
1 1 1   11    0   44 o  324.866   5.2651  285.936   13.056  285.936   13.056  285.936   13.056  324.866   7.4460  324.866   7.4460 0.000000 0.000000 
1 1 1   11    0   45 o  154.634   5.7600   65.247   6.7635   65.247   6.7635   65.247   6.7635  154.634   8.1459  154.634   8.1459 0.000000 0.000000 
1 1 1   11    0   46 o  171.441   5.5327   80.055   7.2142   80.055   7.2142   80.055   7.2142  171.441   7.8244  171.441   7.8244 0.000000 0.000000 
1 1 1   11    0   47 o  269.884   5.0467  197.530   10.392  197.530   10.392  197.530   10.392  269.884   7.1372  269.884   7.1372 0.000000 0.000000 
1 1 1   11    0   48 f  226.746   5.0971  139.605   8.8119  139.605   8.8119  139.605   8.8119  226.746   7.2084  226.746   7.2084 0.000000 0.000000 
1 1 1   11    0   49 o  287.098   5.1814  223.677   11.351  223.677   11.351  223.677   11.351  287.098   7.3276  287.098   7.3276 0.000000 0.000000 
1 1 1   11    0   50 o  362.296   5.6008  356.248   15.490  356.248   15.490  356.248   15.490  362.296   7.9207  362.296   7.9207 0.000000 0.000000 
1 1 1   11    0   51 o   34.767   14.018   4.3636   5.8347   4.3636   5.8347   4.3636   5.8347   34.767   19.824   34.767   19.824 0.000000 0.000000 
1 1 1   11    0   52 o  134.580   6.5069   49.891   6.6202   49.891   6.6202   49.891   6.6202  134.580   9.2022  134.580   9.2022 0.000000 0.000000 
1 1 1   11    0   53 o  249.361   5.1412  169.077   9.7781  169.077   9.7781  169.077   9.7781  249.361   7.2707  249.361   7.2707 0.000000 0.000000 
1 1 1   11    0   54 o   79.203   11.517   19.247   6.1579   19.247   6.1579   19.247   6.1579   79.203   16.287   79.203   16.287 0.000000 0.000000 
1 1 1   11    0   55 o  193.233   5.5138  101.950   8.1119  101.950   8.1119  101.950   8.1119  193.233   7.7976  193.233   7.7976 0.000000 0.000000 
1 1 1   11    0   56 o  167.291   5.8914   76.740   7.4891   76.740   7.4891   76.740   7.4891  167.291   8.3317  167.291   8.3317 0.000000 0.000000 
1 1 1   11    0   57 o  135.825   6.6064   51.037   6.7827   51.037   6.7827   51.037   6.7827  135.825   9.3429  135.825   9.3429 0.000000 0.000000 
1 1 1   11    0   58 f   41.980   15.046   7.4181   6.0195   7.4181   6.0195   7.4181   6.0195   41.980   21.279   41.980   21.279 0.000000 0.000000 
1 1 1   11    0   59 o  484.632   6.7502  643.687   24.977  643.687   24.977  643.687   24.977  484.632   9.5462  484.632   9.5462 0.000000 0.000000 
1 1 1   11    0   60 o  153.876   6.6430   65.511   7.7449   65.511   7.7449   65.511   7.7449  153.876   9.3947  153.876   9.3947 0.000000 0.000000 
1 1 1   11    0   61 f   56.949   16.226   12.924   6.8844   12.924   6.8844   12.924   6.8844   56.949   22.947   56.949   22.947 0.000000 0.000000 
1 1 1   11    0   62 o  201.399   6.0887  111.713   9.3320  111.713   9.3320  111.713   9.3320  201.399   8.6107  201.399   8.6107 0.000000 0.000000 
1 1 1   11    0   63 o   30.905   14.022   1.3277   7.5196   1.3277   7.5196   1.3277   7.5196   30.905   19.830   30.905   19.830 0.000000 0.000000 
1 1 1   11    0   65 o   31.632   14.257   2.3152   7.6172   2.3152   7.6172   2.3152   7.6172   31.632   20.163   31.632   20.163 0.000000 0.000000 
1 1 1   11    0   66 o   41.494   16.629   7.8300   8.1462   7.8300   8.1462   7.8300   8.1462   41.494   23.518   41.494   23.518 0.000000 0.000000 
1 1 1   11    0   67 o   24.042   12.216 -14.4662   10.839 -14.4662   10.839 -14.4662   10.839   24.042   17.276   24.042   17.276 0.000000 0.000000 
1 1 1   11    1    0 o  768.627   9.3352  1597.24   38.766  1614.76   55.448  1580.49   54.220  772.745   13.279  764.510   13.125 8.235474 18.67045 
1 1 1   11    1    1 o  726.951   8.8615  1428.82   34.808  1419.48   48.907  1438.40   49.550  724.547   12.492  729.355   12.572 -4.808289 17.72300 
1 1 1   11    1    2 o  432.812   5.6305  506.103   13.165  513.477   18.895  499.147   18.352  435.874   8.0223  429.750   7.9027 6.123352 11.26095 
1 1 1   11    1    3 o  922.513   11.100  2302.07   55.330  2316.44   78.794  2288.10   77.713  925.347   15.758  919.680   15.638 5.667847 22.20018 
1 1 1   11    1    4 o  498.400   6.3278  671.420   17.042  670.883   24.118  671.955   24.084  498.201   8.9588  498.599   8.9390 -0.3982849 12.65568 
1 1 1   11    1    5 o  681.429   8.3505  1255.03   30.739  1273.83   44.116  1237.30   42.856  686.383   11.894  676.476   11.724 9.907104 16.70097 
1 1 1   11    1    6 o  454.109   5.8550  557.250   14.365  563.680   20.535  551.088   20.102  456.673   8.3216  451.545   8.2387 5.128082 11.71006 
1 1 1   11    1    7 o  1192.96   14.251  3854.39   91.863  3837.86  129.454  3871.16  130.378  1190.39   20.125  1195.54   20.182 -5.144043 28.50116 
1 1 1   11    1    8 o  348.402   4.8005  327.952   9.0359  322.572   12.622  333.606   12.941  345.473   6.7615  351.331   6.8164 -5.858551 9.601099 
1 1 1   11    1    9 o  783.596   9.5297  1660.64   40.333  1692.24   58.125  1631.29   56.012  790.770   13.603  776.423   13.350 14.34747 19.05943 
1 1 1   11    1   10 o  704.485   8.6456  1342.78   32.909  1331.32   46.154  1354.63   46.936  701.431   12.177  707.538   12.276 -6.106750 17.29121 
1 1 1   11    1   11 o  105.534   3.6544   29.830   2.0264   28.986   2.5637   31.235   3.3082  103.566   4.5810  107.501   5.6949 -3.935699 7.308748 
1 1 1   11    1   12 o  690.032   8.5164  1288.41   31.751  1281.78   44.496  1295.28   45.321  688.232   11.964  691.833   12.123 -3.601685 17.03286 
1 1 1   11    1   13 o  496.750   6.3731  666.763   17.092  654.635   23.601  680.141   24.787  492.010   8.8769  501.490   9.1470 -9.479584 12.74628 
1 1 1   11    1   15 o  175.374   4.9299   83.123   4.6719   0.0000   0.0000   83.123   4.6719  ?   ?   175.374   4.9299      ?      ? 
1 1 1   11    1   16 o  407.713   5.4032  449.415   11.903  445.508   16.706  453.443   16.964  405.914   7.6164  409.511   7.6661 -3.596924 10.80639 
1 1 1   11    1   17 o  443.383   5.7830  531.483   13.852  524.186   19.345  539.160   19.844  440.264   8.1316  446.503   8.2248 -6.239319 11.56592 
1 1 1   11    1   18 o  330.117   4.6763  294.589   8.3409  291.869   11.698  297.401   11.896  328.568   6.5889  331.666   6.6374 -3.097717 9.352519 
1 1 1   11    1   19 o  409.365   5.4678  452.950   12.092  444.828   16.861  461.550   17.350  405.590   7.6934  413.140   7.7718 -7.549774 10.93570 
1 1 1   11    1   20 o  397.142   5.3475  426.298   11.473  419.992   15.998  432.976   16.462  394.121   7.5116  400.163   7.6130 -6.041626 10.69501 
1 1 1   11    1   21 o  203.151   3.8574  111.372   4.2304  118.473   6.1094  104.832   5.8635  209.363   5.4002  196.939   5.5098 12.42317 7.714889 
1 1 1   11    1   22 o  421.085   6.9206  472.118   14.555  460.492   17.410  499.099   26.524  412.695   7.8071  429.475   11.429 -16.77911 13.84111 
1 1 1   11    1   23 f  625.998   9.5090  1064.84   30.548  1047.75   51.902  1073.90   37.787  621.951   15.443  630.045   11.099 -8.093872 19.01791 
1 1 1   11    1   24 o  728.376   12.658  1435.72   49.819   0.0000   0.0000  1435.72   49.819  ?   ?   728.376   12.658      ?      ? 
1 1 1   11    1   25 o  386.802   6.4959  407.152   12.890  413.011   15.963  396.171   21.855  390.875   7.5575  382.729   10.567 8.146759 12.99174 
1 1 1   11    1   26 o  1120.51   16.536  3391.48   93.700  3362.50  113.734  3452.70  165.310  1113.96   18.894  1127.06   27.143 -13.09827 33.07211 
1 1 1   11    1   27 o  198.733   4.1408  106.759   4.4454  109.787   6.2866  103.730   6.2869  201.553   5.7722  195.913   5.9386 5.640060 8.281623 
1 1 1   11    1   28 o  756.762   9.2891  1549.45   37.984  1540.58   53.398  1558.54   54.042  754.574   13.096  758.951   13.177 -4.377014 18.57820 
1 1 1   11    1   29 o  488.600   6.3929  645.370   16.877  652.137   24.080  638.836   23.661  491.116   9.0736  486.084   9.0082 5.031769 12.78584 
1 1 1   11    1   30 o  1193.93   14.312  3863.93   92.309  3920.31  132.535  3810.81  128.640  1202.35   20.399  1185.51   20.081 16.84375 28.62456 
1 1 1   11    1   31 o  631.041   7.9272  1077.00   27.028  1087.74   38.576  1066.64   37.881  634.128   11.258  627.953   11.164 6.174988 15.85449 
1 1 1   11    1   32 o  755.095   9.3035  1542.45   37.944  1571.49   54.651  1515.43   52.722  761.940   13.274  748.249   13.039 13.69092 18.60695 
1 1 1   11    1   33 o  548.489   7.0807  812.883   20.970  836.235   30.397  791.677   28.966  555.990   10.117  540.988   9.9087 15.00177 14.16141 
1 1 1   11    1   34 o  704.293   8.7584  1342.41   33.328  1355.39   47.590  1329.92   46.690  707.626   12.446  700.959   12.326 6.666687 17.51681 
1 1 1   11    1   35 o  502.178   6.6560  681.830   18.056  693.894   25.931  670.476   25.157  506.484   9.4748  497.872   9.3508 8.612488 13.31203 
1 1 1   11    1   36 o  1025.12   12.408  2850.70   68.722  2881.01   98.266  2821.67   96.144  1030.43   17.648  1019.81   17.447 10.61816 24.81630 
1 1 1   11    1   37 o  457.892   6.2764  567.111   15.529  569.955   22.093  564.334   21.831  459.024   8.9072  456.759   8.8450 2.265594 12.55277 
1 1 1   11    1   38 o  300.036   7.2609  243.835   11.749  246.171   16.161  241.216   17.111  301.581   9.9169  298.492   10.608 3.088837 14.52171 
1 1 1   11    1   39 o  245.458   7.2754  164.185   9.5800  183.423   13.386  143.986   13.716  260.330   9.5157  230.585   11.008 29.74481 14.55082 
1 1 1   11    1   40 o  406.968   12.085  449.099   26.576  449.099   26.576   0.0000   0.0000  406.968   12.085  ?   ?       ?      ? 
1 1 1   11    1   41 o  703.101   12.519  1345.79   47.520  1375.22   68.944  1319.14   65.588  710.332   17.962  695.870   17.442 14.46179 25.03707 
1 1 1   11    1   42 f  400.552   7.2192  436.378   14.692  430.405   25.485  439.351   17.981  398.271   11.842  402.832   8.2606 -4.560089 14.43837 
1 1 1   11    1   43 o  402.327   5.8014  437.919   12.603  452.015   18.255  425.079   17.422  408.498   8.2698  396.156   8.1386 12.34229 11.60282 
1 1 1   11    1   44 o  305.949   5.1495  253.485   8.5133  252.026   12.017  254.955   12.062  305.064   7.2900  306.834   7.2749 -1.769135 10.29894 
1 1 1   11    1   45 o  323.317   5.2816  283.224   9.2275  282.650   13.024  283.802   13.075  322.989   7.4625  323.645   7.4762 -0.6557007 10.56326 
1 1 1   11    1   46 o  220.745   5.1200  131.825   6.0980  142.510   8.8229  122.053   8.4378  229.304   7.1205  212.187   7.3591 17.11717 10.24002 
1 1 1   11    1   47 o  370.981   5.6093  373.237   11.243  367.054   15.714  379.721   16.091  367.839   7.9058  374.122   7.9596 -6.282959 11.21857 
1 1 1   11    1   48 o  112.810   7.1205   34.700   4.3322   37.072   6.1152   32.310   6.1381  116.718   9.6958  108.902   10.431 7.815529 14.24101 
1 1 1   11    1   49 o  259.857   5.1297  182.960   7.1959  192.487   10.453  174.378   9.9212  266.273   7.2647  253.442   7.2443 12.83101 10.25944 
1 1 1   11    1   50 o  269.622   5.1452  196.898   7.4856  208.607   10.942  186.599   10.263  277.129   7.3070  262.115   7.2457 15.01413 10.29045 
1 1 1   11    1   51 o   53.270   11.099   7.0380   4.0161   13.799   5.6174  -0.0309   5.7441   69.238   15.411   37.302   15.976 31.93519 22.19730 
1 1 1   11    1   52 o  189.856   5.3887   98.166   5.5266  101.248   7.8276   95.102   7.8039  192.849   7.5114  186.863   7.7286 5.986786 10.77744 
1 1 1   11    1   53 o  136.509   9.1304   50.964   6.7350   0.0000   0.0000   50.964   6.7350  ?   ?   136.509   9.1304      ?      ? 
1 1 1   11    1   54 o  216.469   5.2754  127.791   6.1699  124.846   8.6644  130.820   8.7880  213.930   7.4952  219.008   7.4258 -5.077560 10.55079 
1 1 1   11    1   55 o  132.841   6.7567   48.474   4.8431   49.020   7.0581   47.988   6.6578  133.493   9.7845  132.189   9.3207 1.303329 13.51340 
1 1 1   11    1   56 o  294.601   5.3380  237.367   8.4967  239.637   12.132  235.181   11.903  295.966   7.5859  293.236   7.5122 2.729584 10.67607 
1 1 1   11    1   57 o   37.382   11.374  -0.5659   4.2547  -3.3635   5.8728   2.5245   6.1724   32.596   14.903   42.167   17.187 -9.570511 22.74831 
1 1 1   11    1   58 o  102.763   8.5153   29.698   4.7130   31.187   6.5279   28.078   6.8117  105.645   11.435   99.881   12.621 5.764015 17.03052 
1 1 1   11    1   59 o   39.404   11.923   0.5131   4.5375  -0.9854   6.2395   2.1951   6.6106   36.529   16.128   42.278   17.565 -5.749184 23.84634 
1 1 1   11    1   60 o  272.521   5.5219  204.424   8.1253  208.227   11.340  200.411   11.648  275.241   7.6242  269.801   7.9897 5.440125 11.04378 
1 1 1   11    1   61 o  214.104   5.8100  126.668   6.7116  136.448   9.6198  117.392   9.3684  222.274   8.0092  205.935   8.4188 16.33905 11.61995 
1 1 1   11    1   62 o  157.459   6.9341   69.555   5.8878   73.860   8.2779   65.147   8.3761  162.612   9.4206  152.305   10.177 10.30757 13.86827 
1 1 1   11    1   63 o  131.167   8.1875   49.310   5.7851   45.179   8.1957   53.412   8.1671  125.345   12.100  136.988   11.033 -11.64304 16.37502 
1 1 1   11    1   64 o  120.265   9.4128   41.906   6.1147   40.389   8.5881   43.465   8.7083  117.959   13.473  122.570   13.148 -4.610886 18.82553 
1 1 1   11    1   65 o  102.555   10.987   33.045   5.8990   38.308   8.5207   28.201   8.1750  112.016   14.077   93.095   16.872 18.92136 21.97326 
1 1 1   11    1   66 o  133.354   8.7024   52.270   6.2689   50.801   8.8560   53.745   8.8753  131.324   12.480  135.384   12.132 -4.060089 17.40481 
1 1 1   11    1   67 o   51.501   15.509   6.8338   7.6812   2.0356   10.381   12.640   11.419   45.053   20.283   57.950   23.467 -12.89670 31.01752 
1 1 1   11    2    0 o  805.734   9.7677  1755.58   42.524  1768.30   60.607  1743.24   59.680  808.606   13.871  802.862   13.756 5.743958 19.53542 
1 1 1   11    2    1 o  621.675   7.6916  1044.80   25.838  1039.60   36.389  1050.08   36.694  620.117   10.860  623.234   10.896 -3.117371 15.38329 
1 1 1   11    2    2 f  1014.12   17.187  2782.89   94.184   0.0000   0.0000  2782.89   94.184  ?   ?   1014.12   17.187      ?      ? 
1 1 1   11    2    3 o  1035.39   12.409  2901.03   69.427  2896.39   98.003  2905.70   98.368  1034.56   17.530  1036.22   17.568 -1.657349 24.81823 
1 1 1   11    2    4 o  767.745   9.3345  1593.52   38.717  1572.91   54.069  1615.21   55.465  762.656   13.120  772.835   13.281 -10.17871 18.66891 
1 1 1   11    2    5 o  1214.22   14.487  3992.36   95.050  3982.57  134.088  4002.24  134.757  1212.73   20.461  1215.71   20.513 -2.984253 28.97343 
1 1 1   11    2    6 o  120.899   3.3559   39.433   2.1900   40.830   3.1886   38.185   3.0132  122.922   4.8004  118.875   4.6908 4.046974 6.711771 
1 1 1   11    2    7 o  751.516   9.1591  1527.26   37.188  1544.51   53.217  1510.80   51.987  755.657   13.033  747.375   12.873 8.282288 18.31829 
1 1 1   11    2    8 o  654.709   8.0748  1159.21   28.565  1168.26   40.722  1150.44   40.079  657.221   11.467  652.197   11.372 5.023926 16.14960 
1 1 1   11    2    9 o  504.734   13.011  689.414   35.486   0.0000   0.0000  689.414   35.486  ?   ?   504.734   13.011      ?      ? 
1 1 1   11    2   10 f  507.568   7.9740  700.692   20.713  708.714   25.564  685.360   35.343  511.931   9.2411  503.205   12.998 8.726196 15.94804 
1 1 1   11    2   11 o  724.781   8.8973  1421.02   34.833  1446.37   50.093  1397.28   48.470  731.028   12.681  718.534   12.484 12.49402 17.79457 
1 1 1   11    2   12 o  555.620   7.0017  835.013   21.022  839.636   29.735  830.394   29.723  557.159   9.8765  554.082   9.9272 3.077698 14.00340 
1 1 1   11    2   13 o  340.428   4.7887  312.464   8.7711  304.904   11.805  321.781   13.105  335.850   6.5049  345.006   7.0294 -9.155365 9.577370 
1 1 1   11    2   14 o  420.559   6.8191  477.715   14.515  476.425   17.654  480.405   25.499  419.767   7.7832  421.351   11.199 -1.584076 13.63826 
1 1 1   11    2   15 o  611.088   7.5873  1010.37   25.053  1005.84   35.260  1014.98   35.604  609.709   10.702  612.466   10.758 -2.757690 15.17462 
1 1 1   11    2   16 o  337.876   4.7145  308.552   8.6063  304.618   12.045  312.656   12.301  335.677   6.6404  340.075   6.6941 -4.398224 9.428965 
1 1 1   11    2   17 f  629.214   7.8012  1071.55   26.525  1071.58   37.503  1071.51   37.520  629.226   11.030  629.202   11.035 0.2362061E-01 15.60243 
1 1 1   11    2   18 o  685.692   8.4379  1272.98   31.264  1270.32   44.115  1275.67   44.314  684.974   11.919  686.410   11.947 -1.435608 16.87575 
1 1 1   11    2   19 o  694.196   8.5391  1304.10   32.021  1284.69   44.596  1324.75   46.007  688.878   11.980  699.514   12.171 -10.63586 17.07819 
1 1 1   11    2   20 o  560.147   7.0580  848.849   21.363  849.175   30.196  848.523   30.229  560.255   9.9742  560.039   9.9887 0.2161255 14.11596 
1 1 1   11    2   21 f  242.297   5.0762  160.909   6.1994  164.996   7.5671  152.568   10.811  247.070   5.6679  237.524   8.4230 9.546097 10.15244 
1 1 1   11    2   22 o  107.081   6.4311   30.995   3.7212   0.0000   0.0000   30.995   3.7212  ?   ?   107.081   6.4311      ?      ? 
1 1 1   11    2   23 o  491.725   7.8240  657.922   19.696  642.117   33.565  666.222   24.324  487.092   12.752  496.358   9.0688 -9.265564 15.64799 
1 1 1   11    2   24 o  855.552   12.652  1996.83   55.798  1940.31   93.579  2028.00   69.506  845.679   20.478  865.426   14.863 -19.74683 25.30315 
1 1 1   11    2   25 o  249.163   4.2520  166.611   5.7047  184.819   8.4839  151.584   7.7073  261.502   6.0039  236.825   6.0226 24.67682 8.504049 
1 1 1   11    2   26 o  596.417   9.1316  969.077   28.052  985.117   34.914  939.865   47.117  603.553   10.705  589.281   14.797 14.27173 18.26318 
1 1 1   11    2   27 o  1302.40   15.563  4600.21  109.530  4587.31  154.411  4613.27  155.390  1300.57   21.971  1304.22   22.049 -3.658081 31.12694 
1 1 1   11    2   28 o  347.877   5.0707  326.870   9.5283  336.500   13.706  317.861   13.256  352.832   7.1886  342.922   7.1536 9.910522 10.14148 
1 1 1   11    2   29 o  1527.38   18.223  6333.87  150.287  6483.06  217.728  6198.11  207.701  1544.44   26.089  1510.33   25.449 34.10669 36.44597 
1 1 1   11    2   30 o  354.347   5.1812  339.414   9.9206  342.186   14.031  336.642   14.029  355.795   7.2980  352.899   7.3565 2.895355 10.36238 
1 1 1   11    2   31 o  974.860   11.787  2572.89   62.060  2622.07   89.494  2527.33   86.136  983.802   16.834  965.918   16.503 17.88470 23.57409 
1 1 1   11    2   32 o  324.209   5.0422  283.833   8.8284  294.382   12.745  274.102   12.241  329.994   7.1474  318.425   7.1140 11.56845 10.08434 
1 1 1   11    2   33 o  595.439   7.5718  959.031   24.358  971.305   34.844  947.298   34.065  599.161   10.762  591.718   10.654 7.442566 15.14358 
1 1 1   11    2   34 o  515.266   6.7675  717.845   18.838  729.607   27.013  706.709   26.284  519.370   9.6250  511.161   9.5159 8.208801 13.53491 
1 1 1   11    2   35 o  783.117   9.6492  1660.53   40.823  1682.93   58.497  1639.26   56.997  788.252   13.733  777.983   13.558 10.26837 19.29834 
1 1 1   11    2   36 o  375.794   6.7286  379.520   12.953  389.865   22.328  374.272   15.903  379.556   10.887  372.031   7.9107 7.525421 13.45722 
1 1 1   11    2   37 o  369.965   7.7289  370.551   15.446  372.973   21.604  368.018   22.092  371.212   10.770  368.718   11.088 2.493713 15.45786 
1 1 1   11    2   38 o  874.936   15.165  2085.58   71.699  2085.58  101.145  2085.58  101.651  874.955   21.393  874.918   21.501 0.3649902E-01 30.33070 
1 1 1   11    2   39 o  492.335   8.0992  660.720   20.459  670.052   25.340  643.243   34.676  497.564   9.4248  487.106   13.174 10.45795 16.19831 
1 1 1   11    2   40 o  601.132   7.7190  979.206   25.072  974.166   35.220  984.385   35.700  599.571   10.871  602.693   10.962 -3.121521 15.43808 
1 1 1   11    2   41 o  426.153   8.6003  491.659   19.768  508.559   29.020  477.027   27.003  432.937   12.405  419.369   11.916 13.56799 17.20059 
1 1 1   11    2   42 o  205.604   7.6065  113.818   8.4066  122.297   12.701  107.207   11.215  212.349   11.069  198.859   10.436 13.48975 15.21307 
1 1 1   11    2   43 o   48.911   13.386   4.3734   4.9612   0.0075   9.0436   6.2529   5.9338   47.206   20.127   50.617   17.655 -3.410839 26.77262 
1 1 1   11    2   44 f  411.689   5.8770  459.317   13.074  461.370   18.539  457.285   18.440  412.604   8.3150  410.775   8.3076 1.829498 11.75395 
1 1 1   11    2   45 o   66.969   11.367   12.911   4.1664   17.163   5.8207   8.4436   5.9665   78.099   14.320   55.838   17.658 22.26082 22.73443 
1 1 1   11    2   46 o  343.576   5.4341  320.077   10.088  324.247   14.365  316.019   14.170  345.783   7.6881  341.369   7.6818 4.414307 10.86815 
1 1 1   11    2   47 o  296.372   5.1574  238.145   8.2595  238.825   11.693  237.467   11.669  296.795   7.2907  295.949   7.2966 0.8458862 10.31477 
1 1 1   11    2   48 o   57.413   12.195   9.2094   4.0905   8.7311   5.7625   9.6951   5.8074   56.151   17.291   58.675   17.202 -2.524338 24.39061 
1 1 1   11    2   49 o  267.763   5.1278  194.637   7.4186  190.708   10.443  198.640   10.541  265.028   7.2920  270.497   7.2114 -5.469543 10.25557 
1 1 1   11    2   50 o  462.731   6.4001  583.282   16.003  584.268   22.682  582.305   22.581  463.115   9.0637  462.347   9.0385 0.7680359 12.80014 
1 1 1   11    2   51 o  184.356   5.3803   92.447   5.3597   92.721   7.5615   92.171   7.5983  184.635   7.5789  184.077   7.6389 0.5580292 10.76067 
1 1 1   11    2   52 o  141.384   6.2706   54.584   4.7906   54.024   6.7588   55.150   6.7910  140.651   8.8929  142.117   8.8431 -1.466125 12.54124 
1 1 1   11    2   53 o  220.439   5.2061  132.338   6.2008  134.956   8.8078  129.766   8.7313  222.610   7.3221  218.269   7.4029 4.341476 10.41225 
1 1 1   11    2   54 o  223.117   5.2500  135.795   6.3296  135.977   8.9782  135.615   8.9249  223.261   7.4419  222.974   7.4074 0.2875519 10.50008 
1 1 1   11    2   55 o  103.880   8.0566   30.130   4.4685   35.060   6.2850   25.090   6.3543  112.774   10.313   94.986   12.380 17.78800 16.11314 
1 1 1   11    2   56 o  219.265   5.3394  131.481   6.3249  133.494   9.0598  129.567   8.8340  220.887   7.5903  217.643   7.5115 3.244919 10.67874 
1 1 1   11    2   57 o   77.649   10.918   17.565   4.4805   12.884   6.2146   22.632   6.4656   65.614   17.286   89.683   13.342 -24.06878 21.83617 
1 1 1   11    2   58 o  103.155   8.6159   30.077   4.7450   24.911   6.7074   35.251   6.7136   93.881   13.222  112.428   11.051 -18.54664 17.23177 
1 1 1   11    2   59 o   94.525   9.2407   25.383   4.7129   26.300   6.5780   24.416   6.7556   96.433   12.624   92.617   13.498 3.815758 18.48137 
1 1 1   11    2   60 f  265.833   5.5135  194.316   7.9173  191.253   11.024  197.580   11.378  263.707   7.7362  267.959   7.8579 -4.251984 11.02701 
1 1 1   11    2   61 o   44.989   12.724   3.7143   4.7656   6.0527   6.7542   1.3961   6.7250   49.051   18.569   40.927   17.400 8.124290 25.44737 
1 1 1   11    2   62 o  170.858   6.5751   81.524   6.0683   78.540   8.5183   84.599   8.6469  167.620   9.4046  174.096   9.1915 -6.475906 13.15029 
1 1 1   11    2   63 o  125.755   8.4758   45.333   5.7353   40.096   7.9632   50.977   8.2673  117.894   12.500  133.615   11.450 -15.72103 16.95164 
1 1 1   11    2   64 o   41.791   12.766  -0.5307   5.6030   5.2802   7.8535  -6.5544   7.9961   48.747   19.559   34.835   16.412 13.91146 25.53246 
1 1 1   11    2   65 o  106.098   11.046   36.082   5.9599   27.244   8.5160   44.566   8.3438   90.145   18.111  122.052   12.651 -31.90644 22.09219 
1 1 1   11    2   66 o  153.683   11.104   73.290   9.1652   79.662   12.785   66.554   13.146  161.880   14.616  145.485   16.722 16.39505 22.20870 
1 1 1   11    3    0 o  788.349   9.5856  1680.39   40.828  1661.58   57.107  1700.06   58.393  783.841   13.483  792.857   13.629 -9.016235 19.17124 
1 1 1   11    3    1 o  642.442   11.218  1115.86   38.945   0.0000   0.0000  1115.86   38.945  ?   ?   642.442   11.218      ?      ? 
1 1 1   11    3    2 o  1014.84   17.213  2786.92   94.392   0.0000   0.0000  2786.92   94.392  ?   ?   1014.84   17.213      ?      ? 
1 1 1   11    3    4 o  1060.44   12.707  3043.38   72.806  3020.23  102.180  3067.25  103.765  1056.35   17.901  1064.53   18.039 -8.176636 25.41325 
1 1 1   11    3    5 o  681.140   11.836  1254.56   43.565   0.0000   0.0000  1254.56   43.565  ?   ?   681.140   11.836      ?      ? 
1 1 1   11    3    7 o  1143.70   13.692  3544.08   84.605  3511.09  118.489  3578.39  120.846  1138.29   19.264  1149.11   19.462 -10.82336 27.38336 
1 1 1   11    3    8 o  363.607   6.2479  354.885   11.401  350.591   13.731  364.414   20.457  360.140   7.0559  367.074   10.313 -6.934601 12.49587 
1 1 1   11    3    9 o  849.031   20.710  1956.31   95.014   0.0000   0.0000  1956.31   95.014  ?   ?   849.031   20.710      ?      ? 
1 1 1   11    3   10 o  352.466   10.278  336.036   19.575  336.036   19.575   0.0000   0.0000  352.466   10.278  ?   ?       ?      ? 
1 1 1   11    3   11 o  480.723   8.9225  624.928   23.178   0.0000   0.0000  624.928   23.178  ?   ?   480.723   8.9225      ?      ? 
1 1 1   11    3   12 o  327.203   6.8255  289.418   12.068   0.0000   0.0000  289.418   12.068  ?   ?   327.203   6.8255      ?      ? 
1 1 1   11    3   13 o  836.859   14.420  1896.87   65.209   0.0000   0.0000  1896.87   65.209  ?   ?   836.859   14.420      ?      ? 
1 1 1   11    3   14 o  558.631   10.004  844.404   30.177  824.324   41.719  866.441   43.705  551.687   13.994  565.575   14.300 -13.88776 20.00868 
1 1 1   11    3   15 o  417.297   6.8347  467.795   14.346  462.244   17.314  479.955   25.625  413.464   7.7493  421.129   11.260 -7.664551 13.66932 
1 1 1   11    3   16 o  643.620   9.7630  1129.06   32.260  1144.75   39.980  1099.78   54.616  650.339   11.377  636.901   15.869 13.43860 19.52598 
1 1 1   11    3   17 o  727.352   8.9189  1432.71   35.054  1428.99   49.466  1436.46   49.683  726.406   12.602  728.299   12.624 -1.892822 17.83784 
1 1 1   11    3   18 o  860.771   10.436  2007.95   48.535  1994.00   68.118  2022.33   69.172  857.745   14.697  863.796   14.820 -6.051086 20.87126 
1 1 1   11    3   19 o  158.696   3.5837   68.099   3.0704   71.621   4.3508   64.604   4.3335  162.787   4.9461  154.605   5.1872 8.182083 7.167325 
1 1 1   11    3   20 o  461.153   7.4265  576.152   17.409  577.616   21.290  573.198   30.242  462.152   8.5253  460.155   12.163 1.996979 14.85291 
1 1 1   11    3   21 o  527.286   8.2744  754.156   22.220  757.604   27.238  747.297   38.417  529.240   9.5244  525.332   13.533 3.907715 16.54883 
1 1 1   11    3   22 o  637.826   9.7605  1102.06   31.676  1099.55   54.960  1103.31   38.761  637.059   15.965  638.593   11.233 -1.533813 19.52103 
1 1 1   11    3   23 o  328.868   5.9644  295.864   10.015  281.757   17.049  303.296   12.375  322.771   9.7752  334.966   6.8370 -12.19440 11.92887 
1 1 1   11    3   24 o  247.273   4.1943  164.653   5.5940  177.774   8.1936  153.197   7.6559  256.467   5.9122  238.080   5.9510 18.38733 8.388593 
1 1 1   11    3   25 o  1080.31   15.998  3129.31   86.585  3268.02  156.406  3068.01  103.970  1096.51   26.397  1064.11   18.081 32.39490 31.99590 
1 1 1   11    3   26 o  404.471   5.5269  441.957   12.076  452.170   17.360  432.384   16.808  408.994   7.8551  399.948   7.7772 9.046539 11.05386 
1 1 1   11    3   27 o  834.722   12.442  1884.07   52.823  1877.99   64.544  1896.40   91.921  833.032   14.339  836.411   20.338 -3.378784 24.88436 
1 1 1   11    3   28 o  729.786   8.9978  1440.42   35.473  1463.55   50.901  1418.58   49.462  735.474   12.808  724.099   12.641 11.37445 17.99552 
1 1 1   11    3   29 o  319.118   4.8751  274.727   8.3984  288.300   12.205  262.520   11.575  326.589   6.9158  311.646   6.8731 14.94296 9.750291 
1 1 1   11    3   30 o  273.632   4.6422  202.366   6.8634  201.644   9.6378  203.109   9.7763  273.137   6.5300  274.126   6.5999 -0.9891663 9.284342 
1 1 1   11    3   31 o  1000.65   12.092  2709.52   65.315  2787.47   95.057  2639.81   89.898  1014.23   17.344  987.080   16.854 27.14734 24.18469 
1 1 1   11    3   32 o  326.089   5.0685  287.299   8.9282  297.444   12.789  277.654   12.470  331.702   7.1349  320.476   7.2009 11.22644 10.13703 
1 1 1   11    3   33 o  833.507   10.198  1881.81   45.933  1881.88   64.941  1881.74   64.978  833.523   14.418  833.492   14.427 0.3100586E-01 20.39666 
1 1 1   11    3   34 o  528.867   6.9237  754.963   19.757  784.911   28.919  728.750   27.056  538.672   9.9349  519.061   9.6461 19.61127 13.84738 
1 1 1   11    3   35 o  238.167   6.5852  153.540   8.4641  162.995   11.996  144.167   11.944  245.482   9.0436  230.853   9.5747 14.62909 13.17049 
1 1 1   11    3   36 o  116.904   9.4928   36.130   5.7175   22.950   7.5001   54.414   8.8341   92.022   15.083  141.786   11.530 -49.76401 18.98554 
1 1 1   11    3   37 o  409.788   8.1050  452.086   17.891  488.513   26.619  422.072   24.162  424.748   11.598  394.828   11.325 29.91946 16.20991 
1 1 1   11    3   38 o  408.626   5.8603  451.100   12.929  465.789   18.765  437.825   17.839  414.945   8.3689  402.306   8.2058 12.63895 11.72062 
1 1 1   11    3   39 f  279.826   5.0961  209.025   7.6551  241.814   11.602  183.749   10.187  299.007   7.1809  260.645   7.2329 38.36212 10.19211 
1 1 1   11    3   40 o  442.712   6.1632  530.493   14.742  536.312   21.046  524.887   20.657  445.091   8.7505  440.332   8.6814 4.759430 12.32633 
1 1 1   11    3   41 o  592.779   9.3384  961.726   28.504  980.223   35.498  928.153   47.823  601.323   10.925  584.236   15.148 17.08759 18.67675 
1 1 1   11    3   42 o  224.062   7.4963  136.202   9.0647  127.703   12.767  144.842   12.872  216.988   10.888  231.137   10.306 -14.14940 14.99260 
1 1 1   11    3   43 o  224.647   7.5112  136.983   9.1165  134.797   12.929  139.144   12.856  222.854   10.737  226.441   10.507 -3.586548 15.02236 
1 1 1   11    3   44 o  451.759   6.2358  553.290   15.221  557.769   21.696  548.949   21.360  453.553   8.8525  449.965   8.7850 3.588135 12.47169 
1 1 1   11    3   45 o  204.161   5.1958  112.561   5.7220  121.627   8.3620  104.578   7.8469  211.869   7.3039  196.453   7.3918 15.41629 10.39162 
1 1 1   11    3   46 o  252.159   5.0660  172.349   6.9018  171.945   9.6731  172.767   9.8506  251.864   7.1074  252.453   7.2209 -0.5883179 10.13201 
1 1 1   11    3   47 o  341.273   5.4146  315.758   9.9815  321.283   14.353  310.584   13.890  344.152   7.7181  338.395   7.5961 5.757660 10.82912 
1 1 1   11    3   48 o   98.786   8.2086   26.761   4.3627   29.051   6.0959   24.358   6.2464  103.195   10.932   94.377   12.248 8.817757 16.41712 
1 1 1   11    3   49 o  412.078   5.9655  461.843   13.283  464.377   18.861  459.350   18.711  413.196   8.4475  410.960   8.4255 2.235443 11.93106 
1 1 1   11    3   50 o  108.438   7.6221   32.620   4.3644   24.756   6.1735   40.478   6.1709   95.022   12.023  121.854   9.3717 -26.83185 15.24417 
1 1 1   11    3   51 o   94.272   8.5305   24.450   4.2689   30.773   6.2160   18.806   5.8729  105.973   10.855   82.571   13.162 23.40202 17.06101 
1 1 1   11    3   52 o  143.814   6.1950   56.422   4.7959   63.343   6.9098   49.989   6.6619  152.379   8.3918  135.249   9.1154 17.12930 12.39005 
1 1 1   11    3   53 o   64.297   11.406   11.962   4.1477   17.350   5.9347   6.8179   5.7990   77.711   14.671   50.883   17.469 26.82781 22.81252 
1 1 1   11    3   54 o  280.052   5.2060  213.688   7.8729  221.435   11.393  206.607   10.892  284.889   7.4006  275.214   7.3240 9.675812 10.41204 
1 1 1   11    3   55 o   87.195   9.8624   21.608   4.4868   25.928   6.4887   17.650   6.2110   96.521   12.441   77.869   15.307 18.65170 19.72477 
1 1 1   11    3   56 o  265.721   5.2779  192.899   7.5738  201.296   10.923  185.124   10.511  271.289   7.4513  260.152   7.4769 11.13712 10.55578 
1 1 1   11    3   57 o  195.503   5.6646  104.832   5.9830  105.382   8.5581  104.307   8.3676  195.978   8.0813  195.028   7.9399 0.9503937 11.32915 
1 1 1   11    3   58 o  207.442   5.5494  118.184   6.2172  123.325   8.8364  113.145   8.7492  211.966   7.7147  202.919   7.9792 9.047623 11.09885 
1 1 1   11    3   59 o  266.017   5.4393  194.382   7.8150  200.082   11.269  189.100   10.848  269.748   7.7308  262.286   7.6536 7.461823 10.87858 
1 1 1   11    3   60 o   56.793   13.236   9.5257   4.7222   10.340   6.6297   8.6868   6.7277   58.659   18.620   54.926   18.818 3.733082 26.47294 
1 1 1   11    3   61 o   60.057   13.373   11.124   4.8472   10.744   6.9360   11.487   6.7768   59.199   19.072   60.916   18.750 -1.716442 26.74538 
1 1 1   11    3   62 o   63.170   13.311   12.650   5.1683   7.5015   7.4552   17.413   7.1711   52.165   19.560   74.175   18.060 -22.00978 26.62272 
1 1 1   11    3   63 o   97.295   10.868   28.440   5.5645   31.296   7.9048   25.634   7.8346  103.301   14.161   91.289   16.489 12.01256 21.73530 
1 1 1   11    3   64 f  104.063   11.179   32.784   6.0310   39.519   8.6220   26.332   8.4390  116.368   13.712   91.758   17.661 24.60907 22.35887 
1 1 1   11    3   65 o   40.753   13.502  -6.3061   7.8006   2.4662   10.801 -15.8716   11.278   46.704   20.883   34.803   17.120 11.90062 27.00364 
1 1 1   11    3   66 o   70.379   16.663   18.029   8.1283   8.6509   11.282   28.153   11.721   54.923   22.893   85.835   24.218 -30.91248 33.32528 
1 1 1   11    4    0 o  1159.26   13.869  3637.08   86.850  3583.99  120.975  3693.54  124.760  1150.55   19.458  1167.96   19.768 -17.41382 27.73786 
1 1 1   11    4    1 o  309.463   6.3789  258.806   10.667   0.0000   0.0000  258.806   10.667  ?   ?   309.463   6.3789      ?      ? 
1 1 1   11    4    2 o  351.930   4.9145  334.687   9.3445  336.881   13.348  332.579   13.086  353.060   6.9964  350.799   6.9036 2.260101 9.828985 
1 1 1   11    4    3 o  501.052   6.4230  678.633   17.390  679.769   24.683  677.514   24.505  501.468   9.1088  500.637   9.0582 0.8309631 12.84609 
1 1 1   11    4    7 o  444.232   8.3028  533.542   19.931   0.0000   0.0000  533.542   19.931  ?   ?   444.232   8.3028      ?      ? 
1 1 1   11    4    8 o  603.198   7.5542  983.773   24.612  999.179   35.429  969.403   34.216  607.753   10.788  598.643   10.577 9.110107 15.10842 
1 1 1   11    4    9 o  471.545   7.5841  607.703   18.399  622.513   22.919  580.856   30.857  479.803   8.8400  463.287   12.326 16.51559 15.16813 
1 1 1   11    4   10 o  631.381   9.5634  1086.60   31.235  1053.38   51.959  1105.41   39.087  623.580   15.420  639.181   11.317 -15.60083 19.12677 
1 1 1   11    4   14 o  623.208   11.035  1052.14   37.149  1035.14   51.710  1070.27   53.404  618.022   15.484  628.393   15.727 -10.37061 22.07039 
1 1 1   11    4   15 o  374.379   6.3887  368.079   11.740  353.697   13.818  405.405   22.261  361.693   7.0700  387.065   10.643 -25.37186 12.77748 
1 1 1   11    4   16 o  887.732   13.368  2094.08   58.662  2029.14   69.529  2254.50  109.279  865.233   14.871  910.230   22.218 -44.99634 26.73533 
1 1 1   11    4   17 o  115.811   3.5454   36.238   2.2183   37.187   3.1681   35.326   3.1071  117.297   4.9984  114.324   5.0295 2.972374 7.090803 
1 1 1   11    4   18 o  290.944   4.3535  228.719   6.8425  233.128   9.8203  224.559   9.5395  293.667   6.1884  288.220   6.1251 5.446320 8.707083 
1 1 1   11    4   19 o  534.058   13.733  772.523   39.633   0.0000   0.0000  772.523   39.633  ?   ?   534.058   13.733      ?      ? 
1 1 1   11    4   20 o  694.963   10.509  1315.45   37.428  1330.62   46.263  1286.71   63.677  701.109   12.211  688.817   17.108 12.29218 21.01870 
1 1 1   11    4   21 o  490.751   7.7986  660.870   19.804  618.243   32.597  685.811   24.934  477.924   12.622  503.578   9.1629 -25.65375 15.59714 
1 1 1   11    4   22 o  660.541   10.103  1178.31   33.780  1190.09   59.383  1172.67   41.073  662.732   16.582  658.350   11.545 4.381470 20.20535 
1 1 1   11    4   23 o  280.859   4.3837  213.208   6.6529  214.730   9.4161  211.692   9.4013  281.860   6.1823  279.859   6.2167 2.001648 8.767456 
1 1 1   11    4   24 o  443.812   5.8923  531.821   14.119  548.503   20.499  516.766   19.474  450.422   8.4221  437.203   8.2430 13.21921 11.78463 
1 1 1   11    4   25 o  1126.30   13.528  3437.55   82.327  3452.96  117.073  3422.48  115.793  1128.78   19.194  1123.81   19.068 4.970703 27.05505 
1 1 1   11    4   26 o  512.143   8.0566  700.514   20.849  734.234   37.108  684.958   25.204  520.950   13.182  503.337   9.2666 17.61337 16.11313 
1 1 1   11    4   27 o  581.073   8.9190  921.563   26.844  942.930   33.699  884.459   44.407  590.486   10.561  571.659   14.375 18.82654 17.83803 
1 1 1   11    4   28 o  649.485   9.8385  1152.25   33.111  1180.54   41.603  1103.38   54.689  660.622   11.654  638.348   15.855 22.27478 19.67707 
1 1 1   11    4   29 o  865.088   10.534  2023.16   49.187  2082.99   71.606  1969.71   67.683  877.156   15.107  853.020   14.684 24.13641 21.06740 
1 1 1   11    4   30 o  768.641   9.4486  1598.40   39.236  1620.12   56.226  1577.78   54.777  773.722   13.448  763.560   13.276 10.16223 18.89727 
1 1 1   11    4   31 o  309.147   4.9155  258.247   8.2098  264.976   11.739  251.805   11.486  313.088   6.9387  305.207   6.9644 7.880798 9.830972 
1 1 1   11    4   32 o  451.689   6.1371  551.672   14.978  547.244   21.031  556.229   21.337  449.851   8.6517  453.526   8.7064 -3.675201 12.27412 
1 1 1   11    4   33 o  504.528   9.2637  688.486   25.241  709.009   36.459  669.594   34.980  511.735   13.185  497.321   13.016 14.41415 18.52741 
1 1 1   11    4   34 o  690.706   12.119  1292.79   45.212  1321.40   65.148  1266.22   62.795  698.052   17.271  683.360   17.006 14.69202 24.23805 
1 1 1   11    4   35 o  432.574   8.3146  506.533   19.435  508.559   27.475  504.504   27.495  433.442   11.731  431.707   11.786 1.735046 16.62924 
1 1 1   11    4   38 o  612.907   7.8293  1015.08   25.891  1054.46   37.907  980.651   35.447  624.003   11.242  601.810   10.900 22.19324 15.65866 
1 1 1   11    4   39 o  213.247   5.1817  122.973   5.9696  126.544   8.5218  119.532   8.3650  216.287   7.2915  210.207   7.3643 6.080002 10.36333 
1 1 1   11    4   40 f  1120.70   13.586  3422.20   82.188  3517.77  119.542  3336.53  113.182  1135.36   19.485  1106.03   18.937 29.32837 27.17151 
1 1 1   11    4   41 o  214.518   5.2181  124.475   6.0402  133.775   8.6466  115.612   8.4414  222.348   7.1965  206.687   7.5581 15.66098 10.43622 
1 1 1   11    4   42 o  269.826   7.6102  197.375   11.089  200.811   16.016  194.212   15.369  272.067   10.894  267.585   10.629 4.481415 15.22045 
1 1 1   11    4   43 o  307.185   7.6698  254.755   12.679  271.622   19.001  241.216   17.024  316.262   11.118  298.108   10.568 18.15329 15.33952 
1 1 1   11    4   44 o  182.508   7.1043   87.457   6.2922   97.185   12.179   83.915   7.3489  189.028   11.923  175.988   7.7277 13.03951 14.20856 
1 1 1   11    4   45 o  367.196   5.5465  365.540   11.005  367.558   15.670  363.576   15.458  368.190   7.8762  366.201   7.8115 1.989532 11.09297 
1 1 1   11    4   46 o   40.008   11.389   1.3785   3.9126  -1.3977   5.4215   4.3959   5.6521   34.338   15.103   45.678   17.050 -11.34038 22.77730 
1 1 1   11    4   47 o  298.307   5.1805  241.298   8.3501  244.799   11.883  237.884   11.736  300.445   7.3194  296.169   7.3332 4.276459 10.36095 
1 1 1   11    4   48 f  183.508   5.4463   91.496   5.3946   86.365   7.6154   96.663   7.6429  178.317   7.9034  188.699   7.4955 -10.38162 10.89251 
1 1 1   11    4   49 o  193.325   5.2892  101.518   5.5253  101.022   7.7918  102.019   7.8364  192.850   7.4770  193.799   7.4830 -0.9487762 10.57835 
1 1 1   11    4   50 o  316.872   5.2953  272.656   9.0630  280.921   13.052  264.960   12.594  321.499   7.5129  312.244   7.4643 9.255127 10.59056 
1 1 1   11    4   51 o  171.221   5.5516   79.686   5.1295   85.762   7.4113   74.099   7.1067  177.496   7.7271  164.947   7.9732 12.54956 11.10319 
1 1 1   11    4   52 o  235.836   7.2887  151.391   9.2886   0.0000   0.0000  151.391   9.2886  ?   ?   235.836   7.2887      ?      ? 
1 1 1   11    4   53 o  163.858   6.1117   73.398   5.4107   72.736   7.6944   74.046   7.6101  163.108   8.7300  164.609   8.5556 -1.500412 12.22340 
1 1 1   11    4   54 o  239.725   7.7294  156.969   10.013   0.0000   0.0000  156.969   10.013  ?   ?   239.725   7.7294      ?      ? 
1 1 1   11    4   55 o  153.983   6.5800   64.839   5.4566   72.758   8.0169   58.004   7.4480  162.751   9.1158  145.216   9.4915 17.53484 13.16006 
1 1 1   11    4   56 o  163.557   8.4668   73.431   7.4830   0.0000   0.0000   73.431   7.4830  ?   ?   163.557   8.4668      ?      ? 
1 1 1   11    4   57 o  187.772   5.7258   96.762   5.8086   99.320   8.2892   94.293   8.1421  190.222   8.0643  185.321   8.1306 4.900406 11.45159 
1 1 1   11    4   58 o   45.294   11.695   2.8492   4.3883   10.100   6.2166  -4.3518   6.1953   58.230   17.964   32.359   14.978 25.87057 23.38932 
1 1 1   11    4   59 o  167.408   6.1006   77.397   5.5184   78.599   7.8470   76.221   7.7620  168.703   8.6078  166.114   8.6473 2.588959 12.20123 
1 1 1   11    4   60 o  149.338   6.6592   61.881   5.3720   63.925   7.7101   59.952   7.4890  151.739   9.4031  146.936   9.4320 4.803116 13.31849 
1 1 1   11    4   61 o  228.754   5.5867  144.325   6.9000  136.348   9.5994  152.852   9.9248  222.162   7.9963  235.346   7.8042 -13.18448 11.17345 
1 1 1   11    4   62 o  125.727   8.1193   45.151   5.4977   49.858   7.8603   40.643   7.6922  132.431   10.984  119.022   11.960 13.40871 16.23860 
1 1 1   11    4   63 o   55.355   13.272   7.6517   5.4636   16.229   7.8222  -0.5200   7.6348   70.650   19.731   40.059   17.756 30.59115 26.54444 
1 1 1   11    4   64 o  151.437   10.576   67.827   8.5703   65.113   11.282   71.532   13.179  148.710   14.039  154.164   15.820 -5.454407 21.15117 
1 1 1   11    4   65 o  141.682   10.871   62.650   8.3212   63.739   11.747   61.554   11.789  143.147   15.187  140.216   15.559 2.931503 21.74209 
1 1 1   11    4   66 o  199.385   6.6017  113.639   7.1040  108.127   10.087  119.063   10.007  194.264   9.6091  204.505   9.0552 -10.24100 13.20340 
1 1 1   11    5    0 o  370.499   5.1329  370.800   10.271  377.447   14.808  364.637   14.258  373.696   7.3333  367.302   7.1839 6.393280 10.26572 
1 1 1   11    5    2 o  662.365   8.2055  1186.50   29.368  1177.69   41.282  1195.52   41.787  659.878   11.577  664.851   11.631 -4.972595 16.41093 
1 1 1   11    5    3 o  882.616   10.698  2108.43   51.015  2127.70   72.876  2089.92   71.439  886.560   15.212  878.671   15.046 7.888550 21.39598 
1 1 1   11    5    4 o  512.126   6.5737  709.066   18.189  714.975   25.989  703.393   25.465  514.214   9.3531  510.037   9.2398 4.177063 13.14742 
1 1 1   11    5    5 o  141.961   5.6946   54.467   4.3684   54.467   4.3684   0.0000   0.0000  141.961   5.6946  ?   ?       ?      ? 
1 1 1   11    5    6 o  1031.51   12.436  2883.11   69.296  2924.10   99.420  2844.38   96.638  1038.61   17.715  1024.41   17.458 14.20630 24.87122 
1 1 1   11    5    7 o  449.270   5.9613  545.551   14.466  552.738   20.808  538.827   20.126  452.129   8.5168  446.410   8.3434 5.718445 11.92263 
1 1 1   11    5    8 o  668.932   8.2883  1210.12   29.946  1232.45   43.137  1189.34   41.605  674.877   11.829  662.987   11.613 11.88934 16.57669 
1 1 1   11    5    9 o  570.426   10.200  880.163   31.440   0.0000   0.0000  880.163   31.440  ?   ?   570.426   10.200      ?      ? 
1 1 1   11    5   10 o  496.729   7.3398  662.734   17.086  677.027   34.272  658.006   19.710  500.116   12.682  493.343   7.3934 6.772980 14.67959 
1 1 1   11    5   11 o  420.720   8.0318  478.607   18.260   0.0000   0.0000  478.607   18.260  ?   ?   420.720   8.0318      ?      ? 
1 1 1   11    5   12 o  296.549   6.4678  237.726   10.364   0.0000   0.0000  237.726   10.364  ?   ?   296.549   6.4678      ?      ? 
1 1 1   11    5   13 o  782.583   11.078  1657.30   46.846   0.0000   0.0000  1657.30   46.846  ?   ?   782.583   11.078      ?      ? 
1 1 1   11    5   14 o  379.213   6.4106  395.358   12.529  366.892   20.760  411.666   15.713  368.232   10.433  390.194   7.4522 -21.96231 12.82118 
1 1 1   11    5   16 o  112.883   4.9596   34.441   3.0253   0.0000   0.0000   34.441   3.0253  ?   ?   112.883   4.9596      ?      ? 
1 1 1   11    5   17 o  564.824   10.077  863.169   30.757   0.0000   0.0000  863.169   30.757  ?   ?   564.824   10.077      ?      ? 
1 1 1   11    5   18 o  878.907   10.671  2086.20   50.542  2001.86   68.501  2186.97   74.879  859.538   14.748  898.277   15.426 -38.73950 21.34219 
1 1 1   11    5   19 o  464.466   12.347  584.009   30.989   0.0000   0.0000  584.009   30.989  ?   ?   464.466   12.347      ?      ? 
1 1 1   11    5   20 o  360.855   6.3401  342.260   11.197  375.450   21.318  329.615   13.159  372.529   10.590  349.181   6.9739 23.34869 12.68011 
1 1 1   11    5   21 o  350.349   6.2268  339.289   11.214  306.757   18.543  358.044   14.080  336.766   10.190  363.933   7.1595 -27.16660 12.45365 
1 1 1   11    5   22 o  469.734   6.1429  596.610   15.592  598.370   22.123  594.873   21.979  470.422   8.7031  469.047   8.6716 1.375183 12.28578 
1 1 1   11    5   23 o  751.337   9.2241  1527.65   37.449  1522.59   52.826  1532.77   53.097  750.087   13.033  752.588   13.057 -2.500366 18.44812 
1 1 1   11    5   24 o  978.808   11.821  2594.65   62.522  2584.30   88.068  2605.17   88.775  976.844   16.684  980.771   16.751 -3.926636 23.64220 
1 1 1   11    5   25 o  294.909   4.6227  234.997   7.3656  239.869   10.513  230.301   10.323  297.910   6.5304  291.908   6.5444 6.002197 9.245319 
1 1 1   11    5   26 o  138.872   4.8585   49.864   3.5612   63.739   5.8465   41.679   4.4904  153.563   7.0456  124.180   6.6918 29.38300 9.717056 
1 1 1   11    5   27 o  726.331   11.002  1404.46   39.925  1490.77   72.775  1367.30   47.752  741.753   18.157  710.908   12.431 30.84497 22.00414 
1 1 1   11    5   28 o  1448.57   21.214  5718.65  156.749  5727.86  192.375  5700.45  270.385  1452.19   24.515  1444.94   34.629 7.250488 42.42870 
1 1 1   11    5   29 o  475.994   7.6337  610.794   18.569  606.695   22.777  618.919   32.064  473.699   8.8981  478.288   12.406 -4.589050 15.26744 
1 1 1   11    5   30 o  456.074   6.1587  562.375   15.177  565.435   21.573  559.376   21.357  457.301   8.7299  454.846   8.6894 2.455170 12.31734 
1 1 1   11    5   31 o  636.460   11.205  1097.36   38.534  1108.33   54.904  1086.71   54.097  639.590   15.886  633.329   15.807 6.260559 22.41042 
1 1 1   11    5   32 o  633.783   11.184  1088.34   38.298  1102.48   54.728  1074.78   53.611  637.808   15.879  629.758   15.754 8.049194 22.36834 
1 1 1   11    5   33 o  771.556   13.376  1614.72   55.755  1638.29   79.885  1592.34   77.853  777.024   19.026  766.088   18.806 10.93567 26.75197 
1 1 1   11    5   34 o  417.188   7.0426  475.673   15.288  489.597   19.340  452.477   24.962  425.488   8.4116  408.888   11.298 16.60046 14.08525 
1 1 1   11    5   35 o  756.250   9.3745  1548.41   38.300  1571.07   54.918  1526.95   53.440  761.623   13.344  750.878   13.171 10.74561 18.74909 
1 1 1   11    5   36 o  451.238   6.2353  550.785   15.204  550.701   21.478  550.869   21.525  451.204   8.8090  451.271   8.8272 -0.6756592E-01 12.47065 
1 1 1   11    5   37 o  121.556   9.6417   39.990   6.3332   0.0000   0.0000   39.990   6.3332  ?   ?   121.556   9.6417      ?      ? 
1 1 1   11    5   38 o  372.210   5.5998  374.548   11.259  383.232   16.177  366.389   15.680  376.390   7.9539  368.030   7.8845 8.359894 11.19957 
1 1 1   11    5   39 o  473.211   6.4488  605.821   16.483  621.317   23.738  591.394   22.905  479.044   9.1703  467.377   9.0695 11.66705 12.89768 
1 1 1   11    5   40 o  170.839   5.6868   78.906   5.2063   93.350   7.5533   65.833   7.1859  185.735   7.5258  155.943   8.5277 29.79233 11.37362 
1 1 1   11    5   41 o  473.061   6.4524  604.933   16.472  629.396   24.067  583.375   22.593  482.025   9.2397  464.097   9.0089 17.92734 12.90470 
1 1 1   11    5   42 o  224.099   8.0705  136.651   9.7447  125.270   13.827  147.883   13.736  214.759   11.915  233.439   10.889 -18.68050 16.14107 
1 1 1   11    5   43 o  311.075   7.8342  262.799   13.167  265.090   18.784  260.586   18.463  312.400   11.128  309.749   11.031 2.651337 15.66837 
1 1 1   11    5   44 o  129.083   8.6765   43.698   5.6065   49.752   10.332   41.171   6.6746  135.030   14.160  123.137   10.031 11.89340 17.35303 
1 1 1   11    5   45 o  396.736   5.8001  426.039   12.418  446.190   18.135  408.247   17.041  405.534   8.2755  387.937   8.1290 17.59787 11.60018 
1 1 1   11    5   46 o  197.151   5.1955  105.248   5.5301   99.325   7.6833  111.615   7.9659  191.395   7.4290  202.907   7.2652 -11.51178 10.39100 
1 1 1   11    5   47 o  123.298   6.7163   41.317   4.4709   43.805   6.4126   38.963   6.2368  126.920   9.3501  119.675   9.6442 7.244347 13.43261 
1 1 1   11    5   48 o  341.241   5.4303  316.042   10.009  324.045   14.417  308.595   13.907  345.397   7.7243  337.084   7.6347 8.313690 10.86065 
1 1 1   11    5   49 o  284.932   5.1449  219.051   7.8954  240.499   11.741  201.348   10.667  297.575   7.3019  272.289   7.2500 25.28607 10.28983 
1 1 1   11    5   50 f   79.330   10.178   17.773   4.2473   15.786   6.0792   19.668   5.9365   74.121   15.668   84.539   12.995 -10.41768 20.35609 
1 1 1   11    5   51 o  286.330   5.1857  222.784   8.0163  229.858   11.641  216.405   11.055  290.625   7.4128  282.035   7.2537 8.589905 10.37140 
1 1 1   11    5   52 o  165.113   7.9831   74.333   7.1226   0.0000   0.0000   74.333   7.1226  ?   ?   165.113   7.9831      ?      ? 
1 1 1   11    5   53 o   74.063   15.850   15.966   6.1518   0.0000   0.0000   15.966   6.1518  ?   ?    74.063   15.850      ?      ? 
1 1 1   11    5   54 o  199.981   5.5112  109.278   5.9512  109.164   8.5793  109.384   8.2621  199.837   7.9449  200.126   7.6401 -0.2893982 11.02238 
1 1 1   11    5   55 o   48.549   11.151   4.1878   4.1781  -4.0389   5.8735   12.615   5.9445   31.883   14.696   65.214   16.774 -33.33136 22.30113 
1 1 1   11    5   56 o  147.448   9.0291   59.819   7.1940   59.819   7.1940   0.0000   0.0000  147.448   9.0291  ?   ?       ?      ? 
1 1 1   11    5   57 o   64.146   12.144   12.334   4.3728   9.3164   6.1564   15.407   6.2121   56.455   17.945   71.836   16.368 -15.38110 24.28887 
1 1 1   11    5   58 o   62.799   11.815   11.530   4.5163   4.5049   6.3170   18.876   6.4594   45.820   17.800   79.778   15.543 -33.95782 23.63049 
1 1 1   11    5   59 o  113.111   7.9496   35.911   4.8469   38.870   6.8734   32.985   6.8358  117.913   10.788  108.309   11.680 9.603989 15.89929 
1 1 1   11    5   60 o  115.533   8.0194   37.538   4.9611   44.474   7.1959   31.253   6.8491  126.003   10.569  105.063   12.064 20.94009 16.03875 
1 1 1   11    5   61 o   45.782   12.868   4.3496   4.7658   3.8377   6.7603   4.8554   6.7196   44.911   18.102   46.652   18.293 -1.741306 25.73512 
1 1 1   11    5   62 o  190.659   7.1853  101.772   7.1891  106.982   11.755   98.659   9.0862  193.577   11.238  187.741   8.9565 5.836212 14.37064 
1 1 1   11    5   63 f  228.321   8.5321  149.957   10.468  161.036   14.482  137.838   15.147  238.025   11.260  218.617   12.822 19.40852 17.06414 
1 1 1   11    5   64 o   81.338   16.412   23.255   7.5621   18.948   9.9506   29.144   11.635   72.818   22.771   89.858   23.642 -17.04004 32.82498 
1 1 1   11    5   65 o  124.616   8.9193   46.232   5.9312   38.779   8.4248   53.556   8.3516  113.594   13.725  135.639   11.395 -22.04456 17.83860 
1 1 1   11    5   66 o   74.366   13.455   19.363   5.4514   17.235   7.6448   21.565   7.7757   69.557   19.535   79.174   18.507 -9.616943 26.90924 
1 1 1   11    6    0 o  493.530   9.0419  658.618   24.114   0.0000   0.0000  658.618   24.114  ?   ?   493.530   9.0419      ?      ? 
1 1 1   11    6    1 o  858.442   10.439  1995.21   48.421  2008.73   69.018  1982.11   67.949  861.297   14.829  855.586   14.697 5.710938 20.87853 
1 1 1   11    6    3 o  951.314   16.272  2451.98   83.645   0.0000   0.0000  2451.98   83.645  ?   ?   951.314   16.272      ?      ? 
1 1 1   11    6    5 o  326.842   4.8509  288.769   8.5672  286.872   12.098  290.678   12.134  325.765   6.8728  327.919   6.8475 -2.154388 9.701718 
1 1 1   11    6    6 o  432.067   8.2538  504.761   19.271   0.0000   0.0000  504.761   19.271  ?   ?   432.067   8.2538      ?      ? 
1 1 1   11    6    7 o  418.027   5.7025  472.432   12.879  475.141   18.394  469.826   18.040  419.201   8.1200  416.853   8.0087 2.347443 11.40499 
1 1 1   11    6    8 o  408.280   5.6182  450.443   12.390  459.327   17.837  442.160   17.223  412.165   8.0087  404.395   7.8814 7.770691 11.23636 
1 1 1   11    6    9 o  240.145   4.2742  155.785   5.5440  149.444   7.7433  162.454   7.9414  235.134   6.0943  245.157   5.9947 -10.02298 8.548456 
1 1 1   11    6   10 o  540.719   8.4158  781.558   22.873  817.793   41.098  765.299   27.531  549.522   13.840  531.916   9.5783 17.60596 16.83156 
1 1 1   11    6   11 o  357.477   5.0739  345.378   9.8013   0.0000   0.0000  345.378   9.8013  ?   ?   357.477   5.0739      ?      ? 
1 1 1   11    6   12 o  267.835   6.0013  193.908   8.6857   0.0000   0.0000  193.908   8.6857  ?   ?   267.835   6.0013      ?      ? 
1 1 1   11    6   13 o  240.630   6.2378  156.527   8.1109   0.0000   0.0000  156.527   8.1109  ?   ?   240.630   6.2378      ?      ? 
1 1 1   11    6   14 o  123.136   5.2856   39.471   3.0619   44.122   6.2361   37.994   3.5148  127.714   9.0361  118.558   5.4863 9.155891 10.57126 
1 1 1   11    6   15 o  926.577   11.262  2321.95   56.272  2235.07   76.665  2423.43   82.856  907.902   15.627  945.252   16.221 -37.35028 22.52402 
1 1 1   11    6   16 o  547.417   6.9647  810.324   20.595  794.937   28.691  826.682   29.583  542.063   9.7949  552.772   9.9038 -10.70941 13.92936 
1 1 1   11    6   17 o  280.679   4.3760  212.930   6.6340  213.915   9.5367  212.007   9.2345  281.306   6.2738  280.053   6.1022 1.253204 8.751999 
1 1 1   11    6   18 o  557.916   14.361  843.243   43.296   0.0000   0.0000  843.243   43.296  ?   ?   557.916   14.361      ?      ? 
1 1 1   11    6   20 o  539.025   8.4469  798.755   23.633  738.964   38.500  834.906   29.937  522.455   13.637  555.594   9.9714 -33.13934 16.89389 
1 1 1   11    6   21 o  154.182   5.4125   64.248   4.5094   0.0000   0.0000   64.248   4.5094  ?   ?   154.182   5.4125      ?      ? 
1 1 1   11    6   22 o  332.350   4.8645  298.546   8.7357  294.670   12.292  302.500   12.417  330.171   6.8898  334.530   6.8690 -4.358429 9.728961 
1 1 1   11    6   23 o  642.340   8.0367  1115.97   27.894  1108.08   39.258  1124.02   39.641  640.047   11.351  644.633   11.380 -4.586060 16.07333 
1 1 1   11    6   24 o  207.387   5.9355  116.236   6.6516   0.0000   0.0000  116.236   6.6516  ?   ?   207.387   5.9355      ?      ? 
1 1 1   11    6   25 f  878.128   10.673  2085.75   50.618  2045.96   70.261  2128.69   72.986  869.440   14.955  886.817   15.231 -17.37628 21.34533 
1 1 1   11    6   26 o   93.397   8.1612   23.581   4.1188   0.0000   0.0000   23.581   4.1188  ?   ?    93.397   8.1612      ?      ? 
1 1 1   11    6   27 o  877.987   12.925  2114.48   59.194  1986.26   95.719  2193.88   75.325  855.809   20.698  900.165   15.486 -44.35614 25.85006 
1 1 1   11    6   28 o  946.231   14.038  2418.93   67.447  2452.70  117.951  2402.52   82.214  950.565   22.963  941.897   16.153 8.667603 28.07543 
1 1 1   11    6   29 o  677.811   11.832  1240.23   43.222  1301.35   63.995  1188.96   58.611  693.076   17.087  662.546   16.371 30.52997 23.66399 
1 1 1   11    6   30 o  537.179   9.6560  780.930   28.023  770.721   39.140  791.667   40.139  533.584   13.575  540.774   13.736 -7.189636 19.31203 
1 1 1   11    6   31 o  179.626   5.8964   86.836   5.6963   99.617   8.3476   75.698   7.7926  191.942   8.0483  167.310   8.6193 24.63231 11.79270 
1 1 1   11    6   32 o  216.922   4.8583  127.232   5.6923  128.122   7.9509  126.295   8.1532  217.703   6.7587  216.141   6.9808 1.562164 9.716542 
1 1 1   11    6   33 o  1023.95   12.395  2842.21   68.555  2890.64   98.604  2796.89   95.379  1032.36   17.676  1015.55   17.381 16.81323 24.78940 
1 1 1   11    6   34 o  513.297   6.8271  711.696   18.917  736.208   27.513  689.717   26.053  521.660   9.7604  504.934   9.5485 16.72568 13.65425 
1 1 1   11    6   35 o  518.207   6.8819  726.300   19.267  737.185   27.568  715.907   26.939  521.999   9.7735  514.416   9.6912 7.583069 13.76372 
1 1 1   11    6   36 o  790.543   9.7743  1693.80   41.749  1710.77   59.619  1677.47   58.480  794.415   13.888  786.671   13.757 7.743286 19.54850 
1 1 1   11    6   37 o  325.099   5.2883  285.651   9.2866  292.852   13.361  278.922   12.916  329.059   7.5143  321.140   7.4432 7.918701 10.57664 
1 1 1   11    6   38 o  391.427   5.7620  414.446   12.186  420.830   17.424  408.334   17.048  394.375   8.1760  388.479   8.1213 5.895538 11.52400 
1 1 1   11    6   39 o  240.023   7.1786  155.866   9.3106   0.0000   0.0000  155.866   9.3106  ?   ?   240.023   7.1786      ?      ? 
1 1 1   11    6   40 f  335.755   5.3791  305.011   9.7581  309.885   13.931  300.315   13.673  338.387   7.6185  333.123   7.5958 5.264679 10.75813 
1 1 1   11    6   41 o  290.171   5.1778  227.653   8.1143  237.492   11.687  218.496   11.275  296.219   7.3013  284.122   7.3437 12.09644 10.35563 
1 1 1   11    6   42 o  273.524   6.6582  208.350   9.1851  219.404   11.310  186.937   15.742  284.658   7.3528  262.390   11.102 22.26767 13.31645 
1 1 1   11    6   43 o  144.573   10.539   57.390   8.1805   63.176   11.386   51.216   11.761  152.251   13.840  136.895   15.899 15.35541 21.07856 
1 1 1   11    6   44 o  403.116   8.6207  442.455   18.775  447.748   26.846  437.387   26.268  405.459   12.253  400.773   12.130 4.686310 17.24134 
1 1 1   11    6   45 o  158.241   5.7579   67.870   4.9159   62.782   6.8415   73.302   7.0683  152.100   8.3241  164.382   7.9574 -12.28157 11.51571 
1 1 1   11    6   46 o  331.620   5.3658  297.542   9.6031  313.524   14.013  283.390   13.186  339.990   7.6273  323.250   7.5492 16.73914 10.73153 
1 1 1   11    6   47 o  198.131   5.3046  106.611   5.6753  110.272   7.9858  102.875   8.0671  201.590   7.3310  194.672   7.6688 6.918274 10.60911 
1 1 1   11    6   48 o  222.689   5.1236  134.607   6.1641  138.550   8.7878  130.788   8.6485  225.905   7.1989  219.472   7.2924 6.432602 10.24714 
1 1 1   11    6   49 o  219.476   5.1362  130.665   6.0872  136.623   8.7950  125.187   8.4336  224.272   7.2573  214.679   7.2700 9.592987 10.27232 
1 1 1   11    6   50 o   68.234   11.059   13.397   4.0190   16.524   5.7997   10.508   5.5745   76.048   14.645   60.420   16.575 15.62798 22.11758 
1 1 1   11    6   51 o  128.071   6.5882   44.829   4.5349   51.207   6.5308   38.889   6.3020  136.943   8.8254  119.198   9.7841 17.74545 13.17637 
1 1 1   11    6   52 o  108.240   7.6721   32.242   4.4606   27.871   6.2264   36.850   6.3933  100.589   11.455  115.891   10.209 -15.30185 15.34422 
1 1 1   11    6   53 f  328.581   5.4581  294.736   9.6909  292.892   13.668  296.600   13.742  327.546   7.7223  329.616   7.7154 -2.069580 10.91616 
1 1 1   11    6   54 o  172.577   5.7734   81.490   5.3837   82.570   7.6274   80.419   7.6000  173.726   8.1250  171.427   8.2043 2.299210 11.54676 
1 1 1   11    6   55 o  250.689   5.3074  171.801   7.1876  176.141   10.311  167.697   10.025  253.763   7.5191  247.616   7.4925 6.146545 10.61480 
1 1 1   11    6   56 o  209.184   5.4614  119.738   6.1690  126.142   8.8696  113.736   8.5859  214.624   7.6478  203.743   7.7985 10.88139 10.92276 
1 1 1   11    6   57 o  139.116   6.5901   53.446   4.9524   54.972   7.1127   52.011   6.8996  141.038   9.3328  137.195   9.3067 3.842789 13.18014 
1 1 1   11    6   58 o  177.876   5.8320   87.227   5.6023   84.521   7.9644   89.878   7.8818  175.071   8.4188  180.680   8.0728 -5.609756 11.66395 
1 1 1   11    6   59 o   98.219   8.9496   27.504   4.7081   24.092   6.7720   30.696   6.5500   91.921   13.634  104.516   11.598 -12.59539 17.89922 
1 1 1   11    6   60 o   90.992   10.066   24.347   4.7937   21.706   6.9189   26.785   6.6478   85.076   15.626   96.909   12.695 -11.83305 20.13296 
1 1 1   11    6   61 o   60.615   12.964   11.089   5.5411   0.1084   8.5873   18.924   7.2533   43.248   19.015   77.983   17.627 -34.73513 25.92835 
1 1 1   11    6   62 o  186.423   8.5546   99.719   8.6025   95.676   11.749  104.392   12.630  182.533   11.912  190.312   12.282 -7.778641 17.10929 
1 1 1   11    6   63 o  153.641   12.691   61.190   8.3200   11.678   10.013  171.599   14.953   61.533   22.748  245.750   11.260 -184.2168 25.38229 
1 1 1   11    6   64 o  121.004   9.0566   43.783   5.8843   38.588   8.3136   48.998   8.3297  113.056   13.608  128.952   11.954 -15.89626 18.11316 
1 1 1   11    6   65 o  144.947   7.6860   60.662   6.0118   59.760   8.6845   61.492   8.3306  143.637   11.189  146.258   10.541 -2.620697 15.37202 
1 1 1   11    6   66 o  127.556   8.6743   48.874   5.9744   46.686   8.4183   51.094   8.4801  124.411   12.522  130.701   12.007 -6.290039 17.34853 
1 1 1   11    7    0 o  592.005   7.4874  947.993   23.950  953.603   34.120  942.544   33.627  593.728   10.635  590.281   10.542 3.446533 14.97479 
1 1 1   11    7    2 o  322.321   4.8519  280.832   8.4494  281.358   12.060  280.324   11.842  322.616   6.9177  322.026   6.8052 0.5909729 9.703817 
1 1 1   11    7    3 o  319.584   4.8801  276.087   8.4262  276.528   12.028  275.662   11.808  319.833   6.9597  319.335   6.8428 0.4978943 9.760189 
1 1 1   11    7    4 o  337.541   4.9963  307.946   9.1121  303.183   12.786  312.862   12.990  334.889   7.0653  340.193   7.0662 -5.303619 9.992509 
1 1 1   11    7    5 o  483.162   6.3542  631.146   16.586  638.698   23.764  623.974   23.159  485.976   9.0495  480.348   8.9225 5.628143 12.70840 
1 1 1   11    7    6 o  784.260   9.6248  1665.21   40.785  1651.02   57.248  1679.84   58.121  780.872   13.567  787.647   13.656 -6.774719 19.24957 
1 1 1   11    7    7 o  832.797   10.203  1878.53   45.917  1878.33   64.927  1878.73   64.946  832.752   14.429  832.841   14.431 -0.8843994E-01 20.40698 
1 1 1   11    7    8 o  394.955   5.5180  421.157   11.767  405.986   16.256  437.858   17.056  387.495   7.7636  402.415   7.8436 -14.91992 11.03609 
1 1 1   11    7   10 o  201.874   5.6012  110.153   6.1102   0.0000   0.0000  110.153   6.1102  ?   ?   201.874   5.6012      ?      ? 
1 1 1   11    7   11 o  393.998   7.8819  419.768   16.781   0.0000   0.0000  419.768   16.781  ?   ?   393.998   7.8819      ?      ? 
1 1 1   11    7   12 o  718.200   8.8722  1395.19   34.432   0.0000   0.0000  1395.19   34.432  ?   ?   718.200   8.8722      ?      ? 
1 1 1   11    7   13 o   99.092   6.4762   26.546   3.4678   0.0000   0.0000   26.546   3.4678  ?   ?    99.092   6.4762      ?      ? 
1 1 1   11    7   14 o  227.277   5.7301  139.629   7.0373   0.0000   0.0000  139.629   7.0373  ?   ?   227.277   5.7301      ?      ? 
1 1 1   11    7   15 o  154.644   8.9769   64.685   7.5015   64.685   7.5015   0.0000   0.0000  154.644   8.9769  ?   ?       ?      ? 
1 1 1   11    7   16 o  172.281   4.1743   79.124   3.8479   87.982   5.9714   72.834   5.0318  180.410   6.1253  164.152   5.6727 16.25749 8.348577 
1 1 1   11    7   17 o  201.034   5.4384  108.034   5.4685  106.057   6.5583  112.545   9.9061  198.078   6.1273  203.990   8.9868 -5.912094 10.87686 
1 1 1   11    7   18 o  195.901   5.6029  103.727   5.9312   0.0000   0.0000  103.727   5.9312  ?   ?   195.901   5.6029      ?      ? 
1 1 1   11    7   19 o  425.312   7.1507  486.322   15.222  497.072   27.416  481.531   18.302  428.603   11.837  422.021   8.0256 6.582733 14.30146 
1 1 1   11    7   20 o  857.708   14.776  1992.10   68.483   0.0000   0.0000  1992.10   68.483  ?   ?   857.708   14.776      ?      ? 
1 1 1   11    7   22 o  1024.11   12.367  2841.29   68.439  2832.33   96.658  2850.31   96.916  1022.49   17.494  1025.73   17.485 -3.241028 24.73424 
1 1 1   11    7   23 o  681.761   11.961  1257.24   44.064   0.0000   0.0000  1257.24   44.064  ?   ?   681.761   11.961      ?      ? 
1 1 1   11    7   24 o  636.087   7.9798  1094.10   27.425  1082.94   38.464  1105.64   39.115  632.789   11.249  639.385   11.321 -6.595886 15.95955 
1 1 1   11    7   25 o  682.827   10.260  1277.80   36.561  1198.20   59.031  1327.33   46.567  665.191   16.423  700.464   12.303 -35.27295 20.51997 
1 1 1   11    7   26 o  569.721   10.129  878.183   31.176  863.288   43.498  893.919   44.707  564.760   14.253  574.682   14.397 -9.921570 20.25882 
1 1 1   11    7   27 o  462.799   8.5344  570.465   21.103  638.288   32.976  523.423   27.463  485.710   12.564  439.888   11.554 45.82224 17.06874 
1 1 1   11    7   28 o  434.300   8.1325  510.023   19.079  517.342   27.419  503.153   26.564  437.315   11.603  431.285   11.398 6.029602 16.26494 
1 1 1   11    7   29 o  721.422   10.935  1398.65   39.917  1378.93   48.411  1440.54   70.551  713.834   12.550  729.010   17.909 -15.17523 21.86919 
1 1 1   11    7   30 o  866.689   12.977  2020.60   56.770  1991.07   68.690  2084.23  100.839  857.363   14.826  876.014   21.302 -18.65045 25.95420 
1 1 1   11    7   31 o  444.253   8.6733  533.723   20.821   0.0000   0.0000  533.723   20.821  ?   ?   444.253   8.6733      ?      ? 
1 1 1   11    7   32 o  222.976   4.9679  134.408   5.9857  135.058   8.4859  133.764   8.4443  223.513   7.0260  222.439   7.0253 1.073959 9.935790 
1 1 1   11    7   33 o  245.254   5.0501  162.621   6.6924  164.909   9.4910  160.359   9.4381  246.971   7.1118  243.538   7.1718 3.432373 10.10014 
1 1 1   11    7   34 f  334.854   5.4160  302.958   9.7953  295.717   13.602  310.759   14.118  330.702   7.6114  339.005   7.7070 -8.303131 10.83197 
1 1 1   11    7   35 o  502.628   6.7583  683.547   18.356  685.774   26.037  681.346   25.881  503.440   9.5711  501.815   9.5443 1.625824 13.51664 
1 1 1   11    7   36 o  887.861   10.880  2138.07   52.180  2172.92   74.995  2105.38   72.647  894.839   15.510  880.882   15.262 13.95691 21.75954 
1 1 1   11    7   37 o  530.590   7.0332  761.627   20.155  776.542   29.051  747.784   27.987  535.586   10.038  525.594   9.8541 9.992004 14.06631 
1 1 1   11    7   38 o  985.442   12.018  2640.88   63.963  2693.08   92.309  2592.66   88.712  994.731   17.173  976.153   16.818 18.57715 24.03679 
1 1 1   11    7   39 o  366.928   5.6071  364.041   11.111  354.523   15.396  374.386   16.051  361.933   7.8722  371.924   7.9868 -9.991333 11.21427 
1 1 1   11    7   40 o  262.759   5.1438  186.852   7.3031  188.953   10.316  184.741   10.340  264.243   7.2248  261.276   7.3238 2.967407 10.28769 
1 1 1   11    7   41 o  399.325   5.8486  431.242   12.609  448.224   18.310  415.926   17.389  406.783   8.3300  391.867   8.2119 14.91605 11.69718 
1 1 1   11    7   42 o  254.554   7.9967  175.969   10.990  186.104   15.704  166.239   15.387  261.761   11.102  247.348   11.512 14.41330 15.99338 
1 1 1   11    7   43 o  237.036   8.0447  152.131   10.277  137.973   14.073  168.311   15.044  225.244   11.562  248.829   11.189 -23.58553 16.08944 
1 1 1   11    7   44 o  313.546   8.0406  267.644   13.622  265.090   19.132  270.270   19.400  312.034   11.347  315.058   11.395 -3.023743 16.08129 
1 1 1   11    7   45 o  247.092   5.0936  165.415   6.7991  160.931   9.4881  170.148   9.7478  243.652   7.2065  250.533   7.2004 -6.881012 10.18719 
1 1 1   11    7   46 o  345.696   5.4737  324.120   10.222  333.475   14.641  315.222   14.279  350.563   7.7289  340.829   7.7530 9.734070 10.94734 
1 1 1   11    7   47 f  268.644   5.1630  195.897   7.4948  195.630   10.576  196.166   10.622  268.462   7.2907  268.826   7.3124 -0.3641052 10.32592 
1 1 1   11    7   48 o  164.430   5.6088   73.382   4.9795   69.723   6.8977   77.365   7.1961  160.151   7.9705  168.709   7.8935 -8.558258 11.21767 
1 1 1   11    7   49 f  160.163   5.7686   69.811   4.9898   66.962   7.0348   72.697   7.0788  156.853   8.2998  163.473   8.0136 -6.619934 11.53711 
1 1 1   11    7   50 f   42.614   11.765   3.1554   3.9606   1.6751   5.7243   4.5149   5.4857   40.059   16.465   45.168   16.810 -5.108574 23.52998 
1 1 1   11    7   51 o  232.378   5.1988  146.417   6.5148  158.461   9.5636  135.990   8.8989  241.262   7.3358  223.494   7.3686 17.76776 10.39755 
1 1 1   11    7   52 o  344.464   5.5176  323.649   10.270  325.545   14.599  321.791   14.450  345.456   7.8206  343.473   7.7855 1.982849 11.03524 
1 1 1   11    7   53 o  167.498   5.8306   76.739   5.2770   75.844   7.4138   77.658   7.5127  166.509   8.2398  168.486   8.2516 -1.977051 11.66120 
1 1 1   11    7   54 o  341.457   5.5926  318.976   10.319  319.219   14.612  318.735   14.574  341.583   7.9165  341.331   7.9018 0.2515259 11.18524 
1 1 1   11    7   55 o  138.557   6.6594   52.741   4.9701   58.968   7.2249   47.147   6.8478  146.378   9.1341  130.736   9.6931 15.64182 13.31876 
1 1 1   11    7   56 o  181.412   5.7148   90.202   5.5939   97.352   8.0674   83.580   7.7634  188.381   7.9251  174.443   8.2358 13.93794 11.42965 
1 1 1   11    7   57 o  122.037   7.2825   41.356   4.7939   44.847   6.8939   38.087   6.6709  127.104   10.037  116.969   10.554 10.13465 14.56492 
1 1 1   11    7   58 o  215.281   5.5523  127.511   6.4553  127.904   9.2953  127.145   8.9715  215.537   7.9809  215.025   7.7213 0.5124969 11.10467 
1 1 1   11    7   59 o  249.940   5.5666  172.021   7.5169  171.375   10.715  172.646   10.548  249.432   7.9501  250.448   7.7937 -1.016541 11.13310 
1 1 1   11    7   60 o  279.485   7.4871  219.334   11.304  227.027   16.083  211.824   15.890  284.452   10.463  274.518   10.712 9.933960 14.97430 
1 1 1   11    7   61 o  147.811   9.3951   63.269   7.4448   53.468   10.265   74.144   10.813  135.151   14.056  160.472   12.470 -25.32091 18.79025 
1 1 1   11    7   62 o  166.371   8.4559   82.163   7.2251   92.007   9.3096   67.252   11.457  181.108   9.5127  151.634   13.983 29.47398 16.91188 
1 1 1   11    7   63 o   78.075   12.970   19.548   5.7011   26.773   8.0278   12.195   8.0977   94.605   15.703   61.545   20.647 33.05951 25.94055 
1 1 1   11    7   64 o  119.542   9.0384   42.874   5.8366   43.092   8.3669   42.667   8.1458  119.694   12.936  119.390   12.626 0.3031845 18.07678 
1 1 1   11    7   65 o   78.462   13.134   21.038   5.5287   17.306   8.0953   24.300   7.5686   70.154   20.236   86.769   16.749 -16.61430 26.26867 
1 1 1   11    8    0 o  655.603   8.2074  1162.17   29.059  1136.61   40.275  1189.93   41.970  648.098   11.500  663.107   11.713 -15.00928 16.41487 
1 1 1   11    8    3 o  373.138   5.3496  375.719   10.772  390.058   15.732  363.062   14.781  379.824   7.6652  366.451   7.4645 13.37280 10.69928 
1 1 1   11    8    4 o  230.169   6.2447  143.205   7.7669  143.205   7.7669   0.0000   0.0000  230.169   6.2447  ?   ?       ?      ? 
1 1 1   11    8    5 o  584.262   7.4480  923.556   23.514  924.819   33.360  922.309   33.149  584.657   10.559  583.867   10.507 0.7899780 14.89603 
1 1 1   11    8    7 o  384.175   5.4550  398.835   11.321  388.656   15.785  409.616   16.245  379.131   7.7051  389.219   7.7239 -10.08798 10.90995 
1 1 1   11    8    8 o  456.078   6.1689  562.566   15.203  562.029   21.551  563.098   21.451  455.860   8.7486  456.296   8.6997 -0.4358215 12.33789 
1 1 1   11    8    9 o  308.394   4.8643  257.131   8.1056  256.967   11.522  257.291   11.405  308.296   6.9164  308.492   6.8416 -0.1961060 9.728526 
1 1 1   11    8   10 o  873.984   10.649  2067.13   50.293   0.0000   0.0000  2067.13   50.293  ?   ?   873.984   10.649      ?      ? 
1 1 1   11    8   11 f  160.428   5.6768   69.570   4.9212   0.0000   0.0000   69.570   4.9212  ?   ?   160.428   5.6768      ?      ? 
1 1 1   11    8   12 o  837.313   10.230  1897.12   46.285   0.0000   0.0000  1897.12   46.285  ?   ?   837.313   10.230      ?      ? 
1 1 1   11    8   13 o  241.212   6.0088  157.279   7.8320   0.0000   0.0000  157.279   7.8320  ?   ?   241.212   6.0088      ?      ? 
1 1 1   11    8   14 o  616.639   8.9689  1028.45   29.885   0.0000   0.0000  1028.45   29.885  ?   ?   616.639   8.9689      ?      ? 
1 1 1   11    8   15 o  779.172   11.070  1649.94   40.411  1636.71   80.470  1654.41   46.731  776.455   19.179  781.890   11.060 -5.434998 22.13988 
1 1 1   11    8   16 o  695.402   17.402  1311.49   65.391   0.0000   0.0000  1311.49   65.391  ?   ?   695.402   17.402      ?      ? 
1 1 1   11    8   17 o  377.186   10.999  384.910   22.418   0.0000   0.0000  384.910   22.418  ?   ?   377.186   10.999      ?      ? 
1 1 1   11    8   18 o  908.782   13.703  2197.52   61.677  2346.85  114.314  2136.20   73.253  929.466   22.760  888.097   15.264 41.36902 27.40499 
1 1 1   11    8   19 o  948.521   14.097  2450.45   68.428  2409.91  116.905  2471.58   84.396  941.902   22.969  955.140   16.352 -13.23822 28.19493 
1 1 1   11    8   20 o  1071.75   12.912  3113.06   74.770  3134.82  106.586  3091.98  104.916  1075.42   18.341  1068.08   18.178 7.343140 25.82353 
1 1 1   11    8   21 o  1208.67   17.837  3941.49  108.692  4045.04  193.218  3893.55  131.465  1219.03   29.332  1198.30   20.303 20.72437 35.67332 
1 1 1   11    8   22 o  306.862   6.4649  254.724   10.711  242.568   15.144  266.892   15.151  299.527   9.3564  314.196   8.9240 -14.66922 12.92978 
1 1 1   11    8   23 o  703.491   12.248  1326.91   46.179  1441.67   70.951  1242.57   60.825  729.552   17.998  677.430   16.616 52.12189 24.49511 
1 1 1   11    8   24 o  101.232   6.7467   24.034   3.4229   43.108   6.2070   15.698   4.1032  126.270   9.0969   76.193   9.9659 50.07693 13.49343 
1 1 1   11    8   25 o  709.424   12.335  1363.32   47.283  1368.92   67.374  1357.88   66.373  710.850   17.540  707.999   17.349 2.850647 24.67035 
1 1 1   11    8   26 o  627.127   15.548  1064.86   52.687   0.0000   0.0000  1064.86   52.687  ?   ?   627.127   15.548      ?      ? 
1 1 1   11    8   27 o  592.190   7.5550  945.766   24.129  907.365   32.892  990.503   35.503  579.222   10.509  605.157   10.857 -25.93414 15.10997 
1 1 1   11    8   28 o  421.262   8.2822  479.798   18.853   0.0000   0.0000  479.798   18.853  ?   ?   421.262   8.2822      ?      ? 
1 1 1   11    8   29 o  116.478   6.9731   36.564   4.2092   37.162   7.0586   36.233   5.2435  117.197   11.146  115.758   8.3827 1.438622 13.94628 
1 1 1   11    8   30 o  1102.22   16.309  3292.84   91.282  3272.03  111.304  3335.58  159.526  1098.12   18.757  1106.32   26.685 -8.196899 32.61775 
1 1 1   11    8   31 o  590.576   14.868  944.820   47.448   0.0000   0.0000  944.820   47.448  ?   ?   590.576   14.868      ?      ? 
1 1 1   11    8   32 o  1057.73   12.800  3035.15   73.150  3003.25  102.364  3068.44  104.571  1052.07   18.006  1063.38   18.198 -11.30884 25.60067 
1 1 1   11    8   33 o  975.154   11.867  2578.19   62.515  2616.05   89.766  2542.54   87.112  982.072   16.915  968.235   16.650 13.83691 23.73486 
1 1 1   11    8   34 o  716.863   8.9919  1391.75   34.831  1392.11   49.366  1391.39   49.153  716.952   12.742  716.774   12.690 0.1778564 17.98379 
1 1 1   11    8   35 o  281.389   5.2652  212.739   7.9777  231.677   11.904  197.300   10.748  292.679   7.5271  270.099   7.3642 22.57956 10.53042 
1 1 1   11    8   36 o  910.918   11.152  2251.32   54.876  2284.20   78.839  2220.42   76.430  917.331   15.905  904.505   15.638 12.82684 22.30452 
1 1 1   11    8   37 o  491.959   6.6814  655.237   17.761  650.183   25.034  660.360   25.203  490.048   9.4539  493.870   9.4440 -3.821472 13.36282 
1 1 1   11    8   38 o  469.329   6.4746  596.332   16.418  603.080   23.473  589.869   22.971  471.922   9.2047  466.736   9.1079 5.186432 12.94915 
1 1 1   11    8   39 o  912.821   11.199  2267.50   55.238  2279.53   78.610  2255.75   77.636  915.190   15.896  910.451   15.780 4.738831 22.39847 
1 1 1   11    8   40 o  391.114   5.7932  414.142   12.241  419.452   17.523  409.081   17.108  393.557   8.2398  388.672   8.1455 4.885345 11.58637 
1 1 1   11    8   41 o  457.104   6.3568  564.863   15.675  592.188   23.004  541.182   21.415  467.375   9.1087  446.833   8.8693 20.54205 12.71350 
1 1 1   11    8   42 o  329.010   8.1023  294.185   14.403  298.874   20.529  289.640   20.213  331.592   11.457  326.429   11.459 5.163147 16.20451 
1 1 1   11    8   43 o  425.645   8.9715  493.786   20.635  497.522   29.262  490.090   29.102  427.250   12.675  424.039   12.701 3.210938 17.94309 
1 1 1   11    8   44 o  353.976   7.0914  340.610   12.534  340.991   22.541  340.440   15.080  353.686   11.794  354.267   7.8773 -0.5808105 14.18273 
1 1 1   11    8   45 o  425.783   6.0798  492.103   13.986  499.055   20.021  485.477   19.545  428.708   8.6424  422.858   8.5537 5.850403 12.15963 
1 1 1   11    8   46 o  366.638   5.6430  365.025   11.180  369.006   15.878  361.111   15.744  368.622   7.9711  364.653   7.9898 3.969360 11.28608 
1 1 1   11    8   47 o   87.711   9.5802   21.693   4.3173   27.593   6.1782   16.062   6.0356  100.453   11.382   74.970   15.413 25.48305 19.16041 
1 1 1   11    8   48 o  175.853   5.5775   84.144   5.2956   81.120   7.5409   87.087   7.4384  172.705   8.0804  179.000   7.6903 -6.294479 11.15493 
1 1 1   11    8   49 o  150.780   5.9551   61.626   4.8195   72.397   7.0707   52.280   6.5865  163.082   8.0235  138.479   8.8021 24.60368 11.91025 
1 1 1   11    8   50 o  107.019   7.5878   31.476   4.3782   30.580   6.3514   32.287   6.0434  105.502   11.141  108.537   10.304 -3.035812 15.17563 
1 1 1   11    8   51 o  385.072   5.8243  403.289   12.095  425.615   17.813  384.194   16.474  394.875   8.3481  375.269   8.1239 19.60538 11.64859 
1 1 1   11    8   52 o  137.210   6.5948   51.507   4.8820   53.718   7.1524   49.578   6.6801  139.932   9.4591  134.489   9.1920 5.443741 13.18961 
1 1 1   11    8   53 o  193.185   5.5231  101.981   5.7652  103.204   8.2098  100.790   8.0979  194.326   7.8184  192.044   7.8034 2.282028 11.04626 
1 1 1   11    8   54 o  225.181   5.3491  138.706   6.5080  137.999   9.2616  139.396   9.1468  224.590   7.6314  225.773   7.4974 -1.182663 10.69812 
1 1 1   11    8   55 o  177.184   5.7074   85.935   5.4578   92.108   7.8856   80.259   7.5615  183.316   7.9606  171.052   8.1808 12.26453 11.41476 
1 1 1   11    8   56 o  113.778   7.5998   36.027   4.6700   37.409   6.6145   34.653   6.5944  116.014   10.551  111.542   10.941 4.472191 15.19951 
1 1 1   11    8   57 o  115.637   7.7371   37.178   4.8202   41.352   7.0806   33.572   6.5804  121.718   10.765  109.556   11.116 12.16175 15.47410 
1 1 1   11    8   58 o  111.661   9.6297   35.492   5.4903   35.676   9.4237   35.398   6.7552  110.907   15.724  112.415   11.120 -1.507568 19.25934 
1 1 1   11    8   59 o  233.892   7.2995  152.066   9.1921  170.495   13.613  136.622   12.462  246.923   10.203  220.860   10.442 26.06340 14.59893 
1 1 1   11    8   60 o   76.992   14.207   19.176   6.1104   14.329   8.7977   23.694   8.4933   66.880   21.473   87.103   18.610 -20.22294 28.41480 
1 1 1   11    8   61 o  188.751   6.4176   99.849   6.5438  101.364   9.1997   98.297   9.3099  190.296   8.9466  187.206   9.2032 3.090790 12.83511 
1 1 1   11    8   62 f   64.863   20.201   13.589   7.8397   0.0000   0.0000   13.589   7.8397  ?   ?    64.863   20.201      ?      ? 
1 1 1   11    8   63 o   45.599   13.356   4.2024   5.3858   4.6502   7.5734   3.7443   7.6607   46.224   18.962   44.974   18.815 1.249981 26.71235 
1 1 1   11    8   64 o  147.009   7.6197   62.311   6.0481   65.230   8.7607   59.652   8.3601  150.283   10.788  143.734   10.764 6.548218 15.23938 
1 1 1   11    8   65 o   48.158   13.244   5.4545   5.4111   12.420   7.8300  -0.9131   7.4865   58.809   20.293   37.507   17.023 21.30211 26.48738 
1 1 1   11    9    0 o  281.164   4.7201  213.383   7.1622  219.847   10.451  207.658   9.8351  285.171   6.7819  277.157   6.5670 8.013275 9.440274 
1 1 1   11    9    1 o  479.372   6.3941  621.517   16.563  621.771   23.508  621.266   23.339  479.468   9.0733  479.276   9.0118 0.1913757 12.78818 
1 1 1   11    9    2 o  621.511   7.9240  1045.22   26.611  1034.34   37.400  1056.38   37.871  618.236   11.195  624.786   11.217 -6.550049 15.84796 
1 1 1   11    9    4 o  351.296   7.4376  333.672   14.119  333.672   14.119   0.0000   0.0000  351.296   7.4376  ?   ?       ?      ? 
1 1 1   11    9    5 f  226.196   4.4982  138.268   5.4956  139.730   7.9087  136.903   7.6420  227.350   6.4376  225.041   6.2843 2.308960 8.996414 
1 1 1   11    9    6 o  516.550   6.8329  721.744   19.071  714.559   26.756  729.162   27.189  513.940   9.6343  519.161   9.6919 -5.221008 13.66577 
1 1 1   11    9    8 o  766.140   13.402  1590.08   55.483   0.0000   0.0000  1590.08   55.483  ?   ?   766.140   13.402      ?      ? 
1 1 1   11    9    9 o  293.345   5.2673  232.199   7.4792  233.784   14.214  231.592   8.7952  293.983   8.9476  292.707   5.5606 1.275238 10.53470 
1 1 1   11    9   10 o  229.827   5.0336  142.763   6.2512   0.0000   0.0000  142.763   6.2512  ?   ?   229.827   5.0336      ?      ? 
1 1 1   11    9   11 o  244.643   4.6282  161.752   6.1184   0.0000   0.0000  161.752   6.1184  ?   ?   244.643   4.6282      ?      ? 
1 1 1   11    9   12 f  306.616   4.9359  254.090   8.1781   0.0000   0.0000  254.090   8.1781  ?   ?   306.616   4.9359      ?      ? 
1 1 1   11    9   13 o  490.459   9.0827  650.627   24.072   0.0000   0.0000  650.627   24.072  ?   ?   490.459   9.0827      ?      ? 
1 1 1   11    9   14 o  392.068   7.7325  415.632   16.382   0.0000   0.0000  415.632   16.382  ?   ?   392.068   7.7325      ?      ? 
1 1 1   11    9   15 o  489.785   9.2447  648.676   24.448  631.531   33.766  667.568   35.445  483.001   12.937  496.569   13.209 -13.56876 18.48950 
1 1 1   11    9   16 o  242.605   6.7136  156.740   8.7225  189.212   13.224  131.734   11.605  264.512   9.2520  220.699   9.7309 43.81345 13.42716 
1 1 1   11    9   17 o  580.562   10.468  911.690   32.841   0.0000   0.0000  911.690   32.841  ?   ?   580.562   10.468      ?      ? 
1 1 1   11    9   18 o  824.866   20.083  1845.72   89.517   0.0000   0.0000  1845.72   89.517  ?   ?   824.866   20.083      ?      ? 
1 1 1   11    9   19 o  804.922   13.924  1736.76   59.996  1899.10   92.768  1620.05   78.660  836.763   20.517  773.081   18.830 63.68237 27.84760 
1 1 1   11    9   20 o  693.842   12.134  1302.69   45.465  1269.59   62.968  1338.74   65.716  684.658   17.020  703.026   17.299 -18.36835 24.26764 
1 1 1   11    9   21 o  1412.68   23.949  5425.18  182.407  5227.48  248.127  5657.66  269.068  1385.02   33.154  1440.35   34.571 -55.32520 47.89872 
1 1 1   11    9   22 o  337.695   9.5622  308.333   17.449   0.0000   0.0000  308.333   17.449  ?   ?   337.695   9.5622      ?      ? 
1 1 1   11    9   23 o  580.590   7.4509  909.811   23.346  878.058   32.035  945.773   34.092  569.815   10.404  591.365   10.669 -21.54987 14.90187 
1 1 1   11    9   24 o  317.196   5.0181  271.982   8.5969  271.256   12.346  272.664   11.978  316.783   7.2122  317.609   6.9793 -0.8256226 10.03625 
1 1 1   11    9   25 o  395.746   7.8937  423.380   16.881   0.0000   0.0000  423.380   16.881  ?   ?   395.746   7.8937      ?      ? 
1 1 1   11    9   26 o  1008.01   12.202  2752.67   66.461  2747.87   93.993  2757.47   93.987  1007.12   17.271  1008.89   17.240 -1.763489 24.40321 
1 1 1   11    9   27 o  417.274   8.2894  470.757   18.691   0.0000   0.0000  470.757   18.691  ?   ?   417.274   8.2894      ?      ? 
1 1 1   11    9   28 o  368.417   5.5154  366.927   10.976  368.650   15.749  365.299   15.306  369.255   7.8928  367.579   7.7061 1.675995 11.03089 
1 1 1   11    9   29 o  623.000   9.6827  1043.73   30.515  1071.85   53.930  1030.48   37.009  628.886   15.870  617.115   11.098 11.77106 19.36538 
1 1 1   11    9   30 o  525.777   8.4319  749.476   22.762  743.919   38.724  752.409   28.135  524.146   13.672  527.408   9.8722 -3.261963 16.86389 
1 1 1   11    9   31 o  625.545   9.6780  1059.36   31.124  1058.35   38.483  1061.26   52.921  625.348   11.388  625.742   15.651 -0.3942261 19.35594 
1 1 1   11    9   32 o  418.876   6.0678  474.530   13.734  476.351   19.465  472.725   19.381  419.676   8.5834  418.076   8.5789 1.600250 12.13558 
1 1 1   11    9   33 o  178.663   5.8464   86.358   5.6319   85.870   8.2309   86.787   7.7227  178.183   8.5486  179.144   7.9777 -0.9609222 11.69283 
1 1 1   11    9   34 o  330.999   5.4934  296.251   9.8208  298.668   14.132  293.994   13.657  332.299   7.8704  329.698   7.6659 2.601105 10.98676 
1 1 1   11    9   35 o  133.765   6.8435   48.299   4.9388   50.665   7.2387   46.238   6.7553  136.820   9.7910  130.710   9.5641 6.109558 13.68706 
1 1 1   11    9   36 o  649.658   8.2926  1143.72   29.110  1146.98   41.396  1140.53   40.944  650.566   11.775  648.749   11.679 1.816956 16.58529 
1 1 1   11    9   37 o  517.643   6.9410  725.755   19.413  728.219   27.671  723.367   27.243  518.500   9.8763  516.786   9.7555 1.714233 13.88207 
1 1 1   11    9   38 o  631.492   8.1009  1081.42   27.643  1082.12   39.176  1080.72   39.011  631.691   11.477  631.292   11.436 0.3989258 16.20190 
1 1 1   11    9   39 o  328.577   5.4375  291.761   9.6440  302.619   14.043  282.070   13.267  334.346   7.7730  322.808   7.6057 11.53748 10.87500 
1 1 1   11    9   40 o  487.931   6.6610  644.952   17.552  659.632   25.365  631.464   24.313  493.237   9.5166  482.626   9.3226 10.61185 13.32208 
1 1 1   11    9   41 f  195.183   7.6170  100.277   7.1754   96.604   8.3590  110.563   13.988  188.810   8.1930  201.555   12.843 -12.74557 15.23395 
1 1 1   11    9   42 o  292.603   8.2076  232.172   12.952  252.928   18.879  213.716   17.803  304.944   11.457  280.262   11.755 24.68192 16.41520 
1 1 1   11    9   43 o  255.522   8.1745  177.831   11.285  182.995   16.077  172.815   15.843  259.193   11.479  251.851   11.642 7.341843 16.34896 
1 1 1   11    9   44 o  182.086   7.3355   86.570   6.4359   98.288   12.658   82.485   7.4741  189.800   12.342  174.372   7.9322 15.42810 14.67104 
1 1 1   11    9   45 o  226.887   5.2480  139.429   6.4281  144.984   9.3405  134.431   8.8600  231.167   7.4775  222.608   7.3656 8.558945 10.49592 
1 1 1   11    9   46 o  265.255   5.2018  190.962   7.4529  192.937   10.718  189.113   10.371  266.568   7.4405  263.942   7.2715 2.626068 10.40365 
1 1 1   11    9   47 o  201.463   5.4296  110.269   5.9097  111.354   8.4586  109.235   8.2600  202.423   7.7331  200.504   7.6238 1.918625 10.85922 
1 1 1   11    9   48 o  141.230   6.2957   54.284   4.7970   58.729   6.9094   50.147   6.6653  146.831   8.7083  135.630   9.0944 11.20071 12.59139 
1 1 1   11    9   49 f  108.204   7.7625   32.119   4.5381   32.753   6.4825   31.509   6.3550  109.252   10.981  107.156   10.975 2.095123 15.52507 
1 1 1   11    9   50 o  462.024   6.4963  583.396   16.213  593.269   23.298  574.124   22.578  465.771   9.2566  458.276   9.1173 7.494995 12.99265 
1 1 1   11    9   51 o   55.639   12.059   8.3038   4.2629   3.6431   5.9634   13.174   6.0963   44.214   17.261   67.064   16.845 -22.84988 24.11857 
1 1 1   11    9   52 o   46.923   12.333   5.0997   4.1737   5.0002   5.8888   5.2002   5.9162   46.682   17.408   47.163   17.476 -0.4810257 24.66634 
1 1 1   11    9   53 o  152.862   6.2958   63.978   5.1929   67.211   7.5970   61.142   7.1146  156.456   8.9860  149.268   8.8205 7.187866 12.59162 
1 1 1   11    9   54 o  231.438   5.3334  146.681   6.6638  140.857   9.4837  152.360   9.3654  226.821   7.7376  236.056   7.3422 -9.234634 10.66670 
1 1 1   11    9   55 o   35.534   11.146  -1.4128   4.2616  -1.6527   6.1100  -1.1855   5.9469   35.465   15.793   35.602   15.731 -0.1370087 22.29121 
1 1 1   11    9   56 o  137.411   6.8992   52.484   5.1050   49.874   7.4097   54.841   7.0432  133.976   10.235  140.845   9.2542 -6.869019 13.79838 
1 1 1   11    9   57 o   67.001   12.332   10.251   5.5463   27.410   8.7652  -1.2072   7.1626   95.226   17.685   38.776   17.192 56.44949 24.66463 
1 1 1   11    9   58 o  199.732   7.3431  110.462   7.8906  120.901   11.856  102.162   10.572  208.036   10.547  191.427   10.220 16.60895 14.68629 
1 1 1   11    9   59 o  130.093   8.5804   47.285   5.9793   40.439   7.9130   56.396   9.1288  119.222   12.283  140.964   11.984 -21.74123 17.16085 
1 1 1   11    9   60 o  108.912   9.1441   34.304   5.3687   32.706   7.7243   35.798   7.4671  106.159   13.465  111.664   12.375 -5.504982 18.28815 
1 1 1   11    9   61 f   51.283   13.644   7.2337   5.1398   7.0864   7.3800   7.3725   7.1626   51.128   19.397   51.438   19.195 -0.3098526 27.28870 
1 1 1   11    9   62 o   88.938   12.219   24.471   5.7361   28.203   8.1139   20.742   8.1102   97.434   15.411   80.441   18.967 16.99284 24.43843 
1 1 1   11    9   63 o  287.059   5.9707  233.352   9.2547  233.054   13.337  233.630   12.853  286.617   8.6114  287.500   8.2730 -0.8819885 11.94148 
1 1 1   11    9   64 o   83.919   12.339   22.529   5.5801   33.297   8.3292   13.761   7.5162  104.553   14.743   63.284   19.791 41.26912 24.67853 
1 1 1   11   10    0 o  318.883   6.9047  275.125   11.896  274.099   16.931  276.126   16.719  318.292   9.8440  319.474   9.6847 -1.181824 13.80934 
1 1 1   11   10    1 o  493.438   9.1556  659.177   24.405  668.919   35.041  650.000   34.009  496.968   13.048  489.908   12.847 7.059998 18.31112 
1 1 1   11   10    2 o  191.928   5.9995   99.575   6.2204  102.568   8.9141   96.734   8.6843  194.738   8.4711  189.118   8.4979 5.619339 11.99895 
1 1 1   11   10    3 o  163.576   5.9218   72.365   5.2318   69.392   7.3580   75.405   7.4406  160.175   8.5011  166.977   8.2464 -6.801468 11.84365 
1 1 1   11   10    4 o  470.545   8.7896  599.151   22.339  586.036   31.015  613.288   32.202  465.207   12.338  475.884   12.522 -10.67767 17.57928 
1 1 1   11   10    5 f  236.373   6.0432  151.126   7.7185  149.257   10.915  152.995   10.917  234.910   8.5985  237.837   8.4941 -2.927063 12.08649 
1 1 1   11   10    6 o  725.592   12.686  1426.66   49.671  1384.01   68.146  1475.00   72.552  714.095   17.660  737.089   18.216 -22.99384 25.37107 
1 1 1   11   10    7 o  352.859   7.1307  336.591   13.589  328.604   18.831  345.270   19.628  348.499   9.9994  357.219   10.169 -8.719971 14.26142 
1 1 1   11   10    8 o  134.173   6.2507   48.572   4.4915   58.018   6.5485   40.180   6.1720  146.470   8.2738  121.876   9.3718 24.59473 12.50144 
1 1 1   11   10    9 o  737.193   12.850  1474.78   51.187  1475.68   72.389  1473.87   72.389  737.420   18.166  736.967   18.178 0.4523315 25.69907 
1 1 1   11   10   11 o  199.387   6.1752  107.464   6.6533   0.0000   0.0000  107.464   6.6533  ?   ?   199.387   6.1752      ?      ? 
1 1 1   11   10   12 o  549.690   9.9625  817.386   29.592   0.0000   0.0000  817.386   29.592  ?   ?   549.690   9.9625      ?      ? 
1 1 1   11   10   16 o  456.537   12.118  563.964   29.895   0.0000   0.0000  563.964   29.895  ?   ?   456.537   12.118      ?      ? 
1 1 1   11   10   17 o  524.939   9.6944  742.466   27.430  698.423   37.221  794.820   40.581  507.987   13.560  541.890   13.859 -33.90250 19.38880 
1 1 1   11   10   18 o  466.585   12.268  588.964   30.931   0.0000   0.0000  588.964   30.931  ?   ?   466.585   12.268      ?      ? 
1 1 1   11   10   19 o  377.938   5.5167  385.304   11.255  366.102   15.512  406.651   16.355  368.015   7.8002  387.860   7.8034 -19.84503 11.03342 
1 1 1   11   10   20 o  1097.90   13.249  3264.81   78.586  3224.19  109.928  3307.28  112.388  1090.93   18.648  1104.87   18.824 -13.94043 26.49711 
1 1 1   11   10   21 o  378.414   5.5364  387.139   11.319  383.149   16.092  391.047   15.924  376.482   7.9102  380.346   7.7481 -3.864227 11.07273 
1 1 1   11   10   22 o  468.253   6.3531  592.573   16.072  580.595   22.449  605.167   23.019  463.401   8.9651  473.104   9.0042 -9.703033 12.70630 
1 1 1   11   10   23 o  1254.11   15.058  4263.54  101.991  4184.81  141.544  4348.57  147.091  1242.12   21.088  1266.09   21.500 -23.97229 30.11555 
1 1 1   11   10   25 o  712.747   8.8995  1374.12   34.269  1352.74   47.895  1396.53   49.054  707.075   12.535  718.419   12.636 -11.34454 17.79890 
1 1 1   11   10   26 o  655.924   11.692  1164.04   41.439   0.0000   0.0000  1164.04   41.439  ?   ?   655.924   11.692      ?      ? 
1 1 1   11   10   27 o  704.948   8.8372  1345.07   33.662  1346.37   47.790  1343.80   47.424  705.281   12.540  704.616   12.456 0.6658936 17.67430 
1 1 1   11   10   28 o  762.182   9.4812  1572.54   39.042  1549.14   54.592  1597.03   55.857  756.387   13.357  767.978   13.460 -11.59088 18.96235 
1 1 1   11   10   29 o  871.747   10.708  2053.40   50.343  1976.44   68.655  2142.90   74.040  854.167   14.874  889.325   15.407 -35.15796 21.41552 
1 1 1   11   10   30 o  482.826   7.8952  642.733   20.211  541.441   29.983  727.096   27.363  447.212   12.407  518.440   9.7673 -71.22784 15.79046 
1 1 1   11   10   31 o  743.932   9.3139  1498.59   37.434  1512.01   53.559  1485.76   52.342  747.177   13.265  740.687   13.078 6.489990 18.62774 
1 1 1   11   10   32 o  911.198   13.638  2244.68   63.140  2224.57   76.978  2286.04  110.377  905.794   15.727  916.601   22.285 -10.80713 27.27563 
1 1 1   11   10   33 o  152.747   6.7001   63.654   5.4821   57.861   8.0600   68.641   7.4783  146.208   10.202  159.285   8.6884 -13.07710 13.40011 
1 1 1   11   10   34 o  154.788   6.6008   64.744   5.4783   65.569   8.3036   64.108   7.2899  155.645   9.8728  153.930   8.7641 1.715134 13.20161 
1 1 1   11   10   35 o  223.528   5.4885  135.086   6.6199  136.658   9.6484  133.688   9.0995  224.749   7.9446  222.307   7.5749 2.442337 10.97702 
1 1 1   11   10   36 o  533.769   7.1216  771.706   20.538  776.771   29.341  766.840   28.757  535.476   10.140  532.061   10.002 3.415039 14.24314 
1 1 1   11   10   37 o  439.678   6.2533  522.954   14.844  534.637   21.529  512.368   20.494  444.341   8.9666  435.015   8.7185 9.325806 12.50651 
1 1 1   11   10   38 o  532.224   7.1126  767.258   20.443  781.147   29.527  754.471   28.332  536.828   10.179  527.622   9.9372 9.206177 14.22530 
1 1 1   11   10   39 o  418.453   6.0913  474.309   13.767  478.008   19.810  470.853   19.145  420.015   8.7285  416.891   8.4987 3.124237 12.18254 
1 1 1   11   10   40 o  370.315   7.4330  376.069   13.896  383.210   16.961  361.487   24.236  376.042   8.3467  364.587   12.302 11.45511 14.86607 
1 1 1   11   10   41 o  368.210   8.6507  368.937   17.210  375.450   24.520  362.612   24.163  371.416   12.217  365.003   12.251 6.412476 17.30138 
1 1 1   11   10   42 f  166.503   9.9938   76.577   8.8915   83.378   12.088   68.559   13.125  174.819   12.796  158.187   15.355 16.63182 19.98757 
1 1 1   11   10   43 o  386.800   7.3412  399.770   14.070  425.225   26.026  389.259   16.725  394.841   12.198  378.760   8.1716 16.08078 14.68236 
1 1 1   11   10   44 o  237.707   5.3121  152.968   6.8089  157.827   10.018  148.795   9.2828  241.186   7.6865  234.227   7.3342 6.959290 10.62417 
1 1 1   11   10   45 o  316.034   5.4366  270.911   9.2775  278.900   13.437  263.634   12.825  320.466   7.7597  311.601   7.6166 8.864960 10.87317 
1 1 1   11   10   46 o  160.129   5.9597   69.846   5.1428   68.271   7.5061   71.240   7.0604  158.380   8.7706  161.878   8.0716 -3.497589 11.91944 
1 1 1   11   10   47 o  131.520   6.8831   47.324   4.8699   45.630   7.1579   48.784   6.6448  129.253   10.248  133.787   9.1914 -4.533875 13.76628 
1 1 1   11   10   48 o  132.154   6.8119   48.132   4.8208   43.352   7.0638   52.299   6.5955  125.839   10.388  138.469   8.8147 -12.63004 13.62388 
1 1 1   11   10   49 o  225.196   5.3351  137.684   6.4802  144.759   9.5253  131.589   8.8416  230.541   7.6461  219.850   7.4425 10.69121 10.67023 
1 1 1   11   10   50 o  171.366   5.8762   79.897   5.4283   83.972   8.0211   76.455   7.3734  175.350   8.4652  167.382   8.1521 7.967392 11.75232 
1 1 1   11   10   51 o  351.856   5.6740  338.199   10.783  341.462   15.526  335.158   14.986  353.443   8.1295  350.269   7.9177 3.173859 11.34804 
1 1 1   11   10   52 o  285.752   5.4145  223.012   8.3560  212.906   11.707  233.509   11.931  279.111   7.7620  292.393   7.5510 -13.28278 10.82902 
1 1 1   11   10   53 o  334.429   5.6139  306.426   10.143  300.410   14.399  312.350   14.289  331.108   8.0480  337.751   7.8291 -6.642731 11.22783 
1 1 1   11   10   54 o  238.754   5.4821  155.944   7.0621  159.712   10.320  152.626   9.6850  241.395   7.9115  236.113   7.5909 5.282394 10.96422 
1 1 1   11   10   55 o  144.738   8.3760   58.534   6.5405   61.014   9.5860   56.374   8.9463  147.522   12.025  141.955   11.663 5.566864 16.75203 
1 1 1   11   10   56 o   61.273   14.595   10.897   5.6235   12.914   8.9627   9.5878   7.2219   65.129   21.722   57.417   19.498 7.712063 29.18934 
1 1 1   11   10   57 o  101.629   11.264   30.642   5.8797   28.626   9.1691   32.050   7.6626   97.121   18.138  106.137   13.360 -9.015480 22.52779 
1 1 1   11   10   58 o  102.894   13.198   30.289   7.3380   30.289   7.3380   0.0000   0.0000  102.894   13.198  ?   ?       ?      ? 
1 1 1   11   10   59 o  246.250   5.7629  167.718   7.6605  168.936   11.104  166.612   10.582  246.980   8.3204  245.519   7.9760 1.461609 11.52586 
1 1 1   11   10   60 o   43.631   12.873   3.0258   5.0469   2.5395   7.4639   3.4354   6.8503   43.536   18.412   43.726   17.997 -0.1903343 25.74646 
1 1 1   11   10   61 o   74.461   12.653   17.317   5.6123   7.6957   7.8629   27.310   8.0132   52.962   20.038   95.959   15.454 -42.99670 25.30512 
1 1 1   11   10   62 o  184.194   6.6630   96.092   6.6115   93.843   9.6596   98.074   9.0685  181.798   9.8329  186.590   8.9941 -4.792847 13.32595 
1 1 1   11   10   63 o  116.752   9.2508   39.967   5.7898   46.849   8.8492   34.816   7.6558  125.422   13.057  108.083   13.108 17.33926 18.50170 
1 1 1   11   10   64 o   52.921   12.537   4.7297   5.4309   19.893   8.2709  -6.7627   7.2006   74.476   20.090   31.365   15.004 43.11121 25.07424 
1 1 1   11   11    0 o  415.174   5.9035  466.139   13.243  467.910   18.878  464.422   18.582  415.948   8.3989  414.399   8.2984 1.548279 11.80697 
1 1 1   11   11    1 o  712.422   10.933  1361.13   39.210  1416.22   70.150  1336.10   47.286  722.380   17.971  702.465   12.457 19.91516 21.86656 
1 1 1   11   11    2 o  600.177   9.3495  979.399   28.840  963.063   48.836  988.147   35.737  596.093   15.161  604.262   10.945 -8.168457 18.69902 
1 1 1   11   11    3 o  565.485   14.513  866.441   44.346  866.441   44.346   0.0000   0.0000  565.485   14.513  ?   ?       ?      ? 
1 1 1   11   11    4 o  459.500   12.300  571.622   30.541  571.622   30.541   0.0000   0.0000  459.500   12.300  ?   ?       ?      ? 
1 1 1   11   11    5 o  514.737   13.420  717.568   37.328  717.568   37.328   0.0000   0.0000  514.737   13.420  ?   ?       ?      ? 
1 1 1   11   11    6 o  130.741   9.5623   46.239   6.7556   46.239   6.7556   0.0000   0.0000  130.741   9.5623  ?   ?       ?      ? 
1 1 1   11   11    7 o  642.700   16.123  1119.82   55.995  1119.82   55.995   0.0000   0.0000  642.700   16.123  ?   ?       ?      ? 
1 1 1   11   11    8 o  601.159   9.2598  992.592   29.236  914.414   46.187  1044.86   37.765  580.952   14.713  621.366   11.247 -40.41394 18.51952 
1 1 1   11   11    9 o  277.947   5.6560  212.102   8.3574  185.180   12.474  234.032   11.258  261.673   8.8215  294.221   7.0811 -32.54807 11.31195 
1 1 1   11   11   10 o  236.332   6.4229  150.977   8.2024   0.0000   0.0000  150.977   8.2024  ?   ?   236.332   6.4229      ?      ? 
1 1 1   11   11   11 o  447.353   6.2262  540.932   15.051   0.0000   0.0000  540.932   15.051  ?   ?   447.353   6.2262      ?      ? 
1 1 1   11   11   12 o  327.224   5.2504  289.384   9.2839   0.0000   0.0000  289.384   9.2839  ?   ?   327.224   5.2504      ?      ? 
1 1 1   11   11   13 o  644.821   8.1872  1124.18   28.527   0.0000   0.0000  1124.18   28.527  ?   ?   644.821   8.1872      ?      ? 
1 1 1   11   11   14 o  180.300   8.0959   87.889   7.8877   0.0000   0.0000   87.889   7.8877  ?   ?   180.300   8.0959      ?      ? 
1 1 1   11   11   15 o  310.358   6.2373  253.643   9.4946  276.577   17.988  244.786   11.179  319.785   10.410  300.932   6.8744 18.85297 12.47469 
1 1 1   11   11   16 o  456.858   7.2232  568.200   15.387  556.982   30.780  571.937   17.767  453.725   12.554  459.990   7.1478 -6.264587 14.44648 
1 1 1   11   11   17 o  902.164   11.011  2202.27   53.659  2165.67   74.665  2241.37   77.167  894.430   15.448  909.899   15.695 -15.46906 22.02214 
1 1 1   11   11   18 o  499.604   9.4059  674.852   25.393   0.0000   0.0000  674.852   25.393  ?   ?   499.604   9.4059      ?      ? 
1 1 1   11   11   19 o  845.554   10.384  1934.80   47.444  1918.46   66.593  1951.64   67.609  841.933   14.637  849.174   14.734 -7.240723 20.76881 
1 1 1   11   11   20 o  369.482   5.5504  369.105   11.080  364.512   15.761  373.593   15.579  367.207   7.9428  371.758   7.7549 -4.550476 11.10079 
1 1 1   11   11   21 o  942.240   11.472  2404.04   58.409  2385.80   82.082  2422.75   83.133  938.625   16.183  945.855   16.265 -7.229736 22.94465 
1 1 1   11   11   23 o  1087.28   13.130  3201.32   77.095  3134.87  106.782  3273.68  111.423  1075.54   18.373  1099.02   18.762 -23.48413 26.26004 
1 1 1   11   11   24 o  696.319   12.371  1311.92   46.548   0.0000   0.0000  1311.92   46.548  ?   ?   696.319   12.371      ?      ? 
1 1 1   11   11   25 o  375.100   5.6740  380.314   11.497  367.565   16.135  393.466   16.387  368.712   8.0983  381.487   7.9496 -12.77484 11.34804 
1 1 1   11   11   26 f  648.994   8.2807  1139.55   29.036  1121.01   40.676  1158.82   41.463  643.613   11.696  654.375   11.726 -10.76251 16.56150 
1 1 1   11   11   27 o  469.307   9.0611  595.669   22.979   0.0000   0.0000  595.669   22.979  ?   ?   469.307   9.0611      ?      ? 
1 1 1   11   11   28 o  407.804   6.0064  449.822   13.233  443.300   18.840  456.172   18.590  404.881   8.6111  410.727   8.3760 -5.845886 12.01288 
1 1 1   11   11   29 o  489.778   6.7280  648.690   17.803  633.490   24.936  664.494   25.426  483.927   9.5358  495.629   9.4938 -11.70285 13.45601 
1 1 1   11   11   30 o  321.358   8.3403  279.287   14.483  279.287   14.483   0.0000   0.0000  321.358   8.3403  ?   ?       ?      ? 
1 1 1   11   11   31 o  199.605   7.1966  107.032   7.0857  109.707   13.104  105.926   8.4233  201.295   12.047  197.915   7.8762 3.380447 14.39323 
1 1 1   11   11   32 o  242.195   6.1981  158.771   8.0822  159.562   10.987  157.838   11.931  242.867   8.3718  241.522   9.1420 1.344498 12.39616 
1 1 1   11   11   33 o  857.457   12.913  1989.96   56.352  1973.27   68.828  2023.87   98.144  852.882   14.934  862.032   21.069 -9.149719 25.82554 
1 1 1   11   11   34 o  436.901   6.2985  516.670   14.867  512.299   21.168  520.925   20.886  435.069   9.0038  438.733   8.8100 -3.663971 12.59701 
1 1 1   11   11   35 o  327.346   5.5567  289.491   9.8036  296.443   14.465  283.584   13.333  330.960   8.0882  323.732   7.6216 7.227295 11.11346 
1 1 1   11   11   36 o  491.774   9.5025  655.049   25.252   0.0000   0.0000  655.049   25.252  ?   ?   491.774   9.5025      ?      ? 
1 1 1   11   11   37 o  462.729   6.5214  579.695   16.297  589.287   23.531  570.854   22.591  466.390   9.3370  459.067   9.1070 7.322571 13.04288 
1 1 1   11   11   38 o  677.671   8.6210  1247.63   31.568  1249.50   44.868  1245.80   44.424  678.156   12.244  677.185   12.140 0.9713745 17.24208 
1 1 1   11   11   39 o  223.144   7.4469  134.480   8.1786  133.507   9.7162  136.847   15.149  221.980   8.1001  224.308   12.498 -2.327530 14.89378 
1 1 1   11   11   40 o  168.146   10.501   77.309   9.5117   78.716   13.020   75.698   13.929  169.867   14.185  166.425   15.488 3.441650 21.00224 
1 1 1   11   11   41 o  677.636   12.540  1262.81   45.911  1247.52   64.171  1278.83   65.711  673.507   17.632  681.765   17.837 -8.258789 25.08081 
1 1 1   11   11   42 o  450.467   8.0242  554.641   18.232  547.523   32.061  558.043   22.165  447.652   13.254  453.281   9.0492 -5.629639 16.04843 
1 1 1   11   11   43 o  380.733   5.8759  392.881   12.074  405.592   17.611  381.608   16.585  386.508   8.4323  374.959   8.1852 11.54895 11.75171 
1 1 1   11   11   44 o  354.129   5.6817  339.921   10.854  352.175   15.920  329.277   14.837  360.046   8.1826  348.213   7.8850 11.83310 11.36346 
1 1 1   11   11   45 o  131.529   7.0040   46.485   4.9350   55.941   7.4652   39.146   6.5771  143.268   9.6428  119.789   10.161 23.47874 14.00807 
1 1 1   11   11   46 o  110.128   8.1512   33.854   4.7503   28.822   7.1187   37.893   6.3781  102.428   12.862  117.828   10.017 -15.40061 16.30239 
1 1 1   11   11   47 o   83.943   10.566   20.076   4.6287   17.899   6.8618   21.894   6.2700   78.742   16.647   89.143   13.016 -10.40091 21.13190 
1 1 1   11   11   48 o  164.047   6.0480   73.276   5.3289   74.793   8.0230   72.079   7.1284  165.481   8.9722  162.612   8.1124 2.869278 12.09595 
1 1 1   11   11   49 f  138.286   6.7735   51.358   4.9756   66.767   7.5785   39.683   6.5964  156.282   8.9740  120.290   10.148 35.99256 13.54693 
1 1 1   11   11   50 o  195.770   5.7277  104.020   6.0351  112.220   9.0416   97.431   8.1049  202.642   8.2571  188.898   7.9402 13.74380 11.45539 
1 1 1   11   11   51 o  400.424   6.1084  439.290   13.216  434.635   18.753  443.883   18.628  398.268   8.7136  402.579   8.5629 -4.311310 12.21678 
1 1 1   11   11   52 o  220.805   5.6356  133.831   6.7028  128.126   9.7407  138.963   9.2378  216.186   8.3382  225.425   7.5837 -9.239044 11.27111 
1 1 1   11   11   53 o  317.747   6.6870  280.619   11.032  269.369   18.117  287.248   13.907  311.724   10.756  323.770   7.9488 -12.04623 13.37405 
1 1 1   11   11   54 o   67.520   13.450   14.238   5.5504   6.5788   8.5452   19.827   7.2999   53.618   20.737   81.421   17.134 -27.80373 26.90019 
1 1 1   11   11   55 o  110.862   10.249   35.246   6.0461   34.437   9.3200   35.833   7.9446  109.188   15.796  112.535   13.065 -3.346558 20.49884 
1 1 1   11   11   56 o   62.609   12.437   12.089   4.6886   6.3901   6.9657   16.809   6.3398   50.438   18.908   74.779   16.161 -24.34119 24.87357 
1 1 1   11   11   57 o  103.645   8.9475   30.187   4.9821   33.262   7.5601   27.826   6.6240  108.155   12.936   99.136   12.365 9.018745 17.89508 
1 1 1   11   11   58 o  158.750   6.8886   70.537   5.8923   66.904   8.5028   73.894   8.1730  154.572   10.180  162.928   9.2832 -8.356720 13.77711 
1 1 1   11   11   59 o   66.386   13.627   14.462   5.2665   11.453   8.0208   16.742   6.9826   60.133   20.547   72.638   17.904 -12.50444 27.25352 
1 1 1   11   11   60 o   77.780   12.473   18.275   5.3652   27.362   8.1549   11.340   7.1243   95.731   15.764   59.829   19.335 35.90264 24.94699 
1 1 1   11   11   61 o   29.292   10.168 -14.4610   5.3288  -7.0221   8.1029 -20.1300   7.0736   34.642   16.382   23.943   12.050 10.69880 20.33642 
1 1 1   11   11   62 o   65.951   14.138   15.057   5.5363   20.276   8.4827   11.184   7.3071   75.141   20.377   56.761   19.603 18.37915 28.27555 
1 1 1   11   11   63 o  112.479   9.5724   37.917   5.7466   37.774   8.7950   38.024   7.5911  111.380   14.613  113.578   12.369 -2.197586 19.14484 
1 1 1   11   12    2 o  148.766   5.6113   59.809   4.5076   60.707   6.5176   58.986   6.2409  149.834   8.0498  147.698   7.8195 2.135559 11.22253 
1 1 1   11   12    3 o  196.311   5.1073  104.245   5.4112   97.906   7.6265  110.672   7.6789  190.294   7.4168  202.327   7.0236 -12.03360 10.21463 
1 1 1   11   12    4 o  932.490   11.410  2354.61   57.454  2300.60   79.438  2413.85   83.196  921.321   15.956  943.659   16.315 -22.33783 22.82088 
1 1 1   11   12    5 o  676.408   12.114  1238.33   44.279   0.0000   0.0000  1238.33   44.279  ?   ?   676.408   12.114      ?      ? 
1 1 1   11   12    7 o  529.484   7.1021  757.948   20.315  742.239   28.342  774.549   29.134  523.845   10.012  535.122   10.075 -11.27655 14.20430 
1 1 1   11   12    8 o  465.079   7.2647  577.818   15.886  599.775   31.831  570.535   18.332  470.764   12.513  459.395   7.3849 11.36899 14.52949 
1 1 1   11   12    9 o  606.323   9.0331  994.110   29.596   0.0000   0.0000  994.110   29.596  ?   ?   606.323   9.0331      ?      ? 
1 1 1   11   12   10 o  629.464   8.0634  1071.25   27.427   0.0000   0.0000  1071.25   27.427  ?   ?   629.464   8.0634      ?      ? 
1 1 1   11   12   11 o  466.695   8.9292  588.940   22.518   0.0000   0.0000  588.940   22.518  ?   ?   466.695   8.9292      ?      ? 
1 1 1   11   12   12 o  232.307   6.6326  145.870   8.3259   0.0000   0.0000  145.870   8.3259  ?   ?   232.307   6.6326      ?      ? 
1 1 1   11   12   14 o  545.593   7.2049  804.611   21.241   0.0000   0.0000  804.611   21.241  ?   ?   545.593   7.2049      ?      ? 
1 1 1   11   12   15 o  514.490   9.5898  715.700   26.661   0.0000   0.0000  715.700   26.661  ?   ?   514.490   9.5898      ?      ? 
1 1 1   11   12   16 o  330.727   6.4136  294.834   10.717  298.198   18.918  293.244   13.005  332.075   10.543  329.379   7.3066 2.696320 12.82726 
1 1 1   11   12   17 o  467.231   6.4278  590.220   16.228  587.827   22.985  592.599   22.916  466.285   9.1222  468.176   9.0581 -1.890869 12.85554 
1 1 1   11   12   19 o  497.998   6.7707  670.611   18.219  668.977   25.893  672.212   25.639  497.395   9.6337  498.601   9.5162 -1.205872 13.54130 
1 1 1   11   12   21 o  524.061   7.0186  742.445   19.872  728.548   27.809  756.947   28.408  519.052   9.9149  529.070   9.9367 -10.01892 14.03723 
1 1 1   11   12   22 o  522.813   7.0117  739.001   19.806  725.107   27.777  753.372   28.250  517.815   9.9271  527.812   9.9049 -9.996826 14.02341 
1 1 1   11   12   23 o  1059.83   12.861  3036.17   73.494  2920.94  100.016  3171.43  108.359  1038.10   17.830  1081.55   18.541 -43.45642 25.72264 
1 1 1   11   12   24 o  325.587   5.4937  286.414   9.6476  289.681   14.115  283.549   13.217  327.323   7.9803  323.852   7.5524 3.470886 10.98745 
1 1 1   11   12   25 o  749.222   9.3816  1519.09   37.970  1489.54   52.889  1550.51   54.544  741.718   13.196  756.726   13.339 -15.00800 18.76321 
1 1 1   11   12   26 o  548.733   7.2995  813.577   21.630  786.217   29.943  843.435   31.280  539.100   10.279  558.366   10.367 -19.26630 14.59900 
1 1 1   11   12   27 o  165.053   8.3549   73.667   7.4517   0.0000   0.0000   73.667   7.4517  ?   ?   165.053   8.3549      ?      ? 
1 1 1   11   12   28 o  680.957   8.6730  1255.32   31.913  1242.16   44.930  1268.72   45.335  677.354   12.275  684.560   12.256 -7.205261 17.34601 
1 1 1   11   12   29 o  753.512   13.296  1537.76   54.139   0.0000   0.0000  1537.76   54.139  ?   ?   753.512   13.296      ?      ? 
1 1 1   11   12   30 o  727.484   9.1671  1431.91   36.011  1391.61   49.798  1476.08   52.138  716.783   12.857  738.185   13.071 -21.40204 18.33426 
1 1 1   11   12   31 o  414.433   7.4972  452.741   15.364  495.270   28.718  435.685   18.186  427.553   12.430  401.313   8.3862 26.24030 14.99441 
1 1 1   11   12   32 o  282.527   6.8101  207.379   9.4216  236.486   18.069  196.510   11.041  295.506   11.316  269.548   7.5805 25.95828 13.62016 
1 1 1   11   12   33 o  342.749   6.6342  314.816   11.962  304.578   15.152  331.757   19.490  335.495   8.3579  350.003   10.305 -14.50882 13.26835 
1 1 1   11   12   34 o  441.625   7.5068  531.999   17.468  545.071   22.498  512.162   27.716  448.653   9.2801  434.598   11.802 14.05487 15.01356 
1 1 1   11   12   35 o  393.664   8.3326  419.516   17.725   0.0000   0.0000  419.516   17.725  ?   ?   393.664   8.3326      ?      ? 
1 1 1   11   12   36 o   74.027   12.249   15.792   4.7435   13.956   7.5876   16.970   6.0776   70.371   19.351   77.682   15.022 -7.311028 24.49724 
1 1 1   11   12   37 o  502.693   9.6509  685.130   26.215   0.0000   0.0000  685.130   26.215  ?   ?   502.693   9.6509      ?      ? 
1 1 1   11   12   38 o  597.438   9.7541  975.494   29.692  982.254   36.450  962.162   51.190  601.339   11.217  593.536   15.961 7.803955 19.50821 
1 1 1   11   12   39 o  290.292   8.3913  229.327   13.156  236.712   18.546  221.847   18.665  295.037   11.633  285.548   12.097 9.488861 16.78252 
1 1 1   11   12   40 o  314.184   8.4251  268.812   14.301  276.802   20.362  261.036   20.089  318.810   11.820  309.558   12.009 9.251923 16.85025 
1 1 1   11   12   41 o  296.750   6.9638  240.954   10.185  235.586   18.628  243.242   12.164  293.994   11.726  299.506   7.5156 -5.512054 13.92751 
1 1 1   11   12   42 o  196.062   5.8030  104.016   6.0897  106.584   9.3238  102.106   8.0420  198.110   8.7096  194.014   7.6709 4.095490 11.60600 
1 1 1   11   12   43 o  129.080   7.2765   44.873   5.0271   49.128   7.7800   41.823   6.5868  134.225   10.727  123.935   9.8354 10.29005 14.55309 
1 1 1   11   12   44 o  127.474   7.3207   43.893   5.0155   48.914   7.5855   39.994   6.6854  133.869   10.486  121.079   10.218 12.78950 14.64132 
1 1 1   11   12   45 o  286.012   5.5029  222.495   8.4986  213.524   12.052  231.366   11.986  280.235   7.9590  291.789   7.6016 -11.55399 11.00589 
1 1 1   11   12   46 o  233.746   5.4677  148.718   6.8958  146.612   9.9903  150.635   9.5302  232.117   7.9649  235.376   7.4929 -3.259216 10.93545 
1 1 1   11   12   47 o  137.540   7.0783   52.524   5.1814   45.854   7.6891   58.072   7.0127  129.238   11.010  145.842   8.8985 -16.60381 14.15662 
1 1 1   11   12   48 o  312.760   5.5820  265.978   9.4208  280.085   13.770  253.564   12.917  320.517   7.9504  305.004   7.8373 15.51306 11.16392 
1 1 1   11   12   49 o  183.873   5.9179   92.410   5.8681   91.939   8.5618   92.827   8.0585  183.363   8.6411  184.383   8.0880 -1.020203 11.83572 
1 1 1   11   12   50 o  375.555   5.9140  386.030   12.001  380.379   16.986  391.662   16.957  372.771   8.4326  378.339   8.2943 -5.567932 11.82809 
1 1 1   11   12   51 o  178.299   11.954   88.378   11.517   88.378   11.517   0.0000   0.0000  178.299   11.954  ?   ?       ?      ? 
1 1 1   11   12   52 o  233.671   7.3292  150.089   9.1126  156.554   14.307  145.676   11.821  237.448   11.150  229.894   9.5153 7.554581 14.65849 
1 1 1   11   12   53 o   58.608   14.454   8.4818   5.6631   14.482   9.1165   4.7117   7.2264   68.976   21.828   48.241   18.953 20.73429 28.90812 
1 1 1   11   12   54 o   65.489   13.051   12.656   5.2117   19.554   7.4465   6.0338   7.2967   80.447   17.618   50.532   19.259 29.91557 26.10139 
1 1 1   11   12   55 f  102.425   9.3704   30.208   5.1033   26.682   7.6075   33.093   6.8814   96.373   14.608  108.478   11.739 -12.10482 18.74081 
1 1 1   11   12   56 o  145.295   7.2548   59.694   5.5868   53.333   8.4777   64.577   7.4277  137.838   11.382  152.752   8.9987 -14.91403 14.50963 
1 1 1   11   12   57 o   52.715   13.373   6.7602   5.0200   12.235   7.7039   2.7198   6.6179   62.661   20.091   42.770   17.655 19.89102 26.74627 
1 1 1   11   12   58 o   63.317   13.751   12.614   5.1215   13.401   7.8139   12.022   6.7811   64.775   20.166   61.859   18.700 2.915745 27.50230 
1 1 1   11   12   59 o  106.045   10.463   32.784   5.6973   44.476   8.7232   24.086   7.5236  123.733   13.047   88.357   16.360 35.37523 20.92551 
1 1 1   11   12   60 o  175.762   7.3753   88.709   6.8480   70.180   9.8933  105.752   9.4885  156.880   11.670  194.645   9.0212 -37.76465 14.75060 
1 1 1   11   12   61 o  190.165   6.8968  103.296   7.0725  104.118   10.350  102.575   9.6872  190.554   10.051  189.777   9.4464 0.7770081 13.79361 
1 1 1   11   12   62 o   51.096   13.909   7.0274   5.4708   11.369   8.3901   3.8159   7.2158   58.148   20.925   44.045   18.329 14.10300 27.81781 
1 1 1   11   12   63 f  102.835   10.927   33.047   5.7568   44.433   8.6970   24.168   7.6803  120.709   13.333   84.961   17.316 35.74772 21.85497 
1 1 1   11   13    1 o  490.861   9.4701  651.609   25.119   0.0000   0.0000  651.609   25.119  ?   ?   490.861   9.4701      ?      ? 
1 1 1   11   13    2 o  281.940   5.2178  214.931   7.9477  212.241   11.307  217.558   11.174  280.194   7.4678  283.686   7.2892 -3.492004 10.43556 
1 1 1   11   13    3 o  474.564   6.5768  608.873   16.863  597.988   23.627  620.176   24.075  470.242   9.2984  478.886   9.3035 -8.644348 13.15353 
1 1 1   11   13    4 o  467.351   6.5422  590.570   16.521  581.840   23.216  599.525   23.514  463.852   9.2625  470.850   9.2417 -6.997528 13.08444 
1 1 1   11   13    5 o  881.630   10.865  2103.28   51.725  2056.71   71.580  2154.17   74.828  871.448   15.201  891.811   15.528 -20.36371 21.72948 
1 1 1   11   13    8 o  1086.50   15.065  3235.46   78.003  3135.14  150.405  3272.38   91.230  1073.72   25.923  1099.28   15.358 -25.55408 30.13085 
1 1 1   11   13    9 o  615.272   7.9522  1023.41   26.439   0.0000   0.0000  1023.41   26.439  ?   ?   615.272   7.9522      ?      ? 
1 1 1   11   13   10 o  621.239   8.0209  1043.33   26.926   0.0000   0.0000  1043.33   26.926  ?   ?   621.239   8.0209      ?      ? 
1 1 1   11   13   11 o  1167.40   14.092  3688.27   88.898   0.0000   0.0000  3688.27   88.898  ?   ?   1167.40   14.092      ?      ? 
1 1 1   11   13   12 o  264.244   8.1642  188.756   11.658   0.0000   0.0000  188.756   11.658  ?   ?   264.244   8.1642      ?      ? 
1 1 1   11   13   13 o  937.216   11.496  2375.66   58.223   0.0000   0.0000  2375.66   58.223  ?   ?   937.216   11.496      ?      ? 
1 1 1   11   13   14 o  891.646   10.950  2150.06   52.757   0.0000   0.0000  2150.06   52.757  ?   ?   891.646   10.950      ?      ? 
1 1 1   11   13   15 o  593.068   7.7322  950.779   24.780   0.0000   0.0000  950.779   24.780  ?   ?   593.068   7.7322      ?      ? 
1 1 1   11   13   16 o  340.872   6.4434  303.570   9.8062  333.108   21.457  295.772   11.025  350.934   11.315  330.810   6.1675 20.12399 12.88674 
1 1 1   11   13   17 o  466.112   7.9960  576.037   18.575  617.568   34.090  558.499   22.153  477.730   13.205  454.494   9.0201 23.23654 15.99205 
1 1 1   11   13   19 o  590.021   7.7382  940.440   24.654  911.786   34.094  971.846   35.694  580.617   10.867  599.426   11.020 -18.80902 15.47644 
1 1 1   11   13   20 o  835.304   14.591  1888.84   65.858   0.0000   0.0000  1888.84   65.858  ?   ?   835.304   14.591      ?      ? 
1 1 1   11   13   21 o  794.414   14.019  1708.43   60.180   0.0000   0.0000  1708.43   60.180  ?   ?   794.414   14.019      ?      ? 
1 1 1   11   13   22 o  632.556   11.500  1082.64   39.310   0.0000   0.0000  1082.64   39.310  ?   ?   632.556   11.500      ?      ? 
1 1 1   11   13   24 o  278.337   7.7135  209.465   11.601   0.0000   0.0000  209.465   11.601  ?   ?   278.337   7.7135      ?      ? 
1 1 1   11   13   25 o  491.137   6.8352  651.444   18.126  624.818   25.055  680.682   26.255  480.625   9.6471  501.649   9.6856 -21.02386 13.67032 
1 1 1   11   13   26 o  641.899   8.2763  1114.42   28.696  1086.11   39.898  1144.75   41.302  633.465   11.656  650.332   11.753 -16.86719 16.55258 
1 1 1   11   13   27 o  435.418   6.3897  512.896   15.031  502.258   21.285  523.479   21.230  430.908   9.1411  439.928   8.9305 -9.020538 12.77939 
1 1 1   11   13   28 o  552.971   7.4214  826.973   22.170  805.145   30.937  850.013   31.785  545.474   10.496  560.467   10.495 -14.99268 14.84286 
1 1 1   11   13   29 o  144.245   9.7261   56.304   7.5811   0.0000   0.0000   56.304   7.5811  ?   ?   144.245   9.7261      ?      ? 
1 1 1   11   13   30 o   76.934   13.251   16.655   5.3378   16.838   8.7031   16.545   6.7581   77.288   20.502   76.580   16.794 0.7081299 26.50212 
1 1 1   11   13   31 f  512.333   7.0605  710.357   19.544  692.552   27.422  728.738   27.861  505.806   10.033  518.861   9.9370 -13.05548 14.12099 
1 1 1   11   13   32 o  224.418   7.5475  143.451   8.1935  120.158   14.809  153.729   9.8363  210.467   13.021  238.370   7.6365 -27.90303 15.09508 
1 1 1   11   13   33 o  532.112   10.100  767.068   29.040   0.0000   0.0000  767.068   29.040  ?   ?   532.112   10.100      ?      ? 
1 1 1   11   13   34 o   93.244   11.224   23.578   5.4785   29.078   8.3712   19.457   7.2456  103.413   14.980   83.074   16.720 20.33920 22.44892 
1 1 1   11   13   35 o  239.668   5.6704  155.369   7.3151  157.137   10.862  153.901   9.8958  240.894   8.3442  238.442   7.6804 2.452377 11.34080 
1 1 1   11   13   36 o  242.927   12.714  160.428   16.690   0.0000   0.0000  160.428   16.690  ?   ?   242.927   12.714      ?      ? 
1 1 1   11   13   37 o  396.141   8.9995  426.414   19.252  444.820   27.803  409.459   26.684  404.344   12.725  387.939   12.729 16.40506 17.99893 
1 1 1   11   13   38 o   92.673   17.019   25.225   8.9782   33.874   12.176   14.919   13.292  108.970   21.442   76.377   26.435 32.59277 34.03754 
1 1 1   11   13   39 o  140.137   13.572   58.048   9.2830   78.626   12.810   35.293   13.471  169.639   13.975  110.635   23.270 59.00391 27.14414 
1 1 1   11   13   40 o  249.351   7.0316  167.500   8.4993  172.590   16.192  165.564   9.9854  251.601   11.910  247.102   7.4783 4.498428 14.06322 
1 1 1   11   13   41 o  351.268   5.7686  334.876   10.938  334.981   15.845  334.780   15.116  351.284   8.3475  351.253   7.9641 0.3161621E-01 11.53723 
1 1 1   11   13   42 o  139.118   7.1101   52.571   5.2604   53.526   8.2340   51.912   6.8377  140.088   10.877  138.148   9.1595 1.940155 14.22016 
1 1 1   11   13   43 o  115.105   8.1655   35.316   5.0138   43.268   7.8479   29.832   6.5172  125.774   11.547  104.435   11.548 21.33869 16.33106 
1 1 1   11   13   44 o  359.906   8.0534  352.235   15.662   0.0000   0.0000  352.235   15.662  ?   ?   359.906   8.0534      ?      ? 
1 1 1   11   13   45 o  146.742   7.0452   59.714   5.4978   51.690   8.1553   66.397   7.4434  137.396   10.984  156.087   8.8251 -18.69156 14.09044 
1 1 1   11   13   46 o  239.178   7.5197  155.711   9.7188   0.0000   0.0000  155.711   9.7188  ?   ?   239.178   7.5197      ?      ? 
1 1 1   11   13   47 f   81.674   11.019   18.256   4.7039   25.886   7.3776   13.029   6.1060   96.516   14.146   66.831   16.898 29.68537 22.03732 
1 1 1   11   13   48 o  158.825   6.5584   69.959   5.5487   62.174   8.2688   76.336   7.4839  150.469   10.170  167.182   8.2842 -16.71294 13.11687 
1 1 1   11   13   49 o  152.822   8.7635   71.139   6.3892   49.369   11.009   82.196   7.8456  132.335   15.395  173.310   8.3775 -40.97498 17.52700 
1 1 1   11   13   50 o  111.689   10.294   34.072   6.0200   39.347   10.081   31.149   7.5051  117.795   15.837  105.583   13.154 12.21228 20.58794 
1 1 1   11   13   51 o  103.993   11.029   29.942   6.0571   34.865   9.9075   27.004   7.6541  110.263   16.628   97.722   14.495 12.54156 22.05890 
1 1 1   11   13   52 o   53.961   12.803   7.6557   4.7711   2.3970   6.9527   12.336   6.5592   43.789   18.088   64.134   18.124 -20.34471 25.60578 
1 1 1   11   13   53 o  102.396   9.2996   29.526   5.0934   30.297   7.8121   28.956   6.7174  103.257   14.001  101.535   12.243 1.721657 18.59913 
1 1 1   11   13   54 o  205.689   6.0184  116.972   6.6647  113.344   9.7597  120.141   9.1230  202.485   8.9198  208.892   8.0822 -6.407272 12.03679 
1 1 1   11   13   55 o  129.963   7.7312   46.675   5.3879   52.002   8.2685   42.745   7.1028  136.203   11.234  123.723   10.624 12.48069 15.46237 
1 1 1   11   13   56 o   74.883   12.825   17.129   5.1017   19.947   7.8307   15.051   6.7248   80.069   18.475   69.697   17.794 10.37111 25.65044 
1 1 1   11   13   57 o  173.511   6.8651   84.661   6.3865   78.091   9.3836   90.331   8.7171  166.768   10.413  180.254   8.9495 -13.48564 13.73026 
1 1 1   11   13   58 o  123.351   9.1152   44.527   5.9819   41.697   9.0886   46.689   7.9455  118.998   14.134  127.703   11.514 -8.705238 18.23042 
1 1 1   11   13   59 o  131.734   8.8104   49.356   6.2329   54.683   9.4814   45.302   8.2713  137.750   12.738  125.718   12.176 12.03152 17.62080 
1 1 1   11   13   60 o   52.727   14.303   7.4362   5.7581   11.187   8.7099   4.5238   7.6745   58.913   21.304   46.541   19.089 12.37184 28.60507 
1 1 1   11   13   61 o   77.261   13.607   20.220   5.6323   23.179   8.5579   17.959   7.4808   82.058   19.574   72.465   18.906 9.593231 27.21334 
1 1 1   11   13   62 o   49.525   13.640   6.1500   5.4986   12.339   8.2786   1.2647   7.3554   58.959   20.831   40.090   17.613 18.86987 27.27933 
1 1 1   11   14    0 o  894.247   15.690  2169.41   75.787  2126.58  105.371  2215.31  109.084  885.138   22.031  903.357   22.347 -18.21899 31.38018 
1 1 1   11   14    1 o  197.607   9.6824  106.107   10.283  100.923   15.125  110.563   14.023  193.079   14.497  202.133   12.839 -9.053894 19.36487 
1 1 1   11   14    2 o  792.465   12.153  1717.43   49.581  1647.75   83.111  1755.94   61.778  779.521   19.731  805.410   14.195 -25.88892 24.30617 
1 1 1   11   14    3 o  231.471   5.3405  144.799   6.6770  138.867   9.3643  150.933   9.5230  226.649   7.6460  236.294   7.4582 -9.645142 10.68110 
1 1 1   11   14    4 o  703.332   8.9730  1337.86   34.093  1314.20   47.523  1362.95   48.937  696.933   12.619  709.730   12.760 -12.79749 17.94604 
1 1 1   11   14    5 o  360.506   5.8008  351.303   11.297  353.249   16.185  349.454   15.776  361.477   8.2861  359.535   8.1201 1.942413 11.60151 
1 1 1   11   14    6 o  781.216   9.7727  1651.60   41.255  1647.48   58.296  1655.74   58.390  780.240   13.827  782.193   13.814 -1.952881 19.54532 
1 1 1   11   14    7 o  661.472   8.5400  1180.80   30.476  1136.64   41.686  1231.50   44.667  648.230   11.901  674.714   12.251 -26.48340 17.07990 
1 1 1   11   14    8 o  718.633   10.309  1411.62   35.453  1367.57   67.942  1428.11   41.560  710.564   17.695  726.703   10.583 -16.13940 20.61836 
1 1 1   11   14    9 o  535.778   7.2262  775.899   20.921   0.0000   0.0000  775.899   20.921  ?   ?   535.778   7.2262      ?      ? 
1 1 1   11   14   10 o  637.718   8.2534  1099.37   28.441   0.0000   0.0000  1099.37   28.441  ?   ?   637.718   8.2534      ?      ? 
1 1 1   11   14   13 o  750.344   13.213  1523.45   53.574   0.0000   0.0000  1523.45   53.574  ?   ?   750.344   13.213      ?      ? 
1 1 1   11   14   14 o  298.678   5.6308  241.092   9.0879   0.0000   0.0000  241.092   9.0879  ?   ?   298.678   5.6308      ?      ? 
1 1 1   11   14   15 o  662.240   8.4938  1185.67   30.395   0.0000   0.0000  1185.67   30.395  ?   ?   662.240   8.4938      ?      ? 
1 1 1   11   14   16 o  585.079   9.4660  909.021   27.438  969.594   50.832  884.116   32.594  598.401   15.720  571.758   10.550 26.64307 18.93191 
1 1 1   11   14   17 f  299.117   6.6476  244.997   10.086  232.883   17.388  251.139   12.382  293.431   10.966  304.802   7.5175 -11.37146 13.29529 
1 1 1   11   14   18 o  559.936   7.4622  847.500   22.567  862.254   32.541  833.831   31.322  564.622   10.666  555.250   10.439 9.371765 14.92440 
1 1 1   11   14   20 o  802.025   10.007  1738.35   43.311  1679.34   59.397  1805.36   63.292  787.542   13.957  816.508   14.345 -28.96594 20.01458 
1 1 1   11   14   21 o  357.541   5.9499  345.694   11.492  345.208   16.453  346.158   16.058  357.291   8.5219  357.790   8.3056 -0.4985657 11.89979 
1 1 1   11   14   23 f  735.160   9.2977  1461.62   36.907  1423.87   50.996  1503.14   53.483  725.218   13.013  745.102   13.283 -19.88409 18.59538 
1 1 1   11   14   24 o  389.346   6.1777  409.769   12.993  395.633   18.170  424.561   18.587  382.475   8.7915  396.216   8.6813 -13.74127 12.35538 
1 1 1   11   14   25 o  505.295   9.8324  690.753   26.847   0.0000   0.0000  690.753   26.847  ?   ?   505.295   9.8324      ?      ? 
1 1 1   11   14   26 f  475.726   9.4621  612.217   24.324   0.0000   0.0000  612.217   24.324  ?   ?   475.726   9.4621      ?      ? 
1 1 1   11   14   27 o  278.052   7.9597  209.086   11.959   0.0000   0.0000  209.086   11.959  ?   ?   278.052   7.9597      ?      ? 
1 1 1   11   14   28 o  264.031   7.9260  188.563   11.308   0.0000   0.0000  188.563   11.308  ?   ?   264.031   7.9260      ?      ? 
1 1 1   11   14   29 o  321.383   5.9122  279.404   10.251  258.917   14.359  300.698   14.640  309.358   8.5899  333.408   8.1258 -24.05026 11.82433 
1 1 1   11   14   30 o  153.876   9.5328   64.093   7.9264   0.0000   0.0000   64.093   7.9264  ?   ?   153.876   9.5328      ?      ? 
1 1 1   11   14   31 o  187.816   8.3561   95.475   8.4806   0.0000   0.0000   95.475   8.4806  ?   ?   187.816   8.3561      ?      ? 
1 1 1   11   14   32 o  265.241   7.7685  190.391   11.134   0.0000   0.0000  190.391   11.134  ?   ?   265.241   7.7685      ?      ? 
1 1 1   11   14   33 o  203.087   9.8662  110.943   10.761   95.833   14.482  129.572   16.080  187.775   14.273  218.398   13.626 -30.62332 19.73232 
1 1 1   11   14   34 o  597.808   11.336  969.758   36.618  969.758   36.618   0.0000   0.0000  597.808   11.336  ?   ?       ?      ? 
1 1 1   11   14   35 o  280.203   11.734  213.288   17.767  213.288   17.767   0.0000   0.0000  280.203   11.734  ?   ?       ?      ? 
1 1 1   11   14   36 o  290.330   8.7218  229.353   13.674  231.757   19.057  226.802   19.632  291.938   12.080  288.721   12.584 3.216431 17.44355 
1 1 1   11   14   37 o  318.744   8.7957  276.879   15.119  298.423   21.456  255.631   21.308  331.158   11.990  306.330   12.872 24.82809 17.59146 
1 1 1   11   14   38 o   88.917   13.243   22.224   5.4336   22.104   11.159   22.262   6.2209   87.499   23.217   90.335   12.744 -2.836807 26.48499 
1 1 1   11   14   39 o   75.740   12.113   16.985   4.8634   12.115   7.8731   19.990   6.1845   65.953   20.195   85.526   13.382 -19.57239 24.22621 
1 1 1   11   14   40 o  151.604   6.8077   62.446   5.4557   62.731   8.6729   62.260   7.0181  151.791   10.574  151.418   8.5774 0.3730774 13.61533 
1 1 1   11   14   41 o   35.802   11.362  -2.4861   4.4069  -3.8452   7.4188  -1.7450   5.4781   37.644   17.028   33.960   15.047 3.683208 22.72424 
1 1 1   11   14   42 o  119.208   8.3309   40.698   5.0908   31.705   8.0199   46.767   6.5883  107.377   13.822  131.038   9.3043 -23.66150 16.66181 
1 1 1   11   14   43 o  258.397   5.6057  181.060   7.7768  185.582   11.743  177.528   10.379  261.181   8.3204  255.613   7.5143 5.568466 11.21131 
1 1 1   11   14   44 o  173.302   8.1239   81.744   7.6077   0.0000   0.0000   81.744   7.6077  ?   ?   173.302   8.1239      ?      ? 
1 1 1   11   14   45 o   96.762   9.5915   26.053   4.8852   25.235   7.7727   26.587   6.2808   95.226   15.105   98.298   11.824 -3.072701 19.18295 
1 1 1   11   14   46 o   78.436   11.363   16.390   4.6925   25.253   7.6461   11.034   5.9434   95.196   14.864   61.677   17.190 33.51867 22.72541 
1 1 1   11   14   47 o   75.137   14.633   16.967   5.9686   15.394   10.285   17.766   7.3291   72.541   23.209   77.734   17.828 -5.193245 29.26584 
1 1 1   11   14   48 o  106.644   13.160   38.130   6.5050   21.372   11.207   46.644   7.9882   83.419   23.732  129.869   11.383 -46.44968 26.32038 
1 1 1   11   14   49 o   49.664   14.308   2.4018   5.8156   8.0833   10.106  -0.4110   7.1109   59.021   22.624   40.306   17.521 18.71415 28.61504 
1 1 1   11   14   50 o  102.533   10.321   31.629   5.2303   23.479   8.1296   37.385   6.8319   88.948   17.537  116.119   10.888 -27.17079 20.64232 
1 1 1   11   14   51 o  114.060   9.1988   38.576   5.3282   27.061   8.1342   47.230   7.0516   97.411   15.453  130.709   9.9838 -33.29726 18.39768 
1 1 1   11   14   52 o   99.421   12.661   27.823   6.8021   0.0000   0.0000   27.823   6.8021  ?   ?    99.421   12.661      ?      ? 
1 1 1   11   14   53 o   82.907   11.646   20.661   5.0206   18.535   7.7929   22.171   6.5645   77.595   18.786   88.219   13.771 -10.62342 23.29291 
1 1 1   11   14   54 o   90.763   11.474   26.323   5.1873   15.758   7.9217   34.254   6.8635   71.080   19.858  110.446   11.500 -39.36635 22.94804 
1 1 1   11   14   55 o  160.799   6.8933   72.112   5.9590   71.401   8.8562   72.700   8.0552  159.813   10.255  161.784   9.2141 -1.971191 13.78661 
1 1 1   11   14   56 o  133.003   8.2774   50.257   5.9089   48.690   8.7906   51.549   7.9808  130.705   12.446  135.302   10.916 -4.596390 16.55486 
1 1 1   11   14   57 o  145.498   7.9333   60.854   6.1310   57.274   9.3948   63.510   8.0915  140.941   12.336  150.056   9.9790 -9.115295 15.86661 
1 1 1   11   14   58 o   32.603   15.672  -9.6272   8.0713  -9.6272   8.0713   0.0000   0.0000   32.603   15.672  ?   ?       ?      ? 
1 1 1   11   14   59 o   93.710   12.132   26.861   5.9856   31.753   8.9125   22.842   8.0785  102.673   16.064   84.747   18.185 17.92598 24.26425 
1 1 1   11   14   60 o  256.666   6.3888  188.033   8.8490  180.961   12.663  194.783   12.371  251.519   9.3167  261.814   8.7444 -10.29504 12.77757 
1 1 1   11   14   61 o  116.007   9.8263   39.880   6.0526   51.237   9.1489   31.040   8.0714  131.292   12.896  100.722   14.830 30.56947 19.65255 
1 1 1   11   15    1 o  321.838   12.201  280.180   21.218   0.0000   0.0000  280.180   21.218  ?   ?   321.838   12.201      ?      ? 
1 1 1   11   15    2 o  340.691   8.9533  313.118   16.429  324.324   24.404  303.829   22.218  346.237   13.043  335.144   12.269 11.09314 17.90665 
1 1 1   11   15    3 o  832.254   14.799  1876.90   66.532  1843.47   92.714  1912.39   95.531  824.634   20.806  839.874   21.050 -15.24017 29.59708 
1 1 1   11   15    4 o  663.561   12.307  1192.46   44.128  1185.81   62.416  1199.10   62.396  661.708   17.456  665.414   17.353 -3.706543 24.61379 
1 1 1   11   15    5 o  881.349   15.587  2105.94   74.204  2132.21  106.666  2081.31  103.294  886.639   22.263  876.059   21.820 10.58038 31.17329 
1 1 1   11   15    6 o  949.503   14.280  2472.52   70.199  2340.09  115.773  2549.52   88.279  928.692   23.070  970.314   16.837 -41.62225 28.56043 
1 1 1   11   15    7 o  1216.06   16.991  4004.85  111.650   0.0000   0.0000  4004.85  111.650  ?   ?   1216.06   16.991      ?      ? 
1 1 1   11   15    8 o  695.055   10.108  1306.20   33.111  1310.14   65.544  1304.85   38.367  695.467   17.441  694.644   10.221 0.8234863 20.21539 
1 1 1   11   15    9 o  185.013   6.3818   92.516   6.3802   0.0000   0.0000   92.516   6.3802  ?   ?   185.013   6.3818      ?      ? 
1 1 1   11   15   10 o  791.453   14.084  1695.34   60.235   0.0000   0.0000  1695.34   60.235  ?   ?   791.453   14.084      ?      ? 
1 1 1   11   15   11 o  553.589   10.756  828.842   32.177   0.0000   0.0000  828.842   32.177  ?   ?   553.589   10.756      ?      ? 
1 1 1   11   15   12 o  341.804   7.6966  315.819   14.216   0.0000   0.0000  315.819   14.216  ?   ?   341.804   7.6966      ?      ? 
1 1 1   11   15   13 o  742.871   9.3738  1492.18   37.629   0.0000   0.0000  1492.18   37.629  ?   ?   742.871   9.3738      ?      ? 
1 1 1   11   15   14 o  519.025   7.1597  728.172   20.080   0.0000   0.0000  728.172   20.080  ?   ?   519.025   7.1597      ?      ? 
1 1 1   11   15   15 o  119.066   14.988   38.383   9.6435   0.0000   0.0000   38.383   9.6435  ?   ?   119.066   14.988      ?      ? 
1 1 1   11   15   16 o  586.342   10.809  929.947   34.249   0.0000   0.0000  929.947   34.249  ?   ?   586.342   10.809      ?      ? 
1 1 1   11   15   17 o  548.399   9.0278  809.557   24.956  826.126   44.338  801.874   30.192  552.317   14.856  544.481   10.262 7.836121 18.05562 
1 1 1   11   15   18 o  315.910   11.409  270.045   19.476  270.045   19.476   0.0000   0.0000  315.910   11.409  ?   ?       ?      ? 
1 1 1   11   15   19 o  200.289   6.6144  108.011   7.1401  115.364   10.574  101.848   9.6805  206.523   9.4751  194.054   9.2318 12.46910 13.22884 
1 1 1   11   15   21 o  890.796   11.029  2148.43   53.058  2100.25   73.558  2200.69   76.604  880.415   15.462  901.177   15.731 -20.76221 22.05724 
1 1 1   11   15   22 o  286.233   8.3165  221.556   12.863   0.0000   0.0000  221.556   12.863  ?   ?   286.233   8.3165      ?      ? 
1 1 1   11   15   23 o  422.658   9.0106  483.191   20.579   0.0000   0.0000  483.191   20.579  ?   ?   422.658   9.0106      ?      ? 
1 1 1   11   15   25 o  541.492   10.433  793.482   30.529   0.0000   0.0000  793.482   30.529  ?   ?   541.492   10.433      ?      ? 
1 1 1   11   15   26 o  469.793   6.7855  597.284   17.225  589.343   24.346  605.243   24.373  466.662   9.6545  472.925   9.5374 -6.262482 13.57103 
1 1 1   11   15   27 o  374.243   8.5619  378.914   17.315   0.0000   0.0000  378.914   17.315  ?   ?   374.243   8.5619      ?      ? 
1 1 1   11   15   29 o  593.861   11.057  955.612   35.482   0.0000   0.0000  955.612   35.482  ?   ?   593.861   11.057      ?      ? 
1 1 1   11   15   30 o  562.107   9.5195  831.427   26.342  796.285   31.052  921.622   49.747  542.081   10.601  582.133   15.815 -40.05219 19.03890 
1 1 1   11   15   31 o  225.653   9.3125  137.678   11.327  130.473   15.371  146.239   16.756  219.235   12.975  232.070   13.362 -12.83514 18.62490 
1 1 1   11   15   32 o  385.537   9.0246  403.670   18.795  415.991   26.631  391.441   26.531  391.425   12.591  379.649   12.933 11.77661 18.04925 
1 1 1   11   15   33 o  298.501   12.518  242.117   20.191   0.0000   0.0000  242.117   20.191  ?   ?   298.501   12.518      ?      ? 
1 1 1   11   15   34 o  242.357   13.313  159.865   17.434   0.0000   0.0000  159.865   17.434  ?   ?   242.357   13.313      ?      ? 
1 1 1   11   15   35 o  107.141   11.834   29.116   6.5328   39.482   11.581   24.279   7.9116  120.007   17.859   94.274   15.530 25.73315 23.66755 
1 1 1   11   15   36 f  336.994   10.344  308.559   18.836   0.0000   0.0000  308.559   18.836  ?   ?   336.994   10.344      ?      ? 
1 1 1   11   15   37 o  307.698   5.7839  257.161   9.6030  242.206   13.618  271.954   13.544  298.749   8.4355  316.647   7.9156 -17.89795 11.56778 
1 1 1   11   15   38 o  374.366   8.2782  380.327   16.746   0.0000   0.0000  380.327   16.746  ?   ?   374.366   8.2782      ?      ? 
1 1 1   11   15   39 o   50.365   13.079   3.2414   4.8181   11.130   8.1489  -0.9986   5.9742   63.966   20.679   36.764   16.019 27.20170 26.15821 
1 1 1   11   15   40 o   97.173   9.8260   25.310   5.0445   28.824   8.2238   23.190   6.3873  102.340   14.871   92.007   12.847 10.33279 19.65196 
1 1 1   11   15   41 o  335.987   7.9682  306.826   14.467   0.0000   0.0000  306.826   14.467  ?   ?   335.987   7.9682      ?      ? 
1 1 1   11   15   42 o  112.915   8.5257   33.414   5.0838   43.311   8.3101   27.495   6.4268  125.663   12.238  100.168   11.873 25.49476 17.05136 
1 1 1   11   15   43 o   82.725   11.115   19.501   4.7115   18.704   7.6226   19.993   5.9936   80.245   18.020   85.206   13.018 -4.960243 22.23004 
1 1 1   11   15   44 o  186.231   7.8772   90.532   6.9684  105.338   14.075   85.724   8.0204  195.160   13.346  177.302   8.3713 17.85818 15.75442 
1 1 1   11   15   45 o  339.586   7.8919  318.549   14.401  299.775   21.104  334.910   19.701  329.807   11.842  349.366   10.436 -19.55969 15.78372 
1 1 1   11   15   46 o  104.430   11.710   27.945   6.1506   38.874   11.557   23.626   7.2650  116.891   18.297   91.968   14.619 24.92244 23.41948 
1 1 1   11   15   47 o   81.650   12.750   19.912   5.4370   18.326   8.2976   21.106   7.1974   78.186   19.660   85.115   16.241 -6.928688 25.50086 
1 1 1   11   15   48 o   59.203   12.424   10.405   4.8318   1.9087   7.8155   15.661   6.1475   45.374   18.995   73.033   16.018 -27.65869 24.84744 
1 1 1   11   15   49 o  222.398   5.9814  135.564   7.1431  137.355   10.748  134.148   9.5595  223.527   8.8986  221.268   7.9952 2.258453 11.96279 
1 1 1   11   15   50 o   49.274   12.946   4.2952   4.8017   10.511   7.5562   0.0850   6.2188   60.241   19.938   38.306   16.517 21.93476 25.89117 
1 1 1   11   15   51 o   59.863   13.570   10.561   4.9285   10.849   7.6067   10.353   6.4703   60.677   20.001   59.050   18.345 1.627567 27.14019 
1 1 1   11   15   52 o   68.783   13.061   15.045   5.0863   10.310   8.0440   18.199   6.5654   59.532   20.567   78.035   16.104 -18.50329 26.12164 
1 1 1   11   15   53 o  135.131   7.9180   49.641   5.6724   59.376   9.1750   43.618   7.2169  145.315   11.684  124.948   10.689 20.36732 15.83600 
1 1 1   11   15   54 o  180.761   6.5867   90.413   6.3655   93.138   9.7945   88.421   8.3756  182.781   9.9166  178.742   8.6717 4.039322 13.17336 
1 1 1   11   15   55 o  197.311   6.4835  108.222   6.8849  109.159   10.220  107.443   9.3165  197.847   9.5590  196.776   8.7618 1.070847 12.96706 
1 1 1   11   15   56 o   38.271   12.344  -3.8778   5.6087   1.0643   8.7573  -7.3149   7.3031   44.298   19.346   32.244   15.337 12.05441 24.68769 
1 1 1   11   15   57 o   38.161   12.237  -2.8849   5.5812  -6.8952   8.2620   0.4812   7.5694   35.191   16.611   41.131   17.974 -5.939785 24.47441 
1 1 1   11   15   58 o  131.758   9.3553   50.208   6.6352   52.350   9.8969   48.460   8.9426  133.994   13.669  129.521   12.777 4.472443 18.71066 
1 1 1   11   15   59 o  156.290   7.9099   71.600   6.6719   70.211   9.6073   72.893   9.2725  154.470   11.510  158.111   10.853 -3.641251 15.81971 
1 1 1   11   15   60 o   58.866   13.090   8.8822   5.6871   21.810   8.4824  -1.6750   7.6652   79.933   19.752   37.799   17.182 42.13359 26.17970 
1 1 1   11   15   61 o   54.267   14.482   10.074   5.7806   12.576   8.7482   8.1353   7.7015   58.249   21.306   50.285   19.620 7.964119 28.96420 
1 1 1   11   16    0 o  348.381   5.9167  327.892   11.132  334.175   16.082  322.112   15.424  351.580   8.4648  345.181   8.2690 6.399048 11.83342 
1 1 1   11   16    1 o  474.978   6.7633  610.000   17.358  612.243   24.689  607.808   24.410  475.839   9.6017  474.116   9.5277 1.723541 13.52666 
1 1 1   11   16    2 o  134.227   7.6225   48.518   5.4903   57.113   8.0396   41.008   7.5158  145.325   10.238  123.130   11.296 22.19530 15.24503 
1 1 1   11   16    3 o  510.354   7.1110  703.482   19.597  681.951   27.097  727.094   28.376  502.180   9.9854  518.529   10.127 -16.34848 14.22206 
1 1 1   11   16    4 o  533.291   7.3182  768.130   21.064  788.328   30.690  750.139   28.963  539.902   10.519  526.679   10.177 13.22333 14.63638 
1 1 1   11   16    5 o  471.749   9.7768  601.786   24.923  601.786   24.923   0.0000   0.0000  471.749   9.7768  ?   ?       ?      ? 
1 1 1   11   16    6 o  989.821   15.063  2609.53   74.023  2538.88   88.092  2779.28  136.543  968.174   16.838  1011.47   24.982 -43.29468 30.12688 
1 1 1   11   16    7 o  872.576   15.357  2061.41   72.410   0.0000   0.0000  2061.41   72.410  ?   ?   872.576   15.357      ?      ? 
1 1 1   11   16    8 o  597.244   11.340  964.837   36.598   0.0000   0.0000  964.837   36.598  ?   ?   597.244   11.340      ?      ? 
1 1 1   11   16    9 o  976.486   17.045  2582.90   89.937   0.0000   0.0000  2582.90   89.937  ?   ?   976.486   17.045      ?      ? 
1 1 1   11   16   10 o  232.326   8.8802  145.935   11.148   0.0000   0.0000  145.935   11.148  ?   ?   232.326   8.8802      ?      ? 
1 1 1   11   16   13 o  254.912   8.6938  175.699   11.975   0.0000   0.0000  175.699   11.975  ?   ?   254.912   8.6938      ?      ? 
1 1 1   11   16   14 o  289.448   7.8632  226.510   12.299   0.0000   0.0000  226.510   12.299  ?   ?   289.448   7.8632      ?      ? 
1 1 1   11   16   15 o  332.485   7.0236  298.847   12.619   0.0000   0.0000  298.847   12.619  ?   ?   332.485   7.0236      ?      ? 
1 1 1   11   16   16 o  402.878   8.6513  438.932   18.834   0.0000   0.0000  438.932   18.834  ?   ?   402.878   8.6513      ?      ? 
1 1 1   11   16   17 f  1222.84   18.145  4080.58  113.284  4047.30  194.787  4097.59  139.256  1217.46   29.608  1228.23   20.982 -10.76294 36.28926 
1 1 1   11   16   18 o  534.190   8.5166  761.898   20.877  792.117   43.375  752.786   23.818  540.753   14.844  527.627   8.3539 13.12561 17.03319 
1 1 1   11   16   19 o  702.785   9.0706  1332.52   34.356  1277.34   46.588  1398.30   50.867  686.922   12.551  718.648   13.099 -31.72620 18.14121 
1 1 1   11   16   20 o  164.009   11.884   72.813   10.532   0.0000   0.0000   72.813   10.532  ?   ?   164.009   11.884      ?      ? 
1 1 1   11   16   21 o  783.011   19.894  1665.54   84.173   0.0000   0.0000  1665.54   84.173  ?   ?   783.011   19.894      ?      ? 
1 1 1   11   16   22 o  896.741   22.377  2187.61  108.433   0.0000   0.0000  2187.61  108.433  ?   ?   896.741   22.377      ?      ? 
1 1 1   11   16   23 o  427.569   13.440  495.270   31.051   0.0000   0.0000  495.270   31.051  ?   ?   427.569   13.440      ?      ? 
1 1 1   11   16   24 f  276.757   7.7901  207.786   11.034  208.645   13.592  206.126   18.894  277.692   9.0580  275.822   12.677 1.870575 15.58019 
1 1 1   11   16   25 o   71.177   17.893   11.788   8.6179   10.295   11.568   13.649   12.918   67.626   24.537   74.728   26.050 -7.102859 35.78626 
1 1 1   11   16   26 o  549.871   10.721  820.430   31.851  816.892   44.640  824.099   45.460  548.680   15.056  551.062   15.267 -2.381897 21.44206 
1 1 1   11   16   27 o  467.839   9.7917  591.259   24.672  562.838   33.288  625.901   36.751  455.467   13.525  480.210   14.163 -24.74268 19.58336 
1 1 1   11   16   28 o  219.667   9.5065  130.476   11.253  124.505   15.240  137.635   16.687  214.183   13.167  225.152   13.715 -10.96825 19.01292 
1 1 1   11   16   29 o  571.514   11.018  888.072   34.015  877.252   47.411  899.549   48.829  567.960   15.448  575.068   15.714 -7.107849 22.03530 
1 1 1   11   16   30 o  357.049   8.8703  345.024   17.065  333.333   23.123  359.009   25.290  350.470   12.210  363.628   12.871 -13.15826 17.74060 
1 1 1   11   16   31 o  483.976   9.9591  636.831   26.039  655.180   37.290  619.369   36.376  490.782   14.061  477.171   14.108 13.61172 19.91817 
1 1 1   11   16   32 o  672.444   10.717  1230.72   36.465  1238.74   64.049  1226.88   44.355  673.002   17.612  671.885   12.217 1.116638 21.43446 
1 1 1   11   16   33 o  248.025   8.0839  166.682   10.834   0.0000   0.0000  166.682   10.834  ?   ?   248.025   8.0839      ?      ? 
1 1 1   11   16   34 o  293.736   7.6189  247.055   11.107  199.887   18.977  271.632   13.698  270.891   12.964  316.581   8.0075 -45.68976 15.23771 
1 1 1   11   16   35 o  241.673   8.0584  158.384   10.524   0.0000   0.0000  158.384   10.524  ?   ?   241.673   8.0584      ?      ? 
1 1 1   11   16   36 o  254.539   6.6213  175.356   9.0729  168.713   12.221  183.514   13.542  249.232   9.0743  259.846   9.6448 -10.61403 13.24261 
1 1 1   11   16   37 o  165.400   9.0699   74.314   8.1064   0.0000   0.0000   74.314   8.1064  ?   ?   165.400   9.0699      ?      ? 
1 1 1   11   16   38 o  159.734   10.950   69.560   9.4516   69.560   9.4516   0.0000   0.0000  159.734   10.950  ?   ?       ?      ? 
1 1 1   11   16   39 o  117.441   8.5683   36.733   5.2652   41.746   8.8197   33.957   6.5630  123.356   13.231  111.527   10.890 11.82913 17.13666 
1 1 1   11   16   40 o  137.209   7.9932   54.326   5.5853   40.383   8.7606   63.876   7.2499  121.221   13.374  153.197   8.7578 -31.97585 15.98647 
1 1 1   11   16   41 o  149.455   9.9169   66.354   6.5616   52.995   13.284   70.665   7.5465  137.810   17.839  161.100   8.6688 -23.29079 19.83380 
1 1 1   11   16   42 o  155.684   9.3884   68.832   7.1491   61.959   12.914   71.869   8.5845  149.188   16.019  162.179   9.7957 -12.99016 18.77679 
1 1 1   11   16   43 o  185.689   8.5887   94.902   7.9395   95.293   14.340   94.730   9.5341  185.255   14.325  186.122   9.4797 -0.8663940 17.17741 
1 1 1   11   16   44 o  121.340   12.796   62.352   7.4827   2.2196   12.609   95.045   9.2969   56.268   23.871  186.413   9.2294 -130.1444 25.59294 
1 1 1   11   16   45 o  113.925   9.1881   37.123   5.4001   31.714   8.6612   40.563   6.9070  106.406   15.064  121.445   10.525 -15.03919 18.37618 
1 1 1   11   16   46 o   96.671   10.757   27.150   5.2684   24.629   8.4252   28.769   6.7510   91.553   17.670  101.788   12.274 -10.23550 21.51489 
1 1 1   11   16   47 o   66.954   13.670   13.098   5.1042   14.562   8.3206   12.215   6.4631   69.697   20.635   64.211   17.936 5.486504 27.34072 
1 1 1   11   16   48 o  111.902   9.2904   35.689   5.4674   32.219   8.5157   38.123   7.1314  106.652   14.776  117.151   11.265 -10.49935 18.58072 
1 1 1   11   16   49 o   52.866   13.757   6.9830   5.0304   7.4004   8.3422   6.7445   6.3058   54.939   20.673   50.793   18.155 4.145897 27.51358 
1 1 1   11   16   50 o  116.339   9.6047   40.495   5.6603   28.085   8.6233   49.890   7.5029   98.650   16.177  134.027   10.360 -35.37679 19.20949 
1 1 1   11   16   51 o  207.933   6.3596  121.367   7.0210  105.759   10.493  134.018   9.4471  195.113   9.9528  220.753   7.9196 -25.64000 12.71923 
1 1 1   11   16   52 o  295.403   5.9332  240.732   9.4454  240.579   13.869  240.864   12.899  295.089   8.6979  295.717   8.0722 -0.6278992 11.86648 
1 1 1   11   16   53 o   40.394   12.496  -0.2994   5.2356  -3.8447   8.3391   2.0073   6.7265   38.746   17.731   42.041   17.613 -3.295212 24.99166 
1 1 1   11   16   54 o   58.672   14.300   10.263   5.4616   11.305   8.2845   9.4623   7.2636   60.826   20.880   56.517   19.543 4.308689 28.59929 
1 1 1   11   16   55 o   36.168   11.814  -6.4662   5.4785   1.1345   8.4277 -12.0285   7.2095   43.775   19.051   28.561   13.975 15.21390 23.62721 
1 1 1   11   16   56 o  192.646   7.0866  104.553   7.3253  104.638   11.020  104.485   9.8055  192.240   10.608  193.051   9.3996 -0.8110199 14.17325 
1 1 1   11   16   57 o   57.708   14.292   9.6162   5.9497   3.3419   8.6412   15.272   8.2042   47.135   19.866   68.280   20.553 -21.14478 28.58438 
1 1 1   11   16   58 o   96.437   12.708   30.939   6.4063   28.082   9.4973   33.323   8.6778   89.710   20.091  103.164   15.566 -13.45461 25.41597 
1 1 1   11   16   59 o  116.334   10.214   41.694   6.2106   31.480   8.9332   51.250   8.6403  100.391   16.467  132.277   12.088 -31.88577 20.42772 
1 1 1   11   16   60 o   46.536   13.016   1.4871   5.8886   14.448   8.5392 -10.2654   8.1312   62.051   21.201   31.021   15.104 31.03023 26.03114 
1 1 1   11   17    0 o  255.440   6.0831  176.210   8.3909  171.111   11.608  181.787   12.142  251.576   8.5392  259.303   8.6658 -7.726791 12.16613 
1 1 1   11   17    1 o  661.965   8.6192  1183.31   30.796  1141.33   42.331  1230.52   44.885  649.524   12.061  674.406   12.317 -24.88135 17.23846 
1 1 1   11   17    2 o  365.788   6.2073  360.695   12.251  340.065   16.802  384.116   17.903  354.652   8.7673  376.923   8.7897 -22.27057 12.41469 
1 1 1   11   17    5 o  568.696   7.7538  874.662   23.826  862.697   33.480  886.940   33.915  564.755   10.971  572.636   10.960 -7.880798 15.50754 
1 1 1   11   17    6 o  221.061   6.4253  132.883   7.0266  130.270   12.788  134.014   8.4098  219.461   10.783  222.662   6.9896 -3.201004 12.85059 
1 1 1   11   17    7 o  507.018   8.0161  689.989   19.284  706.757   37.983  684.166   22.384  510.987   13.756  503.049   8.2345 7.938934 16.03212 
1 1 1   11   17    9 o  612.488   11.619  1014.99   38.454   0.0000   0.0000  1014.99   38.454  ?   ?   612.488   11.619      ?      ? 
1 1 1   11   17   10 o  581.913   11.403  916.198   35.857   0.0000   0.0000  916.198   35.857  ?   ?   581.913   11.403      ?      ? 
1 1 1   11   17   11 f  168.123   9.8532   76.454   8.9514   0.0000   0.0000   76.454   8.9514  ?   ?   168.123   9.8532      ?      ? 
1 1 1   11   17   12 o  794.555   10.042  1707.78   43.113   0.0000   0.0000  1707.78   43.113  ?   ?   794.555   10.042      ?      ? 
1 1 1   11   17   13 o  804.294   11.784  1750.74   51.214   0.0000   0.0000  1750.74   51.214  ?   ?   804.294   11.784      ?      ? 
1 1 1   11   17   18 o  559.508   10.845  848.540   32.787  849.549   46.286  847.523   46.450  559.846   15.300  559.169   15.373 0.6768188 21.68914 
1 1 1   11   17   19 o  658.717   12.211  1176.19   43.436  1152.93   60.133  1201.58   62.811  651.942   17.069  665.492   17.466 -13.55035 24.42200 
1 1 1   11   17   20 o  686.026   12.615  1275.60   46.722  1316.44   67.836  1238.74   64.444  696.427   18.026  675.625   17.652 20.80237 25.22947 
1 1 1   11   17   21 o  619.924   11.683  1042.79   39.130  1037.39   54.758  1048.42   55.937  618.306   16.389  621.542   16.655 -3.236389 23.36627 
1 1 1   11   17   22 o  729.193   13.263  1445.03   52.247  1473.87   74.966  1417.79   72.856  736.244   18.843  722.143   18.671 14.10114 26.52649 
1 1 1   11   17   23 o  751.811   13.598  1536.84   55.227  1518.69   76.988  1556.08   79.268  747.282   19.065  756.339   19.395 -9.056396 27.19678 
1 1 1   11   17   24 o  496.426   10.124  667.206   27.120  645.270   37.191  692.117   39.632  487.757   14.110  505.095   14.521 -17.33801 20.24735 
1 1 1   11   17   25 o  381.036   7.7301  388.706   14.860  406.306   26.506  380.638   17.945  387.070   12.673  375.001   8.8556 12.06921 15.46030 
1 1 1   11   17   26 o  383.599   7.7191  385.011   14.693  433.559   27.460  365.535   17.393  399.745   12.713  367.453   8.7594 32.29147 15.43822 
1 1 1   11   17   27 o  146.958   8.8513   59.064   6.9727   52.938   10.146   64.546   9.5982  139.633   13.447  154.284   11.513 -14.65118 17.70254 
1 1 1   11   17   28 o  559.919   10.727  849.914   32.456   0.0000   0.0000  849.914   32.456  ?   ?   559.919   10.727      ?      ? 
1 1 1   11   17   29 o  170.417   7.7900   79.095   7.1210   75.930   10.614   81.685   9.6031  167.258   11.744  173.576   10.238 -6.318405 15.58000 
1 1 1   11   17   31 f  456.626   6.7757  565.403   16.715  549.746   23.446  581.588   23.838  450.189   9.6378  463.064   9.5265 -12.87521 13.55146 
1 1 1   11   17   32 o  108.460   10.387   31.580   6.0116   35.370   9.4456   28.999   7.7938  113.790   15.362  103.129   13.986 10.66097 20.77440 
1 1 1   11   17   33 o  479.435   9.5924  624.073   24.851   0.0000   0.0000  624.073   24.851  ?   ?   479.435   9.5924      ?      ? 
1 1 1   11   17   34 o  185.818   7.0760   94.566   7.0191   88.812   10.598   99.062   9.3680  180.644   10.858  190.993   9.0770 -10.34874 14.15195 
1 1 1   11   17   35 o  213.232   8.4205  128.323   8.4840  114.797   16.204  133.431   9.9580  204.725   14.648  221.738   8.3108 -17.01280 16.84100 
1 1 1   11   17   36 o  130.771   9.2968   47.445   6.4577   38.396   9.2851   55.923   8.9874  118.344   14.519  143.197   11.615 -24.85333 18.59352 
1 1 1   11   17   37 o  132.712   8.9637   47.629   6.3844   56.003   9.6013   40.991   8.5480  143.079   12.418  122.345   12.930 20.73365 17.92749 
1 1 1   11   17   38 o  374.332   7.7624  398.026   14.859  328.829   24.077  440.597   18.885  346.234   12.869  402.429   8.6843 -56.19479 15.52486 
1 1 1   11   17   39 o   85.335   15.382   23.287   6.7726   12.714   14.247   26.374   7.6980   72.885   27.097   97.785   14.569 -24.89967 30.76495 
1 1 1   11   17   40 o  150.409   10.571   64.690   7.4928   58.108   14.340   67.162   8.7878  144.056   18.421  156.763   10.374 -12.70663 21.14168 
1 1 1   11   17   41 o  103.804   14.222   29.712   6.7882   34.099   13.884   28.333   7.7817  106.478   24.622  101.130   14.240 5.347511 28.44308 
1 1 1   11   17   42 o  214.887   6.6614  126.056   7.7280  132.376   11.213  120.338   10.666  220.005   9.4321  209.769   9.4093 10.23578 13.32285 
1 1 1   11   17   43 o  200.595   6.1668  109.462   6.5682  112.491   10.355  107.422   8.4961  202.712   9.4534  198.478   7.9217 4.233826 12.33368 
1 1 1   11   17   44 f  100.969   9.9853   27.244   5.3068   34.154   8.8133   23.314   6.6468  110.425   14.770   91.513   13.441 18.91272 19.97061 
1 1 1   11   17   45 o  451.116   9.3158  558.703   22.709   0.0000   0.0000  558.703   22.709  ?   ?   451.116   9.3158      ?      ? 
1 1 1   11   17   46 f   91.381   12.084   26.113   5.4562   18.516   8.9904   30.542   6.8651   77.994   20.906  104.769   12.126 -26.77498 24.16838 
1 1 1   11   17   47 o  146.824   7.6773   59.629   5.9300   60.407   9.5615   59.143   7.5595  147.176   12.023  146.473   9.5510 0.7038269 15.35467 
1 1 1   11   17   48 o  112.373   9.2691   34.216   5.4731   41.120   9.1198   30.330   6.8423  120.601   13.994  104.145   12.158 16.45584 18.53818 
1 1 1   11   17   49 o  430.449   9.1296  511.587   21.235   0.0000   0.0000  511.587   21.235  ?   ?   430.449   9.1296      ?      ? 
1 1 1   11   17   50 o  168.296   7.2210   80.396   6.3911   70.357   9.8524   87.689   8.3978  158.378   11.512  178.214   8.7203 -19.83586 14.44209 
1 1 1   11   17   51 o  272.274   6.0565  205.115   8.8612  199.995   13.146  209.379   11.996  268.814   9.0500  275.734   8.0513 -6.919464 12.11302 
1 1 1   11   17   52 o   38.030   12.147  -2.4506   5.3014  -6.1266   8.6645  -0.2511   6.7024   37.420   17.453   38.641   16.899 -1.221146 24.29383 
1 1 1   11   17   53 o  143.071   8.2321   56.767   6.2872   65.771   9.8753   50.629   8.1531  152.211   12.006  133.932   11.266 18.27905 16.46413 
1 1 1   11   17   54 o   40.036   12.540  -2.6217   5.5150   4.4131   8.5031  -7.7298   7.2458   48.312   19.984   31.760   15.153 16.55220 25.07938 
1 1 1   11   17   55 o  214.621   6.5875  129.652   7.6000  118.288   10.944  140.235   10.562  205.020   9.8788  224.223   8.7173 -19.20328 13.17506 
1 1 1   11   17   56 o   83.372   14.047   22.907   6.2689   19.148   9.3789   25.943   8.4282   75.610   21.774   91.134   17.753 -15.52357 28.09369 
1 1 1   11   17   57 o   47.111   13.855   5.2106   5.8825   3.0187   8.8406   6.9521   7.8802   44.911   19.529   49.311   19.658 -4.400425 27.70949 
1 1 1   11   17   58 o   94.563   12.686   29.023   6.2152   30.134   9.3202   28.132   8.3405   95.509   18.728   93.617   17.118 1.891647 25.37271 
1 1 1   11   17   59 o  129.361   9.5385   52.105   6.4781   41.594   9.4821   61.305   8.8712  114.724   15.295  143.998   11.401 -29.27380 19.07700 
1 1 1   11   18    0 o  193.264   6.9821  100.702   7.2778  109.642   10.609   92.754   10.003  201.344   9.7508  185.184   9.9960 16.15936 13.96419 
1 1 1   11   18    1 o  413.727   6.6170  462.921   14.789  462.504   21.167  463.318   20.671  413.540   9.4722  413.913   9.2421 -0.3731995 13.23402 
1 1 1   11   18    2 o  666.725   8.7360  1203.07   31.472  1198.75   44.667  1207.32   44.352  665.532   12.420  667.918   12.289 -2.386230 17.47202 
1 1 1   11   18    3 o  711.357   9.1858  1369.30   35.303  1345.54   49.328  1394.24   50.546  705.039   12.948  717.676   13.034 -12.63678 18.37169 
1 1 1   11   18    4 o  277.283   6.3169  208.001   9.4613  203.801   13.475  212.085   13.288  274.517   9.0839  280.049   8.7805 -5.532104 12.63390 
1 1 1   11   18    5 f  519.012   7.3883  728.730   20.718  728.742   29.543  728.718   29.062  519.011   10.534  519.013   10.362 -0.2502441E-02 14.77653 
1 1 1   11   18    6 o  639.874   10.109  1108.09   32.980  1111.49   57.065  1106.39   40.413  640.352   16.492  639.396   11.697 0.9550781 20.21857 
1 1 1   11   18    7 o  784.381   11.465  1664.96   48.597   0.0000   0.0000  1664.96   48.597  ?   ?   784.381   11.465      ?      ? 
1 1 1   11   18    8 o   74.255   22.732   15.004   9.9760   0.0000   0.0000   15.004   9.9760  ?   ?    74.255   22.732      ?      ? 
1 1 1   11   18    9 o  339.859   6.3130  312.223   11.594   0.0000   0.0000  312.223   11.594  ?   ?   339.859   6.3130      ?      ? 
1 1 1   11   18   10 o  440.935   10.175  525.947   24.243   0.0000   0.0000  525.947   24.243  ?   ?   440.935   10.175      ?      ? 
1 1 1   11   18   11 f  311.875   8.3732  263.016   14.111   0.0000   0.0000  263.016   14.111  ?   ?   311.875   8.3732      ?      ? 
1 1 1   11   18   12 o  333.890   6.4699  301.360   11.673   0.0000   0.0000  301.360   11.673  ?   ?   333.890   6.4699      ?      ? 
1 1 1   11   18   13 o  109.924   12.037   32.708   7.1499   0.0000   0.0000   32.708   7.1499  ?   ?   109.924   12.037      ?      ? 
1 1 1   11   18   14 o  726.102   9.4008  1426.18   36.885   0.0000   0.0000  1426.18   36.885  ?   ?   726.102   9.4008      ?      ? 
1 1 1   11   18   15 o  350.174   10.175  331.776   19.253   0.0000   0.0000  331.776   19.253  ?   ?   350.174   10.175      ?      ? 
1 1 1   11   18   16 o  614.568   9.7313  1021.79   32.317   0.0000   0.0000  1021.79   32.317  ?   ?   614.568   9.7313      ?      ? 
1 1 1   11   18   17 o  208.843   7.4182  117.934   8.3716   0.0000   0.0000  117.934   8.3716  ?   ?   208.843   7.4182      ?      ? 
1 1 1   11   18   18 o  291.801   7.1942  239.604   9.8981  211.464   18.925  250.201   11.613  279.414   12.534  304.189   7.0651 -24.77472 14.38845 
1 1 1   11   18   19 o  808.783   12.556  1757.07   50.829  1830.63   91.914  1724.67   61.007  820.021   20.743  797.545   14.156 22.47601 25.11279 
1 1 1   11   18   20 o  361.942   7.8502  352.363   14.442  361.712   25.284  347.836   17.595  365.348   12.807  358.537   9.0817 6.811401 15.70033 
1 1 1   11   18   23 o  308.035   6.3667  256.556   10.583  262.694   15.444  251.123   14.531  311.492   9.1753  304.578   8.8292 6.914215 12.73350 
1 1 1   11   18   24 o  582.026   11.098  918.229   34.903   0.0000   0.0000  918.229   34.903  ?   ?   582.026   11.098      ?      ? 
1 1 1   11   18   25 o  154.787   8.6691   65.211   7.2202   62.299   10.565   67.762   9.8899  151.500   12.906  158.074   11.578 -6.574081 17.33818 
1 1 1   11   18   26 o  242.986   8.9620  159.903   11.767   0.0000   0.0000  159.903   11.767  ?   ?   242.986   8.9620      ?      ? 
1 1 1   11   18   27 o  583.224   11.078  922.797   34.913   0.0000   0.0000  922.797   34.913  ?   ?   583.224   11.078      ?      ? 
1 1 1   11   18   28 o   81.194   14.601   18.850   6.4305   17.251   9.3310   20.296   8.8744   78.004   21.463   84.383   19.803 -6.379066 29.20292 
1 1 1   11   18   29 f  330.054   6.2005  295.522   11.048  281.878   15.673  308.998   15.576  322.448   8.9951  337.661   8.5365 -15.21286 12.40093 
1 1 1   11   18   30 o  240.413   6.4355  157.371   8.3259  147.473   12.081  166.324   11.490  233.135   9.5896  247.691   8.5850 -14.55659 12.87100 
1 1 1   11   18   31 o  264.113   8.3588  189.149   11.929   0.0000   0.0000  189.149   11.929  ?   ?   264.113   8.3588      ?      ? 
1 1 1   11   18   32 o  166.203   7.6893   76.057   6.7941   69.341   10.307   81.218   9.0351  159.515   11.957  172.891   9.6710 -13.37636 15.37868 
1 1 1   11   18   33 o  243.392   6.2755  160.627   8.2174  163.337   12.251  158.411   11.079  245.203   9.2464  241.581   8.4871 3.621841 12.55094 
1 1 1   11   18   34 o  146.818   8.2140   59.652   6.3687   53.984   9.8414   63.736   8.3538  140.566   12.957  153.069   10.100 -12.50299 16.42791 
1 1 1   11   18   35 o  137.246   12.708   56.776   7.4108   45.721   15.128   60.267   8.5007  125.775   23.110  148.717   10.578 -22.94139 25.41553 
1 1 1   11   18   36 o  158.664   10.952   68.700   8.5051   71.261   15.941   67.680   10.056  160.024   18.435  157.303   11.830 2.720779 21.90465 
1 1 1   11   18   37 o   70.918   15.754   15.101   7.0359   2.8649   13.838   19.367   8.1709   60.102   25.225   81.733   18.881 -21.63037 31.50828 
1 1 1   11   18   38 o   81.493   13.817   23.635   7.1438  -5.1464   14.292   33.221   8.2481   53.178   23.883  109.808   13.901 -56.62994 27.63362 
1 1 1   11   18   39 o  155.605   8.2615   66.501   6.9140   58.486   9.6691   74.887   9.8903  145.880   12.266  165.331   11.071 -19.45154 16.52307 
1 1 1   11   18   40 o  252.888   7.8365  174.189   10.709   0.0000   0.0000  174.189   10.709  ?   ?   252.888   7.8365      ?      ? 
1 1 1   11   18   41 o  146.056   7.9236   60.255   5.9830   52.467   9.6276   65.154   7.6366  137.734   12.936  154.378   9.1543 -16.64423 15.84712 
1 1 1   11   18   42 o   95.342   11.489   26.986   5.4502   22.296   8.8748   29.826   6.9059   86.818   19.405  103.866   12.304 -17.04765 22.97730 
1 1 1   11   18   43 o   63.279   14.043   10.324   5.3499   17.032   8.8478   6.4573   6.7170   75.292   20.970   51.266   18.682 24.02597 28.08508 
1 1 1   11   18   44 o   39.440   12.165  -1.0603   5.0152  -6.7238   8.3141   2.1792   6.2881   36.763   17.130   42.117   17.278 -5.354733 24.33019 
1 1 1   11   18   45 o  356.875   8.3172  349.141   16.039   0.0000   0.0000  349.141   16.039  ?   ?   356.875   8.3172      ?      ? 
1 1 1   11   18   46 o   84.885   12.390   22.905   5.3706   15.218   8.8131   27.446   6.7735   70.741   21.304   99.029   12.658 -28.28843 24.78057 
1 1 1   11   18   47 o  113.201   9.3291   36.162   5.5645   35.740   8.8670   36.436   7.1469  112.125   14.635  114.278   11.574 -2.152855 18.65814 
1 1 1   11   18   48 o  187.650   6.7023   97.823   6.6892   95.013   10.330   99.852   8.7784  184.902   10.338  190.398   8.5323 -5.495682 13.40459 
1 1 1   11   18   49 o  113.969   9.6208   37.129   5.7480   36.382   9.2503   37.599   7.3363  112.283   15.246  115.656   11.739 -3.372513 19.24155 
1 1 1   11   18   50 o  125.381   9.5454   47.361   6.0138   35.313   9.6279   55.070   7.7009  110.123   16.180  140.638   10.133 -30.51558 19.09084 
1 1 1   11   18   51 o  215.979   8.4312  129.022   9.8399   0.0000   0.0000  129.022   9.8399  ?   ?   215.979   8.4312      ?      ? 
1 1 1   11   18   52 o  134.816   8.3634   51.552   6.0333   51.415   9.1725   51.656   8.0098  134.201   12.649  135.430   10.945 -1.229691 16.72673 
1 1 1   11   18   53 o   52.172   14.248   7.0487   5.6563   9.1863   8.6843   5.4737   7.4543   56.065   21.094   48.279   19.160 7.786263 28.49617 
1 1 1   11   18   54 o  152.440   8.1851   65.493   6.6740   72.272   10.361   60.687   8.7250  158.730   12.080  146.149   11.048 12.58124 16.37019 
1 1 1   11   18   55 o   63.213   14.694   11.987   6.0016   18.679   9.1831   6.9970   7.9294   74.739   21.552   51.688   19.980 23.05135 29.38853 
1 1 1   11   18   56 o   99.069   12.049   31.896   6.2287   30.709   9.3595   32.839   8.3451   95.250   18.852  102.888   15.010 -7.637901 24.09743 
1 1 1   11   18   57 o   41.166   12.997   0.0631   5.8673   0.6460   8.7051  -0.4222   7.9425   42.516   18.897   39.816   17.848 2.700569 25.99331 
1 1 1   11   18   58 f   61.501   14.432   12.996   5.9924   20.927   8.9410   6.5291   8.0741   74.917   21.156   48.086   19.635 26.83067 28.86394 
1 1 1   11   19    0 o  834.138   10.540  1882.11   47.456  1828.66   65.306  1941.92   69.079  821.637   14.709  846.639   15.099 -25.00189 21.07962 
1 1 1   11   19    1 o  562.481   7.8785  855.774   23.941  869.601   34.318  842.665   33.415  566.901   11.203  558.062   11.081 8.839966 15.75701 
1 1 1   11   19    5 o  683.867   12.712  575.513   22.628  2376.13  118.382  507.228   23.054  934.704   23.438  433.031   9.8521 501.6725 25.42461 
1 1 1   11   19    6 o  405.999   9.3018  207.471   12.931  892.793   47.750  153.239   13.433  574.005   15.395  237.993   10.445 336.0117 18.60360 
1 1 1   11   19    7 o  649.182   12.318  1140.84   43.211   0.0000   0.0000  1140.84   43.211  ?   ?   649.182   12.318      ?      ? 
1 1 1   11   19    8 o  729.589   13.684  1441.72   53.949   0.0000   0.0000  1441.72   53.949  ?   ?   729.589   13.684      ?      ? 
1 1 1   11   19    9 o  657.432   10.078  1169.38   35.801   0.0000   0.0000  1169.38   35.801  ?   ?   657.432   10.078      ?      ? 
1 1 1   11   19   10 o  471.822   10.757  602.426   27.425   0.0000   0.0000  602.426   27.425  ?   ?   471.822   10.757      ?      ? 
1 1 1   11   19   11 o  552.940   7.8852  826.769   23.560   0.0000   0.0000  826.769   23.560  ?   ?   552.940   7.8852      ?      ? 
1 1 1   11   19   12 o  883.820   11.103  2114.07   53.028   0.0000   0.0000  2114.07   53.028  ?   ?   883.820   11.103      ?      ? 
1 1 1   11   19   13 o  474.402   7.2482  608.518   18.581   0.0000   0.0000  608.518   18.581  ?   ?   474.402   7.2482      ?      ? 
1 1 1   11   19   14 o  257.708   11.509  179.800   16.027   0.0000   0.0000  179.800   16.027  ?   ?   257.708   11.509      ?      ? 
1 1 1   11   19   15 o  473.128   7.1851  605.333   18.370   0.0000   0.0000  605.333   18.370  ?   ?   473.128   7.1851      ?      ? 
1 1 1   11   19   16 o  169.953   15.414   78.374   14.156   0.0000   0.0000   78.374   14.156  ?   ?   169.953   15.414      ?      ? 
1 1 1   11   19   17 o  399.918   6.7746  432.474   14.640   0.0000   0.0000  432.474   14.640  ?   ?   399.918   6.7746      ?      ? 
1 1 1   11   19   18 o  967.487   16.864  2542.38   88.162   0.0000   0.0000  2542.38   88.162  ?   ?   967.487   16.864      ?      ? 
1 1 1   11   19   19 o  656.104   10.023  1147.06   29.997  1206.98   63.012  1129.50   34.110  666.275   17.502  645.932   9.7725 20.34277 20.04523 
1 1 1   11   19   20 o  292.904   7.2645  234.804   9.8307  227.703   19.872  237.105   11.312  289.747   12.692  296.061   7.0707 -6.314728 14.52896 
1 1 1   11   19   22 o  290.825   6.5519  228.960   10.289  231.326   14.864  226.783   14.257  292.256   9.4120  289.394   9.1171 2.862427 13.10375 
1 1 1   11   19   23 f  141.158   9.9772   54.032   7.6020   57.483   11.021   50.900   10.499  145.454   14.022  136.862   14.197 8.591721 19.95449 
1 1 1   11   19   25 o  305.522   8.9016  252.899   14.696   0.0000   0.0000  252.899   14.696  ?   ?   305.522   8.9016      ?      ? 
1 1 1   11   19   26 o  404.286   6.6182  442.505   14.446  418.219   20.043  468.760   20.840  392.746   9.4439  415.827   9.2744 -23.08032 13.23643 
1 1 1   11   19   27 o  591.605   11.238  950.755   35.927   0.0000   0.0000  950.755   35.927  ?   ?   591.605   11.238      ?      ? 
1 1 1   11   19   28 o  275.719   6.4104  206.662   9.5284  194.794   13.665  217.891   13.293  267.953   9.4377  283.484   8.6776 -15.53140 12.82076 
1 1 1   11   19   29 o  145.129   9.1722   58.784   7.0166   46.742   10.321   69.134   9.5679  130.806   14.602  159.451   11.105 -28.64479 18.34437 
1 1 1   11   19   30 f  348.799   6.3224  330.646   11.903  318.932   17.029  341.836   16.645  342.703   9.1956  354.894   8.6793 -12.19058 12.64471 
1 1 1   11   19   31 o  264.114   8.3770  187.774   10.550  195.293   20.671  185.125   12.268  267.101   14.322  261.128   8.6941 5.972809 16.75393 
1 1 1   11   19   32 o  335.510   8.8796  309.447   15.935  289.640   23.838  325.450   21.426  325.450   13.555  345.570   11.474 -20.11981 17.75923 
1 1 1   11   19   33 o  210.466   9.8538  121.657   10.689  120.563   18.005  122.252   13.284  209.276   15.921  211.656   11.615 -2.379791 19.70763 
1 1 1   11   19   34 o  336.014   8.9044  312.070   16.011  277.252   23.386  342.793   21.968  317.825   13.617  354.203   11.477 -36.37714 17.80882 
1 1 1   11   19   35 o  299.697   8.9561  251.006   14.178  218.333   21.560  275.901   18.820  281.626   14.168  317.768   10.960 -36.14148 17.91225 
1 1 1   11   19   36 o  175.958   9.7567   74.115   7.8792  107.680   17.479   65.555   8.8269  197.007   16.419  154.910   10.545 42.09621 19.51341 
1 1 1   11   19   37 o  131.107   9.0418   44.649   6.2210   62.576   10.219   34.094   7.8414  150.904   12.532  111.311   13.037 39.59313 18.08356 
1 1 1   11   19   38 o  228.422   7.0129  141.468   8.6021  132.174   11.417  153.671   13.082  219.906   9.6080  236.938   10.218 -17.03127 14.02577 
1 1 1   11   19   39 o  111.096   9.8879   33.444   5.8418   38.776   9.3260   30.001   7.4943  118.079   14.616  104.114   13.321 13.96498 19.77583 
1 1 1   11   19   40 o   86.375   12.545   23.152   5.5993   14.779   8.8806   28.677   7.2140   71.002   21.386  101.747   13.121 -30.74509 25.09008 
1 1 1   11   19   41 o  177.715   8.8989   86.439   8.5457   0.0000   0.0000   86.439   8.5457  ?   ?   177.715   8.8989      ?      ? 
1 1 1   11   19   42 o  301.198   6.1092  249.057   9.8959  241.857   14.601  255.174   13.458  296.939   9.0999  305.457   8.1537 -8.517670 12.21847 
1 1 1   11   19   43 o  213.634   6.5130  126.924   7.4066  113.684   11.099  137.554   9.9450  203.105   10.113  224.163   8.2102 -21.05846 13.02592 
1 1 1   11   19   44 o  266.223   6.1716  195.848   8.8157  182.032   12.960  207.747   12.027  257.120   9.3276  275.325   8.0840 -18.20480 12.34324 
1 1 1   11   19   45 o  278.627   6.1122  214.366   9.1548  197.743   13.272  229.455   12.645  267.982   9.1650  289.272   8.0894 -21.28976 12.22444 
1 1 1   11   19   46 o  133.010   8.7123   50.765   6.0043   45.002   9.6437   54.412   7.6729  125.909   14.174  140.110   10.135 -14.20019 17.42456 
1 1 1   11   19   47 o   50.292   13.790   5.7139   5.3687   2.4811   9.0143   7.4911   6.6834   48.046   20.272   52.539   18.701 -4.493389 27.58005 
1 1 1   11   19   48 o  156.344   7.7401   67.383   6.3489   72.636   10.450   64.310   7.9931  160.533   12.047  152.155   9.7217 8.377747 15.48026 
1 1 1   11   19   49 f  100.737   11.472   31.222   5.7243   24.894   9.1645   35.271   7.3301   89.656   19.474  111.817   12.131 -22.16125 22.94346 
1 1 1   11   19   50 o  182.581   7.0877   93.476   6.8820   91.342   10.643   95.008   9.0220  180.210   10.929  184.952   9.0273 -4.742447 14.17549 
1 1 1   11   19   51 o  156.710   7.8041   69.730   6.5069   66.243   9.9547   72.332   8.5979  152.618   12.071  160.802   9.8950 -8.183853 15.60812 
1 1 1   11   19   52 o   66.717   14.759   14.253   5.8993   18.603   9.1706   11.182   7.7052   74.161   21.581   59.272   20.140 14.88909 29.51849 
1 1 1   11   19   53 o   49.686   13.215  -0.5626   5.9064   16.092   9.2865 -11.8767   7.6541   69.438   22.037   29.934   14.593 39.50338 26.43036 
1 1 1   11   19   54 o   37.932   12.392  -4.0901   5.9281  -5.8069   9.1015  -2.8250   7.8127   38.078   17.803   37.786   17.242 0.2922478 24.78353 
1 1 1   11   19   55 o   50.951   14.375   7.8594   5.9663   6.8249   9.0975   8.6402   7.9033   49.954   20.667   51.947   19.985 -1.993645 28.74922 
1 1 1   11   19   56 o  134.202   9.3791   54.579   6.6290   44.067   9.7115   63.751   9.0708  120.187   14.953  148.217   11.326 -28.03025 18.75824 
1 1 1   11   19   57 o   48.044   13.971   6.2314   5.9544   3.1739   8.6920   8.9349   8.1734   44.138   19.275   51.950   20.229 -7.812077 27.94139 
1 1 1   11   20    0 o  452.770   7.2282  553.135   17.660  524.021   24.217  586.198   25.808  440.084   10.184  465.456   10.261 -25.37201 14.45648 
1 1 1   11   20    2 o  424.354   10.007  487.207   22.946   0.0000   0.0000  487.207   22.946  ?   ?   424.354   10.007      ?      ? 
1 1 1   11   20    3 o  552.542   7.8917  826.325   23.556  824.590   33.686  827.986   32.953  551.963   11.294  553.121   11.025 -1.158142 15.78340 
1 1 1   11   20    5 o  414.320   7.8453  465.174   16.738  462.613   28.311  466.550   20.754  413.335   12.676  415.304   9.2479 -1.968628 15.69066 
1 1 1   11   20    6 o  481.536   8.7029  623.930   21.843  642.342   36.252  613.437   27.368  486.952   13.777  476.121   10.637 10.83118 17.40588 
1 1 1   11   20    7 o  104.277   14.451   29.465   8.1426   0.0000   0.0000   29.465   8.1426  ?   ?   104.277   14.451      ?      ? 
1 1 1   11   20    8 o  333.215   6.8904  300.199   12.407   0.0000   0.0000  300.199   12.407  ?   ?   333.215   6.8904      ?      ? 
1 1 1   11   20    9 f  329.390   11.035  293.699   19.641   0.0000   0.0000  293.699   19.641  ?   ?   329.390   11.035      ?      ? 
1 1 1   11   20   10 o  208.765   9.6996  117.939   10.942   0.0000   0.0000  117.939   10.942  ?   ?   208.765   9.6996      ?      ? 
1 1 1   11   20   11 o  144.930   10.382   56.859   8.1310   0.0000   0.0000   56.859   8.1310  ?   ?   144.930   10.382      ?      ? 
1 1 1   11   20   12 o  223.185   7.6827  134.727   9.2655   0.0000   0.0000  134.727   9.2655  ?   ?   223.185   7.6827      ?      ? 
1 1 1   11   20   13 o   73.303   20.660   15.019   8.5352   0.0000   0.0000   15.019   8.5352  ?   ?    73.303   20.660      ?      ? 
1 1 1   11   20   14 f  298.072   6.8441  240.257   11.024   0.0000   0.0000  240.257   11.024  ?   ?   298.072   6.8441      ?      ? 
1 1 1   11   20   15 o  652.884   12.004  1154.97   42.351   0.0000   0.0000  1154.97   42.351  ?   ?   652.884   12.004      ?      ? 
1 1 1   11   20   16 o  518.270   7.5780  726.657   21.222   0.0000   0.0000  726.657   21.222  ?   ?   518.270   7.5780      ?      ? 
1 1 1   11   20   17 o  556.741   11.570  840.253   34.808   0.0000   0.0000  840.253   34.808  ?   ?   556.741   11.570      ?      ? 
1 1 1   11   20   18 o  248.466   6.8150  167.001   9.1500   0.0000   0.0000  167.001   9.1500  ?   ?   248.466   6.8150      ?      ? 
1 1 1   11   20   19 o  126.914   10.882   44.007   6.5589   43.356   12.764   44.241   7.6454  126.077   18.736  127.750   11.075 -1.672966 21.76463 
1 1 1   11   20   20 o  398.913   12.902  431.982   27.811  431.982   27.811   0.0000   0.0000  398.913   12.902  ?   ?       ?      ? 
1 1 1   11   20   21 o  521.709   8.4108  752.882   20.993  707.432   39.905  770.273   24.684  510.072   14.478  533.346   8.5649 -23.27359 16.82162 
1 1 1   11   20   22 o  499.004   10.286  675.171   27.736   0.0000   0.0000  675.171   27.736  ?   ?   499.004   10.286      ?      ? 
1 1 1   11   20   23 o  234.510   10.003  149.149   12.676   0.0000   0.0000  149.149   12.676  ?   ?   234.510   10.003      ?      ? 
1 1 1   11   20   24 o  386.679   9.2055  405.396   19.235   0.0000   0.0000  405.396   19.235  ?   ?   386.679   9.2055      ?      ? 
1 1 1   11   20   25 o  233.207   7.1305  148.104   8.9504  134.406   12.750  161.414   12.568  222.484   10.605  243.931   9.5348 -21.44695 14.26106 
1 1 1   11   20   26 o  283.948   8.9773  218.687   13.774   0.0000   0.0000  218.687   13.774  ?   ?   283.948   8.9773      ?      ? 
1 1 1   11   20   27 o  190.629   10.016   93.359   9.2474  112.725   18.257   86.676   10.725  202.744   16.664  178.515   11.118 24.22864 20.03275 
1 1 1   11   20   28 o  174.167   12.838   88.133   11.406   64.527   17.668  105.000   14.935  152.395   21.455  195.939   14.106 -43.54407 25.67696 
1 1 1   11   20   29 o  436.522   9.8644  517.866   23.166  455.856   31.492  590.991   34.199  408.100   14.281  464.943   13.612 -56.84280 19.72877 
1 1 1   11   20   30 o  195.873   11.091  107.819   11.157   96.779   18.404  114.234   14.029  187.215   18.192  204.531   12.693 -17.31509 22.18249 
1 1 1   11   20   31 o   95.618   17.194   28.577   9.7313   10.779   16.330   38.378   12.118   73.638   28.615  117.598   19.070 -43.96003 34.38717 
1 1 1   11   20   32 o  160.980   9.6363   70.113   8.2451   65.864   10.607   76.599   13.106  155.078   12.658  166.882   14.533 -11.80431 19.27267 
1 1 1   11   20   33 o  105.224   11.671   30.139   6.3528   40.398   9.9097   22.982   8.2775  120.987   15.158   89.461   17.750 31.52612 23.34108 
1 1 1   11   20   34 o  211.367   6.9223  122.754   7.8452  111.241   11.455  132.924   10.767  201.814   10.504  220.921   9.0190 -19.10655 13.84468 
1 1 1   11   20   35 o  128.079   9.4234   44.652   6.4679   49.025   9.9522   41.455   8.5101  133.359   13.811  122.800   12.825 10.55901 18.84686 
1 1 1   11   20   36 o   83.266   13.973   20.354   6.1151   20.125   9.6025   20.511   7.9313   82.523   21.366   84.009   18.012 -1.486359 27.94547 
1 1 1   11   20   37 o   50.178   14.701   1.9967   6.8867 -23.6937   16.028   7.8129   7.6265   44.565   21.584   55.790   19.964 -11.22550 29.40133 
1 1 1   11   20   38 o  198.758   7.7374  108.777   8.2904  112.540   11.471  104.662   11.995  202.502   10.483  195.015   11.383 7.487091 15.47476 
1 1 1   11   20   39 o  115.612   10.840   37.517   6.7339   42.316   9.5842   32.838   9.4632  123.171   14.400  108.053   16.207 15.11811 21.68038 
1 1 1   11   20   40 o   87.891   12.707   22.260   5.7572   25.959   9.0821   19.775   7.4440   93.777   18.580   82.006   17.341 11.77071 25.41452 
1 1 1   11   20   41 o  218.241   6.6042  132.318   7.6917  116.970   11.348  145.359   10.461  206.061   10.192  230.421   8.4018 -24.35942 13.20841 
1 1 1   11   20   42 f   50.703   14.212   4.8850   5.6654   5.3408   9.1668   4.6033   7.2064   53.120   21.194   48.286   18.941 4.834118 28.42442 
1 1 1   11   20   43 o  249.213   8.2402  170.344   11.097   0.0000   0.0000  170.344   11.097  ?   ?   249.213   8.2402      ?      ? 
1 1 1   11   20   44 f  145.661   8.3751   59.964   6.3693   56.146   10.234   62.378   8.1375  141.163   13.416  150.158   10.029 -8.995132 16.75019 
1 1 1   11   20   45 o  121.053   9.5423   41.814   6.0529   39.970   9.6864   42.996   7.7531  118.115   15.176  123.991   11.572 -5.876770 19.08470 
1 1 1   11   20   46 o   55.657   13.815   5.9593   5.5433   16.050   8.9759  -0.2620   7.0479   71.533   21.490   39.781   17.365 31.75148 27.62906 
1 1 1   11   20   47 o  161.066   7.6432   73.915   6.4946   64.253   9.8883   81.244   8.6128  150.930   12.124  171.203   9.3099 -20.27243 15.28646 
1 1 1   11   20   48 f   64.839   13.758   13.335   5.4533   8.0536   8.5959   16.892   7.0547   55.510   20.964   74.169   17.824 -18.65923 27.51646 
1 1 1   11   20   49 o   80.461   13.388   19.833   5.6664   23.874   8.8805   17.059   7.3591   87.108   19.368   73.815   18.489 13.29295 26.77632 
1 1 1   11   20   50 o  115.048   10.244   39.419   6.1185   34.983   9.7335   42.316   7.8672  108.218   16.645  121.878   11.946 -13.65952 20.48775 
1 1 1   11   20   51 o   71.350   14.799   16.160   6.0919   22.800   9.6693   11.789   7.8446   82.181   21.520   60.519   20.322 21.66163 29.59864 
1 1 1   11   20   52 o   85.347   13.099   25.632   6.4496   8.8296   9.9803   37.681   8.4513   56.928   22.301  113.765   13.748 -56.83723 26.19828 
1 1 1   11   20   53 o   40.626   12.878  -3.4250   5.9897   4.4757   9.2126  -9.2102   7.8834   49.062   20.586   32.189   15.477 16.87305 25.75510 
1 1 1   11   20   54 o  142.726   8.9987   62.167   6.7630   52.139   10.098   70.324   9.1070  130.167   14.357  155.286   10.853 -25.11885 17.99745 
1 1 1   11   20   55 o   39.780   12.807  -1.5922   6.0023  -0.3805   9.0627  -2.5390   8.0112   41.948   18.912   37.613   17.273 4.335609 25.61318 
1 1 1   11   20   56 o   51.675   14.270   8.4980   6.0118   4.1111   8.7851   12.362   8.2445   45.324   19.588   58.026   20.758 -12.70145 28.54034 
1 1 1   11   21    4 o  563.070   8.8812  860.208   24.002  856.531   46.094  861.576   28.115  561.874   15.182  564.266   9.2207 -2.391907 17.76242 
1 1 1   11   21    5 o  762.927   19.355  1583.33   79.795  1583.33   79.795   0.0000   0.0000  762.927   19.355  ?   ?       ?      ? 
1 1 1   11   21    6 o  123.290   15.694   41.252   10.455   0.0000   0.0000   41.252   10.455  ?   ?   123.290   15.694      ?      ? 
1 1 1   11   21    7 o  563.746   8.0214  859.666   24.435   0.0000   0.0000  859.666   24.435  ?   ?   563.746   8.0214      ?      ? 
1 1 1   11   21    8 f  703.485   9.2984  1339.23   35.347   0.0000   0.0000  1339.23   35.347  ?   ?   703.485   9.2984      ?      ? 
1 1 1   11   21    9 o  202.277   9.7654  110.748   10.674   0.0000   0.0000  110.748   10.674  ?   ?   202.277   9.7654      ?      ? 
1 1 1   11   21   10 o  287.030   8.8631  222.944   13.747   0.0000   0.0000  222.944   13.747  ?   ?   287.030   8.8631      ?      ? 
1 1 1   11   21   11 o  268.810   8.7280  195.557   12.678   0.0000   0.0000  195.557   12.678  ?   ?   268.810   8.7280      ?      ? 
1 1 1   11   21   12 o  243.441   8.1594  160.374   10.733   0.0000   0.0000  160.374   10.733  ?   ?   243.441   8.1594      ?      ? 
1 1 1   11   21   13 o  753.489   11.157  1538.81   45.429   0.0000   0.0000  1538.81   45.429  ?   ?   753.489   11.157      ?      ? 
1 1 1   11   21   14 o  430.652   7.0979  501.748   16.518   0.0000   0.0000  501.748   16.518  ?   ?   430.652   7.0979      ?      ? 
1 1 1   11   21   15 o  498.105   11.178  672.608   30.086   0.0000   0.0000  672.608   30.086  ?   ?   498.105   11.178      ?      ? 
1 1 1   11   21   16 o  160.061   8.9591   69.375   7.7489   0.0000   0.0000   69.375   7.7489  ?   ?   160.061   8.9591      ?      ? 
1 1 1   11   21   17 f  186.985   7.9728   94.642   8.0557   0.0000   0.0000   94.642   8.0557  ?   ?   186.985   7.9728      ?      ? 
1 1 1   11   21   18 o  329.109   10.932  293.743   19.441   0.0000   0.0000  293.743   19.441  ?   ?   329.109   10.932      ?      ? 
1 1 1   11   21   19 o  287.226   11.267  223.880   17.487   0.0000   0.0000  223.880   17.487  ?   ?   287.226   11.267      ?      ? 
1 1 1   11   21   20 o  184.225   8.3897   98.913   7.1153   79.077   13.685  106.262   8.3296  170.362   14.866  198.088   7.7818 -27.72630 16.77930 
1 1 1   11   21   21 o  151.870   9.3698   62.542   7.6894   0.0000   0.0000   62.542   7.6894  ?   ?   151.870   9.3698      ?      ? 
1 1 1   11   21   22 o  232.465   10.534  146.719   13.232   0.0000   0.0000  146.719   13.232  ?   ?   232.465   10.534      ?      ? 
1 1 1   11   21   23 o  199.689   12.231  109.491   12.787  108.288   20.766  110.225   16.229  198.452   19.365  200.926   14.948 -2.473633 24.46275 
1 1 1   11   21   24 o  280.365   10.276  214.810   15.394  213.919   23.566  215.473   20.331  279.628   15.596  281.102   13.385 -1.474335 20.55193 
1 1 1   11   21   25 o  138.391   17.272   64.116   11.572   25.766   18.287   89.730   14.945   95.774   30.980  181.008   15.280 -85.23328 34.54328 
1 1 1   11   21   26 o  225.324   11.554  142.797   13.630  123.626   21.220  156.261   17.783  211.598   18.559  239.051   13.767 -27.45250 23.10745 
1 1 1   11   21   27 o  391.781   12.902  419.144   27.313   0.0000   0.0000  419.144   27.313  ?   ?   391.781   12.902      ?      ? 
1 1 1   11   21   28 o   65.579   15.964   11.000   6.8882   12.946   9.7959   9.0977   9.6876   69.153   22.693   62.005   22.461 7.148849 31.92849 
1 1 1   11   21   29 o  278.365   6.6136  210.888   9.9282  208.793   14.465  212.754   13.651  276.994   9.6644  279.736   9.0310 -2.741577 13.22720 
1 1 1   11   21   30 o  106.318   12.023   31.304   6.9044   31.463   9.9255   31.154   9.6109  106.544   17.240  106.093   16.764 0.4510345 24.04696 
1 1 1   11   21   31 o   48.575   14.425   1.3986   6.3868   2.1626   9.4416   0.7541   8.6720   50.436   20.976   46.715   19.806 3.720490 28.84901 
1 1 1   11   21   32 o  139.766   9.2491   53.464   6.9611   56.091   10.371   51.311   9.3905  142.812   13.439  136.719   12.711 6.093048 18.49811 
1 1 1   11   21   33 o  157.443   12.804   68.141   10.893   68.141   10.893   0.0000   0.0000  157.443   12.804  ?   ?       ?      ? 
1 1 1   11   21   34 o  355.859   8.8165  345.351   16.954   0.0000   0.0000  345.351   16.954  ?   ?   355.859   8.8165      ?      ? 
1 1 1   11   21   35 o  139.336   9.0455   54.006   6.7404   50.187   10.056   57.122   9.0828  134.577   13.828  144.095   11.665 -9.517365 18.09107 
1 1 1   11   21   36 o  169.101   7.8741   78.125   7.1255   82.085   10.969   75.234   9.3720  172.616   11.760  165.586   10.474 7.029724 15.74827 
1 1 1   11   21   37 o  282.467   8.9389  238.677   11.907  181.171   21.604  263.769   14.271  254.191   15.728  310.742   8.4988 -56.55052 17.87773 
1 1 1   11   21   38 o   79.646   17.332   19.107   7.1088   15.664   17.203   19.816   7.8064   77.388   29.553   81.905   18.119 -4.516106 34.66497 
1 1 1   11   21   39 o  149.867   9.5173   62.767   7.7009   63.958   10.743   61.509   11.045  151.449   13.127  148.285   13.784 3.163681 19.03467 
1 1 1   11   21   40 o   44.272   13.601  -0.1201   6.0179  -2.5131   9.5620   1.4494   7.7439   44.043   19.675   44.500   18.783 -0.4565239 27.20112 
1 1 1   11   21   41 o  132.259   9.0597   47.729   6.3534   55.491   10.255   42.893   8.0940  140.505   13.506  124.013   12.078 16.49245 18.11934 
1 1 1   11   21   42 o  164.576   9.9754   74.847   8.8712   0.0000   0.0000   74.847   8.8712  ?   ?   164.576   9.9754      ?      ? 
1 1 1   11   21   43 o   67.323   13.636   14.145   5.7323   5.7343   8.8957   20.117   7.4962   52.779   20.935   81.866   17.477 -29.08759 27.27120 
1 1 1   11   21   44 o  143.737   8.4851   59.275   6.4066   51.074   9.8374   65.315   8.4424  134.154   13.570  153.320   10.190 -19.16632 16.97025 
1 1 1   11   21   45 o  217.620   8.5790  130.744   10.088   0.0000   0.0000  130.744   10.088  ?   ?   217.620   8.5790      ?      ? 
1 1 1   11   21   46 o  173.813   7.3465   85.308   6.7800   77.130   10.274   91.617   9.0239  165.748   11.471  181.879   9.1818 -16.13106 14.69307 
1 1 1   11   21   47 o   47.750   13.710   4.1920   5.3732   4.8927   8.8535   3.7834   6.7605   50.520   20.587   44.980   18.112 5.539909 27.41999 
1 1 1   11   21   48 o   44.638   13.493   1.8219   5.7322   0.2484   9.0700   2.8684   7.3966   44.641   19.587   44.636   18.565 0.5271912E-02 26.98698 
1 1 1   11   21   49 o   89.992   13.351   25.610   6.1584   26.649   9.8836   24.951   7.8737   90.129   20.726   89.854   16.835 0.2747726 26.70205 
1 1 1   11   21   50 o   60.404   12.304   0.1849   6.1915   28.504   10.046 -17.1585   7.8620   93.352   20.479   27.456   13.646 65.89564 24.60898 
1 1 1   11   21   51 o  181.177   7.7172   92.408   7.4188   96.072   11.733   89.967   9.5763  183.411   11.838  178.942   9.9037 4.468796 15.43444 
1 1 1   11   21   52 o   75.805   14.358   20.623   6.3976   12.581   9.6858   26.847   8.5209   60.711   22.387   90.899   17.984 -30.18858 28.71603 
1 1 1   11   21   53 o  162.235   8.3660   78.109   7.1963   71.342   10.942   83.267   9.5528  154.505   13.106  169.965   10.401 -15.46001 16.73191 
1 1 1   11   21   54 o   37.581   12.377  -3.9409   6.1827  -7.9642   9.5966  -1.0858   8.0841   36.222   17.326   38.940   17.679 -2.717445 24.75349 
1 1 1   11   22    0 o  210.249   7.8515  119.763   8.9190  122.115   12.621  117.416   12.606  212.317   11.001  208.182   11.206 4.134583 15.70306 
1 1 1   11   22    3 o  345.159   9.7558  322.587   18.196   0.0000   0.0000  322.587   18.196  ?   ?   345.159   9.7558      ?      ? 
1 1 1   11   22    4 o  245.055   12.106  162.815   16.030  162.815   16.030   0.0000   0.0000  245.055   12.106  ?   ?       ?      ? 
1 1 1   11   22    5 o  624.185   10.091  1059.27   32.303  1053.60   55.092  1062.23   39.878  622.418   16.380  625.951   11.790 -3.533203 20.18186 
1 1 1   11   22    6 f  342.577   8.6823  317.689   16.072   0.0000   0.0000  317.689   16.072  ?   ?   342.577   8.6823      ?      ? 
1 1 1   11   22    7 o  438.155   11.222  520.389   26.570   0.0000   0.0000  520.389   26.570  ?   ?   438.155   11.222      ?      ? 
1 1 1   11   22    8 o  266.488   8.6680  192.252   12.482   0.0000   0.0000  192.252   12.482  ?   ?   266.488   8.6680      ?      ? 
1 1 1   11   22    9 o  226.769   9.1230  139.248   11.179   0.0000   0.0000  139.248   11.179  ?   ?   226.769   9.1230      ?      ? 
1 1 1   11   22   10 o  116.387   13.939   36.793   8.7663   0.0000   0.0000   36.793   8.7663  ?   ?   116.387   13.939      ?      ? 
1 1 1   11   22   11 o  456.932   8.7072  565.305   21.499   0.0000   0.0000  565.305   21.499  ?   ?   456.932   8.7072      ?      ? 
1 1 1   11   22   12 o  249.304   8.9622  168.316   12.073   0.0000   0.0000  168.316   12.073  ?   ?   249.304   8.9622      ?      ? 
1 1 1   11   22   13 o  105.005   13.343   29.951   7.5710   0.0000   0.0000   29.951   7.5710  ?   ?   105.005   13.343      ?      ? 
1 1 1   11   22   14 o  320.692   8.5094  278.513   14.746   0.0000   0.0000  278.513   14.746  ?   ?   320.692   8.5094      ?      ? 
1 1 1   11   22   15 o  366.942   8.7659  364.766   17.381   0.0000   0.0000  364.766   17.381  ?   ?   366.942   8.7659      ?      ? 
1 1 1   11   22   17 o   79.410   19.404   17.976   8.2555   0.0000   0.0000   17.976   8.2555  ?   ?    79.410   19.404      ?      ? 
1 1 1   11   22   22 o  542.367   9.4056  794.471   25.451  825.225   46.231  781.097   30.487  548.784   15.590  535.951   10.527 12.83319 18.81122 
1 1 1   11   22   23 o  248.857   8.1044  168.872   10.622  168.018   17.019  169.416   13.595  248.109   12.694  249.606   10.079 -1.496811 16.20886 
1 1 1   11   22   24 o  142.233   10.162   55.342   7.7935   50.510   10.860   60.473   11.191  135.779   14.802  148.687   13.928 -12.90727 20.32450 
1 1 1   11   22   25 o  410.734   6.9020  457.723   15.300  428.711   21.132  489.689   22.181  397.060   9.8490  424.408   9.6720 -27.34814 13.80393 
1 1 1   11   22   26 o  332.168   9.2659  299.987   16.632   0.0000   0.0000  299.987   16.632  ?   ?   332.168   9.2659      ?      ? 
1 1 1   11   22   27 o  237.556   7.2679  154.067   9.2770  133.947   12.993  174.993   13.250  221.588   10.851  253.524   9.6722 -31.93608 14.53581 
1 1 1   11   22   28 o  262.187   6.7825  187.237   9.5806  168.469   13.366  207.069   13.740  248.595   9.9500  275.780   9.2199 -27.18532 13.56496 
1 1 1   11   22   29 o  216.217   7.3364  128.138   8.5348  117.439   12.262  138.193   11.887  207.301   10.946  225.133   9.7711 -17.83142 14.67285 
1 1 1   11   22   30 o   75.973   15.389   16.446   6.8517   22.346   9.8640   10.946   9.5244   87.334   21.131   64.612   22.377 22.72218 30.77700 
1 1 1   11   22   32 o  372.477   9.0043  378.595   18.123   0.0000   0.0000  378.595   18.123  ?   ?   372.477   9.0043      ?      ? 
1 1 1   11   22   33 o   99.789   12.814   28.536   6.7420   28.166   9.9025   28.855   9.2049   98.146   19.359  101.432   16.794 -3.285843 25.62870 
1 1 1   11   22   34 f   88.601   13.498   23.793   6.7049   9.9379   9.6291   36.833   9.3417   62.279   22.417  114.923   15.043 -52.64418 26.99621 
1 1 1   11   22   35 o   75.032   14.755   16.941   6.3266   12.651   9.4217   20.465   8.5377   66.914   22.269   83.150   19.363 -16.23639 29.51000 
1 1 1   11   22   36 o   55.005   14.865   6.3827   6.3320   2.4270   9.3933   9.6775   8.5725   49.828   20.839   60.182   21.205 -10.35458 29.73075 
1 1 1   11   22   37 o  172.510   8.0216   82.709   7.3852   79.642   11.240   85.039   9.7964  169.335   12.284  175.684   10.319 -6.348450 16.04328 
1 1 1   11   22   38 o  133.932   16.678   68.266   8.4861   34.257   19.240   76.480   9.4556  101.421   31.656  166.443   10.513 -65.02214 33.35578 
1 1 1   11   22   39 o   53.835   14.940   5.3669   6.3186   9.4739   9.9223   2.5654   8.1950   60.680   22.602   46.991   19.542 13.68868 29.87936 
1 1 1   11   22   40 o  139.561   10.154   54.902   7.6448   51.891   10.460   58.356   11.201  135.497   14.286  143.625   14.432 -8.128265 20.30705 
1 1 1   11   22   41 o  122.352   9.9769   41.373   6.5064   49.278   10.286   36.100   8.4007  131.712   14.452  112.992   13.759 18.71994 19.95372 
1 1 1   11   22   42 o  124.820   9.7665   45.708   6.3362   35.915   9.6069   53.248   8.4295  111.582   15.933  138.057   11.299 -26.47429 19.53308 
1 1 1   11   22   43 o   70.108   14.457   15.506   5.8496   13.113   9.0535   17.221   7.6641   65.536   21.831   74.680   18.958 -9.144302 28.91370 
1 1 1   11   22   44 o  141.278   8.7557   56.950   6.5730   52.705   10.008   60.170   8.7165  135.951   13.623  146.605   11.003 -10.65327 17.51139 
1 1 1   11   22   45 o  165.329   10.485   76.380   9.3670   0.0000   0.0000   76.380   9.3670  ?   ?   165.329   10.485      ?      ? 
1 1 1   11   22   46 f  110.915   11.292   37.798   6.2670   30.351   9.7412   43.057   8.1861   98.818   18.932  123.012   12.315 -24.19348 22.58494 
1 1 1   11   22   47 f   65.412   13.599   10.576   5.9029   25.004   9.4058   1.2017   7.5818   88.366   20.146   42.458   18.273 45.90731 27.19848 
1 1 1   11   22   48 o  198.470   7.4052  113.991   7.7501   95.578   11.613  128.775   10.406  182.478   11.778  214.462   8.9796 -31.98460 14.81047 
1 1 1   11   22   49 o   44.637   13.808   0.8037   6.2301   2.4233   9.7469  -0.3150   8.1011   47.884   20.663   41.391   18.321 6.492977 27.61548 
1 1 1   11   22   50 o   37.345   12.131  -6.8257   6.1692 -19.4288   9.6634   1.8444   8.0150   30.884   15.312   43.806   18.819 -12.92162 24.26158 
1 1 1   11   22   51 o  121.048   10.643   45.364   6.8635   46.561   10.638   44.511   8.9832  121.092   16.258  121.004   13.739 0.8801270E-01 21.28573 
1 1 1   11   22   52 o   74.839   14.914   18.555   6.4513   28.540   10.231   11.964   8.3121   90.368   21.300   59.310   20.882 31.05833 29.82851 
1 1 1   11   22   53 o  161.650   8.4878   76.667   7.3111   84.654   11.517   71.277   9.4618  167.693   12.710  155.607   11.253 12.08612 16.97562 
1 1 1   11   23    0 o  340.798   8.6386  314.885   15.898  331.081   22.797  299.549   22.183  349.340   12.076  332.257   12.356 17.08319 17.27720 
1 1 1   11   23    1 o  241.456   8.6640  158.258   11.299  162.770   15.914  153.671   16.045  244.947   12.023  237.965   12.478 6.982285 17.32797 
1 1 1   11   23    2 o  151.765   11.005   62.787   9.0061   66.441   12.614   58.986   12.863  156.320   14.933  147.209   16.170 9.110840 22.01061 
1 1 1   11   23    3 o  399.367   12.563  432.883   27.112  432.883   27.112   0.0000   0.0000  399.367   12.563  ?   ?       ?      ? 
1 1 1   11   23    4 o  313.125   11.836  265.991   20.027  265.991   20.027   0.0000   0.0000  313.125   11.836  ?   ?       ?      ? 
1 1 1   11   23    7 o  180.249   11.914   88.173   11.604   0.0000   0.0000   88.173   11.604  ?   ?   180.249   11.914      ?      ? 
1 1 1   11   23    8 o  231.682   10.167  145.516   12.728   0.0000   0.0000  145.516   12.728  ?   ?   231.682   10.167      ?      ? 
1 1 1   11   23    9 o  360.771   9.5866  352.772   18.689   0.0000   0.0000  352.772   18.689  ?   ?   360.771   9.5866      ?      ? 
1 1 1   11   23   10 o  117.046   16.544   37.383   10.464   0.0000   0.0000   37.383   10.464  ?   ?   117.046   16.544      ?      ? 
1 1 1   11   23   11 o  578.475   11.404  908.612   35.647   0.0000   0.0000  908.612   35.647  ?   ?   578.475   11.404      ?      ? 
1 1 1   11   23   13 o  310.572   9.2265  261.533   15.484   0.0000   0.0000  261.533   15.484  ?   ?   310.572   9.2265      ?      ? 
1 1 1   11   23   14 o  150.630   12.522   61.722   10.192   0.0000   0.0000   61.722   10.192  ?   ?   150.630   12.522      ?      ? 
1 1 1   11   23   15 o  131.326   12.456   46.927   8.8394   0.0000   0.0000   46.927   8.8394  ?   ?   131.326   12.456      ?      ? 
1 1 1   11   23   16 o  359.600   10.885  351.371   21.151   0.0000   0.0000  351.371   21.151  ?   ?   359.600   10.885      ?      ? 
1 1 1   11   23   17 o  212.418   7.6188  122.275   8.7451   0.0000   0.0000  122.275   8.7451  ?   ?   212.418   7.6188      ?      ? 
1 1 1   11   23   18 o   76.124   16.929   16.517   6.7836   0.0000   0.0000   16.517   6.7836  ?   ?    76.124   16.929      ?      ? 
1 1 1   11   23   19 o  199.154   7.7935  107.561   8.3871   0.0000   0.0000  107.561   8.3871  ?   ?   199.154   7.7935      ?      ? 
1 1 1   11   23   20 o  179.350   15.229   88.200   14.759   0.0000   0.0000   88.200   14.759  ?   ?   179.350   15.229      ?      ? 
1 1 1   11   23   21 o  138.712   9.7478   47.721   6.3958   63.108   13.337   43.126   7.2884  151.546   16.287  125.877   10.715 25.66932 19.49566 
1 1 1   11   23   22 o  273.174   7.7444  202.812   10.424  204.302   19.214  202.190   12.409  273.436   13.004  272.911   8.4148 0.5249329 15.48883 
1 1 1   11   23   23 o  122.874   11.029   41.447   6.3527   41.667   12.649   41.373   7.3465  122.552   19.100  123.196   11.036 -0.6436157 22.05868 
1 1 1   11   23   24 o  138.769   10.156   52.940   7.6082   55.388   10.733   50.468   10.786  142.055   13.982  135.482   14.734 6.573288 20.31203 
1 1 1   11   23   25 f  382.055   6.8433  397.502   14.119  377.861   19.764  417.970   20.176  372.373   9.8222  391.736   9.5314 -19.36255 13.68663 
1 1 1   11   23   26 o  141.340   14.420   55.034   11.013   0.0000   0.0000   55.034   11.013  ?   ?   141.340   14.420      ?      ? 
1 1 1   11   23   27 o  137.088   10.082   51.750   7.4604   55.191   10.707   48.503   10.400  141.562   13.998  132.613   14.514 8.949020 20.16382 
1 1 1   11   23   28 o  143.914   9.6716   57.131   7.5098   54.814   10.765   59.328   10.481  140.974   14.132  146.853   13.208 -5.879425 19.34326 
1 1 1   11   23   29 o  229.478   10.114  143.944   12.542   0.0000   0.0000  143.944   12.542  ?   ?   229.478   10.114      ?      ? 
1 1 1   11   23   30 o  132.736   10.373   48.390   7.2330   65.764   10.849   34.487   9.7047  154.344   13.008  111.127   16.161 43.21674 20.74569 
1 1 1   11   23   31 f  100.843   13.520   29.617   7.0933   31.472   10.262   27.919   9.8160  103.989   18.960   97.698   19.278 6.291267 27.03971 
1 1 1   11   23   32 o  181.188   7.9851   90.767   7.7702   85.385   11.420   95.406   10.603  175.948   12.011  186.428   10.525 -10.48077 15.97023 
1 1 1   11   23   33 o  298.690   9.0291  244.098   14.573   0.0000   0.0000  244.098   14.573  ?   ?   298.690   9.0291      ?      ? 
1 1 1   11   23   34 o  176.675   8.3463   87.900   7.7507   65.208   10.990  110.355   10.933  153.020   13.291  200.331   10.099 -47.31090 16.69262 
1 1 1   11   23   35 o  268.313   9.0003  197.438   13.049   0.0000   0.0000  197.438   13.049  ?   ?   268.313   9.0003      ?      ? 
1 1 1   11   23   36 o  191.650   7.6105  101.691   7.7955  100.202   11.881  102.818   10.330  190.083   11.567  193.217   9.8940 -3.133835 15.22098 
1 1 1   11   23   37 o  137.625   9.4812   54.152   6.9055   46.062   10.307   60.740   9.3016  127.488   14.962  147.762   11.650 -20.27323 18.96230 
1 1 1   11   23   38 o  271.645   8.7311  202.792   12.816   0.0000   0.0000  202.792   12.816  ?   ?   271.645   8.7311      ?      ? 
1 1 1   11   23   39 o   46.216   15.075  -3.2071   7.4271 -17.6306   17.779  -0.1579   8.1746   49.391   23.613   43.041   18.747 6.350040 30.14993 
1 1 1   11   23   40 o   75.287   14.460   16.441   6.8716   4.9331   9.4319   29.459   10.032   52.333   21.279   98.240   19.584 -45.90716 28.91929 
1 1 1   11   23   41 o  158.072   9.3598   70.097   7.9481   63.718   10.569   78.401   12.058  149.995   13.040  166.150   13.431 -16.15479 18.71957 
1 1 1   11   23   42 o  152.558   8.7469   66.702   7.0846   58.661   10.606   73.181   9.5201  143.384   13.688  161.732   10.893 -18.34772 17.49389 
1 1 1   11   23   43 o  172.030   7.9650   84.040   7.2701   76.410   11.059   89.847   9.6475  164.363   12.452  179.697   9.9354 -15.33385 15.92999 
1 1 1   11   23   44 o   72.120   15.132   15.854   6.3574   22.608   10.042   11.337   8.2127   83.272   21.991   60.969   20.792 22.30264 30.26391 
1 1 1   11   23   45 o   80.885   14.587   21.340   6.3942   18.849   9.8697   23.141   8.3941   75.647   22.491   86.123   18.583 -10.47569 29.17493 
1 1 1   11   23   46 f   76.462   14.483   19.853   6.1529   16.066   9.8649   22.264   7.8718   68.936   22.780   83.988   17.893 -15.05182 28.96643 
1 1 1   11   23   47 o   42.282   13.391  -1.5923   6.1989   2.2464   9.8043  -4.1489   8.0012   47.619   20.636   36.944   17.073 10.67541 26.78270 
1 1 1   11   23   48 o  150.358   8.9241   64.761   7.1794   67.044   11.013   63.075   9.4679  152.067   13.402  148.648   11.787 3.418961 17.84811 
1 1 1   11   23   49 o   79.530   14.330   22.357   6.5080   14.121   9.6786   29.154   8.7924   63.747   22.524   95.313   17.724 -31.56548 28.66100 
1 1 1   11   23   50 o  178.202   10.278   91.666   9.8974   0.0000   0.0000   91.666   9.8974  ?   ?   178.202   10.278      ?      ? 
1 1 1   11   23   51 o   86.999   14.502   26.404   6.6501   25.757   10.303   26.867   8.7068   84.151   22.299   89.848   18.548 -5.696632 29.00492 
1 1 1   11   23   52 o   77.843   15.232   22.754   6.5804   24.432   10.021   21.482   8.7253   79.438   22.385   76.249   20.662 3.189034 30.46312 
1 1 1   11   24    0 o  317.543   7.8957  276.942   13.360  250.225   20.034  298.336   17.928  303.440   12.218  331.647   10.004 -28.20685 15.79145 
1 1 1   11   24    1 o  421.659   12.970  483.559   29.553  483.559   29.553   0.0000   0.0000  421.659   12.970  ?   ?       ?      ? 
1 1 1   11   24    2 o  379.821   10.959  373.746   21.285  595.495   34.150  232.883   27.218  467.777   13.510  291.865   17.258 175.9123 21.91745 
1 1 1   11   24    3 o  246.823   12.035  165.563   16.052  165.563   16.052   0.0000   0.0000  246.823   12.035  ?   ?       ?      ? 
1 1 1   11   24    4 o  308.859   7.9152  258.400   13.210   0.0000   0.0000  258.400   13.210  ?   ?   308.859   7.9152      ?      ? 
1 1 1   11   24    5 o  157.515   10.520   67.344   8.9539   0.0000   0.0000   67.344   8.9539  ?   ?   157.515   10.520      ?      ? 
1 1 1   11   24    6 o  399.510   11.338  433.589   24.477   0.0000   0.0000  433.589   24.477  ?   ?   399.510   11.338      ?      ? 
1 1 1   11   24    7 o   69.114   19.489   13.473   7.5927   0.0000   0.0000   13.473   7.5927  ?   ?    69.114   19.489      ?      ? 
1 1 1   11   24    8 o  229.716   7.6762  142.948   9.5285   0.0000   0.0000  142.948   9.5285  ?   ?   229.716   7.6762      ?      ? 
1 1 1   11   24    9 o  293.022   8.5437  232.760   13.528   0.0000   0.0000  232.760   13.528  ?   ?   293.022   8.5437      ?      ? 
1 1 1   11   24   10 o  232.158   8.0851  146.072   10.143   0.0000   0.0000  146.072   10.143  ?   ?   232.158   8.0851      ?      ? 
1 1 1   11   24   11 o  232.244   9.6917  146.404   12.163   0.0000   0.0000  146.404   12.163  ?   ?   232.244   9.6917      ?      ? 
1 1 1   11   24   12 o  211.731   7.7728  121.503   8.8931   0.0000   0.0000  121.503   8.8931  ?   ?   211.731   7.7728      ?      ? 
1 1 1   11   24   13 o  140.506   11.178   53.708   8.4869   0.0000   0.0000   53.708   8.4869  ?   ?   140.506   11.178      ?      ? 
1 1 1   11   24   14 o  205.723   7.9316  114.775   8.8173   0.0000   0.0000  114.775   8.8173  ?   ?   205.723   7.9316      ?      ? 
1 1 1   11   24   15 o  138.617   10.099   52.247   7.5642   0.0000   0.0000   52.247   7.5642  ?   ?   138.617   10.099      ?      ? 
1 1 1   11   24   16 o  227.565   7.2660  140.391   8.9349   0.0000   0.0000  140.391   8.9349  ?   ?   227.565   7.2660      ?      ? 
1 1 1   11   24   17 o   58.517   24.923   0.8188   13.841   0.0000   0.0000   0.8188   13.841  ?   ?    58.517   24.923      ?      ? 
1 1 1   11   24   18 o  275.482   6.9724  205.704   10.379   0.0000   0.0000  205.704   10.379  ?   ?   275.482   6.9724      ?      ? 
1 1 1   11   24   19 o  129.863   10.336   45.911   7.2532   0.0000   0.0000   45.911   7.2532  ?   ?   129.863   10.336      ?      ? 
1 1 1   11   24   20 o  345.716   7.3576  324.271   13.745   0.0000   0.0000  324.271   13.745  ?   ?   345.716   7.3576      ?      ? 
1 1 1   11   24   21 f  137.619   9.9167   51.594   7.3745   0.0000   0.0000   51.594   7.3745  ?   ?   137.619   9.9167      ?      ? 
1 1 1   11   24   22 o  371.307   7.2718  376.147   12.747  375.901   25.109  376.232   14.795  370.363   12.546  372.250   7.3554 -1.887665 14.54356 
1 1 1   11   24   23 o  249.504   7.3579  165.483   8.5485  178.784   17.518  161.325   9.7938  255.292   12.698  243.717   7.4367 11.57500 14.71575 
1 1 1   11   24   24 o  225.077   7.6402  135.168   8.6029  147.162   15.717  130.037   10.280  231.586   12.559  218.567   8.7036 13.01837 15.28034 
1 1 1   11   24   26 o   94.748   14.315   26.199   7.1231   21.513   9.8799   31.272   10.279   85.441   21.435  104.055   18.980 -18.61396 28.63089 
1 1 1   11   24   27 o  184.368   7.9411   93.456   7.8964   88.451   11.290   98.250   11.049  179.418   11.645  189.317   10.800 -9.898560 15.88218 
1 1 1   11   24   28 o  177.262   8.3892   86.595   8.0241   84.538   11.576   88.497   11.132  175.130   12.232  179.395   11.484 -4.264786 16.77838 
1 1 1   11   24   29 o  100.425   13.521   29.252   7.1631   26.559   10.327   31.750   9.9446   94.671   20.758  106.179   17.333 -11.50789 27.04270 
1 1 1   11   24   30 o   59.845   15.760   8.2159   6.8768   11.358   10.091   5.4921   9.3963   65.183   23.003   54.506   21.549 10.67627 31.51951 
1 1 1   11   24   31 o  241.576   9.6149  160.044   12.551   0.0000   0.0000  160.044   12.551  ?   ?   241.576   9.6149      ?      ? 
1 1 1   11   24   32 o  331.815   9.1545  301.960   16.414   0.0000   0.0000  301.960   16.414  ?   ?   331.815   9.1545      ?      ? 
1 1 1   11   24   33 o   46.134   14.197  -0.4093   6.6434  -1.9910   9.5477   1.0752   9.2498   44.682   19.828   47.586   20.324 -2.904789 28.39378 
1 1 1   11   24   34 o  108.114   12.719   35.322   6.9243   22.426   9.8669   47.837   9.7196   85.650   21.384  130.578   13.775 -44.92813 25.43713 
1 1 1   11   24   35 o  247.949   9.4442  169.370   12.654   0.0000   0.0000  169.370   12.654  ?   ?   247.949   9.4442      ?      ? 
1 1 1   11   24   36 o   95.580   13.700   27.135   6.9495   35.267   10.165   19.999   9.5222  110.691   16.995   80.469   21.492 30.22157 27.40001 
1 1 1   11   24   37 o  335.641   9.0092  310.410   16.340   0.0000   0.0000  310.410   16.340  ?   ?   335.641   9.0092      ?      ? 
1 1 1   11   24   38 o   91.002   14.009   25.294   6.6881   28.327   9.8317   22.683   9.1247   96.294   19.562   85.709   20.057 10.58516 28.01716 
1 1 1   11   24   39 o  190.709   10.897  105.219   9.2817  103.874   19.500  105.613   10.554  186.454   19.355  194.965   10.018 -8.511520 21.79345 
1 1 1   11   24   40 o   42.966   14.655  -9.4118   7.4280 -10.1937   17.502  -9.2400   8.2036   52.143   24.477   33.789   16.122 18.35392 29.30947 
1 1 1   11   24   41 o  225.731   8.0734  140.607   9.7233  128.524   12.599  158.401   15.290  214.337   10.878  237.125   11.933 -22.78854 16.14687 
1 1 1   11   24   42 o  145.893   9.4034   61.152   7.2931   59.608   11.267   62.265   9.5678  143.507   14.530  148.280   11.941 -4.773392 18.80690 
1 1 1   11   24   43 o  189.725   7.9872  101.985   8.0972   98.904   12.280  104.354   10.770  186.513   12.184  192.936   10.331 -6.422440 15.97433 
1 1 1   11   24   44 o  154.240   9.2681   70.246   7.5180   59.286   11.359   78.789   10.029  141.894   14.814  166.587   11.141 -24.69270 18.53615 
1 1 1   11   24   45 o   68.931   15.678   15.732   6.5261   18.256   10.349   14.066   8.4088   72.613   23.286   65.249   20.997 7.363174 31.35514 
1 1 1   11   24   46 f  111.440   12.744   40.282   7.0049   29.409   10.891   47.953   9.1482   94.139   21.833  128.740   13.150 -34.60072 25.48750 
1 1 1   11   24   47 o   54.797   15.332   7.8586   6.6952   10.260   10.162   6.0163   8.9000   58.639   22.632   50.954   20.688 7.684319 30.66306 
1 1 1   11   24   48 o   85.262   14.629   26.356   6.6620   23.876   10.249   28.170   8.7665   79.171   22.751   91.352   18.395 -12.18056 29.25731 
1 1 1   11   24   49 o  140.111   9.7643   59.993   7.1727   51.740   10.977   66.143   9.4757  129.520   15.684  150.702   11.636 -21.18228 19.52866 
1 1 1   11   24   50 o   89.215   13.924   28.803   6.6433   22.353   10.212   33.535   8.7471   75.677   22.964  102.754   15.754 -27.07709 27.84856 
1 1 1   11   25    0 o  368.797   7.0793  368.937   14.098  350.117   19.598  389.120   20.295  359.044   10.101  378.550   9.9214 -19.50543 14.15866 
1 1 1   11   25    1 o  326.822   17.252  293.018   30.467   0.0000   0.0000  293.018   30.467  ?   ?   326.822   17.252      ?      ? 
1 1 1   11   25    2 o  410.730   12.780  459.685   28.365  459.685   28.365   0.0000   0.0000  410.730   12.780  ?   ?       ?      ? 
1 1 1   11   25    3 o   51.740   20.607   3.9522   8.6522   0.0000   0.0000   3.9522   8.6522  ?   ?    51.740   20.607      ?      ? 
1 1 1   11   25    4 o  128.778   11.221   45.113   7.8086   0.0000   0.0000   45.113   7.8086  ?   ?   128.778   11.221      ?      ? 
1 1 1   11   25    5 o  218.898   14.406  130.961   17.040   0.0000   0.0000  130.961   17.040  ?   ?   218.898   14.406      ?      ? 
1 1 1   11   25    6 o  184.997   8.9873   92.897   8.9842   0.0000   0.0000   92.897   8.9842  ?   ?   184.997   8.9873      ?      ? 
1 1 1   11   25    7 o  130.973   11.303   46.702   7.9992   0.0000   0.0000   46.702   7.9992  ?   ?   130.973   11.303      ?      ? 
1 1 1   11   25    8 o  273.302   7.1715  202.453   10.591   0.0000   0.0000  202.453   10.591  ?   ?   273.302   7.1715      ?      ? 
1 1 1   11   25    9 o  341.788   7.8516  316.860   14.501   0.0000   0.0000  316.860   14.501  ?   ?   341.788   7.8516      ?      ? 
1 1 1   11   25   10 f  191.142   8.5964   99.180   8.8789   0.0000   0.0000   99.180   8.8789  ?   ?   191.142   8.5964      ?      ? 
1 1 1   11   25   11 o  231.819   9.0414  145.956   11.326   0.0000   0.0000  145.956   11.326  ?   ?   231.819   9.0414      ?      ? 
1 1 1   11   25   12 o   88.395   28.200   21.991   15.193   0.0000   0.0000   21.991   15.193  ?   ?    88.395   28.200      ?      ? 
1 1 1   11   25   13 o  283.893   8.6852  218.846   13.324   0.0000   0.0000  218.846   13.324  ?   ?   283.893   8.6852      ?      ? 
1 1 1   11   25   14 o  152.089   10.754   63.000   8.8382   0.0000   0.0000   63.000   8.8382  ?   ?   152.089   10.754      ?      ? 
1 1 1   11   25   15 o  328.351   8.5489  292.876   15.168   0.0000   0.0000  292.876   15.168  ?   ?   328.351   8.5489      ?      ? 
1 1 1   11   25   16 o  212.618   10.202  123.151   11.721   0.0000   0.0000  123.151   11.721  ?   ?   212.618   10.202      ?      ? 
1 1 1   11   25   17 o  141.803   10.463   54.837   8.0172   0.0000   0.0000   54.837   8.0172  ?   ?   141.803   10.463      ?      ? 
1 1 1   11   25   18 o  156.094   9.5354   66.373   8.0429   0.0000   0.0000   66.373   8.0429  ?   ?   156.094   9.5354      ?      ? 
1 1 1   11   25   19 o  104.887   12.779   30.181   7.2426   0.0000   0.0000   30.181   7.2426  ?   ?   104.887   12.779      ?      ? 
1 1 1   11   25   20 o   32.897   15.262  -5.3933   6.4861   0.0000   0.0000  -5.3933   6.4861  ?   ?    32.897   15.262      ?      ? 
1 1 1   11   25   21 o   88.906   13.939   21.776   6.6965   0.0000   0.0000   21.776   6.6965  ?   ?    88.906   13.939      ?      ? 
1 1 1   11   25   22 o  225.595   7.0946  138.241   8.6486   0.0000   0.0000  138.241   8.6486  ?   ?   225.595   7.0946      ?      ? 
1 1 1   11   25   23 o   76.055   15.140   17.110   6.0754   14.908   11.835   17.898   7.0792   73.468   24.960   78.642   17.142 -5.174721 30.28007 
1 1 1   11   25   24 o  155.905   9.1673   71.400   6.8155   57.230   12.380   77.563   8.1642  143.234   15.995  168.576   8.9625 -25.34225 18.33470 
1 1 1   11   25   25 o  276.583   7.5130  212.254   10.411  203.176   18.368  216.551   12.637  271.366   12.526  281.800   8.2988 -10.43472 15.02596 
1 1 1   11   25   26 o   89.755   15.265   24.046   7.3670   28.546   10.498   19.679   10.341   98.353   20.420   81.156   22.695 17.19677 30.52939 
1 1 1   11   25   27 o  266.886   9.9441  195.249   14.341   0.0000   0.0000  195.249   14.341  ?   ?   266.886   9.9441      ?      ? 
1 1 1   11   25   28 o  161.057   9.1400   71.544   7.9115   61.867   10.801   82.746   11.621  149.217   13.396  172.898   12.438 -23.68062 18.27992 
1 1 1   11   25   29 o  114.353   12.416   37.956   7.4120   42.705   10.317   32.890   10.655  123.162   15.503  105.545   19.397 17.61711 24.83103 
1 1 1   11   25   30 o  308.665   6.8740  262.046   11.457  257.960   16.428  265.916   15.988  306.207   9.9283  311.123   9.5098 -4.916290 13.74797 
1 1 1   11   25   31 o  156.610   13.127   68.478   11.109   0.0000   0.0000   68.478   11.109  ?   ?   156.610   13.127      ?      ? 
1 1 1   11   25   32 o   77.598   15.686   18.557   6.9403   20.401   9.6313   16.565   10.010   81.485   21.545   73.711   22.804 7.774269 31.37226 
1 1 1   11   25   33 o   94.814   13.886   27.503   7.1469   14.085   9.9836   41.607   10.236   68.794   22.925  120.833   15.676 -52.03908 27.77242 
1 1 1   11   25   34 o   85.561   14.858   22.847   6.8875   18.363   10.094   26.754   9.4213   76.896   22.718   94.226   19.156 -17.32969 29.71647 
1 1 1   11   25   35 o   88.977   14.781   24.684   6.9654   22.832   10.493   26.144   9.3137   85.144   22.476   92.811   19.204 -7.666771 29.56278 
1 1 1   11   25   36 f  209.305   9.9624  121.500   11.268   0.0000   0.0000  121.500   11.268  ?   ?   209.305   9.9624      ?      ? 
1 1 1   11   25   37 o  103.169   13.460   32.927   7.1881   23.935   10.351   41.304   9.9898   86.712   22.043  119.626   15.454 -32.91359 26.92049 
1 1 1   11   25   38 o  207.128   9.9950  119.379   11.187   0.0000   0.0000  119.379   11.187  ?   ?   207.128   9.9950      ?      ? 
1 1 1   11   25   39 o   94.647   15.184   28.729   7.3944   26.712   12.223   29.894   9.2866   89.942   24.489   99.353   17.959 -9.411400 30.36842 
1 1 1   11   25   40 o  174.443   14.454  105.389   9.9929   72.027   20.414  115.903   11.460  145.466   26.964  203.420   10.425 -57.95442 28.90888 
1 1 1   11   25   41 o  161.454   9.4444   74.373   8.2101   80.648   12.263   69.276   11.053  167.445   13.553  155.463   13.157 11.98170 18.88886 
1 1 1   11   25   42 o  157.306   10.405   71.123   8.7465   59.565   11.497   87.005   13.476  142.243   14.958  172.368   14.469 -30.12552 20.81049 
1 1 1   11   25   43 o   67.627   15.572   14.018   7.0694   24.179   10.600   5.8763   9.4877   83.668   22.816   51.587   21.199 32.08136 31.14437 
1 1 1   11   25   44 o   77.589   15.858   20.543   7.0751   18.034   10.600   22.558   9.5014   72.641   23.594   82.537   21.194 -9.895866 31.71552 
1 1 1   11   25   45 o   89.330   14.517   26.988   7.1833   17.604   10.675   34.754   9.7110   71.527   23.699  107.134   16.774 -35.60667 29.03494 
1 1 1   11   25   46 o   40.932   13.228  -3.8557   6.6055   5.0872   10.228 -10.2541   8.6516   49.240   21.208   32.625   15.815 16.61556 26.45527 
1 1 1   11   25   47 o   66.715   15.990   16.277   6.8804   15.400   10.193   17.011   9.3254   64.944   23.097   68.486   22.120 -3.541420 31.98027 
1 1 1   11   25   48 o   90.435   14.774   29.067   7.0264   29.055   10.733   29.077   9.2948   88.664   22.396   92.206   19.275 -3.542595 29.54876 
1 1 1   11   26    0 o  282.008   10.007  221.114   13.665  225.727   16.185  209.662   25.502  288.040   10.399  275.976   17.101 12.06381 20.01404 
1 1 1   11   26    1 o  257.655   12.086  181.059   16.828  181.059   16.828   0.0000   0.0000  257.655   12.086  ?   ?       ?      ? 
1 1 1   11   26    2 o  253.031   9.0868  173.912   12.424   0.0000   0.0000  173.912   12.424  ?   ?   253.031   9.0868      ?      ? 
1 1 1   11   26    3 o   68.465   20.168   13.234   7.9655   0.0000   0.0000   13.234   7.9655  ?   ?    68.465   20.168      ?      ? 
1 1 1   11   26    4 o  272.394   9.1786  201.592   13.510   0.0000   0.0000  201.592   13.510  ?   ?   272.394   9.1786      ?      ? 
1 1 1   11   26    5 o  326.059   7.1553  288.235   12.607   0.0000   0.0000  288.235   12.607  ?   ?   326.059   7.1553      ?      ? 
1 1 1   11   26    6 o   41.721   17.974  -0.4800   7.3510   0.0000   0.0000  -0.4800   7.3510  ?   ?    41.721   17.974      ?      ? 
1 1 1   11   26    7 o   82.715   17.128   19.536   7.4037   0.0000   0.0000   19.536   7.4037  ?   ?    82.715   17.128      ?      ? 
1 1 1   11   26    8 o  143.965   10.235   56.431   7.9624   0.0000   0.0000   56.431   7.9624  ?   ?   143.965   10.235      ?      ? 
1 1 1   11   26    9 o  114.913   12.342   36.095   7.6636   0.0000   0.0000   36.095   7.6636  ?   ?   114.913   12.342      ?      ? 
1 1 1   11   26   10 o  204.963   8.2714  114.126   9.1610   0.0000   0.0000  114.126   9.1610  ?   ?   204.963   8.2714      ?      ? 
1 1 1   11   26   11 o  152.488   9.6836   63.320   7.9793   0.0000   0.0000   63.320   7.9793  ?   ?   152.488   9.6836      ?      ? 
1 1 1   11   26   12 f   84.743   17.347   20.597   7.6763   0.0000   0.0000   20.597   7.6763  ?   ?    84.743   17.347      ?      ? 
1 1 1   11   26   13 o   84.958   16.806   20.658   7.4420   0.0000   0.0000   20.658   7.4420  ?   ?    84.958   16.806      ?      ? 
1 1 1   11   26   14 o   95.937   14.443   25.356   7.4877   0.0000   0.0000   25.356   7.4877  ?   ?    95.937   14.443      ?      ? 
1 1 1   11   26   15 o   67.589   18.770   13.150   7.0996   0.0000   0.0000   13.150   7.0996  ?   ?    67.589   18.770      ?      ? 
1 1 1   11   26   16 o  185.876   8.6137   94.034   8.6517   0.0000   0.0000   94.034   8.6517  ?   ?   185.876   8.6137      ?      ? 
1 1 1   11   26   17 o   58.856   19.124   9.4748   6.9637   0.0000   0.0000   9.4748   6.9637  ?   ?    58.856   19.124      ?      ? 
1 1 1   11   26   18 o  287.789   7.4126  225.091   11.528   0.0000   0.0000  225.091   11.528  ?   ?   287.789   7.4126      ?      ? 
1 1 1   11   26   19 o  210.246   10.076  120.818   11.447   0.0000   0.0000  120.818   11.447  ?   ?   210.246   10.076      ?      ? 
1 1 1   11   26   20 o  210.859   7.5145  120.973   8.5621   0.0000   0.0000  120.973   8.5621  ?   ?   210.859   7.5145      ?      ? 
1 1 1   11   26   21 o  245.468   7.5037  164.012   9.9531   0.0000   0.0000  164.012   9.9531  ?   ?   245.468   7.5037      ?      ? 
1 1 1   11   26   22 o  277.521   7.4816  209.694   11.220   0.0000   0.0000  209.694   11.220  ?   ?   277.521   7.4816      ?      ? 
1 1 1   11   26   23 o  181.163   8.4346   87.693   7.1445   96.149   14.578   85.021   8.1963  185.864   14.515  176.462   8.5957 9.402359 16.86927 
1 1 1   11   26   24 o  166.666   8.5129   77.434   6.9649   74.797   12.753   78.555   8.3143  163.861   14.403  169.471   9.0791 -5.610107 17.02574 
1 1 1   11   26   25 o   87.342   14.402   20.475   5.9838   28.221   12.067   17.949   6.8907   96.290   23.417   78.394   16.773 17.89575 28.80436 
1 1 1   11   26   26 o  103.456   14.979   33.012   8.1292   23.739   12.240   40.331   10.874   87.678   24.751  119.234   16.877 -31.55590 29.95747 
1 1 1   11   26   27 o   93.340   14.335   25.660   7.2439   17.416   9.9121   35.109   10.612   75.864   22.536  110.816   17.723 -34.95249 28.66991 
1 1 1   11   26   28 o  102.005   13.593   30.891   7.2110   30.934   9.9817   30.844   10.429  102.292   18.749  101.719   19.685 0.5725327 27.18504 
1 1 1   11   26   29 o  208.829   10.910  120.743   12.311   0.0000   0.0000  120.743   12.311  ?   ?   208.829   10.910      ?      ? 
1 1 1   11   26   30 o   54.160   15.316   5.0592   6.9134   1.4203   9.5943   8.9892   9.9706   48.419   20.689   59.901   22.589 -11.48270 30.63158 
1 1 1   11   26   31 o   99.141   13.680   29.615   7.1403   17.379   9.8317   43.272   10.387   75.069   22.477  123.214   15.601 -48.14456 27.36096 
1 1 1   11   26   32 o   47.753   14.651   0.0260   7.1133  -3.5439   10.218   3.3833   9.9088   44.179   19.985   51.328   21.429 -7.149155 29.30191 
1 1 1   11   26   33 o   50.635   14.956   2.3829   7.0158   7.3865   10.128  -2.2334   9.7280   57.066   22.432   44.204   19.788 12.86199 29.91267 
1 1 1   11   26   34 o   66.332   16.222   13.151   7.1269   11.039   10.142   15.212   10.017   62.643   22.937   70.021   22.946 -7.378742 32.44405 
1 1 1   11   26   35 o   95.197   14.145   28.285   7.0294   25.802   10.312   30.440   9.6078   90.293   21.452  100.101   18.442 -9.808571 28.28904 
1 1 1   11   26   36 o   61.779   15.699   10.457   6.9355   15.689   9.9026   5.4194   9.7166   70.491   22.797   53.067   21.590 17.42420 31.39746 
1 1 1   11   26   37 o  103.932   13.242   32.698   7.1579   42.462   10.452   24.072   9.8232  120.720   16.022   87.144   21.089 33.57648 26.48443 
1 1 1   11   26   38 o   90.629   14.127   26.203   7.2473   12.626   10.134   40.415   10.369   64.227   23.010  117.031   16.396 -52.80349 28.25354 
1 1 1   11   26   39 o  146.479   9.7623   61.806   7.7227   64.468   11.126   59.331   10.728  149.544   13.769  143.414   13.843 6.130219 19.52453 
1 1 1   11   26   40 o   57.181   15.713   7.9271   7.1766   14.312   10.708   2.7213   9.6695   66.172   23.658   48.191   20.686 17.98048 31.42635 
1 1 1   11   26   41 o   56.541   17.543   4.9295   8.7733   8.5045   18.852   3.9411   9.9121   63.441   28.021   49.642   21.116 13.79856 35.08679 
1 1 1   11   26   42 o  122.291   19.904   47.027   13.153   0.0000   0.0000   47.027   13.153  ?   ?   122.291   19.904      ?      ? 
1 1 1   11   26   43 o  118.038   13.878   42.913   8.4419   31.380   11.100   58.739   13.002   97.207   21.683  138.870   17.327 -41.66309 27.75537 
1 1 1   11   26   44 o   73.470   15.529   19.364   6.9290   27.153   10.232   12.766   9.4167   86.814   21.833   60.127   22.088 26.68743 31.05792 
1 1 1   11   26   45 o   57.551   15.639   10.586   6.8776   15.010   10.403   7.1513   9.1665   63.893   23.255   51.209   20.917 12.68454 31.27820 
1 1 1   11   26   46 o   56.815   15.584   10.545   6.8323   13.126   10.181   8.4303   9.2155   60.640   22.835   52.991   21.213 7.649643 31.16761 
1 1 1   11   26   47 o   53.683   15.289   9.7659   6.8881   7.4188   10.527   11.523   9.1089   51.045   21.738   56.322   21.505 -5.276573 30.57795 
1 1 1   11   27    0 o  108.894   19.857   34.086   11.254   0.0000   0.0000   34.086   11.254  ?   ?   108.894   19.857      ?      ? 
1 1 1   11   27    1 o  179.637   13.457   88.598   13.063   0.0000   0.0000   88.598   13.063  ?   ?   179.637   13.457      ?      ? 
1 1 1   11   27    2 o  142.411   12.204   55.530   9.3912   0.0000   0.0000   55.530   9.3912  ?   ?   142.411   12.204      ?      ? 
1 1 1   11   27    3 o  158.505   10.053   68.505   8.6102   0.0000   0.0000   68.505   8.6102  ?   ?   158.505   10.053      ?      ? 
1 1 1   11   27    4 o  284.882   8.9357  220.885   13.756   0.0000   0.0000  220.885   13.756  ?   ?   284.882   8.9357      ?      ? 
1 1 1   11   27    5 o  214.736   9.2601  125.581   10.745   0.0000   0.0000  125.581   10.745  ?   ?   214.736   9.2601      ?      ? 
1 1 1   11   27    6 o  111.222   13.276   33.977   7.9787   0.0000   0.0000   33.977   7.9787  ?   ?   111.222   13.276      ?      ? 
1 1 1   11   27    7 o  190.878   8.9211   99.186   9.2015   0.0000   0.0000   99.186   9.2015  ?   ?   190.878   8.9211      ?      ? 
1 1 1   11   27    8 o   63.603   19.590   11.382   7.3959   0.0000   0.0000   11.382   7.3959  ?   ?    63.603   19.590      ?      ? 
1 1 1   11   27    9 o  138.212   10.501   52.171   7.8429   0.0000   0.0000   52.171   7.8429  ?   ?   138.212   10.501      ?      ? 
1 1 1   11   27   10 o  102.030   14.064   28.683   7.7541   0.0000   0.0000   28.683   7.7541  ?   ?   102.030   14.064      ?      ? 
1 1 1   11   27   11 o  252.459   13.952  175.632   19.033   0.0000   0.0000  175.632   19.033  ?   ?   252.459   13.952      ?      ? 
1 1 1   11   27   12 o  222.194   7.9179  134.270   9.5067   0.0000   0.0000  134.270   9.5067  ?   ?   222.194   7.9179      ?      ? 
1 1 1   11   27   13 o  123.366   11.663   41.733   7.7752   0.0000   0.0000   41.733   7.7752  ?   ?   123.366   11.663      ?      ? 
1 1 1   11   27   14 o  178.796   9.2672   87.229   8.9535   0.0000   0.0000   87.229   8.9535  ?   ?   178.796   9.2672      ?      ? 
1 1 1   11   27   15 o   52.840   19.359   6.5827   7.2264   0.0000   0.0000   6.5827   7.2264  ?   ?    52.840   19.359      ?      ? 
1 1 1   11   27   16 o  126.286   11.349   43.812   7.7446   0.0000   0.0000   43.812   7.7446  ?   ?   126.286   11.349      ?      ? 
1 1 1   11   27   17 o   48.310   18.493   4.7785   6.7463   0.0000   0.0000   4.7785   6.7463  ?   ?    48.310   18.493      ?      ? 
1 1 1   11   27   18 o  120.605   13.447   40.288   8.7638   0.0000   0.0000   40.288   8.7638  ?   ?   120.605   13.447      ?      ? 
1 1 1   11   27   19 o  151.663   13.314   63.728   10.911   0.0000   0.0000   63.728   10.911  ?   ?   151.663   13.314      ?      ? 
1 1 1   11   27   20 o   90.184   14.174   22.632   6.9075   0.0000   0.0000   22.632   6.9075  ?   ?    90.184   14.174      ?      ? 
1 1 1   11   27   21 o  198.692   8.0897  107.765   8.6856   0.0000   0.0000  107.765   8.6856  ?   ?   198.692   8.0897      ?      ? 
1 1 1   11   27   22 o   64.145   18.503   12.068   6.7676   0.0000   0.0000   12.068   6.7676  ?   ?    64.145   18.503      ?      ? 
1 1 1   11   27   23 o   87.121   15.848   22.017   7.1858   0.0000   0.0000   22.017   7.1858  ?   ?    87.121   15.848      ?      ? 
1 1 1   11   27   24 o  103.482   12.669   33.304   6.1263   25.946   11.033   36.583   7.3662   92.104   22.387  114.861   11.868 -22.75718 25.33851 
1 1 1   11   27   25 o  213.996   8.1561  129.320   8.5692  120.946   15.538  132.980   10.273  207.733   13.842  220.259   8.6310 -12.52676 16.31226 
1 1 1   11   27   26 o  291.820   7.3598  237.081   10.196  231.531   19.749  239.098   11.905  287.885   12.695  295.756   7.4492 -7.870819 14.71951 
1 1 1   11   27   27 o  217.339   8.4173  129.334   9.7544  145.676   15.379  118.334   12.617  228.304   12.466  206.373   11.314 21.93126 16.83468 
1 1 1   11   27   28 o   56.897   14.939   5.4487   7.0509   15.429   9.7905  -5.3052   10.163   71.241   22.629   42.553   19.510 28.68880 29.87783 
1 1 1   11   27   29 o   96.065   14.687   28.205   7.4180   33.569   10.796   23.407   10.210  105.418   19.675   86.713   21.811 18.70533 29.37373 
1 1 1   11   27   30 o   66.255   23.348   12.862   10.394   12.862   10.394   0.0000   0.0000   66.255   23.348  ?   ?       ?      ? 
1 1 1   11   27   31 o   66.677   16.506   13.190   7.4144   10.603   10.690   15.589   10.293   62.497   23.424   70.856   23.261 -8.358459 33.01191 
1 1 1   11   27   32 o  223.633   7.6916  139.700   9.2842  139.596   13.447  139.795   12.834  223.374   11.140  223.891   10.608 -0.5173340 15.38321 
1 1 1   11   27   33 o   66.150   14.645   10.971   7.1311   24.603   10.109  -2.5328   10.061   88.027   21.449   44.273   19.947 43.75473 29.29031 
1 1 1   11   27   34 o   73.934   22.826   17.474   10.034   0.0000   0.0000   17.474   10.034  ?   ?    73.934   22.826      ?      ? 
1 1 1   11   27   35 o   46.317   14.075  -1.3224   6.9611   7.2980   9.5440 -11.1207   10.175   55.301   21.764   37.333   17.853 17.96782 28.14919 
1 1 1   11   27   36 o   83.555   13.944   21.927   7.0512   8.2149   9.8709   36.216   10.076   56.718   22.190  110.393   16.891 -53.67519 27.88732 
1 1 1   11   27   37 o   81.436   15.230   21.528   7.0337   14.755   9.7495   28.881   10.157   67.664   22.656   95.207   20.360 -27.54359 30.45979 
1 1 1   11   27   38 o   61.426   16.142   11.781   7.1466   11.651   9.9510   11.920   10.270   61.131   22.662   61.722   22.994 -0.5908432 32.28455 
1 1 1   11   27   39 o   45.076   14.125  -2.6032   7.2068 -10.7381   9.8912   6.6019   10.522   36.198   17.387   53.954   22.266 -17.75538 28.25053 
1 1 1   11   27   40 f  110.377   13.637   39.116   7.7220   28.962   11.130   48.539   10.722   92.893   22.428  127.861   15.519 -34.96852 27.27342 
1 1 1   11   27   41 o   52.958   16.745  -1.1226   8.5114   12.457   17.005  -5.6619   9.8316   66.070   27.858   39.846   18.587 26.22400 33.48972 
1 1 1   11   27   42 o  115.674   12.365   43.153   7.7107   42.921   11.242   43.360   10.596  114.663   18.143  116.684   16.806 -2.021065 24.73054 
1 1 1   11   27   43 o   50.548   15.382   5.0878   7.7811   8.6043   9.9827  -0.3561   12.421   53.966   21.911   47.131   21.594 6.834579 30.76309 
1 1 1   11   27   44 o   48.205   14.630   4.0094   6.9761   7.9240   9.8419   0.0568   9.8896   52.790   21.631   43.620   19.703 9.170307 29.25915 
1 1 1   11   27   45 o   52.694   16.432   4.8905   8.5060  -0.6763   10.251   17.194   15.240   42.397   19.496   62.990   26.456 -20.59252 32.86361 
1 1 1   11   28    0 o  157.444   11.056   67.854   9.4065   0.0000   0.0000   67.854   9.4065  ?   ?   157.444   11.056      ?      ? 
1 1 1   11   28    1 o  250.005   11.215  171.163   15.151   0.0000   0.0000  171.163   15.151  ?   ?   250.005   11.215      ?      ? 
1 1 1   11   28    2 o  199.390   11.591  108.986   12.489   0.0000   0.0000  108.986   12.489  ?   ?   199.390   11.591      ?      ? 
1 1 1   11   28    3 o  216.964   10.914  128.854   12.795   0.0000   0.0000  128.854   12.795  ?   ?   216.964   10.914      ?      ? 
1 1 1   11   28    4 o  106.930   20.942   33.383   11.668   0.0000   0.0000   33.383   11.668  ?   ?   106.930   20.942      ?      ? 
1 1 1   11   28    5 f  160.102   14.918   71.017   12.907   0.0000   0.0000   71.017   12.907  ?   ?   160.102   14.918      ?      ? 
1 1 1   11   28    6 o  145.842   15.082   59.005   11.886   0.0000   0.0000   59.005   11.886  ?   ?   145.842   15.082      ?      ? 
1 1 1   11   28    7 o  157.378   14.616   68.655   12.430   0.0000   0.0000   68.655   12.430  ?   ?   157.378   14.616      ?      ? 
1 1 1   11   28    8 o   80.043   24.270   18.890   11.409   0.0000   0.0000   18.890   11.409  ?   ?    80.043   24.270      ?      ? 
1 1 1   11   28    9 o  169.555   10.476   78.779   9.5985   0.0000   0.0000   78.779   9.5985  ?   ?   169.555   10.476      ?      ? 
1 1 1   11   28   10 o  125.206   12.725   43.267   8.6096   0.0000   0.0000   43.267   8.6096  ?   ?   125.206   12.725      ?      ? 
1 1 1   11   28   11 o   34.618   16.025  -5.4689   7.0933   0.0000   0.0000  -5.4689   7.0933  ?   ?    34.618   16.025      ?      ? 
1 1 1   11   28   12 o  104.695   13.423   30.353   7.5940   0.0000   0.0000   30.353   7.5940  ?   ?   104.695   13.423      ?      ? 
1 1 1   11   28   13 o   48.622   19.140   4.2500   7.3835   0.0000   0.0000   4.2500   7.3835  ?   ?    48.622   19.140      ?      ? 
1 1 1   11   28   14 o  101.168   14.010   28.440   7.6592   0.0000   0.0000   28.440   7.6592  ?   ?   101.168   14.010      ?      ? 
1 1 1   11   28   15 o  127.978   11.471   45.120   7.9326   0.0000   0.0000   45.120   7.9326  ?   ?   127.978   11.471      ?      ? 
1 1 1   11   28   16 o  148.686   9.5870   60.585   7.7026   0.0000   0.0000   60.585   7.7026  ?   ?   148.686   9.5870      ?      ? 
1 1 1   11   28   17 o  190.751   8.2016   99.398   8.4538   0.0000   0.0000   99.398   8.4538  ?   ?   190.751   8.2016      ?      ? 
1 1 1   11   28   18 o   85.789   15.578   21.290   6.9557   0.0000   0.0000   21.290   6.9557  ?   ?    85.789   15.578      ?      ? 
1 1 1   11   28   19 o   47.784   18.421   4.7290   6.7254   0.0000   0.0000   4.7290   6.7254  ?   ?    47.784   18.421      ?      ? 
1 1 1   11   28   20 o  134.969   10.359   50.207   7.5555   0.0000   0.0000   50.207   7.5555  ?   ?   134.969   10.359      ?      ? 
1 1 1   11   28   21 o  191.267   8.4346  100.205   8.7175   0.0000   0.0000  100.205   8.7175  ?   ?   191.267   8.4346      ?      ? 
1 1 1   11   28   22 o  144.705   9.9174   57.726   7.7548   0.0000   0.0000   57.726   7.7548  ?   ?   144.705   9.9174      ?      ? 
1 1 1   11   28   23 o   90.420   14.078   23.048   6.8785   0.0000   0.0000   23.048   6.8785  ?   ?    90.420   14.078      ?      ? 
1 1 1   11   28   24 o  166.026   8.8006   75.761   7.8954   0.0000   0.0000   75.761   7.8954  ?   ?   166.026   8.8006      ?      ? 
1 1 1   11   28   25 o   65.122   15.447   10.653   5.9090   18.000   11.284   7.8772   6.9362   76.171   24.304   54.074   19.072 22.09737 30.89332 
1 1 1   11   28   26 o   69.958   15.029   15.139   6.0038   13.052   10.836   16.064   7.2121   67.079   23.818   72.837   18.337 -5.758148 30.05872 
1 1 1   11   28   27 o   70.027   15.387   13.920   5.9887   18.901   11.127   11.889   7.1057   77.205   24.070   62.849   19.175 14.35578 30.77359 
1 1 1   11   28   28 o   78.445   17.250   19.271   8.0390   23.649   12.421   16.115   10.546   85.049   25.219   71.840   23.543 13.20891 34.50044 
1 1 1   11   28   29 o  125.433   11.582   45.779   7.8467   47.216   11.087   44.336   11.107  127.567   16.084  123.300   16.671 4.266609 23.16438 
1 1 1   11   28   31 o   76.163   14.191   17.136   7.3017   32.930   10.235   0.7643   10.420  103.845   18.937   48.481   21.140 55.36384 28.38120 
1 1 1   11   28   32 o   40.726   13.324  -6.0489   6.9977  -2.6892   9.7051  -9.6870   10.099   43.227   19.522   38.225   18.139 5.001942 26.64836 
1 1 1   11   28   33 o   43.399   13.934  -5.3392   7.3567   2.7180   10.698 -12.5687   10.133   50.645   21.749   36.154   17.424 14.49112 27.86795 
1 1 1   11   28   34 o  127.810   11.330   48.289   7.7455   56.013   11.015   40.736   10.893  138.807   14.686  116.813   17.258 21.99424 22.66034 
1 1 1   11   28   35 o  130.429   10.963   50.126   7.7097   45.861   10.618   54.884   11.213  124.362   15.800  136.497   15.203 -12.13537 21.92613 
1 1 1   11   28   36 o  125.756   11.662   47.775   7.8960   42.659   10.868   53.495   11.491  118.209   17.014  133.303   15.953 -15.09412 23.32336 
1 1 1   11   28   37 o   67.245   16.412   14.811   7.2803   11.719   9.8511   18.532   10.807   61.257   22.579   73.232   23.825 -11.97452 32.82466 
1 1 1   11   28   38 o   84.819   15.606   25.082   7.7926   34.386   10.521   13.773   11.599  104.082   19.420   65.556   24.434 38.52539 31.21148 
1 1 1   11   28   39 o   48.829   15.884  -2.5065   8.5524  -4.9128   10.070   3.7207   16.200   40.715   18.932   56.943   25.510 -16.22716 31.76792 
1 1 1   11   28   40 o   55.633   17.273   7.5806   9.4853   4.1892   11.670   14.182   16.282   49.531   21.954   61.736   26.673 -12.20477 34.54591 
1 1 1   11   28   41 f   55.337   17.006   5.9966   9.3977   0.7383   12.219   13.613   14.705   48.016   21.775   62.658   26.128 -14.64215 34.01178 
1 1 1   11   28   42 o   48.273   22.650  -2.5743   14.958   0.0000   0.0000  -2.5743   14.958  ?   ?    48.273   22.650      ?      ? 
1 1 1   11   28   43 o   38.532   18.679 -10.4459   12.070 -10.4459   12.070   0.0000   0.0000   38.532   18.679  ?   ?       ?      ? 
1 1 1   11   29    0 o  260.628   8.2193  185.269   11.576   0.0000   0.0000  185.269   11.576  ?   ?   260.628   8.2193      ?      ? 
1 1 1   11   29    1 o   76.028   20.204   17.096   8.4423   0.0000   0.0000   17.096   8.4423  ?   ?    76.028   20.204      ?      ? 
1 1 1   11   29    2 o  117.664   12.260   38.203   7.7950   0.0000   0.0000   38.203   7.7950  ?   ?   117.664   12.260      ?      ? 
1 1 1   11   29    3 o  222.504   9.2731  135.402   11.149   0.0000   0.0000  135.402   11.149  ?   ?   222.504   9.2731      ?      ? 
1 1 1   11   29    4 o   68.686   19.599   13.820   7.6321   0.0000   0.0000   13.820   7.6321  ?   ?    68.686   19.599      ?      ? 
1 1 1   11   29    5 o  104.289   13.995   30.220   7.8869   0.0000   0.0000   30.220   7.8869  ?   ?   104.289   13.995      ?      ? 
1 1 1   11   29    6 o  342.374   12.515  323.990   23.154   0.0000   0.0000  323.990   23.154  ?   ?   342.374   12.515      ?      ? 
1 1 1   11   29    7 o   91.799   17.228   24.451   8.2320   0.0000   0.0000   24.451   8.2320  ?   ?    91.799   17.228      ?      ? 
1 1 1   11   29    8 o  259.042   14.875  187.408   20.822   0.0000   0.0000  187.408   20.822  ?   ?   259.042   14.875      ?      ? 
1 1 1   11   29    9 o   85.988   24.025   22.479   11.595   0.0000   0.0000   22.479   11.595  ?   ?    85.988   24.025      ?      ? 
1 1 1   11   29   10 o  136.771   16.706   52.822   12.347   0.0000   0.0000   52.822   12.347  ?   ?   136.771   16.706      ?      ? 
1 1 1   11   29   11 o   79.243   24.127   18.977   11.259   0.0000   0.0000   18.977   11.259  ?   ?    79.243   24.127      ?      ? 
1 1 1   11   29   12 o   91.248   23.069   25.475   11.381   0.0000   0.0000   25.475   11.381  ?   ?    91.248   23.069      ?      ? 
1 1 1   11   29   13 o  129.418   17.184   47.678   12.017   0.0000   0.0000   47.678   12.017  ?   ?   129.418   17.184      ?      ? 
1 1 1   11   29   14 o  143.250   16.044   58.087   12.419   0.0000   0.0000   58.087   12.419  ?   ?   143.250   16.044      ?      ? 
1 1 1   11   29   15 o   98.098   22.083   29.311   11.424   0.0000   0.0000   29.311   11.424  ?   ?    98.098   22.083      ?      ? 
1 1 1   11   29   16 o  162.391   13.959   73.937   12.249   0.0000   0.0000   73.937   12.249  ?   ?   162.391   13.959      ?      ? 
1 1 1   11   29   18 o  183.365   13.601   94.446   13.476   0.0000   0.0000   94.446   13.476  ?   ?   183.365   13.601      ?      ? 
1 1 1   11   29   19 o  143.232   16.297   58.686   12.613   0.0000   0.0000   58.686   12.613  ?   ?   143.232   16.297      ?      ? 
1 1 1   11   29   20 o  106.544   22.227   34.996   12.382   0.0000   0.0000   34.996   12.382  ?   ?   106.544   22.227      ?      ? 
1 1 1   11   29   21 f   97.852   22.926   29.925   11.910   0.0000   0.0000   29.925   11.910  ?   ?    97.852   22.926      ?      ? 
1 1 1   11   29   22 o   50.295   22.026   0.0343   11.422   0.0000   0.0000   0.0343   11.422  ?   ?    50.295   22.026      ?      ? 
1 1 1   11   29   25 o   66.089   24.676   12.398   11.840   0.0000   0.0000   12.398   11.840  ?   ?    66.089   24.676      ?      ? 
1 1 1   11   29   26 o   71.637   17.416   16.164   8.6059   21.473   11.169   8.4054   13.502   81.227   23.868   62.047   25.370 19.18035 34.83214 
1 1 1   11   29   27 o   68.931   17.763   12.742   8.6375   6.9302   11.055   21.851   13.840   57.071   23.097   80.791   26.994 -23.72069 35.52640 
1 1 1   11   29   28 o   68.538   17.969   14.058   8.7920   15.363   11.133   11.896   14.332   70.105   24.197   66.971   26.570 3.133728 35.93716 
1 1 1   11   29   29 o   82.774   18.457   23.383   9.3447   26.306   12.390   19.527   14.231   88.718   24.853   76.829   27.294 11.88885 36.91396 
1 1 1   11   29   30 o   64.580   17.742   10.803   8.7795   6.5248   11.243   17.486   14.054   56.107   23.070   73.053   26.961 -16.94591 35.48420 
1 1 1   11   29   31 o   82.106   17.521   23.701   9.0493   30.766   11.774   13.505   14.144   96.641   22.898   67.571   26.526 29.06991 35.04205 
1 1 1   11   29   32 o   61.203   17.846   9.1575   9.5411   10.417   12.634   7.4865   14.555   61.993   24.831   60.413   25.639 1.579929 35.69223 
1 1 1   11   29   33 o   50.694   15.803  -0.9320   9.2734   9.3536   12.064 -15.7860   14.498   59.025   24.040   42.362   20.520 16.66261 31.60669 
1 1 1   11   29   34 o  196.663   11.223  116.872   11.706  122.320   15.459  109.549   17.922  204.230   14.008  189.096   17.539 15.13396 22.44651 
1 1 1   11   29   35 o   80.362   18.535   23.507   10.356   33.761   13.688   9.7815   15.836   97.535   25.635   63.189   26.776 34.34567 37.06917 
1 1 1   11   29   36 o  142.484   14.383   62.971   10.920   55.811   14.084   73.761   17.291  133.378   19.542  151.590   21.108 -18.21225 28.76514 
1 1 1   11   29   37 o   52.058   16.632   2.7754   9.7106   3.1351   12.158   2.1417   16.138   50.317   22.350   53.800   24.636 -3.483582 33.26355 
1 1 1   11   29   38 o   61.502   17.663   13.184   10.202   22.568   13.316  -0.1493   15.874   72.584   26.327   50.421   23.553 22.16259 35.32502 
1 1 1   11   29   39 o   67.022   18.283   17.245   9.4945   19.428   12.063   13.691   15.393   70.902   25.135   63.143   26.558 7.759808 36.56635 
1 1 1   11   29   40 o   69.447   17.797   19.643   8.5419   24.077   13.126   16.385   11.250   74.547   26.242   64.348   24.048 10.19889 35.59400 
1 1 1   11   30    0 o  299.776   7.6144  244.731   11.712  258.108   20.209  237.967   14.372  304.946   12.264  294.605   9.0278 10.34097 15.22873 
1 1 1   11   30    1 o  112.948   12.898   35.512   7.8719   0.0000   0.0000   35.512   7.8719  ?   ?   112.948   12.898      ?      ? 
1 1 1   11   30    2 o   83.680   18.312   20.760   8.0504   0.0000   0.0000   20.760   8.0504  ?   ?    83.680   18.312      ?      ? 
1 1 1   11   30    3 o  186.099   10.431   95.445   10.489   0.0000   0.0000   95.445   10.489  ?   ?   186.099   10.431      ?      ? 
1 1 1   11   30    4 o  108.002   13.391   32.561   7.8148   0.0000   0.0000   32.561   7.8148  ?   ?   108.002   13.391      ?      ? 
1 1 1   11   30    5 o  137.332   11.251   52.155   8.3493   0.0000   0.0000   52.155   8.3493  ?   ?   137.332   11.251      ?      ? 
1 1 1   11   30    6 o   92.565   15.198   24.150   7.6019   0.0000   0.0000   24.150   7.6019  ?   ?    92.565   15.198      ?      ? 
1 1 1   11   30    7 o   57.068   19.628   8.8993   7.3224   0.0000   0.0000   8.8993   7.3224  ?   ?    57.068   19.628      ?      ? 
1 1 1   11   30    8 o  148.694   10.119   60.910   8.1304   0.0000   0.0000   60.910   8.1304  ?   ?   148.694   10.119      ?      ? 
1 1 1   11   30    9 o  111.447   12.917   34.654   7.7787   0.0000   0.0000   34.654   7.7787  ?   ?   111.447   12.917      ?      ? 
1 1 1   11   30   10 o   74.001   18.364   16.380   7.3087   0.0000   0.0000   16.380   7.3087  ?   ?    74.001   18.364      ?      ? 
1 1 1   11   30   11 o   44.312   18.250   2.4594   7.0500   0.0000   0.0000   2.4594   7.0500  ?   ?    44.312   18.250      ?      ? 
1 1 1   11   30   12 o  102.380   13.273   29.398   7.3430   0.0000   0.0000   29.398   7.3430  ?   ?   102.380   13.273      ?      ? 
1 1 1   11   30   13 o   27.890   13.601 -11.4582   6.6635   0.0000   0.0000 -11.4582   6.6635  ?   ?    27.890   13.601      ?      ? 
1 1 1   11   30   14 o  124.853   11.222   43.298   7.5712   0.0000   0.0000   43.298   7.5712  ?   ?   124.853   11.222      ?      ? 
1 1 1   11   30   15 o  179.018   9.2176   88.242   8.9166   0.0000   0.0000   88.242   8.9166  ?   ?   179.018   9.2176      ?      ? 
1 1 1   11   30   16 o  107.769   13.272   32.651   7.7290   0.0000   0.0000   32.651   7.7290  ?   ?   107.769   13.272      ?      ? 
1 1 1   11   30   17 o   82.165   17.559   20.210   7.5596   0.0000   0.0000   20.210   7.5596  ?   ?    82.165   17.559      ?      ? 
1 1 1   11   30   18 o  121.397   11.913   41.231   7.8147   0.0000   0.0000   41.231   7.8147  ?   ?   121.397   11.913      ?      ? 
1 1 1   11   30   19 o   88.572   15.856   23.129   7.3103   0.0000   0.0000   23.129   7.3103  ?   ?    88.572   15.856      ?      ? 
1 1 1   11   30   20 o  131.324   10.994   48.113   7.8018   0.0000   0.0000   48.113   7.8018  ?   ?   131.324   10.994      ?      ? 
1 1 1   11   30   21 o   98.594   14.115   27.729   7.5199   0.0000   0.0000   27.729   7.5199  ?   ?    98.594   14.115      ?      ? 
1 1 1   11   30   22 o   38.604   17.127  -1.2766   7.1186   0.0000   0.0000  -1.2766   7.1186  ?   ?    38.604   17.127      ?      ? 
1 1 1   11   30   23 o   40.294   17.769  -0.7946   7.5507   0.0000   0.0000  -0.7946   7.5507  ?   ?    40.294   17.769      ?      ? 
1 1 1   11   30   24 o   34.375   15.961  -5.0245   7.1168   0.0000   0.0000  -5.0245   7.1168  ?   ?    34.375   15.961      ?      ? 
1 1 1   11   30   25 o  107.397   13.271   32.834   7.7018   0.0000   0.0000   32.834   7.7018  ?   ?   107.397   13.271      ?      ? 
1 1 1   11   30   26 o  110.300   12.823   34.661   7.6429   0.0000   0.0000   34.661   7.6429  ?   ?   110.300   12.823      ?      ? 
1 1 1   11   30   27 o   64.459   13.887   4.9638   6.2429   29.144   11.346  -5.5351   7.4764   94.260   22.574   34.658   16.181 59.60176 27.77444 
1 1 1   11   30   28 o   54.005   15.181   5.3352   6.4391   12.250   11.020   1.7500   7.9347   63.884   23.815   44.126   18.834 19.75786 30.36216 
1 1 1   11   30   29 o   53.135   15.273   1.7889   6.6707   15.775   12.348  -3.9755   7.9270   69.121   25.308   37.150   17.105 31.97170 30.54688 
1 1 1   11   30   30 o   50.404   14.605   5.6551   6.1012   2.8604   11.309   6.8025   7.2462   50.514   22.024   50.294   19.186 0.2193604 29.20946 
1 1 1   11   30   31 o   48.037   14.917   1.5932   7.4257   1.9982   9.9538   1.0848   11.151   47.529   20.695   48.545   21.491 -1.015808 29.83497 
1 1 1   11   30   33 f  103.860   15.015   35.357   8.2746   42.881   11.673   27.758   11.731  118.061   18.297   89.658   23.812 28.40278 30.03039 
1 1 1   11   30   34 o   45.556   14.357  -2.3034   7.7686 -13.4635   11.478   7.1303   10.553   37.443   18.166   53.668   22.236 -16.22535 28.71302 
1 1 1   11   30   35 o   62.611   16.561   14.838   7.5924   12.169   10.502   17.759   10.989   58.302   22.866   66.920   23.962 -8.617443 33.12197 
1 1 1   11   30   36 o   55.998   16.391   8.9690   8.1022   11.331   11.854   6.8983   11.099   59.010   23.905   52.986   22.433 6.024807 32.78233 
1 1 1   11   30   37 o   98.415   17.802   44.065   12.960   8.3986   20.932   66.239   16.505   60.113   27.721  136.717   22.340 -76.60342 35.60303 
1 1 1   11   30   38 o   55.437   17.668   6.8989   12.106 -10.2297   19.986   16.824   15.214   48.134   23.490   62.741   26.397 -14.60711 35.33536 
1 1 1   11   31    0 o  100.048   15.051   28.402   8.1370   0.0000   0.0000   28.402   8.1370  ?   ?   100.048   15.051      ?      ? 
1 1 1   11   31    1 f   71.381   19.438   15.426   7.7002   0.0000   0.0000   15.426   7.7002  ?   ?    71.381   19.438      ?      ? 
1 1 1   11   31    2 o  129.387   11.880   46.651   8.3060   0.0000   0.0000   46.651   8.3060  ?   ?   129.387   11.880      ?      ? 
1 1 1   11   31    3 o  126.894   12.029   44.907   8.2485   0.0000   0.0000   44.907   8.2485  ?   ?   126.894   12.029      ?      ? 
1 1 1   11   31    4 o  102.624   13.642   29.635   7.5651   0.0000   0.0000   29.635   7.5651  ?   ?   102.624   13.642      ?      ? 
1 1 1   11   31    5 o  180.723   9.0304   89.852   8.8187   0.0000   0.0000   89.852   8.8187  ?   ?   180.723   9.0304      ?      ? 
1 1 1   11   31    6 o   56.308   20.006   8.5438   7.6458   0.0000   0.0000   8.5438   7.6458  ?   ?    56.308   20.006      ?      ? 
1 1 1   11   31    7 o   95.455   14.678   25.821   7.5712   0.0000   0.0000   25.821   7.5712  ?   ?    95.455   14.678      ?      ? 
1 1 1   11   31    8 o   73.142   18.135   16.109   7.1323   0.0000   0.0000   16.109   7.1323  ?   ?    73.142   18.135      ?      ? 
1 1 1   11   31    9 o  104.261   13.415   30.608   7.5580   0.0000   0.0000   30.608   7.5580  ?   ?   104.261   13.415      ?      ? 
1 1 1   11   31   10 o  122.540   11.715   41.910   7.7572   0.0000   0.0000   41.910   7.7572  ?   ?   122.540   11.715      ?      ? 
1 1 1   11   31   11 o   99.705   13.649   28.097   7.3540   0.0000   0.0000   28.097   7.3540  ?   ?    99.705   13.649      ?      ? 
1 1 1   11   31   12 o   34.450   15.911  -4.6224   6.9355   0.0000   0.0000  -4.6224   6.9355  ?   ?    34.450   15.911      ?      ? 
1 1 1   11   31   13 o   68.925   19.333   14.539   7.4923   0.0000   0.0000   14.539   7.4923  ?   ?    68.925   19.333      ?      ? 
1 1 1   11   31   14 o   52.523   19.502   7.0129   7.3752   0.0000   0.0000   7.0129   7.3752  ?   ?    52.523   19.502      ?      ? 
1 1 1   11   31   15 o  117.680   12.309   38.974   7.8274   0.0000   0.0000   38.974   7.8274  ?   ?   117.680   12.309      ?      ? 
1 1 1   11   31   16 o   93.130   14.985   24.924   7.5413   0.0000   0.0000   24.924   7.5413  ?   ?    93.130   14.985      ?      ? 
1 1 1   11   31   17 o   86.801   16.531   22.552   7.4707   0.0000   0.0000   22.552   7.4707  ?   ?    86.801   16.531      ?      ? 
1 1 1   11   31   18 o   66.760   19.283   13.777   7.3461   0.0000   0.0000   13.777   7.3461  ?   ?    66.760   19.283      ?      ? 
1 1 1   11   31   19 o   89.690   16.155   23.974   7.5417   0.0000   0.0000   23.974   7.5417  ?   ?    89.690   16.155      ?      ? 
1 1 1   11   31   20 o   37.042   16.674  -2.2881   7.0116   0.0000   0.0000  -2.2881   7.0116  ?   ?    37.042   16.674      ?      ? 
1 1 1   11   31   21 o  115.305   12.002   37.527   7.4782   0.0000   0.0000   37.527   7.4782  ?   ?   115.305   12.002      ?      ? 
1 1 1   11   31   22 o   64.126   19.411   12.814   7.3028   0.0000   0.0000   12.814   7.3028  ?   ?    64.126   19.411      ?      ? 
1 1 1   11   31   23 o   95.032   15.332   26.408   7.8735   0.0000   0.0000   26.408   7.8735  ?   ?    95.032   15.332      ?      ? 
1 1 1   11   31   24 o   80.831   17.659   20.181   7.4973   0.0000   0.0000   20.181   7.4973  ?   ?    80.831   17.659      ?      ? 
1 1 1   11   31   25 o   39.448   17.330  -0.2267   7.1191   0.0000   0.0000  -0.2267   7.1191  ?   ?    39.448   17.330      ?      ? 
1 1 1   11   31   26 o  131.802   11.512   49.604   8.1987   0.0000   0.0000   49.604   8.1987  ?   ?   131.802   11.512      ?      ? 
1 1 1   11   31   27 o   41.733   17.927   1.5514   7.2725   0.0000   0.0000   1.5514   7.2725  ?   ?    41.733   17.927      ?      ? 
1 1 1   11   31   28 o   40.924   13.390  -4.4995   6.4259  -0.6536   11.414  -6.2839   7.7751   47.415   21.315   34.434   16.211 12.98144 26.77932 
1 1 1   11   31   29 o  116.743   13.888   58.346   8.0430   10.500   13.848   82.704   9.8805   62.473   25.635  171.012   10.692 -108.5390 27.77563 
1 1 1   11   31   30 o   44.653   14.329  -4.9610   6.8999   6.4662   12.609  -9.8459   8.2439   56.432   23.902   32.874   15.811 23.55777 28.65819 
1 1 1   11   31   31 o   97.429   14.669   28.869   7.0485   43.671   12.997   22.700   8.3895  112.240   22.215   82.618   19.164 29.62210 29.33829 
1 1 1   11   31   32 o   99.445   20.301   44.136   10.914   48.378   23.139   42.922   12.378   89.802   34.279  109.089   21.761 -19.28687 40.60281 
1 1 1   11   31   33 f   72.530   21.328   21.969   13.387   32.928   22.028   15.552   16.857   80.034   32.528   65.025   27.594 15.00908 42.65545 
1 1 1   11   31   34 o   50.758   17.126  -5.7858   13.055 -13.4234   21.377  -1.2437   16.486   50.215   24.459   51.301   23.977 -1.086342 34.25162 
1 1 1   11   31   35 o   47.763   16.344  -7.7593   12.851 -14.8896   21.096  -3.5518   16.205   47.593   23.412   47.933   22.813 -0.3404236 32.68839 
1 1 1   11   32    0 o   53.966   20.190   7.3576   7.9345   0.0000   0.0000   7.3576   7.9345  ?   ?    53.966   20.190      ?      ? 
1 1 1   11   32    1 o  135.726   11.019   51.370   8.0815   0.0000   0.0000   51.370   8.0815  ?   ?   135.726   11.019      ?      ? 
1 1 1   11   32    2 o  122.646   12.221   42.254   8.0994   0.0000   0.0000   42.254   8.0994  ?   ?   122.646   12.221      ?      ? 
1 1 1   11   32    3 o   72.722   19.093   16.237   7.5984   0.0000   0.0000   16.237   7.5984  ?   ?    72.722   19.093      ?      ? 
1 1 1   11   32    4 o   55.816   20.003   8.5332   7.6593   0.0000   0.0000   8.5332   7.6593  ?   ?    55.816   20.003      ?      ? 
1 1 1   11   32    5 o   74.539   19.104   17.091   7.7303   0.0000   0.0000   17.091   7.7303  ?   ?    74.539   19.104      ?      ? 
1 1 1   11   32    6 o   72.344   19.088   16.110   7.5704   0.0000   0.0000   16.110   7.5704  ?   ?    72.344   19.088      ?      ? 
1 1 1   11   32    7 o  103.475   14.226   30.565   7.9541   0.0000   0.0000   30.565   7.9541  ?   ?   103.475   14.226      ?      ? 
1 1 1   11   32    8 o  120.988   11.874   41.135   7.7630   0.0000   0.0000   41.135   7.7630  ?   ?   120.988   11.874      ?      ? 
1 1 1   11   32    9 o  108.727   13.372   33.595   7.8561   0.0000   0.0000   33.595   7.8561  ?   ?   108.727   13.372      ?      ? 
1 1 1   11   32   10 o   73.950   18.350   16.815   7.2980   0.0000   0.0000   16.815   7.2980  ?   ?    73.950   18.350      ?      ? 
1 1 1   11   32   11 o   74.958   18.814   17.374   7.6087   0.0000   0.0000   17.374   7.6087  ?   ?    74.958   18.814      ?      ? 
1 1 1   11   32   12 o   47.396   18.881   4.4633   7.2642   0.0000   0.0000   4.4633   7.2642  ?   ?    47.396   18.881      ?      ? 
1 1 1   11   32   13 o   86.913   16.486   22.621   7.4594   0.0000   0.0000   22.621   7.4594  ?   ?    86.913   16.486      ?      ? 
1 1 1   11   32   14 o   73.309   18.971   16.646   7.5730   0.0000   0.0000   16.646   7.5730  ?   ?    73.309   18.971      ?      ? 
1 1 1   11   32   15 o   54.838   19.826   8.2890   7.5433   0.0000   0.0000   8.2890   7.5433  ?   ?    54.838   19.826      ?      ? 
1 1 1   11   32   16 f  167.546   9.6024   78.086   8.6936   0.0000   0.0000   78.086   8.6936  ?   ?   167.546   9.6024      ?      ? 
1 1 1   11   32   17 o   59.375   20.191   10.634   7.7449   0.0000   0.0000   10.634   7.7449  ?   ?    59.375   20.191      ?      ? 
1 1 1   11   32   18 o   45.156   18.715   3.0838   7.4787   0.0000   0.0000   3.0838   7.4787  ?   ?    45.156   18.715      ?      ? 
1 1 1   11   32   19 o   44.431   18.467   2.8436   7.3116   0.0000   0.0000   2.8436   7.3116  ?   ?    44.431   18.467      ?      ? 
1 1 1   11   32   20 o  125.310   11.460   44.446   7.7602   0.0000   0.0000   44.446   7.7602  ?   ?   125.310   11.460      ?      ? 
1 1 1   11   32   21 o   50.689   19.125   6.8479   7.1504   0.0000   0.0000   6.8479   7.1504  ?   ?    50.689   19.125      ?      ? 
1 1 1   11   32   22 o   41.072   17.698   1.2570   7.1296   0.0000   0.0000   1.2570   7.1296  ?   ?    41.072   17.698      ?      ? 
1 1 1   11   32   23 o   61.731   20.402   12.359   7.9132   0.0000   0.0000   12.359   7.9132  ?   ?    61.731   20.402      ?      ? 
1 1 1   11   32   24 o   73.207   19.440   17.393   7.8193   0.0000   0.0000   17.393   7.8193  ?   ?    73.207   19.440      ?      ? 
1 1 1   11   32   25 o   75.400   20.255   18.577   8.4281   0.0000   0.0000   18.577   8.4281  ?   ?    75.400   20.255      ?      ? 
1 1 1   11   32   26 o   28.010   13.933 -18.3337   8.2667   0.0000   0.0000 -18.3337   8.2667  ?   ?    28.010   13.933      ?      ? 
1 1 1   11   32   27 o   58.951   22.724   10.625   10.234   0.0000   0.0000   10.625   10.234  ?   ?    58.951   22.724      ?      ? 
1 1 1   11   32   28 o  118.177   16.175   43.985   10.329   0.0000   0.0000   43.985   10.329  ?   ?   118.177   16.175      ?      ? 
1 1 1   11   32   29 o   36.995   17.604  -6.8444   9.6421   0.0000   0.0000  -6.8444   9.6421  ?   ?    36.995   17.604      ?      ? 
1 1 1   11   32   30 o   44.289   19.387   1.9786   8.8394   0.0000   0.0000   1.9786   8.8394  ?   ?    44.289   19.387      ?      ? 
1 1 1   11   32   31 o   42.828   19.231   0.4496   9.2617   0.0000   0.0000   0.4496   9.2617  ?   ?    42.828   19.231      ?      ? 
1 1 1   11   32   32 o   74.814   15.415   23.804   7.4393   11.977   13.400   29.073   8.9443   57.715   24.551   91.913   18.646 -34.19783 30.82912 
1 1 1   11   33    0 o  129.650   12.309   47.460   8.6234   0.0000   0.0000   47.460   8.6234  ?   ?   129.650   12.309      ?      ? 
1 1 1   11   33    1 o   71.713   18.874   15.910   7.4137   0.0000   0.0000   15.910   7.4137  ?   ?    71.713   18.874      ?      ? 
1 1 1   11   33    2 o   47.156   19.171   3.8658   7.6542   0.0000   0.0000   3.8658   7.6542  ?   ?    47.156   19.171      ?      ? 
1 1 1   11   33    3 f  123.539   12.163   43.059   8.1196   0.0000   0.0000   43.059   8.1196  ?   ?   123.539   12.163      ?      ? 
1 1 1   11   33    4 o   47.693   19.011   4.5321   7.3692   0.0000   0.0000   4.5321   7.3692  ?   ?    47.693   19.011      ?      ? 
1 1 1   11   33    5 f   68.071   19.576   14.407   7.5858   0.0000   0.0000   14.407   7.5858  ?   ?    68.071   19.576      ?      ? 
1 1 1   11   33    6 o   33.730   15.822  -6.1775   7.2915   0.0000   0.0000  -6.1775   7.2915  ?   ?    33.730   15.822      ?      ? 
1 1 1   11   33    7 f   46.104   18.925   3.4271   7.5500   0.0000   0.0000   3.4271   7.5500  ?   ?    46.104   18.925      ?      ? 
1 1 1   11   33    8 o   46.011   18.613   3.8767   7.1764   0.0000   0.0000   3.8767   7.1764  ?   ?    46.011   18.613      ?      ? 
1 1 1   11   33    9 o  108.945   13.420   34.014   7.9002   0.0000   0.0000   34.014   7.9002  ?   ?   108.945   13.420      ?      ? 
1 1 1   11   33   10 o   63.735   19.810   12.703   7.5434   0.0000   0.0000   12.703   7.5434  ?   ?    63.735   19.810      ?      ? 
1 1 1   11   33   11 o   66.502   19.636   13.958   7.5432   0.0000   0.0000   13.958   7.5432  ?   ?    66.502   19.636      ?      ? 
1 1 1   11   33   12 o   58.646   19.843   10.411   7.4798   0.0000   0.0000   10.411   7.4798  ?   ?    58.646   19.843      ?      ? 
1 1 1   11   33   13 o   97.674   15.471   27.959   8.1655   0.0000   0.0000   27.959   8.1655  ?   ?    97.674   15.471      ?      ? 
1 1 1   11   33   14 f   88.662   17.129   24.077   7.9093   0.0000   0.0000   24.077   7.9093  ?   ?    88.662   17.129      ?      ? 
1 1 1   11   33   15 o  118.956   12.840   40.687   8.2534   0.0000   0.0000   40.687   8.2534  ?   ?   118.956   12.840      ?      ? 
1 1 1   11   33   16 o   82.535   18.316   21.619   7.9554   0.0000   0.0000   21.619   7.9554  ?   ?    82.535   18.316      ?      ? 
1 1 1   11   33   17 o  125.526   12.643   45.616   8.5756   0.0000   0.0000   45.616   8.5756  ?   ?   125.526   12.643      ?      ? 
1 1 1   11   33   18 o   51.875   19.818   7.3708   7.7380   0.0000   0.0000   7.3708   7.7380  ?   ?    51.875   19.818      ?      ? 
1 1 1   11   33   19 f   33.955   16.035  -6.6373   7.7130   0.0000   0.0000  -6.6373   7.7130  ?   ?    33.955   16.035      ?      ? 
1 1 1   11   33   20 o  128.381   12.926   47.605   8.9669   0.0000   0.0000   47.605   8.9669  ?   ?   128.381   12.926      ?      ? 
1 1 1   11   33   21 f  225.778   10.480  143.879   12.785   0.0000   0.0000  143.879   12.785  ?   ?   225.778   10.480      ?      ? 
1 1 1   11   33   22 o   78.036   22.324   20.696   9.8892   0.0000   0.0000   20.696   9.8892  ?   ?    78.036   22.324      ?      ? 
1 1 1   11   33   23 o   42.408   19.196  -1.3293   9.4449   0.0000   0.0000  -1.3293   9.4449  ?   ?    42.408   19.196      ?      ? 
1 1 1   11   33   24 o   63.296   22.328   14.793   9.5073   0.0000   0.0000   14.793   9.5073  ?   ?    63.296   22.328      ?      ? 
1 1 1   11   33   25 o   70.860   23.835   19.799   10.791   0.0000   0.0000   19.799   10.791  ?   ?    70.860   23.835      ?      ? 
1 1 1   11   33   26 o   42.907   19.136   0.5423   9.0060   0.0000   0.0000   0.5423   9.0060  ?   ?    42.907   19.136      ?      ? 
1 1 1   11   33   27 o   34.164   16.015  -4.7133   7.4489   0.0000   0.0000  -4.7133   7.4489  ?   ?    34.164   16.015      ?      ? 
1 1 1   11   33   28 o  117.051   13.347   41.636   8.4423   0.0000   0.0000   41.636   8.4423  ?   ?   117.051   13.347      ?      ? 
1 1 1   11   33   29 o   51.631   19.591   8.9431   7.5293   0.0000   0.0000   8.9431   7.5293  ?   ?    51.631   19.591      ?      ? 
1 1 1   11   34    0 o  122.503   12.087   42.700   8.0011   0.0000   0.0000   42.700   8.0011  ?   ?   122.503   12.087      ?      ? 
1 1 1   11   34    1 o   50.364   19.909   5.8299   8.0200   0.0000   0.0000   5.8299   8.0200  ?   ?    50.364   19.909      ?      ? 
1 1 1   11   34    2 o   37.508   16.953  -2.3082   7.3352   0.0000   0.0000  -2.3082   7.3352  ?   ?    37.508   16.953      ?      ? 
1 1 1   11   34    3 f   57.692   20.328   9.9716   7.8780   0.0000   0.0000   9.9716   7.8780  ?   ?    57.692   20.328      ?      ? 
1 1 1   11   34    4 o   62.490   20.178   12.342   7.7606   0.0000   0.0000   12.342   7.7606  ?   ?    62.490   20.178      ?      ? 
1 1 1   11   34    5 o   58.129   20.378   10.296   7.9106   0.0000   0.0000   10.296   7.9106  ?   ?    58.129   20.378      ?      ? 
1 1 1   11   34    6 o   75.965   19.145   18.535   7.8560   0.0000   0.0000   18.535   7.8560  ?   ?    75.965   19.145      ?      ? 
1 1 1   11   34    7 o  102.422   14.610   30.911   8.0860   0.0000   0.0000   30.911   8.0860  ?   ?   102.422   14.610      ?      ? 
1 1 1   11   34    8 o   88.719   17.044   24.505   7.8743   0.0000   0.0000   24.505   7.8743  ?   ?    88.719   17.044      ?      ? 
1 1 1   11   34    9 o   40.179   17.866  -0.5492   7.7890   0.0000   0.0000  -0.5492   7.7890  ?   ?    40.179   17.866      ?      ? 
1 1 1   11   34   10 f   98.329   15.724   29.027   8.3550   0.0000   0.0000   29.027   8.3550  ?   ?    98.329   15.724      ?      ? 
1 1 1   11   34   11 o   37.903   17.376  -3.2571   8.0586   0.0000   0.0000  -3.2571   8.0586  ?   ?    37.903   17.376      ?      ? 
1 1 1   11   34   12 o   49.799   20.405   5.1760   8.7581   0.0000   0.0000   5.1760   8.7581  ?   ?    49.799   20.405      ?      ? 
1 1 1   11   34   13 o   92.079   22.108   28.399   10.861   0.0000   0.0000   28.399   10.861  ?   ?    92.079   22.108      ?      ? 
1 1 1   11   34   14 o   42.867   19.575  -3.0330   10.095   0.0000   0.0000  -3.0330   10.095  ?   ?    42.867   19.575      ?      ? 
1 1 1   11   34   15 o   69.916   23.662   16.464   10.636   0.0000   0.0000   16.464   10.636  ?   ?    69.916   23.662      ?      ? 
1 1 1   11   34   16 o   41.160   19.044  -4.6794   10.002   0.0000   0.0000  -4.6794   10.002  ?   ?    41.160   19.044      ?      ? 
1 1 1   11   34   17 o   67.034   22.989   15.278   10.041   0.0000   0.0000   15.278   10.041  ?   ?    67.034   22.989      ?      ? 
1 1 1   11   34   18 o   92.386   21.224   29.390   10.373   0.0000   0.0000   29.390   10.373  ?   ?    92.386   21.224      ?      ? 
1 1 1   11   34   19 o   40.041   18.525  -2.6742   9.4589   0.0000   0.0000  -2.6742   9.4589  ?   ?    40.041   18.525      ?      ? 
1 1 1   11   34   20 o   80.593   21.152   23.609   9.3280   0.0000   0.0000   23.609   9.3280  ?   ?    80.593   21.152      ?      ? 
1 1 1   11   34   21 o   36.142   16.640  -2.7955   7.4990   0.0000   0.0000  -2.7955   7.4990  ?   ?    36.142   16.640      ?      ? 
1 1 1   11   34   22 o  128.750   12.320   48.711   8.5711   0.0000   0.0000   48.711   8.5711  ?   ?   128.750   12.320      ?      ? 
1 1 1   11   34   23 o   42.882   18.423   2.7823   7.6820   0.0000   0.0000   2.7823   7.6820  ?   ?    42.882   18.423      ?      ? 
1 1 1   11   34   24 o   81.935   18.389   23.044   7.9416   0.0000   0.0000   23.044   7.9416  ?   ?    81.935   18.389      ?      ? 
1 1 1   11   35    0 o  127.178   17.313   49.068   11.898   0.0000   0.0000   49.068   11.898  ?   ?   127.178   17.313      ?      ? 
1 1 1   11   35    1 o  105.497   21.451   36.451   11.812   0.0000   0.0000   36.451   11.812  ?   ?   105.497   21.451      ?      ? 
1 1 1   11   35    2 o  107.281   21.171   37.482   11.837   0.0000   0.0000   37.482   11.837  ?   ?   107.281   21.171      ?      ? 
1 1 1   11   35    3 o   48.237   21.474   0.2306   11.286   0.0000   0.0000   0.2306   11.286  ?   ?    48.237   21.474      ?      ? 
1 1 1   11   35    5 o  103.086   19.689   33.892   10.568   0.0000   0.0000   33.892   10.568  ?   ?   103.086   19.689      ?      ? 
1 1 1   11   35    6 o   49.735   21.691   2.2361   10.976   0.0000   0.0000   2.2361   10.976  ?   ?    49.735   21.691      ?      ? 
1 1 1   11   35    7 o   48.704   21.493   1.2297   11.068   0.0000   0.0000   1.2297   11.068  ?   ?    48.704   21.493      ?      ? 
1 1 1   11   35    8 o   51.179   21.819   4.2733   10.627   0.0000   0.0000   4.2733   10.627  ?   ?    51.179   21.819      ?      ? 
1 1 1   11   35    9 o   36.884   17.633  -9.5142   9.9104   0.0000   0.0000  -9.5142   9.9104  ?   ?    36.884   17.633      ?      ? 
1 1 1   11   35   10 o   64.195   23.464   14.296   10.607   0.0000   0.0000   14.296   10.607  ?   ?    64.195   23.464      ?      ? 
1 1 1   11   35   11 o   47.686   20.362   4.3253   9.2820   0.0000   0.0000   4.3253   9.2820  ?   ?    47.686   20.362      ?      ? 
1 1 1   11   35   12 o   36.818   16.914  -2.2566   7.6913   0.0000   0.0000  -2.2566   7.6913  ?   ?    36.818   16.914      ?      ? 
1 1 1   11   35   13 o   47.684   19.355   6.1762   7.7877   0.0000   0.0000   6.1762   7.7877  ?   ?    47.684   19.355      ?      ? 
1 1 1   11   35   14 o   75.768   19.403   19.907   7.9787   0.0000   0.0000   19.907   7.9787  ?   ?    75.768   19.403      ?      ? 
1 1 1   11   35   15 o   40.854   17.969   0.9878   7.6749   0.0000   0.0000   0.9878   7.6749  ?   ?    40.854   17.969      ?      ? 
1 1 1   11   35   16 o   79.022   18.790   20.884   7.9059   0.0000   0.0000   20.884   7.9059  ?   ?    79.022   18.790      ?      ? 
1 1 1   11   35   17 o  100.039   14.975   30.689   8.0953   0.0000   0.0000   30.689   8.0953  ?   ?   100.039   14.975      ?      ? 
1 1 1   11   35   18 o   66.662   20.604   16.101   8.1731   0.0000   0.0000   16.101   8.1731  ?   ?    66.662   20.604      ?      ? 
1 1 1   11   35   19 o   39.244   17.711  -0.0973   7.9704   0.0000   0.0000  -0.0973   7.9704  ?   ?    39.244   17.711      ?      ? 
1 1 1   11   36    0 o   55.925   20.676   10.447   8.2721   0.0000   0.0000   10.447   8.2721  ?   ?    55.925   20.676      ?      ? 
1 1 1   11   36    1 o   52.149   20.157   8.3361   8.0699   0.0000   0.0000   8.3361   8.0699  ?   ?    52.149   20.157      ?      ? 
1 1 1   11   36    2 o   40.048   17.825   0.2444   7.7713   0.0000   0.0000   0.2444   7.7713  ?   ?    40.048   17.825      ?      ? 
1 1 1   11   36    3 o   54.158   20.097   9.4037   7.8296   0.0000   0.0000   9.4037   7.8296  ?   ?    54.158   20.097      ?      ? 
1 1 1   11   36    4 o   58.937   20.326   11.790   7.8545   0.0000   0.0000   11.790   7.8545  ?   ?    58.937   20.326      ?      ? 
1 1 1   11   36    5 f   44.100   18.759   3.1670   7.8228   0.0000   0.0000   3.1670   7.8228  ?   ?    44.100   18.759      ?      ? 
1 1 1   11   36    6 o   62.303   20.281   13.352   7.8304   0.0000   0.0000   13.352   7.8304  ?   ?    62.303   20.281      ?      ? 
1 1 1   11   36    7 o   32.228   15.502  -8.6719   7.9292   0.0000   0.0000  -8.6719   7.9292  ?   ?    32.228   15.502      ?      ? 
1 1 1   11   36    8 o   38.760   17.547  -1.1619   7.8949   0.0000   0.0000  -1.1619   7.8949  ?   ?    38.760   17.547      ?      ? 
1 1 1   11   36    9 o   77.828   19.277   20.815   8.0647   0.0000   0.0000   20.815   8.0647  ?   ?    77.828   19.277      ?      ? 
1 1 1   11   36   10 o   39.171   17.556   0.0228   7.6816   0.0000   0.0000   0.0228   7.6816  ?   ?    39.171   17.556      ?      ? 
1 1 1   11   36   11 o   60.933   20.602   13.542   8.0625   0.0000   0.0000   13.542   8.0625  ?   ?    60.933   20.602      ?      ? 
1 1 1   11   36   12 o  106.807   14.644   35.684   8.4520   0.0000   0.0000   35.684   8.4520  ?   ?   106.807   14.644      ?      ? 
1 1 1   11   36   13 o   32.270   15.512  -7.5768   7.9093   0.0000   0.0000  -7.5768   7.9093  ?   ?    32.270   15.512      ?      ? 
1 1 1   12    0    0 o  884.337   10.671  2116.10   72.065  2116.10   72.065  2116.10   72.065  884.337   15.090  884.337   15.090 0.000000 0.000000 
1 1 1   12    0    1 o  1021.79   12.257  2825.60   95.644  2825.60   95.644  2825.60   95.644  1021.79   17.334  1021.79   17.334 0.000000 0.000000 
1 1 1   12    0    2 f  598.520   7.4313  969.060   33.966  969.060   33.966  969.060   33.966  598.520   10.509  598.520   10.509 0.000000 0.000000 
1 1 1   12    0    3 o  1512.24   17.960  6195.67  207.423  6195.67  207.423  6195.67  207.423  1512.24   25.399  1512.24   25.399 0.000000 0.000000 
1 1 1   12    0    4 o  733.721   8.9562  1456.56   50.184  1456.56   50.184  1456.56   50.184  733.721   12.666  733.721   12.666 0.000000 0.000000 
1 1 1   12    0    5 o  1287.90   15.347  4492.89  150.953  4492.89  150.953  4492.89  150.953  1287.90   21.705  1287.90   21.705 0.000000 0.000000 
1 1 1   12    0    6 o  1029.62   12.352  2870.37   97.123  2870.37   97.123  2870.37   97.123  1029.62   17.468  1029.62   17.468 0.000000 0.000000 
1 1 1   12    0    7 o  391.386   5.2252  414.425   15.616  414.425   15.616  414.425   15.616  391.386   7.3896  391.386   7.3896 0.000000 0.000000 
1 1 1   12    0    8 o  248.802   3.9531  167.530   7.5076  167.530   7.5076  167.530   7.5076  248.802   5.5906  248.802   5.5906 0.000000 0.000000 
1 1 1   12    0    9 o  121.053   3.6810   39.817   3.3909   39.817   3.3909   39.817   3.3909  121.053   5.2057  121.053   5.2057 0.000000 0.000000 
1 1 1   12    0   10 o  266.189   4.1380  191.755   8.4084  191.755   8.4084  191.755   8.4084  266.189   5.8521  266.189   5.8521 0.000000 0.000000 
1 1 1   12    0   11 o  767.660   9.3660  1595.21   54.908  1595.21   54.908  1595.21   54.908  767.660   13.245  767.660   13.245 0.000000 0.000000 
1 1 1   12    0   12 o  508.565   6.4828  699.824   25.176  699.824   25.176  699.824   25.176  508.565   9.1680  508.565   9.1680 0.000000 0.000000 
1 1 1   12    0   16 o   55.625   6.1021   8.9454   2.4080   8.9454   2.4080   8.9454   2.4080   55.625   8.6297   55.625   8.6297 0.000000 0.000000 
1 1 1   12    0   17 o  290.668   4.3260  228.637   9.5996  228.637   9.5996  228.637   9.5996  290.668   6.1179  290.668   6.1179 0.000000 0.000000 
1 1 1   12    0   18 o  173.096   3.6350   81.181   4.7988   81.181   4.7988   81.181   4.7988  173.096   5.1407  173.096   5.1407 0.000000 0.000000 
1 1 1   12    0   19 f  535.541   6.7985  776.114   27.803  776.114   27.803  776.114   27.803  535.541   9.6146  535.541   9.6146 0.000000 0.000000 
1 1 1   12    0   20 o   55.940   7.3773   9.2906   2.8319   9.2906   2.8319   9.2906   2.8319   55.940   10.433   55.940   10.433 0.000000 0.000000 
1 1 1   12    0   21 o  531.039   9.5600  764.189   38.739  764.189   38.739  764.189   38.739  531.039   13.520  531.039   13.520 0.000000 0.000000 
1 1 1   12    0   22 o  264.272   4.2777  189.028   8.6288  189.028   8.6288  189.028   8.6288  264.272   6.0496  264.272   6.0496 0.000000 0.000000 
1 1 1   12    0   23 o  761.769   13.221  1573.42   76.860  1573.42   76.860  1573.42   76.860  761.769   18.697  761.769   18.697 0.000000 0.000000 
1 1 1   12    0   24 o   95.553   4.9870   25.075   3.5959   25.075   3.5959   25.075   3.5959   95.553   7.0527   95.553   7.0527 0.000000 0.000000 
1 1 1   12    0   25 o   65.909   7.0979   12.529   3.3290   12.529   3.3290   12.529   3.3290   65.909   10.038   65.909   10.038 0.000000 0.000000 
1 1 1   12    0   26 o  502.947   6.5010  684.352   24.967  684.352   24.967  684.352   24.967  502.947   9.1937  502.947   9.1937 0.000000 0.000000 
1 1 1   12    0   27 o   36.113   11.529   5.1101   3.4179   5.1101   3.4179   5.1101   3.4179   36.113   16.304   36.113   16.304 0.000000 0.000000 
1 1 1   12    0   28 o  1754.87   20.875  8359.19  279.772  8359.19  279.772  8359.19  279.772  1754.87   29.522  1754.87   29.522 0.000000 0.000000 
1 1 1   12    0   29 o  594.425   7.5095  956.057   34.088  956.057   34.088  956.057   34.088  594.425   10.620  594.425   10.620 0.000000 0.000000 
1 1 1   12    0   30 o  204.833   4.4899  113.707   7.0128  113.707   7.0128  113.707   7.0128  204.833   6.3497  204.833   6.3497 0.000000 0.000000 
1 1 1   12    0   31 o  1035.92   12.491  2906.65   98.817  2906.65   98.817  2906.65   98.817  1035.92   17.664  1035.92   17.664 0.000000 0.000000 
1 1 1   12    0   32 o  885.812   10.781  2124.84   72.931  2124.84   72.931  2124.84   72.931  885.812   15.247  885.812   15.247 0.000000 0.000000 
1 1 1   12    0   33 o  150.487   5.3339   61.667   6.0988   61.667   6.0988   61.667   6.0988  150.487   7.5432  150.487   7.5432 0.000000 0.000000 
1 1 1   12    0   34 o  287.611   4.9382  223.958   10.839  223.958   10.839  223.958   10.839  287.611   6.9837  287.611   6.9837 0.000000 0.000000 
1 1 1   12    0   35 o  614.456   7.8086  1021.94   36.640  1021.94   36.640  1021.94   36.640  614.456   11.043  614.456   11.043 0.000000 0.000000 
1 1 1   12    0   36 o  612.956   7.8096  1016.98   36.555  1016.98   36.555  1016.98   36.555  612.956   11.044  612.956   11.044 0.000000 0.000000 
1 1 1   12    0   37 o  476.432   6.4443  614.404   23.443  614.404   23.443  614.404   23.443  476.432   9.1135  476.432   9.1135 0.000000 0.000000 
1 1 1   12    0   38 o   89.758   9.6263   23.250   6.1531   23.250   6.1531   23.250   6.1531   89.758   13.614   89.758   13.614 0.000000 0.000000 
1 1 1   12    0   39 o  774.415   9.5923  1625.24   56.728  1625.24   56.728  1625.24   56.728  774.415   13.566  774.415   13.566 0.000000 0.000000 
1 1 1   12    0   42 o   27.532   13.265  -5.0000   8.5916  -5.0000   8.5916  -5.0000   8.5916   27.532   18.760   27.532   18.760 0.000000 0.000000 
1 1 1   12    0   43 o  223.955   5.0518  136.069   8.6260  136.069   8.6260  136.069   8.6260  223.955   7.1443  223.955   7.1443 0.000000 0.000000 
1 1 1   12    0   44 o  122.966   6.8775   41.704   6.3698   41.704   6.3698   41.704   6.3698  122.966   9.7262  122.966   9.7262 0.000000 0.000000 
1 1 1   12    0   45 o  313.548   5.1818  266.468   12.401  266.468   12.401  266.468   12.401  313.548   7.3282  313.548   7.3282 0.000000 0.000000 
1 1 1   12    0   46 o  480.985   6.5199  627.447   23.945  627.447   23.945  627.447   23.945  480.985   9.2206  480.985   9.2206 0.000000 0.000000 
1 1 1   12    0   47 o  116.956   7.0445   37.882   6.1910   37.882   6.1910   37.882   6.1910  116.956   9.9624  116.956   9.9624 0.000000 0.000000 
1 1 1   12    0   48 o  524.954   6.9687  748.451   27.934  748.451   27.934  748.451   27.934  524.954   9.8552  524.954   9.8552 0.000000 0.000000 
1 1 1   12    0   49 o  204.763   5.1813  114.007   8.0841  114.007   8.0841  114.007   8.0841  204.763   7.3275  204.763   7.3275 0.000000 0.000000 
1 1 1   12    0   50 o  128.647   6.4975   45.591   6.3129   45.591   6.3129   45.591   6.3129  128.647   9.1888  128.647   9.1888 0.000000 0.000000 
1 1 1   12    0   51 o  185.115   5.3522   93.385   7.5427   93.385   7.5427   93.385   7.5427  185.115   7.5692  185.115   7.5692 0.000000 0.000000 
1 1 1   12    0   52 o   42.749   14.879   7.4810   5.8040   7.4810   5.8040   7.4810   5.8040   42.749   21.042   42.749   21.042 0.000000 0.000000 
1 1 1   12    0   53 o  153.911   6.0464   64.958   7.0614   64.958   7.0614   64.958   7.0614  153.911   8.5509  153.911   8.5509 0.000000 0.000000 
1 1 1   12    0   54 o   53.207   15.076   10.899   5.9528   10.899   5.9528   10.899   5.9528   53.207   21.320   53.207   21.320 0.000000 0.000000 
1 1 1   12    0   55 o  262.435   5.1951  187.535   10.400  187.535   10.400  187.535   10.400  262.435   7.3469  262.435   7.3469 0.000000 0.000000 
1 1 1   12    0   56 o   37.576   14.329   5.7376   5.7169   5.7376   5.7169   5.7376   5.7169   37.576   20.265   37.576   20.265 0.000000 0.000000 
1 1 1   12    0   57 o  403.953   5.9681  445.335   18.405  445.335   18.405  445.335   18.405  403.953   8.4401  403.953   8.4401 0.000000 0.000000 
1 1 1   12    0   58 o   58.755   15.155   12.923   6.2685   12.923   6.2685   12.923   6.2685   58.755   21.433   58.755   21.433 0.000000 0.000000 
1 1 1   12    0   59 o  179.429   5.9229   88.456   8.0811   88.456   8.0811   88.456   8.0811  179.429   8.3763  179.429   8.3763 0.000000 0.000000 
1 1 1   12    0   60 o  278.067   5.4167  211.321   11.491  211.321   11.491  211.321   11.491  278.067   7.6603  278.067   7.6603 0.000000 0.000000 
1 1 1   12    0   61 o   28.825   13.037   0.9819   6.4379   0.9819   6.4379   0.9819   6.4379   28.825   18.437   28.825   18.437 0.000000 0.000000 
1 1 1   12    0   62 o   41.777   15.967   7.6900   7.1132   7.6900   7.1132   7.6900   7.1132   41.777   22.581   41.777   22.581 0.000000 0.000000 
1 1 1   12    0   63 o  184.433   6.7033   94.324   9.3908   94.324   9.3908   94.324   9.3908  184.433   9.4798  184.433   9.4798 0.000000 0.000000 
1 1 1   12    0   64 o   50.115   17.540   11.410   8.0833   11.410   8.0833   11.410   8.0833   50.115   24.805   50.115   24.805 0.000000 0.000000 
1 1 1   12    0   65 o   61.285   17.207   15.772   7.7763   15.772   7.7763   15.772   7.7763   61.285   24.335   61.285   24.335 0.000000 0.000000 
1 1 1   12    0   66 o  220.306   6.2324  135.172   10.454  135.172   10.454  135.172   10.454  220.306   8.8139  220.306   8.8139 0.000000 0.000000 
1 1 1   12    1    0 o  918.350   11.054  2281.19   54.848  2257.55   76.730  2305.89   78.432  913.493   15.544  923.207   15.722 -9.714417 22.10895 
1 1 1   12    1    1 o  1516.45   18.020  6235.17  147.657  6201.49  207.604  6269.66  210.055  1512.33   25.404  1520.58   25.564 -8.255249 36.04027 
1 1 1   12    1    2 o  1365.31   16.247  5051.59  119.862  5053.51  169.622  5049.68  169.400  1365.56   22.987  1365.05   22.966 0.5136719 32.49335 
1 1 1   12    1    3 o  950.665   11.423  2445.54   58.678  2457.90   83.408  2433.42   82.564  953.040   16.196  948.289   16.112 4.751099 22.84560 
1 1 1   12    1    4 o  151.891   4.6487   62.343   3.8155   0.0000   0.0000   62.343   3.8155  ?   ?   151.891   4.6487      ?      ? 
1 1 1   12    1    5 o  187.067   4.8523   94.564   4.9050   0.0000   0.0000   94.564   4.9050  ?   ?   187.067   4.8523      ?      ? 
1 1 1   12    1    6 o  303.906   4.3627  249.012   7.1536  260.422   10.477  239.046   9.7912  310.410   6.2461  297.401   6.0927 13.00943 8.725489 
1 1 1   12    1    7 o  571.385   10.093  882.974   31.163   0.0000   0.0000  882.974   31.163  ?   ?   571.385   10.093      ?      ? 
1 1 1   12    1    8 f  426.633   5.5915  492.053   12.890  495.851   18.363  488.363   18.097  428.255   7.9350  425.011   7.8800 3.243835 11.18296 
1 1 1   12    1    9 o  897.901   10.848  2183.72   52.632  2173.38   74.063  2194.27   74.808  895.760   15.301  900.042   15.382 -4.282532 21.69596 
1 1 1   12    1   10 o  689.999   8.4828  1288.00   31.620  1305.27   45.324  1271.62   44.136  694.497   12.077  685.502   11.915 8.994873 16.96552 
1 1 1   12    1   11 o  885.314   10.720  2121.45   51.251  2076.58   70.960  2170.39   74.102  875.560   14.998  895.068   15.321 -19.50830 21.44005 
1 1 1   12    1   12 f  531.299   9.4775  763.484   27.210  763.484   27.210   0.0000   0.0000  531.299   9.4775  ?   ?       ?      ? 
1 1 1   12    1   16 o  676.842   8.3300  1240.24   30.466  1237.84   43.009  1242.66   43.162  676.185   11.771  677.498   11.790 -1.312927 16.65999 
1 1 1   12    1   17 o  224.096   3.8068  135.647   4.6082  139.726   6.6211  131.814   6.4178  227.362   5.3892  220.831   5.3782 6.531311 7.613694 
1 1 1   12    1   18 o  563.159   7.0783  857.990   21.539  852.517   30.267  863.604   30.658  561.342   9.9782  564.976   10.042 -3.633301 14.15658 
1 1 1   12    1   19 o  477.581   6.1696  616.860   15.922  616.488   22.525  617.231   22.509  477.437   8.7309  477.725   8.7193 -0.2881470 12.33919 
1 1 1   12    1   20 o  839.132   12.555  1894.24   53.004  1867.28   63.955  1953.38   94.719  830.268   14.255  847.996   20.671 -17.72772 25.10950 
1 1 1   12    1   21 o  713.558   10.644  1394.27   39.447  1322.75   64.632  1436.73   49.798  698.549   17.122  728.567   12.649 -30.01727 21.28764 
1 1 1   12    1   22 o  818.813   14.089  1815.20   62.338   0.0000   0.0000  1815.20   62.338  ?   ?   818.813   14.089      ?      ? 
1 1 1   12    1   23 o  237.282   4.9894  152.215   6.0347  152.253   7.3956  152.140   10.439  237.346   5.7664  237.219   8.1439 0.1278534 9.978722 
1 1 1   12    1   24 o  268.039   5.2396  192.193   7.0876  188.680   8.5656  199.820   12.622  264.219   5.9994  271.860   8.5920 -7.641541 10.47924 
1 1 1   12    1   25 o  384.333   5.2852  399.144   10.974  406.291   15.701  392.319   15.345  387.695   7.4948  380.971   7.4539 6.723846 10.57037 
1 1 1   12    1   26 o  506.632   6.5268  693.864   17.866  688.433   25.040  699.497   25.499  504.615   9.1831  508.650   9.2773 -4.035065 13.05367 
1 1 1   12    1   27 o  220.088   4.1674  130.729   4.9522  138.164   7.1446  123.854   6.8704  226.103   5.8477  214.073   5.9392 12.02997 8.334895 
1 1 1   12    1   28 o  362.766   5.1721  355.728   10.139  356.961   14.326  354.492   14.350  363.396   7.2957  362.136   7.3331 1.259583 10.34413 
1 1 1   12    1   29 o  809.062   9.8801  1771.60   43.194  1767.16   60.908  1776.09   61.266  808.044   13.949  810.080   13.996 -2.036438 19.76029 
1 1 1   12    1   30 o  982.790   11.869  2616.34   63.029  2604.59   88.717  2628.32   89.563  980.568   16.743  985.012   16.827 -4.443909 23.73769 
1 1 1   12    1   31 o  581.182   7.3943  913.625   23.222  917.551   32.939  909.746   32.742  582.422   10.466  579.941   10.448 2.481384 14.78863 
1 1 1   12    1   32 o  792.169   9.7206  1699.31   41.610  1702.98   58.938  1695.66   58.754  793.021   13.754  791.317   13.740 1.703552 19.44124 
1 1 1   12    1   33 f  666.066   8.3305  1200.62   29.983  1197.75   42.275  1203.52   42.530  665.267   11.760  666.865   11.802 -1.598267 16.66098 
1 1 1   12    1   34 o  390.713   5.6199  412.672   11.863  419.352   16.951  406.258   16.610  393.811   7.9655  387.615   7.9299 6.195648 11.23978 
1 1 1   12    1   35 o  1245.63   14.964  4217.33  100.710  4257.26  143.849  4178.95  141.043  1251.37   21.273  1239.89   21.051 11.48193 29.92835 
1 1 1   12    1   36 o  1396.51   16.753  5309.88  126.392  5378.66  181.162  5244.65  176.423  1405.24   23.858  1387.78   23.526 17.46313 33.50604 
1 1 1   12    1   37 o  398.263   5.7589  428.650   12.387  441.396   17.878  416.881   17.179  403.949   8.1902  392.577   8.0980 11.37253 11.51772 
1 1 1   12    1   38 o  995.993   14.818  2702.24   75.267  2700.45  129.964  2703.14   92.325  994.423   24.186  997.562   17.127 -3.138916 29.63637 
1 1 1   12    1   39 o  558.952   10.264  846.819   30.952  824.549   42.372  872.297   45.323  551.139   14.228  566.764   14.799 -15.62451 20.52874 
1 1 1   12    1   40 o  306.034   7.2854  252.852   11.983  245.495   16.032  262.162   18.037  301.045   9.8556  311.022   10.732 -9.976685 14.57074 
1 1 1   12    1   41 o  256.496   10.739  178.356   14.885  178.356   14.885   0.0000   0.0000  256.496   10.739  ?   ?       ?      ? 
1 1 1   12    1   42 o  175.505   7.9372   83.082   7.4797   87.950   11.352   79.347   9.9432  179.989   11.672  171.021   10.759 8.968491 15.87433 
1 1 1   12    1   43 o  410.055   7.3051  455.138   15.130  459.685   26.703  452.988   18.361  411.238   12.016  408.872   8.3106 2.365570 14.61028 
1 1 1   12    1   44 o  562.908   7.3248  860.335   22.278  870.125   31.816  850.920   31.203  566.037   10.402  559.779   10.316 6.257751 14.64962 
1 1 1   12    1   45 o  170.719   5.4153   79.068   4.9831   86.298   7.0994   72.046   6.9962  178.439   7.3628  162.999   7.9431 15.44051 10.83066 
1 1 1   12    1   46 o  227.410   5.0502  140.113   6.2041  137.400   8.6463  142.992   8.9073  225.145   7.1069  229.674   7.1771 -4.528305 10.10043 
1 1 1   12    1   47 o  316.015   5.2220  270.520   8.9107  280.035   12.907  261.855   12.317  321.310   7.4337  310.721   7.3360 10.58914 10.44396 
1 1 1   12    1   48 o  195.144   5.2644  103.308   5.5487  107.843   7.9568   99.015   7.7417  199.317   7.3876  190.971   7.5020 8.346329 10.52888 
1 1 1   12    1   49 o   92.961   8.4238   23.666   4.1985   27.723   6.0625   19.928   5.8200  100.695   11.142   85.228   12.637 15.46683 16.84759 
1 1 1   12    1   50 o  156.581   5.7262   66.701   4.8265   59.200   6.7279   74.654   6.9280  147.465   8.4431  165.698   7.7375 -18.23349 11.45232 
1 1 1   12    1   51 o  343.374   5.4188  320.952   10.054  322.325   14.290  319.605   14.148  344.094   7.6854  342.654   7.6412 1.439972 10.83757 
1 1 1   12    1   52 o   82.092   12.903   18.637   5.7235   0.0000   0.0000   18.637   5.7235  ?   ?    82.092   12.903      ?      ? 
1 1 1   12    1   53 o  262.614   5.1247  187.725   7.2690  193.764   10.471  182.108   10.099  266.681   7.2663  258.547   7.2284 8.134766 10.24933 
1 1 1   12    1   54 f  228.740   5.2355  142.793   6.4704  139.674   9.1207  145.953   9.1806  226.208   7.4616  231.273   7.3461 -5.064529 10.47094 
1 1 1   12    1   55 o  183.062   5.5820   91.715   5.5204   89.606   7.8194   93.810   7.7946  180.933   7.9977  185.191   7.7891 -4.257706 11.16392 
1 1 1   12    1   56 o   45.269   12.267   4.4036   4.2016   4.2315   5.9966   4.5695   5.8888   45.032   17.384   45.505   17.311 -0.4728966 24.53362 
1 1 1   12    1   57 o  162.681   5.9240   72.781   5.2042   75.769   7.3587   69.791   7.3610  166.082   8.1996  159.281   8.5523 6.801392 11.84804 
1 1 1   12    1   58 o  223.948   5.3719  137.654   6.5000  136.923   9.1141  138.410   9.2726  223.364   7.5511  224.531   7.6425 -1.167160 10.74373 
1 1 1   12    1   59 o  177.489   6.0322   86.883   5.7801   81.809   8.0506   92.281   8.3038  172.090   8.6573  182.889   8.4024 -10.79872 12.06435 
1 1 1   12    1   60 f  148.156   6.6385   60.961   5.3120   58.392   7.4555   63.610   7.5705  144.929   9.5199  151.383   9.2547 -6.453491 13.27693 
1 1 1   12    1   61 o   82.800   11.652   20.949   5.0840   25.791   7.1046   15.868   7.2783   94.532   13.908   71.069   18.700 23.46274 23.30479 
1 1 1   12    1   62 o  111.579   9.0282   36.065   5.4416   36.243   7.6138   35.880   7.7802  111.967   12.584  111.191   12.949 0.7757950 18.05639 
1 1 1   12    1   63 o   65.084   12.987   12.639   5.5260   22.647   7.9230   3.1591   7.7113   84.964   17.826   45.203   18.891 39.76152 25.97355 
1 1 1   12    1   64 o   46.084   13.373   3.8988   5.4425   0.9228   7.7055   6.8614   7.6881   41.595   18.157   50.573   19.639 -8.977547 26.74634 
1 1 1   12    1   65 o  127.223   8.6947   47.618   5.9065   57.780   8.6530   38.752   8.0821  140.661   11.384  113.785   13.145 26.87663 17.38932 
1 1 1   12    1   66 o  150.096   7.7110   65.827   6.2484   62.879   8.8430   68.766   8.8301  146.458   11.174  153.734   10.629 -7.275742 15.42191 
1 1 1   12    2    0 o  995.871   11.951  2683.34   64.300  2652.80   89.921  2715.30   91.983  990.083   16.807  1001.66   16.994 -11.57635 23.90169 
1 1 1   12    2    1 f  764.518   9.3040  1580.70   38.435  1571.50   54.064  1590.11   54.652  762.269   13.125  766.766   13.190 -4.497131 18.60807 
1 1 1   12    2    2 o  313.898   4.4681  265.979   7.5730  273.754   10.976  258.914   10.462  318.271   6.3819  309.526   6.2552 8.745270 8.936255 
1 1 1   12    2    3 o  192.912   3.5376  100.544   3.6860  101.252   5.3012   99.882   5.1287  193.569   5.0682  192.256   4.9367 1.313095 7.075150 
1 1 1   12    2    4 o  522.159   6.6061  736.262   18.622  756.331   27.047  718.170   25.679  528.913   9.4633  515.406   9.2201 13.50732 13.21222 
1 1 1   12    2    5 o  1015.11   17.237  2791.04   94.549   0.0000   0.0000  2791.04   94.549  ?   ?   1015.11   17.237      ?      ? 
1 1 1   12    2    6 o  580.642   7.2622  911.114   22.770  929.758   32.936  894.044   31.515  586.321   10.396  574.963   10.143 11.35730 14.52439 
1 1 1   12    2    7 o  663.272   8.1717  1190.25   29.288  1189.79   41.449  1190.71   41.390  663.142   11.567  663.402   11.546 -0.2597046 16.34335 
1 1 1   12    2    8 o  776.474   9.4568  1632.06   39.679  1634.70   56.255  1629.44   55.974  777.097   13.397  775.850   13.351 1.246399 18.91364 
1 1 1   12    2    9 o  647.941   8.0264  1135.32   28.090  1154.22   40.453  1117.72   39.035  653.137   11.462  642.744   11.239 10.39301 16.05281 
1 1 1   12    2   10 o  243.253   8.4189  160.000   11.066   0.0000   0.0000  160.000   11.066  ?   ?   243.253   8.4189      ?      ? 
1 1 1   12    2   11 o  494.422   7.7392  654.979   19.384  679.730   34.251  643.315   23.512  501.112   12.649  487.733   8.9210 13.37961 15.47840 
1 1 1   12    2   12 o  864.791   10.488  2025.54   49.003  2004.76   68.524  2047.29   70.105  860.266   14.741  869.315   14.924 -9.048767 20.97662 
1 1 1   12    2   13 o  753.545   9.2193  1537.44   37.540  1541.28   53.127  1533.62   53.052  754.484   13.031  752.606   13.045 1.878235 18.43857 
1 1 1   12    2   14 o  922.172   11.171  2304.85   55.659  2287.73   78.012  2322.59   79.434  918.702   15.714  925.643   15.881 -6.940857 22.34159 
1 1 1   12    2   15 o  539.638   6.8397  786.178   19.903  763.896   27.139  812.110   29.278  531.397   9.4512  547.879   9.8893 -16.48132 13.67932 
1 1 1   12    2   16 o  580.184   7.2567  909.741   22.729  936.238   33.018  885.875   31.336  588.193   10.388  572.175   10.135 16.01727 14.51330 
1 1 1   12    2   17 o  377.673   5.1170  385.621   10.442  382.048   14.649  389.312   14.888  375.896   7.2118  379.451   7.2611 -3.554779 10.23396 
1 1 1   12    2   18 o  444.689   5.8100  534.761   13.961  533.523   19.677  536.015   19.811  444.172   8.1983  445.206   8.2348 -1.034424 11.62004 
1 1 1   12    2   19 o  379.656   6.4207  380.971   12.043  368.611   14.259  411.712   22.488  369.241   7.1467  390.071   10.669 -20.83035 12.84132 
1 1 1   12    2   20 o  325.894   6.5749  287.107   11.579  287.107   11.579   0.0000   0.0000  325.894   6.5749  ?   ?       ?      ? 
1 1 1   12    2   21 o  709.857   10.712  1367.60   38.808  1356.53   66.825  1373.23   47.671  707.390   17.482  712.324   12.385 -4.933350 21.42437 
1 1 1   12    2   22 o  611.945   9.2958  1017.74   29.238 1000.000   49.498  1027.24   36.235  607.661   15.074  616.229   10.882 -8.568237 18.59155 
1 1 1   12    2   23 o  822.023   12.215  1834.41   51.367  1820.49   88.026  1841.59   63.253  819.266   19.884  824.781   14.192 -5.515869 24.42929 
1 1 1   12    2   24 o  436.624   7.0689  514.152   15.690  511.487   19.151  519.594   27.363  434.971   8.1478  438.276   11.554 -3.304230 14.13783 
1 1 1   12    2   25 o  318.397   5.7418  269.773   9.1863  262.747   11.040  285.586   16.562  311.792   6.5529  325.001   9.4303 -13.20911 11.48352 
1 1 1   12    2   26 o  810.335   9.8794  1776.01   43.244  1806.94   62.166  1747.01   60.195  817.158   14.079  803.511   13.864 13.64667 19.75882 
1 1 1   12    2   27 f  105.648   5.2215   30.424   2.9559   33.559   4.0804   26.962   4.2878  111.427   6.7767   99.868   7.9455 11.55907 10.44294 
1 1 1   12    2   28 o  543.333   6.9608  798.223   20.436  792.941   28.706  803.652   29.099  541.512   9.8100  545.154   9.8781 -3.642151 13.92170 
1 1 1   12    2   29 o  625.979   7.8502  1058.72   26.531  1033.66   36.617  1086.41   38.495  618.198   10.962  633.761   11.241 -15.56293 15.70048 
1 1 1   12    2   30 o  375.010   5.3429  379.764   10.821  392.875   15.622  367.672   15.003  381.224   7.5835  368.796   7.5284 12.42868 10.68583 
1 1 1   12    2   31 o  489.067   6.4445  646.590   17.028  658.040   24.381  635.687   23.792  493.291   9.1468  484.843   9.0810 8.447784 12.88906 
1 1 1   12    2   32 o  561.844   7.2089  853.952   21.886  853.366   30.877  854.543   31.027  561.652   10.174  562.036   10.216 -0.3843994 14.41774 
1 1 1   12    2   33 o  352.315   5.2860  335.473   10.062  342.814   14.385  328.441   14.079  356.087   7.4760  348.542   7.4751 7.544769 10.57204 
1 1 1   12    2   34 f  428.972   5.9532  497.625   13.799  496.535   19.416  498.737   19.615  428.499   8.3853  429.445   8.4527 -0.9461670 11.90636 
1 1 1   12    2   35 o   86.841   8.9174   20.537   4.1564   22.978   5.8292   18.012   5.9282   92.133   11.709   81.548   13.453 10.58504 17.83472 
1 1 1   12    2   36 o  732.656   9.1031  1453.08   36.026  1479.19   51.821  1428.65   50.118  739.009   12.977  726.302   12.770 12.70758 18.20619 
1 1 1   12    2   37 o   60.569   13.277   9.5477   4.7863   12.471   7.4057   7.4508   6.2723   67.014   19.363   54.124   18.172 12.89059 26.55416 
1 1 1   12    2   38 o  711.903   12.551  1377.34   48.281  1386.04   68.394  1368.69   68.165  714.150   17.723  709.656   17.776 4.493958 25.10149 
1 1 1   12    2   39 o  306.027   7.2064  253.887   11.906  261.036   16.645  246.396   17.037  310.462   9.9218  301.592   10.454 8.870514 14.41285 
1 1 1   12    2   40 o  156.700   5.8607   66.827   4.9353   72.801   6.8599   60.417   7.1056  164.018   7.7400  149.382   8.8026 14.63560 11.72149 
1 1 1   12    2   41 o  166.731   5.7201   75.193   5.1445   74.248   7.0497   76.270   7.5245  165.619   7.8772  167.843   8.2963 -2.224136 11.44021 
1 1 1   12    2   42 o  299.329   7.4148  242.403   11.967  252.252   17.641  234.009   16.287  304.921   10.707  293.737   10.261 11.18350 14.82958 
1 1 1   12    2   43 o  274.468   7.2623  204.433   10.757  204.752   15.620  204.144   14.836  274.642   10.525  274.295   10.009 0.3467712 14.52455 
1 1 1   12    2   44 o  241.602   6.4248  157.528   7.7650  160.495   13.983  156.205   9.3371  243.059   10.646  240.145   7.1954 2.913498 12.84968 
1 1 1   12    2   45 o  271.299   5.0699  198.954   7.4225  212.619   10.806  186.745   10.214  280.100   7.1391  262.498   7.2005 17.60223 10.13972 
1 1 1   12    2   46 o  438.067   6.1428  520.969   14.541  523.857   20.670  518.140   20.458  439.263   8.7084  436.870   8.6662 2.393066 12.28569 
1 1 1   12    2   47 o  278.371   5.1390  210.160   7.7300  211.806   10.980  208.543   10.884  279.451   7.2715  277.292   7.2639 2.159607 10.27803 
1 1 1   12    2   48 f  562.770   7.3919  863.683   22.474  874.696   32.194  853.214   31.387  566.233   10.522  559.307   10.385 6.926819 14.78378 
1 1 1   12    2   49 o   78.948   10.305   17.900   4.2166   23.627   5.9621   12.169   5.9642   92.880   11.879   65.016   16.841 27.86308 20.60934 
1 1 1   12    2   50 o  231.797   5.0577  145.953   6.3346  148.426   9.0123  143.539   8.9054  233.740   7.1354  229.854   7.1699 3.885986 10.11541 
1 1 1   12    2   51 o   50.040   11.985   6.4126   3.9385   4.2622   5.5169   8.6475   5.6244   44.662   16.811   55.419   17.086 -10.75720 23.96902 
1 1 1   12    2   52 o  127.528   6.6717   44.544   4.5484   36.436   6.3037   53.350   6.5694  115.288   10.119  139.768   8.6982 -24.47985 13.34339 
1 1 1   12    2   53 o  232.404   5.1867  146.749   6.5029  136.383   8.9343  158.428   9.4833  223.687   7.3915  241.121   7.2784 -17.43379 10.37349 
1 1 1   12    2   54 o  176.189   5.5842   84.873   5.3144   87.173   7.4911   82.543   7.5406  178.628   7.7609  173.751   8.0314 4.876358 11.16849 
1 1 1   12    2   55 o  141.603   6.3915   55.301   4.8699   60.141   6.8190   50.262   6.9572  148.083   8.5217  135.124   9.5283 12.95901 12.78310 
1 1 1   12    2   56 o  160.084   6.0567   70.287   5.2253   63.467   7.2543   77.641   7.5330  151.941   8.8355  168.228   8.2867 -16.28680 12.11346 
1 1 1   12    2   57 f   51.699   12.411   6.9072   4.3351   3.3183   5.9844   10.870   6.2884   43.045   17.140   60.353   17.955 -17.30830 24.82271 
1 1 1   12    2   58 o   58.556   12.538   10.210   4.3999   12.738   6.1682   7.5911   6.2780   64.844   17.288   52.269   18.163 12.57435 25.07565 
1 1 1   12    2   59 o  184.193   5.7898   93.532   5.7600   94.681   8.0562   92.331   8.2386  185.415   8.0408  182.971   8.3326 2.443726 11.57957 
1 1 1   12    2   60 o   73.825   12.033   16.701   4.7375   20.088   6.7355   13.385   6.6647   81.857   15.800   65.793   18.154 16.06427 24.06643 
1 1 1   12    2   61 o   91.281   10.951   25.052   5.1758   29.969   7.2382   19.907   7.4041  102.254   13.100   80.307   17.552 21.94699 21.90152 
1 1 1   12    2   62 o  178.220   6.5110   88.671   6.2394   77.214   8.5493  101.727   9.1266  165.712   9.5475  190.728   8.8554 -25.01624 13.02202 
1 1 1   12    2   63 o   52.116   14.053   7.0278   5.5577   4.6199   7.6696   9.6904   8.0649   47.404   19.219   56.828   20.507 -9.424187 28.10587 
1 1 1   12    2   64 o   48.491   13.688   5.1435   5.6284   0.9346   7.9845   9.3007   7.9353   42.014   18.407   54.968   20.264 -12.95365 27.37629 
1 1 1   12    2   65 o  206.467   6.4346  120.949   7.1789  121.623   10.154  120.275   10.151  207.070   9.0748  205.865   9.1249 1.204926 12.86920 
1 1 1   12    2   66 o  179.514   7.0096   92.878   6.7934   98.235   9.8219   87.965   9.4061  184.542   9.8494  174.485   9.9762 10.05659 14.01910 
1 1 1   12    3    0 o  516.815   9.2680  722.060   25.883   0.0000   0.0000  722.060   25.883  ?   ?   516.815   9.2680      ?      ? 
1 1 1   12    3    1 o  460.120   8.4130  572.282   20.918   0.0000   0.0000  572.282   20.918  ?   ?   460.120   8.4130      ?      ? 
1 1 1   12    3    3 o  248.395   3.9809  166.749   5.3429  166.491   7.6035  167.001   7.5093  248.205   5.6692  248.585   5.5903 -0.3805847 7.961854 
1 1 1   12    3    6 f  338.332   4.7560  309.038   8.6893  298.694   12.027  320.333   12.568  332.417   6.6955  344.246   6.7563 -11.82925 9.511967 
1 1 1   12    3    7 o  189.189   5.0276   96.732   5.1398   0.0000   0.0000   96.732   5.1398  ?   ?   189.189   5.0276      ?      ? 
1 1 1   12    3    8 o  252.531   4.0752  172.403   5.5595  170.032   7.9175  174.709   7.8082  250.816   5.8418  254.245   5.6835 -3.428406 8.150335 
1 1 1   12    3    9 o  498.695   12.958  673.198   34.919   0.0000   0.0000  673.198   34.919  ?   ?   498.695   12.958      ?      ? 
1 1 1   12    3   10 o  295.304   5.5911  233.298   8.2121  229.532   9.8097  242.117   15.014  291.404   6.2298  299.204   9.2860 -7.800201 11.18211 
1 1 1   12    3   12 o  598.542   10.672  969.299   34.515   0.0000   0.0000  969.299   34.515  ?   ?   598.542   10.672      ?      ? 
1 1 1   12    3   13 o  757.410   13.150  1553.39   53.822   0.0000   0.0000  1553.39   53.822  ?   ?   757.410   13.150      ?      ? 
1 1 1   12    3   15 o  664.253   11.703  1194.48   42.007   0.0000   0.0000  1194.48   42.007  ?   ?   664.253   11.703      ?      ? 
1 1 1   12    3   16 o  840.439   12.574  1913.40   53.698  1905.83   65.550  1928.83   93.629  838.578   14.466  842.299   20.571 -3.720459 25.14799 
1 1 1   12    3   17 o  624.201   9.5076  1064.66   30.597  1087.51   38.178  1023.65   51.158  633.888   11.146  614.514   15.406 19.37360 19.01524 
1 1 1   12    3   18 o  565.954   8.7607  869.392   25.295  873.985   31.068  860.360   43.565  568.368   10.116  563.540   14.306 4.828125 17.52136 
1 1 1   12    3   19 o  472.976   7.5663  604.647   18.116  603.417   22.043  607.207   31.801  472.358   8.6361  473.595   12.426 -1.237183 15.13259 
1 1 1   12    3   20 o  160.182   4.7890   62.946   3.6753   83.581   7.5198   56.469   4.2128  175.819   7.9150  144.545   5.3936 31.27356 9.578023 
1 1 1   12    3   21 o  291.584   5.5567  220.258   7.8894  252.027   15.288  208.727   9.2106  305.279   9.2674  277.890   6.1338 27.38834 11.11343 
1 1 1   12    3   22 o  866.780   10.520  2031.40   49.213  1974.65   67.636  2095.26   71.741  853.963   14.657  879.598   15.094 -25.63470 21.03931 
1 1 1   12    3   23 o  576.999   8.8044  907.362   26.277  877.928   43.700  924.031   32.886  569.489   14.201  584.509   10.412 -15.01978 17.60890 
1 1 1   12    3   24 o  994.767   11.988  2680.09   64.438  2693.33   91.533  2667.09   90.731  997.198   16.987  992.336   16.920 4.861450 23.97599 
1 1 1   12    3   25 o  774.684   11.572  1627.92   45.844  1634.42   56.430  1615.31   78.625  777.225   13.436  772.144   18.844 5.080811 23.14356 
1 1 1   12    3   26 o  753.442   9.2475  1534.36   37.622  1573.28   54.483  1498.88   52.015  762.555   13.222  744.328   12.932 18.22681 18.49500 
1 1 1   12    3   27 f  1321.81   15.801  4740.96  112.861  4739.02  159.472  4742.92  159.747  1321.55   22.331  1322.08   22.361 -0.5350342 31.60208 
1 1 1   12    3   28 o  687.600   8.5277  1279.02   31.685  1283.75   44.938  1274.34   44.682  688.864   12.072  686.337   12.048 2.527039 17.05544 
1 1 1   12    3   29 o  354.097   5.1457  338.752   9.8434  348.119   14.106  329.862   13.743  358.866   7.2740  349.328   7.2803 9.537384 10.29147 
1 1 1   12    3   30 o  714.920   8.8469  1382.78   34.173  1398.39   48.797  1367.76   47.872  718.874   12.562  710.966   12.461 7.907593 17.69381 
1 1 1   12    3   31 o  521.012   6.7718  734.026   19.063  743.360   27.215  725.036   26.710  524.261   9.6067  517.763   9.5466 6.498352 13.54352 
1 1 1   12    3   32 o  420.490   5.8170  478.075   13.217  483.143   18.781  473.103   18.603  422.698   8.2226  418.282   8.2304 4.415375 11.63399 
1 1 1   12    3   33 o  374.235   5.4867  378.656   11.094  377.925   15.578  379.409   15.804  373.870   7.7110  374.600   7.8076 -0.7299500 10.97346 
1 1 1   12    3   34 o  421.607   5.9052  480.634   13.452  476.339   18.860  485.082   19.192  419.691   8.3161  423.522   8.3862 -3.830872 11.81045 
1 1 1   12    3   35 o  180.327   6.1027   87.955   5.8598   87.905   9.0960   87.990   7.6615  180.269   9.3377  180.386   7.8600 -0.1177673 12.20541 
1 1 1   12    3   36 o  296.130   6.9295  236.485   11.056  227.477   14.969  247.297   16.400  289.957   9.5539  302.303   10.040 -12.34579 13.85908 
1 1 1   12    3   37 o  120.755   8.8298   39.897   5.6826   47.252   8.0132   32.455   8.0600  132.095   11.226  109.416   13.632 22.67909 17.65967 
1 1 1   12    3   38 o  115.305   8.2285   34.840   4.9581   31.741   6.1559   40.563   8.3652  108.272   10.522  122.339   12.654 -14.06642 16.45693 
1 1 1   12    3   39 o  621.209   7.9109  1045.70   26.552  1057.43   37.944  1034.45   37.167  624.612   11.242  617.807   11.133 6.805237 15.82185 
1 1 1   12    3   40 f  140.647   6.3014   54.345   4.6829   67.452   6.6263   41.267   6.6189  157.874   7.7673  123.421   9.9246 34.45371 12.60273 
1 1 1   12    3   41 o  172.715   5.4519   80.820   5.0834   83.800   7.1328   77.745   7.2464  175.962   7.5016  169.468   7.9131 6.493073 10.90374 
1 1 1   12    3   42 o  519.089   8.4298  733.852   22.351  737.932   27.494  725.901   38.382  521.679   9.7532  516.500   13.752 5.179321 16.85965 
1 1 1   12    3   43 o  250.452   7.4725  170.352   10.099  159.189   14.200  181.779   14.367  242.113   10.854  258.791   10.274 -16.67769 14.94502 
1 1 1   12    3   44 o  167.638   8.3528   76.922   7.5194   70.225   10.925   82.950   10.366  160.583   12.590  174.692   10.981 -14.10863 16.70559 
1 1 1   12    3   45 o  213.686   5.0791  123.687   5.8630  127.295   8.4127  120.279   8.1754  216.714   7.1839  210.658   7.1820 6.056076 10.15820 
1 1 1   12    3   46 o  410.955   5.9107  458.106   13.121  467.320   18.865  449.471   18.261  414.944   8.4136  406.966   8.3040 7.977295 11.82134 
1 1 1   12    3   47 o  492.262   6.6642  659.040   17.726  663.851   25.217  654.340   24.923  494.031   9.4459  490.494   9.4032 3.536865 13.32834 
1 1 1   12    3   48 o  458.330   6.3466  571.669   15.717  573.576   22.362  569.807   22.097  459.071   9.0143  457.589   8.9364 1.481903 12.69318 
1 1 1   12    3   49 o  166.621   5.5778   75.512   5.0193   77.462   7.0479   73.505   7.1499  168.826   7.7256  164.416   8.0476 4.409790 11.15565 
1 1 1   12    3   50 o  144.786   6.1666   57.181   4.8005   50.049   6.7123   64.648   6.8682  135.471   9.1694  154.102   8.2480 -18.63150 12.33314 
1 1 1   12    3   51 o   65.314   11.743   12.399   4.1534   12.204   5.9407   12.585   5.8091   64.804   16.819   65.824   16.394 -1.019455 23.48658 
1 1 1   12    3   52 o   82.538   9.3478   18.858   4.1675   19.389   5.9990   18.362   5.7938   83.654   13.271   81.423   13.168 2.230804 18.69564 
1 1 1   12    3   53 o   59.643   12.127   10.330   4.1215   11.014   5.8731   9.6675   5.7854   61.409   17.078   57.878   17.223 3.531387 24.25472 
1 1 1   12    3   54 o  136.221   6.6740   51.054   4.8940   45.745   6.8876   56.468   6.9551  128.948   9.8848  143.493   8.9698 -14.54529 13.34792 
1 1 1   12    3   55 o  108.814   7.9358   33.076   4.6308   29.457   6.6879   36.409   6.4183  102.843   12.034  114.785   10.348 -11.94140 15.87150 
1 1 1   12    3   56 o  128.737   7.0168   45.684   4.8562   52.303   7.0390   39.673   6.7083  137.747   9.4567  119.727   10.369 18.01975 14.03369 
1 1 1   12    3   57 o  172.543   5.9574   81.846   5.5519   80.356   7.7100   83.450   8.0012  170.942   8.3468  174.145   8.5027 -3.202881 11.91488 
1 1 1   12    3   58 o  205.560   5.6207  116.212   6.2431  114.826   8.8206  117.602   8.8374  204.314   7.9894  206.806   7.9082 -2.491699 11.24140 
1 1 1   12    3   59 o  124.434   10.376   43.174   6.9768   43.174   6.9768   0.0000   0.0000  124.434   10.376  ?   ?       ?      ? 
1 1 1   12    3   60 o  241.043   5.5775  160.212   7.2633  164.765   10.351  155.796   10.194  244.448   7.8363  237.639   7.9389 6.809250 11.15497 
1 1 1   12    3   61 o  100.046   9.4348   28.781   5.0993   28.984   7.1486   28.572   7.2761  100.484   13.165   99.608   13.518 0.8759460 18.86965 
1 1 1   12    3   62 o  151.527   7.3484   64.966   5.9952   72.587   8.6435   57.901   8.3226  160.357   9.9750  142.698   10.793 17.65935 14.69682 
1 1 1   12    3   63 o  122.929   13.032   43.660   8.6568   43.660   8.6568   0.0000   0.0000  122.929   13.032  ?   ?       ?      ? 
1 1 1   12    3   64 o   54.601   13.894   8.9144   5.5658   14.030   7.8570   3.7620   7.8855   63.983   20.266   45.219   19.013 18.76461 27.78867 
1 1 1   12    3   65 o  129.119   8.7045   48.910   6.0526   54.558   8.7703   43.774   8.3637  136.577   11.884  121.661   12.722 14.91652 17.40891 
1 1 1   12    3   66 o   42.228   13.864  -2.0469   7.5860  -3.0518   10.497  -0.9484   10.975   41.008   19.155   43.448   20.049 -2.440552 27.72881 
1 1 1   12    4    0 o  499.798   9.0871  675.389   24.542  675.389   24.542   0.0000   0.0000  499.798   9.0871  ?   ?       ?      ? 
1 1 1   12    4    2 o  442.882   5.8139  530.138   13.910  536.433   19.933  524.163   19.421  445.442   8.2813  440.322   8.1624 5.120239 11.62774 
1 1 1   12    4    3 o  416.275   5.5436  468.421   12.468  471.350   17.792  465.595   17.477  417.552   7.8857  414.998   7.7937 2.553833 11.08717 
1 1 1   12    4    5 o  741.164   9.0865  1486.64   36.388  1496.26   51.877  1477.33   51.054  743.518   12.912  738.810   12.788 4.707642 18.17308 
1 1 1   12    4    6 o  434.866   5.7505  510.444   13.495  527.239   19.707  495.613   18.518  441.586   8.2586  428.147   8.0043 13.43921 11.50099 
1 1 1   12    4    7 o  608.584   7.5990  1001.81   24.988  991.534   35.050  1012.43   35.633  605.413   10.714  611.755   10.779 -6.341675 15.19804 
1 1 1   12    4    8 o  511.675   6.5474  707.870   18.099  716.325   25.921  699.827   25.284  514.652   9.3206  508.698   9.1980 5.954498 13.09489 
1 1 1   12    4    9 o  532.965   6.7866  768.211   19.544  761.758   27.473  774.823   27.809  530.700   9.5800  535.230   9.6153 -4.529724 13.57317 
1 1 1   12    4   10 o  396.796   6.7420  428.203   13.591  432.847   16.647  418.919   23.536  400.115   7.6995  393.476   11.070 6.638489 13.48394 
1 1 1   12    4   11 o  530.413   9.6577  761.000   27.681   0.0000   0.0000  761.000   27.681  ?   ?   530.413   9.6577      ?      ? 
1 1 1   12    4   13 o  861.127   14.900  2009.43   69.331   0.0000   0.0000  2009.43   69.331  ?   ?   861.127   14.900      ?      ? 
1 1 1   12    4   15 o  402.646   7.9477  438.439   17.292   0.0000   0.0000  438.439   17.292  ?   ?   402.646   7.9477      ?      ? 
1 1 1   12    4   16 o  614.749   10.921  1023.72   36.257  1047.52   52.360  1001.80   50.255  621.588   15.589  607.911   15.299 13.67780 21.84153 
1 1 1   12    4   17 o  470.761   12.390  600.000   31.518   0.0000   0.0000  600.000   31.518  ?   ?   470.761   12.390      ?      ? 
1 1 1   12    4   18 o  191.519   8.2109   99.189   8.4975   0.0000   0.0000   99.189   8.4975  ?   ?   191.519   8.2109      ?      ? 
1 1 1   12    4   19 o  474.764   7.6835  593.380   17.911  649.324   33.894  571.704   21.098  489.736   12.808  459.793   8.4915 29.94196 15.36709 
1 1 1   12    4   20 o  208.845   4.9608  111.869   4.9826  131.216   9.9041  105.314   5.7653  220.292   8.3201  197.398   5.4049 22.89371 9.921522 
1 1 1   12    4   21 o  749.615   9.1838  1520.88   37.200  1521.39   52.643  1520.37   52.575  749.740   12.994  749.490   12.982 0.2500610 18.36758 
1 1 1   12    4   22 o  742.389   9.1038  1490.89   36.509  1516.01   52.449  1467.27   50.851  748.445   12.968  736.333   12.780 12.11200 18.20751 
1 1 1   12    4   23 o  299.040   6.4409  241.701   10.408   0.0000   0.0000  241.701   10.408  ?   ?   299.040   6.4409      ?      ? 
1 1 1   12    4   24 o  338.320   5.8377  305.494   10.093  321.396   17.583  297.680   12.326  344.774   9.4380  331.866   6.8733 12.90787 11.67548 
1 1 1   12    4   25 o  388.299   5.3906  406.783   11.295  393.830   15.483  421.516   16.513  381.707   7.5066  394.891   7.7387 -13.18323 10.78130 
1 1 1   12    4   26 o  1380.76   20.178  5205.91  142.870  5250.45  176.627  5121.62  242.989  1390.83   23.501  1370.69   32.807 20.14111 40.35583 
1 1 1   12    4   27 o  197.523   4.2470  105.569   4.5271  110.915   6.3702  100.114   6.4350  202.583   5.8192  192.462   6.1875 10.12038 8.493961 
1 1 1   12    4   28 o  511.829   6.6433  707.268   18.355  731.504   26.705  685.566   25.271  520.123   9.5015  503.536   9.2874 16.58762 13.28666 
1 1 1   12    4   29 o  534.819   6.9056  772.406   19.938  797.103   28.981  750.214   27.472  542.919   9.8784  526.719   9.6522 16.20001 13.81116 
1 1 1   12    4   30 o  478.815   6.3505  619.520   16.424  634.161   23.650  605.881   22.826  484.273   9.0376  473.357   8.9240 10.91608 12.70099 
1 1 1   12    4   31 o  792.261   9.7293  1699.07   41.642  1723.86   59.702  1675.58   58.111  797.876   13.847  786.646   13.671 11.22919 19.45868 
1 1 1   12    4   32 o  796.843   9.7902  1719.52   42.155  1721.80   59.661  1717.25   59.572  797.371   13.847  796.316   13.844 1.054688 19.58039 
1 1 1   12    4   33 o  152.413   6.0407   62.348   4.8940   65.360   7.7232   60.327   6.3263  155.455   9.1940  149.371   7.8378 6.084229 12.08146 
1 1 1   12    4   34 o  270.135   6.5433  197.093   9.5397  191.712   13.108  203.153   13.910  266.225   9.1116  274.045   9.3935 -7.819366 13.08662 
1 1 1   12    4   35 o  307.319   6.9295  255.447   11.502  253.378   16.002  257.658   16.546  306.038   9.6761  308.601   9.9219 -2.563263 13.85901 
1 1 1   12    4   36 o  538.877   8.5486  793.635   23.850  812.367   29.928  761.036   39.481  547.868   10.109  529.887   13.788 17.98077 17.09724 
1 1 1   12    4   37 o  430.966   6.0719  501.737   14.129  522.527   20.475  482.835   19.523  439.475   8.6218  422.458   8.5520 17.01663 12.14381 
1 1 1   12    4   38 o  788.417   9.7372  1684.48   41.453  1726.91   60.049  1645.85   57.294  797.858   13.928  778.977   13.611 18.88110 19.47449 
1 1 1   12    4   39 f  460.378   6.3132  573.820   15.705  576.326   22.280  571.345   22.142  461.376   8.9367  459.380   8.9197 1.996094 12.62634 
1 1 1   12    4   40 o  440.073   6.1368  523.926   14.586  538.439   21.025  510.457   20.254  445.939   8.7250  434.207   8.6322 11.73215 12.27354 
1 1 1   12    4   41 o  363.879   5.5133  358.460   10.839  359.177   15.223  357.721   15.438  364.254   7.7339  363.504   7.8596 0.7503967 11.02665 
1 1 1   12    4   42 o  238.342   7.1393  153.791   9.1948   0.0000   0.0000  153.791   9.1948  ?   ?   238.342   7.1393      ?      ? 
1 1 1   12    4   43 o  267.573   7.5113  193.823   10.836  203.040   15.988  185.991   14.737  273.414   10.821  261.733   10.420 11.68115 15.02263 
1 1 1   12    4   44 o  126.648   10.716   45.034   7.1211   34.234   10.379   54.640   9.7882  111.697   17.196  141.599   12.793 -29.90163 21.43266 
1 1 1   12    4   45 o  154.494   7.6978   58.404   5.7376   80.090   11.655   51.468   6.5917  171.311   12.590  137.676   8.8603 33.63521 15.39561 
1 1 1   12    4   46 o  434.164   6.1100  511.054   14.320  528.095   20.825  495.768   19.724  440.996   8.7391  427.333   8.5415 13.66278 12.21999 
1 1 1   12    4   47 o  141.390   6.1460   54.373   4.6869   58.548   6.6608   50.278   6.5962  146.798   8.3969  135.982   8.9769 10.81622 12.29195 
1 1 1   12    4   48 o  102.985   7.6896   29.175   4.2189   23.429   5.9251   35.084   6.0086   92.521   11.851  113.449   9.8014 -20.92838 15.37926 
1 1 1   12    4   49 o   85.613   8.9653   20.207   4.1297   18.615   5.9472   21.689   5.7390   82.267   13.378   88.960   11.939 -6.693710 17.93063 
1 1 1   12    4   50 o  306.809   5.2403  255.799   8.6844  261.390   12.496  250.575   12.078  310.037   7.4586  303.580   7.3628 6.456879 10.48051 
1 1 1   12    4   51 o   85.390   9.4193   20.559   4.1698   25.294   5.9929   16.114   5.8055   95.890   11.566   74.890   14.870 20.99982 18.83865 
1 1 1   12    4   52 o  228.640   5.1801  142.158   6.3949  149.954   9.2321  134.968   8.8665  234.668   7.2804  222.612   7.3708 12.05547 10.36021 
1 1 1   12    4   53 o   89.951   8.8709   22.526   4.2966   24.247   6.0136   20.732   6.1411   93.593   11.891   86.309   13.168 7.283867 17.74186 
1 1 1   12    4   54 o  156.864   6.2250   67.408   5.2743   70.082   7.5725   64.888   7.3505  159.893   8.7643  153.834   8.8426 6.059479 12.45007 
1 1 1   12    4   55 o  237.724   8.0363  154.840   10.323  154.840   10.323   0.0000   0.0000  237.724   8.0363  ?   ?       ?      ? 
1 1 1   12    4   56 o  283.391   5.4349  219.501   8.3114  228.121   12.146  211.910   11.398  288.561   7.7895  278.220   7.5813 10.34134 10.86981 
1 1 1   12    4   57 o  295.015   5.3902  238.646   8.5915  233.731   12.028  243.766   12.276  291.913   7.6251  298.116   7.6207 -6.203125 10.78043 
1 1 1   12    4   58 o   60.645   12.758   11.132   4.4943   11.690   6.3230   10.562   6.3892   62.039   17.882   59.250   18.201 2.788418 25.51516 
1 1 1   12    4   59 o  192.475   5.7520  101.861   5.9753  108.956   8.6525   95.392   8.2617  198.908   8.0501  186.042   8.2181 12.86592 11.50394 
1 1 1   12    4   60 o  181.613   5.9790   91.217   5.8568   83.816   8.1530   99.109   8.4189  173.893   8.6765  189.334   8.2288 -15.44083 11.95809 
1 1 1   12    4   61 o   79.338   11.808   19.350   4.9035   21.051   6.9148   17.629   6.9544   83.335   15.936   75.341   17.429 7.994041 23.61621 
1 1 1   12    4   62 o   39.043   12.171  -0.4095   5.0496  -2.4373   7.0899   1.6781   7.1937   36.308   16.512   41.779   17.885 -5.470219 24.34187 
1 1 1   12    4   63 o  112.392   13.286   36.581   8.0688   36.581   8.0688   0.0000   0.0000  112.392   13.286  ?   ?       ?      ? 
1 1 1   12    4   64 o   85.181   13.164   21.881   6.3781   42.748   10.496   9.6652   8.0309  116.007   16.744   54.355   20.317 61.65226 26.32759 
1 1 1   12    4   65 o  129.793   11.534   52.494   8.0561   52.680   10.954   52.275   11.890  130.894   15.487  128.693   17.097 2.200623 23.06857 
1 1 1   12    4   66 f   43.614   13.919  -1.4738   7.3088  -9.9955   10.060   8.0518   10.636   35.277   17.089   51.950   21.975 -16.67329 27.83807 
1 1 1   12    5    1 o  450.096   5.9267  547.735   14.414  543.380   20.312  552.154   20.459  448.293   8.3848  451.898   8.3784 -3.605225 11.85336 
1 1 1   12    5    3 o  157.041   3.8683   66.737   3.2781   64.591   4.7127   68.748   4.5628  154.591   5.6415  159.491   5.2943 -4.900238 7.736692 
1 1 1   12    5    4 o  242.987   5.9337  159.584   7.7911  159.584   7.7911   0.0000   0.0000  242.987   5.9337  ?   ?       ?      ? 
1 1 1   12    5    6 o  523.339   6.7144  740.729   18.987  741.177   26.970  740.290   26.736  523.493   9.5340  523.184   9.4571 0.3091431 13.42890 
1 1 1   12    5    7 o  821.300   10.017  1826.65   44.454  1830.24   62.985  1823.09   62.750  822.103   14.178  820.497   14.153 1.605774 20.03316 
1 1 1   12    5    8 o  424.378   8.0134  486.957   18.376   0.0000   0.0000  486.957   18.376  ?   ?   424.378   8.0134      ?      ? 
1 1 1   12    5    9 o  822.278   10.021  1830.15   44.505  1864.48   64.163  1798.33   61.784  829.684   14.311  814.872   14.031 14.81152 20.04240 
1 1 1   12    5   10 o  569.080   7.2074  875.886   22.159  886.861   31.743  865.454   30.947  572.552   10.260  565.609   10.125 6.942749 14.41486 
1 1 1   12    5   11 o  243.886   4.8015  160.754   6.3278   0.0000   0.0000  160.754   6.3278  ?   ?   243.886   4.8015      ?      ? 
1 1 1   12    5   12 o  760.553   13.312  1566.56   54.708   0.0000   0.0000  1566.56   54.708  ?   ?   760.553   13.312      ?      ? 
1 1 1   12    5   14 o  420.608   8.2407  478.462   18.730   0.0000   0.0000  478.462   18.730  ?   ?   420.608   8.2407      ?      ? 
1 1 1   12    5   15 f  757.904   13.273  1555.90   54.360   0.0000   0.0000  1555.90   54.360  ?   ?   757.904   13.273      ?      ? 
1 1 1   12    5   16 o  385.819   7.6216  402.817   15.890  403.829   22.452  401.802   22.491  386.306   10.756  385.332   10.802 0.9733276 15.24319 
1 1 1   12    5   17 f  491.711   7.8511  656.966   19.696  662.483   24.211  646.171   33.867  494.909   9.0530  488.513   12.830 6.395447 15.70222 
1 1 1   12    5   18 o  276.468   4.2802  206.602   6.3935  206.998   9.1242  206.219   8.9615  276.727   6.1017  276.208   6.0042 0.5191956 8.560470 
1 1 1   12    5   19 o  764.125   11.445  1595.68   45.065  1536.71   75.457  1628.38   56.185  752.704   18.552  775.546   13.407 -22.84229 22.88919 
1 1 1   12    5   20 o  447.807   5.9046  541.056   14.268  521.294   19.564  563.511   20.854  439.094   8.2456  456.520   8.4537 -17.42575 11.80911 
1 1 1   12    5   21 o  604.099   10.711  987.139   34.964   0.0000   0.0000  987.139   34.964  ?   ?   604.099   10.711      ?      ? 
1 1 1   12    5   22 o  856.979   10.406  1988.26   48.186  1992.71   68.309  1983.85   67.982  857.931   14.735  856.027   14.697 1.904419 20.81116 
1 1 1   12    5   23 o  472.065   6.1839  601.948   15.765  587.782   21.841  617.358   22.779  466.275   8.6684  477.856   8.8218 -11.58151 12.36787 
1 1 1   12    5   24 o  568.699   8.7253  878.532   25.559  862.612   43.067  887.187   31.756  564.602   14.116  572.797   10.260 -8.195190 17.45066 
1 1 1   12    5   25 o  1198.79   17.645  3881.97  106.971  3959.46  188.798  3845.33  129.819  1206.52   28.958  1191.05   20.171 15.46716 35.29079 
1 1 1   12    5   26 o  202.533   4.7746  110.623   5.0692  109.856   6.4199  111.892   8.2611  201.613   5.8928  203.453   7.5143 -1.840118 9.549292 
1 1 1   12    5   27 o  487.439   7.7300  643.122   19.362  644.250   23.941  640.991   32.917  488.136   9.0765  486.741   12.515 1.394623 15.46009 
1 1 1   12    5   28 o  515.540   6.7006  714.940   18.599  761.250   27.780  677.320   25.038  530.583   9.6892  500.498   9.2579 30.08521 13.40112 
1 1 1   12    5   29 o  1213.04   14.546  3990.96   95.333  4034.90  136.335  3948.92  133.356  1219.54   20.688  1206.53   20.454 13.00891 29.09267 
1 1 1   12    5   30 o  734.097   9.0803  1458.58   36.019  1465.44   51.168  1451.84   50.711  735.806   12.869  732.389   12.814 3.416382 18.16052 
1 1 1   12    5   31 o  554.793   8.6788  828.398   24.532  847.297   42.711  819.093   29.969  559.323   14.131  550.262   10.079 9.060974 17.35757 
1 1 1   12    5   32 o  967.103   16.550  2540.02   86.397  2614.86  125.688  2472.97  118.957  980.506   23.722  953.700   23.083 26.80560 33.09936 
1 1 1   12    5   33 o  820.571   14.178  1825.44   62.781  1888.74   91.701  1769.59   86.131  833.872   20.351  807.269   19.745 26.60333 28.35528 
1 1 1   12    5   34 o  360.760   6.4588  355.879   12.160  367.704   15.462  336.712   19.686  368.757   7.7596  352.762   10.327 15.99539 12.91754 
1 1 1   12    5   35 o  400.793   5.7832  434.148   12.520  444.916   18.008  424.072   17.420  405.599   8.2163  395.987   8.1410 9.611511 11.56649 
1 1 1   12    5   36 o  540.162   7.1079  789.752   20.747  789.537   29.280  789.969   29.400  540.090   10.033  540.234   10.071 -0.1439209 14.21574 
1 1 1   12    5   38 o  259.356   5.0603  181.937   7.0881  190.131   10.094  173.965   9.9558  265.122   7.0456  253.591   7.2653 11.53076 10.12059 
1 1 1   12    5   39 o  417.918   5.9243  472.455   13.374  484.302   19.240  461.380   18.603  422.980   8.4177  412.856   8.3386 10.12384 11.84861 
1 1 1   12    5   40 o  174.114   5.4596   82.051   5.1366   82.007   7.2707   82.095   7.2579  174.067   7.7299  174.161   7.7121 -0.9432983E-01 10.91914 
1 1 1   12    5   41 o  175.175   5.4494   83.070   5.1550   87.217   7.3458   79.046   7.2359  179.488   7.5738  170.861   7.8372 8.626709 10.89879 
1 1 1   12    5   42 o  340.421   5.3440  313.660   9.8273  322.075   14.108  305.729   13.697  344.852   7.5711  335.990   7.5439 8.861969 10.68792 
1 1 1   12    5   43 o  564.101   9.0558  877.502   26.416  907.036   33.204  826.576   43.601  577.869   10.633  550.332   14.662 27.53735 18.11159 
1 1 1   12    5   44 o  313.864   7.7452  267.964   13.133  260.811   18.504  275.225   18.644  309.623   11.060  318.106   10.846 -8.482880 15.49041 
1 1 1   12    5   45 o  238.456   7.8382  154.547   10.086  160.248   14.740  149.527   13.831  242.557   11.246  234.356   10.922 8.200485 15.67644 
1 1 1   12    5   46 o   52.768   12.041   7.3041   4.0118   4.7862   5.6781   9.8139   5.6689   46.558   17.145   58.978   16.912 -12.42060 24.08206 
1 1 1   12    5   47 o  212.418   5.0989  122.373   5.8507  126.709   8.3815  118.252   8.1708  216.090   7.1780  208.746   7.2437 7.344238 10.19776 
1 1 1   12    5   48 o  163.236   5.7045   72.441   5.0316   71.899   7.1219   72.980   7.1097  162.622   8.1046  163.850   8.0300 -1.227509 11.40899 
1 1 1   12    5   49 o  286.293   5.1726  222.571   8.0001  217.051   11.167  228.390   11.466  282.649   7.3117  289.937   7.3185 -7.287628 10.34511 
1 1 1   12    5   50 o  221.372   5.1785  133.268   6.1937  136.433   8.8080  130.173   8.7113  223.980   7.2775  218.763   7.3692 5.216660 10.35699 
1 1 1   12    5   51 o  432.301   6.1675  509.052   14.384  531.245   21.082  489.720   19.676  441.031   8.8461  423.571   8.5965 17.46069 12.33507 
1 1 1   12    5   52 o  283.694   5.2057  219.213   7.9793  223.952   11.369  214.613   11.201  286.722   7.3382  280.666   7.3857 6.056335 10.41145 
1 1 1   12    5   53 o  331.154   5.4848  299.350   9.8120  308.209   14.058  290.936   13.701  335.934   7.7445  326.373   7.7687 9.560486 10.96951 
1 1 1   12    5   54 o  248.391   5.2565  168.268   7.0500  174.565   10.217  162.545   9.7407  252.804   7.4789  243.977   7.3884 8.826828 10.51303 
1 1 1   12    5   55 o   46.774   12.286   4.9292   4.2175   7.1923   6.0548   2.7962   5.8782   51.559   17.842   41.990   16.895 9.569225 24.57201 
1 1 1   12    5   56 o   89.106   9.7849   22.843   4.5316   18.487   6.3600   27.334   6.4585   79.341   15.390   98.872   12.088 -19.53159 19.56973 
1 1 1   12    5   57 o   45.924   12.436   4.5949   4.3420   6.0625   6.2549   3.2299   6.0321   48.969   18.000   42.880   17.164 6.088661 24.87180 
1 1 1   12    5   58 o   94.372   9.8909   26.274   4.6810   35.808   6.7089   17.229   6.5345  113.118   10.976   75.626   16.458 37.49255 19.78187 
1 1 1   12    5   59 o   99.952   8.8838   28.471   4.7609   25.726   6.9224   30.935   6.5582   95.002   13.485  104.901   11.570 -9.898537 17.76761 
1 1 1   12    5   60 o  140.023   6.9956   54.960   5.2723   50.044   7.5103   59.737   7.4032  133.584   10.404  146.463   9.3542 -12.87943 13.99110 
1 1 1   12    5   61 o  178.657   6.2877   88.994   6.0677   92.261   8.6190   85.784   8.5436  181.986   8.7646  175.327   9.0178 6.659042 12.57533 
1 1 1   12    5   62 o  186.542   6.4619   97.381   6.5113   94.021   9.1626  100.810   9.2549  183.208   9.2552  189.876   9.0201 -6.667908 12.92372 
1 1 1   12    5   63 o   36.631   12.184  -8.4069   6.0924  -1.0419   9.5464 -13.4677   7.9134   43.616   19.558   29.647   14.534 13.96909 24.36747 
1 1 1   12    5   64 o  174.690   9.4408   91.931   8.8818   86.892   11.978   98.086   13.237  169.814   13.054  179.566   13.642 -9.752777 18.88158 
1 1 1   12    5   65 o   37.506   12.617  -7.6806   7.0260  -5.3221   9.8298 -10.1441   10.046   38.984   18.314   36.027   17.360 2.957630 25.23419 
1 1 1   12    6    0 o  140.711   4.1646   53.466   3.1612   54.329   4.6218   52.708   4.3335  141.775   6.0328  139.647   5.7427 2.127731 8.329103 
1 1 1   12    6    1 f  136.182   6.1112   50.127   4.4971   50.127   4.4971   0.0000   0.0000  136.182   6.1112  ?   ?       ?      ? 
1 1 1   12    6    2 o  225.333   4.1480  137.264   5.0488  136.158   7.2206  138.322   7.0623  224.443   5.9536  226.223   5.7773 -1.779449 8.295910 
1 1 1   12    6    3 o  285.057   4.4912  219.660   6.9170  218.610   9.8546  220.679   9.7110  284.384   6.4128  285.729   6.2896 -1.344879 8.982374 
1 1 1   12    6    4 o  464.306   6.1341  582.960   15.390  580.004   21.748  585.926   21.782  463.126   8.6902  465.486   8.6596 -2.359955 12.26819 
1 1 1   12    6    6 o  449.230   5.9959  545.634   14.554  538.631   20.435  552.844   20.733  446.306   8.4731  452.155   8.4859 -5.849670 11.99183 
1 1 1   12    6    7 o  561.244   7.1420  852.095   21.660  854.114   30.758  850.109   30.506  561.901   10.130  560.586   10.071 1.314941 14.28403 
1 1 1   12    6    8 o  835.953   10.199  1892.92   46.069  1885.95   64.969  1899.96   65.336  834.408   14.409  837.498   14.437 -3.089478 20.39734 
1 1 1   12    6    9 o   71.860   5.6952   14.120   2.1855   11.977   3.1527   16.103   3.0323   66.546   8.7674   77.174   7.2713 -10.62796 11.39033 
1 1 1   12    6   10 o  669.386   8.3413  1212.12   30.158  1189.62   41.907  1236.29   43.435  662.957   11.698  675.815   11.894 -12.85889 16.68255 
1 1 1   12    6   11 o  104.668   6.3356   29.616   3.5834   0.0000   0.0000   29.616   3.5834  ?   ?   104.668   6.3356      ?      ? 
1 1 1   12    6   12 o  355.716   5.0666  341.999   9.7389   0.0000   0.0000  341.999   9.7389  ?   ?   355.716   5.0666      ?      ? 
1 1 1   12    6   13 o  571.302   7.2576  882.526   22.405   0.0000   0.0000  882.526   22.405  ?   ?   571.302   7.2576      ?      ? 
1 1 1   12    6   14 o  146.720   5.2241   58.184   4.1418   0.0000   0.0000   58.184   4.1418  ?   ?   146.720   5.2241      ?      ? 
1 1 1   12    6   15 o  231.999   5.6365  145.484   7.0661   0.0000   0.0000  145.484   7.0661  ?   ?   231.999   5.6365      ?      ? 
1 1 1   12    6   16 o  319.271   6.9282  273.763   11.906  299.324   17.820  253.153   16.001  332.631   9.9144  305.912   9.6800 26.71899 13.85631 
1 1 1   12    6   17 o  765.315   9.3953  1585.24   38.838  1611.55   55.893  1560.67   54.007  771.438   13.408  759.193   13.165 12.24542 18.79051 
1 1 1   12    6   18 o  457.397   7.4784  562.595   17.144  575.000   30.797  557.025   20.638  460.922   12.365  453.872   8.4147 7.050018 14.95676 
1 1 1   12    6   19 o  199.150   3.9891  107.415   4.2838  100.957   6.1207  113.614   5.9975  193.269   5.8608  205.031   5.4133 -11.76299 7.978223 
1 1 1   12    6   20 o  393.193   7.6097  417.952   16.168   0.0000   0.0000  417.952   16.168  ?   ?   393.193   7.6097      ?      ? 
1 1 1   12    6   21 o  287.948   4.5040  224.076   7.0066  225.526   10.026  222.691   9.7952  288.858   6.4236  287.039   6.3152 1.819397 9.007957 
1 1 1   12    6   22 o  700.068   8.6528  1325.66   32.729  1313.10   45.869  1338.69   46.715  696.693   12.184  703.443   12.290 -6.749207 17.30568 
1 1 1   12    6   23 o  400.195   5.5103  432.886   11.915  436.032   16.967  429.823   16.737  401.630   7.8179  398.761   7.7676 2.868469 11.02062 
1 1 1   12    6   24 o  437.697   8.3125  517.893   19.660   0.0000   0.0000  517.893   19.660  ?   ?   437.697   8.3125      ?      ? 
1 1 1   12    6   25 o  1156.01   16.980  3629.73  100.147  3623.87  172.796  3632.69  122.891  1154.38   27.701  1157.64   19.645 -3.267700 33.96017 
1 1 1   12    6   26 o  1073.89   15.855  3116.73   86.284  3166.67  151.537  3092.78  104.960  1079.43   25.980  1068.36   18.181 11.06616 31.70970 
1 1 1   12    6   27 o  553.250   8.5513  833.924   24.500  849.175   30.707  807.207   40.643  560.366   10.141  546.134   13.772 14.23230 17.10269 
1 1 1   12    6   28 o  814.199   9.9968  1790.29   43.900  1858.80   64.500  1731.16   59.921  828.649   14.405  799.749   13.865 28.90063 19.99356 
1 1 1   12    6   29 f  674.781   11.788  1230.48   42.893  1185.81   58.438  1282.66   63.156  661.576   16.347  687.986   16.988 -26.40991 23.57558 
1 1 1   12    6   30 o  201.391   5.7508  109.372   6.2472  118.896   9.0802  100.811   8.6085  209.696   8.0134  193.086   8.2507 16.61061 11.50166 
1 1 1   12    6   31 o  560.679   10.033  848.905   30.331  888.288   44.706  815.315   41.287  572.668   14.447  548.690   13.925 23.97754 20.06547 
1 1 1   12    6   32 o  555.135   8.6721  839.289   24.897  852.285   31.128  816.216   41.477  561.287   10.263  548.982   13.982 12.30579 17.34428 
1 1 1   12    6   33 o  350.685   5.3686  332.411   10.172  339.908   14.546  325.237   14.229  354.553   7.5921  346.817   7.5927 7.735840 10.73730 
1 1 1   12    6   34 o  398.519   5.7781  426.509   12.391  461.995   18.596  398.175   16.617  413.316   8.3263  383.721   8.0138 29.59500 11.55630 
1 1 1   12    6   35 o  532.546   7.0099  766.853   20.162  786.747   29.100  748.487   27.960  539.176   9.9880  525.916   9.8385 13.26062 14.01981 
1 1 1   12    6   36 o  188.083   5.2926   95.771   5.3736   98.953   7.5211   92.452   7.6804  191.283   7.2764  184.883   7.6877 6.400208 10.58519 
1 1 1   12    6   37 o  542.189   7.1279  795.893   20.883  796.392   29.447  795.388   29.620  542.364   10.048  542.014   10.113 0.3493652 14.25577 
1 1 1   12    6   38 o  397.978   5.7945  427.832   12.448  446.934   18.127  410.786   17.124  406.363   8.2552  389.593   8.1338 16.76981 11.58909 
1 1 1   12    6   39 o  407.448   5.8612  449.395   12.905  449.939   18.235  448.849   18.264  407.696   8.2773  407.200   8.3006 0.4963684 11.72238 
1 1 1   12    6   40 o  377.436   5.6203  385.445   11.459  393.951   16.465  377.456   15.958  381.468   7.9877  373.404   7.9087 8.064209 11.24059 
1 1 1   12    6   41 o  302.740   5.1712  246.581   8.4304  267.326   12.577  229.654   11.360  314.223   7.4071  291.257   7.2182 22.96548 10.34249 
1 1 1   12    6   42 o  524.041   6.9436  744.910   19.659  755.455   28.121  734.831   27.494  527.658   9.8624  520.424   9.7768 7.233276 13.88716 
1 1 1   12    6   43 o  214.460   6.7035  124.243   7.0407  123.449   8.3372  126.216   13.146  213.474   7.2275  215.446   11.292 -1.972168 13.40699 
1 1 1   12    6   44 o  151.047   9.9210   62.321   8.0676   55.293   11.196   69.910   11.635  142.128   14.579  159.966   13.460 -17.83865 19.84199 
1 1 1   12    6   45 f  101.933   13.084   29.824   6.8924   39.685   9.7920   20.142   9.7033  120.318   15.061   83.547   21.399 36.77023 26.16750 
1 1 1   12    6   46 o  165.010   5.6446   73.910   5.0287   69.865   7.0569   78.083   7.1677  160.408   8.1415  169.612   7.8205 -9.204086 11.28912 
1 1 1   12    6   47 o   85.476   9.1570   20.021   4.2270   19.613   5.8571   20.465   6.1064   84.580   12.815   86.373   13.083 -1.792305 18.31409 
1 1 1   12    6   48 o  276.424   5.1587  207.401   7.7025  215.599   11.032  199.604   10.759  281.760   7.2459  271.088   7.3447 10.67239 10.31735 
1 1 1   12    6   49 o  120.163   6.8110   39.403   4.4218   38.426   6.2138   40.405   6.2938  118.647   9.6919  121.679   9.5722 -3.032303 13.62206 
1 1 1   12    6   50 o  260.746   5.0986  184.961   7.1833  187.004   10.139  182.903   10.178  262.205   7.1560  259.287   7.2646 2.917938 10.19725 
1 1 1   12    6   51 o  187.915   7.5418   96.185   7.6582   0.0000   0.0000   96.185   7.6582  ?   ?   187.915   7.5418      ?      ? 
1 1 1   12    6   52 o  171.144   5.5687   79.927   5.1494   81.608   7.3179   78.277   7.2473  172.936   7.8310  169.351   7.9195 3.585114 11.13744 
1 1 1   12    6   53 o  249.445   5.2210  169.762   7.0361  174.478   10.045  165.218   9.8591  252.857   7.3514  246.034   7.4158 6.823151 10.44205 
1 1 1   12    6   54 o  316.349   5.4021  272.908   9.2207  259.909   12.624  287.772   13.500  308.328   7.5772  324.371   7.7018 -16.04269 10.80424 
1 1 1   12    6   55 o  103.699   7.9936   29.928   4.4696   27.781   6.3297   32.063   6.3124   99.873   11.729  107.524   10.864 -7.650879 15.98724 
1 1 1   12    6   56 o  155.266   6.0824   66.300   5.0960   61.607   7.1165   71.238   7.3007  149.563   8.8055  160.970   8.3933 -11.40619 12.16487 
1 1 1   12    6   57 o   73.035   11.097   16.135   4.4516   23.769   6.2864   8.4565   6.3047   91.774   12.676   54.296   18.219 37.47816 22.19481 
1 1 1   12    6   58 o   80.447   10.778   18.987   4.5382   25.375   6.6464   13.407   6.2115   94.546   13.009   66.348   17.187 28.19789 21.55561 
1 1 1   12    6   59 o   43.220   12.313   3.0637   4.4593   5.1001   6.5121   1.2656   6.1191   47.048   18.129   39.391   16.666 7.657425 24.62542 
1 1 1   12    6   60 o  136.587   7.3100   52.291   5.3776   57.926   7.7085   46.949   7.5056  143.955   9.9096  129.219   10.749 14.73616 14.61997 
1 1 1   12    6   61 o   52.418   13.288   7.8076   4.9444   4.5064   7.0584   10.988   6.9283   45.974   18.508   58.862   19.072 -12.88849 26.57610 
1 1 1   12    6   62 o  194.668   9.2577  111.849   9.4914  132.117   13.031   88.941   13.853  215.594   11.185  173.741   14.755 41.85339 18.51547 
1 1 1   12    6   63 o   67.023   15.779   14.895   7.4628   22.793   10.057   5.2185   11.132   81.378   22.238   52.669   22.390 28.70842 31.55710 
1 1 1   12    6   64 o  204.226   7.6695  118.959   8.0892  113.462   9.9805  129.482   13.810  199.448   9.2605  209.004   12.228 -9.555542 15.33897 
1 1 1   12    6   65 o  237.976   5.9787  159.605   7.6737  171.047   11.272  149.723   10.476  245.857   8.4848  230.094   8.4255 15.76280 11.95744 
1 1 1   12    7    2 o  657.084   8.2389  1167.45   29.232  1192.41   42.318  1144.66   40.428  663.784   11.798  650.384   11.503 13.39984 16.47785 
1 1 1   12    7    3 o  360.386   7.3509  351.136   14.315  351.136   14.315   0.0000   0.0000  360.386   7.3509  ?   ?       ?      ? 
1 1 1   12    7    4 o  338.955   5.0190  310.620   9.1921  306.561   13.003  314.675   12.996  336.740   7.1460  341.170   7.0495 -4.429779 10.03797 
1 1 1   12    7    6 o  387.961   7.6480  406.962   16.033   0.0000   0.0000  406.962   16.033  ?   ?   387.961   7.6480      ?      ? 
1 1 1   12    7    9 o  109.612   6.7676   32.482   4.0085   0.0000   0.0000   32.482   4.0085  ?   ?   109.612   6.7676      ?      ? 
1 1 1   12    7   10 o  337.546   5.0285  308.047   9.1715  303.722   12.926  312.432   13.015  335.159   7.1372  339.932   7.0855 -4.773438 10.05703 
1 1 1   12    7   11 o  396.225   5.5187  424.363   11.816   0.0000   0.0000  424.363   11.816  ?   ?   396.225   5.5187      ?      ? 
1 1 1   12    7   13 o  332.413   4.9339  298.648   8.8626   0.0000   0.0000  298.648   8.8626  ?   ?   332.413   4.9339      ?      ? 
1 1 1   12    7   14 o  292.205   4.6458  230.758   7.3356   0.0000   0.0000  230.758   7.3356  ?   ?   292.205   4.6458      ?      ? 
1 1 1   12    7   15 o  1025.15   17.603  2850.90   97.514   0.0000   0.0000  2850.90   97.514  ?   ?   1025.15   17.603      ?      ? 
1 1 1   12    7   16 o  374.546   7.6495  376.973   15.416  352.703   20.664  407.432   23.149  361.056   10.591  388.036   11.040 -26.97989 15.29901 
1 1 1   12    7   17 o  127.302   5.6066   39.371   3.2908   52.613   7.1606   35.826   3.7052  139.475   9.5008  115.129   5.9559 24.34661 11.21329 
1 1 1   12    7   20 o  477.924   8.8669  617.588   22.899   0.0000   0.0000  617.588   22.899  ?   ?   477.924   8.8669      ?      ? 
1 1 1   12    7   21 o  262.188   6.0824  185.790   8.6173   0.0000   0.0000  185.790   8.6173  ?   ?   262.188   6.0824      ?      ? 
1 1 1   12    7   22 o  615.804   7.7426  1025.55   25.764  1025.45   36.505  1025.64   36.367  615.776   10.971  615.832   10.929 -0.5621338E-01 15.48515 
1 1 1   12    7   23 f  708.457   12.399  1357.71   47.467   0.0000   0.0000  1357.71   47.467  ?   ?   708.457   12.399      ?      ? 
1 1 1   12    7   24 o  206.327   5.9690  115.053   6.6549   0.0000   0.0000  115.053   6.6549  ?   ?   206.327   5.9690      ?      ? 
1 1 1   12    7   25 o  438.217   7.1988  507.593   15.811  550.450   28.794  489.092   18.919  451.092   11.813  425.342   8.2312 25.75073 14.39762 
1 1 1   12    7   26 o  585.873   10.373  927.456   32.789  958.784   47.977  900.000   44.914  595.120   14.919  576.626   14.415 18.49457 20.74511 
1 1 1   12    7   27 o  339.064   6.8334  310.508   12.507  318.468   18.195  303.378   17.219  343.174   9.8119  334.954   9.5137 8.220215 13.66688 
1 1 1   12    7   28 o  715.600   12.450  1375.99   47.827  1290.54   63.411  1488.74   72.839  690.126   17.004  741.073   18.189 -50.94745 24.89942 
1 1 1   12    7   29 o  491.107   7.8411  654.272   19.913  658.522   24.836  646.622   33.322  493.448   9.3142  488.766   12.617 4.681152 15.68228 
1 1 1   12    7   30 o  694.219   8.6739  1304.50   32.538  1307.96   46.094  1301.06   45.939  695.136   12.271  693.303   12.262 1.832825 17.34770 
1 1 1   12    7   31 o  200.323   4.8937  108.386   5.2946  113.251   7.6091  103.821   7.3719  204.677   6.8798  195.969   6.9615 8.707397 9.787467 
1 1 1   12    7   32 o  692.221   8.6764  1296.69   32.445  1318.13   46.575  1276.48   45.222  697.768   12.353  686.674   12.187 11.09326 17.35277 
1 1 1   12    7   33 o  411.037   8.3366  456.912   18.516   0.0000   0.0000  456.912   18.516  ?   ?   411.037   8.3366      ?      ? 
1 1 1   12    7   34 o  693.857   8.7170  1303.08   32.670  1325.22   47.023  1282.42   45.422  699.537   12.440  688.177   12.215 11.36005 17.43396 
1 1 1   12    7   35 o  592.747   7.6404  949.874   24.446  980.568   35.588  922.450   33.638  601.784   10.944  583.709   10.665 18.07471 15.28086 
1 1 1   12    7   36 o  387.755   5.7164  406.728   11.978  406.800   16.914  406.655   16.964  387.791   8.0715  387.720   8.0969 0.7101440E-01 11.43286 
1 1 1   12    7   37 o   65.243   11.580   12.031   4.0778   12.465   5.7243   11.584   5.8104   66.403   16.116   64.084   16.634 2.319046 23.16071 
1 1 1   12    7   38 o  246.398   5.1193  164.166   6.8140  169.484   9.7668  159.124   9.5112  250.284   7.2216  242.512   7.2580 7.771973 10.23862 
1 1 1   12    7   39 o  292.744   5.1570  231.843   8.1565  237.807   11.634  226.077   11.439  296.447   7.2626  289.040   7.3236 7.407104 10.31406 
1 1 1   12    7   40 o  311.886   5.2337  263.180   8.8182  270.000   12.643  256.720   12.305  315.818   7.4085  307.954   7.3947 7.863068 10.46743 
1 1 1   12    7   41 f  431.958   6.0941  504.963   14.211  521.495   20.655  490.103   19.583  438.647   8.7141  425.268   8.5215 13.37811 12.18822 
1 1 1   12    7   42 o  330.308   5.3479  294.606   9.5275  311.415   14.008  280.136   12.997  339.038   7.6460  321.579   7.4792 17.45825 10.69581 
1 1 1   12    7   43 o   83.115   12.792   17.683   5.0117   15.461   5.7727   24.482   10.099   73.893   14.970   92.337   20.747 -18.44383 25.58383 
1 1 1   12    7   44 o  192.149   8.4657  100.686   8.7887  101.824   12.374   99.527   12.485  193.263   11.849  191.035   12.095 2.228348 16.93134 
1 1 1   12    7   45 o  109.729   12.194   33.245   7.2154   34.369   10.008   32.027   10.413  111.748   16.573  107.710   17.891 4.038208 24.38721 
1 1 1   12    7   46 f  130.493   6.4881   46.253   4.5601   51.652   6.5879   41.287   6.3185  137.825   8.8457  123.162   9.4940 14.66250 12.97622 
1 1 1   12    7   47 o  134.727   6.2433   49.404   4.5447   50.275   6.4319   48.536   6.4226  135.921   8.7572  133.534   8.9008 2.386932 12.48651 
1 1 1   12    7   48 o  107.058   7.4512   31.314   4.3036   33.739   6.1490   28.986   6.0252  111.154   10.238  102.963   10.829 8.191040 14.90242 
1 1 1   12    7   49 o  324.562   5.3641  286.144   9.4003  297.633   13.626  275.710   12.985  330.759   7.6235  318.366   7.5482 12.39273 10.72815 
1 1 1   12    7   50 o  243.534   5.1315  161.338   6.7515  156.957   9.4537  165.898   9.6454  240.154   7.2849  246.913   7.2291 -6.759186 10.26303 
1 1 1   12    7   51 o  229.166   5.1688  143.024   6.4006  142.715   9.0680  143.331   9.0358  228.914   7.3308  229.418   7.2887 -0.5036621 10.33755 
1 1 1   12    7   52 o  226.867   5.2322  140.382   6.4140  141.960   9.1112  138.831   9.0307  228.133   7.3909  225.600   7.4079 2.532852 10.46436 
1 1 1   12    7   53 o  336.833   5.5255  309.053   10.036  326.286   14.789  294.343   13.664  345.453   7.9227  328.214   7.7044 17.23944 11.05110 
1 1 1   12    7   54 f  327.988   5.4908  294.315   9.7280  300.530   13.991  288.500   13.535  331.310   7.8151  324.666   7.7150 6.644440 10.98163 
1 1 1   12    7   55 o  118.082   7.3540   38.522   4.6736   33.999   6.4545   43.508   6.7762  110.702   10.790  125.462   9.9951 -14.75993 14.70796 
1 1 1   12    7   56 o  190.591   5.6959   99.781   5.8563  107.682   8.3747   92.220   8.1923  198.062   7.8249  183.120   8.2791 14.94217 11.39181 
1 1 1   12    7   57 o  149.303   6.4988   61.871   5.2227   67.657   7.3587   55.999   7.4135  156.541   8.6993  142.064   9.6572 14.47617 12.99767 
1 1 1   12    7   58 o  102.426   8.6987   29.473   4.7350   37.160   6.9700   22.885   6.4524  115.149   11.202   89.704   13.311 25.44572 17.39749 
1 1 1   12    7   59 o   63.280   12.813   12.316   4.6593   14.915   6.7076   9.8932   6.4769   69.364   17.805   57.197   18.430 12.16729 25.62636 
1 1 1   12    7   60 o  292.419   6.7177  230.826   9.9443  261.487   17.886  217.108   11.964  304.561   10.868  280.277   7.8995 24.28391 13.43543 
1 1 1   12    7   61 o   94.692   13.742   28.944   6.7954   29.955   9.7085   27.973   9.5148   96.463   19.299   92.920   19.568 3.543175 27.48393 
1 1 1   12    7   62 o  170.594   9.4454   81.243   8.4589   58.941   10.971  113.941   13.284  141.908   14.307  199.280   12.336 -57.37160 18.89073 
1 1 1   12    7   63 o  120.251   9.1572   42.906   5.9430   44.945   8.3795   40.843   8.4301  123.443   12.562  117.059   13.327 6.384285 18.31447 
1 1 1   12    7   64 o  158.701   7.2585   71.407   6.1648   86.596   9.2062   59.060   8.3006  174.259   9.7767  143.142   10.731 31.11722 14.51706 
1 1 1   12    7   65 o  116.615   9.1107   41.219   5.7156   40.253   8.4022   42.052   7.7977  114.667   13.560  118.563   12.171 -3.895218 18.22131 
1 1 1   12    8    0 o  679.471   8.4790  1249.51   31.128  1257.48   44.410  1241.80   43.644  681.596   12.058  677.346   11.924 4.250061 16.95809 
1 1 1   12    8    3 o  186.239   4.4585   92.959   4.4676  103.593   6.6939   84.418   5.9992  195.761   6.3280  176.717   6.2824 19.04370 8.916951 
1 1 1   12    8    4 o  444.114   6.0028  533.167   14.402  522.394   20.104  544.524   20.642  439.509   8.4651  448.719   8.5133 -9.210358 12.00556 
1 1 1   12    8    5 o  392.240   5.5426  416.026   11.747  415.399   16.683  416.643   16.544  391.945   7.8772  392.534   7.7995 -0.5895386 11.08525 
1 1 1   12    8    6 o  1042.75   12.602  2949.10   70.981  2901.51   98.780  2999.91  102.065  1034.09   17.678  1051.41   17.965 -17.31592 25.20360 
1 1 1   12    8    7 o  219.062   4.5509  129.417   5.3800  136.025   7.8581  123.587   7.3812  224.312   6.4830  213.812   6.3886 10.49965 9.101820 
1 1 1   12    8    8 o  360.351   5.3130  350.921   10.340  357.327   14.911  344.986   14.352  363.514   7.5909  357.188   7.4357 6.326599 10.62596 
1 1 1   12    8    9 o  323.129   5.0210  282.323   8.7668  280.890   12.429  283.742   12.368  322.312   7.1361  323.946   7.0654 -1.634460 10.04206 
1 1 1   12    8   10 o  280.616   5.3133  216.162   7.8061  199.009   12.435  227.319   10.028  271.257   8.4832  289.975   6.4001 -18.71765 10.62667 
1 1 1   12    8   11 o  383.767   7.8927  398.260   16.367   0.0000   0.0000  398.260   16.367  ?   ?   383.767   7.8927      ?      ? 
1 1 1   12    8   12 o  200.318   5.7460  108.465   6.2198   0.0000   0.0000  108.465   6.2198  ?   ?   200.318   5.7460      ?      ? 
1 1 1   12    8   13 o  798.763   9.7957  1725.99   42.281   0.0000   0.0000  1725.99   42.281  ?   ?   798.763   9.7957      ?      ? 
1 1 1   12    8   14 o  114.739   9.1127   35.608   5.6500   0.0000   0.0000   35.608   5.6500  ?   ?   114.739   9.1127      ?      ? 
1 1 1   12    8   15 o  799.666   14.001  1731.71   60.499   0.0000   0.0000  1731.71   60.499  ?   ?   799.666   14.001      ?      ? 
1 1 1   12    8   16 o  1051.12   14.682  2999.73   72.046  2997.75  144.463  3000.38   83.121  1049.66   25.469  1052.59   14.614 -2.924683 29.36420 
1 1 1   12    8   17 o  761.036   11.444  1586.36   45.080  1507.21   74.469  1632.14   56.636  745.573   18.484  776.498   13.498 -30.92462 22.88784 
1 1 1   12    8   18 o  619.844   7.8070  1039.01   26.144  1023.85   36.537  1054.92   37.425  615.216   10.990  624.472   11.091 -9.256409 15.61402 
1 1 1   12    8   19 o  1063.41   12.811  3064.66   73.617  3060.68  104.031  3068.66  104.190  1062.72   18.116  1064.10   18.120 -1.383179 25.62245 
1 1 1   12    8   20 o  1010.66   12.204  2766.45   66.645  2743.15   93.572  2790.44   94.943  1006.35   17.207  1014.97   17.311 -8.621033 24.40803 
1 1 1   12    8   21 o  199.428   8.8522  107.522   9.5395  107.522   9.5395   0.0000   0.0000  199.428   8.8522  ?   ?       ?      ? 
1 1 1   12    8   22 o  321.534   6.6226  253.105   10.756  357.883   20.061  210.833   12.742  363.801   10.205  279.267   8.4438 84.53442 13.24521 
1 1 1   12    8   23 o  823.270   14.159  1836.78   62.969  1860.81   90.460  1814.19   87.706  828.467   20.207  818.073   19.840 10.39368 28.31866 
1 1 1   12    8   24 o  482.704   8.8196  630.405   23.004  624.099   32.532  636.712   32.532  480.286   12.535  485.121   12.410 -4.835419 17.63918 
1 1 1   12    8   25 o  298.259   6.3676  227.938   9.9022  289.640   16.950  195.969   12.201  327.283   9.5842  269.234   8.3863 58.04974 12.73522 
1 1 1   12    8   26 o  557.695   8.7493  826.655   24.578  801.767   29.576  882.207   44.186  544.499   10.052  570.892   14.323 -26.39301 17.49855 
1 1 1   12    8   27 o  187.965   5.5425   96.459   5.3858   92.207   8.9386   98.882   6.7484  184.663   8.9578  191.266   6.5295 -6.602417 11.08492 
1 1 1   12    8   28 o  520.546   13.269  733.558   37.325   0.0000   0.0000  733.558   37.325  ?   ?   520.546   13.269      ?      ? 
1 1 1   12    8   29 o  329.010   9.5776  292.793   17.028   0.0000   0.0000  292.793   17.028  ?   ?   329.010   9.5776      ?      ? 
1 1 1   12    8   30 o  164.665   5.3011   72.725   4.6981   81.132   7.0130   65.880   6.3278  173.230   7.4919  156.100   7.5018 17.13028 10.60217 
1 1 1   12    8   31 f  258.827   7.0357  181.115   9.8402   0.0000   0.0000  181.115   9.8402  ?   ?   258.827   7.0357      ?      ? 
1 1 1   12    8   32 o  741.646   9.2401  1489.57   37.030  1494.85   52.597  1484.37   52.142  742.947   13.101  740.346   13.034 2.601013 18.48021 
1 1 1   12    8   33 o  489.644   6.6422  648.518   17.573  642.714   24.687  654.481   25.021  487.424   9.3729  491.863   9.4140 -4.439117 13.28437 
1 1 1   12    8   34 o  698.823   8.7782  1323.00   33.148  1326.59   47.036  1319.46   46.722  699.760   12.439  697.886   12.389 1.874573 17.55650 
1 1 1   12    8   35 o  668.899   8.4628  1211.78   30.584  1224.83   43.715  1199.27   42.804  672.417   12.031  665.382   11.905 7.034973 16.92564 
1 1 1   12    8   36 o  271.896   5.1483  199.308   7.5504  211.321   11.092  188.935   10.307  279.502   7.3441  264.289   7.2170 15.21329 10.29666 
1 1 1   12    8   37 o  496.569   6.7062  667.773   17.994  664.683   25.373  670.899   25.523  495.414   9.4780  497.724   9.4899 -2.309875 13.41235 
1 1 1   12    8   38 o  343.348   7.7289  319.049   14.340   0.0000   0.0000  319.049   14.340  ?   ?   343.348   7.7289      ?      ? 
1 1 1   12    8   39 o   66.192   11.541   12.340   4.1048   13.902   6.0012   10.968   5.6270   70.053   16.180   62.330   16.462 7.723152 23.08206 
1 1 1   12    8   40 o  500.907   6.7708  679.853   18.316  693.969   26.453  666.853   25.385  505.879   9.6771  495.935   9.4726 9.944000 13.54161 
1 1 1   12    8   41 f  149.359   5.9735   60.095   4.8001   68.614   7.0746   52.827   6.5342  159.120   8.2278  139.598   8.6621 19.52292 11.94697 
1 1 1   12    8   42 o  136.630   6.3189   50.494   4.6576   54.567   6.7854   46.866   6.4048  141.828   8.8537  131.431   9.0181 10.39732 12.63785 
1 1 1   12    8   43 o  166.166   7.9146   73.388   6.4062   71.142   7.5174   79.347   12.243  161.897   8.5929  170.435   13.294 -8.538498 15.82926 
1 1 1   12    8   44 o  184.767   9.0892   93.538   9.0433   99.504   12.572   87.140   13.018  190.993   12.181  178.540   13.494 12.45294 18.17847 
1 1 1   12    8   45 f  101.985   14.038   31.586   7.5240   47.185   10.410   14.523   10.887  131.091   14.695   72.878   23.924 58.21317 28.07666 
1 1 1   12    8   46 o   32.511   10.164  -3.7861   3.8713  -9.9528   5.6359   1.7230   5.3269   25.832   12.577   39.191   15.969 -13.35919 20.32747 
1 1 1   12    8   47 o  578.460   7.5873  914.157   23.714  922.200   33.808  906.368   33.272  580.940   10.770  575.979   10.690 4.960815 15.17461 
1 1 1   12    8   48 o  232.303   5.1924  146.648   6.5176  148.076   9.2713  145.254   9.1643  233.419   7.3505  231.188   7.3358 2.231934 10.38478 
1 1 1   12    8   49 o  124.584   6.7615   42.472   4.5199   49.197   6.4974   36.165   6.2919  134.240   8.9571  114.929   10.131 19.31086 13.52307 
1 1 1   12    8   50 o  117.463   7.1149   37.859   4.4923   33.053   6.2813   42.891   6.4274  109.732   10.593  125.193   9.5009 -15.46180 14.22971 
1 1 1   12    8   51 o  147.672   6.1603   59.550   4.8941   67.507   7.0730   52.241   6.7788  157.200   8.3265  138.144   9.0810 19.05542 12.32054 
1 1 1   12    8   52 o   81.238   9.7376   18.585   4.1720   20.876   6.1665   16.651   5.6654   86.523   13.189   75.953   14.329 10.56979 19.47521 
1 1 1   12    8   53 o  262.080   5.2711  187.667   7.4648  187.990   10.583  187.348   10.531  262.299   7.4668  261.861   7.4422 0.4385376 10.54221 
1 1 1   12    8   54 o  112.460   7.6563   34.902   4.6400   38.649   6.8081   31.651   6.3406  118.113   10.667  106.807   10.986 11.30650 15.31268 
1 1 1   12    8   55 o  167.360   5.9132   76.766   5.3301   85.938   7.7393   68.491   7.3514  176.932   8.0948  157.787   8.6221 19.14473 11.82650 
1 1 1   12    8   56 f  174.663   5.7907   83.986   5.4533   77.129   7.6661   91.010   7.7591  167.329   8.4784  181.998   7.8897 -14.66917 11.58147 
1 1 1   12    8   57 o  309.141   5.5313  262.726   9.2345  268.408   13.342  257.502   12.794  312.287   7.9064  305.995   7.7376 6.291504 11.06269 
1 1 1   12    8   58 o  142.664   6.8553   56.606   5.2689   56.197   7.7383   56.958   7.1941  142.021   10.083  143.307   9.2900 -1.286575 13.71058 
1 1 1   12    8   59 o  154.680   8.5252   68.123   7.1023   62.950   10.139   73.108   9.9524  148.531   12.632  160.829   11.452 -12.29839 17.05034 
1 1 1   12    8   60 o   81.165   14.568   21.581   6.4920   26.712   9.3724   16.849   9.0011   91.184   19.604   71.147   21.553 20.03753 29.13533 
1 1 1   12    8   61 o  142.268   9.8612   59.143   7.5736   60.743   11.005   57.703   10.438  143.935   14.150  140.602   13.739 3.332397 19.72249 
1 1 1   12    8   62 o  144.850   8.0377   60.385   6.2178   67.499   8.5723   52.486   9.0325  154.643   10.258  135.056   12.377 19.58711 16.07537 
1 1 1   12    8   63 o  140.702   7.9732   58.101   6.0613   59.276   8.6009   56.941   8.5435  142.197   11.193  139.208   11.358 2.989716 15.94633 
1 1 1   12    8   64 o   56.736   14.184   10.751   5.4329   10.250   7.7283   11.241   7.6391   55.741   20.081   57.732   20.037 -1.991165 28.36761 
1 1 1   12    9    1 o  707.208   8.8105  1353.88   33.662  1369.50   48.212  1339.01   47.021  711.178   12.546  703.238   12.374 7.939880 17.62103 
1 1 1   12    9    2 o  467.342   6.2801  590.758   15.859  587.224   22.411  594.303   22.446  465.941   8.9011  468.743   8.8617 -2.802307 12.56023 
1 1 1   12    9    3 o  445.592   8.5638  537.017   20.620   0.0000   0.0000  537.017   20.620  ?   ?   445.592   8.5638      ?      ? 
1 1 1   12    9    4 o  451.863   6.1393  552.165   14.989  543.927   21.032  560.667   21.367  448.439   8.6796  455.287   8.6849 -6.848083 12.27858 
1 1 1   12    9    5 o  631.110   11.344  1078.18   38.686   0.0000   0.0000  1078.18   38.686  ?   ?   631.110   11.344      ?      ? 
1 1 1   12    9    6 o  327.416   7.2139  289.861   12.763   0.0000   0.0000  289.861   12.763  ?   ?   327.416   7.2139      ?      ? 
1 1 1   12    9    7 o  483.833   6.4483  633.248   16.859  631.024   23.841  635.472   23.843  482.982   9.1348  484.684   9.1038 -1.701447 12.89668 
1 1 1   12    9    8 o  222.660   4.6073  134.117   5.5397  129.932   7.8881  138.189   7.7816  219.227   6.6587  226.092   6.3693 -6.864929 9.214519 
1 1 1   12    9   10 o  211.105   4.9486  122.542   5.4748  111.329   8.6620  130.002   7.0650  202.906   7.9001  219.303   5.9618 -16.39651 9.897227 
1 1 1   12    9   11 o  572.079   7.3730  884.869   22.792   0.0000   0.0000  884.869   22.792  ?   ?   572.079   7.3730      ?      ? 
1 1 1   12    9   12 o  186.001   5.9248   93.515   5.9549   0.0000   0.0000   93.515   5.9549  ?   ?   186.001   5.9248      ?      ? 
1 1 1   12    9   13 o  889.649   15.449  2144.50   74.271   0.0000   0.0000  2144.50   74.271  ?   ?   889.649   15.449      ?      ? 
1 1 1   12    9   14 o  286.862   7.3471  222.465   11.389   0.0000   0.0000  222.465   11.389  ?   ?   286.862   7.3471      ?      ? 
1 1 1   12    9   15 o  216.808   6.0435  127.050   7.0803   0.0000   0.0000  127.050   7.0803  ?   ?   216.808   6.0435      ?      ? 
1 1 1   12    9   16 o  901.916   12.634  2201.39   61.576   0.0000   0.0000  2201.39   61.576  ?   ?   901.916   12.634      ?      ? 
1 1 1   12    9   17 o  582.228   14.657  917.793   46.114   0.0000   0.0000  917.793   46.114  ?   ?   582.228   14.657      ?      ? 
1 1 1   12    9   18 o  609.639   10.835  1004.09   35.622  1039.41   52.359  973.648   48.605  619.574   15.639  599.705   14.999 19.86884 21.66907 
1 1 1   12    9   19 o  508.374   9.3025  696.917   25.475  727.703   37.840  671.396   34.453  518.588   13.503  498.159   12.799 20.42899 18.60494 
1 1 1   12    9   20 o  713.126   12.439  1372.90   47.827  1314.86   65.043  1441.22   70.570  696.802   17.274  729.451   17.904 -32.64899 24.87859 
1 1 1   12    9   21 o  402.081   7.7750  434.813   16.802  459.459   25.363  415.540   22.428  412.164   11.388  391.998   10.588 20.16620 15.54994 
1 1 1   12    9   22 o  1093.68   16.177  3222.32   89.287  3180.16  108.061  3313.06  158.513  1083.34   18.459  1104.03   26.570 -20.68872 32.35325 
1 1 1   12    9   23 o  633.500   11.343  1085.52   38.828   0.0000   0.0000  1085.52   38.828  ?   ?   633.500   11.343      ?      ? 
1 1 1   12    9   24 o  658.900   8.2804  1171.76   29.437  1128.88   40.291  1220.87   43.112  646.008   11.542  671.792   11.876 -25.78369 16.56079 
1 1 1   12    9   25 o  198.569   6.3108  106.571   6.7715   0.0000   0.0000  106.571   6.7715  ?   ?   198.569   6.3108      ?      ? 
1 1 1   12    9   26 o  688.333   12.173  1282.02   45.277   0.0000   0.0000  1282.02   45.277  ?   ?   688.333   12.173      ?      ? 
1 1 1   12    9   27 o  657.931   9.9954  1189.82   34.444  1095.49   54.802  1251.41   44.284  635.851   15.950  680.012   12.052 -44.16077 19.99089 
1 1 1   12    9   28 o  326.358   6.2219  289.958   10.474  281.531   17.544  294.625   13.055  322.602   10.064  330.114   7.3187 -7.512299 12.44385 
1 1 1   12    9   29 o  695.107   10.620  1295.21   37.325  1270.75   45.184  1347.75   66.227  685.200   12.203  705.014   17.384 -19.81403 21.23968 
1 1 1   12    9   30 o  476.740   7.7820  608.333   18.949  595.028   23.148  635.360   32.991  469.038   9.1329  484.441   12.603 -15.40247 15.56400 
1 1 1   12    9   31 o  593.214   10.818  952.314   34.677   0.0000   0.0000  952.314   34.677  ?   ?   593.214   10.818      ?      ? 
1 1 1   12    9   32 o  841.665   10.367  1919.38   47.144  1897.13   66.016  1942.54   67.346  836.698   14.601  846.631   14.721 -9.933228 20.73400 
1 1 1   12    9   33 o  699.366   8.7965  1324.79   33.240  1310.01   46.610  1340.09   47.416  695.401   12.404  703.331   12.476 -7.930176 17.59292 
1 1 1   12    9   34 o  700.964   12.447  1331.26   47.146   0.0000   0.0000  1331.26   47.146  ?   ?   700.964   12.447      ?      ? 
1 1 1   12    9   35 o  218.061   7.2886  128.615   8.5883   0.0000   0.0000  128.615   8.5883  ?   ?   218.061   7.2886      ?      ? 
1 1 1   12    9   36 o  457.970   8.9869  567.847   22.240   0.0000   0.0000  567.847   22.240  ?   ?   457.970   8.9869      ?      ? 
1 1 1   12    9   37 o  438.590   6.2290  520.701   14.758  526.224   21.175  515.484   20.581  440.843   8.8890  436.338   8.7287 4.504822 12.45809 
1 1 1   12    9   38 o  917.101   11.255  2289.43   55.758  2322.04   80.047  2258.69   77.713  923.386   16.043  910.816   15.790 12.57062 22.50959 
1 1 1   12    9   39 o  153.495   6.1385   63.679   5.0826   66.417   7.4606   61.307   6.9431  156.559   8.8187  150.431   8.5414 6.128693 12.27700 
1 1 1   12    9   40 o  304.904   5.2882  251.414   8.7042  259.788   12.658  243.902   11.989  309.705   7.5634  300.103   7.3930 9.601715 10.57645 
1 1 1   12    9   41 o  316.938   5.3493  272.036   9.1578  276.238   13.168  268.100   12.744  319.299   7.6320  314.576   7.4973 4.722900 10.69852 
1 1 1   12    9   42 o  242.491   7.1973  166.672   8.5377  177.423   10.304  143.131   15.248  255.839   7.4537  229.142   12.315 26.69675 14.39465 
1 1 1   12    9   43 o  425.910   9.0494  495.168   20.825  501.802   29.685  488.739   29.223  428.713   12.814  423.107   12.782 5.605957 18.09880 
1 1 1   12    9   44 o  260.355   8.1826  184.735   11.475  205.428   16.507  165.383   15.963  274.546   11.127  246.164   12.001 28.38208 16.36520 
1 1 1   12    9   45 o   49.335   13.728   3.7291   4.8339   6.0608   9.4451   2.9016   5.6266   56.307   21.795   42.362   16.698 13.94532 27.45661 
1 1 1   12    9   46 o  113.477   7.3137   35.371   4.4544   31.535   6.4133   38.945   6.1915  107.414   11.049  119.539   9.5851 -12.12485 14.62731 
1 1 1   12    9   47 o  261.066   5.2357  185.198   7.3853  182.204   10.441  188.196   10.448  258.942   7.4618  263.189   7.3464 -4.246918 10.47134 
1 1 1   12    9   48 o  256.609   5.2212  178.645   7.2308  189.516   10.536  168.966   9.9415  263.970   7.3865  249.248   7.3813 14.72124 10.44237 
1 1 1   12    9   49 o  178.822   5.5957   87.056   5.4043   90.595   7.7806   83.757   7.5122  182.333   7.8970  175.311   7.9299 7.021652 11.19135 
1 1 1   12    9   50 o  166.273   5.7156   75.323   5.1307   77.898   7.4536   73.004   7.0731  168.954   8.1641  163.593   8.0013 5.361374 11.43124 
1 1 1   12    9   51 o   47.397   11.582   4.3704   4.0122   10.380   5.9637  -0.5986   5.4230   59.702   17.412   35.092   15.277 24.61000 23.16398 
1 1 1   12    9   52 o  114.326   7.2409   36.088   4.4641   34.504   6.4230   37.567   6.2087  111.808   10.631  116.843   9.8336 -5.034607 14.48172 
1 1 1   12    9   53 o  152.393   6.2616   63.180   5.1093   76.473   7.6153   52.299   6.8903  166.942   8.4418  137.845   9.2504 29.09747 12.52329 
1 1 1   12    9   54 o  117.001   7.5194   37.835   4.7421   41.785   6.8963   34.292   6.5312  122.844   10.389  111.157   10.873 11.68739 15.03874 
1 1 1   12    9   55 o  156.704   6.3271   67.853   5.3278   59.209   7.4714   76.796   7.5995  146.346   9.4479  167.061   8.4183 -20.71536 12.65425 
1 1 1   12    9   56 o  185.292   5.6905   94.402   5.6924   96.444   8.2625   92.556   7.8535  187.146   8.1704  183.438   7.9229 3.708221 11.38102 
1 1 1   12    9   57 o  208.590   6.6231  121.962   7.1460  115.676   11.786  125.616   8.9861  203.472   10.720  213.709   7.7814 -10.23676 13.24614 
1 1 1   12    9   58 o  166.704   8.2202   78.374   7.3886   80.518   10.868   76.532   10.075  168.628   11.927  164.779   11.315 3.849625 16.44046 
1 1 1   12    9   59 o   58.528   14.716   8.4674   6.0632   16.644   9.6446   3.1239   7.7966   71.304   22.438   45.752   19.047 25.55228 29.43241 
1 1 1   12    9   60 o   76.191   12.612   18.418   5.4123   11.314   7.5819   25.800   7.7287   59.492   19.979   92.890   15.397 -33.39793 25.22370 
1 1 1   12    9   61 o  123.263   12.182   43.544   8.1138   43.544   8.1138   0.0000   0.0000  123.263   12.182  ?   ?       ?      ? 
1 1 1   12    9   62 o   48.649   13.419   5.4892   5.3593   0.9118   7.5068   10.248   7.6538   40.846   17.873   56.451   20.021 -15.60537 26.83793 
1 1 1   12    9   63 o  120.511   9.1108   42.905   5.9162   47.259   8.7321   39.212   8.0436  126.197   12.805  114.824   12.964 11.37280 18.22166 
1 1 1   12    9   64 f  110.011   10.789   39.603   5.8226   26.869   8.5671   50.535   7.9377   88.871   18.444  131.151   11.200 -42.27996 21.57808 
1 1 1   12   10    0 o  355.111   7.3008  340.733   13.995  352.252   20.356  330.405   19.273  360.788   10.441  349.433   10.207 11.35495 14.60154 
1 1 1   12   10    1 o   76.916   9.8384   16.168   3.9594   20.646   5.8891   12.473   5.3487   87.318   12.481   66.515   15.212 20.80306 19.67685 
1 1 1   12   10    2 o  374.342   7.4920  378.871   15.145  388.513   21.907  370.045   20.960  378.894   10.700  369.791   10.490 9.103424 14.98402 
1 1 1   12   10    3 o  277.591   6.3955  208.360   9.5911  211.712   13.746  205.180   13.389  279.763   9.0926  275.418   8.9965 4.345947 12.79110 
1 1 1   12   10    4 o  198.191   6.0010  106.221   6.4264  107.815   9.1386  104.662   9.0390  199.662   8.4702  196.720   8.5032 2.942078 12.00202 
1 1 1   12   10    5 o  299.543   6.5761  242.383   10.637  233.784   14.712  251.802   15.397  293.985   9.2610  305.101   9.3388 -11.11569 13.15213 
1 1 1   12   10    6 o  468.002   8.7309  590.768   22.025  563.288   29.888  623.423   32.581  456.154   12.126  479.851   12.565 -23.69693 17.46189 
1 1 1   12   10    7 o  659.656   11.637  1173.38   41.305  1113.29   55.427  1248.42   61.942  640.831   16.006  678.481   16.895 -37.64954 23.27329 
1 1 1   12   10    8 o  535.175   9.7171  767.706   27.889  714.189   36.806  839.865   42.739  513.545   13.263  556.805   14.205 -43.26019 19.43414 
1 1 1   12   10    9 o  237.895   5.9300  152.972   7.6211  149.775   10.632  156.351   10.930  235.340   8.3605  240.450   8.4120 -5.110031 11.86002 
1 1 1   12   10   10 o  203.851   5.6944  112.367   6.2722  112.590   8.8296  112.140   8.9115  204.056   8.0076  203.646   8.0982 0.4104004 11.38872 
1 1 1   12   10   11 o  305.903   6.8425  252.964   11.311   0.0000   0.0000  252.964   11.311  ?   ?   305.903   6.8425      ?      ? 
1 1 1   12   10   12 o  438.486   8.4838  519.885   20.102   0.0000   0.0000  519.885   20.102  ?   ?   438.486   8.4838      ?      ? 
1 1 1   12   10   14 o  666.472   11.734  1201.80   42.259   0.0000   0.0000  1201.80   42.259  ?   ?   666.472   11.734      ?      ? 
1 1 1   12   10   15 o  898.860   15.467  2188.03   75.124   0.0000   0.0000  2188.03   75.124  ?   ?   898.860   15.467      ?      ? 
1 1 1   12   10   16 o  580.495   10.703  911.394   33.574   0.0000   0.0000  911.394   33.574  ?   ?   580.495   10.703      ?      ? 
1 1 1   12   10   17 o  1128.74   16.609  3479.22   96.296  3389.64  162.827  3527.41  119.417  1116.66   26.985  1140.81   19.372 -24.15198 33.21796 
1 1 1   12   10   18 o  751.943   9.3291  1529.74   37.905  1532.02   53.811  1527.50   53.404  752.495   13.234  751.391   13.153 1.103577 18.65818 
1 1 1   12   10   19 o  642.186   8.1189  1115.38   28.174  1116.21   39.950  1114.57   39.737  642.420   11.508  641.952   11.455 0.4684448 16.23783 
1 1 1   12   10   20 f  1362.99   16.313  5036.73  120.056  4926.80  165.964  5157.39  173.881  1347.48   22.793  1378.51   23.343 -31.02869 32.62544 
1 1 1   12   10   21 o  379.865   5.5959  390.033   11.485  381.805   16.156  398.442   16.331  375.814   7.9554  383.916   7.8721 -8.102966 11.19189 
1 1 1   12   10   22 o  280.018   6.7945  211.937   10.281   0.0000   0.0000  211.937   10.281  ?   ?   280.018   6.7945      ?      ? 
1 1 1   12   10   23 o  1042.13   12.607  2937.76   70.905  2851.78   97.377  3034.78  103.448  1025.97   17.564  1058.29   18.090 -32.31921 25.21389 
1 1 1   12   10   24 o  599.716   10.830  972.792   35.098   0.0000   0.0000  972.792   35.098  ?   ?   599.716   10.830      ?      ? 
1 1 1   12   10   25 o  642.040   11.473  1115.23   39.806   0.0000   0.0000  1115.23   39.806  ?   ?   642.040   11.473      ?      ? 
1 1 1   12   10   26 o  743.211   9.2558  1494.17   37.153  1460.16   51.557  1530.92   53.587  734.429   12.991  751.993   13.187 -17.56329 18.51158 
1 1 1   12   10   27 o  401.903   8.1564  436.770   17.714   0.0000   0.0000  436.770   17.714  ?   ?   401.903   8.1564      ?      ? 
1 1 1   12   10   28 o  574.698   9.0403  901.435   26.829  868.694   44.731  919.831   33.529  566.310   14.617  583.087   10.642 -16.77698 18.08055 
1 1 1   12   10   29 o  560.298   10.332  849.362   31.280   0.0000   0.0000  849.362   31.280  ?   ?   560.298   10.332      ?      ? 
1 1 1   12   10   30 o  1726.07   41.785  8243.24  389.730   0.0000   0.0000  8243.24  389.730  ?   ?   1726.07   41.785      ?      ? 
1 1 1   12   10   31 o  988.176   12.039  2648.64   64.277  2621.63   90.085  2676.66   91.741  983.060   16.958  993.292   17.092 -10.23254 24.07761 
1 1 1   12   10   32 o  454.975   6.4002  559.917   15.733  547.611   22.059  572.658   22.445  449.886   9.0739  460.063   9.0285 -10.17703 12.80035 
1 1 1   12   10   33 o  375.780   8.0895  381.977   16.426   0.0000   0.0000  381.977   16.426  ?   ?   375.780   8.0895      ?      ? 
1 1 1   12   10   34 o  752.284   9.4080  1532.78   38.205  1571.15   55.544  1498.32   52.634  761.169   13.504  743.399   13.103 17.77032 18.81592 
1 1 1   12   10   35 o  448.010   6.3423  543.201   15.347  549.492   22.093  537.334   21.335  450.505   9.0754  445.514   8.8621 4.990295 12.68462 
1 1 1   12   10   36 o  264.080   7.3006  188.695   10.418   0.0000   0.0000  188.695   10.418  ?   ?   264.080   7.3006      ?      ? 
1 1 1   12   10   37 o  293.132   7.3601  232.537   11.658   0.0000   0.0000  232.537   11.658  ?   ?   293.132   7.3601      ?      ? 
1 1 1   12   10   38 o   73.132   11.134   15.964   4.3734   8.6951   6.6680   21.451   5.7935   57.394   18.717   88.869   12.064 -31.47510 22.26820 
1 1 1   12   10   39 o  380.430   5.7825  392.056   11.882  394.382   17.077  389.874   16.543  381.509   8.2838  379.350   8.0701 2.159027 11.56494 
1 1 1   12   10   40 o   86.147   9.6471   19.983   4.4526   22.075   6.8616   18.461   5.8521   89.969   14.114   82.324   13.155 7.644356 19.29413 
1 1 1   12   10   41 o  363.876   5.6782  357.707   11.139  378.094   16.455  340.462   15.134  373.391   8.1552  354.362   7.9033 19.02896 11.35649 
1 1 1   12   10   42 f  122.138   13.902   44.555   8.3710   63.018   11.652   24.865   12.034  151.743   14.211   92.533   23.899 59.21026 27.80474 
1 1 1   12   10   43 o  113.209   13.537   36.237   8.0278   38.514   10.939   33.581   11.818  118.231   17.122  108.186   20.972 10.04452 27.07411 
1 1 1   12   10   44 o   66.324   16.089   10.879   7.4329   16.984   10.002   3.3491   11.108   76.928   22.582   55.719   22.923 21.20949 32.17761 
1 1 1   12   10   45 o  298.306   5.3911  241.626   8.6861  244.837   12.507  238.635   12.073  300.201   7.7100  296.411   7.5373 3.790314 10.78215 
1 1 1   12   10   46 o  255.365   5.2398  176.726   7.2188  184.652   10.582  169.828   9.8724  260.687   7.5123  250.043   7.3067 10.64432 10.47962 
1 1 1   12   10   47 o   78.554   10.634   18.161   4.3280   12.168   6.3542   23.347   5.9112   64.886   17.653   92.221   11.862 -27.33524 21.26837 
1 1 1   12   10   48 o  259.638   5.2929  183.437   7.4191  184.997   10.745  182.016   10.256  260.655   7.6287  258.621   7.3391 2.033417 10.58586 
1 1 1   12   10   49 o   57.182   10.998   8.8887   4.2449  -0.4586   6.3074   16.627   5.7391   38.229   16.559   76.135   14.479 -37.90618 21.99638 
1 1 1   12   10   50 o  254.379   5.3372  175.721   7.3189  187.779   10.816  165.535   9.9407  262.369   7.6287  246.389   7.4664 15.98024 10.67444 
1 1 1   12   10   51 f   45.822   12.341   4.3593   4.2396   5.7776   6.2824   3.1733   5.7450   49.041   18.038   42.602   16.847 6.439457 24.68204 
1 1 1   12   10   52 o   60.625   11.826   10.900   4.3628   4.7029   6.4508   16.125   5.9228   46.994   18.061   74.256   15.271 -27.26162 23.65125 
1 1 1   12   10   53 o   33.764   10.756  -3.5769   4.3477  -8.5172   6.4389   0.5629   5.8943   29.376   14.088   38.153   16.258 -8.777658 21.51236 
1 1 1   12   10   54 o  102.956   8.3083   29.569   4.6143   30.470   6.7626   28.784   6.3118  104.350   11.993  101.562   11.501 2.787338 16.61660 
1 1 1   12   10   55 o  232.057   5.4527  147.623   6.8250  151.824   10.011  143.975   9.3292  235.053   7.8815  229.061   7.5371 5.991974 10.90536 
1 1 1   12   10   56 f   40.746   12.607  -0.2979   5.2917  -3.9865   8.6670   1.8944   6.6817   39.583   18.100   41.909   17.555 -2.325764 25.21491 
1 1 1   12   10   57 o  216.621   7.2588  129.823   8.4408  140.315   12.855  121.869   11.192  224.010   10.620  209.231   9.8987 14.77928 14.51758 
1 1 1   12   10   58 o  162.141   7.5832   72.561   6.5743   60.285   8.7034   88.874   10.032  146.289   11.010  177.994   10.431 -31.70566 15.16648 
1 1 1   12   10   59 o  143.703   7.3462   57.915   5.6735   67.002   8.3728   50.200   7.7147  154.258   10.045  133.148   10.723 21.11064 14.69243 
1 1 1   12   10   60 o   95.402   11.270   27.760   5.5255   35.792   7.9393   20.214   7.6949  111.036   13.232   79.768   18.248 31.26855 22.54042 
1 1 1   12   10   61 o   81.337   12.961   21.086   5.6018   25.607   7.9877   16.711   7.8582   91.031   16.859   71.642   19.690 19.38890 25.92157 
1 1 1   12   10   62 o  103.976   10.072   33.183   5.6416   33.719   8.3235   32.729   7.6729  104.277   14.772  103.675   13.696 0.6018600 20.14418 
1 1 1   12   10   63 o   56.737   13.558   9.4800   5.3361   17.097   8.0427   3.4907   7.1318   70.142   20.153   43.333   18.143 26.80926 27.11665 
1 1 1   12   11    0 o  364.786   5.4742  359.829   10.790  357.576   15.303  362.056   15.216  363.648   7.7879  365.923   7.6953 -2.274902 10.94848 
1 1 1   12   11    1 o  102.433   6.6947   28.447   3.6964   27.184   5.3421   29.607   5.1199  100.242   9.8622  104.624   9.0562 -4.381592 13.38945 
1 1 1   12   11    4 f  839.517   10.334  1909.26   46.878  1892.81   65.783  1926.24   66.820  835.851   14.564  843.184   14.665 -7.333069 20.66882 
1 1 1   12   11    5 o  1420.09   17.062  5484.66  130.841  5372.26  181.174  5607.19  189.158  1405.01   23.863  1435.17   24.391 -30.16101 34.12307 
1 1 1   12   11    6 o  872.289   10.719  2059.64   50.486  2013.20   69.775  2110.66   73.139  862.008   14.980  882.569   15.336 -20.56055 21.43785 
1 1 1   12   11    7 o  782.353   9.7092  1657.37   41.045  1648.66   57.816  1666.21   58.281  780.284   13.712  784.421   13.750 -4.137207 19.41834 
1 1 1   12   11   10 o  660.182   9.6414  1178.71   34.395   0.0000   0.0000  1178.71   34.395  ?   ?   660.182   9.6414      ?      ? 
1 1 1   12   11   11 o  324.278   5.2403  284.195   9.1825   0.0000   0.0000  284.195   9.1825  ?   ?   324.278   5.2403      ?      ? 
1 1 1   12   11   12 o  319.031   7.8801  275.165   13.585   0.0000   0.0000  275.165   13.585  ?   ?   319.031   7.8801      ?      ? 
1 1 1   12   11   13 o  588.470   10.631  936.645   33.806   0.0000   0.0000  936.645   33.806  ?   ?   588.470   10.631      ?      ? 
1 1 1   12   11   14 o  385.461   7.8281  401.658   16.305   0.0000   0.0000  401.658   16.305  ?   ?   385.461   7.8281      ?      ? 
1 1 1   12   11   15 o  406.071   5.8794  445.644   12.901   0.0000   0.0000  445.644   12.901  ?   ?   406.071   5.8794      ?      ? 
1 1 1   12   11   16 o  159.376   5.2136   68.643   4.4901   0.0000   0.0000   68.643   4.4901  ?   ?   159.376   5.2136      ?      ? 
1 1 1   12   11   17 o  183.656   5.8275   86.531   4.6599   99.144   10.658   83.550   5.1814  191.481   10.300  175.831   5.4534 15.65051 11.65503 
1 1 1   12   11   19 o  815.539   10.058  1799.92   44.320  1783.96   62.210  1816.37   63.156  811.873   14.180  819.206   14.267 -7.332825 20.11533 
1 1 1   12   11   20 o  502.002   6.7369  681.169   18.271  668.922   25.530  694.029   26.160  497.379   9.4989  506.625   9.5558 -9.245575 13.47377 
1 1 1   12   11   23 o  216.061   5.1826  126.570   6.0274  121.083   8.8049  131.410   8.2683  211.635   7.6993  220.488   6.9397 -8.852234 10.36528 
1 1 1   12   11   24 o  483.046   9.2442  631.000   24.129   0.0000   0.0000  631.000   24.129  ?   ?   483.046   9.2442      ?      ? 
1 1 1   12   11   25 o  462.753   6.4228  578.562   16.052  558.971   22.292  599.660   23.134  454.625   9.0743  470.880   9.0920 -16.25500 12.84552 
1 1 1   12   11   26 o  459.992   6.4412  572.263   16.010  564.811   22.607  579.760   22.676  456.985   9.1550  462.998   9.0634 -6.012604 12.88250 
1 1 1   12   11   27 o  116.105   7.5935   34.212   4.6125   47.181   7.7646   27.140   5.7339  132.053   10.881  100.158   10.594 31.89409 15.18697 
1 1 1   12   11   28 o  363.243   5.7535  356.623   11.285  338.254   15.780  375.852   16.146  353.669   8.2572  372.817   8.0144 -19.14764 11.50700 
1 1 1   12   11   29 o  598.359   9.3579  988.013   29.512  872.748   45.514  1071.64   38.766  567.491   14.842  629.226   11.401 -61.73578 18.71572 
1 1 1   12   11   30 o  954.574   16.505  2471.52   85.136   0.0000   0.0000  2471.52   85.136  ?   ?   954.574   16.505      ?      ? 
1 1 1   12   11   31 o  620.287   9.6634  1040.46   30.833  1034.96   38.108  1050.90   52.466  618.221   11.407  622.355   15.601 -4.134155 19.32670 
1 1 1   12   11   32 o  660.507   8.4366  1181.45   30.107  1163.71   42.145  1199.94   43.026  655.450   11.899  665.564   11.963 -10.11389 16.87330 
1 1 1   12   11   33 o  285.456   5.3775  219.581   8.2524  228.340   12.409  212.635   11.050  290.527   7.9042  280.384   7.2933 10.14255 10.75497 
1 1 1   12   11   34 o  213.383   5.5000  122.130   6.2843  130.927   9.6822  115.726   8.2608  219.948   8.1464  206.817   7.3917 13.13155 11.00008 
1 1 1   12   11   35 o  151.727   6.5212   62.115   5.2912   63.888   8.1378   60.816   6.9643  153.573   9.8063  149.880   8.5990 3.692230 13.04245 
1 1 1   12   11   36 o  248.512   5.3544  167.121   7.1642  167.450   10.598  166.844   9.7223  248.719   7.8852  248.304   7.2460 0.4149933 10.70889 
1 1 1   12   11   37 o  248.123   5.3610  166.467   7.1596  169.023   10.643  164.354   9.6767  249.840   7.8831  246.406   7.2675 3.434097 10.72198 
1 1 1   12   11   38 o  226.215   5.3846  137.723   6.5408  146.063   9.9262  131.322   8.6957  232.208   7.9107  220.221   7.3073 11.98642 10.76924 
1 1 1   12   11   39 o  253.807   7.2733  174.474   9.9752   0.0000   0.0000  174.474   9.9752  ?   ?   253.807   7.2733      ?      ? 
1 1 1   12   11   40 o  269.126   7.3040  196.260   10.622   0.0000   0.0000  196.260   10.622  ?   ?   269.126   7.3040      ?      ? 
1 1 1   12   11   41 o  214.971   7.7291  128.271   8.0794  131.664   9.6059  120.068   14.937  220.295   8.0695  209.647   13.185 10.64755 15.45825 
1 1 1   12   11   42 o  484.302   9.8266  641.804   25.713  643.694   36.133  639.865   36.600  485.073   13.785  483.531   14.008 1.542206 19.65320 
1 1 1   12   11   43 o   61.343   16.175   4.7124   7.8031  -3.8243   10.248   16.491   12.037   45.530   20.351   77.155   25.147 -31.62440 32.35058 
1 1 1   12   11   44 o  344.777   7.1481  322.848   12.230  327.477   22.301  320.857   14.625  345.913   11.931  343.641   7.8759 2.272095 14.29612 
1 1 1   12   11   45 o  171.820   5.9303   80.444   5.4856   78.720   8.0646   81.928   7.4836  170.048   8.7765  173.592   7.9780 -3.543579 11.86064 
1 1 1   12   11   46 o   77.199   11.082   16.648   4.4252   20.580   6.9055   13.909   5.7643   84.902   15.628   69.496   15.718 15.40660 22.16470 
1 1 1   12   11   47 o  390.989   5.9650  416.380   12.592  428.113   18.271  405.766   17.378  396.187   8.5344  385.791   8.3361 10.39563 11.93007 
1 1 1   12   11   48 o  115.971   7.5543   36.970   4.7084   36.480   7.0059   37.373   6.3585  115.168   11.258  116.775   10.077 -1.606743 15.10868 
1 1 1   12   11   49 o  223.859   5.4486  136.930   6.5776  130.447   9.4506  143.021   9.1603  218.630   7.9995  229.089   7.3998 -10.45943 10.89719 
1 1 1   12   11   50 o  283.941   5.4632  219.498   8.3669  232.029   12.297  208.697   11.417  291.429   7.8090  276.453   7.6424 14.97626 10.92643 
1 1 1   12   11   51 o  175.097   6.0298   83.799   5.6899   87.024   8.4170   81.084   7.7215  178.128   8.7446  172.067   8.3045 6.060883 12.05956 
1 1 1   12   11   52 o  131.630   7.0936   47.359   5.0148   55.206   7.5059   41.032   6.7399  141.436   9.8209  121.824   10.238 19.61224 14.18715 
1 1 1   12   11   53 o   99.078   8.9494   27.316   4.7616   29.432   7.2347   25.698   6.3245  102.312   13.086   95.845   12.212 6.467712 17.89875 
1 1 1   12   11   54 o   94.404   12.123   26.792   5.8134   24.369   9.3656   28.311   7.4147   88.917   19.979   99.892   13.736 -10.97537 24.24591 
1 1 1   12   11   55 o  150.961   8.5386   64.515   6.8464   62.365   10.591   66.059   8.9733  148.169   13.228  153.752   10.800 -5.582489 17.07712 
1 1 1   12   11   56 o   69.920   14.589   15.410   5.8216   14.135   9.5724   16.158   7.3338   67.499   22.446   72.341   18.644 -4.841537 29.17894 
1 1 1   12   11   57 o   87.227   11.254   22.701   5.1596   21.964   7.6409   23.319   6.9953   84.715   17.277   89.739   14.426 -5.023735 22.50775 
1 1 1   12   11   58 o   56.297   13.098   9.1668   5.0612   3.0940   7.4314   14.420   6.9120   44.906   18.637   67.687   18.410 -22.78148 26.19690 
1 1 1   12   11   59 o   43.772   12.687   2.9119   5.0550  -2.0495   7.7517   6.5829   6.6679   38.380   17.380   49.164   18.486 -10.78392 25.37308 
1 1 1   12   11   60 o  159.454   7.4891   72.593   6.3055   55.206   8.8615   90.425   8.9743  139.060   11.793  179.848   9.2344 -40.78734 14.97811 
1 1 1   12   11   61 o   58.361   14.127   10.661   5.4294   15.829   8.4326   7.0011   7.0959   67.277   20.950   49.445   18.957 17.83210 28.25360 
1 1 1   12   11   62 o   62.152   14.097   13.309   5.3428   12.702   8.3529   13.729   6.9506   60.610   20.957   63.693   18.860 -3.082691 28.19422 
1 1 1   12   11   63 o   54.490   13.952   10.081   5.2697   11.913   7.9037   8.6141   7.0706   57.737   20.359   51.243   19.081 6.493462 27.90321 
1 1 1   12   12    0 o  423.612   6.0509  485.264   13.850  481.356   19.618  489.148   19.557  421.909   8.6048  425.315   8.5094 -3.405426 12.10172 
1 1 1   12   12    1 o  673.703   8.5345  1227.05   31.048  1196.12   42.934  1260.95   44.951  664.823   11.951  682.582   12.187 -17.75873 17.06906 
1 1 1   12   12    2 o  697.562   8.8058  1316.00   33.176  1287.45   46.045  1346.83   47.843  689.709   12.355  705.416   12.551 -15.70654 17.61157 
1 1 1   12   12    3 f  137.855   5.8375   51.378   4.3480   50.275   6.1141   52.506   6.1845  136.358   8.2978  139.353   8.2130 -2.994385 11.67505 
1 1 1   12   12    4 o  901.818   11.059  2202.74   53.885  2179.93   75.467  2226.46   76.966  897.067   15.568  906.568   15.711 -9.501526 22.11831 
1 1 1   12   12    5 o  595.350   7.7180  958.711   24.827  948.821   34.826  968.931   35.402  592.231   10.882  598.469   10.947 -6.238525 15.43590 
1 1 1   12   12    6 o  238.082   5.0528  153.168   6.4989  148.689   9.0965  157.839   9.2882  234.527   7.1779  241.637   7.1135 -7.109665 10.10559 
1 1 1   12   12    9 o  474.245   7.2583  616.956   16.702  588.513   31.181  628.400   19.779  466.359   12.373  482.131   7.5918 -15.77228 14.51666 
1 1 1   12   12   10 o  155.277   9.4674   65.199   7.9437   0.0000   0.0000   65.199   7.9437  ?   ?   155.277   9.4674      ?      ? 
1 1 1   12   12   12 o  295.093   5.2916  235.332   8.4379   0.0000   0.0000  235.332   8.4379  ?   ?   295.093   5.2916      ?      ? 
1 1 1   12   12   13 o  548.103   8.2563  812.122   24.453   0.0000   0.0000  812.122   24.453  ?   ?   548.103   8.2563      ?      ? 
1 1 1   12   12   14 o  310.172   5.3618  259.993   8.9867   0.0000   0.0000  259.993   8.9867  ?   ?   310.172   5.3618      ?      ? 
1 1 1   12   12   15 f  691.133   8.7269  1291.34   32.592   0.0000   0.0000  1291.34   32.592  ?   ?   691.133   8.7269      ?      ? 
1 1 1   12   12   16 o  504.860   6.8354  688.917   18.648   0.0000   0.0000  688.917   18.648  ?   ?   504.860   6.8354      ?      ? 
1 1 1   12   12   17 o  862.363   12.344  1982.64   48.551  2074.32  101.905  1955.71   55.222  874.463   21.566  850.263   12.019 24.19958 24.68894 
1 1 1   12   12   18 o  931.881   13.053  2383.68   57.994  2288.29  111.497  2419.06   67.902  918.268   22.470  945.495   13.290 -27.22620 26.10629 
1 1 1   12   12   19 o  666.492   8.4456  1201.24   30.410  1181.62   42.443  1221.93   43.591  660.906   11.884  672.077   12.003 -11.17126 16.89117 
1 1 1   12   12   20 o  761.614   13.453  1569.74   55.364   0.0000   0.0000  1569.74   55.364  ?   ?   761.614   13.453      ?      ? 
1 1 1   12   12   21 f  680.732   8.6170  1251.69   31.661  1212.12   43.534  1296.11   46.131  669.344   12.036  692.121   12.335 -22.77667 17.23402 
1 1 1   12   12   22 o  217.368   7.2751  127.728   8.5452   0.0000   0.0000  127.728   8.5452  ?   ?   217.368   7.2751      ?      ? 
1 1 1   12   12   23 o  567.189   7.4551  868.398   22.819  834.760   31.300  906.557   33.337  555.499   10.427  578.879   10.658 -23.38019 14.91024 
1 1 1   12   12   24 o  284.585   7.3083  218.960   11.239   0.0000   0.0000  218.960   11.239  ?   ?   284.585   7.3083      ?      ? 
1 1 1   12   12   25 o  264.578   5.5171  189.633   7.8559  184.871   11.561  193.717   10.708  261.476   8.1826  267.679   7.4027 -6.202454 11.03424 
1 1 1   12   12   26 o  273.513   7.3873  202.258   10.918   0.0000   0.0000  202.258   10.918  ?   ?   273.513   7.3873      ?      ? 
1 1 1   12   12   27 o  564.156   10.481  861.200   31.951   0.0000   0.0000  861.200   31.951  ?   ?   564.156   10.481      ?      ? 
1 1 1   12   12   28 o  512.890   7.0093  708.652   19.381  667.138   26.338  757.680   28.622  496.584   9.8151  529.196   10.009 -32.61194 14.01854 
1 1 1   12   12   29 o  792.510   11.985  1724.97   49.332  1626.13   80.660  1784.04   62.354  773.651   19.294  811.369   14.222 -37.71826 23.96933 
1 1 1   12   12   30 o  629.655   9.7838  1095.05   32.578  952.252   49.426  1204.74   43.320  592.414   15.440  666.896   12.021 -74.48224 19.56768 
1 1 1   12   12   31 o  631.352   9.8964  1062.13   31.482  1030.64   37.902  1132.21   56.537  616.900   11.370  645.805   16.201 -28.90424 19.79276 
1 1 1   12   12   32 o  352.732   6.6362  337.182   12.371  338.679   15.932  334.910   19.630  353.789   8.3339  351.676   10.330 2.113373 13.27236 
1 1 1   12   12   33 o  730.884   12.955  1449.52   51.164   0.0000   0.0000  1449.52   51.164  ?   ?   730.884   12.955      ?      ? 
1 1 1   12   12   34 o  322.707   5.6384  282.119   9.8215  274.889   14.109  288.915   13.680  318.676   8.1936  326.737   7.7481 -8.060791 11.27684 
1 1 1   12   12   35 o  420.347   8.6141  478.463   19.566   0.0000   0.0000  478.463   19.566  ?   ?   420.347   8.6141      ?      ? 
1 1 1   12   12   36 o  438.773   8.8320  521.625   20.940   0.0000   0.0000  521.625   20.940  ?   ?   438.773   8.8320      ?      ? 
1 1 1   12   12   37 o  122.439   7.8216   42.277   4.9516   34.102   7.7609   47.889   6.4305  111.965   12.828  132.913   8.9535 -20.94778 15.64325 
1 1 1   12   12   38 o  518.455   7.0164  729.584   19.655  727.754   27.947  731.374   27.649  517.796   9.9883  519.113   9.8568 -1.317505 14.03289 
1 1 1   12   12   39 o  471.333   9.2410  603.002   23.536   0.0000   0.0000  603.002   23.536  ?   ?   471.333   9.2410      ?      ? 
1 1 1   12   12   40 o  219.774   9.0373  131.918   10.718  133.153   14.817  130.563   15.522  220.917   12.412  218.630   13.139 2.286987 18.07451 
1 1 1   12   12   41 f  326.296   8.6008  289.818   15.140  280.180   20.701  300.901   22.198  320.530   11.952  332.062   12.371 -11.53128 17.20164 
1 1 1   12   12   42 o  496.273   10.053  675.589   26.954  671.622   37.719  679.730   38.533  494.843   14.106  497.703   14.327 -2.860504 20.10609 
1 1 1   12   12   43 o   52.670   14.403   4.9374   5.1233   6.9437   10.534   4.3158   5.8636   59.528   23.024   45.813   17.311 13.71559 28.80594 
1 1 1   12   12   44 o  134.650   6.9337   49.313   5.0157   50.635   7.5516   48.270   6.7094  136.200   10.261  133.099   9.3286 3.101181 13.86734 
1 1 1   12   12   45 o   44.478   12.367   3.3911   4.2978   3.0798   6.7844   3.5998   5.5545   45.485   18.204   43.471   16.745 2.013603 24.73437 
1 1 1   12   12   46 o  121.004   7.4998   39.886   4.8825   42.631   7.3318   37.698   6.5447  124.678   10.883  117.330   10.323 7.347351 14.99965 
1 1 1   12   12   47 o   68.514   12.327   13.464   4.5320   15.548   7.0387   11.988   5.9230   72.844   17.989   64.185   16.860 8.658447 24.65449 
1 1 1   12   12   48 o  287.971   5.4719  225.936   8.5087  230.509   12.314  221.758   11.771  290.724   7.8382  285.219   7.6375 5.505096 10.94388 
1 1 1   12   12   49 o  157.718   6.3759   67.990   5.3997   69.888   8.1511   66.506   7.2081  159.562   9.4537  155.875   8.5577 3.686996 12.75175 
1 1 1   12   12   50 o  210.119   5.6723  120.701   6.4213  121.552   9.4653  119.975   8.7402  210.710   8.3130  209.528   7.7195 1.182068 11.34451 
1 1 1   12   12   51 o  127.071   7.4810   43.831   5.0852   51.466   7.8913   38.409   6.6500  136.312   10.713  117.830   10.444 18.48267 14.96193 
1 1 1   12   12   52 o  156.308   8.5444   69.370   7.0002   62.815   11.019   73.806   9.0646  149.308   13.657  163.309   10.272 -14.00156 17.08886 
1 1 1   12   12   53 o   66.959   14.337   11.846   5.8032   21.514   9.5440   6.1757   7.3098   83.007   21.202   50.911   19.306 32.09674 28.67500 
1 1 1   12   12   54 o   91.832   13.040   24.823   6.0913   29.572   10.043   22.059   7.6614   98.060   19.638   85.605   17.160 12.45522 26.07917 
1 1 1   12   12   55 o   59.408   13.119   10.327   4.6914   13.306   7.1129   8.0339   6.2415   65.729   18.971   53.088   18.126 12.64115 26.23840 
1 1 1   12   12   56 f   63.486   13.262   12.577   4.8807   11.088   7.4616   13.690   6.4525   60.341   19.805   66.630   17.643 -6.289234 26.52393 
1 1 1   12   12   57 o   51.205   13.027   6.8254   4.9827   1.1920   7.6488   10.978   6.5674   42.737   18.373   59.674   18.473 -16.93761 26.05403 
1 1 1   12   12   58 o  183.593   6.6434   94.776   6.5557   93.038   9.7266   96.223   8.8743  181.660   9.9086  185.525   8.8520 -3.865051 13.28677 
1 1 1   12   12   59 o   87.575   12.558   23.796   5.7118   26.264   8.6196   21.863   7.6267   91.478   18.078   83.671   17.434 7.806885 25.11517 
1 1 1   12   12   60 o  125.963   9.1495   46.238   6.1818   45.131   9.2349   47.137   8.3210  123.993   13.783  127.933   12.037 -3.940247 18.29904 
1 1 1   12   12   61 o   88.843   12.099   25.091   5.6420   33.650   8.6779   18.824   7.4257  103.593   15.502   74.093   18.580 29.50028 24.19820 
1 1 1   12   12   62 o   65.251   14.227   14.769   5.4737   16.772   8.3773   13.277   7.2305   68.506   20.802   61.996   19.415 6.509914 28.45454 
1 1 1   12   13    0 o  666.106   11.975  1200.55   43.103   0.0000   0.0000  1200.55   43.103  ?   ?   666.106   11.975      ?      ? 
1 1 1   12   13    4 o  716.871   9.0295  1390.62   34.977  1380.47   49.231  1400.97   49.701  714.230   12.756  719.513   12.783 -5.282776 18.05894 
1 1 1   12   13    5 o  523.908   7.0572  742.211   19.977  748.369   28.503  736.266   28.007  526.041   10.027  521.775   9.9333 4.266541 14.11436 
1 1 1   12   13    6 o  360.436   5.6634  351.218   11.030  350.817   15.641  351.615   15.558  360.231   8.0352  360.642   7.9833 -0.4110107 11.32685 
1 1 1   12   13    7 o  476.514   6.6234  613.192   17.042  594.367   23.546  633.902   24.697  468.846   9.2938  484.182   9.4394 -15.33572 13.24674 
1 1 1   12   13    8 o  1035.58   12.597  2905.13   70.487  2882.03   98.903  2928.97  100.484  1031.41   17.746  1039.75   17.885 -8.342407 25.19466 
1 1 1   12   13    9 o  347.965   6.3911  326.007   11.441  331.757   19.503  322.990   14.127  350.259   10.304  345.670   7.5632 4.588806 12.78217 
1 1 1   12   13   10 o  474.655   9.5644  609.160   24.532   0.0000   0.0000  609.160   24.532  ?   ?   474.655   9.5644      ?      ? 
1 1 1   12   13   11 o  559.332   7.4636  845.640   22.558   0.0000   0.0000  845.640   22.558  ?   ?   559.332   7.4636      ?      ? 
1 1 1   12   13   12 o  829.506   10.259  1860.60   45.985   0.0000   0.0000  1860.60   45.985  ?   ?   829.506   10.259      ?      ? 
1 1 1   12   13   13 o  774.740   13.578  1624.12   56.843   0.0000   0.0000  1624.12   56.843  ?   ?   774.740   13.578      ?      ? 
1 1 1   12   13   14 o  119.649   7.7391   38.699   5.0037   0.0000   0.0000   38.699   5.0037  ?   ?   119.649   7.7391      ?      ? 
1 1 1   12   13   15 o  1071.46   15.055  3107.89   87.163   0.0000   0.0000  3107.89   87.163  ?   ?   1071.46   15.055      ?      ? 
1 1 1   12   13   16 o  187.605   7.3444   95.138   7.4454   0.0000   0.0000   95.138   7.4454  ?   ?   187.605   7.3444      ?      ? 
1 1 1   12   13   17 f  638.846   8.2297  1103.34   28.410   0.0000   0.0000  1103.34   28.410  ?   ?   638.846   8.2297      ?      ? 
1 1 1   12   13   18 o  178.416   6.8568   86.631   5.3578   85.135   11.719   87.026   6.0243  177.392   12.225  179.440   6.2129 -2.047791 13.71356 
1 1 1   12   13   20 o  1383.39   16.620  5196.69  124.181  5106.23  172.488  5294.02  178.924  1370.97   23.283  1395.81   23.722 -24.83691 33.23938 
1 1 1   12   13   21 o  648.243   11.723  1137.11   41.063   0.0000   0.0000  1137.11   41.063  ?   ?   648.243   11.723      ?      ? 
1 1 1   12   13   23 o  184.222   9.4307   91.792   9.3881   91.792   9.3881   0.0000   0.0000  184.222   9.4307  ?   ?       ?      ? 
1 1 1   12   13   24 o  555.030   7.4101  832.836   22.216  809.375   30.939  857.813   31.922  546.966   10.468  563.094   10.491 -16.12750 14.82015 
1 1 1   12   13   25 o  438.408   6.3952  519.903   15.143  518.224   21.741  521.485   21.103  437.712   9.1918  439.103   8.8940 -1.390381 12.79035 
1 1 1   12   13   26 o  554.873   10.398  833.089   31.178   0.0000   0.0000  833.089   31.178  ?   ?   554.873   10.398      ?      ? 
1 1 1   12   13   27 o  765.652   9.6096  1587.83   39.757  1569.46   55.952  1606.55   56.501  761.179   13.603  770.125   13.577 -8.945251 19.21928 
1 1 1   12   13   28 o  855.189   10.597  1982.37   48.957  1946.09   68.269  2020.78   70.245  847.153   14.913  863.224   15.059 -16.07123 21.19405 
1 1 1   12   13   29 o  478.178   9.3439  618.764   24.144   0.0000   0.0000  618.764   24.144  ?   ?   478.178   9.3439      ?      ? 
1 1 1   12   13   30 o   86.523   14.142   18.212   5.6371   27.613   12.109   15.612   6.3694   98.651   23.120   74.395   16.295 24.25610 28.28497 
1 1 1   12   13   31 o  487.034   8.2538  656.155   20.910  589.865   33.585  698.120   26.722  466.301   13.329  507.768   9.7389 -41.46732 16.50754 
1 1 1   12   13   32 o   94.532   11.160   24.286   5.5424   28.546   8.4399   21.056   7.3492  102.476   15.241   86.587   16.305 15.88871 22.31965 
1 1 1   12   13   33 o  219.350   7.7255  130.214   9.1570   0.0000   0.0000  130.214   9.1570  ?   ?   219.350   7.7255      ?      ? 
1 1 1   12   13   34 o  304.350   5.5749  250.523   9.1293  253.190   13.586  248.328   12.327  305.800   8.2219  302.901   7.5313 2.899353 11.14990 
1 1 1   12   13   35 o  138.517   7.2332   52.249   5.2623   51.139   8.4596   52.950   6.7209  137.247   11.407  139.788   8.8975 -2.541122 14.46647 
1 1 1   12   13   36 o  523.255   9.9643  742.848   28.174   0.0000   0.0000  742.848   28.174  ?   ?   523.255   9.9643      ?      ? 
1 1 1   12   13   37 o  355.516   5.7936  342.466   11.113  344.340   16.194  340.797   15.277  356.405   8.4087  354.626   7.9723 1.778717 11.58722 
1 1 1   12   13   38 o  185.291   9.2217  100.432   8.1764  110.520   9.8490   78.063   14.666  201.799   9.0321  168.783   16.080 33.01663 18.44336 
1 1 1   12   13   39 o  343.405   8.5627  321.664   15.886  327.027   22.378  316.216   22.556  346.331   11.957  340.480   12.260 5.851318 17.12543 
1 1 1   12   13   40 o  271.083   8.5081  200.187   12.433  220.158   17.913  181.622   17.271  284.190   11.664  257.976   12.389 26.21378 17.01624 
1 1 1   12   13   41 o  130.768   12.190   46.762   8.5479   39.482   11.515   55.698   12.757  119.444   17.841  142.092   16.615 -22.64776 24.37932 
1 1 1   12   13   42 o   60.491   12.565   8.5154   4.5470   17.029   7.6074   3.7834   5.6717   76.732   18.552   44.249   16.952 32.48299 25.13021 
1 1 1   12   13   43 o  320.129   7.7368  278.501   13.384   0.0000   0.0000  278.501   13.384  ?   ?   320.129   7.7368      ?      ? 
1 1 1   12   13   44 o  251.939   7.3816  172.487   10.049   0.0000   0.0000  172.487   10.049  ?   ?   251.939   7.3816      ?      ? 
1 1 1   12   13   45 o  257.956   5.5505  181.365   7.7169  178.324   11.273  184.046   10.587  255.841   8.1538  260.071   7.5331 -4.230164 11.10103 
1 1 1   12   13   46 o  375.306   5.9385  384.354   12.041  380.566   17.161  388.028   16.898  373.438   8.5042  377.174   8.2910 -3.735779 11.87691 
1 1 1   12   13   47 o   50.908   12.798   6.3727   4.6132   2.4842   7.1886   9.0954   6.0152   45.131   18.489   56.685   17.701 -11.55430 25.59631 
1 1 1   12   13   48 o   72.470   12.093   15.016   4.6090   18.508   7.2766   12.676   5.9561   79.271   17.459   65.669   16.736 13.60163 24.18506 
1 1 1   12   13   49 o  228.882   6.8117  143.632   7.8318  145.113   13.943  142.949   9.4662  229.013   11.267  228.750   7.6582 0.2630310 13.62347 
1 1 1   12   13   50 o  134.251   9.1219   49.295   6.4387   55.405   10.620   45.743   8.0967  140.260   14.011  128.241   11.684 12.01884 18.24383 
1 1 1   12   13   51 o   43.520   13.236   0.5872   5.5984  -3.1194   9.3128   2.6847   7.0056   42.590   19.190   44.449   18.236 -1.858154 26.47214 
1 1 1   12   13   52 o  147.055   7.6438   60.102   6.0667   59.067   8.3491   61.261   8.8305  145.796   10.597  148.314   11.018 -2.517807 15.28757 
1 1 1   12   13   53 o  242.323   5.6922  161.632   7.4472  157.878   10.671  165.195   10.398  239.472   8.2462  245.173   7.8489 -5.700851 11.38439 
1 1 1   12   13   54 o  126.430   8.1207   45.808   5.4221   37.938   8.0489   52.347   7.3366  115.662   12.878  137.197   9.8961 -21.53481 16.24135 
1 1 1   12   13   55 o   78.855   12.449   19.173   5.1362   17.799   7.8380   20.207   6.7994   75.544   19.169   82.166   15.889 -6.621674 24.89814 
1 1 1   12   13   56 o   48.989   13.399   5.0631   5.0935   8.8996   7.8193   2.2354   6.7131   55.798   20.184   42.180   17.627 13.61827 26.79729 
1 1 1   12   13   57 o  267.251   5.9761  199.037   8.6158  190.144   12.341  207.495   12.034  261.144   8.7452  273.358   8.1472 -12.21463 11.95215 
1 1 1   12   13   58 o   42.400   12.509  -0.4263   5.4833 -10.0778   8.0925   7.7658   7.4556   32.298   15.567   52.502   19.585 -20.20408 25.01854 
1 1 1   12   13   59 o   36.567   11.857  -4.4583   5.5322 -10.6236   8.4123   0.2398   7.3435   32.797   15.824   40.336   17.663 -7.539089 23.71473 
1 1 1   12   13   60 o   46.965   13.557   5.7142   5.4345   4.6195   8.4132   6.4981   7.1190   46.242   19.552   47.687   18.787 -1.445110 27.11501 
1 1 1   12   13   61 o   53.445   13.914   8.9571   5.4185   6.0809   8.0710   11.317   7.3111   48.777   19.737   58.112   19.618 -9.334827 27.82861 
1 1 1   12   13   62 o   38.441   12.188  -0.5024   5.4455  -5.5493   8.2556   3.3846   7.2451   34.627   16.422   42.255   18.015 -7.628117 24.37697 
1 1 1   12   14    0 o  462.995   9.5702  578.068   23.884  607.658   35.326  553.153   32.415  473.857   13.796  452.134   13.267 21.72311 19.14047 
1 1 1   12   14    1 o  597.232   11.292  965.019   36.427  938.063   50.642  993.919   52.437  588.601   15.922  605.864   16.017 -17.26263 22.58433 
1 1 1   12   14    2 o  708.976   11.214  1330.07   39.087  1435.14   73.572  1288.75   46.137  727.749   18.709  690.203   12.370 37.54559 22.42863 
1 1 1   12   14    3 o  758.678   9.5237  1557.17   39.039  1538.16   54.688  1576.92   55.746  753.961   13.423  763.395   13.514 -9.434265 19.04744 
1 1 1   12   14    4 o  744.693   13.232  1500.47   53.247   0.0000   0.0000  1500.47   53.247  ?   ?   744.693   13.232      ?      ? 
1 1 1   12   14    5 o  1041.31   12.662  2937.04   71.247  2924.62  100.436  2949.62  101.083  1039.09   17.887  1043.52   17.926 -4.426147 25.32400 
1 1 1   12   14    6 o  814.364   10.138  1794.07   44.603  1767.08   62.260  1822.53   63.928  808.081   14.258  820.646   14.416 -12.56500 20.27622 
1 1 1   12   14    7 o  586.627   7.7310  930.526   24.505  921.233   34.393  940.108   34.923  583.654   10.905  589.600   10.961 -5.946045 15.46202 
1 1 1   12   14    8 o  517.283   7.8487  736.544   19.735  693.919   36.613  754.000   23.430  506.433   13.379  528.132   8.2101 -21.69882 15.69737 
1 1 1   12   14    9 o  465.855   7.8043  593.316   19.119  557.658   30.290  616.933   24.651  454.036   12.346  477.674   9.5502 -23.63803 15.60856 
1 1 1   12   14   11 o  971.126   11.869  2551.13   62.284   0.0000   0.0000  2551.13   62.284  ?   ?   971.126   11.869      ?      ? 
1 1 1   12   14   12 o  887.968   10.939  2132.58   52.489   0.0000   0.0000  2132.58   52.489  ?   ?   887.968   10.939      ?      ? 
1 1 1   12   14   13 o  818.849   10.177  1813.26   45.029   0.0000   0.0000  1813.26   45.029  ?   ?   818.849   10.177      ?      ? 
1 1 1   12   14   14 o  616.722   11.185  1028.76   37.276   0.0000   0.0000  1028.76   37.276  ?   ?   616.722   11.185      ?      ? 
1 1 1   12   14   15 o  924.294   11.343  2310.86   56.656   0.0000   0.0000  2310.86   56.656  ?   ?   924.294   11.343      ?      ? 
1 1 1   12   14   16 o  321.642   5.8035  279.599   10.087   0.0000   0.0000  279.599   10.087  ?   ?   321.642   5.8035      ?      ? 
1 1 1   12   14   17 o  621.302   8.1081  1043.61   27.221   0.0000   0.0000  1043.61   27.221  ?   ?   621.302   8.1081      ?      ? 
1 1 1   12   14   18 o  104.807   11.800   35.430   5.2739   21.401   10.164   40.599   6.1695   87.086   21.682  122.528   9.3181 -35.44161 23.59984 
1 1 1   12   14   19 o  436.732   7.7951  516.364   17.328  515.090   30.044  517.000   21.212  436.226   12.745  437.237   8.9780 -1.011078 15.59012 
1 1 1   12   14   20 o  284.021   8.4405  218.140   12.954  218.140   12.954   0.0000   0.0000  284.021   8.4405  ?   ?       ?      ? 
1 1 1   12   14   21 o  894.481   15.600  2168.04   75.402   0.0000   0.0000  2168.04   75.402  ?   ?   894.481   15.600      ?      ? 
1 1 1   12   14   22 o  220.904   6.2845  131.554   7.4606  135.789   11.227  128.204   9.9840  224.068   9.2723  217.739   8.4855 6.329636 12.56899 
1 1 1   12   14   23 o  372.660   6.1191  375.694   12.319  368.646   17.522  382.583   17.322  369.198   8.7829  376.123   8.5226 -6.924957 12.23828 
1 1 1   12   14   24 o  480.583   6.8415  623.230   17.744  590.597   24.377  660.003   25.877  467.238   9.6552  493.928   9.6955 -26.68970 13.68301 
1 1 1   12   14   26 o  158.055   7.6118   67.882   6.4288   65.720   9.7662   69.536   8.5401  155.802   11.600  160.308   9.8587 -4.505371 15.22361 
1 1 1   12   14   27 o  214.560   6.2162  124.182   7.1420  127.250   10.915  121.885   9.4441  216.853   9.3151  212.268   8.2336 4.585037 12.43238 
1 1 1   12   14   28 o  199.085   6.4827  107.399   6.8616  106.408   10.682  108.095   8.9527  198.275   9.9703  199.896   8.2882 -1.620972 12.96538 
1 1 1   12   14   29 o  263.219   5.8657  187.783   8.3106  183.452   12.227  191.502   11.330  260.375   8.6902  266.063   7.8807 -5.687469 11.73138 
1 1 1   12   14   30 o  577.230   7.6896  901.208   23.961  865.709   32.989  940.845   34.859  565.232   10.801  589.227   10.948 -23.99475 15.37922 
1 1 1   12   14   31 o  491.954   8.3409  670.313   21.697  541.441   31.832  782.145   29.653  446.619   13.190  537.290   10.213 -90.67102 16.68178 
1 1 1   12   14   32 o  351.072   5.9844  334.107   11.338  322.387   16.262  345.193   15.816  345.051   8.7219  357.093   8.1964 -12.04187 11.96883 
1 1 1   12   14   33 o  189.037   9.6658   96.847   9.8736   0.0000   0.0000   96.847   9.8736  ?   ?   189.037   9.6658      ?      ? 
1 1 1   12   14   34 o  132.342   9.8404   47.498   7.0372   0.0000   0.0000   47.498   7.0372  ?   ?   132.342   9.8404      ?      ? 
1 1 1   12   14   35 o  245.368   5.8799  164.326   7.7391  148.838   11.276  178.117   10.641  234.305   8.9063  256.431   7.6792 -22.12541 11.75974 
1 1 1   12   14   36 o  317.724   12.390  274.775   21.272   0.0000   0.0000  274.775   21.272  ?   ?   317.724   12.390      ?      ? 
1 1 1   12   14   37 o  235.970   9.0198  149.911   11.409  137.342   15.016  167.072   17.547  224.483   12.379  247.458   13.122 -22.97449 18.03963 
1 1 1   12   14   38 o  244.813   8.7189  163.380   11.494  161.982   15.591  165.045   17.013  243.760   11.836  245.867   12.805 -2.107391 17.43789 
1 1 1   12   14   39 o  445.951   9.5245  543.820   22.949  544.820   32.236  542.793   32.679  446.409   13.363  445.494   13.575 0.9147949 19.04898 
1 1 1   12   14   40 o   58.610   14.768   8.0659   5.1548   8.4707   11.105   7.9547   5.8199   62.972   23.816   54.247   17.470 8.725510 29.53647 
1 1 1   12   14   41 o  157.183   6.6470   65.039   5.4999   77.208   9.1085   58.056   6.8997  168.283   10.017  146.083   8.7406 22.20029 13.29397 
1 1 1   12   14   42 o  274.411   5.5526  204.947   8.2028  201.340   12.075  208.037   11.178  272.089   8.2130  276.733   7.4748 -4.643799 11.10523 
1 1 1   12   14   43 o  251.662   5.5847  172.419   7.5529  170.648   11.256  173.871   10.187  250.394   8.3189  252.930   7.4532 -2.536407 11.16940 
1 1 1   12   14   44 o  261.765   5.6327  186.400   7.9206  188.525   11.891  184.706   10.620  262.997   8.3670  260.533   7.5433 2.463776 11.26536 
1 1 1   12   14   45 o  210.481   5.8373  120.946   6.5971  119.747   9.8740  121.912   8.8666  209.423   8.7253  211.540   7.7567 -2.116333 11.67464 
1 1 1   12   14   46 o  179.740   6.1980   88.830   5.9388   84.740   9.0563   91.916   7.8664  175.902   9.5278  183.579   7.9299 -7.676224 12.39603 
1 1 1   12   14   47 o   43.850   13.405   0.6227   5.2240  -0.8786   10.367   1.1336   6.0480   47.915   20.984   39.785   16.686 8.129658 26.80953 
1 1 1   12   14   48 o   55.949   14.435   4.0888   5.7463   16.023   10.382  -1.1809   6.8993   73.177   23.309   38.721   17.034 34.45599 28.86975 
1 1 1   12   14   49 o  148.210   10.193   68.179   7.2968   42.432   11.689   84.617   9.3401  121.263   17.839  175.156   9.8682 -53.89325 20.38620 
1 1 1   12   14   50 o  210.233   6.5814  121.811   7.4677  123.208   10.348  120.293   10.788  211.602   9.0498  208.865   9.5582 2.737000 13.16278 
1 1 1   12   14   51 o  121.401   8.2676   41.338   5.3163   40.329   8.3216   42.033   6.9103  119.723   12.863  123.078   10.390 -3.355370 16.53529 
1 1 1   12   14   52 o  173.637   6.5153   83.006   6.0614   86.059   9.2580   80.716   8.0190  176.194   9.7239  171.080   8.6742 5.113861 13.03058 
1 1 1   12   14   53 o   96.366   10.775   27.604   5.3227   24.455   8.1850   29.912   7.0065   89.927   17.473  102.804   12.613 -12.87672 21.54993 
1 1 1   12   14   54 o   55.380   13.799   8.5510   5.1138   10.136   7.7154   7.3088   6.8294   58.708   20.151   52.051   18.858 6.657040 27.59827 
1 1 1   12   14   55 o   63.704   12.430   12.587   5.2648   1.7333   7.9886   20.921   7.0000   44.246   18.892   83.162   16.159 -38.91523 24.86025 
1 1 1   12   14   56 o   53.043   13.168   7.3228   5.3397  -0.7646   8.1396   13.433   7.0749   41.100   18.270   64.986   18.968 -23.88627 26.33593 
1 1 1   12   14   57 o   90.371   12.261   25.281   5.7312   27.571   8.7353   23.550   7.5942   93.609   17.922   87.134   16.737 6.474922 24.52204 
1 1 1   12   14   58 o  154.555   7.9515   68.421   6.5765   60.262   9.5302   75.837   9.0868  145.045   12.159  164.066   10.250 -19.02118 15.90293 
1 1 1   12   14   59 o  201.048   6.6987  114.940   7.2582  117.606   10.705  112.671   9.8747  202.880   9.7644  199.216   9.1731 3.664383 13.39733 
1 1 1   12   14   60 o  199.047   6.8213  112.832   7.3221  112.802   10.689  112.858   10.050  198.689   9.9558  199.404   9.3274 -0.7143097 13.64254 
1 1 1   12   14   61 o   92.241   11.909   27.894   5.7380   27.446   8.7066   28.237   7.6292   89.467   18.615   95.015   14.859 -5.547813 23.81871 
1 1 1   12   15    0 f  158.928   9.4830   68.292   8.1440   0.0000   0.0000   68.292   8.1440  ?   ?   158.928   9.4830      ?      ? 
1 1 1   12   15    1 o  490.608   8.6226  643.309   21.129  631.103   25.307  671.396   38.389  483.124   9.6938  498.091   14.263 -14.96719 17.24523 
1 1 1   12   15    2 o  648.672   12.073  1139.53   42.315  1138.96   60.220  1140.09   59.473  648.502   17.185  648.842   16.963 -0.3402710 24.14635 
1 1 1   12   15    3 o  665.078   12.328  1197.83   44.296  1208.56   63.427  1187.61   61.890  667.972   17.572  662.185   17.296 5.787720 24.65669 
1 1 1   12   15    4 o  949.937   16.667  2449.22   85.551  2434.69  120.546  2463.96  121.434  947.101   23.554  952.773   23.586 -5.671875 33.33343 
1 1 1   12   15    5 o  776.420   14.022  1632.39   58.790  1588.74   81.320  1680.18   85.091  765.581   19.657  787.259   20.002 -21.67834 28.04448 
1 1 1   12   15    6 o  988.972   15.069  2604.95   73.812  2772.52  136.701  2535.99   87.694  1010.29   25.040  967.658   16.771 42.62848 30.13777 
1 1 1   12   15    7 o  289.376   8.2075  226.380   12.834   0.0000   0.0000  226.380   12.834  ?   ?   289.376   8.2075      ?      ? 
1 1 1   12   15    8 o  175.372   10.502   83.176   9.9525   83.176   9.9525   0.0000   0.0000  175.372   10.502  ?   ?       ?      ? 
1 1 1   12   15   10 o  319.443   8.7490  275.891   15.102   0.0000   0.0000  275.891   15.102  ?   ?   319.443   8.7490      ?      ? 
1 1 1   12   15   11 o  211.545   6.7417  120.959   7.7066   0.0000   0.0000  120.959   7.7066  ?   ?   211.545   6.7417      ?      ? 
1 1 1   12   15   12 o  554.616   7.4789  831.495   22.414   0.0000   0.0000  831.495   22.414  ?   ?   554.616   7.4789      ?      ? 
1 1 1   12   15   13 o  877.427   12.562  2083.09   59.562   0.0000   0.0000  2083.09   59.562  ?   ?   877.427   12.562      ?      ? 
1 1 1   12   15   14 f  517.135   7.1545  722.901   19.993   0.0000   0.0000  722.901   19.993  ?   ?   517.135   7.1545      ?      ? 
1 1 1   12   15   15 o  200.309   7.0765  108.463   7.6596   0.0000   0.0000  108.463   7.6596  ?   ?   200.309   7.0765      ?      ? 
1 1 1   12   15   16 o  368.338   8.1811  366.835   16.283   0.0000   0.0000  366.835   16.283  ?   ?   368.338   8.1811      ?      ? 
1 1 1   12   15   17 o  190.559   8.1674   98.189   8.4101   0.0000   0.0000   98.189   8.4101  ?   ?   190.559   8.1674      ?      ? 
1 1 1   12   15   18 o  952.025   13.610  2425.51   59.257  2524.77  123.683  2395.94   67.510  963.369   23.759  940.681   13.281 22.68835 27.21917 
1 1 1   12   15   19 o  408.892   7.2228  447.831   13.594  460.811   28.051  443.848   15.541  412.595   12.582  405.189   7.0979 7.405579 14.44566 
1 1 1   12   15   20 o  408.222   6.3465  450.705   13.995  449.860   20.037  451.510   19.556  407.843   9.0918  408.601   8.8573 -0.7579956 12.69303 
1 1 1   12   15   21 o  165.538   7.6846   75.625   6.7346   64.036   10.069   85.006   9.0591  153.804   12.115  177.273   9.4571 -23.46878 15.36915 
1 1 1   12   15   23 o  624.596   11.540  1055.96   38.950   0.0000   0.0000  1055.96   38.950  ?   ?   624.596   11.540      ?      ? 
1 1 1   12   15   24 o  263.811   6.1988  188.622   8.8143  182.023   12.792  194.586   12.162  259.397   9.1262  268.225   8.3914 -8.827728 12.39768 
1 1 1   12   15   26 o  260.692   6.1388  184.752   8.6056  168.422   12.387  199.987   11.964  249.482   9.1885  271.901   8.1430 -22.41971 12.27754 
1 1 1   12   15   27 o  659.152   8.5493  1175.38   30.423  1135.75   41.939  1219.40   44.200  647.458   11.987  670.845   12.193 -23.38708 17.09868 
1 1 1   12   15   28 o  372.916   8.5425  376.379   17.214   0.0000   0.0000  376.379   17.214  ?   ?   372.916   8.5425      ?      ? 
1 1 1   12   15   29 o  435.455   9.0485  513.424   21.292   0.0000   0.0000  513.424   21.292  ?   ?   435.455   9.0485      ?      ? 
1 1 1   12   15   31 o  240.538   9.4010  156.746   12.219  156.746   12.219   0.0000   0.0000  240.538   9.4010  ?   ?       ?      ? 
1 1 1   12   15   32 o  504.674   10.200  691.021   27.746  663.739   37.657  723.423   41.039  493.892   14.110  515.455   14.734 -21.56360 20.40041 
1 1 1   12   15   34 o  444.196   13.353  537.387   32.050  537.387   32.050   0.0000   0.0000  444.196   13.353  ?   ?       ?      ? 
1 1 1   12   15   35 o  213.938   9.2335  125.523   10.605  135.631   14.614  114.279   15.413  223.221   12.116  204.655   13.937 18.56682 18.46709 
1 1 1   12   15   36 o  402.576   9.1719  442.118   19.934  437.613   27.544  447.072   28.886  400.499   12.727  404.653   13.210 -4.153900 18.34386 
1 1 1   12   15   37 o  336.986   7.1621  304.744   11.915  318.919   22.098  298.934   14.148  342.005   11.957  331.968   7.8871 10.03760 14.32424 
1 1 1   12   15   38 o  346.272   5.9202  326.126   11.047  315.952   16.078  335.227   15.205  341.075   8.7233  351.469   8.0061 -10.39346 11.84034 
1 1 1   12   15   39 o  533.979   10.179  776.821   29.372   0.0000   0.0000  776.821   29.372  ?   ?   533.979   10.179      ?      ? 
1 1 1   12   15   40 o   60.070   13.493   10.023   4.8226   8.7278   8.1956   10.708   5.9646   58.877   20.735   61.264   17.272 -2.387592 26.98638 
1 1 1   12   15   41 o   77.773   12.040   17.074   4.7674   18.735   7.9689   16.148   5.9496   80.364   18.702   75.181   15.168 5.182777 24.07945 
1 1 1   12   15   42 f   39.939   12.111  -0.4777   4.5101   2.0906   7.5642  -1.8943   5.6179   45.758   18.881   34.120   15.172 11.63762 24.22173 
1 1 1   12   15   43 o   71.255   12.464   15.417   4.7449   11.531   7.8231   17.678   5.9679   63.847   20.222   78.663   14.577 -14.81593 24.92817 
1 1 1   12   15   44 o  128.556   10.501   49.906   5.9932   38.874   11.958   53.607   6.9259  117.070   18.902  140.043   9.1522 -22.97334 21.00151 
1 1 1   12   15   45 o  223.693   7.9693  141.762   9.2760  120.090   14.551  156.599   12.040  208.204   12.933  239.182   9.3153 -30.97795 15.93861 
1 1 1   12   15   46 o  116.618   11.020   33.377   6.3532   51.824   12.473   26.914   7.3826  135.081   17.088   98.154   13.919 36.92711 22.03934 
1 1 1   12   15   47 o  139.262   10.155   54.800   6.9540   53.491   12.699   55.360   8.3106  136.949   17.161  141.574   10.863 -4.625366 20.31023 
1 1 1   12   15   48 o  122.736   8.1598   40.970   5.3432   47.633   8.4145   36.468   6.9167  130.811   11.904  114.661   11.163 16.14977 16.31955 
1 1 1   12   15   49 o  285.764   7.9152  223.746   12.222   0.0000   0.0000  223.746   12.222  ?   ?   285.764   7.9152      ?      ? 
1 1 1   12   15   50 o  154.742   7.0956   65.714   5.8526   69.926   9.1679   62.818   7.6034  158.630   10.695  150.854   9.3275 7.776932 14.19129 
1 1 1   12   15   51 o   92.194   11.006   24.991   5.1687   23.989   8.3207   25.621   6.5955   89.126   17.899   95.263   12.813 -6.137230 22.01186 
1 1 1   12   15   52 o  105.216   9.3636   31.039   5.2302   33.799   8.3340   29.246   6.7178  108.630   14.198  101.802   12.212 6.827370 18.72714 
1 1 1   12   15   53 o   59.193   13.699   9.7633   5.0719   14.461   8.0119   6.6218   6.5519   68.089   20.269   50.298   18.433 17.79111 27.39703 
1 1 1   12   15   54 o  144.054   7.6262   58.558   5.8585   56.863   8.9556   59.826   7.7457  141.731   11.693  146.376   9.7927 -4.644867 15.25237 
1 1 1   12   15   55 o  170.120   7.3626   82.259   6.6884   72.822   9.8246   90.410   9.1310  160.302   11.342  179.938   9.3910 -19.63518 14.72513 
1 1 1   12   15   56 o  141.790   8.3564   56.732   6.3197   71.101   9.5750   45.640   8.4124  157.842   11.226  125.739   12.381 32.10245 16.71274 
1 1 1   12   15   57 o  149.246   11.981   63.700   9.6625   63.700   9.6625   0.0000   0.0000  149.246   11.981  ?   ?       ?      ? 
1 1 1   12   15   58 o  113.056   10.252   38.484   6.2218   38.329   9.3067   38.609   8.3661  112.143   15.358  113.969   13.585 -1.825478 20.50399 
1 1 1   12   15   59 o  201.886   6.7437  116.004   7.3447  119.014   10.751  113.368   10.058  204.105   9.7475  199.668   9.3219 4.436996 13.48747 
1 1 1   12   15   60 o   99.576   11.757   31.378   5.8593   51.017   8.9766   16.799   7.7341  130.416   12.738   68.736   19.766 61.68009 23.51490 
1 1 1   12   16    0 o  248.291   8.2874  166.663   11.119   0.0000   0.0000  166.663   11.119  ?   ?   248.291   8.2874      ?      ? 
1 1 1   12   16    4 o  128.974   8.5670   46.398   5.7420   59.683   8.0140   32.383   8.2311  148.562   9.9828  109.386   13.925 39.17606 17.13400 
1 1 1   12   16    5 o  482.009   8.5884  630.411   20.945  633.907   25.521  623.198   36.659  484.174   9.7548  479.845   14.138 4.329010 17.17681 
1 1 1   12   16    6 f  567.852   11.214  872.856   34.398  884.009   49.436  862.387   47.894  571.355   16.012  564.349   15.705 7.006226 22.42853 
1 1 1   12   16    7 o  255.438   10.047  176.530   13.849  164.122   19.354  189.549   19.825  246.232   14.545  264.643   13.863 -18.41101 20.09362 
1 1 1   12   16    8 o  667.148   12.263  1204.18   44.209   0.0000   0.0000  1204.18   44.209  ?   ?   667.148   12.263      ?      ? 
1 1 1   12   16   10 o  1142.89   19.785  3542.40  122.191   0.0000   0.0000  3542.40  122.191  ?   ?   1142.89   19.785      ?      ? 
1 1 1   12   16   11 o  731.926   13.249  1449.97   52.402   0.0000   0.0000  1449.97   52.402  ?   ?   731.926   13.249      ?      ? 
1 1 1   12   16   12 o  533.812   10.203  770.753   29.431   0.0000   0.0000  770.753   29.431  ?   ?   533.812   10.203      ?      ? 
1 1 1   12   16   13 o  547.885   10.385  812.021   30.745   0.0000   0.0000  812.021   30.745  ?   ?   547.885   10.385      ?      ? 
1 1 1   12   16   14 f  588.063   7.8800  935.036   25.040   0.0000   0.0000  935.036   25.040  ?   ?   588.063   7.8800      ?      ? 
1 1 1   12   16   15 o  684.611   12.705  1268.82   47.000   0.0000   0.0000  1268.82   47.000  ?   ?   684.611   12.705      ?      ? 
1 1 1   12   16   16 o  374.758   8.4261  379.776   17.063   0.0000   0.0000  379.776   17.063  ?   ?   374.758   8.4261      ?      ? 
1 1 1   12   16   17 o  294.417   8.0142  234.378   12.750   0.0000   0.0000  234.378   12.750  ?   ?   294.417   8.0142      ?      ? 
1 1 1   12   16   18 o  257.815   6.3549  179.678   8.8533   0.0000   0.0000  179.678   8.8533  ?   ?   257.815   6.3549      ?      ? 
1 1 1   12   16   19 o  520.285   8.2893  740.039   20.313  717.793   39.909  747.817   23.598  514.715   14.349  525.855   8.3047 -11.13995 16.57867 
1 1 1   12   16   20 o  536.871   9.0494  780.461   24.659  780.631   43.020  780.378   30.093  536.707   14.834  537.035   10.370 -0.3275757 18.09890 
1 1 1   12   16   21 o  630.245   11.668  1075.21   39.738   0.0000   0.0000  1075.21   39.738  ?   ?   630.245   11.668      ?      ? 
1 1 1   12   16   22 o  379.224   6.4061  388.946   13.119  369.974   18.393  408.592   18.717  369.805   9.2045  388.642   8.9123 -18.83725 12.81220 
1 1 1   12   16   23 o  557.207   10.704  840.565   32.229   0.0000   0.0000  840.565   32.229  ?   ?   557.207   10.704      ?      ? 
1 1 1   12   16   24 o  689.432   12.527  1287.86   46.669   0.0000   0.0000  1287.86   46.669  ?   ?   689.432   12.527      ?      ? 
1 1 1   12   16   25 o  326.941   8.5416  289.204   15.090   0.0000   0.0000  289.204   15.090  ?   ?   326.941   8.5416      ?      ? 
1 1 1   12   16   26 o   70.209   17.318   11.880   7.6904   11.723   9.3090   12.216   13.648   67.053   22.127   73.365   26.646 -6.311790 34.63565 
1 1 1   12   16   27 f  786.124   12.359  1645.75   48.035  1593.22   56.938  1775.45   89.467  766.024   13.755  806.225   20.536 -40.20050 24.71727 
1 1 1   12   16   28 o  248.111   13.402  167.140   17.968   0.0000   0.0000  167.140   17.968  ?   ?   248.111   13.402      ?      ? 
1 1 1   12   16   29 o  210.335   9.8703  120.722   11.159  126.306   15.246  114.279   16.376  215.669   13.082  205.001   14.783 10.66785 19.74059 
1 1 1   12   16   30 o  358.026   8.9741  345.239   17.279  394.820   25.729  304.504   23.321  381.272   12.488  334.779   12.891 46.49319 17.94824 
1 1 1   12   16   31 o  283.132   8.7702  217.347   13.387  210.450   18.214  225.450   19.742  278.298   12.112  287.966   12.687 -9.667755 17.54039 
1 1 1   12   16   32 o  348.603   12.722  330.631   23.965   0.0000   0.0000  330.631   23.965  ?   ?   348.603   12.722      ?      ? 
1 1 1   12   16   33 o  286.399   12.827  223.356   19.851   0.0000   0.0000  223.356   19.851  ?   ?   286.399   12.827      ?      ? 
1 1 1   12   16   34 o  169.315   9.1623   77.904   8.1249   79.257   13.281   77.095   10.271  170.300   14.432  168.331   11.292 1.968597 18.32469 
1 1 1   12   16   35 o  213.682   6.4014  125.299   7.2926  114.531   10.962  133.850   9.7679  205.254   9.8832  222.111   8.1384 -16.85757 12.80277 
1 1 1   12   16   36 o  186.807   6.5970   96.594   6.5233   83.324   9.8308  107.033   8.7196  175.003   10.396  198.612   8.1246 -23.60933 13.19395 
1 1 1   12   16   37 o  514.497   9.9385  720.334   27.631   0.0000   0.0000  720.334   27.631  ?   ?   514.497   9.9385      ?      ? 
1 1 1   12   16   38 o  153.542   7.2065   63.345   5.8061   68.020   9.5580   60.611   7.3094  157.827   11.207  149.258   9.0626 8.569550 14.41292 
1 1 1   12   16   39 o  370.035   8.2327  372.315   16.462   0.0000   0.0000  372.315   16.462  ?   ?   370.035   8.2327      ?      ? 
1 1 1   12   16   40 o  230.936   6.0356  146.218   7.4515  136.667   11.168  153.881   10.004  223.947   9.2289  237.926   7.7809 -13.97861 12.07122 
1 1 1   12   16   41 o  296.270   5.8688  239.870   9.3439  229.342   13.777  248.839   12.716  290.090   8.7886  302.451   7.7802 -12.36148 11.73761 
1 1 1   12   16   42 o  154.797   9.8501   65.139   7.3480   69.212   14.197   63.649   8.5877  157.194   16.714  152.400   10.428 4.793839 19.70025 
1 1 1   12   16   43 o  178.456   8.6298   83.356   7.7467  100.315   14.280   76.284   9.2216  190.111   13.900  166.801   10.231 23.30927 17.25954 
1 1 1   12   16   44 o   84.859   14.620   22.242   6.2167   17.473   12.312   23.874   7.2023   77.188   25.446   92.529   14.405 -15.34161 29.24010 
1 1 1   12   16   45 o  164.698   7.4175   75.236   6.5532   68.493   9.5587   81.216   9.0016  157.454   11.235  171.942   9.6884 -14.48817 14.83508 
1 1 1   12   16   46 o  221.525   7.8752  134.155   9.4270   0.0000   0.0000  134.155   9.4270  ?   ?   221.525   7.8752      ?      ? 
1 1 1   12   16   47 o   62.058   12.584   8.3863   4.9145   21.141   8.2764   1.4396   6.1079   83.894   18.731   40.223   16.812 43.67058 25.16883 
1 1 1   12   16   48 o  104.784   9.7519   31.086   5.3603   30.280   8.6057   31.597   6.8517  103.121   15.444  106.448   11.912 -3.326439 19.50374 
1 1 1   12   16   49 o  120.190   8.6413   40.198   5.5213   42.106   8.6974   38.911   7.1457  122.211   13.170  118.169   11.191 4.041946 17.28255 
1 1 1   12   16   50 o   63.742   13.343   12.753   5.1287   7.6615   8.2909   15.908   6.5274   54.862   20.616   72.623   16.943 -17.76078 26.68540 
1 1 1   12   16   51 o  226.781   6.2618  143.369   7.5952  131.686   11.274  153.078   10.277  217.811   9.5788  235.751   8.0676 -17.94009 12.52354 
1 1 1   12   16   52 o  221.867   6.2127  136.660   7.3566  132.233   11.212  140.006   9.7482  218.267   9.5065  225.466   8.0012 -7.199188 12.42545 
1 1 1   12   16   53 o  124.623   8.7586   43.069   5.8158   51.544   9.2074   37.444   7.5018  134.411   12.677  114.836   12.089 19.57426 17.51728 
1 1 1   12   16   54 o   75.811   12.636   18.969   5.5764   8.6098   8.4956   26.811   7.3916   55.602   20.874   96.019   14.246 -40.41697 25.27219 
1 1 1   12   16   55 o  209.855   6.6616  123.911   7.5180  121.584   11.120  125.869   10.203  207.608   9.9125  212.102   8.9022 -4.494339 13.32316 
1 1 1   12   16   56 f  148.409   12.539   63.329   10.055   63.329   10.055   0.0000   0.0000  148.409   12.539  ?   ?       ?      ? 
1 1 1   12   16   57 o   72.355   14.221   17.747   5.8611   14.167   8.3476   21.228   8.2312   64.603   20.935   80.107   19.254 -15.50366 28.44239 
1 1 1   12   16   58 o   90.443   12.622   26.642   6.0245   35.725   8.9066   18.981   8.1795  107.316   15.359   73.570   20.034 33.74603 25.24428 
1 1 1   12   16   59 o  114.916   9.9069   40.762   5.9931   31.789   8.5685   49.356   8.3855  100.621   15.759  129.212   12.010 -28.59167 19.81370 
1 1 1   12   17    0 o  132.674   8.3895   47.988   5.9552   55.270   8.3748   40.541   8.4698  142.947   10.842  122.401   12.806 20.54642 16.77893 
1 1 1   12   17    1 o   94.671   11.772   25.836   5.7896   47.451   8.5437   7.4823   7.8729  132.435   11.939   56.907   20.292 75.52820 23.54364 
1 1 1   12   17    3 o  1294.48   15.650  4547.45  109.447  4489.24  152.783  4608.80  156.860  1286.02   21.986  1302.95   22.279 -16.93213 31.30057 
1 1 1   12   17    4 o  407.420   6.6089  448.294   14.540  429.265   20.165  468.904   20.986  398.425   9.3663  416.416   9.3263 -17.99106 13.21774 
1 1 1   12   17    5 o  305.248   6.2123  251.704   10.237  236.435   14.260  267.941   14.705  295.701   8.9245  314.794   8.6444 -19.09338 12.42466 
1 1 1   12   17    6 o  228.694   6.5818  140.834   8.1083  134.269   10.955  148.788   12.058  222.830   9.0981  234.558   9.5133 -11.72844 13.16352 
1 1 1   12   17    7 o  158.225   8.5520   67.605   7.2685   78.311   10.554   57.947   10.024  170.128   11.481  146.322   12.678 23.80515 17.10409 
1 1 1   12   17    8 o  246.965   7.2867  164.888   9.7243   0.0000   0.0000  164.888   9.7243  ?   ?   246.965   7.2867      ?      ? 
1 1 1   12   17    9 o  711.249   9.1538  1368.12   35.181   0.0000   0.0000  1368.12   35.181  ?   ?   711.249   9.1538      ?      ? 
1 1 1   12   17   10 o  178.096   12.783   85.866   12.302   0.0000   0.0000   85.866   12.302  ?   ?   178.096   12.783      ?      ? 
1 1 1   12   17   11 o  801.185   11.732  1737.21   50.794   0.0000   0.0000  1737.21   50.794  ?   ?   801.185   11.732      ?      ? 
1 1 1   12   17   13 o  158.897   13.013   68.354   11.173   0.0000   0.0000   68.354   11.173  ?   ?   158.897   13.013      ?      ? 
1 1 1   12   17   15 o  475.873   10.270  612.666   26.408   0.0000   0.0000  612.666   26.408  ?   ?   475.873   10.270      ?      ? 
1 1 1   12   17   16 o  107.188   20.712   32.272   11.563   0.0000   0.0000   32.272   11.563  ?   ?   107.188   20.712      ?      ? 
1 1 1   12   17   17 o  523.393   10.951  741.361   30.973   0.0000   0.0000  741.361   30.973  ?   ?   523.393   10.951      ?      ? 
1 1 1   12   17   19 o  212.250   9.7555  121.711   11.145  118.378   15.025  125.788   16.619  209.049   13.301  215.451   14.274 -6.401443 19.51102 
1 1 1   12   17   20 o  834.849   14.855  1894.48   66.952  1953.38   97.263  1841.44   92.300  847.094   21.248  822.604   20.765 24.49048 29.70958 
1 1 1   12   17   21 o  544.559   10.684  803.771   31.412  787.612   43.358  821.622   45.571  538.836   14.891  550.282   15.325 -11.44537 21.36845 
1 1 1   12   17   22 o  467.998   9.8040  592.394   24.747  571.847   33.773  616.216   36.365  459.286   13.608  476.710   14.117 -17.42432 19.60796 
1 1 1   12   17   23 o  282.329   8.8382  216.037   13.466  230.856   19.200  201.689   18.892  291.880   12.173  272.777   12.817 19.10397 17.67644 
1 1 1   12   17   24 o  476.391   9.8599  615.936   25.379  612.838   35.581  619.144   36.210  475.185   13.857  477.597   14.031 -2.411530 19.71988 
1 1 1   12   17   25 o  247.744   9.0965  166.685   12.164  170.135   16.922  162.995   17.499  250.428   12.505  245.059   13.214 5.369003 18.19301 
1 1 1   12   17   26 o  444.205   9.5682  531.416   22.869  586.487   34.309  487.387   30.677  464.723   13.662  423.687   13.399 41.03683 19.13640 
1 1 1   12   17   27 o  385.542   9.1092  403.698   18.971  411.486   26.671  395.721   26.991  389.337   12.677  381.747   13.084 7.589966 18.21833 
1 1 1   12   17   28 o  577.202   11.134  907.188   34.716  896.171   48.343  918.919   49.886  573.630   15.596  580.775   15.896 -7.144958 22.26900 
1 1 1   12   17   29 o  352.077   7.4576  329.799   13.171  353.829   23.883  319.296   15.790  360.856   12.248  343.298   8.5118 17.55795 14.91515 
1 1 1   12   17   30 f  234.659   7.8123  157.051   9.2683  125.428   15.213  175.717   11.688  214.683   13.114  254.634   8.4943 -39.95157 15.62450 
1 1 1   12   17   31 o   64.747   14.712   11.213   5.7615   11.653   9.0865   10.917   7.4507   66.318   21.860   63.176   19.696 3.142090 29.42428 
1 1 1   12   17   32 o  308.413   6.0512  258.162   10.066  238.701   14.169  277.993   14.303  296.630   8.8394  320.196   8.2663 -23.56589 12.10234 
1 1 1   12   17   33 o  136.948   11.675   52.037   6.9567   50.608   15.252   52.413   7.8172  135.075   20.896  138.821   10.421 -3.746582 23.35004 
1 1 1   12   17   34 o   99.700   11.724   28.862   5.8878   23.212   9.2413   32.723   7.6389   89.931   19.573  109.469   12.914 -19.53886 23.44883 
1 1 1   12   17   35 o  177.963   7.6377   86.187   7.3389   81.457   10.246   91.171   10.517  172.931   10.964  182.995   10.636 -10.06445 15.27541 
1 1 1   12   17   36 o  234.287   7.8333  149.018   9.9171   0.0000   0.0000  149.018   9.9171  ?   ?   234.287   7.8333      ?      ? 
1 1 1   12   17   37 f  367.869   8.3280  367.916   16.555   0.0000   0.0000  367.916   16.555  ?   ?   367.869   8.3280      ?      ? 
1 1 1   12   17   38 o  220.731   7.9332  132.440   9.4623   0.0000   0.0000  132.440   9.4623  ?   ?   220.731   7.9332      ?      ? 
1 1 1   12   17   39 o  331.652   8.3700  305.078   14.793  273.874   22.100  330.405   19.911  315.633   12.958  347.672   10.598 -32.03873 16.74004 
1 1 1   12   17   40 o  307.392   8.4040  264.775   13.671  219.842   20.239  302.477   18.539  282.299   13.268  332.486   10.319 -50.18744 16.80805 
1 1 1   12   17   41 o  211.643   8.6737  127.773   9.1108  111.914   15.921  135.495   11.110  200.623   14.686  222.663   9.2335 -22.04015 17.34742 
1 1 1   12   17   42 o  177.270   7.4055   86.172   7.0708   87.187   10.453   85.315   9.6003  178.128   10.860  176.412   10.071 1.715805 14.81107 
1 1 1   12   17   43 o  156.622   7.2411   65.390   5.9771   76.387   9.8467   58.974   7.5213  166.556   10.941  146.688   9.4888 19.86812 14.48226 
1 1 1   12   17   44 o  137.522   7.7320   52.657   5.6083   50.008   8.8245   54.453   7.2640  134.246   12.165  140.798   9.5476 -6.552124 15.46408 
1 1 1   12   17   45 o  330.592   8.0935  299.045   14.458   0.0000   0.0000  299.045   14.458  ?   ?   330.592   8.0935      ?      ? 
1 1 1   12   17   46 o  152.856   7.2106   63.823   5.8570   68.597   9.2891   60.673   7.5461  157.292   10.929  148.420   9.4090 8.872330 14.42122 
1 1 1   12   17   47 o  157.797   7.0292   67.860   5.8818   73.555   9.4067   64.204   7.5368  162.888   10.687  152.706   9.1337 10.18181 14.05840 
1 1 1   12   17   48 o  159.010   7.3230   70.765   6.1412   67.223   9.6613   73.166   7.9551  155.140   11.524  162.879   9.0384 -7.738983 14.64603 
1 1 1   12   17   49 o  225.043   6.2077  138.898   7.4562  145.163   11.585  134.467   9.7422  229.026   9.3609  221.060   8.1557 7.966141 12.41540 
1 1 1   12   17   50 o  223.077   6.1659  136.663   7.3383  142.754   11.417  132.376   9.5792  226.939   9.3100  219.216   8.0867 7.723557 12.33171 
1 1 1   12   17   51 o   75.955   13.805   17.624   5.5753   19.897   9.0532   16.236   7.0764   79.260   20.856   72.649   18.094 6.610657 27.61053 
1 1 1   12   17   52 o  202.496   6.6615  113.370   7.2147  120.088   11.145  108.524   9.4659  207.269   9.9504  197.723   8.8597 9.545624 13.32307 
1 1 1   12   17   53 o  194.678   6.9359  106.042   7.1958  106.674   11.138  105.590   9.4275  194.607   10.591  194.749   8.9585 -0.1419525 13.87183 
1 1 1   12   17   54 o  106.035   10.560   33.272   5.9661   34.281   9.2700   32.559   7.7950  106.627   16.089  105.443   13.681 1.183319 21.11908 
1 1 1   12   17   55 o  112.872   15.327   37.725   9.3484   37.725   9.3484   0.0000   0.0000  112.872   15.327  ?   ?       ?      ? 
1 1 1   12   17   56 o  113.020   10.451   38.876   6.2435   33.876   9.3779   42.857   8.3675  104.983   16.531  121.057   12.791 -16.07364 20.90207 
1 1 1   12   17   57 o   64.821   14.887   15.016   5.9851   17.372   8.7719   12.963   8.1869   69.087   21.343   60.555   20.759 8.532692 29.77358 
1 1 1   12   17   58 o   65.937   14.564   15.647   5.8398   13.170   8.5387   17.824   8.0047   60.770   21.179   71.104   19.996 -10.33403 29.12742 
1 1 1   12   18    0 o  146.168   8.7162   58.016   6.8528   64.303   9.6796   51.698   9.7032  154.148   11.621  138.189   12.994 15.95952 17.43250 
1 1 1   12   18    2 o  347.160   6.3597  325.751   11.909  329.038   17.411  322.861   16.325  348.795   9.2376  345.525   8.7435 3.270782 12.71936 
1 1 1   12   18    5 o  176.244   11.146   84.051   10.615   0.0000   0.0000   84.051   10.615  ?   ?   176.244   11.146      ?      ? 
1 1 1   12   18    6 o  496.125   15.224  666.892   40.815   0.0000   0.0000  666.892   40.815  ?   ?   496.125   15.224      ?      ? 
1 1 1   12   18    7 o  326.800   7.1736  279.586   11.699  313.063   21.621  265.725   13.912  340.117   11.764  313.482   8.2128 26.63522 14.34728 
1 1 1   12   18    8 o  435.198   9.2018  512.232   21.639   0.0000   0.0000  512.232   21.639  ?   ?   435.198   9.2018      ?      ? 
1 1 1   12   18    9 o  191.574   7.6533   99.228   7.9227   0.0000   0.0000   99.228   7.9227  ?   ?   191.574   7.6533      ?      ? 
1 1 1   12   18   10 o  514.207   7.4244  714.870   20.629   0.0000   0.0000  714.870   20.629  ?   ?   514.207   7.4244      ?      ? 
1 1 1   12   18   11 o  414.955   6.7647  465.496   15.168   0.0000   0.0000  465.496   15.168  ?   ?   414.955   6.7647      ?      ? 
1 1 1   12   18   12 o  280.351   11.007  212.701   16.674   0.0000   0.0000  212.701   16.674  ?   ?   280.351   11.007      ?      ? 
1 1 1   12   18   13 o  912.113   15.933  2255.64   78.529   0.0000   0.0000  2255.64   78.529  ?   ?   912.113   15.933      ?      ? 
1 1 1   12   18   14 o  241.850   11.396  158.315   14.893   0.0000   0.0000  158.315   14.893  ?   ?   241.850   11.396      ?      ? 
1 1 1   12   18   15 o  817.704   14.814  1812.05   65.459   0.0000   0.0000  1812.05   65.459  ?   ?   817.704   14.814      ?      ? 
1 1 1   12   18   16 o  469.816   7.1119  596.815   18.055   0.0000   0.0000  596.815   18.055  ?   ?   469.816   7.1119      ?      ? 
1 1 1   12   18   17 o  685.863   12.454  1274.27   46.156   0.0000   0.0000  1274.27   46.156  ?   ?   685.863   12.454      ?      ? 
1 1 1   12   18   18 o  606.567   11.969  996.634   39.232   0.0000   0.0000  996.634   39.232  ?   ?   606.567   11.969      ?      ? 
1 1 1   12   18   19 o  198.289   7.3738  106.336   7.9010   0.0000   0.0000  106.336   7.9010  ?   ?   198.289   7.3738      ?      ? 
1 1 1   12   18   20 f  485.115   8.1733  622.700   18.016  664.865   38.202  610.640   20.430  495.110   14.279  475.121   7.9575 19.98956 16.34661 
1 1 1   12   18   21 o  334.029   7.4365  298.608   12.447  311.712   22.479  292.814   14.948  339.107   12.267  328.952   8.4092 10.15497 14.87299 
1 1 1   12   18   22 o  208.313   7.1699  117.522   8.0694  118.693   11.542  116.404   11.286  209.324   10.204  207.302   10.075 2.021805 14.33981 
1 1 1   12   18   25 o   94.185   13.783   25.242   6.7508   23.798   10.081   26.416   9.0896   91.475   20.858   96.895   18.024 -5.419647 27.56658 
1 1 1   12   18   26 o  260.676   8.6653  184.057   12.206   0.0000   0.0000  184.057   12.206  ?   ?   260.676   8.6653      ?      ? 
1 1 1   12   18   27 o  124.239   9.8802   42.463   6.5594   36.488   9.4925   47.923   9.0743  115.703   15.183  132.776   12.648 -17.07368 19.76049 
1 1 1   12   18   28 o  166.391   7.9422   74.124   7.0618   91.739   10.649   60.299   9.4344  183.823   10.721  148.960   11.721 34.86230 15.88440 
1 1 1   12   18   29 o  351.121   6.2869  334.368   11.918  316.897   16.774  352.178   16.937  341.829   9.0814  360.412   8.6965 -18.58286 12.57382 
1 1 1   12   18   30 o  463.820   9.6006  583.977   24.062   0.0000   0.0000  583.977   24.062  ?   ?   463.820   9.6006      ?      ? 
1 1 1   12   18   31 o  261.819   6.2590  186.784   8.8113  177.414   12.922  194.927   12.046  255.587   9.3560  268.051   8.3167 -12.46332 12.51806 
1 1 1   12   18   32 o  382.592   6.3318  397.343   13.078  374.473   18.294  421.250   18.704  371.301   9.1180  393.883   8.7879 -22.58224 12.66351 
1 1 1   12   18   33 o  169.253   7.8310   78.450   7.0183   75.786   10.985   80.288   9.1233  166.667   12.197  171.838   9.8252 -5.171143 15.66195 
1 1 1   12   18   34 o  437.343   8.3730  541.781   18.993  431.081   29.340  621.632   24.919  396.678   13.688  478.009   9.6473 -81.33112 16.74604 
1 1 1   12   18   35 f   65.271   15.916   11.306   7.4355  -6.8829   15.402   16.833   8.4904   54.296   24.551   76.245   20.262 -21.94928 31.83200 
1 1 1   12   18   36 o  357.993   8.7695  354.298   16.804  321.396   24.751  382.432   22.887  342.017   13.392  373.969   11.326 -31.95242 17.53909 
1 1 1   12   18   37 o   43.369   13.865  -3.7759   6.6576 -20.7477   14.277   0.9405   7.5261   42.740   20.620   43.998   18.541 -1.258171 27.73018 
1 1 1   12   18   38 o  265.320   8.3089  195.800   11.499  181.982   18.512  204.482   14.673  257.019   13.329  273.621   9.9240 -16.60190 16.61771 
1 1 1   12   18   39 o  208.236   7.1989  118.124   8.0427   99.749   10.991  139.302   11.800  190.758   10.663  225.714   9.6747 -34.95607 14.39784 
1 1 1   12   18   40 o  203.181   6.4468  114.255   6.9511  103.954   10.597  122.034   9.2092  194.786   10.068  211.575   8.0551 -16.78929 12.89355 
1 1 1   12   18   41 o  190.298   8.4614   98.887   8.7009   0.0000   0.0000   98.887   8.7009  ?   ?   190.298   8.4614      ?      ? 
1 1 1   12   18   42 o  196.775   6.6626  107.822   6.9174   97.483   10.707  115.228   9.0626  188.191   10.529  205.358   8.1668 -17.16740 13.32512 
1 1 1   12   18   43 o  193.604   8.4367  102.610   8.8262   0.0000   0.0000  102.610   8.8262  ?   ?   193.604   8.4367      ?      ? 
1 1 1   12   18   44 o  340.513   8.2000  317.529   15.088   0.0000   0.0000  317.529   15.088  ?   ?   340.513   8.2000      ?      ? 
1 1 1   12   18   45 o  159.684   7.2177   69.479   6.1147   75.710   9.7726   65.470   7.8388  165.211   10.947  154.156   9.4103 11.05574 14.43545 
1 1 1   12   18   46 o  137.722   8.1332   53.841   5.8326   48.557   9.3224   57.239   7.4767  131.438   13.126  144.007   9.6082 -12.56859 16.26649 
1 1 1   12   18   47 o  148.030   7.6588   61.595   5.9553   58.281   9.4565   63.773   7.6666  144.136   12.141  151.923   9.3388 -7.786942 15.31757 
1 1 1   12   18   48 o   96.558   10.499   26.429   5.3439   28.286   8.6634   25.288   6.7895   98.704   16.243   94.411   13.308 4.293549 20.99868 
1 1 1   12   18   49 o  177.842   6.9215   87.826   6.5161   88.279   10.304   87.525   8.4115  177.725   10.729  177.960   8.7471 -0.2350311 13.84308 
1 1 1   12   18   50 o   72.734   13.491   15.051   5.5058   24.887   8.9106   8.9766   7.0025   89.767   18.964   55.701   19.193 34.06636 26.98131 
1 1 1   12   18   51 o  188.924   7.0031   99.153   7.1034  104.952   10.782   94.707   9.4420  193.510   10.311  184.337   9.4790 9.173096 14.00627 
1 1 1   12   18   52 o  150.057   8.0690   64.055   6.4692   63.082   9.8570   64.791   8.5741  148.475   12.286  151.639   10.464 -3.163803 16.13793 
1 1 1   12   18   53 o  134.793   8.8261   53.036   6.3450   46.844   9.3336   58.357   8.6516  126.543   13.650  143.042   11.193 -16.49898 17.65213 
1 1 1   12   18   54 o  160.044   7.8977   73.553   6.7145   66.910   10.164   78.697   8.9440  152.721   12.316  167.366   9.8895 -14.64467 15.79546 
1 1 1   12   18   55 f  133.747   9.4816   54.401   6.5753   44.708   10.160   61.384   8.6248  121.246   15.508  146.249   10.914 -25.00303 18.96329 
1 1 1   12   18   56 o   84.854   13.088   25.444   6.0943   14.908   9.0776   34.089   8.2229   64.037   21.859  105.671   14.401 -41.63357 26.17641 
1 1 1   12   18   57 o   86.914   13.598   26.221   6.2226   22.409   9.2104   29.422   8.4402   78.774   21.179   95.055   17.059 -16.28053 27.19512 
1 1 1   12   19    0 o  633.555   8.5070  1086.26   29.121  1074.60   40.851  1098.30   41.524  630.104   11.998  637.006   12.063 -6.902222 17.01394 
1 1 1   12   19    1 o  614.962   8.3333  1022.82   27.681  997.928   38.506  1049.44   39.822  607.229   11.735  622.696   11.835 -15.46704 16.66656 
1 1 1   12   19    3 o  448.449   7.1002  544.088   17.203  533.090   24.308  555.123   24.350  443.904   10.134  452.995   9.9477 -9.091278 14.20049 
1 1 1   12   19    4 o  475.313   7.3187  609.824   18.763  633.779   27.561  589.133   25.615  483.980   10.539  466.646   10.158 17.33414 14.63750 
1 1 1   12   19    5 o  296.960   9.5698  245.103   13.538  252.596   15.911  225.450   25.767  305.575   9.6359  288.344   16.537 17.23056 19.13958 
1 1 1   12   19    6 o  644.443   9.7764  1122.21   29.639  1130.63   58.893  1119.36   34.299  645.650   16.880  643.235   9.8679 2.414734 19.55286 
1 1 1   12   19    7 o  334.264   8.5761  302.187   15.491   0.0000   0.0000  302.187   15.491  ?   ?   334.264   8.5761      ?      ? 
1 1 1   12   19    8 o  300.954   7.5563  244.907   12.288   0.0000   0.0000  244.907   12.288  ?   ?   300.954   7.5563      ?      ? 
1 1 1   12   19    9 o  572.787   8.0723  887.221   24.985   0.0000   0.0000  887.221   24.985  ?   ?   572.787   8.0723      ?      ? 
1 1 1   12   19   10 o  807.632   10.311  1764.89   44.997   0.0000   0.0000  1764.89   44.997  ?   ?   807.632   10.311      ?      ? 
1 1 1   12   19   11 o  524.379   9.0185  743.783   25.555   0.0000   0.0000  743.783   25.555  ?   ?   524.379   9.0185      ?      ? 
1 1 1   12   19   12 o  192.542   8.4099  100.270   8.7499   0.0000   0.0000  100.270   8.7499  ?   ?   192.542   8.4099      ?      ? 
1 1 1   12   19   13 o  105.834   13.138   30.350   7.5138   0.0000   0.0000   30.350   7.5138  ?   ?   105.834   13.138      ?      ? 
1 1 1   12   19   14 o  708.791   13.297  1361.63   50.930   0.0000   0.0000  1361.63   50.930  ?   ?   708.791   13.297      ?      ? 
1 1 1   12   19   15 o  342.369   7.2996  317.005   13.505   0.0000   0.0000  317.005   13.505  ?   ?   342.369   7.2996      ?      ? 
1 1 1   12   19   16 o  153.208   9.0357   63.514   7.4805   0.0000   0.0000   63.514   7.4805  ?   ?   153.208   9.0357      ?      ? 
1 1 1   12   19   17 o  349.343   6.6733  330.016   12.597   0.0000   0.0000  330.016   12.597  ?   ?   349.343   6.6733      ?      ? 
1 1 1   12   19   18 o  173.427   8.2458   81.384   7.7275   0.0000   0.0000   81.384   7.7275  ?   ?   173.427   8.2458      ?      ? 
1 1 1   12   19   19 o  356.000   6.5356  342.781   12.573   0.0000   0.0000  342.781   12.573  ?   ?   356.000   6.5356      ?      ? 
1 1 1   12   19   20 f  558.766   8.8973  823.814   22.514  890.090   48.086  805.207   25.479  572.152   15.553  545.379   8.6455 26.77307 17.79454 
1 1 1   12   19   21 o  249.404   7.1678  163.888   8.2599  177.545   17.154  159.766   9.4244  255.808   12.410  243.001   7.1772 12.80730 14.33568 
1 1 1   12   19   22 o  605.592   16.248  998.423   53.170  998.423   53.170   0.0000   0.0000  605.592   16.248  ?   ?       ?      ? 
1 1 1   12   19   23 o  539.597   10.640  789.472   31.023   0.0000   0.0000  789.472   31.023  ?   ?   539.597   10.640      ?      ? 
1 1 1   12   19   26 o  154.412   8.7290   64.710   7.2675   66.748   10.699   62.964   9.9026  156.641   12.640  152.183   12.042 4.457352 17.45809 
1 1 1   12   19   27 o  204.772   7.2381  114.599   7.9434   98.730   11.314  130.023   11.155  190.624   10.984  218.919   9.4296 -28.29431 14.47621 
1 1 1   12   19   28 o  358.063   8.7669  347.777   16.963   0.0000   0.0000  347.777   16.963  ?   ?   358.063   8.7669      ?      ? 
1 1 1   12   19   29 o   80.244   14.630   18.945   6.4807   13.891   9.8884   22.750   8.5804   71.189   22.755   89.299   18.394 -18.11042 29.25985 
1 1 1   12   19   30 o  334.381   8.6299  303.537   15.593   0.0000   0.0000  303.537   15.593  ?   ?   334.381   8.6299      ?      ? 
1 1 1   12   19   31 o  293.975   8.1410  241.527   11.738  220.833   21.248  250.614   14.081  284.119   13.840  303.831   8.5765 -19.71207 16.28203 
1 1 1   12   19   32 o  161.651   11.539   72.972   9.4108   69.077   16.330   74.910   11.515  157.793   19.151  165.510   12.876 -7.716705 23.07720 
1 1 1   12   19   33 o   88.946   17.353   23.893   8.2509   18.768   15.549   25.901   9.7343   83.135   28.603   94.756   19.656 -11.62002 34.70523 
1 1 1   12   19   34 o  103.836   15.594   38.839   8.6177   9.6329   15.677   51.486   10.316   70.860   27.891  136.812   13.954 -65.95151 31.18723 
1 1 1   12   19   35 o  220.364   9.4816  136.869   10.633  122.860   17.869  144.549   13.231  210.705   15.694  230.023   10.645 -19.31758 18.96315 
1 1 1   12   19   36 o  159.694   8.7789   70.171   7.5591   73.304   10.518   66.824   10.871  163.491   11.906  155.897   12.904 7.594681 17.55776 
1 1 1   12   19   37 o  188.023   7.0864   97.109   7.1263   93.441   10.760   99.975   9.5111  184.667   10.783  191.379   9.1970 -6.711853 14.17271 
1 1 1   12   19   38 o   92.973   12.152   25.034   5.7673   23.267   9.2920   26.142   7.3555   88.866   19.851   97.081   14.021 -8.215286 24.30358 
1 1 1   12   19   39 o  101.777   11.149   29.768   5.7512   27.730   9.2751   31.041   7.3307   97.611   18.256  105.943   12.805 -8.331635 22.29890 
1 1 1   12   19   40 o  203.363   6.5825  114.353   7.1018  106.920   10.936  119.774   9.3391  197.299   10.257  209.427   8.2525 -12.12755 13.16506 
1 1 1   12   19   41 o  201.939   8.5395  111.625   9.3184   0.0000   0.0000  111.625   9.3184  ?   ?   201.939   8.5395      ?      ? 
1 1 1   12   19   42 o  111.965   9.7639   34.898   5.6822   35.846   9.4621   34.364   7.1062  112.621   15.548  111.308   11.815 1.313324 19.52778 
1 1 1   12   19   43 o  280.183   6.0808  216.819   9.1451  194.838   13.210  237.051   12.673  266.151   9.1849  294.214   7.9714 -28.06314 12.16166 
1 1 1   12   19   44 o  104.290   10.229   29.990   5.5941   33.982   9.3019   27.728   7.0018  109.149   15.771   99.431   13.032 9.718399 20.45847 
1 1 1   12   19   45 o  107.300   9.8868   32.504   5.5675   32.940   9.0206   32.236   7.0761  107.299   15.558  107.301   12.204 -0.2761841E-02 19.77350 
1 1 1   12   19   46 o   90.239   11.788   22.528   5.4946   34.187   8.9430   15.459   6.9640  109.193   15.157   71.286   18.058 37.90733 23.57587 
1 1 1   12   19   47 o   80.492   13.040   19.747   5.3749   20.157   9.0153   19.520   6.6949   80.058   20.690   80.927   15.877 -0.8695374 26.07953 
1 1 1   12   19   48 o   70.998   13.676   15.940   5.3463   13.702   8.8025   17.247   6.7298   66.528   21.491   75.468   16.920 -8.940277 27.35259 
1 1 1   12   19   49 o   74.498   13.608   17.682   5.4715   15.566   8.8360   18.998   6.9682   69.934   21.391   79.061   16.827 -9.126640 27.21642 
1 1 1   12   19   50 o   38.129   12.247  -4.8610   5.4964   1.9341   8.6951  -9.3834   7.0934   45.958   19.668   30.301   14.597 15.65734 24.49330 
1 1 1   12   19   51 o   45.199   13.518   2.4514   5.6132   4.6947   8.7787   0.8999   7.3007   49.264   20.335   41.134   17.816 8.130775 27.03599 
1 1 1   12   19   52 o  167.846   7.6739   79.542   6.8814   83.075   10.642   77.003   9.0213  170.489   11.551  165.204   10.106 5.285629 15.34771 
1 1 1   12   19   53 o  110.604   11.216   37.554   6.3104   31.661   9.6355   41.979   8.3502  100.521   18.418  120.686   12.804 -20.16520 22.43131 
1 1 1   12   19   54 o  117.743   10.052   41.242   6.3167   45.278   9.8820   38.455   8.2139  121.851   15.008  113.634   13.377 8.216118 20.10431 
1 1 1   12   19   55 o  167.410   7.7557   81.034   6.9791   82.880   10.456   79.550   9.3727  168.589   11.477  166.231   10.434 2.358368 15.51149 
1 1 1   12   19   56 o  146.947   8.7405   65.076   6.8255   56.530   10.066   72.351   9.2866  136.397   13.657  157.496   10.912 -21.09816 17.48107 
1 1 1   12   20    1 o  302.701   6.9662  247.819   11.393  252.357   16.289  243.474   15.940  305.412   9.8702  299.990   9.8330 5.422424 13.93231 
1 1 1   12   20    3 o  292.554   9.9655  231.568   15.754   0.0000   0.0000  231.568   15.754  ?   ?   292.554   9.9655      ?      ? 
1 1 1   12   20    4 o  506.938   15.876  696.847   43.490   0.0000   0.0000  696.847   43.490  ?   ?   506.938   15.876      ?      ? 
1 1 1   12   20    5 o  365.407   6.9315  360.925   13.673  368.669   19.857  353.943   18.856  369.123   9.9552  361.692   9.6477 7.431213 13.86306 
1 1 1   12   20    6 o  483.595   8.4592  632.564   22.105   0.0000   0.0000  632.564   22.105  ?   ?   483.595   8.4592      ?      ? 
1 1 1   12   20    7 o  420.330   7.9263  477.846   18.003   0.0000   0.0000  477.846   18.003  ?   ?   420.330   7.9263      ?      ? 
1 1 1   12   20    8 o  487.474   11.053  643.391   29.114   0.0000   0.0000  643.391   29.114  ?   ?   487.474   11.053      ?      ? 
1 1 1   12   20    9 o  466.268   10.959  588.657   27.611   0.0000   0.0000  588.657   27.611  ?   ?   466.268   10.959      ?      ? 
1 1 1   12   20   10 o  504.511   11.169  689.261   30.449   0.0000   0.0000  689.261   30.449  ?   ?   504.511   11.169      ?      ? 
1 1 1   12   20   11 o  473.146   10.979  606.167   28.069   0.0000   0.0000  606.167   28.069  ?   ?   473.146   10.979      ?      ? 
1 1 1   12   20   12 o   71.483   19.046   14.383   7.4895   0.0000   0.0000   14.383   7.4895  ?   ?    71.483   19.046      ?      ? 
1 1 1   12   20   13 o  876.200   15.763  2084.29   74.635   0.0000   0.0000  2084.29   74.635  ?   ?   876.200   15.763      ?      ? 
1 1 1   12   20   14 o  700.777   9.1978  1329.26   34.830   0.0000   0.0000  1329.26   34.830  ?   ?   700.777   9.1978      ?      ? 
1 1 1   12   20   15 o  461.860   10.849  577.969   27.076   0.0000   0.0000  577.969   27.076  ?   ?   461.860   10.849      ?      ? 
1 1 1   12   20   16 o  214.821   12.797  125.210   14.855   0.0000   0.0000  125.210   14.855  ?   ?   214.821   12.797      ?      ? 
1 1 1   12   20   17 o  725.528   11.026  1426.82   43.227   0.0000   0.0000  1426.82   43.227  ?   ?   725.528   11.026      ?      ? 
1 1 1   12   20   18 o  504.418   10.021  689.350   27.316   0.0000   0.0000  689.350   27.316  ?   ?   504.418   10.021      ?      ? 
1 1 1   12   20   19 o  302.721   7.1089  247.959   11.629   0.0000   0.0000  247.959   11.629  ?   ?   302.721   7.1089      ?      ? 
1 1 1   12   20   20 o  180.320   7.8074   88.018   7.6074   0.0000   0.0000   88.018   7.6074  ?   ?   180.320   7.8074      ?      ? 
1 1 1   12   20   21 o  312.620   7.0835  270.173   10.433  254.279   20.320  275.864   12.159  305.979   12.290  319.260   7.0477 -13.28079 14.16704 
1 1 1   12   20   22 o  516.000   8.4062  727.668   20.326  714.414   40.340  732.178   23.532  512.130   14.577  519.870   8.3769 -7.740051 16.81241 
1 1 1   12   20   23 o  416.883   8.0844  465.606   17.103  490.991   30.218  453.642   20.745  424.759   13.165  409.007   9.3863 15.75229 16.16878 
1 1 1   12   20   24 o  337.927   9.0301  309.661   16.489   0.0000   0.0000  309.661   16.489  ?   ?   337.927   9.0301      ?      ? 
1 1 1   12   20   25 o  477.908   7.1617  620.126   18.492  606.348   26.050  634.122   26.255  472.540   10.202  483.276   10.054 -10.73642 14.32334 
1 1 1   12   20   26 o  208.417   17.260  119.257   19.439  119.257   19.439   0.0000   0.0000  208.417   17.260  ?   ?       ?      ? 
1 1 1   12   20   27 o  244.082   10.293  162.074   13.223  167.410   21.411  158.784   16.813  246.972   16.043  241.191   12.900 5.781372 20.58648 
1 1 1   12   20   28 o  203.448   11.489  118.898   11.967   93.694   18.976  135.540   15.420  184.086   19.077  222.810   12.807 -38.72426 22.97701 
1 1 1   12   20   29 o  129.687   16.555   52.809   10.460   33.176   17.110   64.527   13.218  106.118   29.008  153.256   15.961 -47.13799 33.10913 
1 1 1   12   20   30 o  211.982   10.788  128.061   11.810  104.505   18.610  143.941   15.280  194.432   17.713  229.533   12.319 -35.10121 21.57625 
1 1 1   12   20   31 o  186.799   11.119   94.108   10.778  103.829   18.322   88.964   13.328  193.554   17.518  180.045   13.700 13.50905 22.23891 
1 1 1   12   20   32 o   56.569   14.888   6.5905   6.3477   1.6945   9.3094   10.845   8.6780   49.513   20.730   63.626   21.374 -14.11375 29.77561 
1 1 1   12   20   33 o  270.255   8.4699  198.719   12.369   0.0000   0.0000  198.719   12.369  ?   ?   270.255   8.4699      ?      ? 
1 1 1   12   20   34 o  307.122   8.4171  256.734   13.969   0.0000   0.0000  256.734   13.969  ?   ?   307.122   8.4171      ?      ? 
1 1 1   12   20   35 o  266.626   8.8647  201.156   10.952  184.572   21.647  206.862   12.698  257.728   15.543  275.524   8.5286 -17.79529 17.72948 
1 1 1   12   20   36 f   79.373   14.241   17.888   6.1526   24.484   9.5385   13.189   8.0515   91.222   19.909   67.524   20.369 23.69852 28.48278 
1 1 1   12   20   37 o  184.711   8.0550   92.942   8.0000   83.586   10.710  104.752   12.032  174.304   11.371  195.117   11.412 -20.81311 16.11004 
1 1 1   12   20   38 o  212.407   6.6948  124.161   7.6007  119.075   11.494  128.113   10.133  208.289   10.212  216.525   8.6602 -8.235565 13.38951 
1 1 1   12   20   39 o  123.837   9.4834   43.295   6.1568   40.058   9.7575   45.437   7.9361  119.434   15.119  128.240   11.452 -8.805885 18.96680 
1 1 1   12   20   40 o  192.425   7.1272  102.080   7.3049  101.021   11.288  102.844   9.5820  191.253   10.922  193.596   9.1595 -2.342743 14.25436 
1 1 1   12   20   41 o  119.316   9.4619   38.641   6.0034   47.423   9.5718   32.947   7.7079  130.076   13.618  108.556   13.140 21.51981 18.92373 
1 1 1   12   20   42 o   49.776   13.721   3.0413   5.3768   10.488   9.0002  -1.0912   6.7047   61.461   21.720   38.092   16.774 23.36934 27.44272 
1 1 1   12   20   43 o  162.247   7.3571   71.563   6.3574   80.706   10.070   65.503   8.1977  170.501   10.930  153.993   9.8515 16.50830 14.71420 
1 1 1   12   20   44 o   88.519   12.628   24.899   5.6616   17.676   9.2834   29.176   7.1438   75.288   21.657  101.750   12.993 -26.46164 25.25568 
1 1 1   12   20   45 o   44.574   13.216   1.3432   5.2861   5.3602   8.5549  -1.1378   6.7232   51.361   20.480   37.787   16.710 13.57381 26.43217 
1 1 1   12   20   46 o  135.475   8.5156   51.322   6.1194   53.883   9.7103   49.634   7.8814  137.771   13.043  133.180   10.952 4.591721 17.03126 
1 1 1   12   20   47 o   69.125   14.037   14.730   5.4099   15.425   8.7985   14.307   6.8598   70.039   21.330   68.211   18.252 1.828796 28.07312 
1 1 1   12   20   48 o   85.979   12.685   23.997   5.6264   16.925   9.0851   28.396   7.1660   72.413   21.590   99.544   13.322 -27.13029 25.36949 
1 1 1   12   20   49 f   70.157   14.233   16.188   5.7538   12.299   9.4152   18.506   7.2691   63.100   22.224   77.213   17.788 -14.11296 28.46615 
1 1 1   12   20   50 o  118.462   11.371   44.910   6.4756   33.715   10.510   51.760   8.2214  102.249   19.738  134.676   11.297 -32.42705 22.74198 
1 1 1   12   20   51 o   43.581   13.233  -3.0371   5.9268   8.9596   9.5815 -10.4721   7.5430   56.613   21.941   30.549   14.798 26.06400 26.46533 
1 1 1   12   20   52 o   81.030   14.441   22.091   6.3217   18.367   10.099   24.491   8.1064   73.467   22.935   88.592   17.554 -15.12508 28.88181 
1 1 1   12   20   53 o  123.037   9.9402   46.532   6.4674   42.848   9.9072   49.267   8.5374  117.084   15.659  128.989   12.249 -11.90531 19.88046 
1 1 1   12   20   54 o  156.302   8.1474   71.629   6.8015   66.125   10.135   76.140   9.1745  149.785   12.521  162.819   10.428 -13.03462 16.29476 
1 1 1   12   20   55 o  117.859   10.320   43.638   6.4488   37.871   9.5348   48.499   8.7550  108.789   16.219  126.929   12.765 -18.13950 20.63992 
1 1 1   12   21    0 o  252.856   7.2144  172.489   9.8354  164.768   13.376  181.578   14.513  246.724   10.033  258.988   10.370 -12.26447 14.42885 
1 1 1   12   21    1 o  523.110   10.860  740.919   30.699   0.0000   0.0000  740.919   30.699  ?   ?   523.110   10.860      ?      ? 
1 1 1   12   21    3 o   89.001   16.425   26.084   9.8286   37.681   11.053 -17.7500   21.488  117.774   17.367   60.228   27.884 57.54593 32.84992 
1 1 1   12   21    5 o  689.822   12.612  1289.45   47.013   0.0000   0.0000  1289.45   47.013  ?   ?   689.822   12.612      ?      ? 
1 1 1   12   21    6 o  271.760   7.1857  192.665   9.5302  216.847   18.331  183.708   11.157  282.917   11.990  260.602   7.9225 22.31485 14.37138 
1 1 1   12   21    7 o  458.218   8.5725  568.107   21.226   0.0000   0.0000  568.107   21.226  ?   ?   458.218   8.5725      ?      ? 
1 1 1   12   21    8 o  506.969   11.347  696.280   31.086   0.0000   0.0000  696.280   31.086  ?   ?   506.969   11.347      ?      ? 
1 1 1   12   21    9 o  258.916   7.3287  181.343   10.254   0.0000   0.0000  181.343   10.254  ?   ?   258.916   7.3287      ?      ? 
1 1 1   12   21   10 o  393.194   9.0310  418.530   19.188   0.0000   0.0000  418.530   19.188  ?   ?   393.194   9.0310      ?      ? 
1 1 1   12   21   11 o  304.108   8.6238  250.342   14.172   0.0000   0.0000  250.342   14.172  ?   ?   304.108   8.6238      ?      ? 
1 1 1   12   21   12 o  266.536   8.7531  192.328   12.607   0.0000   0.0000  192.328   12.607  ?   ?   266.536   8.7531      ?      ? 
1 1 1   12   21   13 o  336.365   8.7078  306.311   15.827   0.0000   0.0000  306.311   15.827  ?   ?   336.365   8.7078      ?      ? 
1 1 1   12   21   14 o  478.076   10.962  619.574   28.320   0.0000   0.0000  619.574   28.320  ?   ?   478.076   10.962      ?      ? 
1 1 1   12   21   15 o  277.179   6.8713  207.858   10.292   0.0000   0.0000  207.858   10.292  ?   ?   277.179   6.8713      ?      ? 
1 1 1   12   21   16 o  396.457   10.834  426.181   23.211   0.0000   0.0000  426.181   23.211  ?   ?   396.457   10.834      ?      ? 
1 1 1   12   21   17 o  362.186   6.8161  354.962   13.340   0.0000   0.0000  354.962   13.340  ?   ?   362.186   6.8161      ?      ? 
1 1 1   12   21   18 f  224.408   8.8066  136.441   10.679   0.0000   0.0000  136.441   10.679  ?   ?   224.408   8.8066      ?      ? 
1 1 1   12   21   19 o  407.960   6.8933  450.506   15.196   0.0000   0.0000  450.506   15.196  ?   ?   407.960   6.8933      ?      ? 
1 1 1   12   21   20 o   42.021   17.666   0.6729   6.8055   0.0000   0.0000   0.6729   6.8055  ?   ?    42.021   17.666      ?      ? 
1 1 1   12   21   21 f  310.605   7.1695  261.258   12.033   0.0000   0.0000  261.258   12.033  ?   ?   310.605   7.1695      ?      ? 
1 1 1   12   21   24 o  241.644   10.446  156.566   13.441  178.671   21.329  142.005   17.311  255.359   15.457  227.929   14.055 27.42996 20.89173 
1 1 1   12   21   25 o  189.570   13.553  105.532   12.994   74.459   20.173  127.568   16.988  163.307   22.860  215.834   14.566 -52.52702 27.10631 
1 1 1   12   21   26 o  184.677   13.065   94.285   12.646   93.671   20.490   94.662   16.073  183.700   20.641  185.655   16.021 -1.955307 26.12924 
1 1 1   12   21   27 o  178.008   10.099   86.305   9.3699   84.925   11.748   88.716   15.532  176.377   12.327  179.639   16.000 -3.262115 20.19814 
1 1 1   12   21   28 o   62.610   15.656   9.2080   6.8086   13.731   9.7531   4.9081   9.5093   70.482   22.606   54.739   21.666 15.74335 31.31255 
1 1 1   12   21   29 o  118.022   15.678   38.434   9.9988   38.434   9.9988   0.0000   0.0000  118.022   15.678  ?   ?       ?      ? 
1 1 1   12   21   30 o  152.258   9.0260   63.057   7.3505   76.913   10.904   51.515   9.9515  167.589   12.041  136.928   13.450 30.66077 18.05194 
1 1 1   12   21   32 o  113.503   11.973   38.272   6.7404   25.835   10.027   48.524   9.1041   94.108   20.314  132.897   12.678 -38.78809 23.94507 
1 1 1   12   21   33 o  178.053   7.7813   86.251   7.4392   92.261   11.304   81.660   9.8801  183.392   11.407  172.715   10.586 10.67651 15.56259 
1 1 1   12   21   34 o  115.253   10.649   36.847   6.5714   37.844   10.046   36.101   8.6880  116.403   15.971  114.103   14.091 2.299553 21.29864 
1 1 1   12   21   35 f   87.761   13.991   23.736   6.5582   16.021   10.483   28.696   8.4062   74.123   23.402  101.399   15.342 -27.27602 27.98259 
1 1 1   12   21   36 o  281.909   8.8616  234.736   11.749  187.432   21.769  254.179   13.956  258.731   15.571  305.086   8.4657 -46.35486 17.72326 
1 1 1   12   21   37 o  170.331   8.7306   80.075   8.0171   75.867   10.894   85.045   11.841  165.526   12.180  175.135   12.512 -9.609421 17.46110 
1 1 1   12   21   38 o  352.027   11.519  343.018   21.912   0.0000   0.0000  343.018   21.912  ?   ?   352.027   11.519      ?      ? 
1 1 1   12   21   39 o   48.308   13.915   3.3063   5.7993  -0.0235   9.0164   5.6560   7.5739   45.620   19.779   50.997   19.577 -5.376652 27.82945 
1 1 1   12   21   40 o  201.010   7.1611  114.467   7.5683   90.853   11.196  134.339   10.270  180.808   11.459  221.212   8.5919 -40.40396 14.32230 
1 1 1   12   21   41 o   73.386   13.766   14.548   5.7445   25.717   9.3953   7.8794   7.2596   92.267   19.457   54.504   19.480 37.76366 27.53254 
1 1 1   12   21   42 o  114.644   9.8278   36.377   6.0092   42.461   9.4774   32.287   7.7710  122.316   14.339  106.971   13.444 15.34488 19.65564 
1 1 1   12   21   43 o   90.045   12.458   24.445   5.8162   22.146   9.0635   26.055   7.5836   84.599   20.120   95.491   14.697 -10.89233 24.91611 
1 1 1   12   21   44 o  113.763   9.9950   35.732   6.0300   46.833   9.5149   28.281   7.7954  128.204   13.734   99.322   14.525 28.88210 19.98999 
1 1 1   12   21   45 o  234.518   6.4904  153.962   8.1198  138.782   12.090  166.435   10.959  223.323   10.019  245.712   8.2542 -22.38866 12.98088 
1 1 1   12   21   46 o   44.969   13.305   2.4423   5.4716  -1.4171   8.9760   4.7245   6.9024   42.875   19.114   47.064   18.513 -4.188416 26.60952 
1 1 1   12   21   47 o  137.159   9.0292   54.558   6.4735   49.925   10.269   57.614   8.3391  131.184   14.487  143.134   10.782 -11.94962 18.05849 
1 1 1   12   21   48 o   79.291   14.215   18.974   5.9718   26.696   9.9897   14.680   7.4495   90.771   20.811   67.810   19.368 22.96040 28.42901 
1 1 1   12   21   49 o   45.296   13.758   2.4255   5.9266   1.0966   9.8388   3.1823   7.4248   46.173   20.326   44.419   18.548 1.754208 27.51681 
1 1 1   12   21   50 o   99.314   13.107   31.798   6.5698   26.478   10.549   35.169   8.3971   88.979   22.052  109.649   14.172 -20.67033 26.21306 
1 1 1   12   21   51 o  111.213   12.740   42.341   6.7501   23.767   10.409   55.820   8.8675   83.008   22.599  139.418   11.770 -56.41041 25.48020 
1 1 1   12   21   52 o   56.692   14.800   11.256   6.2694   6.5486   9.8235   14.491   8.1435   50.195   21.170   63.190   20.688 -12.99552 29.59972 
1 1 1   12   21   53 o   39.157   12.745  -5.2596   6.1129   3.7143   9.9193 -10.7545   7.7620   47.944   20.767   30.371   14.781 17.57296 25.48999 
1 1 1   12   21   54 o  123.774   9.9572   46.700   6.5780   52.176   10.309   42.939   8.5433  128.988   14.790  118.559   13.335 10.42858 19.91445 
1 1 1   12   22    0 o  174.397   9.1805   82.459   8.6336   90.008   12.402   75.362   12.026  182.156   12.600  166.637   13.355 15.51840 18.36094 
1 1 1   12   22    1 o  201.684   8.3307  110.275   8.9871  132.184   13.025   90.365   12.416  220.854   10.914  182.515   12.589 38.33919 16.66148 
1 1 1   12   22    2 o  327.034   16.550  290.991   29.246   0.0000   0.0000  290.991   29.246  ?   ?   327.034   16.550      ?      ? 
1 1 1   12   22    3 o  417.646   15.201  474.099   34.306   0.0000   0.0000  474.099   34.306  ?   ?   417.646   15.201      ?      ? 
1 1 1   12   22    4 o  619.737   11.640  1041.38   38.980   0.0000   0.0000  1041.38   38.980  ?   ?   619.737   11.640      ?      ? 
1 1 1   12   22    5 o  378.989   7.3890  394.934   13.669  375.676   25.242  402.925   16.259  372.114   12.553  385.864   7.7979 -13.75049 14.77801 
1 1 1   12   22    6 o  309.986   8.7615  260.155   14.676   0.0000   0.0000  260.155   14.676  ?   ?   309.986   8.7615      ?      ? 
1 1 1   12   22    7 o   72.014   18.975   14.657   7.4872   0.0000   0.0000   14.657   7.4872  ?   ?    72.014   18.975      ?      ? 
1 1 1   12   22    8 o  298.062   7.0294  240.360   11.322   0.0000   0.0000  240.360   11.322  ?   ?   298.062   7.0294      ?      ? 
1 1 1   12   22    9 o  294.256   8.7237  234.445   13.871   0.0000   0.0000  234.445   13.871  ?   ?   294.256   8.7237      ?      ? 
1 1 1   12   22   10 o  403.650   6.9994  440.846   15.267   0.0000   0.0000  440.846   15.267  ?   ?   403.650   6.9994      ?      ? 
1 1 1   12   22   11 o  272.824   7.1143  201.413   10.488   0.0000   0.0000  201.413   10.488  ?   ?   272.824   7.1143      ?      ? 
1 1 1   12   22   12 o  184.897   9.2273   92.618   9.2192   0.0000   0.0000   92.618   9.2192  ?   ?   184.897   9.2273      ?      ? 
1 1 1   12   22   13 f  404.931   9.0925  444.268   19.895   0.0000   0.0000  444.268   19.895  ?   ?   404.931   9.0925      ?      ? 
1 1 1   12   22   16 o  318.848   8.9139  275.586   15.358   0.0000   0.0000  275.586   15.358  ?   ?   318.848   8.9139      ?      ? 
1 1 1   12   22   17 o  217.034   9.1215  127.729   10.698   0.0000   0.0000  127.729   10.698  ?   ?   217.034   9.1215      ?      ? 
1 1 1   12   22   18 o  206.999   9.7556  116.278   10.912   0.0000   0.0000  116.278   10.912  ?   ?   206.999   9.7556      ?      ? 
1 1 1   12   22   20 o  157.835   10.219   67.685   8.7157   0.0000   0.0000   67.685   8.7157  ?   ?   157.835   10.219      ?      ? 
1 1 1   12   22   21 o   71.604   26.050   12.151   13.052   0.0000   0.0000   12.151   13.052  ?   ?    71.604   26.050      ?      ? 
1 1 1   12   22   22 o  168.441   10.558   74.500   9.2734  109.257   14.701   51.530   11.951  199.915   13.609  136.968   16.147 62.94699 21.11699 
1 1 1   12   22   23 o   70.471   14.517   15.362   5.9942   4.5135   12.045   18.933   6.9107   59.297   24.070   81.645   16.236 -22.34764 29.03398 
1 1 1   12   22   24 o  175.229   8.3207   81.068   6.6977   88.851   14.050   78.779   7.6192  180.091   14.437  170.366   8.2763 9.725128 16.64130 
1 1 1   12   22   25 o   99.794   13.486   28.215   7.1091   25.648   10.183   30.656   9.9295   94.246   20.572  105.342   17.444 -11.09579 26.97217 
1 1 1   12   22   26 o  250.104   6.8976  170.296   9.3069  157.600   13.023  183.548   13.305  240.526   10.020  259.683   9.4818 -19.15715 13.79513 
1 1 1   12   22   27 o  266.187   9.4653  192.992   13.615   0.0000   0.0000  192.992   13.615  ?   ?   266.187   9.4653      ?      ? 
1 1 1   12   22   28 o  247.787   6.9439  167.644   9.2832  158.253   13.201  176.831   13.057  240.837   10.144  254.737   9.4856 -13.89995 13.88784 
1 1 1   12   22   29 o  332.139   6.5896  301.095   11.808  290.033   16.976  311.463   16.435  326.122   9.6333  338.155   8.9940 -12.03391 13.17923 
1 1 1   12   22   30 o  188.234   10.713   96.916   10.896   0.0000   0.0000   96.916   10.896  ?   ?   188.234   10.713      ?      ? 
1 1 1   12   22   31 o  324.388   8.9605  287.076   15.707   0.0000   0.0000  287.076   15.707  ?   ?   324.388   8.9605      ?      ? 
1 1 1   12   22   32 f  147.816   9.1389   61.426   7.1602   52.293   10.657   68.943   9.6673  137.238   14.370  158.395   11.295 -21.15636 18.27781 
1 1 1   12   22   33 f   63.009   14.922   9.0124   6.5933   18.392   9.7471   1.1005   8.9522   78.618   22.050   47.400   20.112 31.21796 29.84453 
1 1 1   12   22   34 o  245.320   6.8392  165.724   9.0181  151.027   13.008  179.326   12.514  234.580   10.262  256.060   9.0439 -21.48038 13.67836 
1 1 1   12   22   35 o  220.813   9.3187  133.649   11.119   0.0000   0.0000  133.649   11.119  ?   ?   220.813   9.3187      ?      ? 
1 1 1   12   22   36 f  129.113   16.288   65.526   8.3101   27.230   18.085   75.777   9.3564   92.409   30.857  165.816   10.442 -73.40748 32.57576 
1 1 1   12   22   37 o  244.414   9.8184  182.294   10.808  138.491   20.929  198.224   12.621  219.916   17.611  268.912   8.6855 -48.99644 19.63675 
1 1 1   12   22   38 o   93.797   14.626   26.764   7.1962   26.636   9.7916   26.914   10.612   93.893   19.916   93.701   21.425 0.1920319 29.25173 
1 1 1   12   22   39 o  111.939   10.830   35.084   6.4870   39.613   10.069   31.870   8.4820  117.836   15.813  106.041   14.803 11.79502 21.65994 
1 1 1   12   22   40 o  158.955   10.546   70.081   9.0585   0.0000   0.0000   70.081   9.0585  ?   ?   158.955   10.546      ?      ? 
1 1 1   12   22   41 f   79.728   13.890   19.953   5.9602   16.578   9.1502   22.440   7.8552   72.951   21.648   86.505   17.407 -13.55328 27.77902 
1 1 1   12   22   42 o   69.862   14.134   14.159   5.8454   22.208   8.9739   8.2267   7.7040   84.584   19.956   55.140   20.021 29.44452 28.26815 
1 1 1   12   22   43 o  170.066   7.6466   80.677   6.9524   82.244   10.671   79.522   9.1647  171.097   11.542  169.034   10.034 2.062927 15.29311 
1 1 1   12   22   44 o   91.648   12.518   24.146   6.0009   35.309   9.4585   16.625   7.7634  110.209   15.882   73.087   19.352 37.12160 25.03513 
1 1 1   12   22   45 o  185.514   7.3932   98.173   7.2658   82.877   10.771  110.945   9.8423  171.212   11.642  199.817   9.1154 -28.60487 14.78637 
1 1 1   12   22   46 o   64.140   14.843   13.007   5.8928   11.872   9.4576   13.727   7.5340   62.372   22.241   65.908   19.663 -3.536354 29.68666 
1 1 1   12   22   47 o   40.389   12.275  -3.7859   5.8373 -18.9625   9.0685   6.9513   7.6277   29.667   14.730   51.111   19.640 -21.44453 24.54996 
1 1 1   12   22   48 o   90.797   13.444   26.369   6.2864   26.127   9.8860   26.533   8.1452   88.976   20.915   92.618   16.898 -3.641457 26.88782 
1 1 1   12   22   49 o   97.094   19.694   30.157   9.9794   30.157   9.9794   0.0000   0.0000   97.094   19.694  ?   ?       ?      ? 
1 1 1   12   22   50 o  133.824   9.7371   54.617   6.8458   44.666   10.170   62.864   9.2576  120.605   15.604  147.042   11.651 -26.43737 19.47423 
1 1 1   12   22   51 o   83.983   14.241   24.067   6.2990   27.477   9.8918   21.742   8.1695   88.160   21.054   79.807   19.181 8.353607 28.48154 
1 1 1   12   22   52 o  149.064   9.4906   69.739   7.1934   49.961   10.861   85.194   9.6010  126.259   15.919  171.870   10.338 -45.61122 18.98128 
1 1 1   12   23    0 o  770.922   13.916  1624.61   57.970  1633.78   82.235  1615.54   81.732  773.083   19.685  768.760   19.675 4.323669 27.83200 
1 1 1   12   23    1 o  226.183   12.834  138.919   15.686  138.919   15.686   0.0000   0.0000  226.183   12.834  ?   ?       ?      ? 
1 1 1   12   23    2 o  508.052   14.295  701.802   39.243  701.802   39.243   0.0000   0.0000  508.052   14.295  ?   ?       ?      ? 
1 1 1   12   23    3 o  597.763   16.002  973.198   51.687   0.0000   0.0000  973.198   51.687  ?   ?   597.763   16.002      ?      ? 
1 1 1   12   23    4 o  427.759   13.017  497.072   30.088   0.0000   0.0000  497.072   30.088  ?   ?   427.759   13.017      ?      ? 
1 1 1   12   23    5 o  392.519   8.8183  417.501   18.683  440.090   27.191  397.297   25.715  402.551   12.500  382.488   12.442 20.06259 17.63669 
1 1 1   12   23    6 o  216.734   10.532  127.399   12.335   0.0000   0.0000  127.399   12.335  ?   ?   216.734   10.532      ?      ? 
1 1 1   12   23    7 o  102.159   19.114   29.461   10.164   0.0000   0.0000   29.461   10.164  ?   ?   102.159   19.114      ?      ? 
1 1 1   12   23    8 o  128.126   14.677   44.710   10.161   0.0000   0.0000   44.710   10.161  ?   ?   128.126   14.677      ?      ? 
1 1 1   12   23    9 f   94.544   19.856   25.411   9.8214   0.0000   0.0000   25.411   9.8214  ?   ?    94.544   19.856      ?      ? 
1 1 1   12   23   10 o  248.000   9.8544  166.826   13.206   0.0000   0.0000  166.826   13.206  ?   ?   248.000   9.8544      ?      ? 
1 1 1   12   23   13 o  431.878   8.3278  505.521   19.435   0.0000   0.0000  505.521   19.435  ?   ?   431.878   8.3278      ?      ? 
1 1 1   12   23   14 o   86.836   18.897   21.494   8.6151   0.0000   0.0000   21.494   8.6151  ?   ?    86.836   18.897      ?      ? 
1 1 1   12   23   15 o  246.336   7.3496  164.393   9.7832   0.0000   0.0000  164.393   9.7832  ?   ?   246.336   7.3496      ?      ? 
1 1 1   12   23   16 f  329.332   8.2943  294.121   14.760   0.0000   0.0000  294.121   14.760  ?   ?   329.332   8.2943      ?      ? 
1 1 1   12   23   17 o  138.711   9.6575   52.269   7.2388   0.0000   0.0000   52.269   7.2388  ?   ?   138.711   9.6575      ?      ? 
1 1 1   12   23   18 o  150.052   9.0641   61.148   7.3495   0.0000   0.0000   61.148   7.3495  ?   ?   150.052   9.0641      ?      ? 
1 1 1   12   23   19 o  160.561   8.7898   69.998   7.6261   0.0000   0.0000   69.998   7.6261  ?   ?   160.561   8.7898      ?      ? 
1 1 1   12   23   20 o  364.912   7.2840  361.011   14.363   0.0000   0.0000  361.011   14.363  ?   ?   364.912   7.2840      ?      ? 
1 1 1   12   23   21 o  206.509   10.057  116.017   11.223   0.0000   0.0000  116.017   11.223  ?   ?   206.509   10.057      ?      ? 
1 1 1   12   23   22 o  159.822   8.6602   69.399   7.4791   0.0000   0.0000   69.399   7.4791  ?   ?   159.822   8.6602      ?      ? 
1 1 1   12   23   23 o   99.193   13.385   28.184   5.9117   27.252   12.333   28.462   6.7361   96.374   23.818  102.012   12.220 -5.637817 26.77008 
1 1 1   12   23   24 f  213.053   7.6868  128.770   7.7010  113.919   14.766  134.320   9.0258  203.700   13.414  222.405   7.5102 -18.70480 15.37359 
1 1 1   12   23   25 o  126.768   13.431   50.182   8.0823   27.297   12.231   67.922   10.768   96.172   23.691  157.363   12.664 -61.19115 26.86281 
1 1 1   12   23   26 o  228.321   7.2705  142.437   8.9038  120.715   12.386  165.667   12.809  210.143   10.907  246.499   9.6161 -36.35579 14.54097 
1 1 1   12   23   27 f  280.041   9.3258  213.806   14.112   0.0000   0.0000  213.806   14.112  ?   ?   280.041   9.3258      ?      ? 
1 1 1   12   23   28 o  108.670   12.529   33.828   7.0268   25.490   9.8195   42.578   10.059   93.386   20.058  123.953   15.019 -30.56664 25.05720 
1 1 1   12   23   29 o  244.870   9.6588  163.938   12.780   0.0000   0.0000  163.938   12.780  ?   ?   244.870   9.6588      ?      ? 
1 1 1   12   23   30 o  117.083   11.421   38.445   7.1964   34.550   10.172   42.349   10.183  110.922   16.971  123.244   15.290 -12.32285 22.84263 
1 1 1   12   23   31 o  174.126   8.3091   83.647   7.7951   82.053   11.406   85.043   10.678  172.423   12.242  175.828   11.238 -3.404419 16.61830 
1 1 1   12   23   32 o   88.886   14.011   22.937   6.8596   33.222   10.026   13.887   9.4053  108.479   17.105   69.294   22.197 39.18476 28.02276 
1 1 1   12   23   33 o   67.388   12.865   7.9223   6.6706   28.579   9.7847 -10.0144   9.1179   98.405   19.090   36.371   17.252 62.03389 25.73044 
1 1 1   12   23   34 o   98.848   12.940   27.922   6.7115   35.235   10.205   22.347   8.9096  111.272   16.972   86.424   19.537 24.84780 25.87936 
1 1 1   12   23   35 o   47.241   13.859  -2.1183   6.4690   9.1957   9.6858 -11.2294   8.6918   60.302   22.357   34.181   16.386 26.12134 27.71894 
1 1 1   12   23   36 o  175.742   10.523   85.435   9.9935   0.0000   0.0000   85.435   9.9935  ?   ?   175.742   10.523      ?      ? 
1 1 1   12   23   37 o  105.829   16.708   30.018   7.5299   43.153   18.320   27.348   8.2599  113.679   29.550   97.979   15.601 15.70063 33.41566 
1 1 1   12   23   38 o  122.108   12.866   43.397   7.8359   26.672   10.447   64.910   11.848   92.940   21.263  151.277   14.494 -58.33641 25.73289 
1 1 1   12   23   39 o   47.933   13.835  -1.5852   6.8111   10.639   9.2802 -15.8581   10.028   61.459   22.019   34.407   16.758 27.05180 27.67056 
1 1 1   12   23   40 o  100.508   11.729   29.129   6.3288   31.556   9.6342   27.286   8.3940  103.911   17.158   97.106   15.997 6.804283 23.45846 
1 1 1   12   23   41 o   77.813   14.681   18.758   6.2349   21.837   9.6430   16.546   8.1731   82.917   21.383   72.709   20.121 10.20792 29.36106 
1 1 1   12   23   42 o  205.874   7.2213  119.367   7.9333  101.706   11.474  135.541   10.981  190.530   11.145  221.218   9.1860 -30.68813 14.44250 
1 1 1   12   23   43 o  163.760   8.1644   76.126   7.1589   71.182   10.633   80.225   9.6819  158.316   12.430  169.204   10.589 -10.88826 16.32874 
1 1 1   12   23   44 o  212.036   9.3284  125.187   10.688   0.0000   0.0000  125.187   10.688  ?   ?   212.036   9.3284      ?      ? 
1 1 1   12   23   45 o  134.855   9.4091   52.913   6.6936   50.999   10.533   54.210   8.6692  131.743   14.796  137.968   11.628 -6.224548 18.81821 
1 1 1   12   23   46 o   50.977   14.089   2.5642   6.2002   14.854   9.8301  -5.5553   7.9900   66.433   22.747   35.520   16.630 30.91272 28.17781 
1 1 1   12   23   47 o   72.980   14.101   18.159   6.6385   5.3177   10.282   27.337   8.6931   52.360   21.842   93.601   17.838 -41.24126 28.20108 
1 1 1   12   23   48 o   94.833   13.396   29.169   6.6497   24.226   9.9619   33.141   8.9305   84.620   21.687  105.046   15.733 -20.42562 26.79248 
1 1 1   12   23   49 o  203.346   7.4374  121.566   8.0400  102.011   11.664  139.267   11.097  186.026   11.604  220.666   9.3067 -34.64081 14.87489 
1 1 1   12   23   50 o  171.395   8.0563   84.918   7.3941   88.174   11.310   82.487   9.7719  173.533   12.061  169.258   10.684 4.275848 16.11255 
1 1 1   12   23   51 o  144.073   9.2035   63.194   7.0411   60.424   10.806   65.238   9.2822  139.684   14.316  148.462   11.570 -8.778229 18.40705 
1 1 1   12   24    0 o  512.963   16.272  718.919   45.105   0.0000   0.0000  718.919   45.105  ?   ?   512.963   16.272      ?      ? 
1 1 1   12   24    1 o  289.410   9.9394  226.779   13.771  225.136   16.075  231.306   26.690  288.010   10.329  290.810   16.984 -2.799683 19.87873 
1 1 1   12   24    2 o  163.045   18.319   85.887   11.109   59.932   26.289   91.529   12.257  142.635   34.488  183.454   12.364 -40.81929 36.63729 
1 1 1   12   24    3 o  110.467   13.758   33.241   8.2126   0.0000   0.0000   33.241   8.2126  ?   ?   110.467   13.758      ?      ? 
1 1 1   12   24    4 o  460.848   8.2684  577.976   19.556  575.000   33.303  579.542   24.160  459.506   13.412  462.189   9.6735 -2.683746 16.53673 
1 1 1   12   24    5 o   82.315   18.479   19.304   8.0178   0.0000   0.0000   19.304   8.0178  ?   ?    82.315   18.479      ?      ? 
1 1 1   12   24    6 o  485.217   8.4827  638.202   22.241   0.0000   0.0000  638.202   22.241  ?   ?   485.217   8.4827      ?      ? 
1 1 1   12   24    7 o  299.536   7.6852  243.084   12.439   0.0000   0.0000  243.084   12.439  ?   ?   299.536   7.6852      ?      ? 
1 1 1   12   24    8 o  283.659   7.0073  217.910   10.741   0.0000   0.0000  217.910   10.741  ?   ?   283.659   7.0073      ?      ? 
1 1 1   12   24    9 o   66.769   18.617   12.610   6.9694   0.0000   0.0000   12.610   6.9694  ?   ?    66.769   18.617      ?      ? 
1 1 1   12   24   10 o  129.681   10.859   45.718   7.6092   0.0000   0.0000   45.718   7.6092  ?   ?   129.681   10.859      ?      ? 
1 1 1   12   24   11 o   87.140   16.276   21.464   7.3822   0.0000   0.0000   21.464   7.3822  ?   ?    87.140   16.276      ?      ? 
1 1 1   12   24   12 o  283.874   8.2630  218.602   12.675   0.0000   0.0000  218.602   12.675  ?   ?   283.874   8.2630      ?      ? 
1 1 1   12   24   13 o  102.151   13.054   28.492   7.2057   0.0000   0.0000   28.492   7.2057  ?   ?   102.151   13.054      ?      ? 
1 1 1   12   24   14 o  194.689   8.0146  102.831   8.4317   0.0000   0.0000  102.831   8.4317  ?   ?   194.689   8.0146      ?      ? 
1 1 1   12   24   15 o  427.025   11.068  496.542   25.540   0.0000   0.0000  496.542   25.540  ?   ?   427.025   11.068      ?      ? 
1 1 1   12   24   16 o  222.355   7.3934  134.057   8.8834   0.0000   0.0000  134.057   8.8834  ?   ?   222.355   7.3934      ?      ? 
1 1 1   12   24   17 o  293.435   8.5243  233.788   13.516   0.0000   0.0000  233.788   13.516  ?   ?   293.435   8.5243      ?      ? 
1 1 1   12   24   18 o   60.803   18.682   10.275   6.7309   0.0000   0.0000   10.275   6.7309  ?   ?    60.803   18.682      ?      ? 
1 1 1   12   24   19 o  300.103   11.373  245.830   18.443   0.0000   0.0000  245.830   18.443  ?   ?   300.103   11.373      ?      ? 
1 1 1   12   24   20 o  129.014   10.238   45.377   7.1372   0.0000   0.0000   45.377   7.1372  ?   ?   129.014   10.238      ?      ? 
1 1 1   12   24   21 o   70.748   17.132   14.425   6.4798   0.0000   0.0000   14.425   6.4798  ?   ?    70.748   17.132      ?      ? 
1 1 1   12   24   22 o  291.951   11.260  233.081   17.764   0.0000   0.0000  233.081   17.764  ?   ?   291.951   11.260      ?      ? 
1 1 1   12   24   23 o  350.714   8.6452  334.793   16.384   0.0000   0.0000  334.793   16.384  ?   ?   350.714   8.6452      ?      ? 
1 1 1   12   24   24 o  268.751   7.1021  197.534   9.1068  196.464   17.625  197.924   10.637  267.592   12.189  269.910   7.2929 -2.317627 14.20412 
1 1 1   12   24   25 o   93.519   13.971   22.963   5.9890   30.878   12.574   20.641   6.8111  101.975   23.326   85.064   15.384 16.91157 27.94211 
1 1 1   12   24   26 o  123.396   11.958   42.243   7.9306   48.806   11.801   36.837   10.710  132.158   16.525  114.635   17.289 17.52355 23.91593 
1 1 1   12   24   27 o  167.148   8.5959   76.814   7.7551   81.413   11.275   72.685   10.683  171.889   12.139  162.406   12.174 9.483856 17.19176 
1 1 1   12   24   28 o  202.192   8.0003  113.194   8.5674   86.390   11.923  141.806   12.319  176.889   12.474  227.495   10.021 -50.60646 16.00063 
1 1 1   12   24   29 o   49.279   14.373  -0.2342   6.7749   8.6041   9.7224  -8.5768   9.4458   60.029   22.371   38.529   18.053 21.50040 28.74646 
1 1 1   12   24   30 o   87.590   14.965   23.029   7.0037   23.292   9.8041   22.754   10.008   88.186   20.895   86.994   21.431 1.191933 29.93080 
1 1 1   12   24   31 o  146.019   9.5106   59.827   7.4536   53.722   10.753   65.473   10.341  138.481   14.370  153.557   12.463 -15.07515 19.02127 
1 1 1   12   24   32 o  107.025   12.634   33.555   7.0293   27.424   10.014   39.511   9.8696   95.724   20.004  118.325   15.436 -22.60052 25.26723 
1 1 1   12   24   33 o  160.473   8.8495   72.115   7.5682   58.117   10.591   86.720   10.819  144.032   13.608  176.914   11.317 -32.88255 17.69893 
1 1 1   12   24   34 o  207.749   9.9530  119.135   11.173   0.0000   0.0000  119.135   11.173  ?   ?   207.749   9.9530      ?      ? 
1 1 1   12   24   35 o  135.057   10.236   53.428   7.0803   35.320   10.150   70.589   9.8810  110.817   16.951  159.297   11.479 -48.48037 20.47183 
1 1 1   12   24   36 o   56.913   14.648   7.3670   6.4796  -1.0401   9.7042   14.131   8.7042   45.595   20.123   68.231   21.291 -22.63642 29.29609 
1 1 1   12   24   37 o  190.862   12.404  123.986   9.9043   73.716   19.209  142.191   11.559  154.922   22.945  226.801   9.4320 -71.87859 24.80826 
1 1 1   12   24   38 o  103.320   17.855   30.133   8.1410   44.572   19.127   26.938   8.9967  112.330   30.655   94.310   18.314 18.02079 35.70917 
1 1 1   12   24   39 o   80.825   16.394   21.263   7.5104   22.203   9.8438   19.955   11.618   83.494   21.640   78.156   24.632 5.338287 32.78746 
1 1 1   12   24   40 o   70.722   14.739   14.839   6.4508   23.613   9.5242   7.4035   8.7681   86.676   20.632   54.768   21.054 31.90770 29.47858 
1 1 1   12   24   41 o  188.700   10.273   99.501   10.475   0.0000   0.0000   99.501   10.475  ?   ?   188.700   10.273      ?      ? 
1 1 1   12   24   42 o   82.766   14.599   22.648   6.6872   15.911   9.9886   28.121   9.0024   69.989   22.912   95.542   18.100 -25.55283 29.19876 
1 1 1   12   24   43 o  134.800   12.705   52.105   9.2549   0.0000   0.0000   52.105   9.2549  ?   ?   134.800   12.705      ?      ? 
1 1 1   12   24   44 f  106.328   12.450   34.141   6.9036   43.048   10.769   27.927   8.9950  118.940   16.756   93.716   18.419 25.22388 24.90022 
1 1 1   12   24   45 o   33.662   11.367 -12.9722   6.3372 -29.2761   10.048  -2.2051   8.1659   27.930   14.095   39.393   17.839 -11.46338 22.73477 
1 1 1   12   24   46 o  151.294   9.5648   68.634   7.4984   50.240   10.987   84.670   10.259  129.871   15.656  172.718   10.992 -42.84669 19.12955 
1 1 1   12   24   47 o   77.257   15.145   20.923   6.6132   27.587   10.086   15.897   8.7589   88.095   21.399   66.418   21.436 21.67686 30.28906 
1 1 1   12   24   48 o   60.084   15.433   12.550   6.4592   13.325   9.5229   11.890   8.7904   61.334   22.261   58.834   21.382 2.500469 30.86683 
1 1 1   12   24   49 o  191.593   7.6478  107.455   7.8321   92.537   11.245  121.508   10.915  177.391   11.731  205.794   9.8149 -28.40370 15.29566 
1 1 1   12   25    0 o  266.501   18.193  195.540   26.200   0.0000   0.0000  195.540   26.200  ?   ?   266.501   18.193      ?      ? 
1 1 1   12   25    1 o  187.695   19.428  127.185   12.345   67.095   29.895  139.539   13.555  148.936   37.243  226.453   11.077 -77.51633 38.85576 
1 1 1   12   25    2 o  448.785   9.6892  547.183   23.497   0.0000   0.0000  547.183   23.497  ?   ?   448.785   9.6892      ?      ? 
1 1 1   12   25    3 o  371.223   7.2983  377.676   13.447  367.117   24.259  382.359   16.156  366.970   12.233  375.476   7.9628 -8.505371 14.59666 
1 1 1   12   25    4 o  164.595   8.9366   77.444   7.3559   63.739   12.452   84.790   9.1166  152.532   15.108  176.658   9.5501 -24.12637 17.87328 
1 1 1   12   25    5 o   48.436   18.797   4.1866   7.0395   0.0000   0.0000   4.1866   7.0395  ?   ?    48.436   18.797      ?      ? 
1 1 1   12   25    6 o  158.508   9.9870   68.312   8.5541   0.0000   0.0000   68.312   8.5541  ?   ?   158.508   9.9870      ?      ? 
1 1 1   12   25    7 o  221.314   7.8650  132.860   9.4059   0.0000   0.0000  132.860   9.4059  ?   ?   221.314   7.8650      ?      ? 
1 1 1   12   25    8 f  241.049   13.471  158.815   17.546   0.0000   0.0000  158.815   17.546  ?   ?   241.049   13.471      ?      ? 
1 1 1   12   25    9 o  225.239   7.6947  137.591   9.3654   0.0000   0.0000  137.591   9.3654  ?   ?   225.239   7.6947      ?      ? 
1 1 1   12   25   10 o   88.056   16.954   22.025   7.7742   0.0000   0.0000   22.025   7.7742  ?   ?    88.056   16.954      ?      ? 
1 1 1   12   25   11 f  262.598   8.6718  187.242   12.305   0.0000   0.0000  187.242   12.305  ?   ?   262.598   8.6718      ?      ? 
1 1 1   12   25   12 o  193.928   8.7824  102.153   9.2033   0.0000   0.0000  102.153   9.2033  ?   ?   193.928   8.7824      ?      ? 
1 1 1   12   25   13 o  205.180   8.0143  114.279   8.8857   0.0000   0.0000  114.279   8.8857  ?   ?   205.180   8.0143      ?      ? 
1 1 1   12   25   14 o  330.575   6.9667  296.370   12.445   0.0000   0.0000  296.370   12.445  ?   ?   330.575   6.9667      ?      ? 
1 1 1   12   25   15 o  101.627   13.750   28.342   7.5509   0.0000   0.0000   28.342   7.5509  ?   ?   101.627   13.750      ?      ? 
1 1 1   12   25   16 o  123.465   11.376   41.655   7.5894   0.0000   0.0000   41.655   7.5894  ?   ?   123.465   11.376      ?      ? 
1 1 1   12   25   17 o  375.649   11.053  385.562   22.437   0.0000   0.0000  385.562   22.437  ?   ?   375.649   11.053      ?      ? 
1 1 1   12   25   18 o   93.377   14.239   24.013   7.1849   0.0000   0.0000   24.013   7.1849  ?   ?    93.377   14.239      ?      ? 
1 1 1   12   25   19 o  172.313   8.6326   80.810   8.0379   0.0000   0.0000   80.810   8.0379  ?   ?   172.313   8.6326      ?      ? 
1 1 1   12   25   20 o   98.582   13.008   26.712   6.9293   0.0000   0.0000   26.712   6.9293  ?   ?    98.582   13.008      ?      ? 
1 1 1   12   25   21 o  214.517   7.2239  125.032   8.3738   0.0000   0.0000  125.032   8.3738  ?   ?   214.517   7.2239      ?      ? 
1 1 1   12   25   22 o  184.762   8.7005   93.050   8.6865   0.0000   0.0000   93.050   8.6865  ?   ?   184.762   8.7005      ?      ? 
1 1 1   12   25   23 o  143.850   9.4233   56.545   7.3249   0.0000   0.0000   56.545   7.3249  ?   ?   143.850   9.4233      ?      ? 
1 1 1   12   25   24 o  223.343   7.2866  133.519   7.8488  143.874   15.220  129.768   9.1608  228.419   12.331  218.266   7.7671 10.15265 14.57327 
1 1 1   12   25   25 o  246.254   7.4358  163.650   9.2748  174.302   16.468  158.702   11.224  251.405   12.122  241.103   8.6153 10.30159 14.87154 
1 1 1   12   25   26 o  158.628   8.5325   66.322   6.6278   76.959   12.730   62.366   7.7630  166.330   14.164  150.926   9.5187 15.40419 17.06503 
1 1 1   12   25   27 o   69.131   15.350   11.962   7.8702  -4.4324   11.974   24.430   10.442   48.134   21.717   90.129   21.701 -41.99536 30.70092 
1 1 1   12   25   28 o  170.038   8.8616   80.216   8.1362   81.227   11.765   79.289   11.264  170.992   12.732  169.084   12.329 1.907837 17.72314 
1 1 1   12   25   29 o  244.695   7.1586  164.529   9.4175  142.983   13.014  188.215   13.645  227.699   10.577  261.690   9.6495 -33.99072 14.31725 
1 1 1   12   25   30 o  183.014   8.1239   92.869   8.0253   88.276   11.378   97.417   11.322  178.380   11.804  187.647   11.165 -9.266235 16.24789 
1 1 1   12   25   31 o   48.216   14.023  -0.7513   6.7063   9.4324   9.3371 -11.6028   9.6384   60.066   22.006   36.366   17.386 23.69954 28.04511 
1 1 1   12   25   32 o   62.648   15.169   9.4290   6.8922   0.6801   9.6077   18.704   9.8925   47.531   20.513   77.764   22.353 -30.23296 30.33831 
1 1 1   12   25   33 o   67.218   15.907   13.350   6.8123   12.065   9.5836   14.662   9.6855   64.747   22.445   69.688   22.546 -4.940933 31.81355 
1 1 1   12   25   34 o   73.589   15.599   16.633   6.9746   10.725   9.9340   22.376   9.7945   62.374   22.721   84.804   21.379 -22.42990 31.19838 
1 1 1   12   25   35 o  111.968   12.485   36.845   7.2715   45.561   10.687   29.332   9.9225  125.820   15.719   98.116   19.403 27.70436 24.97066 
1 1 1   12   25   36 o  165.567   8.7740   76.457   7.8049   88.386   11.700   66.893   10.476  177.183   12.220  153.950   12.593 23.23334 17.54803 
1 1 1   12   25   37 o  146.690   9.4626   61.180   7.4350   61.725   11.290   60.762   9.8801  146.778   14.234  146.602   12.472 0.1755676 18.92527 
1 1 1   12   25   38 o   87.869   13.253   33.298   8.4726 -29.6847   19.743   47.515   9.3802   46.548   22.848  129.189   13.437 -82.64089 26.50604 
1 1 1   12   25   39 o   96.261   14.161   31.373   7.3140   15.890   11.138   43.109   9.6976   70.438   24.209  122.084   14.700 -51.64601 28.32296 
1 1 1   12   25   40 o   98.654   15.245   30.373   7.8970   22.590   10.311   41.419   12.283   82.808   22.470  114.499   20.610 -31.69125 30.49007 
1 1 1   12   25   41 o   66.448   15.352   14.107   6.7583   7.5625   10.018   19.572   9.1552   55.559   22.160   77.337   21.252 -21.77852 30.70366 
1 1 1   12   25   42 o   67.500   15.274   14.917   6.9833   5.9913   10.191   22.818   9.5878   52.648   21.836   82.352   21.363 -29.70342 30.54816 
1 1 1   12   25   43 o  213.467   10.113  128.427   11.665   0.0000   0.0000  128.427   11.665  ?   ?   213.467   10.113      ?      ? 
1 1 1   12   25   44 o   71.060   15.323   14.848   7.1352   27.942   10.902   5.0353   9.4374   91.323   22.288   50.797   21.036 40.52620 30.64682 
1 1 1   12   25   45 o   69.371   15.844   17.459   6.9203   13.880   10.483   20.224   9.2128   62.970   23.277   75.772   21.503 -12.80217 31.68859 
1 1 1   12   25   46 o  167.260   11.455   82.045   10.353   0.0000   0.0000   82.045   10.353  ?   ?   167.260   11.455      ?      ? 
1 1 1   12   25   47 o   56.993   15.067   10.725   6.4670   6.5229   9.9351   13.815   8.5188   51.286   21.439   62.700   21.177 -11.41440 30.13437 
1 1 1   12   25   48 o   71.346   15.577   19.218   6.5735   23.485   10.140   16.125   8.6335   77.450   22.737   65.241   21.299 12.20830 31.15463 
1 1 1   12   26    0 o  101.115   22.359   17.253   9.9509   54.775   28.720   12.134   10.608  133.748   37.969   68.482   23.621 65.26550 44.71715 
1 1 1   12   26    1 o  333.869   17.623  307.658   31.795  307.658   31.795   0.0000   0.0000  333.869   17.623  ?   ?       ?      ? 
1 1 1   12   26    2 f  162.575   8.7966   70.685   7.3480   77.005   12.743   67.537   8.9939  167.662   14.065  157.488   10.569 10.17427 17.59314 
1 1 1   12   26    3 o  297.499   7.3628  240.731   11.402  241.892   18.863  240.063   14.312  297.758   11.724  297.240   8.9106 0.5178223 14.72555 
1 1 1   12   26    4 o   93.443   14.712   23.963   7.4284   0.0000   0.0000   23.963   7.4284  ?   ?    93.443   14.712      ?      ? 
1 1 1   12   26    5 o  265.864   8.9840  192.122   12.907   0.0000   0.0000  192.122   12.907  ?   ?   265.864   8.9840      ?      ? 
1 1 1   12   26    6 o  117.871   11.723   37.933   7.4667   0.0000   0.0000   37.933   7.4667  ?   ?   117.871   11.723      ?      ? 
1 1 1   12   26    7 o  185.172   8.5392   93.176   8.5444   0.0000   0.0000   93.176   8.5444  ?   ?   185.172   8.5392      ?      ? 
1 1 1   12   26    8 o  174.285   8.9432   82.607   8.4225   0.0000   0.0000   82.607   8.4225  ?   ?   174.285   8.9432      ?      ? 
1 1 1   12   26    9 o   93.365   14.976   24.002   7.5557   0.0000   0.0000   24.002   7.5557  ?   ?    93.365   14.976      ?      ? 
1 1 1   12   26   10 o  252.594   8.7415  173.552   11.932   0.0000   0.0000  173.552   11.932  ?   ?   252.594   8.7415      ?      ? 
1 1 1   12   26   11 o  268.922   7.2443  196.331   10.527   0.0000   0.0000  196.331   10.527  ?   ?   268.922   7.2443      ?      ? 
1 1 1   12   26   12 o  172.766   9.0204   81.260   8.4211   0.0000   0.0000   81.260   8.4211  ?   ?   172.766   9.0204      ?      ? 
1 1 1   12   26   13 o  104.045   13.289   29.743   7.4717   0.0000   0.0000   29.743   7.4717  ?   ?   104.045   13.289      ?      ? 
1 1 1   12   26   14 f  277.250   8.6753  209.216   12.997   0.0000   0.0000  209.216   12.997  ?   ?   277.250   8.6753      ?      ? 
1 1 1   12   26   15 o   66.020   18.775   12.521   7.0161   0.0000   0.0000   12.521   7.0161  ?   ?    66.020   18.775      ?      ? 
1 1 1   12   26   16 o  321.724   11.984  283.854   20.835   0.0000   0.0000  283.854   20.835  ?   ?   321.724   11.984      ?      ? 
1 1 1   12   26   17 o  143.017   9.8021   55.847   7.5752   0.0000   0.0000   55.847   7.5752  ?   ?   143.017   9.8021      ?      ? 
1 1 1   12   26   18 o  324.944   8.5129  287.725   14.948   0.0000   0.0000  287.725   14.948  ?   ?   324.944   8.5129      ?      ? 
1 1 1   12   26   19 o  242.325   7.9711  159.940   10.438   0.0000   0.0000  159.940   10.438  ?   ?   242.325   7.9711      ?      ? 
1 1 1   12   26   20 o   61.521   22.293   9.4943   9.5446   0.0000   0.0000   9.4943   9.5446  ?   ?    61.521   22.293      ?      ? 
1 1 1   12   26   21 o  154.426   9.3291   65.210   7.7848   0.0000   0.0000   65.210   7.7848  ?   ?   154.426   9.3291      ?      ? 
1 1 1   12   26   22 o  186.964   7.9141   95.296   7.9955   0.0000   0.0000   95.296   7.9955  ?   ?   186.964   7.9141      ?      ? 
1 1 1   12   26   23 o  138.527   9.9769   52.625   7.4682   0.0000   0.0000   52.625   7.4682  ?   ?   138.527   9.9769      ?      ? 
1 1 1   12   26   24 o  132.758   9.9182   48.377   7.1151   0.0000   0.0000   48.377   7.1151  ?   ?   132.758   9.9182      ?      ? 
1 1 1   12   26   25 o  215.730   7.7293  130.256   8.5556  122.095   14.317  134.789   10.671  209.647   12.638  221.812   8.9025 -12.16495 15.45851 
1 1 1   12   26   26 o  210.753   7.8402  120.990   8.2255  127.297   15.024  118.290   9.8295  213.735   13.009  207.770   8.7551 5.965271 15.68044 
1 1 1   12   26   27 o  106.827   12.413   30.975   6.2448   38.063   12.295   28.510   7.2495  112.622   20.976  101.031   13.279 11.59139 24.82547 
1 1 1   12   26   28 o  104.245   15.107   32.541   8.1392   36.554   12.661   29.714   10.625  109.341   22.188   99.149   20.509 10.19260 30.21435 
1 1 1   12   26   29 o  209.038   7.8873  121.668   8.8711  109.504   12.587  133.671   12.504  198.322   11.746  219.755   10.530 -21.43326 15.77468 
1 1 1   12   26   30 o  106.964   13.840   34.964   7.6396   24.563   10.975   44.742   10.641   88.679   22.781  125.249   15.722 -36.56995 27.68016 
1 1 1   12   26   31 o   72.607   15.668   15.784   7.0945   22.885   10.103   8.8766   9.9646   85.748   21.766   59.466   22.544 26.28255 31.33682 
1 1 1   12   26   32 o  102.103   13.464   31.528   7.1998   25.848   10.296   36.964   10.072   91.109   21.295  113.096   16.481 -21.98661 26.92752 
1 1 1   12   26   33 o  114.664   11.941   38.078   7.3640   43.491   10.796   33.367   10.071  122.528   16.306  106.801   17.450 15.72620 23.88228 
1 1 1   12   26   34 o   91.134   14.860   26.117   7.1955   29.894   10.268   22.473   10.087   98.306   20.009   83.962   21.976 14.34441 29.72042 
1 1 1   12   26   35 f   61.910   15.075   10.050   6.8645   0.8845   9.8922   18.562   9.5334   47.562   20.670   76.258   21.950 -28.69602 30.15011 
1 1 1   12   26   36 o   55.710   15.197   7.2142   6.6957   2.7911   9.6923   11.252   9.2607   49.470   20.955   61.949   22.017 -12.47938 30.39464 
1 1 1   12   26   37 o   63.449   15.631   11.681   6.9509   5.5649   9.8414   17.769   9.8186   53.002   21.664   73.896   22.539 -20.89401 31.26200 
1 1 1   12   26   38 o   47.904   14.375  -0.8689   7.2093 -11.6481   10.337   9.3412   10.060   37.174   17.834   58.634   22.550 -21.46011 28.74942 
1 1 1   12   26   39 o  162.156   13.683   80.983   9.7569   80.788   20.644   81.039   11.071  155.848   24.514  168.464   12.162 -12.61530 27.36503 
1 1 1   12   26   40 o   97.293   16.649   32.821   8.4367   32.787   10.542   32.883   14.070  100.312   20.148   94.275   26.511 6.037247 33.29815 
1 1 1   12   26   41 o   39.170   13.350 -12.4315   8.0362 -14.0547   10.208  -9.7860   13.032   34.989   17.011   43.350   20.581 -8.360817 26.70099 
1 1 1   12   26   42 o   95.505   14.539   29.323   7.2715   34.205   10.838   25.328   9.8061  103.172   20.163   87.838   20.953 15.33436 29.07897 
1 1 1   12   26   43 o   60.783   13.724   7.5962   7.1454 -12.4369   10.406   25.467   9.8288   35.722   17.323   85.843   21.292 -50.12102 27.44889 
1 1 1   12   26   44 o   50.800   14.998   6.5640   7.0246   2.5605   10.049   10.389   9.8230   45.932   20.365   55.668   22.025 -9.736454 29.99697 
1 1 1   12   26   45 f   45.185   13.769  -0.1354   6.7672 -10.2757   9.7312   9.3607   9.4170   35.330   17.040   55.039   21.632 -19.70921 27.53704 
1 1 1   12   26   46 o   83.838   15.053   26.947   7.0321   20.374   10.688   31.963   9.3379   70.936   23.721   96.739   18.538 -25.80301 30.10590 
1 1 1   12   27    0 o  137.225   23.765   57.843   17.232   60.180   27.244   56.284   22.248  138.461   36.057  135.989   30.969 2.471115 47.53058 
1 1 1   12   27    1 o   93.309   17.241   24.889   8.3726   0.0000   0.0000   24.889   8.3726  ?   ?    93.309   17.241      ?      ? 
1 1 1   12   27    2 o  274.755   7.2448  199.945   9.6602  219.842   18.641  192.640   11.295  283.267   12.178  266.244   7.8510 17.02264 14.48967 
1 1 1   12   27    3 o  214.571   8.8388  125.321   10.248   0.0000   0.0000  125.321   10.248  ?   ?   214.571   8.8388      ?      ? 
1 1 1   12   27    4 o  119.545   12.059   39.151   7.7898   0.0000   0.0000   39.151   7.7898  ?   ?   119.545   12.059      ?      ? 
1 1 1   12   27    5 o  154.821   9.7854   65.363   8.1865   0.0000   0.0000   65.363   8.1865  ?   ?   154.821   9.7854      ?      ? 
1 1 1   12   27    6 o   54.160   19.671   6.9440   7.4379   0.0000   0.0000   6.9440   7.4379  ?   ?    54.160   19.671      ?      ? 
1 1 1   12   27    7 o   75.923   18.648   16.728   7.5949   0.0000   0.0000   16.728   7.5949  ?   ?    75.923   18.648      ?      ? 
1 1 1   12   27    8 o   58.830   19.878   9.1871   7.5059   0.0000   0.0000   9.1871   7.5059  ?   ?    58.830   19.878      ?      ? 
1 1 1   12   27    9 f  227.932   9.1349  141.575   11.251   0.0000   0.0000  141.575   11.251  ?   ?   227.932   9.1349      ?      ? 
1 1 1   12   27   10 o  132.456   10.977   48.007   7.8567   0.0000   0.0000   48.007   7.8567  ?   ?   132.456   10.977      ?      ? 
1 1 1   12   27   11 o  191.784   8.5782  100.178   8.8899   0.0000   0.0000  100.178   8.8899  ?   ?   191.784   8.5782      ?      ? 
1 1 1   12   27   12 o  114.502   12.129   36.020   7.5044   0.0000   0.0000   36.020   7.5044  ?   ?   114.502   12.129      ?      ? 
1 1 1   12   27   13 o   67.531   19.050   13.233   7.2536   0.0000   0.0000   13.233   7.2536  ?   ?    67.531   19.050      ?      ? 
1 1 1   12   27   14 o  212.288   7.8446  122.721   8.9988   0.0000   0.0000  122.721   8.9988  ?   ?   212.288   7.8446      ?      ? 
1 1 1   12   27   15 o  340.240   8.6482  315.892   15.900   0.0000   0.0000  315.892   15.900  ?   ?   340.240   8.6482      ?      ? 
1 1 1   12   27   16 o  235.479   7.5502  150.988   9.6072   0.0000   0.0000  150.988   9.6072  ?   ?   235.479   7.5502      ?      ? 
1 1 1   12   27   17 o  178.773   8.6391   87.257   8.3456   0.0000   0.0000   87.257   8.3456  ?   ?   178.773   8.6391      ?      ? 
1 1 1   12   27   18 o   58.738   22.460   7.5870   9.9445   0.0000   0.0000   7.5870   9.9445  ?   ?    58.738   22.460      ?      ? 
1 1 1   12   27   19 o   69.073   18.424   14.026   7.0036   0.0000   0.0000   14.026   7.0036  ?   ?    69.073   18.424      ?      ? 
1 1 1   12   27   20 o  200.585   7.8931  109.793   8.5552   0.0000   0.0000  109.793   8.5552  ?   ?   200.585   7.8931      ?      ? 
1 1 1   12   27   21 o  168.086   8.7560   77.346   7.9529   0.0000   0.0000   77.346   7.9529  ?   ?   168.086   8.7560      ?      ? 
1 1 1   12   27   22 o   91.498   14.623   23.504   7.2299   0.0000   0.0000   23.504   7.2299  ?   ?    91.498   14.623      ?      ? 
1 1 1   12   27   23 o   98.849   12.792   27.210   6.8327   0.0000   0.0000   27.210   6.8327  ?   ?    98.849   12.792      ?      ? 
1 1 1   12   27   24 o   61.076   18.724   10.899   6.7656   0.0000   0.0000   10.899   6.7656  ?   ?    61.076   18.724      ?      ? 
1 1 1   12   27   25 o  112.796   16.761   36.419   10.216   0.0000   0.0000   36.419   10.216  ?   ?   112.796   16.761      ?      ? 
1 1 1   12   27   26 o  133.711   11.231   54.825   6.9964   42.477   12.913   59.956   8.3240  120.232   19.875  147.189   10.466 -26.95708 22.46245 
1 1 1   12   27   27 o  147.129   9.6058   59.166   6.6509   64.595   13.383   57.386   7.6644  150.083   16.501  144.174   9.8379 5.909241 19.21154 
1 1 1   12   27   28 o   79.329   15.181   18.414   5.8848   21.288   12.445   17.586   6.6787   81.735   25.450   76.924   16.558 4.810760 30.36242 
1 1 1   12   27   29 o   63.503   16.847   10.873   7.8040   9.5811   12.007   11.818   10.269   62.614   24.480   64.392   23.152 -1.778923 33.69395 
1 1 1   12   27   30 o   77.035   15.514   17.932   7.4449   28.933   10.732   7.7241   10.337   96.361   21.187   57.708   22.669 38.65255 31.02869 
1 1 1   12   27   31 o  148.360   10.053   62.868   8.0480   58.610   11.275   67.291   11.491  143.026   14.589  153.694   13.836 -10.66733 20.10668 
1 1 1   12   27   32 o   65.400   16.095   12.852   7.0740   15.674   9.8462   9.8412   10.170   70.469   22.726   60.330   22.798 10.13930 32.19017 
1 1 1   12   27   33 o   60.830   16.008   9.8409   7.2366   14.099   10.157   5.4498   10.313   67.607   23.122   54.054   22.145 13.55294 32.01599 
1 1 1   12   27   34 o  155.745   9.5671   69.236   8.0462   71.216   11.643   67.426   11.132  157.795   13.655  153.694   13.404 4.100830 19.13424 
1 1 1   12   27   35 o   44.490   13.902  -3.1028   6.9938 -11.3376   9.8149   5.3912   9.9682   36.174   17.360   52.806   21.719 -16.63202 27.80438 
1 1 1   12   27   36 o   60.351   15.733   9.9484   7.0921   15.619   10.030   4.2787   10.029   69.377   22.972   51.324   21.504 18.05304 31.46655 
1 1 1   12   27   37 o  113.963   12.674   39.829   7.4848   31.163   10.228   49.822   10.983   98.536   19.894  129.390   15.708 -30.85458 25.34793 
1 1 1   12   27   38 o   51.730   15.024   4.5962   7.0541  -1.4520   9.8121   11.066   10.148   43.478   19.633   59.982   22.748 -16.50352 30.04886 
1 1 1   12   27   39 o   49.861   16.022  -0.6840   9.0068 -11.9775   17.948   3.1175   10.413   49.936   23.832   49.787   21.421 0.1491203 32.04422 
1 1 1   12   27   40 o   94.514   17.092   34.512   9.2050   19.399   17.628   40.177   10.793   74.059   29.440  114.969   17.374 -40.90939 34.18448 
1 1 1   12   27   41 o  101.029   15.789   35.749   8.2775   34.688   10.745   37.297   12.982  101.261   20.343  100.797   24.152 0.4648209 31.57726 
1 1 1   12   27   42 o   86.280   15.873   27.757   7.5070   30.459   10.567   25.004   10.667   91.701   21.669   80.860   23.201 10.84173 31.74644 
1 1 1   12   27   43 o   51.973   15.119   5.8274   7.1696  -0.4877   9.9698   12.591   10.318   43.532   19.712   60.415   22.931 -16.88338 30.23878 
1 1 1   12   27   44 o   90.842   15.124   30.150   7.3385   35.853   10.757   25.185   10.037  100.259   20.545   81.426   22.201 18.83330 30.24882 
1 1 1   12   28    0 o  100.386   13.183   30.510   6.4434   24.189   11.123   33.702   7.9049   90.216   22.805  110.557   13.232 -20.34071 26.36557 
1 1 1   12   28    1 o  141.550   10.926   56.478   8.2226   48.964   12.194   62.744   11.135  132.365   17.048  150.734   13.671 -18.36891 21.85248 
1 1 1   12   28    2 o  142.521   14.486   56.259   11.156   0.0000   0.0000   56.259   11.156  ?   ?   142.521   14.486      ?      ? 
1 1 1   12   28    3 o   87.907   23.451   23.054   11.346   0.0000   0.0000   23.054   11.346  ?   ?    87.907   23.451      ?      ? 
1 1 1   12   28    4 o  159.486   14.178   70.438   12.219   0.0000   0.0000   70.438   12.219  ?   ?   159.486   14.178      ?      ? 
1 1 1   12   28    5 o  151.175   14.002   63.280   11.438   0.0000   0.0000   63.280   11.438  ?   ?   151.175   14.002      ?      ? 
1 1 1   12   28    6 o  186.258   12.744   95.700   12.826   0.0000   0.0000   95.700   12.826  ?   ?   186.258   12.744      ?      ? 
1 1 1   12   28    7 o   84.597   23.707   21.416   11.272   0.0000   0.0000   21.416   11.272  ?   ?    84.597   23.707      ?      ? 
1 1 1   12   28    8 o  124.804   12.904   43.025   8.7023   0.0000   0.0000   43.025   8.7023  ?   ?   124.804   12.904      ?      ? 
1 1 1   12   28    9 o   66.644   19.795   12.881   7.6479   0.0000   0.0000   12.881   7.6479  ?   ?    66.644   19.795      ?      ? 
1 1 1   12   28   10 o  128.649   11.625   45.555   8.0817   0.0000   0.0000   45.555   8.0817  ?   ?   128.649   11.625      ?      ? 
1 1 1   12   28   11 o  201.414   8.3096  110.677   9.0439   0.0000   0.0000  110.677   9.0439  ?   ?   201.414   8.3096      ?      ? 
1 1 1   12   28   12 o  151.281   9.8242   62.696   8.0310   0.0000   0.0000   62.696   8.0310  ?   ?   151.281   9.8242      ?      ? 
1 1 1   12   28   13 o  351.787   8.7975  338.193   16.723   0.0000   0.0000  338.193   16.723  ?   ?   351.787   8.7975      ?      ? 
1 1 1   12   28   14 o  213.755   8.0378  124.673   9.2841   0.0000   0.0000  124.673   9.2841  ?   ?   213.755   8.0378      ?      ? 
1 1 1   12   28   15 o  156.627   9.6080   67.264   8.1319   0.0000   0.0000   67.264   8.1319  ?   ?   156.627   9.6080      ?      ? 
1 1 1   12   28   16 o  143.769   10.113   56.817   7.8567   0.0000   0.0000   56.817   7.8567  ?   ?   143.769   10.113      ?      ? 
1 1 1   12   28   17 o  215.096   7.8015  126.368   9.0678   0.0000   0.0000  126.368   9.0678  ?   ?   215.096   7.8015      ?      ? 
1 1 1   12   28   18 o   79.286   16.944   18.487   7.0391   0.0000   0.0000   18.487   7.0391  ?   ?    79.286   16.944      ?      ? 
1 1 1   12   28   19 o  258.753   8.5265  183.378   11.922   0.0000   0.0000  183.378   11.922  ?   ?   258.753   8.5265      ?      ? 
1 1 1   12   28   20 o  223.390   8.9118  136.935   10.758   0.0000   0.0000  136.935   10.758  ?   ?   223.390   8.9118      ?      ? 
1 1 1   12   28   21 o   89.562   14.881   22.681   7.2018   0.0000   0.0000   22.681   7.2018  ?   ?    89.562   14.881      ?      ? 
1 1 1   12   28   22 o   39.474   17.039   0.0424   6.6326   0.0000   0.0000   0.0424   6.6326  ?   ?    39.474   17.039      ?      ? 
1 1 1   12   28   23 o  113.176   11.644   35.656   7.1214   0.0000   0.0000   35.656   7.1214  ?   ?   113.176   11.644      ?      ? 
1 1 1   12   28   24 o  152.563   9.1402   64.093   7.5352   0.0000   0.0000   64.093   7.5352  ?   ?   152.563   9.1402      ?      ? 
1 1 1   12   28   25 o  127.813   10.853   45.405   7.4956   0.0000   0.0000   45.405   7.4956  ?   ?   127.813   10.853      ?      ? 
1 1 1   12   28   26 o   48.514   18.525   5.3889   6.7594   0.0000   0.0000   5.3889   6.7594  ?   ?    48.514   18.525      ?      ? 
1 1 1   12   28   27 o   53.217   14.815   5.9829   5.8249   7.3896   10.731   5.3953   6.9356   57.711   22.961   48.723   18.727 8.987381 29.62944 
1 1 1   12   28   28 o   52.415   14.699   6.0294   5.8792   3.6577   11.100   6.9541   6.9311   53.191   22.472   51.638   18.953 1.552876 29.39775 
1 1 1   12   28   29 o  131.697   10.632   48.302   6.4327   53.401   13.388   46.772   7.3348  133.924   18.500  129.469   10.484 4.455154 21.26415 
1 1 1   12   28   30 o  126.250   12.924   47.669   8.6461   45.180   13.334   49.475   11.357  122.120   20.206  130.381   16.120 -8.261383 25.84871 
1 1 1   12   28   31 o   84.235   15.684   22.775   7.3669   17.397   10.256   28.506   10.588   73.546   23.138   94.923   21.181 -21.37682 31.36841 
1 1 1   12   28   32 o   81.666   16.209   21.972   7.4389   21.236   10.261   22.786   10.800   80.382   22.652   82.950   23.192 -2.567665 32.41867 
1 1 1   12   28   33 o   80.382   14.946   20.366   7.4376   34.262   10.734   7.5349   10.315  104.558   19.722   56.206   22.463 48.35185 29.89264 
1 1 1   12   28   34 o  106.330   13.494   35.129   7.5763   32.724   10.711   37.539   10.718  101.280   20.278  111.381   17.809 -10.10060 26.98792 
1 1 1   12   28   35 o  114.394   12.949   41.252   7.7075   45.663   10.596   36.294   11.232  123.270   15.907  105.518   20.438 17.75222 25.89856 
1 1 1   12   28   36 o   44.831   13.906  -3.5872   7.2418   7.8333   10.043 -15.9553   10.452   55.231   22.133   34.431   16.842 20.80043 27.81254 
1 1 1   12   28   37 o   97.938   14.399   31.507   7.7964   15.025   10.804   49.416   11.262   67.366   23.798  128.510   16.218 -61.14447 28.79838 
1 1 1   12   28   38 o   45.327   14.421  -1.2023   7.3991  -3.3538   10.062   1.3311   10.918   42.274   19.393   48.380   21.349 -6.105110 28.84249 
1 1 1   12   28   39 o   45.823   14.342  -0.3538   7.3543  -8.2943   10.005   8.9781   10.847   36.914   17.666   54.733   22.599 -17.81955 28.68451 
1 1 1   12   28   40 o   49.974   16.399  -1.1961   9.1046   9.2725   17.955  -4.8194   10.563   59.392   26.713   40.557   19.031 18.83497 32.79892 
1 1 1   12   28   41 o   37.311   12.970 -16.6459   8.3751 -20.8769   10.538  -9.3896   13.800   31.496   15.678   43.127   20.667 -11.63058 25.94094 
1 1 1   12   28   42 f   40.059   18.736  -3.2877   10.095  -3.2877   10.095   0.0000   0.0000   40.059   18.736  ?   ?       ?      ? 
1 1 1   12   29    0 o  136.443   9.8513   52.339   6.9189   49.595   11.526   53.885   8.6508  133.000   16.038  139.887   11.444 -6.886993 19.70257 
1 1 1   12   29    1 o   89.936   13.770   24.151   6.3976   20.930   10.591   26.001   8.0274   83.441   22.829   96.431   15.405 -12.98988 27.54054 
1 1 1   12   29    2 o   93.820   14.669   24.540   7.4369   0.0000   0.0000   24.540   7.4369  ?   ?    93.820   14.669      ?      ? 
1 1 1   12   29    3 o  196.195   9.0355  105.267   9.5792   0.0000   0.0000  105.267   9.5792  ?   ?   196.195   9.0355      ?      ? 
1 1 1   12   29    4 o   45.732   18.771   2.5022   7.4277   0.0000   0.0000   2.5022   7.4277  ?   ?    45.732   18.771      ?      ? 
1 1 1   12   29    5 o   67.378   19.357   13.314   7.4203   0.0000   0.0000   13.314   7.4203  ?   ?    67.378   19.357      ?      ? 
1 1 1   12   29    6 o  242.439   8.6760  160.671   11.366   0.0000   0.0000  160.671   11.366  ?   ?   242.439   8.6760      ?      ? 
1 1 1   12   29    7 o   40.465   18.059  -2.5063   8.0361   0.0000   0.0000  -2.5063   8.0361  ?   ?    40.465   18.059      ?      ? 
1 1 1   12   29    8 o   79.847   24.363   19.253   11.471   0.0000   0.0000   19.253   11.471  ?   ?    79.847   24.363      ?      ? 
1 1 1   12   29    9 o  180.235   13.619   90.543   13.264   0.0000   0.0000   90.543   13.264  ?   ?   180.235   13.619      ?      ? 
1 1 1   12   29   10 o  177.267   13.517   87.638   12.948   0.0000   0.0000   87.638   12.948  ?   ?   177.267   13.517      ?      ? 
1 1 1   12   29   11 o  108.632   20.167   35.096   11.402   0.0000   0.0000   35.096   11.402  ?   ?   108.632   20.167      ?      ? 
1 1 1   12   29   12 o   94.885   22.571   27.536   11.405   0.0000   0.0000   27.536   11.405  ?   ?    94.885   22.571      ?      ? 
1 1 1   12   29   13 o  117.744   18.321   39.811   11.657   0.0000   0.0000   39.811   11.657  ?   ?   117.744   18.321      ?      ? 
1 1 1   12   29   15 o  105.440   21.846   33.820   12.038   0.0000   0.0000   33.820   12.038  ?   ?   105.440   21.846      ?      ? 
1 1 1   12   29   17 o  225.655   11.547  141.580   14.080   0.0000   0.0000  141.580   14.080  ?   ?   225.655   11.547      ?      ? 
1 1 1   12   29   18 o   59.256   23.490   7.5051   11.194   0.0000   0.0000   7.5051   11.194  ?   ?    59.256   23.490      ?      ? 
1 1 1   12   29   19 o   51.792   19.722   6.1839   7.6474   0.0000   0.0000   6.1839   7.6474  ?   ?    51.792   19.722      ?      ? 
1 1 1   12   29   20 o  109.094   13.678   33.549   8.0634   0.0000   0.0000   33.549   8.0634  ?   ?   109.094   13.678      ?      ? 
1 1 1   12   29   21 o   86.871   16.173   22.259   7.3128   0.0000   0.0000   22.259   7.3128  ?   ?    86.871   16.173      ?      ? 
1 1 1   12   29   22 o   39.174   17.158  -0.6131   6.9324   0.0000   0.0000  -0.6131   6.9324  ?   ?    39.174   17.158      ?      ? 
1 1 1   12   29   23 o  129.275   15.462   48.035   10.801   0.0000   0.0000   48.035   10.801  ?   ?   129.275   15.462      ?      ? 
1 1 1   12   29   24 o  121.662   11.321   41.421   7.4427   0.0000   0.0000   41.421   7.4427  ?   ?   121.662   11.321      ?      ? 
1 1 1   12   29   25 o   90.387   14.458   23.425   7.0616   0.0000   0.0000   23.425   7.0616  ?   ?    90.387   14.458      ?      ? 
1 1 1   12   29   26 o   49.612   18.495   6.2084   6.6463   0.0000   0.0000   6.2084   6.6463  ?   ?    49.612   18.495      ?      ? 
1 1 1   12   29   27 o   48.642   18.452   5.6895   6.6781   0.0000   0.0000   5.6895   6.6781  ?   ?    48.642   18.452      ?      ? 
1 1 1   12   29   28 o  117.023   10.892   36.320   6.4057   49.707   12.027   31.018   7.5686  129.802   17.147  104.244   13.436 25.55785 21.78405 
1 1 1   12   29   29 o   42.830   13.595  -2.8744   6.1046   3.1374   10.807  -5.6919   7.3981   51.335   21.947   34.325   16.049 17.01015 27.18910 
1 1 1   12   29   30 o   47.794   14.747   0.7405   6.4947   5.0360   12.249  -0.9393   7.6600   55.540   23.543   40.047   17.767 15.49240 29.49454 
1 1 1   12   29   31 o   77.483   18.461   20.629   9.0269   19.601   11.639   22.180   14.300   75.849   24.728   79.117   27.417 -3.267792 36.92111 
1 1 1   12   29   32 o  100.808   16.766   32.204   8.6405   25.118   10.528   46.824   15.123   85.860   22.441  115.755   24.915 -29.89492 33.53161 
1 1 1   12   29   33 o   53.214   16.496   2.1206   8.7357  -1.9603   10.880   9.5248   14.655   45.085   20.485   61.342   25.863 -16.25730 32.99262 
1 1 1   12   29   34 f   97.561   16.824   35.439   9.3070   43.186   11.590   21.372   15.617  118.658   18.076   76.464   28.381 42.19331 33.64850 
1 1 1   12   29   35 o   90.139   19.458   30.351   10.420   32.748   14.064   27.432   15.516   95.192   26.412   85.086   28.581 10.10622 38.91579 
1 1 1   12   29   36 o  101.237   18.702   37.936   10.097   34.189   12.751   44.234   16.533   96.936   24.370  105.538   28.376 -8.601936 37.40451 
1 1 1   12   29   37 o   48.939   16.009   0.6945   9.8593   2.2200   12.499  -1.8182   16.041   48.496   22.004   49.381   23.260 -0.8846245 32.01862 
1 1 1   12   29   38 o   90.692   18.525   29.581   9.7365   18.565   12.141   49.437   16.299   69.444   25.146  111.941   27.211 -42.49693 37.05048 
1 1 1   12   29   39 o   72.331   18.482   18.958   9.7010   8.1577   12.348   36.374   15.680   54.446   23.373   90.215   28.635 -35.76904 36.96353 
1 1 1   12   29   40 o   60.233   26.060   14.477   15.586   0.0000   0.0000   14.477   15.586  ?   ?    60.233   26.060      ?      ? 
1 1 1   12   30    0 o  125.482   10.223   42.757   6.6577   49.437   11.400   39.299   8.2018  132.159   15.963  118.806   12.776 13.35289 20.44557 
1 1 1   12   30    1 o  179.344   10.017   88.535   9.7080   0.0000   0.0000   88.535   9.7080  ?   ?   179.344   10.017      ?      ? 
1 1 1   12   30    2 o   99.793   14.104   27.913   7.6053   0.0000   0.0000   27.913   7.6053  ?   ?    99.793   14.104      ?      ? 
1 1 1   12   30    3 o  126.334   11.376   44.176   7.7661   0.0000   0.0000   44.176   7.7661  ?   ?   126.334   11.376      ?      ? 
1 1 1   12   30    4 o   34.596   16.016  -5.2216   7.0886   0.0000   0.0000  -5.2216   7.0886  ?   ?    34.596   16.016      ?      ? 
1 1 1   12   30    5 o  130.523   11.403   47.182   8.0426   0.0000   0.0000   47.182   8.0426  ?   ?   130.523   11.403      ?      ? 
1 1 1   12   30    6 o  113.071   12.929   35.672   7.8994   0.0000   0.0000   35.672   7.8994  ?   ?   113.071   12.929      ?      ? 
1 1 1   12   30    7 o  126.745   11.801   44.611   8.0826   0.0000   0.0000   44.611   8.0826  ?   ?   126.745   11.801      ?      ? 
1 1 1   12   30    8 o   99.279   13.922   27.690   7.4685   0.0000   0.0000   27.690   7.4685  ?   ?    99.279   13.922      ?      ? 
1 1 1   12   30    9 o   61.614   19.210   11.141   7.0873   0.0000   0.0000   11.141   7.0873  ?   ?    61.614   19.210      ?      ? 
1 1 1   12   30   10 o  152.917   9.5084   64.419   7.8569   0.0000   0.0000   64.419   7.8569  ?   ?   152.917   9.5084      ?      ? 
1 1 1   12   30   11 o  156.133   9.6077   67.206   8.1059   0.0000   0.0000   67.206   8.1059  ?   ?   156.133   9.6077      ?      ? 
1 1 1   12   30   12 o  198.992   8.8646  108.859   9.5320   0.0000   0.0000  108.859   9.5320  ?   ?   198.992   8.8646      ?      ? 
1 1 1   12   30   13 o  123.613   11.820   42.578   7.8951   0.0000   0.0000   42.578   7.8951  ?   ?   123.613   11.820      ?      ? 
1 1 1   12   30   14 o   83.518   16.960   20.688   7.3929   0.0000   0.0000   20.688   7.3929  ?   ?    83.518   16.960      ?      ? 
1 1 1   12   30   15 o  101.953   13.819   29.346   7.6132   0.0000   0.0000   29.346   7.6132  ?   ?   101.953   13.819      ?      ? 
1 1 1   12   30   16 o  105.227   13.479   31.249   7.6640   0.0000   0.0000   31.249   7.6640  ?   ?   105.227   13.479      ?      ? 
1 1 1   12   30   17 o   49.887   19.219   5.5970   7.3171   0.0000   0.0000   5.5970   7.3171  ?   ?    49.887   19.219      ?      ? 
1 1 1   12   30   18 o   82.713   22.750   21.732   10.486   0.0000   0.0000   21.732   10.486  ?   ?    82.713   22.750      ?      ? 
1 1 1   12   30   19 o  107.991   19.529   35.525   10.976   0.0000   0.0000   35.525   10.976  ?   ?   107.991   19.529      ?      ? 
1 1 1   12   30   20 f   64.348   25.013   10.890   12.480   0.0000   0.0000   10.890   12.480  ?   ?    64.348   25.013      ?      ? 
1 1 1   12   30   21 o  152.529   16.319   67.789   13.451   0.0000   0.0000   67.789   13.451  ?   ?   152.529   16.319      ?      ? 
1 1 1   12   30   22 f   65.863   25.183   12.197   12.502   0.0000   0.0000   12.197   12.502  ?   ?    65.863   25.183      ?      ? 
1 1 1   12   30   23 o   76.861   26.086   19.294   12.927   0.0000   0.0000   19.294   12.927  ?   ?    76.861   26.086      ?      ? 
1 1 1   12   30   24 o   74.130   26.032   17.715   12.911   0.0000   0.0000   17.715   12.911  ?   ?    74.130   26.032      ?      ? 
1 1 1   12   30   25 o   85.322   25.653   24.846   12.786   0.0000   0.0000   24.846   12.786  ?   ?    85.322   25.653      ?      ? 
1 1 1   12   30   26 o  180.579   15.179   95.212   14.811   0.0000   0.0000   95.212   14.811  ?   ?   180.579   15.179      ?      ? 
1 1 1   12   30   27 o   46.046   21.316  -5.6422   12.555   0.0000   0.0000  -5.6422   12.555  ?   ?    46.046   21.316      ?      ? 
1 1 1   12   30   28 o   73.237   25.261   18.348   12.132   0.0000   0.0000   18.348   12.132  ?   ?    73.237   25.261      ?      ? 
1 1 1   12   30   29 o   88.495   18.195   26.972   9.2850   19.133   11.909   39.122   14.827   73.396   25.038  103.594   26.408 -30.19798 36.39023 
1 1 1   12   30   30 o   60.372   17.394   5.0757   9.6722  -6.9392   12.705   21.637   14.917   44.472   20.869   76.272   27.834 -31.80037 34.78844 
1 1 1   12   30   31 o  118.351   17.212   47.765   10.593   46.306   14.240   49.572   15.850  117.370   23.275  119.331   25.362 -1.961258 34.42313 
1 1 1   12   30   32 o   80.818   19.304   22.992   10.009   17.349   13.071   30.991   15.562   71.120   26.039   90.515   28.505 -19.39510 38.60807 
1 1 1   12   30   33 o  135.489   20.621   59.887   15.097   59.887   15.097   0.0000   0.0000  135.489   20.621  ?   ?       ?      ? 
1 1 1   12   30   34 o   49.329   15.423   3.6251   8.1600   8.1374   11.903  -0.3752   11.208   53.891   23.037   44.768   20.512 9.123383 30.84519 
1 1 1   12   30   35 o   83.062   17.941   27.118   8.7364   28.333   13.416   26.224   11.512   83.280   26.493   82.844   24.200 0.4362717 35.88210 
1 1 1   12   30   36 o   80.113   18.733   29.029   10.510   13.937   21.874   33.559   11.984   64.710   29.259   95.516   23.403 -30.80602 37.46700 
1 1 1   12   30   37 o   45.187   15.634 -12.6177   12.456 -17.3716   20.710  -9.9234   15.592   46.408   22.899   43.965   21.292 2.443752 31.26897 
1 1 1   12   31    0 o  137.003   9.5002   52.810   6.8306   52.568   11.022   52.961   8.7036  136.095   14.987  137.910   11.679 -1.815475 19.00046 
1 1 1   12   31    1 f   95.392   14.551   25.757   7.5004   0.0000   0.0000   25.757   7.5004  ?   ?    95.392   14.551      ?      ? 
1 1 1   12   31    2 o   46.719   18.929   3.4899   7.4343   0.0000   0.0000   3.4899   7.4343  ?   ?    46.719   18.929      ?      ? 
1 1 1   12   31    3 o   31.369   15.076 -10.0269   7.4616   0.0000   0.0000 -10.0269   7.4616  ?   ?    31.369   15.076      ?      ? 
1 1 1   12   31    4 o  171.709   9.3223   81.241   8.6498   0.0000   0.0000   81.241   8.6498  ?   ?   171.709   9.3223      ?      ? 
1 1 1   12   31    5 o   37.961   17.099  -2.7324   7.3885   0.0000   0.0000  -2.7324   7.3885  ?   ?    37.961   17.099      ?      ? 
1 1 1   12   31    6 o   82.671   17.063   20.328   7.3699   0.0000   0.0000   20.328   7.3699  ?   ?    82.671   17.063      ?      ? 
1 1 1   12   31    7 o  125.064   11.302   43.547   7.6376   0.0000   0.0000   43.547   7.6376  ?   ?   125.064   11.302      ?      ? 
1 1 1   12   31    8 f   84.489   16.922   21.233   7.4562   0.0000   0.0000   21.233   7.4562  ?   ?    84.489   16.922      ?      ? 
1 1 1   12   31    9 o   68.921   19.193   14.467   7.4126   0.0000   0.0000   14.467   7.4126  ?   ?    68.921   19.193      ?      ? 
1 1 1   12   31   10 o  167.835   9.4271   77.831   8.5497   0.0000   0.0000   77.831   8.5497  ?   ?   167.835   9.4271      ?      ? 
1 1 1   12   31   11 o   56.806   19.648   9.1231   7.3424   0.0000   0.0000   9.1231   7.3424  ?   ?    56.806   19.648      ?      ? 
1 1 1   12   31   12 o  137.568   10.726   52.698   7.9732   0.0000   0.0000   52.698   7.9732  ?   ?   137.568   10.726      ?      ? 
1 1 1   12   31   13 o   50.667   19.089   6.2731   7.1168   0.0000   0.0000   6.2731   7.1168  ?   ?    50.667   19.089      ?      ? 
1 1 1   12   31   14 o  137.399   10.532   52.592   7.8196   0.0000   0.0000   52.592   7.8196  ?   ?   137.399   10.532      ?      ? 
1 1 1   12   31   15 o  159.958   9.5092   70.936   8.2193   0.0000   0.0000   70.936   8.2193  ?   ?   159.958   9.5092      ?      ? 
1 1 1   12   31   16 o   41.408   17.846   0.6053   7.2524   0.0000   0.0000   0.6053   7.2524  ?   ?    41.408   17.846      ?      ? 
1 1 1   12   31   17 o  114.605   12.214   37.071   7.5638   0.0000   0.0000   37.071   7.5638  ?   ?   114.605   12.214      ?      ? 
1 1 1   12   31   18 o   57.862   19.583   9.8195   7.2853   0.0000   0.0000   9.8195   7.2853  ?   ?    57.862   19.583      ?      ? 
1 1 1   12   31   19 o  125.090   11.729   44.025   7.9285   0.0000   0.0000   44.025   7.9285  ?   ?   125.090   11.729      ?      ? 
1 1 1   12   31   20 o   95.350   14.400   26.174   7.4194   0.0000   0.0000   26.174   7.4194  ?   ?    95.350   14.400      ?      ? 
1 1 1   12   31   21 o   77.991   17.834   18.793   7.3525   0.0000   0.0000   18.793   7.3525  ?   ?    77.991   17.834      ?      ? 
1 1 1   12   31   22 o   83.539   18.092   21.633   7.9307   0.0000   0.0000   21.633   7.9307  ?   ?    83.539   18.092      ?      ? 
1 1 1   12   31   23 o  129.725   11.135   47.464   7.8055   0.0000   0.0000   47.464   7.8055  ?   ?   129.725   11.135      ?      ? 
1 1 1   12   31   24 o   52.305   19.225   7.5987   7.1346   0.0000   0.0000   7.5987   7.1346  ?   ?    52.305   19.225      ?      ? 
1 1 1   12   31   25 o   51.064   19.628   6.9188   7.6199   0.0000   0.0000   6.9188   7.6199  ?   ?    51.064   19.628      ?      ? 
1 1 1   12   31   26 o  101.633   14.202   30.435   7.7998   0.0000   0.0000   30.435   7.7998  ?   ?   101.633   14.202      ?      ? 
1 1 1   12   31   27 o   47.652   19.165   4.9474   7.5597   0.0000   0.0000   4.9474   7.5597  ?   ?    47.652   19.165      ?      ? 
1 1 1   12   31   28 o  123.558   18.713   47.152   12.494   0.0000   0.0000   47.152   12.494  ?   ?   123.558   18.713      ?      ? 
1 1 1   12   31   29 o   24.284   12.261 -23.3172   7.6658   0.0000   0.0000 -23.3172   7.6658  ?   ?    24.284   12.261      ?      ? 
1 1 1   12   31   30 o   92.544   15.467   28.080   7.1829   34.775   12.930   25.091   8.6387   97.565   24.546   87.523   18.825 10.04154 30.93327 
1 1 1   12   31   31 o  117.560   13.409   41.867   8.5180   0.0000   0.0000   41.867   8.5180  ?   ?   117.560   13.409      ?      ? 
1 1 1   12   31   32 o   69.484   21.300   17.284   8.7555   0.0000   0.0000   17.284   8.7555  ?   ?    69.484   21.300      ?      ? 
1 1 1   12   31   33 o   34.428   16.368  -6.9024   8.3011   0.0000   0.0000  -6.9024   8.3011  ?   ?    34.428   16.368      ?      ? 
1 1 1   12   31   34 o   64.227   19.570   17.929   12.387   15.655   18.889   19.644   16.407   62.365   27.771   66.088   27.582 -3.723328 39.14047 
1 1 1   12   32    0 o  111.423   12.430   34.971   7.4843   0.0000   0.0000   34.971   7.4843  ?   ?   111.423   12.430      ?      ? 
1 1 1   12   32    1 o  138.619   10.860   53.608   8.1347   0.0000   0.0000   53.608   8.1347  ?   ?   138.619   10.860      ?      ? 
1 1 1   12   32    2 o   43.230   18.569   0.8741   7.8013   0.0000   0.0000   0.8741   7.8013  ?   ?    43.230   18.569      ?      ? 
1 1 1   12   32    3 o  101.796   14.200   29.577   7.8112   0.0000   0.0000   29.577   7.8112  ?   ?   101.796   14.200      ?      ? 
1 1 1   12   32    4 f   38.138   17.239  -2.7884   7.5857   0.0000   0.0000  -2.7884   7.5857  ?   ?    38.138   17.239      ?      ? 
1 1 1   12   32    5 o  101.432   14.251   29.410   7.8110   0.0000   0.0000   29.410   7.8110  ?   ?   101.432   14.251      ?      ? 
1 1 1   12   32    6 o   74.238   19.322   17.084   7.8261   0.0000   0.0000   17.084   7.8261  ?   ?    74.238   19.322      ?      ? 
1 1 1   12   32    7 o   61.774   19.735   11.560   7.4385   0.0000   0.0000   11.560   7.4385  ?   ?    61.774   19.735      ?      ? 
1 1 1   12   32    8 o   83.988   16.877   21.247   7.3939   0.0000   0.0000   21.247   7.3939  ?   ?    83.988   16.877      ?      ? 
1 1 1   12   32    9 o   88.971   16.743   23.755   7.7541   0.0000   0.0000   23.755   7.7541  ?   ?    88.971   16.743      ?      ? 
1 1 1   12   32   10 o   73.451   18.815   16.691   7.5009   0.0000   0.0000   16.691   7.5009  ?   ?    73.451   18.815      ?      ? 
1 1 1   12   32   11 o   81.683   17.345   20.232   7.4194   0.0000   0.0000   20.232   7.4194  ?   ?    81.683   17.345      ?      ? 
1 1 1   12   32   12 o   98.414   14.436   27.791   7.6772   0.0000   0.0000   27.791   7.6772  ?   ?    98.414   14.436      ?      ? 
1 1 1   12   32   13 o  114.728   12.485   37.240   7.7404   0.0000   0.0000   37.240   7.7404  ?   ?   114.728   12.485      ?      ? 
1 1 1   12   32   14 o   52.048   19.813   6.7536   7.7174   0.0000   0.0000   6.7536   7.7174  ?   ?    52.048   19.813      ?      ? 
1 1 1   12   32   15 f   42.002   17.973   1.1899   7.2582   0.0000   0.0000   1.1899   7.2582  ?   ?    42.002   17.973      ?      ? 
1 1 1   12   32   16 o  186.753   8.8465   96.779   8.9275   0.0000   0.0000   96.779   8.9275  ?   ?   186.753   8.8465      ?      ? 
1 1 1   12   32   17 o   91.170   16.488   25.145   7.8237   0.0000   0.0000   25.145   7.8237  ?   ?    91.170   16.488      ?      ? 
1 1 1   12   32   18 o   38.045   17.091  -1.8901   7.3244   0.0000   0.0000  -1.8901   7.3244  ?   ?    38.045   17.091      ?      ? 
1 1 1   12   32   19 f   88.084   16.697   23.670   7.6567   0.0000   0.0000   23.670   7.6567  ?   ?    88.084   16.697      ?      ? 
1 1 1   12   32   20 o  102.333   14.237   30.646   7.8725   0.0000   0.0000   30.646   7.8725  ?   ?   102.333   14.237      ?      ? 
1 1 1   12   32   21 o   72.653   19.003   17.128   7.5457   0.0000   0.0000   17.128   7.5457  ?   ?    72.653   19.003      ?      ? 
1 1 1   12   32   22 o   51.697   19.637   7.3642   7.5706   0.0000   0.0000   7.3642   7.5706  ?   ?    51.697   19.637      ?      ? 
1 1 1   12   32   23 o   85.539   17.721   22.959   7.9217   0.0000   0.0000   22.959   7.9217  ?   ?    85.539   17.721      ?      ? 
1 1 1   12   32   24 o  149.360   11.125   63.327   8.9792   0.0000   0.0000   63.327   8.9792  ?   ?   149.360   11.125      ?      ? 
1 1 1   12   32   25 o   40.135   18.120  -1.9458   8.3522   0.0000   0.0000  -1.9458   8.3522  ?   ?    40.135   18.120      ?      ? 
1 1 1   12   32   26 o  107.122   15.100   34.370   8.7406   0.0000   0.0000   34.370   8.7406  ?   ?   107.122   15.100      ?      ? 
1 1 1   12   32   27 o   44.994   20.245   0.9099   10.325   0.0000   0.0000   0.9099   10.325  ?   ?    44.994   20.245      ?      ? 
1 1 1   12   32   28 o  138.898   13.875   58.798   10.414   0.0000   0.0000   58.798   10.414  ?   ?   138.898   13.875      ?      ? 
1 1 1   12   32   29 o   42.832   19.420  -0.7785   9.7137   0.0000   0.0000  -0.7785   9.7137  ?   ?    42.832   19.420      ?      ? 
1 1 1   12   32   30 o   32.956   15.880  -9.0501   8.4069   0.0000   0.0000  -9.0501   8.4069  ?   ?    32.956   15.880      ?      ? 
1 1 1   12   32   31 o   55.617   16.429   7.7652   7.5720   19.876   14.204   2.9574   8.9496   66.894   26.479   44.341   19.456 22.55262 32.85843 
1 1 1   12   33    0 o   51.555   19.256   6.8298   7.2115   0.0000   0.0000   6.8298   7.2115  ?   ?    51.555   19.256      ?      ? 
1 1 1   12   33    1 o   40.712   17.914  -0.5696   7.6341   0.0000   0.0000  -0.5696   7.6341  ?   ?    40.712   17.914      ?      ? 
1 1 1   12   33    2 o   49.003   19.501   4.9772   7.7420   0.0000   0.0000   4.9772   7.7420  ?   ?    49.003   19.501      ?      ? 
1 1 1   12   33    3 o   54.312   19.588   8.1847   7.3564   0.0000   0.0000   8.1847   7.3564  ?   ?    54.312   19.588      ?      ? 
1 1 1   12   33    4 o   35.521   16.492  -5.1136   7.5947   0.0000   0.0000  -5.1136   7.5947  ?   ?    35.521   16.492      ?      ? 
1 1 1   12   33    5 o   72.995   19.387   16.747   7.7762   0.0000   0.0000   16.747   7.7762  ?   ?    72.995   19.387      ?      ? 
1 1 1   12   33    6 o   30.566   14.745  -9.8990   7.2966   0.0000   0.0000  -9.8990   7.2966  ?   ?    30.566   14.745      ?      ? 
1 1 1   12   33    7 o   79.215   18.141   19.467   7.5982   0.0000   0.0000   19.467   7.5982  ?   ?    79.215   18.141      ?      ? 
1 1 1   12   33    8 o   52.371   19.678   7.2284   7.5533   0.0000   0.0000   7.2284   7.5533  ?   ?    52.371   19.678      ?      ? 
1 1 1   12   33    9 f  110.127   13.642   34.908   8.1183   0.0000   0.0000   34.908   8.1183  ?   ?   110.127   13.642      ?      ? 
1 1 1   12   33   10 o   47.694   19.110   4.6653   7.4862   0.0000   0.0000   4.6653   7.4862  ?   ?    47.694   19.110      ?      ? 
1 1 1   12   33   11 o   88.319   17.270   23.876   7.9467   0.0000   0.0000   23.876   7.9467  ?   ?    88.319   17.270      ?      ? 
1 1 1   12   33   12 o   55.703   19.962   8.9950   7.6275   0.0000   0.0000   8.9950   7.6275  ?   ?    55.703   19.962      ?      ? 
1 1 1   12   33   13 o  125.109   12.260   44.717   8.2887   0.0000   0.0000   44.717   8.2887  ?   ?   125.109   12.260      ?      ? 
1 1 1   12   33   14 o   47.718   19.591   4.3788   8.0928   0.0000   0.0000   4.3788   8.0928  ?   ?    47.718   19.591      ?      ? 
1 1 1   12   33   15 o   43.841   18.756   2.0886   7.9023   0.0000   0.0000   2.0886   7.9023  ?   ?    43.841   18.756      ?      ? 
1 1 1   12   33   16 o   41.109   17.930   0.7259   7.5010   0.0000   0.0000   0.7259   7.5010  ?   ?    41.109   17.930      ?      ? 
1 1 1   12   33   17 o   92.623   17.060   26.651   8.2242   0.0000   0.0000   26.651   8.2242  ?   ?    92.623   17.060      ?      ? 
1 1 1   12   33   18 f   32.904   15.694  -8.1029   7.7594   0.0000   0.0000  -8.1029   7.7594  ?   ?    32.904   15.694      ?      ? 
1 1 1   12   33   19 o   43.896   19.226   0.6749   8.7047   0.0000   0.0000   0.6749   8.7047  ?   ?    43.896   19.226      ?      ? 
1 1 1   12   33   20 o  132.569   15.130   51.919   10.839   0.0000   0.0000   51.919   10.839  ?   ?   132.569   15.130      ?      ? 
1 1 1   12   33   21 o   45.361   20.115   0.2946   9.8075   0.0000   0.0000   0.2946   9.8075  ?   ?    45.361   20.115      ?      ? 
1 1 1   12   33   22 o   90.245   20.517   27.560   9.7789   0.0000   0.0000   27.560   9.7789  ?   ?    90.245   20.517      ?      ? 
1 1 1   12   33   23 o   42.108   19.175  -0.6481   9.6026   0.0000   0.0000  -0.6481   9.6026  ?   ?    42.108   19.175      ?      ? 
1 1 1   12   33   24 o   62.841   22.656   14.734   9.8403   0.0000   0.0000   14.734   9.8403  ?   ?    62.841   22.656      ?      ? 
1 1 1   12   33   25 o   62.086   23.178   13.613   10.446   0.0000   0.0000   13.613   10.446  ?   ?    62.086   23.178      ?      ? 
1 1 1   12   33   26 o   92.750   19.503   29.097   9.4644   0.0000   0.0000   29.097   9.4644  ?   ?    92.750   19.503      ?      ? 
1 1 1   12   33   27 o   40.769   17.984   1.4220   7.7409   0.0000   0.0000   1.4220   7.7409  ?   ?    40.769   17.984      ?      ? 
1 1 1   12   33   28 o   49.098   19.388   7.5000   7.5981   0.0000   0.0000   7.5000   7.5981  ?   ?    49.098   19.388      ?      ? 
1 1 1   12   34    0 o   67.533   19.245   14.659   7.3639   0.0000   0.0000   14.659   7.3639  ?   ?    67.533   19.245      ?      ? 
1 1 1   12   34    1 o   51.018   19.665   6.7557   7.6641   0.0000   0.0000   6.7557   7.6641  ?   ?    51.018   19.665      ?      ? 
1 1 1   12   34    2 o  124.222   11.963   44.184   8.0304   0.0000   0.0000   44.184   8.0304  ?   ?   124.222   11.963      ?      ? 
1 1 1   12   34    3 o   55.047   20.303   8.8683   7.9676   0.0000   0.0000   8.8683   7.9676  ?   ?    55.047   20.303      ?      ? 
1 1 1   12   34    4 o   63.216   19.841   12.938   7.5464   0.0000   0.0000   12.938   7.5464  ?   ?    63.216   19.841      ?      ? 
1 1 1   12   34    5 o   58.341   20.172   10.702   7.7387   0.0000   0.0000   10.702   7.7387  ?   ?    58.341   20.172      ?      ? 
1 1 1   12   34    6 o   59.241   20.558   11.141   8.0411   0.0000   0.0000   11.141   8.0411  ?   ?    59.241   20.558      ?      ? 
1 1 1   12   34    7 o   76.192   19.338   18.941   7.9755   0.0000   0.0000   18.941   7.9755  ?   ?    76.192   19.338      ?      ? 
1 1 1   12   34    8 o   48.698   19.620   5.3606   7.9381   0.0000   0.0000   5.3606   7.9381  ?   ?    48.698   19.620      ?      ? 
1 1 1   12   34    9 o   33.864   16.219  -9.1989   8.4707   0.0000   0.0000  -9.1989   8.4707  ?   ?    33.864   16.219      ?      ? 
1 1 1   12   34   10 o   56.460   22.299   8.6203   10.052   0.0000   0.0000   8.6203   10.052  ?   ?    56.460   22.299      ?      ? 
1 1 1   12   34   11 o   50.610   21.795   3.3392   10.800   0.0000   0.0000   3.3392   10.800  ?   ?    50.610   21.795      ?      ? 
1 1 1   12   34   12 o   68.477   23.594   15.699   10.583   0.0000   0.0000   15.699   10.583  ?   ?    68.477   23.594      ?      ? 
1 1 1   12   34   13 o  142.995   14.212   59.786   10.981   0.0000   0.0000   59.786   10.981  ?   ?   142.995   14.212      ?      ? 
1 1 1   12   34   15 o   35.734   17.227 -11.6114   9.9224   0.0000   0.0000 -11.6114   9.9224  ?   ?    35.734   17.227      ?      ? 
1 1 1   12   34   16 o   48.415   20.803   3.4552   9.7965   0.0000   0.0000   3.4552   9.7965  ?   ?    48.415   20.803      ?      ? 
1 1 1   12   34   17 o   50.609   21.300   6.0436   9.9112   0.0000   0.0000   6.0436   9.9112  ?   ?    50.609   21.300      ?      ? 
1 1 1   12   34   18 o  169.329   12.309   85.358   11.263   0.0000   0.0000   85.358   11.263  ?   ?   169.329   12.309      ?      ? 
1 1 1   12   34   19 o   52.820   21.001   8.6808   8.9710   0.0000   0.0000   8.6808   8.9710  ?   ?    52.820   21.001      ?      ? 
1 1 1   12   34   20 o   79.682   19.162   21.438   8.1497   0.0000   0.0000   21.438   8.1497  ?   ?    79.682   19.162      ?      ? 
1 1 1   12   34   21 o   80.493   18.549   21.573   7.9024   0.0000   0.0000   21.573   7.9024  ?   ?    80.493   18.549      ?      ? 
1 1 1   12   34   22 o   56.577   20.341   11.003   7.9263   0.0000   0.0000   11.003   7.9263  ?   ?    56.577   20.341      ?      ? 
1 1 1   12   34   23 o   88.268   17.568   26.177   8.0848   0.0000   0.0000   26.177   8.0848  ?   ?    88.268   17.568      ?      ? 
1 1 1   12   35    0 o   67.098   24.215   14.871   11.245   0.0000   0.0000   14.871   11.245  ?   ?    67.098   24.215      ?      ? 
1 1 1   12   35    1 o   53.441   22.203   5.8939   10.563   0.0000   0.0000   5.8939   10.563  ?   ?    53.441   22.203      ?      ? 
1 1 1   12   35    2 o   58.286   23.135   9.2699   10.870   0.0000   0.0000   9.2699   10.870  ?   ?    58.286   23.135      ?      ? 
1 1 1   12   35    3 o   39.550   18.701  -8.1644   10.553   0.0000   0.0000  -8.1644   10.553  ?   ?    39.550   18.701      ?      ? 
1 1 1   12   35    4 o   58.665   23.236   9.6560   10.944   0.0000   0.0000   9.6560   10.944  ?   ?    58.665   23.236      ?      ? 
1 1 1   12   35    5 o   63.871   23.874   13.264   11.090   0.0000   0.0000   13.264   11.090  ?   ?    63.871   23.874      ?      ? 
1 1 1   12   35    6 o   73.182   23.372   18.825   10.433   0.0000   0.0000   18.825   10.433  ?   ?    73.182   23.372      ?      ? 
1 1 1   12   35    7 o   59.680   22.954   11.305   10.425   0.0000   0.0000   11.305   10.425  ?   ?    59.680   22.954      ?      ? 
1 1 1   12   35    8 o   37.679   17.769  -6.2082   9.4149   0.0000   0.0000  -6.2082   9.4149  ?   ?    37.679   17.769      ?      ? 
1 1 1   12   35    9 o   40.161   18.515  -2.5554   9.3264   0.0000   0.0000  -2.5554   9.3264  ?   ?    40.161   18.515      ?      ? 
1 1 1   12   35   10 o   35.110   16.397  -3.9656   7.6844   0.0000   0.0000  -3.9656   7.6844  ?   ?    35.110   16.397      ?      ? 
1 1 1   12   35   11 o   27.682   13.704 -14.1919   7.6335   0.0000   0.0000 -14.1919   7.6335  ?   ?    27.682   13.704      ?      ? 
1 1 1   12   35   12 o   32.852   15.616  -6.2260   7.5496   0.0000   0.0000  -6.2260   7.5496  ?   ?    32.852   15.616      ?      ? 
1 1 1   12   35   13 o   51.885   19.764   8.2468   7.6818   0.0000   0.0000   8.2468   7.6818  ?   ?    51.885   19.764      ?      ? 
1 1 1   12   35   14 o   78.119   18.621   20.357   7.7492   0.0000   0.0000   20.357   7.7492  ?   ?    78.119   18.621      ?      ? 
1 1 1   12   35   15 o   46.919   19.149   5.2519   7.6749   0.0000   0.0000   5.2519   7.6749  ?   ?    46.919   19.149      ?      ? 
1 1 1   12   35   16 o   91.326   18.339   27.849   8.7358   0.0000   0.0000   27.849   8.7358  ?   ?    91.326   18.339      ?      ? 
1 1 1   12   35   17 o   55.754   20.245   10.849   7.8773   0.0000   0.0000   10.849   7.8773  ?   ?    55.754   20.245      ?      ? 
1 1 1   12   35   18 o   41.031   18.003   1.9622   7.6621   0.0000   0.0000   1.9622   7.6621  ?   ?    41.031   18.003      ?      ? 
1 1 1   12   36    0 o   53.158   20.563   8.5587   8.4030   0.0000   0.0000   8.5587   8.4030  ?   ?    53.158   20.563      ?      ? 
1 1 1   12   36    1 o   78.487   19.621   20.970   8.2990   0.0000   0.0000   20.970   8.2990  ?   ?    78.487   19.621      ?      ? 
1 1 1   12   36    2 o   44.930   19.041   3.5443   8.0097   0.0000   0.0000   3.5443   8.0097  ?   ?    44.930   19.041      ?      ? 
1 1 1   12   36    3 o   38.779   17.402  -0.6025   7.5711   0.0000   0.0000  -0.6025   7.5711  ?   ?    38.779   17.402      ?      ? 
1 1 1   12   36    4 o   54.136   19.914   9.4008   7.6576   0.0000   0.0000   9.4008   7.6576  ?   ?    54.136   19.914      ?      ? 
1 1 1   12   36    5 o   53.380   19.896   9.0773   7.6906   0.0000   0.0000   9.0773   7.6906  ?   ?    53.380   19.896      ?      ? 
1 1 1   12   36    6 o   35.540   16.539  -3.7429   7.7094   0.0000   0.0000  -3.7429   7.7094  ?   ?    35.540   16.539      ?      ? 
1 1 1   12   36    7 o   79.995   18.961   21.969   8.0710   0.0000   0.0000   21.969   8.0710  ?   ?    79.995   18.961      ?      ? 
1 1 1   12   36    8 o   46.473   19.249   5.3730   7.9043   0.0000   0.0000   5.3730   7.9043  ?   ?    46.473   19.249      ?      ? 
1 1 1   12   36    9 o   43.431   18.634   3.4548   7.8409   0.0000   0.0000   3.4548   7.8409  ?   ?    43.431   18.634      ?      ? 
1 1 1   12   36   10 o   36.192   16.792  -2.7843   7.8543   0.0000   0.0000  -2.7843   7.8543  ?   ?    36.192   16.792      ?      ? 
1 1 1   12   36   11 o  113.799   13.518   39.769   8.3127   0.0000   0.0000   39.769   8.3127  ?   ?   113.799   13.518      ?      ? 
1 1 1   13    0    0 o  586.060   7.3058  929.276   32.697  929.276   32.697  929.276   32.697  586.060   10.332  586.060   10.332 0.000000 0.000000 
1 1 1   13    0    1 o  894.050   10.788  2163.76   73.659  2163.76   73.659  2163.76   73.659  894.050   15.257  894.050   15.257 0.000000 0.000000 
1 1 1   13    0    2 o  266.970   4.0353  192.860   8.2243  192.860   8.2243  192.860   8.2243  266.970   5.7068  266.970   5.7068 0.000000 0.000000 
1 1 1   13    0    3 o  1040.33   12.472  2931.15   99.086  2931.15   99.086  2931.15   99.086  1040.33   17.637  1040.33   17.637 0.000000 0.000000 
1 1 1   13    0    4 o  176.616   3.4432   84.481   4.6393   84.481   4.6393   84.481   4.6393  176.616   4.8694  176.616   4.8694 0.000000 0.000000 
1 1 1   13    0    5 f  490.333   6.2589  650.496   23.435  650.496   23.435  650.496   23.435  490.333   8.8514  490.333   8.8514 0.000000 0.000000 
1 1 1   13    0    6 o  101.420   3.5909   28.003   2.7672   28.003   2.7672   28.003   2.7672  101.420   5.0783  101.420   5.0783 0.000000 0.000000 
1 1 1   13    0    7 o  977.371   11.759  2587.09   87.769  2587.09   87.769  2587.09   87.769  977.371   16.629  977.371   16.629 0.000000 0.000000 
1 1 1   13    0    8 o  545.385   6.8673  804.836   28.601  804.836   28.601  804.836   28.601  545.385   9.7119  545.385   9.7119 0.000000 0.000000 
1 1 1   13    0    9 o  504.075   6.4276  687.510   24.742  687.510   24.742  687.510   24.742  504.075   9.0900  504.075   9.0900 0.000000 0.000000 
1 1 1   13    0   10 f  706.800   8.6779  1352.18   46.840  1352.18   46.840  1352.18   46.840  706.800   12.272  706.800   12.272 0.000000 0.000000 
1 1 1   13    0   11 o   69.625   5.3564   13.561   2.7644   13.561   2.7644   13.561   2.7644   69.625   7.5750   69.625   7.5750 0.000000 0.000000 
1 1 1   13    0   13 o  1053.82   12.688  3009.54  102.109  3009.54  102.109  3009.54  102.109  1053.82   17.943  1053.82   17.943 0.000000 0.000000 
1 1 1   13    0   14 o  1336.40   15.992  4847.04  163.217  4847.04  163.217  4847.04  163.217  1336.40   22.616  1336.40   22.616 0.000000 0.000000 
1 1 1   13    0   15 o  859.630   10.422  2001.52   68.420  2001.52   68.420  2001.52   68.420  859.630   14.739  859.630   14.739 0.000000 0.000000 
1 1 1   13    0   17 o  739.698   9.0689  1481.27   51.229  1481.27   51.229  1481.27   51.229  739.698   12.825  739.698   12.825 0.000000 0.000000 
1 1 1   13    0   18 o  1031.12   12.401  2880.89   97.656  2880.89   97.656  2880.89   97.656  1031.12   17.538  1031.12   17.538 0.000000 0.000000 
1 1 1   13    0   19 o  992.958   16.965  2677.93  128.561  2677.93  128.561  2677.93  128.561  992.958   23.992  992.958   23.992 0.000000 0.000000 
1 1 1   13    0   20 o  124.977   4.0777   42.477   3.8756   42.477   3.8756   42.477   3.8756  124.977   5.7668  124.977   5.7668 0.000000 0.000000 
1 1 1   13    0   21 o  298.468   6.3564  241.441   14.468  241.441   14.468  241.441   14.468  298.468   8.9893  298.468   8.9893 0.000000 0.000000 
1 1 1   13    0   22 o  538.633   6.8489  784.992   28.171  784.992   28.171  784.992   28.171  538.633   9.6858  538.633   9.6858 0.000000 0.000000 
1 1 1   13    0   23 o  268.839   4.2946  195.605   8.8129  195.605   8.8129  195.605   8.8129  268.839   6.0735  268.839   6.0735 0.000000 0.000000 
1 1 1   13    0   24 o  949.169   11.455  2438.83   83.033  2438.83   83.033  2438.83   83.033  949.169   16.200  949.169   16.200 0.000000 0.000000 
1 1 1   13    0   26 o  251.970   4.2954  171.862   8.2601  171.862   8.2601  171.862   8.2601  251.970   6.0746  251.970   6.0746 0.000000 0.000000 
1 1 1   13    0   27 o  335.037   4.9035  303.733   12.543  303.733   12.543  303.733   12.543  335.037   6.9346  335.037   6.9346 0.000000 0.000000 
1 1 1   13    0   28 o  709.076   8.7593  1360.61   47.431  1360.61   47.431  1360.61   47.431  709.076   12.388  709.076   12.388 0.000000 0.000000 
1 1 1   13    0   29 o  621.054   7.8014  1043.69   37.000  1043.69   37.000  1043.69   37.000  621.054   11.033  621.054   11.033 0.000000 0.000000 
1 1 1   13    0   30 o  789.127   9.6780  1685.63   58.323  1685.63   58.323  1685.63   58.323  789.127   13.687  789.127   13.687 0.000000 0.000000 
1 1 1   13    0   31 o  793.696   9.7519  1705.48   59.109  1705.48   59.109  1705.48   59.109  793.696   13.791  793.696   13.791 0.000000 0.000000 
1 1 1   13    0   32 o  411.519   5.7423  458.265   18.042  458.265   18.042  458.265   18.042  411.519   8.1208  411.519   8.1208 0.000000 0.000000 
1 1 1   13    0   33 o  1115.28   13.417  3371.00  114.277  3371.00  114.277  3371.00  114.277  1115.28   18.975  1115.28   18.975 0.000000 0.000000 
1 1 1   13    0   34 o  232.751   4.8940  146.802   8.6874  146.802   8.6874  146.802   8.6874  232.751   6.9212  232.751   6.9212 0.000000 0.000000 
1 1 1   13    0   35 o  363.589   5.4694  357.808   15.181  357.808   15.181  357.808   15.181  363.589   7.7348  363.589   7.7348 0.000000 0.000000 
1 1 1   13    0   36 o  281.284   4.9836  214.263   10.697  214.263   10.697  214.263   10.697  281.284   7.0479  281.284   7.0479 0.000000 0.000000 
1 1 1   13    0   37 o  1022.04   12.377  2832.54   96.602  2832.54   96.602  2832.54   96.602  1022.04   17.503  1022.04   17.503 0.000000 0.000000 
1 1 1   13    0   38 o  240.170   4.9956  156.334   9.1507  156.334   9.1507  156.334   9.1507  240.170   7.0648  240.170   7.0648 0.000000 0.000000 
1 1 1   13    0   39 o   66.192   13.124   14.346   5.7458   14.346   5.7458   14.346   5.7458   66.192   18.561   66.192   18.561 0.000000 0.000000 
1 1 1   13    0   40 o  455.697   8.7432  563.513   30.396  563.513   30.396  563.513   30.396  455.697   12.365  455.697   12.365 0.000000 0.000000 
1 1 1   13    0   43 o   75.295   17.850   19.896   9.1673   19.896   9.1673   19.896   9.1673   75.295   25.244   75.295   25.244 0.000000 0.000000 
1 1 1   13    0   44 o  252.254   5.0028  172.560   9.6268  172.560   9.6268  172.560   9.6268  252.254   7.0751  252.254   7.0751 0.000000 0.000000 
1 1 1   13    0   45 o  355.287   5.4496  342.176   14.780  342.176   14.780  342.176   14.780  355.287   7.7069  355.287   7.7069 0.000000 0.000000 
1 1 1   13    0   46 o  284.341   5.0420  219.225   10.940  219.225   10.940  219.225   10.940  284.341   7.1305  284.341   7.1305 0.000000 0.000000 
1 1 1   13    0   47 o   72.443   11.714   16.333   5.6493   16.333   5.6493   16.333   5.6493   72.443   16.566   72.443   16.566 0.000000 0.000000 
1 1 1   13    0   48 o   30.768   12.916   2.8799   5.2865   2.8799   5.2865   2.8799   5.2865   30.768   18.266   30.768   18.266 0.000000 0.000000 
1 1 1   13    0   49 o  110.831   7.2010   34.190   5.9806   34.190   5.9806   34.190   5.9806  110.831   10.184  110.831   10.184 0.000000 0.000000 
1 1 1   13    0   50 o  224.922   5.0191  137.502   8.6076  137.502   8.6076  137.502   8.6076  224.922   7.0981  224.922   7.0981 0.000000 0.000000 
1 1 1   13    0   51 o  318.144   5.2400  274.940   12.724  274.940   12.724  274.940   12.724  318.144   7.4105  318.144   7.4105 0.000000 0.000000 
1 1 1   13    0   52 o  309.952   5.2196  261.064   12.347  261.064   12.347  261.064   12.347  309.952   7.3816  309.952   7.3816 0.000000 0.000000 
1 1 1   13    0   53 o  373.384   5.6650  379.328   16.148  379.328   16.148  379.328   16.148  373.384   8.0116  373.384   8.0116 0.000000 0.000000 
1 1 1   13    0   54 o  402.578   5.9226  441.396   18.203  441.396   18.203  441.396   18.203  402.578   8.3758  402.578   8.3758 0.000000 0.000000 
1 1 1   13    0   55 o   66.314   13.662   14.906   6.0108   14.906   6.0108   14.906   6.0108   66.314   19.321   66.314   19.321 0.000000 0.000000 
1 1 1   13    0   56 o  168.437   5.8387   77.809   7.4743   77.809   7.4743   77.809   7.4743  168.437   8.2572  168.437   8.2572 0.000000 0.000000 
1 1 1   13    0   57 o   43.730   15.293   8.0587   6.1436   8.0587   6.1436   8.0587   6.1436   43.730   21.628   43.730   21.628 0.000000 0.000000 
1 1 1   13    0   58 o  173.900   5.8494   83.073   7.7334   83.073   7.7334   83.073   7.7334  173.900   8.2723  173.900   8.2723 0.000000 0.000000 
1 1 1   13    0   59 o   32.261   13.755   3.2288   6.1793   3.2288   6.1793   3.2288   6.1793   32.261   19.452   32.261   19.452 0.000000 0.000000 
1 1 1   13    0   60 o  170.391   6.1876   80.094   8.0084   80.094   8.0084   80.094   8.0084  170.391   8.7505  170.391   8.7505 0.000000 0.000000 
1 1 1   13    0   61 o  204.613   5.8888  115.183   9.1732  115.183   9.1732  115.183   9.1732  204.613   8.3280  204.613   8.3280 0.000000 0.000000 
1 1 1   13    0   62 o   66.306   16.176   16.565   7.3819   16.565   7.3819   16.565   7.3819   66.306   22.877   66.306   22.877 0.000000 0.000000 
1 1 1   13    0   63 o   80.948   15.147   22.269   8.0955   22.269   8.0955   22.269   8.0955   80.948   21.422   80.948   21.422 0.000000 0.000000 
1 1 1   13    0   64 o   46.702   17.104   10.475   7.8794   10.475   7.8794   10.475   7.8794   46.702   24.189   46.702   24.189 0.000000 0.000000 
1 1 1   13    0   65 o   68.842   16.572   18.220   7.8176   18.220   7.8176   18.220   7.8176   68.842   23.436   68.842   23.436 0.000000 0.000000 
1 1 1   13    0   66 o   82.684   14.603   23.789   7.9827   23.789   7.9827   23.789   7.9827   82.684   20.651   82.684   20.651 0.000000 0.000000 
1 1 1   13    1    0 o  437.239   5.6962  516.815   13.458  514.284   18.981  519.374   19.085  436.163   8.0535  438.315   8.0579 -2.152802 11.39246 
1 1 1   13    1    1 o  592.641   7.3701  949.792   23.600  956.724   33.633  943.068   33.124  594.769   10.465  590.513   10.381 4.255249 14.74013 
1 1 1   13    1    2 o  750.347   9.1407  1523.61   37.062  1523.44   52.438  1523.78   52.389  750.304   12.934  750.390   12.920 -0.8593750E-01 18.28133 
1 1 1   13    1    3 o  621.285   7.6876  1044.03   25.807  1051.53   36.773  1036.76   36.226  623.480   10.915  619.090   10.829 4.390137 15.37529 
1 1 1   13    1    4 o  467.315   6.0070  590.477   15.169  589.071   21.430  591.890   21.474  466.757   8.4966  467.873   8.4938 -1.115326 12.01406 
1 1 1   13    1    5 o  693.866   8.5061  1302.78   31.892  1306.26   45.250  1299.35   44.957  694.784   12.052  692.948   12.006 1.835999 17.01216 
1 1 1   13    1    6 o  912.979   11.008  2256.76   54.282  2296.46   78.170  2219.79   75.437  920.706   15.712  905.251   15.422 15.45581 22.01565 
1 1 1   13    1    7 o  389.304   7.3529  409.727   15.468   0.0000   0.0000  409.727   15.468  ?   ?   389.304   7.3529      ?      ? 
1 1 1   13    1    8 o  320.773   4.5564  277.998   7.8951  283.210   11.349  273.110   10.990  323.685   6.4887  317.862   6.3985 5.822327 9.112861 
1 1 1   13    1    9 o  247.863   3.9655  165.867   5.3082  160.420   7.3577  171.779   7.6656  243.625   5.5890  252.102   5.6270 -8.476746 7.930974 
1 1 1   13    1   10 o  350.862   4.8713  332.740   9.2349  336.807   13.172  328.809   12.951  352.970   6.9060  348.754   6.8722 4.215607 9.742686 
1 1 1   13    1   11 o  523.021   6.6547  739.672   18.803  749.945   26.949  729.927   26.248  526.555   9.4714  519.487   9.3505 7.067993 13.30934 
1 1 1   13    1   16 o  1109.07   13.324  3339.39   79.846  3371.53  113.933  3308.36  111.932  1114.29   18.922  1103.85   18.765 10.44336 26.64893 
1 1 1   13    1   17 o  350.267   4.8508  331.684   9.1812  330.908   12.961  332.465   13.008  349.856   6.8557  350.678   6.8645 -0.8218994 9.701631 
1 1 1   13    1   18 o  368.405   6.2134  366.182   11.591  364.547   14.097  369.595   20.363  367.202   7.1046  369.607   10.196 -2.404816 12.42673 
1 1 1   13    1   19 o  1184.38   17.420  3816.45  105.050  3822.07  182.074  3813.64  128.617  1183.58   28.468  1185.18   20.083 -1.592529 34.83916 
1 1 1   13    1   20 o  678.839   11.843  1246.96   43.441   0.0000   0.0000  1246.96   43.441  ?   ?   678.839   11.843      ?      ? 
1 1 1   13    1   21 o  976.384   14.434  2583.41   71.648  2576.78   87.532  2596.85  124.720  975.197   16.611  977.571   23.610 -2.373840 28.86791 
1 1 1   13    1   22 o  940.727   13.954  2389.58   66.402  2370.32   80.627  2430.18  117.066  935.481   15.950  945.973   22.902 -10.49200 27.90851 
1 1 1   13    1   23 f  504.331   6.4804  687.281   17.652  674.655   24.500  700.909   25.454  499.521   9.0768  509.141   9.2518 -9.619537 12.96086 
1 1 1   13    1   24 o  777.380   9.4968  1635.12   39.893  1637.25   56.446  1633.00   56.389  777.886   13.429  776.874   13.432 1.011719 18.99358 
1 1 1   13    1   25 o  335.594   4.8573  304.397   8.8082  306.343   12.479  302.465   12.435  336.663   6.8595  334.525   6.8789 2.137878 9.714503 
1 1 1   13    1   26 o  686.090   8.4816  1273.23   31.442  1264.21   44.133  1282.52   44.806  683.627   11.947  688.553   12.042 -4.926392 16.96323 
1 1 1   13    1   27 o  232.388   4.2558  145.852   5.3415  142.783   7.4140  149.165   7.7024  229.849   5.9693  234.928   6.0674 -5.079147 8.511499 
1 1 1   13    1   28 o  301.582   4.6846  245.518   7.6277  238.664   10.524  253.103   11.071  297.154   6.5539  306.009   6.6954 -8.854187 9.369228 
1 1 1   13    1   29 o  501.366   6.5243  678.835   17.661  699.923   25.623  659.750   24.376  508.770   9.3202  493.962   9.1324 14.80853 13.04867 
1 1 1   13    1   30 o  606.048   7.6424  993.435   25.025  985.177   35.067  1002.00   35.723  603.486   10.753  608.610   10.862 -5.124451 15.28470 
1 1 1   13    1   31 o  510.723   6.6609  704.008   18.354  680.651   25.118  730.765   26.884  501.662   9.2657  519.784   9.5716 -18.12180 13.32171 
1 1 1   13    1   32 o  606.683   7.6861  995.698   25.195  1006.30   35.945  985.455   35.325  609.855   10.908  603.510   10.832 6.344910 15.37223 
1 1 1   13    1   33 o  1068.02   12.881  3094.44   74.335  3109.60  105.606  3079.55  104.651  1070.61   18.254  1065.44   18.177 5.166260 25.76118 
1 1 1   13    1   34 o  821.205   10.071  1827.11   44.691  1832.32   63.364  1821.96   63.042  822.366   14.259  820.044   14.227 2.322327 20.14253 
1 1 1   13    1   35 o  803.369   9.8785  1747.89   42.871  1723.38   59.765  1773.87   61.532  797.586   13.867  809.152   14.073 -11.56567 19.75702 
1 1 1   13    1   36 o  398.310   5.7368  429.116   12.347  431.918   17.538  426.362   17.386  399.599   8.1219  397.021   8.1042 2.577667 11.47355 
1 1 1   13    1   37 o  671.632   8.4341  1221.42   30.600  1240.91   43.937  1203.05   42.643  676.821   12.013  666.443   11.841 10.37811 16.86821 
1 1 1   13    1   38 o  367.242   5.5095  364.406   10.926  378.529   15.802  351.471   15.124  374.049   7.8181  360.436   7.7650 13.61334 11.01897 
1 1 1   13    1   39 o  424.060   7.2107  481.839   15.520  502.703   27.351  471.932   18.848  430.566   11.756  417.554   8.3534 13.01178 14.42135 
1 1 1   13    1   40 o  485.839   9.2093  640.808   24.175  652.703   34.290  629.054   34.088  490.336   12.942  481.342   13.106 8.994019 18.41865 
1 1 1   13    1   41 o  282.280   7.1318  213.732   10.764  201.261   14.075  231.306   16.708  272.513   9.5579  292.046   10.588 -19.53259 14.26361 
1 1 1   13    1   42 o  183.635   7.8555   91.705   7.7792   85.248   11.025   98.108   10.978  177.153   11.517  190.117   10.686 -12.96394 15.71090 
1 1 1   13    1   43 o  306.500   7.3305  254.045   12.090  265.766   18.095  244.595   16.249  312.810   10.705  300.190   10.017 12.62009 14.66093 
1 1 1   13    1   44 f  219.939   6.5216  131.643   7.1251  130.428   12.901  132.176   8.5468  219.005   10.902  220.873   7.1610 -1.867081 13.04319 
1 1 1   13    1   45 o  357.507   5.4639  346.616   10.555  349.275   15.023  344.025   14.832  358.857   7.7474  356.157   7.7067 2.699890 10.92773 
1 1 1   13    1   46 o  364.621   5.5198  360.601   10.874  365.112   15.541  356.275   15.220  366.848   7.8398  362.394   7.7723 4.454254 11.03955 
1 1 1   13    1   47 o  352.648   5.4613  337.630   10.407  336.324   14.688  338.947   14.747  351.963   7.7227  353.333   7.7241 -1.369537 10.92252 
1 1 1   13    1   48 o  183.267   5.3150   91.253   5.2620   92.766   7.3957   89.702   7.4883  184.820   7.4053  181.714   7.6261 3.105865 10.62998 
1 1 1   13    1   49 o  218.739   5.0199  129.736   5.9269  138.625   8.5557  121.535   8.2182  225.946   7.0075  211.532   7.1897 14.41402 10.03980 
1 1 1   13    1   50 o  155.835   5.6744   66.065   4.7762   63.547   6.6523   68.745   6.8616  152.767   8.0585  158.903   7.9911 -6.136368 11.34884 
1 1 1   13    1   51 o  183.011   5.2580   91.180   5.1995   91.128   7.3948   91.232   7.3122  182.950   7.4801  183.071   7.3916 -0.1210175 10.51606 
1 1 1   13    1   52 o  269.676   5.0878  197.918   7.4118  191.475   10.358  204.678   10.611  265.171   7.2286  274.181   7.1616 -9.009766 10.17554 
1 1 1   13    1   53 o  183.915   5.4317   92.338   5.3963   95.604   7.6752   89.145   7.5886  187.154   7.5893  180.676   7.7727 6.477341 10.86340 
1 1 1   13    1   54 o   58.669   12.248   10.043   4.1505   10.034   5.8244   10.052   5.9162   58.632   17.238   58.706   17.404 -0.7438660E-01 24.49605 
1 1 1   13    1   55 o  349.793   5.5543  334.908   10.494  341.060   15.101  329.162   14.594  352.859   7.9198  346.727   7.7895 6.132355 11.10855 
1 1 1   13    1   56 o   79.128   10.298   18.088   4.2948   20.020   6.0534   16.129   6.0944   84.352   13.281   73.903   15.743 10.44837 20.59655 
1 1 1   13    1   57 o  107.655   7.9818   32.192   4.6017   38.568   6.7626   26.694   6.2798  117.728   10.630   97.582   11.909 20.14673 15.96352 
1 1 1   13    1   58 o  148.957   6.2941   61.354   5.0656   60.513   7.1836   62.186   7.1442  147.908   8.9880  150.006   8.8136 -2.097382 12.58828 
1 1 1   13    1   59 o  144.646   6.6499   58.177   5.1813   53.575   7.3831   62.643   7.2731  138.817   9.8426  150.476   8.9446 -11.65929 13.29975 
1 1 1   13    1   60 o  252.171   5.4710  175.383   7.4546  177.913   10.588  172.896   10.498  253.990   7.7145  250.353   7.7597 3.636856 10.94196 
1 1 1   13    1   61 o  147.788   7.1429   61.562   5.6827   64.917   7.8619   57.892   8.2233  152.317   9.5519  143.258   10.623 9.059540 14.28574 
1 1 1   13    1   62 o  122.490   8.8208   43.262   5.8341   42.808   8.0816   43.756   8.4309  121.950   12.264  123.030   12.682 -1.080460 17.64169 
1 1 1   13    1   63 o   76.645   19.796   19.068   8.2565   19.068   8.2565   0.0000   0.0000   76.645   19.796  ?   ?       ?      ? 
1 1 1   13    1   64 o   45.954   13.376   4.3223   5.5684   8.9038   7.9687  -0.0498   7.7844   52.564   20.104   39.343   17.651 13.22110 26.75279 
1 1 1   13    1   65 o  133.837   8.2882   52.232   5.9462   60.757   8.5717   44.325   8.2555  144.999   10.940  122.674   12.454 22.32593 16.57647 
1 1 1   13    1   66 o   40.021   12.308  -0.4891   5.3734   7.3344   7.7999  -7.5558   7.4130   48.949   19.544   31.093   14.965 17.85537 24.61520 
1 1 1   13    2    0 o  333.869   4.6728  301.216   8.4285  304.964   12.068  297.647   11.777  335.895   6.6490  331.843   6.5675 4.052429 9.345626 
1 1 1   13    2    1 o  210.649   3.6662  119.810   4.1706  114.149   5.8088  125.834   5.9918  205.518   5.2305  215.781   5.1387 -10.26294 7.332441 
1 1 1   13    2    2 o  354.189   4.8688  339.052   9.3177  334.423   13.078  343.824   13.279  351.735   6.8808  356.643   6.8902 -4.908905 9.737614 
1 1 1   13    2    3 o  431.506   5.6549  503.360   13.184  506.381   18.817  500.448   18.477  432.776   8.0464  430.236   7.9477 2.539276 11.30977 
1 1 1   13    2    4 o  764.307   9.3072  1581.20   38.439  1585.55   54.541  1576.91   54.182  765.348   13.188  763.266   13.137 2.082031 18.61441 
1 1 1   13    2    5 o  729.496   12.600  1440.28   49.667   0.0000   0.0000  1440.28   49.667  ?   ?   729.496   12.600      ?      ? 
1 1 1   13    2    6 o  709.407   8.6899  1361.61   33.305  1378.46   47.699  1345.57   46.523  713.683   12.368  705.132   12.210 8.550415 17.37973 
1 1 1   13    2    7 o  334.745   4.6934  302.905   8.4894  302.296   12.047  303.507   11.965  334.410   6.6666  335.080   6.6082 -0.6704102 9.386785 
1 1 1   13    2    8 o  429.832   7.9680  499.542   18.507   0.0000   0.0000  499.542   18.507  ?   ?   429.832   7.9680      ?      ? 
1 1 1   13    2    9 o  261.782   5.7464  185.228   8.1288   0.0000   0.0000  185.228   8.1288  ?   ?   261.782   5.7464      ?      ? 
1 1 1   13    2   10 o  406.183   5.4207  445.694   11.890  456.583   17.188  435.699   16.467  410.934   7.7403  401.431   7.5911 9.502472 10.84149 
1 1 1   13    2   11 o  506.463   6.4937  693.314   17.763  680.401   24.649  707.264   25.619  501.565   9.0947  511.360   9.2714 -9.795074 12.98738 
1 1 1   13    2   12 o  424.241   5.6102  485.752   12.849  511.863   18.643  462.125   17.734  435.080   7.9296  413.401   7.9385 21.67902 11.22047 
1 1 1   13    2   13 o  509.741   6.5247  702.313   17.952  692.062   24.731  713.731   26.100  505.824   9.0482  513.658   9.4031 -7.834778 13.04947 
1 1 1   13    2   14 o  451.603   8.2033  551.567   20.019  551.567   20.019   0.0000   0.0000  451.603   8.2033  ?   ?       ?      ? 
1 1 1   13    2   16 o  138.849   6.2980   52.117   4.7253   0.0000   0.0000   52.117   4.7253  ?   ?   138.849   6.2980      ?      ? 
1 1 1   13    2   17 o  1125.26   16.637  3431.04   94.684  3403.67  114.974  3488.74  166.909  1119.73   19.002  1130.79   27.316 -11.05469 33.27493 
1 1 1   13    2   18 o  383.615   6.4340  397.249   12.475  395.834   15.152  400.225   21.983  382.629   7.3281  384.601   10.578 -1.972351 12.86809 
1 1 1   13    2   19 o  364.015   6.2004  362.426   11.580  345.045   19.516  371.870   14.385  357.148   10.112  370.881   7.1780 -13.73367 12.40087 
1 1 1   13    2   20 o  253.548   5.8269  173.754   7.9834   0.0000   0.0000  173.754   7.9834  ?   ?   253.548   5.8269      ?      ? 
1 1 1   13    2   21 o  568.141   8.6665  881.798   25.551  842.793   42.041  904.644   32.175  557.955   13.944  578.328   10.296 -20.37323 17.33309 
1 1 1   13    2   22 o  376.022   6.2736  382.560   12.052  383.085   14.809  381.531   20.741  376.451   7.2800  375.594   10.219 0.8563843 12.54718 
1 1 1   13    2   23 o  884.763   13.201  2097.75   58.539  2059.30   70.333  2184.46  105.609  872.193   14.923  897.333   21.780 -25.13989 26.40197 
1 1 1   13    2   24 o  542.060   6.8941  794.391   20.191  789.401   28.310  799.558   28.806  540.330   9.6961  543.790   9.8030 -3.460327 13.78819 
1 1 1   13    2   25 o  555.419   7.0432  834.134   21.139  836.854   29.931  831.428   29.858  556.322   9.9564  554.515   9.9647 1.806702 14.08635 
1 1 1   13    2   26 o  510.524   6.5867  704.607   18.169  711.893   25.921  697.569   25.474  513.117   9.3486  507.931   9.2813 5.185760 13.17340 
1 1 1   13    2   27 o  813.166   9.9197  1789.64   43.588  1790.67   61.615  1788.61   61.671  813.402   14.018  812.931   14.039 0.4708252 19.83946 
1 1 1   13    2   28 o  364.115   5.1997  358.124   10.227  369.056   14.697  347.861   14.240  369.499   7.3608  358.732   7.3463 10.76724 10.39947 
1 1 1   13    2   29 o  648.407   8.0969  1136.62   28.355  1116.32   39.346  1158.55   40.898  642.397   11.335  654.417   11.565 -12.02069 16.19374 
1 1 1   13    2   30 f  454.539   6.0822  558.535   14.936  553.345   20.868  563.986   21.386  452.377   8.5368  456.701   8.6657 -4.323425 12.16434 
1 1 1   13    2   31 o  427.574   5.8533  494.298   13.523  501.110   19.240  487.647   19.011  430.485   8.2710  424.663   8.2846 5.822571 11.70655 
1 1 1   13    2   32 o  568.712   7.2959  874.596   22.414  861.295   31.216  888.753   32.203  564.256   10.238  573.169   10.397 -8.912292 14.59179 
1 1 1   13    2   33 o  434.411   5.9979  508.973   14.058  535.354   20.585  485.914   19.245  444.928   8.5620  423.894   8.4019 21.03476 11.99582 
1 1 1   13    2   34 o  644.836   8.1262  1124.88   28.305  1147.11   40.723  1104.10   39.369  650.989   11.577  638.683   11.407 12.30615 16.25240 
1 1 1   13    2   35 o  143.566   5.9603   55.797   4.6084   61.699   6.5731   50.090   6.4630  151.046   8.0532  136.085   8.7889 14.96196 11.92055 
1 1 1   13    2   36 o  362.593   5.4647  355.533   10.706  361.470   15.252  349.765   15.032  365.577   7.7207  359.608   7.7359 5.968628 10.92946 
1 1 1   13    2   37 o  1056.24   12.786  3031.43   72.958  3070.84  104.540  2994.00  101.868  1062.89   18.201  1049.59   17.961 13.29797 25.57116 
1 1 1   13    2   38 f  561.558   10.233  856.102   31.050  859.009   43.759  853.153   44.066  562.532   14.396  560.584   14.547 1.948486 20.46587 
1 1 1   13    2   39 o  150.550   7.6880   61.392   6.2184   61.081   8.3487   61.779   9.3196  150.147   10.290  150.953   11.425 -0.8065491 15.37597 
1 1 1   13    2   40 o  179.303   7.2485   87.050   6.9904   86.351   9.4246   87.905   10.423  178.528   9.7694  180.077   10.711 -1.549225 14.49705 
1 1 1   13    2   41 o  338.794   5.3108  310.460   9.7185  321.647   13.975  299.986   13.524  344.699   7.5031  332.889   7.5181 11.81021 10.62156 
1 1 1   13    2   42 o  305.487   6.2458  253.033   9.7270  253.200   11.925  252.703   16.814  305.800   7.2166  305.175   10.196 0.6253052 12.49166 
1 1 1   13    2   43 o  300.938   7.3708  245.704   11.969  250.000   17.456  241.892   16.444  303.386   10.648  298.491   10.195 4.894958 14.74160 
1 1 1   13    2   44 o  397.268   8.2408  428.809   17.655  442.117   25.951  417.342   24.089  402.927   11.919  391.610   11.383 11.31683 16.48158 
1 1 1   13    2   45 o  222.339   6.3677  129.640   6.9786  145.540   13.185  123.452   8.2251  231.269   10.551  213.409   7.1325 17.86008 12.73541 
1 1 1   13    2   46 o  520.914   6.9303  737.968   19.508  739.333   27.643  736.612   27.532  521.390   9.8116  520.437   9.7901 0.9528809 13.86057 
1 1 1   13    2   47 o  462.377   6.3808  581.353   15.939  590.010   22.843  573.139   22.250  465.712   9.0773  459.042   8.9701 6.669769 12.76166 
1 1 1   13    2   48 o  280.799   5.1244  214.019   7.7737  220.594   11.100  207.690   10.891  285.037   7.2065  276.560   7.2874 8.477661 10.24888 
1 1 1   13    2   49 o   77.536   10.086   16.831   4.1079   13.603   5.6480   20.456   5.9855   68.791   15.558   86.282   12.838 -17.49122 20.17122 
1 1 1   13    2   50 o  352.595   5.4830  338.223   10.444  331.885   14.561  344.939   14.988  349.207   7.7165  355.983   7.7916 -6.775818 10.96599 
1 1 1   13    2   51 o  197.764   5.2576  106.471   5.6183  105.489   7.9064  107.473   7.9852  196.843   7.4331  198.685   7.4376 -1.841995 10.51517 
1 1 1   13    2   52 o  384.872   5.7644  404.260   11.988  402.981   16.905  405.555   17.003  384.264   8.1412  385.480   8.1629 -1.215271 11.52876 
1 1 1   13    2   53 o  164.593   5.7557   74.200   5.1095   78.061   7.1521   70.175   7.3022  169.047   7.8296  160.140   8.4385 8.906326 11.51133 
1 1 1   13    2   54 o  243.616   5.2210  162.050   6.8720  161.870   9.6332  162.238   9.8060  243.500   7.3212  243.733   7.4454 -0.2333832 10.44197 
1 1 1   13    2   55 o  190.671   5.4701   99.482   5.6346   97.114   7.8677  101.975   8.0733  188.345   7.7305  192.997   7.7412 -4.652588 10.94017 
1 1 1   13    2   56 o  298.817   5.3154  244.447   8.5820  240.702   12.043  248.310   12.233  296.493   7.5166  301.142   7.5177 -4.648590 10.63082 
1 1 1   13    2   57 o  281.248   5.2936  216.837   8.0412  214.523   11.177  219.321   11.577  279.743   7.3940  282.753   7.5774 -3.009369 10.58719 
1 1 1   13    2   58 o  137.225   6.7088   52.223   4.9738   53.582   7.0840   50.902   6.9851  139.007   9.4309  135.443   9.5440 3.562988 13.41753 
1 1 1   13    2   59 o  150.431   6.4417   62.683   5.2018   53.686   7.2328   72.323   7.4866  139.031   9.6274  161.831   8.5612 -22.79939 12.88332 
1 1 1   13    2   60 o  106.050   8.5082   31.965   4.8681   33.698   6.8531   30.200   6.9163  109.127   11.622  102.974   12.430 6.153099 17.01642 
1 1 1   13    2   61 o   60.415   12.209   10.761   4.9558   19.252   6.8782   1.5935   7.1466   78.981   16.641   41.848   17.868 37.13313 24.41743 
1 1 1   13    2   62 o   64.011   14.037   13.246   5.4536   16.027   7.6621   10.391   7.7639   70.175   19.504   57.846   20.193 12.32961 28.07416 
1 1 1   13    2   63 o  200.805   6.5673  112.617   7.1149  104.331   9.8282  121.741   10.313  192.957   9.4260  208.653   9.1471 -15.69659 13.13460 
1 1 1   13    2   64 o   71.080   12.229   16.701   5.5209   28.726   7.9251   5.3629   7.6955   95.814   15.307   46.346   19.075 49.46745 24.45712 
1 1 1   13    2   65 o  116.560   9.2149   40.370   5.8020   41.760   8.2543   39.013   8.1571  118.671   12.872  114.448   13.190 4.222786 18.42988 
1 1 1   13    3    0 o  255.092   4.0498  175.891   5.5815  174.616   7.9426  177.134   7.8453  254.178   5.7828  256.006   5.6711 -1.827728 8.099520 
1 1 1   13    3    1 o  759.458   13.090  1561.16   53.720   0.0000   0.0000  1561.16   53.720  ?   ?   759.458   13.090      ?      ? 
1 1 1   13    3    2 o  403.767   7.5935  440.743   16.568   0.0000   0.0000  440.743   16.568  ?   ?   403.767   7.5935      ?      ? 
1 1 1   13    3    4 o  359.980   4.9644  349.700   9.6474  336.792   13.289  364.084   14.028  352.970   6.9674  366.990   7.0737 -14.02005 9.928830 
1 1 1   13    3    5 o  756.494   9.2333  1549.02   37.743  1539.08   53.079  1559.18   53.678  754.043   13.027  758.945   13.089 -4.901306 18.46660 
1 1 1   13    3    6 o  237.057   3.9275  151.465   5.0208  158.195   7.3927  145.703   6.8403  241.930   5.6549  232.184   5.4520 9.746033 7.855085 
1 1 1   13    3    7 f  483.669   6.2255  632.447   16.268  623.471   22.756  641.830   23.266  480.162   8.7705  487.176   8.8378 -7.014648 12.45107 
1 1 1   13    3    8 o  119.485   3.6227   38.173   2.3252   44.327   3.4862   33.241   3.1207  128.068   5.0375  110.902   5.2075 17.16597 7.245306 
1 1 1   13    3    9 o  966.146   11.659  2529.78   60.860  2502.10   85.173  2558.66   86.994  960.763   16.406  971.529   16.571 -10.76648 23.31828 
1 1 1   13    3   10 o  682.197   10.429  1240.58   35.403  1210.13   42.228  1312.61   64.951  668.679   11.687  695.716   17.277 -27.03772 20.85834 
1 1 1   13    3   11 f  482.710   12.689  630.856   33.097   0.0000   0.0000  630.856   33.097  ?   ?   482.710   12.689      ?      ? 
1 1 1   13    3   12 o  132.051   6.2760   47.138   4.4783   0.0000   0.0000   47.138   4.4783  ?   ?   132.051   6.2760      ?      ? 
1 1 1   13    3   14 o  765.039   13.321  1585.49   55.071   0.0000   0.0000  1585.49   55.071  ?   ?   765.039   13.321      ?      ? 
1 1 1   13    3   15 o  675.412   11.878  1235.00   43.350   0.0000   0.0000  1235.00   43.350  ?   ?   675.412   11.878      ?      ? 
1 1 1   13    3   16 o  776.446   13.523  1632.85   56.739   0.0000   0.0000  1632.85   56.739  ?   ?   776.446   13.523      ?      ? 
1 1 1   13    3   17 o  805.465   11.992  1779.81   50.250  1839.11   63.629  1681.53   81.914  823.939   14.291  786.992   19.262 36.94720 23.98459 
1 1 1   13    3   18 o   97.686   5.2383   23.220   2.3205   30.698   5.1647   21.329   2.5974  106.539   8.9711   88.833   5.4111 17.70645 10.47667 
1 1 1   13    3   19 o  464.639   7.4704  583.002   17.570  586.937   30.868  581.117   21.369  465.696   12.266  463.582   8.5303 2.113922 14.94090 
1 1 1   13    3   20 o  339.061   4.7921  310.763   8.7798  311.869   12.391  309.647   12.442  339.667   6.7507  338.454   6.8033 1.213196 9.584206 
1 1 1   13    3   21 o  902.083   13.390  2196.20   61.172  2236.26  107.634  2177.09   74.347  907.573   21.947  896.592   15.345 10.98157 26.77995 
1 1 1   13    3   22 o  981.879   11.835  2610.39   62.774  2653.25   90.232  2570.19   87.387  989.665   16.873  974.093   16.602 15.57159 23.67095 
1 1 1   13    3   23 o  938.756   13.967  2368.11   66.072  2332.35   79.818  2445.95  117.768  928.131   15.915  949.381   22.956 -21.25006 27.93326 
1 1 1   13    3   24 o  292.011   4.5219  230.365   7.1326  239.475   10.191  221.616   9.9864  297.669   6.3356  286.353   6.4538 11.31592 9.043899 
1 1 1   13    3   25 o  619.920   7.7559  1039.28   25.980  1045.45   36.906  1033.22   36.579  621.743   10.985  618.097   10.952 3.646545 15.51173 
1 1 1   13    3   26 o  884.870   10.732  2119.73   51.315  2124.42   72.696  2115.07   72.447  885.846   15.187  883.895   15.168 1.950562 21.46403 
1 1 1   13    3   27 o  1180.41   14.148  3777.85   90.243  3772.58  127.397  3783.16  127.850  1179.58   19.987  1181.23   20.030 -1.644287 28.29615 
1 1 1   13    3   28 o  344.339   5.0485  320.487   9.3933  325.228   13.328  315.808   13.241  346.870   7.1106  341.809   7.1687 5.061493 10.09709 
1 1 1   13    3   29 o  442.311   5.9693  528.813   14.264  523.056   19.914  534.878   20.441  439.842   8.3786  444.781   8.5047 -4.938446 11.93867 
1 1 1   13    3   30 o  454.204   6.0940  557.858   14.957  559.729   21.114  555.974   21.190  454.970   8.5881  453.438   8.6481 1.531189 12.18792 
1 1 1   13    3   31 o  670.976   8.3754  1217.98   30.359  1238.53   43.553  1198.57   42.340  676.470   11.915  665.482   11.774 10.98785 16.75072 
1 1 1   13    3   32 o  652.594   8.1896  1150.20   28.834  1114.26   39.464  1191.36   42.231  641.698   11.381  663.492   11.779 -21.79395 16.37912 
1 1 1   13    3   33 o  468.357   6.2996  593.276   15.943  598.070   22.591  588.520   22.503  470.243   8.8906  466.471   8.9273 3.771362 12.59919 
1 1 1   13    3   34 o  767.468   9.4747  1594.40   39.277  1625.58   56.543  1565.33   54.599  774.699   13.507  760.236   13.291 14.46265 18.94946 
1 1 1   13    3   35 o  405.199   5.7769  443.500   12.640  458.992   18.293  429.344   17.486  411.960   8.2176  398.438   8.1217 13.52258 11.55382 
1 1 1   13    3   36 o  240.339   5.7961  154.876   7.3414  162.365   11.891  150.264   9.3323  244.963   8.9833  235.715   7.3268 9.247604 11.59229 
1 1 1   13    3   37 o  607.436   10.882  1001.37   35.719  1004.73   50.402  997.973   50.629  608.472   15.329  606.401   15.451 2.070679 21.76480 
1 1 1   13    3   38 o  726.226   12.762  1436.14   50.080  1443.02   70.887  1429.28   70.762  727.971   18.020  724.481   18.075 3.490906 25.52345 
1 1 1   13    3   39 o  417.726   5.9488  472.348   13.426  472.127   18.815  472.577   19.163  417.633   8.3374  417.818   8.4877 -0.1849060 11.89764 
1 1 1   13    3   40 o  365.187   5.5074  359.981   10.852  379.658   15.883  342.753   14.861  374.516   7.8483  355.858   7.7285 18.65805 11.01474 
1 1 1   13    3   41 o  160.245   5.6057   69.749   4.8293   78.055   6.8430   61.507   6.8164  169.800   7.4579  150.691   8.3711 19.10942 11.21139 
1 1 1   13    3   42 o  308.790   5.1519  257.406   8.5807  245.498   11.709  271.221   12.611  301.108   7.1963  316.473   7.3745 -15.36520 10.30383 
1 1 1   13    3   43 o  396.303   7.0396  427.025   14.216  428.385   17.434  424.324   24.560  397.561   8.1152  395.046   11.505 2.515747 14.07929 
1 1 1   13    3   44 o  106.967   12.336   32.951   6.6715   21.376   9.4299   44.550   9.4399   86.220   20.534  127.715   13.678 -41.49530 24.67282 
1 1 1   13    3   45 o  123.449   9.9385   41.993   6.5808   37.725   9.5471   45.856   9.0836  117.316   15.060  129.581   12.973 -12.26519 19.87697 
1 1 1   13    3   46 o  316.079   5.2638  270.649   8.9846  280.893   12.994  261.264   12.437  321.798   7.4725  310.360   7.4157 11.43805 10.52764 
1 1 1   13    3   47 o  290.404   5.1223  228.874   8.0379  230.456   11.418  227.319   11.317  291.398   7.2513  289.411   7.2367 1.987427 10.24457 
1 1 1   13    3   48 o  133.439   6.3816   48.409   4.5971   45.625   6.3719   51.430   6.6388  129.434   9.1103  137.443   8.9388 -8.008209 12.76319 
1 1 1   13    3   49 o  299.732   5.2056  244.090   8.4307  246.656   12.005  241.594   11.842  301.283   7.3742  298.181   7.3495 3.102142 10.41123 
1 1 1   13    3   50 o  281.431   5.1408  215.288   7.8148  223.952   11.199  207.064   10.910  286.959   7.2220  275.903   7.3181 11.05658 10.28163 
1 1 1   13    3   51 o  342.805   5.4300  319.911   10.054  327.145   14.489  313.195   13.962  346.518   7.7380  339.092   7.6198 7.425415 10.85995 
1 1 1   13    3   52 o  113.215   7.3231   35.242   4.4757   36.339   6.2641   34.099   6.3974  115.066   10.074  111.364   10.631 3.701492 14.64612 
1 1 1   13    3   53 o  383.166   5.7824  401.169   11.967  413.686   17.243  389.539   16.621  388.911   8.2051  377.421   8.1500 11.49039 11.56481 
1 1 1   13    3   54 f   83.870   9.8512   20.214   4.2565   14.790   5.9246   26.000   6.1193   70.953   15.852   96.786   11.700 -25.83308 19.70239 
1 1 1   13    3   55 o  152.255   6.1155   63.584   5.0277   60.575   6.9660   66.855   7.2637  148.492   8.6815  156.019   8.6158 -7.527390 12.23109 
1 1 1   13    3   56 o  148.008   6.2147   60.298   4.9702   60.474   7.0023   60.120   7.0557  148.239   8.7417  147.776   8.8359 0.4628143 12.42938 
1 1 1   13    3   57 o  108.886   8.0155   33.150   4.7155   33.865   6.6811   32.441   6.6564  110.089   11.231  107.683   11.439 2.406281 16.03104 
1 1 1   13    3   58 o  102.912   8.5561   29.950   4.7245   34.142   6.7191   25.851   6.6443  110.342   11.269   95.482   12.878 14.86031 17.11218 
1 1 1   13    3   59 o  111.830   8.1949   35.168   4.9511   34.414   6.9219   35.959   7.0848  110.605   11.581  113.055   11.597 -2.449600 16.38970 
1 1 1   13    3   60 o  252.193   5.5516  175.123   7.5548  167.340   10.353  183.989   11.049  246.262   7.7800  258.124   7.9217 -11.86163 11.10321 
1 1 1   13    3   61 o   60.209   13.806   11.487   5.1298   11.320   7.0693   11.672   7.4553   59.817   19.253   60.601   19.792 -0.7840385 27.61168 
1 1 1   13    3   62 o  154.330   7.3452   67.437   6.1100   71.181   8.5299   63.493   8.7563  159.031   9.9260  149.629   10.830 9.402115 14.69042 
1 1 1   13    3   63 o  105.790   11.089   34.155   6.0423   40.632   8.4336   27.324   8.6610  118.258   13.197   93.322   17.825 24.93610 22.17892 
1 1 1   13    3   64 o   54.782   14.036   10.181   5.3780   11.590   7.6232   8.7854   7.5881   57.522   20.013   52.042   19.686 5.480453 28.07285 
1 1 1   13    3   65 o   62.226   14.058   13.447   5.3459   12.748   7.6354   14.118   7.4872   60.667   20.041   63.785   19.721 -3.117859 28.11651 
1 1 1   13    4    0 o  638.196   7.9293  1101.71   27.341  1088.77   38.299  1115.17   39.045  634.375   11.173  642.016   11.255 -7.640869 15.85852 
1 1 1   13    4    1 o  271.929   4.2368  199.866   6.2251  196.475   8.7858  203.285   8.8216  269.612   6.0305  274.246   5.9527 -4.634460 8.473627 
1 1 1   13    4    2 o  987.177   11.897  2640.73   63.458  2615.83   88.963  2666.53   90.544  982.451   16.758  991.902   16.893 -9.451111 23.79466 
1 1 1   13    4    3 o  211.305   5.4229  120.675   6.1919   0.0000   0.0000  120.675   6.1919  ?   ?   211.305   5.4229      ?      ? 
1 1 1   13    4    6 o  375.288   7.2458  380.760   14.694   0.0000   0.0000  380.760   14.694  ?   ?   375.288   7.2458      ?      ? 
1 1 1   13    4    8 o  587.693   7.4180  934.283   23.554  926.041   33.008  942.835   33.623  585.056   10.441  590.330   10.540 -5.273865 14.83595 
1 1 1   13    4    9 o  275.424   4.3598  205.013   6.4858  206.405   9.3241  203.708   9.0278  276.328   6.2445  274.520   6.0858 1.807678 8.719549 
1 1 1   13    4   10 o  931.353   13.840  2361.44   65.923  2374.81   81.196  2335.58  112.924  935.979   16.054  926.727   22.550 9.251953 27.68075 
1 1 1   13    4   11 o  430.901   7.1655  503.315   15.669  505.166   19.137  499.549   27.293  432.208   8.1941  429.594   11.757 2.613647 14.33102 
1 1 1   13    4   12 o  331.809   7.0133  297.671   12.575   0.0000   0.0000  297.671   12.575  ?   ?   331.809   7.0133      ?      ? 
1 1 1   13    4   15 o  670.074   11.868  1215.44   42.972   0.0000   0.0000  1215.44   42.972  ?   ?   670.074   11.868      ?      ? 
1 1 1   13    4   17 o  327.271   6.8497  289.646   12.112  294.595   17.319  284.910   16.944  330.005   9.7119  324.538   9.6620 5.467712 13.69944 
1 1 1   13    4   18 o  298.715   5.5941  246.272   8.5575  224.932   14.307  258.160   10.678  288.392   9.1808  309.038   6.3944 -20.64600 11.18818 
1 1 1   13    4   19 f  237.041   3.9520  151.551   5.0567  160.665   7.3377  143.308   6.9783  243.814   5.5695  230.268   5.6083 13.54633 7.903911 
1 1 1   13    4   20 o  924.292   15.823  2314.15   79.029   0.0000   0.0000  2314.15   79.029  ?   ?   924.292   15.823      ?      ? 
1 1 1   13    4   21 o  414.408   5.5604  463.978   12.447  474.969   17.905  453.702   17.315  419.153   7.9053  409.664   7.8216 9.488770 11.12077 
1 1 1   13    4   22 o  561.076   8.6319  847.747   24.649  863.288   42.965  840.123   30.094  564.771   14.079  557.381   9.9917 7.389221 17.26382 
1 1 1   13    4   23 o  320.516   4.7144  277.668   8.1647  278.608   11.495  276.712   11.599  321.064   6.6255  319.968   6.7087 1.095886 9.428891 
1 1 1   13    4   24 o  577.334   8.8322  908.671   26.372  926.611   33.011  877.027   43.843  585.377   10.436  569.291   14.252 16.08636 17.66445 
1 1 1   13    4   25 o  232.780   6.1921  146.449   7.7889   0.0000   0.0000  146.449   7.7889  ?   ?   232.780   6.1921      ?      ? 
1 1 1   13    4   26 o  399.800   5.5108  431.562   11.897  445.980   17.228  418.420   16.448  406.174   7.8494  393.427   7.7370 12.74713 11.02151 
1 1 1   13    4   27 o  629.089   7.8808  1068.61   26.757  1105.86   39.029  1035.58   36.754  639.404   11.296  618.774   10.992 20.63025 15.76159 
1 1 1   13    4   28 o  710.308   8.7886  1364.90   33.729  1378.12   48.137  1352.15   47.276  713.683   12.482  706.934   12.376 6.748352 17.57728 
1 1 1   13    4   29 o  155.769   4.7366   65.862   3.9695   71.502   5.5435   59.927   5.6866  162.646   6.3074  148.892   7.0679 13.75351 9.473102 
1 1 1   13    4   30 o  633.638   7.9750  1085.96   27.299  1104.46   39.153  1068.47   38.082  638.880   11.341  628.395   11.215 10.48511 15.95000 
1 1 1   13    4   31 o  564.635   7.2449  862.281   22.102  874.069   31.572  850.953   30.951  568.416   10.279  560.854   10.213 7.562134 14.48978 
1 1 1   13    4   32 o  518.074   6.7754  725.977   18.968  728.104   26.827  723.851   26.821  518.833   9.5689  517.314   9.5947 1.518921 13.55077 
1 1 1   13    4   33 f  461.815   6.2563  576.841   15.612  578.240   22.066  575.438   22.093  462.376   8.8316  461.253   8.8638 1.123474 12.51256 
1 1 1   13    4   34 o  684.640   10.509  1249.52   36.046  1325.45   65.355  1216.32   43.212  698.976   17.303  670.304   11.930 28.67194 21.01741 
1 1 1   13    4   35 o  696.193   12.222  1312.50   45.893  1370.05   67.430  1262.84   62.640  710.317   17.568  682.069   16.996 28.24847 24.44323 
1 1 1   13    4   36 o  310.913   6.9042  261.179   11.589  276.126   16.772  247.523   16.032  319.413   9.7173  302.412   9.8105 17.00098 13.80834 
1 1 1   13    4   37 o  476.025   7.7676  619.882   19.172  636.606   24.124  591.216   31.584  484.997   9.2051  467.053   12.514 17.94443 15.53527 
1 1 1   13    4   38 o  151.284   5.7992   62.072   4.7292   66.490   6.6510   57.554   6.7260  156.751   7.8521  145.817   8.5361 10.93420 11.59830 
1 1 1   13    4   39 o  582.550   7.5044  919.314   23.616  936.734   33.914  902.916   32.905  587.894   10.676  577.206   10.550 10.68860 15.00885 
1 1 1   13    4   40 o  223.956   5.0551  135.748   6.1144  136.347   8.5219  135.113   8.7780  224.472   7.0256  223.441   7.2702 1.030441 10.11016 
1 1 1   13    4   41 o  397.104   5.7400  426.581   12.309  442.655   17.802  411.859   17.037  404.258   8.1495  389.950   8.0854 14.30811 11.47993 
1 1 1   13    4   42 o  276.697   5.0150  207.247   7.4967  213.281   10.696  201.422   10.510  280.658   7.0529  272.737   7.1314 7.921204 10.02995 
1 1 1   13    4   43 o  221.343   5.0022  132.413   5.9759  141.273   8.6710  124.399   8.2474  228.383   7.0262  214.303   7.1220 14.07988 10.00447 
1 1 1   13    4   44 o  186.653   7.9358   94.570   7.9884  103.243   11.630   86.824   10.991  194.752   11.052  178.555   11.392 16.19743 15.87168 
1 1 1   13    4   45 o  131.237   9.9576   47.144   7.0407   46.914   10.346   47.342   9.6087  130.874   14.630  131.601   13.512 -0.7270966 19.91519 
1 1 1   13    4   46 o  284.744   6.6014  221.485   9.3217  217.928   16.894  223.041   11.177  282.723   11.058  286.764   7.2130 -4.041016 13.20272 
1 1 1   13    4   47 o  280.179   5.0989  212.000   7.6996  229.344   11.392  197.413   10.447  290.668   7.2530  269.690   7.1687 20.97791 10.19785 
1 1 1   13    4   48 o  237.669   5.0488  153.297   6.4824  157.216   9.2969  149.589   9.0432  240.622   7.1502  234.716   7.1300 5.905930 10.09763 
1 1 1   13    4   49 o  341.261   5.4371  316.115   10.016  329.698   14.568  303.937   13.794  348.186   7.7429  334.336   7.6353 13.84933 10.87428 
1 1 1   13    4   50 o   82.323   9.7447   19.213   4.1321   13.812   5.7213   25.103   5.9742   69.090   15.683   95.557   11.570 -26.46690 19.48931 
1 1 1   13    4   51 o   73.477   10.451   15.761   4.0872   23.267   5.8314   8.5131   5.7302   91.897   11.743   55.057   17.291 36.84021 20.90131 
1 1 1   13    4   52 o  186.737   5.4184   95.095   5.4623  100.804   7.7927   89.581   7.6588  192.283   7.4999  181.191   7.8223 11.09181 10.83684 
1 1 1   13    4   53 o  157.874   6.0225   68.301   5.1336   70.447   7.1996   66.081   7.3220  160.451   8.3038  155.298   8.7253 5.153442 12.04507 
1 1 1   13    4   54 o  144.132   6.4092   57.037   4.9896   55.565   6.9326   58.620   7.1870  142.215   9.0212  146.049   9.1067 -3.834595 12.81849 
1 1 1   13    4   55 f  133.454   6.8192   49.159   4.9135   47.320   6.9899   50.957   6.9083  130.916   9.8807  135.992   9.4009 -5.076035 13.63838 
1 1 1   13    4   56 o  177.851   8.4617   86.988   8.1321   0.0000   0.0000   86.988   8.1321  ?   ?   177.851   8.4617      ?      ? 
1 1 1   13    4   57 f   92.065   9.7197   24.084   4.8194   26.713   6.9207   21.610   6.7152   97.121   13.187   87.008   14.283 10.11304 19.43941 
1 1 1   13    4   58 o   47.803   11.525   3.6910   4.4198  -4.8074   6.2102   12.414   6.2917   31.823   14.821   63.784   17.654 -31.96087 23.05063 
1 1 1   13    4   59 o  292.636   5.4948  235.824   8.6884  239.143   12.310  232.528   12.265  294.718   7.7294  290.555   7.8120 4.162903 10.98956 
1 1 1   13    4   60 o   81.954   11.678   20.806   5.1465   10.362   7.1787   31.850   7.3821   58.404   19.439  105.503   12.949 -47.09932 23.35656 
1 1 1   13    4   61 o  156.012   7.0387   68.607   5.9311   68.044   8.2493   69.210   8.5335  155.435   9.8215  156.588   10.085 -1.152618 14.07738 
1 1 1   13    4   62 o  120.528   13.283   42.127   8.6510   0.0000   0.0000   42.127   8.6510  ?   ?   120.528   13.283      ?      ? 
1 1 1   13    4   63 o   85.807   12.525   23.566   5.7478   32.390   8.1902   15.003   8.0686  104.495   14.505   67.118   20.423 37.37720 25.04931 
1 1 1   13    4   64 o   43.929   11.568  -2.8290   5.2092   14.056   7.3850 -19.5498   7.3490   63.371   19.585   24.487   12.318 38.88438 23.13651 
1 1 1   13    4   65 o   77.841   14.461   22.655   6.2607   17.516   10.385   25.590   7.8470   67.305   23.362   88.378   17.049 -21.07281 28.92179 
1 1 1   13    5    0 o  227.541   4.0469  139.989   4.9730  138.263   7.1314  141.623   6.9383  226.173   5.8350  228.908   5.6092 -2.735580 8.093901 
1 1 1   13    5    1 o  524.170   6.7066  742.943   18.992  750.199   27.183  736.023   26.546  526.666   9.5517  521.674   9.4170 4.992065 13.41327 
1 1 1   13    5    2 o  700.737   8.6395  1328.91   32.713  1333.33   46.469  1324.56   46.060  701.889   12.252  699.585   12.184 2.304260 17.27892 
1 1 1   13    5    3 o  178.230   3.9098   85.795   3.7625   87.313   5.4492   84.411   5.2013  179.735   5.6107  176.725   5.4466 3.009888 7.819543 
1 1 1   13    5    4 o  665.064   8.2461  1196.68   29.629  1209.48   42.413  1184.48   41.408  668.529   11.741  661.599   11.582 6.929504 16.49228 
1 1 1   13    5    5 o  694.373   8.5786  1304.70   32.182  1318.00   46.057  1292.02   44.987  697.820   12.214  690.926   12.049 6.894348 17.15724 
1 1 1   13    5    6 o  548.393   6.9749  813.341   20.665  820.887   29.566  806.132   28.895  550.875   9.9322  545.911   9.7953 4.964355 13.94980 
1 1 1   13    5    7 o  675.252   8.3656  1233.91   30.521  1244.20   43.574  1224.00   42.764  678.009   11.893  672.496   11.768 5.513184 16.73119 
1 1 1   13    5    9 o  287.228   4.5000  223.042   6.9837  220.204   9.9029  225.851   9.8501  285.408   6.4211  289.048   6.3064 -3.639587 9.000072 
1 1 1   13    5   10 o  1030.95   17.609  2883.75   98.097   0.0000   0.0000  2883.75   98.097  ?   ?   1030.95   17.609      ?      ? 
1 1 1   13    5   13 o  393.811   7.8919  419.396   16.794   0.0000   0.0000  419.396   16.794  ?   ?   393.811   7.8919      ?      ? 
1 1 1   13    5   16 o  923.856   15.977  2313.64   79.763   0.0000   0.0000  2313.64   79.763  ?   ?   923.856   15.977      ?      ? 
1 1 1   13    5   17 f  196.126   4.9378  102.785   4.6674  106.644   8.9984  101.365   5.4593  198.590   8.3854  193.662   5.2168 4.928116 9.875680 
1 1 1   13    5   18 o  266.682   5.9206  192.225   8.5320   0.0000   0.0000  192.225   8.5320  ?   ?   266.682   5.9206      ?      ? 
1 1 1   13    5   19 o  537.412   9.6763  781.074   28.100   0.0000   0.0000  781.074   28.100  ?   ?   537.412   9.6763      ?      ? 
1 1 1   13    5   20 o  666.816   11.691  1202.98   42.125   0.0000   0.0000  1202.98   42.125  ?   ?   666.816   11.691      ?      ? 
1 1 1   13    5   21 o  642.445   11.313  1116.43   39.272   0.0000   0.0000  1116.43   39.272  ?   ?   642.445   11.313      ?      ? 
1 1 1   13    5   22 o  714.287   8.8220  1372.70   33.901  1457.83   50.897  1304.81   45.450  734.059   12.831  694.516   12.110 39.54321 17.64398 
1 1 1   13    5   23 o  583.428   8.9965  906.516   26.320  959.009   47.623  883.432   31.581  595.269   14.805  571.586   10.225 23.68353 17.99296 
1 1 1   13    5   24 o  296.673   5.4105  239.411   8.3829  243.922   10.628  231.982   13.638  300.414   6.5468  292.932   8.6157 7.482330 10.82090 
1 1 1   13    5   25 o  432.457   11.332  505.856   26.481   0.0000   0.0000  505.856   26.481  ?   ?   432.457   11.332      ?      ? 
1 1 1   13    5   26 o  626.902   7.8704  1062.99   26.661  1065.38   37.759  1060.61   37.652  627.606   11.134  626.198   11.127 1.407532 15.74082 
1 1 1   13    5   27 o  346.944   5.0844  325.353   9.5308  324.363   13.364  326.378   13.596  346.408   7.1393  347.480   7.2411 -1.072021 10.16875 
1 1 1   13    5   28 o  241.489   4.4908  157.663   5.8586  161.087   8.2598  154.197   8.3111  244.129   6.2613  238.848   6.4395 5.280701 8.981668 
1 1 1   13    5   29 o  793.641   9.7380  1705.30   41.762  1709.44   59.170  1701.18   58.951  794.600   13.780  792.681   13.763 1.918396 19.47597 
1 1 1   13    5   30 o  310.666   4.9393  260.903   8.2912  265.058   11.768  256.807   11.684  313.123   6.9550  308.209   7.0152 4.913849 9.878528 
1 1 1   13    5   31 o  503.427   6.6509  681.999   18.030  726.221   26.893  645.890   24.301  518.165   9.6047  488.689   9.2025 29.47617 13.30170 
1 1 1   13    5   32 o  372.628   7.3780  375.684   14.855  376.577   20.911  374.775   21.108  373.078   10.373  372.178   10.495 0.8996887 14.75610 
1 1 1   13    5   33 o  118.589   7.5756   38.096   4.8484   39.054   6.7442   37.072   6.9750  120.138   10.389  117.039   11.029 3.099220 15.15114 
1 1 1   13    5   34 o  813.021   14.066  1788.10   61.588  1888.74   91.772  1705.63   83.074  833.631   20.373  792.410   19.401 41.22168 28.13279 
1 1 1   13    5   35 o  325.382   6.1654  288.969   10.439  296.229   13.191  276.802   17.076  330.961   7.3759  319.803   9.8815 11.15848 12.33081 
1 1 1   13    5   36 o  630.635   8.0063  1076.05   27.266  1103.56   39.421  1050.82   37.753  638.341   11.428  622.929   11.216 15.41187 16.01258 
1 1 1   13    5   38 o  618.935   7.8796  1037.75   26.342  1059.41   37.948  1017.61   36.595  625.147   11.234  612.722   11.053 12.42468 15.75928 
1 1 1   13    5   39 f  518.097   6.8615  726.603   19.199  744.370   27.713  710.206   26.623  524.171   9.7841  512.023   9.6223 12.14728 13.72291 
1 1 1   13    5   40 o  115.405   6.8787   35.890   4.2731   31.841   5.8214   40.621   6.2923  108.380   9.9401  122.431   9.5111 -14.05105 13.75746 
1 1 1   13    5   41 o  177.272   5.2883   85.177   5.0606   88.940   7.1215   81.338   7.1925  181.242   7.2715  173.302   7.6804 7.939774 10.57660 
1 1 1   13    5   42 o  229.995   5.0239  143.264   6.2420  143.923   8.7352  142.578   8.9228  230.542   7.0119  229.449   7.1966 1.093140 10.04780 
1 1 1   13    5   43 o  492.556   6.6203  658.155   17.613  671.669   25.375  645.591   24.466  497.413   9.4406  487.699   9.2837 9.713562 13.24053 
1 1 1   13    5   44 o  322.623   6.6595  281.323   10.726  278.944   12.878  286.712   19.383  320.751   7.4299  324.496   11.054 -3.745575 13.31894 
1 1 1   13    5   45 o  447.224   9.0806  544.888   21.900  567.568   32.236  525.450   29.844  455.750   13.090  438.699   12.589 17.05084 18.16118 
1 1 1   13    5   46 o  236.572   7.7545  151.016   9.8571  174.122   14.799  132.590   13.215  252.689   10.838  220.455   11.094 32.23389 15.50909 
1 1 1   13    5   47 o  276.335   5.1132  207.324   7.6347  209.858   10.794  204.787   10.800  278.033   7.1847  274.636   7.2774 3.396332 10.22645 
1 1 1   13    5   48 f  268.308   5.0451  195.365   7.3120  200.605   10.514  190.458   10.176  271.784   7.1591  264.831   7.1106 6.953247 10.09025 
1 1 1   13    5   49 o  221.851   5.0951  133.400   6.0957  145.923   8.8620  122.153   8.3980  231.730   7.0772  211.973   7.3318 19.75691 10.19028 
1 1 1   13    5   50 o  312.118   5.2899  265.149   8.9205  271.779   12.702  258.697   12.531  315.980   7.4392  308.256   7.5228 7.724792 10.57990 
1 1 1   13    5   51 o   75.747   10.591   16.453   4.2354   18.669   5.8751   14.054   6.1115   82.075   13.247   69.418   16.530 12.65678 21.18283 
1 1 1   13    5   52 o   77.511   10.265   17.145   4.2000   18.291   5.8434   15.921   6.0410   81.056   13.341   73.966   15.605 7.090240 20.53055 
1 1 1   13    5   53 o   62.573   12.094   11.501   4.2097   10.585   5.8478   12.487   6.0649   60.106   17.157   65.039   17.049 -4.932613 24.18767 
1 1 1   13    5   54 o   87.233   9.1246   21.233   4.2819   24.152   6.2276   18.616   5.8970   93.020   12.389   81.445   13.399 11.57520 18.24927 
1 1 1   13    5   55 o   47.349   12.098   4.9245   4.2575   9.0276   5.9815   0.7112   6.0614   55.855   17.682   38.844   16.517 17.01130 24.19639 
1 1 1   13    5   56 o  199.034   5.5664  108.823   5.9817  112.898   8.4121  104.654   8.5076  202.885   7.6730  195.183   8.0663 7.701508 11.13285 
1 1 1   13    5   57 o   72.242   11.544   15.756   4.4306   19.034   6.2823   12.513   6.2496   80.303   15.030   64.181   17.526 16.12200 23.08839 
1 1 1   13    5   58 o  277.102   5.3884  210.941   8.0615  213.392   11.671  208.705   11.148  278.557   7.7536  275.646   7.4846 2.911224 10.77674 
1 1 1   13    5   59 o  104.024   8.7310   30.765   4.8710   35.535   6.9851   26.250   6.7960  112.210   11.520   95.837   13.123 16.37365 17.46203 
1 1 1   13    5   60 f   89.907   10.770   24.190   5.0450   20.687   7.2958   27.400   6.9839   82.147   16.996   97.667   13.233 -15.52000 21.54047 
1 1 1   13    5   61 o  161.261   6.9642   73.337   6.0676   72.597   8.6274   74.062   8.5351  160.382   9.9549  162.139   9.7416 -1.757584 13.92839 
1 1 1   13    5   62 o  219.354   8.3980  133.748   9.9543  133.748   9.9543   0.0000   0.0000  219.354   8.3980  ?   ?       ?      ? 
1 1 1   13    5   63 o  223.576   6.1161  140.348   7.3833  148.041   10.648  133.224   10.247  229.534   8.5848  217.618   8.7138 11.91615 12.23228 
1 1 1   13    5   64 o  175.984   9.1325   91.873   8.6790   90.631   12.031   93.221   12.532  174.976   12.724  176.992   13.103 -2.016113 18.26495 
1 1 1   13    5   65 o  146.382   10.313   66.630   8.1564   66.441   11.446   66.824   11.626  146.313   14.477  146.452   14.691 -0.1391296 20.62547 
1 1 1   13    6    0 f  556.380   7.0818  837.146   21.286  846.539   30.518  828.248   29.703  559.413   10.096  553.347   9.9338 6.065918 14.16351 
1 1 1   13    6    1 o  641.884   8.0177  1114.45   27.802  1095.89   38.783  1134.08   39.877  636.393   11.278  647.376   11.399 -10.98273 16.03532 
1 1 1   13    6    2 o   93.548   5.1012   23.548   2.5665   24.752   3.8564   22.591   3.4385   95.682   7.4587   91.415   6.9609 4.267563 10.20230 
1 1 1   13    6    3 o  288.279   4.5811  224.685   7.1319  223.583   10.254  225.718   9.9265  287.591   6.5980  288.967   6.3571 -1.375824 9.162255 
1 1 1   13    6    4 o  1001.49   12.090  2719.48   65.425  2735.58   93.150  2703.80   91.912  1004.41   17.163  998.581   17.033 5.824463 24.18046 
1 1 1   13    6    5 o  563.600   7.1644  859.327   21.819  856.721   30.851  861.935   30.863  562.744   10.145  564.456   10.119 -1.711914 14.32880 
1 1 1   13    6    9 o  470.028   6.2098  597.506   15.771  592.488   22.182  602.637   22.428  468.033   8.7707  472.023   8.7932 -3.990448 12.41957 
1 1 1   13    6   10 o  709.507   8.7820  1362.77   33.661  1380.48   48.252  1345.98   46.982  713.984   12.507  705.030   12.332 8.954346 17.56403 
1 1 1   13    6   12 o  838.104   10.207  1900.61   46.225   0.0000   0.0000  1900.61   46.225  ?   ?   838.104   10.207      ?      ? 
1 1 1   13    6   13 o  409.247   7.9735  452.899   17.633   0.0000   0.0000  452.899   17.633  ?   ?   409.247   7.9735      ?      ? 
1 1 1   13    6   15 o  731.179   9.0274  1445.97   35.668   0.0000   0.0000  1445.97   35.668  ?   ?   731.179   9.0274      ?      ? 
1 1 1   13    6   16 o  1113.60   13.380  3357.68   80.516   0.0000   0.0000  3357.68   80.516  ?   ?   1113.60   13.380      ?      ? 
1 1 1   13    6   17 o  365.322   5.9755  367.624   10.221  347.297   20.127  374.687   11.864  358.317   10.395  372.326   5.8971 -14.00940 11.95106 
1 1 1   13    6   18 o  734.268   12.749  1459.14   50.585   0.0000   0.0000  1459.14   50.585  ?   ?   734.268   12.749      ?      ? 
1 1 1   13    6   19 o  892.589   10.826  2157.10   52.205  2131.94   72.996  2183.45   74.692  887.273   15.225  897.905   15.394 -10.63129 21.65125 
1 1 1   13    6   20 o  680.812   8.4358  1253.81   31.032  1242.81   43.553  1265.14   44.226  677.785   11.892  683.840   11.968 -6.055298 16.87167 
1 1 1   13    6   21 o   77.173   6.7271   16.097   2.8053   0.0000   0.0000   16.097   2.8053  ?   ?    77.173   6.7271      ?      ? 
1 1 1   13    6   22 o  737.515   9.0705  1470.48   36.130  1441.77   50.137  1501.51   52.112  730.038   12.709  744.992   12.945 -14.95380 18.14109 
1 1 1   13    6   23 o  1043.17   15.422  2933.23   81.288  3002.25  143.841  2900.84   98.531  1051.45   25.317  1034.90   17.619 16.55249 30.84438 
1 1 1   13    6   24 o  533.201   8.2422  778.765   22.965  729.054   36.943  810.071   29.317  519.072   13.171  547.330   9.9125 -28.25793 16.48435 
1 1 1   13    6   25 o  1427.06   20.912  5546.45  152.193  5550.57  186.702  5538.29  262.752  1429.66   24.167  1424.47   34.135 5.187256 41.82450 
1 1 1   13    6   26 o  879.334   13.083  2088.08   58.422  2073.96   71.220  2117.12  102.152  875.256   15.058  883.412   21.399 -8.156067 26.16625 
1 1 1   13    6   27 o  388.230   7.7489  407.453   16.256   0.0000   0.0000  407.453   16.256  ?   ?   388.230   7.7489      ?      ? 
1 1 1   13    6   28 o  177.897   6.4802   85.543   6.2294   0.0000   0.0000   85.543   6.2294  ?   ?   177.897   6.4802      ?      ? 
1 1 1   13    6   29 o  259.206   5.3698  184.292   7.4115  154.955   10.793  210.468   10.195  239.384   8.3438  279.027   6.7618 -39.64316 10.73969 
1 1 1   13    6   30 o  974.006   16.661  2575.32   87.551  2666.67  128.209  2495.50  119.846  990.047   23.965  957.964   23.152 32.08228 33.32148 
1 1 1   13    6   31 o  482.837   8.8764  630.460   23.144  647.748   33.480  614.640   32.029  489.162   12.666  476.513   12.439 12.64868 17.75273 
1 1 1   13    6   32 o  503.108   9.1912  683.339   24.935  717.117   36.744  654.505   33.948  514.578   13.214  491.639   12.779 22.93958 18.38236 
1 1 1   13    6   33 o  319.694   5.2066  276.264   8.9928  284.040   12.829  268.753   12.609  324.116   7.3250  315.272   7.4013 8.844849 10.41324 
1 1 1   13    6   34 o  1217.52   14.665  4031.27   96.450  4089.05  138.424  3976.76  134.465  1225.93   20.896  1209.10   20.581 16.82385 29.32904 
1 1 1   13    6   35 o  816.814   10.062  1807.69   44.380  1849.44   64.221  1769.52   61.399  825.800   14.392  807.829   14.065 17.97119 20.12363 
1 1 1   13    6   37 o  694.617   12.330  1308.56   46.281  1308.56   46.281   0.0000   0.0000  694.617   12.330  ?   ?       ?      ? 
1 1 1   13    6   38 o  459.167   6.3376  570.739   15.722  578.766   22.478  563.050   21.999  462.323   8.9976  456.010   8.9276 6.312256 12.67512 
1 1 1   13    6   39 o  598.967   7.6848  971.158   24.843  1004.61   36.228  941.470   34.131  608.657   11.015  589.278   10.719 19.37915 15.36964 
1 1 1   13    6   40 o   96.362   7.9644   25.334   4.1255   27.196   5.7017   23.288   5.9767  100.125   10.538   92.598   11.944 7.526299 15.92886 
1 1 1   13    6   41 o  142.726   5.7881   55.118   4.4609   53.011   6.1707   57.423   6.4562  139.875   8.1640  145.577   8.2072 -5.701859 11.57628 
1 1 1   13    6   42 o  220.221   4.9801  131.358   5.9257  132.827   8.3544  129.872   8.4063  221.464   6.9812  218.977   7.1042 2.486206 9.960235 
1 1 1   13    6   43 o  204.016   5.0393  112.694   5.5517  118.720   7.9702  107.014   7.7375  209.316   7.0466  198.715   7.2058 10.60019 10.07861 
1 1 1   13    6   44 o  139.552   8.2707   52.856   5.5215   52.601   6.4471   53.559   10.695  139.203   8.5710  139.901   14.148 -0.6982880 16.54139 
1 1 1   13    6   45 o   63.659   15.623   8.8719   6.9837   2.3243   9.5294   16.468   10.264   51.116   21.150   76.203   23.001 -25.08710 31.24687 
1 1 1   13    6   46 o  382.568   8.3924  399.966   17.341  407.207   24.992  393.243   24.081  385.860   11.986  379.276   11.750 6.583771 16.78480 
1 1 1   13    6   47 o   91.030   12.391   27.265   5.2904   15.245   9.6305   32.459   6.3312   73.053   22.330  109.007   10.748 -35.95321 24.78207 
1 1 1   13    6   48 o  317.644   5.2857  274.031   9.0697  281.612   13.021  266.888   12.640  321.905   7.4858  313.382   7.4643 8.523254 10.57136 
1 1 1   13    6   49 o  177.099   5.4008   85.333   5.1667   88.561   7.3688   82.211   7.2464  180.406   7.5589  173.792   7.7162 6.613708 10.80166 
1 1 1   13    6   50 o  268.482   5.1181  196.140   7.4246  199.418   10.577  192.956   10.425  270.695   7.2310  266.269   7.2452 4.425842 10.23619 
1 1 1   13    6   51 o  342.720   5.4658  319.668   10.113  334.642   14.693  306.189   13.940  350.320   7.7616  335.121   7.6978 15.19830 10.93158 
1 1 1   13    6   52 o   77.081   10.214   17.290   4.0893   11.018   5.7154   23.868   5.8534   61.304   16.769   92.858   11.665 -31.55404 20.42732 
1 1 1   13    6   53 o  128.547   6.6720   45.397   4.6250   49.429   6.6313   41.577   6.4539  134.169   9.1466  122.925   9.7161 11.24366 13.34397 
1 1 1   13    6   54 o  165.804   5.8075   75.332   5.1706   87.056   7.4683   64.539   7.1657  178.320   7.7506  153.289   8.6509 25.03033 11.61501 
1 1 1   13    6   55 o  251.883   5.2311  173.550   7.1167  170.914   9.8875  176.384   10.251  249.933   7.3211  253.833   7.4739 -3.900864 10.46222 
1 1 1   13    6   56 o  109.309   7.9398   33.353   4.6889   32.730   6.5572   34.005   6.7077  108.270   11.208  110.347   11.249 -2.076691 15.87954 
1 1 1   13    6   57 o  260.488   5.3505  186.316   7.5275  194.852   10.776  178.180   10.520  266.357   7.4866  254.618   7.6462 11.73911 10.70109 
1 1 1   13    6   58 o  166.647   6.2259   76.857   5.5955   82.415   7.9232   71.326   7.9032  172.799   8.4854  160.494   9.1129 12.30431 12.45177 
1 1 1   13    6   59 o   43.703   12.092   2.3588   4.6264  -3.7957   6.5948   8.3224   6.4918   33.885   15.602   53.522   18.477 -19.63697 24.18339 
1 1 1   13    6   60 o  184.377   6.1351   94.493   6.1110   97.416   8.7201   91.673   8.5664  187.211   8.6199  181.542   8.7324 5.668900 12.27019 
1 1 1   13    6   61 o  326.196   5.8052  295.938   10.232  293.451   14.365  298.500   14.578  324.834   8.1836  327.557   8.2359 -2.722992 11.61035 
1 1 1   13    6   62 o  218.103   6.4251  127.352   7.3660   93.714   9.4784  178.645   11.705  182.829   9.5941  253.378   8.5487 -70.54915 12.85015 
1 1 1   13    6   63 o  113.059   13.548   43.712   7.7022   61.059   11.019   27.140   10.770  141.089   14.453   85.029   22.920 56.06000 27.09676 
1 1 1   13    6   64 o   42.895   13.493  -3.9035   7.0197   7.8086   9.8112 -16.1869   10.048   53.096   21.658   32.693   16.097 20.40316 26.98504 
1 1 1   13    6   65 o   68.897   14.530   18.617   6.2564   22.868   7.9476   11.689   10.145   81.177   18.527   56.618   22.389 24.55818 29.06032 
1 1 1   13    7    1 o  283.391   6.4491  217.100   9.8759   0.0000   0.0000  217.100   9.8759  ?   ?   283.391   6.4491      ?      ? 
1 1 1   13    7    2 o  185.085   4.2519   92.673   4.2432   91.375   6.1844   93.828   5.8327  183.856   6.2249  186.314   5.7935 -2.457520 8.503743 
1 1 1   13    7    3 o  403.881   7.8247  441.070   17.077   0.0000   0.0000  441.070   17.077  ?   ?   403.881   7.8247      ?      ? 
1 1 1   13    7    4 o  407.403   5.6584  448.819   12.456  448.711   17.730  448.925   17.503  407.352   8.0545  407.454   7.9495 -0.1018372 11.31683 
1 1 1   13    7    5 o  611.193   7.7152  1010.62   25.474  1022.53   36.514  999.323   35.557  614.694   10.993  607.692   10.828 7.001343 15.43040 
1 1 1   13    7    6 o  344.333   5.0796  320.583   9.4510  318.744   13.404  322.400   13.328  343.349   7.2245  345.316   7.1426 -1.966278 10.15924 
1 1 1   13    7    7 o  135.582   4.6207   49.787   3.3776   46.118   4.7922   53.409   4.7614  130.606   6.7902  140.558   6.2689 -9.952576 9.241492 
1 1 1   13    7    9 o  443.766   8.4301  532.625   20.215   0.0000   0.0000  532.625   20.215  ?   ?   443.766   8.4301      ?      ? 
1 1 1   13    7   10 o  565.997   10.234  866.836   31.302   0.0000   0.0000  866.836   31.302  ?   ?   565.997   10.234      ?      ? 
1 1 1   13    7   11 o  508.485   7.9318  705.955   20.920  677.252   34.492  722.657   26.312  500.108   12.763  516.862   9.4207 -16.75336 15.86361 
1 1 1   13    7   12 o  250.872   5.9367  170.124   8.0479   0.0000   0.0000  170.124   8.0479  ?   ?   250.872   5.9367      ?      ? 
1 1 1   13    7   13 o  220.092   6.8587  130.958   8.1570   0.0000   0.0000  130.958   8.1570  ?   ?   220.092   6.8587      ?      ? 
1 1 1   13    7   15 o  438.156   8.2893  519.109   19.626   0.0000   0.0000  519.109   19.626  ?   ?   438.156   8.2893      ?      ? 
1 1 1   13    7   16 f  709.183   8.7845  1359.98   33.664   0.0000   0.0000  1359.98   33.664  ?   ?   709.183   8.7845      ?      ? 
1 1 1   13    7   17 o  1024.34   12.347  2839.43   68.344   0.0000   0.0000  2839.43   68.344  ?   ?   1024.34   12.347      ?      ? 
1 1 1   13    7   18 o  757.756   11.436  1560.45   44.232  1539.86   76.046  1570.98   54.376  753.641   18.673  761.872   13.208 -8.230896 22.87248 
1 1 1   13    7   19 o  507.440   9.2736  696.255   25.428   0.0000   0.0000  696.255   25.428  ?   ?   507.440   9.2736      ?      ? 
1 1 1   13    7   20 o  598.325   7.5565  966.731   24.408  936.972   33.628  999.860   35.482  588.615   10.573  608.036   10.799 -19.42017 15.11295 
1 1 1   13    7   21 o  449.984   6.0000  547.149   14.586  535.816   20.365  559.087   20.901  445.202   8.4651  454.766   8.5055 -9.563843 12.00008 
1 1 1   13    7   22 o  485.341   6.3790  636.065   16.717  617.595   23.097  656.388   24.227  477.953   8.9429  492.729   9.0991 -14.77661 12.75808 
1 1 1   13    7   23 o  857.609   10.449  1987.58   48.361  1929.24   66.401  2053.49   70.576  844.252   14.555  870.967   14.996 -26.71423 20.89793 
1 1 1   13    7   24 o  1367.66   20.046  5091.95  139.798  5081.08  241.391  5097.44  171.483  1364.97   32.727  1370.35   23.158 -5.375610 40.09211 
1 1 1   13    7   25 o  566.131   8.9361  831.250   24.674  950.676   47.672  787.550   28.837  592.600   14.887  539.662   9.8888 52.93762 17.87213 
1 1 1   13    7   26 o  439.613   8.1774  520.740   19.379  494.144   26.315  552.252   28.645  427.405   11.394  451.821   11.733 -24.41559 16.35487 
1 1 1   13    7   27 o  804.671   13.867  1755.54   60.276  1781.08   86.585  1731.53   83.960  810.321   19.774  799.021   19.446 11.29919 27.73376 
1 1 1   13    7   28 o  836.867   14.401  1901.15   65.120  1909.69   92.581  1892.79   91.613  838.714   20.428  835.021   20.304 3.693542 28.80143 
1 1 1   13    7   29 o  432.692   8.1363  505.273   18.985  527.477   27.953  486.261   25.865  441.479   11.717  423.905   11.292 17.57373 16.27256 
1 1 1   13    7   30 o  322.556   5.1832  281.097   9.0293  275.902   12.524  286.721   13.030  319.457   7.2549  325.656   7.4046 -6.199097 10.36640 
1 1 1   13    7   31 o  545.366   7.1143  804.279   20.959  819.696   30.099  789.766   29.203  550.433   10.120  540.299   10.002 10.13434 14.22868 
1 1 1   13    7   32 o  187.385   5.0958   94.925   5.1576   91.106   7.2453   98.848   7.3435  183.564   7.3044  191.207   7.1074 -7.643784 10.19163 
1 1 1   13    7   33 o  673.130   8.4573  1226.70   30.761  1234.60   43.765  1219.00   43.245  675.266   11.994  670.994   11.927 4.272217 16.91469 
1 1 1   13    7   34 o  760.044   9.4269  1564.93   38.701  1592.17   55.701  1539.51   53.810  766.414   13.450  753.674   13.213 12.73920 18.85385 
1 1 1   13    7   35 o  474.199   6.4610  606.151   16.512  639.654   24.456  578.081   22.385  486.181   9.3087  462.216   8.9624 23.96539 12.92199 
1 1 1   13    7   36 o  399.086   5.8044  430.839   12.515  438.026   17.917  423.993   17.488  402.332   8.2412  395.839   8.1760 6.492279 11.60881 
1 1 1   13    7   37 o  834.794   10.295  1892.19   46.419  1929.72   66.940  1857.42   64.425  842.719   14.700  826.868   14.419 15.85016 20.59097 
1 1 1   13    7   38 o  559.863   7.3064  849.391   22.103  856.574   31.466  842.395   31.055  562.195   10.358  557.531   10.308 4.664429 14.61290 
1 1 1   13    7   39 o  251.674   5.0547  170.939   6.8644  181.779   10.026  161.376   9.4175  259.162   7.1596  244.186   7.1372 14.97551 10.10936 
1 1 1   13    7   40 o  245.906   5.0148  162.899   6.6453  180.135   9.7714  148.067   9.0642  257.954   7.0102  233.858   7.1728 24.09558 10.02955 
1 1 1   13    7   41 o  207.194   5.0973  116.204   5.7055  119.481   8.1696  113.084   7.9716  210.045   7.1979  204.343   7.2194 5.701721 10.19454 
1 1 1   13    7   42 o   45.590   11.688   4.3511   3.8354   6.9574   5.4526   1.7987   5.3959   51.453   16.932   39.727   16.116 11.72589 23.37586 
1 1 1   13    7   43 o  217.823   5.0616  128.607   5.9550  133.757   8.4651  123.561   8.3789  222.150   7.0518  213.495   7.2630 8.655319 10.12314 
1 1 1   13    7   44 o  395.443   7.3219  425.221   14.497  424.811   17.480  426.126   25.946  395.657   8.1761  395.229   12.149 0.4280396 14.64379 
1 1 1   13    7   45 o  359.218   8.2273  352.015   15.963  342.342   22.192  362.387   22.980  354.121   11.597  364.316   11.673 -10.19519 16.45462 
1 1 1   13    7   46 o  251.856   7.9114  173.356   10.766  174.887   15.170  171.802   15.281  253.000   11.097  250.712   11.279 2.288162 15.82276 
1 1 1   13    7   47 o  293.553   6.6499  231.953   9.6499  242.117   17.840  227.750   11.473  297.542   11.096  289.564   7.3324 7.977295 13.29990 
1 1 1   13    7   48 o  114.450   7.0487   35.615   4.3189   29.360   5.9004   42.833   6.3389  103.603   10.540  125.297   9.3624 -21.69415 14.09749 
1 1 1   13    7   49 o   67.925   11.078   13.390   3.9963   15.214   5.6400   11.552   5.6633   72.745   14.850   63.105   16.442 9.639935 22.15592 
1 1 1   13    7   50 o  217.026   5.1209  127.841   5.9894  141.776   8.7097  115.339   8.2497  228.253   7.0615  205.799   7.4183 22.45370 10.24189 
1 1 1   13    7   51 o   62.967   11.770   11.543   4.0624   10.632   5.5576   12.589   5.9529   60.393   16.542   65.540   16.747 -5.146511 23.53944 
1 1 1   13    7   52 o   54.088   10.494   6.0306   4.0293  -2.7415   5.4209   16.860   6.0231   32.000   14.509   76.176   15.165 -44.17613 20.98772 
1 1 1   13    7   53 o   34.792   10.736  -1.9462   4.0324   2.2440   5.6594  -6.2671   5.7470   40.481   16.474   29.102   13.773 11.37869 21.47281 
1 1 1   13    7   54 o  190.197   5.4458   99.003   5.5920  104.850   7.9899   93.389   7.8291  195.747   7.5537  184.647   7.8466 11.09972 10.89158 
1 1 1   13    7   55 o  162.435   6.0145   72.566   5.2776   70.146   7.4220   75.042   7.5060  159.662   8.6026  165.207   8.4080 -5.545334 12.02908 
1 1 1   13    7   56 o  219.469   5.3881  132.005   6.3835  127.359   8.7915  137.187   9.2841  215.421   7.5524  223.516   7.6867 -8.095413 10.77611 
1 1 1   13    7   57 o   69.347   12.174   14.698   4.5683   16.767   6.4115   12.565   6.5108   74.603   16.355   64.092   18.038 10.51118 24.34860 
1 1 1   13    7   58 o  270.525   5.4827  201.401   8.0132  206.599   11.452  196.415   11.216  273.955   7.7362  267.096   7.7712 6.859589 10.96546 
1 1 1   13    7   59 o  103.219   9.2002   30.500   5.0464   37.823   7.3273   23.892   6.9603  115.555   11.735   90.883   14.173 24.67159 18.40032 
1 1 1   13    7   60 f  135.434   7.4692   51.926   5.4526   56.821   7.8113   47.274   7.6146  141.874   10.189  128.994   10.924 12.88010 14.93836 
1 1 1   13    7   61 o   98.468   12.025   29.435   6.1717   31.104   9.6056   28.262   8.0541   99.320   18.581   97.615   15.269 1.705376 24.04969 
1 1 1   13    7   62 o  109.655   13.433   39.244   7.4796   47.793   10.133   29.009   11.087  126.990   14.766   92.321   22.443 34.66965 26.86504 
1 1 1   13    7   63 o   71.237   16.129   19.459   7.1476   15.664   10.056   23.333   10.162   64.121   22.926   78.354   22.693 -14.23322 32.25809 
1 1 1   13    7   64 o   44.069   12.941   3.2310   5.3806  -2.0476   7.9466   7.6996   7.3115   37.761   17.290   50.377   19.260 -12.61603 25.88222 
1 1 1   13    8    0 o  288.547   4.7245  225.105   7.3654  224.057   10.492  226.124   10.342  287.882   6.7449  289.211   6.6175 -1.328369 9.449039 
1 1 1   13    8    1 o  397.281   5.5673  426.633   11.947  432.214   17.192  421.422   16.613  399.789   7.9580  394.774   7.7877 5.015259 11.13459 
1 1 1   13    8    2 f  771.654   13.439  1612.86   56.036   0.0000   0.0000  1612.86   56.036  ?   ?   771.654   13.439      ?      ? 
1 1 1   13    8    3 o  816.651   10.011  1806.92   44.176  1794.70   62.116  1819.42   62.840  813.864   14.124  819.439   14.192 -5.574768 20.02236 
1 1 1   13    8    6 o  346.564   7.2621  324.760   13.600   0.0000   0.0000  324.760   13.600  ?   ?   346.564   7.2621      ?      ? 
1 1 1   13    8    7 o  155.691   6.3114   65.529   5.3098   0.0000   0.0000   65.529   5.3098  ?   ?   155.691   6.3114      ?      ? 
1 1 1   13    8    8 o  475.377   6.3533  611.081   16.317  601.667   22.822  620.925   23.339  471.635   8.9550  479.120   9.0146 -7.484894 12.70654 
1 1 1   13    8   10 f  577.441   7.3968  902.198   23.080  899.542   32.643  904.852   32.638  576.590   10.477  578.292   10.444 -1.702209 14.79370 
1 1 1   13    8   11 o  336.283   5.5948  304.226   9.0582  309.234   17.405  302.366   10.608  338.109   9.5266  334.456   5.8696 3.652893 11.18961 
1 1 1   13    8   13 o  977.465   16.851  2590.16   89.005   0.0000   0.0000  2590.16   89.005  ?   ?   977.465   16.851      ?      ? 
1 1 1   13    8   14 o  440.774   5.9837  525.123   14.252   0.0000   0.0000  525.123   14.252  ?   ?   440.774   5.9837      ?      ? 
1 1 1   13    8   15 o  1191.92   20.225  3854.78  130.264   0.0000   0.0000  3854.78  130.264  ?   ?   1191.92   20.225      ?      ? 
1 1 1   13    8   16 o  1040.29   12.549  2928.65   70.545   0.0000   0.0000  2928.65   70.545  ?   ?   1040.29   12.549      ?      ? 
1 1 1   13    8   17 o  328.603   7.3454  291.896   13.043   0.0000   0.0000  291.896   13.043  ?   ?   328.603   7.3454      ?      ? 
1 1 1   13    8   18 o  779.349   11.105  1643.65   40.270  1646.62   81.237  1642.68   46.368  779.383   19.289  779.316   11.011 0.6744385E-01 22.21057 
1 1 1   13    8   19 o  1175.33   14.109  3741.38   89.547  3663.60  123.962  3826.26  129.498  1162.60   19.732  1188.05   20.172 -25.44336 28.21772 
1 1 1   13    8   20 o  257.274   4.5721  178.909   6.3419  178.633   9.2820  179.151   8.6854  257.085   6.6815  257.463   6.2429 -0.3784790 9.144229 
1 1 1   13    8   21 o  408.666   6.8012  460.805   14.648  401.577   22.487  504.467   19.307  385.348   10.799  431.985   8.2709 -46.63733 13.60242 
1 1 1   13    8   22 o  431.826   8.0830  489.439   18.431  574.099   30.200  439.189   23.267  460.671   12.132  402.981   10.685 57.69000 16.16610 
1 1 1   13    8   23 o  302.476   6.4168  247.661   10.471  241.441   15.131  253.378   14.506  298.820   9.3705  306.133   8.7691 -7.312347 12.83366 
1 1 1   13    8   24 o  591.621   10.481  947.483   33.502  949.775   47.795  945.270   46.972  592.316   14.933  590.927   14.710 1.389099 20.96144 
1 1 1   13    8   25 o  703.211   12.278  1304.74   45.735  1175.22   58.134  1515.09   74.085  658.725   16.332  747.697   18.337 -88.97192 24.55533 
1 1 1   13    8   26 o  199.407   5.1772  106.831   5.5437  101.974   7.3714  113.153   8.4109  194.227   7.0235  204.587   7.6081 -10.36035 10.35432 
1 1 1   13    8   27 o  473.016   7.6016  604.333   18.536  602.068   22.972  608.558   31.378  471.840   9.0098  474.192   12.246 -2.351898 15.20315 
1 1 1   13    8   28 o  346.640   5.2875  324.598   9.8999  314.271   13.769  335.649   14.244  340.938   7.4738  352.343   7.4814 -11.40472 10.57493 
1 1 1   13    8   29 o  173.046   5.1085   81.220   4.7592   77.035   6.9204   84.975   6.5555  168.798   7.5871  177.294   6.8427 -8.496475 10.21698 
1 1 1   13    8   30 o  410.399   5.8588  455.448   12.993  451.306   18.317  459.644   18.433  408.521   8.2974  412.278   8.2738 -3.757874 11.71763 
1 1 1   13    8   31 o  325.889   5.3218  287.178   9.3706  286.523   13.341  287.815   13.165  325.521   7.5842  326.258   7.4676 -0.7365723 10.64352 
1 1 1   13    8   32 o  624.166   11.274  1054.48   38.024   0.0000   0.0000  1054.48   38.024  ?   ?   624.166   11.274      ?      ? 
1 1 1   13    8   33 o  356.960   5.5243  343.422   10.631  362.226   15.695  327.478   14.452  365.952   7.9369  347.968   7.6861 17.98376 11.04851 
1 1 1   13    8   34 o  528.880   7.0275  756.413   20.069  773.479   29.071  740.876   27.739  534.562   10.064  523.198   9.8114 11.36365 14.05510 
1 1 1   13    8   35 o  229.150   7.0302  142.020   8.7051   0.0000   0.0000  142.020   8.7051  ?   ?   229.150   7.0302      ?      ? 
1 1 1   13    8   36 o  159.846   5.7029   69.279   4.9166   65.523   7.0306   72.874   6.8781  155.588   8.3624  164.105   7.7564 -8.516449 11.40575 
1 1 1   13    8   37 o  536.422   7.0724  778.395   20.478  804.492   29.823  755.113   28.168  544.898   10.128  527.947   9.8738 16.95026 14.14486 
1 1 1   13    8   38 f  264.449   5.1219  189.126   7.3164  196.178   10.497  182.463   10.203  269.242   7.2149  259.657   7.2719 9.585480 10.24378 
1 1 1   13    8   39 o  139.818   6.2306   52.998   4.6996   52.515   6.8279   53.432   6.4784  139.200   9.0774  140.435   8.5370 -1.235184 12.46113 
1 1 1   13    8   40 o  300.821   5.1970  245.039   8.4473  248.061   12.024  242.094   11.870  302.652   7.3523  298.990   7.3469 3.661804 10.39395 
1 1 1   13    8   41 o   83.058   9.7782   19.452   4.0953   28.938   6.0120   11.238   5.5940  103.197   10.781   62.918   16.316 40.27944 19.55631 
1 1 1   13    8   42 o  263.770   5.0529  188.131   7.1927  196.890   10.504  180.398   9.8699  269.531   7.2119  258.010   7.0792 11.52081 10.10581 
1 1 1   13    8   43 o  271.168   5.0932  199.138   7.4594  205.984   10.753  192.788   10.356  275.654   7.2193  266.682   7.1865 8.971497 10.18648 
1 1 1   13    8   44 o  389.116   7.3219  415.230   14.392  420.900   17.554  403.604   25.136  393.738   8.2507  384.494   12.098 9.243652 14.64374 
1 1 1   13    8   45 o  244.428   8.0502  163.350   10.620  172.207   15.005  154.459   15.034  251.149   11.056  237.706   11.704 13.44235 16.10049 
1 1 1   13    8   46 o  243.635   8.3232  162.601   10.949  169.797   15.460  155.360   15.507  249.123   11.485  238.147   12.050 10.97574 16.64639 
1 1 1   13    8   47 o  267.993   6.6462  192.504   8.7766  203.986   16.372  187.874   10.396  273.023   11.098  262.963   7.3165 10.06015 13.29237 
1 1 1   13    8   48 o  278.321   5.1682  210.632   7.7713  216.315   11.071  205.111   10.912  282.033   7.2641  274.610   7.3535 7.422760 10.33635 
1 1 1   13    8   49 o  243.091   5.1285  160.699   6.7341  155.866   9.3713  165.860   9.6833  239.316   7.2467  246.867   7.2589 -7.550079 10.25701 
1 1 1   13    8   50 o   44.702   11.551   3.6474   3.9384   8.1160   5.6623  -0.5406   5.4816   53.922   17.218   35.481   15.403 18.44109 23.10181 
1 1 1   13    8   51 o  100.356   8.0325   27.762   4.3240   32.601   6.2948   23.439   5.9498  108.739   10.713   91.974   11.972 16.76501 16.06499 
1 1 1   13    8   52 o  186.962   5.4538   95.529   5.5095   96.170   7.7674   94.879   7.8161  187.607   7.6619  186.317   7.7634 1.290649 10.90755 
1 1 1   13    8   53 o  145.587   6.3100   58.206   4.9539   63.529   7.1287   53.234   6.8893  152.087   8.6742  139.088   9.1663 12.99936 12.61994 
1 1 1   13    8   54 o  225.051   5.2927  138.571   6.4340  133.291   9.0119  144.060   9.1888  220.652   7.5582  229.451   7.4111 -8.798721 10.58542 
1 1 1   13    8   55 o  150.346   6.2242   62.314   5.0561   62.212   7.1996   62.414   7.1023  150.201   8.8704  150.491   8.7337 -0.2903290 12.44841 
1 1 1   13    8   56 f  219.593   5.4660  132.533   6.4851  135.615   9.2165  129.511   9.1269  222.147   7.6778  217.040   7.7821 5.106476 10.93204 
1 1 1   13    8   57 o  164.201   6.2410   74.549   5.5345   71.582   7.8100   77.541   7.8441  160.852   8.9854  167.551   8.6638 -6.699142 12.48192 
1 1 1   13    8   58 o  156.901   6.5520   68.296   5.5472   73.426   8.0566   63.672   7.6491  162.534   9.1732  151.268   9.3578 11.26578 13.10404 
1 1 1   13    8   59 o   58.362   13.129   10.047   4.8822   14.720   7.0697   5.7860   6.7503   68.345   18.632   48.379   18.503 19.96670 26.25834 
1 1 1   13    8   60 o   48.464   14.206   4.5174   6.1037   5.3333   8.6412   3.7050   8.6226   49.644   20.297   47.285   19.882 2.358688 28.41209 
1 1 1   13    8   61 o  146.112   10.760   61.782   7.8809   35.811   10.399   96.824   12.079  108.375   17.757  183.849   12.159 -75.47376 21.52100 
1 1 1   13    8   62 o  120.332   10.009   41.327   6.3329   33.968   7.9256   54.324   10.533  106.602   13.759  134.062   14.539 -27.46059 20.01742 
1 1 1   13    8   63 o   58.840   11.535   9.5085   5.2224  -5.0599   7.6630   22.143   7.1362   34.439   16.176   83.241   16.448 -48.80175 23.06969 
1 1 1   13    8   64 o   96.698   10.355   29.163   5.3986   27.968   7.7554   30.287   7.5197   94.252   15.227   99.144   14.036 -4.892540 20.70943 
1 1 1   13    9    0 o  350.496   7.1938  332.335   13.622  336.487   19.501  328.378   19.037  352.630   10.234  348.362   10.113 4.268158 14.38769 
1 1 1   13    9    1 o  369.893   6.5023  371.678   12.498  375.880   15.702  364.414   20.643  372.822   7.7943  366.964   10.410 5.858643 13.00460 
1 1 1   13    9    2 o  438.189   11.726  519.820   27.766   0.0000   0.0000  519.820   27.766  ?   ?   438.189   11.726      ?      ? 
1 1 1   13    9    3 o  304.873   5.8221  250.675   9.1978  248.931   11.462  253.829   15.414  303.429   6.9907  306.317   9.3121 -2.887299 11.64410 
1 1 1   13    9    4 o  284.523   4.8460  218.642   7.4461  208.586   10.359  229.393   10.711  277.759   6.9017  291.286   6.8046 -13.52661 9.692089 
1 1 1   13    9    7 o  513.874   6.8065  714.257   18.899  707.123   26.545  721.591   26.914  511.273   9.6083  516.475   9.6435 -5.201691 13.61307 
1 1 1   13    9    9 o  292.267   6.8386  230.930   10.800   0.0000   0.0000  230.930   10.800  ?   ?   292.267   6.8386      ?      ? 
1 1 1   13    9   10 o  431.571   5.9815  503.543   13.946  509.850   19.973  497.542   19.482  434.205   8.5125  428.937   8.4053 5.268036 11.96293 
1 1 1   13    9   11 o  612.115   9.5536  996.142   29.433  1064.64   53.007  965.610   35.389  626.829   15.649  597.401   10.963 29.42792 19.10722 
1 1 1   13    9   13 o  341.460   7.1077  315.186   13.115   0.0000   0.0000  315.186   13.115  ?   ?   341.460   7.1077      ?      ? 
1 1 1   13    9   14 o  510.308   9.3983  704.232   25.916   0.0000   0.0000  704.232   25.916  ?   ?   510.308   9.3983      ?      ? 
1 1 1   13    9   15 o  425.694   8.2373  489.941   18.948   0.0000   0.0000  489.941   18.948  ?   ?   425.694   8.2373      ?      ? 
1 1 1   13    9   16 o  416.934   7.9249  469.942   17.854   0.0000   0.0000  469.942   17.854  ?   ?   416.934   7.9249      ?      ? 
1 1 1   13    9   17 o  718.394   12.513  1396.25   48.576   0.0000   0.0000  1396.25   48.576  ?   ?   718.394   12.513      ?      ? 
1 1 1   13    9   18 f  1018.58   17.326  2809.81   95.362   0.0000   0.0000  2809.81   95.362  ?   ?   1018.58   17.326      ?      ? 
1 1 1   13    9   19 o  137.722   6.6999   43.511   4.5870   76.059   8.8012   31.374   5.3746  167.721   9.7111  107.724   9.2332 59.99675 13.39988 
1 1 1   13    9   20 o  125.558   7.2801   44.492   4.5590   37.523   7.8320   48.063   5.6067  117.773   12.307  133.343   7.7813 -15.56914 14.56020 
1 1 1   13    9   21 o  789.203   13.647  1687.99   58.195  1669.14   81.678  1707.43   82.936  784.733   19.262  793.672   19.338 -8.939270 27.29427 
1 1 1   13    9   22 o  435.088   7.1050  514.260   16.110  520.977   20.332  502.928   26.409  438.975   8.5712  431.201   11.334 7.774872 14.21006 
1 1 1   13    9   23 o  431.746   5.9827  503.806   13.954  509.748   20.018  498.190   19.461  434.219   8.5313  429.272   8.3898 4.946594 11.96549 
1 1 1   13    9   24 o  499.841   9.2961  675.564   25.109   0.0000   0.0000  675.564   25.109  ?   ?   499.841   9.2961      ?      ? 
1 1 1   13    9   25 o  289.324   6.0023  231.655   9.0529  161.712   12.795  301.767   12.811  244.532   9.6832  334.115   7.0955 -89.58305 12.00461 
1 1 1   13    9   26 o  328.714   6.3054  273.214   10.098  336.487   19.829  251.059   11.734  352.685   10.405  304.743   7.1256 47.94260 12.61089 
1 1 1   13    9   27 o  761.931   11.506  1562.39   44.449  1541.66   54.019  1605.86   78.220  754.573   13.248  769.288   18.816 -14.71448 23.01244 
1 1 1   13    9   28 o  672.213   10.332  1203.28   34.876  1169.50   41.878  1279.73   63.005  657.375   11.789  687.051   16.971 -29.67639 20.66360 
1 1 1   13    9   29 o  482.048   9.1907  628.503   23.940   0.0000   0.0000  628.503   23.940  ?   ?   482.048   9.1907      ?      ? 
1 1 1   13    9   30 o  583.898   10.639  922.590   33.569   0.0000   0.0000  922.590   33.569  ?   ?   583.898   10.639      ?      ? 
1 1 1   13    9   31 o  353.787   5.5338  338.516   10.578  334.437   15.029  342.519   14.890  351.672   7.9088  355.903   7.7423 -4.230438 11.06768 
1 1 1   13    9   32 o  713.381   8.9456  1378.22   34.476  1356.25   48.135  1401.36   49.404  707.554   12.590  719.207   12.712 -11.65253 17.89121 
1 1 1   13    9   33 o  240.820   5.1481  156.053   6.6662  164.422   10.033  149.438   8.9196  246.563   7.5304  235.076   7.0218 11.48714 10.29626 
1 1 1   13    9   34 o  234.786   5.2041  148.936   6.5814  133.148   9.1381  165.951   9.4867  221.863   7.6222  247.709   7.0874 -25.84566 10.40815 
1 1 1   13    9   35 f  390.892   5.7910  413.306   12.225  419.929   17.635  407.179   16.963  393.898   8.2854  387.887   8.0928 6.010529 11.58198 
1 1 1   13    9   36 o  590.945   7.6504  946.379   24.426  954.502   34.910  938.588   34.189  593.417   10.887  588.473   10.751 4.944153 15.30082 
1 1 1   13    9   37 o  212.057   7.2873  121.690   8.3504   0.0000   0.0000  121.690   8.3504  ?   ?   212.057   7.2873      ?      ? 
1 1 1   13    9   38 f  179.282   5.4867   87.177   5.3059   83.748   7.6360   90.377   7.3780  175.854   8.0357  182.710   7.4728 -6.856445 10.97342 
1 1 1   13    9   39 o  460.103   6.3759  573.916   15.852  573.115   22.469  574.709   22.367  459.779   9.0437  460.427   8.9899 -0.6480103 12.75177 
1 1 1   13    9   40 o   71.903   11.016   14.419   4.1305   16.825   6.3316   12.637   5.4499   77.101   15.730   66.705   15.427 10.39535 22.03240 
1 1 1   13    9   41 o  307.297   5.2862  255.660   8.7695  261.886   12.739  250.051   12.090  310.835   7.5844  303.758   7.3657 7.076721 10.57246 
1 1 1   13    9   42 o  167.088   5.6957   74.888   5.1127   86.288   7.6975   65.888   6.8393  178.344   7.9874  155.833   8.1220 22.51189 11.39149 
1 1 1   13    9   43 o  360.005   5.5984  351.026   10.878  364.059   15.860  339.448   14.948  366.286   8.0131  353.724   7.8205 12.56137 11.19689 
1 1 1   13    9   44 o  170.714   8.4108   83.175   6.7954   87.501   8.0130   72.095   12.823  179.469   8.2626  161.959   14.652 17.50980 16.82154 
1 1 1   13    9   45 o  314.207   8.1585  269.913   13.846  281.306   19.799  259.009   19.370  320.730   11.424  307.683   11.651 13.04730 16.31702 
1 1 1   13    9   46 o  245.639   8.1676  165.038   10.825  162.185   14.858  168.266   15.804  243.450   11.294  247.828   11.802 -4.378067 16.33524 
1 1 1   13    9   47 o  350.084   5.5924  333.411   10.576  336.656   15.184  330.355   14.738  351.712   7.9896  348.456   7.8272 3.256409 11.18472 
1 1 1   13    9   48 o  289.096   5.3007  226.383   8.2590  244.065   12.226  211.540   11.201  299.410   7.5566  278.781   7.4356 20.62958 10.60141 
1 1 1   13    9   49 f  226.227   5.1847  138.643   6.3204  149.251   9.3744  129.801   8.5580  234.102   7.4106  218.353   7.2532 15.74939 10.36942 
1 1 1   13    9   50 o  121.694   6.9399   40.769   4.5473   38.904   6.6191   42.436   6.2578  118.954   10.297  124.434   9.3066 -5.479836 13.87982 
1 1 1   13    9   51 o  144.104   6.2244   56.834   4.8434   59.355   7.0053   54.526   6.7039  147.159   8.8096  141.048   8.7957 6.110565 12.44883 
1 1 1   13    9   52 o   36.611   11.069  -0.5216   4.0182   2.7421   5.7971  -3.5397   5.5747   41.765   16.788   31.458   14.433 10.30695 22.13884 
1 1 1   13    9   53 o  214.730   5.3694  125.375   6.2078  140.811   9.1790  112.364   8.4273  226.870   7.4874  202.590   7.6980 24.27980 10.73876 
1 1 1   13    9   54 o  136.501   6.6644   51.463   4.9145   51.007   7.0068   51.904   6.8948  135.868   9.5437  137.133   9.3044 -1.264801 13.32872 
1 1 1   13    9   55 o  177.342   5.7941   86.647   5.5455   83.241   7.9285   89.910   7.7593  173.827   8.4408  180.857   7.9396 -7.029480 11.58811 
1 1 1   13    9   56 o  196.782   5.6564  106.659   6.0112  105.536   8.6230  107.722   8.3841  195.702   8.1541  197.863   7.8416 -2.161392 11.31284 
1 1 1   13    9   57 o  267.287   5.5155  196.655   7.9615  197.363   11.466  195.997   11.064  267.669   7.9271  266.905   7.6710 0.7647705 11.03106 
1 1 1   13    9   58 o  217.683   7.4588  132.692   8.7540  138.018   12.905  128.153   11.914  221.536   10.780  213.830   10.311 7.706375 14.91769 
1 1 1   13    9   59 o  198.287   7.9128  111.834   8.4751  111.892   12.152  111.779   11.825  198.196   11.347  198.377   11.031 -0.1803894 15.82555 
1 1 1   13    9   60 o   66.428   15.154   14.166   6.4914   8.5698   9.0775   20.023   9.2864   55.500   21.399   77.357   21.462 -21.85723 30.30719 
1 1 1   13    9   61 o  147.842   7.9849   62.818   6.2621   76.275   8.8850   49.536   8.8273  164.552   9.9924  131.132   12.457 33.42044 15.96985 
1 1 1   13    9   62 o  126.911   8.5002   47.468   5.7772   56.598   8.5018   39.635   7.8746  138.808   11.335  115.013   12.670 23.79425 17.00041 
1 1 1   13    9   63 o  119.761   8.6967   42.026   5.6105   44.734   8.3455   39.793   7.5786  123.061   12.550  116.460   12.043 6.600983 17.39345 
1 1 1   13   10    0 o  430.566   11.739  501.802   27.312  501.802   27.312   0.0000   0.0000  430.566   11.739  ?   ?       ?      ? 
1 1 1   13   10    1 o  631.730   11.246  1081.86   38.389  1079.05   54.239  1084.69   54.343  630.907   15.910  632.553   15.898 -1.645447 22.49170 
1 1 1   13   10    2 o  263.657   6.3402  187.643   9.0239  178.018   12.452  198.288   13.095  256.550   8.9823  270.763   8.9504 -14.21353 12.68030 
1 1 1   13   10    3 o  283.303   6.4974  216.719   9.9381  207.162   13.725  227.252   14.409  276.749   9.1776  289.857   9.1997 -13.10803 12.99473 
1 1 1   13   10    4 o  476.799   8.8914  615.232   22.901  625.676   32.892  605.405   31.905  480.717   12.662  472.880   12.486 7.837372 17.78272 
1 1 1   13   10    5 o  419.209   8.0573  475.269   18.244  464.640   25.338  486.712   26.289  414.351   11.316  424.068   11.472 -9.717621 16.11459 
1 1 1   13   10    6 o  316.514   6.7488  269.669   11.511  253.378   15.591  289.189   17.067  306.062   9.4273  326.966   9.6599 -20.90457 13.49769 
1 1 1   13   10    7 f  562.090   10.123  855.448   30.737  841.667   42.858  870.045   44.108  557.439   14.228  566.741   14.403 -9.302185 20.24530 
1 1 1   13   10    8 o  277.758   6.3237  208.618   9.4906  204.775   13.350  212.545   13.495  275.171   8.9780  280.346   8.9081 -5.174225 12.64749 
1 1 1   13   10    9 o  862.916   14.870  2020.93   69.315  1990.77   96.604  2052.93   99.512  856.313   20.877  869.519   21.179 -13.20557 29.73924 
1 1 1   13   10   10 o  379.580   7.4764  389.705   15.333  386.937   21.503  392.568   21.871  378.212   10.522  380.949   10.624 -2.737488 14.95275 
1 1 1   13   10   12 o  938.705   16.086  2387.05   81.595   0.0000   0.0000  2387.05   81.595  ?   ?   938.705   16.086      ?      ? 
1 1 1   13   10   14 o  910.815   15.613  2246.44   76.844   0.0000   0.0000  2246.44   76.844  ?   ?   910.815   15.613      ?      ? 
1 1 1   13   10   15 o  788.572   13.844  1682.90   58.990   0.0000   0.0000  1682.90   58.990  ?   ?   788.572   13.844      ?      ? 
1 1 1   13   10   16 o  399.950   8.4006  432.430   18.155   0.0000   0.0000  432.430   18.155  ?   ?   399.950   8.4006      ?      ? 
1 1 1   13   10   17 o  740.626   10.571  1483.31   42.308   0.0000   0.0000  1483.31   42.308  ?   ?   740.626   10.571      ?      ? 
1 1 1   13   10   18 o  779.266   11.860  1630.44   46.399  1681.98   83.272  1607.24   55.876  787.807   19.561  770.726   13.417 17.08197 23.72001 
1 1 1   13   10   19 o  541.224   8.7150  790.240   23.819  798.649   42.075  786.274   28.895  543.214   14.334  539.234   9.9166 3.980347 17.42996 
1 1 1   13   10   20 o  724.292   9.0079  1417.53   35.223  1378.33   48.563  1461.05   51.165  713.751   12.591  734.834   12.885 -21.08240 18.01588 
1 1 1   13   10   21 o  647.301   8.1809  1131.82   28.588  1099.10   39.390  1168.22   41.555  637.442   11.436  657.161   11.702 -19.71863 16.36186 
1 1 1   13   10   23 o  784.372   9.6884  1661.58   40.999  1604.40   56.097  1727.16   60.069  769.937   13.483  798.807   13.916 -28.87000 19.37683 
1 1 1   13   10   24 o  848.420   10.426  1948.84   47.792  1926.52   66.950  1972.02   68.247  843.476   14.689  853.364   14.800 -9.888367 20.85183 
1 1 1   13   10   25 o  968.352   11.784  2536.97   61.578  2456.49   84.436  2628.41   90.000  952.025   16.413  984.680   16.915 -32.65503 23.56893 
1 1 1   13   10   26 o  883.090   12.929  2144.63   60.848  1831.31   88.956  2420.14   83.415  821.280   20.045  944.901   16.337 -123.6208 25.85877 
1 1 1   13   10   27 o  223.045   6.3193  141.597   7.1153  112.230   11.693  158.864   8.9663  203.673   10.625  242.417   6.8448 -38.74353 12.63860 
1 1 1   13   10   28 o  210.348   5.7506  119.367   6.5270  114.564   8.9425  124.842   9.5485  205.833   8.0400  214.863   8.2241 -9.030716 11.50117 
1 1 1   13   10   29 o  575.553   7.5240  896.414   23.400  894.256   33.131  898.561   33.054  574.859   10.666  576.246   10.615 -1.386475 15.04799 
1 1 1   13   10   31 o  520.941   6.9686  734.449   19.615  732.035   27.872  736.818   27.609  520.088   9.9177  521.795   9.7919 -1.707092 13.93711 
1 1 1   13   10   32 o  151.389   8.1261   61.997   6.6476   0.0000   0.0000   61.997   6.6476  ?   ?   151.389   8.1261      ?      ? 
1 1 1   13   10   33 o  147.015   6.3718   58.235   4.9990   60.070   7.7555   56.930   6.5385  148.971   9.6343  145.058   8.3415 3.912949 12.74368 
1 1 1   13   10   34 o  683.087   12.172  1265.34   44.930   0.0000   0.0000  1265.34   44.930  ?   ?   683.087   12.172      ?      ? 
1 1 1   13   10   35 o  312.740   5.3537  264.741   9.0396  262.757   13.031  266.581   12.550  311.600   7.7393  313.881   7.3994 -2.280670 10.70736 
1 1 1   13   10   36 o  142.223   6.4467   52.835   4.8503   71.026   7.6577   40.647   6.2679  161.953   8.7503  122.493   9.4695 39.46014 12.89338 
1 1 1   13   10   37 o  266.794   5.1930  192.634   7.4724  193.360   10.918  191.995   10.249  267.252   7.5603  266.337   7.1212 0.9152527 10.38606 
1 1 1   13   10   38 o  192.212   5.4961  100.491   5.6790   94.955   8.3228  105.314   7.7685  187.209   8.2273  197.215   7.2897 -10.00612 10.99215 
1 1 1   13   10   39 f  391.258   5.8567  414.469   12.370  424.437   17.970  405.490   17.055  395.707   8.4038  386.810   8.1596 8.896942 11.71339 
1 1 1   13   10   40 o  390.530   5.8432  413.573   12.330  413.346   17.562  413.794   17.314  390.413   8.3245  390.646   8.2021 -0.2326050 11.68641 
1 1 1   13   10   41 o  100.711   8.1188   27.425   4.3853   29.275   6.7012   26.039   5.7994  103.623   11.968   97.799   10.974 5.823914 16.23750 
1 1 1   13   10   42 o  371.032   7.9421  373.480   15.923   0.0000   0.0000  373.480   15.923  ?   ?   371.032   7.9421      ?      ? 
1 1 1   13   10   43 o  127.398   9.6914   41.668   6.0390   38.249   7.0377   51.216   11.761  118.436   10.997  136.360   15.961 -17.92468 19.38274 
1 1 1   13   10   44 o  339.502   8.2996  314.352   15.203  337.162   22.182  294.144   20.878  351.098   11.692  327.905   11.783 23.19339 16.59929 
1 1 1   13   10   45 o  251.463   8.1634  173.069   11.086  181.059   15.773  165.270   15.584  257.253   11.347  245.673   11.739 11.57962 16.32688 
1 1 1   13   10   46 o   46.879   13.353   0.1761   4.7769   9.0833   9.5604  -2.7875   5.5146   61.205   22.291   32.553   14.708 28.65218 26.70567 
1 1 1   13   10   47 o  245.949   5.2495  164.646   6.9746  161.793   9.9246  167.431   9.8038  243.818   7.5328  248.081   7.3133 -4.263245 10.49893 
1 1 1   13   10   48 o  156.304   6.1193   66.303   5.1523   72.202   7.6592   61.427   6.9632  162.604   8.7169  150.004   8.5905 12.60001 12.23853 
1 1 1   13   10   49 f  163.861   5.9383   73.532   5.2435   68.225   7.4850   78.646   7.3477  157.960   8.7692  169.762   8.0099 -11.80229 11.87670 
1 1 1   13   10   50 o  169.720   5.8000   78.719   5.3122   79.912   7.7377   77.655   7.3060  170.891   8.3793  168.549   8.0217 2.341980 11.60001 
1 1 1   13   10   51 o  106.848   8.1409   32.180   4.6088   25.903   6.6664   37.928   6.3787   96.375   12.801  117.321   10.062 -20.94513 16.28178 
1 1 1   13   10   52 o   80.159   10.259   18.541   4.3058   17.617   6.4452   19.286   5.7867   77.350   15.950   82.967   12.907 -5.617332 20.51818 
1 1 1   13   10   53 o  112.130   7.5956   34.704   4.5809   36.835   6.8862   33.012   6.1354  115.108   11.071  109.151   10.402 5.956467 15.19123 
1 1 1   13   10   54 o  306.918   5.4591  258.227   9.0447  264.827   13.148  252.296   12.462  310.566   7.8345  303.270   7.6046 7.296539 10.91828 
1 1 1   13   10   55 o  284.097   5.4486  221.842   8.3616  222.547   11.989  221.173   11.668  284.478   7.7992  283.717   7.6105 0.7607422 10.89713 
1 1 1   13   10   56 o   80.756   13.024   19.882   5.3702   20.403   9.0597   19.600   6.6680   80.435   20.718   81.076   15.788 -0.6415863 26.04742 
1 1 1   13   10   57 o  194.242   7.5566  106.116   7.8990  103.716   11.624  108.176   10.767  191.827   11.214  196.657   10.132 -4.829834 15.11319 
1 1 1   13   10   58 o  296.633   7.6528  247.465   12.238  255.856   18.043  240.315   16.654  300.967   11.094  292.299   10.544 8.668335 15.30554 
1 1 1   13   10   59 o   79.076   12.437   19.902   5.3904   12.981   7.6235   26.821   7.6228   63.107   19.960   95.046   14.842 -31.93898 24.87318 
1 1 1   13   10   60 o  109.444   13.942   34.926   8.2451   34.926   8.2451   0.0000   0.0000  109.444   13.942  ?   ?       ?      ? 
1 1 1   13   10   61 o  165.348   7.1943   78.104   6.4271   78.941   9.1804   77.298   9.0009  166.173   10.224  164.522   10.125 1.651443 14.38861 
1 1 1   13   10   62 o   69.608   13.526   16.712   5.4655   11.509   7.8803   21.536   7.5868   58.290   20.344   80.926   17.830 -22.63651 27.05210 
1 1 1   13   10   63 o  115.960   9.0854   40.100   5.5794   51.574   8.3074   30.671   7.5306  131.999   11.647   99.920   13.947 32.07944 18.17075 
1 1 1   13   11    0 o  127.243   5.8838   43.684   4.0410   46.193   5.8779   41.436   5.5647  130.699   8.3227  123.787   8.3191 6.912086 11.76757 
1 1 1   13   11    1 o  528.756   9.8435  756.280   28.125   0.0000   0.0000  756.280   28.125  ?   ?   528.756   9.8435      ?      ? 
1 1 1   13   11    2 o  437.581   6.1195  517.717   14.466  521.708   20.711  513.915   20.215  439.224   8.7263  435.938   8.5816 3.286316 12.23891 
1 1 1   13   11    3 o  734.752   9.1706  1461.27   36.407  1447.04   51.051  1476.00   51.935  731.117   12.922  738.387   13.016 -7.269897 18.34124 
1 1 1   13   11    4 o  706.012   12.525  1349.13   47.782   0.0000   0.0000  1349.13   47.782  ?   ?   706.012   12.525      ?      ? 
1 1 1   13   11    5 o  718.396   12.719  1396.88   49.376   0.0000   0.0000  1396.88   49.376  ?   ?   718.396   12.719      ?      ? 
1 1 1   13   11    6 o  875.630   10.756  2076.64   50.891  2065.93   71.671  2087.53   72.275  873.357   15.187  877.904   15.235 -4.547485 21.51169 
1 1 1   13   11    9 o  206.702   7.0535  115.496   7.8783   0.0000   0.0000  115.496   7.8783  ?   ?   206.702   7.0535      ?      ? 
1 1 1   13   11   10 o  132.485   6.7312   47.573   4.7971   53.131   6.8168   42.120   6.7518  140.175   8.9997  124.796   10.012 15.37850 13.46248 
1 1 1   13   11   11 o  638.672   9.3832  1103.00   32.383   0.0000   0.0000  1103.00   32.383  ?   ?   638.672   9.3832      ?      ? 
1 1 1   13   11   12 o  312.206   5.9865  263.438   10.100   0.0000   0.0000  263.438   10.100  ?   ?   312.206   5.9865      ?      ? 
1 1 1   13   11   13 f  164.561   6.7983   73.195   6.0453   0.0000   0.0000   73.195   6.0453  ?   ?   164.561   6.7983      ?      ? 
1 1 1   13   11   14 o  1096.27   13.235  3251.61   78.402   0.0000   0.0000  3251.61   78.402  ?   ?   1096.27   13.235      ?      ? 
1 1 1   13   11   15 o  665.747   11.812  1198.80   42.494   0.0000   0.0000  1198.80   42.494  ?   ?   665.747   11.812      ?      ? 
1 1 1   13   11   16 o  445.517   6.2828  536.441   15.125   0.0000   0.0000  536.441   15.125  ?   ?   445.517   6.2828      ?      ? 
1 1 1   13   11   17 o  630.774   8.0664  1075.58   27.494   0.0000   0.0000  1075.58   27.494  ?   ?   630.774   8.0664      ?      ? 
1 1 1   13   11   18 o  262.252   6.0280  162.516   7.0579  229.505   16.260  146.964   7.8344  291.316   10.329  233.187   6.2175 58.12973 12.05593 
1 1 1   13   11   19 o  626.010   9.8409  1050.89   30.905  1086.71   55.577  1034.85   37.185  633.470   16.236  618.549   11.125 14.92102 19.68189 
1 1 1   13   11   20 o  867.164   10.624  2032.79   49.726  1975.78   68.408  2096.66   72.410  854.314   14.818  880.014   15.227 -25.69940 21.24744 
1 1 1   13   11   21 o  655.760   11.730  1163.30   41.565   0.0000   0.0000  1163.30   41.565  ?   ?   655.760   11.730      ?      ? 
1 1 1   13   11   22 o  781.641   9.6965  1651.79   40.921  1608.00   56.472  1700.19   59.378  770.764   13.559  792.518   13.865 -21.75354 19.39301 
1 1 1   13   11   23 o  487.523   9.2834  642.772   24.456   0.0000   0.0000  642.772   24.456  ?   ?   487.523   9.2834      ?      ? 
1 1 1   13   11   24 o   81.685   12.233   18.060   5.3997   0.0000   0.0000   18.060   5.3997  ?   ?    81.685   12.233      ?      ? 
1 1 1   13   11   25 o   84.685   11.865   19.409   5.4295   0.0000   0.0000   19.409   5.4295  ?   ?    84.685   11.865      ?      ? 
1 1 1   13   11   26 o  994.804   17.101  2683.22   91.930   0.0000   0.0000  2683.22   91.930  ?   ?   994.804   17.101      ?      ? 
1 1 1   13   11   27 o  863.460   12.842  2054.00   58.105  1887.39   92.247  2163.58   74.810  833.479   20.482  893.441   15.496 -59.96155 25.68309 
1 1 1   13   11   28 o  730.934   9.1896  1445.27   36.272  1405.57   50.180  1488.71   52.490  720.447   12.890  741.420   13.101 -20.97296 18.37911 
1 1 1   13   11   29 o  439.299   7.4601  516.201   16.947  502.087   20.968  542.793   28.781  430.833   9.0066  447.764   11.895 -16.93109 14.92024 
1 1 1   13   11   30 o  193.695   7.4971  101.465   7.8469   0.0000   0.0000  101.465   7.8469  ?   ?   193.695   7.4971      ?      ? 
1 1 1   13   11   31 o  687.466   8.7032  1280.43   32.330  1276.14   45.824  1284.68   45.620  686.312   12.356  688.620   12.260 -2.308105 17.40637 
1 1 1   13   11   32 o  297.780   7.3409  239.838   11.812   0.0000   0.0000  239.838   11.812  ?   ?   297.780   7.3409      ?      ? 
1 1 1   13   11   33 o  226.990   7.0628  139.384   8.6631   0.0000   0.0000  139.384   8.6631  ?   ?   226.990   7.0628      ?      ? 
1 1 1   13   11   34 o  620.074   7.9908  1041.69   26.763  1018.19   37.196  1066.93   38.538  612.839   11.232  627.310   11.369 -14.47150 15.98166 
1 1 1   13   11   35 o  433.924   6.2167  509.780   14.568  512.968   20.994  506.819   20.233  435.217   8.9268  432.631   8.6546 2.586029 12.43345 
1 1 1   13   11   36 o  427.147   6.1569  494.258   14.209  484.327   20.044  504.290   20.147  422.826   8.7729  431.469   8.6410 -8.643005 12.31381 
1 1 1   13   11   37 o  237.092   5.3310  151.945   6.8054  155.459   10.109  149.033   9.2029  239.574   7.8091  234.610   7.2592 4.964523 10.66197 
1 1 1   13   11   38 o  281.681   7.3297  214.899   11.157   0.0000   0.0000  214.899   11.157  ?   ?   281.681   7.3297      ?      ? 
1 1 1   13   11   39 o  251.667   5.3113  171.318   7.1885  174.742   10.749  168.547   9.6690  253.906   7.8343  249.429   7.1738 4.476593 10.62256 
1 1 1   13   11   40 o  139.177   8.7057   52.583   6.5472   0.0000   0.0000   52.583   6.5472  ?   ?   139.177   8.7057      ?      ? 
1 1 1   13   11   41 o  215.015   5.4155  124.409   6.2491  133.413   9.5245  117.603   8.2805  221.762   7.9482  208.268   7.3578 13.49365 10.83099 
1 1 1   13   11   42 o  279.212   11.768  212.793   17.755   0.0000   0.0000  212.793   17.755  ?   ?   279.212   11.768      ?      ? 
1 1 1   13   11   43 f  208.635   8.7417  118.953   9.8451  113.964   13.553  124.527   14.325  204.028   12.293  213.242   12.432 -9.214172 17.48347 
1 1 1   13   11   44 o  269.569   8.1817  199.058   11.900  211.329   16.827  186.779   16.833  277.996   11.201  261.142   11.929 16.85452 16.36344 
1 1 1   13   11   45 o  136.471   11.281   52.461   8.1822   59.212   11.153   44.595   12.040  146.518   14.087  126.425   17.624 20.09260 22.56260 
1 1 1   13   11   46 o   37.335   11.398  -0.6702   4.1646   1.2461   6.4434  -2.0452   5.4579   41.372   17.277   33.297   14.870 8.074856 22.79526 
1 1 1   13   11   47 o  112.439   8.0373   35.834   4.7246   27.164   6.9558   43.261   6.4373   99.119   12.987  125.759   9.4728 -26.64030 16.07463 
1 1 1   13   11   48 o  370.566   5.7943  374.685   11.600  364.229   16.286  385.452   16.527  365.294   8.2505  375.837   8.1378 -10.54373 11.58855 
1 1 1   13   11   49 o  135.652   6.8634   50.358   4.9876   51.908   7.6156   49.194   6.5999  137.343   10.262  133.960   9.1174 3.382446 13.72682 
1 1 1   13   11   50 o  117.291   7.6469   38.176   4.7998   36.544   7.2155   39.471   6.4283  114.833   11.628  119.750   9.9342 -4.917564 15.29386 
1 1 1   13   11   51 o   32.176   10.482  -4.1440   4.2447  -6.9903   6.5892  -2.1251   5.5495   31.210   14.764   33.141   14.883 -1.931587 20.96363 
1 1 1   13   11   52 o   66.487   12.227   12.948   4.4156   15.587   6.7696   10.993   5.8254   72.126   17.539   60.847   17.040 11.27940 24.45329 
1 1 1   13   11   53 o   83.136   10.481   19.647   4.5572   24.967   6.9187   15.571   6.0567   93.920   13.633   72.352   15.923 21.56812 20.96186 
1 1 1   13   11   54 f  245.053   6.5501  163.339   8.2415  175.315   14.254  157.324   10.101  250.850   10.515  239.256   7.8131 11.59416 13.10028 
1 1 1   13   11   55 o  115.564   9.9822   36.658   6.1000   46.914   9.9345   30.450   7.7285  127.884   14.376  103.244   13.853 24.64006 19.96447 
1 1 1   13   11   56 o  160.443   8.3635   71.512   7.1485   79.707   11.295   66.036   9.2330  167.597   12.472  153.288   11.147 14.30847 16.72695 
1 1 1   13   11   57 o  147.449   7.8078   60.737   6.1934   55.397   8.3035   67.432   9.2982  140.255   10.956  154.644   11.127 -14.38878 15.61554 
1 1 1   13   11   58 f   46.930   13.088   4.4364   5.0227   8.4818   7.4523   1.0693   6.7989   53.786   19.666   40.074   17.275 13.71227 26.17642 
1 1 1   13   11   59 o  131.305   8.1440   49.143   5.7457   49.419   8.5935   48.920   7.7269  131.270   12.115  131.340   10.887 -0.6948853E-01 16.28803 
1 1 1   13   11   60 o   62.379   14.223   12.468   5.4531   14.519   8.1082   10.773   7.3686   66.356   20.524   58.401   19.695 7.954899 28.44517 
1 1 1   13   11   61 o  108.752   9.7074   36.451   5.6016   32.158   8.3435   39.974   7.5583  101.437   15.222  116.066   12.051 -14.62920 19.41475 
1 1 1   13   11   62 o   63.691   13.738   14.038   5.1747   12.892   7.8230   14.929   6.8998   60.958   20.292   66.423   18.525 -5.465034 27.47634 
1 1 1   13   12    0 o  419.826   6.0425  476.588   13.707  475.310   19.509  477.833   19.261  419.268   8.6110  420.384   8.4792 -1.115814 12.08497 
1 1 1   13   12    1 o  502.293   6.8024  682.323   18.463  677.115   26.091  687.547   26.131  500.371   9.6495  504.214   9.5906 -3.842590 13.60487 
1 1 1   13   12    2 o  178.139   7.3296   85.786   7.0555   0.0000   0.0000   85.786   7.0555  ?   ?   178.139   7.3296      ?      ? 
1 1 1   13   12    3 o  568.183   7.4510  872.496   22.865  851.466   31.709  895.275   33.000  561.061   10.459  575.304   10.615 -14.24274 14.90208 
1 1 1   13   12    4 o  839.414   10.352  1907.77   46.953  1893.68   65.992  1922.21   66.820  836.281   14.603  842.547   14.677 -6.267029 20.70407 
1 1 1   13   12    5 o  453.203   6.3739  555.082   15.604  544.246   21.717  566.647   22.435  448.635   8.9581  457.770   9.0698 -9.135193 12.74784 
1 1 1   13   12    6 o  695.376   8.8152  1307.02   33.098  1273.53   45.729  1343.87   47.967  686.041   12.335  704.710   12.596 -18.66901 17.63044 
1 1 1   13   12    7 o  615.087   7.9773  1023.08   26.508  1008.31   36.997  1038.67   37.999  610.529   11.214  619.645   11.348 -9.116089 15.95457 
1 1 1   13   12    9 o  755.378   11.686  1533.11   44.311  1512.72   53.369  1578.38   79.504  747.682   13.209  763.075   19.281 -15.39294 23.37214 
1 1 1   13   12   10 o  574.704   8.4697  904.249   23.485  869.369   44.339  917.849   27.687  566.748   14.478  582.660   8.7938 -15.91180 16.93931 
1 1 1   13   12   11 o  268.595   7.8167  195.014   11.345   0.0000   0.0000  195.014   11.345  ?   ?   268.595   7.8167      ?      ? 
1 1 1   13   12   12 o  1050.71   12.724  2986.56   72.241   0.0000   0.0000  2986.56   72.241  ?   ?   1050.71   12.724      ?      ? 
1 1 1   13   12   13 o  849.865   14.732  1954.75   67.656   0.0000   0.0000  1954.75   67.656  ?   ?   849.865   14.732      ?      ? 
1 1 1   13   12   14 o  833.982   10.283  1880.81   46.340   0.0000   0.0000  1880.81   46.340  ?   ?   833.982   10.283      ?      ? 
1 1 1   13   12   15 o  449.017   6.3114  544.916   15.314   0.0000   0.0000  544.916   15.314  ?   ?   449.017   6.3114      ?      ? 
1 1 1   13   12   16 o  613.319   11.073  1017.41   36.698   0.0000   0.0000  1017.41   36.698  ?   ?   613.319   11.073      ?      ? 
1 1 1   13   12   17 o  492.974   9.3584  657.114   24.930   0.0000   0.0000  657.114   24.930  ?   ?   492.974   9.3584      ?      ? 
1 1 1   13   12   18 o  352.661   7.6297  336.200   14.540   0.0000   0.0000  336.200   14.540  ?   ?   352.661   7.6297      ?      ? 
1 1 1   13   12   19 o  289.502   6.4329  221.817   9.1032  237.838   17.280  215.664   10.710  296.540   10.784  282.464   7.0166 14.07605 12.86582 
1 1 1   13   12   20 o  725.440   9.1043  1422.68   35.665  1386.10   49.340  1462.72   51.612  715.694   12.758  735.187   12.992 -19.49286 18.20866 
1 1 1   13   12   22 o  810.197   14.176  1777.69   62.062   0.0000   0.0000  1777.69   62.062  ?   ?   810.197   14.176      ?      ? 
1 1 1   13   12   23 o  350.744   5.6872  332.428   10.770  314.194   15.040  351.623   15.431  340.874   8.1650  360.615   7.9189 -19.74161 11.37435 
1 1 1   13   12   24 o  810.305   10.069  1776.16   44.052  1728.84   60.812  1828.41   63.901  798.984   14.085  821.626   14.393 -22.64154 20.13828 
1 1 1   13   12   25 o  390.014   8.2369  411.325   17.359   0.0000   0.0000  411.325   17.359  ?   ?   390.014   8.2369      ?      ? 
1 1 1   13   12   26 o   89.636   11.056   23.140   5.0007   18.263   7.8674   26.447   6.4775   80.435   18.488   98.838   12.128 -18.40289 22.11121 
1 1 1   13   12   27 o  419.809   6.2388  476.776   14.150  466.970   20.061  486.484   19.960  415.507   8.9350  424.112   8.7095 -8.604401 12.47756 
1 1 1   13   12   28 o  675.501   10.402  1257.70   36.807  1144.59   58.314  1332.60   47.454  649.529   16.614  701.473   12.519 -51.94373 20.80308 
1 1 1   13   12   29 o  364.083   6.7758  355.338   12.921  345.421   16.266  372.297   21.271  357.331   8.4241  370.834   10.615 -13.50317 13.55152 
1 1 1   13   12   30 f  531.898   8.5356  766.399   23.531  766.376   29.384  766.441   39.289  532.085   10.220  531.710   13.674 0.3745728 17.07121 
1 1 1   13   12   31 o  511.104   6.9896  704.958   19.239  733.852   28.617  681.126   25.990  520.599   10.173  501.609   9.5885 18.99002 13.97924 
1 1 1   13   12   32 o  375.178   5.8592  380.823   11.870  361.556   16.619  400.892   16.961  365.483   8.4148  384.872   8.1554 -19.38953 11.71836 
1 1 1   13   12   33 o  143.605   8.4822   55.827   6.5821   0.0000   0.0000   55.827   6.5821  ?   ?   143.605   8.4822      ?      ? 
1 1 1   13   12   34 o  544.906   10.164  804.706   29.928   0.0000   0.0000  804.706   29.928  ?   ?   544.906   10.164      ?      ? 
1 1 1   13   12   35 o  566.421   10.459  870.164   32.013   0.0000   0.0000  870.164   32.013  ?   ?   566.421   10.459      ?      ? 
1 1 1   13   12   36 o  321.122   5.4949  279.138   9.5118  281.574   13.973  277.035   12.985  322.401   8.0206  319.844   7.5129 2.557281 10.98973 
1 1 1   13   12   37 o  251.886   5.3838  171.506   7.2875  175.277   10.947  168.505   9.7657  254.335   7.9655  249.436   7.2453 4.899780 10.76769 
1 1 1   13   12   38 o  118.910   7.6571   38.346   4.7941   38.844   7.7220   38.034   6.1153  119.457   11.963  118.364   9.5612 1.093323 15.31411 
1 1 1   13   12   39 o  139.903   6.7242   53.024   4.9920   54.004   7.8709   52.364   6.4568  140.911   10.337  138.896   8.6028 2.015121 13.44839 
1 1 1   13   12   40 o  257.046   7.3840  179.143   10.256   0.0000   0.0000  179.143   10.256  ?   ?   257.046   7.3840      ?      ? 
1 1 1   13   12   41 o  569.830   9.4698  884.355   27.167  876.592   32.858  901.126   48.297  567.223   10.720  572.438   15.614 -5.215637 18.93964 
1 1 1   13   12   42 o  477.854   9.7795  626.256   25.231  649.324   36.618  605.405   34.814  486.159   13.939  469.550   13.721 16.60861 19.55896 
1 1 1   13   12   43 o  157.672   10.275   68.454   8.7494   66.059   12.148   71.036   12.612  154.810   14.522  160.533   14.539 -5.722794 20.54909 
1 1 1   13   12   44 o  248.734   8.2878  169.466   11.114  168.514   15.193  170.563   16.300  248.096   11.333  249.372   12.096 -1.276489 16.57559 
1 1 1   13   12   45 o  174.116   5.9618   82.260   5.5762   85.751   8.4231   79.536   7.4399  177.326   8.7904  170.906   8.0561 6.420242 11.92357 
1 1 1   13   12   46 o   73.100   11.702   15.191   4.4923   18.565   6.9133   12.726   5.9102   80.060   16.528   66.139   16.571 13.92062 23.40450 
1 1 1   13   12   47 f  310.993   7.6608  263.578   12.874   0.0000   0.0000  263.578   12.874  ?   ?   310.993   7.6608      ?      ? 
1 1 1   13   12   48 o  222.733   5.5512  134.805   6.6604  143.383   9.9080  127.732   8.9964  229.121   8.0026  216.344   7.6955 12.77769 11.10234 
1 1 1   13   12   49 f  161.721   6.2312   71.997   5.4001   69.020   8.0774   74.403   7.2613  158.516   9.4300  164.925   8.1478 -6.408493 12.46241 
1 1 1   13   12   50 o   77.550   11.328   17.751   4.5683   16.872   6.8140   18.470   6.1570   75.373   17.120   79.726   14.838 -4.353371 22.65505 
1 1 1   13   12   51 o  107.308   8.5076   32.091   4.8880   32.355   7.4387   31.891   6.4846  107.470   12.809  107.146   11.200 0.3236694 17.01517 
1 1 1   13   12   52 o   90.031   12.342   26.159   5.3323   18.403   9.4746   29.754   6.4510   76.823   21.808  103.238   11.564 -26.41527 24.68407 
1 1 1   13   12   53 o   55.279   14.312   6.7614   5.4967   13.025   9.3121   3.4122   6.8096   65.679   22.141   44.879   18.140 20.79961 28.62317 
1 1 1   13   12   54 o   93.376   12.215   23.759   5.8459   39.572   9.8275   15.099   7.2726  116.870   15.562   69.883   18.833 46.98654 24.43036 
1 1 1   13   12   55 o  108.605   9.5005   33.675   5.5655   35.473   7.8141   31.824   7.9288  111.757   12.939  105.453   13.914 6.304787 19.00097 
1 1 1   13   12   56 o   83.053   11.412   21.584   4.8906   15.510   7.4167   26.256   6.5052   70.142   19.067   95.964   12.545 -25.82249 22.82405 
1 1 1   13   12   57 o   95.877   10.920   28.369   5.3006   21.203   7.8399   34.403   7.1940   82.097   18.154  109.657   12.141 -27.56055 21.83986 
1 1 1   13   12   58 o   36.333   11.725  -3.1168   5.1288  -0.7631   7.4783  -5.2071   7.0474   39.284   17.485   33.381   15.626 5.903183 23.44962 
1 1 1   13   12   59 o  107.566   9.9288   33.670   5.7563   35.351   8.5164   32.256   7.8105  109.853   14.347  105.279   13.729 4.573769 19.85762 
1 1 1   13   12   60 o  108.554   10.008   35.428   5.8292   41.586   8.7862   30.586   7.7909  117.104   13.885  100.004   14.417 17.09996 20.01612 
1 1 1   13   12   61 o  126.725   8.4957   46.624   5.7943   51.643   8.6692   42.571   7.7899  132.786   12.082  120.665   11.947 12.12123 16.99144 
1 1 1   13   12   62 o   81.430   12.669   22.414   5.4460   27.936   8.0629   17.781   7.3853   91.881   16.861   70.979   18.914 20.90159 25.33821 
1 1 1   13   13    0 o  750.687   9.4005  1524.51   38.124  1499.60   53.237  1550.74   54.622  744.399   13.235  756.974   13.353 -12.57538 18.80107 
1 1 1   13   13    1 o  744.213   9.3328  1498.79   37.531  1491.94   52.957  1505.71   53.198  742.504   13.199  745.923   13.198 -3.418762 18.66560 
1 1 1   13   13    2 o  612.380   7.9170  1014.27   26.197  1005.22   36.830  1023.54   37.269  609.615   11.180  615.144   11.212 -5.528503 15.83394 
1 1 1   13   13    4 o  518.498   7.0318  726.674   19.697  712.266   27.497  741.858   28.229  513.223   9.9150  523.773   9.9739 -10.55017 14.06357 
1 1 1   13   13    5 o  407.652   6.1019  448.999   13.433  456.535   19.410  442.072   18.609  410.929   8.7410  404.374   8.5162 6.555023 12.20372 
1 1 1   13   13    6 o  363.469   5.7160  356.825   11.219  365.353   16.220  349.003   15.535  367.627   8.1652  359.311   8.0012 8.316162 11.43192 
1 1 1   13   13    8 o  316.228   12.171  270.496   20.797   0.0000   0.0000  270.496   20.797  ?   ?   316.228   12.171      ?      ? 
1 1 1   13   13    9 o  224.625   13.196  136.509   16.017   0.0000   0.0000  136.509   16.017  ?   ?   224.625   13.196      ?      ? 
1 1 1   13   13   10 o  224.435   6.8250  136.144   8.2772   0.0000   0.0000  136.144   8.2772  ?   ?   224.435   6.8250      ?      ? 
1 1 1   13   13   11 o  392.063   5.9323  415.426   12.568   0.0000   0.0000  415.426   12.568  ?   ?   392.063   5.9323      ?      ? 
1 1 1   13   13   12 o  358.724   7.7657  347.856   15.053   0.0000   0.0000  347.856   15.053  ?   ?   358.724   7.7657      ?      ? 
1 1 1   13   13   13 o  204.937   7.1120  113.525   7.8760   0.0000   0.0000  113.525   7.8760  ?   ?   204.937   7.1120      ?      ? 
1 1 1   13   13   14 o   92.614   10.880   23.199   5.4448   0.0000   0.0000   23.199   5.4448  ?   ?    92.614   10.880      ?      ? 
1 1 1   13   13   15 f  779.897   11.207  1645.18   47.231   0.0000   0.0000  1645.18   47.231  ?   ?   779.897   11.207      ?      ? 
1 1 1   13   13   16 o  470.837   9.6196  599.454   24.474   0.0000   0.0000  599.454   24.474  ?   ?   470.837   9.6196      ?      ? 
1 1 1   13   13   17 o  624.430   9.2559  1054.30   31.231   0.0000   0.0000  1054.30   31.231  ?   ?   624.430   9.2559      ?      ? 
1 1 1   13   13   18 o  545.076   10.160  803.540   29.925   0.0000   0.0000  803.540   29.925  ?   ?   545.076   10.160      ?      ? 
1 1 1   13   13   19 o  533.590   8.3348  756.549   20.169  795.946   42.742  745.264   22.876  542.158   14.590  525.022   8.0633 17.13647 16.66953 
1 1 1   13   13   20 o  391.155   6.9385  413.430   12.456  414.640   25.650  413.057   14.249  391.414   12.127  390.896   6.7457 0.5179749 13.87700 
1 1 1   13   13   23 o  664.601   11.977  1195.46   43.014   0.0000   0.0000  1195.46   43.014  ?   ?   664.601   11.977      ?      ? 
1 1 1   13   13   25 o  204.826   6.2207  114.070   6.8266  108.316   10.195  118.747   9.1915  200.102   9.4285  209.549   8.1173 -9.446487 12.44135 
1 1 1   13   13   26 o  586.294   10.838  930.262   34.337   0.0000   0.0000  930.262   34.337  ?   ?   586.294   10.838      ?      ? 
1 1 1   13   13   28 o  614.241   9.7761  1026.24   30.697  1012.61   52.605  1033.27   37.800  610.790   15.939  617.692   11.325 -6.902161 19.55226 
1 1 1   13   13   29 o  763.167   11.583  1607.05   46.287  1469.59   73.507  1697.37   59.584  735.161   18.504  791.173   13.937 -56.01178 23.16522 
1 1 1   13   13   30 o  416.918   7.3792  462.633   15.904  443.979   19.616  498.423   27.170  405.000   8.9631  428.836   11.725 -23.83609 14.75848 
1 1 1   13   13   31 o  236.247   6.3500  150.637   8.0723  146.227   10.861  156.081   12.066  232.413   8.6477  240.080   9.3010 -7.666458 12.70005 
1 1 1   13   13   32 o  800.690   9.9926  1741.36   43.229  1717.22   60.533  1766.49   61.754  795.041   14.090  806.339   14.173 -11.29883 19.98513 
1 1 1   13   13   33 o  356.026   7.9587  343.136   15.311   0.0000   0.0000  343.136   15.311  ?   ?   356.026   7.9587      ?      ? 
1 1 1   13   13   34 o  472.724   6.6555  605.770   16.999  594.088   24.035  617.460   24.044  468.150   9.5012  477.299   9.3225 -9.149200 13.31097 
1 1 1   13   13   35 o  425.589   8.6640  490.899   19.925   0.0000   0.0000  490.899   19.925  ?   ?   425.589   8.6640      ?      ? 
1 1 1   13   13   36 o  274.216   5.4747  203.711   8.0819  203.883   11.960  203.567   10.964  274.290   8.0690  274.142   7.4014 0.1476746 10.94940 
1 1 1   13   13   37 o  237.168   5.5436  153.872   7.0304  140.142   10.428  165.313   9.5192  227.314   8.4894  247.023   7.1314 -19.70990 11.08722 
1 1 1   13   13   38 o  482.517   6.7229  632.682   17.527  624.915   24.848  640.373   24.727  479.546   9.5890  485.488   9.4256 -5.942261 13.44582 
1 1 1   13   13   39 o  210.045   7.4924  119.634   8.5040   0.0000   0.0000  119.634   8.5040  ?   ?   210.045   7.4924      ?      ? 
1 1 1   13   13   40 o  556.848   9.3572  854.095   26.618  866.101   32.835  831.081   45.462  563.782   10.778  549.913   15.299 13.86963 18.71441 
1 1 1   13   13   41 o  437.486   9.4043  524.982   22.229  537.838   31.598  512.387   31.276  442.834   13.205  432.137   13.394 10.69705 18.80870 
1 1 1   13   13   42 o   76.782   17.242   15.871   7.9245   12.444   10.095   21.374   12.791   68.036   23.053   85.529   25.645 -17.49262 34.48307 
1 1 1   13   13   43 o  247.610   6.9098  165.185   8.3357  172.162   15.786  162.487   9.8158  250.681   11.653  244.540   7.4283 6.141464 13.81953 
1 1 1   13   13   44 f  199.775   5.9086  109.362   6.3326  102.145   9.3380  115.507   8.6168  193.520   8.9298  206.030   7.7398 -12.51013 11.81717 
1 1 1   13   13   45 o  118.242   7.8244   38.439   4.9597   38.106   7.4793   38.701   6.6262  117.658   11.764  118.826   10.320 -1.168053 15.64873 
1 1 1   13   13   46 o  108.243   8.5341   31.576   4.9221   36.998   7.7964   27.983   6.3469  115.711   12.469  100.774   11.655 14.93730 17.06815 
1 1 1   13   13   47 o  385.159   6.0271  405.709   12.542  397.793   17.741  413.618   17.734  381.357   8.6092  388.962   8.4372 -7.605377 12.05426 
1 1 1   13   13   48 o   52.089   11.955   4.2845   4.5054   14.910   7.1808  -2.6139   5.7860   70.764   18.552   33.415   15.084 37.34841 23.91044 
1 1 1   13   13   49 o  125.129   7.6768   43.746   5.1301   39.777   7.6316   47.018   6.9293  119.631   11.805  130.628   9.8167 -10.99648 15.35370 
1 1 1   13   13   50 o   58.059   14.599   9.1503   5.6555   8.4324   9.3284   9.5676   7.1115   58.159   21.866   57.958   19.350 0.2016907 29.19806 
1 1 1   13   13   51 o  102.015   11.526   28.613   6.0463   39.775   9.9397   22.056   7.6178  117.893   15.603   86.137   16.970 31.75620 23.05258 
1 1 1   13   13   52 o  171.339   8.1438   83.671   7.3097   74.842   11.470   89.707   9.4851  162.752   13.043  179.926   9.7557 -17.17386 16.28753 
1 1 1   13   13   53 o  207.071   5.9531  118.435   6.6514  114.185   9.5487  122.441   9.2704  203.318   8.6912  210.824   8.1375 -7.506195 11.90614 
1 1 1   13   13   54 o   74.308   12.471   16.748   4.8982   17.888   7.4646   15.886   6.4911   76.256   18.340   72.360   16.906 3.895691 24.94298 
1 1 1   13   13   55 o   52.233   12.203   6.6582   4.9042  -3.2252   7.4861   14.089   6.4911   37.025   16.888   67.441   17.618 -30.41526 24.40503 
1 1 1   13   13   56 o   95.115   10.351   26.280   5.2481   27.070   8.1501   25.721   6.8596   95.779   15.747   94.451   13.440 1.328545 20.70283 
1 1 1   13   13   57 o   36.266   11.708  -3.5594   5.0338   0.5208   7.9192  -6.3256   6.5205   41.766   18.314   30.767   14.592 10.99921 23.41697 
1 1 1   13   13   58 o   95.154   17.474   28.067   8.6539   28.067   8.6539   0.0000   0.0000   95.154   17.474  ?   ?       ?      ? 
1 1 1   13   13   59 o   55.249   14.027   9.4460   5.5817   5.1219   8.2012   13.177   7.6183   47.917   19.703   62.581   19.970 -14.66371 28.05355 
1 1 1   13   13   60 o   53.339   14.029   8.9370   5.3720   10.612   8.1354   7.6423   7.1533   56.357   20.557   50.321   19.095 6.036068 28.05713 
1 1 1   13   13   61 o   69.724   13.616   16.809   5.4440   22.490   8.0548   12.031   7.3864   80.923   18.782   58.524   19.719 22.39979 27.23271 
1 1 1   13   14    0 o  870.704   15.326  2055.73   72.107  2039.86  101.567  2071.85  102.389  867.318   21.671  874.089   21.677 -6.771729 30.65223 
1 1 1   13   14    1 o  311.305   8.4886  261.731   14.253  240.090   19.773  285.135   20.563  297.923   12.283  324.687   11.720 -26.76407 16.97718 
1 1 1   13   14    2 o  328.707   7.5046  289.196   11.822  298.649   22.971  285.790   13.788  332.258   12.794  325.155   7.8475 7.102753 15.00922 
1 1 1   13   14    3 o  387.734   5.9694  406.278   12.505  397.817   17.503  415.099   17.872  383.612   8.4438  391.856   8.4403 -8.243958 11.93884 
1 1 1   13   14    4 o  797.822   9.9471  1720.97   42.858  1682.37   59.380  1762.94   61.921  788.504   13.936  807.141   14.197 -18.63660 19.89417 
1 1 1   13   14    5 o  620.406   8.0772  1040.65   27.073  1023.58   37.820  1058.60   38.772  615.191   11.377  625.621   11.469 -10.43024 16.15446 
1 1 1   13   14    7 o  327.842   12.454  290.766   22.062   0.0000   0.0000  290.766   22.062  ?   ?   327.842   12.454      ?      ? 
1 1 1   13   14    8 o  331.870   12.578  297.973   22.557   0.0000   0.0000  297.973   22.557  ?   ?   331.870   12.578      ?      ? 
1 1 1   13   14   10 o  512.591   8.0963  710.312   22.426   0.0000   0.0000  710.312   22.426  ?   ?   512.591   8.0963      ?      ? 
1 1 1   13   14   11 o  248.418   5.6358  166.780   7.5654   0.0000   0.0000  166.780   7.5654  ?   ?   248.418   5.6358      ?      ? 
1 1 1   13   14   12 o  325.650   7.5068  286.665   13.210   0.0000   0.0000  286.665   13.210  ?   ?   325.650   7.5068      ?      ? 
1 1 1   13   14   13 o  1155.61   13.971  3614.40   87.242   0.0000   0.0000  3614.40   87.242  ?   ?   1155.61   13.971      ?      ? 
1 1 1   13   14   14 o  599.054   11.294  970.713   36.559   0.0000   0.0000  970.713   36.559  ?   ?   599.054   11.294      ?      ? 
1 1 1   13   14   15 o  679.113   8.7291  1246.97   32.033   0.0000   0.0000  1246.97   32.033  ?   ?   679.113   8.7291      ?      ? 
1 1 1   13   14   16 o  875.442   10.810  2073.12   51.138   0.0000   0.0000  2073.12   51.138  ?   ?   875.442   10.810      ?      ? 
1 1 1   13   14   17 o  907.017   15.726  2228.74   77.077   0.0000   0.0000  2228.74   77.077  ?   ?   907.017   15.726      ?      ? 
1 1 1   13   14   18 o  671.785   8.6393  1220.40   31.362   0.0000   0.0000  1220.40   31.362  ?   ?   671.785   8.6393      ?      ? 
1 1 1   13   14   19 o  715.675   10.134  1417.64   32.226  1334.01   68.308  1441.58   36.549  701.281   18.026  730.069   9.2646 -28.78845 20.26704 
1 1 1   13   14   20 o  240.231   7.1631  154.490   8.3557  159.820   15.902  152.457   9.8206  243.001   12.110  237.462   7.6535 5.539444 14.32614 
1 1 1   13   14   21 o  1067.09   18.349  3089.06  105.804   0.0000   0.0000  3089.06  105.804  ?   ?   1067.09   18.349      ?      ? 
1 1 1   13   14   22 o  465.768   9.3775  586.816   23.602   0.0000   0.0000  586.816   23.602  ?   ?   465.768   9.3775      ?      ? 
1 1 1   13   14   23 o  487.569   6.8937  643.145   18.158  642.384   25.970  643.873   25.398  487.279   9.8628  487.858   9.6343 -0.5792847 13.78745 
1 1 1   13   14   24 o  111.680   10.130   32.383   5.9572   45.025   9.4925   24.169   7.6515  128.927   13.625   94.434   14.994 34.49272 20.26038 
1 1 1   13   14   26 o  201.393   8.5513  109.728   9.3060   0.0000   0.0000  109.728   9.3060  ?   ?   201.393   8.5513      ?      ? 
1 1 1   13   14   29 o  633.931   9.9781  1112.01   33.209  991.892   51.947  1195.03   43.186  604.000   15.916  663.861   12.039 -59.86072 19.95622 
1 1 1   13   14   30 o  299.884   7.8232  243.374   12.677   0.0000   0.0000  243.374   12.677  ?   ?   299.884   7.8232      ?      ? 
1 1 1   13   14   31 o  695.369   17.394  1317.79   65.360   0.0000   0.0000  1317.79   65.360  ?   ?   695.369   17.394      ?      ? 
1 1 1   13   14   32 o  156.780   7.0801   68.193   5.8426   57.889   8.9086   75.971   7.7396  146.074   11.286  167.486   8.5517 -21.41193 14.16018 
1 1 1   13   14   33 o  409.581   8.5048  454.501   18.823   0.0000   0.0000  454.501   18.823  ?   ?   409.581   8.5048      ?      ? 
1 1 1   13   14   34 o  172.463   6.5785   81.826   5.9495   75.476   9.4400   86.011   7.6629  166.747   10.477  178.180   7.9588 -11.43343 13.15697 
1 1 1   13   14   35 o  421.373   8.6653  481.438   19.730   0.0000   0.0000  481.438   19.730  ?   ?   421.373   8.6653      ?      ? 
1 1 1   13   14   36 o   96.667   11.165   30.181   4.9908   15.798   8.2679   38.426   6.2599   74.389   20.094  118.944   9.7394 -44.55556 22.33018 
1 1 1   13   14   37 o  170.292   6.4762   78.391   5.8501   80.731   9.2578   76.835   7.5482  172.316   9.9424  168.267   8.3015 4.049225 12.95245 
1 1 1   13   14   38 o  305.922   7.4351  255.832   11.520  258.031   14.066  251.351   20.078  308.318   8.4425  303.527   12.241 4.790710 14.87024 
1 1 1   13   14   39 o  335.910   8.7250  307.403   15.802  337.838   22.997  280.180   21.749  351.686   12.101  320.134   12.573 31.55157 17.45009 
1 1 1   13   14   40 o  341.875   8.6320  320.060   15.933  323.649   22.157  316.216   22.928  343.963   11.921  339.787   12.487 4.176392 17.26391 
1 1 1   13   14   41 o  225.898   8.9139  139.642   10.832  136.577   14.576  143.423   16.189  223.274   12.081  228.522   13.110 -5.248001 17.82777 
1 1 1   13   14   42 o  273.627   5.6611  204.639   8.3204  192.177   12.219  215.413   11.362  265.703   8.5102  281.550   7.4679 -15.84659 11.32228 
1 1 1   13   14   43 o  251.674   7.4283  172.267   10.102   0.0000   0.0000  172.267   10.102  ?   ?   251.674   7.4283      ?      ? 
1 1 1   13   14   44 o  328.794   7.8598  294.536   13.964   0.0000   0.0000  294.536   13.964  ?   ?   328.794   7.8598      ?      ? 
1 1 1   13   14   45 o  305.542   5.6926  254.088   9.3735  261.577   13.851  247.761   12.732  309.604   8.2794  301.480   7.8151 8.123810 11.38526 
1 1 1   13   14   46 o  351.611   5.8793  337.766   11.148  339.351   16.304  336.375   15.278  352.263   8.5654  350.959   8.0560 1.303864 11.75863 
1 1 1   13   14   47 o  157.627   8.4005   69.481   6.3978   67.500   12.032   70.262   7.5541  155.122   14.355  160.133   8.7300 -5.010635 16.80091 
1 1 1   13   14   48 o   57.372   14.766   6.3442   5.8219   14.784   10.253   2.3288   7.0726   70.546   23.220   44.198   18.249 26.34734 29.53278 
1 1 1   13   14   49 o  126.303   10.248   45.704   6.5673   43.243   11.232   46.982   8.0953  122.649   16.947  129.958   11.528 -7.308739 20.49621 
1 1 1   13   14   50 o  259.146   7.6022  188.426   10.483  172.950   15.862  200.428   13.969  248.888   11.794  269.405   9.5954 -20.51727 15.20435 
1 1 1   13   14   51 o   67.434   13.015   13.277   4.8020   17.073   7.7461   10.908   6.1198   74.569   19.130   60.300   17.653 14.26899 26.03064 
1 1 1   13   14   52 o   87.462   11.077   22.691   4.9987   21.197   7.7805   23.742   6.5229   83.488   17.790   91.435   13.202 -7.946358 22.15387 
1 1 1   13   14   53 o   81.996   12.055   20.303   5.1066   20.315   7.9179   20.295   6.6821   81.335   18.441   82.656   15.531 -1.321556 24.10940 
1 1 1   13   14   54 o  170.622   6.8288   81.471   6.2232   78.783   9.4516   83.528   8.2685  167.691   10.431  173.552   8.8167 -5.860260 13.65766 
1 1 1   13   14   55 o   59.907   13.411   9.6914   5.1342   17.574   8.0867   4.3680   6.6454   74.208   19.800   45.606   18.093 28.60205 26.82127 
1 1 1   13   14   56 o  138.447   7.9627   54.623   5.9157   55.672   8.9324   53.803   7.8954  139.212   11.874  137.682   10.612 1.529984 15.92536 
1 1 1   13   14   57 o   59.028   14.438   10.884   5.6827   8.5234   8.6181   12.700   7.5588   55.131   20.950   62.925   19.872 -7.793926 28.87532 
1 1 1   13   14   58 o   46.487   12.842   1.4989   5.7686 -11.2051   8.6357   11.736   7.7518   32.762   15.862   60.212   20.202 -27.44981 25.68481 
1 1 1   13   14   59 o   64.205   14.357   14.929   5.7647   11.106   8.5575   18.106   7.8002   56.627   21.011   71.782   19.571 -15.15471 28.71372 
1 1 1   13   14   60 o  136.552   8.2474   53.871   6.0356   64.291   9.1177   45.743   8.0524  148.407   11.370  124.698   11.950 23.70948 16.49476 
1 1 1   13   15    0 f  270.073   5.7885  196.952   8.4424  204.085   12.201  190.399   11.694  274.759   8.2179  265.387   8.1542 9.371674 11.57691 
1 1 1   13   15    1 o  558.847   15.233  845.495   46.000   0.0000   0.0000  845.495   46.000  ?   ?   558.847   15.233      ?      ? 
1 1 1   13   15    2 o  699.583   12.851  1325.81   48.566  1337.61   69.661  1314.64   67.744  702.594   18.348  696.573   17.998 6.021240 25.70165 
1 1 1   13   15    3 o  468.401   9.9849  593.789   25.261  594.369   36.285  593.243   35.190  468.611   14.329  468.190   13.909 0.4200134 19.96987 
1 1 1   13   15    4 o  353.540   9.1880  337.042   17.461  349.099   26.254  327.477   23.383  359.169   13.527  347.912   12.438 11.25757 18.37606 
1 1 1   13   15    5 o  323.398   9.1692  283.041   16.019  280.405   22.856  285.586   22.458  321.912   13.139  324.884   12.793 -2.972626 18.33834 
1 1 1   13   15    6 o  910.271   16.054  2246.68   78.895  2297.30  114.487  2200.90  108.874  919.966   23.030  900.576   22.373 19.39075 32.10786 
1 1 1   13   15    7 o  945.231   14.405  2388.63   67.888  2336.02   81.151  2511.26  123.910  928.775   16.169  961.686   23.844 -32.91052 28.80978 
1 1 1   13   15    8 o  670.778   10.827  1194.11   35.799  1276.80   66.943  1160.99   42.365  686.450   18.047  655.106   11.968 31.34430 21.65476 
1 1 1   13   15    9 o  530.736   10.018  761.732   28.731   0.0000   0.0000  761.732   28.731  ?   ?   530.736   10.018      ?      ? 
1 1 1   13   15   10 o  460.046   9.7038  572.304   24.123   0.0000   0.0000  572.304   24.123  ?   ?   460.046   9.7038      ?      ? 
1 1 1   13   15   11 o  597.057   11.357  964.284   36.640   0.0000   0.0000  964.284   36.640  ?   ?   597.057   11.357      ?      ? 
1 1 1   13   15   12 o  178.551   6.8815   86.174   6.6394   0.0000   0.0000   86.174   6.6394  ?   ?   178.551   6.8815      ?      ? 
1 1 1   13   15   13 o  358.747   6.0825  347.854   11.791   0.0000   0.0000  347.854   11.791  ?   ?   358.747   6.0825      ?      ? 
1 1 1   13   15   14 o  539.104   10.663  786.209   31.064   0.0000   0.0000  786.209   31.064  ?   ?   539.104   10.663      ?      ? 
1 1 1   13   15   15 o  916.776   11.297  2274.20   55.963   0.0000   0.0000  2274.20   55.963  ?   ?   916.776   11.297      ?      ? 
1 1 1   13   15   16 o  321.940   5.8936  280.150   10.253   0.0000   0.0000  280.150   10.253  ?   ?   321.940   5.8936      ?      ? 
1 1 1   13   15   17 f  123.692   8.7653   41.375   5.8586   0.0000   0.0000   41.375   5.8586  ?   ?   123.692   8.7653      ?      ? 
1 1 1   13   15   18 o  312.165   7.3114  263.453   12.333   0.0000   0.0000  263.453   12.333  ?   ?   312.165   7.3114      ?      ? 
1 1 1   13   15   19 o  500.021   7.0920  675.936   19.162   0.0000   0.0000  675.936   19.162  ?   ?   500.021   7.0920      ?      ? 
1 1 1   13   15   20 o  520.330   8.2957  727.289   19.843  743.468   40.952  722.324   22.683  523.833   14.467  516.827   8.1222 7.006470 16.59148 
1 1 1   13   15   21 o  329.616   12.166  294.144   21.670  294.144   21.670   0.0000   0.0000  329.616   12.166  ?   ?       ?      ? 
1 1 1   13   15   23 o  481.955   9.7010  628.499   25.264   0.0000   0.0000  628.499   25.264  ?   ?   481.955   9.7010      ?      ? 
1 1 1   13   15   24 f  326.164   6.1217  287.947   10.757  286.027   15.811  289.602   14.677  325.133   8.9995  327.194   8.3012 -2.061035 12.24342 
1 1 1   13   15   25 o  130.440   9.1804   46.357   6.3718   44.622   9.8122   47.623   8.3789  128.281   14.155  132.600   11.694 -4.319168 18.36074 
1 1 1   13   15   26 o  297.864   5.9935  239.962   9.6202  241.251   14.159  238.857   13.111  298.592   8.7755  297.137   8.1658 1.455109 11.98707 
1 1 1   13   15   27 o  224.026   6.2996  134.951   7.5930  145.417   11.405  126.618   10.176  231.767   9.1064  216.286   8.7070 15.48141 12.59916 
1 1 1   13   15   29 o  213.235   6.4650  124.047   7.3751  115.530   11.010  130.980   9.9332  206.505   9.8663  219.965   8.3569 -13.45963 12.92991 
1 1 1   13   15   30 o  197.900   8.9196  117.835   8.1862   82.545   14.919  133.037   9.7919  174.125   15.856  221.675   8.1745 -47.54976 17.83922 
1 1 1   13   15   31 o  184.981   7.5203   91.935   7.4616   77.663   10.068  109.324   11.114  169.180   11.013  200.782   10.243 -31.60255 15.04070 
1 1 1   13   15   32 o  190.456   7.1734   98.527   7.3662  106.466   10.447   90.676   10.388  198.125   9.7579  182.786   10.517 15.33891 14.34686 
1 1 1   13   15   33 o  350.366   5.8873  332.997   11.136  321.976   15.910  343.582   15.592  344.648   8.5428  356.083   8.1033 -11.43414 11.77467 
1 1 1   13   15   34 f  131.648   8.5900   49.625   5.7875   36.992   8.9938   58.554   7.5610  116.416   14.297  146.881   9.5263 -30.46417 17.17994 
1 1 1   13   15   35 o  205.958   8.2898  114.474   8.6680  112.477   10.540  118.649   15.237  203.483   9.5855  208.434   13.528 -4.951263 16.57969 
1 1 1   13   15   36 o  499.232   10.107  681.330   27.235  665.090   37.455  699.549   39.673  493.033   14.059  505.430   14.526 -12.39737 20.21497 
1 1 1   13   15   37 o   76.995   17.114   16.122   7.9066   13.250   10.416   20.027   12.146   70.311   23.415   83.679   24.967 -13.36775 34.22886 
1 1 1   13   15   38 o  176.178   10.204   84.789   9.6357   81.959   12.750   88.559   14.715  172.917   13.645  179.439   15.176 -6.522324 20.40787 
1 1 1   13   15   39 o  422.638   7.8134  486.535   16.549  491.667   29.616  484.205   19.956  423.396   12.945  421.880   8.7537 1.515686 15.62673 
1 1 1   13   15   40 o  314.802   5.7591  270.092   9.7679  259.709   14.199  279.420   13.459  308.954   8.5049  320.649   7.7675 -11.69559 11.51815 
1 1 1   13   15   41 o  159.586   6.7629   69.246   5.6798   70.474   9.1692   68.480   7.2351  160.563   10.568  158.609   8.4416 1.953598 13.52581 
1 1 1   13   15   42 f  113.074   8.5948   35.186   5.0956   35.117   8.2611   35.228   6.4738  112.738   13.561  113.410   10.564 -0.6718292 17.18966 
1 1 1   13   15   43 o  248.415   7.5596  168.035   10.148   0.0000   0.0000  168.035   10.148  ?   ?   248.415   7.5596      ?      ? 
1 1 1   13   15   44 o  184.653   6.3615   94.714   6.2023   85.070   9.5619  101.720   8.1492  176.139   10.046  193.167   7.8071 -17.02876 12.72308 
1 1 1   13   15   45 o  188.877   8.1772   89.863   7.6969  121.914   14.706   77.770   9.0329  209.480   12.992  168.274   9.9340 41.20602 16.35447 
1 1 1   13   15   46 o   64.820   15.102   12.204   5.8526   9.5676   11.269   13.178   6.8488   62.967   23.949   66.673   18.406 -3.705383 30.20462 
1 1 1   13   15   47 o   86.162   14.561   21.619   6.1632   24.707   11.721   20.439   7.2459   88.963   23.881   83.361   16.668 5.602455 29.12270 
1 1 1   13   15   48 o   90.261   11.438   23.589   5.4421   23.865   8.0507   23.356   7.3850   89.811   17.215   90.711   15.066 -0.8999329 22.87699 
1 1 1   13   15   49 o  104.289   9.3855   30.376   5.1722   31.819   8.2964   29.458   6.6150  105.891   14.499  102.686   11.922 3.204552 18.77095 
1 1 1   13   15   50 o  162.658   6.9179   73.070   5.9756   74.540   9.3940   72.070   7.7443  163.669   10.622  161.648   8.8659 2.021118 13.83573 
1 1 1   13   15   51 o   78.590   12.448   19.054   5.0916   17.170   8.0061   20.334   6.5978   74.283   19.644   82.896   15.293 -8.612411 24.89503 
1 1 1   13   15   52 o  157.459   7.1355   68.799   6.0315   70.861   9.1171   67.194   8.0431  159.316   10.590  155.602   9.5658 3.713654 14.27091 
1 1 1   13   15   53 o  177.409   6.7344   86.918   6.4008   92.894   9.8301   82.519   8.4337  182.408   9.9730  172.410   9.0524 9.997665 13.46875 
1 1 1   13   15   54 o  116.337   9.1441   38.301   5.7104   42.708   8.7099   34.979   7.5626  121.995   13.212  110.679   12.645 11.31625 18.28829 
1 1 1   13   15   55 o  111.810   9.7237   36.799   5.8163   34.799   8.6867   38.425   7.8306  108.329   14.840  115.290   12.569 -6.961014 19.44748 
1 1 1   13   15   56 o  113.012   10.079   37.658   6.1001   32.915   8.7367   42.170   8.5211  105.317   15.352  120.707   13.064 -15.39045 20.15812 
1 1 1   13   15   57 o  119.390   9.9639   41.776   6.4041   42.994   9.5225   40.771   8.6532  120.616   14.610  118.165   13.552 2.451187 19.92777 
1 1 1   13   15   58 o   64.056   14.121   14.961   5.7131   9.8985   8.6334   18.904   7.6203   54.354   20.893   73.758   19.002 -19.40356 28.24173 
1 1 1   13   15   59 o   79.687   12.897   21.697   5.7111   13.853   8.3942   28.458   7.7926   62.885   21.022   96.489   14.946 -33.60377 25.79379 
1 1 1   13   15   60 o   55.171   13.774   10.520   5.5586   4.6035   8.2923   15.348   7.4907   45.347   19.302   64.994   19.656 -19.64632 27.54845 
1 1 1   13   16    0 o  190.105   9.0613   97.715   9.3083   0.0000   0.0000   97.715   9.3083  ?   ?   190.105   9.0613      ?      ? 
1 1 1   13   16    1 o  523.065   10.278  739.906   29.051  739.906   29.051   0.0000   0.0000  523.065   10.278  ?   ?       ?      ? 
1 1 1   13   16    2 o  790.895   14.068  1693.01   60.122   0.0000   0.0000  1693.01   60.122  ?   ?   790.895   14.068      ?      ? 
1 1 1   13   16    5 o  1109.81   16.764  3291.47   92.623  3210.68  110.532  3481.98  169.732  1088.36   18.794  1131.26   27.766 -42.90723 33.52865 
1 1 1   13   16    6 o  492.517   10.499  656.828   27.937  649.099   39.693  664.414   39.326  489.635   15.002  495.400   14.691 -5.763977 20.99701 
1 1 1   13   16    7 o  919.289   16.257  2291.51   80.657  2358.11  117.640  2232.43  110.801  931.800   23.364  906.778   22.613 25.02118 32.51471 
1 1 1   13   16    9 o  571.362   11.058  883.135   34.142   0.0000   0.0000  883.135   34.142  ?   ?   571.362   11.058      ?      ? 
1 1 1   13   16   11 f  890.955   12.758  2148.70   61.423   0.0000   0.0000  2148.70   61.423  ?   ?   890.955   12.758      ?      ? 
1 1 1   13   16   12 o  246.483   10.245  164.353   13.646   0.0000   0.0000  164.353   13.646  ?   ?   246.483   10.245      ?      ? 
1 1 1   13   16   13 o  1138.26   13.855  3508.79   85.221   0.0000   0.0000  3508.79   85.221  ?   ?   1138.26   13.855      ?      ? 
1 1 1   13   16   14 o  161.012   10.541   70.138   9.1711   0.0000   0.0000   70.138   9.1711  ?   ?   161.012   10.541      ?      ? 
1 1 1   13   16   15 o  668.121   9.9574  1207.48   35.949   0.0000   0.0000  1207.48   35.949  ?   ?   668.121   9.9574      ?      ? 
1 1 1   13   16   16 o  292.384   9.6308  231.237   15.216   0.0000   0.0000  231.237   15.216  ?   ?   292.384   9.6308      ?      ? 
1 1 1   13   16   17 o  168.436   12.876   76.820   11.719   0.0000   0.0000   76.820   11.719  ?   ?   168.436   12.876      ?      ? 
1 1 1   13   16   18 o  567.735   7.7639  871.583   23.818   0.0000   0.0000  871.583   23.818  ?   ?   567.735   7.7639      ?      ? 
1 1 1   13   16   19 o  791.899   10.011  1696.65   42.837   0.0000   0.0000  1696.65   42.837  ?   ?   791.899   10.011      ?      ? 
1 1 1   13   16   20 o  339.061   7.3805  293.246   12.084  351.126   23.957  273.495   13.994  360.111   12.311  318.011   8.1438 42.10001 14.76103 
1 1 1   13   16   21 o  591.828   9.2635  910.773   24.270  1016.44   53.922  883.929   27.178  612.036   16.304  571.620   8.7988 40.41681 18.52707 
1 1 1   13   16   22 o  234.335   12.848  148.806   16.268  148.806   16.268   0.0000   0.0000  234.335   12.848  ?   ?       ?      ? 
1 1 1   13   16   23 o  335.051   6.1869  303.890   11.189  286.804   15.789  321.129   15.859  325.572   8.9746  344.529   8.5187 -18.95679 12.37380 
1 1 1   13   16   24 o  592.731   11.129  951.543   35.645   0.0000   0.0000  951.543   35.645  ?   ?   592.731   11.129      ?      ? 
1 1 1   13   16   25 o  306.972   6.1029  254.808   10.099  258.366   14.847  251.745   13.778  308.948   8.8934  304.996   8.3601 3.951477 12.20585 
1 1 1   13   16   26 o  165.344   7.8108   73.537   6.9410   79.382   10.500   69.001   9.2503  171.120   11.355  159.568   10.728 11.55219 15.62169 
1 1 1   13   16   28 o   52.087   13.861   2.2900   5.9074   11.487   8.8644  -5.0578   7.9234   65.996   21.583   38.178   17.398 27.81833 27.72249 
1 1 1   13   16   29 o  227.034   6.4295  140.285   7.8444  124.438   11.164  155.737   11.024  214.275   9.6420  239.794   8.5080 -25.51979 12.85903 
1 1 1   13   16   30 f  172.660   11.753   81.176   10.938   89.752   15.898   73.468   15.072  181.338   16.224  163.983   17.009 17.35481 23.50642 
1 1 1   13   16   31 o  279.862   9.2373  210.647   13.886  242.117   20.967  186.059   18.533  298.271   13.009  261.454   13.118 36.81613 18.47464 
1 1 1   13   16   32 o  191.524   13.449   99.955   13.919   99.955   13.919   0.0000   0.0000  191.524   13.449  ?   ?       ?      ? 
1 1 1   13   16   33 o  217.247   12.420  128.581   14.580  128.581   14.580   0.0000   0.0000  217.247   12.420  ?   ?       ?      ? 
1 1 1   13   16   34 o  130.515   13.548   49.647   8.8782   62.365   12.131   34.977   13.029  150.884   14.878  110.145   22.646 40.73872 27.09666 
1 1 1   13   16   35 o  309.390   8.6319  260.579   14.393  254.279   19.560  268.018   21.256  305.404   11.852  313.375   12.552 -7.971466 17.26377 
1 1 1   13   16   36 o  283.364   8.6269  218.934   13.188  214.189   18.065  224.347   19.297  280.146   11.934  286.583   12.461 -6.436249 17.25371 
1 1 1   13   16   37 o  228.590   7.0665  137.952   7.8182  152.297   15.170  132.763   9.1232  236.042   11.893  221.138   7.6348 14.90341 14.13294 
1 1 1   13   16   38 o  201.222   7.8290  110.022   8.5127   0.0000   0.0000  110.022   8.5127  ?   ?   201.222   7.8290      ?      ? 
1 1 1   13   16   39 o  148.048   7.5707   61.809   5.7532   53.074   9.3711   67.092   7.2884  139.087   12.469  157.008   8.5906 -17.92094 15.14139 
1 1 1   13   16   40 f  245.990   7.4933  164.491   9.9605   0.0000   0.0000  164.491   9.9605  ?   ?   245.990   7.4933      ?      ? 
1 1 1   13   16   41 o  121.947   8.5585   40.369   5.3544   42.722   9.2509   39.183   6.5660  124.251   13.778  119.642   10.156 4.609276 17.11697 
1 1 1   13   16   42 f  320.523   8.4230  288.188   14.295  247.748   21.451  320.496   19.174  299.179   13.269  341.867   10.379 -42.68866 16.84604 
1 1 1   13   16   43 o   42.611   13.998  -5.4943   6.1845  -4.7320   13.581  -5.6937   6.9466   51.360   23.154   33.863   15.739 17.49667 27.99648 
1 1 1   13   16   44 o  159.333   9.3779   69.142   7.2592   74.212   13.869   67.230   8.5193  162.282   15.816  156.384   10.082 5.897659 18.75573 
1 1 1   13   16   45 f   62.248   12.586   8.3437   5.2242   21.559   8.2726  -0.4227   6.7377   85.194   18.500   39.302   17.069 45.89214 25.17139 
1 1 1   13   16   46 o  250.310   7.8166  171.433   10.573   0.0000   0.0000  171.433   10.573  ?   ?   250.310   7.8166      ?      ? 
1 1 1   13   16   47 o  281.766   7.7768  217.398   11.841   0.0000   0.0000  217.398   11.841  ?   ?   281.766   7.7768      ?      ? 
1 1 1   13   16   48 o  110.430   9.2230   33.578   5.3807   37.724   8.7514   31.058   6.8226  115.454   14.028  105.406   11.978 10.04806 18.44603 
1 1 1   13   16   49 o  250.969   7.7416  172.891   10.499   0.0000   0.0000  172.891   10.499  ?   ?   250.969   7.7416      ?      ? 
1 1 1   13   16   50 o   55.721   13.699   8.8211   4.9763   8.5711   8.0282   8.9771   6.3416   56.032   20.424   55.411   18.262 0.6206093 27.39748 
1 1 1   13   16   51 o  174.062   6.9254   85.287   6.4056   76.480   9.6525   92.217   8.5629  165.406   10.799  182.717   8.6727 -17.31093 13.85072 
1 1 1   13   16   52 f   49.765   13.632   5.8853   5.1930   4.8745   8.2089   6.5597   6.7052   49.422   19.938   50.108   18.597 -0.6856384 27.26456 
1 1 1   13   16   53 o  172.727   7.0123   81.602   6.4628   95.429   10.172   72.241   8.3694  184.561   10.199  160.893   9.6265 23.66870 14.02460 
1 1 1   13   16   54 o  118.586   9.1860   40.917   5.8044   40.096   8.9058   41.523   7.6531  116.813   14.109  120.358   11.767 -3.544716 18.37192 
1 1 1   13   16   55 o  260.470   6.2364  189.240   8.7442  189.845   12.944  188.732   11.859  260.495   9.1958  260.446   8.4266 0.4861450E-01 12.47277 
1 1 1   13   16   56 o   29.812   10.347 -13.8432   5.6711 -12.4259   8.3764 -15.0426   7.7059   31.474   15.326   28.150   13.905 3.324163 20.69391 
1 1 1   13   16   57 o   60.235   12.485   10.200   5.7852  -4.0738   8.2422   24.060   8.1221   36.194   16.929   84.275   18.355 -48.08044 24.96972 
1 1 1   13   16   58 o   59.236   14.402   11.901   5.7131   8.8121   8.3790   14.585   7.8099   53.527   20.581   64.946   20.152 -11.41934 28.80387 
1 1 1   13   16   59 o   63.009   14.540   14.771   5.7064   13.884   8.3471   15.550   7.8189   60.979   20.958   65.039   20.160 -4.059765 29.08028 
1 1 1   13   17    0 o  652.451   8.5473  1151.69   30.132  1137.12   42.264  1166.76   42.970  648.255   12.065  656.647   12.110 -8.392029 17.09457 
1 1 1   13   17    1 o  189.507   7.1603   97.109   7.3291  101.207   10.452   93.145   10.280  193.441   9.9996  185.572   10.251 7.868698 14.32057 
1 1 1   13   17    3 o  769.345   9.7754  1601.30   40.619  1565.44   56.379  1640.00   58.573  760.408   13.721  778.281   13.928 -17.87329 19.55090 
1 1 1   13   17    4 o  981.429   12.132  2600.30   64.145  2482.17   86.734  2742.91   95.299  956.997   16.772  1005.86   17.533 -48.86523 24.26350 
1 1 1   13   17    5 o  1036.53   15.648  2935.47   83.382  2973.60  103.478  2864.86  140.801  1047.10   18.288  1025.97   25.397 21.12988 31.29661 
1 1 1   13   17    6 o  769.616   12.186  1615.92   47.732  1575.68   82.272  1636.34   58.603  761.887   19.983  777.344   13.951 -15.45746 24.37174 
1 1 1   13   17    7 o  732.772   19.571  1457.43   77.495  1457.43   77.495   0.0000   0.0000  732.772   19.571  ?   ?       ?      ? 
1 1 1   13   17    8 o  245.097   7.0257  164.599   8.9385  154.685   14.627  170.508   11.292  239.087   11.322  251.108   8.3219 -12.02048 14.05144 
1 1 1   13   17    9 o  1490.26   20.721  6031.78  166.864   0.0000   0.0000  6031.78  166.864  ?   ?   1490.26   20.721      ?      ? 
1 1 1   13   17   10 o  735.268   11.015  1462.78   43.764   0.0000   0.0000  1462.78   43.764  ?   ?   735.268   11.015      ?      ? 
1 1 1   13   17   13 o   90.996   22.783   23.399   11.177   0.0000   0.0000   23.399   11.177  ?   ?    90.996   22.783      ?      ? 
1 1 1   13   17   15 f  220.775   11.461  131.929   13.673   0.0000   0.0000  131.929   13.673  ?   ?   220.775   11.461      ?      ? 
1 1 1   13   17   16 o  525.654   10.935  747.769   31.062   0.0000   0.0000  747.769   31.062  ?   ?   525.654   10.935      ?      ? 
1 1 1   13   17   18 o  165.719   13.838   74.420   12.392   0.0000   0.0000   74.420   12.392  ?   ?   165.719   13.838      ?      ? 
1 1 1   13   17   19 o  158.561   14.157   68.166   12.129   0.0000   0.0000   68.166   12.129  ?   ?   158.561   14.157      ?      ? 
1 1 1   13   17   20 o  259.136   10.344  181.785   14.484   0.0000   0.0000  181.785   14.484  ?   ?   259.136   10.344      ?      ? 
1 1 1   13   17   21 o  313.726   8.6987  265.185   14.701  247.973   19.863  286.036   21.862  302.542   12.150  324.910   12.452 -22.36884 17.39733 
1 1 1   13   17   22 o  511.774   10.242  709.809   28.293  692.568   38.957  729.054   41.159  505.238   14.269  518.311   14.696 -13.07248 20.48348 
1 1 1   13   17   23 f  456.415   9.6758  564.258   23.821  547.523   32.549  583.558   34.955  449.184   13.410  463.647   13.952 -14.46307 19.35163 
1 1 1   13   17   24 o  225.066   9.3977  135.846   11.342  124.820   14.952  150.788   17.406  214.469   12.901  235.663   13.668 -21.19368 18.79536 
1 1 1   13   17   25 o  727.090   13.277  1438.14   52.059  1504.95   76.626  1380.86   70.946  742.610   19.095  711.569   18.451 31.04163 26.55338 
1 1 1   13   17   26 o  208.094   9.6686  117.728   10.811  118.446   14.561  116.847   16.137  208.864   12.901  207.324   14.404 1.540085 19.33720 
1 1 1   13   17   27 o  292.189   8.8817  230.665   13.950  220.788   18.638  243.243   21.034  285.171   12.095  299.208   13.009 -14.03677 17.76345 
1 1 1   13   17   28 o  194.497   10.071  102.415   10.537   97.162   14.124  109.009   15.824  188.947   13.834  200.048   14.639 -11.10092 20.14110 
1 1 1   13   17   29 o  267.043   9.0943  195.058   13.042  216.554   18.267  172.703   18.628  282.256   11.976  251.831   13.689 30.42488 18.18869 
1 1 1   13   17   30 o  440.079   9.5800  527.547   22.766  523.874   31.560  531.531   32.871  438.545   13.318  441.613   13.775 -3.068512 19.16004 
1 1 1   13   17   31 o  106.747   23.934   32.883   13.465   0.0000   0.0000   32.883   13.465  ?   ?   106.747   23.934      ?      ? 
1 1 1   13   17   32 f   45.593   14.174  -2.2643   6.2016   0.5248   11.320  -3.4604   7.4131   53.000   22.556   38.186   17.171 14.81380 28.34758 
1 1 1   13   17   33 o  184.561   9.8215   99.222   8.9321   54.167   12.771  142.365   12.497  140.322   16.843  228.800   10.108 -88.47781 19.64305 
1 1 1   13   17   34 o   53.198   14.105   5.7223   5.3885   7.6260   8.5945   4.4893   6.9169   57.714   21.117   48.682   18.704 9.032833 28.20931 
1 1 1   13   17   35 o  197.871   6.5685  106.443   6.8916  106.709   10.850  106.262   8.9229  197.953   10.143  197.788   8.3486 0.1646729 13.13696 
1 1 1   13   17   36 o  106.708   10.532   33.521   5.5151   25.700   8.8634   38.463   7.0450   94.734   17.972  118.683   10.985 -23.94889 21.06328 
1 1 1   13   17   37 o  136.566   7.9664   51.825   5.6951   47.374   9.0434   54.750   7.3315  131.400   12.736  141.731   9.5728 -10.33113 15.93287 
1 1 1   13   17   38 o  150.140   7.6960   62.919   5.9972   56.645   9.6765   66.831   7.6420  143.656   12.465  156.623   9.0294 -12.96654 15.39207 
1 1 1   13   17   39 o  409.810   8.9306  462.002   19.699  409.685   27.449  517.568   28.288  385.564   13.175  434.056   12.061 -48.49194 17.86124 
1 1 1   13   17   40 o  231.052   8.8570  156.467   10.296  115.135   16.481  182.928   13.187  203.423   14.993  258.681   9.4336 -55.25845 17.71399 
1 1 1   13   17   41 o  230.689   8.4387  147.784   9.8219  143.514   17.161  149.865   11.978  227.346   13.969  234.032   9.4713 -6.685806 16.87731 
1 1 1   13   17   42 o   93.490   11.666   24.690   5.6852   26.600   8.9105   23.378   7.3834   95.525   17.920   91.454   14.940 4.070534 23.33154 
1 1 1   13   17   43 o  224.187   6.1637  136.905   7.3320  141.427   11.596  133.893   9.4638  226.991   9.4540  221.383   7.9111 5.608551 12.32735 
1 1 1   13   17   44 o  170.807   6.8761   80.808   6.1858   77.543   9.8047   82.966   7.9729  167.560   10.829  174.054   8.4770 -6.494415 13.75215 
1 1 1   13   17   45 o  241.185   7.7664  159.190   10.122   0.0000   0.0000  159.190   10.122  ?   ?   241.185   7.7664      ?      ? 
1 1 1   13   17   46 o  214.717   7.8833  126.300   9.1466   0.0000   0.0000  126.300   9.1466  ?   ?   214.717   7.8833      ?      ? 
1 1 1   13   17   47 o  149.302   7.6574   64.002   5.9349   52.516   9.2351   72.083   7.7463  136.820   12.491  161.785   8.8607 -24.96535 15.31477 
1 1 1   13   17   48 o  235.246   7.8608  152.009   9.9926   0.0000   0.0000  152.009   9.9926  ?   ?   235.246   7.8608      ?      ? 
1 1 1   13   17   49 o   93.249   11.241   25.740   5.3606   24.723   8.5524   26.398   6.8798   90.100   18.193   96.399   13.207 -6.298721 22.48138 
1 1 1   13   17   50 o  194.369   8.5764  104.307   9.0078   0.0000   0.0000  104.307   9.0078  ?   ?   194.369   8.5764      ?      ? 
1 1 1   13   17   51 o   79.361   12.835   20.863   5.5493   12.311   8.9504   26.203   7.0728   63.230   21.704   95.492   13.707 -32.26284 25.66936 
1 1 1   13   17   52 o  306.085   8.4179  259.523   13.923   0.0000   0.0000  259.523   13.923  ?   ?   306.085   8.4179      ?      ? 
1 1 1   13   17   53 o   38.020   12.301  -3.0034   5.5934  -2.2934   8.6413  -3.5154   7.3382   40.229   18.270   35.812   16.478 4.417004 24.60275 
1 1 1   13   17   54 o  107.391   10.840   34.267   6.2686   33.655   9.1884   34.800   8.5738  106.041   16.035  108.742   14.591 -2.701225 21.68036 
1 1 1   13   17   55 o   72.231   14.425   17.114   6.0315   21.915   8.6398   12.549   8.4238   82.111   19.720   62.351   21.058 19.75989 28.85026 
1 1 1   13   17   56 o   58.947   14.802   12.396   5.9818   10.379   8.6655   14.233   8.2677   55.261   21.005   62.632   20.862 -7.370613 29.60455 
1 1 1   13   17   57 o   59.214   14.552   11.878   5.7554   9.8899   8.2443   13.767   8.0384   55.388   20.608   63.041   20.550 -7.652649 29.10335 
1 1 1   13   17   58 o   63.700   14.493   15.074   5.6864   14.024   8.4048   15.960   7.7222   61.261   21.031   66.138   19.947 -4.877285 28.98629 
1 1 1   13   18    0 o  438.786   6.8465  520.813   16.230  507.081   22.904  534.662   23.001  432.971   9.7895  444.601   9.5740 -11.63013 13.69293 
1 1 1   13   18    2 o  522.666   7.5079  739.113   21.204  731.158   30.006  747.047   29.966  519.853   10.682  525.480   10.553 -5.626892 15.01582 
1 1 1   13   18    4 o  739.051   11.772  1490.57   44.657  1513.29   55.351  1448.20   75.581  747.565   13.702  730.537   19.146 17.02777 23.54421 
1 1 1   13   18    5 o  115.673   11.420   36.220   7.1129   36.764   10.549   35.765   9.6320  116.456   16.763  114.890   15.515 1.565910 22.84098 
1 1 1   13   18    6 o  493.149   16.559  659.234   44.125  659.234   44.125   0.0000   0.0000  493.149   16.559  ?   ?       ?      ? 
1 1 1   13   18    7 o  234.461   6.8716  153.633   8.0930  134.707   13.886  163.370   9.9596  223.108   11.518  245.815   7.4980 -22.70677 13.74321 
1 1 1   13   18    8 o  367.879   7.2741  356.616   13.556  393.243   24.276  340.018   16.342  381.172   11.786  354.587   8.5289 26.58490 14.54829 
1 1 1   13   18    9 o  229.236   7.2362  142.077   8.9636   0.0000   0.0000  142.077   8.9636  ?   ?   229.236   7.2362      ?      ? 
1 1 1   13   18   10 o  291.063   9.7260  229.188   15.297   0.0000   0.0000  229.188   15.297  ?   ?   291.063   9.7260      ?      ? 
1 1 1   13   18   11 o  1034.82   12.732  2899.72   71.197   0.0000   0.0000  2899.72   71.197  ?   ?   1034.82   12.732      ?      ? 
1 1 1   13   18   12 o  107.139   19.530   32.138   10.890   0.0000   0.0000   32.138   10.890  ?   ?   107.139   19.530      ?      ? 
1 1 1   13   18   13 o  456.866   8.4999  564.506   20.984   0.0000   0.0000  564.506   20.984  ?   ?   456.866   8.4999      ?      ? 
1 1 1   13   18   14 o  584.304   8.0390  923.301   25.382   0.0000   0.0000  923.301   25.382  ?   ?   584.304   8.0390      ?      ? 
1 1 1   13   18   15 o   51.071   19.041   5.3549   7.0454   0.0000   0.0000   5.3549   7.0454  ?   ?    51.071   19.041      ?      ? 
1 1 1   13   18   16 o  518.613   8.4161  727.593   23.585   0.0000   0.0000  727.593   23.585  ?   ?   518.613   8.4161      ?      ? 
1 1 1   13   18   17 o  240.255   6.7072  156.084   8.7077   0.0000   0.0000  156.084   8.7077  ?   ?   240.255   6.7072      ?      ? 
1 1 1   13   18   18 o  259.630   10.633  182.500   14.918   0.0000   0.0000  182.500   14.918  ?   ?   259.630   10.633      ?      ? 
1 1 1   13   18   19 o  104.687   12.061   29.696   6.8229   0.0000   0.0000   29.696   6.8229  ?   ?   104.687   12.061      ?      ? 
1 1 1   13   18   20 o  290.436   10.287  228.463   16.145   0.0000   0.0000  228.463   16.145  ?   ?   290.436   10.287      ?      ? 
1 1 1   13   18   21 o  308.399   7.2348  259.019   11.260  253.829   19.757  261.516   13.704  305.948   11.950  310.849   8.1585 -4.901245 14.46966 
1 1 1   13   18   22 o  780.895   12.129  1656.94   47.987  1670.95   84.126  1650.18   58.424  782.280   19.901  779.510   13.870 2.770020 24.25777 
1 1 1   13   18   23 o  413.470   8.0506  455.767   16.747  484.910   30.147  442.760   20.140  422.609   13.201  404.331   9.2180 18.27856 16.10111 
1 1 1   13   18   25 o  271.857   8.8790  200.221   13.043   0.0000   0.0000  200.221   13.043  ?   ?   271.857   8.8790      ?      ? 
1 1 1   13   18   26 o  174.026   10.376   82.165   9.7572   0.0000   0.0000   82.165   9.7572  ?   ?   174.026   10.376      ?      ? 
1 1 1   13   18   27 o  520.367   10.231  734.852   28.767   0.0000   0.0000  734.852   28.767  ?   ?   520.367   10.231      ?      ? 
1 1 1   13   18   28 o  420.860   6.6155  480.489   15.043  470.037   21.220  491.047   21.328  416.245   9.4341  425.475   9.2767 -9.230103 13.23101 
1 1 1   13   18   29 o  329.039   6.2272  293.643   11.067  281.513   15.549  306.095   15.754  322.135   8.9329  335.943   8.6785 -13.80872 12.45439 
1 1 1   13   18   30 o  217.715   6.7281  129.171   7.8892  120.848   11.368  136.903   10.957  210.870   9.9766  224.560   9.0298 -13.68996 13.45621 
1 1 1   13   18   31 o   63.777   14.080   10.621   5.9728   2.4281   8.9036   17.325   8.0540   49.897   20.525   77.656   19.282 -27.75918 28.16098 
1 1 1   13   18   32 o  235.160   8.8905  163.423   9.6949  125.676   18.198  178.382   11.456  213.945   15.741  256.375   8.2692 -42.43040 17.78107 
1 1 1   13   18   33 f  198.964   11.236  107.950   12.080   0.0000   0.0000  107.950   12.080  ?   ?   198.964   11.236      ?      ? 
1 1 1   13   18   34 o  155.398   8.8058   66.069   7.3920   63.779   10.334   68.468   10.578  152.630   12.530  158.167   12.376 -5.536758 17.61169 
1 1 1   13   18   35 o  175.277   10.118   89.525   7.9547   75.518   16.079   94.064   9.1533  164.688   18.068  185.866   9.1136 -21.17822 20.23644 
1 1 1   13   18   36 o  249.949   9.2523  180.216   11.802  138.919   18.687  207.613   15.221  224.119   15.431  275.779   10.214 -51.65950 18.50466 
1 1 1   13   18   37 o  193.194   10.208  109.694   9.3591   88.446   17.158  118.694   11.167  177.895   17.849  208.494   9.9115 -30.59866 20.41644 
1 1 1   13   18   38 o  207.136   9.5241  125.103   9.7994   99.775   16.574  138.716   12.151  189.083   16.221  225.188   9.9855 -36.10420 19.04830 
1 1 1   13   18   39 o   71.710   14.495   15.285   5.9736   12.058   9.0696   17.757   7.9387   65.737   21.848   77.683   19.056 -11.94606 28.99070 
1 1 1   13   18   40 o  266.383   5.9930  193.995   8.5624  191.525   12.873  195.954   11.466  264.683   9.0007  268.082   7.9154 -3.399139 11.98608 
1 1 1   13   18   41 o  272.522   7.8346  202.671   11.537   0.0000   0.0000  202.671   11.537  ?   ?   272.522   7.8346      ?      ? 
1 1 1   13   18   42 o  214.077   7.9222  125.250   9.1644   0.0000   0.0000  125.250   9.1644  ?   ?   214.077   7.9222      ?      ? 
1 1 1   13   18   43 o   75.295   12.244   18.999   5.3078   5.6504   8.9068   26.351   6.6097   53.325   21.012   97.266   12.576 -43.94155 24.48805 
1 1 1   13   18   44 o  154.650   7.4141   66.155   6.0122   66.260   9.7498   66.091   7.6370  154.304   11.693  154.995   9.1184 -0.6904907 14.82819 
1 1 1   13   18   45 o   84.788   12.389   22.893   5.3096   15.650   8.9215   26.866   6.6071   71.581   21.407   97.995   12.477 -26.41413 24.77784 
1 1 1   13   18   46 o  140.222   7.7307   54.524   5.7140   55.647   9.1790   53.814   7.3011  140.954   12.051  139.489   9.6863 1.465240 15.46137 
1 1 1   13   18   47 o  240.859   6.1449  160.593   7.9107  155.596   11.997  164.438   10.522  237.138   9.3621  244.581   7.9617 -7.442398 12.28972 
1 1 1   13   18   48 o  120.943   11.008   40.946   7.1944   0.0000   0.0000   40.946   7.1944  ?   ?   120.943   11.008      ?      ? 
1 1 1   13   18   49 o   70.189   12.431   15.668   5.4210   4.8462   8.3755   23.469   7.1116   50.008   20.151   90.371   14.563 -40.36325 24.86257 
1 1 1   13   18   50 o   54.834   14.036   7.5572   5.4016   12.685   8.5161   4.1056   6.9869   63.767   21.170   45.901   18.437 17.86536 28.07273 
1 1 1   13   18   51 f   45.670   13.480   3.0469   5.4973   2.8030   8.4553   3.2255   7.2353   46.554   19.637   44.786   18.471 1.767830 26.95950 
1 1 1   13   18   52 o   55.809   14.391   9.3839   5.6023   9.2903   8.6092   9.4526   7.3781   56.046   21.019   55.573   19.662 0.4727325 28.78192 
1 1 1   13   18   53 o   72.898   14.296   17.124   5.9251   22.066   8.7460   12.933   8.0554   82.479   19.861   63.316   20.568 19.16346 28.59229 
1 1 1   13   18   54 o  100.202   12.086   30.303   6.2827   39.961   9.5390   22.903   8.3495  115.864   15.236   84.541   18.767 31.32239 24.17274 
1 1 1   13   18   55 o  112.247   11.486   41.556   6.4151   30.765   9.5750   50.346   8.6413   94.492   19.402  130.002   12.301 -35.51045 22.97289 
1 1 1   13   18   56 o   41.479   12.054  -4.9715   5.7820 -23.9412   8.5828   10.791   7.8237   25.977   13.099   56.980   20.238 -31.00282 24.10722 
1 1 1   13   18   57 o   63.852   14.436   15.115   6.0397   8.9242   8.7552   20.737   8.3426   52.129   20.740   75.574   20.085 -23.44528 28.87136 
1 1 1   13   19    0 o  236.336   7.3927  150.576   9.4237  161.548   13.830  141.066   12.876  244.343   10.474  228.330   10.436 16.01305 14.78550 
1 1 1   13   19    1 o  444.970   7.1318  534.919   17.133  505.892   23.761  566.357   24.728  432.409   10.169  457.532   10.002 -25.12283 14.26370 
1 1 1   13   19    2 o  260.798   7.1733  184.085   10.099  194.300   14.339  174.028   14.228  267.989   9.9015  253.607   10.382 14.38173 14.34665 
1 1 1   13   19    3 f  518.295   9.5863  738.316   25.523  763.985   31.834  692.117   42.706  531.309   11.088  505.280   15.641 26.02847 19.17262 
1 1 1   13   19    4 o  137.699   10.483   51.336   7.7967   53.115   11.232   49.682   10.831  139.998   14.848  135.399   14.803 4.598969 20.96652 
1 1 1   13   19    5 o  569.682   10.288  902.664   29.744  808.558   50.342  953.133   36.867  545.957   17.064  593.408   11.497 -47.45056 20.57599 
1 1 1   13   19    6 o  188.105   8.1715   96.090   8.2591   84.104   11.650  108.200   11.710  176.253   12.232  199.957   10.838 -23.70439 16.34291 
1 1 1   13   19    7 o  541.312   9.0475  794.339   25.021  790.766   43.035  796.164   30.753  540.193   14.743  542.431   10.492 -2.238770 18.09506 
1 1 1   13   19    8 f  445.136   7.6840  523.625   16.135  562.162   32.424  510.942   18.601  455.594   13.170  434.678   7.9192 20.91611 15.36799 
1 1 1   13   19    9 o  474.249   9.7532  608.508   24.994   0.0000   0.0000  608.508   24.994  ?   ?   474.249   9.7532      ?      ? 
1 1 1   13   19   10 o  1067.69   13.125  3088.16   75.724   0.0000   0.0000  3088.16   75.724  ?   ?   1067.69   13.125      ?      ? 
1 1 1   13   19   11 o  690.342   13.139  1291.34   49.015   0.0000   0.0000  1291.34   49.015  ?   ?   690.342   13.139      ?      ? 
1 1 1   13   19   12 f  312.137   10.683  263.772   18.019   0.0000   0.0000  263.772   18.019  ?   ?   312.137   10.683      ?      ? 
1 1 1   13   19   13 f  511.284   11.020  707.848   30.447   0.0000   0.0000  707.848   30.447  ?   ?   511.284   11.020      ?      ? 
1 1 1   13   19   14 o  319.020   7.2246  275.234   12.454   0.0000   0.0000  275.234   12.454  ?   ?   319.020   7.2246      ?      ? 
1 1 1   13   19   15 o  689.995   10.565  1289.02   39.390   0.0000   0.0000  1289.02   39.390  ?   ?   689.995   10.565      ?      ? 
1 1 1   13   19   16 o  864.564   15.218  2029.20   71.098   0.0000   0.0000  2029.20   71.098  ?   ?   864.564   15.218      ?      ? 
1 1 1   13   19   17 o  371.604   7.3434  373.569   14.746   0.0000   0.0000  373.569   14.746  ?   ?   371.604   7.3434      ?      ? 
1 1 1   13   19   18 o  797.221   10.169  1721.74   43.806   0.0000   0.0000  1721.74   43.806  ?   ?   797.221   10.169      ?      ? 
1 1 1   13   19   19 f  543.291   7.7173  798.752   22.656   0.0000   0.0000  798.752   22.656  ?   ?   543.291   7.7173      ?      ? 
1 1 1   13   19   20 o  268.173   6.6402  194.546   9.6224   0.0000   0.0000  194.546   9.6224  ?   ?   268.173   6.6402      ?      ? 
1 1 1   13   19   21 o   82.734   15.419   19.215   6.6398   0.0000   0.0000   19.215   6.6398  ?   ?    82.734   15.419      ?      ? 
1 1 1   13   19   22 o  569.240   8.9341  883.721   23.764  872.523   47.434  887.473   27.459  566.083   15.507  572.396   8.8776 -6.313110 17.86825 
1 1 1   13   19   23 o  282.809   7.0385  212.973   9.1648  224.369   19.003  209.518   10.462  287.390   12.237  278.227   6.9586 9.163086 14.07691 
1 1 1   13   19   24 o  137.707   10.916   51.800   7.8850   51.419   12.759   52.035   10.029  137.137   17.218  138.276   13.423 -1.139359 21.83172 
1 1 1   13   19   25 o  169.335   11.903   77.949   10.891   77.949   10.891   0.0000   0.0000  169.335   11.903  ?   ?       ?      ? 
1 1 1   13   19   26 o  261.017   6.5864  185.205   9.2572  179.735   13.556  189.986   12.672  257.348   9.7478  264.687   8.8601 -7.338776 13.17277 
1 1 1   13   19   27 o   92.989   13.581   24.363   6.5536   27.128   10.019   22.295   8.6642   97.553   19.686   88.426   18.716 9.126083 27.16264 
1 1 1   13   19   28 o  339.233   8.6146  312.305   15.791   0.0000   0.0000  312.305   15.791  ?   ?   339.233   8.6146      ?      ? 
1 1 1   13   19   29 o  277.245   6.4340  209.257   9.6134  193.430   13.678  224.706   13.514  266.798   9.4877  287.692   8.6930 -20.89468 12.86802 
1 1 1   13   19   30 o  142.656   9.0939   56.931   6.8329   44.814   10.020   67.463   9.3418  127.913   14.497  157.398   10.984 -29.48445 18.18783 
1 1 1   13   19   31 o   56.047   16.845   1.0595   7.5275   4.8806   16.049  -0.0181   8.5231   66.583   27.491   45.511   19.475 21.07184 33.69018 
1 1 1   13   19   32 o  134.579   13.309   48.980   9.1250   54.595   16.159   46.351   11.057  139.514   21.435  129.645   15.782 9.868073 26.61828 
1 1 1   13   19   33 o  196.497   10.251  107.286   10.297  103.311   17.499  109.392   12.734  193.055   16.774  199.940   11.786 -6.884781 20.50127 
1 1 1   13   19   34 o   77.816   17.203   8.4473   8.3221   35.608   16.329  -1.0836   9.6727  108.772   27.705   46.859   20.402 61.91307 34.40615 
1 1 1   13   19   35 o  418.666   9.4351  482.762   21.255  427.477   29.733  540.541   30.396  393.763   13.974  443.569   12.681 -49.80582 18.87024 
1 1 1   13   19   36 o  127.877   9.4335   46.207   6.2981   40.103   9.8814   50.383   8.1734  120.194   15.214  135.560   11.158 -15.36646 18.86707 
1 1 1   13   19   37 o  218.092   6.5301  131.556   7.5994  113.379   11.087  147.663   10.436  203.472   10.084  232.711   8.2994 -29.23837 13.06011 
1 1 1   13   19   38 o  124.049   9.0255   41.242   5.9417   49.721   9.5719   35.928   7.5786  134.002   13.219  114.096   12.292 19.90602 18.05105 
1 1 1   13   19   39 o  155.834   7.7766   68.504   6.3525   58.193   9.7838   76.020   8.3526  145.030   12.484  166.639   9.2760 -21.60843 15.55315 
1 1 1   13   19   40 o  294.235   8.0908  236.595   12.864   0.0000   0.0000  236.595   12.864  ?   ?   294.235   8.0908      ?      ? 
1 1 1   13   19   41 f   56.223   14.244   7.7468   5.3239   10.552   8.8967   6.1816   6.6451   61.963   21.617   50.484   18.554 11.47809 28.48766 
1 1 1   13   19   42 o   90.540   11.798   23.074   5.4183   28.490   8.9876   19.982   6.7911   98.382   17.550   82.698   15.773 15.68333 23.59598 
1 1 1   13   19   43 o  186.747   8.3258   95.679   8.4017   0.0000   0.0000   95.679   8.4017  ?   ?   186.747   8.3258      ?      ? 
1 1 1   13   19   44 o  219.584   6.3927  133.458   7.4890  128.166   11.406  137.468   9.9289  215.375   9.8008  223.794   8.2104 -8.418747 12.78537 
1 1 1   13   19   45 o  193.400   6.7092  103.988   6.8764  100.370   10.721  106.517   8.9626  190.060   10.439  196.740   8.4305 -6.680557 13.41835 
1 1 1   13   19   46 o  178.587   6.8368   89.043   6.4457   85.439   10.143   91.483   8.3480  175.005   10.726  182.168   8.4805 -7.163223 13.67363 
1 1 1   13   19   47 o  123.783   9.0105   44.629   5.7557   38.441   9.2226   48.577   7.3663  115.569   14.768  131.998   10.328 -16.42861 18.02094 
1 1 1   13   19   48 o  163.810   7.3626   75.292   6.3622   73.073   10.062   76.770   8.2123  161.178   11.552  166.442   9.1309 -5.264435 14.72526 
1 1 1   13   19   49 o   45.712   13.473   2.6946   5.4597   5.0839   8.5362   1.0405   7.1024   50.127   20.293   41.298   17.728 8.828625 26.94566 
1 1 1   13   19   50 o  159.316   7.8635   72.674   6.6301   66.350   10.174   77.342   8.7410  152.382   12.356  166.249   9.7300 -13.86674 15.72703 
1 1 1   13   19   51 o  107.121   12.245   38.469   6.3120   22.197   9.5987   50.866   8.3783   81.031   21.548  133.211   11.639 -52.18046 24.49089 
1 1 1   13   19   52 o  141.169   9.2839   59.843   6.7233   41.492   9.8367   75.932   9.2105  118.298   15.388  164.040   10.391 -45.74250 18.56771 
1 1 1   13   19   53 o   88.916   12.713   24.218   5.9796   32.657   9.2047   18.057   7.8653  103.658   16.433   74.174   19.402 29.48368 25.42580 
1 1 1   13   19   54 o   75.740   14.304   20.062   6.0006   25.605   9.1248   15.838   7.9652   85.176   20.142   66.304   20.314 18.87249 28.60716 
1 1 1   13   19   55 o   32.148   10.952  -8.8300   5.5491  -7.2666   8.4735 -10.0040   7.3427   34.560   16.461   29.737   14.451 4.822941 21.90402 
1 1 1   13   19   56 o   46.604   13.352   3.5824   5.8071   12.488   8.4764  -4.2941   7.9718   58.171   21.019   35.038   16.470 23.13321 26.70350 
1 1 1   13   20    1 o  324.778   6.7982  285.407   11.931  285.978   16.917  284.842   16.828  325.100   9.6299  324.455   9.5984 0.6448669 13.59650 
1 1 1   13   20    2 o  373.201   9.0469  361.539   16.414  342.794   19.146  413.513   31.881  355.909   9.9553  390.492   15.109 -34.58383 18.09376 
1 1 1   13   20    4 o  284.818   18.439  220.450   28.379  220.450   28.379   0.0000   0.0000  284.818   18.439  ?   ?       ?      ? 
1 1 1   13   20    5 o  100.846   13.895   28.031   7.4012   34.555   10.869   22.391   10.106  112.775   17.836   88.917   21.312 23.85762 27.79022 
1 1 1   13   20    6 o  362.249   7.0514  348.430   12.345  370.270   23.824  340.414   14.434  369.723   11.925  354.775   7.5289 14.94757 14.10284 
1 1 1   13   20    7 o  540.060   8.6512  782.071   22.106  806.982   43.797  773.556   25.607  545.423   14.860  534.696   8.8627 10.72668 17.30240 
1 1 1   13   20    8 o  609.357   8.3726  1004.51   27.569   0.0000   0.0000  1004.51   27.569  ?   ?   609.357   8.3726      ?      ? 
1 1 1   13   20    9 o  521.673   7.6702  736.066   21.622   0.0000   0.0000  736.066   21.622  ?   ?   521.673   7.6702      ?      ? 
1 1 1   13   20   10 o  526.174   11.390  749.831   32.386   0.0000   0.0000  749.831   32.386  ?   ?   526.174   11.390      ?      ? 
1 1 1   13   20   11 o  182.296   8.5791   89.917   8.4510   0.0000   0.0000   89.917   8.4510  ?   ?   182.296   8.5791      ?      ? 
1 1 1   13   20   12 o  196.910   10.451  105.006   11.121   0.0000   0.0000  105.006   11.121  ?   ?   196.910   10.451      ?      ? 
1 1 1   13   20   13 f  392.580   10.446  417.482   22.159   0.0000   0.0000  417.482   22.159  ?   ?   392.580   10.446      ?      ? 
1 1 1   13   20   14 f  285.689   6.7933  220.777   10.487   0.0000   0.0000  220.777   10.487  ?   ?   285.689   6.7933      ?      ? 
1 1 1   13   20   15 o  518.179   7.5211  726.549   21.060   0.0000   0.0000  726.549   21.060  ?   ?   518.179   7.5211      ?      ? 
1 1 1   13   20   16 o  420.666   10.600  479.574   24.094   0.0000   0.0000  479.574   24.094  ?   ?   420.666   10.600      ?      ? 
1 1 1   13   20   17 o  586.926   11.868  934.438   37.640   0.0000   0.0000  934.438   37.640  ?   ?   586.926   11.868      ?      ? 
1 1 1   13   20   18 o  301.100   11.020  245.840   17.930   0.0000   0.0000  245.840   17.930  ?   ?   301.100   11.020      ?      ? 
1 1 1   13   20   19 o  199.817   9.8296  108.214   10.613   0.0000   0.0000  108.214   10.613  ?   ?   199.817   9.8296      ?      ? 
1 1 1   13   20   20 o  544.152   11.361  803.743   33.405   0.0000   0.0000  803.743   33.405  ?   ?   544.152   11.361      ?      ? 
1 1 1   13   20   21 o  279.491   6.6196  211.419   9.9974   0.0000   0.0000  211.419   9.9974  ?   ?   279.491   6.6196      ?      ? 
1 1 1   13   20   22 o  277.698   7.1416  199.694   9.0287  227.252   19.367  192.042   10.206  289.076   12.398  266.321   7.0916 22.75473 14.28327 
1 1 1   13   20   23 o  391.197   7.3681  404.641   13.100  435.811   27.812  395.754   14.851  400.122   12.863  382.273   7.1893 17.84833 14.73610 
1 1 1   13   20   24 o  359.741   7.5446  348.067   13.584  361.036   24.539  342.336   16.312  364.156   12.470  355.325   8.4956 8.830902 15.08912 
1 1 1   13   20   26 o   99.642   17.522   29.061   8.3993   25.090   18.026   30.162   9.4928   94.536   30.771  104.748   16.771 -10.21124 35.04497 
1 1 1   13   20   27 o  166.617   13.174   74.528   11.305   83.761   19.612   69.932   13.835  173.661   20.899  159.573   16.045 14.08795 26.34787 
1 1 1   13   20   28 o  118.001   17.345   44.673   10.586   23.423   17.283   57.432   13.393   91.606   30.146  144.396   17.164 -52.78943 34.69008 
1 1 1   13   20   29 o   59.871   17.866   0.8712   9.3679   7.1779   16.457  -2.1523   11.394   69.686   28.188   50.057   21.959 19.62925 35.73162 
1 1 1   13   20   30 o   70.269   18.793   10.715   9.2419   11.784   16.561   10.232   11.137   74.868   28.894   65.670   24.037 9.197884 37.58527 
1 1 1   13   20   31 o  239.768   7.8073  149.654   9.8479  125.629   12.326  192.049   16.374  214.517   10.634  265.018   11.434 -50.50029 15.61450 
1 1 1   13   20   32 o  174.439   7.8424   83.643   7.3460   78.075   10.776   88.477   10.041  168.849   11.810  180.030   10.321 -11.18117 15.68479 
1 1 1   13   20   33 o  136.933   15.203   65.708   8.2942   35.158   16.836   75.498   9.5310  107.671   28.494  166.195   10.613 -58.52445 30.40615 
1 1 1   13   20   34 f  183.439   9.7021   91.907   9.6172   0.0000   0.0000   91.907   9.6172  ?   ?   183.439   9.7021      ?      ? 
1 1 1   13   20   35 o  232.953   7.4591  148.000   9.2993  143.469   12.247  154.167   14.290  228.966   9.8989  236.940   11.161 -7.974121 14.91824 
1 1 1   13   20   36 o   48.618   13.960   3.0749   5.6533   4.8486   8.8769   1.8647   7.3327   52.646   20.903   44.589   18.510 8.056915 27.92058 
1 1 1   13   20   37 o   65.039   14.254   12.473   5.7348   7.1553   9.3038   15.732   7.2828   56.986   21.740   73.093   18.440 -16.10679 28.50726 
1 1 1   13   20   38 o  168.814   7.4922   79.607   6.7190   70.043   10.068   87.287   9.0220  159.192   11.704  178.435   9.3570 -19.24365 14.98450 
1 1 1   13   20   39 f  202.466   6.8707  115.009   7.3522   96.828   11.004  129.671   9.8817  187.273   10.874  217.659   8.4017 -30.38609 13.74133 
1 1 1   13   20   40 o  130.325   8.9491   48.120   6.1263   43.420   9.5788   51.372   7.9693  124.315   14.259  136.335   10.817 -12.01967 17.89820 
1 1 1   13   20   41 o  164.606   7.6194   76.491   6.5469   68.837   10.401   81.514   8.4256  157.056   12.255  172.155   9.0571 -15.09915 15.23889 
1 1 1   13   20   42 o  106.560   11.101   34.137   5.8666   27.333   9.3396   38.572   7.5397   95.498   18.768  117.623   11.863 -22.12471 22.20255 
1 1 1   13   20   43 o  126.439   8.7025   45.000   5.7899   43.962   9.2329   45.673   7.4329  124.682   13.704  128.196   10.730 -3.514076 17.40493 
1 1 1   13   20   44 o  153.742   7.9383   68.271   6.3149   56.201   9.9097   76.523   8.1941  141.044   13.002  166.440   9.1108 -25.39561 15.87655 
1 1 1   13   20   45 f   68.606   13.874   14.670   5.3128   13.680   8.8304   15.233   6.6513   66.539   21.528   70.673   17.507 -4.134026 27.74823 
1 1 1   13   20   46 o  161.662   7.6263   73.899   6.5091   68.493   10.123   77.710   8.4988  155.911   12.016  167.413   9.3947 -11.50188 15.25255 
1 1 1   13   20   47 o  172.849   7.4773   84.885   6.8066   77.358   10.597   90.170   8.8806  165.448   11.854  180.249   9.1176 -14.80144 14.95451 
1 1 1   13   20   48 o  139.035   8.7636   56.543   6.2960   48.789   10.057   61.541   8.0736  129.771   14.342  148.300   10.075 -18.52931 17.52723 
1 1 1   13   20   49 o   42.808   13.148   1.0640   5.6140  -1.5961   9.1773   2.6547   7.0968   42.357   19.070   43.259   18.104 -0.9014626 26.29530 
1 1 1   13   20   50 o  125.342   9.7489   46.682   6.4376   41.737   9.8954   50.312   8.4768  118.232   15.489  132.452   11.844 -14.21969 19.49789 
1 1 1   13   20   51 o   76.136   14.081   17.641   6.1509   28.758   9.5968   9.8906   8.0132   95.030   19.346   57.243   20.466 37.78663 28.16249 
1 1 1   13   20   52 o   68.821   14.823   15.804   5.9422   19.719   9.3863   13.186   7.6763   74.976   21.838   62.666   20.051 12.31001 29.64684 
1 1 1   13   20   53 o   54.764   14.220   9.8233   5.9511   3.5673   9.3787   14.040   7.6997   46.419   20.149   63.110   20.070 -16.69194 28.43919 
1 1 1   13   20   54 f   86.807   13.533   25.775   6.1451   23.956   9.3022   27.184   8.1854   82.208   20.896   91.407   17.203 -9.199661 27.06621 
1 1 1   13   21    1 o  106.226   19.007   32.657   9.5124   34.239   10.588   26.036   21.662  112.245   17.456  100.206   33.770 12.03819 38.01466 
1 1 1   13   21    2 o  564.946   11.488  864.540   35.071  864.540   35.071   0.0000   0.0000  564.946   11.488  ?   ?       ?      ? 
1 1 1   13   21    3 o  666.292   18.773  1207.88   67.591  1207.88   67.591   0.0000   0.0000  666.292   18.773  ?   ?       ?      ? 
1 1 1   13   21    4 o  395.443   7.0606  421.938   15.031  439.127   22.413  407.888   20.263  402.711   10.300  388.174   9.6605 14.53772 14.12113 
1 1 1   13   21    6 o  357.843   7.4517  346.525   13.817  347.973   23.107  345.719   17.238  358.297   11.935  357.389   8.9262 0.9084473 14.90339 
1 1 1   13   21    7 o  349.611   6.9630  337.299   12.161  314.189   21.451  348.244   14.762  340.456   11.660  358.766   7.6148 -18.30994 13.92604 
1 1 1   13   21    8 o  474.420   8.3936  609.184   21.518   0.0000   0.0000  609.184   21.518  ?   ?   474.420   8.3936      ?      ? 
1 1 1   13   21    9 f  304.268   7.6291  250.509   12.543   0.0000   0.0000  250.509   12.543  ?   ?   304.268   7.6291      ?      ? 
1 1 1   13   21   10 o  293.723   6.9242  233.390   10.990   0.0000   0.0000  233.390   10.990  ?   ?   293.723   6.9242      ?      ? 
1 1 1   13   21   11 o  327.098   6.7935  289.436   12.008   0.0000   0.0000  289.436   12.008  ?   ?   327.098   6.7935      ?      ? 
1 1 1   13   21   12 o  435.598   7.0652  513.369   16.630   0.0000   0.0000  513.369   16.630  ?   ?   435.598   7.0652      ?      ? 
1 1 1   13   21   13 o  307.843   11.291  256.979   18.782   0.0000   0.0000  256.979   18.782  ?   ?   307.843   11.291      ?      ? 
1 1 1   13   21   14 o  270.071   7.7161  197.418   11.261   0.0000   0.0000  197.418   11.261  ?   ?   270.071   7.7161      ?      ? 
1 1 1   13   21   15 o  390.522   10.744  413.567   22.672   0.0000   0.0000  413.567   22.672  ?   ?   390.522   10.744      ?      ? 
1 1 1   13   21   16 o  183.416   14.604   91.567   14.474   0.0000   0.0000   91.567   14.474  ?   ?   183.416   14.604      ?      ? 
1 1 1   13   21   17 o  350.744   11.066  333.918   20.974   0.0000   0.0000  333.918   20.974  ?   ?   350.744   11.066      ?      ? 
1 1 1   13   21   18 o  327.811   7.2238  290.955   12.796   0.0000   0.0000  290.955   12.796  ?   ?   327.811   7.2238      ?      ? 
1 1 1   13   21   19 o  345.705   6.7656  323.537   12.639   0.0000   0.0000  323.537   12.639  ?   ?   345.705   6.7656      ?      ? 
1 1 1   13   21   20 o  510.568   10.171  707.638   28.062   0.0000   0.0000  707.638   28.062  ?   ?   510.568   10.171      ?      ? 
1 1 1   13   21   21 o  238.886   8.8194  154.771   11.385   0.0000   0.0000  154.771   11.385  ?   ?   238.886   8.8194      ?      ? 
1 1 1   13   21   22 o  411.867   9.0444  460.346   20.129   0.0000   0.0000  460.346   20.129  ?   ?   411.867   9.0444      ?      ? 
1 1 1   13   21   23 o  134.067   11.459   48.948   8.3017   0.0000   0.0000   48.948   8.3017  ?   ?   134.067   11.459      ?      ? 
1 1 1   13   21   25 o  360.332   12.793  354.504   24.910   0.0000   0.0000  354.504   24.910  ?   ?   360.332   12.793      ?      ? 
1 1 1   13   21   26 o  508.518   10.799  688.653   29.212  586.261   37.556  845.495   46.481  462.220   15.036  554.815   15.504 -92.59457 21.59770 
1 1 1   13   21   27 o  150.586   9.6423   62.195   7.8397   60.451   11.204   63.868   10.974  148.464   13.966  152.709   13.298 -4.245056 19.28452 
1 1 1   13   21   29 o  117.650   11.034   38.646   6.9252   32.288   9.9212   44.687   9.6711  107.864   17.022  127.436   14.044 -19.57119 22.06743 
1 1 1   13   21   30 o  259.725   6.6219  183.962   9.2829  180.633   13.381  187.051   12.889  257.397   9.6202  262.054   9.1022 -4.656525 13.24376 
1 1 1   13   21   31 f  158.907   8.5285   69.558   7.2766   66.174   10.755   72.415   9.8820  155.171   12.826  162.643   11.244 -7.471527 17.05704 
1 1 1   13   21   32 o  121.652   13.823   40.875   9.0868   0.0000   0.0000   40.875   9.0868  ?   ?   121.652   13.823      ?      ? 
1 1 1   13   21   33 o   49.745   14.320   2.6960   6.3070  -3.0982   9.8048   6.7858   8.2375   44.653   19.937   54.837   20.561 -10.18408 28.63959 
1 1 1   13   21   34 o  180.850   11.517  101.003   8.8821   75.631   18.447  108.660   10.134  162.384   21.023  199.316   9.4093 -36.93222 23.03302 
1 1 1   13   21   35 o  121.840   11.397   42.549   7.3247   48.960   9.9205   34.865   10.861  132.748   13.830  110.932   18.118 21.81552 22.79319 
1 1 1   13   21   36 o  125.434   10.878   44.242   7.2986   44.783   9.7029   43.536   11.077  126.673   14.175  124.194   16.505 2.479019 21.75666 
1 1 1   13   21   37 o  182.380   7.4756   91.080   7.3153   96.807   11.148   86.750   9.6942  187.223   11.019  177.538   10.105 9.684448 14.95118 
1 1 1   13   21   38 o  126.525   9.6715   44.685   6.5685   45.837   9.9234   43.786   8.7629  127.743   14.376  125.307   12.942 2.436157 19.34302 
1 1 1   13   21   39 o  135.947   9.0222   52.945   6.4277   44.837   9.8722   58.911   8.4687  126.021   14.497  145.873   10.744 -19.85244 18.04436 
1 1 1   13   21   40 o   85.934   13.459   22.533   6.0239   20.532   9.3452   23.955   7.8794   81.717   21.038   90.152   16.792 -8.434525 26.91810 
1 1 1   13   21   41 o   44.794   13.417   1.2200   5.4746   3.6410   8.9074  -0.2497   6.9401   49.801   20.512   39.788   17.302 10.01324 26.83479 
1 1 1   13   21   42 o   69.251   12.307   14.328   5.7977  -0.1332   8.8166   25.345   7.6956   44.430   19.407   94.072   15.139 -49.64188 24.61355 
1 1 1   13   21   43 o   61.577   13.458   11.128   5.6527   1.9422   8.6507   17.973   7.4674   46.505   19.753   76.649   18.285 -30.14478 26.91667 
1 1 1   13   21   44 o  108.950   10.061   33.835   5.8363   35.071   9.1163   32.977   7.5973  110.132   15.319  107.768   13.046 2.363548 20.12113 
1 1 1   13   21   45 o   77.843   13.674   18.758   5.6444   19.333   8.9363   18.376   7.2806   78.172   20.793   77.514   17.763 0.6583328 27.34715 
1 1 1   13   21   46 o  173.917   7.7560   88.354   6.9702   69.743   10.770  101.766   9.1430  156.327   12.750  191.507   8.8352 -35.17987 15.51206 
1 1 1   13   21   47 o  114.377   10.536   39.288   6.1350   34.099   10.092   42.329   7.7266  106.576   17.524  122.177   11.703 -15.60019 21.07248 
1 1 1   13   21   48 o   32.663   11.176 -11.2351   5.7491  -6.3286   9.1875 -14.3926   7.3704   37.784   17.736   27.542   13.603 10.24138 22.35195 
1 1 1   13   21   49 o  154.437   8.6253   69.916   6.9788   60.761   10.797   76.485   9.1459  144.247   13.852  164.628   10.281 -20.38060 17.25060 
1 1 1   13   21   50 o  105.521   12.066   35.268   6.3660   28.156   9.9419   40.210   8.2880   93.128   20.327  117.914   13.007 -24.78613 24.13231 
1 1 1   13   21   51 o   74.057   14.710   19.433   6.0530   20.416   9.5606   18.775   7.8198   74.374   22.142   73.741   19.373 0.6336136 29.42075 
1 1 1   13   21   52 o   68.712   15.048   16.864   6.1414   15.988   9.7019   17.450   7.9332   66.317   22.599   71.107   19.875 -4.789986 30.09508 
1 1 1   13   21   53 o  159.384   8.4018   76.726   7.0430   64.505   10.583   86.441   9.4356  145.808   13.433  172.960   10.096 -27.15240 16.80354 
1 1 1   13   22    0 o  544.020   16.437  805.405   48.320   0.0000   0.0000  805.405   48.320  ?   ?   544.020   16.437      ?      ? 
1 1 1   13   22    1 o  183.368   23.236   92.162   23.024   0.0000   0.0000   92.162   23.024  ?   ?   183.368   23.236      ?      ? 
1 1 1   13   22    2 o  706.062   20.015  1361.49   76.363  1361.49   76.363   0.0000   0.0000  706.062   20.015  ?   ?       ?      ? 
1 1 1   13   22    3 o  243.446   10.305  160.589   13.556   0.0000   0.0000  160.589   13.556  ?   ?   243.446   10.305      ?      ? 
1 1 1   13   22    4 o  171.037   8.9745   79.563   8.2759   84.035   11.567   74.873   11.846  176.003   12.162  166.072   13.200 9.930511 17.94894 
1 1 1   13   22    5 o  270.037   7.1523  194.585   9.9644  207.523   17.061  187.888   12.276  276.641   11.413  263.434   8.6234 13.20758 14.30464 
1 1 1   13   22    6 o  475.715   8.3296  620.775   20.620  587.162   33.599  641.084   26.116  464.999   13.372  486.431   9.9359 -21.43228 16.65918 
1 1 1   13   22    7 o  243.080   8.0870  159.948   10.622   0.0000   0.0000  159.948   10.622  ?   ?   243.080   8.0870      ?      ? 
1 1 1   13   22    8 o  261.461   7.0780  184.977   10.000   0.0000   0.0000  184.977   10.000  ?   ?   261.461   7.0780      ?      ? 
1 1 1   13   22    9 o  240.532   7.9579  156.623   10.343   0.0000   0.0000  156.623   10.343  ?   ?   240.532   7.9579      ?      ? 
1 1 1   13   22   10 o  174.067   9.7158   82.114   9.1386   0.0000   0.0000   82.114   9.1386  ?   ?   174.067   9.7158      ?      ? 
1 1 1   13   22   11 o  248.242   7.7697  166.845   10.422   0.0000   0.0000  166.845   10.422  ?   ?   248.242   7.7697      ?      ? 
1 1 1   13   22   12 o  279.947   9.1951  212.402   13.910   0.0000   0.0000  212.402   13.910  ?   ?   279.947   9.1951      ?      ? 
1 1 1   13   22   13 o  185.891   10.731   93.781   10.779   0.0000   0.0000   93.781   10.779  ?   ?   185.891   10.731      ?      ? 
1 1 1   13   22   14 o  157.512   11.867   67.420   10.100   0.0000   0.0000   67.420   10.100  ?   ?   157.512   11.867      ?      ? 
1 1 1   13   22   16 o   90.785   18.999   23.449   9.0214   0.0000   0.0000   23.449   9.0214  ?   ?    90.785   18.999      ?      ? 
1 1 1   13   22   18 o   96.092   17.767   26.121   8.8857   0.0000   0.0000   26.121   8.8857  ?   ?    96.092   17.767      ?      ? 
1 1 1   13   22   20 o  242.151   12.720  160.005   16.644   0.0000   0.0000  160.005   16.644  ?   ?   242.151   12.720      ?      ? 
1 1 1   13   22   21 f  239.197   11.929  155.998   15.419   0.0000   0.0000  155.998   15.419  ?   ?   239.197   11.929      ?      ? 
1 1 1   13   22   22 o  220.013   7.4309  131.249   8.8344   0.0000   0.0000  131.249   8.8344  ?   ?   220.013   7.4309      ?      ? 
1 1 1   13   22   23 o   77.647   15.576   17.126   6.3080   0.0000   0.0000   17.126   6.3080  ?   ?    77.647   15.576      ?      ? 
1 1 1   13   22   24 o   66.122   15.416   11.724   5.7521   9.6554   12.347   12.298   6.5006   66.636   25.135   65.608   17.858 1.028320 30.83279 
1 1 1   13   22   25 o   41.721   13.350  -3.8845   5.4755  -1.1527   11.175  -4.7475   6.2811   50.488   21.955   32.954   15.193 17.53414 26.69942 
1 1 1   13   22   26 o  250.723   12.304  172.185   16.670  172.185   16.670   0.0000   0.0000  250.723   12.304  ?   ?       ?      ? 
1 1 1   13   22   27 o  118.324   15.808   38.733   10.107   0.0000   0.0000   38.733   10.107  ?   ?   118.324   15.808      ?      ? 
1 1 1   13   22   28 o   62.891   14.717   8.8134   6.6396   18.331   9.3861  -0.7198   9.3936   79.205   21.416   46.577   20.192 32.62764 29.43405 
1 1 1   13   22   29 o  152.777   9.1831   65.333   7.3934   49.395   10.521   80.880   10.392  133.691   14.564  171.863   11.190 -38.17162 18.36628 
1 1 1   13   22   30 o  168.555   8.2254   77.982   7.4900   79.610   10.740   76.440   10.451  170.258   11.673  166.852   11.591 3.405487 16.45082 
1 1 1   13   22   31 o  153.265   12.388   64.765   10.260   0.0000   0.0000   64.765   10.260  ?   ?   153.265   12.388      ?      ? 
1 1 1   13   22   32 o  154.460   8.6870   66.127   7.2043   62.560   10.624   69.164   9.8021  150.373   13.075  158.546   11.441 -8.172958 17.37401 
1 1 1   13   22   33 o  148.140   8.9801   61.456   7.0939   53.898   10.454   67.907   9.6577  139.251   13.893  157.028   11.382 -17.77676 17.96021 
1 1 1   13   22   34 o  188.631   11.252   99.473   9.3546  101.239   20.280   98.996   10.543  187.490   20.017  189.773   10.281 -2.283264 22.50334 
1 1 1   13   22   35 o  106.028   17.100   35.840   8.1487   30.450   18.251   37.181   9.1068   96.976   30.906  115.080   14.645 -18.10342 34.19970 
1 1 1   13   22   36 o  113.553   12.028   36.671   7.3650   35.420   10.036   38.131   10.842  111.587   16.644  115.520   17.369 -3.933769 24.05611 
1 1 1   13   22   37 o   69.406   15.099   14.477   6.1950   14.430   9.2841   14.515   8.3174   69.400   22.035   69.412   20.649 -0.1170349E-01 30.19811 
1 1 1   13   22   38 o  139.350   13.513   54.600   10.175   54.600   10.175   0.0000   0.0000  139.350   13.513  ?   ?       ?      ? 
1 1 1   13   22   39 o   83.032   13.857   20.829   6.0812   22.606   9.2216   19.462   8.0894   85.944   20.198   80.119   18.977 5.824615 27.71448 
1 1 1   13   22   40 o   93.994   12.950   27.809   6.3078   17.306   9.3611   36.543   8.5369   74.476   21.842  113.512   13.918 -39.03520 25.89916 
1 1 1   13   22   41 o   38.417   12.167  -4.9478   5.7228 -14.7109   8.6533   2.6418   7.6295   31.444   15.369   45.391   18.865 -13.94679 24.33306 
1 1 1   13   22   42 o  232.832   8.5976  149.683   10.817   0.0000   0.0000  149.683   10.817  ?   ?   232.832   8.5976      ?      ? 
1 1 1   13   22   43 o  125.141   14.512   44.962   9.8136   44.962   9.8136   0.0000   0.0000  125.141   14.512  ?   ?       ?      ? 
1 1 1   13   22   44 o  103.647   11.652   32.949   6.0678   27.492   9.5464   36.649   7.8597   93.875   19.458  113.418   12.824 -19.54337 23.30420 
1 1 1   13   22   45 o  137.428   9.0251   55.273   6.4521   47.775   10.148   60.360   8.3592  128.229   14.646  146.627   10.550 -18.39783 18.05011 
1 1 1   13   22   46 o   75.001   14.892   18.611   6.2351   18.006   9.8153   19.021   8.0732   73.152   22.574   76.851   19.430 -3.698494 29.78394 
1 1 1   13   22   47 o   62.330   14.996   12.647   5.9852   11.865   9.6936   13.128   7.6087   61.161   22.420   63.499   19.921 -2.337753 29.99155 
1 1 1   13   22   48 o   64.061   14.583   13.323   6.3023   5.3290   9.8377   18.887   8.2077   51.779   21.463   76.342   19.747 -24.56304 29.16502 
1 1 1   13   22   49 o   45.402   13.578   2.4849   6.0024  -3.3092   9.4330   6.4271   7.7809   40.769   18.730   50.036   19.664 -9.266731 27.15676 
1 1 1   13   22   50 o   41.556   13.137  -1.9687   6.0904   7.2280   9.7448  -7.8639   7.8019   51.019   21.272   32.092   15.422 18.92704 26.27402 
1 1 1   13   22   51 o   45.806   13.675   3.2730   6.1250  -3.0333   9.6399   7.5426   7.9319   40.593   18.752   51.019   19.910 -10.42578 27.35075 
1 1 1   13   22   52 o   72.644   14.761   18.381   6.2637   28.634   10.010   11.783   8.0299   88.142   21.263   57.146   20.481 30.99641 29.52249 
1 1 1   13   23    0 o  192.504   13.860  100.788   14.418  100.788   14.418   0.0000   0.0000  192.504   13.860  ?   ?       ?      ? 
1 1 1   13   23    1 o  247.865   12.156  166.847   16.281   0.0000   0.0000  166.847   16.281  ?   ?   247.865   12.156      ?      ? 
1 1 1   13   23    2 o  507.141   14.409  700.000   39.488   0.0000   0.0000  700.000   39.488  ?   ?   507.141   14.409      ?      ? 
1 1 1   13   23    3 o  173.803   10.090   81.943   9.4600   77.117   12.943   87.477   13.861  168.331   14.230  179.274   14.308 -10.94383 20.17929 
1 1 1   13   23    4 o  209.006   8.7801  118.357   9.8961  108.401   13.629  129.459   14.392  199.715   12.629  218.296   12.201 -18.58110 17.56012 
1 1 1   13   23    5 o  450.062   9.3121  550.696   22.643  559.685   32.401  542.117   31.655  453.640   13.218  446.485   13.121 7.154755 18.62420 
1 1 1   13   23    6 o  479.635   9.7138  626.141   25.175  628.378   35.482  623.874   35.725  480.516   13.665  478.754   13.809 1.762115 19.42769 
1 1 1   13   23    7 o  571.236   11.424  886.262   35.263   0.0000   0.0000  886.262   35.263  ?   ?   571.236   11.424      ?      ? 
1 1 1   13   23    8 o   68.473   23.342   12.013   10.351   0.0000   0.0000   12.013   10.351  ?   ?    68.473   23.342      ?      ? 
1 1 1   13   23   10 o  107.223   17.019   31.457   9.8609   0.0000   0.0000   31.457   9.8609  ?   ?   107.223   17.019      ?      ? 
1 1 1   13   23   11 f  286.647   8.2861  222.692   12.835   0.0000   0.0000  222.692   12.835  ?   ?   286.647   8.2861      ?      ? 
1 1 1   13   23   12 o  258.802   8.4936  181.581   11.878   0.0000   0.0000  181.581   11.878  ?   ?   258.802   8.4936      ?      ? 
1 1 1   13   23   13 o  300.739   7.0177  244.962   11.404   0.0000   0.0000  244.962   11.404  ?   ?   300.739   7.0177      ?      ? 
1 1 1   13   23   14 o  326.157   8.5413  288.523   15.053   0.0000   0.0000  288.523   15.053  ?   ?   326.157   8.5413      ?      ? 
1 1 1   13   23   15 o  239.066   7.2220  154.876   9.3296   0.0000   0.0000  154.876   9.3296  ?   ?   239.066   7.2220      ?      ? 
1 1 1   13   23   16 o  189.818   8.1429   97.746   8.3522   0.0000   0.0000   97.746   8.3522  ?   ?   189.818   8.1429      ?      ? 
1 1 1   13   23   17 o  320.446   6.6459  278.222   11.508   0.0000   0.0000  278.222   11.508  ?   ?   320.446   6.6459      ?      ? 
1 1 1   13   23   18 f   98.299   13.117   26.395   6.9674   0.0000   0.0000   26.395   6.9674  ?   ?    98.299   13.117      ?      ? 
1 1 1   13   23   19 f   90.063   14.263   22.208   6.9412   0.0000   0.0000   22.208   6.9412  ?   ?    90.063   14.263      ?      ? 
1 1 1   13   23   20 o  223.483   7.1470  135.427   8.6309   0.0000   0.0000  135.427   8.6309  ?   ?   223.483   7.1470      ?      ? 
1 1 1   13   23   21 o   55.884   18.591   8.2595   6.5666   0.0000   0.0000   8.2595   6.5666  ?   ?    55.884   18.591      ?      ? 
1 1 1   13   23   22 f  184.931   7.8615   92.883   7.8560   0.0000   0.0000   92.883   7.8560  ?   ?   184.931   7.8615      ?      ? 
1 1 1   13   23   23 o  199.724   9.9540  108.747   10.743   0.0000   0.0000  108.747   10.743  ?   ?   199.724   9.9540      ?      ? 
1 1 1   13   23   24 o  241.491   7.4567  154.484   8.9737  171.554   16.582  147.414   10.671  250.196   12.265  232.786   8.4835 17.41063 14.91333 
1 1 1   13   23   25 o  176.927   8.1247   84.039   6.7792   89.099   13.563   82.354   7.8270  179.864   13.955  173.990   8.3250 5.874390 16.24940 
1 1 1   13   23   26 o   64.954   13.688   13.057   5.4914   2.2383   10.726   16.899   6.3927   53.179   22.257   76.730   15.939 -23.55157 27.37571 
1 1 1   13   23   27 o  116.433   12.806   36.544   7.6118   53.514   12.261   25.903   9.7092  138.621   16.369   94.245   19.699 44.37566 25.61276 
1 1 1   13   23   28 o   59.157   15.423   8.3043   6.5157   9.5664   9.3311   7.1033   9.1022   61.463   22.073   56.851   21.548 4.611843 30.84668 
1 1 1   13   23   29 o   89.611   14.460   23.633   6.8479   26.533   10.021   21.091   9.3799   94.899   20.163   84.323   20.731 10.57585 28.91938 
1 1 1   13   23   30 o   96.924   13.409   27.023   6.9603   45.748   10.436   12.023   9.3411  128.052   15.083   65.796   22.176 62.25553 26.81871 
1 1 1   13   23   31 o  203.154   10.418  113.358   11.436   0.0000   0.0000  113.358   11.436  ?   ?   203.154   10.418      ?      ? 
1 1 1   13   23   32 o   77.941   15.393   18.317   6.7368   17.445   9.7515   19.113   9.3178   76.201   22.277   79.681   21.250 -3.480011 30.78691 
1 1 1   13   23   33 o   84.550   14.366   21.175   6.6615   29.976   9.8390   13.727   9.0517  100.771   18.759   68.329   21.764 32.44137 28.73283 
1 1 1   13   23   34 o  104.961   12.243   31.441   6.7454   37.328   10.170   26.816   9.0135  114.606   16.421   95.315   18.163 19.29134 24.48612 
1 1 1   13   23   35 o   54.975   17.163   0.4682   7.8976   3.9550   18.423  -0.3167   8.7416   65.494   28.335   44.457   19.374 21.03705 34.32531 
1 1 1   13   23   36 o  117.213   11.091   39.115   6.9488   39.427   10.638   38.883   9.1774  117.172   16.801  117.254   14.484 -0.8255768E-01 22.18298 
1 1 1   13   23   37 o  128.094   16.348   47.095   11.315   0.0000   0.0000   47.095   11.315  ?   ?   128.094   16.348      ?      ? 
1 1 1   13   23   38 o   53.946   14.370   4.8627   6.1707   13.450   9.3260  -1.8247   8.2298   66.802   22.152   41.090   18.311 25.71257 28.74071 
1 1 1   13   23   39 o  166.851   8.1185   79.824   7.1236   63.627   10.528   93.502   9.6748  150.042   12.985  183.660   9.7485 -33.61864 16.23698 
1 1 1   13   23   40 o  121.496   10.172   41.722   6.6144   46.618   10.251   38.231   8.6576  127.259   14.907  115.733   13.844 11.52592 20.34402 
1 1 1   13   23   41 o  206.354   9.3566  118.043   10.433   0.0000   0.0000  118.043   10.433  ?   ?   206.354   9.3566      ?      ? 
1 1 1   13   23   42 o  200.275   7.2590  112.712   7.7972  103.786   11.429  120.482   10.664  192.332   10.997  208.219   9.4780 -15.88710 14.51805 
1 1 1   13   23   43 o   63.477   13.644   9.0452   6.1397   24.197   9.5101  -1.7833   8.0398   86.959   20.562   39.995   17.941 46.96412 27.28866 
1 1 1   13   23   44 o  228.923   8.8030  145.700   10.889   0.0000   0.0000  145.700   10.889  ?   ?   228.923   8.8030      ?      ? 
1 1 1   13   23   45 o   50.679   14.310   5.9786   6.1433   0.8419   9.8425   9.2568   7.8629   45.907   20.264   55.452   20.212 -9.544868 28.62077 
1 1 1   13   23   46 f  106.223   11.736   33.825   6.6677   35.242   10.245   32.784   8.7824  107.425   17.649  105.020   15.476 2.405525 23.47277 
1 1 1   13   23   47 o   57.242   14.849   8.2619   6.1905   15.829   9.7670   3.1806   8.0035   68.741   22.664   45.743   19.190 22.99811 29.69713 
1 1 1   13   23   48 o  116.828   10.890   43.029   6.6728   37.081   10.151   47.556   8.8550  107.414   17.488  126.243   12.981 -18.82887 21.77915 
1 1 1   13   23   49 o   43.915   13.718   0.7493   6.3789   5.2032   9.7661  -2.5646   8.4242   49.370   20.979   38.459   17.681 10.91054 27.43600 
1 1 1   13   23   50 f   65.113   15.360   15.745   6.3808   14.097   9.7934   16.960   8.4111   61.801   22.553   68.425   20.858 -6.624229 30.71976 
1 1 1   13   24    0 o  407.239   10.507  451.458   19.327  454.730   40.682  450.505   21.963  407.068   18.495  407.410   9.9766 -0.3415527 21.01411 
1 1 1   13   24    1 o  503.091   10.219  697.126   25.093  674.549   46.501  706.400   29.804  496.233   17.342  509.950   10.816 -13.71710 20.43806 
1 1 1   13   24    2 o  190.381   12.009   98.585   12.354   98.585   12.354   0.0000   0.0000  190.381   12.009  ?   ?       ?      ? 
1 1 1   13   24    3 o  248.540   10.075  167.696   13.532   0.0000   0.0000  167.696   13.532  ?   ?   248.540   10.075      ?      ? 
1 1 1   13   24    4 o  541.251   8.6369  807.736   22.700  772.748   42.313  821.876   26.899  532.044   14.718  550.459   9.0432 -18.41486 17.27385 
1 1 1   13   24    5 o  486.712   8.5976  631.335   20.984  680.405   38.102  609.973   25.139  499.396   14.119  474.029   9.8143 25.36761 17.19528 
1 1 1   13   24    6 o  289.598   12.080  228.255   18.903   0.0000   0.0000  228.255   18.903  ?   ?   289.598   12.080      ?      ? 
1 1 1   13   24    7 o  250.915   8.7492  170.780   11.863   0.0000   0.0000  170.780   11.863  ?   ?   250.915   8.7492      ?      ? 
1 1 1   13   24    8 o  301.682   6.9084  246.535   11.262   0.0000   0.0000  246.535   11.262  ?   ?   301.682   6.9084      ?      ? 
1 1 1   13   24    9 o  298.247   6.9784  240.996   11.247   0.0000   0.0000  240.996   11.247  ?   ?   298.247   6.9784      ?      ? 
1 1 1   13   24   10 o  237.577   7.4857  153.011   9.6101   0.0000   0.0000  153.011   9.6101  ?   ?   237.577   7.4857      ?      ? 
1 1 1   13   24   11 o  147.218   9.8453   58.912   7.8321   0.0000   0.0000   58.912   7.8321  ?   ?   147.218   9.8453      ?      ? 
1 1 1   13   24   12 o  224.432   7.4717  136.576   9.0613   0.0000   0.0000  136.576   9.0613  ?   ?   224.432   7.4717      ?      ? 
1 1 1   13   24   13 o  101.374   13.191   28.075   7.2260   0.0000   0.0000   28.075   7.2260  ?   ?   101.374   13.191      ?      ? 
1 1 1   13   24   14 o  369.032   11.240  370.949   22.414   0.0000   0.0000  370.949   22.414  ?   ?   369.032   11.240      ?      ? 
1 1 1   13   24   15 o  335.825   7.4860  305.850   13.585   0.0000   0.0000  305.850   13.585  ?   ?   335.825   7.4860      ?      ? 
1 1 1   13   24   16 o  281.257   12.111  215.960   18.407   0.0000   0.0000  215.960   18.407  ?   ?   281.257   12.111      ?      ? 
1 1 1   13   24   17 o  446.686   7.9543  541.698   19.200   0.0000   0.0000  541.698   19.200  ?   ?   446.686   7.9543      ?      ? 
1 1 1   13   24   18 o  139.233   13.713   53.191   10.317   0.0000   0.0000   53.191   10.317  ?   ?   139.233   13.713      ?      ? 
1 1 1   13   24   19 o   45.786   18.275   3.1270   6.8174   0.0000   0.0000   3.1270   6.8174  ?   ?    45.786   18.275      ?      ? 
1 1 1   13   24   20 o  152.400   17.742   64.596   14.611   0.0000   0.0000   64.596   14.611  ?   ?   152.400   17.742      ?      ? 
1 1 1   13   24   21 o  130.263   10.256   46.312   7.2192   0.0000   0.0000   46.312   7.2192  ?   ?   130.263   10.256      ?      ? 
1 1 1   13   24   22 o  109.594   11.576   32.888   6.8552   0.0000   0.0000   32.888   6.8552  ?   ?   109.594   11.576      ?      ? 
1 1 1   13   24   23 o  107.267   11.863   31.550   6.8763   0.0000   0.0000   31.550   6.8763  ?   ?   107.267   11.863      ?      ? 
1 1 1   13   24   24 o   87.457   13.739   21.113   6.4928   0.0000   0.0000   21.113   6.4928  ?   ?    87.457   13.739      ?      ? 
1 1 1   13   24   25 o  163.108   8.8473   80.924   6.4896   58.896   12.484   89.080   7.5967  145.331   15.896  180.885   7.7720 -35.55411 17.69463 
1 1 1   13   24   26 o   96.517   12.564   22.775   5.5417   36.599   11.798   18.861   6.2773  111.855   20.266   81.179   14.858 30.67678 25.12855 
1 1 1   13   24   27 o  272.674   7.7696  201.527   10.957  213.896   18.620  194.974   13.552  278.373   12.378  266.976   9.3938 11.39706 15.53917 
1 1 1   13   24   28 o   92.286   15.419   25.999   7.5610   21.782   11.570   29.142   9.9889   84.877   24.101   99.694   19.239 -14.81695 30.83829 
1 1 1   13   24   29 o   45.804   14.202  -1.2237   6.7468  -2.4650   9.5478   0.0144   9.5352   44.412   19.763   47.196   20.402 -2.784100 28.40396 
1 1 1   13   24   30 o   62.527   15.098   9.1540   6.7733   18.031   9.7619   0.9129   9.4057   77.227   22.206   47.828   20.462 29.39956 30.19643 
1 1 1   13   24   31 o  159.183   12.247   70.376   10.534   0.0000   0.0000   70.376   10.534  ?   ?   159.183   12.247      ?      ? 
1 1 1   13   24   32 o  270.524   9.3126  201.118   13.613   0.0000   0.0000  201.118   13.613  ?   ?   270.524   9.3126      ?      ? 
1 1 1   13   24   33 o  177.614   11.505   87.686   11.043   0.0000   0.0000   87.686   11.043  ?   ?   177.614   11.505      ?      ? 
1 1 1   13   24   34 o   78.436   14.599   18.988   6.7165   9.9899   9.6612   27.405   9.3438   61.191   22.389   95.682   18.743 -34.49076 29.19876 
1 1 1   13   24   35 o   60.126   15.566   8.1431   6.8512   15.633   10.525   2.6359   9.0251   71.595   23.523   48.657   20.394 22.93751 31.13270 
1 1 1   13   24   36 o  113.700   17.448   43.113   8.4449   37.005   19.690   44.490   9.3483  102.106   32.049  125.293   13.808 -23.18649 34.89660 
1 1 1   13   24   37 o   69.257   16.086   12.535   7.5247   3.9417   9.8704   24.459   11.627   51.595   21.451   86.920   23.976 -35.32575 32.17155 
1 1 1   13   24   38 o  103.967   14.344   35.034   7.7156   45.158   10.378   22.520   11.537  125.013   15.362   82.922   24.228 42.09174 28.68793 
1 1 1   13   24   39 o  264.573   9.0565  193.737   12.948   0.0000   0.0000  193.737   12.948  ?   ?   264.573   9.0565      ?      ? 
1 1 1   13   24   40 o  103.880   12.512   31.818   6.8181   38.157   10.392   27.027   9.0342  113.857   16.891   93.904   18.462 19.95348 25.02324 
1 1 1   13   24   41 o  211.518   9.6564  124.819   11.037   0.0000   0.0000  124.819   11.037  ?   ?   211.518   9.6564      ?      ? 
1 1 1   13   24   42 o  105.632   12.119   33.739   6.7087   33.083   10.031   34.270   9.0236  103.242   18.668  108.021   15.459 -4.779030 24.23804 
1 1 1   13   24   43 o  211.359   7.3050  127.434   8.2611  114.955   12.126  138.241   11.285  200.812   11.175  221.905   9.4111 -21.09286 14.60997 
1 1 1   13   24   44 o  135.855   10.080   55.543   7.1638   44.864   10.744   64.091   9.6123  122.140   16.279  149.570   11.893 -27.43001 20.16058 
1 1 1   13   24   45 o  111.340   12.592   40.152   6.9141   26.512   10.332   51.216   9.3049   89.454   21.615  133.225   12.925 -43.77130 25.18461 
1 1 1   13   24   46 o   59.345   14.554   11.081   6.4677   1.8276   9.8954   17.983   8.5458   46.347   20.394   72.343   20.770 -25.99669 29.10842 
1 1 1   13   24   47 o  195.980   7.5237  111.218   7.9328  115.200   11.857  107.992   10.673  198.610   11.049  193.349   10.216 5.260635 15.04749 
1 1 1   13   24   48 o  103.143   12.809   36.032   6.6533   23.287   9.7396   47.183   9.1103   80.609   21.824  125.677   13.415 -45.06747 25.61750 
1 1 1   13   24   49 o   66.882   13.722   16.431   6.4334   3.3399   9.6546   26.886   8.6282   45.585   20.098   88.180   18.688 -42.59534 27.44391 
1 1 1   13   25    0 o  182.382   16.562  103.183   11.612   80.270   26.554  108.601   12.912  165.183   30.885  199.581   11.972 -34.39873 33.12417 
1 1 1   13   25    1 o  133.213   11.111   48.641   7.9747   43.752   11.074   53.907   11.493  126.198   16.239  140.228   15.168 -14.02962 22.22110 
1 1 1   13   25    2 o   93.799   14.199   25.214   7.1705   33.644   10.163   16.859   10.118  110.571   17.009   77.028   22.742 33.54311 28.39893 
1 1 1   13   25    3 o  126.246   10.287   43.529   6.6333   44.009   11.446   43.286   8.1395  126.494   16.745  125.997   11.955 0.4972229 20.57469 
1 1 1   13   25    4 o  158.351   8.7272   65.881   7.2055   77.973   12.253   59.489   8.9087  168.907   13.425  147.796   11.155 21.11095 17.45431 
1 1 1   13   25    5 o  206.359   7.8064  112.609   8.2730  126.599   14.455  105.794   10.089  215.404   12.419  197.316   9.4621 18.08795 15.61279 
1 1 1   13   25    6 o  305.457   8.7718  253.335   14.479   0.0000   0.0000  253.335   14.479  ?   ?   305.457   8.7718      ?      ? 
1 1 1   13   25    7 o   75.576   18.662   16.390   7.5757   0.0000   0.0000   16.390   7.5757  ?   ?    75.576   18.662      ?      ? 
1 1 1   13   25    8 o  403.389   8.5443  441.757   18.625   0.0000   0.0000  441.757   18.625  ?   ?   403.389   8.5443      ?      ? 
1 1 1   13   25    9 f  152.540   9.8888   63.282   8.1510   0.0000   0.0000   63.282   8.1510  ?   ?   152.540   9.8888      ?      ? 
1 1 1   13   25   10 o  156.448   9.6276   66.560   8.1391   0.0000   0.0000   66.560   8.1391  ?   ?   156.448   9.6276      ?      ? 
1 1 1   13   25   11 o  136.948   10.567   51.089   7.8196   0.0000   0.0000   51.089   7.8196  ?   ?   136.948   10.567      ?      ? 
1 1 1   13   25   12 o  186.067   8.4099   94.054   8.4557   0.0000   0.0000   94.054   8.4557  ?   ?   186.067   8.4099      ?      ? 
1 1 1   13   25   13 o  296.519   8.5380  238.980   13.680   0.0000   0.0000  238.980   13.680  ?   ?   296.519   8.5380      ?      ? 
1 1 1   13   25   14 o  267.747   8.7567  194.983   12.669   0.0000   0.0000  194.983   12.669  ?   ?   267.747   8.7567      ?      ? 
1 1 1   13   25   15 o  268.229   7.5934  195.411   11.006   0.0000   0.0000  195.411   11.006  ?   ?   268.229   7.5934      ?      ? 
1 1 1   13   25   16 o  130.917   10.600   46.798   7.4988   0.0000   0.0000   46.798   7.4988  ?   ?   130.917   10.600      ?      ? 
1 1 1   13   25   17 o  125.329   15.226   43.392   10.312   0.0000   0.0000   43.392   10.312  ?   ?   125.329   15.226      ?      ? 
1 1 1   13   25   18 o   63.048   18.873   11.281   6.9322   0.0000   0.0000   11.281   6.9322  ?   ?    63.048   18.873      ?      ? 
1 1 1   13   25   19 o  252.092   12.344  174.428   16.816   0.0000   0.0000  174.428   16.816  ?   ?   252.092   12.344      ?      ? 
1 1 1   13   25   20 o  165.054   8.4381   74.186   7.5259   0.0000   0.0000   74.186   7.5259  ?   ?   165.054   8.4381      ?      ? 
1 1 1   13   25   21 o  114.153   11.027   35.724   6.8019   0.0000   0.0000   35.724   6.8019  ?   ?   114.153   11.027      ?      ? 
1 1 1   13   25   22 o   63.169   18.212   11.525   6.5583   0.0000   0.0000   11.525   6.5583  ?   ?    63.169   18.212      ?      ? 
1 1 1   13   25   23 o   82.804   15.423   19.685   6.6468   0.0000   0.0000   19.685   6.6468  ?   ?    82.804   15.423      ?      ? 
1 1 1   13   25   24 o  225.176   9.6492  138.805   11.741   0.0000   0.0000  138.805   11.741  ?   ?   225.176   9.6492      ?      ? 
1 1 1   13   25   25 o  129.193   9.9436   45.759   6.9418   0.0000   0.0000   45.759   6.9418  ?   ?   129.193   9.9436      ?      ? 
1 1 1   13   25   26 o  175.241   8.2907   85.779   6.7373   82.793   13.476   86.774   7.7793  172.196   14.482  178.287   8.0749 -6.090973 16.58149 
1 1 1   13   25   27 o   70.611   14.496   10.365   5.7482   26.779   11.227   4.5339   6.6917   93.809   22.449   47.413   18.347 46.39531 28.99264 
1 1 1   13   25   28 o  163.532   8.8464   74.261   7.2586   74.572   12.912   74.117   8.7766  162.919   14.667  164.144   9.8949 -1.224686 17.69290 
1 1 1   13   25   29 o  117.513   12.468   41.292   7.2339   24.667   10.126   58.620   10.338   90.139   21.153  144.886   13.204 -54.74670 24.93578 
1 1 1   13   25   30 o  210.605   10.651  122.691   12.122   0.0000   0.0000  122.691   12.122  ?   ?   210.605   10.651      ?      ? 
1 1 1   13   25   31 o  115.913   12.064   39.613   7.1451   29.330   10.079   50.005   10.131   98.682   19.592  133.145   14.081 -34.46288 24.12709 
1 1 1   13   25   32 f  175.184   8.6865   86.971   8.0943   73.411   11.815   98.966   11.112  161.507   13.538  188.861   10.888 -27.35442 17.37302 
1 1 1   13   25   33 o   68.209   15.804   13.757   6.9778   18.775   9.7921   8.5801   9.9458   77.539   22.225   58.879   22.474 18.66023 31.60710 
1 1 1   13   25   34 o   68.538   14.962   13.086   6.9059   23.568   9.8891   3.1090   9.6481   86.847   21.247   50.229   21.071 36.61830 29.92342 
1 1 1   13   25   35 o   35.853   12.146 -11.2989   6.7152 -10.6945   9.7290 -11.8490   9.2804   36.818   17.565   34.887   16.779 1.930729 24.29099 
1 1 1   13   25   36 f  156.396   17.329  110.649   10.333   31.171   21.147  135.577   11.843   91.991   33.206  220.802   9.9262 -128.8117 34.65788 
1 1 1   13   25   37 o  156.548   15.029   77.900   9.6642   70.158   20.741   80.047   10.922  144.533   27.563  168.563   11.991 -24.02985 30.05799 
1 1 1   13   25   38 o  161.656   10.297   75.826   8.8666   78.787   11.768   71.937   13.485  166.305   13.095  157.007   15.894 9.297684 20.59399 
1 1 1   13   25   39 o  140.728   9.9193   57.594   7.4748   52.625   10.977   61.890   10.207  134.289   15.127  147.167   12.835 -12.87781 19.83852 
1 1 1   13   25   40 o  122.516   10.944   44.244   7.2113   41.315   10.442   46.915   9.9707  118.041   16.371  126.990   14.530 -8.948395 21.88899 
1 1 1   13   25   41 o   62.371   15.671   11.971   6.8371   17.340   9.9938   7.2481   9.3741   71.184   22.889   53.558   21.411 17.62559 31.34245 
1 1 1   13   25   42 o   72.911   14.910   18.220   6.8694   8.4575   10.423   25.718   9.1339   56.515   22.583   89.307   19.476 -32.79190 29.82096 
1 1 1   13   25   43 f   93.379   14.490   28.066   7.1098   32.665   10.522   24.203   9.6445  100.931   20.000   85.828   20.973 15.10303 28.98077 
1 1 1   13   25   44 o   83.734   13.292   23.820   6.9669   5.8444   10.094   40.176   9.6282   51.939   21.652  115.530   15.423 -63.59127 26.58308 
1 1 1   13   25   45 o  134.353   10.196   55.897   7.3350   52.909   10.882   58.385   9.9302  129.724   15.523  138.981   13.223 -9.256454 20.39125 
1 1 1   13   25   46 o  164.032   8.5770   78.799   7.5801   79.578   11.165   78.132   10.324  164.305   12.575  163.759   11.667 0.5458832 17.15403 
1 1 1   13   25   47 o   68.916   15.072   16.699   6.5613   26.787   10.078   9.2762   8.6445   84.799   21.855   53.033   20.761 31.76619 30.14402 
1 1 1   13   26    0 o  103.719   13.948   30.839   7.5296   32.640   10.732   29.093   10.567  106.885   19.290  100.553   20.150 6.332108 27.89552 
1 1 1   13   26    1 o  115.735   12.540   37.635   7.4184   26.451   10.122   50.616   10.904   95.756   20.197  135.715   14.869 -39.95885 25.07997 
1 1 1   13   26    2 o  162.814   9.1870   72.396   8.0136   86.016   11.671   60.247   11.023  177.399   12.175  148.230   13.762 29.16849 18.37407 
1 1 1   13   26    3 o  133.373   10.019   49.942   6.8018   45.315   11.466   52.454   8.4490  128.113   16.562  138.633   11.278 -10.51993 20.03789 
1 1 1   13   26    4 o  141.575   9.4446   54.682   6.9254   55.856   11.630   54.037   8.6205  142.464   15.107  140.686   11.339 1.777679 18.88928 
1 1 1   13   26    5 o  304.221   12.218  253.172   20.085   0.0000   0.0000  253.172   20.085  ?   ?   304.221   12.218      ?      ? 
1 1 1   13   26    6 o  161.412   9.5606   70.945   8.3389   0.0000   0.0000   70.945   8.3389  ?   ?   161.412   9.5606      ?      ? 
1 1 1   13   26    7 o  190.915   9.6519   99.285   9.9573   0.0000   0.0000   99.285   9.9573  ?   ?   190.915   9.6519      ?      ? 
1 1 1   13   26    8 o  190.974   8.4933   99.181   8.7647   0.0000   0.0000   99.181   8.7647  ?   ?   190.974   8.4933      ?      ? 
1 1 1   13   26    9 o  156.789   9.5171   66.976   8.0633   0.0000   0.0000   66.976   8.0633  ?   ?   156.789   9.5171      ?      ? 
1 1 1   13   26   10 o  267.272   12.736  195.957   18.394   0.0000   0.0000  195.957   18.394  ?   ?   267.272   12.736      ?      ? 
1 1 1   13   26   11 o   49.021   18.844   4.6783   7.0231   0.0000   0.0000   4.6783   7.0231  ?   ?    49.021   18.844      ?      ? 
1 1 1   13   26   12 o   55.262   19.420   7.6821   7.1862   0.0000   0.0000   7.6821   7.1862  ?   ?    55.262   19.420      ?      ? 
1 1 1   13   26   13 o  178.464   8.6293   86.697   8.3217   0.0000   0.0000   86.697   8.3217  ?   ?   178.464   8.6293      ?      ? 
1 1 1   13   26   14 o  215.260   7.7412  125.971   9.0045   0.0000   0.0000  125.971   9.0045  ?   ?   215.260   7.7412      ?      ? 
1 1 1   13   26   15 o  102.090   13.328   28.701   7.3527   0.0000   0.0000   28.701   7.3527  ?   ?   102.090   13.328      ?      ? 
1 1 1   13   26   16 o  232.165   7.4580  146.559   9.3564   0.0000   0.0000  146.559   9.3564  ?   ?   232.165   7.4580      ?      ? 
1 1 1   13   26   17 o   82.110   16.659   19.462   7.1387   0.0000   0.0000   19.462   7.1387  ?   ?    82.110   16.659      ?      ? 
1 1 1   13   26   18 o  188.348   8.3035   96.713   8.4510   0.0000   0.0000   96.713   8.4510  ?   ?   188.348   8.3035      ?      ? 
1 1 1   13   26   19 f  303.361   8.7741  251.250   14.383   0.0000   0.0000  251.250   14.383  ?   ?   303.361   8.7741      ?      ? 
1 1 1   13   26   20 o  108.152   12.463   32.292   7.2838   0.0000   0.0000   32.292   7.2838  ?   ?   108.152   12.463      ?      ? 
1 1 1   13   26   21 o  142.600   9.7982   55.709   7.5501   0.0000   0.0000   55.709   7.5501  ?   ?   142.600   9.7982      ?      ? 
1 1 1   13   26   22 o   88.618   13.782   21.835   6.5995   0.0000   0.0000   21.835   6.5995  ?   ?    88.618   13.782      ?      ? 
1 1 1   13   26   23 o  168.596   11.539   78.484   10.513   0.0000   0.0000   78.484   10.513  ?   ?   168.596   11.539      ?      ? 
1 1 1   13   26   24 o  105.152   11.694   30.603   6.6447   0.0000   0.0000   30.603   6.6447  ?   ?   105.152   11.694      ?      ? 
1 1 1   13   26   25 o   40.994   17.179   1.3177   6.4024   0.0000   0.0000   1.3177   6.4024  ?   ?    40.994   17.179      ?      ? 
1 1 1   13   26   26 f  227.626   7.6252  141.561   9.3791   0.0000   0.0000  141.561   9.3791  ?   ?   227.626   7.6252      ?      ? 
1 1 1   13   26   27 o  135.415   9.5694   49.711   6.2919   55.473   12.129   47.590   7.3596  139.576   16.082  131.253   10.377 8.323456 19.13878 
1 1 1   13   26   28 o  195.014   7.6490  100.344   7.1054  116.419   14.263   95.038   8.1945  203.837   12.950  186.192   8.1447 17.64497 15.29793 
1 1 1   13   26   29 o   78.975   14.454   16.235   5.4970   26.104   11.463   13.288   6.2643   91.252   23.196   66.699   17.251 24.55300 28.90821 
1 1 1   13   26   30 o  150.110   9.6417   63.633   7.8096   60.100   11.075   67.128   11.014  145.760   14.061  154.460   13.196 -8.700455 19.28335 
1 1 1   13   26   31 o  137.865   10.251   54.423   7.5603   46.127   10.715   62.649   10.669  126.761   15.642  148.970   13.254 -22.20957 20.50252 
1 1 1   13   26   32 o   90.786   14.301   25.074   7.1322   35.492   10.432   15.932   9.7726  110.129   17.531   71.444   22.599 38.68485 28.60138 
1 1 1   13   26   33 o   60.535   15.247   9.2589   6.8882   1.2891   9.8599   16.857   9.6269   48.092   20.767   72.978   22.329 -24.88579 30.49369 
1 1 1   13   26   34 o   36.539   12.329 -11.1353   6.8652 -15.7093   9.8755  -6.8575   9.5504   33.906   16.539   39.172   18.288 -5.265953 24.65792 
1 1 1   13   26   35 o   51.983   15.158   4.5311   6.9052   5.8922   9.8544   3.2180   9.6789   53.949   21.816   50.018   21.050 3.930542 30.31557 
1 1 1   13   26   36 o   46.960   14.481   0.3694   6.9533   3.5827   10.198  -2.4220   9.5051   51.029   21.548   42.892   19.350 8.136829 28.96112 
1 1 1   13   26   37 o   61.491   18.161   8.1391   8.5953   9.7725   19.134   7.7262   9.6208   67.320   29.000   55.663   21.869 11.65658 36.32174 
1 1 1   13   26   38 o  161.668   10.307   75.591   8.8519   72.951   11.442   79.527   13.969  159.168   13.304  164.169   15.747 -5.000748 20.61454 
1 1 1   13   26   39 o  151.205   11.164   65.702   8.8934   55.988   11.159   82.613   14.723  137.229   15.049  165.182   16.495 -27.95389 22.32825 
1 1 1   13   26   40 o   70.652   16.010   16.744   7.0973   12.220   9.9613   21.409   10.115   62.100   22.733   79.204   22.550 -17.10472 32.01958 
1 1 1   13   26   41 o  164.537   12.116   77.511   10.772   0.0000   0.0000   77.511   10.772  ?   ?   164.537   12.116      ?      ? 
1 1 1   13   26   42 o   47.441   14.555   2.1393   6.9876   5.3219   9.9713  -0.9317   9.7950   51.156   21.438   43.726   19.692 7.430351 29.11008 
1 1 1   13   26   43 o   48.225   14.519   5.0873   6.7714   1.4742   10.121   8.0155   9.1111   44.811   20.113   51.640   20.944 -6.829548 29.03778 
1 1 1   13   26   44 o   83.295   15.217   25.075   7.0812   19.053   10.408   30.265   9.6621   71.586   23.386   95.004   19.475 -23.41776 30.43333 
1 1 1   13   26   45 o   54.283   15.233   8.7428   6.9085   15.022   10.152   3.3277   9.4281   62.782   22.954   45.784   20.032 16.99768 30.46609 
1 1 1   13   27    0 o  186.498   18.245   96.742   18.069  121.194   28.919   81.081   23.143  205.044   26.100  167.952   25.501 37.09180 36.48968 
1 1 1   13   27    1 o   91.318   18.235   28.787   10.645 -18.3018   27.640   36.987   11.534   67.569   31.401  115.067   18.550 -47.49795 36.47094 
1 1 1   13   27    2 o  342.217   7.4907  320.163   13.243  319.144   22.236  320.723   16.486  341.238   12.059  343.196   8.8897 -1.957703 14.98142 
1 1 1   13   27    3 f  196.570   7.6906  104.899   7.7028  107.838   13.412  103.453   9.4093  198.237   12.520  194.903   8.9341 3.333435 15.38117 
1 1 1   13   27    4 o  102.228   14.331   28.820   7.9166   0.0000   0.0000   28.820   7.9166  ?   ?   102.228   14.331      ?      ? 
1 1 1   13   27    5 o  222.453   8.4722  134.679   10.184   0.0000   0.0000  134.679   10.184  ?   ?   222.453   8.4722      ?      ? 
1 1 1   13   27    6 o  125.345   14.651   43.391   9.9237   0.0000   0.0000   43.391   9.9237  ?   ?   125.345   14.651      ?      ? 
1 1 1   13   27    7 o  120.925   11.775   40.086   7.6943   0.0000   0.0000   40.086   7.6943  ?   ?   120.925   11.775      ?      ? 
1 1 1   13   27    8 o  360.359   8.8792  353.847   17.290   0.0000   0.0000  353.847   17.290  ?   ?   360.359   8.8792      ?      ? 
1 1 1   13   27    9 o  312.604   7.8197  265.832   13.209   0.0000   0.0000  265.832   13.209  ?   ?   312.604   7.8197      ?      ? 
1 1 1   13   27   10 o  306.942   7.1264  256.054   11.820   0.0000   0.0000  256.054   11.820  ?   ?   306.942   7.1264      ?      ? 
1 1 1   13   27   11 o  155.639   9.6531   66.195   8.1184   0.0000   0.0000   66.195   8.1184  ?   ?   155.639   9.6531      ?      ? 
1 1 1   13   27   12 o  195.613   8.2395  104.284   8.7093   0.0000   0.0000  104.284   8.7093  ?   ?   195.613   8.2395      ?      ? 
1 1 1   13   27   13 o  127.849   10.978   44.869   7.5844   0.0000   0.0000   44.869   7.5844  ?   ?   127.849   10.978      ?      ? 
1 1 1   13   27   14 f   91.353   15.112   23.250   7.4600   0.0000   0.0000   23.250   7.4600  ?   ?    91.353   15.112      ?      ? 
1 1 1   13   27   15 o  101.448   13.465   28.510   7.3812   0.0000   0.0000   28.510   7.3812  ?   ?   101.448   13.465      ?      ? 
1 1 1   13   27   16 o   90.977   14.571   23.044   7.1635   0.0000   0.0000   23.044   7.1635  ?   ?    90.977   14.571      ?      ? 
1 1 1   13   27   17 o  217.663   14.837  132.181   17.451   0.0000   0.0000  132.181   17.451  ?   ?   217.663   14.837      ?      ? 
1 1 1   13   27   18 o   39.548   17.235  -0.7535   6.9185   0.0000   0.0000  -0.7535   6.9185  ?   ?    39.548   17.235      ?      ? 
1 1 1   13   27   19 o  104.132   12.785   30.090   7.1940   0.0000   0.0000   30.090   7.1940  ?   ?   104.132   12.785      ?      ? 
1 1 1   13   27   20 o  177.859   8.6300   86.597   8.2942   0.0000   0.0000   86.597   8.2942  ?   ?   177.859   8.6300      ?      ? 
1 1 1   13   27   21 o  130.594   10.149   46.955   7.1619   0.0000   0.0000   46.955   7.1619  ?   ?   130.594   10.149      ?      ? 
1 1 1   13   27   22 f   62.429   18.316   11.454   6.5814   0.0000   0.0000   11.454   6.5814  ?   ?    62.429   18.316      ?      ? 
1 1 1   13   27   23 o  137.377   9.9110   51.986   7.3573   0.0000   0.0000   51.986   7.3573  ?   ?   137.377   9.9110      ?      ? 
1 1 1   13   27   24 o   62.026   17.941   11.402   6.3553   0.0000   0.0000   11.402   6.3553  ?   ?    62.026   17.941      ?      ? 
1 1 1   13   27   25 o  138.106   11.535   53.057   8.6087   0.0000   0.0000   53.057   8.6087  ?   ?   138.106   11.535      ?      ? 
1 1 1   13   27   26 o  130.723   20.138   50.404   14.225   0.0000   0.0000   50.404   14.225  ?   ?   130.723   20.138      ?      ? 
1 1 1   13   27   27 o  166.653   8.2852   76.266   7.4611   0.0000   0.0000   76.266   7.4611  ?   ?   166.653   8.2852      ?      ? 
1 1 1   13   27   28 o   76.697   14.894   19.106   5.9991   14.363   12.216   20.613   6.8868   69.826   25.233   83.569   15.830 -13.74371 29.78709 
1 1 1   13   27   29 o   55.309   14.729   7.9590   5.8279   1.6786   11.883   9.9482   6.6874   52.520   22.739   58.098   18.728 -5.578098 29.45847 
1 1 1   13   27   30 o  184.184   8.4489   95.548   7.1546   94.910   14.545   95.752   8.2175  181.864   14.800  186.505   8.1538 -4.641708 16.89779 
1 1 1   13   27   31 o   39.285   13.108 -11.0903   7.5827 -21.2523   11.453  -3.1596   10.118   34.774   17.134   43.796   19.842 -9.021267 26.21595 
1 1 1   13   27   32 f  141.911   10.185   57.835   7.7105   46.904   10.704   69.623   11.116  127.258   15.566  156.563   13.139 -29.30467 20.37011 
1 1 1   13   27   33 o  100.556   14.213   31.459   7.4511   29.144   10.380   33.921   10.702   96.347   20.563  104.765   19.626 -8.418167 28.42599 
1 1 1   13   27   34 o  153.574   9.7439   67.825   8.0785   71.990   11.609   63.913   11.249  158.283   13.573  148.866   13.984 9.417114 19.48785 
1 1 1   13   27   35 o   55.884   15.611   7.6415   6.9898   9.0683   9.8838   6.2141   9.8864   58.014   22.340   53.755   21.812 4.258556 31.22238 
1 1 1   13   27   36 o   59.024   15.914   9.8738   7.1370   12.751   10.071   6.9713   10.115   63.518   22.918   54.531   22.085 8.986443 31.82708 
1 1 1   13   27   37 o   56.961   16.633   7.6994   8.7789 -12.0631   18.977   13.080   9.9021   50.709   24.284   63.214   22.734 -12.50463 33.26508 
1 1 1   13   27   38 o  111.959   16.836   52.594   9.8716   21.295   18.906   64.326   11.575   76.006   30.399  147.913   14.482 -71.90778 33.67231 
1 1 1   13   27   39 o   70.463   16.700   17.107   8.4372   24.181   10.540   4.4887   14.077   84.568   22.623   56.358   24.573 28.21042 33.40071 
1 1 1   13   27   40 o   52.522   14.022   1.1463   7.0674   18.403   10.017 -15.9549   9.9722   72.051   22.890   32.994   16.204 39.05662 28.04461 
1 1 1   13   27   41 f   47.607   14.702   4.0548   7.1647   5.5550   10.211   2.6001   10.055   49.347   21.222   45.867   20.352 3.479523 29.40322 
1 1 1   13   27   42 o   73.134   15.874   19.609   7.3615   11.899   10.650   26.663   10.187   59.510   23.113   86.758   21.766 -27.24759 31.74868 
1 1 1   13   27   43 o   99.301   14.253   35.473   7.4801   24.494   10.857   45.391   10.320   79.008   23.613  119.595   15.969 -40.58680 28.50565 
1 1 1   13   28    0 o  194.411   8.5524  103.477   8.9427   98.426   11.975  109.844   13.446  189.190   11.714  199.632   12.465 -10.44235 17.10477 
1 1 1   13   28    1 o   42.807   14.014  -7.9991   7.6820  -6.7860   10.900  -9.1963   10.829   43.881   20.150   41.733   19.481 2.148651 28.02753 
1 1 1   13   28    2 o  157.330   14.561   68.741   12.379   0.0000   0.0000   68.741   12.379  ?   ?   157.330   14.561      ?      ? 
1 1 1   13   28    3 o   85.743   22.299   21.935   10.429   0.0000   0.0000   21.935   10.429  ?   ?    85.743   22.299      ?      ? 
1 1 1   13   28    4 o  142.402   14.457   56.322   11.125   0.0000   0.0000   56.322   11.125  ?   ?   142.402   14.457      ?      ? 
1 1 1   13   28    5 o  187.077   11.983   96.396   12.114   0.0000   0.0000   96.396   12.114  ?   ?   187.077   11.983      ?      ? 
1 1 1   13   28    6 o   74.949   24.414   16.218   11.346   0.0000   0.0000   16.218   11.346  ?   ?    74.949   24.414      ?      ? 
1 1 1   13   28    7 o  171.877   10.466   81.027   9.7206   0.0000   0.0000   81.027   9.7206  ?   ?   171.877   10.466      ?      ? 
1 1 1   13   28    8 o  121.986   11.961   41.012   7.8844   0.0000   0.0000   41.012   7.8844  ?   ?   121.986   11.961      ?      ? 
1 1 1   13   28    9 o   78.238   17.924   17.930   7.4151   0.0000   0.0000   17.930   7.4151  ?   ?    78.238   17.924      ?      ? 
1 1 1   13   28   10 o   84.578   17.460   20.846   7.7155   0.0000   0.0000   20.846   7.7155  ?   ?    84.578   17.460      ?      ? 
1 1 1   13   28   11 o  271.489   8.6797  201.372   12.733   0.0000   0.0000  201.372   12.733  ?   ?   271.489   8.6797      ?      ? 
1 1 1   13   28   12 o   64.481   19.378   12.072   7.2972   0.0000   0.0000   12.072   7.2972  ?   ?    64.481   19.378      ?      ? 
1 1 1   13   28   13 o  370.499   8.7971  375.460   17.612   0.0000   0.0000  375.460   17.612  ?   ?   370.499   8.7971      ?      ? 
1 1 1   13   28   14 o  196.801   8.2846  105.850   8.8102   0.0000   0.0000  105.850   8.8102  ?   ?   196.801   8.2846      ?      ? 
1 1 1   13   28   15 o  149.250   9.6925   61.185   7.8170   0.0000   0.0000   61.185   7.8170  ?   ?   149.250   9.6925      ?      ? 
1 1 1   13   28   16 o   38.954   17.061  -0.9331   6.8536   0.0000   0.0000  -0.9331   6.8536  ?   ?    38.954   17.061      ?      ? 
1 1 1   13   28   17 o  170.969   12.053   81.116   11.135   0.0000   0.0000   81.116   11.135  ?   ?   170.969   12.053      ?      ? 
1 1 1   13   28   18 o  130.100   10.849   46.764   7.6272   0.0000   0.0000   46.764   7.6272  ?   ?   130.100   10.849      ?      ? 
1 1 1   13   28   19 o   59.551   19.117   10.221   6.9738   0.0000   0.0000   10.221   6.9738  ?   ?    59.551   19.117      ?      ? 
1 1 1   13   28   20 o  283.708   8.5447  220.875   13.100   0.0000   0.0000  220.875   13.100  ?   ?   283.708   8.5447      ?      ? 
1 1 1   13   28   21 f   50.877   18.583   6.5057   6.6511   0.0000   0.0000   6.5057   6.6511  ?   ?    50.877   18.583      ?      ? 
1 1 1   13   28   22 o  129.019   10.756   46.142   7.4990   0.0000   0.0000   46.142   7.4990  ?   ?   129.019   10.756      ?      ? 
1 1 1   13   28   23 o   75.807   17.284   17.180   6.9228   0.0000   0.0000   17.180   6.9228  ?   ?    75.807   17.284      ?      ? 
1 1 1   13   28   24 o  106.121   11.752   31.462   6.7391   0.0000   0.0000   31.462   6.7391  ?   ?   106.121   11.752      ?      ? 
1 1 1   13   28   25 o  115.928   11.069   37.466   6.9341   0.0000   0.0000   37.466   6.9341  ?   ?   115.928   11.069      ?      ? 
1 1 1   13   28   26 o  125.773   10.728   44.076   7.2913   0.0000   0.0000   44.076   7.2913  ?   ?   125.773   10.728      ?      ? 
1 1 1   13   28   27 o   72.573   17.467   16.016   6.7670   0.0000   0.0000   16.016   6.7670  ?   ?    72.573   17.467      ?      ? 
1 1 1   13   28   28 o  122.709   11.408   42.261   7.5642   0.0000   0.0000   42.261   7.5642  ?   ?   122.709   11.408      ?      ? 
1 1 1   13   28   29 o  287.017   7.7607  224.656   10.987  245.270   20.537  216.390   13.005  294.089   12.923  279.945   8.5971 14.14383 15.52146 
1 1 1   13   28   30 o   75.007   14.900   19.423   6.3067   10.541   12.637   22.369   7.2779   63.541   25.031   86.473   16.170 -22.93270 29.79972 
1 1 1   13   28   31 o  128.393   10.709   46.982   6.5788   50.270   12.777   45.796   7.6742  129.253   18.294  127.533   11.136 1.719330 21.41702 
1 1 1   13   28   32 o   78.578   16.817   20.708   7.9138   16.151   11.369   24.991   11.023   70.411   24.444   86.744   23.103 -16.33311 33.63390 
1 1 1   13   28   33 o   67.460   16.187   14.339   7.3166   19.911   10.400   8.8807   10.295   77.075   23.127   57.846   22.653 19.22947 32.37350 
1 1 1   13   28   34 o  140.968   10.732   58.908   8.1429   52.292   11.206   66.310   11.853  132.164   15.691  149.771   14.645 -17.60756 21.46390 
1 1 1   13   28   35 o  119.463   12.538   44.079   7.8235   36.910   10.843   51.864   11.299  107.451   19.388  131.476   15.905 -24.02567 25.07658 
1 1 1   13   28   36 o   64.882   16.699   13.287   7.7033   17.180   11.055   9.6124   10.740   71.007   24.123   58.756   23.099 12.25041 33.39899 
1 1 1   13   28   37 o   78.439   16.655   21.364   7.9229   27.457   11.078   14.984   11.336   89.818   22.789   67.060   24.295 22.75800 33.31062 
1 1 1   13   28   38 o   71.291   19.285   9.4148   9.3097   47.252   20.556  -0.3487   10.442   98.172   32.897   44.410   20.135 53.76218 38.57023 
1 1 1   13   28   39 o   36.364   12.366 -12.1700   7.3113 -22.5047   10.254  -1.4821   10.428   30.001   15.015   42.727   19.653 -12.72649 24.73253 
1 1 1   13   28   40 o   59.577   16.372   11.757   8.2770   17.241   10.099   0.5347   14.446   68.459   23.058   50.695   23.249 17.76396 32.74424 
1 1 1   13   28   41 o   61.206   14.958   12.300   7.2013  -0.1143   10.378   23.827   10.001   43.407   19.832   79.005   22.398 -35.59770 29.91581 
1 1 1   13   29    0 o  120.485   10.631   40.562   6.6299   40.766   11.083   40.448   8.2734  120.124   17.074  120.846   12.670 -0.7216415 21.26154 
1 1 1   13   29    1 o   90.388   13.912   23.964   6.4660   25.270   10.428   23.148   8.2416   91.792   21.416   88.985   17.762 2.806961 27.82319 
1 1 1   13   29    2 o  138.107   12.657   53.647   8.0316   99.099   12.634   22.824   10.404  189.235   12.356   86.980   22.094 102.2547 25.31390 
1 1 1   13   29    3 o  144.087   10.283   57.047   8.0064   0.0000   0.0000   57.047   8.0064  ?   ?   144.087   10.283      ?      ? 
1 1 1   13   29    4 o   82.164   17.515   19.802   7.5389   0.0000   0.0000   19.802   7.5389  ?   ?    82.164   17.515      ?      ? 
1 1 1   13   29    5 o   95.683   14.940   25.660   7.7246   0.0000   0.0000   25.660   7.7246  ?   ?    95.683   14.940      ?      ? 
1 1 1   13   29    6 o   42.764   18.316   0.4010   7.5518   0.0000   0.0000   0.4010   7.5518  ?   ?    42.764   18.316      ?      ? 
1 1 1   13   29    7 o  152.186   14.883   65.010   12.239   0.0000   0.0000   65.010   12.239  ?   ?   152.186   14.883      ?      ? 
1 1 1   13   29    8 o  134.202   16.497   51.043   11.964   0.0000   0.0000   51.043   11.964  ?   ?   134.202   16.497      ?      ? 
1 1 1   13   29   10 o  133.593   16.837   50.756   12.155   0.0000   0.0000   50.756   12.155  ?   ?   133.593   16.837      ?      ? 
1 1 1   13   29   11 o   63.085   23.966   9.6607   11.277   0.0000   0.0000   9.6607   11.277  ?   ?    63.085   23.966      ?      ? 
1 1 1   13   29   12 o   49.425   21.371   0.4485   10.468   0.0000   0.0000   0.4485   10.468  ?   ?    49.425   21.371      ?      ? 
1 1 1   13   29   13 o  130.137   16.437   48.199   11.559   0.0000   0.0000   48.199   11.559  ?   ?   130.137   16.437      ?      ? 
1 1 1   13   29   14 o   76.384   23.990   17.878   11.030   0.0000   0.0000   17.878   11.030  ?   ?    76.384   23.990      ?      ? 
1 1 1   13   29   15 o   57.979   23.207   6.6862   11.027   0.0000   0.0000   6.6862   11.027  ?   ?    57.979   23.207      ?      ? 
1 1 1   13   29   16 f  316.278   8.7149  274.812   14.894   0.0000   0.0000  274.812   14.894  ?   ?   316.278   8.7149      ?      ? 
1 1 1   13   29   17 o   62.200   19.167   11.451   7.0789   0.0000   0.0000   11.451   7.0789  ?   ?    62.200   19.167      ?      ? 
1 1 1   13   29   18 o  125.830   11.377   44.038   7.7357   0.0000   0.0000   44.038   7.7357  ?   ?   125.830   11.377      ?      ? 
1 1 1   13   29   19 o   54.455   19.538   7.8801   7.3096   0.0000   0.0000   7.8801   7.3096  ?   ?    54.455   19.538      ?      ? 
1 1 1   13   29   20 o  101.455   13.574   29.084   7.4419   0.0000   0.0000   29.084   7.4419  ?   ?   101.455   13.574      ?      ? 
1 1 1   13   29   21 o  134.228   10.338   50.031   7.4986   0.0000   0.0000   50.031   7.4986  ?   ?   134.228   10.338      ?      ? 
1 1 1   13   29   22 o   53.860   18.783   8.0664   6.7167   0.0000   0.0000   8.0664   6.7167  ?   ?    53.860   18.783      ?      ? 
1 1 1   13   29   23 o  189.338   11.005  100.161   11.259   0.0000   0.0000  100.161   11.259  ?   ?   189.338   11.005      ?      ? 
1 1 1   13   29   24 o  113.983   11.622   36.500   7.1582   0.0000   0.0000   36.500   7.1582  ?   ?   113.983   11.622      ?      ? 
1 1 1   13   29   25 o   96.677   12.981   26.525   6.7814   0.0000   0.0000   26.525   6.7814  ?   ?    96.677   12.981      ?      ? 
1 1 1   13   29   26 o   62.077   18.635   11.749   6.7512   0.0000   0.0000   11.749   6.7512  ?   ?    62.077   18.635      ?      ? 
1 1 1   13   29   27 o   75.886   16.846   17.493   6.7276   0.0000   0.0000   17.493   6.7276  ?   ?    75.886   16.846      ?      ? 
1 1 1   13   29   28 o   77.239   16.884   18.243   6.8505   0.0000   0.0000   18.243   6.8505  ?   ?    77.239   16.884      ?      ? 
1 1 1   13   29   29 o   44.313   13.858   0.3075   5.9460  -0.9691   11.487   0.7748   6.9495   48.083   21.516   40.544   17.472 7.538742 27.71608 
1 1 1   13   29   30 o  137.707   10.590   50.887   6.9930   66.261   14.140   45.909   8.0459  148.260   17.649  127.155   11.710 21.10490 21.18060 
1 1 1   13   29   31 o  175.323   9.7015   91.506   8.4330   84.752   14.862   94.714   10.241  167.614   16.409  183.032   10.355 -15.41809 19.40292 
1 1 1   13   29   32 o  107.473   13.645   42.745   6.7807   22.435   11.838   52.662   8.2722   79.112   24.853  135.834   11.270 -56.72156 27.28925 
1 1 1   13   29   33 o  109.707   16.051   39.535   9.0468   44.279   14.422   36.456   11.617  113.712   24.213  105.702   21.077 8.009850 32.10164 
1 1 1   13   29   34 o   98.373   15.244   32.109   8.1896   43.431   11.654   21.064   11.511  119.042   18.117   77.705   24.521 41.33686 30.48790 
1 1 1   13   29   35 o   72.951   16.878   19.139   7.8010   22.597   10.842   15.428   11.233   79.415   23.565   66.488   24.170 12.92687 33.75640 
1 1 1   13   29   36 o  152.655   15.533   73.196   12.813   0.0000   0.0000   73.196   12.813  ?   ?   152.655   15.533      ?      ? 
1 1 1   13   29   37 o   44.609   14.774  -6.1303   8.2596 -11.5780   10.099   4.8739   14.354   35.267   17.094   53.950   24.102 -18.68302 29.54874 
1 1 1   13   29   38 o   64.378   17.722   15.118   8.5410   12.902   10.577   19.270   14.478   60.302   23.139   68.455   26.849 -8.152500 35.44353 
1 1 1   13   29   39 o   59.971   25.927   14.034   15.402   0.0000   0.0000   14.034   15.402  ?   ?    59.971   25.927      ?      ? 
1 1 1   13   30    0 o  157.635   8.7505   68.181   7.0463   72.162   12.270   66.222   8.6071  160.308   14.164  154.961   10.279 5.346725 17.50108 
1 1 1   13   30    1 o   99.781   12.624   30.148   6.3394   24.504   10.119   33.793   8.1332   89.738   21.205  109.824   13.705 -20.08633 25.24803 
1 1 1   13   30    2 o  191.548   9.4577  100.893   9.7893   0.0000   0.0000  100.893   9.7893  ?   ?   191.548   9.4577      ?      ? 
1 1 1   13   30    3 o  116.304   12.501   37.694   7.8568   0.0000   0.0000   37.694   7.8568  ?   ?   116.304   12.501      ?      ? 
1 1 1   13   30    4 o   87.354   16.992   22.459   7.7320   0.0000   0.0000   22.459   7.7320  ?   ?    87.354   16.992      ?      ? 
1 1 1   13   30    5 o   49.833   19.339   5.2000   7.4507   0.0000   0.0000   5.2000   7.4507  ?   ?    49.833   19.339      ?      ? 
1 1 1   13   30    6 o  112.851   12.722   35.591   7.7580   0.0000   0.0000   35.591   7.7580  ?   ?   112.851   12.722      ?      ? 
1 1 1   13   30    7 o   96.203   13.965   26.061   7.2598   0.0000   0.0000   26.061   7.2598  ?   ?    96.203   13.965      ?      ? 
1 1 1   13   30    8 o   59.300   19.642   10.086   7.3327   0.0000   0.0000   10.086   7.3327  ?   ?    59.300   19.642      ?      ? 
1 1 1   13   30    9 o   52.541   19.223   6.9831   7.1217   0.0000   0.0000   6.9831   7.1217  ?   ?    52.541   19.223      ?      ? 
1 1 1   13   30   10 o  144.671   10.345   57.898   8.0872   0.0000   0.0000   57.898   8.0872  ?   ?   144.671   10.345      ?      ? 
1 1 1   13   30   11 o   65.053   19.111   12.676   7.1614   0.0000   0.0000   12.676   7.1614  ?   ?    65.053   19.111      ?      ? 
1 1 1   13   30   12 o  125.301   11.750   43.756   7.9558   0.0000   0.0000   43.756   7.9558  ?   ?   125.301   11.750      ?      ? 
1 1 1   13   30   13 o   92.938   14.956   24.560   7.5110   0.0000   0.0000   24.560   7.5110  ?   ?    92.938   14.956      ?      ? 
1 1 1   13   30   14 o   65.689   19.445   13.039   7.3892   0.0000   0.0000   13.039   7.3892  ?   ?    65.689   19.445      ?      ? 
1 1 1   13   30   15 o  113.339   13.530   36.307   8.2867   0.0000   0.0000   36.307   8.2867  ?   ?   113.339   13.530      ?      ? 
1 1 1   13   30   16 o   62.212   24.029   9.8006   11.461   0.0000   0.0000   9.8006   11.461  ?   ?    62.212   24.029      ?      ? 
1 1 1   13   30   17 o   93.469   23.019   27.856   11.549   0.0000   0.0000   27.856   11.549  ?   ?    93.469   23.019      ?      ? 
1 1 1   13   30   18 o  153.109   15.385   67.494   12.729   0.0000   0.0000   67.494   12.729  ?   ?   153.109   15.385      ?      ? 
1 1 1   13   30   19 o   51.086   21.965   2.1369   10.936   0.0000   0.0000   2.1369   10.936  ?   ?    51.086   21.965      ?      ? 
1 1 1   13   30   20 o   89.667   24.384   26.469   12.127   0.0000   0.0000   26.469   12.127  ?   ?    89.667   24.384      ?      ? 
1 1 1   13   30   21 o   67.708   25.014   13.637   12.104   0.0000   0.0000   13.637   12.104  ?   ?    67.708   25.014      ?      ? 
1 1 1   13   30   22 o   60.562   24.087   8.8226   11.805   0.0000   0.0000   8.8226   11.805  ?   ?    60.562   24.087      ?      ? 
1 1 1   13   30   23 o  185.365   14.061   98.528   14.084   0.0000   0.0000   98.528   14.084  ?   ?   185.365   14.061      ?      ? 
1 1 1   13   30   24 o   90.062   24.839   27.435   12.480   0.0000   0.0000   27.435   12.480  ?   ?    90.062   24.839      ?      ? 
1 1 1   13   30   25 o   50.099   22.391  -0.5309   12.401   0.0000   0.0000  -0.5309   12.401  ?   ?    50.099   22.391      ?      ? 
1 1 1   13   30   26 o   59.894   24.201   8.8311   12.116   0.0000   0.0000   8.8311   12.116  ?   ?    59.894   24.201      ?      ? 
1 1 1   13   30   27 o   89.683   24.766   27.961   12.398   0.0000   0.0000   27.961   12.398  ?   ?    89.683   24.766      ?      ? 
1 1 1   13   30   28 f   83.230   25.476   25.158   12.531   0.0000   0.0000   25.158   12.531  ?   ?    83.230   25.476      ?      ? 
1 1 1   13   30   29 o   55.016   23.357   5.9462   12.087   0.0000   0.0000   5.9462   12.087  ?   ?    55.016   23.357      ?      ? 
1 1 1   13   30   30 o   37.860   13.203 -23.5282   9.7590 -17.7297   13.190 -30.5405   14.506   39.277   19.149   36.443   18.181 2.834320 26.40513 
1 1 1   13   30   31 o   80.365   16.544   17.032   10.670   45.653   14.998 -12.3041   15.184  115.030   24.855   45.699   21.841 69.33090 33.08731 
1 1 1   13   30   32 o   57.504   17.466   6.7072   9.5376   3.9955   12.195   10.977   15.304   52.476   22.876   62.532   26.401 -10.05566 34.93283 
1 1 1   13   30   33 o   45.245   15.064  -3.8219   9.2745  -4.7658   11.935  -2.3829   14.736   42.563   20.053   47.927   22.486 -5.364006 30.12817 
1 1 1   13   30   34 o  106.319   17.292   44.273   9.9931   51.081   13.017   34.505   15.594  123.839   19.453   88.799   28.596 35.04041 34.58493 
1 1 1   13   30   35 o   52.947   16.374   5.6298   8.8329   7.5923   11.016   2.0964   14.781   53.732   22.527   52.162   23.768 1.570034 32.74712 
1 1 1   13   30   36 o   83.738   29.910   35.158   17.112   0.0000   0.0000   35.158   17.112  ?   ?    83.738   29.910      ?      ? 
1 1 1   13   31    0 o   78.031   14.308   19.054   6.1816   14.563   9.3138   22.590   8.2641   69.300   22.077   86.763   18.207 -17.46276 28.61654 
1 1 1   13   31    1 o   70.586   19.673   15.164   7.7845   0.0000   0.0000   15.164   7.7845  ?   ?    70.586   19.673      ?      ? 
1 1 1   13   31    2 o  163.235   10.133   73.747   8.9376   0.0000   0.0000   73.747   8.9376  ?   ?   163.235   10.133      ?      ? 
1 1 1   13   31    3 o   67.400   19.700   13.773   7.6266   0.0000   0.0000   13.773   7.6266  ?   ?    67.400   19.700      ?      ? 
1 1 1   13   31    4 o  228.574   7.8972  143.298   9.7541   0.0000   0.0000  143.298   9.7541  ?   ?   228.574   7.8972      ?      ? 
1 1 1   13   31    5 o   69.581   19.209   14.742   7.4596   0.0000   0.0000   14.742   7.4596  ?   ?    69.581   19.209      ?      ? 
1 1 1   13   31    6 o   50.207   19.208   5.7840   7.2756   0.0000   0.0000   5.7840   7.2756  ?   ?    50.207   19.208      ?      ? 
1 1 1   13   31    7 o   69.608   19.433   14.812   7.5890   0.0000   0.0000   14.812   7.5890  ?   ?    69.608   19.433      ?      ? 
1 1 1   13   31    8 o  111.389   13.145   35.022   7.9118   0.0000   0.0000   35.022   7.9118  ?   ?   111.389   13.145      ?      ? 
1 1 1   13   31    9 o   78.512   17.738   18.637   7.3482   0.0000   0.0000   18.637   7.3482  ?   ?    78.512   17.738      ?      ? 
1 1 1   13   31   10 o   50.383   19.150   6.0292   7.2021   0.0000   0.0000   6.0292   7.2021  ?   ?    50.383   19.150      ?      ? 
1 1 1   13   31   11 o  142.593   10.528   56.603   8.1123   0.0000   0.0000   56.603   8.1123  ?   ?   142.593   10.528      ?      ? 
1 1 1   13   31   12 o  108.894   13.328   33.633   7.8425   0.0000   0.0000   33.633   7.8425  ?   ?   108.894   13.328      ?      ? 
1 1 1   13   31   13 o   37.432   16.831  -2.2640   7.1215   0.0000   0.0000  -2.2640   7.1215  ?   ?    37.432   16.831      ?      ? 
1 1 1   13   31   14 o   64.529   19.410   12.793   7.3189   0.0000   0.0000   12.793   7.3189  ?   ?    64.529   19.410      ?      ? 
1 1 1   13   31   15 o   30.716   14.729  -8.8513   7.0321   0.0000   0.0000  -8.8513   7.0321  ?   ?    30.716   14.729      ?      ? 
1 1 1   13   31   16 o   59.622   19.595   10.630   7.3029   0.0000   0.0000   10.630   7.3029  ?   ?    59.622   19.595      ?      ? 
1 1 1   13   31   17 o   48.328   18.974   5.0182   7.2378   0.0000   0.0000   5.0182   7.2378  ?   ?    48.328   18.974      ?      ? 
1 1 1   13   31   18 o   39.609   17.386  -0.5001   7.1537   0.0000   0.0000  -0.5001   7.1537  ?   ?    39.609   17.386      ?      ? 
1 1 1   13   31   19 o   60.318   19.491   11.094   7.2402   0.0000   0.0000   11.094   7.2402  ?   ?    60.318   19.491      ?      ? 
1 1 1   13   31   20 o   55.221   19.761   8.7237   7.4725   0.0000   0.0000   8.7237   7.4725  ?   ?    55.221   19.761      ?      ? 
1 1 1   13   31   21 o   52.290   19.462   7.3299   7.3536   0.0000   0.0000   7.3299   7.3536  ?   ?    52.290   19.462      ?      ? 
1 1 1   13   31   22 o   67.854   19.188   14.543   7.3492   0.0000   0.0000   14.543   7.3492  ?   ?    67.854   19.188      ?      ? 
1 1 1   13   31   23 o  100.826   14.585   29.745   7.9466   0.0000   0.0000   29.745   7.9466  ?   ?   100.826   14.585      ?      ? 
1 1 1   13   31   24 o   73.154   19.022   17.332   7.5899   0.0000   0.0000   17.332   7.5899  ?   ?    73.154   19.022      ?      ? 
1 1 1   13   31   25 o  119.256   12.243   41.000   7.8897   0.0000   0.0000   41.000   7.8897  ?   ?   119.256   12.243      ?      ? 
1 1 1   13   31   26 o   78.503   19.370   19.921   8.1666   0.0000   0.0000   19.921   8.1666  ?   ?    78.503   19.370      ?      ? 
1 1 1   13   31   27 o  162.395   10.185   74.269   8.9374   0.0000   0.0000   74.269   8.9374  ?   ?   162.395   10.185      ?      ? 
1 1 1   13   31   28 o   36.172   16.691  -3.9525   7.6054   0.0000   0.0000  -3.9525   7.6054  ?   ?    36.172   16.691      ?      ? 
1 1 1   13   31   29 o  141.318   10.984   57.347   8.3877   0.0000   0.0000   57.347   8.3877  ?   ?   141.318   10.984      ?      ? 
1 1 1   13   31   30 o   62.102   19.231   13.509   7.1166   0.0000   0.0000   13.509   7.1166  ?   ?    62.102   19.231      ?      ? 
1 1 1   13   31   31 o   73.543   19.049   18.418   7.6305   0.0000   0.0000   18.418   7.6305  ?   ?    73.543   19.049      ?      ? 
1 1 1   13   31   33 o   47.358   19.483   5.9164   8.0239   0.0000   0.0000   5.9164   8.0239  ?   ?    47.358   19.483      ?      ? 
1 1 1   13   32    0 o   45.624   13.618   2.1416   5.7543  -0.2734   9.0971   3.7525   7.4295   44.648   19.602   46.600   18.908 -1.952232 27.23552 
1 1 1   13   32    1 o  104.149   14.557   31.115   8.1922   0.0000   0.0000   31.115   8.1922  ?   ?   104.149   14.557      ?      ? 
1 1 1   13   32    2 o   69.726   19.545   15.082   7.6601   0.0000   0.0000   15.082   7.6601  ?   ?    69.726   19.545      ?      ? 
1 1 1   13   32    3 o  106.498   13.552   32.301   7.7989   0.0000   0.0000   32.301   7.7989  ?   ?   106.498   13.552      ?      ? 
1 1 1   13   32    4 o   72.760   19.087   16.407   7.5979   0.0000   0.0000   16.407   7.5979  ?   ?    72.760   19.087      ?      ? 
1 1 1   13   32    5 f   69.104   19.617   14.839   7.6665   0.0000   0.0000   14.839   7.6665  ?   ?    69.104   19.617      ?      ? 
1 1 1   13   32    6 o  206.089   8.3559  117.149   9.3054   0.0000   0.0000  117.149   9.3054  ?   ?   206.089   8.3559      ?      ? 
1 1 1   13   32    7 o   70.543   19.253   15.448   7.5441   0.0000   0.0000   15.448   7.5441  ?   ?    70.543   19.253      ?      ? 
1 1 1   13   32    8 o   80.697   18.137   19.940   7.7162   0.0000   0.0000   19.940   7.7162  ?   ?    80.697   18.137      ?      ? 
1 1 1   13   32    9 o   31.269   15.047  -9.9012   7.4869   0.0000   0.0000  -9.9012   7.4869  ?   ?    31.269   15.047      ?      ? 
1 1 1   13   32   10 o  114.478   12.535   37.068   7.7539   0.0000   0.0000   37.068   7.7539  ?   ?   114.478   12.535      ?      ? 
1 1 1   13   32   11 o   69.513   19.358   15.024   7.5401   0.0000   0.0000   15.024   7.5401  ?   ?    69.513   19.358      ?      ? 
1 1 1   13   32   12 o  127.024   11.577   45.429   7.9465   0.0000   0.0000   45.429   7.9465  ?   ?   127.024   11.577      ?      ? 
1 1 1   13   32   13 o  110.069   13.293   34.642   7.9062   0.0000   0.0000   34.642   7.9062  ?   ?   110.069   13.293      ?      ? 
1 1 1   13   32   14 o   84.199   17.243   21.685   7.5813   0.0000   0.0000   21.685   7.5813  ?   ?    84.199   17.243      ?      ? 
1 1 1   13   32   15 o  134.993   15.087   53.165   11.005   0.0000   0.0000   53.165   11.005  ?   ?   134.993   15.087      ?      ? 
1 1 1   13   32   16 o   60.985   19.770   11.501   7.4441   0.0000   0.0000   11.501   7.4441  ?   ?    60.985   19.770      ?      ? 
1 1 1   13   32   17 o   60.674   20.063   11.382   7.6521   0.0000   0.0000   11.382   7.6521  ?   ?    60.674   20.063      ?      ? 
1 1 1   13   32   18 o   99.604   14.467   28.972   7.7867   0.0000   0.0000   28.972   7.7867  ?   ?    99.604   14.467      ?      ? 
1 1 1   13   32   19 o   98.174   15.083   28.574   8.0014   0.0000   0.0000   28.574   8.0014  ?   ?    98.174   15.083      ?      ? 
1 1 1   13   32   20 o   69.673   19.885   15.990   7.8558   0.0000   0.0000   15.990   7.8558  ?   ?    69.673   19.885      ?      ? 
1 1 1   13   32   21 o   56.557   20.323   9.7461   7.9116   0.0000   0.0000   9.7461   7.9116  ?   ?    56.557   20.323      ?      ? 
1 1 1   13   32   22 o   43.761   18.752   1.8747   7.9214   0.0000   0.0000   1.8747   7.9214  ?   ?    43.761   18.752      ?      ? 
1 1 1   13   32   23 o  175.353   12.441   88.318   11.788   0.0000   0.0000   88.318   11.788  ?   ?   175.353   12.441      ?      ? 
1 1 1   13   32   24 o   25.091   12.679 -25.5149   8.2969   0.0000   0.0000 -25.5149   8.2969  ?   ?    25.091   12.679      ?      ? 
1 1 1   13   32   25 o   75.535   20.115   19.128   8.3565   0.0000   0.0000   19.128   8.3565  ?   ?    75.535   20.115      ?      ? 
1 1 1   13   32   26 o   67.317   22.779   17.108   9.8570   0.0000   0.0000   17.108   9.8570  ?   ?    67.317   22.779      ?      ? 
1 1 1   13   32   27 o   43.625   19.566   0.9735   9.5572   0.0000   0.0000   0.9735   9.5572  ?   ?    43.625   19.566      ?      ? 
1 1 1   13   32   28 o   99.219   18.659   32.433   9.6367   0.0000   0.0000   32.433   9.6367  ?   ?    99.219   18.659      ?      ? 
1 1 1   13   32   29 o   52.394   21.027   8.0927   9.0791   0.0000   0.0000   8.0927   9.0791  ?   ?    52.394   21.027      ?      ? 
1 1 1   13   32   30 o   50.738   20.795   7.7363   9.0988   0.0000   0.0000   7.7363   9.0988  ?   ?    50.738   20.795      ?      ? 
1 1 1   13   33    0 o  100.447   14.572   29.213   7.9095   0.0000   0.0000   29.213   7.9095  ?   ?   100.447   14.572      ?      ? 
1 1 1   13   33    1 o   37.876   17.263  -3.2551   7.8047   0.0000   0.0000  -3.2551   7.8047  ?   ?    37.876   17.263      ?      ? 
1 1 1   13   33    2 o  126.683   11.469   45.307   7.8511   0.0000   0.0000   45.307   7.8511  ?   ?   126.683   11.469      ?      ? 
1 1 1   13   33    3 o   39.004   17.535  -2.0079   7.7261   0.0000   0.0000  -2.0079   7.7261  ?   ?    39.004   17.535      ?      ? 
1 1 1   13   33    4 o   53.159   19.795   7.6059   7.6095   0.0000   0.0000   7.6059   7.6095  ?   ?    53.159   19.795      ?      ? 
1 1 1   13   33    5 o   95.250   14.733   26.372   7.5831   0.0000   0.0000   26.372   7.5831  ?   ?    95.250   14.733      ?      ? 
1 1 1   13   33    6 o   72.557   19.629   16.713   7.8821   0.0000   0.0000   16.713   7.8821  ?   ?    72.557   19.629      ?      ? 
1 1 1   13   33    7 o  174.723   9.4884   85.091   8.9584   0.0000   0.0000   85.091   8.9584  ?   ?   174.723   9.4884      ?      ? 
1 1 1   13   33    8 o   54.867   19.855   8.5431   7.5672   0.0000   0.0000   8.5431   7.5672  ?   ?    54.867   19.855      ?      ? 
1 1 1   13   33    9 o   94.568   15.396   26.206   7.8677   0.0000   0.0000   26.206   7.8677  ?   ?    94.568   15.396      ?      ? 
1 1 1   13   33   10 o   85.292   17.681   22.497   7.8813   0.0000   0.0000   22.497   7.8813  ?   ?    85.292   17.681      ?      ? 
1 1 1   13   33   11 o  114.801   13.132   37.975   8.1462   0.0000   0.0000   37.975   8.1462  ?   ?   114.801   13.132      ?      ? 
1 1 1   13   33   12 o   46.176   18.995   3.8978   7.6271   0.0000   0.0000   3.8978   7.6271  ?   ?    46.176   18.995      ?      ? 
1 1 1   13   33   13 o  102.407   14.760   31.039   8.1676   0.0000   0.0000   31.039   8.1676  ?   ?   102.407   14.760      ?      ? 
1 1 1   13   33   14 o   53.552   19.800   8.3755   7.5864   0.0000   0.0000   8.3755   7.5864  ?   ?    53.552   19.800      ?      ? 
1 1 1   13   33   15 o   33.803   15.958  -6.4701   7.6305   0.0000   0.0000  -6.4701   7.6305  ?   ?    33.803   15.958      ?      ? 
1 1 1   13   33   16 o   36.089   16.632  -3.7831   7.5181   0.0000   0.0000  -3.7831   7.5181  ?   ?    36.089   16.632      ?      ? 
1 1 1   13   33   17 o   35.819   16.888  -6.9028   8.4951   0.0000   0.0000  -6.9028   8.4951  ?   ?    35.819   16.888      ?      ? 
1 1 1   13   33   19 o   51.047   21.671   4.1780   10.404   0.0000   0.0000   4.1780   10.404  ?   ?    51.047   21.671      ?      ? 
1 1 1   13   33   20 o   43.671   19.717  -1.3137   9.8918   0.0000   0.0000  -1.3137   9.8918  ?   ?    43.671   19.717      ?      ? 
1 1 1   13   33   22 o   56.000   22.321   10.593   10.157   0.0000   0.0000   10.593   10.157  ?   ?    56.000   22.321      ?      ? 
1 1 1   13   33   23 o  105.685   19.968   38.270   10.986   0.0000   0.0000   38.270   10.986  ?   ?   105.685   19.968      ?      ? 
1 1 1   13   33   24 o   39.041   18.280  -4.9382   9.6548   0.0000   0.0000  -4.9382   9.6548  ?   ?    39.041   18.280      ?      ? 
1 1 1   13   33   25 o   40.054   18.641  -3.7333   9.7982   0.0000   0.0000  -3.7333   9.7982  ?   ?    40.054   18.641      ?      ? 
1 1 1   13   33   26 o   31.213   15.057  -8.2541   7.6055   0.0000   0.0000  -8.2541   7.6055  ?   ?    31.213   15.057      ?      ? 
1 1 1   13   33   27 o   40.336   17.812   1.5166   7.6128   0.0000   0.0000   1.5166   7.6128  ?   ?    40.336   17.812      ?      ? 
1 1 1   13   34    0 o  117.567   16.718   42.022   10.621   0.0000   0.0000   42.022   10.621  ?   ?   117.567   16.718      ?      ? 
1 1 1   13   34    1 o  121.464   14.426   43.587   9.4685   0.0000   0.0000   43.587   9.4685  ?   ?   121.464   14.426      ?      ? 
1 1 1   13   34    2 o   40.972   17.862   0.7292   7.4370   0.0000   0.0000   0.7292   7.4370  ?   ?    40.972   17.862      ?      ? 
1 1 1   13   34    3 o   36.089   16.678  -3.9675   7.6364   0.0000   0.0000  -3.9675   7.6364  ?   ?    36.089   16.678      ?      ? 
1 1 1   13   34    4 o   47.877   19.470   4.8912   7.8978   0.0000   0.0000   4.8912   7.8978  ?   ?    47.877   19.470      ?      ? 
1 1 1   13   34    5 o   40.784   18.265  -1.0527   8.2976   0.0000   0.0000  -1.0527   8.2976  ?   ?    40.784   18.265      ?      ? 
1 1 1   13   34    6 o  102.506   15.700   31.434   8.6962   0.0000   0.0000   31.434   8.6962  ?   ?   102.506   15.700      ?      ? 
1 1 1   13   34    7 o   53.503   22.172   6.1554   10.496   0.0000   0.0000   6.1554   10.496  ?   ?    53.503   22.172      ?      ? 
1 1 1   13   34    8 o   38.579   18.346  -9.1977   10.437   0.0000   0.0000  -9.1977   10.437  ?   ?    38.579   18.346      ?      ? 
1 1 1   13   34    9 o   35.763   17.192 -11.0006   9.7150   0.0000   0.0000 -11.0006   9.7150  ?   ?    35.763   17.192      ?      ? 
1 1 1   13   34   10 o   41.511   19.293  -5.4288   10.439   0.0000   0.0000  -5.4288   10.439  ?   ?    41.511   19.293      ?      ? 
1 1 1   13   34   11 o   92.437   22.015   28.441   10.839   0.0000   0.0000   28.441   10.839  ?   ?    92.437   22.015      ?      ? 
1 1 1   13   34   12 o  123.576   16.154   45.686   10.787   0.0000   0.0000   45.686   10.787  ?   ?   123.576   16.154      ?      ? 
1 1 1   13   34   13 o   42.976   19.567  -2.5026   9.9927   0.0000   0.0000  -2.5026   9.9927  ?   ?    42.976   19.567      ?      ? 
1 1 1   13   34   14 o   44.893   20.147  -0.4299   10.151   0.0000   0.0000  -0.4299   10.151  ?   ?    44.893   20.147      ?      ? 
1 1 1   13   34   15 o   75.097   22.690   20.484   9.9850   0.0000   0.0000   20.484   9.9850  ?   ?    75.097   22.690      ?      ? 
1 1 1   13   34   16 o   50.305   21.330   6.2082   10.059   0.0000   0.0000   6.2082   10.059  ?   ?    50.305   21.330      ?      ? 
1 1 1   13   34   17 o   72.728   22.167   19.968   9.4998   0.0000   0.0000   19.968   9.4998  ?   ?    72.728   22.167      ?      ? 
1 1 1   13   34   18 o   67.686   20.363   16.151   8.0549   0.0000   0.0000   16.151   8.0549  ?   ?    67.686   20.363      ?      ? 
1 1 1   13   34   19 o   44.666   18.847   3.5933   7.7918   0.0000   0.0000   3.5933   7.7918  ?   ?    44.666   18.847      ?      ? 
1 1 1   13   34   20 o   34.574   16.264  -5.2141   7.7958   0.0000   0.0000  -5.2141   7.7958  ?   ?    34.574   16.264      ?      ? 
1 1 1   13   34   21 o   30.242   14.706  -9.9271   7.6363   0.0000   0.0000  -9.9271   7.6363  ?   ?    30.242   14.706      ?      ? 
1 1 1   13   34   22 o   50.241   19.960   7.9307   8.0987   0.0000   0.0000   7.9307   8.0987  ?   ?    50.241   19.960      ?      ? 
1 1 1   13   35    0 o  103.842   22.451   36.780   12.231   0.0000   0.0000   36.780   12.231  ?   ?   103.842   22.451      ?      ? 
1 1 1   13   35    1 o   59.205   23.759   10.242   11.590   0.0000   0.0000   10.242   11.590  ?   ?    59.205   23.759      ?      ? 
1 1 1   13   35    2 o   48.745   21.736   1.2336   11.614   0.0000   0.0000   1.2336   11.614  ?   ?    48.745   21.736      ?      ? 
1 1 1   13   35    3 f  129.253   16.419   51.365   11.468   0.0000   0.0000   51.365   11.468  ?   ?   129.253   16.419      ?      ? 
1 1 1   13   35    4 o   45.787   20.144   1.8634   9.6505   0.0000   0.0000   1.8634   9.6505  ?   ?    45.787   20.144      ?      ? 
1 1 1   13   35    5 o   40.415   18.615  -2.7030   9.3995   0.0000   0.0000  -2.7030   9.3995  ?   ?    40.415   18.615      ?      ? 
1 1 1   13   35    6 o   68.165   22.462   17.231   9.5940   0.0000   0.0000   17.231   9.5940  ?   ?    68.165   22.462      ?      ? 
1 1 1   13   35    7 o   57.386   20.521   11.450   8.0573   0.0000   0.0000   11.450   8.0573  ?   ?    57.386   20.521      ?      ? 
1 1 1   13   35    8 o   62.076   20.324   13.833   7.8596   0.0000   0.0000   13.833   7.8596  ?   ?    62.076   20.324      ?      ? 
1 1 1   13   35    9 o   40.171   17.843   0.7734   7.7488   0.0000   0.0000   0.7734   7.7488  ?   ?    40.171   17.843      ?      ? 
1 1 1   13   35   10 o   85.687   17.730   24.291   7.9386   0.0000   0.0000   24.291   7.9386  ?   ?    85.687   17.730      ?      ? 
1 1 1   13   35   11 f   69.139   19.736   16.507   7.7379   0.0000   0.0000   16.507   7.7379  ?   ?    69.139   19.736      ?      ? 
1 1 1   13   35   12 o   40.207   17.805   0.4153   7.6584   0.0000   0.0000   0.4153   7.6584  ?   ?    40.207   17.805      ?      ? 
1 1 1   13   35   13 o   46.207   18.842   5.0073   7.4223   0.0000   0.0000   5.0073   7.4223  ?   ?    46.207   18.842      ?      ? 
1 1 1   13   35   14 o   46.007   19.034   4.8377   7.7158   0.0000   0.0000   4.8377   7.7158  ?   ?    46.007   19.034      ?      ? 
1 1 1   13   35   15 o   41.603   18.166   2.0210   7.7189   0.0000   0.0000   2.0210   7.7189  ?   ?    41.603   18.166      ?      ? 
1 1 1   13   35   16 o  113.080   13.648   39.230   8.3397   0.0000   0.0000   39.230   8.3397  ?   ?   113.080   13.648      ?      ? 
1 1 1   13   35   17 o   54.008   19.932   10.201   7.6813   0.0000   0.0000   10.201   7.6813  ?   ?    54.008   19.932      ?      ? 
1 1 1   13   36    0 f   41.597   18.476   0.8602   8.3082   0.0000   0.0000   0.8602   8.3082  ?   ?    41.597   18.476      ?      ? 
1 1 1   13   36    1 o   73.844   19.596   19.002   7.9489   0.0000   0.0000   19.002   7.9489  ?   ?    73.844   19.596      ?      ? 
1 1 1   13   36    2 o   33.537   15.970  -6.6373   7.9660   0.0000   0.0000  -6.6373   7.9660  ?   ?    33.537   15.970      ?      ? 
1 1 1   13   36    3 o   46.256   19.432   4.8187   8.2252   0.0000   0.0000   4.8187   8.2252  ?   ?    46.256   19.432      ?      ? 
1 1 1   13   36    4 o   77.302   19.890   21.182   8.3564   0.0000   0.0000   21.182   8.3564  ?   ?    77.302   19.890      ?      ? 
1 1 1   13   36    5 o   52.735   20.137   9.2260   7.9870   0.0000   0.0000   9.2260   7.9870  ?   ?    52.735   20.137      ?      ? 
1 1 1   13   36    6 o   71.416   19.589   18.251   7.7871   0.0000   0.0000   18.251   7.7871  ?   ?    71.416   19.589      ?      ? 
1 1 1   13   36    7 o   35.499   16.510  -3.0969   7.6658   0.0000   0.0000  -3.0969   7.6658  ?   ?    35.499   16.510      ?      ? 
1 1 1   13   36    8 o   40.349   17.891   1.3082   7.7585   0.0000   0.0000   1.3082   7.7585  ?   ?    40.349   17.891      ?      ? 
1 1 1   14    0    0 o  813.989   9.8802  1793.65   61.418  1793.65   61.418  1793.65   61.418  813.989   13.973  813.989   13.973 0.000000 0.000000 
1 1 1   14    0    1 f  762.095   9.2961  1572.07   54.103  1572.07   54.103  1572.07   54.103  762.095   13.147  762.095   13.147 0.000000 0.000000 
1 1 1   14    0    2 o  373.229   5.0413  376.881   14.367  376.881   14.367  376.881   14.367  373.229   7.1294  373.229   7.1294 0.000000 0.000000 
1 1 1   14    0    3 o  681.797   8.3764  1258.05   43.614  1258.05   43.614  1258.05   43.614  681.797   11.846  681.797   11.846 0.000000 0.000000 
1 1 1   14    0    4 f  284.180   4.2090  218.525   9.1315  218.525   9.1315  218.525   9.1315  284.180   5.9524  284.180   5.9524 0.000000 0.000000 
1 1 1   14    0    5 o   71.335   4.2487   14.042   2.2783   14.042   2.2783   14.042   2.2783   71.335   6.0086   71.335   6.0086 0.000000 0.000000 
1 1 1   14    0    8 o  118.206   3.6806   37.977   3.3101   37.977   3.3101   37.977   3.3101  118.206   5.2051  118.206   5.2051 0.000000 0.000000 
1 1 1   14    0    9 o  177.931   3.6417   85.768   4.9424   85.768   4.9424   85.768   4.9424  177.931   5.1502  177.931   5.1502 0.000000 0.000000 
1 1 1   14    0   10 o  842.402   10.228  1921.63   65.797  1921.63   65.797  1921.63   65.797  842.402   14.464  842.402   14.464 0.000000 0.000000 
1 1 1   14    0   11 o  576.388   7.2311  899.093   31.828  899.093   31.828  899.093   31.828  576.388   10.226  576.388   10.226 0.000000 0.000000 
1 1 1   14    0   12 o  207.329   3.8883  116.409   6.1508  116.409   6.1508  116.409   6.1508  207.329   5.4989  207.329   5.4989 0.000000 0.000000 
1 1 1   14    0   14 o  224.188   3.8878  136.068   6.6517  136.068   6.6517  136.068   6.6517  224.188   5.4982  224.188   5.4982 0.000000 0.000000 
1 1 1   14    0   15 f  840.287   10.211  1912.08   65.528  1912.08   65.528  1912.08   65.528  840.287   14.441  840.287   14.441 0.000000 0.000000 
1 1 1   14    0   16 o  535.537   6.8062  776.106   27.834  776.106   27.834  776.106   27.834  535.537   9.6255  535.537   9.6255 0.000000 0.000000 
1 1 1   14    0   19 o  224.913   5.4983  137.207   9.4247  137.207   9.4247  137.207   9.4247  224.913   7.7758  224.913   7.7758 0.000000 0.000000 
1 1 1   14    0   20 o  743.099   9.1282  1494.56   51.801  1494.56   51.801  1494.56   51.801  743.099   12.909  743.099   12.909 0.000000 0.000000 
1 1 1   14    0   22 o  1328.26   15.853  4781.11  160.816  4781.11  160.816  4781.11  160.816  1328.26   22.420  1328.26   22.420 0.000000 0.000000 
1 1 1   14    0   23 o   21.072   9.3413   0.6160   3.1191   0.6160   3.1191   0.6160   3.1191   21.072   13.211   21.072   13.211 0.000000 0.000000 
1 1 1   14    0   24 o  2498.54   29.689 16998.04  566.516 16998.04  566.516 16998.04  566.516  2498.54   41.987  2498.54   41.987 0.000000 0.000000 
1 1 1   14    0   25 o  862.987   10.484  2015.84   69.097  2015.84   69.097  2015.84   69.097  862.987   14.827  862.987   14.827 0.000000 0.000000 
1 1 1   14    0   26 o  391.290   5.4129  414.252   16.172  414.252   16.172  414.252   16.172  391.290   7.6549  391.290   7.6549 0.000000 0.000000 
1 1 1   14    0   27 o  347.370   5.0312  326.503   13.343  326.503   13.343  326.503   13.343  347.370   7.1153  347.370   7.1153 0.000000 0.000000 
1 1 1   14    0   28 o  532.142   6.8432  766.181   27.808  766.181   27.808  766.181   27.808  532.142   9.6778  532.142   9.6778 0.000000 0.000000 
1 1 1   14    0   29 o  718.518   8.8700  1397.29   48.670  1397.29   48.670  1397.29   48.670  718.518   12.544  718.518   12.544 0.000000 0.000000 
1 1 1   14    0   30 o  717.305   8.8709  1392.74   48.593  1392.74   48.593  1392.74   48.593  717.305   12.545  717.305   12.545 0.000000 0.000000 
1 1 1   14    0   31 o  405.121   5.6574  444.121   17.499  444.121   17.499  444.121   17.499  405.121   8.0007  405.121   8.0007 0.000000 0.000000 
1 1 1   14    0   32 o  842.944   10.300  1924.01   66.305  1924.01   66.305  1924.01   66.305  842.944   14.566  842.944   14.566 0.000000 0.000000 
1 1 1   14    0   33 o  420.582   5.8664  478.708   18.838  478.708   18.838  478.708   18.838  420.582   8.2963  420.582   8.2963 0.000000 0.000000 
1 1 1   14    0   34 o  1421.07   16.988  5482.68  184.369  5482.68  184.369  5482.68  184.369  1421.07   24.025  1421.07   24.025 0.000000 0.000000 
1 1 1   14    0   35 o  504.208   6.6636  688.108   25.655  688.108   25.655  688.108   25.655  504.208   9.4238  504.208   9.4238 0.000000 0.000000 
1 1 1   14    0   36 o  471.926   6.3626  602.830   22.927  602.830   22.927  602.830   22.927  471.926   8.9980  471.926   8.9980 0.000000 0.000000 
1 1 1   14    0   37 o  191.487   5.1714   99.557   7.5424   99.557   7.5424   99.557   7.5424  191.487   7.3134  191.487   7.3134 0.000000 0.000000 
1 1 1   14    0   38 o  473.883   6.3983  608.041   23.152  608.041   23.152  608.041   23.152  473.883   9.0485  473.883   9.0485 0.000000 0.000000 
1 1 1   14    0   39 o  229.631   4.9318  142.959   8.6364  142.959   8.6364  142.959   8.6364  229.631   6.9747  229.631   6.9747 0.000000 0.000000 
1 1 1   14    0   40 f  257.024   4.9523  179.023   9.7109  179.023   9.7109  179.023   9.7109  257.024   7.0037  257.024   7.0037 0.000000 0.000000 
1 1 1   14    0   41 o  189.419   7.0475   97.928   10.137   97.928   10.137   97.928   10.137  189.419   9.9667  189.419   9.9667 0.000000 0.000000 
1 1 1   14    0   44 o  352.281   7.8892  337.613   21.190  337.613   21.190  337.613   21.190  352.281   11.157  352.281   11.157 0.000000 0.000000 
1 1 1   14    0   45 o   65.896   12.410   14.047   5.3995   14.047   5.3995   14.047   5.3995   65.896   17.550   65.896   17.550 0.000000 0.000000 
1 1 1   14    0   46 o   67.574   12.616   14.754   5.6285   14.754   5.6285   14.754   5.6285   67.574   17.841   67.574   17.841 0.000000 0.000000 
1 1 1   14    0   47 f  320.802   5.2257  279.188   12.796  279.188   12.796  279.188   12.796  320.802   7.3903  320.802   7.3903 0.000000 0.000000 
1 1 1   14    0   48 o  415.203   5.9373  467.974   18.821  467.974   18.821  467.974   18.821  415.203   8.3966  415.203   8.3966 0.000000 0.000000 
1 1 1   14    0   49 o  364.199   5.5439  360.106   15.414  360.106   15.414  360.106   15.414  364.199   7.8403  364.199   7.8403 0.000000 0.000000 
1 1 1   14    0   50 o   31.904   13.158   3.4293   5.3193   3.4293   5.3193   3.4293   5.3193   31.904   18.608   31.904   18.608 0.000000 0.000000 
1 1 1   14    0   51 o  116.387   6.9118   37.613   6.0478   37.613   6.0478   37.613   6.0478  116.387   9.7748  116.387   9.7748 0.000000 0.000000 
1 1 1   14    0   52 o  258.202   5.0865  181.319   10.019  181.319   10.019  181.319   10.019  258.202   7.1934  258.202   7.1934 0.000000 0.000000 
1 1 1   14    0   53 o   56.855   14.548   11.883   5.8004   11.883   5.8004   11.883   5.8004   56.855   20.575   56.855   20.575 0.000000 0.000000 
1 1 1   14    0   54 f  138.856   6.3492   53.181   6.6727   53.181   6.6727   53.181   6.6727  138.856   8.9792  138.856   8.9792 0.000000 0.000000 
1 1 1   14    0   55 o   54.852   14.948   11.448   5.9390   11.448   5.9390   11.448   5.9390   54.852   21.139   54.852   21.139 0.000000 0.000000 
1 1 1   14    0   56 o   79.220   11.703   19.473   6.2438   19.473   6.2438   19.473   6.2438   79.220   16.551   79.220   16.551 0.000000 0.000000 
1 1 1   14    0   57 o   90.296   9.8103   24.050   6.2943   24.050   6.2943   24.050   6.2943   90.296   13.874   90.296   13.874 0.000000 0.000000 
1 1 1   14    0   58 o   39.847   14.818   6.6918   5.9827   6.6918   5.9827   6.6918   5.9827   39.847   20.956   39.847   20.956 0.000000 0.000000 
1 1 1   14    0   59 o   73.950   13.016   17.870   6.3650   17.870   6.3650   17.870   6.3650   73.950   18.408   73.950   18.408 0.000000 0.000000 
1 1 1   14    0   60 o  108.064   8.7215   33.563   6.9598   33.563   6.9598   33.563   6.9598  108.064   12.334  108.064   12.334 0.000000 0.000000 
1 1 1   14    0   61 o  236.028   5.7413  153.262   10.328  153.262   10.328  153.262   10.328  236.028   8.1194  236.028   8.1194 0.000000 0.000000 
1 1 1   14    0   63 o  168.806   7.0716   79.719   9.0491   79.719   9.0491   79.719   9.0491  168.806   10.001  168.806   10.001 0.000000 0.000000 
1 1 1   14    0   64 o   26.371   12.622  -2.2451   7.5208  -2.2451   7.5208  -2.2451   7.5208   26.371   17.850   26.371   17.850 0.000000 0.000000 
1 1 1   14    0   65 o   39.288   15.996   7.0909   7.7068   7.0909   7.7068   7.0909   7.7068   39.288   22.622   39.288   22.622 0.000000 0.000000 
1 1 1   14    1    0 o  650.774   8.0311  1145.67   28.239  1134.40   39.587  1157.35   40.294  647.519   11.314  654.029   11.401 -6.509766 16.06223 
1 1 1   14    1    1 o  352.212   4.8387  335.334   9.2089  336.342   13.087  334.345   12.960  352.736   6.8660  351.689   6.8198 1.047516 9.677419 
1 1 1   14    1    2 o  202.158   3.6135  110.387   3.9457  112.502   5.6809  108.416   5.4845  204.027   5.1527  200.289   5.0675 3.738388 7.227057 
1 1 1   14    1    3 o  461.893   5.9559  576.576   14.859  587.176   21.381  566.674   20.666  465.994   8.4910  457.792   8.3542 8.201752 11.91170 
1 1 1   14    1    4 o  176.180   3.4847   83.882   3.3156   83.996   4.7719   83.776   4.6103  176.295   5.0091  176.065   4.8458 0.2299194 6.969477 
1 1 1   14    1    5 o  359.095   4.9064  348.583   9.5201  349.583   13.534  347.604   13.394  359.604   6.9647  358.586   6.9125 1.018036 9.812789 
1 1 1   14    1    6 o  247.970   3.9228  165.895   5.2508  172.671   7.6438  159.840   7.2254  252.756   5.5965  243.185   5.4984 9.571106 7.845613 
1 1 1   14    1    7 o  529.891   6.6950  759.409   19.169  763.783   27.263  755.131   26.958  531.399   9.4945  528.383   9.4418 3.015320 13.39004 
1 1 1   14    1    8 o  224.520   5.3610  136.246   6.5041   0.0000   0.0000  136.246   6.5041  ?   ?   224.520   5.3610      ?      ? 
1 1 1   14    1    9 o  246.371   3.9732  163.795   5.2849  170.767   7.6699  157.493   7.2924  251.354   5.6470  241.388   5.5907 9.965393 7.946335 
1 1 1   14    1   10 o  709.074   8.7046  1361.10   33.352  1365.42   47.351  1356.86   46.983  710.185   12.339  707.962   12.281 2.223389 17.40910 
1 1 1   14    1   11 o  295.428   4.4118  235.855   7.0414  239.792   10.085  232.109   9.8362  297.832   6.2661  293.023   6.2121 4.808472 8.823530 
1 1 1   14    1   12 o  478.735   6.1912  619.910   16.016  619.761   22.649  620.059   22.651  478.677   8.7564  478.792   8.7550 -0.1149292 12.38246 
1 1 1   14    1   13 o  285.314   4.2714  219.906   6.5751  217.434   9.0266  222.700   9.5969  283.611   5.8899  287.017   6.1878 -3.406036 8.542838 
1 1 1   14    1   14 o  507.710   6.4814  697.006   17.774  688.822   24.712  705.777   25.582  504.630   9.0626  510.789   9.2684 -6.159180 12.96276 
1 1 1   14    1   15 o  507.243   6.4855  695.833   17.772  691.067   24.808  700.857   25.470  505.465   9.0828  509.022   9.2600 -3.556885 12.97091 
1 1 1   14    1   17 o  393.147   5.3364  417.872   11.333  416.649   15.808  419.166   16.255  392.559   7.4523  393.735   7.6402 -1.176819 10.67283 
1 1 1   14    1   19 o  732.590   10.950  1461.73   41.243  1480.35   51.180  1427.25   69.652  739.570   12.806  725.609   17.764 13.96094 21.89914 
1 1 1   14    1   20 o  357.752   6.0497  344.798   11.012  342.354   13.446  349.775   19.190  355.878   6.9918  359.625   9.8748 -3.747406 12.09945 
1 1 1   14    1   21 o  476.880   6.1938  614.876   15.961  613.355   22.537  616.407   22.607  476.288   8.7567  477.472   8.7621 -1.183167 12.38769 
1 1 1   14    1   22 o  885.388   10.716  2120.97   51.245  2084.63   71.198  2160.01   73.815  877.541   15.015  893.235   15.293 -15.69312 21.43155 
1 1 1   14    1   23 o  528.802   6.7411  755.961   19.261  763.141   27.455  749.003   27.028  531.273   9.5634  526.331   9.5031 4.941956 13.48218 
1 1 1   14    1   24 o  195.819   4.0523  103.625   4.2861  107.700   6.0944   99.637   6.0292  199.629   5.6496  192.010   5.8110 7.619568 8.104630 
1 1 1   14    1   25 o  1332.65   15.919  4816.81  114.590  4741.59  159.365  4897.33  164.885  1321.94   22.310  1343.37   22.714 -21.42957 31.83806 
1 1 1   14    1   26 o  411.300   5.5845  456.323   12.392  440.559   16.960  474.379   18.151  403.699   7.7747  418.901   8.0188 -15.20181 11.16906 
1 1 1   14    1   27 o  1323.25   15.810  4751.51  113.041  4721.37  158.811  4782.46  160.939  1319.02   22.281  1327.48   22.436 -8.464478 31.62003 
1 1 1   14    1   28 o  478.291   6.2801  618.385   16.228  611.474   22.683  625.631   23.227  475.556   8.8268  481.026   8.9358 -5.469269 12.56028 
1 1 1   14    1   29 o  847.297   10.321  1944.01   47.254  1942.69   66.745  1945.34   66.910  847.010   14.583  847.584   14.609 -0.5734863 20.64180 
1 1 1   14    1   30 o  721.526   8.9156  1409.24   34.761  1410.89   49.185  1407.60   49.133  721.947   12.608  721.105   12.609 0.8419189 17.83122 
1 1 1   14    1   31 o  842.574   10.284  1922.81   46.820  1936.49   66.652  1909.49   65.783  845.526   14.588  839.623   14.499 5.903381 20.56778 
1 1 1   14    1   32 o  730.793   9.0408  1445.53   35.696  1463.12   51.032  1428.67   49.950  735.139   12.846  726.447   12.724 8.692444 18.08161 
1 1 1   14    1   33 o  1060.63   12.798  3052.97   73.350  3064.65  104.112  3041.46  103.357  1062.63   18.131  1058.62   18.068 4.012085 25.59677 
1 1 1   14    1   34 o  138.657   6.0748   52.096   4.5424   54.078   6.3073   49.959   6.5471  141.409   8.2543  135.906   8.9151 5.503128 12.14954 
1 1 1   14    1   35 o  593.570   7.5765  953.570   24.298  965.655   34.729  941.982   34.007  597.248   10.761  589.891   10.669 7.356140 15.15306 
1 1 1   14    1   36 o  553.355   7.1740  828.626   21.446  819.615   29.940  838.121   30.734  550.274   10.069  556.436   10.222 -6.161987 14.34804 
1 1 1   14    1   37 o  534.029   6.9799  772.117   20.142  772.689   28.471  771.544   28.499  534.228   9.8625  533.830   9.8797 0.3980713 13.95983 
1 1 1   14    1   38 o  316.842   5.1502  271.605   8.8176  273.541   12.490  269.682   12.450  317.968   7.2690  315.716   7.2979 2.252289 10.30039 
1 1 1   14    1   39 o  197.206   5.0699  105.212   5.4022  104.079   7.5817  106.380   7.6995  196.129   7.1538  198.283   7.1860 -2.154160 10.13980 
1 1 1   14    1   40 f  336.646   6.3340  308.165   11.073  302.703   18.322  311.308   13.898  334.163   10.147  339.128   7.5839 -4.964630 12.66793 
1 1 1   14    1   41 o  320.657   7.2233  278.908   12.495  278.378   17.169  279.504   18.218  320.371   9.9173  320.943   10.505 -0.5721436 14.44658 
1 1 1   14    1   42 o   35.760   16.246  -4.0721   6.8417  -4.0721   6.8417   0.0000   0.0000   35.760   16.246  ?   ?       ?      ? 
1 1 1   14    1   43 o   45.344   12.643  -4.0654   5.6354   9.9257   8.3621 -15.7072   7.6278   61.977   20.981   28.710   14.114 33.26676 25.28652 
1 1 1   14    1   44 o  490.268   9.3912  656.397   24.862  662.612   35.912  650.676   34.454  492.408   13.497  488.128   13.062 4.280243 18.78232 
1 1 1   14    1   45 o  267.157   6.2586  189.221   8.3165  205.586   15.356  182.429   9.8928  274.888   10.338  259.426   7.0570 15.46249 12.51715 
1 1 1   14    1   46 o  123.301   6.4647   41.336   4.3069   40.682   6.0547   42.007   6.1278  122.312   9.1609  124.290   9.1239 -1.978355 12.92931 
1 1 1   14    1   47 o  513.018   6.8481  717.191   18.984  717.541   26.841  716.841   26.854  513.145   9.6799  512.890   9.6894 0.2548828 13.69617 
1 1 1   14    1   48 o  223.527   5.0289  135.695   6.0733  137.828   8.5653  133.537   8.6129  225.306   7.0353  221.747   7.1879 3.558853 10.05790 
1 1 1   14    1   49 o  248.739   5.0325  168.135   6.7635  170.561   9.5544  165.699   9.5756  250.549   7.0571  246.928   7.1764 3.621078 10.06492 
1 1 1   14    1   50 o  234.096   4.9951  148.686   6.3108  139.992   8.6883  158.395   9.1817  226.865   7.0873  241.326   7.0409 -14.46094 9.990214 
1 1 1   14    1   51 o  178.949   5.3146   87.211   5.1367   90.933   7.3232   83.606   7.2071  182.726   7.4167  175.172   7.6139 7.553940 10.62917 
1 1 1   14    1   52 o   99.955   7.8988   28.039   4.1808   33.210   5.7910   22.410   6.0420  109.996   9.7429   89.914   12.435 20.08224 15.79763 
1 1 1   14    1   53 o  186.583   5.3034   95.024   5.3450   91.362   7.4975   98.810   7.6219  182.906   7.5858  190.261   7.4135 -7.355392 10.60682 
1 1 1   14    1   54 o  149.090   5.9874   60.970   4.8217   63.323   6.8552   58.667   6.7831  151.968   8.3479  146.212   8.5854 5.755890 11.97484 
1 1 1   14    1   55 o   75.774   10.421   16.810   4.1582   9.2054   5.7184   25.343   6.0573   56.178   17.213   95.370   11.754 -39.19215 20.84283 
1 1 1   14    1   56 o  114.596   7.3515   36.431   4.5506   37.704   6.5373   35.234   6.3383  116.542   10.381  112.650   10.412 3.891457 14.70304 
1 1 1   14    1   57 o  109.573   7.7494   33.779   4.5516   30.010   6.5771   37.243   6.3054  103.388   11.773  115.758   10.080 -12.36993 15.49875 
1 1 1   14    1   58 o   56.869   12.377   9.5989   4.3317   6.2668   6.2592   12.662   6.0008   49.180   18.017   64.559   16.976 -15.37903 24.75488 
1 1 1   14    1   59 o   47.128   12.626   5.3940   4.4314   4.5682   6.3965   6.1563   6.1451   45.728   17.870   48.528   17.841 -2.800240 25.25179 
1 1 1   14    1   60 o  258.794   5.5127  184.895   7.7076  180.403   10.886  189.411   10.915  255.581   7.8823  262.008   7.7091 -6.426819 11.02541 
1 1 1   14    1   61 o  155.018   6.9547   67.782   5.7847   57.966   8.0560   78.230   8.3116  143.026   10.424  167.010   9.2099 -23.98389 13.90943 
1 1 1   14    1   62 o  135.108   8.6675   52.465   6.1823   39.326   8.5252   67.038   8.9786  116.336   13.561  153.880   10.798 -37.54395 17.33498 
1 1 1   14    1   63 o   32.633   11.039  -8.2519   5.5370  -6.1088   7.7611 -10.4735   7.9019   34.107   16.100   31.159   15.107 2.948776 22.07752 
1 1 1   14    1   64 o  113.647   9.7589   39.375   5.8002   49.757   8.2131   29.047   8.1923  130.494   11.647   96.801   15.662 33.69241 19.51787 
1 1 1   14    1   65 o  103.070   10.039   32.746   5.5907   32.675   7.8579   32.820   7.9559  103.030   14.114  103.110   14.279 -0.8014679E-01 20.07734 
1 1 1   14    2    0 o  251.389   5.5845  170.805   7.5861   0.0000   0.0000  170.805   7.5861  ?   ?   251.389   5.5845      ?      ? 
1 1 1   14    2    1 o  474.310   6.1097  608.273   15.658  612.481   22.331  604.203   21.960  475.922   8.6833  472.699   8.5973 3.223297 12.21940 
1 1 1   14    2    2 o  580.847   7.2593  912.629   22.785  911.097   32.216  914.162   32.229  580.359   10.273  581.336   10.260 -0.9762573 14.51867 
1 1 1   14    2    3 o  582.421   10.273  917.594   32.332   0.0000   0.0000  917.594   32.332  ?   ?   582.421   10.273      ?      ? 
1 1 1   14    2    4 o  560.799   7.0369  849.862   21.308  870.508   30.872  831.079   29.446  567.289   10.071  554.308   9.8308 12.98114 14.07379 
1 1 1   14    2    6 o  356.306   4.9019  343.142   9.4360  346.251   13.502  340.174   13.193  357.882   6.9818  354.731   6.8824 3.151459 9.803762 
1 1 1   14    2    7 o  142.392   4.8966   54.797   3.7676   0.0000   0.0000   54.797   3.7676  ?   ?   142.392   4.8966      ?      ? 
1 1 1   14    2    8 o  516.729   6.5675  722.150   18.337  717.039   25.805  727.363   26.063  514.883   9.2750  518.575   9.3007 -3.692017 13.13503 
1 1 1   14    2    9 o  483.698   6.2205  632.664   16.257  626.202   22.800  639.347   23.188  481.187   8.7686  486.208   8.8256 -5.021301 12.44106 
1 1 1   14    2   10 o  147.692   5.1043   58.955   4.0736   0.0000   0.0000   58.955   4.0736  ?   ?   147.692   5.1043      ?      ? 
1 1 1   14    2   11 o  159.511   5.2689   68.771   4.5415   0.0000   0.0000   68.771   4.5415  ?   ?   159.511   5.2689      ?      ? 
1 1 1   14    2   12 o  227.346   5.5890  139.711   6.8660   0.0000   0.0000  139.711   6.8660  ?   ?   227.346   5.5890      ?      ? 
1 1 1   14    2   13 o  582.002   7.2830  916.504   22.899  912.090   32.013  921.130   32.770  580.575   10.204  583.429   10.394 -2.853333 14.56602 
1 1 1   14    2   14 o  666.843   8.2346  1203.12   29.657  1186.57   41.173  1220.96   42.755  662.094   11.508  671.593   11.781 -9.499084 16.46928 
1 1 1   14    2   15 f  532.044   6.7529  765.744   19.411  766.333   27.204  765.134   27.705  532.258   9.4585  531.830   9.6406 0.4287109 13.50570 
1 1 1   14    2   16 o  223.800   3.9554  135.626   4.7226  136.960   6.2193  133.810   7.2576  225.110   5.1128  222.491   6.0366 2.618973 7.910888 
1 1 1   14    2   17 o  585.317   10.532  926.896   33.312   0.0000   0.0000  926.896   33.312  ?   ?   585.317   10.532      ?      ? 
1 1 1   14    2   19 o  586.271   8.9210  935.331   26.931  913.063   45.339  947.471   33.477  580.698   14.449  591.843   10.468 -11.14490 17.84205 
1 1 1   14    2   20 o  682.041   10.273  1258.91   35.705  1257.73   43.736  1261.26   61.826  681.802   11.871  682.279   16.770 -0.4771118 20.54617 
1 1 1   14    2   21 o  790.297   11.812  1685.07   47.295  1672.52   57.515  1711.26   83.110  786.121   13.540  794.473   19.359 -8.351379 23.62403 
1 1 1   14    2   22 o  594.380   7.4493  954.993   23.918  940.243   33.306  970.701   34.369  589.648   10.453  599.113   10.616 -9.465759 14.89860 
1 1 1   14    2   23 o  267.758   4.2786  193.626   6.1860  190.478   8.5571  197.073   8.9531  265.481   5.9649  270.036   6.1357 -4.554779 8.557295 
1 1 1   14    2   24 o  715.262   8.7908  1383.86   33.975  1375.37   47.719  1392.59   48.383  713.040   12.385  717.483   12.479 -4.443604 17.58168 
1 1 1   14    2   25 o  1021.73   12.296  2827.84   67.885  2836.00   96.262  2819.77   95.746  1023.19   17.411  1020.27   17.367 2.924805 24.59136 
1 1 1   14    2   26 f  898.316   10.881  2184.55   52.813  2204.31   75.322  2165.44   74.071  902.304   15.448  894.328   15.327 7.976135 21.76175 
1 1 1   14    2   27 o  523.601   6.7328  741.311   19.049  745.664   27.008  737.002   26.872  525.131   9.5177  522.072   9.5255 3.058960 13.46558 
1 1 1   14    2   28 o  627.187   7.8593  1063.90   26.632  1054.87   37.305  1073.28   38.033  624.478   11.055  629.896   11.174 -5.418152 15.71854 
1 1 1   14    2   29 o  273.725   4.5890  202.310   6.7807  198.001   9.3425  207.106   9.8568  270.651   6.3880  276.800   6.5899 -6.149506 9.177918 
1 1 1   14    2   30 o  171.465   4.6984   79.275   4.3449   76.390   5.9270   82.626   6.3882  168.104   6.5248  174.827   6.7621 -6.723053 9.396773 
1 1 1   14    2   31 o  570.624   7.3031  880.182   22.508  902.161   32.457  859.823   31.239  577.476   10.401  563.773   10.254 13.70288 14.60621 
1 1 1   14    2   32 o  1025.50   12.393  2852.11   68.668  2832.96   96.367  2871.87   97.874  1022.02   17.449  1028.98   17.602 -6.959167 24.78569 
1 1 1   14    2   33 o  851.147   10.403  1963.18   47.846  1965.15   67.697  1961.21   67.633  851.574   14.712  850.720   14.712 0.8538818 20.80587 
1 1 1   14    2   34 o  387.800   5.6182  406.266   11.767  419.975   16.985  393.615   16.316  394.082   7.9761  381.518   7.9144 12.56491 11.23631 
1 1 1   14    2   35 o   69.049   10.688   13.284   3.8979   9.9457   5.2952   17.233   5.7591   59.550   16.079   78.547   14.086 -18.99707 21.37643 
1 1 1   14    2   36 o  352.130   5.3744  335.312   10.225  341.304   14.559  329.479   14.365  355.234   7.5847  349.025   7.6164 6.209503 10.74882 
1 1 1   14    2   37 o  281.296   5.0041  212.999   7.5879  232.576   11.174  196.245   10.337  293.234   7.0518  269.358   7.1018 23.87683 10.00815 
1 1 1   14    2   38 o  463.379   7.6178  581.527   18.113  583.108   30.927  580.702   22.346  463.638   12.345  463.120   8.9294 0.5177307 15.23560 
1 1 1   14    2   39 o  459.092   8.7775  571.742   21.760  566.667   30.160  577.252   31.425  457.000   12.213  461.184   12.610 -4.184418 17.55494 
1 1 1   14    2   40 o  218.729   6.8161  129.375   8.0127  127.027   10.743  132.320   12.030  216.528   9.1813  220.930   10.077 -4.402084 13.63214 
1 1 1   14    2   41 o  482.249   7.9620  635.267   19.677  643.567   24.336  619.594   33.441  487.222   9.2436  477.276   12.966 9.946564 15.92394 
1 1 1   14    2   42 o   89.453   8.2193   21.730   3.9691   21.290   5.4726   22.219   5.7651   88.506   11.443   90.400   11.802 -1.893837 16.43857 
1 1 1   14    2   43 o  206.263   6.1273  117.346   6.4275  121.454   7.9346  109.505   10.962  211.750   6.9345  200.776   10.104 10.97365 12.25462 
1 1 1   14    2   44 o  159.180   8.3200   67.677   7.0815   79.595   11.015   59.279   9.2456  170.866   11.930  147.493   11.601 23.37303 16.63991 
1 1 1   14    2   45 o  147.143   8.4778   58.475   6.6997   64.302   10.186   54.032   8.8948  153.507   12.279  140.780   11.693 12.72723 16.95562 
1 1 1   14    2   46 o  523.806   8.6636  744.496   22.785  765.315   40.805  735.064   27.465  527.975   14.302  519.637   9.7812 8.337891 17.32717 
1 1 1   14    2   47 o  136.482   6.2615   50.685   4.6142   50.500   6.3925   50.888   6.6669  136.240   8.6832  136.724   9.0238 -0.4845581 12.52308 
1 1 1   14    2   48 o   96.148   10.918   25.276   5.6723   25.276   5.6723   0.0000   0.0000   96.148   10.918  ?   ?       ?      ? 
1 1 1   14    2   49 o  268.368   5.0644  195.736   7.3441  196.321   10.417  195.158   10.355  268.765   7.1729  267.972   7.1513 0.7926025 10.12874 
1 1 1   14    2   50 o  129.122   6.3506   45.370   4.4157   40.378   6.0644   51.004   6.4423  121.550   9.2331  136.695   8.7217 -15.14517 12.70111 
1 1 1   14    2   51 o   59.946   11.760   10.417   3.9623   11.648   5.5707   9.1555   5.6369   63.265   16.219   56.626   17.034 6.639801 23.52074 
1 1 1   14    2   52 o  101.270   7.7740   28.232   4.2121   23.215   5.8007   33.829   6.1263   91.628   11.715  110.912   10.222 -19.28363 15.54797 
1 1 1   14    2   53 o  160.659   5.6809   70.587   4.9317   70.318   6.9923   70.852   6.9568  160.346   8.0700  160.971   7.9978 -0.6249695 11.36177 
1 1 1   14    2   54 o  213.648   5.1996  124.715   6.0011  128.944   8.5739  120.653   8.4023  217.214   7.3047  210.083   7.4015 7.130905 10.39911 
1 1 1   14    2   55 o  194.786   5.3601  103.775   5.6394  101.201   7.8341  106.543   8.1244  192.295   7.5393  197.278   7.6212 -4.983032 10.72026 
1 1 1   14    2   56 o  118.877   7.0041   39.143   4.4990   39.615   6.3917   38.680   6.3338  119.591   9.8908  118.163   9.9197 1.427559 14.00811 
1 1 1   14    2   57 o  156.884   5.9882   67.845   5.0724   64.251   7.1134   71.563   7.2350  152.598   8.6266  161.169   8.3075 -8.570999 11.97635 
1 1 1   14    2   58 o  151.431   6.2416   63.470   5.1002   60.300   7.2626   66.555   7.1640  147.585   9.1067  155.277   8.5381 -7.691635 12.48326 
1 1 1   14    2   59 o  248.788   5.3323  170.411   7.1674  171.465   10.242  169.400   10.034  249.508   7.5962  248.069   7.4854 1.438950 10.66461 
1 1 1   14    2   60 o  160.578   6.5355   71.750   5.6672   75.441   8.1411   68.281   7.8940  164.628   9.1515  156.529   9.3328 8.099457 13.07104 
1 1 1   14    2   61 o  143.400   7.2251   58.213   5.5741   65.059   7.9631   51.636   7.8051  151.995   9.6953  134.805   10.715 17.18944 14.45018 
1 1 1   14    2   62 o  149.631   10.609   63.272   8.5777   0.0000   0.0000   63.272   8.5777  ?   ?   149.631   10.609      ?      ? 
1 1 1   14    2   63 f   40.476   12.423  -0.2902   5.3429   5.4836   7.5880  -5.9679   7.5245   47.484   19.164   33.467   15.815 14.01706 24.84679 
1 1 1   14    2   64 o   93.834   11.436   27.754   5.6340   24.593   7.9790   30.898   7.9563   86.865   17.602  100.803   14.607 -13.93822 22.87284 
1 1 1   14    2   65 o  111.033   9.5717   37.644   5.7386   38.124   8.2923   37.202   7.9498  111.495   13.764  110.570   13.305 0.9243317 19.14340 
1 1 1   14    3    0 o  479.699   8.7280  622.255   22.624   0.0000   0.0000  622.255   22.624  ?   ?   479.699   8.7280      ?      ? 
1 1 1   14    3    1 o  1107.38   13.280  3326.49   79.467  3322.73  112.276  3330.26  112.491  1106.75   18.774  1108.00   18.788 -1.251221 26.56038 
1 1 1   14    3    2 o  162.260   4.9920   71.155   4.3770   0.0000   0.0000   71.155   4.3770  ?   ?   162.260   4.9920      ?      ? 
1 1 1   14    3    3 o  287.065   4.3025  222.574   6.6697  227.208   9.6432  218.325   9.2347  289.926   6.1553  284.205   6.0132 5.720856 8.604967 
1 1 1   14    3    4 f  168.748   3.6339   76.983   3.3120   76.186   4.7448   77.740   4.6251  167.896   5.2298  169.601   5.0467 -1.705688 7.267781 
1 1 1   14    3    5 f  618.094   10.858  1033.67   36.266   0.0000   0.0000  1033.67   36.266  ?   ?   618.094   10.858      ?      ? 
1 1 1   14    3    6 o  134.630   3.5744   49.045   2.5953   47.930   3.7650   50.055   3.5824  133.169   5.2320  136.092   4.8714 -2.922867 7.148736 
1 1 1   14    3    7 o  106.502   3.7582   30.508   2.1567   32.625   3.2016   28.750   2.9180  109.867   5.3928  103.137   5.2358 6.730423 7.516387 
1 1 1   14    3    9 o  571.394   7.1872  883.327   22.191  880.525   31.369  886.135   31.397  570.486   10.176  572.303   10.153 -1.816162 14.37444 
1 1 1   14    3   10 o  452.156   5.9167  552.884   14.455  554.981   20.575  550.840   20.313  453.001   8.4054  451.312   8.3294 1.689209 11.83337 
1 1 1   14    3   11 o  509.636   8.0700  707.607   21.089  717.766   26.103  688.513   35.788  515.093   9.3781  504.179   13.136 10.91373 16.14009 
1 1 1   14    3   12 o  548.456   8.6179  810.178   23.846  802.534   28.874  826.576   42.291  544.620   9.8114  552.292   14.171 -7.671936 17.23575 
1 1 1   14    3   13 o  762.934   13.257  1576.57   54.654   0.0000   0.0000  1576.57   54.654  ?   ?   762.934   13.257      ?      ? 
1 1 1   14    3   14 o  400.344   7.8153  433.394   16.907   0.0000   0.0000  433.394   16.907  ?   ?   400.344   7.8153      ?      ? 
1 1 1   14    3   15 o  178.112   6.2914   85.757   6.0552   0.0000   0.0000   85.757   6.0552  ?   ?   178.112   6.2914      ?      ? 
1 1 1   14    3   17 o  902.868   15.529  2208.64   75.763   0.0000   0.0000  2208.64   75.763  ?   ?   902.868   15.529      ?      ? 
1 1 1   14    3   18 o  463.780   6.1004  580.660   15.251  568.796   20.765  594.556   22.473  458.655   8.3785  468.905   8.8692 -10.24976 12.20090 
1 1 1   14    3   19 o  1022.73   15.154  2826.49   78.392  2876.13  138.227  2802.96   95.178  1028.48   24.872  1016.97   17.320 11.50854 30.30807 
1 1 1   14    3   20 o  308.711   5.4107  251.432   8.4729  275.450   15.114  240.424   10.232  319.176   8.7633  298.246   6.3488 20.92969 10.82137 
1 1 1   14    3   21 o  910.626   13.499  2243.10   62.466  2234.20   76.251  2261.26  108.924  908.380   15.534  912.872   22.081 -4.491638 26.99809 
1 1 1   14    3   22 o  823.547   10.020  1835.22   44.586  1821.20   62.520  1849.74   63.601  820.352   14.104  826.743   14.237 -6.390747 20.03988 
1 1 1   14    3   23 f  793.906   9.6922  1704.06   41.554  1669.10   57.555  1742.12   60.056  785.420   13.561  802.393   13.851 -16.97247 19.38433 
1 1 1   14    3   24 o  327.781   6.8398  290.399   12.115   0.0000   0.0000  290.399   12.115  ?   ?   327.781   6.8398      ?      ? 
1 1 1   14    3   25 o  558.971   7.0987  844.757   21.438  836.697   29.982  853.189   30.665  556.246   9.9748  561.695   10.103 -5.449219 14.19743 
1 1 1   14    3   26 o  470.970   6.1908  599.642   15.753  595.997   22.075  603.424   22.488  469.514   8.7008  472.426   8.8092 -2.912537 12.38168 
1 1 1   14    3   27 o  506.783   6.5711  694.401   17.993  691.239   25.250  697.665   25.647  505.613   9.2417  507.953   9.3439 -2.340424 13.14224 
1 1 1   14    3   28 o  587.336   7.4408  933.024   23.614  930.145   33.244  935.956   33.550  586.424   10.491  588.249   10.555 -1.824890 14.88152 
1 1 1   14    3   29 o  1017.76   12.286  2808.04   67.564  2797.60   95.148  2818.67   95.958  1015.86   17.333  1019.66   17.415 -3.802246 24.57109 
1 1 1   14    3   30 o  564.295   7.2265  861.287   22.033  872.914   31.419  850.035   30.907  568.041   10.236  560.549   10.204 7.491394 14.45294 
1 1 1   14    3   31 o  810.586   9.9355  1779.18   43.514  1765.85   60.999  1793.00   62.091  807.504   13.979  813.668   14.122 -6.163269 19.87091 
1 1 1   14    3   32 o  333.392   5.1665  300.490   9.3028  299.646   12.941  301.394   13.382  332.911   7.1937  333.873   7.4176 -0.9625854 10.33301 
1 1 1   14    3   33 o  258.389   4.8731  180.643   6.7982  184.908   9.4941  176.156   9.7389  261.526   6.7182  255.253   7.0608 6.272873 9.746181 
1 1 1   14    3   34 f  395.046   5.6648  420.175   12.063  449.560   17.837  395.405   16.376  407.714   8.0960  382.377   7.9254 25.33707 11.32951 
1 1 1   14    3   35 o  640.922   8.0981  1112.44   28.045  1108.96   39.465  1115.99   39.862  639.914   11.413  641.930   11.492 -2.016052 16.19621 
1 1 1   14    3   36 o  433.638   6.0437  504.010   14.078  552.102   21.375  467.162   18.710  451.724   8.7567  415.553   8.3322 36.17105 12.08737 
1 1 1   14    3   37 o  153.322   7.3835   63.832   6.0721   65.045   8.1524   62.320   9.1002  154.988   9.7342  151.656   11.105 3.332047 14.76705 
1 1 1   14    3   38 o  650.092   11.566  1149.88   40.628  1162.16   57.739  1137.84   57.179  653.531   16.350  646.652   16.364 6.879272 23.13206 
1 1 1   14    3   39 o   41.138   11.990  -0.8638   4.8876   5.2568   6.3450  -9.7950   7.6647   49.283   18.127   32.992   15.698 16.29034 23.97990 
1 1 1   14    3   40 o  370.414   5.5131  370.932   11.027  387.740   15.961  355.584   15.251  378.428   7.8050  362.399   7.7882 16.02979 11.02610 
1 1 1   14    3   41 o  389.723   5.6614  411.428   11.921  410.196   16.720  412.701   17.001  389.137   7.9515  390.309   8.0610 -1.172363 11.32285 
1 1 1   14    3   42 o   80.874   8.9701   17.795   3.9094   17.688   5.3289   17.921   5.7529   80.631   12.231   81.117   13.125 -0.4864883 17.94014 
1 1 1   14    3   43 o  230.820   4.9824  144.393   6.2123  147.154   8.7295  141.560   8.8427  233.067   6.9314  228.574   7.1593 4.493652 9.964893 
1 1 1   14    3   44 o  227.187   6.1089  139.107   7.0194  137.277   8.5122  142.995   12.409  225.055   6.9995  229.319   10.014 -4.263672 12.21775 
1 1 1   14    3   45 o  482.006   9.3834  635.148   24.438  625.225   34.391  645.270   34.734  478.186   13.309  485.825   13.231 -7.638763 18.76686 
1 1 1   14    3   46 o  398.364   8.3653  433.697   17.997  432.883   25.878  434.459   25.045  397.923   12.035  398.805   11.622 -0.8815918 16.73057 
1 1 1   14    3   47 o   49.925   12.051   6.2594   3.9649   4.3578   5.5523   8.2381   5.6637   45.179   16.892   54.670   17.193 -9.491367 24.10296 
1 1 1   14    3   48 o  187.263   5.2993   95.327   5.3586   96.414   7.4644   94.171   7.6973  188.387   7.3325  186.138   7.6527 2.248810 10.59861 
1 1 1   14    3   49 o  147.293   5.9909   59.245   4.7577   61.981   6.6199   56.322   6.8423  150.869   8.1201  143.717   8.8106 7.151733 11.98180 
1 1 1   14    3   50 o   86.806   9.4606   21.676   4.1920   26.861   5.8241   16.103   6.0386   98.907   10.897   74.705   15.468 24.20229 18.92124 
1 1 1   14    3   51 o  153.457   5.8072   64.271   4.8106   68.134   6.8487   60.509   6.7585  158.044   8.0194  148.869   8.4015 9.174911 11.61449 
1 1 1   14    3   52 o   68.448   10.693   13.834   4.1770   21.945   5.8665   5.4944   5.9488   88.970   12.203   47.925   17.564 41.04494 21.38659 
1 1 1   14    3   53 o  126.737   6.8497   44.290   4.6777   47.228   6.5430   41.218   6.6900  131.150   9.2326  122.324   10.121 8.825462 13.69946 
1 1 1   14    3   54 o  189.223   5.4510   97.801   5.5649   90.446   7.6985  105.851   8.0533  181.745   7.8389  196.701   7.5767 -14.95564 10.90208 
1 1 1   14    3   55 f  220.501   5.2579  132.839   6.2600  139.220   9.0585  127.006   8.6608  225.562   7.4320  215.439   7.4395 10.12379 10.51575 
1 1 1   14    3   56 o  190.165   5.5735   99.298   5.7269   98.827   8.1353   99.761   8.0631  189.696   7.9365  190.633   7.8274 -0.9367065 11.14704 
1 1 1   14    3   57 o  222.164   5.4437  135.650   6.5326  135.548   9.3665  135.745   9.1157  222.030   7.8069  222.298   7.5887 -0.2677460 10.88738 
1 1 1   14    3   58 o   55.282   12.555   8.4010   4.5388   13.442   6.5768   3.8173   6.2716   66.257   17.932   44.308   17.577 21.94865 25.11003 
1 1 1   14    3   59 o   68.827   12.598   14.720   4.7661   17.233   6.7307   12.193   6.7498   74.971   17.005   62.683   18.592 12.28822 25.19558 
1 1 1   14    3   60 o  145.508   7.2403   59.875   5.6322   68.776   7.9068   50.706   8.0249  157.040   9.3175  133.976   11.085 23.06406 14.48057 
1 1 1   14    3   61 o  196.490   6.2420  107.745   6.6212  103.009   9.1293  113.000   9.6172  191.963   8.8010  201.016   8.8538 -9.052811 12.48393 
1 1 1   14    3   62 o  242.716   8.4530  163.792   11.087  163.792   11.087   0.0000   0.0000  242.716   8.4530  ?   ?       ?      ? 
1 1 1   14    3   63 o   82.664   12.620   22.460   5.6150   17.000   7.8615   28.146   8.0227   69.982   19.865   95.346   15.571 -25.36388 25.24029 
1 1 1   14    3   64 o   96.597   10.883   28.940   5.5333   26.824   7.9099   30.967   7.7433   91.822   16.551  101.372   14.136 -9.549942 21.76559 
1 1 1   14    3   65 o  146.913   7.5733   63.392   5.9895   58.901   8.5966   67.629   8.3497  141.238   11.264  152.588   10.127 -11.35037 15.14668 
1 1 1   14    4    0 f  671.392   11.716  1219.85   42.504   0.0000   0.0000  1219.85   42.504  ?   ?   671.392   11.716      ?      ? 
1 1 1   14    4    1 o  146.283   5.5732   57.837   4.4054   57.837   4.4054   0.0000   0.0000  146.283   5.5732  ?   ?       ?      ? 
1 1 1   14    4    2 o  367.013   5.0761  364.127   10.066  365.797   14.370  362.518   14.103  367.838   7.2297  366.189   7.1273 1.648865 10.15215 
1 1 1   14    4    3 o  106.301   4.0493   30.179   2.3121   34.430   3.5001   26.888   3.0797  112.864   5.7390   99.738   5.7142 13.12596 8.098662 
1 1 1   14    4    4 o  236.754   5.5928  151.502   7.1551   0.0000   0.0000  151.502   7.1551  ?   ?   236.754   5.5928      ?      ? 
1 1 1   14    4    7 o  955.977   16.331  2477.67   84.363   0.0000   0.0000  2477.67   84.363  ?   ?   955.977   16.331      ?      ? 
1 1 1   14    4    8 o  653.771   8.1131  1156.74   28.660  1148.07   40.301  1165.61   40.767  651.295   11.451  656.246   11.496 -4.951355 16.22625 
1 1 1   14    4    9 o  429.800   5.7166  499.354   13.274  489.313   18.545  509.903   19.008  425.372   8.0680  434.228   8.1009 -8.855804 11.43316 
1 1 1   14    4   10 o  343.369   4.8911  318.786   9.0746  317.154   12.880  320.395   12.788  342.495   6.9593  344.243   6.8745 -1.748444 9.782111 
1 1 1   14    4   11 o  116.632   6.4688   38.249   3.2121   39.213   3.5977   34.459   7.1311  120.445   5.5277  112.820   11.697 7.624573 12.93758 
1 1 1   14    4   12 o  686.091   10.453  1283.70   36.869  1302.06   45.768  1249.78   62.226  693.461   12.214  678.722   16.967 14.73920 20.90558 
1 1 1   14    4   15 f  429.889   8.3289  499.759   19.348   0.0000   0.0000  499.759   19.348  ?   ?   429.889   8.3289      ?      ? 
1 1 1   14    4   16 o  610.816   10.943  1009.50   36.119   0.0000   0.0000  1009.50   36.119  ?   ?   610.816   10.943      ?      ? 
1 1 1   14    4   18 o  928.611   16.027  2336.05   80.419   0.0000   0.0000  2336.05   80.419  ?   ?   928.611   16.027      ?      ? 
1 1 1   14    4   19 o  519.747   9.5254  731.181   26.752  729.279   37.712  733.108   37.956  519.068   13.445  520.425   13.497 -1.357117 19.05084 
1 1 1   14    4   20 o  1182.82   17.322  3839.99  106.173  3659.91  175.038  3944.81  133.547  1159.68   27.932  1205.97   20.493 -46.29773 34.64370 
1 1 1   14    4   21 o  1172.27   14.066  3725.14   89.097  3708.23  125.421  3742.37  126.592  1169.59   19.845  1174.94   19.939 -5.353027 28.13154 
1 1 1   14    4   22 o  701.481   10.565  1329.59   37.750  1325.15   46.190  1338.51   65.509  699.924   12.213  703.037   17.244 -3.114014 21.13048 
1 1 1   14    4   23 o  615.299   7.6984  1022.43   25.571  1054.64   37.180  993.530   35.225  624.473   11.018  606.125   10.755 18.34766 15.39683 
1 1 1   14    4   24 o  389.935   5.3787  411.000   11.333  415.551   16.073  406.501   15.982  392.082   7.5864  387.788   7.6268 4.294067 10.75741 
1 1 1   14    4   25 o  1205.45   14.439  3940.41   94.054  3945.86  133.176  3935.00  132.850  1206.28   20.431  1204.63   20.409 1.656860 28.87820 
1 1 1   14    4   26 o  251.231   6.3348  170.592   8.5999   0.0000   0.0000  170.592   8.5999  ?   ?   251.231   6.3348      ?      ? 
1 1 1   14    4   27 o  406.630   5.5965  447.016   12.296  448.776   17.322  445.228   17.458  407.438   7.8679  405.821   7.9611 1.616547 11.19300 
1 1 1   14    4   28 o  807.576   9.8774  1764.94   43.091  1792.92   61.846  1738.55   60.073  813.782   14.064  801.371   13.873 12.41150 19.75487 
1 1 1   14    4   29 o  679.727   8.4637  1249.77   31.076  1273.89   44.690  1227.18   43.241  686.066   12.055  673.387   11.884 12.67889 16.92732 
1 1 1   14    4   30 o  884.348   10.768  2117.64   51.431  2159.80   74.115  2078.49   71.428  892.810   15.362  875.886   15.092 16.92334 21.53511 
1 1 1   14    4   31 o  637.692   8.0282  1100.40   27.664  1104.81   39.193  1096.02   39.053  638.964   11.351  636.419   11.356 2.545410 16.05641 
1 1 1   14    4   32 o  741.218   9.1736  1485.73   36.706  1531.63   53.386  1444.57   50.549  752.040   13.137  730.396   12.808 21.64392 18.34717 
1 1 1   14    4   33 o  433.574   6.0090  508.060   14.073  521.644   20.240  495.345   19.581  439.179   8.5286  427.968   8.4673 11.21103 12.01796 
1 1 1   14    4   34 o  504.652   8.0946  681.091   20.708  713.739   36.622  665.747   25.107  513.259   13.204  496.045   9.3666 17.21356 16.18912 
1 1 1   14    4   35 o  656.511   11.596  1165.68   41.027  1229.73   60.810  1112.16   55.583  672.937   16.723  640.085   16.070 32.85175 23.19274 
1 1 1   14    4   36 o  124.428   8.2027   42.408   5.4269   50.946   7.6603   33.806   7.6892  137.175   10.334  111.682   12.741 25.49265 16.40546 
1 1 1   14    4   37 o  337.936   7.1749  309.380   13.100  311.487   18.384  307.207   18.670  339.114   10.033  336.758   10.260 2.356781 14.34983 
1 1 1   14    4   38 o  408.270   5.8415  451.212   12.886  453.722   18.154  448.663   18.295  409.420   8.2057  407.121   8.3160 2.298889 11.68293 
1 1 1   14    4   39 o  405.717   5.8017  445.531   12.718  453.844   18.153  437.519   17.823  409.432   8.2051  402.001   8.2046 7.431183 11.60338 
1 1 1   14    4   40 o  362.308   5.4630  354.991   10.689  370.171   15.434  341.003   14.817  369.741   7.7251  354.875   7.7266 14.86624 10.92602 
1 1 1   14    4   41 o  301.178   5.1204  245.456   8.3298  255.230   11.945  236.204   11.622  307.014   7.2004  295.342   7.2820 11.67206 10.24075 
1 1 1   14    4   42 o   50.978   11.889   6.7781   3.7939   6.3596   5.1890   7.2588   5.5612   49.559   16.528   52.397   17.093 -2.837780 23.77730 
1 1 1   14    4   43 o  134.053   6.1704   48.943   4.4533   51.799   6.1668   45.831   6.4378  138.185   8.2587  129.922   9.1700 8.263336 12.34079 
1 1 1   14    4   44 o  203.846   5.0601  112.596   5.5667  120.516   7.9626  105.024   7.7855  210.870   6.9879  196.821   7.3203 14.04945 10.12020 
1 1 1   14    4   45 o  325.861   7.7219  287.960   13.547  304.730   20.230  274.324   18.241  334.352   11.197  317.370   10.637 16.98212 15.44380 
1 1 1   14    4   46 o  405.602   8.5152  444.086   18.472  490.540   28.707  411.261   24.131  423.250   12.552  387.953   11.511 35.29742 17.03048 
1 1 1   14    4   47 o  286.496   6.6222  210.918   9.1937  252.703   18.110  196.411   10.671  304.063   11.022  268.928   7.3431 35.13556 13.24445 
1 1 1   14    4   48 o  200.382   5.1853  109.108   5.6135  109.638   7.8713  108.559   8.0079  200.890   7.2510  199.874   7.4144 1.016235 10.37068 
1 1 1   14    4   49 o  138.419   6.2095   52.151   4.6391   49.083   6.3992   55.549   6.7351  134.131   8.8290  142.707   8.7340 -8.575714 12.41907 
1 1 1   14    4   50 o  127.414   6.5566   44.236   4.5056   40.828   6.1826   48.095   6.5796  122.183   9.3643  132.644   9.1796 -10.46085 13.11316 
1 1 1   14    4   51 o  136.896   6.3190   51.165   4.6699   49.134   6.4352   53.423   6.7875  134.042   8.8844  139.751   8.9881 -5.708496 12.63803 
1 1 1   14    4   52 o  208.979   5.1995  118.966   5.8650  115.509   8.0663  122.844   8.5429  205.789   7.2537  212.168   7.4514 -6.378525 10.39904 
1 1 1   14    4   53 o  257.674   5.1885  181.310   7.2223  182.712   10.115  179.852   10.316  258.727   7.2347  256.620   7.4393 2.107117 10.37707 
1 1 1   14    4   54 o  147.801   6.0670   60.030   4.8360   60.742   6.6588   59.235   7.0351  148.811   8.2808  146.792   8.8691 2.019348 12.13395 
1 1 1   14    4   55 o   58.091   9.7858   7.3547   4.3000   20.548   6.1122  -5.5739   6.0505   85.448   13.238   30.734   14.416 54.71407 19.57158 
1 1 1   14    4   56 o  152.321   6.5882   64.171   5.4198   65.718   7.6081   62.577   7.7226  154.255   9.1274  150.387   9.5032 3.868744 13.17650 
1 1 1   14    4   57 o  144.699   7.0606   58.238   5.5207   57.989   7.8083   58.488   7.8066  144.380   10.008  145.019   9.9620 -0.6384277 14.12120 
1 1 1   14    4   58 o  206.426   5.7759  117.359   6.4405  120.492   9.2592  114.423   8.9645  209.079   8.1955  203.773   8.1412 5.306686 11.55185 
1 1 1   14    4   59 o  150.600   9.5586   63.234   7.7787   0.0000   0.0000   63.234   7.7787  ?   ?   150.600   9.5586      ?      ? 
1 1 1   14    4   60 o   77.561   12.714   18.812   5.2713   14.677   7.2586   23.426   7.6676   67.827   19.030   87.295   16.865 -19.46721 25.42805 
1 1 1   14    4   61 o  125.394   8.6816   45.022   5.8663   41.733   7.9515   48.950   8.6898  120.434   12.218  130.355   12.337 -9.921333 17.36321 
1 1 1   14    4   62 o  204.303   8.8806  116.430   9.8041  116.430   9.8041   0.0000   0.0000  204.303   8.8806  ?   ?       ?      ? 
1 1 1   14    4   63 o  122.777   8.5727   44.684   5.6822   45.243   7.9065   44.087   8.1716  123.844   11.815  121.710   12.425 2.134430 17.14536 
1 1 1   14    4   64 o   41.530   12.604   1.6432   5.2146  -1.7949   7.5033   4.8549   7.2522   37.308   16.974   45.752   18.637 -8.443790 25.20838 
1 1 1   14    4   65 o   35.807   11.684  -2.4486   5.2945  -0.4963   7.5276  -4.3599   7.4481   37.822   17.127   33.792   15.896 4.030956 23.36716 
1 1 1   14    5    0 o  307.513   4.5945  255.536   7.6310  258.472   10.988  252.800   10.606  309.217   6.5759  305.809   6.4183 3.407928 9.188993 
1 1 1   14    5    1 o  367.607   5.1327  365.297   10.195  359.820   14.326  370.917   14.511  364.815   7.2674  370.398   7.2501 -5.583221 10.26543 
1 1 1   14    5    3 f  111.993   4.2606   34.074   2.5594   32.290   3.7997   35.555   3.4628  109.293   6.4338  114.693   5.5873 -5.399773 8.521233 
1 1 1   14    5    5 o  376.252   5.2319  382.771   10.637  380.550   15.081  384.969   15.004  375.165   7.4393  377.339   7.3584 -2.174713 10.46372 
1 1 1   14    5    7 f  561.973   7.1402  853.454   21.666  829.964   29.931  879.310   31.403  553.867   10.001  570.079   10.194 -16.21259 14.28047 
1 1 1   14    5    9 o  381.853   7.4656  394.281   15.405   0.0000   0.0000  394.281   15.405  ?   ?   381.853   7.4656      ?      ? 
1 1 1   14    5   10 o   33.081   7.2466   3.0158   1.4350   1.9826   2.4299   3.5692   1.7783   30.508   11.218   35.655   9.1762 -5.146423 14.49328 
1 1 1   14    5   12 o  982.508   23.938  2628.38  127.091   0.0000   0.0000  2628.38  127.091  ?   ?   982.508   23.938      ?      ? 
1 1 1   14    5   15 o  456.564   8.7467  563.724   21.579   0.0000   0.0000  563.724   21.579  ?   ?   456.564   8.7467      ?      ? 
1 1 1   14    5   17 o  767.987   13.435  1596.56   55.756   0.0000   0.0000  1596.56   55.756  ?   ?   767.987   13.435      ?      ? 
1 1 1   14    5   18 o  596.014   10.817  960.920   34.838   0.0000   0.0000  960.920   34.838  ?   ?   596.014   10.817      ?      ? 
1 1 1   14    5   19 f  302.062   6.7829  246.734   11.071  246.396   15.643  247.072   15.671  301.855   9.5903  302.268   9.5946 -0.4134521 13.56581 
1 1 1   14    5   20 o  910.797   15.637  2246.06   76.959   0.0000   0.0000  2246.06   76.959  ?   ?   910.797   15.637      ?      ? 
1 1 1   14    5   21 o  557.909   8.6297  834.857   24.361  862.162   43.096  822.035   29.531  564.444   14.130  551.374   9.9117 13.06952 17.25940 
1 1 1   14    5   22 o  1009.18   14.835  2777.81   77.106  2817.69   95.919  2704.96  129.630  1020.02   17.403  998.338   24.029 21.67743 29.66908 
1 1 1   14    5   23 o  631.904   9.5792  1084.59   31.115  1093.95   38.558  1067.12   52.685  635.979   11.220  627.829   15.529 8.150696 19.15839 
1 1 1   14    5   24 o  386.423   5.3731  402.488   11.201  423.884   16.430  383.909   15.310  395.989   7.6783  376.858   7.5184 19.13065 10.74628 
1 1 1   14    5   25 o  747.826   9.1958  1512.35   37.143  1541.10   53.513  1485.62   51.596  754.670   13.122  740.981   12.886 13.68915 18.39153 
1 1 1   14    5   26 o  590.761   7.4849  943.336   23.883  961.588   34.398  926.348   33.186  596.270   10.676  585.253   10.494 11.01764 14.96974 
1 1 1   14    5   27 o  908.320   11.022  2234.26   54.098  2249.25   76.987  2219.64   76.033  911.322   15.633  905.318   15.542 6.004700 22.04472 
1 1 1   14    5   28 o  168.819   4.5758   76.989   4.1690   76.130   5.7393   77.950   6.0660  167.823   6.3288  169.814   6.6106 -1.991302 9.151697 
1 1 1   14    5   29 o  1085.41   13.092  3195.82   76.776  3225.05  109.693  3167.76  107.496  1090.25   18.619  1080.57   18.410 9.675537 26.18405 
1 1 1   14    5   30 o  497.022   6.5715  667.892   17.645  678.250   25.288  658.063   24.633  500.773   9.3452  493.270   9.2416 7.503052 13.14304 
1 1 1   14    5   31 o  255.108   6.7482  175.938   9.3024   0.0000   0.0000  175.938   9.3024  ?   ?   255.108   6.7482      ?      ? 
1 1 1   14    5   32 o  739.728   11.202  1471.88   41.920  1516.67   74.128  1450.83   50.828  747.499   18.352  731.956   12.851 15.54272 22.40404 
1 1 1   14    5   33 o  1138.55   19.444  3528.33  119.306  3693.69  176.648  3389.64  161.779  1162.73   28.115  1114.38   26.866 48.34595 38.88757 
1 1 1   14    5   34 o  695.829   12.189  1312.03   45.759  1364.86   67.056  1265.99   62.599  708.853   17.506  682.805   16.966 26.04767 24.37865 
1 1 1   14    5   35 o  397.190   6.7872  433.344   14.139  456.453   18.227  398.423   22.406  410.775   8.2114  383.605   10.809 27.16983 13.57437 
1 1 1   14    5   36 o  587.521   10.639  934.913   33.777  934.913   33.777   0.0000   0.0000  587.521   10.639  ?   ?       ?      ? 
1 1 1   14    5   37 o  250.004   4.8990  169.080   6.6162  174.841   9.3979  163.419   9.3160  254.231   6.8409  245.778   7.0145 8.452499 9.798038 
1 1 1   14    5   38 o  547.886   7.1436  812.568   21.136  835.104   30.562  791.907   29.262  555.147   10.188  540.625   10.017 14.52246 14.28729 
1 1 1   14    5   39 o  307.731   5.0826  256.302   8.4511  259.866   11.946  252.731   11.957  309.877   7.1342  305.586   7.2413 4.290894 10.16527 
1 1 1   14    5   40 o  321.504   5.1859  279.808   9.0076  287.832   12.827  272.001   12.652  326.055   7.2801  316.952   7.3874 9.103241 10.37174 
1 1 1   14    5   41 o  255.266   4.9108  176.426   6.7715  182.696   9.6221  170.273   9.5312  259.766   6.8548  250.765   7.0338 9.001007 9.821589 
1 1 1   14    5   42 o  173.644   5.2823   81.617   4.9539   78.656   6.8820   84.801   7.1368  170.379   7.4750  176.910   7.4655 -6.531372 10.56456 
1 1 1   14    5   43 o  170.778   5.4119   79.380   4.9675   88.674   7.0173   70.045   7.0329  180.872   7.1798  160.684   8.0998 20.18803 10.82385 
1 1 1   14    5   44 o  156.647   5.6706   66.706   4.7895   69.284   6.6450   63.919   6.9096  159.829   7.6940  153.466   8.3321 6.363098 11.34112 
1 1 1   14    5   45 o  227.377   6.3440  139.151   7.1979  136.976   8.6238  144.144   13.069  224.734   7.1014  230.020   10.514 -5.286072 12.68795 
1 1 1   14    5   46 o  152.048   9.4514   63.341   7.7034   74.752   11.197   53.086   10.615  165.169   12.545  138.927   14.140 26.24216 18.90284 
1 1 1   14    5   47 o  175.163   8.5682   84.537   8.0651   76.667   11.622   91.847   11.201  167.098   12.871  183.228   11.313 -16.13002 17.13648 
1 1 1   14    5   48 o  214.855   5.1329  125.128   5.9518  132.718   8.6739  118.376   8.1820  220.995   7.2635  208.715   7.2547 12.28085 10.26586 
1 1 1   14    5   49 o  226.367   5.0966  139.418   6.2328  142.092   8.7887  136.714   8.8407  228.570   7.1157  224.164   7.2985 4.405563 10.19316 
1 1 1   14    5   50 o  242.143   5.1402  159.599   6.7254  161.674   9.5602  157.566   9.4630  243.704   7.2596  240.582   7.2791 3.121475 10.28044 
1 1 1   14    5   51 o  254.850   5.1520  176.721   7.0888  186.940   10.233  167.290   9.8299  261.940   7.2293  247.759   7.3423 14.18130 10.30393 
1 1 1   14    5   52 o  184.480   5.4812   93.194   5.4501   99.345   7.6365   86.808   7.7806  190.787   7.4072  178.173   8.0814 12.61465 10.96248 
1 1 1   14    5   53 o  267.984   5.1804  196.135   7.4965  206.127   10.684  186.446   10.521  274.757   7.1963  261.212   7.4538 13.54572 10.36075 
1 1 1   14    5   54 o  110.685   7.5964   34.089   4.5174   38.004   6.3670   30.120   6.4102  117.286   10.046  104.085   11.397 13.20047 15.19282 
1 1 1   14    5   55 o  172.176   5.7783   81.040   5.3556   71.788   7.3298   91.636   7.8444  161.605   8.3936  182.747   7.9437 -21.14146 11.55660 
1 1 1   14    5   56 o  135.938   6.6491   51.197   4.8693   56.076   6.9219   46.416   6.8511  142.496   8.9895  129.380   9.7996 13.11664 13.29825 
1 1 1   14    5   57 o  170.094   5.9941   79.799   5.4896   89.120   7.8945   71.071   7.6387  179.853   8.1231  160.335   8.8167 19.51785 11.98827 
1 1 1   14    5   58 o   79.457   11.108   19.156   4.6523   11.512   6.5464   26.955   6.6129   61.387   18.333   97.528   12.548 -36.14154 22.21566 
1 1 1   14    5   59 o  205.772   5.8051  117.048   6.4521  121.867   9.2335  112.449   9.0197  209.950   8.1388  201.594   8.2799 8.355774 11.61023 
1 1 1   14    5   60 o  158.321   6.7860   70.275   5.7987   68.531   7.9742   72.232   8.4473  156.336   9.4393  160.306   9.7517 -3.969803 13.57192 
1 1 1   14    5   61 o   74.231   11.207   17.845   5.5294   33.298   7.4920  -0.6423   8.1947  107.298   12.922   41.163   18.313 66.13532 22.41300 
1 1 1   14    5   62 o  150.029   8.0832   66.469   6.2615   83.791   8.6072   46.997   9.1258  172.949   9.2099  127.109   13.286 45.83980 16.16631 
1 1 1   14    5   63 o  137.129   8.0038   55.197   5.9276   52.836   8.3072   57.646   8.4608  133.992   11.473  140.265   11.163 -6.273621 16.00768 
1 1 1   14    5   64 o   31.978   10.773  -7.6240   5.2014  -2.9417   7.4690 -12.0330   7.2478   35.853   16.543   28.104   13.804 7.749352 21.54572 
1 1 1   14    6    0 o  338.277   6.9074  309.363   12.626   0.0000   0.0000  309.363   12.626  ?   ?   338.277   6.9074      ?      ? 
1 1 1   14    6    1 o  565.752   7.1879  864.806   21.950  888.910   31.956  843.273   30.203  573.194   10.317  558.309   10.011 14.88556 14.37579 
1 1 1   14    6    3 o  610.542   7.7046  1008.72   25.419  1005.71   35.962  1011.74   35.933  609.627   10.917  611.456   10.875 -1.828796 15.40921 
1 1 1   14    6    4 o  245.694   4.3161  163.073   5.7231  165.207   8.3275  161.163   7.8785  247.214   6.2338  244.174   5.9712 3.039734 8.632205 
1 1 1   14    6    5 o  550.014   7.0246  817.703   20.861  836.158   30.241  800.948   28.814  555.919   10.067  544.108   9.8000 11.81061 14.04918 
1 1 1   14    6    6 o  273.941   4.5084  202.889   6.6700  202.385   9.5891  203.362   9.2839  273.609   6.4857  274.274   6.2641 -0.6647034 9.016835 
1 1 1   14    6    8 o  351.253   5.0796  333.492   9.6397  326.145   13.496  341.145   13.774  347.305   7.1911  355.202   7.1760 -7.897217 10.15912 
1 1 1   14    6   11 o  410.623   5.6411  455.376   12.503  467.552   18.197  444.488   17.209  415.811   8.0988  405.436   7.8548 10.37491 11.28220 
1 1 1   14    6   12 o  484.013   7.7222  628.638   19.139  650.450   33.076  617.659   23.466  490.156   12.488  477.871   9.0874 12.28516 15.44449 
1 1 1   14    6   13 f  478.635   8.9458  619.602   23.137   0.0000   0.0000  619.602   23.137  ?   ?   478.635   8.9458      ?      ? 
1 1 1   14    6   14 o  307.714   6.6927  255.969   11.128   0.0000   0.0000  255.969   11.128  ?   ?   307.714   6.6927      ?      ? 
1 1 1   14    6   15 o  211.379   5.7682  120.765   6.5885   0.0000   0.0000  120.765   6.5885  ?   ?   211.379   5.7682      ?      ? 
1 1 1   14    6   16 o  489.888   8.9668  648.956   23.737   0.0000   0.0000  648.956   23.737  ?   ?   489.888   8.9668      ?      ? 
1 1 1   14    6   17 o  539.321   9.7566  786.635   28.434   0.0000   0.0000  786.635   28.434  ?   ?   539.321   9.7566      ?      ? 
1 1 1   14    6   18 o  549.743   9.8852  817.302   29.365   0.0000   0.0000  817.302   29.365  ?   ?   549.743   9.8852      ?      ? 
1 1 1   14    6   19 o  254.705   5.1445  171.790   5.6670  181.351   12.832  169.473   6.3164  258.983   9.1693  250.426   4.6676 8.556702 10.28895 
1 1 1   14    6   20 o  760.203   9.3292  1563.09   38.313  1584.77   54.946  1542.57   53.450  765.325   13.286  755.081   13.100 10.24347 18.65830 
1 1 1   14    6   21 o  337.983   5.8455  311.420   10.262  299.099   16.871  318.656   12.930  332.606   9.3870  343.361   6.9686 -10.75458 11.69090 
1 1 1   14    6   22 o  351.712   5.9777  340.519   11.120  297.973   16.908  372.954   14.763  331.972   9.4253  371.452   7.3549 -39.47995 11.95535 
1 1 1   14    6   23 o  800.971   11.975  1729.73   48.673  1714.73   59.266  1760.81   85.312  795.996   13.779  805.946   19.589 -9.949341 23.94970 
1 1 1   14    6   24 o  517.121   8.0861  723.102   21.496  722.575   26.576  724.099   36.556  516.940   9.5141  517.302   13.077 -0.3622437 16.17210 
1 1 1   14    6   25 o  461.918   8.6848  576.872   21.678   0.0000   0.0000  576.872   21.678  ?   ?   461.918   8.6848      ?      ? 
1 1 1   14    6   26 o  1146.32   13.772  3563.07   85.309  3567.21  120.791  3558.95  120.499  1146.98   19.489  1145.66   19.464 1.324341 27.54411 
1 1 1   14    6   27 f  351.784   5.1785  334.547   9.8440  334.081   13.927  335.011   13.916  351.539   7.3314  352.029   7.3156 -0.4893188 10.35707 
1 1 1   14    6   28 o  658.229   11.656  1172.51   41.459   0.0000   0.0000  1172.51   41.459  ?   ?   658.229   11.656      ?      ? 
1 1 1   14    6   29 o  744.082   11.295  1475.31   41.976  1566.22   76.547  1436.21   50.197  759.787   18.644  728.377   12.754 31.40985 22.58910 
1 1 1   14    6   30 f  181.334   5.8315   88.218   5.6887  100.473   8.4506   78.063   7.6928  192.762   8.1129  169.906   8.3789 22.85631 11.66302 
1 1 1   14    6   31 o  913.904   15.703  2255.31   77.094  2418.92  116.872  2129.28  102.576  942.830   22.940  884.979   21.450 57.85083 31.40585 
1 1 1   14    6   32 o  227.855   6.1445  139.854   7.5491  128.671   10.328  152.680   11.061  218.114   8.7630  237.597   8.6156 -19.48349 12.28895 
1 1 1   14    6   33 o  658.278   10.021  1183.74   34.152  1207.81   42.821  1141.67   56.616  667.859   11.865  648.696   16.151 19.16272 20.04120 
1 1 1   14    6   34 o  295.310   5.0338  235.619   8.0276  247.564   11.534  224.396   11.180  302.565   7.0546  288.055   7.1825 14.50986 10.06752 
1 1 1   14    6   35 o  645.958   8.1717  1129.96   28.519  1145.76   40.803  1114.88   39.876  650.362   11.610  641.554   11.503 8.807678 16.34348 
1 1 1   14    6   36 o  671.892   8.4677  1223.97   30.743  1229.61   43.610  1218.40   43.345  673.429   11.984  670.355   11.966 3.073914 16.93537 
1 1 1   14    6   37 o  137.764   6.1225   51.822   4.5164   58.272   6.2822   44.922   6.4976  146.735   7.9230  128.793   9.3363 17.94237 12.24502 
1 1 1   14    6   38 o  735.441   9.1625  1466.66   36.376  1511.12   52.893  1426.76   50.107  745.956   13.122  724.926   12.791 21.02942 18.32497 
1 1 1   14    6   39 o  518.324   6.8620  728.310   19.219  728.997   27.095  727.614   27.266  518.576   9.6691  518.072   9.7395 0.5045776 13.72407 
1 1 1   14    6   40 f  195.521   5.0869  103.525   5.3735  104.624   7.5550  102.400   7.6442  196.576   7.1124  194.465   7.2745 2.110336 10.17371 
1 1 1   14    6   41 f  345.155   5.3259  322.732   9.9334  322.460   14.037  323.004   14.059  345.010   7.5293  345.300   7.5347 -0.2901306 10.65184 
1 1 1   14    6   42 o  161.117   5.4689   70.445   4.7451   77.932   6.7649   63.194   6.6575  169.577   7.3826  152.658   8.0706 16.91910 10.93784 
1 1 1   14    6   43 o   51.245   11.670   6.8595   3.7709   9.2821   5.3472   4.4627   5.3186   57.417   16.412   45.073   16.594 12.34403 23.33931 
1 1 1   14    6   44 o  291.390   5.1436  230.045   8.0951  240.016   11.622  220.650   11.282  297.524   7.2291  285.256   7.3190 12.26746 10.28719 
1 1 1   14    6   45 o  139.314   6.1343   52.930   4.6028   56.532   6.4187   49.117   6.6038  144.251   8.2345  134.378   9.0946 9.873367 12.26861 
1 1 1   14    6   46 o  189.434   8.2049   98.138   8.3960   99.730   12.065   96.644   11.691  190.904   11.696  187.965   11.510 2.938904 16.40984 
1 1 1   14    6   47 o   72.019   15.809   14.404   6.9542   19.279   10.070   9.9595   9.6149   81.117   22.288   62.921   22.426 18.19607 31.61798 
1 1 1   14    6   48 o  126.698   8.6024   40.861   5.4001   52.500   10.355   36.514   6.3288  137.840   13.903  115.556   10.135 22.28370 17.20488 
1 1 1   14    6   49 o  408.095   5.9549  453.783   13.123  468.945   18.982  439.901   18.163  414.593   8.4729  401.596   8.3699 12.99707 11.90984 
1 1 1   14    6   50 o  179.807   5.4981   88.209   5.3359   92.764   7.5304   83.615   7.5619  184.519   7.5525  175.095   7.9922 9.423447 10.99618 
1 1 1   14    6   51 o  232.471   5.1850  147.453   6.5072  154.811   9.2026  140.095   9.2026  238.328   7.1457  226.613   7.5151 11.71454 10.37008 
1 1 1   14    6   52 o   38.280   11.332   1.0926   3.9419   1.8987   5.3192   0.1106   5.8710   39.012   15.934   37.548   16.118 1.463982 22.66460 
1 1 1   14    6   53 o  103.481   7.7438   29.757   4.3147   30.834   5.9300   28.546   6.2898  105.605   10.392  101.358   11.484 4.247032 15.48751 
1 1 1   14    6   54 o  161.572   5.8724   71.739   5.1103   78.857   7.2631   64.760   7.1915  169.634   7.9236  153.511   8.6694 16.12233 11.74486 
1 1 1   14    6   55 o  249.548   5.2596  170.704   7.0894  175.676   10.001  165.680   10.052  253.264   7.3074  245.833   7.5668 7.431015 10.51921 
1 1 1   14    6   56 o   73.089   10.987   16.135   4.3294   22.035   6.0625   9.9938   6.1848   88.310   12.705   57.867   17.929 30.44254 21.97408 
1 1 1   14    6   57 o   97.246   8.9356   26.714   4.6898   25.765   6.4399   27.786   6.8430   95.464   12.484   99.028   12.788 -3.564568 17.87130 
1 1 1   14    6   58 o  188.247   5.8897   97.890   5.9817  105.563   8.5717   90.606   8.3514  195.543   8.1122  180.952   8.5410 14.59177 11.77946 
1 1 1   14    6   59 o   57.028   12.950   9.3670   4.8890   14.712   6.9075   4.0020   6.9205   68.554   18.303   45.502   18.324 23.05127 25.89919 
1 1 1   14    6   60 o   84.569   11.967   22.281   5.2735   21.219   7.2681   23.461   7.6632   82.417   16.888   86.721   16.961 -4.303772 23.93443 
1 1 1   14    6   61 o  110.024   13.242   35.066   7.8729   35.066   7.8729   0.0000   0.0000  110.024   13.242  ?   ?       ?      ? 
1 1 1   14    6   62 o  161.476   7.3321   74.778   6.3331   84.582   8.8370   64.426   9.0807  173.140   9.4453  149.811   11.217 23.32945 14.66429 
1 1 1   14    6   63 f   58.681   14.033   11.791   5.9494   3.5135   9.4146   17.295   7.6765   46.628   20.214   70.734   19.470 -24.10626 28.06529 
1 1 1   14    6   64 o   93.349   14.088   30.587   6.9030   34.730   9.7212   26.374   9.8038  101.635   18.377   85.063   21.359 16.57204 28.17675 
1 1 1   14    7    0 o  498.172   6.5169  671.328   17.543  668.828   24.847  673.813   24.772  497.245   9.2475  499.099   9.1851 -1.853882 13.03385 
1 1 1   14    7    1 o  274.960   4.5306  204.362   6.7295  197.458   9.4616  211.430   9.5734  270.259   6.4788  279.661   6.3350 -9.401855 9.061287 
1 1 1   14    7    2 o  343.483   5.0527  318.748   9.3716  325.311   13.558  312.742   12.969  346.864   7.2333  340.103   7.0567 6.761047 10.10531 
1 1 1   14    7    3 o  114.678   4.9667   35.791   3.0552   33.082   4.4927   38.121   4.1670  110.610   7.5166  118.747   6.4940 -8.137596 9.933399 
1 1 1   14    7    4 o  605.061   7.6625  990.847   25.053  987.448   35.440  994.243   35.420  604.022   10.858  606.101   10.815 -2.079041 15.32497 
1 1 1   14    7    5 o  600.982   7.6019  977.327   24.683  986.612   35.312  968.457   34.514  603.766   10.824  598.199   10.677 5.567017 15.20376 
1 1 1   14    7    6 o  656.541   8.2299  1165.87   29.174  1192.22   42.277  1141.91   40.310  663.600   11.790  649.482   11.486 14.11792 16.45971 
1 1 1   14    7    7 o  677.795   8.4504  1243.76   30.950  1239.42   43.689  1248.13   43.852  676.609   11.949  678.981   11.952 -2.371948 16.90087 
1 1 1   14    7    8 o  259.187   6.2206  181.600   8.7123   0.0000   0.0000  181.600   8.7123  ?   ?   259.187   6.2206      ?      ? 
1 1 1   14    7    9 o  621.558   11.073  1045.52   37.192   0.0000   0.0000  1045.52   37.192  ?   ?   621.558   11.073      ?      ? 
1 1 1   14    7   11 o  285.630   10.119  220.721   15.619   0.0000   0.0000  220.721   15.619  ?   ?   285.630   10.119      ?      ? 
1 1 1   14    7   12 o   96.633   6.6029   26.696   3.2525   31.689   4.2394   19.552   5.0709  108.264   7.2466   85.003   11.040 23.26140 13.20584 
1 1 1   14    7   13 o  227.390   5.2216  139.745   6.4159   0.0000   0.0000  139.745   6.4159  ?   ?   227.390   5.2216      ?      ? 
1 1 1   14    7   14 o  606.043   7.6531  992.976   25.063   0.0000   0.0000  992.976   25.063  ?   ?   606.043   7.6531      ?      ? 
1 1 1   14    7   15 f  582.927   7.4008  918.612   23.312   0.0000   0.0000  918.612   23.312  ?   ?   582.927   7.4008      ?      ? 
1 1 1   14    7   16 o  203.169   5.5912  111.561   6.1383   0.0000   0.0000  111.561   6.1383  ?   ?   203.169   5.5912      ?      ? 
1 1 1   14    7   17 o  1088.43   13.086  3205.98   76.964   0.0000   0.0000  3205.98   76.964  ?   ?   1088.43   13.086      ?      ? 
1 1 1   14    7   18 o  484.527   8.9523  634.740   23.439   0.0000   0.0000  634.740   23.439  ?   ?   484.527   8.9523      ?      ? 
1 1 1   14    7   19 o  450.052   7.1666  507.286   13.627  614.189   32.835  485.043   14.977  476.474   12.753  423.630   6.5427 52.84384 14.33327 
1 1 1   14    7   20 o  807.448   9.8667  1763.76   43.043  1742.70   60.204  1785.79   61.563  802.523   13.883  812.373   14.024 -9.849854 19.73343 
1 1 1   14    7   21 o  722.764   12.614  1413.24   49.264   0.0000   0.0000  1413.24   49.264  ?   ?   722.764   12.614      ?      ? 
1 1 1   14    7   22 o  130.882   5.2417   43.518   3.4169   53.514   6.4502   39.618   4.0287  140.691   8.4844  121.073   6.1578 19.61816 10.48346 
1 1 1   14    7   23 o  384.683   5.4740  398.154   11.340  421.858   16.909  378.783   15.286  395.034   7.9215  374.332   7.5570 20.70181 10.94800 
1 1 1   14    7   24 o  247.196   5.0523  165.965   6.6432  169.917   8.7191  160.495   10.257  250.732   6.4353  243.661   7.7902 7.071487 10.10452 
1 1 1   14    7   25 o  1049.43   15.559  2966.28   82.332  3051.80  146.432  2926.75   99.559  1059.58   25.575  1039.28   17.728 20.30298 31.11859 
1 1 1   14    7   26 o  178.232   5.5402   85.487   5.2991   89.122   8.0465   82.703   7.0416  181.557   8.2018  174.907   7.4504 6.649811 11.08048 
1 1 1   14    7   27 o  170.851   5.6332   78.358   5.1678   83.784   7.8524   74.212   6.8638  176.027   8.2553  165.676   7.6669 10.35114 11.26642 
1 1 1   14    7   28 o  809.781   13.979  1768.54   60.846  1888.74   91.913  1674.78   81.180  833.990   20.395  785.571   19.124 48.41949 27.95874 
1 1 1   14    7   29 f  387.736   7.5306  406.761   15.777  401.802   22.322  411.712   22.302  385.371   10.719  390.102   10.580 -4.730286 15.06114 
1 1 1   14    7   30 o  633.328   9.6956  1089.59   31.609  1096.97   39.217  1075.90   53.402  636.642   11.400  630.014   15.686 6.627930 19.39113 
1 1 1   14    7   31 f  793.998   9.7814  1706.00   41.932  1749.50   60.816  1666.59   57.894  803.609   14.005  784.388   13.659 19.22125 19.56286 
1 1 1   14    7   32 o  543.482   7.0825  799.125   20.798  805.850   29.660  792.620   29.172  545.728   10.058  541.236   9.9745 4.491638 14.16504 
1 1 1   14    7   33 o  440.440   6.1003  524.815   14.519  524.347   20.505  525.286   20.560  440.243   8.6196  440.636   8.6348 -0.3930054 12.20068 
1 1 1   14    7   34 o  543.097   7.0955  797.663   20.810  818.275   30.078  778.737   28.823  549.812   10.124  536.382   9.9442 13.43024 14.19097 
1 1 1   14    7   35 o  832.024   10.237  1878.46   46.010  1906.87   66.037  1851.65   64.140  838.109   14.581  825.940   14.371 12.16827 20.47315 
1 1 1   14    7   36 o  341.986   5.3622  316.461   9.9090  315.200   13.966  317.739   14.061  341.301   7.5726  342.671   7.5938 -1.370209 10.72432 
1 1 1   14    7   37 o  528.426   6.9901  755.614   19.944  778.745   28.919  734.636   27.541  536.114   9.9826  520.738   9.7874 15.37598 13.98016 
1 1 1   14    7   38 o  787.468   9.7560  1685.25   41.504  1709.29   59.501  1662.47   57.921  792.904   13.887  782.033   13.706 10.87109 19.51209 
1 1 1   14    7   39 o  188.407   5.1605   95.939   5.2491  101.359   7.5997   90.994   7.2588  193.488   7.2687  183.325   7.3274 10.16281 10.32108 
1 1 1   14    7   40 o  246.693   5.0139  164.547   6.6787  172.692   9.6570  157.080   9.2466  252.537   7.0767  240.850   7.1047 11.68718 10.02779 
1 1 1   14    7   41 o  241.428   4.9403  157.751   6.4422  164.386   9.2467  151.494   8.9803  246.360   6.9459  236.496   7.0272 9.864227 9.880627 
1 1 1   14    7   42 o  243.169   4.9763  160.263   6.5383  161.270   9.2017  159.237   9.2920  243.947   6.9805  242.392   7.0942 1.554810 9.952600 
1 1 1   14    7   43 o  386.198   5.7044  404.248   11.897  416.096   17.206  393.395   16.467  391.602   8.1311  380.795   8.0029 10.80652 11.40881 
1 1 1   14    7   44 o  239.008   5.0427  154.844   6.5111  159.013   9.3296  150.884   9.0912  242.143   7.1302  235.872   7.1328 6.270935 10.08545 
1 1 1   14    7   45 o  337.766   5.3744  309.575   9.8054  319.432   14.101  300.346   13.644  342.966   7.6085  332.566   7.5926 10.40036 10.74878 
1 1 1   14    7   46 o  209.293   8.3274  120.314   9.3806  131.531   13.201  108.874   13.332  219.324   11.139  199.262   12.382 20.06165 16.65475 
1 1 1   14    7   47 o  194.148   8.5589  102.775   8.9291  119.324   13.164   88.671   12.152  208.637   11.676  179.660   12.518 28.97658 17.11786 
1 1 1   14    7   48 o  211.577   6.7536  120.705   7.0588  126.464   13.072  118.335   8.3868  214.611   11.272  208.542   7.4424 6.069351 13.50722 
1 1 1   14    7   49 o   35.823   10.406  -1.6497   3.7190  -7.7741   5.1588   4.9773   5.3663   25.746   12.414   45.899   16.703 -20.15327 20.81114 
1 1 1   14    7   50 o  114.443   7.0442   35.894   4.3505   33.416   6.0545   38.540   6.2556  110.329   10.155  118.556   9.7647 -8.226997 14.08839 
1 1 1   14    7   51 o  190.842   5.3040   99.381   5.4615  106.873   7.8107   92.214   7.6397  197.928   7.3029  183.755   7.6939 14.17233 10.60796 
1 1 1   14    7   52 o  228.446   5.1330  142.449   6.3336  141.915   8.8202  143.018   9.1005  228.036   7.1579  228.856   7.3589 -0.8196259 10.26592 
1 1 1   14    7   53 f  117.009   7.0715   37.876   4.4564   38.709   6.1026   36.925   6.5229  118.506   9.5298  115.511   10.450 2.994797 14.14310 
1 1 1   14    7   54 o  283.994   5.2635  220.801   8.0743  221.450   11.274  220.118   11.569  284.476   7.3341  283.511   7.5516 0.9651184 10.52694 
1 1 1   14    7   55 o  265.610   5.2819  193.281   7.5755  203.823   10.873  183.337   10.560  272.690   7.3791  258.531   7.5593 14.15833 10.56377 
1 1 1   14    7   56 o   57.915   12.538   10.022   4.2995   9.0129   5.9556   11.120   6.2133   55.255   17.659   60.575   17.803 -5.320122 25.07584 
1 1 1   14    7   57 f  106.418   8.3445   31.861   4.7974   31.265   6.6953   32.489   6.8773  105.414   11.754  107.423   11.848 -2.008919 16.68908 
1 1 1   14    7   58 o  167.315   6.2348   77.669   5.6361   75.784   7.9212   79.601   8.0210  165.232   8.8717  169.397   8.7626 -4.165283 12.46957 
1 1 1   14    7   59 o   64.854   12.596   13.149   4.7091   8.9544   6.6481   17.373   6.6714   54.730   18.707   74.978   16.874 -20.24794 25.19252 
1 1 1   14    7   60 o   88.897   10.890   23.859   5.1006   24.236   6.9842   23.428   7.4666   90.743   14.243   87.051   16.476 3.691292 21.77957 
1 1 1   14    7   61 o  158.736   10.076   70.895   8.6430   70.895   8.6430   0.0000   0.0000  158.736   10.076  ?   ?       ?      ? 
1 1 1   14    7   62 o   53.464   15.298   8.5215   6.8515   7.4617   9.4246   9.7095   9.9780   51.666   21.168   55.262   22.091 -3.596050 30.59589 
1 1 1   14    7   63 o   52.673   15.103   7.7070   6.6873   7.8018   9.0792   7.5946   9.8869   52.469   21.038   52.877   21.675 -0.4085655 30.20580 
1 1 1   14    7   64 o  153.702   8.5843   72.485   6.8069   78.825   8.7467   62.748   10.839  165.062   9.8063  142.342   14.092 22.71982 17.16857 
1 1 1   14    8    0 o  417.427   8.1048  471.237   18.282   0.0000   0.0000  471.237   18.282  ?   ?   417.427   8.1048      ?      ? 
1 1 1   14    8    1 o  804.488   9.8893  1753.48   42.988  1738.04   60.403  1769.33   61.193  800.905   13.957  808.071   14.014 -7.166626 19.77852 
1 1 1   14    8    2 o  773.562   9.5274  1621.05   39.825  1622.20   56.436  1619.90   56.206  773.834   13.496  773.291   13.451 0.5434570 19.05476 
1 1 1   14    8    4 o  441.999   6.0167  527.735   14.356  542.159   20.864  514.765   19.785  447.722   8.6238  436.276   8.3924 11.44601 12.03335 
1 1 1   14    8    5 o  411.776   5.7130  458.233   12.705  466.957   18.338  450.180   17.619  415.538   8.1666  408.013   7.9912 7.525085 11.42595 
1 1 1   14    8    8 o  417.202   8.1902  470.687   18.464   0.0000   0.0000  470.687   18.464  ?   ?   417.202   8.1902      ?      ? 
1 1 1   14    8    9 o  196.906   4.5265  104.537   4.8089  109.766   7.0430   99.971   6.5819  201.506   6.4682  192.307   6.3339 9.198227 9.052926 
1 1 1   14    8   10 o  689.677   10.681  1279.57   37.051  1263.87   44.713  1313.96   66.187  683.324   12.109  696.030   17.598 -12.70612 21.36147 
1 1 1   14    8   11 o  584.899   15.232  926.802   48.142   0.0000   0.0000  926.802   48.142  ?   ?   584.899   15.232      ?      ? 
1 1 1   14    8   12 o  462.239   8.6583  577.758   21.627   0.0000   0.0000  577.758   21.627  ?   ?   462.239   8.6583      ?      ? 
1 1 1   14    8   13 o  435.312   6.8358  512.238   16.080   0.0000   0.0000  512.238   16.080  ?   ?   435.312   6.8358      ?      ? 
1 1 1   14    8   14 o  345.226   7.0976  322.172   13.240   0.0000   0.0000  322.172   13.240  ?   ?   345.226   7.0976      ?      ? 
1 1 1   14    8   15 o  869.291   10.598  2043.93   49.782   0.0000   0.0000  2043.93   49.782  ?   ?   869.291   10.598      ?      ? 
1 1 1   14    8   16 o  886.229   15.297  2126.55   73.254   0.0000   0.0000  2126.55   73.254  ?   ?   886.229   15.297      ?      ? 
1 1 1   14    8   17 o  267.227   4.6576  192.973   6.7255   0.0000   0.0000  192.973   6.7255  ?   ?   267.227   4.6576      ?      ? 
1 1 1   14    8   18 o  388.827   5.5449  408.578   11.650   0.0000   0.0000  408.578   11.650  ?   ?   388.827   5.5449      ?      ? 
1 1 1   14    8   19 o  1160.88   16.271  3602.58   86.232  3756.76  180.540  3557.02   98.152  1175.48   28.423  1146.28   15.846 29.20361 32.54179 
1 1 1   14    8   20 o  1384.81   20.139  5276.81  145.094  4981.98  236.357  5455.10  183.802  1352.07   32.351  1417.56   23.995 -65.48462 40.27807 
1 1 1   14    8   21 o  737.497   11.290  1422.82   40.658  1589.41   78.006  1360.69   47.641  765.809   18.850  709.184   12.432 56.62543 22.58080 
1 1 1   14    8   22 o  369.692   7.2405  369.313   14.456  352.027   20.158  387.613   20.741  360.791   10.340  378.594   10.138 -17.80365 14.48096 
1 1 1   14    8   23 o  1460.82   24.855  5672.68  191.832  5137.39  242.626  6565.31  313.314  1372.42   32.716  1549.22   37.426 -176.8021 49.70992 
1 1 1   14    8   24 o  427.837   8.0587  478.111   18.138  569.369   30.108  426.126   22.724  458.745   12.146  396.930   10.595 61.81448 16.11731 
1 1 1   14    8   25 o  615.702   10.874  1023.72   36.108  980.405   49.244  1074.10   53.104  601.678   15.146  629.726   15.606 -28.04865 21.74728 
1 1 1   14    8   26 o  782.800   11.795  1643.67   46.584  1613.60   56.293  1709.01   82.976  771.991   13.494  793.608   19.349 -21.61676 23.58987 
1 1 1   14    8   27 o  565.715   7.3030  865.652   22.322  855.558   31.299  876.102   31.846  562.361   10.300  569.069   10.356 -6.707703 14.60591 
1 1 1   14    8   28 o  716.258   8.9660  1376.95   34.477  1291.75   45.719  1489.29   52.496  690.833   12.247  741.682   13.098 -50.84833 17.93205 
1 1 1   14    8   29 o  329.851   5.3213  294.202   9.4801  293.428   13.610  294.931   13.213  329.425   7.6456  330.276   7.4033 -0.8508911 10.64250 
1 1 1   14    8   30 o  230.044   4.9710  142.890   6.1726  146.895   8.9853  139.312   8.4941  233.089   7.1338  226.998   6.9248 6.091415 9.942031 
1 1 1   14    8   31 o  600.587   7.7033  976.135   24.998  981.619   35.606  970.806   35.104  602.246   10.941  598.928   10.847 3.317383 15.40651 
1 1 1   14    8   32 o  881.215   10.788  2106.38   51.367  2118.88   73.136  2094.21   72.163  883.783   15.314  878.648   15.199 5.134644 21.57623 
1 1 1   14    8   33 o  364.572   5.5471  358.315   10.903  376.864   16.089  342.561   14.827  373.262   7.9770  355.883   7.7102 17.37970 11.09417 
1 1 1   14    8   34 o  419.738   5.9505  476.526   13.493  483.866   19.364  469.598   18.811  422.875   8.4740  416.602   8.3561 6.272675 11.90097 
1 1 1   14    8   35 f  384.647   5.7172  399.368   11.859  416.164   17.455  384.968   16.162  392.127   8.2377  377.168   7.9301 14.95917 11.43448 
1 1 1   14    8   36 o  357.733   5.5050  345.408   10.626  363.614   15.555  329.481   14.549  366.542   7.8534  348.924   7.7165 17.61728 11.01002 
1 1 1   14    8   37 o  460.672   6.3249  574.154   15.733  590.459   22.797  559.327   21.740  466.899   9.0357  454.446   8.8529 12.45258 12.64977 
1 1 1   14    8   38 o  506.125   6.7726  693.902   18.512  709.728   26.741  679.339   25.651  511.645   9.6722  500.605   9.4826 11.04016 13.54515 
1 1 1   14    8   39 o  427.256   6.0448  494.382   13.948  505.357   20.131  484.248   19.345  431.802   8.6276  422.711   8.4689 9.090149 12.08957 
1 1 1   14    8   40 f  199.657   5.0952  107.580   5.4862  114.371   8.0743  101.756   7.4774  205.484   7.2717  193.830   7.1390 11.65422 10.19036 
1 1 1   14    8   41 o  192.282   5.1451  100.260   5.3397   94.507   7.5389  106.052   7.5640  186.727   7.4716  197.837   7.0755 -11.11005 10.29012 
1 1 1   14    8   42 o  206.414   5.0589  115.263   5.6365  120.562   8.2084  110.535   7.7535  210.889   7.2031  201.939   7.1054 8.950775 10.11787 
1 1 1   14    8   43 o  336.652   5.3647  306.668   9.7444  320.890   14.269  294.238   13.340  343.932   7.6776  329.371   7.4949 14.56104 10.72936 
1 1 1   14    8   44 o  339.925   5.4528  313.537   10.012  319.813   14.415  307.688   13.916  343.196   7.7727  336.654   7.6496 6.542603 10.90558 
1 1 1   14    8   45 o  295.975   5.2559  237.797   8.4034  246.171   12.021  229.794   11.752  301.078   7.3891  290.873   7.4766 10.20496 10.51181 
1 1 1   14    8   46 o  239.917   8.0046  157.455   10.367  167.410   14.843  147.973   14.486  247.376   11.104  232.459   11.532 14.91667 16.00925 
1 1 1   14    8   47 o  207.861   8.3000  118.582   9.2974  130.518   13.330  107.275   12.974  218.162   11.307  197.559   12.153 20.60333 16.60005 
1 1 1   14    8   48 o  145.921   8.0717   55.228   5.7713   66.554   11.161   51.094   6.7428  155.095   13.317  136.747   9.1250 18.34825 16.14342 
1 1 1   14    8   49 o  368.727   5.6499  370.749   11.256  373.139   16.047  368.433   15.794  369.881   8.0287  367.574   7.9515 2.306580 11.29985 
1 1 1   14    8   50 o  119.937   6.8005   39.517   4.4017   37.438   6.2488   41.565   6.2013  116.746   9.9053  123.128   9.3204 -6.382362 13.60094 
1 1 1   14    8   51 o  177.025   5.5947   85.590   5.3453   91.641   7.6727   79.883   7.4510  183.141   7.7531  170.909   8.0679 12.23140 11.18934 
1 1 1   14    8   52 o  194.221   5.3501  102.881   5.5950  115.655   8.1259   91.365   7.7153  205.732   7.3094  182.710   7.8145 23.02208 10.70017 
1 1 1   14    8   53 o   88.452   8.9100   21.890   4.2472   24.033   6.0836   19.854   5.9323   92.784   12.134   84.120   13.051 8.663933 17.81997 
1 1 1   14    8   54 o   53.355   12.330   8.1196   4.1066   7.0944   5.7645   9.1760   5.8517   50.752   17.418   55.958   17.457 -5.206402 24.65997 
1 1 1   14    8   55 o   48.631   11.958   5.3254   4.3394   10.883   6.0479  -0.5715   6.2297   60.124   17.534   37.138   16.265 22.98601 23.91669 
1 1 1   14    8   56 o  127.573   7.1301   45.314   4.9141   46.502   6.9588   44.132   6.9402  129.287   9.9608  125.859   10.205 3.427757 14.26023 
1 1 1   14    8   57 o  167.196   6.1917   77.149   5.5850   83.230   8.1360   71.729   7.6805  173.443   8.6809  160.949   8.8311 12.49422 12.38331 
1 1 1   14    8   58 o  116.574   8.1285   38.307   5.0534   46.986   7.3862   30.668   6.9290  129.357   10.567  103.791   12.354 25.56583 16.25696 
1 1 1   14    8   59 o   74.001   12.491   17.341   4.9253   17.623   7.0251   17.069   6.9071   74.586   17.697   73.417   17.632 1.168526 24.98147 
1 1 1   14    8   60 o  127.849   9.4228   47.829   6.3317   45.495   10.016   49.382   8.1715  124.095   14.937  131.602   11.491 -7.507683 18.84552 
1 1 1   14    8   61 o  124.626   11.174   46.744   7.4901   48.626   10.283   44.617   10.932  128.022   14.865  121.229   16.688 6.792572 22.34792 
1 1 1   14    8   62 o  219.656   8.1880  142.110   9.7141  141.239   13.519  143.040   13.968  219.221   11.412  220.091   11.744 -0.8702850 16.37600 
1 1 1   14    8   63 o   93.032   11.735   28.327   5.5709   38.865   7.8945   17.875   7.8625  114.310   12.781   71.755   19.685 42.55541 23.46983 
1 1 1   14    9    0 o  732.627   12.817  1456.12   50.731  1435.81   70.853  1477.48   72.671  727.405   18.026  737.848   18.227 -10.44318 25.63478 
1 1 1   14    9    1 o  526.873   9.6198  751.617   27.383  739.865   38.255  763.964   39.212  522.657   13.545  531.090   13.664 -8.432556 19.23968 
1 1 1   14    9    2 o  399.012   7.8009  430.858   16.820  428.604   23.796  433.108   23.777  397.967   11.066  400.057   10.999 -2.089691 15.60184 
1 1 1   14    9    3 o  473.206   8.8071  605.248   22.496  585.586   30.957  627.252   32.748  465.085   12.318  481.326   12.591 -16.24048 17.61412 
1 1 1   14    9    4 o  394.731   7.6775  421.075   16.362  408.559   22.582  434.910   23.741  388.569   10.755  400.893   10.959 -12.32355 15.35498 
1 1 1   14    9    5 o  132.019   6.2483   47.278   4.4409   42.838   6.3070   51.644   6.2542  125.846   9.2745  138.192   8.3754 -12.34548 12.49654 
1 1 1   14    9    6 o  710.140   10.741  1375.58   39.431  1398.35   49.293  1335.14   65.706  718.670   12.693  701.611   17.331 17.05884 21.48208 
1 1 1   14    9    7 o  370.061   10.311  370.496   20.619   0.0000   0.0000  370.496   20.619  ?   ?   370.061   10.311      ?      ? 
1 1 1   14    9    8 o  252.604   8.3747  172.545   11.431   0.0000   0.0000  172.545   11.431  ?   ?   252.604   8.3747      ?      ? 
1 1 1   14    9    9 o  472.675   7.7793  584.769   18.281  556.440   21.679  654.505   34.012  453.617   8.8442  491.732   12.800 -38.11502 15.55854 
1 1 1   14    9   11 o  702.649   12.509  1273.90   45.554  1566.22   79.017  1128.38   55.751  759.909   19.243  645.389   15.986 114.5201 25.01703 
1 1 1   14    9   13 o  803.076   11.384  1744.72   49.400   0.0000   0.0000  1744.72   49.400  ?   ?   803.076   11.384      ?      ? 
1 1 1   14    9   14 o  187.638   5.7901   95.156   5.8708   0.0000   0.0000   95.156   5.8708  ?   ?   187.638   5.7901      ?      ? 
1 1 1   14    9   15 o  638.740   11.245  1103.52   38.811   0.0000   0.0000  1103.52   38.811  ?   ?   638.740   11.245      ?      ? 
1 1 1   14    9   17 o  508.962   9.2596  700.355   25.466   0.0000   0.0000  700.355   25.466  ?   ?   508.962   9.2596      ?      ? 
1 1 1   14    9   19 o  362.540   7.1201  355.269   13.949   0.0000   0.0000  355.269   13.949  ?   ?   362.540   7.1201      ?      ? 
1 1 1   14    9   20 o  670.006   16.531  1215.77   59.851   0.0000   0.0000  1215.77   59.851  ?   ?   670.006   16.531      ?      ? 
1 1 1   14    9   21 o  491.746   7.8939  645.987   19.785  630.407   24.105  678.153   34.635  482.857   9.2384  500.635   12.803 -17.77872 15.78787 
1 1 1   14    9   22 o  958.345   23.107  2493.24  119.662   0.0000   0.0000  2493.24  119.662  ?   ?   958.345   23.107      ?      ? 
1 1 1   14    9   23 o  661.808   11.717  1184.90   41.902   0.0000   0.0000  1184.90   41.902  ?   ?   661.808   11.717      ?      ? 
1 1 1   14    9   24 o  315.640   6.1138  273.987   9.9638  253.153   16.423  286.123   12.534  305.943   9.9339  325.337   7.1297 -19.39383 12.22770 
1 1 1   14    9   25 o  710.185   10.852  1336.75   38.415  1292.02   45.791  1443.02   70.583  690.916   12.265  729.453   17.907 -38.53674 21.70426 
1 1 1   14    9   26 f  238.138   5.4809  151.272   6.9722  140.636   9.0771  166.577   10.889  228.074   7.3652  248.201   8.1187 -20.12688 10.96173 
1 1 1   14    9   27 o  301.468   7.0446  245.695   11.476   0.0000   0.0000  245.695   11.476  ?   ?   301.468   7.0446      ?      ? 
1 1 1   14    9   28 o  324.589   7.4292  284.862   13.031   0.0000   0.0000  284.862   13.031  ?   ?   324.589   7.4292      ?      ? 
1 1 1   14    9   29 o  720.938   9.0210  1406.19   35.123  1372.54   48.672  1442.76   50.735  711.959   12.651  729.918   12.863 -17.95953 18.04203 
1 1 1   14    9   30 o  184.186   5.5214   91.393   5.4373   94.049   8.3704   89.454   7.1516  186.482   8.3065  181.890   7.2762 4.591965 11.04275 
1 1 1   14    9   31 o  564.356   7.3548  861.901   22.424  870.958   32.122  853.293   31.318  567.239   10.480  561.472   10.322 5.766235 14.70966 
1 1 1   14    9   32 o  280.285   7.0532  212.447   10.683   0.0000   0.0000  212.447   10.683  ?   ?   280.285   7.0532      ?      ? 
1 1 1   14    9   33 o  164.840   5.6369   72.103   4.9666   83.432   7.7512   64.211   6.4691  175.610   8.1683  154.069   7.7703 21.54141 11.27381 
1 1 1   14    9   34 o   88.007   9.6199   22.496   4.2251   16.089   6.4265   27.375   5.6074   75.491   16.236  100.523   10.323 -25.03191 19.23987 
1 1 1   14    9   35 o  345.554   5.4533  323.148   10.182  322.494   14.497  323.785   14.303  345.205   7.7719  345.904   7.6520 -0.6988525 10.90663 
1 1 1   14    9   36 o  360.649   5.5777  351.119   10.847  366.214   15.976  338.207   14.775  367.809   8.0381  353.490   7.7351 14.31912 11.15543 
1 1 1   14    9   37 o   86.459   9.1824   20.225   4.1483   25.096   6.3101   16.518   5.5050   96.128   12.148   76.789   13.773 19.33938 18.36480 
1 1 1   14    9   38 o  176.555   5.5114   84.299   5.2424   86.090   7.7529   82.789   7.1158  178.266   8.0483  174.844   7.5316 3.422424 11.02271 
1 1 1   14    9   39 o  102.602   7.7053   27.901   4.1839   37.357   6.4420   21.003   5.5023  117.307   10.163   87.896   11.585 29.41012 15.41062 
1 1 1   14    9   40 o  301.768   5.2208  245.855   8.4956  261.117   12.516  232.816   11.569  310.411   7.4618  293.125   7.3039 17.28580 10.44152 
1 1 1   14    9   41 o  148.745   5.8045   59.766   4.6544   64.121   6.8761   56.082   6.3231  153.719   8.2781  143.771   8.1390 9.947845 11.60906 
1 1 1   14    9   42 o  336.483   5.4221  307.012   9.8570  299.124   13.833  315.149   14.049  332.086   7.7087  340.879   7.6271 -8.793152 10.84425 
1 1 1   14    9   43 o  112.479   7.0835   34.285   4.2929   36.561   6.3738   32.396   5.8079  115.865   10.180  109.093   9.8522 6.772552 14.16696 
1 1 1   14    9   44 o  348.454   5.5089  329.864   10.373  329.919   14.689  329.809   14.651  348.481   7.8003  348.427   7.7814 0.5368042E-01 11.01790 
1 1 1   14    9   45 o  375.965   7.3229  386.140   13.760  386.492   16.578  385.360   24.671  376.991   8.1378  374.938   12.177 2.052765 14.64581 
1 1 1   14    9   46 o  130.730   11.060   47.421   7.7977   47.590   10.716   47.230   11.368  131.088   15.128  130.372   16.137 0.7164917 22.11909 
1 1 1   14    9   47 o  146.071   10.411   59.785   8.1252   68.784   11.380   50.428   11.605  157.738   13.351  134.404   15.979 23.33412 20.82227 
1 1 1   14    9   48 o  120.710   9.6042   40.441   5.3788   40.293   10.831   40.490   6.1970  119.765   16.736  121.654   9.4269 -1.888039 19.20841 
1 1 1   14    9   49 o   85.705   9.4927   20.536   4.2620   24.496   6.2860   17.167   5.7983   94.090   12.363   77.319   14.408 16.77125 18.98547 
1 1 1   14    9   50 o   88.061   9.0126   21.534   4.2845   22.782   6.2102   20.401   5.9187   90.500   12.699   85.623   12.792 4.876411 18.02522 
1 1 1   14    9   51 o  228.008   5.3188  141.657   6.5416  153.965   9.5056  130.583   9.0162  237.429   7.4090  218.587   7.6333 18.84236 10.63768 
1 1 1   14    9   52 o  170.480   5.7825   79.609   5.3238   82.091   7.6923   77.328   7.3756  173.012   8.2280  167.947   8.1271 5.064789 11.56499 
1 1 1   14    9   53 o  208.322   5.3620  118.351   6.0230  127.602   8.8676  110.428   8.2065  215.840   7.6030  200.805   7.5631 15.03542 10.72406 
1 1 1   14    9   54 o  130.389   6.8780   47.251   4.8278   44.352   6.9843   49.904   6.6810  126.376   10.227  134.401   9.1992 -8.025398 13.75597 
1 1 1   14    9   55 o  125.978   7.2082   44.245   4.8866   39.400   6.8586   49.240   6.9640  118.780   10.686  133.177   9.6771 -14.39671 14.41631 
1 1 1   14    9   56 o  159.204   6.1991   69.958   5.3292   73.468   7.6908   66.716   7.3914  163.055   8.7286  155.352   8.8049 7.703308 12.39819 
1 1 1   14    9   57 o  126.574   7.3547   44.967   5.0224   43.258   7.2083   46.579   7.0018  124.078   10.751  129.071   10.039 -4.993073 14.70943 
1 1 1   14    9   58 o  111.842   8.6570   35.383   5.1932   41.912   7.7070   29.952   7.0285  121.450   11.744  102.235   12.723 19.21511 17.31404 
1 1 1   14    9   59 o  188.666   7.9338  101.583   8.0842  101.374   11.609  101.779   11.265  188.308   11.409  189.025   11.028 -0.7167664 15.86751 
1 1 1   14    9   60 o  177.806   8.5920   90.557   8.2484   86.104   11.614   95.090   11.717  173.177   12.411  182.436   11.885 -9.258835 17.18391 
1 1 1   14    9   61 o   70.341   15.029   17.725   6.1685   18.528   7.8177   16.401   10.041   73.764   19.366   66.918   22.987 6.845612 30.05728 
1 1 1   14    9   62 o   85.637   11.856   23.265   5.3641   28.243   7.8067   18.814   7.3830   96.113   15.031   75.161   18.340 20.95131 23.71289 
1 1 1   14    9   63 o   49.477   13.563   7.6227   5.1739   8.4087   7.5175   6.9153   7.1317   50.944   19.516   48.009   18.839 2.935253 27.12562 
1 1 1   14   10    1 o  978.167   11.891  2593.57   62.839  2558.94   87.766  2630.00   90.012  971.489   16.719  984.845   16.914 -13.35651 23.78215 
1 1 1   14   10    2 o  301.686   5.0716  245.979   8.2618  248.195   11.935  243.941   11.448  302.987   7.2899  300.386   7.0527 2.601105 10.14316 
1 1 1   14   10    3 o  478.500   12.659  619.820   32.732  619.820   32.732   0.0000   0.0000  478.500   12.659  ?   ?       ?      ? 
1 1 1   14   10    4 o  146.542   5.7992   57.737   4.4995   59.685   7.1691   56.472   5.7795  148.559   8.9306  144.526   7.4004 4.032730 11.59833 
1 1 1   14   10    5 f  538.023   8.5270  784.376   23.564  780.180   40.076  786.593   29.131  536.783   13.817  539.263   9.9969 -2.479248 17.05397 
1 1 1   14   10    6 o  871.909   15.037  2064.19   70.845  2062.61  100.179  2065.77  100.200  871.575   21.271  872.243   21.259 -0.6682739 30.07318 
1 1 1   14   10    7 o  783.969   13.605  1667.05   57.633  1673.87   81.906  1660.36   81.109  785.548   19.295  782.389   19.185 3.159668 27.20982 
1 1 1   14   10    8 o  309.957   6.6892  259.378   11.193  269.820   16.272  250.000   15.421  315.866   9.5334  304.048   9.3858 11.81790 13.37835 
1 1 1   14   10    9 o  782.916   19.199  1662.39   81.223  1662.39   81.223   0.0000   0.0000  782.916   19.199  ?   ?       ?      ? 
1 1 1   14   10   10 o  786.907   13.647  1669.21   57.749  1778.60   86.954  1582.88   77.244  809.747   19.873  764.068   18.709 45.67914 27.29355 
1 1 1   14   10   11 o  186.249   8.1874   93.784   8.2401   0.0000   0.0000   93.784   8.2401  ?   ?   186.249   8.1874      ?      ? 
1 1 1   14   10   12 o  1579.54   21.751  6770.09  185.652   0.0000   0.0000  6770.09  185.652  ?   ?   1579.54   21.751      ?      ? 
1 1 1   14   10   13 o  1067.92   14.898  3087.17   85.969   0.0000   0.0000  3087.17   85.969  ?   ?   1067.92   14.898      ?      ? 
1 1 1   14   10   14 o  491.333   7.6457  652.554   20.299   0.0000   0.0000  652.554   20.299  ?   ?   491.333   7.6457      ?      ? 
1 1 1   14   10   15 o  615.003   9.1771  1022.58   30.498   0.0000   0.0000  1022.58   30.498  ?   ?   615.003   9.1771      ?      ? 
1 1 1   14   10   16 o  651.448   11.562  1147.82   40.702   0.0000   0.0000  1147.82   40.702  ?   ?   651.448   11.562      ?      ? 
1 1 1   14   10   17 o  506.799   9.4252  694.465   25.812   0.0000   0.0000  694.465   25.812  ?   ?   506.799   9.4252      ?      ? 
1 1 1   14   10   18 o  814.315   14.122  1794.70   62.139   0.0000   0.0000  1794.70   62.139  ?   ?   814.315   14.122      ?      ? 
1 1 1   14   10   19 o  489.865   9.1945  648.833   24.338   0.0000   0.0000  648.833   24.338  ?   ?   489.865   9.1945      ?      ? 
1 1 1   14   10   20 o  338.354   6.2363  299.309   9.2120  327.027   20.765  292.517   10.279  347.719   11.051  328.990   5.7819 18.72906 12.47256 
1 1 1   14   10   21 o  332.592   7.2625  299.013   13.052   0.0000   0.0000  299.013   13.052  ?   ?   332.592   7.2625      ?      ? 
1 1 1   14   10   23 o  216.047   6.6364  126.171   7.7476   0.0000   0.0000  126.171   7.7476  ?   ?   216.047   6.6364      ?      ? 
1 1 1   14   10   24 o  757.700   11.295  1582.31   45.324  1392.79   68.775  1727.82   60.262  716.638   17.760  798.761   13.962 -82.12292 22.59079 
1 1 1   14   10   25 o  1049.92   15.383  3040.62   84.741  2790.54  134.023  3207.20  109.381  1012.61   24.493  1087.24   18.618 -74.62488 30.76597 
1 1 1   14   10   26 o  715.211   17.585  1387.16   67.961   0.0000   0.0000  1387.16   67.961  ?   ?   715.211   17.585      ?      ? 
1 1 1   14   10   27 o  560.272   8.8481  838.698   25.189  817.920   30.593  882.432   44.384  549.825   10.297  570.719   14.392 -20.89374 17.69623 
1 1 1   14   10   28 o  656.098   8.3447  1165.20   29.584  1153.31   41.651  1177.30   42.027  652.721   11.809  659.476   11.794 -6.754578 16.68947 
1 1 1   14   10   29 o  574.303   10.532  892.525   32.685   0.0000   0.0000  892.525   32.685  ?   ?   574.303   10.532      ?      ? 
1 1 1   14   10   30 o   93.605   8.9080   24.010   4.2995   22.801   7.1622   24.691   5.3760   91.702   14.454   95.509   10.417 -3.806969 17.81607 
1 1 1   14   10   31 o  391.826   8.0878  415.296   17.124   0.0000   0.0000  415.296   17.124  ?   ?   391.826   8.0878      ?      ? 
1 1 1   14   10   32 o  271.236   5.1817  198.573   7.5592  203.072   11.303  194.932   10.168  273.997   7.6340  268.474   7.0086 5.523224 10.36338 
1 1 1   14   10   33 o  358.105   7.7291  346.994   14.956   0.0000   0.0000  346.994   14.956  ?   ?   358.105   7.7291      ?      ? 
1 1 1   14   10   34 o  295.913   5.2891  237.016   8.4533  234.058   12.098  239.838   11.816  294.100   7.6127  297.725   7.3447 -3.625153 10.57823 
1 1 1   14   10   35 o  293.567   5.2579  233.225   8.3342  221.065   11.709  245.709   11.865  285.802   7.5818  301.331   7.2867 -15.52863 10.51571 
1 1 1   14   10   36 o  266.568   5.1982  192.184   7.4709  194.647   10.970  190.054   10.203  268.144   7.5708  264.992   7.1251 3.152466 10.39637 
1 1 1   14   10   37 o  230.571   5.2018  143.949   6.4656  143.992   9.4768  143.912   8.8436  230.586   7.6058  230.556   7.0984 0.2958679E-01 10.40362 
1 1 1   14   10   38 o  193.817   7.2769  101.738   7.6213   0.0000   0.0000  101.738   7.6213  ?   ?   193.817   7.2769      ?      ? 
1 1 1   14   10   39 o  209.461   5.2973  119.027   5.9791  116.850   8.7439  120.939   8.1942  207.635   7.7932  211.287   7.1770 -3.652039 10.59451 
1 1 1   14   10   40 o  243.480   7.0333  160.664   9.2535   0.0000   0.0000  160.664   9.2535  ?   ?   243.480   7.0333      ?      ? 
1 1 1   14   10   41 o  350.368   5.5300  332.425   10.457  343.755   15.251  322.373   14.366  355.974   7.9286  344.762   7.7112 11.21146 11.06010 
1 1 1   14   10   42 o  137.323   6.3611   50.269   4.6746   59.614   7.2201   43.524   6.1337  148.098   9.0221  126.547   8.9698 21.55054 12.72225 
1 1 1   14   10   43 f  113.081   7.2512   34.931   4.3978   34.320   6.6037   35.417   5.8953  112.125   10.899  114.037   9.5669 -1.912216 14.50232 
1 1 1   14   10   44 o   72.408   10.774   14.183   4.1695   20.946   6.4780   9.4003   5.4479   87.260   13.739   57.556   16.601 29.70325 21.54823 
1 1 1   14   10   45 f  190.293   8.9871   99.893   9.2024  106.802   12.771   92.432   13.272  197.342   11.976  183.244   13.403 14.09721 17.97429 
1 1 1   14   10   46 o  188.218   9.2120   98.586   9.2687  112.793   12.956   83.694   13.265  202.569   11.836  173.867   14.119 28.70206 18.42403 
1 1 1   14   10   47 o  380.450   8.7259  399.263   17.938  405.856   25.488  392.793   25.249  383.590   12.296  377.310   12.384 6.278931 17.45181 
1 1 1   14   10   48 o  297.472   5.3814  240.170   8.6274  254.689   12.781  228.018   11.693  305.652   7.7386  289.291   7.4801 16.36102 10.76282 
1 1 1   14   10   49 o  252.496   5.3121  173.959   7.2443  173.950   10.408  173.968   10.090  252.450   7.6294  252.541   7.3935 -0.9075928E-01 10.62415 
1 1 1   14   10   50 o  230.038   5.3137  144.249   6.5968  149.451   9.6285  139.647   9.0563  233.906   7.6178  226.169   7.4102 7.736099 10.62740 
1 1 1   14   10   51 o  276.426   5.3328  207.663   7.9351  224.318   11.875  194.229   10.666  286.314   7.6756  266.537   7.4053 19.77716 10.66553 
1 1 1   14   10   52 o  163.574   5.9628   73.473   5.2544   73.326   7.7325   73.599   7.1619  163.318   8.7620  163.829   8.0900 -0.5116272 11.92562 
1 1 1   14   10   53 o  137.115   6.6333   52.072   4.8984   49.914   7.1277   54.003   6.7431  134.271   9.8238  139.960   8.9159 -5.688782 13.26650 
1 1 1   14   10   54 o  213.818   5.5275  125.160   6.3725  133.263   9.3985  118.266   8.6697  220.160   7.9001  207.477   7.7330 12.68259 11.05490 
1 1 1   14   10   55 o   42.836   12.328   2.9163   4.4736   3.2259   6.5591   2.6470   6.1173   43.841   17.774   41.830   17.087 2.011059 24.65519 
1 1 1   14   10   56 o  112.963   8.0734   36.034   4.9024   34.728   7.2256   37.148   6.6733  110.793   12.069  115.134   10.726 -4.341545 16.14674 
1 1 1   14   10   57 f   73.137   14.389   16.785   5.8602   20.070   9.0248   14.390   7.7058   78.885   20.855   67.390   19.832 11.49522 28.77874 
1 1 1   14   10   58 f  106.929   11.252   34.054   6.4605   36.644   9.8122   32.072   8.5836  110.094   16.494  103.764   15.309 6.329971 22.50314 
1 1 1   14   10   59 o  181.146   7.4413   94.115   7.1471  102.559   9.5483   83.356   10.778  191.449   9.2296  170.843   11.675 20.60614 14.88265 
1 1 1   14   10   60 o  137.283   8.1266   53.866   5.9460   65.749   8.6318   43.136   8.2024  152.325   10.487  122.242   12.418 30.08302 16.25323 
1 1 1   14   10   61 o   69.652   11.278   14.578   5.3797   31.288   7.9062   0.1712   7.3413  100.670   14.534   38.635   17.250 62.03493 22.55671 
1 1 1   14   10   62 o  123.084   8.7318   44.689   5.8042   46.317   8.3808   43.189   8.0463  125.202   12.388  120.966   12.310 4.236046 17.46364 
1 1 1   14   11    0 o  433.448   8.5516  508.007   20.030   0.0000   0.0000  508.007   20.030  ?   ?   433.448   8.5516      ?      ? 
1 1 1   14   11    1 o  222.805   4.8721  134.061   5.8626  138.180   8.4636  130.260   8.1286  226.092   6.9276  219.518   6.8526 6.573837 9.744243 
1 1 1   14   11    2 o  392.035   5.7409  415.311   12.154  421.695   17.548  409.423   16.851  394.926   8.2228  389.144   8.0137 5.781769 11.48189 
1 1 1   14   11    3 o  529.164   7.0098  757.312   20.043  758.708   28.511  755.948   28.181  529.644   9.9618  528.685   9.8645 0.9589844 14.01953 
1 1 1   14   11    4 o  246.373   4.9970  163.942   6.6438  152.434   9.2573  176.165   9.5404  237.462   7.2145  255.284   6.9160 -17.82199 9.993991 
1 1 1   14   11    6 o  330.958   5.3600  295.868   9.5784  302.074   13.871  290.212   13.242  334.271   7.6794  327.647   7.4795 6.623962 10.71992 
1 1 1   14   11    8 o  117.684   17.026   37.523   10.827   0.0000   0.0000   37.523   10.827  ?   ?   117.684   17.026      ?      ? 
1 1 1   14   11   10 o  619.811   9.9203  1041.82   31.091  1033.78   54.532  1045.69   37.844  617.847   16.333  621.775   11.264 -3.927856 19.84060 
1 1 1   14   11   11 o  678.520   9.7478  1253.88   31.501  1228.83   61.002  1262.99   36.785  673.613   16.759  683.426   9.9607 -9.813232 19.49555 
1 1 1   14   11   12 o  379.160   5.6860  388.521   11.650   0.0000   0.0000  388.521   11.650  ?   ?   379.160   5.6860      ?      ? 
1 1 1   14   11   13 o  972.283   16.667  2559.63   87.567   0.0000   0.0000  2559.63   87.567  ?   ?   972.283   16.667      ?      ? 
1 1 1   14   11   14 o  867.661   10.653  2035.86   49.947   0.0000   0.0000  2035.86   49.947  ?   ?   867.661   10.653      ?      ? 
1 1 1   14   11   15 o  373.259   5.6424  376.524   11.381   0.0000   0.0000  376.524   11.381  ?   ?   373.259   5.6424      ?      ? 
1 1 1   14   11   16 o  1078.49   15.115  3148.83   88.089   0.0000   0.0000  3148.83   88.089  ?   ?   1078.49   15.115      ?      ? 
1 1 1   14   11   17 o  488.686   7.6898  645.569   20.307   0.0000   0.0000  645.569   20.307  ?   ?   488.686   7.6898      ?      ? 
1 1 1   14   11   18 o  133.708   9.5122   48.341   6.8727   0.0000   0.0000   48.341   6.8727  ?   ?   133.708   9.5122      ?      ? 
1 1 1   14   11   19 o  760.242   9.4638  1562.82   38.878   0.0000   0.0000  1562.82   38.878  ?   ?   760.242   9.4638      ?      ? 
1 1 1   14   11   20 o  248.733   6.2792  165.804   7.6248  170.721   14.367  163.876   8.9961  251.238   10.583  246.227   6.7613 5.011200 12.55835 
1 1 1   14   11   21 o  368.474   11.607  367.342   23.111  367.342   23.111   0.0000   0.0000  368.474   11.607  ?   ?       ?      ? 
1 1 1   14   11   22 o  1228.70   20.900  4099.16  138.764   0.0000   0.0000  4099.16  138.764  ?   ?   1228.70   20.900      ?      ? 
1 1 1   14   11   24 o  1144.02   13.823  3548.21   85.381  3461.46  117.828  3644.12  123.895  1129.38   19.307  1158.66   19.788 -29.28687 27.64690 
1 1 1   14   11   25 o  1079.30   15.847  3210.51   89.419  2981.98  143.253  3356.40  114.455  1046.49   25.333  1112.12   19.046 -65.63086 31.69350 
1 1 1   14   11   26 o  803.914   14.052  1750.77   61.043   0.0000   0.0000  1750.77   61.043  ?   ?   803.914   14.052      ?      ? 
1 1 1   14   11   27 o  970.746   23.502  2565.31  123.281   0.0000   0.0000  2565.31  123.281  ?   ?   970.746   23.502      ?      ? 
1 1 1   14   11   28 o  880.398   10.829  2099.14   51.483  2046.46   71.201  2156.87   74.530  868.862   15.165  891.933   15.464 -23.07080 21.65887 
1 1 1   14   11   29 o  683.604   8.6588  1264.60   31.965  1229.81   44.263  1302.53   46.212  673.799   12.157  693.409   12.333 -19.60962 17.31758 
1 1 1   14   11   30 o  570.756   10.480  881.901   32.323   0.0000   0.0000  881.901   32.323  ?   ?   570.756   10.480      ?      ? 
1 1 1   14   11   31 o  243.018   5.4284  159.984   7.0654  157.973   10.694  161.542   9.4123  241.641   8.1899  244.395   7.1271 -2.753815 10.85686 
1 1 1   14   11   32 o  477.480   6.5973  617.114   17.012  623.111   24.534  611.560   23.609  479.699   9.4648  475.262   9.1932 4.437317 13.19456 
1 1 1   14   11   33 o  230.336   5.3102  143.567   6.5617  143.531   9.8904  143.595   8.7696  230.290   7.9479  230.383   7.0443 -0.9379578E-01 10.62035 
1 1 1   14   11   34 o   74.435   11.179   16.034   4.3073   12.743   6.9882   18.051   5.4700   67.316   18.596   81.553   12.412 -14.23722 22.35759 
1 1 1   14   11   35 o  263.638   5.2442  187.453   7.4317  194.600   11.180  181.795   9.9475  268.103   7.7171  259.172   7.1030 8.930359 10.48836 
1 1 1   14   11   36 o  362.022   5.6591  354.880   11.058  357.746   16.049  352.290   15.258  363.394   8.1733  360.651   7.8294 2.742340 11.31819 
1 1 1   14   11   37 o  575.282   7.5368  898.732   23.429  892.963   33.137  904.497   33.129  573.427   10.694  577.138   10.623 -3.710999 15.07363 
1 1 1   14   11   38 o  500.662   9.5433  680.395   25.818   0.0000   0.0000  680.395   25.818  ?   ?   500.662   9.5433      ?      ? 
1 1 1   14   11   39 o  255.958   5.2530  177.479   7.2494  179.497   10.639  175.730   9.9049  257.289   7.6521  254.627   7.1988 2.661423 10.50604 
1 1 1   14   11   40 f  288.122   5.2786  224.210   8.1894  235.184   12.205  215.222   11.045  294.481   7.6701  281.763   7.2541 12.71878 10.55712 
1 1 1   14   11   41 o  348.191   5.5819  328.257   10.475  339.102   15.481  319.101   14.225  353.440   8.1059  342.942   7.6762 10.49863 11.16378 
1 1 1   14   11   42 o  170.856   5.7571   78.733   5.2785   84.098   8.0443   74.676   6.9950  175.891   8.4636  165.820   7.8066 10.07094 11.51412 
1 1 1   14   11   43 f  133.967   6.6827   48.039   4.7896   55.274   7.4408   42.921   6.2586  142.401   9.6698  125.533   9.2264 16.86785 13.36533 
1 1 1   14   11   44 o  160.891   14.688   71.486   12.770   0.0000   0.0000   71.486   12.770  ?   ?   160.891   14.688      ?      ? 
1 1 1   14   11   45 o  139.207   11.363   55.437   8.2944   65.608   11.257   43.356   12.268  154.171   13.512  124.243   18.274 29.92866 22.72693 
1 1 1   14   11   46 o  243.002   8.3336  162.026   10.916  155.405   14.826  169.865   16.132  237.690   11.543  248.315   12.023 -10.62492 16.66723 
1 1 1   14   11   47 o  147.176   8.2782   57.411   5.8628   64.820   11.522   54.822   6.8103  152.726   13.962  141.627   8.8988 11.09883 16.55638 
1 1 1   14   11   48 o  155.346   6.1130   65.773   5.0862   67.838   7.7745   64.227   6.7251  157.356   9.1432  153.335   8.1165 4.020676 12.22607 
1 1 1   14   11   49 o  122.015   7.2273   40.606   4.7321   44.355   7.2274   37.794   6.2607  126.820   10.546  117.210   9.8849 9.609993 14.45470 
1 1 1   14   11   50 o  222.642   5.4036  135.310   6.4805  138.611   9.6002  132.546   8.7836  225.042   7.8946  220.243   7.3805 4.799561 10.80721 
1 1 1   14   11   51 o  108.601   7.9952   32.634   4.6631   34.036   7.0513   31.545   6.2166  110.527   11.806  106.674   10.785 3.852821 15.99048 
1 1 1   14   11   52 o  262.935   5.4417  188.903   7.7151  198.762   11.374  180.501   10.500  269.207   7.8188  256.662   7.5708 12.54517 10.88347 
1 1 1   14   11   53 o   49.085   12.587   6.1522   4.4059   3.6447   6.6182   8.1480   5.9045   44.891   17.975   53.279   17.624 -8.388638 25.17365 
1 1 1   14   11   54 o   99.275   8.8054   27.822   4.6755   28.115   7.1460   27.603   6.1824   99.422   13.301   99.127   11.542 0.2943878 17.61077 
1 1 1   14   11   55 o   76.697   13.774   17.669   5.5800   21.631   9.1913   15.356   7.0222   82.800   20.621   70.594   18.268 12.20617 27.54887 
1 1 1   14   11   56 o  104.725   11.032   32.046   6.1387   32.793   9.6152   31.532   7.9758  105.013   16.944  104.437   14.133 0.5763092 22.06475 
1 1 1   14   11   57 o   67.823   14.283   15.368   6.0449   8.1284   9.5580   20.194   7.8038   55.668   21.820   79.978   18.435 -24.31046 28.56500 
1 1 1   14   11   58 o   37.067   11.560  -3.7565   4.9157   4.5328   7.2453 -10.8266   6.6913   46.340   18.718   27.794   13.570 18.54595 23.11951 
1 1 1   14   11   59 o  197.938   6.4849  109.014   6.9212  118.267   10.174  101.043   9.4430  205.736   9.1514  190.139   9.1907 15.59773 12.96987 
1 1 1   14   11   60 o   49.087   13.635   6.6136   5.3366   9.2112   7.8086   4.3369   7.3102   53.496   20.026   44.677   18.509 8.819355 27.26940 
1 1 1   14   11   61 o   77.147   12.965   19.749   5.3881   24.426   7.7793   15.436   7.4699   87.057   17.147   67.238   19.452 19.81894 25.93052 
1 1 1   14   11   62 o   59.472   14.075   12.533   5.3398   15.383   7.9725   10.213   7.1909   64.659   20.407   54.285   19.390 10.37363 28.14982 
1 1 1   14   12    0 o  798.021   9.8879  1723.92   42.638  1724.62   60.457  1723.21   60.144  798.180   14.017  797.861   13.950 0.3192139 19.77583 
1 1 1   14   12    1 o  562.711   7.3808  856.420   22.442  851.529   31.707  861.331   31.770  561.100   10.457  564.323   10.418 -3.222595 14.76151 
1 1 1   14   12    2 o  640.287   8.1836  1108.68   28.308  1090.49   39.524  1127.84   40.563  634.900   11.521  645.674   11.626 -10.77386 16.36715 
1 1 1   14   12    6 o  760.374   9.4874  1564.50   38.981  1556.30   54.908  1572.84   55.349  758.366   13.399  762.381   13.435 -4.015625 18.97485 
1 1 1   14   12    7 o  379.572   7.3840  378.762   13.618  365.603   15.935  414.414   26.228  367.755   8.0186  391.388   12.402 -23.63354 14.76808 
1 1 1   14   12    8 o  564.791   7.4423  860.823   22.682  829.724   31.098  896.174   33.156  553.921   10.390  575.661   10.659 -21.74054 14.88467 
1 1 1   14   12    9 o  381.851   7.6233  400.862   14.460  377.477   25.849  411.513   17.445  373.540   12.806  390.163   8.2742 -16.62286 15.24662 
1 1 1   14   12   10 o  1121.84   13.577  3409.78   82.298  3432.53  117.219  3387.66  115.571  1125.52   19.273  1118.17   19.127 7.356567 27.15367 
1 1 1   14   12   11 o  525.421   7.8796  755.625   20.017  726.351   37.664  767.148   23.630  518.127   13.452  532.716   8.2088 -14.58923 15.75921 
1 1 1   14   12   12 o  557.158   7.3421  839.087   22.105   0.0000   0.0000  839.087   22.105  ?   ?   557.158   7.3421      ?      ? 
1 1 1   14   12   13 o  224.376   6.9102  136.078   8.3783   0.0000   0.0000  136.078   8.3783  ?   ?   224.376   6.9102      ?      ? 
1 1 1   14   12   14 o  698.398   8.8184  1318.73   33.280   0.0000   0.0000  1318.73   33.280  ?   ?   698.398   8.8184      ?      ? 
1 1 1   14   12   15 o  510.285   9.6087  704.101   26.495   0.0000   0.0000  704.101   26.495  ?   ?   510.285   9.6087      ?      ? 
1 1 1   14   12   16 o  360.319   8.3792  350.995   16.315   0.0000   0.0000  350.995   16.315  ?   ?   360.319   8.3792      ?      ? 
1 1 1   14   12   17 o  447.983   8.7608  542.599   21.208   0.0000   0.0000  542.599   21.208  ?   ?   447.983   8.7608      ?      ? 
1 1 1   14   12   18 f  682.553   12.147  1260.46   44.802   0.0000   0.0000  1260.46   44.802  ?   ?   682.553   12.147      ?      ? 
1 1 1   14   12   19 o  260.218   8.0629  183.070   11.337   0.0000   0.0000  183.070   11.337  ?   ?   260.218   8.0629      ?      ? 
1 1 1   14   12   20 o  1140.73   16.174  3459.22   83.426  3677.93  177.832  3397.50   94.466  1161.60   28.331  1119.87   15.611 41.73108 32.34731 
1 1 1   14   12   21 o  599.242   9.0273  975.440   25.139  965.541   50.654  978.675   28.957  596.917   15.704  601.566   8.9080 -4.649048 18.05456 
1 1 1   14   12   22 o  1276.86   21.734  4430.16  149.956   0.0000   0.0000  4430.16  149.956  ?   ?   1276.86   21.734      ?      ? 
1 1 1   14   12   23 o  1056.46   12.847  3021.07   73.228  2919.22  100.247  3137.58  107.223  1037.48   17.882  1075.45   18.451 -37.97156 25.69387 
1 1 1   14   12   24 o  698.000   12.442  1318.96   46.927   0.0000   0.0000  1318.96   46.927  ?   ?   698.000   12.442      ?      ? 
1 1 1   14   12   25 o  887.484   15.460  2135.03   74.140   0.0000   0.0000  2135.03   74.140  ?   ?   887.484   15.460      ?      ? 
1 1 1   14   12   26 o  758.003   11.608  1556.55   44.757  1562.84   77.811  1553.45   54.714  758.674   18.980  757.332   13.370 1.342346 23.21629 
1 1 1   14   12   27 o  390.851   10.983  413.513   23.197   0.0000   0.0000  413.513   23.197  ?   ?   390.851   10.983      ?      ? 
1 1 1   14   12   28 o  302.418   6.2607  248.843   10.149  260.549   13.718  234.685   15.086  310.352   8.1797  294.485   9.4804 15.86737 12.52141 
1 1 1   14   12   29 o   31.718   15.283 -12.0264   7.7850 -12.0264   7.7850   0.0000   0.0000   31.718   15.283  ?   ?       ?      ? 
1 1 1   14   12   30 o  676.214   12.099  1239.29   44.208   0.0000   0.0000  1239.29   44.208  ?   ?   676.214   12.099      ?      ? 
1 1 1   14   12   31 o  562.477   7.4238  857.245   22.563  848.734   31.930  865.735   31.888  559.680   10.558  565.275   10.440 -5.595459 14.84764 
1 1 1   14   12   32 o  432.990   6.2433  507.477   14.602  488.511   20.482  527.081   20.824  424.755   8.9238  441.224   8.7340 -16.46967 12.48667 
1 1 1   14   12   33 o  167.961   6.0795   76.321   5.3873   76.698   8.6147   76.080   6.9039  168.262   9.4747  167.661   7.6204 0.6009064 12.15898 
1 1 1   14   12   34 o  179.476   5.9823   88.081   5.6838   82.790   8.8343   91.817   7.4246  174.784   9.3537  184.168   7.4605 -9.383911 11.96457 
1 1 1   14   12   35 o  568.859   10.485  878.207   32.230   0.0000   0.0000  878.207   32.230  ?   ?   568.859   10.485      ?      ? 
1 1 1   14   12   36 o  260.193   5.3658  181.767   7.4589  193.801   11.593  173.268   9.7431  267.436   8.0224  252.950   7.1281 14.48676 10.73168 
1 1 1   14   12   37 o  366.234   5.7298  363.612   11.334  349.522   15.956  377.966   16.104  359.053   8.2237  373.414   7.9807 -14.36118 11.45952 
1 1 1   14   12   38 o  135.845   6.8154   50.881   4.8888   46.235   7.5708   54.204   6.4026  130.354   10.748  141.336   8.3833 -10.98164 13.63089 
1 1 1   14   12   39 o  288.228   5.3421  225.331   8.3047  224.353   12.106  226.201   11.414  287.604   7.7894  288.852   7.3127 -1.248047 10.68411 
1 1 1   14   12   40 o  262.851   7.3126  187.379   10.386   0.0000   0.0000  187.379   10.386  ?   ?   262.851   7.3126      ?      ? 
1 1 1   14   12   41 o  351.378   7.7943  335.290   14.799   0.0000   0.0000  335.290   14.799  ?   ?   351.378   7.7943      ?      ? 
1 1 1   14   12   42 o  259.120   7.2988  182.321   10.220   0.0000   0.0000  182.321   10.220  ?   ?   259.120   7.2988      ?      ? 
1 1 1   14   12   43 o  232.968   7.5359  148.930   8.5855  149.764   10.192  146.892   15.934  234.669   8.0371  231.268   12.750 3.400909 15.07188 
1 1 1   14   12   44 o  183.071   9.2219   91.578   9.0394   87.095   11.888   97.725   13.919  177.981   12.360  188.161   13.689 -10.18053 18.44389 
1 1 1   14   12   45 o  217.376   8.7010  130.241   10.190  130.023   13.880  130.495   15.006  217.347   11.818  217.406   12.774 -0.5915833E-01 17.40206 
1 1 1   14   12   46 o   31.203   10.627  -9.0735   4.9425 -18.7523   9.6788  -5.6593   5.7485   32.490   15.958   29.915   14.038 2.575182 21.25357 
1 1 1   14   12   47 o  177.005   5.8944   85.736   5.6024   84.381   8.3686   86.837   7.5418  175.618   8.8185  178.392   7.8237 -2.773773 11.78886 
1 1 1   14   12   48 o  123.275   7.4361   42.938   4.8245   34.968   7.2071   49.409   6.4943  112.310   11.875  134.240   8.9529 -21.92918 14.87217 
1 1 1   14   12   49 o  265.984   7.5159  193.318   10.803   0.0000   0.0000  193.318   10.803  ?   ?   265.984   7.5159      ?      ? 
1 1 1   14   12   50 o   72.925   11.311   16.652   4.5490   8.0257   6.8775   23.362   6.0652   54.383   19.004   91.467   12.271 -37.08390 22.62206 
1 1 1   14   12   51 o  244.614   5.4548  163.815   7.1934  166.115   10.571  161.831   9.8168  246.106   7.9489  243.122   7.4724 2.984116 10.90969 
1 1 1   14   12   52 o  107.712   8.4919   32.655   4.8745   31.835   7.4789   33.261   6.4271  106.177   13.035  109.246   10.887 -3.068756 16.98377 
1 1 1   14   12   53 o   43.780   12.709   1.5869   5.3112  -7.4414   8.8539   6.6622   6.6383   36.983   17.376   50.577   18.551 -13.59394 25.41780 
1 1 1   14   12   54 o  117.480   10.220   39.883   6.2003   38.536   10.279   40.653   7.7740  114.832   16.565  120.128   11.976 -5.295822 20.44049 
1 1 1   14   12   55 o  136.190   9.1528   51.745   6.5824   58.829   10.735   47.477   8.3327  142.919   13.900  129.461   11.911 13.45776 18.30554 
1 1 1   14   12   56 o  193.583   6.1807  103.991   6.4583  105.558   9.3821  102.580   8.9035  194.866   8.9100  192.300   8.5682 2.566040 12.36131 
1 1 1   14   12   57 o  128.459   8.2169   46.648   5.6490   56.658   8.5024   38.738   7.5584  140.912   11.166  116.005   12.058 24.90664 16.43381 
1 1 1   14   12   58 o  121.199   8.9275   42.029   5.8291   46.066   8.6458   38.665   7.8929  126.489   12.649  115.909   12.602 10.57983 17.85509 
1 1 1   14   12   59 o  124.086   8.7800   44.707   5.8562   45.446   8.7602   44.110   7.8742  124.578   13.013  123.593   11.790 0.9856873 17.56005 
1 1 1   14   12   60 o  107.610   9.8554   34.731   5.6976   40.035   8.5600   30.512   7.6344  115.046   13.769  100.173   14.104 14.87305 19.71079 
1 1 1   14   12   61 o   51.449   13.780   7.8955   5.3692   11.868   7.9605   4.5800   7.2724   58.190   20.440   44.708   18.486 13.48153 27.55938 
1 1 1   14   13    0 f  886.969   10.910  2129.56   52.287  2140.84   74.492  2118.61   73.411  889.275   15.502  884.663   15.357 4.611572 21.82048 
1 1 1   14   13    1 f  420.364   6.1100  477.684   13.876  479.469   19.824  475.970   19.431  421.131   8.7112  419.596   8.5698 1.535492 12.21994 
1 1 1   14   13    2 f  183.775   5.6722   91.251   5.6196   91.945   8.2490   90.651   7.6765  184.423   8.2775  183.127   7.7576 1.296143 11.34445 
1 1 1   14   13    5 o  974.254   11.891  2568.24   62.565  2516.96   86.744  2623.85   90.325  964.145   16.650  984.364   16.981 -20.21869 23.78176 
1 1 1   14   13    6 o  296.634   7.1022  235.536   10.275  232.447   12.111  243.468   19.410  293.248   7.6431  300.021   11.973 -6.772827 14.20436 
1 1 1   14   13    7 o  770.644   11.880  1609.01   46.540  1610.69   56.898  1605.63   80.901  771.540   13.647  769.748   19.450 1.792175 23.76027 
1 1 1   14   13    8 o  550.488   9.2304  824.430   25.670  806.982   44.946  832.877   31.271  546.004   15.234  554.971   10.428 -8.967163 18.46077 
1 1 1   14   13    9 o  303.176   7.4303  254.478   11.091  234.009   20.005  263.562   13.326  294.103   12.588  312.248   7.8982 -18.14410 14.86061 
1 1 1   14   13   10 o  406.053   6.9922  451.478   14.844  422.522   23.846  469.798   18.968  395.243   11.165  416.864   8.4205 -21.62149 13.98446 
1 1 1   14   13   11 o  750.088   10.875  1521.70   44.080   0.0000   0.0000  1521.70   44.080  ?   ?   750.088   10.875      ?      ? 
1 1 1   14   13   12 o  383.785   8.8373  398.228   18.327   0.0000   0.0000  398.228   18.327  ?   ?   383.785   8.8373      ?      ? 
1 1 1   14   13   13 o  341.839   7.7656  315.886   14.344   0.0000   0.0000  315.886   14.344  ?   ?   341.839   7.7656      ?      ? 
1 1 1   14   13   14 o  323.780   7.5732  283.385   13.250   0.0000   0.0000  283.385   13.250  ?   ?   323.780   7.5732      ?      ? 
1 1 1   14   13   15 o  418.649   8.5118  473.852   19.256   0.0000   0.0000  473.852   19.256  ?   ?   418.649   8.5118      ?      ? 
1 1 1   14   13   16 o  1485.73   17.764  5981.97  142.613   0.0000   0.0000  5981.97  142.613  ?   ?   1485.73   17.764      ?      ? 
1 1 1   14   13   17 o  721.727   12.810  1409.72   49.960   0.0000   0.0000  1409.72   49.960  ?   ?   721.727   12.810      ?      ? 
1 1 1   14   13   18 o  705.685   10.458  1347.13   39.878   0.0000   0.0000  1347.13   39.878  ?   ?   705.685   10.458      ?      ? 
1 1 1   14   13   19 f  881.120   15.304  2103.53   72.868   0.0000   0.0000  2103.53   72.868  ?   ?   881.120   15.304      ?      ? 
1 1 1   14   13   20 o  841.428   11.986  1916.24   54.497   0.0000   0.0000  1916.24   54.497  ?   ?   841.428   11.986      ?      ? 
1 1 1   14   13   21 o  893.364   12.885  2123.25   52.152  2241.67  110.716  2089.48   59.122  908.130   22.562  878.598   12.453 29.53198 25.77042 
1 1 1   14   13   22 o  1148.44   17.183  3561.64   99.233  3666.67  177.350  3513.77  119.730  1159.16   28.314  1137.71   19.475 21.44995 34.36509 
1 1 1   14   13   23 o  318.633   7.9100  274.542   13.619   0.0000   0.0000  274.542   13.619  ?   ?   318.633   7.9100      ?      ? 
1 1 1   14   13   24 o  460.383   9.1821  573.321   22.843   0.0000   0.0000  573.321   22.843  ?   ?   460.383   9.1821      ?      ? 
1 1 1   14   13   25 o  499.438   6.9512  674.895   18.759  667.412   26.527  682.380   26.531  496.665   9.8840  502.211   9.7765 -5.546143 13.90232 
1 1 1   14   13   26 o  299.950   7.1137  247.111   10.682  233.784   18.851  253.413   12.964  293.804   11.874  306.097   7.8378 -12.29269 14.22739 
1 1 1   14   13   27 o  854.258   12.803  2014.76   57.298  1845.05   90.923  2126.56   73.794  823.252   20.439  885.264   15.426 -62.01233 25.60686 
1 1 1   14   13   28 o  262.921   6.3560  186.466   8.9519  182.744   11.848  191.419   13.665  259.896   8.4364  265.945   9.5091 -6.049072 12.71203 
1 1 1   14   13   29 o  230.201   9.3949  143.469   11.687   0.0000   0.0000  143.469   11.687  ?   ?   230.201   9.3949      ?      ? 
1 1 1   14   13   30 o  749.763   13.254  1525.81   53.697   0.0000   0.0000  1525.81   53.697  ?   ?   749.763   13.254      ?      ? 
1 1 1   14   13   31 o  424.676   6.2659  488.270   14.375  472.891   20.206  504.031   20.456  417.896   8.9480  431.455   8.7738 -13.55875 12.53179 
1 1 1   14   13   32 o   81.182   11.579   17.457   4.7110   22.786   8.1817   14.814   5.7620   89.913   17.469   72.451   15.203 17.46185 23.15792 
1 1 1   14   13   33 o  312.254   7.4843  263.969   12.628   0.0000   0.0000  263.969   12.628  ?   ?   312.254   7.4843      ?      ? 
1 1 1   14   13   34 o  429.031   8.6361  498.853   20.021   0.0000   0.0000  498.853   20.021  ?   ?   429.031   8.6361      ?      ? 
1 1 1   14   13   35 o  612.520   11.169  1019.47   36.968   0.0000   0.0000  1019.47   36.968  ?   ?   612.520   11.169      ?      ? 
1 1 1   14   13   36 o  123.077   7.4748   39.223   4.7928   48.551   8.2078   34.397   5.9039  133.600   11.369  112.555   9.7071 21.04485 14.94955 
1 1 1   14   13   37 o  309.065   7.3810  258.954   12.327   0.0000   0.0000  258.954   12.327  ?   ?   309.065   7.3810      ?      ? 
1 1 1   14   13   38 o   97.120   9.7264   27.567   4.6210   21.559   7.5442   31.175   5.8461   87.172   16.622  107.067   10.105 -19.89523 19.45271 
1 1 1   14   13   39 o  227.088   5.4699  139.892   6.6539  140.192   10.101  139.661   8.8440  227.240   8.2258  226.936   7.2121 0.3045959 10.93971 
1 1 1   14   13   40 o  438.860   8.8404  523.798   20.965   0.0000   0.0000  523.798   20.965  ?   ?   438.860   8.8404      ?      ? 
1 1 1   14   13   41 o  316.071   7.6552  271.406   13.075   0.0000   0.0000  271.406   13.075  ?   ?   316.071   7.6552      ?      ? 
1 1 1   14   13   42 o  255.399   8.3185  178.842   11.462  191.036   16.254  166.779   16.166  264.177   11.386  246.620   12.131 17.55688 16.63701 
1 1 1   14   13   43 o  219.492   9.0479  133.887   10.618  150.878   14.719  115.450   15.332  234.509   11.615  204.475   13.876 30.03468 18.09584 
1 1 1   14   13   44 o   64.305   16.732   9.9590   7.9106   14.115   10.275   3.9122   12.395   70.588   23.245   58.022   24.074 12.56628 33.46473 
1 1 1   14   13   45 o  288.332   6.9226  223.603   9.7498  237.387   18.455  218.267   11.483  293.578   11.633  283.085   7.5068 10.49368 13.84516 
1 1 1   14   13   46 o   79.408   11.100   18.987   4.4797   14.451   7.2325   21.811   5.7059   69.964   18.750   88.852   11.884 -18.88836 22.19917 
1 1 1   14   13   47 o  177.693   6.0874   86.629   5.7918   85.232   8.7623   87.713   7.7184  176.249   9.2003  179.138   7.9736 -2.888702 12.17470 
1 1 1   14   13   48 o  233.194   7.6136  148.602   9.5939   0.0000   0.0000  148.602   9.5939  ?   ?   233.194   7.6136      ?      ? 
1 1 1   14   13   49 o   34.502   11.040  -4.0965   4.4263   0.4824   6.8989  -7.3001   5.7705   40.824   17.497   28.181   13.467 12.64344 22.07932 
1 1 1   14   13   50 o   44.586   12.732   2.6392   5.0568  -5.8626   9.0761   6.4665   6.0895   39.305   18.170   49.867   17.840 -10.56239 25.46400 
1 1 1   14   13   51 o  219.823   7.4388  134.473   8.6874  133.559   13.544  135.113   11.323  218.606   11.466  221.040   9.4802 -2.434021 14.87756 
1 1 1   14   13   52 o   42.770   12.934  -4.2738   5.5223   8.1532   9.3825 -10.8604   6.8308   56.904   21.802   28.636   13.921 28.26810 25.86766 
1 1 1   14   13   53 o   59.965   13.605   10.773   5.0069   12.044   7.2069   9.5878   6.9612   62.784   19.338   57.147   19.144 5.637642 27.21099 
1 1 1   14   13   54 o   57.264   13.112   9.4126   4.6687   13.028   7.1610   6.7396   6.1572   64.707   19.140   49.821   17.926 14.88651 26.22348 
1 1 1   14   13   55 o  171.414   6.5597   82.231   6.0375   76.683   8.8465   87.068   8.2603  165.631   9.8842  177.197   8.6268 -11.56560 13.11946 
1 1 1   14   13   56 f   92.104   10.842   25.442   5.2164   26.209   8.0130   24.878   6.8720   92.029   16.730   92.179   13.796 -0.1507492 21.68448 
1 1 1   14   13   57 o  128.518   8.6155   45.384   5.7972   64.882   9.1985   32.537   7.4668  151.001   11.273  106.034   13.032 44.96640 17.23106 
1 1 1   14   13   58 o  155.712   11.231   69.126   9.4502   69.126   9.4502   0.0000   0.0000  155.712   11.231  ?   ?       ?      ? 
1 1 1   14   13   59 o  162.282   7.4261   75.151   6.4532   89.886   9.8688   64.143   8.5295  176.077   10.372  148.488   10.630 27.58958 14.85215 
1 1 1   14   13   60 o   95.996   11.305   28.474   5.6757   34.805   8.5433   23.472   7.5937  106.792   14.805   85.200   17.089 21.59145 22.60961 
1 1 1   14   13   61 o  140.255   8.2727   58.353   6.2390   60.983   9.3657   56.255   8.3655  142.565   12.157  137.946   11.223 4.619064 16.54531 
1 1 1   14   14    0 o  486.892   9.9292  641.729   26.112  633.784   37.351  649.324   36.519  483.930   14.284  489.854   13.796 -5.924225 19.85841 
1 1 1   14   14    1 o  357.345   8.8074  345.502   17.003  337.387   24.056  353.604   24.036  353.145   12.606  361.544   12.303 -8.398315 17.61490 
1 1 1   14   14    2 o  474.031   8.4469  590.865   19.567  647.523   37.339  569.414   22.975  489.149   14.127  458.914   9.2647 30.23462 16.89372 
1 1 1   14   14    3 o  658.810   8.4736  1173.19   30.151  1146.54   41.853  1201.95   43.474  651.043   11.897  666.576   12.070 -15.53351 16.94726 
1 1 1   14   14    4 o  516.553   7.0712  721.515   19.737  722.970   28.085  720.095   27.741  517.065   10.052  516.041   9.9483 1.024597 14.14249 
1 1 1   14   14    5 o  1140.41   16.929  3552.77   99.304  3603.44  123.353  3459.46  167.400  1152.92   19.800  1127.90   27.466 25.01648 33.85867 
1 1 1   14   14    6 o  291.462   7.4154  226.428   10.531  222.219   12.389  237.387   19.993  286.709   7.9964  296.214   12.490 -9.505096 14.83076 
1 1 1   14   14    7 o  579.042   15.851  907.883   49.597  907.883   49.597   0.0000   0.0000  579.042   15.851  ?   ?       ?      ? 
1 1 1   14   14    8 o  333.340   13.222  300.676   23.816  300.676   23.816   0.0000   0.0000  333.340   13.222  ?   ?       ?      ? 
1 1 1   14   14   10 o  1177.13   17.281  3794.28  105.160  3655.41  174.824  3873.03  131.639  1159.17   27.910  1195.09   20.384 -35.91467 34.56157 
1 1 1   14   14   11 o  542.919   7.3397  796.775   21.533   0.0000   0.0000  796.775   21.533  ?   ?   542.919   7.3397      ?      ? 
1 1 1   14   14   12 o  299.719   8.8507  242.883   14.334   0.0000   0.0000  242.883   14.334  ?   ?   299.719   8.8507      ?      ? 
1 1 1   14   14   13 o  1117.85   13.553  3382.05   81.864   0.0000   0.0000  3382.05   81.864  ?   ?   1117.85   13.553      ?      ? 
1 1 1   14   14   14 o  1185.58   14.312  3805.47   91.686   0.0000   0.0000  3805.47   91.686  ?   ?   1185.58   14.312      ?      ? 
1 1 1   14   14   15 o  354.750   8.8935  340.306   17.048   0.0000   0.0000  340.306   17.048  ?   ?   354.750   8.8935      ?      ? 
1 1 1   14   14   16 o  913.229   11.279  2256.61   55.660   0.0000   0.0000  2256.61   55.660  ?   ?   913.229   11.279      ?      ? 
1 1 1   14   14   17 o  644.424   8.3690  1122.97   29.143   0.0000   0.0000  1122.97   29.143  ?   ?   644.424   8.3690      ?      ? 
1 1 1   14   14   19 o  342.080   6.0040  316.301   11.098   0.0000   0.0000  316.301   11.098  ?   ?   342.080   6.0040      ?      ? 
1 1 1   14   14   20 o  305.494   7.2075  252.317   11.898   0.0000   0.0000  252.317   11.898  ?   ?   305.494   7.2075      ?      ? 
1 1 1   14   14   21 o  334.076   7.1380  297.446   11.730  312.838   21.931  291.279   13.882  339.947   11.939  328.205   7.8274 11.74188 14.27606 
1 1 1   14   14   22 o  703.748   10.474  1320.08   33.491  1383.11   70.690  1301.83   38.030  713.841   18.326  693.654   10.146 20.18756 20.94714 
1 1 1   14   14   23 o  549.941   7.4440  817.010   22.101  785.075   30.477  852.430   32.097  538.631   10.471  561.252   10.583 -22.62091 14.88793 
1 1 1   14   14   25 o  148.774   7.8515   60.168   6.2162   58.545   9.5989   61.341   8.1578  147.008   12.084  150.539   10.029 -3.531036 15.70295 
1 1 1   14   14   26 o  159.782   7.5969   70.440   6.3738   62.871   9.9714   75.670   8.2881  152.340   12.113  167.224   9.1720 -14.88359 15.19381 
1 1 1   14   14   27 o  491.258   8.4345  667.378   21.459  604.054   34.899  705.876   27.211  471.904   13.686  510.612   9.8621 -38.70749 16.86906 
1 1 1   14   14   28 o  392.351   8.5373  416.681   18.100   0.0000   0.0000  416.681   18.100  ?   ?   392.351   8.5373      ?      ? 
1 1 1   14   14   29 o  290.502   9.8319  228.604   15.434   0.0000   0.0000  228.604   15.434  ?   ?   290.502   9.8319      ?      ? 
1 1 1   14   14   30 o  221.187   5.9627  132.768   7.0913  129.038   10.483  135.914   9.6285  218.291   8.8873  224.083   7.9518 -5.791351 11.92539 
1 1 1   14   14   31 o  300.924   7.6909  245.135   12.506   0.0000   0.0000  245.135   12.506  ?   ?   300.924   7.6909      ?      ? 
1 1 1   14   14   32 o  177.134   7.9995   84.980   7.6568   0.0000   0.0000   84.980   7.6568  ?   ?   177.134   7.9995      ?      ? 
1 1 1   14   14   33 o  422.282   8.6474  483.333   19.732   0.0000   0.0000  483.333   19.732  ?   ?   422.282   8.6474      ?      ? 
1 1 1   14   14   34 o  211.177   5.9367  121.682   6.6218  116.998   10.431  124.845   8.5702  207.671   9.2951  214.683   7.3877 -7.011978 11.87338 
1 1 1   14   14   35 o  429.264   6.3272  500.051   14.661  499.711   21.224  500.361   20.276  429.081   9.1536  429.447   8.7374 -0.3658447 12.65431 
1 1 1   14   14   36 o  233.647   5.6524  147.768   7.0430  150.077   10.915  146.121   9.2192  235.134   8.5902  232.159   7.3488 2.975433 11.30476 
1 1 1   14   14   37 o  309.316   7.4724  259.435   12.490   0.0000   0.0000  259.435   12.490  ?   ?   309.316   7.4724      ?      ? 
1 1 1   14   14   38 o  322.662   5.6660  283.116   9.8584  272.757   14.243  292.642   13.659  316.928   8.3169  328.396   7.6971 -11.46841 11.33208 
1 1 1   14   14   39 o  251.926   7.4405  172.293   10.129   0.0000   0.0000  172.293   10.129  ?   ?   251.926   7.4405      ?      ? 
1 1 1   14   14   40 o  345.598   12.488  327.477   23.322   0.0000   0.0000  327.477   23.322  ?   ?   345.598   12.488      ?      ? 
1 1 1   14   14   41 o   80.968   16.368   19.763   8.0159   26.554   10.378   9.7185   12.621   95.376   20.728   66.561   25.338 28.81583 32.73634 
1 1 1   14   14   42 o  141.920   11.573   53.887   8.6849   42.005   11.151   72.207   13.846  122.698   16.819  161.143   15.901 -38.44463 23.14571 
1 1 1   14   14   43 o  254.521   6.9661  175.072   8.7171  182.703   16.257  171.992   10.327  257.707   11.674  251.336   7.6040 6.370865 13.93215 
1 1 1   14   14   44 o  173.757   6.3559   82.877   5.8662   80.472   9.1038   84.585   7.6710  171.396   9.8295  176.117   8.0605 -4.720291 12.71185 
1 1 1   14   14   45 o   49.459   12.884   4.0556   4.6084   10.417   7.6864   0.4858   5.7581   60.967   20.106   37.951   16.117 23.01656 25.76848 
1 1 1   14   14   46 o   55.245   13.219   8.2328   4.5993   9.1224   7.4154   7.6766   5.8634   57.698   19.757   52.791   17.568 4.907024 26.43757 
1 1 1   14   14   47 o   70.208   12.721   15.013   4.8279   12.437   7.7491   16.646   6.1721   64.964   20.059   75.452   15.651 -10.48864 25.44279 
1 1 1   14   14   48 o   58.431   15.152   8.4291   5.8188   10.624   10.810   7.5338   6.9044   63.474   23.602   53.387   19.007 10.08670 30.30358 
1 1 1   14   14   49 o   79.881   13.735   21.261   5.9314   11.631   10.855   25.360   7.0821   64.952   23.738   94.811   13.824 -29.85887 27.46939 
1 1 1   14   14   50 o  203.105   7.9006  116.429   8.3818  109.189   13.461  121.013   10.712  196.992   12.645  209.217   9.4751 -12.22462 15.80126 
1 1 1   14   14   51 o  132.271   7.7839   48.102   5.5177   56.874   8.4257   41.515   7.3009  142.691   10.928  121.851   11.088 20.84004 15.56781 
1 1 1   14   14   52 o  248.283   5.7263  169.794   7.6680  170.168   11.198  169.464   10.522  248.394   8.3424  248.172   7.8465 0.2222595 11.45264 
1 1 1   14   14   53 o   99.505   12.619   28.114   6.7849   0.0000   0.0000   28.114   6.7849  ?   ?    99.505   12.619      ?      ? 
1 1 1   14   14   54 o  324.362   5.8710  291.219   10.281  289.383   14.834  292.916   14.261  323.200   8.4938  325.525   8.1075 -2.324738 11.74206 
1 1 1   14   14   55 o  138.490   7.8419   55.143   5.7773   49.657   8.6683   59.527   7.7494  131.502   12.199  145.479   9.8578 -13.97644 15.68385 
1 1 1   14   14   56 o  105.964   10.373   31.886   5.6140   45.585   8.9414   22.972   7.2130  125.315   13.204   86.614   16.001 38.70090 20.74552 
1 1 1   14   14   57 o  127.219   8.7391   46.550   5.9432   46.128   9.0485   46.871   7.8817  126.126   13.276  128.311   11.368 -2.185165 17.47817 
1 1 1   14   14   58 o   53.705   13.191   8.7016   5.4882  -0.2754   8.2541   15.815   7.3477   40.063   18.057   67.348   19.235 -27.28516 26.38243 
1 1 1   14   14   59 o   39.575   12.547  -0.4188   5.5272  -1.7069   8.5302   0.5133   7.2566   39.662   18.066   39.488   17.416 0.1739502 25.09380 
1 1 1   14   14   60 o  193.406   6.7540  107.966   7.0070  106.580   10.505  109.077   9.4051  191.499   10.151  195.312   8.9114 -3.813095 13.50794 
1 1 1   14   15    0 o  294.436   5.7917  234.418   9.2121  231.848   13.143  236.900   12.916  292.847   8.3054  296.025   8.0743 -3.177887 11.58333 
1 1 1   14   15    1 o  540.242   9.0829  793.461   25.157  801.786   31.100  777.703   42.790  544.487   10.570  535.996   14.774 8.490295 18.16575 
1 1 1   14   15    2 o  735.138   13.376  1464.61   53.128  1472.75   75.791  1456.76   74.496  737.131   19.028  733.145   18.804 3.985657 26.75158 
1 1 1   14   15    3 o  471.000   9.9641  600.023   25.330  608.333   36.835  592.568   34.888  474.074   14.379  467.925   13.798 6.149780 19.92815 
1 1 1   14   15    4 o  197.207   11.007  105.185   11.678  106.509   17.400  104.099   15.752  198.317   16.236  196.097   14.866 2.219589 22.01375 
1 1 1   14   15    5 o  1050.83   18.267  3001.10  103.722  3004.50  147.154  2997.75  146.221  1051.41   25.901  1050.26   25.765 1.150391 36.53321 
1 1 1   14   15    6 o  605.542   9.9238  1005.39   30.814  950.450   51.883  1035.32   38.300  592.419   16.207  618.664   11.457 -26.24548 19.84765 
1 1 1   14   15    7 o  493.629   8.7797  668.013   22.043  632.883   37.760  686.175   27.150  483.533   14.452  503.726   9.9744 -20.19354 17.55949 
1 1 1   14   15    8 o  428.467   6.4414  496.178   14.905  502.207   21.504  490.603   20.677  430.966   9.2341  425.967   8.9832 4.999054 12.88276 
1 1 1   14   15   10 o  772.032   11.822  1596.27   45.870  1665.09   82.369  1565.34   55.226  783.580   19.453  760.483   13.439 23.09705 23.64388 
1 1 1   14   15   11 o  238.985   7.7037  154.406   9.9485   0.0000   0.0000  154.406   9.9485  ?   ?   238.985   7.7037      ?      ? 
1 1 1   14   15   12 o  170.645   11.898   78.798   10.971   0.0000   0.0000   78.798   10.971  ?   ?   170.645   11.898      ?      ? 
1 1 1   14   15   13 o  382.455   6.1857  395.377   12.784   0.0000   0.0000  395.377   12.784  ?   ?   382.455   6.1857      ?      ? 
1 1 1   14   15   14 o  612.488   8.1067  1014.38   26.830   0.0000   0.0000  1014.38   26.830  ?   ?   612.488   8.1067      ?      ? 
1 1 1   14   15   15 o  341.189   6.0339  314.659   11.124   0.0000   0.0000  314.659   11.124  ?   ?   341.189   6.0339      ?      ? 
1 1 1   14   15   16 o  249.919   9.8476  168.949   13.299   0.0000   0.0000  168.949   13.299  ?   ?   249.919   9.8476      ?      ? 
1 1 1   14   15   17 o  790.269   9.9476  1689.38   42.480   0.0000   0.0000  1689.38   42.480  ?   ?   790.269   9.9476      ?      ? 
1 1 1   14   15   18 o  405.994   8.6641  445.782   19.008   0.0000   0.0000  445.782   19.008  ?   ?   405.994   8.6641      ?      ? 
1 1 1   14   15   19 o  650.366   9.6624  1144.27   33.957   0.0000   0.0000  1144.27   33.957  ?   ?   650.366   9.6624      ?      ? 
1 1 1   14   15   20 o  274.027   6.6569  203.005   9.8571   0.0000   0.0000  203.005   9.8571  ?   ?   274.027   6.6569      ?      ? 
1 1 1   14   15   21 o  808.573   11.924  1728.10   43.187  1855.63   93.538  1693.55   48.687  826.160   20.952  790.987   11.391 35.17322 23.84855 
1 1 1   14   15   22 o  640.211   9.6328  1115.51   28.785  1101.35   57.574  1120.23   33.238  636.997   16.726  643.425   9.5597 -6.428040 19.26560 
1 1 1   14   15   23 o  645.096   16.910  1130.18   58.945  1130.18   58.945   0.0000   0.0000  645.096   16.910  ?   ?       ?      ? 
1 1 1   14   15   24 o  207.859   6.7087  118.244   7.4503  103.402   10.896  131.273   10.210  195.442   10.318  220.277   8.5774 -24.83540 13.41735 
1 1 1   14   15   25 o  222.010   8.6114  133.368   10.331   0.0000   0.0000  133.368   10.331  ?   ?   222.010   8.6114      ?      ? 
1 1 1   14   15   26 o  323.032   8.1193  282.390   14.173   0.0000   0.0000  282.390   14.173  ?   ?   323.032   8.1193      ?      ? 
1 1 1   14   15   27 f  564.494   10.650  863.529   32.485   0.0000   0.0000  863.529   32.485  ?   ?   564.494   10.650      ?      ? 
1 1 1   14   15   28 o  270.182   12.776  198.131   18.652  198.131   18.652   0.0000   0.0000  270.182   12.776  ?   ?       ?      ? 
1 1 1   14   15   29 o  264.407   6.0384  189.898   8.5989  174.625   12.281  204.586   12.044  253.916   8.9506  274.898   8.1078 -20.98169 12.07682 
1 1 1   14   15   30 o  475.997   12.858  615.766   33.073   0.0000   0.0000  615.766   33.073  ?   ?   475.997   12.858      ?      ? 
1 1 1   14   15   31 o  384.278   8.4420  400.134   17.530   0.0000   0.0000  400.134   17.530  ?   ?   384.278   8.4420      ?      ? 
1 1 1   14   15   32 o  555.185   10.462  836.849   31.386   0.0000   0.0000  836.849   31.386  ?   ?   555.185   10.462      ?      ? 
1 1 1   14   15   33 o  118.581   8.6064   37.968   5.3269   39.437   8.8247   37.125   6.6816  120.266   13.579  116.896   10.578 3.369743 17.21275 
1 1 1   14   15   34 o  282.143   5.6776  215.672   8.6015  217.784   12.938  213.999   11.514  283.322   8.4511  280.963   7.5841 2.359467 11.35519 
1 1 1   14   15   35 o  173.668   6.4505   79.853   5.8823   90.519   9.7589   73.766   7.3721  182.465   9.8977  164.872   8.2748 17.59370 12.90100 
1 1 1   14   15   36 o  144.752   7.0670   54.341   5.3674   68.459   9.0097   46.573   6.6827  158.599   10.513  130.905   9.4473 27.69394 14.13408 
1 1 1   14   15   37 o  272.555   12.501  203.108   18.411   0.0000   0.0000  203.108   18.411  ?   ?   272.555   12.501      ?      ? 
1 1 1   14   15   38 o  221.861   8.7393  135.044   10.453  139.482   14.455  130.180   15.133  225.809   11.846  217.913   12.852 7.896408 17.47854 
1 1 1   14   15   39 o   54.282   15.450   1.9944   7.6332   10.149   10.283  -8.0135   11.392   64.186   23.157   44.377   20.460 19.80952 30.90088 
1 1 1   14   15   40 o  285.093   8.6192  223.057   13.259  238.514   18.859  207.950   18.644  294.987   11.831  275.198   12.538 19.78915 17.23837 
1 1 1   14   15   41 o  222.775   9.2740  135.415   11.087  125.405   14.667  148.761   16.935  213.402   12.719  232.149   13.500 -18.74753 18.54797 
1 1 1   14   15   42 o  107.734   9.0077   30.151   5.0343   39.077   8.7472   25.730   6.1561  118.784   13.628   96.684   11.783 22.09907 18.01546 
1 1 1   14   15   43 o   75.279   19.010   16.709   7.7344   16.709   7.7344   0.0000   0.0000   75.279   19.010  ?   ?       ?      ? 
1 1 1   14   15   44 o  199.786   6.0137  109.946   6.3934  103.743   9.7773  114.579   8.4503  194.600   9.2980  204.972   7.6294 -10.37224 12.02748 
1 1 1   14   15   45 o  162.321   8.6166   70.499   6.4680   78.356   13.440   68.131   7.3785  166.927   14.900  157.715   8.6578 9.212189 17.23314 
1 1 1   14   15   46 o  117.535   11.880   40.009   6.4479   39.369   12.366   40.248   7.5565  114.604   20.731  120.466   11.608 -5.861702 23.75971 
1 1 1   14   15   47 o  174.028   8.7315   88.016   7.6917   73.243   12.709   96.554   9.6621  160.893   14.618  187.163   9.5535 -26.27054 17.46299 
1 1 1   14   15   48 o   60.877   13.441   9.5670   5.3094   17.589   8.0629   3.4257   7.0549   75.997   19.528   45.757   18.475 30.23987 26.88259 
1 1 1   14   15   49 o  194.661   6.2198  104.314   6.4753  105.222   9.9056  103.637   8.5566  195.132   9.3943  194.191   8.1543 0.9405212 12.43968 
1 1 1   14   15   50 o   32.651   10.830  -7.7711   4.7189  -1.2617   7.5812 -11.8884   6.0293   39.908   17.691   25.395   12.497 14.51312 21.65974 
1 1 1   14   15   51 o  250.928   5.8297  173.384   7.8736  175.751   11.696  171.422   10.648  252.285   8.5791  249.571   7.8956 2.714478 11.65940 
1 1 1   14   15   52 o  127.360   8.0503   43.741   5.4250   57.373   8.7409   35.200   6.9188  142.865   11.322  111.856   11.447 31.00986 16.10053 
1 1 1   14   15   53 o   90.506   11.168   23.836   5.3000   28.413   8.2340   20.599   6.9255   98.489   15.472   82.522   16.109 15.96626 22.33530 
1 1 1   14   15   54 o  197.609   6.5179  109.511   6.9358  103.028   10.018  115.480   9.6123  191.637   9.6738  203.581   8.7377 -11.94417 13.03575 
1 1 1   14   15   55 o   57.680   14.272   10.333   5.4769   9.8100   8.2832   10.739   7.3005   56.948   20.747   58.411   19.605 -1.462765 28.54466 
1 1 1   14   15   56 o  215.441   8.7592  129.337   10.197   0.0000   0.0000  129.337   10.197  ?   ?   215.441   8.7592      ?      ? 
1 1 1   14   15   57 o   95.647   11.799   29.383   5.8302   27.744   8.9802   30.577   7.6654   90.893   18.900  100.400   14.129 -9.507156 23.59732 
1 1 1   14   15   58 o  102.411   10.525   31.907   5.8062   32.924   8.6024   31.056   7.8690  103.513   15.379  101.310   14.374 2.203873 21.05081 
1 1 1   14   15   59 o   96.404   12.225   31.264   6.0587   25.846   9.0807   35.612   8.1339   85.239   20.050  107.568   13.993 -22.32940 24.45069 
1 1 1   14   16    0 o  1053.08   12.882  3000.04   73.202  2905.14  100.391  3107.79  106.968  1035.38   17.944  1070.79   18.487 -35.40515 25.76310 
1 1 1   14   16    1 o  913.630   11.304  2260.42   55.804  2237.55   78.336  2283.98   79.514  908.944   15.949  918.315   16.024 -9.371033 22.60825 
1 1 1   14   16    2 o  440.976   6.6889  525.896   15.937  516.531   22.549  535.243   22.527  437.049   9.5480  444.902   9.3703 -7.852966 13.37785 
1 1 1   14   16    3 o  676.557   10.854  1244.00   37.523  1253.44   46.191  1225.68   64.343  680.601   12.560  672.513   17.706 8.087402 21.70802 
1 1 1   14   16    4 o  157.850   20.114   67.590   17.157   0.0000   0.0000   67.590   17.157  ?   ?   157.850   20.114      ?      ? 
1 1 1   14   16    5 o  595.998   11.693  962.350   37.651  964.414   53.739  960.360   52.769  596.612   16.669  595.384   16.402 1.228699 23.38531 
1 1 1   14   16    6 o  1190.40   20.626  3862.61  132.678  3862.61  187.891  3862.61  187.381  1190.39   29.210  1190.42   29.130 -0.2880859E-01 41.25249 
1 1 1   14   16    7 o  530.274   10.988  760.235   31.438  787.838   45.997  736.036   43.068  539.267   15.785  521.280   15.290 17.98700 21.97568 
1 1 1   14   16    8 o  284.751   10.556  216.063   16.109  251.577   24.717  189.842   21.239  304.757   15.009  264.745   14.846 40.01248 21.11123 
1 1 1   14   16   10 o  349.078   7.1500  329.436   13.487   0.0000   0.0000  329.436   13.487  ?   ?   349.078   7.1500      ?      ? 
1 1 1   14   16   11 o  426.661   9.8500  492.421   22.709   0.0000   0.0000  492.421   22.709  ?   ?   426.661   9.8500      ?      ? 
1 1 1   14   16   12 o   73.933   17.156   15.415   6.7214   0.0000   0.0000   15.415   6.7214  ?   ?    73.933   17.156      ?      ? 
1 1 1   14   16   13 o  753.298   9.5769  1534.84   38.983   0.0000   0.0000  1534.84   38.983  ?   ?   753.298   9.5769      ?      ? 
1 1 1   14   16   14 o  655.458   12.337  1162.92   43.695   0.0000   0.0000  1162.92   43.695  ?   ?   655.458   12.337      ?      ? 
1 1 1   14   16   15 o  641.041   9.9033  1111.69   34.305   0.0000   0.0000  1111.69   34.305  ?   ?   641.041   9.9033      ?      ? 
1 1 1   14   16   16 o  246.207   6.4679  163.872   8.6050   0.0000   0.0000  163.872   8.6050  ?   ?   246.207   6.4679      ?      ? 
1 1 1   14   16   17 o  219.589   6.7934  130.363   8.0610   0.0000   0.0000  130.363   8.0610  ?   ?   219.589   6.7934      ?      ? 
1 1 1   14   16   18 o  613.289   8.2149  1017.17   27.224   0.0000   0.0000  1017.17   27.224  ?   ?   613.289   8.2149      ?      ? 
1 1 1   14   16   19 o   70.760   18.889   14.072   7.3578   0.0000   0.0000   14.072   7.3578  ?   ?    70.760   18.889      ?      ? 
1 1 1   14   16   20 o  636.216   9.5324  1095.33   32.771   0.0000   0.0000  1095.33   32.771  ?   ?   636.216   9.5324      ?      ? 
1 1 1   14   16   21 o   53.348   17.297   7.4747   5.6980   0.0000   0.0000   7.4747   5.6980  ?   ?    53.348   17.297      ?      ? 
1 1 1   14   16   22 o  660.333   10.541  1174.67   35.009  1205.41   62.522  1160.63   42.255  666.104   17.370  654.562   11.946 11.54175 21.08168 
1 1 1   14   16   23 o  142.240   9.6553   56.509   5.8321   52.230   13.071   57.573   6.5167  138.605   17.451  145.874   8.2673 -7.268768 19.31068 
1 1 1   14   16   24 o  570.958   10.867  883.320   33.526   0.0000   0.0000  883.320   33.526  ?   ?   570.958   10.867      ?      ? 
1 1 1   14   16   26 o  185.202   7.3185   94.354   7.2031   82.908   10.791  103.553   9.6737  174.858   11.420  195.545   9.1550 -20.68747 14.63698 
1 1 1   14   16   27 f  205.027   8.8699  113.843   9.8269   0.0000   0.0000  113.843   9.8269  ?   ?   205.027   8.8699      ?      ? 
1 1 1   14   16   28 o  300.377   7.6507  250.938   11.393  228.829   20.246  261.184   13.782  290.196   12.911  310.559   8.2126 -20.36276 15.30144 
1 1 1   14   16   29 o  215.406   8.6123  132.794   8.7948  111.757   16.430  141.243   10.412  202.489   15.015  228.323   8.4392 -25.83440 17.22452 
1 1 1   14   16   30 o  187.938   10.946   95.923   11.116   0.0000   0.0000   95.923   11.116  ?   ?   187.938   10.946      ?      ? 
1 1 1   14   16   31 o  395.480   11.501  425.225   24.577   0.0000   0.0000  425.225   24.577  ?   ?   395.480   11.501      ?      ? 
1 1 1   14   16   32 o  326.358   5.9795  289.483   10.523  272.987   15.059  305.223   14.710  317.204   8.7857  335.513   8.1135 -18.30884 11.95898 
1 1 1   14   16   33 f  244.326   7.9263  160.310   9.8141  156.238   11.891  169.009   17.381  239.841   9.1750  248.810   12.928 -8.968185 15.85262 
1 1 1   14   16   34 o  133.530   11.434   51.667   7.5864   57.165   9.3966   41.374   12.857  144.789   12.010  122.270   19.459 22.51830 22.86704 
1 1 1   14   16   35 o  114.691   13.934   36.646   8.4277   33.806   11.209   40.338   12.782  108.812   19.793  120.571   19.619 -11.75996 27.86891 
1 1 1   14   16   36 o  272.676   8.5039  202.931   12.509  198.040   17.116  208.536   18.325  269.224   11.766  276.128   12.282 -6.903931 17.00775 
1 1 1   14   16   37 f  116.119   13.951   37.418   8.4597   30.270   11.133   47.185   13.014  102.123   20.878  130.115   18.510 -27.99149 27.90184 
1 1 1   14   16   38 o   45.890   14.404  -4.8959   7.5333   2.1899   10.098 -13.7883   11.312   51.870   21.642   39.910   19.012 11.95928 28.80745 
1 1 1   14   16   39 o  321.040   7.0917  283.139   11.350  277.027   20.338  285.903   13.677  317.836   11.842  324.244   7.8062 -6.407593 14.18347 
1 1 1   14   16   40 o  184.478   6.3525   93.078   6.1487   91.991   9.9317   93.754   7.8296  183.379   10.023  185.577   7.8078 -2.198730 12.70498 
1 1 1   14   16   41 o  186.549   7.7829   94.806   7.8456   0.0000   0.0000   94.806   7.8456  ?   ?   186.549   7.7829      ?      ? 
1 1 1   14   16   42 o  225.057   8.3149  148.271   8.5292  122.973   16.764  157.107   9.9073  210.000   14.773  240.113   7.6357 -30.11317 16.62980 
1 1 1   14   16   43 o  146.345   11.153   57.300   7.3786   65.878   15.924   54.955   8.3265  151.461   19.456  141.229   10.911 10.23247 22.30686 
1 1 1   14   16   44 o  125.918   11.038   36.308   6.5879   65.203   14.150   28.311   7.4439  151.204   17.318  100.632   13.689 50.57165 22.07501 
1 1 1   14   16   45 o   76.506   14.121   19.636   6.2428   7.0270   12.055   24.257   7.2975   60.206   24.206   92.805   14.552 -32.59913 28.24287 
1 1 1   14   16   46 o   36.269   11.493  -2.3915   4.7026  -6.1130   7.5024   0.0169   6.0353   34.815   16.239   37.723   16.269 -2.908215 22.98677 
1 1 1   14   16   47 o  253.820   7.8316  176.556   10.741   0.0000   0.0000  176.556   10.741  ?   ?   253.820   7.8316      ?      ? 
1 1 1   14   16   48 o   98.381   9.7870   26.569   5.0947   31.942   8.3002   23.321   6.4533  105.873   14.508   90.889   13.140 14.98438 19.57406 
1 1 1   14   16   49 o  138.323   7.8968   54.922   5.7075   46.482   8.8331   60.972   7.4782  128.242   12.747  148.403   9.3254 -20.16145 15.79368 
1 1 1   14   16   50 o  111.826   9.1396   35.922   5.3701   33.240   8.4454   37.742   6.9579  107.576   14.528  116.075   11.093 -8.498795 18.27920 
1 1 1   14   16   51 f  213.390   6.3278  126.459   7.2073  123.923   11.020  128.355   9.5275  211.080   9.6616  215.700   8.1741 -4.619370 12.65555 
1 1 1   14   16   52 o  115.403   9.1612   37.814   5.6118   39.683   8.8794   36.571   7.2413  117.210   14.019  113.596   11.797 3.613167 18.32236 
1 1 1   14   16   53 o  211.347   8.5001  124.224   9.7075   0.0000   0.0000  124.224   9.7075  ?   ?   211.347   8.5001      ?      ? 
1 1 1   14   16   54 o   58.566   14.337   9.5468   5.6556   16.357   8.9617   5.0393   7.2908   69.851   21.572   47.282   18.890 22.56836 28.67361 
1 1 1   14   16   55 o  181.520   10.582   93.083   10.380   93.083   10.380   0.0000   0.0000  181.520   10.582  ?   ?       ?      ? 
1 1 1   14   16   56 o  229.144   6.4760  149.264   7.9919  141.259   11.555  156.604   11.065  222.704   9.6020  235.584   8.6922 -12.87979 12.95194 
1 1 1   14   16   57 o   43.910   12.921   1.4240   5.7369  -7.7125   8.5005   9.0663   7.7744   34.281   16.372   53.539   19.994 -19.25814 25.84220 
1 1 1   14   16   58 o  143.715   8.4960   61.116   6.5839   66.180   9.6758   56.750   8.9847  149.256   11.997  138.175   12.033 11.08049 16.99191 
1 1 1   14   17    0 o  154.769   8.3481   64.914   6.8639   81.469   9.9840   50.077   9.4518  173.531   10.647  136.008   12.861 37.52266 16.69614 
1 1 1   14   17    2 o  948.751   11.780  2437.89   60.351  2382.94   83.524  2497.93   87.299  937.606   16.486  959.896   16.830 -22.28918 23.55923 
1 1 1   14   17    3 o  707.580   18.517  1358.33   70.801   0.0000   0.0000  1358.33   70.801  ?   ?   707.580   18.517      ?      ? 
1 1 1   14   17    4 o  587.767   11.250  934.838   35.732   0.0000   0.0000  934.838   35.732  ?   ?   587.767   11.250      ?      ? 
1 1 1   14   17    5 o  661.454   10.988  1195.28   36.733  1157.88   64.075  1213.59   44.831  653.331   18.149  669.578   12.391 -16.24725 21.97568 
1 1 1   14   17    6 o  1105.50   19.116  3316.62  114.195   0.0000   0.0000  3316.62  114.195  ?   ?   1105.50   19.116      ?      ? 
1 1 1   14   17    7 o  362.823   6.4804  354.378   12.670  378.010   18.798  334.705   17.151  373.850   9.3051  351.796   9.0220 22.05429 12.96076 
1 1 1   14   17    9 o  263.935   7.2322  190.337   10.195  172.928   15.183  204.632   13.759  252.804   11.115  275.065   9.2566 -22.26161 14.46449 
1 1 1   14   17   10 o  704.060   13.057  1342.09   49.677   0.0000   0.0000  1342.09   49.677  ?   ?   704.060   13.057      ?      ? 
1 1 1   14   17   12 f  784.310   14.246  1666.55   60.377   0.0000   0.0000  1666.55   60.377  ?   ?   784.310   14.246      ?      ? 
1 1 1   14   17   14 o  702.148   13.152  1335.19   49.901   0.0000   0.0000  1335.19   49.901  ?   ?   702.148   13.152      ?      ? 
1 1 1   14   17   15 o  590.443   11.688  943.706   37.291   0.0000   0.0000  943.706   37.291  ?   ?   590.443   11.688      ?      ? 
1 1 1   14   17   16 o  217.225   11.593  127.746   13.608   0.0000   0.0000  127.746   13.608  ?   ?   217.225   11.593      ?      ? 
1 1 1   14   17   17 o  898.748   16.018  2191.83   77.794   0.0000   0.0000  2191.83   77.794  ?   ?   898.748   16.018      ?      ? 
1 1 1   14   17   19 o  179.985   8.9262   87.651   8.6814   0.0000   0.0000   87.651   8.6814  ?   ?   179.985   8.9262      ?      ? 
1 1 1   14   17   20 o  247.909   7.5519  166.232   10.117   0.0000   0.0000  166.232   10.117  ?   ?   247.909   7.5519      ?      ? 
1 1 1   14   17   21 o  241.536   7.3076  157.811   9.5377   0.0000   0.0000  157.811   9.5377  ?   ?   241.536   7.3076      ?      ? 
1 1 1   14   17   22 o  713.435   11.283  1362.27   40.016  1439.64   73.485  1329.65   47.710  726.753   18.712  700.117   12.611 26.63678 22.56505 
1 1 1   14   17   23 o  421.186   7.9238  483.427   16.949  473.423   29.373  488.421   20.753  417.657   13.015  424.714   9.0425 -7.056549 15.84766 
1 1 1   14   17   24 o  591.619   11.325  952.306   36.196  945.270   50.592  959.685   51.808  589.415   15.884  593.823   16.145 -4.407959 22.64929 
1 1 1   14   17   25 o  150.469   11.039   60.399   8.4946   57.979   10.353   65.383   14.860  146.111   13.113  154.827   17.762 -8.715485 22.07770 
1 1 1   14   17   26 o  269.866   13.018  197.905   18.984   0.0000   0.0000  197.905   18.984  ?   ?   269.866   13.018      ?      ? 
1 1 1   14   17   27 o  172.481   9.9544   78.636   8.8975   73.190   10.951   89.212   15.261  164.103   12.350  180.859   15.615 -16.75610 19.90881 
1 1 1   14   17   28 o  169.016   11.310   79.016   10.168   85.270   13.596   71.081   15.315  176.891   14.224  161.140   17.589 15.75073 22.62075 
1 1 1   14   17   29 o  426.109   13.660  494.820   31.454   0.0000   0.0000  494.820   31.454  ?   ?   426.109   13.660      ?      ? 
1 1 1   14   17   30 o  167.437   17.049   76.892   15.425   0.0000   0.0000   76.892   15.425  ?   ?   167.437   17.049      ?      ? 
1 1 1   14   17   31 o   66.537   24.157   10.437   11.215   10.437   11.215   0.0000   0.0000   66.537   24.157  ?   ?       ?      ? 
1 1 1   14   17   32 o  125.195   15.376   48.326   9.5581   68.446   13.007   24.707   14.092  157.993   15.235   92.398   26.714 65.59555 30.75284 
1 1 1   14   17   33 o  313.742   8.6578  267.879   14.636  259.459   19.842  277.928   21.678  308.434   11.905  319.051   12.574 -10.61612 17.31562 
1 1 1   14   17   34 o  473.697   9.8543  614.947   25.218  630.405   36.108  600.225   35.236  479.507   13.935  467.888   13.937 11.61945 19.70866 
1 1 1   14   17   35 o  239.132   7.2300  154.503   8.5991  159.549   15.687  152.335   10.282  241.484   12.022  236.780   8.0357 4.703247 14.46003 
1 1 1   14   17   36 o  168.185   7.0204   74.285   6.1656   88.171   10.447   66.864   7.6376  179.661   10.761  156.708   9.0193 22.95258 14.04088 
1 1 1   14   17   37 o  252.742   7.6637  173.618   10.467   0.0000   0.0000  173.618   10.467  ?   ?   252.742   7.6637      ?      ? 
1 1 1   14   17   38 o   79.472   12.435   19.804   5.1191   12.122   8.7797   23.760   6.3009   65.988   21.475   92.955   12.544 -26.96701 24.87038 
1 1 1   14   17   39 o  266.464   8.4361  202.080   11.716  158.018   17.694  236.486   15.635  238.928   13.704  294.000   9.8417 -55.07166 16.87217 
1 1 1   14   17   40 o  156.828   9.8334   64.608   7.3266   76.126   14.815   60.878   8.4297  164.689   16.647  148.967   10.472 15.72198 19.66687 
1 1 1   14   17   41 o  255.574   8.6458  189.406   11.294  144.234   17.708  220.383   14.664  227.505   14.404  283.643   9.5671 -56.13828 17.29165 
1 1 1   14   17   42 o  101.757   15.013   37.904   6.7823   17.678   14.792   43.288   7.6318   78.310   27.826  125.205   11.280 -46.89487 30.02578 
1 1 1   14   17   43 o  148.913   7.5771   62.848   5.8633   54.155   9.2823   68.619   7.5632  139.614   12.304  158.211   8.8467 -18.59695 15.15416 
1 1 1   14   17   44 f  139.248   7.9464   54.858   5.7177   49.613   9.3161   58.028   7.2421  133.219   12.941  145.277   9.2252 -12.05836 15.89286 
1 1 1   14   17   45 o  101.083   11.454   34.721   5.3138   15.802   8.5301   46.720   6.7929   72.013   20.773  130.153   9.6586 -58.13964 22.90853 
1 1 1   14   17   46 o   41.339   12.599   0.0230   4.8926   2.4073   8.2932  -1.2498   6.0594   46.794   19.577   35.883   15.866 10.91141 25.19862 
1 1 1   14   17   47 o   56.040   12.892   9.1659   4.8412   3.0989   7.8221   12.933   6.1635   46.595   19.210   65.485   17.197 -18.88959 25.78336 
1 1 1   14   17   48 o  122.216   13.438   42.451   8.8747   42.451   8.8747   0.0000   0.0000  122.216   13.438  ?   ?       ?      ? 
1 1 1   14   17   49 o  165.355   7.0416   76.590   6.1732   73.029   9.5730   79.124   8.0768  161.537   10.967  169.173   8.8353 -7.635605 14.08322 
1 1 1   14   17   50 o  263.524   6.0048  192.974   8.5030  175.624   12.272  208.992   11.792  251.688   9.0235  275.361   7.9251 -23.67320 12.00959 
1 1 1   14   17   51 o   69.138   12.849   13.035   5.4501   26.196   8.5693   4.0951   7.0626   92.306   17.826   45.970   18.511 46.33661 25.69867 
1 1 1   14   17   52 o  189.274   6.7408  100.462   6.8342  100.009   10.346  100.813   9.1031  188.431   10.160  190.117   8.8610 -1.686447 13.48153 
1 1 1   14   17   53 o   85.587   12.858   22.455   5.7117   28.999   9.0036   18.049   7.3888   96.055   18.008   75.120   18.358 20.93524 25.71598 
1 1 1   14   17   54 o  124.218   10.522   47.843   6.3444   29.713   9.1802   64.419   8.7780   97.546   18.082  150.890   10.766 -53.34321 21.04430 
1 1 1   14   17   55 o  241.200   8.8222  164.348   11.498   0.0000   0.0000  164.348   11.498  ?   ?   241.200   8.8222      ?      ? 
1 1 1   14   17   56 o   92.836   12.616   28.134   6.0947   28.732   8.8165   27.586   8.4346   93.580   18.090   92.092   17.591 1.487839 25.23245 
1 1 1   14   17   57 o   62.706   14.649   14.327   5.7877   13.336   8.4736   15.193   7.9242   60.565   21.099   64.847   20.328 -4.281788 29.29801 
1 1 1   14   18    0 o  302.200   6.4815  246.940   10.583  240.966   14.855  253.095   15.079  298.488   9.2102  305.911   9.1221 -7.422882 12.96310 
1 1 1   14   18    1 o  411.837   9.4618  458.753   21.057   0.0000   0.0000  458.753   21.057  ?   ?   411.837   9.4618      ?      ? 
1 1 1   14   18    2 o  384.799   14.776  401.126   30.725   0.0000   0.0000  401.126   30.725  ?   ?   384.799   14.776      ?      ? 
1 1 1   14   18    3 o  260.588   6.7801  183.516   9.5344  186.689   13.898  180.695   13.105  262.708   9.7898  258.469   9.3828 4.239349 13.56016 
1 1 1   14   18    4 f  599.390   17.756  974.549   57.508  974.549   57.508   0.0000   0.0000  599.390   17.756  ?   ?       ?      ? 
1 1 1   14   18    5 o  821.138   14.719  1826.88   65.309   0.0000   0.0000  1826.88   65.309  ?   ?   821.138   14.719      ?      ? 
1 1 1   14   18    7 o  273.353   6.6467  201.923   9.8113  207.548   14.197  196.781   13.574  276.990   9.4853  269.716   9.3137 7.274200 13.29344 
1 1 1   14   18    8 o  154.232   9.4286   67.098   7.4340   55.090   12.046   74.484   9.4477  142.554   15.638  165.910   10.538 -23.35591 18.85716 
1 1 1   14   18    9 o  368.422   7.3632  360.052   13.892  389.640   24.244  345.588   16.951  379.390   11.826  357.454   8.7757 21.93530 14.72639 
1 1 1   14   18   10 o  142.824   9.9555   55.188   7.6834   0.0000   0.0000   55.188   7.6834  ?   ?   142.824   9.9555      ?      ? 
1 1 1   14   18   11 o  344.509   7.4948  320.922   13.952   0.0000   0.0000  320.922   13.952  ?   ?   344.509   7.4948      ?      ? 
1 1 1   14   18   12 o  709.991   13.348  1365.53   51.208   0.0000   0.0000  1365.53   51.208  ?   ?   709.991   13.348      ?      ? 
1 1 1   14   18   13 o  276.661   10.288  207.157   15.381   0.0000   0.0000  207.157   15.381  ?   ?   276.661   10.288      ?      ? 
1 1 1   14   18   15 o   55.063   23.272   0.6427   11.913   0.0000   0.0000   0.6427   11.913  ?   ?    55.063   23.272      ?      ? 
1 1 1   14   18   18 o  297.797   8.1193  239.947   13.065   0.0000   0.0000  239.947   13.065  ?   ?   297.797   8.1193      ?      ? 
1 1 1   14   18   19 o  133.219   16.234   48.261   11.686   0.0000   0.0000   48.261   11.686  ?   ?   133.219   16.234      ?      ? 
1 1 1   14   18   23 o  255.987   8.9305  178.020   12.341  187.770   17.491  168.356   17.414  263.002   12.307  248.973   12.944 14.02954 17.86093 
1 1 1   14   18   24 o  324.423   8.8149  285.756   15.447  297.072   22.128  275.000   21.574  330.695   12.383  318.150   12.549 12.54529 17.62987 
1 1 1   14   18   25 o  521.859   10.382  740.211   29.217  714.414   39.827  770.270   42.992  512.126   14.392  531.593   14.967 -19.46753 20.76335 
1 1 1   14   18   26 o  510.906   10.318  711.415   28.464  704.730   39.425  718.694   41.138  508.477   14.349  513.336   14.831 -4.859375 20.63575 
1 1 1   14   18   27 o  416.292   7.9270  470.752   16.855  471.622   29.039  470.310   20.698  416.186   12.912  416.398   9.1990 -0.2120667 15.85396 
1 1 1   14   18   28 o  202.008   8.1877  110.962   8.5346  111.216   14.393  110.824   10.599  201.980   13.187  202.037   9.7086 -0.5656433E-01 16.37531 
1 1 1   14   18   29 o  142.628   10.150   50.918   7.4315   72.117   13.309   41.314   8.9581  162.264   15.179  122.991   13.479 39.27244 20.29972 
1 1 1   14   18   30 o  427.682   8.5340  496.555   17.935  504.279   33.272  493.392   21.294  429.198   14.346  426.166   9.2469 3.031921 17.06798 
1 1 1   14   18   32 o  277.919   7.0475  203.925   10.332  183.324   13.020  238.964   16.980  259.663   9.2793  296.175   10.610 -36.51163 14.09508 
1 1 1   14   18   33 o  504.000   9.9841  692.077   27.191   0.0000   0.0000  692.077   27.191  ?   ?   504.000   9.9841      ?      ? 
1 1 1   14   18   34 o  413.353   8.9267  465.066   19.939   0.0000   0.0000  465.066   19.939  ?   ?   413.353   8.9267      ?      ? 
1 1 1   14   18   35 o  371.430   8.0275  394.885   15.117  320.045   24.764  439.331   19.084  341.147   13.434  401.713   8.7918 -60.56635 16.05501 
1 1 1   14   18   36 o   98.887   16.355   30.408   7.7092   23.311   16.091   32.523   8.7828   89.352   29.073  108.422   14.991 -19.06976 32.71019 
1 1 1   14   18   37 o  205.635   9.3984  113.193   9.4551  125.180   18.001  108.626   11.111  212.058   15.709  199.212   10.322 12.84625 18.79677 
1 1 1   14   18   38 o  108.854   15.474   43.369   7.8716   17.658   15.419   52.432   9.1544   79.808   28.404  137.900   12.285 -58.09129 30.94719 
1 1 1   14   18   39 o  263.801   9.8771  190.676   14.080   0.0000   0.0000  190.676   14.080  ?   ?   263.801   9.8771      ?      ? 
1 1 1   14   18   40 o  277.467   7.8506  210.049   11.771   0.0000   0.0000  210.049   11.771  ?   ?   277.467   7.8506      ?      ? 
1 1 1   14   18   41 o  215.544   7.9271  126.954   9.2330   0.0000   0.0000  126.954   9.2330  ?   ?   215.544   7.9271      ?      ? 
1 1 1   14   18   42 o  203.651   6.4936  115.704   6.9747  104.060   10.788  124.068   9.1427  194.297   10.275  213.006   7.9431 -18.70941 12.98721 
1 1 1   14   18   43 o   51.390   13.382   6.5172   4.9933   2.8166   8.2291   8.6737   6.2819   47.461   19.648   55.319   18.173 -7.857567 26.76365 
1 1 1   14   18   44 o  100.554   10.977   30.123   5.4295   25.962   9.0387   32.472   6.7912   93.110   18.615  107.997   11.637 -14.88677 21.95352 
1 1 1   14   18   45 o  154.573   7.2544   66.925   5.8622   63.239   9.4222   69.253   7.4879  150.527   11.584  158.618   8.7361 -8.091339 14.50874 
1 1 1   14   18   46 o   35.392   16.648  -7.3200   8.1687  -7.3200   8.1687   0.0000   0.0000   35.392   16.648  ?   ?       ?      ? 
1 1 1   14   18   47 o   41.122   12.153   0.6096   4.9251  -6.9123   7.9417   5.3103   6.2782   34.989   16.445   47.255   17.899 -12.26540 24.30666 
1 1 1   14   18   48 o   59.197   13.580   10.680   5.0735   7.1153   8.3296   12.782   6.3971   53.700   20.550   64.694   17.759 -10.99332 27.16077 
1 1 1   14   18   49 o  126.050   9.1285   46.499   5.9762   39.783   9.4026   51.050   7.7408  117.139   14.855  134.962   10.614 -17.82254 18.25700 
1 1 1   14   18   50 o   89.816   12.482   25.777   5.7379   19.120   9.0053   30.327   7.4448   76.892   21.055  102.740   13.410 -25.84710 24.96315 
1 1 1   14   18   51 o  157.893   7.6830   70.103   6.4782   74.894   10.078   66.730   8.4567  161.983   11.514  153.803   10.175 8.179916 15.36600 
1 1 1   14   18   52 o  115.264   9.9576   37.617   6.0625   50.839   9.5052   28.549   7.8715  132.255   13.300   98.274   14.823 33.98037 19.91515 
1 1 1   14   18   53 o   98.443   12.039   30.697   6.0079   22.825   9.0066   37.008   8.0642   83.817   20.137  113.068   13.199 -29.25019 24.07721 
1 1 1   14   18   54 o  140.606   8.5460   58.248   6.4666   57.173   9.5127   59.171   8.8172  138.817   12.682  142.394   11.459 -3.576385 17.09196 
1 1 1   14   18   55 o   48.602   14.043   5.8122   5.8372   6.8205   8.5519   4.9326   7.9870   50.370   20.339   46.834   19.370 3.536278 28.08681 
1 1 1   14   18   56 o   86.242   13.374   25.504   6.0671   28.924   8.8222   22.435   8.3570   92.524   18.294   79.960   19.513 12.56413 26.74744 
1 1 1   14   19    1 o  286.031   16.029  221.824   24.775   0.0000   0.0000  221.824   24.775  ?   ?   286.031   16.029      ?      ? 
1 1 1   14   19    2 o  591.149   8.2384  944.778   26.298  915.455   36.371  976.906   38.070  581.555   11.574  600.742   11.728 -19.18689 16.47684 
1 1 1   14   19    3 o  424.467   17.028  488.739   39.057  488.739   39.057   0.0000   0.0000  424.467   17.028  ?   ?       ?      ? 
1 1 1   14   19    4 o  675.427   9.0388  1234.52   32.978  1202.22   45.896  1269.00   47.416  666.303   12.747  684.550   12.818 -18.24713 18.07761 
1 1 1   14   19    6 o  584.589   11.431  925.106   36.109   0.0000   0.0000  925.106   36.109  ?   ?   584.589   11.431      ?      ? 
1 1 1   14   19    7 o  542.940   10.971  797.941   32.187   0.0000   0.0000  797.941   32.187  ?   ?   542.940   10.971      ?      ? 
1 1 1   14   19    8 o  363.847   7.0011  361.931   12.650  348.874   22.764  367.765   15.216  358.931   11.737  368.763   7.6362 -9.831207 14.00217 
1 1 1   14   19    9 o  682.776   10.369  1261.91   38.255   0.0000   0.0000  1261.91   38.255  ?   ?   682.776   10.369      ?      ? 
1 1 1   14   19   10 o  594.493   11.250  957.066   36.139   0.0000   0.0000  957.066   36.139  ?   ?   594.493   11.250      ?      ? 
1 1 1   14   19   11 o  918.668   16.364  2291.30   81.233   0.0000   0.0000  2291.30   81.233  ?   ?   918.668   16.364      ?      ? 
1 1 1   14   19   12 o  490.232   10.817  650.700   28.655   0.0000   0.0000  650.700   28.655  ?   ?   490.232   10.817      ?      ? 
1 1 1   14   19   13 o   50.807   18.873   5.3790   6.9088   0.0000   0.0000   5.3790   6.9088  ?   ?    50.807   18.873      ?      ? 
1 1 1   14   19   14 o  304.614   6.6148  250.925   10.888   0.0000   0.0000  250.925   10.888  ?   ?   304.614   6.6148      ?      ? 
1 1 1   14   19   15 o  649.441   11.976  1143.32   42.028   0.0000   0.0000  1143.32   42.028  ?   ?   649.441   11.976      ?      ? 
1 1 1   14   19   16 o  228.626   9.2253  141.528   11.397   0.0000   0.0000  141.528   11.397  ?   ?   228.626   9.2253      ?      ? 
1 1 1   14   19   17 o   81.977   15.857   18.891   6.7703   0.0000   0.0000   18.891   6.7703  ?   ?    81.977   15.857      ?      ? 
1 1 1   14   19   18 o  226.541   8.9957  138.966   11.012   0.0000   0.0000  138.966   11.012  ?   ?   226.541   8.9957      ?      ? 
1 1 1   14   19   19 o  189.711   7.5750   97.399   7.7654   0.0000   0.0000   97.399   7.7654  ?   ?   189.711   7.5750      ?      ? 
1 1 1   14   19   20 o  370.665   6.5632  371.699   13.146   0.0000   0.0000  371.699   13.146  ?   ?   370.665   6.5632      ?      ? 
1 1 1   14   19   21 o  501.806   8.1360  681.867   22.062   0.0000   0.0000  681.867   22.062  ?   ?   501.806   8.1360      ?      ? 
1 1 1   14   19   22 o  187.834   12.735   95.908   12.926   0.0000   0.0000   95.908   12.926  ?   ?   187.834   12.735      ?      ? 
1 1 1   14   19   23 o  379.240   7.0072  389.372   14.360   0.0000   0.0000  389.372   14.360  ?   ?   379.240   7.0072      ?      ? 
1 1 1   14   19   24 o  194.346   7.7839  104.691   6.9688   98.559   14.029  106.700   8.0294  190.212   13.649  198.480   7.4865 -8.268127 15.56780 
1 1 1   14   19   25 o  323.041   7.2854  277.669   11.670  297.748   21.603  269.395   13.868  330.814   12.085  315.267   8.1404 15.54718 14.57072 
1 1 1   14   19   26 o  123.835   10.212   41.971   6.8070   40.908   10.001   42.888   9.2917  122.305   15.132  125.365   13.716 -3.059883 20.42304 
1 1 1   14   19   27 o  346.244   8.7226  325.407   16.320   0.0000   0.0000  325.407   16.320  ?   ?   346.244   8.7226      ?      ? 
1 1 1   14   19   28 o   97.842   12.800   29.066   6.3834   14.772   9.3686   41.453   8.7210   72.496   21.995  123.188   13.101 -50.69248 25.60100 
1 1 1   14   19   30 o   66.153   17.412   10.251   7.5487   3.9122   16.573   11.910   8.4794   66.434   27.724   65.872   21.073 0.5627975 34.82361 
1 1 1   14   19   31 o  190.773   10.678  106.490   9.2481   88.221   18.281  112.773   10.721  178.046   19.001  203.500   9.7497 -25.45358 21.35668 
1 1 1   14   19   32 o  150.537   16.195   87.624   10.303   23.041   17.559  121.532   12.723   90.194   30.404  210.880   11.165 -120.6867 32.38913 
1 1 1   14   19   33 o  202.880   10.548  118.043   10.685  101.059   18.334  126.779   13.148  190.478   17.812  215.282   11.303 -24.80415 21.09540 
1 1 1   14   19   34 o  424.177   9.4735  496.105   21.637  447.072   30.509  545.721   30.690  402.681   14.021  445.673   12.744 -42.99191 18.94691 
1 1 1   14   19   35 o  108.242   12.421   33.348   7.0717   30.602   10.143   35.946   9.8645  102.843   18.950  113.641   16.064 -10.79832 24.84271 
1 1 1   14   19   36 o  197.683   8.7874  106.664   9.3868   0.0000   0.0000  106.664   9.3868  ?   ?   197.683   8.7874      ?      ? 
1 1 1   14   19   37 o  148.002   10.200   60.050   8.1573   0.0000   0.0000   60.050   8.1573  ?   ?   148.002   10.200      ?      ? 
1 1 1   14   19   38 o  201.140   8.5140  110.510   9.2538   0.0000   0.0000  110.510   9.2538  ?   ?   201.140   8.5140      ?      ? 
1 1 1   14   19   39 o  167.105   7.3309   77.382   6.4395   74.372   10.265   79.335   8.2691  164.031   11.581  170.179   8.9922 -6.147827 14.66189 
1 1 1   14   19   40 o  115.039   9.4385   36.952   5.7043   36.885   9.1914   36.994   7.2747  114.515   14.854  115.564   11.649 -1.048904 18.87692 
1 1 1   14   19   41 o  184.063   6.9820   94.495   6.7556   87.834   10.658   98.967   8.7342  178.117   11.074  190.009   8.5067 -11.89259 13.96390 
1 1 1   14   19   42 o  206.932   8.1185  117.385   9.0780   0.0000   0.0000  117.385   9.0780  ?   ?   206.932   8.1185      ?      ? 
1 1 1   14   19   43 o   63.307   13.835   12.046   5.1432   10.424   8.6561   12.930   6.3944   60.915   21.319   65.698   17.640 -4.782372 27.67067 
1 1 1   14   19   44 o   55.076   13.689   8.4334   5.0458   6.3123   8.2985   9.6775   6.3556   52.737   20.425   57.414   18.232 -4.676964 27.37827 
1 1 1   14   19   45 o  103.785   10.883   33.478   5.4650   23.705   8.7022   39.842   7.0225   88.075   18.854  119.495   10.876 -31.42019 21.76560 
1 1 1   14   19   46 o   61.331   13.991   10.463   5.1981   15.605   8.6020   7.5050   6.5239   70.481   21.007   52.182   18.486 18.29914 27.98290 
1 1 1   14   19   47 o  108.295   9.8175   33.388   5.6085   34.126   8.9793   32.916   7.1816  108.640   15.296  107.950   12.311 0.6896133 19.63492 
1 1 1   14   19   48 o   70.200   14.108   15.917   5.5917   13.483   9.1627   17.362   7.0586   65.476   21.963   74.923   17.714 -9.447487 28.21630 
1 1 1   14   19   49 o   54.624   14.365   8.1946   5.5541   8.0353   9.0989   8.2892   7.0120   55.460   21.413   53.789   19.154 1.670643 28.72940 
1 1 1   14   19   50 o   62.978   14.622   12.946   5.6969   12.321   9.1808   13.338   7.2648   61.827   21.927   64.129   19.349 -2.302147 29.24332 
1 1 1   14   19   51 f  187.774   7.2461  100.348   7.2389   93.448   11.002  105.616   9.6132  181.229   11.234  194.319   9.1551 -13.08990 14.49212 
1 1 1   14   19   52 o   41.367   13.010  -0.6607   5.8623  -3.2646   9.0837   1.1980   7.6744   40.412   18.498   42.321   18.299 -1.908947 26.01923 
1 1 1   14   19   53 o  153.062   7.9114   67.369   6.4889   77.648   9.9857   59.856   8.5372  162.841   11.348  143.283   11.026 19.55812 15.82277 
1 1 1   14   19   54 o   47.700   12.674  -1.2274   5.7912   16.178   8.6716 -15.2398   7.7806   67.597   21.277   27.802   13.776 39.79471 25.34745 
1 1 1   14   19   55 f   49.352   14.179   7.0793   5.8825   7.0727   8.9847   7.0842   7.7824   49.830   20.571   48.874   19.519 0.9564743 28.35793 
1 1 1   14   20    0 o  383.549   15.086  399.099   31.268   0.0000   0.0000  399.099   31.268  ?   ?   383.549   15.086      ?      ? 
1 1 1   14   20    1 o  172.430   9.1887   80.562   8.5518   85.881   12.210   75.441   11.981  178.027   12.692  166.833   13.290 11.19429 18.37748 
1 1 1   14   20    2 o  485.646   9.6995  645.744   23.202  623.874   42.366  655.113   27.730  479.365   16.355  491.927   10.432 -12.56122 19.39894 
1 1 1   14   20    3 o  442.844   7.1720  530.876   17.161  525.105   24.294  536.625   24.246  440.436   10.208  445.252   10.077 -4.815765 14.34399 
1 1 1   14   20    5 o  239.197   7.1529  154.952   9.2399  149.417   13.106  160.423   13.029  234.938   10.323  243.456   9.9040 -8.517929 14.30586 
1 1 1   14   20    6 o  104.530   13.878   30.670   7.5410   30.896   10.980   30.468   10.375  104.824   20.116  104.236   19.124 0.5880127 27.75613 
1 1 1   14   20    7 o  493.321   8.0494  663.777   19.293  648.423   36.155  669.890   22.813  489.041   13.682  497.602   8.4841 -8.561127 16.09872 
1 1 1   14   20    8 f  320.673   6.8076  282.901   10.864  266.441   19.355  290.472   13.127  313.634   11.420  327.712   7.4126 -14.07730 13.61517 
1 1 1   14   20    9 o  450.506   10.752  549.656   26.175   0.0000   0.0000  549.656   26.175  ?   ?   450.506   10.752      ?      ? 
1 1 1   14   20   10 o  257.025   7.0953  178.689   9.8545   0.0000   0.0000  178.689   9.8545  ?   ?   257.025   7.0953      ?      ? 
1 1 1   14   20   11 o  478.337   7.2725  618.990   18.798   0.0000   0.0000  618.990   18.798  ?   ?   478.337   7.2725      ?      ? 
1 1 1   14   20   12 o  476.662   7.2394  614.698   18.647   0.0000   0.0000  614.698   18.647  ?   ?   476.662   7.2394      ?      ? 
1 1 1   14   20   13 o  301.770   6.7133  246.335   10.947   0.0000   0.0000  246.335   10.947  ?   ?   301.770   6.7133      ?      ? 
1 1 1   14   20   14 o  225.051   8.8152  137.130   10.720   0.0000   0.0000  137.130   10.720  ?   ?   225.051   8.8152      ?      ? 
1 1 1   14   20   15 o   57.718   18.822   8.7609   6.7429   0.0000   0.0000   8.7609   6.7429  ?   ?    57.718   18.822      ?      ? 
1 1 1   14   20   16 o  220.536   12.656  132.026   15.083   0.0000   0.0000  132.026   15.083  ?   ?   220.536   12.656      ?      ? 
1 1 1   14   20   17 o  399.641   6.7703  432.138   14.621   0.0000   0.0000  432.138   14.621  ?   ?   399.641   6.7703      ?      ? 
1 1 1   14   20   18 o  291.039   6.7087  229.210   10.551   0.0000   0.0000  229.210   10.551  ?   ?   291.039   6.7087      ?      ? 
1 1 1   14   20   19 o  306.117   7.0589  253.658   11.677   0.0000   0.0000  253.658   11.677  ?   ?   306.117   7.0589      ?      ? 
1 1 1   14   20   20 o  331.526   6.6327  297.492   11.882   0.0000   0.0000  297.492   11.882  ?   ?   331.526   6.6327      ?      ? 
1 1 1   14   20   21 o  168.382   7.9646   76.816   7.2468   0.0000   0.0000   76.816   7.2468  ?   ?   168.382   7.9646      ?      ? 
1 1 1   14   20   22 o  217.503   11.942  128.666   14.035   0.0000   0.0000  128.666   14.035  ?   ?   217.503   11.942      ?      ? 
1 1 1   14   20   23 o  190.014   12.756   98.354   13.097   0.0000   0.0000   98.354   13.097  ?   ?   190.014   12.756      ?      ? 
1 1 1   14   20   24 o  348.242   7.5358  326.431   13.098  338.513   23.776  321.167   15.695  352.405   12.486  344.079   8.4413 8.325958 15.07155 
1 1 1   14   20   25 o  105.171   11.221   30.122   6.3768   0.0000   0.0000   30.122   6.3768  ?   ?   105.171   11.221      ?      ? 
1 1 1   14   20   26 o  302.530   9.2130  248.627   15.061   0.0000   0.0000  248.627   15.061  ?   ?   302.530   9.2130      ?      ? 
1 1 1   14   20   27 o  131.893   16.609   57.836   10.545   26.239   17.001   77.590   13.443   95.550   29.746  168.236   14.787 -72.68603 33.21872 
1 1 1   14   20   28 f  129.315   15.068   44.641   10.161   54.752   17.333   39.347   12.543  139.630   22.973  118.999   19.506 20.63135 30.13639 
1 1 1   14   20   29 o  184.111   12.087   96.446   11.096   86.644   19.364  101.239   13.540  176.024   20.358  192.199   13.037 -16.17456 24.17459 
1 1 1   14   20   30 o  260.243   10.070  190.371   13.615  170.450   21.860  202.995   17.402  248.139   16.303  272.347   11.825 -24.20834 20.13963 
1 1 1   14   20   31 o  146.209   14.983   66.849   10.233   45.248   17.132   78.829   12.758  123.205   26.519  169.213   13.953 -46.00715 29.96536 
1 1 1   14   20   32 o  203.345   9.8294  112.837   10.801   0.0000   0.0000  112.837   10.801  ?   ?   203.345   9.8294      ?      ? 
1 1 1   14   20   33 o   88.136   14.037   21.022   7.0389   9.4338   9.2506   36.959   10.848   61.313   21.982  114.960   17.463 -53.64720 28.07439 
1 1 1   14   20   34 o  102.749   12.060   30.646   6.3833   25.915   9.5783   34.426   8.5617   94.080   19.482  111.418   14.221 -17.33804 24.12008 
1 1 1   14   20   35 o  354.279   8.5432  342.561   16.355   0.0000   0.0000  342.561   16.355  ?   ?   354.279   8.5432      ?      ? 
1 1 1   14   20   36 o  181.917   7.1854   91.930   6.9448   83.191   10.521   98.678   9.2451  173.864   11.199  189.971   9.0061 -16.10677 14.37073 
1 1 1   14   20   37 o  171.381   7.4108   80.587   6.8073   82.404   10.353   79.202   9.0353  172.899   11.081  169.862   9.8437 3.037308 14.82168 
1 1 1   14   20   38 o   96.411   12.111   27.978   5.9275   21.424   9.1016   32.805   7.8112   84.387   20.224  108.436   13.331 -24.04918 24.22207 
1 1 1   14   20   39 o   96.296   11.110   25.542   5.6681   29.887   9.1777   22.863   7.2069  102.491   16.571   90.101   14.802 12.38951 22.21974 
1 1 1   14   20   40 o   55.782   14.232   7.9566   5.3229   9.1489   8.9017   7.2930   6.6409   58.987   21.505   52.576   18.649 6.411533 28.46490 
1 1 1   14   20   41 f  193.503   6.9956  105.166   7.1257   94.181   11.059  112.965   9.3180  184.168   11.112  202.837   8.5013 -18.66965 13.99122 
1 1 1   14   20   42 o   65.448   13.566   13.437   5.4374   6.6748   8.8436   17.548   6.8945   54.310   21.071   76.585   17.093 -22.27443 27.13230 
1 1 1   14   20   43 f  204.283   8.4034  114.864   9.2763   0.0000   0.0000  114.864   9.2763  ?   ?   204.283   8.4034      ?      ? 
1 1 1   14   20   44 o   43.787   13.131   1.7039   5.2370   1.6902   8.6501   1.7119   6.5800   46.126   19.676   41.448   17.395 4.678318 26.26233 
1 1 1   14   20   45 o   59.775   13.497   10.865   5.3557   3.9493   8.6111   15.228   6.8394   49.081   20.186   70.469   17.920 -21.38794 26.99302 
1 1 1   14   20   46 o  168.571   9.4006   78.897   8.5631   0.0000   0.0000   78.897   8.5631  ?   ?   168.571   9.4006      ?      ? 
1 1 1   14   20   47 o  117.207   10.162   40.889   6.0896   35.712   9.9649   43.975   7.6934  109.655   16.817  124.758   11.412 -15.10297 20.32368 
1 1 1   14   20   48 o  155.268   7.9492   68.634   6.4958   66.442   10.318   70.074   8.3607  152.338   12.534  158.198   9.7803 -5.859818 15.89840 
1 1 1   14   20   49 o  305.768   8.4275  260.675   13.924   0.0000   0.0000  260.675   13.924  ?   ?   305.768   8.4275      ?      ? 
1 1 1   14   20   50 f  132.587   9.5813   51.951   6.7064   45.258   10.150   57.137   8.9343  123.680   15.188  141.495   11.685 -17.81517 19.16268 
1 1 1   14   20   51 o  121.983   10.343   45.394   6.5511   35.237   9.8167   53.550   8.7963  107.492   16.901  136.475   11.928 -28.98309 20.68582 
1 1 1   14   20   52 o  121.399   10.779   47.691   6.4966   34.195   9.5748   59.205   8.8438  101.044   18.206  141.754   11.546 -40.71006 21.55794 
1 1 1   14   20   53 o   59.579   14.447   12.029   5.8719   7.5114   8.7011   15.806   7.9569   51.655   20.636   67.503   20.223 -15.84809 28.89326 
1 1 1   14   20   54 o   54.288   14.312   8.2818   6.0151   17.737   9.3598   1.6292   7.8510   67.597   22.182   40.980   18.093 26.61691 28.62475 
1 1 1   14   21    0 o  378.097   15.148  388.288   30.950   0.0000   0.0000  388.288   30.950  ?   ?   378.097   15.148      ?      ? 
1 1 1   14   21    1 o  298.121   10.256  253.621   13.959  218.086   27.769  265.636   16.147  283.019   18.157  313.222   9.5401 -30.20300 20.51103 
1 1 1   14   21    4 o  423.047   7.0159  484.126   16.028  465.608   22.212  504.245   23.152  414.618   9.9141  431.476   9.9299 -16.85864 14.03179 
1 1 1   14   21    5 o  774.298   10.044  1627.05   42.007  1587.70   58.405  1669.21   60.463  764.628   14.135  783.969   14.273 -19.34119 20.08770 
1 1 1   14   21    6 o  291.710   6.6841  230.237   10.531  237.146   15.191  223.845   14.611  295.916   9.5003  287.505   9.4049 8.411285 13.36817 
1 1 1   14   21    7 o  323.833   6.9766  288.403   11.381  271.847   19.830  296.536   13.898  316.639   11.590  331.027   7.7699 -14.38818 13.95322 
1 1 1   14   21    8 o  371.629   8.6881  373.898   17.447   0.0000   0.0000  373.898   17.447  ?   ?   371.629   8.6881      ?      ? 
1 1 1   14   21    9 o  374.873   11.024  380.948   22.332   0.0000   0.0000  380.948   22.332  ?   ?   374.873   11.024      ?      ? 
1 1 1   14   21   10 o  164.690   8.7374   73.438   7.7757   0.0000   0.0000   73.438   7.7757  ?   ?   164.690   8.7374      ?      ? 
1 1 1   14   21   11 o  538.974   7.7813  786.237   22.663   0.0000   0.0000  786.237   22.663  ?   ?   538.974   7.7813      ?      ? 
1 1 1   14   21   12 o  503.357   7.4806  685.711   20.347   0.0000   0.0000  685.711   20.347  ?   ?   503.357   7.4806      ?      ? 
1 1 1   14   21   13 o  224.989   7.4447  137.009   9.0510   0.0000   0.0000  137.009   9.0510  ?   ?   224.989   7.4447      ?      ? 
1 1 1   14   21   14 o  107.154   12.402   31.187   7.1808   0.0000   0.0000   31.187   7.1808  ?   ?   107.154   12.402      ?      ? 
1 1 1   14   21   15 o  147.225   11.264   58.839   8.9613   0.0000   0.0000   58.839   8.9613  ?   ?   147.225   11.264      ?      ? 
1 1 1   14   21   16 o  126.147   10.871   43.197   7.4103   0.0000   0.0000   43.197   7.4103  ?   ?   126.147   10.871      ?      ? 
1 1 1   14   21   17 o  155.310   17.572   66.019   14.748   0.0000   0.0000   66.019   14.748  ?   ?   155.310   17.572      ?      ? 
1 1 1   14   21   18 o  330.224   8.5468  295.585   15.251   0.0000   0.0000  295.585   15.251  ?   ?   330.224   8.5468      ?      ? 
1 1 1   14   21   19 f  433.720   9.2760  510.311   21.740   0.0000   0.0000  510.311   21.740  ?   ?   433.720   9.2760      ?      ? 
1 1 1   14   21   20 o  251.734   8.4695  171.839   11.521   0.0000   0.0000  171.839   11.521  ?   ?   251.734   8.4695      ?      ? 
1 1 1   14   21   21 o   92.025   16.964   23.955   8.1250   0.0000   0.0000   23.955   8.1250  ?   ?    92.025   16.964      ?      ? 
1 1 1   14   21   22 o  118.959   12.413   38.601   7.9792   0.0000   0.0000   38.601   7.9792  ?   ?   118.959   12.413      ?      ? 
1 1 1   14   21   23 o  250.029   8.3920  169.667   11.338   0.0000   0.0000  169.667   11.338  ?   ?   250.029   8.3920      ?      ? 
1 1 1   14   21   25 o   99.614   14.103   27.187   7.5915   0.0000   0.0000   27.187   7.5915  ?   ?    99.614   14.103      ?      ? 
1 1 1   14   21   26 o   46.388   13.376   1.0553   5.8956 -16.9212   11.846   6.9743   6.7973   39.424   18.960   53.351   18.873 -13.92704 26.75196 
1 1 1   14   21   27 o  426.331   8.1419  498.247   17.873  491.892   30.149  501.691   22.193  423.470   13.175  429.191   9.5692 -5.721466 16.28372 
1 1 1   14   21   28 o  281.785   8.9803  216.161   13.674   0.0000   0.0000  216.161   13.674  ?   ?   281.785   8.9803      ?      ? 
1 1 1   14   21   29 o  221.195   6.9441  133.445   8.2682  133.513   12.239  133.387   11.214  221.155   10.242  221.234   9.3802 -0.7849121E-01 13.88814 
1 1 1   14   21   30 o  215.259   6.9735  127.170   8.0366  107.258   11.344  147.231   11.387  198.081   10.599  232.438   9.0658 -34.35645 13.94694 
1 1 1   14   21   31 o  126.877   11.048   47.963   6.8703   32.122   10.375   60.333   9.1685  105.448   18.903  148.306   11.441 -42.85732 22.09548 
1 1 1   14   21   32 o  177.465   11.649   93.481   9.0706   78.468   18.786   98.045   10.358  165.704   20.980  189.226   10.130 -23.52164 23.29768 
1 1 1   14   21   33 o  182.764   12.709   92.275   12.551   0.0000   0.0000   92.275   12.551  ?   ?   182.764   12.709      ?      ? 
1 1 1   14   21   34 o  124.038   10.802   43.225   7.1951   45.922   9.8637   40.158   10.519  128.474   14.208  119.602   16.276 8.872101 21.60485 
1 1 1   14   21   35 o  190.818   7.2357   99.896   7.4094  101.351   11.186   98.759   9.8901  191.876   10.789  189.760   9.6451 2.116135 14.47149 
1 1 1   14   21   36 o   69.110   14.364   12.944   6.1315   22.087   9.2773   5.8527   8.1703   85.690   20.340   52.530   20.288 33.15988 28.72878 
1 1 1   14   21   37 o  107.590   10.682   32.773   6.1187   31.717   9.3962   33.550   8.0625  105.661   16.457  109.518   13.624 -3.856796 21.36427 
1 1 1   14   21   38 o  244.194   6.3215  164.103   8.2872  161.230   12.384  166.433   11.153  242.008   9.4696  246.379   8.3769 -4.370758 12.64302 
1 1 1   14   21   39 o   93.630   12.409   26.713   5.9286   21.018   9.2341   30.707   7.7328   82.813   20.694  104.446   13.701 -21.63219 24.81830 
1 1 1   14   21   40 o   52.327   14.265   6.0779   5.7962   2.8135   9.0905   8.3141   7.5240   49.051   20.506   55.603   19.836 -6.552048 28.53033 
1 1 1   14   21   41 o  153.467   8.1882   67.499   6.5919   56.272   10.031   76.034   8.7455  141.204   13.146  165.729   9.7656 -24.52434 16.37634 
1 1 1   14   21   42 o  142.578   8.3095   57.227   6.2459   56.058   9.9167   57.997   8.0412  140.758   13.038  144.398   10.306 -3.640182 16.61903 
1 1 1   14   21   43 o   51.851   13.887   6.6406   5.4412   3.2165   8.7461   8.8027   6.9499   48.292   20.145   55.411   19.119 -7.118919 27.77312 
1 1 1   14   21   44 o  126.503   8.9953   44.182   6.0678   53.155   9.5616   38.133   7.8513  136.888   12.926  116.117   12.513 20.77174 17.99061 
1 1 1   14   21   45 o  243.073   8.3490  163.397   10.966   0.0000   0.0000  163.397   10.966  ?   ?   243.073   8.3490      ?      ? 
1 1 1   14   21   46 o  107.985   11.608   36.357   6.1616   28.968   9.9185   41.000   7.8628   95.859   19.803  120.111   12.115 -24.25146 23.21501 
1 1 1   14   21   47 o   55.889   14.626   8.4080   5.8139   13.066   9.3031   5.4230   7.4473   63.497   22.108   48.281   19.154 15.21547 29.25113 
1 1 1   14   21   48 o  184.833   9.5265   95.926   9.5149   0.0000   0.0000   95.926   9.5149  ?   ?   184.833   9.5265      ?      ? 
1 1 1   14   21   49 o   93.625   13.069   29.823   6.4026   15.162   9.6434   41.379   8.5619   67.692   22.530  119.559   13.253 -51.86759 26.13861 
1 1 1   14   21   50 o   61.864   15.070   12.799   6.0354   14.559   9.3858   11.559   7.8809   64.652   22.223   59.077   20.361 5.575695 30.14004 
1 1 1   14   21   51 o   78.639   14.173   21.959   6.0019   20.300   9.5525   23.041   7.7148   73.897   22.163   83.382   17.671 -9.484825 28.34541 
1 1 1   14   21   52 o   68.641   13.661   14.235   5.9032   28.262   9.3840   5.0489   7.5940   91.035   19.652   46.246   18.981 44.78875 27.32170 
1 1 1   14   21   53 o   88.700   13.482   26.802   6.1980   32.639   9.7718   22.874   8.0170   96.432   19.424   80.968   18.701 15.46439 26.96346 
1 1 1   14   22    0 o  236.530   13.121  164.992   14.674  125.608   26.644  182.140   17.581  214.001   23.040  259.059   12.559 -45.05751 26.24113 
1 1 1   14   22    1 f  199.885   14.757  111.134   12.579  106.261   28.222  112.342   14.052  196.333   26.601  203.436   12.783 -7.102295 29.51347 
1 1 1   14   22    2 f  635.688   16.754  1100.68   57.550   0.0000   0.0000  1100.68   57.550  ?   ?   635.688   16.754      ?      ? 
1 1 1   14   22    3 o  390.203   12.590  413.288   26.546   0.0000   0.0000  413.288   26.546  ?   ?   390.203   12.590      ?      ? 
1 1 1   14   22    4 o  623.031   16.445  1057.21   55.363   0.0000   0.0000  1057.21   55.363  ?   ?   623.031   16.445      ?      ? 
1 1 1   14   22    5 o  287.599   7.8238  222.428   12.012  212.888   15.667  236.036   18.711  280.247   10.345  294.952   11.740 -14.70496 15.64767 
1 1 1   14   22    6 o  288.612   7.0927  224.035   10.633  231.982   17.812  219.635   13.254  292.439   11.271  284.785   8.6128 7.653687 14.18540 
1 1 1   14   22    7 o  324.965   7.1762  288.480   12.248  276.577   19.578  296.135   15.700  319.279   11.348  330.651   8.7872 -11.37259 14.35237 
1 1 1   14   22    8 o  183.468   11.346   91.344   11.249   0.0000   0.0000   91.344   11.249  ?   ?   183.468   11.346      ?      ? 
1 1 1   14   22   10 o  136.078   13.393   50.369   9.8485   0.0000   0.0000   50.369   9.8485  ?   ?   136.078   13.393      ?      ? 
1 1 1   14   22   11 o  235.752   9.9061  150.748   12.620   0.0000   0.0000  150.748   12.620  ?   ?   235.752   9.9061      ?      ? 
1 1 1   14   22   12 o  258.873   9.2012  181.698   12.871   0.0000   0.0000  181.698   12.871  ?   ?   258.873   9.2012      ?      ? 
1 1 1   14   22   13 o  229.456   9.6172  142.817   11.924   0.0000   0.0000  142.817   11.924  ?   ?   229.456   9.6172      ?      ? 
1 1 1   14   22   15 o   81.869   20.644   19.180   9.1307   0.0000   0.0000   19.180   9.1307  ?   ?    81.869   20.644      ?      ? 
1 1 1   14   22   17 o  184.680   10.464   92.697   10.443   0.0000   0.0000   92.697   10.443  ?   ?   184.680   10.464      ?      ? 
1 1 1   14   22   19 o  236.824   8.0493  152.156   10.301   0.0000   0.0000  152.156   10.301  ?   ?   236.824   8.0493      ?      ? 
1 1 1   14   22   21 f   83.479   15.112   19.674   6.5658   0.0000   0.0000   19.674   6.5658  ?   ?    83.479   15.112      ?      ? 
1 1 1   14   22   22 o  132.133   9.6848   47.482   6.9149   0.0000   0.0000   47.482   6.9149  ?   ?   132.133   9.6848      ?      ? 
1 1 1   14   22   23 o  136.308   9.3611   50.540   6.8950   0.0000   0.0000   50.540   6.8950  ?   ?   136.308   9.3611      ?      ? 
1 1 1   14   22   24 o  205.517   9.5745  115.013   10.633   0.0000   0.0000  115.013   10.633  ?   ?   205.517   9.5745      ?      ? 
1 1 1   14   22   25 o  181.457   7.8662   84.697   7.1938  104.752   13.279   76.366   8.5585  195.483   12.571  167.431   9.4596 28.05234 15.73244 
1 1 1   14   22   26 o  290.552   7.2550  227.714   10.501  237.387   19.143  223.550   12.559  294.365   12.035  286.739   8.1057 7.626312 14.51008 
1 1 1   14   22   27 o  181.967   8.4425   95.304   7.4691   79.730   13.347  102.406   9.0124  169.974   14.531  193.960   8.5989 -23.98584 16.88493 
1 1 1   14   22   28 o  148.185   9.9886   60.398   7.8218   61.667   12.484   59.578   10.036  149.142   15.491  147.227   12.615 1.914978 19.97717 
1 1 1   14   22   29 o   89.014   13.840   23.697   6.7529   13.446   9.7961   32.979   9.3215   69.201   22.692  108.826   15.851 -39.62508 27.68021 
1 1 1   14   22   30 f  121.212   14.448   40.804   9.4633   0.0000   0.0000   40.804   9.4633  ?   ?   121.212   14.448      ?      ? 
1 1 1   14   22   31 o   73.408   13.608   14.921   6.5939   0.6304   9.4893   28.263   9.1692   48.052   20.555   98.764   17.837 -50.71278 27.21556 
1 1 1   14   22   32 o  313.297   9.2826  297.784   13.934  207.027   23.869  344.703   17.162  271.515   16.269  355.078   8.9444 -83.56210 18.56529 
1 1 1   14   22   33 o   56.486   17.230   1.9306   7.7120   4.3829   17.803   1.3640   8.5566   66.354   28.264   46.617   19.714 19.73756 34.45984 
1 1 1   14   22   34 f  174.840   9.2051   85.043   8.5869   84.552   11.277   85.721   13.246  174.651   11.949  175.028   14.005 -0.3775940 18.41028 
1 1 1   14   22   35 o  230.684   11.926  147.658   14.867   0.0000   0.0000  147.658   14.867  ?   ?   230.684   11.926      ?      ? 
1 1 1   14   22   36 o  140.729   9.1412   56.327   6.8040   49.245   10.302   61.807   9.0616  132.164   14.425  149.294   11.232 -17.12935 18.28248 
1 1 1   14   22   37 o  139.141   8.9069   54.189   6.6511   53.839   9.9794   54.468   8.9213  138.449   13.339  139.833   11.807 -1.384460 17.81387 
1 1 1   14   22   38 f  228.448   8.8254  143.542   10.895   0.0000   0.0000  143.542   10.895  ?   ?   228.448   8.8254      ?      ? 
1 1 1   14   22   39 o  140.583   8.8899   56.774   6.5857   45.910   9.7322   65.951   8.9447  127.165   14.163  154.000   10.749 -26.83477 17.77983 
1 1 1   14   22   40 o   61.872   14.762   11.344   6.0319   7.3016   9.2773   14.305   7.9389   55.592   21.578   68.151   20.151 -12.55821 29.52378 
1 1 1   14   22   41 o  106.859   10.658   32.045   6.0674   38.574   9.6067   27.713   7.8257  115.532   15.388   98.185   14.750 17.34683 21.31553 
1 1 1   14   22   42 o  125.993   9.6277   46.852   6.2742   37.406   9.6954   53.658   8.2297  113.527   15.804  138.458   11.000 -24.93143 19.25541 
1 1 1   14   22   43 o   78.060   13.926   19.643   5.9461   15.206   9.1013   22.947   7.8541   69.237   21.799   86.883   17.337 -17.64636 27.85203 
1 1 1   14   22   44 o   52.932   14.343   4.9218   6.0156   13.437   9.5198  -0.7381   7.7615   65.323   22.385   40.540   17.939 24.78378 28.68621 
1 1 1   14   22   45 o   55.807   14.805   8.7384   6.0012   8.0323   9.4050   9.2234   7.7940   55.523   21.677   56.091   20.170 -0.5681152 29.60969 
1 1 1   14   22   46 o   78.141   14.612   20.530   6.1859   19.256   10.082   21.299   7.8337   74.596   22.855   81.685   18.212 -7.088570 29.22383 
1 1 1   14   22   47 o   48.606   13.802   4.0997   6.1094  -5.1232   9.9822   9.6234   7.7252   40.755   18.916   56.457   20.104 -15.70221 27.60448 
1 1 1   14   22   48 o   49.662   14.381   5.0406   6.2374   1.7797   9.6920   7.3460   8.1493   46.883   20.417   52.440   20.260 -5.557724 28.76293 
1 1 1   14   22   49 o   71.065   14.802   18.198   6.0067   18.998   9.3989   17.646   7.8097   71.295   22.104   70.835   19.692 0.4593124 29.60360 
1 1 1   14   22   50 o   44.683   13.531   2.9246   5.9187  -0.3446   9.1293   5.2951   7.7738   42.200   19.008   47.165   19.263 -4.965248 27.06249 
1 1 1   14   22   51 o   52.858   14.470   9.1324   5.8464   9.1393   9.0419   9.1274   7.6641   53.151   21.099   52.566   19.808 0.5856972 28.94016 
1 1 1   14   23    0 f  256.134   12.456  178.333   17.240   0.0000   0.0000  178.333   17.240  ?   ?   256.134   12.456      ?      ? 
1 1 1   14   23    1 o  260.711   8.7880  183.356   12.333  167.523   16.600  202.860   18.424  248.252   12.374  273.170   12.481 -24.91743 17.57590 
1 1 1   14   23    2 o  628.594   11.781  1076.58   39.942  1125.22   58.716  1034.69   54.494  641.660   16.934  615.527   16.384 26.13257 23.56244 
1 1 1   14   23    3 o  332.637   8.5659  300.893   15.389  308.559   21.618  293.018   21.911  336.974   11.872  328.301   12.351 8.672546 17.13184 
1 1 1   14   23    4 o  395.801   8.8325  425.716   18.884  440.991   27.083  411.261   26.345  402.716   12.445  388.886   12.537 13.82977 17.66497 
1 1 1   14   23    5 o  323.701   11.524  284.685   20.158  284.685   20.158   0.0000   0.0000  323.701   11.524  ?   ?       ?      ? 
1 1 1   14   23    6 o  265.645   7.6913  190.124   10.934  202.095   16.867  181.446   14.361  272.729   11.445  258.561   10.278 14.16803 15.38267 
1 1 1   14   23    8 o  678.377   13.313  1253.30   48.803   0.0000   0.0000  1253.30   48.803  ?   ?   678.377   13.313      ?      ? 
1 1 1   14   23    9 o  288.290   11.938  226.039   18.597   0.0000   0.0000  226.039   18.597  ?   ?   288.290   11.938      ?      ? 
1 1 1   14   23   10 o  150.223   9.9560   61.263   8.0818   0.0000   0.0000   61.263   8.0818  ?   ?   150.223   9.9560      ?      ? 
1 1 1   14   23   11 o  338.496   8.5162  310.705   15.577   0.0000   0.0000  310.705   15.577  ?   ?   338.496   8.5162      ?      ? 
1 1 1   14   23   12 o  270.913   7.9018  198.956   11.568   0.0000   0.0000  198.956   11.568  ?   ?   270.913   7.9018      ?      ? 
1 1 1   14   23   13 o  292.379   8.5844  231.936   13.563   0.0000   0.0000  231.936   13.563  ?   ?   292.379   8.5844      ?      ? 
1 1 1   14   23   14 o  187.341   8.1736   95.212   8.2744   0.0000   0.0000   95.212   8.2744  ?   ?   187.341   8.1736      ?      ? 
1 1 1   14   23   15 o  106.760   12.226   31.088   7.0528   0.0000   0.0000   31.088   7.0528  ?   ?   106.760   12.226      ?      ? 
1 1 1   14   23   16 o  132.109   10.268   47.473   7.3298   0.0000   0.0000   47.473   7.3298  ?   ?   132.109   10.268      ?      ? 
1 1 1   14   23   17 o  102.787   12.896   28.853   7.1627   0.0000   0.0000   28.853   7.1627  ?   ?   102.787   12.896      ?      ? 
1 1 1   14   23   18 o   55.031   18.740   7.7844   6.6719   0.0000   0.0000   7.7844   6.6719  ?   ?    55.031   18.740      ?      ? 
1 1 1   14   23   19 o  167.605   8.5436   76.306   7.7378   0.0000   0.0000   76.306   7.7378  ?   ?   167.605   8.5436      ?      ? 
1 1 1   14   23   20 o  146.401   9.1412   58.296   7.2316   0.0000   0.0000   58.296   7.2316  ?   ?   146.401   9.1412      ?      ? 
1 1 1   14   23   21 o  177.703   8.0814   85.804   7.7601   0.0000   0.0000   85.804   7.7601  ?   ?   177.703   8.0814      ?      ? 
1 1 1   14   23   22 o   98.652   12.314   26.665   6.5644   0.0000   0.0000   26.665   6.5644  ?   ?    98.652   12.314      ?      ? 
1 1 1   14   23   23 o  148.275   8.7724   59.842   7.0287   0.0000   0.0000   59.842   7.0287  ?   ?   148.275   8.7724      ?      ? 
1 1 1   14   23   24 o  179.109   8.2127   87.263   7.9487   0.0000   0.0000   87.263   7.9487  ?   ?   179.109   8.2127      ?      ? 
1 1 1   14   23   25 o  251.833   6.7367  172.178   9.1674   0.0000   0.0000  172.178   9.1674  ?   ?   251.833   6.7367      ?      ? 
1 1 1   14   23   26 o   47.974   13.990   0.4472   5.2819   7.8514   10.503  -2.0594   6.1109   60.439   23.089   35.508   15.805 24.93177 27.97994 
1 1 1   14   23   27 o   68.083   15.299   10.983   5.4078   18.561   11.883   9.0033   6.0731   79.488   24.888   56.678   17.801 22.81046 30.59888 
1 1 1   14   23   28 o   52.079   14.098   5.9599   5.2883   0.1375   10.875   7.7629   6.0520   50.586   21.828   53.573   17.849 -2.986443 28.19633 
1 1 1   14   23   29 o  218.907   7.3350  131.546   8.6704  129.163   12.425  133.809   12.105  216.899   10.601  220.915   10.140 -4.015564 14.66991 
1 1 1   14   23   30 o   57.727   14.080   4.9389   6.7196  -9.3467   9.8276   17.481   9.2084   38.887   18.282   76.568   21.417 -37.68091 28.15905 
1 1 1   14   23   31 o  206.083   10.125  116.744   11.275   0.0000   0.0000  116.744   11.275  ?   ?   206.083   10.125      ?      ? 
1 1 1   14   23   32 o  153.285   9.1017   66.122   7.4439   55.898   10.725   75.625   10.340  141.293   14.047  165.276   11.578 -23.98337 18.20350 
1 1 1   14   23   33 o   72.876   18.857   11.866   8.1794   22.928   18.109   9.0312   9.1680   86.334   30.776   59.418   21.800 26.91541 37.71497 
1 1 1   14   23   34 o  131.393   10.350   49.264   7.2531   44.338   10.781   53.337   9.8035  124.779   15.989  138.008   13.146 -13.22913 20.69963 
1 1 1   14   23   35 o  150.033   10.175   63.900   8.1061   65.284   10.612   61.959   12.561  152.657   12.864  147.408   15.769 5.248993 20.35062 
1 1 1   14   23   36 o  144.872   9.1969   59.795   7.0808   51.283   10.451   67.019   9.6273  134.596   14.369  155.149   11.483 -20.55232 18.39386 
1 1 1   14   23   37 o   56.072   14.221   6.4260   6.3863  -3.9523   9.4339   15.205   8.6768   41.849   19.038   70.295   21.131 -28.44636 28.44230 
1 1 1   14   23   38 o  101.201   12.292   29.942   6.5556   32.983   10.006   27.656   8.6772  106.208   17.435   96.193   17.331 10.01443 24.58367 
1 1 1   14   23   39 o  241.187   8.9551  160.841   11.671   0.0000   0.0000  160.841   11.671  ?   ?   241.187   8.9551      ?      ? 
1 1 1   14   23   40 o   65.465   15.021   12.769   6.0536   16.377   9.3713   10.185   7.9302   71.893   22.036   59.038   20.420 12.85564 30.04244 
1 1 1   14   23   41 o   72.598   14.720   15.883   6.0672   21.794   9.6008   11.952   7.8286   82.658   21.346   62.537   20.274 20.12046 29.43970 
1 1 1   14   23   42 o   57.985   14.373   7.1271   6.2233   18.211   9.5710  -0.9920   8.1914   74.685   22.135   41.284   18.341 33.40048 28.74676 
1 1 1   14   23   43 o   38.464   12.606  -5.5850   6.1653  -2.1449   9.4424  -8.1416   8.1401   42.760   19.289   34.167   16.234 8.592808 25.21127 
1 1 1   14   23   44 f  154.038   8.7093   68.583   7.1295   67.135   11.035   69.621   9.3407  151.700   13.462  156.376   11.054 -4.675415 17.41856 
1 1 1   14   23   45 o  144.992   9.2317   62.672   6.9537   52.029   10.776   70.267   9.1027  132.516   15.049  157.469   10.698 -24.95380 18.46339 
1 1 1   14   23   46 o  177.620   7.8510   88.055   7.4097   97.535   11.805   81.892   9.5182  184.811   11.821  170.428   10.335 14.38205 15.70203 
1 1 1   14   23   47 o   55.343   14.825   8.6537   6.1089   13.923   9.5899   5.0555   7.9248   63.327   22.416   47.358   19.408 15.96859 29.65030 
1 1 1   14   23   48 o   84.132   14.543   24.993   6.4572   25.467   10.307   24.686   8.2846   82.688   22.478   85.576   18.458 -2.887802 29.08515 
1 1 1   14   23   49 f   59.464   15.139   11.269   6.3088   17.568   9.7994   6.8095   8.2447   69.004   22.699   49.924   20.037 19.08054 30.27743 
1 1 1   14   23   50 o  115.109   10.572   41.512   6.4822   43.212   10.084   40.315   8.4623  115.775   16.118  114.444   13.684 1.330734 21.14354 
1 1 1   14   24    2 o  207.557   8.0150  117.198   8.9868  114.337   12.732  120.040   12.687  205.012   11.493  210.102   11.175 -5.089645 16.02991 
1 1 1   14   24    3 o  254.166   7.3310  174.537   10.039  193.090   14.820  158.808   13.646  266.587   10.288  241.745   10.446 24.84190 14.66194 
1 1 1   14   24    4 o  113.082   12.069   35.034   7.3632   32.381   10.204   37.916   10.636  108.590   17.389  117.575   16.741 -8.984146 24.13785 
1 1 1   14   24    5 o  235.290   7.3277  147.578   8.9173  160.338   15.240  140.935   10.996  242.695   11.621  227.886   8.9298 14.80893 14.65534 
1 1 1   14   24    6 o  205.675   7.5118  117.516   7.8097  107.770   13.407  122.522   9.6083  198.829   12.478  212.522   8.3667 -13.69269 15.02351 
1 1 1   14   24    7 o  438.517   9.3253  522.270   22.097   0.0000   0.0000  522.270   22.097  ?   ?   438.517   9.3253      ?      ? 
1 1 1   14   24    8 o  381.673   8.8275  395.491   18.206   0.0000   0.0000  395.491   18.206  ?   ?   381.673   8.8275      ?      ? 
1 1 1   14   24    9 o  317.678   6.9020  273.492   11.848   0.0000   0.0000  273.492   11.848  ?   ?   317.678   6.9020      ?      ? 
1 1 1   14   24   10 o  304.390   7.7398  251.296   12.731   0.0000   0.0000  251.296   12.731  ?   ?   304.390   7.7398      ?      ? 
1 1 1   14   24   11 o  211.354   7.8401  121.167   8.9541   0.0000   0.0000  121.167   8.9541  ?   ?   211.354   7.8401      ?      ? 
1 1 1   14   24   12 o  249.385   7.1536  168.592   9.6402   0.0000   0.0000  168.592   9.6402  ?   ?   249.385   7.1536      ?      ? 
1 1 1   14   24   13 o  123.331   11.166   41.439   7.4417   0.0000   0.0000   41.439   7.4417  ?   ?   123.331   11.166      ?      ? 
1 1 1   14   24   14 o  226.032   9.8424  138.983   12.022   0.0000   0.0000  138.983   12.022  ?   ?   226.032   9.8424      ?      ? 
1 1 1   14   24   15 o  270.413   12.208  199.782   17.838   0.0000   0.0000  199.782   17.838  ?   ?   270.413   12.208      ?      ? 
1 1 1   14   24   16 o  438.601   9.3700  523.440   22.207   0.0000   0.0000  523.440   22.207  ?   ?   438.601   9.3700      ?      ? 
1 1 1   14   24   17 o  159.564   9.0451   69.278   7.7990   0.0000   0.0000   69.278   7.7990  ?   ?   159.564   9.0451      ?      ? 
1 1 1   14   24   18 o  116.339   11.654   37.023   7.3262   0.0000   0.0000   37.023   7.3262  ?   ?   116.339   11.654      ?      ? 
1 1 1   14   24   19 o  216.855   7.5302  127.740   8.8240   0.0000   0.0000  127.740   8.8240  ?   ?   216.855   7.5302      ?      ? 
1 1 1   14   24   20 o  126.485   10.465   43.690   7.1530   0.0000   0.0000   43.690   7.1530  ?   ?   126.485   10.465      ?      ? 
1 1 1   14   24   21 o   91.998   13.526   23.295   6.7242   0.0000   0.0000   23.295   6.7242  ?   ?    91.998   13.526      ?      ? 
1 1 1   14   24   22 o   99.743   12.410   27.328   6.6886   0.0000   0.0000   27.328   6.6886  ?   ?    99.743   12.410      ?      ? 
1 1 1   14   24   23 o  109.348   10.954   32.764   6.4724   0.0000   0.0000   32.764   6.4724  ?   ?   109.348   10.954      ?      ? 
1 1 1   14   24   24 o   57.006   17.607   9.1654   5.9698   0.0000   0.0000   9.1654   5.9698  ?   ?    57.006   17.607      ?      ? 
1 1 1   14   24   25 o  103.222   11.723   29.327   6.5387   0.0000   0.0000   29.327   6.5387  ?   ?   103.222   11.723      ?      ? 
1 1 1   14   24   26 o  228.801   7.0588  142.443   8.7272   0.0000   0.0000  142.443   8.7272  ?   ?   228.801   7.0588      ?      ? 
1 1 1   14   24   27 o  112.641   10.902   31.046   5.8232   45.473   12.271   26.853   6.6155  126.721   17.921   98.561   12.421 28.16003 21.80461 
1 1 1   14   24   28 o   61.296   14.343   11.026   5.4100   3.9527   11.391   13.085   6.1475   55.804   23.110   66.787   16.993 -10.98269 28.68514 
1 1 1   14   24   29 o  151.716   8.7973   59.139   6.0435   73.041   13.249   55.487   6.7912  161.115   15.218  142.317   8.8309 18.79854 17.59454 
1 1 1   14   24   30 o   87.971   14.898   23.731   7.0964   17.713   10.217   29.341   9.8642   76.424   22.920   99.517   19.037 -23.09369 29.79500 
1 1 1   14   24   31 o  130.231   10.663   47.815   7.4984   49.873   10.858   45.939   10.367  132.890   15.121  127.572   15.039 5.318336 21.32652 
1 1 1   14   24   32 o  100.574   13.086   29.846   6.9439   27.443   9.9086   32.165   9.7340   95.317   19.881  105.832   17.021 -10.51466 26.17216 
1 1 1   14   24   33 o   99.656   13.679   30.667   7.1557   16.577   10.100   44.868   10.140   73.537   22.933  125.775   14.919 -52.23862 27.35841 
1 1 1   14   24   34 o  118.747   16.789   45.557   8.7332   40.158   18.561   47.092   9.8971  108.493   30.428  129.001   14.198 -20.50845 33.57784 
1 1 1   14   24   35 o   60.920   16.105   6.3636   7.7192  -2.2693   10.060   18.723   12.037   44.943   20.121   76.897   25.151 -31.95454 32.20919 
1 1 1   14   24   36 o  101.900   15.085   31.536   7.9583   26.760   10.329   38.514   12.485   92.550   21.119  111.249   21.547 -18.69891 30.17097 
1 1 1   14   24   37 o  169.135   8.3739   79.939   7.6104   85.263   11.511   75.805   10.144  173.872   12.252  164.399   11.419 9.472366 16.74773 
1 1 1   14   24   38 o  145.930   9.1991   60.897   7.1690   56.693   10.742   64.274   9.6262  140.725   14.127  151.135   11.787 -10.41010 18.39824 
1 1 1   14   24   39 o  170.479   8.3301   82.584   7.5923   75.024   11.222   88.965   10.310  162.609   12.772  178.348   10.698 -15.73943 16.66019 
1 1 1   14   24   40 o   76.512   14.930   19.119   6.4567   15.749   9.6075   21.895   8.7193   69.824   22.441   83.201   19.699 -13.37778 29.86066 
1 1 1   14   24   41 o  107.771   12.015   34.334   6.7483   43.036   10.226   27.620   8.9816  121.037   15.635   94.505   18.249 26.53191 24.03037 
1 1 1   14   24   42 o   63.041   14.891   12.614   6.3641   6.4176   9.3131   18.042   8.7169   52.383   21.199   73.700   20.917 -21.31690 29.78119 
1 1 1   14   24   43 o  127.186   10.378   48.726   6.9521   40.370   10.331   55.642   9.3987  115.535   16.548  138.836   12.528 -23.30060 20.75506 
1 1 1   14   24   44 o   82.012   14.889   22.719   6.7268   18.008   10.252   26.281   8.9143   72.863   23.157   91.161   18.723 -18.29812 29.77884 
1 1 1   14   24   45 o   47.398   13.987   3.3158   6.2729  -2.4523   9.4393   7.8778   8.3946   41.600   18.970   53.196   20.560 -11.59603 27.97437 
1 1 1   14   24   46 o   52.428   14.909   8.0690   6.4886   11.880   9.7816   5.0742   8.6710   57.799   22.234   47.058   19.870 10.74139 29.81869 
1 1 1   14   24   47 f   57.824   15.276   10.982   6.3620   12.302   9.7639   10.009   8.3868   59.967   22.405   55.681   20.772 4.286110 30.55245 
1 1 1   14   24   48 o   73.124   14.831   20.207   6.4866   13.999   9.5457   25.533   8.8415   60.985   22.264   85.262   19.601 -24.27646 29.66267 
1 1 1   14   25    0 o  123.385   11.841   41.884   7.8789   38.527   11.051   45.354   11.236  118.284   17.290  128.486   16.183 -10.20241 23.68235 
1 1 1   14   25    1 o  157.760   9.7319   68.088   8.2281   79.960   11.870   57.107   11.416  171.127   12.836  144.393   14.631 26.73390 19.46381 
1 1 1   14   25    2 o  178.053   8.7672   86.490   8.4343   84.652   11.846   88.379   12.011  176.129   12.447  179.978   12.350 -3.849167 17.53441 
1 1 1   14   25    3 o  275.949   9.9075  207.051   14.773   0.0000   0.0000  207.051   14.773  ?   ?   275.949   9.9075      ?      ? 
1 1 1   14   25    4 f  150.442   9.3328   64.930   7.0935   51.914   11.650   72.599   8.9423  137.511   15.678  163.373   10.129 -25.86125 18.66566 
1 1 1   14   25    5 o  187.969   7.6185   91.409   7.3072  110.766   13.111   82.688   8.8006  201.504   12.041  174.434   9.3367 27.06955 15.23705 
1 1 1   14   25    6 o  123.325   12.267   41.514   8.1750   0.0000   0.0000   41.514   8.1750  ?   ?   123.325   12.267      ?      ? 
1 1 1   14   25    7 o   84.066   17.387   20.185   7.6375   0.0000   0.0000   20.185   7.6375  ?   ?    84.066   17.387      ?      ? 
1 1 1   14   25    8 o  460.622   9.7475  577.232   24.262   0.0000   0.0000  577.232   24.262  ?   ?   460.622   9.7475      ?      ? 
1 1 1   14   25    9 o  126.535   11.322   43.681   7.7414   0.0000   0.0000   43.681   7.7414  ?   ?   126.535   11.322      ?      ? 
1 1 1   14   25   10 o  177.334   8.8815   85.499   8.5108   0.0000   0.0000   85.499   8.5108  ?   ?   177.334   8.8815      ?      ? 
1 1 1   14   25   11 o  218.409   10.257  130.018   12.105   0.0000   0.0000  130.018   12.105  ?   ?   218.409   10.257      ?      ? 
1 1 1   14   25   12 o  190.162   8.3862   98.304   8.6174   0.0000   0.0000   98.304   8.6174  ?   ?   190.162   8.3862      ?      ? 
1 1 1   14   25   13 o  121.256   11.420   40.198   7.4825   0.0000   0.0000   40.198   7.4825  ?   ?   121.256   11.420      ?      ? 
1 1 1   14   25   14 o  290.392   12.284  231.072   19.276   0.0000   0.0000  231.072   19.276  ?   ?   290.392   12.284      ?      ? 
1 1 1   14   25   15 o  253.678   7.2052  174.740   9.8768   0.0000   0.0000  174.740   9.8768  ?   ?   253.678   7.2052      ?      ? 
1 1 1   14   25   16 o  183.117   16.049   92.911   15.880   0.0000   0.0000   92.911   15.880  ?   ?   183.117   16.049      ?      ? 
1 1 1   14   25   17 o   77.757   16.866   17.422   6.8829   0.0000   0.0000   17.422   6.8829  ?   ?    77.757   16.866      ?      ? 
1 1 1   14   25   18 o  204.409   8.4785  113.764   9.3650   0.0000   0.0000  113.764   9.3650  ?   ?   204.409   8.4785      ?      ? 
1 1 1   14   25   19 o  121.269   10.978   40.285   7.1939   0.0000   0.0000   40.285   7.1939  ?   ?   121.269   10.978      ?      ? 
1 1 1   14   25   20 o  133.315   10.125   48.636   7.2936   0.0000   0.0000   48.636   7.2936  ?   ?   133.315   10.125      ?      ? 
1 1 1   14   25   21 o  193.382   7.8584  101.870   8.2117   0.0000   0.0000  101.870   8.2117  ?   ?   193.382   7.8584      ?      ? 
1 1 1   14   25   22 o   73.299   17.215   15.679   6.7025   0.0000   0.0000   15.679   6.7025  ?   ?    73.299   17.215      ?      ? 
1 1 1   14   25   23 o   93.866   13.379   24.418   6.7863   0.0000   0.0000   24.418   6.7863  ?   ?    93.866   13.379      ?      ? 
1 1 1   14   25   24 o  135.239   9.3131   50.061   6.8059   0.0000   0.0000   50.061   6.8059  ?   ?   135.239   9.3131      ?      ? 
1 1 1   14   25   25 o  149.605   8.9887   61.265   7.2666   0.0000   0.0000   61.265   7.2666  ?   ?   149.605   8.9887      ?      ? 
1 1 1   14   25   26 o   39.914   16.779   1.0658   6.1392   0.0000   0.0000   1.0658   6.1392  ?   ?    39.914   16.779      ?      ? 
1 1 1   14   25   27 o   76.567   15.707   17.102   6.2807   0.0000   0.0000   17.102   6.2807  ?   ?    76.567   15.707      ?      ? 
1 1 1   14   25   28 o  112.370   10.768   31.909   5.7409   43.964   11.964   28.304   6.5433  123.785   17.887  100.955   11.995 22.83010 21.53618 
1 1 1   14   25   29 o   86.101   14.096   22.964   5.6923   19.811   12.025   23.874   6.4621   79.820   25.045   92.383   12.945 -12.56248 28.19226 
1 1 1   14   25   30 o  193.793   7.9837  108.931   7.0567   95.405   14.051  113.492   8.1603  183.873   14.142  203.713   7.4131 -19.84036 15.96732 
1 1 1   14   25   31 o  264.714   9.6870  193.366   13.857   0.0000   0.0000  193.366   13.857  ?   ?   264.714   9.6870      ?      ? 
1 1 1   14   25   32 o  150.718   9.4958   63.528   7.6967   72.598   11.460   56.074   10.388  160.538   13.210  140.898   13.644 19.64012 18.99157 
1 1 1   14   25   33 o  129.252   10.943   48.024   7.6238   46.956   11.098   48.979   10.491  127.578   16.098  130.927   14.829 -3.349495 21.88685 
1 1 1   14   25   34 o  172.693   13.441   93.921   9.8907   78.378   20.873   98.421   11.232  157.694   24.495  187.692   11.074 -29.99812 26.88238 
1 1 1   14   25   35 o  135.238   16.356   63.762   9.2937   45.946   18.861   69.475   10.680  113.765   30.184  156.710   12.612 -42.94489 32.71270 
1 1 1   14   25   36 o  142.536   11.114   57.720   8.3781   53.334   10.650   64.842   13.571  136.328   14.457  148.744   16.885 -12.41586 22.22809 
1 1 1   14   25   37 o   81.383   15.567   21.190   7.0317   24.332   10.277   18.424   9.6416   87.063   21.873   75.704   22.157 11.35957 31.13442 
1 1 1   14   25   38 o   50.196   14.719   4.0585   6.6468   0.9755   9.7641   6.7211   9.0738   46.917   20.460   53.474   21.165 -6.556797 29.43770 
1 1 1   14   25   39 o  156.113   12.171   69.337   10.268   0.0000   0.0000   69.337   10.268  ?   ?   156.113   12.171      ?      ? 
1 1 1   14   25   40 o  106.912   12.643   35.343   7.1364   38.219   10.245   32.632   9.9463  112.319   16.880  101.505   18.827 10.81415 25.28608 
1 1 1   14   25   41 o   59.280   14.108   7.5015   6.8114  -6.8964   9.6767   21.641   9.5896   38.470   18.104   80.090   21.644 -41.61944 28.21694 
1 1 1   14   25   42 o   80.198   15.132   21.884   7.0417   13.838   10.337   28.849   9.6184   65.271   23.255   95.126   19.370 -29.85541 30.26498 
1 1 1   14   25   43 o  218.328   10.086  134.640   11.899   0.0000   0.0000  134.640   11.899  ?   ?   218.328   10.086      ?      ? 
1 1 1   14   25   44 o   43.407   13.610   0.3399   6.5230   6.2758   9.5234  -4.9062   8.9529   49.744   20.904   37.069   17.435 12.67476 27.22056 
1 1 1   14   25   45 f  104.567   12.602   35.503   6.8720   31.717   10.035   38.846   9.4299   96.869   19.839  112.265   15.544 -15.39584 25.20353 
1 1 1   14   25   46 o   49.576   14.547   5.8097   6.4790   10.427   9.6805   2.0634   8.7199   55.709   21.921   43.444   19.130 12.26471 29.09402 
1 1 1   14   26    0 o   58.297   15.846   6.4777   7.1847   9.8386   9.6829   2.3609   10.717   63.027   22.501   53.567   22.318 9.460697 31.69242 
1 1 1   14   26    1 o   78.089   15.987   17.613   7.0991   17.769   9.4492   17.410   10.757   78.276   21.624   77.902   23.553 0.3743896 31.97369 
1 1 1   14   26    2 o   41.479   13.378  -5.7965   6.6810  -3.5641   9.2956  -8.1821   9.6090   43.242   19.352   39.717   18.476 3.525562 26.75566 
1 1 1   14   26    3 f   75.102   14.310   17.078   5.9215   11.867   10.218   19.714   7.2661   67.228   23.183   82.977   16.782 -15.74924 28.61925 
1 1 1   14   26    4 o  312.003   6.9501  261.990   10.796  273.874   19.718  256.902   12.902  316.485   11.530  307.521   7.7644 8.963959 13.90025 
1 1 1   14   26    5 o   69.480   15.044   13.464   6.0133   14.432   9.9911   12.914   7.5299   71.740   22.867   67.220   19.554 4.520485 30.08738 
1 1 1   14   26    6 o  120.453   12.068   39.733   7.8552   0.0000   0.0000   39.733   7.8552  ?   ?   120.453   12.068      ?      ? 
1 1 1   14   26    7 o  132.833   10.368   48.156   7.4418   0.0000   0.0000   48.156   7.4418  ?   ?   132.833   10.368      ?      ? 
1 1 1   14   26    8 o  143.610   9.9368   56.249   7.7112   0.0000   0.0000   56.249   7.7112  ?   ?   143.610   9.9368      ?      ? 
1 1 1   14   26    9 o  156.088   9.5571   66.411   8.0609   0.0000   0.0000   66.411   8.0609  ?   ?   156.088   9.5571      ?      ? 
1 1 1   14   26   10 o  101.990   13.640   28.623   7.5174   0.0000   0.0000   28.623   7.5174  ?   ?   101.990   13.640      ?      ? 
1 1 1   14   26   11 o  155.355   9.5566   65.813   8.0226   0.0000   0.0000   65.813   8.0226  ?   ?   155.355   9.5566      ?      ? 
1 1 1   14   26   12 o  265.769   7.1861  191.865   10.320   0.0000   0.0000  191.865   10.320  ?   ?   265.769   7.1861      ?      ? 
1 1 1   14   26   13 o  192.357   8.2333  100.705   8.5580   0.0000   0.0000  100.705   8.5580  ?   ?   192.357   8.2333      ?      ? 
1 1 1   14   26   14 o  168.081   8.8426   77.009   8.0313   0.0000   0.0000   77.009   8.0313  ?   ?   168.081   8.8426      ?      ? 
1 1 1   14   26   15 o   72.995   18.205   15.542   7.1564   0.0000   0.0000   15.542   7.1564  ?   ?    72.995   18.205      ?      ? 
1 1 1   14   26   16 o   70.226   18.143   14.400   6.9337   0.0000   0.0000   14.400   6.9337  ?   ?    70.226   18.143      ?      ? 
1 1 1   14   26   17 o  120.375   12.089   39.920   7.8632   0.0000   0.0000   39.920   7.8632  ?   ?   120.375   12.089      ?      ? 
1 1 1   14   26   18 o  164.419   8.7578   73.817   7.7810   0.0000   0.0000   73.817   7.7810  ?   ?   164.419   8.7578      ?      ? 
1 1 1   14   26   19 o  148.449   9.5124   60.311   7.6306   0.0000   0.0000   60.311   7.6306  ?   ?   148.449   9.5124      ?      ? 
1 1 1   14   26   20 o   69.483   18.546   14.188   7.0933   0.0000   0.0000   14.188   7.0933  ?   ?    69.483   18.546      ?      ? 
1 1 1   14   26   21 o  142.747   9.4439   55.826   7.2847   0.0000   0.0000   55.826   7.2847  ?   ?   142.747   9.4439      ?      ? 
1 1 1   14   26   22 o   58.339   18.700   9.6475   6.6744   0.0000   0.0000   9.6475   6.6744  ?   ?    58.339   18.700      ?      ? 
1 1 1   14   26   23 f   78.213   16.444   17.914   6.7292   0.0000   0.0000   17.914   6.7292  ?   ?    78.213   16.444      ?      ? 
1 1 1   14   26   24 o  105.827   11.523   31.009   6.5894   0.0000   0.0000   31.009   6.5894  ?   ?   105.827   11.523      ?      ? 
1 1 1   14   26   25 o   56.110   18.556   8.8367   6.5452   0.0000   0.0000   8.8367   6.5452  ?   ?    56.110   18.556      ?      ? 
1 1 1   14   26   26 o  162.509   11.890   73.484   10.441   0.0000   0.0000   73.484   10.441  ?   ?   162.509   11.890      ?      ? 
1 1 1   14   26   27 o   42.653   17.244   2.7897   6.1548   0.0000   0.0000   2.7897   6.1548  ?   ?    42.653   17.244      ?      ? 
1 1 1   14   26   28 o  165.911   8.8409   71.582   6.6845   87.545   14.475   67.255   7.5362  175.447   15.268  156.375   8.9186 19.07260 17.68184 
1 1 1   14   26   29 o  113.765   12.726   41.816   6.1220   31.306   12.336   45.251   7.0516   99.697   23.315  127.833   10.208 -28.13583 25.45161 
1 1 1   14   26   30 o  178.134   8.8505   92.653   7.6982   80.270   13.735   98.325   9.2955  167.498   15.175  188.771   9.1128 -21.27293 17.70096 
1 1 1   14   26   31 o  133.055   10.210   51.086   6.2512   49.302   12.555   51.675   7.2082  129.565   17.932  136.544   9.7694 -6.979752 20.42073 
1 1 1   14   26   32 o   74.722   16.097   17.638   7.1660   14.234   9.9574   21.295   10.321   67.958   22.895   81.486   22.632 -13.52832 32.19339 
1 1 1   14   26   33 o  126.961   10.972   47.105   7.4213   39.141   10.596   54.773   10.397  115.484   16.980  138.438   13.899 -22.95372 21.94316 
1 1 1   14   26   34 o   61.930   15.981   10.937   7.0004   8.9996   10.088   12.736   9.7224   58.911   22.599   64.948   22.601 -6.037006 31.96128 
1 1 1   14   26   35 o   59.346   17.856   6.6093   8.4756   2.7500   20.153   7.4385   9.3420   63.487   28.447   55.206   21.590 8.280987 35.71238 
1 1 1   14   26   36 o   45.934   14.284   0.2828   6.8297  -0.1248   10.239   0.6095   9.1672   46.591   20.611   45.277   19.783 1.313465 28.56894 
1 1 1   14   26   37 o   59.368   16.167   9.0068   7.8422   15.009   10.359   0.9466   12.003   68.082   23.350   50.654   22.367 17.42765 32.33414 
1 1 1   14   26   38 o  197.437   8.0233  111.503   8.5277  101.401   12.100  121.472   12.020  187.994   11.911  206.880   10.753 -18.88551 16.04654 
1 1 1   14   26   39 o   72.958   16.268   18.223   7.2342   21.143   10.287   15.366   10.175   78.389   22.870   67.528   23.142 10.86125 32.53644 
1 1 1   14   26   40 o  174.679   12.251   87.494   11.564   0.0000   0.0000   87.494   11.564  ?   ?   174.679   12.251      ?      ? 
1 1 1   14   26   41 o   50.498   14.985   3.9671   7.0953   8.8186   10.128  -0.7092   9.9433   56.523   22.364   44.472   19.950 12.05111 29.96935 
1 1 1   14   26   42 o  191.160   11.099  106.733   11.465   0.0000   0.0000  106.733   11.465  ?   ?   191.160   11.099      ?      ? 
1 1 1   14   26   43 o   59.669   15.650   11.752   6.8265   16.442   10.101   7.8084   9.2619   66.853   23.050   52.485   21.176 14.36740 31.30052 
1 1 1   14   26   44 o   93.135   14.058   31.060   7.0268   21.112   10.416   39.369   9.5191   74.148   23.316  112.122   15.712 -37.97336 28.11558 
1 1 1   14   26   45 o   57.080   15.357   11.034   6.8285   17.998   10.140   5.2557   9.2371   66.904   23.093   47.255   20.249 19.64872 30.71334 
1 1 1   14   27    0 o  112.864   25.399   39.756   17.508   34.572   26.869   43.581   23.080  107.582   37.565  118.147   34.195 -10.56550 50.79803 
1 1 1   14   27    1 o   88.353   21.277   21.950   10.040   13.597   27.573   23.227   10.780   87.965   36.143   88.741   22.461 -0.7765045 42.55367 
1 1 1   14   27    2 o  243.213   7.3245  161.434   9.6171  151.918   13.372  171.629   13.841  235.761   10.496  250.665   10.219 -14.90309 14.64909 
1 1 1   14   27    3 o  117.983   10.554   38.145   6.5535   40.068   10.645   36.972   8.3165  120.070   16.407  115.897   13.279 4.172981 21.10743 
1 1 1   14   27    4 o  192.715   7.6019   99.937   7.5780  107.297   12.909   96.068   9.3605  197.727   12.082  187.703   9.2287 10.02411 15.20374 
1 1 1   14   27    5 o   43.176   17.979   1.4546   6.9489   0.0000   0.0000   1.4546   6.9489  ?   ?    43.176   17.979      ?      ? 
1 1 1   14   27    6 o  182.158   8.7031   90.418   8.5666   0.0000   0.0000   90.418   8.5666  ?   ?   182.158   8.7031      ?      ? 
1 1 1   14   27    7 o  148.000   9.9244   59.861   7.9370   0.0000   0.0000   59.861   7.9370  ?   ?   148.000   9.9244      ?      ? 
1 1 1   14   27    8 o  173.205   8.9976   81.850   8.4212   0.0000   0.0000   81.850   8.4212  ?   ?   173.205   8.9976      ?      ? 
1 1 1   14   27    9 o  132.775   10.983   48.354   7.8796   0.0000   0.0000   48.354   7.8796  ?   ?   132.775   10.983      ?      ? 
1 1 1   14   27   10 o  336.386   7.7615  308.125   14.108   0.0000   0.0000  308.125   14.108  ?   ?   336.386   7.7615      ?      ? 
1 1 1   14   27   11 o   99.971   13.314   27.644   7.1925   0.0000   0.0000   27.644   7.1925  ?   ?    99.971   13.314      ?      ? 
1 1 1   14   27   12 o  120.374   11.547   39.863   7.5109   0.0000   0.0000   39.863   7.5109  ?   ?   120.374   11.547      ?      ? 
1 1 1   14   27   13 o   92.579   14.796   23.865   7.4021   0.0000   0.0000   23.865   7.4021  ?   ?    92.579   14.796      ?      ? 
1 1 1   14   27   14 o  329.737   12.216  300.038   21.767   0.0000   0.0000  300.038   21.767  ?   ?   329.737   12.216      ?      ? 
1 1 1   14   27   15 o   77.161   18.191   17.495   7.4611   0.0000   0.0000   17.495   7.4611  ?   ?    77.161   18.191      ?      ? 
1 1 1   14   27   16 o  137.897   10.215   52.197   7.6120   0.0000   0.0000   52.197   7.6120  ?   ?   137.897   10.215      ?      ? 
1 1 1   14   27   17 o  210.551   10.328  121.837   11.750   0.0000   0.0000  121.837   11.750  ?   ?   210.551   10.328      ?      ? 
1 1 1   14   27   18 o  207.570   7.8386  117.641   8.7921   0.0000   0.0000  117.641   8.7921  ?   ?   207.570   7.8386      ?      ? 
1 1 1   14   27   19 o   95.906   13.645   25.691   7.0713   0.0000   0.0000   25.691   7.0713  ?   ?    95.906   13.645      ?      ? 
1 1 1   14   27   20 o  238.135   8.7202  155.384   11.221   0.0000   0.0000  155.384   11.221  ?   ?   238.135   8.7202      ?      ? 
1 1 1   14   27   21 o   71.176   17.439   15.023   6.6544   0.0000   0.0000   15.023   6.6544  ?   ?    71.176   17.439      ?      ? 
1 1 1   14   27   22 o   46.505   18.267   4.1482   6.7109   0.0000   0.0000   4.1482   6.7109  ?   ?    46.505   18.267      ?      ? 
1 1 1   14   27   23 f  153.729   9.0757   64.996   7.5392   0.0000   0.0000   64.996   7.5392  ?   ?   153.729   9.0757      ?      ? 
1 1 1   14   27   24 o   54.784   18.551   8.3708   6.5373   0.0000   0.0000   8.3708   6.5373  ?   ?    54.784   18.551      ?      ? 
1 1 1   14   27   25 o  179.853   11.195   89.890   10.880   0.0000   0.0000   89.890   10.880  ?   ?   179.853   11.195      ?      ? 
1 1 1   14   27   26 o   88.004   13.741   21.878   6.5344   0.0000   0.0000   21.878   6.5344  ?   ?    88.004   13.741      ?      ? 
1 1 1   14   27   27 o  114.654   11.039   36.627   6.8391   0.0000   0.0000   36.627   6.8391  ?   ?   114.654   11.039      ?      ? 
1 1 1   14   27   28 o   65.394   17.892   12.973   6.5059   0.0000   0.0000   12.973   6.5059  ?   ?    65.394   17.892      ?      ? 
1 1 1   14   27   29 f   43.117   13.385  -0.3699   5.3473   2.1901   10.318  -1.3100   6.2525   50.074   21.427   36.160   16.046 13.91320 26.76966 
1 1 1   14   27   30 o   55.987   14.454   8.7799   5.7647   1.3088   11.393   11.351   6.6834   50.857   22.142   61.118   18.585 -10.26081 28.90792 
1 1 1   14   27   31 o   81.746   14.581   20.487   5.8477   21.811   11.656   20.042   6.7599   81.496   24.490   81.996   15.830 -0.5002213 29.16113 
1 1 1   14   27   32 o   61.934   14.826   11.768   5.6336   7.9324   11.559   12.964   6.4518   58.871   23.690   64.996   17.832 -6.124348 29.65161 
1 1 1   14   27   33 o   65.960   16.400   13.617   7.2520   14.167   9.9759   13.000   10.561   66.884   22.915   65.037   23.468 1.847343 32.79961 
1 1 1   14   27   34 o   72.813   16.428   17.335   7.3566   14.352   10.258   20.494   10.556   67.133   23.224   78.493   23.242 -11.36032 32.85670 
1 1 1   14   27   35 o  151.429   13.860   66.612   11.341   0.0000   0.0000   66.612   11.341  ?   ?   151.429   13.860      ?      ? 
1 1 1   14   27   36 o   52.581   16.863   1.6980   8.8827  -2.0514   19.809   2.6416   9.9377   57.058   26.539   48.103   20.811 8.954693 33.72509 
1 1 1   14   27   37 o   43.951   14.460  -8.0967   8.1831 -14.8594   10.512   2.3063   13.037   35.202   17.148   52.700   23.289 -17.49818 28.92072 
1 1 1   14   27   38 o  162.224   13.059   86.610   10.008  111.540   13.287   53.919   15.215  197.040   12.479  127.408   22.944 69.63227 26.11792 
1 1 1   14   27   39 f  120.659   16.970   44.697   11.064   0.0000   0.0000   44.697   11.064  ?   ?   120.659   16.970      ?      ? 
1 1 1   14   27   40 o   75.478   16.315   21.944   7.2841   23.798   10.475   20.209   10.136   78.642   23.117   72.313   23.030 6.329269 32.63070 
1 1 1   14   27   41 o   85.721   15.653   26.531   7.3581   23.202   10.630   29.593   10.195   79.034   23.302   92.409   20.906 -13.37477 31.30622 
1 1 1   14   27   42 o   43.524   13.806  -1.5708   7.1811 -10.5441   10.313   6.8757   10.005   35.957   17.390   51.092   21.446 -15.13488 27.61122 
1 1 1   14   27   43 o   50.592   14.589   4.5224   7.0249   16.436   10.376  -5.5588   9.5451   63.971   23.234   37.213   17.651 26.75817 29.17860 
1 1 1   14   28    0 o   82.407   20.010   16.573   9.0057   14.099   10.032   26.847   20.442   70.330   22.959   94.484   32.778 -24.15471 40.01901 
1 1 1   14   28    1 o   60.503   19.892 -16.9912   16.297 -38.2207   25.985  -3.2252   20.925   55.564   27.043   65.443   29.179 -9.879543 39.78358 
1 1 1   14   28    2 o  131.661   15.128   48.318   10.763   0.0000   0.0000   48.318   10.763  ?   ?   131.661   15.128      ?      ? 
1 1 1   14   28    3 o   44.903   20.467  -5.7188   10.972   0.0000   0.0000  -5.7188   10.972  ?   ?    44.903   20.467      ?      ? 
1 1 1   14   28    4 o   64.851   23.706   10.597   10.827   0.0000   0.0000   10.597   10.827  ?   ?    64.851   23.706      ?      ? 
1 1 1   14   28    5 o   57.506   22.210   6.9284   9.7913   0.0000   0.0000   6.9284   9.7913  ?   ?    57.506   22.210      ?      ? 
1 1 1   14   28    6 o  196.752   11.588  106.607   12.320   0.0000   0.0000  106.607   12.320  ?   ?   196.752   11.588      ?      ? 
1 1 1   14   28    7 o   94.478   15.304   24.938   7.8130   0.0000   0.0000   24.938   7.8130  ?   ?    94.478   15.304      ?      ? 
1 1 1   14   28    8 o  214.883   8.0232  125.944   9.3162   0.0000   0.0000  125.944   9.3162  ?   ?   214.883   8.0232      ?      ? 
1 1 1   14   28    9 o   34.646   16.012  -5.2042   7.0392   0.0000   0.0000  -5.2042   7.0392  ?   ?    34.646   16.012      ?      ? 
1 1 1   14   28   10 o   61.107   19.330   10.644   7.1499   0.0000   0.0000   10.644   7.1499  ?   ?    61.107   19.330      ?      ? 
1 1 1   14   28   11 o  278.935   8.5631  212.708   12.907   0.0000   0.0000  212.708   12.907  ?   ?   278.935   8.5631      ?      ? 
1 1 1   14   28   12 o  125.985   11.366   43.822   7.7379   0.0000   0.0000   43.822   7.7379  ?   ?   125.985   11.366      ?      ? 
1 1 1   14   28   13 o  232.096   7.6694  147.059   9.6188   0.0000   0.0000  147.059   9.6188  ?   ?   232.096   7.6694      ?      ? 
1 1 1   14   28   14 o   47.695   18.549   4.5260   6.8664   0.0000   0.0000   4.5260   6.8664  ?   ?    47.695   18.549      ?      ? 
1 1 1   14   28   15 o  120.857   11.349   40.410   7.4119   0.0000   0.0000   40.410   7.4119  ?   ?   120.857   11.349      ?      ? 
1 1 1   14   28   16 f  143.493   10.126   56.715   7.8515   0.0000   0.0000   56.715   7.8515  ?   ?   143.493   10.126      ?      ? 
1 1 1   14   28   17 o   37.695   16.777  -1.9041   6.8845   0.0000   0.0000  -1.9041   6.8845  ?   ?    37.695   16.777      ?      ? 
1 1 1   14   28   18 o   40.440   17.343   0.3753   6.7854   0.0000   0.0000   0.3753   6.7854  ?   ?    40.440   17.343      ?      ? 
1 1 1   14   28   19 o   65.416   18.687   12.804   6.9341   0.0000   0.0000   12.804   6.9341  ?   ?    65.416   18.687      ?      ? 
1 1 1   14   28   20 o  186.165   8.4503   95.128   8.5008   0.0000   0.0000   95.128   8.5008  ?   ?   186.165   8.4503      ?      ? 
1 1 1   14   28   21 o  103.016   12.804   29.738   7.1273   0.0000   0.0000   29.738   7.1273  ?   ?   103.016   12.804      ?      ? 
1 1 1   14   28   22 o  250.490   8.5032  172.426   11.510   0.0000   0.0000  172.426   11.510  ?   ?   250.490   8.5032      ?      ? 
1 1 1   14   28   23 o  132.404   10.529   48.679   7.5332   0.0000   0.0000   48.679   7.5332  ?   ?   132.404   10.529      ?      ? 
1 1 1   14   28   24 o   85.720   15.602   21.653   6.9606   0.0000   0.0000   21.653   6.9606  ?   ?    85.720   15.602      ?      ? 
1 1 1   14   28   25 o  252.880   8.6752  176.347   11.855   0.0000   0.0000  176.347   11.855  ?   ?   252.880   8.6752      ?      ? 
1 1 1   14   28   26 o  140.566   9.7128   54.839   7.3776   0.0000   0.0000   54.839   7.3776  ?   ?   140.566   9.7128      ?      ? 
1 1 1   14   28   27 o  171.700   8.5005   81.372   7.8868   0.0000   0.0000   81.372   7.8868  ?   ?   171.700   8.5005      ?      ? 
1 1 1   14   28   28 f  130.753   10.109   47.593   7.1422   0.0000   0.0000   47.593   7.1422  ?   ?   130.753   10.109      ?      ? 
1 1 1   14   28   29 o  102.195   12.786   29.643   7.0610   0.0000   0.0000   29.643   7.0610  ?   ?   102.195   12.786      ?      ? 
1 1 1   14   28   30 o  160.440   9.0309   73.703   6.9156   72.635   13.241   74.104   8.1095  157.601   15.548  163.279   9.1913 -5.677673 18.06179 
1 1 1   14   28   31 o  203.758   7.9518  116.501   7.6999  118.491   14.993  115.787   8.9736  202.856   13.678  204.661   8.1142 -1.805145 15.90368 
1 1 1   14   28   32 o   74.171   14.972   13.135   6.1043   31.959   12.040   6.6212   7.0821   97.944   23.120   50.398   19.030 47.54601 29.94421 
1 1 1   14   28   33 o  195.318   8.4607  108.686   7.5829  110.968   15.504  107.968   8.6937  193.583   14.821  197.053   8.1646 -3.469955 16.92144 
1 1 1   14   28   34 o  102.665   14.699   35.243   7.9562   44.170   10.963   25.308   11.565  120.584   16.824   84.746   24.107 35.83837 29.39716 
1 1 1   14   28   35 f  125.629   12.309   48.118   8.2499   39.896   11.583   56.582   11.753  113.451   18.894  137.807   15.783 -24.35570 24.61891 
1 1 1   14   28   36 o   46.028   15.815 -12.4707   9.7614  -9.2905   20.730 -13.3768   11.065   54.762   25.986   37.294   18.031 17.46793 31.62936 
1 1 1   14   28   37 o   44.037   14.376  -2.8495   8.0210  -4.9018   11.581  -0.9574   11.120   42.823   20.041   45.252   20.618 -2.428356 28.75285 
1 1 1   14   28   38 o   52.201   15.950   0.4004   8.4072 -10.0422   10.424   19.840   14.222   36.355   17.559   68.046   26.632 -31.69062 31.89924 
1 1 1   14   28   39 o   52.260   15.146   6.6071   7.0258   11.464   10.027   1.9233   9.8470   58.663   22.524   45.857   20.253 12.80588 30.29100 
1 1 1   14   28   40 o   77.243   15.728   22.706   7.3703   31.120   10.484   14.484   10.363   92.694   21.369   61.791   23.083 30.90319 31.45543 
1 1 1   14   29    0 o   94.976   14.194   26.584   7.2580   17.176   9.9906   37.100   10.562   75.620   22.662  114.332   17.096 -38.71178 28.38715 
1 1 1   14   29    1 o  162.166   8.9357   74.979   7.5146   64.887   11.963   81.556   9.6578  152.198   14.546  172.134   10.383 -19.93681 17.87146 
1 1 1   14   29    2 o   39.982   12.861  -4.4496   6.1284  -8.4550   9.5625  -1.6579   7.9834   38.752   18.159   41.213   18.218 -2.460789 25.72241 
1 1 1   14   29    3 o   83.095   13.692   20.429   6.0190   22.928   8.9850   18.395   8.1068   87.693   19.469   78.497   19.257 9.195869 27.38382 
1 1 1   14   29    4 o  185.818   9.0065   94.651   9.0434   0.0000   0.0000   94.651   9.0434  ?   ?   185.818   9.0065      ?      ? 
1 1 1   14   29    5 f  166.278   10.540   76.213   9.4701   0.0000   0.0000   76.213   9.4701  ?   ?   166.278   10.540      ?      ? 
1 1 1   14   29    6 o  122.164   16.641   42.378   10.985   0.0000   0.0000   42.378   10.985  ?   ?   122.164   16.641      ?      ? 
1 1 1   14   29    7 o   44.146   20.305  -6.4891   11.128   0.0000   0.0000  -6.4891   11.128  ?   ?    44.146   20.305      ?      ? 
1 1 1   14   29    8 o   51.388   21.657   2.3846   10.270   0.0000   0.0000   2.3846   10.270  ?   ?    51.388   21.657      ?      ? 
1 1 1   14   29   10 o  111.292   18.478   35.677   11.113   0.0000   0.0000   35.677   11.113  ?   ?   111.292   18.478      ?      ? 
1 1 1   14   29   11 o   56.442   22.968   5.4025   11.000   0.0000   0.0000   5.4025   11.000  ?   ?    56.442   22.968      ?      ? 
1 1 1   14   29   12 o   81.021   23.051   20.317   10.573   0.0000   0.0000   20.317   10.573  ?   ?    81.021   23.051      ?      ? 
1 1 1   14   29   13 o   78.595   23.860   19.172   11.023   0.0000   0.0000   19.172   11.023  ?   ?    78.595   23.860      ?      ? 
1 1 1   14   29   14 o  218.604   9.2826  131.573   10.965   0.0000   0.0000  131.573   10.965  ?   ?   218.604   9.2826      ?      ? 
1 1 1   14   29   15 o   61.717   19.526   11.203   7.2954   0.0000   0.0000   11.203   7.2954  ?   ?    61.717   19.526      ?      ? 
1 1 1   14   29   16 o   86.390   16.148   21.924   7.2610   0.0000   0.0000   21.924   7.2610  ?   ?    86.390   16.148      ?      ? 
1 1 1   14   29   17 o   96.601   14.217   26.397   7.4212   0.0000   0.0000   26.397   7.4212  ?   ?    96.601   14.217      ?      ? 
1 1 1   14   29   18 o  219.987   10.391  134.188   12.352   0.0000   0.0000  134.188   12.352  ?   ?   219.987   10.391      ?      ? 
1 1 1   14   29   19 o   98.215   13.881   27.338   7.3670   0.0000   0.0000   27.338   7.3670  ?   ?    98.215   13.881      ?      ? 
1 1 1   14   29   20 o  158.642   10.183   69.859   8.7291   0.0000   0.0000   69.859   8.7291  ?   ?   158.642   10.183      ?      ? 
1 1 1   14   29   21 o   68.229   18.649   14.245   7.0721   0.0000   0.0000   14.245   7.0721  ?   ?    68.229   18.649      ?      ? 
1 1 1   14   29   22 o  105.041   12.543   31.153   7.1194   0.0000   0.0000   31.153   7.1194  ?   ?   105.041   12.543      ?      ? 
1 1 1   14   29   23 o  121.274   11.460   41.288   7.5099   0.0000   0.0000   41.288   7.5099  ?   ?   121.274   11.460      ?      ? 
1 1 1   14   29   24 o  176.458   8.8105   86.078   8.4010   0.0000   0.0000   86.078   8.4010  ?   ?   176.458   8.8105      ?      ? 
1 1 1   14   29   25 o  119.006   11.808   39.861   7.5930   0.0000   0.0000   39.861   7.5930  ?   ?   119.006   11.808      ?      ? 
1 1 1   14   29   26 o  210.669   8.3478  122.585   9.5030   0.0000   0.0000  122.585   9.5030  ?   ?   210.669   8.3478      ?      ? 
1 1 1   14   29   27 o   46.091   18.547   4.1158   7.0847   0.0000   0.0000   4.1158   7.0847  ?   ?    46.091   18.547      ?      ? 
1 1 1   14   29   28 o  138.960   10.493   54.192   7.8790   0.0000   0.0000   54.192   7.8790  ?   ?   138.960   10.493      ?      ? 
1 1 1   14   29   29 o   48.350   18.765   5.5920   7.0159   0.0000   0.0000   5.5920   7.0159  ?   ?    48.350   18.765      ?      ? 
1 1 1   14   29   30 o   76.983   22.656   20.320   10.056   0.0000   0.0000   20.320   10.056  ?   ?    76.983   22.656      ?      ? 
1 1 1   14   29   31 o   75.316   15.580   16.823   6.3222   27.545   11.812   12.518   7.4845   88.447   24.071   62.185   19.789 26.26252 31.16078 
1 1 1   14   29   32 o   35.361   12.187 -13.8168   6.3647  -5.0495   11.628 -17.5673   7.6052   44.120   20.456   26.602   13.254 17.51744 24.37487 
1 1 1   14   29   33 o  101.100   14.874   30.769   7.1431   39.887   13.913   27.504   8.3239  107.656   24.471   94.543   16.914 13.11246 29.74728 
1 1 1   14   29   34 o   70.439   16.399   14.142   6.4943   26.847   13.156   10.049   7.4675   84.407   26.149   56.472   19.799 27.93509 32.79873 
1 1 1   14   29   35 o   98.222   16.471   36.807   8.6689   31.689   12.773   41.178   11.803   88.481   25.390  107.962   20.988 -19.48029 32.94159 
1 1 1   14   29   36 o   49.401   14.985   4.0465   7.3297  -0.6959   10.168   9.1760   10.575   43.528   19.787   55.274   22.509 -11.74589 29.97022 
1 1 1   14   29   37 o   45.675   14.932  -2.8995   9.0126 -27.5676   18.797   4.4646   10.270   42.342   21.054   49.007   21.179 -6.665398 29.86310 
1 1 1   14   29   38 f   41.983   14.231  -7.0518   8.1611 -10.6479   9.7516   1.3550   14.910   34.343   16.680   49.624   23.062 -15.28141 28.46200 
1 1 1   14   30    0 o  168.116   8.5238   79.115   7.3925   77.365   12.363   80.089   9.2229  165.880   13.793  170.353   10.019 -4.473328 17.04750 
1 1 1   14   30    1 o   88.521   14.365   23.791   6.6044   23.784   10.589   23.796   8.4490   87.646   22.304   89.396   18.111 -1.750031 28.73080 
1 1 1   14   30    2 o   74.874   14.936   17.293   6.2247   15.633   10.253   18.262   7.8336   71.898   23.191   77.850   18.828 -5.951881 29.87123 
1 1 1   14   30    3 o   66.738   19.710   13.365   7.5992   0.0000   0.0000   13.365   7.5992  ?   ?    66.738   19.710      ?      ? 
1 1 1   14   30    4 o   97.408   14.276   26.783   7.5142   0.0000   0.0000   26.783   7.5142  ?   ?    97.408   14.276      ?      ? 
1 1 1   14   30    5 f   36.927   16.583  -2.4319   6.8884   0.0000   0.0000  -2.4319   6.8884  ?   ?    36.927   16.583      ?      ? 
1 1 1   14   30    6 o  238.602   8.2602  156.151   10.650   0.0000   0.0000  156.151   10.650  ?   ?   238.602   8.2602      ?      ? 
1 1 1   14   30    7 o  165.305   9.5266   75.323   8.5097   0.0000   0.0000   75.323   8.5097  ?   ?   165.305   9.5266      ?      ? 
1 1 1   14   30    8 o  189.929   11.501  100.353   11.804   0.0000   0.0000  100.353   11.804  ?   ?   189.929   11.501      ?      ? 
1 1 1   14   30    9 o   95.752   15.167   26.063   7.8476   0.0000   0.0000   26.063   7.8476  ?   ?    95.752   15.167      ?      ? 
1 1 1   14   30   10 o  121.154   12.010   40.975   7.8629   0.0000   0.0000   40.975   7.8629  ?   ?   121.154   12.010      ?      ? 
1 1 1   14   30   11 o   72.918   18.949   16.143   7.5348   0.0000   0.0000   16.143   7.5348  ?   ?    72.918   18.949      ?      ? 
1 1 1   14   30   12 o   54.183   19.592   7.7499   7.3663   0.0000   0.0000   7.7499   7.3663  ?   ?    54.183   19.592      ?      ? 
1 1 1   14   30   13 o  101.549   29.191   35.096   16.871   0.0000   0.0000   35.096   16.871  ?   ?   101.549   29.191      ?      ? 
1 1 1   14   30   14 o   39.147   18.678 -11.9860   11.010   0.0000   0.0000 -11.9860   11.010  ?   ?    39.147   18.678      ?      ? 
1 1 1   14   30   15 o   40.761   19.223  -9.5952   11.019   0.0000   0.0000  -9.5952   11.019  ?   ?    40.761   19.223      ?      ? 
1 1 1   14   30   16 o   71.747   24.944   15.940   11.841   0.0000   0.0000   15.940   11.841  ?   ?    71.747   24.944      ?      ? 
1 1 1   14   30   17 o  136.147   17.107   54.241   12.585   0.0000   0.0000   54.241   12.585  ?   ?   136.147   17.107      ?      ? 
1 1 1   14   30   18 o   74.443   24.817   17.806   11.699   0.0000   0.0000   17.806   11.699  ?   ?    74.443   24.817      ?      ? 
1 1 1   14   30   19 o   92.362   24.082   27.980   12.143   0.0000   0.0000   27.980   12.143  ?   ?    92.362   24.082      ?      ? 
1 1 1   14   30   20 o  116.180   21.195   42.134   12.816   0.0000   0.0000   42.134   12.816  ?   ?   116.180   21.195      ?      ? 
1 1 1   14   30   21 o   51.295   22.467   0.9211   11.888   0.0000   0.0000   0.9211   11.888  ?   ?    51.295   22.467      ?      ? 
1 1 1   14   30   22 o   94.734   23.941   29.625   12.261   0.0000   0.0000   29.625   12.261  ?   ?    94.734   23.941      ?      ? 
1 1 1   14   30   23 o  101.060   24.417   34.218   13.185   0.0000   0.0000   34.218   13.185  ?   ?   101.060   24.417      ?      ? 
1 1 1   14   30   24 o  121.380   20.064   45.441   13.160   0.0000   0.0000   45.441   13.160  ?   ?   121.380   20.064      ?      ? 
1 1 1   14   30   25 o   42.211   20.016 -10.1526   12.253   0.0000   0.0000 -10.1526   12.253  ?   ?    42.211   20.016      ?      ? 
1 1 1   14   30   26 o  120.983   19.640   45.685   12.839   0.0000   0.0000   45.685   12.839  ?   ?   120.983   19.640      ?      ? 
1 1 1   14   30   27 o   50.745   22.428   1.9880   12.096   0.0000   0.0000   1.9880   12.096  ?   ?    50.745   22.428      ?      ? 
1 1 1   14   30   28 o   58.975   24.094   9.1517   12.165   0.0000   0.0000   9.1517   12.165  ?   ?    58.975   24.094      ?      ? 
1 1 1   14   30   31 o   73.720   25.775   20.035   12.651   0.0000   0.0000   20.035   12.651  ?   ?    73.720   25.775      ?      ? 
1 1 1   14   30   32 o   45.765   14.974  -2.8907   9.1961   4.8153   11.788 -14.8716   14.699   50.433   22.223   41.096   20.075 9.337498 29.94800 
1 1 1   14   30   33 o   43.925   14.744  -7.0673   8.9217 -11.4077   11.175   0.5617   14.816   37.318   18.062   50.532   23.310 -13.21399 29.48844 
1 1 1   14   30   34 o   84.407   18.563   27.021   9.6703   17.300   12.556   41.194   15.161   67.291   25.355  101.524   27.121 -34.23239 37.12685 
1 1 1   14   30   35 o   39.189   13.495 -14.1750   9.4261  -5.9414   12.328 -25.7658   14.626   42.007   19.965   36.371   18.163 5.635979 26.99000 
1 1 1   14   31    0 o   58.626   15.199   8.3468   6.2568   13.241   10.028   5.2269   8.0063   66.783   22.970   50.469   19.911 16.31424 30.39831 
1 1 1   14   31    1 o  162.895   8.9756   75.401   7.7318   70.135   11.975   79.165   10.125  157.223   14.096  168.567   11.116 -11.34312 17.95116 
1 1 1   14   31    2 o   39.205   17.735  -3.1015   8.0478   0.0000   0.0000  -3.1015   8.0478  ?   ?    39.205   17.735      ?      ? 
1 1 1   14   31    3 o  115.422   12.107   37.346   7.5509   0.0000   0.0000   37.346   7.5509  ?   ?   115.422   12.107      ?      ? 
1 1 1   14   31    4 o  172.002   9.1343   81.658   8.4898   0.0000   0.0000   81.658   8.4898  ?   ?   172.002   9.1343      ?      ? 
1 1 1   14   31    5 o  221.810   9.2953  135.934   11.141   0.0000   0.0000  135.934   11.141  ?   ?   221.810   9.2953      ?      ? 
1 1 1   14   31    6 f  192.751   11.248  103.741   11.716   0.0000   0.0000  103.741   11.716  ?   ?   192.751   11.248      ?      ? 
1 1 1   14   31    7 o   44.427   18.667   2.0111   7.5916   0.0000   0.0000   2.0111   7.5916  ?   ?    44.427   18.667      ?      ? 
1 1 1   14   31    8 o  144.292   10.501   57.943   8.1874   0.0000   0.0000   57.943   8.1874  ?   ?   144.292   10.501      ?      ? 
1 1 1   14   31    9 o  129.133   11.559   46.724   8.0660   0.0000   0.0000   46.724   8.0660  ?   ?   129.133   11.559      ?      ? 
1 1 1   14   31   10 o  120.775   11.849   40.978   7.7331   0.0000   0.0000   40.978   7.7331  ?   ?   120.775   11.849      ?      ? 
1 1 1   14   31   11 o  157.760   9.7423   69.096   8.3051   0.0000   0.0000   69.096   8.3051  ?   ?   157.760   9.7423      ?      ? 
1 1 1   14   31   12 o   60.077   19.765   10.801   7.4294   0.0000   0.0000   10.801   7.4294  ?   ?    60.077   19.765      ?      ? 
1 1 1   14   31   13 o   83.203   17.621   21.048   7.6760   0.0000   0.0000   21.048   7.6760  ?   ?    83.203   17.621      ?      ? 
1 1 1   14   31   14 f  213.492   8.7157  125.940   10.055   0.0000   0.0000  125.940   10.055  ?   ?   213.492   8.7157      ?      ? 
1 1 1   14   31   15 o   45.160   18.753   2.7435   7.5297   0.0000   0.0000   2.7435   7.5297  ?   ?    45.160   18.753      ?      ? 
1 1 1   14   31   16 o  104.860   13.577   31.365   7.6932   0.0000   0.0000   31.365   7.6932  ?   ?   104.860   13.577      ?      ? 
1 1 1   14   31   17 o   42.791   18.139   1.6479   7.2715   0.0000   0.0000   1.6479   7.2715  ?   ?    42.791   18.139      ?      ? 
1 1 1   14   31   18 o   48.810   19.011   5.4982   7.2209   0.0000   0.0000   5.4982   7.2209  ?   ?    48.810   19.011      ?      ? 
1 1 1   14   31   19 o  112.685   13.311   36.435   8.1053   0.0000   0.0000   36.435   8.1053  ?   ?   112.685   13.311      ?      ? 
1 1 1   14   31   20 o   56.041   19.981   9.1029   7.6335   0.0000   0.0000   9.1029   7.6335  ?   ?    56.041   19.981      ?      ? 
1 1 1   14   31   21 o   47.934   19.256   4.7457   7.6219   0.0000   0.0000   4.7457   7.6219  ?   ?    47.934   19.256      ?      ? 
1 1 1   14   31   22 o   49.758   19.569   5.9770   7.7112   0.0000   0.0000   5.9770   7.7112  ?   ?    49.758   19.569      ?      ? 
1 1 1   14   31   23 o   67.390   19.427   14.823   7.4629   0.0000   0.0000   14.823   7.4629  ?   ?    67.390   19.427      ?      ? 
1 1 1   14   31   24 o   57.793   20.215   10.422   7.7825   0.0000   0.0000   10.422   7.7825  ?   ?    57.793   20.215      ?      ? 
1 1 1   14   31   25 o   29.520   14.447 -12.7874   7.7146   0.0000   0.0000 -12.7874   7.7146  ?   ?    29.520   14.447      ?      ? 
1 1 1   14   31   26 o  131.699   11.338   49.314   8.0688   0.0000   0.0000   49.314   8.0688  ?   ?   131.699   11.338      ?      ? 
1 1 1   14   31   27 o   25.779   12.915 -19.7019   7.6782   0.0000   0.0000 -19.7019   7.6782  ?   ?    25.779   12.915      ?      ? 
1 1 1   14   31   28 o   38.966   17.413  -0.5192   7.4972   0.0000   0.0000  -0.5192   7.4972  ?   ?    38.966   17.413      ?      ? 
1 1 1   14   31   29 o   52.999   19.303   9.3393   7.1691   0.0000   0.0000   9.3393   7.1691  ?   ?    52.999   19.303      ?      ? 
1 1 1   14   31   30 o   65.836   20.173   15.132   7.8547   0.0000   0.0000   15.132   7.8547  ?   ?    65.836   20.173      ?      ? 
1 1 1   14   31   31 o   35.007   16.480  -5.4340   8.0316   0.0000   0.0000  -5.4340   8.0316  ?   ?    35.007   16.480      ?      ? 
1 1 1   14   32    0 o   48.017   14.034   2.9783   5.9114   6.3243   9.1045   0.5396   7.7726   53.477   21.190   42.557   18.408 10.91961 28.06864 
1 1 1   14   32    1 o   52.976   20.565   6.6241   8.4273   0.0000   0.0000   6.6241   8.4273  ?   ?    52.976   20.565      ?      ? 
1 1 1   14   32    2 f   67.552   18.953   14.098   7.1999   0.0000   0.0000   14.098   7.1999  ?   ?    67.552   18.953      ?      ? 
1 1 1   14   32    3 o   56.836   19.657   9.3255   7.3485   0.0000   0.0000   9.3255   7.3485  ?   ?    56.836   19.657      ?      ? 
1 1 1   14   32    4 o  122.666   12.521   42.555   8.2994   0.0000   0.0000   42.555   8.2994  ?   ?   122.666   12.521      ?      ? 
1 1 1   14   32    5 f  182.457   9.2070   92.211   9.0775   0.0000   0.0000   92.211   9.0775  ?   ?   182.457   9.2070      ?      ? 
1 1 1   14   32    6 o  134.182   11.428   50.533   8.2861   0.0000   0.0000   50.533   8.2861  ?   ?   134.182   11.428      ?      ? 
1 1 1   14   32    7 f   36.859   16.807  -3.4225   7.4069   0.0000   0.0000  -3.4225   7.4069  ?   ?    36.859   16.807      ?      ? 
1 1 1   14   32    8 o   74.331   19.223   17.181   7.7786   0.0000   0.0000   17.181   7.7786  ?   ?    74.331   19.223      ?      ? 
1 1 1   14   32    9 o   42.219   18.029   1.1982   7.2772   0.0000   0.0000   1.1982   7.2772  ?   ?    42.219   18.029      ?      ? 
1 1 1   14   32   10 o   75.282   19.420   17.767   7.9522   0.0000   0.0000   17.767   7.9522  ?   ?    75.282   19.420      ?      ? 
1 1 1   14   32   11 o   74.413   19.224   17.398   7.7850   0.0000   0.0000   17.398   7.7850  ?   ?    74.413   19.224      ?      ? 
1 1 1   14   32   12 o  135.780   11.346   52.020   8.3248   0.0000   0.0000   52.020   8.3248  ?   ?   135.780   11.346      ?      ? 
1 1 1   14   32   13 o   55.831   19.856   9.0310   7.5335   0.0000   0.0000   9.0310   7.5335  ?   ?    55.831   19.856      ?      ? 
1 1 1   14   32   14 o   38.927   17.339  -1.2598   7.3691   0.0000   0.0000  -1.2598   7.3691  ?   ?    38.927   17.339      ?      ? 
1 1 1   14   32   15 f   54.006   19.891   8.0905   7.6428   0.0000   0.0000   8.0905   7.6428  ?   ?    54.006   19.891      ?      ? 
1 1 1   14   32   16 o   54.019   19.680   8.2906   7.4527   0.0000   0.0000   8.2906   7.4527  ?   ?    54.019   19.680      ?      ? 
1 1 1   14   32   17 o   81.095   18.193   20.790   7.7762   0.0000   0.0000   20.790   7.7762  ?   ?    81.095   18.193      ?      ? 
1 1 1   14   32   18 o   61.263   20.060   12.109   7.6566   0.0000   0.0000   12.109   7.6566  ?   ?    61.263   20.060      ?      ? 
1 1 1   14   32   19 o   66.171   20.477   14.459   8.0703   0.0000   0.0000   14.459   8.0703  ?   ?    66.171   20.477      ?      ? 
1 1 1   14   32   20 o   47.699   19.528   4.5381   8.0130   0.0000   0.0000   4.5381   8.0130  ?   ?    47.699   19.528      ?      ? 
1 1 1   14   32   21 o   35.018   16.889 -11.6011   9.5602   0.0000   0.0000 -11.6011   9.5602  ?   ?    35.018   16.889      ?      ? 
1 1 1   14   32   22 o  162.186   13.101   76.032   11.482   0.0000   0.0000   76.032   11.482  ?   ?   162.186   13.101      ?      ? 
1 1 1   14   32   23 o   28.666   14.141 -14.9427   7.8796   0.0000   0.0000 -14.9427   7.8796  ?   ?    28.666   14.141      ?      ? 
1 1 1   14   32   24 o   32.505   15.665  -9.5259   8.1890   0.0000   0.0000  -9.5259   8.1890  ?   ?    32.505   15.665      ?      ? 
1 1 1   14   32   25 o   43.119   19.636  -0.3359   10.070   0.0000   0.0000  -0.3359   10.070  ?   ?    43.119   19.636      ?      ? 
1 1 1   14   32   26 o   35.449   16.945  -7.7449   9.1484   0.0000   0.0000  -7.7449   9.1484  ?   ?    35.449   16.945      ?      ? 
1 1 1   14   32   27 o   43.430   19.323   0.7931   9.1245   0.0000   0.0000   0.7931   9.1245  ?   ?    43.430   19.323      ?      ? 
1 1 1   14   32   28 o   73.462   23.008   20.440   10.154   0.0000   0.0000   20.440   10.154  ?   ?    73.462   23.008      ?      ? 
1 1 1   14   32   29 o   77.418   21.737   22.654   9.4668   0.0000   0.0000   22.654   9.4668  ?   ?    77.418   21.737      ?      ? 
1 1 1   14   33    0 o   54.189   14.351   7.1779   6.1520   0.2194   9.3643   12.462   8.1601   45.223   19.871   63.155   20.711 -17.93120 28.70159 
1 1 1   14   33    1 o   68.320   20.017   14.829   7.8655   0.0000   0.0000   14.829   7.8655  ?   ?    68.320   20.017      ?      ? 
1 1 1   14   33    2 o   51.678   19.412   7.0136   7.3495   0.0000   0.0000   7.0136   7.3495  ?   ?    51.678   19.412      ?      ? 
1 1 1   14   33    3 o   90.833   16.825   25.066   7.9540   0.0000   0.0000   25.066   7.9540  ?   ?    90.833   16.825      ?      ? 
1 1 1   14   33    4 o  113.189   12.860   36.632   7.8658   0.0000   0.0000   36.632   7.8658  ?   ?   113.189   12.860      ?      ? 
1 1 1   14   33    5 o   49.965   19.294   6.0774   7.3876   0.0000   0.0000   6.0774   7.3876  ?   ?    49.965   19.294      ?      ? 
1 1 1   14   33    6 o  118.751   12.694   40.305   8.1453   0.0000   0.0000   40.305   8.1453  ?   ?   118.751   12.694      ?      ? 
1 1 1   14   33    7 o  135.336   11.436   51.863   8.3635   0.0000   0.0000   51.863   8.3635  ?   ?   135.336   11.436      ?      ? 
1 1 1   14   33    8 o   57.911   19.900   10.206   7.5255   0.0000   0.0000   10.206   7.5255  ?   ?    57.911   19.900      ?      ? 
1 1 1   14   33    9 o   86.420   17.360   23.182   7.8252   0.0000   0.0000   23.182   7.8252  ?   ?    86.420   17.360      ?      ? 
1 1 1   14   33   10 o  113.597   13.541   37.580   8.3119   0.0000   0.0000   37.580   8.3119  ?   ?   113.597   13.541      ?      ? 
1 1 1   14   33   11 o  123.883   12.711   44.431   8.5092   0.0000   0.0000   44.431   8.5092  ?   ?   123.883   12.711      ?      ? 
1 1 1   14   33   12 o  113.361   12.912   37.326   7.9096   0.0000   0.0000   37.326   7.9096  ?   ?   113.361   12.912      ?      ? 
1 1 1   14   33   13 o  112.728   13.403   37.062   8.1642   0.0000   0.0000   37.062   8.1642  ?   ?   112.728   13.403      ?      ? 
1 1 1   14   33   14 o   66.148   20.189   14.289   7.8762   0.0000   0.0000   14.289   7.8762  ?   ?    66.148   20.189      ?      ? 
1 1 1   14   33   15 o   27.651   13.704 -16.0642   7.7106   0.0000   0.0000 -16.0642   7.7106  ?   ?    27.651   13.704      ?      ? 
1 1 1   14   33   16 o   47.285   20.438   2.1258   9.5671   0.0000   0.0000   2.1258   9.5671  ?   ?    47.285   20.438      ?      ? 
1 1 1   14   33   17 o   38.438   18.235  -8.7608   10.193   0.0000   0.0000  -8.7608   10.193  ?   ?    38.438   18.235      ?      ? 
1 1 1   14   33   18 o   35.166   17.081 -13.6883   10.226   0.0000   0.0000 -13.6883   10.226  ?   ?    35.166   17.081      ?      ? 
1 1 1   14   33   19 o   44.228   19.816  -0.1393   9.7759   0.0000   0.0000  -0.1393   9.7759  ?   ?    44.228   19.816      ?      ? 
1 1 1   14   33   20 o   51.266   21.511   6.7617   10.059   0.0000   0.0000   6.7617   10.059  ?   ?    51.266   21.511      ?      ? 
1 1 1   14   33   21 o   64.716   22.998   16.081   10.105   0.0000   0.0000   16.081   10.105  ?   ?    64.716   22.998      ?      ? 
1 1 1   14   33   22 o   81.995   22.788   24.797   10.460   0.0000   0.0000   24.797   10.460  ?   ?    81.995   22.788      ?      ? 
1 1 1   14   33   23 o   81.372   22.928   24.257   10.514   0.0000   0.0000   24.257   10.514  ?   ?    81.372   22.928      ?      ? 
1 1 1   14   33   24 o   76.381   21.851   21.422   9.4740   0.0000   0.0000   21.422   9.4740  ?   ?    76.381   21.851      ?      ? 
1 1 1   14   33   25 o   42.951   18.389   3.3760   7.6062   0.0000   0.0000   3.3760   7.6062  ?   ?    42.951   18.389      ?      ? 
1 1 1   14   34    0 o   96.288   17.894   29.079   8.9677   0.0000   0.0000   29.079   8.9677  ?   ?    96.288   17.894      ?      ? 
1 1 1   14   34    1 o   60.927   24.064   10.856   11.707   0.0000   0.0000   10.856   11.707  ?   ?    60.927   24.064      ?      ? 
1 1 1   14   34    3 o   91.370   23.504   28.766   11.671   0.0000   0.0000   28.766   11.671  ?   ?    91.370   23.504      ?      ? 
1 1 1   14   34    4 o   49.952   21.728   2.5734   10.950   0.0000   0.0000   2.5734   10.950  ?   ?    49.952   21.728      ?      ? 
1 1 1   14   34    5 o   37.050   17.718 -10.1207   10.024   0.0000   0.0000 -10.1207   10.024  ?   ?    37.050   17.718      ?      ? 
1 1 1   14   34    6 o   58.837   23.097   9.7029   10.723   0.0000   0.0000   9.7029   10.723  ?   ?    58.837   23.097      ?      ? 
1 1 1   14   34    7 o   65.577   23.520   13.995   10.592   0.0000   0.0000   13.995   10.592  ?   ?    65.577   23.520      ?      ? 
1 1 1   14   34    8 o  110.141   19.740   38.601   11.317   0.0000   0.0000   38.601   11.317  ?   ?   110.141   19.740      ?      ? 
1 1 1   14   34    9 o   88.915   21.631   26.218   10.294   0.0000   0.0000   26.218   10.294  ?   ?    88.915   21.631      ?      ? 
1 1 1   14   34   10 o   68.778   23.441   15.920   10.439   0.0000   0.0000   15.920   10.439  ?   ?    68.778   23.441      ?      ? 
1 1 1   14   34   11 o   52.716   21.874   5.9264   10.234   0.0000   0.0000   5.9264   10.234  ?   ?    52.716   21.874      ?      ? 
1 1 1   14   34   12 o   64.467   22.737   14.084   9.8588   0.0000   0.0000   14.084   9.8588  ?   ?    64.467   22.737      ?      ? 
1 1 1   14   34   13 o   64.343   23.097   14.778   10.216   0.0000   0.0000   14.778   10.216  ?   ?    64.343   23.097      ?      ? 
1 1 1   14   34   14 o   57.537   22.412   11.378   10.036   0.0000   0.0000   11.378   10.036  ?   ?    57.537   22.412      ?      ? 
1 1 1   14   34   15 o   48.801   20.628   5.8171   9.3614   0.0000   0.0000   5.8171   9.3614  ?   ?    48.801   20.628      ?      ? 
1 1 1   14   34   16 o   35.863   17.093  -7.2569   9.1675   0.0000   0.0000  -7.2569   9.1675  ?   ?    35.863   17.093      ?      ? 
1 1 1   14   34   17 o   93.071   17.222   27.904   8.3422   0.0000   0.0000   27.904   8.3422  ?   ?    93.071   17.222      ?      ? 
1 1 1   14   34   18 o   97.604   15.337   29.253   8.0889   0.0000   0.0000   29.253   8.0889  ?   ?    97.604   15.337      ?      ? 
1 1 1   14   34   19 o   52.480   19.910   8.7519   7.7762   0.0000   0.0000   8.7519   7.7762  ?   ?    52.480   19.910      ?      ? 
1 1 1   14   34   20 f   43.693   18.700   3.5668   7.8612   0.0000   0.0000   3.5668   7.8612  ?   ?    43.693   18.700      ?      ? 
1 1 1   14   34   21 o   38.018   17.231  -0.5214   7.6390   0.0000   0.0000  -0.5214   7.6390  ?   ?    38.018   17.231      ?      ? 
1 1 1   14   35    0 o   43.690   18.938   2.6495   8.2615   0.0000   0.0000   2.6495   8.2615  ?   ?    43.690   18.938      ?      ? 
1 1 1   14   35    1 o   33.838   16.110  -6.7097   8.0976   0.0000   0.0000  -6.7097   8.0976  ?   ?    33.838   16.110      ?      ? 
1 1 1   14   35    2 o  107.815   15.140   36.120   8.8203   0.0000   0.0000   36.120   8.8203  ?   ?   107.815   15.140      ?      ? 
1 1 1   14   35    3 o   31.463   15.248  -9.6165   8.0305   0.0000   0.0000  -9.6165   8.0305  ?   ?    31.463   15.248      ?      ? 
1 1 1   14   35    4 o   70.647   20.501   18.043   8.2863   0.0000   0.0000   18.043   8.2863  ?   ?    70.647   20.501      ?      ? 
1 1 1   14   35    5 f   42.660   18.495   2.6011   7.8830   0.0000   0.0000   2.6011   7.8830  ?   ?    42.660   18.495      ?      ? 
1 1 1   14   35    6 o   48.550   19.306   6.7543   7.5831   0.0000   0.0000   6.7543   7.5831  ?   ?    48.550   19.306      ?      ? 
1 1 1   14   35    7 o   49.191   19.662   6.7882   7.9035   0.0000   0.0000   6.7882   7.9035  ?   ?    49.191   19.662      ?      ? 
1 1 1   14   35    8 o   56.469   20.192   10.653   7.8010   0.0000   0.0000   10.653   7.8010  ?   ?    56.469   20.192      ?      ? 
1 1 1   14   35    9 o   42.919   18.500   2.3538   7.7958   0.0000   0.0000   2.3538   7.7958  ?   ?    42.919   18.500      ?      ? 
1 1 1   14   35   10 o   44.032   18.778   3.0443   7.8751   0.0000   0.0000   3.0443   7.8751  ?   ?    44.032   18.778      ?      ? 
1 1 1   14   35   11 o   75.317   19.477   19.372   7.9858   0.0000   0.0000   19.372   7.9858  ?   ?    75.317   19.477      ?      ? 
1 1 1   14   35   12 o   44.300   18.696   3.7749   7.6709   0.0000   0.0000   3.7749   7.6709  ?   ?    44.300   18.696      ?      ? 
1 1 1   14   35   13 o   82.988   18.094   23.266   7.8855   0.0000   0.0000   23.266   7.8855  ?   ?    82.988   18.094      ?      ? 
1 1 1   14   35   14 o   52.711   19.751   9.3887   7.5990   0.0000   0.0000   9.3887   7.5990  ?   ?    52.711   19.751      ?      ? 
1 1 1   14   35   15 o   67.205   19.907   16.498   7.7422   0.0000   0.0000   16.498   7.7422  ?   ?    67.205   19.907      ?      ? 
1 1 1   14   36    0 o   77.832   19.920   21.745   8.4128   0.0000   0.0000   21.745   8.4128  ?   ?    77.832   19.920      ?      ? 
1 1 1   14   36    1 o   49.497   19.657   7.5425   7.8518   0.0000   0.0000   7.5425   7.8518  ?   ?    49.497   19.657      ?      ? 
1 1 1   14   36    2 o   61.141   20.692   13.839   8.1334   0.0000   0.0000   13.839   8.1334  ?   ?    61.141   20.692      ?      ? 
1 1 1   14   36    3 o   35.987   16.791  -3.3928   8.0305   0.0000   0.0000  -3.3928   8.0305  ?   ?    35.987   16.791      ?      ? 
1 1 1   14   36    4 o   66.707   20.334   16.451   7.9932   0.0000   0.0000   16.451   7.9932  ?   ?    66.707   20.334      ?      ? 
1 1 1   15    0    0 o  111.266   3.6005   33.664   3.0468   33.664   3.0468   33.664   3.0468  111.266   5.0918  111.266   5.0918 0.000000 0.000000 
1 1 1   15    0    1 o   62.691   4.9733   11.017   2.3056   11.017   2.3056   11.017   2.3056   62.691   7.0333   62.691   7.0333 0.000000 0.000000 
1 1 1   15    0    2 o  275.163   4.1487  204.890   8.7148  204.890   8.7148  204.890   8.7148  275.163   5.8671  275.163   5.8671 0.000000 0.000000 
1 1 1   15    0    3 o  474.350   6.1072  608.812   22.122  608.812   22.122  608.812   22.122  474.350   8.6368  474.350   8.6368 0.000000 0.000000 
1 1 1   15    0    4 o  668.670   8.2369  1210.15   42.061  1210.15   42.061  1210.15   42.061  668.670   11.649  668.670   11.649 0.000000 0.000000 
1 1 1   15    0    5 o  430.716   5.6450  501.950   18.566  501.950   18.566  501.950   18.566  430.716   7.9833  430.716   7.9833 0.000000 0.000000 
1 1 1   15    0    6 o  1012.40   12.166  2776.85   94.060  2776.85   94.060  2776.85   94.060  1012.40   17.205  1012.40   17.205 0.000000 0.000000 
1 1 1   15    0    7 o  180.101   3.5618   87.858   4.8936   87.858   4.8936   87.858   4.8936  180.101   5.0372  180.101   5.0372 0.000000 0.000000 
1 1 1   15    0    8 o   14.779   6.9361  -0.5896   2.0790  -0.5896   2.0790  -0.5896   2.0790   14.779   9.8091   14.779   9.8091 0.000000 0.000000 
1 1 1   15    0    9 o  261.750   4.0922  185.426   8.1766  185.426   8.1766  185.426   8.1766  261.750   5.7873  261.750   5.7873 0.000000 0.000000 
1 1 1   15    0   12 o  844.580   10.270  1931.80   66.243  1931.80   66.243  1931.80   66.243  844.580   14.524  844.580   14.524 0.000000 0.000000 
1 1 1   15    0   13 o  919.264   11.125  2288.95   78.102  2288.95   78.102  2288.95   78.102  919.264   15.733  919.264   15.733 0.000000 0.000000 
1 1 1   15    0   14 o  386.433   5.2328  404.054   15.440  404.054   15.440  404.054   15.440  386.433   7.4003  386.433   7.4003 0.000000 0.000000 
1 1 1   15    0   15 o   93.999   4.4886   24.204   3.1905   24.204   3.1905   24.204   3.1905   93.999   6.3478   93.999   6.3478 0.000000 0.000000 
1 1 1   15    0   18 o  730.892   8.9773  1445.83   50.108  1445.83   50.108  1445.83   50.108  730.892   12.696  730.892   12.696 0.000000 0.000000 
1 1 1   15    0   19 o  976.922   11.783  2584.33   87.906  2584.33   87.906  2584.33   87.906  976.922   16.663  976.922   16.663 0.000000 0.000000 
1 1 1   15    0   20 o  467.552   6.0747  591.426   21.688  591.426   21.688  591.426   21.688  467.552   8.5909  467.552   8.5909 0.000000 0.000000 
1 1 1   15    0   21 o  187.106   3.8528   94.839   5.4984   94.839   5.4984   94.839   5.4984  187.106   5.4487  187.106   5.4487 0.000000 0.000000 
1 1 1   15    0   23 o  1054.44   12.687  3010.54  102.163  3010.54  102.163  3010.54  102.163  1054.44   17.942  1054.44   17.942 0.000000 0.000000 
1 1 1   15    0   26 o  311.438   4.6974  262.469   11.168  262.469   11.168  262.469   11.168  311.438   6.6431  311.438   6.6431 0.000000 0.000000 
1 1 1   15    0   27 o  530.142   6.8175  760.439   27.599  760.439   27.599  760.439   27.599  530.142   9.6414  530.142   9.6414 0.000000 0.000000 
1 1 1   15    0   28 o  724.747   8.9477  1421.67   49.522  1421.67   49.522  1421.67   49.522  724.747   12.654  724.747   12.654 0.000000 0.000000 
1 1 1   15    0   29 o  881.923   10.719  2106.21   72.195  2106.21   72.195  2106.21   72.195  881.923   15.159  881.923   15.159 0.000000 0.000000 
1 1 1   15    0   30 o  379.352   5.3873  389.418   15.604  389.418   15.604  389.418   15.604  379.352   7.6189  379.352   7.6189 0.000000 0.000000 
1 1 1   15    0   31 f  630.437   7.9400  1075.70   38.226  1075.70   38.226  1075.70   38.226  630.437   11.229  630.437   11.229 0.000000 0.000000 
1 1 1   15    0   32 o  460.071   6.1988  572.807   21.776  572.807   21.776  572.807   21.776  460.071   8.7664  460.071   8.7664 0.000000 0.000000 
1 1 1   15    0   33 o  140.259   5.9082   53.741   6.2813   53.741   6.2813   53.741   6.2813  140.259   8.3555  140.259   8.3555 0.000000 0.000000 
1 1 1   15    0   34 o  498.965   6.6043  673.865   25.163  673.865   25.163  673.865   25.163  498.965   9.3399  498.965   9.3399 0.000000 0.000000 
1 1 1   15    0   35 o  117.904   6.5787   38.285   5.8426   38.285   5.8426   38.285   5.8426  117.904   9.3037  117.904   9.3037 0.000000 0.000000 
1 1 1   15    0   36 o  299.782   5.0111  243.343   11.465  243.343   11.465  243.343   11.465  299.782   7.0867  299.782   7.0867 0.000000 0.000000 
1 1 1   15    0   37 o  243.907   4.8619  161.214   9.0458  161.214   9.0458  161.214   9.0458  243.907   6.8757  243.907   6.8757 0.000000 0.000000 
1 1 1   15    0   38 o  195.946   4.9680  104.206   7.4174  104.206   7.4174  104.206   7.4174  195.946   7.0258  195.946   7.0258 0.000000 0.000000 
1 1 1   15    0   39 o  168.737   5.3197   77.452   6.8286   77.452   6.8286   77.452   6.8286  168.737   7.5232  168.737   7.5232 0.000000 0.000000 
1 1 1   15    0   40 o  494.384   6.5795  662.157   24.838  662.157   24.838  662.157   24.838  494.384   9.3048  494.384   9.3048 0.000000 0.000000 
1 1 1   15    0   41 o  348.560   5.3207  329.119   14.158  329.119   14.158  329.119   14.158  348.560   7.5246  348.560   7.5246 0.000000 0.000000 
1 1 1   15    0   42 o  281.983   6.9323  216.126   14.898  216.126   14.898  216.126   14.898  281.983   9.8038  281.983   9.8038 0.000000 0.000000 
1 1 1   15    0   45 o  142.647   6.0057   55.704   6.4937   55.704   6.4937   55.704   6.4937  142.647   8.4934  142.647   8.4934 0.000000 0.000000 
1 1 1   15    0   46 o  455.637   6.2671  563.497   21.803  563.497   21.803  563.497   21.803  455.637   8.8631  455.637   8.8631 0.000000 0.000000 
1 1 1   15    0   47 f  362.884   5.5014  357.326   15.240  357.326   15.240  357.326   15.240  362.884   7.7801  362.884   7.7801 0.000000 0.000000 
1 1 1   15    0   48 o  152.642   5.6791   63.689   6.5827   63.689   6.5827   63.689   6.5827  152.642   8.0315  152.642   8.0315 0.000000 0.000000 
1 1 1   15    0   49 o  176.448   5.3065   84.877   7.1259   84.877   7.1259   84.877   7.1259  176.448   7.5045  176.448   7.5045 0.000000 0.000000 
1 1 1   15    0   50 o   19.948   9.7530  -3.9554   5.0524  -3.9554   5.0524  -3.9554   5.0524   19.948   13.793   19.948   13.793 0.000000 0.000000 
1 1 1   15    0   51 o  163.643   5.5484   73.199   6.9021   73.199   6.9021   73.199   6.9021  163.643   7.8466  163.643   7.8466 0.000000 0.000000 
1 1 1   15    0   52 o   39.192   14.281   6.3130   5.4747   6.3130   5.4747   6.3130   5.4747   39.192   20.197   39.192   20.197 0.000000 0.000000 
1 1 1   15    0   53 o  191.712   5.3395  100.329   7.7950  100.329   7.7950  100.329   7.7950  191.712   7.5511  191.712   7.5511 0.000000 0.000000 
1 1 1   15    0   54 o  250.941   5.1343  171.561   9.8272  171.561   9.8272  171.561   9.8272  250.941   7.2610  250.941   7.2610 0.000000 0.000000 
1 1 1   15    0   55 o   34.747   13.841   4.6638   5.5983   4.6638   5.5983   4.6638   5.5983   34.747   19.575   34.747   19.575 0.000000 0.000000 
1 1 1   15    0   56 o   34.226   13.827   4.4417   5.6920   4.4417   5.6920   4.4417   5.6920   34.226   19.554   34.226   19.554 0.000000 0.000000 
1 1 1   15    0   57 o   41.304   15.126   7.2387   6.1622   7.2387   6.1622   7.2387   6.1622   41.304   21.391   41.304   21.391 0.000000 0.000000 
1 1 1   15    0   58 o  248.275   5.3306  168.448   10.093  168.448   10.093  168.448   10.093  248.275   7.5386  248.275   7.5386 0.000000 0.000000 
1 1 1   15    0   59 o   22.786   11.099  -4.1758   6.3975  -4.1758   6.3975  -4.1758   6.3975   22.786   15.696   22.786   15.696 0.000000 0.000000 
1 1 1   15    0   60 o   79.619   13.266   20.671   7.0109   20.671   7.0109   20.671   7.0109   79.619   18.761   79.619   18.761 0.000000 0.000000 
1 1 1   15    0   61 o  231.688   5.7934  147.632   10.228  147.632   10.228  147.632   10.228  231.688   8.1931  231.688   8.1931 0.000000 0.000000 
1 1 1   15    0   62 o   21.698   10.866  -8.5436   7.4579  -8.5436   7.4579  -8.5436   7.4579   21.698   15.366   21.698   15.366 0.000000 0.000000 
1 1 1   15    0   63 o  136.357   7.9978   53.379   8.2020   53.379   8.2020   53.379   8.2020  136.357   11.311  136.357   11.311 0.000000 0.000000 
1 1 1   15    0   64 o   89.685   12.361   25.629   7.5493   25.629   7.5493   25.629   7.5493   89.685   17.481   89.685   17.481 0.000000 0.000000 
1 1 1   15    1    0 o  335.448   4.6939  304.177   8.5081  304.996   12.090  303.375   11.976  335.895   6.6607  335.002   6.6157 0.8928528 9.387839 
1 1 1   15    1    1 o  188.830   3.5735   96.108   3.6410  101.395   5.3259   91.469   4.9890  193.692   5.0886  183.968   5.0186 9.723358 7.146986 
1 1 1   15    1    2 o  482.463   6.1835  629.412   16.119  634.560   22.992  624.436   22.605  484.401   8.7837  480.525   8.7056 3.875671 12.36693 
1 1 1   15    1    3 o  913.859   11.023  2262.72   54.425  2240.42   76.225  2285.92   77.733  909.279   15.514  918.438   15.663 -9.159851 22.04527 
1 1 1   15    1    4 o  701.066   8.5990  1330.36   32.576  1328.03   46.036  1332.70   46.102  700.450   12.163  701.682   12.159 -1.232361 17.19794 
1 1 1   15    1    5 o  186.628   3.5755   94.137   3.6047   94.098   5.1605   94.174   5.0375  186.590   5.1181  186.667   4.9942 -0.7675171E-01 7.151003 
1 1 1   15    1    6 o  427.802   5.6134  494.157   12.963  509.835   18.867  480.139   17.840  434.216   8.0409  421.389   7.8348 12.82651 11.22675 
1 1 1   15    1    7 o  490.110   6.2739  649.666   16.616  651.280   23.561  648.070   23.435  490.715   8.8856  489.505   8.8596 1.209351 12.54777 
1 1 1   15    1    8 o  522.986   9.3751  739.875   26.494   0.0000   0.0000  739.875   26.494  ?   ?   522.986   9.3751      ?      ? 
1 1 1   15    1    9 o  615.959   7.6569  1026.76   25.485  1031.44   36.219  1022.18   35.866  617.345   10.857  614.573   10.800 2.772034 15.31389 
1 1 1   15    1   10 o  623.240   7.7488  1051.18   26.094  1041.58   36.597  1061.11   37.215  620.349   10.917  626.131   10.999 -5.781616 15.49760 
1 1 1   15    1   11 o  130.351   5.5024   45.928   3.8757   0.0000   0.0000   45.928   3.8757  ?   ?   130.351   5.5024      ?      ? 
1 1 1   15    1   12 o  868.528   10.533  2043.35   49.412  2009.68   68.719  2079.39   71.099  861.147   14.768  875.910   15.022 -14.76288 21.06506 
1 1 1   15    1   13 o  219.274   3.9760  129.976   4.7101  130.727   6.6042  129.199   6.7195  219.920   5.5573  218.628   5.6878 1.291565 7.952030 
1 1 1   15    1   15 o  371.388   5.0952  372.015   10.201  360.793   13.875  385.219   15.050  365.312   7.0286  377.464   7.3785 -12.15125 10.19040 
1 1 1   15    1   16 o  1012.94   17.300  2781.74   94.690   0.0000   0.0000  2781.74   94.690  ?   ?   1012.94   17.300      ?      ? 
1 1 1   15    1   17 o  415.305   6.7502  471.937   14.636  444.369   23.638  489.076   18.638  405.297   10.793  425.311   8.1097 -20.01404 13.50046 
1 1 1   15    1   18 o  336.904   6.7414  306.812   12.273  306.812   12.273   0.0000   0.0000  336.904   6.7414  ?   ?       ?      ? 
1 1 1   15    1   20 o  403.644   5.4206  440.435   11.823  440.356   16.702  440.515   16.739  403.607   7.6583  403.680   7.6735 -0.7284546E-01 10.84124 
1 1 1   15    1   21 o  672.141   8.2991  1221.68   30.137  1207.06   42.121  1237.01   43.137  668.027   11.669  676.255   11.804 -8.227295 16.59827 
1 1 1   15    1   22 o  833.720   10.127  1880.95   45.625  1888.33   64.770  1873.68   64.278  835.342   14.349  832.099   14.296 3.242371 20.25486 
1 1 1   15    1   23 o  703.837   8.6616  1340.08   32.943  1338.05   46.485  1342.13   46.691  703.303   12.232  704.371   12.267 -1.068726 17.32327 
1 1 1   15    1   24 o  659.304   8.1747  1175.70   29.122  1168.37   40.900  1183.24   41.475  657.221   11.517  661.386   11.605 -4.164551 16.34950 
1 1 1   15    1   25 o  446.362   5.9057  538.600   14.244  543.404   20.251  533.896   20.039  448.331   8.3591  444.392   8.3449 3.939026 11.81148 
1 1 1   15    1   26 o  534.476   6.8276  772.354   19.717  766.012   27.635  778.929   28.139  532.243   9.6086  536.708   9.7026 -4.464417 13.65523 
1 1 1   15    1   27 o  812.107   9.9064  1785.11   43.470  1774.22   61.059  1796.31   61.901  809.601   13.957  814.613   14.062 -5.011963 19.81276 
1 1 1   15    1   28 o  236.104   4.3769  150.645   5.5822  149.558   7.7813  151.798   8.0127  235.228   6.1218  236.980   6.2572 -1.752640 8.753761 
1 1 1   15    1   29 o  527.798   6.8055  753.489   19.409  752.820   27.384  754.163   27.514  527.564   9.6059  528.032   9.6429 -0.4680786 13.61099 
1 1 1   15    1   30 o  492.380   6.4652  655.679   17.202  656.977   24.337  654.383   24.316  492.868   9.1381  491.893   9.1481 0.9747314 12.93031 
1 1 1   15    1   31 o  345.165   5.1657  322.122   9.6344  324.070   13.588  320.152   13.662  346.216   7.2631  344.115   7.3474 2.101654 10.33141 
1 1 1   15    1   32 o  928.875   11.277  2339.20   56.602  2327.68   79.599  2350.99   80.503  926.571   15.898  931.179   15.999 -4.608459 22.55471 
1 1 1   15    1   33 o  1038.86   12.552  2928.69   70.463  2921.55   99.401  2935.90   99.899  1037.59   17.729  1040.13   17.774 -2.532837 25.10424 
1 1 1   15    1   34 f  710.713   8.8297  1368.34   33.910  1367.10   47.879  1369.59   48.033  710.392   12.473  711.034   12.501 -0.6412354 17.65932 
1 1 1   15    1   35 o  358.770   5.3470  348.099   10.366  352.365   14.733  343.917   14.587  360.947   7.5535  356.593   7.5702 4.353699 10.69407 
1 1 1   15    1   36 o  200.028   4.9441  108.155   5.3405  113.885   7.6430  102.688   7.4653  205.205   6.8926  194.852   7.0901 10.35388 9.888296 
1 1 1   15    1   37 o  657.339   8.2752  1170.67   29.376  1147.10   40.690  1196.32   42.452  650.461   11.577  664.218   11.828 -13.75702 16.55033 
1 1 1   15    1   38 o  799.654   9.8543  1736.91   42.579  1747.02   60.555  1727.04   59.883  801.942   13.974  797.367   13.898 4.575378 19.70854 
1 1 1   15    1   39 o  433.702   6.0069  509.087   14.073  519.985   20.223  498.855   19.596  438.194   8.5407  429.209   8.4490 8.984772 12.01372 
1 1 1   15    1   40 o   56.340   10.629   8.4675   3.7785   15.050   5.2979   1.6532   5.3905   73.173   13.907   39.508   16.078 33.66473 21.25789 
1 1 1   15    1   41 o  273.529   6.9361  203.184   10.220  205.473   13.960  200.540   15.004  275.240   9.3859  271.819   10.215 3.420166 13.87227 
1 1 1   15    1   42 o  437.403   8.5437  520.732   20.187  521.171   28.186  520.270   28.925  437.636   11.919  437.171   12.244 0.4644775 17.08745 
1 1 1   15    1   43 o  345.208   10.358  324.099   19.322  324.099   19.322   0.0000   0.0000  345.208   10.358  ?   ?       ?      ? 
1 1 1   15    1   44 o   87.533   12.461   23.172   5.7879   10.964   8.5168   33.649   7.8897   64.084   21.165  110.981   13.156 -46.89649 24.92102 
1 1 1   15    1   45 o   95.286   11.808   25.874   5.8306   22.613   8.7810   28.446   7.7977   88.720   18.895  101.852   14.168 -13.13183 23.61685 
1 1 1   15    1   46 o  163.535   6.9620   71.798   5.7162   75.811   10.307   70.015   6.8695  166.540   11.453  160.531   7.9191 6.008408 13.92399 
1 1 1   15    1   47 o   99.897   7.6991   27.290   4.1412   24.389   5.7951   30.317   5.9199   94.418   11.358  105.375   10.397 -10.95674 15.39812 
1 1 1   15    1   48 o  125.015   6.4267   42.672   4.3342   44.377   6.0425   40.865   6.2203  127.630   8.7614  122.399   9.4048 5.231491 12.85347 
1 1 1   15    1   49 o  219.208   5.0035  130.681   5.9261  131.296   8.3312  130.052   8.4312  219.742   7.0163  218.675   7.1351 1.066772 10.00691 
1 1 1   15    1   50 o  312.776   5.2097  266.345   8.8047  265.349   12.387  267.361   12.517  312.193   7.3428  313.358   7.3923 -1.165131 10.41936 
1 1 1   15    1   51 o   86.449   8.9231   21.217   3.9979   25.047   5.5958   17.223   5.7137   95.392   10.856   77.505   14.165 17.88686 17.84627 
1 1 1   15    1   52 o  186.929   5.2714   95.377   5.3246   94.588   7.5244   96.169   7.5357  186.148   7.4804  187.710   7.4293 -1.561890 10.54282 
1 1 1   15    1   53 o  185.604   5.3205   94.083   5.3342   91.941   7.4232   96.370   7.6704  183.431   7.4891  187.778   7.5593 -4.346725 10.64096 
1 1 1   15    1   54 o  201.590   5.2208  111.139   5.6867  112.836   8.0436  109.442   8.0407  203.147   7.3275  200.032   7.4388 3.114395 10.44165 
1 1 1   15    1   55 o  130.415   6.4403   46.805   4.5296   51.091   6.5429   42.859   6.2771  136.201   8.8901  124.629   9.3207 11.57130 12.88056 
1 1 1   15    1   56 o   49.731   12.347   6.6496   4.1391   5.3752   5.8909   7.8922   5.8170   46.881   17.425   52.581   17.498 -5.700584 24.69424 
1 1 1   15    1   57 o  143.571   6.3809   57.061   4.9473   56.598   7.1047   57.496   6.8932  142.939   9.1983  144.203   8.8462 -1.263535 12.76182 
1 1 1   15    1   58 o   95.164   9.6227   26.476   4.5839   36.844   6.6629   17.158   6.3162  114.752   10.745   75.575   15.967 39.17673 19.24545 
1 1 1   15    1   59 o   79.389   11.504   19.128   4.7693   20.503   6.8145   17.809   6.6772   82.450   15.871   76.329   16.657 6.120827 23.00766 
1 1 1   15    1   60 o  117.006   8.3576   38.944   5.2502   45.450   7.7057   33.307   7.1726  126.364   11.285  107.647   12.331 18.71723 16.71514 
1 1 1   15    1   61 o  294.431   5.7665  240.610   9.1704  249.697   13.187  232.100   12.761  299.826   8.1395  289.037   8.1705 10.78836 11.53291 
1 1 1   15    1   62 o  132.464   8.4512   50.333   5.9961   58.941   8.6341   42.315   8.3333  143.937   11.101  120.992   12.746 22.94440 16.90238 
1 1 1   15    1   63 o  168.485   7.0386   81.894   6.4036   78.715   9.0717   85.052   9.0405  164.985   10.175  171.985   9.7278 -6.999390 14.07726 
1 1 1   15    1   64 o   39.524   12.280  -0.2745   5.2943   4.4128   7.3685  -5.2765   7.6119   45.012   18.609   34.036   16.029 10.97576 24.56082 
1 1 1   15    2    0 o  353.197   4.8913  336.976   9.3298  344.640   13.478  329.926   12.927  357.048   6.9860  349.347   6.8481 7.700928 9.782643 
1 1 1   15    2    1 o  619.594   7.6937  1038.13   25.747  1057.28   37.092  1020.32   35.769  625.097   10.981  614.090   10.779 11.00702 15.38736 
1 1 1   15    2    2 o  267.526   4.1198  192.735   5.9420  203.932   8.7734  183.246   8.0764  274.676   5.9110  260.376   5.7402 14.30057 8.239546 
1 1 1   15    2    3 o  490.435   6.2847  650.492   16.655  647.436   23.513  653.569   23.596  489.279   8.8931  491.592   8.8826 -2.312378 12.56933 
1 1 1   15    2    4 o  322.835   4.5963  281.717   8.0178  277.392   11.286  286.124   11.393  320.333   6.5198  325.337   6.4805 -5.004120 9.192659 
1 1 1   15    2    5 o  621.072   10.885  1043.75   36.532   0.0000   0.0000  1043.75   36.532  ?   ?   621.072   10.885      ?      ? 
1 1 1   15    2    6 o  490.043   8.8590  649.486   23.459   0.0000   0.0000  649.486   23.459  ?   ?   490.043   8.8590      ?      ? 
1 1 1   15    2    7 o  279.723   5.9442  211.505   8.9848   0.0000   0.0000  211.505   8.9848  ?   ?   279.723   5.9442      ?      ? 
1 1 1   15    2    8 o  418.628   7.8211  473.897   17.692   0.0000   0.0000  473.897   17.692  ?   ?   418.628   7.8211      ?      ? 
1 1 1   15    2    9 o  429.388   5.6629  498.614   13.139  497.875   18.598  499.350   18.566  429.070   8.0213  429.706   7.9958 -0.6362000 11.32582 
1 1 1   15    2   10 o  442.495   5.8019  529.486   13.872  524.124   19.481  535.002   19.758  440.223   8.1892  444.766   8.2211 -4.543091 11.60385 
1 1 1   15    2   11 o  215.262   5.4542  125.251   6.3443   0.0000   0.0000  125.251   6.3443  ?   ?   215.262   5.4542      ?      ? 
1 1 1   15    2   12 o  644.473   8.0065  1120.16   27.804  1175.35   41.228  1074.11   37.657  658.958   11.578  629.988   11.062 28.97009 16.01309 
1 1 1   15    2   13 o  287.723   9.1951  223.919   14.296   0.0000   0.0000  223.919   14.296  ?   ?   287.723   9.1951      ?      ? 
1 1 1   15    2   14 o  878.731   10.648  2091.76   50.546  2066.79   70.471  2118.23   72.540  873.353   14.933  884.110   15.184 -10.75696 21.29637 
1 1 1   15    2   15 o  511.573   9.3520  707.852   25.852   0.0000   0.0000  707.852   25.852  ?   ?   511.573   9.3520      ?      ? 
1 1 1   15    2   16 o  872.145   15.034  2060.31   70.853   0.0000   0.0000  2060.31   70.853  ?   ?   872.145   15.034      ?      ? 
1 1 1   15    2   17 o  1006.95   17.164  2747.97   93.393  2747.97   93.393   0.0000   0.0000  1006.95   17.164  ?   ?       ?      ? 
1 1 1   15    2   18 o  444.788   8.1759  534.886   19.651  534.886   19.651   0.0000   0.0000  444.788   8.1759  ?   ?       ?      ? 
1 1 1   15    2   21 o  1096.86   13.161  3259.42   78.005  3278.62  110.960  3240.66  109.683  1100.05   18.667  1093.68   18.559 6.370850 26.32293 
1 1 1   15    2   22 o  680.002   8.3965  1250.65   30.852  1245.17   43.404  1256.25   43.861  678.499   11.838  681.505   11.910 -3.006042 16.79295 
1 1 1   15    2   23 o  642.782   7.9821  1117.47   27.725  1121.72   39.309  1113.28   39.109  643.996   11.296  641.569   11.281 2.426941 15.96427 
1 1 1   15    2   24 o  647.198   8.0394  1132.58   28.108  1117.52   39.190  1148.54   40.336  642.775   11.283  651.621   11.455 -8.846680 16.07885 
1 1 1   15    2   25 o  720.250   8.8565  1403.12   34.461  1386.06   48.098  1421.13   49.397  715.757   12.436  724.742   12.613 -8.984558 17.71291 
1 1 1   15    2   26 o  427.764   5.7401  494.679   13.268  494.827   18.685  494.529   18.843  427.829   8.0823  427.698   8.1530 0.1308899 11.48020 
1 1 1   15    2   27 o  235.270   4.3167  149.651   5.4858  154.091   7.7474  145.187   7.7689  238.772   6.0046  231.768   6.2032 7.003571 8.633359 
1 1 1   15    2   28 o  694.974   8.6062  1307.07   32.319  1305.18   45.602  1308.98   45.811  694.469   12.152  695.478   12.190 -1.008667 17.21233 
1 1 1   15    2   29 o  290.520   4.6926  228.134   7.3656  234.072   10.474  222.327   10.360  294.260   6.5873  286.780   6.6852 7.479858 9.385300 
1 1 1   15    2   30 o  378.803   5.4098  387.895   11.072  394.954   15.768  381.027   15.552  382.203   7.6347  375.403   7.6666 6.800476 10.81966 
1 1 1   15    2   31 o  616.200   7.7816  1027.31   25.907  1018.04   36.277  1036.96   37.011  613.368   10.945  619.032   11.064 -5.663330 15.56330 
1 1 1   15    2   32 o  332.589   5.1390  299.089   9.2353  303.041   13.071  295.150   13.051  334.785   7.2252  330.394   7.3099 4.390381 10.27802 
1 1 1   15    2   33 o  427.380   5.9298  494.002   13.694  494.994   19.284  492.992   19.449  427.816   8.3417  426.945   8.4301 0.8703003 11.85965 
1 1 1   15    2   34 o  497.608   6.5877  669.895   17.712  679.115   25.272  660.994   24.831  500.971   9.3355  494.245   9.2974 6.725952 13.17549 
1 1 1   15    2   35 o  646.647   8.1471  1132.28   28.465  1145.89   40.641  1119.18   39.880  650.455   11.563  642.840   11.481 7.614380 16.29422 
1 1 1   15    2   36 o  336.229   5.2416  305.763   9.5223  311.578   13.549  300.088   13.386  339.388   7.3880  333.069   7.4373 6.319183 10.48313 
1 1 1   15    2   37 f  745.210   9.2451  1506.92   37.225  1521.37   53.097  1492.95   52.203  748.709   13.124  741.710   13.025 6.999817 18.49020 
1 1 1   15    2   38 o  341.782   5.2886  316.086   9.7669  320.282   13.876  311.966   13.750  344.031   7.4643  339.533   7.4941 4.497742 10.57716 
1 1 1   15    2   39 o  473.316   7.7263  606.549   18.750  611.036   32.103  604.226   23.099  474.356   12.524  472.275   9.0512 2.080444 15.45269 
1 1 1   15    2   40 o  157.405   7.3946   67.133   6.2247   66.577   8.2176   67.883   9.5347  156.687   9.7056  158.123   11.159 -1.436203 14.78926 
1 1 1   15    2   41 o  290.779   6.9214  228.730   10.833  222.027   14.602  236.937   16.157  286.097   9.4453  295.461   10.120 -9.363739 13.84284 
1 1 1   15    2   42 o   83.588   10.908   19.744   4.4440   20.205   5.3649   18.736   7.9327   86.184   11.520   80.992   18.527 5.191872 21.81682 
1 1 1   15    2   43 f  164.089   5.2825   72.992   4.6827   72.596   6.5415   73.407   6.7062  163.639   7.3978  164.540   7.5426 -0.9006500 10.56496 
1 1 1   15    2   44 o  355.198   6.6147  342.439   11.946  341.709   14.598  343.919   20.783  354.965   7.6107  355.432   10.821 -0.4670105 13.22948 
1 1 1   15    2   45 o   81.755   13.407   19.468   5.9045   13.651   8.4137   25.113   8.2882   69.466   20.792   94.043   16.932 -24.57690 26.81434 
1 1 1   15    2   46 o  422.987   8.6010  489.909   19.652  488.063   28.138  491.667   27.459  422.130   12.336  423.844   11.989 -1.714478 17.20203 
1 1 1   15    2   47 f  174.484   6.7425   78.704   5.8935   94.482   10.953   72.275   6.9918  185.917   10.903  163.051   7.9356 22.86653 13.48503 
1 1 1   15    2   48 o  155.692   5.5954   66.059   4.6989   69.524   6.5817   62.457   6.7107  159.902   7.6173  151.482   8.1982 8.419769 11.19079 
1 1 1   15    2   49 o  288.740   5.1014  226.765   7.9580  232.967   11.321  220.707   11.189  292.657   7.1587  284.822   7.2699 7.834778 10.20286 
1 1 1   15    2   50 o  184.001   5.2302   92.230   5.1965   93.356   7.2393   91.033   7.4636  185.191   7.2342  182.810   7.5555 2.381104 10.46035 
1 1 1   15    2   51 o  204.235   5.1260  113.640   5.6556  117.466   8.0516  109.913   7.9458  207.646   7.1758  200.824   7.3221 6.821564 10.25203 
1 1 1   15    2   52 o   76.225   10.080   16.841   4.0132   19.979   5.5590   13.426   5.7997   84.844   12.125   67.607   16.105 17.23695 20.15940 
1 1 1   15    2   53 o  196.547   5.2603  105.479   5.5839  100.872   7.7845  110.361   8.0141  192.112   7.4987  200.982   7.3792 -8.869614 10.52059 
1 1 1   15    2   54 o   77.909   10.133   17.618   4.1075   17.509   5.7249   17.733   5.8966   77.716   14.154   78.103   14.506 -0.3865128 20.26671 
1 1 1   15    2   55 o   58.156   12.067   10.024   4.0814   11.712   5.7167   8.2700   5.8289   62.602   16.621   53.710   17.499 8.891991 24.13435 
1 1 1   15    2   56 o  139.089   6.3113   53.421   4.7430   54.048   6.6852   52.786   6.7302  139.939   8.8407  138.239   9.0096 1.700287 12.62268 
1 1 1   15    2   57 o  163.818   5.8564   73.941   5.1822   76.103   7.4526   71.916   7.2109  166.127   8.3020  161.508   8.2624 4.618683 11.71285 
1 1 1   15    2   58 o  199.036   5.5274  109.084   5.9443  108.776   8.4518  109.386   8.3620  198.732   7.8704  199.339   7.7630 -0.6071625 11.05471 
1 1 1   15    2   59 f   42.636   12.069   2.3312   4.5678  -2.8643   6.6808   6.8919   6.2593   35.164   16.006   50.107   18.069 -14.94233 24.13874 
1 1 1   15    2   60 o  138.546   7.2317   54.180   5.4117   54.579   7.7799   53.806   7.5326  138.962   10.361  138.131   10.092 0.8319092 14.46334 
1 1 1   15    2   61 f   42.420   12.780   1.7530   5.1820   0.1947   7.3854   3.2641   7.2729   40.358   17.692   44.482   18.447 -4.124554 25.55973 
1 1 1   15    2   62 o   59.786   13.887   11.327   5.3626   7.6867   7.7688   14.641   7.4115   52.516   19.906   67.057   19.369 -14.54015 27.77426 
1 1 1   15    2   63 o  107.413   9.6986   35.117   5.6274   36.260   8.0016   33.998   7.9159  109.289   13.549  105.537   13.881 3.751617 19.39711 
1 1 1   15    2   64 o  113.324   9.4465   38.565   5.7734   41.360   8.2080   35.828   8.1222  117.775   12.897  108.872   13.806 8.902527 18.89292 
1 1 1   15    3    0 o  146.247   5.0944   57.805   4.0259   0.0000   0.0000   57.805   4.0259  ?   ?   146.247   5.0944      ?      ? 
1 1 1   15    3    1 o  634.265   7.8781  1088.59   27.001  1084.50   38.131  1092.71   38.239  633.068   11.147  635.463   11.136 -2.395203 15.75624 
1 1 1   15    3    2 o  565.683   7.1185  865.603   21.758  858.263   30.588  873.122   30.957  563.257   10.050  568.109   10.084 -4.852417 14.23691 
1 1 1   15    3    3 o  356.308   6.9585  343.222   13.398   0.0000   0.0000  343.222   13.398  ?   ?   356.308   6.9585      ?      ? 
1 1 1   15    3    4 o  106.324   3.9985   30.444   2.2906   31.969   3.3998   29.176   3.0996  108.754   5.7853  103.895   5.5211 4.858261 7.997001 
1 1 1   15    3    5 o  1113.80   13.375  3367.09   80.488  3392.94  114.807  3342.10  112.873  1117.98   19.004  1109.62   18.825 8.358643 26.74925 
1 1 1   15    3    6 o  441.543   5.7967  527.128   13.829  519.773   19.398  534.730   19.721  438.412   8.1882  444.674   8.2073 -6.261963 11.59338 
1 1 1   15    3    7 o  371.155   7.1572  372.459   14.354   0.0000   0.0000  372.459   14.354  ?   ?   371.155   7.1572      ?      ? 
1 1 1   15    3    8 o  303.133   4.4905  248.259   7.3510  252.625   10.617  244.239   10.188  305.689   6.4276  300.577   6.2724 5.112152 8.980903 
1 1 1   15    3    9 o  439.832   5.8002  523.192   13.785  523.418   19.595  522.971   19.396  439.924   8.2428  439.740   8.1624 0.1838379 11.60042 
1 1 1   15    3   10 o  661.196   8.1935  1183.37   29.273  1172.60   41.101  1194.45   41.700  658.148   11.557  664.245   11.618 -6.096985 16.38709 
1 1 1   15    3   11 o  538.993   9.6647  785.935   28.149   0.0000   0.0000  785.935   28.149  ?   ?   538.993   9.6647      ?      ? 
1 1 1   15    3   12 o  952.466   14.193  2451.59   68.293  2428.82   82.809  2500.00  120.752  946.478   16.191  958.454   23.315 -11.97595 28.38554 
1 1 1   15    3   13 o  149.231   9.9412   60.248   8.0165   0.0000   0.0000   60.248   8.0165  ?   ?   149.231   9.9412      ?      ? 
1 1 1   15    3   14 o  611.970   10.915  1013.40   36.094   0.0000   0.0000  1013.40   36.094  ?   ?   611.970   10.915      ?      ? 
1 1 1   15    3   15 o  566.005   10.231  866.631   31.291   0.0000   0.0000  866.631   31.291  ?   ?   566.005   10.231      ?      ? 
1 1 1   15    3   17 o  450.604   8.5770  549.008   20.884   0.0000   0.0000  549.008   20.884  ?   ?   450.604   8.5770      ?      ? 
1 1 1   15    3   20 o  626.675   10.987  1062.15   37.206  1062.15   37.206   0.0000   0.0000  626.675   10.987  ?   ?       ?      ? 
1 1 1   15    3   21 o  963.652   11.626  2513.98   60.531  2494.14   84.859  2534.52   86.368  959.792   16.362  967.511   16.520 -7.719360 23.25117 
1 1 1   15    3   22 o  1679.32   20.014  7666.81  181.604  7608.17  254.718  7727.44  258.988  1672.84   28.178  1685.81   28.430 -12.96802 40.02892 
1 1 1   15    3   23 o  1186.62   14.215  3815.73   91.117  3758.67  126.818  3876.62  131.001  1177.49   19.931  1195.75   20.274 -18.26379 28.43071 
1 1 1   15    3   24 o  330.506   4.8292  295.132   8.6228  303.169   12.330  287.439   12.063  334.908   6.8131  326.103   6.8458 8.804810 9.658326 
1 1 1   15    3   25 o  316.917   4.7353  271.090   8.0987  264.470   11.123  278.561   11.815  312.806   6.5802  321.028   6.8111 -8.221191 9.470519 
1 1 1   15    3   26 o  598.147   7.5316  966.115   24.313  938.681   33.388  997.084   35.473  589.132   10.488  607.163   10.812 -18.03156 15.06314 
1 1 1   15    3   27 o  403.158   5.5527  438.791   12.082  427.289   16.611  451.715   17.607  397.559   7.7322  408.756   7.9714 -11.19775 11.10540 
1 1 1   15    3   28 o  1443.56   17.265  5667.40  134.649  5606.98  188.271  5730.65  192.648  1435.74   24.267  1451.37   24.564 -15.62793 34.52949 
1 1 1   15    3   29 o  151.937   4.8866   62.552   3.9979   64.400   5.4787   60.447   5.8470  154.347   6.5689  149.527   7.2364 4.820404 9.773238 
1 1 1   15    3   30 o  914.054   11.102  2263.23   54.824  2296.73   78.600  2231.48   76.507  920.623   15.800  907.485   15.602 13.13800 22.20472 
1 1 1   15    3   31 o  359.998   5.3171  350.321   10.339  347.332   14.390  353.510   14.865  358.414   7.4300  361.581   7.6078 -3.166870 10.63410 
1 1 1   15    3   32 o  610.955   7.7545  1009.67   25.593  1029.16   36.759  991.346   35.653  616.666   11.031  605.244   10.901 11.42200 15.50898 
1 1 1   15    3   33 o  333.040   7.4674  299.921   13.439   0.0000   0.0000  299.921   13.439  ?   ?   333.040   7.4674      ?      ? 
1 1 1   15    3   34 o  506.314   6.6880  693.690   18.297  699.618   26.008  687.881   25.746  508.455   9.4662  504.174   9.4504 4.281464 13.37600 
1 1 1   15    3   35 o  591.594   7.5655  947.557   24.185  953.722   34.329  941.483   34.077  593.504   10.704  589.684   10.694 3.819397 15.13105 
1 1 1   15    3   36 o  421.181   5.9130  479.732   13.449  471.528   18.626  488.669   19.439  417.430   8.2574  424.933   8.4659 -7.502808 11.82604 
1 1 1   15    3   37 o  294.991   5.9389  231.757   9.0874  248.874   15.395  222.603   11.258  303.147   9.3980  286.836   7.2634 16.31104 11.87773 
1 1 1   15    3   38 o  282.904   6.7336  216.589   10.263  214.122   13.945  219.505   15.158  281.174   9.1781  284.634   9.8554 -3.459656 13.46723 
1 1 1   15    3   39 o  564.809   10.262  867.741   31.315  886.036   44.776  850.225   43.812  570.632   14.521  558.985   14.505 11.64606 20.52442 
1 1 1   15    3   40 o   47.656   11.890   1.3032   4.1172  -3.4668   4.9560   11.928   7.3966   29.816   13.653   65.495   19.470 -35.67830 23.78028 
1 1 1   15    3   41 o  185.394   5.1100   93.227   5.1103   96.173   7.0934   90.049   7.3685  188.459   6.9654  182.329   7.4788 6.129791 10.22007 
1 1 1   15    3   42 o  310.544   5.1099  261.295   8.5739  266.122   12.140  256.492   12.110  313.412   7.1685  307.676   7.2841 5.736420 10.21988 
1 1 1   15    3   43 o  149.121   5.5751   60.071   4.4827   55.359   6.1295   65.490   6.5727  142.855   7.9404  155.387   7.8279 -12.53200 11.15019 
1 1 1   15    3   44 f  217.174   4.9133  127.869   5.7628  133.022   8.1647  122.754   8.1351  221.547   6.8200  212.800   7.0746 8.746826 9.826662 
1 1 1   15    3   45 o  197.585   6.2411  103.024   6.1623   98.308   7.3430  114.257   11.332  190.370   7.1382  204.801   10.240 -14.43082 12.48218 
1 1 1   15    3   46 o  248.249   7.3512  167.201   9.8279  179.955   14.656  156.779   13.248  256.763   10.563  239.736   10.227 17.02689 14.70237 
1 1 1   15    3   47 o  121.421   9.9594   41.084   6.4458   34.144   9.2501   47.635   8.9870  111.106   15.407  131.736   12.625 -20.62943 19.91880 
1 1 1   15    3   48 o  235.669   5.0519  150.627   6.4246  162.090   9.2999  140.162   8.8859  244.247   7.0463  227.090   7.2412 17.15636 10.10377 
1 1 1   15    3   49 o   64.212   11.323   12.011   3.9178   12.832   5.3500   11.062   5.7531   66.629   15.196   61.794   16.791 4.835331 22.64675 
1 1 1   15    3   50 o  362.165   5.5542  356.821   10.858  373.959   15.811  341.528   14.936  370.358   7.9004  353.971   7.8089 16.38699 11.10838 
1 1 1   15    3   51 o  134.730   6.2401   49.594   4.5238   43.602   6.2583   56.151   6.5468  126.151   9.1808  143.309   8.4541 -17.15825 12.48030 
1 1 1   15    3   52 o  158.176   5.7450   68.234   4.9030   63.707   6.7391   73.325   7.1465  152.607   8.1723  163.746   8.0768 -11.13904 11.48999 
1 1 1   15    3   53 o   73.544   10.546   15.797   4.0475   16.902   5.7347   14.699   5.7133   76.318   14.435   70.770   15.379 5.548088 21.09222 
1 1 1   15    3   54 o   62.129   11.847   11.437   4.0850   9.9858   5.7044   12.965   5.8527   58.215   17.044   66.043   16.459 -7.828300 23.69356 
1 1 1   15    3   55 o  173.038   5.6442   82.198   5.2775   81.817   7.4378   82.584   7.4894  172.638   7.9729  173.439   7.9912 -0.8004303 11.28839 
1 1 1   15    3   56 o   84.077   10.015   20.546   4.3952   16.986   6.1842   24.179   6.2477   75.550   15.662   92.604   12.485 -17.05418 20.02995 
1 1 1   15    3   57 o   54.086   12.505   8.3419   4.3608   5.1843   6.1981   11.437   6.1365   46.820   17.772   61.351   17.596 -14.53033 25.00986 
1 1 1   15    3   58 o   73.186   10.901   16.951   4.6773   4.2736   6.7758   28.491   6.4645   45.958   18.258  100.414   11.914 -54.45618 21.80110 
1 1 1   15    3   59 o  243.777   5.5338  163.942   7.2850  166.488   10.522  161.598   10.097  245.524   7.9306  242.029   7.7200 3.494797 11.06766 
1 1 1   15    3   60 o   54.711   13.631   9.0721   5.0088   8.6670   6.9558   9.5085   7.2184   53.755   19.084   55.667   19.469 -1.912544 27.26214 
1 1 1   15    3   61 o  218.893   6.3854  133.941   7.5369  135.639   10.372  132.042   10.971  220.622   8.6999  217.165   9.3491 3.456360 12.77077 
1 1 1   15    3   62 o   57.482   12.392   8.2265   5.4692   19.917   7.5932  -4.3771   7.8843   78.738   18.209   36.225   16.813 42.51291 24.78436 
1 1 1   15    3   63 o   95.646   11.384   29.643   5.5552   37.311   7.7654   21.606   7.9502  111.679   12.868   79.614   18.784 32.06568 22.76853 
1 1 1   15    3   64 f   75.700   12.765   19.652   5.2996   13.585   7.5295   25.607   7.4605   62.063   19.858   89.337   16.044 -27.27354 25.52972 
1 1 1   15    4    0 o  836.285   10.170  1894.29   45.955  1910.85   65.614  1878.34   64.383  839.862   14.458  832.708   14.308 7.153809 20.34093 
1 1 1   15    4    1 o  414.423   5.5532  464.383   12.436  460.269   17.540  468.541   17.633  412.577   7.8676  416.269   7.8392 -3.692078 11.10646 
1 1 1   15    4    3 o  206.068   3.9075  114.828   4.3482  109.902   6.1479  119.757   6.1506  201.643   5.6423  210.494   5.4074 -8.850479 7.815071 
1 1 1   15    4    5 o  570.950   7.1972  881.117   22.190  859.009   30.701  905.298   32.109  563.466   10.083  578.433   10.273 -14.96729 14.39440 
1 1 1   15    4    6 o  494.897   6.3841  662.495   17.072  663.189   24.253  661.813   24.035  495.151   9.0644  494.642   8.9923 0.5093079 12.76811 
1 1 1   15    4    7 o  235.230   5.6165  149.570   7.1391   0.0000   0.0000  149.570   7.1391  ?   ?   235.230   5.6165      ?      ? 
1 1 1   15    4    9 o  599.561   7.5184  972.806   24.357  975.620   34.628  970.050   34.267  600.415   10.673  598.706   10.592 1.708984 15.03679 
1 1 1   15    4   11 o  411.925   5.5785  458.749   12.416  451.616   17.422  466.110   17.699  408.672   7.8895  415.178   7.8890 -6.506470 11.15708 
1 1 1   15    4   12 o  413.128   11.511  461.937   25.698   0.0000   0.0000  461.937   25.698  ?   ?   413.128   11.511      ?      ? 
1 1 1   15    4   13 o  425.440   8.2077  489.453   18.869   0.0000   0.0000  489.453   18.869  ?   ?   425.440   8.2077      ?      ? 
1 1 1   15    4   14 o  175.624   6.4733   83.377   6.1432   0.0000   0.0000   83.377   6.1432  ?   ?   175.624   6.4733      ?      ? 
1 1 1   15    4   16 o  1033.29   17.725  2894.18   98.967   0.0000   0.0000  2894.18   98.967  ?   ?   1033.29   17.725      ?      ? 
1 1 1   15    4   17 o  428.934   8.3866  497.450   19.438   0.0000   0.0000  497.450   19.438  ?   ?   428.934   8.3866      ?      ? 
1 1 1   15    4   18 o  557.959   10.224  841.971   30.824   0.0000   0.0000  841.971   30.824  ?   ?   557.959   10.224      ?      ? 
1 1 1   15    4   20 o  834.649   20.402  1888.51   92.018  1888.51   92.018   0.0000   0.0000  834.649   20.402  ?   ?       ?      ? 
1 1 1   15    4   21 f  514.899   9.3833  716.801   26.108   0.0000   0.0000  716.801   26.108  ?   ?   514.899   9.3833      ?      ? 
1 1 1   15    4   22 o  580.210   7.3170  910.338   22.940  907.988   32.326  912.722   32.560  579.457   10.324  580.963   10.372 -1.506409 14.63399 
1 1 1   15    4   23 o  1195.06   14.325  3872.27   92.502  3854.20  130.174  3890.71  131.471  1192.26   20.205  1197.87   20.311 -5.612427 28.64948 
1 1 1   15    4   24 o  376.222   7.4543  382.612   15.154   0.0000   0.0000  382.612   15.154  ?   ?   376.222   7.4543      ?      ? 
1 1 1   15    4   25 o  1141.90   13.702  3534.59   84.544  3514.55  118.822  3555.14  120.320  1138.64   19.312  1145.17   19.444 -6.529419 27.40446 
1 1 1   15    4   26 o  965.438   11.670  2523.98   60.865  2492.76   84.891  2557.01   87.314  959.315   16.376  971.560   16.631 -12.24591 23.34048 
1 1 1   15    4   27 o  1145.47   13.758  3557.93   85.128  3508.76  118.583  3610.21  122.280  1137.35   19.295  1153.60   19.616 -16.24866 27.51516 
1 1 1   15    4   28 o  912.317   11.075  2255.38   54.596  2260.44   77.308  2250.34   77.114  913.337   15.664  911.296   15.660 2.041260 22.14929 
1 1 1   15    4   29 o  584.973   7.4494  925.734   23.546  921.488   33.106  930.081   33.497  583.619   10.497  586.328   10.572 -2.709229 14.89873 
1 1 1   15    4   30 o  480.452   6.3755  624.177   16.551  633.972   23.595  614.689   23.222  484.162   9.0185  476.742   9.0143 7.419769 12.75108 
1 1 1   15    4   31 o  480.333   6.4240  622.624   16.650  650.614   24.358  598.075   22.812  490.437   9.1910  470.230   8.9776 20.20679 12.84802 
1 1 1   15    4   33 f  654.578   8.2299  1158.20   29.075  1199.03   42.403  1121.98   39.944  665.427   11.793  643.730   11.483 21.69794 16.45981 
1 1 1   15    4   34 o  777.546   9.5944  1634.23   40.223  1707.11   59.309  1572.16   54.734  793.500   13.832  761.592   13.300 31.90875 19.18886 
1 1 1   15    4   35 o  262.339   5.7453  185.931   7.9440  187.320   12.747  185.050   10.158  263.102   8.9662  261.576   7.1863 1.526337 11.49069 
1 1 1   15    4   36 o  170.105   6.7518   78.330   6.1858   78.041   8.4069   78.671   9.1345  169.778   9.1636  170.432   9.9185 -0.6542816 13.50366 
1 1 1   15    4   37 o  274.949   6.5923  204.795   9.7868  214.910   13.881  194.797   13.800  281.716   9.1186  268.183   9.5230 13.53339 13.18464 
1 1 1   15    4   38 o  331.974   6.3169  298.554   10.760  298.740   13.281  298.198   18.357  332.249   7.3972  331.699   10.242 0.5496216 12.63376 
1 1 1   15    4   39 o  333.490   5.2424  301.099   9.4464  304.696   13.344  297.485   13.375  335.492   7.3604  331.489   7.4669 4.003021 10.48472 
1 1 1   15    4   40 o  121.421   6.4341   39.781   4.2109   37.212   5.7157   42.831   6.2275  117.158   9.0284  125.685   9.1694 -8.527435 12.86812 
1 1 1   15    4   41 o  165.348   5.3344   73.902   4.7608   69.999   6.5579   78.250   6.9226  160.743   7.5499  169.954   7.5379 -9.210800 10.66871 
1 1 1   15    4   42 o  296.278   5.0716  237.890   8.1167  239.107   11.348  236.615   11.614  297.066   7.0692  295.490   7.2739 1.576233 10.14314 
1 1 1   15    4   43 o  151.854   5.6294   62.871   4.5955   68.359   6.3943   57.008   6.6090  158.780   7.4526  144.927   8.4391 13.85318 11.25876 
1 1 1   15    4   44 o  220.432   4.9749  131.729   5.9129  143.472   8.4539  120.482   8.2733  230.074   6.7999  210.789   7.2635 19.28510 9.949703 
1 1 1   15    4   45 o  195.617   5.1232  103.908   5.3988  114.535   7.7052   93.659   7.5668  205.485   6.9394  185.750   7.5387 19.73418 10.24631 
1 1 1   15    4   46 o  239.081   6.2931  158.417   7.6302  164.272   9.4012  147.117   13.061  245.998   7.0723  232.164   10.411 13.83330 12.58628 
1 1 1   15    4   47 o  397.672   8.4469  432.995   18.126  442.793   26.454  424.324   24.886  401.792   12.185  393.552   11.702 8.239990 16.89374 
1 1 1   15    4   48 o  295.078   7.5606  237.963   12.032  245.946   17.683  231.081   16.418  299.590   10.923  290.566   10.457 9.024628 15.12130 
1 1 1   15    4   49 o  304.022   5.2387  251.363   8.6007  245.353   11.903  257.929   12.442  300.245   7.3363  307.799   7.4803 -7.554504 10.47748 
1 1 1   15    4   50 o  207.470   5.1929  117.104   5.8144  114.866   7.9936  119.619   8.4730  205.399   7.2021  209.542   7.4830 -4.143311 10.38582 
1 1 1   15    4   51 o  198.131   5.2809  107.204   5.6430  115.111   7.9954   99.356   7.9654  205.485   7.2007  190.777   7.7267 14.70813 10.56178 
1 1 1   15    4   52 o  189.555   5.3331   98.058   5.4569   96.700   7.5258   99.564   7.9241  188.209   7.3999  190.900   7.6817 -2.690887 10.66615 
1 1 1   15    4   53 o   88.253   9.0898   21.668   4.3164   20.439   5.7888   23.206   6.4777   85.531   12.525   90.976   13.177 -5.445183 18.17960 
1 1 1   15    4   54 o  223.963   5.1746  137.266   6.2577  139.870   8.7355  134.521   8.9685  226.209   7.1465  221.717   7.4857 4.492020 10.34928 
1 1 1   15    4   55 o  121.000   7.1148   40.496   4.6462   38.527   6.3839   42.714   6.7750  117.892   10.021  124.108   10.102 -6.215919 14.22952 
1 1 1   15    4   56 o  202.116   5.4426  112.249   5.9437  113.929   8.4041  110.567   8.4072  203.656   7.6367  200.577   7.7568 3.079559 10.88520 
1 1 1   15    4   57 o  208.603   8.0908  119.858   9.1201  119.858   9.1201   0.0000   0.0000  208.603   8.0908  ?   ?       ?      ? 
1 1 1   15    4   58 o  298.060   5.6748  243.995   9.1147  262.262   13.517  228.761   12.343  308.168   8.1169  287.953   7.9328 20.21512 11.34959 
1 1 1   15    4   59 f  196.214   6.1810  106.847   6.5521  110.081   9.3505  103.727   9.1838  199.162   8.6884  193.267   8.7938 5.895309 12.36204 
1 1 1   15    4   60 o   42.932   12.812   2.4604   5.1057   3.4150   6.9322   1.3286   7.5482   43.848   18.082   42.015   18.157 1.833031 25.62488 
1 1 1   15    4   62 o   48.967   13.214   5.3679   5.4728   11.603   7.3659  -2.3162   8.1769   59.311   19.688   38.623   17.630 20.68745 26.42777 
1 1 1   15    4   63 o  117.788   8.8666   41.021   5.6413   42.439   8.0080   39.625   7.9482  119.957   12.354  115.619   12.722 4.338287 17.73329 
1 1 1   15    4   64 o   89.956   11.186   25.859   5.3282   24.997   7.4454   26.764   7.6284   87.629   16.324   92.283   15.298 -4.653580 22.37185 
1 1 1   15    5    0 o  503.763   6.5026  686.362   17.699  690.897   25.271  681.996   24.796  505.393   9.2535  502.134   9.1384 3.258881 13.00527 
1 1 1   15    5    1 o  580.029   7.3216  910.285   22.947  912.422   32.598  908.186   32.309  580.701   10.388  579.357   10.320 1.344055 14.64319 
1 1 1   15    5    2 o  796.370   9.7349  1717.59   41.887  1697.14   58.639  1738.89   59.853  791.540   13.710  801.199   13.825 -9.658875 19.46988 
1 1 1   15    5    3 o  850.838   10.370  1961.60   47.671  1973.84   67.978  1949.75   66.869  853.437   14.740  848.239   14.589 5.198364 20.73912 
1 1 1   15    5    5 o  454.037   5.9999  557.534   14.719  559.614   20.989  555.522   20.646  454.867   8.5393  453.207   8.4306 1.659729 11.99978 
1 1 1   15    5    6 o  373.829   5.2444  377.839   10.591  379.623   15.179  376.147   14.785  374.686   7.4969  372.973   7.3357 1.713135 10.48885 
1 1 1   15    5    8 o  115.464   4.2031   36.056   2.5988   35.911   3.9452   36.167   3.4542  115.255   6.3345  115.673   5.5262 -0.4181519 8.406297 
1 1 1   15    5    9 o  838.059   10.211  1902.86   46.239  1888.22   64.978  1917.88   65.815  834.800   14.404  841.318   14.477 -6.517944 20.42226 
1 1 1   15    5   10 o  355.649   7.2188  341.981   13.873   0.0000   0.0000  341.981   13.873  ?   ?   355.649   7.2188      ?      ? 
1 1 1   15    5   11 o  310.760   9.9872  261.261   16.771   0.0000   0.0000  261.261   16.771  ?   ?   310.760   9.9872      ?      ? 
1 1 1   15    5   13 o  965.101   16.589  2524.90   86.513   0.0000   0.0000  2524.90   86.513  ?   ?   965.101   16.589      ?      ? 
1 1 1   15    5   15 o  958.666   16.459  2490.15   85.265   0.0000   0.0000  2490.15   85.265  ?   ?   958.666   16.459      ?      ? 
1 1 1   15    5   16 o  725.152   12.782  1423.12   50.086   0.0000   0.0000  1423.12   50.086  ?   ?   725.152   12.782      ?      ? 
1 1 1   15    5   19 o  576.177   10.538  897.773   32.809   0.0000   0.0000  897.773   32.809  ?   ?   576.177   10.538      ?      ? 
1 1 1   15    5   20 o  426.813   7.2197  500.936   16.257  448.649   25.128  538.573   21.319  407.291   11.418  446.336   8.8394 -39.04501 14.43935 
1 1 1   15    5   21 o  1003.14   17.243  2715.10   93.034  2898.65  139.966  2569.82  124.524  1033.19   25.070  973.088   23.682 60.10565 34.48665 
1 1 1   15    5   22 o  1366.55   16.368  5068.62  120.864  5079.25  171.360  5058.11  170.498  1367.96   23.182  1365.13   23.113 2.831055 32.73544 
1 1 1   15    5   23 o  588.193   7.4457  935.112   23.655  953.204   34.075  918.283   32.864  593.676   10.622  582.710   10.437 10.96637 14.89133 
1 1 1   15    5   24 o  249.145   6.0936  167.767   8.2039   0.0000   0.0000  167.767   8.2039  ?   ?   249.145   6.0936      ?      ? 
1 1 1   15    5   25 o  547.482   7.0129  810.434   20.745  819.976   29.586  801.206   29.096  550.650   9.9431  544.314   9.8924 6.336182 14.02582 
1 1 1   15    5   26 o  740.115   12.908  1482.46   51.623   0.0000   0.0000  1482.46   51.623  ?   ?   740.115   12.908      ?      ? 
1 1 1   15    5   27 o  287.695   4.6691  223.659   7.2567  231.087   10.361  216.506   10.167  292.383   6.5577  283.007   6.6483 9.376221 9.338273 
1 1 1   15    5   28 o  433.575   5.9070  508.075   13.836  520.538   19.847  496.290   19.298  438.745   8.3713  428.405   8.3363 10.33929 11.81408 
1 1 1   15    5   29 o  149.955   4.9268   60.931   3.9820   63.451   5.5144   58.185   5.7562  153.206   6.6609  146.703   7.2612 6.502579 9.853597 
1 1 1   15    5   30 o  356.438   5.2771  343.509   10.164  347.104   14.393  339.935   14.354  358.299   7.4342  354.577   7.4916 3.721313 10.55416 
1 1 1   15    5   31 o  373.082   5.4793  376.345   11.046  380.703   15.706  372.081   15.538  375.219   7.7463  370.945   7.7516 4.273743 10.95866 
1 1 1   15    5   32 o  289.069   5.7398  224.657   8.6914  231.306   14.249  220.717   10.968  292.424   9.0175  285.714   7.1041 6.709290 11.47966 
1 1 1   15    5   33 o  627.789   11.104  1066.43   37.595  1115.54   55.332  1024.32   51.239  641.129   15.972  614.449   15.432 26.68024 22.20898 
1 1 1   15    5   34 o  409.121   7.8988  450.516   17.400  486.036   25.980  421.622   23.432  423.642   11.349  394.601   10.989 29.04135 15.79751 
1 1 1   15    5   35 o  815.738   14.146  1801.97   62.055  1925.90   93.468  1704.28   82.982  840.458   20.581  791.017   19.414 49.44110 28.29231 
1 1 1   15    5   36 o  201.413   5.7450  111.097   6.0101  114.785   7.5934  104.910   9.8338  205.993   6.8217  196.832   9.2456 9.160248 11.48990 
1 1 1   15    5   37 o  677.341   8.5084  1242.64   31.107  1284.33   45.311  1205.48   42.782  688.034   12.187  666.648   11.876 21.38647 17.01684 
1 1 1   15    5   38 o  295.639   5.0340  236.515   8.0403  243.276   11.421  229.873   11.321  299.832   7.0494  291.447   7.1883 8.385895 10.06809 
1 1 1   15    5   39 o  192.935   5.0463  100.898   5.2524  107.175   7.4101   94.560   7.4460  198.986   6.8915  186.883   7.3733 12.10248 10.09253 
1 1 1   15    5   40 o  196.920   4.9905  105.096   5.3042  110.519   7.4826   99.619   7.5199  202.043   6.8536  191.797   7.2558 10.24580 9.980928 
1 1 1   15    5   41 o  248.968   4.9565  167.728   6.6585  180.784   9.5669  155.462   9.2730  258.369   6.8524  239.567   7.1632 18.80281 9.912975 
1 1 1   15    5   42 o   52.336   11.638   7.4704   3.7036   8.6533   4.9853   6.0134   5.5328   55.490   15.842   49.183   17.053 6.306839 23.27669 
1 1 1   15    5   43 o  208.733   4.9975  118.147   5.6322  119.523   7.8359  116.676   8.1009  210.007   6.9051  207.460   7.2262 2.546295 9.994908 
1 1 1   15    5   44 o  471.569   6.4298  603.773   16.373  622.094   23.703  587.053   22.643  478.380   9.1695  464.759   9.0161 13.62137 12.85962 
1 1 1   15    5   45 o  207.421   5.0852  116.717   5.6919  125.275   8.1472  108.557   7.9554  214.868   7.0169  199.975   7.3620 14.89325 10.17039 
1 1 1   15    5   46 o  188.582   6.8184   93.395   6.2580   89.076   7.3154  105.180   12.084  181.086   7.4760  196.079   11.405 -14.99275 13.63684 
1 1 1   15    5   47 o  121.969   10.327   41.145   6.7985   39.550   9.7074   42.680   9.5244  119.568   15.024  124.370   14.172 -4.802292 20.65376 
1 1 1   15    5   48 o  207.188   7.8652  116.547   8.7580  131.126   13.232  105.180   11.684  218.574   11.203  195.802   11.043 22.77187 15.73042 
1 1 1   15    5   49 o  404.469   7.4694  442.399   15.004  465.540   27.544  432.634   17.892  410.700   12.411  398.239   8.3143 12.46085 14.93886 
1 1 1   15    5   50 o  148.472   6.0194   60.427   4.8117   63.556   6.6464   56.981   6.9749  152.610   8.0596  144.335   8.9430 8.274963 12.03886 
1 1 1   15    5   51 o  145.973   6.0294   58.541   4.7069   69.143   6.7340   48.412   6.5818  159.092   7.8332  132.853   9.1682 26.23868 12.05884 
1 1 1   15    5   52 o   95.481   8.5974   26.024   4.3083   30.217   5.7996   20.861   6.4357  104.684   10.253   86.278   13.804 18.40563 17.19488 
1 1 1   15    5   53 f  176.323   5.6694   85.943   5.3522   95.380   7.3954   75.564   7.7558  186.780   7.3273  165.865   8.6534 20.91553 11.33887 
1 1 1   15    5   54 o  202.633   5.3525  112.522   5.8561  116.659   8.2380  108.295   8.3263  206.467   7.3839  198.799   7.7508 7.667664 10.70502 
1 1 1   15    5   55 o  192.426   5.5282  101.741   5.7436  104.530   8.0416   98.837   8.2064  195.195   7.6240  189.656   8.0075 5.538361 11.05650 
1 1 1   15    5   56 o  129.381   7.0588   46.592   4.9304   48.300   6.9232   44.834   7.0231  131.887   9.7145  126.876   10.244 5.011063 14.11755 
1 1 1   15    5   57 o  267.847   5.3786  197.152   7.7841  200.810   11.085  193.593   10.933  270.308   7.5894  265.387   7.6237 4.921509 10.75728 
1 1 1   15    5   58 o   51.021   12.793   6.9865   4.5482   9.9600   6.4902   4.1170   6.3756   57.308   18.447   44.734   17.730 12.57452 25.58617 
1 1 1   15    5   59 o  169.605   6.3765   80.298   5.8286   85.596   8.1682   74.803   8.3196  175.542   8.6111  163.669   9.4069 11.87206 12.75306 
1 1 1   15    5   60 o   27.506   9.5454 -12.6869   4.9390  -8.5771   6.5165 -18.2346   7.5712   28.889   13.936   26.123   13.048 2.765652 19.09073 
1 1 1   15    5   62 o   50.059   13.408   6.2562   5.2835   1.1062   7.0732   12.757   7.9469   39.620   17.343   60.498   20.453 -20.87745 26.81620 
1 1 1   15    5   63 o   59.217   13.962   11.837   5.2410   12.242   7.3104   11.409   7.5177   60.147   19.597   58.287   19.893 1.859589 27.92410 
1 1 1   15    5   64 o  123.044   8.5358   45.294   5.6714   46.956   8.0088   43.622   8.0324  125.570   11.803  120.517   12.334 5.053185 17.07163 
1 1 1   15    6    1 o  776.032   9.5174  1631.05   39.903  1648.65   57.096  1614.26   55.789  780.109   13.545  771.955   13.374 8.153320 19.03485 
1 1 1   15    6    3 o   97.615   4.9512   24.971   2.5631   32.968   4.0098   19.446   3.3330  110.426   6.7199   84.805   7.2732 25.62135 9.902335 
1 1 1   15    6    4 o  362.062   5.1761  354.494   10.125  352.124   14.415  356.802   14.225  360.864   7.3926  363.259   7.2468 -2.394775 10.35212 
1 1 1   15    6    5 o  371.037   5.2443  372.095   10.509  376.767   15.158  367.771   14.581  373.275   7.5151  368.800   7.3167 4.475159 10.48864 
1 1 1   15    6    6 o  589.098   7.4640  938.646   23.749  953.439   34.213  924.890   32.992  593.565   10.667  584.630   10.443 8.934753 14.92797 
1 1 1   15    6    7 o  602.470   7.6151  982.099   24.787  989.182   35.455  975.329   34.666  604.587   10.852  600.353   10.686 4.233521 15.23027 
1 1 1   15    6    8 o  504.043   6.5869  687.198   17.939  688.848   25.559  685.596   25.184  504.635   9.3729  503.450   9.2573 1.185333 13.17377 
1 1 1   15    6    9 o  592.502   7.5027  949.892   24.020  951.364   34.133  948.448   33.809  592.953   10.653  592.051   10.568 0.9020996 15.00542 
1 1 1   15    6   10 o  347.514   6.4634  322.314   11.114  316.078   13.214  337.387   20.546  341.919   7.1521  353.108   10.768 -11.18866 12.92672 
1 1 1   15    6   11 o  198.664   6.0616  104.765   5.6011  102.928   6.4214  110.608   11.453  195.135   6.0899  202.192   10.483 -7.056519 12.12317 
1 1 1   15    6   12 o  774.328   11.719  1634.61   46.411  1595.72   79.241  1654.91   57.259  766.865   19.122  781.791   13.554 -14.92511 23.43880 
1 1 1   15    6   13 o  419.089   6.6150  429.375   11.921  552.928   28.426  403.006   13.132  452.048   11.637  386.130   6.2938 65.91846 13.23005 
1 1 1   15    6   14 o  562.860   7.1830  856.432   21.847   0.0000   0.0000  856.432   21.847  ?   ?   562.860   7.1830      ?      ? 
1 1 1   15    6   15 o  189.146   5.7769   96.694   5.9044   0.0000   0.0000   96.694   5.9044  ?   ?   189.146   5.7769      ?      ? 
1 1 1   15    6   16 o  458.376   8.6768  568.093   21.492   0.0000   0.0000  568.093   21.492  ?   ?   458.376   8.6768      ?      ? 
1 1 1   15    6   18 o  253.710   7.2181  173.988   9.8957   0.0000   0.0000  173.988   9.8957  ?   ?   253.710   7.2181      ?      ? 
1 1 1   15    6   20 o  565.406   8.4272  864.217   25.747   0.0000   0.0000  864.217   25.747  ?   ?   565.406   8.4272      ?      ? 
1 1 1   15    6   21 o  736.915   12.861  1467.84   51.137  1410.81   69.997  1533.11   74.887  721.628   17.951  752.201   18.424 -30.57288 25.72297 
1 1 1   15    6   22 o  278.489   5.1801  208.546   7.5374  205.431   9.4807  213.896   12.426  275.694   6.3639  281.285   8.1753 -5.590668 10.36026 
1 1 1   15    6   23 o  795.439   13.775  1712.37   59.209   0.0000   0.0000  1712.37   59.209  ?   ?   795.439   13.775      ?      ? 
1 1 1   15    6   24 o  421.632   5.7458  480.273   13.086  469.419   18.192  491.909   18.837  416.700   8.0792  426.563   8.1721 -9.862640 11.49161 
1 1 1   15    6   25 o  510.714   6.6462  705.230   18.340  698.749   25.730  711.922   26.148  508.331   9.3672  513.097   9.4309 -4.766083 13.29236 
1 1 1   15    6   26 o  389.158   5.4716  409.390   11.505  414.255   16.383  404.656   16.161  391.438   7.7455  386.877   7.7305 4.561066 10.94322 
1 1 1   15    6   27 o  300.430   6.7974  243.998   11.035   0.0000   0.0000  243.998   11.035  ?   ?   300.430   6.7974      ?      ? 
1 1 1   15    6   29 o  118.974   6.5140   39.959   4.0063   30.405   6.1340   47.066   5.2905  106.008   10.708  131.940   7.4205 -25.93144 13.02802 
1 1 1   15    6   30 o  582.064   10.355  917.578   32.557  934.234   46.854  902.027   45.272  587.154   14.767  576.973   14.521 10.18127 20.71057 
1 1 1   15    6   31 o  141.438   6.5285   54.107   4.9431   44.707   6.8351   64.414   7.1574  128.550   9.8397  154.327   8.5827 -25.77763 13.05692 
1 1 1   15    6   32 o  610.654   10.819  1007.90   35.610  1057.66   52.665  965.991   48.333  624.446   15.608  596.863   14.986 27.58246 21.63752 
1 1 1   15    6   33 o  272.329   5.6496  201.866   8.1022  206.458   10.419  194.842   12.886  276.309   6.9784  268.350   8.8868 7.958893 11.29924 
1 1 1   15    6   34 o  144.962   5.5729   57.057   4.3345   65.291   6.1595   48.980   6.1007  155.373   7.3364  134.551   8.3908 20.82204 11.14579 
1 1 1   15    6   35 o  327.801   7.3758  290.706   13.065   0.0000   0.0000  290.706   13.065  ?   ?   327.801   7.3758      ?      ? 
1 1 1   15    6   36 o  381.429   5.5860  393.473   11.509  406.467   16.522  381.220   16.043  387.544   7.8893  375.314   7.9103 12.23053 11.17204 
1 1 1   15    6   37 o   52.231   11.205   7.1309   3.6941   11.034   5.1526   3.0032   5.2990   62.459   15.371   42.003   16.306 20.45583 22.40906 
1 1 1   15    6   38 o  505.566   6.7166  691.793   18.333  715.581   26.609  670.295   25.296  513.814   9.5837  497.318   9.4129 16.49634 13.43320 
1 1 1   15    6   39 o  227.561   4.8748  140.129   5.9889  148.667   8.5620  131.951   8.3800  234.353   6.7611  220.768   7.0246 13.58511 9.749695 
1 1 1   15    6   40 o  354.668   5.3775  340.069   10.295  356.596   14.987  325.305   14.166  362.805   7.6447  346.531   7.5649 16.27328 10.75494 
1 1 1   15    6   41 o  190.929   5.0989   98.825   5.2528   99.849   7.2564   97.697   7.6138  191.984   6.9946  189.873   7.4208 2.111404 10.19772 
1 1 1   15    6   42 o   80.927   8.8291   17.856   3.8540   17.639   5.2791   18.105   5.6393   80.421   12.148   81.433   12.816 -1.011559 17.65819 
1 1 1   15    6   43 o  279.297   5.0297  211.473   7.5886  218.456   10.771  204.592   10.693  283.887   7.0216  274.707   7.2034 9.179535 10.05943 
1 1 1   15    6   44 o  154.119   5.6129   64.789   4.6328   75.279   6.5895   54.535   6.5148  166.569   7.3210  141.669   8.5101 24.89970 11.22583 
1 1 1   15    6   45 o  182.490   5.1917   90.478   5.1148   94.997   7.2349   85.962   7.2320  187.071   7.1571  177.908   7.5226 9.162247 10.38340 
1 1 1   15    6   46 o  117.887   6.7503   38.168   4.2669   42.304   5.9249   33.712   6.1500  124.650   8.7963  111.124   10.242 13.52578 13.50068 
1 1 1   15    6   47 o  306.211   7.8467  256.717   12.979  261.712   18.651  252.027   18.074  309.072   11.167  303.352   11.026 5.719879 15.69347 
1 1 1   15    6   48 f  158.463   9.2133   69.365   7.8885   70.495   11.234   68.266   11.080  159.741   13.014  157.186   13.045 2.554764 18.42651 
1 1 1   15    6   49 o  265.509   6.7066  189.395   8.7730  201.622   16.380  184.476   10.389  270.738   11.196  260.279   7.3864 10.45883 13.41315 
1 1 1   15    6   50 o  234.487   5.1385  149.559   6.4955  164.668   9.3926  135.710   8.9925  245.870   7.0695  223.104   7.4591 22.76588 10.27696 
1 1 1   15    6   51 o   47.207   11.599   5.2902   3.9064   8.9574   5.3584   1.1303   5.7070   55.669   16.577   38.745   16.227 16.92430 23.19721 
1 1 1   15    6   52 o  126.743   6.5576   44.133   4.4828   43.545   6.1372   44.807   6.5635  125.897   9.0212  127.590   9.5199 -1.692146 13.11528 
1 1 1   15    6   53 o   40.407   11.415   2.2238   3.8551  -0.0630   5.2948   4.8036   5.6238   35.330   15.238   45.484   17.002 -10.15367 22.83075 
1 1 1   15    6   54 o   56.741   11.932   9.5405   3.9857   11.270   5.4499   7.5514   5.8441   61.506   16.180   51.976   17.540 9.529728 23.86318 
1 1 1   15    6   55 o   88.115   10.094   23.592   4.4311   31.177   6.0811   15.006   6.4700  105.792   10.638   70.437   17.157 35.35427 20.18742 
1 1 1   15    6   56 o  127.517   6.9270   45.043   4.7594   43.314   6.4454   47.117   7.0578  124.924   9.5481  130.111   10.038 -5.187164 13.85409 
1 1 1   15    6   57 o  128.129   7.0671   45.738   4.8906   47.388   6.9203   44.091   6.9124  130.508   9.8130  125.750   10.173 4.758133 14.13429 
1 1 1   15    6   58 o  100.660   8.8892   28.946   4.8234   29.864   6.6710   27.941   6.9822  102.554   12.038   98.764   13.083 3.790100 17.77846 
1 1 1   15    6   59 o   37.901   11.793  -1.0035   4.8432   2.5147   6.6679  -4.9323   7.0463   42.086   17.576   33.715   15.730 8.371552 23.58694 
1 1 1   15    6   60 o  112.055   9.5126   37.658   5.5069   47.475   7.5949   26.775   7.9965  129.351   10.866   94.758   15.617 34.59324 19.02518 
1 1 1   15    6   61 o   35.981   11.746  -4.8084   5.5226  -0.4319   7.0835 -11.5920   8.8190   38.803   17.156   33.158   16.048 5.645214 23.49167 
1 1 1   15    6   62 o   52.027   13.429   7.7545   5.2364   2.4781   7.0506   14.245   7.8196   41.072   17.648   62.981   20.246 -21.90936 26.85811 
1 1 1   15    6   63 o   40.126   12.375   0.6876   5.1959   3.9753   7.1750  -2.9379   7.5345   44.137   18.315   36.114   16.646 8.022659 24.74940 
1 1 1   15    7    0 o  415.980   5.6933  467.652   12.789  476.074   18.488  459.924   17.710  419.564   8.1544  412.396   7.9472 7.168243 11.38650 
1 1 1   15    7    1 o  280.817   4.6026  213.165   6.9820  214.199   10.013  212.187   9.7407  281.478   6.5831  280.157   6.4343 1.321259 9.205262 
1 1 1   15    7    2 o  219.234   4.3063  129.962   5.0966  129.089   7.3572  130.768   7.0669  218.522   6.2306  219.945   5.9461 -1.422638 8.612527 
1 1 1   15    7    3 f  213.505   6.2079  123.228   7.1622  123.228   7.1622   0.0000   0.0000  213.505   6.2079  ?   ?       ?      ? 
1 1 1   15    7    4 o  876.810   10.705  2083.38   50.715  2100.56   72.432  2066.84   71.032  880.341   15.226  873.278   15.053 7.063721 21.41075 
1 1 1   15    7    6 o  597.584   10.695  966.301   34.537   0.0000   0.0000  966.301   34.537  ?   ?   597.584   10.695      ?      ? 
1 1 1   15    7    7 f  938.226   11.378  2384.70   57.649  2432.74   83.308  2340.55   79.857  947.250   16.276  929.202   15.904 18.04828 22.75608 
1 1 1   15    7    9 o  308.660   6.2652  253.318   9.5345  247.297   11.295  268.243   17.784  302.447   6.9111  314.873   10.452 -12.42578 12.53038 
1 1 1   15    7   10 f  231.318   10.285  144.752   12.856   0.0000   0.0000  144.752   12.856  ?   ?   231.318   10.285      ?      ? 
1 1 1   15    7   11 o  931.455   13.914  2363.85   66.230  2324.32  113.468  2384.27   81.565  924.863   22.704  938.046   16.091 -13.18347 27.82842 
1 1 1   15    7   12 o  513.318   8.4787  696.065   21.249  752.477   40.487  674.619   24.964  527.173   14.213  499.463   9.2495 27.70984 16.95748 
1 1 1   15    7   13 o  517.679   7.8123  724.523   21.854   0.0000   0.0000  724.523   21.854  ?   ?   517.679   7.8123      ?      ? 
1 1 1   15    7   14 o  833.784   10.183  1880.26   45.878   0.0000   0.0000  1880.26   45.878  ?   ?   833.784   10.183      ?      ? 
1 1 1   15    7   15 o  645.274   11.379  1126.37   39.679   0.0000   0.0000  1126.37   39.679  ?   ?   645.274   11.379      ?      ? 
1 1 1   15    7   16 o  657.923   8.2286  1170.22   29.254   0.0000   0.0000  1170.22   29.254  ?   ?   657.923   8.2286      ?      ? 
1 1 1   15    7   17 o  254.998   4.4061  175.712   6.0713   0.0000   0.0000  175.712   6.0713  ?   ?   254.998   4.4061      ?      ? 
1 1 1   15    7   18 f  590.976   7.5151  944.034   23.999   0.0000   0.0000  944.034   23.999  ?   ?   590.976   7.5151      ?      ? 
1 1 1   15    7   19 o  622.600   11.041  1048.32   37.145   0.0000   0.0000  1048.32   37.145  ?   ?   622.600   11.041      ?      ? 
1 1 1   15    7   20 o  505.887   6.6525  691.717   18.186   0.0000   0.0000  691.717   18.186  ?   ?   505.887   6.6525      ?      ? 
1 1 1   15    7   21 o  690.381   12.112  1289.41   45.185   0.0000   0.0000  1289.41   45.185  ?   ?   690.381   12.112      ?      ? 
1 1 1   15    7   22 o  386.428   10.257  403.829   21.418   0.0000   0.0000  403.829   21.418  ?   ?   386.428   10.257      ?      ? 
1 1 1   15    7   23 o   94.463   7.5941   24.122   3.8764   0.0000   0.0000   24.122   3.8764  ?   ?    94.463   7.5941      ?      ? 
1 1 1   15    7   24 o  713.722   8.8575  1375.66   34.112  1329.94   46.757  1427.69   49.879  701.084   12.342  726.361   12.708 -25.27667 17.71494 
1 1 1   15    7   25 o  817.776   12.243  1807.69   50.900  1827.25   88.731  1798.09   62.140  820.628   20.010  814.924   14.111 5.704529 24.48508 
1 1 1   15    7   26 o  704.786   12.283  1325.04   46.202  1216.67   59.933  1483.78   72.537  669.959   16.555  739.613   18.150 -69.65454 24.56571 
1 1 1   15    7   27 o  410.660   7.7803  456.319   17.262  455.631   24.642  456.982   24.188  410.350   11.113  410.970   10.892 -0.6201477 15.56057 
1 1 1   15    7   28 o  440.898   8.2801  510.329   19.349  450.000   24.605  608.108   31.324  407.804   11.166  473.992   12.230 -66.18759 16.56026 
1 1 1   15    7   29 o  503.504   9.1738  684.856   24.923  657.207   34.130  716.441   36.480  492.656   12.821  514.352   13.125 -21.69540 18.34764 
1 1 1   15    7   30 o  297.931   9.0273  240.090   14.533   0.0000   0.0000  240.090   14.533  ?   ?   297.931   9.0273      ?      ? 
1 1 1   15    7   31 o  266.565   6.8751  192.119   9.9031   0.0000   0.0000  192.119   9.9031  ?   ?   266.565   6.8751      ?      ? 
1 1 1   15    7   32 o  715.820   8.9594  1387.01   34.622  1418.66   50.280  1358.46   47.745  723.548   12.860  708.092   12.478 15.45587 17.91872 
1 1 1   15    7   33 o  675.897   8.4920  1236.97   31.005  1258.34   44.569  1216.93   43.159  681.537   12.102  670.256   11.916 11.28082 16.98407 
1 1 1   15    7   34 o  394.340   5.6868  420.618   12.115  427.112   17.352  414.442   16.923  397.306   8.0826  391.374   8.0018 5.931854 11.37352 
1 1 1   15    7   35 o  640.378   8.1057  1110.41   28.023  1142.25   40.713  1081.75   38.629  649.062   11.608  631.694   11.317 17.36792 16.21148 
1 1 1   15    7   36 f  382.227   5.6074  393.550   11.549  420.577   17.136  371.056   15.633  394.184   8.0450  370.269   7.8133 23.91440 11.21473 
1 1 1   15    7   37 o  474.714   6.4315  608.734   16.469  639.640   24.183  582.002   22.491  485.903   9.2102  463.525   8.9793 22.37778 12.86295 
1 1 1   15    7   38 o  100.111   7.3432   27.269   3.9606   25.728   5.7141   28.695   5.4947   97.361   10.861  102.862   9.8856 -5.500687 14.68640 
1 1 1   15    7   39 o  284.320   5.0278  217.783   7.7041  235.251   11.405  203.125   10.448  294.747   7.1610  273.892   7.0594 20.85492 10.05556 
1 1 1   15    7   40 f  110.579   6.8050   33.201   3.9979   41.734   5.8280   25.617   5.4945  124.051   8.6942   97.107   10.471 26.94450 13.60996 
1 1 1   15    7   41 o  207.384   4.9720  116.537   5.5713  117.412   7.9394  115.688   7.8200  208.148   7.0587  206.620   7.0040 1.528519 9.943909 
1 1 1   15    7   42 o  173.352   5.3514   81.447   4.9915   91.941   7.1865   71.666   6.9381  184.163   7.2215  162.540   7.8993 21.62289 10.70280 
1 1 1   15    7   43 o  195.176   5.0848  103.250   5.3524  112.295   7.6753   94.687   7.4678  203.514   6.9793  186.838   7.3968 16.67569 10.16970 
1 1 1   15    7   44 o  110.472   7.0048   33.232   4.1800   32.043   5.8389   34.482   5.9867  108.440   9.9645  112.504   9.8476 -4.063416 14.00951 
1 1 1   15    7   45 o  207.374   5.1542  116.734   5.7719  122.788   8.2471  110.922   8.0807  212.658   7.1768  202.090   7.3998 10.56784 10.30839 
1 1 1   15    7   46 o  315.457   5.2682  269.855   8.9710  284.735   13.037  256.473   12.363  323.698   7.4535  307.215   7.4473 16.48303 10.53648 
1 1 1   15    7   47 o  185.980   7.2036   96.276   6.4202   98.296   7.5567   91.036   12.173  190.107   7.3560  181.852   12.388 8.254852 14.40719 
1 1 1   15    7   48 o  172.119   8.8681   81.600   8.2324   88.941   11.922   74.910   11.382  179.575   12.286  164.662   12.791 14.91356 17.73619 
1 1 1   15    7   49 o   61.759   15.257   9.2562   6.8214   15.829   9.2760   1.5162   10.066   73.200   21.814   50.317   21.337 22.88272 30.51373 
1 1 1   15    7   50 o  214.809   5.1571  125.817   5.9855  124.333   8.3939  127.353   8.5375  213.525   7.2749  216.093   7.3114 -2.568161 10.31415 
1 1 1   15    7   51 o   46.790   12.068   5.1373   4.0023   3.5665   5.5212   6.8769   5.8100   42.832   16.640   50.748   17.482 -7.915649 24.13571 
1 1 1   15    7   52 o  196.297   5.3714  105.338   5.6929  103.513   7.8662  107.345   8.2494  194.550   7.4825  198.044   7.7085 -3.494370 10.74287 
1 1 1   15    7   53 o  193.005   5.4610  102.203   5.6846  106.335   7.9128   97.796   8.1720  197.141   7.4279  188.869   8.0072 8.272278 10.92191 
1 1 1   15    7   54 o  230.859   5.2569  146.106   6.5550  148.190   9.1783  143.936   9.3647  232.597   7.3025  229.120   7.5639 3.476303 10.51373 
1 1 1   15    7   55 o  137.020   6.5690   51.779   4.8493   49.559   6.5602   54.454   7.2002  133.872   9.0686  140.169   9.5062 -6.297394 13.13800 
1 1 1   15    7   56 o   39.480   11.627   1.5838   4.1633   3.1812   5.6760  -0.2764   6.1251   41.795   16.677   37.165   16.206 4.630863 23.25440 
1 1 1   15    7   57 f  194.933   5.6695  104.879   5.9632  112.347   8.4988   97.637   8.3691  201.883   7.7906  187.983   8.2390 13.90030 11.33904 
1 1 1   15    7   58 o  137.914   7.1281   53.241   5.3091   52.859   7.3750   53.653   7.6489  137.472   9.9279  138.355   10.231 -0.8827209 14.25610 
1 1 1   15    7   59 o  173.410   6.3245   84.165   5.9253   84.466   8.3104   83.853   8.4506  173.789   8.8494  173.031   9.0381 0.7581482 12.64906 
1 1 1   15    7   60 f   73.435   18.833   17.275   7.5090   17.275   7.5090   0.0000   0.0000   73.435   18.833  ?   ?       ?      ? 
1 1 1   15    7   61 o   56.708   13.960   9.9890   5.2346   8.2163   6.9839   12.262   7.9076   52.398   19.057   61.018   20.404 -8.620022 27.91920 
1 1 1   15    7   62 o  150.333   7.3861   65.386   5.9825   69.329   8.3544   61.235   8.5708  155.445   9.9461  145.220   10.922 10.22466 14.77218 
1 1 1   15    7   63 o  152.539   9.8414   72.157   7.8985   85.405   10.895   57.477   11.468  169.962   11.862  135.116   15.707 34.84605 19.68283 
1 1 1   15    8    0 o  652.359   11.518  1152.87   40.578  1126.35   56.201  1181.76   58.648  644.550   16.136  660.169   16.440 -15.61908 23.03607 
1 1 1   15    8    1 o  597.879   15.049  968.693   48.620   0.0000   0.0000  968.693   48.620  ?   ?   597.879   15.049      ?      ? 
1 1 1   15    8    2 o  125.476   5.1973   42.437   3.5145   44.280   5.2025   40.890   4.7666  127.972   7.5233  122.980   7.1727 4.991875 10.39462 
1 1 1   15    8    3 o  833.057   10.206  1880.00   45.941  1865.63   64.558  1894.74   65.392  829.838   14.397  836.275   14.471 -6.436829 20.41248 
1 1 1   15    8    4 o  494.538   6.5332  661.500   17.459  655.559   24.624  667.505   24.757  492.304   9.2564  496.771   9.2224 -4.467621 13.06650 
1 1 1   15    8    5 o  809.727   14.078  1776.03   61.597   0.0000   0.0000  1776.03   61.597  ?   ?   809.727   14.078      ?      ? 
1 1 1   15    8    7 o  577.911   7.4055  903.132   23.116  917.834   33.286  889.436   32.127  582.444   10.576  573.378   10.369 9.066162 14.81100 
1 1 1   15    8    8 f  373.393   11.259  377.252   22.717   0.0000   0.0000  377.252   22.717  ?   ?   373.393   11.259      ?      ? 
1 1 1   15    8    9 o  927.421   13.915  2323.62   65.225  2305.20   79.141  2362.61  115.165  922.406   15.878  932.437   22.857 -10.03009 27.83037 
1 1 1   15    8   10 o  673.393   10.470  1225.13   35.540  1236.04   62.955  1220.02   43.057  675.309   17.252  671.477   11.866 3.831604 20.93907 
1 1 1   15    8   11 o  400.898   7.2677  443.558   14.835  407.432   25.138  462.861   18.375  388.039   11.989  413.756   8.2188 -25.71671 14.53531 
1 1 1   15    8   13 o  431.416   8.2650  503.198   19.268   0.0000   0.0000  503.198   19.268  ?   ?   431.416   8.2650      ?      ? 
1 1 1   15    8   14 o  225.695   5.9681  137.671   7.2786   0.0000   0.0000  137.671   7.2786  ?   ?   225.695   5.9681      ?      ? 
1 1 1   15    8   15 o  244.102   4.5747  161.020   6.0342   0.0000   0.0000  161.020   6.0342  ?   ?   244.102   4.5747      ?      ? 
1 1 1   15    8   16 o  326.484   7.3898  288.118   13.037   0.0000   0.0000  288.118   13.037  ?   ?   326.484   7.3898      ?      ? 
1 1 1   15    8   17 o  830.905   10.165  1866.85   45.638   0.0000   0.0000  1866.85   45.638  ?   ?   830.905   10.165      ?      ? 
1 1 1   15    8   18 o  497.063   6.5786  667.778   17.670   0.0000   0.0000  667.778   17.670  ?   ?   497.063   6.5786      ?      ? 
1 1 1   15    8   19 o  904.104   12.646  2211.51   61.782   0.0000   0.0000  2211.51   61.782  ?   ?   904.104   12.646      ?      ? 
1 1 1   15    8   20 o  297.940   5.2861  239.896   8.5105   0.0000   0.0000  239.896   8.5105  ?   ?   297.940   5.2861      ?      ? 
1 1 1   15    8   22 o  353.828   7.0294  302.319   12.415  438.739   23.806  251.351   14.551  402.755   10.938  304.902   8.8317 97.85342 14.05878 
1 1 1   15    8   23 o  304.397   6.5042  245.714   10.593  208.739   13.944  296.171   16.289  277.839   9.2876  330.955   9.1082 -53.11670 13.00837 
1 1 1   15    8   24 o  290.149   6.3026  226.437   9.8074  237.162   14.950  218.333   12.994  296.137   9.3422  284.162   8.4626 11.97495 12.60524 
1 1 1   15    8   25 o  740.047   12.867  1466.29   50.959  1355.86   66.697  1621.17   78.985  707.120   17.455  772.974   18.910 -65.85406 25.73450 
1 1 1   15    8   26 o  536.613   13.547  779.730   39.283   0.0000   0.0000  779.730   39.283  ?   ?   536.613   13.547      ?      ? 
1 1 1   15    8   27 o  842.782   10.336  1922.91   47.054  1888.46   65.430  1959.81   67.717  834.985   14.501  850.579   14.733 -15.59418 20.67258 
1 1 1   15    8   28 o  589.823   7.5766  940.881   24.140  923.826   33.596  959.083   34.708  584.307   10.641  595.339   10.789 -11.03296 15.15326 
1 1 1   15    8   29 o  580.691   7.4925  912.164   23.506  897.583   32.842  927.477   33.657  575.939   10.553  585.444   10.639 -9.505188 14.98497 
1 1 1   15    8   30 o  338.343   5.2871  308.867   9.6513  321.227   14.136  298.075   13.209  344.665   7.5902  332.020   7.3623 12.64478 10.57420 
1 1 1   15    8   31 o  157.451   5.5083   66.976   4.6588   67.735   6.9971   66.372   6.2441  158.243   8.1829  156.659   7.3761 1.583542 11.01664 
1 1 1   15    8   32 f  1277.67   15.384  4447.13  106.190  4501.10  152.104  4395.81  148.318  1285.16   21.903  1270.18   21.609 14.97534 30.76829 
1 1 1   15    8   33 o  449.634   8.7672  547.104   21.301   0.0000   0.0000  547.104   21.301  ?   ?   449.634   8.7672      ?      ? 
1 1 1   15    8   34 o  292.118   5.0929  230.557   8.0335  239.255   11.629  222.617   11.111  297.379   7.2370  286.857   7.1677 10.52283 10.18578 
1 1 1   15    8   35 o  367.426   5.5131  364.724   10.933  377.808   15.946  353.120   15.017  373.625   7.8984  361.227   7.6935 12.39764 11.02612 
1 1 1   15    8   36 o  361.144   5.4717  352.942   10.677  358.316   15.254  347.781   14.949  363.837   7.7586  358.452   7.7177 5.384918 10.94345 
1 1 1   15    8   37 o  225.292   4.9892  136.751   6.0557  145.413   8.9997  129.584   8.1861  231.774   7.1858  218.810   6.9234 12.96404 9.978479 
1 1 1   15    8   38 o  193.462   5.1808  101.300   5.4108  102.450   7.8453  100.257   7.4723  194.500   7.4645  192.423   7.1863 2.076538 10.36160 
1 1 1   15    8   39 o  233.293   6.8952  147.379   8.6923   0.0000   0.0000  147.379   8.6923  ?   ?   233.293   6.8952      ?      ? 
1 1 1   15    8   40 o  296.826   5.0945  238.401   8.1653  248.000   11.824  229.651   11.289  302.526   7.2331  291.126   7.1763 11.39981 10.18905 
1 1 1   15    8   41 o   92.644   7.8697   23.438   3.9284   21.774   5.6179   25.030   5.4953   89.384   11.631   95.905   10.604 -6.520447 15.73947 
1 1 1   15    8   42 o  373.276   5.6249  377.418   11.332  390.502   16.528  365.812   15.567  379.349   8.0631  367.203   7.8452 12.14578 11.24989 
1 1 1   15    8   43 o   46.169   11.538   4.8146   3.7576   1.8387   5.4088   7.5908   5.2241   39.702   16.125   52.636   16.506 -12.93384 23.07518 
1 1 1   15    8   44 o  439.265   6.1842  524.028   14.661  544.477   21.390  505.907   20.135  447.296   8.8497  431.234   8.6407 16.06165 12.36848 
1 1 1   15    8   45 o  355.056   5.5249  342.257   10.592  353.602   15.345  331.930   14.640  360.653   7.8737  349.459   7.7528 11.19412 11.04989 
1 1 1   15    8   46 o  280.185   5.1543  212.995   7.7966  222.697   11.322  204.245   10.752  286.236   7.3198  274.135   7.2585 12.10141 10.30856 
1 1 1   15    8   47 o   53.950   13.126   7.7950   4.9281   11.041   5.7553  -1.1261   9.5408   61.750   16.801   46.149   20.173 15.60108 26.25270 
1 1 1   15    8   48 o  321.791   8.1932  285.009   14.242  294.595   20.405  275.901   19.889  327.087   11.545  316.495   11.629 10.59161 16.38642 
1 1 1   15    8   49 o  161.767   9.1303   72.036   7.9325   61.892   10.749   84.167   11.755  149.220   13.331  174.314   12.480 -25.09404 18.26058 
1 1 1   15    8   50 o  179.096   5.5224   87.634   5.3439   87.200   7.5021   88.081   7.6141  178.656   7.7711  179.536   7.8483 -0.8800354 11.04472 
1 1 1   15    8   51 o  288.519   5.2669  227.450   8.2110  228.307   11.577  226.581   11.648  289.082   7.4110  287.955   7.4858 1.127045 10.53374 
1 1 1   15    8   52 o  206.430   5.3433  116.160   5.9470  127.386   8.6937  106.287   8.1530  215.803   7.4552  197.057   7.6566 18.74661 10.68661 
1 1 1   15    8   53 o  212.092   5.3448  123.061   6.1172  132.371   8.8128  114.405   8.4980  219.876   7.4173  204.308   7.6974 15.56845 10.68952 
1 1 1   15    8   54 o   62.125   12.142   11.602   4.2076   11.130   5.7777   12.134   6.1396   60.865   16.943   63.385   17.397 -2.520222 24.28463 
1 1 1   15    8   55 o   89.451   9.2378   22.739   4.4593   23.335   6.2072   22.103   6.4104   90.799   12.651   88.104   13.465 2.695641 18.47568 
1 1 1   15    8   56 o   51.213   12.529   7.1167   4.3257   4.5764   6.0620   9.7522   6.1745   45.322   17.484   57.104   17.951 -11.78260 25.05810 
1 1 1   15    8   57 o   39.864   11.871   1.4377   4.3965   3.0248   6.2000  -0.1674   6.2352   42.366   17.242   37.363   16.321 5.002167 23.74118 
1 1 1   15    8   58 o  308.334   5.6123  262.887   9.3449  273.508   13.502  253.121   12.947  314.292   7.9500  302.376   7.9239 11.91605 11.22458 
1 1 1   15    8   59 o  205.142   5.9889  117.249   6.6383  115.466   9.3325  119.076   9.4445  203.552   8.4846  206.731   8.4544 -3.179062 11.97773 
1 1 1   15    8   60 o   90.700   11.746   26.200   5.5107   11.842   7.6759   41.471   7.9162   61.100   20.089  120.300   12.178 -59.20022 23.49204 
1 1 1   15    8   61 o  212.188   8.0628  131.341   9.2308  124.549   12.641  139.099   13.511  206.428   11.332  217.948   11.472 -11.51991 16.12556 
1 1 1   15    8   62 o  120.168   11.880   45.330   7.2170   61.216   10.618   31.689   9.8391  142.952   13.746   97.384   19.379 45.56821 23.75900 
1 1 1   15    8   63 o  100.403   14.015   35.616   7.4166   44.572   10.600   27.027   10.381  116.887   16.783   83.919   22.452 32.96744 28.03096 
1 1 1   15    9    0 o  450.072   8.5292  548.304   20.743  549.099   29.465  547.523   29.205  450.393   12.107  449.752   12.017 0.6408386 17.05837 
1 1 1   15    9    1 o  530.758   9.6817  762.767   27.764  753.153   38.903  772.748   39.636  527.354   13.652  534.162   13.732 -6.808594 19.36334 
1 1 1   15    9    2 o  367.685   7.4059  365.761   14.714  366.216   20.924  365.315   20.694  367.909   10.525  367.461   10.422 0.4479370 14.81176 
1 1 1   15    9    3 o  825.630   14.281  1850.80   63.713  1840.09   89.675  1861.71   90.537  823.226   20.159  828.034   20.234 -4.807129 28.56243 
1 1 1   15    9    4 o  751.625   13.081  1532.52   53.126  1536.26   75.384  1528.83   74.882  752.530   18.538  750.721   18.459 1.809631 26.16107 
1 1 1   15    9    5 o  712.739   12.457  1377.30   47.976  1383.33   68.248  1371.40   67.456  714.274   17.682  711.204   17.552 3.070068 24.91489 
1 1 1   15    9    6 o  625.092   11.076  1057.74   37.389  1080.63   54.039  1036.71   51.786  631.557   15.835  618.627   15.492 12.93054 22.15226 
1 1 1   15    9    7 o  482.405   8.9199  626.333   23.163  592.117   31.143  668.694   34.652  467.761   12.321  497.050   12.901 -29.28897 17.83980 
1 1 1   15    9    8 o  790.786   19.366  1696.17   82.753  1696.17   82.753   0.0000   0.0000  790.786   19.366  ?   ?       ?      ? 
1 1 1   15    9    9 o  1091.95   18.652  3214.01  109.196  3481.98  167.457  3015.77  144.031  1130.87   27.403  1053.04   25.312 77.83521 37.30455 
1 1 1   15    9   10 o  254.329   8.4035  174.887   11.549   0.0000   0.0000  174.887   11.549  ?   ?   254.329   8.4035      ?      ? 
1 1 1   15    9   11 o  545.920   9.8042  806.447   28.915  818.243   41.455  795.270   40.352  549.800   13.953  542.040   13.777 7.760193 19.60849 
1 1 1   15    9   12 o  527.451   9.5083  752.727   27.096  762.162   38.743  743.694   37.909  530.681   13.511  524.220   13.383 6.460815 19.01657 
1 1 1   15    9   14 o  995.275   16.978  2682.59   91.308   0.0000   0.0000  2682.59   91.308  ?   ?   995.275   16.978      ?      ? 
1 1 1   15    9   15 o  958.099   16.341  2485.29   84.602   0.0000   0.0000  2485.29   84.602  ?   ?   958.099   16.341      ?      ? 
1 1 1   15    9   17 o  757.691   13.137  1553.34   53.786   0.0000   0.0000  1553.34   53.786  ?   ?   757.691   13.137      ?      ? 
1 1 1   15    9   20 o  161.640   7.2615   70.625   6.3426   0.0000   0.0000   70.625   6.3426  ?   ?   161.640   7.2615      ?      ? 
1 1 1   15    9   21 o  641.023   10.010  1096.68   31.725  1150.68   58.756  1074.46   37.692  651.778   16.683  630.267   11.067 21.51111 20.01980 
1 1 1   15    9   22 o  632.624   9.7571  1089.80   31.750  1061.94   53.547  1104.90   39.429  626.166   15.826  639.081   11.418 -12.91467 19.51427 
1 1 1   15    9   23 o  536.521   13.543  779.279   39.263   0.0000   0.0000  779.279   39.263  ?   ?   536.521   13.543      ?      ? 
1 1 1   15    9   24 o  578.203   9.0264  887.997   26.230  860.115   31.495  951.126   47.390  563.860   10.337  592.544   14.801 -28.68408 18.05282 
1 1 1   15    9   25 o  786.040   9.7189  1670.17   41.226  1618.64   56.559  1728.58   60.217  773.154   13.538  798.927   13.948 -25.77234 19.43785 
1 1 1   15    9   26 o  1083.99   13.109  3183.55   76.711  3097.69  105.645  3279.31  111.567  1068.61   18.295  1099.38   18.780 -30.76294 26.21869 
1 1 1   15    9   27 o  357.697   7.6761  345.961   14.837   0.0000   0.0000  345.961   14.837  ?   ?   357.697   7.6761      ?      ? 
1 1 1   15    9   28 o  584.947   10.685  925.918   33.772   0.0000   0.0000  925.918   33.772  ?   ?   584.947   10.685      ?      ? 
1 1 1   15    9   29 o  965.558   11.749  2528.08   61.287  2494.38   85.586  2563.55   87.803  958.979   16.516  972.138   16.714 -13.15936 23.49797 
1 1 1   15    9   30 o  448.788   6.2409  544.914   15.134  544.011   21.475  545.805   21.332  448.416   8.8626  449.159   8.7892 -0.7434692 12.48178 
1 1 1   15    9   31 o  377.045   5.6309  384.632   11.469  379.173   16.331  389.945   16.111  374.399   8.0724  379.692   7.8526 -5.293030 11.26171 
1 1 1   15    9   32 o  285.985   5.1257  221.227   7.9165  220.671   11.384  221.747   11.016  285.632   7.3757  286.338   7.1197 -0.7062683 10.25139 
1 1 1   15    9   33 o  405.951   8.2197  446.006   18.031   0.0000   0.0000  446.006   18.031  ?   ?   405.951   8.2197      ?      ? 
1 1 1   15    9   34 o  259.990   7.0163  182.873   9.8572   0.0000   0.0000  182.873   9.8572  ?   ?   259.990   7.0163      ?      ? 
1 1 1   15    9   35 o  177.439   7.3205   85.201   7.0190   0.0000   0.0000   85.201   7.0190  ?   ?   177.439   7.3205      ?      ? 
1 1 1   15    9   36 o  248.259   5.0247  166.667   6.7298  169.306   9.8325  164.341   9.2309  250.096   7.2756  246.422   6.9322 3.673340 10.04938 
1 1 1   15    9   37 o  212.920   5.0490  122.959   5.7940  119.278   8.4287  126.256   7.9777  209.875   7.4321  215.965   6.8361 -6.089600 10.09793 
1 1 1   15    9   38 o  291.240   5.1288  229.278   8.0581  237.056   11.811  222.505   11.021  295.839   7.3884  286.642   7.1156 9.197021 10.25766 
1 1 1   15    9   39 o  365.093   5.5569  360.744   10.951  373.262   15.940  349.551   15.072  371.069   7.9494  359.117   7.7669 11.95193 11.11385 
1 1 1   15    9   40 o  389.781   5.7543  410.770   12.093  433.028   17.849  391.884   16.441  399.482   8.2684  380.081   8.0049 19.40076 11.50851 
1 1 1   15    9   41 o  192.373   5.2195  100.049   5.4031  103.410   8.0711   97.319   7.2733  195.268   7.6492  189.479   7.1037 5.788483 10.43897 
1 1 1   15    9   42 o  352.638   5.5066  337.492   10.493  339.067   14.926  335.952   14.753  353.447   7.8148  351.830   7.7602 1.616364 11.01326 
1 1 1   15    9   43 o  108.149   7.2989   31.727   4.2539   34.698   6.2870   29.219   5.7772  112.794   10.315  103.504   10.329 9.289558 14.59783 
1 1 1   15    9   44 o  270.834   7.2473  199.191   10.606   0.0000   0.0000  199.191   10.606  ?   ?   270.834   7.2473      ?      ? 
1 1 1   15    9   45 o  280.732   5.2185  214.084   7.9131  216.731   11.383  211.609   11.008  282.393   7.4598  279.071   7.2995 3.322052 10.43704 
1 1 1   15    9   46 o  102.716   7.8154   28.895   4.2970   34.518   6.2490   23.852   5.9183  112.282   10.299   93.150   11.758 19.13155 15.63081 
1 1 1   15    9   47 o  270.050   7.9688  199.770   11.601  220.068   16.946  181.869   15.914  282.989   11.082  257.112   11.454 25.87714 15.93770 
1 1 1   15    9   48 o   52.820   15.311   3.6331   6.9754   2.2680   9.5540   5.1914   10.208   50.165   21.001   55.475   22.284 -5.310204 30.62125 
1 1 1   15    9   49 o  277.337   8.0512  212.657   12.063  217.049   17.017  208.221   17.103  280.299   11.235  274.375   11.535 5.923431 16.10239 
1 1 1   15    9   50 o  150.786   6.1150   62.212   4.9779   64.623   7.2314   60.041   6.8628  153.542   8.7158  148.031   8.5795 5.511002 12.23003 
1 1 1   15    9   51 o  149.157   6.1033   60.989   4.9101   66.399   7.0885   55.998   6.8080  155.560   8.4327  142.753   8.8256 12.80701 12.20666 
1 1 1   15    9   52 o  182.637   5.6278   91.421   5.5537   92.838   7.9088   90.042   7.8006  184.035   7.9528  181.239   7.9650 2.796677 11.25564 
1 1 1   15    9   53 o  144.527   6.4126   57.550   4.9709   67.413   7.2084   48.606   6.8642  156.494   8.5241  132.561   9.5826 23.93346 12.82528 
1 1 1   15    9   54 o  248.139   5.3938  169.019   7.2299  165.292   10.067  172.989   10.390  245.333   7.5938  250.944   7.6620 -5.610596 10.78755 
1 1 1   15    9   55 f  313.911   5.5245  270.681   9.3642  282.548   13.553  259.839   12.954  320.475   7.8260  307.346   7.7997 13.12976 11.04906 
1 1 1   15    9   56 o  216.685   5.5856  129.457   6.5397  130.720   9.3115  128.228   9.1869  217.720   7.9147  215.651   7.8837 2.068649 11.17116 
1 1 1   15    9   57 o   70.065   12.025   15.069   4.6210   20.313   6.6896   10.284   6.3907   82.148   15.641   57.982   18.268 24.16603 24.04933 
1 1 1   15    9   58 o  131.403   7.7067   49.290   5.4407   54.779   7.6665   43.721   7.7225  139.215   10.191  123.591   11.563 15.62363 15.41330 
1 1 1   15    9   59 o  124.067   9.8385   45.175   6.3656   43.784   10.317   46.030   8.0889  121.218   15.750  126.916   11.795 -5.697937 19.67702 
1 1 1   15    9   60 o  132.054   10.249   51.587   7.2399   61.171   10.494   42.883   10.001  144.566   13.434  119.542   15.483 25.02415 20.49804 
1 1 1   15    9   61 o   85.251   15.103   26.310   6.9461   25.495   9.8456   27.117   9.8010   83.558   21.635   86.944   21.080 -3.385941 30.20656 
1 1 1   15    9   62 o   53.491   13.898   9.1430   5.3583   11.939   7.6960   6.5126   7.4648   58.680   20.126   48.302   19.172 10.37834 27.79595 
1 1 1   15   10    1 o  499.869   6.7013  675.728   18.101  668.552   25.517  682.996   25.680  497.197   9.4975  502.541   9.4567 -5.344391 13.40266 
1 1 1   15   10    2 o  181.617   7.1290   89.168   6.9963   89.168   6.9963   0.0000   0.0000  181.617   7.1290  ?   ?       ?      ? 
1 1 1   15   10    3 o  462.865   6.3128  579.349   15.789  575.799   22.353  582.884   22.306  461.448   8.9643  464.282   8.8909 -2.833649 12.62563 
1 1 1   15   10    4 o  318.662   7.3333  274.512   12.628  274.512   12.628   0.0000   0.0000  318.662   7.3333  ?   ?       ?      ? 
1 1 1   15   10    6 o  627.609   8.0208  1065.43   27.199  1050.85   38.144  1080.51   38.794  623.244   11.326  631.973   11.360 -8.729553 16.04152 
1 1 1   15   10    7 o  973.783   23.834  2576.58  125.413   0.0000   0.0000  2576.58  125.413  ?   ?   973.783   23.834      ?      ? 
1 1 1   15   10    8 o  919.671   15.884  2290.78   78.936   0.0000   0.0000  2290.78   78.936  ?   ?   919.671   15.884      ?      ? 
1 1 1   15   10    9 o  617.289   9.8723  1042.68   31.194  995.495   52.857  1067.89   38.641  606.269   16.134  628.309   11.381 -22.04028 19.74453 
1 1 1   15   10   10 o  774.276   13.562  1622.39   56.744   0.0000   0.0000  1622.39   56.744  ?   ?   774.276   13.562      ?      ? 
1 1 1   15   10   11 o  405.957   8.2421  445.520   18.080   0.0000   0.0000  445.520   18.080  ?   ?   405.957   8.2421      ?      ? 
1 1 1   15   10   12 o  688.831   9.8276  1296.65   32.473  1256.31   61.998  1311.90   38.121  681.126   16.845  696.536   10.128 -15.41052 19.65520 
1 1 1   15   10   13 o  999.100   12.134  2700.05   65.509   0.0000   0.0000  2700.05   65.509  ?   ?   999.100   12.134      ?      ? 
1 1 1   15   10   14 o  364.930   6.3544  359.927   12.531   0.0000   0.0000  359.927   12.531  ?   ?   364.930   6.3544      ?      ? 
1 1 1   15   10   15 o  478.124   6.4857  617.861   16.757   0.0000   0.0000  617.861   16.757  ?   ?   478.124   6.4857      ?      ? 
1 1 1   15   10   16 o  1153.28   13.864  3599.56   86.397   0.0000   0.0000  3599.56   86.397  ?   ?   1153.28   13.864      ?      ? 
1 1 1   15   10   17 o  151.012   7.0816   61.641   5.7787   0.0000   0.0000   61.641   5.7787  ?   ?   151.012   7.0816      ?      ? 
1 1 1   15   10   18 o  486.559   6.5707  639.873   17.276   0.0000   0.0000  639.873   17.276  ?   ?   486.559   6.5707      ?      ? 
1 1 1   15   10   19 o  585.331   8.8126  926.321   27.874   0.0000   0.0000  926.321   27.874  ?   ?   585.331   8.8126      ?      ? 
1 1 1   15   10   20 o  891.757   10.929  2150.98   52.666   0.0000   0.0000  2150.98   52.666  ?   ?   891.757   10.929      ?      ? 
1 1 1   15   10   21 o  137.160   6.7744   47.768   3.7893   55.721   9.4769   46.255   4.1342  143.499   12.222  130.820   5.8483 12.67950 13.54882 
1 1 1   15   10   22 o  592.825   10.745  950.770   34.420   0.0000   0.0000  950.770   34.420  ?   ?   592.825   10.745      ?      ? 
1 1 1   15   10   23 o  221.547   10.531  132.793   12.607  132.793   12.607   0.0000   0.0000  221.547   10.531  ?   ?       ?      ? 
1 1 1   15   10   24 o  480.173   12.429  624.099   32.249   0.0000   0.0000  624.099   32.249  ?   ?   480.173   12.429      ?      ? 
1 1 1   15   10   25 f  472.769   7.7666  590.598   18.612  565.600   22.467  645.270   33.227  457.307   9.0920  488.230   12.594 -30.92276 15.53322 
1 1 1   15   10   26 o  365.824   7.7379  361.868   15.296   0.0000   0.0000  361.868   15.296  ?   ?   365.824   7.7379      ?      ? 
1 1 1   15   10   27 o  779.619   13.637  1646.37   57.448   0.0000   0.0000  1646.37   57.448  ?   ?   779.619   13.637      ?      ? 
1 1 1   15   10   28 o  347.521   7.6176  326.575   14.305   0.0000   0.0000  326.575   14.305  ?   ?   347.521   7.6176      ?      ? 
1 1 1   15   10   29 o  443.767   8.6971  532.767   20.855   0.0000   0.0000  532.767   20.855  ?   ?   443.767   8.6971      ?      ? 
1 1 1   15   10   30 o  688.540   8.6832  1281.60   32.260  1234.75   44.198  1335.01   47.196  675.128   12.115  701.952   12.443 -26.82465 17.36641 
1 1 1   15   10   31 o  581.295   7.5444  915.064   23.697  912.236   33.641  917.850   33.386  580.396   10.726  582.194   10.612 -1.797363 15.08889 
1 1 1   15   10   32 o  589.876   7.6411  942.756   24.352  947.498   34.795  938.204   34.093  591.316   10.890  588.435   10.722 2.880615 15.28224 
1 1 1   15   10   33 o  528.618   7.0545  757.008   20.150  746.453   28.440  767.646   28.553  524.911   10.027  532.325   9.9263 -7.413696 14.10900 
1 1 1   15   10   34 o   39.396   11.395   1.3738   3.9063  -1.9208   6.4457   3.2862   4.9109   37.218   16.415   41.574   15.810 -4.355766 22.79064 
1 1 1   15   10   35 o  170.624   5.5548   78.785   5.0732   79.102   7.7299   78.544   6.7240  170.902   8.3703  170.346   7.3047 0.5557098 11.10951 
1 1 1   15   10   36 o  490.108   9.3522  651.272   24.768   0.0000   0.0000  651.272   24.768  ?   ?   490.108   9.3522      ?      ? 
1 1 1   15   10   37 o  247.099   5.1967  165.497   6.9203  163.510   10.131  167.235   9.4750  245.684   7.6314  248.514   7.0557 -2.829865 10.39333 
1 1 1   15   10   38 o  220.016   5.2311  130.360   6.1892  138.940   9.3199  123.591   8.2782  226.434   7.6169  213.597   7.1722 12.83716 10.46226 
1 1 1   15   10   39 o  237.356   5.1566  152.896   6.5989  149.696   9.6031  155.759   9.0831  234.971   7.5633  239.742   7.0114 -4.770370 10.31322 
1 1 1   15   10   40 o  257.721   5.1321  180.172   7.1408  176.999   10.262  183.151   9.9430  255.499   7.4327  259.943   7.0787 -4.444687 10.26414 
1 1 1   15   10   41 o  343.340   5.4776  319.746   10.157  323.630   14.634  316.134   14.110  345.334   7.8420  341.347   7.6497 3.986786 10.95515 
1 1 1   15   10   42 o  159.053   5.7502   68.005   4.9106   75.280   7.4791   62.492   6.5106  166.430   8.3162  151.676   7.9435 14.75372 11.50042 
1 1 1   15   10   43 o  311.152   5.2918  262.596   8.8873  270.448   12.947  255.600   12.221  315.520   7.5937  306.784   7.3723 8.735657 10.58369 
1 1 1   15   10   44 o  199.435   5.3102  108.058   5.7152  108.626   8.3066  107.547   7.8757  199.905   7.6897  198.965   7.3253 0.9400635 10.62036 
1 1 1   15   10   45 o  184.061   5.4519   92.213   5.4096   91.715   7.9165   92.649   7.4093  183.548   7.9817  184.574   7.4288 -1.025314 10.90385 
1 1 1   15   10   46 o  115.425   10.631   35.535   5.8684   33.830   6.7913   40.563   11.659  110.933   11.329  119.916   17.993 -8.983223 21.26299 
1 1 1   15   10   47 o  210.380   8.6023  122.426   9.7583  128.806   13.632  115.721   13.976  216.193   11.669  204.568   12.643 11.62415 17.20454 
1 1 1   15   10   48 o  239.591   8.1984  158.598   10.614  157.365   14.910  159.865   15.112  238.662   11.561  240.520   11.627 -1.857773 16.39679 
1 1 1   15   10   49 o  114.566   9.3573   30.579   5.1740   51.869   10.709   24.095   5.9095  135.886   14.584   93.246   11.728 42.63943 18.71470 
1 1 1   15   10   50 o  128.391   6.8756   45.567   4.7448   43.773   6.9961   47.094   6.4566  125.896   10.284  130.886   9.1290 -4.989738 13.75121 
1 1 1   15   10   51 o  112.936   7.5941   35.438   4.6026   34.539   6.8710   36.170   6.1988  111.450   11.409  114.421   10.026 -2.970909 15.18827 
1 1 1   15   10   52 o  242.142   5.3519  159.657   6.9788  173.337   10.406  148.475   9.4082  251.469   7.6579  232.814   7.4784 18.65524 10.70374 
1 1 1   15   10   53 o  278.791   5.3930  212.879   8.1137  222.197   11.854  204.666   11.129  284.469   7.7114  273.112   7.5413 11.35724 10.78597 
1 1 1   15   10   54 o  429.014   6.3546  509.251   14.731  506.695   20.751  511.848   20.916  427.944   8.9737  430.085   8.9997 -2.140900 12.70911 
1 1 1   15   10   55 o   99.040   8.8480   27.944   4.6989   25.693   6.8843   29.908   6.4294   94.942   13.419  103.138   11.536 -8.195435 17.69604 
1 1 1   15   10   56 o   39.377   11.836   1.2030   4.4021   0.1026   6.6208   2.0750   5.8935   38.767   16.879   39.988   16.597 -1.220249 23.67146 
1 1 1   15   10   57 o  137.192   8.2741   52.635   5.9036   57.342   9.9386   50.069   7.3386  140.980   13.046  133.403   10.180 7.576477 16.54811 
1 1 1   15   10   58 o   83.888   13.601   23.273   6.4236   13.423   9.2956   32.275   8.8868   64.000   22.109  103.777   15.847 -39.77732 27.20226 
1 1 1   15   10   59 o   49.730   13.829   2.4989   6.5275 -10.3581   9.8017   12.745   8.7502   36.430   17.448   63.030   21.462 -26.60017 27.65895 
1 1 1   15   10   60 o  107.295   10.862   34.936   6.0328   27.091   7.8948   45.946   9.3524   91.705   16.540  122.885   14.084 -31.18031 21.72433 
1 1 1   15   10   61 o  107.327   9.8094   34.879   5.5822   28.065   7.9340   41.558   7.8554   95.636   15.353  119.017   12.214 -23.38039 19.61873 
1 1 1   15   10   62 o  137.124   7.9434   55.459   5.8793   56.424   8.5433   54.592   8.1032  138.025   11.455  136.223   11.008 1.802231 15.88677 
1 1 1   15   11    0 o  718.644   9.0169  1397.42   35.012  1381.77   49.111  1413.58   49.928  714.557   12.719  722.730   12.784 -8.173096 18.03383 
1 1 1   15   11    3 o  588.670   10.731  937.317   34.136   0.0000   0.0000  937.317   34.136  ?   ?   588.670   10.731      ?      ? 
1 1 1   15   11    4 o  885.303   10.843  2122.16   51.869  2135.11   73.895  2109.57   72.826  887.959   15.400  882.648   15.269 5.310730 21.68673 
1 1 1   15   11    5 f  546.780   7.1942  808.540   21.256  807.619   30.124  809.454   29.996  546.468   10.201  547.092   10.147 -0.6234741 14.38830 
1 1 1   15   11    6 o  618.722   16.114  1036.71   53.875   0.0000   0.0000  1036.71   53.875  ?   ?   618.722   16.114      ?      ? 
1 1 1   15   11    8 o  436.730   7.9070  508.631   16.897  532.883   31.848  499.130   19.933  443.780   13.281  429.679   8.5851 14.10092 15.81399 
1 1 1   15   11    9 o  650.352   8.3087  1143.05   29.183  1115.41   40.468  1173.01   42.125  642.172   11.662  658.533   11.838 -16.36053 16.61735 
1 1 1   15   11   10 o  331.597   5.4191  297.166   9.7067  286.351   13.631  308.290   13.825  325.476   7.7506  337.718   7.5759 -12.24188 10.83820 
1 1 1   15   11   11 o  606.853   7.8423  995.948   25.717  991.829   36.312  1000.09   36.426  605.594   11.096  608.112   11.085 -2.518250 15.68459 
1 1 1   15   11   12 f  783.270   10.973  1695.56   41.904  1579.28   77.107  1744.30   49.919  763.474   18.690  803.067   11.503 -39.59308 21.94641 
1 1 1   15   11   13 o  729.387   9.1200  1438.39   35.945   0.0000   0.0000  1438.39   35.945  ?   ?   729.387   9.1200      ?      ? 
1 1 1   15   11   14 o  813.863   10.077  1791.19   44.317   0.0000   0.0000  1791.19   44.317  ?   ?   813.863   10.077      ?      ? 
1 1 1   15   11   15 o  1175.63   14.175  3740.79   90.053   0.0000   0.0000  3740.79   90.053  ?   ?   1175.63   14.175      ?      ? 
1 1 1   15   11   16 o  445.225   9.0319  535.955   21.729   0.0000   0.0000  535.955   21.729  ?   ?   445.225   9.0319      ?      ? 
1 1 1   15   11   17 o  1306.83   15.671  4624.28  110.662   0.0000   0.0000  4624.28  110.662  ?   ?   1306.83   15.671      ?      ? 
1 1 1   15   11   18 o  307.776   7.1445  256.054   11.882   0.0000   0.0000  256.054   11.882  ?   ?   307.776   7.1445      ?      ? 
1 1 1   15   11   19 o  1054.28   12.770  3007.93   72.749   0.0000   0.0000  3007.93   72.749  ?   ?   1054.28   12.770      ?      ? 
1 1 1   15   11   20 o  331.880   5.5001  297.688   9.8637   0.0000   0.0000  297.688   9.8637  ?   ?   331.880   5.5001      ?      ? 
1 1 1   15   11   21 o  514.684   8.1240  716.273   22.594   0.0000   0.0000  716.273   22.594  ?   ?   514.684   8.1240      ?      ? 
1 1 1   15   11   22 o  713.464   10.992  1390.18   40.235  1344.37   68.082  1414.77   49.878  704.020   17.896  722.908   12.768 -18.88770 21.98409 
1 1 1   15   11   23 o  598.624   15.450  970.946   49.978  970.946   49.978   0.0000   0.0000  598.624   15.450  ?   ?       ?      ? 
1 1 1   15   11   24 o  517.643   7.0126  724.902   19.614  720.015   27.836  729.721   27.642  515.905   9.9851  519.380   9.8489 -3.474487 14.02511 
1 1 1   15   11   25 o  293.275   9.2688  232.658   14.689   0.0000   0.0000  232.658   14.689  ?   ?   293.275   9.2688      ?      ? 
1 1 1   15   11   26 o  698.931   12.436  1322.65   46.967   0.0000   0.0000  1322.65   46.967  ?   ?   698.931   12.436      ?      ? 
1 1 1   15   11   27 f  134.872   8.5556   49.202   6.2353   0.0000   0.0000   49.202   6.2353  ?   ?   134.872   8.5556      ?      ? 
1 1 1   15   11   28 o  651.432   8.3203  1149.33   29.288  1139.70   41.281  1159.10   41.559  648.681   11.777  654.183   11.757 -5.502014 16.64063 
1 1 1   15   11   29 o  461.654   8.9820  576.667   22.407   0.0000   0.0000  576.667   22.407  ?   ?   461.654   8.9820      ?      ? 
1 1 1   15   11   30 o  675.036   8.5680  1231.49   31.197  1181.02   42.596  1289.89   45.820  660.186   11.940  689.886   12.291 -29.69922 17.13592 
1 1 1   15   11   31 o  374.586   7.9193  379.707   16.030   0.0000   0.0000  379.707   16.030  ?   ?   374.586   7.9193      ?      ? 
1 1 1   15   11   32 o  305.598   5.3703  253.128   8.8522  243.803   12.755  261.792   12.295  300.143   7.8646  311.054   7.3150 -10.91098 10.74061 
1 1 1   15   11   33 o  407.607   5.9783  449.935   13.163  445.055   18.791  454.637   18.445  405.423   8.5775  409.790   8.3298 -4.366699 11.95656 
1 1 1   15   11   34 o  459.366   8.9215  571.680   22.145   0.0000   0.0000  571.680   22.145  ?   ?   459.366   8.9215      ?      ? 
1 1 1   15   11   35 o  186.968   7.1815   94.642   7.2555   0.0000   0.0000   94.642   7.2555  ?   ?   186.968   7.1815      ?      ? 
1 1 1   15   11   36 o  333.108   7.5360  300.556   13.565   0.0000   0.0000  300.556   13.565  ?   ?   333.108   7.5360      ?      ? 
1 1 1   15   11   37 o   49.095   11.839   4.0767   3.9931   11.095   6.6030   0.0302   5.0137   62.921   18.313   35.268   15.010 27.65358 23.67848 
1 1 1   15   11   38 o  187.371   5.4702   94.923   5.4846   97.141   8.4044   93.278   7.2384  189.229   8.2193  185.514   7.2206 3.714569 10.94046 
1 1 1   15   11   39 o  110.798   7.4878   32.379   4.3851   38.357   7.1665   28.801   5.5442  118.676   11.175  102.919   9.9690 15.75687 14.97560 
1 1 1   15   11   40 o  163.897   5.8579   72.845   5.1155   73.417   7.9379   72.438   6.6900  164.383   8.9364  163.412   7.5763 0.9713898 11.71573 
1 1 1   15   11   41 o  439.298   6.2412  524.767   14.814  525.720   21.128  523.846   20.776  439.668   8.8928  438.927   8.7594 0.7414856 12.48237 
1 1 1   15   11   42 o  162.090   5.8708   70.992   5.1025   74.960   7.7939   68.016   6.7502  165.978   8.6900  158.201   7.8962 7.776917 11.74160 
1 1 1   15   11   43 o  100.046   8.1046   26.854   4.3310   31.150   6.7829   23.896   5.6275  106.631   11.772   93.460   11.143 13.17060 16.20930 
1 1 1   15   11   44 o  224.378   5.2763  136.940   6.3796  136.200   9.3636  137.581   8.7154  223.757   7.7442  224.999   7.1684 -1.241211 10.55265 
1 1 1   15   11   45 o  325.025   5.4923  287.722   9.6452  282.109   13.606  293.390   13.674  321.820   7.8243  328.230   7.7098 -6.409973 10.98455 
1 1 1   15   11   46 o  215.431   8.6304  128.408   10.010  132.838   13.743  123.401   14.611  219.625   11.580  211.237   12.800 8.388107 17.26075 
1 1 1   15   11   47 o  177.251   9.4678   84.550   8.9038   66.622   11.550  110.811   13.979  154.666   13.820  199.836   12.945 -45.17039 18.93561 
1 1 1   15   11   48 o  137.554   11.315   53.700   8.3659   55.518   11.397   51.577   12.319  140.457   15.016  134.652   16.930 5.804352 22.63030 
1 1 1   15   11   49 o  154.651   8.3589   65.523   6.9853   0.0000   0.0000   65.523   6.9853  ?   ?   154.651   8.3589      ?      ? 
1 1 1   15   11   50 o  134.919   6.6821   49.936   4.8551   52.793   7.2341   47.594   6.5493  138.351   9.6764  131.487   9.2178 6.864029 13.36414 
1 1 1   15   11   51 o  111.823   8.0008   35.201   4.7755   30.982   7.0157   38.843   6.5187  105.196   12.342  118.449   10.184 -13.25333 16.00153 
1 1 1   15   11   52 o   81.361   10.842   20.270   4.5256   13.802   6.7802   25.467   6.0776   67.379   18.195   95.344   11.796 -27.96424 21.68466 
1 1 1   15   11   53 o  111.248   10.680   34.554   6.4201   0.0000   0.0000   34.554   6.4201  ?   ?   111.248   10.680      ?      ? 
1 1 1   15   11   54 o   82.559   10.620   19.754   4.5861   25.229   6.8113   15.214   6.2028   94.156   13.387   70.962   16.490 23.19408 21.24010 
1 1 1   15   11   55 o   76.988   13.319   16.564   5.2333   25.676   9.4762   12.566   6.2775   90.185   19.972   63.791   17.626 26.39419 26.63726 
1 1 1   15   11   56 o   43.875   12.605   0.9629   5.5062 -11.1013   8.9902   8.2050   6.9654   34.214   16.470   53.536   19.087 -19.32198 25.21072 
1 1 1   15   11   57 o  131.145   10.203   52.715   6.8835   40.113   10.467   62.320   9.1376  114.712   16.886  147.579   11.458 -32.86724 20.40635 
1 1 1   15   11   58 o  113.029   10.098   36.675   6.0238   27.258   8.0027   48.986   9.1501   95.853   15.450  130.205   13.005 -34.35148 20.19522 
1 1 1   15   11   59 o  226.558   6.1278  143.773   7.4988  144.800   10.776  142.810   10.441  227.238   8.7761  225.877   8.5545 1.360977 12.25560 
1 1 1   15   11   60 o   45.916   12.994   4.4561   5.1067   9.4836   7.5181   0.1495   6.9583   53.790   19.740   38.042   16.902 15.74835 25.98772 
1 1 1   15   11   61 o   58.086   13.179   10.242   5.2776   19.205   7.8580   2.8776   7.1232   74.258   19.378   41.914   17.866 32.34350 26.35733 
1 1 1   15   12    0 o  184.970   5.3426   91.950   5.3193   98.423   7.9621   86.732   7.1487  190.814   7.7220  179.126   7.3855 11.68756 10.68525 
1 1 1   15   12    4 o  540.341   10.125  789.501   29.562   0.0000   0.0000  789.501   29.562  ?   ?   540.341   10.125      ?      ? 
1 1 1   15   12    5 o  938.920   23.098  2391.89  117.188   0.0000   0.0000  2391.89  117.188  ?   ?   938.920   23.098      ?      ? 
1 1 1   15   12    6 o  174.400   7.8600   80.784   6.5328   79.190   7.5810   85.383   12.876  171.156   8.1968  177.645   13.414 -6.488937 15.72003 
1 1 1   15   12    7 o  550.064   9.2162  805.224   24.964  850.901   46.637  786.880   29.555  560.676   15.393  539.451   10.139 21.22473 18.43235 
1 1 1   15   12    9 o  373.548   5.7550  377.142   11.615  373.431   16.259  381.009   16.598  371.673   8.0955  375.423   8.1820 -3.750061 11.51005 
1 1 1   15   12   10 o  856.302   14.942  1984.83   69.139   0.0000   0.0000  1984.83   69.139  ?   ?   856.302   14.942      ?      ? 
1 1 1   15   12   11 o  320.085   7.4311  276.946   12.853   0.0000   0.0000  276.946   12.853  ?   ?   320.085   7.4311      ?      ? 
1 1 1   15   12   12 o   95.887   10.578   24.866   5.4810   0.0000   0.0000   24.866   5.4810  ?   ?    95.887   10.578      ?      ? 
1 1 1   15   12   13 o  636.178   8.1622  1094.13   28.059   0.0000   0.0000  1094.13   28.059  ?   ?   636.178   8.1622      ?      ? 
1 1 1   15   12   14 o  583.942   7.6420  921.767   24.114   0.0000   0.0000  921.767   24.114  ?   ?   583.942   7.6420      ?      ? 
1 1 1   15   12   15 o  1080.73   15.121  3162.14   88.305   0.0000   0.0000  3162.14   88.305  ?   ?   1080.73   15.121      ?      ? 
1 1 1   15   12   16 o  906.174   11.116  2221.14   54.433   0.0000   0.0000  2221.14   54.433  ?   ?   906.174   11.116      ?      ? 
1 1 1   15   12   17 o  1002.72   12.202  2720.55   66.115   0.0000   0.0000  2720.55   66.115  ?   ?   1002.72   12.202      ?      ? 
1 1 1   15   12   18 o  593.148   7.7675  951.182   24.896   0.0000   0.0000  951.182   24.896  ?   ?   593.148   7.7675      ?      ? 
1 1 1   15   12   19 o  1260.90   15.171  4307.07  103.365   0.0000   0.0000  4307.07  103.365  ?   ?   1260.90   15.171      ?      ? 
1 1 1   15   12   20 f  761.516   9.5538  1568.55   39.314   0.0000   0.0000  1568.55   39.314  ?   ?   761.516   9.5538      ?      ? 
1 1 1   15   12   21 o  762.135   9.5683  1571.07   39.405   0.0000   0.0000  1571.07   39.405  ?   ?   762.135   9.5683      ?      ? 
1 1 1   15   12   22 o  238.046   6.7195  145.542   7.2602  167.680   15.692  139.513   8.1895  248.917   11.666  227.175   6.6712 21.74138 13.43904 
1 1 1   15   12   23 o  507.918   14.135  698.874   38.796  698.874   38.796   0.0000   0.0000  507.918   14.135  ?   ?       ?      ? 
1 1 1   15   12   24 o  148.853   9.9011   70.160   6.5234   41.194   11.986   82.351   7.7759  123.202   18.004  174.503   8.2463 -51.30048 19.80228 
1 1 1   15   12   25 o  511.832   9.8997  708.770   27.380   0.0000   0.0000  708.770   27.380  ?   ?   511.832   9.8997      ?      ? 
1 1 1   15   12   26 o  373.215   10.636  377.027   21.450   0.0000   0.0000  377.027   21.450  ?   ?   373.215   10.636      ?      ? 
1 1 1   15   12   27 o  678.748   12.151  1248.06   44.567   0.0000   0.0000  1248.06   44.567  ?   ?   678.748   12.151      ?      ? 
1 1 1   15   12   28 o  351.746   7.8267  334.662   14.876   0.0000   0.0000  334.662   14.876  ?   ?   351.746   7.8267      ?      ? 
1 1 1   15   12   29 o  524.729   7.0684  744.320   20.025  715.660   27.623  776.060   29.070  514.108   9.9434  535.351   10.049 -21.24304 14.13687 
1 1 1   15   12   30 o  265.372   7.0885  190.516   10.165   0.0000   0.0000  190.516   10.165  ?   ?   265.372   7.0885      ?      ? 
1 1 1   15   12   31 o  197.478   7.1836  105.513   7.6657   0.0000   0.0000  105.513   7.6657  ?   ?   197.478   7.1836      ?      ? 
1 1 1   15   12   32 o  244.759   7.0302  162.097   9.2981   0.0000   0.0000  162.097   9.2981  ?   ?   244.759   7.0302      ?      ? 
1 1 1   15   12   33 o  567.563   7.4698  873.640   22.908  859.886   32.242  887.660   32.553  563.045   10.597  572.081   10.531 -9.035034 14.93970 
1 1 1   15   12   34 o  266.658   6.9877  192.497   10.069   0.0000   0.0000  192.497   10.069  ?   ?   266.658   6.9877      ?      ? 
1 1 1   15   12   35 o  108.127   7.7106   29.932   4.3580   39.516   7.4021   24.847   5.3914  120.589   11.359   95.665   10.429 24.92353 15.42111 
1 1 1   15   12   36 o   95.394   8.8718   24.383   4.4174   26.304   7.3775   23.310   5.5155   98.188   13.905   92.600   11.023 5.588776 17.74363 
1 1 1   15   12   37 o  303.676   5.3759  249.417   8.7889  256.890   13.083  243.271   11.865  307.774   7.8664  299.578   7.3295 8.196014 10.75182 
1 1 1   15   12   38 o  255.708   5.3171  177.818   7.3179  170.424   10.701  184.314   10.030  250.651   7.9005  260.764   7.1181 -10.11267 10.63418 
1 1 1   15   12   39 o  396.244   8.2673  426.232   17.702   0.0000   0.0000  426.232   17.702  ?   ?   396.244   8.2673      ?      ? 
1 1 1   15   12   40 o  215.376   5.4107  125.309   6.2506  130.888   9.5167  121.076   8.2892  219.520   8.0227  211.232   7.2621 8.287964 10.82140 
1 1 1   15   12   41 o   59.217   12.390   9.3405   4.1860   12.810   6.8075   7.2312   5.3082   66.746   18.319   51.688   16.688 15.05724 24.78065 
1 1 1   15   12   42 o  197.996   7.2886  106.481   7.7980   0.0000   0.0000  106.481   7.7980  ?   ?   197.996   7.2886      ?      ? 
1 1 1   15   12   43 o  254.826   5.3146  176.620   7.2979  175.696   10.712  177.420   9.9697  254.142   7.8001  255.510   7.2208 -1.367798 10.62928 
1 1 1   15   12   44 o  274.546   7.3788  205.111   10.947   0.0000   0.0000  205.111   10.947  ?   ?   274.546   7.3788      ?      ? 
1 1 1   15   12   45 o  159.321   10.100   69.899   8.6427   64.752   11.476   76.644   13.137  152.727   13.905  165.915   14.653 -13.18871 20.20070 
1 1 1   15   12   46 o   63.102   16.042   9.3337   7.6351   16.414   10.129   0.0158   11.619   74.443   22.925   51.761   22.448 22.68264 32.08490 
1 1 1   15   12   47 o  133.390   12.605   53.683   8.3524   65.991   11.204   38.288   12.531  153.765   13.485  113.015   21.300 40.74990 25.20972 
1 1 1   15   12   48 o   50.612   12.178   6.6612   4.4042   0.1410   7.2277   10.512   5.5545   41.387   17.826   59.837   16.597 -18.45079 24.35678 
1 1 1   15   12   49 o  189.789   5.7867   99.060   5.9043   95.278   8.7001  102.289   8.0390  186.261   8.6440  193.317   7.6956 -7.056213 11.57332 
1 1 1   15   12   50 o  122.503   7.4746   41.771   4.8936   40.268   7.4107   42.933   6.5164  120.289   11.401  124.717   9.6693 -4.428207 14.94929 
1 1 1   15   12   51 o  140.276   6.8485   53.459   5.1432   63.576   7.9087   46.044   6.7705  151.576   9.6558  128.976   9.7146 22.59958 13.69698 
1 1 1   15   12   52 o  164.443   6.2255   74.401   5.5044   77.323   8.2674   72.073   7.3772  167.191   9.1510  161.696   8.4432 5.495712 12.45104 
1 1 1   15   12   53 o   53.353   13.991   7.4335   5.1157   6.7680   9.2946   7.7227   6.1273   54.448   21.462   52.258   17.956 2.189777 27.98269 
1 1 1   15   12   54 o  102.043   12.071   31.182   6.2003   30.923   10.302   31.329   7.7638   99.561   19.846  104.525   13.746 -4.964180 24.14144 
1 1 1   15   12   55 o  109.043   11.009   32.731   6.2417   43.333   10.782   27.387   7.6548  120.980   16.493   97.107   14.588 23.87300 22.01890 
1 1 1   15   12   56 o   37.782   11.964  -2.2227   5.1697  -6.1512   7.2497   1.8419   7.3742   33.086   15.600   42.478   18.144 -9.391376 23.92877 
1 1 1   15   12   57 o  164.292   6.9997   75.714   6.1996   79.126   9.1516   72.820   8.4282  167.564   10.107  161.020   9.6865 6.544205 13.99933 
1 1 1   15   12   58 o  125.201   8.5145   44.621   5.7337   48.853   8.6322   41.280   7.6701  130.338   12.256  120.063   11.822 10.27402 17.02902 
1 1 1   15   12   59 o  186.253   6.6725   99.495   6.6964   97.576   9.7789  101.190   9.1889  184.109   9.8294  188.397   9.0261 -4.287994 13.34496 
1 1 1   15   12   60 o   74.783   13.299   18.541   5.4220   23.638   8.0991   14.402   7.2988   84.610   18.251   64.956   19.348 19.65385 26.59778 
1 1 1   15   12   61 o  129.853   8.3630   50.027   5.8470   53.787   8.7331   46.972   7.8717  134.005   12.060  125.701   11.589 8.303848 16.72593 
1 1 1   15   13    0 o  429.734   6.2606  498.834   14.525  508.853   21.063  489.748   20.058  433.841   8.9847  425.626   8.7211 8.214874 12.52122 
1 1 1   15   13    1 o  877.489   10.818  2083.71   51.289  2057.66   71.778  2110.88   73.313  871.894   15.235  883.084   15.364 -11.18951 21.63655 
1 1 1   15   13    2 o  350.929   7.9811  332.901   15.135   0.0000   0.0000  332.901   15.135  ?   ?   350.929   7.9811      ?      ? 
1 1 1   15   13    4 o  227.946   7.2152  130.650   7.8047  121.067   8.9386  161.396   16.011  211.629   7.8164  244.263   12.130 -32.63419 14.43035 
1 1 1   15   13    5 o  410.275   7.7247  458.468   16.039  464.620   19.586  445.946   27.944  414.555   8.7432  405.994   12.737 8.560547 15.44943 
1 1 1   15   13    6 o  768.715   11.935  1595.38   46.244  1614.41   81.993  1586.50   56.000  771.737   19.662  765.693   13.535 6.044067 23.86983 
1 1 1   15   13    7 o  428.915   8.0966  488.023   16.892  519.594   32.275  476.113   19.823  438.184   13.631  419.646   8.7419 18.53738 16.19315 
1 1 1   15   13   10 o  989.756   17.170  2653.62   91.831   0.0000   0.0000  2653.62   91.831  ?   ?   989.756   17.170      ?      ? 
1 1 1   15   13   11 o  403.284   6.6292  446.801   13.196  422.297   23.878  457.575   15.833  395.130   11.183  411.439   7.1216 -16.30820 13.25847 
1 1 1   15   13   12 o  640.880   11.884  1111.11   41.156   0.0000   0.0000  1111.11   41.156  ?   ?   640.880   11.884      ?      ? 
1 1 1   15   13   13 o  417.431   6.2004  470.956   13.986   0.0000   0.0000  470.956   13.986  ?   ?   417.431   6.2004      ?      ? 
1 1 1   15   13   14 o  621.707   8.0810  1044.96   27.148   0.0000   0.0000  1044.96   27.148  ?   ?   621.707   8.0810      ?      ? 
1 1 1   15   13   15 o  332.047   7.6940  298.069   13.805   0.0000   0.0000  298.069   13.805  ?   ?   332.047   7.6940      ?      ? 
1 1 1   15   13   16 o  383.550   6.0262  397.625   12.490   0.0000   0.0000  397.625   12.490  ?   ?   383.550   6.0262      ?      ? 
1 1 1   15   13   17 o  433.297   8.7758  507.719   20.548   0.0000   0.0000  507.719   20.548  ?   ?   433.297   8.7758      ?      ? 
1 1 1   15   13   18 o  350.855   5.8699  332.733   11.129   0.0000   0.0000  332.733   11.129  ?   ?   350.855   5.8699      ?      ? 
1 1 1   15   13   19 o  158.579   6.6889   67.980   5.7318   0.0000   0.0000   67.980   5.7318  ?   ?   158.579   6.6889      ?      ? 
1 1 1   15   13   20 o  499.914   6.9571  675.619   18.794   0.0000   0.0000  675.619   18.794  ?   ?   499.914   6.9571      ?      ? 
1 1 1   15   13   21 o  168.778   10.260   77.071   9.3573   0.0000   0.0000   77.071   9.3573  ?   ?   168.778   10.260      ?      ? 
1 1 1   15   13   22 o  617.887   9.8917  1029.77   30.803  1046.85   54.689  1021.83   37.279  621.328   16.289  614.446   11.228 6.882324 19.78348 
1 1 1   15   13   23 o  555.387   8.7258  824.733   21.947  854.279   46.422  816.229   24.906  561.402   15.303  549.373   8.3898 12.02905 17.45164 
1 1 1   15   13   24 o  212.381   7.5685  124.219   7.8801  116.937   14.409  127.326   9.4125  207.783   12.833  216.980   8.0278 -9.196930 15.13698 
1 1 1   15   13   25 o  477.371   8.1557  629.590   20.593  500.901   29.920  745.430   28.387  429.945   12.878  524.797   10.010 -94.85199 16.31133 
1 1 1   15   13   26 o  460.539   7.8515  562.428   18.454  539.618   22.436  610.135   32.448  446.555   9.2980  474.522   12.654 -27.96710 15.70299 
1 1 1   15   13   27 o  391.738   7.1202  408.751   14.458  392.791   17.896  438.739   24.531  381.006   8.6925  402.471   11.280 -21.46539 14.24039 
1 1 1   15   13   28 o  348.329   5.8174  328.573   10.942  316.019   15.539  340.920   15.410  341.712   8.4153  354.946   8.0342 -13.23419 11.63470 
1 1 1   15   13   29 o  545.478   10.223  806.136   30.134   0.0000   0.0000  806.136   30.134  ?   ?   545.478   10.223      ?      ? 
1 1 1   15   13   30 f  282.985   7.3769  216.694   11.280   0.0000   0.0000  216.694   11.280  ?   ?   282.985   7.3769      ?      ? 
1 1 1   15   13   31 o  347.562   7.7344  326.984   14.526   0.0000   0.0000  326.984   14.526  ?   ?   347.562   7.7344      ?      ? 
1 1 1   15   13   32 o   76.793   11.594   15.340   4.4995   22.098   7.8211   11.997   5.5010   88.531   16.966   65.055   15.805 23.47588 23.18700 
1 1 1   15   13   33 o  434.395   8.6380  511.409   20.276   0.0000   0.0000  511.409   20.276  ?   ?   434.395   8.6380      ?      ? 
1 1 1   15   13   34 o  259.172   7.0537  181.896   9.8786   0.0000   0.0000  181.896   9.8786  ?   ?   259.172   7.0537      ?      ? 
1 1 1   15   13   35 o  292.025   7.2506  231.038   11.441   0.0000   0.0000  231.038   11.441  ?   ?   292.025   7.2506      ?      ? 
1 1 1   15   13   36 o  264.677   7.0856  189.859   10.134   0.0000   0.0000  189.859   10.134  ?   ?   264.677   7.0856      ?      ? 
1 1 1   15   13   37 o  151.295   6.4864   61.768   5.0835   63.616   8.5570   60.760   6.3196  152.921   10.355  149.669   7.8140 3.252106 12.97272 
1 1 1   15   13   38 o   81.344   10.756   17.719   4.3504   22.182   7.6346   15.573   5.2940   88.390   16.594   74.298   13.690 14.09202 21.51240 
1 1 1   15   13   39 o  196.732   5.6908  105.178   5.9738  104.828   9.1961  105.433   7.8575  196.365   8.6666  197.098   7.3776 -0.7337646 11.38152 
1 1 1   15   13   40 o  253.589   5.4324  175.233   7.3875  170.124   11.063  179.346   9.9248  250.149   8.1842  257.029   7.1458 -6.880493 10.86479 
1 1 1   15   13   41 o  230.561   7.2760  144.386   9.0649   0.0000   0.0000  144.386   9.0649  ?   ?   230.561   7.2760      ?      ? 
1 1 1   15   13   42 o   76.629   11.350   16.379   4.4583   19.500   7.2398   14.472   5.6585   82.266   16.853   70.991   15.209 11.27509 22.70058 
1 1 1   15   13   43 o  201.153   7.9735  115.592   7.9403  123.545   9.6866   99.302   13.863  212.852   8.4218  189.453   13.542 23.39873 15.94690 
1 1 1   15   13   44 o  137.678   11.182   52.625   8.2816   48.941   11.086   57.275   12.457  132.361   15.500  142.995   16.121 -10.63420 22.36415 
1 1 1   15   13   45 o  114.893   13.130   37.358   7.9256   32.815   10.433   43.559   12.188  105.958   18.915  123.827   18.215 -17.86883 26.25937 
1 1 1   15   13   46 o  182.314   9.5547   93.508   9.3161  106.441   13.018   79.932   13.338  195.839   12.301  168.789   14.623 27.05043 19.10943 
1 1 1   15   13   47 o   94.962   10.228   26.871   4.7854   21.483   7.7515   30.189   6.0830   85.377   17.392  104.547   10.768 -19.16987 20.45566 
1 1 1   15   13   48 o  189.237   5.8925   98.054   5.9870   99.672   9.0208   96.780   8.0039  190.480   8.7641  187.994   7.8790 2.485901 11.78507 
1 1 1   15   13   49 o  141.739   6.8024   54.657   5.1498   60.385   8.0480   50.685   6.7013  147.798   10.077  135.680   9.1402 12.11798 13.60473 
1 1 1   15   13   50 o   36.163   11.495  -2.7415   4.5661   0.0417   7.4045  -4.4493   5.8003   41.306   17.917   31.020   14.405 10.28593 22.98947 
1 1 1   15   13   51 o   81.036   14.181   21.019   5.9853   17.860   10.488   22.545   7.2888   74.929   23.370   87.144   16.071 -12.21480 28.36200 
1 1 1   15   13   52 f  135.202   9.5854   53.920   6.6302   45.135   10.702   59.392   8.4465  124.626   15.892  145.777   10.723 -21.15108 19.17077 
1 1 1   15   13   53 o  166.568   8.4623   79.588   7.3645   72.455   11.692   84.279   9.4815  159.251   13.587  173.885   10.091 -14.63377 16.92462 
1 1 1   15   13   54 o   47.613   12.737   4.0918   4.7509   10.219   7.2994  -0.4117   6.2578   58.153   19.603   37.073   16.268 21.07994 25.47373 
1 1 1   15   13   55 o   54.959   13.467   8.9381   4.8303   10.337   7.4632   7.9295   6.3364   57.887   19.820   52.032   18.238 5.855019 26.93445 
1 1 1   15   13   56 o   48.205   13.244   4.7756   5.0344   9.7194   7.8411   1.3082   6.5667   56.508   20.240   39.902   17.085 16.60561 26.48711 
1 1 1   15   13   57 o  142.525   8.1310   59.489   6.0402   44.246   8.8139   72.987   8.2940  123.648   13.192  161.403   9.5097 -37.75492 16.26193 
1 1 1   15   13   58 o   69.900   13.477   16.286   5.3697   22.870   8.1397   11.213   7.1448   82.339   18.718   57.461   19.394 24.87803 26.95369 
1 1 1   15   13   59 o   69.169   14.033   16.146   5.5464   20.201   8.3715   12.974   7.4047   76.636   20.002   61.702   19.688 14.93362 28.06589 
1 1 1   15   13   60 o  125.827   8.8127   47.240   5.9663   51.041   8.9578   44.209   7.9987  130.055   12.746  121.599   12.173 8.455978 17.62539 
1 1 1   15   14    0 o  393.856   9.0381  419.508   19.225  400.676   26.894  439.189   27.494  384.815   12.934  402.898   12.628 -18.08383 18.07630 
1 1 1   15   14    1 o  993.187   17.288  2678.83   92.777  2693.69  132.202  2664.41  130.232  995.876   24.567  990.498   24.332 5.377869 34.57688 
1 1 1   15   14    2 o  654.550   17.294  1160.58   61.169  1160.58   61.169   0.0000   0.0000  654.550   17.294  ?   ?       ?      ? 
1 1 1   15   14    3 o  613.341   9.9668  1003.70   30.526  981.172   36.528  1055.86   55.582  602.288   11.224  624.393   16.474 -22.10529 19.93362 
1 1 1   15   14    4 o  398.447   7.8085  414.914   15.155  397.232   17.731  462.838   29.191  383.313   8.5604  413.581   13.062 -30.26804 15.61709 
1 1 1   15   14    5 o  120.057   11.628   27.548   6.0840   62.748   15.298   20.935   6.6309  152.163   18.606   87.950   13.952 64.21312 23.25612 
1 1 1   15   14    6 o  558.764   9.3356  853.706   26.613  817.568   45.442  872.571   32.833  549.522   15.303  568.005   10.697 -18.48376 18.67125 
1 1 1   15   14    7 o  237.880   5.8684  152.861   7.5394  156.537   10.881  149.466   10.456  240.627   8.3684  235.132   8.2295 5.495239 11.73688 
1 1 1   15   14    8 o  812.941   10.162  1787.81   44.622  1753.11   62.057  1824.94   64.206  804.790   14.270  821.092   14.471 -16.30133 20.32341 
1 1 1   15   14    9 o  397.879   8.6975  428.012   18.700   0.0000   0.0000  428.012   18.700  ?   ?   397.879   8.6975      ?      ? 
1 1 1   15   14   10 o  357.516   8.6034  345.578   16.621  345.578   16.621   0.0000   0.0000  357.516   8.6034  ?   ?       ?      ? 
1 1 1   15   14   11 o  491.070   8.0729  656.299   20.517  638.513   34.130  666.363   25.673  485.738   13.003  496.403   9.5710 -10.66541 16.14577 
1 1 1   15   14   12 o  608.164   7.9932  999.958   26.268   0.0000   0.0000  999.958   26.268  ?   ?   608.164   7.9932      ?      ? 
1 1 1   15   14   13 o  122.447   10.575   40.558   6.9971   0.0000   0.0000   40.558   6.9971  ?   ?   122.447   10.575      ?      ? 
1 1 1   15   14   14 o  606.377   11.466  994.959   37.572   0.0000   0.0000  994.959   37.572  ?   ?   606.377   11.466      ?      ? 
1 1 1   15   14   15 o  439.160   6.5140  521.347   15.458   0.0000   0.0000  521.347   15.458  ?   ?   439.160   6.5140      ?      ? 
1 1 1   15   14   16 o  429.882   8.8154  499.765   20.478   0.0000   0.0000  499.765   20.478  ?   ?   429.882   8.8154      ?      ? 
1 1 1   15   14   17 o  920.242   11.342  2291.52   56.400   0.0000   0.0000  2291.52   56.400  ?   ?   920.242   11.342      ?      ? 
1 1 1   15   14   18 o  479.569   7.7081  621.835   19.975   0.0000   0.0000  621.835   19.975  ?   ?   479.569   7.7081      ?      ? 
1 1 1   15   14   19 o   59.103   16.037   9.7799   5.2521   0.0000   0.0000   9.7799   5.2521  ?   ?    59.103   16.037      ?      ? 
1 1 1   15   14   20 o  539.902   10.260  788.710   29.932   0.0000   0.0000  788.710   29.932  ?   ?   539.902   10.260      ?      ? 
1 1 1   15   14   21 o  313.230   5.8372  265.209   9.8800   0.0000   0.0000  265.209   9.8800  ?   ?   313.230   5.8372      ?      ? 
1 1 1   15   14   22 o  442.919   6.6156  530.379   15.834   0.0000   0.0000  530.379   15.834  ?   ?   442.919   6.6156      ?      ? 
1 1 1   15   14   23 f  333.881   6.9219  282.520   9.9359  334.009   23.270  271.041   10.988  351.146   12.264  316.616   6.4223 34.52905 13.84372 
1 1 1   15   14   24 o  1035.99   15.457  2956.37   82.945  2810.81  136.736  3041.11  104.332  1014.25   24.949  1057.73   18.254 -43.48419 30.91358 
1 1 1   15   14   25 o  399.357   12.711  432.207   27.431  432.207   27.431   0.0000   0.0000  399.357   12.711  ?   ?       ?      ? 
1 1 1   15   14   26 o  350.302   12.285  332.658   23.254  332.658   23.254   0.0000   0.0000  350.302   12.285  ?   ?       ?      ? 
1 1 1   15   14   27 f  236.228   9.8559  151.149   12.581   0.0000   0.0000  151.149   12.581  ?   ?   236.228   9.8559      ?      ? 
1 1 1   15   14   28 o  563.735   10.586  861.243   32.248   0.0000   0.0000  861.243   32.248  ?   ?   563.735   10.586      ?      ? 
1 1 1   15   14   29 o  356.966   5.9101  345.113   11.395  333.313   16.136  356.849   16.093  350.864   8.5108  363.067   8.2028 -12.20337 11.82027 
1 1 1   15   14   30 o  392.046   8.3453  416.228   17.679   0.0000   0.0000  416.228   17.679  ?   ?   392.046   8.3453      ?      ? 
1 1 1   15   14   31 o  151.632   7.0196   62.199   5.5988   63.040   9.0448   61.677   7.1288  152.397   10.983  150.867   8.7445 1.529968 14.03927 
1 1 1   15   14   32 o  542.755   10.198  799.458   29.908   0.0000   0.0000  799.458   29.908  ?   ?   542.755   10.198      ?      ? 
1 1 1   15   14   33 o  277.579   5.5416  208.581   8.2621  210.591   12.409  206.981   11.074  278.737   8.2386  276.421   7.4136 2.315613 11.08311 
1 1 1   15   14   34 o  204.276   7.2523  113.067   8.0053   0.0000   0.0000  113.067   8.0053  ?   ?   204.276   7.2523      ?      ? 
1 1 1   15   14   35 o  149.262   6.7076   58.773   5.2388   67.477   8.7903   53.979   6.5240  157.504   10.328  141.019   8.5614 16.48477 13.41524 
1 1 1   15   14   36 o  233.461   5.6160  149.027   6.9925  139.753   10.593  156.190   9.3087  226.886   8.6401  240.036   7.1767 -13.14977 11.23195 
1 1 1   15   14   37 o  140.789   7.0761   53.814   5.0950   54.344   8.7712   53.545   6.2593  141.148   11.500  140.430   8.2486 0.7173615 14.15230 
1 1 1   15   14   38 o  375.774   5.8973  383.000   11.933  392.578   17.723  375.059   16.139  379.984   8.6315  371.564   8.0380 8.420593 11.79460 
1 1 1   15   14   39 o  266.339   5.5848  193.082   7.9796  190.228   11.979  195.358   10.699  264.469   8.3825  268.209   7.3818 -3.740570 11.16952 
1 1 1   15   14   40 o  195.575   5.8765  104.642   6.1086  100.684   9.4384  107.495   8.0133  192.243   9.0858  198.907   7.4554 -6.664185 11.75304 
1 1 1   15   14   41 o   32.442   10.679  -5.2127   4.4301  -7.0799   7.2849  -4.1169   5.5805   33.766   15.832   31.118   14.337 2.648664 21.35857 
1 1 1   15   14   42 o  167.578   8.6681   72.072   7.2596   64.396   8.5669   91.622   13.673  153.309   10.341  181.847   13.914 -28.53831 17.33620 
1 1 1   15   14   43 o  172.482   10.175   83.211   9.3582   86.059   12.411   79.459   14.247  176.366   13.023  168.598   15.638 7.768234 20.35057 
1 1 1   15   14   44 o  232.686   8.8163  150.315   11.007  154.617   14.848  145.068   16.399  236.760   11.606  228.612   13.275 8.147995 17.63258 
1 1 1   15   14   45 o  336.336   7.1261  311.085   11.997  311.487   21.447  310.903   14.474  335.353   11.835  337.319   7.9405 -1.966339 14.25220 
1 1 1   15   14   46 o  194.160   7.7337  103.019   8.1140   0.0000   0.0000  103.019   8.1140  ?   ?   194.160   7.7337      ?      ? 
1 1 1   15   14   47 o   77.146   11.637   17.345   4.6470   19.141   7.2694   16.104   6.0430   80.260   17.273   74.031   15.598 6.229362 23.27365 
1 1 1   15   14   48 o  159.212   8.5900   73.308   6.4696   65.225   12.252   76.433   7.6184  151.575   14.958  166.849   8.4499 -15.27385 17.17994 
1 1 1   15   14   49 o   53.437   14.496   2.3672   5.6979   15.248   10.940  -2.4279   6.6747   70.731   23.997   36.144   16.269 34.58649 28.99222 
1 1 1   15   14   50 o  197.644   7.9028  107.229   8.0881  116.081   13.750  102.545   10.001  202.916   12.540  192.373   9.6212 10.54288 15.80553 
1 1 1   15   14   51 o  201.324   6.7253  112.082   7.3010  106.652   9.9390  118.446   10.760  196.120   9.3785  206.529   9.6417 -10.40935 13.45062 
1 1 1   15   14   52 o  235.507   5.7484  152.506   7.2989  158.133   10.759  147.709   9.9343  239.414   8.3166  231.601   7.9380 7.812653 11.49682 
1 1 1   15   14   53 o   39.495   11.612  -3.3351   4.6949   7.7195   7.2488 -11.3234   6.1619   52.946   19.390   26.045   12.780 26.90112 23.22315 
1 1 1   15   14   54 o  180.394   6.4715   90.917   6.2724   89.126   9.3236   92.398   8.4776  178.441   9.6695  182.348   8.6037 -3.907578 12.94305 
1 1 1   15   14   55 o   53.273   12.046   4.3530   4.9727   18.278   7.7157  -5.5400   6.5035   75.092   19.000   31.455   14.814 43.63754 24.09262 
1 1 1   15   14   56 f  121.868   8.8162   42.249   5.7762   47.161   8.7147   38.399   7.7141  128.051   12.595  115.685   12.340 12.36557 17.63247 
1 1 1   15   14   57 o   46.341   13.400   4.7746   5.3621   2.9882   8.1193   6.1563   7.1410   44.597   19.044   48.084   18.857 -3.487602 26.80011 
1 1 1   15   14   58 o   67.856   13.822   15.153   5.4585   22.001   8.4769   10.303   7.1345   80.014   19.730   55.698   19.362 24.31533 27.64378 
1 1 1   15   14   59 o  201.738   6.5827  117.342   7.1078  104.042   10.320  129.343   9.8033  189.834   10.061  213.642   8.4917 -23.80769 13.16550 
1 1 1   15   15    0 o  795.799   9.9641  1713.64   42.841  1690.00   59.917  1738.36   61.278  790.192   14.032  801.407   14.150 -11.21503 19.92823 
1 1 1   15   15    1 o  447.920   6.6038  540.603   15.951  513.454   21.728  572.340   23.492  435.769   9.2274  460.070   9.4496 -24.30142 13.20753 
1 1 1   15   15    2 o  650.872   12.162  1145.41   42.727  1102.70   58.720  1193.47   62.287  638.020   17.032  663.725   17.367 -25.70483 24.32476 
1 1 1   15   15    3 o  563.011   11.046  858.188   33.594  863.513   48.191  853.153   46.855  564.696   15.793  561.326   15.447 3.370422 22.09145 
1 1 1   15   15    4 o  406.314   9.4980  447.115   20.836  436.487   29.856  457.207   29.092  401.587   13.758  411.042   13.098 -9.454895 18.99593 
1 1 1   15   15    5 o  530.419   10.783  761.943   30.900  753.378   44.009  770.270   43.395  527.464   15.440  533.374   15.056 -5.909729 21.56621 
1 1 1   15   15    6 o  894.414   13.657  2186.18   62.752  2113.29  105.861  2225.67   77.916  882.315   22.204  906.513   15.906 -24.19763 27.31324 
1 1 1   15   15    8 o  616.513   11.468  1028.32   38.204   0.0000   0.0000  1028.32   38.204  ?   ?   616.513   11.468      ?      ? 
1 1 1   15   15    9 o  484.977   6.9209  636.137   18.137  635.823   25.769  636.445   25.531  484.856   9.8354  485.098   9.7397 -0.2419739 13.84189 
1 1 1   15   15   10 o  933.641   14.000  2361.32   66.484  2378.38  115.672  2352.90   81.245  935.461   22.883  931.821   16.135 3.639343 27.99970 
1 1 1   15   15   11 o  614.178   9.6438  1023.61   30.395  1014.41   51.741  1028.45   37.559  611.854   15.649  616.503   11.274 -4.649292 19.28766 
1 1 1   15   15   12 o  126.302   10.544   43.158   7.1960   0.0000   0.0000   43.158   7.1960  ?   ?   126.302   10.544      ?      ? 
1 1 1   15   15   13 o  715.630   9.1325  1385.07   35.315   0.0000   0.0000  1385.07   35.315  ?   ?   715.630   9.1325      ?      ? 
1 1 1   15   15   14 o  433.116   6.5549  507.094   15.341   0.0000   0.0000  507.094   15.341  ?   ?   433.116   6.5549      ?      ? 
1 1 1   15   15   15 o  426.802   9.7173  492.724   22.411   0.0000   0.0000  492.724   22.411  ?   ?   426.802   9.7173      ?      ? 
1 1 1   15   15   16 o  282.781   7.8907  216.225   12.057   0.0000   0.0000  216.225   12.057  ?   ?   282.781   7.8907      ?      ? 
1 1 1   15   15   17 o  386.561   7.2630  404.022   15.171   0.0000   0.0000  404.022   15.171  ?   ?   386.561   7.2630      ?      ? 
1 1 1   15   15   18 o  246.706   10.176  164.678   13.566   0.0000   0.0000  164.678   13.566  ?   ?   246.706   10.176      ?      ? 
1 1 1   15   15   19 o  558.049   7.6768  842.088   23.149   0.0000   0.0000  842.088   23.149  ?   ?   558.049   7.6768      ?      ? 
1 1 1   15   15   20 o  115.122   9.6365   35.858   5.9947   0.0000   0.0000   35.858   5.9947  ?   ?   115.122   9.6365      ?      ? 
1 1 1   15   15   21 o  458.085   9.9728  567.942   24.686   0.0000   0.0000  567.942   24.686  ?   ?   458.085   9.9728      ?      ? 
1 1 1   15   15   22 o  397.928   7.4188  428.253   15.953   0.0000   0.0000  428.253   15.953  ?   ?   397.928   7.4188      ?      ? 
1 1 1   15   15   23 o  221.316   7.3708  131.249   7.0683  134.887   15.856  130.346   7.8963  223.079   13.154  219.554   6.6557 3.524994 14.74158 
1 1 1   15   15   24 o  365.841   7.4257  356.906   13.452  376.351   24.875  348.868   15.993  372.608   12.354  359.073   8.2425 13.53510 14.85143 
1 1 1   15   15   26 o  180.729   9.1420   89.992   7.7372   85.923   15.263   91.400   8.9760  177.732   15.892  183.725   9.0412 -5.993423 18.28392 
1 1 1   15   15   27 o  427.178   8.9330  494.150   20.620   0.0000   0.0000  494.150   20.620  ?   ?   427.178   8.9330      ?      ? 
1 1 1   15   15   28 o  315.677   6.7803  264.500   11.217  248.798   14.048  292.117   18.631  303.106   8.5770  328.247   10.504 -25.14066 13.56065 
1 1 1   15   15   29 o  257.599   5.9588  180.885   8.2344  158.121   11.764  202.753   11.530  241.560   9.0124  273.637   7.7977 -32.07695 11.91755 
1 1 1   15   15   30 o  379.767   8.4134  390.798   17.265   0.0000   0.0000  390.798   17.265  ?   ?   379.767   8.4134      ?      ? 
1 1 1   15   15   31 o  290.564   7.6987  228.715   12.088   0.0000   0.0000  228.715   12.088  ?   ?   290.564   7.6987      ?      ? 
1 1 1   15   15   32 o  563.430   10.540  862.474   32.090   0.0000   0.0000  862.474   32.090  ?   ?   563.430   10.540      ?      ? 
1 1 1   15   15   33 o   60.003   11.896   10.333   4.8356  -1.6230   8.0580   17.062   6.0450   42.312   18.516   77.694   14.941 -35.38213 23.79237 
1 1 1   15   15   34 o  210.420   5.9015  120.195   6.6064  119.972   10.281  120.352   8.6221  210.171   9.0525  210.669   7.5740 -0.4979248 11.80310 
1 1 1   15   15   35 o  198.106   6.0106  105.967   6.2735  109.107   10.127  104.011   7.9914  200.375   9.3532  195.836   7.5517 4.538773 12.02125 
1 1 1   15   15   36 o  231.627   5.6679  146.446   6.9936  140.715   10.721  150.691   9.2273  227.558   8.7186  235.696   7.2449 -8.137619 11.33588 
1 1 1   15   15   37 o  205.601   5.9321  115.131   6.4600  113.829   10.168  116.012   8.3653  204.496   9.2016  206.706   7.4893 -2.209885 11.86422 
1 1 1   15   15   38 o  188.896   6.0208   95.274   6.0240  105.937   9.7123   88.608   7.6797  197.231   9.1129  180.561   7.8710 16.67032 12.04154 
1 1 1   15   15   39 o   97.971   14.597   27.339   7.0652   26.273   8.5348   29.662   12.594   95.863   17.103  100.080   23.660 -4.216568 29.19475 
1 1 1   15   15   40 o  114.908   14.050   37.757   8.3780   28.063   11.431   49.009   12.315   97.393   22.212  132.423   17.210 -35.02985 28.09934 
1 1 1   15   15   41 o  257.346   8.5097  181.332   11.791  170.383   15.871  194.820   17.615  248.819   11.804  265.873   12.261 -17.05418 17.01949 
1 1 1   15   15   42 o  116.399   14.385   41.966   8.3771   54.572   11.240   26.216   12.564  139.927   14.866   92.871   24.632 47.05573 28.77049 
1 1 1   15   15   43 o   76.208   16.186   14.912   7.6687   6.2275   9.8781   28.086   12.166   56.352   22.153   96.065   23.606 -39.71357 32.37257 
1 1 1   15   15   44 o  249.665   5.7301  169.469   7.6364  176.346   11.853  164.589   9.9848  253.770   8.6438  245.561   7.5247 8.208511 11.46019 
1 1 1   15   15   45 o  123.900   12.232   51.973   6.0171   31.869   12.269   58.339   6.9044  101.929   22.842  145.872   8.7592 -43.94279 24.46386 
1 1 1   15   15   46 o  259.021   7.6712  186.302   10.440  184.189   16.783  187.635   13.335  257.042   12.083  261.000   9.4548 -3.957581 15.34244 
1 1 1   15   15   47 f   49.048   14.333  -0.9239   5.7400   11.277   11.341  -5.1261   6.6555   64.911   24.167   33.186   15.418 31.72580 28.66582 
1 1 1   15   15   48 o  206.875   8.0570  118.011   8.5649  124.009   14.707  114.932   10.536  209.837   12.970  203.913   9.5618 5.923264 16.11390 
1 1 1   15   15   49 o   93.474   10.768   25.449   5.1790   25.248   8.2131   25.582   6.6730   91.826   17.184   95.121   12.982 -3.294594 21.53651 
1 1 1   15   15   50 o   55.198   13.344   7.9805   4.7292   12.359   7.7567   5.3899   5.9664   63.537   20.137   46.859   17.512 16.67820 26.68707 
1 1 1   15   15   51 o  118.950   11.010   39.632   7.0771   0.0000   0.0000   39.632   7.0771  ?   ?   118.950   11.010      ?      ? 
1 1 1   15   15   52 o  123.901   8.2554   42.787   5.4723   48.194   8.5000   38.959   7.1516  130.289   12.073  117.512   11.262 12.77696 16.51076 
1 1 1   15   15   53 o   67.184   12.929   14.910   5.2288   7.1741   8.1956   20.220   6.7902   52.768   20.337   81.600   15.971 -28.83204 25.85855 
1 1 1   15   15   54 o   84.890   12.439   22.883   5.5386   20.097   8.5000   24.938   7.3014   78.072   20.045   91.708   14.734 -13.63641 24.87736 
1 1 1   15   15   55 o  138.744   12.528   55.349   9.3928   55.349   9.3928   0.0000   0.0000  138.744   12.528  ?   ?       ?      ? 
1 1 1   15   15   56 o  156.464   7.6822   71.844   6.2860   54.703   9.1884   86.924   8.6184  137.132   12.400  175.795   9.0726 -38.66325 15.36440 
1 1 1   15   15   57 o  119.900   9.1397   43.228   5.8586   40.797   8.7541   45.200   7.8846  115.840   13.985  123.960   11.771 -8.119102 18.27945 
1 1 1   15   15   58 o  168.460   7.4314   83.342   6.6387   70.469   9.7713   94.379   9.0474  154.884   11.675  182.036   9.1978 -27.15149 14.86283 
1 1 1   15   16    0 o  639.152   8.4465  1104.15   29.154  1069.42   40.374  1141.99   42.142  628.667   11.885  649.637   12.005 -20.97028 16.89295 
1 1 1   15   16    1 o  1563.41   18.858  6605.53  158.311  6246.91  210.268  7074.85  240.543  1515.21   25.681  1611.61   27.621 -96.39880 37.71552 
1 1 1   15   16    2 o  665.129   10.822  1183.15   36.033  1158.84   43.226  1238.51   65.232  654.380   12.224  675.878   17.861 -21.49847 21.64361 
1 1 1   15   16    3 o  934.003   14.231  2379.37   67.881  2331.08  116.329  2404.29   83.587  926.084   23.246  941.923   16.422 -15.83923 28.46180 
1 1 1   15   16    4 o  602.849   10.198  996.475   31.203  947.973   53.729  1021.16   38.329  591.387   16.813  614.311   11.547 -22.92395 20.39622 
1 1 1   15   16    5 o  1180.59   17.789  3743.02  104.800  3664.12  125.409  3925.68  190.810  1161.84   19.975  1199.34   29.442 -37.49951 35.57886 
1 1 1   15   16    6 o  283.566   10.384  217.758   15.900  219.234   22.951  216.396   22.049  284.477   14.930  282.654   14.436 1.822723 20.76787 
1 1 1   15   16    7 o  566.921   11.498  871.268   35.217  862.838   50.095  879.504   49.519  564.190   16.432  569.652   16.087 -5.461487 22.99552 
1 1 1   15   16    8 o  746.173   13.790  1507.10   55.511  1439.41   75.909  1584.91   81.387  728.251   19.290  764.095   19.711 -35.84363 27.57949 
1 1 1   15   16    9 o  797.990   14.555  1729.32   62.758  1723.20   89.069  1735.36   88.440  796.565   20.693  799.414   20.473 -2.849426 29.10920 
1 1 1   15   16   10 o  946.115   16.428  2426.25   83.990   0.0000   0.0000  2426.25   83.990  ?   ?   946.115   16.428      ?      ? 
1 1 1   15   16   11 o  851.056   14.932  1962.13   68.670   0.0000   0.0000  1962.13   68.670  ?   ?   851.056   14.932      ?      ? 
1 1 1   15   16   12 o  724.941   13.316  1423.02   52.165   0.0000   0.0000  1423.02   52.165  ?   ?   724.941   13.316      ?      ? 
1 1 1   15   16   13 o  436.874   6.7919  515.979   16.034   0.0000   0.0000  515.979   16.034  ?   ?   436.874   6.7919      ?      ? 
1 1 1   15   16   14 f  489.582   10.450  648.568   27.646   0.0000   0.0000  648.568   27.646  ?   ?   489.582   10.450      ?      ? 
1 1 1   15   16   15 o  266.277   8.2426  191.749   11.860   0.0000   0.0000  191.749   11.860  ?   ?   266.277   8.2426      ?      ? 
1 1 1   15   16   16 o  416.341   6.5811  468.613   14.806   0.0000   0.0000  468.613   14.806  ?   ?   416.341   6.5811      ?      ? 
1 1 1   15   16   17 o  426.593   7.6940  492.107   17.736   0.0000   0.0000  492.107   17.736  ?   ?   426.593   7.6940      ?      ? 
1 1 1   15   16   18 o  523.429   10.132  741.495   28.658   0.0000   0.0000  741.495   28.658  ?   ?   523.429   10.132      ?      ? 
1 1 1   15   16   19 o  193.974   7.0094  101.749   7.3470   0.0000   0.0000  101.749   7.3470  ?   ?   193.974   7.0094      ?      ? 
1 1 1   15   16   20 o  430.546   7.6624  501.370   17.827   0.0000   0.0000  501.370   17.827  ?   ?   430.546   7.6624      ?      ? 
1 1 1   15   16   21 f  124.313   9.3409   41.823   6.2747   0.0000   0.0000   41.823   6.2747  ?   ?   124.313   9.3409      ?      ? 
1 1 1   15   16   22 o  328.487   6.0811  291.777   10.794   0.0000   0.0000  291.777   10.794  ?   ?   328.487   6.0811      ?      ? 
1 1 1   15   16   23 o  173.771   6.9119   81.684   6.4903   0.0000   0.0000   81.684   6.4903  ?   ?   173.771   6.9119      ?      ? 
1 1 1   15   16   24 o  247.277   6.9706  171.988   7.7511  154.167   15.950  177.497   8.8688  238.385   12.382  256.170   6.4069 -17.78590 13.94122 
1 1 1   15   16   25 o  403.366   7.7212  443.058   15.922  434.910   27.246  447.284   19.621  400.313   12.595  406.418   8.9344 -6.105835 15.44240 
1 1 1   15   16   26 o  283.520   6.2034  218.550   9.4598  206.666   13.824  229.014   12.973  276.206   9.2622  290.835   8.2546 -14.62964 12.40674 
1 1 1   15   16   27 o  122.523   23.596   42.680   15.056   42.680   15.056   0.0000   0.0000  122.523   23.596  ?   ?       ?      ? 
1 1 1   15   16   28 o   60.608   14.318   6.9502   6.3569  -2.4721   8.8258   17.108   9.1639   43.579   19.215   77.636   21.232 -34.05687 28.63578 
1 1 1   15   16   29 o  189.959   11.099   98.018   11.393   0.0000   0.0000   98.018   11.393  ?   ?   189.959   11.099      ?      ? 
1 1 1   15   16   30 o  445.546   6.6282  538.102   15.950  517.129   22.194  560.508   22.939  436.568   9.4078  454.524   9.3394 -17.95578 13.25639 
1 1 1   15   16   31 o  362.199   6.1159  356.004   11.959  336.681   16.844  375.644   16.982  352.251   8.8490  372.147   8.4445 -19.89517 12.23175 
1 1 1   15   16   32 o  336.899   7.9982  307.893   14.561   0.0000   0.0000  307.893   14.561  ?   ?   336.899   7.9982      ?      ? 
1 1 1   15   16   33 o  281.103   5.7893  215.152   8.7508  205.697   12.859  223.309   11.943  275.262   8.6451  286.945   7.7023 -11.68317 11.57858 
1 1 1   15   16   34 o  140.090   7.7647   54.348   5.6493   50.101   9.1734   56.943   7.1703  135.431   12.535  144.749   9.1672 -9.318573 15.52950 
1 1 1   15   16   35 o  289.471   5.7073  226.788   8.8531  233.665   13.502  221.602   11.726  293.219   8.5214  285.722   7.5946 7.496674 11.41453 
1 1 1   15   16   36 o   44.451   14.097  -8.5355   6.8389 -14.6060   8.3679   3.6757   11.868   31.457   15.318   57.446   23.671 -25.98905 28.19486 
1 1 1   15   16   37 o   80.921   16.137   17.840   7.6132   10.601   9.9960   27.838   11.748   64.587   22.883   97.254   22.759 -32.66692 32.27339 
1 1 1   15   16   38 o  232.805   9.0518  149.101   11.357  150.901   15.561  147.049   16.612  234.467   12.282  231.143   13.300 3.324203 18.10366 
1 1 1   15   16   39 f   51.708   15.763  -1.6720   8.1466  -7.0878   10.849   5.3288   12.335   43.575   20.045   59.841   24.333 -16.26624 31.52598 
1 1 1   15   16   40 o  268.366   8.5955  198.637   12.452  202.185   17.320  194.842   17.915  270.989   11.828  265.744   12.475 5.245056 17.19099 
1 1 1   15   16   41 o  205.318   7.3339  113.039   7.2004  121.419   14.140  110.105   8.3664  209.629   12.483  201.007   7.7026 8.622375 14.66777 
1 1 1   15   16   42 o  133.273   12.642   56.518   6.3780   42.703   14.663   59.741   7.0832  118.786   23.676  147.761   8.8712 -28.97491 25.28304 
1 1 1   15   16   43 o   56.765   15.111   8.0029   5.8830   0.2498   13.285   9.8941   6.5614   54.822   23.888   58.707   18.512 -3.885113 30.22126 
1 1 1   15   16   44 o  263.598   8.1858  194.472   11.044  186.644   18.690  198.671   13.689  258.349   13.388  268.847   9.4228 -10.49783 16.37159 
1 1 1   15   16   45 o  246.309   8.3838  172.829   10.516  156.419   17.658  181.847   13.091  235.683   13.866  256.934   9.4288 -21.25107 16.76766 
1 1 1   15   16   46 o   64.248   12.946   12.842   4.9372   7.2907   7.9623   16.310   6.2932   54.259   20.240   74.236   16.148 -19.97726 25.89215 
1 1 1   15   16   47 o  188.344   8.0968   97.439   8.2405   0.0000   0.0000   97.439   8.2405  ?   ?   188.344   8.0968      ?      ? 
1 1 1   15   16   48 o  109.728   9.0160   33.112   5.2541   38.885   8.4357   29.453   6.7158  117.118   13.329  102.338   12.144 14.78079 18.03204 
1 1 1   15   16   49 o  194.019   6.3544  105.252   6.5801   94.823   9.7765  113.889   8.8970  184.710   9.7950  203.329   8.0976 -18.61905 12.70883 
1 1 1   15   16   50 o   40.155   12.035   0.5723   4.7688  -5.3119   7.7614   4.1408   6.0442   35.892   16.667   44.417   17.368 -8.524948 24.07088 
1 1 1   15   16   51 o  152.211   7.6049   65.619   6.1385   62.182   9.4861   68.095   8.0515  148.123   11.852  156.299   9.5331 -8.176071 15.20990 
1 1 1   15   16   52 o   99.756   10.288   28.383   5.4707   33.034   8.6485   25.280   7.0635  106.148   15.078   93.364   14.001 12.78336 20.57579 
1 1 1   15   16   53 o  163.328   7.3516   76.009   6.3773   72.912   9.8393   78.253   8.3746  159.673   11.404  166.982   9.2812 -7.309677 14.70323 
1 1 1   15   16   54 o  197.326   9.0484  108.735   9.6481   0.0000   0.0000  108.735   9.6481  ?   ?   197.326   9.0484      ?      ? 
1 1 1   15   16   55 o  153.341   7.9596   66.382   6.5442   76.589   10.028   58.811   8.6368  163.371   11.359  143.311   11.153 20.06009 15.91912 
1 1 1   15   16   56 o  149.641   8.1785   66.281   6.5347   61.977   9.7883   69.742   8.7771  144.131   12.568  155.152   10.469 -11.02031 16.35705 
1 1 1   15   16   57 o   50.036   14.103   6.8852   5.7047   8.8562   8.6474   5.3664   7.5909   53.352   20.798   46.721   19.053 6.630703 28.20613 
1 1 1   15   17    0 o  375.568   6.4562  381.422   13.101  375.426   18.405  387.580   18.653  372.576   9.1420  378.560   9.1188 -5.983734 12.91231 
1 1 1   15   17    1 o  275.180   14.542  205.113   21.623   0.0000   0.0000  205.113   21.623  ?   ?   275.180   14.542      ?      ? 
1 1 1   15   17    2 o  556.549   10.946  838.080   32.919   0.0000   0.0000  838.080   32.919  ?   ?   556.549   10.946      ?      ? 
1 1 1   15   17    3 o  793.762   12.515  1720.22   50.579  1673.65   87.051  1743.96   62.145  785.089   20.519  802.434   14.332 -17.34509 25.02917 
1 1 1   15   17    4 o  590.313   8.1053  943.006   25.853  929.740   36.542  956.299   36.581  586.150   11.537  594.476   11.388 -8.325317 16.21069 
1 1 1   15   17    5 o  447.147   6.9845  539.955   16.853  556.954   24.613  524.948   23.126  453.754   10.038  440.540   9.7145 13.21399 13.96904 
1 1 1   15   17    8 o  586.374   8.0495  929.763   25.491  952.442   36.810  908.867   35.334  593.230   11.483  579.518   11.283 13.71240 16.09892 
1 1 1   15   17    9 o  607.025   15.775  998.874   51.745  998.874   51.745   0.0000   0.0000  607.025   15.775  ?   ?       ?      ? 
1 1 1   15   17   11 o  163.337   12.618   72.240   11.137   0.0000   0.0000   72.240   11.137  ?   ?   163.337   12.618      ?      ? 
1 1 1   15   17   14 o   97.316   22.922   26.817   11.855   0.0000   0.0000   26.817   11.855  ?   ?    97.316   22.922      ?      ? 
1 1 1   15   17   15 o  101.094   21.985   28.903   11.668   0.0000   0.0000   28.903   11.668  ?   ?   101.094   21.985      ?      ? 
1 1 1   15   17   16 o  396.209   7.6821  424.587   16.447   0.0000   0.0000  424.587   16.447  ?   ?   396.209   7.6821      ?      ? 
1 1 1   15   17   17 o  824.753   12.001  1842.62   53.483   0.0000   0.0000  1842.62   53.483  ?   ?   824.753   12.001      ?      ? 
1 1 1   15   17   18 o  405.842   7.4093  445.466   16.249   0.0000   0.0000  445.466   16.249  ?   ?   405.842   7.4093      ?      ? 
1 1 1   15   17   19 o  438.229   7.5526  519.481   17.885   0.0000   0.0000  519.481   17.885  ?   ?   438.229   7.5526      ?      ? 
1 1 1   15   17   20 o  113.435   10.310   34.854   6.3194   0.0000   0.0000   34.854   6.3194  ?   ?   113.435   10.310      ?      ? 
1 1 1   15   17   21 o  326.709   6.7696  288.735   11.951   0.0000   0.0000  288.735   11.951  ?   ?   326.709   6.7696      ?      ? 
1 1 1   15   17   22 o  215.644   6.6912  125.794   7.7970   0.0000   0.0000  125.794   7.7970  ?   ?   215.644   6.6912      ?      ? 
1 1 1   15   17   23 o  289.765   6.1657  227.103   9.6542   0.0000   0.0000  227.103   9.6542  ?   ?   289.765   6.1657      ?      ? 
1 1 1   15   17   24 o  363.783   7.1143  347.224   11.568  379.279   25.234  338.694   13.017  373.763   12.494  353.803   6.8085 19.95966 14.22868 
1 1 1   15   17   25 o  233.313   7.0085  147.620   7.4553  147.523   15.477  147.650   8.5075  233.045   12.290  233.581   6.7402 -0.5365753 14.01691 
1 1 1   15   17   26 o   73.574   15.703   15.611   6.8651   8.9887   11.932   18.889   8.3936   65.741   24.727   81.406   19.363 -15.66486 31.40619 
1 1 1   15   17   27 o  147.987   12.395   60.941   8.0507   58.243   17.380   61.678   9.0842  145.290   22.137  150.684   11.157 -5.394379 24.78929 
1 1 1   15   17   28 o  256.106   14.841  179.054   20.539  179.054   20.539   0.0000   0.0000  256.106   14.841  ?   ?       ?      ? 
1 1 1   15   17   29 o  369.625   7.5051  355.594   14.164  326.484   17.103  419.144   25.270  346.854   9.1252  392.397   11.918 -45.54306 15.01011 
1 1 1   15   17   30 o  523.076   15.253  749.775   43.112   0.0000   0.0000  749.775   43.112  ?   ?   523.076   15.253      ?      ? 
1 1 1   15   17   31 o  293.785   12.657  235.586   20.092   0.0000   0.0000  235.586   20.092  ?   ?   293.785   12.657      ?      ? 
1 1 1   15   17   32 o  153.732   11.104   62.750   9.0679   52.545   11.629   78.581   14.484  138.339   15.556  169.124   15.849 -30.78543 22.20765 
1 1 1   15   17   33 o  118.971   13.648   39.150   8.7191   37.793   11.617   40.901   13.194  116.769   18.411  121.174   20.151 -4.404594 27.29512 
1 1 1   15   17   34 o  139.078   11.959   53.543   8.9483   53.288   12.095   53.851   13.301  138.869   16.117  139.288   17.672 -0.4190063 23.91799 
1 1 1   15   17   35 o  298.728   8.5563  243.871   13.778  269.144   19.977  220.946   19.027  313.556   11.790  283.900   12.403 29.65662 17.11250 
1 1 1   15   17   36 o   82.573   17.423   20.107   8.3563   21.957   10.817   17.367   13.160   86.346   22.833   78.801   26.323 7.545479 34.84586 
1 1 1   15   17   37 o  342.689   8.6892  321.813   16.066  347.072   23.348  299.099   22.141  355.489   12.155  329.889   12.420 25.59979 17.37832 
1 1 1   15   17   38 o  110.319   12.043   36.978   5.9065   29.865   11.380   39.600   6.9101  100.448   21.608  120.189   10.640 -19.74105 24.08534 
1 1 1   15   17   39 o  240.250   9.1732  167.695   10.810  138.626   18.921  181.779   13.171  222.714   15.722  257.785   9.4551 -35.07082 18.34635 
1 1 1   15   17   40 o  294.863   8.0853  238.289   12.382  243.919   20.665  235.135   15.466  296.804   12.885  292.922   9.7709 3.881866 16.17067 
1 1 1   15   17   41 o   66.074   14.393   14.145   6.2742  -5.4279   14.226   18.872   6.9908   51.774   23.485   80.374   16.644 -28.60019 28.78509 
1 1 1   15   17   42 o  103.836   14.654   38.743   6.6735   20.011   13.972   44.279   7.5960   81.097   27.122  126.576   11.106 -45.47942 29.30736 
1 1 1   15   17   43 o  137.665   8.0692   55.518   5.6051   42.234   9.0281   63.850   7.1500  122.755   13.610  152.576   8.6723 -29.82080 16.13843 
1 1 1   15   17   44 o   53.518   13.645   6.5199   4.8733   11.010   8.4189   4.2572   5.9764   61.985   21.052   45.050   17.365 16.93481 27.28964 
1 1 1   15   17   45 o  124.760   8.0018   41.596   5.2449   50.774   8.7549   36.458   6.5505  134.838   12.016  114.682   10.570 20.15651 16.00354 
1 1 1   15   17   46 o   95.278   10.572   26.360   5.0639   25.853   8.4215   26.647   6.3377   93.051   17.388   97.504   12.029 -4.453735 21.14327 
1 1 1   15   17   47 o  110.960   9.2862   35.583   5.3225   32.111   8.6474   37.701   6.7533  105.666   15.145  116.253   10.750 -10.58688 18.57231 
1 1 1   15   17   48 o  100.924   9.9108   28.189   5.3115   34.798   8.5222   23.991   6.7920  110.160   14.317   91.688   13.709 18.47219 19.82153 
1 1 1   15   17   49 o   97.724   10.015   27.146   5.2192   28.928   8.1552   25.909   6.7925  100.034   15.087   95.414   13.174 4.620255 20.02934 
1 1 1   15   17   50 o  167.964   7.1144   79.596   6.3728   73.874   9.5981   84.107   8.5225  161.978   10.966  173.949   9.0669 -11.97070 14.22876 
1 1 1   15   17   51 f  118.716   9.2599   40.085   5.8278   43.042   9.2992   38.172   7.4787  121.674   14.144  115.758   11.956 5.915833 18.51985 
1 1 1   15   17   52 o  117.718   10.825   44.948   5.9971   27.029   9.1464   58.462   7.9428   91.670   19.085  143.766   10.224 -52.09636 21.65096 
1 1 1   15   17   53 o  225.083   6.6249  143.092   7.9748  124.707   11.545  159.870   11.029  210.446   10.152  239.719   8.5142 -29.27322 13.24989 
1 1 1   15   17   54 o   63.249   14.845   13.019   5.9055   16.188   9.0243   10.645   7.8100   68.732   21.714   57.766   20.248 10.96662 29.68968 
1 1 1   15   17   55 o  176.863   9.8749   89.963   9.4375   0.0000   0.0000   89.963   9.4375  ?   ?   176.863   9.8749      ?      ? 
1 1 1   15   17   56 o   45.889   13.621   4.3438   5.6687   4.7448   8.5909   4.0346   7.5441   47.140   19.835   44.638   18.673 2.502415 27.24117 
1 1 1   15   18    0 o  404.019   8.7416  438.315   17.628  432.616   21.132  451.351   31.963  399.892   9.7792  408.146   14.492 -8.253387 17.48325 
1 1 1   15   18    1 o  623.871   8.4641  1053.23   28.528  1029.28   39.904  1078.27   40.802  616.618   11.976  631.124   11.964 -14.50598 16.92815 
1 1 1   15   18    2 o  438.636   9.3313  545.133   20.464  453.153   34.823  593.651   25.291  408.845   15.762  468.426   9.9918 -59.58087 18.66259 
1 1 1   15   18    3 o  107.171   13.211   32.825   7.2103   20.083   10.159   45.757   10.235   84.394   22.039  129.948   14.576 -45.55367 26.42252 
1 1 1   15   18    7 o  303.592   6.7303  249.121   11.027  253.281   16.064  245.415   15.163  305.979   9.7160  301.206   9.3161 4.773102 13.46067 
1 1 1   15   18    9 o  285.496   7.0114  218.365   10.380  228.153   17.494  213.047   12.895  290.332   11.151  280.661   8.5025 9.670929 14.02276 
1 1 1   15   18   10 o  592.566   9.0495  947.985   25.440  957.658   49.936  944.594   29.564  594.243   15.551  590.888   9.2593 3.354797 18.09899 
1 1 1   15   18   11 o  342.034   6.5567  316.309   12.118   0.0000   0.0000  316.309   12.118  ?   ?   342.034   6.5567      ?      ? 
1 1 1   15   18   12 o  364.183   6.6105  358.620   13.009   0.0000   0.0000  358.620   13.009  ?   ?   364.183   6.6105      ?      ? 
1 1 1   15   18   13 o  604.673   9.4620  989.476   30.917   0.0000   0.0000  989.476   30.917  ?   ?   604.673   9.4620      ?      ? 
1 1 1   15   18   14 o  425.518   9.1071  489.943   20.940   0.0000   0.0000  489.943   20.940  ?   ?   425.518   9.1071      ?      ? 
1 1 1   15   18   15 o  357.632   8.8352  346.075   17.074   0.0000   0.0000  346.075   17.074  ?   ?   357.632   8.8352      ?      ? 
1 1 1   15   18   16 f  479.266   8.5646  621.553   22.180   0.0000   0.0000  621.553   22.180  ?   ?   479.266   8.5646      ?      ? 
1 1 1   15   18   21 o  341.292   9.9707  315.641   18.388   0.0000   0.0000  315.641   18.388  ?   ?   341.292   9.9707      ?      ? 
1 1 1   15   18   22 o  479.003   10.621  622.211   27.490   0.0000   0.0000  622.211   27.490  ?   ?   479.003   10.621      ?      ? 
1 1 1   15   18   23 o  181.209   13.096   89.281   12.823   0.0000   0.0000   89.281   12.823  ?   ?   181.209   13.096      ?      ? 
1 1 1   15   18   25 o  218.302   9.5168  129.167   11.198  121.081   15.193  138.784   16.568  210.874   13.333  225.730   13.583 -14.85666 19.03360 
1 1 1   15   18   26 o  106.248   16.137   32.455   8.9165   32.995   11.799   31.734   13.615  107.622   21.042  104.874   24.472 2.747620 32.27487 
1 1 1   15   18   27 o  419.441   9.3857  479.067   21.228  469.369   28.967  490.315   31.198  414.966   12.918  423.916   13.619 -8.950470 18.77146 
1 1 1   15   18   28 o  389.352   13.245  413.964   27.866   0.0000   0.0000  413.964   27.866  ?   ?   389.352   13.245      ?      ? 
1 1 1   15   18   29 o  199.084   9.8616  106.852   10.507   97.703   13.746  119.707   16.294  189.068   13.455  209.100   14.421 -20.03227 19.72316 
1 1 1   15   18   30 f   44.981   20.395  -5.7230   10.714  -5.7230   10.714   0.0000   0.0000   44.981   20.395  ?   ?       ?      ? 
1 1 1   15   18   31 o  224.933   9.3715  138.012   11.327  134.279   15.147  142.748   17.060  221.624   12.648  228.243   13.832 -6.619598 18.74307 
1 1 1   15   18   32 o  204.315   7.8172  101.687   7.9123  146.374   15.398   85.655   9.2230  231.273   12.322  177.357   9.6236 53.91531 15.63437 
1 1 1   15   18   33 o  437.448   13.214  525.450   31.236  525.450   31.236   0.0000   0.0000  437.448   13.214  ?   ?       ?      ? 
1 1 1   15   18   34 o  219.245   8.3544  130.768   9.8976   0.0000   0.0000  130.768   9.8976  ?   ?   219.245   8.3544      ?      ? 
1 1 1   15   18   35 o  353.708   8.0501  350.210   14.159  322.748   25.061  363.086   17.160  342.297   13.549  365.120   8.6973 -22.82269 16.10027 
1 1 1   15   18   36 o  281.298   8.7946  220.432   12.742  208.739   21.219  227.027   15.935  274.554   14.303  288.041   10.238 -13.48718 17.58913 
1 1 1   15   18   37 f  160.986   11.087   72.757   8.3423   71.464   16.533   73.198   9.6626  158.694   19.280  163.277   10.952 -4.583176 22.17315 
1 1 1   15   18   38 o  187.246   10.287   98.318   9.0062   96.104   17.828   99.077   10.436  184.404   17.891  190.089   10.160 -5.685638 20.57462 
1 1 1   15   18   39 o  243.767   9.6657  162.905   12.732   0.0000   0.0000  162.905   12.732  ?   ?   243.767   9.6657      ?      ? 
1 1 1   15   18   40 o   47.105   13.061   3.6902   5.1600  -3.3051   8.7425   7.4299   6.3921   41.335   18.611   52.876   18.330 -11.54096 26.12229 
1 1 1   15   18   41 o  101.778   10.114   28.213   5.2904   31.883   9.2213   26.412   6.4592  106.062   16.090   97.494   12.261 8.567688 20.22865 
1 1 1   15   18   42 f  116.908   8.9535   37.787   5.3976   39.516   9.1886   36.876   6.6697  118.378   14.364  115.438   10.692 2.939720 17.90701 
1 1 1   15   18   43 o  100.999   9.7040   27.857   5.1101   32.024   8.6440   25.619   6.3358  106.213   15.061   95.785   12.241 10.42751 19.40797 
1 1 1   15   18   44 o  209.862   7.9117  120.788   8.9720   0.0000   0.0000  120.788   8.9720  ?   ?   209.862   7.9117      ?      ? 
1 1 1   15   18   45 o  128.619   8.3364   46.665   5.5871   45.001   9.0956   47.673   7.0804  126.123   13.346  131.115   9.9935 -4.991524 16.67287 
1 1 1   15   18   46 o  166.400   6.8855   77.055   6.0960   75.609   9.4282   78.095   7.9909  164.647   10.597  168.153   8.7944 -3.506149 13.77101 
1 1 1   15   18   47 o  129.927   8.6185   49.298   5.7508   41.034   9.2037   54.590   7.3657  119.674   14.232  140.181   9.7238 -20.50688 17.23693 
1 1 1   15   18   48 o  145.803   7.6112   59.853   5.8658   57.933   9.2146   61.161   7.6060  143.251   11.904  148.355   9.4878 -5.104553 15.22246 
1 1 1   15   18   49 o   57.160   14.033   9.7272   5.2638   8.7572   8.4048   10.353   6.7521   56.068   20.818   58.253   18.823 -2.184902 28.06607 
1 1 1   15   18   50 o   57.655   14.680   9.1482   5.7222   13.818   9.4433   6.4388   7.1931   65.327   22.295   49.983   19.104 15.34421 29.36073 
1 1 1   15   18   51 o   81.266   13.206   22.664   5.9694   12.796   9.3845   29.370   7.7361   62.724   22.177   99.809   14.344 -37.08480 26.41172 
1 1 1   15   18   52 o  101.400   11.562   31.583   6.0178   28.037   9.2031   34.232   7.9538   94.232   18.733  108.568   13.558 -14.33612 23.12475 
1 1 1   15   18   53 o  100.950   11.741   32.560   6.0096   24.984   8.9393   38.808   8.1178   86.928   19.510  114.971   13.067 -28.04256 23.48110 
1 1 1   15   18   54 o   60.546   13.703   11.108   5.8042   21.778   8.6654   2.4254   7.8168   78.531   20.279   42.562   18.435 35.96839 27.40623 
1 1 1   15   18   55 o   47.516   13.826   5.2790   5.7371   7.6578   8.4423   3.2379   7.8203   51.193   20.367   43.839   18.704 7.354191 27.65225 
1 1 1   15   19    0 o  306.904   6.8568  254.969   11.364  244.360   16.082  265.548   16.059  300.515   9.9035  313.292   9.4859 -12.77686 13.71356 
1 1 1   15   19    1 o  299.435   9.8425  238.586   13.242  250.901   28.421  235.171   14.966  304.042   17.299  294.829   9.3940 9.212311 19.68509 
1 1 1   15   19    2 o  510.942   7.7074  706.655   21.274  685.521   29.973  728.112   30.201  503.233   11.022  518.652   10.776 -15.41891 15.41472 
1 1 1   15   19    3 o  617.080   8.4383  1031.05   28.135  1013.75   39.547  1048.77   40.036  611.836   11.962  622.323   11.905 -10.48651 16.87658 
1 1 1   15   19    8 o  292.424   7.3599  228.060   11.291  245.495   18.612  217.906   14.203  301.077   11.440  283.771   9.2627 17.30591 14.71972 
1 1 1   15   19    9 o  199.038   7.3956  109.240   7.5371  100.788   12.641  113.902   9.3886  192.886   12.128  205.190   8.4675 -12.30412 14.79119 
1 1 1   15   19   10 o  310.200   7.6389  260.261   12.804   0.0000   0.0000  260.261   12.804  ?   ?   310.200   7.6389      ?      ? 
1 1 1   15   19   11 o  665.248   8.8280  1197.51   31.735   0.0000   0.0000  1197.51   31.735  ?   ?   665.248   8.8280      ?      ? 
1 1 1   15   19   12 o  660.229   12.713  1181.74   45.355   0.0000   0.0000  1181.74   45.355  ?   ?   660.229   12.713      ?      ? 
1 1 1   15   19   13 o  369.930   10.202  370.640   20.394   0.0000   0.0000  370.640   20.394  ?   ?   369.930   10.202      ?      ? 
1 1 1   15   19   14 o  166.729   8.6108   75.248   7.7579   0.0000   0.0000   75.248   7.7579  ?   ?   166.729   8.6108      ?      ? 
1 1 1   15   19   15 o  183.071   7.8695   90.699   7.7849   0.0000   0.0000   90.699   7.7849  ?   ?   183.071   7.8695      ?      ? 
1 1 1   15   19   16 o  464.410   7.8837  583.701   19.784   0.0000   0.0000  583.701   19.784  ?   ?   464.410   7.8837      ?      ? 
1 1 1   15   19   17 o  368.264   6.5062  366.855   12.947   0.0000   0.0000  366.855   12.947  ?   ?   368.264   6.5062      ?      ? 
1 1 1   15   19   18 o  177.824   7.8557   85.593   7.5486   0.0000   0.0000   85.593   7.5486  ?   ?   177.824   7.8557      ?      ? 
1 1 1   15   19   19 o  293.445   6.4772  232.969   10.271   0.0000   0.0000  232.969   10.271  ?   ?   293.445   6.4772      ?      ? 
1 1 1   15   19   20 o  634.573   11.698  1093.33   40.113   0.0000   0.0000  1093.33   40.113  ?   ?   634.573   11.698      ?      ? 
1 1 1   15   19   21 f  152.310   11.337   62.996   9.3304   0.0000   0.0000   62.996   9.3304  ?   ?   152.310   11.337      ?      ? 
1 1 1   15   19   22 o  184.266   9.7866   92.110   9.7446   0.0000   0.0000   92.110   9.7446  ?   ?   184.266   9.7866      ?      ? 
1 1 1   15   19   23 o  256.110   6.5102  177.560   9.0096   0.0000   0.0000  177.560   9.0096  ?   ?   256.110   6.5102      ?      ? 
1 1 1   15   19   24 f  379.286   6.4986  389.489   13.319   0.0000   0.0000  389.489   13.319  ?   ?   379.286   6.4986      ?      ? 
1 1 1   15   19   25 o   89.639   13.046   18.986   5.4460   32.545   11.354   14.934   6.2065  106.853   20.408   72.424   16.258 34.42889 26.09237 
1 1 1   15   19   26 o  281.397   7.5287  202.307   10.690  252.477   19.716  181.416   12.723  304.334   11.989  258.459   9.1097 45.87494 15.05749 
1 1 1   15   19   27 o  116.756   12.653   38.502   7.4340   36.689   12.281   39.551   9.3397  113.316   20.823  120.196   14.380 -6.880020 25.30580 
1 1 1   15   19   28 o   99.368   12.904   27.138   6.7077   35.524   10.246   20.848   8.8734  113.620   16.689   85.117   19.685 28.50239 25.80715 
1 1 1   15   19   29 o   63.022   17.233   7.9528   7.3797   5.8536   15.715   8.5467   8.3586   67.063   27.390   58.981   20.922 8.081554 34.46611 
1 1 1   15   19   30 o  160.314   12.720   73.648   10.044   65.315   17.829   77.523   12.157  152.503   21.636  168.125   13.382 -15.62233 25.43950 
1 1 1   15   19   31 o   65.966   16.135   9.3649   8.7621 -18.8514   16.637   20.196   10.307   48.820   23.200   83.111   22.431 -34.29042 32.27010 
1 1 1   15   19   32 o  245.552   9.5670  170.521   12.107  148.288   19.611  184.212   15.389  231.512   15.676  259.592   10.971 -28.08023 19.13406 
1 1 1   15   19   33 o  213.253   9.9919  126.386   10.721  122.703   18.827  128.153   13.041  210.117   16.582  216.390   11.153 -6.273575 19.98387 
1 1 1   15   19   34 o  124.441   14.720   41.044   8.5427   52.635   17.245   37.275   9.8342  133.085   24.895  115.797   15.716 17.28844 29.44062 
1 1 1   15   19   35 o   75.805   13.993   15.836   6.4898   28.202   9.5129   5.0698   8.8761   98.530   18.548   53.080   20.957 45.44944 27.98608 
1 1 1   15   19   36 o  188.286   9.0525   96.887   9.2103   0.0000   0.0000   96.887   9.2103  ?   ?   188.286   9.0525      ?      ? 
1 1 1   15   19   37 o  247.980   6.2810  166.805   8.2766  175.223   13.076  161.178   10.691  252.926   9.5675  243.034   8.1404 9.892197 12.56201 
1 1 1   15   19   38 o   79.787   13.538   18.249   5.6355   22.355   9.2304   15.809   7.1157   86.467   20.132   73.106   18.107 13.36032 27.07644 
1 1 1   15   19   39 f  150.120   7.9146   62.353   6.2140   62.091   10.128   62.511   7.8693  149.431   12.542  150.808   9.6566 -1.377487 15.82910 
1 1 1   15   19   40 o  110.446   10.159   35.136   5.7646   31.262   9.4415   37.439   7.2788  104.716   16.685  116.177   11.595 -11.46133 20.31845 
1 1 1   15   19   41 o  108.669   11.280   38.368   5.6487   21.584   9.0739   48.988   7.2178   84.152   20.209  133.186   10.029 -49.03391 22.56063 
1 1 1   15   19   42 o  132.467   10.035   48.499   7.1833   0.0000   0.0000   48.499   7.1833  ?   ?   132.467   10.035      ?      ? 
1 1 1   15   19   43 o  154.583   8.3738   73.264   6.2850   42.299   9.6174   96.345   8.3033  121.906   14.600  187.262   8.2057 -65.35587 16.74769 
1 1 1   15   19   44 o   98.169   11.480   30.929   5.4106   19.602   8.6773   38.134   6.9207   79.429   20.177  116.909   10.955 -37.48038 22.95948 
1 1 1   15   19   45 o   47.026   13.047   2.7073   4.9874   9.5905   8.0668  -1.5519   6.3456   57.991   20.555   36.061   16.074 21.93042 26.09394 
1 1 1   15   19   46 o   65.800   13.880   13.679   5.3173   10.672   8.9534   15.318   6.6091   60.723   21.641   70.878   17.387 -10.15538 27.76084 
1 1 1   15   19   47 o  182.974   6.9045   94.781   6.6617   85.441   10.301  101.495   8.7337  174.390   10.932  191.558   8.4374 -17.16760 13.80904 
1 1 1   15   19   48 o  130.078   11.029   47.676   7.7523   0.0000   0.0000   47.676   7.7523  ?   ?   130.078   11.029      ?      ? 
1 1 1   15   19   49 o  270.378   6.3609  205.203   9.2113  196.103   13.781  212.550   12.384  264.260   9.6510  276.496   8.2885 -12.23572 12.72172 
1 1 1   15   19   50 o   48.980   13.669   5.3338   5.6767  -1.1210   9.2972   9.1706   7.1679   42.924   19.271   55.036   19.390 -12.11164 27.33785 
1 1 1   15   19   51 o  110.396   11.207   38.272   6.0975   28.926   9.5089   44.799   7.9462   95.491   19.095  125.302   11.736 -29.81099 22.41344 
1 1 1   15   19   52 o   63.972   13.828   14.273   5.7147   7.1292   8.8175   19.446   7.5039   51.326   20.678   76.619   18.364 -25.29238 27.65543 
1 1 1   15   19   53 o   77.714   14.136   20.726   5.9417   23.460   9.0009   18.614   7.9102   81.991   20.399   73.437   19.577 8.553741 28.27299 
1 1 1   15   19   54 o   56.086   14.712   10.755   5.9342   9.8495   9.1033   11.423   7.8253   54.760   21.341   57.411   20.256 -2.651356 29.42391 
1 1 1   15   20    0 o  217.806   12.575  141.996   12.384  104.392   23.819  155.926   14.497  195.655   22.529  239.957   11.180 -44.30174 25.15100 
1 1 1   15   20    1 o  187.886   8.7318   96.046   8.8203   85.680   12.552  106.157   12.397  177.798   13.065  197.973   11.588 -20.17551 17.46358 
1 1 1   15   20    2 o  380.161   6.8365  388.860   14.003  357.265   18.981  426.587   20.741  363.318   9.6681  397.005   9.6683 -33.68668 13.67293 
1 1 1   15   20    3 o   73.027   16.452   14.272   7.3138   14.070   10.444   14.467   10.246   72.744   23.399   73.311   23.134 -0.5669098 32.90467 
1 1 1   15   20    4 o  112.933   12.111   34.658   7.3859   33.071   10.391   36.279   10.500  110.307   17.433  115.558   16.815 -5.250633 24.22114 
1 1 1   15   20    5 o  372.877   9.6567  376.366   19.457  376.366   19.457   0.0000   0.0000  372.877   9.6567  ?   ?       ?      ? 
1 1 1   15   20    6 o  422.507   6.9769  483.300   15.922  464.384   22.396  502.629   22.640  414.136   10.008  430.878   9.7237 -16.74185 13.95387 
1 1 1   15   20    7 o  411.496   6.9319  458.103   15.407  441.841   21.440  475.469   22.155  403.950   9.8222  419.043   9.7843 -15.09369 13.86388 
1 1 1   15   20    8 o  252.618   6.7359  171.108   8.5520  177.387   15.335  168.273   10.303  255.851   11.092  249.386   7.6453 6.465240 13.47173 
1 1 1   15   20    9 o  307.531   6.6741  252.522   10.309  265.766   18.573  246.626   12.393  313.155   10.976  301.907   7.5964 11.24756 13.34828 
1 1 1   15   20   10 o  167.258   10.330   75.795   9.3362   0.0000   0.0000   75.795   9.3362  ?   ?   167.258   10.330      ?      ? 
1 1 1   15   20   11 o  205.340   7.5613  114.095   8.3899   0.0000   0.0000  114.095   8.3899  ?   ?   205.340   7.5613      ?      ? 
1 1 1   15   20   12 o  349.750   10.725  331.538   20.269   0.0000   0.0000  331.538   20.269  ?   ?   349.750   10.725      ?      ? 
1 1 1   15   20   13 o  338.673   6.6400  310.283   12.152   0.0000   0.0000  310.283   12.152  ?   ?   338.673   6.6400      ?      ? 
1 1 1   15   20   14 o  546.171   7.7576  807.388   22.895   0.0000   0.0000  807.388   22.895  ?   ?   546.171   7.7576      ?      ? 
1 1 1   15   20   15 o  253.855   7.7714  174.440   10.660   0.0000   0.0000  174.440   10.660  ?   ?   253.855   7.7714      ?      ? 
1 1 1   15   20   16 o  324.351   10.286  285.258   18.029   0.0000   0.0000  285.258   18.029  ?   ?   324.351   10.286      ?      ? 
1 1 1   15   20   17 o  298.506   10.807  241.789   17.432   0.0000   0.0000  241.789   17.432  ?   ?   298.506   10.807      ?      ? 
1 1 1   15   20   18 o  229.368   6.9570  142.418   8.6228   0.0000   0.0000  142.418   8.6228  ?   ?   229.368   6.9570      ?      ? 
1 1 1   15   20   19 o  718.208   13.009  1403.69   50.487   0.0000   0.0000  1403.69   50.487  ?   ?   718.208   13.009      ?      ? 
1 1 1   15   20   20 o  710.791   10.537  1371.86   40.471   0.0000   0.0000  1371.86   40.471  ?   ?   710.791   10.537      ?      ? 
1 1 1   15   20   21 o  403.958   10.344  443.171   22.580   0.0000   0.0000  443.171   22.580  ?   ?   403.958   10.344      ?      ? 
1 1 1   15   20   22 o  167.301   7.9260   75.875   7.1654   0.0000   0.0000   75.875   7.1654  ?   ?   167.301   7.9260      ?      ? 
1 1 1   15   20   23 o  397.567   7.2367  428.383   15.547   0.0000   0.0000  428.383   15.547  ?   ?   397.567   7.2367      ?      ? 
1 1 1   15   20   24 o  115.661   10.703   36.409   6.6896   0.0000   0.0000   36.409   6.6896  ?   ?   115.661   10.703      ?      ? 
1 1 1   15   20   25 o  133.121   9.2623   48.144   6.6627   0.0000   0.0000   48.144   6.6627  ?   ?   133.121   9.2623      ?      ? 
1 1 1   15   20   26 o  169.357   8.8204   77.906   8.0720   0.0000   0.0000   77.906   8.0720  ?   ?   169.357   8.8204      ?      ? 
1 1 1   15   20   27 o  130.934   9.9045   46.667   7.0076   0.0000   0.0000   46.667   7.0076  ?   ?   130.934   9.9045      ?      ? 
1 1 1   15   20   28 o  195.861   13.688  105.315   14.487   0.0000   0.0000  105.315   14.487  ?   ?   195.861   13.688      ?      ? 
1 1 1   15   20   29 o   87.565   17.084   24.578   9.9019  -1.9275   17.773   36.509   11.924   62.589   27.441  112.541   20.357 -49.95173 34.16735 
1 1 1   15   20   30 o  126.438   16.059   44.551   9.6927   49.887   18.397   42.500   11.404  129.208   27.210  123.668   17.065 5.539536 32.11806 
1 1 1   15   20   31 f  196.161   8.2703  102.653   8.6165   91.142   11.014  120.811   13.833  182.485   11.169  209.837   12.200 -27.35248 16.54066 
1 1 1   15   20   32 o  227.187   9.0180  140.766   11.071   0.0000   0.0000  140.766   11.071  ?   ?   227.187   9.0180      ?      ? 
1 1 1   15   20   33 o   49.888   13.965   3.1014   5.9810  -3.1701   8.8405   8.3948   8.1219   42.106   18.856   57.669   20.605 -15.56278 27.93074 
1 1 1   15   20   34 o   58.396   14.848   8.5052   5.9155   9.4383   9.1178   7.8270   7.7736   60.811   21.821   55.981   20.142 4.830158 29.69642 
1 1 1   15   20   35 o  147.738   8.4379   60.950   6.6023   55.933   10.151   64.629   8.6921  142.056   13.224  153.421   10.485 -11.36411 16.87587 
1 1 1   15   20   36 o   67.121   13.806   13.480   5.7954   5.3468   9.0076   19.226   7.5705   53.394   21.102   80.847   17.810 -27.45311 27.61299 
1 1 1   15   20   37 o  110.792   10.938   36.667   6.0193   27.519   9.2984   43.267   7.8974   96.590   18.489  124.994   11.692 -28.40466 21.87566 
1 1 1   15   20   38 o   80.589   13.415   19.691   5.6875   17.698   8.9493   21.040   7.3664   76.450   21.013   84.728   16.683 -8.277740 26.83039 
1 1 1   15   20   39 f   58.411   12.586   3.6608   5.5203   21.691   9.0045  -7.1959   6.9873   84.526   20.022   32.297   15.255 52.22904 25.17135 
1 1 1   15   20   40 o  220.798   6.4950  134.855   7.6264  130.276   11.767  138.171   10.014  217.158   10.028  224.437   8.2574 -7.278412 12.98993 
1 1 1   15   20   41 o  104.127   10.368   29.221   5.6815   39.232   9.3685   23.398   7.1454  117.474   14.758   90.779   14.566 26.69528 20.73625 
1 1 1   15   20   42 o   73.697   13.529   16.845   5.3734   15.305   8.6785   17.802   6.8429   70.356   21.130   77.038   16.902 -6.681236 27.05846 
1 1 1   15   20   43 o  115.206   9.6856   38.970   5.7087   33.261   9.2825   42.443   7.2396  107.121   16.036  123.291   10.867 -16.16974 19.37124 
1 1 1   15   20   44 o  152.226   7.7455   67.017   6.1238   54.296   9.4560   76.207   8.0369  138.490   12.636  165.963   8.9616 -27.47267 15.49106 
1 1 1   15   20   45 o   53.337   14.020   6.0988   5.3510   12.222   8.9402   2.6807   6.6796   63.532   21.693   43.142   17.765 20.39015 28.03917 
1 1 1   15   20   46 o   57.358   13.422   9.6817   5.4095   1.9963   8.5136   14.886   7.0055   45.715   19.511   69.002   18.437 -23.28675 26.84378 
1 1 1   15   20   47 o   69.668   13.901   16.120   5.6853   10.295   9.1757   19.750   7.2432   59.290   21.801   80.046   17.254 -20.75625 27.80214 
1 1 1   15   20   48 o   35.424   11.751  -6.3378   5.4009  -1.6971   8.9702  -8.9768   6.7644   41.532   18.762   29.315   14.156 12.21710 23.50281 
1 1 1   15   20   49 o   63.499   14.704   12.435   5.7789   16.847   9.1445   9.5018   7.4566   70.992   21.769   56.006   19.772 14.98555 29.40784 
1 1 1   15   20   50 o   78.308   13.200   20.446   5.8477   12.153   8.9516   26.620   7.7234   61.778   21.676   94.839   15.071 -33.06165 26.40049 
1 1 1   15   20   51 o   56.318   13.178   9.7263   5.7323  -1.5257   8.7081   18.330   7.6149   39.736   18.159   72.900   19.101 -33.16339 26.35545 
1 1 1   15   20   52 o   50.343   13.385   5.8853   5.8141  -4.2078   8.8513   13.545   7.7109   37.954   17.682   62.732   20.099 -24.77850 26.76939 
1 1 1   15   20   53 o   43.429   13.318   2.6619   5.9055  -0.9505   9.0216   5.3703   7.8117   40.522   18.505   46.335   19.159 -5.813110 26.63627 
1 1 1   15   21    0 o  306.466   9.7077  254.386   16.076   0.0000   0.0000  254.386   16.076  ?   ?   306.466   9.7077      ?      ? 
1 1 1   15   21    1 o  494.991   7.5011  661.096   20.017  621.923   27.202  707.359   29.561  479.082   10.508  510.901   10.708 -31.81982 15.00212 
1 1 1   15   21    2 o  353.893   9.7622  339.231   18.668   0.0000   0.0000  339.231   18.668  ?   ?   353.893   9.7622      ?      ? 
1 1 1   15   21    3 o  389.801   9.6789  411.552   20.387   0.0000   0.0000  411.552   20.387  ?   ?   389.801   9.6789      ?      ? 
1 1 1   15   21    5 o  233.188   7.2397  147.287   9.1140  138.697   12.760  156.234   13.022  226.237   10.438  240.140   10.035 -13.90343 14.47944 
1 1 1   15   21    6 o  223.724   7.2246  135.569   8.7288  134.146   12.110  137.109   12.593  222.511   10.071  224.937   10.361 -2.425842 14.44918 
1 1 1   15   21    7 o  338.216   6.9683  310.852   11.759  307.432   21.121  312.388   14.156  336.685   11.609  339.747   7.7105 -3.061646 13.93658 
1 1 1   15   21    8 o  351.858   6.8611  334.274   11.999  338.288   21.827  332.536   14.364  353.181   11.437  350.534   7.5831 2.646393 13.72224 
1 1 1   15   21    9 o   84.805   16.985   20.284   7.5123   0.0000   0.0000   20.284   7.5123  ?   ?    84.805   16.985      ?      ? 
1 1 1   15   21   10 o  383.198   7.7777  397.484   16.105   0.0000   0.0000  397.484   16.105  ?   ?   383.198   7.7777      ?      ? 
1 1 1   15   21   11 o  190.265   7.8951   98.008   8.1172   0.0000   0.0000   98.008   8.1172  ?   ?   190.265   7.8951      ?      ? 
1 1 1   15   21   12 o  295.973   6.7834  237.063   10.849   0.0000   0.0000  237.063   10.849  ?   ?   295.973   6.7834      ?      ? 
1 1 1   15   21   13 o  139.518   11.090   52.834   8.3610   0.0000   0.0000   52.834   8.3610  ?   ?   139.518   11.090      ?      ? 
1 1 1   15   21   14 o   49.525   18.861   4.7189   6.9954   0.0000   0.0000   4.7189   6.9954  ?   ?    49.525   18.861      ?      ? 
1 1 1   15   21   15 o  359.613   7.3392  350.193   14.262   0.0000   0.0000  350.193   14.262  ?   ?   359.613   7.3392      ?      ? 
1 1 1   15   21   16 o  461.480   11.083  578.502   27.637   0.0000   0.0000  578.502   27.637  ?   ?   461.480   11.083      ?      ? 
1 1 1   15   21   17 f  231.008   7.5356  144.562   9.4066   0.0000   0.0000  144.562   9.4066  ?   ?   231.008   7.5356      ?      ? 
1 1 1   15   21   18 o  278.293   8.5072  209.999   12.793   0.0000   0.0000  209.999   12.793  ?   ?   278.293   8.5072      ?      ? 
1 1 1   15   21   19 o  144.854   11.261   57.079   8.8143   0.0000   0.0000   57.079   8.8143  ?   ?   144.854   11.261      ?      ? 
1 1 1   15   21   20 o  279.827   8.4216  212.460   12.734   0.0000   0.0000  212.460   12.734  ?   ?   279.827   8.4216      ?      ? 
1 1 1   15   21   22 o  199.684   8.8880  108.278   9.5904   0.0000   0.0000  108.278   9.5904  ?   ?   199.684   8.8880      ?      ? 
1 1 1   15   21   24 o  133.544   11.006   48.612   7.9423   0.0000   0.0000   48.612   7.9423  ?   ?   133.544   11.006      ?      ? 
1 1 1   15   21   25 o  223.135   8.1741  135.253   9.8559   0.0000   0.0000  135.253   9.8559  ?   ?   223.135   8.1741      ?      ? 
1 1 1   15   21   26 o  176.331   8.3362   87.207   7.3474   79.144   12.830   91.141   8.9627  169.669   13.993  182.994   9.0639 -13.32465 16.67244 
1 1 1   15   21   27 o  176.309   8.4247   83.510   7.3320   89.099   13.651   81.244   8.6922  179.921   14.041  172.697   9.3145 7.223663 16.84933 
1 1 1   15   21   28 o  103.639   12.547   32.842   5.5995   26.149   11.475   34.933   6.4150   94.189   22.793  113.089   10.498 -18.90001 25.09403 
1 1 1   15   21   29 o  387.554   9.1653  409.425   19.194   0.0000   0.0000  409.425   19.194  ?   ?   387.554   9.1653      ?      ? 
1 1 1   15   21   30 o  297.672   8.8807  258.237   12.689  210.586   22.949  279.217   15.228  275.336   15.425  320.008   8.8062 -44.67203 17.76142 
1 1 1   15   21   31 o  119.699   11.255   41.439   6.8431   30.252   9.8215   51.994   9.5400  102.165   18.470  137.233   12.865 -35.06854 22.50904 
1 1 1   15   21   32 f  152.786   9.6505   63.986   7.8750   60.241   10.264   69.347   12.279  147.627   12.866  157.946   14.387 -10.31946 19.30096 
1 1 1   15   21   33 o  187.257   10.142   96.179   10.262   0.0000   0.0000   96.179   10.262  ?   ?   187.257   10.142      ?      ? 
1 1 1   15   21   34 o   82.508   13.996   20.830   6.3065   14.009   9.3229   26.584   8.5629   69.355   22.087   95.661   17.197 -26.30669 27.99280 
1 1 1   15   21   35 f  139.471   8.8400   53.493   6.6222   59.154   10.063   49.169   8.7947  145.829   12.770  133.113   12.227 12.71628 17.67996 
1 1 1   15   21   36 o  101.352   12.004   30.734   6.1818   23.069   9.2189   36.997   8.3329   87.627   19.921  115.077   13.400 -27.44985 24.00836 
1 1 1   15   21   37 o  143.546   8.4569   57.433   6.4970   56.596   9.8455   58.078   8.6471  142.314   12.803  144.778   11.053 -2.464142 16.91383 
1 1 1   15   21   38 o   73.294   14.364   16.233   5.8304   17.307   9.0143   15.460   7.6448   75.121   21.253   71.467   19.330 3.654335 28.72857 
1 1 1   15   21   39 o   75.311   12.461   14.343   5.7883   31.257   9.1819   3.1889   7.4565  104.394   16.277   46.227   18.872 58.16700 24.92140 
1 1 1   15   21   40 o   71.762   13.919   14.628   5.6939   23.090   9.0479   9.0790   7.3265   86.766   19.743   56.758   19.627 30.00747 27.83878 
1 1 1   15   21   41 o   50.945   13.176   0.9329   5.5659   15.345   9.0074  -7.9698   7.0793   70.224   21.617   31.666   15.072 38.55882 26.35294 
1 1 1   15   21   42 o  117.207   10.240   41.275   6.1162   31.450   9.5758   48.045   7.9488  103.488   17.124  130.925   11.235 -27.43698 20.48060 
1 1 1   15   21   43 o  185.534   7.1602   97.014   7.0307   89.033   10.824  102.839   9.2468  178.215   11.240  192.854   8.8731 -14.63913 14.32046 
1 1 1   15   21   44 o   64.427   14.430   12.885   5.5524   12.848   8.9465   12.909   7.0812   64.400   21.702   64.455   19.023 -0.5561066E-01 28.85954 
1 1 1   15   21   45 o  295.323   8.2596  241.291   13.181   0.0000   0.0000  241.291   13.181  ?   ?   295.323   8.2596      ?      ? 
1 1 1   15   21   46 o   42.294   13.143   0.3670   5.6716  -1.0916   9.3479   1.2168   7.1348   43.310   19.393   41.277   17.745 2.033474 26.28590 
1 1 1   15   21   47 o  123.672   12.024   43.982   8.0356   0.0000   0.0000   43.982   8.0356  ?   ?   123.672   12.024      ?      ? 
1 1 1   15   21   48 o   80.772   13.459   22.037   6.1900   11.937   9.5199   29.434   8.1474   61.726   22.280   99.819   15.105 -38.09283 26.91740 
1 1 1   15   21   49 o   70.110   14.189   16.960   5.9871   10.374   9.3463   21.543   7.7969   58.141   21.881   82.079   18.069 -23.93800 28.37723 
1 1 1   15   21   50 o   73.298   14.140   19.937   5.9785   14.410   9.3405   23.773   7.7811   62.197   22.111   84.399   17.630 -22.20189 28.27902 
1 1 1   15   21   51 o   59.417   14.060   11.929   5.9289   4.0263   9.2579   17.423   7.7197   47.405   20.292   71.429   19.468 -24.02410 28.12020 
1 1 1   15   21   52 o  152.858   8.5148   71.056   6.8582   60.896   10.326   79.073   9.1736  140.932   13.560  164.784   10.302 -23.85170 17.02952 
1 1 1   15   22    0 o  488.092   9.8796  646.700   26.034  670.045   37.819  625.676   35.891  496.424   14.099  479.760   13.844 16.66376 19.75929 
1 1 1   15   22    1 o  341.050   8.5521  315.814   15.757  321.171   22.186  310.360   22.383  343.990   11.936  338.109   12.251 5.880402 17.10410 
1 1 1   15   22    2 o  313.841   8.3770  267.346   14.205  267.117   20.253  267.568   19.927  313.696   11.948  313.985   11.745 -0.2890930 16.75404 
1 1 1   15   22    3 o  539.685   10.452  792.678   30.481  794.144   43.138  791.216   43.076  540.184   14.778  539.186   14.785 0.9984131 20.90432 
1 1 1   15   22    4 o   75.883   14.980   12.333   7.6970  -2.0158   10.284   30.608   11.606   47.985   20.960  103.780   21.406 -55.79514 29.95910 
1 1 1   15   22    5 o  373.268   8.5944  377.966   17.320  368.018   23.902  388.964   25.133  368.125   12.016  378.411   12.291 -10.28638 17.18878 
1 1 1   15   22    6 o  155.645   10.244   64.986   8.5399   54.640   11.378   78.333   12.924  141.635   14.866  169.654   14.097 -28.01981 20.48750 
1 1 1   15   22    7 o  230.859   8.2160  144.844   10.214  160.631   14.588  129.662   14.305  243.260   11.097  218.458   12.118 24.80173 16.43193 
1 1 1   15   22    8 o  381.323   8.4447  394.591   17.390  412.838   25.082  377.703   24.131  389.807   11.908  372.839   11.977 16.96848 16.88941 
1 1 1   15   22   10 o  215.039   10.084  125.474   11.718   0.0000   0.0000  125.474   11.718  ?   ?   215.039   10.084      ?      ? 
1 1 1   15   22   14 o  216.134   9.5671  126.791   11.174   0.0000   0.0000  126.791   11.174  ?   ?   216.134   9.5671      ?      ? 
1 1 1   15   22   17 o  230.846   8.6295  144.651   10.765   0.0000   0.0000  144.651   10.765  ?   ?   230.846   8.6295      ?      ? 
1 1 1   15   22   18 o  338.925   7.9058  311.604   14.479   0.0000   0.0000  311.604   14.479  ?   ?   338.925   7.9058      ?      ? 
1 1 1   15   22   19 o  468.147   9.6411  595.683   24.389   0.0000   0.0000  595.683   24.389  ?   ?   468.147   9.6411      ?      ? 
1 1 1   15   22   20 o   41.569   17.397   0.9560   6.5527   0.0000   0.0000   0.9560   6.5527  ?   ?    41.569   17.397      ?      ? 
1 1 1   15   22   21 o  192.765   7.6099  100.823   7.9267   0.0000   0.0000  100.823   7.9267  ?   ?   192.765   7.6099      ?      ? 
1 1 1   15   22   22 o  373.788   6.7180  378.870   13.569   0.0000   0.0000  378.870   13.569  ?   ?   373.788   6.7180      ?      ? 
1 1 1   15   22   23 o  321.936   6.4956  281.070   11.300   0.0000   0.0000  281.070   11.300  ?   ?   321.936   6.4956      ?      ? 
1 1 1   15   22   24 o  301.496   6.9036  246.695   11.247   0.0000   0.0000  246.695   11.247  ?   ?   301.496   6.9036      ?      ? 
1 1 1   15   22   25 o  144.943   12.045   57.566   9.4337   0.0000   0.0000   57.566   9.4337  ?   ?   144.943   12.045      ?      ? 
1 1 1   15   22   26 o  161.316   8.2009   70.795   7.1487   0.0000   0.0000   70.795   7.1487  ?   ?   161.316   8.2009      ?      ? 
1 1 1   15   22   27 o  170.477   8.2508   84.559   6.4082   70.450   12.637   89.442   7.4350  159.587   14.654  181.367   7.5864 -21.78033 16.50159 
1 1 1   15   22   28 o  115.759   10.773   35.999   5.6066   39.572   12.091   35.020   6.3280  118.421   18.895  113.097   10.355 5.324409 21.54629 
1 1 1   15   22   29 o   93.887   12.834   24.410   5.3825   27.072   11.441   23.653   6.0996   95.131   22.592   92.644   12.184 2.486961 25.66858 
1 1 1   15   22   30 o  205.869   7.4645  117.418   8.2116  106.616   12.188  126.398   11.113  196.830   11.459  214.907   9.5693 -18.07690 14.92902 
1 1 1   15   22   31 o  255.931   9.5522  193.011   11.310  158.941   21.668  205.768   13.259  237.531   16.881  274.332   8.9444 -36.80055 19.10430 
1 1 1   15   22   32 o   65.629   16.498   11.661   7.4880   14.665   9.4361   6.5541   12.305   70.661   22.188   60.597   24.423 10.06397 32.99646 
1 1 1   15   22   33 o   50.634   15.162   0.7625   7.2041  -3.1392   9.4453   6.1892   11.139   43.267   19.425   58.001   23.286 -14.73409 30.32407 
1 1 1   15   22   34 o  341.896   8.9354  320.607   16.508   0.0000   0.0000  320.607   16.508  ?   ?   341.896   8.9354      ?      ? 
1 1 1   15   22   36 o  259.041   8.6790  184.335   12.149   0.0000   0.0000  184.335   12.149  ?   ?   259.041   8.6790      ?      ? 
1 1 1   15   22   37 o  285.152   8.6400  223.459   13.313   0.0000   0.0000  223.459   13.313  ?   ?   285.152   8.6400      ?      ? 
1 1 1   15   22   38 o  292.326   8.5714  235.144   13.540   0.0000   0.0000  235.144   13.540  ?   ?   292.326   8.5714      ?      ? 
1 1 1   15   22   39 o  137.577   11.743   53.044   8.7300   0.0000   0.0000   53.044   8.7300  ?   ?   137.577   11.743      ?      ? 
1 1 1   15   22   40 o   69.441   11.789   13.830   6.0822  -6.1153   9.3426   28.500   8.0127   39.345   18.275   99.536   14.897 -60.19065 23.57783 
1 1 1   15   22   41 o   60.999   14.071   11.212   5.7382   4.6975   9.0025   15.670   7.4471   50.873   20.748   71.125   19.011 -20.25240 28.14122 
1 1 1   15   22   42 o   47.500   13.841   3.6061   5.7139   3.3206   8.6120   3.8307   7.6370   48.050   20.012   46.951   19.125 1.099613 27.68149 
1 1 1   15   22   43 o   45.225   13.537   2.3563   5.6816  -0.0393   9.2040   3.8311   7.2218   44.612   19.649   45.838   18.627 -1.225857 27.07423 
1 1 1   15   22   44 o  167.935   7.7618   79.288   6.9240   81.116   10.873   78.041   8.9803  168.926   11.911  166.945   9.9548 1.981049 15.52357 
1 1 1   15   22   45 o   92.363   13.053   26.769   6.1676   29.017   9.8762   25.331   7.8967   94.396   19.984   90.330   16.796 4.066452 26.10544 
1 1 1   15   22   46 o   81.466   14.369   22.499   6.3180   17.943   10.187   25.347   8.0541   72.525   23.087   90.407   17.113 -17.88195 28.73830 
1 1 1   15   22   47 o   67.229   14.287   12.962   6.1535   24.285   9.5217   4.8408   8.0637   86.074   20.721   48.383   19.674 37.69074 28.57306 
1 1 1   15   22   48 f   48.305   14.029   5.6156   5.9498   2.9298   9.1235   7.6030   7.8482   45.709   19.857   50.900   19.822 -5.191746 28.05711 
1 1 1   15   22   49 o  125.930   9.7469   48.676   6.4531   41.414   9.7365   54.365   8.6176  115.566   15.591  136.294   11.701 -20.72792 19.49371 
1 1 1   15   22   50 o   84.580   13.702   24.616   6.0919   24.106   9.2608   25.005   8.0883   82.321   20.808   86.840   17.834 -4.518288 27.40455 
1 1 1   15   23    0 o  261.112   10.026  185.012   14.146   0.0000   0.0000  185.012   14.146  ?   ?   261.112   10.026      ?      ? 
1 1 1   15   23    1 o   72.762   15.557   13.019   7.4872   2.2402   10.471   24.296   10.710   53.449   22.148   92.076   21.853 -38.62654 31.11406 
1 1 1   15   23    2 o  248.827   10.257  168.059   13.791   0.0000   0.0000  168.059   13.791  ?   ?   248.827   10.257      ?      ? 
1 1 1   15   23    4 o  405.043   7.1336  445.916   15.591  423.777   22.227  467.363   21.876  395.071   10.411  415.015   9.7549 -19.94363 14.26728 
1 1 1   15   23    5 o  112.364   12.788   35.395   7.5119   30.445   10.733   40.147   10.517  103.548   19.906  121.179   16.061 -17.63160 25.57696 
1 1 1   15   23    6 o   66.888   13.500   7.6497   6.1029   25.113   9.9963  -2.7268   7.7056   93.758   20.317   40.018   17.783 53.74007 27.00083 
1 1 1   15   23    7 o  602.970   9.2093  1009.65   27.248  943.468   49.589  1038.27   32.612  587.461   15.621  618.479   9.7581 -31.01776 18.41865 
1 1 1   15   23    8 o  251.864   9.0573  172.097   12.327   0.0000   0.0000  172.097   12.327  ?   ?   251.864   9.0573      ?      ? 
1 1 1   15   23    9 o  263.196   7.3142  187.686   10.402   0.0000   0.0000  187.686   10.402  ?   ?   263.196   7.3142      ?      ? 
1 1 1   15   23   10 o  142.200   12.372   55.095   9.5065   0.0000   0.0000   55.095   9.5065  ?   ?   142.200   12.372      ?      ? 
1 1 1   15   23   11 o  223.621   7.6387  135.571   9.2304   0.0000   0.0000  135.571   9.2304  ?   ?   223.621   7.6387      ?      ? 
1 1 1   15   23   12 o  202.499   14.946  112.322   16.355   0.0000   0.0000  112.322   16.355  ?   ?   202.499   14.946      ?      ? 
1 1 1   15   23   13 f  300.088   8.4945  244.429   13.774   0.0000   0.0000  244.429   13.774  ?   ?   300.088   8.4945      ?      ? 
1 1 1   15   23   14 o  596.165   12.275  969.528   39.544   0.0000   0.0000  969.528   39.544  ?   ?   596.165   12.275      ?      ? 
1 1 1   15   23   15 o  240.547   7.1217  156.848   9.2570   0.0000   0.0000  156.848   9.2570  ?   ?   240.547   7.1217      ?      ? 
1 1 1   15   23   16 o  291.306   6.8374  229.995   10.763   0.0000   0.0000  229.995   10.763  ?   ?   291.306   6.8374      ?      ? 
1 1 1   15   23   17 o   98.151   13.078   26.349   6.9362   0.0000   0.0000   26.349   6.9362  ?   ?    98.151   13.078      ?      ? 
1 1 1   15   23   18 o  241.879   7.0417  158.681   9.2038   0.0000   0.0000  158.681   9.2038  ?   ?   241.879   7.0417      ?      ? 
1 1 1   15   23   19 o  452.447   9.4989  557.297   23.224   0.0000   0.0000  557.297   23.224  ?   ?   452.447   9.4989      ?      ? 
1 1 1   15   23   20 o  207.645   7.4083  117.071   8.3125   0.0000   0.0000  117.071   8.3125  ?   ?   207.645   7.4083      ?      ? 
1 1 1   15   23   21 o  151.612   8.8720   62.567   7.2684   0.0000   0.0000   62.567   7.2684  ?   ?   151.612   8.8720      ?      ? 
1 1 1   15   23   22 o  118.576   10.544   38.402   6.7562   0.0000   0.0000   38.402   6.7562  ?   ?   118.576   10.544      ?      ? 
1 1 1   15   23   23 o   93.718   12.842   24.131   6.5037   0.0000   0.0000   24.131   6.5037  ?   ?    93.718   12.842      ?      ? 
1 1 1   15   23   24 o  118.562   10.444   38.433   6.6910   0.0000   0.0000   38.433   6.6910  ?   ?   118.562   10.444      ?      ? 
1 1 1   15   23   25 o  142.155   8.8840   55.119   6.8243   0.0000   0.0000   55.119   6.8243  ?   ?   142.155   8.8840      ?      ? 
1 1 1   15   23   26 o  112.091   10.545   34.445   6.3871   0.0000   0.0000   34.445   6.3871  ?   ?   112.091   10.545      ?      ? 
1 1 1   15   23   27 o  161.550   8.0174   71.141   6.9988   0.0000   0.0000   71.141   6.9988  ?   ?   161.550   8.0174      ?      ? 
1 1 1   15   23   28 o  345.486   7.4814  318.047   12.714  351.351   23.995  305.047   14.991  356.626   12.451  334.346   8.2976 22.27972 14.96280 
1 1 1   15   23   29 o   53.247   14.243   6.5936   5.3105   1.3912   11.000   8.1746   6.0640   52.062   22.197   54.433   17.854 -2.371006 28.48640 
1 1 1   15   23   30 o   81.360   14.221   19.453   5.4836   18.680   11.931   19.660   6.1744   78.741   24.977   83.980   13.606 -5.238800 28.44259 
1 1 1   15   23   31 o  195.736   12.426  129.323   10.342   72.230   19.329  152.227   12.242  156.112   22.913  235.360   9.6258 -79.24835 24.85249 
1 1 1   15   23   32 o  245.397   10.640  192.380   11.764  122.973   21.399  222.444   14.084  206.148   19.210  284.646   9.1563 -78.49847 21.28033 
1 1 1   15   23   33 o  273.467   12.400  208.626   18.324   0.0000   0.0000  208.626   18.324  ?   ?   273.467   12.400      ?      ? 
1 1 1   15   23   34 o  116.480   11.197   38.638   7.0264   42.816   10.144   34.786   9.7418  122.728   15.296  110.233   16.355 12.49554 22.39306 
1 1 1   15   23   35 o  246.014   9.4155  166.866   12.517   0.0000   0.0000  166.866   12.517  ?   ?   246.014   9.4155      ?      ? 
1 1 1   15   23   36 o  140.284   9.2528   55.318   7.0008   57.685   10.290   53.278   9.5523  142.966   13.320  137.602   12.847 5.364792 18.50569 
1 1 1   15   23   37 o  195.982   7.4103  106.872   7.8167  106.495   11.561  107.189   10.609  195.407   10.949  196.558   9.9887 -1.151260 14.82061 
1 1 1   15   23   38 o  174.455   10.228   84.718   9.6417   0.0000   0.0000   84.718   9.6417  ?   ?   174.455   10.228      ?      ? 
1 1 1   15   23   39 o   73.867   14.895   17.388   6.2247   15.731   9.7442   18.530   8.0907   70.567   22.592   77.168   19.418 -6.600159 29.79060 
1 1 1   15   23   40 o  203.532   7.2069  116.289   7.8432  108.565   11.721  122.552   10.554  196.839   11.020  210.224   9.2909 -13.38493 14.41387 
1 1 1   15   23   41 o   41.243   13.134  -1.9900   6.0324  -2.0488   9.6099  -1.9518   7.7494   43.365   19.520   39.121   17.577 4.244667 26.26734 
1 1 1   15   23   42 o   75.299   14.724   18.620   6.3443   14.032   9.4759   22.348   8.5412   66.362   22.335   84.236   19.193 -17.87405 29.44843 
1 1 1   15   23   43 o   62.231   15.430   12.402   6.3726   12.553   9.7826   12.291   8.3993   62.615   22.587   61.847   21.027 0.7677689 30.85983 
1 1 1   15   23   44 f   42.113   13.258  -0.7560   6.0072   1.5520   9.2975  -2.4099   7.8706   45.863   19.984   38.363   17.427 7.500103 26.51559 
1 1 1   15   23   45 o  113.321   10.968   37.605   6.6137   40.954   10.445   35.364   8.5448  116.774   16.553  109.867   14.393 6.906769 21.93533 
1 1 1   15   23   46 o   50.865   12.986   3.6511   6.1455 -13.9403   9.6729   15.558   7.9581   33.515   16.353   68.216   20.176 -34.70092 25.97124 
1 1 1   15   23   47 o  165.194   8.3637   82.400   7.2617   67.125   10.771   95.129   9.8324  148.829   13.393  181.559   10.022 -32.73048 16.72750 
1 1 1   15   23   48 o   46.218   13.817   4.0497   5.9165   4.0072   8.8675   4.0837   7.9431   46.847   19.951   45.589   19.121 1.258282 27.63436 
1 1 1   15   23   49 o   94.728   12.638   31.169   6.1126   23.872   9.3664   36.582   8.0673   80.233   21.262  109.223   13.669 -28.99014 25.27665 
1 1 1   15   24    0 o  288.260   6.9942  225.690   10.878  227.732   15.857  223.875   14.951  289.449   10.138  287.071   9.6380 2.378265 13.98840 
1 1 1   15   24    2 o  204.823   8.1436  114.255   9.0072  114.289   12.980  114.224   12.509  204.822   11.728  204.824   11.302 -0.2090454E-02 16.28726 
1 1 1   15   24    3 o  308.525   9.8870  258.724   16.483   0.0000   0.0000  258.724   16.483  ?   ?   308.525   9.8870      ?      ? 
1 1 1   15   24    4 o  321.486   6.9173  280.814   12.014  273.289   16.831  288.633   17.155  317.088   9.8228  325.884   9.7420 -8.795898 13.83458 
1 1 1   15   24    5 o  218.371   10.962  129.820   12.935   0.0000   0.0000  129.820   12.935  ?   ?   218.371   10.962      ?      ? 
1 1 1   15   24    6 o  302.669   6.8425  249.193   10.462  248.423   18.395  249.561   12.720  302.001   11.272  303.336   7.7605 -1.334808 13.68501 
1 1 1   15   24    7 o  186.722   7.5648   95.350   7.2820   93.333   12.229   96.458   9.0640  184.975   12.235  188.469   8.9001 -3.493317 15.12966 
1 1 1   15   24    8 o  227.770   7.4466  140.666   9.1652   0.0000   0.0000  140.666   9.1652  ?   ?   227.770   7.4466      ?      ? 
1 1 1   15   24    9 o  410.549   9.0546  457.802   20.087   0.0000   0.0000  457.802   20.087  ?   ?   410.549   9.0546      ?      ? 
1 1 1   15   24   10 o  301.278   7.0498  246.043   11.477   0.0000   0.0000  246.043   11.477  ?   ?   301.278   7.0498      ?      ? 
1 1 1   15   24   11 o  305.727   7.7045  253.559   12.728   0.0000   0.0000  253.559   12.728  ?   ?   305.727   7.7045      ?      ? 
1 1 1   15   24   12 o  254.581   7.2972  175.779   10.039   0.0000   0.0000  175.779   10.039  ?   ?   254.581   7.2972      ?      ? 
1 1 1   15   24   13 o  344.539   8.6832  322.562   16.166   0.0000   0.0000  322.562   16.166  ?   ?   344.539   8.6832      ?      ? 
1 1 1   15   24   14 o  324.334   8.5161  285.879   14.925   0.0000   0.0000  285.879   14.925  ?   ?   324.334   8.5161      ?      ? 
1 1 1   15   24   15 o  295.645   11.706  238.942   18.701   0.0000   0.0000  238.942   18.701  ?   ?   295.645   11.706      ?      ? 
1 1 1   15   24   16 o  323.796   8.4571  285.109   14.797   0.0000   0.0000  285.109   14.797  ?   ?   323.796   8.4571      ?      ? 
1 1 1   15   24   17 o  497.371   11.444  676.620   30.758   0.0000   0.0000  676.620   30.758  ?   ?   497.371   11.444      ?      ? 
1 1 1   15   24   18 o  126.154   10.726   43.479   7.3121   0.0000   0.0000   43.479   7.3121  ?   ?   126.154   10.726      ?      ? 
1 1 1   15   24   19 o  213.463   7.4861  123.806   8.6351   0.0000   0.0000  123.806   8.6351  ?   ?   213.463   7.4861      ?      ? 
1 1 1   15   24   20 o  104.567   12.438   30.022   7.0278   0.0000   0.0000   30.022   7.0278  ?   ?   104.567   12.438      ?      ? 
1 1 1   15   24   21 f   37.731   16.602  -1.4773   6.5573   0.0000   0.0000  -1.4773   6.5573  ?   ?    37.731   16.602      ?      ? 
1 1 1   15   24   22 o  140.136   9.4274   53.641   7.1389   0.0000   0.0000   53.641   7.1389  ?   ?   140.136   9.4274      ?      ? 
1 1 1   15   24   23 o  212.458   13.088  124.725   15.026   0.0000   0.0000  124.725   15.026  ?   ?   212.458   13.088      ?      ? 
1 1 1   15   24   24 o  261.303   6.7709  185.648   9.5605   0.0000   0.0000  185.648   9.5605  ?   ?   261.303   6.7709      ?      ? 
1 1 1   15   24   25 o  184.627   14.320   94.820   14.287   0.0000   0.0000   94.820   14.287  ?   ?   184.627   14.320      ?      ? 
1 1 1   15   24   26 o   90.604   13.133   22.762   6.4297   0.0000   0.0000   22.762   6.4297  ?   ?    90.604   13.133      ?      ? 
1 1 1   15   24   27 o   93.583   12.057   24.233   6.0973   0.0000   0.0000   24.233   6.0973  ?   ?    93.583   12.057      ?      ? 
1 1 1   15   24   28 o  107.552   10.566   31.885   6.1409   0.0000   0.0000   31.885   6.1409  ?   ?   107.552   10.566      ?      ? 
1 1 1   15   24   29 o  106.858   11.426   28.873   5.6470   39.595   12.224   25.964   6.3672  117.024   19.330   96.691   12.186 20.33346 22.85115 
1 1 1   15   24   30 o  140.630   9.6487   57.910   6.0751   50.721   12.388   60.187   6.9709  133.126   17.221  148.134   8.7085 -15.00832 19.29733 
1 1 1   15   24   31 o  161.005   15.423   73.671   13.418   73.671   13.418   0.0000   0.0000  161.005   15.423  ?   ?       ?      ? 
1 1 1   15   24   32 o   69.807   17.839   14.273   8.2349   5.7297   17.894   16.569   9.2754   66.094   28.249   73.520   21.791 -7.426926 35.67702 
1 1 1   15   24   33 o   62.649   16.110   5.4650   7.7873  -4.3675   9.8501   21.854   12.717   42.586   19.404   82.712   25.723 -40.12547 32.22067 
1 1 1   15   24   34 o  145.205   10.920   58.895   8.3954   53.162   10.668   68.221   13.607  136.682   14.444  153.727   16.380 -17.04510 21.83901 
1 1 1   15   24   35 f   58.075   14.841   8.0096   6.5957   0.0012   9.5962   15.181   9.0808   46.217   20.216   69.932   21.734 -23.71421 29.68286 
1 1 1   15   24   36 o   95.738   13.771   28.667   6.9429   21.687   10.225   34.639   9.4576   82.258   22.399  109.217   16.025 -26.95872 27.54128 
1 1 1   15   24   37 o  111.814   11.847   37.481   6.8498   32.200   10.117   41.951   9.3076  102.632   18.940  120.997   14.236 -18.36459 23.69365 
1 1 1   15   24   38 o   33.819   11.508 -11.2040   6.1898 -14.3726   9.4544  -8.8271   8.1887   33.602   16.344   34.036   16.203 -0.4344521 23.01506 
1 1 1   15   24   39 o  103.606   12.355   32.526   6.6784   31.066   10.046   33.682   8.9398   99.849   19.318  107.364   15.409 -7.514359 24.71086 
1 1 1   15   24   40 o  221.436   9.4628  136.681   11.323   0.0000   0.0000  136.681   11.323  ?   ?   221.436   9.4628      ?      ? 
1 1 1   15   24   41 o   53.436   13.990   5.5792   6.3528  -5.4443   9.3080   15.192   8.6922   38.988   18.153   67.885   21.292 -28.89639 27.97986 
1 1 1   15   24   42 o   75.732   14.273   19.377   6.5401   9.3851   9.5271   28.283   8.9942   56.948   21.933   94.516   18.271 -37.56738 28.54613 
1 1 1   15   24   43 o   57.284   15.158   9.3077   6.5554   4.8820   9.6753   13.064   8.9129   50.926   21.211   63.642   21.660 -12.71600 30.31644 
1 1 1   15   24   44 o  125.168   11.955   50.771   7.1528   30.756   10.567   67.696   9.7174   96.615   20.852  153.720   11.699 -57.10429 23.90954 
1 1 1   15   24   45 o  124.765   10.400   47.249   6.9473   54.536   10.745   42.014   9.1070  132.580   14.998  116.951   14.411 15.62925 20.79933 
1 1 1   15   24   46 o  168.446   8.3427   84.109   7.4279   74.507   11.272   91.480   9.8755  158.248   13.181  178.643   10.230 -20.39476 16.68545 
1 1 1   15   24   47 o   37.922   12.428  -3.0680   6.0925  -6.5219   9.4950  -0.6507   7.9433   36.889   17.529   38.956   17.621 -2.067474 24.85505 
1 1 1   15   25    0 f   68.874   16.407   12.374   7.2795   9.7906   10.048   15.228   10.561   63.704   22.902   74.045   23.500 -10.34152 32.81401 
1 1 1   15   25    1 o  141.159   10.352   54.653   7.8942   55.418   11.102   53.871   11.227  142.186   14.450  140.133   14.826 2.052551 20.70310 
1 1 1   15   25    2 o  160.737   9.3796   70.685   8.1402   67.067   11.457   74.373   11.568  156.541   13.544  164.933   12.980 -8.392014 18.75920 
1 1 1   15   25    4 f  133.904   10.609   49.647   7.6000   56.655   10.637   42.339   10.862  143.820   13.687  123.989   16.213 19.83131 21.21774 
1 1 1   15   25    5 o  145.082   8.9644   57.222   6.8027   58.896   11.185   56.240   8.5700  146.547   14.124  143.617   11.043 2.929825 17.92888 
1 1 1   15   25    6 o   42.516   13.276  -1.9767   5.8171  -2.9504   9.5476  -1.4018   7.3360   44.648   19.820   40.384   17.670 4.263985 26.55284 
1 1 1   15   25    7 o   57.040   19.196   8.5444   6.9991   0.0000   0.0000   8.5444   6.9991  ?   ?    57.040   19.196      ?      ? 
1 1 1   15   25    8 o  134.844   10.981   49.621   8.0014   0.0000   0.0000   49.621   8.0014  ?   ?   134.844   10.981      ?      ? 
1 1 1   15   25    9 o  446.184   9.5330  542.115   22.984   0.0000   0.0000  542.115   22.984  ?   ?   446.184   9.5330      ?      ? 
1 1 1   15   25   10 o   46.971   18.866   3.1184   7.3149   0.0000   0.0000   3.1184   7.3149  ?   ?    46.971   18.866      ?      ? 
1 1 1   15   25   11 o  332.068   8.6120  299.971   15.453   0.0000   0.0000  299.971   15.453  ?   ?   332.068   8.6120      ?      ? 
1 1 1   15   25   12 o  338.691   11.646  313.908   21.313   0.0000   0.0000  313.908   21.313  ?   ?   338.691   11.646      ?      ? 
1 1 1   15   25   13 o  168.051   8.9648   76.895   8.1409   0.0000   0.0000   76.895   8.1409  ?   ?   168.051   8.9648      ?      ? 
1 1 1   15   25   14 o   44.594   17.998   2.6654   6.6929   0.0000   0.0000   2.6654   6.6929  ?   ?    44.594   17.998      ?      ? 
1 1 1   15   25   15 f  129.159   10.680   45.598   7.4537   0.0000   0.0000   45.598   7.4537  ?   ?   129.159   10.680      ?      ? 
1 1 1   15   25   16 o  372.481   10.998  379.683   22.136   0.0000   0.0000  379.683   22.136  ?   ?   372.481   10.998      ?      ? 
1 1 1   15   25   17 o  159.976   9.0431   69.784   7.8173   0.0000   0.0000   69.784   7.8173  ?   ?   159.976   9.0431      ?      ? 
1 1 1   15   25   18 o  168.332   8.6023   77.249   7.8247   0.0000   0.0000   77.249   7.8247  ?   ?   168.332   8.6023      ?      ? 
1 1 1   15   25   19 o  146.488   9.3462   58.638   7.3982   0.0000   0.0000   58.638   7.3982  ?   ?   146.488   9.3462      ?      ? 
1 1 1   15   25   20 o  204.311   10.167  114.369   11.224   0.0000   0.0000  114.369   11.224  ?   ?   204.311   10.167      ?      ? 
1 1 1   15   25   21 o  155.955   9.1612   66.490   7.7204   0.0000   0.0000   66.490   7.7204  ?   ?   155.955   9.1612      ?      ? 
1 1 1   15   25   22 o  298.740   11.642  245.903   18.794   0.0000   0.0000  245.903   18.794  ?   ?   298.740   11.642      ?      ? 
1 1 1   15   25   23 o  118.515   10.938   38.651   7.0048   0.0000   0.0000   38.651   7.0048  ?   ?   118.515   10.938      ?      ? 
1 1 1   15   25   24 o   88.394   13.580   21.762   6.4865   0.0000   0.0000   21.762   6.4865  ?   ?    88.394   13.580      ?      ? 
1 1 1   15   25   25 o   31.768   14.765  -4.9731   6.1133   0.0000   0.0000  -4.9731   6.1133  ?   ?    31.768   14.765      ?      ? 
1 1 1   15   25   26 o  162.681   11.395   73.239   10.017   0.0000   0.0000   73.239   10.017  ?   ?   162.681   11.395      ?      ? 
1 1 1   15   25   27 o  110.719   10.744   33.871   6.4280   0.0000   0.0000   33.871   6.4280  ?   ?   110.719   10.744      ?      ? 
1 1 1   15   25   28 o   45.875   17.364   4.6995   5.9062   0.0000   0.0000   4.6995   5.9062  ?   ?    45.875   17.364      ?      ? 
1 1 1   15   25   29 o   54.423   12.572   8.0144   5.2745  -8.0023   10.045   14.111   6.1976   40.002   18.703   68.845   16.806 -28.84331 25.14449 
1 1 1   15   25   30 o  129.227   10.831   50.714   6.1845   41.532   12.533   53.670   7.1106  118.924   19.502  139.530   9.4308 -20.60599 21.66279 
1 1 1   15   25   31 o   98.845   12.908   27.553   5.9358   32.185   11.836   25.996   6.8609  101.637   22.175   96.053   13.219 5.583939 25.81584 
1 1 1   15   25   32 o  121.730   15.287   42.490   10.055   0.0000   0.0000   42.490   10.055  ?   ?   121.730   15.287      ?      ? 
1 1 1   15   25   33 o  108.702   17.291   43.872   9.2533   24.775   18.757   50.015   10.638   85.364   31.202  132.040   14.910 -46.67574 34.58130 
1 1 1   15   25   34 o   98.497   16.357   31.659   8.3543   32.890   10.472   29.504   13.856  103.487   19.440   93.507   26.312 9.980576 32.71484 
1 1 1   15   25   35 o  143.808   9.7335   59.222   7.5311   54.061   10.765   64.169   10.540  137.219   14.518  150.397   12.969 -13.17825 19.46709 
1 1 1   15   25   36 o   98.383   13.692   30.105   7.0830   21.307   10.018   38.900   10.016   81.299   22.185  115.466   16.052 -34.16614 27.38367 
1 1 1   15   25   37 o  172.227   8.3982   84.419   7.7683   79.708   11.412   88.487   10.604  167.204   12.631  177.250   11.071 -10.04561 16.79636 
1 1 1   15   25   38 o   66.696   14.377   12.039   6.7086   24.989   9.7755   0.5104   9.2234   88.155   20.849   45.238   19.803 42.91651 28.75428 
1 1 1   15   25   39 f  173.690   8.4028   86.419   7.8517   76.975   11.032   96.112   11.177  163.561   12.483  183.819   11.252 -20.25861 16.80568 
1 1 1   15   25   40 o   49.690   14.343   2.5211   6.6962   11.887   9.6977  -6.0132   9.2573   61.183   22.425   38.196   17.889 22.98719 28.68597 
1 1 1   15   25   41 o   34.850   11.758 -13.2774   6.6150 -26.8227   9.8182  -2.0172   8.9518   28.280   14.228   41.421   18.724 -13.14107 23.51627 
1 1 1   15   25   42 o   84.229   15.025   23.765   6.8449   21.994   10.131   25.253   9.2847   80.326   22.463   88.132   19.959 -7.806236 30.04909 
1 1 1   15   25   43 o  194.733   10.648  109.785   11.204   0.0000   0.0000  109.785   11.204  ?   ?   194.733   10.648      ?      ? 
1 1 1   15   25   44 o   56.241   14.962   9.4137   6.7786   1.5664   9.8382   16.506   9.3529   45.201   20.090   67.282   22.178 -22.08084 29.92437 
1 1 1   15   25   45 f  139.678   9.7785   59.516   7.2688   49.669   10.399   68.921   10.164  126.738   15.185  152.617   12.324 -25.87898 19.55693 
1 1 1   15   25   46 o   97.602   13.140   33.060   6.6752   28.429   9.9473   36.854   9.0034   87.651   21.228  107.554   15.491 -19.90377 26.27909 
1 1 1   15   26    0 o  140.142   10.316   54.073   7.8059   51.125   10.878   57.204   11.208  136.170   14.783  144.114   14.392 -7.943863 20.63211 
1 1 1   15   26    1 o  128.321   11.790   46.080   7.6866   31.770   10.428   63.103   11.374  105.186   19.049  151.456   13.897 -46.26952 23.57952 
1 1 1   15   26    2 o  162.211   9.4066   72.776   8.1705   83.061   11.482   62.224   11.629  174.113   12.204  150.308   14.318 23.80566 18.81322 
1 1 1   15   26    4 o  337.230   7.2476  312.600   12.691  302.027   20.895  318.781   15.976  332.191   11.641  342.269   8.6377 -10.07779 14.49528 
1 1 1   15   26    5 o  165.438   8.2057   73.193   7.1240   82.005   11.814   68.157   8.9304  172.883   12.646  157.993   10.460 14.89003 16.41145 
1 1 1   15   26    6 o  149.814   10.129   61.250   8.1995   0.0000   0.0000   61.250   8.1995  ?   ?   149.814   10.129      ?      ? 
1 1 1   15   26    7 o   67.171   19.001   12.978   7.2057   0.0000   0.0000   12.978   7.2057  ?   ?    67.171   19.001      ?      ? 
1 1 1   15   26    8 o  102.852   12.561   29.038   6.9812   0.0000   0.0000   29.038   6.9812  ?   ?   102.852   12.561      ?      ? 
1 1 1   15   26    9 o  169.245   9.3233   78.086   8.5266   0.0000   0.0000   78.086   8.5266  ?   ?   169.245   9.3233      ?      ? 
1 1 1   15   26   10 o  120.658   11.498   39.886   7.4968   0.0000   0.0000   39.886   7.4968  ?   ?   120.658   11.498      ?      ? 
1 1 1   15   26   11 o  299.072   8.5382  243.605   13.798   0.0000   0.0000  243.605   13.798  ?   ?   299.072   8.5382      ?      ? 
1 1 1   15   26   12 o  238.176   7.4079  154.242   9.5341   0.0000   0.0000  154.242   9.5341  ?   ?   238.176   7.4079      ?      ? 
1 1 1   15   26   13 o  238.377   14.084  157.267   18.141   0.0000   0.0000  157.267   18.141  ?   ?   238.377   14.084      ?      ? 
1 1 1   15   26   14 o   71.801   18.058   15.060   6.9994   0.0000   0.0000   15.060   6.9994  ?   ?    71.801   18.058      ?      ? 
1 1 1   15   26   15 o   98.269   13.464   26.726   7.1494   0.0000   0.0000   26.726   7.1494  ?   ?    98.269   13.464      ?      ? 
1 1 1   15   26   16 o  171.578   17.537   82.911   16.260   0.0000   0.0000   82.911   16.260  ?   ?   171.578   17.537      ?      ? 
1 1 1   15   26   17 o   84.571   16.341   20.665   7.1973   0.0000   0.0000   20.665   7.1973  ?   ?    84.571   16.341      ?      ? 
1 1 1   15   26   18 o  220.645   7.5150  132.623   8.9600   0.0000   0.0000  132.623   8.9600  ?   ?   220.645   7.5150      ?      ? 
1 1 1   15   26   19 o  151.674   12.699   63.691   10.408   0.0000   0.0000   63.691   10.408  ?   ?   151.674   12.699      ?      ? 
1 1 1   15   26   20 o  158.495   12.505   69.605   10.710   0.0000   0.0000   69.605   10.710  ?   ?   158.495   12.505      ?      ? 
1 1 1   15   26   21 o   65.668   18.180   12.720   6.6708   0.0000   0.0000   12.720   6.6708  ?   ?    65.668   18.180      ?      ? 
1 1 1   15   26   22 o   47.494   18.299   4.6771   6.6344   0.0000   0.0000   4.6771   6.6344  ?   ?    47.494   18.299      ?      ? 
1 1 1   15   26   23 o   87.404   13.405   21.341   6.3311   0.0000   0.0000   21.341   6.3311  ?   ?    87.404   13.405      ?      ? 
1 1 1   15   26   24 o  152.658   12.639   64.972   10.426   0.0000   0.0000   64.972   10.426  ?   ?   152.658   12.639      ?      ? 
1 1 1   15   26   25 o  102.252   12.190   29.152   6.7353   0.0000   0.0000   29.152   6.7353  ?   ?   102.252   12.190      ?      ? 
1 1 1   15   26   26 o   83.418   14.960   20.245   6.4956   0.0000   0.0000   20.245   6.4956  ?   ?    83.418   14.960      ?      ? 
1 1 1   15   26   27 o   58.061   17.935   9.8717   6.1940   0.0000   0.0000   9.8717   6.1940  ?   ?    58.061   17.935      ?      ? 
1 1 1   15   26   28 o   81.602   15.296   19.526   6.4969   0.0000   0.0000   19.526   6.4969  ?   ?    81.602   15.296      ?      ? 
1 1 1   15   26   29 o  162.004   8.4618   72.220   7.4076   0.0000   0.0000   72.220   7.4076  ?   ?   162.004   8.4618      ?      ? 
1 1 1   15   26   30 o   37.441   12.363  -5.5938   5.4061  -3.5968   10.315  -6.3500   6.3477   44.052   19.988   30.831   14.556 13.22035 24.72648 
1 1 1   15   26   31 o  148.830   10.599   69.972   7.2906   49.482   13.158   79.050   8.7579  128.844   18.899  168.816   9.6006 -39.97157 21.19769 
1 1 1   15   26   32 o   69.831   13.951   16.954   5.7484   5.7050   11.686   20.545   6.6025   56.364   23.380   83.298   15.230 -26.93355 27.90254 
1 1 1   15   26   33 o  100.941   18.858   31.138   9.9078   0.0000   0.0000   31.138   9.9078  ?   ?   100.941   18.858      ?      ? 
1 1 1   15   26   34 o  112.284   12.616   37.587   7.6510   37.945   11.004   37.252   10.646  112.663   18.074  111.905   17.605 0.7577209 25.23116 
1 1 1   15   26   35 o   39.781   13.410 -10.9785   7.9947  -6.0734   10.008 -19.6261   13.289   40.516   18.851   39.046   19.077 1.470512 26.81944 
1 1 1   15   26   36 o   82.410   15.559   22.413   7.1574   18.164   10.165   26.592   10.080   74.020   22.994   90.800   20.968 -16.77995 31.11833 
1 1 1   15   26   37 o  168.040   8.8591   81.519   8.0378   79.019   11.460   83.941   11.276  165.237   12.835  170.842   12.215 -5.604492 17.71825 
1 1 1   15   26   38 o   53.239   15.427   6.0885   7.1442   9.5978   10.429   2.9850   9.8069   58.066   22.782   48.412   20.808 9.653599 30.85459 
1 1 1   15   26   39 f   83.269   15.901   23.656   7.4298   19.404   10.810   27.464   10.229   75.118   23.769   91.420   21.130 -16.30226 31.80269 
1 1 1   15   26   40 o   49.804   14.000   0.1147   6.9980 -15.5678   10.151   14.317   9.6603   33.945   16.603   65.662   22.547 -31.71729 28.00095 
1 1 1   15   26   41 f   48.961   14.629   5.4625   6.6848   3.8570   9.6802   6.9262   9.2426   47.235   20.487   50.686   20.888 -3.450882 29.25776 
1 1 1   15   26   42 o  101.184   13.293   33.946   7.0622   32.814   10.490   34.884   9.5509   97.430   20.570  104.938   16.843 -7.508858 26.58606 
1 1 1   15   26   43 o   51.714   14.546   5.3057   6.5825   15.071   9.9313  -2.3450   8.7907   64.111   22.798   39.317   18.070 24.79398 29.09104 
1 1 1   15   26   44 o   54.669   14.981   9.8339   6.7380   3.4880   9.7459   15.644   9.3257   45.807   20.194   63.530   22.134 -17.72303 29.96216 
1 1 1   15   27    0 o  203.442   17.320  118.231   18.415  124.662   30.403  114.505   23.143  206.188   27.288  200.697   21.339 5.491302 34.64082 
1 1 1   15   27    1 o   83.118   15.606   20.227   7.2422   15.256   10.027   25.648   10.471   72.916   22.868   93.319   21.242 -20.40324 31.21182 
1 1 1   15   27    2 f  233.210   7.5032  148.865   9.4548  147.049   13.282  150.731   13.462  231.770   10.605  234.651   10.617 -2.880737 15.00634 
1 1 1   15   27    3 o   98.489   12.964   31.937   6.1891   16.426   10.293   40.720   7.7457   75.215   23.101  121.763   11.772 -46.54729 25.92783 
1 1 1   15   27    4 o  141.736   9.0126   54.000   6.6056   60.000   11.335   50.914   8.1286  147.208   14.249  136.265   11.039 10.94293 18.02518 
1 1 1   15   27    5 o   42.146   13.222  -2.1760   5.8796  -2.2590   9.3469  -2.1216   7.5633   44.464   19.681   39.828   17.662 4.635746 26.44397 
1 1 1   15   27    6 o  192.614   8.0718  101.075   8.4014   0.0000   0.0000  101.075   8.4014  ?   ?   192.614   8.0718      ?      ? 
1 1 1   15   27    7 o  213.762   7.6655  124.408   8.8544   0.0000   0.0000  124.408   8.8544  ?   ?   213.762   7.6655      ?      ? 
1 1 1   15   27    8 o   59.199   19.229   9.7363   7.0408   0.0000   0.0000   9.7363   7.0408  ?   ?    59.199   19.229      ?      ? 
1 1 1   15   27    9 o  129.790   10.740   46.228   7.5327   0.0000   0.0000   46.228   7.5327  ?   ?   129.790   10.740      ?      ? 
1 1 1   15   27   10 o  222.228   15.205  137.697   18.259   0.0000   0.0000  137.697   18.259  ?   ?   222.228   15.205      ?      ? 
1 1 1   15   27   11 o  122.941   11.518   41.600   7.6517   0.0000   0.0000   41.600   7.6517  ?   ?   122.941   11.518      ?      ? 
1 1 1   15   27   12 o   69.922   18.421   14.350   7.0574   0.0000   0.0000   14.350   7.0574  ?   ?    69.922   18.421      ?      ? 
1 1 1   15   27   13 o  265.052   7.3373  191.319   10.509   0.0000   0.0000  191.319   10.509  ?   ?   265.052   7.3373      ?      ? 
1 1 1   15   27   14 o   29.875   14.429 -10.6301   7.0359   0.0000   0.0000 -10.6301   7.0359  ?   ?    29.875   14.429      ?      ? 
1 1 1   15   27   15 o  133.830   10.659   49.273   7.7080   0.0000   0.0000   49.273   7.7080  ?   ?   133.830   10.659      ?      ? 
1 1 1   15   27   16 o  176.006   9.2523   84.917   8.7996   0.0000   0.0000   84.917   8.7996  ?   ?   176.006   9.2523      ?      ? 
1 1 1   15   27   17 o  143.002   9.9407   56.232   7.6815   0.0000   0.0000   56.232   7.6815  ?   ?   143.002   9.9407      ?      ? 
1 1 1   15   27   18 o  106.199   12.620   31.371   7.2423   0.0000   0.0000   31.371   7.2423  ?   ?   106.199   12.620      ?      ? 
1 1 1   15   27   19 o  137.767   9.9785   52.245   7.4285   0.0000   0.0000   52.245   7.4285  ?   ?   137.767   9.9785      ?      ? 
1 1 1   15   27   20 f   88.129   14.636   21.872   6.9701   0.0000   0.0000   21.872   6.9701  ?   ?    88.129   14.636      ?      ? 
1 1 1   15   27   21 o   66.338   17.998   13.133   6.6156   0.0000   0.0000   13.133   6.6156  ?   ?    66.338   17.998      ?      ? 
1 1 1   15   27   22 o  226.525   7.2036  140.228   8.8177   0.0000   0.0000  140.228   8.8177  ?   ?   226.525   7.2036      ?      ? 
1 1 1   15   27   23 o   87.918   14.074   21.809   6.6862   0.0000   0.0000   21.809   6.6862  ?   ?    87.918   14.074      ?      ? 
1 1 1   15   27   24 o  102.488   12.302   29.371   6.8130   0.0000   0.0000   29.371   6.8130  ?   ?   102.488   12.302      ?      ? 
1 1 1   15   27   25 o  128.641   10.228   45.860   7.1096   0.0000   0.0000   45.860   7.1096  ?   ?   128.641   10.228      ?      ? 
1 1 1   15   27   26 o   33.970   15.352  -2.5229   6.0139   0.0000   0.0000  -2.5229   6.0139  ?   ?    33.970   15.352      ?      ? 
1 1 1   15   27   27 o   90.124   13.844   23.090   6.7418   0.0000   0.0000   23.090   6.7418  ?   ?    90.124   13.844      ?      ? 
1 1 1   15   27   28 o  208.496   7.6074  119.404   8.5709   0.0000   0.0000  119.404   8.5709  ?   ?   208.496   7.6074      ?      ? 
1 1 1   15   27   29 o  172.865   8.0545   82.302   7.5238   0.0000   0.0000   82.302   7.5238  ?   ?   172.865   8.0545      ?      ? 
1 1 1   15   27   30 o   45.972   17.883   4.5790   6.3827   0.0000   0.0000   4.5790   6.3827  ?   ?    45.972   17.883      ?      ? 
1 1 1   15   27   31 o   45.138   13.887   0.9614   5.6700   1.6365   11.058   0.7207   6.6043   50.438   21.886   39.839   17.098 10.59877 27.77317 
1 1 1   15   27   32 o  196.632   8.2335  104.300   7.4308  119.324   15.665   99.938   8.4409  203.139   14.271  190.124   8.2160 13.01411 16.46693 
1 1 1   15   27   33 o   79.664   14.458   22.135   5.9532   13.745   12.867   24.421   6.7152   67.164   25.580   92.164   13.484 -25.00034 28.91589 
1 1 1   15   27   34 o   88.828   22.008   26.162   10.510   0.0000   0.0000   26.162   10.510  ?   ?    88.828   22.008      ?      ? 
1 1 1   15   27   35 o   70.878   17.506   17.920   8.3258   19.995   10.207   13.795   14.393   75.949   22.939   65.806   26.452 10.14256 35.01250 
1 1 1   15   27   36 o  171.243   10.807   79.424   9.5415   60.911   11.603  118.086   16.768  143.467   14.967  199.020   15.592 -55.55319 21.61301 
1 1 1   15   27   38 o   54.988   15.509   6.2746   7.5740  -2.5892   10.908   14.526   10.525   44.387   20.300   65.589   23.454 -21.20203 31.01884 
1 1 1   15   27   39 o  104.856   14.029   37.841   7.7458   34.772   11.207   40.649   10.718   98.182   21.700  111.530   17.785 -13.34815 28.05703 
1 1 1   15   27   40 o   74.417   16.349   20.558   7.3065   23.389   10.529   17.928   10.148   79.363   23.132   69.471   23.111 9.892700 32.69888 
1 1 1   15   27   41 o   48.255   20.832   4.4204   9.9152   4.4204   9.9152   0.0000   0.0000   48.255   20.832  ?   ?       ?      ? 
1 1 1   15   27   42 o   54.259   15.077   8.8883   6.8910   16.681   10.048   1.9680   9.4687   64.725   22.941   43.793   19.569 20.93222 30.15362 
1 1 1   15   28    0 o  260.199   17.889  191.374   25.153   0.0000   0.0000  191.374   25.153  ?   ?   260.199   17.889      ?      ? 
1 1 1   15   28    1 o  119.635   24.584   44.664   16.702   60.923   26.825   34.369   21.344  135.410   36.029  103.861   33.456 31.54843 49.16720 
1 1 1   15   28    2 o   97.470   23.919   24.465   17.206   49.392   25.069   2.2658   23.657  122.063   35.727   72.877   31.813 49.18580 47.83831 
1 1 1   15   28    3 o  256.399   10.646  180.574   14.750   0.0000   0.0000  180.574   14.750  ?   ?   256.399   10.646      ?      ? 
1 1 1   15   28    4 o  159.154   13.459   70.276   11.575   0.0000   0.0000   70.276   11.575  ?   ?   159.154   13.459      ?      ? 
1 1 1   15   28    5 o  176.270   13.333   86.194   12.700   0.0000   0.0000   86.194   12.700  ?   ?   176.270   13.333      ?      ? 
1 1 1   15   28    6 o  163.400   9.5838   73.153   8.4621   0.0000   0.0000   73.153   8.4621  ?   ?   163.400   9.5838      ?      ? 
1 1 1   15   28    7 o  148.560   9.9471   60.554   7.9852   0.0000   0.0000   60.554   7.9852  ?   ?   148.560   9.9471      ?      ? 
1 1 1   15   28    8 o   74.527   18.223   16.399   7.2778   0.0000   0.0000   16.399   7.2778  ?   ?    74.527   18.223      ?      ? 
1 1 1   15   28    9 o   31.431   14.974  -8.5301   7.0208   0.0000   0.0000  -8.5301   7.0208  ?   ?    31.431   14.974      ?      ? 
1 1 1   15   28   10 o  289.102   8.6736  228.768   13.550   0.0000   0.0000  228.768   13.550  ?   ?   289.102   8.6736      ?      ? 
1 1 1   15   28   11 o   49.920   18.975   5.4855   7.0715   0.0000   0.0000   5.4855   7.0715  ?   ?    49.920   18.975      ?      ? 
1 1 1   15   28   12 o  113.249   11.918   35.557   7.2934   0.0000   0.0000   35.557   7.2934  ?   ?   113.249   11.918      ?      ? 
1 1 1   15   28   13 o  156.416   9.3965   67.190   7.9421   0.0000   0.0000   67.190   7.9421  ?   ?   156.416   9.3965      ?      ? 
1 1 1   15   28   14 o  232.458   7.6515  147.622   9.6112   0.0000   0.0000  147.622   9.6112  ?   ?   232.458   7.6515      ?      ? 
1 1 1   15   28   15 o  182.053   8.5758   90.842   8.4365   0.0000   0.0000   90.842   8.4365  ?   ?   182.053   8.5758      ?      ? 
1 1 1   15   28   16 o  193.992   9.4485  103.558   9.9046   0.0000   0.0000  103.558   9.9046  ?   ?   193.992   9.4485      ?      ? 
1 1 1   15   28   17 o   41.624   17.588   1.1720   6.8012   0.0000   0.0000   1.1720   6.8012  ?   ?    41.624   17.588      ?      ? 
1 1 1   15   28   18 o  139.030   10.248   53.443   7.6987   0.0000   0.0000   53.443   7.6987  ?   ?   139.030   10.248      ?      ? 
1 1 1   15   28   19 o   56.553   18.963   9.0437   6.8305   0.0000   0.0000   9.0437   6.8305  ?   ?    56.553   18.963      ?      ? 
1 1 1   15   28   20 o   52.090   18.730   7.0767   6.7205   0.0000   0.0000   7.0767   6.7205  ?   ?    52.090   18.730      ?      ? 
1 1 1   15   28   21 o  132.329   10.226   48.515   7.3124   0.0000   0.0000   48.515   7.3124  ?   ?   132.329   10.226      ?      ? 
1 1 1   15   28   22 o  136.432   10.402   51.683   7.6690   0.0000   0.0000   51.683   7.6690  ?   ?   136.432   10.402      ?      ? 
1 1 1   15   28   23 o  196.985   7.9303  106.597   8.4413   0.0000   0.0000  106.597   8.4413  ?   ?   196.985   7.9303      ?      ? 
1 1 1   15   28   24 o   97.662   13.328   27.045   7.0337   0.0000   0.0000   27.045   7.0337  ?   ?    97.662   13.328      ?      ? 
1 1 1   15   28   25 o  131.544   9.9178   48.099   7.0498   0.0000   0.0000   48.099   7.0498  ?   ?   131.544   9.9178      ?      ? 
1 1 1   15   28   26 o  229.433   8.6128  145.380   10.678   0.0000   0.0000  145.380   10.678  ?   ?   229.433   8.6128      ?      ? 
1 1 1   15   28   27 o  141.827   9.9008   55.932   7.5879   0.0000   0.0000   55.932   7.5879  ?   ?   141.827   9.9008      ?      ? 
1 1 1   15   28   28 o  135.097   20.144   55.588   14.705   0.0000   0.0000   55.588   14.705  ?   ?   135.097   20.144      ?      ? 
1 1 1   15   28   29 o   99.638   12.922   28.362   6.9574   0.0000   0.0000   28.362   6.9574  ?   ?    99.638   12.922      ?      ? 
1 1 1   15   28   30 o   89.352   14.090   23.076   6.8029   0.0000   0.0000   23.076   6.8029  ?   ?    89.352   14.090      ?      ? 
1 1 1   15   28   31 o  171.716   8.5196   81.841   7.9053   0.0000   0.0000   81.841   7.9053  ?   ?   171.716   8.5196      ?      ? 
1 1 1   15   28   32 o   79.283   15.206   19.718   6.1076   24.887   11.882   17.862   7.1204   83.591   24.633   74.975   17.835 8.616417 30.41184 
1 1 1   15   28   33 o   78.738   12.858   25.191   6.3744  -0.5977   12.835   33.636   7.3443   49.590   22.418  107.885   12.598 -58.29558 25.71541 
1 1 1   15   28   34 o  224.720   11.173  143.466   13.567   0.0000   0.0000  143.466   13.567  ?   ?   224.720   11.173      ?      ? 
1 1 1   15   28   35 o   77.088   18.063   18.813   7.3930   0.0000   0.0000   18.813   7.3930  ?   ?    77.088   18.063      ?      ? 
1 1 1   15   28   36 o  103.873   16.797   41.581   9.2938   47.628   11.510   30.248   15.755  123.130   17.298   84.617   28.799 38.51292 33.59449 
1 1 1   15   28   37 o   38.982   12.965  -5.6916   7.1322  -0.4532   9.9727 -11.1759   10.204   42.741   19.494   35.223   17.098 7.518204 25.92964 
1 1 1   15   28   38 o  132.523   10.986   54.239   7.7517   44.517   10.897   64.196   11.029  118.890   16.962  146.156   13.964 -27.26585 21.97108 
1 1 1   15   28   39 o  104.054   13.179   36.231   7.2516   38.615   10.413   33.986   10.104  108.652   17.736   99.456   19.498 9.196159 26.35806 
1 1 1   15   29    0 o  143.755   13.931   57.839   10.822   57.839   10.822   0.0000   0.0000  143.755   13.931  ?   ?       ?      ? 
1 1 1   15   29    1 o   44.759   13.959  -1.9912   6.6337  -4.8154   9.0576   1.2764   9.7427   40.579   18.535   48.939   20.879 -8.360130 27.91877 
1 1 1   15   29    2 o  132.460   9.7945   49.294   6.7732   48.266   11.026   49.917   8.5839  130.732   15.607  134.189   11.838 -3.457108 19.58903 
1 1 1   15   29    3 o  250.971   7.2971  176.577   9.5819  160.045   15.180  187.528   12.354  240.344   11.688  261.599   8.7397 -21.25412 14.59416 
1 1 1   15   29    4 o  153.445   8.7841   65.704   7.1288   64.167   11.215   66.746   9.2346  151.466   13.702  155.424   10.995 -3.957657 17.56816 
1 1 1   15   29    5 o   67.332   22.236   13.172   9.4005   0.0000   0.0000   13.172   9.4005  ?   ?    67.332   22.236      ?      ? 
1 1 1   15   29    6 o   87.552   23.429   23.684   11.302   0.0000   0.0000   23.684   11.302  ?   ?    87.552   23.429      ?      ? 
1 1 1   15   29    7 o  174.752   13.726   85.533   12.961   0.0000   0.0000   85.533   12.961  ?   ?   174.752   13.726      ?      ? 
1 1 1   15   29    8 o  124.328   17.342   44.267   11.651   0.0000   0.0000   44.267   11.651  ?   ?   124.328   17.342      ?      ? 
1 1 1   15   29    9 o   55.376   22.707   4.8427   10.856   0.0000   0.0000   4.8427   10.856  ?   ?    55.376   22.707      ?      ? 
1 1 1   15   29   10 o   64.300   23.482   11.164   10.620   0.0000   0.0000   11.164   10.620  ?   ?    64.300   23.482      ?      ? 
1 1 1   15   29   11 f  144.149   14.581   58.747   11.358   0.0000   0.0000   58.747   11.358  ?   ?   144.149   14.581      ?      ? 
1 1 1   15   29   12 o  140.600   15.524   56.265   11.795   0.0000   0.0000   56.265   11.795  ?   ?   140.600   15.524      ?      ? 
1 1 1   15   29   13 o   91.996   14.789   23.982   7.3521   0.0000   0.0000   23.982   7.3521  ?   ?    91.996   14.789      ?      ? 
1 1 1   15   29   14 o   64.600   19.266   12.485   7.2334   0.0000   0.0000   12.485   7.2334  ?   ?    64.600   19.266      ?      ? 
1 1 1   15   29   15 o  156.588   9.4861   67.629   8.0267   0.0000   0.0000   67.629   8.0267  ?   ?   156.588   9.4861      ?      ? 
1 1 1   15   29   16 o   94.234   14.615   25.229   7.4419   0.0000   0.0000   25.229   7.4419  ?   ?    94.234   14.615      ?      ? 
1 1 1   15   29   17 o  249.760   9.7569  172.571   13.168   0.0000   0.0000  172.571   13.168  ?   ?   249.760   9.7569      ?      ? 
1 1 1   15   29   18 o  133.307   10.564   49.412   7.6096   0.0000   0.0000   49.412   7.6096  ?   ?   133.307   10.564      ?      ? 
1 1 1   15   29   19 o   79.264   16.776   18.833   6.9613   0.0000   0.0000   18.833   6.9613  ?   ?    79.264   16.776      ?      ? 
1 1 1   15   29   20 o  247.770   9.4839  170.045   12.698   0.0000   0.0000  170.045   12.698  ?   ?   247.770   9.4839      ?      ? 
1 1 1   15   29   21 o   76.708   17.087   17.818   6.9012   0.0000   0.0000   17.818   6.9012  ?   ?    76.708   17.087      ?      ? 
1 1 1   15   29   22 o  105.820   12.764   31.728   7.2986   0.0000   0.0000   31.728   7.2986  ?   ?   105.820   12.764      ?      ? 
1 1 1   15   29   23 o   64.191   19.026   12.647   7.0708   0.0000   0.0000   12.647   7.0708  ?   ?    64.191   19.026      ?      ? 
1 1 1   15   29   24 o  100.226   13.615   28.667   7.3738   0.0000   0.0000   28.667   7.3738  ?   ?   100.226   13.615      ?      ? 
1 1 1   15   29   25 o   43.538   17.984   2.7649   6.8732   0.0000   0.0000   2.7649   6.8732  ?   ?    43.538   17.984      ?      ? 
1 1 1   15   29   26 o   37.504   16.736  -1.4273   6.8993   0.0000   0.0000  -1.4273   6.8993  ?   ?    37.504   16.736      ?      ? 
1 1 1   15   29   27 o   94.056   14.102   25.581   7.1673   0.0000   0.0000   25.581   7.1673  ?   ?    94.056   14.102      ?      ? 
1 1 1   15   29   28 o   98.946   13.454   28.286   7.1935   0.0000   0.0000   28.286   7.1935  ?   ?    98.946   13.454      ?      ? 
1 1 1   15   29   29 o   38.087   16.873  -0.5334   6.8851   0.0000   0.0000  -0.5334   6.8851  ?   ?    38.087   16.873      ?      ? 
1 1 1   15   29   30 o   54.030   19.241   8.7539   7.0758   0.0000   0.0000   8.7539   7.0758  ?   ?    54.030   19.241      ?      ? 
1 1 1   15   29   31 o   80.721   17.656   20.447   7.4869   0.0000   0.0000   20.447   7.4869  ?   ?    80.721   17.656      ?      ? 
1 1 1   15   29   32 o   74.552   18.716   17.753   7.5285   0.0000   0.0000   17.753   7.5285  ?   ?    74.552   18.716      ?      ? 
1 1 1   15   29   33 o  101.659   14.243   38.995   6.7218   23.018   12.828   45.042   7.8921   78.271   25.982  125.046   11.680 -46.77558 28.48627 
1 1 1   15   29   34 o   78.528   14.252   25.264   6.7616   11.131   13.046   30.455   7.9065   57.835   24.394   99.221   14.747 -41.38686 28.50483 
1 1 1   15   29   35 o   70.199   19.182   16.846   7.4832   0.0000   0.0000   16.846   7.4832  ?   ?    70.199   19.182      ?      ? 
1 1 1   15   29   36 o  144.404   10.737   65.474   7.5909   59.550   13.455   68.240   9.1938  135.419   18.387  153.389   11.092 -17.97014 21.47354 
1 1 1   15   29   37 o   81.208   18.913   29.208   9.5129   28.491   11.985   30.428   15.639   83.168   24.798   79.247   28.563 3.921448 37.82601 
1 1 1   15   30    0 o  105.855   13.916   34.138   7.6367   39.910   10.354   27.252   11.309  118.127   16.220   93.584   22.616 24.54312 27.83102 
1 1 1   15   30    1 o  163.929   8.5141   73.032   7.3031   82.613   12.215   67.701   9.1110  171.576   13.174  156.283   10.789 15.29315 17.02822 
1 1 1   15   30    2 o   59.638   14.589   9.9986   5.7747   7.8198   8.8045   11.644   7.6501   56.427   21.237   62.849   20.007 -6.422276 29.17699 
1 1 1   15   30    3 o  100.513   11.997   28.134   6.2323   35.023   10.383   24.254   7.7921  110.169   17.442   90.856   16.478 19.31257 23.99451 
1 1 1   15   30    4 f   55.891   19.638   8.5017   7.3486   0.0000   0.0000   8.5017   7.3486  ?   ?    55.891   19.638      ?      ? 
1 1 1   15   30    5 o  120.483   12.037   40.504   7.8366   0.0000   0.0000   40.504   7.8366  ?   ?   120.483   12.037      ?      ? 
1 1 1   15   30    6 o  161.082   9.4873   71.544   8.2581   0.0000   0.0000   71.544   8.2581  ?   ?   161.082   9.4873      ?      ? 
1 1 1   15   30    7 o  200.715   8.5991  110.708   9.3266   0.0000   0.0000  110.708   9.3266  ?   ?   200.715   8.5991      ?      ? 
1 1 1   15   30    8 o  249.322   7.6648  170.280   10.326   0.0000   0.0000  170.280   10.326  ?   ?   249.322   7.6648      ?      ? 
1 1 1   15   30    9 o   87.408   16.575   22.605   7.5421   0.0000   0.0000   22.605   7.5421  ?   ?    87.408   16.575      ?      ? 
1 1 1   15   30   10 o   97.567   14.791   27.118   7.7980   0.0000   0.0000   27.118   7.7980  ?   ?    97.567   14.791      ?      ? 
1 1 1   15   30   11 o  117.067   12.579   38.521   7.9573   0.0000   0.0000   38.521   7.9573  ?   ?   117.067   12.579      ?      ? 
1 1 1   15   30   12 o   57.261   22.474   7.5246   10.151   0.0000   0.0000   7.5246   10.151  ?   ?    57.261   22.474      ?      ? 
1 1 1   15   30   13 o   77.314   24.171   19.081   11.212   0.0000   0.0000   19.081   11.212  ?   ?    77.314   24.171      ?      ? 
1 1 1   15   30   15 o   47.949   21.224  -0.7145   10.872   0.0000   0.0000  -0.7145   10.872  ?   ?    47.949   21.224      ?      ? 
1 1 1   15   30   16 o   73.331   24.091   17.157   11.039   0.0000   0.0000   17.157   11.039  ?   ?    73.331   24.091      ?      ? 
1 1 1   15   30   17 f  187.472   13.308   99.975   13.482   0.0000   0.0000   99.975   13.482  ?   ?   187.472   13.308      ?      ? 
1 1 1   15   30   18 o   99.644   22.371   31.712   11.750   0.0000   0.0000   31.712   11.750  ?   ?    99.644   22.371      ?      ? 
1 1 1   15   30   19 o   76.787   24.948   19.216   11.851   0.0000   0.0000   19.216   11.851  ?   ?    76.787   24.948      ?      ? 
1 1 1   15   30   20 o   89.162   24.778   26.456   12.368   0.0000   0.0000   26.456   12.368  ?   ?    89.162   24.778      ?      ? 
1 1 1   15   30   21 o   97.321   24.397   31.629   12.806   0.0000   0.0000   31.629   12.806  ?   ?    97.321   24.397      ?      ? 
1 1 1   15   30   22 f  225.051   12.734  144.572   15.485   0.0000   0.0000  144.572   15.485  ?   ?   225.051   12.734      ?      ? 
1 1 1   15   30   23 f   97.510   24.595   32.157   12.958   0.0000   0.0000   32.157   12.958  ?   ?    97.510   24.595      ?      ? 
1 1 1   15   30   24 o  104.771   23.037   36.316   12.687   0.0000   0.0000   36.316   12.687  ?   ?   104.771   23.037      ?      ? 
1 1 1   15   30   25 o   44.674   20.787  -5.6157   12.173   0.0000   0.0000  -5.6157   12.173  ?   ?    44.674   20.787      ?      ? 
1 1 1   15   30   26 o   67.350   25.259   15.419   12.434   0.0000   0.0000   15.419   12.434  ?   ?    67.350   25.259      ?      ? 
1 1 1   15   30   27 o  114.114   14.268   38.260   8.7984   0.0000   0.0000   38.260   8.7984  ?   ?   114.114   14.268      ?      ? 
1 1 1   15   30   28 o   58.351   21.671   10.147   9.1078   0.0000   0.0000   10.147   9.1078  ?   ?    58.351   21.671      ?      ? 
1 1 1   15   30   29 o  120.834   14.782   43.011   9.6517   0.0000   0.0000   43.011   9.6517  ?   ?   120.834   14.782      ?      ? 
1 1 1   15   30   30 o   77.479   19.857   20.020   8.3515   0.0000   0.0000   20.020   8.3515  ?   ?    77.479   19.857      ?      ? 
1 1 1   15   30   31 o   35.187   16.616  -5.4359   8.2826   0.0000   0.0000  -5.4359   8.2826  ?   ?    35.187   16.616      ?      ? 
1 1 1   15   30   32 o   50.119   22.408   3.2009   12.433   0.0000   0.0000   3.2009   12.433  ?   ?    50.119   22.408      ?      ? 
1 1 1   15   30   33 o   48.979   22.090   1.5633   12.376   0.0000   0.0000   1.5633   12.376  ?   ?    48.979   22.090      ?      ? 
1 1 1   15   30   34 f   46.517   15.150  -3.1312   8.6722 -11.3243   11.074   9.8626   13.946   36.674   17.804   56.360   24.517 -19.68626 30.30005 
1 1 1   15   31    0 o  156.412   8.8396   70.118   7.0918   64.369   11.771   73.394   8.8857  150.205   14.502  162.619   10.112 -12.41379 17.67923 
1 1 1   15   31    1 o   77.370   14.932   17.527   6.3316   24.887   10.430   13.232   7.9675   88.883   21.866   65.858   20.341 23.02477 29.86446 
1 1 1   15   31    2 o   62.998   14.946   11.958   6.0683   8.5991   9.9326   13.958   7.6652   58.536   22.431   67.460   19.759 -8.924095 29.89273 
1 1 1   15   31    3 o   73.100   18.872   16.393   7.5058   0.0000   0.0000   16.393   7.5058  ?   ?    73.100   18.872      ?      ? 
1 1 1   15   31    4 o   58.184   19.781   9.8047   7.4331   0.0000   0.0000   9.8047   7.4331  ?   ?    58.184   19.781      ?      ? 
1 1 1   15   31    5 o  132.452   12.318   49.388   8.8165   0.0000   0.0000   49.388   8.8165  ?   ?   132.452   12.318      ?      ? 
1 1 1   15   31    6 o   82.680   17.827   20.735   7.7305   0.0000   0.0000   20.735   7.7305  ?   ?    82.680   17.827      ?      ? 
1 1 1   15   31    7 o   82.634   17.857   20.743   7.7409   0.0000   0.0000   20.743   7.7409  ?   ?    82.634   17.857      ?      ? 
1 1 1   15   31    8 f   95.274   15.281   26.184   7.8670   0.0000   0.0000   26.184   7.8670  ?   ?    95.274   15.281      ?      ? 
1 1 1   15   31    9 o  121.554   12.427   41.737   8.1622   0.0000   0.0000   41.737   8.1622  ?   ?   121.554   12.427      ?      ? 
1 1 1   15   31   10 o  177.864   9.2611   87.658   8.9010   0.0000   0.0000   87.658   8.9010  ?   ?   177.864   9.2611      ?      ? 
1 1 1   15   31   11 o   79.030   18.049   19.127   7.5388   0.0000   0.0000   19.127   7.5388  ?   ?    79.030   18.049      ?      ? 
1 1 1   15   31   12 o  111.853   12.904   35.479   7.7991   0.0000   0.0000   35.479   7.7991  ?   ?   111.853   12.904      ?      ? 
1 1 1   15   31   13 o   54.259   19.700   8.0029   7.4585   0.0000   0.0000   8.0029   7.4585  ?   ?    54.259   19.700      ?      ? 
1 1 1   15   31   14 o  105.601   13.330   31.751   7.6067   0.0000   0.0000   31.751   7.6067  ?   ?   105.601   13.330      ?      ? 
1 1 1   15   31   15 o  163.946   9.5550   74.715   8.4648   0.0000   0.0000   74.715   8.4648  ?   ?   163.946   9.5550      ?      ? 
1 1 1   15   31   16 o  187.775   8.9792   97.840   9.1110   0.0000   0.0000   97.840   9.1110  ?   ?   187.775   8.9792      ?      ? 
1 1 1   15   31   17 o   75.295   18.855   17.806   7.6546   0.0000   0.0000   17.806   7.6546  ?   ?    75.295   18.855      ?      ? 
1 1 1   15   31   18 o  101.321   14.124   29.681   7.7328   0.0000   0.0000   29.681   7.7328  ?   ?   101.321   14.124      ?      ? 
1 1 1   15   31   19 o   60.964   19.869   11.516   7.5143   0.0000   0.0000   11.516   7.5143  ?   ?    60.964   19.869      ?      ? 
1 1 1   15   31   20 o  119.178   12.595   40.713   8.1110   0.0000   0.0000   40.713   8.1110  ?   ?   119.178   12.595      ?      ? 
1 1 1   15   31   21 o   57.555   20.219   10.241   7.7896   0.0000   0.0000   10.241   7.7896  ?   ?    57.555   20.219      ?      ? 
1 1 1   15   31   22 o   54.263   19.945   8.7098   7.6795   0.0000   0.0000   8.7098   7.6795  ?   ?    54.263   19.945      ?      ? 
1 1 1   15   31   23 o   55.443   20.286   9.1252   7.9311   0.0000   0.0000   9.1252   7.9311  ?   ?    55.443   20.286      ?      ? 
1 1 1   15   31   24 o   77.643   19.712   19.547   8.2852   0.0000   0.0000   19.547   8.2852  ?   ?    77.643   19.712      ?      ? 
1 1 1   15   31   25 o   68.968   20.348   15.506   8.1028   0.0000   0.0000   15.506   8.1028  ?   ?    68.968   20.348      ?      ? 
1 1 1   15   31   26 o   43.584   19.721  -1.6691   9.9572   0.0000   0.0000  -1.6691   9.9572  ?   ?    43.584   19.721      ?      ? 
1 1 1   15   31   27 o   45.701   21.024  -1.6696   11.939   0.0000   0.0000  -1.6696   11.939  ?   ?    45.701   21.024      ?      ? 
1 1 1   15   31   28 o   49.757   22.174   4.1336   12.069   0.0000   0.0000   4.1336   12.069  ?   ?    49.757   22.174      ?      ? 
1 1 1   15   31   29 o   60.712   24.799   12.467   12.884   0.0000   0.0000   12.467   12.884  ?   ?    60.712   24.799      ?      ? 
1 1 1   15   31   30 o   44.770   21.633 -11.9437   15.864   0.0000   0.0000 -11.9437   15.864  ?   ?    44.770   21.633      ?      ? 
1 1 1   15   32    0 o  137.406   10.038   54.893   6.9923   51.374   11.918   56.740   8.6344  132.541   16.641  142.271   11.231 -9.730438 20.07643 
1 1 1   15   32    1 o   62.847   14.495   7.8585   6.4845   23.041   10.443  -1.6686   8.2726   84.628   22.462   41.065   18.325 43.56252 28.98936 
1 1 1   15   32    2 o   58.754   19.839   10.190   7.4768   0.0000   0.0000   10.190   7.4768  ?   ?    58.754   19.839      ?      ? 
1 1 1   15   32    3 o  108.000   13.437   33.224   7.8417   0.0000   0.0000   33.224   7.8417  ?   ?   108.000   13.437      ?      ? 
1 1 1   15   32    4 o   51.864   19.903   6.5064   7.8267   0.0000   0.0000   6.5064   7.8267  ?   ?    51.864   19.903      ?      ? 
1 1 1   15   32    5 o  111.771   13.117   35.537   7.9224   0.0000   0.0000   35.537   7.9224  ?   ?   111.771   13.117      ?      ? 
1 1 1   15   32    6 o   50.285   19.582   5.8113   7.6597   0.0000   0.0000   5.8113   7.6597  ?   ?    50.285   19.582      ?      ? 
1 1 1   15   32    7 o   45.437   18.511   3.5396   7.1552   0.0000   0.0000   3.5396   7.1552  ?   ?    45.437   18.511      ?      ? 
1 1 1   15   32    8 o   46.701   19.157   3.6762   7.7304   0.0000   0.0000   3.6762   7.7304  ?   ?    46.701   19.157      ?      ? 
1 1 1   15   32    9 o   51.428   19.627   6.6643   7.5851   0.0000   0.0000   6.6643   7.5851  ?   ?    51.428   19.627      ?      ? 
1 1 1   15   32   10 o   43.440   18.404   1.9278   7.4793   0.0000   0.0000   1.9278   7.4793  ?   ?    43.440   18.404      ?      ? 
1 1 1   15   32   11 o   62.145   19.878   12.021   7.5451   0.0000   0.0000   12.021   7.5451  ?   ?    62.145   19.878      ?      ? 
1 1 1   15   32   12 o   44.109   18.586   2.2854   7.5603   0.0000   0.0000   2.2854   7.5603  ?   ?    44.109   18.586      ?      ? 
1 1 1   15   32   13 o   41.581   17.866   1.0770   7.2264   0.0000   0.0000   1.0770   7.2264  ?   ?    41.581   17.866      ?      ? 
1 1 1   15   32   14 o   98.973   14.691   28.618   7.8568   0.0000   0.0000   28.618   7.8568  ?   ?    98.973   14.691      ?      ? 
1 1 1   15   32   15 o   97.666   14.902   28.117   7.8645   0.0000   0.0000   28.117   7.8645  ?   ?    97.666   14.902      ?      ? 
1 1 1   15   32   16 o   30.977   14.965  -9.9282   7.5839   0.0000   0.0000  -9.9282   7.5839  ?   ?    30.977   14.965      ?      ? 
1 1 1   15   32   17 o   74.564   19.094   18.081   7.7270   0.0000   0.0000   18.081   7.7270  ?   ?    74.564   19.094      ?      ? 
1 1 1   15   32   18 o   44.721   18.817   2.9111   7.7326   0.0000   0.0000   2.9111   7.7326  ?   ?    44.721   18.817      ?      ? 
1 1 1   15   32   19 o   45.854   19.173   3.3273   7.9492   0.0000   0.0000   3.3273   7.9492  ?   ?    45.854   19.173      ?      ? 
1 1 1   15   32   20 o  120.297   13.072   41.827   8.4971   0.0000   0.0000   41.827   8.4971  ?   ?   120.297   13.072      ?      ? 
1 1 1   15   32   21 o  137.931   11.726   54.318   8.7401   0.0000   0.0000   54.318   8.7401  ?   ?   137.931   11.726      ?      ? 
1 1 1   15   32   22 o  129.670   12.007   48.439   8.4133   0.0000   0.0000   48.439   8.4133  ?   ?   129.670   12.007      ?      ? 
1 1 1   15   32   23 o   80.028   19.909   21.972   8.5744   0.0000   0.0000   21.972   8.5744  ?   ?    80.028   19.909      ?      ? 
1 1 1   15   32   24 o   56.359   22.161   10.939   9.8873   0.0000   0.0000   10.939   9.8873  ?   ?    56.359   22.161      ?      ? 
1 1 1   15   32   25 o   28.845   14.381 -19.1642   9.0166   0.0000   0.0000 -19.1642   9.0166  ?   ?    28.845   14.381      ?      ? 
1 1 1   15   32   26 o   98.697   19.560   32.663   10.063   0.0000   0.0000   32.663   10.063  ?   ?    98.697   19.560      ?      ? 
1 1 1   15   32   28 o   38.562   18.114  -4.0628   9.6129   0.0000   0.0000  -4.0628   9.6129  ?   ?    38.562   18.114      ?      ? 
1 1 1   15   33    0 o   47.121   14.247   1.7377   6.1753   5.5338   10.453  -0.2973   7.6537   53.498   22.145   40.743   17.932 12.75462 28.49488 
1 1 1   15   33    1 o  114.479   14.366   38.075   8.8869   0.0000   0.0000   38.075   8.8869  ?   ?   114.479   14.366      ?      ? 
1 1 1   15   33    2 o   69.209   19.437   15.243   7.5682   0.0000   0.0000   15.243   7.5682  ?   ?    69.209   19.437      ?      ? 
1 1 1   15   33    3 o   90.402   17.275   25.117   8.1312   0.0000   0.0000   25.117   8.1312  ?   ?    90.402   17.275      ?      ? 
1 1 1   15   33    4 o   80.756   17.530   20.268   7.4304   0.0000   0.0000   20.268   7.4304  ?   ?    80.756   17.530      ?      ? 
1 1 1   15   33    5 o   48.208   19.077   5.3104   7.3710   0.0000   0.0000   5.3104   7.3710  ?   ?    48.208   19.077      ?      ? 
1 1 1   15   33    6 o  129.436   11.808   47.870   8.2587   0.0000   0.0000   47.870   8.2587  ?   ?   129.436   11.808      ?      ? 
1 1 1   15   33    7 o   46.318   20.318   1.1734   9.7556   0.0000   0.0000   1.1734   9.7556  ?   ?    46.318   20.318      ?      ? 
1 1 1   15   33    8 o   51.686   19.524   7.4116   7.4567   0.0000   0.0000   7.4116   7.4567  ?   ?    51.686   19.524      ?      ? 
1 1 1   15   33    9 o   53.169   19.873   8.1256   7.6836   0.0000   0.0000   8.1256   7.6836  ?   ?    53.169   19.873      ?      ? 
1 1 1   15   33   10 o   96.277   15.221   27.643   7.9189   0.0000   0.0000   27.643   7.9189  ?   ?    96.277   15.221      ?      ? 
1 1 1   15   33   11 o   29.896   14.573 -11.7345   7.6310   0.0000   0.0000 -11.7345   7.6310  ?   ?    29.896   14.573      ?      ? 
1 1 1   15   33   12 o   47.380   19.314   4.5435   7.7959   0.0000   0.0000   4.5435   7.7959  ?   ?    47.380   19.314      ?      ? 
1 1 1   15   33   13 o   28.840   14.249 -15.8438   8.1070   0.0000   0.0000 -15.8438   8.1070  ?   ?    28.840   14.249      ?      ? 
1 1 1   15   33   14 o   76.171   20.984   19.155   8.9126   0.0000   0.0000   19.155   8.9126  ?   ?    76.171   20.984      ?      ? 
1 1 1   15   33   16 o   28.582   14.382 -27.3511   10.057   0.0000   0.0000 -27.3511   10.057  ?   ?    28.582   14.382      ?      ? 
1 1 1   15   33   17 o   48.220   20.895   2.8662   10.052   0.0000   0.0000   2.8662   10.052  ?   ?    48.220   20.895      ?      ? 
1 1 1   15   33   18 o   35.761   17.225  -9.9913   9.8686   0.0000   0.0000  -9.9913   9.8686  ?   ?    35.761   17.225      ?      ? 
1 1 1   15   33   19 o   45.972   20.372   2.6555   10.045   0.0000   0.0000   2.6555   10.045  ?   ?    45.972   20.372      ?      ? 
1 1 1   15   33   20 o   36.262   17.420  -8.8962   9.9367   0.0000   0.0000  -8.8962   9.9367  ?   ?    36.262   17.420      ?      ? 
1 1 1   15   33   21 o   43.904   19.914  -0.5631   10.227   0.0000   0.0000  -0.5631   10.227  ?   ?    43.904   19.914      ?      ? 
1 1 1   15   33   22 o  131.166   15.076   52.699   10.686   0.0000   0.0000   52.699   10.686  ?   ?   131.166   15.076      ?      ? 
1 1 1   15   33   23 o   56.540   21.654   11.081   9.2525   0.0000   0.0000   11.081   9.2525  ?   ?    56.540   21.654      ?      ? 
1 1 1   15   33   24 o   26.415   13.168 -15.9579   7.5514   0.0000   0.0000 -15.9579   7.5514  ?   ?    26.415   13.168      ?      ? 
1 1 1   15   34    0 o   91.706   18.106   28.875   9.2082   23.581   11.813   37.072   14.700   81.943   24.662  101.470   26.516 -19.52712 36.21158 
1 1 1   15   34    1 o   57.907   23.992   7.8551   12.285   0.0000   0.0000   7.8551   12.285  ?   ?    57.907   23.992      ?      ? 
1 1 1   15   34    2 o  112.210   21.221   40.969   12.396   0.0000   0.0000   40.969   12.396  ?   ?   112.210   21.221      ?      ? 
1 1 1   15   34    3 o  101.317   22.787   34.436   12.173   0.0000   0.0000   34.436   12.173  ?   ?   101.317   22.787      ?      ? 
1 1 1   15   34    4 o   48.884   21.404   1.6769   10.782   0.0000   0.0000   1.6769   10.782  ?   ?    48.884   21.404      ?      ? 
1 1 1   15   34    5 o  126.252   16.781   48.003   11.448   0.0000   0.0000   48.003   11.448  ?   ?   126.252   16.781      ?      ? 
1 1 1   15   34    6 o   43.497   19.966  -3.6622   10.687   0.0000   0.0000  -3.6622   10.687  ?   ?    43.497   19.966      ?      ? 
1 1 1   15   34    7 o   62.187   23.424   11.998   10.715   0.0000   0.0000   11.998   10.715  ?   ?    62.187   23.424      ?      ? 
1 1 1   15   34    9 o   52.009   21.586   5.9081   9.9702   0.0000   0.0000   5.9081   9.9702  ?   ?    52.009   21.586      ?      ? 
1 1 1   15   34   10 o   54.716   22.351   8.0357   10.468   0.0000   0.0000   8.0357   10.468  ?   ?    54.716   22.351      ?      ? 
1 1 1   15   34   11 o   39.370   18.471  -5.0577   9.9437   0.0000   0.0000  -5.0577   9.9437  ?   ?    39.370   18.471      ?      ? 
1 1 1   15   34   12 o   43.935   19.818   0.6445   9.9666   0.0000   0.0000   0.6445   9.9666  ?   ?    43.935   19.818      ?      ? 
1 1 1   15   34   13 o   78.896   21.658   23.020   9.5139   0.0000   0.0000   23.020   9.5139  ?   ?    78.896   21.658      ?      ? 
1 1 1   15   34   14 o   42.590   19.231  -0.0093   9.4131   0.0000   0.0000  -0.0093   9.4131  ?   ?    42.590   19.231      ?      ? 
1 1 1   15   34   15 o   35.504   16.524  -4.0040   7.6998   0.0000   0.0000  -4.0040   7.6998  ?   ?    35.504   16.524      ?      ? 
1 1 1   15   34   16 o  100.874   14.882   31.008   8.1123   0.0000   0.0000   31.008   8.1123  ?   ?   100.874   14.882      ?      ? 
1 1 1   15   34   17 o   83.432   18.216   23.168   7.9821   0.0000   0.0000   23.168   7.9821  ?   ?    83.432   18.216      ?      ? 
1 1 1   15   34   18 o   52.242   19.889   8.9002   7.7765   0.0000   0.0000   8.9002   7.7765  ?   ?    52.242   19.889      ?      ? 
1 1 1   15   34   19 o   40.392   17.866   1.3853   7.6901   0.0000   0.0000   1.3853   7.6901  ?   ?    40.392   17.866      ?      ? 
1 1 1   15   35    0 o   36.939   17.049  -2.6921   7.9429   0.0000   0.0000  -2.6921   7.9429  ?   ?    36.939   17.049      ?      ? 
1 1 1   15   35    1 o   36.179   16.925  -4.2900   8.2458   0.0000   0.0000  -4.2900   8.2458  ?   ?    36.179   16.925      ?      ? 
1 1 1   15   35    2 o   38.894   17.429  -0.2415   7.5672   0.0000   0.0000  -0.2415   7.5672  ?   ?    38.894   17.429      ?      ? 
1 1 1   15   35    3 o   43.980   18.574   3.5563   7.5793   0.0000   0.0000   3.5563   7.5793  ?   ?    43.980   18.574      ?      ? 
1 1 1   15   35    4 o   53.315   20.057   8.9629   7.8511   0.0000   0.0000   8.9629   7.8511  ?   ?    53.315   20.057      ?      ? 
1 1 1   15   35    5 o   50.020   19.712   7.0238   7.8394   0.0000   0.0000   7.0238   7.8394  ?   ?    50.020   19.712      ?      ? 
1 1 1   15   35    6 o   52.175   19.728   8.3076   7.6179   0.0000   0.0000   8.3076   7.6179  ?   ?    52.175   19.728      ?      ? 
1 1 1   15   35    7 o   61.110   20.196   12.780   7.7541   0.0000   0.0000   12.780   7.7541  ?   ?    61.110   20.196      ?      ? 
1 1 1   15   35    8 o   47.940   19.324   5.8762   7.7053   0.0000   0.0000   5.8762   7.7053  ?   ?    47.940   19.324      ?      ? 
1 1 1   15   35    9 o   46.971   19.401   5.1965   7.9978   0.0000   0.0000   5.1965   7.9978  ?   ?    46.971   19.401      ?      ? 
1 1 1   15   35   10 o   30.135   14.706 -10.9401   7.8314   0.0000   0.0000 -10.9401   7.8314  ?   ?    30.135   14.706      ?      ? 
1 1 1   15   35   11 o   50.999   19.637   8.3256   7.6362   0.0000   0.0000   8.3256   7.6362  ?   ?    50.999   19.637      ?      ? 
1 1 1   15   35   12 o   33.634   15.887  -4.9698   7.5807   0.0000   0.0000  -4.9698   7.5807  ?   ?    33.634   15.887      ?      ? 
1 1 1   15   35   13 o   49.051   19.615   7.3642   7.8695   0.0000   0.0000   7.3642   7.8695  ?   ?    49.051   19.615      ?      ? 
1 1 1   16    0    0 o  612.335   7.6149  1014.76   35.608  1014.76   35.608  1014.76   35.608  612.335   10.769  612.335   10.769 0.000000 0.000000 
1 1 1   16    0    1 o  270.529   4.1286  198.056   8.5263  198.056   8.5263  198.056   8.5263  270.529   5.8387  270.529   5.8387 0.000000 0.000000 
1 1 1   16    0    2 o  120.840   3.6047   39.670   3.3153   39.670   3.3153   39.670   3.3153  120.840   5.0978  120.840   5.0978 0.000000 0.000000 
1 1 1   16    0    3 o  203.452   3.6791  112.076   5.7116  112.076   5.7116  112.076   5.7116  203.452   5.2030  203.452   5.2030 0.000000 0.000000 
1 1 1   16    0    4 o  270.763   4.1337  198.401   8.5442  198.401   8.5442  198.401   8.5442  270.763   5.8459  270.763   5.8459 0.000000 0.000000 
1 1 1   16    0    5 o  171.209   3.5500   79.416   4.6357   79.416   4.6357   79.416   4.6357  171.209   5.0205  171.209   5.0205 0.000000 0.000000 
1 1 1   16    0    6 o   89.989   4.1023   22.156   2.7942   22.156   2.7942   22.156   2.7942   89.989   5.8016   89.989   5.8016 0.000000 0.000000 
1 1 1   16    0    7 o  437.015   5.7340  516.784   19.135  516.784   19.135  516.784   19.135  437.015   8.1091  437.015   8.1091 0.000000 0.000000 
1 1 1   16    0    9 o  613.813   7.6528  1019.74   35.872  1019.74   35.872  1019.74   35.872  613.813   10.823  613.813   10.823 0.000000 0.000000 
1 1 1   16    0   10 o  116.880   3.9645   37.172   3.5225   37.172   3.5225   37.172   3.5225  116.880   5.6067  116.880   5.6067 0.000000 0.000000 
1 1 1   16    0   11 o  1223.53   14.647  4059.62  136.861  4059.62  136.861  4059.62  136.861  1223.53   20.714  1223.53   20.714 0.000000 0.000000 
1 1 1   16    0   12 o  617.379   7.7259  1031.59   36.425  1031.59   36.425  1031.59   36.425  617.379   10.926  617.379   10.926 0.000000 0.000000 
1 1 1   16    0   13 o  480.687   8.7595  626.126   32.129  626.126   32.129  626.126   32.129  480.687   12.388  480.687   12.388 0.000000 0.000000 
1 1 1   16    0   16 o   48.872   9.6145   7.7840   3.1063   7.7840   3.1063   7.7840   3.1063   48.872   13.597   48.872   13.597 0.000000 0.000000 
1 1 1   16    0   17 o  769.713   9.4163  1603.57   55.350  1603.57   55.350  1603.57   55.350  769.713   13.317  769.713   13.317 0.000000 0.000000 
1 1 1   16    0   18 o  1209.38   14.467  3962.73  133.617  3962.73  133.617  3962.73  133.617  1209.38   20.459  1209.38   20.459 0.000000 0.000000 
1 1 1   16    0   20 o  169.326   4.3043   77.776   5.5534   77.776   5.5534   77.776   5.5534  169.326   6.0873  169.326   6.0873 0.000000 0.000000 
1 1 1   16    0   22 o  1199.45   14.354  3897.12  131.489  3897.12  131.489  3897.12  131.489  1199.45   20.300  1199.45   20.300 0.000000 0.000000 
1 1 1   16    0   23 o  749.012   9.1910  1518.27   52.573  1518.27   52.573  1518.27   52.573  749.012   12.998  749.012   12.998 0.000000 0.000000 
1 1 1   16    0   25 o  1579.35   18.807  6766.48  226.840  6766.48  226.840  6766.48  226.840  1579.35   26.597  1579.35   26.597 0.000000 0.000000 
1 1 1   16    0   26 o  1006.48   12.135  2743.27   93.277  2743.27   93.277  2743.27   93.277  1006.48   17.162  1006.48   17.162 0.000000 0.000000 
1 1 1   16    0   27 o   87.269   6.5941   21.282   4.2710   21.282   4.2710   21.282   4.2710   87.269   9.3255   87.269   9.3255 0.000000 0.000000 
1 1 1   16    0   28 o   84.235   7.2297   20.014   4.4713   20.014   4.4713   20.014   4.4713   84.235   10.224   84.235   10.224 0.000000 0.000000 
1 1 1   16    0   29 o  534.519   6.8904  773.146   28.124  773.146   28.124  773.146   28.124  534.519   9.7444  534.519   9.7444 0.000000 0.000000 
1 1 1   16    0   30 o  702.858   8.7121  1337.24   46.762  1337.24   46.762  1337.24   46.762  702.858   12.321  702.858   12.321 0.000000 0.000000 
1 1 1   16    0   31 o  327.930   5.0529  291.065   12.649  291.065   12.649  291.065   12.649  327.930   7.1458  327.930   7.1458 0.000000 0.000000 
1 1 1   16    0   32 o  745.033   9.1978  1502.86   52.332  1502.86   52.332  1502.86   52.332  745.033   13.008  745.033   13.008 0.000000 0.000000 
1 1 1   16    0   33 o  561.054   7.2117  852.084   30.898  852.084   30.898  852.084   30.898  561.054   10.199  561.054   10.199 0.000000 0.000000 
1 1 1   16    0   34 o   60.789   12.924   12.371   5.2332   12.371   5.2332   12.371   5.2332   60.789   18.278   60.789   18.278 0.000000 0.000000 
1 1 1   16    0   35 o  489.357   6.4902  648.254   24.252  648.254   24.252  648.254   24.252  489.357   9.1785  489.357   9.1785 0.000000 0.000000 
1 1 1   16    0   36 o   62.364   12.520   12.782   5.1689   12.782   5.1689   12.782   5.1689   62.364   17.706   62.364   17.706 0.000000 0.000000 
1 1 1   16    0   37 o  400.369   5.6699  433.995   17.332  433.995   17.332  433.995   17.332  400.369   8.0184  400.369   8.0184 0.000000 0.000000 
1 1 1   16    0   38 o  443.102   6.0636  531.679   20.515  531.679   20.515  531.679   20.515  443.102   8.5753  443.102   8.5753 0.000000 0.000000 
1 1 1   16    0   39 o  324.015   5.1369  284.362   12.705  284.362   12.705  284.362   12.705  324.015   7.2647  324.015   7.2647 0.000000 0.000000 
1 1 1   16    0   40 o   96.169   7.8068   26.022   5.5413   26.022   5.5413   26.022   5.5413   96.169   11.041   96.169   11.041 0.000000 0.000000 
1 1 1   16    0   41 o  509.566   6.7308  703.848   26.190  703.848   26.190  703.848   26.190  509.566   9.5188  509.566   9.5188 0.000000 0.000000 
1 1 1   16    0   42 o   83.569   9.1259   20.252   5.4144   20.252   5.4144   20.252   5.4144   83.569   12.906   83.569   12.906 0.000000 0.000000 
1 1 1   16    0   43 o   63.607   16.767   14.863   7.5875   14.863   7.5875   14.863   7.5875   63.607   23.712   63.607   23.712 0.000000 0.000000 
1 1 1   16    0   46 o  252.781   4.9950  173.459   9.6319  173.459   9.6319  173.459   9.6319  252.781   7.0639  252.781   7.0639 0.000000 0.000000 
1 1 1   16    0   47 o   43.944   14.319   7.7381   5.2842   7.7381   5.2842   7.7381   5.2842   43.944   20.251   43.944   20.251 0.000000 0.000000 
1 1 1   16    0   48 o   45.017   14.249   8.0699   5.2210   8.0699   5.2210   8.0699   5.2210   45.017   20.151   45.017   20.151 0.000000 0.000000 
1 1 1   16    0   49 o  279.916   5.0402  212.855   10.766  212.855   10.766  212.855   10.766  279.916   7.1279  279.916   7.1279 0.000000 0.000000 
1 1 1   16    0   50 o   35.560   13.649   4.9962   5.2179   4.9962   5.2179   4.9962   5.2179   35.560   19.302   35.560   19.302 0.000000 0.000000 
1 1 1   16    0   51 o  103.114   7.4600   29.893   5.7374   29.893   5.7374   29.893   5.7374  103.114   10.550  103.114   10.550 0.000000 0.000000 
1 1 1   16    0   52 o  249.877   5.0359  169.936   9.5985  169.936   9.5985  169.936   9.5985  249.877   7.1218  249.877   7.1218 0.000000 0.000000 
1 1 1   16    0   53 o   67.256   12.806   14.920   5.6882   14.920   5.6882   14.920   5.6882   67.256   18.110   67.256   18.110 0.000000 0.000000 
1 1 1   16    0   54 f  121.293   6.8093   40.916   6.2201   40.916   6.2201   40.916   6.2201  121.293   9.6298  121.293   9.6298 0.000000 0.000000 
1 1 1   16    0   55 o   54.006   14.826   11.189   5.8249   11.189   5.8249   11.189   5.8249   54.006   20.967   54.006   20.967 0.000000 0.000000 
1 1 1   16    0   56 o   55.198   14.592   11.524   5.7386   11.524   5.7386   11.524   5.7386   55.198   20.637   55.198   20.637 0.000000 0.000000 
1 1 1   16    0   57 o  120.506   7.3436   40.712   6.6471   40.712   6.6471   40.712   6.6471  120.506   10.385  120.506   10.385 0.000000 0.000000 
1 1 1   16    0   58 o   68.242   14.789   16.391   6.7416   16.391   6.7416   16.391   6.7416   68.242   20.915   68.242   20.915 0.000000 0.000000 
1 1 1   16    0   59 o   26.925   12.616  -1.0204   6.8320  -1.0204   6.8320  -1.0204   6.8320   26.925   17.841   26.925   17.841 0.000000 0.000000 
1 1 1   16    0   60 o  172.021   6.4213   82.065   8.3875   82.065   8.3875   82.065   8.3875  172.021   9.0811  172.021   9.0811 0.000000 0.000000 
1 1 1   16    0   61 f  183.975   6.4749   93.668   9.0518   93.668   9.0518   93.668   9.0518  183.975   9.1569  183.975   9.1569 0.000000 0.000000 
1 1 1   16    0   62 o  150.795   7.2719   64.227   8.2904   64.227   8.2904   64.227   8.2904  150.795   10.284  150.795   10.284 0.000000 0.000000 
1 1 1   16    0   63 o  103.229   10.535   32.164   7.8075   32.164   7.8075   32.164   7.8075  103.229   14.899  103.229   14.899 0.000000 0.000000 
1 1 1   16    0   64 o   99.136   10.793   30.329   7.5999   30.329   7.5999   30.329   7.5999   99.136   15.263   99.136   15.263 0.000000 0.000000 
1 1 1   16    1    0 o  167.242   3.5452   75.573   3.2027   76.361   4.5989   74.832   4.4629  168.087   5.0633  166.396   4.9635 1.690414 7.090325 
1 1 1   16    1    1 o  226.406   3.8334  138.553   4.6895  136.456   6.6259  140.657   6.6381  224.689   5.4572  228.123   5.3850 -3.433487 7.666763 
1 1 1   16    1    2 o  274.875   4.1727  204.096   6.1943  208.158   8.9410  200.348   8.5898  277.501   5.9626  272.248   5.8389 5.253540 8.345347 
1 1 1   16    1    3 o  573.686   7.1807  890.414   22.259  884.988   31.333  895.942   31.628  571.924   10.139  575.449   10.171 -3.525879 14.36135 
1 1 1   16    1    4 o  434.715   5.7028  511.021   13.396  506.687   18.878  515.417   19.012  432.858   8.0708  436.571   8.0591 -3.713654 11.40558 
1 1 1   16    1    5 o  392.596   5.2649  416.696   11.168  420.623   15.958  412.926   15.634  394.407   7.4876  390.785   7.4035 3.621857 10.52974 
1 1 1   16    1    6 o  477.144   6.1414  615.742   15.833  619.689   22.558  611.910   22.229  478.648   8.7217  475.639   8.6488 3.009430 12.28288 
1 1 1   16    1    7 o  383.822   5.1818  398.147   10.743  405.353   15.450  391.402   14.949  387.180   7.3848  380.463   7.2711 6.716553 10.36361 
1 1 1   16    1    8 o  498.827   6.3770  673.009   17.187  678.529   24.513  667.671   24.105  500.836   9.0578  496.817   8.9790 4.018188 12.75402 
1 1 1   16    1    9 o  270.432   5.9014  197.691   8.6238   0.0000   0.0000  197.691   8.6238  ?   ?   270.432   5.9014      ?      ? 
1 1 1   16    1   10 o  449.015   5.8661  545.220   14.233  542.842   20.060  547.632   20.197  448.030   8.2858  450.001   8.3061 -1.971191 11.73224 
1 1 1   16    1   11 o  271.284   5.9951  198.935   8.7883   0.0000   0.0000  198.935   8.7883  ?   ?   271.284   5.9951      ?      ? 
1 1 1   16    1   12 o  404.023   6.6554  442.385   13.723  444.124   16.855  438.964   23.637  405.281   7.6962  402.766   10.860 2.514893 13.31090 
1 1 1   16    1   13 o  397.428   6.6283  423.478   13.290  416.952   16.067  437.613   23.647  392.698   7.5717  402.158   10.881 -9.459412 13.25650 
1 1 1   16    1   14 o  476.008   8.7539  612.724   22.517   0.0000   0.0000  612.724   22.517  ?   ?   476.008   8.7539      ?      ? 
1 1 1   16    1   15 o  1123.47   19.066  3423.42  115.744   0.0000   0.0000  3423.42  115.744  ?   ?   1123.47   19.066      ?      ? 
1 1 1   16    1   16 o  530.234   9.4716  760.316   27.138  760.316   27.138   0.0000   0.0000  530.234   9.4716  ?   ?       ?      ? 
1 1 1   16    1   17 o  842.591   10.254  1921.97   46.682  1940.08   66.494  1904.37   65.554  846.501   14.537  838.682   14.465 7.818787 20.50718 
1 1 1   16    1   18 o  883.466   10.722  2113.24   51.183  2110.63   72.134  2115.88   72.635  882.923   15.119  884.010   15.206 -1.086609 21.44300 
1 1 1   16    1   19 o  181.911   4.0516   89.506   3.9567   90.083   5.3103   88.785   5.9325  182.574   5.3826  181.249   6.0572 1.325195 8.103240 
1 1 1   16    1   21 o  512.167   6.6321  709.179   18.351  707.045   25.683  711.406   26.231  511.383   9.2943  512.952   9.4633 -1.568176 13.26420 
1 1 1   16    1   22 o  332.653   4.7810  298.859   8.5892  292.365   11.908  305.903   12.401  328.890   6.7003  336.417   6.8218 -7.526520 9.561947 
1 1 1   16    1   23 o  490.743   6.3465  650.711   16.823  665.570   24.220  636.861   23.384  496.150   9.0340  485.336   8.9162 10.81400 12.69296 
1 1 1   16    1   24 o  490.459   6.3510  650.332   16.831  646.001   23.634  654.789   23.974  488.803   8.9477  492.114   9.0155 -3.310913 12.70196 
1 1 1   16    1   25 o  479.165   6.2505  619.831   16.166  601.737   22.238  640.110   23.543  471.764   8.7234  486.565   8.9543 -14.80093 12.50105 
1 1 1   16    1   26 o  879.704   10.678  2095.38   50.753  2079.90   71.223  2111.36   72.342  876.410   15.039  882.998   15.162 -6.587646 21.35529 
1 1 1   16    1   27 o  943.512   11.411  2412.05   58.176  2398.28   81.762  2426.17   82.794  940.794   16.083  946.229   16.192 -5.435608 22.82239 
1 1 1   16    1   28 o  259.675   4.4930  182.304   6.3036  184.382   8.8721  180.185   8.9577  261.171   6.2866  258.180   6.4208 2.991669 8.985940 
1 1 1   16    1   29 o  461.041   6.1335  574.760   15.279  571.175   21.447  578.456   21.773  459.583   8.6360  462.499   8.7119 -2.916107 12.26693 
1 1 1   16    1   30 o  129.738   5.3604   45.406   3.7528   43.585   5.1444   47.478   5.4865  126.965   7.4984  132.511   7.6622 -5.546524 10.72076 
1 1 1   16    1   31 o  583.699   9.1351  922.835   27.138  922.072   47.076  923.215   33.213  583.293   14.936  584.106   10.523 -0.8121948 18.27018 
1 1 1   16    1   32 f  584.211   7.4416  923.557   23.492  920.163   33.077  927.010   33.369  583.131   10.497  585.292   10.551 -2.160767 14.88320 
1 1 1   16    1   33 o  564.351   7.2429  862.003   22.086  856.895   31.017  867.256   31.457  562.659   10.202  566.042   10.284 -3.382996 14.48581 
1 1 1   16    1   34 o  256.588   4.7814  178.027   6.6283  177.917   9.2843  178.140   9.4660  256.510   6.6982  256.667   6.8251 -0.1568298 9.562833 
1 1 1   16    1   35 o  532.151   6.9239  766.656   19.910  767.635   28.197  765.682   28.118  532.489   9.7994  531.813   9.7844 0.6764526 13.84788 
1 1 1   16    1   36 o  360.135   5.3540  350.944   10.419  351.916   14.709  349.965   14.761  360.637   7.5479  359.633   7.5955 1.004395 10.70800 
1 1 1   16    1   37 o  386.350   5.5623  403.656   11.607  415.332   16.720  392.796   16.126  391.735   7.8989  380.965   7.8337 10.77069 11.12468 
1 1 1   16    1   38 o  471.430   6.3434  601.949   16.158  599.020   22.685  604.965   23.021  470.272   8.9269  472.588   9.0146 -2.316162 12.68675 
1 1 1   16    1   39 o  326.960   5.1508  289.410   9.1002  291.664   12.896  287.174   12.844  328.229   7.2708  325.690   7.2978 2.538879 10.30162 
1 1 1   16    1   40 o  417.168   5.8520  471.190   13.185  483.888   19.029  459.466   18.286  422.560   8.3337  411.776   8.2179 10.78421 11.70405 
1 1 1   16    1   41 o  386.203   5.6172  403.639   11.710  417.133   17.041  391.566   16.119  392.295   8.0389  380.112   7.8478 12.18396 11.23435 
1 1 1   16    1   42 o  473.140   9.0219  610.805   23.065  619.369   32.628  602.252   32.608  476.486   12.672  469.794   12.845 6.692169 18.04390 
1 1 1   16    1   43 o  330.274   7.2958  296.586   12.998  294.369   17.831  299.099   18.988  329.020   10.029  331.528   10.599 -2.508575 14.59169 
1 1 1   16    1   44 o  287.017   7.0751  223.378   10.973  223.378   10.973   0.0000   0.0000  287.017   7.0751  ?   ?       ?      ? 
1 1 1   16    1   45 o  126.682   9.0719   44.505   6.1332   38.468   8.9532   49.842   8.4189  118.320   14.003  135.044   11.537 -16.72409 18.14372 
1 1 1   16    1   46 o  215.014   7.0842  126.085   8.1842  126.396   12.248  125.833   11.001  215.145   10.535  214.883   9.4739 0.2624207 14.16847 
1 1 1   16    1   47 o  145.948   7.3571   54.994   5.3992   67.050   9.9878   50.016   6.4178  156.385   11.819  135.511   8.7645 20.87448 14.71419 
1 1 1   16    1   48 o  270.946   5.0273  199.546   7.3593  203.545   10.516  195.707   10.303  273.605   7.1124  268.286   7.1068 5.318359 10.05452 
1 1 1   16    1   49 o  127.187   6.3756   44.201   4.3816   44.311   6.2236   44.092   6.1699  127.340   9.0446  127.034   8.9881 0.3060684 12.75114 
1 1 1   16    1   50 o  172.482   5.3694   81.060   5.0034   79.248   6.9946   82.959   7.1601  170.509   7.5915  174.455   7.5954 -3.945709 10.73875 
1 1 1   16    1   51 o  137.039   6.0674   51.422   4.4801   51.524   6.1133   51.305   6.5845  137.255   8.2425  136.824   8.9058 0.4309692 12.13476 
1 1 1   16    1   52 o   49.660   11.822   6.5485   3.8756   8.9204   5.3650   3.9600   5.6047   55.507   16.601   43.813   16.836 11.69352 23.64349 
1 1 1   16    1   53 o  173.459   5.4881   82.374   5.1418   82.265   7.1647   82.489   7.3834  173.374   7.6476  173.543   7.8734 -0.1688385 10.97618 
1 1 1   16    1   54 o  207.633   5.2103  117.972   5.8456  117.943   8.3029  118.001   8.2314  207.596   7.4016  207.671   7.3352 -0.7444763E-01 10.42059 
1 1 1   16    1   55 o   83.322   9.2421   19.588   4.1566   20.896   5.9687   18.357   5.7920   86.086   12.831   80.558   13.305 5.527969 18.48429 
1 1 1   16    1   56 o   56.078   12.354   9.3414   4.1504   9.9596   5.9116   8.7406   5.8284   57.632   17.469   54.523   17.475 3.108429 24.70858 
1 1 1   16    1   57 o   81.438   10.398   19.440   4.4496   21.906   6.2622   16.925   6.3235   87.789   13.201   75.088   16.070 12.70129 20.79695 
1 1 1   16    1   58 o   54.967   12.958   8.8980   4.5469   10.601   6.5121   7.2783   6.3514   58.838   18.425   51.096   18.226 7.741825 25.91630 
1 1 1   16    1   59 o   83.405   11.239   20.946   4.9180   15.620   6.8032   26.775   7.1176   70.617   17.826   96.193   13.693 -25.57684 22.47845 
1 1 1   16    1   60 o  204.707   6.0046  116.721   6.6369  110.556   9.2416  123.286   9.5374  199.055   8.5918  210.358   8.3904 -11.30267 12.00911 
1 1 1   16    1   61 o  177.290   6.7623   87.797   6.4388  101.804   9.3792   75.311   8.8550  190.929   9.0908  163.650   10.013 27.27881 13.52453 
1 1 1   16    1   62 o   43.951   12.852   3.3633   5.1928   7.4927   7.2967  -0.8744   7.3918   50.047   19.215   37.855   17.072 12.19170 25.70332 
1 1 1   16    1   63 f   40.835   12.025  -0.3103   5.0676   8.1493   7.0992  -9.0991   7.2360   51.543   19.134   30.127   14.570 21.41671 24.05008 
1 1 1   16    1   64 o   64.978   13.808   15.206   5.2356   14.778   7.2342   15.677   7.5868   64.208   19.294   65.748   19.758 -1.540001 27.61587 
1 1 1   16    2    0 o  718.507   8.8151  1397.69   34.225  1393.78   48.291  1401.63   48.513  717.500   12.455  719.515   12.477 -2.015442 17.63018 
1 1 1   16    2    1 o  546.127   6.8936  806.847   20.343  803.396   28.702  810.330   28.838  544.954   9.7468  547.300   9.7511 -2.346252 13.78715 
1 1 1   16    2    2 o  598.630   7.4677  969.670   24.156  965.378   34.071  974.010   34.254  597.299   10.556  599.962   10.566 -2.663574 14.93536 
1 1 1   16    2    3 o  696.367   8.5604  1312.81   32.211  1317.06   45.752  1308.63   45.357  697.482   12.139  695.252   12.073 2.229858 17.12081 
1 1 1   16    2    4 o  377.056   5.1470  384.406   10.486  384.631   14.949  384.188   14.711  377.162   7.3350  376.949   7.2224 0.2130737 10.29394 
1 1 1   16    2    5 o  304.259   4.4422  250.147   7.3002  253.910   10.510  246.640   10.147  306.467   6.3467  302.052   6.2170 4.415619 8.884325 
1 1 1   16    2    6 o  354.204   6.9157  339.213   13.237   0.0000   0.0000  339.213   13.237  ?   ?   354.204   6.9157      ?      ? 
1 1 1   16    2    7 o  731.761   8.9677  1449.92   35.456  1433.99   49.671  1466.48   50.626  727.670   12.632  735.853   12.732 -8.182190 17.93531 
1 1 1   16    2    8 o  537.483   9.6119  781.560   27.917   0.0000   0.0000  781.560   27.917  ?   ?   537.483   9.6119      ?      ? 
1 1 1   16    2    9 o   95.637   4.2435   24.866   2.1621   30.163   3.0963   19.825   3.0205  105.639   5.4241   85.635   6.5275 20.00349 8.486995 
1 1 1   16    2   10 o   87.349   4.5491   21.108   2.0923   25.645   2.8958   16.152   3.0265   97.405   5.5017   77.292   7.2464 20.11281 9.098283 
1 1 1   16    2   11 o  212.896   8.2129  122.568   9.4483   0.0000   0.0000  122.568   9.4483  ?   ?   212.896   8.2129      ?      ? 
1 1 1   16    2   12 o  699.479   17.322  1327.03   65.471   0.0000   0.0000  1327.03   65.471  ?   ?   699.479   17.322      ?      ? 
1 1 1   16    2   13 o  460.397   7.5206  568.986   17.328  585.360   31.263  561.726   20.818  465.025   12.441  455.770   8.4530 9.255280 15.04129 
1 1 1   16    2   14 o  260.428   6.0378  183.320   8.4967   0.0000   0.0000  183.320   8.4967  ?   ?   260.428   6.0378      ?      ? 
1 1 1   16    2   15 o  279.963   5.7674  211.841   8.7250  211.841   8.7250   0.0000   0.0000  279.963   5.7674  ?   ?       ?      ? 
1 1 1   16    2   16 o  450.349   7.5272  499.760   15.363  463.644   17.218  640.766   34.022  414.125   7.6943  486.574   12.940 -72.44852 15.05440 
1 1 1   16    2   19 o  280.642   4.4175  212.727   6.6537  211.699   8.8955  214.033   10.025  279.878   5.8818  281.406   6.5926 -1.528656 8.835032 
1 1 1   16    2   21 o  622.708   7.8231  1047.42   26.306  1082.95   38.085  1015.01   36.377  632.790   11.138  612.627   10.989 20.16296 15.64622 
1 1 1   16    2   22 o  1166.27   13.972  3686.22   88.031  3641.60  122.903  3733.23  126.151  1159.05   19.623  1173.49   19.894 -14.43774 27.94370 
1 1 1   16    2   23 o  1022.57   12.310  2832.68   68.019  2834.00   96.149  2831.35   96.239  1022.81   17.396  1022.33   17.421 0.4807739 24.61961 
1 1 1   16    2   24 o  612.534   7.6597  1014.38   25.345  1000.12   35.310  1029.54   36.401  608.099   10.746  616.969   10.919 -8.869324 15.31946 
1 1 1   16    2   25 o  436.195   5.8225  514.366   13.723  512.954   19.278  515.817   19.539  435.589   8.1901  436.800   8.2781 -1.210968 11.64496 
1 1 1   16    2   26 o  458.260   6.0556  567.487   14.989  557.365   20.832  578.351   21.583  454.029   8.4912  462.491   8.6360 -8.462646 12.11116 
1 1 1   16    2   27 o  341.655   4.9937  315.489   9.2165  312.913   12.852  318.217   13.225  340.221   6.9905  343.089   7.1332 -2.867615 9.987496 
1 1 1   16    2   28 o  487.662   6.3895  642.666   16.829  659.276   24.264  627.268   23.362  493.726   9.0946  481.598   8.9771 12.12799 12.77895 
1 1 1   16    2   29 o  566.641   7.2272  868.469   22.127  877.719   31.538  859.501   31.053  569.611   10.246  563.671   10.195 5.939209 14.45438 
1 1 1   16    2   30 o  950.141   11.518  2447.43   59.131  2461.68   84.081  2433.48   83.175  952.869   16.330  947.412   16.247 5.457092 23.03505 
1 1 1   16    2   31 o  541.736   7.0025  792.821   20.479  820.195   29.768  768.225   28.218  550.593   10.005  532.879   9.7995 17.71417 14.00493 
1 1 1   16    2   32 f  655.760   8.2229  1163.88   29.135  1178.19   41.592  1150.10   40.824  659.711   11.667  651.808   11.591 7.902100 16.44588 
1 1 1   16    2   33 o  361.921   5.3584  352.228   10.448  382.982   15.508  326.662   14.139  376.303   7.6266  347.539   7.5290 28.76389 10.71690 
1 1 1   16    2   34 o  219.032   4.8348  129.827   5.7103  140.485   8.1208  119.403   8.0312  227.937   6.5932  210.127   7.0731 17.80949 9.669500 
1 1 1   16    2   35 o  235.665   4.8427  150.295   6.1631  153.481   8.6240  146.969   8.8107  238.224   6.6994  233.105   6.9947 5.118820 9.685478 
1 1 1   16    2   36 f  409.710   5.7832  453.529   12.788  438.973   17.564  469.949   18.655  402.736   8.0709  416.684   8.2851 -13.94830 11.56646 
1 1 1   16    2   37 o  138.993   5.7639   52.618   4.3021   57.424   5.9636   47.403   6.2122  145.669   7.5763  132.316   8.6885 13.35310 11.52779 
1 1 1   16    2   38 o  555.848   7.1925  837.391   21.601  847.793   30.835  827.367   30.270  559.231   10.204  552.465   10.139 6.766174 14.38510 
1 1 1   16    2   39 o  275.121   4.9214  204.900   7.3161  206.849   10.333  202.941   10.360  276.436   6.9173  273.807   7.0024 2.629517 9.842875 
1 1 1   16    2   40 o  421.440   8.2521  482.441   18.786  498.423   26.953  467.342   26.198  428.228   11.648  414.652   11.692 13.57620 16.50411 
1 1 1   16    2   41 o  377.573   7.7207  387.559   15.745  389.640   21.966  385.360   22.580  378.653   10.736  376.493   11.099 2.160095 15.44144 
1 1 1   16    2   42 o  101.463   9.6783   27.325   5.2179   21.660   6.7979   35.450   8.1408   88.991   14.136  113.935   13.223 -24.94441 19.35661 
1 1 1   16    2   43 o  475.467   6.4244  613.972   16.504  609.989   23.115  618.114   23.571  473.911   9.0261  477.024   9.1444 -3.112610 12.84877 
1 1 1   16    2   44 o  234.956   4.8849  149.751   6.1978  156.026   8.7600  143.461   8.7699  239.905   6.7573  230.008   7.0561 9.897156 9.769889 
1 1 1   16    2   45 o  178.103   6.3860   86.229   5.7352   86.065   6.9561   86.577   10.135  178.068   7.2292  178.138   10.529 -0.7011414E-01 12.77195 
1 1 1   16    2   46 o  273.482   7.1997  203.362   10.591  211.577   15.878  196.779   14.214  278.337   10.557  268.628   9.7925 9.709015 14.39949 
1 1 1   16    2   47 o  243.475   7.1590  162.161   9.3905  158.491   13.733  165.383   12.869  240.769   10.555  246.181   9.6741 -5.411179 14.31804 
1 1 1   16    2   48 o  100.227   9.9064   26.760   4.9165   30.518   9.2272   25.271   5.8099  104.510   16.339   95.944   11.206 8.565613 19.81271 
1 1 1   16    2   49 f  347.427   5.4180  328.825   10.171  329.843   14.337  327.792   14.432  347.983   7.6244  346.871   7.6999 1.111511 10.83608 
1 1 1   16    2   50 o  173.840   5.3448   82.438   5.0129   88.054   7.1103   76.888   7.0685  179.779   7.3192  167.901   7.7909 11.87753 10.68965 
1 1 1   16    2   51 o  230.400   5.0046  144.748   6.2289  145.301   8.7135  144.170   8.9079  230.878   6.9843  229.923   7.1697 0.9549255 10.00925 
1 1 1   16    2   52 o  147.353   5.8387   59.390   4.6464   57.500   6.4406   61.441   6.7097  144.919   8.2245  149.786   8.2898 -4.867355 11.67748 
1 1 1   16    2   53 o   81.919   9.8300   19.996   4.0587   27.531   5.6946   12.216   5.7864   99.714   10.569   64.123   16.578 35.59145 19.66001 
1 1 1   16    2   54 o   55.128   11.626   8.5371   3.9311   4.6482   5.4375   12.796   5.6900   44.686   16.715   65.570   16.163 -20.88379 23.25102 
1 1 1   16    2   55 o  245.309   5.1295  164.784   6.7969  171.283   9.7285  158.586   9.5002  250.058   7.1998  240.561   7.3083 9.496567 10.25907 
1 1 1   16    2   56 o   85.087   9.8708   21.196   4.3101   15.295   6.0139   27.429   6.1804   71.356   15.993   98.818   11.574 -27.46141 19.74162 
1 1 1   16    2   57 o  170.190   5.8379   79.662   5.3551   72.062   7.3933   88.050   7.7672  161.584   8.4674  178.797   8.0392 -17.21288 11.67590 
1 1 1   16    2   58 o  153.209   6.3951   65.161   5.2685   74.105   7.6030   56.899   7.3074  163.515   8.6048  142.904   9.4630 20.61115 12.79028 
1 1 1   16    2   59 o   65.650   12.634   13.466   4.7437   17.753   6.7868   9.3709   6.6331   75.689   17.008   55.610   18.687 20.07917 25.26831 
1 1 1   16    2   60 o  124.540   8.1326   44.373   5.4043   53.442   7.7996   35.998   7.4951  137.361   10.508  111.720   12.415 25.64053 16.26522 
1 1 1   16    2   61 o  208.076   8.7969  120.679   9.8910   0.0000   0.0000  120.679   9.8910  ?   ?   208.076   8.7969      ?      ? 
1 1 1   16    2   62 f   98.826   11.011   30.679   5.4677   43.568   8.0651   19.718   7.4379  121.212   12.313   76.440   18.258 44.77210 22.02203 
1 1 1   16    2   63 o   41.729   12.507   2.6276   4.8942   1.9964   7.0714   3.2079   6.7806   41.097   17.667   42.361   17.710 -1.263680 25.01497 
1 1 1   16    2   64 o   41.034   12.222   1.0533   5.0582   8.2899   7.3118  -5.5884   7.0048   50.406   19.262   31.663   15.048 18.74301 24.44369 
1 1 1   16    3    0 o  1000.57   12.054  2714.31   65.146  2669.47   90.592  2762.33   93.749  992.051   16.899  1009.09   17.193 -17.03870 24.10771 
1 1 1   16    3    1 f  610.018   7.6130  1006.88   25.093  996.654   35.203  1017.45   35.777  606.871   10.735  613.165   10.798 -6.293396 15.22606 
1 1 1   16    3    2 o  246.559   4.0466  164.352   5.3904  161.536   7.6462  167.134   7.6005  244.458   5.7883  248.660   5.6565 -4.201889 8.093229 
1 1 1   16    3    3 f  199.784   3.7843  107.753   4.0815  110.764   5.9294  105.042   5.6267  202.432   5.4206  197.136   5.2821 5.295395 7.568553 
1 1 1   16    3    4 o  185.597   5.2525   93.106   5.2677   0.0000   0.0000   93.106   5.2677  ?   ?   185.597   5.2525      ?      ? 
1 1 1   16    3    6 o  360.900   5.0058  352.141   9.7606  353.707   13.943  350.635   13.669  361.685   7.1340  360.115   7.0242 1.569763 10.01159 
1 1 1   16    3    7 o  464.066   8.5161  582.464   21.355   0.0000   0.0000  582.464   21.355  ?   ?   464.066   8.5161      ?      ? 
1 1 1   16    3    8 f  272.940   4.2866  201.057   6.3115  206.638   9.2456  196.186   8.6371  276.478   6.1885  269.401   5.9331 7.077637 8.573169 
1 1 1   16    3    9 o  666.630   8.2461  1202.85   29.704  1197.09   41.906  1208.66   42.111  665.027   11.661  668.234   11.662 -3.206726 16.49212 
1 1 1   16    3   10 o  425.030   5.6948  488.528   13.079  484.969   18.542  492.052   18.450  423.487   8.1028  426.573   8.0042 -3.085876 11.38957 
1 1 1   16    3   11 f  646.792   9.9490  1117.20   32.144  1092.18   38.476  1175.00   58.484  635.278   11.208  658.307   16.441 -23.02917 19.89791 
1 1 1   16    3   12 o  577.381   7.2768  901.552   22.696  914.817   32.595  889.066   31.622  581.496   10.373  573.266   10.208 8.230469 14.55365 
1 1 1   16    3   13 o  425.789   7.1531  490.359   15.304  490.540   27.221  490.275   18.505  425.755   11.832  425.823   8.0422 -0.6875610E-01 14.30626 
1 1 1   16    3   14 o  452.222   5.9294  552.964   14.479  553.247   20.109  552.660   20.865  452.348   8.2268  452.095   8.5410 0.2526550 11.85871 
1 1 1   16    3   15 o  251.093   6.3748  170.416   8.6495   0.0000   0.0000  170.416   8.6495  ?   ?   251.093   6.3748      ?      ? 
1 1 1   16    3   20 f  384.474   7.8724  399.576   16.355   0.0000   0.0000  399.576   16.355  ?   ?   384.474   7.8724      ?      ? 
1 1 1   16    3   22 o  523.333   6.6838  740.191   18.896  754.888   27.125  726.335   26.338  528.375   9.5003  518.290   9.4041 10.08472 13.36764 
1 1 1   16    3   23 o  1107.15   13.291  3322.11   79.515  3316.78  112.260  3327.48  112.644  1106.26   18.779  1108.04   18.813 -1.776733 26.58204 
1 1 1   16    3   24 o  780.498   9.5417  1648.56   40.243  1649.04   56.901  1648.08   56.922  780.613   13.490  780.383   13.498 0.2301025 19.08338 
1 1 1   16    3   25 o  389.530   5.3642  410.114   11.290  417.115   16.077  403.302   15.858  392.810   7.5742  386.250   7.5981 6.559448 10.72847 
1 1 1   16    3   26 o  772.914   9.4773  1616.90   39.579  1604.56   55.520  1629.66   56.437  769.921   13.345  775.906   13.461 -5.984436 18.95460 
1 1 1   16    3   27 o  385.402   5.3948  401.370   11.232  412.819   16.102  390.519   15.676  390.752   7.6258  380.052   7.6329 10.70059 10.78952 
1 1 1   16    3   28 o  293.056   4.7205  232.135   7.4722  231.189   10.410  233.140   10.732  292.442   6.5875  293.670   6.7629 -1.227692 9.441012 
1 1 1   16    3   29 o  223.242   4.4857  134.361   5.4011  129.226   7.3697  140.320   7.9385  218.647   6.2376  227.836   6.4480 -9.188934 8.971342 
1 1 1   16    3   30 o  318.226   4.9601  273.724   8.5259  271.598   11.869  275.990   12.255  316.953   6.9298  319.500   7.0986 -2.547058 9.920291 
1 1 1   16    3   31 o  420.348   5.8470  477.844   13.281  482.904   18.798  472.802   18.765  422.571   8.2323  418.125   8.3054 4.446411 11.69401 
1 1 1   16    3   32 o  670.604   8.3929  1216.66   30.396  1244.86   43.899  1190.69   42.129  678.049   11.981  663.158   11.756 14.89124 16.78585 
1 1 1   16    3   33 o  159.164   7.6583   68.518   6.5866   0.0000   0.0000   68.518   6.5866  ?   ?   159.164   7.6583      ?      ? 
1 1 1   16    3   34 o  346.463   5.2636  323.499   9.8271  310.073   13.314  339.567   14.565  338.602   7.2767  354.324   7.6073 -15.72171 10.52721 
1 1 1   16    3   35 o  722.255   8.9799  1413.96   35.034  1440.87   50.381  1388.77   48.751  728.885   12.791  715.625   12.607 13.26062 17.95971 
1 1 1   16    3   36 o  645.273   8.1410  1128.07   28.372  1154.69   40.937  1103.46   39.357  652.573   11.609  637.971   11.416 14.60211 16.28204 
1 1 1   16    3   37 o  325.602   5.1765  286.447   9.1007  301.264   13.156  272.849   12.603  333.667   7.2966  317.538   7.3447 16.12848 10.35306 
1 1 1   16    3   38 o  408.346   8.0102  452.537   17.672  458.784   24.874  446.171   25.111  411.212   11.194  405.479   11.461 5.732605 16.02040 
1 1 1   16    3   39 o  142.532   7.2896   55.187   5.5714   55.653   7.4505   54.595   8.3913  143.255   9.6247  141.809   10.951 1.446228 14.57911 
1 1 1   16    3   40 o  304.085   6.8629  249.171   11.210  236.036   14.917  266.216   16.993  294.986   9.3583  313.185   10.041 -18.19833 13.72573 
1 1 1   16    3   41 o  324.409   6.2825  283.959   10.348  280.997   12.603  290.090   18.131  322.051   7.2420  326.767   10.268 -4.716064 12.56497 
1 1 1   16    3   42 o  265.499   4.8824  190.838   6.9984  186.877   9.6586  195.217   10.154  262.613   6.8063  268.386   7.0017 -5.773071 9.764719 
1 1 1   16    3   43 o  172.480   5.1625   80.905   4.7941   84.388   6.5983   77.010   6.9772  176.455   6.9200  168.505   7.6627 7.949600 10.32490 
1 1 1   16    3   44 o  272.981   4.9693  201.870   7.3219  215.840   10.532  188.801   10.187  282.129   6.9081  263.832   7.1451 18.29666 9.938527 
1 1 1   16    3   45 o  334.575   5.2782  303.923   9.5415  310.370   13.580  297.636   13.409  338.086   7.4331  331.064   7.4956 7.022125 10.55631 
1 1 1   16    3   46 o  132.804   7.5701   45.922   4.9865   42.781   5.8827   53.941   9.3987  125.369   8.6836  140.239   12.402 -14.87054 15.14024 
1 1 1   16    3   47 o  183.575   7.6879   92.107   7.6183   94.887   11.084   89.617   10.489  186.166   11.018  180.984   10.725 5.181458 15.37575 
1 1 1   16    3   48 o  202.204   7.5206  112.133   8.1943  111.734   12.033  112.478   11.190  201.756   11.037  202.653   10.218 -0.8975677 15.04123 
1 1 1   16    3   49 o   95.971   8.1398   25.360   4.1965   21.900   5.8395   29.056   6.0347   89.101   12.128  102.841   10.859 -13.73971 16.27963 
1 1 1   16    3   50 o  239.456   5.0004  156.136   6.4657  164.213   9.2164  148.308   9.0730  245.586   6.9450  233.325   7.1962 12.26160 10.00089 
1 1 1   16    3   51 o  225.432   5.0717  138.647   6.1744  144.541   8.7502  132.802   8.7138  230.246   7.0330  220.618   7.3093 9.628098 10.14342 
1 1 1   16    3   52 o  175.521   5.4476   84.387   5.1547   90.553   7.2673   78.144   7.3127  182.070   7.3867  168.973   8.0089 13.09644 10.89520 
1 1 1   16    3   53 o   64.450   11.335   12.115   3.9801   9.0795   5.4005   15.723   5.8885   55.746   16.652   73.155   15.384 -17.40936 22.67036 
1 1 1   16    3   54 o  236.747   5.1121  153.284   6.5370  159.840   9.3540  147.026   9.1391  241.721   7.1613  231.774   7.2971 9.946854 10.22413 
1 1 1   16    3   55 o  141.216   6.2555   55.034   4.7722   55.574   6.6927   54.476   6.8065  141.960   8.7246  140.472   8.9670 1.488266 12.51105 
1 1 1   16    3   56 o  103.134   8.0165   29.857   4.4647   30.624   6.2624   29.064   6.3670  104.566   11.083  101.703   11.585 2.863472 16.03306 
1 1 1   16    3   57 o  124.430   7.1058   43.208   4.7389   50.181   6.7857   36.569   6.6211  134.506   9.3360  114.355   10.715 20.15085 14.21160 
1 1 1   16    3   58 o   44.251   12.311   3.5729   4.4734   6.8765   6.3984   0.4140   6.2567   50.242   18.245   38.261   16.533 11.98117 24.62151 
1 1 1   16    3   59 o  104.904   9.0904   31.736   5.1483   31.648   7.4313   31.818   7.1391  104.613   13.146  105.195   12.559 -0.5824509 18.18089 
1 1 1   16    3   60 o   50.409   13.397   6.2738   5.2133   10.628   7.3629   1.8969   7.3824   58.221   19.688   42.597   18.174 15.62390 26.79351 
1 1 1   16    3   62 o   54.443   12.251   7.5191   5.2918   19.027   7.4042  -4.4964   7.5658   74.582   18.469   34.304   16.100 40.27830 24.50128 
1 1 1   16    3   63 o   53.187   13.897   8.9199   5.2831   8.8564   7.4197   8.9852   7.5243   53.037   19.587   53.336   19.719 -0.2994385 27.79348 
1 1 1   16    3   64 o  114.561   10.391   42.116   5.7496   60.032   8.2487   25.187   8.0185  143.099   10.668   86.024   17.835 57.07489 20.78214 
1 1 1   16    4    1 o  519.180   6.6420  729.189   18.633  731.006   26.495  727.410   26.209  519.817   9.4326  518.542   9.3538 1.274597 13.28409 
1 1 1   16    4    2 o  354.112   4.9892  339.020   9.5453  340.348   13.634  337.743   13.368  354.790   7.1115  353.434   6.9997 1.356140 9.978429 
1 1 1   16    4    3 o  584.227   7.3478  923.294   23.191  907.989   32.353  939.468   33.259  579.254   10.336  589.200   10.446 -9.945679 14.69564 
1 1 1   16    4    4 o  548.246   6.9539  813.206   20.600  806.604   28.992  819.938   29.277  545.999   9.8264  550.492   9.8420 -4.493408 13.90771 
1 1 1   16    4    5 o  444.742   5.8615  534.706   14.083  524.178   19.651  545.822   20.193  440.245   8.2606  449.239   8.3182 -8.994171 11.72304 
1 1 1   16    4    6 o  229.876   5.6465  142.837   7.0139   0.0000   0.0000  142.837   7.0139  ?   ?   229.876   5.6465      ?      ? 
1 1 1   16    4    8 o  643.166   11.296  1119.55   39.258   0.0000   0.0000  1119.55   39.258  ?   ?   643.166   11.296      ?      ? 
1 1 1   16    4    9 o  705.778   8.7018  1348.31   33.183  1334.12   46.530  1363.00   47.337  702.005   12.266  709.552   12.346 -7.546936 17.40359 
1 1 1   16    4   10 o  294.974   9.4979  235.360   15.139   0.0000   0.0000  235.360   15.139  ?   ?   294.974   9.4979      ?      ? 
1 1 1   16    4   11 o  500.618   9.1233  677.835   24.680   0.0000   0.0000  677.835   24.680  ?   ?   500.618   9.1233      ?      ? 
1 1 1   16    4   12 o  740.289   11.169  1498.51   42.562  1439.64   71.386  1530.98   53.016  728.564   18.132  752.014   13.046 -23.45050 22.33814 
1 1 1   16    4   13 o  514.593   8.2774  703.727   21.125  685.126   25.121  748.649   39.039  503.333   9.2363  525.854   13.739 -22.52127 16.55489 
1 1 1   16    4   15 o   89.173   9.6551   21.505   4.6524   0.0000   0.0000   21.505   4.6524  ?   ?    89.173   9.6551      ?      ? 
1 1 1   16    4   16 o  434.940   8.4431  511.464   19.844   0.0000   0.0000  511.464   19.844  ?   ?   434.940   8.4431      ?      ? 
1 1 1   16    4   19 o  552.977   14.246  827.477   42.568   0.0000   0.0000  827.477   42.568  ?   ?   552.977   14.246      ?      ? 
1 1 1   16    4   20 o  445.821   8.7464  537.333   21.071   0.0000   0.0000  537.333   21.071  ?   ?   445.821   8.7464      ?      ? 
1 1 1   16    4   21 o  907.444   15.657  2229.48   76.774   0.0000   0.0000  2229.48   76.774  ?   ?   907.444   15.657      ?      ? 
1 1 1   16    4   22 o  334.283   6.1533  300.232   10.252  306.982   18.608  297.290   12.285  336.922   10.220  331.644   6.8552 5.278137 12.30655 
1 1 1   16    4   23 o  672.991   8.3544  1225.21   30.382  1223.66   42.897  1226.77   43.035  672.565   11.803  673.417   11.826 -0.8518677 16.70874 
1 1 1   16    4   24 o  517.434   6.6594  723.964   18.620  724.415   26.300  723.511   26.365  517.597   9.4031  517.272   9.4325 0.3244019 13.31874 
1 1 1   16    4   25 o  570.800   7.2326  881.181   22.308  885.013   31.625  877.386   31.472  572.035   10.231  569.566   10.226 2.469788 14.46510 
1 1 1   16    4   26 o  413.414   8.0162  462.100   17.908   0.0000   0.0000  462.100   17.908  ?   ?   413.414   8.0162      ?      ? 
1 1 1   16    4   27 o  218.781   4.3090  129.474   5.0884  131.605   7.0650  127.176   7.3348  220.656   5.9252  216.906   6.2579 3.749985 8.618016 
1 1 1   16    4   28 o  432.079   8.2314  504.817   19.219  504.817   19.219   0.0000   0.0000  432.079   8.2314  ?   ?       ?      ? 
1 1 1   16    4   29 o  269.135   4.6802  195.675   6.8027  205.031   9.7499  186.801   9.4961  275.400   6.5516  262.869   6.6853 12.53113 9.360387 
1 1 1   16    4   30 o  515.394   6.7322  718.212   18.744  734.465   26.901  702.875   26.131  521.056   9.5542  509.732   9.4871 11.32391 13.46431 
1 1 1   16    4   32 o  414.679   5.8141  464.857   13.024  476.761   18.692  453.623   18.158  419.835   8.2394  409.523   8.2053 10.31256 11.62822 
1 1 1   16    4   33 o  240.529   6.9505  156.449   9.0338   0.0000   0.0000  156.449   9.0338  ?   ?   240.529   6.9505      ?      ? 
1 1 1   16    4   34 o   95.500   7.5793   24.905   3.8683   26.424   5.2024   23.028   5.7851   98.801   9.7443   92.199   11.612 6.602768 15.15867 
1 1 1   16    4   35 o  413.646   6.9852  458.231   14.795  479.504   25.634  447.604   18.118  420.612   11.278  406.679   8.2447 13.93369 13.97044 
1 1 1   16    4   36 o  312.043   6.8259  263.518   11.500  279.279   16.506  248.649   16.031  321.114   9.5122  302.971   9.7922 18.14285 13.65175 
1 1 1   16    4   37 o  356.818   7.3275  345.109   14.125  354.504   20.029  335.811   19.924  361.662   10.248  351.973   10.476 9.689301 14.65494 
1 1 1   16    4   38 o  459.638   8.6699  573.772   21.527  570.270   30.021  577.477   30.884  458.222   12.124  461.054   12.396 -2.831970 17.33973 
1 1 1   16    4   39 o  194.927   5.0466  102.821   5.3021  102.092   7.2320  103.667   7.7963  194.195   6.8918  195.659   7.3740 -1.464310 10.09316 
1 1 1   16    4   40 o  227.378   4.8991  140.149   6.0081  150.354   8.5119  130.016   8.4817  235.654   6.6845  219.103   7.1639 16.55090 9.798120 
1 1 1   16    4   41 o  436.416   6.0517  516.444   14.268  528.078   20.449  505.408   19.918  441.200   8.5773  431.633   8.5395 9.566406 12.10345 
1 1 1   16    4   42 o  100.309   7.4254   27.728   3.9727   30.962   5.4323   24.010   5.8247  106.746   9.4177   93.872   11.483 12.87423 14.85088 
1 1 1   16    4   43 f  500.519   6.6755  680.505   18.048  696.248   25.948  665.749   25.121  506.109   9.4878  494.929   9.3931 11.17950 13.35101 
1 1 1   16    4   44 o  278.137   4.9824  209.721   7.4838  220.276   10.715  199.668   10.457  284.979   6.9583  271.294   7.1330 13.68442 9.964863 
1 1 1   16    4   45 o  320.103   5.1838  278.079   8.9637  287.738   12.834  268.880   12.525  325.534   7.2958  314.671   7.3659 10.86328 10.36753 
1 1 1   16    4   46 o  237.524   4.9758  153.382   6.3779  160.713   8.9580  145.846   9.0828  243.324   6.8130  231.725   7.2537 11.59926 9.951512 
1 1 1   16    4   47 o  364.415   6.8082  366.590   12.701  375.618   15.746  349.775   21.490  371.553   7.8425  357.278   11.131 14.27429 13.61635 
1 1 1   16    4   48 o   54.517   12.690   2.5577   5.7575   17.200   8.3333 -10.8153   7.9638   76.371   19.968   32.664   15.666 43.70650 25.37983 
1 1 1   16    4   49 o  144.815   8.8341   58.113   6.8918   54.189   9.8851   61.824   9.6135  139.891   13.077  149.740   11.881 -9.848053 17.66818 
1 1 1   16    4   50 o  166.143   5.6329   75.242   5.0427   73.755   6.8482   77.004   7.4530  164.408   7.7084  167.878   8.2158 -3.470032 11.26581 
1 1 1   16    4   51 o  100.173   7.9589   28.273   4.2163   33.473   5.8217   22.537   6.1145  110.330   9.7650   90.016   12.571 20.31430 15.91773 
1 1 1   16    4   52 f  179.052   5.3715   87.660   5.1940   87.372   7.2165   87.970   7.4815  178.782   7.4699  179.322   7.7209 -0.5399170 10.74300 
1 1 1   16    4   53 o  125.868   6.5919   43.794   4.4623   45.627   6.1066   41.694   6.5365  128.842   8.7710  122.895   9.8430 5.947914 13.18388 
1 1 1   16    4   54 o  162.800   5.7124   72.728   5.0204   71.675   6.9285   73.893   7.2848  161.606   7.9340  163.994   8.2206 -2.388092 11.42487 
1 1 1   16    4   55 o  119.660   7.1008   39.889   4.5752   41.850   6.3218   37.732   6.6297  122.923   9.5175  116.396   10.541 6.526779 14.20160 
1 1 1   16    4   56 o  144.049   6.4943   57.665   5.0297   64.046   7.1034   51.248   7.1227  152.275   8.6327  135.824   9.7047 16.45131 12.98869 
1 1 1   16    4   57 o  182.911   5.7432   92.160   5.6729   95.746   8.1989   88.866   7.8575  186.310   8.1439  179.511   8.1003 6.799088 11.48643 
1 1 1   16    4   58 o  123.902   7.9700   43.380   5.3259   40.482   7.5407   46.264   7.5233  119.578   11.670  128.226   10.858 -8.648170 15.94002 
1 1 1   16    4   59 o  103.217   9.7791   31.191   5.4432   33.162   7.6755   29.197   7.7205  106.796   13.300   99.637   14.340 7.158951 19.55823 
1 1 1   16    4   61 o   58.468   19.979   10.769   7.5829   10.769   7.5829   0.0000   0.0000   58.468   19.979  ?   ?       ?      ? 
1 1 1   16    4   62 o  105.831   10.108   34.915   5.6565   39.882   7.7364   29.209   8.2914  115.649   12.380   96.013   15.981 19.63645 20.21528 
1 1 1   16    4   63 o  173.006   6.8918   85.834   6.4117   94.433   9.0284   77.084   9.1070  182.328   9.1637  163.684   10.296 18.64413 13.78358 
1 1 1   16    5    0 o  530.240   9.5767  760.661   27.440   0.0000   0.0000  760.661   27.440  ?   ?   530.240   9.5767      ?      ? 
1 1 1   16    5    1 o  112.320   5.8673   34.103   3.5611   0.0000   0.0000   34.103   3.5611  ?   ?   112.320   5.8673      ?      ? 
1 1 1   16    5    2 o  589.103   10.541  939.170   33.556  939.170   33.556   0.0000   0.0000  589.103   10.541  ?   ?       ?      ? 
1 1 1   16    5    3 o  635.756   7.9461  1093.84   27.295  1081.90   38.268  1106.21   38.944  632.227   11.201  639.285   11.274 -7.057434 15.89226 
1 1 1   16    5    4 o  490.511   6.3852  650.157   16.914  632.484   23.431  669.389   24.442  483.561   8.9670  497.461   9.0926 -13.89993 12.77038 
1 1 1   16    5    6 o  342.193   4.9414  316.603   9.1366  313.512   12.951  319.667   12.892  340.529   7.0381  343.858   6.9381 -3.329346 9.882880 
1 1 1   16    5    7 o  587.618   7.4164  933.987   23.542  945.598   33.790  923.035   32.818  591.158   10.578  584.077   10.398 7.080872 14.83280 
1 1 1   16    5    8 o  368.092   5.1814  366.355   10.305  364.634   14.653  368.039   14.495  367.235   7.3842  368.950   7.2706 -1.714691 10.36280 
1 1 1   16    5    9 o   98.514   13.599   26.284   7.2392   0.0000   0.0000   26.284   7.2392  ?   ?    98.514   13.599      ?      ? 
1 1 1   16    5   10 o  744.099   9.1562  1496.52   36.770  1451.07   50.491  1547.83   53.654  732.114   12.763  756.084   13.132 -23.96997 18.31243 
1 1 1   16    5   11 o  1011.79   15.123  2750.27   76.534  2860.36  138.512  2701.88   91.825  1025.24   25.002  998.348   17.021 26.89191 30.24597 
1 1 1   16    5   12 o  1203.44   14.442  3930.22   93.906  3900.76  131.835  3960.56  133.792  1198.88   20.350  1207.99   20.496 -9.115479 28.88305 
1 1 1   16    5   13 o  136.816   6.5675   48.931   3.7293   48.022   4.0999   53.288   8.9768  133.296   5.6920  140.336   11.838 -7.040054 13.13497 
1 1 1   16    5   15 o  982.568   16.836  2615.63   89.389   0.0000   0.0000  2615.63   89.389  ?   ?   982.568   16.836      ?      ? 
1 1 1   16    5   16 o  484.554   9.2054  634.855   24.103   0.0000   0.0000  634.855   24.103  ?   ?   484.554   9.2054      ?      ? 
1 1 1   16    5   17 o  192.587   6.9176  100.251   7.1990   0.0000   0.0000  100.251   7.1990  ?   ?   192.587   6.9176      ?      ? 
1 1 1   16    5   18 o  547.616   10.150  810.888   30.035   0.0000   0.0000  810.888   30.035  ?   ?   547.616   10.150      ?      ? 
1 1 1   16    5   22 o  933.002   16.064  2362.54   80.989  2353.60  114.063  2371.62  115.014  931.232   22.667  934.771   22.770 -3.538574 32.12894 
1 1 1   16    5   23 o  488.319   7.9419  640.659   19.495  656.757   34.857  633.333   23.517  492.654   13.094  483.983   8.9920 8.670349 15.88384 
1 1 1   16    5   24 o  179.865   4.0171   87.320   3.9013   84.634   5.3883   90.279   5.6558  176.962   5.6349  182.767   5.7268 -5.805557 8.034183 
1 1 1   16    5   25 o  507.241   6.5975  695.780   18.083  698.328   25.654  693.264   25.494  508.163   9.3424  506.318   9.3180 1.844543 13.19491 
1 1 1   16    5   26 o  399.994   7.8651  432.595   17.000   0.0000   0.0000  432.595   17.000  ?   ?   399.994   7.8651      ?      ? 
1 1 1   16    5   27 o  438.749   8.4170  520.551   19.955   0.0000   0.0000  520.551   19.955  ?   ?   438.749   8.4170      ?      ? 
1 1 1   16    5   28 o  580.982   10.461  913.170   32.841  913.170   32.841   0.0000   0.0000  580.982   10.461  ?   ?       ?      ? 
1 1 1   16    5   29 o  185.421   6.7917   92.948   6.8049   0.0000   0.0000   92.948   6.8049  ?   ?   185.421   6.7917      ?      ? 
1 1 1   16    5   30 o  413.363   5.7817  461.341   12.903  480.922   18.720  443.619   17.810  421.704   8.2152  405.022   8.1376 16.68112 11.56330 
1 1 1   16    5   31 o  568.597   7.3063  871.348   22.387  921.095   33.192  829.833   30.322  583.408   10.529  553.785   10.133 29.62262 14.61265 
1 1 1   16    5   32 o  676.643   8.4716  1239.68   30.967  1260.34   44.433  1220.16   43.181  682.112   12.055  671.173   11.906 10.93958 16.94320 
1 1 1   16    5   33 o  567.696   10.167  871.602   31.132  912.612   45.758  836.261   42.478  580.062   14.599  555.331   14.156 24.73053 20.33461 
1 1 1   16    5   34 o  616.037   10.926  1027.08   36.281  1081.08   53.638  981.531   49.261  630.853   15.734  601.222   15.163 29.63147 21.85140 
1 1 1   16    5   35 o  500.436   9.1856  678.509   24.816  704.730   36.074  654.955   34.191  509.580   13.101  491.292   12.879 18.28848 18.37123 
1 1 1   16    5   36 o  166.313   6.0401   77.231   5.2008   84.793   6.6794   65.586   8.2883  177.034   6.9822  155.592   9.8580 21.44237 12.08024 
1 1 1   16    5   37 o  418.740   5.8863  472.188   13.278  508.137   19.755  442.568   17.932  433.184   8.4395  404.295   8.2080 28.88913 11.77268 
1 1 1   16    5   38 o  177.304   5.0748   85.512   4.8369   93.877   6.7641   76.759   6.9192  186.242   6.7212  168.367   7.6052 17.87517 10.14957 
1 1 1   16    5   39 o  232.762   4.8075  146.772   6.0412  149.430   8.4137  143.942   8.6797  234.951   6.6270  230.573   6.9664 4.378006 9.614997 
1 1 1   16    5   40 o  500.305   6.6705  677.333   18.003  711.696   26.426  647.576   24.591  512.085   9.5501  488.526   9.3156 23.55911 13.34104 
1 1 1   16    5   41 o  166.833   5.2264   75.630   4.6967   78.246   6.4612   72.698   6.8391  169.926   7.0366  163.741   7.7296 6.185059 10.45279 
1 1 1   16    5   42 o  424.304   5.9610  488.619   13.667  492.194   19.387  485.087   19.270  425.848   8.4248  422.760   8.4355 3.088104 11.92205 
1 1 1   16    5   43 o  225.477   4.9459  137.953   6.0210  142.350   8.4411  133.399   8.5909  229.157   6.8167  221.796   7.1680 7.361038 9.891813 
1 1 1   16    5   44 o   54.524   11.447   8.3810   3.7052   10.419   4.9950   5.8877   5.5249   60.349   15.297   48.699   17.033 11.65019 22.89338 
1 1 1   16    5   45 o  124.915   9.3796   42.513   6.3312   0.0000   0.0000   42.513   6.3312  ?   ?   124.915   9.3796      ?      ? 
1 1 1   16    5   46 o  103.650   7.3365   29.106   4.0889   26.957   5.4613   31.847   6.1681   99.355   10.172  107.946   10.575 -8.590569 14.67299 
1 1 1   16    5   47 o  235.342   5.0183  150.568   6.3729  150.643   8.7861  150.484   9.2578  235.442   6.9060  235.241   7.2829 0.2012024 10.03659 
1 1 1   16    5   48 f  120.042   10.537   40.122   6.8342   40.203   9.7549   40.045   9.5776  120.130   15.027  119.954   14.776 0.1757278 21.07489 
1 1 1   16    5   49 o  156.037   8.8601   67.067   7.4556   72.613   10.936   62.252   10.191  162.051   12.489  150.023   12.571 12.02788 17.72014 
1 1 1   16    5   50 o   94.463   11.027   21.848   5.1326   39.122   9.4966   14.721   6.1003  118.058   14.886   70.869   16.273 47.18910 22.05483 
1 1 1   16    5   51 o   71.336   10.778   14.862   4.0179   15.032   5.4636   14.661   5.9293   71.979   14.547   70.693   15.906 1.285980 21.55553 
1 1 1   16    5   52 o  132.879   6.4463   48.315   4.6158   45.104   6.2513   52.165   6.8443  128.071   9.0331  137.687   9.1992 -9.616089 12.89269 
1 1 1   16    5   53 o   43.811   11.902   4.0594   3.9559   4.1301   5.4048   3.9778   5.8057   43.541   16.580   44.080   17.081 -0.5389404 23.80415 
1 1 1   16    5   54 o  205.797   5.3793  116.386   5.9610  119.553   8.1657  112.773   8.7222  208.947   7.2322  202.648   7.9652 6.299454 10.75864 
1 1 1   16    5   55 o   70.705   9.6927   13.677   4.2764  -0.1428   5.7383   30.939   6.4133   36.296   15.758  105.115   11.291 -68.81965 19.38547 
1 1 1   16    5   56 o  172.613   5.8879   82.418   5.4718   89.218   7.6730   75.381   7.8053  180.061   7.8860  165.166   8.7454 14.89497 11.77588 
1 1 1   16    5   57 o  110.373   7.9910   34.313   4.7659   34.076   6.7135   34.553   6.7667  109.992   11.295  110.754   11.307 -0.7616425 15.98203 
1 1 1   16    5   58 o   42.909   12.300   2.4136   4.6100  -1.0753   6.3451   6.3141   6.7090   36.385   16.155   49.432   18.551 -13.04663 24.59933 
1 1 1   16    5   59 o   94.049   10.472   26.706   5.1239   30.756   7.1767   22.495   7.3180  102.923   12.904   85.176   16.496 17.74668 20.94321 
1 1 1   16    5   60 o  138.013   8.4993   51.507   5.9565   31.522   7.6016   83.297   9.5875  104.173   13.504  171.853   10.324 -67.67989 16.99854 
1 1 1   16    5   61 o   43.024   18.025   2.9380   7.0453   2.9380   7.0453   0.0000   0.0000   43.024   18.025  ?   ?       ?      ? 
1 1 1   16    5   62 o   60.918   13.001   12.508   5.2804   19.367   7.1847   4.4518   7.7867   76.333   17.754   45.503   18.997 30.83086 26.00142 
1 1 1   16    5   63 o  172.900   6.7635   85.587   6.3124   82.724   8.6870   88.789   9.1883  169.952   9.4592  175.848   9.6696 -5.895874 13.52696 
1 1 1   16    6    0 o  307.283   4.7221  255.267   7.8386  247.411   11.040  263.256   11.132  302.512   6.7535  312.053   6.6017 -9.541229 9.444104 
1 1 1   16    6    2 o  417.320   5.6765  470.674   12.793  478.631   18.469  463.336   17.738  420.704   8.1243  413.936   7.9300 6.767914 11.35296 
1 1 1   16    6    3 f  384.446   5.3595  399.613   11.132  400.716   15.915  398.556   15.575  384.962   7.6507  383.929   7.5074 1.033234 10.71891 
1 1 1   16    6    4 o  753.274   9.2650  1536.06   37.701  1556.08   54.113  1517.18   52.557  758.028   13.211  748.520   12.994 9.507751 18.53008 
1 1 1   16    6    5 o  286.860   4.5876  222.577   7.1072  216.240   10.117  228.754   9.9869  282.822   6.6197  290.897   6.3533 -8.075256 9.175242 
1 1 1   16    6    6 o  253.321   4.3675  173.413   5.9687  174.399   8.7057  172.538   8.1991  253.997   6.3429  252.645   6.0058 1.351639 8.735068 
1 1 1   16    6    8 o  438.145   7.3791  510.775   16.099  497.791   19.207  541.441   29.517  429.050   8.2844  447.240   12.214 -18.19052 14.75813 
1 1 1   16    6    9 o  491.401   7.9595  659.071   20.087  672.158   24.941  634.910   33.888  498.524   9.2585  484.278   12.950 14.24524 15.91902 
1 1 1   16    6   10 o  684.031   10.583  1249.06   35.946  1313.51   66.104  1222.00   42.833  696.057   17.575  672.004   11.795 24.05353 21.16632 
1 1 1   16    6   11 o  772.454   11.695  1622.66   46.053  1599.10   79.347  1634.63   56.553  767.834   19.124  777.075   13.468 -9.241272 23.39043 
1 1 1   16    6   12 o  671.462   8.3651  1219.52   30.345  1201.48   42.380  1238.49   43.469  666.374   11.769  676.550   11.890 -10.17633 16.73011 
1 1 1   16    6   13 o  661.722   8.2673  1184.36   29.556  1167.65   41.313  1201.87   42.302  656.948   11.638  666.497   11.746 -9.548218 16.53454 
1 1 1   16    6   14 f  1344.44   16.077  4895.71  116.800   0.0000   0.0000  4895.71  116.800  ?   ?   1344.44   16.077      ?      ? 
1 1 1   16    6   15 o  337.908   7.1253  308.639   13.010   0.0000   0.0000  308.639   13.010  ?   ?   337.908   7.1253      ?      ? 
1 1 1   16    6   16 o  317.299   7.2860  272.137   12.492   0.0000   0.0000  272.137   12.492  ?   ?   317.299   7.2860      ?      ? 
1 1 1   16    6   19 o  559.254   15.018  846.622   45.384   0.0000   0.0000  846.622   45.384  ?   ?   559.254   15.018      ?      ? 
1 1 1   16    6   21 o  1418.52   24.059  5464.22  184.418   0.0000   0.0000  5464.22  184.418  ?   ?   1418.52   24.059      ?      ? 
1 1 1   16    6   22 o  482.325   9.2066  629.450   23.995  634.910   34.106  624.099   33.763  484.396   13.030  480.255   13.010 4.140594 18.41322 
1 1 1   16    6   23 o  335.117   6.9741  303.561   12.629   0.0000   0.0000  303.561   12.629  ?   ?   335.117   6.9741      ?      ? 
1 1 1   16    6   24 o  174.464   5.8791   82.267   5.5425   0.0000   0.0000   82.267   5.5425  ?   ?   174.464   5.8791      ?      ? 
1 1 1   16    6   25 o  408.825   7.9946  451.908   17.661   0.0000   0.0000  451.908   17.661  ?   ?   408.825   7.9946      ?      ? 
1 1 1   16    6   26 o  330.528   4.9848  295.348   8.9030  294.803   12.567  295.898   12.615  330.221   7.0424  330.834   7.0566 -0.6126709 9.969514 
1 1 1   16    6   28 o  476.870   6.3611  614.907   16.389  621.978   23.436  608.139   22.927  479.550   9.0438  474.190   8.9477 5.359802 12.72214 
1 1 1   16    6   29 o  608.791   9.3847  999.080   29.072  1017.79   50.693  989.910   35.488  612.776   15.309  604.807   10.859 7.968628 18.76930 
1 1 1   16    6   30 o  407.291   7.7804  448.719   17.117  457.207   24.612  440.766   23.823  411.015   11.081  403.567   10.924 7.448151 15.56074 
1 1 1   16    6   31 o  538.422   9.6944  784.260   28.168  812.612   41.138  759.234   38.650  547.543   13.904  529.301   13.513 18.24194 19.38873 
1 1 1   16    6   32 o  438.947   8.2462  520.016   19.514  548.198   28.824  496.171   26.513  449.869   11.857  428.025   11.463 21.84399 16.49245 
1 1 1   16    6   33 o  822.318   14.225  1835.84   63.058  1919.14   93.131  1765.31   85.688  839.357   20.533  805.279   19.692 34.07825 28.44969 
1 1 1   16    6   34 o  543.870   7.0846  798.982   20.785  837.404   30.514  765.727   28.389  556.016   10.156  531.724   9.8803 24.29187 14.16924 
1 1 1   16    6   35 o  364.999   5.4209  360.219   10.687  372.628   15.371  348.606   14.870  371.079   7.6657  358.918   7.6669 12.16040 10.84173 
1 1 1   16    6   36 o  475.925   6.4074  613.399   16.477  619.755   23.443  607.194   23.164  478.360   9.0692  473.490   9.0537 4.870270 12.81483 
1 1 1   16    6   37 o  235.200   6.9208  149.712   8.7959   0.0000   0.0000  149.712   8.7959  ?   ?   235.200   6.9208      ?      ? 
1 1 1   16    6   38 o  381.071   5.5694  392.933   11.462  406.994   16.535  379.926   15.904  387.625   7.8943  374.517   7.8584 13.10724 11.13886 
1 1 1   16    6   39 o  197.711   4.9205  105.967   5.2500  111.530   7.3951  100.315   7.4545  202.961   6.7429  192.460   7.1678 10.50089 9.840943 
1 1 1   16    6   40 o  345.948   5.3213  324.110   9.9440  335.566   14.269  313.294   13.865  351.891   7.5042  340.006   7.5467 11.88428 10.64263 
1 1 1   16    6   41 o  236.555   4.8908  151.682   6.2488  152.886   8.7268  150.416   8.9519  237.530   6.7990  235.579   7.0322 1.950439 9.781561 
1 1 1   16    6   42 o  272.243   4.9761  200.594   7.3126  214.115   10.552  188.103   10.143  281.066   6.9480  263.420   7.1256 17.64697 9.952288 
1 1 1   16    6   43 o  196.803   5.0076  104.832   5.3075  117.428   7.6869   93.356   7.3371  208.104   6.8357  185.503   7.3196 22.60046 10.01516 
1 1 1   16    6   44 o  128.613   6.2195   45.149   4.3006   46.671   5.8571   43.368   6.3350  131.025   8.2725  126.201   9.2895 4.823830 12.43902 
1 1 1   16    6   45 o  140.067   5.8602   53.335   4.4225   52.983   6.0196   53.747   6.5188  139.600   7.9798  140.534   8.5842 -0.9337921 11.72031 
1 1 1   16    6   46 f  135.643   6.1238   50.613   4.4398   57.611   6.1778   43.137   6.3852  145.535   7.8555  125.752   9.3966 19.78294 12.24765 
1 1 1   16    6   47 o  128.385   6.4851   45.658   4.4124   55.281   6.2013   35.791   6.2794  142.440   8.0568  114.330   10.164 28.11054 12.97010 
1 1 1   16    6   48 o  171.903   7.5559   87.041   6.1908   95.640   7.4410   67.703   11.159  187.429   7.3470  156.377   13.206 31.05168 15.11177 
1 1 1   16    6   49 o  281.882   7.7294  216.540   11.712  242.117   17.679  196.531   15.636  296.519   11.033  267.244   10.828 29.27557 15.45880 
1 1 1   16    6   50 o  196.437   8.3578  106.934   8.8702  107.545   12.457  106.306   12.634  197.056   11.698  195.818   11.940 1.237900 16.71558 
1 1 1   16    6   51 f   87.920   8.8592   21.439   4.1994   19.997   5.7152   23.131   6.1910   84.731   12.483   91.109   12.575 -6.377228 17.71849 
1 1 1   16    6   52 o  159.999   5.6547   70.372   4.8724   75.385   6.8038   65.095   6.9808  165.979   7.5860  154.019   8.3877 11.95970 11.30931 
1 1 1   16    6   53 o  121.688   6.7497   41.170   4.4043   44.533   6.0472   37.370   6.4274  127.215   8.7969  116.162   10.240 11.05238 13.49946 
1 1 1   16    6   54 o   81.903   9.5693   19.249   4.1246   19.302   5.5862   19.185   6.1158   82.819   12.482   80.987   14.508 1.832520 19.13854 
1 1 1   16    6   55 o  249.217   5.2202  170.355   7.0235  167.165   9.6917  173.883   10.193  246.824   7.2665  251.611   7.4966 -4.786697 10.44037 
1 1 1   16    6   56 o  186.830   5.7190   96.460   5.7542  102.691   8.0111   89.819   8.2705  193.263   7.6711  180.397   8.4843 12.86588 11.43799 
1 1 1   16    6   57 o  149.433   6.4261   62.080   5.1749   62.331   7.0745   61.792   7.5895  149.917   8.7328  148.949   9.4294 0.9683990 12.85212 
1 1 1   16    6   58 o  147.041   6.8147   60.530   5.4086   62.404   7.5578   58.562   7.7434  149.521   9.3541  144.561   9.9127 4.960556 13.62944 
1 1 1   16    6   59 o  141.498   7.2917   56.528   5.5668   54.519   7.6215   58.825   8.1503  138.907   10.154  144.089   10.468 -5.182220 14.58335 
1 1 1   16    6   61 o  180.894   6.4932   92.782   6.3399   90.648   8.7238   95.172   9.2294  178.839   9.0273  182.950   9.3358 -4.111633 12.98647 
1 1 1   16    6   62 o   65.477   13.552   14.591   5.1075   15.251   7.0035   13.842   7.4647   67.359   18.619   63.594   19.696 3.765602 27.10383 
1 1 1   16    6   63 o  100.553   10.932   32.922   5.4989   43.106   7.7238   22.455   7.8305  120.310   11.881   80.795   18.353 39.51476 21.86314 
1 1 1   16    7    0 o  543.679   6.9973  799.597   20.555  803.651   29.300  795.667   28.844  545.032   9.9485  542.326   9.8427 2.706665 13.99464 
1 1 1   16    7    1 o  134.187   4.6711   48.731   3.3780   47.893   4.9378   49.468   4.6314  133.099   6.8654  135.276   6.3358 -2.177353 9.342208 
1 1 1   16    7    2 o  605.124   7.6673  990.873   25.071  988.329   35.481  993.409   35.430  604.346   10.865  605.901   10.821 -1.554810 15.33465 
1 1 1   16    7    3 o  237.696   6.3686  152.733   8.1800  152.733   8.1800   0.0000   0.0000  237.696   6.3686  ?   ?       ?      ? 
1 1 1   16    7    4 o  155.111   5.9569   65.034   4.9928   0.0000   0.0000   65.034   4.9928  ?   ?   155.111   5.9569      ?      ? 
1 1 1   16    7    6 o  412.426   5.6940  459.486   12.676  469.160   18.428  450.799   17.465  416.536   8.1875  408.315   7.9154 8.221130 11.38807 
1 1 1   16    7    7 o  516.479   8.3896  706.391   21.466  684.242   25.478  760.586   39.854  502.983   9.3740  529.974   13.917 -26.99115 16.77920 
1 1 1   16    7    8 o  576.375   14.896  899.775   46.395   0.0000   0.0000  899.775   46.395  ?   ?   576.375   14.896      ?      ? 
1 1 1   16    7    9 o  512.476   13.847  711.036   38.346  711.036   38.346   0.0000   0.0000  512.476   13.847  ?   ?       ?      ? 
1 1 1   16    7   10 o  684.003   10.603  1256.33   36.276  1295.27   65.532  1239.13   43.559  691.286   17.543  676.720   11.912 14.56586 21.20514 
1 1 1   16    7   11 o  627.166   7.9102  1064.09   26.808  1061.03   37.918  1067.16   37.905  626.262   11.205  628.070   11.169 -1.807556 15.82047 
1 1 1   16    7   14 o  853.054   10.392  1967.98   47.905   0.0000   0.0000  1967.98   47.905  ?   ?   853.054   10.392      ?      ? 
1 1 1   16    7   15 f  180.261   4.2070   87.806   4.0979   0.0000   0.0000   87.806   4.0979  ?   ?   180.261   4.2070      ?      ? 
1 1 1   16    7   16 o  866.094   10.545  2028.45   49.353   0.0000   0.0000  2028.45   49.353  ?   ?   866.094   10.545      ?      ? 
1 1 1   16    7   17 o  834.184   11.789  1882.16   53.139   0.0000   0.0000  1882.16   53.139  ?   ?   834.184   11.789      ?      ? 
1 1 1   16    7   18 o  599.226   8.8501  970.786   28.657   0.0000   0.0000  970.786   28.657  ?   ?   599.226   8.8501      ?      ? 
1 1 1   16    7   19 o  651.477   9.4996  1147.62   33.442   0.0000   0.0000  1147.62   33.442  ?   ?   651.477   9.4996      ?      ? 
1 1 1   16    7   20 o  648.348   16.017  1138.29   56.116   0.0000   0.0000  1138.29   56.116  ?   ?   648.348   16.017      ?      ? 
1 1 1   16    7   21 o  493.025   12.523  657.658   33.363   0.0000   0.0000  657.658   33.363  ?   ?   493.025   12.523      ?      ? 
1 1 1   16    7   22 o  733.876   10.594  1437.83   35.469  1496.17   74.330  1420.62   40.360  742.984   18.514  724.768   10.305 18.21564 21.18878 
1 1 1   16    7   23 o  113.754   8.2442   41.333   3.6983   26.036   8.1510   45.298   4.1500   98.049   15.384  129.459   5.9323 -31.40988 16.48849 
1 1 1   16    7   24 o  894.742   15.397  2168.72   74.442   0.0000   0.0000  2168.72   74.442  ?   ?   894.742   15.397      ?      ? 
1 1 1   16    7   25 o  829.957   12.256  1896.31   53.458  1734.69   84.104  2005.88   69.247  799.437   19.469  860.477   14.893 -61.04071 24.51188 
1 1 1   16    7   26 o  1040.15   17.759  2939.21   99.658  2846.85  136.377  3045.04  145.989  1022.79   24.676  1057.52   25.547 -34.73090 35.51824 
1 1 1   16    7   27 o  126.305   6.3995   37.862   4.0764   65.991   7.3036   25.135   4.9128  156.212   8.6524   96.399   9.4313 59.81226 12.79897 
1 1 1   16    7   28 f  380.163   7.4168  385.861   15.122  349.549   19.948  434.910   23.185  359.429   10.271  400.896   10.703 -41.46689 14.83363 
1 1 1   16    7   29 f  205.997   5.8967  109.804   6.4059  139.144   10.561   92.725   8.0575  226.821   8.6163  185.173   8.0525 41.64793 11.79339 
1 1 1   16    7   30 o   66.352   13.974   12.381   4.8521   0.0000   0.0000   12.381   4.8521  ?   ?    66.352   13.974      ?      ? 
1 1 1   16    7   31 o  617.066   7.8364  1030.39   26.117  1051.87   37.646  1010.46   36.263  623.249   11.178  610.883   10.986 12.36560 15.67275 
1 1 1   16    7   32 o  187.320   6.6939   94.882   6.7756   0.0000   0.0000   94.882   6.7756  ?   ?   187.320   6.6939      ?      ? 
1 1 1   16    7   33 o  765.140   9.4741  1587.09   39.148  1619.69   56.535  1557.07   54.263  772.649   13.541  757.632   13.254 15.01630 18.94824 
1 1 1   16    7   34 o  312.856   5.1353  264.410   8.6746  275.686   12.574  254.170   11.983  319.209   7.2899  306.503   7.2348 12.70615 10.27063 
1 1 1   16    7   35 o  397.931   5.7187  428.010   12.287  444.304   17.814  413.223   16.970  405.141   8.1370  390.722   8.0377 14.41882 11.43748 
1 1 1   16    7   36 o  329.927   5.2082  294.550   9.2839  301.230   13.227  288.063   13.034  333.615   7.3373  326.238   7.3935 7.377197 10.41630 
1 1 1   16    7   37 o  236.018   4.8364  150.600   6.1645  144.456   8.5574  157.227   8.8879  231.018   6.8550  241.016   6.8244 -9.998016 9.672831 
1 1 1   16    7   38 o  266.100   4.8568  191.721   6.9825  196.156   9.8892  187.312   9.8603  269.175   6.7989  263.026   6.9375 6.149048 9.713630 
1 1 1   16    7   39 o  268.550   4.9144  194.928   7.1244  205.453   10.347  185.440   9.8241  275.428   6.9521  261.671   6.9479 13.75772 9.828793 
1 1 1   16    7   40 o   79.952   8.6373   17.432   3.7289   17.186   5.3525   17.665   5.1979   79.387   12.477   80.517   11.947 -1.129478 17.27452 
1 1 1   16    7   41 o  248.304   4.8941  167.085   6.5665  165.760   9.2542  168.428   9.3189  247.312   6.9248  249.296   6.9177 -1.983490 9.788156 
1 1 1   16    7   42 o  272.177   4.9606  200.831   7.2941  200.266   10.200  201.423   10.434  271.794   6.9453  272.559   7.0847 -0.7649536 9.921215 
1 1 1   16    7   43 o  248.395   5.0032  166.923   6.7043  180.727   9.7598  154.590   9.2254  258.102   6.9978  238.688   7.1526 19.41431 10.00645 
1 1 1   16    7   44 o  210.125   5.0057  119.934   5.6800  123.733   7.9852  116.044   8.0811  213.517   6.9209  206.733   7.2339 6.784195 10.01144 
1 1 1   16    7   45 o  204.136   5.0163  113.156   5.5330  112.050   7.7713  114.293   7.8795  203.126   7.0801  205.145   7.1080 -2.018524 10.03256 
1 1 1   16    7   46 o  169.050   5.4531   77.813   4.9640   86.318   7.0906   69.638   6.9518  178.168   7.3648  159.932   8.0440 18.23586 10.90625 
1 1 1   16    7   47 o  204.918   5.1638  114.285   5.7171  114.815   8.0269  113.740   8.1447  205.414   7.2315  204.422   7.3732 0.9921875 10.32759 
1 1 1   16    7   48 o  128.763   8.5027   44.420   5.2652   42.896   6.1285   48.716   10.289  125.249   9.0551  132.277   14.394 -7.028374 17.00530 
1 1 1   16    7   49 o  156.408   9.5656   68.141   8.0786   67.860   11.202   68.446   11.662  156.160   13.275  156.657   13.776 -0.4970856 19.13126 
1 1 1   16    7   50 o  301.321   7.9536  251.126   12.945  251.126   18.060  251.126   18.565  301.420   11.088  301.223   11.406 0.1968079 15.90719 
1 1 1   16    7   51 o  199.159   5.3865  108.472   5.7928  114.021   8.2535  103.085   8.1323  204.222   7.4791  194.097   7.7536 10.12537 10.77291 
1 1 1   16    7   52 o  198.853   5.2706  108.100   5.6593  106.312   7.8315  110.053   8.1874  197.168   7.3506  200.538   7.5554 -3.370300 10.54115 
1 1 1   16    7   53 o   47.493   12.226   5.6933   4.0741   6.3324   5.5503   4.9467   5.9989   48.675   17.069   46.311   17.507 2.364063 24.45115 
1 1 1   16    7   54 o   72.844   11.152   15.859   4.2485   16.228   5.7522   15.416   6.3019   74.124   14.878   71.564   16.615 2.559586 22.30315 
1 1 1   16    7   55 f   71.706   11.148   15.312   4.2079   12.860   5.7476   18.143   6.1773   65.222   16.342   78.190   15.168 -12.96850 22.29593 
1 1 1   16    7   56 o  123.279   7.2549   42.702   4.7954   47.406   6.6748   37.684   6.8940  130.641   9.4552  115.917   11.006 14.72426 14.50981 
1 1 1   16    7   57 o  108.785   8.1541   33.496   4.7853   34.051   6.6182   32.888   6.9274  109.890   11.145  107.679   11.906 2.210785 16.30825 
1 1 1   16    7   58 o   40.257   12.011   1.2789   4.6274   4.4233   6.4276  -2.1043   6.6673   44.852   17.794   35.662   16.137 9.190186 24.02113 
1 1 1   16    7   59 o   57.427   13.644   10.055   4.9933   8.3236   6.6658   12.270   7.5373   52.992   18.696   61.862   19.877 -8.869488 27.28749 
1 1 1   16    7   60 f  158.356   7.2521   71.312   6.1505   76.517   8.3863   65.255   9.0474  165.203   9.3943  151.510   11.051 13.69380 14.50428 
1 1 1   16    7   61 o  146.898   7.3925   63.066   5.8166   68.909   8.0164   56.569   8.4529  154.955   9.5738  138.842   11.267 16.11320 14.78500 
1 1 1   16    7   62 o   64.460   12.707   13.242   5.1814   5.0516   7.1146   22.493   7.5608   45.796   18.531   83.125   17.391 -37.32851 25.41354 
1 1 1   16    8    0 o  297.586   6.5477  239.467   10.524  241.216   15.155  237.838   14.624  298.631   9.3916  296.542   9.1263 2.089569 13.09544 
1 1 1   16    8    1 o  603.595   10.753  987.155   35.073  983.558   49.550  990.766   49.653  602.492   15.220  604.698   15.196 -2.206116 21.50684 
1 1 1   16    8    2 o  870.643   14.998  2058.97   70.554  2074.55  100.654  2043.92   98.926  873.857   21.316  867.429   21.105 6.428528 29.99651 
1 1 1   16    8    3 o  242.939   5.9653  158.923   7.8062  167.725   11.613  151.667   10.544  249.046   8.6292  236.833   8.2388 12.21292 11.93061 
1 1 1   16    8    4 o  489.682   7.8085  653.294   19.870  665.772   25.019  631.982   32.697  496.155   9.3318  483.208   12.522 12.94705 15.61698 
1 1 1   16    8    5 o  431.498   7.1260  503.880   15.927  504.537   19.878  502.703   26.618  431.960   8.5160  431.036   11.428 0.9243469 14.25198 
1 1 1   16    8    6 o  577.915   9.1645  903.605   26.925  902.827   32.903  905.180   46.844  577.716   10.540  578.115   14.995 -0.3991089 18.32890 
1 1 1   16    8    7 o  183.486   6.3213   92.427   5.5817   94.156   6.5766   87.973   10.554  186.637   6.5210  180.334   10.831 6.302963 12.64261 
1 1 1   16    8    8 o  320.331   6.5131  279.997   10.257  271.396   18.813  283.636   12.236  316.739   10.992  323.923   6.9903 -7.183716 13.02620 
1 1 1   16    8    9 o  211.463   11.893  120.991   13.589  120.991   13.589   0.0000   0.0000  211.463   11.893  ?   ?       ?      ? 
1 1 1   16    8   11 o  400.654   5.6655  433.800   12.263  424.704   17.142  443.335   17.551  396.354   8.0036  404.954   8.0208 -8.599762 11.33091 
1 1 1   16    8   12 o  409.900   8.1114  454.221   17.966   0.0000   0.0000  454.221   17.966  ?   ?   409.900   8.1114      ?      ? 
1 1 1   16    8   13 o  319.836   9.1445  276.577   15.804  276.577   15.804   0.0000   0.0000  319.836   9.1445  ?   ?       ?      ? 
1 1 1   16    8   14 o  131.536   5.0791   46.756   3.6101   0.0000   0.0000   46.756   3.6101  ?   ?   131.536   5.0791      ?      ? 
1 1 1   16    8   15 o  680.222   8.4981  1250.84   31.237   0.0000   0.0000  1250.84   31.237  ?   ?   680.222   8.4981      ?      ? 
1 1 1   16    8   16 o  302.670   4.9165  247.560   8.0410   0.0000   0.0000  247.560   8.0410  ?   ?   302.670   4.9165      ?      ? 
1 1 1   16    8   17 o   96.827   5.5349   25.337   2.8960   0.0000   0.0000   25.337   2.8960  ?   ?    96.827   5.5349      ?      ? 
1 1 1   16    8   18 o  1013.95   14.106  2782.57   77.285   0.0000   0.0000  2782.57   77.285  ?   ?   1013.95   14.106      ?      ? 
1 1 1   16    8   19 o  737.256   10.504  1470.00   41.849   0.0000   0.0000  1470.00   41.849  ?   ?   737.256   10.504      ?      ? 
1 1 1   16    8   20 o  1252.85   21.184  4257.80  143.415   0.0000   0.0000  4257.80  143.415  ?   ?   1252.85   21.184      ?      ? 
1 1 1   16    8   21 o  948.069   16.199  2434.39   82.986   0.0000   0.0000  2434.39   82.986  ?   ?   948.069   16.199      ?      ? 
1 1 1   16    8   22 o  681.227   11.829  1255.61   43.542   0.0000   0.0000  1255.61   43.542  ?   ?   681.227   11.829      ?      ? 
1 1 1   16    8   23 o  363.066   9.8173  356.531   19.260   0.0000   0.0000  356.531   19.260  ?   ?   363.066   9.8173      ?      ? 
1 1 1   16    8   24 o  793.905   13.733  1690.16   58.376  1568.02   76.572  1859.69   90.208  760.209   18.640  827.601   20.171 -67.39252 27.46515 
1 1 1   16    8   25 o  454.371   8.4415  557.924   20.711  534.910   28.652  583.108   29.972  444.573   11.927  464.169   11.950 -19.59573 16.88304 
1 1 1   16    8   26 o  761.028   18.574  1571.40   76.382   0.0000   0.0000  1571.40   76.382  ?   ?   761.028   18.574      ?      ? 
1 1 1   16    8   27 o  705.769   8.8167  1348.60   33.624  1354.79   47.750  1342.51   47.355  707.373   12.492  704.166   12.445 3.207092 17.63345 
1 1 1   16    8   28 o  748.406   9.2755  1515.97   37.495  1487.21   52.106  1546.86   53.997  741.062   13.012  755.750   13.222 -14.68719 18.55094 
1 1 1   16    8   29 o  840.500   14.554  1914.69   66.100   0.0000   0.0000  1914.69   66.100  ?   ?   840.500   14.554      ?      ? 
1 1 1   16    8   30 o  402.645   5.7619  437.980   12.528  420.959   17.356  456.496   18.103  394.489   8.1421  410.802   8.1551 -16.31284 11.52388 
1 1 1   16    8   31 o  333.934   5.2721  300.577   9.4883  315.002   14.046  288.470   12.868  341.271   7.6168  326.597   7.2914 14.67398 10.54421 
1 1 1   16    8   32 o  149.567   5.5325   60.982   4.4335   55.949   6.5368   65.270   6.0332  143.793   8.4128  155.342   7.1874 -11.54871 11.06497 
1 1 1   16    8   33 o  225.956   6.6283  138.101   8.0930   0.0000   0.0000  138.101   8.0930  ?   ?   225.956   6.6283      ?      ? 
1 1 1   16    8   34 f  314.152   5.1246  266.902   8.6964  271.847   12.501  262.264   12.106  316.968   7.2985  311.337   7.1958 5.630585 10.24926 
1 1 1   16    8   35 o  548.808   7.1592  816.126   21.227  825.600   30.375  807.083   29.676  551.910   10.185  545.706   10.064 6.203796 14.31833 
1 1 1   16    8   36 f  458.578   6.2836  569.437   15.563  581.339   22.442  558.409   21.601  463.180   8.9663  453.977   8.8056 9.203003 12.56720 
1 1 1   16    8   37 o  390.872   5.6906  413.708   12.016  422.012   17.253  405.886   16.745  394.673   8.0897  387.070   8.0057 7.603088 11.38129 
1 1 1   16    8   38 o  221.349   4.9285  131.387   5.8662  148.492   8.8088  117.757   7.8636  234.168   6.9615  208.529   6.9785 25.63893 9.857100 
1 1 1   16    8   39 o  172.553   5.1691   80.000   4.7991   90.097   7.1661   71.789   6.4622  182.344   7.2728  162.763   7.3475 19.58148 10.33826 
1 1 1   16    8   40 o  303.077   5.1281  248.750   8.3927  255.920   12.147  242.201   11.609  307.242   7.3165  298.912   7.1874 8.330414 10.25627 
1 1 1   16    8   41 o  136.915   5.9991   50.738   4.4281   55.883   6.4414   46.129   6.0972  143.489   8.3076  130.342   8.6569 13.14746 11.99825 
1 1 1   16    8   42 o  118.675   6.4839   38.227   4.1539   40.140   6.0359   36.506   5.7254  121.488   9.1943  115.862   9.1449 5.625870 12.96781 
1 1 1   16    8   43 o  316.764   5.2201  271.507   8.9183  288.244   13.111  257.095   12.166  325.804   7.4473  307.724   7.3166 18.08020 10.44010 
1 1 1   16    8   44 o  300.612   5.1643  245.212   8.3850  254.225   12.073  236.812   11.655  305.944   7.3025  295.280   7.3044 10.66379 10.32865 
1 1 1   16    8   45 o  203.191   5.1691  112.035   5.6705  118.733   8.1856  105.854   7.8627  209.032   7.2469  197.350   7.3731 11.68195 10.33823 
1 1 1   16    8   46 o  226.140   5.1698  139.129   6.3174  139.272   8.9369  138.987   8.9315  226.256   7.3097  226.024   7.3128 0.2319489 10.33965 
1 1 1   16    8   47 o  273.692   5.1289  203.477   7.5775  214.035   11.016  193.997   10.439  280.411   7.2704  266.972   7.2363 13.43915 10.25780 
1 1 1   16    8   48 o   96.315   11.858   25.966   5.1307   25.388   5.8694   27.838   10.565   95.978   11.317   96.652   20.842 -0.6737747 23.71590 
1 1 1   16    8   49 o  174.695   9.0379   84.931   8.5228   85.428   11.811   84.392   12.311  175.351   12.465  174.038   13.091 1.313126 18.07577 
1 1 1   16    8   50 o  277.734   7.9081  213.471   11.867  217.950   16.929  209.144   16.639  280.610   11.164  274.859   11.203 5.750275 15.81625 
1 1 1   16    8   51 o  174.108   7.8457   86.057   6.5731   79.707   12.279   88.608   7.7821  168.395   13.494  179.822   8.0088 -11.42688 15.69149 
1 1 1   16    8   52 o  111.660   7.4773   34.522   4.5058   32.167   6.2557   37.060   6.4953  107.660   10.753  115.660   10.393 -7.999359 14.95453 
1 1 1   16    8   53 o   59.623   12.203   10.629   4.2200   12.794   5.9096   8.3769   6.0282   65.245   16.693   54.001   17.805 11.24357 24.40697 
1 1 1   16    8   54 o   75.801   11.031   17.113   4.3598   16.897   5.9616   17.362   6.3922   75.461   15.147   76.142   16.042 -0.6816711 22.06287 
1 1 1   16    8   55 o  103.449   8.4091   30.610   4.6162   34.432   6.2661   26.075   6.8266  111.105   10.437   95.794   13.188 15.31162 16.81827 
1 1 1   16    8   56 o   62.612   12.599   12.087   4.4566   11.900   6.0564   12.308   6.5814   62.193   17.359   63.032   18.265 -0.8384209 25.19854 
1 1 1   16    8   57 o   37.081   11.500  -0.5419   4.4580  -2.3009   6.3450   1.1729   6.2648   34.798   15.744   39.363   16.767 -4.565041 22.99990 
1 1 1   16    8   58 o  126.651   7.6162   45.592   5.2117   45.037   7.3002   46.170   7.4429  125.888   10.732  127.415   10.810 -1.527023 15.23237 
1 1 1   16    8   59 o  113.860   9.0982   37.198   5.5662   35.562   7.4268   39.294   8.4078  111.305   12.348  116.414   13.366 -5.109039 18.19649 
1 1 1   16    8   60 f  166.183   7.1358   79.239   6.3394   87.681   8.7210   69.779   9.2312  176.393   9.1495  155.973   10.953 20.41975 14.27150 
1 1 1   16    8   61 o   57.352   13.855   11.021   5.2775   8.0979   7.5090   13.874   7.4190   51.378   19.548   63.326   19.639 -11.94796 27.70946 
1 1 1   16    8   62 o   59.461   15.091   11.436   6.6897   20.396   9.8942   3.8896   9.0797   72.899   22.692   46.022   19.901 26.87670 30.18261 
1 1 1   16    9    0 o  733.677   12.863  1456.94   50.997   0.0000   0.0000  1456.94   50.997  ?   ?   733.677   12.863      ?      ? 
1 1 1   16    9    1 o  401.603   5.7398  435.848   12.447  441.540   18.002  430.636   17.227  404.109   8.2441  399.097   7.9883 5.012390 11.47951 
1 1 1   16    9    2 o  378.745   6.5970  390.367   12.908  379.504   21.555  396.440   16.117  374.558   10.650  382.931   7.7888 -8.372711 13.19394 
1 1 1   16    9    3 o  404.975   7.8771  443.696   17.237  440.540   24.387  446.847   24.368  403.534   11.184  406.416   11.096 -2.882202 15.75420 
1 1 1   16    9    4 o  603.092   10.749  984.526   35.014  1001.58   50.460  968.694   48.625  608.111   15.356  598.074   15.046 10.03662 21.49837 
1 1 1   16    9    5 o  344.646   7.0784  321.167   13.181  315.315   18.460  327.252   18.826  341.444   10.005  347.847   10.016 -6.402649 14.15685 
1 1 1   16    9    6 o  138.949   9.0141   52.207   6.7681   52.207   6.7681   0.0000   0.0000  138.949   9.0141  ?   ?       ?      ? 
1 1 1   16    9    7 o  526.496   9.5835  749.218   27.230  770.946   39.722  729.955   37.402  533.671   13.774  519.321   13.328 14.35016 19.16696 
1 1 1   16    9    8 o  340.609   9.7807  313.739   18.002   0.0000   0.0000  313.739   18.002  ?   ?   340.609   9.7807      ?      ? 
1 1 1   16    9    9 o  518.895   9.4256  728.383   26.423  716.216   36.879  741.216   37.875  514.448   13.266  523.342   13.393 -8.893494 18.85129 
1 1 1   16    9   10 o   56.904   10.078   9.2395   3.2444   5.0450   4.7144   13.014   4.4719   45.531   15.744   68.277   12.584 -22.74646 20.15570 
1 1 1   16    9   11 o  258.847   5.9866  180.779   8.3650  173.063   11.518  189.392   12.169  253.014   8.4244  264.680   8.5081 -11.66562 11.97327 
1 1 1   16    9   12 o  517.362   9.3665  720.493   26.089  683.558   35.117  765.991   38.976  502.657   12.929  532.068   13.556 -29.41101 18.73291 
1 1 1   16    9   13 o  119.809   6.0758   38.776   3.8762   30.428   5.3232   48.198   5.6555  106.087   9.2859  133.531   7.8379 -27.44430 12.15160 
1 1 1   16    9   14 o  379.556   7.5117  389.408   15.406   0.0000   0.0000  389.408   15.406  ?   ?   379.556   7.5117      ?      ? 
1 1 1   16    9   19 o  1003.82   14.037  2727.31   76.139   0.0000   0.0000  2727.31   76.139  ?   ?   1003.82   14.037      ?      ? 
1 1 1   16    9   20 o  1045.26   17.930  2960.93  101.273   0.0000   0.0000  2960.93  101.273  ?   ?   1045.26   17.930      ?      ? 
1 1 1   16    9   21 o  859.014   12.153  1996.73   56.411   0.0000   0.0000  1996.73   56.411  ?   ?   859.014   12.153      ?      ? 
1 1 1   16    9   22 o  490.788   8.9172  651.389   23.649   0.0000   0.0000  651.389   23.649  ?   ?   490.788   8.9172      ?      ? 
1 1 1   16    9   23 o  803.373   11.381  1778.55   43.753  1685.81   83.346  1813.83   51.406  788.070   19.572  818.676   11.620 -30.60651 22.76149 
1 1 1   16    9   24 o  469.738   6.3840  591.661   16.123  547.939   21.517  647.638   24.346  450.127   8.8461  489.349   9.2070 -39.22147 12.76808 
1 1 1   16    9   25 o  425.533   6.0236  487.496   13.817  458.708   18.755  521.661   20.432  411.860   8.4273  439.205   8.6090 -27.34528 12.04715 
1 1 1   16    9   26 o  602.962   10.876  983.862   35.436   0.0000   0.0000  983.862   35.436  ?   ?   602.962   10.876      ?      ? 
1 1 1   16    9   27 o  123.013   6.5702   40.065   4.2054   44.085   7.1069   37.899   5.2169  127.644   10.304  118.383   8.1552 9.261284 13.14048 
1 1 1   16    9   28 o  349.109   7.5507  329.569   14.244   0.0000   0.0000  329.569   14.244  ?   ?   349.109   7.5507      ?      ? 
1 1 1   16    9   29 o  621.680   7.9455  1045.87   26.681  1022.60   37.106  1070.78   38.393  614.532   11.174  628.827   11.299 -14.29517 15.89092 
1 1 1   16    9   30 o  275.664   6.9084  205.491   10.291   0.0000   0.0000  205.491   10.291  ?   ?   275.664   6.9084      ?      ? 
1 1 1   16    9   31 o  514.977   9.6412  717.906   26.829   0.0000   0.0000  717.906   26.829  ?   ?   514.977   9.6412      ?      ? 
1 1 1   16    9   32 o  308.430   7.1371  257.356   11.895   0.0000   0.0000  257.356   11.895  ?   ?   308.430   7.1371      ?      ? 
1 1 1   16    9   33 o  505.813   9.5024  692.952   25.973   0.0000   0.0000  692.952   25.973  ?   ?   505.813   9.5024      ?      ? 
1 1 1   16    9   34 o  565.161   10.354  865.737   31.622   0.0000   0.0000  865.737   31.622  ?   ?   565.161   10.354      ?      ? 
1 1 1   16    9   35 o  221.012   4.9993  132.243   5.9518  131.713   8.7614  132.698   8.1105  220.584   7.3504  221.439   6.7781 -0.8544159 9.998544 
1 1 1   16    9   36 o  306.533   5.1736  254.355   8.5644  256.407   12.349  252.453   11.888  307.713   7.4266  305.352   7.2047 2.361664 10.34715 
1 1 1   16    9   37 o  146.558   5.7336   56.932   4.4841   66.632   7.0536   50.353   5.8091  156.794   8.3252  136.323   7.8859 20.47028 11.46719 
1 1 1   16    9   38 o  486.498   9.2854  642.363   24.410   0.0000   0.0000  642.363   24.410  ?   ?   486.498   9.2854      ?      ? 
1 1 1   16    9   39 o  193.520   5.1114  101.303   5.3331  104.510   7.8559   98.561   7.2632  196.339   7.4046  190.700   7.0484 5.639328 10.22288 
1 1 1   16    9   40 o  249.248   4.9602  167.961   6.6697  175.561   9.7806  161.355   9.1188  254.494   7.1122  244.002   6.9161 10.49243 9.920407 
1 1 1   16    9   41 o  255.854   6.9827  177.500   9.6539   0.0000   0.0000  177.500   9.6539  ?   ?   255.854   6.9827      ?      ? 
1 1 1   16    9   42 o  165.689   5.4374   74.182   4.8510   78.876   7.2404   70.359   6.5344  170.402   7.8632  160.977   7.5119 9.424469 10.87471 
1 1 1   16    9   43 o  276.365   5.0654  207.118   7.5586  213.678   10.960  201.169   10.438  280.520   7.2305  272.210   7.0961 8.309174 10.13088 
1 1 1   16    9   44 o  147.674   5.7843   59.276   4.6108   60.466   6.7025   58.207   6.3529  149.062   8.3212  146.286   8.0367 2.776184 11.56853 
1 1 1   16    9   45 o  223.663   5.1021  135.971   6.1632  137.489   8.8815  134.561   8.5595  224.847   7.3099  222.478   7.1199 2.369415 10.20426 
1 1 1   16    9   46 o  299.484   5.2259  243.877   8.4509  251.042   12.240  237.351   11.682  303.662   7.4597  295.306   7.3206 8.355621 10.45171 
1 1 1   16    9   47 o  207.057   5.1914  116.379   5.7988  125.258   8.4766  108.568   7.9501  214.462   7.3144  199.652   7.3690 14.81018 10.38286 
1 1 1   16    9   48 o  159.983   8.2820   74.787   6.2420   79.822   7.3844   62.185   11.682  170.941   7.9943  149.025   14.507 21.91655 16.56406 
1 1 1   16    9   49 o   55.296   15.076   5.7318   6.7374   11.173   9.2970  -0.2867   9.7774   63.482   22.101   47.110   20.511 16.37173 30.15235 
1 1 1   16    9   50 o  259.618   8.1283  187.261   11.399  194.031   16.178  180.586   16.063  264.384   11.324  254.852   11.664 9.532303 16.25662 
1 1 1   16    9   51 o  118.729   7.3704   39.130   4.7124   35.847   6.7127   42.320   6.6169  113.663   10.929  123.794   9.8916 -10.13104 14.74085 
1 1 1   16    9   52 o  244.434   7.4569  163.688   9.8494   0.0000   0.0000  163.688   9.8494  ?   ?   244.434   7.4569      ?      ? 
1 1 1   16    9   53 o  159.239   6.0442   69.863   5.1996   71.787   7.4499   68.036   7.2604  161.377   8.5432  157.101   8.5525 4.276001 12.08850 
1 1 1   16    9   54 o  111.472   8.0548   35.011   4.8289   38.157   6.7579   31.729   6.9025  116.854   10.702  106.090   12.041 10.76338 16.10953 
1 1 1   16    9   55 f   47.165   11.517   3.3634   4.4515   12.116   6.2752  -5.5022   6.3157   62.923   17.708   31.406   14.730 31.51670 23.03389 
1 1 1   16    9   56 o  124.969   7.6011   44.127   5.0509   53.845   7.2413   34.919   7.0488  138.917   9.6466  111.022   11.749 27.89511 15.20218 
1 1 1   16    9   57 o  142.622   7.0012   57.204   5.3904   60.434   7.6673   54.047   7.5798  146.732   9.6701  138.512   10.127 8.220245 14.00242 
1 1 1   16    9   58 o   55.815   13.211   9.4484   4.8569   12.669   6.7757   6.0447   6.9656   62.959   18.616   48.672   18.751 14.28753 26.42280 
1 1 1   16    9   59 f  101.322   10.067   29.947   5.4892   28.638   7.3772   31.572   8.2161   99.104   13.776  103.540   14.685 -4.436546 20.13479 
1 1 1   16    9   60 o  166.363   8.9678   82.789   8.0615   82.410   11.346   83.176   11.456  166.023   12.647  166.704   12.717 -0.6809082 17.93553 
1 1 1   16    9   61 o  191.761   8.5395  107.492   8.8386  113.559   12.867  102.072   12.162  196.848   12.097  186.675   12.057 10.17262 17.07899 
1 1 1   16    9   62 o   41.409   12.951   1.7609   5.6800   2.1403   7.5041   1.2520   8.6915   40.962   17.898   41.856   18.723 -0.8940163 25.90182 
1 1 1   16   10    0 o  790.265   9.7614  1690.47   41.682  1677.84   58.620  1703.38   59.282  787.283   13.779  793.248   13.830 -5.964844 19.52273 
1 1 1   16   10    1 o  205.073   4.9067  113.539   5.4292  116.126   7.9327  111.260   7.4465  207.265   7.0828  202.881   6.7924 4.384232 9.813428 
1 1 1   16   10    2 o  581.493   7.5108  914.559   23.600  906.289   33.249  922.956   33.503  578.843   10.630  584.143   10.614 -5.299500 15.02170 
1 1 1   16   10    3 o  517.064   6.9155  723.042   19.322  719.169   27.373  726.888   27.278  515.682   9.8232  518.446   9.7367 -2.764221 13.83107 
1 1 1   16   10    4 o  409.747   5.8611  453.578   12.965  461.382   18.807  446.510   17.898  413.099   8.4252  406.395   8.1503 6.703613 11.72223 
1 1 1   16   10    5 o  418.505   12.205  473.874   27.602   0.0000   0.0000  473.874   27.602  ?   ?   418.505   12.205      ?      ? 
1 1 1   16   10    6 o  458.825   6.3555  569.206   15.756  569.069   22.451  569.338   22.116  458.768   9.0564  458.882   8.9191 -0.1134949 12.71095 
1 1 1   16   10    7 o  320.613   6.8824  283.389   10.928  264.189   19.585  292.068   13.169  312.518   11.598  328.707   7.4138 -16.18961 13.76472 
1 1 1   16   10    8 o  386.633   5.6741  404.073   11.851  405.345   16.967  402.860   16.562  387.225   8.1085  386.041   7.9393 1.184357 11.34817 
1 1 1   16   10   10 o  627.023   8.0094  1063.30   27.137  1056.92   38.315  1069.71   38.442  625.136   11.342  628.910   11.312 -3.773865 16.01887 
1 1 1   16   10   13 o  302.045   5.4850  242.986   8.1136  255.180   15.280  238.197   9.5750  307.214   9.2042  296.875   5.9687 10.33817 10.97008 
1 1 1   16   10   14 o  350.160   8.0377  331.463   15.209   0.0000   0.0000  331.463   15.209  ?   ?   350.160   8.0377      ?      ? 
1 1 1   16   10   15 o  839.130   10.302  1904.23   46.715   0.0000   0.0000  1904.23   46.715  ?   ?   839.130   10.302      ?      ? 
1 1 1   16   10   16 o  576.413   10.642  898.583   33.146   0.0000   0.0000  898.583   33.146  ?   ?   576.413   10.642      ?      ? 
1 1 1   16   10   17 o  366.594   5.5655  363.202   11.025   0.0000   0.0000  363.202   11.025  ?   ?   366.594   5.5655      ?      ? 
1 1 1   16   10   18 o  220.183   4.9332  131.015   5.8695   0.0000   0.0000  131.015   5.8695  ?   ?   220.183   4.9332      ?      ? 
1 1 1   16   10   19 o  663.859   8.4318  1191.55   30.247   0.0000   0.0000  1191.55   30.247  ?   ?   663.859   8.4318      ?      ? 
1 1 1   16   10   20 o  1071.91   14.926  3111.83   86.452   0.0000   0.0000  3111.83   86.452  ?   ?   1071.91   14.926      ?      ? 
1 1 1   16   10   21 o  507.588   6.8435  696.500   18.771   0.0000   0.0000  696.500   18.771  ?   ?   507.588   6.8435      ?      ? 
1 1 1   16   10   22 o  387.188   6.6816  405.264   13.980   0.0000   0.0000  405.264   13.980  ?   ?   387.188   6.6816      ?      ? 
1 1 1   16   10   23 o  775.413   11.851  1612.93   45.752  1673.65   83.471  1586.85   54.701  785.250   19.672  765.577   13.223 19.67316 23.70252 
1 1 1   16   10   24 o  1192.14   17.821  3811.36  105.670  4022.52  193.781  3722.00  126.062  1213.51   29.552  1170.78   19.926 42.73010 35.64192 
1 1 1   16   10   25 o  540.734   10.018  791.082   29.272   0.0000   0.0000  791.082   29.272  ?   ?   540.734   10.018      ?      ? 
1 1 1   16   10   26 o  441.959   6.2606  528.148   14.945  533.406   21.506  523.237   20.782  444.080   8.9621  439.838   8.7441 4.241486 12.52113 
1 1 1   16   10   27 o  365.867   7.7835  361.994   15.388   0.0000   0.0000  361.994   15.388  ?   ?   365.867   7.7835      ?      ? 
1 1 1   16   10   28 o  315.351   5.3153  269.086   9.0490  255.093   12.773  283.187   12.822  307.108   7.6966  323.593   7.3328 -16.48538 10.63055 
1 1 1   16   10   29 o  281.545   6.9871  214.357   10.630   0.0000   0.0000  214.357   10.630  ?   ?   281.545   6.9871      ?      ? 
1 1 1   16   10   30 o  227.031   5.2010  139.449   6.3257  139.169   9.5902  139.664   8.4161  226.812   7.8248  227.249   6.8536 -0.4367065 10.40194 
1 1 1   16   10   31 o  313.661   7.2458  266.168   12.281   0.0000   0.0000  266.168   12.281  ?   ?   313.661   7.2458      ?      ? 
1 1 1   16   10   32 o  183.603   7.0553   91.201   6.9997   0.0000   0.0000   91.201   6.9997  ?   ?   183.603   7.0553      ?      ? 
1 1 1   16   10   33 o  233.312   6.8916  147.280   8.6885   0.0000   0.0000  147.280   8.6885  ?   ?   233.312   6.8916      ?      ? 
1 1 1   16   10   34 o   80.055   9.4672   16.622   3.8907   22.296   6.5885   13.584   4.8211   90.559   13.464   69.550   13.313 21.00903 18.93438 
1 1 1   16   10   35 o  407.924   8.2347  450.818   18.152   0.0000   0.0000  450.818   18.152  ?   ?   407.924   8.2347      ?      ? 
1 1 1   16   10   36 o  238.510   5.1018  154.038   6.5534  154.300   9.6749  153.816   8.9083  238.675   7.5015  238.345   6.9167 0.3297577 10.20365 
1 1 1   16   10   37 o  417.567   8.3714  472.779   18.889   0.0000   0.0000  472.779   18.889  ?   ?   417.567   8.3714      ?      ? 
1 1 1   16   10   38 o  292.799   7.2219  232.369   11.426   0.0000   0.0000  232.369   11.426  ?   ?   292.799   7.2219      ?      ? 
1 1 1   16   10   39 o  270.365   5.1314  197.906   7.4826  202.145   10.971  194.219   10.232  273.045   7.4356  267.684   7.0735 5.361694 10.26271 
1 1 1   16   10   40 o  632.789   8.1299  1091.91   27.796  1098.31   39.639  1085.71   38.988  634.582   11.560  630.995   11.435 3.587646 16.25974 
1 1 1   16   10   41 o   68.057   14.259   13.188   5.0759   0.0000   0.0000   13.188   5.0759  ?   ?    68.057   14.259      ?      ? 
1 1 1   16   10   42 o  110.382   7.1046   32.681   4.1879   36.806   6.5612   29.845   5.4402  116.119   10.457  104.645   9.6207 11.47359 14.20918 
1 1 1   16   10   43 f  148.015   5.8095   59.170   4.6203   63.503   6.9968   55.820   6.1525  152.752   8.4766  143.277   7.9467 9.474976 11.61905 
1 1 1   16   10   44 o  100.627   7.8868   27.154   4.2180   35.217   6.4610   21.165   5.5684  113.442   10.540   87.811   11.735 25.63191 15.77359 
1 1 1   16   10   45 o  126.692   6.6836   43.999   4.5390   42.943   6.8184   44.839   6.0826  125.221   10.077  128.163   8.7829 -2.942085 13.36716 
1 1 1   16   10   46 o  120.654   6.8011   39.285   4.4011   45.015   6.7356   35.016   5.8138  128.203   9.7227  113.104   9.5125 15.09921 13.60216 
1 1 1   16   10   47 o   58.392   12.015   9.5765   4.0464   12.475   6.1259   7.3332   5.3896   65.218   17.153   51.566   16.828 13.65167 24.02934 
1 1 1   16   10   48 o  208.159   7.3587  115.578   7.4874  110.672   8.7890  128.559   14.297  201.177   8.0849  215.142   12.298 -13.96495 14.71738 
1 1 1   16   10   49 o   74.835   16.343   17.037   7.2427   17.254   9.6303   16.754   10.989   75.248   22.178   74.423   24.010 0.8252563 32.68514 
1 1 1   16   10   50 o  129.368   11.392   48.089   7.9028   50.698   10.752   45.023   11.655  133.726   14.879  125.010   17.254 8.715698 22.78346 
1 1 1   16   10   51 o   85.525   10.205   21.162   4.5663   19.710   6.7574   22.382   6.1947   81.786   15.862   89.265   12.843 -7.478348 20.40958 
1 1 1   16   10   52 o  221.329   5.5496  134.471   6.6341  136.326   9.5565  132.745   9.2167  222.760   7.9392  219.898   7.7565 2.862289 11.09926 
1 1 1   16   10   53 f  324.260   5.6277  289.150   9.8566  297.851   14.187  281.032   13.704  328.954   7.9813  319.565   7.9361 9.389313 11.25530 
1 1 1   16   10   54 o  142.883   6.7198   56.608   5.1862   57.937   7.4630   55.366   7.2123  144.482   9.5590  141.283   9.4470 3.198257 13.43953 
1 1 1   16   10   55 o  142.051   6.8006   55.980   5.1964   63.966   7.6152   49.020   7.1085  151.632   9.2940  132.470   9.9306 19.16197 13.60128 
1 1 1   16   10   56 o   81.329   11.208   20.011   4.7469   21.527   6.7983   18.569   6.6311   84.618   15.437   78.040   16.253 6.578178 22.41513 
1 1 1   16   10   57 o   93.183   10.110   26.007   4.9031   21.635   6.9303   30.389   6.9378   83.867   15.874  102.499   12.526 -18.63187 20.22058 
1 1 1   16   10   58 o  119.067   11.420   43.080   6.8441   29.617   9.4958   57.635   9.8732   96.828   18.827  141.306   12.930 -44.47713 22.83934 
1 1 1   16   10   59 o   89.397   14.038   26.476   6.5767   28.288   9.8593   25.023   8.8276   91.727   20.417   87.067   19.272 4.659874 28.07597 
1 1 1   16   10   60 o  181.900   8.6122   97.711   8.4420   93.491   12.191  101.599   11.701  177.439   12.715  186.362   11.620 -8.923492 17.22439 
1 1 1   16   10   61 o   93.052   10.963   27.426   5.3763   25.505   7.6338   29.317   7.5731   88.516   16.569   97.587   14.361 -9.071602 21.92657 
1 1 1   16   11    2 o  121.416   6.3649   39.783   4.1712   41.398   6.0797   38.347   5.7333  123.738   9.0927  119.094   8.9090 4.644806 12.72978 
1 1 1   16   11    3 o  704.574   8.8645  1343.03   33.749  1342.94   47.852  1343.11   47.606  704.550   12.569  704.599   12.503 -0.4919434E-01 17.72897 
1 1 1   16   11    4 o  285.724   6.5434  217.882   9.3384  213.427   11.181  228.153   16.979  280.995   7.3639  290.453   10.818 -9.457458 13.08673 
1 1 1   16   11    5 o  619.407   7.9600  1036.79   26.629  1011.55   36.942  1064.09   38.420  611.571   11.179  627.244   11.335 -15.67261 15.92001 
1 1 1   16   11    6 o  733.735   18.670  1458.56   74.025  1458.56   74.025   0.0000   0.0000  733.735   18.670  ?   ?       ?      ? 
1 1 1   16   11    9 o  1590.13   19.006  6868.49  163.261  6775.81  227.632  6966.67  234.285  1579.15   26.676  1601.10   27.079 -21.94800 38.01177 
1 1 1   16   11   10 o  559.297   7.3797  845.862   22.301  850.160   31.816  841.711   31.268  560.691   10.501  557.904   10.372 2.786865 14.75944 
1 1 1   16   11   11 o  405.521   8.3463  444.574   18.289   0.0000   0.0000  444.574   18.289  ?   ?   405.521   8.3463      ?      ? 
1 1 1   16   11   13 o  537.545   8.3192  781.179   24.165   0.0000   0.0000  781.179   24.165  ?   ?   537.545   8.3192      ?      ? 
1 1 1   16   11   14 o  850.500   10.471  1956.26   48.124   0.0000   0.0000  1956.26   48.124  ?   ?   850.500   10.471      ?      ? 
1 1 1   16   11   15 o  457.897   8.8617  566.888   21.927   0.0000   0.0000  566.888   21.927  ?   ?   457.897   8.8617      ?      ? 
1 1 1   16   11   16 o  206.775   5.2613  115.549   5.8787   0.0000   0.0000  115.549   5.8787  ?   ?   206.775   5.2613      ?      ? 
1 1 1   16   11   17 o  282.724   6.2006  216.046   9.4729   0.0000   0.0000  216.046   9.4729  ?   ?   282.724   6.2006      ?      ? 
1 1 1   16   11   18 o  390.466   8.0410  412.210   16.966   0.0000   0.0000  412.210   16.966  ?   ?   390.466   8.0410      ?      ? 
1 1 1   16   11   19 o  484.472   6.7030  634.483   17.548   0.0000   0.0000  634.483   17.548  ?   ?   484.472   6.7030      ?      ? 
1 1 1   16   11   20 o  797.058   13.914  1720.52   59.929   0.0000   0.0000  1720.52   59.929  ?   ?   797.058   13.914      ?      ? 
1 1 1   16   11   21 o  395.318   7.1363  422.489   15.244   0.0000   0.0000  422.489   15.244  ?   ?   395.318   7.1363      ?      ? 
1 1 1   16   11   22 o  517.058   7.8807  722.872   22.019   0.0000   0.0000  722.872   22.019  ?   ?   517.058   7.8807      ?      ? 
1 1 1   16   11   23 o  1247.08   18.513  4219.26  116.403  4297.30  206.452  4182.89  140.941  1253.51   30.479  1240.65   21.023 12.86023 37.02662 
1 1 1   16   11   24 o  357.770   7.1820  325.002   12.197  391.441   24.885  303.994   13.993  380.247   12.111  335.293   7.7233 44.95361 14.36400 
1 1 1   16   11   26 o  260.310   5.3805  182.868   7.4925  185.896   11.478  180.620   9.8905  262.167   8.1021  258.452   7.0819 3.715607 10.76091 
1 1 1   16   11   27 o  178.202   7.0971   85.878   6.8342   0.0000   0.0000   85.878   6.8342  ?   ?   178.202   7.0971      ?      ? 
1 1 1   16   11   28 o  241.891   5.3241  156.605   6.8598  167.689   10.791  149.089   8.8864  248.982   8.0207  234.801   7.0039 14.18155 10.64830 
1 1 1   16   11   29 o  362.515   8.2854  355.593   16.230  355.593   16.230   0.0000   0.0000  362.515   8.2854  ?   ?       ?      ? 
1 1 1   16   11   30 o  479.449   9.1787  622.414   23.780   0.0000   0.0000  622.414   23.780  ?   ?   479.449   9.1787      ?      ? 
1 1 1   16   11   31 o  341.439   5.5102  315.406   10.146  316.995   14.845  314.013   13.899  342.228   8.0273  340.650   7.5506 1.578796 11.02039 
1 1 1   16   11   32 o  444.252   6.2616  534.451   15.029  522.723   21.176  546.355   21.335  439.334   8.9198  449.170   8.7901 -9.836243 12.52311 
1 1 1   16   11   33 o  313.969   5.3419  267.153   9.0521  258.955   12.992  274.889   12.620  309.264   7.7741  318.674   7.3285 -9.410065 10.68378 
1 1 1   16   11   34 o  315.793   5.3646  269.653   9.1303  275.526   13.468  264.660   12.420  318.947   7.8146  312.639   7.3516 6.308350 10.72915 
1 1 1   16   11   35 o  587.637   7.6318  937.855   24.233  932.285   34.282  943.418   34.261  585.883   10.828  589.391   10.757 -3.507996 15.26354 
1 1 1   16   11   36 f  113.785   7.3213   34.405   4.3897   38.543   7.1978   31.954   5.5390  119.063   11.188  108.507   9.4469 10.55561 14.64263 
1 1 1   16   11   37 o  515.257   9.7164  721.395   27.053   0.0000   0.0000  721.395   27.053  ?   ?   515.257   9.7164      ?      ? 
1 1 1   16   11   38 o  376.010   5.7446  383.406   11.658  387.541   16.953  379.698   16.056  377.897   8.3023  374.123   7.9419 3.774109 11.48921 
1 1 1   16   11   39 o  386.395   5.8074  404.845   12.111  413.477   17.644  397.154   16.653  390.252   8.3667  382.538   8.0563 7.713257 11.61488 
1 1 1   16   11   40 o  149.171   6.1341   61.677   4.8392   52.964   7.3003   68.507   6.4634  139.476   9.6861  158.866   7.5290 -19.38994 12.26816 
1 1 1   16   11   41 o  244.727   7.0216  162.559   9.2855   0.0000   0.0000  162.559   9.2855  ?   ?   244.727   7.0216      ?      ? 
1 1 1   16   11   42 o  362.642   5.6291  357.478   11.024  360.021   15.901  355.125   15.297  363.847   8.0874  361.437   7.8321 2.409607 11.25826 
1 1 1   16   11   43 o  357.675   7.8796  348.051   15.229   0.0000   0.0000  348.051   15.229  ?   ?   357.675   7.8796      ?      ? 
1 1 1   16   11   44 o  188.849   5.5332   97.129   5.6147   97.175   8.3966   97.092   7.5514  188.809   8.2298  188.888   7.3983 -0.7885742E-01 11.06641 
1 1 1   16   11   45 o  228.222   7.1317  141.742   8.7951   0.0000   0.0000  141.742   8.7951  ?   ?   228.222   7.1317      ?      ? 
1 1 1   16   11   46 o  150.164   6.1272   61.163   4.9248   65.016   7.5901   58.362   6.4721  154.124   9.1136  146.204   8.1921 7.919235 12.25435 
1 1 1   16   11   47 o  169.301   8.6810   82.896   6.9804   87.169   8.2561   72.185   13.072  178.434   8.5626  160.168   15.104 18.26662 17.36209 
1 1 1   16   11   48 o  148.177   10.700   62.467   8.4729   66.509   11.434   57.545   12.618  154.095   13.732  142.259   16.414 11.83542 21.40075 
1 1 1   16   11   49 o   59.619   16.256   8.0315   7.3576   5.8694   9.6712   11.002   11.336   54.634   21.779   64.604   24.140 -9.969913 32.51260 
1 1 1   16   11   50 o  217.986   7.0816  130.190   7.5291  134.122   14.165  128.642   8.8886  219.207   11.959  216.765   7.5885 2.442200 14.16314 
1 1 1   16   11   51 o  172.719   5.9467   81.661   5.5192   85.926   8.3339   78.328   7.3661  176.595   8.7334  168.844   8.0735 7.750458 11.89342 
1 1 1   16   11   52 o  109.385   8.0720   33.744   4.7124   31.923   7.1249   35.159   6.2828  106.396   12.393  112.374   10.347 -5.978188 16.14402 
1 1 1   16   11   53 o  125.021   7.4341   43.465   5.0088   45.708   7.4193   41.587   6.7896  127.888   10.736  122.154   10.286 5.734512 14.86827 
1 1 1   16   11   54 o   51.199   12.832   7.2657   4.5045   5.3655   6.7697   8.7754   6.0342   47.935   18.481   54.464   17.807 -6.529053 25.66380 
1 1 1   16   11   55 o   49.938   13.065   6.4830   4.6553   7.8783   7.0113   5.3829   6.2256   52.994   19.121   46.881   17.808 6.112709 26.12947 
1 1 1   16   11   56 o   51.856   13.749   6.3564   5.9396  -3.0698   9.3787   12.669   7.6749   41.133   18.816   62.579   20.052 -21.44547 27.49753 
1 1 1   16   11   57 o  177.079   8.2192   89.074   7.7489   92.252   12.107   86.869   10.085  178.979   12.519  175.179   10.654 3.800476 16.43837 
1 1 1   16   11   58 o   93.771   13.743   27.561   6.6343   32.568   10.565   24.302   8.5244  100.205   20.210   87.337   18.631 12.86764 27.48679 
1 1 1   16   11   59 f  315.687   8.4491  282.305   14.413   0.0000   0.0000  282.305   14.413  ?   ?   315.687   8.4491      ?      ? 
1 1 1   16   11   60 o   50.539   13.512   7.5443   5.1502   5.1100   7.4896   9.7279   7.0935   46.430   18.929   54.648   19.285 -8.217995 27.02311 
1 1 1   16   11   61 o  135.364   8.0100   54.100   5.8466   56.626   8.6121   51.940   7.9628  138.058   11.544  132.669   11.107 5.389145 16.01991 
1 1 1   16   12    0 o  380.422   5.8106  391.060   11.938  395.592   17.217  386.864   16.568  382.541   8.3288  378.303   8.1046 4.238220 11.62125 
1 1 1   16   12    1 o  435.265   8.8257  512.186   20.758   0.0000   0.0000  512.186   20.758  ?   ?   435.265   8.8257      ?      ? 
1 1 1   16   12    2 o  406.115   5.9650  445.882   13.090  442.566   18.562  449.162   18.461  404.612   8.4900  407.619   8.3813 -3.006836 11.93005 
1 1 1   16   12    3 o  320.217   6.8642  274.137   11.030  269.032   13.263  285.586   19.861  315.479   7.7802  324.954   11.311 -9.475220 13.72843 
1 1 1   16   12    4 o  683.445   10.661  1275.93   37.615  1305.10   47.025  1224.10   62.675  694.582   12.529  672.309   17.252 22.27356 21.32153 
1 1 1   16   12    5 o  234.962   7.5329  144.633   8.1771  158.333   17.031  140.529   9.3218  241.913   13.028  228.010   7.5659 13.90384 15.06586 
1 1 1   16   12    6 o  744.214   11.530  1507.88   43.761  1474.78   75.197  1524.83   53.812  737.727   18.863  750.700   13.265 -12.97302 23.06059 
1 1 1   16   12    7 o  373.507   5.8713  377.190   11.849  371.125   16.785  383.214   16.728  370.512   8.3834  376.502   8.2223 -5.990356 11.74257 
1 1 1   16   12    8 o  341.624   5.7186  315.119   10.545  323.203   15.347  307.890   14.513  345.766   8.2142  337.481   7.9584 8.284515 11.43718 
1 1 1   16   12   10 o  649.430   11.760  1140.90   41.270   0.0000   0.0000  1140.90   41.270  ?   ?   649.430   11.760      ?      ? 
1 1 1   16   12   12 o  480.396   7.3734  630.939   17.196  608.558   32.170  639.892   20.347  474.263   12.553  486.529   7.7393 -12.26645 14.74687 
1 1 1   16   12   13 f  372.758   5.8269  375.529   11.737   0.0000   0.0000  375.529   11.737  ?   ?   372.758   5.8269      ?      ? 
1 1 1   16   12   14 o  608.857   7.9160  1002.17   26.044   0.0000   0.0000  1002.17   26.044  ?   ?   608.857   7.9160      ?      ? 
1 1 1   16   12   15 o  490.789   6.7749  651.094   17.967   0.0000   0.0000  651.094   17.967  ?   ?   490.789   6.7749      ?      ? 
1 1 1   16   12   16 o  590.951   7.7438  944.143   24.728   0.0000   0.0000  944.143   24.728  ?   ?   590.951   7.7438      ?      ? 
1 1 1   16   12   17 o  627.455   8.1201  1064.52   27.532   0.0000   0.0000  1064.52   27.532  ?   ?   627.455   8.1201      ?      ? 
1 1 1   16   12   18 o  688.714   8.7606  1282.75   32.603   0.0000   0.0000  1282.75   32.603  ?   ?   688.714   8.7606      ?      ? 
1 1 1   16   12   19 o  405.783   6.7935  445.129   14.896   0.0000   0.0000  445.129   14.896  ?   ?   405.783   6.7935      ?      ? 
1 1 1   16   12   20 o  623.364   8.1297  1050.71   27.384   0.0000   0.0000  1050.71   27.384  ?   ?   623.364   8.1297      ?      ? 
1 1 1   16   12   21 o  108.691   8.1657   31.946   4.7959   0.0000   0.0000   31.946   4.7959  ?   ?   108.691   8.1657      ?      ? 
1 1 1   16   12   22 o  876.079   15.217  2080.26   72.037   0.0000   0.0000  2080.26   72.037  ?   ?   876.079   15.217      ?      ? 
1 1 1   16   12   23 o  340.610   5.8768  313.601   10.817   0.0000   0.0000  313.601   10.817  ?   ?   340.610   5.8768      ?      ? 
1 1 1   16   12   24 o  381.847   7.2851  403.468   13.730  372.297   24.681  417.438   16.523  370.798   12.318  392.895   7.7825 -22.09625 14.57029 
1 1 1   16   12   25 o  662.620   8.4835  1187.82   30.354  1153.64   41.963  1225.33   43.961  652.647   11.899  672.593   12.096 -19.94556 16.96704 
1 1 1   16   12   26 o  104.086   9.2517   30.341   4.9291   26.029   8.0855   32.892   6.2182   97.945   15.277  110.227   10.440 -12.28213 18.50338 
1 1 1   16   12   27 o  841.532   14.657  1921.17   66.652   0.0000   0.0000  1921.17   66.652  ?   ?   841.532   14.657      ?      ? 
1 1 1   16   12   28 o  430.601   6.2547  500.639   14.536  471.947   20.008  532.708   21.153  417.566   8.8672  443.636   8.8238 -26.07022 12.50950 
1 1 1   16   12   29 o  717.324   12.720  1396.12   49.304   0.0000   0.0000  1396.12   49.304  ?   ?   717.324   12.720      ?      ? 
1 1 1   16   12   30 o  128.774   7.0379   43.969   4.6898   48.194   8.0214   41.775   5.7808  133.329   11.134  124.218   8.6122 9.111275 14.07578 
1 1 1   16   12   31 o  558.099   10.302  844.261   31.070   0.0000   0.0000  844.261   31.070  ?   ?   558.099   10.302      ?      ? 
1 1 1   16   12   32 o  200.249   5.5813  109.474   5.8983  104.243   9.2886  113.008   7.6352  196.157   8.7631  204.342   6.9147 -8.185410 11.16266 
1 1 1   16   12   33 o  316.837   5.4316  272.283   9.2845  257.118   13.219  287.049   13.044  308.091   7.9400  325.583   7.4140 -17.49216 10.86329 
1 1 1   16   12   34 o  270.943   5.2800  198.468   7.6769  201.942   11.602  195.763   10.239  273.010   7.8646  268.875   7.0471 4.135559 10.56000 
1 1 1   16   12   35 o  345.309   5.5676  323.293   10.377  320.648   15.005  325.717   14.366  343.926   8.0740  346.690   7.6683 -2.764099 11.13521 
1 1 1   16   12   36 o  184.368   5.6459   92.587   5.5078   90.206   8.6626   94.202   7.1358  182.294   8.7940  186.441   7.0829 -4.147308 11.29172 
1 1 1   16   12   37 o  370.770   5.7539  373.137   11.523  367.033   16.459  379.005   16.137  367.766   8.2822  373.773   7.9897 -6.006439 11.50778 
1 1 1   16   12   38 o  235.690   7.0563  150.604   8.9868   0.0000   0.0000  150.604   8.9868  ?   ?   235.690   7.0563      ?      ? 
1 1 1   16   12   39 f  397.989   8.2542  430.332   17.752   0.0000   0.0000  430.332   17.752  ?   ?   397.989   8.2542      ?      ? 
1 1 1   16   12   40 o  126.924   6.9820   44.398   4.6513   41.784   7.4042   46.102   5.9782  123.656   11.081  130.191   8.4977 -6.534874 13.96407 
1 1 1   16   12   41 o  111.506   7.5057   33.828   4.4164   34.622   7.0855   33.324   5.6477  112.443   11.661  110.568   9.4527 1.874802 15.01141 
1 1 1   16   12   42 o   56.813   11.289   9.4828   4.0678   2.0471   6.5109   14.243   5.2096   42.983   17.601   70.643   14.141 -27.66077 22.57758 
1 1 1   16   12   43 o  148.020   9.6913   59.916   7.7516   59.916   7.7516   0.0000   0.0000  148.020   9.6913  ?   ?       ?      ? 
1 1 1   16   12   44 o  237.610   5.3331  153.751   6.8215  153.867   10.097  153.654   9.2526  237.611   7.8636  237.610   7.2063 0.4730225E-03 10.66617 
1 1 1   16   12   45 o  181.960   7.5051   90.230   7.3794   0.0000   0.0000   90.230   7.3794  ?   ?   181.960   7.5051      ?      ? 
1 1 1   16   12   46 o  192.706   8.2143  107.461   7.5933  114.027   9.0558   91.914   13.935  204.212   8.2064  181.200   14.232 23.01222 16.42862 
1 1 1   16   12   47 o  235.252   8.5689  154.189   10.849  160.631   14.908  146.937   15.819  240.832   11.456  229.671   12.746 11.16101 17.13773 
1 1 1   16   12   48 o  208.010   8.8985  120.527   9.9677  116.396   13.461  125.540   14.831  204.289   12.194  211.732   12.963 -7.442947 17.79693 
1 1 1   16   12   49 o  207.555   7.1538  112.011   7.1964  135.518   14.178  103.854   8.3523  220.443   11.902  194.669   7.9400 25.77405 14.30753 
1 1 1   16   12   50 o  242.346   7.5042  160.945   9.8272   0.0000   0.0000  160.945   9.8272  ?   ?   242.346   7.5042      ?      ? 
1 1 1   16   12   51 o  201.951   5.7322  112.140   6.2199  112.795   9.3134  111.613   8.3568  202.293   8.5199  201.608   7.6708 0.6851349 11.46434 
1 1 1   16   12   52 o   46.885   12.174   2.7795   4.4910   11.334   7.1144  -2.8872   5.7905   61.125   19.276   32.645   14.876 28.47943 24.34878 
1 1 1   16   12   53 o   83.765   13.209   19.909   5.3972   26.577   10.177   17.300   6.3663   91.667   20.997   75.863   16.032 15.80454 26.41743 
1 1 1   16   12   54 o  178.606   8.0850   88.751   7.6203   96.644   12.367   83.919   9.6753  184.199   12.424  173.013   10.349 11.18649 16.17002 
1 1 1   16   12   55 o   49.894   14.378   4.4911   5.8714   8.4910   9.9696   2.3671   7.2650   56.545   22.247   43.244   18.220 13.30044 28.75558 
1 1 1   16   12   56 o  147.650   7.9193   62.179   6.3004   63.005   8.6337   61.239   9.2150  149.019   10.722  146.282   11.658 2.737595 15.83855 
1 1 1   16   12   57 o  170.185   6.8348   81.358   6.2710   78.938   9.0916   83.555   8.6611  167.518   10.044  172.852   9.2729 -5.333801 13.66970 
1 1 1   16   12   58 f   85.125   12.022   23.608   5.3838   20.417   7.9458   26.316   7.3203   77.423   19.109   92.827   14.594 -15.40400 24.04400 
1 1 1   16   12   59 o  123.677   8.5301   44.310   5.6206   55.417   8.3811   35.233   7.5770  138.263   11.218  109.090   12.853 29.17285 17.06017 
1 1 1   16   12   60 o   61.753   14.084   13.772   5.3431   13.590   7.8975   13.927   7.2559   61.067   20.391   62.438   19.432 -1.370670 28.16734 
1 1 1   16   13    0 o  432.067   7.9202  510.657   17.328  488.288   30.019  521.835   21.221  424.806   13.077  439.328   8.9388 -14.52173 15.84041 
1 1 1   16   13    1 o  381.582   5.9282  393.620   12.217  394.114   17.577  393.159   16.992  381.809   8.5193  381.354   8.2458 0.4552002 11.85635 
1 1 1   16   13    2 f  615.368   9.8490  1032.96   31.197  1052.28   38.823  997.748   52.413  623.718   11.519  607.019   15.979 16.69885 19.69803 
1 1 1   16   13    3 o  772.052   19.459  1615.77   81.183   0.0000   0.0000  1615.77   81.183  ?   ?   772.052   19.459      ?      ? 
1 1 1   16   13    4 o  848.696   12.951  1955.34   55.887  1941.22   96.973  1962.36   68.386  845.974   21.213  851.418   14.864 -5.443665 25.90258 
1 1 1   16   13    5 o  595.307   16.142  959.685   51.925  959.685   51.925   0.0000   0.0000  595.307   16.142  ?   ?       ?      ? 
1 1 1   16   13    6 o  477.949   9.4261  617.674   24.344   0.0000   0.0000  617.674   24.344  ?   ?   477.949   9.4261      ?      ? 
1 1 1   16   13    7 o  947.208   11.611  2427.81   59.396  2374.50   82.274  2485.82   85.836  936.381   16.260  958.034   16.581 -21.65326 23.22290 
1 1 1   16   13    9 o  617.833   8.1084  1032.44   27.069  1020.91   38.058  1044.24   38.509  614.343   11.464  621.324   11.470 -6.980347 16.21688 
1 1 1   16   13   10 o  779.086   9.7608  1641.33   41.068  1603.24   56.893  1682.76   59.341  769.669   13.679  788.503   13.927 -18.83331 19.52168 
1 1 1   16   13   11 o  598.527   7.9490  968.927   25.708  956.861   36.154  981.269   36.562  594.758   11.249  602.297   11.234 -7.538818 15.89805 
1 1 1   16   13   12 o  646.914   9.4745  1124.96   28.842  1148.42   57.480  1117.07   33.343  651.116   16.337  642.711   9.6006 8.404358 18.94908 
1 1 1   16   13   13 o  614.812   9.2653  1022.18   30.781   0.0000   0.0000  1022.18   30.781  ?   ?   614.812   9.2653      ?      ? 
1 1 1   16   13   14 o  326.257   7.6624  287.780   13.509   0.0000   0.0000  287.780   13.509  ?   ?   326.257   7.6624      ?      ? 
1 1 1   16   13   15 o  108.700   8.7835   31.953   5.1593   0.0000   0.0000   31.953   5.1593  ?   ?   108.700   8.7835      ?      ? 
1 1 1   16   13   16 o   77.906   11.841   16.426   4.9848   0.0000   0.0000   16.426   4.9848  ?   ?    77.906   11.841      ?      ? 
1 1 1   16   13   17 o  449.258   6.5315  545.596   15.856   0.0000   0.0000  545.596   15.856  ?   ?   449.258   6.5315      ?      ? 
1 1 1   16   13   18 o  701.113   8.9448  1329.38   33.888   0.0000   0.0000  1329.38   33.888  ?   ?   701.113   8.9448      ?      ? 
1 1 1   16   13   19 o  231.536   6.9460  144.932   8.6904   0.0000   0.0000  144.932   8.6904  ?   ?   231.536   6.9460      ?      ? 
1 1 1   16   13   20 o  165.953   6.6866   74.455   5.9963   0.0000   0.0000   74.455   5.9963  ?   ?   165.953   6.6866      ?      ? 
1 1 1   16   13   21 o  345.089   5.9032  321.904   11.008   0.0000   0.0000  321.904   11.008  ?   ?   345.089   5.9032      ?      ? 
1 1 1   16   13   22 o  219.043   5.8716  129.697   6.9498   0.0000   0.0000  129.697   6.9498  ?   ?   219.043   5.8716      ?      ? 
1 1 1   16   13   23 o  443.441   6.5397  531.659   15.670   0.0000   0.0000  531.659   15.670  ?   ?   443.441   6.5397      ?      ? 
1 1 1   16   13   24 o  861.907   13.206  1977.99   56.003  2121.17  105.068  1921.18   66.188  882.180   22.041  841.634   14.554 40.54578 26.41220 
1 1 1   16   13   25 o  563.635   10.500  862.099   31.964  848.649   45.682  875.000   44.739  559.285   15.116  567.984   14.577 -8.699219 20.99918 
1 1 1   16   13   26 o  492.376   6.8319  656.280   18.176  644.560   25.651  668.096   25.757  487.955   9.7284  496.797   9.5947 -8.842133 13.66381 
1 1 1   16   13   27 o  562.367   10.450  856.793   31.755   0.0000   0.0000  856.793   31.755  ?   ?   562.367   10.450      ?      ? 
1 1 1   16   13   28 o  772.142   13.601  1618.79   56.747   0.0000   0.0000  1618.79   56.747  ?   ?   772.142   13.601      ?      ? 
1 1 1   16   13   29 o  308.201   5.6235  257.794   9.3279  248.220   13.668  266.141   12.761  302.802   8.3535  313.600   7.5307 -10.79840 11.24692 
1 1 1   16   13   31 o  141.788   6.7779   53.893   4.9987   56.721   8.3772   52.329   6.2292  144.584   10.722  138.991   8.2939 5.592407 13.55572 
1 1 1   16   13   32 o  129.296   7.3369   46.078   4.7800   43.372   8.3191   47.412   5.8404  126.308   12.189  132.284   8.1704 -5.976158 14.67382 
1 1 1   16   13   33 o  143.395   7.9140   55.716   6.1323   0.0000   0.0000   55.716   6.1323  ?   ?   143.395   7.9140      ?      ? 
1 1 1   16   13   34 o  456.473   8.9230  565.326   22.010   0.0000   0.0000  565.326   22.010  ?   ?   456.473   8.9230      ?      ? 
1 1 1   16   13   35 o   63.358   11.462   8.8288   4.0787   20.304   7.2872   3.5940   4.9219   84.578   16.537   42.138   15.875 42.44005 22.92362 
1 1 1   16   13   36 o  480.742   9.2734  627.870   24.090   0.0000   0.0000  627.870   24.090  ?   ?   480.742   9.2734      ?      ? 
1 1 1   16   13   37 o   91.551   10.656   22.826   5.2715   0.0000   0.0000   22.826   5.2715  ?   ?    91.551   10.656      ?      ? 
1 1 1   16   13   38 o  219.759   7.0097  131.010   8.3240   0.0000   0.0000  131.010   8.3240  ?   ?   219.759   7.0097      ?      ? 
1 1 1   16   13   39 o  200.283   7.2439  108.908   7.8398   0.0000   0.0000  108.908   7.8398  ?   ?   200.283   7.2439      ?      ? 
1 1 1   16   13   40 o  434.174   8.7686  513.209   20.572   0.0000   0.0000  513.209   20.572  ?   ?   434.174   8.7686      ?      ? 
1 1 1   16   13   41 f   47.090   12.309   3.5731   4.1354   8.8820   7.0330   0.7676   5.1125   57.526   19.243   36.654   15.355 20.87214 24.61833 
1 1 1   16   13   42 o  320.901   5.5504  280.116   9.6000  284.828   14.140  276.088   13.075  323.322   8.0933  318.481   7.5978 4.840485 11.10074 
1 1 1   16   13   43 o  160.189   6.2266   70.292   5.2926   68.935   8.2640   71.236   6.8913  158.704   9.6364  161.673   7.8882 -2.968719 12.45323 
1 1 1   16   13   44 o  314.838   5.4936  269.282   9.3012  280.018   13.959  260.709   12.474  320.350   8.0638  309.325   7.4627 11.02478 10.98711 
1 1 1   16   13   45 o  246.738   7.3641  164.886   8.9788  160.946   10.664  174.482   16.642  242.659   8.1327  250.816   12.279 -8.156876 14.72821 
1 1 1   16   13   46 o  276.891   8.3601  212.413   12.482  209.505   17.059  215.766   18.313  275.058   11.477  278.724   12.159 -3.665771 16.72018 
1 1 1   16   13   47 o   34.568   11.978 -18.0862   7.2807 -19.2185   9.4115 -16.3986   11.490   31.250   15.423   37.886   18.331 -6.636784 23.95633 
1 1 1   16   13   48 o   92.954   15.310   27.302   7.8144   33.784   10.399   18.894   11.843  108.030   17.815   77.878   24.904 30.15189 30.62005 
1 1 1   16   13   49 o  104.758   8.6771   30.235   4.8392   33.801   7.6692   27.876   6.2377  109.587   12.951   99.929   11.552 9.658684 17.35423 
1 1 1   16   13   50 o   69.820   12.403   15.352   4.6941   11.518   7.5569   17.762   5.9898   61.950   19.902   77.690   14.809 -15.73954 24.80699 
1 1 1   16   13   51 o   64.668   14.307   8.0698   5.3537   24.504   10.908   2.8552   6.1446   87.070   22.885   42.265   17.179 44.80465 28.61494 
1 1 1   16   13   52 o  285.542   7.6343  227.660   11.630  230.405   17.958  225.676   15.264  286.266   11.609  284.819   9.9176 1.447357 15.26851 
1 1 1   16   13   53 o  227.878   7.5790  142.311   9.0849  161.599   14.986  131.104   11.423  239.031   11.603  216.725   9.7543 22.30620 15.15797 
1 1 1   16   13   54 o  235.572   6.5067  152.128   8.1613  140.585   10.526  169.527   12.923  224.969   8.6587  246.174   9.7146 -21.20500 13.01332 
1 1 1   16   13   55 o   44.808   12.962   3.8324   4.9529   4.3278   7.5037   3.4499   6.5933   46.347   18.927   43.269   17.714 3.077759 25.92358 
1 1 1   16   13   56 o   58.372   13.985   10.393   5.2623   12.654   7.8354   8.5364   7.1026   62.840   20.274   53.904   19.268 8.935802 27.96937 
1 1 1   16   13   57 o  145.137   7.5305   60.122   5.8842   61.376   8.7350   59.080   7.9616  146.211   11.056  144.063   10.227 2.147446 15.06091 
1 1 1   16   13   58 o   64.300   13.686   13.832   5.2599   19.113   7.9483   9.7178   7.0159   74.335   19.533   54.264   19.176 20.07103 27.37277 
1 1 1   16   13   59 o   49.299   13.603   6.6723   5.2423   10.457   8.1072   3.9529   6.8724   55.467   20.476   43.132   17.913 12.33523 27.20580 
1 1 1   16   14    0 o  400.232   9.0767  432.991   19.582  439.414   28.814  427.477   26.694  402.970   13.233  397.495   12.428 5.474884 18.15340 
1 1 1   16   14    1 o  543.584   10.665  796.566   31.257  749.099   42.502  852.477   46.128  526.031   14.952  561.136   15.213 -35.10504 21.33067 
1 1 1   16   14    2 o  905.980   15.907  2226.78   77.845  2256.76  111.872  2198.65  108.390  911.851   22.704  900.109   22.285 11.74103 31.81342 
1 1 1   16   14    3 o  432.339   13.666  505.856   31.927  505.856   31.927   0.0000   0.0000  432.339   13.666  ?   ?       ?      ? 
1 1 1   16   14    4 o  424.448   8.1016  494.722   17.279  466.892   30.266  508.178   21.045  415.362   13.485  433.533   8.9834 -18.17111 16.20314 
1 1 1   16   14    7 o  641.320   8.3510  1112.68   28.940  1104.51   40.843  1120.91   41.011  638.955   11.829  643.685   11.791 -4.730713 16.70193 
1 1 1   16   14    9 o  1068.89   13.041  3096.45   75.307  3052.14  105.095  3143.22  107.963  1061.05   18.330  1076.72   18.556 -15.67004 26.08263 
1 1 1   16   14   11 o  606.570   7.3712  997.466   23.707  983.863   37.185  1006.78   30.772  603.005   11.412  610.135   9.3334 -7.130615 14.74249 
1 1 1   16   14   12 o  646.843   9.4791  1135.92   29.235  1126.35   56.679  1139.39   34.125  644.656   16.271  649.029   9.7302 -4.373108 18.95821 
1 1 1   16   14   13 o  605.415   9.2613  991.329   30.298   0.0000   0.0000  991.329   30.298  ?   ?   605.415   9.2613      ?      ? 
1 1 1   16   14   14 o  545.228   7.4219  803.718   21.867   0.0000   0.0000  803.718   21.867  ?   ?   545.228   7.4219      ?      ? 
1 1 1   16   14   15 o  800.880   10.027  1735.05   43.394   0.0000   0.0000  1735.05   43.394  ?   ?   800.880   10.027      ?      ? 
1 1 1   16   14   16 o  490.550   8.2415  650.703   21.846   0.0000   0.0000  650.703   21.846  ?   ?   490.550   8.2415      ?      ? 
1 1 1   16   14   17 o  412.528   9.4930  460.338   21.161   0.0000   0.0000  460.338   21.161  ?   ?   412.528   9.4930      ?      ? 
1 1 1   16   14   18 o  379.072   6.1484  388.443   12.594   0.0000   0.0000  388.443   12.594  ?   ?   379.072   6.1484      ?      ? 
1 1 1   16   14   19 o  317.806   6.0626  273.025   10.411   0.0000   0.0000  273.025   10.411  ?   ?   317.806   6.0626      ?      ? 
1 1 1   16   14   20 o  167.864   7.0789   76.187   6.4211   0.0000   0.0000   76.187   6.4211  ?   ?   167.864   7.0789      ?      ? 
1 1 1   16   14   21 o  335.580   5.9356  304.438   10.763   0.0000   0.0000  304.438   10.763  ?   ?   335.580   5.9356      ?      ? 
1 1 1   16   14   22 o  109.108   9.1122   32.212   5.3724   0.0000   0.0000   32.212   5.3724  ?   ?   109.108   9.1122      ?      ? 
1 1 1   16   14   23 o  460.630   9.1690  574.146   22.822   0.0000   0.0000  574.146   22.822  ?   ?   460.630   9.1690      ?      ? 
1 1 1   16   14   24 o  618.344   9.2022  1034.77   30.747   0.0000   0.0000  1034.77   30.747  ?   ?   618.344   9.2022      ?      ? 
1 1 1   16   14   25 o  794.427   12.287  1689.21   48.274  1787.39   89.476  1648.90   57.335  809.352   20.459  779.502   13.612 29.84937 24.57323 
1 1 1   16   14   26 o  512.902   13.557  714.189   37.573   0.0000   0.0000  714.189   37.573  ?   ?   512.902   13.557      ?      ? 
1 1 1   16   14   27 o  207.270   6.2157  115.289   6.8985  123.700   10.630  109.170   9.0669  213.722   9.2048  200.819   8.3554 12.90266 12.43143 
1 1 1   16   14   28 o  266.219   7.8395  191.836   11.278   0.0000   0.0000  191.836   11.278  ?   ?   266.219   7.8395      ?      ? 
1 1 1   16   14   29 o  455.144   6.5365  560.063   16.058  528.793   22.128  594.847   23.338  441.751   9.2698  468.537   9.2180 -26.78635 13.07294 
1 1 1   16   14   30 o  135.334   7.8429   50.623   5.5097   46.282   8.9383   53.284   6.9972  130.470   12.678  140.199   9.2362 -9.728897 15.68576 
1 1 1   16   14   31 o  108.044   8.7479   32.143   4.8619   30.422   8.1293   33.101   6.0664  105.649   14.240  110.439   10.165 -4.789474 17.49578 
1 1 1   16   14   32 o  215.018   5.7651  126.140   6.5880  120.447   10.161  130.268   8.6530  210.738   8.9232  219.299   7.3020 -8.561279 11.53010 
1 1 1   16   14   33 o  469.145   9.1527  597.416   23.203   0.0000   0.0000  597.416   23.203  ?   ?   469.145   9.1527      ?      ? 
1 1 1   16   14   35 o  148.851   6.8223   61.360   5.2348   56.231   8.6321   64.343   6.5836  143.692   11.117  154.009   7.9110 -10.31667 13.64459 
1 1 1   16   14   36 o  237.285   7.0843  152.678   9.0835   0.0000   0.0000  152.678   9.0835  ?   ?   237.285   7.0843      ?      ? 
1 1 1   16   14   37 o   50.972   12.836   5.8057   4.2178   8.2075   7.4824   4.6871   5.1064   56.926   19.827   45.019   16.307 11.90688 25.67123 
1 1 1   16   14   38 o  142.241   6.7956   55.292   4.9958   54.609   8.3625   55.671   6.2296  141.374   10.947  143.108   8.0558 -1.733170 13.59124 
1 1 1   16   14   39 o   54.125   12.797   7.8232   4.2553   6.5704   7.5639   8.4033   5.1470   53.617   19.781   54.633   16.242 -1.016510 25.59467 
1 1 1   16   14   40 o   56.408   12.945   7.9858   4.3016   11.391   7.5873   6.3730   5.2219   63.577   19.885   49.239   16.580 14.33737 25.89025 
1 1 1   16   14   41 o  192.258   7.4232  100.585   7.7119   0.0000   0.0000  100.585   7.7119  ?   ?   192.258   7.4232      ?      ? 
1 1 1   16   14   42 o  217.681   7.2269  128.964   8.5008   0.0000   0.0000  128.964   8.5008  ?   ?   217.681   7.2269      ?      ? 
1 1 1   16   14   43 o  109.893   8.4346   33.364   4.8504   33.223   7.8954   33.450   6.1472  109.410   13.355  110.376   10.307 -0.9657364 16.86922 
1 1 1   16   14   44 o   84.008   14.016   24.443   6.6369   31.688   7.9392   7.6306   12.094  106.527   13.792   61.489   24.404 45.03726 28.03138 
1 1 1   16   14   45 o  142.837   11.577   59.618   8.5855   66.351   11.173   49.910   13.416  154.112   13.417  131.562   18.871 22.55003 23.15427 
1 1 1   16   14   46 o  167.027   10.114   76.146   8.9449   66.689   11.347   91.667   14.537  154.091   13.628  179.963   14.949 -25.87196 20.22837 
1 1 1   16   14   47 o  111.012   10.067   33.235   5.4602   38.626   10.505   31.240   6.3915  115.965   16.763  106.058   11.152 9.907143 20.13424 
1 1 1   16   14   48 o  167.794   8.4617   81.791   6.6106   72.410   12.796   85.207   7.7208  159.426   14.853  176.162   8.1107 -16.73564 16.92334 
1 1 1   16   14   49 o   71.525   15.359   14.107   5.8724   21.203   11.495   11.601   6.8310   81.048   24.313   62.002   18.775 19.04568 30.71828 
1 1 1   16   14   50 o  196.730   8.2744  108.946   8.3354  108.311   14.206  109.279   10.293  195.038   13.480  198.422   9.6002 -3.383499 16.54875 
1 1 1   16   14   51 o  260.006   7.7130  187.434   10.540  196.554   17.167  181.914   13.354  264.071   12.030  255.941   9.6557 8.130341 15.42590 
1 1 1   16   14   52 o  151.882   7.0217   63.929   5.7034   67.908   8.8176   61.068   7.4784  155.627   10.485  148.137   9.3424 7.489944 14.04349 
1 1 1   16   14   53 o  144.997   7.4524   59.820   5.7562   52.777   8.5274   65.716   7.8020  136.486   11.562  153.508   9.4056 -17.02231 14.90472 
1 1 1   16   14   54 o   98.348   9.9374   28.352   5.2488   29.366   7.9174   27.556   7.0108   99.522   14.722   97.174   13.351 2.347443 19.87483 
1 1 1   16   14   55 o  116.585   8.9614   39.067   5.6286   40.316   8.3350   38.020   7.6314  118.066   13.064  115.103   12.270 2.964058 17.92273 
1 1 1   16   14   56 o   51.266   13.392   5.9146   5.1874   13.022   8.0467   0.8603   6.7856   62.934   20.563   39.598   17.164 23.33585 26.78472 
1 1 1   16   14   57 o   76.774   12.563   20.816   5.3682   13.154   8.2208   26.513   7.0882   60.501   20.798   93.048   14.097 -32.54657 25.12574 
1 1 1   16   14   58 o  133.014   8.3973   52.800   5.8948   45.135   8.8465   58.920   7.9055  122.810   13.331  143.217   10.215 -20.40714 16.79450 
1 1 1   16   15    0 o  432.266   8.1255  507.473   17.804  511.254   21.741  499.775   31.021  434.818   9.2529  429.713   13.360 5.104187 16.25099 
1 1 1   16   15    1 o  441.306   8.3169  514.985   18.085  498.743   21.379  555.856   33.913  429.464   9.2123  453.148   13.850 -23.68399 16.63371 
1 1 1   16   15    2 o  477.534   10.188  614.373   26.223  572.748   35.601  663.739   38.770  459.945   14.324  495.123   14.491 -35.17719 20.37568 
1 1 1   16   15    3 f  454.919   10.006  558.786   24.537  580.631   36.250  540.315   33.334  463.080   14.487  446.758   13.808 16.32208 20.01290 
1 1 1   16   15    4 o  140.522   16.995   61.729   11.643   27.680   17.538   88.559   15.568  100.238   30.023  180.805   15.935 -80.56758 33.98954 
1 1 1   16   15    5 o  769.195   13.971  1604.82   58.061  1576.58   81.286  1634.23   82.961  762.291   19.734  776.097   19.782 -13.80597 27.94176 
1 1 1   16   15    6 o  759.997   11.855  1592.96   46.898  1456.31   75.609  1678.42   59.790  732.687   19.097  787.307   14.054 -54.62079 23.71090 
1 1 1   16   15    7 o  600.014   7.9809  973.902   25.873  958.874   36.245  989.516   36.945  595.297   11.267  604.731   11.306 -9.433960 15.96177 
1 1 1   16   15    9 o  634.877   8.3186  1090.77   28.537  1081.56   40.125  1100.19   40.593  632.167   11.746  637.587   11.782 -5.420105 16.63712 
1 1 1   16   15   10 o  870.005   10.829  2050.45   50.904  2026.31   71.269  2075.59   72.731  864.788   15.251  875.221   15.378 -10.43311 21.65849 
1 1 1   16   15   11 o  509.562   8.4336  700.604   22.035  709.459   37.778  696.038   27.128  511.861   13.658  507.263   9.8968 4.596985 16.86715 
1 1 1   16   15   12 o  138.316   11.980   51.778   8.9537   0.0000   0.0000   51.778   8.9537  ?   ?   138.316   11.980      ?      ? 
1 1 1   16   15   13 o  513.111   9.8967  712.195   27.440   0.0000   0.0000  712.195   27.440  ?   ?   513.111   9.8967      ?      ? 
1 1 1   16   15   14 o  255.545   6.1860  176.525   8.5420   0.0000   0.0000  176.525   8.5420  ?   ?   255.545   6.1860      ?      ? 
1 1 1   16   15   15 o  744.665   9.4672  1500.06   38.095   0.0000   0.0000  1500.06   38.095  ?   ?   744.665   9.4672      ?      ? 
1 1 1   16   15   16 o  778.049   9.8186  1637.75   41.280   0.0000   0.0000  1637.75   41.280  ?   ?   778.049   9.8186      ?      ? 
1 1 1   16   15   17 o  388.855   8.4738  408.943   17.806   0.0000   0.0000  408.943   17.806  ?   ?   388.855   8.4738      ?      ? 
1 1 1   16   15   18 o  318.388   6.0747  274.036   10.451   0.0000   0.0000  274.036   10.451  ?   ?   318.388   6.0747      ?      ? 
1 1 1   16   15   19 o  182.820   7.8648   90.397   7.7696   0.0000   0.0000   90.397   7.7696  ?   ?   182.820   7.8648      ?      ? 
1 1 1   16   15   20 o  202.098   10.909  110.590   11.913   0.0000   0.0000  110.590   11.913  ?   ?   202.098   10.909      ?      ? 
1 1 1   16   15   21 o  374.999   6.8019  380.261   13.783   0.0000   0.0000  380.261   13.783  ?   ?   374.999   6.8019      ?      ? 
1 1 1   16   15   22 o  270.894   9.2130  198.603   13.486   0.0000   0.0000  198.603   13.486  ?   ?   270.894   9.2130      ?      ? 
1 1 1   16   15   23 o  185.740   6.5181   93.304   6.5420   0.0000   0.0000   93.304   6.5420  ?   ?   185.740   6.5181      ?      ? 
1 1 1   16   15   24 o  453.354   7.4122  556.101   18.158   0.0000   0.0000  556.101   18.158  ?   ?   453.354   7.4122      ?      ? 
1 1 1   16   15   25 o  319.943   7.2099  271.049   11.349  292.568   21.334  262.557   13.403  328.421   12.021  311.464   7.9635 16.95731 14.41979 
1 1 1   16   15   26 o  644.054   10.229  1123.46   33.091  1138.74   59.057  1116.47   39.952  646.521   16.904  641.587   11.524 4.934021 20.45873 
1 1 1   16   15   27 o  253.686   5.9879  174.518   8.1895  170.467   11.914  178.147   11.275  250.868   8.7890  256.503   8.1349 -5.635025 11.97589 
1 1 1   16   15   28 o  283.070   8.5269  217.083   13.043  217.083   13.043   0.0000   0.0000  283.070   8.5269  ?   ?       ?      ? 
1 1 1   16   15   29 o   83.788   11.918   17.111   5.3987   35.502   9.0409   6.9194   6.7304  114.120   14.661   53.456   18.793 60.66337 23.83550 
1 1 1   16   15   30 o  458.358   9.1582  569.806   22.683   0.0000   0.0000  569.806   22.683  ?   ?   458.358   9.1582      ?      ? 
1 1 1   16   15   31 o  306.161   5.7750  254.952   9.5185  241.596   13.838  266.947   13.114  298.472   8.5797  313.851   7.7324 -15.37897 11.54998 
1 1 1   16   15   32 o  130.425   9.4108   46.203   6.6324   0.0000   0.0000   46.203   6.6324  ?   ?   130.425   9.4108      ?      ? 
1 1 1   16   15   33 o  199.296   6.1096  110.324   6.3917   95.306   9.8878  121.104   8.3773  187.242   9.7726  211.350   7.3352 -24.10785 12.21920 
1 1 1   16   15   34 o  204.438   5.9718  115.023   6.4212  106.075   10.106  121.082   8.3156  197.554   9.4667  211.323   7.2822 -13.76852 11.94355 
1 1 1   16   15   35 o  164.322   6.5740   72.800   5.5874   75.614   9.4548   71.291   6.9261  166.592   10.503  162.052   7.9095 4.540039 13.14806 
1 1 1   16   15   36 o   59.626   12.916   8.6707   4.4282   14.449   7.7514   5.8711   5.3953   70.834   19.592   48.417   16.837 22.41723 25.83282 
1 1 1   16   15   37 o   35.839   11.450  -3.1916   4.3569  -1.4734   7.8125  -3.9672   5.2490   41.539   18.203   30.139   13.893 11.39941 22.89905 
1 1 1   16   15   38 o  280.795   5.5879  214.871   8.4481  207.889   12.365  220.984   11.570  276.421   8.2778  285.170   7.5083 -8.748840 11.17574 
1 1 1   16   15   39 o  217.100   5.7692  127.760   6.6520  131.304   10.481  125.369   8.6082  219.467   8.8374  214.732   7.4187 4.735123 11.53847 
1 1 1   16   15   40 o  139.856   7.1001   53.711   5.1744   52.943   8.4925   54.164   6.5256  138.809   11.322  140.904   8.5705 -2.094788 14.20017 
1 1 1   16   15   41 o  300.933   12.113  249.775   19.698   0.0000   0.0000  249.775   19.698  ?   ?   300.933   12.113      ?      ? 
1 1 1   16   15   42 o  258.949   12.542  185.586   17.549   0.0000   0.0000  185.586   17.549  ?   ?   258.949   12.542      ?      ? 
1 1 1   16   15   43 o  172.324   9.9777   82.589   9.2322   78.919   12.278   87.365   14.005  168.191   13.509  176.456   14.687 -8.265411 19.95531 
1 1 1   16   15   44 o  109.526   13.953   33.526   7.8725   22.196   10.093   51.126   12.580   85.287   21.814  133.766   17.404 -48.47934 27.90566 
1 1 1   16   15   45 o  129.771   19.029   49.032   13.344   0.0000   0.0000   49.032   13.344  ?   ?   129.771   19.029      ?      ? 
1 1 1   16   15   46 o  161.754   9.2916   70.046   7.3869   81.824   14.095   65.586   8.6735  169.574   15.382  153.933   10.427 15.64120 18.58317 
1 1 1   16   15   47 o   98.434   13.633   28.802   6.2887   29.482   12.248   28.559   7.3285   96.292   23.699  100.577   13.484 -4.284447 27.26628 
1 1 1   16   15   48 o  185.095   9.6497  106.904   8.5957   68.176   13.992  130.383   10.894  153.032   16.920  217.157   9.2838 -64.12538 19.29944 
1 1 1   16   15   49 o   30.610   10.370  -9.6316   5.0434 -15.6355   7.6648  -5.0473   6.6976   28.111   13.882   33.109   15.410 -4.998718 20.74080 
1 1 1   16   15   50 o  166.995   6.6886   76.952   5.9550   79.818   9.2735   74.942   7.7684  169.305   10.136  164.685   8.7294 4.619232 13.37724 
1 1 1   16   15   51 o   39.057   11.902  -0.1915   4.7930  -5.4433   7.4797   3.4678   6.2434   34.799   16.226   43.315   17.418 -8.515755 23.80469 
1 1 1   16   15   52 o  121.733   8.5509   42.296   5.5643   40.943   8.4174   43.347   7.4157  119.504   13.035  123.962   11.071 -4.457550 17.10172 
1 1 1   16   15   53 f   69.809   13.719   15.824   5.3204   16.659   8.1512   15.204   7.0226   70.947   20.258   68.671   18.507 2.276062 27.43870 
1 1 1   16   15   54 o   48.152   13.522   5.1236   5.3947   1.6290   8.2959   7.6840   7.1010   44.207   19.070   52.098   19.175 -7.890728 27.04309 
1 1 1   16   15   55 o  145.185   10.219   59.572   8.0168   0.0000   0.0000   59.572   8.0168  ?   ?   145.185   10.219      ?      ? 
1 1 1   16   15   56 f   70.980   13.920   17.985   5.5266   16.777   8.5060   18.867   7.2701   67.582   21.041   74.378   18.230 -6.795753 27.83977 
1 1 1   16   15   57 o   97.781   11.543   30.810   5.7528   24.730   8.6077   35.718   7.7337   85.906   19.043  109.656   13.052 -23.75069 23.08631 
1 1 1   16   15   58 f   77.810   13.243   21.100   5.4700   22.026   8.2649   20.378   7.2968   78.523   19.553   77.098   17.864 1.424400 26.48516 
1 1 1   16   16    0 o  791.434   12.404  1674.14   48.991  1636.13   58.598  1762.39   89.293  777.266   13.952  805.602   20.512 -28.33649 24.80710 
1 1 1   16   16    1 o  610.358   10.281  1008.55   31.393  1010.59   56.301  1007.64   37.818  610.509   17.066  610.208   11.469 0.3016968 20.56186 
1 1 1   16   16    2 o  575.345   9.9444  888.792   28.254  915.541   52.205  877.712   33.600  581.140   16.624  569.550   10.917 11.58936 19.88872 
1 1 1   16   16    3 o  631.902   8.3774  1079.94   28.594  1054.01   39.766  1107.70   41.145  624.058   11.792  639.747   11.902 -15.68915 16.75474 
1 1 1   16   16    4 o  534.229   7.4824  771.692   21.593  754.593   30.062  789.917   31.035  528.122   10.534  540.335   10.629 -12.21313 14.96485 
1 1 1   16   16    5 o  364.206   8.3212  350.000   14.939  337.776   17.652  380.856   28.045  353.396   9.2435  375.016   13.839 -21.62030 16.64233 
1 1 1   16   16    6 o  581.120   11.635  915.552   36.529  899.099   51.857  931.757   51.466  575.914   16.663  586.328   16.244 -10.41412 23.27085 
1 1 1   16   16    7 o  908.920   16.201  2242.40   79.487  2171.17  109.390  2322.07  115.698  893.717   22.651  924.123   23.169 -30.40656 32.40176 
1 1 1   16   16    8 o  670.218   12.868  1210.06   46.418  1126.13   62.352  1314.41   69.522  644.368   17.907  696.069   18.483 -51.70117 25.73531 
1 1 1   16   16    9 o  614.575   12.185  1022.82   40.439  981.081   56.018  1068.24   58.438  601.499   17.235  627.651   17.230 -26.15161 24.37051 
1 1 1   16   16   10 o  1026.12   15.648  2841.05   80.577  2921.17  144.545  2804.94   97.055  1035.38   25.836  1016.87   17.663 18.50623 31.29636 
1 1 1   16   16   11 o  638.902   10.040  1109.61   33.005  1093.47   55.779  1118.30   40.942  635.047   16.255  642.756   11.788 -7.708618 20.07906 
1 1 1   16   16   12 o  705.956   9.1120  1348.06   34.760   0.0000   0.0000  1348.06   34.760  ?   ?   705.956   9.1120      ?      ? 
1 1 1   16   16   13 o  729.878   9.3389  1441.05   36.833   0.0000   0.0000  1441.05   36.833  ?   ?   729.878   9.3389      ?      ? 
1 1 1   16   16   14 o  490.514   7.1172  650.524   18.865   0.0000   0.0000  650.524   18.865  ?   ?   490.514   7.1172      ?      ? 
1 1 1   16   16   15 o  272.733   7.9982  201.158   11.787   0.0000   0.0000  201.158   11.787  ?   ?   272.733   7.9982      ?      ? 
1 1 1   16   16   16 o  580.480   11.450  912.355   35.915   0.0000   0.0000  912.355   35.915  ?   ?   580.480   11.450      ?      ? 
1 1 1   16   16   17 o  1072.88   13.091  3119.54   75.897   0.0000   0.0000  3119.54   75.897  ?   ?   1072.88   13.091      ?      ? 
1 1 1   16   16   18 o  307.169   6.1614  255.101   10.227   0.0000   0.0000  255.101   10.227  ?   ?   307.169   6.1614      ?      ? 
1 1 1   16   16   19 o  206.976   8.4031  115.895   9.3983   0.0000   0.0000  115.895   9.3983  ?   ?   206.976   8.4031      ?      ? 
1 1 1   16   16   20 o  428.695   7.3344  497.094   16.990   0.0000   0.0000  497.094   16.990  ?   ?   428.695   7.3344      ?      ? 
1 1 1   16   16   21 o  316.706   6.1629  271.250   10.547   0.0000   0.0000  271.250   10.547  ?   ?   316.706   6.1629      ?      ? 
1 1 1   16   16   22 o  283.047   6.0041  216.663   9.1832   0.0000   0.0000  216.663   9.1832  ?   ?   283.047   6.0041      ?      ? 
1 1 1   16   16   23 o  188.163   11.048   95.978   11.234   0.0000   0.0000   95.978   11.234  ?   ?   188.163   11.048      ?      ? 
1 1 1   16   16   24 o  397.847   6.3800  428.159   13.716   0.0000   0.0000  428.159   13.716  ?   ?   397.847   6.3800      ?      ? 
1 1 1   16   16   25 o  234.350   6.5204  148.587   8.2571   0.0000   0.0000  148.587   8.2571  ?   ?   234.350   6.5204      ?      ? 
1 1 1   16   16   26 o  278.035   11.938  209.955   17.936  209.955   17.936   0.0000   0.0000  278.035   11.938  ?   ?       ?      ? 
1 1 1   16   16   27 o  121.056   12.410   42.098   7.6047   32.613   11.465   49.550   10.162  107.227   20.535  134.885   13.942 -27.65828 24.82036 
1 1 1   16   16   28 o  157.071   7.5441   67.297   6.3409   64.651   9.5543   69.380   8.4768  154.238   11.464  159.904   9.8104 -5.666000 15.08830 
1 1 1   16   16   29 o  300.050   5.9789  244.663   9.6673  234.504   14.016  253.880   13.351  294.049   8.8211  306.050   8.0731 -12.00092 11.95774 
1 1 1   16   16   30 o  393.401   6.2536  420.292   13.284  408.435   18.975  431.687   18.603  387.915   9.0523  398.888   8.6305 -10.97198 12.50717 
1 1 1   16   16   31 o  225.567   6.0762  139.493   7.3307  124.061   10.749  152.909   10.023  213.697   9.3088  237.437   7.8120 -23.73994 12.15241 
1 1 1   16   16   33 o   90.006   11.123   22.962   5.0304   21.586   8.3612   23.743   6.2978   86.786   18.400   93.227   12.501 -6.441650 22.24519 
1 1 1   16   16   34 o  203.525   7.5706  112.440   8.3260   0.0000   0.0000  112.440   8.3260  ?   ?   203.525   7.5706      ?      ? 
1 1 1   16   16   35 o  337.318   5.8682  309.588   10.670  306.050   15.592  312.704   14.634  335.425   8.6022  339.211   7.9839 -3.785614 11.73632 
1 1 1   16   16   36 o  210.448   7.5908  120.334   8.6321   0.0000   0.0000  120.334   8.6321  ?   ?   210.448   7.5908      ?      ? 
1 1 1   16   16   37 o  158.382   6.9371   68.082   5.7345   69.930   9.4750   67.015   7.2036  159.868   10.968  156.895   8.4968 2.973694 13.87418 
1 1 1   16   16   38 o  189.838   8.6229  100.398   8.2814  102.933   10.154   95.360   14.313  194.085   9.6814  185.590   14.272 8.494827 17.24588 
1 1 1   16   16   39 o  187.227   14.802   97.523   14.976   0.0000   0.0000   97.523   14.976  ?   ?   187.227   14.802      ?      ? 
1 1 1   16   16   40 o  254.535   8.7434  179.014   12.010  181.036   16.617  176.802   17.377  256.199   12.003  252.870   12.717 3.329880 17.48685 
1 1 1   16   16   41 o  195.544   9.4165  106.312   9.9304  107.590   13.675  104.887   14.443  196.974   12.848  194.114   13.770 2.859711 18.83294 
1 1 1   16   16   42 f  149.092   16.834   63.153   13.562   0.0000   0.0000   63.153   13.562  ?   ?   149.092   16.834      ?      ? 
1 1 1   16   16   43 o   74.324   17.099   16.333   6.7244   0.0000   0.0000   16.333   6.7244  ?   ?    74.324   17.099      ?      ? 
1 1 1   16   16   44 o  205.792   8.9933  119.913   8.8818  115.045   16.800  121.802   10.464  201.190   15.453  210.393   9.2037 -9.203812 17.98660 
1 1 1   16   16   45 o  162.668   9.8005   71.196   7.5635   81.982   15.217   67.658   8.7164  168.963   16.667  156.373   10.315 12.58954 19.60104 
1 1 1   16   16   46 o  172.601   7.3222   82.901   6.8046   76.083   9.7175   89.459   9.5316  165.386   10.873  179.816   9.8096 -14.43015 14.64443 
1 1 1   16   16   47 o  223.841   7.8808  137.666   9.5323   0.0000   0.0000  137.666   9.5323  ?   ?   223.841   7.8808      ?      ? 
1 1 1   16   16   48 o  154.376   7.4158   68.405   5.9919   55.027   9.0354   78.907   8.0056  139.774   11.963  168.979   8.7674 -29.20436 14.83153 
1 1 1   16   16   49 o   67.003   13.095   14.231   5.0413   9.8286   7.8687   17.296   6.5659   58.271   20.330   75.735   16.510 -17.46466 26.18915 
1 1 1   16   16   50 o  107.158   9.5904   32.123   5.4765   38.579   8.6614   27.823   7.0688  115.762   13.846   98.554   13.273 17.20777 19.18081 
1 1 1   16   16   51 o   76.616   12.963   18.390   5.2408   18.088   8.1703   18.602   6.8314   75.285   19.814   77.948   16.720 -2.662659 25.92588 
1 1 1   16   16   52 o  138.387   8.2552   56.145   6.0056   45.608   8.9364   64.823   8.1100  125.151   13.214  151.622   9.8985 -26.47147 16.51045 
1 1 1   16   16   53 o   66.819   13.938   14.744   5.6373   9.5229   8.5333   18.788   7.5093   56.768   20.997   76.869   18.335 -20.10099 27.87585 
1 1 1   16   16   54 o   44.722   12.917  -0.3013   5.5619   10.269   8.4109  -8.5153   7.4144   57.863   20.933   31.581   15.138 26.28246 25.83336 
1 1 1   16   16   55 o  108.248   13.634   35.636   7.9753   0.0000   0.0000   35.636   7.9753  ?   ?   108.248   13.634      ?      ? 
1 1 1   16   16   56 o   69.513   13.677   16.742   5.6176   10.795   8.1676   22.081   7.7387   57.038   20.629   81.988   17.964 -24.95015 27.35444 
1 1 1   16   16   57 o  155.307   7.8319   70.582   6.5323   75.480   9.9088   66.818   8.6874  159.543   11.494  151.071   10.642 8.472305 15.66382 
1 1 1   16   17    0 o  358.903   9.1469  348.381   17.739   0.0000   0.0000  348.381   17.739  ?   ?   358.903   9.1469      ?      ? 
1 1 1   16   17    1 o  166.070   12.934   77.043   9.2112   71.171   20.375   78.552   10.327  161.762   23.310  170.378   11.217 -8.616058 25.86811 
1 1 1   16   17    2 o  601.340   8.1727  978.202   26.551  952.723   37.118  1004.90   37.994  593.323   11.577  609.357   11.539 -16.03363 16.34550 
1 1 1   16   17    3 o  602.835   8.2422  983.632   26.847  977.224   38.128  989.933   37.809  600.880   11.743  604.790   11.569 -3.910339 16.48444 
1 1 1   16   17    7 o  1225.73   14.895  4080.77   98.596  3996.16  136.570  4172.87  142.488  1212.55   20.843  1238.92   21.284 -26.36316 29.79007 
1 1 1   16   17    8 f  172.439   11.259   80.479   10.491   80.479   10.491   0.0000   0.0000  172.439   11.259  ?   ?       ?      ? 
1 1 1   16   17    9 o  986.844   24.699  2653.15  131.711   0.0000   0.0000  2653.15  131.711  ?   ?   986.844   24.699      ?      ? 
1 1 1   16   17   12 o  222.105   11.337  133.550   13.607   0.0000   0.0000  133.550   13.607  ?   ?   222.105   11.337      ?      ? 
1 1 1   16   17   14 o  658.388   12.533  1174.49   44.590   0.0000   0.0000  1174.49   44.590  ?   ?   658.388   12.533      ?      ? 
1 1 1   16   17   15 o  329.857   7.4494  294.269   13.278   0.0000   0.0000  294.269   13.278  ?   ?   329.857   7.4494      ?      ? 
1 1 1   16   17   16 o  633.629   12.226  1087.74   41.861   0.0000   0.0000  1087.74   41.861  ?   ?   633.629   12.226      ?      ? 
1 1 1   16   17   17 o  308.704   8.1722  257.825   13.632   0.0000   0.0000  257.825   13.632  ?   ?   308.704   8.1722      ?      ? 
1 1 1   16   17   18 o  235.469   7.5976  150.005   9.6671   0.0000   0.0000  150.005   9.6671  ?   ?   235.469   7.5976      ?      ? 
1 1 1   16   17   19 o  266.364   6.2885  191.888   9.0513   0.0000   0.0000  191.888   9.0513  ?   ?   266.364   6.2885      ?      ? 
1 1 1   16   17   20 o  357.003   9.8412  345.239   18.985   0.0000   0.0000  345.239   18.985  ?   ?   357.003   9.8412      ?      ? 
1 1 1   16   17   21 o  297.924   7.7466  240.213   12.471   0.0000   0.0000  240.213   12.471  ?   ?   297.924   7.7466      ?      ? 
1 1 1   16   17   22 o  327.091   6.2086  289.395   10.974   0.0000   0.0000  289.395   10.974  ?   ?   327.091   6.2086      ?      ? 
1 1 1   16   17   23 o  237.016   6.4341  151.986   8.2405   0.0000   0.0000  151.986   8.2405  ?   ?   237.016   6.4341      ?      ? 
1 1 1   16   17   24 o  213.946   6.5077  123.865   7.5234   0.0000   0.0000  123.865   7.5234  ?   ?   213.946   6.5077      ?      ? 
1 1 1   16   17   25 o  229.908   10.555  143.468   13.113   0.0000   0.0000  143.468   13.113  ?   ?   229.908   10.555      ?      ? 
1 1 1   16   17   26 o  100.815   10.710   27.600   5.8346   0.0000   0.0000   27.600   5.8346  ?   ?   100.815   10.710      ?      ? 
1 1 1   16   17   27 o  245.334   7.0824  162.101   8.2136  166.126   16.263  160.722   9.5165  247.078   12.181  243.590   7.2299 3.487793 14.16485 
1 1 1   16   17   28 o  282.630   10.734  217.185   16.394   0.0000   0.0000  217.185   16.394  ?   ?   282.630   10.734      ?      ? 
1 1 1   16   17   29 o  335.824   8.2951  306.015   15.053   0.0000   0.0000  306.015   15.053  ?   ?   335.824   8.2951      ?      ? 
1 1 1   16   17   30 o  193.410   6.7952  100.983   7.0377  106.577   10.814   96.874   9.2691  197.964   10.109  188.856   9.0828 9.108856 13.59036 
1 1 1   16   17   31 o   97.973   11.473   27.604   5.6830   23.572   9.0093   30.269   7.3239   90.692   18.992  105.254   12.877 -14.56213 22.94624 
1 1 1   16   17   32 o  215.986   6.2945  126.137   7.2443  130.802   11.310  122.892   9.4335  219.255   9.5460  212.717   8.2070 6.538406 12.58893 
1 1 1   16   17   33 o  271.045   6.0403  200.877   8.7964  181.389   12.668  219.021   12.224  258.167   9.0809  283.922   7.9673 -25.75531 12.08059 
1 1 1   16   17   34 o  243.686   12.638  162.883   16.642   0.0000   0.0000  162.883   16.642  ?   ?   243.686   12.638      ?      ? 
1 1 1   16   17   35 o  151.510   10.033   62.736   7.9109   61.275   9.8842   65.338   13.195  149.467   12.238  153.553   15.903 -4.087021 20.06650 
1 1 1   16   17   36 o  304.737   8.4620  255.114   13.922  261.036   19.436  248.874   19.951  308.494   11.659  300.980   12.267 7.513245 16.92405 
1 1 1   16   17   37 o   72.299   17.376   14.635   8.1714   16.948   10.657   11.333   12.730   76.154   23.525   68.444   25.580 7.710213 34.75282 
1 1 1   16   17   38 o  483.903   10.166  649.540   26.552  678.829   38.674  623.423   36.520  494.099   14.485  473.707   14.267 20.39267 20.33119 
1 1 1   16   17   40 o  130.432   11.487   46.982   8.0962   0.0000   0.0000   46.982   8.0962  ?   ?   130.432   11.487      ?      ? 
1 1 1   16   17   41 o  205.018   9.2960  115.383   10.299   0.0000   0.0000  115.383   10.299  ?   ?   205.018   9.2960      ?      ? 
1 1 1   16   17   42 o   51.675   13.647   5.6471   5.9015 -17.6554   13.585   11.068   6.5521   41.964   20.212   61.385   18.342 -19.42120 27.29418 
1 1 1   16   17   43 o   91.735   10.658   23.741   4.9785   25.921   8.3092   22.519   6.2182   93.792   17.022   89.679   12.832 4.113167 21.31639 
1 1 1   16   17   44 o  149.880   7.3861   63.280   5.7508   57.969   9.2963   66.572   7.3195  144.138   11.936  155.623   8.7040 -11.48485 14.77216 
1 1 1   16   17   45 o  158.942   7.1206   70.434   5.9537   68.077   9.4808   71.968   7.6503  156.247   11.229  161.637   8.7589 -5.389923 14.24119 
1 1 1   16   17   46 o   57.525   13.364   9.8713   4.8840   6.6297   8.0481   11.761   6.1448   52.677   20.190   62.373   17.513 -9.696499 26.72710 
1 1 1   16   17   47 o   66.484   13.701   13.052   5.1057   16.728   8.3917   10.892   6.4335   72.983   20.456   59.985   18.233 12.99723 27.40245 
1 1 1   16   17   48 o   57.633   13.710   9.8438   5.1148   7.4233   7.9730   11.537   6.6676   53.733   20.212   61.534   18.530 -7.801647 27.42059 
1 1 1   16   17   49 o  144.812   7.9593   60.486   6.0510   51.496   9.2561   67.195   7.9963  134.337   12.751  155.287   9.5295 -20.94930 15.91851 
1 1 1   16   17   50 o  108.159   11.944   40.894   5.8927   18.239   9.2846   56.175   7.6254   74.660   21.711  141.658   9.9616 -66.99833 23.88762 
1 1 1   16   17   51 o   56.738   13.673   9.9474   5.4855   3.3064   8.6640   14.391   7.0867   46.824   19.822   66.651   18.840 -19.82730 27.34663 
1 1 1   16   17   52 o   53.583   14.106   7.8234   5.4813   10.619   8.2343   5.5992   7.3451   58.662   20.770   48.504   19.091 10.15811 28.21145 
1 1 1   16   17   53 o   42.407   12.867   0.2958   5.6388  -6.0136   8.3471   5.5920   7.6476   36.072   16.924   48.743   19.387 -12.67130 25.73414 
1 1 1   16   17   54 o  113.704   10.762   42.033   5.9472   26.689   8.5824   56.206   8.2488   88.747   18.496  138.660   11.009 -49.91348 21.52469 
1 1 1   16   17   55 f  103.454   11.172   34.117   5.8530   26.080   8.5934   41.072   7.9938   88.853   18.499  118.054   12.531 -29.20124 22.34382 
1 1 1   16   17   56 f   93.306   12.199   28.184   5.9088   40.746   9.0461   18.836   7.8035  114.096   14.672   72.515   19.494 41.58100 24.39874 
1 1 1   16   18    0 o  232.878   19.896  147.320   25.038  147.320   25.038   0.0000   0.0000  232.878   19.896  ?   ?       ?      ? 
1 1 1   16   18    2 o  488.839   10.249  646.570   27.074   0.0000   0.0000  646.570   27.074  ?   ?   488.839   10.249      ?      ? 
1 1 1   16   18    3 o  222.130   10.374  133.512   12.452   0.0000   0.0000  133.512   12.452  ?   ?   222.130   10.374      ?      ? 
1 1 1   16   18    5 o  218.090   7.4064  128.838   8.7179  125.460   12.536  132.002   12.132  215.308   10.775  220.871   10.165 -5.562653 14.81282 
1 1 1   16   18    6 o  324.300   6.8185  284.511   11.943  285.789   17.172  283.313   16.622  324.999   9.7779  323.602   9.5058 1.397736 13.63703 
1 1 1   16   18    7 o  446.561   7.0647  539.667   17.042  538.896   24.401  540.401   23.812  446.241   10.119  446.882   9.8610 -0.6410522 14.12945 
1 1 1   16   18    8 o  581.795   8.0243  916.527   25.227  911.447   35.668  921.611   35.684  580.179   11.377  583.411   11.319 -3.232422 16.04850 
1 1 1   16   18   10 o  285.644   6.7021  220.278   9.7060  222.342   17.009  219.282   11.819  286.554   10.985  284.734   7.6818 1.820007 13.40416 
1 1 1   16   18   11 o  357.635   7.4314  345.917   14.361   0.0000   0.0000  345.917   14.361  ?   ?   357.635   7.4314      ?      ? 
1 1 1   16   18   12 o   91.231   13.417   22.561   6.6145   0.0000   0.0000   22.561   6.6145  ?   ?    91.231   13.417      ?      ? 
1 1 1   16   18   13 o  382.782   6.6186  396.212   13.690   0.0000   0.0000  396.212   13.690  ?   ?   382.782   6.6186      ?      ? 
1 1 1   16   18   14 o  248.551   8.7629  167.186   11.769   0.0000   0.0000  167.186   11.769  ?   ?   248.551   8.7629      ?      ? 
1 1 1   16   18   16 o  192.403   11.884  100.382   12.355   0.0000   0.0000  100.382   12.355  ?   ?   192.403   11.884      ?      ? 
1 1 1   16   18   17 o  384.116   9.7924  399.659   20.325   0.0000   0.0000  399.659   20.325  ?   ?   384.116   9.7924      ?      ? 
1 1 1   16   18   18 o  182.032   12.355   89.904   12.153   0.0000   0.0000   89.904   12.153  ?   ?   182.032   12.355      ?      ? 
1 1 1   16   18   21 o  136.980   15.920   51.146   11.784   0.0000   0.0000   51.146   11.784  ?   ?   136.980   15.920      ?      ? 
1 1 1   16   18   24 o  184.077   12.926   92.242   12.857   0.0000   0.0000   92.242   12.857  ?   ?   184.077   12.926      ?      ? 
1 1 1   16   18   25 o  116.491   18.765   37.300   11.812   0.0000   0.0000   37.300   11.812  ?   ?   116.491   18.765      ?      ? 
1 1 1   16   18   26 o  209.575   14.466  120.045   16.383   0.0000   0.0000  120.045   16.383  ?   ?   209.575   14.466      ?      ? 
1 1 1   16   18   27 o  217.680   9.7895  129.389   11.493  126.982   15.708  132.162   16.859  215.570   13.485  219.790   14.195 -4.219711 19.57907 
1 1 1   16   18   28 o  101.545   22.316   29.797   11.911   29.797   11.911   0.0000   0.0000  101.545   22.316  ?   ?       ?      ? 
1 1 1   16   18   29 o  211.291   9.8839  122.576   11.183  125.203   14.946  119.234   16.857  214.070   12.920  208.511   14.961 5.558487 19.76787 
1 1 1   16   18   30 o  252.817   8.9297  175.164   12.171  183.851   16.953  165.923   17.485  259.426   12.093  246.209   13.142 13.21703 17.85933 
1 1 1   16   18   31 o  149.017   11.420   60.082   9.1009   51.464   11.927   72.095   14.081  136.484   16.172  161.550   16.130 -25.06570 22.84093 
1 1 1   16   18   32 o  272.249   8.7073  203.628   12.762  223.198   18.021  183.941   18.074  285.597   11.677  258.901   12.919 26.69589 17.41453 
1 1 1   16   18   33 o  304.767   8.7198  255.078   14.331  273.649   20.260  236.486   20.272  316.052   11.863  293.483   12.783 22.56815 17.43967 
1 1 1   16   18   34 o  204.962   9.7139  115.841   10.752  117.522   15.026  114.077   15.393  206.567   13.462  203.356   14.008 3.211121 19.42776 
1 1 1   16   18   36 f  208.422   10.445  119.099   11.763   0.0000   0.0000  119.099   11.763  ?   ?   208.422   10.445      ?      ? 
1 1 1   16   18   37 o   83.080   17.687   19.657   7.3137   20.860   17.108   19.387   8.0902   84.995   29.955   81.164   18.813 3.830650 35.37307 
1 1 1   16   18   38 o  274.127   9.1928  219.232   12.878  158.716   19.725  264.189   17.001  238.037   15.335  310.217   10.142 -72.18007 18.38555 
1 1 1   16   18   39 o   70.300   14.032   15.160   5.7579   9.6927   9.0609   18.863   7.4571   60.666   21.755   79.933   17.729 -19.26693 28.06389 
1 1 1   16   18   40 o  151.511   7.3419   64.102   5.8111   59.821   9.3273   66.818   7.4291  146.899   11.750  156.123   8.8061 -9.223770 14.68383 
1 1 1   16   18   41 o   92.819   11.216   26.151   5.0737   20.998   8.5329   28.969   6.3104   83.478   19.302  102.160   11.431 -18.68192 22.43273 
1 1 1   16   18   42 o  119.222   9.2425   43.024   5.4088   30.319   8.8905   50.489   6.8151  103.046   15.966  135.398   9.3148 -32.35220 18.48493 
1 1 1   16   18   43 o  106.022   9.6043   31.254   5.2826   33.313   8.9074   30.137   6.5609  108.099   15.249  103.945   11.681 4.153755 19.20859 
1 1 1   16   18   44 o   84.522   11.807   22.314   5.0636   16.345   8.1580   26.054   6.4583   72.764   20.088   96.279   12.414 -23.51443 23.61435 
1 1 1   16   18   45 o   90.077   11.163   24.133   5.1106   22.325   8.2120   25.275   6.5290   85.595   18.308   94.558   12.778 -8.962791 22.32649 
1 1 1   16   18   46 o  143.916   7.6675   57.791   5.8093   58.545   9.3434   57.316   7.4173  144.132   11.997  143.701   9.5522 0.4312897 15.33498 
1 1 1   16   18   47 o   95.289   11.437   28.797   5.3180   20.083   8.5405   34.316   6.7965   80.060   19.842  110.517   11.381 -30.45705 22.87376 
1 1 1   16   18   48 o   71.830   13.535   15.448   5.2758   20.890   8.5869   12.148   6.6867   81.141   19.767   62.520   18.495 18.62093 27.07042 
1 1 1   16   18   49 o   57.320   14.454   9.5917   5.4864   10.353   9.1856   9.1697   6.8406   59.248   21.808   55.393   18.975 3.854706 28.90774 
1 1 1   16   18   50 o   39.796   12.366  -0.5159   5.3448  -6.4587   8.5735   3.2618   6.8357   36.179   17.030   43.413   17.934 -7.233898 24.73178 
1 1 1   16   18   51 o  201.847   6.8292  114.674   7.4049  110.374   10.949  118.299   10.052  197.885   10.240  205.809   9.0389 -7.923935 13.65836 
1 1 1   16   18   52 o   59.670   14.589   11.230   5.7400   13.393   8.4365   9.3652   7.8322   63.740   21.066   55.601   20.187 8.138550 29.17707 
1 1 1   16   18   53 o   37.222   12.046  -2.8670   5.6879  -9.0514   8.5821   1.9776   7.5958   33.090   15.970   41.354   18.040 -8.264206 24.09296 
1 1 1   16   18   54 o   63.976   14.322   14.317   5.7308   10.529   8.5512   17.405   7.7213   56.592   21.002   71.360   19.479 -14.76742 28.64432 
1 1 1   16   18   55 o   71.313   14.030   18.232   5.6118   21.444   8.3753   15.614   7.5597   77.049   19.957   65.577   19.727 11.47211 28.06084 
1 1 1   16   19    0 o  256.784   9.8029  178.461   13.602   0.0000   0.0000  178.461   13.602  ?   ?   256.784   9.8029      ?      ? 
1 1 1   16   19    1 o  574.715   8.0332  893.355   24.931  860.909   34.525  928.711   36.040  563.827   11.332  585.602   11.389 -21.77460 16.06638 
1 1 1   16   19    2 o  378.334   6.8632  387.204   14.021  367.035   19.610  408.298   20.055  368.250   9.8548  388.418   9.5551 -20.16867 13.72650 
1 1 1   16   19    3 o  296.150   6.8408  237.354   10.947  239.361   15.547  235.380   15.417  297.392   9.6743  294.908   9.6744 2.483612 13.68161 
1 1 1   16   19    4 o  709.713   9.3274  1364.90   35.767  1343.23   50.163  1387.31   51.013  703.984   13.187  715.441   13.195 -11.45654 18.65481 
1 1 1   16   19    6 o  613.981   8.4008  1021.15   27.868  1020.29   39.714  1021.97   39.116  613.716   11.975  614.246   11.785 -0.5297852 16.80150 
1 1 1   16   19    7 o  259.571   6.8871  181.788   9.6346  189.963   14.259  174.920   13.069  264.914   9.9610  254.229   9.5133 10.68475 13.77410 
1 1 1   16   19    8 o  533.111   10.871  769.646   31.315   0.0000   0.0000  769.646   31.315  ?   ?   533.111   10.871      ?      ? 
1 1 1   16   19    9 o  684.243   10.878  1237.99   36.919  1354.73   68.614  1190.43   43.800  705.737   17.992  662.749   12.230 42.98859 21.75547 
1 1 1   16   19   10 o  427.908   7.3090  513.907   15.845  440.540   26.546  554.512   19.749  403.121   12.186  452.696   8.0732 -49.57480 14.61802 
1 1 1   16   19   11 o  486.882   10.861  642.327   28.574   0.0000   0.0000  642.327   28.574  ?   ?   486.882   10.861      ?      ? 
1 1 1   16   19   12 o  344.280   6.5483  320.598   12.182   0.0000   0.0000  320.598   12.182  ?   ?   344.280   6.5483      ?      ? 
1 1 1   16   19   13 o  374.354   8.5566  379.371   17.309   0.0000   0.0000  379.371   17.309  ?   ?   374.354   8.5566      ?      ? 
1 1 1   16   19   14 o  242.515   6.7626  159.102   8.8622   0.0000   0.0000  159.102   8.8622  ?   ?   242.515   6.7626      ?      ? 
1 1 1   16   19   15 o  361.515   6.4280  353.521   12.557   0.0000   0.0000  353.521   12.557  ?   ?   361.515   6.4280      ?      ? 
1 1 1   16   19   16 o  440.564   9.1553  525.718   21.796   0.0000   0.0000  525.718   21.796  ?   ?   440.564   9.1553      ?      ? 
1 1 1   16   19   17 o   81.921   15.265   18.846   6.5090   0.0000   0.0000   18.846   6.5090  ?   ?    81.921   15.265      ?      ? 
1 1 1   16   19   18 o  345.713   8.3207  323.698   15.544   0.0000   0.0000  323.698   15.544  ?   ?   345.713   8.3207      ?      ? 
1 1 1   16   19   19 o  362.355   6.4913  355.327   12.710   0.0000   0.0000  355.327   12.710  ?   ?   362.355   6.4913      ?      ? 
1 1 1   16   19   20 o  290.986   6.8258  229.212   10.733   0.0000   0.0000  229.212   10.733  ?   ?   290.986   6.8258      ?      ? 
1 1 1   16   19   21 o  335.409   6.4378  304.509   11.668   0.0000   0.0000  304.509   11.668  ?   ?   335.409   6.4378      ?      ? 
1 1 1   16   19   22 o   96.048   11.582   25.083   6.0111   0.0000   0.0000   25.083   6.0111  ?   ?    96.048   11.582      ?      ? 
1 1 1   16   19   23 o   98.239   11.221   26.245   5.9567   0.0000   0.0000   26.245   5.9567  ?   ?    98.239   11.221      ?      ? 
1 1 1   16   19   24 o  100.664   11.425   27.586   6.2148   0.0000   0.0000   27.586   6.2148  ?   ?   100.664   11.425      ?      ? 
1 1 1   16   19   25 o  285.872   6.7266  221.437   10.391   0.0000   0.0000  221.437   10.391  ?   ?   285.872   6.7266      ?      ? 
1 1 1   16   19   26 o  181.983   7.2205   89.778   7.1005   0.0000   0.0000   89.778   7.1005  ?   ?   181.983   7.2205      ?      ? 
1 1 1   16   19   27 o  546.264   10.520  812.307   31.053   0.0000   0.0000  812.307   31.053  ?   ?   546.264   10.520      ?      ? 
1 1 1   16   19   28 o  253.158   7.1594  165.826   8.6259  193.086   17.393  156.934   9.9337  265.845   12.107  240.471   7.6447 25.37407 14.31881 
1 1 1   16   19   29 o  151.790   10.695   63.297   8.7599   67.387   12.792   59.685   12.021  156.392   15.137  147.187   15.114 9.205002 21.39041 
1 1 1   16   19   30 o  176.047   11.937   95.026   8.9132   70.923   18.689  102.123   10.141  158.527   21.817  193.567   9.6951 -35.03983 23.87396 
1 1 1   16   19   31 o  116.806   15.863   33.146   9.1083   57.883   17.715   24.257   10.620  142.706   22.972   90.906   21.882 51.79973 31.72633 
1 1 1   16   19   32 o  246.811   9.7248  170.252   12.336  159.662   20.577  176.194   15.412  239.934   15.871  253.687   11.243 -13.75214 19.44964 
1 1 1   16   19   33 o  181.396   11.686   92.751   10.232   89.459   19.216   94.054   12.089  177.807   20.000  184.985   12.094 -7.177933 23.37242 
1 1 1   16   19   34 o   57.756   17.206   2.4535   8.0130   7.0315   16.204   0.9716   9.2191   67.577   27.730   47.935   20.377 19.64233 34.41179 
1 1 1   16   19   35 o   45.877   13.977  -0.0240   6.3059  -2.1553   9.4979   1.6561   8.4327   44.814   19.837   46.940   19.696 -2.126781 27.95381 
1 1 1   16   19   36 o  101.584   11.949   30.688   6.0673   24.930   9.6882   34.404   7.7824   91.717   20.103  111.451   12.922 -19.73324 23.89787 
1 1 1   16   19   37 o   89.508   12.489   23.062   5.6803   25.241   9.2981   21.765   7.1747   92.304   19.264   86.711   15.898 5.592644 24.97733 
1 1 1   16   19   38 o  136.047   8.3928   51.783   5.9666   49.335   9.6238   53.311   7.6045  132.937   13.397  139.156   10.113 -6.219269 16.78564 
1 1 1   16   19   39 o   51.937   13.603   4.8132   5.1450   11.531   8.4877   0.9107   6.4690   63.410   21.138   40.464   17.128 22.94633 27.20683 
1 1 1   16   19   40 o  117.777   9.0903   38.970   5.6104   38.249   9.0548   39.419   7.1479  116.365   14.400  119.189   11.098 -2.823776 18.18059 
1 1 1   16   19   41 o  115.583   9.7614   40.283   5.5668   29.651   9.2095   46.404   6.9878  101.567   16.780  129.599   9.9782 -28.03188 19.52279 
1 1 1   16   19   42 o  195.802   6.6373  105.352   6.8514  108.124   11.022  103.606   8.7466  197.449   10.330  194.155   8.3369 3.293442 13.27460 
1 1 1   16   19   43 o  180.090   8.5368   89.347   8.3075   0.0000   0.0000   89.347   8.3075  ?   ?   180.090   8.5368      ?      ? 
1 1 1   16   19   44 o   98.377   11.328   30.720   5.3611   21.182   8.7128   36.532   6.8009   82.485   19.799  114.269   11.014 -31.78402 22.65647 
1 1 1   16   19   45 o  160.285   7.3976   72.530   6.2148   67.756   9.8834   75.652   7.9928  155.190   11.786  165.379   8.9439 -10.18922 14.79517 
1 1 1   16   19   46 o  141.224   8.0966   57.699   5.9394   49.331   9.3566   63.347   7.6866  131.482   13.169  150.966   9.4226 -19.48427 16.19316 
1 1 1   16   19   47 o  177.891   7.3025   90.184   6.8462   80.525   10.560   97.188   8.9918  168.705   11.584  187.077   8.8948 -18.37195 14.60509 
1 1 1   16   19   48 o   45.365   13.112   3.2202   5.4034  -3.1790   8.8477   7.0265   6.8236   40.101   18.317   50.629   18.766 -10.52842 26.22414 
1 1 1   16   19   49 o  184.704   7.0735   96.245   6.9448   96.332   10.822   96.184   9.0550  184.057   10.881  185.352   9.0408 -1.294327 14.14708 
1 1 1   16   19   50 o  129.511   10.820   53.969   6.5278   30.285   9.7488   73.220   8.7891   97.713   19.148  161.310   10.083 -63.59647 21.64065 
1 1 1   16   19   51 o   81.143   12.825   20.133   5.8057   32.655   8.9817   11.146   7.6089  103.597   16.044   58.690   20.013 44.90790 25.65032 
1 1 1   16   19   52 f   46.450   12.908   0.5044   5.6767   14.519   8.6432 -10.1271   7.5280   63.025   21.331   29.874   14.543 33.15164 25.81674 
1 1 1   16   19   53 o   52.817   13.839   6.7324   5.7414   15.699   8.7152  -0.1428   7.6314   66.287   21.381   39.346   17.576 26.94138 27.67822 
1 1 1   16   19   54 o   87.539   13.071   26.798   6.0273   23.074   9.2169   29.580   7.9669   78.510   21.220   96.569   15.267 -18.05919 26.14152 
1 1 1   16   20    1 o  278.670   7.0042  210.246   10.546  205.542   14.815  215.078   15.015  275.508   9.9515  281.832   9.8592 -6.324829 14.00844 
1 1 1   16   20    2 o   51.628   15.005   0.9230   6.9959   6.6303   10.032  -4.4808   9.7614   59.156   22.573   44.100   19.776 15.05635 30.01066 
1 1 1   16   20    4 o  138.640   10.009   52.351   7.4741   48.337   10.693   56.186   10.451  133.394   14.835  143.887   13.441 -10.49292 20.01861 
1 1 1   16   20    5 o  344.145   9.5219  320.728   17.707   0.0000   0.0000  320.728   17.707  ?   ?   344.145   9.5219      ?      ? 
1 1 1   16   20    7 o  213.312   7.1753  123.331   8.2666  126.636   11.626  119.951   11.756  216.215   9.9509  210.409   10.340 5.806015 14.35052 
1 1 1   16   20    9 o  144.583   8.6163   58.393   6.4946   49.032   10.128   64.931   8.4642  134.358   13.949  154.809   10.118 -20.45064 17.23263 
1 1 1   16   20   10 o  284.288   7.4923  218.702   11.510   0.0000   0.0000  218.702   11.510  ?   ?   284.288   7.4923      ?      ? 
1 1 1   16   20   11 o  199.873   7.7205  108.120   8.3385   0.0000   0.0000  108.120   8.3385  ?   ?   199.873   7.7205      ?      ? 
1 1 1   16   20   12 o  365.558   6.6352  361.529   13.107   0.0000   0.0000  361.529   13.107  ?   ?   365.558   6.6352      ?      ? 
1 1 1   16   20   13 o  606.046   12.143  996.995   39.766   0.0000   0.0000  996.995   39.766  ?   ?   606.046   12.143      ?      ? 
1 1 1   16   20   14 o  303.148   10.477  249.227   17.162   0.0000   0.0000  249.227   17.162  ?   ?   303.148   10.477      ?      ? 
1 1 1   16   20   15 o  295.519   6.6560  236.341   10.629   0.0000   0.0000  236.341   10.629  ?   ?   295.519   6.6560      ?      ? 
1 1 1   16   20   16 o  166.791   8.2127   75.364   7.4019   0.0000   0.0000   75.364   7.4019  ?   ?   166.791   8.2127      ?      ? 
1 1 1   16   20   17 o  122.259   10.495   40.572   6.9337   0.0000   0.0000   40.572   6.9337  ?   ?   122.259   10.495      ?      ? 
1 1 1   16   20   18 o  274.743   6.6474  204.344   9.8689   0.0000   0.0000  204.344   9.8689  ?   ?   274.743   6.6474      ?      ? 
1 1 1   16   20   19 o  277.843   6.9994  209.055   10.509   0.0000   0.0000  209.055   10.509  ?   ?   277.843   6.9994      ?      ? 
1 1 1   16   20   20 o  497.799   9.9186  672.876   26.680   0.0000   0.0000  672.876   26.680  ?   ?   497.799   9.9186      ?      ? 
1 1 1   16   20   21 o  282.745   10.851  217.434   16.579   0.0000   0.0000  217.434   16.579  ?   ?   282.745   10.851      ?      ? 
1 1 1   16   20   22 f  435.665   9.1106  515.470   21.448   0.0000   0.0000  515.470   21.448  ?   ?   435.665   9.1106      ?      ? 
1 1 1   16   20   23 o  118.906   9.8217   38.437   6.3108   0.0000   0.0000   38.437   6.3108  ?   ?   118.906   9.8217      ?      ? 
1 1 1   16   20   24 o  122.169   10.049   40.591   6.6338   0.0000   0.0000   40.591   6.6338  ?   ?   122.169   10.049      ?      ? 
1 1 1   16   20   25 o  150.396   9.5754   61.511   7.7818   0.0000   0.0000   61.511   7.7818  ?   ?   150.396   9.5754      ?      ? 
1 1 1   16   20   27 o  150.985   9.3313   62.066   7.6131   0.0000   0.0000   62.066   7.6131  ?   ?   150.985   9.3313      ?      ? 
1 1 1   16   20   28 o  104.629   12.089   29.986   6.8351   0.0000   0.0000   29.986   6.8351  ?   ?   104.629   12.089      ?      ? 
1 1 1   16   20   29 o  288.277   7.6755  225.842   11.957   0.0000   0.0000  225.842   11.957  ?   ?   288.277   7.6755      ?      ? 
1 1 1   16   20   30 o  119.076   14.021   40.132   8.6737   51.351   12.876   30.811   11.736  135.671   17.563  102.480   21.860 33.19154 28.04132 
1 1 1   16   20   31 f  142.636   9.2501   57.192   6.9775   46.124   10.194   66.947   9.5707  129.041   14.620  156.232   11.337 -27.19031 18.50023 
1 1 1   16   20   32 o   65.177   14.760   11.836   6.2264   5.8183   9.3177   16.691   8.3694   55.078   21.556   75.276   20.168 -20.19818 29.52002 
1 1 1   16   20   33 o  104.771   11.543   31.426   6.3037   28.727   9.3781   33.650   8.5139   99.506   18.108  110.035   14.319 -10.52845 23.08551 
1 1 1   16   20   34 o   45.472   13.674   0.9276   5.8348  -0.5695   9.1175   1.9660   7.5933   45.625   19.836   45.319   18.826 0.3053513 27.34748 
1 1 1   16   20   35 o  100.774   11.362   29.076   5.9701   28.106   9.0644   29.820   7.9342   98.191   17.736  103.357   14.206 -5.165779 22.72418 
1 1 1   16   20   36 o  282.122   8.3447  217.783   12.721   0.0000   0.0000  217.783   12.721  ?   ?   282.122   8.3447      ?      ? 
1 1 1   16   20   37 o   54.319   13.923   5.2379   5.6380   13.624   8.8115  -0.5754   7.3363   67.916   21.456   40.723   17.748 27.19279 27.84529 
1 1 1   16   20   38 o   65.910   14.346   12.781   5.5422   14.035   8.6628   11.911   7.2111   68.410   21.223   63.411   19.310 4.999008 28.69288 
1 1 1   16   20   39 o  185.275   6.8110   94.423   6.7143   96.064   10.484   93.282   8.7422  186.318   10.414  184.231   8.7815 2.087799 13.62191 
1 1 1   16   20   40 o  289.086   8.1146  229.326   12.676   0.0000   0.0000  229.326   12.676  ?   ?   289.086   8.1146      ?      ? 
1 1 1   16   20   41 o   75.796   17.277   17.300   6.9189   0.0000   0.0000   17.300   6.9189  ?   ?    75.796   17.277      ?      ? 
1 1 1   16   20   42 o  235.710   8.0402  152.834   10.241   0.0000   0.0000  152.834   10.241  ?   ?   235.710   8.0402      ?      ? 
1 1 1   16   20   43 o  138.522   8.0514   51.418   5.8698   65.341   9.7506   43.504   7.3509  152.350   11.844  124.694   10.910 27.65646 16.10282 
1 1 1   16   20   44 o   87.807   12.226   22.360   5.4522   27.714   9.0449   19.304   6.8332   95.437   18.203   80.176   16.327 15.26097 24.45245 
1 1 1   16   20   45 o   41.469   12.374   0.0092   5.2811  -9.1247   8.5073   5.7359   6.7362   34.479   16.442   48.458   18.496 -13.97816 24.74757 
1 1 1   16   20   46 o   78.440   13.574   19.125   5.5637   20.758   9.1531   18.168   7.0068   80.141   20.914   76.739   17.309 3.402054 27.14797 
1 1 1   16   20   47 o  109.051   10.161   34.739   5.8276   36.261   9.4360   33.800   7.4095  109.973   15.879  108.129   12.681 1.844238 20.32109 
1 1 1   16   20   48 o  191.163   7.1507  103.894   7.2127   98.608   11.313  107.515   9.3623  186.080   11.251  196.245   8.8287 -10.16464 14.30137 
1 1 1   16   20   49 o   65.480   14.197   14.163   5.7852   8.7532   9.0023   17.969   7.5508   55.926   21.373   75.033   18.692 -19.10715 28.39390 
1 1 1   16   20   50 o  176.423   9.5362   88.501   9.0912   0.0000   0.0000   88.501   9.0912  ?   ?   176.423   9.5362      ?      ? 
1 1 1   16   20   51 o   40.510   12.713  -0.5142   5.5303   4.4684   8.6547  -3.9526   7.1894   46.851   19.821   34.169   15.924 12.68195 25.42517 
1 1 1   16   20   52 o   95.049   12.263   29.639   6.0055   27.761   9.3476   30.959   7.8369   89.593   19.832  100.506   14.430 -10.91387 24.52621 
1 1 1   16   21    0 o  193.219   11.538  101.245   12.047  101.245   12.047   0.0000   0.0000  193.219   11.538  ?   ?       ?      ? 
1 1 1   16   21    1 o  115.087   12.480   36.630   7.5437   41.685   10.801   31.816   10.541  123.758   16.151  106.416   19.029 17.34174 24.95914 
1 1 1   16   21    2 o  440.076   7.1350  524.317   16.959  504.621   23.613  545.303   24.374  431.542   10.126  448.609   10.055 -17.06735 14.26996 
1 1 1   16   21    3 o  235.917   7.2389  150.803   9.2274  147.828   12.966  153.857   13.135  233.557   10.274  238.277   10.201 -4.719467 14.47789 
1 1 1   16   21    4 o  283.938   6.9027  218.387   10.588  211.486   14.871  225.482   15.079  279.382   9.8504  288.493   9.6726 -9.111481 13.80539 
1 1 1   16   21    5 o  548.995   7.9433  817.082   23.559  792.759   33.000  842.364   33.644  540.655   11.295  557.336   11.171 -16.68158 15.88669 
1 1 1   16   21    6 o  143.315   9.7918   55.876   7.5485   49.207   10.561   62.841   10.793  134.522   14.529  152.108   13.131 -17.58643 19.58363 
1 1 1   16   21    8 o  169.675   8.1666   74.611   7.2632   92.905   12.226   64.634   9.0291  184.979   12.232  154.370   10.824 30.60815 16.33323 
1 1 1   16   21    9 o   95.758   11.643   24.321   5.7835   31.937   9.3465   19.596   7.3623  108.242   15.980   83.273   16.938 24.96870 23.28604 
1 1 1   16   21   10 o  236.930   8.7990  152.101   11.265   0.0000   0.0000  152.101   11.265  ?   ?   236.930   8.7990      ?      ? 
1 1 1   16   21   11 o  122.514   11.358   40.756   7.5196   0.0000   0.0000   40.756   7.5196  ?   ?   122.514   11.358      ?      ? 
1 1 1   16   21   12 o  487.420   11.312  645.242   29.793   0.0000   0.0000  645.242   29.793  ?   ?   487.420   11.312      ?      ? 
1 1 1   16   21   13 o  377.756   10.966  387.516   22.385   0.0000   0.0000  387.516   22.385  ?   ?   377.756   10.966      ?      ? 
1 1 1   16   21   14 o   68.281   19.499   13.123   7.5512   0.0000   0.0000   13.123   7.5512  ?   ?    68.281   19.499      ?      ? 
1 1 1   16   21   15 o  214.958   7.9926  125.213   9.2838   0.0000   0.0000  125.213   9.2838  ?   ?   214.958   7.9926      ?      ? 
1 1 1   16   21   16 o  197.775   8.2360  106.035   8.8019   0.0000   0.0000  106.035   8.8019  ?   ?   197.775   8.2360      ?      ? 
1 1 1   16   21   18 f  242.098   8.7376  159.062   11.431   0.0000   0.0000  159.062   11.431  ?   ?   242.098   8.7376      ?      ? 
1 1 1   16   21   19 o  130.743   12.113   46.611   8.5575   0.0000   0.0000   46.611   8.5575  ?   ?   130.743   12.113      ?      ? 
1 1 1   16   21   20 o  237.182   8.6727  152.724   11.115   0.0000   0.0000  152.724   11.115  ?   ?   237.182   8.6727      ?      ? 
1 1 1   16   21   21 o  237.098   8.6509  152.624   11.083   0.0000   0.0000  152.624   11.083  ?   ?   237.098   8.6509      ?      ? 
1 1 1   16   21   24 o  214.983   7.8016  125.518   9.0631   0.0000   0.0000  125.518   9.0631  ?   ?   214.983   7.8016      ?      ? 
1 1 1   16   21   25 o   75.599   16.909   16.442   6.7347   0.0000   0.0000   16.442   6.7347  ?   ?    75.599   16.909      ?      ? 
1 1 1   16   21   26 o  312.185   10.429  266.074   17.594   0.0000   0.0000  266.074   17.594  ?   ?   312.185   10.429      ?      ? 
1 1 1   16   21   27 o  178.492   10.135   86.972   9.7753   0.0000   0.0000   86.972   9.7753  ?   ?   178.492   10.135      ?      ? 
1 1 1   16   21   28 o  111.989   10.665   34.303   6.4538   0.0000   0.0000   34.303   6.4538  ?   ?   111.989   10.665      ?      ? 
1 1 1   16   21   29 o  231.933   7.3551  157.578   7.8131  127.207   15.154  168.575   9.1185  214.773   13.057  249.093   6.7745 -34.31989 14.71017 
1 1 1   16   21   30 o   61.454   14.796   8.6800   5.2951   14.673   10.543   6.6584   6.1234   71.784   23.542   51.125   17.929 20.65884 29.59136 
1 1 1   16   21   31 o  114.555   10.851   36.597   6.7134   38.320   9.6378   34.972   9.3568  117.204   15.218  111.907   15.473 5.297371 21.70251 
1 1 1   16   21   32 o   75.037   14.590   16.280   6.3274   23.047   9.2529   10.336   8.6719   88.219   19.886   61.855   21.356 26.36425 29.18046 
1 1 1   16   21   33 o  211.391   6.9587  123.363   7.8995  110.766   11.372  135.110   10.981  200.677   10.487  222.104   9.1498 -21.42709 13.91744 
1 1 1   16   21   34 o   55.831   14.827   7.3707   6.0490   7.4161   8.9292   7.3322   8.2234   56.429   21.353   55.233   20.576 1.196152 29.65320 
1 1 1   16   21   35 o  176.723   9.8534   85.936   9.4095   0.0000   0.0000   85.936   9.4095  ?   ?   176.723   9.8534      ?      ? 
1 1 1   16   21   36 o  179.580   11.078   89.368   10.750   89.368   10.750   0.0000   0.0000  179.580   11.078  ?   ?       ?      ? 
1 1 1   16   21   37 o  123.795   9.7967   44.409   6.3352   36.348   9.6655   50.481   8.3884  112.876   15.847  134.713   11.523 -21.83733 19.59341 
1 1 1   16   21   38 o   93.733   12.141   24.896   5.9469   31.638   9.3916   20.383   7.6836  104.929   16.564   82.536   17.755 22.39346 24.28143 
1 1 1   16   21   39 o   61.996   14.721   11.214   5.7332   11.371   9.1873   11.114   7.3371   62.797   21.964   61.194   19.605 1.603115 29.44120 
1 1 1   16   21   40 o   51.919   14.223   5.9067   5.6185   8.0253   8.8165   4.4580   7.2906   56.179   21.227   47.659   18.937 8.519421 28.44685 
1 1 1   16   21   41 o   89.617   12.158   23.093   5.7055   30.059   9.0284   18.461   7.3619  101.503   16.461   77.732   17.897 23.77092 24.31569 
1 1 1   16   21   42 o  137.269   8.5983   51.980   6.2227   58.451   10.182   48.123   7.8615  143.454   13.136  131.083   11.099 12.37094 17.19670 
1 1 1   16   21   43 o   75.470   13.818   18.837   5.8148   12.592   9.4668   22.620   7.3686   64.195   22.304   86.745   16.319 -22.54997 27.63693 
1 1 1   16   21   44 o  158.236   8.0258   73.235   6.5733   58.565   10.165   83.777   8.6174  142.940   13.161  173.532   9.1898 -30.59167 16.05168 
1 1 1   16   21   45 o  175.630   9.0841   85.991   8.6213   0.0000   0.0000   85.991   8.6213  ?   ?   175.630   9.0841      ?      ? 
1 1 1   16   21   46 o  113.605   11.783   44.246   6.1150   23.066   9.5581   58.922   7.9565   82.873   21.244  144.337   10.201 -61.46458 23.56677 
1 1 1   16   21   47 o   43.580   12.958   1.2321   5.6562  -7.2031   9.0810   6.5788   7.2298   37.019   17.456   50.141   19.156 -13.12234 25.91641 
1 1 1   16   21   48 o   47.757   13.786   4.6073   5.7021   1.2483   9.1380   6.7491   7.2970   45.189   19.748   50.325   19.240 -5.135345 27.57103 
1 1 1   16   21   49 f   82.913   12.633   25.248   5.8572   11.829   8.9856   35.162   7.7236   57.878   21.519  107.947   13.241 -50.06896 25.26634 
1 1 1   16   21   50 o   54.522   13.291   5.6530   5.6823   19.421   8.8418  -4.0343   7.4167   74.222   21.066   34.823   16.211 39.39902 26.58135 
1 1 1   16   21   51 o   93.528   12.701   31.959   6.1283   16.843   9.2829   43.635   8.1589   66.440   22.104  120.617   12.518 -54.17681 25.40282 
1 1 1   16   22    0 o  297.779   8.4071  240.496   13.518  252.703   19.534  229.279   18.725  305.024   11.852  290.534   11.927 14.49002 16.81421 
1 1 1   16   22    1 o  316.407   8.4205  270.650   14.362  252.703   19.507  291.892   21.222  305.018   11.835  327.796   11.981 -22.77768 16.84096 
1 1 1   16   22    2 f  195.942   9.2231  104.490   9.7570  106.959   13.626  101.892   13.977  198.351   12.713  193.533   13.365 4.818680 18.44610 
1 1 1   16   22    3 o  294.220   8.2265  235.196   13.074  238.514   18.324  231.757   18.659  296.359   11.443  292.081   11.822 4.278107 16.45296 
1 1 1   16   22    4 o  193.446   9.1231  101.529   9.5176   98.063   12.978  105.563   14.000  189.907   12.646  196.984   13.153 -7.077347 18.24619 
1 1 1   16   22    5 f  357.615   8.5132  347.193   16.436  338.964   22.674  356.306   23.861  353.182   11.880  362.048   12.196 -8.866211 17.02642 
1 1 1   16   22    6 o  312.675   8.3006  264.998   13.998  255.405   19.102  276.126   20.573  306.609   11.529  318.740   11.945 -12.13043 16.60124 
1 1 1   16   22    7 f  418.411   8.9555  474.240   20.188  451.577   27.303  501.577   29.985  407.488   12.400  429.334   12.925 -21.84586 17.91095 
1 1 1   16   22    8 o  199.863   8.8457  109.114   9.5127  117.635   13.248  100.045   13.668  208.028   11.785  191.698   13.194 16.32968 17.69140 
1 1 1   16   22    9 o  392.013   12.253  418.018   25.955   0.0000   0.0000  418.018   25.955  ?   ?   392.013   12.253      ?      ? 
1 1 1   16   22   11 o  528.584   10.840  759.214   30.963   0.0000   0.0000  759.214   30.963  ?   ?   528.584   10.840      ?      ? 
1 1 1   16   22   12 o  291.236   9.0331  230.123   14.216   0.0000   0.0000  230.123   14.216  ?   ?   291.236   9.0331      ?      ? 
1 1 1   16   22   15 o  151.151   18.973   63.119   15.497   0.0000   0.0000   63.119   15.497  ?   ?   151.151   18.973      ?      ? 
1 1 1   16   22   16 o  216.798   8.5849  127.591   10.057   0.0000   0.0000  127.591   10.057  ?   ?   216.798   8.5849      ?      ? 
1 1 1   16   22   17 o  180.082   8.1817   87.995   7.9616   0.0000   0.0000   87.995   7.9616  ?   ?   180.082   8.1817      ?      ? 
1 1 1   16   22   18 o  172.185   8.3318   80.472   7.7521   0.0000   0.0000   80.472   7.7521  ?   ?   172.185   8.3318      ?      ? 
1 1 1   16   22   19 o  165.563   16.171   75.445   14.467   0.0000   0.0000   75.445   14.467  ?   ?   165.563   16.171      ?      ? 
1 1 1   16   22   20 o  235.342   7.0132  150.217   8.9188   0.0000   0.0000  150.217   8.9188  ?   ?   235.342   7.0132      ?      ? 
1 1 1   16   22   21 o  143.532   9.1957   56.062   7.1322   0.0000   0.0000   56.062   7.1322  ?   ?   143.532   9.1957      ?      ? 
1 1 1   16   22   22 o   91.050   12.963   22.743   6.3779   0.0000   0.0000   22.743   6.3779  ?   ?    91.050   12.963      ?      ? 
1 1 1   16   22   23 o  100.319   11.509   27.535   6.2391   0.0000   0.0000   27.535   6.2391  ?   ?   100.319   11.509      ?      ? 
1 1 1   16   22   24 o  172.086   7.7953   80.495   7.2488   0.0000   0.0000   80.495   7.2488  ?   ?   172.086   7.7953      ?      ? 
1 1 1   16   22   25 o   56.543   17.387   8.9461   5.8289   0.0000   0.0000   8.9461   5.8289  ?   ?    56.543   17.387      ?      ? 
1 1 1   16   22   26 o  231.467   8.0575  145.832   10.078   0.0000   0.0000  145.832   10.078  ?   ?   231.467   8.0575      ?      ? 
1 1 1   16   22   27 o  169.927   7.5882   78.590   6.9677   0.0000   0.0000   78.590   6.9677  ?   ?   169.927   7.5882      ?      ? 
1 1 1   16   22   28 o  173.201   7.5627   81.682   7.0781   0.0000   0.0000   81.682   7.0781  ?   ?   173.201   7.5627      ?      ? 
1 1 1   16   22   29 o  137.764   9.0466   51.877   6.7346   0.0000   0.0000   51.877   6.7346  ?   ?   137.764   9.0466      ?      ? 
1 1 1   16   22   30 o  297.382   12.245  244.369   19.678  244.369   19.678   0.0000   0.0000  297.382   12.245  ?   ?       ?      ? 
1 1 1   16   22   31 o  202.619   8.2948  121.199   8.0610   95.270   14.409  133.011   9.7253  184.585   14.446  220.653   8.1565 -36.06830 16.58960 
1 1 1   16   22   32 o   67.839   14.560   12.678   6.4530   21.437   9.1374   3.9636   9.1146   84.398   20.287   51.280   20.892 33.11793 29.12054 
1 1 1   16   22   33 o  142.024   9.3781   57.364   7.0421   45.813   10.217   67.818   9.7200  127.574   14.820  156.475   11.496 -28.90045 18.75620 
1 1 1   16   22   34 o  243.826   8.9920  163.345   11.847   0.0000   0.0000  163.345   11.847  ?   ?   243.826   8.9920      ?      ? 
1 1 1   16   22   35 o  161.911   8.2968   73.224   7.1966   71.093   10.813   74.918   9.6425  159.444   12.550  164.379   10.856 -4.934937 16.59359 
1 1 1   16   22   36 o   63.704   15.017   11.911   6.1358   9.3009   9.2545   13.958   8.1961   59.466   21.890   67.942   20.563 -8.475483 30.03347 
1 1 1   16   22   37 o   96.458   12.610   26.399   6.3198   37.798   9.9836   18.777   8.1638  114.602   16.122   78.315   19.393 36.28712 25.21906 
1 1 1   16   22   38 o   92.480   12.962   28.144   6.1394   15.855   9.6588   36.475   7.9526   71.308   22.457  113.651   12.949 -42.34311 25.92311 
1 1 1   16   22   39 o  237.400   8.6635  155.589   11.114   0.0000   0.0000  155.589   11.114  ?   ?   237.400   8.6635      ?      ? 
1 1 1   16   22   40 o   86.089   13.373   23.528   6.1583   16.760   9.4110   28.596   8.1440   72.653   22.045   99.526   15.143 -26.87277 26.74500 
1 1 1   16   22   41 o  120.991   12.657   41.503   8.2748   0.0000   0.0000   41.503   8.2748  ?   ?   120.991   12.657      ?      ? 
1 1 1   16   22   42 o  104.419   10.854   31.609   6.0623   33.719   9.3639   30.087   7.9542  106.941   16.204  101.896   14.446 5.045380 21.70865 
1 1 1   16   22   43 o  155.033   8.1524   67.877   6.7187   69.059   10.510   67.060   8.7372  155.546   12.504  154.520   10.464 1.025345 16.30487 
1 1 1   16   22   44 o  118.249   10.896   44.205   6.2895   31.209   9.6562   53.782   8.2890   99.117   18.715  137.380   11.166 -38.26344 21.79282 
1 1 1   16   22   45 o   72.001   14.719   17.218   6.0003   16.647   9.5137   17.596   7.7320   70.267   22.305   73.735   19.212 -3.468163 29.43863 
1 1 1   16   22   46 o  118.787   10.023   41.201   6.2960   41.418   9.9545   41.056   8.1282  118.100   15.599  119.474   12.590 -1.373856 20.04570 
1 1 1   16   22   47 o   42.011   12.877  -2.1197   5.6909   8.1389   8.9849  -8.9927   7.3543   53.360   21.079   30.663   14.795 22.69679 25.75314 
1 1 1   16   22   48 o   79.893   14.238   22.373   6.0898   23.111   9.4147   21.842   7.9854   79.761   21.400   80.024   18.788 -0.2628021 28.47676 
1 1 1   16   22   49 o   49.245   14.268   6.0986   5.9934   6.8457   9.2433   5.5567   7.8726   50.959   20.931   47.530   19.396 3.428467 28.53624 
1 1 1   16   22   50 f  103.717   11.433   34.361   6.3439   37.357   9.8035   32.203   8.3209  106.664   17.009  100.770   15.281 5.894379 22.86503 
1 1 1   16   23    0 o   98.197   20.252   27.498   10.389   27.498   10.389   0.0000   0.0000   98.197   20.252  ?   ?       ?      ? 
1 1 1   16   23    2 o  181.172   8.5069   89.274   8.3260   92.133   11.903   86.535   11.650  184.017   11.971  178.327   12.090 5.690674 17.01372 
1 1 1   16   23    3 o  126.279   11.573   44.923   7.4104   59.294   10.611   31.239   10.354  147.492   13.313  105.065   18.933 42.42646 23.14570 
1 1 1   16   23    4 f  228.170   10.799  141.495   13.314  141.495   13.314   0.0000   0.0000  228.170   10.799  ?   ?       ?      ? 
1 1 1   16   23    6 o  219.261   7.3800  130.698   8.7402  132.334   12.232  128.991   12.493  220.686   10.257  217.837   10.613 2.848785 14.75991 
1 1 1   16   23    7 o  201.260   7.5789  110.344   7.8116  109.527   13.353  110.769   9.6318  200.485   12.326  202.036   8.8225 -1.551575 15.15778 
1 1 1   16   23    8 o  325.236   6.9288  286.918   11.279  288.739   20.225  286.097   13.588  325.639   11.494  324.833   7.7410 0.8055420 13.85767 
1 1 1   16   23    9 o  299.539   8.1140  243.401   13.133   0.0000   0.0000  243.401   13.133  ?   ?   299.539   8.1140      ?      ? 
1 1 1   16   23   10 f   94.998   14.231   24.696   7.3053   0.0000   0.0000   24.696   7.3053  ?   ?    94.998   14.231      ?      ? 
1 1 1   16   23   11 o  273.646   8.4436  203.244   12.485   0.0000   0.0000  203.244   12.485  ?   ?   273.646   8.4436      ?      ? 
1 1 1   16   23   12 o  225.589   7.3550  137.973   8.9658   0.0000   0.0000  137.973   8.9658  ?   ?   225.589   7.3550      ?      ? 
1 1 1   16   23   13 o  204.174   7.8116  113.078   8.6184   0.0000   0.0000  113.078   8.6184  ?   ?   204.174   7.8116      ?      ? 
1 1 1   16   23   14 o  315.471   6.7511  269.721   11.509   0.0000   0.0000  269.721   11.509  ?   ?   315.471   6.7511      ?      ? 
1 1 1   16   23   15 o  307.035   6.7037  255.527   11.122   0.0000   0.0000  255.527   11.122  ?   ?   307.035   6.7037      ?      ? 
1 1 1   16   23   16 o  267.266   6.7368  193.671   9.7293   0.0000   0.0000  193.671   9.7293  ?   ?   267.266   6.7368      ?      ? 
1 1 1   16   23   17 o  275.428   11.849  207.357   17.636   0.0000   0.0000  207.357   17.636  ?   ?   275.428   11.849      ?      ? 
1 1 1   16   23   18 o  279.374   7.6220  211.967   11.506   0.0000   0.0000  211.967   11.506  ?   ?   279.374   7.6220      ?      ? 
1 1 1   16   23   19 o  295.914   6.6078  237.552   10.566   0.0000   0.0000  237.552   10.566  ?   ?   295.914   6.6078      ?      ? 
1 1 1   16   23   20 o  131.455   13.755   47.542   9.7705   0.0000   0.0000   47.542   9.7705  ?   ?   131.455   13.755      ?      ? 
1 1 1   16   23   21 o  168.104   8.4386   76.896   7.6654   0.0000   0.0000   76.896   7.6654  ?   ?   168.104   8.4386      ?      ? 
1 1 1   16   23   22 o  115.479   14.961   36.879   9.3359   0.0000   0.0000   36.879   9.3359  ?   ?   115.479   14.961      ?      ? 
1 1 1   16   23   23 o  163.012   11.262   72.831   9.9200   0.0000   0.0000   72.831   9.9200  ?   ?   163.012   11.262      ?      ? 
1 1 1   16   23   24 o  233.116   12.419  149.676   15.644   0.0000   0.0000  149.676   15.644  ?   ?   233.116   12.419      ?      ? 
1 1 1   16   23   25 o   90.398   13.338   22.608   6.5156   0.0000   0.0000   22.608   6.5156  ?   ?    90.398   13.338      ?      ? 
1 1 1   16   23   26 o   48.326   17.693   5.4896   6.0345   0.0000   0.0000   5.4896   6.0345  ?   ?    48.326   17.693      ?      ? 
1 1 1   16   23   27 o  158.072   8.4310   68.216   7.2015   0.0000   0.0000   68.216   7.2015  ?   ?   158.072   8.4310      ?      ? 
1 1 1   16   23   28 o  253.025   6.9017  174.279   9.4364   0.0000   0.0000  174.279   9.4364  ?   ?   253.025   6.9017      ?      ? 
1 1 1   16   23   29 o   30.756   14.226  -4.2314   5.5739   0.0000   0.0000  -4.2314   5.5739  ?   ?    30.756   14.226      ?      ? 
1 1 1   16   23   30 o   29.874   14.144  -6.7063   6.0728   0.0000   0.0000  -6.7063   6.0728  ?   ?    29.874   14.144      ?      ? 
1 1 1   16   23   31 o  115.096   10.874   32.665   6.1473   49.977   12.220   26.799   7.1129  132.304   17.093   97.889   13.447 34.41476 21.74801 
1 1 1   16   23   32 o  177.058   8.9741   84.620   8.3977  102.410   13.742   74.017   10.609  191.108   13.307  163.008   12.044 28.09984 17.94828 
1 1 1   16   23   33 o   45.391   13.690  -2.3645   6.5024 -11.2345   9.0903   6.9296   9.3050   35.112   16.813   55.669   21.609 -20.55690 27.37939 
1 1 1   16   23   34 o  123.104   10.289   42.718   6.8250   47.065   10.070   39.025   9.2823  128.901   14.457  117.306   14.644 11.59548 20.57755 
1 1 1   16   23   35 o  152.954   8.8723   66.358   7.2318   60.790   10.866   70.786   9.6895  146.566   13.720  159.342   11.253 -12.77565 17.74461 
1 1 1   16   23   36 o  152.363   8.8089   64.963   7.2315   71.183   10.710   59.752   9.8034  159.024   12.464  145.703   12.451 13.32077 17.61785 
1 1 1   16   23   37 o  109.131   11.172   34.231   6.5480   39.892   9.6895   29.473   8.8835  117.626   15.244  100.636   16.336 16.98959 22.34385 
1 1 1   16   23   38 o  164.263   10.962   75.521   9.7297   0.0000   0.0000   75.521   9.7297  ?   ?   164.263   10.962      ?      ? 
1 1 1   16   23   39 o  106.701   12.023   34.450   6.5862   29.475   9.9326   38.353   8.7987   97.685   19.500  115.716   14.071 -18.03087 24.04677 
1 1 1   16   23   40 o  100.191   12.914   33.761   6.5194   16.067   9.7566   48.034   8.7629   70.472   22.611  129.911   12.483 -59.43935 25.82806 
1 1 1   16   23   41 o   98.000   12.521   29.566   6.3358   26.806   9.7482   31.585   8.3367   91.849   20.191  104.150   14.813 -12.30139 25.04221 
1 1 1   16   23   42 o   76.326   14.647   19.685   6.4417   13.531   9.5945   24.736   8.6922   64.477   22.451   88.175   18.816 -23.69810 29.29351 
1 1 1   16   23   43 o  138.152   9.3101   55.655   6.9019   53.976   10.269   57.039   9.3214  135.593   14.015  140.710   12.259 -5.117355 18.62022 
1 1 1   16   23   44 o  147.412   9.4082   64.803   7.2283   50.915   10.833   75.948   9.7048  131.148   15.286  163.676   10.973 -32.52759 18.81639 
1 1 1   16   23   45 o   74.483   14.119   19.080   6.4295   8.7579   9.6599   27.289   8.6149   55.934   21.933   93.032   17.785 -37.09806 28.23744 
1 1 1   16   23   46 o   69.295   15.052   17.581   6.1501   19.158   9.2411   16.327   8.2398   71.546   21.874   67.043   20.682 4.502716 30.10365 
1 1 1   16   23   47 o  114.324   10.773   40.097   6.5807   39.445   9.9831   40.598   8.7510  112.395   16.437  116.254   13.930 -3.858612 21.54626 
1 1 1   16   23   48 o   79.670   14.032   23.480   6.2417   16.421   9.4473   28.948   8.3149   65.576   22.300   93.764   17.038 -28.18820 28.06447 
1 1 1   16   24    0 o   98.353   14.219   27.646   7.2974   30.105   10.611   25.441   10.052  102.634   19.851   94.071   20.364 8.563232 28.43878 
1 1 1   16   24    1 o  286.641   9.9060  223.388   15.343   0.0000   0.0000  223.388   15.343  ?   ?   286.641   9.9060      ?      ? 
1 1 1   16   24    2 o  160.344   9.1627   70.295   7.9293   73.021   11.102   67.456   11.329  163.573   12.560  157.116   13.344 6.456970 18.32539 
1 1 1   16   24    3 o  194.153   8.1732  102.723   8.5735  102.346   12.218  103.090   12.034  193.786   11.667  194.520   11.449 -0.7337646 16.34631 
1 1 1   16   24    4 o   92.875   14.247   25.046   7.1594   33.638   9.9569   15.847   10.302  110.601   16.660   75.150   23.116 35.45139 28.49381 
1 1 1   16   24    6 o  157.030   8.3640   67.716   6.8315   65.383   11.203   69.098   8.6197  154.659   13.405  159.400   10.007 -4.741531 16.72806 
1 1 1   16   24    7 o  178.491   7.6721   87.228   7.1833   84.707   11.557   88.815   9.1695  176.204   12.138  180.779   9.3866 -4.574570 15.34421 
1 1 1   16   24    8 o  285.664   8.6890  221.618   13.413   0.0000   0.0000  221.618   13.413  ?   ?   285.664   8.6890      ?      ? 
1 1 1   16   24    9 o  194.406   7.9373  102.570   8.3382   0.0000   0.0000  102.570   8.3382  ?   ?   194.406   7.9373      ?      ? 
1 1 1   16   24   10 o  245.222   7.0723  163.077   9.3715   0.0000   0.0000  163.077   9.3715  ?   ?   245.222   7.0723      ?      ? 
1 1 1   16   24   11 o  415.731   7.0513  468.783   15.841   0.0000   0.0000  468.783   15.841  ?   ?   415.731   7.0513      ?      ? 
1 1 1   16   24   12 o  397.371   7.0145  428.368   15.062   0.0000   0.0000  428.368   15.062  ?   ?   397.371   7.0145      ?      ? 
1 1 1   16   24   13 o  311.328   6.8639  262.952   11.547   0.0000   0.0000  262.952   11.547  ?   ?   311.328   6.8639      ?      ? 
1 1 1   16   24   14 o   45.814   18.171   3.3095   6.7011   0.0000   0.0000   3.3095   6.7011  ?   ?    45.814   18.171      ?      ? 
1 1 1   16   24   15 f  235.868   7.1698  151.041   9.1383   0.0000   0.0000  151.041   9.1383  ?   ?   235.868   7.1698      ?      ? 
1 1 1   16   24   16 o  125.527   10.477   43.025   7.1064   0.0000   0.0000   43.025   7.1064  ?   ?   125.527   10.477      ?      ? 
1 1 1   16   24   17 o  131.375   10.179   47.114   7.2261   0.0000   0.0000   47.114   7.2261  ?   ?   131.375   10.179      ?      ? 
1 1 1   16   24   18 o  218.241   9.7582  129.956   11.508   0.0000   0.0000  129.956   11.508  ?   ?   218.241   9.7582      ?      ? 
1 1 1   16   24   19 o  216.846   7.4359  127.816   8.7131   0.0000   0.0000  127.816   8.7131  ?   ?   216.846   7.4359      ?      ? 
1 1 1   16   24   20 o  182.887   8.0713   91.069   7.9766   0.0000   0.0000   91.069   7.9766  ?   ?   182.887   8.0713      ?      ? 
1 1 1   16   24   21 o   43.085   17.356   2.6215   6.2113   0.0000   0.0000   2.6215   6.2113  ?   ?    43.085   17.356      ?      ? 
1 1 1   16   24   22 o   80.932   15.155   18.788   6.3843   0.0000   0.0000   18.788   6.3843  ?   ?    80.932   15.155      ?      ? 
1 1 1   16   24   23 o  166.973   8.2892   76.055   7.4790   0.0000   0.0000   76.055   7.4790  ?   ?   166.973   8.2892      ?      ? 
1 1 1   16   24   24 o   61.456   23.625   8.3176   11.039   0.0000   0.0000   8.3176   11.039  ?   ?    61.456   23.625      ?      ? 
1 1 1   16   24   25 o  157.932   8.3546   68.125   7.1299   0.0000   0.0000   68.125   7.1299  ?   ?   157.932   8.3546      ?      ? 
1 1 1   16   24   26 o  196.850   7.2461  105.635   7.7077   0.0000   0.0000  105.635   7.7077  ?   ?   196.850   7.2461      ?      ? 
1 1 1   16   24   27 o  105.116   11.128   30.532   6.3207   0.0000   0.0000   30.532   6.3207  ?   ?   105.116   11.128      ?      ? 
1 1 1   16   24   28 o   39.832   16.760   1.0651   6.1343   0.0000   0.0000   1.0651   6.1343  ?   ?    39.832   16.760      ?      ? 
1 1 1   16   24   29 o  181.206   7.7497   89.802   7.5884   0.0000   0.0000   89.802   7.5884  ?   ?   181.206   7.7497      ?      ? 
1 1 1   16   24   30 o   45.537   17.696   4.2103   6.2451   0.0000   0.0000   4.2103   6.2451  ?   ?    45.537   17.696      ?      ? 
1 1 1   16   24   31 o  173.100   8.5794   82.930   6.6682   84.887   14.143   82.370   7.5613  172.859   15.141  173.341   8.0725 -0.4821472 17.15887 
1 1 1   16   24   32 o   99.589   12.927   25.036   6.3380   42.748   12.163   18.433   7.4259  120.904   18.617   78.275   17.940 42.62865 25.85435 
1 1 1   16   24   33 o  191.870   8.7326  102.043   8.8225  109.212   14.360   97.696   11.182  196.494   13.524  187.246   11.051 9.248093 17.46526 
1 1 1   16   24   34 o  110.637   12.438   36.716   7.1054   29.319   10.167   43.779   9.9347   97.653   19.941  123.621   14.872 -25.96769 24.87598 
1 1 1   16   24   35 o   62.725   15.600   11.602   6.6041   9.7466   9.7668   13.165   8.9639   59.883   22.401   65.568   21.717 -5.685013 31.19978 
1 1 1   16   24   36 o   58.851   14.892   8.1987   6.4810   16.385   9.5895   1.3155   8.7932   71.864   22.335   45.838   19.702 26.02610 29.78311 
1 1 1   16   24   37 o  113.136   11.658   37.456   6.8749   46.066   10.180   30.238   9.3215  126.370   14.908   99.902   17.926 26.46878 23.31513 
1 1 1   16   24   38 o   46.934   13.634  -3.7896   6.4497   12.270   9.9947 -15.2499   8.4430   63.554   22.842   30.313   14.891 33.24150 27.26757 
1 1 1   16   24   39 o   99.278   13.147   29.938   6.8898   34.399   10.294   26.317   9.2731  107.007   17.803   91.549   19.350 15.45772 26.29411 
1 1 1   16   24   40 o   56.448   14.903   8.2637   6.4634   14.329   9.2504   2.4776   9.0346   66.124   22.069   46.771   20.034 19.35279 29.80554 
1 1 1   16   24   41 o   37.719   12.500  -6.0095   6.4025  -7.4764   9.5512  -4.8123   8.6281   37.688   17.812   37.749   17.543 -0.6053925E-01 25.00042 
1 1 1   16   24   42 o  108.345   12.323   36.470   6.8934   29.738   9.9492   42.684   9.5598   96.250   19.790  120.440   14.689 -24.18961 24.64595 
1 1 1   16   24   43 o  256.515   9.3727  184.460   12.992   0.0000   0.0000  184.460   12.992  ?   ?   256.515   9.3727      ?      ? 
1 1 1   16   24   44 o  111.010   12.134   40.381   6.8590   31.636   9.9959   48.162   9.4291   95.922   19.936  126.099   13.838 -30.17604 24.26757 
1 1 1   16   24   45 o  139.860   9.4078   58.412   7.0488   58.691   10.666   58.196   9.3918  139.251   14.175  140.469   12.373 -1.217651 18.81560 
1 1 1   16   24   46 o  162.557   11.078   76.974   9.7310   0.0000   0.0000   76.974   9.7310  ?   ?   162.557   11.078      ?      ? 
1 1 1   16   24   47 o   65.595   15.176   16.713   6.3842   13.051   9.7187   19.492   8.4674   58.716   22.263   72.475   20.631 -13.75862 30.35246 
1 1 1   16   25    0 o  310.045   7.1521  261.662   11.964  241.995   16.693  282.433   17.155  298.010   10.366  322.079   9.8569 -24.06851 14.30417 
1 1 1   16   25    1 o  337.828   7.0107  310.989   12.789  302.516   18.255  319.157   17.923  333.246   10.137  342.410   9.6865 -9.164856 14.02130 
1 1 1   16   25    2 o  125.032   11.808   44.006   7.4524   60.562   10.910   29.526   10.204  148.607   13.587  101.457   19.317 47.14918 23.61679 
1 1 1   16   25    3 o  164.121   9.1551   74.146   8.0747   81.453   11.286   66.483   11.558  172.588   12.102  155.654   13.741 16.93327 18.31014 
1 1 1   16   25    4 o  149.712   9.7784   61.415   7.8843   68.705   11.411   54.757   10.906  158.278   13.342  141.146   14.299 17.13191 19.55690 
1 1 1   16   25    5 o  158.426   13.058   68.812   11.178   0.0000   0.0000   68.812   11.178  ?   ?   158.426   13.058      ?      ? 
1 1 1   16   25    6 o  116.701   10.873   35.076   6.6136   48.243   11.311   28.235   8.1526  132.166   15.837  101.236   14.903 30.92989 21.74666 
1 1 1   16   25    7 o  360.096   7.4365  350.979   13.812  363.513   23.492  344.356   17.076  364.457   11.929  355.734   8.8831 8.722382 14.87294 
1 1 1   16   25    8 f  246.539   7.2293  165.016   9.6309   0.0000   0.0000  165.016   9.6309  ?   ?   246.539   7.2293      ?      ? 
1 1 1   16   25    9 o  230.663   7.5972  144.536   9.4693   0.0000   0.0000  144.536   9.4693  ?   ?   230.663   7.5972      ?      ? 
1 1 1   16   25   10 o  173.089   8.7002   81.534   8.1374   0.0000   0.0000   81.534   8.1374  ?   ?   173.089   8.7002      ?      ? 
1 1 1   16   25   11 o  102.763   13.408   29.034   7.4451   0.0000   0.0000   29.034   7.4451  ?   ?   102.763   13.408      ?      ? 
1 1 1   16   25   12 o  272.158   8.8711  201.704   13.046   0.0000   0.0000  201.704   13.046  ?   ?   272.158   8.8711      ?      ? 
1 1 1   16   25   13 o  137.879   10.345   51.930   7.7073   0.0000   0.0000   51.930   7.7073  ?   ?   137.879   10.345      ?      ? 
1 1 1   16   25   14 o   79.561   16.464   18.204   6.8450   0.0000   0.0000   18.204   6.8450  ?   ?    79.561   16.464      ?      ? 
1 1 1   16   25   15 o  201.150   8.4305  110.198   9.1635   0.0000   0.0000  110.198   9.1635  ?   ?   201.150   8.4305      ?      ? 
1 1 1   16   25   16 f   79.125   16.920   18.119   7.0152   0.0000   0.0000   18.119   7.0152  ?   ?    79.125   16.920      ?      ? 
1 1 1   16   25   17 o  211.133   7.6129  121.342   8.6855   0.0000   0.0000  121.342   8.6855  ?   ?   211.133   7.6129      ?      ? 
1 1 1   16   25   18 o  106.387   11.888   31.163   6.8344   0.0000   0.0000   31.163   6.8344  ?   ?   106.387   11.888      ?      ? 
1 1 1   16   25   19 o  120.827   10.922   40.099   7.1310   0.0000   0.0000   40.099   7.1310  ?   ?   120.827   10.922      ?      ? 
1 1 1   16   25   20 o  172.415   8.6087   81.174   8.0204   0.0000   0.0000   81.174   8.0204  ?   ?   172.415   8.6087      ?      ? 
1 1 1   16   25   21 o   44.130   17.867   2.7168   6.6177   0.0000   0.0000   2.7168   6.6177  ?   ?    44.130   17.867      ?      ? 
1 1 1   16   25   22 o   76.400   22.011   17.463   9.5824   0.0000   0.0000   17.463   9.5824  ?   ?    76.400   22.011      ?      ? 
1 1 1   16   25   23 o   96.304   12.725   25.764   6.6223   0.0000   0.0000   25.764   6.6223  ?   ?    96.304   12.725      ?      ? 
1 1 1   16   25   24 o  154.042   8.6113   64.987   7.1680   0.0000   0.0000   64.987   7.1680  ?   ?   154.042   8.6113      ?      ? 
1 1 1   16   25   25 o  222.467   7.0295  134.968   8.4504   0.0000   0.0000  134.968   8.4504  ?   ?   222.467   7.0295      ?      ? 
1 1 1   16   25   26 o   88.257   12.942   21.755   6.1721   0.0000   0.0000   21.755   6.1721  ?   ?    88.257   12.942      ?      ? 
1 1 1   16   25   27 o  222.200   6.9379  134.794   8.3303   0.0000   0.0000  134.794   8.3303  ?   ?   222.200   6.9379      ?      ? 
1 1 1   16   25   28 o  170.432   7.9868   79.597   7.3555   0.0000   0.0000   79.597   7.3555  ?   ?   170.432   7.9868      ?      ? 
1 1 1   16   25   29 o   91.469   12.650   23.440   6.2526   0.0000   0.0000   23.440   6.2526  ?   ?    91.469   12.650      ?      ? 
1 1 1   16   25   30 o   36.713   15.942  -0.2527   5.8758   0.0000   0.0000  -0.2527   5.8758  ?   ?    36.713   15.942      ?      ? 
1 1 1   16   25   31 o   73.461   16.816   16.210   6.5311   0.0000   0.0000   16.210   6.5311  ?   ?    73.461   16.816      ?      ? 
1 1 1   16   25   32 o   83.455   14.435   23.630   6.3016   14.725   12.217   26.858   7.3557   69.842   25.234   97.068   14.024 -27.22574 28.86928 
1 1 1   16   25   33 o  131.629   12.256   58.201   6.8760   37.162   12.705   66.917   8.1771  108.056   22.490  155.202   9.7503 -47.14563 24.51275 
1 1 1   16   25   34 o  170.606   9.5923   80.835   8.6524   93.198   14.084   73.341   10.966  180.211   14.463  161.001   12.604 19.21030 19.18463 
1 1 1   16   25   35 o   93.132   14.331   27.389   7.0285   22.716   10.047   31.869   9.8360   84.086   21.896  102.178   18.496 -18.09177 28.66224 
1 1 1   16   25   36 o  133.903   9.9208   51.494   7.1604   55.618   10.586   48.016   9.7217  138.767   14.118  129.039   13.942 9.728592 19.84164 
1 1 1   16   25   37 o   60.857   15.176   9.6272   6.6424   18.116   9.9744   2.8624   8.9039   74.169   22.734   47.546   20.109 26.62350 30.35131 
1 1 1   16   25   38 o   83.820   14.621   23.459   6.7825   16.301   9.7461   30.181   9.4449   69.720   22.623   97.920   18.528 -28.20067 29.24215 
1 1 1   16   25   39 o   98.269   13.369   30.834   6.8369   31.241   9.8740   30.459   9.4761   98.664   19.211   97.875   18.597 0.7890244 26.73813 
1 1 1   16   25   40 o   45.098   14.035   0.1154   6.7816  -4.4843   10.256   3.6885   9.0396   41.891   19.348   48.305   20.336 -6.414436 28.07009 
1 1 1   16   25   41 o   49.767   14.766   4.3021   6.7067   5.0342   9.5571   3.5918   9.4140   50.831   21.119   48.704   20.642 2.126511 29.53128 
1 1 1   16   25   42 o   62.674   15.758   14.105   6.7615   12.221   9.8199   15.803   9.3236   59.421   22.415   65.927   22.155 -6.505959 31.51624 
1 1 1   16   25   43 o   64.325   15.215   14.928   6.5159   9.8175   9.5064   19.456   8.9485   55.245   21.727   73.406   21.306 -18.16120 30.43054 
1 1 1   16   25   44 o   73.161   15.470   19.339   6.5626   20.477   9.8106   18.418   8.8286   74.582   22.481   71.740   21.259 2.841873 30.94082 
1 1 1   16   25   45 o   46.113   14.096   4.3686   6.4098   4.9949   9.5443   3.8541   8.6512   47.338   20.437   44.887   19.418 2.450256 28.19116 
1 1 1   16   26    0 o  147.607   9.8556   60.517   7.7891   67.048   10.758   53.320   11.292  156.280   12.739  138.934   15.041 17.34604 19.71113 
1 1 1   16   26    1 o   44.695   13.965  -3.8796   6.8538  -9.4941   9.6057   1.9430   9.7821   38.551   18.108   50.838   21.264 -12.28650 27.92992 
1 1 1   16   26    2 o  174.003   8.6202   83.340   7.9977   66.924   11.140  100.799   11.489  156.028   13.213  191.978   11.075 -35.95016 17.24048 
1 1 1   16   26    3 f  122.189   11.032   41.376   7.2439   46.980   10.366   36.026   10.127  130.450   14.705  113.928   16.451 16.52180 22.06483 
1 1 1   16   26    4 o  290.836   9.7845  230.766   15.377   0.0000   0.0000  230.766   15.377  ?   ?   290.836   9.7845      ?      ? 
1 1 1   16   26    5 o   60.005   13.674   9.3261   6.0390  -4.7793   10.451   16.397   7.3993   44.851   20.257   75.159   18.373 -30.30710 27.34825 
1 1 1   16   26    6 o  226.752   7.0231  140.314   8.1985  140.495   13.886  140.216   10.158  226.511   11.345  226.993   8.2812 -0.4826660 14.04614 
1 1 1   16   26    7 o  156.668   9.8715   67.010   8.3570   0.0000   0.0000   67.010   8.3570  ?   ?   156.668   9.8715      ?      ? 
1 1 1   16   26    8 o  110.366   12.433   33.473   7.4151   0.0000   0.0000   33.473   7.4151  ?   ?   110.366   12.433      ?      ? 
1 1 1   16   26    9 o   74.864   17.327   16.255   6.8707   0.0000   0.0000   16.255   6.8707  ?   ?    74.864   17.327      ?      ? 
1 1 1   16   26   10 o  129.504   10.662   45.934   7.4612   0.0000   0.0000   45.934   7.4612  ?   ?   129.504   10.662      ?      ? 
1 1 1   16   26   11 o  290.027   12.577  231.804   19.711   0.0000   0.0000  231.804   19.711  ?   ?   290.027   12.577      ?      ? 
1 1 1   16   26   12 o  149.189   9.8409   60.900   7.9334   0.0000   0.0000   60.900   7.9334  ?   ?   149.189   9.8409      ?      ? 
1 1 1   16   26   13 o   84.153   15.984   20.386   7.0025   0.0000   0.0000   20.386   7.0025  ?   ?    84.153   15.984      ?      ? 
1 1 1   16   26   14 o  262.656   7.7470  187.941   10.995   0.0000   0.0000  187.941   10.995  ?   ?   262.656   7.7470      ?      ? 
1 1 1   16   26   15 o   80.873   16.433   18.948   6.9366   0.0000   0.0000   18.948   6.9366  ?   ?    80.873   16.433      ?      ? 
1 1 1   16   26   16 o   80.605   16.569   18.860   6.9755   0.0000   0.0000   18.860   6.9755  ?   ?    80.605   16.569      ?      ? 
1 1 1   16   26   17 o   77.557   16.817   17.544   6.8450   0.0000   0.0000   17.544   6.8450  ?   ?    77.557   16.817      ?      ? 
1 1 1   16   26   18 o   97.221   13.302   26.262   6.9883   0.0000   0.0000   26.262   6.9883  ?   ?    97.221   13.302      ?      ? 
1 1 1   16   26   19 o   52.231   18.565   6.9894   6.5845   0.0000   0.0000   6.9894   6.5845  ?   ?    52.231   18.565      ?      ? 
1 1 1   16   26   20 o  174.959   11.303   84.626   10.686   0.0000   0.0000   84.626   10.686  ?   ?   174.959   11.303      ?      ? 
1 1 1   16   26   21 o  116.245   11.165   37.358   7.0135   0.0000   0.0000   37.358   7.0135  ?   ?   116.245   11.165      ?      ? 
1 1 1   16   26   22 o   83.697   15.758   20.394   6.8652   0.0000   0.0000   20.394   6.8652  ?   ?    83.697   15.758      ?      ? 
1 1 1   16   26   23 o   51.953   18.566   6.9952   6.5942   0.0000   0.0000   6.9952   6.5942  ?   ?    51.953   18.566      ?      ? 
1 1 1   16   26   24 o  194.199   14.100  106.339   14.796   0.0000   0.0000  106.339   14.796  ?   ?   194.199   14.100      ?      ? 
1 1 1   16   26   25 o  124.620   10.115   42.918   6.8116   0.0000   0.0000   42.918   6.8116  ?   ?   124.620   10.115      ?      ? 
1 1 1   16   26   26 o   78.068   15.323   17.872   6.2332   0.0000   0.0000   17.872   6.2332  ?   ?    78.068   15.323      ?      ? 
1 1 1   16   26   27 o   75.159   16.400   16.817   6.4735   0.0000   0.0000   16.817   6.4735  ?   ?    75.159   16.400      ?      ? 
1 1 1   16   26   28 o  160.408   8.6865   70.892   7.5294   0.0000   0.0000   70.892   7.5294  ?   ?   160.408   8.6865      ?      ? 
1 1 1   16   26   29 o  116.523   10.554   37.809   6.6456   0.0000   0.0000   37.809   6.6456  ?   ?   116.523   10.554      ?      ? 
1 1 1   16   26   30 o  141.114   13.444   56.641   10.252   0.0000   0.0000   56.641   10.252  ?   ?   141.114   13.444      ?      ? 
1 1 1   16   26   31 o   95.479   12.443   25.771   6.4196   0.0000   0.0000   25.771   6.4196  ?   ?    95.479   12.443      ?      ? 
1 1 1   16   26   32 f   56.175   18.325   9.3169   6.3916   0.0000   0.0000   9.3169   6.3916  ?   ?    56.175   18.325      ?      ? 
1 1 1   16   26   33 o  203.934   8.2293  111.965   8.1123  129.910   15.877  105.625   9.4373  212.702   13.813  195.167   8.9485 17.53461 16.45862 
1 1 1   16   26   34 o   91.822   14.431   25.081   5.9313   29.302   13.162   24.005   6.6443   92.246   25.535   91.398   13.453 0.8482590 28.86244 
1 1 1   16   26   35 o   66.720   14.717   12.174   7.7178  -7.0315   11.892   26.151   10.145   43.620   20.380   89.820   21.236 -46.19912 29.43303 
1 1 1   16   26   36 o   47.126   14.451   1.8417   6.8737   4.4218   9.6368  -0.8306   9.8073   50.017   21.024   44.236   19.831 5.781097 28.90129 
1 1 1   16   26   37 o   69.645   15.981   15.791   7.2407   23.425   10.597   9.1053   9.9169   82.395   22.950   56.896   22.247 25.49905 31.96234 
1 1 1   16   26   38 o  122.888   11.980   45.064   7.8474   56.048   11.714   36.121   10.570  137.162   15.805  108.614   18.009 28.54810 23.96067 
1 1 1   16   26   39 o   54.198   22.017   7.0519   10.087   0.0000   0.0000   7.0519   10.087  ?   ?    54.198   22.017      ?      ? 
1 1 1   16   26   40 o   54.711   15.089   8.0871   7.0811  -0.4319   10.213   15.974   9.8267   43.689   19.849   65.734   22.731 -22.04449 30.17745 
1 1 1   16   26   41 o  118.265   12.733   46.416   7.4011   28.269   10.334   65.530   10.605   88.701   21.730  147.828   13.276 -59.12666 25.46503 
1 1 1   16   26   42 o   74.365   14.707   19.829   6.9123   9.0166   9.9593   29.879   9.6014   54.675   21.994   94.056   19.530 -39.38087 29.41376 
1 1 1   16   26   43 o   40.552   13.234  -2.4643   6.7852   2.5223   10.097  -6.5700   9.1622   45.304   20.229   35.800   17.070 9.503757 26.46889 
1 1 1   16   27    0 o  109.490   21.082   25.368   10.707   64.640   25.798   17.196   11.768  141.948   34.067   77.031   24.845 64.91702 42.16476 
1 1 1   16   27    1 o  123.459   12.503   44.405   7.6740   62.136   11.040   27.830   10.674  149.840   13.635   97.078   20.962 52.76200 25.00651 
1 1 1   16   27    2 o   50.925   14.962   1.8416   6.8556  -1.5021   9.2413   5.9336   10.223   44.988   19.754   56.862   22.478 -11.87436 29.92500 
1 1 1   16   27    3 o  123.947   11.798   44.823   7.4131   54.823   10.155   33.413   10.847  140.787   13.348  107.106   19.458 33.68100 23.59637 
1 1 1   16   27    4 f  115.223   10.596   38.205   6.2679   32.252   10.115   41.915   7.9858  107.078   17.482  123.368   11.979 -16.28989 21.19247 
1 1 1   16   27    5 o   63.568   15.211   9.8031   6.0541   15.923   10.340   6.6106   7.4680   73.961   23.226   53.175   19.648 20.78603 30.42208 
1 1 1   16   27    6 o  100.391   11.723   29.368   6.0441   23.446   8.9339   34.367   8.2074   89.414   19.072  111.368   13.638 -21.95379 23.44685 
1 1 1   16   27    7 o  105.513   12.499   30.733   7.1261   0.0000   0.0000   30.733   7.1261  ?   ?   105.513   12.499      ?      ? 
1 1 1   16   27    8 o  211.293   7.6471  121.618   8.7311   0.0000   0.0000  121.618   8.7311  ?   ?   211.293   7.6471      ?      ? 
1 1 1   16   27    9 o   39.731   17.339  -0.8924   7.0227   0.0000   0.0000  -0.8924   7.0227  ?   ?    39.731   17.339      ?      ? 
1 1 1   16   27   10 o  202.092   8.1922  111.430   8.9462   0.0000   0.0000  111.430   8.9462  ?   ?   202.092   8.1922      ?      ? 
1 1 1   16   27   11 o  214.390   7.9058  125.351   9.1588   0.0000   0.0000  125.351   9.1588  ?   ?   214.390   7.9058      ?      ? 
1 1 1   16   27   12 o   77.829   17.181   17.724   7.0325   0.0000   0.0000   17.724   7.0325  ?   ?    77.829   17.181      ?      ? 
1 1 1   16   27   13 o  135.632   10.322   50.564   7.5648   0.0000   0.0000   50.564   7.5648  ?   ?   135.632   10.322      ?      ? 
1 1 1   16   27   14 o  102.775   13.406   29.418   7.4450   0.0000   0.0000   29.418   7.4450  ?   ?   102.775   13.406      ?      ? 
1 1 1   16   27   15 o  155.394   9.2086   66.236   7.7324   0.0000   0.0000   66.236   7.7324  ?   ?   155.394   9.2086      ?      ? 
1 1 1   16   27   16 o   69.867   18.051   14.491   6.8633   0.0000   0.0000   14.491   6.8633  ?   ?    69.867   18.051      ?      ? 
1 1 1   16   27   17 o   97.144   13.571   26.380   7.1236   0.0000   0.0000   26.380   7.1236  ?   ?    97.144   13.571      ?      ? 
1 1 1   16   27   18 o  190.364   10.910  100.179   11.223   0.0000   0.0000  100.179   11.223  ?   ?   190.364   10.910      ?      ? 
1 1 1   16   27   19 o  109.646   11.864   33.427   7.0296   0.0000   0.0000   33.427   7.0296  ?   ?   109.646   11.864      ?      ? 
1 1 1   16   27   20 o  106.437   11.870   31.549   6.8269   0.0000   0.0000   31.549   6.8269  ?   ?   106.437   11.870      ?      ? 
1 1 1   16   27   21 o  111.836   11.599   34.805   7.0096   0.0000   0.0000   34.805   7.0096  ?   ?   111.836   11.599      ?      ? 
1 1 1   16   27   22 o  124.875   10.664   43.217   7.1957   0.0000   0.0000   43.217   7.1957  ?   ?   124.875   10.664      ?      ? 
1 1 1   16   27   23 o   91.300   13.937   23.559   6.8761   0.0000   0.0000   23.559   6.8761  ?   ?    91.300   13.937      ?      ? 
1 1 1   16   27   24 o  146.311   9.1941   59.066   7.2690   0.0000   0.0000   59.066   7.2690  ?   ?   146.311   9.1941      ?      ? 
1 1 1   16   27   25 o  169.758   8.4843   79.340   7.7828   0.0000   0.0000   79.340   7.7828  ?   ?   169.758   8.4843      ?      ? 
1 1 1   16   27   26 o   97.375   12.760   26.773   6.7141   0.0000   0.0000   26.773   6.7141  ?   ?    97.375   12.760      ?      ? 
1 1 1   16   27   27 o   77.488   16.244   18.008   6.5844   0.0000   0.0000   18.008   6.5844  ?   ?    77.488   16.244      ?      ? 
1 1 1   16   27   28 o  220.773   7.6719  134.009   9.1525   0.0000   0.0000  134.009   9.1525  ?   ?   220.773   7.6719      ?      ? 
1 1 1   16   27   29 o   68.054   17.481   14.140   6.4623   0.0000   0.0000   14.140   6.4623  ?   ?    68.054   17.481      ?      ? 
1 1 1   16   27   30 o   65.051   17.922   13.026   6.5013   0.0000   0.0000   13.026   6.5013  ?   ?    65.051   17.922      ?      ? 
1 1 1   16   27   31 o   39.025   16.654   0.9972   6.2029   0.0000   0.0000   0.9972   6.2029  ?   ?    39.025   16.654      ?      ? 
1 1 1   16   27   32 o  120.426   10.563   40.730   6.8740   0.0000   0.0000   40.730   6.8740  ?   ?   120.426   10.563      ?      ? 
1 1 1   16   27   33 o   62.741   15.666   12.403   6.3613   10.732   11.969   13.061   7.5099   61.550   24.325   63.931   19.748 -2.381424 31.33172 
1 1 1   16   27   34 f  134.811   10.728   53.120   7.0067   56.599   13.290   51.781   8.2456  135.017   18.216  134.605   11.336 0.4120331 21.45574 
1 1 1   16   27   35 o   46.289   14.244   2.4037   6.0553  -3.5428   13.029   4.0420   6.8388   47.671   21.943   44.906   18.169 2.765625 28.48838 
1 1 1   16   27   36 o  162.099   11.430   70.384   9.4368  116.487   16.453   47.784   11.520  198.351   15.351  125.847   16.940 72.50425 22.86079 
1 1 1   16   27   37 o   57.981   16.086   9.4804   7.4553   6.2676   10.497   12.750   10.590   53.252   22.130   62.710   23.352 -9.458046 32.17213 
1 1 1   16   27   38 o  129.889   11.636   54.242   7.9285   41.822   11.293   66.315   11.134  112.286   18.613  147.493   13.969 -35.20633 23.27171 
1 1 1   16   27   39 o   51.058   15.163   6.3267   7.0808   6.9249   10.086   5.7454   9.9427   51.887   21.638   50.228   21.247 1.659321 30.32552 
1 1 1   16   27   40 o   70.860   16.153   18.798   7.1725   15.084   10.250   22.361   10.040   63.982   23.115   77.739   22.569 -13.75642 32.30559 
1 1 1   16   27   41 o  174.673   12.232   91.553   11.546   0.0000   0.0000   91.553   11.546  ?   ?   174.673   12.232      ?      ? 
1 1 1   16   28    0 o   80.417   18.922   20.420   9.4756   24.442   10.405   0.8802   22.935   90.230   21.623   70.604   31.059 19.62610 37.84438 
1 1 1   16   28    1 o   98.517   21.065   25.850   16.463 -19.6509   25.656   57.703   21.466   62.260   29.353  134.774   30.221 -72.51353 42.12960 
1 1 1   16   28    2 o   90.735   23.807   22.321   16.809   4.0586   25.455   36.441   22.383   75.778   33.041  105.691   34.283 -29.91385 47.61351 
1 1 1   16   28    3 o  105.172   19.760   32.603   10.818   0.0000   0.0000   32.603   10.818  ?   ?   105.172   19.760      ?      ? 
1 1 1   16   28    4 o  186.906   12.221   96.687   12.343   0.0000   0.0000   96.687   12.343  ?   ?   186.906   12.221      ?      ? 
1 1 1   16   28    5 o  136.095   11.998   51.245   8.8232   0.0000   0.0000   51.245   8.8232  ?   ?   136.095   11.998      ?      ? 
1 1 1   16   28    6 o  107.788   13.567   32.379   7.9024   0.0000   0.0000   32.379   7.9024  ?   ?   107.788   13.567      ?      ? 
1 1 1   16   28    7 o  239.228   8.1832  156.444   10.578   0.0000   0.0000  156.444   10.578  ?   ?   239.228   8.1832      ?      ? 
1 1 1   16   28    8 o   63.096   18.578   11.676   6.7607   0.0000   0.0000   11.676   6.7607  ?   ?    63.096   18.578      ?      ? 
1 1 1   16   28    9 o   83.907   16.188   20.521   7.0740   0.0000   0.0000   20.521   7.0740  ?   ?    83.907   16.188      ?      ? 
1 1 1   16   28   10 o   63.350   18.873   11.788   6.9443   0.0000   0.0000   11.788   6.9443  ?   ?    63.350   18.873      ?      ? 
1 1 1   16   28   11 o  131.167   10.774   47.498   7.6363   0.0000   0.0000   47.498   7.6363  ?   ?   131.167   10.774      ?      ? 
1 1 1   16   28   12 o   38.914   17.075  -1.0098   6.8936   0.0000   0.0000  -1.0098   6.8936  ?   ?    38.914   17.075      ?      ? 
1 1 1   16   28   13 o  141.916   10.044   55.506   7.7023   0.0000   0.0000   55.506   7.7023  ?   ?   141.916   10.044      ?      ? 
1 1 1   16   28   14 o  213.242   8.4503  124.687   9.7372   0.0000   0.0000  124.687   9.7372  ?   ?   213.242   8.4503      ?      ? 
1 1 1   16   28   15 o  122.117   11.240   41.397   7.4171   0.0000   0.0000   41.397   7.4171  ?   ?   122.117   11.240      ?      ? 
1 1 1   16   28   16 f   67.419   18.788   13.664   7.1000   0.0000   0.0000   13.664   7.1000  ?   ?    67.419   18.788      ?      ? 
1 1 1   16   28   17 o   41.511   17.506   1.2677   6.7174   0.0000   0.0000   1.2677   6.7174  ?   ?    41.511   17.506      ?      ? 
1 1 1   16   28   18 o  137.366   10.040   52.157   7.4525   0.0000   0.0000   52.157   7.4525  ?   ?   137.366   10.040      ?      ? 
1 1 1   16   28   19 o  129.257   10.616   46.356   7.4148   0.0000   0.0000   46.356   7.4148  ?   ?   129.257   10.616      ?      ? 
1 1 1   16   28   20 o  105.136   12.339   31.005   7.0098   0.0000   0.0000   31.005   7.0098  ?   ?   105.136   12.339      ?      ? 
1 1 1   16   28   21 o  124.675   10.636   43.241   7.1652   0.0000   0.0000   43.241   7.1652  ?   ?   124.675   10.636      ?      ? 
1 1 1   16   28   22 o  153.132   9.1386   64.798   7.5620   0.0000   0.0000   64.798   7.5620  ?   ?   153.132   9.1386      ?      ? 
1 1 1   16   28   23 f   89.872   14.267   23.087   6.9287   0.0000   0.0000   23.087   6.9287  ?   ?    89.872   14.267      ?      ? 
1 1 1   16   28   24 o   41.695   17.570   1.6284   6.7575   0.0000   0.0000   1.6284   6.7575  ?   ?    41.695   17.570      ?      ? 
1 1 1   16   28   25 o  226.040   8.2203  140.833   10.041   0.0000   0.0000  140.833   10.041  ?   ?   226.040   8.2203      ?      ? 
1 1 1   16   28   26 o  133.548   10.266   49.710   7.4082   0.0000   0.0000   49.710   7.4082  ?   ?   133.548   10.266      ?      ? 
1 1 1   16   28   27 o  211.734   7.5620  123.364   8.6520   0.0000   0.0000  123.364   8.6520  ?   ?   211.734   7.5620      ?      ? 
1 1 1   16   28   28 o  161.769   8.8944   72.649   7.7750   0.0000   0.0000   72.649   7.7750  ?   ?   161.769   8.8944      ?      ? 
1 1 1   16   28   29 o  125.146   10.734   44.035   7.2589   0.0000   0.0000   44.035   7.2589  ?   ?   125.146   10.734      ?      ? 
1 1 1   16   28   30 f  151.037   9.1613   63.628   7.4770   0.0000   0.0000   63.628   7.4770  ?   ?   151.037   9.1613      ?      ? 
1 1 1   16   28   31 o  243.506   8.7155  165.607   11.468   0.0000   0.0000  165.607   11.468  ?   ?   243.506   8.7155      ?      ? 
1 1 1   16   28   32 o   52.950   18.837   8.3105   6.7805   0.0000   0.0000   8.3105   6.7805  ?   ?    52.950   18.837      ?      ? 
1 1 1   16   28   33 o   99.925   13.567   29.020   7.3257   0.0000   0.0000   29.020   7.3257  ?   ?    99.925   13.567      ?      ? 
1 1 1   16   28   34 o   76.484   12.714   21.378   7.2282  -8.8198   12.907   35.176   8.7246   43.760   20.689  109.208   14.784 -65.44777 25.42836 
1 1 1   16   28   35 o   46.330   14.534   0.0756   6.2124   8.8739   12.663  -2.7135   7.1294   57.090   24.054   35.570   16.320 21.52062 29.06779 
1 1 1   16   28   36 o  137.664   10.668   52.334   6.8534   74.189   14.591   46.147   7.7630  150.092   17.991  125.237   11.471 24.85564 21.33674 
1 1 1   16   28   37 o  172.204   8.8830   81.952   7.1043   98.806   14.811   76.915   8.0965  179.561   15.265  164.847   9.0893 14.71365 17.76594 
1 1 1   16   28   38 o   56.242   15.716   10.628   7.0995   12.519   10.083   8.7684   9.9976   59.025   22.605   53.460   21.841 5.565746 31.43299 
1 1 1   16   28   39 o   42.608   13.576  -0.3409   6.8705  -6.9415   9.8539   5.9037   9.5844   36.807   17.592   48.410   20.682 -11.60301 27.15177 
1 1 1   16   29    0 f   46.895   14.333  -0.0110   6.5872  -1.7221   8.6519   2.3488   10.160   42.739   18.925   51.050   21.530 -8.311268 28.66513 
1 1 1   16   29    1 o   84.160   15.186   21.181   6.9617   16.843   9.3132   26.675   10.481   74.565   21.762   93.756   21.186 -19.19066 30.37180 
1 1 1   16   29    2 o  123.697   14.856   43.127   9.9302   43.127   9.9302   0.0000   0.0000  123.697   14.856  ?   ?       ?      ? 
1 1 1   16   29    3 o   70.342   15.190   14.614   6.1508   15.635   10.157   14.022   7.7291   72.207   23.060   68.478   19.779 3.728752 30.38094 
1 1 1   16   29    4 f  116.638   10.802   36.174   6.6003   49.977   11.039   28.494   8.2342  132.883   15.373  100.394   15.178 32.48850 21.60387 
1 1 1   16   29    6 o   72.693   23.117   16.000   10.215   0.0000   0.0000   16.000   10.215  ?   ?    72.693   23.117      ?      ? 
1 1 1   16   29    7 o  126.509   16.089   45.645   10.998   0.0000   0.0000   45.645   10.998  ?   ?   126.509   16.089      ?      ? 
1 1 1   16   29    8 o  105.895   19.755   33.682   10.888   0.0000   0.0000   33.682   10.888  ?   ?   105.895   19.755      ?      ? 
1 1 1   16   29    9 o   97.572   21.353   29.187   10.946   0.0000   0.0000   29.187   10.946  ?   ?    97.572   21.353      ?      ? 
1 1 1   16   29   10 o  224.462   11.650  140.242   14.131   0.0000   0.0000  140.242   14.131  ?   ?   224.462   11.650      ?      ? 
1 1 1   16   29   12 o   36.396   16.596  -3.7181   7.2225   0.0000   0.0000  -3.7181   7.2225  ?   ?    36.396   16.596      ?      ? 
1 1 1   16   29   13 f   86.352   16.065   21.926   7.2204   0.0000   0.0000   21.926   7.2204  ?   ?    86.352   16.065      ?      ? 
1 1 1   16   29   14 o   66.413   18.888   13.337   7.1007   0.0000   0.0000   13.337   7.1007  ?   ?    66.413   18.888      ?      ? 
1 1 1   16   29   15 o   55.100   19.167   8.4307   6.9917   0.0000   0.0000   8.4307   6.9917  ?   ?    55.100   19.167      ?      ? 
1 1 1   16   29   16 o   48.533   18.682   5.2732   6.9099   0.0000   0.0000   5.2732   6.9099  ?   ?    48.533   18.682      ?      ? 
1 1 1   16   29   17 o  112.086   12.052   35.266   7.2996   0.0000   0.0000   35.266   7.2996  ?   ?   112.086   12.052      ?      ? 
1 1 1   16   29   18 o  108.499   12.397   33.163   7.2685   0.0000   0.0000   33.163   7.2685  ?   ?   108.499   12.397      ?      ? 
1 1 1   16   29   19 o   66.929   18.769   13.763   7.0623   0.0000   0.0000   13.763   7.0623  ?   ?    66.929   18.769      ?      ? 
1 1 1   16   29   20 o  101.973   13.304   29.574   7.3311   0.0000   0.0000   29.574   7.3311  ?   ?   101.973   13.304      ?      ? 
1 1 1   16   29   21 o  135.495   10.559   51.255   7.7313   0.0000   0.0000   51.255   7.7313  ?   ?   135.495   10.559      ?      ? 
1 1 1   16   29   22 o  182.869   11.558   93.951   11.421   0.0000   0.0000   93.951   11.421  ?   ?   182.869   11.558      ?      ? 
1 1 1   16   29   23 o   96.502   13.869   26.672   7.2319   0.0000   0.0000   26.672   7.2319  ?   ?    96.502   13.869      ?      ? 
1 1 1   16   29   24 o  126.337   11.344   45.006   7.7441   0.0000   0.0000   45.006   7.7441  ?   ?   126.337   11.344      ?      ? 
1 1 1   16   29   25 o   67.364   18.695   14.232   7.0453   0.0000   0.0000   14.232   7.0453  ?   ?    67.364   18.695      ?      ? 
1 1 1   16   29   26 o  106.405   12.638   32.339   7.2666   0.0000   0.0000   32.339   7.2666  ?   ?   106.405   12.638      ?      ? 
1 1 1   16   29   27 f   27.048   13.298 -12.5048   6.7728   0.0000   0.0000 -12.5048   6.7728  ?   ?    27.048   13.298      ?      ? 
1 1 1   16   29   28 o   95.208   14.013   26.641   7.2092   0.0000   0.0000   26.641   7.2092  ?   ?    95.208   14.013      ?      ? 
1 1 1   16   29   29 o   86.824   16.257   23.199   7.3468   0.0000   0.0000   23.199   7.3468  ?   ?    86.824   16.257      ?      ? 
1 1 1   16   29   30 o   31.444   15.021  -7.8956   7.1634   0.0000   0.0000  -7.8956   7.1634  ?   ?    31.444   15.021      ?      ? 
1 1 1   16   29   31 o   35.365   16.357  -4.1795   7.3681   0.0000   0.0000  -4.1795   7.3681  ?   ?    35.365   16.357      ?      ? 
1 1 1   16   29   32 o   86.689   22.225   26.163   10.460   0.0000   0.0000   26.163   10.460  ?   ?    86.689   22.225      ?      ? 
1 1 1   16   29   33 o  143.278   10.101   59.271   7.8202   0.0000   0.0000   59.271   7.8202  ?   ?   143.278   10.101      ?      ? 
1 1 1   16   29   34 o   56.032   19.128   10.417   6.9507   0.0000   0.0000   10.417   6.9507  ?   ?    56.032   19.128      ?      ? 
1 1 1   16   29   35 o   73.894   15.364   20.813   6.7736   14.809   11.799   23.765   8.2725   63.476   24.419   84.312   18.652 -20.83650 30.72737 
1 1 1   16   29   36 o   56.032   14.108   11.483   6.2303  -1.1764   12.039   16.113   7.2811   44.694   20.755   67.370   19.115 -22.67609 28.21609 
1 1 1   16   30    0 o  162.860   11.941   74.011   10.509   74.011   10.509   0.0000   0.0000  162.860   11.941  ?   ?       ?      ? 
1 1 1   16   30    1 o   79.580   15.871   19.852   7.1531   21.734   9.6538   17.559   10.652   83.872   21.270   75.288   23.563 8.584091 31.74262 
1 1 1   16   30    2 o   67.099   14.181   10.550   6.0034   24.077   9.9807   2.8819   7.5149   88.333   21.183   45.865   18.860 42.46886 28.36232 
1 1 1   16   30    3 o  131.822   9.2788   48.813   6.5177   49.054   10.087   48.641   8.5399  131.673   14.177  131.971   11.975 -0.2987213 18.55763 
1 1 1   16   30    4 o   44.920   13.659  -0.9543   5.9093   5.4324   9.7484  -4.6644   7.4300   53.899   21.733   35.941   16.553 17.95872 27.31884 
1 1 1   16   30    5 o  240.124   9.2195  158.990   11.963   0.0000   0.0000  158.990   11.963  ?   ?   240.124   9.2195      ?      ? 
1 1 1   16   30    6 o  117.966   12.385   39.018   7.8951   0.0000   0.0000   39.018   7.8951  ?   ?   117.966   12.385      ?      ? 
1 1 1   16   30    7 o   55.035   19.889   8.0753   7.5901   0.0000   0.0000   8.0753   7.5901  ?   ?    55.035   19.889      ?      ? 
1 1 1   16   30    8 o  142.869   10.992   56.852   8.4863   0.0000   0.0000   56.852   8.4863  ?   ?   142.869   10.992      ?      ? 
1 1 1   16   30    9 o  161.612   10.017   72.413   8.7477   0.0000   0.0000   72.413   8.7477  ?   ?   161.612   10.017      ?      ? 
1 1 1   16   30   10 o  118.144   12.842   39.362   8.1984   0.0000   0.0000   39.362   8.1984  ?   ?   118.144   12.842      ?      ? 
1 1 1   16   30   11 o   35.773   17.288 -13.9092   10.142   0.0000   0.0000 -13.9092   10.142  ?   ?    35.773   17.288      ?      ? 
1 1 1   16   30   12 o   62.549   23.933   10.349   11.296   0.0000   0.0000   10.349   11.296  ?   ?    62.549   23.933      ?      ? 
1 1 1   16   30   13 o   68.730   24.838   14.209   11.837   0.0000   0.0000   14.209   11.837  ?   ?    68.730   24.838      ?      ? 
1 1 1   16   30   14 o  100.477   23.191   32.509   12.336   0.0000   0.0000   32.509   12.336  ?   ?   100.477   23.191      ?      ? 
1 1 1   16   30   15 o   70.995   25.265   15.719   12.199   0.0000   0.0000   15.719   12.199  ?   ?    70.995   25.265      ?      ? 
1 1 1   16   30   16 o  101.580   23.223   33.301   12.470   0.0000   0.0000   33.301   12.470  ?   ?   101.580   23.223      ?      ? 
1 1 1   16   30   17 o  135.297   17.725   54.076   12.959   0.0000   0.0000   54.076   12.959  ?   ?   135.297   17.725      ?      ? 
1 1 1   16   30   18 o   89.517   25.170   26.754   12.684   0.0000   0.0000   26.754   12.684  ?   ?    89.517   25.170      ?      ? 
1 1 1   16   30   19 o   79.942   25.868   21.555   12.749   0.0000   0.0000   21.555   12.749  ?   ?    79.942   25.868      ?      ? 
1 1 1   16   30   20 o   98.223   24.474   32.422   12.943   0.0000   0.0000   32.422   12.943  ?   ?    98.223   24.474      ?      ? 
1 1 1   16   30   21 o  111.105   14.813   35.925   8.8934   0.0000   0.0000   35.925   8.8934  ?   ?   111.105   14.813      ?      ? 
1 1 1   16   30   22 o   89.874   17.932   24.933   8.4036   0.0000   0.0000   24.933   8.4036  ?   ?    89.874   17.932      ?      ? 
1 1 1   16   30   23 o  146.878   10.560   60.806   8.3811   0.0000   0.0000   60.806   8.3811  ?   ?   146.878   10.560      ?      ? 
1 1 1   16   30   24 o  114.557   13.075   38.106   8.0937   0.0000   0.0000   38.106   8.0937  ?   ?   114.557   13.075      ?      ? 
1 1 1   16   30   25 o   33.036   15.685  -7.1710   7.5733   0.0000   0.0000  -7.1710   7.5733  ?   ?    33.036   15.685      ?      ? 
1 1 1   16   30   26 o  191.517   9.8760  103.183   10.221   0.0000   0.0000  103.183   10.221  ?   ?   191.517   9.8760      ?      ? 
1 1 1   16   30   27 o   44.167   18.592   2.6306   7.5536   0.0000   0.0000   2.6306   7.5536  ?   ?    44.167   18.592      ?      ? 
1 1 1   16   30   28 o   61.317   19.430   12.004   7.2218   0.0000   0.0000   12.004   7.2218  ?   ?    61.317   19.430      ?      ? 
1 1 1   16   30   29 o   35.009   16.241  -3.8966   7.3433   0.0000   0.0000  -3.8966   7.3433  ?   ?    35.009   16.241      ?      ? 
1 1 1   16   30   30 o  127.877   11.629   48.217   8.0360   0.0000   0.0000   48.217   8.0360  ?   ?   127.877   11.629      ?      ? 
1 1 1   16   30   31 o   45.050   18.387   4.6796   7.0765   0.0000   0.0000   4.6796   7.0765  ?   ?    45.050   18.387      ?      ? 
1 1 1   16   30   32 o   43.987   18.194   4.0023   7.0478   0.0000   0.0000   4.0023   7.0478  ?   ?    43.987   18.194      ?      ? 
1 1 1   16   30   33 o   39.990   17.324   2.0142   6.9056   0.0000   0.0000   2.0142   6.9056  ?   ?    39.990   17.324      ?      ? 
1 1 1   16   31    0 o  183.319   12.584   94.862   12.465   0.0000   0.0000   94.862   12.465  ?   ?   183.319   12.584      ?      ? 
1 1 1   16   31    1 o  220.139   7.4930  134.339   8.5526  137.883   14.324  132.376   10.662  221.443   11.970  218.835   9.0163 2.607635 14.98607 
1 1 1   16   31    2 o   99.885   13.098   31.140   6.6223   25.203   10.512   35.048   8.5271   89.048   21.979  110.723   14.252 -21.67506 26.19539 
1 1 1   16   31    3 o   53.576   14.869   6.4507   6.1386   6.9730   10.017   6.1366   7.7683   55.884   22.200   51.267   19.788 4.617336 29.73863 
1 1 1   16   31    4 o  105.582   13.639   31.752   7.7812   0.0000   0.0000   31.752   7.7812  ?   ?   105.582   13.639      ?      ? 
1 1 1   16   31    5 o   53.188   19.950   7.2394   7.7563   0.0000   0.0000   7.2394   7.7563  ?   ?    53.188   19.950      ?      ? 
1 1 1   16   31    6 o   98.141   15.209   27.810   8.0655   0.0000   0.0000   27.810   8.0655  ?   ?    98.141   15.209      ?      ? 
1 1 1   16   31    7 o   72.261   19.151   16.204   7.5987   0.0000   0.0000   16.204   7.5987  ?   ?    72.261   19.151      ?      ? 
1 1 1   16   31    8 o  177.307   11.380   88.232   10.903   0.0000   0.0000   88.232   10.903  ?   ?   177.307   11.380      ?      ? 
1 1 1   16   31    9 f   88.466   16.691   23.475   7.6862   0.0000   0.0000   23.475   7.6862  ?   ?    88.466   16.691      ?      ? 
1 1 1   16   31   10 o  143.659   10.767   57.680   8.3580   0.0000   0.0000   57.680   8.3580  ?   ?   143.659   10.767      ?      ? 
1 1 1   16   31   11 o  103.866   14.121   30.888   7.9254   0.0000   0.0000   30.888   7.9254  ?   ?   103.866   14.121      ?      ? 
1 1 1   16   31   12 o   82.258   17.907   20.693   7.7339   0.0000   0.0000   20.693   7.7339  ?   ?    82.258   17.907      ?      ? 
1 1 1   16   31   13 o  146.659   12.834   61.185   10.171   0.0000   0.0000   61.185   10.171  ?   ?   146.659   12.834      ?      ? 
1 1 1   16   31   14 o   32.611   15.506  -7.8534   7.4534   0.0000   0.0000  -7.8534   7.4534  ?   ?    32.611   15.506      ?      ? 
1 1 1   16   31   15 o   99.258   14.554   28.581   7.8063   0.0000   0.0000   28.581   7.8063  ?   ?    99.258   14.554      ?      ? 
1 1 1   16   31   16 o  132.182   11.651   49.459   8.3217   0.0000   0.0000   49.459   8.3217  ?   ?   132.182   11.651      ?      ? 
1 1 1   16   31   17 o   84.741   17.698   22.155   7.8425   0.0000   0.0000   22.155   7.8425  ?   ?    84.741   17.698      ?      ? 
1 1 1   16   31   18 o  211.656   9.2618  124.931   10.593   0.0000   0.0000  124.931   10.593  ?   ?   211.656   9.2618      ?      ? 
1 1 1   16   31   19 o   35.182   16.444  -5.4232   7.7535   0.0000   0.0000  -5.4232   7.7535  ?   ?    35.182   16.444      ?      ? 
1 1 1   16   31   20 o   73.484   24.182   19.008   11.121   0.0000   0.0000   19.008   11.121  ?   ?    73.484   24.182      ?      ? 
1 1 1   16   31   21 o  146.059   14.826   63.245   11.701   0.0000   0.0000   63.245   11.701  ?   ?   146.059   14.826      ?      ? 
1 1 1   16   31   22 o   52.328   22.872   2.9902   12.262   0.0000   0.0000   2.9902   12.262  ?   ?    52.328   22.872      ?      ? 
1 1 1   16   31   23 o  147.626   16.379   65.342   13.066   0.0000   0.0000   65.342   13.066  ?   ?   147.626   16.379      ?      ? 
1 1 1   16   31   24 o   57.914   23.925   8.0092   12.165   0.0000   0.0000   8.0092   12.165  ?   ?    57.914   23.925      ?      ? 
1 1 1   16   31   25 o   44.227   20.543  -4.5849   11.808   0.0000   0.0000  -4.5849   11.808  ?   ?    44.227   20.543      ?      ? 
1 1 1   16   31   26 o   73.402   25.467   21.841   12.340   0.0000   0.0000   21.841   12.340  ?   ?    73.402   25.467      ?      ? 
1 1 1   16   31   27 o   46.965   21.449   0.7848   12.125   0.0000   0.0000   0.7848   12.125  ?   ?    46.965   21.449      ?      ? 
1 1 1   16   31   28 o   64.964   24.980   15.600   12.345   0.0000   0.0000   15.600   12.345  ?   ?    64.964   24.980      ?      ? 
1 1 1   16   31   29 o   47.940   22.503  -3.3896   14.789   0.0000   0.0000  -3.3896   14.789  ?   ?    47.940   22.503      ?      ? 
1 1 1   16   32    0 f   58.097   14.788   9.6375   5.8799   9.6059   9.1007   9.6602   7.7037   58.624   21.684   57.570   20.114 1.053776 29.57633 
1 1 1   16   32    1 o  130.050   10.349   47.085   7.1295   58.671   11.555   39.963   9.0595  142.267   15.031  117.832   14.228 24.43539 20.69723 
1 1 1   16   32    2 o   46.033   14.108   1.0240   6.4975  -1.7020   10.100   2.9484   8.4865   44.925   20.134   47.141   19.768 -2.216854 28.21586 
1 1 1   16   32    3 o   80.503   18.109   20.021   7.6869   0.0000   0.0000   20.021   7.6869  ?   ?    80.503   18.109      ?      ? 
1 1 1   16   32    4 o   39.129   17.600  -2.0933   7.7949   0.0000   0.0000  -2.0933   7.7949  ?   ?    39.129   17.600      ?      ? 
1 1 1   16   32    5 o   41.897   18.381  -0.1214   7.9857   0.0000   0.0000  -0.1214   7.9857  ?   ?    41.897   18.381      ?      ? 
1 1 1   16   32    6 o   58.314   19.942   10.211   7.5550   0.0000   0.0000   10.211   7.5550  ?   ?    58.314   19.942      ?      ? 
1 1 1   16   32    7 f   36.024   16.552  -3.8485   7.3678   0.0000   0.0000  -3.8485   7.3678  ?   ?    36.024   16.552      ?      ? 
1 1 1   16   32    8 o   90.746   16.274   24.852   7.6870   0.0000   0.0000   24.852   7.6870  ?   ?    90.746   16.274      ?      ? 
1 1 1   16   32    9 f   69.954   19.546   15.506   7.6741   0.0000   0.0000   15.506   7.6741  ?   ?    69.954   19.546      ?      ? 
1 1 1   16   32   10 o   46.337   18.896   3.8820   7.4658   0.0000   0.0000   3.8820   7.4658  ?   ?    46.337   18.896      ?      ? 
1 1 1   16   32   11 o   72.411   18.888   16.581   7.4676   0.0000   0.0000   16.581   7.4676  ?   ?    72.411   18.888      ?      ? 
1 1 1   16   32   12 o   64.676   19.680   13.342   7.4926   0.0000   0.0000   13.342   7.4926  ?   ?    64.676   19.680      ?      ? 
1 1 1   16   32   13 o   97.651   14.794   28.122   7.8063   0.0000   0.0000   28.122   7.8063  ?   ?    97.651   14.794      ?      ? 
1 1 1   16   32   14 o   56.101   19.929   9.6335   7.5871   0.0000   0.0000   9.6335   7.5871  ?   ?    56.101   19.929      ?      ? 
1 1 1   16   32   15 o   91.996   16.607   26.205   7.9518   0.0000   0.0000   26.205   7.9518  ?   ?    91.996   16.607      ?      ? 
1 1 1   16   32   16 o   47.891   19.416   4.8987   7.8274   0.0000   0.0000   4.8987   7.8274  ?   ?    47.891   19.416      ?      ? 
1 1 1   16   32   17 o   29.966   14.622 -12.1675   7.7380   0.0000   0.0000 -12.1675   7.7380  ?   ?    29.966   14.622      ?      ? 
1 1 1   16   32   18 o  152.185   10.802   65.571   8.8831   0.0000   0.0000   65.571   8.8831  ?   ?   152.185   10.802      ?      ? 
1 1 1   16   32   19 o   84.141   18.207   22.311   8.0380   0.0000   0.0000   22.311   8.0380  ?   ?    84.141   18.207      ?      ? 
1 1 1   16   32   20 o   31.503   15.240 -10.5577   7.9318   0.0000   0.0000 -10.5577   7.9318  ?   ?    31.503   15.240      ?      ? 
1 1 1   16   32   21 o  133.102   12.034   51.449   8.6551   0.0000   0.0000   51.449   8.6551  ?   ?   133.102   12.034      ?      ? 
1 1 1   16   32   22 o   85.697   19.306   25.211   8.7257   0.0000   0.0000   25.211   8.7257  ?   ?    85.697   19.306      ?      ? 
1 1 1   16   32   23 o  104.755   18.916   37.123   10.313   0.0000   0.0000   37.123   10.313  ?   ?   104.755   18.916      ?      ? 
1 1 1   16   32   24 o   44.320   19.796   0.8016   9.6764   0.0000   0.0000   0.8016   9.6764  ?   ?    44.320   19.796      ?      ? 
1 1 1   16   32   25 o   68.671   22.316   17.184   9.4823   0.0000   0.0000   17.184   9.4823  ?   ?    68.671   22.316      ?      ? 
1 1 1   16   32   26 f   54.544   21.653   9.8808   9.5233   0.0000   0.0000   9.8808   9.5233  ?   ?    54.544   21.653      ?      ? 
1 1 1   16   32   27 o  126.646   15.488   51.080   10.599   0.0000   0.0000   51.080   10.599  ?   ?   126.646   15.488      ?      ? 
1 1 1   16   33    0 o   57.908   14.985   6.3193   6.3709   19.689   10.994  -0.4412   7.8174   75.272   23.986   40.544   17.969 34.72785 29.97056 
1 1 1   16   33    1 o   90.564   13.814   25.810   6.4657   30.225   10.272   22.913   8.3209   96.374   20.362   84.753   18.673 11.62097 27.62773 
1 1 1   16   33    2 f   51.608   20.072   6.9540   8.0403   0.0000   0.0000   6.9540   8.0403  ?   ?    51.608   20.072      ?      ? 
1 1 1   16   33    3 o   38.244   17.194  -1.5180   7.4303   0.0000   0.0000  -1.5180   7.4303  ?   ?    38.244   17.194      ?      ? 
1 1 1   16   33    4 o   94.212   16.805   27.504   8.2416   0.0000   0.0000   27.504   8.2416  ?   ?    94.212   16.805      ?      ? 
1 1 1   16   33    5 f   86.607   17.316   23.533   7.8206   0.0000   0.0000   23.533   7.8206  ?   ?    86.607   17.316      ?      ? 
1 1 1   16   33    6 o  112.466   14.835   37.556   9.0157   0.0000   0.0000   37.556   9.0157  ?   ?   112.466   14.835      ?      ? 
1 1 1   16   33    7 o   61.518   20.468   12.244   7.9596   0.0000   0.0000   12.244   7.9596  ?   ?    61.518   20.468      ?      ? 
1 1 1   16   33    8 o   66.677   19.655   14.486   7.5635   0.0000   0.0000   14.486   7.5635  ?   ?    66.677   19.655      ?      ? 
1 1 1   16   33    9 o   71.905   19.484   16.799   7.7587   0.0000   0.0000   16.799   7.7587  ?   ?    71.905   19.484      ?      ? 
1 1 1   16   33   10 o   42.438   18.613   0.4207   8.1834   0.0000   0.0000   0.4207   8.1834  ?   ?    42.438   18.613      ?      ? 
1 1 1   16   33   11 o   65.715   21.387   14.111   8.7079   0.0000   0.0000   14.111   8.7079  ?   ?    65.715   21.387      ?      ? 
1 1 1   16   33   12 o  154.663   11.785   68.283   9.8492   0.0000   0.0000   68.283   9.8492  ?   ?   154.663   11.785      ?      ? 
1 1 1   16   33   13 o   90.782   21.770   27.386   10.541   0.0000   0.0000   27.386   10.541  ?   ?    90.782   21.770      ?      ? 
1 1 1   16   33   14 o   29.153   14.633 -25.8728   10.078   0.0000   0.0000 -25.8728   10.078  ?   ?    29.153   14.633      ?      ? 
1 1 1   16   33   15 o   67.469   23.207   15.788   10.236   0.0000   0.0000   15.788   10.236  ?   ?    67.469   23.207      ?      ? 
1 1 1   16   33   16 o  110.888   18.232   39.615   10.924   0.0000   0.0000   39.615   10.924  ?   ?   110.888   18.232      ?      ? 
1 1 1   16   33   17 o   40.274   18.890  -4.3022   10.387   0.0000   0.0000  -4.3022   10.387  ?   ?    40.274   18.890      ?      ? 
1 1 1   16   33   18 f   77.699   23.323   23.336   10.575   0.0000   0.0000   23.336   10.575  ?   ?    77.699   23.323      ?      ? 
1 1 1   16   33   19 o   47.021   20.623   2.8692   10.046   0.0000   0.0000   2.8692   10.046  ?   ?    47.021   20.623      ?      ? 
1 1 1   16   33   20 o   51.293   21.480   6.3491   9.9987   0.0000   0.0000   6.3491   9.9987  ?   ?    51.293   21.480      ?      ? 
1 1 1   16   33   21 o   49.634   20.589   6.2939   9.0622   0.0000   0.0000   6.2939   9.0622  ?   ?    49.634   20.589      ?      ? 
1 1 1   16   33   22 o   37.725   17.666  -3.9233   9.0223   0.0000   0.0000  -3.9233   9.0223  ?   ?    37.725   17.666      ?      ? 
1 1 1   16   33   23 o   32.588   15.531  -6.1106   7.5674   0.0000   0.0000  -6.1106   7.5674  ?   ?    32.588   15.531      ?      ? 
1 1 1   16   34    0 o   35.202   12.414 -27.8444   9.3662 -28.2883   12.494 -27.2748   14.152   33.437   16.710   36.967   18.362 -3.530083 24.82760 
1 1 1   16   34    1 o   42.542   20.603 -16.2005   14.597   0.0000   0.0000 -16.2005   14.597  ?   ?    42.542   20.603      ?      ? 
1 1 1   16   34    2 o   45.638   20.624  -1.4828   10.852   0.0000   0.0000  -1.4828   10.852  ?   ?    45.638   20.624      ?      ? 
1 1 1   16   34    3 o   66.916   24.310   15.006   11.360   0.0000   0.0000   15.006   11.360  ?   ?    66.916   24.310      ?      ? 
1 1 1   16   34    4 o   40.704   19.263  -8.2589   11.238   0.0000   0.0000  -8.2589   11.238  ?   ?    40.704   19.263      ?      ? 
1 1 1   16   34    5 o   79.424   24.370   22.684   11.458   0.0000   0.0000   22.684   11.458  ?   ?    79.424   24.370      ?      ? 
1 1 1   16   34    6 o   56.530   22.946   8.8331   10.946   0.0000   0.0000   8.8331   10.946  ?   ?    56.530   22.946      ?      ? 
1 1 1   16   34    7 o   68.628   24.008   17.304   10.977   0.0000   0.0000   17.304   10.977  ?   ?    68.628   24.008      ?      ? 
1 1 1   16   34    8 o   84.739   23.086   26.612   10.859   0.0000   0.0000   26.612   10.859  ?   ?    84.739   23.086      ?      ? 
1 1 1   16   34    9 o   59.092   22.469   12.456   9.9173   0.0000   0.0000   12.456   9.9173  ?   ?    59.092   22.469      ?      ? 
1 1 1   16   34   10 o   44.340   19.534   2.4295   9.1026   0.0000   0.0000   2.4295   9.1026  ?   ?    44.340   19.534      ?      ? 
1 1 1   16   34   11 o   55.337   21.498   10.280   9.2154   0.0000   0.0000   10.280   9.2154  ?   ?    55.337   21.498      ?      ? 
1 1 1   16   34   12 o   74.620   19.509   19.179   7.9548   0.0000   0.0000   19.179   7.9548  ?   ?    74.620   19.509      ?      ? 
1 1 1   16   34   13 o   39.272   17.520  -0.1639   7.5551   0.0000   0.0000  -0.1639   7.5551  ?   ?    39.272   17.520      ?      ? 
1 1 1   16   34   14 o   40.372   17.892   0.4117   7.7500   0.0000   0.0000   0.4117   7.7500  ?   ?    40.372   17.892      ?      ? 
1 1 1   16   34   15 o   70.167   20.065   17.245   7.9906   0.0000   0.0000   17.245   7.9906  ?   ?    70.167   20.065      ?      ? 
1 1 1   16   34   16 o   57.406   20.395   11.597   7.9459   0.0000   0.0000   11.597   7.9459  ?   ?    57.406   20.395      ?      ? 
1 1 1   16   34   17 o   43.007   18.411   3.4455   7.6224   0.0000   0.0000   3.4455   7.6224  ?   ?    43.007   18.411      ?      ? 
1 1 1   16   35    0 o   63.135   15.289   14.082   6.5844   9.0045   9.9746   18.002   8.7656   54.934   22.042   71.335   21.193 -16.40033 30.57771 
1 1 1   16   35    1 o   61.652   20.739   13.122   8.1698   0.0000   0.0000   13.122   8.1698  ?   ?    61.652   20.739      ?      ? 
1 1 1   16   35    2 o   40.167   17.782   0.4369   7.6345   0.0000   0.0000   0.4369   7.6345  ?   ?    40.167   17.782      ?      ? 
1 1 1   16   35    3 o   72.608   20.139   18.274   8.1780   0.0000   0.0000   18.274   8.1780  ?   ?    72.608   20.139      ?      ? 
1 1 1   16   35    4 o   69.415   19.887   16.693   7.8419   0.0000   0.0000   16.693   7.8419  ?   ?    69.415   19.887      ?      ? 
1 1 1   16   35    5 o   77.162   19.182   20.330   7.9635   0.0000   0.0000   20.330   7.9635  ?   ?    77.162   19.182      ?      ? 
1 1 1   16   35    6 o   44.245   18.858   3.5265   7.9340   0.0000   0.0000   3.5265   7.9340  ?   ?    44.245   18.858      ?      ? 
1 1 1   16   35    7 o   56.152   20.604   10.917   8.1904   0.0000   0.0000   10.917   8.1904  ?   ?    56.152   20.604      ?      ? 
1 1 1   16   35    8 o   41.788   18.345   1.9549   7.9651   0.0000   0.0000   1.9549   7.9651  ?   ?    41.788   18.345      ?      ? 
1 1 1   16   35    9 o   41.579   18.166   2.2442   7.7281   0.0000   0.0000   2.2442   7.7281  ?   ?    41.579   18.166      ?      ? 
1 1 1   16   35   10 o   76.771   19.323   20.968   8.0102   0.0000   0.0000   20.968   8.0102  ?   ?    76.771   19.323      ?      ? 
1 1 1   17    0    0 o  332.728   4.7196  299.574   11.990  299.574   11.990  299.574   11.990  332.728   6.6746  332.728   6.6746 0.000000 0.000000 
1 1 1   17    0    1 o  448.533   5.8594  544.392   20.069  544.392   20.069  544.392   20.069  448.533   8.2864  448.533   8.2864 0.000000 0.000000 
1 1 1   17    0    2 o  702.402   8.6422  1335.68   46.357  1335.68   46.357  1335.68   46.357  702.402   12.222  702.402   12.222 0.000000 0.000000 
1 1 1   17    0    3 o  285.972   4.3055  221.315   9.3995  221.315   9.3995  221.315   9.3995  285.972   6.0889  285.972   6.0889 0.000000 0.000000 
1 1 1   17    0    4 o  235.912   3.9172  150.651   7.0533  150.651   7.0533  150.651   7.0533  235.912   5.5398  235.912   5.5398 0.000000 0.000000 
1 1 1   17    0    5 o  625.762   7.7652  1059.84   37.108  1059.84   37.108  1059.84   37.108  625.762   10.982  625.762   10.982 0.000000 0.000000 
1 1 1   17    0    6 o  645.107   7.9909  1126.42   39.367  1126.42   39.367  1126.42   39.367  645.107   11.301  645.107   11.301 0.000000 0.000000 
1 1 1   17    0    7 o  272.873   4.2003  201.510   8.7493  201.510   8.7493  201.510   8.7493  272.873   5.9401  272.873   5.9401 0.000000 0.000000 
1 1 1   17    0    8 o  186.465   3.7047   94.179   5.2696   94.179   5.2696   94.179   5.2696  186.465   5.2393  186.465   5.2393 0.000000 0.000000 
1 1 1   17    0    9 o  365.630   5.0373  361.726   14.063  361.726   14.063  361.726   14.063  365.630   7.1238  365.630   7.1238 0.000000 0.000000 
1 1 1   17    0   10 o  1246.83   14.908  4215.64  141.950  4215.64  141.950  4215.64  141.950  1246.83   21.082  1246.83   21.082 0.000000 0.000000 
1 1 1   17    0   11 o  602.388   10.623  983.558   48.832  983.558   48.832  983.558   48.832  602.388   15.023  602.388   15.023 0.000000 0.000000 
1 1 1   17    0   12 o  444.703   8.2279  535.811   27.918  535.811   27.918  535.811   27.918  444.703   11.636  444.703   11.636 0.000000 0.000000 
1 1 1   17    0   13 o  190.045   6.1992   98.243   8.9595   98.243   8.9595   98.243   8.9595  190.045   8.7670  190.045   8.7670 0.000000 0.000000 
1 1 1   17    0   14 o  624.045   7.8008  1053.82   37.175  1053.82   37.175  1053.82   37.175  624.045   11.032  624.045   11.032 0.000000 0.000000 
1 1 1   17    0   15 o  748.326   9.1630  1515.62   52.365  1515.62   52.365  1515.62   52.365  748.326   12.958  748.326   12.958 0.000000 0.000000 
1 1 1   17    0   16 o  400.768   5.4325  434.550   16.624  434.550   16.624  434.550   16.624  400.768   7.6827  400.768   7.6827 0.000000 0.000000 
1 1 1   17    0   20 o  522.943   6.7385  739.880   26.909  739.880   26.909  739.880   26.909  522.943   9.5297  522.943   9.5297 0.000000 0.000000 
1 1 1   17    0   21 o  531.535   6.8227  764.409   27.693  764.409   27.693  764.409   27.693  531.535   9.6488  531.535   9.6488 0.000000 0.000000 
1 1 1   17    0   22 o  649.637   8.1452  1141.99   40.408  1141.99   40.408  1141.99   40.408  649.637   11.519  649.637   11.519 0.000000 0.000000 
1 1 1   17    0   23 o  280.499   4.6504  212.971   9.9561  212.971   9.9561  212.971   9.9561  280.499   6.5767  280.499   6.5767 0.000000 0.000000 
1 1 1   17    0   24 o  956.476   11.556  2476.99   84.410  2476.99   84.410  2476.99   84.410  956.476   16.343  956.476   16.343 0.000000 0.000000 
1 1 1   17    0   25 o  508.027   6.5735  698.330   25.501  698.330   25.501  698.330   25.501  508.027   9.2963  508.027   9.2963 0.000000 0.000000 
1 1 1   17    0   28 o  896.839   10.959  2178.19   75.057  2178.19   75.057  2178.19   75.057  896.839   15.498  896.839   15.498 0.000000 0.000000 
1 1 1   17    0   29 o  157.674   4.8795   67.576   5.8538   67.576   5.8538   67.576   5.8538  157.674   6.9007  157.674   6.9007 0.000000 0.000000 
1 1 1   17    0   30 o  564.099   7.2330  861.208   31.157  861.208   31.157  861.208   31.157  564.099   10.229  564.099   10.229 0.000000 0.000000 
1 1 1   17    0   31 o  119.375   5.9066   39.084   5.3277   39.084   5.3277   39.084   5.3277  119.375   8.3532  119.375   8.3532 0.000000 0.000000 
1 1 1   17    0   32 o   32.604   12.971   3.8260   4.9074   3.8260   4.9074   3.8260   4.9074   32.604   18.343   32.604   18.343 0.000000 0.000000 
1 1 1   17    0   33 o  639.800   8.0417  1108.32   39.290  1108.32   39.290  1108.32   39.290  639.800   11.373  639.800   11.373 0.000000 0.000000 
1 1 1   17    0   34 o  574.284   7.3479  892.971   32.223  892.971   32.223  892.971   32.223  574.284   10.391  574.284   10.391 0.000000 0.000000 
1 1 1   17    0   35 o  120.714   6.1030   40.009   5.5638   40.009   5.5638   40.009   5.5638  120.714   8.6309  120.714   8.6309 0.000000 0.000000 
1 1 1   17    0   36 o  735.495   9.1071  1466.27   51.152  1466.27   51.152  1466.27   51.152  735.495   12.879  735.495   12.879 0.000000 0.000000 
1 1 1   17    0   37 o  113.877   6.5778   35.780   5.6364   35.780   5.6364   35.780   5.6364  113.877   9.3024  113.877   9.3024 0.000000 0.000000 
1 1 1   17    0   38 o  601.785   7.6575  981.570   35.190  981.570   35.190  981.570   35.190  601.785   10.829  601.785   10.829 0.000000 0.000000 
1 1 1   17    0   39 o  239.863   4.7252  155.959   8.6462  155.959   8.6462  155.959   8.6462  239.863   6.6825  239.863   6.6825 0.000000 0.000000 
1 1 1   17    0   40 o  357.684   5.3398  346.610   14.581  346.610   14.581  346.610   14.581  357.684   7.5516  357.684   7.5516 0.000000 0.000000 
1 1 1   17    0   41 o  312.660   5.0362  264.929   12.019  264.929   12.019  264.929   12.019  312.660   7.1223  312.660   7.1223 0.000000 0.000000 
1 1 1   17    0   42 o   30.625   12.618   3.0813   4.8848   3.0813   4.8848   3.0813   4.8848   30.625   17.845   30.625   17.845 0.000000 0.000000 
1 1 1   17    0   43 o  390.982   5.6255  414.456   16.792  414.456   16.792  414.456   16.792  390.982   7.9556  390.982   7.9556 0.000000 0.000000 
1 1 1   17    0   47 o  119.004   6.6385   39.172   5.9507   39.172   5.9507   39.172   5.9507  119.004   9.3882  119.004   9.3882 0.000000 0.000000 
1 1 1   17    0   48 o  334.765   5.3039  304.412   13.553  304.412   13.553  304.412   13.553  334.765   7.5009  334.765   7.5009 0.000000 0.000000 
1 1 1   17    0   49 f   48.615   14.384   9.2030   5.3569   9.2030   5.3569   9.2030   5.3569   48.615   20.343   48.615   20.343 0.000000 0.000000 
1 1 1   17    0   50 o  171.661   5.2798   80.453   6.8964   80.453   6.8964   80.453   6.8964  171.661   7.4668  171.661   7.4668 0.000000 0.000000 
1 1 1   17    0   51 o  219.588   4.9552  131.283   8.2960  131.283   8.2960  131.283   8.2960  219.588   7.0077  219.588   7.0077 0.000000 0.000000 
1 1 1   17    0   52 o  169.272   5.4266   78.383   6.9867   78.383   6.9867   78.383   6.9867  169.272   7.6743  169.272   7.6743 0.000000 0.000000 
1 1 1   17    0   53 o  152.112   5.7214   63.507   6.6078   63.507   6.6078   63.507   6.6078  152.112   8.0913  152.112   8.0913 0.000000 0.000000 
1 1 1   17    0   54 o   31.843   13.253   3.4600   5.4826   3.4600   5.4826   3.4600   5.4826   31.843   18.743   31.843   18.743 0.000000 0.000000 
1 1 1   17    0   55 o  234.037   5.1401  149.526   9.1729  149.526   9.1729  149.526   9.1729  234.037   7.2691  234.037   7.2691 0.000000 0.000000 
1 1 1   17    0   56 o   87.851   10.232   23.025   6.3092   23.025   6.3092   23.025   6.3092   87.851   14.471   87.851   14.471 0.000000 0.000000 
1 1 1   17    0   57 o  297.701   5.3463  242.189   12.145  242.189   12.145  242.189   12.145  297.701   7.5609  297.701   7.5609 0.000000 0.000000 
1 1 1   17    0   58 o   51.261   15.881   10.881   6.4902   10.881   6.4902   10.881   6.4902   51.261   22.459   51.261   22.459 0.000000 0.000000 
1 1 1   17    0   59 o  124.159   8.0667   43.864   7.5052   43.864   7.5052   43.864   7.5052  124.159   11.408  124.159   11.408 0.000000 0.000000 
1 1 1   17    0   60 o   70.916   15.662   18.085   7.4440   18.085   7.4440   18.085   7.4440   70.916   22.150   70.916   22.150 0.000000 0.000000 
1 1 1   17    0   61 f   40.791   15.933   7.3630   7.2457   7.3630   7.2457   7.3630   7.2457   40.791   22.533   40.791   22.533 0.000000 0.000000 
1 1 1   17    0   62 o   32.865   14.269   3.6639   6.9161   3.6639   6.9161   3.6639   6.9161   32.865   20.180   32.865   20.180 0.000000 0.000000 
1 1 1   17    0   63 o   52.800   16.467   12.347   6.9765   12.347   6.9765   12.347   6.9765   52.800   23.288   52.800   23.288 0.000000 0.000000 
1 1 1   17    1    0 o  109.155   3.8976   32.153   2.2968   33.453   3.3370   30.983   3.1662  111.247   5.5511  107.062   5.4728 4.184677 7.795271 
1 1 1   17    1    1 o  160.855   3.6651   70.001   3.1812   65.730   4.4991   74.272   4.4988  155.942   5.3392  165.768   5.0223 -9.826492 7.330112 
1 1 1   17    1    2 o  307.678   4.4804  255.750   7.4452  261.033   10.740  250.862   10.330  310.733   6.3965  304.623   6.2754 6.110352 8.960801 
1 1 1   17    1    3 o  950.558   11.465  2450.30   58.885  2471.50   84.066  2429.89   82.507  954.573   16.298  946.542   16.131 8.031189 22.93081 
1 1 1   17    1    4 o  438.584   5.7517  520.133   13.629  524.208   19.470  516.218   19.085  440.266   8.1840  436.902   8.0840 3.363342 11.50348 
1 1 1   17    1    5 o  788.133   9.5962  1682.55   40.868  1682.89   57.845  1682.21   57.747  788.211   13.581  788.054   13.561 0.1578369 19.19233 
1 1 1   17    1    6 o  324.493   4.6297  284.572   8.1157  288.111   11.639  281.223   11.322  326.454   6.5982  322.532   6.4961 3.922577 9.259327 
1 1 1   17    1    7 o  273.754   4.1991  202.447   6.2088  206.524   8.9477  198.662   8.6224  276.409   5.9906  271.099   5.8859 5.310181 8.398252 
1 1 1   17    1    8 o  741.113   9.0653  1486.66   36.294  1508.08   52.079  1466.42   50.606  746.291   12.914  735.935   12.726 10.35638 18.13058 
1 1 1   17    1    9 o  557.119   9.9297  839.672   29.893   0.0000   0.0000  839.672   29.893  ?   ?   557.119   9.9297      ?      ? 
1 1 1   17    1   10 o  264.584   5.1474  188.602   6.9409  187.283   8.4894  191.261   12.054  263.222   5.9685  265.945   8.3881 -2.722870 10.29486 
1 1 1   17    1   11 o  603.449   9.2697  978.693   28.225  966.089   34.152  1005.86   50.135  597.576   10.576  609.321   15.227 -11.74469 18.53945 
1 1 1   17    1   12 o  338.895   6.8775  310.465   12.595   0.0000   0.0000  310.465   12.595  ?   ?   338.895   6.8775      ?      ? 
1 1 1   17    1   13 o  1340.34   19.761  4870.27  133.800  4959.46  236.457  4828.26  162.280  1347.42   32.476  1333.26   22.525 14.15576 39.52285 
1 1 1   17    1   14 o  108.524   6.1732   33.362   3.1279   35.036   3.6577   28.806   6.0339  113.854   5.9453  103.194   10.821 10.66031 12.34636 
1 1 1   17    1   15 o  445.861   5.8453  537.239   14.075  531.092   19.539  543.869   20.293  443.215   8.1584  448.506   8.3732 -5.291748 11.69058 
1 1 1   17    1   17 o  1264.56   21.407  4337.27  146.282  4337.27  146.282   0.0000   0.0000  1264.56   21.407  ?   ?       ?      ? 
1 1 1   17    1   18 o  806.365   9.8311  1759.00   42.826  1740.54   59.756  1778.50   61.408  802.026   13.788  810.704   14.018 -8.678833 19.66226 
1 1 1   17    1   19 f  968.512   11.689  2539.69   61.174  2531.86   86.113  2547.67   86.920  967.011   16.480  970.012   16.583 -3.001282 23.37871 
1 1 1   17    1   21 o  789.052   9.6475  1684.81   41.132  1678.33   57.783  1691.46   58.563  787.521   13.578  790.583   13.709 -3.062378 19.29494 
1 1 1   17    1   23 o  624.898   7.8511  1056.08   26.506  1049.82   37.091  1062.62   37.894  623.010   11.017  626.785   11.188 -3.774475 15.70224 
1 1 1   17    1   24 o  433.601   5.7834  508.229   13.549  504.142   19.009  512.451   19.319  431.830   8.1461  435.371   8.2117 -3.541626 11.56675 
1 1 1   17    1   25 o  118.141   6.6007   37.727   4.2138   37.727   4.2138   0.0000   0.0000  118.141   6.6007  ?   ?       ?      ? 
1 1 1   17    1   26 o  679.295   8.4153  1248.72   30.888  1241.66   43.396  1255.97   43.974  677.353   11.856  681.238   11.946 -3.884827 16.83058 
1 1 1   17    1   27 o  627.281   7.8572  1064.59   26.630  1056.11   37.352  1073.35   37.977  624.746   11.064  629.815   11.159 -5.069092 15.71437 
1 1 1   17    1   28 o  831.396   10.162  1868.37   45.579  1809.86   62.351  1935.52   66.795  817.481   14.115  845.311   14.623 -27.83008 20.32414 
1 1 1   17    1   29 f   77.463   8.0746   16.569   3.2303   12.628   4.4822   20.829   4.6597   67.180   12.815   87.746   9.8275 -20.56550 16.14923 
1 1 1   17    1   30 o  117.750   8.1450   37.495   5.1825   37.495   5.1825   0.0000   0.0000  117.750   8.1450  ?   ?       ?      ? 
1 1 1   17    1   31 o  415.999   5.7753  467.960   12.981  464.325   18.197  471.726   18.523  414.357   8.1270  417.642   8.2077 -3.285187 11.55058 
1 1 1   17    1   32 o  651.031   8.1624  1147.49   28.709  1164.30   41.116  1131.50   40.104  655.673   11.605  646.388   11.482 9.284912 16.32471 
1 1 1   17    1   33 o  620.241   7.8292  1041.56   26.238  1051.73   37.413  1031.73   36.806  623.214   11.110  617.268   11.035 5.945251 15.65841 
1 1 1   17    1   34 o  154.910   5.2688   64.775   4.4057   61.446   6.0708   68.478   6.4036  150.715   7.4542  159.105   7.4482 -8.390213 10.53760 
1 1 1   17    1   35 o  277.332   4.8238  208.079   7.2278  209.282   10.143  206.839   10.302  278.150   6.7484  276.515   6.8947 1.635193 9.647685 
1 1 1   17    1   36 o  275.443   4.8072  205.158   7.1530  212.139   10.227  198.473   10.008  280.030   6.7586  270.856   6.8380 9.174408 9.614433 
1 1 1   17    1   37 o  376.861   5.4587  384.359   11.114  380.388   15.530  388.528   15.912  374.871   7.6664  378.851   7.7729 -3.980103 10.91749 
1 1 1   17    1   38 o  408.162   5.7413  451.241   12.662  450.857   17.841  451.631   17.975  407.990   8.0924  408.334   8.1463 -0.3434753 11.48255 
1 1 1   17    1   39 o  333.243   5.1663  300.632   9.3015  306.813   13.303  294.719   13.011  336.592   7.3141  329.893   7.2985 6.698944 10.33265 
1 1 1   17    1   40 o  137.320   5.6469   51.280   4.1717   56.534   5.8800   45.955   5.9196  144.450   7.5331  130.191   8.4144 14.25952 11.29376 
1 1 1   17    1   41 o  206.405   4.8234  114.635   5.3610  105.371   7.2310  125.942   7.9886  197.212   6.7854  215.598   6.8570 -18.38638 9.646791 
1 1 1   17    1   42 o  212.772   5.6748  121.397   6.2853  128.063   10.519  117.695   7.8386  217.154   8.9641  208.391   6.9610 8.763794 11.34952 
1 1 1   17    1   43 o  239.572   6.6914  156.087   8.6398  156.464   11.808  155.653   12.675  239.939   9.1075  239.204   9.8057 0.7342529 13.38282 
1 1 1   17    1   44 o  164.872   7.2243   74.178   6.3956   74.842   8.5983   73.356   9.5687  165.784   9.5980  163.960   10.800 1.824814 14.44868 
1 1 1   17    1   45 o  128.347   8.6072   44.822   5.9695   44.822   5.9695   0.0000   0.0000  128.347   8.6072  ?   ?       ?      ? 
1 1 1   17    1   46 o  218.152   7.0618  130.307   8.2961  123.513   12.032  136.464   11.455  212.604   10.473  223.700   9.4761 -11.09625 14.12353 
1 1 1   17    1   47 o  297.797   7.2814  241.911   11.667  251.126   17.449  234.459   15.691  302.770   10.665  292.823   9.9162 9.946777 14.56287 
1 1 1   17    1   48 o  122.340   6.6154   40.925   4.3636   40.954   6.3870   40.899   5.9757  122.333   9.6621  122.348   9.0386 -0.1512146E-01 13.23073 
1 1 1   17    1   49 o  175.932   5.2323   84.306   4.9727   83.938   6.9418   84.693   7.1269  175.554   7.3177  176.309   7.4806 -0.7555847 10.46460 
1 1 1   17    1   50 o  140.982   5.8398   54.363   4.4454   56.976   6.3029   51.777   6.2708  144.390   8.0782  137.574   8.4352 6.815689 11.67951 
1 1 1   17    1   51 o  263.440   5.0321  189.323   7.1632  190.254   10.116  188.386   10.145  264.100   7.0882  262.780   7.1445 1.320038 10.06414 
1 1 1   17    1   52 o   54.044   11.740   8.3123   3.8057   6.4176   5.2486   10.413   5.5262   48.701   16.621   59.388   16.584 -10.68631 23.48003 
1 1 1   17    1   53 o  141.182   5.9942   54.713   4.5702   53.949   6.3374   55.542   6.5970  140.184   8.3661  142.180   8.5865 -1.995499 11.98833 
1 1 1   17    1   54 o  209.756   5.1321  120.479   5.8123  127.100   8.2868  114.067   8.1546  215.482   7.1168  204.030   7.3964 11.45195 10.26428 
1 1 1   17    1   55 o  127.072   6.7574   44.811   4.6101   51.434   6.6118   38.545   6.4312  136.412   8.9698  117.732   10.109 18.67955 13.51484 
1 1 1   17    1   56 o  201.578   5.3617  111.660   5.8402  111.935   8.2638  111.387   8.2550  201.827   7.5772  201.328   7.5879 0.4991150 10.72338 
1 1 1   17    1   57 o  196.527   5.5882  106.424   5.9270   99.230   8.2515  114.092   8.5190  189.594   8.0542  203.459   7.7486 -13.86420 11.17633 
1 1 1   17    1   58 f  181.477   5.9287   91.229   5.8136   91.934   8.2002   90.516   8.2434  182.212   8.3283  180.742   8.4403 1.469727 11.85746 
1 1 1   17    1   59 o   81.270   11.800   20.639   5.0016   19.643   7.2545   21.542   6.9052   78.833   17.488   83.706   15.846 -4.873283 23.59925 
1 1 1   17    1   60 o  186.414   9.2795   97.211   9.3474   97.211   9.3474   0.0000   0.0000  186.414   9.2795  ?   ?       ?      ? 
1 1 1   17    1   61 o   51.713   13.684   7.7265   5.1816   6.2841   7.2666   9.2185   7.3907   48.870   19.061   54.556   19.639 -5.686382 27.36812 
1 1 1   17    1   62 o   54.515   13.180   8.9333   5.0604   3.3424   6.9491   15.245   7.3837   42.592   17.876   66.439   19.374 -23.84672 26.36041 
1 1 1   17    1   63 o   44.354   12.055   2.0586   4.9377  -7.4127   6.9062   11.963   7.0624   30.141   14.491   58.566   19.270 -28.42517 24.11071 
1 1 1   17    2    0 o  480.055   6.1980  623.320   16.077  618.688   22.644  628.028   22.831  478.257   8.7620  481.853   8.7685 -3.595947 12.39591 
1 1 1   17    2    1 o  540.202   6.8401  789.503   19.966  792.011   28.387  787.048   28.088  541.048   9.7093  539.356   9.6372 1.692261 13.68018 
1 1 1   17    2    2 o  369.042   7.1430  368.241   14.244   0.0000   0.0000  368.241   14.244  ?   ?   369.042   7.1430      ?      ? 
1 1 1   17    2    3 o  317.032   4.5880  271.600   7.8564  275.679   11.309  267.795   10.922  319.330   6.5540  314.734   6.4222 4.595490 9.175996 
1 1 1   17    2    4 o  251.072   5.6534  170.392   7.6701   0.0000   0.0000  170.392   7.6701  ?   ?   251.072   5.6534      ?      ? 
1 1 1   17    2    5 o  518.756   6.6041  727.543   18.503  740.350   26.670  715.658   25.693  523.149   9.4343  514.364   9.2439 8.785461 13.20817 
1 1 1   17    2    6 o  280.063   4.2781  211.911   6.4701  214.937   9.3470  209.128   8.9651  281.979   6.1343  278.146   5.9648 3.832733 8.556196 
1 1 1   17    2    7 o  571.337   10.129  883.139   31.271   0.0000   0.0000  883.139   31.271  ?   ?   571.337   10.129      ?      ? 
1 1 1   17    2    8 o  496.158   6.3882  665.839   17.127  663.696   24.274  667.964   24.169  495.361   9.0682  496.955   9.0003 -1.594238 12.77648 
1 1 1   17    2    9 o  267.065   5.2568  189.915   7.0402  185.188   8.4488  200.653   12.734  261.745   5.9735  272.386   8.6517 -10.64178 10.51354 
1 1 1   17    2   10 o  561.617   8.7198  849.800   24.767  842.565   30.060  865.090   43.701  558.095   9.9677  565.140   14.310 -7.045166 17.43966 
1 1 1   17    2   11 o  727.220   10.975  1437.17   40.735  1419.37   70.050  1446.26   50.071  723.476   17.918  730.964   12.677 -7.487915 21.94905 
1 1 1   17    2   12 o  756.395   11.373  1558.06   44.043  1525.00   75.087  1575.40   54.380  749.903   18.530  762.886   13.191 -12.98328 22.74570 
1 1 1   17    2   13 o  102.266   4.7718   26.514   2.4860   16.367   3.1453   43.403   4.0579   77.809   7.4808  126.723   5.9260 -48.91339 9.543548 
1 1 1   17    2   14 o  384.874   5.3419  400.453   11.110  398.447   15.718  402.456   15.705  383.910   7.5767  385.838   7.5324 -1.927765 10.68376 
1 1 1   17    2   15 o  163.001   4.6019   71.801   4.0533   71.801   4.0533   0.0000   0.0000  163.001   4.6019  ?   ?       ?      ? 
1 1 1   17    2   16 o  106.108   4.6095   30.425   2.6429   30.425   2.6429   0.0000   0.0000  106.108   4.6095  ?   ?       ?      ? 
1 1 1   17    2   17 o  527.635   6.7407  751.004   19.195  789.058   28.007  717.299   26.358  540.207   9.5946  515.062   9.4705 25.14441 13.48131 
1 1 1   17    2   19 o  324.752   6.4529  285.039   11.324  285.039   11.324   0.0000   0.0000  324.752   6.4529  ?   ?       ?      ? 
1 1 1   17    2   20 o  411.676   5.5828  457.745   12.389  452.674   16.902  463.634   18.215  409.220   7.6433  414.131   8.1395 -4.910309 11.16563 
1 1 1   17    2   21 o  240.778   4.3177  155.494   5.5109  150.806   7.0836  162.681   8.7712  236.223   5.5494  245.333   6.6163 -9.110458 8.635412 
1 1 1   17    2   22 o  1009.80   12.178  2760.51   66.414  2713.70   92.094  2811.23   95.867  1000.92   17.027  1018.68   17.416 -17.76807 24.35641 
1 1 1   17    2   24 o   66.289   6.7593   12.332   2.2936   15.123   3.1869   9.3331   3.3034   74.793   7.8854   57.786   10.981 17.00778 13.51857 
1 1 1   17    2   25 o  502.756   6.4909  683.522   17.633  682.256   24.823  684.811   25.053  502.288   9.1457  503.224   9.2132 -0.9361572 12.98177 
1 1 1   17    2   26 o  913.566   11.070  2261.39   54.645  2248.55   76.800  2274.54   77.767  910.950   15.602  916.182   15.708 -5.231445 22.13978 
1 1 1   17    2   27 o  704.475   8.7075  1343.21   33.145  1354.00   47.187  1332.70   46.568  707.264   12.347  701.685   12.282 5.579041 17.41498 
1 1 1   17    2   28 o  160.703   6.3906   69.810   5.5495   69.810   5.5495   0.0000   0.0000  160.703   6.3906  ?   ?       ?      ? 
1 1 1   17    2   29 o  266.929   4.6100  192.624   6.6472  192.839   9.2821  192.398   9.5236  267.084   6.4315  266.775   6.6065 0.3094788 9.220058 
1 1 1   17    2   30 o  450.248   6.0735  548.239   14.776  545.630   20.738  550.929   21.057  449.163   8.5444  451.333   8.6339 -2.170746 12.14709 
1 1 1   17    2   31 o  348.946   7.4038  329.253   13.960   0.0000   0.0000  329.253   13.960  ?   ?   348.946   7.4038      ?      ? 
1 1 1   17    2   32 o  627.445   7.9064  1065.48   26.797  1086.62   38.539  1045.69   37.284  633.458   11.259  621.432   11.103 12.02606 15.81271 
1 1 1   17    2   33 o  481.692   6.3975  627.640   16.649  638.948   23.812  616.825   23.288  485.933   9.0684  477.450   9.0263 8.483215 12.79491 
1 1 1   17    2   34 o  679.533   8.4877  1251.34   31.161  1269.00   44.563  1234.43   43.591  684.217   12.053  674.850   11.954 9.366760 16.97535 
1 1 1   17    2   35 o  187.556   4.8677   95.364   4.9211   98.860   6.8053   91.531   7.1246  191.177   6.5876  183.935   7.1681 7.242172 9.735426 
1 1 1   17    2   36 o  398.246   5.6501  428.717   12.150  445.026   17.587  413.825   16.806  405.479   8.0267  391.013   7.9539 14.46606 11.30010 
1 1 1   17    2   37 o  307.879   5.0120  256.360   8.3349  266.732   11.942  246.508   11.639  313.950   7.0392  301.807   7.1365 12.14313 10.02394 
1 1 1   17    2   38 o  303.713   4.9739  249.705   8.1625  253.116   11.555  246.307   11.532  305.787   6.9931  301.639   7.0750 4.147491 9.947856 
1 1 1   17    2   39 o  293.607   4.9273  233.386   7.8160  232.208   10.937  234.615   11.173  292.855   6.9115  294.359   7.0245 -1.503693 9.854578 
1 1 1   17    2   40 o  205.865   5.6092  115.052   6.0646  114.077   9.7843  115.660   7.7282  205.078   8.8292  206.652   6.9207 -1.573929 11.21838 
1 1 1   17    2   41 o  148.316   7.4118   60.977   5.8181   72.207   8.0359   48.604   8.4346  163.065   9.1198  133.568   11.686 29.49739 14.82363 
1 1 1   17    2   42 o  180.806   6.7296   88.910   6.5399   89.550   8.8242   88.131   9.7415  181.584   8.9931  180.029   10.014 1.555817 13.45919 
1 1 1   17    2   43 o  255.363   5.9392  176.622   7.7212  175.697   9.4402  178.491   13.420  254.573   6.8625  256.154   9.6954 -1.581360 11.87830 
1 1 1   17    2   44 o   45.828   11.117   4.8177   3.6068   8.3119   4.9149   0.7401   5.3094   54.316   15.797   37.340   15.646 16.97569 22.23360 
1 1 1   17    2   45 o  383.260   5.6017  399.093   11.599  408.421   16.605  390.206   16.208  387.629   7.9277  378.891   7.9164 8.738800 11.20343 
1 1 1   17    2   46 o  279.797   6.0908  209.679   8.5753  203.838   10.318  222.725   15.420  273.973   6.9694  285.622   9.9910 -11.64828 12.18164 
1 1 1   17    2   47 o  190.833   7.4610   99.892   7.6789   97.230   11.119  102.320   10.617  188.303   10.928  193.362   10.161 -5.058289 14.92206 
1 1 1   17    2   48 o  146.786   8.4446   59.628   6.6597   56.306   9.7806   62.500   9.0934  142.777   12.677  150.795   11.160 -8.018799 16.88927 
1 1 1   17    2   49 o   77.918   12.339   18.319   4.8556   14.905   8.6988   19.865   5.8522   71.138   21.107   84.698   12.787 -13.56042 24.67810 
1 1 1   17    2   50 o   65.360   10.909   12.684   3.8118   14.771   5.1664   10.190   5.6471   71.609   13.853   59.112   16.856 12.49720 21.81775 
1 1 1   17    2   51 o  100.020   7.7221   28.072   4.0811   34.394   5.7399   21.609   5.8036  111.860   9.4961   88.181   12.180 23.67863 15.44414 
1 1 1   17    2   52 o  295.155   5.1511  238.172   8.2137  242.503   11.574  233.779   11.658  297.902   7.1899  292.408   7.3782 5.494812 10.30212 
1 1 1   17    2   53 o  108.009   7.4403   33.008   4.2194   41.013   5.8994   24.624   6.0373  122.079   8.9428   93.938   11.894 28.14157 14.88062 
1 1 1   17    2   54 o   47.442   11.676   5.4994   3.9294   9.2565   5.5128   1.6191   5.6024   55.969   16.848   38.915   16.169 17.05369 23.35131 
1 1 1   17    2   55 o  178.284   5.4918   87.483   5.2838   91.207   7.4061   83.623   7.5405  182.248   7.5204  174.319   8.0051 7.928482 10.98351 
1 1 1   17    2   56 o   88.777   10.061   23.971   4.3936   35.406   6.2497   12.797   6.1778  112.727   10.260   64.828   17.310 47.89896 20.12210 
1 1 1   17    2   57 o  105.376   8.1805   31.437   4.6454   33.021   6.4601   29.741   6.6849  108.337   11.035  102.414   12.079 5.923767 16.36107 
1 1 1   17    2   58 o  110.842   8.3683   34.990   4.9920   37.931   6.9995   31.945   7.1216  115.887   11.177  105.797   12.457 10.09036 16.73654 
1 1 1   17    2   59 o  159.784   6.5375   71.518   5.6381   67.004   7.8165   76.413   8.1404  154.460   9.3650  165.108   9.1241 -10.64761 13.07492 
1 1 1   17    2   61 o  148.101   7.3019   62.614   5.8434   63.339   8.2884   61.897   8.2395  148.978   10.296  147.225   10.357 1.752869 14.60381 
1 1 1   17    2   62 o   85.167   11.682   23.096   5.2619   20.511   7.4183   25.713   7.4646   78.826   17.833   91.508   15.096 -12.68218 23.36461 
1 1 1   17    2   63 o  194.791   6.1799  107.925   6.5035  110.357   9.3066  105.605   9.0920  196.928   8.7457  192.654   8.7336 4.273117 12.35972 
1 1 1   17    3    0 o  249.402   4.0986  168.153   5.5221  167.495   7.8931  168.784   7.7283  248.922   5.8681  249.881   5.7235 -0.9588318 8.197131 
1 1 1   17    3    1 o  377.962   5.1844  386.276   10.588  384.368   15.000  388.171   14.948  377.030   7.3627  378.893   7.3009 -1.863068 10.36884 
1 1 1   17    3    2 o  351.786   4.9403  334.598   9.3906  333.869   13.348  335.313   13.214  351.405   7.0294  352.167   6.9437 -0.7622375 9.880651 
1 1 1   17    3    3 o  882.446   10.697  2110.61   51.007  2109.79   72.215  2111.42   72.055  882.271   15.147  882.620   15.108 -0.3493042 21.39367 
1 1 1   17    3    4 o  414.450   7.7855  464.472   17.436   0.0000   0.0000  464.472   17.436  ?   ?   414.450   7.7855      ?      ? 
1 1 1   17    3    6 o  646.436   8.0199  1129.89   27.992  1156.38   40.569  1105.81   38.673  653.649   11.486  639.224   11.196 14.42444 16.03977 
1 1 1   17    3    7 o  607.522   7.5916  998.621   24.920  1004.72   35.524  992.710   34.966  609.345   10.789  605.700   10.683 3.644653 15.18310 
1 1 1   17    3    8 o  591.196   7.4149  945.214   23.678  960.356   34.083  931.089   32.918  595.763   10.587  586.630   10.384 9.132141 14.82970 
1 1 1   17    3    9 o  868.568   12.929  2052.73   57.449  2065.47   70.788  2028.15   98.327  873.116   15.004  864.021   21.060 9.094849 25.85814 
1 1 1   17    3   10 f  569.960   7.1978  877.336   22.139  905.113   32.329  852.808   30.380  578.430   10.343  561.490   10.013 16.94000 14.39557 
1 1 1   17    3   11 o  1246.87   18.315  4246.81  116.887  4182.43  199.600  4280.41  144.200  1238.16   29.833  1255.57   21.254 -17.40771 36.62952 
1 1 1   17    3   12 o  645.997   8.0289  1128.31   28.014  1106.26   38.913  1152.04   40.363  639.456   11.261  652.538   11.447 -13.08228 16.05779 
1 1 1   17    3   13 f   79.700   4.8459   17.006   2.0770   15.264   2.7847   19.190   3.1180   75.144   6.8580   84.257   6.8483 -9.112976 9.691867 
1 1 1   17    3   14 o  166.617   4.2416   74.965   3.7980   75.676   5.6887   74.393   5.1015  167.326   6.2916  165.908   5.6904 1.418182 8.483224 
1 1 1   17    3   15 o  217.281   4.9362  127.585   5.7957  127.585   5.7957   0.0000   0.0000  217.281   4.9362  ?   ?       ?      ? 
1 1 1   17    3   17 o  465.669   8.8036  586.250   22.153   0.0000   0.0000  586.250   22.153  ?   ?   465.669   8.8036      ?      ? 
1 1 1   17    3   19 o  556.018   10.167  835.985   30.547   0.0000   0.0000  835.985   30.547  ?   ?   556.018   10.167      ?      ? 
1 1 1   17    3   21 o  1795.91   21.582  8774.59  209.171  8986.20  305.009  8586.70  287.401  1816.06   31.081  1775.77   29.951 40.29565 43.16370 
1 1 1   17    3   22 o  722.771   8.9477  1413.47   34.945  1421.88   49.332  1405.01   49.509  724.933   12.593  720.609   12.714 4.323975 17.89544 
1 1 1   17    3   23 o  668.930   8.3482  1209.40   30.161  1246.94   43.488  1174.62   41.867  678.917   11.854  658.942   11.758 19.97522 16.69648 
1 1 1   17    3   24 o  341.347   4.8930  314.967   9.0248  318.327   12.768  311.612   12.758  343.168   6.8855  339.527   6.9537 3.640442 9.785919 
1 1 1   17    3   25 f  386.322   5.3306  403.428   11.126  400.595   15.566  406.387   15.908  384.937   7.4836  387.706   7.5933 -2.768951 10.66128 
1 1 1   17    3   26 o  860.480   10.464  2005.65   48.654  2020.05   69.262  1991.63   68.362  863.521   14.843  857.439   14.755 6.082336 20.92896 
1 1 1   17    3   27 f  283.953   4.5866  217.848   7.0349  226.520   10.062  209.557   9.8391  289.479   6.4328  278.427   6.5397 11.05209 9.173215 
1 1 1   17    3   28 o  454.123   6.0669  557.674   14.888  562.578   21.126  552.837   20.983  456.106   8.5718  452.139   8.5881 3.966736 12.13390 
1 1 1   17    3   29 o   60.981   12.881   10.451   4.1114   10.451   4.1114   0.0000   0.0000   60.981   12.881  ?   ?       ?      ? 
1 1 1   17    3   30 o  137.939   7.2738   51.445   5.4217   51.445   5.4217   0.0000   0.0000  137.939   7.2738  ?   ?       ?      ? 
1 1 1   17    3   31 o  179.148   4.7947   86.703   4.6249   85.936   6.2680   87.619   6.8522  178.285   6.5062  180.011   7.0444 -1.726883 9.589300 
1 1 1   17    3   32 o  557.616   7.1707  841.243   21.596  828.575   30.006  854.858   31.108  553.273   10.036  561.959   10.244 -8.685181 14.34133 
1 1 1   17    3   33 o  870.335   10.623  2055.27   49.958  2063.17   70.865  2047.47   70.441  871.993   15.039  868.678   15.007 3.314636 21.24564 
1 1 1   17    3   34 o  453.614   6.1432  556.953   15.058  558.238   21.215  555.649   21.375  454.145   8.6448  453.082   8.7307 1.062714 12.28648 
1 1 1   17    3   35 o  565.845   7.2776  866.900   22.238  851.140   30.811  884.039   32.131  560.498   10.173  571.191   10.410 -10.69287 14.55519 
1 1 1   17    3   36 o  655.153   8.2404  1163.61   29.162  1186.88   41.946  1141.84   40.571  661.471   11.735  648.834   11.572 12.63702 16.48089 
1 1 1   17    3   37 o  415.949   5.8164  467.809   13.062  486.460   18.948  450.917   18.032  423.832   8.2732  408.066   8.1777 15.76608 11.63271 
1 1 1   17    3   38 o  116.086   7.1534   35.502   4.3772   48.851   6.7966   26.040   5.7219  134.228   9.3704   97.944   10.811 36.28486 14.30689 
1 1 1   17    3   39 o  222.732   6.2759  134.837   7.5346  141.216   10.466  127.973   10.856  228.249   8.4856  217.216   9.2488 11.03218 12.55170 
1 1 1   17    3   40 o  280.844   6.6389  214.262   10.064  225.676   14.215  202.793   14.249  288.384   9.1220  273.303   9.6484 15.08157 13.27789 
1 1 1   17    3   41 o  265.459   6.5556  191.576   9.3864  194.234   12.941  188.626   13.634  267.451   8.9547  263.467   9.5769 3.984070 13.11119 
1 1 1   17    3   42 o  233.911   4.8397  148.428   6.1070  158.502   8.6447  138.392   8.6285  241.866   6.6144  225.956   7.0668 15.90916 9.679372 
1 1 1   17    3   43 o  353.238   5.3541  338.223   10.214  352.453   14.713  324.982   14.192  360.406   7.5545  346.069   7.5892 14.33704 10.70827 
1 1 1   17    3   44 o  260.396   4.8861  184.015   6.8726  185.345   9.6089  182.622   9.8335  261.376   6.8033  259.415   7.0150 1.960815 9.772130 
1 1 1   17    3   45 o  383.863   5.6202  400.544   11.657  407.681   16.551  393.518   16.421  387.268   7.9088  380.459   7.9874 6.809235 11.24047 
1 1 1   17    3   46 o   56.373   11.376   9.0768   3.6413   9.7192   4.9667   8.3302   5.3543   58.208   15.510   54.538   16.646 3.669777 22.75209 
1 1 1   17    3   47 o  263.537   6.1425  182.463   7.9886  173.001   9.4178  206.734   15.084  252.272   6.9086  274.802   10.158 -22.52954 12.28493 
1 1 1   17    3   48 o  143.555   8.4699   56.477   6.5494   62.950   9.6591   50.968   8.9105  151.161   11.825  135.949   12.129 15.21303 16.93985 
1 1 1   17    3   49 f  100.190   12.139   29.315   6.2819   22.568   9.0181   35.676   8.7556   87.264   19.603  113.117   14.324 -25.85338 24.27899 
1 1 1   17    3   50 o   83.740   11.913   22.026   4.9077   15.538   8.5490   25.215   5.9938   72.040   20.800   95.440   11.622 -23.40010 23.82696 
1 1 1   17    3   51 f  100.720   7.5999   27.945   4.1283   26.712   5.6285   29.380   6.0734   98.356   10.590  103.084   10.903 -4.728271 15.19974 
1 1 1   17    3   52 o  153.253   5.8177   64.383   4.8026   64.080   6.5317   64.741   7.0859  152.948   7.9030  153.559   8.5395 -0.6114502 11.63534 
1 1 1   17    3   53 o  137.213   6.1267   51.743   4.5333   47.383   6.3245   56.350   6.5013  131.199   8.9209  143.226   8.4003 -12.02647 12.25340 
1 1 1   17    3   54 o   75.192   10.369   16.645   4.0995   19.696   5.6985   13.372   5.9021   83.637   12.609   66.748   16.466 16.88957 20.73880 
1 1 1   17    3   55 o   64.965   11.634   12.751   4.0880   12.492   5.7371   13.017   5.8265   64.298   16.446   65.631   16.459 -1.332443 23.26732 
1 1 1   17    3   56 o  222.238   5.2583  135.642   6.3138  135.628   8.8554  135.657   9.0045  222.256   7.3734  222.219   7.4988 0.3755188E-01 10.51660 
1 1 1   17    3   57 o  130.283   6.9489   47.397   4.8763   52.369   6.9752   42.643   6.8195  137.141   9.4125  123.424   10.225 13.71769 13.89773 
1 1 1   17    3   58 o  221.550   5.5108  135.630   6.5967  138.035   9.3387  133.236   9.3195  223.548   7.7308  219.551   7.8554 3.997864 11.02151 
1 1 1   17    3   59 o   95.628   9.9295   26.889   5.1297   26.553   7.3001   27.217   7.2098   94.933   14.231   96.323   13.852 -1.389725 19.85909 
1 1 1   17    3   61 o   41.969   12.205  -1.0099   5.2004   9.8847   7.6508 -10.3662   7.0901   55.118   19.961   28.820   14.049 26.29822 24.40912 
1 1 1   17    3   62 o   82.541   12.389   22.265   5.3606   19.585   7.5924   24.930   7.5698   76.579   18.545   88.504   16.433 -11.92507 24.77838 
1 1 1   17    3   63 o   41.305   12.289   0.7340   5.1979   8.5669   7.4064  -6.8685   7.2967   51.170   19.427   31.440   15.057 19.73058 24.57846 
1 1 1   17    4    0 o  318.503   4.6918  274.215   8.0725  275.611   11.577  272.894   11.262  319.289   6.7099  317.716   6.5598 1.573456 9.383687 
1 1 1   17    4    1 o  146.463   5.3993   57.981   4.2732   0.0000   0.0000   57.981   4.2732  ?   ?   146.463   5.3993      ?      ? 
1 1 1   17    4    2 o  327.663   4.7557  290.139   8.4162  293.734   12.124  286.795   11.692  329.619   6.8067  325.707   6.6434 3.911835 9.511379 
1 1 1   17    4    3 o  182.550   3.9223   90.155   3.8649   87.927   5.5536   92.248   5.3821  180.359   5.6983  184.742   5.3914 -4.383392 7.844617 
1 1 1   17    4    5 o  238.221   5.7524  153.394   7.4049   0.0000   0.0000  153.394   7.4049  ?   ?   238.221   5.7524      ?      ? 
1 1 1   17    4    7 o  418.414   7.9664  473.395   18.012   0.0000   0.0000  473.395   18.012  ?   ?   418.414   7.9664      ?      ? 
1 1 1   17    4    8 o  558.003   8.7641  836.244   24.623  824.892   29.731  861.036   43.935  552.208   9.9635  563.798   14.421 -11.58972 17.52829 
1 1 1   17    4    9 o  659.896   11.568  1178.38   41.250   0.0000   0.0000  1178.38   41.250  ?   ?   659.896   11.568      ?      ? 
1 1 1   17    4   10 o  584.280   9.1154  930.122   27.172  905.405   46.597  942.857   33.448  578.180   14.914  590.381   10.485 -12.20087 18.23089 
1 1 1   17    4   11 f  183.382   3.9218   91.001   3.8810   86.104   5.5149   95.804   5.4625  178.488   5.7180  188.277   5.3691 -9.789429 7.843681 
1 1 1   17    4   12 o  409.129   5.5996  452.260   12.370  459.327   17.906  445.809   17.109  412.180   8.0394  406.078   7.7969 6.102112 11.19925 
1 1 1   17    4   13 o  545.890   9.8212  805.911   28.971   0.0000   0.0000  805.911   28.971  ?   ?   545.890   9.8212      ?      ? 
1 1 1   17    4   14 o  586.527   10.522  920.436   33.096  1020.27   50.762  846.622   43.648  613.829   15.304  559.226   14.444 54.60352 21.04388 
1 1 1   17    4   15 f  524.236   9.6665  743.137   27.383   0.0000   0.0000  743.137   27.383  ?   ?   524.236   9.6665      ?      ? 
1 1 1   17    4   17 o  324.734   9.9898  285.135   17.530   0.0000   0.0000  285.135   17.530  ?   ?   324.734   9.9898      ?      ? 
1 1 1   17    4   20 o  1232.03   20.998  4116.88  139.792   0.0000   0.0000  4116.88  139.792  ?   ?   1232.03   20.998      ?      ? 
1 1 1   17    4   21 o  423.753   8.5521  485.470   19.583   0.0000   0.0000  485.470   19.583  ?   ?   423.753   8.5521      ?      ? 
1 1 1   17    4   24 o  159.945   5.4881   69.141   4.7433   0.0000   0.0000   69.141   4.7433  ?   ?   159.945   5.4881      ?      ? 
1 1 1   17    4   25 o  159.210   4.0242   68.658   3.4547   72.368   4.8260   64.759   4.9475  163.633   5.4580  154.786   5.9151 8.846603 8.048498 
1 1 1   17    4   26 o  670.652   8.3350  1217.25   30.205  1214.42   42.573  1220.12   42.861  669.869   11.761  671.435   11.813 -1.566223 16.66994 
1 1 1   17    4   27 o  694.312   8.6055  1304.77   32.286  1305.26   45.604  1304.27   45.715  694.445   12.153  694.179   12.187 0.2658081 17.21101 
1 1 1   17    4   28 o  538.979   6.9409  785.404   20.205  772.497   28.046  799.331   29.133  534.385   9.7125  543.573   9.9184 -9.187866 13.88186 
1 1 1   17    4   29 o  651.476   8.1548  1148.75   28.706  1143.54   40.333  1154.11   40.865  649.982   11.483  652.970   11.582 -2.987793 16.30953 
1 1 1   17    4   30 o  589.537   7.5165  940.465   23.944  946.476   34.069  934.598   33.658  591.395   10.661  587.678   10.599 3.717102 15.03290 
1 1 1   17    4   31 o  391.783   5.5739  415.141   11.800  421.135   16.736  409.215   16.639  394.596   7.8487  388.969   7.9165 5.627869 11.14781 
1 1 1   17    4   32 o  979.658   11.880  2605.59   62.875  2638.50   89.991  2574.20   87.884  985.672   16.896  973.643   16.704 12.02905 23.75911 
1 1 1   17    4   33 o  579.848   7.4154  908.827   23.208  942.720   33.834  878.713   31.893  590.024   10.612  569.672   10.360 20.35199 14.83088 
1 1 1   17    4   34 f  461.459   6.2385  576.362   15.555  585.010   22.179  567.992   21.820  464.864   8.8295  458.054   8.8156 6.810089 12.47698 
1 1 1   17    4   35 f  438.555   6.0282  520.617   14.285  527.814   20.314  513.578   20.092  441.554   8.5137  435.556   8.5366 5.997742 12.05639 
1 1 1   17    4   36 o  686.877   10.464  1285.06   36.878  1276.80   62.807  1289.40   45.558  684.481   16.981  689.273   12.232 -4.792053 20.92752 
1 1 1   17    4   37 o  458.588   8.6148  571.117   21.346  582.207   30.421  560.360   29.959  462.978   12.160  454.199   12.207 8.778778 17.22962 
1 1 1   17    4   38 o  222.760   6.2121  134.414   7.4558  133.378   10.145  135.631   10.995  221.854   8.4622  223.667   9.0969 -1.813538 12.42428 
1 1 1   17    4   39 o  148.636   6.2757   58.785   4.8155   56.268   5.9270   63.671   8.2599  144.117   7.6108  153.155   9.9806 -9.038300 12.55138 
1 1 1   17    4   40 o  116.751   6.3980   36.923   4.0195   36.244   5.4194   37.753   5.9926  115.582   8.6770  117.921   9.4045 -2.338867 12.79592 
1 1 1   17    4   41 o   84.586   8.6830   20.380   3.7424   24.275   5.0799   15.757   5.5344   94.489   9.9492   74.682   14.234 19.80695 17.36604 
1 1 1   17    4   42 o  237.896   4.8726  153.550   6.2538  156.641   8.6568  150.177   9.0444  240.427   6.6632  235.365   7.1113 5.061523 9.745228 
1 1 1   17    4   43 o   68.522   10.368   13.396   3.7050   13.604   4.9722   13.136   5.5556   69.267   13.769   67.777   15.505 1.489563 20.73663 
1 1 1   17    4   44 o  145.546   5.7408   58.258   4.4600   64.032   6.0666   51.468   6.5793  153.569   7.3106  137.524   8.8535 16.04559 11.48168 
1 1 1   17    4   45 o  128.826   6.1930   45.429   4.2633   47.029   5.6838   43.371   6.4464  131.515   7.9979  126.138   9.4576 5.377426 12.38598 
1 1 1   17    4   46 o  296.233   5.0692  238.554   8.1104  242.108   11.345  234.839   11.599  298.522   7.0327  293.943   7.3028 4.578522 10.13850 
1 1 1   17    4   47 o   99.735   7.6569   27.870   4.0357   31.743   5.4482   23.162   6.0075  107.769   9.3557   91.700   12.124 16.06833 15.31372 
1 1 1   17    4   48 o   74.546   11.386   13.052   4.3806   7.9508   5.1856   25.766   8.1860   53.138   16.409   95.953   15.788 -42.81462 22.77120 
1 1 1   17    4   49 o   72.825   14.517   15.547   6.1552   20.962   8.8171   10.399   8.5968   83.921   19.769   61.728   21.266 22.19317 29.03490 
1 1 1   17    4   50 o  297.682   7.6343  244.430   12.261  247.297   17.894  241.892   16.833  299.167   11.069  296.198   10.517 2.968262 15.26852 
1 1 1   17    4   51 o  100.269   7.9511   27.590   4.2859   24.358   5.7604   31.598   6.4147   93.726   11.374  106.812   11.114 -13.08601 15.90228 
1 1 1   17    4   52 o  154.124   5.7459   65.167   4.7733   65.757   6.5409   64.494   6.9816  154.956   7.8116  153.292   8.4284 1.664444 11.49176 
1 1 1   17    4   53 o  218.030   5.1392  130.209   6.0483  133.473   8.4305  126.748   8.6821  220.925   7.0619  215.135   7.4684 5.790024 10.27848 
1 1 1   17    4   54 o  111.189   7.3866   34.428   4.4222   34.899   6.0320   33.881   6.5022  112.158   9.9527  110.219   10.917 1.939209 14.77314 
1 1 1   17    4   55 o  250.433   5.1615  172.023   6.9767  183.867   9.9985  160.785   9.7397  258.910   7.1466  241.957   7.4493 16.95293 10.32310 
1 1 1   17    4   56 o  185.179   5.5653   94.504   5.5602   99.974   7.8359   88.956   7.8910  190.697   7.6043  179.662   8.1281 11.03488 11.13066 
1 1 1   17    4   57 o  191.663   5.6804  101.108   5.8660  112.514   8.5654   91.034   8.0502  201.898   7.8510  181.427   8.2114 20.47176 11.36073 
1 1 1   17    4   58 o  112.745   8.4337   36.701   4.9988   46.487   7.1240   27.209   7.0161  128.520   10.258   96.970   13.390 31.55051 16.86744 
1 1 1   17    4   59 o  211.384   6.1275  124.667   6.9991  124.831   9.8918  124.501   9.9045  211.533   8.6539  211.235   8.6772 0.2977600 12.25494 
1 1 1   17    4   60 o  210.878   9.3931  124.497   10.704   0.0000   0.0000  124.497   10.704  ?   ?   210.878   9.3931      ?      ? 
1 1 1   17    4   61 o  179.785   6.7261   92.470   6.5320   90.841   9.3018   94.054   9.1749  178.059   9.6675  181.511   9.3543 -3.451233 13.45225 
1 1 1   17    4   62 o  127.919   8.7664   48.899   5.8431   62.723   8.2710   35.125   8.2559  147.872   10.351  107.966   14.151 39.90618 17.53282 
1 1 1   17    4   63 o   53.459   14.070   9.8742   5.4344   10.177   7.3828   9.5163   8.0284   54.054   19.603   52.863   20.188 1.191406 28.14008 
1 1 1   17    5    0 o  591.469   7.4537  945.964   23.809  963.808   34.379  929.519   33.004  596.815   10.660  586.122   10.421 10.69293 14.90734 
1 1 1   17    5    1 o  194.639   4.0972  102.396   4.2983  102.500   6.3099  102.305   5.8711  194.729   5.9966  194.550   5.5848 0.1791077 8.194403 
1 1 1   17    5    2 o  804.250   9.8278  1751.66   42.705  1730.32   59.792  1773.87   61.014  799.260   13.844  809.239   13.953 -9.979126 19.65569 
1 1 1   17    5    3 o  667.949   8.2966  1207.56   29.944  1212.14   42.619  1203.09   42.080  669.195   11.786  666.703   11.680 2.492065 16.59327 
1 1 1   17    5    4 o  595.223   7.4968  958.641   24.112  957.898   34.203  959.374   33.998  594.991   10.638  595.455   10.566 -0.4639282 14.99365 
1 1 1   17    5    5 o  600.999   7.5555  977.279   24.535  981.346   34.946  973.325   34.455  602.228   10.739  599.770   10.631 2.457397 15.11092 
1 1 1   17    5    7 o  559.601   8.7868  847.243   25.018  846.435   30.598  848.874   43.457  559.372   10.123  559.830   14.365 -0.4572754 17.57366 
1 1 1   17    5    8 o  946.007   16.165  2425.09   82.636   0.0000   0.0000  2425.09   82.636  ?   ?   946.007   16.165      ?      ? 
1 1 1   17    5    9 o  679.692   10.450  1244.44   35.702  1269.37   63.760  1233.06   43.091  684.333   17.242  675.050   11.813 9.283630 20.90075 
1 1 1   17    5   10 o  794.899   9.7252  1710.56   41.773  1710.91   59.227  1710.22   58.926  794.975   13.787  794.822   13.720 0.1525269 19.45047 
1 1 1   17    5   12 o  858.848   10.462  1997.12   48.551  2008.84   69.186  1985.76   68.149  861.320   14.865  856.376   14.727 4.944580 20.92475 
1 1 1   17    5   13 o  635.622   7.9888  1092.88   27.438  1094.98   39.018  1090.82   38.591  636.223   11.349  635.021   11.246 1.202881 15.97759 
1 1 1   17    5   14 o  958.228   14.453  2428.38   68.214  2344.89   80.573  2639.64  128.171  930.551   16.024  985.904   24.058 -55.35345 28.90612 
1 1 1   17    5   16 o  386.556   8.0172  403.924   16.747   0.0000   0.0000  403.924   16.747  ?   ?   386.556   8.0172      ?      ? 
1 1 1   17    5   18 o  463.983   9.0524  582.046   22.696   0.0000   0.0000  582.046   22.696  ?   ?   463.983   9.0524      ?      ? 
1 1 1   17    5   20 o  657.404   11.813  1169.10   41.964   0.0000   0.0000  1169.10   41.964  ?   ?   657.404   11.813      ?      ? 
1 1 1   17    5   21 o  1029.55   17.708  2871.81   98.513   0.0000   0.0000  2871.81   98.513  ?   ?   1029.55   17.708      ?      ? 
1 1 1   17    5   22 f  643.914   11.678  1121.64   40.633   0.0000   0.0000  1121.64   40.633  ?   ?   643.914   11.678      ?      ? 
1 1 1   17    5   23 o  859.487   14.988  2000.34   69.612   0.0000   0.0000  2000.34   69.612  ?   ?   859.487   14.988      ?      ? 
1 1 1   17    5   24 o  457.703   8.8472  565.330   21.830  544.144   29.676  590.315   32.227  448.402   12.247  467.005   12.771 -18.60260 17.69441 
1 1 1   17    5   25 o  260.327   6.2401  183.190   8.7780   0.0000   0.0000  183.190   8.7780  ?   ?   260.327   6.2401      ?      ? 
1 1 1   17    5   26 o  650.643   8.1503  1145.56   28.655  1140.86   40.335  1150.34   40.715  649.300   11.496  651.987   11.557 -2.686584 16.30069 
1 1 1   17    5   27 o  405.461   7.9641  444.521   17.449   0.0000   0.0000  444.521   17.449  ?   ?   405.461   7.9641      ?      ? 
1 1 1   17    5   28 o  725.684   8.9878  1425.95   35.244  1424.89   49.778  1427.02   49.908  725.415   12.699  725.954   12.722 -0.5391235 17.97550 
1 1 1   17    5   29 o  317.829   4.9820  272.394   8.5449  288.631   12.470  258.022   11.732  326.734   7.0630  308.925   7.0281 17.80917 9.963988 
1 1 1   17    5   30 o  566.896   7.2702  869.406   22.267  884.151   31.876  855.356   31.117  571.585   10.320  562.207   10.243 9.377991 14.54036 
1 1 1   17    5   31 o  706.317   8.7911  1351.31   33.547  1369.02   48.003  1334.41   46.901  710.828   12.497  701.806   12.367 9.022461 17.58218 
1 1 1   17    5   32 o  345.305   5.2370  321.946   9.7636  338.839   14.134  306.526   13.503  353.956   7.3896  336.654   7.4229 17.30151 10.47405 
1 1 1   17    5   33 o  476.761   7.7172  604.687   18.608  647.072   33.212  585.293   22.465  488.508   12.581  465.014   8.9404 23.49429 15.43444 
1 1 1   17    5   34 o  672.326   11.819  1229.99   42.933  1246.40   61.286  1214.19   60.163  676.713   16.760  667.938   16.669 8.774048 23.63772 
1 1 1   17    5   35 o  154.559   6.3807   65.203   5.2847   70.360   7.2217   59.257   7.7541  161.219   8.2897  147.899   9.7024 13.31969 12.76145 
1 1 1   17    5   36 o  442.050   8.3458  529.984   19.929  544.594   28.612  516.216   27.774  447.961   11.820  436.139   11.785 11.82184 16.69151 
1 1 1   17    5   37 o  108.560   7.4766   33.339   4.1097   36.552   5.1497   27.703   6.8201  116.163   8.2040  100.956   12.502 15.20694 14.95325 
1 1 1   17    5   38 o  598.800   7.6597  970.738   24.732  1018.35   36.446  930.094   33.672  612.318   11.015  585.283   10.647 27.03516 15.31936 
1 1 1   17    5   39 o  302.867   4.9969  248.525   8.1746  252.069   11.455  244.846   11.670  305.080   6.9483  300.653   7.1830 4.427185 9.993734 
1 1 1   17    5   40 o   58.490   11.048   9.7079   3.5449   9.8515   4.7444   9.5264   5.3335   58.869   14.901   58.112   16.315 0.7573471 22.09599 
1 1 1   17    5   41 o  165.585   5.1744   74.582   4.6107   77.751   6.3269   70.992   6.7333  169.380   6.9126  161.791   7.7016 7.589264 10.34885 
1 1 1   17    5   42 o  178.669   5.0466   86.935   4.8502   92.369   6.6953   80.933   7.0359  184.607   6.7117  172.730   7.5381 11.87660 10.09311 
1 1 1   17    5   43 o  125.394   6.1475   43.221   4.1162   47.044   5.5815   38.662   6.0949  131.614   7.8480  119.175   9.4644 12.43951 12.29493 
1 1 1   17    5   44 o  154.500   5.4393   64.854   4.5209   64.849   6.1128   64.860   6.7168  154.534   7.3202  154.466   8.0472 0.6819153E-01 10.87853 
1 1 1   17    5   45 o  134.024   6.0399   48.994   4.3270   49.604   5.7348   48.189   6.5931  135.070   7.8573  132.978   9.1753 2.092728 12.07986 
1 1 1   17    5   46 o  303.975   5.1340  251.147   8.4288  262.333   12.023  240.334   11.820  310.655   7.1619  297.295   7.3578 13.36081 10.26793 
1 1 1   17    5   47 o  184.137   5.2112   92.665   5.1626   98.075   7.1209   86.671   7.4955  189.902   6.9393  178.372   7.7765 11.53046 10.42248 
1 1 1   17    5   48 o   65.695   10.591   13.079   3.9114   18.467   5.2164   6.1595   5.9115   81.840   11.796   49.551   17.593 32.28895 21.18122 
1 1 1   17    5   49 o   74.931   13.994   16.250   6.3480   6.3784   8.8781   26.577   9.0802   54.747   21.148   95.114   18.332 -40.36724 27.98707 
1 1 1   17    5   50 o  168.620   8.5898   78.948   7.8245   76.577   11.029   81.351   11.103  166.016   12.294  171.225   12.000 -5.209061 17.17952 
1 1 1   17    5   51 o  118.986   9.0597   38.990   5.3906   41.194   9.7634   38.024   6.4653  120.632   14.978  117.340   10.197 3.291389 18.11932 
1 1 1   17    5   52 o   52.849   12.101   7.7808   3.9459   6.4270   5.2925   9.4754   5.9210   48.733   16.691   56.966   17.525 -8.232555 24.20124 
1 1 1   17    5   53 o  146.343   6.1141   58.868   4.8193   57.933   6.5347   59.983   7.1358  145.168   8.3304  147.518   8.9518 -2.349823 12.22824 
1 1 1   17    5   54 o  187.666   5.4990   96.927   5.5610   99.503   7.6509   94.041   8.0970  190.448   7.4345  184.884   8.1047 5.564484 10.99809 
1 1 1   17    5   55 o   57.544   11.372   9.8959   4.2484   16.038   5.6752   2.0667   6.4076   73.557   14.791   41.531   17.277 32.02636 22.74323 
1 1 1   17    5   56 o  139.134   6.7505   54.443   4.9898   64.909   7.0086   43.686   7.1056  153.275   8.4619  124.994   10.520 28.28165 13.50108 
1 1 1   17    5   57 o   94.913   9.3748   25.804   4.8045   24.787   6.6421   26.920   6.9580   92.970   13.221   96.856   13.295 -3.885803 18.74967 
1 1 1   17    5   58 o  223.469   5.7189  138.132   6.8757  157.315   10.046  121.224   9.4310  238.217   7.8040  208.721   8.3619 29.49562 11.43778 
1 1 1   17    5   59 o   52.196   11.056   4.0518   5.0091   17.812   6.7679 -12.6158   7.4487   75.516   16.996   28.876   14.145 46.64004 22.11182 
1 1 1   17    5   60 o  167.609   6.9724   79.727   6.2410   92.111   8.7595   66.959   8.8944  181.546   8.9290  153.671   10.711 27.87576 13.94476 
1 1 1   17    5   61 o   35.598   11.528  -2.3287   5.0428  -4.8407   7.0509   0.3016   7.2150   32.688   15.404   38.508   17.154 -5.820877 23.05544 
1 1 1   17    5   62 o   73.611   12.987   18.013   5.2010   14.352   7.1144   22.215   7.6224   64.907   19.043   82.314   17.665 -17.40707 25.97485 
1 1 1   17    6    0 o  264.781   4.5061  189.678   6.4413  181.154   9.1424  198.079   9.0766  258.866   6.5358  270.696   6.2052 -11.83020 9.012269 
1 1 1   17    6    1 o  681.929   8.4692  1258.46   31.201  1271.55   44.693  1246.02   43.578  685.378   12.068  678.481   11.886 6.896606 16.93836 
1 1 1   17    6    3 o  860.013   10.486  2002.60   48.703  2040.10   70.278  1967.94   67.556  867.731   14.988  852.296   14.668 15.43518 20.97152 
1 1 1   17    6    4 o  454.149   6.0510  557.438   14.839  565.851   21.453  549.719   20.548  457.427   8.6790  450.871   8.4340 6.556305 12.10194 
1 1 1   17    6    5 o  667.956   8.3246  1207.03   30.037  1222.02   43.144  1192.93   41.842  671.970   11.882  663.942   11.663 8.027466 16.64913 
1 1 1   17    6    6 o  371.184   10.882  372.748   21.826   0.0000   0.0000  372.748   21.826  ?   ?   371.184   10.882      ?      ? 
1 1 1   17    6    7 o  1450.49   21.420  5706.62  156.780  5645.36  189.885  5837.84  277.895  1440.85   24.388  1460.13   35.221 -19.27747 42.84057 
1 1 1   17    6    8 o  158.179   11.941   67.703   10.207   67.703   10.207   0.0000   0.0000  158.179   11.941  ?   ?       ?      ? 
1 1 1   17    6    9 o  765.404   11.663  1574.53   44.732  1621.40   80.522  1553.60   53.798  773.184   19.273  757.624   13.141 15.56018 23.32635 
1 1 1   17    6   10 o  375.461   5.3143  380.991   10.775  384.027   15.541  378.180   14.953  376.898   7.6309  374.024   7.3983 2.873413 10.62856 
1 1 1   17    6   13 o  761.737   9.3851  1569.63   38.623  1546.38   53.960  1594.06   55.306  755.960   13.210  767.515   13.335 -11.55469 18.77012 
1 1 1   17    6   14 o  581.759   6.7738  917.491   20.920  902.094   32.659  928.204   27.243  577.567   10.464  585.951   8.6042 -8.383911 13.54754 
1 1 1   17    6   15 o  1086.65   18.550  3198.91  108.923   0.0000   0.0000  3198.91  108.923  ?   ?   1086.65   18.550      ?      ? 
1 1 1   17    6   16 o  454.467   8.9186  558.383   21.902   0.0000   0.0000  558.383   21.902  ?   ?   454.467   8.9186      ?      ? 
1 1 1   17    6   17 o  607.060   15.831  997.748   51.932   0.0000   0.0000  997.748   51.932  ?   ?   607.060   15.831      ?      ? 
1 1 1   17    6   19 o  451.158   9.0215  550.332   21.994   0.0000   0.0000  550.332   21.994  ?   ?   451.158   9.0215      ?      ? 
1 1 1   17    6   20 o  1527.45   25.841  6340.89  213.283   0.0000   0.0000  6340.89  213.283  ?   ?   1527.45   25.841      ?      ? 
1 1 1   17    6   21 o  825.063   14.500  1842.71   64.646   0.0000   0.0000  1842.71   64.646  ?   ?   825.063   14.500      ?      ? 
1 1 1   17    6   22 f  802.944   14.160  1745.31   61.439   0.0000   0.0000  1745.31   61.439  ?   ?   802.944   14.160      ?      ? 
1 1 1   17    6   23 f  249.680   8.1298  168.553   10.969   0.0000   0.0000  168.553   10.969  ?   ?   249.680   8.1298      ?      ? 
1 1 1   17    6   24 o  702.431   12.474  1336.60   47.312  1373.20   68.582  1303.38   65.352  711.565   17.836  693.297   17.444 18.26868 24.94875 
1 1 1   17    6   25 o  426.940   8.2721  492.891   19.084   0.0000   0.0000  492.891   19.084  ?   ?   426.940   8.2721      ?      ? 
1 1 1   17    6   26 o  540.847   6.9729  791.015   20.374  780.852   28.451  801.711   29.189  537.286   9.7996  544.408   9.9223 -7.121094 13.94578 
1 1 1   17    6   27 f  430.103   5.8826  500.243   13.671  498.002   19.235  502.532   19.435  429.130   8.2948  431.075   8.3436 -1.944916 11.76519 
1 1 1   17    6   28 o  531.264   9.7544  763.567   28.003   0.0000   0.0000  763.567   28.003  ?   ?   531.264   9.7544      ?      ? 
1 1 1   17    6   29 o  302.909   5.8944  211.368   8.3654  327.027   18.148  180.161   9.4266  347.676   9.6596  258.143   6.7579 89.53259 11.78886 
1 1 1   17    6   30 o  560.159   10.015  850.180   30.300  834.234   42.084  867.342   43.660  554.725   14.039  565.592   14.285 -10.86664 20.02942 
1 1 1   17    6   31 o  500.864   9.1351  668.817   24.439  751.577   38.248  611.712   31.771  526.563   13.442  475.165   12.374 51.39743 18.27022 
1 1 1   17    6   32 o  558.031   10.001  844.276   30.146  861.261   43.357  828.378   41.944  563.446   14.240  552.616   14.046 10.83044 20.00198 
1 1 1   17    6   33 o  234.206   5.9946  146.932   7.5413  171.059   11.287  127.478   10.136  251.401   8.3087  217.010   8.6433 34.39066 11.98924 
1 1 1   17    6   34 o  282.644   5.6761  217.604   8.3457  221.486   10.520  211.014   13.708  286.136   6.8040  279.152   9.0873 6.983917 11.35228 
1 1 1   17    6   35 o  627.172   7.9689  1065.23   26.977  1098.21   39.275  1035.78   37.119  636.316   11.422  618.029   11.115 18.28705 15.93777 
1 1 1   17    6   36 o  290.878   4.9376  228.996   7.7563  229.057   10.786  228.931   11.161  290.927   6.8613  290.829   7.1022 0.9729004E-01 9.875131 
1 1 1   17    6   37 o  152.208   7.6741   62.746   6.3118   0.0000   0.0000   62.746   6.3118  ?   ?   152.208   7.6741      ?      ? 
1 1 1   17    6   38 o   97.745   6.9143   25.932   3.6395   25.991   4.9496   25.863   5.3701   97.884   9.3577   97.607   10.182 0.2767563 13.82866 
1 1 1   17    6   39 o   83.940   8.0074   19.424   3.5826   21.895   4.9125   16.617   5.2362   89.776   10.126   78.104   12.407 11.67188 16.01471 
1 1 1   17    6   40 o  214.718   4.8923  124.965   5.6584  138.416   8.1015  112.155   7.9064  226.027   6.6331  203.409   7.1932 22.61829 9.784686 
1 1 1   17    6   41 o  201.163   4.9237  109.797   5.3434  112.052   7.3949  107.332   7.7296  203.349   6.7298  198.978   7.1890 4.370956 9.847405 
1 1 1   17    6   42 o  148.057   5.5155   59.666   4.3960   61.822   6.0302   57.221   6.4221  150.954   7.3926  145.160   8.1873 5.793625 11.03098 
1 1 1   17    6   43 o   83.106   8.3935   18.972   3.7372   19.545   5.0160   18.256   5.6029   84.599   10.973   81.613   12.705 2.985382 16.78700 
1 1 1   17    6   44 o  172.450   5.2363   81.113   4.8578   85.738   6.6933   75.965   7.0615  177.719   6.9697  167.182   7.8166 10.53682 10.47267 
1 1 1   17    6   45 o  245.857   4.9194  164.309   6.5294  169.009   9.1284  159.385   9.3433  249.494   6.7709  242.221   7.1384 7.273544 9.838826 
1 1 1   17    6   46 o  187.299   5.1683   95.547   5.2194   97.465   7.1922   93.414   7.5863  189.334   7.0298  185.264   7.5780 4.070557 10.33651 
1 1 1   17    6   47 o   35.831   10.760   0.2178   3.6216  -0.6304   4.8748   1.2628   5.4104   33.322   14.496   38.339   15.906 -5.016918 21.52044 
1 1 1   17    6   48 f   85.605   9.0090   20.975   3.9705   24.250   5.4117   17.158   5.8432   93.918   10.663   77.291   14.524 16.62781 18.01808 
1 1 1   17    6   49 o  222.513   6.6463  137.310   7.1865  139.219   8.5164  132.590   13.393  226.010   6.9733  219.016   11.317 6.993378 13.29252 
1 1 1   17    6   50 o  105.676   12.499   32.294   6.9491   28.266   9.5734   36.779   10.103   97.615   18.832  113.736   16.438 -16.12160 24.99711 
1 1 1   17    6   51 o  158.046   9.2584   70.106   7.8342   82.500   11.275   58.536   10.894  171.975   12.132  144.117   13.988 27.85826 18.51684 
1 1 1   17    6   52 o  176.805   5.5780   85.421   5.3206   81.083   7.2765   90.404   7.7995  172.016   7.8283  181.595   7.9483 -9.579529 11.15607 
1 1 1   17    6   53 o   76.767   15.501   17.432   6.2085   0.0000   0.0000   17.432   6.2085  ?   ?    76.767   15.501      ?      ? 
1 1 1   17    6   54 o   37.629   10.763  -0.5467   3.9900   6.0498   5.4910  -7.9263   5.8078   47.677   16.952   27.581   13.267 20.09555 21.52682 
1 1 1   17    6   55 o   62.897   11.638   12.031   4.2168   16.818   5.8875   6.9884   6.0426   75.302   14.996   50.493   17.802 24.80878 23.27612 
1 1 1   17    6   56 o  161.202   6.0472   72.040   5.2586   74.302   7.3056   69.609   7.5753  163.968   8.2453  158.437   8.8482 5.530518 12.09450 
1 1 1   17    6   57 o  103.641   8.8137   30.174   4.7961   21.570   6.4036   41.166   7.2383   86.484   13.703  120.797   11.089 -34.31384 17.62741 
1 1 1   17    6   58 f  245.683   5.5673  167.722   7.3831  170.139   10.255  165.120   10.638  247.699   7.6615  243.668   8.0796 4.030807 11.13456 
1 1 1   17    6   59 o  132.819   10.664   49.893   7.6537   49.893   7.6537   0.0000   0.0000  132.819   10.664  ?   ?       ?      ? 
1 1 1   17    6   60 o   91.059   11.147   25.134   5.3517   22.579   7.1777   28.332   8.0309   85.146   16.192   96.973   15.326 -11.82687 22.29494 
1 1 1   17    6   61 o   92.913   10.781   26.842   5.2784   24.023   7.2626   29.998   7.6849   86.675   16.099   99.151   14.343 -12.47601 21.56180 
1 1 1   17    6   62 o   82.936   11.975   22.534   5.1742   21.906   7.0565   23.264   7.6096   82.036   16.490   83.835   17.369 -1.798119 23.94997 
1 1 1   17    7    0 o  235.582   5.9141  149.752   7.5092  154.302   11.091  145.901   10.204  238.873   8.5921  232.290   8.1292 6.583054 11.82829 
1 1 1   17    7    1 o  316.252   5.7877  274.229   9.6727  291.426   12.672  250.225   14.972  328.327   7.1427  304.178   9.1087 24.14914 11.57531 
1 1 1   17    7    2 o  764.151   13.331  1580.86   55.046  1580.86   55.046   0.0000   0.0000  764.151   13.331  ?   ?       ?      ? 
1 1 1   17    7    3 o  388.545   5.4864  408.193   11.516  406.630   16.452  409.694   16.126  387.813   7.8505  389.278   7.6663 -1.464996 10.97283 
1 1 1   17    7    5 o  359.439   6.6047  341.370   11.785  329.761   14.000  369.595   21.830  349.256   7.4182  369.622   10.930 -20.36664 13.20948 
1 1 1   17    7    6 o  720.834   10.980  1413.42   40.555  1426.64   50.093  1388.29   69.087  726.037   12.768  715.631   17.866 10.40668 21.95933 
1 1 1   17    7    7 f  677.032   10.531  1217.11   35.155  1300.22   65.688  1183.75   41.616  692.614   17.551  661.450   11.643 31.16418 21.06215 
1 1 1   17    7    8 o  464.487   7.8518  569.616   17.763  615.991   33.986  552.186   20.835  477.062   13.184  451.911   8.5321 25.15079 15.70362 
1 1 1   17    7    9 o  394.219   5.5470  420.169   11.814  418.846   16.874  421.440   16.545  393.608   7.9335  394.830   7.7548 -1.222321 11.09402 
1 1 1   17    7   11 o  551.252   7.1197  821.767   21.208  816.753   29.957  826.805   30.028  549.565   10.088  552.938   10.050 -3.373413 14.23949 
1 1 1   17    7   12 o  392.563   5.5639  416.558   11.801  418.116   16.849  415.059   16.533  393.282   7.9282  391.845   7.8084 1.437073 11.12775 
1 1 1   17    7   13 o  434.214   5.9590  509.714   13.981  505.908   19.800  513.498   19.745  432.596   8.4704  435.832   8.3838 -3.235870 11.91791 
1 1 1   17    7   14 o  269.073   4.8790  196.488   6.5305  193.626   11.786  197.755   7.8448  267.634   8.1498  270.512   5.3667 -2.878082 9.758100 
1 1 1   17    7   15 o  759.463   9.3551  1559.45   38.392   0.0000   0.0000  1559.45   38.392  ?   ?   759.463   9.3551      ?      ? 
1 1 1   17    7   16 o  532.497   6.9091  766.417   19.880   0.0000   0.0000  766.417   19.880  ?   ?   532.497   6.9091      ?      ? 
1 1 1   17    7   17 o  539.558   8.1582  787.019   23.786   0.0000   0.0000  787.019   23.786  ?   ?   539.558   8.1582      ?      ? 
1 1 1   17    7   18 f  428.107   11.160  495.721   25.816   0.0000   0.0000  495.721   25.816  ?   ?   428.107   11.160      ?      ? 
1 1 1   17    7   21 o  831.663   14.603  1872.61   65.627   0.0000   0.0000  1872.61   65.627  ?   ?   831.663   14.603      ?      ? 
1 1 1   17    7   24 o  290.054   6.1515  210.184   8.2943  262.162   17.598  195.339   9.4044  311.291   10.462  268.816   6.4742 42.47540 12.30310 
1 1 1   17    7   25 o  419.621   6.8741  484.708   15.290  420.045   22.987  536.023   20.478  394.020   10.796  445.221   8.5117 -51.20129 13.74821 
1 1 1   17    7   26 o  182.620   5.4338   87.248   5.2370  103.784   8.6055   77.523   6.5998  195.907   8.1290  169.332   7.2128 26.57527 10.86766 
1 1 1   17    7   27 o  295.959   6.4196  224.604   9.9924  181.464   12.536  299.775   16.548  259.016   8.9567  332.901   9.1990 -73.88553 12.83911 
1 1 1   17    7   28 o  343.609   7.2860  220.936   10.981  160.518   11.999  532.658   27.254  243.603   9.1150  443.614   11.369 -200.0115 14.57207 
1 1 1   17    7   29 o  190.003   5.9004   81.074   5.5199  151.937   10.691   55.315   6.4456  237.003   8.3476  143.003   8.3412 94.00014 11.80081 
1 1 1   17    7   30 o  1009.74   14.943  2790.06   77.586  2820.19   96.274  2734.23  131.043  1018.84   17.487  1000.65   24.235 18.19147 29.88530 
1 1 1   17    7   31 o  480.607   6.4341  624.723   16.703  613.672   23.234  636.545   24.030  476.216   9.0289  484.998   9.1691 -8.781830 12.86828 
1 1 1   17    7   32 o  253.496   6.7090  173.805   9.1901   0.0000   0.0000  173.805   9.1901  ?   ?   253.496   6.7090      ?      ? 
1 1 1   17    7   33 o  559.040   7.2590  846.513   21.923  856.521   31.431  837.032   30.593  562.244   10.345  555.835   10.186 6.409180 14.51807 
1 1 1   17    7   34 o  834.353   10.263  1891.01   46.249  1927.77   66.661  1856.90   64.219  842.119   14.649  826.587   14.378 15.53113 20.52590 
1 1 1   17    7   35 o  464.327   6.3045  583.985   15.818  588.659   22.485  579.406   22.256  466.165   8.9264  462.489   8.9055 3.675781 12.60903 
1 1 1   17    7   36 o  171.976   5.0325   80.050   4.6741   83.795   6.6625   76.420   6.5590  175.941   7.0077  168.010   7.2246 7.931366 10.06496 
1 1 1   17    7   37 o  239.157   4.8050  154.351   6.1979  167.995   9.0367  142.232   8.5166  249.110   6.7132  229.203   6.8764 19.90660 9.609958 
1 1 1   17    7   38 o  205.062   4.9028  113.878   5.4322  116.136   7.7120  111.653   7.6531  207.083   6.8918  203.041   6.9753 4.042175 9.805694 
1 1 1   17    7   39 o   60.797   9.8596   10.396   3.4840   16.817   4.9227   3.9511   4.9314   78.582   11.593   43.012   15.951 35.56995 19.71920 
1 1 1   17    7   40 o  274.706   4.9722  204.180   7.3731  217.437   10.661  192.026   10.208  283.246   6.9652  266.165   7.0976 17.08105 9.944362 
1 1 1   17    7   41 o  163.833   5.2765   72.847   4.6680   74.427   6.5283   71.194   6.6773  165.666   7.2926  162.000   7.6277 3.665741 10.55292 
1 1 1   17    7   42 o  126.913   6.0410   43.642   4.1295   38.965   5.6822   48.877   6.0117  119.707   8.7844  134.118   8.2950 -14.41106 12.08191 
1 1 1   17    7   43 o  295.789   5.0989  237.545   8.1496  239.518   11.527  235.574   11.523  297.022   7.1821  294.556   7.2396 2.466492 10.19776 
1 1 1   17    7   44 f  162.998   5.3931   72.441   4.7311   79.272   6.6565   65.468   6.7256  170.839   7.2106  155.158   8.0218 15.68172 10.78620 
1 1 1   17    7   45 o  313.414   5.2053  266.513   8.8060  283.149   12.773  251.444   12.157  322.725   7.3246  304.102   7.3980 18.62311 10.41053 
1 1 1   17    7   46 f  106.215   6.9501   30.816   3.9835   28.660   5.5101   33.177   5.7655  102.311   9.9666  110.119   9.6891 -7.808189 13.90011 
1 1 1   17    7   47 o  192.043   5.1202  100.314   5.3042  108.790   7.6209   92.350   7.3870  199.941   7.0537  184.144   7.4238 15.79744 10.24045 
1 1 1   17    7   48 o  305.082   5.1907  253.610   8.5551  261.573   12.226  245.971   11.975  309.786   7.3038  300.378   7.3777 9.408051 10.38148 
1 1 1   17    7   49 o  150.870   5.8568   62.565   4.7520   67.676   6.6115   57.104   6.8347  157.386   7.7740  144.354   8.7621 13.03203 11.71364 
1 1 1   17    7   50 o  174.623   8.9555   84.851   8.4374   80.000   11.559   90.383   12.344  169.311   12.635  179.936   12.695 -10.62450 17.91096 
1 1 1   17    7   51 o  250.833   7.9043  174.758   10.711  179.347   15.156  170.180   15.139  254.210   11.033  247.456   11.322 6.754944 15.80862 
1 1 1   17    7   52 o   94.617   11.370   23.765   5.3761   32.950   9.9035   19.927   6.4013  106.644   17.186   82.590   14.891 24.05341 22.73973 
1 1 1   17    7   53 o   34.061   10.652  -1.6636   3.9768   0.9976   5.4583  -4.6745   5.8059   37.383   15.774   30.740   14.321 6.643358 21.30494 
1 1 1   17    7   54 o  105.953   7.8120   31.409   4.4623   31.079   6.0945   31.790   6.5517  105.472   10.693  106.435   11.391 -0.9633942 15.62408 
1 1 1   17    7   55 o  228.669   5.3088  143.792   6.5547  147.870   9.1851  139.561   9.3569  232.068   7.3246  225.270   7.6867 6.797150 10.61765 
1 1 1   17    7   56 o   72.292   10.878   16.895   4.4117   25.523   5.9648   6.4747   6.5552   94.975   11.622   49.609   18.393 45.36588 21.75697 
1 1 1   17    7   57 o   95.438   9.2582   26.503   4.7162   28.682   6.3954   23.906   6.9828  100.343   11.795   90.532   14.274 9.811752 18.51644 
1 1 1   17    7   58 o  128.832   7.6894   47.853   5.2620   54.708   7.2252   40.110   7.6788  139.514   9.5840  118.150   12.027 21.36332 15.37887 
1 1 1   17    7   59 o  121.637   10.921   41.918   7.1784   41.918   7.1784   0.0000   0.0000  121.637   10.921  ?   ?       ?      ? 
1 1 1   17    7   60 o   68.374   13.005   16.346   5.1814   21.126   6.9706   10.445   7.7457   80.912   16.502   55.836   20.104 25.07631 26.00985 
1 1 1   17    7   61 o   40.415   11.937   0.6823   4.8953   7.0494   6.6236  -6.9819   7.2671   49.000   18.425   31.830   15.184 17.17027 23.87488 
1 1 1   17    7   62 o   41.765   12.617   3.0976   5.0436   3.3712   7.0568   2.8119   7.2112   42.043   17.848   41.486   17.837 0.5570374 25.23373 
1 1 1   17    8    0 o  542.177   9.8242  795.831   28.781  796.171   40.867  795.495   40.541  542.287   13.946  542.066   13.840 0.2217407 19.64836 
1 1 1   17    8    1 o  267.718   6.2630  193.882   9.0564  187.973   12.841  199.730   12.774  263.654   9.0133  271.782   8.6983 -8.127991 12.52596 
1 1 1   17    8    2 o  497.517   9.1341  669.935   24.556  665.991   34.737  673.874   34.717  496.051   12.959  498.983   12.876 -2.932648 18.26820 
1 1 1   17    8    3 o  720.344   12.565  1405.74   48.886  1430.18   70.498  1383.11   67.847  726.345   17.962  714.342   17.577 12.00281 25.13091 
1 1 1   17    8    4 o  394.785   7.6771  421.461   16.372  427.027   23.506  416.216   22.818  397.312   10.948  392.258   10.765 5.053497 15.35430 
1 1 1   17    8    5 o  413.423   11.246  462.387   25.124  462.387   25.124   0.0000   0.0000  413.423   11.246  ?   ?       ?      ? 
1 1 1   17    8    6 o  177.975   7.6479   85.631   7.3551   0.0000   0.0000   85.631   7.3551  ?   ?   177.975   7.6479      ?      ? 
1 1 1   17    8    7 o  771.980   13.559  1583.62   55.551  1783.33   89.128  1456.76   71.037  810.813   20.343  733.146   17.931 77.66614 27.11713 
1 1 1   17    8    8 o  426.784   7.0530  493.625   15.645  496.434   19.635  488.739   25.892  428.506   8.4796  425.062   11.273 3.443268 14.10603 
1 1 1   17    8    9 o  637.016   9.7123  1106.04   32.108  1127.18   40.361  1069.59   52.989  645.521   11.571  628.511   15.602 17.00989 19.42451 
1 1 1   17    8   10 o  767.168   11.588  1581.35   45.070  1558.44   54.752  1629.50   79.379  758.908   13.351  775.427   18.944 -16.51953 23.17631 
1 1 1   17    8   11 o  383.771   6.5825  392.995   13.002  381.671   15.990  415.090   22.335  375.757   7.8750  391.785   10.550 -16.02756 13.16510 
1 1 1   17    8   12 o  248.184   4.7344  165.457   6.3240  177.731   9.4742  155.594   8.4930  256.433   6.8373  239.936   6.5506 16.49675 9.468806 
1 1 1   17    8   13 o  927.423   13.805  2314.84   64.779  2285.93   78.585  2376.13  114.424  918.922   15.826  935.924   22.625 -17.00220 27.61079 
1 1 1   17    8   14 o  622.155   9.5388  1040.15   30.106  1068.24   52.921  1026.71   36.606  628.169   15.591  616.142   10.995 12.02661 19.07769 
1 1 1   17    8   15 o  569.786   8.3591  877.688   25.737   0.0000   0.0000  877.688   25.737  ?   ?   569.786   8.3591      ?      ? 
1 1 1   17    8   16 o  321.777   5.5857  279.825   9.7123   0.0000   0.0000  279.825   9.7123  ?   ?   321.777   5.5857      ?      ? 
1 1 1   17    8   17 o  572.492   10.332  886.349   31.961   0.0000   0.0000  886.349   31.961  ?   ?   572.492   10.332      ?      ? 
1 1 1   17    8   18 o  376.804   7.6818  383.811   15.641   0.0000   0.0000  383.811   15.641  ?   ?   376.804   7.6818      ?      ? 
1 1 1   17    8   20 f  674.150   11.733  1229.57   42.740   0.0000   0.0000  1229.57   42.740  ?   ?   674.150   11.733      ?      ? 
1 1 1   17    8   21 o  1023.55   17.441  2839.86   96.464   0.0000   0.0000  2839.86   96.464  ?   ?   1023.55   17.441      ?      ? 
1 1 1   17    8   22 o  668.992   11.639  1211.15   42.076   0.0000   0.0000  1211.15   42.076  ?   ?   668.992   11.639      ?      ? 
1 1 1   17    8   23 o  151.550   4.8854   62.072   4.0007   0.0000   0.0000   62.072   4.0007  ?   ?   151.550   4.8854      ?      ? 
1 1 1   17    8   24 o  555.002   9.8435  833.195   29.521   0.0000   0.0000  833.195   29.521  ?   ?   555.002   9.8435      ?      ? 
1 1 1   17    8   25 o  330.655   9.2336  295.721   16.498   0.0000   0.0000  295.721   16.498  ?   ?   330.655   9.2336      ?      ? 
1 1 1   17    8   26 o  422.924   7.0310  469.228   14.987  445.150   17.966  524.324   27.177  405.717   8.1950  440.130   11.427 -34.41287 14.06194 
1 1 1   17    8   28 o  102.425   8.3489   28.376   4.6209   0.0000   0.0000   28.376   4.6209  ?   ?   102.425   8.3489      ?      ? 
1 1 1   17    8   29 o  795.108   13.850  1714.03   59.506   0.0000   0.0000  1714.03   59.506  ?   ?   795.108   13.850      ?      ? 
1 1 1   17    8   30 o  525.055   6.8915  746.153   19.552  746.666   27.769  745.648   27.533  525.231   9.7842  524.880   9.7076 0.3507690 13.78291 
1 1 1   17    8   31 o  710.395   8.8747  1366.68   34.039  1330.03   46.977  1407.19   49.390  700.409   12.412  720.381   12.688 -19.97272 17.74943 
1 1 1   17    8   32 o  272.970   6.8151  201.565   10.052   0.0000   0.0000  201.565   10.052  ?   ?   272.970   6.8151      ?      ? 
1 1 1   17    8   33 o  489.213   6.5797  647.630   17.381  661.915   25.167  634.604   24.033  494.352   9.4212  484.075   9.1876 10.27707 13.15947 
1 1 1   17    8   34 o  306.029   7.1006  253.433   11.742   0.0000   0.0000  253.433   11.742  ?   ?   306.029   7.1006      ?      ? 
1 1 1   17    8   35 o  118.451   6.1832   37.816   3.9325   39.712   5.9621   36.356   5.2321  121.050   9.1147  115.851   8.3577 5.198814 12.36644 
1 1 1   17    8   36 o  296.258   4.9927  237.630   7.9925  238.828   11.337  236.445   11.270  297.000   7.0638  295.516   7.0575 1.484680 9.985301 
1 1 1   17    8   37 o  157.127   5.2495   66.477   4.4431   73.835   6.5673   60.266   6.0336  165.100   7.3613  149.154   7.4861 15.94580 10.49907 
1 1 1   17    8   38 o  381.264   5.6272  393.913   11.588  400.620   16.693  387.676   16.098  384.381   8.0369  378.147   7.8783 6.234344 11.25433 
1 1 1   17    8   39 o  117.821   6.3469   37.798   4.0240   36.470   5.9056   38.948   5.4979  115.854   9.4334  119.788   8.4937 -3.934647 12.69377 
1 1 1   17    8   40 o  274.083   5.0149  202.467   7.4059  221.808   10.966  186.248   10.042  286.048   7.0946  262.119   7.0897 23.92944 10.02982 
1 1 1   17    8   41 o  409.810   5.8815  455.799   13.018  469.015   18.761  443.527   18.079  415.524   8.3556  404.095   8.2796 11.42853 11.76299 
1 1 1   17    8   42 o  158.195   5.4284   67.775   4.6331   72.948   6.7541   63.178   6.3675  163.885   7.6267  152.505   7.7268 11.37996 10.85681 
1 1 1   17    8   43 o   61.204   10.946   10.805   3.6310   9.6522   5.3012   11.824   4.9835   58.168   16.243   64.241   14.677 -6.072430 21.89183 
1 1 1   17    8   44 o  152.243   5.6362   63.029   4.6339   60.053   6.4909   66.123   6.6177  148.564   8.0854  155.922   7.8543 -7.358597 11.27231 
1 1 1   17    8   45 o  217.367   5.0242  128.468   5.9007  127.665   8.2736  129.300   8.4180  216.683   7.0661  218.051   7.1444 -1.367661 10.04848 
1 1 1   17    8   46 o  143.462   5.9543   56.209   4.6060   60.755   6.5427   51.741   6.4855  149.270   8.1114  137.655   8.7189 11.61505 11.90858 
1 1 1   17    8   47 o  111.920   7.1210   34.375   4.2959   31.285   6.0122   37.598   6.1405  106.719   10.426  117.121   9.7024 -10.40228 14.24190 
1 1 1   17    8   48 o   76.113   10.127   17.053   3.9950   10.575   5.6697   23.439   5.6300   60.134   16.800   92.092   11.313 -31.95797 20.25439 
1 1 1   17    8   49 o   61.204   9.7923   9.8177   4.0302   21.332   5.7586  -1.2362   5.6423   87.618   12.163   34.789   15.350 52.82898 19.58453 
1 1 1   17    8   50 o  265.624   7.9780  194.591   11.383  226.802   16.808  167.297   15.472  286.048   10.874  245.201   11.677 40.84738 15.95591 
1 1 1   17    8   51 o   91.081   15.003   25.493   7.2487   23.491   10.032   27.680   10.485   87.171   21.445   94.990   20.987 -7.819160 30.00558 
1 1 1   17    8   52 o  227.158   6.8372  142.088   7.8127  144.707   13.891  140.877   9.4490  227.708   11.289  226.607   7.7165 1.100998 13.67430 
1 1 1   17    8   53 o  137.917   6.5368   52.676   4.8679   54.596   6.8515   50.718   6.9174  140.535   9.0222  135.300   9.4615 5.235245 13.07364 
1 1 1   17    8   54 o  283.472   5.3710  220.884   8.2241  228.062   11.642  213.734   11.619  288.144   7.4771  278.799   7.7126 9.344025 10.74200 
1 1 1   17    8   55 o   51.731   12.653   7.5986   4.3431   8.8252   5.9315   6.1810   6.3767   54.521   17.645   48.941   18.141 5.579845 25.30689 
1 1 1   17    8   56 o  165.468   6.3086   75.932   5.6346   73.511   7.7515   78.645   8.2049  162.730   8.8152  168.207   9.0270 -5.476791 12.61721 
1 1 1   17    8   57 o   41.060   12.120   2.2167   4.5573   4.1554   6.1696  -0.1115   6.7609   43.788   17.414   38.332   16.862 5.456001 24.24002 
1 1 1   17    8   58 f  217.618   5.9621  132.390   6.9722  144.714   9.7237  119.350   10.003  228.493   7.8754  206.743   8.9535 21.75006 11.92422 
1 1 1   17    8   59 o  175.084   6.6215   85.990   6.2272   85.473   8.3572   86.635   9.3372  174.847   8.8454  175.321   9.8559 -0.4735413 13.24306 
1 1 1   17    8   60 o   60.866   12.831   12.620   5.1526   19.582   7.0858   4.8067   7.5062   76.486   17.521   45.246   18.750 31.24037 25.66217 
1 1 1   17    8   61 o   71.702   11.421   16.256   5.0075   4.9234   6.8690   29.110   7.3155   45.108   18.224   98.296   13.773 -53.18753 22.84272 
1 1 1   17    9    0 o  286.902   4.8863  222.580   7.5724  216.234   10.738  228.859   10.681  282.830   7.0259  290.974   6.7928 -8.144165 9.772671 
1 1 1   17    9    2 o  284.769   4.8600  218.367   7.4564  229.608   11.072  209.038   10.087  291.447   7.0303  278.091   6.7123 13.35556 9.720078 
1 1 1   17    9    4 o  923.043   22.611  2313.06  112.781   0.0000   0.0000  2313.06  112.781  ?   ?   923.043   22.611      ?      ? 
1 1 1   17    9    5 o  946.261   14.128  2409.45   67.389  2479.73  119.938  2377.03   81.463  955.663   23.225  936.860   16.092 18.80280 28.25523 
1 1 1   17    9    6 o  702.350   12.397  1334.61   47.048   0.0000   0.0000  1334.61   47.048  ?   ?   702.350   12.397      ?      ? 
1 1 1   17    9    7 o  207.986   5.8859  116.879   6.6064  118.176   9.6161  115.721   9.0916  209.074   8.5116  206.897   8.1320 2.177460 11.77186 
1 1 1   17    9    8 o  427.521   8.1049  494.346   18.723  489.865   26.409  498.874   26.548  425.573   11.484  429.470   11.440 -3.897247 16.20970 
1 1 1   17    9    9 o  641.511   11.310  1106.55   39.006  1043.47   52.078  1187.16   58.870  620.864   15.523  662.157   16.453 -41.29279 22.61981 
1 1 1   17    9   10 o  444.250   8.3254  533.281   19.973  519.594   27.657  548.198   28.875  438.302   11.678  450.197   11.869 -11.89474 16.65073 
1 1 1   17    9   11 f  281.782   6.2634  214.672   9.5364  213.198   13.534  216.126   13.439  280.820   8.9189  282.744   8.7962 -1.924164 12.52681 
1 1 1   17    9   12 o  864.586   14.844  2024.28   69.278  1972.52   95.417  2081.98  100.748  852.956   20.702  876.217   21.278 -23.26080 29.68719 
1 1 1   17    9   13 o  274.643   6.1429  202.177   9.0758  184.910   12.162  223.874   13.633  261.526   8.6063  287.760   8.7677 -26.23459 12.28578 
1 1 1   17    9   14 o  1215.09   20.648  4007.28  135.255  4177.93  199.684  3862.61  183.855  1238.73   29.832  1191.45   28.557 47.27844 41.29675 
1 1 1   17    9   15 o  513.111   9.3765  711.893   25.998   0.0000   0.0000  711.893   25.998  ?   ?   513.111   9.3765      ?      ? 
1 1 1   17    9   16 o  834.548   14.348  1885.17   64.703   0.0000   0.0000  1885.17   64.703  ?   ?   834.548   14.348      ?      ? 
1 1 1   17    9   17 o  388.177   8.3382  407.368   17.490   0.0000   0.0000  407.368   17.490  ?   ?   388.177   8.3382      ?      ? 
1 1 1   17    9   18 o  687.431   9.9426  1277.96   36.933   0.0000   0.0000  1277.96   36.933  ?   ?   687.431   9.9426      ?      ? 
1 1 1   17    9   19 o  824.369   14.407  1839.97   64.177   0.0000   0.0000  1839.97   64.177  ?   ?   824.369   14.407      ?      ? 
1 1 1   17    9   20 o  930.470   15.880  2345.72   79.845   0.0000   0.0000  2345.72   79.845  ?   ?   930.470   15.880      ?      ? 
1 1 1   17    9   21 o  129.451   6.7187   45.301   4.6998   0.0000   0.0000   45.301   4.6998  ?   ?   129.451   6.7187      ?      ? 
1 1 1   17    9   22 o  215.258   4.7028  125.225   5.4702   0.0000   0.0000  125.225   5.4702  ?   ?   215.258   4.7028      ?      ? 
1 1 1   17    9   23 o  112.346   7.5704   34.125   4.5959   0.0000   0.0000   34.125   4.5959  ?   ?   112.346   7.5704      ?      ? 
1 1 1   17    9   24 o  463.683   7.3502  586.088   14.577  574.549   32.882  588.911   16.262  460.622   13.211  466.744   6.4479 -6.122498 14.70031 
1 1 1   17    9   25 o  688.752   10.714  1270.81   36.811  1324.55   66.990  1247.56   44.059  698.659   17.744  678.844   12.011 19.81494 21.42706 
1 1 1   17    9   26 o  796.307   9.8257  1715.66   42.235  1762.58   61.437  1673.62   58.158  806.586   14.096  786.028   13.693 20.55774 19.65134 
1 1 1   17    9   27 o  249.600   6.7889  168.448   9.1565   0.0000   0.0000  168.448   9.1565  ?   ?   249.600   6.7889      ?      ? 
1 1 1   17    9   28 o  533.221   9.8622  769.550   28.416   0.0000   0.0000  769.550   28.416  ?   ?   533.221   9.8622      ?      ? 
1 1 1   17    9   29 o  296.798   5.1170  238.272   8.1994  237.224   11.832  239.241   11.373  296.164   7.3936  297.433   7.0759 -1.268646 10.23395 
1 1 1   17    9   30 o  397.552   8.2107  427.650   17.639  427.650   17.639   0.0000   0.0000  397.552   8.2107  ?   ?       ?      ? 
1 1 1   17    9   31 o  227.409   6.6323  139.884   8.1500   0.0000   0.0000  139.884   8.1500  ?   ?   227.409   6.6323      ?      ? 
1 1 1   17    9   32 o  245.717   6.7678  163.333   8.9860   0.0000   0.0000  163.333   8.9860  ?   ?   245.717   6.7678      ?      ? 
1 1 1   17    9   33 o  674.890   11.996  1235.99   43.750   0.0000   0.0000  1235.99   43.750  ?   ?   674.890   11.996      ?      ? 
1 1 1   17    9   34 o  193.317   5.0923  101.392   5.2767   99.242   7.9392  103.093   7.0622  191.452   7.6741  195.181   6.6960 -3.728607 10.18469 
1 1 1   17    9   35 o  281.683   6.9191  214.802   10.532   0.0000   0.0000  214.802   10.532  ?   ?   281.683   6.9191      ?      ? 
1 1 1   17    9   36 o  157.165   5.3941   66.463   4.5488   70.584   6.9323   63.346   6.0280  161.397   7.9486  152.933   7.2943 8.463791 10.78829 
1 1 1   17    9   37 o  222.827   4.9324  134.452   5.9296  135.250   8.6448  133.742   8.1485  223.436   7.1600  222.217   6.7859 1.218185 9.864858 
1 1 1   17    9   38 o  206.088   4.9938  114.333   5.5213  121.352   8.4193  109.036   7.3135  211.572   7.3643  200.603   6.7468 10.96919 9.987607 
1 1 1   17    9   39 o  255.208   5.0122  176.607   6.9059  174.911   9.9531  178.182   9.5899  254.006   7.2515  256.409   6.9214 -2.402878 10.02442 
1 1 1   17    9   40 o  142.297   5.8375   54.259   4.4578   61.680   6.8006   48.668   5.9029  150.708   8.3507  133.887   8.1590 16.82057 11.67493 
1 1 1   17    9   41 o  280.323   5.0641  213.290   7.6695  208.820   10.859  217.739   10.834  277.378   7.2447  283.268   7.0778 -5.890289 10.12821 
1 1 1   17    9   42 o   90.428   7.9973   22.291   3.8658   22.849   5.9484   21.883   5.0864   91.330   12.053   89.526   10.514 1.804237 15.99456 
1 1 1   17    9   43 o  274.624   5.0443  204.768   7.4826  207.248   10.759  202.445   10.414  276.219   7.2079  273.029   7.0586 3.189819 10.08852 
1 1 1   17    9   44 o  125.114   6.3665   42.821   4.2878   41.127   6.2679   44.311   5.8785  122.720   9.4518  127.508   8.5318 -4.787865 12.73298 
1 1 1   17    9   45 o  181.986   5.3441   90.036   5.2487   92.891   7.6581   87.507   7.2080  184.681   7.6738  179.292   7.4399 5.388824 10.68828 
1 1 1   17    9   46 o  154.018   5.8481   64.995   4.8471   60.238   6.9943   69.391   6.7234  148.489   8.7169  159.547   7.7985 -11.05817 11.69618 
1 1 1   17    9   47 o  205.846   7.1236  115.463   7.9237   0.0000   0.0000  115.463   7.9237  ?   ?   205.846   7.1236      ?      ? 
1 1 1   17    9   48 o   54.902   11.826   8.6527   3.9711   5.4638   5.8738   11.337   5.3894   47.645   17.454   62.159   15.962 -14.51353 23.65247 
1 1 1   17    9   49 o   68.835   11.119   14.070   4.0664   11.499   5.8533   16.469   5.6533   62.332   16.937   75.337   14.412 -13.00499 22.23869 
1 1 1   17    9   50 o  202.321   8.5450  114.537   9.2694  131.892   13.214   97.725   13.006  217.895   11.223  186.747   12.888 31.14818 17.09002 
1 1 1   17    9   51 o  359.435   8.6917  361.129   16.860  385.360   24.524  339.414   23.216  370.898   12.237  347.973   12.347 22.92438 17.38336 
1 1 1   17    9   52 o   59.444   14.339   9.2725   5.1614   13.741   9.4822   7.3911   6.1527   67.149   22.340   51.738   17.981 15.41107 28.67770 
1 1 1   17    9   53 o  169.145   5.9280   78.903   5.4173   80.924   7.7090   76.932   7.6143  171.307   8.3279  166.982   8.4387 4.324463 11.85600 
1 1 1   17    9   54 o  224.051   5.5083  137.986   6.6657  143.542   9.5877  132.788   9.2736  228.424   7.7675  219.677   7.8123 8.746490 11.01663 
1 1 1   17    9   55 o  172.831   6.0543   82.740   5.6479   77.596   7.9051   88.105   8.0722  167.251   8.7469  178.411   8.3730 -11.16003 12.10851 
1 1 1   17    9   56 o   42.586   12.367   2.9599   4.5622   3.0427   6.4448   2.8766   6.4592   42.713   17.503   42.459   17.475 0.2536926 24.73351 
1 1 1   17    9   57 f   71.184   12.445   16.241   4.9232   21.678   6.9590   10.794   6.9660   83.984   15.917   58.384   19.135 25.60030 24.88953 
1 1 1   17    9   58 o   72.453   12.064   15.195   5.2114   5.9610   6.9028   27.435   7.9470   48.601   18.682   96.305   15.271 -47.70442 24.12900 
1 1 1   17    9   59 o  138.901   7.7198   55.706   5.7760   55.124   7.8514   56.393   8.5275  138.455   10.494  139.348   11.325 -0.8929901 15.43966 
1 1 1   17    9   60 o   43.956   19.406   1.4725   9.0313   1.4725   9.0313   0.0000   0.0000   43.956   19.406  ?   ?       ?      ? 
1 1 1   17    9   61 o  170.042   8.7908   86.752   8.0256   98.266   11.461   75.676   11.242  182.157   11.644  157.928   13.173 24.22917 17.58157 
1 1 1   17   10    0 o  224.046   4.8822  135.629   5.8956  136.379   8.6635  134.983   8.0461  224.619   7.1377  223.474   6.6630 1.145798 9.764319 
1 1 1   17   10    1 o  252.605   4.8876  171.533   6.6458  182.880   9.9427  162.370   8.9350  260.112   7.0739  245.097   6.7464 15.01512 9.775126 
1 1 1   17   10    3 o  439.881   7.6741  519.185   16.958  512.276   20.437  534.459   30.387  435.297   8.6885  444.465   12.652 -9.167633 15.34820 
1 1 1   17   10    5 o  734.530   11.250  1479.44   42.748  1393.69   70.541  1529.20   53.740  717.265   18.200  751.795   13.228 -34.52930 22.49966 
1 1 1   17   10    6 o  423.209   6.0726  484.264   13.882  481.523   19.881  486.871   19.392  422.037   8.7177  424.382   8.4562 -2.344971 12.14520 
1 1 1   17   10    7 o  920.307   11.234  2290.53   55.826  2235.72   77.180  2350.67   80.847  908.791   15.716  931.823   16.056 -23.03210 22.46795 
1 1 1   17   10    8 o  672.921   12.042  1224.83   43.786   0.0000   0.0000  1224.83   43.786  ?   ?   672.921   12.042      ?      ? 
1 1 1   17   10    9 o  468.546   6.4759  593.557   16.395  586.171   23.171  600.963   23.202  465.625   9.2092  471.466   9.1071 -5.841675 12.95174 
1 1 1   17   10   11 o  584.159   10.760  922.893   33.964   0.0000   0.0000  922.893   33.964  ?   ?   584.159   10.760      ?      ? 
1 1 1   17   10   13 o  805.099   9.9502  1752.75   43.260  1712.59   59.890  1796.56   62.555  795.479   13.933  814.719   14.209 -19.23938 19.90035 
1 1 1   17   10   14 f  294.937   5.9629  235.101   9.5034   0.0000   0.0000  235.101   9.5034  ?   ?   294.937   5.9629      ?      ? 
1 1 1   17   10   15 o  452.039   7.3572  552.355   17.971   0.0000   0.0000  552.355   17.971  ?   ?   452.039   7.3572      ?      ? 
1 1 1   17   10   16 o  410.557   5.9138  455.560   13.120   0.0000   0.0000  455.560   13.120  ?   ?   410.557   5.9138      ?      ? 
1 1 1   17   10   17 o  222.695   5.9305  134.038   7.1366   0.0000   0.0000  134.038   7.1366  ?   ?   222.695   5.9305      ?      ? 
1 1 1   17   10   18 o  677.048   8.5481  1239.46   31.274   0.0000   0.0000  1239.46   31.274  ?   ?   677.048   8.5481      ?      ? 
1 1 1   17   10   19 o  777.691   11.057  1636.40   46.467   0.0000   0.0000  1636.40   46.467  ?   ?   777.691   11.057      ?      ? 
1 1 1   17   10   20 o  604.292   9.0217  987.602   29.459   0.0000   0.0000  987.602   29.459  ?   ?   604.292   9.0217      ?      ? 
1 1 1   17   10   21 o  593.419   10.560  952.703   33.861   0.0000   0.0000  952.703   33.861  ?   ?   593.419   10.560      ?      ? 
1 1 1   17   10   22 o  361.984   5.7285  354.167   11.205   0.0000   0.0000  354.167   11.205  ?   ?   361.984   5.7285      ?      ? 
1 1 1   17   10   23 o  648.333   9.4112  1137.02   32.971   0.0000   0.0000  1137.02   32.971  ?   ?   648.333   9.4112      ?      ? 
1 1 1   17   10   24 o  430.778   6.8653  501.703   15.981   0.0000   0.0000  501.703   15.981  ?   ?   430.778   6.8653      ?      ? 
1 1 1   17   10   25 o  384.774   7.2810  393.130   13.719  418.243   25.914  383.352   16.171  393.038   12.202  376.511   7.9480 16.52631 14.56202 
1 1 1   17   10   26 o  131.143   6.2846   42.626   4.2394   60.497   7.5480   34.391   5.1240  149.530   9.3415  112.757   8.4096 36.77270 12.56923 
1 1 1   17   10   27 o  222.178   6.6756  133.478   8.0146   0.0000   0.0000  133.478   8.0146  ?   ?   222.178   6.6756      ?      ? 
1 1 1   17   10   28 o  620.534   11.145  1042.76   37.370   0.0000   0.0000  1042.76   37.370  ?   ?   620.534   11.145      ?      ? 
1 1 1   17   10   29 o  342.502   5.4169  317.433   10.019  303.949   14.134  331.056   14.206  335.180   7.8035  349.824   7.5150 -14.64407 10.83373 
1 1 1   17   10   30 o  121.528   6.5299   39.455   4.1740   42.279   6.8272   37.769   5.2746  124.927   10.113  118.129   8.2632 6.798645 13.05984 
1 1 1   17   10   31 o   97.906   7.8846   24.911   4.0261   30.088   6.8586   22.189   4.9730  105.318   12.052   90.495   10.170 14.82300 15.76917 
1 1 1   17   10   32 o  469.325   8.9933  596.568   22.808   0.0000   0.0000  596.568   22.808  ?   ?   469.325   8.9933      ?      ? 
1 1 1   17   10   33 o   73.019   10.310   15.591   3.7511   12.455   6.4161   17.220   4.6237   66.365   17.603   79.672   10.740 -13.30705 20.62028 
1 1 1   17   10   34 o  237.865   5.1201  153.644   6.5546  147.341   9.5919  159.165   8.9778  233.249   7.6102  242.482   6.8518 -9.232956 10.24022 
1 1 1   17   10   35 o  228.110   5.0354  139.678   6.1552  150.117   9.4536  131.995   8.1096  235.420   7.4313  220.799   6.7970 14.62166 10.07090 
1 1 1   17   10   36 o   42.770   11.547   3.4821   3.5893   3.3992   6.0752   3.5265   4.4488   44.714   17.432   40.825   15.149 3.889713 23.09453 
1 1 1   17   10   37 o  245.658   5.0370  163.958   6.6687  152.193   9.5124  175.329   9.3516  236.937   7.4297  254.379   6.8033 -17.44180 10.07397 
1 1 1   17   10   38 o  286.623   5.1370  222.937   7.9478  215.942   11.383  229.589   11.102  282.206   7.4649  291.041   7.0590 -8.835388 10.27391 
1 1 1   17   10   39 o   85.243   9.1202   20.577   3.9160   18.529   6.3451   21.837   4.9769   80.919   15.065   89.567   10.283 -8.647354 18.24033 
1 1 1   17   10   40 o  166.399   5.5333   73.805   4.9086   83.576   7.7489   67.258   6.3436  175.388   8.1763  157.411   7.4578 17.97768 11.06661 
1 1 1   17   10   41 f  174.092   7.1088   82.276   6.6875   0.0000   0.0000   82.276   6.6875  ?   ?   174.092   7.1088      ?      ? 
1 1 1   17   10   42 o  183.495   5.3102   91.517   5.2480   91.157   7.7326   91.824   7.1458  183.118   7.8146  183.873   7.1919 -0.7550964 10.62035 
1 1 1   17   10   43 o   68.258   10.625   14.008   3.8678   8.9511   6.0552   17.493   5.0271   56.667   17.770   79.849   11.651 -23.18200 21.24932 
1 1 1   17   10   44 o  219.413   5.0806  130.841   6.0136  133.029   8.7929  128.917   8.2428  221.099   7.3597  217.728   7.0061 3.371017 10.16122 
1 1 1   17   10   45 o  154.197   5.7602   65.074   4.7760   62.212   7.0166   67.545   6.5195  150.944   8.6024  157.452   7.6626 -6.507904 11.52034 
1 1 1   17   10   46 o  227.604   7.2148  141.127   8.8735   0.0000   0.0000  141.127   8.8735  ?   ?   227.604   7.2148      ?      ? 
1 1 1   17   10   47 o   71.240   10.808   14.595   4.0143   16.726   6.1104   12.976   5.3246   75.800   15.442   66.680   15.125 9.119751 21.61568 
1 1 1   17   10   48 o  163.412   5.7343   72.290   5.0358   82.487   7.5846   64.250   6.7344  173.612   8.0847  153.211   8.1343 20.40161 11.46859 
1 1 1   17   10   49 o   72.091   12.654   18.282   5.4798   24.115   6.3933   2.1302   10.638   92.817   12.747   51.365   21.863 41.45243 25.30750 
1 1 1   17   10   50 o  125.824   11.826   45.610   7.9387   45.811   10.466   45.338   12.183  126.792   15.275  124.856   18.057 1.936096 23.65177 
1 1 1   17   10   51 o  228.755   8.5350  146.905   10.524  148.626   14.440  144.955   15.369  230.512   11.593  226.998   12.530 3.514267 17.07009 
1 1 1   17   10   52 o   58.346   14.265   7.3024   5.2365   16.957   9.8409   3.4888   6.1849   73.126   22.609   43.566   17.401 29.55952 28.52987 
1 1 1   17   10   53 o  303.395   7.7220  253.105   12.660   0.0000   0.0000  253.105   12.660  ?   ?   303.395   7.7220      ?      ? 
1 1 1   17   10   54 o  246.017   5.5058  166.644   7.3150  172.301   10.569  161.442   10.135  249.997   7.8235  242.036   7.7490 7.960449 11.01151 
1 1 1   17   10   55 o  146.144   6.6889   59.589   5.2775   57.723   7.5389   61.382   7.3905  143.781   9.7033  148.508   9.2095 -4.726639 13.37787 
1 1 1   17   10   56 o   95.957   10.125   27.650   4.9560   35.613   7.1065   20.111   6.9150  111.419   11.803   80.494   16.453 30.92464 20.24927 
1 1 1   17   10   57 o  117.650   8.7140   40.258   5.4551   45.697   7.5038   34.161   7.9443  126.928   10.940  108.371   13.566 18.55677 17.42791 
1 1 1   17   10   58 o  126.690   9.6088   46.272   6.4661   50.743   10.290   43.355   8.3122  130.970   14.540  122.410   12.566 8.560196 19.21759 
1 1 1   17   10   59 o   96.410   13.340   31.996   6.7515   21.610   9.5062   42.568   9.5906   76.078   21.925  116.741   15.203 -40.66344 26.67997 
1 1 1   17   10   60 f   57.039   15.169   10.802   6.4359   8.2973   9.2599   13.142   8.9515   53.013   21.249   61.066   21.652 -8.053131 30.33737 
1 1 1   17   11    0 o  622.624   11.248  1048.42   37.844   0.0000   0.0000  1048.42   37.844  ?   ?   622.624   11.248      ?      ? 
1 1 1   17   11    1 o  700.187   8.8153  1326.09   33.350  1333.51   47.563  1318.91   46.775  702.109   12.536  698.266   12.397 3.843567 17.63057 
1 1 1   17   11    2 o  547.101   8.9069  815.093   25.001  827.245   30.965  792.342   42.370  553.105   10.361  541.096   14.491 12.00897 17.81376 
1 1 1   17   11    3 o  758.052   9.4681  1551.79   38.728  1502.86   53.071  1607.53   56.641  745.310   13.178  770.793   13.599 -25.48358 18.93624 
1 1 1   17   11    4 o  108.948   21.255   33.288   12.064   33.288   12.064   0.0000   0.0000  108.948   21.255  ?   ?       ?      ? 
1 1 1   17   11    5 o  402.412   5.9677  437.792   12.976  432.538   18.358  443.037   18.344  399.998   8.4935  404.827   8.3854 -4.828339 11.93547 
1 1 1   17   11    6 o  580.659   10.708  911.819   33.597   0.0000   0.0000  911.819   33.597  ?   ?   580.659   10.708      ?      ? 
1 1 1   17   11    7 o  260.377   5.3272  182.649   7.4801  192.744   11.017  174.016   10.188  267.027   7.6355  253.726   7.4308 13.30086 10.65446 
1 1 1   17   11    9 o  733.511   9.2166  1455.31   36.523  1432.74   50.975  1479.12   52.354  727.675   12.964  739.347   13.104 -11.67218 18.43322 
1 1 1   17   11   10 o  849.652   14.827  1954.23   68.075   0.0000   0.0000  1954.23   68.075  ?   ?   849.652   14.827      ?      ? 
1 1 1   17   11   12 o  754.641   9.4595  1539.11   38.542  1494.76   53.196  1588.11   55.919  743.224   13.246  766.058   13.509 -22.83417 18.91896 
1 1 1   17   11   13 o  930.904   13.135  2327.77   56.865  2389.64  115.470  2307.96   65.337  938.277   22.775  923.532   13.092 14.74463 26.26972 
1 1 1   17   11   14 o  486.269   9.2324  639.371   24.259   0.0000   0.0000  639.371   24.259  ?   ?   486.269   9.2324      ?      ? 
1 1 1   17   11   15 o  312.002   5.3537  263.084   9.0262   0.0000   0.0000  263.084   9.0262  ?   ?   312.002   5.3537      ?      ? 
1 1 1   17   11   16 o  278.734   5.2642  209.973   7.9288   0.0000   0.0000  209.973   7.9288  ?   ?   278.734   5.2642      ?      ? 
1 1 1   17   11   17 o  347.178   5.5494  325.774   10.411   0.0000   0.0000  325.774   10.411  ?   ?   347.178   5.5494      ?      ? 
1 1 1   17   11   18 o  239.367   5.2827  154.858   6.8329   0.0000   0.0000  154.858   6.8329  ?   ?   239.367   5.2827      ?      ? 
1 1 1   17   11   19 o  381.259   5.8940  392.898   12.143   0.0000   0.0000  392.898   12.143  ?   ?   381.259   5.8940      ?      ? 
1 1 1   17   11   20 f  242.674   5.6667  159.173   7.4310   0.0000   0.0000  159.173   7.4310  ?   ?   242.674   5.6667      ?      ? 
1 1 1   17   11   21 o  856.961   14.743  1989.66   68.272   0.0000   0.0000  1989.66   68.272  ?   ?   856.961   14.743      ?      ? 
1 1 1   17   11   22 o  496.630   9.1283  667.143   24.497   0.0000   0.0000  667.143   24.497  ?   ?   496.630   9.1283      ?      ? 
1 1 1   17   11   23 o  168.066   7.2566   76.371   6.5903   0.0000   0.0000   76.371   6.5903  ?   ?   168.066   7.2566      ?      ? 
1 1 1   17   11   24 o  235.585   7.1457  150.063   9.0966   0.0000   0.0000  150.063   9.0966  ?   ?   235.585   7.1457      ?      ? 
1 1 1   17   11   25 o  416.276   7.1932  455.364   13.054  492.342   29.403  446.286   14.569  426.284   12.764  406.269   6.6362 20.01471 14.38639 
1 1 1   17   11   26 o  560.832   9.1023  858.868   26.003  832.658   44.679  872.293   31.976  554.023   14.924  567.641   10.425 -13.61853 18.20454 
1 1 1   17   11   27 o  754.115   13.243  1541.61   53.966   0.0000   0.0000  1541.61   53.966  ?   ?   754.115   13.243      ?      ? 
1 1 1   17   11   28 o  151.636   6.1468   62.375   4.8754   61.660   7.9422   62.807   6.1760  150.903   9.7399  152.368   7.5010 -1.464737 12.29355 
1 1 1   17   11   29 o  218.519   6.8397  129.172   8.0763   0.0000   0.0000  129.172   8.0763  ?   ?   218.519   6.8397      ?      ? 
1 1 1   17   11   30 o  559.794   10.285  849.151   31.112   0.0000   0.0000  849.151   31.112  ?   ?   559.794   10.285      ?      ? 
1 1 1   17   11   31 o  237.914   5.1926  153.307   6.6099  152.281   10.062  154.086   8.7671  237.185   7.8505  238.643   6.7986 -1.457596 10.38514 
1 1 1   17   11   32 f  126.548   6.5730   41.460   4.3298   50.636   7.4227   36.727   5.3306  136.654   10.052  116.441   8.4720 20.21251 13.14599 
1 1 1   17   11   33 o  180.290   5.4557   87.731   5.2326   89.746   8.1930   86.342   6.8001  181.997   8.3309  178.583   7.0467 3.413284 10.91143 
1 1 1   17   11   34 o  172.972   5.6207   81.881   5.1206   77.230   8.0856   84.996   6.6166  168.769   8.8661  177.175   6.9111 -8.405838 11.24150 
1 1 1   17   11   35 o  295.384   5.2531  236.708   8.3622  231.900   12.213  240.952   11.473  292.523   7.7265  298.246   7.1192 -5.722992 10.50624 
1 1 1   17   11   36 o  394.869   8.1017  422.956   17.287   0.0000   0.0000  422.956   17.287  ?   ?   394.869   8.1017      ?      ? 
1 1 1   17   11   37 o  177.411   5.4452   84.579   5.1306   89.487   8.1336   81.336   6.6121  181.593   8.2888  173.229   7.0637 8.363785 10.89038 
1 1 1   17   11   38 o  242.226   7.0367  159.072   9.2104   0.0000   0.0000  159.072   9.2104  ?   ?   242.226   7.0367      ?      ? 
1 1 1   17   11   39 o  113.746   7.0284   34.228   4.2398   40.582   6.8471   30.277   5.3994  122.019   10.385  105.472   9.4737 16.54707 14.05671 
1 1 1   17   11   40 o  332.962   7.5412  301.120   13.568   0.0000   0.0000  301.120   13.568  ?   ?   332.962   7.5412      ?      ? 
1 1 1   17   11   41 o  188.620   5.4112   97.181   5.4543   93.067   8.2548  100.369   7.2665  184.968   8.2589  192.272   6.9939 -7.303650 10.82242 
1 1 1   17   11   42 o  257.311   5.1657  178.861   7.1433  189.893   10.793  170.262   9.5287  264.275   7.5580  250.346   7.0438 13.92937 10.33144 
1 1 1   17   11   43 o  382.655   8.0817  398.976   16.711   0.0000   0.0000  398.976   16.711  ?   ?   382.655   8.0817      ?      ? 
1 1 1   17   11   44 o  261.114   5.1826  185.889   7.2976  180.294   10.565  190.993   10.092  257.278   7.5996  264.951   7.0486 -7.673187 10.36523 
1 1 1   17   11   45 o  129.957   6.5843   46.334   4.5419   45.735   7.0960   46.749   5.9114  129.078   10.174  130.836   8.3613 -1.757919 13.16862 
1 1 1   17   11   46 o   64.465   11.442   12.766   4.0445   8.5084   6.4538   15.519   5.1900   55.406   18.431   73.525   13.563 -18.11928 22.88312 
1 1 1   17   11   47 o   62.685   11.799   11.139   4.0419   14.482   6.3762   8.8926   5.2262   69.974   17.025   55.395   16.341 14.57855 23.59840 
1 1 1   17   11   48 o  130.627   6.5996   46.375   4.6194   51.636   7.1169   42.544   6.0725  136.871   9.6226  124.383   9.0347 12.48750 13.19926 
1 1 1   17   11   49 o  211.897   12.663  125.743   14.499   0.0000   0.0000  125.743   14.499  ?   ?   211.897   12.663      ?      ? 
1 1 1   17   11   50 o   71.466   16.155   14.217   7.4415   6.7815   9.8178   24.257   11.408   55.781   22.035   87.150   23.630 -31.36890 32.30972 
1 1 1   17   11   51 f   64.186   15.772   8.0435   7.6028  -2.5653   9.9190   23.153   11.838   44.107   19.845   84.264   24.519 -40.15665 31.54333 
1 1 1   17   11   52 o   41.503   11.836   0.8626   4.3114   7.1041   6.7790  -3.3768   5.5870   51.624   18.775   31.383   14.417 20.24102 23.67162 
1 1 1   17   11   53 o  128.062   7.2952   45.538   5.0313   48.681   7.5014   42.969   6.7832  131.976   10.519  124.149   10.111 7.827156 14.59041 
1 1 1   17   11   54 o  162.450   6.4481   73.752   5.6247   69.117   8.2566   77.765   7.6833  157.355   9.7103  167.545   8.4865 -10.18997 12.89615 
1 1 1   17   11   55 o   34.513   11.100  -3.4176   4.5403   0.4493   6.9371  -6.3152   6.0051   39.708   17.283   29.317   13.934 10.39078 22.20011 
1 1 1   17   11   56 f  104.320   10.884   31.459   5.8746   35.856   10.075   29.194   7.2313  108.484   17.186  100.156   13.361 8.327164 21.76880 
1 1 1   17   11   57 o  149.243   9.8374   66.398   7.7093   52.973   11.372   77.815   10.487  133.386   15.777  165.100   11.755 -31.71361 19.67485 
1 1 1   17   11   58 o  143.390   9.7941   61.937   7.5149   64.775   11.532   59.842   9.9073  145.260   14.692  141.520   12.955 3.740601 19.58814 
1 1 1   17   11   59 o  199.968   7.0364  113.317   7.4630  109.621   9.6146  118.919   11.837  196.843   9.0390  203.093   10.786 -6.250092 14.07278 
1 1 1   17   11   60 o  155.183   7.2329   69.965   6.0562   65.151   8.4751   74.989   8.6572  149.441   10.495  160.924   9.9556 -11.48309 14.46589 
1 1 1   17   12    0 o  597.212   7.7696  964.425   25.068  973.323   35.904  955.961   35.015  599.895   11.076  594.530   10.899 5.364868 15.53919 
1 1 1   17   12    1 o  474.182   8.1613  613.430   19.832  625.167   24.561  591.441   33.618  480.844   9.4526  467.521   13.307 13.32361 16.32266 
1 1 1   17   12    2 o  908.563   13.743  2222.51   62.959  2196.22   76.156  2279.28  111.902  900.647   15.648  916.480   22.596 -15.83325 27.48504 
1 1 1   17   12    3 o  299.571   12.430  242.793   20.122  242.793   20.122   0.0000   0.0000  299.571   12.430  ?   ?       ?      ? 
1 1 1   17   12    4 o  870.706   13.132  2084.51   59.520  1936.94   96.421  2175.36   75.655  845.063   21.115  896.349   15.620 -51.28558 26.26449 
1 1 1   17   12    5 o  830.497   14.653  1867.01   65.758  1867.01   65.758   0.0000   0.0000  830.497   14.653  ?   ?       ?      ? 
1 1 1   17   12    6 o  511.148   7.0002  706.170   19.330  688.839   26.990  724.424   27.698  504.712   9.8962  517.584   9.9034 -12.87213 14.00044 
1 1 1   17   12    7 o  456.805   6.5386  563.897   16.135  546.146   22.532  582.580   23.116  449.429   9.2781  464.180   9.2158 -14.75131 13.07718 
1 1 1   17   12    8 o  354.361   5.7750  339.526   11.056  336.163   15.741  342.800   15.532  352.627   8.2610  356.096   8.0721 -3.469147 11.55000 
1 1 1   17   12    9 o  1317.94   22.482  4714.04  160.113   0.0000   0.0000  4714.04  160.113  ?   ?   1317.94   22.482      ?      ? 
1 1 1   17   12   10 o  309.106   7.8617  258.293   13.131   0.0000   0.0000  258.293   13.131  ?   ?   309.106   7.8617      ?      ? 
1 1 1   17   12   11 o  264.443   5.4741  188.536   7.8114  199.199   11.418  179.153   10.710  271.453   7.7838  257.434   7.6992 14.01907 10.94828 
1 1 1   17   12   12 o  492.503   6.8437  655.847   18.212  645.933   25.587  666.027   25.928  488.731   9.6887  496.276   9.6683 -7.544250 13.68747 
1 1 1   17   12   13 o  1072.90   14.822  3167.81   76.440  3027.03  144.860  3222.15   89.988  1055.04   25.409  1090.77   15.267 -35.73389 29.64331 
1 1 1   17   12   14 o  291.367   5.4794  229.445   8.6271   0.0000   0.0000  229.445   8.6271  ?   ?   291.367   5.4794      ?      ? 
1 1 1   17   12   15 o  418.580   8.9978  473.831   20.352   0.0000   0.0000  473.831   20.352  ?   ?   418.580   8.9978      ?      ? 
1 1 1   17   12   16 f  752.489   9.4412  1531.54   38.390   0.0000   0.0000  1531.54   38.390  ?   ?   752.489   9.4412      ?      ? 
1 1 1   17   12   17 o  894.082   15.640  2166.16   75.561   0.0000   0.0000  2166.16   75.561  ?   ?   894.082   15.640      ?      ? 
1 1 1   17   12   18 o  212.958   7.5256  122.613   8.6601   0.0000   0.0000  122.613   8.6601  ?   ?   212.958   7.5256      ?      ? 
1 1 1   17   12   19 o  254.836   5.4671  175.526   7.5285   0.0000   0.0000  175.526   7.5285  ?   ?   254.836   5.4671      ?      ? 
1 1 1   17   12   20 o  170.073   7.1593   78.204   6.5795   0.0000   0.0000   78.204   6.5795  ?   ?   170.073   7.1593      ?      ? 
1 1 1   17   12   21 o  383.831   6.6144  398.290   13.719   0.0000   0.0000  398.290   13.719  ?   ?   383.831   6.6144      ?      ? 
1 1 1   17   12   22 o  239.655   6.5942  155.272   8.5395   0.0000   0.0000  155.272   8.5395  ?   ?   239.655   6.5942      ?      ? 
1 1 1   17   12   23 o  420.784   6.9037  478.746   15.697   0.0000   0.0000  478.746   15.697  ?   ?   420.784   6.9037      ?      ? 
1 1 1   17   12   24 o  554.420   8.3266  831.527   24.946   0.0000   0.0000  831.527   24.946  ?   ?   554.420   8.3266      ?      ? 
1 1 1   17   12   25 o  238.422   6.9073  151.890   7.9615  158.243   15.286  149.524   9.3264  241.710   11.703  235.134   7.3403 6.576599 13.81463 
1 1 1   17   12   26 o  755.375   11.107  1516.20   37.771  1609.69   80.996  1490.22   42.698  768.927   19.493  741.824   10.652 27.10309 22.21381 
1 1 1   17   12   27 o  277.634   7.1932  208.523   10.792   0.0000   0.0000  208.523   10.792  ?   ?   277.634   7.1932      ?      ? 
1 1 1   17   12   28 o  194.450   7.0710  102.294   7.4298   0.0000   0.0000  102.294   7.4298  ?   ?   194.450   7.0710      ?      ? 
1 1 1   17   12   29 o  233.697   5.3790  148.756   6.7180  140.625   10.125  155.150   8.9791  227.923   8.2211  239.470   6.9389 -11.54669 10.75807 
1 1 1   17   12   30 f  184.421   5.7284   93.197   5.5472   87.080   8.8075   97.219   7.1416  179.295   9.0906  189.547   6.9726 -10.25169 11.45674 
1 1 1   17   12   31 o  155.439   7.2364   65.404   6.0781   0.0000   0.0000   65.404   6.0781  ?   ?   155.439   7.2364      ?      ? 
1 1 1   17   12   32 o  227.367   6.8124  139.942   8.3698   0.0000   0.0000  139.942   8.3698  ?   ?   227.367   6.8124      ?      ? 
1 1 1   17   12   33 o  202.532   6.8896  111.068   7.5401   0.0000   0.0000  111.068   7.5401  ?   ?   202.532   6.8896      ?      ? 
1 1 1   17   12   34 f  216.057   5.3309  127.528   6.1401  119.445   9.3128  133.743   8.1665  209.892   8.2110  222.222   6.8009 -12.32993 10.66173 
1 1 1   17   12   35 f  221.767   6.8558  133.260   8.2156   0.0000   0.0000  133.260   8.2156  ?   ?   221.767   6.8558      ?      ? 
1 1 1   17   12   36 o   33.188   10.235  -2.3270   3.8231 -12.2894   6.8920   2.1012   4.5949   28.513   13.888   37.864   15.037 -9.350813 20.46977 
1 1 1   17   12   37 o  360.931   7.7620  353.445   15.139   0.0000   0.0000  353.445   15.139  ?   ?   360.931   7.7620      ?      ? 
1 1 1   17   12   38 o  367.278   7.8597  366.295   15.599   0.0000   0.0000  366.295   15.599  ?   ?   367.278   7.8597      ?      ? 
1 1 1   17   12   39 o   68.990   11.238   14.196   4.0551   10.454   6.9200   16.152   5.0043   61.176   18.967   76.804   12.058 -15.62817 22.47505 
1 1 1   17   12   40 o  234.292   5.2658  148.815   6.6119  151.523   10.054  146.751   8.7767  236.090   7.8810  232.495   6.9860 3.594666 10.53164 
1 1 1   17   12   41 o  304.284   5.3845  250.782   8.8185  262.116   13.176  241.585   11.869  310.427   7.8547  298.141   7.3671 12.28522 10.76894 
1 1 1   17   12   42 o  157.397   5.9551   66.174   4.9966   75.918   7.8955   59.664   6.4532  166.807   8.7594  147.986   8.0699 18.82140 11.91012 
1 1 1   17   12   43 o   49.660   18.430   5.6357   6.5856   5.6357   6.5856   0.0000   0.0000   49.660   18.430  ?   ?       ?      ? 
1 1 1   17   12   44 o  154.846   9.3610   65.643   7.8327   65.643   7.8327   0.0000   0.0000  154.846   9.3610  ?   ?       ?      ? 
1 1 1   17   12   45 o  229.897   7.1866  144.092   8.9278   0.0000   0.0000  144.092   8.9278  ?   ?   229.897   7.1866      ?      ? 
1 1 1   17   12   46 o  182.288   5.7751   91.514   5.6159   86.708   8.5236   95.200   7.4654  177.828   8.8702  186.749   7.3978 -8.921402 11.55028 
1 1 1   17   12   47 o   71.987   10.736   13.740   4.2077   24.771   6.7902   6.8643   5.3610   93.975   13.372   49.999   16.800 43.97601 21.47177 
1 1 1   17   12   48 o   70.075   15.462   14.047   5.9196   13.135   6.8700   16.673   11.664   66.157   18.497   73.993   24.781 -7.835899 30.92304 
1 1 1   17   12   49 o   78.965   16.791   19.141   7.7170   15.516   10.105   24.212   11.953   71.063   23.034   86.868   24.437 -15.80477 33.58170 
1 1 1   17   12   50 o  284.301   8.4497  226.451   12.953  220.540   17.660  233.333   19.056  280.558   11.649  288.043   12.243 -7.485352 16.89935 
1 1 1   17   12   51 o   93.187   12.706   27.562   5.4767   22.860   10.497   29.321   6.4197   84.236   22.595  102.138   11.632 -17.90206 25.41290 
1 1 1   17   12   52 o  122.522   7.6147   41.014   4.9770   48.357   7.8392   36.055   6.4419  131.392   11.041  113.651   10.489 17.74080 15.22939 
1 1 1   17   12   53 o  121.988   7.9398   42.983   5.0770   36.344   7.7779   47.911   6.7016  112.833   12.757  131.142   9.4569 -18.30888 15.87970 
1 1 1   17   12   54 o   56.828   14.802   9.3005   5.8379   8.1081   10.139   9.8919   7.1403   56.521   22.372   57.135   19.387 -0.6146469 29.60355 
1 1 1   17   12   55 o  145.593   9.3781   62.300   7.1765   59.167   11.342   64.392   9.2677  141.144   14.871  150.042   11.431 -8.897858 18.75622 
1 1 1   17   12   56 o  266.076   7.9754  194.532   11.183  144.122   14.548  267.342   17.483  224.460   11.994  307.691   10.515 -83.23050 15.95084 
1 1 1   17   12   57 o  148.144   7.6808   62.910   6.1455   61.658   8.7670   64.119   8.6170  146.530   11.072  149.758   10.648 -3.228165 15.36162 
1 1 1   17   12   58 o  135.025   7.9060   53.394   5.7250   49.173   8.3704   57.104   7.8475  129.255   11.984  140.794   10.315 -11.53900 15.81194 
1 1 1   17   12   59 o   81.866   12.368   22.213   5.2979   22.827   7.7365   21.670   7.2701   82.645   17.846   81.087   17.129 1.558113 24.73604 
1 1 1   17   13    0 o  732.263   13.207  1450.88   52.185  1494.82   76.252  1412.16   71.573  742.637   19.001  721.890   18.348 20.74713 26.41398 
1 1 1   17   13    1 o  223.223   11.948  134.797   14.412   0.0000   0.0000  134.797   14.412  ?   ?   223.223   11.948      ?      ? 
1 1 1   17   13    2 o  489.497   8.5071  658.867   21.356  613.288   35.790  684.070   26.614  476.028   13.914  502.965   9.7923 -26.93658 17.01410 
1 1 1   17   13    3 o  819.756   12.590  1825.80   52.472  1805.63   90.965  1835.85   64.237  815.962   20.631  823.550   14.435 -7.588074 25.17920 
1 1 1   17   13    4 o  175.454   9.2266   83.236   8.7477   83.236   8.7477   0.0000   0.0000  175.454   9.2266  ?   ?       ?      ? 
1 1 1   17   13    5 o  957.406   16.643  2482.67   86.104   0.0000   0.0000  2482.67   86.104  ?   ?   957.406   16.643      ?      ? 
1 1 1   17   13    6 o  644.435   11.806  1123.46   41.111   0.0000   0.0000  1123.46   41.111  ?   ?   644.435   11.806      ?      ? 
1 1 1   17   13    7 o  299.786   7.9105  242.957   12.815   0.0000   0.0000  242.957   12.815  ?   ?   299.786   7.9105      ?      ? 
1 1 1   17   13    8 o  238.983   7.9310  154.400   10.242   0.0000   0.0000  154.400   10.242  ?   ?   238.983   7.9310      ?      ? 
1 1 1   17   13   11 o  314.308   5.7028  267.068   9.6849  262.240   13.622  272.004   13.773  311.435   8.0942  317.181   8.0357 -5.746613 11.40564 
1 1 1   17   13   12 o  580.848   7.7320  912.716   24.267  902.441   34.125  923.228   34.516  577.541   10.935  584.155   10.935 -6.613403 15.46391 
1 1 1   17   13   13 o  744.273   10.654  1507.35   37.749  1486.71   73.252  1514.82   44.048  740.305   18.311  748.241   10.894 -7.936646 21.30711 
1 1 1   17   13   14 o  430.949   6.3823  502.026   14.862   0.0000   0.0000  502.026   14.862  ?   ?   430.949   6.3823      ?      ? 
1 1 1   17   13   15 o  794.293   9.9324  1706.59   42.631   0.0000   0.0000  1706.59   42.631  ?   ?   794.293   9.9324      ?      ? 
1 1 1   17   13   16 o  481.994   6.8053  628.031   17.725   0.0000   0.0000  628.031   17.725  ?   ?   481.994   6.8053      ?      ? 
1 1 1   17   13   17 o  190.431   6.7557   98.036   6.9518   0.0000   0.0000   98.036   6.9518  ?   ?   190.431   6.7557      ?      ? 
1 1 1   17   13   18 o  398.901   6.1825  430.144   13.327   0.0000   0.0000  430.144   13.327  ?   ?   398.901   6.1825      ?      ? 
1 1 1   17   13   19 o  400.691   6.2073  434.017   13.440   0.0000   0.0000  434.017   13.440  ?   ?   400.691   6.2073      ?      ? 
1 1 1   17   13   20 o  700.905   8.9602  1328.80   33.936   0.0000   0.0000  1328.80   33.936  ?   ?   700.905   8.9602      ?      ? 
1 1 1   17   13   21 o  236.214   8.9419  150.939   11.414   0.0000   0.0000  150.939   11.414  ?   ?   236.214   8.9419      ?      ? 
1 1 1   17   13   22 f  448.945   7.5895  545.111   18.412   0.0000   0.0000  545.111   18.412  ?   ?   448.945   7.5895      ?      ? 
1 1 1   17   13   23 o  598.452   10.772  969.679   34.834   0.0000   0.0000  969.679   34.834  ?   ?   598.452   10.772      ?      ? 
1 1 1   17   13   24 o  603.124   8.9696  984.312   29.233   0.0000   0.0000  984.312   29.233  ?   ?   603.124   8.9696      ?      ? 
1 1 1   17   13   25 o  208.203   5.6639  117.205   6.3722   0.0000   0.0000  117.205   6.3722  ?   ?   208.203   5.6639      ?      ? 
1 1 1   17   13   26 o  558.684   8.7188  820.515   21.591  892.793   47.595  801.785   24.228  573.092   15.369  544.276   8.2378 28.81586 17.43755 
1 1 1   17   13   27 o  305.099   6.9272  256.934   10.684  238.288   18.408  266.405   13.120  296.445   11.492  313.754   7.7385 -17.30829 13.85435 
1 1 1   17   13   28 o  503.035   9.5974  685.523   26.088   0.0000   0.0000  685.523   26.088  ?   ?   503.035   9.5974      ?      ? 
1 1 1   17   13   29 o  160.881   7.8304   70.072   6.8073   0.0000   0.0000   70.072   6.8073  ?   ?   160.881   7.8304      ?      ? 
1 1 1   17   13   30 o  420.986   6.2246  479.845   14.151  456.809   19.719  504.306   20.320  410.566   8.8883  431.407   8.7166 -20.84140 12.44915 
1 1 1   17   13   31 o  311.675   7.3039  263.056   12.301   0.0000   0.0000  263.056   12.301  ?   ?   311.675   7.3039      ?      ? 
1 1 1   17   13   32 o  422.668   8.5085  484.317   19.433   0.0000   0.0000  484.317   19.433  ?   ?   422.668   8.5085      ?      ? 
1 1 1   17   13   33 o  549.194   10.222  819.473   30.335   0.0000   0.0000  819.473   30.335  ?   ?   549.194   10.222      ?      ? 
1 1 1   17   13   34 o  250.569   6.9338  170.144   9.3883   0.0000   0.0000  170.144   9.3883  ?   ?   250.569   6.9338      ?      ? 
1 1 1   17   13   35 o  158.101   6.0664   67.918   5.0197   67.595   8.1778   68.113   6.3585  157.705   9.5962  158.496   7.4242 -0.7906647 12.13287 
1 1 1   17   13   36 o  132.455   6.7612   47.466   4.6277   48.536   7.8184   46.889   5.7416  133.476   10.840  131.433   8.0842 2.043030 13.52248 
1 1 1   17   13   37 o   51.171   12.470   6.3496   3.9557   7.7426   7.0486   5.7092   4.7792   55.344   19.245   46.997   15.862 8.346870 24.93927 
1 1 1   17   13   38 o  238.889   5.3333  155.514   6.8300  150.660   10.237  159.409   9.1692  235.431   8.0468  242.347   7.0017 -6.915787 10.66655 
1 1 1   17   13   39 o  381.893   8.1028  396.612   16.721   0.0000   0.0000  396.612   16.721  ?   ?   381.893   8.1028      ?      ? 
1 1 1   17   13   40 o  220.114   7.1335  131.633   8.4848   0.0000   0.0000  131.633   8.4848  ?   ?   220.114   7.1335      ?      ? 
1 1 1   17   13   41 o  264.411   7.2121  190.153   10.305   0.0000   0.0000  190.153   10.305  ?   ?   264.411   7.2121      ?      ? 
1 1 1   17   13   42 o  163.634   6.0356   73.439   5.2327   71.164   8.1817   75.014   6.8067  161.307   9.3865  165.961   7.5900 -4.654465 12.07127 
1 1 1   17   13   43 o  180.761   7.3471   88.999   7.1764   0.0000   0.0000   88.999   7.1764  ?   ?   180.761   7.3471      ?      ? 
1 1 1   17   13   44 o   76.046   11.010   16.015   4.2318   20.094   7.1717   13.836   5.2416   82.977   16.575   69.115   14.497 13.86201 22.02038 
1 1 1   17   13   45 o  194.276   5.6567  102.521   5.8571  107.229   9.1518   99.255   7.6227  197.862   8.5596  190.690   7.3976 7.171371 11.31335 
1 1 1   17   13   46 o   35.932   11.206  -1.9718   4.1449   1.5066   6.8191  -4.0099   5.2198   42.228   17.714   29.636   13.728 12.59189 22.41137 
1 1 1   17   13   47 o  164.064   8.5055   70.855   6.9812   64.546   8.2692   86.509   13.026  152.859   10.011  175.269   13.753 -22.40974 17.01095 
1 1 1   17   13   48 o  154.381   10.208   67.745   8.4514   68.333   11.325   67.005   12.697  155.624   13.467  153.138   15.343 2.485718 20.41504 
1 1 1   17   13   49 o  322.017   8.5570  290.852   14.848  286.712   20.198  295.721   21.902  319.941   11.683  324.093   12.506 -4.151917 17.11407 
1 1 1   17   13   50 f  186.068   7.4305   96.866   6.8551   95.811   12.399   97.330   8.2268  184.145   12.461  187.991   8.0985 -3.846176 14.86107 
1 1 1   17   13   51 o   93.891   12.509   25.691   5.3842   27.950   10.859   24.954   6.2001   93.740   21.842   94.043   12.201 -0.3024979 25.01851 
1 1 1   17   13   52 o   60.745   15.104   9.4522   5.6916   16.423   10.743   6.7320   6.7108   71.076   23.782   50.413   18.626 20.66362 30.20768 
1 1 1   17   13   53 o   40.142   12.668  -1.3972   5.6204 -10.4572   10.533   2.2097   6.6457   38.354   18.292   41.929   17.531 -3.574863 25.33638 
1 1 1   17   13   54 o  188.995   8.2501  103.048   8.1558   99.369   13.128  105.360   10.408  184.765   13.149  193.226   9.9680 -8.461288 16.50027 
1 1 1   17   13   55 o   55.382   12.291   5.6897   5.1243   19.081   7.8657  -4.1847   6.7543   77.114   19.000   33.649   15.598 43.46431 24.58224 
1 1 1   17   13   56 o  179.315   6.7010   90.265   6.4792   92.349   9.5178   88.465   8.8452  181.053   9.7284  177.577   9.2179 3.476212 13.40195 
1 1 1   17   13   57 f   35.896   11.535  -1.7539   4.9933  -5.6070   7.6313   1.1307   6.6029   33.464   15.847   38.329   16.767 -4.864346 23.07094 
1 1 1   17   13   58 o  145.262   7.5889   60.411   5.9228   65.740   8.9792   56.306   7.8803  150.620   11.032  139.904   10.424 10.71646 15.17782 
1 1 1   17   13   59 o   73.558   13.438   18.820   5.3866   23.283   8.1925   15.421   7.1492   81.428   18.971   65.689   19.037 15.73911 26.87593 
1 1 1   17   14    0 o  753.032   13.591  1537.41   55.303  1528.15   78.284  1546.62   78.137  750.760   19.297  755.304   19.145 -4.543518 27.18237 
1 1 1   17   14    1 o  398.909   9.2269  430.488   19.859  433.108   28.931  428.153   27.309  400.040   13.384  397.778   12.705 2.261810 18.45376 
1 1 1   17   14    2 o  315.001   8.9660  268.881   15.233  250.676   21.588  286.937   21.498  304.348   13.126  325.653   12.217 -21.30508 17.93204 
1 1 1   17   14    3 o  588.853   9.6805  947.300   29.044  911.937   49.793  965.537   35.757  580.262   15.880  597.445   11.076 -17.18292 19.36101 
1 1 1   17   14    4 o  245.180   8.0715  162.521   10.694   0.0000   0.0000  162.521   10.694  ?   ?   245.180   8.0715      ?      ? 
1 1 1   17   14    7 o  214.953   8.5540  124.937   9.9358   0.0000   0.0000  124.937   9.9358  ?   ?   214.953   8.5540      ?      ? 
1 1 1   17   14    9 o  405.715   6.2349  443.441   13.640  419.470   18.562  471.579   20.110  393.845   8.7218  417.584   8.9121 -23.73862 12.46981 
1 1 1   17   14   10 o  462.465   6.7041  578.255   16.750  566.380   23.410  590.711   23.977  457.603   9.4674  467.327   9.4946 -9.724365 13.40820 
1 1 1   17   14   11 o  199.429   6.4158  107.717   6.8939  117.765   9.7876   97.825   9.7119  208.679   8.6798  190.178   9.4505 18.50140 12.83162 
1 1 1   17   14   12 o  709.621   10.873  1367.85   39.608  1353.15   67.346  1375.63   48.973  706.383   17.643  712.859   12.714 -6.476563 21.74678 
1 1 1   17   14   13 o  476.690   9.3796  614.588   24.161   0.0000   0.0000  614.588   24.161  ?   ?   476.690   9.3796      ?      ? 
1 1 1   17   14   14 o  369.539   6.1540  369.132   12.289   0.0000   0.0000  369.132   12.289  ?   ?   369.539   6.1540      ?      ? 
1 1 1   17   14   15 o  490.388   9.5523  650.517   25.313   0.0000   0.0000  650.517   25.313  ?   ?   490.388   9.5523      ?      ? 
1 1 1   17   14   16 o  466.739   6.8245  588.958   17.212   0.0000   0.0000  588.958   17.212  ?   ?   466.739   6.8245      ?      ? 
1 1 1   17   14   17 o  332.846   5.9866  299.473   10.767   0.0000   0.0000  299.473   10.767  ?   ?   332.846   5.9866      ?      ? 
1 1 1   17   14   18 o  248.513   7.1020  166.979   9.5371   0.0000   0.0000  166.979   9.5371  ?   ?   248.513   7.1020      ?      ? 
1 1 1   17   14   19 o  878.554   15.290  2093.04   72.588   0.0000   0.0000  2093.04   72.588  ?   ?   878.554   15.290      ?      ? 
1 1 1   17   14   20 o  353.884   6.6111  338.622   12.642   0.0000   0.0000  338.622   12.642  ?   ?   353.884   6.6111      ?      ? 
1 1 1   17   14   21 o  306.749   8.8916  254.594   14.738   0.0000   0.0000  254.594   14.738  ?   ?   306.749   8.8916      ?      ? 
1 1 1   17   14   22 o  399.455   9.3430  431.819   20.167   0.0000   0.0000  431.819   20.167  ?   ?   399.455   9.3430      ?      ? 
1 1 1   17   14   23 f  684.909   12.143  1271.49   44.940   0.0000   0.0000  1271.49   44.940  ?   ?   684.909   12.143      ?      ? 
1 1 1   17   14   24 o  599.756   10.847  974.756   35.154   0.0000   0.0000  974.756   35.154  ?   ?   599.756   10.847      ?      ? 
1 1 1   17   14   25 o  192.659   9.7036  100.537   10.102   0.0000   0.0000  100.537   10.102  ?   ?   192.659   9.7036      ?      ? 
1 1 1   17   14   26 o  330.253   7.0937  286.752   11.378  315.540   21.952  276.176   13.305  341.058   11.911  319.447   7.7078 21.61084 14.18748 
1 1 1   17   14   27 o  460.694   7.6227  590.919   16.519  543.919   32.057  607.909   19.275  447.463   13.258  473.925   7.5264 -26.46127 15.24544 
1 1 1   17   14   28 o  426.472   6.3044  492.525   14.520  469.862   20.296  516.289   20.783  416.413   9.0196  436.531   8.8106 -20.11749 12.60874 
1 1 1   17   14   29 o  691.025   12.399  1298.21   46.300   0.0000   0.0000  1298.21   46.300  ?   ?   691.025   12.399      ?      ? 
1 1 1   17   14   30 o  330.386   8.3185  295.821   14.851  295.821   14.851   0.0000   0.0000  330.386   8.3185  ?   ?       ?      ? 
1 1 1   17   14   31 o  305.329   7.4415  252.564   12.278   0.0000   0.0000  252.564   12.278  ?   ?   305.329   7.4415      ?      ? 
1 1 1   17   14   32 o  371.036   7.9654  373.294   15.970   0.0000   0.0000  373.294   15.970  ?   ?   371.036   7.9654      ?      ? 
1 1 1   17   14   33 o  111.060   8.2458   34.195   4.6905   31.714   7.8663   35.564   5.8429  107.716   13.515  114.404   9.4514 -6.688171 16.49160 
1 1 1   17   14   34 o  158.316   6.5902   70.234   5.3942   59.784   8.6266   76.942   6.9122  148.194   10.773  168.438   7.5944 -20.24367 13.18041 
1 1 1   17   14   35 o  232.775   6.9521  146.917   8.7447   0.0000   0.0000  146.917   8.7447  ?   ?   232.775   6.9521      ?      ? 
1 1 1   17   14   36 o  175.237   7.3008   83.345   6.9133   0.0000   0.0000   83.345   6.9133  ?   ?   175.237   7.3008      ?      ? 
1 1 1   17   14   37 o  141.979   6.8024   54.569   4.9519   56.109   8.5164   53.783   6.0865  143.293   10.999  140.665   8.0075 2.628723 13.60483 
1 1 1   17   14   38 o  153.106   7.6272   63.705   6.3102   0.0000   0.0000   63.705   6.3102  ?   ?   153.106   7.6272      ?      ? 
1 1 1   17   14   39 o  197.190   5.6607  105.729   5.9445  106.272   9.2336  105.344   7.7685  197.505   8.6517  196.875   7.3023 0.6298370 11.32147 
1 1 1   17   14   40 o  130.983   7.0609   44.972   4.8042   54.138   8.2649   40.295   5.9040  140.479   10.888  121.487   8.9936 18.99168 14.12190 
1 1 1   17   14   41 o  231.252   5.5187  146.652   6.8269  138.174   10.233  153.450   9.1644  225.032   8.4155  237.471   7.1418 -12.43941 11.03747 
1 1 1   17   14   42 o  215.075   5.6140  126.574   6.4416  123.540   9.8643  128.829   8.5055  212.650   8.5845  217.501   7.2369 -4.851196 11.22791 
1 1 1   17   14   43 o   61.952   12.658   10.565   4.3080   13.864   7.3994   8.8736   5.2987   68.408   19.221   55.497   16.475 12.91155 25.31554 
1 1 1   17   14   44 o  153.988   6.5647   65.294   5.3250   64.219   8.4965   65.989   6.8337  152.659   10.300  155.318   8.1422 -2.658981 13.12947 
1 1 1   17   14   45 f   57.243   13.098   9.1686   4.5584   10.798   7.1940   8.0755   5.8923   60.900   19.403   53.585   17.600 7.315472 26.19638 
1 1 1   17   14   46 o  165.290   10.385   78.418   9.1206   85.788   12.266   69.302   13.640  174.931   12.976  155.648   16.218 19.28268 20.77004 
1 1 1   17   14   47 o  159.363   10.488   72.925   8.8894   76.847   11.807   67.793   13.507  165.181   13.228  153.545   16.280 11.63565 20.97607 
1 1 1   17   14   48 o   69.719   16.094   14.547   7.7028   22.322   10.308   4.7185   11.591   83.927   22.337   55.511   23.177 28.41594 32.18817 
1 1 1   17   14   49 o   39.934   17.420  -0.1755   7.0819   0.0000   0.0000  -0.1755   7.0819  ?   ?    39.934   17.420      ?      ? 
1 1 1   17   14   50 f  239.858   7.7491  160.203   9.6705  163.919   16.052  158.086   12.116  240.932   12.330  238.783   9.3899 2.149414 15.49818 
1 1 1   17   14   51 o  164.548   9.6268   83.054   7.6639   63.176   13.224   93.108   9.4043  146.211   16.738  182.886   9.5161 -36.67473 19.25370 
1 1 1   17   14   52 o   87.283   11.902   24.376   5.3999   13.372   7.8602   34.212   7.4311   65.059   20.221  109.507   12.558 -44.44736 23.80355 
1 1 1   17   14   53 o  124.293   8.4395   45.848   5.4402   36.076   8.2842   53.257   7.2137  111.001   13.811  137.585   9.7029 -26.58442 16.87898 
1 1 1   17   14   54 o  100.648   9.9640   29.406   5.3954   32.550   8.1003   26.899   7.2334  105.367   14.227   95.928   13.954 9.438797 19.92804 
1 1 1   17   14   55 o   63.605   12.852   13.001   5.3066   4.0122   7.9964   20.075   7.0937   46.887   19.385   80.324   16.880 -33.43645 25.70442 
1 1 1   17   14   56 o   75.692   13.106   20.428   5.4527   14.693   8.3457   24.700   7.2025   63.547   20.950   87.837   15.753 -24.28981 26.21214 
1 1 1   17   14   57 o   45.275   13.170   4.4117   5.1300   5.3188   7.9005   3.7505   6.7456   47.388   19.395   43.162   17.822 4.226120 26.33948 
1 1 1   17   14   58 o  112.149   9.3976   38.216   5.6659   40.322   8.5272   36.550   7.5815  114.404   13.794  109.894   12.767 4.509811 18.79530 
1 1 1   17   15    0 f  489.071   8.9005  656.000   21.922  623.423   38.308  671.862   26.731  479.755   14.777  498.386   9.9257 -18.63074 17.80106 
1 1 1   17   15    1 o  183.728   17.647   91.532   17.520   91.532   17.520   0.0000   0.0000  183.728   17.647  ?   ?       ?      ? 
1 1 1   17   15    2 o  396.205   13.229  425.000   28.322   0.0000   0.0000  425.000   28.322  ?   ?   396.205   13.229      ?      ? 
1 1 1   17   15    3 o  196.299   11.617  103.023   12.234  117.117   18.711   92.500   16.168  207.857   16.659  184.742   16.196 23.11543 23.23435 
1 1 1   17   15    4 o  486.247   10.315  639.974   27.092  617.793   37.758  663.513   38.897  477.565   14.631  494.928   14.544 -17.36368 20.63020 
1 1 1   17   15    5 o  163.917   13.629   73.022   12.026   71.712   17.709   74.144   16.382  162.515   20.166  165.319   18.338 -2.803680 27.25732 
1 1 1   17   15    6 o  484.825   8.9313  637.411   21.447  633.558   39.080  639.072   25.656  483.586   14.955  486.064   9.7682 -2.478607 17.86267 
1 1 1   17   15    7 o  592.167   7.9143  948.870   25.324  947.950   35.951  949.776   35.677  591.879   11.241  592.456   11.144 -0.5772705 15.82855 
1 1 1   17   15    8 o  314.067   6.0126  265.969   10.189  283.568   14.875  250.413   13.986  323.827   8.5010  304.307   8.5052 19.51932 12.02517 
1 1 1   17   15   10 o  316.289   6.1559  270.412   10.519  277.679   15.057  263.485   14.701  320.438   8.6957  312.140   8.7157 8.297974 12.31174 
1 1 1   17   15   11 o  109.602   11.908   36.363   6.1943   58.844   8.7916   14.203   8.7288  147.465   11.033   71.740   21.106 75.72476 23.81579 
1 1 1   17   15   12 o  200.300   6.7093  109.563   7.0993  103.311   11.115  113.871   9.2263  195.399   10.527  205.200   8.3207 -9.800507 13.41850 
1 1 1   17   15   13 o  322.955   7.0480  281.993   12.300   0.0000   0.0000  281.993   12.300  ?   ?   322.955   7.0480      ?      ? 
1 1 1   17   15   14 o  684.938   8.8759  1268.91   32.851   0.0000   0.0000  1268.91   32.851  ?   ?   684.938   8.8759      ?      ? 
1 1 1   17   15   15 f  346.942   7.7181  325.484   14.470   0.0000   0.0000  325.484   14.470  ?   ?   346.942   7.7181      ?      ? 
1 1 1   17   15   16 o  874.648   15.505  2074.23   73.283   0.0000   0.0000  2074.23   73.283  ?   ?   874.648   15.505      ?      ? 
1 1 1   17   15   17 o  129.940   10.633   45.705   7.4657   0.0000   0.0000   45.705   7.4657  ?   ?   129.940   10.633      ?      ? 
1 1 1   17   15   18 o  609.527   8.1128  1004.98   26.721   0.0000   0.0000  1004.98   26.721  ?   ?   609.527   8.1128      ?      ? 
1 1 1   17   15   19 f  182.340   6.8258   89.906   6.7255   0.0000   0.0000   89.906   6.7255  ?   ?   182.340   6.8258      ?      ? 
1 1 1   17   15   20 o  231.932   6.5948  145.459   8.2652   0.0000   0.0000  145.459   8.2652  ?   ?   231.932   6.5948      ?      ? 
1 1 1   17   15   21 o  251.638   6.0454  171.222   8.2203   0.0000   0.0000  171.222   8.2203  ?   ?   251.638   6.0454      ?      ? 
1 1 1   17   15   22 o  518.353   7.2718  726.924   20.368   0.0000   0.0000  726.924   20.368  ?   ?   518.353   7.2718      ?      ? 
1 1 1   17   15   23 o  401.120   6.3610  435.185   13.788   0.0000   0.0000  435.185   13.788  ?   ?   401.120   6.3610      ?      ? 
1 1 1   17   15   24 o  581.104   10.634  915.249   33.391   0.0000   0.0000  915.249   33.391  ?   ?   581.104   10.634      ?      ? 
1 1 1   17   15   25 o  322.216   6.3470  280.854   11.051   0.0000   0.0000  280.854   11.051  ?   ?   322.216   6.3470      ?      ? 
1 1 1   17   15   26 f  445.163   8.9579  536.899   21.548   0.0000   0.0000  536.899   21.548  ?   ?   445.163   8.9579      ?      ? 
1 1 1   17   15   27 f  280.146   6.5154  216.926   8.2036  205.203   17.136  220.412   9.3440  274.877   11.537  285.416   6.0585 -10.53870 13.03079 
1 1 1   17   15   28 o  230.446   7.3907  154.267   8.4053  116.306   14.161  174.913   10.444  206.768   12.675  254.123   7.6055 -47.35522 14.78149 
1 1 1   17   15   29 o  234.150   5.9842  149.680   7.5051  138.964   11.131  158.612   10.162  226.351   9.1008  241.950   7.7729 -15.59935 11.96841 
1 1 1   17   15   30 o   80.911   10.462   13.815   4.9463   41.289   8.5616   0.0505   6.0600  123.084   12.873   38.738   16.495 84.34596 20.92339 
1 1 1   17   15   31 o   54.777   11.996   7.8334   4.6897  -2.8659   7.8958   13.665   5.8293   40.320   17.955   69.234   15.915 -28.91373 23.99257 
1 1 1   17   15   32 o   50.663   12.917   6.0770   4.5118   2.9063   7.8408   7.6466   5.5166   48.107   19.458   53.218   16.995 -5.111576 25.83461 
1 1 1   17   15   33 o   65.120   13.173   11.130   4.6380   15.153   8.2093   9.2442   5.6210   72.781   20.174   57.459   16.946 15.32235 26.34692 
1 1 1   17   15   34 o   88.207   11.145   23.075   4.7299   18.565   8.2831   25.257   5.7616   80.187   19.340   96.228   11.080 -16.04194 22.28944 
1 1 1   17   15   35 o  409.265   6.1574  455.770   13.601  451.953   19.677  459.262   18.821  407.551   8.9347  410.978   8.4751 -3.427307 12.31481 
1 1 1   17   15   36 o  149.088   6.8093   62.333   5.1881   54.806   8.5998   66.639   6.5053  141.570   11.242  156.606   7.6872 -15.03603 13.61861 
1 1 1   17   15   37 o  113.372   8.1108   34.695   4.7131   36.776   8.1655   33.655   5.7715  115.661   13.065  111.083   9.6152 4.578529 16.22166 
1 1 1   17   15   38 o  165.430   6.5260   75.871   5.6189   69.878   9.0741   79.598   7.1559  159.808   10.508  171.052   7.7419 -11.24417 13.05195 
1 1 1   17   15   39 o   96.089   11.931   25.417   6.1949   0.0000   0.0000   25.417   6.1949  ?   ?    96.089   11.931      ?      ? 
1 1 1   17   15   40 o  157.646   6.5297   67.141   5.4397   71.789   8.7729   64.238   6.9335  161.855   10.031  153.436   8.3626 8.419022 13.05934 
1 1 1   17   15   41 o   79.193   11.445   18.272   4.5076   16.997   7.9364   18.879   5.4767   75.748   19.327   82.638   12.265 -6.890732 22.88964 
1 1 1   17   15   42 o  156.330   6.5902   66.491   5.3500   69.054   8.9656   65.073   6.6672  158.339   10.479  154.322   7.9951 4.016739 13.18044 
1 1 1   17   15   43 o  162.670   6.5452   72.469   5.5980   73.444   9.0466   71.864   7.1262  163.260   10.255  162.081   8.1365 1.179459 13.09044 
1 1 1   17   15   44 o   96.237   25.156   29.369   13.228   0.0000   0.0000   29.369   13.228  ?   ?    96.237   25.156      ?      ? 
1 1 1   17   15   45 o  273.015   8.8274  208.267   12.971  206.824   17.561  210.000   19.242  272.372   11.932  273.657   13.013 -1.284210 17.65479 
1 1 1   17   15   48 o  256.479   8.2540  186.932   10.883  177.320   18.160  192.320   13.596  249.652   13.461  263.306   9.5554 -13.65327 16.50795 
1 1 1   17   15   49 o  129.107   8.3859   46.476   5.8226   52.629   8.7232   41.532   7.8195  136.766   11.803  121.449   11.915 15.31772 16.77171 
1 1 1   17   15   50 o  233.723   5.8923  151.350   7.3970  147.437   10.995  154.585   9.9981  230.638   8.8220  236.807   7.8133 -6.169235 11.78451 
1 1 1   17   15   51 o   40.314   12.315   0.1427   4.8237   3.0596   7.7065  -1.7362   6.1852   45.546   18.947   35.082   15.736 10.46461 24.62985 
1 1 1   17   15   52 o   87.672   11.398   22.392   5.1804   32.735   8.1892   15.491   6.6889  105.471   14.369   69.873   17.697 35.59743 22.79541 
1 1 1   17   15   53 o  153.751   7.4221   66.788   6.1048   67.332   9.3173   66.379   8.0812  153.816   11.210  153.685   9.7309 0.1307983 14.84423 
1 1 1   17   15   54 o   55.195   14.207   8.7404   5.4373   10.768   8.4291   7.2954   7.1157   59.037   21.003   51.353   19.138 7.684631 28.41432 
1 1 1   17   15   55 o  194.902   6.5717  107.363   6.8636  116.112   10.543  100.928   9.0423  201.275   9.6936  188.529   8.8759 12.74570 13.14332 
1 1 1   17   15   56 o   99.767   11.085   31.307   5.6953   28.051   8.6292   33.820   7.5809   92.842   17.849  106.691   13.149 -13.84831 22.16942 
1 1 1   17   15   57 o   34.451   11.392  -4.1106   5.3483  -8.0126   8.2388  -1.2685   7.0312   32.845   15.800   36.058   16.416 -3.212276 22.78397 
1 1 1   17   16    0 o  446.917   8.8323  557.449   19.993  489.865   33.778  593.898   24.806  425.259   14.699  468.576   9.7968 -43.31702 17.66462 
1 1 1   17   16    1 o  297.503   6.2952  238.379   10.077  209.044   13.816  271.725   14.730  278.017   9.1963  316.990   8.5993 -38.97253 12.59046 
1 1 1   17   16    2 o  273.996   8.8239  203.025   13.065   0.0000   0.0000  203.025   13.065  ?   ?   273.996   8.8239      ?      ? 
1 1 1   17   16    3 o  503.452   7.2390  685.661   19.693  680.340   27.792  691.027   27.909  501.489   10.256  505.415   10.219 -3.925842 14.47797 
1 1 1   17   16    4 o  580.881   7.9256  913.065   24.877  905.518   35.204  920.593   35.159  578.479   11.262  583.283   11.155 -4.804077 15.85125 
1 1 1   17   16    5 o  272.118   14.848  200.608   21.833   0.0000   0.0000  200.608   21.833  ?   ?   272.118   14.848      ?      ? 
1 1 1   17   16    6 o  470.737   10.631  598.696   26.932  618.694   40.213  582.432   36.266  477.796   15.575  463.679   14.474 14.11612 21.26245 
1 1 1   17   16    7 o  420.727   10.503  479.845   23.838  444.820   33.501  515.766   33.926  405.132   15.303  436.323   14.389 -31.19073 21.00543 
1 1 1   17   16    8 o  412.028   10.397  460.044   23.142  459.009   33.078  461.036   32.390  411.560   14.874  412.496   14.531 -0.9357300 20.79372 
1 1 1   17   16    9 f  146.036   14.138   50.120   9.0310   72.027   21.471   45.411   9.9544  162.609   24.436  129.464   14.229 33.14505 28.27673 
1 1 1   17   16   11 o  303.267   6.6891  249.846   10.561  244.820   17.363  252.798   13.305  300.784   10.683  305.749   8.0533 -4.964447 13.37813 
1 1 1   17   16   12 o  405.451   7.5230  415.929   14.885  512.838   29.151  381.750   17.312  435.204   12.396  375.698   8.5276 59.50562 15.04593 
1 1 1   17   16   13 o  291.546   7.2837  229.836   11.475   0.0000   0.0000  229.836   11.475  ?   ?   291.546   7.2837      ?      ? 
1 1 1   17   16   14 o  481.405   8.4291  626.898   21.927   0.0000   0.0000  626.898   21.927  ?   ?   481.405   8.4291      ?      ? 
1 1 1   17   16   15 o  241.262   6.5204  157.387   8.5007   0.0000   0.0000  157.387   8.5007  ?   ?   241.262   6.5204      ?      ? 
1 1 1   17   16   16 o  1052.35   14.889  3004.16   84.669   0.0000   0.0000  3004.16   84.669  ?   ?   1052.35   14.889      ?      ? 
1 1 1   17   16   17 o  261.861   8.1147  185.493   11.482   0.0000   0.0000  185.493   11.482  ?   ?   261.861   8.1147      ?      ? 
1 1 1   17   16   18 o  420.159   9.8452  477.899   22.353   0.0000   0.0000  477.899   22.353  ?   ?   420.159   9.8452      ?      ? 
1 1 1   17   16   19 o  515.443   7.2790  718.719   20.274   0.0000   0.0000  718.719   20.274  ?   ?   515.443   7.2790      ?      ? 
1 1 1   17   16   20 o  288.603   7.0118  225.325   10.935   0.0000   0.0000  225.325   10.935  ?   ?   288.603   7.0118      ?      ? 
1 1 1   17   16   21 o  198.885   6.7281  107.002   7.2308   0.0000   0.0000  107.002   7.2308  ?   ?   198.885   6.7281      ?      ? 
1 1 1   17   16   22 o  232.494   7.9297  146.302   9.9622   0.0000   0.0000  146.302   9.9622  ?   ?   232.494   7.9297      ?      ? 
1 1 1   17   16   23 o  531.165   10.182  764.689   29.224   0.0000   0.0000  764.689   29.224  ?   ?   531.165   10.182      ?      ? 
1 1 1   17   16   24 o  294.462   7.4199  234.712   11.806   0.0000   0.0000  234.712   11.806  ?   ?   294.462   7.4199      ?      ? 
1 1 1   17   16   25 o  444.368   8.8069  535.108   21.147   0.0000   0.0000  535.108   21.147  ?   ?   444.368   8.8069      ?      ? 
1 1 1   17   16   26 o  324.513   6.0034  284.960   10.527   0.0000   0.0000  284.960   10.527  ?   ?   324.513   6.0034      ?      ? 
1 1 1   17   16   27 f   61.309   13.278   11.201   5.2785  -2.3559   10.869   15.386   6.0385   48.933   21.456   73.686   15.649 -24.75298 26.55655 
1 1 1   17   16   28 o   38.242   12.030  -0.6993   4.2175 -11.2500   10.635   1.2695   4.5942   40.317   18.975   36.168   14.795 4.148575 24.06065 
1 1 1   17   16   30 o  205.697   9.3649  114.960   10.409  114.960   10.409   0.0000   0.0000  205.697   9.3649  ?   ?       ?      ? 
1 1 1   17   16   31 o  303.098   5.7827  249.928   9.4401  239.758   13.745  259.009   12.988  297.184   8.5590  309.013   7.7782 -11.82852 11.56533 
1 1 1   17   16   32 o   88.277   11.460   22.914   5.0655   18.150   8.2419   25.806   6.4214   79.350   19.387   97.205   12.225 -17.85507 22.91983 
1 1 1   17   16   33 o  249.109   7.5720  168.464   10.193   0.0000   0.0000  168.464   10.193  ?   ?   249.109   7.5720      ?      ? 
1 1 1   17   16   34 o  246.868   5.8321  166.651   7.7204  156.516   11.437  175.135   10.464  239.821   8.8254  253.916   7.6266 -14.09511 11.66419 
1 1 1   17   16   35 o  323.539   7.7132  284.475   13.485   0.0000   0.0000  284.475   13.485  ?   ?   323.539   7.7132      ?      ? 
1 1 1   17   16   36 o  107.859   9.1084   33.355   4.9329   27.903   8.3194   36.311   6.1260  100.379   15.338  115.339   9.8290 -14.95994 18.21679 
1 1 1   17   16   37 o  251.385   7.2489  171.835   9.8469   0.0000   0.0000  171.835   9.8469  ?   ?   251.385   7.2489      ?      ? 
1 1 1   17   16   38 o  109.887   8.6567   31.217   4.9353   41.062   8.5782   26.347   6.0339  121.885   13.024   97.889   11.407 23.99557 17.31345 
1 1 1   17   16   39 o  189.553   7.6073   97.889   7.7920   0.0000   0.0000   97.889   7.7920  ?   ?   189.553   7.6073      ?      ? 
1 1 1   17   16   40 o  161.261   6.6066   70.603   5.5922   73.883   9.1461   68.645   7.0672  163.982   10.322  158.540   8.2493 5.442429 13.21321 
1 1 1   17   16   41 o   78.079   16.109   16.687   6.7076   13.718   7.9346   24.122   12.557   68.027   20.153   88.132   25.136 -20.10423 32.21746 
1 1 1   17   16   42 o  189.246   14.483  100.653   14.811   0.0000   0.0000  100.653   14.811  ?   ?   189.246   14.483      ?      ? 
1 1 1   17   16   46 o   53.596   14.978   6.1869   6.0102   6.1869   11.114   6.1869   7.1449   56.615   23.068   50.577   19.110 6.037704 29.95526 
1 1 1   17   16   47 o  347.766   8.4184  333.573   15.820   0.0000   0.0000  333.573   15.820  ?   ?   347.766   8.4184      ?      ? 
1 1 1   17   16   48 o   85.690   11.876   21.089   5.1666   26.701   8.5934   17.913   6.4657   94.038   17.557   77.342   15.999 16.69642 23.75297 
1 1 1   17   16   49 o  112.593   8.9807   35.849   5.3865   37.589   8.4243   34.645   7.0057  114.457   13.621  110.729   11.708 3.727890 17.96148 
1 1 1   17   16   50 o  139.559   7.8183   55.302   5.7887   52.470   8.9352   57.351   7.5990  135.843   12.172  143.274   9.8152 -7.430801 15.63669 
1 1 1   17   16   51 o   83.864   12.402   22.685   5.4254   17.849   8.4994   26.010   7.0481   73.427   20.589   94.300   13.832 -20.87241 24.80387 
1 1 1   17   16   52 o  191.094   6.7195  103.931   6.8164   91.644   10.228  113.751   9.1431  179.989   10.516  202.198   8.3681 -22.20934 13.43898 
1 1 1   17   16   53 o  175.092   7.2670   86.894   6.7995   82.940   10.257   89.995   9.0820  170.904   11.106  179.280   9.3748 -8.375809 14.53407 
1 1 1   17   16   54 o   48.243   13.704   6.2208   5.5550   3.4896   8.4940   8.2620   7.3431   45.121   19.378   51.365   19.381 -6.243977 27.40723 
1 1 1   17   16   55 o   47.726   13.647   4.6885   5.5250   9.8332   8.5538   1.0057   7.2372   55.389   20.914   40.063   17.539 15.32577 27.29468 
1 1 1   17   16   56 o  120.206   9.3861   44.416   5.9791   39.647   8.9908   48.198   8.0060  112.782   14.753  127.630   11.608 -14.84772 18.77223 
1 1 1   17   17    0 o  679.898   12.617  1251.68   46.355   0.0000   0.0000  1251.68   46.355  ?   ?   679.898   12.617      ?      ? 
1 1 1   17   17    1 o  262.207   6.7331  186.016   9.5383  184.158   13.571  187.830   13.408  260.910   9.6261  263.505   9.4168 -2.595581 13.46615 
1 1 1   17   17    2 o  609.111   8.3061  1004.25   27.337  987.149   38.486  1021.66   38.837  603.874   11.794  614.348   11.699 -10.47406 16.61226 
1 1 1   17   17    3 o  845.448   15.043  1937.24   68.722   0.0000   0.0000  1937.24   68.722  ?   ?   845.448   15.043      ?      ? 
1 1 1   17   17    4 o  593.235   8.1501  952.397   26.123  934.126   36.674  971.216   37.220  587.458   11.553  599.012   11.499 -11.55414 16.30011 
1 1 1   17   17    5 o  157.725   9.1480   67.364   7.7728   74.606   11.142   60.498   10.848  165.997   12.422  149.454   13.433 16.54285 18.29598 
1 1 1   17   17    6 o  285.737   6.5890  220.816   10.171  222.705   14.561  219.015   14.214  286.928   9.3914  284.546   9.2446 2.381897 13.17800 
1 1 1   17   17    7 o  389.223   6.6784  408.633   14.025  382.887   19.264  437.678   20.460  376.212   9.4758  402.234   9.4134 -26.02155 13.35676 
1 1 1   17   17    8 o  340.540   9.3432  313.723   17.193   0.0000   0.0000  313.723   17.193  ?   ?   340.540   9.3432      ?      ? 
1 1 1   17   17    9 o   82.476   18.932   14.214   8.3504   10.690   9.4132   27.230   18.090   65.316   22.260   99.635   30.629 -34.31849 37.86351 
1 1 1   17   17   10 o  161.379   18.264   72.768   15.405   66.577   22.742   78.018   20.941  153.573   28.452  169.185   22.906 -15.61137 36.52716 
1 1 1   17   17   11 o  473.251   10.330  606.268   26.417   0.0000   0.0000  606.268   26.417  ?   ?   473.251   10.330      ?      ? 
1 1 1   17   17   13 o  321.980   9.8158  280.590   17.078   0.0000   0.0000  280.590   17.078  ?   ?   321.980   9.8158      ?      ? 
1 1 1   17   17   14 o  608.474   11.265  1002.70   37.041   0.0000   0.0000  1002.70   37.041  ?   ?   608.474   11.265      ?      ? 
1 1 1   17   17   15 o  374.119   6.4662  378.483   13.072   0.0000   0.0000  378.483   13.072  ?   ?   374.119   6.4662      ?      ? 
1 1 1   17   17   16 o  609.559   8.1772  1005.46   26.934   0.0000   0.0000  1005.46   26.934  ?   ?   609.559   8.1772      ?      ? 
1 1 1   17   17   17 o  418.778   10.092  475.062   22.838   0.0000   0.0000  475.062   22.838  ?   ?   418.778   10.092      ?      ? 
1 1 1   17   17   18 o  560.335   11.277  851.167   34.144   0.0000   0.0000  851.167   34.144  ?   ?   560.335   11.277      ?      ? 
1 1 1   17   17   19 o  175.477   8.0896   83.345   7.6707   0.0000   0.0000   83.345   7.6707  ?   ?   175.477   8.0896      ?      ? 
1 1 1   17   17   20 o  478.860   7.8748  620.666   20.377   0.0000   0.0000  620.666   20.377  ?   ?   478.860   7.8748      ?      ? 
1 1 1   17   17   21 o   99.485   11.238   26.847   6.0411   0.0000   0.0000   26.847   6.0411  ?   ?    99.485   11.238      ?      ? 
1 1 1   17   17   22 o  323.589   6.1908  283.292   10.825   0.0000   0.0000  283.292   10.825  ?   ?   323.589   6.1908      ?      ? 
1 1 1   17   17   23 o  292.440   6.1265  231.405   9.6814   0.0000   0.0000  231.405   9.6814  ?   ?   292.440   6.1265      ?      ? 
1 1 1   17   17   24 o  131.827   9.3053   47.126   6.6286   0.0000   0.0000   47.126   6.6286  ?   ?   131.827   9.3053      ?      ? 
1 1 1   17   17   25 o  301.794   9.6895  247.144   15.802   0.0000   0.0000  247.144   15.802  ?   ?   301.794   9.6895      ?      ? 
1 1 1   17   17   27 f   83.382   11.421   18.926   5.1461   0.0000   0.0000   18.926   5.1461  ?   ?    83.382   11.421      ?      ? 
1 1 1   17   17   28 o  221.360   6.9332  129.180   6.6870  140.090   15.070  126.506   7.4619  226.616   12.306  216.104   6.3900 10.51237 13.86646 
1 1 1   17   17   29 o  315.634   7.0698  273.227   11.230  264.414   19.734  277.448   13.657  311.459   11.725  319.809   7.9025 -8.350372 14.13966 
1 1 1   17   17   30 o  511.036   9.9775  710.511   27.552   0.0000   0.0000  710.511   27.552  ?   ?   511.036   9.9775      ?      ? 
1 1 1   17   17   31 o  237.757   7.9075  153.490   10.159   0.0000   0.0000  153.490   10.159  ?   ?   237.757   7.9075      ?      ? 
1 1 1   17   17   32 o  245.084   7.7385  163.161   10.249   0.0000   0.0000  163.161   10.249  ?   ?   245.084   7.7385      ?      ? 
1 1 1   17   17   33 o  129.364   8.3959   45.180   5.7341   48.805   9.2914   42.950   7.2874  133.341   12.895  125.388   10.755 7.953766 16.79181 
1 1 1   17   17   34 o  335.936   7.9963  306.900   14.516   0.0000   0.0000  306.900   14.516  ?   ?   335.936   7.9963      ?      ? 
1 1 1   17   17   35 o  139.084   7.7514   51.596   5.6969   59.487   9.2958   46.850   7.2093  147.252   11.683  130.916   10.191 16.33560 15.50280 
1 1 1   17   17   36 o   92.352   11.139   23.173   5.2065   27.538   8.9721   20.957   6.3931   97.669   17.650   87.035   13.593 10.63421 22.27756 
1 1 1   17   17   37 o  150.050   9.9229   59.170   7.6423   52.601   9.2484   73.311   13.570  138.062   12.397  162.038   15.498 -23.97639 19.84588 
1 1 1   17   17   38 o  104.228   23.734   32.883   13.068   0.0000   0.0000   32.883   13.068  ?   ?   104.228   23.734      ?      ? 
1 1 1   17   17   43 o  188.426   7.8436   94.421   7.6493  113.333   13.265   85.000   9.3627  201.424   12.188  175.428   9.8767 25.99559 15.68726 
1 1 1   17   17   44 o  123.083   8.9740   45.743   5.4220   33.338   9.0256   52.749   6.7822  107.869   15.484  138.298   9.0755 -30.42879 17.94791 
1 1 1   17   17   45 o  182.166   6.5491   91.415   6.2502   93.208   10.204   90.338   7.9069  183.088   10.314  181.244   8.0734 1.843857 13.09822 
1 1 1   17   17   46 o  150.995   7.4091   64.631   5.8756   58.572   9.2028   68.801   7.6341  144.282   11.804  157.708   8.9582 -13.42554 14.81812 
1 1 1   17   17   47 o  184.621   6.8287   96.096   6.6475   86.935   10.298  102.639   8.7036  176.331   10.808  192.911   8.3494 -16.57967 13.65742 
1 1 1   17   17   48 o  162.229   7.1643   73.553   6.1962   73.791   9.5719   73.381   8.1292  162.005   10.934  162.453   9.2604 -0.4478912 14.32864 
1 1 1   17   17   49 o  202.146   6.6530  115.232   7.1536  104.189   10.774  123.940   9.5667  192.735   10.345  211.557   8.3685 -18.82246 13.30592 
1 1 1   17   17   50 f  185.073   6.8033   94.871   6.6957  104.249   10.627   88.698   8.6223  192.065   10.240  178.081   8.9602 13.98404 13.60658 
1 1 1   17   17   51 o   85.555   12.964   23.057   5.7221   23.829   9.0458   22.541   7.3881   85.665   19.919   85.445   16.600 0.2201843 25.92862 
1 1 1   17   17   52 o   70.786   14.197   15.569   5.8850   23.335   9.0047   9.7784   7.7753   84.793   19.980   56.779   20.174 28.01409 28.39411 
1 1 1   17   17   53 o   72.460   13.996   18.868   5.7520   15.001   8.8428   21.705   7.5731   64.183   21.576   80.738   17.834 -16.55568 27.99273 
1 1 1   17   17   54 o   85.254   12.518   22.666   5.7052   34.048   8.8752   14.650   7.4480  105.073   15.631   65.435   19.557 39.63780 25.03643 
1 1 1   17   17   55 o   60.294   14.196   13.211   5.6480   9.1033   8.5299   16.418   7.5368   52.712   20.626   67.876   19.511 -15.16386 28.39202 
1 1 1   17   18    0 o  287.612   6.6873  222.316   10.358  244.081   15.420  204.422   13.982  300.351   9.5011  274.873   9.4133 25.47821 13.37464 
1 1 1   17   18    1 o  140.991   9.8363   53.921   7.4797   58.027   10.617   49.876   10.539  146.339   13.427  135.643   14.378 10.69611 19.67267 
1 1 1   17   18    2 o  170.660   8.6305   78.807   7.9296   88.407   11.430   69.899   11.010  180.686   11.707  160.633   12.684 20.05351 17.26096 
1 1 1   17   18    3 o  675.055   12.527  1234.48   45.697   0.0000   0.0000  1234.48   45.697  ?   ?   675.055   12.527      ?      ? 
1 1 1   17   18    4 o  380.158   6.8517  391.031   14.057  392.586   20.416  389.629   19.385  380.862   9.9200  379.455   9.4539 1.407562 13.70342 
1 1 1   17   18    5 o  406.628   9.4643  447.449   20.796   0.0000   0.0000  447.449   20.796  ?   ?   406.628   9.4643      ?      ? 
1 1 1   17   18    6 o  271.585   6.9540  198.637   10.176  213.030   15.103  186.668   13.772  280.544   9.9625  262.625   9.7047 17.91931 13.90804 
1 1 1   17   18    8 o  354.207   9.3983  339.519   17.988   0.0000   0.0000  339.519   17.988  ?   ?   354.207   9.3983      ?      ? 
1 1 1   17   18   10 o  643.176   9.6556  1112.79   29.291  1139.86   58.199  1103.60   33.898  647.827   16.625  638.526   9.8243 9.301025 19.31110 
1 1 1   17   18   11 o  490.831   7.9246  653.024   18.812  651.576   35.709  653.581   22.133  490.174   13.481  491.488   8.3335 -1.314453 15.84918 
1 1 1   17   18   12 o  167.187   8.2817   75.637   7.4818   0.0000   0.0000   75.637   7.4818  ?   ?   167.187   8.2817      ?      ? 
1 1 1   17   18   13 o  268.703   6.8056  195.299   9.8816   0.0000   0.0000  195.299   9.8816  ?   ?   268.703   6.8056      ?      ? 
1 1 1   17   18   15 o  168.995   12.743   77.497   11.637   0.0000   0.0000   77.497   11.637  ?   ?   168.995   12.743      ?      ? 
1 1 1   17   18   16 o  122.708   17.949   41.044   11.901   0.0000   0.0000   41.044   11.901  ?   ?   122.708   17.949      ?      ? 
1 1 1   17   18   18 o  386.022   9.9130  403.834   20.678   0.0000   0.0000  403.834   20.678  ?   ?   386.022   9.9130      ?      ? 
1 1 1   17   18   20 o  308.409   10.148  257.987   16.912   0.0000   0.0000  257.987   16.912  ?   ?   308.409   10.148      ?      ? 
1 1 1   17   18   21 o  274.798   10.295  204.915   15.288   0.0000   0.0000  204.915   15.288  ?   ?   274.798   10.295      ?      ? 
1 1 1   17   18   22 o  254.930   10.572  176.451   14.564   0.0000   0.0000  176.451   14.564  ?   ?   254.930   10.572      ?      ? 
1 1 1   17   18   23 o  261.171   10.429  185.237   14.718   0.0000   0.0000  185.237   14.718  ?   ?   261.171   10.429      ?      ? 
1 1 1   17   18   24 o  230.716   8.0378  144.299   10.021   0.0000   0.0000  144.299   10.021  ?   ?   230.716   8.0378      ?      ? 
1 1 1   17   18   25 o  225.955   7.5862  138.411   9.2627   0.0000   0.0000  138.411   9.2627  ?   ?   225.955   7.5862      ?      ? 
1 1 1   17   18   26 o   56.857   20.630   7.5135   8.1778   0.0000   0.0000   7.5135   8.1778  ?   ?    56.857   20.630      ?      ? 
1 1 1   17   18   27 o  141.879   10.047   54.740   7.7030   0.0000   0.0000   54.740   7.7030  ?   ?   141.879   10.047      ?      ? 
1 1 1   17   18   28 f  270.790   7.0769  194.441   9.4944  212.162   17.667  187.245   11.258  278.897   11.723  262.682   7.9315 16.21533 14.15380 
1 1 1   17   18   29 o  244.198   8.8019  161.525   11.558  146.847   15.453  180.158   17.411  231.753   12.340  256.643   12.555 -24.89009 17.60379 
1 1 1   17   18   30 o  267.408   8.6862  196.043   12.523  200.428   17.262  191.171   18.196  270.704   11.801  264.111   12.749 6.593445 17.37245 
1 1 1   17   18   31 o  242.345   13.035  161.239   17.070   0.0000   0.0000  161.239   17.070  ?   ?   242.345   13.035      ?      ? 
1 1 1   17   18   32 o  333.202   8.6868  304.525   15.624  304.955   21.612  304.054   22.613  333.566   11.990  332.838   12.573 0.7283325 17.37369 
1 1 1   17   18   33 o  435.027   9.5257  521.284   22.383  517.793   31.173  525.000   32.160  433.628   13.304  436.426   13.637 -2.798798 19.05145 
1 1 1   17   18   34 o  106.179   23.618   33.671   13.201   0.0000   0.0000   33.671   13.201  ?   ?   106.179   23.618      ?      ? 
1 1 1   17   18   39 o  118.591   11.038   38.565   6.7422   43.694   11.698   36.014   8.2502  123.648   17.508  113.535   13.448 10.11359 22.07682 
1 1 1   17   18   40 o  214.820   6.2562  127.609   7.1030  122.170   11.143  131.332   9.2186  210.548   9.7942  219.092   7.7866 -8.544098 12.51231 
1 1 1   17   18   41 o  171.205   6.8662   82.794   6.1465   71.682   9.5977   90.520   8.0029  160.711   11.052  181.699   8.1509 -20.98801 13.73241 
1 1 1   17   18   42 o  114.060   9.3448   38.744   5.3008   29.983   8.8128   43.711   6.6354  102.329   15.938  125.791   9.7618 -23.46185 18.68967 
1 1 1   17   18   43 o  159.684   7.1163   70.515   5.9639   71.512   9.6787   69.906   7.5722  160.109   11.187  159.260   8.7989 0.8496246 14.23268 
1 1 1   17   18   44 o   93.149   10.645   23.942   5.1677   28.778   8.8031   21.399   6.3832   99.530   16.368   86.768   13.614 12.76238 21.28989 
1 1 1   17   18   45 o  124.935   8.2285   43.855   5.4014   43.980   8.7070   43.777   6.8866  124.504   12.942  125.367   10.166 -0.8630371 16.45708 
1 1 1   17   18   46 f   43.454   12.882   1.4026   4.9595   5.1002   8.2323  -0.7041   6.2137   50.127   20.056   36.781   16.173 13.34621 25.76456 
1 1 1   17   18   47 o  122.857   8.7407   42.484   5.6856   45.243   9.0963   40.714   7.2837  125.551   13.408  120.164   11.217 5.386932 17.48144 
1 1 1   17   18   48 o  145.392   8.2360   62.201   6.1708   49.732   9.6365   70.868   8.0341  131.333   13.579  159.451   9.3244 -28.11772 16.47197 
1 1 1   17   18   49 o  188.680   6.8242   99.618   6.8823  104.057   10.627   96.412   9.0326  191.794   10.254  185.566   9.0079 6.227112 13.64842 
1 1 1   17   18   50 o   49.662   14.014   5.2114   5.5652   8.4777   8.9675   3.1656   7.0972   55.319   21.286   44.004   18.234 11.31441 28.02802 
1 1 1   17   18   51 o  173.312   9.6373   84.370   9.0255   0.0000   0.0000   84.370   9.0255  ?   ?   173.312   9.6373      ?      ? 
1 1 1   17   18   52 o   54.590   14.449   9.8764   5.7160   11.285   8.6186   8.7705   7.6374   56.983   21.097   52.197   19.749 4.785709 28.89794 
1 1 1   17   18   53 o   46.750   13.443   3.4240   5.6272   10.444   8.4606  -2.1444   7.5355   56.481   20.904   37.019   16.908 19.46156 26.88607 
1 1 1   17   18   54 o   37.615   12.157  -1.4550   5.5423  -3.4873   8.3673   0.1337   7.3978   36.759   17.147   38.471   17.237 -1.712067 24.31339 
1 1 1   17   19    0 o  284.134   9.6404  218.499   14.802   0.0000   0.0000  218.499   14.802  ?   ?   284.134   9.6404      ?      ? 
1 1 1   17   19    1 o  220.767   7.4930  131.832   8.9271  141.613   12.827  122.644   12.432  228.710   10.379  212.824   10.810 15.88640 14.98606 
1 1 1   17   19    2 o  614.585   11.847  1023.24   39.344   0.0000   0.0000  1023.24   39.344  ?   ?   614.585   11.847      ?      ? 
1 1 1   17   19    3 o  444.873   7.0926  535.849   17.048  528.629   24.206  542.954   24.013  441.890   10.137  447.856   9.9226 -5.965851 14.18526 
1 1 1   17   19    6 o  393.700   6.8444  419.687   14.549  418.863   21.001  420.448   20.173  393.311   9.8815  394.089   9.4731 -0.7777405 13.68880 
1 1 1   17   19    7 o  401.953   6.8109  437.396   14.790  441.345   21.171  433.631   20.671  403.719   9.7045  400.188   9.5592 3.530548 13.62188 
1 1 1   17   19    8 o  337.962   9.2184  309.248   16.835   0.0000   0.0000  309.248   16.835  ?   ?   337.962   9.2184      ?      ? 
1 1 1   17   19    9 o  180.017   11.444   87.851   11.132   0.0000   0.0000   87.851   11.132  ?   ?   180.017   11.444      ?      ? 
1 1 1   17   19   10 o  112.166   10.590   35.196   6.0780   30.833   10.041   37.719   7.6356  106.401   17.465  117.933   11.982 -11.53192 21.17982 
1 1 1   17   19   11 o  263.562   6.3918  189.533   8.6438  183.446   14.628  192.799   10.715  260.192   10.404  266.933   7.4282 -6.740509 12.78359 
1 1 1   17   19   12 o  120.527   10.566   39.370   6.8817   0.0000   0.0000   39.370   6.8817  ?   ?   120.527   10.566      ?      ? 
1 1 1   17   19   13 o  334.192   8.3332  302.352   15.049   0.0000   0.0000  302.352   15.049  ?   ?   334.192   8.3332      ?      ? 
1 1 1   17   19   14 o   61.745   18.311   10.547   6.5482   0.0000   0.0000   10.547   6.5482  ?   ?    61.745   18.311      ?      ? 
1 1 1   17   19   15 o  130.996   10.032   46.513   7.1011   0.0000   0.0000   46.513   7.1011  ?   ?   130.996   10.032      ?      ? 
1 1 1   17   19   16 o  199.052   9.7388  107.407   10.475   0.0000   0.0000  107.407   10.475  ?   ?   199.052   9.7388      ?      ? 
1 1 1   17   19   17 o  250.990   11.108  171.004   15.066   0.0000   0.0000  171.004   15.066  ?   ?   250.990   11.108      ?      ? 
1 1 1   17   19   18 o   92.104   14.003   23.104   6.9694   0.0000   0.0000   23.104   6.9694  ?   ?    92.104   14.003      ?      ? 
1 1 1   17   19   19 o   48.359   17.603   5.2481   5.9606   0.0000   0.0000   5.2481   5.9606  ?   ?    48.359   17.603      ?      ? 
1 1 1   17   19   20 f  338.752   8.2472  311.016   15.096   0.0000   0.0000  311.016   15.096  ?   ?   338.752   8.2472      ?      ? 
1 1 1   17   19   21 o  138.075   9.3208   51.732   6.9544   0.0000   0.0000   51.732   6.9544  ?   ?   138.075   9.3208      ?      ? 
1 1 1   17   19   22 o  249.989   11.182  170.014   15.105   0.0000   0.0000  170.014   15.105  ?   ?   249.989   11.182      ?      ? 
1 1 1   17   19   23 f  255.589   10.680  177.740   14.751   0.0000   0.0000  177.740   14.751  ?   ?   255.589   10.680      ?      ? 
1 1 1   17   19   26 o  155.502   29.882   71.396   24.197   0.0000   0.0000   71.396   24.197  ?   ?   155.502   29.882      ?      ? 
1 1 1   17   19   29 o   69.275   26.584   10.255   13.963   0.0000   0.0000   10.255   13.963  ?   ?    69.275   26.584      ?      ? 
1 1 1   17   19   31 o  160.387   14.032   70.968   12.161   0.0000   0.0000   70.968   12.161  ?   ?   160.387   14.032      ?      ? 
1 1 1   17   19   32 f  339.988   11.534  317.342   21.191   0.0000   0.0000  317.342   21.191  ?   ?   339.988   11.534      ?      ? 
1 1 1   17   19   33 o   94.909   19.873   26.464   9.8654   0.0000   0.0000   26.464   9.8654  ?   ?    94.909   19.873      ?      ? 
1 1 1   17   19   34 o  119.138   16.730   42.581   8.8089   40.968   18.711   43.041   9.9846  113.992   29.976  124.284   14.867 -10.29148 33.46065 
1 1 1   17   19   35 o  218.526   10.640  131.239   12.564   0.0000   0.0000  131.239   12.564  ?   ?   218.526   10.640      ?      ? 
1 1 1   17   19   36 o  161.805   9.7607   71.886   8.5341   0.0000   0.0000   71.886   8.5341  ?   ?   161.805   9.7607      ?      ? 
1 1 1   17   19   37 o  202.980   6.7011  113.028   7.2866  114.268   11.078  112.082   9.6739  203.749   10.062  202.212   8.8533 1.536865 13.40223 
1 1 1   17   19   38 o  138.275   8.4948   55.771   6.0130   39.263   9.0347   68.897   8.0564  118.240   14.140  158.310   9.4178 -40.06995 16.98958 
1 1 1   17   19   39 o  127.958   8.3851   43.932   5.6849   54.983   9.2004   37.107   7.2304  140.410   12.126  115.507   11.584 24.90308 16.77011 
1 1 1   17   19   40 o  142.338   8.1569   58.872   5.9696   45.303   9.2560   68.535   7.8112  126.900   13.498  157.776   9.1619 -30.87582 16.31384 
1 1 1   17   19   41 o  108.475   9.3208   32.518   5.3450   36.230   8.6645   30.238   6.7912  113.022   14.187  103.929   12.093 9.092773 18.64157 
1 1 1   17   19   42 o   95.198   10.847   26.225   5.2353   26.783   8.6573   25.903   6.5735   94.527   17.596   95.869   12.689 -1.341965 21.69438 
1 1 1   17   19   43 o   75.417   13.157   17.419   5.1880   17.651   8.6247   17.287   6.4943   74.970   20.637   75.864   16.326 -0.8939438 26.31411 
1 1 1   17   19   44 o   76.174   13.133   17.710   5.2409   18.592   8.5264   17.174   6.6443   76.975   20.233   75.374   16.748 1.601387 26.26524 
1 1 1   17   19   45 o   58.757   13.863   9.4343   5.1354   14.536   8.3507   6.3313   6.5125   67.991   20.795   49.523   18.338 18.46809 27.72581 
1 1 1   17   19   46 o  165.641   7.2474   74.515   6.3436   88.253   10.373   66.306   8.0178  177.114   10.838  154.167   9.6244 22.94627 14.49472 
1 1 1   17   19   47 o   56.857   13.239   9.6298   5.3896   0.9038   8.6182   15.234   6.9070   44.202   19.251   69.513   18.181 -25.31116 26.47894 
1 1 1   17   19   48 o   62.567   14.448   12.941   5.6535   10.473   9.2642   14.405   7.1364   58.501   21.830   66.633   18.931 -8.132225 28.89502 
1 1 1   17   19   49 f  103.984   16.427   32.457   9.2301   32.457   9.2301   0.0000   0.0000  103.984   16.427  ?   ?       ?      ? 
1 1 1   17   19   50 o   45.718   13.001   1.3676   5.4174   10.582   8.2506  -5.6158   7.1825   58.144   20.769   33.293   15.645 24.85126 26.00219 
1 1 1   17   19   51 o   62.590   13.461   13.945   5.4759   6.8276   8.2042   19.664   7.3537   49.112   19.890   76.068   18.145 -26.95571 26.92267 
1 1 1   17   19   52 o  108.534   10.324   35.543   5.9789   37.097   9.2677   34.435   7.8252  109.678   15.637  107.390   13.485 2.288048 20.64868 
1 1 1   17   19   53 o   45.496   13.611   4.6950   5.6926   5.3418   8.9147   4.2496   7.3972   47.172   20.044   43.819   18.419 3.353031 27.22236 
1 1 1   17   20    1 o  149.172   10.772   60.376   8.6663   65.949   12.529   55.263   12.000  155.781   14.884  142.563   15.577 13.21817 21.54478 
1 1 1   17   20    3 o  503.360   10.514  686.582   28.597   0.0000   0.0000  686.582   28.597  ?   ?   503.360   10.514      ?      ? 
1 1 1   17   20    4 o  178.969   11.645   86.856   11.262   0.0000   0.0000   86.856   11.262  ?   ?   178.969   11.645      ?      ? 
1 1 1   17   20    5 o  602.253   8.3278  983.336   27.097  957.926   37.947  1009.77   38.705  594.310   11.816  610.196   11.739 -15.88623 16.65566 
1 1 1   17   20    6 o  169.072   8.6262   77.998   7.8141   89.518   11.041   66.436   11.061  181.705   11.245  156.439   13.085 25.26544 17.25242 
1 1 1   17   20    9 o  274.616   6.6061  204.341   9.0986  204.144   16.231  204.432   10.987  274.386   10.947  274.846   7.3980 -0.4602356 13.21215 
1 1 1   17   20   10 o  100.434   11.958   25.803   6.0885   41.419   10.160   17.052   7.6055  123.366   15.241   77.501   18.430 45.86550 23.91525 
1 1 1   17   20   11 o  504.790   10.041  690.765   27.388   0.0000   0.0000  690.765   27.388  ?   ?   504.790   10.041      ?      ? 
1 1 1   17   20   12 o  301.938   8.2298  246.910   13.428   0.0000   0.0000  246.910   13.428  ?   ?   301.938   8.2298      ?      ? 
1 1 1   17   20   13 o  241.693   7.6132  158.176   9.9431   0.0000   0.0000  158.176   9.9431  ?   ?   241.693   7.6132      ?      ? 
1 1 1   17   20   14 o  305.232   6.5296  252.152   10.770   0.0000   0.0000  252.152   10.770  ?   ?   305.232   6.5296      ?      ? 
1 1 1   17   20   15 o  108.797   13.056   32.212   7.6757   0.0000   0.0000   32.212   7.6757  ?   ?   108.797   13.056      ?      ? 
1 1 1   17   20   16 f  106.212   11.598   30.662   6.6562   0.0000   0.0000   30.662   6.6562  ?   ?   106.212   11.598      ?      ? 
1 1 1   17   20   17 o  153.389   8.6296   63.791   7.1528   0.0000   0.0000   63.791   7.1528  ?   ?   153.389   8.6296      ?      ? 
1 1 1   17   20   18 o  354.887   6.5300  341.010   12.522   0.0000   0.0000  341.010   12.522  ?   ?   354.887   6.5300      ?      ? 
1 1 1   17   20   19 o  534.300   11.278  776.712   32.562   0.0000   0.0000  776.712   32.562  ?   ?   534.300   11.278      ?      ? 
1 1 1   17   20   20 o  544.734   10.485  807.096   30.863   0.0000   0.0000  807.096   30.863  ?   ?   544.734   10.485      ?      ? 
1 1 1   17   20   21 o  239.595   11.774  156.478   15.244   0.0000   0.0000  156.478   15.244  ?   ?   239.595   11.774      ?      ? 
1 1 1   17   20   22 o  480.764   9.6954  628.257   25.187   0.0000   0.0000  628.257   25.187  ?   ?   480.764   9.6954      ?      ? 
1 1 1   17   20   23 o  130.482   9.9255   46.307   6.9983   0.0000   0.0000   46.307   6.9983  ?   ?   130.482   9.9255      ?      ? 
1 1 1   17   20   24 o  159.565   9.0870   69.216   7.8351   0.0000   0.0000   69.216   7.8351  ?   ?   159.565   9.0870      ?      ? 
1 1 1   17   20   25 o  215.272   8.1229  125.897   9.4490   0.0000   0.0000  125.897   9.4490  ?   ?   215.272   8.1229      ?      ? 
1 1 1   17   20   27 o  190.083   8.3766   98.278   8.6040   0.0000   0.0000   98.278   8.6040  ?   ?   190.083   8.3766      ?      ? 
1 1 1   17   20   28 o  201.636   8.0622  110.568   8.7844   0.0000   0.0000  110.568   8.7844  ?   ?   201.636   8.0622      ?      ? 
1 1 1   17   20   29 o  157.745   9.1971   67.846   7.8396   0.0000   0.0000   67.846   7.8396  ?   ?   157.745   9.1971      ?      ? 
1 1 1   17   20   30 o  507.021   14.613  712.612   40.037  712.612   40.037   0.0000   0.0000  507.021   14.613  ?   ?       ?      ? 
1 1 1   17   20   31 o  135.401   10.181   55.892   5.6247   43.153   12.523   59.112   6.2955  123.503   18.764  147.298   7.9094 -23.79554 20.36291 
1 1 1   17   20   32 o  152.135   8.3686   64.731   6.7498   51.503   9.6742   77.279   9.4220  136.420   13.124  167.851   10.388 -31.43063 16.73728 
1 1 1   17   20   33 o   67.284   14.594   12.036   6.0285   19.417   9.3012   6.6881   7.9165   80.646   21.100   53.922   20.168 26.72344 29.18892 
1 1 1   17   20   34 o  185.778   7.1582   96.039   7.0887   84.436   10.483  105.815   9.6221  174.997   11.086  196.559   9.0592 -21.56224 14.31647 
1 1 1   17   20   35 o  147.577   8.2199   59.430   6.4840   66.182   10.108   54.709   8.4522  154.443   12.112  140.710   11.116 13.73299 16.43970 
1 1 1   17   20   36 o   73.815   13.835   15.225   5.7365   23.798   9.0781   9.5262   7.4015   89.186   19.390   58.444   19.739 30.74241 27.66951 
1 1 1   17   20   37 o  132.398   8.7628   48.561   6.1796   51.011   9.6783   46.875   8.0294  134.885   13.278  129.911   11.438 4.973419 17.52559 
1 1 1   17   20   38 o  180.355   7.1419   90.626   6.8584   84.941   10.435   94.949   9.0998  174.945   11.038  185.766   9.0652 -10.82150 14.28371 
1 1 1   17   20   39 o  254.951   8.0445  178.317   11.083   0.0000   0.0000  178.317   11.083  ?   ?   254.951   8.0445      ?      ? 
1 1 1   17   20   40 o   56.161   14.195   7.5769   5.4295   12.943   8.8561   4.3457   6.8726   65.559   21.580   46.763   18.448 18.79623 28.39017 
1 1 1   17   20   41 o   79.229   13.215   18.142   5.4421   24.656   9.0665   14.474   6.8042   89.599   19.296   68.858   18.062 20.74072 26.43094 
1 1 1   17   20   42 o   48.812   13.161   4.9735   5.2556  -1.9837   8.4467   9.3685   6.7134   41.135   18.425   56.489   18.798 -15.35413 26.32200 
1 1 1   17   20   43 o   42.667   12.884  -0.2381   5.1468   5.3805   8.6348  -3.3343   6.4099   51.278   20.532   34.056   15.570 17.22169 25.76772 
1 1 1   17   20   44 o  180.624   7.1848   91.175   6.8060   91.458   11.028   91.000   8.6498  180.106   11.331  181.142   8.8369 -1.035278 14.36955 
1 1 1   17   20   45 o  260.477   6.2336  189.286   8.6891  180.700   13.047  196.130   11.648  254.594   9.4834  266.360   8.0930 -11.76564 12.46716 
1 1 1   17   20   46 o   58.013   14.469   10.165   5.4479   11.184   9.3318   9.6380   6.7100   60.111   22.003   55.915   18.795 4.196362 28.93754 
1 1 1   17   20   47 o  153.385   9.8763   66.251   8.1859   0.0000   0.0000   66.251   8.1859  ?   ?   153.385   9.8763      ?      ? 
1 1 1   17   20   48 o  174.764   7.4322   87.304   6.9086   77.874   10.338   94.915   9.2870  165.331   11.571  184.198   9.3304 -18.86621 14.86439 
1 1 1   17   20   49 o  106.535   11.673   37.421   6.0365   23.540   9.0613   48.497   8.0941   83.508   20.282  129.561   11.561 -46.05387 23.34587 
1 1 1   17   20   50 o   43.992   12.812   2.8830   5.4693  -5.0313   8.3383   8.8592   7.2457   35.699   16.801   52.285   19.346 -16.58567 25.62355 
1 1 1   17   20   51 o   51.187   13.020   4.0661   5.4340   17.144   8.5059  -4.9515   7.0632   69.438   20.933   32.937   15.489 36.50137 26.04071 
1 1 1   17   20   52 o   58.000   14.665   12.258   5.7707   13.126   8.8703   11.622   7.5986   59.161   21.483   56.839   19.970 2.322674 29.33069 
1 1 1   17   21    0 o  324.780   11.911  286.261   20.904   0.0000   0.0000  286.261   20.904  ?   ?   324.780   11.911      ?      ? 
1 1 1   17   21    1 o  247.825   8.0643  168.389   10.633  178.606   14.129  155.045   16.147  256.689   10.186  238.961   12.505 17.72752 16.12861 
1 1 1   17   21    2 o  259.893   7.6315  183.049   10.533  182.484   13.676  183.874   16.513  259.489   9.7535  260.297   11.740 -0.8079834 15.26300 
1 1 1   17   21    3 o  126.452   11.804   44.651   7.8390   49.495   10.327   38.063   12.042  134.903   14.166  118.001   18.885 16.90163 23.60805 
1 1 1   17   21    4 o  321.831   9.8528  280.763   17.135   0.0000   0.0000  280.763   17.135  ?   ?   321.831   9.8528      ?      ? 
1 1 1   17   21    6 o  206.149   10.914  115.319   12.157   0.0000   0.0000  115.319   12.157  ?   ?   206.149   10.914      ?      ? 
1 1 1   17   21    7 o   88.710   14.288   22.463   6.6751   22.924   9.0251   21.907   9.9178   89.828   19.177   87.591   21.185 2.237671 28.57565 
1 1 1   17   21    8 o  156.228   9.7879   66.689   8.1319   67.915   10.654   64.977   12.587  158.064   12.473  154.392   15.087 3.672043 19.57575 
1 1 1   17   21    9 o  239.583   7.0524  152.520   8.8553  168.536   14.706  143.408   11.092  249.152   10.923  230.014   8.9240 19.13776 14.10484 
1 1 1   17   21   10 o  216.944   7.2012  127.077   8.3700  132.455   12.805  123.065   11.060  220.880   10.729  213.008   9.6086 7.871643 14.40232 
1 1 1   17   21   11 o  510.281   10.123  706.662   27.913   0.0000   0.0000  706.662   27.913  ?   ?   510.281   10.123      ?      ? 
1 1 1   17   21   12 o  163.522   9.7133   72.554   8.5828   0.0000   0.0000   72.554   8.5828  ?   ?   163.522   9.7133      ?      ? 
1 1 1   17   21   13 o  299.973   7.4378  243.756   12.056   0.0000   0.0000  243.756   12.056  ?   ?   299.973   7.4378      ?      ? 
1 1 1   17   21   15 o  243.347   8.7864  160.659   11.554   0.0000   0.0000  160.659   11.554  ?   ?   243.347   8.7864      ?      ? 
1 1 1   17   21   19 o  162.145   10.244   71.514   8.9757   0.0000   0.0000   71.514   8.9757  ?   ?   162.145   10.244      ?      ? 
1 1 1   17   21   20 o  136.582   11.674   50.867   8.6160   0.0000   0.0000   50.867   8.6160  ?   ?   136.582   11.674      ?      ? 
1 1 1   17   21   21 o  318.824   8.3928  276.067   14.459   0.0000   0.0000  276.067   14.459  ?   ?   318.824   8.3928      ?      ? 
1 1 1   17   21   23 o  167.450   9.2006   76.328   8.3251   0.0000   0.0000   76.328   8.3251  ?   ?   167.450   9.2006      ?      ? 
1 1 1   17   21   24 o  121.032   11.272   40.051   7.3717   0.0000   0.0000   40.051   7.3717  ?   ?   121.032   11.272      ?      ? 
1 1 1   17   21   25 o  125.375   9.4326   42.841   6.3905   0.0000   0.0000   42.841   6.3905  ?   ?   125.375   9.4326      ?      ? 
1 1 1   17   21   26 o  164.152   7.8465   73.266   6.9600   0.0000   0.0000   73.266   6.9600  ?   ?   164.152   7.8465      ?      ? 
1 1 1   17   21   27 o  122.876   9.5401   41.210   6.3344   0.0000   0.0000   41.210   6.3344  ?   ?   122.876   9.5401      ?      ? 
1 1 1   17   21   28 o  100.630   12.294   27.880   6.6852   0.0000   0.0000   27.880   6.6852  ?   ?   100.630   12.294      ?      ? 
1 1 1   17   21   29 o  142.296   8.5666   55.251   6.5870   0.0000   0.0000   55.251   6.5870  ?   ?   142.296   8.5666      ?      ? 
1 1 1   17   21   30 o   50.048   13.947   4.9927   4.9830  -0.4885   11.273   6.3236   5.5552   50.686   22.046   49.411   17.091 1.275005 27.89493 
1 1 1   17   21   31 o  118.403   9.6741   35.661   5.3664   45.833   11.281   32.686   6.1009  127.696   16.349  109.111   10.348 18.58426 19.34818 
1 1 1   17   21   32 o  132.855   9.9569   54.450   5.6042   40.586   11.739   58.542   6.3780  119.303   18.209  146.407   8.0618 -27.10357 19.91377 
1 1 1   17   21   33 o  124.203   9.7903   43.560   6.5005   38.652   9.5172   47.851   8.9000  117.207   15.027  131.200   12.554 -13.99265 19.58052 
1 1 1   17   21   34 o  129.863   9.3326   46.614   6.4664   57.968   9.6294   37.288   8.7269  144.389   12.342  115.337   14.002 29.05212 18.66514 
1 1 1   17   21   35 o  125.654   12.392   44.040   8.4143   0.0000   0.0000   44.040   8.4143  ?   ?   125.654   12.392      ?      ? 
1 1 1   17   21   36 o  189.420   9.2446   98.787   9.4625   0.0000   0.0000   98.787   9.4625  ?   ?   189.420   9.2446      ?      ? 
1 1 1   17   21   37 o  119.202   11.067   44.427   6.2612   27.084   9.5950   57.289   8.2629   94.666   19.409  143.739   10.638 -49.07315 22.13306 
1 1 1   17   21   38 o  255.363   8.3112  179.278   11.469   0.0000   0.0000  179.278   11.469  ?   ?   255.363   8.3112      ?      ? 
1 1 1   17   21   39 o   59.254   13.929   7.4669   5.8574   18.761   9.1507  -0.3731   7.6240   77.315   21.247   41.193   18.019 36.12188 27.85872 
1 1 1   17   21   40 o  116.982   9.7780   40.455   5.9045   32.516   9.1930   46.029   7.7036  105.752   16.087  128.212   11.119 -22.46051 19.55602 
1 1 1   17   21   41 o   68.743   14.116   15.036   5.6444   11.405   8.9482   17.435   7.2740   62.087   21.679   75.399   18.086 -13.31203 28.23222 
1 1 1   17   21   42 o  127.969   9.6309   48.730   6.2939   39.455   10.063   54.688   8.0661  116.184   16.029  139.755   10.681 -23.57108 19.26181 
1 1 1   17   21   43 o   66.242   13.458   14.214   5.6584   5.3647   8.8231   20.396   7.3747   50.992   20.635   81.492   17.283 -30.50000 26.91678 
1 1 1   17   21   44 o  236.611   8.3282  155.215   10.648   0.0000   0.0000  155.215   10.648  ?   ?   236.611   8.3282      ?      ? 
1 1 1   17   21   45 f   58.525   11.750   9.0505   5.5615  -9.2636   8.8133   21.169   7.1692   34.607   16.567   82.443   16.666 -47.83573 23.49905 
1 1 1   17   21   46 o   44.423   12.435   1.0737   5.4930 -12.8639   8.8689   9.7477   6.9966   32.514   15.819   56.332   19.191 -23.81806 24.87019 
1 1 1   17   21   47 o   39.805   12.087  -2.1361   5.4565 -14.5979   8.7046   5.9306   7.0033   31.053   15.228   48.556   18.775 -17.50306 24.17426 
1 1 1   17   21   48 o   95.082   12.144   29.194   6.0056   29.503   9.2950   28.974   7.8686   93.351   19.071   96.814   15.041 -3.463432 24.28846 
1 1 1   17   21   49 o  106.643   11.749   37.698   6.1484   25.944   9.3129   46.780   8.1860   86.919   20.211  126.366   11.988 -39.44724 23.49875 
1 1 1   17   21   50 o   37.093   12.136  -2.6346   5.6026  -2.6414   9.0030  -2.6303   7.1572   39.063   18.072   35.123   16.202 3.939453 24.27121 
1 1 1   17   22    0 o  387.603   8.7812  408.298   18.386  421.171   26.398  396.171   25.622  393.534   12.414  381.673   12.423 11.86023 17.56239 
1 1 1   17   22    1 o  235.591   8.6018  150.936   10.948  153.829   15.449  148.018   15.518  237.876   12.019  233.305   12.309 4.571075 17.20367 
1 1 1   17   22    2 o  187.313   9.3719   95.899   9.4248  108.491   13.342   83.356   13.316  199.728   12.362  174.898   14.090 24.83012 18.74372 
1 1 1   17   22    3 o  110.013   14.152   34.519   8.0921   39.505   10.985   28.604   11.966  120.169   16.916   99.858   22.692 20.31054 28.30310 
1 1 1   17   22    4 o  156.861   10.469   66.848   8.8445   59.707   12.122   74.977   12.934  147.902   15.167  165.819   14.434 -17.91669 20.93778 
1 1 1   17   22    5 o  267.885   8.2580  195.107   11.938  195.428   16.472  194.752   17.326  268.161   11.368  267.610   11.982 0.5504761 16.51610 
1 1 1   17   22    6 o  122.117   12.103   41.142   7.9073   43.536   10.665   38.221   11.783  126.226   15.636  118.008   18.479 8.218170 24.20660 
1 1 1   17   22    7 o   61.864   15.840   8.6162   7.1121   12.883   9.0670   1.7930   11.466   68.728   21.771   55.001   23.015 13.72707 31.68055 
1 1 1   17   22    8 o  281.084   8.0308  214.530   12.119  212.297   16.205  217.365   18.256  279.522   10.728  282.646   11.953 -3.124268 16.06158 
1 1 1   17   22    9 o  310.857   8.0763  262.956   13.551  265.766   18.789  259.910   19.564  312.642   11.122  309.072   11.714 3.570007 16.15256 
1 1 1   17   22   10 o  271.477   11.660  200.586   17.105   0.0000   0.0000  200.586   17.105  ?   ?   271.477   11.660      ?      ? 
1 1 1   17   22   11 o  177.735   11.065   85.949   10.627   0.0000   0.0000   85.949   10.627  ?   ?   177.735   11.065      ?      ? 
1 1 1   17   22   12 o  182.778   10.166   90.832   10.041   0.0000   0.0000   90.832   10.041  ?   ?   182.778   10.166      ?      ? 
1 1 1   17   22   13 o   55.231   20.642   6.5253   8.2890   0.0000   0.0000   6.5253   8.2890  ?   ?    55.231   20.642      ?      ? 
1 1 1   17   22   14 f  286.907   11.606  224.324   17.994   0.0000   0.0000  224.324   17.994  ?   ?   286.907   11.606      ?      ? 
1 1 1   17   22   15 o  170.323   8.7627   78.767   8.0649   0.0000   0.0000   78.767   8.0649  ?   ?   170.323   8.7627      ?      ? 
1 1 1   17   22   16 o  136.089   9.5542   50.343   7.0260   0.0000   0.0000   50.343   7.0260  ?   ?   136.089   9.5542      ?      ? 
1 1 1   17   22   17 o  150.418   8.8087   61.467   7.1598   0.0000   0.0000   61.467   7.1598  ?   ?   150.418   8.8087      ?      ? 
1 1 1   17   22   18 o  247.464   8.7716  166.433   11.729   0.0000   0.0000  166.433   11.729  ?   ?   247.464   8.7716      ?      ? 
1 1 1   17   22   19 o  228.232   9.1693  141.726   11.308   0.0000   0.0000  141.726   11.308  ?   ?   228.232   9.1693      ?      ? 
1 1 1   17   22   20 o   99.373   12.395   27.049   6.6559   0.0000   0.0000   27.049   6.6559  ?   ?    99.373   12.395      ?      ? 
1 1 1   17   22   21 o  411.078   8.9514  460.015   19.884   0.0000   0.0000  460.015   19.884  ?   ?   411.078   8.9514      ?      ? 
1 1 1   17   22   22 o  109.283   10.957   32.646   6.4704   0.0000   0.0000   32.646   6.4704  ?   ?   109.283   10.957      ?      ? 
1 1 1   17   22   23 o  185.392   7.8716   93.450   7.8857   0.0000   0.0000   93.450   7.8857  ?   ?   185.392   7.8716      ?      ? 
1 1 1   17   22   24 o   31.000   14.456  -5.3804   5.9402   0.0000   0.0000  -5.3804   5.9402  ?   ?    31.000   14.456      ?      ? 
1 1 1   17   22   25 o   82.416   13.671   18.764   6.0882   0.0000   0.0000   18.764   6.0882  ?   ?    82.416   13.671      ?      ? 
1 1 1   17   22   26 o  149.896   8.2051   61.245   6.6460   0.0000   0.0000   61.245   6.6460  ?   ?   149.896   8.2051      ?      ? 
1 1 1   17   22   27 o  229.600   8.0940  143.720   10.042   0.0000   0.0000  143.720   10.042  ?   ?   229.600   8.0940      ?      ? 
1 1 1   17   22   28 f  162.420   14.547   73.461   12.767   0.0000   0.0000   73.461   12.767  ?   ?   162.420   14.547      ?      ? 
1 1 1   17   22   29 o   89.921   14.087   22.518   6.8447   0.0000   0.0000   22.518   6.8447  ?   ?    89.921   14.087      ?      ? 
1 1 1   17   22   30 o  196.369   10.452  106.138   11.090   0.0000   0.0000  106.138   11.090  ?   ?   196.369   10.452      ?      ? 
1 1 1   17   22   31 o   90.838   12.821   23.209   5.1287   25.631   11.195   22.566   5.7698   91.446   22.748   90.230   11.834 1.215797 25.64226 
1 1 1   17   22   32 o  218.407   7.3376  128.245   7.1976  137.635   15.478  125.654   8.1301  222.173   12.893  214.641   7.0096 7.531784 14.67516 
1 1 1   17   22   33 o  199.663   8.0818  108.106   8.4525  121.149   14.077  100.752   10.570  208.329   12.505  190.996   10.241 17.33327 16.16350 
1 1 1   17   22   34 o   50.651   14.401   4.2608   6.1349   1.3733   8.7902   7.0030   8.5663   46.612   19.858   54.689   20.861 -8.077084 28.80139 
1 1 1   17   22   35 o  224.314   9.1783  138.596   11.125   0.0000   0.0000  138.596   11.125  ?   ?   224.314   9.1783      ?      ? 
1 1 1   17   22   36 o   44.823   13.466  -0.8998   5.9154   6.5403   9.1064  -6.3312   7.7805   54.381   21.303   35.264   16.479 19.11719 26.93245 
1 1 1   17   22   37 f  173.199   7.7826   85.125   7.1381   73.917   10.737   94.003   9.5557  162.148   12.254  184.250   9.5977 -22.10165 15.56522 
1 1 1   17   22   38 o   48.290   14.079   3.6517   5.9053   3.0436   9.0638   4.1002   7.7841   48.732   20.432   47.848   19.375 0.8842735 28.15794 
1 1 1   17   22   39 o   91.096   12.908   25.312   6.1433   23.227   9.4458   26.840   8.0874   85.940   20.607   96.253   15.549 -10.31347 25.81508 
1 1 1   17   22   40 o   84.111   13.087   23.089   5.9674   13.314   9.2193   30.136   7.8285   65.704   22.031  102.518   14.132 -36.81333 26.17386 
1 1 1   17   22   41 o   77.847   14.240   18.326   5.9528   24.895   9.7071   14.366   7.5362   88.211   20.718   67.484   19.542 20.72692 28.48031 
1 1 1   17   22   42 o  130.245   9.2377   49.575   6.3443   42.372   9.5748   55.212   8.4708  120.655   14.686  139.836   11.210 -19.18169 18.47548 
1 1 1   17   22   43 o  103.827   11.460   32.882   6.1282   31.669   9.5666   33.726   7.9806  100.237   18.338  107.418   13.749 -7.180954 22.91973 
1 1 1   17   22   44 o   99.483   12.299   31.982   6.1591   22.323   9.2633   39.636   8.2459   82.064   20.848  116.902   13.054 -34.83787 24.59744 
1 1 1   17   22   45 o   61.198   20.022   11.878   7.6282   0.0000   0.0000   11.878   7.6282  ?   ?    61.198   20.022      ?      ? 
1 1 1   17   22   46 o  102.015   11.274   32.089   5.9255   30.911   9.2348   32.913   7.7256   98.376   18.037  105.653   13.532 -7.276527 22.54852 
1 1 1   17   22   47 f   90.383   12.779   27.953   5.9799   23.109   9.2644   31.412   7.8293   79.700   21.158  101.066   14.336 -21.36610 25.55768 
1 1 1   17   22   48 o   64.347   15.093   14.504   6.0439   15.118   9.6112   14.102   7.7731   64.814   22.477   63.880   20.149 0.9338608 30.18589 
1 1 1   17   22   49 o  127.791   9.9420   52.403   6.4724   38.317   9.7649   63.441   8.6441  108.588   16.642  146.995   10.882 -38.40676 19.88404 
1 1 1   17   23    0 o   91.162   15.041   24.000   7.2916   26.715   10.177   21.135   10.452   96.637   20.142   85.688   22.343 10.94903 30.08176 
1 1 1   17   23    1 o   54.507   15.486   4.0097   7.0023   2.3554   10.040   5.5762   9.7706   52.476   21.711   56.538   22.089 -4.062065 30.97240 
1 1 1   17   23    2 o  150.928   13.240   62.166   10.798   0.0000   0.0000   62.166   10.798  ?   ?   150.928   13.240      ?      ? 
1 1 1   17   23    3 o   70.441   15.174   13.361   6.7043   20.013   9.3822   6.4203   9.5837   83.400   20.869   57.482   22.032 25.91768 30.34714 
1 1 1   17   23    4 o  166.175   8.6946   74.913   7.7216   60.659   10.532   91.480   11.354  149.069   13.075  183.281   11.464 -34.21169 17.38926 
1 1 1   17   23    5 o  178.820   8.2321   86.733   7.9313   78.178   10.853   96.540   11.619  169.369   11.858  188.270   11.421 -18.90056 16.46414 
1 1 1   17   23    7 o  145.886   9.7769   59.235   7.5238   72.950   10.558   45.085   10.724  163.573   11.945  128.198   15.481 35.37483 19.55371 
1 1 1   17   23    8 o  292.821   6.7501  235.313   9.9050  226.802   17.525  239.308   12.007  288.564   11.239  297.079   7.4793 -8.514771 13.50017 
1 1 1   17   23    9 o   55.580   14.002   7.2492   5.5338   2.0980   8.8361   10.573   7.0981   49.266   20.374   61.894   19.212 -12.62857 28.00397 
1 1 1   17   23   10 o   82.028   16.460   19.130   7.0422   0.0000   0.0000   19.130   7.0422  ?   ?    82.028   16.460      ?      ? 
1 1 1   17   23   11 o  166.403   9.2147   75.236   8.2857   0.0000   0.0000   75.236   8.2857  ?   ?   166.403   9.2147      ?      ? 
1 1 1   17   23   12 o  111.682   11.828   34.027   7.1381   0.0000   0.0000   34.027   7.1381  ?   ?   111.682   11.828      ?      ? 
1 1 1   17   23   13 o  180.298   9.0750   88.362   8.8415   0.0000   0.0000   88.362   8.8415  ?   ?   180.298   9.0750      ?      ? 
1 1 1   17   23   14 o  261.864   6.9875  185.982   9.8875   0.0000   0.0000  185.982   9.8875  ?   ?   261.864   6.9875      ?      ? 
1 1 1   17   23   15 o  239.639   7.1478  155.823   9.2558   0.0000   0.0000  155.823   9.2558  ?   ?   239.639   7.1478      ?      ? 
1 1 1   17   23   16 o  321.148   8.2782  280.357   14.366   0.0000   0.0000  280.357   14.366  ?   ?   321.148   8.2782      ?      ? 
1 1 1   17   23   17 o  204.078   14.189  114.635   15.647   0.0000   0.0000  114.635   15.647  ?   ?   204.078   14.189      ?      ? 
1 1 1   17   23   18 o  176.873   8.1053   85.058   7.7467   0.0000   0.0000   85.058   7.7467  ?   ?   176.873   8.1053      ?      ? 
1 1 1   17   23   19 o   87.309   13.969   20.995   6.5902   0.0000   0.0000   20.995   6.5902  ?   ?    87.309   13.969      ?      ? 
1 1 1   17   23   20 o   47.188   17.857   4.6205   6.2454   0.0000   0.0000   4.6205   6.2454  ?   ?    47.188   17.857      ?      ? 
1 1 1   17   23   21 o  217.340   7.5399  128.425   8.8550   0.0000   0.0000  128.425   8.8550  ?   ?   217.340   7.5399      ?      ? 
1 1 1   17   23   22 o  310.607   11.213  264.621   18.821   0.0000   0.0000  264.621   18.821  ?   ?   310.607   11.213      ?      ? 
1 1 1   17   23   23 o   66.227   17.156   12.758   6.1890   0.0000   0.0000   12.758   6.1890  ?   ?    66.227   17.156      ?      ? 
1 1 1   17   23   24 o   71.352   16.381   14.795   6.1825   0.0000   0.0000   14.795   6.1825  ?   ?    71.352   16.381      ?      ? 
1 1 1   17   23   25 o  173.617   7.7177   82.135   7.2405   0.0000   0.0000   82.135   7.2405  ?   ?   173.617   7.7177      ?      ? 
1 1 1   17   23   26 o  113.099   10.550   35.139   6.4475   0.0000   0.0000   35.139   6.4475  ?   ?   113.099   10.550      ?      ? 
1 1 1   17   23   27 o  119.154   9.8756   38.972   6.3586   0.0000   0.0000   38.972   6.3586  ?   ?   119.154   9.8756      ?      ? 
1 1 1   17   23   28 o   95.454   12.167   25.272   6.2758   0.0000   0.0000   25.272   6.2758  ?   ?    95.454   12.167      ?      ? 
1 1 1   17   23   29 o  185.097   13.428   95.685   13.431   0.0000   0.0000   95.685   13.431  ?   ?   185.097   13.428      ?      ? 
1 1 1   17   23   30 o  134.656   9.3734   49.842   6.8204   0.0000   0.0000   49.842   6.8204  ?   ?   134.656   9.3734      ?      ? 
1 1 1   17   23   31 o   52.253   13.458   7.0969   5.0450  -1.5108   10.338   9.7877   5.7800   46.721   20.687   57.785   17.219 -11.06408 26.91591 
1 1 1   17   23   32 o   33.350   11.155  -6.6476   5.0448 -18.7477   10.315  -2.8428   5.7839   33.731   16.548   32.968   14.962 0.7635231 22.30949 
1 1 1   17   23   33 o  175.932   8.4227   91.175   6.6674   77.342   13.391   95.735   7.6882  164.889   15.029  186.975   7.6094 -22.08521 16.84539 
1 1 1   17   23   34 o   93.625   14.308   24.549   7.1971   40.315   11.773   15.142   9.0943  117.118   18.603   70.131   21.743 46.98718 28.61523 
1 1 1   17   23   35 o   87.257   14.286   23.582   6.5949   23.626   9.6205   23.542   9.0580   87.063   20.744   87.450   19.648 -0.3869781 28.57189 
1 1 1   17   23   36 o   41.160   13.029  -5.1571   6.2710   3.6036   9.3237 -12.3941   8.4742   49.983   20.821   32.338   15.670 17.64458 26.05863 
1 1 1   17   23   37 o   50.120   20.617   4.2065   8.9843   4.2065   8.9843   0.0000   0.0000   50.120   20.617  ?   ?       ?      ? 
1 1 1   17   23   38 o   95.300   12.690   26.733   6.3083   38.668   9.6120   17.702   8.3609  115.543   15.395   75.057   20.179 40.48535 25.38082 
1 1 1   17   23   39 o  206.404   7.3622  120.786   8.0956  107.699   12.048  131.558   10.931  195.344   11.414  217.465   9.3023 -22.12076 14.72433 
1 1 1   17   23   40 o   76.189   14.843   18.649   6.2687   19.808   9.5037   17.756   8.3403   77.893   21.747   74.486   20.208 3.407509 29.68686 
1 1 1   17   23   41 o  255.120   9.0108  181.758   12.422   0.0000   0.0000  181.758   12.422  ?   ?   255.120   9.0108      ?      ? 
1 1 1   17   23   42 f   52.611   14.837   6.8726   6.3043   8.0585   9.5847   5.9682   8.3696   54.931   21.749   50.291   20.187 4.640434 29.67352 
1 1 1   17   23   43 o  156.716   8.6243   71.757   7.1369   60.175   10.631   81.260   9.6296  143.812   13.680  169.620   10.506 -25.80821 17.24864 
1 1 1   17   23   44 o   52.794   13.627   6.0054   6.1388  -6.2563   9.4969   14.806   8.0455   38.566   18.080   67.022   20.393 -28.45509 27.25424 
1 1 1   17   23   45 o   56.924   13.499   9.9403   5.9835  -1.4538   8.9581   19.119   8.0401   40.160   18.377   73.688   19.778 -33.52838 26.99806 
1 1 1   17   23   46 o   50.319   14.430   6.6516   6.1634   4.7161   9.2340   8.2066   8.2769   48.231   20.443   52.406   20.370 -4.174603 28.85915 
1 1 1   17   23   47 o  170.694   7.9284   85.332   7.2346   85.549   11.041   85.168   9.5772  169.885   12.027  171.503   10.334 -1.618637 15.85689 
1 1 1   17   24    0 o   80.848   15.031   18.419   7.0518   9.7397   9.8062   27.715   10.148   63.332   22.640   98.364   19.778 -35.03177 30.06243 
1 1 1   17   24    1 o   71.722   16.114   14.134   7.0827   16.711   9.9882   11.528   10.045   76.634   22.586   66.809   22.989 9.824425 32.22769 
1 1 1   17   24    3 o  112.887   12.567   35.632   7.3371   26.979   10.039   45.552   10.750   96.974   19.827  128.801   15.445 -31.82633 25.13309 
1 1 1   17   24    4 o   45.671   14.115  -2.1653   6.7358   1.4417   9.1279  -6.4778   9.9809   48.987   20.520   42.355   19.388 6.632832 28.23019 
1 1 1   17   24    5 o  201.931   10.994  111.124   11.996   0.0000   0.0000  111.124   11.996  ?   ?   201.931   10.994      ?      ? 
1 1 1   17   24    6 o  152.142   12.955   63.314   10.651   63.314   10.651   0.0000   0.0000  152.142   12.955  ?   ?       ?      ? 
1 1 1   17   24    7 o  227.785   6.7640  135.694   7.9060  158.491   13.934  124.871   9.6010  241.150   10.693  214.421   8.2863 26.72864 13.52791 
1 1 1   17   24    8 o  188.497   7.6727   96.079   7.5388   99.977   12.533   93.868   9.4368  191.250   12.128  185.743   9.4021 5.507278 15.34542 
1 1 1   17   24    9 o  246.203   7.3378  164.505   9.7623   0.0000   0.0000  164.505   9.7623  ?   ?   246.203   7.3378      ?      ? 
1 1 1   17   24   10 o  122.554   11.699   41.060   7.7477   0.0000   0.0000   41.060   7.7477  ?   ?   122.554   11.699      ?      ? 
1 1 1   17   24   11 o  236.041   8.4917  151.510   10.831   0.0000   0.0000  151.510   10.831  ?   ?   236.041   8.4917      ?      ? 
1 1 1   17   24   12 o  167.853   8.6420   76.651   7.8385   0.0000   0.0000   76.651   7.8385  ?   ?   167.853   8.6420      ?      ? 
1 1 1   17   24   13 o  250.757   7.7052  170.847   10.441   0.0000   0.0000  170.847   10.441  ?   ?   250.757   7.7052      ?      ? 
1 1 1   17   24   14 o   41.642   17.582   0.6953   6.7882   0.0000   0.0000   0.6953   6.7882  ?   ?    41.642   17.582      ?      ? 
1 1 1   17   24   15 o  196.465   9.2726  105.186   9.8441   0.0000   0.0000  105.186   9.8441  ?   ?   196.465   9.2726      ?      ? 
1 1 1   17   24   16 o  236.427   8.6130  152.188   11.004   0.0000   0.0000  152.188   11.004  ?   ?   236.427   8.6130      ?      ? 
1 1 1   17   24   17 o  115.693   11.128   36.653   6.9568   0.0000   0.0000   36.653   6.9568  ?   ?   115.693   11.128      ?      ? 
1 1 1   17   24   18 o   80.570   15.664   18.613   6.5742   0.0000   0.0000   18.613   6.5742  ?   ?    80.570   15.664      ?      ? 
1 1 1   17   24   19 o  185.390   7.7395   93.567   7.7533   0.0000   0.0000   93.567   7.7533  ?   ?   185.390   7.7395      ?      ? 
1 1 1   17   24   20 o  109.590   11.494   33.023   6.8067   0.0000   0.0000   33.023   6.8067  ?   ?   109.590   11.494      ?      ? 
1 1 1   17   24   21 o  108.299   11.793   32.301   6.9016   0.0000   0.0000   32.301   6.9016  ?   ?   108.299   11.793      ?      ? 
1 1 1   17   24   22 o  171.353   8.2423   80.108   7.6318   0.0000   0.0000   80.108   7.6318  ?   ?   171.353   8.2423      ?      ? 
1 1 1   17   24   23 o  180.237   7.9607   88.610   7.7532   0.0000   0.0000   88.610   7.7532  ?   ?   180.237   7.9607      ?      ? 
1 1 1   17   24   24 o  105.296   11.509   30.601   6.5486   0.0000   0.0000   30.601   6.5486  ?   ?   105.296   11.509      ?      ? 
1 1 1   17   24   25 o   47.198   17.657   5.0584   6.0684   0.0000   0.0000   5.0584   6.0684  ?   ?    47.198   17.657      ?      ? 
1 1 1   17   24   26 o  185.632   7.8436   94.166   7.8678   0.0000   0.0000   94.166   7.8678  ?   ?   185.632   7.8436      ?      ? 
1 1 1   17   24   27 f  214.590   7.2066  125.664   8.3566   0.0000   0.0000  125.664   8.3566  ?   ?   214.590   7.2066      ?      ? 
1 1 1   17   24   28 f   48.677   17.905   5.7656   6.1906   0.0000   0.0000   5.7656   6.1906  ?   ?    48.677   17.905      ?      ? 
1 1 1   17   24   29 o   91.782   12.506   23.549   6.2027   0.0000   0.0000   23.549   6.2027  ?   ?    91.782   12.506      ?      ? 
1 1 1   17   24   30 o   54.343   18.831   8.0910   6.7458   0.0000   0.0000   8.0910   6.7458  ?   ?    54.343   18.831      ?      ? 
1 1 1   17   24   31 o  163.411   11.902   74.617   10.510   0.0000   0.0000   74.617   10.510  ?   ?   163.411   11.902      ?      ? 
1 1 1   17   24   32 o   63.529   14.105   12.393   5.1701   9.3198   10.156   13.468   6.0067   60.077   22.763   66.981   16.664 -6.904144 28.21034 
1 1 1   17   24   33 o  109.910   11.203   30.624   5.5989   43.536   12.483   27.372   6.2644  121.020   19.088   98.800   11.734 22.22019 22.40605 
1 1 1   17   24   34 o   87.069   12.571   14.920   5.2094   43.581   11.855   8.0615   5.7994  121.315   18.084   52.824   17.466 68.49092 25.14173 
1 1 1   17   24   35 o  115.251   12.089   38.182   7.2769   42.365   12.154   35.846   9.0852  119.039   18.895  111.462   15.084 7.577980 24.17766 
1 1 1   17   24   36 o   59.710   15.246   9.5873   6.3738   14.049   9.6576   6.1442   8.4839   67.231   22.549   52.189   20.526 15.04167 30.49175 
1 1 1   17   24   37 o  149.836   9.0602   64.192   7.2985   62.724   10.793   65.430   9.9072  147.806   13.513  151.866   12.073 -4.060822 18.12050 
1 1 1   17   24   38 o   97.167   13.287   29.779   6.7321   22.899   9.8771   35.748   9.2001   83.847   21.650  110.486   15.410 -26.63907 26.57414 
1 1 1   17   24   39 o  111.795   12.283   38.818   7.0690   32.251   10.373   44.513   9.6594  100.406   19.822  123.184   14.511 -22.77812 24.56568 
1 1 1   17   24   40 f   64.516   14.599   11.622   6.5441   23.583   9.8439   2.1492   8.7602   83.548   21.634   45.485   19.609 38.06274 29.19781 
1 1 1   17   24   41 o   67.002   15.324   14.481   6.9281   6.2817   10.167   21.588   9.4661   53.438   21.951   80.565   21.387 -27.12688 30.64714 
1 1 1   17   24   42 o  102.979   13.445   35.485   7.1042   18.087   10.220   51.751   9.8820   72.761   23.121  133.197   13.730 -60.43563 26.89008 
1 1 1   17   24   43 o   69.876   15.154   17.843   6.7352   10.618   9.8699   24.139   9.2139   56.787   22.197   82.964   20.638 -26.17648 30.30835 
1 1 1   17   24   44 o  111.974   11.837   40.285   6.8659   35.755   10.163   44.088   9.3125  103.559   18.855  120.388   14.315 -16.82825 23.67387 
1 1 1   17   24   45 o   78.019   15.023   21.483   6.4785   24.934   9.8272   18.831   8.6159   83.304   21.637   72.735   20.847 10.56901 30.04595 
1 1 1   17   24   46 o   78.848   14.444   23.592   6.4695   16.732   9.6666   29.158   8.7068   65.170   22.545   92.526   18.063 -27.35668 28.88790 
1 1 1   17   25    0 o  293.818   9.6734  235.217   15.358   0.0000   0.0000  235.217   15.358  ?   ?   293.818   9.6734      ?      ? 
1 1 1   17   25    1 o  246.588   10.666  165.985   14.212  165.985   14.212   0.0000   0.0000  246.588   10.666  ?   ?       ?      ? 
1 1 1   17   25    2 o  112.848   11.953   35.352   7.2791   33.754   10.387   36.894   10.204  110.246   17.436  115.449   16.356 -5.203026 23.90666 
1 1 1   17   25    3 o  196.212   8.0564  105.172   8.5358   99.747   11.891  110.938   12.260  190.971   11.523  201.454   11.262 -10.48276 16.11285 
1 1 1   17   25    4 o  206.289   7.8194  116.266   8.6894  128.774   12.463  104.436   12.121  217.173   10.621  195.405   11.479 21.76825 15.63882 
1 1 1   17   25    5 o  175.272   8.3049   83.795   7.8521   78.227   10.755   90.150   11.491  169.053   11.773  181.491   11.716 -12.43777 16.60989 
1 1 1   17   25    6 o  138.072   8.8000   50.128   6.4156   63.086   10.531   42.479   8.0903  151.612   12.854  124.532   12.023 27.07999 17.60010 
1 1 1   17   25    7 o  182.535   7.4322   90.535   7.0251   92.568   11.809   89.421   8.7400  183.844   11.887  181.227   8.9248 2.617416 14.86432 
1 1 1   17   25    8 o   75.527   14.250   16.755   5.9329   14.590   9.0305   18.398   7.8695   71.405   21.579   79.650   18.618 -8.244209 28.50056 
1 1 1   17   25    9 o  361.533   8.6821  355.815   16.961   0.0000   0.0000  355.815   16.961  ?   ?   361.533   8.6821      ?      ? 
1 1 1   17   25   10 o  230.733   7.2186  144.608   9.0002   0.0000   0.0000  144.608   9.0002  ?   ?   230.733   7.2186      ?      ? 
1 1 1   17   25   11 o  211.423   7.8575  121.557   8.9768   0.0000   0.0000  121.557   8.9768  ?   ?   211.423   7.8575      ?      ? 
1 1 1   17   25   12 o  101.835   12.884   28.530   7.0898   0.0000   0.0000   28.530   7.0898  ?   ?   101.835   12.884      ?      ? 
1 1 1   17   25   13 o  180.913   8.4633   89.162   8.2737   0.0000   0.0000   89.162   8.2737  ?   ?   180.913   8.4633      ?      ? 
1 1 1   17   25   14 o  130.272   10.463   46.471   7.3656   0.0000   0.0000   46.471   7.3656  ?   ?   130.272   10.463      ?      ? 
1 1 1   17   25   15 o  270.021   7.6096  198.477   11.103   0.0000   0.0000  198.477   11.103  ?   ?   270.021   7.6096      ?      ? 
1 1 1   17   25   16 o   66.883   18.309   13.045   6.8104   0.0000   0.0000   13.045   6.8104  ?   ?    66.883   18.309      ?      ? 
1 1 1   17   25   17 o   77.016   16.659   17.232   6.7315   0.0000   0.0000   17.232   6.7315  ?   ?    77.016   16.659      ?      ? 
1 1 1   17   25   18 o   76.511   16.324   16.992   6.5433   0.0000   0.0000   16.992   6.5433  ?   ?    76.511   16.324      ?      ? 
1 1 1   17   25   19 o  154.854   9.0670   65.580   7.5870   0.0000   0.0000   65.580   7.5870  ?   ?   154.854   9.0670      ?      ? 
1 1 1   17   25   20 o   68.429   17.875   13.765   6.6822   0.0000   0.0000   13.765   6.6822  ?   ?    68.429   17.875      ?      ? 
1 1 1   17   25   21 o  166.660   8.3254   75.924   7.4977   0.0000   0.0000   75.924   7.4977  ?   ?   166.660   8.3254      ?      ? 
1 1 1   17   25   22 f  137.286   9.4145   51.738   6.9841   0.0000   0.0000   51.738   6.9841  ?   ?   137.286   9.4145      ?      ? 
1 1 1   17   25   23 o   99.633   11.963   27.535   6.4407   0.0000   0.0000   27.535   6.4407  ?   ?    99.633   11.963      ?      ? 
1 1 1   17   25   24 o   35.325   15.777  -2.0175   6.1456   0.0000   0.0000  -2.0175   6.1456  ?   ?    35.325   15.777      ?      ? 
1 1 1   17   25   25 o  265.778   8.1330  193.491   11.680   0.0000   0.0000  193.491   11.680  ?   ?   265.778   8.1330      ?      ? 
1 1 1   17   25   26 o   91.644   12.934   23.530   6.4053   0.0000   0.0000   23.530   6.4053  ?   ?    91.644   12.934      ?      ? 
1 1 1   17   25   27 o  124.443   9.7908   42.742   6.5838   0.0000   0.0000   42.742   6.5838  ?   ?   124.443   9.7908      ?      ? 
1 1 1   17   25   28 o   84.550   13.580   20.153   6.2046   0.0000   0.0000   20.153   6.2046  ?   ?    84.550   13.580      ?      ? 
1 1 1   17   25   29 o  204.996   8.3612  115.545   9.2620   0.0000   0.0000  115.545   9.2620  ?   ?   204.996   8.3612      ?      ? 
1 1 1   17   25   30 o  117.384   12.221   38.715   7.7518   0.0000   0.0000   38.715   7.7518  ?   ?   117.384   12.221      ?      ? 
1 1 1   17   25   31 o   93.429   14.541   24.997   7.3412   0.0000   0.0000   24.997   7.3412  ?   ?    93.429   14.541      ?      ? 
1 1 1   17   25   32 o   54.077   21.455   6.4781   9.3456   0.0000   0.0000   6.4781   9.3456  ?   ?    54.077   21.455      ?      ? 
1 1 1   17   25   33 o   49.824   12.073   5.2536   5.3249 -18.6667   10.847   12.849   6.1121   34.655   16.995   64.993   17.153 -30.33767 24.14648 
1 1 1   17   25   34 o  178.950   8.2979   87.949   6.8626   94.887   14.134   85.809   7.8500  181.562   14.407  176.338   8.2382 5.223938 16.59578 
1 1 1   17   25   35 o  156.057   9.2611   68.532   6.5165   71.892   13.756   67.560   7.3995  156.060   16.312  156.055   8.7748 0.4745483E-02 18.52227 
1 1 1   17   25   36 o  194.208   8.7037  106.252   8.8256  111.960   14.614  102.975   11.073  197.061   13.724  191.356   10.709 5.704529 17.40744 
1 1 1   17   25   37 f   77.463   15.318   20.197   6.8497   14.985   9.7990   25.177   9.5786   67.182   22.712   87.743   20.562 -20.56090 30.63689 
1 1 1   17   25   38 o   72.291   15.649   17.719   6.7391   20.666   9.6979   14.966   9.3715   77.842   22.052   66.739   22.210 11.10363 31.29785 
1 1 1   17   25   39 o   72.239   15.135   17.418   7.1282   6.8013   10.581   26.238   9.6450   54.647   22.415   89.830   20.342 -35.18299 30.26923 
1 1 1   17   25   40 o  102.071   13.492   32.717   7.2415   39.280   10.527   26.823   9.9768  113.773   17.123   90.369   20.855 23.40444 26.98370 
1 1 1   17   25   41 o   63.489   14.309   13.031   6.8970  -1.1276   10.383   24.210   9.2265   43.549   19.873   83.429   20.591 -39.88024 28.61727 
1 1 1   17   25   42 o  120.747   10.861   45.512   7.0373   41.752   10.195   48.933   9.7259  114.822   16.431  126.672   14.209 -11.84983 21.72295 
1 1 1   17   25   43 o   98.835   13.317   32.334   6.8232   33.270   10.184   31.572   9.1908   99.328   19.670   98.343   17.957 0.9853363 26.63404 
1 1 1   17   25   44 o   43.665   13.489   0.2952   6.2180   9.4880   9.6899  -6.1402   8.1074   53.451   21.627   33.879   16.127 19.57222 26.97777 
1 1 1   17   26    0 o  189.960   11.941   98.981   12.257   98.981   12.257   0.0000   0.0000  189.960   11.941  ?   ?       ?      ? 
1 1 1   17   26    1 o  171.781   8.8630   81.081   8.2135   87.247   11.719   75.127   11.515  178.284   12.164  165.278   12.894 13.00594 17.72591 
1 1 1   17   26    2 o  127.589   11.068   45.147   7.6184   41.803   10.663   48.634   10.889  122.670   16.086  132.509   15.207 -9.838280 22.13633 
1 1 1   17   26    4 o  258.676   9.9780  182.817   13.947   0.0000   0.0000  182.817   13.947  ?   ?   258.676   9.9780      ?      ? 
1 1 1   17   26    5 o  164.908   8.7748   75.664   7.6839   91.026   10.827   60.078   10.906  182.283   10.992  147.533   13.680 34.75000 17.54959 
1 1 1   17   26    6 o  251.392   6.8551  170.557   8.8007  179.099   15.332  166.359   10.748  255.597   11.101  247.188   8.0463 8.409149 13.71026 
1 1 1   17   26    7 o  110.494   10.514   33.439   6.0892   35.721   10.033   32.108   7.6615  113.118   16.415  107.870   13.144 5.247787 21.02865 
1 1 1   17   26    8 o  181.426   15.956   91.817   15.643   0.0000   0.0000   91.817   15.643  ?   ?   181.426   15.956      ?      ? 
1 1 1   17   26    9 o  119.598   11.183   39.281   7.2271   0.0000   0.0000   39.281   7.2271  ?   ?   119.598   11.183      ?      ? 
1 1 1   17   26   10 o   78.264   17.319   17.837   7.1305   0.0000   0.0000   17.837   7.1305  ?   ?    78.264   17.319      ?      ? 
1 1 1   17   26   11 f  162.546   8.8124   72.146   7.7403   0.0000   0.0000   72.146   7.7403  ?   ?   162.546   8.8124      ?      ? 
1 1 1   17   26   12 o  104.354   12.433   30.058   7.0110   0.0000   0.0000   30.058   7.0110  ?   ?   104.354   12.433      ?      ? 
1 1 1   17   26   13 o  142.041   9.7410   55.252   7.4766   0.0000   0.0000   55.252   7.4766  ?   ?   142.041   9.7410      ?      ? 
1 1 1   17   26   14 o  157.667   9.0488   67.973   7.7093   0.0000   0.0000   67.973   7.7093  ?   ?   157.667   9.0488      ?      ? 
1 1 1   17   26   15 o   80.565   16.339   18.843   6.8696   0.0000   0.0000   18.843   6.8696  ?   ?    80.565   16.339      ?      ? 
1 1 1   17   26   16 o  158.458   9.0653   68.735   7.7622   0.0000   0.0000   68.735   7.7622  ?   ?   158.458   9.0653      ?      ? 
1 1 1   17   26   17 o   46.763   18.018   4.4602   6.4325   0.0000   0.0000   4.4602   6.4325  ?   ?    46.763   18.018      ?      ? 
1 1 1   17   26   18 o  149.057   9.4940   61.006   7.6469   0.0000   0.0000   61.006   7.6469  ?   ?   149.057   9.4940      ?      ? 
1 1 1   17   26   19 o   57.500   18.441   9.4133   6.4904   0.0000   0.0000   9.4133   6.4904  ?   ?    57.500   18.441      ?      ? 
1 1 1   17   26   20 o  111.284   13.979   34.706   8.4059   0.0000   0.0000   34.706   8.4059  ?   ?   111.284   13.979      ?      ? 
1 1 1   17   26   21 o  131.859   10.071   47.934   7.1755   0.0000   0.0000   47.934   7.1755  ?   ?   131.859   10.071      ?      ? 
1 1 1   17   26   22 o   42.830   17.266   2.8676   6.1518   0.0000   0.0000   2.8676   6.1518  ?   ?    42.830   17.266      ?      ? 
1 1 1   17   26   23 o   96.006   12.795   25.809   6.6381   0.0000   0.0000   25.809   6.6381  ?   ?    96.006   12.795      ?      ? 
1 1 1   17   26   24 o  171.625   8.0650   80.752   7.4795   0.0000   0.0000   80.752   7.4795  ?   ?   171.625   8.0650      ?      ? 
1 1 1   17   26   25 o  105.429   11.808   31.024   6.7271   0.0000   0.0000   31.024   6.7271  ?   ?   105.429   11.808      ?      ? 
1 1 1   17   26   26 o   44.856   17.536   4.0670   6.1612   0.0000   0.0000   4.0670   6.1612  ?   ?    44.856   17.536      ?      ? 
1 1 1   17   26   27 o  144.862   9.0656   57.935   7.0964   0.0000   0.0000   57.935   7.0964  ?   ?   144.862   9.0656      ?      ? 
1 1 1   17   26   28 o   92.479   12.915   24.185   6.4538   0.0000   0.0000   24.185   6.4538  ?   ?    92.479   12.915      ?      ? 
1 1 1   17   26   29 o  123.874   10.083   42.704   6.7491   0.0000   0.0000   42.704   6.7491  ?   ?   123.874   10.083      ?      ? 
1 1 1   17   26   30 o  172.348   8.1351   81.840   7.5763   0.0000   0.0000   81.840   7.5763  ?   ?   172.348   8.1351      ?      ? 
1 1 1   17   26   31 o  103.300   13.805   30.493   7.7057   0.0000   0.0000   30.493   7.7057  ?   ?   103.300   13.805      ?      ? 
1 1 1   17   26   32 o  105.352   11.970   31.427   6.8142   0.0000   0.0000   31.427   6.8142  ?   ?   105.352   11.970      ?      ? 
1 1 1   17   26   33 o  166.284   11.435   78.141   10.275   0.0000   0.0000   78.141   10.275  ?   ?   166.284   11.435      ?      ? 
1 1 1   17   26   34 o   52.855   14.938   5.0283   5.6650   11.577   11.550   2.9541   6.5006   62.935   24.172   42.774   17.559 20.16024 29.87666 
1 1 1   17   26   35 o  117.794   12.453   45.918   6.1193   36.622   12.490   48.854   7.0194  103.890   22.869  131.697   9.8635 -27.80700 24.90516 
1 1 1   17   26   36 o  161.457   9.5824   77.616   6.9753   72.703   14.219   79.173   8.0047  154.552   17.026  168.362   8.7986 -13.81018 19.16477 
1 1 1   17   26   37 o  140.525   11.657   58.801   8.4787   61.059   14.206   57.551   10.567  140.580   18.701  140.469   13.922 0.1113434 23.31375 
1 1 1   17   26   38 o   77.811   15.488   19.915   7.1865   29.524   10.603   11.751   9.7737   94.421   21.290   61.200   22.500 33.22068 30.97643 
1 1 1   17   26   39 o  146.990   10.187   66.763   7.8383   50.327   11.183   82.637   10.990  126.499   16.360  167.482   12.143 -40.98355 20.37405 
1 1 1   17   26   40 o   51.869   14.766   6.7105   6.6711   13.078   9.6364   0.8502   9.2445   60.486   22.325   43.251   19.331 17.23488 29.53127 
1 1 1   17   26   41 o  165.157   11.835   79.793   10.562   0.0000   0.0000   79.793   10.562  ?   ?   165.157   11.835      ?      ? 
1 1 1   17   26   42 o   40.611   13.145  -0.8771   6.4895  -1.2274   9.2530  -0.5380   9.1040   40.412   18.560   40.811   18.618 -0.3990479 26.28929 
1 1 1   17   27    0 o  114.444   36.924   42.950   25.990   42.950   25.990   0.0000   0.0000  114.444   36.924  ?   ?       ?      ? 
1 1 1   17   27    1 f  126.702   15.955   44.911   10.923   0.0000   0.0000   44.911   10.923  ?   ?   126.702   15.955      ?      ? 
1 1 1   17   27    2 o   65.929   16.043   11.405   6.9596   8.3247   9.3184   15.292   10.466   59.102   21.926   72.755   23.427 -13.65344 32.08649 
1 1 1   17   27    3 o  169.933   12.719   79.802   11.679   0.0000   0.0000   79.802   11.679  ?   ?   169.933   12.719      ?      ? 
1 1 1   17   27    4 o  152.164   9.1652   63.418   7.4977   56.326   10.060   72.277   11.245  142.667   13.050  161.662   12.873 -18.99477 18.33034 
1 1 1   17   27    5 o   39.936   12.623  -6.6595   5.6510   3.2365   9.2734 -12.5050   7.1272   50.997   20.958   28.874   14.077 22.12348 25.24699 
1 1 1   17   27    6 o  227.073   7.1584  136.831   8.3725  156.396   14.573  127.192   10.229  238.381   11.314  215.764   8.7734 22.61653 14.31672 
1 1 1   17   27    7 o  128.402   12.167   45.522   8.4422   0.0000   0.0000   45.522   8.4422  ?   ?   128.402   12.167      ?      ? 
1 1 1   17   27    8 f  192.652   8.8421  101.464   9.2048   0.0000   0.0000  101.464   9.2048  ?   ?   192.652   8.8421      ?      ? 
1 1 1   17   27    9 o   70.932   18.797   14.847   7.3205   0.0000   0.0000   14.847   7.3205  ?   ?    70.932   18.797      ?      ? 
1 1 1   17   27   10 o  113.509   12.544   35.694   7.6944   0.0000   0.0000   35.694   7.6944  ?   ?   113.509   12.544      ?      ? 
1 1 1   17   27   11 o   91.604   14.932   23.522   7.3911   0.0000   0.0000   23.522   7.3911  ?   ?    91.604   14.932      ?      ? 
1 1 1   17   27   12 o  126.079   10.985   43.859   7.4842   0.0000   0.0000   43.859   7.4842  ?   ?   126.079   10.985      ?      ? 
1 1 1   17   27   13 o   94.503   13.794   24.965   7.0439   0.0000   0.0000   24.965   7.0439  ?   ?    94.503   13.794      ?      ? 
1 1 1   17   27   14 o   42.872   17.713   2.0400   6.6702   0.0000   0.0000   2.0400   6.6702  ?   ?    42.872   17.713      ?      ? 
1 1 1   17   27   15 o   71.051   18.367   15.033   7.1034   0.0000   0.0000   15.033   7.1034  ?   ?    71.051   18.367      ?      ? 
1 1 1   17   27   16 o   54.628   18.834   8.0903   6.7436   0.0000   0.0000   8.0903   6.7436  ?   ?    54.628   18.834      ?      ? 
1 1 1   17   27   17 o   48.416   18.115   5.4611   6.3876   0.0000   0.0000   5.4611   6.3876  ?   ?    48.416   18.115      ?      ? 
1 1 1   17   27   18 o   37.542   16.448  -0.8155   6.3757   0.0000   0.0000  -0.8155   6.3757  ?   ?    37.542   16.448      ?      ? 
1 1 1   17   27   19 o   66.133   18.372   13.110   6.8004   0.0000   0.0000   13.110   6.8004  ?   ?    66.133   18.372      ?      ? 
1 1 1   17   27   20 o   57.569   18.436   9.5949   6.4886   0.0000   0.0000   9.5949   6.4886  ?   ?    57.569   18.436      ?      ? 
1 1 1   17   27   21 o   52.533   18.489   7.4123   6.5152   0.0000   0.0000   7.4123   6.5152  ?   ?    52.533   18.489      ?      ? 
1 1 1   17   27   22 o  117.402   11.092   38.365   7.0368   0.0000   0.0000   38.365   7.0368  ?   ?   117.402   11.092      ?      ? 
1 1 1   17   27   23 o  142.574   9.3019   56.149   7.1664   0.0000   0.0000   56.149   7.1664  ?   ?   142.574   9.3019      ?      ? 
1 1 1   17   27   24 o   77.583   16.200   17.953   6.5723   0.0000   0.0000   17.953   6.5723  ?   ?    77.583   16.200      ?      ? 
1 1 1   17   27   25 o  168.313   8.2858   78.026   7.5360   0.0000   0.0000   78.026   7.5360  ?   ?   168.313   8.2858      ?      ? 
1 1 1   17   27   26 o   30.276   14.375  -6.9134   6.3624   0.0000   0.0000  -6.9134   6.3624  ?   ?    30.276   14.375      ?      ? 
1 1 1   17   27   27 o  195.248   7.6028  104.775   8.0213   0.0000   0.0000  104.775   8.0213  ?   ?   195.248   7.6028      ?      ? 
1 1 1   17   27   28 o  116.110   10.860   37.718   6.8135   0.0000   0.0000   37.718   6.8135  ?   ?   116.110   10.860      ?      ? 
1 1 1   17   27   29 o  149.641   9.1392   62.160   7.3900   0.0000   0.0000   62.160   7.3900  ?   ?   149.641   9.1392      ?      ? 
1 1 1   17   27   30 o  157.210   8.7551   68.569   7.4375   0.0000   0.0000   68.569   7.4375  ?   ?   157.210   8.7551      ?      ? 
1 1 1   17   27   31 o   50.928   18.654   7.0528   6.7090   0.0000   0.0000   7.0528   6.7090  ?   ?    50.928   18.654      ?      ? 
1 1 1   17   27   32 o   73.147   19.168   17.210   7.6679   0.0000   0.0000   17.210   7.6679  ?   ?    73.147   19.168      ?      ? 
1 1 1   17   27   33 o   47.853   18.078   6.1045   6.3933   0.0000   0.0000   6.1045   6.3933  ?   ?    47.853   18.078      ?      ? 
1 1 1   17   27   34 o  142.070   9.9599   56.815   7.6462   0.0000   0.0000   56.815   7.6462  ?   ?   142.070   9.9599      ?      ? 
1 1 1   17   27   35 o   98.643   14.421   38.965   6.7163   16.590   13.847   45.849   7.6803   70.209   26.585  127.076   11.185 -56.86698 28.84160 
1 1 1   17   27   36 o   76.213   14.044   22.219   6.3535   7.2523   13.111   26.813   7.2633   57.118   24.290   95.308   14.103 -38.19003 28.08776 
1 1 1   17   27   37 o   80.175   15.980   22.734   6.3947   27.613   13.868   21.417   7.2067   79.716   27.019   80.635   17.071 -0.9186859 31.96027 
1 1 1   17   27   38 o   49.179   15.078   1.8732   7.4861   11.590   11.890  -4.5076   9.6355   59.151   23.949   39.206   18.327 19.94439 30.15619 
1 1 1   17   27   39 o   59.693   15.632   12.195   6.9193   7.7155   9.9107   16.455   9.6647   52.605   21.648   66.780   22.556 -14.17445 31.26386 
1 1 1   17   27   40 o   51.702   15.082   8.2688   6.8441   7.1147   9.7919   9.3712   9.5699   50.229   21.157   53.175   21.500 -2.946541 30.16445 
1 1 1   17   28    0 o  247.283   19.719  176.441   26.349   0.0000   0.0000  176.441   26.349  ?   ?   247.283   19.719      ?      ? 
1 1 1   17   28    1 o   66.371   21.319  -5.6458   16.380  -2.1520   25.489  -8.1036   21.378   70.939   31.874   61.804   28.321 9.135406 42.63889 
1 1 1   17   28    2 o  111.051   25.467   41.718   17.489   48.716   25.903   35.856   23.708  118.446   36.691  103.657   35.327 14.78933 50.93304 
1 1 1   17   28    3 o  105.411   22.690   32.026   17.724  -5.1577   25.534   66.599   24.622   69.032   31.372  141.791   32.789 -72.75852 45.37971 
1 1 1   17   28    5 o  169.305   9.7762   78.806   8.9439   0.0000   0.0000   78.806   8.9439  ?   ?   169.305   9.7762      ?      ? 
1 1 1   17   28    6 o   68.663   14.350   14.318   5.8169   10.187   9.1850   17.084   7.5162   61.601   21.923   75.726   18.521 -14.12500 28.69953 
1 1 1   17   28    7 o   43.540   18.221   1.6473   7.1884   0.0000   0.0000   1.6473   7.1884  ?   ?    43.540   18.221      ?      ? 
1 1 1   17   28    8 o   87.411   16.483   22.309   7.4999   0.0000   0.0000   22.309   7.4999  ?   ?    87.411   16.483      ?      ? 
1 1 1   17   28    9 o   49.323   18.674   5.4603   6.8311   0.0000   0.0000   5.4603   6.8311  ?   ?    49.323   18.674      ?      ? 
1 1 1   17   28   10 o  106.104   12.759   31.394   7.3156   0.0000   0.0000   31.394   7.3156  ?   ?   106.104   12.759      ?      ? 
1 1 1   17   28   11 o  196.765   8.1840  106.040   8.7017   0.0000   0.0000  106.040   8.7017  ?   ?   196.765   8.1840      ?      ? 
1 1 1   17   28   12 o   36.315   16.524  -3.5703   7.1131   0.0000   0.0000  -3.5703   7.1131  ?   ?    36.315   16.524      ?      ? 
1 1 1   17   28   13 o   76.772   17.697   17.615   7.1911   0.0000   0.0000   17.615   7.1911  ?   ?    76.772   17.697      ?      ? 
1 1 1   17   28   14 o  228.099   8.9325  143.069   11.010   0.0000   0.0000  143.069   11.010  ?   ?   228.099   8.9325      ?      ? 
1 1 1   17   28   15 o  132.336   10.560   48.500   7.5516   0.0000   0.0000   48.500   7.5516  ?   ?   132.336   10.560      ?      ? 
1 1 1   17   28   16 o  101.941   13.073   29.175   7.2012   0.0000   0.0000   29.175   7.2012  ?   ?   101.941   13.073      ?      ? 
1 1 1   17   28   17 o   50.583   18.627   6.3942   6.7025   0.0000   0.0000   6.3942   6.7025  ?   ?    50.583   18.627      ?      ? 
1 1 1   17   28   18 o   69.453   17.551   14.542   6.5897   0.0000   0.0000   14.542   6.5897  ?   ?    69.453   17.551      ?      ? 
1 1 1   17   28   19 o  120.413   10.702   40.339   6.9637   0.0000   0.0000   40.339   6.9637  ?   ?   120.413   10.702      ?      ? 
1 1 1   17   28   20 o   93.930   13.306   24.973   6.7537   0.0000   0.0000   24.973   6.7537  ?   ?    93.930   13.306      ?      ? 
1 1 1   17   28   21 o  166.671   11.949   78.055   10.762   0.0000   0.0000   78.055   10.762  ?   ?   166.671   11.949      ?      ? 
1 1 1   17   28   22 o  176.857   8.3309   86.225   7.9616   0.0000   0.0000   86.225   7.9616  ?   ?   176.857   8.3309      ?      ? 
1 1 1   17   28   23 o   57.249   18.904   9.6844   6.7941   0.0000   0.0000   9.6844   6.7941  ?   ?    57.249   18.904      ?      ? 
1 1 1   17   28   24 o  150.320   9.7496   62.774   7.9194   0.0000   0.0000   62.774   7.9194  ?   ?   150.320   9.7496      ?      ? 
1 1 1   17   28   25 o   79.394   16.744   19.050   6.9573   0.0000   0.0000   19.050   6.9573  ?   ?    79.394   16.744      ?      ? 
1 1 1   17   28   26 o  109.654   11.713   33.979   6.9404   0.0000   0.0000   33.979   6.9404  ?   ?   109.654   11.713      ?      ? 
1 1 1   17   28   27 o  162.747   8.8187   73.516   7.7554   0.0000   0.0000   73.516   7.7554  ?   ?   162.747   8.8187      ?      ? 
1 1 1   17   28   28 o   82.748   15.640   20.615   6.7370   0.0000   0.0000   20.615   6.7370  ?   ?    82.748   15.640      ?      ? 
1 1 1   17   28   29 o  172.008   8.5718   82.306   7.9673   0.0000   0.0000   82.306   7.9673  ?   ?   172.008   8.5718      ?      ? 
1 1 1   17   28   30 o  115.278   11.641   38.090   7.2512   0.0000   0.0000   38.090   7.2512  ?   ?   115.278   11.641      ?      ? 
1 1 1   17   28   31 o  141.339   18.313   61.731   13.986   0.0000   0.0000   61.731   13.986  ?   ?   141.339   18.313      ?      ? 
1 1 1   17   28   32 o  128.067   13.156   47.450   9.1042   0.0000   0.0000   47.450   9.1042  ?   ?   128.067   13.156      ?      ? 
1 1 1   17   28   33 o   40.664   18.375  -1.9150   8.6123   0.0000   0.0000  -1.9150   8.6123  ?   ?    40.664   18.375      ?      ? 
1 1 1   17   28   34 o   72.757   17.788   17.431   6.9350   0.0000   0.0000   17.431   6.9350  ?   ?    72.757   17.788      ?      ? 
1 1 1   17   28   35 o  132.235   10.214   50.553   7.2983   0.0000   0.0000   50.553   7.2983  ?   ?   132.235   10.214      ?      ? 
1 1 1   17   28   36 o  152.539   9.7595   66.769   6.9068   75.878   14.181   63.936   7.9082  155.308   16.897  149.770   9.7716 5.538010 19.51906 
1 1 1   17   28   37 o  122.561   12.585   50.982   6.5239   44.437   13.179   53.106   7.5084  109.608   22.986  135.515   10.254 -25.90694 25.16904 
1 1 1   17   28   38 o   39.956   12.574   0.1051   5.8652 -15.6306   11.971   5.0757   6.7280   35.757   17.599   44.155   17.965 -8.397087 25.14828 
1 1 1   17   29    0 o   55.356   13.244   2.4207   6.5867   18.189   8.8757 -16.9067   9.8266   77.172   20.809   33.540   16.391 43.63133 26.48898 
1 1 1   17   29    1 o  119.689   12.185   42.303   7.5171   48.630   10.271   35.006   11.031  131.232   14.484  108.147   19.597 23.08424 24.36902 
1 1 1   17   29    2 o  142.091   9.9439   56.999   7.6116   58.640   10.468   55.157   11.087  144.534   13.403  139.649   14.693 4.884766 19.88785 
1 1 1   17   29    3 o   97.854   12.488   27.253   6.2589   31.194   10.413   25.024   7.8315  101.884   19.626   93.824   15.447 8.060234 24.97586 
1 1 1   17   29    4 o  150.937   9.1517   65.521   7.1008   57.523   11.571   70.353   8.9933  142.410   15.036  159.465   10.437 -17.05470 18.30345 
1 1 1   17   29    5 f  108.251   13.756   35.159   7.7669   28.581   11.100   41.470   10.872   96.287   21.836  120.215   16.737 -23.92794 27.51193 
1 1 1   17   29    6 o  130.535   15.125   48.382   10.669   0.0000   0.0000   48.382   10.669  ?   ?   130.535   15.125      ?      ? 
1 1 1   17   29    7 o   67.523   22.865   13.416   9.9311   0.0000   0.0000   13.416   9.9311  ?   ?    67.523   22.865      ?      ? 
1 1 1   17   29    8 o   71.965   22.826   15.782   9.9649   0.0000   0.0000   15.782   9.9649  ?   ?    71.965   22.826      ?      ? 
1 1 1   17   29    9 o   73.479   23.550   16.557   10.586   0.0000   0.0000   16.557   10.586  ?   ?    73.479   23.550      ?      ? 
1 1 1   17   29   10 f  129.007   16.828   47.922   11.731   0.0000   0.0000   47.922   11.731  ?   ?   129.007   16.828      ?      ? 
1 1 1   17   29   11 o   47.871   19.152   4.1667   7.5063   0.0000   0.0000   4.1667   7.5063  ?   ?    47.871   19.152      ?      ? 
1 1 1   17   29   12 o   35.086   16.326  -5.7176   7.5094   0.0000   0.0000  -5.7176   7.5094  ?   ?    35.086   16.326      ?      ? 
1 1 1   17   29   13 o   63.329   19.831   12.046   7.5437   0.0000   0.0000   12.046   7.5437  ?   ?    63.329   19.831      ?      ? 
1 1 1   17   29   14 o  173.961   9.4178   83.665   8.8530   0.0000   0.0000   83.665   8.8530  ?   ?   173.961   9.4178      ?      ? 
1 1 1   17   29   15 o  128.231   10.933   45.856   7.5755   0.0000   0.0000   45.856   7.5755  ?   ?   128.231   10.933      ?      ? 
1 1 1   17   29   16 o   93.834   13.816   25.050   7.0052   0.0000   0.0000   25.050   7.0052  ?   ?    93.834   13.816      ?      ? 
1 1 1   17   29   17 o  178.713   8.4731   88.074   8.1825   0.0000   0.0000   88.074   8.1825  ?   ?   178.713   8.4731      ?      ? 
1 1 1   17   29   18 o  135.565   10.342   51.229   7.5763   0.0000   0.0000   51.229   7.5763  ?   ?   135.565   10.342      ?      ? 
1 1 1   17   29   19 o   50.500   18.611   6.6150   6.6928   0.0000   0.0000   6.6150   6.6928  ?   ?    50.500   18.611      ?      ? 
1 1 1   17   29   20 o   26.856   13.164 -11.8410   6.4844   0.0000   0.0000 -11.8410   6.4844  ?   ?    26.856   13.164      ?      ? 
1 1 1   17   29   21 o   50.348   18.669   6.5210   6.7546   0.0000   0.0000   6.5210   6.7546  ?   ?    50.348   18.669      ?      ? 
1 1 1   17   29   22 o   94.983   14.096   25.967   7.2346   0.0000   0.0000   25.967   7.2346  ?   ?    94.983   14.096      ?      ? 
1 1 1   17   29   23 o   48.710   18.783   5.6829   6.9947   0.0000   0.0000   5.6829   6.9947  ?   ?    48.710   18.783      ?      ? 
1 1 1   17   29   24 o  143.271   9.9511   57.391   7.7040   0.0000   0.0000   57.391   7.7040  ?   ?   143.271   9.9511      ?      ? 
1 1 1   17   29   25 o   34.720   15.997  -3.8795   6.9478   0.0000   0.0000  -3.8795   6.9478  ?   ?    34.720   15.997      ?      ? 
1 1 1   17   29   26 o   51.386   19.037   7.3972   7.0202   0.0000   0.0000   7.3972   7.0202  ?   ?    51.386   19.037      ?      ? 
1 1 1   17   29   27 o   85.954   16.410   22.878   7.3438   0.0000   0.0000   22.878   7.3438  ?   ?    85.954   16.410      ?      ? 
1 1 1   17   29   28 o  130.354   11.081   48.309   7.8051   0.0000   0.0000   48.309   7.8051  ?   ?   130.354   11.081      ?      ? 
1 1 1   17   29   29 o  180.165   9.9465   91.246   9.6834   0.0000   0.0000   91.246   9.6834  ?   ?   180.165   9.9465      ?      ? 
1 1 1   17   29   30 o   31.003   14.895  -8.7880   7.2698   0.0000   0.0000  -8.7880   7.2698  ?   ?    31.003   14.895      ?      ? 
1 1 1   17   29   31 o   26.272   13.016 -14.0203   6.9366   0.0000   0.0000 -14.0203   6.9366  ?   ?    26.272   13.016      ?      ? 
1 1 1   17   29   32 o  113.453   12.381   38.397   7.5905   0.0000   0.0000   38.397   7.5905  ?   ?   113.453   12.381      ?      ? 
1 1 1   17   29   33 o   72.308   20.231   18.169   8.2154   0.0000   0.0000   18.169   8.2154  ?   ?    72.308   20.231      ?      ? 
1 1 1   17   29   34 o  131.619   11.050   50.312   7.8589   0.0000   0.0000   50.312   7.8589  ?   ?   131.619   11.050      ?      ? 
1 1 1   17   29   35 f  106.779   12.146   34.122   7.0082   0.0000   0.0000   34.122   7.0082  ?   ?   106.779   12.146      ?      ? 
1 1 1   17   30    0 o  104.929   14.225   34.724   7.7304   46.017   10.622   22.005   11.272  126.756   15.507   83.102   23.853 43.65426 28.45048 
1 1 1   17   30    1 o  150.497   13.658   64.059   11.107   64.059   11.107   0.0000   0.0000  150.497   13.658  ?   ?       ?      ? 
1 1 1   17   30    2 o   74.946   16.060   17.628   7.0879   18.953   9.6555   16.081   10.438   77.800   21.991   72.091   23.413 5.709282 32.12093 
1 1 1   17   30    3 o  166.288   8.4359   70.706   7.2211  102.590   12.809   55.850   8.7430  191.144   12.401  141.432   11.440 49.71277 16.87185 
1 1 1   17   30    4 o   67.643   15.422   13.592   6.2936   16.007   10.094   12.056   8.0501   71.822   22.994   63.464   20.557 8.357803 30.84336 
1 1 1   17   30    5 o  297.595   8.9720  244.313   14.428   0.0000   0.0000  244.313   14.428  ?   ?   297.595   8.9720      ?      ? 
1 1 1   17   30    6 o  102.393   13.654   29.722   7.5544   0.0000   0.0000   29.722   7.5544  ?   ?   102.393   13.654      ?      ? 
1 1 1   17   30    7 o   74.623   18.871   17.069   7.6143   0.0000   0.0000   17.069   7.6143  ?   ?    74.623   18.871      ?      ? 
1 1 1   17   30    8 o  160.210   9.9572   71.222   8.6202   0.0000   0.0000   71.222   8.6202  ?   ?   160.210   9.9572      ?      ? 
1 1 1   17   30    9 f   92.691   16.559   25.558   7.9898   0.0000   0.0000   25.558   7.9898  ?   ?    92.691   16.559      ?      ? 
1 1 1   17   30   10 o  237.382   8.8556  155.635   11.359   0.0000   0.0000  155.635   11.359  ?   ?   237.382   8.8556      ?      ? 
1 1 1   17   30   11 o   66.130   24.570   12.655   11.710   0.0000   0.0000   12.655   11.710  ?   ?    66.130   24.570      ?      ? 
1 1 1   17   30   12 o   72.612   24.862   16.757   11.743   0.0000   0.0000   16.757   11.743  ?   ?    72.612   24.862      ?      ? 
1 1 1   17   30   13 o   50.476   22.237   0.2588   11.796   0.0000   0.0000   0.2588   11.796  ?   ?    50.476   22.237      ?      ? 
1 1 1   17   30   14 o   98.297   23.027   31.146   12.016   0.0000   0.0000   31.146   12.016  ?   ?    98.297   23.027      ?      ? 
1 1 1   17   30   15 o  134.203   16.911   52.801   12.263   0.0000   0.0000   52.801   12.263  ?   ?   134.203   16.911      ?      ? 
1 1 1   17   30   16 o  129.831   18.308   50.189   12.844   0.0000   0.0000   50.189   12.844  ?   ?   129.831   18.308      ?      ? 
1 1 1   17   30   17 o   45.103   20.794  -5.3453   11.768   0.0000   0.0000  -5.3453   11.768  ?   ?    45.103   20.794      ?      ? 
1 1 1   17   30   18 o  133.126   17.545   52.911   12.621   0.0000   0.0000   52.911   12.621  ?   ?   133.126   17.545      ?      ? 
1 1 1   17   30   19 o   36.404   16.859  -4.8036   7.8645   0.0000   0.0000  -4.8036   7.8645  ?   ?    36.404   16.859      ?      ? 
1 1 1   17   30   20 f   67.097   19.390   14.211   7.4263   0.0000   0.0000   14.211   7.4263  ?   ?    67.097   19.390      ?      ? 
1 1 1   17   30   21 o   54.656   19.894   8.5174   7.6134   0.0000   0.0000   8.5174   7.6134  ?   ?    54.656   19.894      ?      ? 
1 1 1   17   30   22 o   82.887   17.975   21.652   7.8192   0.0000   0.0000   21.652   7.8192  ?   ?    82.887   17.975      ?      ? 
1 1 1   17   30   23 o   49.232   19.304   6.0766   7.4831   0.0000   0.0000   6.0766   7.4831  ?   ?    49.232   19.304      ?      ? 
1 1 1   17   30   24 o   26.984   13.361 -14.9281   7.2688   0.0000   0.0000 -14.9281   7.2688  ?   ?    26.984   13.361      ?      ? 
1 1 1   17   30   25 o   28.431   13.975 -13.4859   7.4710   0.0000   0.0000 -13.4859   7.4710  ?   ?    28.431   13.975      ?      ? 
1 1 1   17   30   26 o  162.923   15.517   78.742   13.661   0.0000   0.0000   78.742   13.661  ?   ?   162.923   15.517      ?      ? 
1 1 1   17   30   27 o   68.229   19.823   15.279   7.7428   0.0000   0.0000   15.279   7.7428  ?   ?    68.229   19.823      ?      ? 
1 1 1   17   30   28 o   51.134   19.475   7.8472   7.4586   0.0000   0.0000   7.8472   7.4586  ?   ?    51.134   19.475      ?      ? 
1 1 1   17   30   29 o  107.325   13.243   34.820   7.6803   0.0000   0.0000   34.820   7.6803  ?   ?   107.325   13.243      ?      ? 
1 1 1   17   30   30 o  105.637   12.934   33.092   7.3829   0.0000   0.0000   33.092   7.3829  ?   ?   105.637   12.934      ?      ? 
1 1 1   17   30   31 o   39.778   17.396   1.1311   7.1035   0.0000   0.0000   1.1311   7.1035  ?   ?    39.778   17.396      ?      ? 
1 1 1   17   30   32 o   67.653   19.184   16.255   7.3360   0.0000   0.0000   16.255   7.3360  ?   ?    67.653   19.184      ?      ? 
1 1 1   17   31    0 o  155.277   9.4906   68.906   7.9223   72.248   10.863   65.108   11.578  159.795   12.581  150.758   14.213 9.037384 18.98112 
1 1 1   17   31    1 o   51.869   15.170   3.2954   7.0103  -0.9145   9.2597   8.9487   10.730   44.205   19.576   59.533   23.179 -15.32747 30.33922 
1 1 1   17   31    2 o  130.677   10.250   47.144   7.0702   58.378   11.626   40.552   8.9062  142.205   15.130  119.149   13.833 23.05662 20.50050 
1 1 1   17   31    3 o   94.766   13.480   26.730   6.4272   30.923   10.898   24.494   7.9586   99.260   20.975   90.271   16.937 8.989021 26.96005 
1 1 1   17   31    4 o   88.325   14.128   23.638   6.3986   27.252   10.635   21.588   8.0107   92.636   21.637   84.014   18.174 8.622307 28.25662 
1 1 1   17   31    5 o  123.592   12.010   43.044   8.0208   0.0000   0.0000   43.044   8.0208  ?   ?   123.592   12.010      ?      ? 
1 1 1   17   31    6 f   74.083   19.740   17.125   8.0451   0.0000   0.0000   17.125   8.0451  ?   ?    74.083   19.740      ?      ? 
1 1 1   17   31    7 o   42.260   18.326   0.3596   7.7432   0.0000   0.0000   0.3596   7.7432  ?   ?    42.260   18.326      ?      ? 
1 1 1   17   31    8 o   50.845   19.397   6.2696   7.4061   0.0000   0.0000   6.2696   7.4061  ?   ?    50.845   19.397      ?      ? 
1 1 1   17   31    9 o   53.830   19.825   7.7545   7.5923   0.0000   0.0000   7.7545   7.5923  ?   ?    53.830   19.825      ?      ? 
1 1 1   17   31   10 o   50.573   19.814   5.8026   7.8788   0.0000   0.0000   5.8026   7.8788  ?   ?    50.573   19.814      ?      ? 
1 1 1   17   31   11 f   91.110   16.384   24.971   7.7698   0.0000   0.0000   24.971   7.7698  ?   ?    91.110   16.384      ?      ? 
1 1 1   17   31   12 o   98.882   14.736   28.386   7.8735   0.0000   0.0000   28.386   7.8735  ?   ?    98.882   14.736      ?      ? 
1 1 1   17   31   13 o   53.989   19.777   8.0952   7.5415   0.0000   0.0000   8.0952   7.5415  ?   ?    53.989   19.777      ?      ? 
1 1 1   17   31   14 o   53.003   19.525   7.6921   7.3651   0.0000   0.0000   7.6921   7.3651  ?   ?    53.003   19.525      ?      ? 
1 1 1   17   31   15 o  126.312   12.173   45.386   8.3084   0.0000   0.0000   45.386   8.3084  ?   ?   126.312   12.173      ?      ? 
1 1 1   17   31   16 o  138.367   11.155   54.146   8.3407   0.0000   0.0000   54.146   8.3407  ?   ?   138.367   11.155      ?      ? 
1 1 1   17   31   17 o   37.559   17.092  -2.6820   7.6124   0.0000   0.0000  -2.6820   7.6124  ?   ?    37.559   17.092      ?      ? 
1 1 1   17   31   18 o  176.663   10.403   88.374   9.9305   0.0000   0.0000   88.374   9.9305  ?   ?   176.663   10.403      ?      ? 
1 1 1   17   31   19 o   73.941   25.729   19.695   12.600   0.0000   0.0000   19.695   12.600  ?   ?    73.941   25.729      ?      ? 
1 1 1   17   31   20 o  113.416   22.100   42.692   13.058   0.0000   0.0000   42.692   13.058  ?   ?   113.416   22.100      ?      ? 
1 1 1   17   31   21 o   41.831   19.882  -9.9311   12.229   0.0000   0.0000  -9.9311   12.229  ?   ?    41.831   19.882      ?      ? 
1 1 1   17   31   24 f  102.512   22.905   37.194   12.368   0.0000   0.0000   37.194   12.368  ?   ?   102.512   22.905      ?      ? 
1 1 1   17   31   25 o   38.149   18.466 -10.9793   11.688   0.0000   0.0000 -10.9793   11.688  ?   ?    38.149   18.466      ?      ? 
1 1 1   17   31   26 o  121.057   19.760   49.269   12.926   0.0000   0.0000   49.269   12.926  ?   ?   121.057   19.760      ?      ? 
1 1 1   17   31   27 o   41.508   19.849  -9.1334   12.580   0.0000   0.0000  -9.1334   12.580  ?   ?    41.508   19.849      ?      ? 
1 1 1   17   31   28 o   66.480   26.940   18.313   15.060   0.0000   0.0000   18.313   15.060  ?   ?    66.480   26.940      ?      ? 
1 1 1   17   32    0 o   98.924   14.421   30.205   7.5993   21.397   10.166   41.359   11.440   80.620   22.487  117.228   18.060 -36.60745 28.84137 
1 1 1   17   32    1 o  157.794   9.1647   70.075   7.4723   75.270   12.720   67.338   9.2332  160.991   14.622  154.597   11.053 6.393204 18.32947 
1 1 1   17   32    2 o   57.004   15.473   7.4921   6.6750   13.676   10.729   3.5872   8.5259   66.117   23.677   47.890   19.926 18.22728 30.94563 
1 1 1   17   32    3 o   60.653   15.539   10.905   6.4385   10.297   10.691   11.250   8.0651   60.674   23.267   60.632   20.605 0.4211044E-01 31.07884 
1 1 1   17   32    4 o   55.991   19.938   9.0891   7.5977   0.0000   0.0000   9.0891   7.5977  ?   ?    55.991   19.938      ?      ? 
1 1 1   17   32    5 o   53.648   20.184   7.6892   7.9511   0.0000   0.0000   7.6892   7.9511  ?   ?    53.648   20.184      ?      ? 
1 1 1   17   32    6 o   44.306   18.588   2.5060   7.5095   0.0000   0.0000   2.5060   7.5095  ?   ?    44.306   18.588      ?      ? 
1 1 1   17   32    7 o  187.702   10.370   98.875   10.518   0.0000   0.0000   98.875   10.518  ?   ?   187.702   10.370      ?      ? 
1 1 1   17   32    8 o  123.130   12.486   43.326   8.3076   0.0000   0.0000   43.326   8.3076  ?   ?   123.130   12.486      ?      ? 
1 1 1   17   32    9 f   50.976   19.422   6.7749   7.4197   0.0000   0.0000   6.7749   7.4197  ?   ?    50.976   19.422      ?      ? 
1 1 1   17   32   10 o   83.818   17.325   21.885   7.5877   0.0000   0.0000   21.885   7.5877  ?   ?    83.818   17.325      ?      ? 
1 1 1   17   32   11 o   44.858   18.475   3.6346   7.2256   0.0000   0.0000   3.6346   7.2256  ?   ?    44.858   18.475      ?      ? 
1 1 1   17   32   12 o   35.904   16.538  -3.5981   7.4199   0.0000   0.0000  -3.5981   7.4199  ?   ?    35.904   16.538      ?      ? 
1 1 1   17   32   13 o  103.432   14.076   31.464   7.8673   0.0000   0.0000   31.464   7.8673  ?   ?   103.432   14.076      ?      ? 
1 1 1   17   32   14 o   85.677   18.215   23.260   8.1732   0.0000   0.0000   23.260   8.1732  ?   ?    85.677   18.215      ?      ? 
1 1 1   17   32   15 o   59.428   20.545   11.067   8.0272   0.0000   0.0000   11.067   8.0272  ?   ?    59.428   20.545      ?      ? 
1 1 1   17   32   16 o  106.929   14.998   33.742   8.6658   0.0000   0.0000   33.742   8.6658  ?   ?   106.929   14.998      ?      ? 
1 1 1   17   32   17 o  137.042   11.714   53.577   8.6746   0.0000   0.0000   53.577   8.6746  ?   ?   137.042   11.714      ?      ? 
1 1 1   17   32   18 o   26.185   13.118 -20.2450   7.9205   0.0000   0.0000 -20.2450   7.9205  ?   ?    26.185   13.118      ?      ? 
1 1 1   17   32   19 o   77.550   19.363   19.859   8.0895   0.0000   0.0000   19.859   8.0895  ?   ?    77.550   19.363      ?      ? 
1 1 1   17   32   20 o   61.756   21.070   13.484   8.4341   0.0000   0.0000   13.484   8.4341  ?   ?    61.756   21.070      ?      ? 
1 1 1   17   32   21 o   72.840   22.694   20.353   9.8934   0.0000   0.0000   20.353   9.8934  ?   ?    72.840   22.694      ?      ? 
1 1 1   17   32   22 o   51.947   21.499   7.2422   9.8496   0.0000   0.0000   7.2422   9.8496  ?   ?    51.947   21.499      ?      ? 
1 1 1   17   32   23 o  138.133   14.238   57.572   10.627   0.0000   0.0000   57.572   10.627  ?   ?   138.133   14.238      ?      ? 
1 1 1   17   32   24 o   39.791   18.428  -2.9648   9.3969   0.0000   0.0000  -2.9648   9.3969  ?   ?    39.791   18.428      ?      ? 
1 1 1   17   32   25 o   63.698   22.123   15.543   9.3125   0.0000   0.0000   15.543   9.3125  ?   ?    63.698   22.123      ?      ? 
1 1 1   17   33    0 f   38.117   12.702 -15.2718   6.9344   3.3423   10.860 -28.0848   9.0103   50.366   21.772   25.868   13.089 24.49740 25.40368 
1 1 1   17   33    1 o   66.886   15.398   11.697   6.7746   26.329   11.405   3.7187   8.4213   86.759   23.669   47.013   19.702 39.74557 30.79630 
1 1 1   17   33    2 o   65.030   14.335   7.0192   6.9719   29.775   11.435  -6.4436   8.7957   93.274   22.865   36.785   17.295 56.48880 28.66904 
1 1 1   17   33    3 o   58.810   20.428   10.868   7.9407   0.0000   0.0000   10.868   7.9407  ?   ?    58.810   20.428      ?      ? 
1 1 1   17   33    4 o   31.357   15.315 -13.3182   8.5446   0.0000   0.0000 -13.3182   8.5446  ?   ?    31.357   15.315      ?      ? 
1 1 1   17   33    5 o   65.064   20.934   13.846   8.3584   0.0000   0.0000   13.846   8.3584  ?   ?    65.064   20.934      ?      ? 
1 1 1   17   33    6 o   67.778   20.993   15.127   8.4800   0.0000   0.0000   15.127   8.4800  ?   ?    67.778   20.993      ?      ? 
1 1 1   17   33    7 o   85.589   20.241   23.851   9.2143   0.0000   0.0000   23.851   9.2143  ?   ?    85.589   20.241      ?      ? 
1 1 1   17   33    8 o   81.887   23.444   23.040   10.902   0.0000   0.0000   23.040   10.902  ?   ?    81.887   23.444      ?      ? 
1 1 1   17   33   10 o   83.625   23.110   23.861   10.791   0.0000   0.0000   23.861   10.791  ?   ?    83.625   23.110      ?      ? 
1 1 1   17   33   11 o   98.717   21.064   31.972   10.894   0.0000   0.0000   31.972   10.894  ?   ?    98.717   21.064      ?      ? 
1 1 1   17   33   12 o   41.012   19.018  -4.6605   10.055   0.0000   0.0000  -4.6605   10.055  ?   ?    41.012   19.018      ?      ? 
1 1 1   17   33   13 o  115.375   17.376   41.492   10.833   0.0000   0.0000   41.492   10.833  ?   ?   115.375   17.376      ?      ? 
1 1 1   17   33   14 o   48.678   20.994   4.4282   10.050   0.0000   0.0000   4.4282   10.050  ?   ?    48.678   20.994      ?      ? 
1 1 1   17   33   15 o   37.567   17.990  -8.1149   10.414   0.0000   0.0000  -8.1149   10.414  ?   ?    37.567   17.990      ?      ? 
1 1 1   17   33   16 o  127.240   16.153   51.335   11.106   0.0000   0.0000   51.335   11.106  ?   ?   127.240   16.153      ?      ? 
1 1 1   17   33   17 o   91.714   22.486   30.381   11.058   0.0000   0.0000   30.381   11.058  ?   ?    91.714   22.486      ?      ? 
1 1 1   17   33   18 o  130.820   15.455   52.598   10.925   0.0000   0.0000   52.598   10.925  ?   ?   130.820   15.455      ?      ? 
1 1 1   17   33   19 o   32.561   16.000 -14.9500   9.7704   0.0000   0.0000 -14.9500   9.7704  ?   ?    32.561   16.000      ?      ? 
1 1 1   17   33   20 o   67.432   22.029   17.230   9.2349   0.0000   0.0000   17.230   9.2349  ?   ?    67.432   22.029      ?      ? 
1 1 1   17   33   21 o   47.233   19.371   6.1624   7.9011   0.0000   0.0000   6.1624   7.9011  ?   ?    47.233   19.371      ?      ? 
1 1 1   17   34    0 o   59.127   17.183   9.3138   8.9924   3.2230   12.101   16.824   13.438   50.777   22.438   67.476   26.031 -16.69918 34.36665 
1 1 1   17   34    1 o   56.573   16.819   8.3278   8.9098   12.322   12.116   3.6239   13.148   60.970   24.353   52.175   23.206 8.794823 33.63897 
1 1 1   17   34    2 o   83.835   27.031   28.694   13.931   0.0000   0.0000   28.694   13.931  ?   ?    83.835   27.031      ?      ? 
1 1 1   17   34    3 f   69.539   24.325   18.575   11.269   0.0000   0.0000   18.575   11.269  ?   ?    69.539   24.325      ?      ? 
1 1 1   17   34    4 o   49.584   21.235   5.3441   10.148   0.0000   0.0000   5.3441   10.148  ?   ?    49.584   21.235      ?      ? 
1 1 1   17   34    5 o   37.444   17.851  -7.2919   10.015   0.0000   0.0000  -7.2919   10.015  ?   ?    37.444   17.851      ?      ? 
1 1 1   17   34    6 o  125.415   15.382   49.290   10.425   0.0000   0.0000   49.290   10.425  ?   ?   125.415   15.382      ?      ? 
1 1 1   17   34    7 o   38.346   18.089  -5.2220   9.7677   0.0000   0.0000  -5.2220   9.7677  ?   ?    38.346   18.089      ?      ? 
1 1 1   17   34    8 o  102.166   15.144   32.439   8.3605   0.0000   0.0000   32.439   8.3605  ?   ?   102.166   15.144      ?      ? 
1 1 1   17   34    9 o   29.334   14.320 -10.8950   7.4429   0.0000   0.0000 -10.8950   7.4429  ?   ?    29.334   14.320      ?      ? 
1 1 1   17   34   10 o   98.477   14.926   29.603   7.9425   0.0000   0.0000   29.603   7.9425  ?   ?    98.477   14.926      ?      ? 
1 1 1   17   34   11 o   34.895   16.335  -4.7159   7.7021   0.0000   0.0000  -4.7159   7.7021  ?   ?    34.895   16.335      ?      ? 
1 1 1   17   34   12 f   40.714   17.995   0.6918   7.7876   0.0000   0.0000   0.6918   7.7876  ?   ?    40.714   17.995      ?      ? 
1 1 1   17   34   13 o   64.209   20.335   14.636   7.9110   0.0000   0.0000   14.636   7.9110  ?   ?    64.209   20.335      ?      ? 
1 1 1   17   34   14 o   34.999   16.439  -4.4906   7.9146   0.0000   0.0000  -4.4906   7.9146  ?   ?    34.999   16.439      ?      ? 
1 1 1   17   34   15 o   37.442   17.104  -1.2676   7.7152   0.0000   0.0000  -1.2676   7.7152  ?   ?    37.442   17.104      ?      ? 
1 1 1   17   35    0 o   65.516   16.533   16.318   7.2498   18.151   11.748   15.190   9.2134   67.175   24.673   63.856   22.014 3.318687 33.06607 
1 1 1   17   35    1 o   34.681   16.468  -6.1681   8.3522   0.0000   0.0000  -6.1681   8.3522  ?   ?    34.681   16.468      ?      ? 
1 1 1   17   35    2 o   78.406   19.652   21.669   8.3100   0.0000   0.0000   21.669   8.3100  ?   ?    78.406   19.652      ?      ? 
1 1 1   17   35    3 o   58.454   20.712   12.301   8.1894   0.0000   0.0000   12.301   8.1894  ?   ?    58.454   20.712      ?      ? 
1 1 1   17   35    4 o   31.134   15.043  -8.5323   7.6701   0.0000   0.0000  -8.5323   7.6701  ?   ?    31.134   15.043      ?      ? 
1 1 1   17   35    5 o   33.619   16.045  -6.5706   8.1353   0.0000   0.0000  -6.5706   8.1353  ?   ?    33.619   16.045      ?      ? 
1 1 1   17   35    6 o   39.458   17.798   0.0750   8.0361   0.0000   0.0000   0.0750   8.0361  ?   ?    39.458   17.798      ?      ? 
1 1 1   17   35    7 o   51.408   20.028   8.7247   8.0150   0.0000   0.0000   8.7247   8.0150  ?   ?    51.408   20.028      ?      ? 
1 1 1   18    0    0 o  630.425   7.8332  1075.68   37.711  1075.68   37.711  1075.68   37.711  630.425   11.078  630.425   11.078 0.000000 0.000000 
1 1 1   18    0    1 o   90.231   4.4679   22.325   3.0461   22.325   3.0461   22.325   3.0461   90.231   6.3186   90.231   6.3186 0.000000 0.000000 
1 1 1   18    0    2 o   51.356   7.5603   7.9897   2.6162   7.9897   2.6162   7.9897   2.6162   51.356   10.692   51.356   10.692 0.000000 0.000000 
1 1 1   18    0    3 o   94.627   4.3371   24.502   3.1060   24.502   3.1060   24.502   3.1060   94.627   6.1335   94.627   6.1335 0.000000 0.000000 
1 1 1   18    0    4 o   49.234   7.3722   7.3678   2.4396   7.3678   2.4396   7.3678   2.4396   49.234   10.426   49.234   10.426 0.000000 0.000000 
1 1 1   18    0    5 o   75.862   4.9169   15.942   2.7954   15.942   2.7954   15.942   2.7954   75.862   6.9536   75.862   6.9536 0.000000 0.000000 
1 1 1   18    0    6 o  103.117   4.1883   29.019   3.2755   29.019   3.2755   29.019   3.2755  103.117   5.9232  103.117   5.9232 0.000000 0.000000 
1 1 1   18    0    8 o  615.632   7.6770  1025.65   36.092  1025.65   36.092  1025.65   36.092  615.632   10.857  615.632   10.857 0.000000 0.000000 
1 1 1   18    0    9 o  202.553   5.2448  111.329   8.0937  111.329   8.0937  111.329   8.0937  202.553   7.4172  202.553   7.4172 0.000000 0.000000 
1 1 1   18    0   10 o  1515.51   25.627  6259.01  296.419  6259.01  296.419  6259.01  296.419  1515.51   36.243  1515.51   36.243 0.000000 0.000000 
1 1 1   18    0   11 o  640.112   11.309  1110.58   55.240  1110.58   55.240  1110.58   55.240  640.112   15.993  640.112   15.993 0.000000 0.000000 
1 1 1   18    0   12 o  237.630   6.1800  153.243   11.188  153.243   11.188  153.243   11.188  237.630   8.7399  237.630   8.7399 0.000000 0.000000 
1 1 1   18    0   13 o  136.012   4.2061   50.276   4.3527   50.276   4.3527   50.276   4.3527  136.012   5.9483  136.012   5.9483 0.000000 0.000000 
1 1 1   18    0   15 o  859.499   10.443  1999.53   68.549  1999.53   68.549  1999.53   68.549  859.499   14.769  859.499   14.769 0.000000 0.000000 
1 1 1   18    0   16 o  241.148   4.1256  157.414   7.5927  157.414   7.5927  157.414   7.5927  241.148   5.8344  241.148   5.8344 0.000000 0.000000 
1 1 1   18    0   17 o  1754.47   20.850  8351.83  279.365  8351.83  279.365  8351.83  279.365  1754.47   29.486  1754.47   29.486 0.000000 0.000000 
1 1 1   18    0   18 o  389.033   5.3340  409.470   15.844  409.470   15.844  409.470   15.844  389.033   7.5434  389.033   7.5434 0.000000 0.000000 
1 1 1   18    0   19 o   36.331   11.612   5.1739   3.4679   5.1739   3.4679   5.1739   3.4679   36.331   16.422   36.331   16.422 0.000000 0.000000 
1 1 1   18    0   20 o  751.168   9.2248  1527.03   52.918  1527.03   52.918  1527.03   52.918  751.168   13.046  751.168   13.046 0.000000 0.000000 
1 1 1   18    0   21 o  402.345   5.5206  437.987   16.960  437.987   16.960  437.987   16.960  402.345   7.8073  402.345   7.8073 0.000000 0.000000 
1 1 1   18    0   24 o  158.069   4.9288   67.918   5.9275   67.918   5.9275   67.918   5.9275  158.069   6.9704  158.069   6.9704 0.000000 0.000000 
1 1 1   18    0   25 o  171.947   4.8031   80.277   6.2889   80.277   6.2889   80.277   6.2889  171.947   6.7926  171.947   6.7926 0.000000 0.000000 
1 1 1   18    0   26 o  966.851   11.679  2531.99   86.237  2531.99   86.237  2531.99   86.237  966.851   16.517  966.851   16.517 0.000000 0.000000 
1 1 1   18    0   27 o  677.109   8.4206  1240.95   43.541  1240.95   43.541  1240.95   43.541  677.109   11.909  677.109   11.909 0.000000 0.000000 
1 1 1   18    0   28 o  918.213   11.133  2283.78   78.069  2283.78   78.069  2283.78   78.069  918.213   15.745  918.213   15.745 0.000000 0.000000 
1 1 1   18    0   29 o  799.528   9.7953  1730.95   59.808  1730.95   59.808  1730.95   59.808  799.528   13.853  799.528   13.853 0.000000 0.000000 
1 1 1   18    0   30 o  736.209   9.0850  1467.57   51.078  1467.57   51.078  1467.57   51.078  736.209   12.848  736.209   12.848 0.000000 0.000000 
1 1 1   18    0   31 o  1036.33   12.524  2912.45   99.118  2912.45   99.118  2912.45   99.118  1036.33   17.711  1036.33   17.711 0.000000 0.000000 
1 1 1   18    0   32 o  355.563   5.2480  342.198   14.246  342.198   14.246  342.198   14.246  355.563   7.4218  355.563   7.4218 0.000000 0.000000 
1 1 1   18    0   33 o  158.692   5.0423   68.491   6.0867   68.491   6.0867   68.491   6.0867  158.692   7.1309  158.692   7.1309 0.000000 0.000000 
1 1 1   18    0   34 o  686.877   8.5590  1278.35   44.895  1278.35   44.895  1278.35   44.895  686.877   12.104  686.877   12.104 0.000000 0.000000 
1 1 1   18    0   35 o   37.493   13.300   5.6086   4.6751   5.6086   4.6751   5.6086   4.6751   37.493   18.809   37.493   18.809 0.000000 0.000000 
1 1 1   18    0   36 o  481.446   6.3948  627.737   23.509  627.737   23.509  627.737   23.509  481.446   9.0436  481.446   9.0436 0.000000 0.000000 
1 1 1   18    0   37 o  410.603   5.7361  456.621   17.983  456.621   17.983  456.621   17.983  410.603   8.1121  410.603   8.1121 0.000000 0.000000 
1 1 1   18    0   38 o  344.967   5.1811  322.334   13.644  322.334   13.644  322.334   13.644  344.967   7.3271  344.967   7.3271 0.000000 0.000000 
1 1 1   18    0   39 o  445.491   6.0627  537.778   20.623  537.778   20.623  537.778   20.623  445.491   8.5740  445.491   8.5740 0.000000 0.000000 
1 1 1   18    0   40 o  200.633   4.7518  109.270   7.2670  109.270   7.2670  109.270   7.2670  200.633   6.7200  200.633   6.7200 0.000000 0.000000 
1 1 1   18    0   41 o  165.863   5.0275   74.857   6.3457   74.857   6.3457   74.857   6.3457  165.863   7.1099  165.863   7.1099 0.000000 0.000000 
1 1 1   18    0   42 o  237.648   4.6972  153.183   8.5154  153.183   8.5154  153.183   8.5154  237.648   6.6428  237.648   6.6428 0.000000 0.000000 
1 1 1   18    0   43 o   19.244   9.4145  -3.8211   4.7268  -3.8211   4.7268  -3.8211   4.7268   19.244   13.314   19.244   13.314 0.000000 0.000000 
1 1 1   18    0   44 o   80.582   9.0974   18.951   5.1742   18.951   5.1742   18.951   5.1742   80.582   12.866   80.582   12.866 0.000000 0.000000 
1 1 1   18    0   48 o  279.748   4.9837  212.618   10.639  212.618   10.639  212.618   10.639  279.748   7.0480  279.748   7.0480 0.000000 0.000000 
1 1 1   18    0   49 o  175.430   5.1963   83.969   6.9386   83.969   6.9386   83.969   6.9386  175.430   7.3487  175.430   7.3487 0.000000 0.000000 
1 1 1   18    0   50 o   38.092   13.901   5.9542   5.1912   5.9542   5.1912   5.9542   5.1912   38.092   19.659   38.092   19.659 0.000000 0.000000 
1 1 1   18    0   51 o  106.141   7.1032   31.563   5.6430   31.563   5.6430   31.563   5.6430  106.141   10.045  106.141   10.045 0.000000 0.000000 
1 1 1   18    0   52 o   42.537   14.167   7.4404   5.1899   7.4404   5.1899   7.4404   5.1899   42.537   20.035   42.537   20.035 0.000000 0.000000 
1 1 1   18    0   53 o   80.676   9.8943   19.456   5.5500   19.456   5.5500   19.456   5.5500   80.676   13.993   80.676   13.993 0.000000 0.000000 
1 1 1   18    0   54 o   25.477   11.699  -0.0354   5.4450  -0.0354   5.4450  -0.0354   5.4450   25.477   16.544   25.477   16.544 0.000000 0.000000 
1 1 1   18    0   55 o   31.525   13.321   3.2227   5.6912   3.2227   5.6912   3.2227   5.6912   31.525   18.838   31.525   18.838 0.000000 0.000000 
1 1 1   18    0   56 o  132.977   6.6610   49.150   6.6909   49.150   6.6909   49.150   6.6909  132.977   9.4201  132.977   9.4201 0.000000 0.000000 
1 1 1   18    0   57 o  238.077   5.3755  155.158   9.7574  155.158   9.7574  155.158   9.7574  238.077   7.6021  238.077   7.6021 0.000000 0.000000 
1 1 1   18    0   58 o  154.601   6.4846   66.410   7.5995   66.410   7.5995   66.410   7.5995  154.601   9.1705  154.601   9.1705 0.000000 0.000000 
1 1 1   18    0   59 o   28.301   13.008   0.3122   6.7547   0.3122   6.7547   0.3122   6.7547   28.301   18.396   28.301   18.396 0.000000 0.000000 
1 1 1   18    0   60 o   21.823   10.853  -6.9934   7.0380  -6.9934   7.0380  -6.9934   7.0380   21.823   15.348   21.823   15.348 0.000000 0.000000 
1 1 1   18    0   61 o  220.183   5.8630  134.576   9.8335  134.576   9.8335  134.576   9.8335  220.183   8.2916  220.183   8.2916 0.000000 0.000000 
1 1 1   18    0   62 o   49.232   16.643   11.057   7.1901   11.057   7.1901   11.057   7.1901   49.232   23.537   49.232   23.537 0.000000 0.000000 
1 1 1   18    1    0 o  814.702   9.9059  1797.71   43.604  1780.78   61.104  1815.29   62.243  810.802   13.947  818.602   14.071 -7.799744 19.81184 
1 1 1   18    1    1 o  532.406   6.7565  766.775   19.438  766.893   27.535  766.658   27.444  532.445   9.5702  532.366   9.5402 0.7946777E-01 13.51307 
1 1 1   18    1    2 o  666.397   8.2317  1201.82   29.639  1211.85   42.309  1192.16   41.533  669.122   11.701  663.673   11.581 5.448486 16.46349 
1 1 1   18    1    3 o  550.050   6.9474  818.483   20.650  815.730   29.159  821.253   29.247  549.122   9.8269  550.978   9.8233 -1.856079 13.89476 
1 1 1   18    1    4 o  497.335   6.3758  668.664   17.128  679.935   24.641  658.128   23.825  501.384   9.0948  493.287   8.9379 8.096863 12.75157 
1 1 1   18    1    5 o  557.056   7.0163  839.427   21.119  843.673   30.063  835.289   29.674  558.444   9.9623  555.668   9.8826 2.776123 14.03259 
1 1 1   18    1    6 o   89.697   4.4871   21.804   2.1689   20.745   3.1353   22.777   3.0036   87.600   6.6235   91.794   6.0554 -4.193718 8.974284 
1 1 1   18    1    7 o  803.188   9.7724  1747.02   42.414  1746.00   59.962  1748.04   60.003  802.954   13.820  803.422   13.821 -0.4683228 19.54489 
1 1 1   18    1    8 o  922.611   13.668  2310.02   64.271  2310.75   78.772  2308.56  111.160  923.484   15.785  921.738   22.318 1.745789 27.33623 
1 1 1   18    1    9 o  729.113   10.982  1433.57   40.564  1421.51   49.314  1458.78   71.330  724.723   12.593  733.503   17.996 -8.780579 21.96440 
1 1 1   18    1   10 o  392.056   7.5111  415.538   15.913   0.0000   0.0000  415.538   15.913  ?   ?   392.056   7.5111      ?      ? 
1 1 1   18    1   11 o  392.769   6.7214  405.835   12.920  443.919   24.585  391.306   15.185  405.080   11.232  380.458   7.3864 24.62155 13.44275 
1 1 1   18    1   12 o  473.792   12.359  607.432   31.641   0.0000   0.0000  607.432   31.641  ?   ?   473.792   12.359      ?      ? 
1 1 1   18    1   13 o  324.322   4.7599  284.276   8.3413  288.145   11.876  280.510   11.718  326.500   6.7314  322.145   6.7317 4.355042 9.519848 
1 1 1   18    1   14 o  651.602   11.475  1148.50   40.404   0.0000   0.0000  1148.50   40.404  ?   ?   651.602   11.475      ?      ? 
1 1 1   18    1   15 o  538.790   6.8820  784.854   20.035  791.538   28.560  778.378   28.112  541.047   9.7688  536.533   9.6963 4.513184 13.76404 
1 1 1   18    1   17 o  761.043   9.3246  1566.71   38.339  1553.53   53.622  1580.50   54.839  757.775   13.095  764.310   13.278 -6.534729 18.64911 
1 1 1   18    1   18 o  770.369   9.4283  1605.46   39.243  1626.43   56.065  1585.31   54.948  775.297   13.383  765.442   13.285 9.854492 18.85664 
1 1 1   18    1   19 o  477.109   6.2188  615.450   16.031  616.223   22.492  614.651   22.854  477.416   8.7186  476.801   8.8701 0.6147766 12.43754 
1 1 1   18    1   22 o  520.031   9.4555  731.257   26.571  731.257   26.571   0.0000   0.0000  520.031   9.4555  ?   ?       ?      ? 
1 1 1   18    1   23 o  275.393   4.6326  205.176   6.8846  208.945   9.5450  201.089   9.9397  278.035   6.3531  272.751   6.7440 5.283783 9.265196 
1 1 1   18    1   25 o  656.464   6.6950  1165.54   23.747  1160.74   33.355  1170.47   33.818  655.097   9.4224  657.830   9.5136 -2.733154 13.38994 
1 1 1   18    1   27 o  705.619   8.7325  1342.81   33.203  1285.79   44.964  1411.17   49.237  689.238   12.073  722.000   12.620 -32.76166 17.46503 
1 1 1   18    1   28 o  585.948   7.4259  928.847   23.509  919.326   32.901  938.779   33.603  582.886   10.446  589.011   10.558 -6.125183 14.85187 
1 1 1   18    1   29 o  212.853   6.3309  122.477   7.2817  122.477   7.2817   0.0000   0.0000  212.853   6.3309  ?   ?       ?      ? 
1 1 1   18    1   30 o  397.146   7.8222  426.546   16.787  426.546   16.787   0.0000   0.0000  397.146   7.8222  ?   ?       ?      ? 
1 1 1   18    1   31 o  522.743   6.7768  739.465   19.141  734.590   26.880  744.480   27.264  520.998   9.5477  524.487   9.6199 -3.488708 13.55365 
1 1 1   18    1   32 o  557.807   7.1531  842.232   21.560  838.998   30.347  845.529   30.636  556.728   10.088  558.885   10.144 -2.156860 14.30624 
1 1 1   18    1   33 o  530.498   6.8769  761.936   19.713  769.574   28.048  754.482   27.710  533.124   9.7363  527.873   9.7145 5.250732 13.75378 
1 1 1   18    1   34 o  380.256   5.4395  390.646   11.167  406.650   16.214  376.203   15.403  387.650   7.7403  372.862   7.6448 14.78760 10.87909 
1 1 1   18    1   35 o  108.486   6.3314   31.735   3.7037   29.543   5.0504   34.286   5.4478  104.449   8.9482  112.523   8.9598 -8.073875 12.66285 
1 1 1   18    1   36 o  542.763   7.0139  798.394   20.570  793.493   28.889  803.433   29.295  541.080   9.8807  544.445   9.9576 -3.365173 14.02784 
1 1 1   18    1   37 o  633.837   7.9995  1090.82   27.399  1091.66   38.755  1089.97   38.740  634.083   11.311  633.591   11.315 0.4917603 15.99903 
1 1 1   18    1   38 o  189.513   4.7612   97.231   4.8716  102.620   6.9359   91.983   6.8440  194.704   6.5923  184.322   6.8715 10.38245 9.522378 
1 1 1   18    1   39 o  278.396   4.7868  209.874   7.2005  213.370   10.214  206.420   10.153  280.704   6.7335  276.088   6.8053 4.616028 9.573508 
1 1 1   18    1   40 o  267.302   4.7833  193.380   6.9040  188.627   9.5462  198.593   9.9969  263.870   6.6950  270.735   6.8333 -6.865601 9.566515 
1 1 1   18    1   41 o  445.301   6.0724  538.282   14.612  538.169   20.639  538.395   20.689  445.256   8.5782  445.345   8.5970 -0.8892822E-01 12.14472 
1 1 1   18    1   42 o   43.198   11.018   4.0350   3.3716   2.0977   4.6787   6.1280   4.8629   38.082   15.158   48.315   15.995 -10.23355 22.03648 
1 1 1   18    1   43 o  358.732   6.4656  347.273   11.849  359.009   20.561  341.438   14.498  362.834   10.487  354.630   7.5656 8.203888 12.93117 
1 1 1   18    1   44 o   43.012   12.351   0.6421   4.6502  -3.1284   6.0761   5.9730   7.2249   34.113   15.423   51.910   19.297 -17.79665 24.70273 
1 1 1   18    1   45 f  268.186   6.8036  195.322   9.7996  188.851   13.064  203.649   14.819  263.242   9.1839  273.131   10.041 -9.889221 13.60724 
1 1 1   18    1   46 o  148.955   7.7694   60.382   6.2536   60.382   6.2536   0.0000   0.0000  148.955   7.7694  ?   ?       ?      ? 
1 1 1   18    1   47 o   42.949   12.844   0.8769   5.1119   1.2101   7.6341   0.6061   6.8829   44.389   18.688   41.508   17.625 2.881187 25.68808 
1 1 1   18    1   48 o  153.071   8.0083   61.909   6.4742   83.941   10.320   47.613   8.3135  174.721   10.931  131.420   11.707 43.30054 16.01669 
1 1 1   18    1   49 f  308.585   5.1795  259.642   8.6365  257.028   12.158  262.304   12.270  307.017   7.3285  310.154   7.3214 -3.137787 10.35905 
1 1 1   18    1   50 o  277.764   5.0148  210.272   7.5239  204.814   10.462  216.120   10.829  274.043   7.0648  281.486   7.1191 -7.442657 10.02961 
1 1 1   18    1   51 o  217.590   5.0109  129.297   5.8916  130.665   8.3436  127.937   8.3203  218.747   7.0587  216.434   7.1142 2.313126 10.02182 
1 1 1   18    1   52 o  143.984   5.7751   56.819   4.4904   55.795   6.2199   57.934   6.4895  142.656   8.0688  145.312   8.2646 -2.656372 11.55027 
1 1 1   18    1   53 o   57.667   11.544   9.8671   3.8608   12.569   5.3900   7.0203   5.5328   65.028   15.549   50.306   17.066 14.72118 23.08744 
1 1 1   18    1   54 o  225.480   5.0632  139.275   6.1677  136.417   8.6118  142.285   8.8375  223.113   7.1430  227.846   7.1780 -4.732498 10.12644 
1 1 1   18    1   55 o   84.913   9.4836   20.808   4.2307   18.381   5.9533   23.283   6.0133   79.011   14.477   90.815   12.254 -11.80399 18.96715 
1 1 1   18    1   56 o   95.086   8.5299   25.704   4.3516   28.614   6.0910   22.671   6.2192  100.915   11.170   89.257   12.895 11.65771 17.05979 
1 1 1   18    1   57 o   48.484   12.502   6.1074   4.3084   4.2381   5.9892   8.1122   6.2025   44.182   17.285   52.786   18.069 -8.604137 25.00490 
1 1 1   18    1   58 o  280.177   5.4155  217.232   8.1940  226.002   11.833  209.151   11.358  285.595   7.6674  274.758   7.6499 10.83762 10.83102 
1 1 1   18    1   59 o  135.113   7.5477   52.105   5.4534   44.869   7.8344   58.907   7.5956  125.401   11.562  144.824   9.7058 -19.42311 15.09545 
1 1 1   18    1   60 o  230.083   5.7968  146.990   7.2001  154.271   10.461  140.435   9.9253  235.468   8.2214  224.698   8.1744 10.76991 11.59367 
1 1 1   18    1   61 o   72.458   12.607   17.938   4.9948   13.707   7.1044   22.073   7.0236   62.533   19.190   82.382   16.354 -19.84905 25.21339 
1 1 1   18    1   62 o  103.439   9.4666   32.173   5.2271   37.776   7.4464   26.731   7.3391  113.239   12.169   93.639   14.504 19.60046 18.93329 
1 1 1   18    2    0 o  1089.11   13.084  3218.86   76.991  3244.99  109.882  3193.66  107.908  1093.43   18.597  1084.79   18.409 8.633545 26.16741 
1 1 1   18    2    1 o  498.861   6.4092  673.110   17.277  673.292   24.488  672.930   24.379  498.927   9.0830  498.795   9.0450 0.1318359 12.81841 
1 1 1   18    2    2 o  481.362   6.2240  626.677   16.189  626.464   22.960  626.888   22.830  481.279   8.8284  481.445   8.7756 -0.1660461 12.44792 
1 1 1   18    2    3 o  550.957   6.9704  821.170   20.752  815.857   29.264  826.544   29.432  549.164   9.8615  552.749   9.8539 -3.585449 13.94087 
1 1 1   18    2    4 o   44.562   7.3084   5.6919   1.8118   3.2407   2.6905   7.7258   2.4508   35.675   11.902   53.449   8.4854 -17.77354 14.61684 
1 1 1   18    2    5 o  259.405   4.1878  181.701   5.8596  184.920   8.5794  178.886   8.0222  261.554   6.0702  257.257   5.7708 4.297028 8.375580 
1 1 1   18    2    6 o  261.935   4.1624  185.455   5.8900  185.285   8.4219  185.617   8.2403  261.816   5.9529  262.053   5.8193 -0.2368164 8.324703 
1 1 1   18    2    7 o  597.135   10.570  964.656   34.106   0.0000   0.0000  964.656   34.106  ?   ?   597.135   10.570      ?      ? 
1 1 1   18    2    8 o  463.403   7.4279  578.651   17.440  574.466   21.210  587.387   30.645  460.923   8.5157  465.882   12.173 -4.959045 14.85587 
1 1 1   18    2    9 o  598.367   9.2952  951.907   27.576  1012.39   50.984  926.898   32.785  611.354   15.433  585.380   10.364 25.97339 18.59034 
1 1 1   18    2   10 o  576.045   8.9204  907.004   26.425  868.243   44.378  928.297   32.891  566.262   14.503  585.829   10.390 -19.56696 17.84076 
1 1 1   18    2   11 o  223.163   4.6410  135.519   5.4461  130.586   8.6929  138.706   6.9874  219.786   7.3194  226.541   5.7079 -6.754791 9.281960 
1 1 1   18    2   12 o  1168.56   14.020  3703.11   88.516  3667.23  123.945  3740.45  126.454  1162.81   19.726  1174.31   19.928 -11.50452 28.03962 
1 1 1   18    2   13 o  1112.81   16.533  3308.78   91.639  3226.57  109.391  3502.25  167.803  1091.05   18.555  1134.57   27.370 -43.52112 33.06676 
1 1 1   18    2   14 o  666.234   8.2622  1200.68   29.745  1202.15   42.117  1199.22   42.014  666.640   11.692  665.828   11.677 0.8120117 16.52444 
1 1 1   18    2   15 o  874.419   10.628  2064.67   50.125  1993.22   68.406  2147.51   73.659  858.151   14.752  890.687   15.304 -32.53552 21.25644 
1 1 1   18    2   16 o  518.638   6.6240  727.247   18.563  737.413   26.300  717.154   26.204  522.252   9.3194  515.024   9.4158 7.227295 13.24795 
1 1 1   18    2   17 o  369.441   5.1427  369.181   10.254  374.816   14.214  363.066   14.806  372.387   7.0636  366.495   7.4764 5.892120 10.28543 
1 1 1   18    2   18 o  521.960   6.6721  736.701   18.817  745.746   26.567  727.597   26.655  525.179   9.3617  518.742   9.5093 6.436218 13.34418 
1 1 1   18    2   19 o  582.783   7.3383  918.304   23.099  912.378   32.132  924.643   33.228  580.845   10.237  584.721   10.517 -3.876465 14.67651 
1 1 1   18    2   20 o  200.077   4.1594  108.229   4.3611  108.355   5.5315  108.023   7.0895  200.238   5.1122  199.915   6.5626 0.3223114 8.318860 
1 1 1   18    2   21 o  538.532   6.8900  784.316   20.045  787.839   28.057  780.644   28.647  539.773   9.6193  537.291   9.8669 2.481995 13.77995 
1 1 1   18    2   22 o  632.219   7.9132  1080.97   27.031  1100.16   38.522  1062.35   37.940  637.747   11.178  626.691   11.204 11.05621 15.82635 
1 1 1   18    2   23 o  1077.18   12.962  3145.55   75.446  3161.01  106.997  3130.26  106.399  1079.81   18.337  1074.55   18.324 5.262207 25.92357 
1 1 1   18    2   24 o  536.136   9.6404  777.438   27.929  777.438   27.929   0.0000   0.0000  536.136   9.6404  ?   ?       ?      ? 
1 1 1   18    2   25 o  842.060   14.489  1920.68   65.930  1920.68   65.930   0.0000   0.0000  842.060   14.489  ?   ?       ?      ? 
1 1 1   18    2   26 o  686.657   8.5003  1275.78   31.533  1261.61   44.052  1290.66   45.158  682.758   11.940  690.556   12.102 -7.798462 17.00068 
1 1 1   18    2   27 o  487.839   8.9925  643.651   23.705  643.651   23.705   0.0000   0.0000  487.839   8.9925  ?   ?       ?      ? 
1 1 1   18    2   28 o  481.743   8.9173  627.713   23.213  627.713   23.213   0.0000   0.0000  481.743   8.9173  ?   ?       ?      ? 
1 1 1   18    2   30 o  189.503   4.5348   97.171   4.6396   99.783   6.4855   94.434   6.6401  192.116   6.2473  186.889   6.5750 5.226578 9.069697 
1 1 1   18    2   31 o  169.852   4.6912   78.000   4.3027   77.782   5.9714   78.236   6.2053  169.607   6.5154  170.096   6.7512 -0.4888611 9.382380 
1 1 1   18    2   32 f  382.101   5.4372  394.912   11.226  398.552   15.887  391.282   15.865  383.861   7.6591  380.340   7.7195 3.520538 10.87437 
1 1 1   18    2   33 o  254.824   4.6969  175.605   6.4569  189.391   9.2281  162.382   9.0378  264.629   6.4534  245.020   6.8261 19.60902 9.393707 
1 1 1   18    2   34 o  369.729   5.3624  369.606   10.709  383.585   15.385  356.469   14.915  376.507   7.5622  362.952   7.6048 13.55475 10.72472 
1 1 1   18    2   35 o   96.551   6.8519   25.441   3.5446   27.136   4.8176   23.440   5.2338  100.104   8.9062   92.998   10.415 7.106575 13.70371 
1 1 1   18    2   36 o  292.287   4.8482  230.590   7.6469  247.237   11.121  215.661   10.531  302.271   6.8088  282.303   6.9038 19.96780 9.696449 
1 1 1   18    2   37 o  287.127   4.8181  223.005   7.4721  232.731   10.707  213.773   10.432  293.230   6.7574  281.024   6.8699 12.20547 9.636276 
1 1 1   18    2   38 o  318.987   5.0219  275.473   8.6548  282.331   12.332  268.817   12.150  322.901   7.0677  315.072   7.1362 7.829315 10.04374 
1 1 1   18    2   39 o  205.907   4.7616  114.888   5.2925  121.090   7.4905  108.705   7.4788  211.473   6.5550  200.342   6.9084 11.13110 9.523295 
1 1 1   18    2   40 o  394.498   5.6321  422.125   12.005  423.280   16.910  420.952   17.047  395.050   7.9215  393.945   8.0081 1.104675 11.26412 
1 1 1   18    2   41 o  129.379   6.6926   43.666   4.5844   56.824   7.3826   35.408   5.8486  144.610   9.4477  114.148   9.4819 30.46133 13.38522 
1 1 1   18    2   42 o  134.619   7.4683   49.561   5.3995   51.532   7.3352   47.230   7.9774  137.621   9.8636  131.617   11.217 6.004181 14.93670 
1 1 1   18    2   43 o   89.265   10.335   21.477   4.7812   16.608   6.1873   28.694   7.5328   76.293   15.536  102.236   13.635 -25.94360 20.67097 
1 1 1   18    2   44 o  248.629   5.9307  166.883   7.4187  164.726   8.9557  171.599   13.244  246.385   6.7266  250.873   9.7696 -4.488220 11.86139 
1 1 1   18    2   45 o  198.886   4.9234  107.524   5.2841  110.099   7.3423  104.758   7.6108  201.389   6.7469  196.383   7.1719 5.006058 9.846715 
1 1 1   18    2   46 o   42.620   11.301   3.4621   3.6128   1.2410   4.9569   5.9789   5.2765   36.983   15.274   48.258   16.658 -11.27510 22.60107 
1 1 1   18    2   47 o  195.673   6.1021  103.739   6.0420  102.334   7.3317  106.712   10.667  193.964   6.9951  197.381   10.001 -3.416550 12.20430 
1 1 1   18    2   48 o  250.650   7.1741  172.371   9.7021  172.252   14.109  172.477   13.363  250.462   10.425  250.839   9.8585 -0.3764648 14.34827 
1 1 1   18    2   49 o  237.303   7.1886  154.913   9.1977  154.685   13.451  155.113   12.605  236.997   10.504  237.609   9.8172 -0.6121979 14.37714 
1 1 1   18    2   50 o   61.655   13.078   8.5415   4.6038   18.689   8.5856   4.4462   5.4542   78.741   20.107   44.570   16.727 34.17115 26.15524 
1 1 1   18    2   51 o   76.043   9.6985   16.640   3.8673   18.047   5.3002   15.038   5.6556   80.440   12.194   71.645   15.085 8.794792 19.39709 
1 1 1   18    2   52 o   39.828   11.290   2.5380   3.7022   3.0490   5.1160   1.9761   5.3643   40.569   15.944   39.086   15.987 1.482643 22.57921 
1 1 1   18    2   53 o  175.251   5.3828   84.263   5.0897   85.165   7.0297   83.269   7.3788  176.315   7.3783  174.187   7.8394 2.128036 10.76552 
1 1 1   18    2   54 o  140.717   6.0938   54.794   4.6157   59.641   6.4842   49.814   6.5719  147.199   8.1519  134.236   9.0601 12.96294 12.18769 
1 1 1   18    2   55 o  192.334   5.3748  101.584   5.5824   99.383   7.7284  103.985   8.0722  190.192   7.5199  194.476   7.6814 -4.283981 10.74953 
1 1 1   18    2   56 o  133.211   6.7334   49.299   4.8406   45.906   6.7280   52.940   6.9696  128.395   9.6973  138.027   9.3445 -9.632278 13.46690 
1 1 1   18    2   57 o  148.875   6.4846   61.946   5.1849   68.868   7.2820   54.829   7.3843  157.631   8.5491  140.119   9.7526 17.51158 12.96925 
1 1 1   18    2   58 o  135.743   7.0661   51.955   5.1727   47.739   7.2257   56.386   7.4084  129.923   10.292  141.562   9.6847 -11.63860 14.13224 
1 1 1   18    2   59 o   22.626   11.441 -21.7308   6.8250 -21.7308   6.8250   0.0000   0.0000   22.626   11.441  ?   ?       ?      ? 
1 1 1   18    2   60 o   38.189   11.623  -2.6665   4.9851 -12.0050   7.2347   5.7760   6.8788   28.552   13.976   47.826   18.576 -19.27380 23.24629 
1 1 1   18    2   61 o  138.589   7.5948   55.740   5.6695   62.047   8.2173   50.010   7.8324  146.372   10.389  130.806   11.081 15.56558 15.18956 
1 1 1   18    2   62 o   75.430   12.705   19.096   5.1051   18.044   7.4557   20.025   7.0047   72.672   18.832   78.187   17.059 -5.514427 25.40987 
1 1 1   18    3    0 o  774.007   9.4647  1622.31   39.584  1610.48   55.635  1634.43   56.331  771.155   13.351  776.859   13.419 -5.703979 18.92933 
1 1 1   18    3    1 o  279.807   6.0725  211.633   9.1815   0.0000   0.0000  211.633   9.1815  ?   ?   279.807   6.0725      ?      ? 
1 1 1   18    3    2 o  471.645   6.1346  601.305   15.628  611.117   22.508  592.174   21.715  475.353   8.7628  467.937   8.5877 7.415985 12.26923 
1 1 1   18    3    3 o  573.571   7.2273  888.459   22.367  918.043   32.718  862.501   30.647  582.506   10.394  564.636   10.045 17.86975 14.45468 
1 1 1   18    3    4 o  689.290   8.5066  1281.43   31.593  1344.32   46.874  1229.08   42.765  704.702   12.310  673.878   11.744 30.82385 17.01325 
1 1 1   18    3    5 o  553.055   9.8691  827.396   29.494   0.0000   0.0000  827.396   29.494  ?   ?   553.055   9.8691      ?      ? 
1 1 1   18    3    6 o  482.448   8.8258  629.443   23.009   0.0000   0.0000  629.443   23.009  ?   ?   482.448   8.8258      ?      ? 
1 1 1   18    3    7 o  192.309   8.4256  100.000   8.7556   0.0000   0.0000  100.000   8.7556  ?   ?   192.309   8.4256      ?      ? 
1 1 1   18    3    8 o  1174.14   14.073  3738.00   89.234  3813.64  128.869  3668.34  123.682  1185.49   20.117  1162.79   19.684 22.69519 28.14542 
1 1 1   18    3    9 o  177.598   5.4857   84.877   4.5023   86.036   9.2036   84.512   5.1622  178.363   9.5492  176.833   5.4024 1.529694 10.97142 
1 1 1   18    3   10 o  993.826   11.979  2675.10   64.308  2630.34   89.454  2722.97   92.514  985.252   16.802  1002.40   17.080 -17.14844 23.95871 
1 1 1   18    3   11 o  1065.23   12.819  3073.98   73.750  3131.19  106.428  3021.12  102.291  1074.72   18.326  1055.74   17.930 18.98254 25.63884 
1 1 1   18    3   12 o  1156.97   16.924  3659.52  100.873  3558.56  169.394  3715.00  125.564  1143.55   27.413  1170.40   19.854 -26.85217 33.84735 
1 1 1   18    3   13 o  1002.74   14.829  2720.46   75.541  2707.12   92.169  2747.75  131.848  999.675   17.062  1005.81   24.259 -6.136536 29.65824 
1 1 1   18    3   14 f  509.665   7.9912  702.678   20.863  702.899   25.700  702.252   35.728  509.869   9.3280  509.460   12.978 0.4086304 15.98245 
1 1 1   18    3   15 o  334.744   6.9585  302.866   12.587   0.0000   0.0000  302.866   12.587  ?   ?   334.744   6.9585      ?      ? 
1 1 1   18    3   16 o  501.370   6.4813  678.967   17.551  706.417   25.252  653.314   24.411  511.165   9.1420  491.575   9.1898 19.58984 12.96256 
1 1 1   18    3   17 o  534.773   6.8512  772.436   19.787  799.817   28.559  747.156   27.441  543.877   9.7175  525.669   9.6605 18.20740 13.70232 
1 1 1   18    3   18 o  290.569   6.8632  228.208   10.776   0.0000   0.0000  228.208   10.776  ?   ?   290.569   6.8632      ?      ? 
1 1 1   18    3   19 o  490.438   9.2055  650.351   24.396   0.0000   0.0000  650.351   24.396  ?   ?   490.438   9.2055      ?      ? 
1 1 1   18    3   20 o  277.062   6.9204  207.489   10.361   0.0000   0.0000  207.489   10.361  ?   ?   277.062   6.9204      ?      ? 
1 1 1   18    3   21 o  405.485   8.2083  444.498   17.985   0.0000   0.0000  444.498   17.985  ?   ?   405.485   8.2083      ?      ? 
1 1 1   18    3   22 o  759.552   9.3978  1557.58   38.508  1625.13   56.471  1498.87   52.648  774.888   13.486  744.216   13.092 30.67267 18.79559 
1 1 1   18    3   23 o  375.442   5.3375  381.684   10.792  389.360   14.760  372.865   15.821  379.515   7.1974  371.369   7.8837 8.145966 10.67497 
1 1 1   18    3   24 o  706.225   8.7700  1349.66   33.464  1374.66   47.751  1325.52   46.911  712.652   12.400  699.797   12.406 12.85455 17.54008 
1 1 1   18    3   25 o  659.903   7.5658  1186.23   26.615  1232.45   35.280  1125.18   40.546  675.007   9.6723  644.800   11.637 30.20715 15.13163 
1 1 1   18    3   26 o  635.115   7.9336  1091.07   27.221  1109.09   39.029  1073.99   37.984  640.216   11.282  630.014   11.157 10.20154 15.86720 
1 1 1   18    3   27 o  579.514   7.3483  908.619   23.010  906.448   32.345  910.843   32.741  578.817   10.341  580.211   10.443 -1.393738 14.69668 
1 1 1   18    3   28 o  523.943   6.8058  741.647   19.254  768.961   27.892  716.783   26.613  533.142   9.6817  514.744   9.5677 18.39819 13.61165 
1 1 1   18    3   29 o   80.030   10.426   17.331   4.5086   0.0000   0.0000   17.331   4.5086  ?   ?    80.030   10.426      ?      ? 
1 1 1   18    3   30 o  465.299   6.2025  585.705   15.595  589.561   22.099  581.880   22.010  466.826   8.7606  463.773   8.7827 3.052643 12.40495 
1 1 1   18    3   31 o  509.974   6.6575  703.609   18.344  715.350   26.217  692.348   25.675  514.138   9.4367  505.809   9.3936 8.329773 13.31502 
1 1 1   18    3   32 o  110.475   5.9798   32.644   3.5208   25.755   4.7318   41.188   5.2697   97.557   8.9761  123.393   7.9032 -25.83648 11.95954 
1 1 1   18    3   33 o  246.417   4.6123  163.958   6.1302  159.994   8.3788  168.524   8.9926  243.223   6.3752  249.611   6.6670 -6.387924 9.224513 
1 1 1   18    3   34 o  338.621   5.1329  310.037   9.3883  322.783   13.457  297.951   13.104  345.401   7.2099  331.842   7.3079 13.55817 10.26588 
1 1 1   18    3   35 o  244.672   4.6937  161.813   6.1944  159.737   8.4843  164.184   9.0649  243.001   6.4613  246.343   6.8098 -3.342606 9.387352 
1 1 1   18    3   36 f  531.973   6.9150  767.049   19.876  762.052   27.864  772.226   28.359  530.219   9.7252  533.727   9.8331 -3.508179 13.83000 
1 1 1   18    3   37 o  150.204   5.1823   61.483   4.1790   66.730   5.7706   55.697   6.0601  157.009   6.8016  143.400   7.8206 13.60901 10.36455 
1 1 1   18    3   38 o  559.011   7.2166  847.635   21.788  868.910   31.430  827.952   30.231  565.739   10.281  552.283   10.130 13.45612 14.43313 
1 1 1   18    3   39 o  263.003   5.6205  189.185   7.8341  178.288   12.144  196.953   10.253  256.364   8.7660  269.642   7.0369 -13.27847 11.24102 
1 1 1   18    3   40 o  296.356   6.6956  237.647   10.677  228.604   14.347  248.874   15.985  290.117   9.1516  302.594   9.7762 -12.47742 13.39126 
1 1 1   18    3   41 o  313.463   6.8966  267.174   11.665  268.243   16.095  265.991   16.931  314.177   9.4807  312.750   10.018 1.427338 13.79311 
1 1 1   18    3   42 o  178.289   5.8993   84.533   5.3278   81.353   6.4347   91.464   9.5009  173.218   6.8746  183.361   9.5889 -10.14348 11.79863 
1 1 1   18    3   43 f  276.711   4.9021  207.410   7.3171  202.212   10.007  213.382   10.727  273.017   6.7829  280.405   7.0793 -7.388000 9.804270 
1 1 1   18    3   44 o  161.223   5.2093   70.610   4.5174   70.719   6.1055   70.477   6.7149  161.402   7.0004  161.044   7.7163 0.3585052 10.41857 
1 1 1   18    3   45 o  141.270   5.5815   54.505   4.2410   57.477   5.8320   51.170   6.1783  145.428   7.4214  137.112   8.3389 8.315369 11.16303 
1 1 1   18    3   46 o  145.125   5.6061   57.816   4.3556   65.627   6.0894   49.632   6.2324  155.336   7.2546  134.913   8.5490 20.42268 11.21228 
1 1 1   18    3   47 o   55.793   10.609   8.1526   3.5878   2.9697   4.7997   14.716   5.4011   40.023   15.524   71.563   14.465 -31.54007 21.21871 
1 1 1   18    3   48 o  233.827   6.1875  150.733   7.2093  152.848   8.6952  146.081   12.895  237.014   6.7892  230.641   10.346 6.373077 12.37501 
1 1 1   18    3   49 o   67.604   14.409   13.366   5.7926   10.205   8.1135   16.653   8.2727   60.660   20.666   74.547   20.085 -13.88627 28.81811 
1 1 1   18    3   50 o   74.794   14.407   16.895   5.9854   16.050   8.6106   17.685   8.3259   72.975   20.816   76.614   19.924 -3.638336 28.81419 
1 1 1   18    3   51 o   60.200   12.227   5.8526   4.6892   22.081   8.5866  -1.0443   5.5977   85.596   19.054   34.804   15.326 50.79187 24.45325 
1 1 1   18    3   52 o   90.549   8.2860   22.838   4.0466   22.571   5.5420   23.144   5.9226   90.058   11.388   91.040   12.039 -0.9813766 16.57197 
1 1 1   18    3   53 o   34.302   10.565  -1.2268   3.8541   2.0014   5.2248  -5.0804   5.7084   38.593   15.781   30.011   14.053 8.582172 21.13093 
1 1 1   18    3   54 o   34.069   10.574  -1.3909   3.8963   1.6282   5.2738  -5.0193   5.7815   37.901   15.713   30.236   14.153 7.664974 21.14720 
1 1 1   18    3   55 o  139.424   6.2747   53.535   4.7147   50.948   6.3892   56.629   6.9859  135.799   8.7069  143.049   9.0375 -7.249603 12.54935 
1 1 1   18    3   56 o  103.969   8.1727   30.523   4.5840   30.687   6.3180   30.341   6.6612  104.400   11.199  103.539   11.906 0.8617325 16.34546 
1 1 1   18    3   57 o  119.510   7.5506   40.229   4.8674   42.067   6.8036   38.302   6.9663  122.482   10.280  116.538   11.062 5.944160 15.10115 
1 1 1   18    3   58 o  172.109   6.2092   82.483   5.7550   73.538   7.9010   92.592   8.3993  162.046   9.0231  182.172   8.5324 -20.12520 12.41849 
1 1 1   18    3   59 o   84.234   11.725   22.749   5.3648   36.790   7.6440   9.1202   7.5311  113.105   12.507   55.363   19.836 57.74256 23.44932 
1 1 1   18    3   60 o   35.777   11.683  -3.6755   5.2818  -3.3005   7.5847  -4.0285   7.3597   36.429   16.758   35.125   16.282 1.304031 23.36528 
1 1 1   18    3   61 o   66.825   13.958   15.495   5.4488   18.786   7.9456   12.574   7.4865   73.483   19.635   60.167   19.843 13.31653 27.91562 
1 1 1   18    3   62 o  117.844   8.9056   41.561   5.6535   39.057   8.1119   43.926   7.8834  113.845   13.186  121.843   11.973 -7.998268 17.81130 
1 1 1   18    4    0 o  309.844   4.6425  259.421   7.7679  262.400   11.215  256.673   10.770  311.551   6.6614  308.137   6.4681 3.413849 9.284986 
1 1 1   18    4    1 o  747.606   9.1720  1512.46   37.035  1539.39   53.397  1487.50   51.409  753.998   13.106  741.215   12.835 12.78278 18.34410 
1 1 1   18    4    2 o  151.658   4.0146   61.619   3.2718   67.373   4.9554   57.172   4.3564  157.878   5.8086  145.438   5.5432 12.43906 8.029136 
1 1 1   18    4    3 o  134.846   4.0263   48.788   2.9173   52.446   4.4174   45.958   3.8851  139.296   5.8688  130.397   5.5137 8.898087 8.052541 
1 1 1   18    4    5 o  1074.21   18.255  3129.61  105.966   0.0000   0.0000  3129.61  105.966  ?   ?   1074.21   18.255      ?      ? 
1 1 1   18    4    6 o  269.167   8.9669  195.923   13.042   0.0000   0.0000  195.923   13.042  ?   ?   269.167   8.9669      ?      ? 
1 1 1   18    4    7 o  884.357   10.729  2116.60   51.242  2072.88   71.002  2164.13   74.027  874.856   15.019  893.859   15.326 -19.00299 21.45849 
1 1 1   18    4    8 o  572.988   9.0557  868.939   25.490  935.586   48.020  842.791   30.078  587.755   15.119  558.221   9.9714 29.53363 18.11145 
1 1 1   18    4    9 f  518.099   9.3730  725.897   26.241   0.0000   0.0000  725.897   26.241  ?   ?   518.099   9.3730      ?      ? 
1 1 1   18    4   10 o  377.920   7.6031  386.109   15.527  386.109   15.527   0.0000   0.0000  377.920   7.6031  ?   ?       ?      ? 
1 1 1   18    4   11 o  281.654   4.4860  214.450   6.8259  209.012   9.6519  219.891   9.6547  278.080   6.4233  285.228   6.2641 -7.148254 8.972012 
1 1 1   18    4   12 o  914.862   13.572  2260.69   62.994  2292.79  110.363  2245.18   76.719  919.144   22.220  910.580   15.592 8.564087 27.14496 
1 1 1   18    4   13 o  202.170   4.5127  109.313   4.7974  115.383   7.8295  105.664   6.0705  206.610   7.0128  197.731   5.6814 8.878601 9.025433 
1 1 1   18    4   14 o  484.206   12.357  634.234   32.332   0.0000   0.0000  634.234   32.332  ?   ?   484.206   12.357      ?      ? 
1 1 1   18    4   15 o  663.264   10.233  1176.83   34.059  1154.36   40.953  1227.25   61.336  653.304   11.601  673.224   16.860 -19.92078 20.46581 
1 1 1   18    4   17 o  264.029   6.7844  188.421   9.6794   0.0000   0.0000  188.421   9.6794  ?   ?   264.029   6.7844      ?      ? 
1 1 1   18    4   18 o  398.229   8.1550  428.721   17.549   0.0000   0.0000  428.721   17.549  ?   ?   398.229   8.1550      ?      ? 
1 1 1   18    4   19 o  1057.62   18.106  3030.85  103.478   0.0000   0.0000  3030.85  103.478  ?   ?   1057.62   18.106      ?      ? 
1 1 1   18    4   20 o  289.940   7.3287  227.239   11.482   0.0000   0.0000  227.239   11.482  ?   ?   289.940   7.3287      ?      ? 
1 1 1   18    4   21 o  977.802   16.790  2589.89   88.715   0.0000   0.0000  2589.89   88.715  ?   ?   977.802   16.790      ?      ? 
1 1 1   18    4   22 o  351.952   7.8369  334.880   14.904   0.0000   0.0000  334.880   14.904  ?   ?   351.952   7.8369      ?      ? 
1 1 1   18    4   23 o  312.233   7.6632  263.570   12.929   0.0000   0.0000  263.570   12.929  ?   ?   312.233   7.6632      ?      ? 
1 1 1   18    4   24 o  277.720   7.6218  208.535   11.438   0.0000   0.0000  208.535   11.438  ?   ?   277.720   7.6218      ?      ? 
1 1 1   18    4   26 o  250.144   4.3874  169.157   5.9267  177.039   8.4201  161.418   8.3437  255.922   6.0887  244.367   6.3187 11.55562 8.774879 
1 1 1   18    4   27 o  528.210   6.8366  752.820   19.479  786.877   28.598  723.346   26.605  539.315   9.8132  517.105   9.5214 22.21014 13.67319 
1 1 1   18    4   28 o  137.068   4.6848   50.281   3.4516   44.368   4.6342   57.649   5.1728  128.107   6.6945  146.029   6.5554 -17.92162 9.369588 
1 1 1   18    4   29 o  829.940   10.148  1865.99   45.498  1894.86   65.278  1838.73   63.448  836.162   14.447  823.718   14.254 12.44373 20.29569 
1 1 1   18    4   30 o  467.537   6.2571  591.034   15.802  605.005   22.739  577.985   21.975  472.873   8.8988  462.201   8.7987 10.67276 12.51424 
1 1 1   18    4   31 o  490.929   6.4802  651.242   17.177  675.107   24.913  629.619   23.715  499.484   9.2304  482.374   9.0980 17.11032 12.96047 
1 1 1   18    4   32 o  170.450   4.7911   78.698   4.4016   80.564   6.0566   76.608   6.4080  172.602   6.4937  168.297   7.0462 4.305176 9.582122 
1 1 1   18    4   33 o  399.016   5.6134  430.533   12.095  422.338   16.741  439.482   17.494  395.054   7.8422  402.977   8.0338 -7.922455 11.22683 
1 1 1   18    4   34 o  209.430   4.6255  118.638   5.2269  118.524   7.1971  118.765   7.6035  209.330   6.3626  209.529   6.7156 -0.1992645 9.251040 
1 1 1   18    4   35 o  649.549   8.1779  1143.77   28.690  1170.73   41.365  1118.78   39.827  656.898   11.653  642.199   11.477 14.69836 16.35582 
1 1 1   18    4   36 o  375.787   6.4724  384.282   12.692  376.577   20.746  388.892   16.046  372.611   10.304  378.964   7.8356 -6.353271 12.94475 
1 1 1   18    4   37 f  647.357   11.482  1144.79   40.163  1142.57   56.440  1147.07   57.165  646.759   16.149  647.955   16.327 -1.196045 22.96439 
1 1 1   18    4   38 o   46.940   12.055   4.9609   3.9340   4.7905   5.2935   5.1712   5.8797   45.886   16.606   47.994   17.481 -2.108757 24.11075 
1 1 1   18    4   39 o  101.042   8.2372   27.812   4.4818   28.041   6.1035   27.545   6.6023  101.525   11.125  100.558   12.150 0.9672241 16.47446 
1 1 1   18    4   40 o  247.960   5.6700  166.236   7.1762  165.083   8.7928  168.536   12.419  246.842   6.5920  249.078   9.2271 -2.236496 11.33994 
1 1 1   18    4   41 o  145.938   5.4387   58.258   4.2522   63.595   5.8368   52.222   6.2073  153.167   7.0522  138.710   8.2814 14.45741 10.87731 
1 1 1   18    4   42 o  218.454   4.8339  129.671   5.6929  134.379   7.8815  124.535   8.2319  222.641   6.5511  214.267   7.1098 8.373825 9.667825 
1 1 1   18    4   43 o  138.577   5.8013   53.258   4.2552   61.906   5.8188   43.317   6.2385  151.018   7.1305  126.136   9.1528 24.88195 11.60253 
1 1 1   18    4   44 o  299.199   5.0356  243.161   8.1383  246.819   11.410  239.374   11.611  301.515   7.0033  296.884   7.2375 4.631012 10.07112 
1 1 1   18    4   45 o  282.452   4.9924  216.497   7.6099  212.294   10.457  221.227   11.095  279.571   6.9222  285.332   7.1958 -5.760986 9.984812 
1 1 1   18    4   46 o  186.918   5.1317   95.348   5.1634   99.417   7.0984   90.775   7.5244  191.233   6.8693  182.602   7.6257 8.630508 10.26344 
1 1 1   18    4   47 o  109.945   6.8768   32.724   4.0476   27.071   5.4416   39.725   6.0559   99.374   10.134  120.517   9.2990 -21.14373 13.75362 
1 1 1   18    4   48 o  125.925   6.2856   43.562   4.2524   45.461   5.7937   41.344   6.2609  129.012   8.3108  122.839   9.4323 6.172859 12.57126 
1 1 1   18    4   49 o  115.184   14.150   37.162   8.8073   0.0000   0.0000   37.162   8.8073  ?   ?   115.184   14.150      ?      ? 
1 1 1   18    4   50 o   53.260   14.506   5.6288   6.0793   9.5766   8.6172   1.7169   8.5779   59.692   21.236   46.828   19.767 12.86494 29.01208 
1 1 1   18    4   51 o   86.533   13.483   22.454   6.1434   26.284   8.9803   19.086   8.4227   93.847   18.366   79.219   19.746 14.62763 26.96692 
1 1 1   18    4   52 o   67.174   11.555   13.426   4.1546   12.714   5.7877   14.182   5.9673   65.312   16.418   69.037   16.264 -3.724419 23.10933 
1 1 1   18    4   53 o   39.525   11.455   2.0829   3.9087   2.6851   5.3387   1.3872   5.7384   40.192   16.126   38.857   16.273 1.334759 22.90967 
1 1 1   18    4   54 o   82.662   9.5262   19.542   4.1355   16.720   5.6191   22.876   6.1085   75.372   14.320   89.953   12.567 -14.58046 19.05249 
1 1 1   18    4   55 o  105.033   7.9227   30.771   4.4813   29.174   6.0426   32.723   6.6805  102.104   10.952  107.962   11.451 -5.858238 15.84535 
1 1 1   18    4   56 o   53.305   12.482   7.9697   4.3004   5.0022   5.8232   11.530   6.3780   45.485   17.236   61.125   18.058 -15.63990 24.96334 
1 1 1   18    4   57 o   98.528   8.9702   27.723   4.7435   23.679   6.5427   32.205   6.8871   90.669   13.354  106.386   11.980 -15.71668 17.94030 
1 1 1   18    4   58 o  112.627   8.3975   36.756   5.0518   41.712   7.0310   31.467   7.2634  121.157   10.739  104.096   12.913 17.06042 16.79506 
1 1 1   18    4   60 o   42.580   12.489   0.4363   5.3833   8.7274   7.4988  -8.3809   7.7330   53.110   19.676   32.050   15.389 21.06018 24.97885 
1 1 1   18    4   61 o   72.418   13.798   18.046   5.7087   23.387   8.1195   12.824   8.0279   83.924   18.410   60.912   20.558 23.01237 27.59636 
1 1 1   18    4   62 o  127.438   8.6157   48.505   5.9214   51.372   8.3408   45.592   8.4079  131.688   11.721  123.188   12.631 8.499748 17.23143 
1 1 1   18    5    0 o  694.576   12.139  1305.77   45.561   0.0000   0.0000  1305.77   45.561  ?   ?   694.576   12.139      ?      ? 
1 1 1   18    5    1 o  320.659   4.7822  277.991   8.2847  276.063   11.809  279.860   11.626  319.562   6.8387  321.756   6.6866 -2.194397 9.564488 
1 1 1   18    5    2 o  118.345   6.1095   37.857   3.9070   0.0000   0.0000   37.857   3.9070  ?   ?   118.345   6.1095      ?      ? 
1 1 1   18    5    3 o  661.713   11.617  1184.83   41.537   0.0000   0.0000  1184.83   41.537  ?   ?   661.713   11.617      ?      ? 
1 1 1   18    5    4 o  520.287   6.7033  730.500   18.812  757.602   27.617  707.037   25.695  529.261   9.6565  511.312   9.3000 17.94864 13.40660 
1 1 1   18    5    5 o  608.494   15.391  1002.93   50.606   0.0000   0.0000  1002.93   50.606  ?   ?   608.494   15.391      ?      ? 
1 1 1   18    5    6 o  212.696   5.3274  118.975   5.6330  114.145   6.6899  130.743   10.442  205.502   6.0244  219.890   8.7882 -14.38747 10.65483 
1 1 1   18    5    7 o  475.451   7.7168  625.769   19.299  535.135   29.579  692.949   25.466  444.696   12.309  506.206   9.3099 -61.51031 15.43357 
1 1 1   18    5    8 f  610.438   7.7012  1007.93   25.402  996.048   35.744  1020.05   36.107  606.803   10.901  614.073   10.881 -7.269470 15.40243 
1 1 1   18    5    9 o  449.449   5.9940  545.982   14.555  534.354   20.366  558.119   20.808  444.560   8.4780  454.339   8.4756 -9.778290 11.98802 
1 1 1   18    5   10 o  574.534   7.2940  892.745   22.645  887.797   31.994  897.711   32.054  572.938   10.334  576.130   10.296 -3.192078 14.58794 
1 1 1   18    5   11 o  577.932   10.311  903.290   32.202   0.0000   0.0000  903.290   32.202  ?   ?   577.932   10.311      ?      ? 
1 1 1   18    5   12 o  317.183   6.6553  271.921   11.407   0.0000   0.0000  271.921   11.407  ?   ?   317.183   6.6553      ?      ? 
1 1 1   18    5   13 o  840.809   12.526  1909.86   53.522  1929.73   93.384  1900.13   65.315  843.702   20.483  837.916   14.425 5.785522 25.05276 
1 1 1   18    5   14 o  467.350   7.4494  586.982   17.791  601.802   30.809  579.568   21.792  471.685   12.088  463.015   8.7099 8.669373 14.89876 
1 1 1   18    5   16 o  711.565   12.590  1369.81   48.410   0.0000   0.0000  1369.81   48.410  ?   ?   711.565   12.590      ?      ? 
1 1 1   18    5   17 o  617.559   11.154  1031.53   37.220   0.0000   0.0000  1031.53   37.220  ?   ?   617.559   11.154      ?      ? 
1 1 1   18    5   19 o  745.045   13.137  1502.06   52.889   0.0000   0.0000  1502.06   52.889  ?   ?   745.045   13.137      ?      ? 
1 1 1   18    5   20 o  653.039   11.752  1153.66   41.469   0.0000   0.0000  1153.66   41.469  ?   ?   653.039   11.752      ?      ? 
1 1 1   18    5   21 o  315.472   7.7228  269.048   13.165   0.0000   0.0000  269.048   13.165  ?   ?   315.472   7.7228      ?      ? 
1 1 1   18    5   22 o  868.596   15.095  2043.35   70.848   0.0000   0.0000  2043.35   70.848  ?   ?   868.596   15.095      ?      ? 
1 1 1   18    5   23 o  428.194   8.8268  495.836   20.424   0.0000   0.0000  495.836   20.424  ?   ?   428.194   8.8268      ?      ? 
1 1 1   18    5   24 o  230.572   8.1257  143.754   10.124   0.0000   0.0000  143.754   10.124  ?   ?   230.572   8.1257      ?      ? 
1 1 1   18    5   25 o  357.080   8.2791  344.780   15.975   0.0000   0.0000  344.780   15.975  ?   ?   357.080   8.2791      ?      ? 
1 1 1   18    5   26 o  383.423   8.0770  397.784   16.730  410.586   23.840  385.360   23.485  389.505   11.327  377.340   11.518 12.16528 16.15394 
1 1 1   18    5   27 o  317.587   4.8671  272.643   8.3519  276.740   11.900  268.666   11.724  319.937   6.8834  315.236   6.8829 4.701416 9.734241 
1 1 1   18    5   28 o  415.971   5.7276  467.921   12.874  467.145   18.111  468.713   18.303  415.624   8.0642  416.318   8.1359 -0.6937256 11.45528 
1 1 1   18    5   29 f   58.616   8.9705   9.6642   2.7637   11.166   3.9587   8.2358   3.8602   63.168   12.037   54.065   13.304 9.102962 17.94098 
1 1 1   18    5   30 o   70.631   8.1679   13.995   2.9585   18.011   4.1985   10.035   4.1696   81.579   9.5241   59.682   13.272 21.89703 16.33588 
1 1 1   18    5   31 o  611.421   7.7487  1012.34   25.601  1016.34   36.252  1008.36   36.159  612.627   10.951  610.214   10.966 2.412842 15.49747 
1 1 1   18    5   32 o  859.747   10.519  2006.91   48.856  2037.25   70.066  1978.20   68.159  866.040   14.972  853.454   14.779 12.58643 21.03794 
1 1 1   18    5   33 o  195.562   5.2178  103.053   5.4554  106.329   8.4043  100.669   7.1717  198.217   7.8465  192.906   6.8800 5.311798 10.43558 
1 1 1   18    5   34 o  437.964   8.2244  519.736   19.454  536.937   28.065  503.829   26.990  444.926   11.673  431.002   11.589 13.92343 16.44874 
1 1 1   18    5   35 o  184.613   5.9190   92.678   5.8790  100.698   8.2146   84.257   8.4174  192.859   7.8824  176.367   8.8323 16.49144 11.83809 
1 1 1   18    5   36 o  287.962   6.4091  224.899   9.9666  231.531   14.001  218.086   14.190  292.289   8.8649  283.635   9.2586 8.653442 12.81825 
1 1 1   18    5   37 o  241.482   8.9588  158.108   11.690   0.0000   0.0000  158.108   11.690  ?   ?   241.482   8.9588      ?      ? 
1 1 1   18    5   38 o  222.962   6.8825  134.630   8.2921   0.0000   0.0000  134.630   8.2921  ?   ?   222.962   6.8825      ?      ? 
1 1 1   18    5   39 o  546.648   7.1157  810.538   20.990  844.325   30.691  780.849   28.770  557.284   10.192  536.011   9.9329 21.27393 14.23137 
1 1 1   18    5   40 o  180.028   4.9491   87.480   4.7911   84.406   6.4194   91.346   7.1985  176.493   6.7310  183.563   7.2572 -7.069855 9.898161 
1 1 1   18    5   41 o  263.909   4.8357  188.892   6.8914  196.557   9.7335  181.187   9.7585  269.299   6.6888  258.519   6.9856 10.78027 9.671484 
1 1 1   18    5   42 o  165.739   5.1698   74.763   4.6094   77.169   6.2919   71.976   6.7720  168.665   6.9034  162.814   7.6973 5.851837 10.33953 
1 1 1   18    5   43 o  123.611   6.0361   41.503   4.0162   40.865   5.4274   42.275   5.9710  122.596   8.1927  124.625   8.8666 -2.028900 12.07214 
1 1 1   18    5   44 o   52.085   11.388   7.5695   3.5324   8.2876   4.6547   6.5941   5.4245   54.013   15.269   50.157   16.899 3.855438 22.77524 
1 1 1   18    5   45 o  130.938   5.9887   47.216   4.1821   50.772   5.6228   42.813   6.2566  136.619   7.6164  125.256   9.2438 11.36314 11.97741 
1 1 1   18    5   46 o  338.422   5.3385  311.889   9.7605  316.368   13.730  307.313   13.878  340.912   7.4531  335.933   7.6452 4.979462 10.67697 
1 1 1   18    5   47 o  221.277   4.9711  133.309   5.9266  134.120   8.0923  132.372   8.7040  222.066   6.7438  220.487   7.3055 1.578583 9.942252 
1 1 1   18    5   48 o  225.546   5.0206  138.502   6.1025  137.268   8.3142  139.943   8.9854  224.523   6.8529  226.570   7.3392 -2.047195 10.04116 
1 1 1   18    5   49 o  334.987   5.3837  306.331   9.7416  318.386   13.921  294.762   13.637  341.476   7.5441  328.499   7.6825 12.97623 10.76732 
1 1 1   18    5   50 o  161.161   6.9833   68.624   5.5216   64.783   6.4802   78.806   10.549  153.876   7.7934  168.446   11.590 -14.56996 13.96650 
1 1 1   18    5   51 o  237.308   7.7486  155.635   9.9169  167.275   14.569  145.586   13.537  245.531   10.981  229.085   10.936 16.44579 15.49719 
1 1 1   18    5   52 o   49.312   14.259   3.8499   6.0355   3.3266   8.6789   4.3401   8.3991   48.825   20.192   49.799   20.140 -0.9734459 28.51893 
1 1 1   18    5   53 f  141.802   6.1459   55.232   4.6983   52.364   6.3830   58.622   6.9408  137.841   8.5696  145.763   8.8120 -7.921768 12.29188 
1 1 1   18    5   54 o   70.997   10.762   14.643   4.1406   9.1399   5.5963   21.300   6.1548   55.411   17.036   86.583   13.155 -31.17169 21.52410 
1 1 1   18    5   55 o   86.144   10.276   22.908   4.4133   30.747   6.0374   13.911   6.4676  104.879   10.653   67.409   17.575 37.46970 20.55142 
1 1 1   18    5   56 o   84.598   10.256   20.839   4.4817   14.895   6.0392   28.124   6.6860   69.838   16.300   99.357   12.453 -29.51929 20.51277 
1 1 1   18    5   57 f  126.598   7.5538   46.055   5.0443   55.840   7.0361   35.707   7.2356  141.389   9.2094  111.806   11.976 29.58372 15.10770 
1 1 1   18    5   58 o   45.451   12.458   3.8220   4.8002   8.9738   6.5806  -2.0364   7.0174   54.273   18.611   36.629   16.566 17.64439 24.91590 
1 1 1   18    5   59 o  173.658   6.7404   82.216   6.2038   63.194   8.1240  108.826   9.6086  149.876   10.031  197.441   9.0060 -47.56488 13.48085 
1 1 1   18    5   60 o  104.940   9.1586   32.988   5.1477   38.190   7.3709   28.035   7.1923  113.758   11.991   96.123   13.847 17.63544 18.31715 
1 1 1   18    5   61 o  126.287   8.0045   46.741   5.3896   52.935   7.4537   39.954   7.8023  136.005   10.142  116.568   12.387 19.43709 16.00903 
1 1 1   18    5   62 o  115.562   8.8117   40.669   5.3984   47.470   7.5015   33.363   7.7749  127.085   10.924  104.039   13.830 23.04667 17.62342 
1 1 1   18    6    0 o  832.445   12.449  1872.99   52.669  1862.21   64.271  1895.05   91.902  829.278   14.343  835.612   20.353 -6.333740 24.89895 
1 1 1   18    6    1 o  298.070   4.7299  240.148   7.6086  240.428   11.046  239.895   10.496  298.232   6.8541  297.908   6.5199 0.3234558 9.459790 
1 1 1   18    6    2 o  1032.63   12.477  2890.48   69.618  2897.65   98.913  2883.45   98.003  1033.88   17.705  1031.37   17.585 2.512573 24.95362 
1 1 1   18    6    4 o  698.299   10.662  1317.77   37.811  1312.37   46.123  1328.83   66.027  696.402   12.257  700.195   17.451 -3.793396 21.32486 
1 1 1   18    6    5 o  667.413   16.737  1206.98   60.362   0.0000   0.0000  1206.98   60.362  ?   ?   667.413   16.737      ?      ? 
1 1 1   18    6    6 o  601.454   9.5044  955.335   28.005  1035.58   53.084  924.388   32.965  618.309   15.888  584.598   10.435 33.71155 19.00870 
1 1 1   18    6    7 o  240.125   5.9549  150.467   6.5934  166.374   13.803  145.765   7.5050  248.018   10.299  232.231   5.9806 15.78743 11.90982 
1 1 1   18    6    8 o  709.931   8.8034  1363.65   33.768  1370.54   48.183  1357.01   47.338  711.685   12.529  708.178   12.370 3.507507 17.60681 
1 1 1   18    6    9 f  338.943   5.0236  310.417   9.1933  313.397   13.304  307.693   12.719  340.497   7.2304  337.390   6.9763 3.107147 10.04726 
1 1 1   18    6   10 f  686.358   8.5534  1274.42   31.723  1268.80   44.791  1280.06   44.936  684.841   12.103  687.874   12.089 -3.033203 17.10676 
1 1 1   18    6   11 o  1037.86   12.578  2917.28   70.530  2884.21   98.597  2951.94  100.933  1031.86   17.683  1043.87   17.894 -12.01147 25.15690 
1 1 1   18    6   13 o  699.406   8.6982  1323.14   32.873  1312.38   46.320  1334.06   46.661  696.539   12.306  702.272   12.296 -5.732422 17.39640 
1 1 1   18    6   14 o  879.291   12.998  2109.91   59.037  2041.22   98.455  2148.48   73.772  867.675   20.999  890.907   15.324 -23.23206 25.99550 
1 1 1   18    6   15 o  557.059   10.158  839.900   30.535  840.541   42.111  839.189   44.343  557.308   13.983  556.809   14.738 0.4985962 20.31570 
1 1 1   18    6   17 o  804.609   14.128  1752.21   61.425   0.0000   0.0000  1752.21   61.425  ?   ?   804.609   14.128      ?      ? 
1 1 1   18    6   19 o  242.758   7.4969  159.303   9.8343   0.0000   0.0000  159.303   9.8343  ?   ?   242.758   7.4969      ?      ? 
1 1 1   18    6   21 f  699.313   12.527  1323.46   47.337   0.0000   0.0000  1323.46   47.337  ?   ?   699.313   12.527      ?      ? 
1 1 1   18    6   23 o  119.422   12.141   38.602   7.8344   0.0000   0.0000   38.602   7.8344  ?   ?   119.422   12.141      ?      ? 
1 1 1   18    6   25 o  562.094   10.704  854.859   32.513   0.0000   0.0000  854.859   32.513  ?   ?   562.094   10.704      ?      ? 
1 1 1   18    6   26 o  134.531   9.6127   48.864   6.9677   47.072   9.4346   51.014   10.334  131.836   13.243  137.227   13.937 -5.390884 19.22546 
1 1 1   18    6   27 o  287.970   6.7613  224.195   10.521   0.0000   0.0000  224.195   10.521  ?   ?   287.970   6.7613      ?      ? 
1 1 1   18    6   28 o  331.214   5.0606  296.455   9.0540  302.767   13.024  290.551   12.596  334.622   7.2026  327.805   7.1108 6.817200 10.12130 
1 1 1   18    6   29 o  438.841   8.4869  520.995   20.125   0.0000   0.0000  520.995   20.125  ?   ?   438.841   8.4869      ?      ? 
1 1 1   18    6   30 o  461.566   7.6508  537.422   16.974  664.189   34.110  495.699   19.569  495.080   12.750  428.053   8.4602 67.02716 15.30164 
1 1 1   18    6   31 o  589.472   10.494  929.753   33.069  1034.23   51.517  856.531   43.127  617.118   15.449  561.826   14.206 55.29205 20.98735 
1 1 1   18    6   32 o  479.805   8.8225  624.097   22.862  612.838   31.726  636.261   32.975  475.325   12.352  484.285   12.601 -8.959961 17.64493 
1 1 1   18    6   33 o  430.078   8.1157  495.955   18.711  459.685   24.650  545.270   28.743  411.784   11.078  448.372   11.863 -36.58780 16.23137 
1 1 1   18    6   34 o  213.502   8.4338  123.423   9.7300   0.0000   0.0000  123.423   9.7300  ?   ?   213.502   8.4338      ?      ? 
1 1 1   18    6   35 o  840.329   10.337  1921.94   46.925  1951.54   67.299  1893.93   65.464  846.584   14.711  834.075   14.525 12.50854 20.67339 
1 1 1   18    6   36 o  576.281   7.4095  900.364   23.056  926.973   33.397  876.133   31.869  584.382   10.576  568.179   10.380 16.20294 14.81892 
1 1 1   18    6   37 f  132.464   5.6034   48.179   3.9547   52.951   5.3496   42.429   5.8723  139.831   7.0799  125.096   8.6872 14.73590 11.20682 
1 1 1   18    6   38 o  274.063   4.8246  203.506   7.1410  205.477   9.9635  201.424   10.240  275.440   6.6941  272.685   6.9494 2.755859 9.649123 
1 1 1   18    6   39 o  144.668   5.3723   56.580   4.1836   54.890   5.6396   58.649   6.2387  142.291   7.3347  147.046   7.8515 -4.755280 10.74452 
1 1 1   18    6   40 o  247.680   4.8137  166.396   6.4352  170.141   8.9540  162.396   9.2549  250.586   6.6126  244.774   6.9971 5.811783 9.627384 
1 1 1   18    6   41 o  245.288   4.8243  163.329   6.3865  170.414   8.9587  156.007   9.1068  250.730   6.6123  239.846   7.0266 10.88356 9.648591 
1 1 1   18    6   42 o  158.105   5.2906   67.883   4.5085   67.982   6.1632   67.769   6.6124  158.258   7.2070  157.953   7.7472 0.3048859 10.58112 
1 1 1   18    6   43 o  325.486   5.1934  287.031   9.1231  304.815   13.282  271.147   12.553  335.009   7.3370  315.963   7.3522 19.04581 10.38685 
1 1 1   18    6   44 o   65.458   10.232   12.436   3.5875   14.893   4.7975   9.3184   5.4032   73.677   12.050   57.239   16.539 16.43867 20.46328 
1 1 1   18    6   45 o  203.868   4.9616  113.488   5.4406  123.259   7.5901  103.162   7.8025  213.007   6.5943  194.729   7.4151 18.27824 9.923112 
1 1 1   18    6   46 o  316.127   5.1907  272.091   8.8650  275.567   12.458  268.525   12.617  318.204   7.2455  314.051   7.4348 4.152374 10.38141 
1 1 1   18    6   47 o  256.052   4.9582  178.499   6.8526  179.253   9.4811  177.673   9.9156  256.666   6.8360  255.439   7.1836 1.227615 9.916413 
1 1 1   18    6   48 o   99.050   7.5299   27.270   3.9859   29.034   5.3728   25.111   5.9442  102.814   9.6707   95.286   11.545 7.527214 15.05989 
1 1 1   18    6   49 o  211.284   5.0424  121.829   5.7479  122.656   7.9269  120.912   8.3471  212.101   6.9163  210.467   7.3394 1.633240 10.08471 
1 1 1   18    6   50 o  202.811   5.2062  112.701   5.6894  116.764   7.8496  108.204   8.2578  206.777   7.0252  198.845   7.6853 7.931808 10.41241 
1 1 1   18    6   51 o   86.850   14.482   23.005   6.7089   19.583   9.2639   26.779   9.7287   79.702   21.157   93.997   19.780 -14.29509 28.96311 
1 1 1   18    6   52 o  108.494   12.391   34.624   7.0386   29.167   9.7236   40.631   10.202   98.147   19.021  118.841   15.886 -20.69430 24.78264 
1 1 1   18    6   53 o   52.544   12.765   0.8145   5.0914   17.995   9.0862  -7.0491   6.1471   75.589   21.321   29.499   14.042 46.09051 25.52971 
1 1 1   18    6   54 o  165.469   5.8006   75.771   5.1641   81.085   7.1666   70.031   7.4479  171.714   7.7236  159.225   8.6564 12.48889 11.60116 
1 1 1   18    6   55 o   55.863   12.139   8.9958   4.1718   5.5318   5.6928   13.014   6.1313   46.553   17.163   65.172   17.170 -18.61911 24.27751 
1 1 1   18    6   56 o  120.984   7.3512   41.188   4.7823   42.784   6.5366   39.350   7.0152  123.772   9.7734  118.197   10.984 5.575043 14.70230 
1 1 1   18    6   57 f   83.386   10.505   20.663   4.6090   17.699   6.2432   24.214   6.8329   75.855   15.746   90.916   13.908 -15.06085 21.00938 
1 1 1   18    6   58 o   39.235   16.777   1.2089   6.3168   1.2089   6.3168   0.0000   0.0000   39.235   16.777  ?   ?       ?      ? 
1 1 1   18    6   59 o   33.624   15.441  -3.1691   6.4009  -3.1691   6.4009   0.0000   0.0000   33.624   15.441  ?   ?       ?      ? 
1 1 1   18    6   60 o   37.156   11.689   0.0358   4.7519   1.4479   6.5277  -1.5561   6.9309   38.602   16.783   35.710   16.273 2.892342 23.37714 
1 1 1   18    6   61 o   96.605   9.9170   28.326   5.1359   30.017   7.0144   26.373   7.5405  100.502   12.916   92.709   15.052 7.793091 19.83401 
1 1 1   18    7    0 o  567.469   10.178  871.656   31.204  858.333   43.646  885.586   44.630  563.039   14.346  571.899   14.442 -8.860352 20.35574 
1 1 1   18    7    1 o  915.730   15.710  2276.58   77.721  2248.20  108.659  2306.31  111.215  909.912   22.099  921.547   22.333 -11.63495 31.41907 
1 1 1   18    7    2 o  210.399   5.7359  119.694   6.5089  119.527   9.4982  119.842   8.9374  210.256   8.3600  210.542   7.8557 -0.2859497 11.47175 
1 1 1   18    7    3 o  478.409   9.0851  618.900   23.487  618.900   23.487   0.0000   0.0000  478.409   9.0851  ?   ?       ?      ? 
1 1 1   18    7    4 o  429.191   8.4057  498.042   19.494  498.042   19.494   0.0000   0.0000  429.191   8.4057  ?   ?       ?      ? 
1 1 1   18    7    5 o  392.813   7.0180  408.820   13.442  436.937   25.602  398.120   15.794  401.870   11.790  383.756   7.6164 18.11401 14.03596 
1 1 1   18    7    6 f  623.408   9.8534  1020.24   29.899  1125.00   57.510  981.432   35.001  644.446   16.515  602.370   10.753 42.07623 19.70685 
1 1 1   18    7    7 o  643.850   8.1274  1121.36   28.276  1112.44   39.920  1130.35   40.057  641.277   11.520  646.423   11.468 -5.145813 16.25471 
1 1 1   18    7    8 o  387.880   7.6775  406.702   16.092   0.0000   0.0000  406.702   16.092  ?   ?   387.880   7.6775      ?      ? 
1 1 1   18    7    9 o  495.929   6.5395  664.887   17.523  654.500   24.626  675.541   24.940  492.005   9.2628  499.852   9.2336 -7.846924 13.07890 
1 1 1   18    7   10 o  975.102   16.702  2574.71   88.005   0.0000   0.0000  2574.71   88.005  ?   ?   975.102   16.702      ?      ? 
1 1 1   18    7   11 o  542.787   9.9555  796.620   29.200   0.0000   0.0000  796.620   29.200  ?   ?   542.787   9.9555      ?      ? 
1 1 1   18    7   12 o  929.152   11.289  2337.09   56.679  2322.53   79.826  2351.89   80.490  926.236   15.949  932.068   15.981 -5.831726 22.57796 
1 1 1   18    7   14 o  164.024   4.3560   72.579   3.8400   73.972   5.7615   71.466   5.1510  165.435   6.4449  162.614   5.8620 2.821182 8.712028 
1 1 1   18    7   15 o  181.693   5.1450   89.215   5.0514   0.0000   0.0000   89.215   5.0514  ?   ?   181.693   5.1450      ?      ? 
1 1 1   18    7   16 f  609.709   10.740  1005.41   35.384   0.0000   0.0000  1005.41   35.384  ?   ?   609.709   10.740      ?      ? 
1 1 1   18    7   17 o  465.790   12.009  586.937   30.227   0.0000   0.0000  586.937   30.227  ?   ?   465.790   12.009      ?      ? 
1 1 1   18    7   18 o  537.515   10.174  781.347   29.551   0.0000   0.0000  781.347   29.551  ?   ?   537.515   10.174      ?      ? 
1 1 1   18    7   20 o  879.159   15.346  2093.41   72.904   0.0000   0.0000  2093.41   72.904  ?   ?   879.159   15.346      ?      ? 
1 1 1   18    7   23 o  271.164   8.4492  198.835   12.380   0.0000   0.0000  198.835   12.380  ?   ?   271.164   8.4492      ?      ? 
1 1 1   18    7   24 f  706.026   17.817  1352.03   67.975   0.0000   0.0000  1352.03   67.975  ?   ?   706.026   17.817      ?      ? 
1 1 1   18    7   25 o  251.215   11.436  170.811   15.525   0.0000   0.0000  170.811   15.525  ?   ?   251.215   11.436      ?      ? 
1 1 1   18    7   27 o  610.169   10.868  956.186   34.421  832.658   42.159  1203.15   59.611  554.346   14.074  665.991   16.564 -111.6453 21.73607 
1 1 1   18    7   28 o  181.503   6.0575   60.530   4.8614  172.095   10.959   33.198   5.4243  252.238   8.0405  110.769   9.0624 141.4688 12.11508 
1 1 1   18    7   29 o  502.543   9.1544  672.244   24.523  757.207   38.716  615.315   31.691  528.517   13.556  476.570   12.306 51.94681 18.30882 
1 1 1   18    7   30 o  319.365   5.8747  276.738   9.8608  279.399   12.594  272.522   15.852  321.407   7.2513  317.323   9.2449 4.083832 11.74941 
1 1 1   18    7   31 f  303.658   7.0750  249.439   11.609   0.0000   0.0000  249.439   11.609  ?   ?   303.658   7.0750      ?      ? 
1 1 1   18    7   32 o  392.077   7.9375  416.040   16.817   0.0000   0.0000  416.040   16.817  ?   ?   392.077   7.9375      ?      ? 
1 1 1   18    7   33 o  554.627   7.1848  833.465   21.530  842.431   30.742  824.833   30.164  557.547   10.204  551.707   10.118 5.840271 14.36968 
1 1 1   18    7   34 o  549.596   7.1419  817.099   21.178  850.388   31.009  788.002   28.992  560.036   10.247  539.156   9.9512 20.88007 14.28372 
1 1 1   18    7   35 o  680.929   8.5484  1258.64   31.429  1292.46   45.559  1227.93   43.413  689.603   12.226  672.255   11.951 17.34821 17.09670 
1 1 1   18    7   36 o  439.181   6.0545  522.745   14.367  529.563   20.465  516.117   20.175  442.003   8.5683  436.358   8.5564 5.645386 12.10901 
1 1 1   18    7   37 o  292.451   4.9496  231.628   7.8211  236.266   11.113  227.075   11.010  295.355   6.9627  289.546   7.0368 5.809570 9.899266 
1 1 1   18    7   38 o  294.300   7.0910  234.720   11.277   0.0000   0.0000  234.720   11.277  ?   ?   294.300   7.0910      ?      ? 
1 1 1   18    7   39 f  365.797   5.4517  362.668   10.773  373.778   15.461  352.185   15.018  371.239   7.7070  360.355   7.7126 10.88382 10.90332 
1 1 1   18    7   40 o  554.321   7.2337  835.915   21.662  850.948   31.081  821.716   30.206  559.143   10.287  549.500   10.173 9.643677 14.46737 
1 1 1   18    7   41 f  205.350   4.8831  114.465   5.4145  117.544   7.5841  111.265   7.7326  208.187   6.7416  202.512   7.0662 5.674194 9.766260 
1 1 1   18    7   42 o  178.061   5.0757   86.189   4.8721   93.325   6.9070   79.121   6.8735  185.440   6.8928  170.682   7.4525 14.75851 10.15138 
1 1 1   18    7   43 o  195.222   4.9761  103.601   5.2413  109.972   7.4025   97.196   7.4221  201.279   6.8060  189.165   7.2610 12.11360 9.952124 
1 1 1   18    7   44 o  139.438   5.7965   53.528   4.2776   66.510   6.0903   40.890   6.0093  156.433   7.2048  122.444   9.0824 33.98861 11.59305 
1 1 1   18    7   45 o  298.483   5.0979  242.379   8.2201  250.230   11.676  234.664   11.574  303.300   7.1243  293.667   7.2938 9.633118 10.19586 
1 1 1   18    7   46 o  128.082   6.1680   44.724   4.2613   43.464   5.8230   46.177   6.2526  126.172   8.5408  129.992   8.9014 -3.819847 12.33608 
1 1 1   18    7   47 o   36.678   10.734   0.8283   3.5895   3.1181   4.9200  -1.7775   5.2486   40.555   15.721   32.801   14.620 7.754158 21.46881 
1 1 1   18    7   48 o  138.748   5.9831   52.552   4.4775   50.356   6.1086   55.101   6.5821  135.652   8.3335  141.844   8.5874 -6.192062 11.96621 
1 1 1   18    7   49 o   62.871   11.286   11.381   3.8742   8.6545   5.1871   14.821   5.8263   54.661   16.317   71.081   15.597 -16.42008 22.57262 
1 1 1   18    7   50 o   48.763   11.659   6.1474   3.9100   9.5470   5.3254   2.1715   5.7592   56.993   16.405   40.532   16.570 16.46053 23.31780 
1 1 1   18    7   51 o   55.732   11.738   9.6319   4.8066   15.321   5.5355  -7.8018   9.6905   72.305   14.669   39.160   18.328 33.14597 23.47565 
1 1 1   18    7   52 o  147.277   9.7009   61.462   7.7052   60.248   10.532   62.860   11.302  145.896   13.359  148.658   14.070 -2.761292 19.40189 
1 1 1   18    7   53 o   40.720   13.154  -4.3332   6.5213  -1.5583   8.9121  -7.5315   9.5679   42.742   19.051   38.699   18.144 4.042820 26.30872 
1 1 1   18    7   54 o  120.132   10.632   40.306   6.9020   0.0000   0.0000   40.306   6.9020  ?   ?   120.132   10.632      ?      ? 
1 1 1   18    7   55 o  108.247   8.0254   33.669   4.5929   39.442   6.3133   27.179   6.6943  118.864   9.8292   97.630   12.689 21.23389 16.05070 
1 1 1   18    7   56 f   56.289   9.3955   7.1239   4.3014   20.225   5.7994  -8.8970   6.4131   84.033   12.771   28.545   13.784 55.48806 18.79093 
1 1 1   18    7   57 o  139.650   6.9637   55.833   5.1639   63.049   7.0352   47.405   7.6036  150.245   8.6654  129.055   10.903 21.18924 13.92732 
1 1 1   18    7   58 o  109.336   11.780   34.130   6.9600   34.130   6.9600   0.0000   0.0000  109.336   11.780  ?   ?       ?      ? 
1 1 1   18    7   59 o   34.578   11.264  -3.2172   4.8823  -1.6439   6.4722  -5.2945   7.4371   35.208   15.918   33.947   15.942 1.260883 22.52846 
1 1 1   18    7   60 o   49.076   12.895   6.4824   4.7684   2.5017   6.4607   11.245   7.0671   40.448   17.119   57.703   19.289 -17.25516 25.79043 
1 1 1   18    7   61 o   45.548   12.488   5.0660   4.8355   9.7936   6.4610  -0.9540   7.2909   53.913   18.441   37.182   16.845 16.73071 24.97662 
1 1 1   18    8    0 o  187.748   4.6642   95.289   4.7129   95.149   6.9825   95.406   6.3872  187.617   6.8873  187.878   6.2914 -0.2608032 9.328313 
1 1 1   18    8    1 o  148.022   6.5957   59.223   5.2756   0.0000   0.0000   59.223   5.2756  ?   ?   148.022   6.5957      ?      ? 
1 1 1   18    8    2 o  426.297   7.1813  481.029   15.333  519.144   27.928  464.582   18.346  438.056   11.799  414.539   8.1900 23.51773 14.36252 
1 1 1   18    8    3 o  737.456   18.197  1473.87   72.516  1473.87   72.516   0.0000   0.0000  737.456   18.197  ?   ?       ?      ? 
1 1 1   18    8    4 o  180.073   7.7737   87.658   7.5642   0.0000   0.0000   87.658   7.5642  ?   ?   180.073   7.7737      ?      ? 
1 1 1   18    8    5 o  430.618   11.412  501.577   26.556   0.0000   0.0000  501.577   26.556  ?   ?   430.618   11.412      ?      ? 
1 1 1   18    8    6 o  196.223   5.7552  104.081   6.0774  104.167   9.0129  104.009   8.2299  196.292   8.4971  196.153   7.7645 0.1386871 11.51037 
1 1 1   18    8    7 o  761.266   13.184  1570.13   54.231  1558.11   76.259  1582.43   77.138  758.322   18.610  764.210   18.680 -5.888184 26.36788 
1 1 1   18    8    8 o  598.890   10.616  970.481   34.345  982.883   49.298  958.784   47.877  602.598   15.140  595.183   14.886 7.415405 21.23227 
1 1 1   18    8    9 f  749.502   12.983  1519.25   52.511  1567.12   76.704  1477.03   72.039  760.563   18.664  738.442   18.054 22.12103 25.96647 
1 1 1   18    8   10 o  756.519   13.086  1550.34   53.493  1558.33   76.169  1542.57   75.143  758.434   18.585  754.605   18.428 3.829285 26.17270 
1 1 1   18    8   11 o  1121.81   19.056  3419.36  115.499  3452.70  165.090  3387.39  161.645  1127.12   27.106  1116.49   26.793 10.63672 38.11277 
1 1 1   18    8   12 o  631.677   11.097  1078.97   37.844  1050.00   52.216  1111.04   54.925  622.769   15.516  640.584   15.867 -17.81543 22.19304 
1 1 1   18    8   13 o  223.998   5.5238  135.088   6.6715  124.167   9.1281  147.613   9.7749  214.317   7.8820  233.679   7.7411 -19.36215 11.04767 
1 1 1   18    8   14 o  458.095   8.4025  567.085   20.785  552.027   28.757  583.558   30.077  451.739   11.781  464.452   11.984 -12.71259 16.80490 
1 1 1   18    8   15 o  739.440   18.067  1481.53   72.189   0.0000   0.0000  1481.53   72.189  ?   ?   739.440   18.067      ?      ? 
1 1 1   18    8   16 o  464.317   8.5719  582.868   21.507   0.0000   0.0000  582.868   21.507  ?   ?   464.317   8.5719      ?      ? 
1 1 1   18    8   17 o  272.289   5.9563  200.382   8.7638   0.0000   0.0000  200.382   8.7638  ?   ?   272.289   5.9563      ?      ? 
1 1 1   18    8   19 o  833.297   14.312  1880.17   64.445   0.0000   0.0000  1880.17   64.445  ?   ?   833.297   14.312      ?      ? 
1 1 1   18    8   20 o  410.378   10.765  455.631   23.872   0.0000   0.0000  455.631   23.872  ?   ?   410.378   10.765      ?      ? 
1 1 1   18    8   24 o  738.807   18.150  1481.31   72.461   0.0000   0.0000  1481.31   72.461  ?   ?   738.807   18.150      ?      ? 
1 1 1   18    8   25 o  464.692   8.4720  584.003   21.273   0.0000   0.0000  584.003   21.273  ?   ?   464.692   8.4720      ?      ? 
1 1 1   18    8   26 o  313.113   6.1208  269.219   8.4919  258.108   18.165  272.326   9.6063  308.819   10.885  317.408   5.6008 -8.589539 12.24156 
1 1 1   18    8   27 o  394.890   7.9766  421.776   17.021   0.0000   0.0000  421.776   17.021  ?   ?   394.890   7.9766      ?      ? 
1 1 1   18    8   28 o  250.291   6.6657  169.394   9.0152   0.0000   0.0000  169.394   9.0152  ?   ?   250.291   6.6657      ?      ? 
1 1 1   18    8   29 o  464.563   6.2874  583.612   15.778  569.925   21.951  598.241   22.694  458.935   8.8513  470.191   8.9319 -11.25632 12.57474 
1 1 1   18    8   30 o   83.897   9.4964   19.058   4.3052   0.0000   0.0000   19.058   4.3052  ?   ?    83.897   9.4964      ?      ? 
1 1 1   18    8   31 f  468.395   8.9164  594.013   22.568   0.0000   0.0000  594.013   22.568  ?   ?   468.395   8.9164      ?      ? 
1 1 1   18    8   32 o  391.118   5.6331  414.027   11.903  415.248   17.020  412.859   16.652  391.676   8.0419  390.561   7.8903 1.114624 11.26626 
1 1 1   18    8   33 o  446.522   8.6301  539.978   20.823   0.0000   0.0000  539.978   20.823  ?   ?   446.522   8.6301      ?      ? 
1 1 1   18    8   34 f  112.458   6.2233   33.737   3.7516   38.964   5.7562   29.877   4.9465  119.909   8.8837  105.006   8.7176 14.90305 12.44655 
1 1 1   18    8   35 o  288.789   6.9221  225.793   10.802   0.0000   0.0000  225.793   10.802  ?   ?   288.789   6.9221      ?      ? 
1 1 1   18    8   36 o  162.417   5.1743   71.695   4.5256   67.225   6.5355   75.813   6.2728  157.516   7.6783  167.318   6.9380 -9.801331 10.34855 
1 1 1   18    8   37 o  361.875   7.6511  354.980   14.961   0.0000   0.0000  354.980   14.961  ?   ?   361.875   7.6511      ?      ? 
1 1 1   18    8   38 o  241.029   4.8386  157.388   6.3004  159.340   9.0332  155.540   8.7918  242.478   6.8941  239.580   6.7911 2.898315 9.677203 
1 1 1   18    8   39 o  400.380   5.7756  434.483   12.486  448.636   18.101  421.635   17.246  406.577   8.2387  394.183   8.0967 12.39413 11.55129 
1 1 1   18    8   40 o  147.475   5.4757   58.896   4.3584   62.180   6.3501   55.972   5.9929  151.350   7.7644  143.601   7.7231 7.749695 10.95137 
1 1 1   18    8   41 o  305.983   7.2101  254.150   11.921   0.0000   0.0000  254.150   11.921  ?   ?   305.983   7.2101      ?      ? 
1 1 1   18    8   42 o  282.431   5.0280  216.082   7.6646  228.052   11.164  205.408   10.542  289.810   7.1286  275.052   7.0927 14.75735 10.05604 
1 1 1   18    8   43 o   85.976   8.0997   20.315   3.7501   18.674   5.3563   21.893   5.2521   82.500   12.015   89.452   10.866 -6.951340 16.19944 
1 1 1   18    8   44 o   54.132   11.543   8.2852   3.6637   7.6422   5.2759   8.8840   5.0916   52.506   16.604   55.758   16.039 -3.252186 23.08565 
1 1 1   18    8   45 o  215.585   7.0740  126.447   8.2408   0.0000   0.0000  126.447   8.2408  ?   ?   215.585   7.0740      ?      ? 
1 1 1   18    8   46 o   44.291   11.611   4.3767   3.7151   3.3806   5.2457   5.3791   5.2621   41.998   16.247   46.585   16.592 -4.587341 23.22170 
1 1 1   18    8   47 o   56.740   9.6748   7.9737   3.8060   17.891   5.4159  -1.7031   5.3498   80.277   12.485   33.203   14.783 47.07369 19.34960 
1 1 1   18    8   48 o  118.798   6.6722   38.708   4.2776   36.088   5.9253   41.559   6.1818  114.579   9.5702  123.017   9.2995 -8.438026 13.34431 
1 1 1   18    8   49 o   52.654   11.702   7.7576   3.8319   5.0259   5.4036   10.521   5.4349   45.610   16.736   59.697   16.362 -14.08705 23.40495 
1 1 1   18    8   50 o  233.680   5.1338  149.211   6.4797  146.407   9.0005  152.228   9.3359  231.426   7.1973  235.934   7.3228 -4.508072 10.26766 
1 1 1   18    8   51 o   96.383   21.366   28.851   10.836   0.0000   0.0000   28.851   10.836  ?   ?    96.383   21.366      ?      ? 
1 1 1   18    8   52 o   59.068   14.294   6.9725   6.8443   19.074   9.3459  -7.0248   10.051   77.753   21.516   40.383   18.823 37.36996 28.58729 
1 1 1   18    8   53 f  193.532   8.8646  106.241   9.2416  112.432   12.865   99.640   13.284  199.793   11.916  187.270   13.127 12.52267 17.72921 
1 1 1   18    8   54 o  205.417   5.4673  116.149   6.0634  122.553   8.6288  109.904   8.5219  211.091   7.5648  199.743   7.8955 11.34756 10.93453 
1 1 1   18    8   55 o   56.149   12.612   9.5377   4.3733   11.452   6.0244   7.4050   6.3585   60.958   17.419   51.340   18.244 9.617889 25.22451 
1 1 1   18    8   56 o   78.769   11.244   19.395   4.6547   23.936   6.3493   14.120   6.8439   91.012   12.910   66.526   18.413 24.48574 22.48794 
1 1 1   18    8   57 o   33.914   10.983  -3.5242   4.6555  -0.3832   6.1382  -7.7784   7.1434   36.405   16.039   31.424   15.008 4.981462 21.96559 
1 1 1   18    8   58 o   88.913   12.078   27.619   5.6199   40.141   7.4240   10.814   8.6005  118.625   11.582   59.201   21.199 59.42423 24.15611 
1 1 1   18    8   59 o  166.495   6.8872   78.814   6.1649   69.949   8.2771   89.860   9.2391  156.003   9.8188  176.987   9.6605 -20.98483 13.77436 
1 1 1   18    8   60 o   48.502   13.280   6.5666   4.9598   5.8961   6.8728   7.2954   7.1647   47.058   18.485   49.945   19.072 -2.887466 26.56011 
1 1 1   18    8   61 o  162.779   6.7698   76.550   5.9367   77.965   8.1430   74.945   8.6736  164.844   9.1417  160.714   9.9875 4.129593 13.53963 
1 1 1   18    9    0 o  316.737   5.0844  270.865   8.6918  277.206   12.660  265.209   11.955  320.238   7.3157  313.237   7.0629 7.001373 10.16879 
1 1 1   18    9    1 o  504.931   6.7161  689.215   18.319  695.535   26.272  683.234   25.557  507.180   9.5863  502.682   9.4088 4.497589 13.43214 
1 1 1   18    9    2 o  677.568   10.481  1242.41   36.148  1241.89   44.233  1243.47   62.723  677.560   12.081  677.576   17.131 -0.1574707E-01 20.96248 
1 1 1   18    9    3 o  1377.71   16.497  5150.41  122.797  5192.25  175.374  5110.15  171.999  1383.16   23.464  1372.25   23.195 10.90869 32.99389 
1 1 1   18    9    4 o  399.836   7.3252  432.080   14.519  432.883   26.473  431.735   17.364  400.033   12.247  399.638   8.0405 0.3942261 14.65039 
1 1 1   18    9    5 o  1075.49   12.979  3133.44   75.431  3128.37  106.636  3138.52  106.717  1074.62   18.364  1076.36   18.348 -1.744507 25.95893 
1 1 1   18    9    6 o  337.308   5.2601  307.287   9.5731  311.905   13.973  303.202   13.142  339.691   7.6122  334.925   7.2615 4.766296 10.52023 
1 1 1   18    9    7 o  960.382   11.665  2497.23   60.534  2488.13   85.453  2506.40   85.765  958.627   16.496  962.138   16.496 -3.511963 23.32930 
1 1 1   18    9    9 o  899.510   13.382  2195.53   61.550  2183.11  105.631  2201.91   75.735  897.153   21.789  901.867   15.541 -4.713440 26.76313 
1 1 1   18    9   10 o  579.510   14.650  909.009   45.875  909.009   45.875   0.0000   0.0000  579.510   14.650  ?   ?       ?      ? 
1 1 1   18    9   11 o  423.908   7.1134  481.638   15.443  499.324   26.694  472.741   18.933  429.649   11.498  418.168   8.3787 11.48126 14.22679 
1 1 1   18    9   12 o  974.159   14.512  2548.50   71.161  2641.89  127.213  2505.97   85.850  986.392   23.867  961.926   16.516 24.46667 29.02418 
1 1 1   18    9   13 o  429.436   7.2895  471.217   15.428  565.991   29.560  435.733   18.087  457.407   11.960  401.466   8.3376 55.94141 14.57899 
1 1 1   18    9   14 o  583.705   14.658  922.297   46.234  922.297   46.234   0.0000   0.0000  583.705   14.658  ?   ?       ?      ? 
1 1 1   18    9   15 o  1207.04   16.734  3946.31  109.148   0.0000   0.0000  3946.31  109.148  ?   ?   1207.04   16.734      ?      ? 
1 1 1   18    9   16 o  1302.13   18.034  4595.09  126.893   0.0000   0.0000  4595.09  126.893  ?   ?   1302.13   18.034      ?      ? 
1 1 1   18    9   17 o  734.637   10.553  1459.80   41.891   0.0000   0.0000  1459.80   41.891  ?   ?   734.637   10.553      ?      ? 
1 1 1   18    9   18 f  918.988   15.778  2288.06   78.354   0.0000   0.0000  2288.06   78.354  ?   ?   918.988   15.778      ?      ? 
1 1 1   18    9   19 o  401.897   6.4672  436.621   14.045   0.0000   0.0000  436.621   14.045  ?   ?   401.897   6.4672      ?      ? 
1 1 1   18    9   20 o  484.305   7.3493  634.133   19.233   0.0000   0.0000  634.133   19.233  ?   ?   484.305   7.3493      ?      ? 
1 1 1   18    9   21 o  192.981   4.8789  100.649   5.0877   0.0000   0.0000  100.649   5.0877  ?   ?   192.981   4.8789      ?      ? 
1 1 1   18    9   22 o  139.782   5.0084   52.808   3.7830   0.0000   0.0000   52.808   3.7830  ?   ?   139.782   5.0084      ?      ? 
1 1 1   18    9   23 o  963.800   13.476  2515.95   70.184   0.0000   0.0000  2515.95   70.184  ?   ?   963.800   13.476      ?      ? 
1 1 1   18    9   24 o  265.998   4.9439  191.232   7.1061   0.0000   0.0000  191.232   7.1061  ?   ?   265.998   4.9439      ?      ? 
1 1 1   18    9   25 o  321.488   5.3145  279.361   9.2324   0.0000   0.0000  279.361   9.2324  ?   ?   321.488   5.3145      ?      ? 
1 1 1   18    9   26 o  338.692   6.6788  317.636   11.442  289.189   19.590  332.364   14.096  326.816   11.093  350.568   7.4412 -23.75116 13.35768 
1 1 1   18    9   27 o  615.153   9.8234  991.151   29.309  1105.18   56.833  949.839   34.208  637.999   16.485  592.307   10.688 45.69226 19.64680 
1 1 1   18    9   28 o  951.325   16.375  2457.79   84.177   0.0000   0.0000  2457.79   84.177  ?   ?   951.325   16.375      ?      ? 
1 1 1   18    9   29 o  401.172   8.0555  435.494   17.463   0.0000   0.0000  435.494   17.463  ?   ?   401.172   8.0555      ?      ? 
1 1 1   18    9   30 o  341.111   7.3710  314.825   13.587   0.0000   0.0000  314.825   13.587  ?   ?   341.111   7.3710      ?      ? 
1 1 1   18    9   31 o  197.453   4.9570  105.736   5.2456  103.419   7.8954  107.567   7.0186  195.493   7.4740  199.412   6.5135 -3.919022 9.913966 
1 1 1   18    9   32 o  567.551   10.353  873.211   31.750   0.0000   0.0000  873.211   31.750  ?   ?   567.551   10.353      ?      ? 
1 1 1   18    9   33 o  445.709   6.1424  537.395   14.781  517.668   20.400  559.197   21.447  437.119   8.6366  454.300   8.7365 -17.18079 12.28484 
1 1 1   18    9   34 o  358.985   7.5679  349.022   14.680   0.0000   0.0000  349.022   14.680  ?   ?   358.985   7.5679      ?      ? 
1 1 1   18    9   35 o  408.631   8.1600  452.551   18.018   0.0000   0.0000  452.551   18.018  ?   ?   408.631   8.1600      ?      ? 
1 1 1   18    9   36 o  357.625   7.5489  346.612   14.588   0.0000   0.0000  346.612   14.588  ?   ?   357.625   7.5489      ?      ? 
1 1 1   18    9   37 o  216.320   4.9029  126.605   5.7185  129.824   8.4125  123.839   7.7969  218.855   7.1135  213.785   6.7493 5.070297 9.805842 
1 1 1   18    9   38 f  329.920   5.2635  294.955   9.3749  299.249   13.594  291.061   12.946  332.187   7.5732  327.652   7.3119 4.534882 10.52696 
1 1 1   18    9   39 o  108.229   6.9707   32.371   3.9888   29.083   6.1276   34.789   5.2546  103.293   10.978  113.165   8.5930 -9.872200 13.94134 
1 1 1   18    9   40 o  233.889   4.9245  147.595   6.2008  157.866   9.2689  139.275   8.3426  241.192   7.1117  226.586   6.8137 14.60588 9.849011 
1 1 1   18    9   41 o  238.385   6.7707  154.211   8.7217   0.0000   0.0000  154.211   8.7217  ?   ?   238.385   6.7707      ?      ? 
1 1 1   18    9   42 o  116.518   6.4156   36.745   4.0220   39.629   6.0403   34.447   5.3908  120.577   9.2705  112.459   8.8710 8.117790 12.83113 
1 1 1   18    9   43 o  151.096   5.4859   61.873   4.4630   64.973   6.6568   59.342   6.0151  154.490   7.9740  147.702   7.5364 6.787872 10.97189 
1 1 1   18    9   44 o  269.494   5.0620  197.442   7.3671  201.637   10.644  193.584   10.207  272.219   7.2363  266.768   7.0805 5.451416 10.12407 
1 1 1   18    9   45 o  192.672   5.2525  100.799   5.4588  109.425   7.9535   93.116   7.5058  200.460   7.3425  184.885   7.5129 15.57509 10.50505 
1 1 1   18    9   46 o  272.759   5.0827  202.647   7.4893  196.155   10.481  209.418   10.705  268.284   7.2299  277.233   7.1460 -8.949127 10.16547 
1 1 1   18    9   47 o   33.349   10.299  -1.8630   3.6137   1.8961   5.4488  -4.8148   4.8284   39.384   16.111   27.314   12.833 12.07080 20.59744 
1 1 1   18    9   48 o   93.025   8.2831   24.318   4.1078   20.477   5.9315   27.858   5.6943   85.632   12.819  100.418   10.494 -14.78648 16.56623 
1 1 1   18    9   49 o  143.475   6.0802   56.570   4.7105   54.461   6.6909   58.643   6.6327  140.767   8.7961  146.182   8.3968 -5.414551 12.16050 
1 1 1   18    9   50 o   89.880   8.9124   22.712   4.3123   20.525   6.0990   24.898   6.0979   85.378   13.220   94.382   11.956 -9.003792 17.82476 
1 1 1   18    9   51 o  129.361   9.4690   46.001   5.8856   44.398   6.8555   50.495   11.478  126.499   10.029  132.223   16.064 -5.723930 18.93806 
1 1 1   18    9   52 o  124.595   11.237   44.538   7.5055   37.680   10.082   53.063   11.241  113.671   16.414  135.519   15.350 -21.84837 22.47334 
1 1 1   18    9   53 o   69.807   16.042   15.153   7.4630   21.568   10.019   7.1554   11.186   82.048   22.102   57.566   23.256 24.48225 32.08311 
1 1 1   18    9   54 o   86.197   10.349   22.003   4.6373   17.629   6.5484   26.403   6.5679   76.135   16.401   96.258   12.627 -20.12311 20.69878 
1 1 1   18    9   55 o  141.384   6.7542   55.860   5.1546   57.448   7.1991   54.188   7.3838  143.577   9.2791  139.191   9.8170 4.386230 13.50836 
1 1 1   18    9   56 o  194.710   5.8745  105.588   6.1675  105.219   8.4451  106.009   9.0283  194.537   8.0337  194.884   8.5732 -0.3467255 11.74907 
1 1 1   18    9   57 f  198.076   6.1802  108.438   6.5729  101.886   8.7240  117.042   9.9962  191.418   8.4342  204.733   9.0356 -13.31555 12.36036 
1 1 1   18    9   58 o   62.686   13.683   12.929   5.0876   12.666   6.9190   13.239   7.5068   62.183   18.910   63.188   19.781 -1.005821 27.36581 
1 1 1   18    9   59 o  109.541   9.0835   35.762   5.3718   34.808   7.4077   36.820   7.8012  108.137   12.677  110.945   13.013 -2.807541 18.16695 
1 1 1   18    9   60 o  105.427   9.5571   33.539   5.4349   30.983   7.5016   36.362   7.8850  101.019   13.742  109.835   13.285 -8.815926 19.11416 
1 1 1   18   10    0 o  1004.49   12.198  2732.45   66.209  2724.68   93.553  2740.25   93.716  1003.06   17.260  1005.93   17.241 -2.864929 24.39578 
1 1 1   18   10    1 o  715.491   11.041  1380.63   40.015  1371.14   48.658  1400.45   70.329  711.940   12.648  719.042   18.101 -7.101929 22.08182 
1 1 1   18   10    3 o  580.042   9.3818  906.112   27.272  921.396   48.940  899.228   32.844  583.427   15.524  576.657   10.540 6.769409 18.76364 
1 1 1   18   10    4 o  735.835   13.007  1464.87   51.717   0.0000   0.0000  1464.87   51.717  ?   ?   735.835   13.007      ?      ? 
1 1 1   18   10    5 o  249.909   5.0269  168.747   6.7807  170.072   9.8446  167.552   9.3529  250.839   7.2630  248.978   6.9518 1.861389 10.05379 
1 1 1   18   10    6 o  400.487   5.8476  433.558   12.651  434.955   18.128  432.232   17.664  401.114   8.3635  399.861   8.1749 1.252472 11.69522 
1 1 1   18   10    7 o  536.974   7.0872  779.710   20.562  779.876   29.286  779.548   28.877  537.027   10.092  536.921   9.9529 0.1065674 14.17434 
1 1 1   18   10    8 o  310.805   7.3178  261.117   12.290   0.0000   0.0000  261.117   12.290  ?   ?   310.805   7.3178      ?      ? 
1 1 1   18   10   10 o  609.138   7.8552  1003.58   25.855  994.494   36.488  1012.74   36.643  606.368   11.136  611.907   11.082 -5.539185 15.71039 
1 1 1   18   10   11 o  424.513   8.5091  487.211   19.519   0.0000   0.0000  487.211   19.519  ?   ?   424.513   8.5091      ?      ? 
1 1 1   18   10   12 o  229.168   5.0650  141.919   6.2663  142.876   9.0741  141.046   8.6640  229.905   7.3041  228.432   7.0190 1.473145 10.12996 
1 1 1   18   10   13 o  596.974   10.912  963.904   35.202   0.0000   0.0000  963.904   35.202  ?   ?   596.974   10.912      ?      ? 
1 1 1   18   10   14 o  932.393   13.027  2368.36   57.628  2331.08  112.358  2381.66   67.130  926.675   22.438  938.112   13.243 -11.43701 26.05453 
1 1 1   18   10   15 o  756.360   9.4032  1547.03   38.432   0.0000   0.0000  1547.03   38.432  ?   ?   756.360   9.4032      ?      ? 
1 1 1   18   10   16 o  351.778   5.5456  334.455   10.542   0.0000   0.0000  334.455   10.542  ?   ?   351.778   5.5456      ?      ? 
1 1 1   18   10   17 o  455.751   6.3407  561.458   15.615   0.0000   0.0000  561.458   15.615  ?   ?   455.751   6.3407      ?      ? 
1 1 1   18   10   18 o  735.654   13.135  1465.27   52.214   0.0000   0.0000  1465.27   52.214  ?   ?   735.654   13.135      ?      ? 
1 1 1   18   10   19 o  687.127   12.052  1277.87   44.749   0.0000   0.0000  1277.87   44.749  ?   ?   687.127   12.052      ?      ? 
1 1 1   18   10   20 o  858.409   12.122  1994.39   56.227   0.0000   0.0000  1994.39   56.227  ?   ?   858.409   12.122      ?      ? 
1 1 1   18   10   21 o  353.974   6.0874  338.695   11.644   0.0000   0.0000  338.695   11.644  ?   ?   353.974   6.0874      ?      ? 
1 1 1   18   10   22 o  752.447   9.4220  1531.58   38.310   0.0000   0.0000  1531.58   38.310  ?   ?   752.447   9.4220      ?      ? 
1 1 1   18   10   23 o  446.862   8.7756  540.087   21.190   0.0000   0.0000  540.087   21.190  ?   ?   446.862   8.7756      ?      ? 
1 1 1   18   10   24 o  391.379   5.9084  414.075   12.496   0.0000   0.0000  414.075   12.496  ?   ?   391.379   5.9084      ?      ? 
1 1 1   18   10   25 o  598.218   7.7926  967.923   25.190   0.0000   0.0000  967.923   25.190  ?   ?   598.218   7.7926      ?      ? 
1 1 1   18   10   26 o  468.980   6.5059  594.702   16.487   0.0000   0.0000  594.702   16.487  ?   ?   468.980   6.5059      ?      ? 
1 1 1   18   10   27 o  963.272   13.899  2437.71   59.335  2682.43  131.083  2374.65   66.543  990.625   24.488  935.919   13.158 54.70593 27.79880 
1 1 1   18   10   28 o  205.370   5.2484  115.582   5.7296  104.329   8.6677  124.315   7.6359  196.348   8.1693  214.391   6.5912 -18.04297 10.49675 
1 1 1   18   10   29 o  388.051   5.7312  406.729   12.005  385.430   16.564  430.302   17.425  377.369   8.1228  398.734   8.0875 -21.36502 11.46244 
1 1 1   18   10   30 o  277.257   6.8402  207.966   10.248   0.0000   0.0000  207.966   10.248  ?   ?   277.257   6.8402      ?      ? 
1 1 1   18   10   31 o  316.330   7.1866  270.793   12.284   0.0000   0.0000  270.793   12.284  ?   ?   316.330   7.1866      ?      ? 
1 1 1   18   10   32 o  154.681   5.4972   64.161   4.4761   67.507   7.2778   62.126   5.6769  157.858   8.5319  151.504   6.9342 6.353729 10.99434 
1 1 1   18   10   33 o  459.945   8.8571  573.436   22.013   0.0000   0.0000  573.436   22.013  ?   ?   459.945   8.8571      ?      ? 
1 1 1   18   10   34 o  255.393   5.0032  176.982   6.8854  171.224   10.021  182.130   9.4763  251.426   7.3762  259.361   6.7615 -7.935425 10.00631 
1 1 1   18   10   35 o  150.252   5.6982   61.413   4.5268   60.170   7.1465   62.247   5.8501  148.923   8.8807  151.581   7.1422 -2.658600 11.39636 
1 1 1   18   10   36 o   98.691   7.5812   26.106   3.8613   27.833   6.6041   25.209   4.7596  101.038   12.096   96.344   9.1425 4.694145 15.16233 
1 1 1   18   10   37 o  353.052   7.5755  338.012   14.452   0.0000   0.0000  338.012   14.452  ?   ?   353.052   7.5755      ?      ? 
1 1 1   18   10   38 o   97.028   7.4618   24.782   3.8148   29.500   6.3009   22.051   4.7931  104.027   11.209   90.030   9.8525 13.99676 14.92362 
1 1 1   18   10   39 o  257.490   5.0780  179.829   7.0486  181.096   10.348  178.733   9.6273  258.299   7.4141  256.681   6.9410 1.617767 10.15606 
1 1 1   18   10   40 f   69.607   9.7347   11.361   3.6366   25.529   6.3146   4.3306   4.4483   96.541   12.105   42.674   15.249 53.86711 19.46943 
1 1 1   18   10   41 o  104.695   7.1103   29.094   3.9243   33.614   6.4526   26.440   4.9436  110.893   10.768   98.496   9.2884 12.39716 14.22063 
1 1 1   18   10   42 o   48.679   10.972   6.4534   3.5477   1.4643   5.7731   9.4805   4.4969   39.901   16.482   57.457   14.487 -17.55577 21.94411 
1 1 1   18   10   43 o  161.232   5.5337   71.156   4.7837   67.581   7.1178   74.102   6.4603  157.427   8.3672  165.037   7.2441 -7.610291 11.06738 
1 1 1   18   10   44 o  145.532   5.8840   57.267   4.5943   62.049   7.0197   53.684   6.0765  150.747   8.6175  140.317   8.0140 10.42964 11.76797 
1 1 1   18   10   45 o   62.676   11.225   10.999   3.7891   14.561   5.9708   8.5969   4.9029   70.683   16.005   54.669   15.743 16.01413 22.44956 
1 1 1   18   10   46 o   60.392   11.253   10.885   3.8293   7.4136   5.7131   13.717   5.1601   51.987   17.343   68.796   14.345 -16.80870 22.50688 
1 1 1   18   10   47 o  135.339   6.1830   49.798   4.5023   55.440   6.7476   45.270   6.0446  142.182   8.7825  128.497   8.7054 13.68439 12.36592 
1 1 1   18   10   48 o  232.099   5.1303  147.180   6.4292  148.603   9.2984  145.876   8.8992  233.127   7.3812  231.071   7.1272 2.056030 10.26055 
1 1 1   18   10   49 o  119.305   6.9058   39.069   4.4362   42.105   6.6251   36.601   5.9729  123.438   9.9324  115.173   9.5972 8.264305 13.81156 
1 1 1   18   10   50 o  187.630   5.5647   96.122   5.6264  104.247   8.3365   89.325   7.6248  194.855   7.9174  180.405   7.8216 14.44983 11.12936 
1 1 1   18   10   51 o  110.950   21.341   38.378   12.330   0.0000   0.0000   38.378   12.330  ?   ?   110.950   21.341      ?      ? 
1 1 1   18   10   52 o   64.453   16.501   12.168   7.3630   11.534   9.9184   12.946   10.990   62.926   22.737   65.980   23.919 -3.053688 33.00127 
1 1 1   18   10   53 o  136.424   12.779   58.440   8.4592   78.986   11.724   36.126   12.217  166.503   13.031  106.344   21.987 60.15901 25.55825 
1 1 1   18   10   54 o   63.619   12.702   12.678   4.6551   9.6402   6.8241   15.323   6.3664   56.655   18.955   70.583   16.913 -13.92798 25.40332 
1 1 1   18   10   55 o  135.537   7.2155   51.835   5.2815   51.760   7.5950   51.904   7.3493  135.340   10.385  135.734   10.020 -0.3940430 14.43100 
1 1 1   18   10   56 o  269.838   5.6902  202.165   8.2920  210.912   11.770  193.545   11.684  275.767   7.8985  263.910   8.1930 11.85641 11.38037 
1 1 1   18   10   57 o  248.242   5.9387  171.292   7.9561  168.921   10.949  173.945   11.581  246.575   8.2174  249.909   8.5758 -3.333847 11.87730 
1 1 1   18   10   58 o   35.146   11.483  -2.9170   5.0986  -4.1197   6.9369  -1.5038   7.5194   33.126   15.505   37.167   16.942 -4.041401 22.96603 
1 1 1   18   10   59 o  144.663   9.4801   61.800   7.3725   70.698   11.031   54.617   9.9112  154.148   13.243  135.179   13.568 18.96939 18.96013 
1 1 1   18   10   60 o   47.117   13.611   3.4586   6.3498  -7.3694   9.3384   12.770   8.6598   35.552   17.028   58.682   21.239 -23.12962 27.22207 
1 1 1   18   11    0 o  1003.16   15.033  2715.64   76.281  2690.85   92.595  2768.02  134.570  996.728   17.192  1009.60   24.667 -12.86804 30.06671 
1 1 1   18   11    1 o  979.603   11.950  2589.33   63.068  2480.98   85.331  2719.79   93.630  957.156   16.498  1002.05   17.292 -44.89508 23.89956 
1 1 1   18   11    2 o  148.527   9.6585   67.502   6.2483   46.396   12.417   74.658   7.2304  130.871   17.559  166.184   8.0516 -35.31383 19.31694 
1 1 1   18   11    3 o   73.963   11.320   15.332   4.3650   15.805   6.6172   14.967   5.8079   74.922   16.764   73.003   15.216 1.918732 22.63956 
1 1 1   18   11    4 o  1222.04   14.711  4049.92   97.144  4034.17  136.952  4065.86  137.818  1219.65   20.780  1224.42   20.830 -4.771118 29.42258 
1 1 1   18   11    6 o  560.598   7.3921  849.402   22.385  829.498   31.177  870.582   32.161  553.825   10.418  567.371   10.490 -13.54547 14.78416 
1 1 1   18   11    7 o  796.469   9.8799  1715.66   42.501  1679.63   58.996  1754.54   61.280  787.792   13.859  805.146   14.085 -17.35388 19.75978 
1 1 1   18   11    9 o  373.597   5.7916  377.403   11.688  374.231   16.704  380.446   16.360  372.056   8.3087  375.139   8.0707 -3.082977 11.58322 
1 1 1   18   11   10 o  747.954   9.3773  1513.03   37.887  1482.84   52.730  1545.24   54.473  740.254   13.182  755.655   13.340 -15.40057 18.75467 
1 1 1   18   11   11 o  564.653   10.505  862.302   32.052   0.0000   0.0000  862.302   32.052  ?   ?   564.653   10.505      ?      ? 
1 1 1   18   11   12 o  646.299   8.3170  1130.06   29.045  1130.04   41.229  1130.08   40.926  646.290   11.805  646.309   11.718 -0.1861572E-01 16.63407 
1 1 1   18   11   13 o  530.199   7.1437  760.147   20.465  749.739   28.688  770.931   29.201  526.505   10.083  533.892   10.122 -7.387085 14.28736 
1 1 1   18   11   14 o  317.642   5.6907  277.932   9.1408  257.883   15.746  288.124   11.226  308.797   9.4364  326.487   6.3633 -17.68964 11.38139 
1 1 1   18   11   15 o  272.595   8.1879  200.925   12.061   0.0000   0.0000  200.925   12.061  ?   ?   272.595   8.1879      ?      ? 
1 1 1   18   11   16 o  263.841   5.3360  188.145   7.6076   0.0000   0.0000  188.145   7.6076  ?   ?   263.841   5.3360      ?      ? 
1 1 1   18   11   17 o  337.638   6.5772  308.168   12.000   0.0000   0.0000  308.168   12.000  ?   ?   337.638   6.5772      ?      ? 
1 1 1   18   11   18 o  372.599   5.9180  375.250   11.915   0.0000   0.0000  375.250   11.915  ?   ?   372.599   5.9180      ?      ? 
1 1 1   18   11   19 o  792.419   13.748  1700.57   58.868   0.0000   0.0000  1700.57   58.868  ?   ?   792.419   13.748      ?      ? 
1 1 1   18   11   21 o  236.174   5.6138  150.768   7.1643   0.0000   0.0000  150.768   7.1643  ?   ?   236.174   5.6138      ?      ? 
1 1 1   18   11   22 o  494.367   6.8356  660.756   18.261   0.0000   0.0000  660.756   18.261  ?   ?   494.367   6.8356      ?      ? 
1 1 1   18   11   23 f  706.814   8.9683  1351.54   34.253   0.0000   0.0000  1351.54   34.253  ?   ?   706.814   8.9683      ?      ? 
1 1 1   18   11   24 o  807.348   10.039  1764.28   43.799   0.0000   0.0000  1764.28   43.799  ?   ?   807.348   10.039      ?      ? 
1 1 1   18   11   25 o  370.541   6.2518  371.226   12.518   0.0000   0.0000  371.226   12.518  ?   ?   370.541   6.2518      ?      ? 
1 1 1   18   11   26 o  279.029   7.5669  210.602   11.409   0.0000   0.0000  210.602   11.409  ?   ?   279.029   7.5669      ?      ? 
1 1 1   18   11   27 o  215.209   6.9839  128.720   7.0432  118.806   13.761  132.240   8.1985  209.313   12.166  221.105   6.8619 -11.79179 13.96786 
1 1 1   18   11   28 o  845.384   12.839  1951.77   55.271  1936.04   95.528  1959.68   67.765  841.574   21.006  849.194   14.768 -7.620178 25.67784 
1 1 1   18   11   29 o  474.184   9.1084  608.939   23.339   0.0000   0.0000  608.939   23.339  ?   ?   474.184   9.1084      ?      ? 
1 1 1   18   11   30 o  661.478   8.3937  1186.38   29.985  1157.14   41.548  1218.17   43.318  653.002   11.775  669.953   11.966 -16.95117 16.78743 
1 1 1   18   11   31 o   80.508   9.7465   18.261   3.8231   17.113   6.7334   18.807   4.6444   77.748   16.536   83.268   10.322 -5.519485 19.49294 
1 1 1   18   11   32 o  336.209   7.3980  306.104   13.440   0.0000   0.0000  306.104   13.440  ?   ?   336.209   7.3980      ?      ? 
1 1 1   18   11   33 o  220.785   6.7184  131.978   8.0153   0.0000   0.0000  131.978   8.0153  ?   ?   220.785   6.7184      ?      ? 
1 1 1   18   11   34 o  304.438   7.0863  251.073   11.657   0.0000   0.0000  251.073   11.657  ?   ?   304.438   7.0863      ?      ? 
1 1 1   18   11   35 o  399.502   8.1172  432.976   17.523   0.0000   0.0000  432.976   17.523  ?   ?   399.502   8.1172      ?      ? 
1 1 1   18   11   36 o  327.672   7.3520  291.098   13.018   0.0000   0.0000  291.098   13.018  ?   ?   327.672   7.3520      ?      ? 
1 1 1   18   11   37 o  314.196   7.2135  267.700   12.247   0.0000   0.0000  267.700   12.247  ?   ?   314.196   7.2135      ?      ? 
1 1 1   18   11   38 o   81.110   10.228   21.022   3.9213   12.029   6.6751   25.760   4.8456   64.917   18.262   97.303   9.2157 -32.38686 20.45532 
1 1 1   18   11   39 o  270.208   6.9968  198.168   10.216   0.0000   0.0000  198.168   10.216  ?   ?   270.208   6.9968      ?      ? 
1 1 1   18   11   40 o  152.514   5.8372   62.930   4.7034   64.887   7.5351   61.681   6.0202  154.344   9.0347  150.683   7.3936 3.660599 11.67438 
1 1 1   18   11   41 o  314.658   7.2975  269.083   12.408   0.0000   0.0000  269.083   12.408  ?   ?   314.658   7.2975      ?      ? 
1 1 1   18   11   42 o  261.562   6.9991  186.020   9.8925   0.0000   0.0000  186.020   9.8925  ?   ?   261.562   6.9991      ?      ? 
1 1 1   18   11   43 o  175.543   5.5702   84.973   5.2009   77.317   7.8689   90.912   6.9306  168.282   8.6534  182.805   7.0161 -14.52269 11.14034 
1 1 1   18   11   44 o  206.331   7.0025  115.888   7.8073   0.0000   0.0000  115.888   7.8073  ?   ?   206.331   7.0025      ?      ? 
1 1 1   18   11   45 o   86.943   8.7975   20.057   4.0402   26.211   6.5849   16.342   5.1164   97.146   12.544   76.741   12.338 20.40496 17.59491 
1 1 1   18   11   46 o   48.287   10.498   5.7828   3.8336  -4.1964   6.2730   11.732   4.8434   33.110   15.235   63.463   14.447 -30.35328 20.99581 
1 1 1   18   11   47 o  292.226   7.3461  233.410   11.600   0.0000   0.0000  233.410   11.600  ?   ?   292.226   7.3461      ?      ? 
1 1 1   18   11   48 o  211.337   5.3908  122.756   6.1301  113.040   8.8234  131.822   8.5230  203.066   8.0410  219.608   7.1822 -16.54167 10.78151 
1 1 1   18   11   49 f   47.301   12.276   5.5517   4.0811   5.4608   6.2836   5.6181   5.3673   47.889   17.957   46.714   16.744 1.174774 24.55279 
1 1 1   18   11   50 o  231.683   12.656  151.419   15.844   0.0000   0.0000  151.419   15.844  ?   ?   231.683   12.656      ?      ? 
1 1 1   18   11   51 o  170.892   9.6934   81.869   8.8494   74.032   11.506   93.221   13.847  161.390   13.193  180.394   14.205 -19.00383 19.38673 
1 1 1   18   11   52 o  146.587   11.203   63.698   8.6479   75.315   11.881   50.608   12.611  162.500   13.531  130.673   17.860 31.82675 22.40686 
1 1 1   18   11   53 o  214.424   7.2249  126.980   7.5845  133.040   14.214  124.568   8.9679  216.382   12.157  212.466   7.8111 3.915756 14.44983 
1 1 1   18   11   54 o  229.031   7.9598  145.166   9.8512   0.0000   0.0000  145.166   9.8512  ?   ?   229.031   7.9598      ?      ? 
1 1 1   18   11   55 o   53.304   12.870   7.6969   4.7827   13.550   7.0519   2.7109   6.5084   64.717   18.951   41.891   17.418 22.82585 25.73967 
1 1 1   18   11   56 o  111.908   10.538   38.145   5.5518   18.996   7.5695   60.438   8.1674   77.394   18.374  146.422   10.323 -69.02853 21.07536 
1 1 1   18   11   57 o   48.632   14.535   4.6829   6.5883   2.8986   10.032   6.0360   8.7364   47.486   20.723   49.779   20.386 -2.293102 29.06968 
1 1 1   18   11   58 o   62.076   15.057   11.264   6.5499   23.108   10.434   3.5608   8.4143   78.775   23.047   45.377   19.382 33.39795 30.11392 
1 1 1   18   11   59 o  112.202   12.339   40.213   7.1871   51.689   11.060   31.824   9.4558  127.592   16.041   96.812   18.753 30.78040 24.67751 
1 1 1   18   12    0 o  684.995   10.813  1240.91   36.660  1199.33   43.461  1343.47   68.257  665.828   12.079  704.161   17.939 -38.33276 21.62654 
1 1 1   18   12    1 o  635.343   10.186  1095.87   32.721  1083.33   57.349  1101.92   39.842  632.434   16.781  638.252   11.552 -5.818176 20.37295 
1 1 1   18   12    2 o  519.364   8.9609  709.484   22.540  775.676   43.632  685.388   26.325  535.274   15.085  503.455   9.6765 31.81955 17.92173 
1 1 1   18   12    3 o  863.756   10.665  2018.15   49.749  1972.07   68.972  2068.12   71.827  853.502   14.955  874.010   15.208 -20.50861 21.32928 
1 1 1   18   12    6 o  504.744   6.9279  688.700   18.888  696.718   27.149  681.177   26.296  507.586   9.8983  501.902   9.6958 5.684265 13.85582 
1 1 1   18   12    7 o  416.871   6.1653  469.883   13.887  466.159   19.706  473.558   19.573  415.228   8.7828  418.514   8.6549 -3.286652 12.33066 
1 1 1   18   12    8 o  684.385   8.7178  1266.54   32.228  1240.73   44.852  1294.09   46.340  677.186   12.257  691.583   12.400 -14.39661 17.43553 
1 1 1   18   12    9 o  157.543   6.2328   67.107   5.3055   65.790   7.4795   68.441   7.5269  155.986   8.8735  159.100   8.7551 -3.113159 12.46560 
1 1 1   18   12   10 o  890.698   11.013  2147.10   52.979  2100.01   73.520  2197.97   76.410  880.563   15.451  900.833   15.697 -20.26904 22.02567 
1 1 1   18   12   11 o  388.631   5.9972  407.889   12.587  393.107   17.445  423.943   18.179  381.295   8.4666  395.966   8.4961 -14.67148 11.99450 
1 1 1   18   12   12 o  452.374   6.5281  553.462   15.956  551.685   22.699  555.198   22.434  451.652   9.3007  453.095   9.1630 -1.442230 13.05615 
1 1 1   18   12   13 o   91.691   11.918   22.754   5.9051   22.754   5.9051   0.0000   0.0000   91.691   11.918  ?   ?       ?      ? 
1 1 1   18   12   14 o  125.726   7.0972   42.796   4.6859   30.338   6.3883   57.304   6.8942  105.885   11.165  145.566   8.7647 -39.68171 14.19442 
1 1 1   18   12   15 o  142.926   7.0906   55.225   5.4762   0.0000   0.0000   55.225   5.4762  ?   ?   142.926   7.0906      ?      ? 
1 1 1   18   12   16 o  274.695   5.5882  203.949   8.2950   0.0000   0.0000  203.949   8.2950  ?   ?   274.695   5.5882      ?      ? 
1 1 1   18   12   17 o  344.694   8.6735  321.318   16.155   0.0000   0.0000  321.318   16.155  ?   ?   344.694   8.6735      ?      ? 
1 1 1   18   12   18 o  478.358   6.7419  618.628   17.427   0.0000   0.0000  618.628   17.427  ?   ?   478.358   6.7419      ?      ? 
1 1 1   18   12   19 o  650.717   8.4057  1145.16   29.557   0.0000   0.0000  1145.16   29.557  ?   ?   650.717   8.4057      ?      ? 
1 1 1   18   12   21 o  164.635   8.1049   73.305   7.2104   0.0000   0.0000   73.305   7.2104  ?   ?   164.635   8.1049      ?      ? 
1 1 1   18   12   22 o  284.942   5.4871  219.482   8.4486   0.0000   0.0000  219.482   8.4486  ?   ?   284.942   5.4871      ?      ? 
1 1 1   18   12   23 o  294.662   8.3233  234.883   13.253   0.0000   0.0000  234.883   13.253  ?   ?   294.662   8.3233      ?      ? 
1 1 1   18   12   24 o  374.422   5.9325  379.026   12.003   0.0000   0.0000  379.026   12.003  ?   ?   374.422   5.9325      ?      ? 
1 1 1   18   12   25 o  461.700   9.0536  576.997   22.587   0.0000   0.0000  576.997   22.587  ?   ?   461.700   9.0536      ?      ? 
1 1 1   18   12   26 o  533.522   10.009  771.048   28.855   0.0000   0.0000  771.048   28.855  ?   ?   533.522   10.009      ?      ? 
1 1 1   18   12   27 o  169.035   7.8029   82.083   6.0654   68.536   11.844   86.899   7.0616  158.859   13.797  179.211   7.2921 -20.35164 15.60585 
1 1 1   18   12   28 o  126.990   8.3885   41.203   3.9721   47.365   11.041   40.286   4.2571  131.944   15.485  122.036   6.4557 9.907997 16.77706 
1 1 1   18   12   29 f  112.684   8.5819   34.390   5.2256   0.0000   0.0000   34.390   5.2256  ?   ?   112.684   8.5819      ?      ? 
1 1 1   18   12   30 o  148.852   6.2491   60.112   4.8006   59.808   8.0809   60.278   5.9679  148.495   10.071  149.210   7.4018 -0.7149048 12.49819 
1 1 1   18   12   31 o  111.124   7.2938   31.663   4.1430   39.243   7.4307   28.244   4.9907  120.184   11.442  102.065   9.0488 18.11826 14.58762 
1 1 1   18   12   32 o  241.678   6.8045  158.151   8.8862   0.0000   0.0000  158.151   8.8862  ?   ?   241.678   6.8045      ?      ? 
1 1 1   18   12   33 o  241.332   6.6986  157.735   8.7354   0.0000   0.0000  157.735   8.7354  ?   ?   241.332   6.6986      ?      ? 
1 1 1   18   12   34 o  265.920   5.2334  192.480   7.4744  183.674   11.048  199.911   10.150  260.231   7.8568  271.608   6.9155 -11.37640 10.46674 
1 1 1   18   12   35 o  318.264   7.2544  274.599   12.476   0.0000   0.0000  274.599   12.476  ?   ?   318.264   7.2544      ?      ? 
1 1 1   18   12   36 o  285.359   7.0374  220.780   10.851   0.0000   0.0000  220.780   10.851  ?   ?   285.359   7.0374      ?      ? 
1 1 1   18   12   37 o  244.715   5.1879  163.277   6.8106  155.344   10.116  169.855   9.2108  239.178   7.8271  250.253   6.8113 -11.07498 10.37580 
1 1 1   18   12   38 o  323.136   7.3294  283.529   12.798   0.0000   0.0000  283.529   12.798  ?   ?   323.136   7.3294      ?      ? 
1 1 1   18   12   39 o  216.335   5.2595  126.719   6.0646  129.687   9.4327  124.629   7.9179  218.396   7.9929  214.275   6.8384 4.120132 10.51901 
1 1 1   18   12   40 o  141.698   6.4690   56.362   4.7325   48.619   7.6242   61.215   6.0362  133.329   10.582  150.067   7.4437 -16.73769 12.93805 
1 1 1   18   12   41 o  199.415   5.3861  107.215   5.7333  114.631   8.9439  102.041   7.4699  205.123   8.0690  193.706   7.1365 11.41713 10.77213 
1 1 1   18   12   42 o  132.445   6.3998   46.423   4.4688   54.811   7.3619   41.530   5.6233  141.520   9.6269  123.369   8.4352 18.15021 12.79959 
1 1 1   18   12   43 o   90.081   9.5586   24.114   4.1792   18.959   6.9348   27.054   5.2370   80.806   16.441   99.355   9.7545 -18.54926 19.11714 
1 1 1   18   12   44 o  115.396   7.2675   35.222   4.4012   42.642   7.3676   31.106   5.4881  124.334   10.966  106.458   9.5401 17.87625 14.53494 
1 1 1   18   12   45 o  153.381   6.0772   63.916   4.9250   66.936   7.9127   62.007   6.2925  156.113   9.3799  150.649   7.7298 5.464523 12.15449 
1 1 1   18   12   46 o  125.592   7.0064   44.457   4.5981   39.135   7.2348   48.063   5.9557  118.772   11.273  132.412   8.3238 -13.63985 14.01278 
1 1 1   18   12   47 o  298.293   7.3887  243.343   11.910   0.0000   0.0000  243.343   11.910  ?   ?   298.293   7.3887      ?      ? 
1 1 1   18   12   48 o  157.530   6.2902   69.830   5.2287   58.748   7.8626   78.617   7.0012  145.689   9.9873  169.372   7.6497 -23.68295 12.58036 
1 1 1   18   12   49 f   42.942   12.199   2.8919   4.2733   4.7858   6.7232   1.6082   5.5353   47.211   18.357   38.673   16.070 8.537373 24.39720 
1 1 1   18   12   50 o  177.019   8.6813   88.952   7.2742   89.583   8.4890   87.207   14.112  180.076   8.7240  173.962   15.012 6.114471 17.36263 
1 1 1   18   12   51 o  144.974   11.005   59.922   8.5257   54.685   11.100   67.455   13.313  137.775   14.910  152.174   16.191 -14.39886 22.01018 
1 1 1   18   12   52 o   85.286   16.232   24.419   7.6502   26.509   9.8612   21.259   12.124   91.326   20.487   79.245   25.183 12.08164 32.46344 
1 1 1   18   12   53 o  171.010   7.8795   79.851   6.5558   88.986   12.583   76.447   7.6806  175.997   13.231  166.023   8.5613 9.973160 15.75908 
1 1 1   18   12   54 o  162.168   8.2339   76.941   6.5753   71.081   11.752   79.611   7.9333  155.521   13.984  168.816   8.6967 -13.29442 16.46790 
1 1 1   18   12   55 o   33.732   11.592 -14.3249   6.2715  -5.1757   10.087 -20.0901   8.0072   40.946   19.009   26.518   13.271 14.42827 23.18309 
1 1 1   18   12   56 o  107.155   13.065   36.952   7.0844   32.297   11.188   40.068   9.1531   98.045   21.692  116.265   14.569 -18.21957 26.13087 
1 1 1   18   12   57 o   85.788   12.722   24.554   6.0200   12.811   8.1420   38.716   8.9413   59.833   20.691  111.742   14.808 -51.90875 25.44380 
1 1 1   18   12   58 o  154.280   7.3575   68.523   6.1144   68.260   8.9901   68.749   8.3406  153.610   10.831  154.950   9.9613 -1.339508 14.71500 
1 1 1   18   13    0 o  507.920   10.196  698.084   27.976  675.450   39.183  721.622   39.957  499.518   14.516  516.321   14.321 -16.80359 20.39172 
1 1 1   18   13    1 o  790.393   20.089  1694.14   85.799  1694.14   85.799   0.0000   0.0000  790.393   20.089  ?   ?       ?      ? 
1 1 1   18   13    2 o  778.783   13.765  1641.55   57.929   0.0000   0.0000  1641.55   57.929  ?   ?   778.783   13.765      ?      ? 
1 1 1   18   13    3 o  640.011   8.3011  1108.11   28.708  1099.11   40.489  1117.22   40.710  637.395   11.755  642.627   11.724 -5.232117 16.60213 
1 1 1   18   13    4 o  268.274   5.7308  194.611   8.3013  184.829   11.686  204.574   11.794  261.465   8.2713  275.083   7.9343 -13.61829 11.46156 
1 1 1   18   13    5 o  407.512   6.1844  448.654   13.613  435.555   18.927  462.692   19.593  401.356   8.7268  413.669   8.7653 -12.31314 12.36881 
1 1 1   18   13    6 o  486.005   6.8628  638.580   18.020  623.399   25.242  654.360   25.734  480.115   9.7293  491.895   9.6815 -11.78036 13.72554 
1 1 1   18   13    7 o  668.548   12.140  1209.48   43.856   0.0000   0.0000  1209.48   43.856  ?   ?   668.548   12.140      ?      ? 
1 1 1   18   13    8 o  655.685   8.4960  1161.74   30.076  1124.32   41.481  1203.20   43.670  644.580   11.909  666.791   12.120 -22.21075 16.99205 
1 1 1   18   13    9 o  899.789   11.147  2191.87   54.167  2140.34   75.087  2247.80   78.217  888.791   15.634  910.787   15.893 -21.99561 22.29366 
1 1 1   18   13   10 o  481.443   6.8501  626.830   17.819  615.613   25.006  638.403   25.398  477.067   9.7002  485.819   9.6749 -8.751801 13.70028 
1 1 1   18   13   11 o  178.006   9.2537   85.700   8.9010   0.0000   0.0000   85.700   8.9010  ?   ?   178.006   9.2537      ?      ? 
1 1 1   18   13   12 o  121.635   7.9046   40.154   5.1597   34.437   7.2410   46.052   7.3542  112.801   11.879  130.469   10.431 -17.66817 15.80921 
1 1 1   18   13   13 o  784.281   11.018  1707.54   42.461  1566.67   76.767  1769.64   50.967  759.907   18.695  808.654   11.664 -48.74683 22.03514 
1 1 1   18   13   14 f  306.899   6.6696  254.615   11.061   0.0000   0.0000  254.615   11.061  ?   ?   306.899   6.6696      ?      ? 
1 1 1   18   13   15 o  351.461   5.9539  333.895   11.307   0.0000   0.0000  333.895   11.307  ?   ?   351.461   5.9539      ?      ? 
1 1 1   18   13   16 o  439.463   6.5061  522.098   15.450   0.0000   0.0000  522.098   15.450  ?   ?   439.463   6.5061      ?      ? 
1 1 1   18   13   17 o  322.938   7.7964  282.006   13.605   0.0000   0.0000  282.006   13.605  ?   ?   322.938   7.7964      ?      ? 
1 1 1   18   13   18 o  835.473   12.026  1889.68   54.294   0.0000   0.0000  1889.68   54.294  ?   ?   835.473   12.026      ?      ? 
1 1 1   18   13   19 o  131.388   7.8529   46.684   5.5754   0.0000   0.0000   46.684   5.5754  ?   ?   131.388   7.8529      ?      ? 
1 1 1   18   13   20 o  282.654   5.8298  215.984   8.9042   0.0000   0.0000  215.984   8.9042  ?   ?   282.654   5.8298      ?      ? 
1 1 1   18   13   21 f  526.565   9.7578  750.435   27.764   0.0000   0.0000  750.435   27.764  ?   ?   526.565   9.7578      ?      ? 
1 1 1   18   13   22 o  239.980   5.6915  155.691   7.3806   0.0000   0.0000  155.691   7.3806  ?   ?   239.980   5.6915      ?      ? 
1 1 1   18   13   23 o  564.115   8.4987  861.086   25.906   0.0000   0.0000  861.086   25.906  ?   ?   564.115   8.4987      ?      ? 
1 1 1   18   13   24 o  363.493   5.9204  357.295   11.629   0.0000   0.0000  357.295   11.629  ?   ?   363.493   5.9204      ?      ? 
1 1 1   18   13   25 o  700.501   8.9504  1328.61   33.880   0.0000   0.0000  1328.61   33.880  ?   ?   700.501   8.9504      ?      ? 
1 1 1   18   13   26 o  393.084   6.6209  417.986   14.063   0.0000   0.0000  417.986   14.063  ?   ?   393.084   6.6209      ?      ? 
1 1 1   18   13   27 o  372.490   8.0284  375.611   16.160   0.0000   0.0000  375.611   16.160  ?   ?   372.490   8.0284      ?      ? 
1 1 1   18   13   28 o  215.800   6.4735  122.287   5.7038  132.230   13.988  120.304   6.2466  220.696   11.729  210.903   5.4812 9.792557 12.94695 
1 1 1   18   13   29 o  417.470   7.5511  483.176   16.175  438.964   26.875  508.288   20.254  401.850   12.376  433.091   8.6547 -31.24063 15.10220 
1 1 1   18   13   30 o  272.525   5.4202  202.400   7.9242  188.585   11.681  214.179   10.786  263.807   8.1942  281.243   7.0970 -17.43509 10.84031 
1 1 1   18   13   31 o  111.073   8.1239   34.035   4.5071   32.236   7.9834   34.877   5.4606  108.746   13.586  113.399   8.9113 -4.652611 16.24773 
1 1 1   18   13   32 o  182.757   5.8176   91.263   5.5576   87.818   9.0019   93.385   7.0647  179.857   9.2623  185.657   7.0420 -5.800171 11.63525 
1 1 1   18   13   33 o  205.686   5.4910  115.344   5.9563  111.908   9.4469  117.612   7.6737  203.040   8.6104  208.332   6.8165 -5.292282 10.98195 
1 1 1   18   13   34 o  256.600   6.8977  178.445   9.5642   0.0000   0.0000  178.445   9.5642  ?   ?   256.600   6.8977      ?      ? 
1 1 1   18   13   35 o  111.228   7.7261   34.140   4.2634   32.621   7.6593   34.822   5.1320  109.218   12.978  113.239   8.3869 -4.021240 15.45216 
1 1 1   18   13   36 o  100.570   8.0405   27.058   4.1383   29.383   7.2320   25.926   5.0460  103.558   12.924   97.582   9.5695 5.976357 16.08101 
1 1 1   18   13   37 o  142.771   6.3587   54.236   4.6872   59.690   8.0619   51.451   5.7609  147.933   10.085  137.609   7.7474 10.32318 12.71744 
1 1 1   18   13   38 o  127.372   6.8601   42.786   4.5098   49.126   7.8230   39.630   5.5192  134.064   10.799  120.680   8.4636 13.38367 13.72026 
1 1 1   18   13   39 o  124.451   7.0917   43.151   4.5223   39.510   7.5466   45.192   5.6489  120.037   11.634  128.864   8.1123 -8.827454 14.18342 
1 1 1   18   13   40 o  264.805   5.2770  191.174   7.5120  187.005   11.136  194.655   10.176  262.046   7.8647  267.563   7.0380 -5.516876 10.55399 
1 1 1   18   13   41 o  150.981   6.3211   62.868   4.9851   59.852   8.0586   64.737   6.3448  147.793   10.091  154.170   7.6161 -6.376892 12.64221 
1 1 1   18   13   42 o  101.306   8.6030   29.576   4.3417   24.872   7.4371   32.008   5.3475   94.449   14.572  108.164   9.1491 -13.71432 17.20603 
1 1 1   18   13   43 o  176.198   7.2885   84.650   6.9395   0.0000   0.0000   84.650   6.9395  ?   ?   176.198   7.2885      ?      ? 
1 1 1   18   13   44 o   97.767   8.7539   27.181   4.3727   24.498   7.2872   28.690   5.4661   93.419   14.436  102.115   9.9061 -8.696007 17.50775 
1 1 1   18   13   45 o   49.700   12.513   5.8357   4.0662   8.6408   6.9949   4.4041   4.9972   55.974   19.188   43.425   16.067 12.54883 25.02651 
1 1 1   18   13   46 o  212.304   5.5076  123.461   6.2540  123.192   9.5402  123.663   8.2817  211.897   8.3319  212.711   7.2051 -0.8143921 11.01519 
1 1 1   18   13   47 o  113.382   7.9331   36.351   4.6926   33.378   7.5100   38.255   6.0103  109.033   12.747  117.731   9.4475 -8.698769 15.86610 
1 1 1   18   13   48 o   34.342   10.959  -2.2779   4.2413  -2.9002   6.7199  -1.8658   5.4680   35.645   16.158   33.039   14.810 2.606483 21.91825 
1 1 1   18   13   49 o  166.696   9.3872   83.874   7.4295   91.086   8.8999   67.297   13.494  181.442   9.0774  151.951   16.434 29.49181 18.77434 
1 1 1   18   13   50 o   91.072   16.318   25.324   7.9086   19.736   9.9546   34.887   13.023   78.440   22.384  103.705   23.750 -25.26479 32.63555 
1 1 1   18   13   51 f  104.024   14.955   38.252   8.3693   54.032   10.991   16.473   12.912  136.458   14.905   71.589   25.931 64.86877 29.90943 
1 1 1   18   13   52 o   58.414   19.191   10.401   7.0050   0.0000   0.0000   10.401   7.0050  ?   ?    58.414   19.191      ?      ? 
1 1 1   18   13   53 o   41.276   13.069  -0.5660   5.7599  -4.2432   10.422   1.0511   6.9113   42.242   19.508   40.310   17.397 1.931187 26.13866 
1 1 1   18   13   54 o  122.758   12.304   49.806   7.0803   34.077   11.565   59.234   8.9543  101.412   21.757  144.105   11.499 -42.69337 24.60881 
1 1 1   18   13   55 o   62.717   13.843   12.161   5.7072   5.1430   8.1322   18.973   8.0115   48.861   19.797   76.574   19.353 -27.71313 27.68521 
1 1 1   18   13   56 o  100.474   11.153   33.632   5.4765   21.018   8.0672   44.413   7.4584   77.793   19.287  123.155   11.207 -45.36259 22.30657 
1 1 1   18   13   57 o  112.885   9.5057   39.192   5.5579   30.607   8.3969   45.886   7.4146   99.682   15.589  126.088   10.882 -26.40575 19.01147 
1 1 1   18   13   58 o   58.997   13.681   11.596   5.3187   18.577   8.0605   6.2121   7.0785   71.424   20.059   46.569   18.610 24.85563 27.36193 
1 1 1   18   14    0 o  172.993   12.115   79.340   11.198   96.869   17.323   66.757   14.676  189.054   16.957  156.932   17.307 32.12183 24.22919 
1 1 1   18   14    1 o  473.915   9.9356  607.690   25.431  581.081   35.478  635.811   36.471  463.244   14.173  484.587   13.928 -21.34299 19.87116 
1 1 1   18   14    2 o  566.663   10.995  869.817   33.652  873.649   48.348  866.216   46.868  567.853   15.756  565.473   15.338 2.379517 21.98921 
1 1 1   18   14    3 o  395.488   8.1607  404.472   15.277  462.387   30.970  385.846   17.563  413.235   13.869  377.741   8.6044 35.49350 16.32147 
1 1 1   18   14    4 o  521.485   7.2268  735.500   20.362  721.272   28.578  750.171   29.020  516.362   10.242  526.608   10.198 -10.24561 14.45365 
1 1 1   18   14    5 o  678.902   12.340  1247.56   45.271   0.0000   0.0000  1247.56   45.271  ?   ?   678.902   12.340      ?      ? 
1 1 1   18   14    6 o  452.982   6.6513  554.876   16.279  544.142   22.847  565.945   23.201  448.532   9.4265  457.432   9.3861 -8.900055 13.30252 
1 1 1   18   14    7 o  341.840   8.4380  315.995   15.587   0.0000   0.0000  315.995   15.587  ?   ?   341.840   8.4380      ?      ? 
1 1 1   18   14    8 o  175.465   9.4501   83.274   8.9602   0.0000   0.0000   83.274   8.9602  ?   ?   175.465   9.4501      ?      ? 
1 1 1   18   14    9 o  319.072   6.0396  264.609   10.208  218.296   13.005  338.917   16.473  284.125   8.4707  354.018   8.6112 -69.89389 12.07914 
1 1 1   18   14   12 o  688.748   8.8970  1280.71   33.049  1229.68   45.070  1340.07   48.607  673.970   12.375  703.525   12.786 -29.55499 17.79409 
1 1 1   18   14   13 o  541.840   8.2109  800.925   21.589  780.405   40.518  809.061   25.512  536.735   13.970  546.945   8.6321 -10.20947 16.42179 
1 1 1   18   14   14 o  459.272   6.7243  570.253   16.688   0.0000   0.0000  570.253   16.688  ?   ?   459.272   6.7243      ?      ? 
1 1 1   18   14   15 o  446.974   6.6532  540.115   16.069   0.0000   0.0000  540.115   16.069  ?   ?   446.974   6.6532      ?      ? 
1 1 1   18   14   16 o  487.596   6.9782  642.801   18.386   0.0000   0.0000  642.801   18.386  ?   ?   487.596   6.9782      ?      ? 
1 1 1   18   14   17 o  282.635   5.9688  215.950   9.1160   0.0000   0.0000  215.950   9.1160  ?   ?   282.635   5.9688      ?      ? 
1 1 1   18   14   18 o  171.444   6.9556   79.482   6.4439   0.0000   0.0000   79.482   6.4439  ?   ?   171.444   6.9556      ?      ? 
1 1 1   18   14   19 o  403.838   9.3777  441.334   20.464   0.0000   0.0000  441.334   20.464  ?   ?   403.838   9.3777      ?      ? 
1 1 1   18   14   20 o  720.505   13.137  1407.05   51.147   0.0000   0.0000  1407.05   51.147  ?   ?   720.505   13.137      ?      ? 
1 1 1   18   14   21 o  543.334   8.5779  798.815   25.185   0.0000   0.0000  798.815   25.185  ?   ?   543.334   8.5779      ?      ? 
1 1 1   18   14   23 o  290.063   5.7116  227.518   8.9523   0.0000   0.0000  227.518   8.9523  ?   ?   290.063   5.7116      ?      ? 
1 1 1   18   14   24 o   57.975   14.997   9.4791   4.7335   0.0000   0.0000   9.4791   4.7335  ?   ?    57.975   14.997      ?      ? 
1 1 1   18   14   25 o  515.052   7.9515  718.073   22.130   0.0000   0.0000  718.073   22.130  ?   ?   515.052   7.9515      ?      ? 
1 1 1   18   14   26 o  489.891   9.5018  650.347   25.153   0.0000   0.0000  650.347   25.153  ?   ?   489.891   9.5018      ?      ? 
1 1 1   18   14   27 o  174.400   5.8236   82.282   5.4881   0.0000   0.0000   82.282   5.4881  ?   ?   174.400   5.8236      ?      ? 
1 1 1   18   14   28 o  300.440   6.8928  225.223   9.7212  285.360   20.373  207.495   11.062  324.071   11.634  276.808   7.3952 47.26352 13.78557 
1 1 1   18   14   29 o  523.241   8.2619  743.221   19.797  746.396   40.866  742.248   22.629  523.109   14.457  523.373   8.0014 -0.2642212 16.52374 
1 1 1   18   14   30 o  506.550   9.6647  696.560   26.454   0.0000   0.0000  696.560   26.454  ?   ?   506.550   9.6647      ?      ? 
1 1 1   18   14   31 o  459.536   9.0455  573.325   22.462   0.0000   0.0000  573.325   22.462  ?   ?   459.536   9.0455      ?      ? 
1 1 1   18   14   32 o   52.658   12.718   5.7519   4.2058   11.142   7.4905   3.2703   5.0827   63.506   19.740   41.811   16.040 21.69490 25.43566 
1 1 1   18   14   33 o  249.938   5.5010  170.896   7.3375  158.909   11.056  180.331   9.8091  241.948   8.4565  257.927   7.0379 -15.97932 11.00200 
1 1 1   18   14   34 o  153.788   7.4723   64.168   6.2096   0.0000   0.0000   64.168   6.2096  ?   ?   153.788   7.4723      ?      ? 
1 1 1   18   14   35 o  182.470   7.0555   90.348   6.9568   0.0000   0.0000   90.348   6.9568  ?   ?   182.470   7.0555      ?      ? 
1 1 1   18   14   36 o  160.161   6.3541   70.937   5.2267   66.152   8.7305   73.610   6.5252  155.681   10.378  164.640   7.3345 -8.959244 12.70822 
1 1 1   18   14   37 o   99.365   8.3809   25.764   4.2191   30.783   7.6624   23.581   5.0543  105.784   13.405   92.947   10.063 12.83674 16.76180 
1 1 1   18   14   38 f  104.077   9.4151   29.558   5.2950   0.0000   0.0000   29.558   5.2950  ?   ?   104.077   9.4151      ?      ? 
1 1 1   18   14   39 o  195.484   7.0696  103.920   7.4678   0.0000   0.0000  103.920   7.4678  ?   ?   195.484   7.0696      ?      ? 
1 1 1   18   14   40 o  120.983   8.2981   44.961   4.8036   27.222   7.8056   55.775   6.0942   98.910   14.604  143.057   7.8835 -44.14690 16.59629 
1 1 1   18   14   41 o  212.049   5.5630  123.008   6.2460  120.660   9.8182  124.605   8.0954  210.139   8.6465  213.960   7.0019 -3.821106 11.12600 
1 1 1   18   14   42 o  166.695   7.6083   75.831   6.8532   0.0000   0.0000   75.831   6.8532  ?   ?   166.695   7.6083      ?      ? 
1 1 1   18   14   43 o  172.735   6.0845   82.640   5.5274   77.482   8.7384   86.081   7.1365  167.892   9.6319  177.577   7.4372 -9.684631 12.16904 
1 1 1   18   14   44 o  167.344   6.1855   76.951   5.4430   76.490   8.7505   77.241   6.9515  166.628   9.7184  168.060   7.6547 -1.431915 12.37104 
1 1 1   18   14   45 o  137.466   7.0067   52.906   4.9932   49.394   8.1604   55.008   6.3130  133.316   11.328  141.617   8.2496 -8.300354 14.01333 
1 1 1   18   14   46 o   38.698   11.732   0.5836   4.2279  -0.1704   7.2019   0.9800   5.2226   40.591   17.638   36.804   15.474 3.786606 23.46396 
1 1 1   18   14   47 o  110.038   8.6450   34.245   5.0477   32.607   7.7982   35.425   6.6221  107.319   13.447  112.758   10.868 -5.438416 17.29007 
1 1 1   18   14   48 o   51.548   15.206   3.7389   6.4692   2.8145   7.6578   6.0428   12.089   45.602   18.922   57.495   23.809 -11.89301 30.41202 
1 1 1   18   14   49 o   39.625   19.442 -23.4009   14.249   0.0000   0.0000 -23.4009   14.249  ?   ?    39.625   19.442      ?      ? 
1 1 1   18   14   51 f   31.444   14.853  -6.3176   6.6256   0.0000   0.0000  -6.3176   6.6256  ?   ?    31.444   14.853      ?      ? 
1 1 1   18   14   52 o   73.831   13.348   17.544   5.3318   17.265   7.9503   17.773   7.1879   72.805   19.721   74.858   17.992 -2.052864 26.69518 
1 1 1   18   14   53 o   81.318   11.946   19.539   5.1565   27.875   8.1039   13.868   6.6842   96.713   15.507   65.923   18.177 30.79003 23.89264 
1 1 1   18   14   54 o   57.584   13.557   9.0676   5.2403   16.177   8.0224   3.7765   6.9209   70.459   20.090   44.709   18.209 25.75024 27.11388 
1 1 1   18   14   55 o   57.787   12.976   9.2004   5.1821   19.928   8.0315   1.5492   6.7829   75.992   19.471   39.582   17.159 36.40969 25.95242 
1 1 1   18   14   56 o   55.062   13.855   9.4099   5.2299   13.178   7.9589   6.5467   6.9380   61.817   20.463   48.306   18.685 13.51121 27.71010 
1 1 1   18   14   57 o   47.530   11.433   1.9308   5.2424 -16.9580   8.0258   15.988   6.9236   27.195   13.560   67.865   18.412 -40.66994 22.86647 
1 1 1   18   15    0 o  433.650   6.6352  508.588   15.543  510.036   22.294  507.218   21.681  434.245   9.5007  433.055   9.2650 1.190033 13.27037 
1 1 1   18   15    1 o  951.568   11.751  2454.41   60.422  2434.93   84.994  2474.31   85.914  947.755   16.596  955.381   16.642 -7.625854 23.50266 
1 1 1   18   15    2 o  248.874   13.753  167.725   18.495   0.0000   0.0000  167.725   18.495  ?   ?   248.874   13.753      ?      ? 
1 1 1   18   15    3 o  379.483   9.5852  388.513   19.582  405.631   29.215  374.549   26.387  387.020   13.969  371.947   13.129 15.07275 19.17042 
1 1 1   18   15    4 o  253.560   11.018  176.007   14.861  140.450   21.015  211.577   21.019  227.605   17.087  279.516   13.916 -51.91092 22.03659 
1 1 1   18   15    5 o  612.813   11.914  1017.21   39.437  984.685   54.846  1052.03   56.747  602.680   16.841  622.946   16.858 -20.26563 23.82884 
1 1 1   18   15    6 o  441.388   8.8099  531.326   19.109  517.793   35.119  537.018   22.775  437.191   14.866  445.586   9.4588 -8.394775 17.61989 
1 1 1   18   15   10 o  177.798   10.615   85.543   10.199   0.0000   0.0000   85.543   10.199  ?   ?   177.798   10.615      ?      ? 
1 1 1   18   15   11 o  162.433   7.6279   71.413   6.6858   66.506   9.3854   76.469   9.5263  156.759   11.080  168.107   10.487 -11.34789 15.25579 
1 1 1   18   15   12 o  525.907   10.144  748.321   28.828   0.0000   0.0000  748.321   28.828  ?   ?   525.907   10.144      ?      ? 
1 1 1   18   15   13 o  481.872   7.5893  642.010   18.196  592.793   32.252  664.991   22.039  467.869   12.757  495.874   8.2249 -28.00525 15.17856 
1 1 1   18   15   14 o  729.703   13.029  1442.37   51.375   0.0000   0.0000  1442.37   51.375  ?   ?   729.703   13.029      ?      ? 
1 1 1   18   15   15 o  780.011   9.8347  1646.55   41.452   0.0000   0.0000  1646.55   41.452  ?   ?   780.011   9.8347      ?      ? 
1 1 1   18   15   16 o  439.092   9.8834  521.839   23.450   0.0000   0.0000  521.839   23.450  ?   ?   439.092   9.8834      ?      ? 
1 1 1   18   15   17 o  812.869   10.203  1788.61   44.817   0.0000   0.0000  1788.61   44.817  ?   ?   812.869   10.203      ?      ? 
1 1 1   18   15   18 o  537.542   7.4177  781.510   21.546   0.0000   0.0000  781.510   21.546  ?   ?   537.542   7.4177      ?      ? 
1 1 1   18   15   19 o  690.981   8.9132  1292.20   33.280   0.0000   0.0000  1292.20   33.280  ?   ?   690.981   8.9132      ?      ? 
1 1 1   18   15   20 o  593.622   7.9853  953.588   25.615   0.0000   0.0000  953.588   25.615  ?   ?   593.622   7.9853      ?      ? 
1 1 1   18   15   21 o   65.020   15.430   11.954   5.3398   0.0000   0.0000   11.954   5.3398  ?   ?    65.020   15.430      ?      ? 
1 1 1   18   15   22 o  114.544   10.269   35.551   6.3559   0.0000   0.0000   35.551   6.3559  ?   ?   114.544   10.269      ?      ? 
1 1 1   18   15   23 f  311.797   6.4047  262.980   10.791   0.0000   0.0000  262.980   10.791  ?   ?   311.797   6.4047      ?      ? 
1 1 1   18   15   24 o  185.603   6.3768   93.196   6.3955   0.0000   0.0000   93.196   6.3955  ?   ?   185.603   6.3768      ?      ? 
1 1 1   18   15   25 o  503.802   7.8687  687.330   21.421   0.0000   0.0000  687.330   21.421  ?   ?   503.802   7.8687      ?      ? 
1 1 1   18   15   26 o  290.033   6.0671  227.618   9.5086   0.0000   0.0000  227.618   9.5086  ?   ?   290.033   6.0671      ?      ? 
1 1 1   18   15   27 o  470.939   6.8260  600.458   17.371   0.0000   0.0000  600.458   17.371  ?   ?   470.939   6.8260      ?      ? 
1 1 1   18   15   28 o  235.021   6.4507  143.224   6.4543  160.766   15.128  139.320   7.1364  243.150   11.514  226.893   5.8206 16.25690 12.90131 
1 1 1   18   15   29 o   56.756   14.218   7.6785   4.9021   7.0496   10.153   7.8697   5.5978   59.563   22.714   53.949   17.108 5.613770 28.43586 
1 1 1   18   15   30 o  174.070   8.1288   87.674   6.6623   71.757   12.466   94.039   7.8826  161.937   14.246  186.204   7.8342 -24.26654 16.25768 
1 1 1   18   15   31 o  152.788   7.1272   65.575   5.6156   55.554   9.0180   71.922   7.1769  142.768   11.689  162.808   8.1578 -20.03979 14.25450 
1 1 1   18   15   32 o  406.961   8.4909  449.707   18.672   0.0000   0.0000  449.707   18.672  ?   ?   406.961   8.4909      ?      ? 
1 1 1   18   15   33 o  219.528   7.3965  130.776   8.7741   0.0000   0.0000  130.776   8.7741  ?   ?   219.528   7.3965      ?      ? 
1 1 1   18   15   34 o  139.837   6.9337   52.687   5.0229   55.406   8.4919   51.224   6.2295  142.419   11.034  137.255   8.3991 5.164505 13.86736 
1 1 1   18   15   35 o  233.343   5.6652  149.610   7.0169  138.558   10.760  157.790   9.2561  225.610   8.8257  241.076   7.1054 -15.46577 11.33044 
1 1 1   18   15   36 o  274.024   7.2052  203.967   10.669   0.0000   0.0000  203.967   10.669  ?   ?   274.024   7.2052      ?      ? 
1 1 1   18   15   37 o  223.453   5.6554  135.934   6.6952  135.805   10.557  136.021   8.6594  223.200   8.7532  223.705   7.1634 -0.5050812 11.31076 
1 1 1   18   15   38 o  194.970   7.1917  103.413   7.5769   0.0000   0.0000  103.413   7.5769  ?   ?   194.970   7.1917      ?      ? 
1 1 1   18   15   39 o  116.040   12.988   37.252   8.1440   37.252   8.1440   0.0000   0.0000  116.040   12.988  ?   ?       ?      ? 
1 1 1   18   15   40 o  121.185   9.9114   40.280   6.4904   0.0000   0.0000   40.280   6.4904  ?   ?   121.185   9.9114      ?      ? 
1 1 1   18   15   41 o  126.286   7.4860   42.945   4.8914   47.393   8.3713   40.639   6.0273  130.829   11.841  121.743   9.1621 9.086365 14.97202 
1 1 1   18   15   42 o  198.712   7.2881  107.754   7.8257   0.0000   0.0000  107.754   7.8257  ?   ?   198.712   7.2881      ?      ? 
1 1 1   18   15   43 f  125.504   7.6601   43.509   4.9860   43.966   8.3180   43.254   6.2291  125.592   12.257  125.415   9.1915 0.1769028 15.32016 
1 1 1   18   15   44 o  197.515   5.8797  106.337   6.1669  110.740   9.7454  103.396   7.9643  200.650   8.9882  194.380   7.5824 6.270142 11.75930 
1 1 1   18   15   45 o   78.359   11.822   18.420   4.7560   16.522   7.9303   19.485   5.9435   73.532   19.602   83.187   13.222 -9.654373 23.64413 
1 1 1   18   15   46 o  352.663   12.723  350.450   24.245  350.450   24.245   0.0000   0.0000  352.663   12.723  ?   ?       ?      ? 
1 1 1   18   15   50 o  146.326   9.5406   59.701   7.5437   0.0000   0.0000   59.701   7.5437  ?   ?   146.326   9.5406      ?      ? 
1 1 1   18   15   51 o  114.996   8.8416   38.115   5.3855   37.668   8.4437   38.421   6.9924  113.697   13.744  116.295   11.127 -2.597908 17.68315 
1 1 1   18   15   52 o   64.276   13.690   13.001   5.0704   15.592   8.0456   11.294   6.5305   68.861   20.264   59.692   18.412 9.168621 27.37946 
1 1 1   18   15   53 o  200.243   6.4379  111.342   6.9327  118.521   10.434  105.669   9.2762  205.784   9.3834  194.702   8.8168 11.08154 12.87575 
1 1 1   18   15   54 f   87.057   12.177   23.497   5.5795   33.432   8.6932   16.537   7.2758  104.179   15.442   69.936   18.833 34.24326 24.35463 
1 1 1   18   15   55 f   52.302   12.071   1.5254   5.3266   20.451   8.3797 -11.3067   6.9000   76.957   19.976   27.647   13.558 49.30958 24.14231 
1 1 1   18   15   56 o   56.259   14.066   11.055   5.4323   8.6781   8.3536   12.796   7.1508   52.170   20.413   60.348   19.357 -8.178223 28.13132 
1 1 1   18   16    0 o  446.040   6.8183  538.234   16.430  535.890   23.451  540.495   23.027  445.080   9.7506  447.000   9.5332 -1.920502 13.63657 
1 1 1   18   16    1 o  632.571   8.4328  1082.67   28.812  1098.60   41.486  1067.83   40.045  637.051   12.051  628.091   11.799 8.960815 16.86561 
1 1 1   18   16    2 o  838.729   10.533  1906.21   47.736  1913.30   67.942  1899.30   67.083  840.258   14.964  837.201   14.828 3.057068 21.06641 
1 1 1   18   16    5 o  241.876   15.687  158.604   20.504   0.0000   0.0000  158.604   20.504  ?   ?   241.876   15.687      ?      ? 
1 1 1   18   16    6 o  673.869   12.843  1231.52   46.748  1194.14   65.067  1271.40   67.208  663.311   18.153  684.427   18.172 -21.11615 25.68601 
1 1 1   18   16    7 o  629.333   12.414  1003.87   40.313  1321.17   71.110  853.604   48.936  697.584   18.865  561.083   16.141 136.5012 24.82724 
1 1 1   18   16    8 o  351.507   10.627  334.129   20.092  342.342   30.035  327.477   27.031  355.362   15.641  347.651   14.389 7.710999 21.25306 
1 1 1   18   16    9 o  366.279   9.2167  386.250   16.327  309.459   29.111  421.491   19.721  337.826   15.947  394.732   9.2457 -56.90634 18.43343 
1 1 1   18   16   10 o  419.484   9.4530  476.067   21.428   0.0000   0.0000  476.067   21.428  ?   ?   419.484   9.4530      ?      ? 
1 1 1   18   16   11 o  367.348   6.3100  364.427   12.514  347.837   17.280  382.725   18.148  358.572   8.9183  376.124   8.9290 -17.55206 12.61999 
1 1 1   18   16   12 o  513.137   8.5434  704.336   22.240  738.964   39.284  688.003   26.979  522.087   13.925  504.187   9.9027 17.89990 17.08674 
1 1 1   18   16   13 o  512.028   8.3782  709.250   23.181   0.0000   0.0000  709.250   23.181  ?   ?   512.028   8.3782      ?      ? 
1 1 1   18   16   14 o  715.745   13.220  1388.49   51.129   0.0000   0.0000  1388.49   51.129  ?   ?   715.745   13.220      ?      ? 
1 1 1   18   16   15 o  452.966   10.156  555.426   24.857   0.0000   0.0000  555.426   24.857  ?   ?   452.966   10.156      ?      ? 
1 1 1   18   16   16 o  971.631   17.062  2565.94   89.582   0.0000   0.0000  2565.94   89.582  ?   ?   971.631   17.062      ?      ? 
1 1 1   18   16   17 o  537.618   10.911  783.107   31.699   0.0000   0.0000  783.107   31.699  ?   ?   537.618   10.911      ?      ? 
1 1 1   18   16   18 f  405.653   9.6356  445.660   21.121   0.0000   0.0000  445.660   21.121  ?   ?   405.653   9.6356      ?      ? 
1 1 1   18   16   19 f  251.152   7.8016  170.701   10.588   0.0000   0.0000  170.701   10.588  ?   ?   251.152   7.8016      ?      ? 
1 1 1   18   16   20 o  306.379   9.6091  254.268   15.908   0.0000   0.0000  254.268   15.908  ?   ?   306.379   9.6091      ?      ? 
1 1 1   18   16   21 o  355.968   6.7677  342.823   13.018   0.0000   0.0000  342.823   13.018  ?   ?   355.968   6.7677      ?      ? 
1 1 1   18   16   22 o  635.866   9.5200  1095.66   32.711   0.0000   0.0000  1095.66   32.711  ?   ?   635.866   9.5200      ?      ? 
1 1 1   18   16   23 o  586.961   10.765  934.829   34.145   0.0000   0.0000  934.829   34.145  ?   ?   586.961   10.765      ?      ? 
1 1 1   18   16   24 o  493.004   9.6493  659.183   25.706   0.0000   0.0000  659.183   25.706  ?   ?   493.004   9.6493      ?      ? 
1 1 1   18   16   25 o  340.046   7.4974  313.187   13.776   0.0000   0.0000  313.187   13.776  ?   ?   340.046   7.4974      ?      ? 
1 1 1   18   16   26 o   82.488   10.674   18.484   4.7579   0.0000   0.0000   18.484   4.7579  ?   ?    82.488   10.674      ?      ? 
1 1 1   18   16   27 o  220.652   6.1238  131.809   7.3015   0.0000   0.0000  131.809   7.3015  ?   ?   220.652   6.1238      ?      ? 
1 1 1   18   16   28 o  102.781   8.8326   28.678   4.9056   0.0000   0.0000   28.678   4.9056  ?   ?   102.781   8.8326      ?      ? 
1 1 1   18   16   29 o  349.583   6.8088  325.461   10.536  343.919   23.098  320.612   11.839  355.135   12.037  344.031   6.3686 11.10355 13.61751 
1 1 1   18   16   30 o   78.425   12.769   16.906   4.1281   17.426   10.550   16.812   4.4857   78.258   23.251   78.592   10.562 -0.3336945 25.53732 
1 1 1   18   16   31 o   81.348   11.861   19.063   5.0106   16.475   7.9347   20.780   6.4620   75.611   19.342   87.085   13.732 -11.47421 23.72108 
1 1 1   18   16   32 o  171.220   8.3158   79.678   7.6939   0.0000   0.0000   79.678   7.6939  ?   ?   171.220   8.3158      ?      ? 
1 1 1   18   16   33 o  193.624   7.8103  101.873   8.1717   0.0000   0.0000  101.873   8.1717  ?   ?   193.624   7.8103      ?      ? 
1 1 1   18   16   34 o  123.242   8.2322   43.347   5.1390   35.949   8.5014   47.606   6.4511  114.278   13.767  132.206   9.0302 -17.92752 16.46438 
1 1 1   18   16   35 o   84.972   11.396   20.975   4.7687   18.832   8.3058   22.029   5.8244   80.344   19.360   89.600   12.030 -9.256096 22.79277 
1 1 1   18   16   36 o   83.143   11.451   19.636   4.6508   19.631   8.4320   19.638   5.5756   81.809   19.373   84.477   12.214 -2.667557 22.90214 
1 1 1   18   16   37 f  205.211   7.3008  114.605   8.0958   0.0000   0.0000  114.605   8.0958  ?   ?   205.211   7.3008      ?      ? 
1 1 1   18   16   38 o  130.298   9.2825   46.444   6.5357   0.0000   0.0000   46.444   6.5357  ?   ?   130.298   9.2825      ?      ? 
1 1 1   18   16   39 o  146.739   6.9130   58.399   5.2927   61.613   8.8027   56.579   6.6236  149.600   10.889  143.878   8.5194 5.722076 13.82594 
1 1 1   18   16   40 o   97.533   10.790   26.244   5.6866   0.0000   0.0000   26.244   5.6866  ?   ?    97.533   10.790      ?      ? 
1 1 1   18   16   41 o  134.401   7.6768   52.210   5.1823   42.870   8.6714   57.400   6.4636  123.990   12.942  144.812   8.2600 -20.82237 15.35357 
1 1 1   18   16   42 o  110.856   12.818   32.695   5.4250   41.306   14.163   31.214   5.8729  115.417   23.508  106.295   10.225 9.122032 25.63531 
1 1 1   18   16   43 o  162.751   17.130   76.284   15.065   76.284   15.065   0.0000   0.0000  162.751   17.130  ?   ?       ?      ? 
1 1 1   18   16   44 o   42.375   20.169 -12.8851   12.671 -12.8851   12.671   0.0000   0.0000   42.375   20.169  ?   ?       ?      ? 
1 1 1   18   16   46 o  113.566   18.802   38.446   11.538   38.446   11.538   0.0000   0.0000  113.566   18.802  ?   ?       ?      ? 
1 1 1   18   16   47 o   54.568   15.854   4.6958   7.9674   10.300   9.8123  -6.1486   13.650   60.768   22.508   48.368   22.333 12.40017 31.70790 
1 1 1   18   16   48 o   62.755   12.599   12.967   5.6482  -4.0090   10.229   20.412   6.7745   42.983   19.658   82.528   15.766 -39.54563 25.19900 
1 1 1   18   16   49 o   72.932   12.855   17.281   5.1190   12.482   8.0865   20.490   6.6125   63.185   20.612   82.680   15.366 -19.49508 25.70955 
1 1 1   18   16   50 o   85.043   12.248   24.662   5.3186   14.571   8.6964   30.692   6.7225   66.576   21.346  103.509   12.019 -36.93368 24.49689 
1 1 1   18   16   51 o  151.286   7.6254   65.392   6.1060   62.450   9.5059   67.458   7.9669  147.565   11.921  155.008   9.5115 -7.442947 15.25077 
1 1 1   18   16   52 o  185.882   8.9622   96.407   9.0021   0.0000   0.0000   96.407   9.0021  ?   ?   185.882   8.9622      ?      ? 
1 1 1   18   16   53 o   30.781   10.570 -10.4319   5.3759  -6.9714   8.2739 -12.9601   7.0722   34.389   16.348   27.172   13.403 7.217358 21.13945 
1 1 1   18   16   54 o  117.221   9.5999   41.625   5.9960   37.516   8.9011   45.038   8.1128  110.694   14.881  123.748   12.132 -13.05458 19.19988 
1 1 1   18   16   55 o   73.659   13.944   19.255   5.6365   18.250   8.8203   19.949   7.3279   70.400   21.338   76.918   17.957 -6.518532 27.88799 
1 1 1   18   17    0 f  829.009   14.807  1862.55   66.331   0.0000   0.0000  1862.55   66.331  ?   ?   829.009   14.807      ?      ? 
1 1 1   18   17    1 o  423.099   9.5444  484.285   21.821   0.0000   0.0000  484.285   21.821  ?   ?   423.099   9.5444      ?      ? 
1 1 1   18   17    2 o   56.721   15.761   4.9406   7.0605   6.0858   10.358   3.9469   9.6494   59.063   22.835   54.379   21.729 4.683575 31.52111 
1 1 1   18   17    3 o  173.902   8.2040   82.028   7.6714   72.063   10.768   92.298   10.932  163.138   12.215  184.666   10.955 -21.52780 16.40804 
1 1 1   18   17    4 o  190.508   7.8680   97.838   8.0829  105.510   11.885   91.234   11.026  197.428   11.140  183.588   11.114 13.84010 15.73594 
1 1 1   18   17    6 o  679.699   8.9378  1251.28   32.824  1232.70   46.003  1270.55   46.848  674.563   12.620  684.835   12.660 -10.27216 17.87566 
1 1 1   18   17    7 o  218.427   6.9994  129.083   8.2598  131.265   11.826  127.005   11.541  220.227   9.9377  216.627   9.8594 3.600250 13.99876 
1 1 1   18   17    9 o  525.963   11.460  751.219   32.553  743.919   46.717  758.108   45.385  523.431   16.517  528.496   15.892 -5.065063 22.92085 
1 1 1   18   17   10 o  165.038   17.686   76.536   15.099   68.423   22.860   82.815   20.111  155.716   28.206  174.360   21.345 -18.64421 35.37209 
1 1 1   18   17   11 o  427.385   10.725  495.539   24.750  497.297   35.744  493.919   34.304  428.079   15.452  426.691   14.878 1.388275 21.45053 
1 1 1   18   17   14 o  279.685   8.0808  211.681   12.213   0.0000   0.0000  211.681   12.213  ?   ?   279.685   8.0808      ?      ? 
1 1 1   18   17   15 o  405.378   7.6061  444.658   16.661   0.0000   0.0000  444.658   16.661  ?   ?   405.378   7.6061      ?      ? 
1 1 1   18   17   16 o  562.566   11.312  857.986   34.386   0.0000   0.0000  857.986   34.386  ?   ?   562.566   11.312      ?      ? 
1 1 1   18   17   17 o  338.113   6.3784  309.221   11.654   0.0000   0.0000  309.221   11.654  ?   ?   338.113   6.3784      ?      ? 
1 1 1   18   17   18 o  245.410   10.704  163.260   14.195   0.0000   0.0000  163.260   14.195  ?   ?   245.410   10.704      ?      ? 
1 1 1   18   17   19 f  165.195   7.7736   73.870   6.9392   0.0000   0.0000   73.870   6.9392  ?   ?   165.195   7.7736      ?      ? 
1 1 1   18   17   20 o  441.841   9.0647  528.956   21.643   0.0000   0.0000  528.956   21.643  ?   ?   441.841   9.0647      ?      ? 
1 1 1   18   17   21 o  622.472   9.3904  1050.42   31.586   0.0000   0.0000  1050.42   31.586  ?   ?   622.472   9.3904      ?      ? 
1 1 1   18   17   22 o  150.748   7.9487   61.560   6.4749   0.0000   0.0000   61.560   6.4749  ?   ?   150.748   7.9487      ?      ? 
1 1 1   18   17   23 o  243.316   6.9886  160.303   9.1886   0.0000   0.0000  160.303   9.1886  ?   ?   243.316   6.9886      ?      ? 
1 1 1   18   17   24 o  108.939   10.799   32.245   6.3570   0.0000   0.0000   32.245   6.3570  ?   ?   108.939   10.799      ?      ? 
1 1 1   18   17   25 o  208.679   6.5369  117.926   7.3712   0.0000   0.0000  117.926   7.3712  ?   ?   208.679   6.5369      ?      ? 
1 1 1   18   17   26 o  162.087   8.1257   71.269   7.1170   0.0000   0.0000   71.269   7.1170  ?   ?   162.087   8.1257      ?      ? 
1 1 1   18   17   27 o  129.363   7.7258   45.388   5.4006   0.0000   0.0000   45.388   5.4006  ?   ?   129.363   7.7258      ?      ? 
1 1 1   18   17   28 o  179.434   6.4777   87.228   6.2808   0.0000   0.0000   87.228   6.2808  ?   ?   179.434   6.4777      ?      ? 
1 1 1   18   17   29 o  188.572   7.2220  104.845   5.8041   83.739   12.417  110.745   6.5655  174.953   13.135  202.191   6.0092 -27.23813 14.44399 
1 1 1   18   17   30 o  216.814   6.9046  128.148   6.5602  127.770   14.366  128.248   7.3739  216.113   12.302  217.515   6.2736 -1.401947 13.80925 
1 1 1   18   17   31 o  168.321   7.9792   75.973   6.7588   81.486   12.173   73.515   8.1264  172.319   13.073  164.322   9.1520 7.996597 15.95832 
1 1 1   18   17   32 o  184.446   10.154   92.838   10.120   92.838   10.120   0.0000   0.0000  184.446   10.154  ?   ?       ?      ? 
1 1 1   18   17   33 o  121.503   9.0410   43.251   5.5409   29.435   8.5228   53.366   7.2922  103.136   15.293  139.869   9.6483 -36.73328 18.08198 
1 1 1   18   17   34 o  141.028   7.8533   54.998   5.7649   52.575   9.4063   56.456   7.2957  138.235   12.592  143.822   9.3875 -5.586777 15.70660 
1 1 1   18   17   35 o  144.300   7.5458   56.769   5.6726   58.358   9.4129   55.863   7.1085  145.603   11.964  142.998   9.1994 2.604568 15.09169 
1 1 1   18   17   36 o  147.246   8.7743   59.211   6.9815   0.0000   0.0000   59.211   6.9815  ?   ?   147.246   8.7743      ?      ? 
1 1 1   18   17   37 o  129.973   8.0679   46.368   5.3564   47.044   9.2427   46.026   6.5726  130.281   13.129  129.666   9.3804 0.6148834 16.13581 
1 1 1   18   17   38 o  103.138   10.495   31.659   5.1504   26.276   8.9785   34.299   6.2878   94.625   18.221  111.651   10.422 -17.02573 20.99065 
1 1 1   18   17   39 o  183.852   9.2038   92.503   7.9108   97.635   15.969   90.833   9.1067  185.791   15.906  181.914   9.2642 3.876221 18.40754 
1 1 1   18   17   40 o   57.524   24.698   2.3086   13.790   2.3086   13.790   0.0000   0.0000   57.524   24.698  ?   ?       ?      ? 
1 1 1   18   17   41 o  145.870   19.259   62.185   15.181   62.185   15.181   0.0000   0.0000  145.870   19.259  ?   ?       ?      ? 
1 1 1   18   17   43 o  122.767   17.434   43.829   11.565   43.829   11.565   0.0000   0.0000  122.767   17.434  ?   ?       ?      ? 
1 1 1   18   17   44 o  176.031   10.623   88.507   9.9233   86.937   12.843   90.833   15.632  175.036   13.578  177.027   16.341 -1.990891 21.24641 
1 1 1   18   17   45 o  116.043   10.373   39.953   5.7458   35.676   10.676   41.697   6.8172  109.768   18.000  122.318   10.314 -12.55078 20.74524 
1 1 1   18   17   46 o   37.603   11.976  -2.1347   5.0324  -4.9325   8.3998  -0.5683   6.2852   37.999   17.537   37.207   16.316 0.7923126 23.95258 
1 1 1   18   17   47 o  194.486   6.6431  105.221   6.8559  105.187   10.746  105.244   8.9033  193.924   10.255  195.047   8.4474 -1.123260 13.28615 
1 1 1   18   17   48 o  216.598   8.2046  129.769   9.6029   0.0000   0.0000  129.769   9.6029  ?   ?   216.598   8.2046      ?      ? 
1 1 1   18   17   49 o  301.097   8.0792  251.776   13.145   0.0000   0.0000  251.776   13.145  ?   ?   301.097   8.0792      ?      ? 
1 1 1   18   17   50 o   88.351   12.506   24.186   5.6536   25.995   9.0432   23.025   7.2437   90.047   19.173   86.656   16.061 3.391624 25.01101 
1 1 1   18   17   52 o   60.415   13.158   11.926   5.7393   0.6536   8.7745   20.355   7.5875   42.554   18.940   78.277   18.271 -35.72359 26.31618 
1 1 1   18   17   53 o  138.614   8.5733   54.050   6.2623   74.219   10.005   41.056   8.0301  159.436   11.612  117.792   12.616 41.64362 17.14658 
1 1 1   18   17   54 o   59.241   14.420   11.940   5.5919   16.056   8.6485   8.9837   7.3303   66.069   21.298   52.414   19.446 13.65479 28.84015 
1 1 1   18   18    0 o  539.976   7.6998  789.533   22.465  783.615   31.882  795.369   31.661  537.958   10.968  541.994   10.810 -4.036438 15.39969 
1 1 1   18   18    1 o   48.623   21.040  -1.3384   10.161  -1.3384   10.161   0.0000   0.0000   48.623   21.040  ?   ?       ?      ? 
1 1 1   18   18    2 o  234.340   7.2505  147.031   9.1281  164.728   13.840  133.405   12.144  246.679   10.383  222.001   10.123 24.67775 14.50098 
1 1 1   18   18    3 o  661.045   8.7819  1183.32   31.350  1200.52   45.268  1167.47   43.458  665.634   12.585  656.457   12.251 9.177002 17.56376 
1 1 1   18   18    5 o  146.772   9.7716   58.401   7.7113   66.423   11.095   50.904   10.726  156.547   13.115  136.996   14.489 19.55084 19.54313 
1 1 1   18   18    8 o  379.213   6.6821  388.328   13.671  405.413   20.036  373.448   18.699  386.988   9.5815  371.438   9.3165 15.54935 13.36425 
1 1 1   18   18    9 o   82.876   13.244   18.428   6.2745   7.8408   8.4720   31.291   9.3382   58.454   21.028  107.299   16.106 -48.84491 26.48718 
1 1 1   18   18   10 o  426.310   6.8912  492.263   15.872  486.172   22.573  498.221   22.322  423.689   9.8594  428.931   9.6305 -5.241547 13.78240 
1 1 1   18   18   11 o  612.711   9.7905  1014.91   30.523  1032.43   53.195  1006.30   37.269  616.138   15.977  609.283   11.320 6.855103 19.58107 
1 1 1   18   18   12 o  485.532   8.2756  630.208   20.359  665.090   36.091  613.927   24.657  494.958   13.494  476.105   9.5839 18.85342 16.55115 
1 1 1   18   18   13 o   72.784   26.649   11.849   13.690   0.0000   0.0000   11.849   13.690  ?   ?    72.784   26.649      ?      ? 
1 1 1   18   18   15 o  289.135   10.103  226.547   15.785   0.0000   0.0000  226.547   15.785  ?   ?   289.135   10.103      ?      ? 
1 1 1   18   18   16 o  233.377   10.694  147.681   13.486   0.0000   0.0000  147.681   13.486  ?   ?   233.377   10.694      ?      ? 
1 1 1   18   18   20 f  414.222   8.9369  465.179   20.004   0.0000   0.0000  465.179   20.004  ?   ?   414.222   8.9369      ?      ? 
1 1 1   18   18   21 o  329.977   8.2422  295.110   14.697   0.0000   0.0000  295.110   14.697  ?   ?   329.977   8.2422      ?      ? 
1 1 1   18   18   22 o  172.732   7.5531   80.842   7.0500   0.0000   0.0000   80.842   7.0500  ?   ?   172.732   7.5531      ?      ? 
1 1 1   18   18   23 o  467.514   9.4972  593.503   23.993   0.0000   0.0000  593.503   23.993  ?   ?   467.514   9.4972      ?      ? 
1 1 1   18   18   24 o   83.348   15.018   19.592   6.5151   0.0000   0.0000   19.592   6.5151  ?   ?    83.348   15.018      ?      ? 
1 1 1   18   18   25 o  442.921   9.2000  532.916   22.019   0.0000   0.0000  532.916   22.019  ?   ?   442.921   9.2000      ?      ? 
1 1 1   18   18   26 o  269.526   6.0442  196.744   8.8029   0.0000   0.0000  196.744   8.8029  ?   ?   269.526   6.0442      ?      ? 
1 1 1   18   18   27 o   37.876   15.534   1.3845   5.0818   0.0000   0.0000   1.3845   5.0818  ?   ?    37.876   15.534      ?      ? 
1 1 1   18   18   28 o  124.993   8.2737   42.448   5.5882   0.0000   0.0000   42.448   5.5882  ?   ?   124.993   8.2737      ?      ? 
1 1 1   18   18   29 o  176.197   6.6178   84.213   6.3008   0.0000   0.0000   84.213   6.3008  ?   ?   176.197   6.6178      ?      ? 
1 1 1   18   18   30 o  187.871   7.0749   95.901   5.9381   96.959   12.705   95.606   6.7168  188.028   12.505  187.715   6.6218 0.3133087 14.14988 
1 1 1   18   18   31 o  243.162   6.9912  157.862   8.3066  169.549   15.765  153.371   9.7733  248.770   11.728  237.555   7.6136 11.21500 13.98237 
1 1 1   18   18   32 o  181.187   8.2455   92.285   7.4264   84.077   13.106   96.167   9.0130  174.536   13.896  187.838   8.8797 -13.30211 16.49099 
1 1 1   18   18   33 f  118.394   12.066   38.573   7.7195   0.0000   0.0000   38.573   7.7195  ?   ?   118.394   12.066      ?      ? 
1 1 1   18   18   34 o   49.634   15.933  -8.0683   9.7498 -21.0608   15.340   0.7378   12.629   44.447   21.426   54.820   23.589 -10.37363 31.86645 
1 1 1   18   18   35 o   47.032   22.291 -15.5293   15.163 -15.5293   15.163   0.0000   0.0000   47.032   22.291  ?   ?       ?      ? 
1 1 1   18   18   36 o   50.396   23.506 -11.5833   15.716 -11.5833   15.716   0.0000   0.0000   50.396   23.506  ?   ?       ?      ? 
1 1 1   18   18   39 o   44.917   20.112  -2.7072   10.054  -2.7072   10.054   0.0000   0.0000   44.917   20.112  ?   ?       ?      ? 
1 1 1   18   18   40 o   59.623   15.590   7.8279   7.5789   15.597   9.6096  -4.9572   12.327   71.587   22.376   47.660   21.712 23.92696 31.17904 
1 1 1   18   18   41 o   65.617   16.909   11.359   7.5700   9.0248   9.5106   15.394   12.505   59.215   22.114   72.019   25.586 -12.80399 33.81815 
1 1 1   18   18   42 o   53.638   14.158   7.2716   5.1843   6.0180   9.8753   7.7485   6.0911   54.676   21.934   52.599   17.906 2.077309 28.31509 
1 1 1   18   18   43 o   57.320   11.350   9.5873   4.8913  -6.2309   8.3363   17.892   6.0404   36.741   17.131   77.899   14.893 -41.15823 22.69945 
1 1 1   18   18   44 o  153.540   7.4052   66.794   5.8697   62.045   9.6553   69.577   7.3925  148.357   12.044  158.721   8.6193 -10.36397 14.81040 
1 1 1   18   18   45 o  142.242   7.9291   58.485   5.8175   49.697   9.3010   64.132   7.4561  132.291   13.011  152.193   9.0662 -19.90224 15.85822 
1 1 1   18   18   46 o   45.086   12.641   0.0342   4.9762   10.703   8.2171  -6.1444   6.2532   59.698   20.778   30.473   14.405 29.22527 25.28295 
1 1 1   18   18   47 o  205.660   8.1814  117.024   9.0921   0.0000   0.0000  117.024   9.0921  ?   ?   205.660   8.1814      ?      ? 
1 1 1   18   18   48 f   62.225   18.791   12.435   6.8500   0.0000   0.0000   12.435   6.8500  ?   ?    62.225   18.791      ?      ? 
1 1 1   18   18   49 o   47.539   13.546   4.7238   5.4720   0.7427   8.8748   7.1656   6.9504   44.216   19.388   50.862   18.923 -6.645786 27.09187 
1 1 1   18   18   50 o   74.811   14.094   18.228   5.7625   18.113   8.8584   18.312   7.5873   73.915   21.123   75.707   18.665 -1.792519 28.18803 
1 1 1   18   18   51 o   52.859   14.071   8.9083   5.5487   6.5821   8.5114   10.628   7.3173   49.563   20.190   56.155   19.604 -6.592064 28.14149 
1 1 1   18   18   52 o  130.285   9.3053   52.098   6.2768   40.832   9.5141   60.780   8.3525  115.318   15.268  145.251   10.642 -29.93209 18.61067 
1 1 1   18   18   53 o   65.935   13.590   16.033   5.8948   6.2832   9.1428   22.969   7.7118   49.147   20.557   82.723   17.781 -33.57671 27.18029 
1 1 1   18   19    0 o  369.898   9.5147  370.464   19.018   0.0000   0.0000  370.464   19.018  ?   ?   369.898   9.5147      ?      ? 
1 1 1   18   19    1 o  271.788   6.8399  199.996   10.027  183.951   14.024  216.774   14.341  260.620   9.9581  282.956   9.3793 -22.33582 13.67979 
1 1 1   18   19    2 o  149.313   9.2262   60.716   7.4122   63.813   10.197   57.247   10.793  153.400   12.302  145.227   13.754 8.173187 18.45242 
1 1 1   18   19    3 o  285.897   6.7718  221.331   10.461  223.347   14.864  219.352   14.727  287.187   9.5780  284.607   9.5757 2.580322 13.54366 
1 1 1   18   19    5 o  673.440   12.567  1230.36   45.730   0.0000   0.0000  1230.36   45.730  ?   ?   673.440   12.567      ?      ? 
1 1 1   18   19    6 o  143.654   9.7883   57.098   7.3527   40.410   10.338   74.185   10.460  121.903   15.693  165.405   11.703 -43.50176 19.57658 
1 1 1   18   19    7 o  383.827   9.4889  398.996   19.681   0.0000   0.0000  398.996   19.681  ?   ?   383.827   9.4889      ?      ? 
1 1 1   18   19    8 o  249.174   9.7360  168.182   13.109   0.0000   0.0000  168.182   13.109  ?   ?   249.174   9.7360      ?      ? 
1 1 1   18   19    9 o  107.984   11.478   31.769   6.6897   33.261   9.4102   30.244   9.5121  110.573   15.749  105.394   16.702 5.178780 22.95643 
1 1 1   18   19   10 o  171.117   7.9795   79.168   7.3579   76.475   9.9766   82.380   10.895  167.951   10.993  174.283   11.569 -6.332108 15.95891 
1 1 1   18   19   11 o  420.809   7.6162  480.829   16.589  477.477   27.729  482.697   20.702  419.456   12.234  422.162   9.0752 -2.705994 15.23235 
1 1 1   18   19   12 o  381.996   8.7695  395.199   18.102   0.0000   0.0000  395.199   18.102  ?   ?   381.996   8.7695      ?      ? 
1 1 1   18   19   13 o  436.703   10.421  517.132   24.593   0.0000   0.0000  517.132   24.593  ?   ?   436.703   10.421      ?      ? 
1 1 1   18   19   14 o  270.723   6.6462  198.336   9.7227   0.0000   0.0000  198.336   9.7227  ?   ?   270.723   6.6462      ?      ? 
1 1 1   18   19   15 o  277.912   10.902  209.637   16.372   0.0000   0.0000  209.637   16.372  ?   ?   277.912   10.902      ?      ? 
1 1 1   18   19   16 o  105.680   11.979   30.353   6.8407   0.0000   0.0000   30.353   6.8407  ?   ?   105.680   11.979      ?      ? 
1 1 1   18   19   17 o   96.572   12.565   25.371   6.5569   0.0000   0.0000   25.371   6.5569  ?   ?    96.572   12.565      ?      ? 
1 1 1   18   19   18 o  173.907   8.6040   81.991   8.0854   0.0000   0.0000   81.991   8.0854  ?   ?   173.907   8.6040      ?      ? 
1 1 1   18   19   19 o  190.089   9.8878   98.097   10.157   0.0000   0.0000   98.097   10.157  ?   ?   190.089   9.8878      ?      ? 
1 1 1   18   19   21 o  158.486   14.457   68.716   12.381   0.0000   0.0000   68.716   12.381  ?   ?   158.486   14.457      ?      ? 
1 1 1   18   19   23 o  185.252   12.675   93.679   12.688   0.0000   0.0000   93.679   12.688  ?   ?   185.252   12.675      ?      ? 
1 1 1   18   19   24 o  117.047   19.001   37.919   12.018   0.0000   0.0000   37.919   12.018  ?   ?   117.047   19.001      ?      ? 
1 1 1   18   19   26 o   81.066   24.707   18.868   11.802   0.0000   0.0000   18.868   11.802  ?   ?    81.066   24.707      ?      ? 
1 1 1   18   19   27 f  114.322   18.226   36.387   11.259   0.0000   0.0000   36.387   11.259  ?   ?   114.322   18.226      ?      ? 
1 1 1   18   19   28 o  384.252   13.203  405.631   27.413   0.0000   0.0000  405.631   27.413  ?   ?   384.252   13.203      ?      ? 
1 1 1   18   19   29 o  317.890   13.577  278.153   23.321   0.0000   0.0000  278.153   23.321  ?   ?   317.890   13.577      ?      ? 
1 1 1   18   19   35 o  110.302   15.725   32.715   9.0157   21.306   11.120   54.595   15.400   83.503   23.599  137.102   20.787 -53.59943 31.44904 
1 1 1   18   19   36 o   75.174   14.182   18.517   6.1683   8.3919   10.828   23.382   7.5052   60.626   23.372   89.722   16.070 -29.09596 28.36419 
1 1 1   18   19   37 o  228.188   7.2024  142.732   8.3282  146.081   14.628  141.126   10.130  229.366   11.802  227.011   8.2582 2.355362 14.40471 
1 1 1   18   19   38 o   99.291   11.670   25.498   5.7990   36.014   11.022   21.473   6.8192  111.419   18.306   87.163   14.478 24.25571 23.33968 
1 1 1   18   19   39 o   67.013   13.951   13.560   5.2823   12.775   8.8596   13.993   6.5796   65.705   21.582   68.322   17.685 -2.616219 27.90191 
1 1 1   18   19   40 o   59.333   13.643   8.7118   5.0546   16.163   8.4859   4.6147   6.2927   72.443   20.665   46.223   17.818 26.22047 27.28592 
1 1 1   18   19   41 o   98.921   10.856   28.917   5.3388   26.752   8.9046   30.133   6.6706   94.188   18.154  103.655   11.909 -9.467415 21.71175 
1 1 1   18   19   42 o  102.990   11.075   33.763   5.3847   22.950   8.8759   40.060   6.7735   86.102   19.526  119.878   10.457 -33.77612 22.14995 
1 1 1   18   19   43 f   96.413   11.557   29.744   5.3699   20.354   8.7954   35.324   6.7803   80.555   20.233  112.271   11.176 -31.71564 23.11449 
1 1 1   18   19   44 o  166.503   7.0313   75.063   6.1566   86.612   10.190   68.424   7.7264  175.898   10.721  157.108   9.1010 18.79008 14.06266 
1 1 1   18   19   45 o  128.468   8.6651   46.655   5.7754   47.976   9.6474   45.918   7.2101  128.989   13.841  127.946   10.429 1.042282 17.33015 
1 1 1   18   19   46 o  152.947   7.6078   66.632   6.1089   62.788   9.6898   69.168   7.8700  148.413   12.082  157.482   9.2481 -9.069031 15.21559 
1 1 1   18   19   47 o  117.513   10.398   43.745   5.8779   31.644   9.4117   51.483   7.5262  100.187   18.049  134.840   10.329 -34.65310 20.79547 
1 1 1   18   19   48 o  130.246   8.8944   49.969   6.0650   42.510   9.3176   55.453   7.9892  120.425   14.319  140.067   10.556 -19.64212 17.78879 
1 1 1   18   19   49 o   53.072   14.120   7.3566   5.5007   11.203   8.5723   4.6644   7.1721   59.679   21.186   46.465   18.674 13.21412 28.24088 
1 1 1   18   19   50 o   79.035   13.517   21.698   5.6547   20.914   8.8787   22.233   7.3346   75.931   20.954   82.139   17.082 -6.207703 27.03457 
1 1 1   18   19   51 o   32.946   11.066  -9.5751   5.3834  -0.2437   8.1786 -16.7089   7.1510   40.501   18.136   25.392   12.683 15.10870 22.13099 
1 1 1   18   19   52 o   81.966   13.260   23.009   5.7247   25.807   8.6032   20.785   7.6689   86.353   18.957   77.579   18.545 8.774109 26.51966 
1 1 1   18   20    2 o   69.435   15.724   12.382   7.0986   18.670   9.7652   5.3359   10.337   81.192   21.799   57.678   22.666 23.51476 31.44717 
1 1 1   18   20    3 o  327.588   9.3760  290.686   16.597   0.0000   0.0000  290.686   16.597  ?   ?   327.588   9.3760      ?      ? 
1 1 1   18   20    6 o  210.091   11.008  119.705   12.497   0.0000   0.0000  119.705   12.497  ?   ?   210.091   11.008      ?      ? 
1 1 1   18   20    7 o  371.954   6.8301  374.931   13.727  375.274   19.338  374.584   19.490  372.130   9.6166  371.778   9.7016 0.3521423 13.66018 
1 1 1   18   20   10 o  204.922   7.0104  117.565   7.3359  101.712   12.127  126.715   9.2129  193.533   11.596  216.310   7.8819 -22.77657 14.02081 
1 1 1   18   20   11 o  417.231   7.6516  469.767   16.466  481.757   27.957  463.399   20.375  421.004   12.289  413.459   9.1198 7.545013 15.30320 
1 1 1   18   20   12 o  287.972   11.219  225.229   17.458   0.0000   0.0000  225.229   17.458  ?   ?   287.972   11.219      ?      ? 
1 1 1   18   20   13 o  260.698   7.5158  184.074   10.588   0.0000   0.0000  184.074   10.588  ?   ?   260.698   7.5158      ?      ? 
1 1 1   18   20   14 o  140.635   9.6303   53.662   7.3185   0.0000   0.0000   53.662   7.3185  ?   ?   140.635   9.6303      ?      ? 
1 1 1   18   20   15 o  366.690   10.406  365.164   20.618   0.0000   0.0000  365.164   20.618  ?   ?   366.690   10.406      ?      ? 
1 1 1   18   20   16 o  201.244   7.4911  109.733   8.1462   0.0000   0.0000  109.733   8.1462  ?   ?   201.244   7.4911      ?      ? 
1 1 1   18   20   17 o  282.391   7.1917  216.072   10.974   0.0000   0.0000  216.072   10.974  ?   ?   282.391   7.1917      ?      ? 
1 1 1   18   20   18 o  371.528   8.4928  374.572   17.050   0.0000   0.0000  374.572   17.050  ?   ?   371.528   8.4928      ?      ? 
1 1 1   18   20   19 o  256.054   8.1857  177.900   11.326   0.0000   0.0000  177.900   11.326  ?   ?   256.054   8.1857      ?      ? 
1 1 1   18   20   20 o  445.107   9.2449  538.219   22.236   0.0000   0.0000  538.219   22.236  ?   ?   445.107   9.2449      ?      ? 
1 1 1   18   20   21 o  466.645   9.4896  591.859   23.929   0.0000   0.0000  591.859   23.929  ?   ?   466.645   9.4896      ?      ? 
1 1 1   18   20   22 o  305.804   6.9153  253.536   11.427   0.0000   0.0000  253.536   11.427  ?   ?   305.804   6.9153      ?      ? 
1 1 1   18   20   23 o  147.280   10.129   59.085   8.0614   0.0000   0.0000   59.085   8.0614  ?   ?   147.280   10.129      ?      ? 
1 1 1   18   20   24 o  204.522   8.3775  113.712   9.2585   0.0000   0.0000  113.712   9.2585  ?   ?   204.522   8.3775      ?      ? 
1 1 1   18   20   25 o   52.664   18.837   6.7202   6.7890   0.0000   0.0000   6.7202   6.7890  ?   ?    52.664   18.837      ?      ? 
1 1 1   18   20   27 o  215.450   8.1562  126.276   9.4956   0.0000   0.0000  126.276   9.4956  ?   ?   215.450   8.1562      ?      ? 
1 1 1   18   20   28 f  151.322   9.0801   62.441   7.4247   0.0000   0.0000   62.441   7.4247  ?   ?   151.322   9.0801      ?      ? 
1 1 1   18   20   29 o  132.038   9.6816   47.662   6.9077   0.0000   0.0000   47.662   6.9077  ?   ?   132.038   9.6816      ?      ? 
1 1 1   18   20   30 o  191.152   9.3718   99.902   9.6803   0.0000   0.0000   99.902   9.6803  ?   ?   191.152   9.3718      ?      ? 
1 1 1   18   20   31 o  258.548   7.2568  180.183   9.6339  193.423   16.673  173.546   11.804  265.005   11.643  252.091   8.6653 12.91365 14.51360 
1 1 1   18   20   32 o  140.395   9.1771   56.233   5.6519   51.779   12.052   57.489   6.3991  135.660   16.441  145.131   8.1596 -9.471649 18.35426 
1 1 1   18   20   33 o  183.205   7.9594  101.113   6.2745   78.311   13.076  107.934   7.1516  167.288   14.465  199.122   6.6466 -31.83389 15.91876 
1 1 1   18   20   34 o  100.454   11.029   28.477   5.9452   28.618   8.9504   28.365   7.9531  100.421   16.494  100.488   14.647 -0.6649017E-01 22.05857 
1 1 1   18   20   35 o  105.492   10.643   30.854   5.9139   33.799   9.6593   29.089   7.4797  109.033   16.394  101.950   13.577 7.082962 21.28650 
1 1 1   18   20   36 o   54.835   14.119   7.6958   5.5450   4.0935   8.7954   10.072   7.1435   50.494   20.541   59.177   19.376 -8.682949 28.23810 
1 1 1   18   20   37 o   45.787   13.386   2.5888   5.4173   0.1593   8.4646   4.2743   7.0504   44.296   19.185   47.279   18.674 -2.982655 26.77285 
1 1 1   18   20   38 o  161.990   7.4425   73.315   6.4222   69.105   9.7717   76.517   8.5210  157.467   11.484  166.512   9.4702 -9.044556 14.88507 
1 1 1   18   20   39 o  236.675   6.3479  156.227   8.0236  136.813   11.742  173.232   10.990  222.276   9.7761  251.075   8.1000 -28.79895 12.69579 
1 1 1   18   20   40 o  230.971   8.1793  146.833   10.208   0.0000   0.0000  146.833   10.208  ?   ?   230.971   8.1793      ?      ? 
1 1 1   18   20   41 o   39.478   12.453  -1.7249   5.2168   0.0329   8.5480  -2.7682   6.5854   43.712   19.101   35.245   15.984 8.467079 24.90664 
1 1 1   18   20   42 o   39.705   12.089  -1.6092   5.2671 -12.2079   8.6623   4.6078   6.6344   32.930   15.929   46.481   18.190 -13.55134 24.17884 
1 1 1   18   20   43 o   60.275   12.635   11.328   5.3759  -1.2201   8.9966   18.297   6.7045   42.952   19.143   77.598   16.497 -34.64606 25.27088 
1 1 1   18   20   44 o   56.434   14.122   9.1124   5.2448   10.341   8.6260   8.3917   6.6062   59.140   21.224   53.727   18.634 5.412991 28.24368 
1 1 1   18   20   45 o  213.570   6.5278  129.413   7.4091  113.720   11.060  142.189   9.9791  200.855   10.190  226.284   8.1611 -25.42856 13.05560 
1 1 1   18   20   46 o   54.764   14.083   8.9766   5.4139   6.8432   8.7629   10.294   6.8851   52.229   20.759   57.299   19.035 -5.069790 28.16516 
1 1 1   18   20   47 o  165.751   9.5534   76.988   8.5566   0.0000   0.0000   76.988   8.5566  ?   ?   165.751   9.5534      ?      ? 
1 1 1   18   20   48 o   84.914   12.465   23.875   5.6156   15.376   8.3417   30.919   7.5942   67.449   20.810  102.380   13.727 -34.93128 24.92940 
1 1 1   18   20   49 o   96.952   11.267   29.402   5.8493   32.312   9.0241   27.294   7.6813  100.408   16.632   93.496   15.204 6.911293 22.53417 
1 1 1   18   20   50 o   48.168   13.676   5.9532   5.3924   6.8351   8.2040   5.2824   7.1553   50.053   20.023   46.283   18.634 3.770180 27.35237 
1 1 1   18   20   51 o   78.518   12.883   22.158   5.6564   14.320   8.4756   28.452   7.5953   61.786   21.122   95.249   14.757 -33.46265 25.76625 
1 1 1   18   21    0 o  250.829   8.5006  168.510   11.434  199.527   17.311  144.505   15.229  271.040   11.819  230.619   12.220 40.42107 17.00113 
1 1 1   18   21    1 f  299.849   8.3241  243.190   13.459  227.928   18.331  261.036   19.823  289.694   11.710  310.004   11.833 -20.30988 16.64817 
1 1 1   18   21    2 o  459.751   9.4182  574.995   23.397  574.549   32.918  575.450   33.261  459.586   13.255  459.916   13.383 -0.3298950 18.83634 
1 1 1   18   21    3 o  270.660   8.1024  198.347   11.820  190.991   16.047  207.072   17.477  265.222   11.197  276.098   11.714 -10.87595 16.20481 
1 1 1   18   21    4 o  288.536   8.0705  225.585   12.552  219.009   17.067  233.333   18.526  284.004   11.121  293.068   11.698 -9.063385 16.14099 
1 1 1   18   21    5 o  179.377   9.1496   86.532   8.8076   79.324   11.650   96.149   13.456  170.788   12.623  187.967   13.248 -17.17932 18.29926 
1 1 1   18   21    6 o  195.249   8.5607  103.100   8.9855   98.716   12.012  108.671   13.540  190.603   11.662  199.895   12.535 -9.291763 17.12141 
1 1 1   18   21    7 o  419.327   8.8762  477.722   20.094  465.766   27.706  490.991   29.186  413.835   12.390  424.819   12.714 -10.98468 17.75248 
1 1 1   18   21    8 o  460.575   9.3137  577.516   23.177  589.640   32.879  565.540   32.677  465.406   13.074  455.744   13.269 9.661407 18.62730 
1 1 1   18   21    9 o  330.077   8.1340  292.577   14.401  268.018   19.007  325.676   22.066  314.062   11.200  346.091   11.799 -32.02921 16.26791 
1 1 1   18   21   10 o  349.286   8.2249  331.333   15.494  325.676   21.187  337.838   22.717  346.142   11.327  352.430   11.929 -6.288452 16.44971 
1 1 1   18   21   11 o  130.919   15.672   46.869   11.087   0.0000   0.0000   46.869   11.087  ?   ?   130.919   15.672      ?      ? 
1 1 1   18   21   14 o  140.233   12.005   53.593   9.0969   0.0000   0.0000   53.593   9.0969  ?   ?   140.233   12.005      ?      ? 
1 1 1   18   21   16 o  167.357   10.518   76.211   9.5116   0.0000   0.0000   76.211   9.5116  ?   ?   167.357   10.518      ?      ? 
1 1 1   18   21   20 o  192.982   9.0842  101.283   9.4730   0.0000   0.0000  101.283   9.4730  ?   ?   192.982   9.0842      ?      ? 
1 1 1   18   21   21 f  208.857   8.7847  118.647   9.9144   0.0000   0.0000  118.647   9.9144  ?   ?   208.857   8.7847      ?      ? 
1 1 1   18   21   22 o  253.875   7.6690  175.089   10.521   0.0000   0.0000  175.089   10.521  ?   ?   253.875   7.6690      ?      ? 
1 1 1   18   21   23 o  120.003   9.9299   39.278   6.4391   0.0000   0.0000   39.278   6.4391  ?   ?   120.003   9.9299      ?      ? 
1 1 1   18   21   24 o   68.322   16.137   13.443   5.8626   0.0000   0.0000   13.443   5.8626  ?   ?    68.322   16.137      ?      ? 
1 1 1   18   21   25 o   76.893   15.217   16.907   6.0989   0.0000   0.0000   16.907   6.0989  ?   ?    76.893   15.217      ?      ? 
1 1 1   18   21   26 o   41.694   17.512   1.0131   6.6783   0.0000   0.0000   1.0131   6.6783  ?   ?    41.694   17.512      ?      ? 
1 1 1   18   21   27 o   40.556   16.513   2.0071   5.6905   0.0000   0.0000   2.0071   5.6905  ?   ?    40.556   16.513      ?      ? 
1 1 1   18   21   28 o   89.316   18.336   23.282   8.5529   0.0000   0.0000   23.282   8.5529  ?   ?    89.316   18.336      ?      ? 
1 1 1   18   21   29 o  150.889   7.8955   62.068   6.4376   0.0000   0.0000   62.068   6.4376  ?   ?   150.889   7.8955      ?      ? 
1 1 1   18   21   30 o  111.502   9.6998   34.080   5.8443   0.0000   0.0000   34.080   5.8443  ?   ?   111.502   9.6998      ?      ? 
1 1 1   18   21   31 o   78.377   12.681   17.056   5.3706   0.0000   0.0000   17.056   5.3706  ?   ?    78.377   12.681      ?      ? 
1 1 1   18   21   32 o   75.300   13.431   15.855   4.7651   18.759   10.184   15.040   5.3918   78.505   22.712   72.095   14.345 6.410141 26.86266 
1 1 1   18   21   33 o  263.107   6.7848  192.507   8.1533  186.261   16.694  194.463   9.3435  259.016   11.927  267.199   6.4712 -8.182922 13.56969 
1 1 1   18   21   34 o  196.941   8.0967  105.317   8.1315  115.113   14.314  100.649   9.8807  202.737   13.066  191.144   9.5662 11.59325 16.19345 
1 1 1   18   21   35 o   70.447   19.593   15.027   7.7295   0.0000   0.0000   15.027   7.7295  ?   ?    70.447   19.593      ?      ? 
1 1 1   18   21   36 o  172.033   7.6571   83.841   6.9615   69.733   10.348   95.505   9.4088  157.954   12.124  186.111   9.3556 -28.15666 15.31414 
1 1 1   18   21   37 o   76.775   13.666   18.850   5.9353   11.020   9.0226   24.823   7.8804   61.989   21.761   91.561   16.536 -29.57233 27.33141 
1 1 1   18   21   38 o  208.213   6.7443  120.239   7.5066  118.705   11.437  121.400   9.9493  206.657   10.242  209.770   8.7773 -3.112793 13.48862 
1 1 1   18   21   39 o  148.572   8.2208   62.923   6.4395   57.083   9.9760   67.094   8.4312  141.854   13.014  155.290   10.048 -13.43591 16.44170 
1 1 1   18   21   40 o   60.793   14.643   10.321   5.6945   14.509   9.1504   7.6737   7.2749   68.186   21.900   53.400   19.445 14.78552 29.28676 
1 1 1   18   21   41 o   97.523   12.564   32.129   6.0145   17.113   9.5459   42.015   7.7453   72.994   22.214  122.051   11.744 -49.05701 25.12759 
1 1 1   18   21   42 o   50.887   14.043   6.1946   5.5645   4.5183   8.8614   7.2859   7.1500   49.806   20.480   51.967   19.220 -2.160751 28.08667 
1 1 1   18   21   43 o  133.394   9.1035   53.391   6.2115   38.231   9.3560   65.340   8.3063  114.144   15.169  152.643   10.070 -38.49910 18.20709 
1 1 1   18   21   44 o  107.479   11.516   38.157   5.8706   24.221   9.2618   47.515   7.5900   85.725   20.306  129.232   10.869 -43.50710 23.03218 
1 1 1   18   21   45 o   45.989   13.443   3.6861   5.3821   4.4621   8.2722   3.1166   7.0873   48.081   19.781   43.898   18.208 4.182243 26.88547 
1 1 1   18   21   46 o   38.959   17.246  -0.5376   7.1805   0.0000   0.0000  -0.5376   7.1805  ?   ?    38.959   17.246      ?      ? 
1 1 1   18   21   47 o  144.985   8.1072   61.851   6.2614   57.356   9.4352   65.389   8.3700  139.176   12.546  150.795   10.272 -11.61850 16.21449 
1 1 1   18   21   48 o   72.646   14.099   17.525   5.7046   24.063   9.0386   13.196   7.3544   83.329   20.268   61.963   19.605 21.36568 28.19830 
1 1 1   18   21   49 o   55.102   14.450   10.167   5.6674   9.5796   9.1872   10.528   7.2007   54.453   21.378   55.751   19.448 -1.298649 28.90016 
1 1 1   18   22    0 o  224.949   10.467  137.430   12.722   0.0000   0.0000  137.430   12.722  ?   ?   224.949   10.467      ?      ? 
1 1 1   18   22    1 o  303.847   9.3823  250.494   15.405   0.0000   0.0000  250.494   15.405  ?   ?   303.847   9.3823      ?      ? 
1 1 1   18   22    2 o  179.835   8.5280   87.887   8.2820   91.492   11.963   84.569   11.477  183.370   12.073  176.299   12.048 7.071350 17.05597 
1 1 1   18   22    3 o  154.577   9.1756   65.097   7.6632   63.740   10.816   66.465   10.859  152.948   13.087  156.206   12.865 -3.257813 18.35118 
1 1 1   18   22    4 o  214.849   7.9476  124.557   9.1738  134.167   13.904  117.149   12.208  222.089   11.586  207.609   10.882 14.47977 15.89514 
1 1 1   18   22    5 o  192.961   8.5067   99.696   8.7835  121.419   13.346   83.097   11.666  211.240   11.692  174.682   12.359 36.55849 17.01342 
1 1 1   18   22    6 o  377.378   7.7333  386.956   15.456  388.739   24.434  385.767   19.956  377.864   11.967  376.892   9.7986 0.9725952 15.46668 
1 1 1   18   22    7 o  268.466   7.4266  193.813   10.657  209.887   16.568  182.471   13.918  277.771   11.038  259.161   9.9384 18.61026 14.85322 
1 1 1   18   22    8 o  393.866   12.105  422.748   25.763  422.748   25.763   0.0000   0.0000  393.866   12.105  ?   ?       ?      ? 
1 1 1   18   22    9 o  525.074   14.316  754.279   40.618  754.279   40.618   0.0000   0.0000  525.074   14.316  ?   ?       ?      ? 
1 1 1   18   22   10 o  360.195   7.2985  349.741   13.667  364.414   22.876  341.597   17.042  365.706   11.576  354.685   8.8919 11.02112 14.59696 
1 1 1   18   22   11 o  294.839   8.6737  236.004   13.819   0.0000   0.0000  236.004   13.819  ?   ?   294.839   8.6737      ?      ? 
1 1 1   18   22   12 o  353.548   8.5345  339.294   16.305   0.0000   0.0000  339.294   16.305  ?   ?   353.548   8.5345      ?      ? 
1 1 1   18   22   13 o  103.500   12.344   29.230   6.9038   0.0000   0.0000   29.230   6.9038  ?   ?   103.500   12.344      ?      ? 
1 1 1   18   22   14 o   46.660   18.243   3.7186   6.6681   0.0000   0.0000   3.7186   6.6681  ?   ?    46.660   18.243      ?      ? 
1 1 1   18   22   15 o  213.704   7.4394  123.884   8.5908   0.0000   0.0000  123.884   8.5908  ?   ?   213.704   7.4394      ?      ? 
1 1 1   18   22   16 o  106.377   11.756   30.902   6.7579   0.0000   0.0000   30.902   6.7579  ?   ?   106.377   11.756      ?      ? 
1 1 1   18   22   17 o  187.394   7.5645   95.333   7.6599   0.0000   0.0000   95.333   7.6599  ?   ?   187.394   7.5645      ?      ? 
1 1 1   18   22   18 o  157.261   8.4761   67.248   7.2028   0.0000   0.0000   67.248   7.2028  ?   ?   157.261   8.4761      ?      ? 
1 1 1   18   22   19 o  118.419   14.803   38.666   9.4727   0.0000   0.0000   38.666   9.4727  ?   ?   118.419   14.803      ?      ? 
1 1 1   18   22   20 o  260.424   6.6327  184.021   9.3338   0.0000   0.0000  184.021   9.3338  ?   ?   260.424   6.6327      ?      ? 
1 1 1   18   22   21 o  144.938   12.001   57.581   9.3991   0.0000   0.0000   57.581   9.3991  ?   ?   144.938   12.001      ?      ? 
1 1 1   18   22   22 o  112.928   10.600   34.866   6.4686   0.0000   0.0000   34.866   6.4686  ?   ?   112.928   10.600      ?      ? 
1 1 1   18   22   23 o  114.592   10.444   35.924   6.4672   0.0000   0.0000   35.924   6.4672  ?   ?   114.592   10.444      ?      ? 
1 1 1   18   22   24 o  153.253   8.2403   64.004   6.8240   0.0000   0.0000   64.004   6.8240  ?   ?   153.253   8.2403      ?      ? 
1 1 1   18   22   25 o  167.240   7.9261   76.211   7.1629   0.0000   0.0000   76.211   7.1629  ?   ?   167.240   7.9261      ?      ? 
1 1 1   18   22   26 o   71.546   16.302   14.882   6.1621   0.0000   0.0000   14.882   6.1621  ?   ?    71.546   16.302      ?      ? 
1 1 1   18   22   28 o  101.525   11.248   28.413   6.1709   0.0000   0.0000   28.413   6.1709  ?   ?   101.525   11.248      ?      ? 
1 1 1   18   22   29 f   62.915   16.486   11.613   5.6721   0.0000   0.0000   11.613   5.6721  ?   ?    62.915   16.486      ?      ? 
1 1 1   18   22   30 o  135.937   8.6849   50.627   6.3795   0.0000   0.0000   50.627   6.3795  ?   ?   135.937   8.6849      ?      ? 
1 1 1   18   22   31 o  124.692   8.9829   42.674   6.0526   0.0000   0.0000   42.674   6.0526  ?   ?   124.692   8.9829      ?      ? 
1 1 1   18   22   32 o   47.546   16.811   5.8579   5.3925   0.0000   0.0000   5.8579   5.3925  ?   ?    47.546   16.811      ?      ? 
1 1 1   18   22   33 o   55.828   14.561   6.1207   4.8971   13.059   10.835   4.3397   5.4898   67.448   23.832   44.207   16.739 23.24077 29.12297 
1 1 1   18   22   34 o  112.120   10.268   32.797   5.3546   41.554   11.319   30.273   6.0777  119.799   17.485  104.442   10.769 15.35711 20.53505 
1 1 1   18   22   35 o   51.722   14.859   4.7700   6.3987   4.2770   10.228   5.0870   8.2022   52.898   21.902   50.546   20.086 2.351746 29.71719 
1 1 1   18   22   36 o   92.768   12.713   26.026   6.1806   22.492   9.1490   28.993   8.3827   85.155   20.190  100.381   15.454 -15.22624 25.42537 
1 1 1   18   22   37 o   50.805   14.199   5.1885   5.9584   0.9320   9.0781   8.4100   7.8976   46.025   19.901   55.585   20.257 -9.560883 28.39736 
1 1 1   18   22   38 o   96.606   12.170   27.927   6.1096   26.873   9.3778   28.705   8.0533   93.405   19.221   99.807   14.932 -6.401909 24.33958 
1 1 1   18   22   39 o   99.295   12.555   30.613   6.3412   24.423   9.7743   35.112   8.3328   87.854   20.894  110.737   13.925 -22.88248 25.10930 
1 1 1   18   22   40 o  104.621   14.002   31.584   7.9157   0.0000   0.0000   31.584   7.9157  ?   ?   104.621   14.002      ?      ? 
1 1 1   18   22   41 o   71.231   13.773   16.516   5.9543   7.9481   8.8803   23.514   8.0258   55.076   21.185   87.387   17.605 -32.31080 27.54513 
1 1 1   18   22   42 o   59.582   14.467   11.252   5.6148   10.351   8.6948   11.896   7.3537   58.199   21.248   60.966   19.638 -2.767036 28.93320 
1 1 1   18   22   43 o   95.990   12.229   28.621   6.0321   27.357   9.5219   29.468   7.7959   91.951   19.753  100.030   14.423 -8.078568 24.45789 
1 1 1   18   22   44 o   90.842   12.765   25.215   5.9827   30.499   9.3694   21.577   7.7738   98.756   18.229   82.928   17.874 15.82796 25.53009 
1 1 1   18   22   45 o  108.343   11.665   37.521   6.2993   27.648   9.4815   45.323   8.4283   91.778   19.707  124.908   12.487 -33.12975 23.33003 
1 1 1   18   22   46 o   58.310   14.282   10.975   5.8186   18.332   8.7577   5.1610   7.7852   70.504   21.238   46.117   19.102 24.38685 28.56464 
1 1 1   18   22   47 o   46.933   13.726   4.8228   5.7569   1.6087   9.1420   6.9348   7.4108   44.357   19.557   49.510   19.266 -5.152565 27.45287 
1 1 1   18   22   48 f   40.100   12.434  -0.7663   5.7850 -11.1055   8.9987   6.5170   7.5526   32.534   15.852   47.666   19.161 -15.13175 24.86810 
1 1 1   18   23    0 o   55.262   15.543   4.6222   6.9796   3.0755   9.8923   6.1555   9.8490   53.040   21.704   57.484   22.255 -4.444885 31.08620 
1 1 1   18   23    3 o  113.491   16.666   35.420   10.221   0.0000   0.0000   35.420   10.221  ?   ?   113.491   16.666      ?      ? 
1 1 1   18   23    4 o   79.305   14.999   17.840   6.7103   12.468   9.2881   23.705   9.7053   67.841   22.089   90.770   20.296 -22.92949 29.99721 
1 1 1   18   23    5 o  305.768   9.7509  254.146   16.111   0.0000   0.0000  254.146   16.111  ?   ?   305.768   9.7509      ?      ? 
1 1 1   18   23    6 o  138.529   9.7010   52.308   7.2499   49.125   9.9281   55.944   10.612  134.030   13.708  143.027   13.731 -8.996918 19.40199 
1 1 1   18   23    7 o  444.445   7.2298  537.486   17.358  523.973   24.586  550.917   24.511  438.831   10.368  450.059   10.079 -11.22849 14.45950 
1 1 1   18   23    8 o   47.235   14.071   1.0169   5.9242   1.6347   9.8193   0.6634   7.4285   50.889   21.297   43.580   18.396 7.308941 28.14176 
1 1 1   18   23    9 o  184.170   7.7839   94.956   7.3717   83.446   12.058  101.825   9.3154  174.745   12.770  193.595   8.9046 -18.85020 15.56788 
1 1 1   18   23   10 o  228.056   8.8288  141.325   10.880   0.0000   0.0000  141.325   10.880  ?   ?   228.056   8.8288      ?      ? 
1 1 1   18   23   11 o  230.860   13.288  145.964   16.576   0.0000   0.0000  145.964   16.576  ?   ?   230.860   13.288      ?      ? 
1 1 1   18   23   12 o  279.297   7.8193  211.815   11.801   0.0000   0.0000  211.815   11.801  ?   ?   279.297   7.8193      ?      ? 
1 1 1   18   23   13 o  148.097   9.4595   59.717   7.5701   0.0000   0.0000   59.717   7.5701  ?   ?   148.097   9.4595      ?      ? 
1 1 1   18   23   14 o  257.015   7.7409  179.443   10.751   0.0000   0.0000  179.443   10.751  ?   ?   257.015   7.7409      ?      ? 
1 1 1   18   23   15 o  127.121   10.638   44.125   7.3071   0.0000   0.0000   44.125   7.3071  ?   ?   127.121   10.638      ?      ? 
1 1 1   18   23   16 o  325.651   8.4264  288.485   14.828   0.0000   0.0000  288.485   14.828  ?   ?   325.651   8.4264      ?      ? 
1 1 1   18   23   17 o  108.017   12.140   31.986   7.0859   0.0000   0.0000   31.986   7.0859  ?   ?   108.017   12.140      ?      ? 
1 1 1   18   23   18 o  192.376   10.591  101.147   11.009   0.0000   0.0000  101.147   11.009  ?   ?   192.376   10.591      ?      ? 
1 1 1   18   23   19 o  125.039   10.113   42.714   6.8333   0.0000   0.0000   42.714   6.8333  ?   ?   125.039   10.113      ?      ? 
1 1 1   18   23   20 o   34.235   15.527  -3.3258   6.2156   0.0000   0.0000  -3.3258   6.2156  ?   ?    34.235   15.527      ?      ? 
1 1 1   18   23   21 o  223.976   7.0559  136.406   8.5397   0.0000   0.0000  136.406   8.5397  ?   ?   223.976   7.0559      ?      ? 
1 1 1   18   23   22 o   61.644   17.786   10.969   6.2530   0.0000   0.0000   10.969   6.2530  ?   ?    61.644   17.786      ?      ? 
1 1 1   18   23   23 o  148.102   8.8993   59.922   7.1221   0.0000   0.0000   59.922   7.1221  ?   ?   148.102   8.8993      ?      ? 
1 1 1   18   23   24 o   95.883   12.269   25.388   6.3568   0.0000   0.0000   25.388   6.3568  ?   ?    95.883   12.269      ?      ? 
1 1 1   18   23   25 o  141.801   8.9828   55.011   6.8830   0.0000   0.0000   55.011   6.8830  ?   ?   141.801   8.9828      ?      ? 
1 1 1   18   23   26 o  198.048   13.264  109.163   14.194   0.0000   0.0000  109.163   14.194  ?   ?   198.048   13.264      ?      ? 
1 1 1   18   23   27 o  105.296   12.825   30.860   7.2970   0.0000   0.0000   30.860   7.2970  ?   ?   105.296   12.825      ?      ? 
1 1 1   18   23   29 o   95.528   11.791   25.356   6.0865   0.0000   0.0000   25.356   6.0865  ?   ?    95.528   11.791      ?      ? 
1 1 1   18   23   30 o   58.991   17.175   10.259   5.8071   0.0000   0.0000   10.259   5.8071  ?   ?    58.991   17.175      ?      ? 
1 1 1   18   23   31 o  156.985   8.1266   67.573   6.8938   0.0000   0.0000   67.573   6.8938  ?   ?   156.985   8.1266      ?      ? 
1 1 1   18   23   32 o   92.148   11.995   23.729   5.9729   0.0000   0.0000   23.729   5.9729  ?   ?    92.148   11.995      ?      ? 
1 1 1   18   23   33 o  157.851   8.6374   70.486   6.7931   68.288   12.105   71.496   8.2071  154.865   14.465  160.837   9.4432 -5.971222 17.27488 
1 1 1   18   23   34 o  195.270   8.1440  105.897   7.7362  108.761   14.578  104.774   9.1274  195.609   13.792  194.932   8.6651 0.6776886 16.28797 
1 1 1   18   23   35 o  160.068   8.5728   71.186   6.1403   74.032   13.111   70.387   6.9495  160.239   15.142  159.898   8.0431 0.3417969 17.14552 
1 1 1   18   23   36 o  156.209   9.5874   69.670   7.7842   69.009   12.821   70.055   9.7963  154.470   15.360  157.948   11.478 -3.478180 19.17487 
1 1 1   18   23   37 o   38.677   12.511  -5.7736   6.0587   0.5932   8.7574 -11.6186   8.3908   44.795   19.457   32.558   15.732 12.23655 25.02185 
1 1 1   18   23   38 f   64.025   14.635   11.861   6.1215   19.220   9.1093   5.8001   8.2662   77.152   21.198   50.898   20.183 26.25321 29.26947 
1 1 1   18   23   39 o  116.570   10.837   40.464   6.6705   34.543   9.9911   45.225   8.9599  107.582   17.186  125.557   13.206 -17.97561 21.67428 
1 1 1   18   23   40 o  188.490   7.6195  101.691   7.6656   89.332   11.234  112.460   10.486  176.831   11.757  200.150   9.6956 -23.31911 15.23900 
1 1 1   18   23   41 o   42.753   13.392  -1.5768   6.2299   4.6464   9.4708  -6.3236   8.2714   49.929   20.907   35.576   16.741 14.35214 26.78325 
1 1 1   18   23   42 o   56.513   14.886   9.0184   6.4128   3.4357   9.8920   13.066   8.4224   49.397   21.055   63.628   21.049 -14.23159 29.77237 
1 1 1   18   23   43 o   63.749   15.169   13.067   6.1183   15.204   9.4747   11.537   8.0131   67.330   22.328   60.169   20.538 7.160767 30.33709 
1 1 1   18   23   44 o   67.418   13.210   13.378   6.0976   29.712   9.3087   1.1027   8.0699   93.516   19.068   41.320   18.288 52.19571 26.42018 
1 1 1   18   23   45 o   34.386   11.546  -7.0557   5.8765 -11.3624   8.9446  -3.7850   7.7949   32.852   15.961   35.919   16.687 -3.067055 23.09104 
1 1 1   18   23   46 o   57.825   14.987   11.667   6.0769   11.846   9.4632   11.541   7.9273   58.054   21.979   57.596   20.381 0.4577866 29.97395 
1 1 1   18   24    0 o  343.290   9.7602  320.718   18.105   0.0000   0.0000  320.718   18.105  ?   ?   343.290   9.7602      ?      ? 
1 1 1   18   24    1 o  227.566   7.6166  141.374   9.3495  132.521   13.276  150.085   13.169  220.416   11.146  234.716   10.383 -14.29939 15.23317 
1 1 1   18   24    2 f  333.234   9.6577  302.214   17.390   0.0000   0.0000  302.214   17.390  ?   ?   333.234   9.6577      ?      ? 
1 1 1   18   24    3 o  170.473   8.7075   79.469   8.0210   78.838   11.345   80.099   11.342  169.788   12.365  171.157   12.263 -1.369019 17.41507 
1 1 1   18   24    4 o  302.433   6.9965  249.108   11.433  248.228   16.244  249.973   16.095  301.888   9.9579  302.978   9.8308 -1.090088 13.99299 
1 1 1   18   24    5 o  219.152   7.4643  130.636   8.8263  121.632   12.160  140.662   12.831  211.172   10.657  227.132   10.455 -15.95979 14.92855 
1 1 1   18   24    6 o  191.611   8.1102  100.211   8.3861  107.750   12.062   93.158   11.667  198.622   11.239  184.601   11.696 14.02098 16.22043 
1 1 1   18   24    7 o  112.177   11.705   35.077   6.6376   23.114   8.9148   49.960   9.9432   89.481   19.023  134.873   13.643 -45.39252 23.40960 
1 1 1   18   24    8 o  220.196   7.3011  130.876   8.4924  138.784   13.691  125.930   10.827  225.349   11.243  215.043   9.3177 10.30592 14.60211 
1 1 1   18   24    9 o  132.379   9.2892   48.761   6.2914   45.991   10.616   50.261   7.8106  129.083   15.220  135.675   10.654 -6.592361 18.57847 
1 1 1   18   24   10 o   58.757   19.003   9.4342   6.8808   0.0000   0.0000   9.4342   6.8808  ?   ?    58.757   19.003      ?      ? 
1 1 1   18   24   11 o  349.366   8.6278  332.152   16.288   0.0000   0.0000  332.152   16.288  ?   ?   349.366   8.6278      ?      ? 
1 1 1   18   24   12 o  197.491   8.7561  106.179   9.3443   0.0000   0.0000  106.179   9.3443  ?   ?   197.491   8.7561      ?      ? 
1 1 1   18   24   13 o  103.179   12.773   29.241   7.1213   0.0000   0.0000   29.241   7.1213  ?   ?   103.179   12.773      ?      ? 
1 1 1   18   24   14 o  120.566   11.207   39.794   7.3014   0.0000   0.0000   39.794   7.3014  ?   ?   120.566   11.207      ?      ? 
1 1 1   18   24   15 o  159.456   9.0445   69.319   7.7932   0.0000   0.0000   69.319   7.7932  ?   ?   159.456   9.0445      ?      ? 
1 1 1   18   24   16 o   90.119   13.850   22.440   6.7447   0.0000   0.0000   22.440   6.7447  ?   ?    90.119   13.850      ?      ? 
1 1 1   18   24   17 f  139.025   9.6531   52.839   7.2519   0.0000   0.0000   52.839   7.2519  ?   ?   139.025   9.6531      ?      ? 
1 1 1   18   24   18 o   49.293   18.476   5.3697   6.6504   0.0000   0.0000   5.3697   6.6504  ?   ?    49.293   18.476      ?      ? 
1 1 1   18   24   19 o  144.935   9.4265   57.452   7.3826   0.0000   0.0000   57.452   7.3826  ?   ?   144.935   9.4265      ?      ? 
1 1 1   18   24   20 o  207.264   7.4373  116.984   8.3297   0.0000   0.0000  116.984   8.3297  ?   ?   207.264   7.4373      ?      ? 
1 1 1   18   24   21 o  118.151   10.633   38.351   6.7889   0.0000   0.0000   38.351   6.7889  ?   ?   118.151   10.633      ?      ? 
1 1 1   18   24   22 o  124.428   11.083   42.643   7.4517   0.0000   0.0000   42.643   7.4517  ?   ?   124.428   11.083      ?      ? 
1 1 1   18   24   23 o   63.216   17.815   11.719   6.3464   0.0000   0.0000   11.719   6.3464  ?   ?    63.216   17.815      ?      ? 
1 1 1   18   24   24 o  195.059   7.4653  103.848   7.8686   0.0000   0.0000  103.848   7.8686  ?   ?   195.059   7.4653      ?      ? 
1 1 1   18   24   25 o  118.538   10.649   38.775   6.8213   0.0000   0.0000   38.775   6.8213  ?   ?   118.538   10.649      ?      ? 
1 1 1   18   24   26 o  203.300   8.6576  113.337   9.5109   0.0000   0.0000  113.337   9.5109  ?   ?   203.300   8.6576      ?      ? 
1 1 1   18   24   27 o  108.262   10.987   32.494   6.4277   0.0000   0.0000   32.494   6.4277  ?   ?   108.262   10.987      ?      ? 
1 1 1   18   24   28 o  138.185   10.894   52.956   8.1349   0.0000   0.0000   52.956   8.1349  ?   ?   138.185   10.894      ?      ? 
1 1 1   18   24   29 o  263.633   8.3807  190.813   11.939   0.0000   0.0000  190.813   11.939  ?   ?   263.633   8.3807      ?      ? 
1 1 1   18   24   30 o   67.295   17.240   13.610   6.2971   0.0000   0.0000   13.610   6.2971  ?   ?    67.295   17.240      ?      ? 
1 1 1   18   24   31 o  187.927   13.183   99.784   13.387   0.0000   0.0000   99.784   13.387  ?   ?   187.927   13.183      ?      ? 
1 1 1   18   24   32 o  140.886   9.0006   54.839   6.8522   0.0000   0.0000   54.839   6.8522  ?   ?   140.886   9.0006      ?      ? 
1 1 1   18   24   33 o  213.371   8.5337  125.660   9.8392   0.0000   0.0000  125.660   9.8392  ?   ?   213.371   8.5337      ?      ? 
1 1 1   18   24   34 o   99.817   12.425   30.371   5.4848   28.536   11.168   30.954   6.2964   94.500   22.241  105.133   11.083 -10.63303 24.84939 
1 1 1   18   24   35 o   68.476   14.958   9.4807   5.3712   27.162   12.118   5.1573   5.9920   90.623   24.263   46.330   17.501 44.29255 29.91613 
1 1 1   18   24   36 o  114.016   12.855   42.857   5.7309   33.806   12.856   45.101   6.4022  100.723   23.967  127.309   9.3065 -26.58559 25.71068 
1 1 1   18   24   37 o   56.715   15.834   8.0410   7.0375   7.9527   11.386   8.0955   8.9522   57.981   23.449   55.449   21.284 2.532501 31.66828 
1 1 1   18   24   38 o   70.536   14.776   16.306   6.4495   9.2574   9.2411   23.000   9.0053   56.926   21.679   84.146   20.084 -27.22059 29.55214 
1 1 1   18   24   39 o   73.828   15.501   18.693   6.7551   15.082   9.9022   21.836   9.2385   66.837   22.830   80.819   20.973 -13.98238 31.00137 
1 1 1   18   24   40 o  235.314   9.6996  155.429   12.334   0.0000   0.0000  155.429   12.334  ?   ?   235.314   9.6996      ?      ? 
1 1 1   18   24   41 o   65.869   14.736   13.801   6.7699   3.1477   10.172   22.272   9.0704   49.369   21.205   82.369   20.468 -33.00021 29.47198 
1 1 1   18   24   42 o  186.890   8.0517  103.337   7.9685   84.894   11.597  119.834   10.968  169.197   12.684  204.584   9.9210 -35.38712 16.10332 
1 1 1   18   24   43 o   47.370   14.138   4.4798   6.2391   7.3469   9.1381   1.9763   8.5391   51.328   20.916   43.412   19.027 7.915646 28.27546 
1 1 1   18   24   44 o   49.816   14.432   5.6279   6.2287   10.475   9.5696   2.0648   8.2045   56.554   21.925   43.078   18.772 13.47605 28.86330 
1 1 1   18   24   45 o   92.209   13.390   29.623   6.4848   27.389   9.8715   31.319   8.6009   85.858   21.363   98.559   16.150 -12.70115 26.78063 
1 1 1   18   25    0 o  158.733   9.1158   69.116   7.8088   64.351   10.889   74.160   11.204  153.051   13.167  164.415   12.611 -11.36377 18.23169 
1 1 1   18   25    1 o  194.926   8.0823  104.029   8.5070   99.994   12.072  108.008   11.990  191.114   11.689  198.739   11.165 -7.625427 16.16459 
1 1 1   18   25    2 o  108.012   12.849   33.735   7.1379   41.888   9.9727   25.171   10.221  123.169   14.984   92.855   20.877 30.31372 25.69762 
1 1 1   18   25    3 o   77.344   15.579   17.347   6.8791   20.198   9.7669   14.541   9.6907   83.046   21.571   71.642   22.483 11.40412 31.15759 
1 1 1   18   25    4 o  108.040   11.971   32.366   6.9680   31.552   9.4495   33.337   10.316  106.646   16.398  109.434   17.445 -2.788307 23.94164 
1 1 1   18   25    5 o  178.065   12.072   86.926   11.615   0.0000   0.0000   86.926   11.615  ?   ?   178.065   12.072      ?      ? 
1 1 1   18   25    6 o  203.140   11.062  112.889   12.143   0.0000   0.0000  112.889   12.143  ?   ?   203.140   11.062      ?      ? 
1 1 1   18   25    7 o  135.409   9.5235   50.150   6.7676   51.847   11.040   49.128   8.5655  136.948   14.919  133.871   11.841 3.076431 19.04692 
1 1 1   18   25    8 o  148.639   8.2932   59.292   6.4732   65.901   10.700   55.477   8.1297  154.829   12.789  142.448   10.562 12.38187 16.58646 
1 1 1   18   25    9 o  472.173   9.7306  608.670   24.827   0.0000   0.0000  608.670   24.827  ?   ?   472.173   9.7306      ?      ? 
1 1 1   18   25   10 o  166.324   9.2333   75.477   8.2985   0.0000   0.0000   75.477   8.2985  ?   ?   166.324   9.2333      ?      ? 
1 1 1   18   25   11 o  182.885   8.3542   91.134   8.2560   0.0000   0.0000   91.134   8.2560  ?   ?   182.885   8.3542      ?      ? 
1 1 1   18   25   12 o  108.516   11.882   32.389   6.9677   0.0000   0.0000   32.389   6.9677  ?   ?   108.516   11.882      ?      ? 
1 1 1   18   25   13 o   83.199   16.209   19.955   7.0254   0.0000   0.0000   19.955   7.0254  ?   ?    83.199   16.209      ?      ? 
1 1 1   18   25   14 o   74.013   16.921   15.949   6.6200   0.0000   0.0000   15.949   6.6200  ?   ?    74.013   16.921      ?      ? 
1 1 1   18   25   15 o   36.282   16.357  -3.0469   6.7783   0.0000   0.0000  -3.0469   6.7783  ?   ?    36.282   16.357      ?      ? 
1 1 1   18   25   16 o  239.452   8.5036  156.526   11.003   0.0000   0.0000  156.526   11.003  ?   ?   239.452   8.5036      ?      ? 
1 1 1   18   25   17 o   92.224   13.966   23.646   6.9600   0.0000   0.0000   23.646   6.9600  ?   ?    92.224   13.966      ?      ? 
1 1 1   18   25   18 o   46.306   18.011   4.1171   6.4742   0.0000   0.0000   4.1171   6.4742  ?   ?    46.306   18.011      ?      ? 
1 1 1   18   25   19 o  153.069   9.0776   64.175   7.5083   0.0000   0.0000   64.175   7.5083  ?   ?   153.069   9.0776      ?      ? 
1 1 1   18   25   20 o   59.710   17.973   10.349   6.2739   0.0000   0.0000   10.349   6.2739  ?   ?    59.710   17.973      ?      ? 
1 1 1   18   25   21 o  159.390   8.5181   69.564   7.3365   0.0000   0.0000   69.564   7.3365  ?   ?   159.390   8.5181      ?      ? 
1 1 1   18   25   22 o   86.106   13.878   20.767   6.4574   0.0000   0.0000   20.767   6.4574  ?   ?    86.106   13.878      ?      ? 
1 1 1   18   25   23 o   34.842   15.575  -2.0142   6.0037   0.0000   0.0000  -2.0142   6.0037  ?   ?    34.842   15.575      ?      ? 
1 1 1   18   25   24 o  132.424   9.6859   48.343   6.9310   0.0000   0.0000   48.343   6.9310  ?   ?   132.424   9.6859      ?      ? 
1 1 1   18   25   25 o  112.125   11.173   34.912   6.7696   0.0000   0.0000   34.912   6.7696  ?   ?   112.125   11.173      ?      ? 
1 1 1   18   25   26 o  115.590   10.737   37.048   6.7065   0.0000   0.0000   37.048   6.7065  ?   ?   115.590   10.737      ?      ? 
1 1 1   18   25   27 o  127.861   9.8297   45.207   6.7915   0.0000   0.0000   45.207   6.7915  ?   ?   127.861   9.8297      ?      ? 
1 1 1   18   25   28 o  106.085   12.921   31.719   7.4070   0.0000   0.0000   31.719   7.4070  ?   ?   106.085   12.921      ?      ? 
1 1 1   18   25   29 o   58.126   19.192   9.9021   7.0027   0.0000   0.0000   9.9021   7.0027  ?   ?    58.126   19.192      ?      ? 
1 1 1   18   25   30 o  153.275   8.4896   64.796   7.0315   0.0000   0.0000   64.796   7.0315  ?   ?   153.275   8.4896      ?      ? 
1 1 1   18   25   31 o  100.548   12.165   28.524   6.6093   0.0000   0.0000   28.524   6.6093  ?   ?   100.548   12.165      ?      ? 
1 1 1   18   25   32 o  117.196   10.504   38.329   6.6522   0.0000   0.0000   38.329   6.6522  ?   ?   117.196   10.504      ?      ? 
1 1 1   18   25   33 f  185.094   7.7154   94.345   7.7169   0.0000   0.0000   94.345   7.7169  ?   ?   185.094   7.7154      ?      ? 
1 1 1   18   25   34 o  125.556   9.9252   44.062   6.7338   0.0000   0.0000   44.062   6.7338  ?   ?   125.556   9.9252      ?      ? 
1 1 1   18   25   35 o  108.365   11.234   32.540   5.8715   39.505   11.588   30.134   6.8104  113.866   18.834  102.865   12.252 11.00099 22.46822 
1 1 1   18   25   36 o  108.327   11.325   31.515   5.9249   44.077   11.974   27.443   6.8181  119.284   18.576   97.371   12.958 21.91337 22.64933 
1 1 1   18   25   37 o  158.008   9.2248   69.292   6.6685   78.964   14.045   66.477   7.5770  161.961   16.048  154.055   9.1020 7.906326 18.44951 
1 1 1   18   25   38 o   46.076   14.447  -2.3834   7.8505 -16.3784   12.753   6.1554   9.9615   39.130   19.022   53.021   21.748 -13.89144 28.89301 
1 1 1   18   25   39 o  114.249   12.768   40.930   7.5180   32.953   10.801   48.428   10.471  100.679   20.549  127.819   15.160 -27.14005 25.53585 
1 1 1   18   25   40 o  160.868   12.256   76.176   10.654   0.0000   0.0000   76.176   10.654  ?   ?   160.868   12.256      ?      ? 
1 1 1   18   25   41 o   50.513   14.749   6.6263   6.6367   3.6664   9.5839   9.3534   9.1993   46.829   20.348   54.197   21.355 -7.367855 29.49703 
1 1 1   18   25   42 o   76.766   14.724   21.562   6.8823   11.447   10.207   29.993   9.3191   58.501   22.654   95.031   18.814 -36.52967 29.44745 
1 1 1   18   25   43 o   39.810   12.869  -1.6525   6.3401  -6.3159   9.2135   2.5419   8.7379   36.117   17.192   43.504   19.153 -7.387455 25.73739 
1 1 1   18   26    1 f   79.582   15.518   18.699   6.9451   21.721   9.8289   15.685   9.8148   85.659   21.319   73.505   22.555 12.15390 31.03604 
1 1 1   18   26    2 o  113.068   12.071   36.068   7.1555   30.420   9.7994   42.520   10.473  102.588   18.351  123.548   15.687 -20.95992 24.14231 
1 1 1   18   26    3 o   74.698   13.813   15.074   6.9284   29.881   9.6594  -0.6159   9.9432  101.656   18.256   47.740   20.735 53.91600 27.62597 
1 1 1   18   26    4 o  104.678   13.365   32.650   7.1714   42.871   9.9497   21.598   10.346  124.205   14.825   85.152   22.242 39.05353 26.72924 
1 1 1   18   26    5 o  232.677   7.2740  148.123   9.1376  143.833   12.604  152.875   13.267  229.165   10.178  236.189   10.395 -7.024384 14.54805 
1 1 1   18   26    6 o  143.068   9.1766   56.744   6.5781   56.014   11.689   57.083   7.9578  141.788   15.256  144.348   10.202 -2.560379 18.35328 
1 1 1   18   26    7 o  402.029   7.7705  437.493   15.915  463.063   27.898  425.157   19.377  409.585   12.605  394.472   9.0906 15.11282 15.54093 
1 1 1   18   26    8 o  103.736   11.600   31.229   6.0605   27.973   9.7838   33.256   7.7200   97.806   19.198  109.667   13.027 -11.86063 23.20030 
1 1 1   18   26    9 o  132.732   11.191   48.437   8.0268   0.0000   0.0000   48.437   8.0268  ?   ?   132.732   11.191      ?      ? 
1 1 1   18   26   10 o  145.818   9.4986   58.190   7.4844   0.0000   0.0000   58.190   7.4844  ?   ?   145.818   9.4986      ?      ? 
1 1 1   18   26   11 o  183.564   8.5195   92.006   8.4507   0.0000   0.0000   92.006   8.4507  ?   ?   183.564   8.5195      ?      ? 
1 1 1   18   26   12 o  102.081   12.781   28.845   7.0500   0.0000   0.0000   28.845   7.0500  ?   ?   102.081   12.781      ?      ? 
1 1 1   18   26   13 o   28.075   13.725 -12.6259   6.9110   0.0000   0.0000 -12.6259   6.9110  ?   ?    28.075   13.725      ?      ? 
1 1 1   18   26   14 o  192.956   7.9626  101.640   8.3024   0.0000   0.0000  101.640   8.3024  ?   ?   192.956   7.9626      ?      ? 
1 1 1   18   26   15 f   76.135   17.317   17.069   6.9634   0.0000   0.0000   17.069   6.9634  ?   ?    76.135   17.317      ?      ? 
1 1 1   18   26   16 o  171.747   8.5824   80.761   7.9650   0.0000   0.0000   80.761   7.9650  ?   ?   171.747   8.5824      ?      ? 
1 1 1   18   26   17 o   54.619   18.686   8.1056   6.6333   0.0000   0.0000   8.1056   6.6333  ?   ?    54.619   18.686      ?      ? 
1 1 1   18   26   18 o  117.114   11.121   37.929   7.0377   0.0000   0.0000   37.929   7.0377  ?   ?   117.114   11.121      ?      ? 
1 1 1   18   26   19 o  108.563   11.710   32.713   6.8696   0.0000   0.0000   32.713   6.8696  ?   ?   108.563   11.710      ?      ? 
1 1 1   18   26   20 o   41.762   17.209   2.0828   6.2733   0.0000   0.0000   2.0828   6.2733  ?   ?    41.762   17.209      ?      ? 
1 1 1   18   26   21 o   89.057   13.390   22.278   6.4440   0.0000   0.0000   22.278   6.4440  ?   ?    89.057   13.390      ?      ? 
1 1 1   18   26   22 o   24.175   12.012 -14.3303   6.0745   0.0000   0.0000 -14.3303   6.0745  ?   ?    24.175   12.012      ?      ? 
1 1 1   18   26   23 o  143.981   9.1750   57.100   7.1384   0.0000   0.0000   57.100   7.1384  ?   ?   143.981   9.1750      ?      ? 
1 1 1   18   26   24 o   64.418   17.877   12.482   6.4426   0.0000   0.0000   12.482   6.4426  ?   ?    64.418   17.877      ?      ? 
1 1 1   18   26   25 o   89.923   13.645   22.903   6.6303   0.0000   0.0000   22.903   6.6303  ?   ?    89.923   13.645      ?      ? 
1 1 1   18   26   26 o  157.945   8.4821   68.719   7.2393   0.0000   0.0000   68.719   7.2393  ?   ?   157.945   8.4821      ?      ? 
1 1 1   18   26   27 o  152.768   8.9085   64.488   7.3540   0.0000   0.0000   64.488   7.3540  ?   ?   152.768   8.9085      ?      ? 
1 1 1   18   26   28 o   81.005   15.274   19.460   6.4405   0.0000   0.0000   19.460   6.4405  ?   ?    81.005   15.274      ?      ? 
1 1 1   18   26   29 o   74.554   18.643   17.152   7.4907   0.0000   0.0000   17.152   7.4907  ?   ?    74.554   18.643      ?      ? 
1 1 1   18   26   30 o  223.934   7.5266  137.860   9.1076   0.0000   0.0000  137.860   9.1076  ?   ?   223.934   7.5266      ?      ? 
1 1 1   18   26   31 o  180.812   7.9843   90.256   7.8010   0.0000   0.0000   90.256   7.8010  ?   ?   180.812   7.9843      ?      ? 
1 1 1   18   26   32 o  194.459   7.4909  104.183   7.8713   0.0000   0.0000  104.183   7.8713  ?   ?   194.459   7.4909      ?      ? 
1 1 1   18   26   33 o  135.136   9.6803   51.095   7.0688   0.0000   0.0000   51.095   7.0688  ?   ?   135.136   9.6803      ?      ? 
1 1 1   18   26   34 o  129.163   9.8529   47.018   6.8769   0.0000   0.0000   47.018   6.8769  ?   ?   129.163   9.8529      ?      ? 
1 1 1   18   26   35 o   83.656   15.269   21.267   6.6482   0.0000   0.0000   21.267   6.6482  ?   ?    83.656   15.269      ?      ? 
1 1 1   18   26   36 o  110.024   12.732   33.172   6.3727   46.667   13.502   29.305   7.2284  119.475   21.714  100.573   13.301 18.90208 25.46365 
1 1 1   18   26   37 o   77.769   15.683   19.523   6.2911   22.928   12.603   18.392   7.2603   79.489   25.719   76.050   17.955 3.438919 31.36640 
1 1 1   18   26   38 o   80.562   13.576   27.276   6.2256   9.0225   13.094   32.607   7.0766   56.268   24.110  104.855   12.490 -48.58653 27.15301 
1 1 1   18   26   39 o  184.971   9.0833  100.144   8.8453  110.068   14.444   94.190   11.188  190.512   14.031  179.431   11.539 11.08046 18.16667 
1 1 1   18   26   40 f  107.449   12.439   37.245   7.0073   33.377   9.9874   40.995   9.8340   99.958   19.188  114.940   15.833 -14.98267 24.87721 
1 1 1   18   26   41 o   57.215   15.356   11.798   6.6089   9.2838   9.2771   14.389   9.4174   53.037   21.266   61.393   22.159 -8.356350 30.71266 
1 1 1   18   27    0 o   79.363   19.888   18.677   10.313  -2.3716   25.482   22.800   11.278   71.873   32.112   86.853   23.472 -14.98033 39.77520 
1 1 1   18   27    1 o  114.208   13.121   37.049   7.6184   24.066   10.153   53.777   11.525   89.753   21.261  138.662   15.381 -48.90849 26.24158 
1 1 1   18   27    2 o   86.521   14.875   21.310   7.1262   12.540   9.3950   33.191   10.935   66.720   22.239  106.322   19.761 -39.60128 29.75042 
1 1 1   18   27    3 o  176.928   8.5939   86.489   8.2088   86.895   11.386   86.050   11.845  177.448   11.875  176.408   12.426 1.040314 17.18786 
1 1 1   18   27    4 o   80.449   15.490   19.422   6.9024   19.691   9.3688   19.102   10.208   81.129   21.153   79.770   22.633 1.359047 30.97919 
1 1 1   18   27    5 o  112.735   11.354   35.661   6.9057   34.611   9.4559   36.862   10.109  111.040   15.759  114.430   16.349 -3.389870 22.70752 
1 1 1   18   27    6 o  141.219   9.1325   58.183   6.4917   46.059   10.668   65.314   8.1810  128.146   15.405  154.292   9.8124 -26.14604 18.26493 
1 1 1   18   27    7 o   63.459   14.460   7.3840   6.2608   21.874   10.424  -0.7927   7.8304   84.971   22.389   41.947   18.307 43.02437 28.92058 
1 1 1   18   27    8 f  128.852   10.812   45.755   7.5280   0.0000   0.0000   45.755   7.5280  ?   ?   128.852   10.812      ?      ? 
1 1 1   18   27    9 f   81.868   16.850   19.628   7.2056   0.0000   0.0000   19.628   7.2056  ?   ?    81.868   16.850      ?      ? 
1 1 1   18   27   10 o  127.726   11.442   45.125   7.8971   0.0000   0.0000   45.125   7.8971  ?   ?   127.726   11.442      ?      ? 
1 1 1   18   27   11 o   61.997   19.114   11.193   7.0388   0.0000   0.0000   11.193   7.0388  ?   ?    61.997   19.114      ?      ? 
1 1 1   18   27   12 o   63.510   19.026   11.851   7.0427   0.0000   0.0000   11.851   7.0427  ?   ?    63.510   19.026      ?      ? 
1 1 1   18   27   13 o   82.230   16.883   19.874   7.2505   0.0000   0.0000   19.874   7.2505  ?   ?    82.230   16.883      ?      ? 
1 1 1   18   27   14 o   90.977   14.531   23.298   7.1434   0.0000   0.0000   23.298   7.1434  ?   ?    90.977   14.531      ?      ? 
1 1 1   18   27   15 o  102.171   12.443   29.115   6.8699   0.0000   0.0000   29.115   6.8699  ?   ?   102.171   12.443      ?      ? 
1 1 1   18   27   16 o  103.760   12.169   30.026   6.8227   0.0000   0.0000   30.026   6.8227  ?   ?   103.760   12.169      ?      ? 
1 1 1   18   27   17 o   92.068   13.913   23.888   6.9217   0.0000   0.0000   23.888   6.9217  ?   ?    92.068   13.913      ?      ? 
1 1 1   18   27   18 o   75.424   17.320   16.981   6.9102   0.0000   0.0000   16.981   6.9102  ?   ?    75.424   17.320      ?      ? 
1 1 1   18   27   19 f  146.330   9.2053   58.983   7.2788   0.0000   0.0000   58.983   7.2788  ?   ?   146.330   9.2053      ?      ? 
1 1 1   18   27   20 o   97.673   12.827   26.804   6.7698   0.0000   0.0000   26.804   6.7698  ?   ?    97.673   12.827      ?      ? 
1 1 1   18   27   21 o  181.238   8.5701   90.408   8.3932   0.0000   0.0000   90.408   8.3932  ?   ?   181.238   8.5701      ?      ? 
1 1 1   18   27   22 o   57.887   18.344   9.8982   6.4369   0.0000   0.0000   9.8982   6.4369  ?   ?    57.887   18.344      ?      ? 
1 1 1   18   27   23 o  184.313   10.818   94.762   10.774   0.0000   0.0000   94.762   10.774  ?   ?   184.313   10.818      ?      ? 
1 1 1   18   27   24 o  141.147   9.6324   55.281   7.3468   0.0000   0.0000   55.281   7.3468  ?   ?   141.147   9.6324      ?      ? 
1 1 1   18   27   25 o   47.168   18.005   5.1983   6.3836   0.0000   0.0000   5.1983   6.3836  ?   ?    47.168   18.005      ?      ? 
1 1 1   18   27   26 o   42.849   17.416   2.9614   6.3155   0.0000   0.0000   2.9614   6.3155  ?   ?    42.849   17.416      ?      ? 
1 1 1   18   27   27 o  202.779   7.5560  113.055   8.2795   0.0000   0.0000  113.055   8.2795  ?   ?   202.779   7.5560      ?      ? 
1 1 1   18   27   28 o  114.129   11.431   36.753   7.0496   0.0000   0.0000   36.753   7.0496  ?   ?   114.129   11.431      ?      ? 
1 1 1   18   27   29 o   64.387   18.393   12.929   6.7177   0.0000   0.0000   12.929   6.7177  ?   ?    64.387   18.393      ?      ? 
1 1 1   18   27   30 o  157.721   10.557   69.951   8.9974   0.0000   0.0000   69.951   8.9974  ?   ?   157.721   10.557      ?      ? 
1 1 1   18   27   31 o   41.800   17.459   2.4874   6.5806   0.0000   0.0000   2.4874   6.5806  ?   ?    41.800   17.459      ?      ? 
1 1 1   18   27   32 o  126.136   10.352   45.045   7.0559   0.0000   0.0000   45.045   7.0559  ?   ?   126.136   10.352      ?      ? 
1 1 1   18   27   33 o   64.854   19.044   13.495   7.1126   0.0000   0.0000   13.495   7.1126  ?   ?    64.854   19.044      ?      ? 
1 1 1   18   27   34 o  133.611   10.610   50.449   7.6603   0.0000   0.0000   50.449   7.6603  ?   ?   133.611   10.610      ?      ? 
1 1 1   18   27   35 f   42.940   17.731   3.3069   6.6781   0.0000   0.0000   3.3069   6.6781  ?   ?    42.940   17.731      ?      ? 
1 1 1   18   27   36 o   64.278   17.800   14.035   6.3944   0.0000   0.0000   14.035   6.3944  ?   ?    64.278   17.800      ?      ? 
1 1 1   18   27   37 o   43.293   13.283   2.0745   5.8534  -8.4775   11.782   5.5324   6.7446   40.434   19.301   46.153   18.254 -5.719360 26.56506 
1 1 1   18   27   38 o   75.982   14.911   20.144   5.8768   21.860   11.547   19.544   6.8273   74.461   24.647   77.503   16.788 -3.042137 29.82101 
1 1 1   18   27   39 o   51.387   14.504   8.2273   5.5389   8.3964   11.537   8.1767   6.3142   52.918   22.652   49.857   18.122 3.061550 29.00882 
1 1 1   18   28    0 o  100.499   19.393   33.800   9.8253   36.128   10.795   22.568   23.717  112.372   17.778   88.626   34.472 23.74598 38.78672 
1 1 1   18   28    1 o  160.001   22.423   83.158   18.635   90.653   27.866   77.095   25.064  166.225   32.186  153.778   31.229 12.44760 44.84610 
1 1 1   18   28    2 o  111.336   25.224   41.728   17.006   51.126   26.565   35.203   22.137  120.224   37.143  102.449   34.137 17.77503 50.44754 
1 1 1   18   28    3 o   99.909   22.029   17.810   16.790   69.550   26.622 -16.3626   21.635  142.614   34.843   57.204   26.965 85.40990 44.05820 
1 1 1   18   28    4 o  112.611   23.514   37.472   17.900   76.261   27.047   7.2432   23.877  150.137   34.114   75.086   32.371 75.05043 47.02823 
1 1 1   18   28    5 o  226.843   8.9918  141.202   11.022   0.0000   0.0000  141.202   11.022  ?   ?   226.843   8.9918      ?      ? 
1 1 1   18   28    6 o   79.066   14.138   19.853   6.0772   13.842   10.086   23.279   7.6147   68.844   23.044   89.289   16.386 -20.44466 28.27573 
1 1 1   18   28    7 o   84.474   17.938   21.192   7.9349   0.0000   0.0000   21.192   7.9349  ?   ?    84.474   17.938      ?      ? 
1 1 1   18   28    8 o   59.353   19.512   10.083   7.2409   0.0000   0.0000   10.083   7.2409  ?   ?    59.353   19.512      ?      ? 
1 1 1   18   28    9 o   53.671   19.431   7.4207   7.2494   0.0000   0.0000   7.4207   7.2494  ?   ?    53.671   19.431      ?      ? 
1 1 1   18   28   10 o   50.274   19.131   5.7434   7.1929   0.0000   0.0000   5.7434   7.1929  ?   ?    50.274   19.131      ?      ? 
1 1 1   18   28   11 o   52.928   19.275   7.1575   7.1484   0.0000   0.0000   7.1575   7.1484  ?   ?    52.928   19.275      ?      ? 
1 1 1   18   28   12 o  169.507   8.9811   79.028   8.2263   0.0000   0.0000   79.028   8.2263  ?   ?   169.507   8.9811      ?      ? 
1 1 1   18   28   13 o   29.473   14.246 -10.2379   6.8927   0.0000   0.0000 -10.2379   6.8927  ?   ?    29.473   14.246      ?      ? 
1 1 1   18   28   14 o   55.671   19.130   8.6228   6.9548   0.0000   0.0000   8.6228   6.9548  ?   ?    55.671   19.130      ?      ? 
1 1 1   18   28   15 o   78.675   16.908   18.453   6.9743   0.0000   0.0000   18.453   6.9743  ?   ?    78.675   16.908      ?      ? 
1 1 1   18   28   16 o  154.445   9.1884   65.809   7.6683   0.0000   0.0000   65.809   7.6683  ?   ?   154.445   9.1884      ?      ? 
1 1 1   18   28   17 o  116.426   11.556   37.894   7.2700   0.0000   0.0000   37.894   7.2700  ?   ?   116.426   11.556      ?      ? 
1 1 1   18   28   18 o   30.421   14.476  -7.4296   6.5224   0.0000   0.0000  -7.4296   6.5224  ?   ?    30.421   14.476      ?      ? 
1 1 1   18   28   19 o   50.570   18.753   6.4746   6.8152   0.0000   0.0000   6.4746   6.8152  ?   ?    50.570   18.753      ?      ? 
1 1 1   18   28   20 o  114.487   11.687   36.817   7.2300   0.0000   0.0000   36.817   7.2300  ?   ?   114.487   11.687      ?      ? 
1 1 1   18   28   21 o  155.689   9.2199   67.151   7.7566   0.0000   0.0000   67.151   7.7566  ?   ?   155.689   9.2199      ?      ? 
1 1 1   18   28   22 o  137.031   9.7851   52.181   7.2456   0.0000   0.0000   52.181   7.2456  ?   ?   137.031   9.7851      ?      ? 
1 1 1   18   28   23 o   31.406   14.759  -5.7913   6.3924   0.0000   0.0000  -5.7913   6.3924  ?   ?    31.406   14.759      ?      ? 
1 1 1   18   28   24 o   80.003   15.965   19.228   6.6598   0.0000   0.0000   19.228   6.6598  ?   ?    80.003   15.965      ?      ? 
1 1 1   18   28   25 o   51.082   18.670   7.0738   6.7153   0.0000   0.0000   7.0738   6.7153  ?   ?    51.082   18.670      ?      ? 
1 1 1   18   28   26 o  194.068   11.053  106.127   11.591   0.0000   0.0000  106.127   11.591  ?   ?   194.068   11.053      ?      ? 
1 1 1   18   28   27 o   37.927   16.802  -0.8532   6.8277   0.0000   0.0000  -0.8532   6.8277  ?   ?    37.927   16.802      ?      ? 
1 1 1   18   28   28 o  105.043   12.840   31.907   7.2881   0.0000   0.0000   31.907   7.2881  ?   ?   105.043   12.840      ?      ? 
1 1 1   18   28   29 o  211.665   8.3644  124.848   9.5669   0.0000   0.0000  124.848   9.5669  ?   ?   211.665   8.3644      ?      ? 
1 1 1   18   28   30 o   25.717   12.907 -20.8331   7.8326   0.0000   0.0000 -20.8331   7.8326  ?   ?    25.717   12.907      ?      ? 
1 1 1   18   28   32 o  108.170   12.782   33.910   7.4712   0.0000   0.0000   33.910   7.4712  ?   ?   108.170   12.782      ?      ? 
1 1 1   18   28   33 o   70.525   22.593   18.487   9.7440   0.0000   0.0000   18.487   9.7440  ?   ?    70.525   22.593      ?      ? 
1 1 1   18   28   34 o  139.117   9.9219   55.654   7.4587   0.0000   0.0000   55.654   7.4587  ?   ?   139.117   9.9219      ?      ? 
1 1 1   18   28   35 o   38.722   16.862   1.0030   6.6100   0.0000   0.0000   1.0030   6.6100  ?   ?    38.722   16.862      ?      ? 
1 1 1   18   28   36 f  130.983   10.361   49.754   7.3332   0.0000   0.0000   49.754   7.3332  ?   ?   130.983   10.361      ?      ? 
1 1 1   18   29    0 o  161.071   9.5194   72.834   8.2780   70.706   11.416   75.194   12.021  158.661   13.315  163.481   13.608 -4.820084 19.03876 
1 1 1   18   29    1 o   52.924   15.110   4.1236   6.7946   0.2028   9.1813   8.8707   10.103   46.007   19.953   59.842   22.696 -13.83561 30.22003 
1 1 1   18   29    2 o  137.373   10.308   52.624   7.5838   44.274   10.106   63.388   11.474  124.911   14.972  149.835   14.171 -24.92396 20.61566 
1 1 1   18   29    3 o   54.311   15.135   5.6466   6.8333   9.8674   8.8544  -0.5693   10.745   60.128   21.511   48.494   21.297 11.63374 30.27062 
1 1 1   18   29    4 o   86.644   15.222   23.231   7.1052   24.707   9.9515   21.696   10.148   89.725   20.912   83.563   22.125 6.162292 30.44386 
1 1 1   18   29    5 o   42.491   19.423  -4.8347   9.9698   0.0000   0.0000  -4.8347   9.9698  ?   ?    42.491   19.423      ?      ? 
1 1 1   18   29    6 o   78.039   23.063   18.997   10.402   0.0000   0.0000   18.997   10.402  ?   ?    78.039   23.063      ?      ? 
1 1 1   18   29    7 o   53.449   21.963   4.5708   10.183   0.0000   0.0000   4.5708   10.183  ?   ?    53.449   21.963      ?      ? 
1 1 1   18   29    8 o  135.557   15.406   52.500   11.285   0.0000   0.0000   52.500   11.285  ?   ?   135.557   15.406      ?      ? 
1 1 1   18   29    9 o  105.284   19.328   33.473   10.591   0.0000   0.0000   33.473   10.591  ?   ?   105.284   19.328      ?      ? 
1 1 1   18   29   10 o   46.248   19.253   2.6079   7.9660   0.0000   0.0000   2.6079   7.9660  ?   ?    46.248   19.253      ?      ? 
1 1 1   18   29   11 o   83.568   16.895   20.862   7.3672   0.0000   0.0000   20.862   7.3672  ?   ?    83.568   16.895      ?      ? 
1 1 1   18   29   12 o   66.361   18.798   13.420   7.0474   0.0000   0.0000   13.420   7.0474  ?   ?    66.361   18.798      ?      ? 
1 1 1   18   29   13 f   55.258   19.190   8.5954   7.0070   0.0000   0.0000   8.5954   7.0070  ?   ?    55.258   19.190      ?      ? 
1 1 1   18   29   14 o  103.377   13.510   30.354   7.5468   0.0000   0.0000   30.354   7.5468  ?   ?   103.377   13.510      ?      ? 
1 1 1   18   29   15 o   79.058   17.354   18.947   7.2105   0.0000   0.0000   18.947   7.2105  ?   ?    79.058   17.354      ?      ? 
1 1 1   18   29   16 o   79.909   17.110   19.329   7.1654   0.0000   0.0000   19.329   7.1654  ?   ?    79.909   17.110      ?      ? 
1 1 1   18   29   17 o   49.993   18.769   6.2363   6.8682   0.0000   0.0000   6.2363   6.8682  ?   ?    49.993   18.769      ?      ? 
1 1 1   18   29   18 o   40.607   17.353   0.9201   6.7510   0.0000   0.0000   0.9201   6.7510  ?   ?    40.607   17.353      ?      ? 
1 1 1   18   29   19 o  154.187   9.3553   65.936   7.7946   0.0000   0.0000   65.936   7.7946  ?   ?   154.187   9.3553      ?      ? 
1 1 1   18   29   20 o  108.946   12.222   33.615   7.1953   0.0000   0.0000   33.615   7.1953  ?   ?   108.946   12.222      ?      ? 
1 1 1   18   29   21 o   49.567   18.718   6.2259   6.8524   0.0000   0.0000   6.2259   6.8524  ?   ?    49.567   18.718      ?      ? 
1 1 1   18   29   22 o   31.537   14.898  -6.3605   6.6689   0.0000   0.0000  -6.3605   6.6689  ?   ?    31.537   14.898      ?      ? 
1 1 1   18   29   23 o   58.468   19.222   10.444   7.0275   0.0000   0.0000   10.444   7.0275  ?   ?    58.468   19.222      ?      ? 
1 1 1   18   29   24 f   73.636   18.123   17.118   7.1626   0.0000   0.0000   17.118   7.1626  ?   ?    73.636   18.123      ?      ? 
1 1 1   18   29   25 o  112.761   12.499   36.734   7.6162   0.0000   0.0000   36.734   7.6162  ?   ?   112.761   12.499      ?      ? 
1 1 1   18   29   26 o  136.368   10.722   52.791   7.9011   0.0000   0.0000   52.791   7.9011  ?   ?   136.368   10.722      ?      ? 
1 1 1   18   29   27 o   29.232   14.248 -11.3702   7.2867   0.0000   0.0000 -11.3702   7.2867  ?   ?    29.232   14.248      ?      ? 
1 1 1   18   29   28 o  273.688   9.5012  209.810   14.052   0.0000   0.0000  209.810   14.052  ?   ?   273.688   9.5012      ?      ? 
1 1 1   18   29   30 f   34.396   15.983  -3.6904   7.1586   0.0000   0.0000  -3.6904   7.1586  ?   ?    34.396   15.983      ?      ? 
1 1 1   18   29   31 o   66.971   21.339   16.540   8.7011   0.0000   0.0000   16.540   8.7011  ?   ?    66.971   21.339      ?      ? 
1 1 1   18   29   32 o  107.026   13.379   34.143   7.7373   0.0000   0.0000   34.143   7.7373  ?   ?   107.026   13.379      ?      ? 
1 1 1   18   29   33 o  112.644   11.990   37.443   7.2982   0.0000   0.0000   37.443   7.2982  ?   ?   112.644   11.990      ?      ? 
1 1 1   18   29   34 o   59.518   18.969   12.585   6.8751   0.0000   0.0000   12.585   6.8751  ?   ?    59.518   18.969      ?      ? 
1 1 1   18   30    0 f   95.508   14.540   28.257   7.2741   28.798   10.025   27.656   10.570   96.909   19.813   94.108   21.285 2.801033 29.07946 
1 1 1   18   30    1 f   72.739   15.374   16.427   7.1012   24.083   9.6787   7.4998   10.451   87.960   20.707   57.518   22.730 30.44180 30.74793 
1 1 1   18   30    2 o   96.471   14.387   29.326   7.4034   37.290   10.154   20.288   10.817  113.338   16.580   79.604   23.517 33.73317 28.77413 
1 1 1   18   30    3 o   64.017   14.624   10.199   5.8734   20.142   9.9315   4.8514   7.2836   79.704   22.224   48.330   19.015 31.37428 29.24837 
1 1 1   18   30    4 o  154.816   8.7078   66.571   7.0742   71.239   11.617   63.820   8.9187  158.404   13.571  151.227   10.914 7.177109 17.41552 
1 1 1   18   30    5 o   84.051   14.116   22.176   6.2085   20.466   10.058   23.228   7.8914   80.170   22.368   87.933   17.224 -7.763481 28.23152 
1 1 1   18   30    6 o   47.029   18.894   4.0817   7.3392   0.0000   0.0000   4.0817   7.3392  ?   ?    47.029   18.894      ?      ? 
1 1 1   18   30    7 o  123.857   12.094   43.193   8.0945   0.0000   0.0000   43.193   8.0945  ?   ?   123.857   12.094      ?      ? 
1 1 1   18   30    8 o   47.900   18.969   4.6937   7.2919   0.0000   0.0000   4.6937   7.2919  ?   ?    47.900   18.969      ?      ? 
1 1 1   18   30    9 o  139.699   11.310   54.731   8.5381   0.0000   0.0000   54.731   8.5381  ?   ?   139.699   11.310      ?      ? 
1 1 1   18   30   11 o  118.220   19.616   42.102   12.531   0.0000   0.0000   42.102   12.531  ?   ?   118.220   19.616      ?      ? 
1 1 1   18   30   12 o   43.207   20.060  -6.6476   11.238   0.0000   0.0000  -6.6476   11.238  ?   ?    43.207   20.060      ?      ? 
1 1 1   18   30   13 o   99.599   22.865   31.904   12.046   0.0000   0.0000   31.904   12.046  ?   ?    99.599   22.865      ?      ? 
1 1 1   18   30   14 o   54.486   23.118   4.0702   11.829   0.0000   0.0000   4.0702   11.829  ?   ?    54.486   23.118      ?      ? 
1 1 1   18   30   15 o   58.121   23.898   7.0840   12.064   0.0000   0.0000   7.0840   12.064  ?   ?    58.121   23.898      ?      ? 
1 1 1   18   30   16 o   90.998   24.642   27.998   12.415   0.0000   0.0000   27.998   12.415  ?   ?    90.998   24.642      ?      ? 
1 1 1   18   30   17 o   86.636   18.428   23.328   8.3617   0.0000   0.0000   23.328   8.3617  ?   ?    86.636   18.428      ?      ? 
1 1 1   18   30   18 o   35.898   16.542  -4.1321   7.4345   0.0000   0.0000  -4.1321   7.4345  ?   ?    35.898   16.542      ?      ? 
1 1 1   18   30   19 o   67.365   19.653   14.439   7.5964   0.0000   0.0000   14.439   7.5964  ?   ?    67.365   19.653      ?      ? 
1 1 1   18   30   20 o   66.344   19.749   14.204   7.6060   0.0000   0.0000   14.204   7.6060  ?   ?    66.344   19.749      ?      ? 
1 1 1   18   30   21 o   53.292   19.707   8.2418   7.5157   0.0000   0.0000   8.2418   7.5157  ?   ?    53.292   19.707      ?      ? 
1 1 1   18   30   22 o   84.441   17.797   22.539   7.8643   0.0000   0.0000   22.539   7.8643  ?   ?    84.441   17.797      ?      ? 
1 1 1   18   30   23 o   75.242   19.504   18.363   7.9957   0.0000   0.0000   18.363   7.9957  ?   ?    75.242   19.504      ?      ? 
1 1 1   18   30   24 o  123.360   12.214   43.622   8.1420   0.0000   0.0000   43.622   8.1420  ?   ?   123.360   12.214      ?      ? 
1 1 1   18   30   25 o   77.737   17.945   19.088   7.3851   0.0000   0.0000   19.088   7.3851  ?   ?    77.737   17.945      ?      ? 
1 1 1   18   30   26 o   31.931   15.152  -6.5618   7.0472   0.0000   0.0000  -6.5618   7.0472  ?   ?    31.931   15.152      ?      ? 
1 1 1   18   30   27 f  178.204   9.0028   90.309   8.6693   0.0000   0.0000   90.309   8.6693  ?   ?   178.204   9.0028      ?      ? 
1 1 1   18   30   28 o   98.522   14.559   29.836   7.7508   0.0000   0.0000   29.836   7.7508  ?   ?    98.522   14.559      ?      ? 
1 1 1   18   30   29 o   66.814   19.482   15.243   7.4670   0.0000   0.0000   15.243   7.4670  ?   ?    66.814   19.482      ?      ? 
1 1 1   18   30   30 o   36.284   16.578  -1.8731   7.2529   0.0000   0.0000  -1.8731   7.2529  ?   ?    36.284   16.578      ?      ? 
1 1 1   18   30   31 o   90.335   18.227   27.874   8.5907   0.0000   0.0000   27.874   8.5907  ?   ?    90.335   18.227      ?      ? 
1 1 1   18   31    1 o  103.299   13.837   32.907   7.4909   36.970   10.283   28.312   10.935  112.266   16.950   94.332   21.877 17.93414 27.67488 
1 1 1   18   31    2 f  175.035   9.5269   86.614   8.9550  101.149   13.244   74.371   12.155  188.786   12.982  161.284   13.947 27.50203 19.05388 
1 1 1   18   31    3 o  101.812   13.010   30.845   6.8903   33.423   10.872   29.114   8.9077  103.835   20.103   99.788   16.520 4.047577 26.01988 
1 1 1   18   31    4 o   54.953   13.879   1.9530   6.2580   18.743   10.035  -8.7317   8.0052   76.297   22.678   33.609   16.006 42.68763 27.75750 
1 1 1   18   31    5 o   58.853   20.418   10.154   7.9321   0.0000   0.0000   10.154   7.9321  ?   ?    58.853   20.418      ?      ? 
1 1 1   18   31    6 o  207.478   11.211  120.929   12.569   0.0000   0.0000  120.929   12.569  ?   ?   207.478   11.211      ?      ? 
1 1 1   18   31    7 o  110.501   13.767   35.032   8.2207   0.0000   0.0000   35.032   8.2207  ?   ?   110.501   13.767      ?      ? 
1 1 1   18   31    8 o  117.191   12.583   39.083   7.9682   0.0000   0.0000   39.083   7.9682  ?   ?   117.191   12.583      ?      ? 
1 1 1   18   31    9 o  118.249   12.781   39.905   8.1668   0.0000   0.0000   39.905   8.1668  ?   ?   118.249   12.781      ?      ? 
1 1 1   18   31   10 o   45.320   18.771   3.1433   7.5161   0.0000   0.0000   3.1433   7.5161  ?   ?    45.320   18.771      ?      ? 
1 1 1   18   31   11 o   86.608   17.108   22.921   7.7224   0.0000   0.0000   22.921   7.7224  ?   ?    86.608   17.108      ?      ? 
1 1 1   18   31   12 o   70.345   19.198   15.635   7.5011   0.0000   0.0000   15.635   7.5011  ?   ?    70.345   19.198      ?      ? 
1 1 1   18   31   13 o   72.994   19.350   16.929   7.7561   0.0000   0.0000   16.929   7.7561  ?   ?    72.994   19.350      ?      ? 
1 1 1   18   31   14 o   50.696   19.377   6.6293   7.3997   0.0000   0.0000   6.6293   7.3997  ?   ?    50.696   19.377      ?      ? 
1 1 1   18   31   15 o  128.578   11.707   47.247   8.1341   0.0000   0.0000   47.247   8.1341  ?   ?   128.578   11.707      ?      ? 
1 1 1   18   31   16 f   39.777   17.694  -0.6222   7.6467   0.0000   0.0000  -0.6222   7.6467  ?   ?    39.777   17.694      ?      ? 
1 1 1   18   31   17 o   77.638   23.591   21.131   10.772   0.0000   0.0000   21.131   10.772  ?   ?    77.638   23.591      ?      ? 
1 1 1   18   31   18 o   62.072   24.509   11.447   12.141   0.0000   0.0000   11.447   12.141  ?   ?    62.072   24.509      ?      ? 
1 1 1   18   31   19 o   29.535   14.994 -41.0531   12.498   0.0000   0.0000 -41.0531   12.498  ?   ?    29.535   14.994      ?      ? 
1 1 1   18   31   20 o  216.603   12.636  134.991   14.789   0.0000   0.0000  134.991   14.789  ?   ?   216.603   12.636      ?      ? 
1 1 1   18   31   21 o   43.279   20.317  -7.1800   12.061   0.0000   0.0000  -7.1800   12.061  ?   ?    43.279   20.317      ?      ? 
1 1 1   18   31   22 o   75.720   24.479   20.906   11.419   0.0000   0.0000   20.906   11.419  ?   ?    75.720   24.479      ?      ? 
1 1 1   18   31   23 o   87.585   24.390   29.712   11.970   0.0000   0.0000   29.712   11.970  ?   ?    87.585   24.390      ?      ? 
1 1 1   18   31   24 o   55.174   23.291   9.3277   11.909   0.0000   0.0000   9.3277   11.909  ?   ?    55.174   23.291      ?      ? 
1 1 1   18   31   25 o   45.723   21.139  -2.1876   12.286   0.0000   0.0000  -2.1876   12.286  ?   ?    45.723   21.139      ?      ? 
1 1 1   18   31   26 o   56.595   23.763   9.2476   12.290   0.0000   0.0000   9.2476   12.290  ?   ?    56.595   23.763      ?      ? 
1 1 1   18   31   27 o   53.257   24.361   4.7140   15.721   0.0000   0.0000   4.7140   15.721  ?   ?    53.257   24.361      ?      ? 
1 1 1   18   32    0 o   75.508   16.584   19.114   7.5074   20.568   10.013   17.248   11.346   78.905   22.426   72.111   24.439 6.793465 33.16895 
1 1 1   18   32    1 o   65.650   16.282   11.584   7.5176   4.2716   9.7923   22.079   11.731   50.857   21.274   80.443   24.655 -29.58548 32.56441 
1 1 1   18   32    2 o  130.615   10.508   50.313   7.0977   47.770   11.645   51.816   8.9528  126.419   17.047  134.812   12.290 -8.392197 21.01513 
1 1 1   18   32    3 o  107.764   12.561   35.703   6.9260   33.694   10.916   37.058   8.9609  102.861   20.359  112.667   14.719 -9.805222 25.12234 
1 1 1   18   32    4 o  151.140   9.4088   65.502   7.2992   67.072   12.444   64.678   9.0125  151.018   15.249  151.261   11.026 -0.2427979 18.81756 
1 1 1   18   32    5 o   68.715   19.710   15.202   7.6992   0.0000   0.0000   15.202   7.6992  ?   ?    68.715   19.710      ?      ? 
1 1 1   18   32    6 o   34.383   16.217  -6.6394   7.8457   0.0000   0.0000  -6.6394   7.8457  ?   ?    34.383   16.217      ?      ? 
1 1 1   18   32    7 o   56.358   19.903   9.6903   7.5560   0.0000   0.0000   9.6903   7.5560  ?   ?    56.358   19.903      ?      ? 
1 1 1   18   32    8 o  103.286   14.142   31.369   7.8930   0.0000   0.0000   31.369   7.8930  ?   ?   103.286   14.142      ?      ? 
1 1 1   18   32    9 o   94.589   15.598   26.817   7.9728   0.0000   0.0000   26.817   7.9728  ?   ?    94.589   15.598      ?      ? 
1 1 1   18   32   10 o   52.272   19.788   7.6395   7.6706   0.0000   0.0000   7.6395   7.6706  ?   ?    52.272   19.788      ?      ? 
1 1 1   18   32   11 o   84.632   18.317   22.769   8.1335   0.0000   0.0000   22.769   8.1335  ?   ?    84.632   18.317      ?      ? 
1 1 1   18   32   12 f   89.832   17.508   25.189   8.1935   0.0000   0.0000   25.189   8.1935  ?   ?    89.832   17.508      ?      ? 
1 1 1   18   32   13 o  120.284   13.213   41.919   8.5879   0.0000   0.0000   41.919   8.5879  ?   ?   120.284   13.213      ?      ? 
1 1 1   18   32   14 o  131.571   11.609   49.342   8.2533   0.0000   0.0000   49.342   8.2533  ?   ?   131.571   11.609      ?      ? 
1 1 1   18   32   15 o   48.338   19.496   5.0064   7.8474   0.0000   0.0000   5.0064   7.8474  ?   ?    48.338   19.496      ?      ? 
1 1 1   18   32   16 o   52.155   20.145   7.2615   8.0559   0.0000   0.0000   7.2615   8.0559  ?   ?    52.155   20.145      ?      ? 
1 1 1   18   32   17 o  113.230   13.631   37.810   8.3404   0.0000   0.0000   37.810   8.3404  ?   ?   113.230   13.631      ?      ? 
1 1 1   18   32   18 o  124.025   13.330   46.055   8.9339   0.0000   0.0000   46.055   8.9339  ?   ?   124.025   13.330      ?      ? 
1 1 1   18   32   19 o   52.224   21.566   8.0521   9.8789   0.0000   0.0000   8.0521   9.8789  ?   ?    52.224   21.566      ?      ? 
1 1 1   18   32   20 o  116.859   16.710   43.376   10.552   0.0000   0.0000   43.376   10.552  ?   ?   116.859   16.710      ?      ? 
1 1 1   18   32   21 o   42.180   19.111  -0.8500   9.3863   0.0000   0.0000  -0.8500   9.3863  ?   ?    42.180   19.111      ?      ? 
1 1 1   18   32   22 o   29.953   14.888 -18.5350   9.3645   0.0000   0.0000 -18.5350   9.3645  ?   ?    29.953   14.888      ?      ? 
1 1 1   18   32   23 o   42.768   19.172   1.0009   9.1643   0.0000   0.0000   1.0009   9.1643  ?   ?    42.768   19.172      ?      ? 
1 1 1   18   32   24 o   73.047   22.568   20.965   9.8073   0.0000   0.0000   20.965   9.8073  ?   ?    73.047   22.568      ?      ? 
1 1 1   18   33    0 o   55.221   16.991   4.0474   9.2801   2.1581   11.936   6.9347   14.756   51.105   22.445   59.338   25.514 -8.233112 33.98171 
1 1 1   18   33    1 o   36.900   12.898 -21.3139   8.7785 -23.2432   11.080 -18.0608   14.387   32.480   16.152   41.321   20.114 -8.840687 25.79641 
1 1 1   18   33    2 o  108.665   16.664   39.951   9.2778   39.730   11.767   40.315   15.083  111.183   20.336  106.146   26.405 5.037209 33.32798 
1 1 1   18   33    3 o   47.707   15.172  -0.3663   7.8293   0.2964   9.5754  -1.7029   13.599   45.188   19.964   50.225   22.852 -5.036945 30.34430 
1 1 1   18   33    4 f  155.816   14.752   71.419   12.421   0.0000   0.0000   71.419   12.421  ?   ?   155.816   14.752      ?      ? 
1 1 1   18   33    5 o  112.886   20.349   40.870   11.956   0.0000   0.0000   40.870   11.956  ?   ?   112.886   20.349      ?      ? 
1 1 1   18   33    6 o   84.607   24.803   25.157   12.074   0.0000   0.0000   25.157   12.074  ?   ?    84.607   24.803      ?      ? 
1 1 1   18   33    7 o   72.788   24.458   18.301   11.362   0.0000   0.0000   18.301   11.362  ?   ?    72.788   24.458      ?      ? 
1 1 1   18   33    8 o   80.069   24.208   22.548   11.363   0.0000   0.0000   22.548   11.363  ?   ?    80.069   24.208      ?      ? 
1 1 1   18   33    9 o   33.845   16.659 -18.0676   10.736   0.0000   0.0000 -18.0676   10.736  ?   ?    33.845   16.659      ?      ? 
1 1 1   18   33   10 o   68.414   23.509   16.607   10.502   0.0000   0.0000   16.607   10.502  ?   ?    68.414   23.509      ?      ? 
1 1 1   18   33   11 o   51.909   21.663   6.7581   10.120   0.0000   0.0000   6.7581   10.120  ?   ?    51.909   21.663      ?      ? 
1 1 1   18   33   12 o   82.785   23.272   26.097   10.844   0.0000   0.0000   26.097   10.844  ?   ?    82.785   23.272      ?      ? 
1 1 1   18   33   13 o   59.134   22.732   12.734   10.220   0.0000   0.0000   12.734   10.220  ?   ?    59.134   22.732      ?      ? 
1 1 1   18   33   14 o   57.394   22.657   11.205   10.373   0.0000   0.0000   11.205   10.373  ?   ?    57.394   22.657      ?      ? 
1 1 1   18   33   15 o   55.505   22.178   9.4691   10.052   0.0000   0.0000   9.4691   10.052  ?   ?    55.505   22.178      ?      ? 
1 1 1   18   33   16 o   63.711   23.072   14.560   10.221   0.0000   0.0000   14.560   10.221  ?   ?    63.711   23.072      ?      ? 
1 1 1   18   33   17 o   80.135   23.032   23.983   10.503   0.0000   0.0000   23.983   10.503  ?   ?    80.135   23.032      ?      ? 
1 1 1   18   33   18 o   59.975   21.663   13.161   9.0029   0.0000   0.0000   13.161   9.0029  ?   ?    59.975   21.663      ?      ? 
1 1 1   18   33   19 o  116.880   13.378   41.771   8.4494   0.0000   0.0000   41.771   8.4494  ?   ?   116.880   13.378      ?      ? 
1 1 1   18   34    0 f   59.188   16.159   11.963   7.1465   17.108   11.709   8.9085   9.0220   65.437   24.518   52.939   21.056 12.49819 32.31841 
1 1 1   18   34    1 o   47.142   14.593   3.6877   7.1421   0.3680   11.231   5.9420   9.2546   45.375   20.692   48.908   20.583 -3.532974 29.18587 
1 1 1   18   34    2 o   65.221   16.243   15.124   6.9645   21.946   11.501   11.174   8.7516   73.713   24.607   56.729   21.208 16.98404 32.48521 
1 1 1   18   34    3 o   40.415   17.823   1.0869   7.5967   0.0000   0.0000   1.0869   7.5967  ?   ?    40.415   17.823      ?      ? 
1 1 1   18   34    4 o   35.663   16.562  -3.5272   7.6663   0.0000   0.0000  -3.5272   7.6663  ?   ?    35.663   16.562      ?      ? 
1 1 1   18   34    5 f  101.051   14.762   31.205   8.0605   0.0000   0.0000   31.205   8.0605  ?   ?   101.051   14.762      ?      ? 
1 1 1   18   34    6 o   42.902   18.570   2.1908   7.9211   0.0000   0.0000   2.1908   7.9211  ?   ?    42.902   18.570      ?      ? 
1 1 1   18   34    7 o   67.830   20.128   15.917   7.9098   0.0000   0.0000   15.917   7.9098  ?   ?    67.830   20.128      ?      ? 
1 1 1   18   34    8 o   58.007   20.440   11.303   7.9657   0.0000   0.0000   11.303   7.9657  ?   ?    58.007   20.440      ?      ? 
1 1 1   18   34    9 o   67.884   19.973   15.998   7.8163   0.0000   0.0000   15.998   7.8163  ?   ?    67.884   19.973      ?      ? 
1 1 1   18   34   10 o   38.545   17.429  -0.8735   7.7619   0.0000   0.0000  -0.8735   7.7619  ?   ?    38.545   17.429      ?      ? 
1 1 1   18   34   11 o  104.942   15.319   34.519   8.6871   0.0000   0.0000   34.519   8.6871  ?   ?   104.942   15.319      ?      ? 
1 1 1   18   34   12 o   75.312   19.106   19.960   7.7878   0.0000   0.0000   19.960   7.7878  ?   ?    75.312   19.106      ?      ? 
1 1 1   18   34   13 o   45.612   18.842   5.3731   7.5443   0.0000   0.0000   5.3731   7.5443  ?   ?    45.612   18.842      ?      ? 
1 1 1   18   35    0 o   42.294   13.656  -1.2573   6.7269   5.5135   10.991  -5.3126   8.5061   49.259   21.589   35.328   16.730 13.93134 27.31226 
1 1 1   19    0    0 o  751.599   9.2030  1529.21   52.823  1529.21   52.823  1529.21   52.823  751.599   13.015  751.599   13.015 0.000000 0.000000 
1 1 1   19    0    1 o  1136.73   13.618  3501.94  118.223  3501.94  118.223  3501.94  118.223  1136.73   19.259  1136.73   19.259 0.000000 0.000000 
1 1 1   19    0    2 o  1114.80   13.376  3367.67  113.875  3367.67  113.875  3367.67  113.875  1114.80   18.916  1114.80   18.916 0.000000 0.000000 
1 1 1   19    0    3 o  476.219   6.1703  613.615   22.438  613.615   22.438  613.615   22.438  476.219   8.7261  476.219   8.7261 0.000000 0.000000 
1 1 1   19    0    4 o   42.837   9.5338   6.2356   2.7416   6.2356   2.7416   6.2356   2.7416   42.837   13.483   42.837   13.483 0.000000 0.000000 
1 1 1   19    0    5 o   85.612   4.7622   20.173   3.0712   20.173   3.0712   20.173   3.0712   85.612   6.7347   85.612   6.7347 0.000000 0.000000 
1 1 1   19    0    6 o  584.076   7.3253  923.104   32.673  923.104   32.673  923.104   32.673  584.076   10.360  584.076   10.360 0.000000 0.000000 
1 1 1   19    0    7 o  1145.87   19.449  3567.57  170.087  3567.57  170.087  3567.57  170.087  1145.87   27.505  1145.87   27.505 0.000000 0.000000 
1 1 1   19    0    8 o  200.854   5.2869  109.482   8.0894  109.482   8.0894  109.482   8.0894  200.854   7.4768  200.854   7.4768 0.000000 0.000000 
1 1 1   19    0    9 o  406.305   7.8438  447.297   24.314  447.297   24.314  447.297   24.314  406.305   11.093  406.305   11.093 0.000000 0.000000 
1 1 1   19    0   10 o   93.973   8.5863   25.045   5.8827   25.045   5.8827   25.045   5.8827   93.973   12.143   93.973   12.143 0.000000 0.000000 
1 1 1   19    0   11 o  866.173   10.502  2030.87   69.470  2030.87   69.470  2030.87   69.470  866.173   14.852  866.173   14.852 0.000000 0.000000 
1 1 1   19    0   12 o  1161.57   13.912  3654.60  123.413  3654.60  123.413  3654.60  123.413  1161.57   19.675  1161.57   19.675 0.000000 0.000000 
1 1 1   19    0   13 o  451.353   5.9820  551.154   20.617  551.154   20.617  551.154   20.617  451.353   8.4598  451.353   8.4598 0.000000 0.000000 
1 1 1   19    0   14 o  547.047   6.9830  809.647   29.171  809.647   29.171  809.647   29.171  547.047   9.8755  547.047   9.8755 0.000000 0.000000 
1 1 1   19    0   15 o  772.803   9.4737  1616.19   55.911  1616.19   55.911  1616.19   55.911  772.803   13.398  772.803   13.398 0.000000 0.000000 
1 1 1   19    0   16 o  266.828   4.4688  192.718   9.1007  192.718   9.1007  192.718   9.1007  266.828   6.3198  266.828   6.3198 0.000000 0.000000 
1 1 1   19    0   17 o  503.596   6.4921  686.141   24.966  686.141   24.966  686.141   24.966  503.596   9.1813  503.596   9.1813 0.000000 0.000000 
1 1 1   19    0   18 o  1053.51   12.654  3005.53  101.808  3005.53  101.808  3005.53  101.808  1053.51   17.895  1053.51   17.895 0.000000 0.000000 
1 1 1   19    0   19 o  251.942   4.2866  171.824   8.2423  171.824   8.2423  171.824   8.2423  251.942   6.0621  251.942   6.0621 0.000000 0.000000 
1 1 1   19    0   20 o  995.654   12.001  2684.21   91.250  2684.21   91.250  2684.21   91.250  995.654   16.972  995.654   16.972 0.000000 0.000000 
1 1 1   19    0   22 o  396.244   5.5176  424.843   16.693  424.843   16.693  424.843   16.693  396.244   7.8031  396.244   7.8031 0.000000 0.000000 
1 1 1   19    0   23 o  128.604   5.3652   45.166   5.2309   45.166   5.2309   45.166   5.2309  128.604   7.5876  128.604   7.5876 0.000000 0.000000 
1 1 1   19    0   24 o  494.571   6.5178  661.898   24.615  661.898   24.615  661.898   24.615  494.571   9.2176  494.571   9.2176 0.000000 0.000000 
1 1 1   19    0   27 o  634.610   7.9585  1090.08   38.569  1090.08   38.569  1090.08   38.569  634.610   11.255  634.610   11.255 0.000000 0.000000 
1 1 1   19    0   31 o  414.915   5.7218  465.954   18.127  465.954   18.127  465.954   18.127  414.915   8.0918  414.915   8.0918 0.000000 0.000000 
1 1 1   19    0   32 o  1136.56   13.691  3508.89  118.837  3508.89  118.837  3508.89  118.837  1136.56   19.362  1136.56   19.362 0.000000 0.000000 
1 1 1   19    0   33 o  173.180   4.8593   81.464   6.4079   81.464   6.4079   81.464   6.4079  173.180   6.8721  173.180   6.8721 0.000000 0.000000 
1 1 1   19    0   34 o  428.615   5.8548  497.400   19.161  497.400   19.161  497.400   19.161  428.615   8.2800  428.615   8.2800 0.000000 0.000000 
1 1 1   19    0   35 o  172.069   4.7708   80.424   6.2514   80.424   6.2514   80.424   6.2514  172.069   6.7469  172.069   6.7469 0.000000 0.000000 
1 1 1   19    0   36 o   26.372   11.487   1.4421   4.5147   1.4421   4.5147   1.4421   4.5147   26.372   16.245   26.372   16.245 0.000000 0.000000 
1 1 1   19    0   37 o   64.886   10.739   13.122   4.6280   13.122   4.6280   13.122   4.6280   64.886   15.187   64.886   15.187 0.000000 0.000000 
1 1 1   19    0   38 o  123.907   5.7320   42.078   5.3742   42.078   5.3742   42.078   5.3742  123.907   8.1062  123.907   8.1062 0.000000 0.000000 
1 1 1   19    0   39 o  142.042   5.2900   55.055   5.7058   55.055   5.7058   55.055   5.7058  142.042   7.4812  142.042   7.4812 0.000000 0.000000 
1 1 1   19    0   40 o  180.228   4.8356   88.270   6.6383   88.270   6.6383   88.270   6.6383  180.228   6.8386  180.228   6.8386 0.000000 0.000000 
1 1 1   19    0   41 o  275.111   4.7646  205.187   10.003  205.187   10.003  205.187   10.003  275.111   6.7381  275.111   6.7381 0.000000 0.000000 
1 1 1   19    0   42 o   22.911   10.594  -0.5574   4.5779  -0.5574   4.5779  -0.5574   4.5779   22.911   14.982   22.911   14.982 0.000000 0.000000 
1 1 1   19    0   43 o  316.002   5.0349  270.855   12.145  270.855   12.145  270.855   12.145  316.002   7.1205  316.002   7.1205 0.000000 0.000000 
1 1 1   19    0   44 o  248.594   4.7545  167.722   9.0174  167.722   9.0174  167.722   9.0174  248.594   6.7239  248.594   6.7239 0.000000 0.000000 
1 1 1   19    0   45 o  155.417   5.3647   65.947   6.3370   65.947   6.3370   65.947   6.3370  155.417   7.5868  155.417   7.5868 0.000000 0.000000 
1 1 1   19    0   48 o  137.269   9.0059   52.883   9.2603   52.883   9.2603   52.883   9.2603  137.269   12.736  137.269   12.736 0.000000 0.000000 
1 1 1   19    0   49 o  158.818   5.3480   68.971   6.4572   68.971   6.4572   68.971   6.4572  158.818   7.5632  158.818   7.5632 0.000000 0.000000 
1 1 1   19    0   50 o  359.724   5.4450  352.277   14.953  352.277   14.953  352.277   14.953  359.724   7.7004  359.724   7.7004 0.000000 0.000000 
1 1 1   19    0   51 o  140.669   5.8180   54.410   6.2053   54.410   6.2053   54.410   6.2053  140.669   8.2278  140.669   8.2278 0.000000 0.000000 
1 1 1   19    0   52 f  226.064   4.9478  139.311   8.5292  139.311   8.5292  139.311   8.5292  226.064   6.9973  226.064   6.9973 0.000000 0.000000 
1 1 1   19    0   53 o   97.006   7.9680   26.851   5.6989   26.851   5.6989   26.851   5.6989   97.006   11.269   97.006   11.269 0.000000 0.000000 
1 1 1   19    0   54 o  103.392   7.7254   30.328   5.9480   30.328   5.9480   30.328   5.9480  103.392   10.925  103.392   10.925 0.000000 0.000000 
1 1 1   19    0   55 o  103.923   7.9569   30.728   6.1315   30.728   6.1315   30.728   6.1315  103.923   11.253  103.923   11.253 0.000000 0.000000 
1 1 1   19    0   56 o  165.112   5.8752   75.098   7.3703   75.098   7.3703   75.098   7.3703  165.112   8.3087  165.112   8.3087 0.000000 0.000000 
1 1 1   19    0   57 o   74.598   12.943   18.264   6.3898   18.264   6.3898   18.264   6.3898   74.598   18.304   74.598   18.304 0.000000 0.000000 
1 1 1   19    0   58 o   19.010   9.5914  -8.5059   6.2201  -8.5059   6.2201  -8.5059   6.2201   19.010   13.564   19.010   13.564 0.000000 0.000000 
1 1 1   19    0   59 o   71.459   14.907   17.909   7.0763   17.909   7.0763   17.909   7.0763   71.459   21.081   71.459   21.081 0.000000 0.000000 
1 1 1   19    0   60 f  300.120   5.5834  248.852   12.786  248.852   12.786  248.852   12.786  300.120   7.8962  300.120   7.8962 0.000000 0.000000 
1 1 1   19    0   61 o   90.075   11.752   25.447   7.2786   25.447   7.2786   25.447   7.2786   90.075   16.620   90.075   16.620 0.000000 0.000000 
1 1 1   19    0   62 o   30.330   13.677   2.1925   7.0207   2.1925   7.0207   2.1925   7.0207   30.330   19.342   30.330   19.342 0.000000 0.000000 
1 1 1   19    1    0 o  523.472   6.6713  740.752   18.864  726.943   26.245  755.510   27.132  518.432   9.3686  528.512   9.5002 -10.08038 13.34259 
1 1 1   19    1    1 f  316.965   4.6274  271.507   7.9235  274.671   11.362  268.512   11.055  318.761   6.5965  315.170   6.4913 3.591583 9.254784 
1 1 1   19    1    2 o  484.564   6.2546  634.971   16.377  634.245   23.182  635.694   23.140  484.286   8.8585  484.841   8.8323 -0.5545349 12.50924 
1 1 1   19    1    3 o  123.992   4.0270   41.557   2.6936   41.486   3.9231   41.620   3.7050  123.890   5.8601  124.093   5.5252 -0.2028427 8.054089 
1 1 1   19    1    4 o  447.875   5.8704  542.377   14.207  541.744   20.132  543.005   20.052  447.613   8.3235  448.136   8.2804 -0.5220642 11.74078 
1 1 1   19    1    5 o  305.253   6.3406  251.863   10.459   0.0000   0.0000  251.863   10.459  ?   ?   305.253   6.3406      ?      ? 
1 1 1   19    1    6 o  599.576   9.1792  972.406   28.033  971.225   34.318  974.775   48.596  599.205   10.599  599.946   14.990 -0.7412720 18.35845 
1 1 1   19    1    7 o   85.940   5.7917   19.205   2.5760   17.509   3.1559   22.590   4.4592   80.480   7.2569   91.400   9.0285 -10.92003 11.58349 
1 1 1   19    1    8 o  358.898   7.0556  348.193   13.683   0.0000   0.0000  348.193   13.683  ?   ?   358.898   7.0556      ?      ? 
1 1 1   19    1    9 o  864.032   13.034  1972.72   55.290  2146.17  104.490  1905.27   65.160  889.175   21.747  838.889   14.374 50.28625 26.06831 
1 1 1   19    1   10 o  432.583   7.0127  509.229   15.587  516.504   19.333  495.721   26.345  437.089   8.1855  428.078   11.389 9.011414 14.02536 
1 1 1   19    1   11 o  915.529   11.064  2269.50   54.733  2282.93   77.853  2256.37   76.963  918.203   15.691  912.856   15.602 5.346741 22.12773 
1 1 1   19    1   13 o  591.507   7.4605  946.116   23.845  949.951   33.929  942.374   33.518  592.689   10.594  590.325   10.507 2.364197 14.92099 
1 1 1   19    1   14 o  624.652   7.8064  1055.20   26.349  1050.88   37.139  1059.58   37.390  623.365   11.025  625.940   11.054 -2.574707 15.61285 
1 1 1   19    1   15 o  646.098   8.0448  1128.69   28.081  1114.61   39.220  1143.51   40.223  641.966   11.306  650.230   11.448 -8.263367 16.08968 
1 1 1   19    1   16 o  994.391   10.948  2675.56   57.588  2683.86   91.351  2670.08   74.185  995.469   16.982  993.314   13.821 2.154541 21.89573 
1 1 1   19    1   18 o  1012.95   12.197  2778.54   66.746  2820.41   95.680  2738.85   93.156  1020.36   17.353  1005.53   17.145 14.83087 24.39402 
1 1 1   19    1   19 o  705.070   12.269  1344.93   46.743  1344.93   46.743   0.0000   0.0000  705.070   12.269  ?   ?       ?      ? 
1 1 1   19    1   23 o  459.543   6.1271  570.725   15.210  588.123   21.824  554.292   21.210  466.349   8.6604  452.737   8.6698 13.61218 12.25430 
1 1 1   19    1   26 o  564.310   7.2957  861.208   22.242  881.313   31.850  842.069   31.075  570.735   10.327  557.885   10.308 12.85034 14.59140 
1 1 1   19    1   27 o  644.918   8.0723  1125.75   28.131  1129.66   39.869  1121.88   39.699  646.032   11.421  643.804   11.411 2.227905 16.14454 
1 1 1   19    1   28 o  416.482   5.7107  468.964   12.851  477.573   18.343  460.665   18.008  420.235   8.0777  412.729   8.0746 7.505676 11.42143 
1 1 1   19    1   29 o  232.283   6.2782  145.874   7.8802  145.874   7.8802   0.0000   0.0000  232.283   6.2782  ?   ?       ?      ? 
1 1 1   19    1   30 o  346.032   5.1018  323.650   9.5367  330.875   13.688  316.835   13.294  349.781   7.2420  342.282   7.1878 7.499451 10.20352 
1 1 1   19    1   32 o  226.913   6.5238  139.260   7.9992   0.0000   0.0000  139.260   7.9992  ?   ?   226.913   6.5238      ?      ? 
1 1 1   19    1   33 o  282.600   4.7256  215.635   7.2083  207.889   9.9110  224.333   10.503  277.226   6.6160  287.974   6.7494 -10.74875 9.451292 
1 1 1   19    1   34 o  147.966   5.0388   58.922   4.0180   54.388   5.4550   64.300   5.9406  141.777   7.1203  154.155   7.1316 -12.37878 10.07759 
1 1 1   19    1   35 o  351.315   5.1870  334.065   9.8468  335.478   13.923  332.652   13.928  352.059   7.3185  350.570   7.3525 1.488739 10.37399 
1 1 1   19    1   36 o  624.667   7.8847  1059.35   26.613  1068.78   37.910  1050.19   37.368  627.399   11.182  621.935   11.119 5.463806 15.76939 
1 1 1   19    1   37 o  229.430   4.6167  142.590   5.7194  147.501   8.0404  137.561   8.1373  233.441   6.3740  225.418   6.6804 8.023178 9.233425 
1 1 1   19    1   38 o  265.445   4.6844  190.719   6.7155  188.582   9.3236  193.023   9.6809  263.908   6.5380  266.982   6.7103 -3.073822 9.368779 
1 1 1   19    1   39 o  238.688   4.6242  154.306   5.9611  161.217   8.4918  147.592   8.3702  243.965   6.4415  233.411   6.6363 10.55420 9.248385 
1 1 1   19    1   40 o  315.422   4.9865  269.660   8.4980  269.380   11.923  269.949   12.116  315.263   6.9985  315.581   7.1049 -0.3176880 9.972904 
1 1 1   19    1   41 f  129.566   5.6087   45.535   3.9214   45.089   5.3943   46.035   5.7107  128.907   7.7441  130.225   8.1154 -1.318451 11.21741 
1 1 1   19    1   42 o  205.711   4.7030  114.815   5.2255  117.586   7.3457  111.976   7.4351  208.239   6.5281  203.183   6.7719 5.055862 9.406077 
1 1 1   19    1   43 o  218.662   4.7000  129.085   5.5392  120.407   7.5179  139.390   8.1928  210.669   6.6040  226.655   6.6893 -15.98633 9.399945 
1 1 1   19    1   44 o  277.852   5.8256  210.253   8.4300  209.234   13.896  210.847   10.604  277.060   9.2817  278.644   7.0427 -1.584747 11.65114 
1 1 1   19    1   45 o  165.756   6.9990   75.079   6.2409   74.865   8.4326   75.338   9.2800  165.585   9.4244  165.928   10.350 -0.3429565 13.99798 
1 1 1   19    1   46 o  202.044   6.8329  112.306   7.4175  122.230   10.302  101.622   10.689  211.529   9.0125  192.559   10.273 18.96968 13.66582 
1 1 1   19    1   47 o  269.525   6.0255  196.475   8.2310  192.979   9.9930  203.851   14.515  266.311   6.9441  272.739   9.8491 -6.428131 12.05093 
1 1 1   19    1   48 o   67.355   13.123   11.944   5.3986   22.095   8.2771   4.4279   7.1221   86.567   18.269   48.144   18.845 38.42373 26.24640 
1 1 1   19    1   49 o  251.088   7.1019  173.376   9.5913  175.383   14.299  171.734   12.932  252.195   10.492  249.981   9.5738 2.214340 14.20376 
1 1 1   19    1   50 o  180.829   5.2043   89.048   5.0743   97.587   7.4051   81.490   6.9671  189.003   7.2506  172.655   7.4676 16.34735 10.40851 
1 1 1   19    1   51 o  212.543   4.9334  123.393   5.6659  124.093   7.9980  122.688   8.0278  213.159   6.9436  211.927   7.0101 1.232330 9.866883 
1 1 1   19    1   52 o  179.644   5.2617   88.398   5.1072   86.712   7.2037   90.102   7.2418  177.905   7.4934  181.383   7.3885 -3.478714 10.52340 
1 1 1   19    1   53 o   94.832   7.8826   25.132   4.0391   25.415   5.7084   24.848   5.7160   95.387   11.075   94.277   11.220 1.109596 15.76516 
1 1 1   19    1   54 o  101.351   7.6623   28.867   4.1647   32.688   5.8742   25.005   5.9053  108.374   10.031   94.327   11.586 14.04729 15.32464 
1 1 1   19    1   55 o   52.775   12.127   8.0235   3.9828   6.5209   5.4529   9.7419   5.8313   48.616   16.926   56.934   17.370 -8.318066 24.25307 
1 1 1   19    1   56 o   92.626   8.7668   24.437   4.3871   24.748   6.1766   24.120   6.2325   93.276   12.254   91.975   12.540 1.301064 17.53352 
1 1 1   19    1   57 o   52.416   12.725   8.1358   4.3844   6.7604   6.2272   9.4880   6.1741   49.315   17.986   55.517   18.005 -6.201633 25.44954 
1 1 1   19    1   58 o   47.269   12.296   5.1818   4.4986   0.1780   6.4293   9.9816   6.2969   37.954   16.576   56.585   18.166 -18.63083 24.59191 
1 1 1   19    1   59 o   57.583   13.306   10.043   4.9168   13.782   7.0863   6.5725   6.8276   65.564   18.940   49.602   18.695 15.96256 26.61237 
1 1 1   19    1   60 o  131.204   7.6887   50.301   5.4093   43.386   7.6131   57.351   7.6873  121.405   11.605  141.004   10.089 -19.59856 15.37730 
1 1 1   19    1   61 o  127.923   7.8963   47.601   5.4057   40.374   7.6254   54.903   7.6645  117.437   12.016  138.409   10.248 -20.97221 15.79265 
1 1 1   19    1   62 o  101.650   9.6146   31.714   5.2767   33.488   7.6123   30.073   7.3210  104.486   13.483   98.815   13.711 5.670876 19.22924 
1 1 1   19    2    0 o  537.644   6.8319  781.847   19.848  780.360   28.082  783.331   28.058  537.132   9.6752  538.155   9.6484 -1.022888 13.66387 
1 1 1   19    2    1 o  745.019   9.1222  1501.88   36.711  1525.43   52.775  1479.79   51.101  750.664   13.010  739.374   12.790 11.28998 18.24441 
1 1 1   19    2    2 f  669.641   8.2768  1213.34   29.948  1219.53   42.636  1207.32   42.075  671.323   11.753  667.960   11.657 3.362244 16.55351 
1 1 1   19    2    3 o  369.429   5.1144  368.918   10.208  370.584   14.598  367.324   14.279  370.243   7.2967  368.615   7.1686 1.628540 10.22887 
1 1 1   19    2    4 o   54.114   7.1272   8.4286   1.9758   6.3198   3.0223   10.003   2.6111   47.403   11.835   60.825   7.9444 -13.42198 14.25432 
1 1 1   19    2    5 o  351.082   4.9458  333.198   9.3824  332.865   13.326  333.526   13.212  350.907   7.0280  351.257   6.9607 -0.3498840 9.891579 
1 1 1   19    2    6 o  572.013   8.8472  882.963   25.689  878.188   31.312  892.793   44.930  569.812   10.169  574.214   14.480 -4.401978 17.69432 
1 1 1   19    2    7 o  449.830   7.2867  556.470   16.938  514.640   27.873  580.961   21.327  436.125   11.827  463.535   8.5147 -27.41058 14.57336 
1 1 1   19    2    8 o  955.526   14.129  2489.22   69.212  2436.94  117.660  2516.89   85.585  947.195   22.988  963.857   16.432 -16.66211 28.25722 
1 1 1   19    2    9 o  436.030   7.0224  505.975   15.380  536.261   27.754  492.552   18.477  445.223   11.536  426.836   8.0109 18.38705 14.04480 
1 1 1   19    2   10 o  604.953   7.5711  989.628   24.746  977.986   34.641  1001.76   35.363  601.323   10.661  608.582   10.753 -7.259216 15.14219 
1 1 1   19    2   11 o  565.667   8.7556  860.441   25.066  850.886   30.424  880.631   44.227  560.938   10.037  570.396   14.349 -9.457336 17.51129 
1 1 1   19    2   12 o   79.975   6.9127   19.560   2.5430   27.684   3.4333   9.6868   3.7851  101.207   6.2779   58.742   12.318 42.46450 13.82537 
1 1 1   19    2   13 o  681.333   8.4278  1255.15   31.019  1274.38   44.530  1237.02   43.235  686.395   12.006  676.270   11.831 10.12494 16.85563 
1 1 1   19    2   14 o  365.812   7.3153  361.704   14.460   0.0000   0.0000  361.704   14.460  ?   ?   365.812   7.3153      ?      ? 
1 1 1   19    2   15 o  885.216   10.745  2118.63   51.349  2175.14   74.596  2067.74   70.792  896.399   15.400  874.033   14.989 22.36554 21.49018 
1 1 1   19    2   16 o  146.212   4.8711   57.291   3.7974   71.757   5.6431   45.319   5.1336  162.940   6.4092  129.483   7.3370 33.45625 9.742172 
1 1 1   19    2   18 o  767.627   9.3901  1594.26   38.947  1615.18   55.532  1574.00   54.637  772.581   13.302  762.673   13.257 9.907776 18.78028 
1 1 1   19    2   19 o  234.375   5.3571  148.454   6.7847  148.454   6.7847   0.0000   0.0000  234.375   5.3571  ?   ?       ?      ? 
1 1 1   19    2   22 o  959.807   11.621  2493.43   60.220  2566.28   87.353  2427.45   83.132  973.121   16.612  946.494   16.254 26.62726 23.24124 
1 1 1   19    2   25 o  460.968   6.1871  574.782   15.408  587.939   21.739  561.501   21.840  466.276   8.6279  455.660   8.8702 10.61584 12.37423 
1 1 1   19    2   26 o  506.972   6.6660  695.052   18.258  715.756   26.041  675.036   25.605  514.399   9.3686  499.545   9.4854 14.85382 13.33210 
1 1 1   19    2   27 o  650.550   11.515  1145.54   40.478   0.0000   0.0000  1145.54   40.478  ?   ?   650.550   11.515      ?      ? 
1 1 1   19    2   28 o  439.679   8.3908  522.835   19.935   0.0000   0.0000  522.835   19.935  ?   ?   439.679   8.3908      ?      ? 
1 1 1   19    2   29 o  756.137   9.3086  1549.11   38.029  1535.38   53.250  1563.40   54.327  752.730   13.092  759.543   13.237 -6.812805 18.61713 
1 1 1   19    2   31 o  615.610   7.7547  1025.76   25.786  1047.13   37.124  1005.84   35.843  621.790   11.049  609.430   10.884 12.36005 15.50946 
1 1 1   19    2   33 o  664.731   8.3007  1198.13   29.814  1210.27   42.485  1186.34   41.848  668.043   11.769  661.419   11.709 6.623474 16.60145 
1 1 1   19    2   34 o  525.547   6.8127  748.264   19.347  752.860   27.422  743.708   27.300  527.155   9.6266  523.939   9.6427 3.216248 13.62548 
1 1 1   19    2   35 o  215.354   4.5311  125.477   5.2690  125.389   7.3117  125.571   7.5997  215.282   6.2853  215.426   6.5284 -0.1448364 9.062261 
1 1 1   19    2   36 o  352.397   5.1978  336.260   9.8974  340.130   14.007  332.401   13.987  354.426   7.3135  350.368   7.3880 4.057861 10.39562 
1 1 1   19    2   37 o   38.554   9.8123   1.7030   3.1657   6.7545   4.2665  -4.4846   4.7219   49.491   14.804   27.617   12.882 21.87407 19.62457 
1 1 1   19    2   38 o  247.676   4.6416  166.216   6.2080  170.465   8.7004  161.809   8.8606  250.915   6.4169  244.438   6.7082 6.477722 9.283130 
1 1 1   19    2   39 o  328.122   5.0627  291.839   8.9755  294.080   12.635  289.557   12.752  329.402   7.0985  326.842   7.2203 2.560577 10.12531 
1 1 1   19    2   40 o   94.730   6.9313   24.545   3.5235   26.088   4.8106   22.759   5.1752   98.003   9.0840   91.458   10.472 6.544502 13.86265 
1 1 1   19    2   41 o  102.099   6.5572   28.367   3.6059   28.680   4.9207   28.004   5.2993  102.736   8.8638  101.463   9.6654 1.273262 13.11440 
1 1 1   19    2   42 o  118.956   6.8290   38.232   4.3401   40.541   6.7381   36.595   5.6738  121.943   10.226  115.969   9.0540 5.973358 13.65797 
1 1 1   19    2   43 o   35.835   11.129  -2.7113   4.2020  -5.8086   5.4619   1.7800   6.5773   28.869   13.590   42.802   17.627 -13.93369 22.25796 
1 1 1   19    2   44 o  131.540   7.4759   46.495   5.2640   41.577   6.8928   53.378   8.1539  123.366   10.340  139.713   10.800 -16.34692 14.95188 
1 1 1   19    2   45 o  235.387   5.8866  152.069   7.0286  154.252   8.6081  147.703   12.175  238.290   6.6852  232.483   9.6911 5.806702 11.77322 
1 1 1   19    2   46 o  214.376   4.8056  124.901   5.5642  123.336   7.7287  126.585   8.0170  212.998   6.7150  215.753   6.8765 -2.755203 9.611296 
1 1 1   19    2   47 o  202.518   4.9337  111.617   5.3880  121.304   7.7003  102.325   7.5417  211.174   6.7481  193.862   7.1992 17.31190 9.867396 
1 1 1   19    2   48 o  222.008   6.0208  136.402   6.7663  139.501   8.2916  130.225   11.706  226.329   6.7797  217.688   9.9517 8.641754 12.04162 
1 1 1   19    2   49 o  277.738   7.2599  212.653   10.881  210.473   15.757  214.640   15.043  276.222   10.557  279.254   9.9689 -3.031708 14.51984 
1 1 1   19    2   50 o  168.233   7.8544   76.997   7.0696   90.158   10.965   67.635   9.2485  180.242   11.258  156.223   10.956 24.01891 15.70889 
1 1 1   19    2   51 o  161.441   7.1066   70.860   5.7560   75.203   10.389   68.936   6.9144  164.312   11.700  158.570   8.0695 5.742523 14.21328 
1 1 1   19    2   52 o   36.500   10.854   0.6847   3.6722  -0.9321   5.0372   2.5186   5.3649   32.998   14.534   40.002   16.125 -7.003208 21.70841 
1 1 1   19    2   53 o  151.617   5.7308   63.028   4.6862   58.185   6.4306   68.513   6.8433  145.401   8.1846  157.834   8.0238 -12.43343 11.46159 
1 1 1   19    2   54 f   91.636   8.5167   23.906   4.1485   28.531   5.8504   19.228   5.8835  101.040   10.715   82.231   13.241 18.80997 17.03348 
1 1 1   19    2   55 o   84.889   10.117   22.276   4.2612   33.128   6.0055   11.273   6.0472  108.964   10.199   60.815   17.475 48.14964 20.23394 
1 1 1   19    2   56 o   77.933   10.153   19.341   4.3505   34.541   6.1844   4.4510   6.1211  111.013   10.309   44.853   17.494 66.15962 20.30618 
1 1 1   19    2   57 o  175.204   5.8129   85.304   5.5030   84.115   7.7687   86.502   7.7961  173.952   8.2647  176.456   8.1763 -2.503632 11.62572 
1 1 1   19    2   58 o   54.583   12.946   8.8151   4.6489   5.5809   6.4731   12.260   6.6808   47.117   18.096   62.050   18.517 -14.93287 25.89109 
1 1 1   19    2   60 o   95.076   10.360   28.311   5.1205   23.712   7.2655   32.850   7.2177   85.495   16.322  104.657   12.763 -19.16214 20.71943 
1 1 1   19    2   61 o  169.955   6.3899   81.611   5.8623   86.727   8.4872   76.943   8.1069  175.096   8.9702  164.814   9.1027 10.28163 12.77985 
1 1 1   19    2   62 o  146.734   7.1166   62.497   5.6305   63.777   8.2686   61.390   7.6884  147.836   10.351  145.633   9.7699 2.203278 14.23324 
1 1 1   19    3    0 o  847.674   10.306  1945.96   47.207  1950.14   67.007  1941.84   66.516  848.572   14.613  846.775   14.537 1.796936 20.61232 
1 1 1   19    3    1 o  112.791   4.4108   34.041   2.6729   37.699   4.0541   31.227   3.5550  118.098   6.3528  107.485   6.1207 10.61243 8.821629 
1 1 1   19    3    2 o  169.386   3.9149   77.294   3.5739   80.868   5.2901   74.292   4.8474  172.976   5.6597  165.796   5.4106 7.179977 7.829851 
1 1 1   19    3    3 o  465.448   6.0800  585.400   15.283  596.323   22.078  575.351   21.175  469.609   8.7005  461.286   8.4952 8.323059 12.16001 
1 1 1   19    3    4 o  471.078   6.1413  600.056   15.633  599.373   22.183  600.730   22.034  470.811   8.7194  471.346   8.6508 -0.5354004 12.28265 
1 1 1   19    3    5 o  402.859   6.7168  441.061   13.882  445.880   17.175  431.982   23.576  406.108   7.8267  399.609   10.918 6.499237 13.43351 
1 1 1   19    3    6 o  638.693   7.9461  1103.41   27.420  1112.60   39.191  1094.60   38.377  641.292   11.309  636.094   11.165 5.197510 15.89225 
1 1 1   19    3    7 o  336.676   6.1438  299.220   10.069  323.198   19.278  290.225   11.808  345.678   10.321  327.673   6.6685 18.00479 12.28763 
1 1 1   19    3    8 o  480.431   6.2563  623.777   16.237  610.212   22.641  638.142   23.299  475.057   8.8199  485.805   8.8755 -10.74811 12.51264 
1 1 1   19    3    9 o  318.501   4.7300  273.349   8.1169  284.811   12.035  263.785   10.993  324.604   6.8615  312.399   6.5123 12.20490 9.459914 
1 1 1   19    3   10 o  665.804   10.062  1196.63   34.073  1209.46   59.358  1190.33   41.612  668.257   16.438  663.351   11.609 4.905640 20.12395 
1 1 1   19    3   11 o  460.527   7.3719  568.282   17.222  558.557   20.919  588.739   30.339  454.539   8.5168  466.516   12.035 -11.97617 14.74370 
1 1 1   19    3   12 o  736.961   11.101  1463.28   41.539  1449.98   50.600  1490.77   72.743  732.095   12.791  741.826   18.147 -9.730713 22.20154 
1 1 1   19    3   13 f  261.727   6.1927  185.133   8.7582   0.0000   0.0000  185.133   8.7582  ?   ?   261.727   6.1927      ?      ? 
1 1 1   19    3   14 o  155.083   4.1838   65.026   3.4988   65.435   4.8040   64.563   5.1059  155.604   5.7134  154.561   6.1134 1.043579 8.367624 
1 1 1   19    3   15 f  269.677   6.3530  196.557   9.2578   0.0000   0.0000  196.557   9.2578  ?   ?   269.677   6.3530      ?      ? 
1 1 1   19    3   16 o  263.839   6.3213  188.142   9.0122   0.0000   0.0000  188.142   9.0122  ?   ?   263.839   6.3213      ?      ? 
1 1 1   19    3   17 o  509.733   6.5789  701.617   18.109  732.684   26.161  673.033   25.093  520.553   9.3003  498.913   9.3076 21.64032 13.15778 
1 1 1   19    3   18 o  1277.30   15.392  4423.36  106.163  4506.49  153.481  4347.09  147.004  1288.73   22.040  1265.86   21.491 22.86438 30.78319 
1 1 1   19    3   20 o   89.678   10.823   21.753   5.2445   0.0000   0.0000   21.753   5.2445  ?   ?    89.678   10.823      ?      ? 
1 1 1   19    3   21 o  613.744   11.032  1019.00   36.587   0.0000   0.0000  1019.00   36.587  ?   ?   613.744   11.032      ?      ? 
1 1 1   19    3   22 o  874.432   15.157  2071.32   71.618   0.0000   0.0000  2071.32   71.618  ?   ?   874.432   15.157      ?      ? 
1 1 1   19    3   23 o  133.975   9.1048   48.545   6.5915   0.0000   0.0000   48.545   6.5915  ?   ?   133.975   9.1048      ?      ? 
1 1 1   19    3   24 o  260.592   5.6558  183.546   7.9641  183.546   7.9641   0.0000   0.0000  260.592   5.6558  ?   ?       ?      ? 
1 1 1   19    3   26 o  216.708   4.8317  129.639   5.4004  136.771   6.8066  117.521   8.8720  224.945   5.5997  208.471   7.8756 16.47421 9.663484 
1 1 1   19    3   27 o  209.685   6.0373  122.099   5.9346  125.522   6.9102  112.478   11.585  215.490   5.9343  203.880   10.516 11.60947 12.07457 
1 1 1   19    3   28 o  302.590   4.7434  247.060   7.7483  260.398   11.249  235.020   10.688  310.345   6.7080  294.834   6.7085 15.51028 9.486883 
1 1 1   19    3   29 o  483.497   6.3447  632.481   16.576  638.277   23.532  626.773   23.353  485.696   8.9663  481.299   8.9793 4.397827 12.68945 
1 1 1   19    3   30 o  232.315   4.4395  145.924   5.5708  145.938   7.7667  145.908   7.9949  232.330   6.1865  232.301   6.3691 0.2909851E-01 8.879050 
1 1 1   19    3   31 o  488.692   6.4362  646.105   16.990  636.408   23.658  656.433   24.416  484.914   9.0286  492.470   9.1750 -7.556396 12.87230 
1 1 1   19    3   32 o  302.788   4.7907  248.023   7.8347  248.887   10.924  247.108   11.242  303.337   6.6648  302.239   6.8837 1.097687 9.581455 
1 1 1   19    3   33 o  179.357   4.6033   87.099   4.4525   88.452   6.1341   85.592   6.4733  180.839   6.2773  177.876   6.7347 2.963043 9.206530 
1 1 1   19    3   34 o  469.499   6.2494  596.902   15.852  593.753   22.190  600.184   22.654  468.243   8.7701  470.755   8.9055 -2.512024 12.49887 
1 1 1   19    3   35 o  614.751   7.7780  1025.48   25.838  1030.47   36.621  1020.53   36.460  616.241   10.997  613.261   11.002 2.979431 15.55609 
1 1 1   19    3   36 o  388.326   5.5110  408.459   11.564  413.103   16.367  403.830   16.340  390.535   7.7556  386.117   7.8317 4.417877 11.02202 
1 1 1   19    3   37 o   76.326   8.4199   16.563   3.2767   18.897   4.3515   13.506   4.9796   83.451   9.6499   69.200   13.801 14.25072 16.83975 
1 1 1   19    3   38 o   97.668   6.5898   25.446   3.4470   21.771   4.5548   30.371   5.2733   89.553   9.4124  105.783   9.2253 -16.22941 13.17954 
1 1 1   19    3   39 o  300.342   4.9368  242.773   7.9841  269.572   11.865  220.597   10.793  315.386   6.9621  285.297   7.0012 30.08890 9.873542 
1 1 1   19    3   40 o  163.170   6.3674   72.061   5.5783   70.180   7.4360   74.482   8.4361  160.785   8.5587  165.555   9.4301 -4.770355 12.73486 
1 1 1   19    3   41 f  105.876   7.9696   29.943   4.5097   26.239   5.8771   35.248   7.0328   98.093   11.088  113.658   11.451 -15.56487 15.93911 
1 1 1   19    3   42 o  238.556   6.2926  155.102   8.0931  159.482   11.174  150.270   11.737  242.170   8.5391  234.942   9.2451 7.228439 12.58522 
1 1 1   19    3   43 o  105.310   7.9627   31.761   4.1511   34.389   5.0845   26.509   7.1886  112.437   8.3686   98.182   13.549 14.25519 15.92547 
1 1 1   19    3   44 o   91.969   7.4088   22.980   3.6504   22.107   4.8179   24.156   5.5935   89.988   9.9080   93.951   11.018 -3.962860 14.81760 
1 1 1   19    3   45 o  105.929   6.8103   31.022   3.8480   33.689   5.1979   27.789   5.7238  111.141   8.6550  100.717   10.517 10.42403 13.62051 
1 1 1   19    3   46 o   61.044   10.595   10.550   3.5056   7.8158   4.7108   13.945   5.2480   52.452   15.526   69.636   14.421 -17.18414 21.19017 
1 1 1   19    3   47 o   51.332   11.386   7.2542   3.5205   6.0587   4.7565   8.7025   5.2354   47.508   15.824   55.155   16.377 -7.647533 22.77257 
1 1 1   19    3   48 o  124.416   6.1084   42.389   4.0938   42.550   5.5798   42.201   6.0247  124.738   8.2781  124.093   8.9846 0.6446152 12.21680 
1 1 1   19    3   49 o   60.724   10.172   9.3586   3.7889   2.3114   4.9819   19.027   5.8352   38.869   15.584   82.580   13.077 -43.71130 20.34349 
1 1 1   19    3   50 o   72.984   13.159   15.363   5.8720   26.869   8.5067   4.8896   8.1157   95.531   17.107   50.438   19.999 45.09365 26.31779 
1 1 1   19    3   51 o  105.107   11.157   32.370   6.0669   27.252   8.8818   36.847   8.3068   95.770   17.819  114.445   13.432 -18.67472 22.31425 
1 1 1   19    3   52 o  118.432   8.7338   39.111   5.1857   40.113   9.2768   38.656   6.2541  118.698   14.463  118.166   9.7945 0.5325851 17.46766 
1 1 1   19    3   53 o   43.530   11.670   4.2116   3.8296   5.7151   5.3342   2.6122   5.5014   46.693   16.697   40.368   16.309 6.325817 23.34048 
1 1 1   19    3   54 o  269.956   5.1438  199.978   7.5025  204.460   10.679  195.610   10.542  272.962   7.2402  266.951   7.3084 6.011841 10.28753 
1 1 1   19    3   55 o  198.967   5.4648  109.125   5.8686  114.735   8.2821  103.467   8.3171  204.215   7.5052  193.719   7.9453 10.49608 10.92957 
1 1 1   19    3   56 o  158.659   6.1363   69.903   5.2534   72.065   7.3172   67.603   7.5471  161.327   8.3936  155.992   8.9534 5.334213 12.27260 
1 1 1   19    3   57 o   49.202   12.365   6.3759   4.4466   10.646   6.1942   1.8358   6.3870   58.135   17.931   40.270   17.031 17.86541 24.73055 
1 1 1   19    3   58 o   78.751   12.067   19.350   4.9941   17.023   7.0074   21.751   7.1195   73.350   17.849   84.152   16.245 -10.80202 24.13467 
1 1 1   19    3   59 o   23.184   11.691 -20.3413   6.8411   0.0000   0.0000 -20.3413   6.8411  ?   ?    23.184   11.691      ?      ? 
1 1 1   19    3   60 o  262.611   5.6888  194.496   8.0726  193.515   11.399  195.483   11.434  261.935   8.0537  263.287   8.0365 -1.352173 11.37751 
1 1 1   19    3   61 o   53.631   13.351   9.0746   5.0958   4.5500   7.4440   13.065   6.9905   45.337   18.721   61.926   19.041 -16.58878 26.70240 
1 1 1   19    4    0 o  794.964   9.7171  1710.47   41.735  1688.61   58.376  1733.34   59.690  789.775   13.679  800.153   13.805 -10.37756 19.43419 
1 1 1   19    4    1 o  206.907   5.6132  115.705   6.2759   0.0000   0.0000  115.705   6.2759  ?   ?   206.907   5.6132      ?      ? 
1 1 1   19    4    2 o  326.741   4.8135  288.628   8.4974  283.474   12.039  293.744   11.996  323.832   6.8797  329.650   6.7341 -5.817383 9.626993 
1 1 1   19    4    3 f  914.682   11.080  2266.20   54.762  2270.65   77.734  2261.81   77.158  915.566   15.712  913.797   15.626 1.769409 22.15934 
1 1 1   19    4    4 o  189.445   5.1483   96.971   4.9488   96.878   6.0358   97.162   8.6441  189.324   5.8998  189.566   8.4386 -0.2415466 10.29652 
1 1 1   19    4    5 o  651.486   8.1000  1147.32   28.499  1121.05   39.495  1175.85   41.164  643.720   11.354  659.252   11.555 -15.53247 16.19998 
1 1 1   19    4    6 o  497.782   7.9990  674.720   20.259  657.207   34.940  683.590   24.865  492.774   13.122  502.790   9.1521 -10.01584 15.99798 
1 1 1   19    4    7 o  385.961   5.3329  402.213   11.109  412.181   16.186  393.337   15.274  390.473   7.6713  381.449   7.4103 9.023163 10.66584 
1 1 1   19    4    9 o  701.370   8.6590  1330.74   32.816  1318.97   46.131  1342.80   46.691  698.232   12.226  704.507   12.265 -6.275696 17.31804 
1 1 1   19    4   10 o  505.855   7.8349  702.123   20.748  649.099   33.099  736.446   26.630  489.822   12.505  521.888   9.4428 -32.06586 15.66981 
1 1 1   19    4   11 o  541.411   8.2826  805.151   23.554  736.036   37.113  851.768   30.480  521.575   13.168  561.247   10.050 -39.67291 16.56517 
1 1 1   19    4   12 o  183.139   6.9259   90.653   6.8540   0.0000   0.0000   90.653   6.8540  ?   ?   183.139   6.9259      ?      ? 
1 1 1   19    4   13 o  818.199   12.229  1801.48   50.659  1780.51   61.505  1845.72   89.332  811.167   14.032  825.232   20.033 -14.06482 24.45821 
1 1 1   19    4   14 o  745.920   9.1874  1504.11   37.005  1536.44   53.561  1474.59   51.186  753.570   13.153  738.270   12.831 15.29944 18.37478 
1 1 1   19    4   15 o  795.132   9.7537  1710.18   41.894  1681.74   58.345  1740.44   60.193  788.321   13.697  801.943   13.890 -13.62177 19.50742 
1 1 1   19    4   16 o  648.162   11.572  1136.41   40.530   0.0000   0.0000  1136.41   40.530  ?   ?   648.162   11.572      ?      ? 
1 1 1   19    4   17 f  1035.26   17.778  2903.78   99.451   0.0000   0.0000  2903.78   99.451  ?   ?   1035.26   17.778      ?      ? 
1 1 1   19    4   19 o  145.165   8.4444   56.972   6.6240   0.0000   0.0000   56.972   6.6240  ?   ?   145.165   8.4444      ?      ? 
1 1 1   19    4   21 o  767.407   13.459  1594.27   55.810   0.0000   0.0000  1594.27   55.810  ?   ?   767.407   13.459      ?      ? 
1 1 1   19    4   23 o   88.957   14.306   21.433   6.8767   0.0000   0.0000   21.433   6.8767  ?   ?    88.957   14.306      ?      ? 
1 1 1   19    4   24 o  224.452   8.0435  136.219   9.7556   0.0000   0.0000  136.219   9.7556  ?   ?   224.452   8.0435      ?      ? 
1 1 1   19    4   27 o  191.074   5.9921   85.721   4.5811   80.207   4.9438  119.212   12.184  172.263   5.3111  209.886   10.743 -37.62291 11.98418 
1 1 1   19    4   28 o  511.540   6.6490  707.775   18.375  720.195   26.301  695.932   25.683  515.920   9.4343  507.160   9.3717 8.760040 13.29791 
1 1 1   19    4   29 o  221.432   4.3696  132.603   5.2235  133.404   7.2448  131.736   7.5383  222.132   6.0357  220.732   6.3200 1.399597 8.739109 
1 1 1   19    4   30 f  505.809   6.6237  692.215   18.101  701.342   25.879  683.473   25.327  509.069   9.4077  502.549   9.3267 6.519806 13.24731 
1 1 1   19    4   31 o  483.711   6.3868  633.304   16.692  630.486   23.388  636.229   23.830  482.621   8.9679  484.801   9.0963 -2.180084 12.77365 
1 1 1   19    4   32 o   89.607   6.5752   21.991   3.1473   24.294   4.3001   19.334   4.6188   94.737   8.3999   84.478   10.118 10.25925 13.15046 
1 1 1   19    4   33 o  671.781   8.3983  1223.47   30.475  1247.94   43.839  1200.58   42.394  678.259   11.961  665.303   11.792 12.95624 16.79669 
1 1 1   19    4   34 o  189.501   4.6603   97.312   4.7634  103.367   6.7045   91.141   6.7689  195.472   6.3474  183.531   6.8253 11.94133 9.320619 
1 1 1   19    4   35 o  179.717   4.6463   87.049   4.4967   83.354   6.0666   91.555   6.6990  175.508   6.3968  183.925   6.7404 -8.416580 9.292529 
1 1 1   19    4   36 o   85.958   7.1807   19.782   3.3123   17.223   4.4098   23.095   5.0175   79.662   10.244   92.255   10.065 -12.59331 14.36135 
1 1 1   19    4   37 o  455.141   7.4129  563.173   17.450  560.811   29.234  564.481   21.750  454.050   11.915  456.232   8.8224 -2.181671 14.82586 
1 1 1   19    4   38 o  162.825   6.1353   71.670   5.3701   69.459   7.1893   74.459   8.0769  160.024   8.3140  165.626   9.0246 -5.601746 12.27060 
1 1 1   19    4   39 o  102.343   7.9112   28.648   4.3402   29.617   5.8427   27.455   6.4833  104.340   10.363  100.346   11.957 3.994461 15.82230 
1 1 1   19    4   40 o  273.933   5.7280  203.546   8.0312  203.355   9.8836  203.919   13.779  273.936   6.6769  273.931   9.3089 0.5523682E-02 11.45591 
1 1 1   19    4   41 o  277.100   4.8576  208.247   7.2678  219.224   10.340  197.527   10.218  284.339   6.7294  269.861   7.0071 14.47806 9.715177 
1 1 1   19    4   42 o  579.312   7.4914  916.096   23.451  918.643   33.165  913.550   33.165  580.126   10.580  578.499   10.609 1.626892 14.98275 
1 1 1   19    4   43 o   81.614   8.2950   18.348   3.6182   19.062   4.8332   17.437   5.4574   83.523   10.709   79.705   12.671 3.818130 16.59009 
1 1 1   19    4   44 o  305.948   5.0387  254.348   8.3262  255.336   11.611  253.301   11.946  306.587   7.0084  305.308   7.2412 1.279419 10.07736 
1 1 1   19    4   45 o  249.202   4.8260  168.931   6.4922  172.080   9.0336  165.568   9.3366  251.645   6.6433  246.760   7.0020 4.886032 9.652020 
1 1 1   19    4   46 o   56.178   10.795   8.3827   3.5538   4.2227   4.6866   14.011   5.4514   42.683   15.597   69.674   14.929 -26.99057 21.59044 
1 1 1   19    4   47 f  304.190   5.0973  251.510   8.3640  243.567   11.429  260.667   12.272  299.077   7.0722  309.303   7.3427 -10.22647 10.19467 
1 1 1   19    4   48 f   46.005   11.085   5.1351   3.6351   8.7518   4.8557   0.5238   5.4829   54.943   15.617   37.067   15.734 17.87629 22.16901 
1 1 1   19    4   49 o  230.811   4.9487  145.377   6.1648  146.661   8.5351  143.977   8.9141  231.935   6.8101  229.687   7.1821 2.248001 9.897493 
1 1 1   19    4   50 o   46.709   12.606   4.9456   4.3422   6.6000   5.0657   0.3626   8.4312   48.924   16.331   44.495   19.209 4.428757 25.21301 
1 1 1   19    4   51 o  292.783   7.6092  237.557   12.029  245.946   17.446  229.955   16.607  297.641   10.847  287.925   10.674 9.716339 15.21846 
1 1 1   19    4   52 o   50.521   14.357   4.5796   6.0249   6.8131   8.7911   2.6014   8.2734   54.233   21.017   46.810   19.566 7.422195 28.71483 
1 1 1   19    4   53 o   64.217   13.778   12.279   4.9832   13.703   8.6812   11.580   6.0856   66.626   21.324   61.809   17.454 4.816273 27.55609 
1 1 1   19    4   54 o   60.257   12.069   11.024   4.1352   12.337   5.6990   9.5651   6.0095   63.880   16.420   56.635   17.694 7.245754 24.13891 
1 1 1   19    4   55 o  138.760   6.4999   53.319   4.8649   49.488   6.6699   57.674   7.1114  133.428   9.2509  144.093   9.1332 -10.66486 12.99981 
1 1 1   19    4   56 o  139.611   6.6731   54.420   5.0201   55.506   6.8918   53.192   7.3271  141.281   9.0273  137.941   9.8299 3.340103 13.34616 
1 1 1   19    4   57 o  237.797   5.5039  157.048   7.0652  160.210   9.8411  153.685   10.150  240.436   7.5745  235.159   7.9873 5.277039 11.00772 
1 1 1   19    4   58 o  179.034   6.2968   89.213   6.0840   84.836   8.3556   94.153   8.8762  174.396   8.8665  183.673   8.9432 -9.276459 12.59350 
1 1 1   19    4   59 o  238.014   5.7475  157.976   7.3877  160.617   10.330  155.212   10.570  240.202   7.9582  235.826   8.2947 4.375870 11.49501 
1 1 1   19    4   60 o  101.139   9.9488   31.124   5.4337   30.010   7.5244   32.339   7.8551   99.285   14.025  102.993   14.114 -3.707672 19.89755 
1 1 1   19    4   61 o  146.631   7.7893   62.630   6.1693   60.359   8.6075   65.030   8.8468  143.842   11.074  149.419   10.957 -5.577698 15.57853 
1 1 1   19    5    0 o  265.024   6.1324  189.844   8.7822   0.0000   0.0000  189.844   8.7822  ?   ?   265.024   6.1324      ?      ? 
1 1 1   19    5    2 o  553.607   7.0653  827.485   21.104  853.668   30.870  804.508   28.918  561.805   10.169  545.409   9.8120 16.39624 14.13065 
1 1 1   19    5    3 o  429.935   7.1650  498.451   15.641  495.618   19.067  504.279   27.348  428.149   8.2413  431.722   11.723 -3.572906 14.32991 
1 1 1   19    5    4 o  358.662   6.3821  346.047   11.578  342.793   14.052  352.928   20.435  356.099   7.3025  361.224   10.469 -5.124268 12.76420 
1 1 1   19    5    5 o  432.210   7.3004  493.796   15.446  532.207   29.282  478.988   18.181  443.501   12.218  420.918   7.9933 22.58270 14.60076 
1 1 1   19    5    6 o  628.293   9.6483  1085.87   31.576  999.099   50.926  1140.06   40.246  607.408   15.516  649.178   11.473 -41.77002 19.29665 
1 1 1   19    5    7 o  747.147   9.1856  1510.43   37.083  1497.52   52.125  1523.66   52.769  743.916   12.967  750.378   13.014 -6.462158 18.37118 
1 1 1   19    5    9 f  749.316   9.2148  1519.14   37.310  1521.65   53.028  1516.68   52.504  749.924   13.086  748.707   12.978 1.216919 18.42966 
1 1 1   19    5   10 o  326.698   4.8837  288.548   8.6186  285.516   12.313  291.461   12.068  325.013   7.0109  328.383   6.8008 -3.370270 9.767480 
1 1 1   19    5   11 o  608.025   9.1866  1015.51   29.328  929.955   46.286  1072.90   37.909  586.195   14.612  629.855   11.138 -43.65979 18.37322 
1 1 1   19    5   12 f  757.874   11.352  1553.42   43.858  1559.69   75.933  1550.28   53.726  758.768   18.520  756.980   13.135 1.788513 22.70449 
1 1 1   19    5   13 o  549.969   8.5623  809.957   23.943  794.393   29.134  842.342   42.025  542.018   9.9470  557.920   13.940 -15.90198 17.12469 
1 1 1   19    5   14 o  1022.20   17.502  2830.50   96.675   0.0000   0.0000  2830.50   96.675  ?   ?   1022.20   17.502      ?      ? 
1 1 1   19    5   15 o  308.790   10.769  257.883   17.970   0.0000   0.0000  257.883   17.970  ?   ?   308.790   10.769      ?      ? 
1 1 1   19    5   18 o  886.866   15.379  2129.61   73.703   0.0000   0.0000  2129.61   73.703  ?   ?   886.866   15.379      ?      ? 
1 1 1   19    5   20 o  508.640   9.6689  699.687   26.575   0.0000   0.0000  699.687   26.575  ?   ?   508.640   9.6689      ?      ? 
1 1 1   19    5   21 o  345.579   7.8355  322.896   14.632   0.0000   0.0000  322.896   14.632  ?   ?   345.579   7.8355      ?      ? 
1 1 1   19    5   22 o  434.827   8.8148  511.331   20.712   0.0000   0.0000  511.331   20.712  ?   ?   434.827   8.8148      ?      ? 
1 1 1   19    5   24 o   66.432   19.074   12.245   7.2067   0.0000   0.0000   12.245   7.2067  ?   ?    66.432   19.074      ?      ? 
1 1 1   19    5   25 o  106.633   13.744   30.800   7.9192   0.0000   0.0000   30.800   7.9192  ?   ?   106.633   13.744      ?      ? 
1 1 1   19    5   26 o  244.535   8.4054  161.719   11.107   0.0000   0.0000  161.719   11.107  ?   ?   244.535   8.4054      ?      ? 
1 1 1   19    5   27 o  166.387   11.026   74.932   9.9132   74.932   9.9132   0.0000   0.0000  166.387   11.026  ?   ?       ?      ? 
1 1 1   19    5   28 o  516.791   6.7353  722.733   18.809  721.341   26.525  724.141   26.675  516.292   9.5075  517.290   9.5429 -0.9976807 13.47065 
1 1 1   19    5   29 o  239.419   6.2601  154.982   8.0990   0.0000   0.0000  154.982   8.0990  ?   ?   239.419   6.2601      ?      ? 
1 1 1   19    5   30 o  475.804   8.9645  612.666   23.048   0.0000   0.0000  612.666   23.048  ?   ?   475.804   8.9645      ?      ? 
1 1 1   19    5   31 o  152.686   4.7279   63.219   3.8908   67.026   5.4334   59.212   5.5742  157.423   6.3873  147.949   6.9724 9.474579 9.455795 
1 1 1   19    5   32 o  410.485   5.7218  455.488   12.683  471.391   18.361  440.976   17.540  417.324   8.1420  403.645   8.0415 13.67862 11.44367 
1 1 1   19    5   33 o  379.627   7.7729  390.070   15.945   0.0000   0.0000  390.070   15.945  ?   ?   379.627   7.7729      ?      ? 
1 1 1   19    5   34 o  312.518   6.5273  264.016   11.010  279.955   16.027  249.775   15.150  321.428   9.2276  303.608   9.2344 17.82016 13.05460 
1 1 1   19    5   35 o  482.499   8.8697  632.912   23.124  640.991   32.876  625.000   32.533  485.550   12.530  479.448   12.557 6.101379 17.73933 
1 1 1   19    5   36 o   82.707   8.4926   18.205   3.7536   15.282   4.9279   22.245   5.7933   74.959   12.166   90.455   11.852 -15.49625 16.98510 
1 1 1   19    5   37 o  291.132   6.3966  230.000   10.054  231.081   13.941  228.829   14.513  291.872   8.8389  290.392   9.2487 1.480347 12.79320 
1 1 1   19    5   38 o   75.234   8.5840   15.951   3.3073   17.093   4.3090   14.313   5.1596   79.294   10.056   71.173   13.914 8.121468 17.16807 
1 1 1   19    5   39 o   95.274   6.7901   24.298   3.4637   22.038   4.5385   27.450   5.3603   90.064   9.3255  100.483   9.8720 -10.41874 13.58020 
1 1 1   19    5   40 o  348.151   5.2627  328.616   9.8976  340.325   14.157  317.422   13.843  354.222   7.3963  342.079   7.4887 12.14331 10.52548 
1 1 1   19    5   41 o  364.069   5.4220  359.974   10.664  364.511   14.978  355.308   15.187  366.421   7.5646  361.718   7.7699 4.702789 10.84410 
1 1 1   19    5   42 o  189.203   4.8716   97.188   4.9679   97.655   6.7958   96.653   7.2805  189.722   6.6288  188.684   7.1407 1.038315 9.743211 
1 1 1   19    5   43 o  172.612   5.0512   81.121   4.6830   82.910   6.3261   78.952   6.9655  174.776   6.6983  170.447   7.5626 4.329025 10.10249 
1 1 1   19    5   44 o  344.683   5.2940  322.959   9.8566  335.796   14.084  310.638   13.799  351.414   7.4171  337.953   7.5559 13.46112 10.58800 
1 1 1   19    5   45 o  198.607   4.8647  107.434   5.2003  109.473   7.0873  105.056   7.6540  200.714   6.5345  196.501   7.2084 4.212296 9.729381 
1 1 1   19    5   46 o  128.316   6.2434   46.377   4.1901   56.045   5.7122   35.116   6.1649  143.460   7.3686  113.173   10.081 30.28750 12.48682 
1 1 1   19    5   47 o  179.486   5.1949   88.354   5.0068   95.642   6.9129   80.314   7.2613  187.427   6.8256  171.545   7.8333 15.88243 10.38988 
1 1 1   19    5   48 o  245.992   7.1739  165.055   9.5359   0.0000   0.0000  165.055   9.5359  ?   ?   245.992   7.1739      ?      ? 
1 1 1   19    5   49 o   81.012   9.1591   18.745   3.8632   19.867   5.1804   17.339   5.7984   84.646   11.326   77.379   14.397 7.266853 18.31820 
1 1 1   19    5   50 o  201.150   5.1657  111.062   5.5916  118.430   7.7516  103.068   8.0737  208.265   6.8879  194.035   7.7002 14.22977 10.33133 
1 1 1   19    5   51 f   51.103   13.254   5.5045   4.3988   3.7286   5.1610   10.221   8.4105   42.054   16.156   60.152   21.016 -18.09879 26.50868 
1 1 1   19    5   52 o  119.852   10.542   40.937   6.8076   45.473   9.9901   37.005   9.3015  126.135   14.657  113.570   15.157 12.56473 21.08445 
1 1 1   19    5   53 o  116.423   10.809   39.239   6.7483   45.000   9.6263   33.671   9.4630  125.359   14.211  107.488   16.292 17.87172 21.61900 
1 1 1   19    5   54 o  128.862   6.8458   46.333   4.7338   48.266   6.4187   44.027   7.0094  132.064   8.9944  125.660   10.323 6.404289 13.69157 
1 1 1   19    5   55 o   52.065   11.700   6.5049   4.1734   0.7513   5.5542   13.966   6.3247   36.886   15.751   67.243   17.305 -30.35751 23.39993 
1 1 1   19    5   56 o  156.013   6.3181   68.255   5.2809   73.698   7.2240   62.008   7.7393  163.106   8.1963  148.921   9.6174 14.18544 12.63625 
1 1 1   19    5   57 o   84.094   10.687   21.343   4.7189   21.724   6.3699   20.880   7.0250   86.139   13.685   82.050   16.418 4.089310 21.37342 
1 1 1   19    5   59 o   49.499   12.276   5.4768   4.9567   13.924   6.8421  -3.8521   7.1905   64.513   18.603   34.485   16.023 30.02793 24.55180 
1 1 1   19    5   60 o   63.870   12.887   13.256   5.0223   7.0786   6.8842   20.285   7.3431   49.180   18.715   78.560   17.720 -29.37978 25.77325 
1 1 1   19    5   61 o   80.326   11.863   21.900   5.0952   28.753   7.0406   14.363   7.3829   97.217   13.402   63.436   19.578 33.78125 23.72608 
1 1 1   19    6    0 o  343.685   6.9558  319.369   12.916  312.613   18.118  326.351   18.418  339.989   9.8621  347.381   9.8118 -7.392303 13.91160 
1 1 1   19    6    1 o  318.035   6.6425  273.358   11.409  277.928   16.472  269.144   15.816  320.586   9.5087  315.486   9.2776 5.099915 13.28493 
1 1 1   19    6    3 o  923.410   13.840  2287.67   64.140  2247.09   77.164  2378.38  115.368  910.905   15.677  935.916   22.812 -25.01062 27.67929 
1 1 1   19    6    4 o  968.576   14.430  2537.25   70.724  2565.31  124.426  2523.86   85.960  971.870   23.693  965.282   16.480 6.587524 28.86050 
1 1 1   19    6    5 o  793.498   12.191  1634.64   46.507  1862.16   91.913  1556.35   53.919  828.620   20.527  758.377   13.157 70.24304 24.38219 
1 1 1   19    6    7 o  702.779   8.7428  1333.00   33.149  1283.00   45.348  1390.38   48.577  688.672   12.186  716.886   12.540 -28.21417 17.48562 
1 1 1   19    6    8 o  843.484   10.342  1924.24   47.114  1884.86   65.389  1966.76   67.944  834.527   14.500  852.441   14.750 -17.91333 20.68394 
1 1 1   19    6    9 o  302.294   6.6208  246.982   10.815   0.0000   0.0000  246.982   10.815  ?   ?   302.294   6.6208      ?      ? 
1 1 1   19    6   10 o   72.930   6.5650   13.914   2.5222   16.458   4.1669   12.442   3.1686   78.018   9.8839   67.842   8.6434 10.17653 13.13009 
1 1 1   19    6   11 f  182.038   6.4465   89.562   6.3412   89.562   6.3412   0.0000   0.0000  182.038   6.4465  ?   ?       ?      ? 
1 1 1   19    6   12 o  197.323   7.4888  105.248   7.9851  105.248   7.9851   0.0000   0.0000  197.323   7.4888  ?   ?       ?      ? 
1 1 1   19    6   13 o  168.469   4.4740   76.090   4.0338   81.013   6.2234   72.524   5.2972  173.127   6.6523  163.812   5.9843 9.315216 8.947905 
1 1 1   19    6   14 o  471.404   7.5661  593.357   18.249  577.920   22.312  624.549   31.716  462.332   8.9308  480.476   12.216 -18.14441 15.13227 
1 1 1   19    6   15 o  1134.65   13.680  3481.01   83.709  3358.57  114.119  3623.62  123.163  1113.17   18.972  1156.12   19.715 -42.94470 27.36045 
1 1 1   19    6   17 o  326.785   7.7015  288.678   13.600   0.0000   0.0000  288.678   13.600  ?   ?   326.785   7.7015      ?      ? 
1 1 1   19    6   18 o  231.701   7.7748  145.132   9.7343   0.0000   0.0000  145.132   9.7343  ?   ?   231.701   7.7748      ?      ? 
1 1 1   19    6   21 o  240.708   7.8459  156.662   10.205   0.0000   0.0000  156.662   10.205  ?   ?   240.708   7.8459      ?      ? 
1 1 1   19    6   25 o  358.780   8.5898  348.141   16.653   0.0000   0.0000  348.141   16.653  ?   ?   358.780   8.5898      ?      ? 
1 1 1   19    6   27 o   53.311   14.541   5.0436   5.9043   4.4054   8.9457   5.5363   7.8593   53.514   21.067   53.109   20.048 0.4049149 29.08192 
1 1 1   19    6   28 o  445.383   8.9054  537.464   21.431  535.135   30.080  539.865   30.541  444.410   12.526  446.356   12.662 -1.945648 17.81087 
1 1 1   19    6   29 o  707.635   10.634  1379.65   39.530  1261.49   62.257  1459.46   51.167  681.460   16.907  733.809   12.904 -52.34943 21.26851 
1 1 1   19    6   30 o  534.823   8.4089  775.070   23.111  776.351   39.326  774.394   28.564  534.888   13.606  534.758   9.8850 0.1309204 16.81771 
1 1 1   19    6   31 o  433.436   8.1005  506.732   18.908  479.279   25.491  540.315   28.193  420.482   11.219  446.391   11.688 -25.90900 16.20101 
1 1 1   19    6   32 o  353.557   7.0147  338.301   13.393  329.054   18.526  348.423   19.383  348.510   9.8373  358.604   10.003 -10.09421 14.02949 
1 1 1   19    6   33 o  278.147   6.1702  209.049   9.2621  219.212   13.522  200.068   12.712  284.495   8.7962  271.799   8.6553 12.69601 12.34046 
1 1 1   19    6   34 o  254.168   5.3994  176.219   7.2248  180.980   9.2979  168.964   11.478  258.599   6.6538  249.736   8.5054 8.863266 10.79886 
1 1 1   19    6   35 o   92.993   7.1090   24.125   3.4481   30.662   4.8111   17.221   4.9444  106.372   8.3701   79.614   11.493 26.75804 14.21794 
1 1 1   19    6   36 o  250.118   6.7327  169.386   9.0996   0.0000   0.0000  169.386   9.0996  ?   ?   250.118   6.7327      ?      ? 
1 1 1   19    6   37 o  202.910   4.7077  111.693   5.1519  115.202   7.1421  107.885   7.4388  206.257   6.4081  199.563   6.8982 6.693542 9.415372 
1 1 1   19    6   38 o  380.705   5.5451  393.072   11.406  389.646   15.975  396.634   16.290  379.021   7.8000  382.389   7.8836 -3.367737 11.09015 
1 1 1   19    6   39 o  228.136   6.8389  141.053   8.4308   0.0000   0.0000  141.053   8.4308  ?   ?   228.136   6.8389      ?      ? 
1 1 1   19    6   40 o  377.058   5.5229  385.874   11.252  392.928   16.004  378.978   15.823  380.471   7.7844  373.645   7.8367 6.826538 11.04587 
1 1 1   19    6   41 o  229.933   4.7865  143.655   5.9364  148.314   8.2404  138.628   8.5593  233.849   6.5211  226.017   7.0083 7.831833 9.572928 
1 1 1   19    6   42 o  113.678   6.2077   35.407   3.7754   37.105   5.0728   33.298   5.6527  116.823   8.0358  110.534   9.4640 6.288834 12.41539 
1 1 1   19    6   43 o  248.885   4.8086  168.290   6.4609  171.004   8.9898  165.390   9.2919  250.992   6.6283  246.778   6.9681 4.214554 9.617106 
1 1 1   19    6   44 o  241.043   4.8283  157.923   6.2819  167.754   8.9425  148.345   8.8266  248.484   6.6600  233.602   6.9925 14.88280 9.656591 
1 1 1   19    6   45 o   48.012   10.865   6.1585   3.4395   9.2128   4.5704   2.1696   5.2230   56.512   14.793   39.513   15.916 16.99976 21.72952 
1 1 1   19    6   46 o  128.067   6.1757   46.236   4.1349   55.646   5.6209   35.138   6.1043  142.941   7.2771  113.193   9.9799 29.74801 12.35133 
1 1 1   19    6   47 o  100.384   7.1200   27.346   3.8361   24.423   5.0847   31.208   5.8446   94.255   9.9831  106.514   10.155 -12.25838 14.24004 
1 1 1   19    6   48 o  188.254   5.1060   96.384   5.1767   93.086   6.9936  100.380   7.6991  184.758   7.0051  191.749   7.4305 -6.991531 10.21192 
1 1 1   19    6   49 o   85.308   9.2842   21.948   3.9004   28.628   5.2808   13.930   5.7856  101.929   9.5877   68.687   15.902 33.24242 18.56842 
1 1 1   19    6   50 o   32.475   10.193  -2.4481   3.6441  -5.2795   4.8514   1.2176   5.5202   26.797   12.674   38.152   15.967 -11.35449 20.38564 
1 1 1   19    6   51 o   38.543   11.000   1.6392   3.7629   4.6782   4.9847  -2.3870   5.7374   43.805   16.074   33.281   15.022 10.52479 22.00091 
1 1 1   19    6   52 o  119.309   11.579   41.744   7.0784   30.721   9.7326   54.122   10.313  100.714   18.567  137.903   13.840 -37.18899 23.15812 
1 1 1   19    6   53 o  111.336   11.827   36.173   7.1034   33.761   9.7353   38.919   10.388  107.352   16.782  115.321   16.670 -7.968552 23.65426 
1 1 1   19    6   54 o   47.520   12.669  -1.3178   5.1097   14.045   8.7467  -9.2770   6.2957   66.999   21.400   28.041   13.568 38.95869 25.33855 
1 1 1   19    6   55 o   93.952   9.2607   25.489   4.4300   17.954   6.0284   34.334   6.5318   77.478   14.941  110.427   10.946 -32.94849 18.52149 
1 1 1   19    6   56 o  111.050   7.8174   34.964   4.6792   34.364   6.3731   35.666   6.8920  110.186   10.704  111.915   11.396 -1.728607 15.63483 
1 1 1   19    6   57 o   53.219   12.625   8.2904   4.6370   12.522   6.2759   3.2031   6.8812   62.877   17.714   43.561   17.994 19.31559 25.25047 
1 1 1   19    6   58 o  102.100   9.7261   30.921   5.2446   34.858   7.0736   26.115   7.8158  110.408   11.856   93.792   15.421 16.61652 19.45218 
1 1 1   19    6   59 o   88.306   11.147   25.349   5.0567   30.110   6.8759   19.740   7.4627  100.375   12.677   76.238   18.339 24.13715 22.29385 
1 1 1   19    6   60 f   61.525   13.306   12.801   4.8658   13.946   6.5399   11.382   7.2824   64.780   18.024   58.270   19.580 6.510513 26.61297 
1 1 1   19    6   61 o  105.568   9.1155   33.381   5.1297   26.787   6.8970   41.544   7.6739   93.313   13.678  117.823   12.053 -24.50964 18.23105 
1 1 1   19    7    0 o  501.800   7.9887  685.542   20.630  666.441   34.737  695.951   25.642  496.274   12.953  507.327   9.3535 -11.05298 15.97741 
1 1 1   19    7    1 o  1197.48   28.793  3903.15  186.315  3903.15  186.315   0.0000   0.0000  1197.48   28.793  ?   ?       ?      ? 
1 1 1   19    7    2 o  702.678   17.409  1337.61   66.101  1337.61   66.101   0.0000   0.0000  702.678   17.409  ?   ?       ?      ? 
1 1 1   19    7    3 o  232.620   8.0310  146.284   10.095   0.0000   0.0000  146.284   10.095  ?   ?   232.620   8.0310      ?      ? 
1 1 1   19    7    4 o  708.725   17.419  1360.58   66.711   0.0000   0.0000  1360.58   66.711  ?   ?   708.725   17.419      ?      ? 
1 1 1   19    7    5 o  573.355   10.225  889.589   31.677  878.604   44.473  900.901   45.130  569.764   14.445  576.946   14.476 -7.182312 20.45005 
1 1 1   19    7    6 o  634.735   9.7292  1085.22   31.496  1075.30   38.533  1105.18   54.670  630.542   11.309  638.929   15.835 -8.387207 19.45842 
1 1 1   19    7    7 o  241.823   5.2289  156.301   6.6878  149.907   8.5396  166.441   10.755  235.508   6.7103  248.138   8.0210 -12.62944 10.45778 
1 1 1   19    7    8 o  587.833   7.5119  934.219   23.858  919.805   33.438  949.167   34.052  583.216   10.610  592.451   10.636 -9.234436 15.02377 
1 1 1   19    7    9 o  299.381   4.9018  242.331   7.9215  240.506   11.447  244.009   10.974  298.296   7.1014  300.466   6.7588 -2.170135 9.803614 
1 1 1   19    7   10 o  538.423   7.0010  783.845   20.368  775.057   28.701  792.761   28.911  535.382   9.9208  541.464   9.8809 -6.081726 14.00194 
1 1 1   19    7   12 o  153.427   4.6462   62.882   3.8139   68.735   5.9123   58.711   4.9912  159.467   6.8611  147.387   6.2670 12.08041 9.292450 
1 1 1   19    7   13 o  749.687   11.247  1527.33   43.337  1504.05   73.405  1539.78   53.694  745.027   18.233  754.347   13.172 -9.319885 22.49375 
1 1 1   19    7   14 o  786.605   9.7396  1655.84   41.043  1541.12   53.945  1813.53   63.245  754.665   13.229  818.544   14.299 -63.87921 19.47929 
1 1 1   19    7   15 o  1109.12   26.663  3344.59  159.798   0.0000   0.0000  3344.59  159.798  ?   ?   1109.12   26.663      ?      ? 
1 1 1   19    7   16 o  398.675   6.4378  429.594   13.869   0.0000   0.0000  429.594   13.869  ?   ?   398.675   6.4378      ?      ? 
1 1 1   19    7   17 o  463.269   8.9349  580.307   22.367   0.0000   0.0000  580.307   22.367  ?   ?   463.269   8.9349      ?      ? 
1 1 1   19    7   20 o  504.816   9.8643  689.345   26.908   0.0000   0.0000  689.345   26.908  ?   ?   504.816   9.8643      ?      ? 
1 1 1   19    7   23 o  366.486   11.437  363.513   22.650   0.0000   0.0000  363.513   22.650  ?   ?   366.486   11.437      ?      ? 
1 1 1   19    7   24 o  334.419   11.403  302.703   20.606   0.0000   0.0000  302.703   20.606  ?   ?   334.419   11.403      ?      ? 
1 1 1   19    7   29 o  425.983   7.9907  484.187   18.183  540.090   28.431  445.496   23.653  446.421   11.786  405.545   10.793 40.87564 15.98136 
1 1 1   19    7   30 o  307.114   5.6991  257.398   9.3087  268.749   12.289  242.117   14.259  315.175   7.2156  299.052   8.8236 16.12283 11.39823 
1 1 1   19    7   31 f  424.675   8.3697  488.206   19.207   0.0000   0.0000  488.206   19.207  ?   ?   424.675   8.3697      ?      ? 
1 1 1   19    7   32 o  354.792   7.4663  340.668   14.314   0.0000   0.0000  340.668   14.314  ?   ?   354.792   7.4663      ?      ? 
1 1 1   19    7   33 o  340.626   5.2001  314.005   9.5702  318.490   13.672  309.698   13.400  343.008   7.3765  338.244   7.3315 4.763763 10.40020 
1 1 1   19    7   34 o  666.506   8.3879  1206.08   30.190  1234.99   43.652  1179.57   41.799  674.117   11.984  658.896   11.740 15.22095 16.77574 
1 1 1   19    7   35 o  203.038   4.7833  111.231   5.2360  101.350   7.1928  122.368   7.6366  193.472   6.8801  212.604   6.6472 -19.13145 9.566678 
1 1 1   19    7   36 o  429.974   5.9656  500.877   13.854  516.227   19.980  486.664   19.226  436.305   8.4746  423.642   8.3984 12.66321 11.93112 
1 1 1   19    7   37 o  312.127   7.1653  264.051   12.085   0.0000   0.0000  264.051   12.085  ?   ?   312.127   7.1653      ?      ? 
1 1 1   19    7   38 o   77.371   8.6744   16.677   3.4777   12.940   4.8417   20.661   4.9984   67.609   13.722   87.133   10.616 -19.52340 17.34879 
1 1 1   19    7   39 o  171.554   4.9907   79.844   4.6237   82.507   6.5103   77.134   6.5678  174.455   6.9060  168.653   7.2067 5.801529 9.981458 
1 1 1   19    7   40 o  290.402   4.9665  228.682   7.7904  238.072   11.144  219.709   10.894  296.240   6.9619  284.565   7.0849 11.67416 9.932974 
1 1 1   19    7   41 o  134.887   5.5596   49.436   4.0484   49.249   5.6003   49.640   5.8592  134.636   7.6977  135.137   8.0238 -0.5016632 11.11915 
1 1 1   19    7   42 o  201.406   4.8258  110.270   5.2437  113.798   7.2915  106.492   7.5465  204.779   6.5894  198.033   7.0521 6.745453 9.651544 
1 1 1   19    7   43 o   77.980   8.9458   17.507   3.5628   20.980   4.8428   13.409   5.2602   87.597   10.231   68.364   14.678 19.23281 17.89168 
1 1 1   19    7   44 o  239.839   4.8555  156.531   6.2859  164.328   8.8678  148.657   8.9115  245.889   6.6740  233.790   7.0540 12.09886 9.710917 
1 1 1   19    7   45 o  124.743   6.0919   42.902   4.0619   48.864   5.6563   36.553   5.8369  133.895   7.8177  115.590   9.3448 18.30524 12.18371 
1 1 1   19    7   46 o  156.663   5.3754   66.936   4.5417   67.047   6.2349   66.810   6.6290  156.848   7.3564  156.479   7.8398 0.3692169 10.75074 
1 1 1   19    7   47 o  207.183   5.0027  117.120   5.5966  121.634   7.8862  112.540   7.9437  211.251   6.9084  203.115   7.2376 8.136597 10.00542 
1 1 1   19    7   48 o  106.760   7.0001   31.070   3.9915   25.055   5.3801   38.434   5.9528   95.268   10.451  118.253   9.3158 -22.98545 14.00023 
1 1 1   19    7   49 o  161.198   5.5517   71.409   4.8039   81.210   6.8229   61.773   6.7651  172.346   7.3262  150.051   8.3435 22.29468 11.10347 
1 1 1   19    7   50 o   41.332   11.282   3.1256   3.7393   5.6543   5.0293  -0.0003   5.5916   46.365   16.249   36.300   15.657 10.06549 22.56485 
1 1 1   19    7   51 o   49.891   11.095   6.5550   3.9095   11.838   5.2023  -0.2997   5.9256   63.067   15.399   36.714   15.976 26.35271 22.18960 
1 1 1   19    7   52 o   95.006   12.321   31.015   5.1341   35.191   5.9733   19.205   10.045  112.560   9.8207   77.452   22.600 35.10803 24.64156 
1 1 1   19    7   53 o   61.854   15.451   11.081   6.6201   14.421   9.0102   7.1622   9.7590   68.004   21.720   55.704   21.980 12.30038 30.90113 
1 1 1   19    7   54 o  151.697   9.6132   66.058   7.8729   66.329   10.922   65.766   11.358  152.225   13.278  151.169   13.905 1.056396 19.22643 
1 1 1   19    7   55 o   32.808   10.649  -3.4163   4.3177  -2.1713   5.9436  -4.8076   6.2829   33.785   15.266   31.831   14.852 1.954021 21.29859 
1 1 1   19    7   56 o  212.872   5.5806  126.246   6.3936  137.389   8.9765  114.772   9.1087  222.747   7.4577  202.998   8.3038 19.74837 11.16114 
1 1 1   19    7   57 f  107.572   9.8801   35.903   5.1918   45.392   6.9672   24.054   7.7854  126.938   10.157   88.207   16.950 38.73138 19.76029 
1 1 1   19    7   58 o  128.775   8.4777   49.990   5.5172   66.174   7.6036   31.994   8.0178  153.535   9.1649  104.016   14.265 49.51920 16.95533 
1 1 1   19    7   59 o  105.859   9.1714   33.520   5.2231   32.273   7.0179   35.070   7.8202  104.052   12.481  107.666   13.442 -3.613541 18.34289 
1 1 1   19    7   60 o   54.450   13.024   8.8754   4.8838   3.7141   6.5708   15.246   7.3002   42.475   17.568   66.425   19.233 -23.95058 26.04900 
1 1 1   19    8    0 f  467.134   6.3029  589.956   15.910  583.705   22.461  596.251   22.538  464.650   8.9457  469.619   8.8815 -4.969147 12.60583 
1 1 1   19    8    1 o  869.498   13.113  2026.83   57.236  1991.23   68.871  2106.31  102.911  857.717   14.859  881.279   21.610 -23.56110 26.22604 
1 1 1   19    8    2 o  229.834   4.7867  139.878   5.8574  159.473   9.3001  126.995   7.5409  242.900   7.0855  216.767   6.4379 26.13356 9.573442 
1 1 1   19    8    3 o  565.626   9.0250  875.042   26.118  835.360   44.299  896.187   32.337  555.567   14.756  575.686   10.395 -20.11951 18.04992 
1 1 1   19    8    4 o  113.842   6.6258   36.703   3.7550   30.495   6.4425   39.897   4.6210  106.188   11.228  121.495   7.0386 -15.30701 13.25161 
1 1 1   19    8    5 o  414.188   11.324  463.964   25.344  463.964   25.344   0.0000   0.0000  414.188   11.324  ?   ?       ?      ? 
1 1 1   19    8    6 o  199.437   5.7729  107.731   6.2069  103.694   8.9838  111.419   8.5855  195.851   8.4888  203.024   7.8259 -7.172989 11.54576 
1 1 1   19    8    7 o  563.031   10.077  856.939   30.628  878.153   44.496  837.838   42.222  569.633   14.456  556.430   14.043 13.20325 20.15339 
1 1 1   19    8    8 o  629.399   11.100  1072.29   37.749  1059.01   52.927  1086.04   53.857  625.436   15.660  633.361   15.736 -7.924438 22.20094 
1 1 1   19    8    9 o  167.045   5.6923   75.271   5.0980   76.712   7.7405   74.167   6.7751  168.449   8.5037  165.642   7.5693 2.807327 11.38454 
1 1 1   19    8   10 o  758.583   13.132  1556.58   53.749  1608.56   78.648  1511.04   73.624  770.404   18.892  746.763   18.245 23.64142 26.26412 
1 1 1   19    8   11 f  338.576   6.8348  309.523   12.495  295.946   17.302  324.324   18.065  330.826   9.6785  346.325   9.6532 -15.49924 13.66955 
1 1 1   19    8   12 o  768.389   13.279  1599.67   55.120  1620.05   79.075  1580.41   76.875  773.129   18.928  763.649   18.630 9.479675 26.55782 
1 1 1   19    8   13 o  707.625   12.299  1349.24   46.824  1431.98   70.252  1283.11   62.810  726.986   17.883  688.265   16.888 38.72186 24.59705 
1 1 1   19    8   14 o   98.203   6.2858   25.285   3.2066   37.297   4.9931   16.854   4.1832  117.460   7.8668   78.946   9.8060 38.51378 12.57152 
1 1 1   19    8   15 o  710.622   12.333  1359.86   47.136  1286.94   63.084  1452.03   70.924  689.243   16.938  732.000   17.931 -42.75769 24.66561 
1 1 1   19    8   16 o  803.998   13.840  1749.81   60.129   0.0000   0.0000  1749.81   60.129  ?   ?   803.998   13.840      ?      ? 
1 1 1   19    8   18 o  294.118   6.0765  233.824   9.6574   0.0000   0.0000  233.824   9.6574  ?   ?   294.118   6.0765      ?      ? 
1 1 1   19    8   19 o  160.086   6.6942   69.279   5.7908   0.0000   0.0000   69.279   5.7908  ?   ?   160.086   6.6942      ?      ? 
1 1 1   19    8   24 o  617.553   16.864  1034.46   56.276   0.0000   0.0000  1034.46   56.276  ?   ?   617.553   16.864      ?      ? 
1 1 1   19    8   25 o  364.875   13.928  360.811   27.461   0.0000   0.0000  360.811   27.461  ?   ?   364.875   13.928      ?      ? 
1 1 1   19    8   26 o  403.012   9.1158  439.485   19.852   0.0000   0.0000  439.485   19.852  ?   ?   403.012   9.1158      ?      ? 
1 1 1   19    8   27 o  277.368   6.0978  208.001   9.1393   0.0000   0.0000  208.001   9.1393  ?   ?   277.368   6.0978      ?      ? 
1 1 1   19    8   28 o  217.258   10.730  127.838   12.597  127.838   12.597   0.0000   0.0000  217.258   10.730  ?   ?       ?      ? 
1 1 1   19    8   29 o  306.282   4.9516  253.477   8.1873  260.148   11.895  247.472   11.286  310.101   7.0987  302.462   6.9053 7.638977 9.903246 
1 1 1   19    8   30 o  191.961   4.7007   99.376   4.8440  102.232   7.3258   97.157   6.4570  194.393   6.9741  189.528   6.3048 4.864441 9.401490 
1 1 1   19    8   31 o  555.021   7.2355  834.549   21.691  844.319   31.209  825.420   30.169  558.143   10.348  551.898   10.116 6.244019 14.47095 
1 1 1   19    8   32 o  111.384   6.2965   33.715   3.6952   33.126   5.8965   34.095   4.7418  110.547   9.8709  112.221   7.8196 -1.673538 12.59290 
1 1 1   19    8   33 o  281.728   4.8764  214.093   7.4037  224.735   10.966  205.181   10.036  288.126   7.0436  275.329   6.7456 12.79791 9.752741 
1 1 1   19    8   34 o  202.418   6.5106  110.908   7.1212   0.0000   0.0000  110.908   7.1212  ?   ?   202.418   6.5106      ?      ? 
1 1 1   19    8   35 o  266.593   4.8365  192.468   6.9623  192.391   10.038  192.540   9.6652  266.530   6.9695  266.657   6.7077 -0.1269226 9.672961 
1 1 1   19    8   36 o  136.785   5.5201   50.041   4.0501   56.735   6.2015   45.062   5.3483  144.646   7.9342  128.924   7.6769 15.72154 11.04026 
1 1 1   19    8   37 o   77.432   9.2428   17.796   3.5672   11.204   5.3449   23.090   4.7900   62.692   15.787   92.172   9.6172 -29.48021 18.48561 
1 1 1   19    8   38 o  200.397   6.7224  108.832   7.2795   0.0000   0.0000  108.832   7.2795  ?   ?   200.397   6.7224      ?      ? 
1 1 1   19    8   39 o  392.656   5.7016  418.131   12.086  431.413   17.559  406.171   16.662  398.552   8.1530  386.761   7.9724 11.79147 11.40312 
1 1 1   19    8   40 o  277.666   4.9837  209.083   7.4733  213.977   10.793  204.576   10.358  280.773   7.1140  274.559   6.9814 6.213806 9.967395 
1 1 1   19    8   41 o  320.814   5.2112  279.516   9.0325  281.700   12.908  277.421   12.644  322.030   7.4180  319.597   7.3211 2.433136 10.42236 
1 1 1   19    8   42 o  277.553   4.9562  208.620   7.4222  223.465   10.831  195.478   10.191  286.839   6.9878  268.268   7.0303 18.57101 9.912326 
1 1 1   19    8   43 o  165.240   5.2107   74.219   4.6351   83.277   6.6763   65.791   6.4402  175.011   7.0597  155.468   7.6660 19.54251 10.42147 
1 1 1   19    8   44 o   56.360   10.695   9.0006   3.6266   14.035   5.0774   3.7571   5.1818   69.985   13.916   42.735   16.243 27.25008 21.38926 
1 1 1   19    8   45 o  164.496   5.2944   73.742   4.6950   80.502   6.7072   67.248   6.5742  171.937   7.2191  157.054   7.7465 14.88293 10.58883 
1 1 1   19    8   46 f  163.031   5.4229   72.565   4.7644   79.704   6.8129   65.733   6.6653  170.942   7.3756  155.120   7.9518 15.82216 10.84577 
1 1 1   19    8   47 o  132.326   6.0747   47.979   4.3427   48.543   6.1015   47.400   6.1823  133.138   8.4810  131.514   8.6993 1.624100 12.14932 
1 1 1   19    8   48 o   94.627   7.6693   24.910   3.9033   22.825   5.6164   26.858   5.4285   90.643   11.467   98.610   10.188 -7.966873 15.33850 
1 1 1   19    8   49 o  124.893   6.2820   42.895   4.2386   44.115   6.0137   41.692   5.9750  126.681   8.7850  123.105   8.9821 3.576111 12.56398 
1 1 1   19    8   50 o  135.304   6.3221   50.803   4.5877   56.115   6.3701   45.079   6.6126  142.901   8.2494  127.706   9.5824 15.19451 12.64414 
1 1 1   19    8   51 o  231.245   5.1948  146.458   6.4808  158.446   9.3257  135.261   9.0127  240.463   7.1771  222.026   7.5121 18.43695 10.38953 
1 1 1   19    8   52 o  177.727   5.7097   86.998   5.4697   86.909   7.4755   87.101   8.0242  177.749   7.7830  177.704   8.3563 0.4428101E-01 11.41937 
1 1 1   19    8   53 o  202.890   8.6180  116.956   9.3258  138.716   13.259   95.653   13.119  222.481   11.029  183.298   13.245 39.18311 17.23590 
1 1 1   19    8   54 o   53.536   15.215   5.9265   6.7875   2.9504   9.2143   9.4572   10.036   48.269   20.438   58.803   22.545 -10.53374 30.42962 
1 1 1   19    8   55 o  143.455   8.5923   56.997   6.3510   65.113   11.020   52.961   7.7714  149.853   13.609  137.057   10.493 12.79587 17.18468 
1 1 1   19    8   56 o  152.933   6.7100   66.524   5.4649   73.631   7.4266   58.131   8.0707  162.557   8.4547  143.310   10.422 19.24660 13.42002 
1 1 1   19    8   57 o   76.955   12.480   18.120   5.0676   14.518   6.6583   23.079   7.8125   67.759   17.913   86.151   17.381 -18.39242 24.95954 
1 1 1   19    8   58 o   46.285   13.005   5.5683   4.8820   6.5179   6.6088   4.4276   7.2430   47.723   18.295   44.847   18.487 2.875923 26.00919 
1 1 1   19    8   59 o  155.420   6.9025   69.362   5.7337   79.754   8.0566   58.698   8.1618  168.010   8.8742  142.829   10.575 25.18076 13.80509 
1 1 1   19    8   60 o  214.604   5.8727  130.593   6.8081  132.889   9.5740  128.244   9.6832  216.667   8.1774  212.542   8.4311 4.125336 11.74536 
1 1 1   19    9    0 o  317.223   6.4459  268.744   10.323  262.973   12.471  281.306   18.400  311.914   7.3988  322.532   10.557 -10.61832 12.89171 
1 1 1   19    9    1 o  847.308   10.389  1942.98   47.568  1944.77   67.484  1941.22   67.060  847.691   14.733  846.924   14.653 0.7666016 20.77895 
1 1 1   19    9    2 o  307.088   6.6109  245.065   9.6245  275.676   19.399  235.069   11.085  319.267   11.244  294.908   6.9560 24.35931 13.22187 
1 1 1   19    9    3 o  147.837   5.4879   59.282   4.3381   57.614   6.5813   60.563   5.7688  145.987   8.3427  149.688   7.1320 -3.701508 10.97573 
1 1 1   19    9    4 o  750.388   9.3249  1523.50   37.810  1523.22   53.671  1523.78   53.274  750.316   13.238  750.459   13.137 -0.1433105 18.64981 
1 1 1   19    9    6 o  540.009   10.008  788.550   29.203   0.0000   0.0000  788.550   29.203  ?   ?   540.009   10.008      ?      ? 
1 1 1   19    9    7 o  453.195   6.2594  554.264   15.296  570.395   22.496  540.393   20.861  459.309   9.0639  447.081   8.6350 12.22781 12.51870 
1 1 1   19    9    8 o  259.447   4.9083  181.900   6.8611  182.516   10.105  181.374   9.3454  259.850   7.1968  259.044   6.6763 0.8060608 9.816649 
1 1 1   19    9    9 o  655.070   8.2940  1160.75   29.358  1150.93   41.388  1170.71   41.651  652.278   11.742  657.862   11.717 -5.583923 16.58796 
1 1 1   19    9   10 o  511.041   9.5580  706.184   26.394   0.0000   0.0000  706.184   26.394  ?   ?   511.041   9.5580      ?      ? 
1 1 1   19    9   12 o   67.610   9.0776   12.740   3.1892   13.406   4.6892   12.167   4.3503   69.264   13.006   65.955   12.667 3.308540 18.15524 
1 1 1   19    9   13 f  550.668   7.2987  820.034   21.717  806.455   30.584  833.843   30.842  546.068   10.365  555.267   10.279 -9.199463 14.59745 
1 1 1   19    9   14 o  397.122   10.793  426.577   23.160  426.577   23.160   0.0000   0.0000  397.122   10.793  ?   ?       ?      ? 
1 1 1   19    9   15 o  562.809   8.1926  874.693   22.679  813.739   41.105  901.367   27.192  548.253   13.875  577.366   8.7157 -29.11316 16.38523 
1 1 1   19    9   16 o  329.439   6.9050  293.388   12.292   0.0000   0.0000  293.388   12.292  ?   ?   329.439   6.9050      ?      ? 
1 1 1   19    9   17 o  542.623   9.9756  796.477   29.250   0.0000   0.0000  796.477   29.250  ?   ?   542.623   9.9756      ?      ? 
1 1 1   19    9   18 o  522.408   9.9416  738.242   28.064   0.0000   0.0000  738.242   28.064  ?   ?   522.408   9.9416      ?      ? 
1 1 1   19    9   19 o  454.902   6.3054  559.370   15.499   0.0000   0.0000  559.370   15.499  ?   ?   454.902   6.3054      ?      ? 
1 1 1   19    9   20 o  610.485   7.8508  1007.71   25.899   0.0000   0.0000  1007.71   25.899  ?   ?   610.485   7.8508      ?      ? 
1 1 1   19    9   21 f  1197.94   16.616  3891.66  107.559   0.0000   0.0000  3891.66  107.559  ?   ?   1197.94   16.616      ?      ? 
1 1 1   19    9   22 o  677.104   9.7418  1240.32   35.644   0.0000   0.0000  1240.32   35.644  ?   ?   677.104   9.7418      ?      ? 
1 1 1   19    9   23 o  165.496   4.5854   74.022   4.1006   0.0000   0.0000   74.022   4.1006  ?   ?   165.496   4.5854      ?      ? 
1 1 1   19    9   24 o  696.519   9.9830  1312.87   37.573   0.0000   0.0000  1312.87   37.573  ?   ?   696.519   9.9830      ?      ? 
1 1 1   19    9   25 o  670.442   9.6568  1216.50   34.985   0.0000   0.0000  1216.50   34.985  ?   ?   670.442   9.6568      ?      ? 
1 1 1   19    9   26 o  265.797   5.1077  190.969   7.3361   0.0000   0.0000  190.969   7.3361  ?   ?   265.797   5.1077      ?      ? 
1 1 1   19    9   27 o  107.859   7.1863   31.466   4.1884   0.0000   0.0000   31.466   4.1884  ?   ?   107.859   7.1863      ?      ? 
1 1 1   19    9   28 f  119.792   8.1987   40.041   3.1531   37.500   9.9030   40.327   3.3263  117.451   15.604  122.132   5.0401 -4.681412 16.39730 
1 1 1   19    9   29 o  409.175   7.2618  456.904   15.002  444.369   26.247  462.986   18.284  404.766   12.000  413.585   8.1810 -8.818909 14.52367 
1 1 1   19    9   30 o  457.160   8.7349  565.917   21.578   0.0000   0.0000  565.917   21.578  ?   ?   457.160   8.7349      ?      ? 
1 1 1   19    9   31 o  405.918   5.7743  445.145   12.642  461.889   18.573  430.690   17.256  412.997   8.3223  398.838   8.0068 14.15869 11.54855 
1 1 1   19    9   32 o  487.903   6.5413  645.170   17.244  636.221   24.190  654.417   24.589  484.466   9.2404  491.341   9.2611 -6.875549 13.08260 
1 1 1   19    9   33 o  280.861   4.9386  212.260   7.4550  225.787   11.261  201.704   9.9472  288.758   7.2167  272.963   6.7438 15.79565 9.877244 
1 1 1   19    9   34 o  256.969   6.5856  178.780   9.1446   0.0000   0.0000  178.780   9.1446  ?   ?   256.969   6.5856      ?      ? 
1 1 1   19    9   35 o  225.129   6.4886  137.258   7.8936   0.0000   0.0000  137.258   7.8936  ?   ?   225.129   6.4886      ?      ? 
1 1 1   19    9   36 o  129.557   7.4794   45.512   5.2362   0.0000   0.0000   45.512   5.2362  ?   ?   129.557   7.4794      ?      ? 
1 1 1   19    9   37 o   86.344   7.9542   20.656   3.5822   18.882   5.7426   21.786   4.5833   83.154   12.780   89.533   9.4734 -6.379280 15.90837 
1 1 1   19    9   38 o  329.579   5.2609  294.653   9.3662  296.401   13.436  293.002   13.063  330.514   7.5232  328.644   7.3559 1.870087 10.52178 
1 1 1   19    9   39 o  437.109   6.1253  519.634   14.468  516.500   20.460  522.768   20.461  435.783   8.6884  438.436   8.6366 -2.653290 12.25068 
1 1 1   19    9   40 o   71.059   9.9903   15.081   3.6193   10.721   5.7899   17.878   4.6369   61.209   16.934   80.910   10.606 -19.70112 19.98067 
1 1 1   19    9   41 o  208.182   4.9535  117.368   5.5532  121.414   8.2574  114.027   7.5033  211.414   7.2281  204.949   6.7751 6.464966 9.906970 
1 1 1   19    9   42 o  135.613   5.8275   49.660   4.2512   55.006   6.3881   45.410   5.6954  142.097   8.3196  129.129   8.1624 12.96800 11.65500 
1 1 1   19    9   43 o  163.878   5.3054   73.043   4.6857   74.079   6.9037   72.158   6.3803  164.914   7.7470  162.843   7.2508 2.070572 10.61085 
1 1 1   19    9   44 o   46.881   11.057   5.3143   3.6648   0.3140   5.4901   9.3334   4.9221   36.910   15.708   56.852   15.566 -19.94252 22.11418 
1 1 1   19    9   45 o  147.030   5.6904   59.158   4.5083   56.973   6.5498   61.125   6.2149  144.376   8.3954  149.685   7.6837 -5.308395 11.38079 
1 1 1   19    9   46 f   51.892   11.727   7.4161   3.7347   9.2168   5.5240   5.8999   5.0687   56.437   16.837   47.348   16.328 9.089081 23.45397 
1 1 1   19    9   47 o  245.985   5.0392  164.827   6.6910  172.654   9.7419  157.837   9.2058  251.487   7.1687  240.483   7.0842 11.00409 10.07849 
1 1 1   19    9   48 o  129.179   6.4032   45.940   4.4638   45.222   6.4504   46.601   6.1835  128.141   9.3155  130.217   8.7879 -2.075378 12.80647 
1 1 1   19    9   49 o   71.765   10.905   15.187   4.1029   15.872   5.8684   14.531   5.7385   73.425   15.288   70.106   15.555 3.318283 21.80971 
1 1 1   19    9   50 o  290.571   7.5757  231.585   11.895   0.0000   0.0000  231.585   11.895  ?   ?   290.571   7.5757      ?      ? 
1 1 1   19    9   51 o  129.240   6.8608   46.374   4.7900   46.691   6.7085   46.043   6.8415  129.739   9.5690  128.741   9.8344 0.9979553 13.72153 
1 1 1   19    9   52 f  165.919   5.9686   76.104   5.3397   79.534   7.4340   72.447   7.6748  169.926   8.0960  161.911   8.7721 8.015808 11.93713 
1 1 1   19    9   53 o  107.129   13.784   35.375   7.6092   20.446   10.277   53.491   11.321   78.902   22.812  135.355   15.478 -56.45399 27.56775 
1 1 1   19    9   54 o  168.655   10.015   84.264   8.8662   96.126   11.883   69.369   13.316  183.989   11.952  153.321   16.073 30.66800 20.02971 
1 1 1   19    9   55 o  228.106   7.2053  140.248   8.1823  165.180   15.284  130.232   9.6875  239.948   11.788  216.264   8.2897 23.68317 14.41068 
1 1 1   19    9   56 o   63.154   12.895   12.876   4.9687   17.456   6.6643   7.1442   7.4557   74.864   16.877   51.443   19.501 23.42105 25.78971 
1 1 1   19    9   57 o  143.517   7.5592   59.109   5.7878   64.008   7.8319   53.215   8.5909  150.811   9.6105  136.223   11.671 14.58725 15.11848 
1 1 1   19    9   58 o  201.369   6.0854  114.419   6.5994  107.734   8.8980  122.593   9.8389  195.048   8.4423  207.691   8.7668 -12.64293 12.17083 
1 1 1   19    9   59 o  134.465   7.6096   52.328   5.5198   54.169   7.6908   50.371   7.9268  137.220   10.372  131.710   11.138 5.509460 15.21928 
1 1 1   19   10    0 o  1160.42   13.986  3649.68   87.687  3611.70  122.850  3689.13  125.201  1154.28   19.696  1166.56   19.862 -12.27466 27.97160 
1 1 1   19   10    1 o  213.391   7.3552  117.241   7.0855  134.009   15.406  112.743   7.9795  222.553   12.811  204.230   7.2305 18.32338 14.71035 
1 1 1   19   10    2 o  612.253   7.9049  1013.81   26.148  1017.58   37.377  1010.19   36.592  613.363   11.277  611.144   11.080 2.219299 15.80980 
1 1 1   19   10    3 o  706.391   12.516  1350.01   47.776   0.0000   0.0000  1350.01   47.776  ?   ?   706.391   12.516      ?      ? 
1 1 1   19   10    4 o  303.783   7.4042  249.455   12.154   0.0000   0.0000  249.455   12.154  ?   ?   303.783   7.4042      ?      ? 
1 1 1   19   10    5 o  986.130   11.986  2633.62   63.863  2607.58   89.565  2660.56   91.087  981.180   16.893  991.081   17.008 -9.901550 23.97178 
1 1 1   19   10    7 o  547.988   7.2194  812.087   21.376  811.525   30.431  812.635   30.033  547.797   10.280  548.179   10.139 -0.3812866 14.43883 
1 1 1   19   10    8 o  593.219   7.6767  951.089   24.598  927.542   34.193  976.347   35.413  585.617   10.805  600.821   10.907 -15.20355 15.35346 
1 1 1   19   10   10 o  725.542   12.895  1424.41   50.555   0.0000   0.0000  1424.41   50.555  ?   ?   725.542   12.895      ?      ? 
1 1 1   19   10   11 o  128.073   6.2784   44.298   4.3424   45.959   6.2726   42.770   6.0176  130.376   8.9036  125.771   8.8543 4.604836 12.55677 
1 1 1   19   10   12 o  552.984   10.275  827.047   30.704   0.0000   0.0000  827.047   30.704  ?   ?   552.984   10.275      ?      ? 
1 1 1   19   10   13 o  651.777   8.3768  1149.24   29.500  1131.37   41.402  1167.66   42.045  646.633   11.849  656.922   11.844 -10.28882 16.75353 
1 1 1   19   10   14 o  261.436   7.1739  184.772   10.135   0.0000   0.0000  184.772   10.135  ?   ?   261.436   7.1739      ?      ? 
1 1 1   19   10   15 o  590.177   9.1506  942.068   27.671  945.721   47.409  940.181   34.077  590.858   14.849  589.496   10.698 1.361694 18.30115 
1 1 1   19   10   16 o  486.121   7.7046  638.942   20.239   0.0000   0.0000  638.942   20.239  ?   ?   486.121   7.7046      ?      ? 
1 1 1   19   10   17 o  381.519   7.6854  393.547   15.844   0.0000   0.0000  393.547   15.844  ?   ?   381.519   7.6854      ?      ? 
1 1 1   19   10   18 o  435.889   6.2576  513.586   14.739   0.0000   0.0000  513.586   14.739  ?   ?   435.889   6.2576      ?      ? 
1 1 1   19   10   19 o  528.338   7.0836  754.680   20.223   0.0000   0.0000  754.680   20.223  ?   ?   528.338   7.0836      ?      ? 
1 1 1   19   10   20 o  633.687   9.2356  1086.21   31.625   0.0000   0.0000  1086.21   31.625  ?   ?   633.687   9.2356      ?      ? 
1 1 1   19   10   21 o  450.502   6.4165  548.651   15.620   0.0000   0.0000  548.651   15.620  ?   ?   450.502   6.4165      ?      ? 
1 1 1   19   10   22 o  429.435   6.8132  498.588   15.810   0.0000   0.0000  498.588   15.810  ?   ?   429.435   6.8132      ?      ? 
1 1 1   19   10   23 o  257.301   5.0211  178.947   6.9811   0.0000   0.0000  178.947   6.9811  ?   ?   257.301   5.0211      ?      ? 
1 1 1   19   10   24 o  149.388   5.0302   60.324   4.0606   0.0000   0.0000   60.324   4.0606  ?   ?   149.388   5.0302      ?      ? 
1 1 1   19   10   25 o  502.177   7.6125  682.083   20.657   0.0000   0.0000  682.083   20.657  ?   ?   502.177   7.6125      ?      ? 
1 1 1   19   10   26 o  346.335   6.6360  324.387   12.419   0.0000   0.0000  324.387   12.419  ?   ?   346.335   6.6360      ?      ? 
1 1 1   19   10   27 o  393.970   6.3910  419.794   13.606   0.0000   0.0000  419.794   13.606  ?   ?   393.970   6.3910      ?      ? 
1 1 1   19   10   28 o  261.586   5.9406  177.789   6.2719  196.599   15.694  174.213   6.8420  269.328   10.783  253.843   4.9880 15.48453 11.88115 
1 1 1   19   10   29 o  314.341   6.5491  264.414   10.075  275.225   18.951  260.154   11.896  318.605   11.007  310.076   7.0995 8.528717 13.09828 
1 1 1   19   10   30 f  125.751   6.2442   43.423   3.9967   41.043   6.8308   44.662   4.9283  123.038   10.274  128.464   7.0995 -5.426399 12.48838 
1 1 1   19   10   31 o  402.983   8.1151  439.872   17.671   0.0000   0.0000  439.872   17.671  ?   ?   402.983   8.1151      ?      ? 
1 1 1   19   10   32 f  387.601   7.9082  406.995   16.563   0.0000   0.0000  406.995   16.563  ?   ?   387.601   7.9082      ?      ? 
1 1 1   19   10   33 o  149.060   5.6391   60.928   4.3901   57.298   7.0793   63.196   5.5961  145.348   9.0135  152.772   6.7789 -7.424164 11.27815 
1 1 1   19   10   34 o  313.171   5.1520  265.636   8.6976  267.434   12.770  264.080   11.879  314.129   7.5231  312.213   7.0411 1.916138 10.30403 
1 1 1   19   10   35 o  229.178   4.9330  140.770   6.0338  152.058   9.4339  132.955   7.8490  236.826   7.3718  221.530   6.5569 15.29590 9.865899 
1 1 1   19   10   36 o  268.881   6.8095  195.920   9.8938   0.0000   0.0000  195.920   9.8938  ?   ?   268.881   6.8095      ?      ? 
1 1 1   19   10   37 f  170.360   5.2857   78.338   4.7627   80.641   7.6035   76.850   6.1098  172.343   8.1646  168.376   6.7152 3.967270 10.57137 
1 1 1   19   10   38 o  299.008   7.0125  242.575   11.330   0.0000   0.0000  242.575   11.330  ?   ?   299.008   7.0125      ?      ? 
1 1 1   19   10   39 o  276.128   6.9703  206.953   10.400   0.0000   0.0000  206.953   10.400  ?   ?   276.128   6.9703      ?      ? 
1 1 1   19   10   40 o   75.662   9.7965   17.186   3.6283   12.816   6.1112   19.564   4.5090   66.646   16.935   84.678   9.8541 -18.03195 19.59302 
1 1 1   19   10   41 o  287.108   7.0355  223.975   10.915   0.0000   0.0000  223.975   10.915  ?   ?   287.108   7.0355      ?      ? 
1 1 1   19   10   42 o  106.482   7.1317   31.356   4.0047   29.529   6.2923   32.600   5.1921  103.678   11.231  109.286   8.7920 -5.608185 14.26347 
1 1 1   19   10   43 o   62.910   10.847   11.709   3.6265   9.9225   5.7571   12.884   4.6692   58.722   17.102   67.097   13.348 -8.374596 21.69464 
1 1 1   19   10   44 o  207.666   5.1050  116.470   5.6902  125.899   8.6731  109.344   7.5397  214.923   7.4680  200.409   6.9623 14.51358 10.20999 
1 1 1   19   10   45 o   89.802   8.2857   22.582   3.9456   20.825   6.0512   23.882   5.2040   86.488   12.948   93.116   10.342 -6.628418 16.57137 
1 1 1   19   10   46 o  197.761   5.2228  106.628   5.5556  108.383   8.2918  105.199   7.4838  199.144   7.7054  196.378   7.0524 2.765900 10.44557 
1 1 1   19   10   47 o   60.094   11.424   10.189   3.8054   14.087   5.9557   7.4995   4.9468   68.954   16.250   51.234   16.061 17.71956 22.84795 
1 1 1   19   10   48 o   62.339   11.534   11.546   3.9125   11.357   5.9074   11.694   5.2221   61.781   17.109   62.898   15.471 -1.117031 23.06708 
1 1 1   19   10   49 o  160.020   8.0268   70.326   6.9408   0.0000   0.0000   70.326   6.9408  ?   ?   160.020   8.0268      ?      ? 
1 1 1   19   10   50 o   38.952   11.263   1.0594   4.0376  -3.2990   5.8579   5.0036   5.5727   32.436   14.850   45.468   16.938 -13.03141 22.52584 
1 1 1   19   10   51 o  152.122   8.4243   63.851   6.9249   0.0000   0.0000   63.851   6.9249  ?   ?   152.122   8.4243      ?      ? 
1 1 1   19   10   52 o  143.785   9.0004   54.832   6.1417   50.919   7.0506   67.140   12.505  135.330   9.6415  152.239   15.201 -16.90894 18.00077 
1 1 1   19   10   53 o   98.261   15.631   32.655   8.4060   41.644   11.226   21.180   12.683  117.881   17.623   78.642   25.822 39.23915 31.26230 
1 1 1   19   10   54 o  236.320   8.8386  160.915   11.241  167.297   15.452  153.739   16.385  242.066   11.813  230.573   13.151 11.49255 17.67724 
1 1 1   19   10   55 o  158.622   8.6817   69.368   6.8400   80.495   12.768   64.888   8.1004  165.447   14.282  151.797   9.8754 13.65013 17.36339 
1 1 1   19   10   56 f  155.894   7.0649   68.419   5.9433   71.607   8.3465   65.140   8.4649  159.777   9.6672  152.011   10.305 7.765991 14.12989 
1 1 1   19   10   57 o  170.400   6.8154   83.067   6.2641   86.218   8.7272   79.718   8.9966  174.078   9.2777  166.723   9.9861 7.355515 13.63078 
1 1 1   19   10   58 o   63.214   13.178   13.480   5.1700   18.859   7.1448   7.5686   7.4903   75.731   17.766   50.697   19.467 25.03368 26.35513 
1 1 1   19   10   59 o   82.827   14.282   24.174   6.2031   26.667   10.049   22.640   7.8847   84.450   21.853   81.205   18.395 3.245514 28.56441 
1 1 1   19   11    0 o  507.343   8.6226  705.860   22.258  667.568   38.083  725.729   27.431  496.632   14.191  518.054   9.7990 -21.42191 17.24517 
1 1 1   19   11    1 f  706.761   8.9471  1349.47   34.122  1388.17   49.836  1315.31   46.818  716.267   12.876  697.254   12.426 19.01300 17.89412 
1 1 1   19   11    2 o  558.335   7.3773  842.793   22.254  825.917   31.143  860.401   31.811  552.626   10.429  564.044   10.437 -11.41846 14.75461 
1 1 1   19   11    3 o  668.840   8.5240  1210.04   30.805  1193.49   43.281  1227.04   43.854  664.204   12.059  673.475   12.050 -9.270935 17.04795 
1 1 1   19   11    4 o  214.906   7.8074  124.851   9.0666  124.851   9.0666   0.0000   0.0000  214.906   7.8074  ?   ?       ?      ? 
1 1 1   19   11    5 o  922.766   11.315  2305.00   56.407  2269.20   78.727  2342.76   80.857  915.418   15.915  930.114   16.088 -14.69666 22.63000 
1 1 1   19   11    6 o  893.412   11.033  2160.46   53.251  2125.22   74.333  2197.60   76.323  885.942   15.527  900.883   15.678 -14.94159 22.06570 
1 1 1   19   11    7 o  574.197   7.5463  891.173   23.406  870.283   32.593  913.418   33.635  567.255   10.633  581.138   10.711 -13.88336 15.09251 
1 1 1   19   11    8 o  771.174   9.6227  1608.21   40.077  1569.81   55.562  1649.86   57.864  761.596   13.501  780.753   13.715 -19.15668 19.24541 
1 1 1   19   11    9 o  397.272   5.9819  426.529   12.830  430.909   18.578  422.533   17.741  399.216   8.6118  395.327   8.3049 3.889099 11.96389 
1 1 1   19   11   10 o  334.535   5.6133  302.710   10.139  298.480   14.573  306.678   14.116  332.264   8.1168  336.806   7.7559 -4.541901 11.22657 
1 1 1   19   11   11 o  475.475   6.6454  610.294   17.058  585.648   23.507  637.704   24.791  465.357   9.3481  485.593   9.4477 -20.23657 13.29082 
1 1 1   19   11   12 o  431.504   8.7567  503.510   20.418   0.0000   0.0000  503.510   20.418  ?   ?   431.504   8.7567      ?      ? 
1 1 1   19   11   13 o  718.886   12.807  1399.05   49.752   0.0000   0.0000  1399.05   49.752  ?   ?   718.886   12.807      ?      ? 
1 1 1   19   11   15 o  514.761   9.6763  716.726   26.915   0.0000   0.0000  716.726   26.915  ?   ?   514.761   9.6763      ?      ? 
1 1 1   19   11   16 o  680.894   12.393  1254.91   45.597   0.0000   0.0000  1254.91   45.597  ?   ?   680.894   12.393      ?      ? 
1 1 1   19   11   19 o   77.682   10.078   16.327   4.2303   0.0000   0.0000   16.327   4.2303  ?   ?    77.682   10.078      ?      ? 
1 1 1   19   11   20 o  529.425   9.8903  758.325   28.295   0.0000   0.0000  758.325   28.295  ?   ?   529.425   9.8903      ?      ? 
1 1 1   19   11   21 o  597.183   10.859  965.310   35.041   0.0000   0.0000  965.310   35.041  ?   ?   597.183   10.859      ?      ? 
1 1 1   19   11   22 o  181.911   5.8809   89.463   5.7808   0.0000   0.0000   89.463   5.7808  ?   ?   181.911   5.8809      ?      ? 
1 1 1   19   11   23 o  128.521   6.1606   44.658   4.2784   0.0000   0.0000   44.658   4.2784  ?   ?   128.521   6.1606      ?      ? 
1 1 1   19   11   24 o  437.840   6.2766  518.343   14.850   0.0000   0.0000  518.343   14.850  ?   ?   437.840   6.2766      ?      ? 
1 1 1   19   11   25 o  365.134   5.7062  360.484   11.259   0.0000   0.0000  360.484   11.259  ?   ?   365.134   5.7062      ?      ? 
1 1 1   19   11   26 o  424.892   8.5040  488.687   19.525   0.0000   0.0000  488.687   19.525  ?   ?   424.892   8.5040      ?      ? 
1 1 1   19   11   27 o  519.284   7.8338  729.787   21.982   0.0000   0.0000  729.787   21.982  ?   ?   519.284   7.8338      ?      ? 
1 1 1   19   11   28 o  525.412   7.9030  747.238   22.438   0.0000   0.0000  747.238   22.438  ?   ?   525.412   7.9030      ?      ? 
1 1 1   19   11   29 o  122.182   8.4774   41.913   3.5838   38.739   10.299   42.351   3.8227  119.232   15.985  125.132   5.6534 -5.900543 16.95486 
1 1 1   19   11   30 o  317.561   6.6890  264.598   10.145  292.342   20.125  255.144   11.747  328.121   11.350  307.002   7.0812 21.11844 13.37797 
1 1 1   19   11   31 o  629.484   8.0624  1076.15   27.418  1055.72   38.275  1097.67   39.294  623.363   11.363  635.604   11.441 -12.24115 16.12471 
1 1 1   19   11   32 o  483.720   9.2378  634.753   24.146   0.0000   0.0000  634.753   24.146  ?   ?   483.720   9.2378      ?      ? 
1 1 1   19   11   33 o  390.462   7.9658  413.355   16.807   0.0000   0.0000  413.355   16.807  ?   ?   390.462   7.9658      ?      ? 
1 1 1   19   11   34 f  105.688   7.3200   30.251   3.9055   30.757   6.9090   30.013   4.7344  106.209   12.038  105.166   8.3311 1.042404 14.63998 
1 1 1   19   11   35 o  239.173   6.6904  155.002   8.6467   0.0000   0.0000  155.002   8.6467  ?   ?   239.173   6.6904      ?      ? 
1 1 1   19   11   36 o   91.833   7.8758   21.474   3.7317   28.276   6.5845   18.256   4.5293  101.774   11.973   81.891   10.236 19.88310 15.75161 
1 1 1   19   11   37 o   99.355   8.9206   31.177   3.9661   18.780   6.8117   37.535   4.8782   81.137   16.104  117.573   7.6783 -36.43589 17.84121 
1 1 1   19   11   38 o  117.738   8.0270   37.681   5.1069   0.0000   0.0000   37.681   5.1069  ?   ?   117.738   8.0270      ?      ? 
1 1 1   19   11   39 o  141.003   5.9756   54.281   4.4074   53.379   7.1662   54.829   5.5896  139.928   9.4776  142.077   7.2806 -2.148056 11.95121 
1 1 1   19   11   40 o  120.716   6.4599   39.396   4.0983   41.198   6.6818   38.309   5.1889  122.789   10.070  118.642   8.0937 4.147346 12.91977 
1 1 1   19   11   41 o  151.422   7.2133   62.370   5.9021   0.0000   0.0000   62.370   5.9021  ?   ?   151.422   7.2133      ?      ? 
1 1 1   19   11   42 o  293.276   7.1553  234.061   11.339   0.0000   0.0000  234.061   11.339  ?   ?   293.276   7.1553      ?      ? 
1 1 1   19   11   43 o  342.466   5.4785  319.816   10.134  319.169   14.545  320.426   14.126  342.080   7.8688  342.851   7.6249 -0.7715454 10.95707 
1 1 1   19   11   44 o  182.514   5.4329   89.910   5.2844   97.010   8.3058   85.081   6.8495  188.378   8.1595  176.650   7.1755 11.72794 10.86581 
1 1 1   19   11   45 o  168.906   5.5192   77.715   4.9842   79.714   7.6650   76.250   6.5606  170.653   8.3121  167.159   7.2632 3.494019 11.03837 
1 1 1   19   11   46 o  181.120   5.4371   90.105   5.2591   87.315   8.0045   92.225   6.9762  178.455   8.3007  183.785   7.0246 -5.329514 10.87412 
1 1 1   19   11   47 o  177.905   5.6021   87.119   5.3190   83.999   8.1034   89.482   7.0504  174.880   8.5750  180.930   7.2114 -6.049301 11.20426 
1 1 1   19   11   48 o   77.521   10.622   18.426   4.1893   13.430   6.6212   21.761   5.4098   66.695   17.968   88.347   11.332 -21.65215 21.24303 
1 1 1   19   11   49 o   62.331   11.668   12.033   4.1863   7.1135   6.3434   15.829   5.5719   51.329   18.224   73.333   14.575 -22.00371 23.33526 
1 1 1   19   11   50 o   36.905   10.207  -3.1466   4.0532 -16.7110   6.1263   7.4133   5.4054   22.948   11.503   50.862   16.865 -27.91444 20.41403 
1 1 1   19   11   51 o  169.003   5.8811   78.102   5.3460   86.093   8.0450   71.783   7.1539  176.632   8.4289  161.374   8.2039 15.25746 11.76224 
1 1 1   19   11   52 o  121.763   10.723   40.388   6.3956   36.745   7.4663   50.428   12.394  113.749   12.147  129.777   17.674 -16.02866 21.44594 
1 1 1   19   11   53 o   75.265   16.981   18.289   7.6847   14.694   9.8371   23.919   12.310   67.411   22.757   83.118   25.211 -15.70727 33.96229 
1 1 1   19   11   54 o   84.942   17.019   25.837   8.1651   27.320   10.511   23.581   12.966   89.910   21.849   79.974   26.101 9.935730 34.03859 
1 1 1   19   11   55 o  131.716   10.099   47.280   6.6994   61.059   12.422   41.630   7.9554  142.937   16.083  120.494   12.218 22.44315 20.19793 
1 1 1   19   11   56 o   61.525   13.157   11.933   5.1582   5.7404   7.2645   18.230   7.3254   48.032   18.961   75.018   18.246 -26.98536 26.31413 
1 1 1   19   11   57 o   82.004   14.262   21.846   6.1625   32.680   10.425   16.027   7.6403   96.524   20.614   67.484   19.716 29.03960 28.52413 
1 1 1   19   11   58 o  161.949   9.1769   77.691   7.9705   84.414   12.197   72.680   10.529  167.384   13.486  156.513   12.450 10.87103 18.35377 
1 1 1   19   12    0 o  188.305   15.556   96.013   15.829   96.013   15.829   0.0000   0.0000  188.305   15.556  ?   ?       ?      ? 
1 1 1   19   12    1 o  675.029   8.6256  1232.21   31.454  1208.16   43.855  1257.69   45.139  668.253   12.145  681.806   12.252 -13.55243 17.25127 
1 1 1   19   12    2 o  541.262   7.2825  792.258   21.299  782.429   29.988  802.263   30.256  537.874   10.318  544.651   10.280 -6.776672 14.56494 
1 1 1   19   12    3 o  496.922   9.7388  667.759   26.150   0.0000   0.0000  667.759   26.150  ?   ?   496.922   9.7388      ?      ? 
1 1 1   19   12    4 o  1185.95   14.321  3813.35   91.748  3754.22  127.852  3876.13  131.736  1176.50   20.111  1195.39   20.394 -18.88330 28.64203 
1 1 1   19   12    6 o  529.653   7.1671  758.761   20.511  756.444   29.144  761.036   28.873  528.849   10.198  530.458   10.073 -1.609497 14.33417 
1 1 1   19   12    7 o  265.594   5.4343  190.308   7.7878  176.556   10.766  205.400   11.279  255.549   7.7966  275.639   7.5724 -20.09000 10.86869 
1 1 1   19   12    8 o  547.953   7.3526  812.136   21.767  815.278   31.085  809.112   30.491  548.988   10.479  546.919   10.317 2.069702 14.70527 
1 1 1   19   12    9 o  245.376   5.5600  162.643   7.3649  165.934   10.697  159.677   10.155  247.731   7.9912  243.020   7.7328 4.710129 11.12004 
1 1 1   19   12   10 o   88.261   9.8673   21.501   4.5702   18.901   6.4857   24.066   6.4410   82.235   15.154   94.288   12.642 -12.05280 19.73451 
1 1 1   19   12   11 o  259.223   5.6335  181.260   7.8803  190.042   11.518  173.533   10.805  265.109   8.0404  253.336   7.8927 11.77325 11.26693 
1 1 1   19   12   12 o  118.037   11.123   37.700   7.0949   0.0000   0.0000   37.700   7.0949  ?   ?   118.037   11.123      ?      ? 
1 1 1   19   12   13 o  483.382   6.7977  631.407   17.746  613.955   24.614  650.299   25.610  476.435   9.5608  490.328   9.6656 -13.89279 13.59533 
1 1 1   19   12   14 o  142.889   6.7065   57.431   4.9754   42.680   7.4380   69.375   6.6933  125.594   10.960  160.183   7.7327 -34.58909 13.41309 
1 1 1   19   12   15 o  243.755   6.4998  160.620   8.5613   0.0000   0.0000  160.620   8.5613  ?   ?   243.755   6.4998      ?      ? 
1 1 1   19   12   16 o  256.543   5.6765  177.896   7.8691   0.0000   0.0000  177.896   7.8691  ?   ?   256.543   5.6765      ?      ? 
1 1 1   19   12   17 o  827.480   14.449  1855.32   64.607   0.0000   0.0000  1855.32   64.607  ?   ?   827.480   14.449      ?      ? 
1 1 1   19   12   19 o  318.753   6.1869  274.672   10.657   0.0000   0.0000  274.672   10.657  ?   ?   318.753   6.1869      ?      ? 
1 1 1   19   12   20 o  568.450   7.5700  873.919   23.253   0.0000   0.0000  873.919   23.253  ?   ?   568.450   7.5700      ?      ? 
1 1 1   19   12   21 o  491.293   6.8254  652.689   18.120   0.0000   0.0000  652.689   18.120  ?   ?   491.293   6.8254      ?      ? 
1 1 1   19   12   22 o  559.573   7.4716  846.872   22.592   0.0000   0.0000  846.872   22.592  ?   ?   559.573   7.4716      ?      ? 
1 1 1   19   12   23 o  116.510   7.1644   36.715   4.5106   0.0000   0.0000   36.715   4.5106  ?   ?   116.510   7.1644      ?      ? 
1 1 1   19   12   24 o  298.574   7.2914  241.176   11.764   0.0000   0.0000  241.176   11.764  ?   ?   298.574   7.2914      ?      ? 
1 1 1   19   12   25 o  721.140   10.359  1409.07   40.367   0.0000   0.0000  1409.07   40.367  ?   ?   721.140   10.359      ?      ? 
1 1 1   19   12   26 o  148.455   7.4300   59.637   5.9604   0.0000   0.0000   59.637   5.9604  ?   ?   148.455   7.4300      ?      ? 
1 1 1   19   12   27 o  278.814   5.2421  210.209   7.8978   0.0000   0.0000  210.209   7.8978  ?   ?   278.814   5.2421      ?      ? 
1 1 1   19   12   28 o  347.504   5.5985  326.629   10.513   0.0000   0.0000  326.629   10.513  ?   ?   347.504   5.5985      ?      ? 
1 1 1   19   12   29 o  196.095   6.6922   97.180   6.1260  118.581   12.855   90.893   6.9681  208.956   11.385  183.234   7.0375 25.72252 13.38433 
1 1 1   19   12   30 o   62.622   12.681   11.488   3.9617   7.3086   9.4087   12.389   4.3678   58.844   21.992   66.400   12.635 -7.556774 25.36278 
1 1 1   19   12   31 o   87.618   8.6160   18.627   3.8172   27.989   7.1092   14.835   4.5248  101.366   12.979   73.870   11.335 27.49632 17.23209 
1 1 1   19   12   32 o  110.543   7.4309   33.269   4.1206   33.086   7.3362   33.353   4.9804  110.194   12.320  110.892   8.3115 -0.6982040 14.86187 
1 1 1   19   12   33 o  217.723   5.2061  128.308   6.0415  129.784   9.3718  127.259   7.9028  218.733   7.9291  216.713   6.7485 2.019348 10.41212 
1 1 1   19   12   34 o  217.895   5.2508  129.802   6.0898  121.949   9.2974  135.703   8.0592  212.000   8.1159  223.790   6.6644 -11.79068 10.50156 
1 1 1   19   12   35 o  153.833   5.8867   64.580   4.7036   63.082   7.7657   65.448   5.9112  152.307   9.4356  155.359   7.0413 -3.052536 11.77334 
1 1 1   19   12   36 o  168.118   5.7705   79.213   5.0389   66.454   7.9274   87.863   6.5272  156.248   9.3892  179.989   6.7111 -23.74146 11.54106 
1 1 1   19   12   37 o  104.251   7.3872   28.699   3.9318   32.601   6.9684   26.876   4.7622  109.133   11.817   99.370   8.8688 9.763428 14.77450 
1 1 1   19   12   38 o  125.753   6.6040   43.186   4.2965   42.796   7.1820   43.404   5.3617  125.149   10.620  126.356   7.8527 -1.206886 13.20802 
1 1 1   19   12   39 o  368.687   7.8335  369.760   15.606   0.0000   0.0000  369.760   15.606  ?   ?   368.687   7.8335      ?      ? 
1 1 1   19   12   40 o  205.874   5.2998  116.188   5.7953  110.435   8.9411  120.357   7.6105  201.296   8.2199  210.452   6.6923 -9.155914 10.59968 
1 1 1   19   12   41 o  114.846   7.2973   36.689   4.2826   34.489   7.2385   37.873   5.3121  111.868   11.974  117.824   8.3435 -5.956673 14.59453 
1 1 1   19   12   42 o  405.156   8.3209  448.159   18.217   0.0000   0.0000  448.159   18.217  ?   ?   405.156   8.3209      ?      ? 
1 1 1   19   12   43 o   43.531   10.786  -0.9039   3.6894   11.685   6.5653  -6.7139   4.4602   63.136   18.228   23.927   11.539 39.20914 21.57287 
1 1 1   19   12   44 o  275.137   7.1134  206.472   10.576   0.0000   0.0000  206.472   10.576  ?   ?   275.137   7.1134      ?      ? 
1 1 1   19   12   45 o  193.590   5.4959  102.962   5.6726   99.808   8.6878  105.305   7.4895  190.783   8.4272  196.397   7.0571 -5.614319 10.99184 
1 1 1   19   12   46 o  181.346   5.6102   90.089   5.4016   90.181   8.4630   90.025   7.0167  181.190   8.6438  181.502   7.1542 -0.3125305 11.22040 
1 1 1   19   12   47 o  158.999   6.0329   69.854   5.0996   67.479   7.8765   71.568   6.6915  156.394   9.3202  161.604   7.6627 -5.210693 12.06579 
1 1 1   19   12   48 o  107.317   7.9317   33.163   4.4255   27.416   6.8752   37.229   5.7827   98.560   12.909  116.073   9.2196 -17.51323 15.86333 
1 1 1   19   12   49 o  131.723   9.0782   48.012   6.4617   0.0000   0.0000   48.012   6.4617  ?   ?   131.723   9.0782      ?      ? 
1 1 1   19   12   50 o  188.689   5.6926   97.970   5.7778   98.854   8.6058   97.244   7.7962  189.299   8.4131  188.079   7.6710 1.220245 11.38528 
1 1 1   19   12   51 o   92.587   9.7168   24.151   4.6684   31.554   7.2781   18.976   6.0850  105.207   12.802   79.967   14.621 25.23946 19.43360 
1 1 1   19   12   52 o  122.289   13.350   46.952   8.2647   52.027   10.834   39.887   12.782  133.515   15.017  111.062   22.076 22.45271 26.69934 
1 1 1   19   12   53 o   66.711   16.854   12.883   8.1003   4.8333   10.590   24.234   12.575   51.784   21.917   81.639   25.610 -29.85573 33.70843 
1 1 1   19   12   54 f   43.612   14.286  -6.2502   8.2949   0.4000   10.839 -15.6509   12.887   47.509   21.102   39.716   19.264 7.792953 28.57284 
1 1 1   19   12   55 o   96.999   13.128   29.469   6.5760   29.797   10.488   29.257   8.4413   95.120   20.970   98.878   15.799 -3.758041 26.25534 
1 1 1   19   12   56 o   59.075   15.527   12.229   6.4464   14.876   10.553   10.653   8.1420   62.508   23.305   55.641   20.524 6.866657 31.05380 
1 1 1   19   12   57 f   93.434   14.410   28.403   6.9263   37.838   11.415   22.905   8.7137  105.009   20.852   81.859   19.894 23.15056 28.81972 
1 1 1   19   12   58 o   53.924   13.674   10.043   5.2891   6.1803   7.9050   13.174   7.1168   47.253   19.377   60.595   19.298 -13.34264 27.34706 
1 1 1   19   13    0 o  397.997   9.1106  428.997   19.577  409.685   27.727  448.198   27.647  389.042   13.189  406.952   12.572 -17.90988 18.22127 
1 1 1   19   13    1 f  275.445   8.0640  210.666   10.430  194.324   20.316  216.514   12.154  267.902   14.033  282.987   7.9481 -15.08548 16.12793 
1 1 1   19   13    2 o  218.158   6.0089  128.827   7.0754  124.721   10.143  132.719   9.8744  214.763   8.7405  221.552   8.2480 -6.789032 12.01771 
1 1 1   19   13    3 o  251.918   5.6352  171.592   7.6682  165.365   10.800  177.923   10.890  247.306   8.0814  256.530   7.8559 -9.223846 11.27049 
1 1 1   19   13    4 f  323.953   5.8328  283.831   10.202  282.134   14.711  285.402   14.159  323.015   8.4283  324.891   8.0652 -1.876282 11.66554 
1 1 1   19   13    5 o  206.358   6.1228  115.088   6.8191  116.470   9.9170  113.848   9.3918  207.529   8.8433  205.187   8.4705 2.341492 12.24554 
1 1 1   19   13    6 o  283.778   5.7474  217.715   8.8104  219.072   12.639  216.433   12.288  284.635   8.2175  282.920   8.0376 1.714813 11.49477 
1 1 1   19   13    7 o  645.562   8.3780  1127.91   29.225  1120.57   41.275  1135.28   41.388  643.456   11.871  647.668   11.826 -4.211975 16.75595 
1 1 1   19   13    8 f  391.567   8.7465  414.643   18.507   0.0000   0.0000  414.643   18.507  ?   ?   391.567   8.7465      ?      ? 
1 1 1   19   13   10 o  234.085   8.4290  148.174   10.662  148.174   10.662   0.0000   0.0000  234.085   8.4290  ?   ?       ?      ? 
1 1 1   19   13   11 o  646.331   8.4423  1130.57   29.484  1120.10   41.574  1141.17   41.821  643.319   11.959  649.344   11.919 -6.024414 16.88454 
1 1 1   19   13   12 o  242.351   5.9257  158.781   7.7542  160.042   11.206  157.623   10.741  243.270   8.5250  241.433   8.2328 1.837524 11.85132 
1 1 1   19   13   13 o  182.819   6.3241   89.280   6.1903   74.071   8.2994  108.352   9.2936  165.480   9.2814  200.159   8.5925 -34.67896 12.64814 
1 1 1   19   13   14 o  662.561   9.5791  1208.12   30.918  1144.59   57.224  1234.32   36.743  649.688   16.300  675.433   10.067 -25.74414 19.15817 
1 1 1   19   13   15 o  221.959   7.1580  133.202   8.5853   0.0000   0.0000  133.202   8.5853  ?   ?   221.959   7.1580      ?      ? 
1 1 1   19   13   16 o  387.587   7.2312  406.174   15.145   0.0000   0.0000  406.174   15.145  ?   ?   387.587   7.2312      ?      ? 
1 1 1   19   13   17 o  279.914   5.8931  211.805   8.9136   0.0000   0.0000  211.805   8.9136  ?   ?   279.914   5.8931      ?      ? 
1 1 1   19   13   18 o  426.766   9.5347  492.855   21.988   0.0000   0.0000  492.855   21.988  ?   ?   426.766   9.5347      ?      ? 
1 1 1   19   13   19 o  576.141   10.501  898.641   32.691   0.0000   0.0000  898.641   32.691  ?   ?   576.141   10.501      ?      ? 
1 1 1   19   13   20 o  263.896   9.2256  188.451   13.156   0.0000   0.0000  188.451   13.156  ?   ?   263.896   9.2256      ?      ? 
1 1 1   19   13   21 o  836.299   11.903  1895.03   53.792   0.0000   0.0000  1895.03   53.792  ?   ?   836.299   11.903      ?      ? 
1 1 1   19   13   22 o  219.346   8.9279  130.239   10.582   0.0000   0.0000  130.239   10.582  ?   ?   219.346   8.9279      ?      ? 
1 1 1   19   13   23 o  392.548   6.1130  416.743   12.967   0.0000   0.0000  416.743   12.967  ?   ?   392.548   6.1130      ?      ? 
1 1 1   19   13   24 o  784.962   11.215  1670.49   47.570   0.0000   0.0000  1670.49   47.570  ?   ?   784.962   11.215      ?      ? 
1 1 1   19   13   25 o  302.593   7.3933  247.782   12.089   0.0000   0.0000  247.782   12.089  ?   ?   302.593   7.3933      ?      ? 
1 1 1   19   13   26 o  211.949   6.5943  121.544   7.5524   0.0000   0.0000  121.544   7.5524  ?   ?   211.949   6.5943      ?      ? 
1 1 1   19   13   27 o  171.782   5.5573   79.820   5.1586   0.0000   0.0000   79.820   5.1586  ?   ?   171.782   5.5573      ?      ? 
1 1 1   19   13   28 o  338.008   6.0333  309.149   11.020   0.0000   0.0000  309.149   11.020  ?   ?   338.008   6.0333      ?      ? 
1 1 1   19   13   29 o  397.671   6.7864  429.862   11.715  427.703   25.992  430.413   13.124  396.549   12.130  398.794   6.0900 -2.245331 13.57288 
1 1 1   19   13   30 o   66.827   12.160   14.019   3.4207   7.1239   9.9847   14.936   3.6411   59.457   22.560   74.198   9.0814 -14.74083 24.31932 
1 1 1   19   13   31 o   69.061   11.977   16.698   4.3430   2.3063   9.9282   20.104   4.8297   52.133   21.581   85.988   10.394 -33.85460 23.95389 
1 1 1   19   13   32 o  118.330   7.1667   37.236   4.3220   40.603   7.6266   35.642   5.2456  122.067   11.562  114.593   8.4712 7.474228 14.33346 
1 1 1   19   13   33 o  292.094   7.1270  231.287   11.249   0.0000   0.0000  231.287   11.249  ?   ?   292.094   7.1270      ?      ? 
1 1 1   19   13   34 o  146.120   6.3185   58.532   4.7180   56.458   8.0404   59.621   5.8266  143.982   10.334  148.257   7.2730 -4.274582 12.63698 
1 1 1   19   13   35 o  166.092   5.7834   74.951   4.9884   75.012   8.2909   74.917   6.2453  166.012   9.2422  166.171   6.9552 -0.1590729 11.56686 
1 1 1   19   13   36 o  178.404   5.6955   87.831   5.3313   80.585   8.4306   92.660   6.8822  172.034   9.0689  184.775   6.8928 -12.74069 11.39106 
1 1 1   19   13   37 o  206.516   6.8360  115.773   7.6286   0.0000   0.0000  115.773   7.6286  ?   ?   206.516   6.8360      ?      ? 
1 1 1   19   13   38 o  106.646   7.7013   31.429   4.1668   30.260   7.1938   32.020   5.1116  104.889   12.692  108.402   8.7263 -3.512901 15.40270 
1 1 1   19   13   39 o   66.478   11.521   11.870   3.9101   16.137   6.9504   9.8935   4.7295   74.390   17.571   58.566   14.907 15.82412 23.04215 
1 1 1   19   13   40 o  228.464   5.2489  140.907   6.3770  148.714   10.061  135.664   8.2449  233.575   7.9709  223.353   6.8314 10.22198 10.49775 
1 1 1   19   13   41 o  197.005   6.9073  105.616   7.3531   0.0000   0.0000  105.616   7.3531  ?   ?   197.005   6.9073      ?      ? 
1 1 1   19   13   42 o  238.586   5.3225  154.334   6.7779  161.376   10.534  149.361   8.8538  243.043   8.0212  234.129   6.9982 8.914261 10.64495 
1 1 1   19   13   43 o   65.114   11.827   11.212   4.0039   17.110   7.1585   8.5269   4.8301   75.967   17.757   54.261   15.626 21.70605 23.65313 
1 1 1   19   13   44 o  181.831   5.7712   91.854   5.5102   84.587   8.6986   96.724   7.1212  175.411   9.1771  188.251   7.0005 -12.84009 11.54233 
1 1 1   19   13   45 o  107.722   7.7078   31.215   4.3018   35.585   7.3817   28.968   5.2936  112.936   12.096  102.507   9.5568 10.42921 15.41563 
1 1 1   19   13   46 o  236.913   5.4509  154.995   6.9219  137.398   10.012  171.104   9.5800  223.675   8.2838  250.151   7.0872 -26.47543 10.90184 
1 1 1   19   13   47 o  179.743   5.8827   89.531   5.6132   85.135   8.6692   92.705   7.3658  175.583   9.1371  183.904   7.4121 -8.320435 11.76542 
1 1 1   19   13   48 o   53.684   12.128   8.5561   4.2500   3.5408   6.8923   11.633   5.3986   45.162   18.251   62.206   15.977 -17.04355 24.25625 
1 1 1   19   13   49 o   59.181   11.663   8.4079   4.2896   18.950   7.0231   2.1346   5.4176   79.185   16.927   39.177   16.050 40.00809 23.32634 
1 1 1   19   13   50 o  102.941   9.9684   33.719   4.8209   20.163   7.4995   43.266   6.2935   81.100   17.617  124.783   9.3337 -43.68312 19.93682 
1 1 1   19   13   51 o   35.443   12.250 -12.9457   6.1064 -14.9753   7.0651  -6.9527   12.141   26.590   13.167   44.297   20.661 -17.70704 24.49958 
1 1 1   19   13   52 o  161.259   17.453   79.324   15.208   0.0000   0.0000   79.324   15.208  ?   ?   161.259   17.453      ?      ? 
1 1 1   19   13   54 o  186.627   10.085   98.041   10.170   0.0000   0.0000   98.041   10.170  ?   ?   186.627   10.085      ?      ? 
1 1 1   19   13   55 o   61.707   13.861   13.186   5.4976   8.1173   7.9639   17.800   7.5985   51.542   19.996   71.872   19.201 -20.33050 27.72177 
1 1 1   19   13   56 o   88.909   11.509   25.015   5.3510   23.602   8.0070   26.156   7.1932   84.786   18.031   93.032   14.309 -8.246147 23.01883 
1 1 1   19   13   57 o   77.931   12.819   20.671   5.2810   21.954   7.8359   19.603   7.1483   79.842   18.521   76.020   17.728 3.822388 25.63766 
1 1 1   19   14    0 o  358.059   12.692  347.072   24.556   0.0000   0.0000  347.072   24.556  ?   ?   358.059   12.692      ?      ? 
1 1 1   19   14    1 o  625.344   11.916  1058.61   40.234  1015.54   55.630  1105.86   58.259  612.030   16.821  638.657   16.881 -26.62744 23.83110 
1 1 1   19   14    2 o  436.572   9.7960  515.466   23.071  527.477   33.772  504.955   31.591  441.311   14.162  431.832   13.538 9.479248 19.59208 
1 1 1   19   14    3 f  460.253   10.081  570.945   24.966  602.928   37.414  545.270   33.522  471.782   14.676  448.723   13.825 23.05957 20.16187 
1 1 1   19   14    4 o  235.989   6.1293  150.594   7.8132  150.894   11.206  150.311   10.899  236.215   8.7794  235.764   8.5553 0.4508820 12.25850 
1 1 1   19   14    5 o  574.711   7.7186  893.307   23.966  875.495   33.490  912.003   34.310  568.843   10.895  580.579   10.936 -11.73602 15.43722 
1 1 1   19   14    6 o  208.927   9.0955  118.053   10.269   0.0000   0.0000  118.053   10.269  ?   ?   208.927   9.0955      ?      ? 
1 1 1   19   14    8 o  328.770   6.0315  292.277   10.712  282.730   15.066  302.040   15.234  323.337   8.6229  334.203   8.4359 -10.86615 12.06308 
1 1 1   19   14   10 o  436.120   9.3812  514.500   22.108   0.0000   0.0000  514.500   22.108  ?   ?   436.120   9.3812      ?      ? 
1 1 1   19   14   13 o  312.862   8.4888  264.726   14.351   0.0000   0.0000  264.726   14.351  ?   ?   312.862   8.4888      ?      ? 
1 1 1   19   14   14 o  329.259   6.1809  298.670   10.270  277.703   17.771  309.185   12.585  320.352   10.266  338.166   6.8870 -17.81418 12.36185 
1 1 1   19   14   15 o  390.944   7.3607  413.306   15.550   0.0000   0.0000  413.306   15.550  ?   ?   390.944   7.3607      ?      ? 
1 1 1   19   14   16 o  481.025   9.4370  626.155   24.530   0.0000   0.0000  626.155   24.530  ?   ?   481.025   9.4370      ?      ? 
1 1 1   19   14   17 o  505.591   10.353  691.992   28.285   0.0000   0.0000  691.992   28.285  ?   ?   505.591   10.353      ?      ? 
1 1 1   19   14   18 o  335.675   5.9920  304.637   10.869   0.0000   0.0000  304.637   10.869  ?   ?   335.675   5.9920      ?      ? 
1 1 1   19   14   19 o  408.607   9.6540  451.953   21.316   0.0000   0.0000  451.953   21.316  ?   ?   408.607   9.6540      ?      ? 
1 1 1   19   14   20 o  672.051   12.003  1224.47   43.591   0.0000   0.0000  1224.47   43.591  ?   ?   672.051   12.003      ?      ? 
1 1 1   19   14   21 o  128.462   7.8662   44.659   5.4604   0.0000   0.0000   44.659   5.4604  ?   ?   128.462   7.8662      ?      ? 
1 1 1   19   14   22 o  452.280   8.9962  553.891   21.986   0.0000   0.0000  553.891   21.986  ?   ?   452.280   8.9962      ?      ? 
1 1 1   19   14   23 f  322.828   7.7220  282.061   13.471   0.0000   0.0000  282.061   13.471  ?   ?   322.828   7.7220      ?      ? 
1 1 1   19   14   24 o  533.878   10.073  772.538   29.061   0.0000   0.0000  772.538   29.061  ?   ?   533.878   10.073      ?      ? 
1 1 1   19   14   25 o  198.187   6.8515  106.300   7.3375   0.0000   0.0000  106.300   7.3375  ?   ?   198.187   6.8515      ?      ? 
1 1 1   19   14   26 o  719.661   12.805  1408.50   49.794   0.0000   0.0000  1408.50   49.794  ?   ?   719.661   12.805      ?      ? 
1 1 1   19   14   27 o  224.430   5.4442  136.263   6.6024   0.0000   0.0000  136.263   6.6024  ?   ?   224.430   5.4442      ?      ? 
1 1 1   19   14   28 o  281.860   5.4694  214.953   8.3303   0.0000   0.0000  214.953   8.3303  ?   ?   281.860   5.4694      ?      ? 
1 1 1   19   14   29 o  349.559   6.1703  330.816   11.655   0.0000   0.0000  330.816   11.655  ?   ?   349.559   6.1703      ?      ? 
1 1 1   19   14   30 o  499.490   7.9298  682.245   18.294  673.649   37.129  685.001   21.023  496.392   13.842  502.588   7.7409 -6.195496 15.85967 
1 1 1   19   14   31 o  325.870   6.8352  281.439   10.833  305.180   20.775  272.572   12.696  334.674   11.488  317.066   7.4104 17.60812 13.67039 
1 1 1   19   14   32 o  476.033   9.2661  615.827   23.835   0.0000   0.0000  615.827   23.835  ?   ?   476.033   9.2661      ?      ? 
1 1 1   19   14   33 o  238.997   5.4867  156.669   7.0002  141.928   10.432  168.742   9.4412  228.560   8.4468  249.433   7.0047 -20.87256 10.97333 
1 1 1   19   14   34 o  128.872   8.0558   45.131   5.6099   0.0000   0.0000   45.131   5.6099  ?   ?   128.872   8.0558      ?      ? 
1 1 1   19   14   35 o  163.618   6.2091   74.993   5.2162   65.426   8.5414   80.684   6.5873  154.841   10.208  172.396   7.0712 -17.55450 12.41819 
1 1 1   19   14   36 o  325.882   7.4544  288.564   13.127   0.0000   0.0000  288.564   13.127  ?   ?   325.882   7.4544      ?      ? 
1 1 1   19   14   37 o  153.937   6.1624   63.978   4.8794   66.542   8.3581   62.653   6.0098  156.060   9.9113  151.814   7.3259 4.245712 12.32487 
1 1 1   19   14   38 o  220.333   5.4094  132.101   6.3289  132.586   9.9214  131.769   8.2181  220.518   8.3261  220.148   6.9083 0.3697205 10.81889 
1 1 1   19   14   39 o  192.992   5.7009  102.895   5.7891   95.142   9.1045  108.157   7.5006  186.585   9.0300  199.398   6.9613 -12.81320 11.40179 
1 1 1   19   14   40 o  145.910   6.5968   59.332   4.9636   54.564   8.1794   62.112   6.2449  140.874   10.745  150.947   7.6562 -10.07234 13.19358 
1 1 1   19   14   41 f  186.186   5.7877   94.638   5.6383   95.225   9.2119   94.287   7.1298  186.379   9.1468  185.993   7.0941 0.3858337 11.57536 
1 1 1   19   14   42 o   66.139   11.907   13.543   4.1372   10.115   7.4824   15.052   4.9653   59.830   19.842   72.447   13.168 -12.61716 23.81437 
1 1 1   19   14   43 o  155.562   6.3924   67.892   5.0984   61.767   8.4741   71.367   6.3829  149.495   10.490  161.628   7.3082 -12.13271 12.78482 
1 1 1   19   14   44 f  156.523   6.6829   71.179   5.2953   54.641   8.5134   81.615   6.7627  140.250   11.233  172.795   7.2427 -32.54436 13.36585 
1 1 1   19   14   45 o   68.119   12.036   13.035   4.2210   16.995   7.4048   11.129   5.1374   74.944   18.416   61.294   15.501 13.64999 24.07138 
1 1 1   19   14   46 o   44.084   12.254   2.5363   4.2757   7.5319   7.0879  -0.3215   5.3609   53.209   19.221   34.959   15.204 18.24932 24.50793 
1 1 1   19   14   47 o   52.641   12.750   7.0119   4.3491   11.364   7.0978   4.3957   5.5033   61.314   19.242   43.968   16.733 17.34600 25.49970 
1 1 1   19   14   48 o  220.839   7.4499  133.948   8.8902   0.0000   0.0000  133.948   8.8902  ?   ?   220.839   7.4499      ?      ? 
1 1 1   19   14   49 o   43.028   13.076   1.4856   5.2496  -7.7748   11.194   4.0964   5.9437   42.037   19.682   44.019   17.220 -1.982822 26.15183 
1 1 1   19   14   53 o  161.645   8.7107   71.292   6.8651   83.829   13.263   66.705   8.0236  169.043   14.520  154.246   9.6264 14.79742 17.42132 
1 1 1   19   14   54 o   32.927   10.873  -5.4547   4.9934 -11.8978   7.6634  -0.7008   6.5826   29.421   14.398   36.433   16.296 -7.012449 21.74545 
1 1 1   19   14   55 o  150.629   7.4827   65.292   6.0487   66.531   9.1276   64.323   8.0767  151.369   11.159  149.889   9.9719 1.479965 14.96542 
1 1 1   19   14   56 o   44.812   13.152   4.2527   5.2103   6.9409   7.9755   2.2512   6.8818   49.150   19.714   40.473   17.414 8.677517 26.30361 
1 1 1   19   15    0 o  373.763   8.9236  377.817   18.023   0.0000   0.0000  377.817   18.023  ?   ?   373.763   8.9236      ?      ? 
1 1 1   19   15    1 o  464.056   6.9198  582.110   17.335  591.569   25.167  573.572   23.911  467.630   9.9597  460.482   9.6094 7.148468 13.83968 
1 1 1   19   15    2 o  435.889   6.7488  513.988   15.893  502.222   22.455  525.800   22.498  430.884   9.6440  440.893   9.4433 -10.00925 13.49752 
1 1 1   19   15    3 o  433.457   10.070  509.044   23.584  500.676   33.424  517.342   33.282  429.896   14.388  437.017   14.094 -7.120544 20.14065 
1 1 1   19   15    4 o  234.350   11.190  147.634   14.074  159.212   21.460  138.896   18.643  242.316   16.389  226.384   15.240 15.93242 22.37967 
1 1 1   19   15    5 o  270.442   10.760  198.346   15.683  196.554   22.971  199.910   21.464  269.265   15.788  271.619   14.624 -2.353851 21.52013 
1 1 1   19   15    6 o  376.599   8.7611  394.234   16.019  360.360   29.526  408.365   19.070  364.646   14.984  388.552   9.0826 -23.90616 17.52219 
1 1 1   19   15    7 o  414.653   9.2320  465.090   20.686   0.0000   0.0000  465.090   20.686  ?   ?   414.653   9.2320      ?      ? 
1 1 1   19   15   10 o  454.828   9.6080  559.654   23.614   0.0000   0.0000  559.654   23.614  ?   ?   454.828   9.6080      ?      ? 
1 1 1   19   15   13 o  685.560   10.573  1283.49   37.473  1244.82   62.414  1305.29   46.858  677.021   17.061  694.099   12.493 -17.07837 21.14571 
1 1 1   19   15   14 f  548.948   8.7130  815.302   25.846   0.0000   0.0000  815.302   25.846  ?   ?   548.948   8.7130      ?      ? 
1 1 1   19   15   15 f  558.146   11.085  843.570   33.433   0.0000   0.0000  843.570   33.433  ?   ?   558.146   11.085      ?      ? 
1 1 1   19   15   16 o  255.712   6.1889  176.799   8.5517   0.0000   0.0000  176.799   8.5517  ?   ?   255.712   6.1889      ?      ? 
1 1 1   19   15   17 o  513.071   7.1838  712.038   19.917   0.0000   0.0000  712.038   19.917  ?   ?   513.071   7.1838      ?      ? 
1 1 1   19   15   18 o  334.780   8.0542  303.301   14.570   0.0000   0.0000  303.301   14.570  ?   ?   334.780   8.0542      ?      ? 
1 1 1   19   15   19 o  203.291   6.5547  111.785   7.2004   0.0000   0.0000  111.785   7.2004  ?   ?   203.291   6.5547      ?      ? 
1 1 1   19   15   21 o  248.727   7.6656  167.432   10.303   0.0000   0.0000  167.432   10.303  ?   ?   248.727   7.6656      ?      ? 
1 1 1   19   15   22 o  342.986   7.9081  318.462   14.657   0.0000   0.0000  318.462   14.657  ?   ?   342.986   7.9081      ?      ? 
1 1 1   19   15   23 o   94.979   11.437   24.485   5.8698   0.0000   0.0000   24.485   5.8698  ?   ?    94.979   11.437      ?      ? 
1 1 1   19   15   24 o  281.436   5.7507  214.280   8.7455   0.0000   0.0000  214.280   8.7455  ?   ?   281.436   5.7507      ?      ? 
1 1 1   19   15   25 o  129.975   7.4208   45.751   5.2119   0.0000   0.0000   45.751   5.2119  ?   ?   129.975   7.4208      ?      ? 
1 1 1   19   15   26 o  455.371   6.6272  561.398   16.307   0.0000   0.0000  561.398   16.307  ?   ?   455.371   6.6272      ?      ? 
1 1 1   19   15   27 o  140.767   6.7850   53.664   5.1611   0.0000   0.0000   53.664   5.1611  ?   ?   140.767   6.7850      ?      ? 
1 1 1   19   15   28 f  295.669   7.4449  236.967   11.895   0.0000   0.0000  236.967   11.895  ?   ?   295.669   7.4449      ?      ? 
1 1 1   19   15   29 o  516.970   7.9687  725.024   22.261   0.0000   0.0000  725.024   22.261  ?   ?   516.970   7.9687      ?      ? 
1 1 1   19   15   30 o  359.665   7.0871  350.851   12.741  354.279   22.918  349.317   15.329  360.492   11.765  358.839   7.9054 1.653748 14.17414 
1 1 1   19   15   31 o  105.633   10.882   32.542   4.2193   29.167   10.700   33.163   4.5914  100.712   20.362  110.554   7.6856 -9.841675 21.76405 
1 1 1   19   15   32 f   74.462   13.219   16.826   4.9657   11.615   10.163   18.461   5.6913   66.823   23.117   82.101   12.828 -15.27737 26.43753 
1 1 1   19   15   33 o  145.197   7.0631   59.225   5.2176   51.947   8.7213   63.282   6.5113  137.790   11.713  152.603   7.8962 -14.81314 14.12621 
1 1 1   19   15   34 o  127.743   7.2427   42.099   4.6954   51.694   8.5374   37.938   5.6220  137.436   11.496  118.049   8.8134 19.38690 14.48541 
1 1 1   19   15   35 o  137.647   7.0647   52.467   4.9184   49.566   8.5003   53.927   6.0303  134.481   11.697  140.813   7.9252 -6.331848 14.12931 
1 1 1   19   15   36 o   93.992   8.9939   21.816   4.2885   32.420   7.9216   17.419   5.1006  108.358   13.529   79.626   11.854 28.73222 17.98771 
1 1 1   19   15   37 o   73.337   11.649   14.412   4.1802   18.952   7.8506   12.616   4.9386   80.435   18.454   66.238   14.222 14.19654 23.29873 
1 1 1   19   15   38 o  283.250   5.4771  219.083   8.3282  214.458   12.439  222.839   11.212  280.386   8.2101  286.113   7.2519 -5.727112 10.95427 
1 1 1   19   15   39 o   42.362   11.993  -0.4586   4.2034   7.9908   7.5458  -4.2603   5.0615   55.812   19.870   28.912   13.437 26.89935 23.98649 
1 1 1   19   15   40 o   90.040   10.529   23.930   4.7352   20.041   7.6424   26.352   6.0326   82.453   17.683   97.628   11.435 -15.17502 21.05857 
1 1 1   19   15   41 o   91.532   10.366   24.665   4.6799   21.358   7.7979   26.526   5.8506   85.105   17.540   97.959   11.053 -12.85374 20.73166 
1 1 1   19   15   42 o  146.269   6.8129   59.701   5.1193   56.347   8.5633   61.567   6.3862  142.564   11.116  149.974   7.8802 -7.409088 13.62573 
1 1 1   19   15   43 o  129.360   7.6194   48.415   4.9447   40.260   8.3231   52.863   6.1471  119.879   12.849  138.840   8.1935 -18.96117 15.23872 
1 1 1   19   15   44 o   50.608   12.783   5.6571   4.3167   10.460   7.4163   3.1962   5.3087   59.938   19.749   41.279   16.236 18.65847 25.56587 
1 1 1   19   15   45 o  206.657   7.6448  117.171   8.5369   0.0000   0.0000  117.171   8.5369  ?   ?   206.657   7.6448      ?      ? 
1 1 1   19   15   46 o  244.797   7.3002  167.512   8.6570  165.338   16.270  168.371   10.224  242.036   12.440  247.559   7.6432 -5.523224 14.60038 
1 1 1   19   15   47 o  222.769   8.3648  146.512   9.5155  110.135   14.805  172.117   12.421  196.281   13.958  249.258   9.2218 -52.97665 16.72964 
1 1 1   19   15   48 o   45.091   20.928  -6.5360   12.217  -6.5360   12.217   0.0000   0.0000   45.091   20.928  ?   ?       ?      ? 
1 1 1   19   15   50 o   51.942   16.169   2.3440   8.5130   3.0315   10.515   1.0363   14.502   49.999   21.519   53.884   24.139 -3.884815 32.33811 
1 1 1   19   15   51 o  123.791   14.741   50.425   9.2843   54.392   12.113   44.775   14.456  133.876   16.743  113.706   24.266 20.17015 29.48226 
1 1 1   19   15   52 o  156.059   9.9942   79.228   7.1985   51.081   12.504   93.180   8.8037  129.339   17.891  182.780   8.9135 -53.44095 19.98842 
1 1 1   19   15   53 f  102.033   10.150   31.381   5.5218   29.991   8.3674   32.453   7.3493   99.082   15.628  104.984   12.955 -5.901283 20.29948 
1 1 1   19   15   54 o   38.754   12.121  -2.3578   5.2574   5.8065   8.0142  -8.5256   6.9657   47.861   19.555   29.648   14.328 18.21339 24.24193 
1 1 1   19   15   55 o  131.120   8.2484   50.183   5.7964   53.233   8.8687   47.909   7.6586  134.035   12.245  128.206   11.055 5.828857 16.49684 
1 1 1   19   16    1 f  721.340   9.3574  1409.22   36.472  1408.65   51.863  1409.78   51.299  721.186   13.308  721.493   13.158 -0.3067017 18.71477 
1 1 1   19   16    2 o  573.189   7.9094  888.551   24.489  863.042   34.091  915.748   35.201  564.696   11.172  581.682   11.199 -16.98511 15.81877 
1 1 1   19   16    3 o  868.577   10.864  2044.27   50.979  2013.22   71.168  2077.00   73.059  861.820   15.282  875.334   15.446 -13.51404 21.72818 
1 1 1   19   16    4 f  330.169   6.5208  294.865   11.632  295.836   16.617  293.932   16.287  330.699   9.2992  329.640   9.1437 1.059082 13.04153 
1 1 1   19   16    5 o   54.240   16.917  -8.4821   8.0049 -12.5469   8.9762   7.3086   17.692   34.976   16.737   73.504   29.404 -38.52801 33.83372 
1 1 1   19   16    6 o   72.965   21.109   2.4414   13.405   13.676   20.774  -5.5743   17.547   84.899   32.462   61.031   26.992 23.86761 42.21793 
1 1 1   19   16    7 o  684.480   13.080  1270.74   48.339  1221.85   66.719  1324.78   70.132  670.660   18.410  698.300   18.586 -27.64075 26.16073 
1 1 1   19   16    8 o  258.145   11.845  181.565   16.423  174.144   24.313  187.793   22.272  253.199   17.770  263.091   15.666 -9.891800 23.68953 
1 1 1   19   16    9 o  195.711   12.181  107.859   9.8609   98.108   22.757  110.113   10.941  189.725   22.198  201.697   10.039 -11.97180 24.36229 
1 1 1   19   16   10 o  406.382   6.6634  447.044   14.628  435.964   20.743  458.005   20.632  401.361   9.5642  411.402   9.2807 -10.04086 13.32689 
1 1 1   19   16   11 o  179.198   7.1612   86.783   6.9284   82.337   9.5932   91.631   10.017  174.406   10.179  183.990   10.075 -9.584213 14.32231 
1 1 1   19   16   13 o  314.637   6.3158  267.927   9.9703  267.793   17.778  267.989   12.042  314.488   10.461  314.786   7.0797 -0.2980957 12.63169 
1 1 1   19   16   14 o  448.323   6.7505  543.593   16.354   0.0000   0.0000  543.593   16.354  ?   ?   448.323   6.7505      ?      ? 
1 1 1   19   16   15 o  211.015   11.564  120.698   13.186   0.0000   0.0000  120.698   13.186  ?   ?   211.015   11.564      ?      ? 
1 1 1   19   16   16 o  255.244   7.9754  176.314   11.000   0.0000   0.0000  176.314   11.000  ?   ?   255.244   7.9754      ?      ? 
1 1 1   19   16   17 o  317.612   9.5801  273.223   16.442   0.0000   0.0000  273.223   16.442  ?   ?   317.612   9.5801      ?      ? 
1 1 1   19   16   18 o  316.248   6.1062  270.499   10.435   0.0000   0.0000  270.499   10.435  ?   ?   316.248   6.1062      ?      ? 
1 1 1   19   16   19 o  341.915   8.1237  316.476   15.009   0.0000   0.0000  316.476   15.009  ?   ?   341.915   8.1237      ?      ? 
1 1 1   19   16   20 o  223.438   6.3136  135.061   7.6229   0.0000   0.0000  135.061   7.6229  ?   ?   223.438   6.3136      ?      ? 
1 1 1   19   16   22 o  271.557   7.7309  199.715   11.344   0.0000   0.0000  199.715   11.344  ?   ?   271.557   7.7309      ?      ? 
1 1 1   19   16   23 o  235.812   9.6769  150.845   12.331   0.0000   0.0000  150.845   12.331  ?   ?   235.812   9.6769      ?      ? 
1 1 1   19   16   24 o  200.042   7.4061  108.392   8.0057   0.0000   0.0000  108.392   8.0057  ?   ?   200.042   7.4061      ?      ? 
1 1 1   19   16   25 o  175.077   7.5547   83.056   7.1472   0.0000   0.0000   83.056   7.1472  ?   ?   175.077   7.5547      ?      ? 
1 1 1   19   16   26 o  207.530   6.2626  116.627   7.0231   0.0000   0.0000  116.627   7.0231  ?   ?   207.530   6.2626      ?      ? 
1 1 1   19   16   27 o  176.161   8.4544   84.227   8.0479   0.0000   0.0000   84.227   8.0479  ?   ?   176.161   8.4544      ?      ? 
1 1 1   19   16   28 o  314.206   7.6412  267.741   12.974   0.0000   0.0000  267.741   12.974  ?   ?   314.206   7.6412      ?      ? 
1 1 1   19   16   29 o  123.647   7.5548   41.470   5.0477   0.0000   0.0000   41.470   5.0477  ?   ?   123.647   7.5548      ?      ? 
1 1 1   19   16   30 o  320.053   6.1575  277.585   10.649   0.0000   0.0000  277.585   10.649  ?   ?   320.053   6.1575      ?      ? 
1 1 1   19   16   31 o  441.497   7.4164  540.304   15.286  514.640   30.242  549.112   17.716  433.237   12.918  449.758   7.2897 -16.52032 14.83289 
1 1 1   19   16   32 o  196.000   6.7859  109.279   5.7482   97.050   12.436  112.602   6.4822  188.189   12.229  203.811   5.8858 -15.62227 13.57172 
1 1 1   19   16   33 o  100.296   10.101   29.356   4.9730   24.053   8.1943   32.448   6.2570   91.623   17.182  108.969   10.626 -17.34667 20.20251 
1 1 1   19   16   34 o  233.049   7.5168  147.658   9.4661   0.0000   0.0000  147.658   9.4661  ?   ?   233.049   7.5168      ?      ? 
1 1 1   19   16   35 o   49.183   11.952   5.4695   4.5694  -5.2573   8.0061   10.652   5.5647   37.634   17.277   60.732   16.519 -23.09873 23.90345 
1 1 1   19   16   36 o  124.641   8.7724   42.418   5.9083   0.0000   0.0000   42.418   5.9083  ?   ?   124.641   8.7724      ?      ? 
1 1 1   19   16   37 o  148.917   7.5523   67.312   5.4477   41.623   8.7368   83.654   6.9683  122.567   13.191  175.267   7.3576 -52.70016 15.10453 
1 1 1   19   16   38 o  103.634   8.9138   29.161   4.7162   31.628   8.2704   27.971   5.7411  106.424   14.381  100.844   10.536 5.580269 17.82751 
1 1 1   19   16   39 o   34.362   10.949  -2.1292   4.1115  -5.4664   7.3931  -0.6349   4.9471   35.311   16.351   33.414   14.568 1.897057 21.89892 
1 1 1   19   16   40 o   40.987   11.967   1.8392   4.3208  -3.1665   7.8136   4.0443   5.1859   38.889   17.544   43.085   16.280 -4.195324 23.93421 
1 1 1   19   16   41 o  141.164   6.9359   53.538   5.0417   59.644   8.7360   50.489   6.1736  146.664   11.023  135.663   8.4214 11.00060 13.87183 
1 1 1   19   16   42 o  140.719   10.188   53.485   5.7575   59.910   14.381   52.258   6.2830  143.461   18.551  137.978   8.4270 5.483292 20.37546 
1 1 1   19   16   43 o  310.272   8.1860  272.849   13.464  219.707   19.416  322.072   18.686  279.557   12.853  340.988   10.141 -61.43106 16.37195 
1 1 1   19   16   44 o  162.815   10.299   84.373   7.6835   56.329   13.788   97.004   9.2535  138.229   18.459  187.401   9.1379 -49.17149 20.59712 
1 1 1   19   16   45 o  271.946   8.0733  211.471   11.504  187.410   17.978  228.153   14.970  257.173   12.937  286.718   9.6620 -29.54480 16.14661 
1 1 1   19   16   46 o   40.148   19.529 -19.1036   13.496 -19.1036   13.496   0.0000   0.0000   40.148   19.529  ?   ?       ?      ? 
1 1 1   19   16   47 o   75.128   15.973   19.049   8.5381   29.369   10.562  -0.4124   14.504   96.288   20.899   53.967   24.161 42.32095 31.94558 
1 1 1   19   16   48 o  148.767   12.244   64.475   9.5407   59.707   11.938   72.905   15.874  142.772   15.473  154.763   18.981 -11.99048 24.48884 
1 1 1   19   16   49 o   93.225   16.307   31.119   8.6281   37.860   10.981   20.241   13.948  111.057   18.298   75.392   26.996 35.66568 32.61333 
1 1 1   19   16   50 o   46.649   14.047  -0.3990   5.8060   10.662   10.974  -4.6986   6.8420   60.021   23.421   33.277   15.517 26.74423 28.09458 
1 1 1   19   16   52 o   68.903   14.151   16.434   5.7066   12.825   8.7768   19.076   7.5110   61.582   21.472   76.224   18.437 -14.64141 28.30113 
1 1 1   19   16   53 o  133.423   8.8540   52.952   6.2971   52.272   9.6576   53.455   8.3054  131.615   13.579  135.231   11.366 -3.616699 17.70809 
1 1 1   19   16   54 o  233.212   8.5153  153.677   10.731   0.0000   0.0000  153.677   10.731  ?   ?   233.212   8.5153      ?      ? 
1 1 1   19   17    0 o  604.012   11.688  988.076   38.149   0.0000   0.0000  988.076   38.149  ?   ?   604.012   11.688      ?      ? 
1 1 1   19   17    1 o  383.812   9.4066  398.636   19.509   0.0000   0.0000  398.636   19.509  ?   ?   383.812   9.4066      ?      ? 
1 1 1   19   17    2 o  522.828   10.549  740.017   29.802   0.0000   0.0000  740.017   29.802  ?   ?   522.828   10.549      ?      ? 
1 1 1   19   17    3 o  459.160   7.1104  570.834   17.635  563.484   25.200  577.888   24.686  456.249   10.222  462.071   9.8869 -5.822815 14.22078 
1 1 1   19   17    4 o  557.269   10.957  840.882   32.995   0.0000   0.0000  840.882   32.995  ?   ?   557.269   10.957      ?      ? 
1 1 1   19   17    5 o  733.395   13.361  1457.93   52.948   0.0000   0.0000  1457.93   52.948  ?   ?   733.395   13.361      ?      ? 
1 1 1   19   17    7 o  186.027   7.6905   93.637   7.7271   95.738   11.137   91.687   10.730  188.034   10.960  184.019   10.791 4.015060 15.38101 
1 1 1   19   17    8 o  167.396   8.1456   75.884   7.3630   79.825   10.500   72.072   10.328  171.679   11.319  163.114   11.717 8.565125 16.29124 
1 1 1   19   17    9 o  131.846   20.461   50.408   14.322   38.694   22.113   58.874   18.798  116.900   33.362  146.792   23.699 -29.89129 40.92262 
1 1 1   19   17   10 o  134.830   19.852   51.921   14.184   41.532   20.846   60.878   19.356  120.490   31.619  149.170   24.013 -28.67995 39.70411 
1 1 1   19   17   11 o  276.941   11.907  209.451   17.680  201.329   26.421  216.036   23.791  271.930   17.981  281.953   15.615 -10.02231 23.81477 
1 1 1   19   17   12 o  242.340   10.201  159.094   13.359   0.0000   0.0000  159.094   13.359  ?   ?   242.340   10.201      ?      ? 
1 1 1   19   17   13 o  150.093   9.8881   61.023   8.0197   0.0000   0.0000   61.023   8.0197  ?   ?   150.093   9.8881      ?      ? 
1 1 1   19   17   14 o  609.734   9.4427  1006.89   31.112   0.0000   0.0000  1006.89   31.112  ?   ?   609.734   9.4427      ?      ? 
1 1 1   19   17   15 o  213.986   8.6211  123.974   9.9686   0.0000   0.0000  123.974   9.9686  ?   ?   213.986   8.6211      ?      ? 
1 1 1   19   17   16 o  380.679   9.9716  392.684   20.512   0.0000   0.0000  392.684   20.512  ?   ?   380.679   9.9716      ?      ? 
1 1 1   19   17   17 o  220.856   6.8934  131.985   8.2268   0.0000   0.0000  131.985   8.2268  ?   ?   220.856   6.8934      ?      ? 
1 1 1   19   17   18 o  377.930   8.4652  386.864   17.288   0.0000   0.0000  386.864   17.288  ?   ?   377.930   8.4652      ?      ? 
1 1 1   19   17   19 o  200.889   6.8956  109.233   7.4854   0.0000   0.0000  109.233   7.4854  ?   ?   200.889   6.8956      ?      ? 
1 1 1   19   17   20 o  626.544   12.106  1067.03   40.987   0.0000   0.0000  1067.03   40.987  ?   ?   626.544   12.106      ?      ? 
1 1 1   19   17   21 o  221.327   7.5469  132.682   9.0259   0.0000   0.0000  132.682   9.0259  ?   ?   221.327   7.5469      ?      ? 
1 1 1   19   17   23 o  130.660   8.2851   46.289   5.8496   0.0000   0.0000   46.289   5.8496  ?   ?   130.660   8.2851      ?      ? 
1 1 1   19   17   24 o   59.914   15.314   10.204   4.9768   0.0000   0.0000   10.204   4.9768  ?   ?    59.914   15.314      ?      ? 
1 1 1   19   17   25 o  274.959   5.8911  204.716   8.7529   0.0000   0.0000  204.716   8.7529  ?   ?   274.959   5.8911      ?      ? 
1 1 1   19   17   26 o  140.564   13.008   53.963   9.8803   0.0000   0.0000   53.963   9.8803  ?   ?   140.564   13.008      ?      ? 
1 1 1   19   17   27 f  136.928   7.5215   50.853   5.5653   0.0000   0.0000   50.853   5.5653  ?   ?   136.928   7.5215      ?      ? 
1 1 1   19   17   28 o  353.011   8.0175  338.357   15.294   0.0000   0.0000  338.357   15.294  ?   ?   353.011   8.0175      ?      ? 
1 1 1   19   17   29 o   86.583   10.314   20.441   4.8253   0.0000   0.0000   20.441   4.8253  ?   ?    86.583   10.314      ?      ? 
1 1 1   19   17   30 o  209.197   5.9137  118.630   6.6850   0.0000   0.0000  118.630   6.6850  ?   ?   209.197   5.9137      ?      ? 
1 1 1   19   17   31 o  382.174   7.3771  393.540   14.030  412.612   25.657  385.404   16.757  387.925   12.240  376.423   8.2383 11.50186 14.75414 
1 1 1   19   17   32 o  216.688   6.8529  127.991   6.3153  128.333   14.404  127.910   7.0268  216.207   12.329  217.170   5.9878 -0.9627838 13.70574 
1 1 1   19   17   33 o  412.757   12.812  469.369   28.576  469.369   28.576   0.0000   0.0000  412.757   12.812  ?   ?       ?      ? 
1 1 1   19   17   34 o  114.187   11.200   35.819   6.9107   0.0000   0.0000   35.819   6.9107  ?   ?   114.187   11.200      ?      ? 
1 1 1   19   17   35 o  118.889   8.5478   39.475   5.2272   37.275   8.7209   40.709   6.5302  115.875   13.928  121.902   9.9135 -6.026695 17.09560 
1 1 1   19   17   36 o   45.696   11.961   3.0401   4.7604  -9.1236   8.2246   9.1680   5.8376   34.657   16.423   56.735   17.392 -22.07724 23.92124 
1 1 1   19   17   37 o   99.243   9.7455   27.655   4.9077   26.939   8.4762   28.016   6.0192   97.710   16.054  100.775   11.053 -3.065468 19.49103 
1 1 1   19   17   38 o  169.785   12.934  108.291   7.6568   48.086   16.114  125.848   8.7019  124.870   24.757  214.701   7.5005 -89.83146 25.86790 
1 1 1   19   17   39 o   79.054   13.560   24.082   6.0570  -1.4417   14.347   29.617   6.6817   54.880   24.332  103.228   11.978 -48.34792 27.12096 
1 1 1   19   17   40 o   90.043   14.595   27.989   6.0458   16.761   13.576   30.766   6.7522   75.005   26.658  105.081   11.891 -30.07602 29.18961 
1 1 1   19   17   41 o  202.626   8.7986  116.632   8.4689  110.878   16.233  118.784   9.9270  197.423   15.216  207.829   8.8394 -10.40605 17.59726 
1 1 1   19   17   42 o  127.749   12.703   50.383   6.7561   43.874   14.302   52.252   7.6652  118.265   23.209  137.234   10.337 -18.96937 25.40630 
1 1 1   19   17   43 o   43.879   19.048   0.3024   8.3829   0.3024   8.3829   0.0000   0.0000   43.879   19.048  ?   ?       ?      ? 
1 1 1   19   17   44 o   61.962   16.389   9.8604   8.1332   16.622   10.328  -1.1757   13.196   72.299   23.271   51.625   23.083 20.67442 32.77786 
1 1 1   19   17   45 o  179.556   10.373   92.065   9.8588   89.640   12.669   95.788   15.698  177.605   13.201  181.506   16.006 -3.901154 20.74687 
1 1 1   19   17   46 o   87.138   16.427   20.014   8.1198   9.2365   9.7634   44.189   14.622   58.456   22.278  115.821   24.146 -57.36524 32.85332 
1 1 1   19   17   47 o   83.587   18.171   23.368   8.7499   20.955   10.959   27.613   14.533   79.106   23.741   88.069   27.516 -8.963470 36.34246 
1 1 1   19   17   48 o   94.342   13.257   31.380   5.9242   20.146   10.902   36.086   7.0570   76.251   23.834  112.433   11.616 -36.18256 26.51334 
1 1 1   19   17   49 o  228.417   8.1144  144.988   10.015   0.0000   0.0000  144.988   10.015  ?   ?   228.417   8.1144      ?      ? 
1 1 1   19   17   51 o   95.618   11.985   29.865   5.7917   23.545   8.9589   34.403   7.5912   83.273   20.132  107.963   13.012 -24.68977 23.97076 
1 1 1   19   17   52 f   70.193   14.064   16.252   5.7218   24.725   9.0200   10.547   7.4017   84.399   20.071   55.987   19.706 28.41294 28.12791 
1 1 1   19   17   53 o  150.262   7.9840   65.567   6.4186   68.708   9.8702   63.266   8.4491  152.669   11.964  147.854   10.575 4.815063 15.96807 
1 1 1   19   18    1 f  484.598   7.2558  635.156   18.990  611.712   26.365  660.432   27.375  475.314   10.265  493.881   10.258 -18.56674 14.51156 
1 1 1   19   18    2 o  554.941   7.8104  833.803   23.411  846.058   33.694  822.364   32.552  558.867   11.157  551.014   10.933 7.852783 15.62076 
1 1 1   19   18    3 o  412.049   6.8109  459.623   15.158  460.526   21.777  458.775   21.112  412.429   9.7714  411.668   9.4907 0.7606201 13.62185 
1 1 1   19   18    5 o  109.928   12.004   33.717   6.8512   27.353   9.7411   39.946   9.6379   98.571   18.977  121.284   14.706 -22.71243 24.00792 
1 1 1   19   18    6 o  420.351   6.8656  478.239   15.583  485.125   22.545  471.939   21.563  423.231   9.8578  417.470   9.5588 5.761627 13.73122 
1 1 1   19   18    8 o  416.246   6.8908  469.295   15.493  452.012   21.818  486.876   22.004  408.500   9.8839  423.991   9.6043 -15.49121 13.78160 
1 1 1   19   18    9 o  461.566   7.1388  576.400   17.782  591.491   25.938  563.016   24.426  467.237   10.273  455.895   9.9152 11.34161 14.27762 
1 1 1   19   18   10 o  203.214   7.3118  111.927   8.0258  115.622   11.353  108.235   11.348  206.577   10.170  199.850   10.508 6.727310 14.62355 
1 1 1   19   18   12 o  309.858   6.8019  260.812   10.970  257.432   18.077  262.783   13.802  308.151   10.856  311.565   8.1980 -3.413330 13.60379 
1 1 1   19   18   14 o  124.421   16.890   42.213   11.356   0.0000   0.0000   42.213   11.356  ?   ?   124.421   16.890      ?      ? 
1 1 1   19   18   18 f   63.417   23.463   8.8220   10.657   0.0000   0.0000   8.8220   10.657  ?   ?    63.417   23.463      ?      ? 
1 1 1   19   18   19 o  424.594   7.6723  488.405   17.603   0.0000   0.0000  488.405   17.603  ?   ?   424.594   7.6723      ?      ? 
1 1 1   19   18   20 o  213.304   8.2375  123.341   9.4947   0.0000   0.0000  123.341   9.4947  ?   ?   213.304   8.2375      ?      ? 
1 1 1   19   18   21 o  306.894   6.2364  255.007   10.342   0.0000   0.0000  255.007   10.342  ?   ?   306.894   6.2364      ?      ? 
1 1 1   19   18   22 o  213.685   8.0415  123.854   9.2853   0.0000   0.0000  123.854   9.2853  ?   ?   213.685   8.0415      ?      ? 
1 1 1   19   18   23 o  251.423   6.6029  171.269   8.9707   0.0000   0.0000  171.269   8.9707  ?   ?   251.423   6.6029      ?      ? 
1 1 1   19   18   24 o  174.187   6.9766   82.234   6.5667   0.0000   0.0000   82.234   6.5667  ?   ?   174.187   6.9766      ?      ? 
1 1 1   19   18   25 o  189.616   11.190   97.984   11.465   0.0000   0.0000   97.984   11.465  ?   ?   189.616   11.190      ?      ? 
1 1 1   19   18   26 o  105.727   9.6995   30.421   5.5414   0.0000   0.0000   30.421   5.5414  ?   ?   105.727   9.6995      ?      ? 
1 1 1   19   18   27 o  116.047   8.7972   36.629   5.5165   0.0000   0.0000   36.629   5.5165  ?   ?   116.047   8.7972      ?      ? 
1 1 1   19   18   28 o  110.250   8.9916   33.089   5.3567   0.0000   0.0000   33.089   5.3567  ?   ?   110.250   8.9916      ?      ? 
1 1 1   19   18   29 o  152.897   7.1019   63.475   5.8676   0.0000   0.0000   63.475   5.8676  ?   ?   152.897   7.1019      ?      ? 
1 1 1   19   18   30 o  202.675   8.0564  111.735   8.8233   0.0000   0.0000  111.735   8.8233  ?   ?   202.675   8.0564      ?      ? 
1 1 1   19   18   31 o   63.403   14.251   11.538   4.7638   0.0000   0.0000   11.538   4.7638  ?   ?    63.403   14.251      ?      ? 
1 1 1   19   18   32 o  283.813   6.9872  218.633   9.8387  224.932   18.002  215.951   11.749  286.008   11.648  281.619   7.7203 4.388580 13.97438 
1 1 1   19   18   33 o  144.336   8.0629   50.432   4.8677   68.851   12.147   46.908   5.3129  157.419   14.280  131.253   7.4910 26.16615 16.12577 
1 1 1   19   18   34 o   98.827   13.205   27.067   7.0520   0.0000   0.0000   27.067   7.0520  ?   ?    98.827   13.205      ?      ? 
1 1 1   19   18   35 o  130.631   13.164   48.681   7.6546   50.293   15.669   48.176   8.7726  129.346   23.274  131.915   12.307 -2.568848 26.32784 
1 1 1   19   18   36 o   42.809   13.949  -3.9519   6.5293 -13.9527   14.315  -1.3248   7.3370   45.805   21.695   39.812   17.538 5.993004 27.89734 
1 1 1   19   18   37 o  120.183   13.178   39.116   7.0046   48.018   15.081   36.667   7.9096  125.640   23.063  114.727   12.759 10.91299 26.35654 
1 1 1   19   18   38 o  162.528   18.507   76.554   16.254   76.554   16.254   0.0000   0.0000  162.528   18.507  ?   ?       ?      ? 
1 1 1   19   18   39 o  158.189   11.468   69.594   9.8028   69.594   9.8028   0.0000   0.0000  158.189   11.468  ?   ?       ?      ? 
1 1 1   19   18   40 o   52.442   15.028   1.4944   7.8028   11.514   9.7682 -16.1689   12.970   63.749   22.617   41.135   19.797 22.61410 30.05698 
1 1 1   19   18   41 o   51.349   15.612  -0.3129   7.6425  -5.0428   9.5155   8.2838   12.828   40.957   18.815   61.741   24.918 -20.78362 31.22342 
1 1 1   19   18   42 o   60.348   16.818   8.5864   7.7913   7.8086   9.6791   10.018   13.132   56.819   22.044   63.877   25.404 -7.057961 33.63517 
1 1 1   19   18   43 o  135.051   13.018   54.876   9.1318   56.982   11.627   51.486   14.753  140.379   15.328  129.723   21.047 10.65620 26.03632 
1 1 1   19   18   44 o  104.059   16.524   33.289   8.8848   26.914   11.189   44.167   14.616   91.327   22.756  116.791   23.964 -25.46474 33.04702 
1 1 1   19   18   45 o   77.145   14.619   17.088   5.6110   24.257   11.174   14.671   6.4883   85.369   23.487   68.922   17.415 16.44666 29.23872 
1 1 1   19   18   46 f  152.861   7.3185   65.007   5.8766   67.883   9.5742   63.268   7.4438  154.929   11.436  150.793   9.1353 4.135391 14.63699 
1 1 1   19   18   47 f   60.605   14.025   11.698   5.1752   11.563   8.7144   11.772   6.4323   60.372   21.368   60.839   18.173 -0.4671021 28.05079 
1 1 1   19   18   48 o   61.200   14.029   12.200   5.4597   8.3336   8.7726   14.645   6.9752   54.802   21.062   67.598   18.539 -12.79586 28.05883 
1 1 1   19   18   49 o   76.372   17.713   18.346   7.1682   0.0000   0.0000   18.346   7.1682  ?   ?    76.372   17.713      ?      ? 
1 1 1   19   18   50 o  144.859   8.2920   62.983   6.2495   46.960   9.1312   77.102   8.5715  125.259   13.491  164.458   9.6453 -39.19959 16.58399 
1 1 1   19   18   51 o   39.947   12.519  -2.5617   5.5019   6.4127   8.7489  -8.4326   7.0762   49.801   20.399   30.093   14.518 19.70820 25.03777 
1 1 1   19   18   52 o   44.936   13.206   3.6314   5.6961  -3.1123   8.8582   8.3858   7.4378   38.443   17.835   51.429   19.482 -12.98577 26.41240 
1 1 1   19   19    0 o  293.067   6.8123  232.911   10.774  224.934   15.454  240.455   15.029  288.156   9.9250  297.977   9.3341 -9.821014 13.62465 
1 1 1   19   19    3 o  458.237   9.9743  568.872   24.698   0.0000   0.0000  568.872   24.698  ?   ?   458.237   9.9743      ?      ? 
1 1 1   19   19    6 o  432.744   6.9521  507.402   16.256  502.090   23.042  512.665   22.936  430.480   9.9057  435.008   9.7572 -4.527832 13.90416 
1 1 1   19   19    7 o  154.768   8.8068   64.915   7.3585   61.257   10.204   68.879   10.622  150.225   12.570  159.311   12.338 -9.086578 17.61364 
1 1 1   19   19    8 o  222.217   7.0480  133.438   8.4488  123.452   11.628  144.604   12.296  213.428   10.083  231.006   9.8507 -17.57768 14.09608 
1 1 1   19   19    9 o  565.169   7.9201  865.311   24.171  835.437   33.440  897.999   34.979  554.977   11.151  575.361   11.251 -20.38416 15.84018 
1 1 1   19   19   10 o  136.920   13.540   50.962   10.018   0.0000   0.0000   50.962   10.018  ?   ?   136.920   13.540      ?      ? 
1 1 1   19   19   11 o  232.794   6.5203  150.708   7.7652  134.234   12.907  160.052   9.7212  222.437   10.739  243.151   7.3987 -20.71356 13.04062 
1 1 1   19   19   12 o  254.814   6.4678  178.514   8.4864  167.387   14.127  184.795   10.615  248.382   10.526  261.247   7.5194 -12.86438 12.93559 
1 1 1   19   19   13 o  137.511   9.7364   51.285   7.2348   0.0000   0.0000   51.285   7.2348  ?   ?   137.511   9.7364      ?      ? 
1 1 1   19   19   14 o   49.319   18.177   5.2845   6.3842   0.0000   0.0000   5.2845   6.3842  ?   ?    49.319   18.177      ?      ? 
1 1 1   19   19   15 o  364.881   6.6009  360.408   13.015   0.0000   0.0000  360.408   13.015  ?   ?   364.881   6.6009      ?      ? 
1 1 1   19   19   16 o  236.702   6.8782  151.711   8.7976   0.0000   0.0000  151.711   8.7976  ?   ?   236.702   6.8782      ?      ? 
1 1 1   19   19   17 o  189.924   7.5740   97.736   7.7731   0.0000   0.0000   97.736   7.7731  ?   ?   189.924   7.5740      ?      ? 
1 1 1   19   19   18 o  123.117   14.088   41.392   9.3727   0.0000   0.0000   41.392   9.3727  ?   ?   123.117   14.088      ?      ? 
1 1 1   19   19   21 o  188.910   12.655   97.409   12.918   0.0000   0.0000   97.409   12.918  ?   ?   188.910   12.655      ?      ? 
1 1 1   19   19   22 o   80.567   24.019   18.497   11.245   0.0000   0.0000   18.497   11.245  ?   ?    80.567   24.019      ?      ? 
1 1 1   19   19   24 o  224.726   13.496  138.446   16.389   0.0000   0.0000  138.446   16.389  ?   ?   224.726   13.496      ?      ? 
1 1 1   19   19   25 o  124.677   17.156   43.094   11.558   0.0000   0.0000   43.094   11.558  ?   ?   124.677   17.156      ?      ? 
1 1 1   19   19   26 o  150.134   14.138   62.049   11.470   0.0000   0.0000   62.049   11.470  ?   ?   150.134   14.138      ?      ? 
1 1 1   19   19   27 o  217.533   13.180  130.045   15.492   0.0000   0.0000  130.045   15.492  ?   ?   217.533   13.180      ?      ? 
1 1 1   19   19   28 o  207.258   14.149  118.491   15.847   0.0000   0.0000  118.491   15.847  ?   ?   207.258   14.149      ?      ? 
1 1 1   19   19   34 o  136.004   16.165   52.297   11.880   52.297   11.880   0.0000   0.0000  136.004   16.165  ?   ?       ?      ? 
1 1 1   19   19   35 o  143.123   12.595   58.443   9.5426   57.680   12.303   59.595   15.119  142.751   15.949  143.496   19.498 -0.7452087 25.19024 
1 1 1   19   19   36 f   85.886   17.222   22.637   8.2395   20.653   10.640   25.608   13.023   81.761   23.075   90.011   25.573 -8.250008 34.44484 
1 1 1   19   19   37 o  123.724   13.563   45.901   8.5405   48.739   11.049   41.689   13.461  130.821   15.630  116.627   22.171 14.19376 27.12608 
1 1 1   19   19   38 o  110.122   14.549   36.075   8.2388   32.477   10.685   41.351   12.939  103.765   19.778  116.479   21.344 -12.71416 29.09832 
1 1 1   19   19   39 o   51.896   15.284  -1.9532   7.7452 -12.0293   10.110   12.365   12.051   37.028   17.730   66.763   24.901 -29.73464 30.56859 
1 1 1   19   19   40 o   37.533   12.370  -5.6760   5.3870  -2.7185   10.202  -6.8195   6.3436   44.673   20.110   30.392   14.408 14.28126 24.73907 
1 1 1   19   19   41 o  187.312   7.9799  100.445   7.2063   93.266   13.406  103.363   8.5461  180.904   13.714  193.721   8.1640 -12.81757 15.95974 
1 1 1   19   19   42 o   38.480   12.229  -2.9533   4.9834   1.4405   8.7254  -5.0805   6.0711   45.867   19.668   31.093   14.538 14.77346 24.45796 
1 1 1   19   19   43 o   37.461   11.705  -1.9760   4.9532 -10.4222   8.4142   2.5031   6.1274   33.415   16.046   41.506   17.044 -8.091118 23.40940 
1 1 1   19   19   44 o   36.445   11.707  -2.4303   4.8768  -4.7380   8.2686  -1.1993   6.0390   37.521   17.345   35.368   15.729 2.153683 23.41458 
1 1 1   19   19   45 o   47.171   13.299   4.7294   4.9337   4.9404   8.3266   4.6152   6.1246   49.319   20.015   45.023   17.516 4.296024 26.59765 
1 1 1   19   19   46 o  127.477   10.347   46.020   7.1278   0.0000   0.0000   46.020   7.1278  ?   ?   127.477   10.347      ?      ? 
1 1 1   19   19   47 o   84.693   12.646   21.795   5.5499   27.991   8.7689   17.654   7.1682   94.706   17.788   74.679   17.979 20.02731 25.29149 
1 1 1   19   19   48 o   47.282   13.695   3.8351   5.4655   7.2755   8.8501   1.7141   6.9489   53.146   20.944   41.417   17.650 11.72912 27.38975 
1 1 1   19   19   49 o   89.713   12.276   26.539   5.7236   24.520   8.8055   28.016   7.5318   84.016   19.732   95.409   14.609 -11.39323 24.55135 
1 1 1   19   19   50 o   85.231   12.303   25.978   5.7848   10.476   8.6994   38.266   7.7453   56.567   21.145  113.895   12.585 -57.32799 24.60696 
1 1 1   19   19   51 f  145.591   8.3510   63.520   6.4408   57.662   9.7878   67.994   8.5538  138.105   13.116  153.078   10.341 -14.97304 16.70197 
1 1 1   19   20    2 o  257.094   6.7383  178.729   9.3478  166.206   12.909  192.536   13.555  247.637   9.6467  266.551   9.4107 -18.91405 13.47661 
1 1 1   19   20    3 o   67.733   15.066   11.273   6.7826   19.688   9.5531   2.7193   9.6314   83.143   21.199   52.324   21.414 30.81837 30.13224 
1 1 1   19   20    4 o  109.881   12.596   34.014   7.1802   38.593   9.8214   28.758   10.524  119.023   15.271  100.739   20.037 18.28410 25.19287 
1 1 1   19   20    5 o  296.122   6.6386  237.340   10.609  221.281   14.726  254.673   15.299  285.706   9.5383  306.537   9.2360 -20.83130 13.27716 
1 1 1   19   20    7 o  208.321   10.958  117.806   12.336   0.0000   0.0000  117.806   12.336  ?   ?   208.321   10.958      ?      ? 
1 1 1   19   20   10 o  105.722   11.612   30.366   6.5976   28.889   8.7994   32.263   9.9708  102.847   15.834  108.598   16.991 -5.751068 23.22498 
1 1 1   19   20   11 o  550.205   8.9891  832.795   25.823  787.612   41.726  860.839   32.874  537.427   14.368  562.982   10.806 -25.55426 17.97824 
1 1 1   19   20   12 o  379.683   8.7637  390.896   17.980   0.0000   0.0000  390.896   17.980  ?   ?   379.683   8.7637      ?      ? 
1 1 1   19   20   13 o  207.865   7.3087  117.048   8.2094   0.0000   0.0000  117.048   8.2094  ?   ?   207.865   7.3087      ?      ? 
1 1 1   19   20   14 o  234.158   8.6277  148.721   10.917   0.0000   0.0000  148.721   10.917  ?   ?   234.158   8.6277      ?      ? 
1 1 1   19   20   15 o  174.458   8.1817   82.545   7.7130   0.0000   0.0000   82.545   7.7130  ?   ?   174.458   8.1817      ?      ? 
1 1 1   19   20   16 o  212.729   7.1273  122.649   8.1929   0.0000   0.0000  122.649   8.1929  ?   ?   212.729   7.1273      ?      ? 
1 1 1   19   20   17 o  433.137   9.1338  509.591   21.378   0.0000   0.0000  509.591   21.378  ?   ?   433.137   9.1338      ?      ? 
1 1 1   19   20   18 o  283.677   6.9697  218.100   10.684   0.0000   0.0000  218.100   10.684  ?   ?   283.677   6.9697      ?      ? 
1 1 1   19   20   19 o   76.038   16.680   16.508   6.6650   0.0000   0.0000   16.508   6.6650  ?   ?    76.038   16.680      ?      ? 
1 1 1   19   20   20 o  322.388   8.1925  282.156   14.272   0.0000   0.0000  282.156   14.272  ?   ?   322.388   8.1925      ?      ? 
1 1 1   19   20   21 o  111.511   12.662   34.017   7.6298   0.0000   0.0000   34.017   7.6298  ?   ?   111.511   12.662      ?      ? 
1 1 1   19   20   22 o  177.671   9.0983   85.894   8.7350   0.0000   0.0000   85.894   8.7350  ?   ?   177.671   9.0983      ?      ? 
1 1 1   19   20   23 o  201.585   8.4538  110.516   9.2087   0.0000   0.0000  110.516   9.2087  ?   ?   201.585   8.4538      ?      ? 
1 1 1   19   20   24 o  126.607   11.167   43.828   7.6401   0.0000   0.0000   43.828   7.6401  ?   ?   126.607   11.167      ?      ? 
1 1 1   19   20   25 o  243.781   8.0536  161.616   10.609   0.0000   0.0000  161.616   10.609  ?   ?   243.781   8.0536      ?      ? 
1 1 1   19   20   26 o  134.223   10.458   49.246   7.5855   0.0000   0.0000   49.246   7.5855  ?   ?   134.223   10.458      ?      ? 
1 1 1   19   20   28 o   40.826   19.212 -10.5983   10.896   0.0000   0.0000 -10.5983   10.896  ?   ?    40.826   19.212      ?      ? 
1 1 1   19   20   29 o   22.506   11.222 -14.1144   5.4968   0.0000   0.0000 -14.1144   5.4968  ?   ?    22.506   11.222      ?      ? 
1 1 1   19   20   30 o   31.291   14.267  -3.1682   5.3360   0.0000   0.0000  -3.1682   5.3360  ?   ?    31.291   14.267      ?      ? 
1 1 1   19   20   31 o   36.175   15.242   0.6639   5.0840   0.0000   0.0000   0.6639   5.0840  ?   ?    36.175   15.242      ?      ? 
1 1 1   19   20   32 o  128.201   8.2847   44.942   5.7392   0.0000   0.0000   44.942   5.7392  ?   ?   128.201   8.2847      ?      ? 
1 1 1   19   20   33 o  141.547   8.3071   51.517   5.1803   62.748   11.765   48.816   5.7698  149.470   14.566  133.624   7.9907 15.84631 16.61410 
1 1 1   19   20   34 o   68.187   13.306   14.576   4.6111   8.5946   10.969   15.859   5.0819   60.912   23.513   75.461   12.463 -14.54833 26.61157 
1 1 1   19   20   35 o  145.397   8.9225   59.595   6.0410   58.063   12.009   60.114   6.9897  142.863   15.556  147.930   8.7441 -5.066772 17.84498 
1 1 1   19   20   36 o  168.738   7.2037   79.774   6.4735   69.631   9.5709   88.326   8.7889  158.323   11.187  179.154   9.0786 -20.83095 14.40750 
1 1 1   19   20   37 o   46.005   13.485   2.6847   5.3880   2.9236   8.6036   2.5306   6.9110   48.147   20.024   43.863   18.067 4.284187 26.96976 
1 1 1   19   20   38 o   80.079   13.155   19.111   5.5013   22.129   8.7349   17.126   7.0824   84.935   19.451   75.223   17.716 9.711731 26.30950 
1 1 1   19   20   39 o   39.102   12.280  -2.0087   5.3643  -8.0880   8.6830   1.7438   6.8218   36.076   17.029   42.128   17.697 -6.051315 24.56004 
1 1 1   19   20   40 o   79.485   12.299   16.686   5.3319   31.489   9.0115   8.7124   6.6138  104.036   16.030   54.934   18.659 49.10181 24.59892 
1 1 1   19   20   41 o   84.519   12.298   24.478   5.5505   9.9715   8.8328   33.944   7.1352   59.306   21.452  109.731   12.033 -50.42543 24.59680 
1 1 1   19   20   42 o  244.297   8.1180  164.845   10.717   0.0000   0.0000  164.845   10.717  ?   ?   244.297   8.1180      ?      ? 
1 1 1   19   20   43 o   93.170   11.249   24.425   5.3699   31.302   9.2164   20.891   6.6073  102.757   16.598   83.584   15.188 19.17340 22.49868 
1 1 1   19   20   44 o  195.537   6.8911  110.021   7.0575   93.278   10.854  122.285   9.2894  181.236   11.083  209.837   8.1925 -28.60075 13.78218 
1 1 1   19   20   45 o   98.980   11.666   31.826   5.6471   22.567   8.9565   37.936   7.2755   82.878   20.186  115.083   11.699 -32.20442 23.33157 
1 1 1   19   20   46 o  116.092   11.939   38.531   7.4898   0.0000   0.0000   38.531   7.4898  ?   ?   116.092   11.939      ?      ? 
1 1 1   19   20   47 o   43.538   13.051   1.4334   5.3775   6.4564   8.3469  -2.1307   7.0310   50.729   20.229   36.347   16.496 14.38153 26.10280 
1 1 1   19   20   48 o  117.248   9.5713   42.430   5.9035   37.167   8.9963   46.410   7.8237  108.977   15.277  125.520   11.535 -16.54294 19.14267 
1 1 1   19   20   49 o  185.850   7.1342   99.826   7.0750   85.686   10.245  112.719   9.7827  172.145   11.013  199.556   9.0720 -27.41170 14.26850 
1 1 1   19   20   50 o   52.008   13.986   9.0606   5.4886   6.8962   8.7887   10.444   7.0275   49.229   20.336   54.787   19.207 -5.557865 27.97243 
1 1 1   19   21    0 o  105.132   14.513   31.197   7.9167   29.234   10.624   33.649   11.871  101.438   20.093  108.826   20.948 -7.387299 29.02620 
1 1 1   19   21    1 o  348.512   8.4136  329.185   15.819  354.955   23.068  306.306   21.735  361.364   11.813  335.659   11.983 25.70499 16.82716 
1 1 1   19   21    2 o  579.990   11.027  917.236   34.527  948.198   50.187  889.414   47.574  589.203   15.763  570.777   15.425 18.42523 22.05434 
1 1 1   19   21    3 o  207.264   8.7440  116.514   9.7455  113.559   13.079  120.203   14.612  204.376   11.843  210.152   12.868 -5.776291 17.48808 
1 1 1   19   21    4 o  269.372   8.1432  197.072   11.838  211.284   16.986  183.649   16.508  278.842   11.273  259.902   11.754 18.93936 16.28635 
1 1 1   19   21    5 o  104.490   14.681   30.854   7.9790   27.477   10.801   34.910   11.838   98.054   21.017  110.927   20.504 -12.87383 29.36239 
1 1 1   19   21    6 o  357.717   8.3291  347.940   16.096  359.234   22.912  336.937   22.616  363.469   11.666  351.964   11.891 11.50467 16.65810 
1 1 1   19   21    7 o  221.155   8.3771  133.736   9.9485  149.144   13.965  117.860   14.176  234.255   11.032  208.055   12.609 26.20020 16.75411 
1 1 1   19   21    8 o  151.199   10.101   62.573   8.2181   64.572   11.233   60.270   12.055  153.887   13.508  148.512   15.022 5.374756 20.20211 
1 1 1   19   21    9 o  169.805   8.6690   77.077   7.8715   68.739   10.268   88.964   12.259  158.904   11.958  180.706   12.554 -21.80272 17.33796 
1 1 1   19   21   10 o  115.821   11.638   35.403   6.7924   23.401   8.6835   54.324   10.903   90.651   18.356  140.992   14.311 -50.34077 23.27555 
1 1 1   19   21   11 o  346.362   8.0697  322.890   15.016  366.892   22.716  288.739   20.012  367.070   11.452  325.654   11.372 41.41644 16.13943 
1 1 1   19   21   12 o  241.040   9.0672  157.784   11.810   0.0000   0.0000  157.784   11.810  ?   ?   241.040   9.0672      ?      ? 
1 1 1   19   21   16 o  187.890   9.7084   95.996   9.8569   0.0000   0.0000   95.996   9.8569  ?   ?   187.890   9.7084      ?      ? 
1 1 1   19   21   17 o  118.415   13.392   38.386   8.5691   0.0000   0.0000   38.386   8.5691  ?   ?   118.415   13.392      ?      ? 
1 1 1   19   21   18 o   78.918   18.125   17.928   7.5664   0.0000   0.0000   17.928   7.5664  ?   ?    78.918   18.125      ?      ? 
1 1 1   19   21   19 o   69.927   18.952   14.076   7.3400   0.0000   0.0000   14.076   7.3400  ?   ?    69.927   18.952      ?      ? 
1 1 1   19   21   20 o  141.627   10.664   54.761   8.1613   0.0000   0.0000   54.761   8.1613  ?   ?   141.627   10.664      ?      ? 
1 1 1   19   21   21 f  263.801   11.417  190.367   16.274   0.0000   0.0000  190.367   16.274  ?   ?   263.801   11.417      ?      ? 
1 1 1   19   21   22 o  277.129   8.3665  208.945   12.529   0.0000   0.0000  208.945   12.529  ?   ?   277.129   8.3665      ?      ? 
1 1 1   19   21   23 o  102.951   11.196   29.011   6.2285   0.0000   0.0000   29.011   6.2285  ?   ?   102.951   11.196      ?      ? 
1 1 1   19   21   25 o   76.011   15.759   16.649   6.2605   0.0000   0.0000   16.649   6.2605  ?   ?    76.011   15.759      ?      ? 
1 1 1   19   21   26 o  151.385   8.4601   62.516   6.9206   0.0000   0.0000   62.516   6.9206  ?   ?   151.385   8.4601      ?      ? 
1 1 1   19   21   27 o   32.583   14.820  -3.2171   5.7146   0.0000   0.0000  -3.2171   5.7146  ?   ?    32.583   14.820      ?      ? 
1 1 1   19   21   28 o  117.679   9.6227   37.929   6.1190   0.0000   0.0000   37.929   6.1190  ?   ?   117.679   9.6227      ?      ? 
1 1 1   19   21   29 o   27.379   13.010  -6.2638   5.2311   0.0000   0.0000  -6.2638   5.2311  ?   ?    27.379   13.010      ?      ? 
1 1 1   19   21   30 o  184.614   6.9504   92.877   6.9337   0.0000   0.0000   92.877   6.9337  ?   ?   184.614   6.9504      ?      ? 
1 1 1   19   21   31 o   66.410   15.502   12.913   5.4618   0.0000   0.0000   12.913   5.4618  ?   ?    66.410   15.502      ?      ? 
1 1 1   19   21   32 o  117.636   9.0061   37.990   5.7248   0.0000   0.0000   37.990   5.7248  ?   ?   117.636   9.0061      ?      ? 
1 1 1   19   21   33 o  103.260   9.6829   29.398   5.4029   0.0000   0.0000   29.398   5.4029  ?   ?   103.260   9.6829      ?      ? 
1 1 1   19   21   34 o  142.867   8.7430   54.737   6.0077   62.230   11.813   52.124   6.9774  148.192   14.752  137.543   9.3879 10.64844 17.48595 
1 1 1   19   21   35 o   69.827   11.655   18.745   4.7862  -2.0369   10.577   24.096   5.3671   46.472   20.731   93.182   10.659 -46.71027 23.31063 
1 1 1   19   21   36 o  125.375   10.760   46.691   6.7899   39.550   11.359   50.661   8.4694  116.161   18.097  134.589   11.645 -18.42843 21.52013 
1 1 1   19   21   37 o   80.292   13.089   20.882   5.9472   10.233   9.1343   28.718   7.8355   60.349   21.818  100.235   14.466 -39.88590 26.17791 
1 1 1   19   21   38 o   90.924   12.764   25.354   5.9871   22.561   9.4863   27.203   7.7184   84.568   20.883   97.280   14.683 -12.71208 25.52845 
1 1 1   19   21   39 o  150.755   8.5791   66.703   6.6734   50.405   10.141   79.150   8.8626  132.702   14.142  168.808   9.7159 -36.10574 17.15826 
1 1 1   19   21   40 o  107.555   11.070   34.871   6.0313   29.827   9.3873   38.417   7.8708   98.768   18.261  116.342   12.520 -17.57445 22.14092 
1 1 1   19   21   41 o  240.782   8.4297  160.552   10.968   0.0000   0.0000  160.552   10.968  ?   ?   240.782   8.4297      ?      ? 
1 1 1   19   21   42 o   77.548   13.680   19.040   5.6457   19.830   8.8386   18.495   7.3376   78.196   20.622   76.900   17.980 1.296486 27.35935 
1 1 1   19   21   43 o  125.280   9.0776   45.583   5.9993   45.285   9.5222   45.780   7.7255  123.963   14.215  126.596   11.293 -2.632927 18.15518 
1 1 1   19   21   44 o   36.182   11.686  -4.1989   5.3707 -11.9088   8.5568   0.8129   6.8990   32.310   15.677   40.053   17.334 -7.743488 23.37178 
1 1 1   19   21   45 o   78.659   13.619   20.448   5.7481   16.769   9.0374   22.947   7.4490   70.982   21.618   86.336   16.569 -15.35391 27.23721 
1 1 1   19   21   46 o  193.680   9.0431  106.289   9.4643   0.0000   0.0000  106.289   9.4643  ?   ?   193.680   9.0431      ?      ? 
1 1 1   19   21   47 o   74.455   13.641   19.645   5.6838   14.569   8.6709   23.470   7.5264   63.825   21.366   85.086   16.965 -21.26097 27.28211 
1 1 1   19   21   48 o  127.277   9.1130   48.843   6.1456   44.753   9.3605   51.941   8.1476  121.153   14.298  133.401   11.303 -12.24775 18.22595 
1 1 1   19   21   49 o   63.730   14.053   15.373   5.7702   9.2952   9.0131   19.594   7.5113   52.716   21.021   74.745   18.656 -22.02974 28.10578 
1 1 1   19   22    0 o  233.037   7.2219  147.571   9.0924  151.782   12.932  143.453   12.787  236.337   10.126  229.738   10.300 6.598953 14.44384 
1 1 1   19   22    2 o  231.310   7.2556  145.451   9.0683  147.035   12.815  143.862   12.835  232.580   10.196  230.039   10.325 2.540558 14.51110 
1 1 1   19   22    3 o   66.870   16.069   11.641   6.9369   11.558   9.7908   11.724   9.8298   66.695   22.702   67.046   22.747 -0.3511734 32.13760 
1 1 1   19   22    4 f  248.191   10.089  167.462   13.531   0.0000   0.0000  167.462   13.531  ?   ?   248.191   10.089      ?      ? 
1 1 1   19   22    5 o   81.653   14.914   19.196   6.6823   15.821   9.4408   22.584   9.4596   74.694   21.943   88.612   20.204 -13.91776 29.82764 
1 1 1   19   22    6 o  102.477   13.345   29.608   7.2032   25.838   10.179   33.388   10.194   94.809   20.469  110.144   17.128 -15.33535 26.68981 
1 1 1   19   22    7 o  207.400   7.7176  117.325   8.6320  110.281   12.313  124.132   12.104  201.207   11.325  213.593   10.487 -12.38580 15.43512 
1 1 1   19   22    9 o  165.421   8.1259   74.446   7.2288   73.423   9.7276   75.707   10.803  164.217   10.962  166.625   11.998 -2.408020 16.25179 
1 1 1   19   22   10 o  135.274   8.5980   49.539   6.0783   51.396   10.035   48.463   7.6390  137.106   13.545  133.442   10.594 3.663300 17.19592 
1 1 1   19   22   11 o   75.763   13.459   16.871   5.5362   13.171   8.5159   19.580   7.2859   68.620   21.002   82.906   16.838 -14.28593 26.91819 
1 1 1   19   22   12 o  329.453   8.2551  294.670   14.696   0.0000   0.0000  294.670   14.696  ?   ?   329.453   8.2551      ?      ? 
1 1 1   19   22   13 o  262.384   6.9861  186.690   9.9051   0.0000   0.0000  186.690   9.9051  ?   ?   262.384   6.9861      ?      ? 
1 1 1   19   22   14 o   95.558   13.571   25.036   7.0077   0.0000   0.0000   25.036   7.0077  ?   ?    95.558   13.571      ?      ? 
1 1 1   19   22   15 o  337.185   6.6279  308.337   12.076   0.0000   0.0000  308.337   12.076  ?   ?   337.185   6.6279      ?      ? 
1 1 1   19   22   16 o  197.820   7.4673  106.264   7.9822   0.0000   0.0000  106.264   7.9822  ?   ?   197.820   7.4673      ?      ? 
1 1 1   19   22   17 o  160.592   9.5453   70.277   8.2833   0.0000   0.0000   70.277   8.2833  ?   ?   160.592   9.5453      ?      ? 
1 1 1   19   22   18 o  195.763   14.048  105.523   14.861   0.0000   0.0000  105.523   14.861  ?   ?   195.763   14.048      ?      ? 
1 1 1   19   22   19 o  192.556   7.4805  100.741   7.7835   0.0000   0.0000  100.741   7.7835  ?   ?   192.556   7.4805      ?      ? 
1 1 1   19   22   20 o   61.523   17.412   10.841   6.0494   0.0000   0.0000   10.841   6.0494  ?   ?    61.523   17.412      ?      ? 
1 1 1   19   22   21 o  217.986   8.2644  129.375   9.7348   0.0000   0.0000  129.375   9.7348  ?   ?   217.986   8.2644      ?      ? 
1 1 1   19   22   22 o  186.409   7.4059   94.523   7.4599   0.0000   0.0000   94.523   7.4599  ?   ?   186.409   7.4059      ?      ? 
1 1 1   19   22   23 o  335.947   8.3814  307.780   15.215   0.0000   0.0000  307.780   15.215  ?   ?   335.947   8.3814      ?      ? 
1 1 1   19   22   24 o  203.882   7.2466  113.128   7.9837   0.0000   0.0000  113.128   7.9837  ?   ?   203.882   7.2466      ?      ? 
1 1 1   19   22   25 o  173.626   9.2882   82.467   8.7143   0.0000   0.0000   82.467   8.7143  ?   ?   173.626   9.2882      ?      ? 
1 1 1   19   22   26 o   30.794   14.375  -5.2904   5.8982   0.0000   0.0000  -5.2904   5.8982  ?   ?    30.794   14.375      ?      ? 
1 1 1   19   22   27 o  127.338   10.517   44.626   7.2368   0.0000   0.0000   44.626   7.2368  ?   ?   127.338   10.517      ?      ? 
1 1 1   19   22   28 o   46.256   17.022   5.0576   5.5960   0.0000   0.0000   5.0576   5.5960  ?   ?    46.256   17.022      ?      ? 
1 1 1   19   22   29 o  199.186   6.8722  108.151   7.3967   0.0000   0.0000  108.151   7.3967  ?   ?   199.186   6.8722      ?      ? 
1 1 1   19   22   30 f  103.463   10.257   29.540   5.7345   0.0000   0.0000   29.540   5.7345  ?   ?   103.463   10.257      ?      ? 
1 1 1   19   22   31 o  135.145   11.997   50.908   8.7612   0.0000   0.0000   50.908   8.7612  ?   ?   135.145   11.997      ?      ? 
1 1 1   19   22   32 o  129.155   8.6462   45.827   6.0343   0.0000   0.0000   45.827   6.0343  ?   ?   129.155   8.6462      ?      ? 
1 1 1   19   22   33 o  165.272   7.3234   74.749   6.5403   0.0000   0.0000   74.749   6.5403  ?   ?   165.272   7.3234      ?      ? 
1 1 1   19   22   34 o   83.355   12.190   19.495   5.4906   0.0000   0.0000   19.495   5.4906  ?   ?    83.355   12.190      ?      ? 
1 1 1   19   22   35 o  181.896   8.2684  100.129   6.5860   79.482   13.441  106.653   7.5551  166.472   14.942  197.321   7.0856 -30.84944 16.53682 
1 1 1   19   22   36 o   54.886   14.024   8.4902   5.0492   3.0721   11.055   9.9185   5.6758   52.286   22.272   57.486   17.048 -5.199814 28.04745 
1 1 1   19   22   37 o  227.211   7.8730  147.095   9.0799  136.802   15.459  152.517   11.219  219.544   13.031  234.878   8.8395 -15.33412 15.74594 
1 1 1   19   22   38 o   43.325   13.475  -0.5201   6.0621   1.2242   9.1846  -1.8665   8.0695   46.412   20.043   40.238   18.017 6.173344 26.95067 
1 1 1   19   22   39 o   97.105   12.650   29.353   6.2926   25.186   9.7948   32.282   8.2114   88.649   20.805  105.562   14.395 -16.91322 25.29934 
1 1 1   19   22   40 f   47.943   13.721   3.8193   5.8110  -1.4965   8.7442   8.0237   7.7765   41.902   18.759   53.985   20.029 -12.08360 27.44226 
1 1 1   19   22   41 o   57.857   14.585   10.277   5.7303   11.246   8.5318   9.4811   7.7344   59.751   21.144   55.964   20.096 3.786823 29.17025 
1 1 1   19   22   42 f   52.851   12.658   1.0254   5.6804   19.444   8.8851 -11.7072   7.3874   76.453   20.906   29.249   14.276 47.20383 25.31511 
1 1 1   19   22   43 o  154.090   10.641   67.107   8.8605   0.0000   0.0000   67.107   8.8605  ?   ?   154.090   10.641      ?      ? 
1 1 1   19   22   44 o   44.749   13.402   2.8452   5.6513   0.7810   8.4367   4.5252   7.6112   42.920   18.860   46.579   19.047 -3.658730 26.80422 
1 1 1   19   22   45 o   73.530   14.319   19.464   5.8504   18.774   9.0364   19.962   7.6764   70.987   21.616   76.072   18.786 -5.084801 28.63815 
1 1 1   19   22   46 o  100.142   12.061   33.038   6.0889   23.879   9.0625   40.574   8.2208   83.304   20.315  116.980   13.005 -33.67685 24.12107 
1 1 1   19   22   47 o   45.828   13.491   4.6029   5.8277  -0.9386   9.1002   8.4553   7.5876   40.543   18.542   51.113   19.601 -10.57026 26.98124 
1 1 1   19   23    0 o  105.792   13.239   31.689   7.3200   37.636   10.368   25.779   10.336  116.993   16.400   94.592   20.789 22.40041 26.47897 
1 1 1   19   23    1 o  250.151   7.0556  170.182   9.5370  170.605   13.546  169.766   13.429  250.454   10.009  249.848   9.9470 0.6064453 14.11125 
1 1 1   19   23    2 o   64.384   14.821   8.4960   6.7196  -0.8159   9.0766   19.789   9.9957   45.983   19.891   82.784   21.977 -36.80082 29.64230 
1 1 1   19   23    3 o  271.969   9.8309  201.161   14.448   0.0000   0.0000  201.161   14.448  ?   ?   271.969   9.8309      ?      ? 
1 1 1   19   23    4 o  298.810   6.9185  241.574   11.139  259.926   16.540  226.346   15.067  309.115   9.9022  288.504   9.6649 20.61151 13.83702 
1 1 1   19   23    6 o  210.859   10.884  121.176   12.401   0.0000   0.0000  121.176   12.401  ?   ?   210.859   10.884      ?      ? 
1 1 1   19   23    9 o  274.132   6.6597  207.595   9.2506  195.473   15.924  213.770   11.365  267.633   11.011  280.630   7.4945 -12.99677 13.31942 
1 1 1   19   23   10 o  195.088   7.0931  100.404   7.0969  114.189   12.462   93.788   8.6335  204.457   11.280  185.719   8.6028 18.73759 14.18617 
1 1 1   19   23   11 o  151.635   9.5147   62.631   7.7962   0.0000   0.0000   62.631   7.7962  ?   ?   151.635   9.5147      ?      ? 
1 1 1   19   23   12 o   85.425   16.081   20.807   7.1508   0.0000   0.0000   20.807   7.1508  ?   ?    85.425   16.081      ?      ? 
1 1 1   19   23   13 o   84.300   15.732   20.246   6.9028   0.0000   0.0000   20.246   6.9028  ?   ?    84.300   15.732      ?      ? 
1 1 1   19   23   14 o  231.482   8.3755  145.765   10.476   0.0000   0.0000  145.765   10.476  ?   ?   231.482   8.3755      ?      ? 
1 1 1   19   23   15 o  251.762   8.3849  172.464   11.407   0.0000   0.0000  172.464   11.407  ?   ?   251.762   8.3849      ?      ? 
1 1 1   19   23   16 o  277.355   12.180  211.054   18.255   0.0000   0.0000  211.054   18.255  ?   ?   277.355   12.180      ?      ? 
1 1 1   19   23   17 o  157.746   8.6008   67.779   7.3314   0.0000   0.0000   67.779   7.3314  ?   ?   157.746   8.6008      ?      ? 
1 1 1   19   23   18 o  141.822   9.1245   54.879   6.9926   0.0000   0.0000   54.879   6.9926  ?   ?   141.822   9.1245      ?      ? 
1 1 1   19   23   19 o  229.442   8.5415  143.562   10.590   0.0000   0.0000  143.562   10.590  ?   ?   229.442   8.5415      ?      ? 
1 1 1   19   23   20 o  213.371   13.201  125.895   15.220   0.0000   0.0000  125.895   15.220  ?   ?   213.371   13.201      ?      ? 
1 1 1   19   23   21 o  209.523   7.1410  119.453   8.0849   0.0000   0.0000  119.453   8.0849  ?   ?   209.523   7.1410      ?      ? 
1 1 1   19   23   22 o  352.874   8.1908  339.702   15.618   0.0000   0.0000  339.702   15.618  ?   ?   352.874   8.1908      ?      ? 
1 1 1   19   23   23 o  298.478   7.4931  242.766   12.085   0.0000   0.0000  242.766   12.085  ?   ?   298.478   7.4931      ?      ? 
1 1 1   19   23   24 o   97.897   12.276   26.537   6.4941   0.0000   0.0000   26.537   6.4941  ?   ?    97.897   12.276      ?      ? 
1 1 1   19   23   25 o  119.112   11.938   39.312   7.6836   0.0000   0.0000   39.312   7.6836  ?   ?   119.112   11.938      ?      ? 
1 1 1   19   23   27 o  115.391   10.128   36.694   6.3149   0.0000   0.0000   36.694   6.3149  ?   ?   115.391   10.128      ?      ? 
1 1 1   19   23   28 o  137.951   9.1539   52.332   6.8237   0.0000   0.0000   52.332   6.8237  ?   ?   137.951   9.1539      ?      ? 
1 1 1   19   23   29 o  175.780   10.418   85.498   9.8958   0.0000   0.0000   85.498   9.8958  ?   ?   175.780   10.418      ?      ? 
1 1 1   19   23   30 o  132.098   9.3963   48.095   6.7072   0.0000   0.0000   48.095   6.7072  ?   ?   132.098   9.3963      ?      ? 
1 1 1   19   23   31 o  172.415   7.5144   81.427   7.0009   0.0000   0.0000   81.427   7.0009  ?   ?   172.415   7.5144      ?      ? 
1 1 1   19   23   32 o  129.898   9.0360   46.565   6.3426   0.0000   0.0000   46.565   6.3426  ?   ?   129.898   9.0360      ?      ? 
1 1 1   19   23   33 o  237.908   8.7088  156.148   11.196   0.0000   0.0000  156.148   11.196  ?   ?   237.908   8.7088      ?      ? 
1 1 1   19   23   34 o  161.535   7.8054   71.772   6.8132   0.0000   0.0000   71.772   6.8132  ?   ?   161.535   7.8054      ?      ? 
1 1 1   19   23   35 o  182.378   7.4815   90.266   6.3167   98.018   13.021   87.881   7.2237  185.884   12.963  178.872   7.4736 7.011749 14.96300 
1 1 1   19   23   36 o  178.749   7.8199   87.142   6.3813   94.369   13.399   85.022   7.2572  181.695   13.647  175.803   7.6393 5.892120 15.63983 
1 1 1   19   23   37 o   70.649   11.671   19.407   5.1742  -2.6194   10.672   26.176   5.9160   45.007   20.386   96.292   11.370 -51.28490 23.34192 
1 1 1   19   23   38 o   58.471   15.218   7.3316   6.6339   17.574   10.659   0.8552   8.4756   72.859   23.660   44.083   19.145 28.77570 30.43530 
1 1 1   19   23   39 o   62.330   14.282   12.105   6.1409   3.8678   9.1417   18.879   8.2898   48.620   20.459   76.039   19.932 -27.41910 28.56351 
1 1 1   19   23   40 o  106.366   12.159   35.515   6.6273   29.810   9.9301   40.097   8.8994   95.924   19.813  116.808   14.099 -20.88362 24.31783 
1 1 1   19   23   41 f   46.411   19.552   3.1370   8.3640   0.0000   0.0000   3.1370   8.3640  ?   ?    46.411   19.552      ?      ? 
1 1 1   19   23   42 o   41.714   13.302  -1.6757   6.2976  -0.1061   9.4889  -2.9113   8.4192   44.313   19.711   39.116   17.868 5.197258 26.60412 
1 1 1   19   23   43 o   46.322   13.527   3.7939   5.9986  -3.6133   8.9449   9.8475   8.0864   38.214   17.794   54.430   20.379 -16.21519 27.05393 
1 1 1   19   23   44 o   45.333   13.395   1.3638   5.9091   10.300   8.8808  -5.7355   7.9157   56.208   21.289   34.458   16.264 21.74976 26.79019 
1 1 1   19   23   45 o   59.763   14.905   12.764   6.1358   9.6577   9.3031   15.155   8.1629   54.575   21.484   64.950   20.666 -10.37563 29.81021 
1 1 1   19   24    0 o  122.256   11.509   41.451   7.5805   43.738   10.534   38.995   10.917  125.897   15.485  118.615   17.032 7.281670 23.01896 
1 1 1   19   24    1 o   82.955   15.154   20.176   7.0775   26.905   9.8866   13.104   10.136   96.525   19.623   69.385   23.099 27.14023 30.30875 
1 1 1   19   24    3 o   98.718   13.887   28.137   7.2337   35.739   10.240   20.564   10.220  113.571   16.685   83.865   22.203 29.70610 27.77378 
1 1 1   19   24    5 o  188.120   7.9903   96.509   8.1094   89.446   11.175  104.365   11.786  180.842   11.436  195.398   11.162 -14.55609 15.98056 
1 1 1   19   24    6 o  100.961   12.904   29.411   6.7719   33.628   9.2130   24.456   9.9878  110.318   15.455   91.603   20.669 18.71413 25.80815 
1 1 1   19   24    7 o  124.946   10.492   42.979   7.0735   39.918   9.7715   46.349   10.253  120.247   15.038  129.645   14.635 -9.398399 20.98412 
1 1 1   19   24    8 o   94.780   11.917   26.051   5.7573   22.282   9.0503   28.614   7.4619   87.560   19.615  102.001   13.538 -14.44018 23.83318 
1 1 1   19   24    9 o  160.716   8.1442   69.614   6.8156   74.775   11.435   66.771   8.4880  165.012   12.824  156.420   10.042 8.592651 16.28838 
1 1 1   19   24   10 o  165.030   9.3597   74.241   8.3467   0.0000   0.0000   74.241   8.3467  ?   ?   165.030   9.3597      ?      ? 
1 1 1   19   24   11 o   50.184   18.958   5.3210   7.0311   0.0000   0.0000   5.3210   7.0311  ?   ?    50.184   18.958      ?      ? 
1 1 1   19   24   12 o  151.080   8.9065   62.203   7.2711   0.0000   0.0000   62.203   7.2711  ?   ?   151.080   8.9065      ?      ? 
1 1 1   19   24   13 o  149.395   9.5743   60.935   7.7291   0.0000   0.0000   60.935   7.7291  ?   ?   149.395   9.5743      ?      ? 
1 1 1   19   24   14 o  152.301   9.5724   63.374   7.8779   0.0000   0.0000   63.374   7.8779  ?   ?   152.301   9.5724      ?      ? 
1 1 1   19   24   15 o   73.965   17.388   15.939   6.8327   0.0000   0.0000   15.939   6.8327  ?   ?    73.965   17.388      ?      ? 
1 1 1   19   24   16 o  210.290   8.8798  120.748   10.090   0.0000   0.0000  120.748   10.090  ?   ?   210.290   8.8798      ?      ? 
1 1 1   19   24   17 o  130.931   10.208   46.986   7.2219   0.0000   0.0000   46.986   7.2219  ?   ?   130.931   10.208      ?      ? 
1 1 1   19   24   18 o  171.773   8.2773   80.502   7.6830   0.0000   0.0000   80.502   7.6830  ?   ?   171.773   8.2773      ?      ? 
1 1 1   19   24   19 o  113.472   11.195   35.435   6.8642   0.0000   0.0000   35.435   6.8642  ?   ?   113.472   11.195      ?      ? 
1 1 1   19   24   20 o  119.277   10.489   39.101   6.7602   0.0000   0.0000   39.101   6.7602  ?   ?   119.277   10.489      ?      ? 
1 1 1   19   24   21 o  198.793   7.4932  107.785   8.0492   0.0000   0.0000  107.785   8.0492  ?   ?   198.793   7.4932      ?      ? 
1 1 1   19   24   22 o  107.495   11.448   31.960   6.6498   0.0000   0.0000   31.960   6.6498  ?   ?   107.495   11.448      ?      ? 
1 1 1   19   24   23 o  104.582   11.608   30.293   6.5599   0.0000   0.0000   30.293   6.5599  ?   ?   104.582   11.608      ?      ? 
1 1 1   19   24   24 o   60.769   17.929   10.829   6.2908   0.0000   0.0000   10.829   6.2908  ?   ?    60.769   17.929      ?      ? 
1 1 1   19   24   25 o  123.644   10.194   42.204   6.8107   0.0000   0.0000   42.204   6.8107  ?   ?   123.644   10.194      ?      ? 
1 1 1   19   24   26 o   94.283   15.665   25.320   7.9810   0.0000   0.0000   25.320   7.9810  ?   ?    94.283   15.665      ?      ? 
1 1 1   19   24   27 o   63.323   18.482   11.961   6.7168   0.0000   0.0000   11.961   6.7168  ?   ?    63.323   18.482      ?      ? 
1 1 1   19   24   28 o  207.849   13.534  121.778   15.201   0.0000   0.0000  121.778   15.201  ?   ?   207.849   13.534      ?      ? 
1 1 1   19   24   29 f   49.703   20.435   3.7915   8.8205   0.0000   0.0000   3.7915   8.8205  ?   ?    49.703   20.435      ?      ? 
1 1 1   19   24   30 o  116.318   10.012   37.538   6.2927   0.0000   0.0000   37.538   6.2927  ?   ?   116.318   10.012      ?      ? 
1 1 1   19   24   31 o   86.823   13.366   21.402   6.2706   0.0000   0.0000   21.402   6.2706  ?   ?    86.823   13.366      ?      ? 
1 1 1   19   24   32 o  316.830   8.4708  277.023   14.502   0.0000   0.0000  277.023   14.502  ?   ?   316.830   8.4708      ?      ? 
1 1 1   19   24   33 o  160.285   8.1470   70.783   7.0563   0.0000   0.0000   70.783   7.0563  ?   ?   160.285   8.1470      ?      ? 
1 1 1   19   24   34 o  175.484   7.6776   84.763   7.2803   0.0000   0.0000   84.763   7.2803  ?   ?   175.484   7.6776      ?      ? 
1 1 1   19   24   35 o   77.473   14.545   17.861   5.8653   0.0000   0.0000   17.861   5.8653  ?   ?    77.473   14.545      ?      ? 
1 1 1   19   24   36 o   54.456   13.909   8.6583   5.1767   3.0428   10.523   10.451   5.9459   50.562   21.638   58.350   17.482 -7.787796 27.81770 
1 1 1   19   24   37 o   91.717   13.952   29.400   5.6467   22.104   12.443   31.292   6.3368   78.555   25.566  104.879   11.181 -26.32461 27.90379 
1 1 1   19   24   38 o   54.902   14.696   3.1117   5.3045   20.113   11.847  -1.1513   5.9324   75.087   24.971   34.717   15.504 40.36909 29.39208 
1 1 1   19   24   39 o  117.412   13.708   43.339   7.8650   43.086   13.717   43.463   9.6000  113.225   23.199  121.599   14.610 -8.373650 27.41605 
1 1 1   19   24   40 o  142.543   10.116   60.876   7.5914   50.967   11.366   68.857   10.200  130.285   16.144  154.801   12.194 -24.51555 20.23183 
1 1 1   19   24   41 o   47.295   14.235   4.4940   6.3616   3.8717   9.5826   4.9845   8.5066   47.284   20.446   47.306   19.812 -0.2246475E-01 28.47002 
1 1 1   19   24   42 o   48.049   13.977   4.9740   6.1656  -0.6737   9.2003   9.5781   8.3070   41.694   18.903   54.405   20.593 -12.71098 27.95348 
1 1 1   19   24   43 o   78.473   14.483   21.249   6.2322   26.099   9.3591   17.385   8.3535   86.829   20.309   70.117   20.653 16.71215 28.96539 
1 1 1   19   24   44 o   92.457   13.033   32.448   6.4474   15.366   9.8220   45.381   8.5465   62.667   22.629  122.247   12.938 -59.58002 26.06623 
1 1 1   19   25    0 o   54.553   15.151   4.9228   6.7082   8.4896   9.1403   0.7589   9.8758   59.623   21.783   49.483   21.064 10.13991 30.30161 
1 1 1   19   25    1 o   59.572   13.793   4.8005   6.6283   19.496   9.3905  -9.7913   9.3573   81.545   21.137   37.599   17.727 43.94527 27.58619 
1 1 1   19   25    2 o  134.680   10.106   50.087   7.3433   53.606   10.448   46.651   10.323  139.440   13.866  129.919   14.704 9.521683 20.21133 
1 1 1   19   25    3 o  186.077   8.1089   94.863   8.1509   98.181   11.598   91.624   11.458  189.321   11.336  182.832   11.598 6.488892 16.21784 
1 1 1   19   25    4 o   45.032   13.853  -2.1765   6.4668  -6.7480   8.9197   2.8888   9.3891   38.925   18.001   51.140   21.061 -12.21465 27.70585 
1 1 1   19   25    5 o   86.718   14.611   22.297   6.7789   25.388   9.2953   18.785   9.9074   93.509   19.043   79.926   22.165 13.58323 29.22207 
1 1 1   19   25    6 o  159.689   8.7569   70.572   7.5033   77.912   10.436   62.719   10.795  168.540   11.459  150.839   13.244 17.70067 17.51379 
1 1 1   19   25    7 o  140.434   9.3882   54.854   7.0582   59.041   9.6115   49.953   10.399  146.536   12.138  134.331   14.325 12.20502 18.77644 
1 1 1   19   25    8 o  163.243   7.8263   68.644   6.6745   92.432   11.343   56.045   8.2550  183.472   11.441  143.013   10.682 40.45949 15.65259 
1 1 1   19   25    9 o  445.775   8.1387  540.292   18.453  563.288   32.334  529.185   22.472  451.515   13.253  440.035   9.4509 11.47992 16.27732 
1 1 1   19   25   10 o   98.697   13.476   26.953   7.1873   0.0000   0.0000   26.953   7.1873  ?   ?    98.697   13.476      ?      ? 
1 1 1   19   25   11 o  121.794   11.187   40.760   7.3626   0.0000   0.0000   40.760   7.3626  ?   ?   121.794   11.187      ?      ? 
1 1 1   19   25   12 o   35.011   15.959  -3.8511   6.6714   0.0000   0.0000  -3.8511   6.6714  ?   ?    35.011   15.959      ?      ? 
1 1 1   19   25   13 o  219.845   14.495  134.478   17.220   0.0000   0.0000  134.478   17.220  ?   ?   219.845   14.495      ?      ? 
1 1 1   19   25   14 o   60.081   18.903   10.241   6.8453   0.0000   0.0000   10.241   6.8453  ?   ?    60.081   18.903      ?      ? 
1 1 1   19   25   15 o   43.540   17.769   2.3888   6.6081   0.0000   0.0000   2.3888   6.6081  ?   ?    43.540   17.769      ?      ? 
1 1 1   19   25   16 o  180.753   7.9579   89.157   7.7727   0.0000   0.0000   89.157   7.7727  ?   ?   180.753   7.9579      ?      ? 
1 1 1   19   25   17 o   42.683   17.498   2.2010   6.4436   0.0000   0.0000   2.2010   6.4436  ?   ?    42.683   17.498      ?      ? 
1 1 1   19   25   18 o   39.931   16.994   0.5747   6.4256   0.0000   0.0000   0.5747   6.4256  ?   ?    39.931   16.994      ?      ? 
1 1 1   19   25   19 o  105.058   11.593   30.563   6.5811   0.0000   0.0000   30.563   6.5811  ?   ?   105.058   11.593      ?      ? 
1 1 1   19   25   20 o   86.097   13.908   20.762   6.4708   0.0000   0.0000   20.762   6.4708  ?   ?    86.097   13.908      ?      ? 
1 1 1   19   25   21 o  149.821   8.9277   61.607   7.2277   0.0000   0.0000   61.607   7.2277  ?   ?   149.821   8.9277      ?      ? 
1 1 1   19   25   22 o  143.394   9.2477   56.569   7.1656   0.0000   0.0000   56.569   7.1656  ?   ?   143.394   9.2477      ?      ? 
1 1 1   19   25   23 o  134.036   9.7800   49.570   7.0835   0.0000   0.0000   49.570   7.0835  ?   ?   134.036   9.7800      ?      ? 
1 1 1   19   25   24 o  114.838   10.747   36.557   6.6691   0.0000   0.0000   36.557   6.6691  ?   ?   114.838   10.747      ?      ? 
1 1 1   19   25   25 o  124.276   10.007   42.711   6.7199   0.0000   0.0000   42.711   6.7199  ?   ?   124.276   10.007      ?      ? 
1 1 1   19   25   26 o  140.072   10.713   54.537   8.1086   0.0000   0.0000   54.537   8.1086  ?   ?   140.072   10.713      ?      ? 
1 1 1   19   25   27 o   50.047   19.289   5.6828   7.3732   0.0000   0.0000   5.6828   7.3732  ?   ?    50.047   19.289      ?      ? 
1 1 1   19   25   28 o  100.593   11.999   28.437   6.5223   0.0000   0.0000   28.437   6.5223  ?   ?   100.593   11.999      ?      ? 
1 1 1   19   25   29 f  110.765   11.063   34.344   6.6216   0.0000   0.0000   34.344   6.6216  ?   ?   110.765   11.063      ?      ? 
1 1 1   19   25   30 o  173.006   8.2956   82.531   7.7552   0.0000   0.0000   82.531   7.7552  ?   ?   173.006   8.2956      ?      ? 
1 1 1   19   25   31 o   41.659   17.048   2.5802   6.1030   0.0000   0.0000   2.5802   6.1030  ?   ?    41.659   17.048      ?      ? 
1 1 1   19   25   32 o   61.900   17.764   11.789   6.2523   0.0000   0.0000   11.789   6.2523  ?   ?    61.900   17.764      ?      ? 
1 1 1   19   25   33 o   41.679   17.023   2.8040   6.0710   0.0000   0.0000   2.8040   6.0710  ?   ?    41.679   17.023      ?      ? 
1 1 1   19   25   34 o   42.323   16.931   3.4568   5.8663   0.0000   0.0000   3.4568   5.8663  ?   ?    42.323   16.931      ?      ? 
1 1 1   19   25   35 o   44.392   16.978   4.8757   5.6829   0.0000   0.0000   4.8757   5.6829  ?   ?    44.392   16.978      ?      ? 
1 1 1   19   25   36 o   37.975   16.360   0.8154   6.0897   0.0000   0.0000   0.8154   6.0897  ?   ?    37.975   16.360      ?      ? 
1 1 1   19   25   37 o  137.301   9.9967   50.805   6.4524   64.482   13.381   46.662   7.3653  146.117   16.947  128.484   10.608 17.63335 19.99346 
1 1 1   19   25   38 o   32.955   11.327  -9.8609   5.7892 -28.4910   12.951  -5.2085   6.4718   34.177   17.070   31.732   14.892 2.445498 22.65333 
1 1 1   19   25   39 o   61.937   15.595   12.585   5.7433   16.169   12.734   11.670   6.4350   64.958   25.262   58.916   18.294 6.041935 31.18996 
1 1 1   19   25   40 o   56.266   14.993   9.4933   7.1870  -2.1545   11.312   17.377   9.3068   43.858   20.279   68.673   22.089 -24.81491 29.98619 
1 1 1   19   25   41 o   42.162   13.385  -0.0328   6.3521   0.9354   8.9250  -1.0267   9.0427   43.092   19.144   41.232   18.711 1.860130 26.76967 
1 1 1   19   25   42 o   79.803   12.498   22.621   6.6077   3.5135   9.4480   40.915   9.2447   45.574   19.994  114.032   15.003 -68.45741 24.99680 
1 1 1   19   26    0 o  150.816   9.6702   63.425   7.8267   68.909   10.808   57.376   11.349  157.985   12.660  143.648   14.621 14.33752 19.34041 
1 1 1   19   26    1 o  109.987   12.307   34.045   7.3123   34.283   10.243   33.798   10.442  110.439   17.164  109.536   17.642 0.9029922 24.61383 
1 1 1   19   26    2 o  143.165   9.8880   57.027   7.5896   48.538   10.639   65.823   10.830  132.027   14.913  154.303   12.989 -22.27600 19.77604 
1 1 1   19   26    3 o   78.638   15.135   18.378   6.7688   23.375   9.4885   13.200   9.6588   88.919   20.206   68.358   22.538 20.56081 30.26984 
1 1 1   19   26    4 o  151.878   13.516   63.915   11.093   0.0000   0.0000   63.915   11.093  ?   ?   151.878   13.516      ?      ? 
1 1 1   19   26    5 o  144.720   13.673   58.082   10.693   58.082   10.693   0.0000   0.0000  144.720   13.673  ?   ?       ?      ? 
1 1 1   19   26    6 o  164.446   8.6391   74.754   7.6577   76.851   10.562   72.430   11.118  167.023   11.703  161.869   12.711 5.154541 17.27822 
1 1 1   19   26    7 o  169.865   8.8782   79.229   8.0074  101.194   11.851   60.778   10.862  191.716   11.440  148.014   13.580 43.70157 17.75647 
1 1 1   19   26    8 o   97.093   12.171   24.100   5.9690   44.324   10.222   13.638   7.3526  126.000   15.014   68.187   19.161 57.81304 24.34243 
1 1 1   19   26    9 o   75.186   18.898   16.697   7.6692   0.0000   0.0000   16.697   7.6692  ?   ?    75.186   18.898      ?      ? 
1 1 1   19   26   10 o  238.763   9.2871  156.102   11.982   0.0000   0.0000  156.102   11.982  ?   ?   238.763   9.2871      ?      ? 
1 1 1   19   26   11 o  140.249   10.499   54.098   7.9565   0.0000   0.0000   54.098   7.9565  ?   ?   140.249   10.499      ?      ? 
1 1 1   19   26   12 f  239.627   8.7513  157.169   11.332   0.0000   0.0000  157.169   11.332  ?   ?   239.627   8.7513      ?      ? 
1 1 1   19   26   13 o  152.617   9.1762   63.876   7.5675   0.0000   0.0000   63.876   7.5675  ?   ?   152.617   9.1762      ?      ? 
1 1 1   19   26   14 f  182.574   8.1334   91.156   8.0241   0.0000   0.0000   91.156   8.0241  ?   ?   182.574   8.1334      ?      ? 
1 1 1   19   26   15 o  159.987   12.147   71.061   10.501   0.0000   0.0000   71.061   10.501  ?   ?   159.987   12.147      ?      ? 
1 1 1   19   26   16 o   98.590   13.341   27.157   7.1076   0.0000   0.0000   27.157   7.1076  ?   ?    98.590   13.341      ?      ? 
1 1 1   19   26   17 o  119.531   10.714   39.491   6.9201   0.0000   0.0000   39.491   6.9201  ?   ?   119.531   10.714      ?      ? 
1 1 1   19   26   18 o  234.319   7.1131  149.942   9.0065   0.0000   0.0000  149.942   9.0065  ?   ?   234.319   7.1131      ?      ? 
1 1 1   19   26   19 o   32.362   15.050  -5.0575   6.3663   0.0000   0.0000  -5.0575   6.3663  ?   ?    32.362   15.050      ?      ? 
1 1 1   19   26   20 o  121.764   10.333   41.015   6.7991   0.0000   0.0000   41.015   6.7991  ?   ?   121.764   10.333      ?      ? 
1 1 1   19   26   21 o  108.535   11.631   32.814   6.8212   0.0000   0.0000   32.814   6.8212  ?   ?   108.535   11.631      ?      ? 
1 1 1   19   26   22 o  226.695   8.5072  141.277   10.421   0.0000   0.0000  141.277   10.421  ?   ?   226.695   8.5072      ?      ? 
1 1 1   19   26   23 o   54.371   18.419   8.3536   6.4444   0.0000   0.0000   8.3536   6.4444  ?   ?    54.371   18.419      ?      ? 
1 1 1   19   26   24 o  174.376   9.5624   84.158   9.0104   0.0000   0.0000   84.158   9.0104  ?   ?   174.376   9.5624      ?      ? 
1 1 1   19   26   25 o  153.476   8.8101   65.022   7.3065   0.0000   0.0000   65.022   7.3065  ?   ?   153.476   8.8101      ?      ? 
1 1 1   19   26   26 o   32.637   15.096  -4.2596   6.2771   0.0000   0.0000  -4.2596   6.2771  ?   ?    32.637   15.096      ?      ? 
1 1 1   19   26   27 o   67.133   19.547   13.963   7.5215   0.0000   0.0000   13.963   7.5215  ?   ?    67.133   19.547      ?      ? 
1 1 1   19   26   28 o   31.915   15.217  -8.2814   7.2799   0.0000   0.0000  -8.2814   7.2799  ?   ?    31.915   15.217      ?      ? 
1 1 1   19   26   29 o   92.897   12.961   24.580   6.5064   0.0000   0.0000   24.580   6.5064  ?   ?    92.897   12.961      ?      ? 
1 1 1   19   26   30 o   35.302   15.857  -1.8491   6.3031   0.0000   0.0000  -1.8491   6.3031  ?   ?    35.302   15.857      ?      ? 
1 1 1   19   26   31 o   49.741   17.880   6.8074   6.1240   0.0000   0.0000   6.8074   6.1240  ?   ?    49.741   17.880      ?      ? 
1 1 1   19   26   32 o  113.775   11.060   36.685   6.7998   0.0000   0.0000   36.685   6.7998  ?   ?   113.775   11.060      ?      ? 
1 1 1   19   26   33 o  150.887   8.6156   63.565   7.0246   0.0000   0.0000   63.565   7.0246  ?   ?   150.887   8.6156      ?      ? 
1 1 1   19   26   34 o   50.583   18.174   7.3463   6.3262   0.0000   0.0000   7.3463   6.3262  ?   ?    50.583   18.174      ?      ? 
1 1 1   19   26   35 o  114.382   16.732   39.374   10.342   0.0000   0.0000   39.374   10.342  ?   ?   114.382   16.732      ?      ? 
1 1 1   19   26   36 o  164.761   11.530   77.775   10.265   0.0000   0.0000   77.775   10.265  ?   ?   164.761   11.530      ?      ? 
1 1 1   19   26   37 o   33.501   15.387  -2.3759   6.3595   0.0000   0.0000  -2.3759   6.3595  ?   ?    33.501   15.387      ?      ? 
1 1 1   19   26   38 o   93.931   13.196   27.623   5.7535   32.635   11.564   25.974   6.6326   94.580   22.877   93.281   13.158 1.298935 26.39108 
1 1 1   19   26   39 o  155.552   9.1806   69.831   6.5002   76.126   13.576   67.959   7.4041  156.116   16.093  154.989   8.8407 1.127090 18.36114 
1 1 1   19   26   40 o   84.725   13.630   28.843   5.7964   17.671   11.797   32.399   6.6550   65.149   24.570  104.300   11.808 -39.15107 27.26015 
1 1 1   19   27    0 o  281.596   21.010  229.955   31.970  229.955   31.970   0.0000   0.0000  281.596   21.010  ?   ?       ?      ? 
1 1 1   19   27    1 o   77.680   15.717   17.653   7.1893   11.266   9.8498   24.934   10.517   64.476   22.729   90.883   21.713 -26.40734 31.43310 
1 1 1   19   27    2 o   85.434   15.008   21.657   7.0586   14.874   9.6175   29.577   10.392   71.057   22.413   99.811   19.966 -28.75413 30.01600 
1 1 1   19   27    5 o   91.215   13.883   25.354   6.8163   33.238   9.3435   16.385   9.9662  108.477   15.940   73.953   22.734 34.52414 27.76540 
1 1 1   19   27    6 o   58.975   13.150   9.3781   5.8343  -6.0698   10.168   16.960   7.1237   42.256   19.426   75.693   17.728 -33.43687 26.29902 
1 1 1   19   27    7 o  176.294   8.1011   82.592   7.3606   97.387   12.857   75.379   8.9773  187.087   12.718  165.501   10.038 21.58632 16.20213 
1 1 1   19   27    8 o  159.259   8.1106   67.212   6.7622   82.477   11.413   58.953   8.3944  172.329   12.256  146.189   10.626 26.14050 16.22116 
1 1 1   19   27    9 o  179.567   8.5018   88.302   8.2494   0.0000   0.0000   88.302   8.2494  ?   ?   179.567   8.5018      ?      ? 
1 1 1   19   27   10 o  113.314   12.166   35.675   7.4492   0.0000   0.0000   35.675   7.4492  ?   ?   113.314   12.166      ?      ? 
1 1 1   19   27   11 o   85.318   16.393   21.301   7.2829   0.0000   0.0000   21.301   7.2829  ?   ?    85.318   16.393      ?      ? 
1 1 1   19   27   12 o  105.436   12.396   30.983   7.0626   0.0000   0.0000   30.983   7.0626  ?   ?   105.436   12.396      ?      ? 
1 1 1   19   27   13 o  127.837   10.806   45.258   7.4644   0.0000   0.0000   45.258   7.4644  ?   ?   127.837   10.806      ?      ? 
1 1 1   19   27   14 o   56.813   18.641   9.2186   6.6101   0.0000   0.0000   9.2186   6.6101  ?   ?    56.813   18.641      ?      ? 
1 1 1   19   27   15 o  101.029   12.950   28.608   7.0698   0.0000   0.0000   28.608   7.0698  ?   ?   101.029   12.950      ?      ? 
1 1 1   19   27   16 o   78.009   17.397   18.161   7.1468   0.0000   0.0000   18.161   7.1468  ?   ?    78.009   17.397      ?      ? 
1 1 1   19   27   17 o  198.565   7.8707  108.056   8.4450   0.0000   0.0000  108.056   8.4450  ?   ?   198.565   7.8707      ?      ? 
1 1 1   19   27   18 o   59.940   18.830   10.611   6.7954   0.0000   0.0000   10.611   6.7954  ?   ?    59.940   18.830      ?      ? 
1 1 1   19   27   19 o   64.695   17.802   12.622   6.4188   0.0000   0.0000   12.622   6.4188  ?   ?    64.695   17.802      ?      ? 
1 1 1   19   27   20 o  143.863   9.4638   57.242   7.3570   0.0000   0.0000   57.242   7.3570  ?   ?   143.863   9.4638      ?      ? 
1 1 1   19   27   21 o  137.812   9.7243   52.647   7.2416   0.0000   0.0000   52.647   7.2416  ?   ?   137.812   9.7243      ?      ? 
1 1 1   19   27   22 o   64.510   18.203   12.700   6.6218   0.0000   0.0000   12.700   6.6218  ?   ?    64.510   18.203      ?      ? 
1 1 1   19   27   23 o  160.559   8.5420   71.164   7.4111   0.0000   0.0000   71.164   7.4111  ?   ?   160.559   8.5420      ?      ? 
1 1 1   19   27   24 o   66.328   17.905   13.472   6.5671   0.0000   0.0000   13.472   6.5671  ?   ?    66.328   17.905      ?      ? 
1 1 1   19   27   25 o   63.936   18.310   12.525   6.6489   0.0000   0.0000   12.525   6.6489  ?   ?    63.936   18.310      ?      ? 
1 1 1   19   27   26 o   71.145   17.116   15.498   6.5001   0.0000   0.0000   15.498   6.5001  ?   ?    71.145   17.116      ?      ? 
1 1 1   19   27   27 o  156.459   9.0793   68.037   7.6761   0.0000   0.0000   68.037   7.6761  ?   ?   156.459   9.0793      ?      ? 
1 1 1   19   27   28 o   88.967   17.595   24.314   8.1590   0.0000   0.0000   24.314   8.1590  ?   ?    88.967   17.595      ?      ? 
1 1 1   19   27   29 o  156.726   9.5562   68.698   8.0931   0.0000   0.0000   68.698   8.0931  ?   ?   156.726   9.5562      ?      ? 
1 1 1   19   27   30 o  134.669   10.134   51.229   7.3744   0.0000   0.0000   51.229   7.3744  ?   ?   134.669   10.134      ?      ? 
1 1 1   19   27   31 o   86.010   15.729   22.619   7.0410   0.0000   0.0000   22.619   7.0410  ?   ?    86.010   15.729      ?      ? 
1 1 1   19   27   32 o   70.364   17.893   15.668   6.8190   0.0000   0.0000   15.668   6.8190  ?   ?    70.364   17.893      ?      ? 
1 1 1   19   27   33 o   42.660   17.543   3.0655   6.5027   0.0000   0.0000   3.0655   6.5027  ?   ?    42.660   17.543      ?      ? 
1 1 1   19   27   34 o   34.525   15.825  -2.6987   6.6804   0.0000   0.0000  -2.6987   6.6804  ?   ?    34.525   15.825      ?      ? 
1 1 1   19   27   35 o  131.217   13.747   52.491   9.7472   0.0000   0.0000   52.491   9.7472  ?   ?   131.217   13.747      ?      ? 
1 1 1   19   27   36 o   99.533   12.287   29.107   6.6087   0.0000   0.0000   29.107   6.6087  ?   ?    99.533   12.287      ?      ? 
1 1 1   19   27   37 o   49.672   18.100   7.7401   6.3047   0.0000   0.0000   7.7401   6.3047  ?   ?    49.672   18.100      ?      ? 
1 1 1   19   27   38 o   29.468   14.037  -5.5240   6.1647   0.0000   0.0000  -5.5240   6.1647  ?   ?    29.468   14.037      ?      ? 
1 1 1   19   28    0 o  123.570   18.317   38.023   9.5100   32.146   10.405   67.860   23.444  103.931   19.235  143.208   31.179 -39.27740 36.63491 
1 1 1   19   28    1 o  123.773   21.433   53.630   17.195   13.876   26.050   84.324   22.890   81.567   34.441  165.978   25.522 -84.41113 42.86653 
1 1 1   19   28    2 f   72.284   22.503   3.7912   16.593   7.5270   26.922   1.5032   21.070   77.525   33.887   67.043   29.618 10.48153 45.00581 
1 1 1   19   28    3 o  130.764   24.987   60.702   18.096   57.117   26.944   63.649   24.424  125.395   37.134  136.133   33.443 -10.73824 49.97388 
1 1 1   19   28    4 o   67.852   21.554  -0.5987   16.246  -2.9122   25.780   0.9252   20.923   69.457   31.548   66.247   29.377 3.210747 43.10846 
1 1 1   19   28    5 o   81.102   13.841   19.122   7.2283   34.906   10.196   3.1706   10.249  110.225   17.118   51.979   21.756 58.24590 27.68284 
1 1 1   19   28    6 f  209.040   7.3270  118.940   7.8836  127.117   13.551  114.756   9.6927  213.706   11.735  204.373   8.7767 9.333038 14.65391 
1 1 1   19   28    7 o  155.583   8.5296   66.279   6.9887   72.950   11.435   62.302   8.8295  161.273   13.122  149.894   10.901 11.37894 17.05920 
1 1 1   19   28    8 o   45.308   18.520   2.9309   7.1927   0.0000   0.0000   2.9309   7.1927  ?   ?    45.308   18.520      ?      ? 
1 1 1   19   28    9 o   44.642   18.474   2.4068   7.2720   0.0000   0.0000   2.4068   7.2720  ?   ?    44.642   18.474      ?      ? 
1 1 1   19   28   10 o   56.156   19.483   8.6987   7.2224   0.0000   0.0000   8.6987   7.2224  ?   ?    56.156   19.483      ?      ? 
1 1 1   19   28   11 o   63.085   19.203   11.861   7.1324   0.0000   0.0000   11.861   7.1324  ?   ?    63.085   19.203      ?      ? 
1 1 1   19   28   12 o  106.401   12.832   31.784   7.3779   0.0000   0.0000   31.784   7.3779  ?   ?   106.401   12.832      ?      ? 
1 1 1   19   28   13 o   66.591   18.595   13.416   6.9478   0.0000   0.0000   13.416   6.9478  ?   ?    66.591   18.595      ?      ? 
1 1 1   19   28   14 o   30.933   14.646  -6.8832   6.5144   0.0000   0.0000  -6.8832   6.5144  ?   ?    30.933   14.646      ?      ? 
1 1 1   19   28   15 o   61.753   18.334   11.473   6.5616   0.0000   0.0000   11.473   6.5616  ?   ?    61.753   18.334      ?      ? 
1 1 1   19   28   16 o  183.430   10.075   93.402   9.9865   0.0000   0.0000   93.402   9.9865  ?   ?   183.430   10.075      ?      ? 
1 1 1   19   28   17 f   42.215   17.611   1.9993   6.6849   0.0000   0.0000   1.9993   6.6849  ?   ?    42.215   17.611      ?      ? 
1 1 1   19   28   18 o   53.391   18.664   7.9757   6.6332   0.0000   0.0000   7.9757   6.6332  ?   ?    53.391   18.664      ?      ? 
1 1 1   19   28   19 o   32.166   14.997  -5.0180   6.3860   0.0000   0.0000  -5.0180   6.3860  ?   ?    32.166   14.997      ?      ? 
1 1 1   19   28   20 o   64.014   18.312   12.548   6.6539   0.0000   0.0000   12.548   6.6539  ?   ?    64.014   18.312      ?      ? 
1 1 1   19   28   21 o  137.971   9.7716   52.898   7.2852   0.0000   0.0000   52.898   7.2852  ?   ?   137.971   9.7716      ?      ? 
1 1 1   19   28   22 o   52.830   18.605   7.8275   6.5986   0.0000   0.0000   7.8275   6.5986  ?   ?    52.830   18.605      ?      ? 
1 1 1   19   28   23 o   28.266   13.667  -9.1435   6.3578   0.0000   0.0000  -9.1435   6.3578  ?   ?    28.266   13.667      ?      ? 
1 1 1   19   28   24 o   80.672   16.129   19.710   6.7853   0.0000   0.0000   19.710   6.7853  ?   ?    80.672   16.129      ?      ? 
1 1 1   19   28   25 o   36.350   16.363  -2.0054   6.7530   0.0000   0.0000  -2.0054   6.7530  ?   ?    36.350   16.363      ?      ? 
1 1 1   19   28   26 o  165.173   9.0018   76.079   8.0344   0.0000   0.0000   76.079   8.0344  ?   ?   165.173   9.0018      ?      ? 
1 1 1   19   28   27 o  110.463   12.072   35.107   7.2056   0.0000   0.0000   35.107   7.2056  ?   ?   110.463   12.072      ?      ? 
1 1 1   19   28   28 o   35.857   16.705  -4.9915   7.9005   0.0000   0.0000  -4.9915   7.9005  ?   ?    35.857   16.705      ?      ? 
1 1 1   19   28   30 o   79.924   22.487   21.598   10.120   0.0000   0.0000   21.598   10.120  ?   ?    79.924   22.487      ?      ? 
1 1 1   19   28   31 f   83.045   16.702   21.628   7.2351   0.0000   0.0000   21.628   7.2351  ?   ?    83.045   16.702      ?      ? 
1 1 1   19   28   32 o   51.480   18.784   8.5594   6.7935   0.0000   0.0000   8.5594   6.7935  ?   ?    51.480   18.784      ?      ? 
1 1 1   19   28   33 o   61.598   18.976   12.957   6.9395   0.0000   0.0000   12.957   6.9395  ?   ?    61.598   18.976      ?      ? 
1 1 1   19   28   34 o   97.119   13.877   28.354   7.2827   0.0000   0.0000   28.354   7.2827  ?   ?    97.119   13.877      ?      ? 
1 1 1   19   28   35 o  111.754   12.138   37.246   7.3299   0.0000   0.0000   37.246   7.3299  ?   ?   111.754   12.138      ?      ? 
1 1 1   19   29    0 o  190.321   8.6582  101.755   8.8580  106.832   12.140   95.973   12.954  195.818   11.473  184.824   12.971 10.99396 17.31644 
1 1 1   19   29    1 f   69.434   15.503   13.069   7.0277   5.0835   9.3907   23.235   10.596   52.783   21.314   86.086   22.519 -33.30241 31.00626 
1 1 1   19   29    2 o  105.432   13.475   33.907   7.3175   38.584   9.7701   27.930   11.044  116.160   15.565   94.704   22.000 21.45602 26.94966 
1 1 1   19   29    3 o   94.473   14.376   28.093   7.2484   34.816   9.7168   19.659   10.884  109.992   16.348   78.954   23.652 31.03768 28.75192 
1 1 1   19   29    4 o  122.540   18.464   53.858   9.4266   57.210   10.388   38.221   22.439  142.345   13.505  102.735   34.371 39.60966 36.92865 
1 1 1   19   29    5 o   69.074   23.338   14.419   10.347   0.0000   0.0000   14.419   10.347  ?   ?    69.074   23.338      ?      ? 
1 1 1   19   29    6 o  236.824   10.751  155.991   13.758   0.0000   0.0000  155.991   13.758  ?   ?   236.824   10.751      ?      ? 
1 1 1   19   29    8 o  149.974   14.327   64.054   11.611   0.0000   0.0000   64.054   11.611  ?   ?   149.974   14.327      ?      ? 
1 1 1   19   29    9 o   94.077   23.324   28.313   11.798   0.0000   0.0000   28.313   11.798  ?   ?    94.077   23.324      ?      ? 
1 1 1   19   29   10 o  137.782   10.965   52.978   8.1640   0.0000   0.0000   52.978   8.1640  ?   ?   137.782   10.965      ?      ? 
1 1 1   19   29   11 o   60.105   19.941   10.702   7.5571   0.0000   0.0000   10.702   7.5571  ?   ?    60.105   19.941      ?      ? 
1 1 1   19   29   12 o  106.242   13.295   32.045   7.6329   0.0000   0.0000   32.045   7.6329  ?   ?   106.242   13.295      ?      ? 
1 1 1   19   29   13 o   65.973   18.800   13.386   7.0274   0.0000   0.0000   13.386   7.0274  ?   ?    65.973   18.800      ?      ? 
1 1 1   19   29   14 o   45.304   18.636   3.1014   7.3411   0.0000   0.0000   3.1014   7.3411  ?   ?    45.304   18.636      ?      ? 
1 1 1   19   29   15 o  122.280   11.786   42.074   7.7874   0.0000   0.0000   42.074   7.7874  ?   ?   122.280   11.786      ?      ? 
1 1 1   19   29   16 o   46.326   18.509   4.1273   7.0002   0.0000   0.0000   4.1273   7.0002  ?   ?    46.326   18.509      ?      ? 
1 1 1   19   29   17 o   81.841   16.277   20.098   6.9451   0.0000   0.0000   20.098   6.9451  ?   ?    81.841   16.277      ?      ? 
1 1 1   19   29   18 o   55.546   19.105   8.9842   6.9368   0.0000   0.0000   8.9842   6.9368  ?   ?    55.546   19.105      ?      ? 
1 1 1   19   29   19 o   61.130   19.442   11.536   7.2257   0.0000   0.0000   11.536   7.2257  ?   ?    61.130   19.442      ?      ? 
1 1 1   19   29   20 o  102.773   13.205   30.286   7.3332   0.0000   0.0000   30.286   7.3332  ?   ?   102.773   13.205      ?      ? 
1 1 1   19   29   21 o   50.420   18.931   6.6181   6.9883   0.0000   0.0000   6.6181   6.9883  ?   ?    50.420   18.931      ?      ? 
1 1 1   19   29   22 o   95.298   14.398   26.481   7.4146   0.0000   0.0000   26.481   7.4146  ?   ?    95.298   14.398      ?      ? 
1 1 1   19   29   23 o   49.935   19.167   6.5398   7.2594   0.0000   0.0000   6.5398   7.2594  ?   ?    49.935   19.167      ?      ? 
1 1 1   19   29   24 o   33.086   15.514  -5.3054   6.9976   0.0000   0.0000  -5.3054   6.9976  ?   ?    33.086   15.514      ?      ? 
1 1 1   19   29   25 o   47.933   18.831   5.5026   7.1338   0.0000   0.0000   5.5026   7.1338  ?   ?    47.933   18.831      ?      ? 
1 1 1   19   29   26 o  107.373   13.135   33.352   7.6209   0.0000   0.0000   33.352   7.6209  ?   ?   107.373   13.135      ?      ? 
1 1 1   19   29   27 f   35.622   16.349  -3.3836   7.1619   0.0000   0.0000  -3.3836   7.1619  ?   ?    35.622   16.349      ?      ? 
1 1 1   19   29   28 o   30.961   14.825  -7.7892   7.0690   0.0000   0.0000  -7.7892   7.0690  ?   ?    30.961   14.825      ?      ? 
1 1 1   19   29   29 o   53.000   21.011   8.8245   8.9559   0.0000   0.0000   8.8245   8.9559  ?   ?    53.000   21.011      ?      ? 
1 1 1   19   29   30 o   84.518   17.988   23.718   7.9628   0.0000   0.0000   23.718   7.9628  ?   ?    84.518   17.988      ?      ? 
1 1 1   19   29   31 o   71.556   18.250   17.047   7.0789   0.0000   0.0000   17.047   7.0789  ?   ?    71.556   18.250      ?      ? 
1 1 1   19   29   32 f   85.262   16.003   23.446   7.1023   0.0000   0.0000   23.446   7.1023  ?   ?    85.262   16.003      ?      ? 
1 1 1   19   29   33 o   83.300   16.490   22.953   7.1599   0.0000   0.0000   22.953   7.1599  ?   ?    83.300   16.490      ?      ? 
1 1 1   19   30    0 o   96.622   20.537   29.074   10.392   29.074   10.392   0.0000   0.0000   96.622   20.537  ?   ?       ?      ? 
1 1 1   19   30    1 o  131.264   11.029   50.112   7.7693   53.838   10.698   45.953   11.302  137.073   14.443  125.454   16.672 11.61885 22.05770 
1 1 1   19   30    2 o   80.093   14.543   18.675   7.0120   7.1742   9.2969   33.849   10.679   55.162   21.548  105.024   19.536 -49.86216 29.08563 
1 1 1   19   30    3 o   61.762   16.414   10.487   7.4557   11.671   10.231   9.1464   10.888   63.454   23.067   60.069   23.359 3.384876 32.82880 
1 1 1   19   30    4 o   53.905   13.964   5.7314   6.3346  -6.4077   9.9119   14.113   8.2360   40.431   18.794   67.379   20.659 -26.94763 27.92884 
1 1 1   19   30    5 o  115.602   10.740   37.189   6.5375   45.023   10.827   32.694   8.2014  124.368   16.111  106.837   14.206 17.53052 21.47968 
1 1 1   19   30    6 f  128.641   9.7783   45.422   6.6312   56.059   10.953   39.267   8.3317  139.713   14.508  117.569   13.115 22.14370 19.55668 
1 1 1   19   30    7 o   56.243   19.836   8.9786   7.5034   0.0000   0.0000   8.9786   7.5034  ?   ?    56.243   19.836      ?      ? 
1 1 1   19   30    8 o   97.562   14.664   27.362   7.7307   0.0000   0.0000   27.362   7.7307  ?   ?    97.562   14.664      ?      ? 
1 1 1   19   30    9 o  135.842   14.742   53.076   10.821   0.0000   0.0000   53.076   10.821  ?   ?   135.842   14.742      ?      ? 
1 1 1   19   30   10 o  167.943   13.965   80.663   12.674   0.0000   0.0000   80.663   12.674  ?   ?   167.943   13.965      ?      ? 
1 1 1   19   30   11 o   78.139   24.090   19.987   11.181   0.0000   0.0000   19.987   11.181  ?   ?    78.139   24.090      ?      ? 
1 1 1   19   30   12 o  136.497   16.177   54.569   11.932   0.0000   0.0000   54.569   11.932  ?   ?   136.497   16.177      ?      ? 
1 1 1   19   30   13 o   80.916   24.518   21.992   11.647   0.0000   0.0000   21.992   11.647  ?   ?    80.916   24.518      ?      ? 
1 1 1   19   30   14 o   80.905   24.756   22.185   11.833   0.0000   0.0000   22.185   11.833  ?   ?    80.905   24.756      ?      ? 
1 1 1   19   30   15 o   60.006   23.746   9.3799   11.420   0.0000   0.0000   9.3799   11.420  ?   ?    60.006   23.746      ?      ? 
1 1 1   19   30   16 o   63.857   20.799   12.814   8.2351   0.0000   0.0000   12.814   8.2351  ?   ?    63.857   20.799      ?      ? 
1 1 1   19   30   17 o   65.986   19.444   13.814   7.4028   0.0000   0.0000   13.814   7.4028  ?   ?    65.986   19.444      ?      ? 
1 1 1   19   30   18 o   59.636   19.628   11.179   7.3267   0.0000   0.0000   11.179   7.3267  ?   ?    59.636   19.628      ?      ? 
1 1 1   19   30   19 o   56.478   19.982   9.8169   7.6199   0.0000   0.0000   9.8169   7.6199  ?   ?    56.478   19.982      ?      ? 
1 1 1   19   30   20 o   89.769   16.726   25.005   7.8148   0.0000   0.0000   25.005   7.8148  ?   ?    89.769   16.726      ?      ? 
1 1 1   19   30   21 o   41.567   18.017   0.9813   7.4779   0.0000   0.0000   0.9813   7.4779  ?   ?    41.567   18.017      ?      ? 
1 1 1   19   30   22 o   74.206   19.125   17.707   7.7169   0.0000   0.0000   17.707   7.7169  ?   ?    74.206   19.125      ?      ? 
1 1 1   19   30   23 o   83.262   17.897   21.763   7.8128   0.0000   0.0000   21.763   7.8128  ?   ?    83.262   17.897      ?      ? 
1 1 1   19   30   24 o   44.669   18.496   3.5092   7.2950   0.0000   0.0000   3.5092   7.2950  ?   ?    44.669   18.496      ?      ? 
1 1 1   19   30   25 o   50.923   19.190   7.8287   7.1931   0.0000   0.0000   7.8287   7.1931  ?   ?    50.923   19.190      ?      ? 
1 1 1   19   30   26 o   79.214   17.457   20.945   7.2711   0.0000   0.0000   20.945   7.2711  ?   ?    79.214   17.457      ?      ? 
1 1 1   19   30   27 o   47.198   18.784   5.8482   7.1838   0.0000   0.0000   5.8482   7.1838  ?   ?    47.198   18.784      ?      ? 
1 1 1   19   30   28 o   28.644   13.992 -10.8266   7.1394   0.0000   0.0000 -10.8266   7.1394  ?   ?    28.644   13.992      ?      ? 
1 1 1   19   30   29 o   61.672   20.087   13.636   7.6811   0.0000   0.0000   13.636   7.6811  ?   ?    61.672   20.087      ?      ? 
1 1 1   19   30   30 o   51.117   20.811   8.2189   9.0362   0.0000   0.0000   8.2189   9.0362  ?   ?    51.117   20.811      ?      ? 
1 1 1   19   31    0 o   46.117   14.514  -2.3625   7.3826  -7.3163   9.8983   3.8479   11.083   39.427   18.476   52.806   22.390 -13.37905 29.02858 
1 1 1   19   31    1 o  147.312   10.795   63.604   8.5101   68.259   11.595   58.170   12.529  154.081   13.927  140.542   16.498 13.53955 21.58983 
1 1 1   19   31    2 o   79.953   16.305   21.427   7.5532   24.520   9.9325   17.187   11.631   87.392   21.241   72.515   24.743 14.87646 32.60972 
1 1 1   19   31    3 o   76.959   14.740   19.771   6.4330   14.014   10.359   23.386   8.2075   66.792   23.324   87.126   18.028 -20.33389 29.47922 
1 1 1   19   31    4 o   61.626   14.408   7.3117   6.6351   22.950   10.344  -3.6201   8.6487   83.654   22.426   39.599   18.097 44.05478 28.81699 
1 1 1   19   31    5 o  143.225   9.4671   56.965   7.1470   67.703   11.782   50.714   8.9896  152.997   14.252  133.454   12.466 19.54378 18.93425 
1 1 1   19   31    6 o   58.592   20.113   10.333   7.6868   0.0000   0.0000   10.333   7.6868  ?   ?    58.592   20.113      ?      ? 
1 1 1   19   31    7 o  101.316   15.738   30.149   8.6160   0.0000   0.0000   30.149   8.6160  ?   ?   101.316   15.738      ?      ? 
1 1 1   19   31    8 o  109.645   14.123   34.759   8.3677   0.0000   0.0000   34.759   8.3677  ?   ?   109.645   14.123      ?      ? 
1 1 1   19   31    9 o   58.325   20.097   10.231   7.6778   0.0000   0.0000   10.231   7.6778  ?   ?    58.325   20.097      ?      ? 
1 1 1   19   31   10 o   44.431   18.603   2.6595   7.4976   0.0000   0.0000   2.6595   7.4976  ?   ?    44.431   18.603      ?      ? 
1 1 1   19   31   11 o   35.158   16.369  -5.0974   7.5662   0.0000   0.0000  -5.0974   7.5662  ?   ?    35.158   16.369      ?      ? 
1 1 1   19   31   12 o   30.926   14.946 -10.1315   7.5788   0.0000   0.0000 -10.1315   7.5788  ?   ?    30.926   14.946      ?      ? 
1 1 1   19   31   13 o   40.814   17.779   0.6909   7.3544   0.0000   0.0000   0.6909   7.3544  ?   ?    40.814   17.779      ?      ? 
1 1 1   19   31   14 o   45.083   18.888   3.2469   7.7363   0.0000   0.0000   3.2469   7.7363  ?   ?    45.083   18.888      ?      ? 
1 1 1   19   31   15 o   44.082   18.741   2.4141   7.8004   0.0000   0.0000   2.4141   7.8004  ?   ?    44.082   18.741      ?      ? 
1 1 1   19   31   16 o   56.312   23.392   7.2116   11.723   0.0000   0.0000   7.2116   11.723  ?   ?    56.312   23.392      ?      ? 
1 1 1   19   31   17 o   54.310   22.985   5.4665   11.645   0.0000   0.0000   5.4665   11.645  ?   ?    54.310   22.985      ?      ? 
1 1 1   19   31   18 o   69.039   25.024   15.968   12.028   0.0000   0.0000   15.968   12.028  ?   ?    69.039   25.024      ?      ? 
1 1 1   19   31   19 o   43.017   20.148  -6.7408   11.745   0.0000   0.0000  -6.7408   11.745  ?   ?    43.017   20.148      ?      ? 
1 1 1   19   31   20 o  139.934   16.488   59.773   12.467   0.0000   0.0000   59.773   12.467  ?   ?   139.934   16.488      ?      ? 
1 1 1   19   31   21 o   54.947   23.156   8.3775   11.739   0.0000   0.0000   8.3775   11.739  ?   ?    54.947   23.156      ?      ? 
1 1 1   19   31   22 o   63.808   24.779   16.154   12.239   0.0000   0.0000   16.154   12.239  ?   ?    63.808   24.779      ?      ? 
1 1 1   19   31   23 o   68.238   24.868   18.088   11.901   0.0000   0.0000   18.088   11.901  ?   ?    68.238   24.868      ?      ? 
1 1 1   19   31   24 o   58.822   24.057   10.982   12.144   0.0000   0.0000   10.982   12.144  ?   ?    58.822   24.057      ?      ? 
1 1 1   19   31   25 o   40.885   19.945 -14.4730   14.370   0.0000   0.0000 -14.4730   14.370  ?   ?    40.885   19.945      ?      ? 
1 1 1   19   31   26 o  101.280   29.503   47.995   17.131   0.0000   0.0000   47.995   17.131  ?   ?   101.280   29.503      ?      ? 
1 1 1   19   32    0 o   64.897   16.087   10.611   7.5283   1.7295   9.6259   24.599   12.081   46.709   20.344   83.084   24.925 -36.37488 32.17334 
1 1 1   19   32    1 o   84.958   15.676   23.391   7.4626   15.399   9.7441   34.728   11.606   67.675   22.650  102.242   21.679 -34.56636 31.35266 
1 1 1   19   32    2 o   78.212   14.398   21.569   6.4216   13.324   10.480   26.525   8.1257   63.930   23.330   92.494   16.880 -28.56430 28.79621 
1 1 1   19   32    3 o   93.455   13.868   29.259   6.7469   22.502   10.670   33.761   8.7088   80.412   23.244  106.497   15.133 -26.08466 27.73616 
1 1 1   19   32    4 o   82.579   14.907   23.504   6.8276   17.610   10.339   28.061   9.0919   71.324   23.309   93.833   18.588 -22.50926 29.81352 
1 1 1   19   32    5 o   45.243   19.094   3.0204   8.0005   0.0000   0.0000   3.0204   8.0005  ?   ?    45.243   19.094      ?      ? 
1 1 1   19   32    6 o   56.549   20.344   9.7956   7.9302   0.0000   0.0000   9.7956   7.9302  ?   ?    56.549   20.344      ?      ? 
1 1 1   19   32    7 o   45.162   19.140   2.7753   8.0928   0.0000   0.0000   2.7753   8.0928  ?   ?    45.162   19.140      ?      ? 
1 1 1   19   32    8 o   43.213   18.422   2.0483   7.5751   0.0000   0.0000   2.0483   7.5751  ?   ?    43.213   18.422      ?      ? 
1 1 1   19   32    9 o   29.828   14.562 -12.2219   7.7012   0.0000   0.0000 -12.2219   7.7012  ?   ?    29.828   14.562      ?      ? 
1 1 1   19   32   10 o   69.644   28.027   15.752   16.178   0.0000   0.0000   15.752   16.178  ?   ?    69.644   28.027      ?      ? 
1 1 1   19   32   11 o  119.375   13.357   41.309   8.6160   0.0000   0.0000   41.309   8.6160  ?   ?   119.375   13.357      ?      ? 
1 1 1   19   32   12 o   93.642   17.123   27.063   8.3453   0.0000   0.0000   27.063   8.3453  ?   ?    93.642   17.123      ?      ? 
1 1 1   19   32   13 o   33.882   16.068  -7.3682   7.9022   0.0000   0.0000  -7.3682   7.9022  ?   ?    33.882   16.068      ?      ? 
1 1 1   19   32   14 o   50.713   20.083   6.4473   8.1743   0.0000   0.0000   6.4473   8.1743  ?   ?    50.713   20.083      ?      ? 
1 1 1   19   32   15 o   48.697   19.862   5.5660   8.2504   0.0000   0.0000   5.5660   8.2504  ?   ?    48.697   19.862      ?      ? 
1 1 1   19   32   16 o   45.661   19.438   3.9704   8.4111   0.0000   0.0000   3.9704   8.4111  ?   ?    45.661   19.438      ?      ? 
1 1 1   19   32   17 o  110.046   17.271   39.349   10.270   0.0000   0.0000   39.349   10.270  ?   ?   110.046   17.271      ?      ? 
1 1 1   19   32   18 o   55.137   21.839   9.7195   9.6678   0.0000   0.0000   9.7195   9.6678  ?   ?    55.137   21.839      ?      ? 
1 1 1   19   32   19 o  162.859   13.003   78.657   11.443   0.0000   0.0000   78.657   11.443  ?   ?   162.859   13.003      ?      ? 
1 1 1   19   32   21 o   55.842   21.755   10.621   9.4569   0.0000   0.0000   10.621   9.4569  ?   ?    55.842   21.755      ?      ? 
1 1 1   19   32   22 o   71.187   22.162   19.627   9.4374   0.0000   0.0000   19.627   9.4374  ?   ?    71.187   22.162      ?      ? 
1 1 1   19   33    0 o   55.240   16.852   4.8117   8.9235   3.9527   11.301   6.2342   14.543   52.068   22.357   58.412   25.223 -6.343231 33.70480 
1 1 1   19   33    1 o   38.216   13.197 -16.1902   8.5873 -13.9009   10.676 -20.3851   14.452   36.131   17.527   40.301   19.733 -4.169697 26.39315 
1 1 1   19   33    2 f   81.729   17.772   24.786   9.0356   29.617   11.454   16.827   14.702   93.265   22.897   70.194   27.186 23.07158 35.54347 
1 1 1   19   33    3 o   40.328   13.782 -14.0272   8.6263 -17.8063   10.951  -7.8491   14.002   34.555   16.972   46.101   21.720 -11.54586 27.56431 
1 1 1   19   33    4 o   52.667   23.829   0.4410   14.537   0.0000   0.0000   0.4410   14.537  ?   ?    52.667   23.829      ?      ? 
1 1 1   19   33    5 o  122.885   17.881   46.971   11.874   0.0000   0.0000   46.971   11.874  ?   ?   122.885   17.881      ?      ? 
1 1 1   19   33    6 o   47.785   21.405   0.7669   11.402   0.0000   0.0000   0.7669   11.402  ?   ?    47.785   21.405      ?      ? 
1 1 1   19   33    7 o   82.267   24.316   25.480   11.562   0.0000   0.0000   25.480   11.562  ?   ?    82.267   24.316      ?      ? 
1 1 1   19   33    8 o   55.365   22.829   9.2580   11.048   0.0000   0.0000   9.2580   11.048  ?   ?    55.365   22.829      ?      ? 
1 1 1   19   33    9 o   68.997   24.765   19.236   11.744   0.0000   0.0000   19.236   11.744  ?   ?    68.997   24.765      ?      ? 
1 1 1   19   33   10 o   47.035   20.981   2.7607   10.833   0.0000   0.0000   2.7607   10.833  ?   ?    47.035   20.981      ?      ? 
1 1 1   19   33   11 o   38.685   18.429  -7.2475   10.631   0.0000   0.0000  -7.2475   10.631  ?   ?    38.685   18.429      ?      ? 
1 1 1   19   33   12 o  124.603   16.938   49.141   11.404   0.0000   0.0000   49.141   11.404  ?   ?   124.603   16.938      ?      ? 
1 1 1   19   33   13 o   66.655   23.681   16.388   10.713   0.0000   0.0000   16.388   10.713  ?   ?    66.655   23.681      ?      ? 
1 1 1   19   33   14 o   62.332   23.445   13.837   10.727   0.0000   0.0000   13.837   10.727  ?   ?    62.332   23.445      ?      ? 
1 1 1   19   33   15 o   40.507   18.454  -1.1660   8.9054   0.0000   0.0000  -1.1660   8.9054  ?   ?    40.507   18.454      ?      ? 
1 1 1   19   33   16 o   49.015   20.479   6.3596   9.0591   0.0000   0.0000   6.3596   9.0591  ?   ?    49.015   20.479      ?      ? 
1 1 1   19   33   17 o   58.189   20.401   12.330   7.9287   0.0000   0.0000   12.330   7.9287  ?   ?    58.189   20.401      ?      ? 
1 1 1   19   34    0 o   71.842   16.558   19.574   7.6232   22.905   9.9695   14.883   11.829   79.644   22.287   64.041   24.494 15.60293 33.11599 
1 1 1   19   34    1 o   54.465   15.020   9.0724   6.5474   4.8491   10.611   11.669   8.3199   50.176   21.606   58.754   20.870 -8.577759 30.03960 
1 1 1   19   34    2 o   59.685   15.899   11.859   6.9009   14.358   10.741   10.102   9.0051   63.296   23.529   56.074   21.389 7.221973 31.79775 
1 1 1   19   34    3 o  109.437   11.621   36.421   6.7766   44.459   10.698   31.034   8.7578  119.073   16.626   99.800   16.240 19.27239 23.24121 
1 1 1   19   34    4 o   59.423   20.037   12.029   7.6263   0.0000   0.0000   12.029   7.6263  ?   ?    59.423   20.037      ?      ? 
1 1 1   19   34    5 o   36.754   16.963  -2.9583   7.8611   0.0000   0.0000  -2.9583   7.8611  ?   ?    36.754   16.963      ?      ? 
1 1 1   19   34    6 o   45.816   18.836   4.9944   7.4938   0.0000   0.0000   4.9944   7.4938  ?   ?    45.816   18.836      ?      ? 
1 1 1   19   34    7 o   46.697   19.337   5.3564   7.9742   0.0000   0.0000   5.3564   7.9742  ?   ?    46.697   19.337      ?      ? 
1 1 1   19   34    8 o   57.355   20.286   11.680   7.8527   0.0000   0.0000   11.680   7.8527  ?   ?    57.355   20.286      ?      ? 
1 1 1   19   34    9 o   82.092   18.660   23.349   8.0899   0.0000   0.0000   23.349   8.0899  ?   ?    82.092   18.660      ?      ? 
1 1 1   19   34   10 o   35.725   16.624  -3.0917   7.7869   0.0000   0.0000  -3.0917   7.7869  ?   ?    35.725   16.624      ?      ? 
1 1 1   20    0    0 o  319.191   4.6836  275.689   11.413  275.689   11.413  275.689   11.413  319.191   6.6236  319.191   6.6236 0.000000 0.000000 
1 1 1   20    0    1 o  371.462   5.1470  373.340   14.598  373.340   14.598  373.340   14.598  371.462   7.2790  371.462   7.2790 0.000000 0.000000 
1 1 1   20    0    2 o  1331.47   15.888  4806.30  161.561  4806.30  161.561  4806.30  161.561  1331.47   22.470  1331.47   22.470 0.000000 0.000000 
1 1 1   20    0    3 o  222.954   4.0235  134.588   6.8451  134.588   6.8451  134.588   6.8451  222.954   5.6900  222.954   5.6900 0.000000 0.000000 
1 1 1   20    0    5 o  564.225   10.058  862.612   43.304  862.612   43.304  862.612   43.304  564.225   14.224  564.225   14.224 0.000000 0.000000 
1 1 1   20    0    6 o  550.144   9.8340  820.045   41.284  820.045   41.284  820.045   41.284  550.144   13.907  550.144   13.907 0.000000 0.000000 
1 1 1   20    0    7 o  381.405   7.4956  394.144   21.809  394.144   21.809  394.144   21.809  381.405   10.600  381.405   10.600 0.000000 0.000000 
1 1 1   20    0    8 o  344.995   7.0576  322.522   18.572  322.522   18.572  322.522   18.572  344.995   9.9810  344.995   9.9810 0.000000 0.000000 
1 1 1   20    0   10 o  513.315   6.6009  712.865   25.874  712.865   25.874  712.865   25.874  513.315   9.3351  513.315   9.3351 0.000000 0.000000 
1 1 1   20    0   11 o  446.732   5.9086  539.914   20.155  539.914   20.155  539.914   20.155  446.732   8.3560  446.732   8.3560 0.000000 0.000000 
1 1 1   20    0   12 o  624.066   7.7947  1053.73   37.147  1053.73   37.147  1053.73   37.147  624.066   11.023  624.066   11.023 0.000000 0.000000 
1 1 1   20    0   13 o  582.470   7.3518  917.935   32.701  917.935   32.701  917.935   32.701  582.470   10.397  582.470   10.397 0.000000 0.000000 
1 1 1   20    0   14 o  1105.66   13.266  3310.75  112.013  3310.75  112.013  3310.75  112.013  1105.66   18.760  1105.66   18.760 0.000000 0.000000 
1 1 1   20    0   15 o  1315.99   15.722  4693.23  158.006  4693.23  158.006  4693.23  158.006  1315.99   22.234  1315.99   22.234 0.000000 0.000000 
1 1 1   20    0   19 o  1459.87   17.402  5779.96  194.019  5779.96  194.019  5779.96  194.019  1459.87   24.610  1459.87   24.610 0.000000 0.000000 
1 1 1   20    0   22 o  683.903   8.4899  1265.98   44.340  1265.98   44.340  1265.98   44.340  683.903   12.006  683.903   12.006 0.000000 0.000000 
1 1 1   20    0   26 o   60.574   14.088   12.688   5.7876   12.688   5.7876   12.688   5.7876   60.574   19.923   60.574   19.923 0.000000 0.000000 
1 1 1   20    0   28 o  426.482   5.9817  492.319   19.478  492.319   19.478  492.319   19.478  426.482   8.4593  426.482   8.4593 0.000000 0.000000 
1 1 1   20    0   29 o  277.049   4.5928  207.803   9.7117  207.803   9.7117  207.803   9.7117  277.049   6.4952  277.049   6.4952 0.000000 0.000000 
1 1 1   20    0   30 o   30.862   11.979   3.5814   4.0666   3.5814   4.0666   3.5814   4.0666   30.862   16.941   30.862   16.941 0.000000 0.000000 
1 1 1   20    0   31 o  115.313   5.6415   36.468   4.9167   36.468   4.9167   36.468   4.9167  115.313   7.9783  115.313   7.9783 0.000000 0.000000 
1 1 1   20    0   32 o  386.823   5.4451  405.085   16.082  405.085   16.082  405.085   16.082  386.823   7.7005  386.823   7.7005 0.000000 0.000000 
1 1 1   20    0   36 o  156.715   4.8312   66.803   5.7608   66.803   5.7608   66.803   5.7608  156.715   6.8323  156.715   6.8323 0.000000 0.000000 
1 1 1   20    0   37 o   84.385   7.4770   20.179   4.6166   20.179   4.6166   20.179   4.6166   84.385   10.574   84.385   10.574 0.000000 0.000000 
1 1 1   20    0   38 o  162.746   4.8369   72.043   5.9914   72.043   5.9914   72.043   5.9914  162.746   6.8404  162.746   6.8404 0.000000 0.000000 
1 1 1   20    0   39 o   38.925   13.169   6.0696   4.5025   6.0696   4.5025   6.0696   4.5025   38.925   18.624   38.925   18.624 0.000000 0.000000 
1 1 1   20    0   40 o   79.958   8.1289   18.386   4.6689   18.386   4.6689   18.386   4.6689   79.958   11.496   79.958   11.496 0.000000 0.000000 
1 1 1   20    0   41 o   52.197   12.885   9.7151   4.6497   9.7151   4.6497   9.7151   4.6497   52.197   18.222   52.197   18.222 0.000000 0.000000 
1 1 1   20    0   42 o  231.355   4.6582  145.265   8.2205  145.265   8.2205  145.265   8.2205  231.355   6.5876  231.355   6.5876 0.000000 0.000000 
1 1 1   20    0   43 o  191.252   4.7716   99.425   6.9541   99.425   6.9541   99.425   6.9541  191.252   6.7480  191.252   6.7480 0.000000 0.000000 
1 1 1   20    0   44 o  467.918   6.3168  595.014   22.569  595.014   22.569  595.014   22.569  467.918   8.9333  467.918   8.9333 0.000000 0.000000 
1 1 1   20    0   45 o  265.992   4.7956  192.128   9.7337  192.128   9.7337  192.128   9.7337  265.992   6.7820  265.992   6.7820 0.000000 0.000000 
1 1 1   20    0   46 o  259.979   6.6430  184.505   13.159  184.505   13.159  184.505   13.159  259.979   9.3946  259.979   9.3946 0.000000 0.000000 
1 1 1   20    0   49 o   35.457   15.302   3.4752   7.8451   3.4752   7.8451   3.4752   7.8451   35.457   21.640   35.457   21.640 0.000000 0.000000 
1 1 1   20    0   50 o   18.837   9.3152  -4.8189   4.9728  -4.8189   4.9728  -4.8189   4.9728   18.837   13.174   18.837   13.174 0.000000 0.000000 
1 1 1   20    0   51 o   32.484   13.136   3.9260   5.1441   3.9260   5.1441   3.9260   5.1441   32.484   18.578   32.484   18.578 0.000000 0.000000 
1 1 1   20    0   52 o  105.982   7.2357   31.602   5.7348   31.602   5.7348   31.602   5.7348  105.982   10.233  105.982   10.233 0.000000 0.000000 
1 1 1   20    0   53 o  203.014   5.0302  112.599   7.7822  112.599   7.7822  112.599   7.7822  203.014   7.1137  203.014   7.1137 0.000000 0.000000 
1 1 1   20    0   54 o   69.006   12.517   15.603   5.7057   15.603   5.7057   15.603   5.7057   69.006   17.702   69.006   17.702 0.000000 0.000000 
1 1 1   20    0   55 o  297.557   5.2412  241.958   11.901  241.958   11.901  241.958   11.901  297.557   7.4122  297.557   7.4122 0.000000 0.000000 
1 1 1   20    0   56 o   18.678   9.3766  -7.1211   5.6775  -7.1211   5.6775  -7.1211   5.6775   18.678   13.260   18.678   13.260 0.000000 0.000000 
1 1 1   20    0   57 o   80.862   11.721   20.571   6.4016   20.571   6.4016   20.571   6.4016   80.862   16.576   80.862   16.576 0.000000 0.000000 
1 1 1   20    0   58 o  247.552   5.4174  168.019   10.226  168.019   10.226  168.019   10.226  247.552   7.6614  247.552   7.6614 0.000000 0.000000 
1 1 1   20    0   59 o   89.446   10.991   24.790   6.8330   24.790   6.8330   24.790   6.8330   89.446   15.544   89.446   15.544 0.000000 0.000000 
1 1 1   20    0   60 o  155.531   6.7656   67.799   7.9716   67.799   7.9716   67.799   7.9716  155.531   9.5680  155.531   9.5680 0.000000 0.000000 
1 1 1   20    0   61 o   50.535   16.280   11.573   6.8218   11.573   6.8218   11.573   6.8218   50.535   23.023   50.535   23.023 0.000000 0.000000 
1 1 1   20    1    0 o  611.771   7.6422  1011.95   25.256  995.156   35.177  1029.82   36.282  606.539   10.733  617.003   10.882 -10.46436 15.28449 
1 1 1   20    1    1 o  147.378   5.5652   58.703   4.4320   0.0000   0.0000   58.703   4.4320  ?   ?   147.378   5.5652      ?      ? 
1 1 1   20    1    2 o  648.111   8.0380  1135.95   28.141  1152.95   40.421  1119.96   39.202  652.809   11.459  643.413   11.275 9.395874 16.07605 
1 1 1   20    1    3 o  216.945   3.9743  127.225   4.6580  124.167   6.5922  130.275   6.5825  214.340   5.6917  219.550   5.5484 -5.210129 7.948596 
1 1 1   20    1    4 o  676.988   10.262  1235.57   35.188  1225.77   42.777  1256.08   61.881  673.097   11.761  680.880   16.819 -7.783264 20.52311 
1 1 1   20    1    5 o  267.322   5.1883  193.405   7.1271  193.921   8.8149  192.432   12.112  267.858   6.0901  266.785   8.4014 1.073273 10.37652 
1 1 1   20    1    6 o  501.415   9.0908  679.813   24.631   0.0000   0.0000  679.813   24.631  ?   ?   501.415   9.0908      ?      ? 
1 1 1   20    1    7 o  222.309   5.2500  128.947   5.5934  143.671   11.060  123.887   6.4837  230.516   8.8793  214.102   5.6042 16.41374 10.49992 
1 1 1   20    1    8 o  593.578   9.1101  955.111   27.651  958.900   34.029  947.748   47.439  595.453   10.576  591.703   14.837 3.750000 18.22026 
1 1 1   20    1    9 o  447.068   5.8972  540.290   14.246  535.973   20.044  544.696   20.252  445.264   8.3305  448.872   8.3493 -3.608154 11.79439 
1 1 1   20    1   10 o  699.886   8.6360  1324.87   32.657  1335.06   46.601  1315.04   45.779  702.526   12.276  697.247   12.150 5.279236 17.27206 
1 1 1   20    1   11 o  530.256   6.7752  760.203   19.413  756.606   27.374  763.841   27.535  528.995   9.5764  531.518   9.5868 -2.523132 13.55041 
1 1 1   20    1   12 o  621.894   7.7632  1044.94   26.069  1070.57   37.749  1021.57   36.045  629.170   11.103  614.617   10.853 14.55371 15.52636 
1 1 1   20    1   13 o  790.598   9.6714  1691.35   41.317  1686.36   58.345  1696.37   58.519  789.429   13.677  791.768   13.678 -2.339172 19.34283 
1 1 1   20    1   14 o  863.666   10.490  2018.82   48.948  2000.72   68.545  2037.67   69.922  859.723   14.755  867.608   14.914 -7.884705 20.97947 
1 1 1   20    1   15 o  193.603   4.3429  101.393   4.5375  103.327   6.2946   99.300   6.5468  195.529   5.9576  191.677   6.3207 3.852081 8.685890 
1 1 1   20    1   16 o  408.636   5.6101  451.338   12.387  456.893   17.663  445.962   17.376  411.110   7.9510  406.163   7.9169 4.946899 11.22027 
1 1 1   20    1   17 o  721.568   8.8584  1408.69   34.540  1413.57   48.903  1403.82   48.791  722.818   12.520  720.318   12.535 2.499268 17.71689 
1 1 1   20    1   18 o  551.591   7.0015  822.362   20.857  811.372   28.934  834.250   30.092  547.762   9.7751  555.419   10.026 -7.656555 14.00299 
1 1 1   20    1   19 o  581.742   10.338  915.314   32.498  915.314   32.498   0.0000   0.0000  581.742   10.338  ?   ?       ?      ? 
1 1 1   20    1   20 o  765.830   9.3798  1586.11   38.791  1626.93   56.107  1548.73   53.690  775.247   13.393  756.414   13.135 18.83234 18.75961 
1 1 1   20    1   21 o  384.836   7.4671  400.400   15.528  400.400   15.528   0.0000   0.0000  384.836   7.4671  ?   ?       ?      ? 
1 1 1   20    1   22 o  617.673   10.920  1032.30   36.447  1032.30   36.447   0.0000   0.0000  617.673   10.920  ?   ?       ?      ? 
1 1 1   20    1   23 f  543.346   6.9824  798.520   20.500  808.451   29.112  788.751   28.872  546.698   9.8544  539.994   9.8947 6.704407 13.96472 
1 1 1   20    1   27 o  572.250   7.3575  886.247   22.750  890.298   32.078  882.148   32.270  573.570   10.350  570.929   10.460 2.641296 14.71506 
1 1 1   20    1   29 o  504.671   6.5507  689.159   17.863  685.110   25.090  693.322   25.438  503.171   9.2277  506.171   9.3004 -3.000214 13.10147 
1 1 1   20    1   30 o  104.751   5.8548   29.871   3.2929   32.928   4.5861   26.618   4.7311  110.327   7.6925   99.175   8.8283 11.15237 11.70954 
1 1 1   20    1   31 o  106.662   5.7529   30.865   3.3051   31.923   4.5450   29.678   4.8150  108.615   7.7437  104.710   8.5099 3.905731 11.50579 
1 1 1   20    1   33 o  652.985   8.1867  1156.57   28.885  1149.83   40.592  1163.47   41.113  651.069   11.538  654.901   11.617 -3.832214 16.37331 
1 1 1   20    1   34 o  214.969   4.4562  124.976   5.1735  123.491   7.1789  126.580   7.4621  213.645   6.2184  216.293   6.3846 -2.648132 8.912392 
1 1 1   20    1   35 o  175.313   4.5981   83.239   4.3517   84.698   6.0558   81.682   6.2578  176.909   6.3348  173.716   6.6664 3.192841 9.196231 
1 1 1   20    1   36 o  295.461   4.7714  235.917   7.6109  248.549   11.036  224.459   10.510  302.990   6.7404  287.931   6.7553 15.05908 9.542893 
1 1 1   20    1   37 o  385.059   5.4588  401.725   11.356  409.303   16.234  394.461   15.893  388.612   7.7306  381.505   7.7092 7.107422 10.91756 
1 1 1   20    1   38 o   62.143   9.6869   11.063   3.1779   13.163   4.4331   8.8436   4.5578   68.434   12.447   55.851   14.847 12.58369 19.37384 
1 1 1   20    1   39 f  137.857   5.2042   51.580   3.8680   52.400   5.3191   50.659   5.6350  139.039   7.0796  136.674   7.6299 2.365021 10.40848 
1 1 1   20    1   40 o  295.240   4.8169  236.086   7.6794  230.757   10.622  241.921   11.115  291.764   6.7376  298.716   6.8860 -6.952698 9.633857 
1 1 1   20    1   41 o   71.192   8.9425   14.297   3.3219   15.840   4.5235   12.491   4.8940   76.172   10.990   66.212   14.110 9.959618 17.88507 
1 1 1   20    1   42 o  253.206   4.6821  173.972   6.4041  179.564   9.0737  168.423   9.0398  257.276   6.5268  249.137   6.7148 8.138672 9.364153 
1 1 1   20    1   43 o  197.508   4.7106  105.914   5.0257  108.705   7.0876  103.091   7.1274  200.140   6.5536  194.875   6.7684 5.264847 9.421266 
1 1 1   20    1   44 o  298.505   4.9505  242.164   7.9850  244.975   11.311  239.371   11.274  300.239   6.9718  296.771   7.0302 3.468201 9.900989 
1 1 1   20    1   45 o   83.000   11.046   19.086   4.8108   15.142   6.3292   24.482   7.4032   72.162   16.580   93.837   14.600 -21.67429 22.09183 
1 1 1   20    1   46 o  134.838   7.6484   49.834   5.5427   48.716   7.4265   51.239   8.3279  133.240   10.315  136.436   11.296 -3.196594 15.29679 
1 1 1   20    1   47 o  182.674   6.8735   92.088   6.7407   97.207   9.1981   86.149   9.9070  188.383   9.0359  176.965   10.360 11.41772 13.74697 
1 1 1   20    1   48 o  194.383   6.0546  106.675   6.0049  114.551   7.5311   92.928   9.9499  205.024   6.7977  183.743   10.021 21.28137 12.10922 
1 1 1   20    1   49 o   53.468   13.717   7.2266   5.0876   8.2590   7.6552   6.4099   6.8088   55.913   20.002   51.023   18.777 4.890099 27.43425 
1 1 1   20    1   50 o   45.912   12.977   2.9478   5.1561  -2.1173   7.7865   6.9032   6.8808   39.809   17.771   52.015   18.916 -12.20634 25.95389 
1 1 1   20    1   51 o  133.036   6.0716   48.678   4.3637   50.207   6.2194   47.196   6.1241  135.111   8.5187  130.960   8.6540 4.150696 12.14326 
1 1 1   20    1   52 o   91.409   8.0027   23.432   3.9342   20.914   5.5686   25.941   5.5589   86.319   11.939   96.500   10.660 -10.18121 16.00546 
1 1 1   20    1   53 o   88.666   8.3870   22.137   4.0154   23.165   5.6935   21.120   5.6638   90.790   11.605   86.541   12.111 4.248596 16.77405 
1 1 1   20    1   54 o   91.987   8.9115   24.526   4.1454   16.933   5.7586   32.693   5.9723   75.673   14.612  108.300   10.205 -32.62776 17.82292 
1 1 1   20    1   55 o   71.631   10.930   15.526   4.1124   17.477   5.8277   13.591   5.8041   76.576   14.617   66.686   16.255 9.889877 21.86017 
1 1 1   20    1   56 o  182.198   5.5328   91.841   5.4466   89.850   7.6731   93.864   7.7324  180.176   7.8811  184.219   7.7677 -4.043213 11.06565 
1 1 1   20    1   57 o  114.387   7.7609   37.666   4.6924   29.131   6.6418   46.171   6.6303  100.597   12.218  128.176   9.5728 -27.57874 15.52180 
1 1 1   20    1   58 o  123.279   7.5767   42.988   5.0465   42.480   7.1647   43.487   7.1094  122.501   10.824  124.057   10.605 -1.556175 15.15335 
1 1 1   20    1   59 o   53.284   13.112   9.2394   4.6559   7.9891   6.6576   10.436   6.5135   50.609   18.576   55.959   18.511 -5.349499 26.22425 
1 1 1   20    1   60 o   52.577   11.550   6.3849   4.7070   17.178   6.7115  -4.0620   6.6032   72.486   17.363   32.667   15.237 39.81958 23.10057 
1 1 1   20    1   61 o   64.718   13.353   14.823   4.9708   13.837   7.0927   15.775   6.9683   62.337   19.181   67.099   18.582 -4.761940 26.70628 
1 1 1   20    2    0 o  624.437   7.7912  1054.25   26.278  1072.47   37.851  1037.30   36.509  629.635   11.125  619.239   10.911 10.39661 15.58249 
1 1 1   20    2    1 o  745.014   9.1354  1502.10   36.775  1509.35   52.355  1495.05   51.666  746.782   12.974  743.246   12.864 3.535522 18.27072 
1 1 1   20    2    2 o  353.882   4.9905  338.519   9.5416  338.937   13.617  338.115   13.374  354.095   7.1165  353.668   6.9982 0.4268188 9.980972 
1 1 1   20    2    3 o  470.357   6.1372  598.122   15.598  591.586   21.916  604.832   22.204  467.754   8.6707  472.961   8.6880 -5.206818 12.27446 
1 1 1   20    2    4 o  389.099   6.5247  408.770   12.941  407.526   15.846  411.261   22.423  388.265   7.5525  389.933   10.642 -1.668243 13.04946 
1 1 1   20    2    5 o  413.165   6.8739  467.340   14.536  443.468   24.597  480.152   18.020  404.895   11.242  421.436   7.9129 -16.54123 13.74777 
1 1 1   20    2    6 o  118.702   6.2311   38.853   3.3021   36.757   6.9668   39.460   3.7500  116.572   11.060  120.832   5.7433 -4.260139 12.46225 
1 1 1   20    2    7 o  170.115   4.5770   80.267   4.0608   69.279   6.3936   87.696   5.2573  160.091   7.3908  180.138   5.4010 -20.04640 9.153918 
1 1 1   20    2    8 o  190.879   4.0095   98.417   4.1322   99.649   5.9809   97.292   5.7158  192.020   5.7641  189.737   5.5749 2.282928 8.019038 
1 1 1   20    2    9 o  331.495   5.8694  295.562   9.9741  292.370   12.263  301.802   17.145  328.892   6.9000  334.097   9.4968 -5.204987 11.73875 
1 1 1   20    2   10 o  184.010   5.7285   91.507   5.6960   0.0000   0.0000   91.507   5.6960  ?   ?   184.010   5.7285      ?      ? 
1 1 1   20    2   11 o  268.761   4.4212  195.027   6.4144  199.258   9.3208  191.220   8.8409  271.526   6.3526  265.996   6.1509 5.530243 8.842463 
1 1 1   20    2   12 o  860.232   10.445  2002.75   48.553  1993.04   68.360  2012.63   68.972  858.131   14.742  862.332   14.802 -4.200623 20.89068 
1 1 1   20    2   13 o  982.832   11.874  2615.98   63.062  2619.05   89.464  2612.95   88.905  983.399   16.836  982.264   16.750 1.135193 23.74865 
1 1 1   20    2   14 o  517.005   6.6717  722.271   18.631  707.700   25.883  737.938   26.838  511.601   9.3625  522.409   9.5073 -10.80881 13.34332 
1 1 1   20    2   15 o  417.193   5.7064  470.239   12.858  478.802   18.545  462.312   17.842  420.846   8.1548  413.540   7.9844 7.305695 11.41281 
1 1 1   20    2   16 o  843.879   10.276  1926.77   46.844  1896.64   65.206  1958.90   67.339  837.078   14.416  850.680   14.649 -13.60291 20.55268 
1 1 1   20    2   17 o   93.538   5.0400   22.238   2.3375   20.337   2.7480   27.214   4.4456   86.745   5.8624  100.331   8.1998 -13.58677 10.07996 
1 1 1   20    2   18 o  1116.92   13.476  3380.46   81.301  3334.37  113.166  3429.63  116.878  1109.08   18.883  1124.75   19.230 -15.66211 26.95123 
1 1 1   20    2   19 o  280.105   4.4658  211.293   6.6918  206.798   8.8162  217.402   10.279  276.611   5.8983  283.600   6.7071 -6.989075 8.931696 
1 1 1   20    2   20 o  885.268   10.743  2121.30   51.365  2168.76   74.035  2077.25   71.324  894.791   15.312  875.744   15.072 19.04688 21.48529 
1 1 1   20    2   21 o  645.191   8.0541  1124.98   28.059  1164.89   40.646  1088.64   38.783  656.103   11.465  634.279   11.315 21.82410 16.10824 
1 1 1   20    2   22 o  737.851   12.770  1473.85   50.914  1473.85   50.914   0.0000   0.0000  737.851   12.770  ?   ?       ?      ? 
1 1 1   20    2   23 o  262.999   6.9840  186.990   9.9254   0.0000   0.0000  186.990   9.9254  ?   ?   262.999   6.9840      ?      ? 
1 1 1   20    2   24 o  729.776   9.0215  1441.30   35.568  1471.62   50.977  1412.55   49.650  737.245   12.796  722.306   12.721 14.93896 18.04310 
1 1 1   20    2   25 o  314.944   5.0016  267.713   8.4363  264.756   11.179  271.624   12.858  312.942   6.6106  316.947   7.5077 -4.005310 10.00323 
1 1 1   20    2   26 o  628.170   11.365  1068.03   38.579   0.0000   0.0000  1068.03   38.579  ?   ?   628.170   11.365      ?      ? 
1 1 1   20    2   27 o  105.655   6.9255   28.267   3.7370   24.745   4.4894   36.214   6.7432   95.644   8.6865  115.667   10.789 -20.02314 13.85105 
1 1 1   20    2   28 o  201.668   8.0215  110.011   8.7414   0.0000   0.0000  110.011   8.7414  ?   ?   201.668   8.0215      ?      ? 
1 1 1   20    2   29 o  726.437   8.9727  1428.68   35.196  1397.31   48.668  1463.08   50.960  718.109   12.542  734.766   12.835 -16.65637 17.94533 
1 1 1   20    2   31 o  585.532   7.4278  928.977   23.502  930.638   33.180  927.303   33.292  586.062   10.477  585.003   10.532 1.059814 14.85567 
1 1 1   20    2   32 o  425.867   5.7848  490.583   13.303  482.440   18.418  499.466   19.236  422.185   8.0734  429.549   8.2872 -7.364319 11.56967 
1 1 1   20    2   33 o  304.484   4.7939  250.575   7.8785  245.675   10.842  256.057   11.468  301.341   6.6584  307.628   6.8988 -6.286285 9.587872 
1 1 1   20    2   34 o  262.436   4.5708  186.407   6.4794  188.166   9.0622  184.567   9.2677  263.709   6.3595  261.162   6.5671 2.546844 9.141661 
1 1 1   20    2   35 o  463.573   6.1787  582.468   15.477  583.251   21.805  581.674   21.971  463.893   8.6987  463.252   8.7771 0.6408386 12.35738 
1 1 1   20    2   36 o  380.103   5.4144  391.432   11.120  395.839   15.716  387.014   15.737  382.252   7.6084  377.954   7.7056 4.298004 10.82884 
1 1 1   20    2   37 o  138.508   5.1368   51.691   3.8298   48.879   5.1484   55.174   5.7306  134.323   7.0930  142.692   7.4321 -8.369141 10.27361 
1 1 1   20    2   38 o   62.834   9.3843   11.751   3.1918   16.853   4.3307   5.6843   4.7224   78.723   10.180   46.946   15.768 31.77653 18.76851 
1 1 1   20    2   39 o  429.012   5.8872  499.410   13.647  508.297   19.453  490.799   19.149  432.771   8.3184  425.254   8.3331 7.517426 11.77437 
1 1 1   20    2   40 o  275.872   4.7309  206.317   7.0485  206.590   9.8089  206.025   10.135  276.076   6.5751  275.668   6.8039 0.4085083 9.461796 
1 1 1   20    2   41 o  109.065   6.0656   32.230   3.5633   30.975   4.8151   33.749   5.2980  106.746   8.3478  111.385   8.8023 -4.639572 12.13118 
1 1 1   20    2   42 o   33.540   9.9501  -0.4122   3.1858  -3.1759   4.3555   2.7674   4.6718   27.657   12.714   39.423   15.309 -11.76650 19.90028 
1 1 1   20    2   43 o  126.278   7.7434   44.798   5.1366   53.243   6.9978   34.932   7.5637  139.754   9.2664  112.802   12.409 26.95116 15.48688 
1 1 1   20    2   44 o  120.868   7.8354   40.744   5.0186   44.820   6.7082   35.563   7.5632  128.061   9.6940  113.675   12.313 14.38512 15.67087 
1 1 1   20    2   45 o  230.003   6.4418  144.862   7.9818  149.167   10.972  140.023   11.633  233.758   8.6860  226.248   9.5154 7.510315 12.88367 
1 1 1   20    2   46 o  188.611   4.9427   96.897   5.0305   98.646   6.9717   94.997   7.2659  190.429   6.7751  186.793   7.1985 3.636841 9.885379 
1 1 1   20    2   47 o  243.183   4.7847  160.995   6.2852  159.473   8.7542  162.615   9.0294  242.017   6.6940  244.349   6.8385 -2.331482 9.569436 
1 1 1   20    2   48 o  166.664   5.1894   75.695   4.6688   73.429   6.4283   78.225   6.7919  164.048   7.2517  169.280   7.4250 -5.232010 10.37872 
1 1 1   20    2   49 o  151.288   6.7683   63.357   5.1415   63.919   6.2347   62.162   9.0898  152.888   7.5466  149.687   11.238 3.201309 13.53657 
1 1 1   20    2   50 o  132.564   9.1208   50.010   6.4195   41.396   9.3391   57.725   8.8387  121.035   14.279  144.094   11.352 -23.05944 18.24160 
1 1 1   20    2   51 o  150.992   8.1576   63.590   6.6063   64.122   9.9797   63.176   8.8139  151.261   12.210  150.723   10.822 0.5382080 16.31521 
1 1 1   20    2   52 o   61.646   11.170   12.413   4.5965  -0.8054   8.0652   18.772   5.5938   41.728   18.385   81.563   12.692 -39.83536 22.34018 
1 1 1   20    2   53 o  122.892   6.5178   41.774   4.3205   38.418   5.9932   45.405   6.2342  117.693   9.4237  128.092   9.0068 -10.39899 13.03570 
1 1 1   20    2   54 o   59.332   11.439   10.526   3.9707   6.1526   5.6036   14.936   5.6273   47.945   17.117   70.720   15.179 -22.77520 22.87818 
1 1 1   20    2   55 o  163.272   5.7419   73.680   5.0651   71.886   7.1165   75.523   7.2108  161.235   8.1680  165.308   8.0723 -4.072754 11.48387 
1 1 1   20    2   56 o   79.812   10.502   19.146   4.3958   22.538   6.2016   15.720   6.2316   88.374   12.986   71.249   16.509 17.12527 21.00456 
1 1 1   20    2   57 o   67.806   12.060   14.503   4.4371   16.322   6.2451   12.648   6.3053   72.479   16.336   63.133   17.745 9.345997 24.11944 
1 1 1   20    2   58 o  153.053   6.6562   65.560   5.5033   64.287   7.6695   66.910   7.9014  151.550   9.3653  154.555   9.4609 -3.005310 13.31233 
1 1 1   20    2   59 o   88.977   10.022   24.147   4.8174   24.168   6.7419   24.124   6.8859   89.144   13.996   88.810   14.349 0.3340912 20.04430 
1 1 1   20    2   60 o  131.806   7.3217   49.869   5.1935   55.408   7.4114   44.525   7.2799  139.374   9.8407  124.237   10.844 15.13675 14.64341 
1 1 1   20    2   61 o  119.660   8.1000   42.413   5.2219   46.425   7.4557   38.551   7.3161  125.641   10.982  113.679   11.910 11.96107 16.20006 
1 1 1   20    3    0 o  538.288   6.8626  783.323   19.955  793.901   28.667  773.380   27.793  541.808   9.7915  534.768   9.6180 7.039368 13.72516 
1 1 1   20    3    1 o  703.437   8.6758  1338.81   32.976  1327.42   46.349  1350.49   46.927  700.408   12.246  706.465   12.293 -6.057678 17.35154 
1 1 1   20    3    2 o  388.723   5.3421  407.937   11.208  419.497   16.326  397.632   15.415  393.922   7.6699  383.525   7.4379 10.39655 10.68410 
1 1 1   20    3    3 o  483.939   7.7390  633.978   19.149  635.001   23.551  631.982   32.896  484.606   8.9936  483.271   12.597 1.334808 15.47793 
1 1 1   20    3    4 o  564.185   7.1405  860.738   21.766  865.976   31.090  855.704   30.482  565.864   10.168  562.505   10.028 3.358582 14.28091 
1 1 1   20    3    5 o  391.266   6.6969  421.744   13.441  388.288   22.446  440.448   16.783  378.887   10.963  403.646   7.6944 -24.75943 13.39390 
1 1 1   20    3    6 o  661.294   8.2200  1182.65   29.369  1165.79   41.109  1200.22   41.973  656.485   11.588  666.103   11.661 -9.618530 16.44005 
1 1 1   20    3    7 o  320.695   4.7745  278.073   8.2711  271.719   11.751  284.311   11.644  317.062   6.8587  324.329   6.6440 -7.267181 9.549006 
1 1 1   20    3    8 o  589.500   9.1023  921.030   26.687  988.964   49.176  892.671   31.773  604.447   15.056  574.553   10.234 29.89374 18.20469 
1 1 1   20    3    9 o  438.409   7.0815  518.672   15.908  516.458   19.579  522.973   27.287  437.090   8.2894  439.729   11.484 -2.638947 14.16294 
1 1 1   20    3   10 o  116.681   5.1892   37.534   3.2019   41.722   4.2752   32.185   4.8321  124.247   6.3677  109.115   8.1953 15.13256 10.37839 
1 1 1   20    3   11 o  852.249   10.371  1965.43   47.757  1944.90   66.976  1986.67   68.115  847.726   14.621  856.772   14.713 -9.046021 20.74209 
1 1 1   20    3   12 o  833.644   10.181  1880.88   45.864  1877.04   64.989  1884.69   64.733  832.792   14.442  834.497   14.355 -1.704529 20.36267 
1 1 1   20    3   13 o  1229.98   14.731  4102.62   97.910  4098.72  138.441  4106.52  138.488  1229.39   20.840  1230.57   20.827 -1.171997 29.46247 
1 1 1   20    3   14 o  406.213   7.9077  446.070   17.358   0.0000   0.0000  446.070   17.358  ?   ?   406.213   7.9077      ?      ? 
1 1 1   20    3   15 o  1389.18   16.612  5238.41  124.680  5188.22  174.586  5290.65  178.116  1382.42   23.371  1395.94   23.613 -13.51074 33.22322 
1 1 1   20    3   16 o  619.345   7.7995  1037.08   26.096  1020.53   36.381  1054.62   37.452  614.261   10.961  624.429   11.099 -10.16785 15.59910 
1 1 1   20    3   17 o  752.867   9.2494  1529.88   37.566  1599.58   55.104  1469.35   51.347  768.831   13.264  736.902   12.895 31.92975 18.49873 
1 1 1   20    3   18 o  242.016   4.3131  158.537   5.5026  159.364   7.0554  157.253   8.7916  242.833   5.3768  241.199   6.7454 1.632996 8.626122 
1 1 1   20    3   19 o  600.075   10.606  974.030   34.391  974.030   34.391   0.0000   0.0000  600.075   10.606  ?   ?       ?      ? 
1 1 1   20    3   20 o  626.074   11.225  1060.55   37.977   0.0000   0.0000  1060.55   37.977  ?   ?   626.074   11.225      ?      ? 
1 1 1   20    3   21 o  201.212   7.0862  109.454   7.7047   0.0000   0.0000  109.454   7.7047  ?   ?   201.212   7.0862      ?      ? 
1 1 1   20    3   22 o  340.672   7.6043  313.783   13.998   0.0000   0.0000  313.783   13.998  ?   ?   340.672   7.6043      ?      ? 
1 1 1   20    3   24 o  477.032   8.6819  615.443   22.380  615.443   22.380   0.0000   0.0000  477.032   8.6819  ?   ?       ?      ? 
1 1 1   20    3   25 o  353.267   5.2767  339.024   10.017  356.729   13.700  318.685   14.684  363.241   6.9798  343.293   7.9155 19.94788 10.55337 
1 1 1   20    3   29 o  438.051   5.8899  519.077   13.940  516.147   19.524  522.124   19.910  436.794   8.2717  439.308   8.3870 -2.514008 11.77975 
1 1 1   20    3   30 o  389.333   5.4389  410.059   11.442  415.693   16.283  404.564   16.081  391.974   7.6874  386.691   7.6960 5.283020 10.87774 
1 1 1   20    3   31 o  267.306   4.5517  193.075   6.5692  204.536   9.4389  182.309   9.1483  274.995   6.3520  259.616   6.5211 15.37900 9.103420 
1 1 1   20    3   32 o  422.547   5.7673  483.297   13.166  482.884   18.456  483.724   18.789  422.371   8.0863  422.724   8.2254 -0.3535156 11.53458 
1 1 1   20    3   33 f  291.374   4.7029  229.438   7.3968  224.307   10.186  235.162   10.759  287.938   6.5467  294.810   6.7535 -6.872162 9.405768 
1 1 1   20    3   34 o  358.211   5.2095  347.403   10.083  348.315   14.172  346.469   14.348  358.693   7.3120  357.730   7.4222 0.9627991 10.41892 
1 1 1   20    3   35 o  330.046   5.0046  294.981   8.9240  300.654   12.603  289.276   12.638  333.237   6.9988  326.855   7.1555 6.381744 10.00922 
1 1 1   20    3   36 o  171.569   4.6674   79.410   4.3017   77.199   5.7448   82.232   6.4904  168.876   6.2953  174.262   6.8926 -5.385208 9.334773 
1 1 1   20    3   37 o  436.848   5.9729  516.999   14.081  505.612   19.342  529.839   20.539  431.769   8.2903  441.927   8.6008 -10.15875 11.94582 
1 1 1   20    3   38 o   88.241   6.8641   21.091   3.2453   20.622   4.2967   21.715   4.9517   87.133   9.1256   89.349   10.256 -2.216278 13.72812 
1 1 1   20    3   39 o  223.968   4.5696  135.710   5.5159  133.366   7.5057  138.463   8.1335  221.887   6.2599  226.049   6.6587 -4.161835 9.139198 
1 1 1   20    3   40 o  144.514   5.7550   56.360   4.4706   60.045   6.7480   53.478   5.9683  148.673   8.3995  140.354   7.8694 8.319504 11.50997 
1 1 1   20    3   41 o  213.960   6.0780  124.190   7.0024  120.901   9.4600  128.176   10.414  210.883   8.3016  217.038   8.8799 -6.155319 12.15603 
1 1 1   20    3   42 f  230.857   6.1523  143.145   7.6048  131.712   9.9697  159.054   11.760  220.039   8.3849  241.675   9.0054 -21.63664 12.30463 
1 1 1   20    3   43 o  188.563   6.2031   96.802   6.2920   96.284   8.4940   97.432   9.3662  188.075   8.3578  189.051   9.1685 -0.9759979 12.40621 
1 1 1   20    3   44 o  142.659   5.3869   55.752   4.1193   59.039   5.5925   51.854   6.0905  147.363   7.0231  137.955   8.1701 9.407944 10.77380 
1 1 1   20    3   45 o   49.164   10.589   6.5560   3.3930   10.335   4.5574   1.8573   5.0822   59.844   14.290   38.484   15.630 21.35993 21.17835 
1 1 1   20    3   46 o   97.787   7.0081   26.590   3.6486   30.256   5.0138   22.463   5.3196  105.203   8.8196   90.371   10.893 14.83244 14.01611 
1 1 1   20    3   47 o  143.367   5.4465   56.041   4.2135   54.785   5.7812   57.464   6.1537  141.685   7.5511  145.049   7.8511 -3.363968 10.89307 
1 1 1   20    3   48 o   56.178   10.995   9.2608   3.5279   11.436   4.8408   6.7964   5.1520   62.623   14.578   49.734   16.464 12.88902 21.99024 
1 1 1   20    3   49 o   66.062   10.467   12.775   3.6411   12.330   5.0249   13.267   5.2833   64.864   14.679   67.260   14.926 -2.396332 20.93460 
1 1 1   20    3   50 o  117.342   6.6504   38.349   4.1699   42.871   5.7447   33.313   6.0624  124.942   8.5089  109.743   10.223 15.19841 13.30073 
1 1 1   20    3   51 o   86.109   12.987   22.298   5.8624   26.081   8.5782   18.982   8.0302   93.395   17.644   78.824   19.062 14.57095 25.97453 
1 1 1   20    3   52 o   65.248   13.792   12.574   5.7672   5.0090   8.2570   19.779   8.0588   50.259   20.094   80.236   18.899 -29.97637 27.58493 
1 1 1   20    3   53 o  171.831   7.1136   83.079   6.1767   79.527   10.705   84.852   7.5627  168.109   11.784  175.554   7.9721 -7.445786 14.22728 
1 1 1   20    3   54 o  154.750   5.9012   65.987   4.9295   62.390   6.8017   69.966   7.1543  150.306   8.3744  159.194   8.3167 -8.887955 11.80242 
1 1 1   20    3   55 f  173.007   5.6496   82.541   5.2767   79.317   7.2742   86.120   7.6660  169.470   7.9434  176.544   8.0358 -7.073181 11.29917 
1 1 1   20    3   56 o  128.155   6.8833   46.203   4.7600   47.793   6.6423   44.525   6.8247  130.584   9.4133  125.727   10.045 4.856644 13.76662 
1 1 1   20    3   57 o  198.331   5.6446  109.204   6.0463  111.109   8.4684  107.224   8.6355  200.196   7.8282  196.466   8.1342 3.730240 11.28915 
1 1 1   20    3   58 o   54.876   13.192   8.8480   4.8793   12.647   6.9040   5.0566   6.8968   62.930   18.834   46.823   18.477 16.10676 26.38446 
1 1 1   20    3   59 o   36.160   11.340  -1.3128   4.6426   3.6765   6.5923  -6.2221   6.5392   42.170   17.532   30.149   14.388 12.02138 22.67981 
1 1 1   20    3   60 o   98.757   9.2956   29.038   4.9379   26.060   6.9699   32.039   6.9968   93.174   13.843  104.341   12.410 -11.16733 18.59127 
1 1 1   20    3   61 o   56.194   12.479   9.9079   5.0177   1.2812   7.0897   18.566   7.1026   39.103   17.232   73.286   18.053 -34.18276 24.95744 
1 1 1   20    4    0 o  276.963   6.1828  207.330   9.2533   0.0000   0.0000  207.330   9.2533  ?   ?   276.963   6.1828      ?      ? 
1 1 1   20    4    1 o  358.711   5.1006  347.594   9.8791  353.462   14.301  342.237   13.663  361.603   7.3189  355.820   7.1062 5.782867 10.20117 
1 1 1   20    4    2 o  567.936   8.8275  876.559   25.710  885.001   31.786  860.586   43.724  572.041   10.283  563.830   14.351 8.210999 17.65493 
1 1 1   20    4    3 o  664.388   8.2601  1194.11   29.655  1188.63   41.888  1199.61   41.988  662.859   11.694  665.917   11.669 -3.057861 16.52021 
1 1 1   20    4    4 o  471.401   7.7244  596.020   18.142  613.964   33.007  588.252   21.717  476.347   12.823  466.454   8.6159 9.893158 15.44881 
1 1 1   20    4    5 o  457.371   6.0625  564.944   14.975  546.888   20.760  584.532   21.622  449.762   8.5418  464.981   8.6053 -15.21948 12.12492 
1 1 1   20    4    6 o  554.179   7.0508  830.469   21.114  825.880   29.849  835.064   29.871  552.646   9.9952  555.713   9.9473 -3.066467 14.10153 
1 1 1   20    4    7 o  510.929   6.5930  705.813   18.202  701.099   25.740  710.529   25.743  509.221   9.3545  512.637   9.2932 -3.415649 13.18598 
1 1 1   20    4    8 o  406.081   10.819  445.946   23.740  445.946   23.740   0.0000   0.0000  406.081   10.819  ?   ?       ?      ? 
1 1 1   20    4    9 o  380.068   6.3787  384.341   12.253  407.883   21.861  373.559   14.795  388.379   10.417  371.757   7.3649 16.62228 12.75737 
1 1 1   20    4   10 o  129.289   7.0250   45.180   4.9079   0.0000   0.0000   45.180   4.9079  ?   ?   129.289   7.0250      ?      ? 
1 1 1   20    4   11 o  515.938   8.1146  714.711   21.349  704.321   26.082  735.811   37.166  510.385   9.4569  521.491   13.189 -11.10547 16.22917 
1 1 1   20    4   12 o  241.529   6.1048  157.665   7.9677   0.0000   0.0000  157.665   7.9677  ?   ?   241.529   6.1048      ?      ? 
1 1 1   20    4   13 o   95.262   5.2440   24.509   2.6979   25.705   3.8741   23.383   3.7592   97.517   7.3519   93.007   7.4798 4.510002 10.48804 
1 1 1   20    4   14 o  894.071   10.870  2164.01   52.514  2145.60   73.779  2182.92   74.764  890.222   15.337  897.921   15.409 -7.699280 21.74074 
1 1 1   20    4   15 o  617.221   7.7883  1029.59   25.963  1005.53   36.032  1055.57   37.444  609.731   10.936  624.711   11.092 -14.97974 15.57652 
1 1 1   20    4   16 o  195.239   4.3557  102.934   4.5932   98.959   6.3947  107.170   6.6017  191.348   6.1845  199.130   6.1353 -7.781311 8.711485 
1 1 1   20    4   18 o  908.497   15.678  2235.45   76.965   0.0000   0.0000  2235.45   76.965  ?   ?   908.497   15.678      ?      ? 
1 1 1   20    4   21 o   81.952   15.337   18.787   6.5422   0.0000   0.0000   18.787   6.5422  ?   ?    81.952   15.337      ?      ? 
1 1 1   20    4   22 o  552.925   10.293  827.057   30.753   0.0000   0.0000  827.057   30.753  ?   ?   552.925   10.293      ?      ? 
1 1 1   20    4   23 o  282.286   7.6172  215.454   11.619   0.0000   0.0000  215.454   11.619  ?   ?   282.286   7.6172      ?      ? 
1 1 1   20    4   24 o  716.345   12.794  1389.55   49.523   0.0000   0.0000  1389.55   49.523  ?   ?   716.345   12.794      ?      ? 
1 1 1   20    4   29 o  335.586   6.4125  310.911   10.761  321.722   13.082  288.288   18.924  344.901   7.0193  326.272   10.734 18.62985 12.82509 
1 1 1   20    4   30 o   98.242   5.1383   25.877   2.7123   22.428   3.6609   30.074   4.0384   91.047   7.4410  105.437   7.0881 -14.39022 10.27666 
1 1 1   20    4   31 o  395.438   5.5073  422.917   11.760  416.416   16.290  429.993   16.995  392.275   7.6852  398.602   7.8904 -6.326447 11.01454 
1 1 1   20    4   32 o  495.018   6.5111  662.235   17.391  689.954   25.449  637.948   23.822  504.699   9.3314  485.337   9.0832 19.36145 13.02228 
1 1 1   20    4   33 o  466.046   6.2176  587.609   15.647  607.973   22.658  569.044   21.634  473.747   8.8508  458.344   8.7349 15.40259 12.43524 
1 1 1   20    4   34 o   76.903   7.2221   16.273   2.9579   18.155   4.0246   14.062   4.3620   81.840   9.1005   71.966   11.217 9.873734 14.44429 
1 1 1   20    4   35 o  266.455   4.6438  192.109   6.6790  190.531   9.2157  193.854   9.6934  265.314   6.4281  267.596   6.7036 -2.282104 9.287541 
1 1 1   20    4   36 o  191.464   4.5840   98.857   4.7237   95.125   6.3544  103.466   7.0621  187.455   6.2732  195.474   6.6858 -8.019501 9.168066 
1 1 1   20    4   37 f  124.243   5.9750   41.691   4.0020   44.977   5.9050   38.898   5.4427  128.750   8.4876  119.737   8.4120 9.012527 11.94996 
1 1 1   20    4   38 o  448.625   8.4316  548.708   20.439  556.531   29.006  540.991   28.806  451.816   11.880  445.434   11.968 6.382294 16.86318 
1 1 1   20    4   39 o  194.614   5.8863  102.241   6.1612   97.252   8.2485  108.536   9.2665  189.303   8.0636  199.926   8.5775 -10.62251 11.77261 
1 1 1   20    4   40 o   72.420   10.317   14.445   3.9575   11.405   5.2905   18.306   5.9632   63.127   15.599   81.713   13.505 -18.58544 20.63319 
1 1 1   20    4   41 o   87.884   8.2452   21.102   3.7000   21.044   4.5418   21.218   6.3798   87.881   9.5642   87.887   13.434 -0.5554199E-02 16.49047 
1 1 1   20    4   42 o  157.138   5.2467   67.937   4.3974   76.676   6.0453   58.117   6.4084  168.091   6.6555  146.186   8.1125 21.90576 10.49330 
1 1 1   20    4   43 o  285.997   4.8947  222.257   7.5600  231.047   10.692  213.469   10.691  291.684   6.7838  280.310   7.0579 11.37421 9.789459 
1 1 1   20    4   44 o  134.500   5.5377   48.971   4.0049   46.449   5.3542   52.175   6.0342  130.625   7.5854  138.375   8.0701 -7.749359 11.07545 
1 1 1   20    4   45 o  158.017   5.2410   67.790   4.4543   66.039   5.9835   69.968   6.6711  155.783   7.1080  160.251   7.7039 -4.467911 10.48205 
1 1 1   20    4   46 o  209.146   4.8733  119.208   5.4977  127.297   7.7707  111.102   7.7791  216.312   6.6480  201.980   7.1274 14.33130 9.746593 
1 1 1   20    4   47 o  174.801   5.0840   83.500   4.7902   86.369   6.6197   80.346   6.9405  178.028   6.8811  171.574   7.4860 6.453827 10.16809 
1 1 1   20    4   48 o  198.860   4.9373  108.026   5.2966  111.908   7.3713  103.883   7.6156  202.625   6.7323  195.096   7.2239 7.529205 9.874657 
1 1 1   20    4   49 o  157.324   5.4144   67.668   4.5968   66.450   6.3175   69.039   6.7013  155.861   7.5010  158.786   7.8101 -2.925217 10.82880 
1 1 1   20    4   50 o  145.616   5.7155   58.057   4.4896   56.539   6.1414   59.799   6.5798  143.620   7.9134  147.611   8.2491 -3.990921 11.43107 
1 1 1   20    4   51 o   76.414   9.9565   17.198   3.9458   19.381   5.2941   14.469   5.9184   83.206   11.775   69.622   16.059 13.58399 19.91310 
1 1 1   20    4   52 o  221.620   7.6208  136.803   9.1146  143.311   13.311  131.059   12.507  226.506   10.875  216.734   10.679 9.771881 15.24165 
1 1 1   20    4   53 o   53.820   14.415   5.7822   6.3435   12.782   8.7617  -1.9284   9.1962   64.666   21.473   42.973   19.239 21.69315 28.83070 
1 1 1   20    4   54 o   45.578   13.075   1.7893   4.9508   8.6149   8.5317  -1.6758   6.0790   56.203   20.954   34.953   15.645 21.24941 26.15051 
1 1 1   20    4   55 o  102.406   8.2855   30.067   4.5205   34.077   6.2286   25.603   6.5712  110.193   10.460   94.620   12.852 15.57307 16.57100 
1 1 1   20    4   56 o   86.253   9.7920   21.798   4.5561   21.769   6.2683   21.830   6.6339   86.394   13.427   86.112   14.257 0.2810364 19.58405 
1 1 1   20    4   57 o  136.750   7.1882   52.967   5.2803   56.305   7.2539   49.204   7.7010  141.730   9.4715  131.770   10.815 9.960220 14.37649 
1 1 1   20    4   58 o  186.134   6.0520   96.644   6.0820   96.416   8.4278   96.891   8.7860  186.024   8.3841  186.245   8.7301 -0.2205048 12.10406 
1 1 1   20    4   59 o   95.095   10.202   28.306   5.0321   32.492   7.0056   23.845   7.2327  104.347   12.424   85.843   16.186 18.50445 20.40471 
1 1 1   20    4   60 o  219.146   5.8033  135.092   6.8675  139.669   9.6674  130.431   9.7574  223.088   8.0195  215.204   8.3906 7.883286 11.60664 
1 1 1   20    5    0 f  414.518   6.9158  456.419   14.502  442.022   17.512  487.838   25.869  404.359   8.0145  424.678   11.273 -20.31934 13.83151 
1 1 1   20    5    1 o  877.382   13.194  2054.86   57.732  2006.48   68.998  2167.79  105.422  860.922   14.831  893.842   21.827 -32.91949 26.38879 
1 1 1   20    5    2 o  419.511   7.0507  474.712   15.077  472.325   18.453  479.504   26.150  417.989   8.1699  421.033   11.494 -3.044281 14.10150 
1 1 1   20    5    3 o  357.800   6.5517  334.083   11.261  372.522   22.188  320.747   13.069  371.124   11.064  344.477   7.0209 26.64658 13.10343 
1 1 1   20    5    4 o  590.466   9.2482  940.942   27.520  950.000   48.789  936.716   33.328  592.393   15.241  588.539   10.480 3.854675 18.49644 
1 1 1   20    5    5 f  264.654   6.1618  189.300   8.8120   0.0000   0.0000  189.300   8.8120  ?   ?   264.654   6.1618      ?      ? 
1 1 1   20    5    8 o  887.471   15.214  2131.80   72.962   0.0000   0.0000  2131.80   72.962  ?   ?   887.471   15.214      ?      ? 
1 1 1   20    5    9 o  168.454   4.7730   75.492   4.1729   80.946   7.0590   72.562   5.1736  173.050   7.5489  163.858   5.8431 9.191956 9.546072 
1 1 1   20    5   10 o  1049.63   15.486  2981.39   82.598  3009.01  144.062  2967.87  100.814  1052.55   25.329  1046.71   17.824 5.834839 30.97202 
1 1 1   20    5   11 o  975.755   14.479  2561.68   71.331  2526.46   86.343  2637.39  126.590  965.877   16.543  985.634   23.768 -19.75787 28.95866 
1 1 1   20    5   12 o  935.203   13.967  2329.82   65.101  2267.09   77.708  2477.48  119.225  915.039   15.716  955.368   23.094 -40.32922 27.93462 
1 1 1   20    5   13 o  537.438   6.9656  781.026   20.226  782.795   28.878  779.323   28.337  538.031   9.9328  536.844   9.7683 1.187134 13.93128 
1 1 1   20    5   14 o  491.455   6.5133  653.044   17.297  646.693   24.409  659.451   24.515  489.054   9.2363  493.856   9.1862 -4.802521 13.02669 
1 1 1   20    5   15 o  297.917   6.6840  239.895   10.760   0.0000   0.0000  239.895   10.760  ?   ?   297.917   6.6840      ?      ? 
1 1 1   20    5   16 o  711.883   11.042  1344.64   38.958  1304.88   46.273  1441.44   72.197  694.471   12.331  729.295   18.320 -34.82373 22.08331 
1 1 1   20    5   18 o  439.631   8.8289  522.628   20.974   0.0000   0.0000  522.628   20.974  ?   ?   439.631   8.8289      ?      ? 
1 1 1   20    5   19 o  701.953   12.491  1333.71   47.381   0.0000   0.0000  1333.71   47.381  ?   ?   701.953   12.491      ?      ? 
1 1 1   20    5   21 o  247.027   7.7862  164.991   10.393   0.0000   0.0000  164.991   10.393  ?   ?   247.027   7.7862      ?      ? 
1 1 1   20    5   27 o  272.126   8.2375  200.324   12.113   0.0000   0.0000  200.324   12.113  ?   ?   272.126   8.2375      ?      ? 
1 1 1   20    5   28 o  144.298   11.448   56.395   8.9266   0.0000   0.0000   56.395   8.9266  ?   ?   144.298   11.448      ?      ? 
1 1 1   20    5   29 o  308.574   7.5275  258.010   12.546  266.667   17.728  249.324   17.757  313.775   10.456  303.373   10.832 10.40198 15.05495 
1 1 1   20    5   30 o  474.091   6.2858  608.091   16.096  622.672   23.189  594.533   22.360  479.565   8.9484  468.616   8.8300 10.94824 12.57154 
1 1 1   20    5   31 o  542.486   6.9963  797.068   20.505  808.747   29.329  785.901   28.680  546.366   9.9342  538.606   9.8541 7.760559 13.99250 
1 1 1   20    5   32 o  484.958   6.4155  635.634   16.790  663.818   24.530  610.792   23.030  495.037   9.1701  474.879   8.9746 20.15762 12.83105 
1 1 1   20    5   33 o   68.634   8.2805   13.728   2.8604   18.536   3.9461   8.4052   4.1521   82.712   8.8289   54.556   14.011 28.15614 16.56091 
1 1 1   20    5   34 o  196.880   5.0299  104.713   5.2888  106.464   8.1550  103.442   6.9481  198.268   7.6118  195.493   6.5773 2.774460 10.05979 
1 1 1   20    5   35 o  228.693   5.6905  141.649   7.0261  139.910   9.7115  143.559   10.178  227.233   7.9091  230.154   8.1837 -2.920547 11.38098 
1 1 1   20    5   36 o  457.685   8.5051  569.884   21.026  584.910   30.259  555.856   29.238  463.499   12.082  451.871   11.974 11.62766 17.01015 
1 1 1   20    5   37 o  229.546   5.8056  142.826   7.1904  140.586   9.8685  145.360   10.498  227.651   8.0222  231.441   8.3944 -3.789627 11.61126 
1 1 1   20    5   38 o  165.527   5.4093   75.135   4.6386   77.367   5.8358   71.306   7.6445  168.997   6.3905  162.059   8.7295 6.937897 10.81859 
1 1 1   20    5   39 o  318.881   5.0388  275.232   8.6734  292.686   12.559  259.319   11.992  328.536   7.0746  309.226   7.1769 19.31046 10.07759 
1 1 1   20    5   40 o  283.520   4.8477  218.026   7.4221  217.179   10.303  218.941   10.701  282.966   6.7384  284.073   6.9710 -1.106659 9.695414 
1 1 1   20    5   41 o  246.677   4.7296  165.210   6.2948  167.164   8.6960  163.058   9.1237  248.243   6.4827  245.112   6.8884 3.131073 9.459132 
1 1 1   20    5   42 o  204.834   4.7197  113.478   5.1972  110.146   6.9611  117.675   7.8121  201.487   6.3935  208.181   6.9445 -6.694534 9.439430 
1 1 1   20    5   43 o  236.112   4.7509  151.661   6.0516  157.544   8.4363  145.425   8.6858  240.880   6.4813  231.344   6.9480 9.535049 9.501707 
1 1 1   20    5   44 o   94.147   7.2707   25.087   3.5733   29.084   4.7568   19.909   5.4135  103.247   8.5260   85.047   11.780 18.19975 14.54149 
1 1 1   20    5   45 o  262.954   4.8516  188.194   6.8901  193.495   9.6901  182.775   9.7990  266.736   6.7229  259.172   6.9969 7.564575 9.703266 
1 1 1   20    5   46 o  131.977   5.8451   48.090   4.1172   51.841   5.5536   43.513   6.1350  137.889   7.4535  126.065   9.0060 11.82385 11.69023 
1 1 1   20    5   47 o   87.662   7.8591   20.941   3.6946   18.816   4.8745   23.810   5.6640   82.541   10.929   92.783   11.297 -10.24126 15.71816 
1 1 1   20    5   48 o   72.436   9.4823   14.729   3.5755   9.9188   4.7780   20.851   5.3901   58.184   15.075   86.689   11.507 -28.50468 18.96466 
1 1 1   20    5   49 o  237.102   4.9458  153.789   6.3262  161.074   8.8540  146.191   9.0423  242.937   6.7446  231.266   7.2357 11.67084 9.891647 
1 1 1   20    5   50 o  108.695   6.9597   32.648   4.0617   32.507   5.4425   32.825   6.1023  108.569   9.2769  108.822   10.377 -0.2529221 13.91948 
1 1 1   20    5   51 o   81.224   9.2012   18.458   3.9166   15.819   5.1301   22.146   6.0641   73.790   13.358   88.659   12.658 -14.86875 18.40231 
1 1 1   20    5   52 o   97.110   10.114   23.737   4.7169   20.335   5.3952   34.775   9.7175   85.046   11.740  109.175   16.472 -24.12839 20.22745 
1 1 1   20    5   53 o  105.995   11.873   32.841   6.7907   31.757   9.3065   34.077   9.9310  104.259   16.519  107.730   17.060 -3.471817 23.74669 
1 1 1   20    5   54 o  148.848   9.6101   62.979   7.6861   55.293   10.311   72.590   11.530  138.621   13.765  159.076   13.414 -20.45448 19.22016 
1 1 1   20    5   55 o   65.836   13.530   14.576   5.4355   7.0203   9.4156   18.353   6.6568   54.159   21.520   77.514   16.404 -23.35580 27.05958 
1 1 1   20    5   56 o   62.337   12.611   12.417   4.4505   12.714   5.9362   12.036   6.7253   63.437   16.981   61.237   18.648 2.199360 25.22106 
1 1 1   20    5   57 o  149.207   6.9080   63.234   5.4939   69.263   7.4477   56.037   8.1371  157.661   8.7419  140.752   10.699 16.90909 13.81596 
1 1 1   20    5   58 o   50.107   18.420   7.3156   6.5497   7.3156   6.5497   0.0000   0.0000   50.107   18.420  ?   ?       ?      ? 
1 1 1   20    5   59 o   53.706   13.316   9.4050   4.9769   12.374   6.7302   5.8218   7.3931   60.278   18.707   47.134   18.954 13.14375 26.63113 
1 1 1   20    5   60 o   71.821   13.101   17.710   5.1343   19.135   7.1850   16.222   7.3395   75.392   17.903   68.249   19.131 7.143784 26.20171 
1 1 1   20    6    0 o  123.467   9.1829   41.216   6.1266   41.216   6.1266   0.0000   0.0000  123.467   9.1829  ?   ?       ?      ? 
1 1 1   20    6    1 o  229.352   8.5070  142.207   10.543  142.207   10.543   0.0000   0.0000  229.352   8.5070  ?   ?       ?      ? 
1 1 1   20    6    2 o  254.185   8.2880  174.662   11.384   0.0000   0.0000  174.662   11.384  ?   ?   254.185   8.2880      ?      ? 
1 1 1   20    6    3 f  774.051   18.890  1623.42   79.010   0.0000   0.0000  1623.42   79.010  ?   ?   774.051   18.890      ?      ? 
1 1 1   20    6    4 o  534.958   13.548  774.324   39.163   0.0000   0.0000  774.324   39.163  ?   ?   534.958   13.548      ?      ? 
1 1 1   20    6    5 o  607.602   7.6897  997.231   25.229  969.476   34.875  1027.70   36.542  598.747   10.779  616.456   10.970 -17.70862 15.37936 
1 1 1   20    6    6 f  385.688   5.4870  401.987   11.429  405.182   16.484  399.029   15.859  387.161   7.8791  384.216   7.6388 2.945435 10.97410 
1 1 1   20    6    7 o  669.108   8.3643  1210.86   30.241  1199.22   42.537  1222.75   43.001  665.859   11.822  672.358   11.836 -6.498535 16.72858 
1 1 1   20    6    8 f  875.104   10.678  2072.06   50.478  2037.93   70.398  2108.18   72.419  867.698   15.014  882.510   15.186 -14.81122 21.35521 
1 1 1   20    6    9 f  538.740   6.9840  784.858   20.331  780.736   28.855  788.922   28.650  537.333   9.9377  540.148   9.8157 -2.815002 13.96807 
1 1 1   20    6   10 o  415.557   6.7944  475.258   14.909  421.171   22.897  515.067   19.644  394.625   10.738  436.489   8.3283 -41.86374 13.58881 
1 1 1   20    6   11 o  605.977   7.7062  993.174   25.234  987.048   35.692  999.296   35.680  604.107   10.934  607.847   10.863 -3.740417 15.41241 
1 1 1   20    6   12 o  713.851   10.775  1378.36   39.427  1375.68   48.576  1383.56   67.496  713.060   12.607  714.642   17.478 -1.581299 21.55051 
1 1 1   20    6   13 o  983.618   11.952  2618.50   63.489  2562.16   87.966  2679.76   91.725  972.607   16.738  994.630   17.066 -22.02234 23.90407 
1 1 1   20    6   14 o  492.369   6.5455  652.144   17.363  613.282   23.471  699.118   25.805  476.256   9.1201  508.482   9.3915 -32.22653 13.09108 
1 1 1   20    6   15 o  797.751   9.8481  1721.64   42.440  1687.69   59.123  1757.72   60.957  789.651   13.856  805.852   13.999 -16.20172 19.69630 
1 1 1   20    6   17 o  565.447   10.551  864.871   32.239   0.0000   0.0000  864.871   32.239  ?   ?   565.447   10.551      ?      ? 
1 1 1   20    6   19 f  736.482   13.098  1468.55   52.127   0.0000   0.0000  1468.55   52.127  ?   ?   736.482   13.098      ?      ? 
1 1 1   20    6   24 o  775.133   13.803  1627.61   57.815   0.0000   0.0000  1627.61   57.815  ?   ?   775.133   13.803      ?      ? 
1 1 1   20    6   27 o  406.289   8.9636  446.645   19.679   0.0000   0.0000  446.645   19.679  ?   ?   406.289   8.9636      ?      ? 
1 1 1   20    6   28 o  290.984   8.6465  229.123   13.596   0.0000   0.0000  229.123   13.596  ?   ?   290.984   8.6465      ?      ? 
1 1 1   20    6   29 o  501.567   13.639  682.883   36.967   0.0000   0.0000  682.883   36.967  ?   ?   501.567   13.639      ?      ? 
1 1 1   20    6   30 o  161.349   13.782   70.698   12.017   0.0000   0.0000   70.698   12.017  ?   ?   161.349   13.782      ?      ? 
1 1 1   20    6   31 o  203.794   5.2400  110.269   5.7098  127.725   8.8960   98.041   7.4459  217.243   7.5781  190.346   7.2391 26.89783 10.48007 
1 1 1   20    6   32 o  402.203   7.6301  438.161   16.566  451.351   24.103  426.351   22.806  407.911   10.935  396.495   10.644 11.41666 15.26027 
1 1 1   20    6   33 f  258.670   5.8718  181.158   8.2044  174.617   11.458  188.040   11.754  253.877   8.3518  263.463   8.2559 -9.585724 11.74357 
1 1 1   20    6   34 o  127.235   6.6666   41.203   4.1408   75.068   6.7770   21.029   5.2307  166.479   7.5334   87.991   11.001 78.48801 13.33327 
1 1 1   20    6   35 o  628.333   7.9817  1073.28   27.098  1069.43   38.038  1077.25   38.613  627.211   11.223  629.455   11.352 -2.244080 15.96331 
1 1 1   20    6   36 o  138.704   5.1293   52.157   3.8325   57.647   5.4810   46.904   5.3611  145.867   6.9537  131.542   7.5422 14.32434 10.25857 
1 1 1   20    6   37 o  261.175   4.7152  184.403   6.6462  197.316   9.6479  172.741   9.1686  269.863   6.6161  252.488   6.7201 17.37462 9.430367 
1 1 1   20    6   38 o  234.467   4.5982  149.022   5.8217  151.080   8.1170  146.843   8.3545  236.149   6.3610  232.786   6.6417 3.363541 9.196375 
1 1 1   20    6   39 o  343.574   5.2404  320.293   9.7280  326.997   13.807  313.685   13.708  347.154   7.3603  339.994   7.4614 7.159515 10.48082 
1 1 1   20    6   40 o  448.664   8.7617  547.675   21.242   0.0000   0.0000  547.675   21.242  ?   ?   448.664   8.7617      ?      ? 
1 1 1   20    6   41 o  298.232   4.9726  241.547   8.0110  247.139   11.285  235.868   11.374  301.734   6.9215  294.729   7.1415 7.005127 9.945266 
1 1 1   20    6   42 o  114.336   9.0348   35.630   5.5820   0.0000   0.0000   35.630   5.5820  ?   ?   114.336   9.0348      ?      ? 
1 1 1   20    6   43 o  157.449   5.1602   67.852   4.3599   72.334   5.9611   62.696   6.3933  163.150   6.7616  151.748   7.7967 11.40231 10.32031 
1 1 1   20    6   44 o  261.034   4.8380  185.514   6.8141  190.258   9.4618  180.402   9.8214  264.560   6.6185  257.509   7.0582 7.050476 9.675901 
1 1 1   20    6   45 o  276.446   4.9288  207.870   7.3496  205.920   10.077  210.086   10.743  275.117   6.7781  277.776   7.1575 -2.659027 9.857579 
1 1 1   20    6   46 o   55.951   10.953   9.2871   3.4975   11.232   4.5945   6.6067   5.3935   62.254   13.998   49.648   16.850 12.60597 21.90550 
1 1 1   20    6   47 o   51.203   11.421   7.4228   3.5261   7.8258   4.6968   6.9023   5.3376   52.178   15.516   50.227   16.764 1.950817 22.84225 
1 1 1   20    6   48 f  190.591   5.0132   99.119   5.1510   98.006   7.0309  100.409   7.5680  189.500   6.8661  191.682   7.3065 -2.182251 10.02639 
1 1 1   20    6   49 o   84.810   9.0534   21.119   3.8849   25.527   5.2618   15.837   5.7603   96.092   10.133   73.529   15.006 22.56380 18.10680 
1 1 1   20    6   50 o  325.168   5.3161  289.663   9.3378  287.231   13.014  292.244   13.406  323.810   7.4378  326.526   7.5977 -2.715942 10.63229 
1 1 1   20    6   51 o   42.085   11.458   2.3705   3.8407  -1.0197   4.9689   7.4021   6.0535   32.552   14.382   51.618   17.841 -19.06642 22.91600 
1 1 1   20    6   52 o  138.448   6.2830   52.941   4.6504   52.531   6.1374   53.493   7.1264  138.047   8.2274  138.848   9.4982 -0.8003540 12.56609 
1 1 1   20    6   53 o  155.749   7.7366   66.738   5.6936   65.460   6.5905   70.495   11.305  154.180   7.9105  157.316   13.298 -3.136017 15.47324 
1 1 1   20    6   54 o   88.190   13.972   25.515   6.9077   36.014   9.4653   13.552   10.104  110.688   15.825   65.693   23.030 44.99506 27.94333 
1 1 1   20    6   55 o  113.658   12.502   39.921   7.3887   44.122   10.125   35.135   10.807  122.202   15.333  105.115   19.751 17.08733 25.00414 
1 1 1   20    6   56 o   36.151   11.339  -0.7488   4.3675  -1.2122   5.7841  -0.1341   6.6615   34.233   15.296   38.068   16.742 -3.835594 22.67798 
1 1 1   20    6   57 o  157.250   6.7331   67.973   5.6647   59.801   7.4101   79.465   8.7871  146.175   9.3813  168.325   9.6607 -22.15067 13.46617 
1 1 1   20    6   58 o   33.347   10.872  -3.2392   4.6448  -0.4179   6.1197  -7.0729   7.1337   35.435   15.791   31.258   14.948 4.177067 21.74370 
1 1 1   20    6   59 o   65.890   13.038   14.664   4.8356   15.687   6.4209   13.324   7.3501   69.271   17.226   62.510   19.575 6.760769 26.07504 
1 1 1   20    6   60 o   75.829   12.210   19.020   4.9353   14.113   6.6035   25.230   7.4283   63.715   18.247   87.942   16.230 -24.22745 24.42064 
1 1 1   20    7    0 o  884.587   21.603  2121.85  103.260   0.0000   0.0000  2121.85  103.260  ?   ?   884.587   21.603      ?      ? 
1 1 1   20    7    1 o  645.397   10.196  1074.23   31.433  1241.22   62.966  1018.80   36.276  677.011   17.212  613.783   10.937 63.22882 20.39281 
1 1 1   20    7    2 f  324.651   7.0203  284.876   12.316   0.0000   0.0000  284.876   12.316  ?   ?   324.651   7.0203      ?      ? 
1 1 1   20    7    3 o  490.628   9.0182  649.900   23.881  625.000   32.817  677.928   34.817  480.664   12.635  500.591   12.871 -19.92722 18.03646 
1 1 1   20    7    4 o  424.381   8.0547  486.418   18.458  468.468   25.529  506.081   26.719  416.190   11.351  432.572   11.431 -16.38205 16.10945 
1 1 1   20    7    5 o  437.825   8.2298  518.122   19.464  503.829   27.108  533.333   27.964  431.597   11.623  444.053   11.654 -12.45624 16.45955 
1 1 1   20    7    6 o  103.220   6.9927   29.554   3.7967   24.459   5.7411   33.514   5.0617   95.098   11.172  111.341   8.4130 -16.24279 13.98549 
1 1 1   20    7    7 o  897.173   15.380  2183.21   74.554  2197.30  106.333  2169.59  104.560  900.000   21.864  894.346   21.636 5.654114 30.75973 
1 1 1   20    7    8 o  203.825   5.6562  112.577   6.2136  107.320   8.9786  117.410   8.6080  199.242   8.3395  208.408   7.6436 -9.165848 11.31244 
1 1 1   20    7    9 o  744.119   11.257  1484.67   42.355  1458.51   51.287  1540.77   75.110  734.192   12.927  754.045   18.434 -19.85266 22.51486 
1 1 1   20    7   10 o   57.089   9.1065   10.022   2.9708   3.0435   4.7011   14.662   3.8332   40.542   15.457   73.637   9.6334 -33.09418 18.21301 
1 1 1   20    7   11 o  336.801   6.7545  306.431   12.279  312.613   17.870  300.901   16.900  340.011   9.7260  333.591   9.3754 6.420044 13.50898 
1 1 1   20    7   12 o  226.521   5.1692  137.387   6.2729  129.351   8.2533  148.378   9.6526  218.757   6.9820  234.285   7.6245 -15.52820 10.33837 
1 1 1   20    7   13 o  453.359   7.4360  542.849   17.128  519.303   20.718  593.694   30.444  438.260   8.7483  468.457   12.027 -30.19727 14.87197 
1 1 1   20    7   14 f  407.804   8.1039  449.601   17.858   0.0000   0.0000  449.601   17.858  ?   ?   407.804   8.1039      ?      ? 
1 1 1   20    7   15 o  747.560   9.3351  1511.34   37.691  1477.26   52.290  1548.20   54.376  738.804   13.098  756.316   13.305 -17.51294 18.67028 
1 1 1   20    7   16 o  839.029   12.504  1910.50   53.637  1901.80   92.098  1914.96   65.981  837.125   20.360  840.932   14.520 -3.806091 25.00711 
1 1 1   20    7   17 o  833.955   11.876  1882.16   53.518   0.0000   0.0000  1882.16   53.518  ?   ?   833.955   11.876      ?      ? 
1 1 1   20    7   18 o  785.450   13.869  1670.75   58.866   0.0000   0.0000  1670.75   58.866  ?   ?   785.450   13.869      ?      ? 
1 1 1   20    7   20 o  534.211   10.298  772.032   29.727   0.0000   0.0000  772.032   29.727  ?   ?   534.211   10.298      ?      ? 
1 1 1   20    7   21 o  178.121   11.860   85.878   11.416   0.0000   0.0000   85.878   11.416  ?   ?   178.121   11.860      ?      ? 
1 1 1   20    7   22 o  481.846   13.317  628.829   34.673   0.0000   0.0000  628.829   34.673  ?   ?   481.846   13.317      ?      ? 
1 1 1   20    7   23 o  795.585   19.829  1719.37   85.248   0.0000   0.0000  1719.37   85.248  ?   ?   795.585   19.829      ?      ? 
1 1 1   20    7   30 o   43.252   19.045  -2.3941   8.6419  -2.3941   8.6419   0.0000   0.0000   43.252   19.045  ?   ?       ?      ? 
1 1 1   20    7   31 f  207.714   4.4804  116.731   5.0271  116.182   7.1965  117.255   7.0254  207.233   6.4265  208.194   6.2447 -0.9618530 8.960852 
1 1 1   20    7   32 o  242.738   6.3740  159.437   8.3606   0.0000   0.0000  159.437   8.3606  ?   ?   242.738   6.3740      ?      ? 
1 1 1   20    7   33 o  298.046   6.8265  240.478   10.994   0.0000   0.0000  240.478   10.994  ?   ?   298.046   6.8265      ?      ? 
1 1 1   20    7   34 o  546.881   10.070  811.880   29.759   0.0000   0.0000  811.880   29.759  ?   ?   546.881   10.070      ?      ? 
1 1 1   20    7   35 o  307.429   5.0139  255.753   8.3223  262.908   12.073  249.274   11.488  311.512   7.1722  303.347   7.0083 8.165436 10.02781 
1 1 1   20    7   36 o  430.302   8.4516  502.518   19.652   0.0000   0.0000  502.518   19.652  ?   ?   430.302   8.4516      ?      ? 
1 1 1   20    7   37 o  386.538   7.9000  405.310   16.501   0.0000   0.0000  405.310   16.501  ?   ?   386.538   7.9000      ?      ? 
1 1 1   20    7   38 o  113.708   5.9082   35.131   3.6277   33.715   5.1420   36.534   5.1187  111.413   8.5410  116.003   8.1658 -4.590263 11.81647 
1 1 1   20    7   39 o  121.892   5.7148   40.379   3.7618   40.728   5.2418   40.008   5.4016  122.448   7.9221  121.335   8.2386 1.113358 11.42952 
1 1 1   20    7   40 o  192.779   6.8257  100.854   7.1105   0.0000   0.0000  100.854   7.1105  ?   ?   192.779   6.8257      ?      ? 
1 1 1   20    7   41 o  455.613   6.2336  565.006   15.342  577.709   22.026  553.032   21.384  460.571   8.8500  450.655   8.7811 9.916168 12.46721 
1 1 1   20    7   42 o  250.518   4.8310  170.497   6.5319  170.735   9.0219  170.234   9.4693  250.736   6.6588  250.301   7.0011 0.4354858 9.662034 
1 1 1   20    7   43 o  318.360   5.1186  275.794   8.8043  281.164   12.447  270.416   12.456  321.485   7.1648  315.236   7.3120 6.249298 10.23724 
1 1 1   20    7   44 o  293.162   4.9831  233.896   7.8914  241.156   11.182  226.692   11.139  297.723   6.9503  288.601   7.1426 9.122284 9.966104 
1 1 1   20    7   45 o  170.901   5.1354   79.522   4.7357   78.490   6.5063   80.686   6.9061  169.755   7.0929  172.047   7.4285 -2.291977 10.27090 
1 1 1   20    7   46 o  177.226   5.1383   85.778   4.9134   87.713   6.8140   83.682   7.0916  179.365   7.0303  175.087   7.4956 4.278091 10.27662 
1 1 1   20    7   47 f  264.448   4.9800  190.917   7.1110  198.817   10.036  182.952   10.077  270.004   6.8787  258.891   7.2032 11.11276 9.960064 
1 1 1   20    7   48 f   63.308   10.790   11.903   3.6551   13.125   4.9841   10.480   5.3763   67.063   14.196   59.552   16.253 7.510300 21.57977 
1 1 1   20    7   49 o   49.789   11.678   6.8580   3.6619   6.1106   4.9895   7.7307   5.3913   47.480   16.206   52.098   16.818 -4.618034 23.35537 
1 1 1   20    7   50 o  242.816   5.0555  161.506   6.6289  163.754   9.2484  159.131   9.5062  244.623   6.9965  241.010   7.2993 3.613235 10.11098 
1 1 1   20    7   51 o  169.261   5.5529   78.958   5.0482   80.557   6.8192   77.018   7.5090  171.339   7.3653  167.182   8.3120 4.157547 11.10573 
1 1 1   20    7   52 o   81.909   9.5292   19.593   4.0487   21.275   5.4400   17.505   6.0618   87.023   11.568   76.795   15.146 10.22852 19.05845 
1 1 1   20    7   53 o   57.364   12.245   9.9635   4.1035   9.8410   5.5688   10.109   6.0700   57.004   16.882   57.724   17.742 -0.7202721 24.49034 
1 1 1   20    7   54 o  148.981   9.9407   64.849   7.8905   74.009   10.932   54.887   11.400  161.070   12.560  136.893   15.411 24.17738 19.88148 
1 1 1   20    7   55 o   44.608   14.141  -0.7735   7.0754   1.1408   9.4437  -3.2230   10.683   45.608   19.999   43.607   19.997 2.000771 28.28144 
1 1 1   20    7   56 o  197.600   7.6414  109.451   7.6668  114.234   13.440  107.144   9.3344  199.224   12.485  195.976   8.8145 3.247864 15.28283 
1 1 1   20    7   57 o   34.683   11.160  -2.5989   4.6241  -0.7444   6.1491  -5.0125   7.0151   35.900   15.923   33.466   15.641 2.434101 22.31985 
1 1 1   20    7   58 o  100.842   9.4101   31.170   5.0222   33.835   6.7061   27.765   7.5785  107.130   11.584   94.554   14.832 12.57608 18.82013 
1 1 1   20    7   59 o  110.289   8.8978   36.645   5.1641   42.050   6.9859   30.131   7.6681  120.745   10.707   99.832   14.214 20.91315 17.79562 
1 1 1   20    7   60 o  152.044   6.8525   67.038   5.6049   69.649   7.6863   64.073   8.1907  155.775   9.1313  148.314   10.220 7.460876 13.70506 
1 1 1   20    8    0 o  833.957   10.247  1881.69   46.160  1901.72   66.317  1862.87   64.291  838.246   14.641  829.668   14.340 8.578369 20.49377 
1 1 1   20    8    1 o  290.899   6.4723  230.643   9.1214  224.595   17.165  233.024   10.767  288.175   11.023  293.623   6.7863 -5.447510 12.94458 
1 1 1   20    8    2 o  480.823   6.4673  624.846   16.800  610.082   23.516  640.236   24.010  475.024   9.1615  486.623   9.1307 -11.59891 12.93452 
1 1 1   20    8    3 f  322.516   5.1795  281.311   9.0217  274.508   12.866  287.894   12.654  318.674   7.4713  326.358   7.1755 -7.683228 10.35896 
1 1 1   20    8    4 o  471.848   6.3849  601.971   16.278  592.956   23.003  611.016   23.040  468.307   9.0899  475.389   8.9689 -7.082703 12.76986 
1 1 1   20    8    6 o  320.124   5.1349  277.219   8.8656  273.385   12.895  280.655   12.209  318.019   7.5039  322.229   7.0115 -4.210724 10.26986 
1 1 1   20    8    7 o  477.559   7.7755  610.616   18.822  634.685   33.233  599.250   22.837  484.333   12.698  470.785   8.9770 13.54855 15.55092 
1 1 1   20    8    8 o  666.354   10.193  1199.03   34.589  1210.36   60.082  1193.42   42.303  668.501   16.632  664.206   11.786 4.294983 20.38510 
1 1 1   20    8    9 o  511.586   9.2885  707.589   25.665  688.739   35.626  727.928   37.005  504.512   13.068  518.659   13.204 -14.14667 18.57692 
1 1 1   20    8   10 o  865.288   14.858  2030.65   69.465  2043.24   99.049  2018.47   97.448  867.910   21.120  862.667   20.905 5.243469 29.71605 
1 1 1   20    8   11 o  447.420   8.3154  541.493   20.103  534.910   28.301  548.198   28.561  444.674   11.778  450.165   11.741 -5.491211 16.63078 
1 1 1   20    8   12 o  789.679   13.624  1690.26   58.129  1670.95   81.400  1710.36   83.037  785.087   19.188  794.270   19.347 -9.182983 27.24839 
1 1 1   20    8   13 o  547.207   9.7920  808.917   28.916  780.405   39.677  841.216   42.230  536.956   13.675  557.458   14.019 -20.50226 19.58395 
1 1 1   20    8   14 o  521.525   9.3771  734.935   26.389  759.009   38.565  713.739   36.187  529.527   13.478  513.523   13.041 16.00372 18.75417 
1 1 1   20    8   15 o  307.783   6.3277  252.355   10.422  283.559   16.170  230.180   13.631  323.807   9.2413  291.759   8.6461 32.04782 12.65534 
1 1 1   20    8   16 o  441.430   8.1374  523.789   19.324  491.892   25.882  563.964   29.047  426.363   11.234  456.497   11.776 -30.13422 16.27472 
1 1 1   20    8   17 f  804.749   13.897  1753.88   60.434   0.0000   0.0000  1753.88   60.434  ?   ?   804.749   13.897      ?      ? 
1 1 1   20    8   23 o  126.368   25.392   45.090   16.737   0.0000   0.0000   45.090   16.737  ?   ?   126.368   25.392      ?      ? 
1 1 1   20    8   24 o  342.266   13.784  317.568   25.493   0.0000   0.0000  317.568   25.493  ?   ?   342.266   13.784      ?      ? 
1 1 1   20    8   28 o  513.240   10.285  713.683   28.524   0.0000   0.0000  713.683   28.524  ?   ?   513.240   10.285      ?      ? 
1 1 1   20    8   29 o   84.403   20.028   20.235   8.9970   0.0000   0.0000   20.235   8.9970  ?   ?    84.403   20.028      ?      ? 
1 1 1   20    8   30 f  249.414   6.0988  161.846   7.1755  182.095   14.571  155.364   8.2445  259.179   10.404  239.650   6.3665 19.52939 12.19754 
1 1 1   20    8   31 o  356.938   7.4340  344.909   14.339   0.0000   0.0000  344.909   14.339  ?   ?   356.938   7.4340      ?      ? 
1 1 1   20    8   32 f  246.870   4.6774  164.452   6.2241  171.848   9.1998  158.209   8.4521  251.963   6.7570  241.777   6.4694 10.18663 9.354700 
1 1 1   20    8   33 o  315.912   7.0328  270.248   12.006   0.0000   0.0000  270.248   12.006  ?   ?   315.912   7.0328      ?      ? 
1 1 1   20    8   34 o  239.798   6.5164  155.701   8.4438   0.0000   0.0000  155.701   8.4438  ?   ?   239.798   6.5164      ?      ? 
1 1 1   20    8   35 o  187.077   4.8093   94.659   4.8464   96.821   7.1783   92.847   6.5697  189.020   7.0280  185.135   6.5670 3.884598 9.618627 
1 1 1   20    8   36 o  223.218   6.5191  134.988   7.8633   0.0000   0.0000  134.988   7.8633  ?   ?   223.218   6.5191      ?      ? 
1 1 1   20    8   37 o  149.267   7.1293   60.409   5.7504   0.0000   0.0000   60.409   5.7504  ?   ?   149.267   7.1293      ?      ? 
1 1 1   20    8   38 o   77.245   8.3097   16.090   3.4409   17.989   5.2904   14.698   4.5299   81.120   12.069   73.370   11.426 7.750137 16.61940 
1 1 1   20    8   39 f  293.692   4.9920  233.859   7.9172  241.230   11.453  227.114   10.957  298.110   7.1098  289.275   7.0093 8.834930 9.983967 
1 1 1   20    8   40 f  446.246   8.7460  542.102   21.090   0.0000   0.0000  542.102   21.090  ?   ?   446.246   8.7460      ?      ? 
1 1 1   20    8   41 o  110.316   6.4454   33.039   3.8059   39.761   5.5777   27.183   5.2063  120.832   8.5424   99.799   9.6541 21.03331 12.89087 
1 1 1   20    8   42 o  263.691   4.8868  188.663   6.9567  198.773   10.091  179.506   9.6038  270.412   6.9056  256.970   6.9163 13.44196 9.773567 
1 1 1   20    8   43 o  140.574   5.5014   53.814   4.1765   56.430   5.9750   51.314   5.8403  143.928   7.6826  137.221   7.8764 6.707230 11.00272 
1 1 1   20    8   44 f  182.239   5.0667   90.416   4.9862   94.919   7.1053   86.047   6.9989  186.733   7.0416  177.744   7.2870 8.988739 10.13334 
1 1 1   20    8   45 o   89.944   7.9247   22.399   3.8346   24.788   5.4248   20.013   5.4210   94.856   10.584   85.033   11.798 9.823448 15.84940 
1 1 1   20    8   46 o  264.928   4.9907  191.233   7.1406  185.951   9.8978  196.965   10.312  261.132   7.0144  268.724   7.1013 -7.591217 9.981468 
1 1 1   20    8   47 o  170.053   5.3567   79.086   4.9218   78.797   6.9055   79.386   7.0168  169.749   7.5284  170.357   7.6224 -0.6078796 10.71339 
1 1 1   20    8   48 o   42.152   11.383   3.6228   3.6611   5.2350   5.1880   2.0236   5.1671   45.659   16.452   38.645   15.735 7.014038 22.76575 
1 1 1   20    8   49 o  141.721   5.9472   55.342   4.5440   58.530   6.3553   52.007   6.4994  146.007   8.0551  137.434   8.7516 8.572510 11.89440 
1 1 1   20    8   50 f   89.392   8.5741   22.726   4.0843   25.936   5.6481   19.207   5.9131   96.437   10.839   82.347   13.289 14.09042 17.14826 
1 1 1   20    8   51 o   37.890   11.183   0.9053   3.8815  -1.3544   5.2503   3.6292   5.7643   32.915   14.650   42.865   16.900 -9.950428 22.36581 
1 1 1   20    8   52 o  128.164   6.5943   45.579   4.5574   46.072   6.2679   45.026   6.6383  129.016   8.9906  127.312   9.6493 1.703651 13.18864 
1 1 1   20    8   53 o  130.619   6.9515   48.278   4.8125   58.124   6.7580   38.149   6.8548  144.799   8.6370  116.439   10.895 28.36046 13.90291 
1 1 1   20    8   54 o  149.258   8.6586   58.738   6.0162   54.344   6.8362   73.829   12.669  139.661   9.0583  158.856   14.759 -19.19492 17.31719 
1 1 1   20    8   55 o   56.038   15.823   8.2912   7.3796   11.140   9.5729   4.1194   11.585   59.834   22.218   52.243   22.536 7.591461 31.64637 
1 1 1   20    8   56 o  157.475   10.948   69.863   9.0793   56.036   11.435   93.446   14.934  137.536   15.387  177.414   15.578 -39.87737 21.89552 
1 1 1   20    8   57 o   27.063   9.4043 -11.6045   4.7431 -10.1959   6.2679 -13.4918   7.2555   26.672   13.046   27.455   13.548 -0.7827797 18.80853 
1 1 1   20    8   58 o   84.341   11.495   23.069   5.0329   26.379   6.7368   18.889   7.5712   93.940   13.271   74.743   18.772 19.19673 22.98922 
1 1 1   20    8   59 o   65.748   13.346   15.147   5.0198   16.455   6.8650   13.645   7.3589   69.402   18.113   62.095   19.607 7.306274 26.69299 
1 1 1   20    9    0 o  846.274   12.815  1936.53   54.862  1951.80   96.507  1929.24   66.686  848.314   21.053  844.233   14.618 4.081482 25.63024 
1 1 1   20    9    1 o  547.459   7.1743  810.500   21.223  802.057   29.988  818.973   30.040  544.600   10.190  550.318   10.102 -5.717285 14.34860 
1 1 1   20    9    2 f  589.968   7.6453  940.705   24.364  915.737   33.913  967.340   35.027  581.884   10.786  598.051   10.839 -16.16711 15.29067 
1 1 1   20    9    3 o  332.243   5.3176  298.397   9.5423  286.356   13.431  310.671   13.560  325.472   7.6365  339.014   7.4021 -13.54166 10.63518 
1 1 1   20    9    5 o  311.102   7.2321  261.615   12.158   0.0000   0.0000  261.615   12.158  ?   ?   311.102   7.2321      ?      ? 
1 1 1   20    9    7 o  676.982   8.5430  1239.88   31.250  1237.93   44.394  1241.79   43.998  676.449   12.145  677.514   12.018 -1.064575 17.08603 
1 1 1   20    9    8 o  349.908   7.5297  330.966   14.237   0.0000   0.0000  330.966   14.237  ?   ?   349.908   7.5297      ?      ? 
1 1 1   20    9    9 o  121.542   6.1795   40.059   4.0245   38.973   6.0536   40.919   5.3874  120.056   9.3313  123.028   8.1038 -2.971741 12.35897 
1 1 1   20    9   10 o  1097.51   13.279  3261.45   78.686  3180.90  108.637  3350.34  114.122  1083.31   18.558  1111.71   18.997 -28.39453 26.55759 
1 1 1   20    9   11 o  422.661   6.0531  482.717   13.820  465.872   19.300  500.443   19.798  415.096   8.6043  430.225   8.5162 -15.12897 12.10615 
1 1 1   20    9   12 o  697.375   10.627  1314.34   37.831  1325.22   65.386  1308.86   46.382  699.279   17.304  695.471   12.342 3.808167 21.25453 
1 1 1   20    9   13 o  423.667   7.0790  486.975   15.606  479.955   25.727  491.062   19.631  421.180   11.304  426.154   8.5247 -4.973694 14.15808 
1 1 1   20    9   14 o  855.203   12.756  1994.21   56.381  2020.83   70.408  1946.62   94.132  863.690   15.086  846.716   20.574 16.97357 25.51201 
1 1 1   20    9   15 o  526.531   13.388  750.676   38.093   0.0000   0.0000  750.676   38.093  ?   ?   526.531   13.388      ?      ? 
1 1 1   20    9   17 o  474.509   7.4569  608.743   19.120   0.0000   0.0000  608.743   19.120  ?   ?   474.509   7.4569      ?      ? 
1 1 1   20    9   18 o  396.064   5.8097  424.005   12.434   0.0000   0.0000  424.005   12.434  ?   ?   396.064   5.8097      ?      ? 
1 1 1   20    9   19 o  401.005   8.5647  434.897   18.559   0.0000   0.0000  434.897   18.559  ?   ?   401.005   8.5647      ?      ? 
1 1 1   20    9   20 o  777.293   9.6401  1634.49   40.491   0.0000   0.0000  1634.49   40.491  ?   ?   777.293   9.6401      ?      ? 
1 1 1   20    9   21 o  447.776   8.7127  542.296   21.081   0.0000   0.0000  542.296   21.081  ?   ?   447.776   8.7127      ?      ? 
1 1 1   20    9   22 o  396.637   7.9184  425.469   16.971   0.0000   0.0000  425.469   16.971  ?   ?   396.637   7.9184      ?      ? 
1 1 1   20    9   24 o  149.012   12.573   60.165   10.124   0.0000   0.0000   60.165   10.124  ?   ?   149.012   12.573      ?      ? 
1 1 1   20    9   25 o  325.326   8.8445  286.392   15.548   0.0000   0.0000  286.392   15.548  ?   ?   325.326   8.8445      ?      ? 
1 1 1   20    9   26 f  171.882   11.123   80.055   10.331   0.0000   0.0000   80.055   10.331  ?   ?   171.882   11.123      ?      ? 
1 1 1   20    9   27 o  343.159   7.2241  318.598   13.396   0.0000   0.0000  318.598   13.396  ?   ?   343.159   7.2241      ?      ? 
1 1 1   20    9   28 o  263.135   6.0739  187.267   8.6364   0.0000   0.0000  187.267   8.6364  ?   ?   263.135   6.0739      ?      ? 
1 1 1   20    9   29 o  339.127   5.7272  311.039   10.495   0.0000   0.0000  311.039   10.495  ?   ?   339.127   5.7272      ?      ? 
1 1 1   20    9   30 o  269.233   6.3095  202.311   8.3520  181.802   14.997  211.531   10.056  258.877   10.721  279.589   6.6559 -20.71219 12.61900 
1 1 1   20    9   31 o  175.186   6.4867   77.696   4.9765   92.815   11.391   74.129   5.5323  184.860   11.404  165.512   6.1857 19.34724 12.97334 
1 1 1   20    9   32 o  124.489   5.5844   41.067   3.5817   44.997   6.1859   39.085   4.3930  128.826   8.8861  120.153   6.7661 8.672813 11.16887 
1 1 1   20    9   33 o  243.972   6.4000  161.147   8.4374   0.0000   0.0000  161.147   8.4374  ?   ?   243.972   6.4000      ?      ? 
1 1 1   20    9   34 o   93.210   6.9597   22.230   3.3705   28.798   5.8317   18.935   4.1302  102.911   10.487   83.510   9.1527 19.40077 13.91934 
1 1 1   20    9   35 o  167.012   6.5536   75.570   5.9145   0.0000   0.0000   75.570   5.9145  ?   ?   167.012   6.5536      ?      ? 
1 1 1   20    9   36 o  272.745   6.6617  201.583   9.8181   0.0000   0.0000  201.583   9.8181  ?   ?   272.745   6.6617      ?      ? 
1 1 1   20    9   37 o  194.855   4.9150  102.301   5.1342  108.071   7.8509   97.990   6.7867  199.589   7.2794  190.121   6.6060 9.467590 9.829974 
1 1 1   20    9   38 o  271.161   6.9324  199.518   10.158   0.0000   0.0000  199.518   10.158  ?   ?   271.161   6.9324      ?      ? 
1 1 1   20    9   39 o  394.728   8.0677  423.625   17.208   0.0000   0.0000  423.625   17.208  ?   ?   394.728   8.0677      ?      ? 
1 1 1   20    9   40 o  153.119   5.5234   62.708   4.5291   71.955   6.9984   56.044   5.9409  162.654   7.9624  143.583   7.6570 19.07016 11.04673 
1 1 1   20    9   41 o  231.462   4.8916  145.065   6.1041  153.268   9.0135  138.117   8.2959  237.464   7.0244  225.461   6.8094 12.00250 9.783123 
1 1 1   20    9   42 o  316.780   5.1790  272.527   8.8526  283.750   12.949  262.680   12.130  322.859   7.4222  310.702   7.2248 12.15741 10.35795 
1 1 1   20    9   43 f  235.381   4.9179  150.108   6.2395  159.926   9.2319  141.852   8.4658  242.413   7.0477  228.348   6.8609 14.06497 9.835759 
1 1 1   20    9   44 o   81.621   8.9189   18.989   3.7742   16.531   5.5983   21.038   5.1101   75.846   14.181   87.396   10.821 -11.54972 17.83772 
1 1 1   20    9   45 o  136.055   6.0424   50.779   4.4337   48.740   6.3850   52.677   6.1614  133.344   8.8613  138.765   8.2170 -5.420792 12.08477 
1 1 1   20    9   46 o  302.644   7.3612  250.178   12.038   0.0000   0.0000  250.178   12.038  ?   ?   302.644   7.3612      ?      ? 
1 1 1   20    9   47 o  294.383   7.3452  236.955   11.684   0.0000   0.0000  236.955   11.684  ?   ?   294.383   7.3452      ?      ? 
1 1 1   20    9   48 o  213.053   5.1477  123.914   5.9177  133.640   8.5740  115.065   8.1778  221.057   7.1778  205.049   7.3806 16.00816 10.29531 
1 1 1   20    9   49 o  179.762   5.3614   88.374   5.1983   96.140   7.5644   81.424   7.1557  187.261   7.4755  172.263   7.6873 14.99806 10.72275 
1 1 1   20    9   50 o  159.353   5.6887   69.935   4.8933   66.241   6.9159   73.639   6.9244  155.059   8.2540  163.646   7.8305 -8.586884 11.37739 
1 1 1   20    9   51 o   50.355   11.459   6.7453   3.8889   2.0383   5.5173   11.393   5.4825   39.257   16.153   61.453   16.258 -22.19539 22.91872 
1 1 1   20    9   52 o   80.778   9.9847   19.061   4.2536   20.615   6.0187   17.511   6.0124   84.968   13.109   76.588   15.064 8.379547 19.96934 
1 1 1   20    9   53 o   90.112   9.6676   23.793   4.5483   27.048   6.3758   20.420   6.4902   97.563   12.094   82.661   15.086 14.90268 19.33516 
1 1 1   20    9   54 o   69.556   15.239   15.480   5.6356   15.079   6.3530   16.959   12.208   69.180   17.094   69.933   25.232 -0.7524490 30.47701 
1 1 1   20    9   55 o  126.119   13.278   50.438   8.5867   56.284   11.528   43.153   12.869  137.544   15.511  114.694   21.555 22.84991 26.55577 
1 1 1   20    9   56 o   55.161   14.967   3.8556   8.1225   17.581   10.248 -19.3378   13.321   71.677   23.192   38.645   18.927 33.03244 29.93496 
1 1 1   20    9   57 o  110.199   9.0805   37.245   5.2442   42.155   7.0073   30.994   7.9068  120.275   10.782  100.123   14.614 20.15194 18.16097 
1 1 1   20    9   58 o   91.504   10.380   25.346   5.0985   24.522   6.7938   26.409   7.7143   90.322   13.920   92.687   15.402 -2.364891 20.76044 
1 1 1   20    9   59 o   78.412   12.309   20.699   5.0663   19.128   6.8508   22.595   7.5265   75.207   17.228   81.616   17.585 -6.409203 24.61728 
1 1 1   20   10    1 o  747.498   9.3510  1511.95   37.767  1514.23   53.809  1509.75   53.021  748.044   13.312  746.953   13.136 1.091431 18.70201 
1 1 1   20   10    2 o  768.048   9.5490  1596.32   39.628  1600.45   56.422  1592.30   55.670  769.021   13.578  767.074   13.431 1.946655 19.09799 
1 1 1   20   10    3 o  319.750   7.4424  276.372   12.859   0.0000   0.0000  276.372   12.859  ?   ?   319.750   7.4424      ?      ? 
1 1 1   20   10    4 o  626.352   8.0304  1061.21   27.178  1058.91   38.597  1063.47   38.277  625.676   11.416  627.028   11.297 -1.351318 16.06074 
1 1 1   20   10    5 o  531.137   9.9359  762.877   28.517   0.0000   0.0000  762.877   28.517  ?   ?   531.137   9.9359      ?      ? 
1 1 1   20   10    6 o  225.559   7.3694  137.528   8.9821   0.0000   0.0000  137.528   8.9821  ?   ?   225.559   7.3694      ?      ? 
1 1 1   20   10    7 o  342.867   5.5038  317.873   10.195  311.835   14.472  323.822   14.364  339.632   7.8854  346.103   7.6803 -6.470886 11.00753 
1 1 1   20   10    8 o  760.957   9.4886  1565.51   38.989  1524.18   53.907  1610.84   56.459  750.449   13.293  771.464   13.543 -21.01532 18.97729 
1 1 1   20   10    9 o  540.194   7.1920  789.092   20.992  775.357   29.470  803.239   29.908  535.422   10.186  544.966   10.156 -9.543640 14.38405 
1 1 1   20   10   10 o  656.969   11.864  1167.85   42.119   0.0000   0.0000  1167.85   42.119  ?   ?   656.969   11.864      ?      ? 
1 1 1   20   10   11 o  220.582   5.1979  131.401   6.1892  134.425   8.9994  128.687   8.5255  222.985   7.4687  218.178   7.2313 4.807144 10.39588 
1 1 1   20   10   12 o  526.799   7.1391  750.532   20.320  733.990   28.512  767.605   28.966  520.899   10.130  532.698   10.063 -11.79865 14.27825 
1 1 1   20   10   13 o  447.594   7.5545  523.955   16.999  590.991   31.034  495.219   20.319  467.264   12.291  427.923   8.7870 39.34149 15.10896 
1 1 1   20   10   14 o  595.727   7.8625  960.221   25.304  963.217   36.203  957.360   35.382  596.626   11.229  594.828   11.008 1.798828 15.72491 
1 1 1   20   10   15 o  339.068   6.3050  310.184   11.266  307.656   14.389  314.189   18.110  337.321   7.8939  340.814   9.8336 -3.493164 12.61004 
1 1 1   20   10   16 o  277.017   6.4119  207.438   9.5981   0.0000   0.0000  207.438   9.5981  ?   ?   277.017   6.4119      ?      ? 
1 1 1   20   10   17 o  1068.06   12.936  3088.88   74.661   0.0000   0.0000  3088.88   74.661  ?   ?   1068.06   12.936      ?      ? 
1 1 1   20   10   18 o  509.961   6.9180  703.101   19.064   0.0000   0.0000  703.101   19.064  ?   ?   509.961   6.9180      ?      ? 
1 1 1   20   10   19 o  499.655   6.8036  674.953   18.370   0.0000   0.0000  674.953   18.370  ?   ?   499.655   6.8036      ?      ? 
1 1 1   20   10   20 o  324.578   5.4639  284.761   9.5832   0.0000   0.0000  284.761   9.5832  ?   ?   324.578   5.4639      ?      ? 
1 1 1   20   10   21 o  340.314   5.5308  313.066   10.171   0.0000   0.0000  313.066   10.171  ?   ?   340.314   5.5308      ?      ? 
1 1 1   20   10   22 o  566.425   8.3733  867.947   25.629   0.0000   0.0000  867.947   25.629  ?   ?   566.425   8.3733      ?      ? 
1 1 1   20   10   23 o  382.312   5.7573  395.144   11.894   0.0000   0.0000  395.144   11.894  ?   ?   382.312   5.7573      ?      ? 
1 1 1   20   10   24 o  332.459   5.3826  298.805   9.6699   0.0000   0.0000  298.805   9.6699  ?   ?   332.459   5.3826      ?      ? 
1 1 1   20   10   25 o  281.705   5.0022  214.542   7.6145   0.0000   0.0000  214.542   7.6145  ?   ?   281.705   5.0022      ?      ? 
1 1 1   20   10   26 o  276.561   4.9634  206.787   7.4175   0.0000   0.0000  206.787   7.4175  ?   ?   276.561   4.9634      ?      ? 
1 1 1   20   10   27 o  402.125   6.4413  437.406   13.997   0.0000   0.0000  437.406   13.997  ?   ?   402.125   6.4413      ?      ? 
1 1 1   20   10   28 o  706.190   10.119  1351.63   38.613   0.0000   0.0000  1351.63   38.613  ?   ?   706.190   10.119      ?      ? 
1 1 1   20   10   29 o  150.490   4.8310   61.240   3.9285   0.0000   0.0000   61.240   3.9285  ?   ?   150.490   4.8310      ?      ? 
1 1 1   20   10   30 f  137.256   6.9729   49.888   3.4444   52.748   9.7859   49.484   3.6799  139.250   13.005  135.263   5.0347 3.986588 13.94578 
1 1 1   20   10   31 f  325.100   6.6123  286.176   10.561  287.838   19.568  285.494   12.545  325.504   11.125  324.697   7.1501 0.8078613 13.22454 
1 1 1   20   10   32 o  220.914   6.3105  132.117   7.5331   0.0000   0.0000  132.117   7.5331  ?   ?   220.914   6.3105      ?      ? 
1 1 1   20   10   33 o  157.136   5.4319   67.993   4.4141   63.152   7.2585   70.833   5.5604  152.545   8.8057  161.728   6.3626 -9.182739 10.86384 
1 1 1   20   10   34 o  105.019   6.9722   31.128   3.6198   27.029   6.3694   33.083   4.3992   99.574   11.838  110.464   7.3700 -10.88994 13.94437 
1 1 1   20   10   35 o  230.527   4.8723  143.451   6.0059  147.956   9.2457  140.162   7.8995  233.599   7.3245  227.455   6.4271 6.143997 9.744531 
1 1 1   20   10   36 o  100.276   7.6731   30.112   3.6795   20.892   6.3504   34.771   4.5145   87.340   13.456  113.212   7.3795 -25.87162 15.34630 
1 1 1   20   10   37 o  169.472   6.4720   77.884   5.9269   0.0000   0.0000   77.884   5.9269  ?   ?   169.472   6.4720      ?      ? 
1 1 1   20   10   38 o  197.419   5.0473  105.672   5.3120  106.689   8.2309  104.946   6.9542  198.156   7.6870  196.683   6.5432 1.472473 10.09469 
1 1 1   20   10   39 o  211.649   6.6386  121.577   7.5924   0.0000   0.0000  121.577   7.5924  ?   ?   211.649   6.6386      ?      ? 
1 1 1   20   10   40 o  117.520   6.4572   37.427   3.9950   38.781   6.4702   36.592   5.0787  119.107   10.053  115.933   8.1069 3.173668 12.91447 
1 1 1   20   10   41 o  206.911   6.7407  116.375   7.5367   0.0000   0.0000  116.375   7.5367  ?   ?   206.911   6.7407      ?      ? 
1 1 1   20   10   42 o  152.748   5.5686   63.542   4.5360   63.958   7.0138   63.244   5.9471  153.070   8.4796  152.426   7.2203 0.6435547 11.13715 
1 1 1   20   10   43 o  158.937   5.5518   68.829   4.7291   69.613   7.1779   68.228   6.2863  159.641   8.3208  158.234   7.3520 1.407455 11.10350 
1 1 1   20   10   44 o  145.142   6.0145   58.932   4.6098   47.329   6.7659   68.985   6.2978  131.271   9.5383  159.013   7.3294 -27.74232 12.02905 
1 1 1   20   10   45 o  170.447   5.5040   79.278   5.0386   80.660   7.5813   78.184   6.7435  171.674   8.1724  169.219   7.3747 2.454285 11.00795 
1 1 1   20   10   46 o   66.902   10.899   12.907   3.8629   16.392   5.8649   10.237   5.1338   74.879   15.017   58.925   15.799 15.95432 21.79783 
1 1 1   20   10   47 o  253.219   5.1606  175.415   7.0584  170.435   10.012  180.335   9.9523  249.592   7.4236  256.846   7.1707 -7.253876 10.32126 
1 1 1   20   10   48 o  108.328   9.7372   32.473   5.6999   0.0000   0.0000   32.473   5.6999  ?   ?   108.328   9.7372      ?      ? 
1 1 1   20   10   49 o   54.237   11.613   7.8802   3.9894   13.579   5.9606   3.2564   5.3692   67.131   16.539   41.342   16.307 25.78885 23.22631 
1 1 1   20   10   50 o   49.093   12.194   6.5727   4.0432   5.1951   5.9847   7.7294   5.4839   46.470   17.505   51.716   16.979 -5.246292 24.38715 
1 1 1   20   10   51 o  188.318   5.5612   97.591   5.6524   91.240   7.8982  104.258   8.0928  181.965   8.0325  194.671   7.6933 -12.70514 11.12241 
1 1 1   20   10   52 o   53.382   12.659   8.3801   4.3139   7.6020   6.0787   9.1696   6.1231   51.516   17.874   55.248   17.932 -3.732010 25.31887 
1 1 1   20   10   53 o   66.630   12.313   14.043   4.7699   19.870   6.6479   7.8611   6.8478   80.827   15.787   52.433   18.901 28.39423 24.62646 
1 1 1   20   10   54 o  120.259   11.355   39.907   6.4849   36.176   7.4343   51.779   13.262  112.044   12.279  128.475   19.104 -16.43002 22.70948 
1 1 1   20   10   55 o  181.368   10.936   99.508   10.371  108.964   13.591   86.329   16.046  194.313   12.944  168.424   17.631 25.88885 21.87253 
1 1 1   20   10   56 o  111.446   14.993   42.418   8.5749   42.928   10.984   41.622   13.721  116.474   17.452  106.419   24.384 10.05525 29.98541 
1 1 1   20   10   57 o   82.330   12.024   22.048   5.2613   26.938   7.3818   16.998   7.5007   94.102   14.517   70.558   19.173 23.54382 24.04884 
1 1 1   20   10   58 f   47.763   12.699   5.5441   4.9837   12.179   7.0676  -1.0179   7.0287   59.007   19.271   36.519   16.542 22.48818 25.39705 
1 1 1   20   11    0 o  154.881   6.5009   63.814   5.3926   76.723   8.2048   53.997   7.1551  168.450   9.0138  141.312   9.3702 27.13803 13.00183 
1 1 1   20   11    1 o  205.389   8.1883  114.046   9.0878  114.046   9.0878   0.0000   0.0000  205.389   8.1883  ?   ?       ?      ? 
1 1 1   20   11    2 o  785.140   9.7783  1668.44   41.485  1656.25   58.484  1680.79   58.855  782.252   13.836  788.028   13.821 -5.776184 19.55662 
1 1 1   20   11    3 o  247.467   5.5188  165.915   7.3596  159.678   10.688  171.540   10.149  243.028   8.1386  251.907   7.4558 -8.878296 11.03752 
1 1 1   20   11    4 o  794.396   9.8860  1708.02   42.434  1688.54   59.581  1728.08   60.450  789.801   13.960  798.990   14.001 -9.189270 19.77191 
1 1 1   20   11    5 o  144.979   6.5284   56.765   5.1008   57.792   7.5223   55.892   6.9402  146.187   9.5225  143.771   8.9333 2.415741 13.05687 
1 1 1   20   11    7 o  320.378   5.5144  277.491   9.5433  277.857   13.683  277.145   13.317  320.580   7.8987  320.175   7.6972 0.4054260 11.02888 
1 1 1   20   11    9 o  458.360   6.5294  566.859   16.152  540.513   22.183  596.587   23.564  447.054   9.1829  469.666   9.2847 -22.61188 13.05876 
1 1 1   20   11   10 o  661.239   8.4777  1182.99   30.286  1161.87   42.351  1205.11   43.329  655.202   11.962  667.276   12.017 -12.07397 16.95546 
1 1 1   20   11   11 o  249.517   5.3670  168.366   7.2323  161.356   10.200  175.453   10.256  244.290   7.7271  254.744   7.4506 -10.45436 10.73402 
1 1 1   20   11   12 o  630.360   11.593  1075.31   39.488   0.0000   0.0000  1075.31   39.488  ?   ?   630.360   11.593      ?      ? 
1 1 1   20   11   13 o  515.636   7.1652  719.303   19.958  716.811   28.581  721.673   27.880  514.756   10.275  516.516   9.9891 -1.760437 14.33050 
1 1 1   20   11   14 o  326.426   6.2800  291.531   10.945  257.883   16.147  320.129   14.886  308.769   9.6775  344.083   8.0061 -35.31421 12.55996 
1 1 1   20   11   15 o  454.429   12.084  559.009   29.672  559.009   29.672   0.0000   0.0000  454.429   12.084  ?   ?       ?      ? 
1 1 1   20   11   16 o  522.653   9.6636  738.993   27.292   0.0000   0.0000  738.993   27.292  ?   ?   522.653   9.6636      ?      ? 
1 1 1   20   11   17 o  512.812   7.0521  711.001   19.542   0.0000   0.0000  711.001   19.542  ?   ?   512.812   7.0521      ?      ? 
1 1 1   20   11   18 o  197.276   7.3350  105.228   7.8192   0.0000   0.0000  105.228   7.8192  ?   ?   197.276   7.3350      ?      ? 
1 1 1   20   11   19 o  211.568   5.5096  120.994   6.2988   0.0000   0.0000  120.994   6.2988  ?   ?   211.568   5.5096      ?      ? 
1 1 1   20   11   20 o  240.500   5.3204  156.353   6.9143   0.0000   0.0000  156.353   6.9143  ?   ?   240.500   5.3204      ?      ? 
1 1 1   20   11   21 o  362.916   6.2197  356.103   12.197   0.0000   0.0000  356.103   12.197  ?   ?   362.916   6.2197      ?      ? 
1 1 1   20   11   22 o  495.281   9.3675  663.859   25.070   0.0000   0.0000  663.859   25.070  ?   ?   495.281   9.3675      ?      ? 
1 1 1   20   11   23 o  389.397   6.4178  410.048   13.504   0.0000   0.0000  410.048   13.504  ?   ?   389.397   6.4178      ?      ? 
1 1 1   20   11   24 o  321.904   5.7917  280.208   10.074   0.0000   0.0000  280.208   10.074  ?   ?   321.904   5.7917      ?      ? 
1 1 1   20   11   25 o  264.646   5.0923  189.361   7.2823   0.0000   0.0000  189.361   7.2823  ?   ?   264.646   5.0923      ?      ? 
1 1 1   20   11   26 f  248.026   4.9327  166.324   6.6110   0.0000   0.0000  166.324   6.6110  ?   ?   248.026   4.9327      ?      ? 
1 1 1   20   11   27 o  395.948   6.4262  424.127   13.749   0.0000   0.0000  424.127   13.749  ?   ?   395.948   6.4262      ?      ? 
1 1 1   20   11   28 o  329.763   5.3647  294.114   9.5595   0.0000   0.0000  294.114   9.5595  ?   ?   329.763   5.3647      ?      ? 
1 1 1   20   11   29 o  353.808   5.9932  338.714   11.458   0.0000   0.0000  338.714   11.458  ?   ?   353.808   5.9932      ?      ? 
1 1 1   20   11   30 o  122.377   5.4273   40.516   3.5890   0.0000   0.0000   40.516   3.5890  ?   ?   122.377   5.4273      ?      ? 
1 1 1   20   11   31 o  400.688   6.8704  440.452   12.488  427.252   25.907  444.448   14.254  396.220   12.100  405.157   6.5105 -8.937714 13.74070 
1 1 1   20   11   32 o  345.534   7.4518  323.620   13.914   0.0000   0.0000  323.620   13.914  ?   ?   345.534   7.4518      ?      ? 
1 1 1   20   11   33 o  263.679   6.6102  188.375   9.4185   0.0000   0.0000  188.375   9.4185  ?   ?   263.679   6.6102      ?      ? 
1 1 1   20   11   34 o  375.070   7.7270  381.578   15.661   0.0000   0.0000  381.578   15.661  ?   ?   375.070   7.7270      ?      ? 
1 1 1   20   11   35 o  288.013   6.8435  224.908   10.651   0.0000   0.0000  224.908   10.651  ?   ?   288.013   6.8435      ?      ? 
1 1 1   20   11   36 o  154.699   5.5621   65.274   4.4748   64.015   7.3743   66.008   5.6298  153.398   8.8964  156.001   6.6785 -2.602905 11.12422 
1 1 1   20   11   37 o  148.443   6.8219   59.799   5.4721   0.0000   0.0000   59.799   5.4721  ?   ?   148.443   6.8219      ?      ? 
1 1 1   20   11   38 o   78.890   9.1076   16.980   3.5265   18.446   6.3311   16.321   4.2462   80.464   15.116   77.316   10.164 3.147644 18.21520 
1 1 1   20   11   39 o  423.982   8.4485  489.634   19.356   0.0000   0.0000  489.634   19.356  ?   ?   423.982   8.4485      ?      ? 
1 1 1   20   11   40 o   59.222   10.615   10.882   3.5757   4.9606   6.2552   13.756   4.3579   47.693   17.910   70.750   11.399 -23.05672 21.22999 
1 1 1   20   11   41 o  161.892   5.4896   69.897   4.6963   78.525   7.6383   64.654   5.9548  169.648   8.3323  154.135   7.1495 15.51283 10.97914 
1 1 1   20   11   42 o  267.906   6.9388  195.365   10.045   0.0000   0.0000  195.365   10.045  ?   ?   267.906   6.9388      ?      ? 
1 1 1   20   11   43 o  111.173   7.1919   34.261   4.1913   32.917   6.7285   35.113   5.3577  109.117   11.411  113.229   8.7565 -4.111794 14.38386 
1 1 1   20   11   44 o  150.206   5.9221   62.422   4.7278   57.633   7.2068   66.040   6.2641  144.890   9.2048  155.522   7.4538 -10.63173 11.84427 
1 1 1   20   11   45 o  231.645   6.8636  146.445   8.5914   0.0000   0.0000  146.445   8.5914  ?   ?   231.645   6.8636      ?      ? 
1 1 1   20   11   46 o  246.875   7.0234  166.498   9.3695   0.0000   0.0000  166.498   9.3695  ?   ?   246.875   7.0234      ?      ? 
1 1 1   20   11   47 o  293.478   7.2961  235.779   11.571   0.0000   0.0000  235.779   11.571  ?   ?   293.478   7.2961      ?      ? 
1 1 1   20   11   48 o   93.345   9.1439   25.930   4.2533   20.349   6.6532   29.788   5.5312   83.054   15.391  103.636   9.8769 -20.58210 18.28788 
1 1 1   20   11   49 o   99.093   7.9691   26.928   4.2126   31.455   6.6379   23.874   5.4509  105.804   11.610   92.382   10.919 13.42224 15.93811 
1 1 1   20   11   50 o   44.512   11.880   3.8073   4.0177   7.7983   6.1697   0.8687   5.2942   52.466   18.019   36.557   15.486 15.90935 23.75908 
1 1 1   20   11   51 o  128.063   7.1328   46.429   4.8625   38.599   7.0113   53.685   6.7495  117.080   11.082  139.046   8.9831 -21.96597 14.26569 
1 1 1   20   11   52 o   39.931   11.584   0.7365   4.4704  -6.0313   6.7346   6.0677   5.9772   31.993   15.070   47.869   17.596 -15.87631 23.16738 
1 1 1   20   11   53 o  106.148   8.9024   32.558   5.0945   33.349   7.4956   31.880   6.9451  107.140   12.947  105.155   12.223 1.984779 17.80490 
1 1 1   20   11   54 f   54.777   15.273   8.0038   6.2559   9.4694   7.0759   2.7568   13.388   55.800   19.289   53.754   23.685 2.045601 30.54603 
1 1 1   20   11   55 o   43.838   14.431  -5.0281   8.2457  -2.7838   10.595  -8.4752   13.131   43.672   19.985   44.003   20.823 -0.3317642 28.86195 
1 1 1   20   11   56 o   72.065   17.900   20.668   8.5672   15.878   11.065   27.838   13.537   63.903   23.856   80.228   26.693 -16.32545 35.79953 
1 1 1   20   11   57 o  139.816   7.7801   56.519   5.8623   62.347   8.4749   51.171   8.1178  146.995   10.669  132.637   11.326 14.35893 15.56024 
1 1 1   20   11   58 o   61.960   15.665   14.169   6.7280   20.133   10.275   9.6937   8.9013   70.615   23.245   53.304   21.005 17.31101 31.32960 
1 1 1   20   12    0 o  374.781   7.7547  390.018   14.502  353.153   25.432  407.780   17.653  361.213   13.030  388.349   8.4123 -27.13599 15.50939 
1 1 1   20   12    1 o  644.148   8.3065  1122.52   28.910  1105.18   40.578  1140.41   41.199  639.095   11.750  649.202   11.744 -10.10663 16.61298 
1 1 1   20   12    2 o  171.058   6.5847   78.226   6.0439   92.427   9.0671   66.870   8.1079  184.873   9.0762  157.243   9.5423 27.63036 13.16936 
1 1 1   20   12    3 o  839.358   10.418  1905.31   47.203  1848.46   65.004  1968.72   68.656  826.157   14.561  852.559   14.903 -26.40192 20.83529 
1 1 1   20   12    4 o  289.528   5.7225  226.860   8.9405  222.194   12.911  231.159   12.392  286.658   8.3351  292.397   7.8433 -5.739044 11.44509 
1 1 1   20   12    5 o  556.977   10.517  839.262   31.652   0.0000   0.0000  839.262   31.652  ?   ?   556.977   10.517      ?      ? 
1 1 1   20   12    6 o  521.082   9.9816  734.498   28.106   0.0000   0.0000  734.498   28.106  ?   ?   521.082   9.9816      ?      ? 
1 1 1   20   12    7 f  601.196   7.8968  978.043   25.653  972.759   36.321  983.303   36.238  599.572   11.211  602.820   11.125 -3.247620 15.79358 
1 1 1   20   12    8 o   45.497   12.744   2.8805   4.6758   4.0876   6.6700   1.7141   6.5566   47.794   18.366   43.199   17.673 4.594337 25.48790 
1 1 1   20   12    9 o  454.107   9.1922  557.716   22.556   0.0000   0.0000  557.716   22.556  ?   ?   454.107   9.1922      ?      ? 
1 1 1   20   12   10 o   28.918   13.991 -11.0066   6.6891 -11.0066   6.6891   0.0000   0.0000   28.918   13.991  ?   ?       ?      ? 
1 1 1   20   12   11 o  567.479   10.770  871.292   33.026   0.0000   0.0000  871.292   33.026  ?   ?   567.479   10.770      ?      ? 
1 1 1   20   12   12 o  230.956   5.7295  144.098   7.1471  139.093   9.9318  149.475   10.293  226.800   8.1040  235.112   8.1016 -8.312073 11.45908 
1 1 1   20   12   13 o  247.054   5.6717  164.446   7.5575  175.773   11.102  154.664   10.317  254.952   8.0585  239.156   7.9833 15.79617 11.34342 
1 1 1   20   12   14 o  449.726   7.7037  540.545   17.900  570.270   30.483  524.902   22.113  458.945   12.292  440.507   9.2900 18.43799 15.40742 
1 1 1   20   12   15 o  442.432   7.1544  521.964   15.278  546.622   29.447  512.881   17.871  449.343   12.128  435.520   7.5939 13.82306 14.30887 
1 1 1   20   12   17 o  586.822   10.790  932.075   34.216   0.0000   0.0000  932.075   34.216  ?   ?   586.822   10.790      ?      ? 
1 1 1   20   12   18 o  671.412   8.6183  1219.55   31.268   0.0000   0.0000  1219.55   31.268  ?   ?   671.412   8.6183      ?      ? 
1 1 1   20   12   19 o  204.182   5.7829  112.709   6.3805   0.0000   0.0000  112.709   6.3805  ?   ?   204.182   5.7829      ?      ? 
1 1 1   20   12   20 o   76.821   10.621   15.978   4.4091   0.0000   0.0000   15.978   4.4091  ?   ?    76.821   10.621      ?      ? 
1 1 1   20   12   21 f  343.287   5.6991  318.610   10.572   0.0000   0.0000  318.610   10.572  ?   ?   343.287   5.6991      ?      ? 
1 1 1   20   12   22 o   93.898   11.765   23.901   5.9697   0.0000   0.0000   23.901   5.9697  ?   ?    93.898   11.765      ?      ? 
1 1 1   20   12   23 o  473.800   7.3704  607.389   18.870   0.0000   0.0000  607.389   18.870  ?   ?   473.800   7.3704      ?      ? 
1 1 1   20   12   24 o  176.768   5.3729   84.490   5.1322   0.0000   0.0000   84.490   5.1322  ?   ?   176.768   5.3729      ?      ? 
1 1 1   20   12   25 o  246.654   5.1462  164.503   6.8590   0.0000   0.0000  164.503   6.8590  ?   ?   246.654   5.1462      ?      ? 
1 1 1   20   12   26 o  325.845   5.4639  287.148   9.6206   0.0000   0.0000  287.148   9.6206  ?   ?   325.845   5.4639      ?      ? 
1 1 1   20   12   27 o  232.619   5.0461  146.340   6.3430   0.0000   0.0000  146.340   6.3430  ?   ?   232.619   5.0461      ?      ? 
1 1 1   20   12   28 o  101.881   8.2828   28.125   4.5599   0.0000   0.0000   28.125   4.5599  ?   ?   101.881   8.2828      ?      ? 
1 1 1   20   12   29 o  185.147   5.0032   92.723   5.0056   0.0000   0.0000   92.723   5.0056  ?   ?   185.147   5.0032      ?      ? 
1 1 1   20   12   30 o  287.855   5.4700  224.217   8.5083   0.0000   0.0000  224.217   8.5083  ?   ?   287.855   5.4700      ?      ? 
1 1 1   20   12   31 o  236.518   5.9565  137.538   5.6076  173.716   14.704  131.381   6.0661  252.693   10.769  220.344   5.0947 32.34883 11.91297 
1 1 1   20   12   32 o   97.930   9.0018   19.159   3.8541   40.338   9.6138   15.103   4.2070  121.354   14.661   74.506   10.450 46.84813 18.00352 
1 1 1   20   12   33 o  231.311   6.6345  144.983   8.2926   0.0000   0.0000  144.983   8.2926  ?   ?   231.311   6.6345      ?      ? 
1 1 1   20   12   34 o  295.757   6.9712  237.205   11.141   0.0000   0.0000  237.205   11.141  ?   ?   295.757   6.9712      ?      ? 
1 1 1   20   12   35 o  202.077   6.6100  110.751   7.2178   0.0000   0.0000  110.751   7.2178  ?   ?   202.077   6.6100      ?      ? 
1 1 1   20   12   36 o   95.265   7.8638   23.731   3.7459   27.663   6.9469   22.119   4.4479  100.406   12.804   90.124   9.1332 10.28230 15.72757 
1 1 1   20   12   37 o  221.956   6.6821  133.708   8.0143   0.0000   0.0000  133.708   8.0143  ?   ?   221.956   6.6821      ?      ? 
1 1 1   20   12   38 o  154.794   5.9873   68.084   4.7520   54.639   7.5774   76.800   6.1009  141.421   9.9156  168.168   6.7137 -26.74718 11.97465 
1 1 1   20   12   39 o  178.609   5.3926   86.736   5.0609   87.342   8.1841   86.360   6.4399  178.957   8.4632  178.261   6.6855 0.6960144 10.78524 
1 1 1   20   12   40 o   42.784   11.522   3.1467   3.4613   5.9324   6.3024   1.9435   4.1418   49.761   18.102   35.807   14.259 13.95369 23.04367 
1 1 1   20   12   41 o  169.673   5.5085   77.393   4.9154   83.255   8.0459   73.903   6.2087  174.571   8.5293  164.775   6.9730 9.795929 11.01692 
1 1 1   20   12   42 o  311.745   7.3508  265.069   12.383   0.0000   0.0000  265.069   12.383  ?   ?   311.745   7.3508      ?      ? 
1 1 1   20   12   43 o  236.888   6.8961  152.973   8.8274   0.0000   0.0000  152.973   8.8274  ?   ?   236.888   6.8961      ?      ? 
1 1 1   20   12   44 o  304.036   7.3340  252.583   12.049   0.0000   0.0000  252.583   12.049  ?   ?   304.036   7.3340      ?      ? 
1 1 1   20   12   45 o   36.017   10.944  -0.0907   3.6440   1.6498   6.2814  -0.9735   4.4738   40.990   17.083   31.045   13.685 9.944901 21.88849 
1 1 1   20   12   46 o   57.251   11.629   8.0214   3.8380   15.724   6.6604   4.1920   4.6961   72.381   17.270   42.120   15.577 30.26079 23.25706 
1 1 1   20   12   47 o   70.612   11.175   14.148   4.0084   17.654   6.8536   12.326   4.9418   76.630   16.996   64.593   14.512 12.03735 22.34918 
1 1 1   20   12   48 o  107.672   9.5025   32.150   5.5287   0.0000   0.0000   32.150   5.5287  ?   ?   107.672   9.5025      ?      ? 
1 1 1   20   12   49 f  150.991   6.2468   63.256   5.0088   61.698   7.7835   64.357   6.5437  149.062   9.6632  152.919   7.9190 -3.857086 12.49351 
1 1 1   20   12   50 o  100.953   8.4676   28.484   4.5411   30.839   7.2141   26.938   5.8443  104.024   12.834   97.882   11.049 6.141380 16.93517 
1 1 1   20   12   51 o   65.552   12.267   13.535   4.4320   11.294   6.8821   15.123   5.7932   60.437   18.944   70.667   15.589 -10.23059 24.53355 
1 1 1   20   12   52 o   31.517   10.413  -8.6127   4.5352   0.8896   6.9700 -15.5896   5.9724   40.237   17.418   22.797   11.417 17.43966 20.82612 
1 1 1   20   12   53 o   53.563   15.024   7.4697   6.3946   10.056   7.2281  -1.8450   13.717   57.021   19.505   50.106   22.856 6.915115 30.04783 
1 1 1   20   12   54 o   63.773   17.450   12.329   8.4265   10.885   10.894   14.480   13.295   60.626   23.424   66.920   25.871 -6.293694 34.89969 
1 1 1   20   12   55 o   69.001   26.578   20.180   13.991   0.0000   0.0000   20.180   13.991  ?   ?    69.001   26.578      ?      ? 
1 1 1   20   12   56 o   78.564   19.993   21.176   8.5087   0.0000   0.0000   21.176   8.5087  ?   ?    78.564   19.993      ?      ? 
1 1 1   20   12   57 o   37.017   12.273  -5.2937   6.4824 -14.8874   10.546   0.5318   8.2181   33.636   16.547   40.399   18.129 -6.763508 24.54565 
1 1 1   20   13    0 o  176.986   11.641   84.253   11.011   89.212   17.071   80.721   14.409  181.376   17.418  172.597   15.449 8.779465 23.28248 
1 1 1   20   13    1 o  182.665   11.847   93.021   11.363   74.685   17.034  107.725   15.254  165.895   19.001  199.434   14.154 -33.53947 23.69377 
1 1 1   20   13    2 o  564.613   9.5442  868.362   27.155  848.874   47.753  877.676   33.012  559.673   15.790  569.553   10.726 -9.879883 19.08839 
1 1 1   20   13    3 o  264.066   8.1361  188.552   11.610   0.0000   0.0000  188.552   11.610  ?   ?   264.066   8.1361      ?      ? 
1 1 1   20   13    4 o  280.138   5.8305  212.323   8.8212  206.001   12.547  218.502   12.404  276.008   8.4128  284.269   8.0751 -8.260193 11.66110 
1 1 1   20   13    5 o  621.250   8.1594  1044.45   27.391  1039.67   38.806  1049.19   38.666  619.830   11.586  622.669   11.492 -2.838318 16.31874 
1 1 1   20   13    6 o  648.601   8.4289  1137.06   29.518  1103.26   40.750  1174.36   42.815  638.485   11.811  658.718   12.028 -20.23279 16.85774 
1 1 1   20   13    7 o  169.424   7.0334   77.436   6.3937   90.932   9.3138   65.409   8.7927  183.357   9.4003  155.491   10.465 27.86639 14.06686 
1 1 1   20   13    9 o  470.512   9.5981  598.845   24.403   0.0000   0.0000  598.845   24.403  ?   ?   470.512   9.5981      ?      ? 
1 1 1   20   13   10 o  137.393   8.0221   51.068   5.8931   61.489   8.5534   41.651   8.1309  150.747   10.500  124.038   12.131 26.70917 16.04421 
1 1 1   20   13   12 o  294.823   6.0921  234.588   9.6948  246.170   14.118  224.252   13.337  301.693   8.6599  287.953   8.5711 13.74072 12.18429 
1 1 1   20   13   13 o  1079.78   18.669  3165.23  108.930   0.0000   0.0000  3165.23  108.930  ?   ?   1079.78   18.669      ?      ? 
1 1 1   20   13   14 o  327.245   5.9360  288.329   10.473  267.976   14.265  312.129   15.426  314.774   8.3866  339.716   8.4031 -24.94260 11.87207 
1 1 1   20   13   15 o  194.396   5.9134  105.415   6.0145   84.977   9.1371  121.041   7.9894  177.216   9.5415  211.576   6.9881 -34.35947 11.82685 
1 1 1   20   13   16 o  321.045   8.9862  278.875   15.589   0.0000   0.0000  278.875   15.589  ?   ?   321.045   8.9862      ?      ? 
1 1 1   20   13   17 f  669.088   11.945  1212.69   43.187   0.0000   0.0000  1212.69   43.187  ?   ?   669.088   11.945      ?      ? 
1 1 1   20   13   18 o  353.848   9.2279  338.819   17.644   0.0000   0.0000  338.819   17.644  ?   ?   353.848   9.2279      ?      ? 
1 1 1   20   13   19 o  279.084   8.1857  210.725   12.345   0.0000   0.0000  210.725   12.345  ?   ?   279.084   8.1857      ?      ? 
1 1 1   20   13   20 o  584.891   10.755  926.812   33.992   0.0000   0.0000  926.812   33.992  ?   ?   584.891   10.755      ?      ? 
1 1 1   20   13   21 o  109.762   8.3811   32.610   4.9710   0.0000   0.0000   32.610   4.9710  ?   ?   109.762   8.3811      ?      ? 
1 1 1   20   13   22 o  190.236   7.5340   97.929   7.7447   0.0000   0.0000   97.929   7.7447  ?   ?   190.236   7.5340      ?      ? 
1 1 1   20   13   23 o   89.861   9.2020   21.870   4.4683   0.0000   0.0000   21.870   4.4683  ?   ?    89.861   9.2020      ?      ? 
1 1 1   20   13   24 o  516.461   7.0586  721.784   19.699   0.0000   0.0000  721.784   19.699  ?   ?   516.461   7.0586      ?      ? 
1 1 1   20   13   25 o  230.124   5.2951  143.224   6.5845   0.0000   0.0000  143.224   6.5845  ?   ?   230.124   5.2951      ?      ? 
1 1 1   20   13   26 o  201.670   5.3482  110.011   5.8282   0.0000   0.0000  110.011   5.8282  ?   ?   201.670   5.3482      ?      ? 
1 1 1   20   13   27 o  268.660   5.5602  195.275   8.0720   0.0000   0.0000  195.275   8.0720  ?   ?   268.660   5.5602      ?      ? 
1 1 1   20   13   28 o   76.323   8.9276   15.798   3.6819   0.0000   0.0000   15.798   3.6819  ?   ?    76.323   8.9276      ?      ? 
1 1 1   20   13   29 o  209.458   5.2973  118.715   5.9957   0.0000   0.0000  118.715   5.9957  ?   ?   209.458   5.2973      ?      ? 
1 1 1   20   13   30 o  134.683   5.6424   49.107   4.1065   0.0000   0.0000   49.107   4.1065  ?   ?   134.683   5.6424      ?      ? 
1 1 1   20   13   31 o  121.245   7.8228   38.520   3.5795   42.185   9.6855   37.940   3.8523  124.128   14.440  118.363   6.0230 5.764618 15.64568 
1 1 1   20   13   32 o  125.469   7.6883   38.424   3.5949   49.347   10.242   36.889   3.8392  134.238   14.120  116.700   6.0880 17.53791 15.37662 
1 1 1   20   13   33 o   36.188   11.590  -1.6602   3.6033  -2.3423   9.0474  -1.5316   3.9282   44.005   19.426   28.372   12.647 15.63333 23.17976 
1 1 1   20   13   34 o  230.036   6.6504  143.535   8.2667   0.0000   0.0000  143.535   8.2667  ?   ?   230.036   6.6504      ?      ? 
1 1 1   20   13   35 o   36.251   10.981   0.3480   3.4806  -0.8630   6.7896   0.7797   4.0537   39.375   17.118   33.127   13.758 6.247391 21.96141 
1 1 1   20   13   36 o  273.060   6.8985  202.436   10.179   0.0000   0.0000  202.436   10.179  ?   ?   273.060   6.8985      ?      ? 
1 1 1   20   13   37 o   91.650   8.2666   20.674   3.8467   30.751   7.0898   16.470   4.5793  105.754   12.406   77.546   10.928 28.20779 16.53320 
1 1 1   20   13   38 o   69.758   10.858   13.923   3.7342   13.416   6.9493   14.129   4.4278   67.818   18.466   71.698   11.429 -3.879768 21.71621 
1 1 1   20   13   39 o  114.356   6.9684   34.213   4.0562   40.603   7.2886   31.346   4.8821  121.537   11.098  107.175   8.4299 14.36127 13.93674 
1 1 1   20   13   40 o  173.154   5.6013   81.782   5.0681   81.797   8.2964   81.773   6.4014  172.956   8.8769  173.352   6.8337 -0.3961334 11.20266 
1 1 1   20   13   41 o  130.228   6.7804   47.374   4.5228   43.860   7.5730   49.322   5.6389  126.052   11.118  134.403   7.7642 -8.351128 13.56077 
1 1 1   20   13   42 o  129.891   7.2203   49.979   4.6399   35.865   7.6069   58.342   5.8553  113.587   12.393  146.194   7.4120 -32.60707 14.44062 
1 1 1   20   13   43 o   83.853   10.032   20.818   4.0625   18.147   7.0932   22.122   4.9558   78.196   17.250   89.509   10.246 -11.31352 20.06333 
1 1 1   20   13   44 o  200.739   5.5644  111.250   5.9351  105.119   9.1240  115.747   7.8143  195.629   8.6311  205.849   7.0251 -10.22040 11.12873 
1 1 1   20   13   45 o   94.626   8.5113   23.226   4.1764   32.159   7.2645   18.816   5.1043  107.093   12.553   82.159   11.497 24.93392 17.02269 
1 1 1   20   13   46 o  169.598   5.8692   78.494   5.2594   82.140   8.4464   76.185   6.7214  172.498   9.0615  166.699   7.4617 5.799026 11.73830 
1 1 1   20   13   47 o  124.418   7.0321   43.108   4.5798   42.634   7.4319   43.398   5.8151  123.424   11.143  125.412   8.5808 -1.987907 14.06428 
1 1 1   20   13   48 o  125.717   7.1327   44.671   4.7074   40.735   7.3991   47.348   6.1015  120.494   11.364  130.939   8.6234 -10.44521 14.26540 
1 1 1   20   13   49 o   52.486   12.716   7.5622   4.2552   9.7641   6.9036   6.2131   5.4037   57.251   19.063   47.720   16.833 9.530521 25.43136 
1 1 1   20   13   50 o   67.213   12.361   14.150   4.4656   12.942   7.3126   14.867   5.6392   64.234   19.420   70.193   15.299 -5.959091 24.72228 
1 1 1   20   13   51 o   39.677   11.728   1.2939   4.4869  -4.3718   7.2070   4.8796   5.7335   34.728   16.103   44.625   17.056 -9.896839 23.45679 
1 1 1   20   13   52 o   48.042   13.503   5.4440   5.2559  -2.4797   10.818   7.8924   6.0134   44.587   20.323   51.497   17.783 -6.910309 27.00503 
1 1 1   20   13   56 o  183.132   6.6948   95.511   6.5908  102.542   9.9485   90.011   8.7987  188.774   9.7528  177.489   9.1740 11.28471 13.38952 
1 1 1   20   14    0 o  138.347   8.8777   51.975   6.5146   65.542   9.4504   39.689   8.9929  155.632   11.237  121.062   13.747 34.56965 17.75533 
1 1 1   20   14    1 o  319.850   9.7323  278.889   16.688  241.441   23.803  315.090   23.403  298.537   14.755  341.162   12.695 -42.62427 19.46457 
1 1 1   20   14    2 o  316.390   9.8119  268.575   16.661  292.342   25.420  250.676   22.060  328.522   14.320  304.258   13.418 24.26401 19.62371 
1 1 1   20   14    3 o  799.375   14.434  1734.58   62.328  1697.07   86.772  1774.55   89.584  790.474   20.314  808.276   20.511 -17.80182 28.86817 
1 1 1   20   14    4 o  712.752   11.393  1380.27   41.043  1368.47   72.019  1385.95   49.948  710.062   18.770  715.442   12.920 -5.380554 22.78676 
1 1 1   20   14    5 o  748.723   13.449  1518.26   54.412   0.0000   0.0000  1518.26   54.412  ?   ?   748.723   13.449      ?      ? 
1 1 1   20   14    6 o  204.408   6.8627  112.956   7.5773  108.908   10.569  117.237   10.868  200.641   9.7487  208.175   9.6617 -7.533752 13.72534 
1 1 1   20   14    7 o  554.181   7.6800  831.044   22.997  816.436   32.363  845.941   32.683  549.259   10.904  559.103   10.818 -9.843872 15.35993 
1 1 1   20   14    9 o  788.644   10.011  1683.04   42.632  1634.90   58.919  1735.93   61.763  776.842   14.036  800.446   14.279 -23.60382 20.02259 
1 1 1   20   14   14 o  413.306   7.6828  447.120   16.395  513.964   28.431  413.816   20.068  435.575   12.079  391.038   9.4973 44.53680 15.36568 
1 1 1   20   14   15 o  293.310   8.6855  232.757   13.766   0.0000   0.0000  232.757   13.766  ?   ?   293.310   8.6855      ?      ? 
1 1 1   20   14   16 o  486.450   7.2098  639.968   18.952   0.0000   0.0000  639.968   18.952  ?   ?   486.450   7.2098      ?      ? 
1 1 1   20   14   19 o  431.828   6.5390  504.386   15.258   0.0000   0.0000  504.386   15.258  ?   ?   431.828   6.5390      ?      ? 
1 1 1   20   14   20 o  268.699   5.8588  195.251   8.5067   0.0000   0.0000  195.251   8.5067  ?   ?   268.699   5.8588      ?      ? 
1 1 1   20   14   21 o  578.933   8.7406  907.522   27.344   0.0000   0.0000  907.522   27.344  ?   ?   578.933   8.7406      ?      ? 
1 1 1   20   14   22 o  617.163   8.0985  1031.17   27.008   0.0000   0.0000  1031.17   27.008  ?   ?   617.163   8.0985      ?      ? 
1 1 1   20   14   23 o  214.426   7.3487  124.458   8.5148   0.0000   0.0000  124.458   8.5148  ?   ?   214.426   7.3487      ?      ? 
1 1 1   20   14   24 o  200.186   5.7907  108.415   6.2640   0.0000   0.0000  108.415   6.2640  ?   ?   200.186   5.7907      ?      ? 
1 1 1   20   14   25 o  360.826   6.3313  352.362   12.345   0.0000   0.0000  352.362   12.345  ?   ?   360.826   6.3313      ?      ? 
1 1 1   20   14   26 o  357.597   6.2750  346.122   12.125   0.0000   0.0000  346.122   12.125  ?   ?   357.597   6.2750      ?      ? 
1 1 1   20   14   27 o  444.253   7.1079  534.595   17.063   0.0000   0.0000  534.595   17.063  ?   ?   444.253   7.1079      ?      ? 
1 1 1   20   14   28 o  121.345   6.8411   39.891   4.4858   0.0000   0.0000   39.891   4.4858  ?   ?   121.345   6.8411      ?      ? 
1 1 1   20   14   29 o  250.803   7.1078  170.499   9.6328   0.0000   0.0000  170.499   9.6328  ?   ?   250.803   7.1078      ?      ? 
1 1 1   20   14   30 o  276.578   7.1759  207.367   10.725   0.0000   0.0000  207.367   10.725  ?   ?   276.578   7.1759      ?      ? 
1 1 1   20   14   31 o  353.582   6.1829  338.707   11.813   0.0000   0.0000  338.707   11.813  ?   ?   353.582   6.1829      ?      ? 
1 1 1   20   14   32 o  299.165   6.3269  246.112   8.2875  238.739   18.048  248.082   9.3292  295.716   11.295  302.615   5.7051 -6.898621 12.65384 
1 1 1   20   14   33 o  170.336   7.1158   77.815   5.6033   81.667   11.527   76.623   6.4117  172.653   12.356  168.019   7.0620 4.633453 14.23152 
1 1 1   20   14   34 o  301.273   7.2248  246.479   11.762   0.0000   0.0000  246.479   11.762  ?   ?   301.273   7.2248      ?      ? 
1 1 1   20   14   35 o  106.116   7.9037   30.488   4.1976   31.711   7.5817   29.948   5.0407  107.383   13.066  104.849   8.8969 2.533798 15.80741 
1 1 1   20   14   36 o  318.694   7.3007  276.148   12.573   0.0000   0.0000  276.148   12.573  ?   ?   318.694   7.3007      ?      ? 
1 1 1   20   14   37 o  237.520   6.8462  153.382   8.7869   0.0000   0.0000  153.382   8.7869  ?   ?   237.520   6.8462      ?      ? 
1 1 1   20   14   38 o  152.923   6.3689   66.554   4.9633   54.890   8.0961   73.578   6.2824  141.408   10.595  164.438   7.0702 -23.03055 12.73776 
1 1 1   20   14   39 o  207.286   6.8382  116.933   7.6595   0.0000   0.0000  116.933   7.6595  ?   ?   207.286   6.8382      ?      ? 
1 1 1   20   14   40 o  116.256   7.5370   37.176   4.4450   37.470   7.7617   37.033   5.4223  116.201   12.361  116.311   8.6273 -0.1091766 15.07402 
1 1 1   20   14   41 o  129.459   6.9775   46.128   4.6257   46.057   7.9101   46.166   5.7024  129.007   11.347  129.911   8.1231 -0.9046478 13.95493 
1 1 1   20   14   42 o  140.948   6.7738   56.031   4.8466   50.595   8.1983   58.952   6.0090  135.064   11.233  146.831   7.5735 -11.76707 13.54770 
1 1 1   20   14   43 o  193.063   5.6814  101.393   5.7669  105.448   9.3780   98.927   7.3131  195.848   8.8614  190.279   7.1125 5.568390 11.36278 
1 1 1   20   14   44 o  198.080   7.1157  107.295   7.6163   0.0000   0.0000  107.295   7.6163  ?   ?   198.080   7.1157      ?      ? 
1 1 1   20   14   45 o  123.366   7.3752   42.850   4.6948   40.309   7.7638   44.315   5.8946  119.894   11.984  126.838   8.6003 -6.944016 14.75040 
1 1 1   20   14   46 f  130.152   8.5375   46.726   6.0044   0.0000   0.0000   46.726   6.0044  ?   ?   130.152   8.5375      ?      ? 
1 1 1   20   14   47 o   70.693   11.331   16.305   4.3156   9.0269   7.1450   20.485   5.4150   56.050   19.383   85.337   11.743 -29.28665 22.66234 
1 1 1   20   14   48 o   39.107   11.786   1.1190   4.2334   0.2311   7.2118   1.5858   5.2291   40.654   17.658   37.560   15.615 3.094330 23.57165 
1 1 1   20   14   49 o  127.480   11.908   55.528   6.0208   36.419   12.316   61.530   6.9018  105.963   22.219  148.996   8.5724 -43.03282 23.81507 
1 1 1   20   14   50 o   70.857   15.008   16.311   5.7618   16.050   11.530   16.399   6.6520   69.259   24.572   72.455   17.240 -3.195740 30.01628 
1 1 1   20   14   51 o   81.889   13.761   25.014   6.3326   10.851   11.578   31.059   7.5642   60.667   23.941  103.112   13.576 -42.44543 27.52208 
1 1 1   20   14   52 o  138.705   17.332   58.333   12.991   58.333   12.991   0.0000   0.0000  138.705   17.332  ?   ?       ?      ? 
1 1 1   20   14   53 o   78.452   24.709   23.086   11.693   23.086   11.693   0.0000   0.0000   78.452   24.709  ?   ?       ?      ? 
1 1 1   20   14   54 o   72.681   17.522   17.637   8.5899   7.8378   10.719   35.225   14.361   53.241   22.263   92.120   27.063 -38.87896 35.04395 
1 1 1   20   14   55 o  166.363   8.5832   80.287   7.0503   85.833   13.000   77.976   8.3914  167.470   14.366  165.256   9.3970 2.214249 17.16639 
1 1 1   20   15    0 o  761.184   9.6972  1569.30   39.884  1549.06   56.053  1590.07   56.763  756.211   13.717  766.157   13.711 -9.946045 19.39441 
1 1 1   20   15    2 o  868.346   10.850  2039.53   50.837  1968.37   69.646  2120.69   74.376  852.207   15.124  884.485   15.562 -32.27789 21.70010 
1 1 1   20   15    3 o  378.005   8.3504  370.440   15.299  351.438   17.812  423.874   29.870  360.452   9.1451  395.558   13.974 -35.10626 16.70083 
1 1 1   20   15    4 o  417.484   10.251  471.889   23.090  436.487   32.179  509.459   33.150  401.329   14.838  433.640   14.147 -32.31125 20.50156 
1 1 1   20   15    5 o  324.358   10.120  281.818   17.592  309.910   27.063  261.261   23.151  338.164   14.810  310.552   13.796 27.61182 20.24007 
1 1 1   20   15    6 o  425.648   10.414  488.550   23.870  435.586   32.598  549.775   35.048  400.872   15.049  450.423   14.400 -49.55099 20.82836 
1 1 1   20   15    7 o  249.282   6.5348  168.176   8.7985  165.372   12.569  170.870   12.321  247.238   9.4078  251.326   9.0723 -4.088196 13.06959 
1 1 1   20   15    8 o  473.539   9.8276  606.796   25.147   0.0000   0.0000  606.796   25.147  ?   ?   473.539   9.8276      ?      ? 
1 1 1   20   15    9 o   99.615   11.137   26.943   5.9904   27.908   8.4291   25.959   8.5150  101.429   15.379   97.802   16.112 3.626457 22.27365 
1 1 1   20   15   10 o  327.551   8.7489  290.276   15.485   0.0000   0.0000  290.276   15.485  ?   ?   327.551   8.7489      ?      ? 
1 1 1   20   15   11 o   84.463   12.769   20.205   5.8401   28.590   8.2637   11.838   8.2546  102.660   14.897   66.266   20.743 36.39433 25.53791 
1 1 1   20   15   12 o  100.499   15.179   27.402   8.2431   0.0000   0.0000   27.402   8.2431  ?   ?   100.499   15.179      ?      ? 
1 1 1   20   15   13 o  219.062   6.2722  129.788   7.4211  131.642   10.690  128.064   10.310  220.567   8.9692  217.556   8.7701 3.011292 12.54436 
1 1 1   20   15   14 o   87.189   11.567   23.580   5.0855   11.394   7.8283   32.477   6.6892   64.883   20.183  109.495   11.306 -44.61166 23.13330 
1 1 1   20   15   15 o  129.045   9.8900   45.095   6.8964   0.0000   0.0000   45.095   6.8964  ?   ?   129.045   9.8900      ?      ? 
1 1 1   20   15   16 o  641.278   9.7552  1113.78   33.804   0.0000   0.0000  1113.78   33.804  ?   ?   641.278   9.7552      ?      ? 
1 1 1   20   15   17 o  373.745   6.2494  377.795   12.621   0.0000   0.0000  377.795   12.621  ?   ?   373.745   6.2494      ?      ? 
1 1 1   20   15   20 o  391.152   9.3418  414.500   19.745   0.0000   0.0000  414.500   19.745  ?   ?   391.152   9.3418      ?      ? 
1 1 1   20   15   21 f  143.166   7.4139   55.484   5.7355   0.0000   0.0000   55.484   5.7355  ?   ?   143.166   7.4139      ?      ? 
1 1 1   20   15   22 o  228.331   5.8994  141.050   7.2789   0.0000   0.0000  141.050   7.2789  ?   ?   228.331   5.8994      ?      ? 
1 1 1   20   15   23 o  324.291   5.8185  284.542   10.196   0.0000   0.0000  284.542   10.196  ?   ?   324.291   5.8185      ?      ? 
1 1 1   20   15   24 o  463.731   7.4346  582.469   18.630   0.0000   0.0000  582.469   18.630  ?   ?   463.731   7.4346      ?      ? 
1 1 1   20   15   25 o  341.212   7.8024  315.504   14.386   0.0000   0.0000  315.504   14.386  ?   ?   341.212   7.8024      ?      ? 
1 1 1   20   15   26 o  232.453   5.6282  146.249   7.0696   0.0000   0.0000  146.249   7.0696  ?   ?   232.453   5.6282      ?      ? 
1 1 1   20   15   27 o  291.113   5.9401  229.477   9.3443   0.0000   0.0000  229.477   9.3443  ?   ?   291.113   5.9401      ?      ? 
1 1 1   20   15   28 o  302.064   5.9863  247.087   9.7711   0.0000   0.0000  247.087   9.7711  ?   ?   302.064   5.9863      ?      ? 
1 1 1   20   15   29 o  287.966   5.8955  224.574   9.1738   0.0000   0.0000  224.574   9.1738  ?   ?   287.966   5.8955      ?      ? 
1 1 1   20   15   30 o  149.404   6.2394   60.489   5.0372   0.0000   0.0000   60.489   5.0372  ?   ?   149.404   6.2394      ?      ? 
1 1 1   20   15   31 o  102.730   7.6535   28.659   4.2486   0.0000   0.0000   28.659   4.2486  ?   ?   102.730   7.6535      ?      ? 
1 1 1   20   15   32 o   56.149   12.706   8.4118   3.5133   6.5833   9.4671   8.7038   3.7834   57.055   21.891   55.242   12.907 1.812279 25.41262 
1 1 1   20   15   33 o  141.319   7.2668   45.256   4.1399   69.662   11.102   41.315   4.4617  159.254   12.901  123.383   6.6920 35.87128 14.53367 
1 1 1   20   15   34 o   80.952   12.290   20.965   4.5184   13.901   9.4992   23.031   5.1367   70.109   22.292   91.795   10.356 -21.68516 24.57954 
1 1 1   20   15   35 o  379.554   8.0469  392.366   16.504   0.0000   0.0000  392.366   16.504  ?   ?   379.554   8.0469      ?      ? 
1 1 1   20   15   36 o   39.615   9.9833   0.0233   4.0325 -24.4091   8.0257   8.2746   4.6640   25.453   12.813   53.776   15.313 -28.32249 19.96662 
1 1 1   20   15   37 o  249.779   6.9814  169.756   9.4229   0.0000   0.0000  169.756   9.4229  ?   ?   249.779   6.9814      ?      ? 
1 1 1   20   15   38 o  222.555   6.9945  134.866   8.4117   0.0000   0.0000  134.866   8.4117  ?   ?   222.555   6.9945      ?      ? 
1 1 1   20   15   39 o  116.366   8.0270   36.357   4.6804   40.354   8.5520   34.648   5.5922  120.347   13.151  112.385   9.2084 7.962097 16.05408 
1 1 1   20   15   40 o  132.285   7.4648   48.569   5.0450   47.374   8.6122   49.193   6.2250  130.575   12.206  133.994   8.5973 -3.419037 14.92959 
1 1 1   20   15   41 o  171.000   6.5333   82.532   5.8024   71.760   9.2314   89.567   7.4603  161.048   10.608  180.952   7.6296 -19.90331 13.06657 
1 1 1   20   15   42 o  180.633   6.2985   91.739   5.8524   82.583   9.6267   97.107   7.3709  172.787   10.311  188.480   7.2372 -15.69327 12.59698 
1 1 1   20   15   43 o  188.878   6.0767   99.058   5.9742   94.404   9.7358  101.868   7.5661  184.809   9.7490  192.947   7.2568 -8.137863 12.15339 
1 1 1   20   15   44 o   90.156   17.111   24.276   8.0311   24.276   8.0311   0.0000   0.0000   90.156   17.111  ?   ?       ?      ? 
1 1 1   20   15   45 o  125.670   8.0601   46.315   5.0537   38.183   8.5496   50.683   6.2654  115.801   13.663  135.538   8.5546 -19.73705 16.12011 
1 1 1   20   15   46 o  134.749   10.899   53.426   5.9930   50.856   13.984   54.004   6.6330  129.717   19.950  139.781   8.7815 -10.06395 21.79715 
1 1 1   20   15   47 o  160.872   9.3120   61.336   6.8943  100.338   15.454   51.644   7.7034  185.844   15.389  135.899   10.490 49.94415 18.62393 
1 1 1   20   15   48 o   49.531   14.538   4.5496   6.0526  -6.1734   13.845   7.0833   6.7298   47.997   22.278   51.064   18.686 -3.067440 29.07691 
1 1 1   20   15   49 o  186.355   9.4654  100.067   8.4564  101.261   16.156   99.617   9.9244  184.210   16.231  188.500   9.7432 -4.290817 18.93075 
1 1 1   20   15   50 o   57.546   21.263   10.061   8.7465   10.061   8.7465   0.0000   0.0000   57.546   21.263  ?   ?       ?      ? 
1 1 1   20   15   51 o  151.765   12.827   71.162   10.150   73.513   12.991   67.477   16.262  157.646   15.250  145.884   20.629 11.76216 25.65433 
1 1 1   20   15   52 o   65.852   18.002   14.044   8.7976   10.518   10.961   20.426   14.748   58.800   23.266   72.904   27.477 -14.10342 36.00367 
1 1 1   20   15   53 o   66.348   17.678   14.335   8.6682   6.1712   10.731   29.662   14.704   50.898   21.818   81.799   27.821 -30.90089 35.35606 
1 1 1   20   15   54 o   57.956   14.384   5.4495   5.8030   24.730   11.084  -1.8301   6.8110   80.488   23.814   35.424   16.139 45.06349 28.76703 
1 1 1   20   16    0 o  386.694   6.6588  404.952   13.901  388.043   19.768  421.492   19.552  378.687   9.6606  394.701   9.1670 -16.01428 13.31765 
1 1 1   20   16    1 o  801.778   10.160  1742.55   44.009  1755.03   62.993  1730.65   61.509  804.559   14.489  798.998   14.246 5.561401 20.31985 
1 1 1   20   16    2 o  248.279   6.5354  166.515   8.7535  153.494   12.136  180.636   12.638  238.171   9.4297  258.388   9.0514 -20.21637 13.07078 
1 1 1   20   16    4 o  509.177   10.350  701.816   28.478   0.0000   0.0000  701.816   28.478  ?   ?   509.177   10.350      ?      ? 
1 1 1   20   16    6 o  451.527   10.697  551.806   26.045  503.829   35.963  604.730   37.771  430.896   15.445  472.159   14.804 -41.26254 21.39421 
1 1 1   20   16    7 o   81.140   20.866   13.331   12.894  -4.2995   20.873   24.212   16.397   68.167   29.816   94.113   29.199 -25.94676 41.73204 
1 1 1   20   16    8 o  327.018   10.723  290.895   18.855  281.757   27.830  298.649   25.635  322.182   15.986  331.853   14.295 -9.670929 21.44514 
1 1 1   20   16    9 f  491.918   9.4802  628.524   21.921  712.162   44.818  602.222   25.133  512.148   16.195  471.687   9.8605 40.46082 18.96046 
1 1 1   20   16   10 o  547.340   10.752  811.282   31.799   0.0000   0.0000  811.282   31.799  ?   ?   547.340   10.752      ?      ? 
1 1 1   20   16   11 o  289.193   6.2326  226.078   9.7234  208.361   13.518  245.072   13.997  277.455   9.0163  300.930   8.6074 -23.47504 12.46515 
1 1 1   20   16   12 o  118.540   9.7105   39.235   6.0099   49.344   8.3483   28.360   8.6589  134.930   11.450  102.151   15.687 32.77894 19.42094 
1 1 1   20   16   13 o  592.598   9.4166  951.378   28.577  958.558   49.048  947.687   35.161  593.864   15.284  591.333   11.004 2.530701 18.83329 
1 1 1   20   16   14 o  128.850   8.1572   45.112   5.6190   44.324   8.5558   45.709   7.4512  127.824   12.387  129.875   10.617 -2.050697 16.31441 
1 1 1   20   16   15 o  446.525   9.0159  539.896   21.754   0.0000   0.0000  539.896   21.754  ?   ?   446.525   9.0159      ?      ? 
1 1 1   20   16   16 o  256.781   6.2582  178.347   8.6836   0.0000   0.0000  178.347   8.6836  ?   ?   256.781   6.2582      ?      ? 
1 1 1   20   16   17 o  234.630   10.694  149.250   13.559   0.0000   0.0000  149.250   13.559  ?   ?   234.630   10.694      ?      ? 
1 1 1   20   16   18 f  142.202   8.5112   54.764   6.5401   0.0000   0.0000   54.764   6.5401  ?   ?   142.202   8.5112      ?      ? 
1 1 1   20   16   20 o  282.521   6.5476  216.020   9.9958   0.0000   0.0000  216.020   9.9958  ?   ?   282.521   6.5476      ?      ? 
1 1 1   20   16   21 o  225.810   6.1341  137.987   7.4848   0.0000   0.0000  137.987   7.4848  ?   ?   225.810   6.1341      ?      ? 
1 1 1   20   16   22 o  506.657   9.7741  696.579   26.759   0.0000   0.0000  696.579   26.759  ?   ?   506.657   9.7741      ?      ? 
1 1 1   20   16   23 o  271.827   6.9087  200.109   10.148   0.0000   0.0000  200.109   10.148  ?   ?   271.827   6.9087      ?      ? 
1 1 1   20   16   24 o  285.431   6.1709  220.582   9.5178   0.0000   0.0000  220.582   9.5178  ?   ?   285.431   6.1709      ?      ? 
1 1 1   20   16   25 o  306.387   6.2236  254.238   10.304   0.0000   0.0000  254.238   10.304  ?   ?   306.387   6.2236      ?      ? 
1 1 1   20   16   26 o  160.975   6.6239   70.209   5.7618   0.0000   0.0000   70.209   5.7618  ?   ?   160.975   6.6239      ?      ? 
1 1 1   20   16   27 o  377.616   8.1697  386.964   16.670   0.0000   0.0000  386.964   16.670  ?   ?   377.616   8.1697      ?      ? 
1 1 1   20   16   28 o  412.087   6.9362  460.439   15.445   0.0000   0.0000  460.439   15.445  ?   ?   412.087   6.9362      ?      ? 
1 1 1   20   16   29 o  225.347   5.6350  137.566   6.8617   0.0000   0.0000  137.566   6.8617  ?   ?   225.347   5.6350      ?      ? 
1 1 1   20   16   30 o  176.926   6.0044   84.855   5.7405   0.0000   0.0000   84.855   5.7405  ?   ?   176.926   6.0044      ?      ? 
1 1 1   20   16   31 o  179.288   5.8185   87.134   5.6370   0.0000   0.0000   87.134   5.6370  ?   ?   179.288   5.8185      ?      ? 
1 1 1   20   16   32 o   56.480   13.380   9.1223   4.0207   0.0000   0.0000   9.1223   4.0207  ?   ?    56.480   13.380      ?      ? 
1 1 1   20   16   33 o  215.872   6.4427  127.074   5.9757  127.162   13.442  127.052   6.6712  215.298   11.554  216.446   5.7038 -1.148331 12.88541 
1 1 1   20   16   34 o  100.878   10.164   28.029   3.9191   29.527   9.8437   27.747   4.2723  100.820   18.759  100.935   7.8331 -0.1149216 20.32867 
1 1 1   20   16   35 o  154.850   7.9371   65.355   6.6414   0.0000   0.0000   65.355   6.6414  ?   ?   154.850   7.9371      ?      ? 
1 1 1   20   16   36 o   40.937   15.767   3.2574   4.9242   0.0000   0.0000   3.2574   4.9242  ?   ?    40.937   15.767      ?      ? 
1 1 1   20   16   37 o  276.438   5.7316  209.339   8.3866  205.610   13.199  211.863   10.861  274.054   8.9132  278.822   7.2083 -4.767303 11.46319 
1 1 1   20   16   38 o  109.103   8.9820   34.068   4.7506   30.840   8.7082   35.436   5.6683  104.572   15.411  113.634   9.2312 -9.061501 17.96405 
1 1 1   20   16   39 o  132.588   7.5926   49.336   4.9197   46.684   9.0240   50.458   5.8685  129.362   12.909  135.814   7.9964 -6.451782 15.18526 
1 1 1   20   16   40 o   53.502   12.456   8.3592   4.2186   3.7060   7.9197   10.203   4.9847   48.142   19.526   58.863   15.469 -10.72037 24.91116 
1 1 1   20   16   41 o  253.203   7.1037  175.194   9.7194   0.0000   0.0000  175.194   9.7194  ?   ?   253.203   7.1037      ?      ? 
1 1 1   20   16   42 o  114.804   13.117   37.486   5.5033   41.441   14.623   36.833   5.9401  114.136   24.446  115.473   9.5197 -1.337608 26.23384 
1 1 1   20   16   43 f  118.485   12.803   38.784   6.2505   46.757   14.632   37.005   6.9130  121.832   23.070  115.138   11.111 6.694763 25.60660 
1 1 1   20   16   44 o  153.885   10.608   72.110   7.3135   60.338   14.592   76.059   8.4516  142.133   19.000  165.638   9.4426 -23.50580 21.21677 
1 1 1   20   16   45 o  123.629   14.182   58.477   6.9987   27.140   13.910   69.099   8.0984   89.438   26.726  157.821   9.4961 -68.38329 28.36329 
1 1 1   20   16   46 o   84.079   14.115   27.804   6.3567   6.3514   14.350   33.041   7.0902   60.120   25.483  108.038   12.145 -47.91793 28.22946 
1 1 1   20   16   47 o  138.905   9.5961   53.818   7.2027   0.0000   0.0000   53.818   7.2027  ?   ?   138.905   9.5961      ?      ? 
1 1 1   20   16   48 o  133.488   20.646   56.396   14.893   0.0000   0.0000   56.396   14.893  ?   ?   133.488   20.646      ?      ? 
1 1 1   20   16   49 o   45.387   14.721  -3.9995   8.4744   2.3401   10.386 -16.6306   14.659   48.555   21.140   42.218   20.493 6.337460 29.44264 
1 1 1   20   16   50 o  282.628   10.400  159.632   13.094   96.757   14.522  432.883   30.274  181.295   14.824  383.960   14.592 -202.6650 20.80048 
1 1 1   20   16   51 o   56.017   15.750   4.0376   9.1464   18.806   11.413 -22.4797   15.293   71.886   24.510   40.148   19.785 31.73822 31.49909 
1 1 1   20   16   52 o   68.713   14.184   18.286   6.2801   8.1081   10.770   23.529   7.7302   53.190   22.285   84.237   17.552 -31.04684 28.36734 
1 1 1   20   16   53 o  182.844   7.5334   98.044   7.2754   86.948   11.083  106.445   9.6441  172.130   11.916  193.559   9.2207 -21.42854 15.06681 
1 1 1   20   16   54 o   51.460   14.176   6.9936   5.9041   15.183   9.2672   1.3988   7.6599   62.644   22.050   40.275   17.822 22.36921 28.35184 
1 1 1   20   17    0 o  489.543   10.191  648.739   26.958   0.0000   0.0000  648.739   26.958  ?   ?   489.543   10.191      ?      ? 
1 1 1   20   17    1 o  292.252   6.6117  230.320   10.403  240.315   15.511  222.147   14.026  297.980   9.6329  286.523   9.0590 11.45639 13.22340 
1 1 1   20   17    3 o  460.636   9.9828  574.391   24.848   0.0000   0.0000  574.391   24.848  ?   ?   460.636   9.9828      ?      ? 
1 1 1   20   17    4 o  142.927   9.8138   55.631   7.2524   78.862   10.725   36.060   9.8443  170.615   11.633  115.240   15.809 55.37548 19.62768 
1 1 1   20   17    5 o  342.455   6.5152  317.014   12.042  296.132   16.734  339.448   17.344  330.762   9.3623  354.148   9.0631 -23.38574 13.03044 
1 1 1   20   17    6 o  231.740   9.4458  145.386   11.828   0.0000   0.0000  145.386   11.828  ?   ?   231.740   9.4458      ?      ? 
1 1 1   20   17    7 o  365.688   6.4672  362.020   12.776  351.047   17.997  373.168   18.140  360.094   9.2493  371.282   9.0416 -11.18887 12.93442 
1 1 1   20   17    8 o  490.601   10.129  651.964   26.852   0.0000   0.0000  651.964   26.852  ?   ?   490.601   10.129      ?      ? 
1 1 1   20   17    9 o  156.654   18.449   69.190   14.870   65.158   23.303   71.959   19.313  151.126   29.595  162.183   22.037 -11.05780 36.89855 
1 1 1   20   17   10 o  286.572   11.682  222.905   17.905  227.477   27.471  219.527   23.609  288.983   17.592  284.160   15.376 4.822998 23.36402 
1 1 1   20   17   11 o  343.115   11.287  321.469   20.800  307.883   30.783  332.883   28.215  336.271   16.941  349.959   14.920 -13.68784 22.57442 
1 1 1   20   17   12 o  581.125   12.111  915.545   37.862  963.739   56.808  877.027   50.786  594.667   17.679  567.584   16.559 27.08307 24.22237 
1 1 1   20   17   13 o  293.890   8.2532  233.820   13.107   0.0000   0.0000  233.820   13.107  ?   ?   293.890   8.2532      ?      ? 
1 1 1   20   17   14 o  235.520   7.5544  150.129   9.6143   0.0000   0.0000  150.129   9.6143  ?   ?   235.520   7.5544      ?      ? 
1 1 1   20   17   15 o  410.182   6.6624  455.240   14.767   0.0000   0.0000  455.240   14.767  ?   ?   410.182   6.6624      ?      ? 
1 1 1   20   17   16 o  278.277   6.3133  209.523   9.4933   0.0000   0.0000  209.523   9.4933  ?   ?   278.277   6.3133      ?      ? 
1 1 1   20   17   17 o  264.832   7.5082  189.908   10.745   0.0000   0.0000  189.908   10.745  ?   ?   264.832   7.5082      ?      ? 
1 1 1   20   17   18 o  202.037   6.9754  110.509   7.6153   0.0000   0.0000  110.509   7.6153  ?   ?   202.037   6.9754      ?      ? 
1 1 1   20   17   19 o  221.811   11.047  133.643   13.241   0.0000   0.0000  133.643   13.241  ?   ?   221.811   11.047      ?      ? 
1 1 1   20   17   20 o  175.018   8.6636   83.052   8.1935   0.0000   0.0000   83.052   8.1935  ?   ?   175.018   8.6636      ?      ? 
1 1 1   20   17   21 o  144.438   7.8559   56.543   6.1314   0.0000   0.0000   56.543   6.1314  ?   ?   144.438   7.8559      ?      ? 
1 1 1   20   17   22 o  315.701   6.0231  269.839   10.275   0.0000   0.0000  269.839   10.275  ?   ?   315.701   6.0231      ?      ? 
1 1 1   20   17   23 o  161.667   6.9463   70.829   6.0683   0.0000   0.0000   70.829   6.0683  ?   ?   161.667   6.9463      ?      ? 
1 1 1   20   17   24 o  128.872   8.0304   45.057   5.5922   0.0000   0.0000   45.057   5.5922  ?   ?   128.872   8.0304      ?      ? 
1 1 1   20   17   25 o   75.208   12.505   15.440   5.0819   0.0000   0.0000   15.440   5.0819  ?   ?    75.208   12.505      ?      ? 
1 1 1   20   17   26 o  354.618   6.0405  340.673   11.575   0.0000   0.0000  340.673   11.575  ?   ?   354.618   6.0405      ?      ? 
1 1 1   20   17   27 o  225.858   5.8867  138.218   7.1845   0.0000   0.0000  138.218   7.1845  ?   ?   225.858   5.8867      ?      ? 
1 1 1   20   17   28 o  264.725   5.8069  189.922   8.3067   0.0000   0.0000  189.922   8.3067  ?   ?   264.725   5.8069      ?      ? 
1 1 1   20   17   29 o   34.524   14.420   0.7101   4.4891   0.0000   0.0000   0.7101   4.4891  ?   ?    34.524   14.420      ?      ? 
1 1 1   20   17   30 o  112.919   8.0576   34.677   4.9165   0.0000   0.0000   34.677   4.9165  ?   ?   112.919   8.0576      ?      ? 
1 1 1   20   17   31 o  354.666   6.4341  341.409   12.331   0.0000   0.0000  341.409   12.331  ?   ?   354.666   6.4341      ?      ? 
1 1 1   20   17   32 o   87.692   9.4223   21.009   4.4649   0.0000   0.0000   21.009   4.4649  ?   ?    87.692   9.4223      ?      ? 
1 1 1   20   17   33 o  308.875   6.8825  251.693   10.481  284.234   19.803  239.029   12.354  321.513   11.398  296.238   7.7173 25.27441 13.76509 
1 1 1   20   17   34 o  220.277   6.7194  130.566   6.2473  136.441   14.528  129.232   6.9198  222.391   12.089  218.163   5.8698 4.228363 13.43877 
1 1 1   20   17   35 o  126.573   9.5898   46.616   5.5715   40.383   10.958   48.789   6.4703  119.602   16.955  133.544   8.9663 -13.94200 19.17964 
1 1 1   20   17   36 o  165.042   6.7497   76.971   5.8133   64.183   9.0006   86.123   7.6146  152.531   10.920  177.553   7.9365 -25.02280 13.49945 
1 1 1   20   17   37 o  103.615   9.1771   29.306   4.7590   31.583   8.6500   28.317   5.6990  105.876   15.119  101.354   10.406 4.522530 18.35413 
1 1 1   20   17   38 f   76.270   14.798   17.543   5.1713   14.441   13.754   18.053   5.5808   72.141   26.662   80.399   12.846 -8.257668 29.59555 
1 1 1   20   17   39 o   85.815   14.707   25.610   5.8049   14.038   14.210   27.928   6.3597   71.483   26.964  100.146   11.752 -28.66232 29.41406 
1 1 1   20   17   40 o  122.005   13.532   48.061   6.3578   37.793   14.576   50.473   7.0653  108.781   25.279  135.230   9.6688 -26.44956 27.06485 
1 1 1   20   17   41 o   99.647   14.526   37.376   6.2037   18.020   14.067   42.050   6.9123   76.216   27.130  123.077   10.393 -46.86150 29.05252 
1 1 1   20   17   42 o  117.048   13.606   43.753   6.4581   36.757   14.174   45.586   7.2550  106.120   25.109  127.976   10.491 -21.85559 27.21274 
1 1 1   20   17   43 o  160.477   7.2273   72.325   6.2086   65.496   9.1211   78.221   8.4751  152.960   11.035  167.993   9.3361 -15.03313 14.45470 
1 1 1   20   17   44 o   74.148   12.196   17.109   4.7658   13.852   7.9940   18.905   5.9361   66.821   20.327   81.476   13.483 -14.65513 24.39215 
1 1 1   20   17   45 o  150.295   8.8823   62.636   7.2137   0.0000   0.0000   62.636   7.2137  ?   ?   150.295   8.8823      ?      ? 
1 1 1   20   17   46 o   47.887   14.802  -0.6536   6.6963  -3.9971   7.9774   7.3221   12.321   37.485   17.223   58.289   24.078 -20.80408 29.60384 
1 1 1   20   17   47 o  120.349   14.231   43.655   8.7075   28.851   11.147   66.824   13.946   92.522   22.511  148.177   17.417 -55.65544 28.46239 
1 1 1   20   17   48 o  102.071   16.534   34.059   8.7513   27.748   11.040   44.730   14.355   90.183   22.678  113.959   24.066 -23.77534 33.06753 
1 1 1   20   17   49 o  240.376   9.9273  153.321   12.288  111.149   15.045  237.838   21.299  194.900   14.285  285.852   13.789 -90.95135 19.85454 
1 1 1   20   17   50 o   64.642   15.590   12.897   6.0187   19.552   11.376   10.309   7.0928   72.749   24.472   56.535   19.322 16.21408 31.18047 
1 1 1   20   17   51 o   85.881   12.843   24.202   5.7093   28.003   8.9343   21.579   7.4227   91.055   18.782   80.707   17.522 10.34762 25.68626 
1 1 1   20   17   52 o  199.956   9.0025  113.398   9.7271   0.0000   0.0000  113.398   9.7271  ?   ?   199.956   9.0025      ?      ? 
1 1 1   20   17   53 o   63.197   13.925   14.917   5.7357   8.3208   8.7270   19.933   7.6101   51.093   20.576   75.302   18.769 -24.20898 27.85059 
1 1 1   20   18    0 o  632.332   11.936  1084.27   40.784   0.0000   0.0000  1084.27   40.784  ?   ?   632.332   11.936      ?      ? 
1 1 1   20   18    1 o   73.499   15.349   14.992   6.5144   14.734   9.0427   15.270   9.3927   72.845   21.497   74.154   21.916 -1.309029 30.69882 
1 1 1   20   18    2 o  286.207   6.6476  221.480   10.255  226.568   15.116  217.141   13.959  289.228   9.6721  283.185   9.1222 6.043243 13.29525 
1 1 1   20   18    3 f  482.358   7.2670  630.460   18.937  614.686   26.766  646.269   26.796  476.300   10.399  488.416   10.153 -12.11557 14.53394 
1 1 1   20   18    4 o  122.434   15.219   40.750   10.069   0.0000   0.0000   40.750   10.069  ?   ?   122.434   15.219      ?      ? 
1 1 1   20   18    6 o  226.802   9.7406  139.339   11.938   0.0000   0.0000  139.339   11.938  ?   ?   226.802   9.7406      ?      ? 
1 1 1   20   18    7 o  400.874   6.7404  435.339   14.598  425.146   20.643  445.535   20.647  396.167   9.6429  405.580   9.4207 -9.412567 13.48090 
1 1 1   20   18   11 o  180.356   7.5008   88.323   7.2880   96.858   10.359   79.957   10.256  189.024   10.142  171.688   11.054 17.33545 15.00165 
1 1 1   20   18   12 o  220.463   7.2183  130.482   8.5539  118.826   11.410  145.438   12.925  209.344   10.087  231.583   10.329 -22.23906 14.43666 
1 1 1   20   18   13 f  150.061   12.971   61.222   10.518   0.0000   0.0000   61.222   10.518  ?   ?   150.061   12.971      ?      ? 
1 1 1   20   18   14 o  356.712   9.7738  345.094   18.839   0.0000   0.0000  345.094   18.839  ?   ?   356.712   9.7738      ?      ? 
1 1 1   20   18   17 f  166.144   13.404   75.205   12.033   0.0000   0.0000   75.205   12.033  ?   ?   166.144   13.404      ?      ? 
1 1 1   20   18   18 o  256.015   7.2552  177.552   10.037   0.0000   0.0000  177.552   10.037  ?   ?   256.015   7.2552      ?      ? 
1 1 1   20   18   19 o  223.717   6.7126  135.557   8.1148   0.0000   0.0000  135.557   8.1148  ?   ?   223.717   6.7126      ?      ? 
1 1 1   20   18   20 o  127.759   10.742   44.408   7.4159   0.0000   0.0000   44.408   7.4159  ?   ?   127.759   10.742      ?      ? 
1 1 1   20   18   22 o  334.226   9.8273  303.685   17.748   0.0000   0.0000  303.685   17.748  ?   ?   334.226   9.8273      ?      ? 
1 1 1   20   18   23 o  114.455   9.3216   35.602   5.7652   0.0000   0.0000   35.602   5.7652  ?   ?   114.455   9.3216      ?      ? 
1 1 1   20   18   24 o  233.636   7.6710  148.129   9.6845   0.0000   0.0000  148.129   9.6845  ?   ?   233.636   7.6710      ?      ? 
1 1 1   20   18   25 o  151.393   12.894   62.784   10.548   0.0000   0.0000   62.784   10.548  ?   ?   151.393   12.894      ?      ? 
1 1 1   20   18   26 o  125.900   8.5398   43.111   5.8098   0.0000   0.0000   43.111   5.8098  ?   ?   125.900   8.5398      ?      ? 
1 1 1   20   18   27 o   56.709   15.825   9.1580   5.0336   0.0000   0.0000   9.1580   5.0336  ?   ?    56.709   15.825      ?      ? 
1 1 1   20   18   28 o   49.665   16.009   6.6823   4.8865   0.0000   0.0000   6.6823   4.8865  ?   ?    49.665   16.009      ?      ? 
1 1 1   20   18   29 o  131.177   7.7945   46.798   5.5250   0.0000   0.0000   46.798   5.5250  ?   ?   131.177   7.7945      ?      ? 
1 1 1   20   18   30 o  324.181   7.8407  286.087   13.735   0.0000   0.0000  286.087   13.735  ?   ?   324.181   7.8407      ?      ? 
1 1 1   20   18   31 o  210.832   6.2059  120.719   7.0702   0.0000   0.0000  120.719   7.0702  ?   ?   210.832   6.2059      ?      ? 
1 1 1   20   18   32 o  144.216   6.9900   56.582   5.4473   0.0000   0.0000   56.582   5.4473  ?   ?   144.216   6.9900      ?      ? 
1 1 1   20   18   33 o  107.105   8.3759   31.322   4.8476   0.0000   0.0000   31.322   4.8476  ?   ?   107.105   8.3759      ?      ? 
1 1 1   20   18   35 o   35.697   14.408   1.7574   4.2895   0.0000   0.0000   1.7574   4.2895  ?   ?    35.697   14.408      ?      ? 
1 1 1   20   18   36 o  128.170   11.811   45.586   8.1802   0.0000   0.0000   45.586   8.1802  ?   ?   128.170   11.811      ?      ? 
1 1 1   20   18   37 o  107.331   14.726   37.945   6.8324   28.356   14.375   40.743   7.7655   93.691   26.950  120.970   11.880 -27.27901 29.45179 
1 1 1   20   18   38 o   98.317   15.022   30.568   6.4864   26.509   14.414   31.599   7.2633   90.376   27.252  106.257   12.650 -15.88202 30.04453 
1 1 1   20   18   39 o   74.523   12.968   16.310   4.9645   18.378   8.6257   15.285   6.0708   77.291   20.367   71.754   16.058 5.536964 25.93568 
1 1 1   20   18   40 o   45.649   12.846   4.0008   4.6866   1.1522   8.1781   5.3938   5.7189   44.601   19.081   46.698   17.205 -2.097069 25.69202 
1 1 1   20   18   41 o   47.679   13.001   5.0763   4.8288   0.6850   8.3456   7.2863   5.9205   44.201   19.097   51.157   17.647 -6.955837 26.00173 
1 1 1   20   18   42 o  216.962   14.063  134.707   16.487   0.0000   0.0000  134.707   16.487  ?   ?   216.962   14.063      ?      ? 
1 1 1   20   18   43 o  130.836   11.737   45.954   7.8104   38.563   9.3245   63.333   14.298  115.642   14.922  146.031   18.120 -30.38896 23.47309 
1 1 1   20   18   44 o  181.084   10.620   96.739   10.210  106.329   13.763   85.000   15.227  192.673   13.219  169.495   16.626 23.17812 21.24026 
1 1 1   20   18   45 o   56.018   16.171   6.0611   8.1790   11.707   10.661  -2.0146   12.751   62.750   23.418   49.285   22.307 13.46466 32.34197 
1 1 1   20   18   46 o   67.323   16.751   15.378   8.2764   21.358   10.448   5.3063   13.560   78.587   23.083   56.059   24.281 22.52763 33.50225 
1 1 1   20   18   47 o   83.801   18.170   24.479   8.7552   21.595   10.967   29.550   14.539   78.752   23.775   88.849   27.482 -10.09681 36.33949 
1 1 1   20   18   48 f  118.704   12.207   42.934   6.4680   42.883   12.911   42.951   7.4733  114.465   21.668  122.943   11.249 -8.478081 24.41388 
1 1 1   20   18   49 o   97.772   11.665   31.526   5.6758   22.811   8.7106   37.956   7.4823   81.754   19.904  113.791   12.169 -32.03653 23.32902 
1 1 1   20   18   50 f   50.877   13.900   7.6481   5.5974   4.0566   8.5998   10.288   7.3729   46.192   19.659   55.561   19.656 -9.369385 27.79972 
1 1 1   20   18   51 o   70.265   14.180   17.899   5.7957   13.940   8.9995   20.705   7.5759   62.061   21.737   78.470   18.217 -16.40943 28.36076 
1 1 1   20   19    0 o  190.098   8.1191   98.490   8.2506  116.431   11.773   81.177   11.566  207.251   10.513  172.944   12.376 34.30710 16.23825 
1 1 1   20   19    1 o  365.746   6.7538  362.066   13.339  343.842   18.578  381.459   19.164  356.244   9.6506  375.247   9.4511 -19.00241 13.50763 
1 1 1   20   19    2 o  335.070   6.5935  304.077   11.937  297.616   16.758  310.731   17.007  331.455   9.3566  338.686   9.2926 -7.230835 13.18704 
1 1 1   20   19    3 o  126.260   10.309   43.313   7.0298   44.757   10.130   41.972   9.7631  128.285   14.614  124.234   14.543 4.051231 20.61704 
1 1 1   20   19    4 o  400.207   9.5095  433.977   20.565   0.0000   0.0000  433.977   20.565  ?   ?   400.207   9.5095      ?      ? 
1 1 1   20   19    5 o  269.818   9.7092  197.304   14.156  197.304   14.156   0.0000   0.0000  269.818   9.7092  ?   ?       ?      ? 
1 1 1   20   19    6 o  286.366   6.4685  221.332   9.9881  209.074   13.593  235.716   14.725  277.791   9.0556  294.942   9.2391 -17.15152 12.93698 
1 1 1   20   19    7 o  425.505   6.9431  490.748   15.954  493.809   23.006  487.912   22.143  426.760   9.9765  424.250   9.6590 2.509033 13.88617 
1 1 1   20   19    8 o  164.219   8.2424   72.677   7.1952   56.061   9.7360   92.673   10.680  143.627   12.545  184.811   10.695 -41.18355 16.48471 
1 1 1   20   19    9 o  268.273   6.4345  194.739   9.3176  182.770   12.903  207.784   13.470  259.664   9.1955  276.882   9.0029 -17.21793 12.86897 
1 1 1   20   19   10 o  185.969   7.4924   93.988   7.5157   96.273   10.401   91.492   10.872  188.366   10.219  183.571   10.960 4.795456 14.98483 
1 1 1   20   19   11 o  101.054   12.185   28.373   6.4675   24.325   8.9831   32.729   9.3188   92.617   18.595  109.491   15.751 -16.87433 24.36943 
1 1 1   20   19   12 o  219.431   6.7258  129.870   7.8252  134.369   12.414  126.904   10.080  222.489   10.326  216.373   8.6212 6.116638 13.45160 
1 1 1   20   19   13 o  129.956   8.6420   46.974   5.8976   40.743   9.1254   51.442   7.7286  122.268   13.812  137.645   10.391 -15.37782 17.28399 
1 1 1   20   19   14 o  252.711   8.1666  173.100   11.152   0.0000   0.0000  173.100   11.152  ?   ?   252.711   8.1666      ?      ? 
1 1 1   20   19   15 o  451.936   9.3253  554.295   22.773   0.0000   0.0000  554.295   22.773  ?   ?   451.936   9.3253      ?      ? 
1 1 1   20   19   16 o  223.600   7.1574  135.469   8.6481   0.0000   0.0000  135.469   8.6481  ?   ?   223.600   7.1574      ?      ? 
1 1 1   20   19   17 o  312.338   10.819  265.452   18.259   0.0000   0.0000  265.452   18.259  ?   ?   312.338   10.819      ?      ? 
1 1 1   20   19   20 o  185.070   12.933   93.562   12.934   0.0000   0.0000   93.562   12.934  ?   ?   185.070   12.933      ?      ? 
1 1 1   20   19   22 o   57.920   23.901   3.4932   12.123   0.0000   0.0000   3.4932   12.123  ?   ?    57.920   23.901      ?      ? 
1 1 1   20   19   23 o  159.629   13.240   69.893   11.421   0.0000   0.0000   69.893   11.421  ?   ?   159.629   13.240      ?      ? 
1 1 1   20   19   24 o  108.875   19.536   34.062   11.071   0.0000   0.0000   34.062   11.071  ?   ?   108.875   19.536      ?      ? 
1 1 1   20   19   25 o  258.525   10.698  182.582   14.945   0.0000   0.0000  182.582   14.945  ?   ?   258.525   10.698      ?      ? 
1 1 1   20   19   26 o  185.946   8.5035   94.107   8.5442   0.0000   0.0000   94.107   8.5442  ?   ?   185.946   8.5035      ?      ? 
1 1 1   20   19   27 o  316.912   8.0032  273.261   13.705   0.0000   0.0000  273.261   13.705  ?   ?   316.912   8.0032      ?      ? 
1 1 1   20   19   28 o  123.064   10.570   41.482   7.0293   0.0000   0.0000   41.482   7.0293  ?   ?   123.064   10.570      ?      ? 
1 1 1   20   19   29 f   90.497   12.797   22.613   6.2578   0.0000   0.0000   22.613   6.2578  ?   ?    90.497   12.797      ?      ? 
1 1 1   20   19   30 o  197.087   7.5898  105.800   8.0830   0.0000   0.0000  105.800   8.0830  ?   ?   197.087   7.5898      ?      ? 
1 1 1   20   19   31 o  144.772   8.4124   57.226   6.5810   0.0000   0.0000   57.226   6.5810  ?   ?   144.772   8.4124      ?      ? 
1 1 1   20   19   32 o   60.092   16.332   10.524   5.4422   0.0000   0.0000   10.524   5.4422  ?   ?    60.092   16.332      ?      ? 
1 1 1   20   19   33 o  108.738   12.211   32.813   7.1752   0.0000   0.0000   32.813   7.1752  ?   ?   108.738   12.211      ?      ? 
1 1 1   20   19   34 o  163.769   14.220   75.248   12.584   75.248   12.584   0.0000   0.0000  163.769   14.220  ?   ?       ?      ? 
1 1 1   20   19   35 o  131.743   13.727   52.793   9.1148   62.455   12.210   40.631   13.699  148.486   15.217  115.000   22.850 33.48624 27.45319 
1 1 1   20   19   36 o  181.825   10.081   94.985   9.6970  105.135   12.980   82.162   14.588  193.981   12.383  169.670   15.911 24.31105 20.16198 
1 1 1   20   19   37 o   83.387   17.121   21.072   7.9063   18.381   9.8267   26.014   13.314   76.974   22.322   89.800   25.966 -12.82553 34.24187 
1 1 1   20   19   38 o  106.627   15.429   36.163   8.5514   41.329   11.157   28.806   13.314  119.239   17.316   94.015   25.542 25.22359 30.85855 
1 1 1   20   19   39 o  157.961   11.406   72.640   9.5645   75.090   12.577   69.279   14.728  162.231   14.347  153.692   17.734 8.539200 22.81112 
1 1 1   20   19   40 o  138.028   12.648   55.664   9.3084   52.455   12.089   60.338   14.589  133.959   16.700  142.098   19.000 -8.138885 25.29622 
1 1 1   20   19   41 o  103.563   16.444   33.003   8.7994   27.117   11.102   42.950   14.432   91.890   22.531  115.235   23.958 -23.34469 32.88821 
1 1 1   20   19   42 o  125.447   13.873   46.449   9.1995   41.847   11.655   54.054   14.983  118.365   18.222  132.528   20.922 -14.16300 27.74507 
1 1 1   20   19   43 o   61.572   15.317   7.0420   8.5447   22.613   10.868 -18.1644   13.828   82.343   23.350   40.802   19.828 41.54028 30.63320 
1 1 1   20   19   44 o   55.989   14.400   5.2080   5.4229   18.070   10.549   0.5883   6.3222   73.427   23.507   38.551   16.638 34.87602 28.79923 
1 1 1   20   19   45 o   82.333   12.188   19.308   5.2698   30.701   8.8714   13.096   6.5508  100.751   16.295   63.914   18.130 36.83675 24.37672 
1 1 1   20   19   46 o   52.167   14.037   7.3069   5.3433   7.5415   8.8313   7.1715   6.7110   53.668   20.991   50.666   18.642 3.001251 28.07391 
1 1 1   20   19   47 o   92.592   14.352   25.188   7.1808   0.0000   0.0000   25.188   7.1808  ?   ?    92.592   14.352      ?      ? 
1 1 1   20   19   48 o  182.373   8.8296   94.373   8.7014   0.0000   0.0000   94.373   8.7014  ?   ?   182.373   8.8296      ?      ? 
1 1 1   20   19   49 o   64.735   14.221   13.653   5.6336   20.482   8.7610   8.8380   7.3562   76.508   20.693   52.962   19.513 23.54589 28.44170 
1 1 1   20   19   50 o  116.825   9.9741   42.981   6.0373   34.918   9.2369   48.995   7.9771  104.597   16.343  129.053   11.439 -24.45543 19.94816 
1 1 1   20   20    0 o  186.199   9.0633   94.775   9.0507   99.086   12.251   89.595   13.429  190.971   11.872  181.428   13.698 9.543579 18.12663 
1 1 1   20   20    1 o  471.190   13.560  604.279   34.525   0.0000   0.0000  604.279   34.525  ?   ?   471.190   13.560      ?      ? 
1 1 1   20   20    2 f   86.425   15.404   21.200   7.0368   20.846   8.9144   21.784   11.462   85.500   19.700   87.350   23.687 -1.849861 30.80832 
1 1 1   20   20    3 o  346.441   11.753  326.126   22.002   0.0000   0.0000  326.126   22.002  ?   ?   346.441   11.753      ?      ? 
1 1 1   20   20    4 o  251.942   10.033  172.221   13.659   0.0000   0.0000  172.221   13.659  ?   ?   251.942   10.033      ?      ? 
1 1 1   20   20    5 o  194.509   7.7110  102.823   8.0748  103.748   10.986  101.736   11.908  195.506   10.399  193.512   11.388 1.993973 15.42192 
1 1 1   20   20    7 o  462.589   10.186  580.849   25.463   0.0000   0.0000  580.849   25.463  ?   ?   462.589   10.186      ?      ? 
1 1 1   20   20    9 o  331.677   6.6244  298.538   11.870  291.619   16.818  305.405   16.755  327.829   9.4938  335.526   9.2412 -7.697205 13.24884 
1 1 1   20   20   11 o   76.176   13.378   14.183   5.5517   26.757   9.5454   7.7552   6.8247   97.024   18.886   55.329   18.953 41.69498 26.75649 
1 1 1   20   20   12 o  235.448   6.6876  144.018   8.0085  169.707   14.404  132.523   9.6349  249.828   10.670  221.069   8.0655 28.75891 13.37527 
1 1 1   20   20   13 o  528.998   10.292  760.899   29.420   0.0000   0.0000  760.899   29.420  ?   ?   528.998   10.292      ?      ? 
1 1 1   20   20   14 f  427.165   9.0858  495.577   20.972   0.0000   0.0000  495.577   20.972  ?   ?   427.165   9.0858      ?      ? 
1 1 1   20   20   15 o   58.978   18.997   9.3945   6.8819   0.0000   0.0000   9.3945   6.8819  ?   ?    58.978   18.997      ?      ? 
1 1 1   20   20   16 o   98.878   12.410   26.677   6.6310   0.0000   0.0000   26.677   6.6310  ?   ?    98.878   12.410      ?      ? 
1 1 1   20   20   17 o  119.492   11.321   38.908   7.3097   0.0000   0.0000   38.908   7.3097  ?   ?   119.492   11.321      ?      ? 
1 1 1   20   20   18 o  250.435   8.4852  170.330   11.483   0.0000   0.0000  170.330   11.483  ?   ?   250.435   8.4852      ?      ? 
1 1 1   20   20   19 o  139.097   10.870   52.759   8.1704   0.0000   0.0000   52.759   8.1704  ?   ?   139.097   10.870      ?      ? 
1 1 1   20   20   20 o  152.534   10.163   63.417   8.3763   0.0000   0.0000   63.417   8.3763  ?   ?   152.534   10.163      ?      ? 
1 1 1   20   20   21 o  158.356   9.8161   68.350   8.3997   0.0000   0.0000   68.350   8.3997  ?   ?   158.356   9.8161      ?      ? 
1 1 1   20   20   22 o  301.002   8.1533  246.345   13.261   0.0000   0.0000  246.345   13.261  ?   ?   301.002   8.1533      ?      ? 
1 1 1   20   20   23 o  192.502   8.7747  100.888   9.1276   0.0000   0.0000  100.888   9.1276  ?   ?   192.502   8.7747      ?      ? 
1 1 1   20   20   24 o   48.853   18.683   4.7838   6.8815   0.0000   0.0000   4.7838   6.8815  ?   ?    48.853   18.683      ?      ? 
1 1 1   20   20   25 o  168.251   16.729   78.919   15.210   0.0000   0.0000   78.919   15.210  ?   ?   168.251   16.729      ?      ? 
1 1 1   20   20   27 o  130.492   37.350   56.667   27.674   0.0000   0.0000   56.667   27.674  ?   ?   130.492   37.350      ?      ? 
1 1 1   20   20   28 o   59.636   28.419 -25.2252   25.323   0.0000   0.0000 -25.2252   25.323  ?   ?    59.636   28.419      ?      ? 
1 1 1   20   20   29 o   61.117   25.271   5.0984   13.590   0.0000   0.0000   5.0984   13.590  ?   ?    61.117   25.271      ?      ? 
1 1 1   20   20   30 o   31.685   16.018 -42.9972   13.329   0.0000   0.0000 -42.9972   13.329  ?   ?    31.685   16.018      ?      ? 
1 1 1   20   20   31 o  150.629   15.769   64.069   12.835   0.0000   0.0000   64.069   12.835  ?   ?   150.629   15.769      ?      ? 
1 1 1   20   20   32 o   59.010   23.339   7.1183   11.026   0.0000   0.0000   7.1183   11.026  ?   ?    59.010   23.339      ?      ? 
1 1 1   20   20   33 o  120.486   17.628   41.726   11.477   0.0000   0.0000   41.726   11.477  ?   ?   120.486   17.628      ?      ? 
1 1 1   20   20   34 o  132.306   16.591   50.178   11.862   0.0000   0.0000   50.178   11.862  ?   ?   132.306   16.591      ?      ? 
1 1 1   20   20   35 o  152.636   11.513   66.684   9.1920   66.532   11.648   66.937   14.965  153.517   14.042  151.755   18.250 1.761658 23.02647 
1 1 1   20   20   36 o  110.349   15.103   37.341   8.5796   38.221   10.991   35.968   13.726  114.562   17.755  106.137   24.438 8.425224 30.20693 
1 1 1   20   20   37 o   56.004   14.931   8.0537   6.0595   4.7297   10.817   9.5739   7.3150   54.320   22.510   57.688   19.623 -3.367527 29.86204 
1 1 1   20   20   38 o  129.775   11.983   56.495   6.8302   33.018   11.704   68.619   8.4110  102.369   21.825  157.182   9.9028 -54.81208 23.96618 
1 1 1   20   20   39 o  139.523   9.2990   49.958   6.4989   70.608   12.333   42.020   7.6467  156.763   14.559  122.283   11.572 34.48046 18.59793 
1 1 1   20   20   40 o   83.975   13.105   21.365   5.6565   23.068   9.1987   20.330   7.1730   85.820   20.176   82.131   16.731 3.689354 26.21020 
1 1 1   20   20   41 o  118.171   11.431   39.413   7.2996   0.0000   0.0000   39.413   7.2996  ?   ?   118.171   11.431      ?      ? 
1 1 1   20   20   42 o   47.960   13.573   4.2493   5.1021   7.3876   8.7724   2.6451   6.2721   54.079   20.985   41.840   17.220 12.23925 27.14587 
1 1 1   20   20   43 o   40.637   12.424   0.8967   5.0272  -3.0061   8.4126   3.0645   6.2699   39.129   17.869   42.145   17.267 -3.016514 24.84800 
1 1 1   20   20   44 o  214.338   6.3947  129.380   7.3272  121.977   10.995  135.294   9.8272  208.163   9.7750  220.513   8.2472 -12.35010 12.78930 
1 1 1   20   20   45 o  112.840   15.294   37.684   9.3253   37.684   9.3253   0.0000   0.0000  112.840   15.294  ?   ?       ?      ? 
1 1 1   20   20   46 o   38.451   11.988  -1.3206   5.1994  -8.7053   8.2826   3.4819   6.6794   33.578   16.070   43.324   17.794 -9.746380 23.97645 
1 1 1   20   20   47 o   44.907   12.930   4.2500   5.3158  -1.7316   8.1372   8.7031   7.0210   38.157   17.481   51.658   19.058 -13.50080 25.86090 
1 1 1   20   20   48 o   43.619   13.136   2.3397   5.3727   6.1082   8.5157  -0.1524   6.9250   49.339   20.158   37.898   16.849 11.44092 26.27204 
1 1 1   20   20   49 o   70.125   14.065   17.924   5.5774   16.657   8.6887   18.812   7.2739   66.497   21.338   73.754   18.331 -7.257057 28.13078 
1 1 1   20   21    0 f  301.177   7.3906  245.554   11.822  250.901   18.601  241.930   15.313  303.777   11.332  298.577   9.4908 5.200226 14.78114 
1 1 1   20   21    1 o  208.441   8.7959  117.746   9.8638  112.838   13.237  123.874   14.791  203.630   12.030  213.251   12.836 -9.620285 17.59183 
1 1 1   20   21    2 o  490.714   9.7873  656.557   25.946  672.973   37.190  640.991   36.216  496.682   13.857  484.747   13.826 11.93533 19.57466 
1 1 1   20   21    3 o  270.635   8.2063  198.894   11.989  191.194   16.502  207.500   17.446  265.112   11.519  276.158   11.691 -11.04593 16.41253 
1 1 1   20   21    4 o  497.992   9.8397  676.911   26.477  684.009   37.455  669.820   37.434  500.627   13.845  495.357   13.985 5.270142 19.67933 
1 1 1   20   21    5 o  516.320   10.083  727.234   28.110  754.054   40.768  702.928   38.811  525.341   14.361  507.299   14.158 18.04276 20.16677 
1 1 1   20   21    6 o  557.409   10.637  849.812   32.030  869.369   45.936  831.306   44.685  563.628   15.083  551.189   15.003 12.43970 21.27371 
1 1 1   20   21    7 o  404.344   8.7278  444.998   19.054  465.991   27.608  425.901   26.331  413.432   12.358  395.256   12.328 18.17572 17.45568 
1 1 1   20   21    8 o  212.000   8.1488  122.112   9.2884  119.437   12.466  125.450   13.926  209.471   11.013  214.529   12.013 -5.057678 16.29761 
1 1 1   20   21    9 o  224.418   8.0873  137.684   9.7326  158.536   13.858  117.387   13.672  241.372   10.625  207.465   12.195 33.90721 16.17455 
1 1 1   20   21   10 o  293.368   7.7022  232.872   12.168  217.230   16.401  252.027   18.149  282.506   10.743  304.231   11.040 -21.72430 15.40436 
1 1 1   20   21   11 o  139.136   10.073   54.059   7.4110   63.514   10.176   43.378   10.815  152.580   12.342  125.693   15.923 26.88675 20.14616 
1 1 1   20   21   12 o  121.553   10.833   40.462   7.0717   39.955   9.4656   41.104   10.639  120.786   14.503  122.320   16.096 -1.533508 21.66543 
1 1 1   20   21   13 o   39.247   17.853  -4.8665   8.2943   0.0000   0.0000  -4.8665   8.2943  ?   ?    39.247   17.853      ?      ? 
1 1 1   20   21   16 o  162.397   10.458   71.893   9.1777   0.0000   0.0000   71.893   9.1777  ?   ?   162.397   10.458      ?      ? 
1 1 1   20   21   17 o  158.339   10.032   68.336   8.5834   0.0000   0.0000   68.336   8.5834  ?   ?   158.339   10.032      ?      ? 
1 1 1   20   21   18 o  181.056   9.1107   89.250   8.9136   0.0000   0.0000   89.250   8.9136  ?   ?   181.056   9.1107      ?      ? 
1 1 1   20   21   19 o   42.728   17.886   1.1416   6.9288   0.0000   0.0000   1.1416   6.9288  ?   ?    42.728   17.886      ?      ? 
1 1 1   20   21   20 o  116.877   10.203   37.289   6.4438   0.0000   0.0000   37.289   6.4438  ?   ?   116.877   10.203      ?      ? 
1 1 1   20   21   21 o  179.972   7.6943   88.049   7.4828   0.0000   0.0000   88.049   7.4828  ?   ?   179.972   7.6943      ?      ? 
1 1 1   20   21   23 o  229.181   7.1892  142.809   8.9032   0.0000   0.0000  142.809   8.9032  ?   ?   229.181   7.1892      ?      ? 
1 1 1   20   21   24 o  137.207   8.9376   51.402   6.6266   0.0000   0.0000   51.402   6.6266  ?   ?   137.207   8.9376      ?      ? 
1 1 1   20   21   25 o  120.376   9.5897   39.649   6.2378   0.0000   0.0000   39.649   6.2378  ?   ?   120.376   9.5897      ?      ? 
1 1 1   20   21   26 o  145.059   8.4827   57.445   6.6492   0.0000   0.0000   57.445   6.6492  ?   ?   145.059   8.4827      ?      ? 
1 1 1   20   21   27 o  178.121   7.3798   86.440   7.1031   0.0000   0.0000   86.440   7.1031  ?   ?   178.121   7.3798      ?      ? 
1 1 1   20   21   28 o   84.431   12.658   19.783   5.7748   0.0000   0.0000   19.783   5.7748  ?   ?    84.431   12.658      ?      ? 
1 1 1   20   21   29 o  116.213   9.6118   37.108   6.0360   0.0000   0.0000   37.108   6.0360  ?   ?   116.213   9.6118      ?      ? 
1 1 1   20   21   30 o  128.997   8.4378   45.567   5.8816   0.0000   0.0000   45.567   5.8816  ?   ?   128.997   8.4378      ?      ? 
1 1 1   20   21   31 o  194.737   8.9731  104.165   9.4423   0.0000   0.0000  104.165   9.4423  ?   ?   194.737   8.9731      ?      ? 
1 1 1   20   21   32 o  122.597   8.7592   41.299   5.8027   0.0000   0.0000   41.299   5.8027  ?   ?   122.597   8.7592      ?      ? 
1 1 1   20   21   33 o  170.253   6.8810   79.157   6.3304   0.0000   0.0000   79.157   6.3304  ?   ?   170.253   6.8810      ?      ? 
1 1 1   20   21   34 o  289.741   6.5136  229.172   10.198   0.0000   0.0000  229.172   10.198  ?   ?   289.741   6.5136      ?      ? 
1 1 1   20   21   35 o  212.590   6.4255  123.435   7.3814   0.0000   0.0000  123.435   7.3814  ?   ?   212.590   6.4255      ?      ? 
1 1 1   20   21   36 o   60.384   13.396   11.626   4.7547   4.8761   10.395   13.412   5.3468   53.621   22.131   67.147   15.102 -13.52586 26.79251 
1 1 1   20   21   37 o  196.743   7.2600  110.091   6.4089  103.671   13.315  112.026   7.3115  191.206   12.887  202.280   6.6890 -11.07385 14.51993 
1 1 1   20   21   38 o   76.786   13.124   18.254   4.6460   16.536   10.477   18.675   5.1834   72.098   23.459   81.474   11.774 -9.376030 26.24791 
1 1 1   20   21   39 o   69.343   14.134   15.351   5.6486   12.645   8.5893   17.413   7.4980   63.912   21.262   74.774   18.626 -10.86137 28.26707 
1 1 1   20   21   40 o   60.069   14.241   11.159   5.5568   7.9411   8.8066   13.287   7.1627   55.066   21.117   65.072   19.112 -10.00672 28.48124 
1 1 1   20   21   41 o   98.760   11.995   32.612   5.7509   18.098   8.9039   43.000   7.5329   74.345   21.154  123.175   11.318 -48.83009 23.99096 
1 1 1   20   21   42 o  168.911   7.5054   82.072   6.7232   73.628   10.179   88.606   8.9541  160.171   11.761  177.650   9.3275 -17.47923 15.01084 
1 1 1   20   21   43 o   53.929   13.183   7.9160   5.5290  -2.4638   8.9231   14.385   7.0442   40.858   18.559   67.000   18.729 -26.14222 26.36694 
1 1 1   20   21   44 o  151.139   7.9438   64.949   6.4303   65.001   9.7483   64.910   8.5556  150.681   11.972  151.598   10.444 -0.9172974 15.88769 
1 1 1   20   21   45 o   44.974   13.400   3.8788   5.5204   3.6492   8.4595   4.0491   7.2855   45.587   19.452   44.362   18.436 1.224625 26.80030 
1 1 1   20   21   46 o  124.702   12.189   45.848   8.2137   0.0000   0.0000   45.848   8.2137  ?   ?   124.702   12.189      ?      ? 
1 1 1   20   21   47 o  109.950   11.833   41.883   6.1098   23.455   9.3138   55.803   8.0951   81.139   21.059  138.761   10.796 -57.62231 23.66529 
1 1 1   20   21   48 o   72.318   13.565   19.647   5.7421   12.376   8.8061   25.024   7.5737   57.823   21.342   86.813   16.752 -28.99009 27.13086 
1 1 1   20   22    0 o   75.058   15.721   15.848   6.8177   14.349   9.2415   17.638   10.099   71.562   21.874   78.555   22.586 -6.993408 31.44197 
1 1 1   20   22    1 f  240.749   10.016  157.606   13.030   0.0000   0.0000  157.606   13.030  ?   ?   240.749   10.016      ?      ? 
1 1 1   20   22    2 o  145.099   9.4896   57.529   7.4372   57.189   10.352   57.892   10.691  144.677   13.242  145.520   13.596 -0.8429565 18.97921 
1 1 1   20   22    3 o  336.237   6.9311  307.533   12.583  294.462   17.838  320.478   17.753  329.072   10.032  343.401   9.5669 -14.32874 13.86212 
1 1 1   20   22    4 o  401.466   9.6954  438.092   21.033   0.0000   0.0000  438.092   21.033  ?   ?   401.466   9.6954      ?      ? 
1 1 1   20   22    5 o   42.608   13.677  -5.4167   6.8408  -6.1800   9.5645  -4.6173   9.7882   41.551   19.005   43.666   19.674 -2.115120 27.35393 
1 1 1   20   22    7 o  136.201   9.0831   50.765   6.6657   52.061   9.1596   49.307   9.7187  138.117   12.273  134.285   13.393 3.831802 18.16610 
1 1 1   20   22    9 o  150.311   8.7907   61.559   7.0555   49.521   9.6716   75.253   10.315  134.524   13.305  166.098   11.493 -31.57341 17.58144 
1 1 1   20   22   10 o   54.867   13.991   5.8445   5.4176   11.595   8.5870   2.0424   6.9826   65.275   21.238   44.459   18.219 20.81648 27.98159 
1 1 1   20   22   11 o   51.652   12.668   4.2535   5.3883  -8.0225   8.4327   12.724   7.0048   36.575   17.112   66.728   18.685 -30.15257 25.33656 
1 1 1   20   22   12 o  171.336   8.8178   79.838   8.1639   0.0000   0.0000   79.838   8.1639  ?   ?   171.336   8.8178      ?      ? 
1 1 1   20   22   13 o  209.422   7.7860  119.135   8.8110   0.0000   0.0000  119.135   8.8110  ?   ?   209.422   7.7860      ?      ? 
1 1 1   20   22   14 o  170.895   9.0329   79.503   8.3415   0.0000   0.0000   79.503   8.3415  ?   ?   170.895   9.0329      ?      ? 
1 1 1   20   22   15 o  117.055   11.128   37.457   7.0385   0.0000   0.0000   37.457   7.0385  ?   ?   117.055   11.128      ?      ? 
1 1 1   20   22   16 o  154.419   8.8103   64.915   7.3516   0.0000   0.0000   64.915   7.3516  ?   ?   154.419   8.8103      ?      ? 
1 1 1   20   22   17 o  176.902   7.8188   85.076   7.4741   0.0000   0.0000   85.076   7.4741  ?   ?   176.902   7.8188      ?      ? 
1 1 1   20   22   18 o  273.373   8.4668  203.446   12.507   0.0000   0.0000  203.446   12.507  ?   ?   273.373   8.4668      ?      ? 
1 1 1   20   22   19 o  146.732   9.9742   58.826   7.9085   0.0000   0.0000   58.826   7.9085  ?   ?   146.732   9.9742      ?      ? 
1 1 1   20   22   20 o  212.100   7.1506  122.313   8.1954   0.0000   0.0000  122.313   8.1954  ?   ?   212.100   7.1506      ?      ? 
1 1 1   20   22   21 o  102.360   11.971   28.845   6.6216   0.0000   0.0000   28.845   6.6216  ?   ?   102.360   11.971      ?      ? 
1 1 1   20   22   22 o   60.842   17.888   10.655   6.2720   0.0000   0.0000   10.655   6.2720  ?   ?    60.842   17.888      ?      ? 
1 1 1   20   22   23 o  120.795   12.377   40.289   8.0788   0.0000   0.0000   40.289   8.0788  ?   ?   120.795   12.377      ?      ? 
1 1 1   20   22   24 o  160.408   8.4242   70.261   7.3020   0.0000   0.0000   70.261   7.3020  ?   ?   160.408   8.4242      ?      ? 
1 1 1   20   22   25 o  163.753   7.8561   73.175   6.9516   0.0000   0.0000   73.175   6.9516  ?   ?   163.753   7.8561      ?      ? 
1 1 1   20   22   26 o  169.689   7.7641   78.631   7.1193   0.0000   0.0000   78.631   7.1193  ?   ?   169.689   7.7641      ?      ? 
1 1 1   20   22   27 f  158.361   7.9609   68.555   6.8124   0.0000   0.0000   68.555   6.8124  ?   ?   158.361   7.9609      ?      ? 
1 1 1   20   22   28 o   62.815   16.750   11.634   5.7898   0.0000   0.0000   11.634   5.7898  ?   ?    62.815   16.750      ?      ? 
1 1 1   20   22   29 o   97.325   11.398   26.298   5.9945   0.0000   0.0000   26.298   5.9945  ?   ?    97.325   11.398      ?      ? 
1 1 1   20   22   30 o   68.834   15.490   13.964   5.6224   0.0000   0.0000   13.964   5.6224  ?   ?    68.834   15.490      ?      ? 
1 1 1   20   22   31 o   94.776   11.059   24.948   5.6640   0.0000   0.0000   24.948   5.6640  ?   ?    94.776   11.059      ?      ? 
1 1 1   20   22   32 o   98.327   10.731   26.863   5.7014   0.0000   0.0000   26.863   5.7014  ?   ?    98.327   10.731      ?      ? 
1 1 1   20   22   33 o  192.470   6.9545  101.365   7.2329   0.0000   0.0000  101.365   7.2329  ?   ?   192.470   6.9545      ?      ? 
1 1 1   20   22   34 o  175.705   7.3217   84.666   6.9516   0.0000   0.0000   84.666   6.9516  ?   ?   175.705   7.3217      ?      ? 
1 1 1   20   22   35 o   67.840   15.049   13.722   5.3725   0.0000   0.0000   13.722   5.3725  ?   ?    67.840   15.049      ?      ? 
1 1 1   20   22   36 o   72.821   14.136   15.612   5.3620   0.0000   0.0000   15.612   5.3620  ?   ?    72.821   14.136      ?      ? 
1 1 1   20   22   37 o  139.426   9.3827   53.041   5.6057   59.685   12.892   51.493   6.2250  142.350   16.761  136.501   8.4395 5.849380 18.76544 
1 1 1   20   22   38 o  123.755   11.517   50.200   5.4950   37.815   12.185   53.361   6.1565  108.605   21.524  138.905   8.2021 -30.30033 23.03403 
1 1 1   20   22   39 o   56.856   15.227   8.5476   6.2608   11.277   10.245   6.9208   7.9095   61.647   22.966   52.065   20.001 9.582508 30.45485 
1 1 1   20   22   40 o  105.846   11.232   34.589   6.0430   25.788   8.6777   42.876   8.4205   90.044   18.454  121.647   12.810 -31.60243 22.46466 
1 1 1   20   22   41 o   63.489   14.668   13.141   5.8266   11.544   8.6174   14.487   7.9083   60.420   21.263   66.558   20.211 -6.137959 29.33650 
1 1 1   20   22   42 o  100.084   12.066   29.650   6.2809   38.703   9.8107   23.362   8.1762  113.949   15.933   86.220   18.125 27.72968 24.13226 
1 1 1   20   22   43 o  126.627   9.4347   47.301   6.3659   45.564   9.7071   48.612   8.4324  123.635   14.530  129.619   12.039 -5.983269 18.86944 
1 1 1   20   22   44 o  108.956   10.575   36.379   6.1781   42.146   9.4605   32.090   8.1580  116.272   15.057  101.641   14.853 14.63136 21.15057 
1 1 1   20   22   45 f   61.161   14.061   12.955   5.8253   5.9782   9.1264   17.752   7.5674   49.860   20.670   72.462   19.068 -22.60198 28.12176 
1 1 1   20   22   46 o   76.046   14.010   21.282   5.9315   16.853   9.1373   24.508   7.7978   66.514   21.921   85.579   17.454 -19.06519 28.02059 
1 1 1   20   23    1 o  218.740   10.521  130.390   12.436  130.390   12.436   0.0000   0.0000  218.740   10.521  ?   ?       ?      ? 
1 1 1   20   23    2 o  256.761   7.0014  179.360   9.7091  171.656   13.534  187.529   13.936  251.070   9.9759  262.453   9.8266 -11.38234 14.00289 
1 1 1   20   23    3 o  246.510   10.163  165.554   13.538   0.0000   0.0000  165.554   13.538  ?   ?   246.510   10.163      ?      ? 
1 1 1   20   23    4 o  343.657   9.5137  321.478   17.667   0.0000   0.0000  321.478   17.667  ?   ?   343.657   9.5137      ?      ? 
1 1 1   20   23    5 o  288.379   9.5797  226.444   14.928   0.0000   0.0000  226.444   14.928  ?   ?   288.379   9.5797      ?      ? 
1 1 1   20   23    6 o  181.544   7.9232   90.068   7.7648   94.984   11.005   85.196   10.957  186.529   10.918  176.560   11.485 9.968811 15.84638 
1 1 1   20   23    7 o  197.574   10.922  106.597   11.661   0.0000   0.0000  106.597   11.661  ?   ?   197.574   10.922      ?      ? 
1 1 1   20   23    8 o  155.276   9.0227   66.151   7.5645   67.049   10.535   65.195   10.868  156.417   12.464  154.135   13.049 2.282562 18.04531 
1 1 1   20   23    9 o   98.698   12.572   27.378   6.5484   24.330   8.9477   30.893   9.6095   91.865   18.662  105.532   16.851 -13.66743 25.14392 
1 1 1   20   23   10 o   69.291   14.318   13.890   5.6828   12.153   8.9311   15.072   7.3664   66.425   21.662   72.156   18.729 -5.731758 28.63563 
1 1 1   20   23   11 o  186.150   6.9901   92.763   6.8713  102.590   11.172   86.785   8.7143  193.787   10.669  178.514   9.0338 15.27339 13.98015 
1 1 1   20   23   12 o  114.201   11.334   35.690   6.9942   0.0000   0.0000   35.690   6.9942  ?   ?   114.201   11.334      ?      ? 
1 1 1   20   23   13 o  289.386   8.3966  227.903   13.130   0.0000   0.0000  227.903   13.130  ?   ?   289.386   8.3966      ?      ? 
1 1 1   20   23   14 o  123.990   10.886   42.063   7.2933   0.0000   0.0000   42.063   7.2933  ?   ?   123.990   10.886      ?      ? 
1 1 1   20   23   15 o  102.003   26.015   31.358   14.384   0.0000   0.0000   31.358   14.384  ?   ?   102.003   26.015      ?      ? 
1 1 1   20   23   16 o  196.098   8.0044  104.706   8.4818   0.0000   0.0000  104.706   8.4818  ?   ?   196.098   8.0044      ?      ? 
1 1 1   20   23   17 o  107.077   12.028   31.558   6.9593   0.0000   0.0000   31.558   6.9593  ?   ?   107.077   12.028      ?      ? 
1 1 1   20   23   18 o   40.832   17.136   1.0542   6.3852   0.0000   0.0000   1.0542   6.3852  ?   ?    40.832   17.136      ?      ? 
1 1 1   20   23   19 o  189.123   7.7252   97.442   7.8948   0.0000   0.0000   97.442   7.8948  ?   ?   189.123   7.7252      ?      ? 
1 1 1   20   23   20 o  120.989   12.847   40.494   8.3994   0.0000   0.0000   40.494   8.3994  ?   ?   120.989   12.847      ?      ? 
1 1 1   20   23   21 o  151.218   8.9475   62.531   7.3112   0.0000   0.0000   62.531   7.3112  ?   ?   151.218   8.9475      ?      ? 
1 1 1   20   23   22 o  146.386   8.8818   58.638   7.0257   0.0000   0.0000   58.638   7.0257  ?   ?   146.386   8.8818      ?      ? 
1 1 1   20   23   23 f  144.645   10.179   57.559   7.9563   0.0000   0.0000   57.559   7.9563  ?   ?   144.645   10.179      ?      ? 
1 1 1   20   23   25 o  109.174   10.990   32.945   6.4831   0.0000   0.0000   32.945   6.4831  ?   ?   109.174   10.990      ?      ? 
1 1 1   20   23   26 o   34.268   15.240  -1.6292   5.6698   0.0000   0.0000  -1.6292   5.6698  ?   ?    34.268   15.240      ?      ? 
1 1 1   20   23   27 o   64.965   16.686   12.541   5.8883   0.0000   0.0000   12.541   5.8883  ?   ?    64.965   16.686      ?      ? 
1 1 1   20   23   28 o   71.291   15.759   14.998   5.9092   0.0000   0.0000   14.998   5.9092  ?   ?    71.291   15.759      ?      ? 
1 1 1   20   23   29 o  286.381   9.0644  225.852   14.027   0.0000   0.0000  225.852   14.027  ?   ?   286.381   9.0644      ?      ? 
1 1 1   20   23   30 o  149.224   8.3019   61.209   6.6943   0.0000   0.0000   61.209   6.6943  ?   ?   149.224   8.3019      ?      ? 
1 1 1   20   23   31 f  177.874   13.688   89.767   13.156   0.0000   0.0000   89.767   13.156  ?   ?   177.874   13.688      ?      ? 
1 1 1   20   23   32 o   45.686   16.980   5.0967   5.5940   0.0000   0.0000   5.0967   5.5940  ?   ?    45.686   16.980      ?      ? 
1 1 1   20   23   33 o  209.381   6.8249  120.096   7.7219   0.0000   0.0000  120.096   7.7219  ?   ?   209.381   6.8249      ?      ? 
1 1 1   20   23   34 o   54.380   17.510   8.6905   5.8468   0.0000   0.0000   8.6905   5.8468  ?   ?    54.380   17.510      ?      ? 
1 1 1   20   23   35 o  209.540   8.9079  121.659   10.086   0.0000   0.0000  121.659   10.086  ?   ?   209.540   8.9079      ?      ? 
1 1 1   20   23   36 o  275.350   6.6497  208.020   9.8940   0.0000   0.0000  208.020   9.8940  ?   ?   275.350   6.6497      ?      ? 
1 1 1   20   23   37 o   63.738   14.633   10.244   5.0644   19.608   10.676   7.5256   5.7528   76.515   23.532   50.961   17.401 25.55474 29.26681 
1 1 1   20   23   38 o  179.095   8.1522   98.007   6.5309   79.189   12.945  104.431   7.5640  163.763   14.629  194.426   7.1996 -30.66310 16.30448 
1 1 1   20   23   39 o   73.563   13.874   18.722   5.4464   12.752   11.446   20.469   6.1923   63.431   24.134   83.695   13.692 -20.26371 27.74723 
1 1 1   20   23   40 o  246.768   13.489  176.757   17.987  176.757   17.987   0.0000   0.0000  246.768   13.489  ?   ?       ?      ? 
1 1 1   20   23   41 o   56.117   14.828   9.3240   6.0400   10.271   8.8259   8.4900   8.2836   57.886   21.365   54.348   20.566 3.538696 29.65547 
1 1 1   20   23   42 o   45.886   13.758   4.3567   5.9387   2.9471   8.8378   5.5172   8.0189   44.701   19.481   47.070   19.433 -2.369366 27.51610 
1 1 1   20   23   43 f   47.546   13.861   4.9203   5.7752   7.7146   8.6188   2.6433   7.7802   51.841   20.593   43.250   18.560 8.590763 27.72237 
1 1 1   20   23   44 f   55.654   13.935   10.020   5.7619   3.3104   8.4663   15.809   7.8642   44.669   19.267   66.639   20.137 -21.96941 27.86934 
1 1 1   20   24    0 o  174.595   12.053   83.517   11.372   0.0000   0.0000   83.517   11.372  ?   ?   174.595   12.053      ?      ? 
1 1 1   20   24    1 o  148.736   9.5840   60.870   7.6985   59.336   10.973   62.357   10.804  146.837   13.829  150.636   13.273 -3.799774 19.16804 
1 1 1   20   24    2 o  106.443   12.019   31.476   6.9102   31.457   9.6333   31.495   9.9180  106.453   16.747  106.433   17.245 0.2096558E-01 24.03823 
1 1 1   20   24    3 o  153.825   9.1265   65.084   7.5735   67.926   10.581   62.099   10.845  157.361   12.443  150.289   13.354 7.071747 18.25303 
1 1 1   20   24    4 o  178.792   8.4305   87.766   8.0519  105.347   11.603   71.438   11.183  196.295   10.939  161.289   12.831 35.00580 16.86095 
1 1 1   20   24    6 o  184.281   11.431   92.980   11.382   0.0000   0.0000   92.980   11.382  ?   ?   184.281   11.431      ?      ? 
1 1 1   20   24    7 o  277.778   9.6938  210.520   14.551   0.0000   0.0000  210.520   14.551  ?   ?   277.778   9.6938      ?      ? 
1 1 1   20   24    8 o  158.179   8.7444   68.734   7.4598   63.378   10.473   74.251   10.629  151.838   12.764  164.520   11.956 -12.68178 17.48881 
1 1 1   20   24    9 o  166.091   7.7336   73.820   6.8007   83.896   11.009   67.603   8.6479  174.902   11.649  157.279   10.175 17.62337 15.46711 
1 1 1   20   24   10 o  242.006   6.8723  156.708   8.7700  174.595   14.336  146.009   11.087  252.596   10.503  231.415   8.8659 21.18135 13.74451 
1 1 1   20   24   11 o   66.541   18.648   12.840   6.9741   0.0000   0.0000   12.840   6.9741  ?   ?    66.541   18.648      ?      ? 
1 1 1   20   24   12 o  149.331   9.0624   60.885   7.3127   0.0000   0.0000   60.885   7.3127  ?   ?   149.331   9.0624      ?      ? 
1 1 1   20   24   13 o  261.695   12.661  188.982   17.903   0.0000   0.0000  188.982   17.903  ?   ?   261.695   12.661      ?      ? 
1 1 1   20   24   14 o  132.775   10.168   48.305   7.2952   0.0000   0.0000   48.305   7.2952  ?   ?   132.775   10.168      ?      ? 
1 1 1   20   24   15 o   29.319   14.139  -9.9721   6.6952   0.0000   0.0000  -9.9721   6.6952  ?   ?    29.319   14.139      ?      ? 
1 1 1   20   24   16 o   73.771   16.901   15.877   6.5928   0.0000   0.0000   15.877   6.5928  ?   ?    73.771   16.901      ?      ? 
1 1 1   20   24   17 o  110.905   11.350   33.873   6.8018   0.0000   0.0000   33.873   6.8018  ?   ?   110.905   11.350      ?      ? 
1 1 1   20   24   18 o  236.213   7.4411  152.069   9.4979   0.0000   0.0000  152.069   9.4979  ?   ?   236.213   7.4411      ?      ? 
1 1 1   20   24   19 o   77.752   15.730   17.565   6.3819   0.0000   0.0000   17.565   6.3819  ?   ?    77.752   15.730      ?      ? 
1 1 1   20   24   20 o   37.038   16.250  -1.0222   6.2416   0.0000   0.0000  -1.0222   6.2416  ?   ?    37.038   16.250      ?      ? 
1 1 1   20   24   21 o  115.793   11.115   37.058   6.9547   0.0000   0.0000   37.058   6.9547  ?   ?   115.793   11.115      ?      ? 
1 1 1   20   24   22 o   53.792   18.048   7.9810   6.1870   0.0000   0.0000   7.9810   6.1870  ?   ?    53.792   18.048      ?      ? 
1 1 1   20   24   23 o  130.666   9.8269   47.044   6.9386   0.0000   0.0000   47.044   6.9386  ?   ?   130.666   9.8269      ?      ? 
1 1 1   20   24   24 o  147.684   11.001   60.488   8.7794   0.0000   0.0000   60.488   8.7794  ?   ?   147.684   11.001      ?      ? 
1 1 1   20   24   25 o  111.079   11.558   34.331   6.9377   0.0000   0.0000   34.331   6.9377  ?   ?   111.079   11.558      ?      ? 
1 1 1   20   24   26 f  228.190   7.0113  142.277   8.6453   0.0000   0.0000  142.277   8.6453  ?   ?   228.190   7.0113      ?      ? 
1 1 1   20   24   27 o  157.768   8.4463   68.431   7.2007   0.0000   0.0000   68.431   7.2007  ?   ?   157.768   8.4463      ?      ? 
1 1 1   20   24   28 o  179.074   10.436   89.106   10.098   0.0000   0.0000   89.106   10.098  ?   ?   179.074   10.436      ?      ? 
1 1 1   20   24   29 o  106.231   11.234   31.549   6.4486   0.0000   0.0000   31.549   6.4486  ?   ?   106.231   11.234      ?      ? 
1 1 1   20   24   30 o  115.438   10.173   37.093   6.3457   0.0000   0.0000   37.093   6.3457  ?   ?   115.438   10.173      ?      ? 
1 1 1   20   24   31 o   58.319   17.708   10.239   6.0709   0.0000   0.0000   10.239   6.0709  ?   ?    58.319   17.708      ?      ? 
1 1 1   20   24   32 o  183.104   11.138   93.957   11.020   0.0000   0.0000   93.957   11.020  ?   ?   183.104   11.138      ?      ? 
1 1 1   20   24   33 o  184.827   10.159   95.452   10.147   0.0000   0.0000   95.452   10.147  ?   ?   184.827   10.159      ?      ? 
1 1 1   20   24   34 o  165.994   7.8488   76.059   7.0402   0.0000   0.0000   76.059   7.0402  ?   ?   165.994   7.8488      ?      ? 
1 1 1   20   24   35 o   65.275   16.630   13.133   5.8823   0.0000   0.0000   13.133   5.8823  ?   ?    65.275   16.630      ?      ? 
1 1 1   20   24   36 o   54.807   17.588   9.3018   5.9027   0.0000   0.0000   9.3018   5.9027  ?   ?    54.807   17.588      ?      ? 
1 1 1   20   24   37 o   65.202   17.051   13.392   6.0756   0.0000   0.0000   13.392   6.0756  ?   ?    65.202   17.051      ?      ? 
1 1 1   20   24   38 o  104.882   13.532   32.630   6.1223   38.108   13.471   31.204   6.8731  105.424   24.163  104.341   12.190 1.082329 27.06424 
1 1 1   20   24   39 o  226.221   8.3089  152.253   8.9901  133.131   16.559  160.246   10.705  212.475   14.422  239.968   8.2557 -27.49287 16.61782 
1 1 1   20   24   40 o  102.540   12.990   34.418   5.8670   35.113   12.061   34.203   6.7150   97.058   23.294  108.022   11.504 -10.96413 25.97937 
1 1 1   20   24   41 o   97.958   14.351   32.948   7.1288   31.779   12.055   33.576   8.8402   91.928   24.007  103.989   15.732 -12.06171 28.70260 
1 1 1   20   24   42 o   77.001   14.351   20.902   6.1002   18.332   8.8001   23.279   8.4637   71.372   21.242   82.629   19.304 -11.25735 28.70291 
1 1 1   20   24   43 o   55.236   13.792   9.4995   6.1853  -1.6868   9.2888   18.411   8.2907   39.945   18.437   70.527   20.518 -30.58234 27.58476 
1 1 1   20   25    0 o  159.114   9.0728   69.800   7.7891   70.447   10.756   69.086   11.295  159.982   12.442  158.245   13.208 1.737061 18.14562 
1 1 1   20   25    1 o  121.294   11.304   41.307   7.3436   36.110   10.567   46.163   10.213  113.562   17.220  129.027   14.648 -15.46505 22.60730 
1 1 1   20   25    2 o   75.509   14.611   15.890   6.6946   6.6439   9.2143   26.228   9.7431   56.323   21.600   94.696   19.683 -38.37266 29.22272 
1 1 1   20   25    3 o   78.404   15.513   18.176   6.8475   16.656   9.7957   19.628   9.5758   75.387   22.405   81.420   21.461 -6.032936 31.02542 
1 1 1   20   25    4 o  151.171   13.272   63.145   10.842   0.0000   0.0000   63.145   10.842  ?   ?   151.171   13.272      ?      ? 
1 1 1   20   25    5 o  304.544   9.6395  253.643   15.863   0.0000   0.0000  253.643   15.863  ?   ?   304.544   9.6395      ?      ? 
1 1 1   20   25    7 o   42.596   13.295  -4.3268   6.4273   2.9649   8.8234 -12.5700   9.3814   49.743   20.443   35.449   17.002 14.29335 26.58921 
1 1 1   20   25    8 o  125.023   9.3162   41.620   6.1743   53.153   9.9309   34.353   7.8831  138.594   13.260  111.452   13.089 27.14111 18.63247 
1 1 1   20   25    9 o  176.560   7.8413   84.318   7.2018   90.653   12.111   80.852   8.9576  181.246   12.366  171.874   9.6447 9.371826 15.68258 
1 1 1   20   25   10 o   47.578   13.195   3.3743   5.2149  -1.2734   7.6613   7.3867   7.1184   41.040   18.004   54.115   19.295 -13.07471 26.39084 
1 1 1   20   25   11 o   73.107   17.715   15.668   6.9247   0.0000   0.0000   15.668   6.9247  ?   ?    73.107   17.715      ?      ? 
1 1 1   20   25   12 o   95.073   13.845   25.122   7.1128   0.0000   0.0000   25.122   7.1128  ?   ?    95.073   13.845      ?      ? 
1 1 1   20   25   13 o   71.232   17.495   14.900   6.6853   0.0000   0.0000   14.900   6.6853  ?   ?    71.232   17.495      ?      ? 
1 1 1   20   25   14 o  151.611   9.4475   63.010   7.7399   0.0000   0.0000   63.010   7.7399  ?   ?   151.611   9.4475      ?      ? 
1 1 1   20   25   15 f  134.118   10.494   49.525   7.6051   0.0000   0.0000   49.525   7.6051  ?   ?   134.118   10.494      ?      ? 
1 1 1   20   25   16 o  155.600   8.7231   66.317   7.3344   0.0000   0.0000   66.317   7.3344  ?   ?   155.600   8.7231      ?      ? 
1 1 1   20   25   17 f  158.436   9.6170   68.986   8.2335   0.0000   0.0000   68.986   8.2335  ?   ?   158.436   9.6170      ?      ? 
1 1 1   20   25   18 o   83.322   15.617   20.180   6.7731   0.0000   0.0000   20.180   6.7731  ?   ?    83.322   15.617      ?      ? 
1 1 1   20   25   19 o  229.919   7.1070  144.264   8.8298   0.0000   0.0000  144.264   8.8298  ?   ?   229.919   7.1070      ?      ? 
1 1 1   20   25   20 o   76.273   17.068   17.270   6.8591   0.0000   0.0000   17.270   6.8591  ?   ?    76.273   17.068      ?      ? 
1 1 1   20   25   21 o  201.561   10.128  112.258   11.031   0.0000   0.0000  112.258   11.031  ?   ?   201.561   10.128      ?      ? 
1 1 1   20   25   22 o  205.752   8.6873  116.314   9.6587   0.0000   0.0000  116.314   9.6587  ?   ?   205.752   8.6873      ?      ? 
1 1 1   20   25   23 o   44.223   17.581   3.5157   6.2867   0.0000   0.0000   3.5157   6.2867  ?   ?    44.223   17.581      ?      ? 
1 1 1   20   25   24 o   65.611   17.447   12.942   6.2927   0.0000   0.0000   12.942   6.2927  ?   ?    65.611   17.447      ?      ? 
1 1 1   20   25   25 o   42.109   18.012   0.8664   7.2858   0.0000   0.0000   0.8664   7.2858  ?   ?    42.109   18.012      ?      ? 
1 1 1   20   25   26 o   32.361   14.914  -3.9146   6.0458   0.0000   0.0000  -3.9146   6.0458  ?   ?    32.361   14.914      ?      ? 
1 1 1   20   25   27 o  138.169   9.2564   52.851   6.9110   0.0000   0.0000   52.851   6.9110  ?   ?   138.169   9.2564      ?      ? 
1 1 1   20   25   28 o   46.131   17.729   4.8268   6.2162   0.0000   0.0000   4.8268   6.2162  ?   ?    46.131   17.729      ?      ? 
1 1 1   20   25   29 o  133.990   9.4381   49.790   6.8335   0.0000   0.0000   49.790   6.8335  ?   ?   133.990   9.4381      ?      ? 
1 1 1   20   25   30 o   31.044   14.519  -5.0560   6.0629   0.0000   0.0000  -5.0560   6.0629  ?   ?    31.044   14.519      ?      ? 
1 1 1   20   25   31 o  145.938   8.7917   59.074   6.9331   0.0000   0.0000   59.074   6.9331  ?   ?   145.938   8.7917      ?      ? 
1 1 1   20   25   32 o  110.466   10.569   34.266   6.3087   0.0000   0.0000   34.266   6.3087  ?   ?   110.466   10.569      ?      ? 
1 1 1   20   25   33 o   58.296   17.198   10.510   5.7888   0.0000   0.0000   10.510   5.7888  ?   ?    58.296   17.198      ?      ? 
1 1 1   20   25   34 o  106.770   10.995   32.465   6.3435   0.0000   0.0000   32.465   6.3435  ?   ?   106.770   10.995      ?      ? 
1 1 1   20   25   35 o   97.030   11.893   26.977   6.2359   0.0000   0.0000   26.977   6.2359  ?   ?    97.030   11.893      ?      ? 
1 1 1   20   25   36 o  118.299   10.381   39.471   6.6362   0.0000   0.0000   39.471   6.6362  ?   ?   118.299   10.381      ?      ? 
1 1 1   20   25   37 o   52.380   18.216   8.2524   6.3153   0.0000   0.0000   8.2524   6.3153  ?   ?    52.380   18.216      ?      ? 
1 1 1   20   25   38 o   82.059   14.991   21.225   6.4022   0.0000   0.0000   21.225   6.4022  ?   ?    82.059   14.991      ?      ? 
1 1 1   20   25   39 o  112.204   11.859   39.552   5.8515   40.383   11.897   39.286   6.7207  107.761   21.186  116.647   10.662 -8.885864 23.71735 
1 1 1   20   25   40 o   39.070   11.802   0.0166   5.1638 -21.0315   10.978   5.9967   5.8515   32.275   16.055   45.865   17.302 -13.58954 23.60380 
1 1 1   20   25   41 o   40.819   12.712   2.0416   5.2095  -3.2297   10.450   3.7849   6.0096   40.647   19.027   40.991   16.862 -0.3440170 25.42331 
1 1 1   20   26    0 o  118.041   12.118   39.549   7.4164   30.794   10.129   49.666   10.889  102.702   18.950  133.380   15.107 -30.67773 24.23517 
1 1 1   20   26    1 o   43.227   13.704  -3.8749   6.6655  -6.8609   9.1159  -0.4443   9.7711   39.111   18.126   47.344   20.559 -8.232307 27.40851 
1 1 1   20   26    2 o  167.575   12.254   77.554   11.097   0.0000   0.0000   77.554   11.097  ?   ?   167.575   12.254      ?      ? 
1 1 1   20   26    3 o  134.893   10.086   50.861   7.3177   55.119   10.211   46.364   10.493  140.954   13.406  128.832   15.072 12.12202 20.17139 
1 1 1   20   26    4 o   40.778   18.594  -4.8975   9.0672  -4.8975   9.0672   0.0000   0.0000   40.778   18.594  ?   ?       ?      ? 
1 1 1   20   26    5 o  102.726   12.978   30.763   6.9661   34.115   9.5403   26.935   10.195  110.211   16.020   95.241   20.423 14.97051 25.95655 
1 1 1   20   26    6 o   82.767   14.806   20.640   6.5963   21.705   8.6975   19.198   10.120   85.630   19.263   79.903   22.489 5.726646 29.61110 
1 1 1   20   26    7 o   96.082   13.081   27.498   6.5260   31.780   8.7273   22.066   9.8289  106.489   15.167   85.676   21.317 20.81269 26.16164 
1 1 1   20   26    8 o   75.568   12.747   17.740   5.6483   6.9685   8.7067   25.567   7.4221   55.497   21.065   95.638   14.362 -40.14015 25.49472 
1 1 1   20   26    9 o  168.207   8.0432   75.935   7.0440   86.441   11.946   70.335   8.7214  176.477   12.527  159.936   10.091 16.54073 16.08631 
1 1 1   20   26   10 o  181.877   8.8670   90.636   8.7144   0.0000   0.0000   90.636   8.7144  ?   ?   181.877   8.8670      ?      ? 
1 1 1   20   26   11 o   68.209   18.145   13.799   6.8046   0.0000   0.0000   13.799   6.8046  ?   ?    68.209   18.145      ?      ? 
1 1 1   20   26   12 o   43.725   18.061   2.1677   6.9314   0.0000   0.0000   2.1677   6.9314  ?   ?    43.725   18.061      ?      ? 
1 1 1   20   26   13 o  219.386   8.1082  131.661   9.6122   0.0000   0.0000  131.661   9.6122  ?   ?   219.386   8.1082      ?      ? 
1 1 1   20   26   14 o  136.496   10.825   51.493   7.9840   0.0000   0.0000   51.493   7.9840  ?   ?   136.496   10.825      ?      ? 
1 1 1   20   26   15 o  182.052   9.0034   91.040   8.8571   0.0000   0.0000   91.040   8.8571  ?   ?   182.052   9.0034      ?      ? 
1 1 1   20   26   16 o   99.700   12.806   27.808   6.8993   0.0000   0.0000   27.808   6.8993  ?   ?    99.700   12.806      ?      ? 
1 1 1   20   26   17 o   48.958   18.157   5.7831   6.3895   0.0000   0.0000   5.7831   6.3895  ?   ?    48.958   18.157      ?      ? 
1 1 1   20   26   18 o   66.418   17.685   13.200   6.4602   0.0000   0.0000   13.200   6.4602  ?   ?    66.418   17.685      ?      ? 
1 1 1   20   26   19 o   41.706   17.336   1.8508   6.4444   0.0000   0.0000   1.8508   6.4444  ?   ?    41.706   17.336      ?      ? 
1 1 1   20   26   20 o  177.458   8.3495   86.514   8.0066   0.0000   0.0000   86.514   8.0066  ?   ?   177.458   8.3495      ?      ? 
1 1 1   20   26   21 o   90.254   13.549   23.032   6.6079   0.0000   0.0000   23.032   6.6079  ?   ?    90.254   13.549      ?      ? 
1 1 1   20   26   22 o  107.005   11.661   32.049   6.7425   0.0000   0.0000   32.049   6.7425  ?   ?   107.005   11.661      ?      ? 
1 1 1   20   26   23 o   99.140   12.341   27.673   6.6113   0.0000   0.0000   27.673   6.6113  ?   ?    99.140   12.341      ?      ? 
1 1 1   20   26   24 f  136.913   9.6311   52.009   7.1254   0.0000   0.0000   52.009   7.1254  ?   ?   136.913   9.6311      ?      ? 
1 1 1   20   26   25 o   99.842   14.276   28.573   7.7019   0.0000   0.0000   28.573   7.7019  ?   ?    99.842   14.276      ?      ? 
1 1 1   20   26   26 o  116.691   12.803   38.581   8.0733   0.0000   0.0000   38.581   8.0733  ?   ?   116.691   12.803      ?      ? 
1 1 1   20   26   27 o   95.311   12.805   25.782   6.5949   0.0000   0.0000   25.782   6.5949  ?   ?    95.311   12.805      ?      ? 
1 1 1   20   26   28 o   63.007   17.866   12.261   6.3627   0.0000   0.0000   12.261   6.3627  ?   ?    63.007   17.866      ?      ? 
1 1 1   20   26   29 o  149.661   9.0217   62.249   7.2960   0.0000   0.0000   62.249   7.2960  ?   ?   149.661   9.0217      ?      ? 
1 1 1   20   26   30 o   69.464   17.806   15.059   6.7147   0.0000   0.0000   15.059   6.7147  ?   ?    69.464   17.806      ?      ? 
1 1 1   20   26   31 o   98.264   12.415   27.801   6.5924   0.0000   0.0000   27.801   6.5924  ?   ?    98.264   12.415      ?      ? 
1 1 1   20   26   32 o   82.179   15.344   20.622   6.5631   0.0000   0.0000   20.622   6.5631  ?   ?    82.179   15.344      ?      ? 
1 1 1   20   26   33 o   33.155   15.347  -3.9546   6.5041   0.0000   0.0000  -3.9546   6.5041  ?   ?    33.155   15.347      ?      ? 
1 1 1   20   26   34 o  106.920   12.134   32.744   7.0108   0.0000   0.0000   32.744   7.0108  ?   ?   106.920   12.134      ?      ? 
1 1 1   20   26   35 o   90.589   13.926   24.271   6.8169   0.0000   0.0000   24.271   6.8169  ?   ?    90.589   13.926      ?      ? 
1 1 1   20   26   36 o  126.208   9.7891   45.814   6.6760   0.0000   0.0000   45.814   6.6760  ?   ?   126.208   9.7891      ?      ? 
1 1 1   20   26   37 o   95.362   12.859   26.952   6.6263   0.0000   0.0000   26.952   6.6263  ?   ?    95.362   12.859      ?      ? 
1 1 1   20   26   38 f  153.197   8.3147   66.162   6.8831   0.0000   0.0000   66.162   6.8831  ?   ?   153.197   8.3147      ?      ? 
1 1 1   20   26   39 o   78.188   15.219   19.725   6.1986   0.0000   0.0000   19.725   6.1986  ?   ?    78.188   15.219      ?      ? 
1 1 1   20   27    0 o  274.395   22.613  222.658   33.530  222.658   33.530   0.0000   0.0000  274.395   22.613  ?   ?       ?      ? 
1 1 1   20   27    1 o   45.264   14.250  -2.4035   7.0340  -3.4673   9.8232  -1.2840   10.077   43.829   19.732   46.699   20.564 -2.870094 28.49925 
1 1 1   20   27    2 o  133.766   10.438   50.286   7.5419   49.725   10.504   50.883   10.835  133.049   14.611  134.483   14.910 -1.433701 20.87516 
1 1 1   20   27    3 o   97.228   13.850   28.966   7.1598   41.711   10.053   15.848   10.199  121.624   15.297   72.832   23.092 48.79202 27.69923 
1 1 1   20   27    4 o   92.975   14.391   26.058   7.0393   28.962   9.9213   23.113   9.9892   98.728   19.289   87.223   21.364 11.50520 28.78279 
1 1 1   20   27    5 o  178.292   8.5068   88.568   8.1542   97.857   11.476   79.097   11.588  188.051   11.294  168.532   12.724 19.51857 17.01356 
1 1 1   20   27    6 o   64.616   16.062   11.465   6.9593   9.9224   9.5477   13.214   10.165   61.415   22.290   67.817   23.132 -6.402294 32.12334 
1 1 1   20   27    7 o  144.389   9.4947   57.668   7.2497   61.486   11.651   55.255   9.2611  147.801   14.588  140.977   12.157 6.824371 18.98933 
1 1 1   20   27    8 o   99.543   12.047   28.853   6.1194   28.176   9.8752   29.276   7.7968   97.030   19.511  102.056   14.138 -5.025558 24.09469 
1 1 1   20   27    9 o  106.255   13.482   31.663   7.7409   0.0000   0.0000   31.663   7.7409  ?   ?   106.255   13.482      ?      ? 
1 1 1   20   27   10 o  142.511   10.033   56.063   7.7265   0.0000   0.0000   56.063   7.7265  ?   ?   142.511   10.033      ?      ? 
1 1 1   20   27   11 o  143.055   10.500   56.635   8.1168   0.0000   0.0000   56.635   8.1168  ?   ?   143.055   10.500      ?      ? 
1 1 1   20   27   12 o   86.904   15.602   22.056   7.0575   0.0000   0.0000   22.056   7.0575  ?   ?    86.904   15.602      ?      ? 
1 1 1   20   27   13 o   84.617   16.519   21.117   7.2822   0.0000   0.0000   21.117   7.2822  ?   ?    84.617   16.519      ?      ? 
1 1 1   20   27   14 o  202.922   8.0374  112.894   8.8131   0.0000   0.0000  112.894   8.8131  ?   ?   202.922   8.0374      ?      ? 
1 1 1   20   27   15 o   99.207   13.602   27.753   7.2917   0.0000   0.0000   27.753   7.2917  ?   ?    99.207   13.602      ?      ? 
1 1 1   20   27   16 o  196.865   8.1296  106.417   8.6482   0.0000   0.0000  106.417   8.6482  ?   ?   196.865   8.1296      ?      ? 
1 1 1   20   27   17 o  226.125   9.9829  141.681   12.198   0.0000   0.0000  141.681   12.198  ?   ?   226.125   9.9829      ?      ? 
1 1 1   20   27   18 o  168.098   9.1200   78.030   8.2842   0.0000   0.0000   78.030   8.2842  ?   ?   168.098   9.1200      ?      ? 
1 1 1   20   27   19 o  120.710   11.160   40.717   7.2792   0.0000   0.0000   40.717   7.2792  ?   ?   120.710   11.160      ?      ? 
1 1 1   20   27   20 o   27.993   13.551  -9.4331   6.2954   0.0000   0.0000  -9.4331   6.2954  ?   ?    27.993   13.551      ?      ? 
1 1 1   20   27   21 o  118.337   10.932   39.178   6.9905   0.0000   0.0000   39.178   6.9905  ?   ?   118.337   10.932      ?      ? 
1 1 1   20   27   22 f  120.708   10.708   40.716   6.9843   0.0000   0.0000   40.716   6.9843  ?   ?   120.708   10.708      ?      ? 
1 1 1   20   27   23 o   74.302   16.453   16.649   6.4315   0.0000   0.0000   16.649   6.4315  ?   ?    74.302   16.453      ?      ? 
1 1 1   20   27   24 o   45.454   17.798   4.4049   6.3538   0.0000   0.0000   4.4049   6.3538  ?   ?    45.454   17.798      ?      ? 
1 1 1   20   27   25 o   67.949   17.666   14.294   6.5466   0.0000   0.0000   14.294   6.5466  ?   ?    67.949   17.666      ?      ? 
1 1 1   20   27   27 o  177.605   9.0173   87.747   8.6540   0.0000   0.0000   87.747   8.6540  ?   ?   177.605   9.0173      ?      ? 
1 1 1   20   27   28 o   29.148   14.058  -8.7632   6.6236   0.0000   0.0000  -8.7632   6.6236  ?   ?    29.148   14.058      ?      ? 
1 1 1   20   27   29 o   42.637   17.673   2.9839   6.6701   0.0000   0.0000   2.9839   6.6701  ?   ?    42.637   17.673      ?      ? 
1 1 1   20   27   30 f   94.833   14.069   26.338   7.2096   0.0000   0.0000   26.338   7.2096  ?   ?    94.833   14.069      ?      ? 
1 1 1   20   27   31 o  105.709   16.946   33.724   9.6799   0.0000   0.0000   33.724   9.6799  ?   ?   105.709   16.946      ?      ? 
1 1 1   20   27   32 f   40.905   17.359   1.8268   6.6719   0.0000   0.0000   1.8268   6.6719  ?   ?    40.905   17.359      ?      ? 
1 1 1   20   27   33 o  100.018   12.594   29.587   6.8063   0.0000   0.0000   29.587   6.8063  ?   ?   100.018   12.594      ?      ? 
1 1 1   20   27   34 o   48.311   18.003   7.1684   6.2960   0.0000   0.0000   7.1684   6.2960  ?   ?    48.311   18.003      ?      ? 
1 1 1   20   27   35 o   86.948   14.253   22.814   6.6966   0.0000   0.0000   22.814   6.6966  ?   ?    86.948   14.253      ?      ? 
1 1 1   20   27   36 o  107.193   12.139   34.130   7.0315   0.0000   0.0000   34.130   7.0315  ?   ?   107.193   12.139      ?      ? 
1 1 1   20   27   37 o   54.611   18.119   10.308   6.2386   0.0000   0.0000   10.308   6.2386  ?   ?    54.611   18.119      ?      ? 
1 1 1   20   28    0 o  128.135   17.706   50.341   9.8652   49.725   11.113   52.635   21.432  132.158   15.561  124.112   31.810 8.047012 35.41169 
1 1 1   20   28    1 o  124.912   24.803   55.461   17.342   59.234   26.098   52.477   23.207  127.776   36.167  122.047   33.951 5.729233 49.60547 
1 1 1   20   28    2 o   80.183   22.726   8.0459   16.793   37.162   25.023 -15.8108   22.651  102.175   36.204   58.190   27.479 43.98499 45.45170 
1 1 1   20   28    3 o   83.501   22.623   9.1102   16.313   44.865   25.506 -15.6374   21.220  110.789   36.630   56.213   26.561 54.57644 45.24653 
1 1 1   20   28    4 o   99.804   21.247   32.884   10.814   30.856   26.201   33.301   11.873   95.508   36.472  104.099   21.805 -8.590515 42.49309 
1 1 1   20   28    5 o   65.170   15.673   11.347   7.1639   3.4908   10.229   18.911   10.036   52.250   21.790   78.091   22.534 -25.84035 31.34657 
1 1 1   20   28    6 o   42.064   12.768  -1.2281   5.6681  -9.6351   8.8481   4.6230   7.3816   35.610   16.921   48.517   19.125 -12.90698 25.53650 
1 1 1   20   28    7 o   89.958   13.397   24.751   6.3075   20.556   9.8480   27.669   8.2132   81.377   21.909   98.540   15.424 -17.16315 26.79402 
1 1 1   20   28    8 o   64.545   14.636   12.434   5.8160   10.759   8.5925   13.850   7.9012   61.458   21.255   67.632   20.127 -6.174107 29.27295 
1 1 1   20   28    9 o   83.461   15.741   20.486   6.8389   0.0000   0.0000   20.486   6.8389  ?   ?    83.461   15.741      ?      ? 
1 1 1   20   28   10 o   42.886   17.844   2.0551   6.8372   0.0000   0.0000   2.0551   6.8372  ?   ?    42.886   17.844      ?      ? 
1 1 1   20   28   11 o   77.783   17.004   18.125   6.9475   0.0000   0.0000   18.125   6.9475  ?   ?    77.783   17.004      ?      ? 
1 1 1   20   28   12 o  173.965   9.3518   83.636   8.7911   0.0000   0.0000   83.636   8.7911  ?   ?   173.965   9.3518      ?      ? 
1 1 1   20   28   13 o   86.459   15.913   22.110   7.1606   0.0000   0.0000   22.110   7.1606  ?   ?    86.459   15.913      ?      ? 
1 1 1   20   28   14 o   99.071   13.845   27.918   7.4119   0.0000   0.0000   27.918   7.4119  ?   ?    99.071   13.845      ?      ? 
1 1 1   20   28   15 o  114.820   11.977   37.070   7.4310   0.0000   0.0000   37.070   7.4310  ?   ?   114.820   11.977      ?      ? 
1 1 1   20   28   16 o  159.016   9.4017   70.091   8.0786   0.0000   0.0000   70.091   8.0786  ?   ?   159.016   9.4017      ?      ? 
1 1 1   20   28   17 o   49.104   18.839   5.6573   7.0111   0.0000   0.0000   5.6573   7.0111  ?   ?    49.104   18.839      ?      ? 
1 1 1   20   28   18 o   36.281   16.392  -2.5484   6.8502   0.0000   0.0000  -2.5484   6.8502  ?   ?    36.281   16.392      ?      ? 
1 1 1   20   28   19 o   34.656   15.888  -3.6824   6.7374   0.0000   0.0000  -3.6824   6.7374  ?   ?    34.656   15.888      ?      ? 
1 1 1   20   28   20 o  128.458   10.597   46.146   7.3558   0.0000   0.0000   46.146   7.3558  ?   ?   128.458   10.597      ?      ? 
1 1 1   20   28   21 o   40.858   17.320   1.4532   6.6300   0.0000   0.0000   1.4532   6.6300  ?   ?    40.858   17.320      ?      ? 
1 1 1   20   28   22 o   68.194   18.263   14.524   6.8647   0.0000   0.0000   14.524   6.8647  ?   ?    68.194   18.263      ?      ? 
1 1 1   20   28   23 o   54.209   21.429   7.0579   9.2912   0.0000   0.0000   7.0579   9.2912  ?   ?    54.209   21.429      ?      ? 
1 1 1   20   28   24 o   45.756   18.195   4.4387   6.7354   0.0000   0.0000   4.4387   6.7354  ?   ?    45.756   18.195      ?      ? 
1 1 1   20   28   25 o   40.378   17.360   1.2123   6.8303   0.0000   0.0000   1.2123   6.8303  ?   ?    40.378   17.360      ?      ? 
1 1 1   20   28   26 o   38.191   17.345  -2.3075   7.7894   0.0000   0.0000  -2.3075   7.7894  ?   ?    38.191   17.345      ?      ? 
1 1 1   20   28   27 o   34.020   16.313  -9.6323   8.6280   0.0000   0.0000  -9.6323   8.6280  ?   ?    34.020   16.313      ?      ? 
1 1 1   20   28   28 o   58.084   23.613   8.5018   11.613   0.0000   0.0000   8.5018   11.613  ?   ?    58.084   23.613      ?      ? 
1 1 1   20   28   29 o   42.049   17.911   1.8528   7.1497   0.0000   0.0000   1.8528   7.1497  ?   ?    42.049   17.911      ?      ? 
1 1 1   20   28   30 o   45.959   18.416   5.1185   6.9522   0.0000   0.0000   5.1185   6.9522  ?   ?    45.959   18.416      ?      ? 
1 1 1   20   28   31 o  124.153   11.224   45.209   7.5302   0.0000   0.0000   45.209   7.5302  ?   ?   124.153   11.224      ?      ? 
1 1 1   20   28   32 o   62.686   18.665   13.225   6.7934   0.0000   0.0000   13.225   6.7934  ?   ?    62.686   18.665      ?      ? 
1 1 1   20   28   33 o   51.709   18.809   8.4802   6.8043   0.0000   0.0000   8.4802   6.8043  ?   ?    51.709   18.809      ?      ? 
1 1 1   20   28   34 o   41.246   17.505   3.1339   6.7848   0.0000   0.0000   3.1339   6.7848  ?   ?    41.246   17.505      ?      ? 
1 1 1   20   29    0 o   62.133   14.503   5.1522   6.9493  -7.3526   8.9692   23.933   10.992   37.559   17.596   86.706   23.060 -49.14758 29.00659 
1 1 1   20   29    1 o   87.383   15.453   24.110   7.2512   25.008   9.6420   22.940   11.001   89.997   20.309   84.770   23.297 5.227348 30.90647 
1 1 1   20   29    2 o  114.224   12.004   38.067   7.3724   40.270   10.167   35.624   10.706  118.210   15.916  110.238   17.973 7.972000 24.00741 
1 1 1   20   29    3 o  122.180   12.171   44.747   7.6106   53.486   10.499   35.072   11.048  137.098   14.172  107.263   19.790 29.83482 24.34102 
1 1 1   20   29    4 o  122.507   18.982   46.778   9.9990   45.333   11.071   53.176   23.296  125.122   16.374  119.892   34.252 5.229576 37.96452 
1 1 1   20   29    5 o   67.773   20.976  -2.2703   16.880 -40.1576   27.608   20.349   21.332   54.196   26.684   81.349   32.371 -27.15248 41.95124 
1 1 1   20   29    6 o  127.606   18.152   47.977   12.516   0.0000   0.0000   47.977   12.516  ?   ?   127.606   18.152      ?      ? 
1 1 1   20   29    7 o   57.112   23.343   6.3397   11.426   0.0000   0.0000   6.3397   11.426  ?   ?    57.112   23.343      ?      ? 
1 1 1   20   29    9 o   68.553   20.818   14.630   8.3900   0.0000   0.0000   14.630   8.3900  ?   ?    68.553   20.818      ?      ? 
1 1 1   20   29   10 o   56.258   19.581   9.0534   7.2980   0.0000   0.0000   9.0534   7.2980  ?   ?    56.258   19.581      ?      ? 
1 1 1   20   29   11 o  117.662   12.083   39.036   7.6823   0.0000   0.0000   39.036   7.6823  ?   ?   117.662   12.083      ?      ? 
1 1 1   20   29   12 o   41.240   17.804   0.5119   7.2427   0.0000   0.0000   0.5119   7.2427  ?   ?    41.240   17.804      ?      ? 
1 1 1   20   29   13 o  169.466   9.0081   79.463   8.2491   0.0000   0.0000   79.463   8.2491  ?   ?   169.466   9.0081      ?      ? 
1 1 1   20   29   14 o   76.850   18.351   18.170   7.5154   0.0000   0.0000   18.170   7.5154  ?   ?    76.850   18.351      ?      ? 
1 1 1   20   29   15 o  109.481   12.710   34.009   7.5192   0.0000   0.0000   34.009   7.5192  ?   ?   109.481   12.710      ?      ? 
1 1 1   20   29   16 o   36.750   16.523  -2.0379   6.8620   0.0000   0.0000  -2.0379   6.8620  ?   ?    36.750   16.523      ?      ? 
1 1 1   20   29   17 o   50.665   18.938   6.7055   6.9780   0.0000   0.0000   6.7055   6.9780  ?   ?    50.665   18.938      ?      ? 
1 1 1   20   29   18 o   62.205   19.320   12.051   7.1769   0.0000   0.0000   12.051   7.1769  ?   ?    62.205   19.320      ?      ? 
1 1 1   20   29   19 o  154.477   9.6067   66.590   8.0190   0.0000   0.0000   66.590   8.0190  ?   ?   154.477   9.6067      ?      ? 
1 1 1   20   29   20 f   83.888   16.658   21.553   7.2848   0.0000   0.0000   21.553   7.2848  ?   ?    83.888   16.658      ?      ? 
1 1 1   20   29   21 f   38.971   17.035   0.2291   6.8029   0.0000   0.0000   0.2291   6.8029  ?   ?    38.971   17.035      ?      ? 
1 1 1   20   29   22 f   34.540   15.909  -3.4772   6.8649   0.0000   0.0000  -3.4772   6.8649  ?   ?    34.540   15.909      ?      ? 
1 1 1   20   29   23 o   42.808   17.922   2.6473   6.9574   0.0000   0.0000   2.6473   6.9574  ?   ?    42.808   17.922      ?      ? 
1 1 1   20   29   24 o   52.491   19.118   7.8992   7.0325   0.0000   0.0000   7.8992   7.0325  ?   ?    52.491   19.118      ?      ? 
1 1 1   20   29   25 o   64.597   21.288   13.522   8.6176   0.0000   0.0000   13.522   8.6176  ?   ?    64.597   21.288      ?      ? 
1 1 1   20   29   26 o   30.995   14.788  -7.3559   6.9000   0.0000   0.0000  -7.3559   6.9000  ?   ?    30.995   14.788      ?      ? 
1 1 1   20   29   27 o   59.956   20.568   12.342   8.0382   0.0000   0.0000   12.342   8.0382  ?   ?    59.956   20.568      ?      ? 
1 1 1   20   29   28 o   64.737   19.852   14.936   7.6047   0.0000   0.0000   14.936   7.6047  ?   ?    64.737   19.852      ?      ? 
1 1 1   20   29   29 o   78.610   17.573   20.224   7.2773   0.0000   0.0000   20.224   7.2773  ?   ?    78.610   17.573      ?      ? 
1 1 1   20   29   30 f  104.358   13.118   32.474   7.3972   0.0000   0.0000   32.474   7.3972  ?   ?   104.358   13.118      ?      ? 
1 1 1   20   29   31 o   94.514   14.172   27.600   7.2379   0.0000   0.0000   27.600   7.2379  ?   ?    94.514   14.172      ?      ? 
1 1 1   20   30    0 o  170.223   9.3944   82.489   8.6325   85.220   12.096   79.655   12.323  173.332   12.915  167.115   13.647 6.217026 18.78872 
1 1 1   20   30    1 o   97.305   14.831   29.826   7.5463   30.800   10.237   28.666   11.168   99.890   19.665   94.719   22.206 5.171158 29.66154 
1 1 1   20   30    3 o  204.504   12.319  118.090   13.613   0.0000   0.0000  118.090   13.613  ?   ?   204.504   12.319      ?      ? 
1 1 1   20   30    4 o  114.406   12.068   37.871   7.3838   34.727   9.6413   42.332   11.483  109.120   16.351  119.692   17.754 -10.57162 24.13631 
1 1 1   20   30    5 o  121.652   10.722   41.686   6.9587   51.757   10.804   34.546   9.0970  134.030   14.917  109.274   15.406 24.75568 21.44467 
1 1 1   20   30    6 o  223.699   7.4823  139.098   8.7561  142.432   14.352  137.122   11.051  224.930   11.808  222.469   9.1926 2.460587 14.96469 
1 1 1   20   30    7 o  173.591   10.044   83.931   9.4211   0.0000   0.0000   83.931   9.4211  ?   ?   173.591   10.044      ?      ? 
1 1 1   20   30    8 o   47.570   19.410   3.9450   7.8822   0.0000   0.0000   3.9450   7.8822  ?   ?    47.570   19.410      ?      ? 
1 1 1   20   30    9 o  173.417   13.227   85.911   12.395   0.0000   0.0000   85.911   12.395  ?   ?   173.417   13.227      ?      ? 
1 1 1   20   30   10 o   86.638   22.948   24.739   10.914   0.0000   0.0000   24.739   10.914  ?   ?    86.638   22.948      ?      ? 
1 1 1   20   30   11 o  117.171   18.406   41.460   11.654   0.0000   0.0000   41.460   11.654  ?   ?   117.171   18.406      ?      ? 
1 1 1   20   30   12 o   79.505   24.707   21.421   11.735   0.0000   0.0000   21.421   11.735  ?   ?    79.505   24.707      ?      ? 
1 1 1   20   30   13 o   89.768   23.833   27.043   11.754   0.0000   0.0000   27.043   11.754  ?   ?    89.768   23.833      ?      ? 
1 1 1   20   30   14 o   68.444   24.014   15.128   10.986   0.0000   0.0000   15.128   10.986  ?   ?    68.444   24.014      ?      ? 
1 1 1   20   30   15 o   36.756   16.931  -4.0173   7.7756   0.0000   0.0000  -4.0173   7.7756  ?   ?    36.756   16.931      ?      ? 
1 1 1   20   30   16 o   49.406   19.325   6.0281   7.4858   0.0000   0.0000   6.0281   7.4858  ?   ?    49.406   19.325      ?      ? 
1 1 1   20   30   17 o   91.949   15.285   25.228   7.5948   0.0000   0.0000   25.228   7.5948  ?   ?    91.949   15.285      ?      ? 
1 1 1   20   30   18 o  107.425   13.096   33.559   7.6024   0.0000   0.0000   33.559   7.6024  ?   ?   107.425   13.096      ?      ? 
1 1 1   20   30   19 o   36.908   16.853  -2.9086   7.4799   0.0000   0.0000  -2.9086   7.4799  ?   ?    36.908   16.853      ?      ? 
1 1 1   20   30   20 o  137.516   11.831   54.040   8.7917   0.0000   0.0000   54.040   8.7917  ?   ?   137.516   11.831      ?      ? 
1 1 1   20   30   21 o  138.807   10.793   54.527   8.0954   0.0000   0.0000   54.527   8.0954  ?   ?   138.807   10.793      ?      ? 
1 1 1   20   30   22 o   53.567   19.624   8.3863   7.4250   0.0000   0.0000   8.3863   7.4250  ?   ?    53.567   19.624      ?      ? 
1 1 1   20   30   23 o   43.378   18.404   2.8575   7.4964   0.0000   0.0000   2.8575   7.4964  ?   ?    43.378   18.404      ?      ? 
1 1 1   20   30   24 o   41.903   17.803   3.0306   7.0300   0.0000   0.0000   3.0306   7.0300  ?   ?    41.903   17.803      ?      ? 
1 1 1   20   30   25 o   42.071   17.900   2.8675   7.1252   0.0000   0.0000   2.8675   7.1252  ?   ?    42.071   17.900      ?      ? 
1 1 1   20   30   26 o   79.142   17.855   20.559   7.4543   0.0000   0.0000   20.559   7.4543  ?   ?    79.142   17.855      ?      ? 
1 1 1   20   30   27 o   35.562   16.338  -2.4217   7.1776   0.0000   0.0000  -2.4217   7.1776  ?   ?    35.562   16.338      ?      ? 
1 1 1   20   30   28 o   46.251   19.950   4.4398   9.0779   0.0000   0.0000   4.4398   9.0779  ?   ?    46.251   19.950      ?      ? 
1 1 1   20   31    0 o  171.566   9.4295   83.680   8.6994   75.220   11.655   94.323   13.072  161.878   13.324  181.255   13.346 -19.37642 18.85908 
1 1 1   20   31    1 o  200.764   8.5568  114.988   9.2347  125.174   12.889  104.244   13.237  210.547   11.329  190.982   12.827 19.56557 17.11354 
1 1 1   20   31    2 o   72.380   16.458   16.275   7.4119   11.057   9.7086   23.564   11.476   61.158   22.434   83.602   24.088 -22.44382 32.91658 
1 1 1   20   31    3 o  185.381   13.342   98.678   13.365   0.0000   0.0000   98.678   13.365  ?   ?   185.381   13.342      ?      ? 
1 1 1   20   31    4 o   55.340   14.478   7.4980   6.4048  -1.2836   9.8764   13.872   8.4140   44.622   19.960   66.058   20.977 -21.43560 28.95570 
1 1 1   20   31    5 o  193.987   8.0510  104.608   8.2374  114.685   13.404   98.494   10.442  200.589   12.367  187.384   10.312 13.20503 16.10196 
1 1 1   20   31    6 o   45.957   13.288   1.1158   5.9329  -8.1351   8.7129   9.1133   8.1012   35.641   16.894   56.273   20.516 -20.63191 26.57616 
1 1 1   20   31    7 o   84.480   17.380   22.064   7.6693   0.0000   0.0000   22.064   7.6693  ?   ?    84.480   17.380      ?      ? 
1 1 1   20   31    8 o   78.544   18.287   19.491   7.6165   0.0000   0.0000   19.491   7.6165  ?   ?    78.544   18.287      ?      ? 
1 1 1   20   31    9 o   77.222   19.192   19.238   7.9737   0.0000   0.0000   19.238   7.9737  ?   ?    77.222   19.192      ?      ? 
1 1 1   20   31   10 o   55.032   20.348   8.9363   8.0129   0.0000   0.0000   8.9363   8.0129  ?   ?    55.032   20.348      ?      ? 
1 1 1   20   31   11 o   71.250   19.471   16.624   7.7098   0.0000   0.0000   16.624   7.7098  ?   ?    71.250   19.471      ?      ? 
1 1 1   20   31   12 o   35.457   16.488  -4.6615   7.6410   0.0000   0.0000  -4.6615   7.6410  ?   ?    35.457   16.488      ?      ? 
1 1 1   20   31   13 o   47.666   19.508   4.5484   7.9931   0.0000   0.0000   4.5484   7.9931  ?   ?    47.666   19.508      ?      ? 
1 1 1   20   31   14 o   32.535   15.576  -8.7150   7.7943   0.0000   0.0000  -8.7150   7.7943  ?   ?    32.535   15.576      ?      ? 
1 1 1   20   31   15 o   95.896   23.400   31.318   12.018   0.0000   0.0000   31.318   12.018  ?   ?    95.896   23.400      ?      ? 
1 1 1   20   31   16 o  134.078   17.363   54.538   12.580   0.0000   0.0000   54.538   12.580  ?   ?   134.078   17.363      ?      ? 
1 1 1   20   31   17 o   43.225   20.086  -5.2610   11.307   0.0000   0.0000  -5.2610   11.307  ?   ?    43.225   20.086      ?      ? 
1 1 1   20   31   18 o   60.640   23.630   11.569   11.159   0.0000   0.0000   11.569   11.159  ?   ?    60.640   23.630      ?      ? 
1 1 1   20   31   19 o  124.269   17.685   49.683   11.875   0.0000   0.0000   49.683   11.875  ?   ?   124.269   17.685      ?      ? 
1 1 1   20   31   20 o   85.748   23.958   28.772   11.530   0.0000   0.0000   28.772   11.530  ?   ?    85.748   23.958      ?      ? 
1 1 1   20   31   21 o   70.720   24.846   19.730   11.763   0.0000   0.0000   19.730   11.763  ?   ?    70.720   24.846      ?      ? 
1 1 1   20   31   22 o   46.058   21.094  -1.0635   11.836   0.0000   0.0000  -1.0635   11.836  ?   ?    46.058   21.094      ?      ? 
1 1 1   20   31   23 o  142.245   17.992   65.612   13.829   0.0000   0.0000   65.612   13.829  ?   ?   142.245   17.992      ?      ? 
1 1 1   20   31   24 o   41.860   19.026  -0.1205   9.3961   0.0000   0.0000  -0.1205   9.3961  ?   ?    41.860   19.026      ?      ? 
1 1 1   20   31   25 o   31.313   15.384 -13.0964   9.0171   0.0000   0.0000 -13.0964   9.0171  ?   ?    31.313   15.384      ?      ? 
1 1 1   20   32    0 o   53.038   15.861   4.8792   7.6523   2.7601   9.7696   8.2432   12.309   48.104   20.723   57.971   24.017 -9.867142 31.72110 
1 1 1   20   32    1 o   62.185   15.222   10.784   7.6225   21.517   9.9559  -4.4188   11.849   79.509   22.280   44.860   20.747 34.64956 30.44370 
1 1 1   20   32    2 o   54.025   15.115   5.3721   7.5572   14.227   9.7459  -7.9817   11.968   65.571   22.639   42.479   20.033 23.09267 30.23049 
1 1 1   20   32    3 o   62.226   14.705   8.5564   6.5851   23.694   10.624  -0.8885   8.3917   83.154   22.910   41.299   18.441 41.85481 29.41027 
1 1 1   20   32    4 o   55.073   15.261   8.0846   6.5173   8.1847   10.375   8.0193   8.3764   56.215   22.507   53.932   20.615 2.282993 30.52116 
1 1 1   20   32    5 o   49.249   14.579   1.4381   6.7285   10.865   10.642  -4.8404   8.6847   60.452   23.206   38.046   17.654 22.40607 29.15756 
1 1 1   20   32    6 o   51.803   19.899   7.0939   7.8281   0.0000   0.0000   7.0939   7.8281  ?   ?    51.803   19.899      ?      ? 
1 1 1   20   32    7 o   61.371   20.724   11.950   8.1586   0.0000   0.0000   11.950   8.1586  ?   ?    61.371   20.724      ?      ? 
1 1 1   20   32    8 o   64.317   21.287   13.379   8.6134   0.0000   0.0000   13.379   8.6134  ?   ?    64.317   21.287      ?      ? 
1 1 1   20   32    9 o   56.402   20.713   9.3731   8.2797   0.0000   0.0000   9.3731   8.2797  ?   ?    56.402   20.713      ?      ? 
1 1 1   20   32   10 o   42.098   18.655  -0.2597   8.4220   0.0000   0.0000  -0.2597   8.4220  ?   ?    42.098   18.655      ?      ? 
1 1 1   20   32   11 o   32.421   15.842 -13.9959   9.1693   0.0000   0.0000 -13.9959   9.1693  ?   ?    32.421   15.842      ?      ? 
1 1 1   20   32   12 f   81.997   19.961   22.506   8.7615   0.0000   0.0000   22.506   8.7615  ?   ?    81.997   19.961      ?      ? 
1 1 1   20   32   13 o   62.093   21.723   13.656   8.9871   0.0000   0.0000   13.656   8.9871  ?   ?    62.093   21.723      ?      ? 
1 1 1   20   32   14 o   57.792   22.967   11.677   10.725   0.0000   0.0000   11.677   10.725  ?   ?    57.792   22.967      ?      ? 
1 1 1   20   32   15 o   73.029   22.770   20.422   9.9577   0.0000   0.0000   20.422   9.9577  ?   ?    73.029   22.770      ?      ? 
1 1 1   20   32   16 o   73.645   22.298   19.906   9.6362   0.0000   0.0000   19.906   9.6362  ?   ?    73.645   22.298      ?      ? 
1 1 1   20   32   17 o   68.363   23.130   17.176   10.163   0.0000   0.0000   17.176   10.163  ?   ?    68.363   23.130      ?      ? 
1 1 1   20   32   18 o   35.397   16.947  -8.3937   9.2284   0.0000   0.0000  -8.3937   9.2284  ?   ?    35.397   16.947      ?      ? 
1 1 1   20   32   19 f   45.389   19.876   3.0673   9.2986   0.0000   0.0000   3.0673   9.2986  ?   ?    45.389   19.876      ?      ? 
1 1 1   20   32   20 o   42.254   19.234   0.0755   9.6488   0.0000   0.0000   0.0755   9.6488  ?   ?    42.254   19.234      ?      ? 
1 1 1   20   33    0 o   49.401   15.695   2.0946   8.5326   2.0532   10.810   2.1631   13.897   47.410   21.066   51.392   23.272 -3.982418 31.39011 
1 1 1   20   33    1 o  119.562   15.279   48.996   9.4597   46.667   12.189   52.523   15.000  119.361   18.898  119.763   24.014 -0.4013824 30.55852 
1 1 1   20   33    2 o   66.232   17.277   16.879   8.7909   22.703   11.407   8.3626   13.794   76.245   24.448   56.218   24.420 20.02694 34.55464 
1 1 1   20   33    3 o   60.205   16.855   12.638   8.7165   18.466   11.322   4.1577   13.658   68.545   24.346   51.865   23.315 16.68047 33.70968 
1 1 1   20   33    4 o   58.146   16.897   11.529   8.7315   14.813   11.380   6.8288   13.614   62.414   23.988   53.878   23.804 8.535435 33.79469 
1 1 1   20   33    5 o   46.016   21.511  -2.2493   13.280   0.0000   0.0000  -2.2493   13.280  ?   ?    46.016   21.511      ?      ? 
1 1 1   20   33    6 o   55.133   23.108   9.5067   11.587   0.0000   0.0000   9.5067   11.587  ?   ?    55.133   23.108      ?      ? 
1 1 1   20   33    7 o   58.294   22.995   11.919   10.678   0.0000   0.0000   11.919   10.678  ?   ?    58.294   22.995      ?      ? 
1 1 1   20   33    8 o   61.617   23.605   13.702   10.998   0.0000   0.0000   13.702   10.998  ?   ?    61.617   23.605      ?      ? 
1 1 1   20   33    9 o   38.776   18.463  -7.8325   10.641   0.0000   0.0000  -7.8325   10.641  ?   ?    38.776   18.463      ?      ? 
1 1 1   20   33   10 o   60.371   23.386   12.437   10.881   0.0000   0.0000   12.437   10.881  ?   ?    60.371   23.386      ?      ? 
1 1 1   20   33   11 o  111.894   17.330   39.769   10.479   0.0000   0.0000   39.769   10.479  ?   ?   111.894   17.330      ?      ? 
1 1 1   20   33   12 o   68.552   23.028   17.711   10.072   0.0000   0.0000   17.711   10.072  ?   ?    68.552   23.028      ?      ? 
1 1 1   20   33   13 o  118.577   14.089   43.123   9.0273   0.0000   0.0000   43.123   9.0273  ?   ?   118.577   14.089      ?      ? 
1 1 1   20   33   14 o   47.687   19.275   6.4828   7.6890   0.0000   0.0000   6.4828   7.6890  ?   ?    47.687   19.275      ?      ? 
1 1 1   20   33   15 o   41.443   18.019   2.4946   7.5249   0.0000   0.0000   2.4946   7.5249  ?   ?    41.443   18.019      ?      ? 
1 1 1   20   34    0 o   40.124   13.453  -9.8890   7.5900 -18.6833   9.6749   4.1860   12.240   30.274   15.061   49.974   22.296 -19.69991 26.90669 
1 1 1   20   34    1 o   72.399   14.474   20.303   6.7204   9.3108   10.521   27.878   8.7344   54.155   22.298   90.642   18.460 -36.48729 28.94747 
1 1 1   20   34    2 o   54.535   15.037   7.8784   6.6096   17.815   10.586   1.5300   8.4615   66.941   23.566   42.129   18.682 24.81248 30.07327 
1 1 1   20   34    3 o   68.042   14.135   12.814   6.5848   33.153   10.813   0.8247   8.3018   95.127   21.537   40.958   18.312 54.16865 28.26913 
1 1 1   20   34    4 o   57.403   21.369   11.997   8.8668   0.0000   0.0000   11.997   8.8668  ?   ?    57.403   21.369      ?      ? 
1 1 1   20   34    5 o   32.644   15.527  -5.8381   7.4840   0.0000   0.0000  -5.8381   7.4840  ?   ?    32.644   15.527      ?      ? 
1 1 1   20   34    6 o   32.126   15.414  -7.1974   7.7260   0.0000   0.0000  -7.1974   7.7260  ?   ?    32.126   15.414      ?      ? 
1 1 1   21    0    0 o  641.135   7.9853  1112.27   39.097  1112.27   39.097  1112.27   39.097  641.135   11.293  641.135   11.293 0.000000 0.000000 
1 1 1   21    0    1 o  208.037   4.0434  117.215   6.4172  117.215   6.4172  117.215   6.4172  208.037   5.7182  208.037   5.7182 0.000000 0.000000 
1 1 1   21    0    2 o  324.824   4.7504  285.493   11.781  285.493   11.781  285.493   11.781  324.824   6.7181  324.824   6.7181 0.000000 0.000000 
1 1 1   21    0    3 o  501.239   9.1088  680.631   34.838  680.631   34.838  680.631   34.838  501.239   12.882  501.239   12.882 0.000000 0.000000 
1 1 1   21    0    4 o  856.808   14.722  1990.54   96.269  1990.54   96.269  1990.54   96.269  856.808   20.821  856.808   20.821 0.000000 0.000000 
1 1 1   21    0    5 o  121.187   6.8509   40.450   6.2514   40.450   6.2514   40.450   6.2514  121.187   9.6886  121.187   9.6886 0.000000 0.000000 
1 1 1   21    0    6 o  493.464   9.1022  659.685   34.272  659.685   34.272  659.685   34.272  493.464   12.872  493.464   12.872 0.000000 0.000000 
1 1 1   21    0    7 o  570.865   7.2119  881.688   31.439  881.688   31.439  881.688   31.439  570.865   10.199  570.865   10.199 0.000000 0.000000 
1 1 1   21    0    8 o  779.102   9.5185  1642.63   56.633  1642.63   56.633  1642.63   56.633  779.102   13.461  779.102   13.461 0.000000 0.000000 
1 1 1   21    0    9 o  875.551   10.613  2074.88   70.966  2074.88   70.966  2074.88   70.966  875.551   15.010  875.551   15.010 0.000000 0.000000 
1 1 1   21    0   10 o   88.488   5.7855   21.699   3.8354   21.699   3.8354   21.699   3.8354   88.488   8.1820   88.488   8.1820 0.000000 0.000000 
1 1 1   21    0   11 o  1332.89   15.905  4814.59  161.901  4814.59  161.901  4814.59  161.901  1332.89   22.493  1332.89   22.493 0.000000 0.000000 
1 1 1   21    0   12 o  450.841   5.9827  549.919   20.596  549.919   20.596  549.919   20.596  450.841   8.4609  450.841   8.4609 0.000000 0.000000 
1 1 1   21    0   13 o  645.922   8.0669  1128.94   39.791  1128.94   39.791  1128.94   39.791  645.922   11.408  645.922   11.408 0.000000 0.000000 
1 1 1   21    0   14 o   74.342   7.4111   15.805   3.9696   15.805   3.9696   15.805   3.9696   74.342   10.481   74.342   10.481 0.000000 0.000000 
1 1 1   21    0   15 o   42.819   12.121   6.8663   3.8493   6.8663   3.8493   6.8663   3.8493   42.819   17.142   42.819   17.142 0.000000 0.000000 
1 1 1   21    0   17 o  399.401   5.5906  431.638   17.049  431.638   17.049  431.638   17.049  399.401   7.9064  399.401   7.9064 0.000000 0.000000 
1 1 1   21    0   19 o  306.599   4.6974  254.404   10.994  254.404   10.994  254.404   10.994  306.599   6.6431  306.599   6.6431 0.000000 0.000000 
1 1 1   21    0   24 o  348.071   5.2412  327.904   13.927  327.904   13.927  327.904   13.927  348.071   7.4122  348.071   7.4122 0.000000 0.000000 
1 1 1   21    0   26 o  586.953   7.4836  932.613   33.543  932.613   33.543  932.613   33.543  586.953   10.583  586.953   10.583 0.000000 0.000000 
1 1 1   21    0   27 o  571.709   7.3547  884.840   32.108  884.840   32.108  884.840   32.108  571.709   10.401  571.709   10.401 0.000000 0.000000 
1 1 1   21    0   30 o  874.357   10.696  2073.62   71.421  2073.62   71.421  2073.62   71.421  874.357   15.127  874.357   15.127 0.000000 0.000000 
1 1 1   21    0   31 o   95.829   6.3534   25.487   4.5588   25.487   4.5588   25.487   4.5588   95.829   8.9851   95.829   8.9851 0.000000 0.000000 
1 1 1   21    0   32 o  316.733   4.8452  271.627   11.715  271.627   11.715  271.627   11.715  316.733   6.8521  316.733   6.8521 0.000000 0.000000 
1 1 1   21    0   33 o  600.426   7.5874  977.051   34.789  977.051   34.789  977.051   34.789  600.426   10.730  600.426   10.730 0.000000 0.000000 
1 1 1   21    0   34 o  418.703   5.7147  474.843   18.270  474.843   18.270  474.843   18.270  418.703   8.0817  418.703   8.0817 0.000000 0.000000 
1 1 1   21    0   35 o  314.132   4.8548  267.289   11.642  267.289   11.642  267.289   11.642  314.132   6.8657  314.132   6.8657 0.000000 0.000000 
1 1 1   21    0   36 o   32.568   12.353   4.1232   4.2276   4.1232   4.2276   4.1232   4.2276   32.568   17.470   32.568   17.470 0.000000 0.000000 
1 1 1   21    0   37 o  156.516   4.8902   66.674   5.8231   66.674   5.8231   66.674   5.8231  156.516   6.9158  156.516   6.9158 0.000000 0.000000 
1 1 1   21    0   38 o   38.971   12.929   6.0607   4.3181   6.0607   4.3181   6.0607   4.3181   38.971   18.285   38.971   18.285 0.000000 0.000000 
1 1 1   21    0   39 o  218.706   4.4891  129.755   7.4885  129.755   7.4885  129.755   7.4885  218.706   6.3485  218.706   6.3485 0.000000 0.000000 
1 1 1   21    0   40 o   97.595   6.4899   26.502   4.7419   26.502   4.7419   26.502   4.7419   97.595   9.1781   97.595   9.1781 0.000000 0.000000 
1 1 1   21    0   41 o  129.872   5.3529   46.157   5.2713   46.157   5.2713   46.157   5.2713  129.872   7.5702  129.872   7.5702 0.000000 0.000000 
1 1 1   21    0   42 o  144.870   5.1533   57.288   5.6722   57.288   5.6722   57.288   5.6722  144.870   7.2879  144.870   7.2879 0.000000 0.000000 
1 1 1   21    0   43 o  463.625   6.2477  584.134   22.117  584.134   22.117  584.134   22.117  463.625   8.8355  463.625   8.8355 0.000000 0.000000 
1 1 1   21    0   44 o   87.352   7.8704   21.758   5.0211   21.758   5.0211   21.758   5.0211   87.352   11.130   87.352   11.130 0.000000 0.000000 
1 1 1   21    0   45 o  245.064   4.7123  163.151   8.8102  163.151   8.8102  163.151   8.8102  245.064   6.6641  245.064   6.6641 0.000000 0.000000 
1 1 1   21    0   46 o  181.440   4.8217   89.670   6.6641   89.670   6.6641   89.670   6.6641  181.440   6.8189  181.440   6.8189 0.000000 0.000000 
1 1 1   21    0   47 o  189.943   6.6979   99.009   9.6671   99.009   9.6671   99.009   9.6671  189.943   9.4723  189.943   9.4723 0.000000 0.000000 
1 1 1   21    0   50 o  267.653   7.4047  197.027   15.093  197.027   15.093  197.027   15.093  267.653   10.472  267.653   10.472 0.000000 0.000000 
1 1 1   21    0   51 o   93.006   8.0558   24.783   5.4957   24.783   5.4957   24.783   5.4957   93.006   11.393   93.006   11.393 0.000000 0.000000 
1 1 1   21    0   52 o   59.193   13.453   12.388   5.3703   12.388   5.3703   12.388   5.3703   59.193   19.025   59.193   19.025 0.000000 0.000000 
1 1 1   21    0   53 o  278.164   5.0695  211.082   10.760  211.082   10.760  211.082   10.760  278.164   7.1693  278.164   7.1693 0.000000 0.000000 
1 1 1   21    0   54 o  121.003   6.8197   40.930   6.2140   40.930   6.2140   40.930   6.2140  121.003   9.6446  121.003   9.6446 0.000000 0.000000 
1 1 1   21    0   55 o   27.144   12.219   1.0148   5.5738   1.0148   5.5738   1.0148   5.5738   27.144   17.280   27.144   17.280 0.000000 0.000000 
1 1 1   21    0   56 o   23.664   11.235  -1.6803   5.7349  -1.6803   5.7349  -1.6803   5.7349   23.664   15.889   23.664   15.889 0.000000 0.000000 
1 1 1   21    0   57 o  136.456   6.9217   52.039   7.1325   52.039   7.1325   52.039   7.1325  136.456   9.7888  136.456   9.7888 0.000000 0.000000 
1 1 1   21    0   58 o   29.799   13.261   2.1037   6.3535   2.1037   6.3535   2.1037   6.3535   29.799   18.753   29.799   18.753 0.000000 0.000000 
1 1 1   21    0   59 o  112.277   8.1041   36.383   6.7873   36.383   6.7873   36.383   6.7873  112.277   11.461  112.277   11.461 0.000000 0.000000 
1 1 1   21    0   60 o  158.173   6.4205   70.162   7.7022   70.162   7.7022   70.162   7.7022  158.173   9.0799  158.173   9.0799 0.000000 0.000000 
1 1 1   21    1    0 o  483.061   6.2800  630.861   16.392  625.247   23.064  636.592   23.302  480.889   8.8755  485.232   8.8872 -4.342651 12.56010 
1 1 1   21    1    1 o  328.842   4.7952  292.239   8.5195  294.814   12.174  289.768   11.927  330.260   6.8216  327.424   6.7410 2.836517 9.590325 
1 1 1   21    1    2 o  662.781   10.058  1187.18   33.916  1183.73   41.458  1194.14   58.977  661.524   11.598  664.039   16.436 -2.515015 20.11598 
1 1 1   21    1    3 o  644.933   9.7902  1131.06   32.439  1143.48   40.199  1107.88   54.924  650.197   11.442  639.669   15.890 10.52765 19.58047 
1 1 1   21    1    4 o  668.448   11.688  1208.60   42.219   0.0000   0.0000  1208.60   42.219  ?   ?   668.448   11.688      ?      ? 
1 1 1   21    1    5 o  316.734   6.5898  271.144   11.279   0.0000   0.0000  271.144   11.279  ?   ?   316.734   6.5898      ?      ? 
1 1 1   21    1    6 o  486.960   7.7380  641.086   19.219  640.682   23.562  641.892   33.220  486.806   8.9571  487.114   12.621 -0.3086548 15.47605 
1 1 1   21    1    7 o  667.714   8.2708  1205.85   29.842  1202.11   42.120  1209.63   42.285  666.673   11.692  668.754   11.701 -2.080872 16.54162 
1 1 1   21    1    8 o  694.361   8.5766  1303.89   32.176  1288.13   45.071  1320.26   45.949  690.088   12.087  698.634   12.171 -8.546204 17.15311 
1 1 1   21    1    9 o  372.285   7.3282  374.625   14.742   0.0000   0.0000  374.625   14.742  ?   ?   372.285   7.3282      ?      ? 
1 1 1   21    1   10 o  439.603   5.8526  522.047   13.895  533.195   20.064  511.774   19.261  444.107   8.3605  435.100   8.1923 9.007141 11.70524 
1 1 1   21    1   11 o  466.526   6.1297  588.346   15.451  593.192   22.057  583.677   21.651  468.411   8.7141  464.642   8.6232 3.768707 12.25949 
1 1 1   21    1   12 o  562.480   7.1347  855.556   21.685  858.156   30.794  852.999   30.542  563.326   10.116  561.634   10.064 1.692505 14.26944 
1 1 1   21    1   13 o  690.141   8.5315  1288.50   31.816  1291.67   45.127  1285.36   44.864  690.985   12.086  689.298   12.045 1.686279 17.06296 
1 1 1   21    1   14 o  1033.22   12.442  2890.95   69.441  2847.02   96.680  2937.76   99.803  1025.14   17.453  1041.30   17.737 -16.16345 24.88372 
1 1 1   21    1   16 o  434.628   5.9087  510.631   13.876  504.190   19.475  517.272   19.775  431.845   8.3459  437.410   8.3664 -5.565674 11.81739 
1 1 1   21    1   17 o  998.456   17.064  2701.32   92.068   0.0000   0.0000  2701.32   92.068  ?   ?   998.456   17.064      ?      ? 
1 1 1   21    1   18 o  429.827   5.7418  499.556   13.334  501.558   18.719  497.494   18.999  430.704   8.0430  428.950   8.1965 1.754028 11.48360 
1 1 1   21    1   19 o  313.697   4.7327  266.164   8.0179  272.635   11.248  259.480   11.432  317.579   6.5546  309.815   6.8286 7.763519 9.465376 
1 1 1   21    1   20 o  523.313   9.4451  740.718   26.709  740.718   26.709   0.0000   0.0000  523.313   9.4451  ?   ?       ?      ? 
1 1 1   21    1   21 o  673.348   8.3649  1226.00   30.420  1257.73   43.911  1196.73   42.181  681.708   11.920  664.989   11.739 16.71960 16.72974 
1 1 1   21    1   22 o  247.911   4.5682  165.460   6.0785  160.594   8.0868  171.780   9.2160  243.744   6.1398  252.077   6.7658 -8.333572 9.136368 
1 1 1   21    1   23 o  652.779   8.1625  1153.35   28.792  1163.01   40.833  1143.81   40.604  655.497   11.528  650.062   11.559 5.434998 16.32509 
1 1 1   21    1   24 o  604.571   7.6610  988.844   25.024  1006.14   35.762  972.248   35.029  609.749   10.854  599.394   10.815 10.35461 15.32206 
1 1 1   21    1   25 o  345.475   7.2270  322.714   13.492  322.714   13.492   0.0000   0.0000  345.475   7.2270  ?   ?       ?      ? 
1 1 1   21    1   29 o  492.367   6.5599  656.196   17.446  651.796   24.291  660.883   25.072  490.675   9.1615  494.059   9.3912 -3.383453 13.11971 
1 1 1   21    1   30 o  296.908   5.1149  237.569   8.1730  228.744   10.993  248.476   12.221  290.781   6.9963  303.036   7.4632 -12.25488 10.22973 
1 1 1   21    1   31 f  466.831   6.1747  589.963   15.573  584.275   21.782  595.911   22.275  464.535   8.6773  469.126   8.7870 -4.590332 12.34937 
1 1 1   21    1   32 o  388.419   5.4209  408.267   11.375  403.867   15.868  412.916   16.313  386.273   7.6023  390.565   7.7297 -4.291565 10.84172 
1 1 1   21    1   33 o  139.281   4.8744   52.499   3.6644   52.358   5.0602   52.654   5.3137  139.090   6.7326  139.471   7.0506 -0.3815155 9.748739 
1 1 1   21    1   34 o  280.046   4.5931  212.116   6.9455  208.465   9.6078  216.112   10.052  277.531   6.4066  282.561   6.5836 -5.030396 9.186255 
1 1 1   21    1   35 o  112.359   5.5526   34.228   3.3685   34.772   4.6922   33.648   4.8386  113.289   7.6647  111.428   8.0360 1.861473 11.10522 
1 1 1   21    1   36 o  365.207   5.2647  361.211   10.384  354.534   14.402  368.440   14.986  361.705   7.3686  368.708   7.5215 -7.002258 10.52944 
1 1 1   21    1   37 o  373.342   5.3526  377.224   10.787  394.317   15.705  361.961   14.841  381.323   7.6218  365.361   7.5171 15.96167 10.70510 
1 1 1   21    1   38 f  149.704   6.7116   60.729   5.4293   60.729   5.4293   0.0000   0.0000  149.704   6.7116  ?   ?       ?      ? 
1 1 1   21    1   39 o  143.125   5.0489   55.881   3.8761   63.118   5.4506   48.477   5.5131  152.594   6.6103  133.657   7.6334 18.93636 10.09770 
1 1 1   21    1   40 o  209.447   4.5017  118.992   5.0928  122.571   7.1855  115.380   7.2192  212.626   6.2539  206.268   6.4769 6.357834 9.003448 
1 1 1   21    1   41 o   48.934   10.608   6.5794   3.0880   5.5387   4.2936   7.6945   4.4445   45.687   15.025   52.180   14.978 -6.493118 21.21530 
1 1 1   21    1   42 o  193.991   4.6153  101.989   4.8344   98.555   6.6792  105.767   7.0062  190.572   6.4861  197.410   6.5678 -6.838318 9.230693 
1 1 1   21    1   43 o  247.090   4.6748  165.900   6.2382  172.313   8.8217  159.485   8.8224  251.893   6.4811  242.286   6.7386 9.607178 9.349554 
1 1 1   21    1   44 f  195.956   4.6788  104.304   4.9499  102.909   6.8371  105.842   7.1755  194.600   6.5019  197.313   6.7299 -2.713196 9.357684 
1 1 1   21    1   45 o  175.350   9.0249   84.077   8.5514   84.077   8.5514   0.0000   0.0000  175.350   9.0249  ?   ?       ?      ? 
1 1 1   21    1   46 o  138.305   7.3637   51.882   5.4634   45.203   7.2554   60.631   8.3031  128.155   10.477  148.455   10.350 -20.30008 14.72746 
1 1 1   21    1   47 o   70.825   12.265   14.413   4.7080   10.410   6.2507   19.662   7.1573   59.779   17.928   81.871   16.743 -22.09211 24.53015 
1 1 1   21    1   48 o  103.794   8.7111   31.563   4.4329   34.268   5.4063   26.014   7.7437  111.685   8.9582   95.903   14.943 15.78173 17.42219 
1 1 1   21    1   49 o   55.796   12.536   8.1470   4.1091   6.0550   5.0436   12.277   7.0865   47.473   16.292   64.119   19.057 -16.64676 25.07190 
1 1 1   21    1   50 o  187.461   7.3188   97.572   7.3818   96.059   10.905   98.851   10.029  185.876   10.857  189.046   9.8171 -3.169998 14.63759 
1 1 1   21    1   51 o  185.657   7.4155   95.863   7.4201   96.577   10.906   95.248   10.124  186.113   10.845  185.201   10.117 0.9124146 14.83094 
1 1 1   21    1   52 o  149.551   5.7399   61.641   4.6360   60.461   6.6254   62.774   6.4892  148.089   8.2795  151.013   7.9522 -2.923508 11.47987 
1 1 1   21    1   53 o  291.330   5.1251  232.007   8.0516  248.931   11.850  217.493   10.974  301.138   7.2822  281.522   7.2137 19.61520 10.25023 
1 1 1   21    1   54 o  113.712   7.0477   36.218   4.3069   31.769   6.0519   40.785   6.1307  106.400   10.526  121.023   9.3746 -14.62233 14.09537 
1 1 1   21    1   55 o   85.540   9.3815   21.495   4.1602   17.278   5.8693   25.752   5.8974   75.799   14.861   95.281   11.454 -19.48192 18.76304 
1 1 1   21    1   56 o   52.857   11.854   7.9887   4.1544   13.216   5.9576   3.0404   5.7962   64.766   16.859   40.948   16.669 23.81798 23.70805 
1 1 1   21    1   57 o  140.629   9.3862   55.347   7.1327   0.0000   0.0000   55.347   7.1327  ?   ?   140.629   9.3862      ?      ? 
1 1 1   21    1   58 o  117.808   7.7144   39.965   4.9077   41.954   7.0701   38.116   6.8177  120.679   10.842  114.938   10.977 5.740784 15.42876 
1 1 1   21    1   59 f  127.567   7.4253   46.864   5.0087   59.574   7.2870   35.482   6.8960  144.822   9.3116  110.312   11.569 34.50962 14.85060 
1 1 1   21    1   60 o   84.397   10.811   22.747   4.7484   22.301   6.6661   23.207   6.7656   83.497   15.340   85.298   15.237 -1.800934 21.62155 
1 1 1   21    2    0 o  407.607   5.5329  449.135   12.186  445.357   17.225  452.921   17.243  405.890   7.8535  409.324   7.7956 -3.434326 11.06571 
1 1 1   21    2    1 f  797.222   9.7263  1718.99   41.882  1687.89   58.213  1752.36   60.303  789.763   13.641  804.681   13.868 -14.91815 19.45252 
1 1 1   21    2    2 o  580.109   8.9817  906.299   26.416  898.514   32.134  922.523   46.390  576.419   10.317  583.799   14.705 -7.379944 17.96333 
1 1 1   21    2    3 o  475.040   6.2112  606.911   15.877  643.620   23.798  577.465   21.315  487.909   9.0265  462.171   8.5346 25.73837 12.42249 
1 1 1   21    2    4 o  966.550   14.299  2539.31   70.595  2511.26  121.246  2553.70   86.832  961.974   23.325  971.125   16.547 -9.151428 28.59795 
1 1 1   21    2    5 o  241.005   5.0047  150.792   6.0273  173.198   11.169  141.586   7.1593  253.121   8.1659  228.888   5.7884 24.23271 10.00933 
1 1 1   21    2    6 o  950.278   11.468  2443.64   58.867  2403.59   81.914  2486.41   84.656  942.246   16.088  958.311   16.348 -16.06488 22.93644 
1 1 1   21    2    7 o  794.984   11.925  1701.11   48.010  1682.37   58.312  1740.54   84.590  788.527   13.685  801.441   19.532 -12.91394 23.84965 
1 1 1   21    2    8 o  254.245   6.0703  174.698   8.3396   0.0000   0.0000  174.698   8.3396  ?   ?   254.245   6.0703      ?      ? 
1 1 1   21    2    9 o  1163.12   13.933  3666.60   87.568  3683.80  124.489  3649.76  123.200  1165.81   19.761  1160.43   19.647 5.377197 27.86614 
1 1 1   21    2   10 o  893.292   10.827  2160.26   52.262  2159.00   73.963  2161.50   73.856  893.032   15.327  893.552   15.296 -0.5203857 21.65378 
1 1 1   21    2   11 o  560.189   7.1448  848.250   21.618  859.997   31.131  837.309   30.043  563.927   10.216  556.450   9.9913 7.477417 14.28957 
1 1 1   21    2   12 o  584.879   10.448  925.133   33.022   0.0000   0.0000  925.133   33.022  ?   ?   584.879   10.448      ?      ? 
1 1 1   21    2   13 o  651.882   8.1175  1149.46   28.594  1146.15   40.356  1152.81   40.520  650.938   11.473  652.826   11.486 -1.887512 16.23493 
1 1 1   21    2   14 o  766.433   13.284  1589.59   55.015   0.0000   0.0000  1589.59   55.015  ?   ?   766.433   13.284      ?      ? 
1 1 1   21    2   15 o  344.196   5.1035  320.225   9.4912  321.150   13.520  319.328   13.327  344.684   7.2588  343.707   7.1758 0.9773560 10.20692 
1 1 1   21    2   16 o  854.677   10.416  1977.39   48.099  1994.70   68.670  1960.71   67.393  858.340   14.805  851.014   14.655 7.326294 20.83196 
1 1 1   21    2   17 o  800.911   9.8100  1736.49   42.456  1740.72   60.225  1732.32   59.860  801.878   13.899  799.945   13.848 1.932434 19.62005 
1 1 1   21    2   18 o  723.401   12.528  1416.37   48.973  1416.37   48.973   0.0000   0.0000  723.401   12.528  ?   ?       ?      ? 
1 1 1   21    2   19 o  337.808   6.6868  308.484   12.206  308.484   12.206   0.0000   0.0000  337.808   6.6868  ?   ?       ?      ? 
1 1 1   21    2   20 f  496.534   8.9639  666.773   24.051  666.773   24.051   0.0000   0.0000  496.534   8.9639  ?   ?       ?      ? 
1 1 1   21    2   21 o  355.726   5.1475  342.601   9.8743  351.129   13.638  333.205   14.315  360.394   7.0030  351.059   7.5463 9.335449 10.29505 
1 1 1   21    2   22 o  543.477   9.7019  798.986   28.492  798.986   28.492   0.0000   0.0000  543.477   9.7019  ?   ?       ?      ? 
1 1 1   21    2   23 o  451.792   8.3505  552.012   20.386  552.012   20.386   0.0000   0.0000  451.792   8.3505  ?   ?       ?      ? 
1 1 1   21    2   24 o  390.534   5.5250  412.834   11.641  420.977   16.115  403.947   16.835  394.576   7.5581  386.492   8.0609 8.083740 11.05009 
1 1 1   21    2   25 o  479.968   6.3671  622.773   16.487  616.529   22.626  629.841   24.073  477.420   8.7703  482.517   9.2326 -5.097107 12.73420 
1 1 1   21    2   28 o  357.338   5.3830  345.981   10.376  365.003   14.555  326.326   14.795  367.357   7.3324  347.320   7.8831 20.03687 10.76603 
1 1 1   21    2   30 o  132.204   6.1109   45.132   4.1485   40.825   5.0302   54.290   7.3356  122.830   7.5786  141.579   9.5885 -18.74910 12.22190 
1 1 1   21    2   31 o  431.508   5.8161  504.046   13.561  507.876   19.213  500.242   19.145  433.144   8.2086  429.873   8.2418 3.270782 11.63222 
1 1 1   21    2   32 o  221.598   4.3092  132.596   5.1536  128.278   7.0773  137.471   7.5193  217.768   6.0144  225.428   6.1727 -7.660843 8.618309 
1 1 1   21    2   33 o  238.788   4.3607  154.091   5.6204  150.515   7.7331  158.095   8.1829  235.861   6.0675  241.716   6.2649 -5.855270 8.721441 
1 1 1   21    2   34 o  452.721   6.0510  555.371   14.801  564.583   21.126  546.489   20.743  456.407   8.5660  449.036   8.5486 7.370270 12.10191 
1 1 1   21    2   35 o   64.769   8.9250   11.656   2.9940   10.449   3.9724   13.245   4.5557   60.864   12.497   68.673   12.746 -7.808437 17.85007 
1 1 1   21    2   36 f  129.159   5.1585   45.361   3.5821   47.015   4.8825   43.433   5.2715  131.740   6.8587  126.578   7.7070 5.162025 10.31693 
1 1 1   21    2   37 o  337.945   5.0442  309.454   9.2068  306.042   12.790  313.124   13.264  336.026   7.0436  339.864   7.2226 -3.837738 10.08848 
1 1 1   21    2   38 o  257.122   4.5712  179.195   6.3481  184.566   8.9445  173.744   9.0109  261.019   6.3416  253.224   6.5853 7.794434 9.142314 
1 1 1   21    2   39 o   77.704   7.5043   16.290   3.1350   14.686   4.1927   18.324   4.7215   73.412   10.569   81.997   10.656 -8.585083 15.00863 
1 1 1   21    2   40 o  111.009   5.8485   33.650   3.4861   35.117   4.7373   31.918   5.1484  113.703   7.7103  108.315   8.7962 5.388687 11.69708 
1 1 1   21    2   41 o  146.624   5.0538   58.487   3.9918   60.038   5.4793   56.733   5.8274  148.732   6.8176  144.516   7.4622 4.215881 10.10765 
1 1 1   21    2   42 o  215.333   4.6304  125.950   5.3807  128.111   7.4589  123.605   7.7694  217.289   6.3526  213.377   6.7384 3.912079 9.260702 
1 1 1   21    2   43 o  127.673   6.3302   44.601   4.3219   43.604   6.5618   45.366   5.7438  126.312   9.6137  129.035   8.2377 -2.722916 12.66033 
1 1 1   21    2   44 o  175.895   6.4547   85.044   6.0974   91.171   8.3871   78.176   8.8800  182.788   8.4913  169.001   9.7238 13.78706 12.90945 
1 1 1   21    2   45 o  134.646   7.1848   49.582   5.2011   48.243   6.9731   51.261   7.8085  132.690   9.7252  136.603   10.578 -3.913025 14.36952 
1 1 1   21    2   46 o  166.475   6.0598   76.024   5.0962   76.388   6.2035   75.270   8.9373  167.465   6.8553  165.486   9.9944 1.979355 12.11954 
1 1 1   21    2   47 o  135.661   7.5873   50.263   5.5620   50.263   5.5620   0.0000   0.0000  135.661   7.5873  ?   ?       ?      ? 
1 1 1   21    2   48 o  105.000   6.7096   30.668   3.7583   35.587   5.2573   25.527   5.3747  113.888   8.5427   96.113   10.349 17.77491 13.41914 
1 1 1   21    2   49 o  161.147   5.1935   71.014   4.5221   71.072   6.3604   70.955   6.4306  161.226   7.3007  161.069   7.3884 0.1566925 10.38698 
1 1 1   21    2   50 o  158.432   5.3910   68.585   4.6061   65.534   6.2761   72.147   6.7811  154.658   7.5098  162.205   7.7366 -7.546722 10.78202 
1 1 1   21    2   51 o  114.666   9.8562   37.123   6.0764   40.383   9.1718   34.572   8.1121  118.980   14.266  110.352   13.604 8.627838 19.71236 
1 1 1   21    2   52 o  187.342   7.5998   98.168   7.6737   96.982   11.217   99.212   10.521  186.034   11.158  188.649   10.321 -2.615112 15.19951 
1 1 1   21    2   53 o   31.574   10.607  -6.4794   4.5241  -6.4887   7.9737  -6.4750   5.4941   35.393   16.585   27.754   13.229 7.639221 21.21463 
1 1 1   21    2   54 o  171.348   5.5119   81.016   5.0995   85.257   7.2566   76.878   7.1678  175.850   7.6366  166.846   7.9503 9.004456 11.02385 
1 1 1   21    2   55 o  143.007   6.1215   56.947   4.7193   61.409   6.6796   52.501   6.6685  148.768   8.3092  137.247   8.9917 11.52101 12.24306 
1 1 1   21    2   56 o  158.363   5.9801   69.858   5.1070   75.940   7.3183   64.084   7.1302  165.226   8.1968  151.501   8.7096 13.72522 11.96011 
1 1 1   21    2   57 o  154.941   8.9692   66.985   7.5095   66.985   7.5095   0.0000   0.0000  154.941   8.9692  ?   ?       ?      ? 
1 1 1   21    2   58 o  122.066   7.6395   43.051   5.0235   38.922   7.0245   47.374   7.1868  115.755   11.230  128.376   10.360 -12.62086 15.27907 
1 1 1   21    2   59 f  137.558   6.9211   53.907   5.1365   49.933   7.1409   58.167   7.3940  132.152   9.9998  142.963   9.5712 -10.81061 13.84212 
1 1 1   21    2   60 o   75.142   12.071   18.916   4.7952   17.484   6.8039   20.329   6.7592   71.683   17.676   78.601   16.443 -6.917732 24.14149 
1 1 1   21    3    0 o  424.229   5.7121  485.940   13.081  498.523   19.023  474.654   18.016  429.429   8.1978  419.029   7.9566 10.39954 11.42414 
1 1 1   21    3    1 o  386.167   6.6123  402.093   13.011  399.889   15.917  406.531   22.587  384.623   7.6586  387.712   10.781 -3.088989 13.22456 
1 1 1   21    3    2 o  711.990   8.7725  1371.35   33.750  1373.23   47.889  1369.49   47.572  712.474   12.439  711.506   12.373 0.9682617 17.54490 
1 1 1   21    3    3 o  847.854   12.753  1922.23   53.952  2012.39   98.260  1883.32   64.554  861.495   21.107  834.212   14.321 27.28320 25.50686 
1 1 1   21    3    4 o  242.113   5.8629  158.421   7.6705   0.0000   0.0000  158.421   7.6705  ?   ?   242.113   5.8629      ?      ? 
1 1 1   21    3    5 o  769.060   9.4221  1599.94   39.149  1613.78   55.987  1586.71   54.763  772.306   13.416  765.815   13.233 6.490906 18.84421 
1 1 1   21    3    6 o  522.194   8.1245  741.583   21.819  724.099   36.835  751.033   27.080  517.342   13.176  527.046   9.5087 -9.703796 16.24907 
1 1 1   21    3    7 o  546.619   6.9909  804.991   20.599  768.364   27.964  848.443   30.458  533.082   9.7076  560.157   10.062 -27.07507 13.98174 
1 1 1   21    3    8 o  598.558   9.1839  968.711   28.107  967.456   34.542  971.171   48.352  598.117   10.687  599.000   14.938 -0.8834229 18.36777 
1 1 1   21    3    9 f  456.788   6.0620  563.665   14.951  574.462   21.656  553.831   20.667  460.961   8.6941  452.616   8.4500 8.344971 12.12394 
1 1 1   21    3   10 o  462.058   6.1530  576.830   15.349  585.604   22.260  568.877   21.192  465.400   8.8512  458.716   8.5495 6.684357 12.30600 
1 1 1   21    3   11 o  480.441   8.8843  624.076   23.065   0.0000   0.0000  624.076   23.065  ?   ?   480.441   8.8843      ?      ? 
1 1 1   21    3   12 o  514.124   6.6706  714.581   18.530  704.349   25.993  725.156   26.423  510.382   9.4249  517.865   9.4424 -7.482819 13.34117 
1 1 1   21    3   13 o  315.125   6.8233  268.413   11.619   0.0000   0.0000  268.413   11.619  ?   ?   315.125   6.8233      ?      ? 
1 1 1   21    3   14 o  353.310   7.2758  337.422   13.891   0.0000   0.0000  337.422   13.891  ?   ?   353.310   7.2758      ?      ? 
1 1 1   21    3   15 o  286.745   6.6410  222.241   10.290   0.0000   0.0000  222.241   10.290  ?   ?   286.745   6.6410      ?      ? 
1 1 1   21    3   16 o  269.364   6.6229  196.120   9.6399   0.0000   0.0000  196.120   9.6399  ?   ?   269.364   6.6229      ?      ? 
1 1 1   21    3   17 o  495.476   9.1978  663.884   24.626   0.0000   0.0000  663.884   24.626  ?   ?   495.476   9.1978      ?      ? 
1 1 1   21    3   18 o  719.006   8.8834  1393.54   34.421  1476.24   51.021  1324.45   46.632  738.480   12.786  699.532   12.336 38.94830 17.76685 
1 1 1   21    3   19 o  182.848   4.8801   90.357   4.8217   90.357   4.8217   0.0000   0.0000  182.848   4.8801  ?   ?       ?      ? 
1 1 1   21    3   20 o  399.575   5.5586  432.228   11.987  451.355   16.815  412.467   17.092  408.583   7.6162  390.567   8.0985 18.01572 11.11718 
1 1 1   21    3   21 o  662.019   11.817  1186.12   42.272   0.0000   0.0000  1186.12   42.272  ?   ?   662.019   11.817      ?      ? 
1 1 1   21    3   22 o  204.536   7.4478  113.114   8.2316   0.0000   0.0000  113.114   8.2316  ?   ?   204.536   7.4478      ?      ? 
1 1 1   21    3   25 o  265.859   4.7143  192.707   6.5417  197.566   8.3010  184.744   10.627  270.344   5.6823  261.374   7.5239 8.970306 9.428588 
1 1 1   21    3   26 o  377.124   7.1885  384.619   14.649  384.619   14.649   0.0000   0.0000  377.124   7.1885  ?   ?       ?      ? 
1 1 1   21    3   28 o  597.665   7.6303  967.651   24.638  985.144   34.740  949.950   34.947  603.118   10.660  592.211   10.921 10.90631 15.26067 
1 1 1   21    3   31 o  127.285   4.4421   42.656   3.0103   37.143   3.8741   51.058   4.7825  117.185   6.1179  137.385   6.4420 -20.19990 8.884207 
1 1 1   21    3   32 o  436.056   5.8690  514.902   13.829  521.247   19.632  508.654   19.482  438.724   8.2809  433.387   8.3191 5.336761 11.73806 
1 1 1   21    3   33 o  417.777   5.7096  472.789   12.889  477.677   18.243  467.916   18.213  419.938   8.0394  415.616   8.1096 4.322052 11.41917 
1 1 1   21    3   34 o  273.651   6.3237  202.683   9.3509  202.683   9.3509   0.0000   0.0000  273.651   6.3237  ?   ?       ?      ? 
1 1 1   21    3   35 o  435.188   5.8987  513.382   13.867  510.594   19.354  516.324   19.879  433.990   8.2527  436.386   8.4303 -2.396393 11.79733 
1 1 1   21    3   36 o   58.174   9.3945   9.5635   2.8748   9.2400   3.8528   9.9699   4.3179   57.097   12.803   59.252   13.751 -2.154797 18.78895 
1 1 1   21    3   37 o  498.627   6.5632  675.454   17.683  674.694   24.853  676.233   25.164  498.358   9.2290  498.895   9.3342 -0.5367737 13.12641 
1 1 1   21    3   38 o  340.178   7.0917  313.723   13.036  313.723   13.036   0.0000   0.0000  340.178   7.0917  ?   ?       ?      ? 
1 1 1   21    3   39 o  121.475   5.4546   40.529   3.5322   43.864   4.7542   36.421   5.2772  127.175   6.9181  115.776   8.4352 11.39844 10.90930 
1 1 1   21    3   40 o  160.746   6.4103   70.076   5.5681   70.076   5.5681   0.0000   0.0000  160.746   6.4103  ?   ?       ?      ? 
1 1 1   21    3   41 f  127.290   6.7131   43.552   4.5667   40.293   5.9512   48.221   7.1219  121.629   9.0549  132.952   9.9132 -11.32294 13.42618 
1 1 1   21    3   42 o  490.376   9.1702  661.320   24.284  654.505   33.686  668.694   35.041  487.876   12.778  492.877   13.157 -5.001495 18.34031 
1 1 1   21    3   43 o   60.638   11.866   10.568   3.9646   10.493   5.1045   10.682   6.2940   60.270   15.565   61.007   17.915 -0.7369881 23.73203 
1 1 1   21    3   44 o  216.772   5.6018  129.171   6.2012  131.543   7.6537  124.640   10.580  220.014   6.4377  213.531   9.1694 6.482742 11.20362 
1 1 1   21    3   45 o  179.691   4.9159   88.040   4.7575   90.063   6.5148   85.728   6.9639  181.967   6.6255  177.415   7.2640 4.552368 9.831719 
1 1 1   21    3   46 o  120.016   5.8820   38.812   3.7720   31.593   5.0349   48.046   5.6946  107.420   8.6740  132.611   7.9468 -25.19076 11.76392 
1 1 1   21    3   47 o  182.943   4.9093   91.238   4.8513   90.634   6.7588   91.879   6.9676  182.339   6.8597  183.547   7.0250 -1.208633 9.818642 
1 1 1   21    3   48 o  208.650   4.7960  118.824   5.4046  123.466   7.6575  114.217   7.6291  212.748   6.6609  204.553   6.9021 8.195038 9.591994 
1 1 1   21    3   49 o  240.931   4.8225  158.468   6.2764  157.594   8.7544  159.393   9.0031  240.276   6.7426  241.586   6.8965 -1.310440 9.644922 
1 1 1   21    3   50 o   72.771   9.8658   15.374   3.7284   14.471   5.0480   16.459   5.5304   70.443   13.755   75.098   14.147 -4.655525 19.73170 
1 1 1   21    3   51 o   76.589   9.7827   17.646   3.8333   23.217   5.2991   11.529   5.5520   91.244   10.748   61.935   16.349 29.30916 19.56545 
1 1 1   21    3   52 o   55.279   14.126   7.9916   5.6179   4.0473   7.9800   11.867   7.9101   48.054   19.559   62.505   20.386 -14.45092 28.25160 
1 1 1   21    3   53 o  102.292   12.056   31.941   6.2520   42.748   8.8587   21.216   8.8248  122.416   13.392   82.169   20.052 40.24728 24.11269 
1 1 1   21    3   54 o  158.844   7.3038   67.361   5.8627   80.428   10.685   61.733   7.0125  168.503   11.735  149.186   8.6987 19.31702 14.60769 
1 1 1   21    3   55 o  110.611   7.5430   34.712   4.4873   38.056   6.3058   31.281   6.3869  116.311   10.033  104.912   11.266 11.39964 15.08603 
1 1 1   21    3   56 f   74.370   10.775   16.876   4.4061   7.4753   6.0205   27.719   6.4657   50.549   17.774   98.192   12.186 -47.64331 21.55048 
1 1 1   21    3   57 o  117.302   7.9110   39.171   5.0016   40.923   6.9476   37.287   7.2063  120.280   10.689  114.323   11.665 5.956619 15.82205 
1 1 1   21    3   58 o  125.256   7.5693   45.477   5.1217   44.032   7.1570   46.994   7.3325  123.180   10.752  127.333   10.657 -4.153023 15.13867 
1 1 1   21    3   59 o   65.871   12.429   14.271   4.7286   19.756   6.7648   9.0306   6.6122   78.591   16.457   53.152   18.631 25.43878 24.85835 
1 1 1   21    3   60 o   96.601   10.110   29.195   4.9772   21.226   6.8698   37.999   7.2211   80.243   16.397  112.960   11.830 -32.71651 20.21930 
1 1 1   21    4    0 o  266.842   6.4257  192.446   9.2654  192.446   9.2654   0.0000   0.0000  266.842   6.4257  ?   ?       ?      ? 
1 1 1   21    4    1 o  328.994   6.8285  292.546   12.140   0.0000   0.0000  292.546   12.140  ?   ?   328.994   6.8285      ?      ? 
1 1 1   21    4    2 o  755.060   11.330  1561.84   44.299  1477.25   73.028  1611.08   55.722  738.462   18.301  771.659   13.363 -33.19733 22.66049 
1 1 1   21    4    3 o  421.679   8.0379  480.662   18.315   0.0000   0.0000  480.662   18.315  ?   ?   421.679   8.0379      ?      ? 
1 1 1   21    4    4 o  727.847   12.652  1433.10   49.760   0.0000   0.0000  1433.10   49.760  ?   ?   727.847   12.652      ?      ? 
1 1 1   21    4    5 f  770.886   9.4487  1607.84   39.359  1607.48   55.818  1608.19   55.507  770.797   13.401  770.974   13.324 -0.1766968 18.89742 
1 1 1   21    4    6 o  410.692   6.7605  455.743   14.218  456.982   24.384  455.105   17.502  411.068   10.978  410.317   7.8936 0.7506409 13.52101 
1 1 1   21    4    7 o  843.457   12.514  1933.71   54.100  1905.86   92.197  1948.33   66.811  838.463   20.349  848.451   14.572 -9.987427 25.02885 
1 1 1   21    4    8 f  322.653   5.8403  276.385   9.7245  265.160   11.968  298.198   16.684  313.209   7.0711  332.098   9.2970 -18.88873 11.68051 
1 1 1   21    4    9 o  621.618   9.4678  1050.17   30.364  1061.17   37.805  1030.18   50.969  626.370   11.169  616.866   15.291 9.503845 18.93561 
1 1 1   21    4   10 o  866.128   10.542  2030.66   49.333  2040.37   70.269  2021.22   69.277  868.163   14.979  864.094   14.837 4.068848 21.08303 
1 1 1   21    4   11 o  768.352   9.4327  1597.19   39.158  1576.80   54.817  1618.44   55.956  763.349   13.289  773.355   13.390 -10.00525 18.86537 
1 1 1   21    4   12 o  313.445   6.8328  265.558   11.573   0.0000   0.0000  265.558   11.573  ?   ?   313.445   6.8328      ?      ? 
1 1 1   21    4   13 o  334.997   7.0728  303.343   12.803   0.0000   0.0000  303.343   12.803  ?   ?   334.997   7.0728      ?      ? 
1 1 1   21    4   14 o  414.186   5.7403  463.301   12.841  447.850   17.822  479.979   18.517  407.013   8.1034  421.359   8.1326 -14.34607 11.48065 
1 1 1   21    4   15 o  134.336   4.7465   48.710   3.4387   47.750   4.6973   49.819   5.0476  132.914   6.5402  135.759   6.8807 -2.845245 9.493032 
1 1 1   21    4   16 o  463.613   6.2507  581.211   15.659  575.879   22.167  586.522   22.122  461.488   8.8892  465.737   8.7903 -4.248962 12.50146 
1 1 1   21    4   17 o  569.625   8.8133  882.635   26.038  862.162   43.146  894.362   32.654  564.260   14.151  574.989   10.510 -10.72870 17.62651 
1 1 1   21    4   20 o  598.547   10.934  969.326   35.363   0.0000   0.0000  969.326   35.363  ?   ?   598.547   10.934      ?      ? 
1 1 1   21    4   22 o  387.428   8.2419  405.921   17.255   0.0000   0.0000  405.921   17.255  ?   ?   387.428   8.2419      ?      ? 
1 1 1   21    4   23 o  424.995   8.7736  488.521   20.149   0.0000   0.0000  488.521   20.149  ?   ?   424.995   8.7736      ?      ? 
1 1 1   21    4   24 o  1094.41   18.762  3252.43  110.956   0.0000   0.0000  3252.43  110.956  ?   ?   1094.41   18.762      ?      ? 
1 1 1   21    4   25 o  568.348   10.586  874.404   32.511   0.0000   0.0000  874.404   32.511  ?   ?   568.348   10.586      ?      ? 
1 1 1   21    4   31 o  392.915   6.8960  421.761   13.638  427.966   16.581  408.784   23.979  397.632   7.7168  388.198   11.431 9.433868 13.79204 
1 1 1   21    4   32 o  215.551   4.2260  125.728   4.9146  126.310   6.7716  125.079   7.1438  216.086   5.7993  215.015   6.1485 1.070999 8.451994 
1 1 1   21    4   33 o  600.084   7.5989  977.554   24.640  977.030   34.710  978.087   34.983  599.932   10.707  600.236   10.786 -0.3037109 15.19771 
1 1 1   21    4   34 o  482.021   6.3542  629.948   16.547  625.158   23.106  634.990   23.706  480.156   8.9053  483.885   9.0664 -3.729065 12.70844 
1 1 1   21    4   35 o  292.639   6.5368  231.891   10.337  231.891   10.337   0.0000   0.0000  292.639   6.5368  ?   ?       ?      ? 
1 1 1   21    4   36 o   92.347   6.3349   23.872   3.0581   29.245   4.1933   17.768   4.4695  103.860   7.4716   80.835   10.232 23.02549 12.66985 
1 1 1   21    4   37 o   95.506   6.1699   24.657   3.1728   23.566   4.2758   25.993   4.7330   93.178   8.4920   97.833   8.9529 -4.654366 12.33974 
1 1 1   21    4   38 o   56.548   9.9884   9.0128   3.2400   4.4212   4.5504   13.735   4.6145   43.243   15.426   69.853   12.693 -26.60941 19.97682 
1 1 1   21    4   39 o  358.319   7.1715  349.725   13.876  345.946   19.232  353.829   20.042  356.347   9.9874  360.291   10.294 -3.944122 14.34302 
1 1 1   21    4   40 o  270.413   6.2345  199.016   9.1019  199.167   12.614  198.851   13.147  270.562   8.6276  270.264   9.0021 0.2974548 12.46894 
1 1 1   21    4   41 o  504.449   9.3365  699.476   25.448  711.487   36.276  687.838   35.708  508.717   13.196  500.181   13.211 8.535858 18.67295 
1 1 1   21    4   42 o  205.786   4.7065  115.329   5.2099  119.137   7.1108  110.915   7.6551  209.521   6.2806  202.051   7.0114 7.469742 9.413041 
1 1 1   21    4   43 o  169.905   4.8089   78.518   4.3962   78.967   5.9582   77.981   6.5132  170.488   6.4674  169.322   7.1186 1.166534 9.617835 
1 1 1   21    4   44 o  276.674   4.8358  208.298   7.2258  215.415   10.193  201.108   10.245  281.464   6.7017  271.884   6.9732 9.579437 9.671559 
1 1 1   21    4   45 o  301.354   4.9829  247.343   8.1105  249.284   11.329  245.301   11.617  302.606   6.9280  300.101   7.1637 2.505157 9.965731 
1 1 1   21    4   46 o  181.706   4.9402   90.112   4.8421   92.267   6.7031   87.759   7.0023  184.037   6.7403  179.374   7.2243 4.662292 9.880396 
1 1 1   21    4   47 o  260.574   4.8252  184.836   6.7860  179.681   9.3253  190.638   9.8936  256.753   6.7214  264.395   6.9249 -7.641785 9.650470 
1 1 1   21    4   48 o  138.609   5.5286   52.622   4.1399   53.455   5.8215   51.770   5.8883  139.745   7.7093  137.473   7.9266 2.272018 11.05726 
1 1 1   21    4   49 o   77.115   8.6527   16.606   3.6023   16.232   4.9686   17.021   5.2302   76.238   12.061   77.993   12.410 -1.755211 17.30540 
1 1 1   21    4   50 o  155.281   5.4556   65.744   4.5606   61.570   6.1337   70.906   6.8201  149.846   7.5752  160.717   7.8531 -10.87129 10.91120 
1 1 1   21    4   51 o   37.190   10.916   1.1189   3.6206  -0.5075   4.8102   3.2447   5.4994   32.791   14.329   41.589   16.472 -8.798260 21.83191 
1 1 1   21    4   52 f  104.486   7.4517   30.853   4.1478   33.908   5.6208   27.200   6.1461  110.577   9.4069   98.395   11.559 12.18187 14.90331 
1 1 1   21    4   53 o  133.439   9.7800   50.904   7.0362   46.622   9.6497   55.766   10.282  127.360   14.021  139.517   13.638 -12.15696 19.56000 
1 1 1   21    4   54 o  172.689   8.4970   84.419   7.9160   78.423   10.885   91.149   11.533  166.124   12.126  179.254   11.906 -13.13013 16.99400 
1 1 1   21    4   55 o  117.709   9.4278   39.295   5.6456   43.423   9.9703   37.347   6.8494  120.837   15.269  114.582   11.062 6.254501 18.85556 
1 1 1   21    4   56 o   40.173   11.012  -1.9158   4.3472 -11.8949   5.9518   9.4962   6.3648   24.841   12.261   55.504   18.295 -30.66244 22.02397 
1 1 1   21    4   57 o   47.392   11.988   3.5078   4.6623  -4.4991   6.4149   12.473   6.7880   32.288   15.046   62.496   18.669 -30.20825 23.97685 
1 1 1   21    4   58 o   89.949   10.325   25.194   4.8555   21.258   6.7520   29.409   6.9873   81.131   15.970   98.768   13.092 -17.63713 20.65057 
1 1 1   21    4   59 o   91.964   10.125   25.890   4.8645   22.237   6.8860   29.530   6.8728   83.987   15.752   99.942   12.726 -15.95496 20.25016 
1 1 1   21    4   60 f   66.010   18.709   15.427   6.9787   0.0000   0.0000   15.427   6.9787  ?   ?    66.010   18.709      ?      ? 
1 1 1   21    5    0 o  145.726   8.6641   57.410   6.8226   57.410   6.8226   0.0000   0.0000  145.726   8.6641  ?   ?       ?      ? 
1 1 1   21    5    1 o  861.093   20.898  2010.14   97.239   0.0000   0.0000  2010.14   97.239  ?   ?   861.093   20.898      ?      ? 
1 1 1   21    5    2 o  649.333   11.549  1124.73   39.992  1242.57   62.913  1044.82   51.806  677.382   17.188  621.285   15.431 56.09735 23.09852 
1 1 1   21    5    3 o  323.306   6.8686  282.517   12.000   0.0000   0.0000  282.517   12.000  ?   ?   323.306   6.8686      ?      ? 
1 1 1   21    5    4 o  224.735   6.0510  136.497   7.3483   0.0000   0.0000  136.497   7.3483  ?   ?   224.735   6.0510      ?      ? 
1 1 1   21    5    5 o  1184.05   14.214  3799.21   90.928  3748.54  127.056  3852.40  130.184  1175.98   19.994  1192.12   20.209 -16.13806 28.42868 
1 1 1   21    5    6 o  930.732   11.285  2343.99   56.732  2298.39   78.827  2392.99   81.714  921.363   15.833  940.100   16.086 -18.73761 22.57025 
1 1 1   21    5    7 o  494.742   7.8771  654.557   19.647  682.658   35.081  641.716   23.715  502.301   12.925  487.183   9.0082 15.11728 15.75418 
1 1 1   21    5    8 o  229.862   8.1440  142.838   10.116  142.838   10.116   0.0000   0.0000  229.862   8.1440  ?   ?       ?      ? 
1 1 1   21    5    9 o  512.753   8.0550  712.184   21.330  714.665   26.538  707.658   35.848  514.102   9.5530  511.403   12.972 2.698608 16.11008 
1 1 1   21    5   10 o  611.337   9.4363  995.592   29.051  969.102   34.978  1054.50   52.161  598.595   10.814  624.079   15.467 -25.48431 18.87264 
1 1 1   21    5   11 o  614.120   7.7642  1019.96   25.764  1007.55   36.232  1032.65   36.643  610.343   10.986  617.898   10.975 -7.554626 15.52835 
1 1 1   21    5   12 o  182.265   5.9091   89.784   5.8199   0.0000   0.0000   89.784   5.8199  ?   ?   182.265   5.9091      ?      ? 
1 1 1   21    5   13 o  837.326   14.446  1897.88   65.365   0.0000   0.0000  1897.88   65.365  ?   ?   837.326   14.446      ?      ? 
1 1 1   21    5   14 o  517.724   6.8074  724.780   19.043  714.086   26.816  735.660   27.048  513.870   9.6572  521.578   9.5970 -7.707397 13.61478 
1 1 1   21    5   15 o  658.595   8.2716  1172.15   29.414  1139.93   40.628  1207.64   42.641  649.105   11.583  668.085   11.811 -18.98022 16.54325 
1 1 1   21    5   16 o  532.773   6.9524  765.572   19.981  732.115   27.301  804.172   29.323  520.278   9.7107  545.267   9.9522 -24.98871 13.90481 
1 1 1   21    5   17 o  423.387   8.5497  484.742   19.560   0.0000   0.0000  484.742   19.560  ?   ?   423.387   8.5497      ?      ? 
1 1 1   21    5   20 o  443.848   8.9703  532.785   21.514   0.0000   0.0000  532.785   21.514  ?   ?   443.848   8.9703      ?      ? 
1 1 1   21    5   21 o  246.354   7.8633  164.110   10.468   0.0000   0.0000  164.110   10.468  ?   ?   246.354   7.8633      ?      ? 
1 1 1   21    5   22 o  454.367   9.1309  558.432   22.419   0.0000   0.0000  558.432   22.419  ?   ?   454.367   9.1309      ?      ? 
1 1 1   21    5   23 o  966.181   16.732  2531.96   87.355   0.0000   0.0000  2531.96   87.355  ?   ?   966.181   16.732      ?      ? 
1 1 1   21    5   26 o  320.804   8.2688  278.404   14.334   0.0000   0.0000  278.404   14.334  ?   ?   320.804   8.2688      ?      ? 
1 1 1   21    5   27 o   59.793   20.334   8.9926   7.8548   0.0000   0.0000   8.9926   7.8548  ?   ?    59.793   20.334      ?      ? 
1 1 1   21    5   28 o  251.528   8.3559  171.234   11.357   0.0000   0.0000  171.234   11.357  ?   ?   251.528   8.3559      ?      ? 
1 1 1   21    5   29 o  438.466   9.1489  520.600   21.677   0.0000   0.0000  520.600   21.677  ?   ?   438.466   9.1489      ?      ? 
1 1 1   21    5   30 o  111.087   13.656   33.521   8.1975   0.0000   0.0000   33.521   8.1975  ?   ?   111.087   13.656      ?      ? 
1 1 1   21    5   31 o  435.409   8.7004  514.346   20.462  530.180   29.441  499.549   28.460  441.882   12.330  428.937   12.279 12.94577 17.40081 
1 1 1   21    5   32 o  375.124   5.3316  380.785   10.801  374.442   14.973  387.666   15.596  371.879   7.4510  378.369   7.6279 -6.490631 10.66313 
1 1 1   21    5   33 o   93.818   5.3744   23.846   2.7213   25.374   3.8719   22.354   3.8256   96.795   7.4026   90.842   7.7934 5.952522 10.74876 
1 1 1   21    5   34 o  417.123   6.9033  466.833   14.711  488.739   25.605  456.037   17.975  424.052   11.174  410.195   8.1092 13.85641 13.80655 
1 1 1   21    5   35 o  493.278   9.0094  661.192   23.962  695.270   35.344  632.207   32.597  504.927   12.954  481.629   12.525 23.29819 18.01880 
1 1 1   21    5   36 o  283.366   6.1440  215.461   9.3370  198.401   12.317  238.514   14.317  270.371   8.4303  296.362   8.9401 -25.99106 12.28800 
1 1 1   21    5   37 o   65.774   9.5296   12.341   3.3052   14.480   4.4777   9.7815   4.8991   72.899   11.367   58.648   15.299 14.25112 19.05920 
1 1 1   21    5   38 o  294.384   5.6332  236.878   8.6376  241.547   10.915  229.054   14.130  298.487   6.7669  290.281   9.0079 8.205719 11.26650 
1 1 1   21    5   39 o  164.031   4.7893   73.091   4.2288   74.223   5.7597   71.767   6.2287  165.442   6.4427  162.620   7.0882 2.822403 9.578672 
1 1 1   21    5   40 o  133.403   5.2221   48.617   3.7335   50.975   5.0459   45.763   5.5501  137.051   6.8135  129.755   7.9156 7.296265 10.44418 
1 1 1   21    5   41 o  303.591   4.9180  250.287   8.0645  250.763   11.248  249.783   11.569  303.912   6.8489  303.271   7.0596 0.6402588 9.835966 
1 1 1   21    5   42 o  238.242   4.6941  154.340   6.0342  163.509   8.5170  145.100   8.5504  245.395   6.4229  231.090   6.8473 14.30464 9.388267 
1 1 1   21    5   43 f  151.836   5.0283   62.854   4.1067   64.308   5.5864   61.145   6.0578  153.805   6.7216  149.866   7.4804 3.939407 10.05668 
1 1 1   21    5   44 f  182.894   7.0584   91.036   6.9758   0.0000   0.0000   91.036   6.9758  ?   ?   182.894   7.0584      ?      ? 
1 1 1   21    5   45 o   93.021   7.0107   23.445   3.5003   20.810   4.6447   26.908   5.3250   87.058   9.8733   98.983   9.9557 -11.92506 14.02132 
1 1 1   21    5   46 o  192.301   4.9046  101.045   5.0613  116.135   7.2303   86.545   7.0874  206.523   6.4789  178.080   7.3652 28.44264 9.809278 
1 1 1   21    5   47 o  267.812   4.8867  195.766   7.0671  203.727   9.9858  187.777   10.003  273.325   6.7611  262.299   7.0573 11.02576 9.773331 
1 1 1   21    5   48 o   90.771   7.6363   23.000   3.7037   24.137   4.9644   21.572   5.5622   93.518   9.8239   88.024   11.694 5.493301 15.27260 
1 1 1   21    5   49 o  220.746   4.8928  133.390   5.8252  141.489   8.1906  125.100   8.2865  227.631   6.6588  213.862   7.1705 13.76923 9.785501 
1 1 1   21    5   50 o   51.467   11.652   7.6064   3.6441   7.4325   4.8497   7.8319   5.5228   50.695   15.904   52.239   17.034 -1.543926 23.30462 
1 1 1   21    5   51 o   70.635   10.408   14.676   3.8167   13.890   5.0556   15.717   5.8201   68.630   14.104   72.640   15.310 -4.009377 20.81631 
1 1 1   21    5   52 o   76.828   9.9463   16.911   3.9640   11.098   5.2961   24.315   5.9774   60.727   15.938   92.929   11.904 -32.20166 19.89262 
1 1 1   21    5   53 o  143.166   6.2743   57.672   4.7794   64.648   6.5127   49.530   7.0359  153.081   7.8732  133.251   9.7715 19.82970 12.54869 
1 1 1   21    5   54 o  170.816   9.0100   83.512   8.2831   84.257   11.265   82.635   12.222  172.100   12.113  169.531   13.342 2.569366 18.01993 
1 1 1   21    5   55 o   69.144   15.811   15.805   6.7461   12.514   8.9301   20.180   10.296   62.059   21.657   76.229   23.042 -14.17069 31.62214 
1 1 1   21    5   56 o   63.734   15.237   12.359   5.8996   15.998   10.520   10.690   7.1256   68.988   23.532   58.480   19.362 10.50837 30.47338 
1 1 1   21    5   57 o   35.454   11.242  -3.4302   4.5698  -7.9501   5.9769   2.9300   7.0900   27.643   13.338   43.265   18.100 -15.62150 22.48373 
1 1 1   21    5   58 o   45.804   11.088   2.6037   4.6557   13.798   6.2458 -11.3942   6.9842   63.979   17.542   27.629   13.567 36.35049 22.17602 
1 1 1   21    5   59 o  156.999   6.7183   71.085   5.6113   83.341   7.8537   58.304   8.0200  171.845   8.4576  142.152   10.441 29.69208 13.43653 
1 1 1   21    6    0 f  1148.42   17.092  3528.58   97.714  3711.71  178.855  3450.66  116.663  1168.36   28.329  1128.47   19.132 39.88904 34.18436 
1 1 1   21    6    1 o  310.650   6.8760  260.835   11.542   0.0000   0.0000  260.835   11.542  ?   ?   310.650   6.8760      ?      ? 
1 1 1   21    6    2 o  405.247   7.8222  438.348   16.990  400.676   22.355  489.865   26.142  384.914   10.748  425.580   11.368 -40.66592 15.64437 
1 1 1   21    6    3 o  393.425   7.6365  418.281   16.228  406.306   22.577  431.081   23.343  387.605   10.779  399.246   10.820 -11.64093 15.27307 
1 1 1   21    6    4 o  386.162   7.5121  402.444   15.658  385.135   21.538  421.847   22.804  377.376   10.562  394.948   10.685 -17.57239 15.02427 
1 1 1   21    6    5 o  182.740   5.7615   90.262   5.6524   77.050   7.8418  104.549   8.1548  168.818   8.5962  196.663   7.6737 -27.84499 11.52303 
1 1 1   21    6    6 o  1285.21   18.858  4490.81  123.654  4491.86  151.725  4488.74  213.391  1286.74   21.821  1283.69   30.763 3.050415 37.71643 
1 1 1   21    6    7 o  1025.28   12.392  2838.92   68.486  2728.61   93.013  2969.52  101.215  1003.66   17.150  1046.91   17.892 -43.25134 24.78378 
1 1 1   21    6    8 o  1131.95   16.566  3507.20   96.889  3378.38  161.262  3579.97  121.205  1114.72   26.772  1149.18   19.518 -34.45776 33.13158 
1 1 1   21    6    9 o  683.159   8.5432  1261.96   31.520  1280.11   45.474  1245.17   43.729  687.875   12.234  678.443   11.928 9.431641 17.08636 
1 1 1   21    6   10 o  740.656   11.152  1481.59   42.172  1473.80   51.701  1497.07   72.900  738.019   12.964  743.293   18.150 -5.274475 22.30456 
1 1 1   21    6   11 f  642.421   8.0985  1112.90   28.054  1065.73   38.192  1168.17   41.344  627.695   11.260  657.146   11.643 -29.45129 16.19695 
1 1 1   21    6   12 o  291.239   4.8589  228.450   7.6310  209.932   10.467  249.456   11.149  278.685   6.9508  303.792   6.7913 -25.10623 9.717805 
1 1 1   21    6   13 o  345.161   5.3022  322.197   9.8823  317.900   14.189  326.244   13.772  342.921   7.6570  347.400   7.3363 -4.479156 10.60432 
1 1 1   21    6   14 o  535.045   9.7990  774.223   28.331   0.0000   0.0000  774.223   28.331  ?   ?   535.045   9.7990      ?      ? 
1 1 1   21    6   15 o  922.165   15.866  2303.99   79.063   0.0000   0.0000  2303.99   79.063  ?   ?   922.165   15.866      ?      ? 
1 1 1   21    6   16 f   67.226   8.6079   12.221   3.1270   0.0000   0.0000   12.221   3.1270  ?   ?    67.226   8.6079      ?      ? 
1 1 1   21    6   17 o  373.029   8.1859  376.269   16.501   0.0000   0.0000  376.269   16.501  ?   ?   373.029   8.1859      ?      ? 
1 1 1   21    6   20 o  183.945   9.4273   91.525   9.3705   0.0000   0.0000   91.525   9.3705  ?   ?   183.945   9.4273      ?      ? 
1 1 1   21    6   21 o  648.555   11.830  1138.65   41.461   0.0000   0.0000  1138.65   41.461  ?   ?   648.555   11.830      ?      ? 
1 1 1   21    6   24 o  137.403   11.705   51.132   8.6905   0.0000   0.0000   51.132   8.6905  ?   ?   137.403   11.705      ?      ? 
1 1 1   21    6   26 o  132.151   12.220   47.321   8.7262   0.0000   0.0000   47.321   8.7262  ?   ?   132.151   12.220      ?      ? 
1 1 1   21    6   28 o   64.369   20.977   10.926   8.3762   0.0000   0.0000   10.926   8.3762  ?   ?    64.369   20.977      ?      ? 
1 1 1   21    6   29 o  671.221   17.139  1227.25   62.162   0.0000   0.0000  1227.25   62.162  ?   ?   671.221   17.139      ?      ? 
1 1 1   21    6   33 o  628.532   11.157  1078.22   37.862  1050.68   52.299  1108.56   54.885  620.182   15.606  636.882   15.948 -16.70001 22.31327 
1 1 1   21    6   34 o  136.462   5.5033   50.790   4.0316   46.441   5.8739   54.662   5.5435  130.875   8.3058  142.048   7.2221 -11.17264 11.00659 
1 1 1   21    6   35 o  110.060   5.7589   32.627   3.4100   30.473   4.5686   35.338   5.1238  105.995   7.9765  114.125   8.3086 -8.129799 11.51771 
1 1 1   21    6   36 o  298.736   4.8294  241.865   7.7949  243.838   10.967  239.849   11.082  299.976   6.7656  297.496   6.8934 2.480286 9.658738 
1 1 1   21    6   37 o  164.986   4.6008   73.771   4.0987   74.037   5.6941   73.485   5.9046  165.305   6.3746  164.668   6.6358 0.6371918 9.201590 
1 1 1   21    6   38 o  226.391   4.5665  138.773   5.5810  135.218   7.6916  142.725   8.1106  223.343   6.3731  229.439   6.5418 -6.095581 9.133044 
1 1 1   21    6   39 o  148.479   4.8827   59.943   3.9074   61.770   5.3883   57.916   5.6747  150.898   6.6081  146.060   7.1900 4.838394 9.765380 
1 1 1   21    6   40 o  139.367   5.1918   53.074   3.8775   60.627   5.4675   45.431   5.4999  149.458   6.7698  129.275   7.8732 20.18350 10.38354 
1 1 1   21    6   41 o  183.429   4.7739   91.621   4.7170   98.681   6.6151   84.318   6.7279  190.682   6.4201  176.176   7.0671 14.50587 9.547878 
1 1 1   21    6   42 o  229.821   4.6867  143.606   5.8143  151.150   8.2252  136.070   8.2203  235.892   6.4527  223.750   6.7988 12.14140 9.373482 
1 1 1   21    6   43 f  137.212   5.2628   51.250   3.8857   51.129   5.2575   51.395   5.7683  137.081   7.0977  137.343   7.7724 -0.2613831 10.52558 
1 1 1   21    6   44 o  114.104   5.9697   35.756   3.6587   38.138   5.0243   33.068   5.3385  118.252   7.8628  109.955   8.9849 8.297096 11.93949 
1 1 1   21    6   45 o  233.955   4.7744  149.286   6.0271  156.459   8.4532  141.870   8.5957  239.741   6.5251  228.170   6.9716 11.57077 9.548882 
1 1 1   21    6   46 o  258.421   4.8539  182.158   6.7733  185.943   9.4663  178.187   9.6955  261.226   6.7062  255.617   7.0193 5.609131 9.707890 
1 1 1   21    6   47 o  178.087   4.9999   86.448   4.7879   85.023   6.4357   88.215   7.1651  176.531   6.7466  179.644   7.3811 -3.112396 9.999892 
1 1 1   21    6   48 o  128.345   6.0049   44.930   4.1376   42.749   5.4954   47.785   6.2872  124.855   8.1452  131.835   8.8255 -6.980339 12.00977 
1 1 1   21    6   49 o  155.211   5.5196   66.821   4.5729   76.121   6.3386   56.727   6.6036  166.820   7.0316  143.602   8.5101 23.21843 11.03927 
1 1 1   21    6   50 o   58.787   11.341   10.364   3.7003   10.845   5.0016   9.7822   5.4999   60.311   15.318   57.264   16.727 3.046944 22.68107 
1 1 1   21    6   51 o   63.738   10.164   13.144   3.8233   19.886   4.9941   3.5954   5.9428   84.292   10.964   43.183   17.117 41.10899 20.32728 
1 1 1   21    6   52 o  102.684   7.6108   29.373   4.1839   28.630   5.5249   30.372   6.4065  101.382   10.085  103.986   11.401 -2.603722 15.22165 
1 1 1   21    6   53 o  301.396   5.3299  250.419   8.6751  260.133   12.261  240.680   12.276  307.372   7.3818  295.420   7.6902 11.95218 10.65972 
1 1 1   21    6   54 o   99.369   12.331   30.157   5.2897   30.188   5.9976   30.045   11.224  103.426   10.732   95.313   22.205 8.113075 24.66195 
1 1 1   21    6   55 o   82.904   13.956   23.593   7.1270   36.194   9.6279   8.3176   10.600  109.494   16.272   56.314   22.678 53.18015 27.91203 
1 1 1   21    6   56 o  117.915   13.872   45.521   8.1899   54.662   10.896   33.649   12.417  136.302   14.793   99.527   23.470 36.77504 27.74339 
1 1 1   21    6   57 o  107.017   12.499   40.358   6.2658   24.730   10.251   49.678   7.9167   82.986   22.358  131.047   11.180 -48.06012 24.99720 
1 1 1   21    6   58 o   98.097   9.3913   28.376   4.9373   26.108   6.4967   31.476   7.5964   93.836   12.813  102.359   13.734 -8.522652 18.78253 
1 1 1   21    6   59 o  101.023   10.035   32.722   5.0306   40.524   6.8164   23.389   7.4550  117.888   10.700   84.158   16.979 33.72941 20.06933 
1 1 1   21    7    0 o  884.108   13.287  2114.20   59.475  2129.73  104.436  2106.75   72.354  886.046   21.813  882.170   15.178 3.876404 26.57382 
1 1 1   21    7    1 o  244.230   7.0151  161.228   9.2580  161.228   9.2580   0.0000   0.0000  244.230   7.0151  ?   ?       ?      ? 
1 1 1   21    7    2 o  442.393   8.4793  529.107   20.270   0.0000   0.0000  529.107   20.270  ?   ?   442.393   8.4793      ?      ? 
1 1 1   21    7    3 o  118.321   5.9466   37.711   3.7660   38.823   5.7721   36.886   4.9695  119.830   8.9142  116.812   7.8729 3.018288 11.89313 
1 1 1   21    7    4 o   36.722   10.653   1.2209   3.3488  -1.2113   5.7249   2.4860   4.1289   35.908   15.663   37.537   14.444 -1.628498 21.30602 
1 1 1   21    7    5 o  649.906   11.442  1140.38   40.098  1093.69   54.601  1195.05   59.078  635.535   15.899  664.277   16.459 -28.74237 22.88377 
1 1 1   21    7    6 o  1124.17   19.120  3432.25  116.037  3346.85  159.993  3527.03  168.542  1109.52   26.686  1138.81   27.389 -29.28589 38.23947 
1 1 1   21    7    7 o  438.688   8.2353  520.554   19.521  513.063   27.508  528.153   27.707  435.507   11.689  441.869   11.604 -6.361969 16.47067 
1 1 1   21    7    8 o  449.330   8.3743  546.192   20.331  544.369   28.924  547.973   28.584  448.585   11.932  450.076   11.753 -1.490753 16.74860 
1 1 1   21    7    9 o  549.828   9.8514  816.779   29.237  789.189   40.203  847.748   42.594  540.001   13.778  559.656   14.085 -19.65460 19.70285 
1 1 1   21    7   10 o  315.808   6.5746  269.445   11.213  257.432   15.623  282.207   16.104  308.553   9.3704  323.063   9.2247 -14.51022 13.14915 
1 1 1   21    7   11 o  457.882   8.4692  561.124   20.812  517.568   27.537  619.144   31.782  437.399   11.651  478.364   12.295 -40.96524 16.93837 
1 1 1   21    7   12 o  634.049   11.132  1087.51   38.108  1057.66   52.598  1120.49   55.288  624.918   15.576  643.180   15.908 -18.26294 22.26376 
1 1 1   21    7   13 o  880.079   13.166  2088.71   58.904  2066.46   71.814  2134.46  102.973  873.487   15.215  886.671   21.492 -13.18457 26.33211 
1 1 1   21    7   14 o  173.024   5.0524   80.472   4.7102   88.485   6.9641   73.716   6.3948  180.917   7.1235  165.130   7.1666 15.78720 10.10473 
1 1 1   21    7   15 o   45.309   9.6748   5.3907   2.5275   6.7270   4.0501   4.5383   3.2348   49.367   14.335   41.251   12.997 8.115238 19.34967 
1 1 1   21    7   16 o  327.125   9.0747  289.414   16.041   0.0000   0.0000  289.414   16.041  ?   ?   327.125   9.0747      ?      ? 
1 1 1   21    7   17 o  465.182   12.873  585.811   32.358   0.0000   0.0000  585.811   32.358  ?   ?   465.182   12.873      ?      ? 
1 1 1   21    7   18 o  252.721   10.561  172.793   14.422   0.0000   0.0000  172.793   14.422  ?   ?   252.721   10.561      ?      ? 
1 1 1   21    7   19 o  768.607   19.168  1603.83   79.612   0.0000   0.0000  1603.83   79.612  ?   ?   768.607   19.168      ?      ? 
1 1 1   21    7   20 o  681.232   17.276  1259.01   63.594   0.0000   0.0000  1259.01   63.594  ?   ?   681.232   17.276      ?      ? 
1 1 1   21    7   21 o  268.311   11.214  194.842   16.259   0.0000   0.0000  194.842   16.259  ?   ?   268.311   11.214      ?      ? 
1 1 1   21    7   29 f  332.306   14.534  300.225   26.097   0.0000   0.0000  300.225   26.097  ?   ?   332.306   14.534      ?      ? 
1 1 1   21    7   30 o  327.459   14.057  291.667   24.874   0.0000   0.0000  291.667   24.874  ?   ?   327.459   14.057      ?      ? 
1 1 1   21    7   31 o  217.796   10.688  128.739   12.578  128.739   12.578   0.0000   0.0000  217.796   10.688  ?   ?       ?      ? 
1 1 1   21    7   32 o  335.730   7.8243  302.358   14.106  348.649   21.340  266.441   18.798  358.273   11.023  313.187   11.107 45.08630 15.64864 
1 1 1   21    7   33 o  188.739   6.0774   96.419   6.1982   0.0000   0.0000   96.419   6.1982  ?   ?   188.739   6.0774      ?      ? 
1 1 1   21    7   34 o  569.277   10.373  880.956   31.908   0.0000   0.0000  880.956   31.908  ?   ?   569.277   10.373      ?      ? 
1 1 1   21    7   35 o  154.990   6.5625   65.082   5.4961   0.0000   0.0000   65.082   5.4961  ?   ?   154.990   6.5625      ?      ? 
1 1 1   21    7   36 o  111.110   5.7272   32.911   3.4040   40.180   5.1901   27.424   4.5093  121.700   7.8921  100.521   8.3017 21.17878 11.45445 
1 1 1   21    7   37 o   91.675   6.5830   22.834   3.2577   23.299   4.7344   22.417   4.4895   92.549   9.4668   90.800   9.1501 1.748718 13.16605 
1 1 1   21    7   38 o  169.842   6.7919   78.255   6.2334   0.0000   0.0000   78.255   6.2334  ?   ?   169.842   6.7919      ?      ? 
1 1 1   21    7   39 o  262.463   4.7360  186.901   6.7160  191.260   9.5488  182.634   9.4476  265.498   6.6558  259.428   6.7394 6.070587 9.471985 
1 1 1   21    7   40 o  108.222   6.1117   31.990   3.5422   37.419   5.0651   26.794   4.9554  117.297   7.9913   99.147   9.2495 18.15002 12.22345 
1 1 1   21    7   41 o  196.070   6.7871  104.437   7.1909   0.0000   0.0000  104.437   7.1909  ?   ?   196.070   6.7871      ?      ? 
1 1 1   21    7   42 o  202.982   4.7639  112.124   5.2187  117.844   7.3508  106.311   7.4104  208.245   6.5324  197.720   6.9359 10.52492 9.527763 
1 1 1   21    7   43 o   48.231   10.827   6.2304   3.2310   4.3331   4.4321   8.3824   4.7203   42.402   15.214   54.060   15.409 -11.65771 21.65423 
1 1 1   21    7   44 o   93.249   10.536   23.919   5.3090   0.0000   0.0000   23.919   5.3090  ?   ?    93.249   10.536      ?      ? 
1 1 1   21    7   45 o  174.479   5.0811   83.241   4.7747   86.145   6.5652   79.981   6.9567  177.796   6.8334  171.162   7.5215 6.633102 10.16212 
1 1 1   21    7   46 o  249.101   4.9234  169.457   6.6186  174.055   9.2125  164.552   9.5152  252.669   6.7474  245.532   7.1717 7.137131 9.846862 
1 1 1   21    7   47 o  148.024   5.6533   59.955   4.5030   59.132   6.0778   60.957   6.7046  146.986   7.6521  149.062   8.3237 -2.075974 11.30656 
1 1 1   21    7   48 o  230.384   4.9602  145.141   6.1713  148.336   8.6429  141.817   8.8147  233.028   6.8637  227.740   7.1628 5.288666 9.920485 
1 1 1   21    7   49 o   37.315   10.899   1.4382   3.6322   3.0362   4.8488  -0.6049   5.4828   39.712   15.548   34.918   15.277 4.794056 21.79731 
1 1 1   21    7   50 o  289.895   5.1211  230.482   8.0173  230.639   11.150  230.314   11.536  290.073   7.1134  289.716   7.3690 0.3562317 10.24220 
1 1 1   21    7   51 o  206.467   5.1346  117.362   5.7087  125.742   7.9685  108.526   8.1824  214.225   6.8837  198.709   7.6204 15.51691 10.26914 
1 1 1   21    7   52 o   79.846   9.7048   18.606   4.0378   19.112   5.3605   17.943   6.1390   82.172   12.072   77.521   15.199 4.651436 19.40968 
1 1 1   21    7   53 o  110.024   7.6067   33.934   4.4912   33.155   5.9830   34.939   6.7979  108.809   10.176  111.239   11.309 -2.430145 15.21332 
1 1 1   21    7   54 o   62.445   12.091   12.651   4.3316   15.426   5.6703   8.7617   6.7124   70.989   15.238   53.901   18.778 17.08810 24.18290 
1 1 1   21    7   55 o  197.710   7.7065  107.444   7.0807  104.161   8.1116  117.950   14.513  193.907   7.7415  201.513   13.328 -7.606049 15.41309 
1 1 1   21    7   56 o   96.833   16.043   32.439   8.2450   36.126   10.804   27.297   12.759  106.406   19.509   87.260   25.473 19.14607 32.08563 
1 1 1   21    7   57 o  218.795   9.0627  143.618   10.634  144.167   14.252  142.928   15.972  220.681   11.952  216.909   13.627 3.772598 18.12550 
1 1 1   21    7   58 o   33.746   10.980  -2.8078   4.5408  -3.4759   5.9617  -1.8848   7.0075   31.460   14.608   36.032   16.398 -4.571527 21.96096 
1 1 1   21    7   59 o   44.760   12.723   5.4367   4.7348   6.5548   6.1777   3.8448   7.3714   46.399   17.712   43.121   18.270 3.277939 25.44628 
1 1 1   21    8    0 o  595.236   7.6362  958.048   24.559  943.078   34.434  973.547   35.037  590.505   10.791  599.968   10.807 -9.462280 15.27234 
1 1 1   21    8    1 o  784.840   9.6793  1666.99   41.049  1666.40   58.234  1667.58   57.872  784.697   13.734  784.983   13.643 -0.2859497 19.35857 
1 1 1   21    8    2 o  489.531   6.6043  648.019   17.467  644.969   24.919  650.966   24.490  488.394   9.4421  490.668   9.2366 -2.273590 13.20866 
1 1 1   21    8    3 o  483.280   6.5366  631.327   17.067  614.942   23.926  648.301   24.352  476.896   9.2845  489.664   9.2035 -12.76761 13.07314 
1 1 1   21    8    4 o  283.587   4.9957  217.558   7.6324  215.013   11.203  219.763   10.427  282.033   7.3507  285.141   6.7672 -3.108704 9.991373 
1 1 1   21    8    6 o  536.268   9.9164  777.679   28.736   0.0000   0.0000  777.679   28.736  ?   ?   536.268   9.9164      ?      ? 
1 1 1   21    8    8 o  313.576   5.2498  266.078   8.8840  251.301   12.594  280.712   12.534  304.897   7.6443  322.255   7.1977 -17.35815 10.49958 
1 1 1   21    8    9 o  415.490   7.0451  463.778   15.013  476.577   25.819  457.241   18.452  419.732   11.384  411.247   8.3035 8.485229 14.09020 
1 1 1   21    8   10 o  474.834   7.6948  614.944   19.024  590.541   31.100  629.533   24.047  467.166   12.320  482.501   9.2231 -15.33505 15.38969 
1 1 1   21    8   11 f  692.937   12.088  1300.65   45.248  1277.93   63.054  1324.78   64.970  686.712   16.992  699.161   17.197 -12.44830 24.17563 
1 1 1   21    8   12 o  964.795   16.499  2527.81   85.956  2472.97  118.902  2587.84  124.405  953.910   23.067  975.680   23.596 -21.76990 32.99811 
1 1 1   21    8   13 o  249.833   8.5625  168.784   11.559  168.784   11.559   0.0000   0.0000  249.833   8.5625  ?   ?       ?      ? 
1 1 1   21    8   14 o  376.506   7.2980  378.838   14.716  417.793   22.719  350.676   19.317  392.961   10.699  360.051   9.9284 32.91016 14.59596 
1 1 1   21    8   15 o  358.124   7.0165  340.776   13.413  386.036   21.064  309.910   17.395  377.752   10.319  338.495   9.5100 39.25681 14.03301 
1 1 1   21    8   16 f  393.507   7.4556  418.145   15.829  432.432   23.166  405.631   21.680  399.792   10.723  387.222   10.361 12.57001 14.91118 
1 1 1   21    8   17 o  385.276   10.279  401.577   21.400   0.0000   0.0000  401.577   21.400  ?   ?   385.276   10.279      ?      ? 
1 1 1   21    8   20 o  158.197   20.779   68.018   17.763   0.0000   0.0000   68.018   17.763  ?   ?   158.197   20.779      ?      ? 
1 1 1   21    8   21 o  402.914   13.820  439.865   30.089   0.0000   0.0000  439.865   30.089  ?   ?   402.914   13.820      ?      ? 
1 1 1   21    8   22 o  588.036   16.185  938.513   51.428   0.0000   0.0000  938.513   51.428  ?   ?   588.036   16.185      ?      ? 
1 1 1   21    8   23 o  253.932   14.548  174.887   19.962   0.0000   0.0000  174.887   19.962  ?   ?   253.932   14.548      ?      ? 
1 1 1   21    8   24 o  609.160   11.411  1005.04   37.563   0.0000   0.0000  1005.04   37.563  ?   ?   609.160   11.411      ?      ? 
1 1 1   21    8   26 o  245.771   9.0080  163.541   11.963   0.0000   0.0000  163.541   11.963  ?   ?   245.771   9.0080      ?      ? 
1 1 1   21    8   27 o  345.793   8.7795  323.741   16.405   0.0000   0.0000  323.741   16.405  ?   ?   345.793   8.7795      ?      ? 
1 1 1   21    8   28 o  272.438   8.8046  200.991   12.962   0.0000   0.0000  200.991   12.962  ?   ?   272.438   8.8046      ?      ? 
1 1 1   21    8   31 o   55.963   20.922   6.5641   8.5175   0.0000   0.0000   6.5641   8.5175  ?   ?    55.963   20.922      ?      ? 
1 1 1   21    8   32 o  253.130   7.5407  173.804   10.292  170.563   14.040  177.568   15.130  250.620   10.368  255.639   10.953 -5.019531 15.08134 
1 1 1   21    8   33 o  455.893   6.1910  563.875   15.251  564.649   21.589  563.104   21.549  456.205   8.7574  455.582   8.7533 0.6234741 12.38193 
1 1 1   21    8   34 o   36.939   10.097   2.3511   2.7422   2.9304   4.7038   2.0529   3.3751   40.031   15.413   33.846   13.049 6.184570 20.19471 
1 1 1   21    8   35 o  262.090   6.5701  186.108   9.3049   0.0000   0.0000  186.108   9.3049  ?   ?   262.090   6.5701      ?      ? 
1 1 1   21    8   36 o  245.257   6.5493  163.018   8.6798   0.0000   0.0000  163.018   8.6798  ?   ?   245.257   6.5493      ?      ? 
1 1 1   21    8   37 o  199.829   6.5320  108.275   7.0533   0.0000   0.0000  108.275   7.0533  ?   ?   199.829   6.5320      ?      ? 
1 1 1   21    8   38 o  171.352   6.8275   79.677   6.3218   0.0000   0.0000   79.677   6.3218  ?   ?   171.352   6.8275      ?      ? 
1 1 1   21    8   39 o   88.073   9.8003   21.159   4.6641   0.0000   0.0000   21.159   4.6641  ?   ?    88.073   9.8003      ?      ? 
1 1 1   21    8   40 o  147.059   5.2653   58.722   4.1783   60.054   6.0976   57.543   5.7368  148.611   7.5932  145.506   7.2963 3.104736 10.53052 
1 1 1   21    8   41 o   65.963   9.8790   12.484   3.4080   12.502   4.9517   12.468   4.6975   65.939   14.308   65.987   13.625 -0.4847717E-01 19.75794 
1 1 1   21    8   42 o  142.064   5.4506   54.988   4.1832   54.810   5.9782   55.160   5.8554  141.824   7.8008  142.304   7.6147 -0.4805908 10.90117 
1 1 1   21    8   43 o  250.725   4.8611  171.027   6.5843  176.658   9.3926  165.586   9.2327  254.795   6.8219  246.654   6.9271 8.140915 9.722294 
1 1 1   21    8   44 o  261.002   6.9967  185.654   9.8679   0.0000   0.0000  185.654   9.8679  ?   ?   261.002   6.9967      ?      ? 
1 1 1   21    8   45 o   50.553   11.478   7.1421   3.5752   6.1228   5.1193   8.1126   4.9951   47.959   16.415   53.148   16.046 -5.189213 22.95504 
1 1 1   21    8   46 o  182.717   5.1784   91.269   5.1096   95.130   7.2372   87.433   7.2151  186.612   7.1770  178.823   7.4667 7.789200 10.35671 
1 1 1   21    8   47 o  166.067   5.3813   75.287   4.8227   71.060   6.6285   80.042   7.0297  161.126   7.6131  171.008   7.6074 -9.882233 10.76254 
1 1 1   21    8   48 o  182.480   7.4697   91.220   7.3656   0.0000   0.0000   91.220   7.3656  ?   ?   182.480   7.4697      ?      ? 
1 1 1   21    8   49 o  128.426   6.5814   46.341   4.4248   59.953   6.3089   33.162   6.2077  147.706   7.9044  109.146   10.525 38.56003 13.16285 
1 1 1   21    8   50 o  106.559   7.3359   31.995   4.1736   36.218   5.7777   27.388   6.0355  114.300   9.3546   98.819   11.303 15.48143 14.67187 
1 1 1   21    8   51 o   97.130   7.8360   26.493   4.0979   27.307   5.6206   25.570   5.9872   98.898   10.517   95.363   11.619 3.534836 15.67198 
1 1 1   21    8   52 o   73.927   10.621   17.069   4.1571   23.434   5.6936   9.8023   6.0838   91.036   11.574   56.818   17.812 34.21841 21.24171 
1 1 1   21    8   53 o   77.024   10.745   18.019   4.3385   20.733   5.8899   14.798   6.4149   85.031   12.819   69.017   17.249 16.01427 21.49037 
1 1 1   21    8   54 o  209.403   5.6175  119.978   6.3068  106.273   8.3224  138.466   9.6661  195.622   7.8731  223.184   8.0149 -27.56268 11.23495 
1 1 1   21    8   55 o   65.529   15.177   13.992   5.6955   14.647   6.3715   11.387   12.706   68.340   17.251   62.718   24.975 5.622330 30.35387 
1 1 1   21    8   56 f   48.434   15.219   1.6203   7.8282   1.4759   10.040   1.8441   12.502   46.415   20.478   50.453   22.521 -4.038036 30.43884 
1 1 1   21    8   57 o   53.512   15.844   7.9674   7.5775   7.3446   9.7842   8.9009   11.978   51.727   21.420   55.298   23.352 -3.570522 31.68759 
1 1 1   21    8   58 o  157.443   8.5235   73.731   6.8674   71.464   11.567   74.965   8.5342  153.237   13.969  161.648   9.7703 -8.411041 17.04690 
1 1 1   21    9    0 o  845.467   10.406  1932.80   47.505  1880.58   65.642  1990.22   68.836  833.507   14.574  857.427   14.857 -23.92023 20.81190 
1 1 1   21    9    1 o   88.929   8.7723   21.047   4.1804   24.932   6.3837   18.131   5.5315   95.997   12.306   81.861   12.505 14.13652 17.54469 
1 1 1   21    9    2 o  523.674   6.9513  741.568   19.670  732.306   27.769  750.895   27.865  520.390   9.8752  526.958   9.7858 -6.567322 13.90253 
1 1 1   21    9    3 o  687.703   8.6604  1279.38   32.181  1264.29   45.250  1294.81   45.777  683.602   12.250  691.805   12.245 -8.202759 17.32074 
1 1 1   21    9    4 o  165.279   5.7717   74.700   5.0958   64.849   7.4329   83.436   6.9996  154.870   8.8818  175.688   7.3730 -20.81766 11.54331 
1 1 1   21    9    5 o  527.622   6.9992  752.749   19.949  755.754   28.604  749.903   27.836  528.642   10.013  526.603   9.7821 2.039307 13.99832 
1 1 1   21    9    6 o  462.229   6.4385  577.788   16.079  572.617   22.886  582.828   22.595  460.183   9.2033  464.275   9.0064 -4.092316 12.87696 
1 1 1   21    9    7 o  619.185   7.9382  1037.00   26.554  1042.76   37.992  1031.50   37.130  620.860   11.324  617.511   11.127 3.348389 15.87632 
1 1 1   21    9    8 o  289.866   5.2306  227.380   8.1797  222.270   11.830  232.061   11.322  286.737   7.6353  292.995   7.1512 -6.257568 10.46122 
1 1 1   21    9   10 f  350.685   10.209  332.658   19.345  332.658   19.345   0.0000   0.0000  350.685   10.209  ?   ?       ?      ? 
1 1 1   21    9   11 o  366.427   6.5535  360.901   12.407  370.721   21.001  355.636   15.378  370.180   10.499  362.674   7.8468 7.505768 13.10700 
1 1 1   21    9   12 o  488.706   7.9449  643.611   20.119  636.994   25.052  655.631   33.765  485.286   9.5535  492.125   12.697 -6.839020 15.88982 
1 1 1   21    9   13 o  488.060   12.596  644.820   33.220   0.0000   0.0000  644.820   33.220  ?   ?   488.060   12.596      ?      ? 
1 1 1   21    9   16 o  130.952   8.3849   46.374   5.9333   46.374   5.9333   0.0000   0.0000  130.952   8.3849  ?   ?       ?      ? 
1 1 1   21    9   17 o  418.304   6.0194  472.996   13.606   0.0000   0.0000  472.996   13.606  ?   ?   418.304   6.0194      ?      ? 
1 1 1   21    9   18 o  443.227   6.2197  531.056   14.896   0.0000   0.0000  531.056   14.896  ?   ?   443.227   6.2197      ?      ? 
1 1 1   21    9   19 o  471.358   6.4731  600.638   16.487   0.0000   0.0000  600.638   16.487  ?   ?   471.358   6.4731      ?      ? 
1 1 1   21    9   20 o  169.152   5.7899   77.347   5.2922   0.0000   0.0000   77.347   5.2922  ?   ?   169.152   5.7899      ?      ? 
1 1 1   21    9   21 o  272.980   5.9951  201.463   8.8434   0.0000   0.0000  201.463   8.8434  ?   ?   272.980   5.9951      ?      ? 
1 1 1   21    9   24 f   95.365   17.270   25.490   8.5720   0.0000   0.0000   25.490   8.5720  ?   ?    95.365   17.270      ?      ? 
1 1 1   21    9   25 o  364.527   8.9280  359.758   17.586   0.0000   0.0000  359.758   17.586  ?   ?   364.527   8.9280      ?      ? 
1 1 1   21    9   27 o  263.979   8.8755  188.708   12.660   0.0000   0.0000  188.708   12.660  ?   ?   263.979   8.8755      ?      ? 
1 1 1   21    9   31 o  374.269   7.6522  379.496   15.476   0.0000   0.0000  379.496   15.476  ?   ?   374.269   7.6522      ?      ? 
1 1 1   21    9   32 o  163.117   6.4587   73.660   3.8126   70.248   10.486   74.180   4.0927  160.628   12.081  165.605   4.5735 -4.977036 12.91743 
1 1 1   21    9   33 o  196.442   6.2128   97.073   5.5157  119.122   12.150   91.349   6.1903  209.229   10.747  183.654   6.2377 25.57472 12.42564 
1 1 1   21    9   34 o   86.998   7.2074   20.303   3.2351   21.527   5.5302   19.666   3.9888   88.886   11.514   85.111   8.6729 3.774391 14.41483 
1 1 1   21    9   35 o  126.882   7.0132   43.645   4.8085   0.0000   0.0000   43.645   4.8085  ?   ?   126.882   7.0132      ?      ? 
1 1 1   21    9   36 o  251.796   4.8170  171.728   6.5409  175.180   9.5992  168.736   8.9368  254.130   6.9902  249.462   6.6296 4.668320 9.634074 
1 1 1   21    9   37 o  168.144   5.0650   76.794   4.5599   76.397   6.9231   77.099   6.0601  167.706   7.6395  168.583   6.6524 -0.8771667 10.13001 
1 1 1   21    9   38 o  284.326   6.8344  219.422   10.500   0.0000   0.0000  219.422   10.500  ?   ?   284.326   6.8344      ?      ? 
1 1 1   21    9   39 f  168.670   6.7708   77.243   6.1711   0.0000   0.0000   77.243   6.1711  ?   ?   168.670   6.7708      ?      ? 
1 1 1   21    9   40 o  231.122   6.7163  145.139   8.3881   0.0000   0.0000  145.139   8.3881  ?   ?   231.122   6.7163      ?      ? 
1 1 1   21    9   41 o  299.552   5.0700  244.095   8.2045  246.623   11.763  241.700   11.450  301.044   7.2308  298.060   7.1088 2.983978 10.14001 
1 1 1   21    9   42 o  111.422   6.6116   33.641   3.9556   36.954   6.0214   31.126   5.2465  116.163   9.5927  106.681   9.1012 9.481728 13.22311 
1 1 1   21    9   43 o  362.373   7.8285  358.449   15.329   0.0000   0.0000  358.449   15.329  ?   ?   362.373   7.8285      ?      ? 
1 1 1   21    9   44 o   63.904   10.759   11.617   3.7045   15.951   5.6103   8.2660   4.9329   74.240   14.505   53.568   15.895 20.67212 21.51824 
1 1 1   21    9   45 o   91.704   7.9056   23.374   3.8944   22.512   5.7636   24.099   5.2829   90.002   11.851   93.407   10.467 -3.405067 15.81120 
1 1 1   21    9   46 f  161.962   5.5560   71.395   4.8428   81.024   7.1465   63.219   6.5855  172.044   7.6871  151.881   8.0241 20.16335 11.11208 
1 1 1   21    9   47 o  109.249   7.0818   33.076   4.1696   30.442   5.9093   35.689   5.8840  104.800   10.435  113.699   9.5770 -8.899055 14.16360 
1 1 1   21    9   48 o  157.526   7.9557   68.163   6.7721   0.0000   0.0000   68.163   6.7721  ?   ?   157.526   7.9557      ?      ? 
1 1 1   21    9   49 o  121.845   6.6526   41.205   4.3666   44.954   6.1859   37.482   6.1647  127.515   8.9775  116.176   9.8200 11.33891 13.30515 
1 1 1   21    9   50 o   43.685   11.685   4.2046   3.8611   6.2351   5.4565   2.1681   5.4645   48.009   16.917   39.361   16.122 8.648373 23.36907 
1 1 1   21    9   51 o   53.831   12.218   8.5910   4.0552   9.7241   5.6397   7.3781   5.8351   56.719   17.033   50.942   17.522 5.776890 24.43652 
1 1 1   21    9   52 o  207.971   5.4422  119.215   6.1120  117.062   8.4646  121.560   8.8347  206.063   7.6018  209.880   7.7899 -3.816406 10.88440 
1 1 1   21    9   53 o  110.458   8.2155   34.818   4.8980   33.610   6.7323   36.176   7.1392  108.497   11.483  112.419   11.752 -3.921600 16.43102 
1 1 1   21    9   54 o   74.679   12.010   17.144   4.7888   12.360   6.4355   23.080   7.1683   62.417   18.054   86.942   15.842 -24.52525 24.01906 
1 1 1   21    9   55 o  153.734   6.9188   66.638   5.7120   68.826   7.7477   64.033   8.4546  156.886   9.1390  150.583   10.390 6.303024 13.83763 
1 1 1   21    9   56 o   93.059   16.535   31.525   8.0678   27.658   10.091   38.378   13.432   87.361   21.517   98.756   25.113 -11.39434 33.07054 
1 1 1   21    9   57 o   91.965   14.932   31.570   8.1132   45.428   10.942   14.649   12.091  120.223   16.844   63.707   24.660 56.51624 29.86324 
1 1 1   21    9   58 o  114.659   11.106   36.082   6.2014   65.450   11.381   23.679   7.3959  144.828   14.542   84.490   16.791 60.33846 22.21277 
1 1 1   21   10    0 o  130.749   6.8892   46.010   4.8403   48.228   7.3059   44.274   6.4620  133.541   10.124  127.957   9.3457 5.583260 13.77850 
1 1 1   21   10    1 o  294.650   5.3473  234.870   8.5070  228.967   12.178  240.497   11.889  291.027   7.7437  298.273   7.3762 -7.245789 10.69453 
1 1 1   21   10    2 o  203.232   5.3624  111.572   5.8658  112.593   8.7081  110.724   7.9364  204.078   7.8966  202.386   7.2570 1.692062 10.72476 
1 1 1   21   10    3 o  334.577   5.5008  302.784   9.9399  294.479   14.145  310.887   13.971  330.038   7.9313  339.116   7.6241 -9.077820 11.00150 
1 1 1   21   10    4 o  591.676   10.839  946.972   34.654   0.0000   0.0000  946.972   34.654  ?   ?   591.676   10.839      ?      ? 
1 1 1   21   10    5 o  219.917   5.3642  130.953   6.3596  127.282   9.2398  134.259   8.7667  216.977   7.8806  222.856   7.2799 -5.878265 10.72846 
1 1 1   21   10    6 o  796.319   9.8851  1716.52   42.531  1693.76   59.587  1740.16   60.725  790.943   13.942  801.695   14.018 -10.75244 19.77026 
1 1 1   21   10    7 o  239.179   5.3434  154.803   6.8927  152.184   10.017  157.159   9.4994  237.250   7.8133  241.108   7.2911 -3.857758 10.68682 
1 1 1   21   10    8 o  821.138   10.173  1823.36   45.090  1768.17   62.060  1885.06   65.623  808.022   14.214  834.255   14.557 -26.23279 20.34522 
1 1 1   21   10    9 o  546.775   7.2656  808.668   21.465  795.683   30.173  821.972   30.543  542.331   10.296  551.220   10.254 -8.889343 14.53116 
1 1 1   21   10   11 o  509.654   8.1865  709.056   21.734  679.279   35.463  726.968   27.505  500.895   13.102  518.414   9.8186 -17.51886 16.37291 
1 1 1   21   10   12 o  288.109   5.4609  224.164   8.4889  228.990   12.404  219.912   11.642  291.018   7.8878  285.199   7.5545 5.818146 10.92186 
1 1 1   21   10   13 o  461.364   12.147  576.126   30.283   0.0000   0.0000  576.126   30.283  ?   ?   461.364   12.147      ?      ? 
1 1 1   21   10   14 o  135.733   6.1369   49.543   4.4883   54.406   6.6371   45.445   6.0927  141.836   8.6597  129.630   8.6980 12.20697 12.27374 
1 1 1   21   10   15 o  136.151   5.9899   50.148   4.4039   49.685   6.3286   50.583   6.1321  135.538   8.6409  136.764   8.2976 -1.225174 11.97973 
1 1 1   21   10   16 o  419.048   6.6982  472.493   13.651  480.856   25.810  469.245   16.085  421.497   11.332  416.599   7.1451 4.898010 13.39642 
1 1 1   21   10   17 o  190.865   5.6190   98.469   5.7953   0.0000   0.0000   98.469   5.7953  ?   ?   190.865   5.6190      ?      ? 
1 1 1   21   10   18 o  130.556   6.4836   46.081   4.5740   0.0000   0.0000   46.081   4.5740  ?   ?   130.556   6.4836      ?      ? 
1 1 1   21   10   19 o  197.392   6.6464  105.351   7.0893   0.0000   0.0000  105.351   7.0893  ?   ?   197.392   6.6464      ?      ? 
1 1 1   21   10   20 o  168.804   6.5013   77.047   5.9303   0.0000   0.0000   77.047   5.9303  ?   ?   168.804   6.5013      ?      ? 
1 1 1   21   10   21 o   25.182   11.693  -3.4224   3.8203   0.0000   0.0000  -3.4224   3.8203  ?   ?    25.182   11.693      ?      ? 
1 1 1   21   10   22 o  216.604   4.8397  126.821   5.6647   0.0000   0.0000  126.821   5.6647  ?   ?   216.604   4.8397      ?      ? 
1 1 1   21   10   23 f  258.652   5.0956  180.866   7.1220   0.0000   0.0000  180.866   7.1220  ?   ?   258.652   5.0956      ?      ? 
1 1 1   21   10   24 o  197.645   4.5993  105.601   4.9120   0.0000   0.0000  105.601   4.9120  ?   ?   197.645   4.5993      ?      ? 
1 1 1   21   10   25 o  357.482   5.4558  345.557   10.539   0.0000   0.0000  345.557   10.539  ?   ?   357.482   5.4558      ?      ? 
1 1 1   21   10   26 o  138.310   4.5928   51.717   3.4326   0.0000   0.0000   51.717   3.4326  ?   ?   138.310   4.5928      ?      ? 
1 1 1   21   10   27 o  298.492   5.0160  240.927   8.0905   0.0000   0.0000  240.927   8.0905  ?   ?   298.492   5.0160      ?      ? 
1 1 1   21   10   28 o  297.366   5.0156  239.144   8.0594   0.0000   0.0000  239.144   8.0594  ?   ?   297.366   5.0156      ?      ? 
1 1 1   21   10   29 o  107.418   4.8136   31.206   2.7941   0.0000   0.0000   31.206   2.7941  ?   ?   107.418   4.8136      ?      ? 
1 1 1   21   10   30 o  175.977   4.4789   83.748   4.2591   0.0000   0.0000   83.748   4.2591  ?   ?   175.977   4.4789      ?      ? 
1 1 1   21   10   31 o   68.200   6.5876   12.595   2.4277   0.0000   0.0000   12.595   2.4277  ?   ?    68.200   6.5876      ?      ? 
1 1 1   21   10   32 o  149.501   6.4798   57.693   3.4982   64.842   10.042   56.705   3.7319  154.232   12.050  144.771   4.7705 9.461609 12.95958 
1 1 1   21   10   33 o  331.294   6.6304  294.147   10.708  307.658   20.289  288.930   12.607  336.107   11.171  326.482   7.1458 9.624939 13.26086 
1 1 1   21   10   34 o  156.117   5.2039   65.775   4.2271   67.270   7.0328   64.930   5.2891  157.424   8.2674  154.811   6.3225 2.612198 10.40787 
1 1 1   21   10   35 o  233.176   6.4183  147.381   8.0871   0.0000   0.0000  147.381   8.0871  ?   ?   233.176   6.4183      ?      ? 
1 1 1   21   10   36 o   44.065   11.062   3.3572   3.1753   8.1595   5.8588   1.3601   3.7782   54.700   17.519   33.430   13.512 21.27005 22.12432 
1 1 1   21   10   37 o  307.864   6.9877  257.294   11.625   0.0000   0.0000  257.294   11.625  ?   ?   307.864   6.9877      ?      ? 
1 1 1   21   10   38 o  334.474   7.2958  303.947   13.186   0.0000   0.0000  303.947   13.186  ?   ?   334.474   7.2958      ?      ? 
1 1 1   21   10   39 o  156.722   6.8490   66.737   5.8002   0.0000   0.0000   66.737   5.8002  ?   ?   156.722   6.8490      ?      ? 
1 1 1   21   10   40 o   95.325   7.2817   24.010   3.6529   28.870   6.0610   21.237   4.5776  102.541   10.938   88.108   9.6147 14.43282 14.56341 
1 1 1   21   10   41 o  152.741   5.5242   63.759   4.4910   62.590   6.9453   64.599   5.8875  151.414   8.4886  154.069   7.0718 -2.654861 11.04838 
1 1 1   21   10   42 o  178.460   6.9436   86.717   6.6960   0.0000   0.0000   86.717   6.6960  ?   ?   178.460   6.9436      ?      ? 
1 1 1   21   10   43 o  336.465   7.5970  309.108   13.812   0.0000   0.0000  309.108   13.812  ?   ?   336.465   7.5970      ?      ? 
1 1 1   21   10   44 o  412.292   8.4497  465.681   18.825   0.0000   0.0000  465.681   18.825  ?   ?   412.292   8.4497      ?      ? 
1 1 1   21   10   45 o   48.948   11.885   6.2063   3.7718   8.1147   5.8677   4.8625   4.9239   53.578   17.562   44.318   16.019 9.259693 23.77043 
1 1 1   21   10   46 o  218.307   7.1106  130.257   8.3881   0.0000   0.0000  130.257   8.3881  ?   ?   218.307   7.1106      ?      ? 
1 1 1   21   10   47 o  120.066   6.8195   40.637   4.3339   34.277   6.4536   45.860   5.8490  111.004   10.759  129.129   8.3824 -18.12457 13.63906 
1 1 1   21   10   48 o   52.997   10.541   7.6200   3.8727  -0.7935   5.7313   14.689   5.2535   35.336   15.535   70.657   14.251 -35.32121 21.08200 
1 1 1   21   10   49 o   39.602   11.029   0.6319   3.8837   7.0965   5.8155  -4.5721   5.2178   50.473   17.485   28.731   13.448 21.74142 22.05816 
1 1 1   21   10   50 o   59.454   12.087   10.644   4.0883   11.769   6.0042   9.6718   5.5824   62.167   17.260   56.740   16.926 5.427521 24.17427 
1 1 1   21   10   51 o  101.632   8.1857   29.323   4.4721   26.232   6.3596   32.347   6.2900   96.039   12.255  107.226   10.856 -11.18666 16.37147 
1 1 1   21   10   52 o   96.252   9.1645   26.656   4.7604   28.309   6.7662   25.036   6.6987   99.368   12.601   93.135   13.310 6.232193 18.32904 
1 1 1   21   10   53 o   47.871   12.573   5.6541   4.5656   9.5621   6.4800   1.8016   6.4337   55.472   18.469   40.270   17.066 15.20254 25.14631 
1 1 1   21   10   54 o  105.322   9.3009   31.802   5.2609   27.418   7.1134   37.095   7.8162   97.168   13.548  113.476   12.747 -16.30782 18.60174 
1 1 1   21   10   55 o   47.283   13.023   4.6683   4.9630   0.6197   6.5517   10.120   7.6025   38.353   16.742   56.213   19.952 -17.85986 26.04531 
1 1 1   21   10   56 o  121.574   14.156   50.416   8.7951   52.793   11.472   47.027   13.698  129.384   16.408  113.765   23.072 15.61917 28.31178 
1 1 1   21   10   57 o  160.883   10.715   79.306   9.2149   72.815   12.020   88.559   14.351  153.973   14.447  167.794   15.828 -13.82112 21.42981 
1 1 1   21   11    1 o  202.623   5.8780  111.097   6.4193  109.755   9.3912  112.273   8.7947  201.467   8.6264  203.778   7.9869 -2.310730 11.75605 
1 1 1   21   11    2 o  413.403   6.1452  462.259   13.723  456.659   19.590  467.653   19.229  410.939   8.8222  415.867   8.5569 -4.927856 12.29033 
1 1 1   21   11    3 o  436.415   8.8503  515.047   20.871   0.0000   0.0000  515.047   20.871  ?   ?   436.415   8.8503      ?      ? 
1 1 1   21   11    4 o  597.636   7.8487  966.412   25.343  965.937   36.158  966.871   35.530  597.484   11.199  597.788   10.999 -0.3041382 15.69737 
1 1 1   21   11    5 o  929.965   11.409  2343.02   57.317  2304.35   79.979  2383.84   82.184  922.094   16.051  937.835   16.217 -15.74042 22.81755 
1 1 1   21   11    6 o  143.758   6.8382   55.647   5.2977   61.614   7.7706   50.465   7.2414  150.929   9.5279  136.588   9.8113 14.34151 13.67630 
1 1 1   21   11    7 o  366.487   5.8961  362.705   11.665  340.524   16.197  386.602   16.812  354.859   8.4470  378.115   8.2283 -23.25543 11.79225 
1 1 1   21   11    8 o  451.869   9.1904  552.236   22.441   0.0000   0.0000  552.236   22.441  ?   ?   451.869   9.1904      ?      ? 
1 1 1   21   11   11 o  162.902   9.1540   71.773   8.0579   71.773   8.0579   0.0000   0.0000  162.902   9.1540  ?   ?       ?      ? 
1 1 1   21   11   12 o  355.888   6.7393  330.452   12.235  379.054   21.772  308.017   14.792  374.278   10.765  337.499   8.1108 36.77859 13.47859 
1 1 1   21   11   13 o  412.644   8.8958  460.550   19.836   0.0000   0.0000  460.550   19.836  ?   ?   412.644   8.8958      ?      ? 
1 1 1   21   11   14 o  264.550   6.1286  190.219   8.7156  202.103   11.987  176.892   12.694  273.376   8.1148  255.725   9.1865 17.65114 12.25728 
1 1 1   21   11   15 o  246.467   5.5291  164.255   7.3629  164.767   10.500  163.760   10.327  246.844   7.8720  246.091   7.7662 0.7524567 11.05813 
1 1 1   21   11   16 o  336.298   6.3124  307.047   11.361  255.180   15.893  361.243   16.246  307.120   9.5768  365.476   8.2263 -58.35638 12.62486 
1 1 1   21   11   17 o  378.959   7.9680  388.411   16.316   0.0000   0.0000  388.411   16.316  ?   ?   378.959   7.9680      ?      ? 
1 1 1   21   11   19 o  258.223   8.2978  180.380   11.578   0.0000   0.0000  180.380   11.578  ?   ?   258.223   8.2978      ?      ? 
1 1 1   21   11   20 o  352.245   5.6678  335.437   10.788   0.0000   0.0000  335.437   10.788  ?   ?   352.245   5.6678      ?      ? 
1 1 1   21   11   21 o  273.169   5.2251  201.734   7.7129   0.0000   0.0000  201.734   7.7129  ?   ?   273.169   5.2251      ?      ? 
1 1 1   21   11   22 o  293.166   5.6281  232.396   8.9158   0.0000   0.0000  232.396   8.9158  ?   ?   293.166   5.6281      ?      ? 
1 1 1   21   11   23 o  173.697   5.1888   81.574   4.8702   0.0000   0.0000   81.574   4.8702  ?   ?   173.697   5.1888      ?      ? 
1 1 1   21   11   24 o  334.290   5.4579  302.181   9.8590   0.0000   0.0000  302.181   9.8590  ?   ?   334.290   5.4579      ?      ? 
1 1 1   21   11   25 o  271.978   6.1936  200.092   9.1026   0.0000   0.0000  200.092   9.1026  ?   ?   271.978   6.1936      ?      ? 
1 1 1   21   11   26 o  328.460   5.3154  291.774   9.4341   0.0000   0.0000  291.774   9.4341  ?   ?   328.460   5.3154      ?      ? 
1 1 1   21   11   27 o  163.977   4.7995   72.714   4.2527   0.0000   0.0000   72.714   4.2527  ?   ?   163.977   4.7995      ?      ? 
1 1 1   21   11   28 o   59.708   7.9950   9.6585   2.5795   0.0000   0.0000   9.6585   2.5795  ?   ?    59.708   7.9950      ?      ? 
1 1 1   21   11   29 o  335.753   5.4267  305.000   9.8456   0.0000   0.0000  305.000   9.8456  ?   ?   335.753   5.4267      ?      ? 
1 1 1   21   11   30 o  323.470   5.3165  283.125   9.2928   0.0000   0.0000  283.125   9.2928  ?   ?   323.470   5.3165      ?      ? 
1 1 1   21   11   31 o  189.190   4.7157   96.839   4.8210   0.0000   0.0000   96.839   4.8210  ?   ?   189.190   4.7157      ?      ? 
1 1 1   21   11   32 o  377.965   6.2021  386.927   12.667   0.0000   0.0000  386.927   12.667  ?   ?   377.965   6.2021      ?      ? 
1 1 1   21   11   33 o  316.969   6.2438  272.050   8.5976  274.324   19.115  271.474   9.6263  317.298   11.149  316.640   5.6261 0.6581421 12.48769 
1 1 1   21   11   34 f  257.437   6.5591  179.667   9.1244   0.0000   0.0000  179.667   9.1244  ?   ?   257.437   6.5591      ?      ? 
1 1 1   21   11   35 o  332.880   7.2574  300.809   13.054   0.0000   0.0000  300.809   13.054  ?   ?   332.880   7.2574      ?      ? 
1 1 1   21   11   36 o   82.399   9.2512   20.666   3.4569   15.389   6.3802   22.859   4.1130   73.122   16.535   91.676   8.3026 -18.55418 18.50237 
1 1 1   21   11   37 o  246.299   6.5045  164.622   8.6570   0.0000   0.0000  164.622   8.6570  ?   ?   246.299   6.5045      ?      ? 
1 1 1   21   11   38 o  476.609   9.1392  619.794   23.537   0.0000   0.0000  619.794   23.537  ?   ?   476.609   9.1392      ?      ? 
1 1 1   21   11   39 o  129.336   6.3184   47.558   4.1534   39.484   6.8297   52.297   5.2322  119.998   10.533  138.673   6.9823 -18.67500 12.63681 
1 1 1   21   11   40 o  421.642   8.4483  485.253   19.249   0.0000   0.0000  485.253   19.249  ?   ?   421.642   8.4483      ?      ? 
1 1 1   21   11   41 o  156.647   6.9895   66.808   5.9164   0.0000   0.0000   66.808   5.9164  ?   ?   156.647   6.9895      ?      ? 
1 1 1   21   11   42 o  181.341   5.3553   90.378   5.1749   85.745   7.8901   93.875   6.8554  177.062   8.2464  185.619   6.8347 -8.557037 10.71061 
1 1 1   21   11   43 o  168.382   7.1105   77.345   6.4697   0.0000   0.0000   77.345   6.4697  ?   ?   168.382   7.1105      ?      ? 
1 1 1   21   11   44 o  179.405   7.1234   87.916   6.9057   0.0000   0.0000   87.916   6.9057  ?   ?   179.405   7.1234      ?      ? 
1 1 1   21   11   45 o   40.803   11.489   2.8822   3.6884   2.5685   6.1978   3.0543   4.5896   42.335   17.235   39.271   15.195 3.063915 22.97711 
1 1 1   21   11   46 o  138.011   6.3707   53.560   4.6507   44.031   6.8591   61.668   6.3271  126.078   10.068  149.944   7.8089 -23.86627 12.74138 
1 1 1   21   11   47 o  135.511   6.3432   50.991   4.6054   48.026   6.8496   53.437   6.2217  131.675   9.6267  139.347   8.2627 -7.671890 12.68644 
1 1 1   21   11   48 o   79.066   10.248   18.878   4.1405   14.877   6.3667   21.810   5.4505   69.982   17.004   88.151   11.442 -18.16929 20.49527 
1 1 1   21   11   49 o  104.641   7.9228   31.141   4.3919   27.805   6.6694   33.696   5.8360   99.178   12.445  110.105   9.8089 -10.92718 15.84565 
1 1 1   21   11   50 o  164.256   6.0250   75.088   5.3176   67.775   7.6418   81.953   7.4044  156.205   9.0534  172.307   7.9524 -16.10159 12.05008 
1 1 1   21   11   51 o  158.594   6.3329   69.609   5.4132   74.368   8.0158   65.619   7.3396  163.497   9.0730  153.691   8.8377 9.805283 12.66586 
1 1 1   21   11   52 o  250.648   7.8847  174.457   10.679   0.0000   0.0000  174.457   10.679  ?   ?   250.648   7.8847      ?      ? 
1 1 1   21   11   53 o  177.786   6.3362   88.214   6.0855   85.488   8.5186   91.055   8.6966  174.951   9.0109  180.622   8.9102 -5.671814 12.67232 
1 1 1   21   11   54 o  135.674   7.7495   52.520   5.6598   56.853   7.9428   48.050   8.0671  141.734   10.371  129.614   11.518 12.11909 15.49894 
1 1 1   21   11   55 o   45.933   13.001   4.9361   5.0219   1.4493   6.7711   9.1987   7.4867   39.096   17.044   52.771   19.638 -13.67521 26.00288 
1 1 1   21   11   56 o  120.965   15.355   54.280   9.2141   70.405   12.188   32.770   14.076  151.961   14.843   89.970   26.886 61.99062 30.71058 
1 1 1   21   11   57 o   50.499   15.469   6.3437   7.9338   9.6599   10.699   2.2928   11.825   53.954   22.375   47.045   21.368 6.908607 30.93897 
1 1 1   21   12    0 o  371.332   9.1361  373.462   18.282  371.171   26.822  375.450   24.986  370.239   13.406  372.426   12.415 -2.186157 18.27224 
1 1 1   21   12    1 o  304.214   5.7866  250.693   9.4940  240.670   13.678  260.012   13.188  298.326   8.4849  310.102   7.8705 -11.77567 11.57318 
1 1 1   21   12    2 o  617.307   11.347  1031.19   37.849   0.0000   0.0000  1031.19   37.849  ?   ?   617.307   11.347      ?      ? 
1 1 1   21   12    4 o  433.573   9.0474  508.401   21.197   0.0000   0.0000  508.401   21.197  ?   ?   433.573   9.0474      ?      ? 
1 1 1   21   12    5 f  401.738   8.7711  436.456   19.041   0.0000   0.0000  436.456   19.041  ?   ?   401.738   8.7711      ?      ? 
1 1 1   21   12    6 o  516.180   7.1516  720.128   19.939  696.924   27.723  744.993   28.698  507.575   10.108  524.786   10.120 -17.21164 14.30320 
1 1 1   21   12    9 o  250.883   5.7991  170.141   7.8555  171.861   11.362  168.565   10.873  252.094   8.3404  249.673   8.0594 2.421753 11.59813 
1 1 1   21   12   10 o   92.096   10.708   23.647   5.1104   28.840   7.2303   18.462   7.2243  103.199   12.965   80.993   17.046 22.20660 21.41667 
1 1 1   21   12   11 o   78.646   11.974   17.295   5.0739   11.794   7.1346   22.925   7.2171   65.312   19.044   91.981   14.520 -26.66953 23.94801 
1 1 1   21   12   12 o  589.083   9.3807  931.957   28.237  963.964   49.002  916.046   34.549  596.370   15.206  581.797   10.990 14.57318 18.76137 
1 1 1   21   12   13 o  619.595   15.689  1040.77   52.528  1040.77   52.528   0.0000   0.0000  619.595   15.689  ?   ?       ?      ? 
1 1 1   21   12   14 o  137.097   7.6041   50.686   5.5830   49.549   7.3793   52.207   8.5379  135.320   10.092  138.874   11.377 -3.554550 15.20811 
1 1 1   21   12   15 o  860.648   21.065  2015.99   97.964   0.0000   0.0000  2015.99   97.964  ?   ?   860.648   21.065      ?      ? 
1 1 1   21   12   16 o   98.331   11.031   26.181   5.8612   0.0000   0.0000   26.181   5.8612  ?   ?    98.331   11.031      ?      ? 
1 1 1   21   12   17 o  134.694   12.748   49.162   9.2783   0.0000   0.0000   49.162   9.2783  ?   ?   134.694   12.748      ?      ? 
1 1 1   21   12   18 o  207.489   6.7117  116.415   7.5252   0.0000   0.0000  116.415   7.5252  ?   ?   207.489   6.7117      ?      ? 
1 1 1   21   12   19 o  212.346   6.2783  121.928   7.2041   0.0000   0.0000  121.928   7.2041  ?   ?   212.346   6.2783      ?      ? 
1 1 1   21   12   20 o   62.825   13.214   11.111   4.3436   0.0000   0.0000   11.111   4.3436  ?   ?    62.825   13.214      ?      ? 
1 1 1   21   12   21 o  255.404   5.3838  176.377   7.4302   0.0000   0.0000  176.377   7.4302  ?   ?   255.404   5.3838      ?      ? 
1 1 1   21   12   22 o  196.399   6.0511  104.321   6.4219   0.0000   0.0000  104.321   6.4219  ?   ?   196.399   6.0511      ?      ? 
1 1 1   21   12   23 o  401.782   6.0101  436.610   13.049   0.0000   0.0000  436.610   13.049  ?   ?   401.782   6.0101      ?      ? 
1 1 1   21   12   24 o  511.247   7.7783  707.548   21.488   0.0000   0.0000  707.548   21.488  ?   ?   511.247   7.7783      ?      ? 
1 1 1   21   12   25 o  209.529   5.1231  118.730   5.8005   0.0000   0.0000  118.730   5.8005  ?   ?   209.529   5.1231      ?      ? 
1 1 1   21   12   26 o  155.419   5.2667   65.337   4.4232   0.0000   0.0000   65.337   4.4232  ?   ?   155.419   5.2667      ?      ? 
1 1 1   21   12   27 o  105.711   8.3389   30.285   4.7634   0.0000   0.0000   30.285   4.7634  ?   ?   105.711   8.3389      ?      ? 
1 1 1   21   12   28 o  205.622   4.8713  114.365   5.4126   0.0000   0.0000  114.365   5.4126  ?   ?   205.622   4.8713      ?      ? 
1 1 1   21   12   29 o  206.396   4.8661  115.247   5.4271   0.0000   0.0000  115.247   5.4271  ?   ?   206.396   4.8661      ?      ? 
1 1 1   21   12   30 o  123.495   5.3916   41.281   3.5979   0.0000   0.0000   41.281   3.5979  ?   ?   123.495   5.3916      ?      ? 
1 1 1   21   12   31 o  341.416   5.8832  315.638   10.854   0.0000   0.0000  315.638   10.854  ?   ?   341.416   5.8832      ?      ? 
1 1 1   21   12   32 o  243.936   5.1603  161.069   6.8021   0.0000   0.0000  161.069   6.8021  ?   ?   243.936   5.1603      ?      ? 
1 1 1   21   12   33 o   57.385   11.889   8.3407   2.6902   8.9617   8.9049   8.2783   2.8221   60.471   21.579   54.298   9.9861 6.172474 23.77782 
1 1 1   21   12   34 o   80.767   11.558   22.195   3.8435   12.234   8.8622   24.503   4.2656   66.600   21.569   94.934   8.3151 -28.33353 23.11624 
1 1 1   21   12   35 o  286.651   6.9007  223.030   10.689   0.0000   0.0000  223.030   10.689  ?   ?   286.651   6.9007      ?      ? 
1 1 1   21   12   36 o  234.176   6.5277  148.820   8.2603   0.0000   0.0000  148.820   8.2603  ?   ?   234.176   6.5277      ?      ? 
1 1 1   21   12   37 o   61.075   9.9274   13.265   3.4491   0.9499   6.7417   17.632   4.0142   41.770   17.573   80.379   9.2420 -38.60830 19.85485 
1 1 1   21   12   38 o  141.367   5.8726   53.662   4.2719   57.200   7.3515   51.858   5.2491  144.649   9.4053  138.085   7.0348 6.563385 11.74513 
1 1 1   21   12   39 o  178.618   6.5912   86.735   6.3617   0.0000   0.0000   86.735   6.3617  ?   ?   178.618   6.5912      ?      ? 
1 1 1   21   12   40 o  112.010   8.0339   34.239   4.8626   0.0000   0.0000   34.239   4.8626  ?   ?   112.010   8.0339      ?      ? 
1 1 1   21   12   41 o  228.309   6.6225  141.936   8.1702   0.0000   0.0000  141.936   8.1702  ?   ?   228.309   6.6225      ?      ? 
1 1 1   21   12   42 o  151.773   7.1931   62.848   5.8993   0.0000   0.0000   62.848   5.8993  ?   ?   151.773   7.1931      ?      ? 
1 1 1   21   12   43 o  174.854   6.9274   83.451   6.5453   0.0000   0.0000   83.451   6.5453  ?   ?   174.854   6.9274      ?      ? 
1 1 1   21   12   44 o   49.299   11.943   6.0150   3.6450   8.7543   6.4414   4.7247   4.4209   55.565   18.409   43.033   15.221 12.53188 23.88683 
1 1 1   21   12   45 o   48.629   10.868   6.5381   3.7951  -1.7469   6.4546   10.916   4.6918   36.382   16.215   60.876   14.475 -24.49400 21.73563 
1 1 1   21   12   46 o  118.609   7.0008   38.741   4.3561   40.125   7.1131   37.910   5.5102  119.946   10.975  117.273   8.6952 2.673546 14.00167 
1 1 1   21   12   47 o  133.006   6.8107   50.713   4.7241   39.382   7.0863   59.778   6.3381  118.627   11.055  147.385   7.9582 -28.75749 13.62132 
1 1 1   21   12   48 o  193.774   7.3780  103.090   7.7254   0.0000   0.0000  103.090   7.7254  ?   ?   193.774   7.3780      ?      ? 
1 1 1   21   12   49 o  223.888   7.3371  137.851   8.8766   0.0000   0.0000  137.851   8.8766  ?   ?   223.888   7.3371      ?      ? 
1 1 1   21   12   50 o   33.672   10.731  -2.4985   4.2434  -6.6107   6.5995   0.3998   5.5405   31.092   14.728   36.251   15.611 -5.158546 21.46175 
1 1 1   21   12   51 o   79.633   11.515   20.466   4.8097   13.328   7.2678   26.029   6.4156   64.251   19.345   95.016   12.495 -30.76517 23.03007 
1 1 1   21   12   52 o   37.807   11.724  -0.3013   4.5593   1.6146   6.9590  -1.7422   6.0349   41.298   17.633   34.315   15.455 6.983482 23.44765 
1 1 1   21   12   53 o   52.630   11.844   4.7783   5.0473   17.137   7.2037  -7.1394   7.0739   73.449   18.235   31.811   15.120 41.63789 23.68788 
1 1 1   21   12   54 o   39.618   12.070   0.0377   4.9963   6.0847   7.2150  -5.5341   6.9257   47.316   18.827   31.920   15.110 15.39574 24.14064 
1 1 1   21   12   55 o   94.290   16.999   34.813   8.7700   38.671   10.874   27.635   14.833  107.761   19.388   80.818   27.928 26.94266 33.99795 
1 1 1   21   13    0 o  398.355   9.6328  427.009   20.640  373.874   28.084  489.414   30.435  371.553   13.988  425.157   13.248 -53.60403 19.26552 
1 1 1   21   13    1 o  185.693   12.346   95.294   12.068   84.414   18.696  103.063   15.800  176.345   19.620  195.042   14.991 -18.69737 24.69193 
1 1 1   21   13    2 o  392.221   14.116  416.667   29.919  416.667   29.919   0.0000   0.0000  392.221   14.116  ?   ?       ?      ? 
1 1 1   21   13   13 o  612.924   9.7818  1000.23   30.233  1068.69   54.242  969.382   36.414  627.523   15.996  598.326   11.263 29.19653 19.56352 
1 1 1   21   13   14 o  215.469   6.8390  120.060   7.7801  155.811   12.728   98.733   9.8305  239.933   9.8170  191.005   9.5245 48.92805 13.67807 
1 1 1   21   13   15 o  230.429   6.9759  143.297   8.6550  161.374   12.584  127.072   11.922  244.192   9.5371  216.665   10.183 27.52637 13.95180 
1 1 1   21   13   16 o  416.991   8.6510  470.461   19.493   0.0000   0.0000  470.461   19.493  ?   ?   416.991   8.6510      ?      ? 
1 1 1   21   13   17 o  207.303   6.9340  116.227   7.7674   0.0000   0.0000  116.227   7.7674  ?   ?   207.303   6.9340      ?      ? 
1 1 1   21   13   18 f  585.743   10.755  929.584   34.040   0.0000   0.0000  929.584   34.040  ?   ?   585.743   10.755      ?      ? 
1 1 1   21   13   19 o  415.844   6.2819  467.698   14.116   0.0000   0.0000  467.698   14.116  ?   ?   415.844   6.2819      ?      ? 
1 1 1   21   13   20 o  434.340   6.4244  510.272   15.078   0.0000   0.0000  510.272   15.078  ?   ?   434.340   6.4244      ?      ? 
1 1 1   21   13   21 o  319.849   8.5217  276.978   14.729   0.0000   0.0000  276.978   14.729  ?   ?   319.849   8.5217      ?      ? 
1 1 1   21   13   22 o  298.067   8.4669  240.573   13.637   0.0000   0.0000  240.573   13.637  ?   ?   298.067   8.4669      ?      ? 
1 1 1   21   13   23 o  688.361   12.289  1286.95   45.711   0.0000   0.0000  1286.95   45.711  ?   ?   688.361   12.289      ?      ? 
1 1 1   21   13   24 o   50.218   14.206   7.0450   4.0275   0.0000   0.0000   7.0450   4.0275  ?   ?    50.218   14.206      ?      ? 
1 1 1   21   13   25 o  405.671   6.0850  445.337   13.339   0.0000   0.0000  445.337   13.339  ?   ?   405.671   6.0850      ?      ? 
1 1 1   21   13   26 o  302.326   5.7522  247.326   9.3971   0.0000   0.0000  247.326   9.3971  ?   ?   302.326   5.7522      ?      ? 
1 1 1   21   13   27 o  103.309   6.9897   28.908   3.9020   0.0000   0.0000   28.908   3.9020  ?   ?   103.309   6.9897      ?      ? 
1 1 1   21   13   28 o  215.411   5.2324  125.571   6.0905   0.0000   0.0000  125.571   6.0905  ?   ?   215.411   5.2324      ?      ? 
1 1 1   21   13   29 o   40.687   12.798   4.4663   3.1378   0.0000   0.0000   4.4663   3.1378  ?   ?    40.687   12.798      ?      ? 
1 1 1   21   13   30 o  115.612   5.9170   36.195   3.6965   0.0000   0.0000   36.195   3.6965  ?   ?   115.612   5.9170      ?      ? 
1 1 1   21   13   31 o   98.515   6.3973   26.299   3.4056   0.0000   0.0000   26.299   3.4056  ?   ?    98.515   6.3973      ?      ? 
1 1 1   21   13   32 o  225.554   4.9694  137.735   6.0568   0.0000   0.0000  137.735   6.0568  ?   ?   225.554   4.9694      ?      ? 
1 1 1   21   13   33 o  101.595   8.5826   28.689   3.1883   27.680   8.6627   28.848   3.4290  100.040   16.025  103.150   6.1519 -3.110054 17.16510 
1 1 1   21   13   34 o   54.853   12.225   6.8287   2.8136   9.9910   8.8001   6.4686   2.9694   62.028   21.507   47.679   11.629 14.34841 24.45015 
1 1 1   21   13   35 o  177.077   6.6205   76.639   5.3493  102.725   11.816   69.915   5.9992  193.695   11.290  160.460   6.9190 33.23544 13.24106 
1 1 1   21   13   36 o   58.811   11.820   8.8539   3.5522   12.639   7.0586   7.5701   4.1107   66.104   18.843   51.519   14.274 14.58508 23.63940 
1 1 1   21   13   37 o  178.642   6.7114   86.746   6.4786   0.0000   0.0000   86.746   6.4786  ?   ?   178.642   6.7114      ?      ? 
1 1 1   21   13   38 o   67.046   10.890   12.428   3.5335   14.338   6.8036   11.723   4.1349   69.947   17.920   64.144   12.378 5.803474 21.77926 
1 1 1   21   13   39 o  168.373   5.7040   77.373   4.9831   77.383   8.2940   77.367   6.2336  168.144   9.1284  168.603   6.8421 -0.4586945 11.40794 
1 1 1   21   13   40 o  187.382   6.7563   95.641   6.8411   0.0000   0.0000   95.641   6.8411  ?   ?   187.382   6.7563      ?      ? 
1 1 1   21   13   41 o  195.906   5.4404  105.794   5.6098  100.475   8.8855  109.319   7.2338  191.508   8.5864  200.304   6.6832 -8.795853 10.88079 
1 1 1   21   13   42 o   75.377   10.406   15.058   3.8652   21.442   7.0249   12.286   4.6289   85.699   15.750   65.054   13.605 20.64468 20.81270 
1 1 1   21   13   43 o  151.439   6.3840   64.926   4.9553   56.693   8.1333   69.787   6.2490  143.096   10.518  159.782   7.2376 -16.68607 12.76797 
1 1 1   21   13   44 o   30.415   9.6982  -3.0235   3.6047 -11.6331   6.5121   0.7800   4.3283   27.228   13.314   33.602   14.105 -6.373312 19.39636 
1 1 1   21   13   45 o   49.467   12.137   5.9992   3.7963   9.2733   6.6334   4.4045   4.6295   56.533   18.680   42.400   15.501 14.13248 24.27352 
1 1 1   21   13   46 o   46.216   11.992   3.6913   3.9291   9.8546   6.8156   0.6234   4.8086   57.740   18.927   34.692   14.731 23.04769 23.98429 
1 1 1   21   13   47 o   75.029   10.881   16.053   4.1697   20.394   6.8588   13.508   5.2515   82.681   15.929   67.377   14.826 15.30475 21.76150 
1 1 1   21   13   48 o   58.554   12.477   10.015   4.1476   12.231   6.9203   8.7725   5.1813   62.953   18.860   54.156   16.340 8.797462 24.95405 
1 1 1   21   13   49 o  119.852   7.6319   40.937   4.8000   37.828   7.5774   43.020   6.2033  115.368   12.155  124.336   9.2329 -8.967598 15.26382 
1 1 1   21   13   50 o   58.520   12.390   11.020   4.5273   5.5828   7.2084   14.563   5.8179   48.315   18.946   68.725   15.970 -20.41008 24.77904 
1 1 1   21   13   51 o  106.891   9.7219   36.090   4.9598   22.335   7.4973   46.795   6.6140   84.680   16.976  129.102   9.4808 -44.42144 19.44372 
1 1 1   21   13   52 o   92.937   13.441   25.051   6.7501   0.0000   0.0000   25.051   6.7501  ?   ?    92.937   13.441      ?      ? 
1 1 1   21   13   53 o  157.134   8.9759   74.075   7.3925   65.180   11.441   80.450   9.6861  147.010   14.402  167.258   10.717 -20.24823 17.95177 
1 1 1   21   13   54 o  110.610   11.816   37.806   6.9100   42.995   11.201   34.617   8.7799  115.345   17.970  105.874   15.347 9.470955 23.63145 
1 1 1   21   14    0 o  419.209   6.5679  475.146   14.873  457.616   20.804  493.470   21.270  411.301   9.3606  427.118   9.2157 -15.81702 13.13581 
1 1 1   21   14    1 o  200.741   9.1460  101.537   9.0095   92.233   10.503  127.455   17.529  184.622   10.528  216.861   14.959 -32.23926 18.29192 
1 1 1   21   14    2 o  346.427   9.9546  325.889   18.574  314.189   27.095  336.261   25.511  340.503   14.726  352.350   13.399 -11.84744 19.90929 
1 1 1   21   14    3 o  426.488   10.074  493.302   23.189  467.793   32.906  518.468   32.683  415.490   14.656  437.487   13.825 -21.99695 20.14802 
1 1 1   21   14    4 o  468.452   8.9599  595.152   20.725  591.892   37.971  596.535   24.735  467.328   15.037  469.577   9.7479 -2.249542 17.91982 
1 1 1   21   14    5 o  397.208   9.0404  426.759   19.404   0.0000   0.0000  426.759   19.404  ?   ?   397.208   9.0404      ?      ? 
1 1 1   21   14    6 o  264.634   6.3263  189.396   9.0406  190.210   13.036  188.642   12.549  265.177   9.0972  264.091   8.7936 1.085052 12.65252 
1 1 1   21   14    7 o  521.740   10.299  736.611   29.035   0.0000   0.0000  736.611   29.035  ?   ?   521.740   10.299      ?      ? 
1 1 1   21   14    8 o  360.884   6.3309  351.675   12.322  362.115   18.100  342.659   16.821  365.856   9.1555  355.912   8.7464 9.943481 12.66184 
1 1 1   21   14    9 o  532.999   7.4868  768.327   21.553  740.451   29.994  798.092   30.993  523.009   10.613  542.989   10.563 -19.98041 14.97363 
1 1 1   21   14   10 o  346.594   6.2554  325.150   11.709  320.120   16.761  329.944   16.364  343.965   9.0180  349.222   8.6716 -5.257111 12.51082 
1 1 1   21   14   11 o  579.932   7.8820  910.486   24.697  890.659   34.618  931.034   35.243  573.502   11.171  586.362   11.123 -12.86053 15.76394 
1 1 1   21   14   12 o  151.461   8.0197   62.159   6.4737   49.248   8.9255   76.491   9.4037  134.827   12.251  168.095   10.353 -33.26828 16.03942 
1 1 1   21   14   14 o  151.682   12.035   62.342   9.8647   62.342   9.8647   0.0000   0.0000  151.682   12.035  ?   ?       ?      ? 
1 1 1   21   14   15 o  712.460   17.807  1381.31   68.555  1381.31   68.555   0.0000   0.0000  712.460   17.807  ?   ?       ?      ? 
1 1 1   21   14   17 o  249.161   7.8212  168.003   10.530   0.0000   0.0000  168.003   10.530  ?   ?   249.161   7.8212      ?      ? 
1 1 1   21   14   18 o  464.328   9.2242  583.867   23.144   0.0000   0.0000  583.867   23.144  ?   ?   464.328   9.2242      ?      ? 
1 1 1   21   14   19 o  347.518   6.9870  326.753   13.121   0.0000   0.0000  326.753   13.121  ?   ?   347.518   6.9870      ?      ? 
1 1 1   21   14   20 o  493.370   10.201  659.771   27.197   0.0000   0.0000  659.771   27.197  ?   ?   493.370   10.201      ?      ? 
1 1 1   21   14   21 o  409.426   6.9110  453.649   15.290   0.0000   0.0000  453.649   15.290  ?   ?   409.426   6.9110      ?      ? 
1 1 1   21   14   22 o  516.250   7.9707  721.827   22.235   0.0000   0.0000  721.827   22.235  ?   ?   516.250   7.9707      ?      ? 
1 1 1   21   14   23 o  234.161   8.9446  148.639   11.318   0.0000   0.0000  148.639   11.318  ?   ?   234.161   8.9446      ?      ? 
1 1 1   21   14   24 o  337.487   7.6959  308.550   14.035   0.0000   0.0000  308.550   14.035  ?   ?   337.487   7.6959      ?      ? 
1 1 1   21   14   25 o  500.744   9.5594  680.495   25.866   0.0000   0.0000  680.495   25.866  ?   ?   500.744   9.5594      ?      ? 
1 1 1   21   14   26 o   54.191   14.201   8.3143   4.2088   0.0000   0.0000   8.3143   4.2088  ?   ?    54.191   14.201      ?      ? 
1 1 1   21   14   27 o  546.133   8.2524  809.274   24.354   0.0000   0.0000  809.274   24.354  ?   ?   546.133   8.2524      ?      ? 
1 1 1   21   14   28 o  181.518   5.5512   89.198   5.4449   0.0000   0.0000   89.198   5.4449  ?   ?   181.518   5.5512      ?      ? 
1 1 1   21   14   29 o  120.415   6.6776   39.293   4.3450   0.0000   0.0000   39.293   4.3450  ?   ?   120.415   6.6776      ?      ? 
1 1 1   21   14   30 o  200.811   5.4751  109.200   5.9411   0.0000   0.0000  109.200   5.9411  ?   ?   200.811   5.4751      ?      ? 
1 1 1   21   14   31 f   43.398   13.257   5.1844   3.3952   0.0000   0.0000   5.1844   3.3952  ?   ?    43.398   13.257      ?      ? 
1 1 1   21   14   32 o  170.728   5.2331   78.956   4.8278   0.0000   0.0000   78.956   4.8278  ?   ?   170.728   5.2331      ?      ? 
1 1 1   21   14   33 o  306.245   5.7196  254.219   9.4650   0.0000   0.0000  254.219   9.4650  ?   ?   306.245   5.7196      ?      ? 
1 1 1   21   14   34 o   98.973   10.950   32.956   3.5627   20.986   9.5411   34.895   3.8405   84.540   20.984  113.406   6.2671 -28.86561 21.89971 
1 1 1   21   14   35 o  120.704   8.9331   43.300   4.6114   34.887   9.8088   45.687   5.2248  111.818   16.234  129.590   7.4612 -17.77203 17.86617 
1 1 1   21   14   36 o  242.732   6.7260  160.170   8.8221   0.0000   0.0000  160.170   8.8221  ?   ?   242.732   6.7260      ?      ? 
1 1 1   21   14   37 o  175.456   6.7429   83.723   6.3930   0.0000   0.0000   83.723   6.3930  ?   ?   175.456   6.7429      ?      ? 
1 1 1   21   14   38 o  210.689   6.7559  120.804   7.6915   0.0000   0.0000  120.804   7.6915  ?   ?   210.689   6.7559      ?      ? 
1 1 1   21   14   39 o  220.311   6.7979  132.233   8.0928   0.0000   0.0000  132.233   8.0928  ?   ?   220.311   6.7979      ?      ? 
1 1 1   21   14   40 o   98.848   8.4744   27.045   4.1636   27.316   7.5448   26.927   4.9927   98.684   14.149   99.012   9.3316 -0.3283691 16.94878 
1 1 1   21   14   41 o  119.368   7.6234   42.003   4.4802   32.391   7.6058   47.111   5.5442  107.542   13.088  131.193   7.8205 -23.65192 15.24671 
1 1 1   21   14   42 o  216.754   6.9307  128.303   8.1176   0.0000   0.0000  128.303   8.1176  ?   ?   216.754   6.9307      ?      ? 
1 1 1   21   14   43 o  117.811   7.5929   39.387   4.5250   35.985   7.7237   41.164   5.5837  113.241   12.622  122.380   8.4434 -9.138763 15.18585 
1 1 1   21   14   44 o  113.607   7.9108   37.526   4.5194   31.383   7.5772   40.917   5.6306  105.328   13.313  121.886   8.5489 -16.55840 15.82154 
1 1 1   21   14   45 o   74.867   10.694   14.871   4.1383   23.519   7.1353   10.488   5.0799   90.559   14.581   59.174   15.648 31.38568 21.38831 
1 1 1   21   14   46 o   95.532   8.9728   25.660   4.4303   26.470   7.4715   25.221   5.5020   96.060   14.394   95.004   10.717 1.055672 17.94557 
1 1 1   21   14   47 o   41.407   12.040   2.4693   4.1496   2.9186   7.0975   2.2359   5.1149   44.342   18.292   38.473   15.659 5.869194 24.07953 
1 1 1   21   14   48 o   84.890   10.592   21.193   4.5447   21.609   7.5805   20.960   5.6785   83.935   17.289   85.845   12.241 -1.910461 21.18388 
1 1 1   21   14   49 o   99.511   9.6332   28.360   4.9615   30.079   8.3819   27.433   6.1558  100.861   15.379   98.162   11.605 2.699554 19.26648 
1 1 1   21   14   50 o   91.249   14.052   31.055   6.3164   17.595   12.256   35.923   7.3706   70.816   25.311  111.682   12.213 -40.86621 28.10368 
1 1 1   21   14   51 o  178.514   8.4818   85.620   7.7319  108.694   13.915   75.315   9.2996  193.721   13.293  163.307   10.538 30.41495 16.96357 
1 1 1   21   14   52 o   73.265   14.587   19.231   6.1248   13.941   10.672   21.829   7.4792   63.784   23.502   82.745   17.285 -18.96020 29.17378 
1 1 1   21   14   53 o   85.223   12.255   23.845   5.5421   29.295   7.9137   18.599   7.7640   97.246   15.060   73.201   19.339 24.04517 24.51093 
1 1 1   21   14   54 o   95.249   15.551   33.628   7.0849   34.700   8.0934   30.113   14.656  106.999   13.998   83.499   27.774 23.50031 31.10235 
1 1 1   21   15    0 o  730.965   9.3954  1447.12   37.105  1422.42   51.951  1472.85   53.016  724.601   13.268  737.329   13.306 -12.72815 18.79080 
1 1 1   21   15    1 o  661.941   12.245  1186.64   43.799   0.0000   0.0000  1186.64   43.799  ?   ?   661.941   12.245      ?      ? 
1 1 1   21   15    2 o  430.473   6.6973  501.431   15.577  498.308   22.146  504.488   21.915  429.141   9.5501  431.804   9.3920 -2.663391 13.39461 
1 1 1   21   15    3 o  349.938   6.4515  330.725   12.188  315.071   16.835  347.970   17.670  341.250   9.1295  358.625   9.1180 -17.37473 12.90291 
1 1 1   21   15    4 o  246.544   11.631  167.405   15.264  140.180   22.203  191.802   21.018  227.140   18.090  265.949   14.625 -38.80919 23.26231 
1 1 1   21   15    5 o  144.110   17.417   56.733   13.202   63.311   20.386   51.982   17.326  152.250   24.780  135.970   24.482 16.28008 34.83393 
1 1 1   21   15    6 o  646.780   12.441  1136.33   43.476  1111.04   61.033  1162.39   61.945  639.460   17.663  654.100   17.526 -14.63922 24.88225 
1 1 1   21   15    7 o  294.046   6.2238  233.828   9.8653  235.472   14.487  232.407   13.471  294.995   9.0883  293.096   8.5057 1.899109 12.44767 
1 1 1   21   15    9 o  383.674   8.9623  398.311   18.581   0.0000   0.0000  398.311   18.581  ?   ?   383.674   8.9623      ?      ? 
1 1 1   21   15   10 o  547.096   7.5700  810.512   22.377  807.683   31.863  813.265   31.432  546.144   10.797  548.049   10.614 -1.904480 15.14002 
1 1 1   21   15   11 o  184.133   9.9858   91.794   9.9358   0.0000   0.0000   91.794   9.9358  ?   ?   184.133   9.9858      ?      ? 
1 1 1   21   15   12 o  171.944   6.9619   80.052   6.4615   79.964   8.9312   80.148   9.3597  171.854   9.6176  172.034   10.068 -0.1799774 13.92376 
1 1 1   21   15   13 o  405.887   9.1610  446.045   20.093   0.0000   0.0000  446.045   20.093  ?   ?   405.887   9.1610      ?      ? 
1 1 1   21   15   14 o  160.543   6.7469   70.784   5.6748   65.541   9.0379   74.197   7.2912  155.514   10.755  165.572   8.1494 -10.05780 13.49377 
1 1 1   21   15   15 o  260.355   6.0868  181.901   8.3702  190.946   13.475  176.220   10.680  265.529   9.3917  255.181   7.7456 10.34804 12.17365 
1 1 1   21   15   16 o  143.052   9.8562   55.440   7.6189   0.0000   0.0000   55.440   7.6189  ?   ?   143.052   9.8562      ?      ? 
1 1 1   21   15   17 o  398.122   8.5193  429.157   18.328   0.0000   0.0000  429.157   18.328  ?   ?   398.122   8.5193      ?      ? 
1 1 1   21   15   18 o  105.246   9.9684   30.022   5.6692   0.0000   0.0000   30.022   5.6692  ?   ?   105.246   9.9684      ?      ? 
1 1 1   21   15   19 o  233.556   5.9954  147.567   7.5665   0.0000   0.0000  147.567   7.5665  ?   ?   233.556   5.9954      ?      ? 
1 1 1   21   15   20 o  169.290   6.7806   77.570   6.2028   0.0000   0.0000   77.570   6.2028  ?   ?   169.290   6.7806      ?      ? 
1 1 1   21   15   21 o  132.560   13.455   47.836   9.6377   0.0000   0.0000   47.836   9.6377  ?   ?   132.560   13.455      ?      ? 
1 1 1   21   15   22 o  429.313   8.7028  499.661   20.189   0.0000   0.0000  499.661   20.189  ?   ?   429.313   8.7028      ?      ? 
1 1 1   21   15   23 f  227.791   6.8960  140.517   8.4883   0.0000   0.0000  140.517   8.4883  ?   ?   227.791   6.8960      ?      ? 
1 1 1   21   15   24 o  239.896   5.9515  155.787   7.7151   0.0000   0.0000  155.787   7.7151  ?   ?   239.896   5.9515      ?      ? 
1 1 1   21   15   25 o  328.257   5.7904  291.725   10.271   0.0000   0.0000  291.725   10.271  ?   ?   328.257   5.7904      ?      ? 
1 1 1   21   15   26 o  167.529   6.1221   76.012   5.5422   0.0000   0.0000   76.012   5.5422  ?   ?   167.529   6.1221      ?      ? 
1 1 1   21   15   27 o   89.933   8.8874   21.965   4.3190   0.0000   0.0000   21.965   4.3190  ?   ?    89.933   8.8874      ?      ? 
1 1 1   21   15   28 o  393.451   6.6346  419.583   14.106   0.0000   0.0000  419.583   14.106  ?   ?   393.451   6.6346      ?      ? 
1 1 1   21   15   29 o  315.212   5.6519  269.152   9.6268   0.0000   0.0000  269.152   9.6268  ?   ?   315.212   5.6519      ?      ? 
1 1 1   21   15   30 o  168.605   5.6911   77.034   5.1851   0.0000   0.0000   77.034   5.1851  ?   ?   168.605   5.6911      ?      ? 
1 1 1   21   15   31 o  179.395   7.4004   87.412   7.1738   0.0000   0.0000   87.412   7.1738  ?   ?   179.395   7.4004      ?      ? 
1 1 1   21   15   32 o  152.832   5.7600   63.323   4.7569   0.0000   0.0000   63.323   4.7569  ?   ?   152.832   5.7600      ?      ? 
1 1 1   21   15   33 o   82.445   8.6047   18.519   3.8334   0.0000   0.0000   18.519   3.8334  ?   ?    82.445   8.6047      ?      ? 
1 1 1   21   15   34 o  105.352   8.3713   24.604   3.5493   40.383   9.6385   22.129   3.8175  120.560   14.795   90.144   7.8372 30.41642 16.74269 
1 1 1   21   15   35 o  106.593   8.8694   27.657   3.6655   37.072   10.017   26.201   3.9387  115.085   16.108   98.102   7.4300 16.98348 17.73871 
1 1 1   21   15   36 o   52.061   13.167   4.9370   3.9010   11.459   8.9464   3.4057   4.3348   64.313   21.702   39.810   14.918 24.50331 26.33443 
1 1 1   21   15   37 o   75.117   11.303   19.940   4.2088   7.5447   8.0704   24.570   4.9327   55.593   20.445   94.641   9.6453 -39.04869 22.60568 
1 1 1   21   15   38 o  138.150   7.3806   55.259   4.9326   46.241   8.8775   59.287   5.9327  128.917   12.744  147.384   7.4493 -18.46666 14.76111 
1 1 1   21   15   39 f  261.240   7.0395  186.159   9.9373   0.0000   0.0000  186.159   9.9373  ?   ?   261.240   7.0395      ?      ? 
1 1 1   21   15   40 o  140.714   7.9244   54.226   6.0255   0.0000   0.0000   54.226   6.0255  ?   ?   140.714   7.9244      ?      ? 
1 1 1   21   15   41 o  119.811   9.3270   39.543   6.0384   0.0000   0.0000   39.543   6.0384  ?   ?   119.811   9.3270      ?      ? 
1 1 1   21   15   42 f  111.911   8.3451   33.638   4.8031   39.454   8.4180   30.830   5.8486  118.354   13.162  105.468   10.262 12.88594 16.69023 
1 1 1   21   15   43 o  100.570   9.4048   28.915   4.6730   27.810   8.4211   29.407   5.6172   98.206   15.869  102.934   10.099 -4.728241 18.80968 
1 1 1   21   15   44 o  168.506   7.5755   77.996   6.8979   0.0000   0.0000   77.996   6.8979  ?   ?   168.506   7.5755      ?      ? 
1 1 1   21   15   45 o   98.234   10.083   29.192   4.7268   24.505   8.1959   31.528   5.7860   90.034   17.476  106.434   10.060 -16.40009 20.16522 
1 1 1   21   15   46 o  164.603   9.3244   73.520   6.4959   83.604   15.221   71.274   7.1828  168.537   16.713  160.669   8.2732 7.867447 18.64876 
1 1 1   21   15   47 o  160.869   11.742   87.622   8.0840   54.910   15.409  100.045   9.4958  132.152   21.578  189.586   9.2691 -57.43385 23.48446 
1 1 1   21   15   48 o  101.557   14.114   45.120   7.0087   10.126   14.718   55.383   7.9705   62.987   26.192  140.126   10.526 -77.13941 28.22770 
1 1 1   21   15   49 o   43.405   13.923  -0.2707   6.2028 -10.3086   14.509   1.9743   6.8615   45.319   21.573   41.491   17.606 3.828407 27.84551 
1 1 1   21   15   50 o  180.896   10.554   92.432   10.316   0.0000   0.0000   92.432   10.316  ?   ?   180.896   10.554      ?      ? 
1 1 1   21   15   51 o   33.434   11.161  -8.4688   5.1846  -0.3294   8.2235 -13.8383   6.6792   41.107   18.313   25.760   12.764 15.34720 22.32227 
1 1 1   21   15   52 o   39.536   13.001  -4.7711   7.1533   2.3237   8.3469 -24.3919   13.881   43.170   18.869   35.902   17.890 7.268208 26.00229 
1 1 1   21   15   53 o   53.642   16.067   7.2607   8.2259   10.505   10.425   1.9081   13.391   57.013   22.647   50.271   22.797 6.741287 32.13405 
1 1 1   21   15   54 o   52.355   15.932   7.7849   8.4007   11.435   10.473   1.2000   14.068   56.236   22.578   48.474   22.484 7.761410 31.86400 
1 1 1   21   16    1 o  263.955   6.5666  188.520   9.3656  189.900   13.334  187.177   13.157  264.907   9.3152  263.003   9.2579 1.904022 13.13327 
1 1 1   21   16    2 o  356.267   6.4127  343.200   12.340  329.504   17.214  357.676   17.698  348.957   9.1290  363.576   9.0083 -14.61884 12.82531 
1 1 1   21   16    3 o  513.048   7.3650  711.862   20.408  685.702   28.349  740.001   29.402  503.274   10.424  522.822   10.407 -19.54868 14.72991 
1 1 1   21   16    4 o  235.934   6.6472  150.645   8.4744  151.234   12.019  150.062   11.951  236.393   9.4089  235.476   9.3921 0.9168243 13.29431 
1 1 1   21   16    5 o  267.691   8.9273  193.909   12.913   0.0000   0.0000  193.909   12.913  ?   ?   267.691   8.9273      ?      ? 
1 1 1   21   16    6 o   66.642   18.168   7.6366   7.9958   6.9610   9.0594   10.018   17.008   57.940   21.594   75.343   29.224 -17.40344 36.33659 
1 1 1   21   16    7 o  267.911   11.317  196.813   16.228  171.599   23.471  219.910   22.463  251.194   17.291  284.629   14.605 -33.43558 22.63404 
1 1 1   21   16    8 o   75.043   21.413   6.9955   13.150   9.3378   20.877   5.4550   16.931   80.105   31.977   69.981   28.488 10.12461 42.82666 
1 1 1   21   16    9 o  147.376   18.678   61.582   14.182   56.441   22.140   65.158   18.467  140.398   30.088  154.354   22.141 -13.95624 37.35653 
1 1 1   21   16   10 o  494.546   7.2644  662.759   19.408  654.545   27.661  670.724   27.238  491.508   10.415  497.583   10.130 -6.075317 14.52873 
1 1 1   21   16   11 o  154.690   7.7327   64.783   6.4594   61.727   8.9765   68.064   9.3022  150.908   11.008  158.472   10.863 -7.563248 15.46536 
1 1 1   21   16   12 o  348.867   8.8867  329.540   16.753   0.0000   0.0000  329.540   16.753  ?   ?   348.867   8.8867      ?      ? 
1 1 1   21   16   13 f   94.959   11.627   25.394   5.7339   29.538   7.8963   20.772   8.3399  104.272   14.014   85.646   18.557 18.62687 23.25394 
1 1 1   21   16   14 o  206.401   6.1654  114.148   6.6701  120.248   10.972  110.573   8.4005  210.678   9.6382  202.124   7.6912 8.553253 12.33088 
1 1 1   21   16   15 o  427.148   8.8924  494.179   20.525   0.0000   0.0000  494.179   20.525  ?   ?   427.148   8.8924      ?      ? 
1 1 1   21   16   16 o  435.516   9.0114  513.882   21.207   0.0000   0.0000  513.882   21.207  ?   ?   435.516   9.0114      ?      ? 
1 1 1   21   16   17 o  462.265   9.3284  579.222   23.302   0.0000   0.0000  579.222   23.302  ?   ?   462.265   9.3284      ?      ? 
1 1 1   21   16   18 o  137.102   8.8480   50.946   6.5550   0.0000   0.0000   50.946   6.5550  ?   ?   137.102   8.8480      ?      ? 
1 1 1   21   16   19 o   41.593   16.262   2.8442   5.2987   0.0000   0.0000   2.8442   5.2987  ?   ?    41.593   16.262      ?      ? 
1 1 1   21   16   20 o  407.778   9.6410  451.172   21.244   0.0000   0.0000  451.172   21.244  ?   ?   407.778   9.6410      ?      ? 
1 1 1   21   16   21 o   75.465   13.470   15.981   5.2915   0.0000   0.0000   15.981   5.2915  ?   ?    75.465   13.470      ?      ? 
1 1 1   21   16   22 o  109.872   10.428   32.809   6.1913   0.0000   0.0000   32.809   6.1913  ?   ?   109.872   10.428      ?      ? 
1 1 1   21   16   23 o  243.947   5.8786  161.126   7.7492   0.0000   0.0000  161.126   7.7492  ?   ?   243.947   5.8786      ?      ? 
1 1 1   21   16   24 f  307.228   5.8205  255.577   9.6629   0.0000   0.0000  255.577   9.6629  ?   ?   307.228   5.8205      ?      ? 
1 1 1   21   16   25 o  204.431   5.9715  113.177   6.5966   0.0000   0.0000  113.177   6.5966  ?   ?   204.431   5.9715      ?      ? 
1 1 1   21   16   26 o  148.991   9.3489   60.347   7.5268   0.0000   0.0000   60.347   7.5268  ?   ?   148.991   9.3489      ?      ? 
1 1 1   21   16   27 o   91.844   9.4033   22.951   4.6668   0.0000   0.0000   22.951   4.6668  ?   ?    91.844   9.4033      ?      ? 
1 1 1   21   16   28 o  143.262   6.7473   55.676   5.2234   0.0000   0.0000   55.676   5.2234  ?   ?   143.262   6.7473      ?      ? 
1 1 1   21   16   29 o  119.914   7.5019   39.058   4.8610   0.0000   0.0000   39.058   4.8610  ?   ?   119.914   7.5019      ?      ? 
1 1 1   21   16   30 o  331.277   6.1750  297.641   11.054   0.0000   0.0000  297.641   11.054  ?   ?   331.277   6.1750      ?      ? 
1 1 1   21   16   31 o  219.568   5.6736  130.706   6.7316   0.0000   0.0000  130.706   6.7316  ?   ?   219.568   5.6736      ?      ? 
1 1 1   21   16   32 o  383.140   6.5527  398.695   13.566   0.0000   0.0000  398.695   13.566  ?   ?   383.140   6.5527      ?      ? 
1 1 1   21   16   33 o  307.285   5.9326  256.327   9.8509   0.0000   0.0000  256.327   9.8509  ?   ?   307.285   5.9326      ?      ? 
1 1 1   21   16   34 o   66.154   10.680   12.016   3.8179   0.0000   0.0000   12.016   3.8179  ?   ?    66.154   10.680      ?      ? 
1 1 1   21   16   35 o  186.225   6.5749   91.169   4.9674  100.788   12.314   89.300   5.4287  191.074   11.926  181.376   5.5390 9.697708 13.14977 
1 1 1   21   16   36 o  101.127   9.4486   25.618   3.5718   32.725   10.070   24.595   3.8202  107.297   17.369   94.957   7.4450 12.33964 18.89716 
1 1 1   21   16   37 o  217.295   7.1463  128.784   8.3911   0.0000   0.0000  128.784   8.3911  ?   ?   217.295   7.1463      ?      ? 
1 1 1   21   16   38 o  212.967   7.0353  123.752   8.0962   0.0000   0.0000  123.752   8.0962  ?   ?   212.967   7.0353      ?      ? 
1 1 1   21   16   39 o   40.911   11.969   2.2030   3.9719   0.2137   7.8276   2.8928   4.6094   42.844   18.503   38.979   15.187 3.865215 23.93737 
1 1 1   21   16   40 o  123.668   8.4728   41.997   5.6620   0.0000   0.0000   41.997   5.6620  ?   ?   123.668   8.4728      ?      ? 
1 1 1   21   16   41 o  276.654   7.1803  209.459   10.734   0.0000   0.0000  209.459   10.734  ?   ?   276.654   7.1803      ?      ? 
1 1 1   21   16   42 o  163.314   9.6301   63.637   6.1159   95.023   16.936   58.930   6.5585  180.300   17.383  146.328   8.2944 33.97182 19.26017 
1 1 1   21   16   43 o   65.212   14.420   14.311   5.4978   1.9649   14.002   16.561   5.9779   55.834   24.421   74.590   15.343 -18.75621 28.84094 
1 1 1   21   16   44 o   69.674   12.053   18.785   5.7421 -12.1644   13.298   25.878   6.3662   43.610   20.729   95.739   12.306 -52.12831 24.10649 
1 1 1   21   16   45 o  109.491   12.904   32.620   6.1765   43.604   13.703   29.820   6.9193  116.504   22.581  102.478   12.495 14.02560 25.80797 
1 1 1   21   16   46 o   92.987   14.671   21.973   6.1391   40.743   13.792   17.336   6.8557  110.981   23.718   74.993   17.274 35.98816 29.34126 
1 1 1   21   16   47 o  122.916   8.5099   43.366   5.4967   42.440   8.7859   43.961   7.0460  120.997   13.438  124.835   10.445 -3.838646 17.01983 
1 1 1   21   16   48 o   59.989   14.065   10.832   5.1852   14.803   8.5976   8.5614   6.5005   66.733   21.206   53.245   18.484 13.48799 28.13086 
1 1 1   21   16   50 o   46.056   13.205   0.9060   5.7004   11.296   8.6646  -7.0230   7.5691   59.157   21.267   32.955   15.657 26.20177 26.40918 
1 1 1   21   16   51 o   51.418   23.848   1.4065   15.820   0.0000   0.0000   1.4065   15.820  ?   ?    51.418   23.848      ?      ? 
1 1 1   21   16   52 o   82.384   19.112   25.044   9.2105   19.029   10.986   39.279   16.900   70.648   24.047   94.120   29.712 -23.47127 38.22422 
1 1 1   21   16   53 o   61.624   17.857   15.188   9.0926   13.908   11.017   17.923   16.102   59.750   23.425   63.498   26.959 -3.747589 35.71416 
1 1 1   21   17    0 o  460.926   7.0088  575.286   17.443  577.577   25.189  573.175   24.180  461.787   10.094  460.065   9.7262 1.722717 14.01760 
1 1 1   21   17    1 o  300.344   8.8853  244.194   14.420   0.0000   0.0000  244.194   14.420  ?   ?   300.344   8.8853      ?      ? 
1 1 1   21   17    2 o   93.822   13.423   24.848   6.5712   25.197   9.2922   24.498   9.2939   94.516   18.855   93.129   19.109 1.386566 26.84513 
1 1 1   21   17    3 o  380.050   9.2163  391.090   18.927   0.0000   0.0000  391.090   18.927  ?   ?   380.050   9.2163      ?      ? 
1 1 1   21   17    5 o  174.485   7.9701   82.543   7.5011   82.331   10.933   82.732   10.311  174.255   11.611  174.714   10.921 -0.4591980 15.94011 
1 1 1   21   17    6 o  199.344   7.1630  107.637   7.7112  102.546   10.819  112.895   10.994  194.545   10.291  204.143   9.9662 -9.598526 14.32609 
1 1 1   21   17    7 f  329.235   6.4792  293.473   11.511  294.617   16.738  292.446   15.856  329.825   9.3915  328.645   8.9287 1.179657 12.95848 
1 1 1   21   17    8 o   99.760   12.363   27.668   6.4833   31.076   9.1665   24.257   9.1710  106.877   15.872   92.642   18.958 14.23469 24.72532 
1 1 1   21   17    9 o  181.904   17.133   96.454   15.541   70.068   23.553  116.802   20.683  156.887   28.845  206.921   18.498 -50.03482 34.26694 
1 1 1   21   17   10 o  282.838   11.678  219.443   17.712  193.851   25.516  243.243   24.607  266.639   17.709  299.036   15.228 -32.39761 23.35636 
1 1 1   21   17   11 o  200.918   15.112  112.737   15.948  100.000   24.841  121.667   20.800  190.700   24.106  211.137   18.231 -20.43652 30.22359 
1 1 1   21   17   12 o   74.682   21.956   4.3518   14.641  -2.1626   22.947   8.8243   19.013   72.814   31.562   76.550   30.530 -3.736610 43.91154 
1 1 1   21   17   13 o  492.394   16.446  661.261   43.757  661.261   43.757   0.0000   0.0000  492.394   16.446  ?   ?       ?      ? 
1 1 1   21   17   14 o  134.540   8.6371   52.430   5.8663   34.054   8.8159   67.032   7.8588  111.821   14.590  157.259   9.2482 -45.43801 17.27415 
1 1 1   21   17   15 o  309.761   6.2345  259.651   10.436   0.0000   0.0000  259.651   10.436  ?   ?   309.761   6.2345      ?      ? 
1 1 1   21   17   16 o  272.180   7.2124  200.599   10.608   0.0000   0.0000  200.599   10.608  ?   ?   272.180   7.2124      ?      ? 
1 1 1   21   17   17 o  519.188   8.5639  730.688   24.026   0.0000   0.0000  730.688   24.026  ?   ?   519.188   8.5639      ?      ? 
1 1 1   21   17   19 o  150.195   8.0108   61.150   6.5016   0.0000   0.0000   61.150   6.5016  ?   ?   150.195   8.0108      ?      ? 
1 1 1   21   17   20 f  305.356   7.7626  252.790   12.809   0.0000   0.0000  252.790   12.809  ?   ?   305.356   7.7626      ?      ? 
1 1 1   21   17   21 f  318.463   6.0241  274.638   10.367   0.0000   0.0000  274.638   10.367  ?   ?   318.463   6.0241      ?      ? 
1 1 1   21   17   22 o  226.320   6.3368  138.746   7.7497   0.0000   0.0000  138.746   7.7497  ?   ?   226.320   6.3368      ?      ? 
1 1 1   21   17   23 o  277.282   9.5539  208.971   14.315   0.0000   0.0000  208.971   14.315  ?   ?   277.282   9.5539      ?      ? 
1 1 1   21   17   24 o  103.046   9.4883   28.873   5.2833   0.0000   0.0000   28.873   5.2833  ?   ?   103.046   9.4883      ?      ? 
1 1 1   21   17   25 o  183.951   8.5298   91.951   8.4787   0.0000   0.0000   91.951   8.4787  ?   ?   183.951   8.5298      ?      ? 
1 1 1   21   17   26 o  197.966   6.1466  106.238   6.5753   0.0000   0.0000  106.238   6.5753  ?   ?   197.966   6.1466      ?      ? 
1 1 1   21   17   27 o  204.952   10.146  114.592   11.236   0.0000   0.0000  114.592   11.236  ?   ?   204.952   10.146      ?      ? 
1 1 1   21   17   28 o  111.673   11.354   34.123   6.8517   0.0000   0.0000   34.123   6.8517  ?   ?   111.673   11.354      ?      ? 
1 1 1   21   17   29 o  307.905   7.6092  257.706   12.660   0.0000   0.0000  257.706   12.660  ?   ?   307.905   7.6092      ?      ? 
1 1 1   21   17   30 o  190.948   5.9707   98.922   6.1606   0.0000   0.0000   98.922   6.1606  ?   ?   190.948   5.9707      ?      ? 
1 1 1   21   17   31 o  142.888   6.6852   55.487   5.1618   0.0000   0.0000   55.487   5.1618  ?   ?   142.888   6.6852      ?      ? 
1 1 1   21   17   32 o  129.822   6.9733   45.844   4.8919   0.0000   0.0000   45.844   4.8919  ?   ?   129.822   6.9733      ?      ? 
1 1 1   21   17   33 o  302.344   5.9898  248.286   9.7860   0.0000   0.0000  248.286   9.7860  ?   ?   302.344   5.9898      ?      ? 
1 1 1   21   17   34 o   84.341   12.860   19.735   5.8609   0.0000   0.0000   19.735   5.8609  ?   ?    84.341   12.860      ?      ? 
1 1 1   21   17   35 o  288.966   6.3076  225.024   8.0301  235.586   17.647  222.265   9.0178  291.994   11.184  285.936   5.8364 6.057861 12.61528 
1 1 1   21   17   36 o   61.958   12.039   12.615   3.8001   3.6284   9.9236   14.159   4.1137   52.290   21.605   71.626   10.629 -19.33659 24.07823 
1 1 1   21   17   37 o  134.206   9.9385   59.509   5.6835   34.887   10.855   68.809   6.6711  109.834   18.289  158.577   7.7851 -48.74307 19.87694 
1 1 1   21   17   38 o  187.897   8.2909   96.426   6.7858  101.554   15.110   95.130   7.5947  189.328   14.770  186.465   7.5375 2.862534 16.58189 
1 1 1   21   17   39 o  155.611   9.8064   67.492   6.6865   69.865   14.663   66.869   7.5132  155.348   17.467  155.874   8.9200 -0.5255585 19.61288 
1 1 1   21   17   40 o  188.253   9.7377  111.624   8.2532   77.748   15.475  125.090   9.7566  163.294   17.538  213.212   8.4684 -49.91743 19.47539 
1 1 1   21   17   41 o   92.783   14.293   19.775   5.5073   40.338   14.087   16.065   5.9835  112.081   23.985   73.485   15.553 38.59523 28.58627 
1 1 1   21   17   42 o   75.878   15.757   16.019   5.4958   22.266   13.951   14.872   5.9793   81.466   27.097   70.291   16.090 11.17528 31.51419 
1 1 1   21   17   43 o  179.123   6.7736   89.099   6.5187   88.684   9.7352   89.437   8.7767  178.481   10.094  179.765   9.0353 -1.283829 13.54714 
1 1 1   21   17   44 o  134.979   8.0870   53.832   5.5435   42.303   8.8897   61.167   7.0911  121.434   13.547  148.524   8.8354 -27.08997 16.17400 
1 1 1   21   17   45 o  147.723   7.2050   59.994   5.6268   66.513   9.1150   55.980   7.1523  153.667   10.977  141.779   9.3357 11.88852 14.41007 
1 1 1   21   17   46 o   68.910   13.339   14.426   4.9971   19.382   8.2953   11.603   6.2605   77.175   19.795   60.645   17.884 16.53079 26.67748 
1 1 1   21   17   47 o  192.178   8.3346  102.797   8.6551   0.0000   0.0000  102.797   8.6551  ?   ?   192.178   8.3346      ?      ? 
1 1 1   21   17   48 o  148.212   20.075   69.077   16.078   0.0000   0.0000   69.077   16.078  ?   ?   148.212   20.075      ?      ? 
1 1 1   21   17   49 o  102.809   26.691   40.293   14.958   0.0000   0.0000   40.293   14.958  ?   ?   102.809   26.691      ?      ? 
1 1 1   21   17   50 o   98.078   17.103   38.411   9.2806   45.743   12.355   28.919   14.059  114.482   20.736   81.674   27.204 32.80811 34.20557 
1 1 1   21   17   51 o  120.781   15.927   51.684   9.8679   51.914   12.666   51.329   15.741  126.072   18.592  115.490   25.866 10.58273 31.85439 
1 1 1   21   17   52 o   44.977   14.970  -5.6255   8.6407 -12.9842   10.564   9.2455   15.018   34.530   16.900   55.424   24.715 -20.89387 29.94066 
1 1 1   21   18    0 o  314.869   9.3151  268.518   15.849   0.0000   0.0000  268.518   15.849  ?   ?   314.869   9.3151      ?      ? 
1 1 1   21   18    1 o  456.262   9.8503  563.996   24.286   0.0000   0.0000  563.996   24.286  ?   ?   456.262   9.8503      ?      ? 
1 1 1   21   18    2 o  251.870   9.3215  171.825   12.687   0.0000   0.0000  171.825   12.687  ?   ?   251.870   9.3215      ?      ? 
1 1 1   21   18    3 o  256.817   6.6892  178.619   9.2796  180.144   13.328  177.184   12.928  257.873   9.5648  255.760   9.3541 2.112900 13.37850 
1 1 1   21   18    4 o  527.641   10.538  754.671   30.046   0.0000   0.0000  754.671   30.046  ?   ?   527.641   10.538      ?      ? 
1 1 1   21   18    5 o   81.323   14.525   18.837   6.3932   20.189   8.8637   17.371   9.2300   84.283   19.799   78.363   21.258 5.919884 29.04974 
1 1 1   21   18    7 o  205.730   7.2516  114.763   8.0596  117.681   11.400  111.847   11.396  208.354   10.126  203.106   10.383 5.247284 14.50311 
1 1 1   21   18    8 o  128.800   9.6304   45.238   6.6827   47.909   9.2998   42.386   9.6095  132.781   12.961  124.819   14.247 7.961876 19.26083 
1 1 1   21   18    9 o  209.811   10.010  119.367   11.348   0.0000   0.0000  119.367   11.348  ?   ?   209.811   10.010      ?      ? 
1 1 1   21   18   10 o  173.238   11.126   81.467   10.415   81.467   10.415   0.0000   0.0000  173.238   11.126  ?   ?       ?      ? 
1 1 1   21   18   11 o   63.556   13.818   8.9031   5.8070   1.2185   7.6928   19.083   8.8539   45.329   18.900   81.784   20.163 -36.45428 27.63563 
1 1 1   21   18   12 o  162.147   12.077   65.918   8.4058   62.401   9.2723   82.140   19.914  151.569   11.321  172.726   21.336 -21.15739 24.15381 
1 1 1   21   18   13 o  234.338   10.612  149.097   13.438   0.0000   0.0000  149.097   13.438  ?   ?   234.338   10.612      ?      ? 
1 1 1   21   18   14 o  267.957   10.144  194.905   14.688   0.0000   0.0000  194.905   14.688  ?   ?   267.957   10.144      ?      ? 
1 1 1   21   18   15 o  127.214   16.257   44.280   11.176   0.0000   0.0000   44.280   11.176  ?   ?   127.214   16.257      ?      ? 
1 1 1   21   18   16 o  121.165   16.990   40.255   11.124   0.0000   0.0000   40.255   11.124  ?   ?   121.165   16.990      ?      ? 
1 1 1   21   18   17 o  334.579   7.2997  303.357   13.197   0.0000   0.0000  303.357   13.197  ?   ?   334.579   7.2997      ?      ? 
1 1 1   21   18   20 o  350.594   8.2043  333.535   15.543   0.0000   0.0000  333.535   15.543  ?   ?   350.594   8.2043      ?      ? 
1 1 1   21   18   21 o  311.499   7.9432  263.276   13.370   0.0000   0.0000  263.276   13.370  ?   ?   311.499   7.9432      ?      ? 
1 1 1   21   18   22 o  199.978   6.5624  108.393   7.0914   0.0000   0.0000  108.393   7.0914  ?   ?   199.978   6.5624      ?      ? 
1 1 1   21   18   23 o  162.482   7.2840   71.639   6.3954   0.0000   0.0000   71.639   6.3954  ?   ?   162.482   7.2840      ?      ? 
1 1 1   21   18   24 o  282.291   7.6460  216.432   11.663   0.0000   0.0000  216.432   11.663  ?   ?   282.291   7.6460      ?      ? 
1 1 1   21   18   25 o  137.450   7.7407   51.334   5.7493   0.0000   0.0000   51.334   5.7493  ?   ?   137.450   7.7407      ?      ? 
1 1 1   21   18   26 f  183.973   6.7782   91.863   6.7384   0.0000   0.0000   91.863   6.7384  ?   ?   183.973   6.7782      ?      ? 
1 1 1   21   18   27 o  139.413   7.4734   52.820   5.6300   0.0000   0.0000   52.820   5.6300  ?   ?   139.413   7.4734      ?      ? 
1 1 1   21   18   28 o  144.332   7.2887   56.630   5.6846   0.0000   0.0000   56.630   5.6846  ?   ?   144.332   7.2887      ?      ? 
1 1 1   21   18   29 o  154.943   6.9561   65.271   5.8241   0.0000   0.0000   65.271   5.8241  ?   ?   154.943   6.9561      ?      ? 
1 1 1   21   18   30 o  272.437   7.4903  202.086   11.027   0.0000   0.0000  202.086   11.027  ?   ?   272.437   7.4903      ?      ? 
1 1 1   21   18   31 o  133.564   10.261   48.936   7.4058   0.0000   0.0000   48.936   7.4058  ?   ?   133.564   10.261      ?      ? 
1 1 1   21   18   32 o  145.003   7.0158   57.247   5.4972   0.0000   0.0000   57.247   5.4972  ?   ?   145.003   7.0158      ?      ? 
1 1 1   21   18   33 o  133.875   7.2478   48.871   5.2432   0.0000   0.0000   48.871   5.2432  ?   ?   133.875   7.2478      ?      ? 
1 1 1   21   18   34 o  213.031   6.6025  123.611   7.6004   0.0000   0.0000  123.611   7.6004  ?   ?   213.031   6.6025      ?      ? 
1 1 1   21   18   35 o   75.708   11.476   15.894   4.6950   0.0000   0.0000   15.894   4.6950  ?   ?    75.708   11.476      ?      ? 
1 1 1   21   18   36 o  111.208   8.4048   33.933   5.0507   0.0000   0.0000   33.933   5.0507  ?   ?   111.208   8.4048      ?      ? 
1 1 1   21   18   37 o  147.234   7.0607   59.231   5.6175   0.0000   0.0000   59.231   5.6175  ?   ?   147.234   7.0607      ?      ? 
1 1 1   21   18   38 o  125.968   10.495   44.937   6.3632   45.721   12.133   44.640   7.4735  125.237   17.929  126.698   10.916 -1.460762 20.99041 
1 1 1   21   18   39 o  193.119   7.7094  102.355   8.0451   0.0000   0.0000  102.355   8.0451  ?   ?   193.119   7.7094      ?      ? 
1 1 1   21   18   40 o  105.101   9.9690   33.398   5.0204   27.383   8.5807   36.528   6.1905   95.554   17.253  114.647   9.9925 -19.09322 19.93801 
1 1 1   21   18   41 o  224.283   7.5896  138.251   9.1981   0.0000   0.0000  138.251   9.1981  ?   ?   224.283   7.5896      ?      ? 
1 1 1   21   18   42 o  219.171   6.1989  135.155   7.1670  119.824   11.013  146.419   9.4395  207.559   9.8189  230.783   7.5693 -23.22388 12.39778 
1 1 1   21   18   43 o  114.198   10.835   44.129   5.4497   23.771   9.0501   55.709   6.8260   86.741   19.751  141.655   8.9175 -54.91469 21.67057 
1 1 1   21   18   44 o  177.370   6.8190   89.684   6.3322   78.973   9.8995   97.102   8.2378  167.388   10.945  187.353   8.1370 -19.96455 13.63802 
1 1 1   21   18   45 o  197.032   15.299  115.698   16.288   0.0000   0.0000  115.698   16.288  ?   ?   197.032   15.299      ?      ? 
1 1 1   21   18   46 o  102.468   25.449   37.230   14.028   0.0000   0.0000   37.230   14.028  ?   ?   102.468   25.449      ?      ? 
1 1 1   21   18   47 o   75.692   17.860   20.272   8.7294   23.356   11.630   16.293   13.211   81.763   24.439   69.621   26.051 12.14176 35.72014 
1 1 1   21   18   48 o   49.257   15.631   0.8661   8.6815  -4.2770   11.648   7.2928   13.021   43.235   20.190   55.279   23.868 -12.04412 31.26203 
1 1 1   21   18   49 o   74.906   18.484   21.645   9.1163   15.610   11.604   31.374   14.733   64.361   24.345   85.452   27.820 -21.09081 36.96791 
1 1 1   21   18   50 o   66.353   15.894   15.623   6.3721   18.572   11.897   14.437   7.5456   68.479   24.878   64.227   19.788 4.251892 31.78768 
1 1 1   21   19    0 o  208.849   7.2780  117.900   8.1990  109.441   11.244  127.503   11.981  200.872   10.359  216.826   10.226 -15.95404 14.55596 
1 1 1   21   19    2 o  342.304   6.6061  316.713   12.201  300.426   16.719  335.272   17.847  332.921   9.2936  351.687   9.3910 -18.76624 13.21219 
1 1 1   21   19    5 o  244.525   6.8325  160.762   8.9781  186.516   13.349  139.492   12.132  262.276   9.4192  226.775   9.9001 35.50119 13.66506 
1 1 1   21   19    6 o  147.435   12.555   59.111   10.002   0.0000   0.0000   59.111   10.002  ?   ?   147.435   12.555      ?      ? 
1 1 1   21   19    8 o  143.523   8.7478   56.029   6.7838   56.580   9.5636   55.471   9.6240  144.242   12.270  142.805   12.472 1.436371 17.49556 
1 1 1   21   19    9 o   40.437   12.731  -4.7382   5.9117   1.0398   8.1193 -11.2576   8.6245   46.149   19.343   34.724   16.558 11.42537 25.46197 
1 1 1   21   19   10 o  140.659   8.9633   54.468   6.6731   67.573   9.4935   41.670   9.3819  157.693   11.141  123.625   14.044 34.06782 17.92662 
1 1 1   21   19   12 f  124.574   9.6354   42.295   6.4266   35.016   8.8757   50.317   9.3177  113.238   14.505  135.911   12.687 -22.67261 19.27078 
1 1 1   21   19   13 o  454.330   7.8829  555.472   18.249  579.505   31.900  543.781   22.250  461.068   12.804  447.592   9.1992 13.47614 15.76580 
1 1 1   21   19   14 o  133.941   10.785   48.804   7.8062   0.0000   0.0000   48.804   7.8062  ?   ?   133.941   10.785      ?      ? 
1 1 1   21   19   15 o  179.448   8.4733   87.395   8.2164   0.0000   0.0000   87.395   8.2164  ?   ?   179.448   8.4733      ?      ? 
1 1 1   21   19   16 o  129.657   11.222   45.788   7.8626   0.0000   0.0000   45.788   7.8626  ?   ?   129.657   11.222      ?      ? 
1 1 1   21   19   18 o   67.341   23.258   11.672   10.286   0.0000   0.0000   11.672   10.286  ?   ?    67.341   23.258      ?      ? 
1 1 1   21   19   20 o  244.592   13.236  163.874   17.494   0.0000   0.0000  163.874   17.494  ?   ?   244.592   13.236      ?      ? 
1 1 1   21   19   21 o   72.150   23.614   14.362   10.610   0.0000   0.0000   14.362   10.610  ?   ?    72.150   23.614      ?      ? 
1 1 1   21   19   22 o   64.728   22.875   10.641   9.9836   0.0000   0.0000   10.641   9.9836  ?   ?    64.728   22.875      ?      ? 
1 1 1   21   19   23 o  183.385   8.3465   91.472   8.2710   0.0000   0.0000   91.472   8.2710  ?   ?   183.385   8.3465      ?      ? 
1 1 1   21   19   24 o   35.536   15.450  -0.7538   5.5313   0.0000   0.0000  -0.7538   5.5313  ?   ?    35.536   15.450      ?      ? 
1 1 1   21   19   25 o  233.233   7.9444  147.965   10.012   0.0000   0.0000  147.965   10.012  ?   ?   233.233   7.9444      ?      ? 
1 1 1   21   19   26 o   38.174   15.783   1.2967   5.3004   0.0000   0.0000   1.2967   5.3004  ?   ?    38.174   15.783      ?      ? 
1 1 1   21   19   27 o  117.254   10.274   37.658   6.5095   0.0000   0.0000   37.658   6.5095  ?   ?   117.254   10.274      ?      ? 
1 1 1   21   19   28 o  309.836   7.5732  261.424   12.679   0.0000   0.0000  261.424   12.679  ?   ?   309.836   7.5732      ?      ? 
1 1 1   21   19   29 o   99.529   11.465   27.274   6.1661   0.0000   0.0000   27.274   6.1661  ?   ?    99.529   11.465      ?      ? 
1 1 1   21   19   30 o  184.547   7.5685   92.837   7.5475   0.0000   0.0000   92.837   7.5475  ?   ?   184.547   7.5685      ?      ? 
1 1 1   21   19   31 o   89.577   11.631   22.187   5.6299   0.0000   0.0000   22.187   5.6299  ?   ?    89.577   11.631      ?      ? 
1 1 1   21   19   32 o   51.946   15.993   7.6847   4.9298   0.0000   0.0000   7.6847   4.9298  ?   ?    51.946   15.993      ?      ? 
1 1 1   21   19   33 o   96.055   9.9834   25.413   5.1819   0.0000   0.0000   25.413   5.1819  ?   ?    96.055   9.9834      ?      ? 
1 1 1   21   19   34 o   74.857   11.425   15.566   4.6214   0.0000   0.0000   15.566   4.6214  ?   ?    74.857   11.425      ?      ? 
1 1 1   21   19   35 o   60.024   14.037   10.542   4.4716   0.0000   0.0000   10.542   4.4716  ?   ?    60.024   14.037      ?      ? 
1 1 1   21   19   36 o   94.668   9.0720   24.686   4.6409   0.0000   0.0000   24.686   4.6409  ?   ?    94.668   9.0720      ?      ? 
1 1 1   21   19   37 o  115.914   8.9347   33.072   4.5145   46.441   10.686   30.168   4.9808  127.201   15.547  104.627   8.8098 22.57508 17.86947 
1 1 1   21   19   38 o  104.331   12.056   35.733   4.5992   26.937   11.235   37.503   5.0410   91.870   22.750  116.792   7.9876 -24.92208 24.11159 
1 1 1   21   19   39 o   35.479   11.641  -5.8893   5.5071 -19.6622   10.450  -0.5939   6.4799   33.233   16.373   37.724   16.554 -4.491821 23.28297 
1 1 1   21   19   40 o  300.999   13.070  257.207   21.258   0.0000   0.0000  257.207   21.258  ?   ?   300.999   13.070      ?      ? 
1 1 1   21   19   41 o   80.320   16.301   22.235   7.5920   25.633   9.2318   15.135   13.344   90.671   19.427   69.968   26.182 20.70341 32.60189 
1 1 1   21   19   42 f   39.278   13.292 -12.2780   8.0960  -7.4279   10.584 -19.1171   12.569   40.715   19.088   37.841   18.502 2.873718 26.58305 
1 1 1   21   19   43 o   53.879   16.368   3.0196   8.4765  -1.1601   10.921   9.3536   13.444   46.486   20.877   61.272   25.214 -14.78545 32.73530 
1 1 1   21   19   44 o   82.615   18.072   23.922   8.8022   19.054   11.311   31.396   14.016   73.394   24.399   91.837   26.667 -18.44293 36.14450 
1 1 1   21   19   45 o   64.833   17.656   10.135   8.9453   2.1333   11.341   23.311   14.553   50.171   21.960   79.495   27.652 -29.32437 35.31158 
1 1 1   21   19   46 o   52.239   16.362   2.1347   9.0106   2.5563   11.583   1.4885   14.341   50.821   22.220   53.657   24.023 -2.835510 32.72363 
1 1 1   21   19   47 o   73.663   15.127   19.744   5.9881   19.590   12.059   19.795   6.8988   69.640   25.084   77.687   16.913 -8.047760 30.25326 
1 1 1   21   19   48 o  102.158   13.377   35.105   6.3750   32.207   11.925   36.264   7.5434   93.478   23.604  110.839   12.595 -17.36015 26.75377 
1 1 1   21   19   49 o   62.235   14.146   14.129   5.7161   8.9903   8.8804   17.765   7.4691   53.018   20.953   71.452   19.012 -18.43333 28.29239 
1 1 1   21   20    0 o  215.658   8.5297  126.457   9.9038  126.149   13.438  126.824   14.652  215.429   11.544  215.886   12.560 -0.4571075 17.05940 
1 1 1   21   20    1 o  205.070   8.6251  114.496   9.5229  127.185   13.595  102.275   13.343  216.297   11.632  193.843   12.738 22.45332 17.25022 
1 1 1   21   20    2 o  217.670   8.4686  128.834   9.9472  128.333   13.702  129.392   14.464  217.259   11.671  218.081   12.274 -0.8218842 16.93713 
1 1 1   21   20    3 o  286.687   8.1635  223.329   12.628  221.239   17.364  225.676   18.400  285.307   11.263  288.067   11.820 -2.760193 16.32701 
1 1 1   21   20    4 o  175.815   9.3193   85.492   8.7160   95.766   11.849   73.378   12.866  187.656   11.685  163.974   14.521 23.68179 18.63859 
1 1 1   21   20    5 f  144.720   10.632   57.742   8.1961   68.784   11.588   46.689   11.594  158.847   13.500  130.593   16.429 28.25401 21.26462 
1 1 1   21   20    6 o  334.508   8.0917  303.953   14.616  319.369   21.065  289.640   20.298  342.690   11.375  326.325   11.511 16.36530 16.18334 
1 1 1   21   20    7 o  224.957   11.910  137.748   14.478   0.0000   0.0000  137.748   14.478  ?   ?   224.957   11.910      ?      ? 
1 1 1   21   20    8 o   83.742   14.526   19.945   6.4417   19.039   8.3668   21.264   10.094   81.520   19.294   85.964   21.722 -4.444046 29.05284 
1 1 1   21   20    9 o  245.378   11.354  163.896   15.054   0.0000   0.0000  163.896   15.054  ?   ?   245.378   11.354      ?      ? 
1 1 1   21   20   10 o  242.971   7.4235  160.067   9.6482  157.077   12.717  164.122   14.810  240.413   9.7891  245.529   11.163 -5.116394 14.84694 
1 1 1   21   20   11 o  278.646   11.022  211.396   16.596   0.0000   0.0000  211.396   16.596  ?   ?   278.646   11.022      ?      ? 
1 1 1   21   20   12 o  213.581   6.9263  121.506   7.7736  134.505   12.821  113.949   9.7755  222.310   10.673  204.853   8.8310 17.45677 13.85250 
1 1 1   21   20   13 o  313.135   6.8454  260.932   11.089  285.586   18.970  248.134   13.667  323.898   10.838  302.372   8.3647 21.52634 13.69075 
1 1 1   21   20   14 o   78.470   19.567   17.710   8.2686   0.0000   0.0000   17.710   8.2686  ?   ?    78.470   19.567      ?      ? 
1 1 1   21   20   15 o  194.873   9.6035  103.258   10.113   0.0000   0.0000  103.258   10.113  ?   ?   194.873   9.6035      ?      ? 
1 1 1   21   20   16 o   98.315   15.279   26.569   8.1172   0.0000   0.0000   26.569   8.1172  ?   ?    98.315   15.279      ?      ? 
1 1 1   21   20   19 o   49.785   19.172   4.7788   7.2794   0.0000   0.0000   4.7788   7.2794  ?   ?    49.785   19.172      ?      ? 
1 1 1   21   20   21 o  183.294   9.1135   91.520   9.0265   0.0000   0.0000   91.520   9.0265  ?   ?   183.294   9.1135      ?      ? 
1 1 1   21   20   26 o  114.577   36.659   43.063   25.659   0.0000   0.0000   43.063   25.659  ?   ?   114.577   36.659      ?      ? 
1 1 1   21   20   27 o  141.100   32.993   64.234   24.706   0.0000   0.0000   64.234   24.706  ?   ?   141.100   32.993      ?      ? 
1 1 1   21   20   28 o   59.877   23.503   7.2936   11.102   0.0000   0.0000   7.2936   11.102  ?   ?    59.877   23.503      ?      ? 
1 1 1   21   20   29 o   79.825   24.575   19.348   11.640   0.0000   0.0000   19.348   11.640  ?   ?    79.825   24.575      ?      ? 
1 1 1   21   20   30 o  133.022   18.572   50.867   13.350   0.0000   0.0000   50.867   13.350  ?   ?   133.022   18.572      ?      ? 
1 1 1   21   20   31 o   63.850   24.861   9.3672   12.346   0.0000   0.0000   9.3672   12.346  ?   ?    63.850   24.861      ?      ? 
1 1 1   21   20   33 o  152.286   15.298   65.926   12.589   0.0000   0.0000   65.926   12.589  ?   ?   152.286   15.298      ?      ? 
1 1 1   21   20   34 o   84.538   23.791   22.578   11.327   0.0000   0.0000   22.578   11.327  ?   ?    84.538   23.791      ?      ? 
1 1 1   21   20   35 o   67.209   24.105   13.129   11.125   0.0000   0.0000   13.129   11.125  ?   ?    67.209   24.105      ?      ? 
1 1 1   21   20   36 o  135.427   16.814   53.343   12.304   0.0000   0.0000   53.343   12.304  ?   ?   135.427   16.814      ?      ? 
1 1 1   21   20   37 o  141.427   11.854   54.819   8.7728   42.545   10.943   76.892   14.675  120.639   16.787  162.215   16.742 -41.57648 23.70859 
1 1 1   21   20   38 o  228.562   9.3513  148.740   11.449  150.383   15.291  146.644   17.272  230.797   12.261  226.326   14.123 4.471146 18.70251 
1 1 1   21   20   39 o  202.305   9.8182  118.633   10.521  127.297   13.951  107.207   16.021  212.299   12.161  192.311   15.417 19.98813 19.63646 
1 1 1   21   20   40 o   65.065   17.240   12.686   8.0675   13.162   10.185   11.883   13.217   65.128   23.095   65.002   25.602 0.1259995 34.47989 
1 1 1   21   20   41 o  223.238   9.5052  142.528   11.315  138.378   14.770  148.423   17.603  220.332   12.405  226.145   14.405 -5.812378 19.01038 
1 1 1   21   20   42 o   46.419   13.994   1.9658   5.5969   6.9504   10.624   0.0508   6.5848   54.671   22.446   38.166   16.719 16.50480 27.98830 
1 1 1   21   20   43 o  232.340   7.5066  148.839   8.5092  162.883   16.181  143.471   10.004  237.488   12.609  227.192   8.1489 10.29596 15.01313 
1 1 1   21   20   44 o  135.795   8.6366   51.848   6.1520   57.062   10.162   48.831   7.7296  140.287   13.405  131.303   10.894 8.983688 17.27324 
1 1 1   21   20   45 f   51.052   11.206   4.0626   5.2273 -16.5399   8.4201   16.983   6.6679   29.067   14.390   73.038   17.182 -43.97087 22.41195 
1 1 1   21   20   46 o   54.040   14.023   9.1782   5.3286   13.562   8.4806   6.3185   6.8495   61.081   21.117   47.000   18.456 14.08155 28.04579 
1 1 1   21   20   47 o   38.430   12.268  -3.2318   5.4317   4.1071   8.6233  -8.0587   6.9935   46.628   19.759   30.232   14.546 16.39667 24.53585 
1 1 1   21   20   48 o   58.346   13.912   10.850   5.4312   18.894   8.5673   5.4447   7.0226   71.377   20.884   45.315   18.385 26.06140 27.82359 
1 1 1   21   21    0 o  162.663   8.9892   72.197   7.8998   71.117   11.221   73.259   11.123  161.438   12.863  163.888   12.560 -2.450668 17.97838 
1 1 1   21   21    1 o  104.188   12.912   30.501   7.0832   27.777   10.117   33.119   9.9202   98.591   19.679  109.785   16.722 -11.19444 25.82442 
1 1 1   21   21    2 o  133.676   14.190   48.880   10.250   0.0000   0.0000   48.880   10.250  ?   ?   133.676   14.190      ?      ? 
1 1 1   21   21    3 f  307.723   9.3012  257.232   15.466   0.0000   0.0000  257.232   15.466  ?   ?   307.723   9.3012      ?      ? 
1 1 1   21   21    4 o  143.661   9.8690   56.220   7.6455   60.541   11.244   52.505   10.427  148.769   13.987  138.553   13.926 10.21666 19.73798 
1 1 1   21   21    5 o  197.389   8.0396  104.909   8.5089  115.968   13.061   96.754   11.216  206.271   11.718  188.506   11.011 17.76549 16.07923 
1 1 1   21   21    6 o  279.265   11.057  212.365   16.685  212.365   16.685   0.0000   0.0000  279.265   11.057  ?   ?       ?      ? 
1 1 1   21   21    7 o  256.318   10.780  178.829   14.931  178.829   14.931   0.0000   0.0000  256.318   10.780  ?   ?       ?      ? 
1 1 1   21   21    8 o   48.285   13.237  -4.0464   6.2683   11.797   9.1141 -18.2671   8.6347   66.355   21.894   30.214   14.885 36.14159 26.47485 
1 1 1   21   21    9 o  243.317   7.2289  160.024   9.4607  171.531   14.233  150.916   12.663  251.059   10.491  235.575   9.9477 15.48433 14.45772 
1 1 1   21   21   10 o  303.557   10.687  250.901   17.530  250.901   17.530   0.0000   0.0000  303.557   10.687  ?   ?       ?      ? 
1 1 1   21   21   11 o  227.539   10.508  140.991   12.920  140.991   12.920   0.0000   0.0000  227.539   10.508  ?   ?       ?      ? 
1 1 1   21   21   12 o  123.534   11.492   44.675   6.7282   68.739   9.7197   22.535   9.3231  158.735   11.332   88.333   19.997 70.40207 22.98489 
1 1 1   21   21   13 o   60.555   21.517   9.0566   8.8442   0.0000   0.0000   9.0566   8.8442  ?   ?    60.555   21.517      ?      ? 
1 1 1   21   21   14 o   56.176   20.049   7.6937   7.6872   0.0000   0.0000   7.6937   7.6872  ?   ?    56.176   20.049      ?      ? 
1 1 1   21   21   15 f   90.770   16.693   23.490   7.8861   0.0000   0.0000   23.490   7.8861  ?   ?    90.770   16.693      ?      ? 
1 1 1   21   21   16 o  188.907   10.786   97.471   11.011   0.0000   0.0000   97.471   11.011  ?   ?   188.907   10.786      ?      ? 
1 1 1   21   21   17 o   67.562   17.651   13.166   6.5148   0.0000   0.0000   13.166   6.5148  ?   ?    67.562   17.651      ?      ? 
1 1 1   21   21   18 o   42.252   16.950   2.5190   5.8974   0.0000   0.0000   2.5190   5.8974  ?   ?    42.252   16.950      ?      ? 
1 1 1   21   21   19 o   94.120   12.949   24.353   6.5857   0.0000   0.0000   24.353   6.5857  ?   ?    94.120   12.949      ?      ? 
1 1 1   21   21   20 o  217.863   8.1643  129.192   9.6115   0.0000   0.0000  129.192   9.6115  ?   ?   217.863   8.1643      ?      ? 
1 1 1   21   21   21 o  125.470   11.813   43.257   8.0091   0.0000   0.0000   43.257   8.0091  ?   ?   125.470   11.813      ?      ? 
1 1 1   21   21   22 o  262.049   11.477  188.749   16.252   0.0000   0.0000  188.749   16.252  ?   ?   262.049   11.477      ?      ? 
1 1 1   21   21   23 o  194.812   7.2001  103.270   7.5795   0.0000   0.0000  103.270   7.5795  ?   ?   194.812   7.2001      ?      ? 
1 1 1   21   21   24 o   84.527   13.256   19.790   6.0548   0.0000   0.0000   19.790   6.0548  ?   ?    84.527   13.256      ?      ? 
1 1 1   21   21   25 o  152.357   8.1319   63.341   6.6949   0.0000   0.0000   63.341   6.6949  ?   ?   152.357   8.1319      ?      ? 
1 1 1   21   21   26 o   68.054   16.020   13.527   5.7933   0.0000   0.0000   13.527   5.7933  ?   ?    68.054   16.020      ?      ? 
1 1 1   21   21   27 o   37.637   15.642   1.2503   5.2454   0.0000   0.0000   1.2503   5.2454  ?   ?    37.637   15.642      ?      ? 
1 1 1   21   21   28 o  117.837   9.1256   38.099   5.8107   0.0000   0.0000   38.099   5.8107  ?   ?   117.837   9.1256      ?      ? 
1 1 1   21   21   29 o  177.737   7.3726   86.265   7.0809   0.0000   0.0000   86.265   7.0809  ?   ?   177.737   7.3726      ?      ? 
1 1 1   21   21   30 o  171.472   7.1071   80.306   6.5853   0.0000   0.0000   80.306   6.5853  ?   ?   171.472   7.1071      ?      ? 
1 1 1   21   21   31 o   53.681   16.439   8.3432   5.2169   0.0000   0.0000   8.3432   5.2169  ?   ?    53.681   16.439      ?      ? 
1 1 1   21   21   32 o  170.320   7.0746   79.288   6.5111   0.0000   0.0000   79.288   6.5111  ?   ?   170.320   7.0746      ?      ? 
1 1 1   21   21   33 o  108.280   9.6488   32.420   5.6456   0.0000   0.0000   32.420   5.6456  ?   ?   108.280   9.6488      ?      ? 
1 1 1   21   21   34 o   34.944   14.991   0.2390   5.0732   0.0000   0.0000   0.2390   5.0732  ?   ?    34.944   14.991      ?      ? 
1 1 1   21   21   35 o  289.934   6.4778  229.858   10.149   0.0000   0.0000  229.858   10.149  ?   ?   289.934   6.4778      ?      ? 
1 1 1   21   21   36 o  225.854   6.4764  139.550   7.9040   0.0000   0.0000  139.550   7.9040  ?   ?   225.854   6.4764      ?      ? 
1 1 1   21   21   37 o   81.368   11.650   18.618   5.1222   0.0000   0.0000   18.618   5.1222  ?   ?    81.368   11.650      ?      ? 
1 1 1   21   21   38 o  113.909   12.050   42.496   5.0468   33.176   12.078   44.467   5.5550  100.925   22.697  126.892   8.1015 -25.96606 24.09979 
1 1 1   21   21   39 o  167.331   8.0886   74.495   5.6124   86.734   13.601   71.983   6.1614  172.842   14.562  161.819   7.0464 11.02382 16.17716 
1 1 1   21   21   40 o  100.853   12.578   33.634   4.7607   27.500   11.617   34.873   5.2190   89.738   23.631  111.967   8.6260 -22.22967 25.15602 
1 1 1   21   21   41 o   89.845   14.158   24.827   6.2426   31.014   11.552   22.275   7.4193   95.177   22.767   84.514   16.837 10.66321 28.31658 
1 1 1   21   21   42 o  104.297   12.334   37.112   6.1655   19.451   9.5050   49.941   8.1011   76.111   21.920  132.482   11.316 -56.37103 24.66863 
1 1 1   21   21   43 o  120.033   9.9644   43.707   6.1699   33.890   9.4208   51.080   8.1645  106.116   16.429  133.949   11.280 -27.83209 19.92871 
1 1 1   21   21   44 o   39.529   12.257  -0.7268   5.4879  -9.2700   8.5791   5.1904   7.1399   33.218   16.015   45.839   18.558 -12.62027 24.51328 
1 1 1   21   21   45 o   88.031   12.315   25.280   5.6747   23.333   8.6041   26.779   7.5495   82.622   19.573   93.439   14.952 -10.81634 24.63028 
1 1 1   21   21   46 o   44.308   12.952   1.0053   5.5065   10.741   8.4492  -6.1829   7.2602   56.363   20.884   32.254   15.327 24.10870 25.90482 
1 1 1   21   21   47 o   94.502   11.660   28.535   5.7705   34.345   9.0396   24.539   7.4968  103.052   16.233   85.951   16.743 17.10081 23.32063 
1 1 1   21   22    0 o  236.644   7.1919  152.376   9.1958  150.077   13.010  154.671   13.000  234.847   10.252  238.441   10.089 -3.593887 14.38385 
1 1 1   21   22    1 o  239.696   7.0726  156.264   9.1597  159.002   13.060  153.614   12.850  241.763   9.9971  237.630   10.007 4.133347 14.14513 
1 1 1   21   22    2 o   66.974   15.548   12.018   6.5085   10.561   8.9411   13.659   9.4923   63.685   21.694   70.264   22.277 -6.578571 31.09562 
1 1 1   21   22    3 o  113.309   11.657   35.277   7.1287   37.730   10.351   33.063   9.8323  117.063   16.363  109.555   16.609 7.508881 23.31498 
1 1 1   21   22    4 o  101.752   12.792   29.248   6.8413   32.463   9.5820   25.905   9.7708  108.565   16.333   94.938   19.692 13.62653 25.58399 
1 1 1   21   22    5 o  249.041   9.6686  168.743   13.011   0.0000   0.0000  168.743   13.011  ?   ?   249.041   9.6686      ?      ? 
1 1 1   21   22    6 o   58.392   14.764   7.9342   6.1191   11.643   8.2895   3.4937   9.0707   65.094   20.837   51.689   20.921 13.40489 29.52750 
1 1 1   21   22    7 o  125.063   10.363   44.455   6.6730   58.778   9.3498   29.586   9.5266  146.680   11.796  103.446   17.043 43.23416 20.72701 
1 1 1   21   22    8 o  130.841   9.5878   47.103   6.7465   52.336   9.5429   41.874   9.5390  138.239   12.775  123.443   14.300 14.79589 19.17555 
1 1 1   21   22   10 o   88.087   13.206   22.799   6.2175   29.614   8.5301   15.075   9.0816  103.615   15.235   72.560   21.575 31.05489 26.41200 
1 1 1   21   22   11 o  134.176   8.5112   49.864   6.0326   46.329   9.3931   52.346   7.8702  129.871   13.385  138.481   10.517 -8.610596 17.02250 
1 1 1   21   22   12 o  124.248   8.7852   41.399   5.8137   47.815   9.2233   37.169   7.4886  131.987   12.932  116.509   11.895 15.47744 17.57049 
1 1 1   21   22   13 o  184.308   7.8929   92.336   7.8609   0.0000   0.0000   92.336   7.8609  ?   ?   184.308   7.8929      ?      ? 
1 1 1   21   22   14 o  110.778   11.464   33.592   6.8625   0.0000   0.0000   33.592   6.8625  ?   ?   110.778   11.464      ?      ? 
1 1 1   21   22   15 o  232.320   9.0459  147.058   11.356   0.0000   0.0000  147.058   11.356  ?   ?   232.320   9.0459      ?      ? 
1 1 1   21   22   16 f  355.914   8.4399  344.895   16.232   0.0000   0.0000  344.895   16.232  ?   ?   355.914   8.4399      ?      ? 
1 1 1   21   22   17 o  128.328   10.461   45.058   7.2544   0.0000   0.0000   45.058   7.2544  ?   ?   128.328   10.461      ?      ? 
1 1 1   21   22   18 o  220.018   7.1805  131.637   8.5370   0.0000   0.0000  131.637   8.5370  ?   ?   220.018   7.1805      ?      ? 
1 1 1   21   22   19 f   81.050   26.806   19.119   13.659   0.0000   0.0000   19.119   13.659  ?   ?    81.050   26.806      ?      ? 
1 1 1   21   22   20 o  283.072   6.5872  217.792   10.076   0.0000   0.0000  217.792   10.076  ?   ?   283.072   6.5872      ?      ? 
1 1 1   21   22   21 o  128.859   11.718   45.744   8.1595   0.0000   0.0000   45.744   8.1595  ?   ?   128.859   11.718      ?      ? 
1 1 1   21   22   22 o  125.391   10.230   43.144   6.9314   0.0000   0.0000   43.144   6.9314  ?   ?   125.391   10.230      ?      ? 
1 1 1   21   22   23 o   95.433   12.158   25.187   6.2696   0.0000   0.0000   25.187   6.2696  ?   ?    95.433   12.158      ?      ? 
1 1 1   21   22   24 o  174.236   10.643   83.640   10.020   0.0000   0.0000   83.640   10.020  ?   ?   174.236   10.643      ?      ? 
1 1 1   21   22   25 o   83.016   13.245   19.223   5.9416   0.0000   0.0000   19.223   5.9416  ?   ?    83.016   13.245      ?      ? 
1 1 1   21   22   26 o  197.626   8.1315  106.851   8.6837   0.0000   0.0000  106.851   8.6837  ?   ?   197.626   8.1315      ?      ? 
1 1 1   21   22   27 o  192.611   13.354  103.892   13.899   0.0000   0.0000  103.892   13.899  ?   ?   192.611   13.354      ?      ? 
1 1 1   21   22   28 o   63.143   16.451   11.825   5.6694   0.0000   0.0000   11.825   5.6694  ?   ?    63.143   16.451      ?      ? 
1 1 1   21   22   29 o  178.868   7.5277   87.540   7.2758   0.0000   0.0000   87.540   7.2758  ?   ?   178.868   7.5277      ?      ? 
1 1 1   21   22   30 o   55.816   17.051   9.1118   5.6164   0.0000   0.0000   9.1118   5.6164  ?   ?    55.816   17.051      ?      ? 
1 1 1   21   22   31 o  134.491   8.4966   49.767   6.1749   0.0000   0.0000   49.767   6.1749  ?   ?   134.491   8.4966      ?      ? 
1 1 1   21   22   32 o  300.037   6.7003  246.173   10.863   0.0000   0.0000  246.173   10.863  ?   ?   300.037   6.7003      ?      ? 
1 1 1   21   22   33 f   83.491   12.310   19.655   5.5535   0.0000   0.0000   19.655   5.5535  ?   ?    83.491   12.310      ?      ? 
1 1 1   21   22   34 o  159.130   7.4886   69.565   6.4393   0.0000   0.0000   69.565   6.4393  ?   ?   159.130   7.4886      ?      ? 
1 1 1   21   22   35 o   53.908   16.572   8.6102   5.2954   0.0000   0.0000   8.6102   5.2954  ?   ?    53.908   16.572      ?      ? 
1 1 1   21   22   36 f   89.139   11.470   22.408   5.5247   0.0000   0.0000   22.408   5.5247  ?   ?    89.139   11.470      ?      ? 
1 1 1   21   22   37 o  101.196   10.280   28.696   5.6214   0.0000   0.0000   28.696   5.6214  ?   ?   101.196   10.280      ?      ? 
1 1 1   21   22   38 o  153.984   7.6846   65.497   6.3941   0.0000   0.0000   65.497   6.3941  ?   ?   153.984   7.6846      ?      ? 
1 1 1   21   22   39 o   89.166   12.542   24.549   4.8410   25.293   10.626   24.354   5.4382   85.811   22.602   92.521   10.877 -6.710747 25.08341 
1 1 1   21   22   40 o   74.303   13.169   18.919   4.9485   13.209   10.435   20.575   5.6207   64.002   23.292   84.604   12.294 -20.60145 26.33750 
1 1 1   21   22   41 o  154.960   9.2335   71.353   5.9019   65.856   13.478   72.657   6.5647  147.778   16.879  162.143   7.4925 -14.36453 18.46704 
1 1 1   21   22   42 o   44.618   13.602   0.8104   6.5981 -13.5360   11.921   7.1467   7.9223   38.263   18.552   50.974   19.897 -12.71162 27.20389 
1 1 1   21   22   43 o   47.931   13.741   5.9811   5.7285   2.1595   8.6124   9.0132   7.6715   43.324   19.046   52.539   19.813 -9.214470 27.48295 
1 1 1   21   22   44 o  152.184   10.722   66.735   8.8175   0.0000   0.0000   66.735   8.8175  ?   ?   152.184   10.722      ?      ? 
1 1 1   21   22   45 o   48.997   13.927   7.0781   5.5943   7.2101   8.6690   6.9839   7.3232   49.710   20.327   48.285   19.045 1.425705 27.85478 
1 1 1   21   23    0 o   76.819   15.266   16.636   6.7254   11.828   9.1012   22.419   9.9821   66.007   21.883   87.630   21.291 -21.62333 30.53143 
1 1 1   21   23    1 o   41.254   13.128  -7.5781   6.4742 -15.3233   8.7483   1.8000   9.6263   32.116   15.644   50.392   21.087 -18.27615 26.25675 
1 1 1   21   23    2 o  239.443   10.201  156.389   13.198   0.0000   0.0000  156.389   13.198  ?   ?   239.443   10.201      ?      ? 
1 1 1   21   23    4 o  119.061   10.954   38.931   6.9198   29.700   9.3921   49.892   10.234  103.481   16.796  134.641   14.067 -31.16006 21.90864 
1 1 1   21   23    5 o   79.626   14.475   18.258   6.7649   28.250   9.5812   8.3250   9.5528   99.172   18.561   60.079   22.217 39.09304 28.95034 
1 1 1   21   23    6 o  275.981   9.6131  207.618   14.336   0.0000   0.0000  207.618   14.336  ?   ?   275.981   9.6131      ?      ? 
1 1 1   21   23    7 o  219.149   7.2816  130.860   8.6149  137.956   12.492  124.423   11.897  224.808   10.283  213.491   10.312 11.31731 14.56316 
1 1 1   21   23    8 o  120.589   10.694   40.594   6.8276   50.212   9.7199   31.225   9.5926  135.141   13.310  106.037   16.741 29.10336 21.38773 
1 1 1   21   23    9 o  105.982   16.261   31.161   9.3124   0.0000   0.0000   31.161   9.3124  ?   ?   105.982   16.261      ?      ? 
1 1 1   21   23   10 o  228.389   6.7042  145.467   7.8668  131.171   12.996  153.735   9.8831  218.970   10.983  237.808   7.6909 -18.83763 13.40847 
1 1 1   21   23   11 o   33.338   11.166  -8.5786   5.3338  -8.6149   7.9360  -8.5487   7.2035   34.444   16.265   32.231   15.302 2.213425 22.33171 
1 1 1   21   23   12 o  132.345   10.551   47.916   7.5457   0.0000   0.0000   47.916   7.5457  ?   ?   132.345   10.551      ?      ? 
1 1 1   21   23   13 o   59.227   18.359   9.8800   6.4837   0.0000   0.0000   9.8800   6.4837  ?   ?    59.227   18.359      ?      ? 
1 1 1   21   23   14 o  119.118   10.774   38.901   6.9351   0.0000   0.0000   38.901   6.9351  ?   ?   119.118   10.774      ?      ? 
1 1 1   21   23   15 o  149.134   8.9397   60.729   7.2042   0.0000   0.0000   60.729   7.2042  ?   ?   149.134   8.9397      ?      ? 
1 1 1   21   23   16 o   61.596   18.521   10.888   6.6652   0.0000   0.0000   10.888   6.6652  ?   ?    61.596   18.521      ?      ? 
1 1 1   21   23   17 o  228.650   13.140  144.689   16.235   0.0000   0.0000  144.689   16.235  ?   ?   228.650   13.140      ?      ? 
1 1 1   21   23   18 o  127.230   9.9513   44.367   6.8416   0.0000   0.0000   44.367   6.8416  ?   ?   127.230   9.9513      ?      ? 
1 1 1   21   23   19 o  325.055   8.1832  288.388   14.374   0.0000   0.0000  288.388   14.374  ?   ?   325.055   8.1832      ?      ? 
1 1 1   21   23   20 o   58.720   17.885   9.9096   6.1857   0.0000   0.0000   9.9096   6.1857  ?   ?    58.720   17.885      ?      ? 
1 1 1   21   23   22 o  108.340   13.318   32.750   7.7971   0.0000   0.0000   32.750   7.7971  ?   ?   108.340   13.318      ?      ? 
1 1 1   21   23   23 o   96.346   12.169   25.783   6.3356   0.0000   0.0000   25.783   6.3356  ?   ?    96.346   12.169      ?      ? 
1 1 1   21   23   24 o  138.890   8.9977   52.965   6.7529   0.0000   0.0000   52.965   6.7529  ?   ?   138.890   8.9977      ?      ? 
1 1 1   21   23   25 o   37.071   15.911   0.1839   5.7195   0.0000   0.0000   0.1839   5.7195  ?   ?    37.071   15.911      ?      ? 
1 1 1   21   23   26 o   36.686   15.777   0.1073   5.6431   0.0000   0.0000   0.1073   5.6431  ?   ?    36.686   15.777      ?      ? 
1 1 1   21   23   27 o   75.911   14.969   16.859   5.9222   0.0000   0.0000   16.859   5.9222  ?   ?    75.911   14.969      ?      ? 
1 1 1   21   23   28 o   52.332   17.509   7.6994   5.8232   0.0000   0.0000   7.6994   5.8232  ?   ?    52.332   17.509      ?      ? 
1 1 1   21   23   29 o   96.252   11.387   25.877   5.9225   0.0000   0.0000   25.877   5.9225  ?   ?    96.252   11.387      ?      ? 
1 1 1   21   23   30 o  110.325   10.501   33.883   6.2602   0.0000   0.0000   33.883   6.2602  ?   ?   110.325   10.501      ?      ? 
1 1 1   21   23   31 o   75.440   15.207   16.902   5.9852   0.0000   0.0000   16.902   5.9852  ?   ?    75.440   15.207      ?      ? 
1 1 1   21   23   32 o  233.274   6.9320  149.137   8.7380   0.0000   0.0000  149.137   8.7380  ?   ?   233.274   6.9320      ?      ? 
1 1 1   21   23   33 o  218.425   9.1591  132.162   10.810   0.0000   0.0000  132.162   10.810  ?   ?   218.425   9.1591      ?      ? 
1 1 1   21   23   34 o   76.858   14.564   17.545   5.8272   0.0000   0.0000   17.545   5.8272  ?   ?    76.858   14.564      ?      ? 
1 1 1   21   23   35 o   61.486   16.369   11.568   5.5350   0.0000   0.0000   11.568   5.5350  ?   ?    61.486   16.369      ?      ? 
1 1 1   21   23   36 o  206.485   6.7115  117.150   7.4886   0.0000   0.0000  117.150   7.4886  ?   ?   206.485   6.7115      ?      ? 
1 1 1   21   23   37 o  129.288   8.6975   46.683   6.0763   0.0000   0.0000   46.683   6.0763  ?   ?   129.288   8.6975      ?      ? 
1 1 1   21   23   38 o   30.621   14.024  -2.6841   5.2310   0.0000   0.0000  -2.6841   5.2310  ?   ?    30.621   14.024      ?      ? 
1 1 1   21   23   39 o  229.395   11.890  150.349   14.738   0.0000   0.0000  150.349   14.738  ?   ?   229.395   11.890      ?      ? 
1 1 1   21   23   40 o   58.894   15.323   9.4814   5.3255   14.534   12.389   8.3362   5.8983   65.610   25.073   52.178   17.621 13.43156 30.64598 
1 1 1   21   23   41 o   54.650   14.641   8.6912   5.0861   14.173   11.075   7.2258   5.7256   61.291   23.635   48.008   17.285 13.28345 29.28137 
1 1 1   21   23   42 o   51.060   13.876   7.3560   4.6569   7.5135   10.737   7.3195   5.1684   53.488   22.317   48.631   16.494 4.857433 27.75118 
1 1 1   21   23   43 f   72.132   15.237   20.234   6.6035   15.005   11.469   22.827   8.0767   62.524   24.068   81.741   18.692 -19.21701 30.47421 
1 1 1   21   24    0 o  115.917   11.527   37.337   7.2151   36.765   10.348   37.879   10.065  114.982   16.654  116.851   15.941 -1.868073 23.05375 
1 1 1   21   24    1 o   67.842   14.763   11.659   6.6026   2.9440   9.1368   21.184   9.5520   50.712   20.818   84.973   20.938 -34.26138 29.52615 
1 1 1   21   24    2 o   60.124   15.280   8.1049   6.6562   13.591   9.3807   2.5419   9.4462   69.437   22.160   50.811   21.044 18.62588 30.55983 
1 1 1   21   24    3 o   66.345   13.720   7.8268   6.9271   25.486   10.004  -8.4388   9.6011   93.363   20.400   39.328   18.353 54.03521 27.44056 
1 1 1   21   24    4 o  247.730   9.9241  167.631   13.285   0.0000   0.0000  167.631   13.285  ?   ?   247.730   9.9241      ?      ? 
1 1 1   21   24    5 o  134.135   10.301   49.689   7.4111   58.263   10.763   41.960   10.219  145.298   13.709  122.972   15.379 22.32660 20.60227 
1 1 1   21   24    6 o  162.196   8.7370   72.380   7.6433   78.087   10.891   66.840   10.730  168.590   11.955  155.801   12.744 12.78891 17.47399 
1 1 1   21   24    7 o   63.616   13.797   9.4897   6.4011   20.661   8.7271  -3.5190   9.4173   83.920   19.600   43.312   19.424 40.60832 27.59394 
1 1 1   21   24    8 o  271.722   9.9255  201.977   14.574  201.977   14.574   0.0000   0.0000  271.722   9.9255  ?   ?       ?      ? 
1 1 1   21   24    9 o   54.054   14.647   5.8043   6.1382   8.8494   8.3580   2.2389   9.0439   58.857   20.916   49.250   20.510 9.607265 29.29412 
1 1 1   21   24   10 o  181.107   7.3176   91.037   6.8142   86.013   11.388   93.839   8.5049  176.744   11.924  185.469   8.4861 -8.725189 14.63516 
1 1 1   21   24   11 o  195.773   7.0017  102.278   6.9956  113.040   12.338   97.178   8.4929  202.790   11.259  188.755   8.3266 14.03413 14.00341 
1 1 1   21   24   12 o   47.836   18.495   4.4958   6.7953   0.0000   0.0000   4.4958   6.7953  ?   ?    47.836   18.495      ?      ? 
1 1 1   21   24   13 o  230.388   8.0837  144.755   10.064   0.0000   0.0000  144.755   10.064  ?   ?   230.388   8.0837      ?      ? 
1 1 1   21   24   14 o  142.669   9.6576   55.751   7.4454   0.0000   0.0000   55.751   7.4454  ?   ?   142.669   9.6576      ?      ? 
1 1 1   21   24   15 o  227.144   7.8717  140.725   9.6618   0.0000   0.0000  140.725   9.6618  ?   ?   227.144   7.8717      ?      ? 
1 1 1   21   24   16 o  105.823   11.776   30.936   6.7337   0.0000   0.0000   30.936   6.7337  ?   ?   105.823   11.776      ?      ? 
1 1 1   21   24   17 o  163.775   8.5372   73.382   7.5553   0.0000   0.0000   73.382   7.5553  ?   ?   163.775   8.5372      ?      ? 
1 1 1   21   24   18 o  122.053   10.849   41.111   7.1555   0.0000   0.0000   41.111   7.1555  ?   ?   122.053   10.849      ?      ? 
1 1 1   21   24   19 o  205.912   11.188  117.228   12.449   0.0000   0.0000  117.228   12.449  ?   ?   205.912   11.188      ?      ? 
1 1 1   21   24   20 o  151.818   8.7876   63.198   7.2091   0.0000   0.0000   63.198   7.2091  ?   ?   151.818   8.7876      ?      ? 
1 1 1   21   24   21 o  177.730   8.0685   86.480   7.7489   0.0000   0.0000   86.480   7.7489  ?   ?   177.730   8.0685      ?      ? 
1 1 1   21   24   22 f   75.860   18.966   17.372   7.7540   0.0000   0.0000   17.372   7.7540  ?   ?    75.860   18.966      ?      ? 
1 1 1   21   24   23 o  257.458   7.3926  181.270   10.285   0.0000   0.0000  181.270   10.285  ?   ?   257.458   7.3926      ?      ? 
1 1 1   21   24   24 o  111.874   11.132   34.770   6.7298   0.0000   0.0000   34.770   6.7298  ?   ?   111.874   11.132      ?      ? 
1 1 1   21   24   25 o   42.097   17.498   1.9515   6.5645   0.0000   0.0000   1.9515   6.5645  ?   ?    42.097   17.498      ?      ? 
1 1 1   21   24   26 o   79.787   14.675   18.627   6.0937   0.0000   0.0000   18.627   6.0937  ?   ?    79.787   14.675      ?      ? 
1 1 1   21   24   27 o  150.727   8.4767   62.569   6.9041   0.0000   0.0000   62.569   6.9041  ?   ?   150.727   8.4767      ?      ? 
1 1 1   21   24   28 o  111.906   10.536   34.902   6.3710   0.0000   0.0000   34.902   6.3710  ?   ?   111.906   10.536      ?      ? 
1 1 1   21   24   29 o  126.591   13.233   45.556   9.0521   0.0000   0.0000   45.556   9.0521  ?   ?   126.591   13.233      ?      ? 
1 1 1   21   24   30 o  116.738   9.9623   37.905   6.2843   0.0000   0.0000   37.905   6.2843  ?   ?   116.738   9.9623      ?      ? 
1 1 1   21   24   31 o  113.154   15.074   37.025   9.2166   0.0000   0.0000   37.025   9.2166  ?   ?   113.154   15.074      ?      ? 
1 1 1   21   24   32 f  118.730   10.187   39.443   6.5355   0.0000   0.0000   39.443   6.5355  ?   ?   118.730   10.187      ?      ? 
1 1 1   21   24   33 o  130.586   9.4897   47.534   6.6963   0.0000   0.0000   47.534   6.6963  ?   ?   130.586   9.4897      ?      ? 
1 1 1   21   24   34 o  153.796   14.461   69.090   12.018   0.0000   0.0000   69.090   12.018  ?   ?   153.796   14.461      ?      ? 
1 1 1   21   24   35 o   50.013   17.294   7.4079   5.6882   0.0000   0.0000   7.4079   5.6882  ?   ?    50.013   17.294      ?      ? 
1 1 1   21   24   36 o   78.019   15.168   18.510   6.1642   0.0000   0.0000   18.510   6.1642  ?   ?    78.019   15.168      ?      ? 
1 1 1   21   24   37 o  121.637   10.024   41.609   6.5888   0.0000   0.0000   41.609   6.5888  ?   ?   121.637   10.024      ?      ? 
1 1 1   21   24   38 o   41.949   17.093   3.3059   6.1028   0.0000   0.0000   3.3059   6.1028  ?   ?    41.949   17.093      ?      ? 
1 1 1   21   24   39 o   75.577   15.648   18.368   6.1803   0.0000   0.0000   18.368   6.1803  ?   ?    75.577   15.648      ?      ? 
1 1 1   21   24   40 o   51.912   12.812   8.9550   4.8686  -1.9108   10.401   12.003   5.5093   42.926   19.702   60.898   16.383 -17.97222 25.62359 
1 1 1   21   24   41 o   50.165   11.658   7.9114   4.9743 -14.8423   10.853   13.962   5.5967   34.705   17.015   65.625   15.941 -30.91972 23.31594 
1 1 1   21   24   42 o   39.758   12.097   1.9897   4.9384 -11.1036   10.728   5.5100   5.5628   35.859   17.435   43.657   16.773 -7.798241 24.19339 
1 1 1   21   25    0 o   94.436   13.850   26.280   7.0674   14.086   9.8239   39.361   10.175   70.194   22.707  118.679   15.866 -48.48563 27.70062 
1 1 1   21   25    1 o  173.406   8.5203   82.829   7.9741   88.484   11.401   77.414   11.157  179.276   11.769  167.536   12.324 11.73982 17.04069 
1 1 1   21   25    3 f   55.561   14.621   5.5585   6.4750   12.637   8.8877  -2.4485   9.4525   66.726   21.599   44.396   19.714 22.32985 29.24294 
1 1 1   21   25    4 o  152.417   8.8225   64.315   7.2409   69.683   10.173   58.803   10.309  159.043   11.837  145.790   13.085 13.25348 17.64504 
1 1 1   21   25    5 o   75.565   14.819   17.134   6.4797   21.870   8.7636   11.423   9.6239   86.173   19.300   64.957   22.493 21.21652 29.63837 
1 1 1   21   25    6 o  117.237   11.029   39.060   6.8557   43.276   9.2170   33.838   10.257  124.898   13.657  109.575   17.323 15.32367 22.05887 
1 1 1   21   25    9 o   69.069   14.274   13.848   5.6463   15.824   8.4773   12.272   7.5696   73.086   20.587   65.052   19.778 8.034714 28.54816 
1 1 1   21   25   10 o  168.454   7.8644   74.782   6.9554   92.860   11.646   64.758   8.6718  183.406   11.751  153.501   10.455 29.90480 15.72873 
1 1 1   21   25   11 o   44.310   18.442   1.8464   7.3068   0.0000   0.0000   1.8464   7.3068  ?   ?    44.310   18.442      ?      ? 
1 1 1   21   25   12 o  153.086   9.4465   64.292   7.8144   0.0000   0.0000   64.292   7.8144  ?   ?   153.086   9.4465      ?      ? 
1 1 1   21   25   13 f   59.638   18.490   10.265   6.5764   0.0000   0.0000   10.265   6.5764  ?   ?    59.638   18.490      ?      ? 
1 1 1   21   25   14 o  140.320   9.7857   54.139   7.4200   0.0000   0.0000   54.139   7.4200  ?   ?   140.320   9.7857      ?      ? 
1 1 1   21   25   15 o  203.731   8.0502  113.506   8.8624   0.0000   0.0000  113.506   8.8624  ?   ?   203.731   8.0502      ?      ? 
1 1 1   21   25   16 o  112.072   11.070   34.739   6.7041   0.0000   0.0000   34.739   6.7041  ?   ?   112.072   11.070      ?      ? 
1 1 1   21   25   17 o   96.361   13.221   25.978   6.8843   0.0000   0.0000   25.978   6.8843  ?   ?    96.361   13.221      ?      ? 
1 1 1   21   25   18 o  115.501   11.096   36.998   6.9251   0.0000   0.0000   36.998   6.9251  ?   ?   115.501   11.096      ?      ? 
1 1 1   21   25   19 o  110.026   11.568   33.678   6.8776   0.0000   0.0000   33.678   6.8776  ?   ?   110.026   11.568      ?      ? 
1 1 1   21   25   20 o  193.391   14.718  105.957   15.381   0.0000   0.0000  105.957   15.381  ?   ?   193.391   14.718      ?      ? 
1 1 1   21   25   21 o  231.222   13.399  150.444   16.741   0.0000   0.0000  150.444   16.741  ?   ?   231.222   13.399      ?      ? 
1 1 1   21   25   22 o  213.080   8.9281  125.064   10.280   0.0000   0.0000  125.064   10.280  ?   ?   213.080   8.9281      ?      ? 
1 1 1   21   25   23 o   33.598   15.770  -6.4700   7.2601   0.0000   0.0000  -6.4700   7.2601  ?   ?    33.598   15.770      ?      ? 
1 1 1   21   25   24 o  100.695   12.708   28.587   6.9148   0.0000   0.0000   28.587   6.9148  ?   ?   100.695   12.708      ?      ? 
1 1 1   21   25   25 o   55.617   18.146   9.0492   6.2671   0.0000   0.0000   9.0492   6.2671  ?   ?    55.617   18.146      ?      ? 
1 1 1   21   25   26 o   79.676   15.154   18.810   6.2859   0.0000   0.0000   18.810   6.2859  ?   ?    79.676   15.154      ?      ? 
1 1 1   21   25   27 o   42.233   16.894   3.2169   5.8401   0.0000   0.0000   3.2169   5.8401  ?   ?    42.233   16.894      ?      ? 
1 1 1   21   25   28 o   65.869   16.959   13.196   6.0723   0.0000   0.0000   13.196   6.0723  ?   ?    65.869   16.959      ?      ? 
1 1 1   21   25   29 o   44.656   17.315   4.4244   5.9692   0.0000   0.0000   4.4244   5.9692  ?   ?    44.656   17.315      ?      ? 
1 1 1   21   25   30 o  121.936   10.002   41.582   6.5905   0.0000   0.0000   41.582   6.5905  ?   ?   121.936   10.002      ?      ? 
1 1 1   21   25   31 o  146.516   8.7350   59.591   6.9157   0.0000   0.0000   59.591   6.9157  ?   ?   146.516   8.7350      ?      ? 
1 1 1   21   25   32 o  126.340   9.8053   44.852   6.6941   0.0000   0.0000   44.852   6.6941  ?   ?   126.340   9.8053      ?      ? 
1 1 1   21   25   33 o   89.020   12.953   23.024   6.2306   0.0000   0.0000   23.024   6.2306  ?   ?    89.020   12.953      ?      ? 
1 1 1   21   25   34 o   25.930   12.747 -11.5327   6.2205   0.0000   0.0000 -11.5327   6.2205  ?   ?    25.930   12.747      ?      ? 
1 1 1   21   25   35 o  165.340   8.5053   76.039   7.5990   0.0000   0.0000   76.039   7.5990  ?   ?   165.340   8.5053      ?      ? 
1 1 1   21   25   36 o   49.284   17.812   7.0692   6.0873   0.0000   0.0000   7.0692   6.0873  ?   ?    49.284   17.812      ?      ? 
1 1 1   21   25   37 o   45.267   17.574   5.7635   6.1550   0.0000   0.0000   5.7635   6.1550  ?   ?    45.267   17.574      ?      ? 
1 1 1   21   25   38 o   40.633   16.802   3.0665   6.0079   0.0000   0.0000   3.0665   6.0079  ?   ?    40.633   16.802      ?      ? 
1 1 1   21   25   39 o   28.178   13.515  -6.5666   5.9288   0.0000   0.0000  -6.5666   5.9288  ?   ?    28.178   13.515      ?      ? 
1 1 1   21   25   40 o   85.708   12.416   22.127   5.7504   0.0000   0.0000   22.127   5.7504  ?   ?    85.708   12.416      ?      ? 
1 1 1   21   26    0 o  177.321   12.427   87.106   11.907   87.106   11.907   0.0000   0.0000  177.321   12.427  ?   ?       ?      ? 
1 1 1   21   26    1 o   62.332   13.784   5.5935   6.7434  -9.1680   9.1632   23.033   9.9599   37.180   17.533   87.485   21.274 -50.30445 27.56789 
1 1 1   21   26    2 o   72.679   13.731   13.560   6.8637   29.435   9.7949  -1.7551   9.6209  100.062   18.806   45.296   20.012 54.76619 27.46137 
1 1 1   21   26    3 o   51.394   14.761   3.3054   6.6575   7.6041   9.0277  -1.8195   9.8570   57.028   21.497   45.759   20.234 11.26919 29.52165 
1 1 1   21   26    4 o   56.026   15.149   5.7913   6.7161   0.2414   9.3062   11.824   9.7023   46.808   20.195   65.243   22.585 -18.43492 30.29705 
1 1 1   21   26    5 o  130.707   10.295   48.495   7.1684   55.165   9.8850   41.096   10.411  140.791   12.993  120.622   15.972 20.16862 20.58958 
1 1 1   21   26    6 o  117.809   10.982   38.832   6.9633   35.590   9.3582   42.855   10.423  112.380   15.410  123.238   15.651 -10.85780 21.96455 
1 1 1   21   26    7 o   59.317   15.011   7.2604   6.4549   1.1129   8.4618   15.817   9.9828   45.872   19.511   72.761   22.817 -26.88883 30.02185 
1 1 1   21   26    8 o   71.750   13.995   14.583   5.6707   21.090   8.8721   10.089   7.3733   83.792   19.892   59.708   19.692 24.08355 27.99066 
1 1 1   21   26    9 o  191.589   8.0443  101.072   8.3016  112.950   12.193   90.809   11.334  202.112   11.165  181.064   11.584 21.04791 16.08864 
1 1 1   21   26   10 o  199.049   7.2913  109.436   7.6566  108.198   12.180  110.245   9.8451  197.674   11.403  200.423   9.0904 -2.748978 14.58263 
1 1 1   21   26   11 o   64.926   19.052   12.491   7.1209   0.0000   0.0000   12.491   7.1209  ?   ?    64.926   19.052      ?      ? 
1 1 1   21   26   12 o  252.112   13.018  177.695   17.734   0.0000   0.0000  177.695   17.734  ?   ?   252.112   13.018      ?      ? 
1 1 1   21   26   13 o   48.369   18.546   5.0974   6.7919   0.0000   0.0000   5.0974   6.7919  ?   ?    48.369   18.546      ?      ? 
1 1 1   21   26   14 o  194.097   8.7380  103.499   9.1647   0.0000   0.0000  103.499   9.1647  ?   ?   194.097   8.7380      ?      ? 
1 1 1   21   26   15 o   65.057   18.330   12.665   6.7193   0.0000   0.0000   12.665   6.7193  ?   ?    65.057   18.330      ?      ? 
1 1 1   21   26   16 o   56.240   18.520   9.0214   6.5226   0.0000   0.0000   9.0214   6.5226  ?   ?    56.240   18.520      ?      ? 
1 1 1   21   26   17 o  133.773   10.114   49.497   7.3107   0.0000   0.0000   49.497   7.3107  ?   ?   133.773   10.114      ?      ? 
1 1 1   21   26   18 o   58.784   18.751   10.133   6.7168   0.0000   0.0000   10.133   6.7168  ?   ?    58.784   18.751      ?      ? 
1 1 1   21   26   19 o  115.705   10.958   37.277   6.8512   0.0000   0.0000   37.277   6.8512  ?   ?   115.705   10.958      ?      ? 
1 1 1   21   26   20 o  104.153   12.372   30.497   6.9628   0.0000   0.0000   30.497   6.9628  ?   ?   104.153   12.372      ?      ? 
1 1 1   21   26   21 o   99.749   12.446   28.031   6.7087   0.0000   0.0000   28.031   6.7087  ?   ?    99.749   12.446      ?      ? 
1 1 1   21   26   22 o   37.063   16.354  -0.9556   6.4056   0.0000   0.0000  -0.9556   6.4056  ?   ?    37.063   16.354      ?      ? 
1 1 1   21   26   23 o  100.949   15.130   29.412   8.2532   0.0000   0.0000   29.412   8.2532  ?   ?   100.949   15.130      ?      ? 
1 1 1   21   26   24 o   59.699   19.798   10.632   7.4487   0.0000   0.0000   10.632   7.4487  ?   ?    59.699   19.798      ?      ? 
1 1 1   21   26   25 o   77.671   16.076   18.097   6.5249   0.0000   0.0000   18.097   6.5249  ?   ?    77.671   16.076      ?      ? 
1 1 1   21   26   26 o   48.165   17.894   5.9285   6.2110   0.0000   0.0000   5.9285   6.2110  ?   ?    48.165   17.894      ?      ? 
1 1 1   21   26   27 o   78.947   16.076   18.875   6.6252   0.0000   0.0000   18.875   6.6252  ?   ?    78.947   16.076      ?      ? 
1 1 1   21   26   28 o   66.962   17.530   13.909   6.4176   0.0000   0.0000   13.909   6.4176  ?   ?    66.962   17.530      ?      ? 
1 1 1   21   26   29 o   57.292   18.699   10.118   6.6547   0.0000   0.0000   10.118   6.6547  ?   ?    57.292   18.699      ?      ? 
1 1 1   21   26   30 o  114.438   11.226   37.374   6.9421   0.0000   0.0000   37.374   6.9421  ?   ?   114.438   11.226      ?      ? 
1 1 1   21   26   31 o   42.387   17.606   2.7938   6.6393   0.0000   0.0000   2.7938   6.6393  ?   ?    42.387   17.606      ?      ? 
1 1 1   21   26   32 o   49.589   18.548   6.6223   6.6952   0.0000   0.0000   6.6223   6.6952  ?   ?    49.589   18.548      ?      ? 
1 1 1   21   26   33 o   35.983   16.242  -1.9349   6.7063   0.0000   0.0000  -1.9349   6.7063  ?   ?    35.983   16.242      ?      ? 
1 1 1   21   26   34 o   36.263   16.099  -0.3325   6.2997   0.0000   0.0000  -0.3325   6.2997  ?   ?    36.263   16.099      ?      ? 
1 1 1   21   26   35 o   69.018   17.286   15.961   6.4327   0.0000   0.0000   15.961   6.4327  ?   ?    69.018   17.286      ?      ? 
1 1 1   21   26   36 o   43.023   17.450   4.0795   6.3250   0.0000   0.0000   4.0795   6.3250  ?   ?    43.023   17.450      ?      ? 
1 1 1   21   26   37 o   64.100   17.770   13.923   6.3688   0.0000   0.0000   13.923   6.3688  ?   ?    64.100   17.770      ?      ? 
1 1 1   21   26   38 o  114.082   10.699   38.172   6.5956   0.0000   0.0000   38.172   6.5956  ?   ?   114.082   10.699      ?      ? 
1 1 1   21   27    0 o   99.203   19.594   34.810   10.706   14.631   25.670   39.058   11.779   82.155   34.412  116.252   18.750 -34.09749 39.18859 
1 1 1   21   27    1 o   60.937   15.730   9.5739   6.7839   7.4163   9.4794   11.839   9.7125   57.002   21.897   64.872   22.589 -7.870586 31.46015 
1 1 1   21   27    2 o   84.562   14.831   21.572   6.8453   16.082   9.3756   27.838   10.018   72.879   21.979   96.245   19.919 -23.36530 29.66173 
1 1 1   21   27    3 o  167.146   8.7020   77.734   7.8543   74.982   10.870   80.742   11.362  164.072   12.260  170.219   12.353 -6.146927 17.40392 
1 1 1   21   27    4 o   79.839   15.297   19.589   6.9049   24.382   9.7144   14.695   9.8164   89.575   20.511   70.103   22.700 19.47246 30.59430 
1 1 1   21   27    5 o   42.420   13.445  -2.6264   6.3177  -2.8066   8.3952  -2.3910   9.5933   40.709   18.292   44.132   19.711 -3.423046 26.89094 
1 1 1   21   27    6 o  149.877   13.726   63.177   11.117   0.0000   0.0000   63.177   11.117  ?   ?   149.877   13.726      ?      ? 
1 1 1   21   27    7 o   56.327   14.883   6.0413   6.7857   13.959   9.3507  -2.7673   9.8626   68.342   22.158   44.313   19.875 24.02904 29.76525 
1 1 1   21   27    8 o   71.399   13.861   13.663   5.6681   24.054   9.3305   7.5863   7.1356   89.022   19.897   53.777   19.303 35.24474 27.72183 
1 1 1   21   27    9 o  141.703   8.6460   55.600   6.3887   57.838   10.593   54.321   8.0092  143.351   13.675  140.054   10.583 3.296936 17.29195 
1 1 1   21   27   10 o   96.221   14.184   26.148   7.3749   0.0000   0.0000   26.148   7.3749  ?   ?    96.221   14.184      ?      ? 
1 1 1   21   27   11 o   96.981   13.308   26.441   6.9740   0.0000   0.0000   26.441   6.9740  ?   ?    96.981   13.308      ?      ? 
1 1 1   21   27   12 o  106.281   12.103   31.571   6.9510   0.0000   0.0000   31.571   6.9510  ?   ?   106.281   12.103      ?      ? 
1 1 1   21   27   13 o   67.884   18.824   13.969   7.1462   0.0000   0.0000   13.969   7.1462  ?   ?    67.884   18.824      ?      ? 
1 1 1   21   27   14 o  136.499   10.565   51.761   7.7925   0.0000   0.0000   51.761   7.7925  ?   ?   136.499   10.565      ?      ? 
1 1 1   21   27   15 o   81.716   16.735   19.939   7.1408   0.0000   0.0000   19.939   7.1408  ?   ?    81.716   16.735      ?      ? 
1 1 1   21   27   16 o   47.005   18.537   4.4510   6.9371   0.0000   0.0000   4.4510   6.9371  ?   ?    47.005   18.537      ?      ? 
1 1 1   21   27   17 o   85.159   15.403   21.401   6.8270   0.0000   0.0000   21.401   6.8270  ?   ?    85.159   15.403      ?      ? 
1 1 1   21   27   18 o  135.998   10.352   51.519   7.6073   0.0000   0.0000   51.519   7.6073  ?   ?   135.998   10.352      ?      ? 
1 1 1   21   27   19 o   59.513   18.746   10.670   6.7299   0.0000   0.0000   10.670   6.7299  ?   ?    59.513   18.746      ?      ? 
1 1 1   21   27   20 o   33.443   15.404  -3.9570   6.4367   0.0000   0.0000  -3.9570   6.4367  ?   ?    33.443   15.404      ?      ? 
1 1 1   21   27   21 o   83.240   15.949   20.671   6.9127   0.0000   0.0000   20.671   6.9127  ?   ?    83.240   15.949      ?      ? 
1 1 1   21   27   22 o   93.940   13.806   25.259   7.0082   0.0000   0.0000   25.259   7.0082  ?   ?    93.940   13.806      ?      ? 
1 1 1   21   27   23 o   32.076   14.896  -4.4059   6.2037   0.0000   0.0000  -4.4059   6.2037  ?   ?    32.076   14.896      ?      ? 
1 1 1   21   27   24 o   60.894   20.284   11.416   7.8164   0.0000   0.0000   11.416   7.8164  ?   ?    60.894   20.284      ?      ? 
1 1 1   21   27   25 o   34.590   15.828  -3.2550   6.6448   0.0000   0.0000  -3.2550   6.6448  ?   ?    34.590   15.828      ?      ? 
1 1 1   21   27   26 o   90.110   14.223   23.692   6.9254   0.0000   0.0000   23.692   6.9254  ?   ?    90.110   14.223      ?      ? 
1 1 1   21   27   27 o   60.888   18.801   11.878   6.8073   0.0000   0.0000   11.878   6.8073  ?   ?    60.888   18.801      ?      ? 
1 1 1   21   27   28 o  105.484   12.583   32.143   7.1726   0.0000   0.0000   32.143   7.1726  ?   ?   105.484   12.583      ?      ? 
1 1 1   21   27   29 f   42.107   17.701   2.2843   6.8321   0.0000   0.0000   2.2843   6.8321  ?   ?    42.107   17.701      ?      ? 
1 1 1   21   27   30 o  106.672   12.520   32.719   7.2168   0.0000   0.0000   32.719   7.2168  ?   ?   106.672   12.520      ?      ? 
1 1 1   21   27   31 o   65.137   18.258   13.769   6.6848   0.0000   0.0000   13.769   6.6848  ?   ?    65.137   18.258      ?      ? 
1 1 1   21   27   32 o   53.416   18.744   9.4976   6.6932   0.0000   0.0000   9.4976   6.6932  ?   ?    53.416   18.744      ?      ? 
1 1 1   21   27   33 o   44.859   17.798   5.1395   6.4307   0.0000   0.0000   5.1395   6.4307  ?   ?    44.859   17.798      ?      ? 
1 1 1   21   27   34 o   82.678   15.514   21.496   6.6763   0.0000   0.0000   21.496   6.6763  ?   ?    82.678   15.514      ?      ? 
1 1 1   21   27   35 o   38.462   16.695   1.5970   6.4376   0.0000   0.0000   1.5970   6.4376  ?   ?    38.462   16.695      ?      ? 
1 1 1   21   28    0 o  160.687   25.541   80.293   22.177   0.0000   0.0000   80.293   22.177  ?   ?   160.687   25.541      ?      ? 
1 1 1   21   28    1 o  101.451   26.248   35.362   18.342   48.288   29.986   27.635   23.185  111.684   39.626   91.217   34.434 20.46601 52.49688 
1 1 1   21   28    2 o   94.064   21.484   25.880   17.306 -28.9189   29.145   55.721   21.507   60.643   29.307  127.485   31.422 -66.84167 42.96793 
1 1 1   21   28    3 o   75.665   22.988   8.3587   17.894 -11.7387   28.793   21.004   22.840   67.212   31.501   84.118   33.488 -16.90565 45.97565 
1 1 1   21   28    4 o  121.239   18.842   65.354   11.099   11.124   29.174   74.531   12.001   80.016   35.118  162.461   13.671 -82.44477 37.68473 
1 1 1   21   28    5 o   48.633   14.681   1.6655   6.8224   0.7386   9.4896   2.6571   9.8154   47.113   20.359   50.154   21.157 -3.040825 29.36183 
1 1 1   21   28    6 o   77.118   14.236   19.217   6.5136   26.820   8.5739   8.8411   10.017   94.938   17.352   59.298   22.573 35.63966 28.47178 
1 1 1   21   28    7 o  149.056   8.7831   63.958   6.6246   57.432   11.222   67.448   8.2072  141.982   14.627  156.130   9.7280 -14.14738 17.56625 
1 1 1   21   28    8 o  135.124   10.025   55.569   6.6209   41.396   11.167   63.253   8.2221  119.218   17.334  151.030   10.075 -31.81252 20.04907 
1 1 1   21   28    9 o   57.082   19.389   9.3483   7.1414   0.0000   0.0000   9.3483   7.1414  ?   ?    57.082   19.389      ?      ? 
1 1 1   21   28   10 o   37.563   16.712  -1.5563   6.8240   0.0000   0.0000  -1.5563   6.8240  ?   ?    37.563   16.712      ?      ? 
1 1 1   21   28   11 o  107.069   12.857   32.387   7.4385   0.0000   0.0000   32.387   7.4385  ?   ?   107.069   12.857      ?      ? 
1 1 1   21   28   12 o  134.147   10.516   50.143   7.6230   0.0000   0.0000   50.143   7.6230  ?   ?   134.147   10.516      ?      ? 
1 1 1   21   28   13 o  107.591   12.982   32.813   7.5477   0.0000   0.0000   32.813   7.5477  ?   ?   107.591   12.982      ?      ? 
1 1 1   21   28   14 o   44.927   18.322   3.2785   7.0198   0.0000   0.0000   3.2785   7.0198  ?   ?    44.927   18.322      ?      ? 
1 1 1   21   28   15 o  108.655   12.379   33.360   7.2681   0.0000   0.0000   33.360   7.2681  ?   ?   108.655   12.379      ?      ? 
1 1 1   21   28   16 o   40.926   17.608   0.6495   7.0357   0.0000   0.0000   0.6495   7.0357  ?   ?    40.926   17.608      ?      ? 
1 1 1   21   28   17 o   48.797   18.777   5.5335   6.9786   0.0000   0.0000   5.5335   6.9786  ?   ?    48.797   18.777      ?      ? 
1 1 1   21   28   18 o  119.013   11.414   39.846   7.3402   0.0000   0.0000   39.846   7.3402  ?   ?   119.013   11.414      ?      ? 
1 1 1   21   28   19 o  114.379   11.729   36.994   7.2490   0.0000   0.0000   36.994   7.2490  ?   ?   114.379   11.729      ?      ? 
1 1 1   21   28   20 o   44.101   17.916   3.4410   6.6793   0.0000   0.0000   3.4410   6.6793  ?   ?    44.101   17.916      ?      ? 
1 1 1   21   28   21 f   30.782   14.639  -7.1291   6.6487   0.0000   0.0000  -7.1291   6.6487  ?   ?    30.782   14.639      ?      ? 
1 1 1   21   28   22 o   80.966   16.557   20.059   6.9997   0.0000   0.0000   20.059   6.9997  ?   ?    80.966   16.557      ?      ? 
1 1 1   21   28   23 o   51.569   18.753   7.6141   6.7625   0.0000   0.0000   7.6141   6.7625  ?   ?    51.569   18.753      ?      ? 
1 1 1   21   28   24 o   31.384   15.169 -10.1812   7.8129   0.0000   0.0000 -10.1812   7.8129  ?   ?    31.384   15.169      ?      ? 
1 1 1   21   28   25 o   77.880   21.072   20.207   9.0830   0.0000   0.0000   20.207   9.0830  ?   ?    77.880   21.072      ?      ? 
1 1 1   21   28   26 o   38.931   17.155  -0.2762   7.0245   0.0000   0.0000  -0.2762   7.0245  ?   ?    38.931   17.155      ?      ? 
1 1 1   21   28   27 o   58.165   19.082   10.555   6.9270   0.0000   0.0000   10.555   6.9270  ?   ?    58.165   19.082      ?      ? 
1 1 1   21   28   28 o   82.805   16.006   21.263   6.9030   0.0000   0.0000   21.263   6.9030  ?   ?    82.805   16.006      ?      ? 
1 1 1   21   28   29 o  147.169   9.5705   61.983   7.6110   0.0000   0.0000   61.983   7.6110  ?   ?   147.169   9.5705      ?      ? 
1 1 1   21   28   30 o   41.262   17.647   2.5120   6.9918   0.0000   0.0000   2.5120   6.9918  ?   ?    41.262   17.647      ?      ? 
1 1 1   21   28   31 o   60.649   19.018   12.376   6.9353   0.0000   0.0000   12.376   6.9353  ?   ?    60.649   19.018      ?      ? 
1 1 1   21   28   32 o   50.639   18.632   8.2108   6.7037   0.0000   0.0000   8.2108   6.7037  ?   ?    50.639   18.632      ?      ? 
1 1 1   21   28   33 o   88.484   14.482   24.463   6.9244   0.0000   0.0000   24.463   6.9244  ?   ?    88.484   14.482      ?      ? 
1 1 1   21   29    0 o   63.732   16.274   11.159   7.3175   7.0275   9.9597   16.005   10.787   55.991   22.170   71.472   23.830 -15.48077 32.54786 
1 1 1   21   29    1 f   96.155   21.526   29.085   10.906   0.0000   0.0000   29.085   10.906  ?   ?    96.155   21.526      ?      ? 
1 1 1   21   29    2 f  146.175   9.9103   60.684   7.8101   56.019   10.653   66.106   11.484  140.097   14.072  152.253   13.959 -12.15675 19.82067 
1 1 1   21   29    3 o  171.987   13.587   84.163   12.627   0.0000   0.0000   84.163   12.627  ?   ?   171.987   13.587      ?      ? 
1 1 1   21   29    4 o  111.247   18.900   44.130   9.6680   46.190   10.691   34.887   22.645  126.318   15.663   96.176   34.402 30.14177 37.79997 
1 1 1   21   29    5 o   93.927   22.233   25.017   17.670 -18.1261   26.068   61.689   24.033   59.654   28.540  128.200   34.099 -68.54526 44.46657 
1 1 1   21   29    6 o  126.163   16.180   46.349   11.030   0.0000   0.0000   46.349   11.030  ?   ?   126.163   16.180      ?      ? 
1 1 1   21   29    7 o   70.880   24.651   15.770   11.564   0.0000   0.0000   15.770   11.564  ?   ?    70.880   24.651      ?      ? 
1 1 1   21   29    8 o   67.778   24.221   13.976   11.223   0.0000   0.0000   13.976   11.223  ?   ?    67.778   24.221      ?      ? 
1 1 1   21   29    9 o   55.330   20.009   8.4269   7.6839   0.0000   0.0000   8.4269   7.6839  ?   ?    55.330   20.009      ?      ? 
1 1 1   21   29   10 o  106.941   13.103   32.475   7.5716   0.0000   0.0000   32.475   7.5716  ?   ?   106.941   13.103      ?      ? 
1 1 1   21   29   11 o  152.715   9.6017   64.758   7.9235   0.0000   0.0000   64.758   7.9235  ?   ?   152.715   9.6017      ?      ? 
1 1 1   21   29   12 o   68.711   18.950   14.653   7.2639   0.0000   0.0000   14.653   7.2639  ?   ?    68.711   18.950      ?      ? 
1 1 1   21   29   13 o  149.724   9.9550   62.525   8.0541   0.0000   0.0000   62.525   8.0541  ?   ?   149.724   9.9550      ?      ? 
1 1 1   21   29   14 o   97.260   14.639   27.426   7.6934   0.0000   0.0000   27.426   7.6934  ?   ?    97.260   14.639      ?      ? 
1 1 1   21   29   15 o  103.459   13.662   30.810   7.6379   0.0000   0.0000   30.810   7.6379  ?   ?   103.459   13.662      ?      ? 
1 1 1   21   29   16 o   47.327   18.697   4.8709   7.0693   0.0000   0.0000   4.8709   7.0693  ?   ?    47.327   18.697      ?      ? 
1 1 1   21   29   17 o   38.014   17.047  -1.7292   7.2536   0.0000   0.0000  -1.7292   7.2536  ?   ?    38.014   17.047      ?      ? 
1 1 1   21   29   18 o  116.243   12.167   38.609   7.6428   0.0000   0.0000   38.609   7.6428  ?   ?   116.243   12.167      ?      ? 
1 1 1   21   29   19 o   48.807   18.779   6.1242   6.9793   0.0000   0.0000   6.1242   6.9793  ?   ?    48.807   18.779      ?      ? 
1 1 1   21   29   20 o  175.537   10.527   87.404   9.9857   0.0000   0.0000   87.404   9.9857  ?   ?   175.537   10.527      ?      ? 
1 1 1   21   29   21 o  121.831   11.674   42.467   7.6851   0.0000   0.0000   42.467   7.6851  ?   ?   121.831   11.674      ?      ? 
1 1 1   21   29   22 o  149.386   9.9367   62.768   8.0213   0.0000   0.0000   62.768   8.0213  ?   ?   149.386   9.9367      ?      ? 
1 1 1   21   29   23 o  122.303   18.434   45.998   12.183   0.0000   0.0000   45.998   12.183  ?   ?   122.303   18.434      ?      ? 
1 1 1   21   29   24 f   66.579   18.998   14.309   7.1713   0.0000   0.0000   14.309   7.1713  ?   ?    66.579   18.998      ?      ? 
1 1 1   21   29   25 o   40.665   18.009   0.2618   7.8364   0.0000   0.0000   0.2618   7.8364  ?   ?    40.665   18.009      ?      ? 
1 1 1   21   29   26 o   76.038   18.704   19.863   7.6323   0.0000   0.0000   19.863   7.6323  ?   ?    76.038   18.704      ?      ? 
1 1 1   21   29   27 o   63.391   19.191   13.821   7.1381   0.0000   0.0000   13.821   7.1381  ?   ?    63.391   19.191      ?      ? 
1 1 1   21   29   28 o   49.822   18.971   7.2738   7.0759   0.0000   0.0000   7.2738   7.0759  ?   ?    49.822   18.971      ?      ? 
1 1 1   21   29   29 o   30.756   14.700  -6.6198   6.8806   0.0000   0.0000  -6.6198   6.8806  ?   ?    30.756   14.700      ?      ? 
1 1 1   21   29   30 o   84.399   16.514   23.541   7.2617   0.0000   0.0000   23.541   7.2617  ?   ?    84.399   16.514      ?      ? 
1 1 1   21   30    0 o  114.602   12.540   38.789   7.7512   36.106   10.603   41.868   11.359  110.334   17.785  118.871   17.684 -8.537399 25.08045 
1 1 1   21   30    1 o   85.654   15.409   22.488   7.4002   13.884   9.7312   34.288   11.396   66.845   22.633  104.463   20.917 -37.61865 30.81893 
1 1 1   21   30    2 o  145.440   11.007   63.344   8.2441   81.771   11.477   43.697   11.850  169.825   12.506  121.055   18.116 48.76990 22.01328 
1 1 1   21   30    3 o   89.274   15.524   26.299   7.5959   32.230   10.322   19.293   11.218  102.005   19.437   76.543   24.213 25.46189 31.04891 
1 1 1   21   30    4 o   53.495   15.523   5.5346   7.0851   5.5662   9.1669   5.4878   11.166   52.073   21.047   54.917   22.823 -2.844208 31.04607 
1 1 1   21   30    5 o  203.226   8.1015  118.441   8.6881  105.158   13.314  128.292   11.466  192.045   12.830  214.408   9.8963 -22.36301 16.20305 
1 1 1   21   30    6 o   41.086   13.283  -3.4336   6.4732  -6.9189   10.805  -1.4825   8.0845   41.665   19.453   40.508   18.093 1.157391 26.56647 
1 1 1   21   30    7 o  154.516   9.3925   67.086   7.6061   74.189   12.603   63.016   9.5392  159.901   14.586  149.132   11.837 10.76860 18.78492 
1 1 1   21   30    8 o   61.391   20.946   11.573   8.3354   0.0000   0.0000   11.573   8.3354  ?   ?    61.391   20.946      ?      ? 
1 1 1   21   30    9 o  107.825   22.338   37.736   12.587   0.0000   0.0000   37.736   12.587  ?   ?   107.825   22.338      ?      ? 
1 1 1   21   30   10 f   75.246   25.123   19.070   11.988   0.0000   0.0000   19.070   11.988  ?   ?    75.246   25.123      ?      ? 
1 1 1   21   30   11 o   39.570   18.683  -8.4797   10.462   0.0000   0.0000  -8.4797   10.462  ?   ?    39.570   18.683      ?      ? 
1 1 1   21   30   12 o   64.897   23.831   13.212   10.960   0.0000   0.0000   13.212   10.960  ?   ?    64.897   23.831      ?      ? 
1 1 1   21   30   13 o   62.641   23.783   12.081   11.101   0.0000   0.0000   12.081   11.101  ?   ?    62.641   23.783      ?      ? 
1 1 1   21   30   14 o   65.260   21.591   14.105   8.8614   0.0000   0.0000   14.105   8.8614  ?   ?    65.260   21.591      ?      ? 
1 1 1   21   30   15 o   84.187   17.736   22.419   7.8138   0.0000   0.0000   22.419   7.8138  ?   ?    84.187   17.736      ?      ? 
1 1 1   21   30   16 o   51.440   19.686   7.1373   7.6438   0.0000   0.0000   7.1373   7.6438  ?   ?    51.440   19.686      ?      ? 
1 1 1   21   30   17 o   47.166   19.097   4.6305   7.5613   0.0000   0.0000   4.6305   7.5613  ?   ?    47.166   19.097      ?      ? 
1 1 1   21   30   18 o   73.489   19.418   17.438   7.8268   0.0000   0.0000   17.438   7.8268  ?   ?    73.489   19.418      ?      ? 
1 1 1   21   30   19 o  126.845   11.585   45.854   7.9405   0.0000   0.0000   45.854   7.9405  ?   ?   126.845   11.585      ?      ? 
1 1 1   21   30   20 o   53.021   19.256   8.2401   7.1271   0.0000   0.0000   8.2401   7.1271  ?   ?    53.021   19.256      ?      ? 
1 1 1   21   30   21 o   65.303   19.445   14.329   7.3729   0.0000   0.0000   14.329   7.3729  ?   ?    65.303   19.445      ?      ? 
1 1 1   21   30   22 o  150.194   9.7561   64.777   7.9180   0.0000   0.0000   64.777   7.9180  ?   ?   150.194   9.7561      ?      ? 
1 1 1   21   30   23 o   50.542   18.989   8.0214   7.0328   0.0000   0.0000   8.0214   7.0328  ?   ?    50.542   18.989      ?      ? 
1 1 1   21   30   24 o   38.930   17.209   0.3094   7.1253   0.0000   0.0000   0.3094   7.1253  ?   ?    38.930   17.209      ?      ? 
1 1 1   21   30   25 o   42.171   17.930   2.7794   7.1407   0.0000   0.0000   2.7794   7.1407  ?   ?    42.171   17.930      ?      ? 
1 1 1   21   30   26 o   37.936   17.675  -3.3362   8.8472   0.0000   0.0000  -3.3362   8.8472  ?   ?    37.936   17.675      ?      ? 
1 1 1   21   30   27 o   57.528   19.803   11.926   7.4545   0.0000   0.0000   11.926   7.4545  ?   ?    57.528   19.803      ?      ? 
1 1 1   21   31    0 o   79.730   15.913   19.707   7.3803   11.963   9.4822   31.606   11.755   62.085   22.256   97.375   22.750 -35.28996 31.82576 
1 1 1   21   31    1 o  105.703   14.383   35.554   7.8512   34.078   10.371   37.535   12.017  104.012   19.157  107.394   21.458 -3.381805 28.76561 
1 1 1   21   31    2 o   60.539   15.184   10.343   7.3105   18.572   9.3262  -2.7713   11.774   74.678   21.772   46.400   21.170 28.27791 30.36772 
1 1 1   21   31    3 o   68.580   14.922   15.215   7.4142   25.610   9.6191   0.0010   11.637   88.617   20.496   48.542   21.693 40.07513 29.84408 
1 1 1   21   31    4 o   35.495   12.220 -14.4999   7.3640 -15.9884   9.7233 -12.4975   11.277   32.772   16.075   38.219   18.410 -5.446850 24.44067 
1 1 1   21   31    5 f   94.280   14.311   29.160   7.0091   26.757   11.361   30.637   8.9058   87.795   23.489  100.765   16.356 -12.97009 28.62218 
1 1 1   21   31    6 o  100.885   13.554   30.402   7.0974   47.320   11.506   20.011   9.0176  124.480   17.105   77.289   21.031 47.19075 27.10860 
1 1 1   21   31    7 o   33.244   16.063 -10.9988   8.7460   0.0000   0.0000 -10.9988   8.7460  ?   ?    33.244   16.063      ?      ? 
1 1 1   21   31    8 o   92.434   16.711   26.474   8.0394   0.0000   0.0000   26.474   8.0394  ?   ?    92.434   16.711      ?      ? 
1 1 1   21   31    9 o   57.499   20.213   10.251   7.7858   0.0000   0.0000   10.251   7.7858  ?   ?    57.499   20.213      ?      ? 
1 1 1   21   31   10 o   68.790   20.160   15.498   7.9774   0.0000   0.0000   15.498   7.9774  ?   ?    68.790   20.160      ?      ? 
1 1 1   21   31   11 o   35.100   16.558  -6.8085   8.1863   0.0000   0.0000  -6.8085   8.1863  ?   ?    35.100   16.558      ?      ? 
1 1 1   21   31   12 f   48.085   21.679  -1.0205   11.908   0.0000   0.0000  -1.0205   11.908  ?   ?    48.085   21.679      ?      ? 
1 1 1   21   31   13 o  105.529   15.720   33.112   8.9643   0.0000   0.0000   33.112   8.9643  ?   ?   105.529   15.720      ?      ? 
1 1 1   21   31   14 o   31.972   15.709 -16.1512   9.4106   0.0000   0.0000 -16.1512   9.4106  ?   ?    31.972   15.709      ?      ? 
1 1 1   21   31   15 o   43.196   20.052  -4.8044   11.223   0.0000   0.0000  -4.8044   11.223  ?   ?    43.196   20.052      ?      ? 
1 1 1   21   31   16 o   51.196   22.042   4.8335   11.041   0.0000   0.0000   4.8335   11.041  ?   ?    51.196   22.042      ?      ? 
1 1 1   21   31   17 o   37.959   18.307 -10.2419   11.232   0.0000   0.0000 -10.2419   11.232  ?   ?    37.959   18.307      ?      ? 
1 1 1   21   31   18 o   53.181   22.795   7.7539   11.711   0.0000   0.0000   7.7539   11.711  ?   ?    53.181   22.795      ?      ? 
1 1 1   21   31   19 o   62.209   24.574   14.014   12.210   0.0000   0.0000   14.014   12.210  ?   ?    62.209   24.574      ?      ? 
1 1 1   21   31   20 o   88.765   24.237   29.572   11.953   0.0000   0.0000   29.572   11.953  ?   ?    88.765   24.237      ?      ? 
1 1 1   21   31   21 o   51.209   22.397   5.0508   11.775   0.0000   0.0000   5.0508   11.775  ?   ?    51.209   22.397      ?      ? 
1 1 1   21   31   22 o   56.477   20.370   11.234   7.9560   0.0000   0.0000   11.234   7.9560  ?   ?    56.477   20.370      ?      ? 
1 1 1   21   31   23 o   90.596   17.917   27.898   8.4604   0.0000   0.0000   27.898   8.4604  ?   ?    90.596   17.917      ?      ? 
1 1 1   21   32    0 o   85.544   16.748   26.529   9.2817   39.144   12.246   9.5000   14.228  109.427   21.477   61.660   25.705 47.76790 33.49691 
1 1 1   21   32    1 o   78.737   18.168   20.776   8.6798   16.396   10.903   28.356   14.343   69.743   23.953   87.731   27.323 -17.98771 36.33604 
1 1 1   21   32    2 o   86.612   14.396   24.390   9.3423   48.573   12.469  -6.5608   14.106  125.749   18.350   47.476   22.186 78.27322 28.79136 
1 1 1   21   32    3 o   70.930   17.883   16.480   8.3162   14.442   10.264   20.374   14.188   66.344   23.215   75.515   27.208 -9.171333 35.76571 
1 1 1   21   32    4 o  127.021   12.291   48.904   8.4185   50.473   12.373   47.551   11.488  128.566   17.810  125.477   16.943 3.089096 24.58119 
1 1 1   21   32    5 f   42.145   13.774  -4.8960   7.3764  -1.8369   10.756  -7.6125   10.136   45.200   20.470   39.090   18.436 6.109894 27.54785 
1 1 1   21   32    6 o   62.378   17.408   9.6771   8.1881   5.3536   9.8760   19.185   14.645   51.598   21.456   73.158   27.418 -21.55936 34.81524 
1 1 1   21   32    7 o   43.004   20.177  -6.6476   11.866   0.0000   0.0000  -6.6476   11.866  ?   ?    43.004   20.177      ?      ? 
1 1 1   21   32    8 o   45.073   20.748  -2.9798   11.652   0.0000   0.0000  -2.9798   11.652  ?   ?    45.073   20.748      ?      ? 
1 1 1   21   32    9 o   44.252   20.416  -2.6341   11.373   0.0000   0.0000  -2.6341   11.373  ?   ?    44.252   20.416      ?      ? 
1 1 1   21   32   10 o   48.109   21.400   2.7873   11.186   0.0000   0.0000   2.7873   11.186  ?   ?    48.109   21.400      ?      ? 
1 1 1   21   32   11 o   51.738   22.417   6.4615   11.566   0.0000   0.0000   6.4615   11.566  ?   ?    51.738   22.417      ?      ? 
1 1 1   21   32   12 o  104.941   20.473   38.586   11.193   0.0000   0.0000   38.586   11.193  ?   ?   104.941   20.473      ?      ? 
1 1 1   21   32   13 o   51.807   21.814   6.8222   10.404   0.0000   0.0000   6.8222   10.404  ?   ?    51.807   21.814      ?      ? 
1 1 1   21   32   15 o   38.360   18.179  -6.8966   10.077   0.0000   0.0000  -6.8966   10.077  ?   ?    38.360   18.179      ?      ? 
1 1 1   21   32   16 o   74.361   22.232   20.460   9.6236   0.0000   0.0000   20.460   9.6236  ?   ?    74.361   22.232      ?      ? 
1 1 1   21   32   17 o   37.677   17.652  -4.1074   9.0281   0.0000   0.0000  -4.1074   9.0281  ?   ?    37.677   17.652      ?      ? 
1 1 1   21   32   18 o   36.185   17.251  -6.5194   9.3520   0.0000   0.0000  -6.5194   9.3520  ?   ?    36.185   17.251      ?      ? 
1 1 1   21   33    0 o   43.951   20.348  -2.0961   11.443   0.0000   0.0000  -2.0961   11.443  ?   ?    43.951   20.348      ?      ? 
1 1 1   21   33    2 o   48.667   15.121   3.0439   7.8845   7.4167   10.564  -2.4559   11.847   52.765   22.086   44.569   20.659 8.195759 30.24220 
1 1 1   21   33    3 o  114.616   13.079   44.521   7.4409   33.761   11.441   52.408   9.7953   97.177   22.266  132.055   13.727 -34.87882 26.15742 
1 1 1   21   33    4 o   83.995   15.912   25.340   7.3341   28.198   11.061   23.097   9.7974   87.808   23.028   80.182   21.964 7.626823 31.82313 
1 1 1   21   33    5 o   50.702   14.043   0.8609   6.6677   17.509   10.243 -11.3826   8.7837   68.893   23.221   32.511   15.800 36.38184 28.08654 
1 1 1   21   33    6 o   45.553   19.345   3.6681   8.2945   0.0000   0.0000   3.6681   8.2945  ?   ?    45.553   19.345      ?      ? 
1 1 1   21   33    7 o   92.819   16.870   27.602   8.1498   0.0000   0.0000   27.602   8.1498  ?   ?    92.819   16.870      ?      ? 
1 1 1   21   33    8 o   84.268   19.402   24.196   8.6520   0.0000   0.0000   24.196   8.6520  ?   ?    84.268   19.402      ?      ? 
1 1 1   21   33    9 f   60.814   20.509   13.142   7.9902   0.0000   0.0000   13.142   7.9902  ?   ?    60.814   20.509      ?      ? 
1 1 1   21   33   10 f   38.438   17.509  -1.1137   8.0125   0.0000   0.0000  -1.1137   8.0125  ?   ?    38.438   17.509      ?      ? 
1 1 1   21   33   11 o   55.881   20.468   11.092   8.0771   0.0000   0.0000   11.092   8.0771  ?   ?    55.881   20.468      ?      ? 
1 1 1   21   33   12 o   76.876   19.996   21.414   8.3853   0.0000   0.0000   21.414   8.3853  ?   ?    76.876   19.996      ?      ? 
1 1 1   22    0    0 o  119.244   5.0201   38.832   4.5374   38.832   4.5374   38.832   4.5374  119.244   7.0995  119.244   7.0995 0.000000 0.000000 
1 1 1   22    0    1 o  293.691   6.4104  233.784   14.356  233.784   14.356  233.784   14.356  293.691   9.0656  293.691   9.0656 0.000000 0.000000 
1 1 1   22    0    2 o   30.506   12.514   3.0473   4.7726   3.0473   4.7726   3.0473   4.7726   30.506   17.698   30.506   17.698 0.000000 0.000000 
1 1 1   22    0    3 o  1410.08   23.857  5405.40  256.743  5405.40  256.743  5405.40  256.743  1410.08   33.739  1410.08   33.739 0.000000 0.000000 
1 1 1   22    0    4 o  547.510   9.9415  812.162   41.533  812.162   41.533  812.162   41.533  547.510   14.059  547.510   14.059 0.000000 0.000000 
1 1 1   22    0    5 o  634.286   7.9147  1088.57   38.337  1088.57   38.337  1088.57   38.337  634.286   11.193  634.286   11.193 0.000000 0.000000 
1 1 1   22    0    6 o  298.188   4.6464  240.630   10.576  240.630   10.576  240.630   10.576  298.188   6.5709  298.188   6.5709 0.000000 0.000000 
1 1 1   22    0    7 o  365.618   5.1866  361.692   14.478  361.692   14.478  361.692   14.478  365.618   7.3349  365.618   7.3349 0.000000 0.000000 
1 1 1   22    0    9 o  1377.98   16.443  5146.83  173.043  5146.83  173.043  5146.83  173.043  1377.98   23.254  1377.98   23.254 0.000000 0.000000 
1 1 1   22    0   11 o  721.740   8.9029  1409.68   49.070  1409.68   49.070  1409.68   49.070  721.740   12.591  721.740   12.591 0.000000 0.000000 
1 1 1   22    0   12 o  173.465   4.4478   81.633   5.8784   81.633   5.8784   81.633   5.8784  173.465   6.2901  173.465   6.2901 0.000000 0.000000 
1 1 1   22    0   14 o  387.769   5.5092  406.872   16.311  406.872   16.311  406.872   16.311  387.769   7.7912  387.769   7.7912 0.000000 0.000000 
1 1 1   22    0   15 o  879.873   10.703  2096.04   71.916  2096.04   71.916  2096.04   71.916  879.873   15.136  879.873   15.136 0.000000 0.000000 
1 1 1   22    0   16 o   19.176   9.2327  -2.4255   4.1476  -2.4255   4.1476  -2.4255   4.1476   19.176   13.057   19.176   13.057 0.000000 0.000000 
1 1 1   22    0   17 o  867.556   10.569  2038.09   70.024  2038.09   70.024  2038.09   70.024  867.556   14.947  867.556   14.947 0.000000 0.000000 
1 1 1   22    0   18 o  656.239   8.1696  1165.56   40.941  1165.56   40.941  1165.56   40.941  656.239   11.554  656.239   11.554 0.000000 0.000000 
1 1 1   22    0   20 o  183.126   4.6223   90.976   6.4500   90.976   6.4500   90.976   6.4500  183.126   6.5370  183.126   6.5370 0.000000 0.000000 
1 1 1   22    0   21 o  760.630   9.3783  1566.45   54.476  1566.45   54.476  1566.45   54.476  760.630   13.263  760.630   13.263 0.000000 0.000000 
1 1 1   22    0   22 o  206.969   4.6973  116.128   7.4121  116.128   7.4121  116.128   7.4121  206.969   6.6430  206.969   6.6430 0.000000 0.000000 
1 1 1   22    0   23 o  599.488   7.6163  972.735   34.866  972.735   34.866  972.735   34.866  599.488   10.771  599.488   10.771 0.000000 0.000000 
1 1 1   22    0   24 o  122.640   5.9343   41.229   5.5019   41.229   5.5019   41.229   5.5019  122.640   8.3923  122.640   8.3923 0.000000 0.000000 
1 1 1   22    0   25 o  787.142   9.6645  1678.38   58.095  1678.38   58.095  1678.38   58.095  787.142   13.668  787.142   13.668 0.000000 0.000000 
1 1 1   22    0   26 o   64.504   11.888   13.315   5.0637   13.315   5.0637   13.315   5.0637   64.504   16.812   64.504   16.812 0.000000 0.000000 
1 1 1   22    0   27 o  314.211   5.0197  267.303   12.039  267.303   12.039  267.303   12.039  314.211   7.0989  314.211   7.0989 0.000000 0.000000 
1 1 1   22    0   30 o  356.368   5.4001  343.894   14.691  343.894   14.691  343.894   14.691  356.368   7.6369  356.368   7.6369 0.000000 0.000000 
1 1 1   22    0   32 o   88.835   8.6636   22.564   5.5628   22.564   5.5628   22.564   5.5628   88.835   12.252   88.835   12.252 0.000000 0.000000 
1 1 1   22    0   33 o   94.501   6.0991   24.764   4.3202   24.764   4.3202   24.764   4.3202   94.501   8.6254   94.501   8.6254 0.000000 0.000000 
1 1 1   22    0   34 o  285.243   4.6187  220.406   10.056  220.406   10.056  220.406   10.056  285.243   6.5319  285.243   6.5319 0.000000 0.000000 
1 1 1   22    0   36 o   82.298   7.3102   19.207   4.4007   19.207   4.4007   19.207   4.4007   82.298   10.338   82.298   10.338 0.000000 0.000000 
1 1 1   22    0   37 o  512.292   6.6702  711.906   26.093  711.906   26.093  711.906   26.093  512.292   9.4331  512.292   9.4331 0.000000 0.000000 
1 1 1   22    0   38 o  125.600   5.2510   43.158   4.9997   43.158   4.9997   43.158   4.9997  125.600   7.4261  125.600   7.4261 0.000000 0.000000 
1 1 1   22    0   39 o  211.064   4.5040  120.910   7.2497  120.910   7.2497  120.910   7.2497  211.064   6.3696  211.064   6.3696 0.000000 0.000000 
1 1 1   22    0   40 o   40.097   12.855   6.3834   4.2514   6.3834   4.2514   6.3834   4.2514   40.097   18.180   40.097   18.180 0.000000 0.000000 
1 1 1   22    0   41 o  146.040   4.9230   58.163   5.4658   58.163   5.4658   58.163   5.4658  146.040   6.9622  146.040   6.9622 0.000000 0.000000 
1 1 1   22    0   42 f   20.772   9.8193  -1.4536   4.2973  -1.4536   4.2973  -1.4536   4.2973   20.772   13.887   20.772   13.887 0.000000 0.000000 
1 1 1   22    0   43 o  310.219   4.9285  261.277   11.671  261.277   11.671  261.277   11.671  310.219   6.9700  310.219   6.9700 0.000000 0.000000 
1 1 1   22    0   44 o  289.672   4.8205  227.871   10.658  227.871   10.658  227.871   10.658  289.672   6.8173  289.672   6.8173 0.000000 0.000000 
1 1 1   22    0   45 o   84.602   7.7544   20.474   4.7811   20.474   4.7811   20.474   4.7811   84.602   10.966   84.602   10.966 0.000000 0.000000 
1 1 1   22    0   46 o   90.461   7.4135   23.199   4.9455   23.199   4.9455   23.199   4.9455   90.461   10.484   90.461   10.484 0.000000 0.000000 
1 1 1   22    0   47 o  114.711   6.0744   36.416   5.2563   36.416   5.2563   36.416   5.2563  114.711   8.5906  114.711   8.5906 0.000000 0.000000 
1 1 1   22    0   48 o   29.222   13.133   1.0532   6.4053   1.0532   6.4053   1.0532   6.4053   29.222   18.573   29.222   18.573 0.000000 0.000000 
1 1 1   22    0   51 o   26.715   12.823  -3.4617   7.8790  -3.4617   7.8790  -3.4617   7.8790   26.715   18.135   26.715   18.135 0.000000 0.000000 
1 1 1   22    0   52 o   78.858   10.118   18.792   5.5021   18.792   5.5021   18.792   5.5021   78.858   14.309   78.858   14.309 0.000000 0.000000 
1 1 1   22    0   53 f   43.339   14.251   7.8516   5.2388   7.8516   5.2388   7.8516   5.2388   43.339   20.154   43.339   20.154 0.000000 0.000000 
1 1 1   22    0   54 o  201.774   5.0788  111.468   7.8087  111.468   7.8087  111.468   7.8087  201.774   7.1825  201.774   7.1825 0.000000 0.000000 
1 1 1   22    0   55 o  263.466   5.1055  190.155   10.262  190.155   10.262  190.155   10.262  263.466   7.2203  263.466   7.2203 0.000000 0.000000 
1 1 1   22    0   57 f  217.064   5.4931  129.761   9.0855  129.761   9.0855  129.761   9.0855  217.064   7.7685  217.064   7.7685 0.000000 0.000000 
1 1 1   22    0   58 o  194.865   5.6162  105.090   8.3318  105.090   8.3318  105.090   8.3318  194.865   7.9425  194.865   7.9425 0.000000 0.000000 
1 1 1   22    0   59 o   34.844   14.206   5.2015   6.0915   5.2015   6.0915   5.2015   6.0915   34.844   20.090   34.844   20.090 0.000000 0.000000 
1 1 1   22    1    0 o  1159.32   17.039  3646.59  100.598  3644.44  123.169  3650.90  174.348  1159.68   19.655  1158.96   27.839 0.7121582 34.07866 
1 1 1   22    1    1 o  255.037   5.3519  176.286   7.0167  177.357   8.6895  174.279   11.895  256.171   6.2773  253.902   8.6699 2.268127 10.70387 
1 1 1   22    1    2 o  1209.91   20.462  3968.12  133.781   0.0000   0.0000  3968.12  133.781  ?   ?   1209.91   20.462      ?      ? 
1 1 1   22    1    3 o  481.934   8.8746  627.919   23.111   0.0000   0.0000  627.919   23.111  ?   ?   481.934   8.8746      ?      ? 
1 1 1   22    1    4 o  307.991   5.7685  254.194   9.0042  250.102   10.930  262.838   15.884  304.195   6.6492  311.788   9.4281 -7.592712 11.53700 
1 1 1   22    1    5 o  291.187   6.5009  229.168   10.229   0.0000   0.0000  229.168   10.229  ?   ?   291.187   6.5009      ?      ? 
1 1 1   22    1    6 o  757.288   9.2785  1550.35   37.943  1516.56   52.504  1587.28   54.895  748.671   12.978  765.904   13.264 -17.23297 18.55697 
1 1 1   22    1    7 o  444.281   5.9094  533.612   14.187  530.450   20.013  536.807   20.113  442.958   8.3612  445.604   8.3530 -2.646393 11.81871 
1 1 1   22    1    8 o  509.684   6.5808  702.258   18.121  709.267   25.937  695.575   25.327  512.165   9.3719  507.203   9.2409 4.962280 13.16156 
1 1 1   22    1    9 o  245.723   6.1244  163.190   8.1320   0.0000   0.0000  163.190   8.1320  ?   ?   245.723   6.1244      ?      ? 
1 1 1   22    1   10 o  304.466   4.7270  250.533   7.7762  252.123   11.094  248.997   10.903  305.415   6.7221  303.517   6.6477 1.897980 9.454056 
1 1 1   22    1   11 o  917.530   11.118  2278.93   55.112  2250.38   77.010  2308.90   78.906  911.653   15.633  923.407   15.813 -11.75464 22.23604 
1 1 1   22    1   12 o   80.313   6.7180   17.420   2.9108   17.091   3.9881   17.795   4.2580   79.505   9.2830   81.121   9.7136 -1.616226 13.43610 
1 1 1   22    1   13 o  712.286   8.7938  1372.52   33.842  1385.76   48.335  1359.78   47.399  715.652   12.499  708.920   12.373 6.731934 17.58759 
1 1 1   22    1   14 o  1180.99   14.172  3783.04   90.440  3765.42  127.385  3800.94  128.426  1178.23   20.008  1183.76   20.077 -5.527710 28.34441 
1 1 1   22    1   15 o  720.580   8.9022  1405.17   34.662  1411.38   49.257  1399.07   48.786  722.155   12.623  719.004   12.557 3.150818 17.80446 
1 1 1   22    1   16 o  196.539   6.7073  104.419   7.1234   0.0000   0.0000  104.419   7.1234  ?   ?   196.539   6.7073      ?      ? 
1 1 1   22    1   17 f  156.063   5.0126   65.641   4.2043   63.981   5.6286   67.736   6.3236  153.842   6.7707  158.284   7.3933 -4.441895 10.02513 
1 1 1   22    1   18 o  653.413   8.1480  1155.32   28.768  1165.04   40.888  1145.79   40.484  656.135   11.532  650.691   11.514 5.443481 16.29608 
1 1 1   22    1   19 o  977.016   11.812  2586.39   62.341  2633.64   89.565  2542.00   86.825  985.644   16.816  968.388   16.592 17.25635 23.62400 
1 1 1   22    1   20 o  973.038   11.799  2565.75   62.012  2610.55   89.224  2523.88   86.247  981.222   16.828  964.854   16.542 16.36853 23.59713 
1 1 1   22    1   21 o  438.870   5.9275  520.628   14.045  514.891   19.419  526.921   20.338  436.344   8.2358  441.397   8.5270 -5.053223 11.85493 
1 1 1   22    1   22 o  752.859   9.2649  1534.80   37.689  1551.68   53.684  1518.39   52.924  756.938   13.125  748.780   13.080 8.157898 18.52982 
1 1 1   22    1   23 o  343.556   5.1572  319.384   9.5662  327.128   13.367  311.252   13.696  347.835   7.1117  339.277   7.4707 8.558014 10.31438 
1 1 1   22    1   24 o  266.820   6.9431  192.507   10.011   0.0000   0.0000  192.507   10.011  ?   ?   266.820   6.9431      ?      ? 
1 1 1   22    1   25 o  409.907   5.7037  454.586   12.630  457.929   17.677  451.100   18.051  411.453   7.9504  408.360   8.1804 3.093018 11.40740 
1 1 1   22    1   26 o  180.892   6.4215   88.477   6.2769   88.477   6.2769   0.0000   0.0000  180.892   6.4215  ?   ?       ?      ? 
1 1 1   22    1   28 o  469.625   6.3015  597.101   15.986  596.905   22.333  597.306   22.894  469.558   8.8017  469.692   9.0203 -0.1341553 12.60299 
1 1 1   22    1   29 o  341.854   5.2549  315.986   9.6917  312.184   13.300  320.290   14.151  339.676   7.2462  344.032   7.6123 -4.356018 10.50975 
1 1 1   22    1   32 o   91.731   8.1951   22.336   3.9978   20.112   5.1293   25.778   6.3811   86.069   11.029   97.394   12.125 -11.32481 16.39029 
1 1 1   22    1   35 o  260.360   4.5073  183.592   6.3400  183.910   8.8799  183.261   9.0548  260.596   6.3060  260.123   6.4419 0.4730530 9.014609 
1 1 1   22    1   36 o   47.766   9.0530   5.8966   2.8331   11.339   3.9633   0.2098   4.0514   63.470   11.995   32.062   13.562 31.40874 18.10608 
1 1 1   22    1   37 o  157.353   4.6741   67.168   3.9690   68.963   5.5214   65.249   5.7094  159.545   6.4044  155.161   6.8096 4.383545 9.348141 
1 1 1   22    1   38 o  100.796   5.9842   27.566   3.2561   26.786   4.4847   28.435   4.7353   99.298   8.3581  102.293   8.5666 -2.995430 11.96846 
1 1 1   22    1   39 o  186.871   4.4821   94.511   4.5187  102.412   6.5366   87.279   6.2536  194.350   6.2241  179.393   6.4512 14.95688 8.964230 
1 1 1   22    1   40 o  155.315   4.7356   65.582   3.9660   69.929   5.5785   61.140   5.6394  160.555   6.4299  150.076   6.9540 10.47942 9.471111 
1 1 1   22    1   41 o  101.785   6.0790   28.430   3.3136   32.204   4.6341   24.481   4.7401  108.814   7.8811   94.755   9.2576 14.05905 12.15792 
1 1 1   22    1   42 o  272.407   4.6772  201.385   6.8811  210.208   9.9059  193.158   9.5657  278.172   6.5901  266.642   6.6390 11.53043 9.354423 
1 1 1   22    1   43 o  267.980   4.6827  194.876   6.7730  188.717   9.3092  201.802   9.8725  263.509   6.5377  272.450   6.7058 -8.940765 9.365354 
1 1 1   22    1   44 o  148.287   7.1973   59.871   5.7671   0.0000   0.0000   59.871   5.7671  ?   ?   148.287   7.1973      ?      ? 
1 1 1   22    1   45 o   90.902   6.9780   22.731   3.4213   23.283   4.7343   22.127   4.9497   92.113   9.5115   89.691   10.213 2.421707 13.95593 
1 1 1   22    1   46 o  259.233   5.6384  179.966   7.5017  195.721   13.035  172.164   9.1732  267.110   9.0307  251.357   6.7537 15.75336 11.27679 
1 1 1   22    1   47 o  149.307   7.1189   61.555   5.7194   61.914   7.7570   61.126   8.4664  149.934   9.5742  148.679   10.538 1.255920 14.23785 
1 1 1   22    1   48 o  110.992   8.7413   34.307   5.2186   33.243   7.0081   35.631   7.8187  109.210   11.876  112.775   12.830 -3.564766 17.48265 
1 1 1   22    1   49 o  186.348   6.1218   91.257   5.7240   84.598   6.8119  107.252   10.558  175.837   7.1692  196.858   9.9251 -21.02072 12.24360 
1 1 1   22    1   50 o  219.362   5.9722  131.238   6.6529  128.783   8.0938  136.351   11.681  216.922   6.9050  221.801   9.7464 -4.879684 11.94449 
1 1 1   22    1   51 o   55.641   13.209   7.7605   5.3347   0.1449   7.6460   14.984   7.4467   41.743   18.156   69.538   19.190 -27.79513 26.41831 
1 1 1   22    1   52 o  181.320   7.4461   91.934   7.2829   88.153   10.457   95.495   10.149  177.483   10.904  185.158   10.144 -7.674240 14.89224 
1 1 1   22    1   53 o  117.696   6.8880   38.653   4.3779   38.893   6.3124   38.430   6.0769  117.987   9.9009  117.405   9.5787 0.5815582 13.77604 
1 1 1   22    1   54 o   31.970   10.111  -2.6157   3.7508  -6.4442   5.2687   1.3185   5.3409   26.815   12.829   37.124   15.631 -10.30936 20.22145 
1 1 1   22    1   55 o  100.177   7.8813   28.621   4.2659   28.382   5.9824   28.867   6.0848   99.776   11.096  100.578   11.196 -0.8019257 15.76261 
1 1 1   22    1   56 o  141.795   9.1449   56.175   7.0069   56.175   7.0069   0.0000   0.0000  141.795   9.1449  ?   ?       ?      ? 
1 1 1   22    1   57 o  169.699   5.9468   80.675   5.4519   83.067   7.7955   78.385   7.6275  172.183   8.3785  167.215   8.4415 4.968216 11.89363 
1 1 1   22    1   58 o  208.277   5.4471  121.448   6.1302  122.760   8.7165  120.164   8.6231  209.390   7.7037  207.165   7.7030 2.224960 10.89414 
1 1 1   22    1   59 o  219.782   5.4280  135.596   6.4442  138.912   9.2628  132.485   8.9712  222.348   7.7094  217.215   7.6431 5.132828 10.85601 
1 1 1   22    2    0 o  244.283   5.3279  162.529   6.6964  165.423   8.3266  157.230   11.267  247.402   6.2284  241.164   8.6460 6.238159 10.65583 
1 1 1   22    2    1 o  520.862   6.7127  732.925   18.880  748.443   27.320  718.739   26.121  526.130   9.6095  515.593   9.3754 10.53723 13.42542 
1 1 1   22    2    2 o  728.736   10.942  1455.42   41.361  1371.62   67.845  1504.98   52.178  711.627   17.643  745.844   12.946 -34.21667 21.88369 
1 1 1   22    2    3 o  459.609   7.3729  572.622   17.345  566.892   29.680  575.593   21.375  457.793   11.998  461.424   8.5728 -3.630920 14.74584 
1 1 1   22    2    4 o  442.479   5.9127  529.189   14.136  521.180   19.832  537.462   20.155  439.076   8.3585  445.882   8.3652 -6.805511 11.82547 
1 1 1   22    2    5 o  408.570   6.8038  450.110   14.186  447.569   17.379  455.180   24.554  406.900   7.9043  410.241   11.076 -3.341217 13.60755 
1 1 1   22    2    6 o  314.382   6.6945  267.141   11.373   0.0000   0.0000  267.141   11.373  ?   ?   314.382   6.6945      ?      ? 
1 1 1   22    2    7 o  623.543   7.8351  1050.75   26.388  1023.60   36.642  1079.99   38.032  615.187   11.023  631.899   11.138 -16.71136 15.67029 
1 1 1   22    2    8 o  202.296   5.9370  110.603   6.4900   0.0000   0.0000  110.603   6.4900  ?   ?   202.296   5.9370      ?      ? 
1 1 1   22    2    9 o  262.302   4.4961  186.077   6.3684  181.503   9.1011  190.466   8.9145  259.139   6.4994  265.465   6.2144 -6.325775 8.992290 
1 1 1   22    2   10 o  838.591   10.236  1901.94   46.358  1858.09   64.262  1949.53   66.939  828.533   14.353  848.649   14.597 -20.11615 20.47185 
1 1 1   22    2   11 o  663.399   8.2691  1190.52   29.643  1185.48   41.917  1195.56   41.925  661.993   11.718  664.804   11.671 -2.811157 16.53820 
1 1 1   22    2   12 o  701.766   8.6848  1332.12   32.929  1316.32   46.106  1348.56   47.046  697.524   12.232  706.007   12.332 -8.482056 17.36952 
1 1 1   22    2   13 o  612.210   7.7089  1013.68   25.501  1004.52   35.830  1023.09   36.302  609.409   10.881  615.012   10.923 -5.602722 15.41777 
1 1 1   22    2   14 o  270.046   4.6880  197.126   6.8406  195.445   9.6909  198.795   9.6572  268.898   6.6695  271.193   6.5900 -2.295654 9.376020 
1 1 1   22    2   15 o  824.764   10.079  1841.60   44.914  1858.98   64.157  1824.89   62.897  828.570   14.329  820.958   14.178 7.612793 20.15816 
1 1 1   22    2   16 o  293.862   6.8453  233.443   10.870   0.0000   0.0000  233.443   10.870  ?   ?   293.862   6.8453      ?      ? 
1 1 1   22    2   17 o  901.626   15.516  2202.83   75.598   0.0000   0.0000  2202.83   75.598  ?   ?   901.626   15.516      ?      ? 
1 1 1   22    2   18 o  366.265   7.1101  362.671   14.072  362.671   14.072   0.0000   0.0000  366.265   7.1101  ?   ?       ?      ? 
1 1 1   22    2   19 o  228.922   4.4179  143.359   5.3965  156.992   7.3180  127.107   7.9897  241.006   5.6192  216.838   6.8188 24.16815 8.835851 
1 1 1   22    2   21 o  401.039   7.5983  434.884   16.466  434.884   16.466   0.0000   0.0000  401.039   7.5983  ?   ?       ?      ? 
1 1 1   22    2   22 o  318.985   7.3633  275.118   12.692   0.0000   0.0000  275.118   12.692  ?   ?   318.985   7.3633      ?      ? 
1 1 1   22    2   23 o  627.829   11.030  1066.87   37.421  1066.87   37.421   0.0000   0.0000  627.829   11.030  ?   ?       ?      ? 
1 1 1   22    2   24 o  370.618   5.3386  371.933   10.678  387.888   14.975  355.427   15.231  378.725   7.3173  362.510   7.7756 16.21500 10.67722 
1 1 1   22    2   25 o  199.924   5.6631  108.054   6.1180  108.054   6.1180   0.0000   0.0000  199.924   5.6631  ?   ?       ?      ? 
1 1 1   22    2   26 o  366.400   5.3461  363.643   10.557  371.396   14.509  354.919   15.391  370.573   7.2455  362.227   7.8630 8.345673 10.69225 
1 1 1   22    2   28 f  390.452   7.5966  412.523   16.028  412.523   16.028   0.0000   0.0000  390.452   7.5966  ?   ?       ?      ? 
1 1 1   22    2   29 o  264.733   4.9036  190.586   6.9273  196.345   9.1830  182.980   10.552  269.428   6.3075  260.037   7.5098 9.391113 9.807185 
1 1 1   22    2   30 o  330.300   5.2158  295.485   9.2550  297.493   12.458  293.013   13.826  331.583   6.9529  329.017   7.7766 2.566284 10.43158 
1 1 1   22    2   32 o  135.633   6.2226   51.334   4.2753   54.514   5.2999   45.408   7.2344  141.907   6.9115  129.358   10.350 12.54837 12.44514 
1 1 1   22    2   33 o  280.655   4.5411  213.220   6.8851  213.685   9.6353  212.735   9.8422  280.974   6.3461  280.337   6.4971 0.6372681 9.082195 
1 1 1   22    2   34 o  344.501   5.0409  321.515   9.3828  324.457   13.202  318.512   13.338  346.102   7.0591  342.900   7.1981 3.202759 10.08189 
1 1 1   22    2   35 o  381.952   5.3819  395.542   11.107  396.097   15.589  394.970   15.828  382.236   7.5473  381.669   7.6746 0.5665894 10.76383 
1 1 1   22    2   36 o   48.048   8.1139   5.7901   2.8091   12.763   3.7816  -2.7954   4.1961   68.502   10.216   27.595   12.609 40.90771 16.22784 
1 1 1   22    2   37 o  292.002   6.5357  231.044   10.312  231.044   10.312   0.0000   0.0000  292.002   6.5357  ?   ?       ?      ? 
1 1 1   22    2   38 o  281.419   6.4615  214.692   9.8259  214.692   9.8259   0.0000   0.0000  281.419   6.4615  ?   ?       ?      ? 
1 1 1   22    2   39 o  151.230   4.7342   62.190   3.8595   65.108   5.3639   59.059   5.5575  154.942   6.4065  147.518   6.9719 7.424088 9.468401 
1 1 1   22    2   40 o  209.884   4.4643  119.074   5.0484  114.406   6.8343  124.680   7.4896  205.392   6.1577  214.375   6.4654 -8.983276 8.928560 
1 1 1   22    2   41 o   98.060   6.2411   26.239   3.2879   26.583   4.4352   25.819   4.8990   98.821   8.3056   97.298   9.3178 1.522682 12.48216 
1 1 1   22    2   42 o  271.722   4.6897  200.593   6.8835  207.839   9.7867  193.499   9.6835  276.597   6.5479  266.847   6.7156 9.750458 9.379407 
1 1 1   22    2   43 o  197.949   4.6166  105.957   4.9234   99.723   6.6549  113.495   7.3175  191.567   6.4289  204.331   6.6274 -12.76361 9.233231 
1 1 1   22    2   44 o   41.299   10.934   2.4843   3.5225   6.9257   5.3158  -0.9926   4.7033   50.516   16.723   32.082   14.090 18.43372 21.86762 
1 1 1   22    2   45 o  148.401   6.7215   60.664   5.3633   63.176   7.3302   57.770   7.8681  151.854   8.9331  144.948   10.046 6.906250 13.44292 
1 1 1   22    2   46 o  189.166   6.3279   98.270   6.4509  100.045   8.8545   96.261   9.4175  191.105   8.5744  187.227   9.3085 3.877640 12.65577 
1 1 1   22    2   47 o  207.909   5.6735  118.800   6.0499  119.702   7.4818  117.095   10.283  209.508   6.6087  206.309   9.2238 3.198898 11.34699 
1 1 1   22    2   48 o  292.222   4.9255  233.207   7.7770  237.239   11.072  229.279   10.926  294.721   6.9521  289.723   6.9792 4.998718 9.850937 
1 1 1   22    2   49 o  194.472   4.8949  103.446   5.1412  107.069   7.2601   99.802   7.2814  197.934   6.7879  191.011   7.0545 6.922043 9.789862 
1 1 1   22    2   50 o  178.999   5.0632   87.812   4.8941   88.567   6.8161   87.008   7.0316  179.844   7.0137  178.154   7.3042 1.689713 10.12639 
1 1 1   22    2   51 o   57.640   11.104   10.060   3.6903   13.158   5.0636   6.5507   5.3893   66.593   14.484   48.686   16.834 17.90741 22.20730 
1 1 1   22    2   52 o  193.612   7.4457  104.919   7.7704   99.730   11.189  109.752   10.799  188.707   10.973  198.518   10.067 -9.810196 14.89131 
1 1 1   22    2   53 o  251.982   7.3128  176.945   9.9243  190.811   14.789  165.586   13.386  260.775   10.495  243.189   10.186 17.58604 14.62560 
1 1 1   22    2   54 o  138.095   7.8037   52.029   5.5180   60.000   9.7259   48.246   6.7009  144.788   12.431  131.402   9.4372 13.38646 15.60745 
1 1 1   22    2   55 o   39.489   10.725   0.1255   4.0181   8.4314   5.6160  -8.5851   5.7512   52.513   17.180   26.464   12.844 26.04894 21.45008 
1 1 1   22    2   57 o   39.173   11.510   0.8766   4.3663   6.3394   6.2272  -4.4062   6.1238   47.317   17.849   31.029   14.538 16.28790 23.02058 
1 1 1   22    2   58 o   49.329   12.739   7.3311   4.4535   5.8406   6.2336   8.8848   6.3647   46.057   17.740   52.601   18.288 -6.544067 25.47861 
1 1 1   22    2   59 o   66.576   12.340   14.938   4.5625   11.704   6.3142   18.470   6.6000   58.424   18.118   74.728   16.758 -16.30401 24.67974 
1 1 1   22    3    0 o  757.894   9.3066  1554.08   38.114  1554.17   53.984  1554.00   53.820  757.913   13.181  757.875   13.142 0.3808594E-01 18.61324 
1 1 1   22    3    1 o  532.153   8.4331  769.800   22.865  754.505   39.389  777.573   28.081  528.043   13.804  536.263   9.6906 -8.219666 16.86624 
1 1 1   22    3    2 o  525.424   6.7810  744.677   19.224  714.847   26.328  778.747   28.137  514.184   9.4756  536.664   9.7025 -22.47968 13.56192 
1 1 1   22    3    3 f  847.789   10.319  1945.34   47.275  1937.94   66.737  1952.79   66.976  846.171   14.596  849.407   14.592 -3.236267 20.63876 
1 1 1   22    3    4 o  597.135   9.1238  974.204   28.213  930.856   46.638  999.223   35.432  586.429   14.718  607.840   10.787 -21.41046 18.24767 
1 1 1   22    3    5 o  881.946   10.726  2096.79   50.946  2003.41   68.743  2210.57   75.883  860.297   14.787  903.595   15.541 -43.29761 21.45216 
1 1 1   22    3    6 o  213.695   7.7948  123.446   9.0010   0.0000   0.0000  123.446   9.0010  ?   ?   213.695   7.7948      ?      ? 
1 1 1   22    3    7 o  415.348   5.6785  466.325   12.744  459.101   17.937  473.689   18.110  412.099   8.0550  418.597   8.0063 -6.497589 11.35706 
1 1 1   22    3    8 o  597.138   10.613  964.353   34.247   0.0000   0.0000  964.353   34.247  ?   ?   597.138   10.613      ?      ? 
1 1 1   22    3    9 f  530.120   6.8322  759.805   19.570  749.930   27.483  769.962   27.874  526.627   9.6576  533.614   9.6668 -6.986755 13.66438 
1 1 1   22    3   10 o  184.306   6.1019   91.808   6.0771   0.0000   0.0000   91.808   6.0771  ?   ?   184.306   6.1019      ?      ? 
1 1 1   22    3   11 o  220.809   4.4411  131.689   5.2929  133.586   7.6946  129.985   7.2922  222.316   6.4051  219.303   6.1536 3.013550 8.882125 
1 1 1   22    3   12 f  771.328   9.4818  1609.18   39.505  1578.05   54.949  1642.49   56.835  763.619   13.317  779.037   13.501 -15.41754 18.96355 
1 1 1   22    3   13 o  717.005   8.8754  1390.64   34.379  1369.23   48.003  1413.19   49.261  711.347   12.488  722.664   12.615 -11.31628 17.75072 
1 1 1   22    3   14 o  534.664   6.9175  772.467   19.975  753.345   27.707  793.162   28.824  527.784   9.7151  541.545   9.8501 -13.76080 13.83501 
1 1 1   22    3   15 o  414.097   8.1074  463.641   18.141   0.0000   0.0000  463.641   18.141  ?   ?   414.097   8.1074      ?      ? 
1 1 1   22    3   16 o  900.757   10.967  2198.48   53.381  2195.16   75.498  2201.80   75.487  900.075   15.523  901.439   15.497 -1.363770 21.93430 
1 1 1   22    3   17 o  563.246   7.2504  858.024   22.064  846.305   30.871  870.262   31.546  559.318   10.214  567.174   10.293 -7.855591 14.50072 
1 1 1   22    3   18 o  522.628   6.7435  736.595   18.977  714.480   25.620  763.477   28.246  513.981   9.2246  531.275   9.8390 -17.29468 13.48698 
1 1 1   22    3   19 o  422.437   7.8376  482.509   17.891  482.509   17.891   0.0000   0.0000  422.437   7.8376  ?   ?       ?      ? 
1 1 1   22    3   20 o  155.070   4.7269   64.719   3.4906   64.399   4.0630   65.621   6.8203  154.362   4.8710  155.777   8.1023 -1.414734 9.453803 
1 1 1   22    3   21 o  173.010   4.6481   81.989   3.8899   83.362   4.5952   78.515   7.3068  175.625   4.8421  170.396   7.9356 5.228638 9.296236 
1 1 1   22    3   22 o  326.164   7.5931  287.657   13.383   0.0000   0.0000  287.657   13.383  ?   ?   326.164   7.5931      ?      ? 
1 1 1   22    3   23 o  564.044   10.404  861.009   31.711   0.0000   0.0000  861.009   31.711  ?   ?   564.044   10.404      ?      ? 
1 1 1   22    3   25 o  275.737   7.4722  205.631   11.134   0.0000   0.0000  205.631   11.134  ?   ?   275.737   7.4722      ?      ? 
1 1 1   22    3   26 o  442.489   6.0232  530.258   14.388  551.760   20.226  508.228   20.472  451.596   8.2882  433.382   8.7420 18.21390 12.04644 
1 1 1   22    3   27 o   98.246   6.5114   22.666   2.5342   21.248   2.7294   31.528   6.8242   88.646   5.6980  107.845   11.710 -19.19907 13.02282 
1 1 1   22    3   30 o  230.983   4.8414  143.837   5.7631  142.632   7.1321  146.103   9.7826  229.645   5.7474  232.321   7.7925 -2.676498 9.682793 
1 1 1   22    3   31 o  393.416   8.5357  419.298   18.146   0.0000   0.0000  419.298   18.146  ?   ?   393.416   8.5357      ?      ? 
1 1 1   22    3   32 o   84.576   10.058   24.257   3.4859   27.858   4.0029   12.953   7.0920  101.429   7.3034   67.724   18.743 33.70506 20.11594 
1 1 1   22    3   33 o  284.682   4.5863  219.386   7.0497  219.280   9.7769  219.501   10.174  284.621   6.3569  284.743   6.6125 -0.1220093 9.172583 
1 1 1   22    3   34 o  412.765   5.6612  461.807   12.623  459.430   17.618  464.315   18.095  411.688   7.9196  413.841   8.0917 -2.152954 11.32234 
1 1 1   22    3   35 o  190.660   4.2838   98.396   4.4070   97.681   6.0604   99.197   6.4200  189.937   5.9048  191.383   6.2078 -1.446457 8.567626 
1 1 1   22    3   36 o  529.839   6.8567  762.786   19.624  753.577   27.324  772.597   28.202  526.568   9.6029  533.110   9.7899 -6.542053 13.71345 
1 1 1   22    3   37 o  137.682   4.8066   51.487   3.5591   52.527   4.8328   50.254   5.2611  139.229   6.4236  136.136   7.1518 3.092072 9.613116 
1 1 1   22    3   38 o  376.835   5.3700  385.400   10.930  382.086   15.195  388.953   15.733  375.181   7.4950  378.490   7.6924 -3.309204 10.74005 
1 1 1   22    3   39 o  299.270   4.7868  243.053   7.7364  244.025   10.770  242.016   11.120  299.911   6.6457  298.628   6.8912 1.283264 9.573564 
1 1 1   22    3   40 o  249.721   4.5537  169.264   6.1407  171.641   8.5662  166.752   8.8073  251.547   6.3021  247.895   6.5749 3.651550 9.107412 
1 1 1   22    3   41 o  146.671   5.4722   58.866   4.3059   54.797   6.3422   62.344   5.8648  141.872   8.2728  151.470   7.1653 -9.598419 10.94445 
1 1 1   22    3   42 o  159.634   6.0802   70.069   5.2019   76.374   7.1484   62.973   7.5841  167.447   7.9003  151.821   9.2445 15.62544 12.16043 
1 1 1   22    3   43 o  122.987   6.8395   41.400   4.5005   41.351   5.9609   41.464   6.8634  123.016   8.9673  122.958   10.330 0.5821991E-01 13.67906 
1 1 1   22    3   44 o   83.743   9.5689   20.107   4.1413   22.450   5.5826   17.239   6.1754   90.244   11.448   77.243   15.336 13.00092 19.13778 
1 1 1   22    3   45 o  298.208   5.9401  242.747   9.0402  241.589   11.086  245.045   15.619  297.760   6.8900  298.656   9.6781 -0.8963928 11.88012 
1 1 1   22    3   46 o   27.739   8.9498  -4.0332   3.0697  -7.2602   4.0944   0.1088   4.6387   21.898   10.675   33.580   14.368 -11.68185 17.89953 
1 1 1   22    3   47 o  233.799   4.6927  149.120   5.9258  155.104   8.4112  143.223   8.3498  238.493   6.5267  229.105   6.7446 9.388245 9.385458 
1 1 1   22    3   48 o   87.220   7.6052   21.251   3.5546   23.666   4.9420   18.662   5.1163   92.568   9.8799   81.871   11.565 10.69704 15.21041 
1 1 1   22    3   49 o  105.259   6.7773   30.844   3.8193   35.191   5.3651   26.377   5.4384  113.023   8.7846   97.496   10.323 15.52752 13.55468 
1 1 1   22    3   50 o  152.257   5.4023   63.735   4.4346   68.761   6.2798   58.736   6.2631  158.346   7.3392  146.168   7.9295 12.17827 10.80470 
1 1 1   22    3   51 o  192.896   5.0396  102.115   5.2478  103.468   7.2920  100.660   7.5582  194.296   6.9454  191.497   7.3042 2.798828 10.07917 
1 1 1   22    3   52 o   50.852   11.480   7.2546   3.8088   10.907   5.2934   3.3339   5.4847   60.110   16.010   41.594   16.457 18.51597 22.96012 
1 1 1   22    3   53 o  195.025   6.4234  103.311   6.2808   99.371   7.5243  112.365   11.406  189.994   7.3289  200.056   10.551 -10.06194 12.84685 
1 1 1   22    3   54 o  148.421   9.3401   62.223   7.1904   41.712   9.4938   89.820   11.012  119.151   14.745  177.691   11.469 -58.53953 18.68024 
1 1 1   22    3   55 o  184.559   8.3642   97.635   8.3414   97.658   11.759   97.613   11.834  184.618   11.787  184.501   11.870 0.1172180 16.72837 
1 1 1   22    3   56 o  127.410   9.9922   45.646   6.8795   45.646   6.8795   0.0000   0.0000  127.410   9.9922  ?   ?       ?      ? 
1 1 1   22    3   57 o  200.778   5.6338  113.109   6.1079  112.260   8.4674  114.030   8.8191  200.121   7.8302  201.435   8.1022 -1.314133 11.26753 
1 1 1   22    3   58 f   74.525   11.896   17.952   4.6763   17.801   6.5487   18.110   6.6799   74.269   16.721   74.782   16.925 -0.5122528 23.79156 
1 1 1   22    3   59 o  201.309   5.7637  114.616   6.2673  112.258   8.7160  117.139   9.0185  199.229   8.0961  203.390   8.2057 -4.161285 11.52736 
1 1 1   22    4    0 o  695.087   17.150  1308.56   64.416   0.0000   0.0000  1308.56   64.416  ?   ?   695.087   17.150      ?      ? 
1 1 1   22    4    1 o  267.977   6.2994  192.910   9.0815  207.027   13.647  181.689   12.166  276.715   9.1268  259.238   8.6851 17.47742 12.59877 
1 1 1   22    4    2 o  916.894   11.128  2270.77   55.030  2193.15   75.106  2360.73   80.861  900.053   15.442  933.734   16.026 -33.68097 22.25551 
1 1 1   22    4    3 o  769.774   9.4519  1602.14   39.294  1566.69   54.475  1640.59   56.735  760.914   13.249  778.634   13.484 -17.71948 18.90382 
1 1 1   22    4    4 o  524.002   8.2523  739.205   21.926  752.928   38.503  732.619   26.673  527.479   13.508  520.524   9.4830 6.954590 16.50459 
1 1 1   22    4    5 o  629.511   9.5762  1081.76   31.163  1039.64   51.799  1105.66   39.013  619.670   15.469  639.353   11.292 -19.68286 19.15245 
1 1 1   22    4    6 o  748.412   11.309  1498.93   42.578  1468.96   51.297  1565.31   76.341  736.818   12.884  760.006   18.589 -23.18719 22.61719 
1 1 1   22    4    7 o  1311.01   19.237  4666.49  128.244  4651.96  156.708  4695.95  223.150  1309.35   22.149  1312.67   31.460 -3.316406 38.47423 
1 1 1   22    4    8 o  643.486   8.0546  1120.04   28.006  1119.90   39.742  1120.18   39.474  643.443   11.430  643.529   11.352 -0.8544922E-01 16.10910 
1 1 1   22    4    9 o  662.533   8.2677  1187.38   29.597  1189.31   42.110  1185.50   41.608  663.060   11.753  662.006   11.631 1.054443 16.53538 
1 1 1   22    4   10 o  633.402   7.9568  1085.16   27.233  1076.61   38.391  1093.82   38.637  630.890   11.261  635.914   11.244 -5.024353 15.91363 
1 1 1   22    4   11 o  866.032   10.571  2026.69   49.405  1960.39   67.757  2101.95   72.191  850.964   14.735  881.100   15.162 -30.13617 21.14297 
1 1 1   22    4   12 f  592.474   10.595  949.433   33.920   0.0000   0.0000  949.433   33.920  ?   ?   592.474   10.595      ?      ? 
1 1 1   22    4   13 o  575.950   7.3631  895.258   22.883  861.525   31.361  933.671   33.466  564.380   10.283  587.520   10.541 -23.14026 14.72620 
1 1 1   22    4   14 o  524.391   6.8331  743.739   19.362  738.929   27.408  748.532   27.357  522.696   9.7036  526.086   9.6232 -3.389954 13.66623 
1 1 1   22    4   15 o  351.751   5.3094  333.638   10.063  345.577   14.904  323.633   13.642  357.513   7.7145  345.989   7.2970 11.52448 10.61884 
1 1 1   22    4   16 o  269.830   4.8029  196.790   6.9994  188.192   9.8237  205.655   9.9753  263.843   6.8904  275.818   6.6929 -11.97440 9.605876 
1 1 1   22    4   17 o  424.557   5.9170  486.699   13.564  469.268   18.736  505.896   19.662  416.583   8.3232  432.531   8.4125 -15.94855 11.83407 
1 1 1   22    4   18 o  178.196   4.8767   85.817   4.6958   85.817   4.6958   0.0000   0.0000  178.196   4.8767  ?   ?       ?      ? 
1 1 1   22    4   19 o  257.624   7.3929  179.445   10.292   0.0000   0.0000  179.445   10.292  ?   ?   257.624   7.3929      ?      ? 
1 1 1   22    4   20 o  142.298   9.5657   54.777   7.3553   0.0000   0.0000   54.777   7.3553  ?   ?   142.298   9.5657      ?      ? 
1 1 1   22    4   21 o  256.922   7.5148  178.482   10.433   0.0000   0.0000  178.482   10.433  ?   ?   256.922   7.5148      ?      ? 
1 1 1   22    4   26 o  220.905   7.9543  132.027   9.4950   0.0000   0.0000  132.027   9.4950  ?   ?   220.905   7.9543      ?      ? 
1 1 1   22    4   27 f  432.410   8.8842  506.201   20.759   0.0000   0.0000  506.201   20.759  ?   ?   432.410   8.8842      ?      ? 
1 1 1   22    4   28 o  407.958   8.6325  450.571   19.030   0.0000   0.0000  450.571   19.030  ?   ?   407.958   8.6325      ?      ? 
1 1 1   22    4   30 o  148.433   9.9951   59.724   8.0169   0.0000   0.0000   59.724   8.0169  ?   ?   148.433   9.9951      ?      ? 
1 1 1   22    4   31 o   68.868   10.166   16.332   2.5305   17.476   2.7075   8.4331   7.1143   80.364   6.2348   57.371   19.353 22.99257 20.33214 
1 1 1   22    4   32 o  130.677   6.7393   52.387   3.7070   57.031   4.2200   36.694   7.7574  145.196   5.3786  116.158   12.359 29.03838 13.47857 
1 1 1   22    4   33 o  278.152   6.0767  210.896   8.1107  212.237   9.5108  207.320   15.530  280.010   6.2857  276.295   10.402 3.714417 12.15349 
1 1 1   22    4   34 o  211.281   6.1575  120.863   7.0300   0.0000   0.0000  120.863   7.0300  ?   ?   211.281   6.1575      ?      ? 
1 1 1   22    4   35 o  402.556   5.5912  439.585   12.162  442.957   17.202  436.214   17.197  404.106   7.8778  401.007   7.9363 3.099304 11.18232 
1 1 1   22    4   36 f  205.888   4.3685  114.926   4.8522  122.653   6.8699  107.234   6.8544  212.817   5.9738  198.959   6.3755 13.85794 8.736947 
1 1 1   22    4   37 o  515.054   6.7252  721.550   18.717  721.643   26.359  721.456   26.582  515.103   9.4698  515.006   9.5518 0.9625244E-01 13.45039 
1 1 1   22    4   38 o   60.044   9.5204   10.370   3.0227   8.5473   4.3667   12.047   4.1883   54.776   14.519   65.312   12.319 -10.53518 19.04072 
1 1 1   22    4   39 o  374.258   7.3421  380.217   14.786  360.586   19.843  404.730   22.172  363.558   10.100  384.959   10.659 -21.40103 14.68417 
1 1 1   22    4   40 o  239.692   5.9024  156.431   7.6400  160.563   10.718  152.162   10.894  242.949   8.1640  236.435   8.5264 6.513901 11.80471 
1 1 1   22    4   41 o   93.013   7.7448   23.340   3.8617   20.070   5.1252   27.635   5.8734   85.575   11.083  100.450   10.821 -14.87505 15.48960 
1 1 1   22    4   42 o  181.215   5.3496   89.695   5.0212   90.438   6.2800   88.378   8.3603  182.460   6.3695  179.970   8.5968 2.490097 10.69930 
1 1 1   22    4   43 o  149.935   4.9617   60.916   4.0089   57.902   5.4300   64.528   5.9437  145.894   6.8877  153.976   7.1436 -8.082001 9.923306 
1 1 1   22    4   44 f  278.403   4.8071  210.936   7.2244  210.217   9.9870  211.724   10.463  277.950   6.6493  278.856   6.9440 -0.9056091 9.614157 
1 1 1   22    4   45 o   61.878   9.7932   11.200   3.2740   13.752   4.4464   8.1784   4.8389   70.467   11.677   53.290   15.725 17.17678 19.58642 
1 1 1   22    4   46 o  108.954   6.2017   32.769   3.6255   35.103   4.9668   30.106   5.3043  113.252   8.1160  104.656   9.3794 8.595375 12.40332 
1 1 1   22    4   47 o   46.595   10.967   5.8204   3.2540   4.5186   4.4357   7.3373   4.7881   42.532   15.225   50.658   15.788 -8.125233 21.93314 
1 1 1   22    4   48 o  101.141   6.6775   28.199   3.6413   28.027   4.9794   28.397   5.3384  100.876   9.1348  101.407   9.7422 -0.5302200 13.35494 
1 1 1   22    4   49 o  108.335   6.6547   33.074   3.8050   39.809   5.2783   25.789   5.4900  120.357   8.1158   96.313   10.549 24.04412 13.30948 
1 1 1   22    4   50 o  166.815   5.1964   76.486   4.6748   80.102   6.5232   72.667   6.7029  170.974   7.0606  162.657   7.6261 8.317444 10.39277 
1 1 1   22    4   51 o   35.635   10.554   0.7768   3.5186   2.8785   4.7797  -1.7097   5.1988   39.031   15.389   32.240   14.447 6.790886 21.10748 
1 1 1   22    4   52 o   89.435   8.3837   22.886   3.9856   26.614   5.5321   18.863   5.7470   97.530   10.497   81.341   13.075 16.18886 16.76749 
1 1 1   22    4   53 f   48.631   11.021   5.8245   3.9284   12.031   5.3798  -1.2657   5.7499   62.850   15.845   34.411   15.323 28.43838 22.04187 
1 1 1   22    4   54 o   60.715   14.032   11.340   4.8880   11.030   5.6694   12.239   9.6481   59.386   16.874   62.044   22.424 -2.657948 28.06327 
1 1 1   22    4   55 o   40.194   13.031  -3.4868   6.4296  -1.7063   8.6644  -5.6689   9.5917   41.016   18.492   39.372   18.364 1.644218 26.06133 
1 1 1   22    4   56 o   35.688   12.131 -11.2164   6.8856  -8.0946   9.3403 -14.9324   10.190   36.911   17.494   34.465   16.810 2.445320 24.26138 
1 1 1   22    4   57 o   35.231   11.201  -1.1470   4.4694  -3.2011   6.0357   1.3465   6.6502   31.663   14.701   38.799   16.904 -7.136192 22.40216 
1 1 1   22    4   58 o   84.894   10.619   22.121   4.7420   19.028   6.4983   25.644   6.9355   77.364   16.070   92.424   13.887 -15.05959 21.23865 
1 1 1   22    4   59 o   91.278   10.005   25.760   4.9270   24.487   6.7372   27.224   7.2240   88.973   14.013   93.582   14.286 -4.609055 20.01095 
1 1 1   22    5    0 o  754.431   13.115  1540.06   53.466   0.0000   0.0000  1540.06   53.466  ?   ?   754.431   13.115      ?      ? 
1 1 1   22    5    1 o  669.744   11.755  1210.93   42.444  1161.26   57.677  1269.59   62.683  654.843   16.300  684.644   16.943 -29.80072 23.51075 
1 1 1   22    5    2 o  413.189   7.9157  461.600   17.670  452.027   24.708  471.622   25.281  408.806   11.185  417.572   11.204 -8.765747 15.83147 
1 1 1   22    5    3 o  880.075   15.103  2100.01   71.799  2066.22   99.954  2136.04  103.201  872.790   21.193  887.360   21.523 -14.56958 30.20583 
1 1 1   22    5    4 o  1436.15   21.177  5558.67  152.714  5462.57  183.856  5772.52  274.249  1418.34   23.989  1453.96   34.906 -35.62329 42.35468 
1 1 1   22    5    5 o  268.483   5.5308  192.734   7.6440  201.779   13.100  188.065   9.4124  273.187   8.8742  263.780   6.6035 9.406586 11.06151 
1 1 1   22    5    6 o  130.771   9.2480   46.239   6.5350   46.239   6.5350   0.0000   0.0000  130.771   9.2480  ?   ?       ?      ? 
1 1 1   22    5    7 o  390.453   6.6316  408.075   13.324  398.988   16.407  425.676   22.834  384.177   7.9033  396.728   10.651 -12.55099 13.26320 
1 1 1   22    5    8 o  624.532   9.5208  1061.89   30.795  1078.39   38.571  1032.88   51.141  631.410   11.305  617.653   15.323 13.75757 19.04168 
1 1 1   22    5   10 o  551.950   7.1230  822.665   21.227  794.510   29.295  853.784   30.800  542.026   10.002  561.874   10.144 -19.84784 14.24597 
1 1 1   22    5   11 o  407.284   7.9795  448.457   17.561   0.0000   0.0000  448.457   17.561  ?   ?   407.284   7.9795      ?      ? 
1 1 1   22    5   12 o  556.392   7.1877  836.638   21.601  814.192   30.026  860.717   31.099  548.665   10.128  564.119   10.202 -15.45392 14.37534 
1 1 1   22    5   13 o  484.385   6.4446  633.688   16.857  612.259   23.320  657.139   24.395  475.822   9.0697  492.948   9.1581 -17.12643 12.88917 
1 1 1   22    5   14 f  756.032   9.3707  1546.61   38.269  1515.28   53.267  1580.05   55.016  748.129   13.176  763.934   13.327 -15.80499 18.74133 
1 1 1   22    5   15 o  299.537   6.8942  242.555   11.159   0.0000   0.0000  242.555   11.159  ?   ?   299.537   6.8942      ?      ? 
1 1 1   22    5   16 o  1027.21   12.469  2860.99   69.202  2825.06   96.952  2898.31   98.808  1020.65   17.579  1033.78   17.688 -13.12262 24.93750 
1 1 1   22    5   17 o  256.995   6.7387  176.285   8.1569  173.896   9.4193  183.446   16.311  253.626   6.8729  260.362   11.593 -6.736023 13.47741 
1 1 1   22    5   18 o  589.610   10.837  940.637   34.527   0.0000   0.0000  940.637   34.527  ?   ?   589.610   10.837      ?      ? 
1 1 1   22    5   24 o  275.667   8.1562  205.565   12.149   0.0000   0.0000  205.565   12.149  ?   ?   275.667   8.1562      ?      ? 
1 1 1   22    5   25 o  425.764   8.8963  490.541   20.468   0.0000   0.0000  490.541   20.468  ?   ?   425.764   8.8963      ?      ? 
1 1 1   22    5   28 o  349.652   8.4420  330.974   15.950   0.0000   0.0000  330.974   15.950  ?   ?   349.652   8.4420      ?      ? 
1 1 1   22    5   29 o  386.280   8.6715  404.077   18.100   0.0000   0.0000  404.077   18.100  ?   ?   386.280   8.6715      ?      ? 
1 1 1   22    5   30 o   59.332   20.223   8.9137   7.7695   0.0000   0.0000   8.9137   7.7695  ?   ?    59.332   20.223      ?      ? 
1 1 1   22    5   32 o  142.202   10.933   54.928   8.4010   0.0000   0.0000   54.928   8.4010  ?   ?   142.202   10.933      ?      ? 
1 1 1   22    5   33 o   91.244   8.7070   18.428   2.6876   17.410   2.8183   28.649   8.9298   80.187   6.5041  102.302   16.154 -22.11442 17.41391 
1 1 1   22    5   34 o  540.575   8.4361  803.721   23.753  767.117   38.701  825.842   30.086  529.962   13.514  551.188   10.101 -21.22552 16.87216 
1 1 1   22    5   35 f  222.028   5.3997  133.216   6.4665  125.518   8.8308  142.117   9.4955  215.141   7.5960  228.916   7.6764 -13.77510 10.79936 
1 1 1   22    5   36 o  308.818   6.3624  258.817   10.609  252.703   14.659  265.540   15.373  305.012   8.8942  312.624   9.1003 -7.612610 12.72486 
1 1 1   22    5   37 f  260.658   5.8587  184.533   8.2501  190.158   11.744  179.054   11.592  264.591   8.2143  256.726   8.3560 7.864777 11.71741 
1 1 1   22    5   38 o  213.029   5.5599  123.320   6.3960  129.077   9.0826  117.658   9.0084  217.984   7.7107  208.074   8.0121 9.909912 11.11974 
1 1 1   22    5   39 o  221.510   5.1396  134.830   5.9719  140.376   7.6727  126.306   9.5117  227.507   6.2412  215.513   8.1676 11.99333 10.27919 
1 1 1   22    5   40 o  162.574   4.6504   72.070   4.0646   76.250   5.5850   67.362   5.9267  167.655   6.1648  157.493   6.9641 10.16130 9.300724 
1 1 1   22    5   41 o  122.846   5.3114   40.892   3.5050   39.598   4.6772   42.549   5.2933  120.676   7.1726  125.016   7.8356 -4.339981 10.62280 
1 1 1   22    5   42 o  119.344   5.5000   38.829   3.5194   39.018   4.7007   38.587   5.3088  119.738   7.2651  118.950   8.2594 0.7881088 10.99997 
1 1 1   22    5   43 o  121.475   5.5518   40.419   3.6185   42.080   4.8992   38.426   5.3674  124.309   7.2935  118.642   8.3721 5.667351 11.10350 
1 1 1   22    5   44 o  206.523   4.6519  116.342   5.1796  122.464   7.2252  109.869   7.4293  212.186   6.3015  200.859   6.8450 11.32787 9.303880 
1 1 1   22    5   45 o   62.107   9.4147   11.704   3.2519   17.697   4.4448   4.8017   4.7703   80.149   10.263   44.065   15.787 36.08421 18.82938 
1 1 1   22    5   46 o  126.304   5.7452   43.888   3.8950   45.765   5.2860   41.657   5.7613  129.387   7.5605  123.221   8.6527 6.166023 11.49044 
1 1 1   22    5   47 o  125.106   5.7177   42.718   3.8547   40.487   5.2199   45.394   5.7167  121.560   7.9466  128.653   8.2231 -7.092941 11.43539 
1 1 1   22    5   48 o  127.922   5.8299   45.640   3.9576   53.764   5.4936   36.876   5.7064  140.176   7.2526  115.668   9.1297 24.50829 11.65983 
1 1 1   22    5   49 o   98.167   6.9460   26.320   3.6555   22.506   4.8653   31.263   5.5393   90.076   9.9957  106.258   9.6474 -16.18204 13.89194 
1 1 1   22    5   50 o  131.207   5.7732   46.960   4.0716   42.908   5.4297   52.164   6.1544  124.840   8.0489  137.574   8.2786 -12.73386 11.54647 
1 1 1   22    5   51 o   45.438   11.522   5.3694   3.5624   5.2753   4.6779   5.4994   5.4965   44.529   15.667   46.347   16.898 -1.818310 23.04362 
1 1 1   22    5   52 o   77.028   9.8336   17.288   3.9586   17.123   5.2246   17.511   6.0658   77.594   12.460   76.461   15.216 1.133614 19.66727 
1 1 1   22    5   53 o  143.320   6.2248   57.571   4.7722   63.319   6.5480   51.059   6.9696  151.357   8.0061  135.283   9.5340 16.07433 12.44968 
1 1 1   22    5   54 o  109.190   7.7451   34.133   4.5336   36.083   6.1671   31.839   6.6876  113.021   10.098  105.359   11.746 7.661301 15.49028 
1 1 1   22    5   55 o   25.445   9.1120 -19.0293   5.1250 -14.6199   5.8199 -34.2568   10.815   22.852   11.418   28.038   14.203 -5.185627 18.22392 
1 1 1   22    5   56 o  114.760   12.593   40.670   7.8021   40.541   10.811   40.811   11.271  114.884   17.416  114.637   18.194 0.2467651 25.18590 
1 1 1   22    5   57 o   96.186   14.944   33.123   7.5528   33.266   10.535   32.973   10.834   96.860   20.752   95.511   21.509 1.348465 29.88827 
1 1 1   22    5   58 o  101.646   8.7811   30.379   4.8001   29.346   6.4421   31.669   7.1975  100.050   11.916  103.241   12.901 -3.190521 17.56219 
1 1 1   22    6    0 f  564.529   7.2761  861.590   22.193  845.479   31.066  878.382   31.714  559.141   10.282  569.917   10.298 -10.77533 14.55223 
1 1 1   22    6    1 o  678.138   8.4769  1244.07   31.062  1240.19   44.008  1247.93   43.850  677.079   12.028  679.196   11.948 -2.117065 16.95372 
1 1 1   22    6    2 o  711.672   8.8646  1369.98   34.079  1382.22   48.907  1358.43   47.514  714.751   12.663  708.593   12.409 6.158081 17.72919 
1 1 1   22    6    3 o  1019.97   14.960  2856.77   79.583  2682.43  128.704  2964.69  101.262  993.898   23.964  1046.04   17.915 -52.14398 29.92022 
1 1 1   22    6    4 o  651.738   11.462  1150.09   40.361  1136.26   56.578  1164.41   57.594  647.755   16.164  655.722   16.254 -7.967102 22.92330 
1 1 1   22    6    5 o  172.738   5.9333   79.864   5.5038   87.860   8.3741   73.784   7.3025  180.271   8.5965  165.205   8.1801 15.06598 11.86653 
1 1 1   22    6    6 o  773.623   13.383  1616.90   55.808  1550.90   75.794  1695.05   82.479  756.487   18.542  790.760   19.302 -34.27313 26.76514 
1 1 1   22    6    7 o  461.286   8.5394  575.635   21.285  569.594   30.002  581.757   30.202  458.849   12.100  463.724   12.053 -4.875214 17.07877 
1 1 1   22    6    8 o  615.752   9.4990  1021.57   29.930  1012.18   36.743  1040.09   51.599  611.725   11.116  619.779   15.407 -8.054138 18.99807 
1 1 1   22    6    9 o  185.585   7.6848   93.108   7.7066   0.0000   0.0000   93.108   7.7066  ?   ?   185.585   7.6848      ?      ? 
1 1 1   22    6   10 f  878.524   10.722  2084.55   50.800  2007.38   69.277  2174.31   74.717  861.018   14.890  896.030   15.431 -35.01233 21.44372 
1 1 1   22    6   11 o  722.176   8.9773  1411.22   35.030  1392.62   49.134  1430.44   49.955  717.339   12.676  727.013   12.716 -9.673584 17.95463 
1 1 1   22    6   12 o  208.482   4.6297  117.658   5.1944  115.529   7.6632  119.466   7.0651  206.730   6.8599  210.233   6.2191 -3.502945 9.259364 
1 1 1   22    6   13 o   87.340   7.6044   23.114   3.1241   13.518   4.8513   29.913   4.0834   69.491   13.405  105.188   7.1840 -35.69659 15.20884 
1 1 1   22    6   14 o  249.410   4.8404  168.406   6.5099  155.919   9.2105  180.871   9.2022  240.152   7.0976  258.667   6.5836 -18.51430 9.680864 
1 1 1   22    6   15 o  683.045   8.5891  1261.31   31.679  1225.40   43.795  1300.71   45.879  672.871   12.045  693.218   12.248 -20.34662 17.17810 
1 1 1   22    6   16 o  759.019   9.4426  1559.06   38.717  1528.06   53.952  1591.96   55.593  751.253   13.290  766.784   13.417 -15.53082 18.88526 
1 1 1   22    6   17 o  607.150   9.7769  980.578   29.450  954.670   35.031  1043.02   54.384  593.988   10.914  620.312   16.225 -26.32385 19.55382 
1 1 1   22    6   24 o  209.620   8.9190  118.899   10.103   0.0000   0.0000  118.899   10.103  ?   ?   209.620   8.9190      ?      ? 
1 1 1   22    6   28 o  424.470   12.285  488.964   28.177   0.0000   0.0000  488.964   28.177  ?   ?   424.470   12.285      ?      ? 
1 1 1   22    6   29 o  331.513   11.289  298.198   20.223   0.0000   0.0000  298.198   20.223  ?   ?   331.513   11.289      ?      ? 
1 1 1   22    6   34 f  463.589   12.082  586.036   30.267   0.0000   0.0000  586.036   30.267  ?   ?   463.589   12.082      ?      ? 
1 1 1   22    6   35 o  243.013   5.0213  161.288   6.4886  167.574   8.5492  152.748   9.9652  248.718   6.3611  237.308   7.7712 11.41025 10.04263 
1 1 1   22    6   36 o   99.094   7.5370   26.641   4.0359   0.0000   0.0000   26.641   4.0359  ?   ?    99.094   7.5370      ?      ? 
1 1 1   22    6   37 o  141.704   4.7425   54.447   3.6300   52.385   5.0932   56.575   5.1751  138.972   6.7822  144.435   6.6306 -5.463272 9.484943 
1 1 1   22    6   38 o  284.185   4.7423  218.555   7.2686  210.344   9.9152  228.094   10.687  278.451   6.5897  289.919   6.8216 -11.46820 9.484634 
1 1 1   22    6   39 o  197.438   4.5266  105.835   4.8234  112.066   6.8292   99.632   6.8134  203.265   6.2176  191.612   6.5804 11.65274 9.053185 
1 1 1   22    6   40 o  280.926   4.7795  214.349   7.2544  218.469   10.257  210.226   10.261  283.642   6.6924  278.211   6.8254 5.430847 9.559021 
1 1 1   22    6   41 o  177.200   4.6491   85.488   4.4384   92.985   6.2747   77.981   6.2791  185.035   6.2755  169.364   6.8610 15.67065 9.298116 
1 1 1   22    6   42 o  365.017   5.4007  362.977   10.652  368.240   15.064  357.716   15.063  367.685   7.5821  362.349   7.6930 5.335022 10.80136 
1 1 1   22    6   43 f  231.315   6.7990  145.603   8.4984   0.0000   0.0000  145.603   8.4984  ?   ?   231.315   6.7990      ?      ? 
1 1 1   22    6   44 o   49.329   10.324   6.3414   3.1115   3.1219   4.1322   10.557   4.7285   38.454   14.532   60.203   14.670 -21.74843 20.64885 
1 1 1   22    6   45 o  184.412   4.8585   92.558   4.8266   90.832   6.5468   94.614   7.1437  182.586   6.6355  186.237   7.0986 -3.650513 9.716990 
1 1 1   22    6   46 o  108.931   6.2932   32.257   3.6837   28.451   4.9334   37.054   5.5379  101.732   8.9744  116.131   8.8250 -14.39895 12.58649 
1 1 1   22    6   47 o  178.351   5.0011   87.233   4.7906   90.247   6.4983   83.646   7.0900  181.864   6.6125  174.839   7.5045 7.025055 10.00218 
1 1 1   22    6   48 o   64.743   10.277   12.503   3.4859   13.512   4.6108   11.157   5.3258   68.279   12.971   61.206   15.944 7.072880 20.55362 
1 1 1   22    6   49 o  155.638   5.4047   66.737   4.5213   69.255   6.1611   63.798   6.6557  158.978   7.1718  152.297   8.0875 6.681290 10.80939 
1 1 1   22    6   50 o  199.435   5.0310  108.149   5.3827  101.745   7.1192  116.696   8.2245  192.716   6.8364  206.154   7.3829 -13.43834 10.06196 
1 1 1   22    6   51 o  199.210   5.0776  108.869   5.4474  108.496   7.4016  109.310   8.0462  198.962   6.8844  199.458   7.4654 -0.4961090 10.15514 
1 1 1   22    6   52 o   76.642   9.9043   17.339   3.9267   17.962   5.1223   16.453   6.1152   79.585   11.911   73.700   15.828 5.884583 19.80863 
1 1 1   22    6   53 o  213.310   5.2662  125.601   6.0481  126.273   8.2260  124.810   8.9230  214.128   7.1093  212.492   7.7711 1.635803 10.53239 
1 1 1   22    6   54 o  110.291   7.7074   34.625   4.5624   34.776   6.1234   34.436   6.8404  110.898   10.218  109.683   11.541 1.214737 15.41484 
1 1 1   22    6   56 o   50.556   13.734   7.4207   5.1383   8.9695   5.8635   2.2950   10.666   53.211   17.561   47.901   21.122 5.309624 27.46848 
1 1 1   22    6   57 o   65.782   15.619   16.094   7.0895   21.158   9.1913   8.6577   11.139   76.775   21.370   54.790   22.785 21.98472 31.23812 
1 1 1   22    6   58 o  129.296   9.4079   50.809   6.2359   49.234   10.438   51.683   7.7761  125.393   15.405  133.198   10.804 -7.805054 18.81574 
1 1 1   22    7    0 o  583.299   7.4972  919.625   23.623  897.794   32.908  942.836   33.933  576.163   10.570  590.435   10.635 -14.27222 14.99449 
1 1 1   22    7    1 o  764.428   9.4507  1581.06   39.035  1562.06   54.771  1600.68   55.647  759.763   13.341  769.093   13.390 -9.330444 18.90147 
1 1 1   22    7    2 o  763.424   9.4364  1577.16   38.927  1570.74   55.042  1583.58   55.062  761.868   13.370  764.979   13.320 -3.110596 18.87273 
1 1 1   22    7    3 o  731.534   9.0906  1446.55   35.911  1409.78   49.704  1486.71   51.942  721.827   12.743  741.242   12.968 -19.41486 18.18118 
1 1 1   22    7    4 o  676.455   8.4995  1237.56   31.064  1216.45   43.468  1259.60   44.408  670.562   11.996  682.349   12.044 -11.78656 16.99901 
1 1 1   22    7    5 o  541.996   7.0692  794.376   20.703  783.753   29.192  805.126   29.366  538.348   10.035  545.643   9.9597 -7.294861 14.13838 
1 1 1   22    7    6 o  723.220   9.0224  1415.23   35.259  1399.82   49.683  1430.86   50.045  719.252   12.783  727.188   12.736 -7.936218 18.04479 
1 1 1   22    7    7 o  326.882   6.0790  292.642   10.387  273.423   16.688  304.794   13.270  317.977   9.7125  335.787   7.3134 -17.81088 12.15808 
1 1 1   22    7    8 o  662.589   11.628  1183.69   41.490  1125.45   55.931  1254.95   61.867  644.592   16.058  680.585   16.822 -35.99286 23.25597 
1 1 1   22    7    9 o  800.613   13.828  1728.96   59.573  1639.64   79.938  1840.54   89.342  777.569   19.025  823.657   20.073 -46.08777 27.65673 
1 1 1   22    7   10 o  454.768   8.4505  558.406   20.740  535.360   28.472  584.459   30.273  444.799   11.846  464.736   12.055 -19.93689 16.90108 
1 1 1   22    7   11 o  442.435   8.2594  527.440   19.696  498.649   26.718  561.712   29.150  429.277   11.518  455.594   11.841 -26.31726 16.51871 
1 1 1   22    7   12 f  213.018   5.7908  122.988   6.6499  115.991   9.5425  129.595   9.2720  207.106   8.5267  218.929   7.8376 -11.82310 11.58158 
1 1 1   22    7   13 o  514.708   9.2991  717.081   25.860  704.955   36.192  729.730   36.963  510.265   13.126  519.150   13.176 -8.884796 18.59821 
1 1 1   22    7   14 o  476.219   8.7006  613.845   22.389  608.784   31.643  618.919   31.683  474.251   12.347  478.188   12.261 -3.937469 17.40114 
1 1 1   22    7   15 o  604.555   10.651  989.778   34.781  1003.38   50.001  977.027   48.414  608.562   15.205  600.549   14.919 8.013611 21.30165 
1 1 1   22    7   16 o  710.193   12.345  1357.03   47.088  1275.00   62.567  1464.19   71.512  685.725   16.885  734.661   18.014 -48.93530 24.69021 
1 1 1   22    7   17 o  795.627   13.763  1710.74   58.948  1629.05   79.324  1811.49   88.096  774.623   18.951  816.631   19.964 -42.00726 27.52595 
1 1 1   22    7   29 f  267.498   15.425  195.045   22.296   0.0000   0.0000  195.045   22.296  ?   ?   267.498   15.425      ?      ? 
1 1 1   22    7   30 o  281.073   14.974  215.450   22.743   0.0000   0.0000  215.450   22.743  ?   ?   281.073   14.974      ?      ? 
1 1 1   22    7   31 o  173.975   10.488   82.191   9.8602   0.0000   0.0000   82.191   9.8602  ?   ?   173.975   10.488      ?      ? 
1 1 1   22    7   32 o  239.475   8.8026  155.568   11.391   0.0000   0.0000  155.568   11.391  ?   ?   239.475   8.8026      ?      ? 
1 1 1   22    7   33 o  421.200   12.342  483.784   28.092  483.784   28.092   0.0000   0.0000  421.200   12.342  ?   ?       ?      ? 
1 1 1   22    7   34 o  212.959   7.5359  123.433   8.6688  123.806   12.105  123.040   12.420  213.312   10.502  212.607   10.811 0.7051392 15.07185 
1 1 1   22    7   35 o  493.192   8.2051  653.697   20.107  687.612   36.906  639.380   23.979  501.306   13.624  485.077   9.1480 16.22906 16.41026 
1 1 1   22    7   36 o   72.142   7.1857   13.548   2.7373   18.167   4.4231   10.681   3.4849   81.675   10.022   62.610   10.300 19.06487 14.37142 
1 1 1   22    7   37 o  110.027   5.4874   32.759   3.2372   33.891   4.9289   31.900   4.2929  111.660   8.1688  108.395   7.3292 3.265244 10.97480 
1 1 1   22    7   38 o  146.958   4.8928   58.720   3.8760   54.050   5.4841   63.381   5.4789  141.083   7.1935  152.834   6.6342 -11.75085 9.785638 
1 1 1   22    7   39 o  126.177   5.3409   43.352   3.6345   41.540   5.2302   45.044   5.0543  123.594   7.8313  128.759   7.2643 -5.165260 10.68177 
1 1 1   22    7   40 o  240.826   6.6363  157.552   8.6361   0.0000   0.0000  157.552   8.6361  ?   ?   240.826   6.6363      ?      ? 
1 1 1   22    7   41 o  198.523   6.6331  107.124   7.1157   0.0000   0.0000  107.124   7.1157  ?   ?   198.523   6.6331      ?      ? 
1 1 1   22    7   42 o  154.110   7.1904   64.656   5.9879   0.0000   0.0000   64.656   5.9879  ?   ?   154.110   7.1904      ?      ? 
1 1 1   22    7   43 o  155.700   5.0766   66.149   4.2652   69.380   5.9896   62.825   6.0752  159.605   6.9448  151.796   7.4064 7.809387 10.15315 
1 1 1   22    7   44 o  115.912   6.0366   36.873   3.7717   39.302   5.2895   34.361   5.3797  119.869   8.1662  111.954   8.8926 7.915253 12.07329 
1 1 1   22    7   45 o  259.237   7.0440  183.393   9.8674   0.0000   0.0000  183.393   9.8674  ?   ?   259.237   7.0440      ?      ? 
1 1 1   22    7   46 o   99.332   7.0075   26.966   3.7412   23.740   5.0240   30.981   5.6053   92.705   10.029  105.960   9.7898 -13.25482 14.01500 
1 1 1   22    7   47 o  209.201   7.1726  119.683   8.1082   0.0000   0.0000  119.683   8.1082  ?   ?   209.201   7.1726      ?      ? 
1 1 1   22    7   48 o  125.318   6.1406   43.595   4.1255   47.654   5.6875   39.089   5.9930  131.706   7.9915  118.930   9.3254 12.77625 12.28116 
1 1 1   22    7   49 o  127.147   6.2948   45.631   4.2267   52.004   5.7030   37.863   6.2960  137.577   7.6713  116.718   9.9825 20.85815 12.58960 
1 1 1   22    7   50 o  193.645   5.1659  103.390   5.3741  108.441   7.3361   97.539   7.8950  198.967   6.8233  188.324   7.7581 10.64227 10.33181 
1 1 1   22    7   51 o  132.321   6.1944   47.667   4.3731   43.615   5.6666   53.634   6.8766  125.635   8.3469  139.008   9.1548 -13.37254 12.38874 
1 1 1   22    7   52 o  134.161   6.5062   49.925   4.6583   49.105   6.1058   51.068   7.2054  133.136   8.4871  135.186   9.8637 -2.050339 13.01245 
1 1 1   22    7   53 o  107.035   8.0283   32.285   4.5832   30.429   5.9537   34.986   7.1804  103.647   10.630  110.423   12.034 -6.776001 16.05660 
1 1 1   22    7   54 o   53.851   12.932   8.5996   4.4302   7.5269   5.7372   10.184   6.9725   50.500   17.374   57.202   19.159 -6.701939 25.86382 
1 1 1   22    7   55 o  117.236   8.1296   39.091   5.0422   38.740   6.4988   39.622   7.9921  117.198   10.262  117.273   12.612 -0.7485199E-01 16.25917 
1 1 1   22    7   56 o   39.319   12.774  -0.5634   5.0875  -0.3608   5.6718  -1.3977   11.508   34.173   15.217   44.465   20.523 -10.29264 25.54881 
1 1 1   22    7   57 o   73.154   16.005   20.454   7.6150   26.374   9.7826   11.351   12.131   87.007   21.038   59.301   24.124 27.70560 32.00907 
1 1 1   22    7   58 o   84.338   15.845   28.064   7.6669   34.662   10.455   20.387   11.277   98.657   20.289   70.019   24.342 28.63790 31.68904 
1 1 1   22    8    0 o  761.451   9.4457  1568.75   38.861  1547.49   54.472  1590.78   55.458  756.202   13.331  766.700   13.386 -10.49854 18.89149 
1 1 1   22    8    1 o  1096.71   13.239  3257.96   78.421  3195.41  108.903  3325.34  113.020  1085.81   18.561  1107.61   18.883 -21.79504 26.47797 
1 1 1   22    8    2 o  421.462   8.3193  480.232   18.947   0.0000   0.0000  480.232   18.947  ?   ?   421.462   8.3193      ?      ? 
1 1 1   22    8    3 o  740.109   9.2118  1481.79   36.833  1457.20   51.467  1507.61   52.737  733.820   12.979  746.398   13.075 -12.57739 18.42353 
1 1 1   22    8    4 o  506.370   6.7800  692.334   18.537  665.648   25.613  721.686   26.863  496.141   9.5538  516.599   9.6230 -20.45889 13.56009 
1 1 1   22    8    5 o  690.917   8.6841  1291.30   32.417  1270.85   45.369  1312.63   46.336  685.332   12.251  696.501   12.311 -11.16895 17.36822 
1 1 1   22    8    7 o  285.251   9.3737  220.045   14.449  220.045   14.449   0.0000   0.0000  285.251   9.3737  ?   ?       ?      ? 
1 1 1   22    8    8 o  541.288   8.4804  805.016   24.081  738.288   38.110  849.363   31.069  522.216   13.505  560.360   10.260 -38.14380 16.96082 
1 1 1   22    8    9 o  599.651   9.3284  970.395   28.719  963.672   35.402  983.333   49.113  596.807   10.978  602.494   15.085 -5.686462 18.65673 
1 1 1   22    8   10 o  632.316   9.8501  1056.13   31.093  1015.72   37.071  1152.03   57.102  612.676   11.197  651.957   16.209 -39.28119 19.70020 
1 1 1   22    8   11 o  406.464   8.2565  446.749   18.135   0.0000   0.0000  446.749   18.135  ?   ?   406.464   8.2565      ?      ? 
1 1 1   22    8   12 o  1176.35   14.213  3749.70   90.217  3629.19  123.617  3887.02  131.963  1156.26   19.785  1196.45   20.411 -40.18677 28.42639 
1 1 1   22    8   13 o  783.136   13.729  1660.74   58.098   0.0000   0.0000  1660.74   58.098  ?   ?   783.136   13.729      ?      ? 
1 1 1   22    8   15 o  410.863   6.0782  456.435   13.480  458.504   19.546  454.558   18.614  411.742   8.7852  409.984   8.4021 1.758484 12.15632 
1 1 1   22    8   16 o  423.526   6.1581  485.125   14.085  485.582   20.276  484.699   19.580  423.711   8.8558  423.340   8.5593 0.3706970 12.31610 
1 1 1   22    8   17 o  552.451   13.938  826.802   41.607  826.802   41.607   0.0000   0.0000  552.451   13.938  ?   ?       ?      ? 
1 1 1   22    8   18 o  509.252   7.7794  701.277   21.407   0.0000   0.0000  701.277   21.407  ?   ?   509.252   7.7794      ?      ? 
1 1 1   22    8   19 o  300.739   13.435  245.045   21.834   0.0000   0.0000  245.045   21.834  ?   ?   300.739   13.435      ?      ? 
1 1 1   22    8   20 f  544.809   15.138  805.180   44.566   0.0000   0.0000  805.180   44.566  ?   ?   544.809   15.138      ?      ? 
1 1 1   22    8   24 o  665.797   12.219  1202.22   43.960   0.0000   0.0000  1202.22   43.960  ?   ?   665.797   12.219      ?      ? 
1 1 1   22    8   28 o  111.878   14.589   34.080   8.8197   0.0000   0.0000   34.080   8.8197  ?   ?   111.878   14.589      ?      ? 
1 1 1   22    8   30 o  340.306   8.9496  314.020   16.457   0.0000   0.0000  314.020   16.457  ?   ?   340.306   8.9496      ?      ? 
1 1 1   22    8   31 o   97.536   17.390   26.842   8.8292   0.0000   0.0000   26.842   8.8292  ?   ?    97.536   17.390      ?      ? 
1 1 1   22    8   33 o  141.894   12.250   54.922   9.3928   0.0000   0.0000   54.922   9.3928  ?   ?   141.894   12.250      ?      ? 
1 1 1   22    8   34 o  315.394   7.6275  270.872   12.996  273.198   18.232  268.468   18.531  316.802   10.650  313.987   10.922 2.814697 15.25502 
1 1 1   22    8   35 o  206.415   6.0556  111.420   5.7635  124.167   12.078  107.662   6.5584  213.490   10.469  199.339   6.0886 14.15117 12.11117 
1 1 1   22    8   36 o  302.694   6.8879  248.583   11.266   0.0000   0.0000  248.583   11.266  ?   ?   302.694   6.8879      ?      ? 
1 1 1   22    8   37 o  167.992   6.2732   76.536   5.6946   0.0000   0.0000   76.536   5.6946  ?   ?   167.992   6.2732      ?      ? 
1 1 1   22    8   38 o  143.239   5.0643   55.716   3.9015   55.830   5.8070   55.622   5.2676  143.337   7.4973  143.141   6.8102 0.1955261 10.12861 
1 1 1   22    8   39 o  192.141   6.5393  100.240   6.7895   0.0000   0.0000  100.240   6.7895  ?   ?   192.141   6.5393      ?      ? 
1 1 1   22    8   40 o  105.583   6.1652   30.418   3.5020   30.488   5.2035   30.361   4.7348  105.644   9.1150  105.522   8.3038 0.1224747 12.33030 
1 1 1   22    8   41 o   99.554   6.6268   27.350   3.5322   24.562   5.1730   29.785   4.8348   94.658   10.113  104.450   8.5661 -9.791664 13.25359 
1 1 1   22    8   42 o   63.600   10.110   11.686   3.3879   12.054   4.8964   11.348   4.6926   64.554   14.403   62.646   14.191 1.907272 20.21948 
1 1 1   22    8   43 o  182.964   6.9833   91.241   6.9042   0.0000   0.0000   91.241   6.9042  ?   ?   182.964   6.9833      ?      ? 
1 1 1   22    8   44 o   86.342   7.7988   20.635   3.6247   18.439   5.0872   22.900   5.1659   81.577   11.540   91.107   10.493 -9.529129 15.59764 
1 1 1   22    8   45 o  144.476   5.5132   57.226   4.2964   60.754   6.0490   53.635   6.1033  149.044   7.5107  139.908   8.0730 9.135406 11.02648 
1 1 1   22    8   46 o  232.760   4.9235  148.028   6.1906  151.313   8.7218  144.692   8.7883  235.402   6.8566  230.118   7.0675 5.283447 9.846945 
1 1 1   22    8   47 o  147.873   5.6156   59.839   4.4799   55.561   6.1616   64.636   6.5250  142.261   8.0153  153.485   7.8673 -11.22411 11.23119 
1 1 1   22    8   48 o  193.871   5.1111  102.810   5.3443   99.988   7.2983  106.073   7.8475  191.067   7.0689  196.674   7.3841 -5.607239 10.22223 
1 1 1   22    8   49 o  214.541   5.0789  126.337   5.8794  127.585   8.1237  124.963   8.5201  215.750   6.9681  213.331   7.3910 2.418762 10.15776 
1 1 1   22    8   50 o   68.972   10.689   14.342   3.8522   15.402   5.1314   12.973   5.8312   72.498   13.598   65.445   16.495 7.053154 21.37704 
1 1 1   22    8   51 o  154.707   5.8557   66.422   4.8745   69.237   6.6897   63.236   7.1173  158.410   7.8152  151.005   8.7225 7.405548 11.71146 
1 1 1   22    8   52 o   51.608   11.711   6.2806   4.1988   0.3788   5.5851   13.952   6.3677   36.264   15.645   66.952   17.430 -30.68793 23.42188 
1 1 1   22    8   53 o   50.335   12.575   7.4545   4.2687   8.0714   5.6633   6.6430   6.4956   51.595   17.267   49.075   18.286 2.520164 25.15040 
1 1 1   22    8   54 o   50.431   18.822   6.9304   6.8878   0.0000   0.0000   6.9304   6.8878  ?   ?    50.431   18.822      ?      ? 
1 1 1   22    8   55 o   89.295   10.861   25.697   4.8238   31.917   6.3796   17.394   7.3710  105.550   11.185   73.040   18.620 32.50976 21.72114 
1 1 1   22    8   56 o   34.814   11.177  -1.7337   4.4653  -3.3309   5.7441   0.7057   7.0986   30.714   14.287   38.914   17.191 -8.199318 22.35300 
1 1 1   22    8   57 o   51.176   14.483   4.0693   5.2659   0.5684   5.9510   16.703   11.305   36.334   15.906   66.017   24.209 -29.68311 28.96679 
1 1 1   22    9    0 o  481.722   6.6077  627.587   17.198  621.157   24.423  633.912   24.223  479.270   9.4303  484.174   9.2584 -4.903687 13.21549 
1 1 1   22    9    1 o  181.870   7.3098   89.415   7.1838   0.0000   0.0000   89.415   7.1838  ?   ?   181.870   7.3098      ?      ? 
1 1 1   22    9    2 o  869.102   10.666  2044.38   50.071  2004.53   69.673  2086.95   72.007  860.361   14.986  877.844   15.180 -17.48279 21.33124 
1 1 1   22    9    3 o  528.106   7.0210  754.335   20.035  746.258   28.354  762.387   28.313  525.279   9.9894  530.932   9.8685 -5.652771 14.04194 
1 1 1   22    9    4 f   47.974   11.784   5.2176   3.9556   1.5207   5.8864   8.2616   5.3414   40.916   16.743   55.032   16.588 -14.11582 23.56859 
1 1 1   22    9    6 o  414.919   6.0156  465.278   13.473  470.656   19.564  460.426   18.580  417.191   8.6784  412.647   8.3326 4.544922 12.03114 
1 1 1   22    9    7 o  416.476   8.3794  469.028   18.858   0.0000   0.0000  469.028   18.858  ?   ?   416.476   8.3794      ?      ? 
1 1 1   22    9    8 o  242.422   5.8061  160.512   7.3677  152.230   11.847  165.736   9.4086  237.245   9.2408  247.599   7.0322 -10.35472 11.61226 
1 1 1   22    9    9 o  896.651   13.274  2208.61   62.119  2072.07  100.254  2293.71   79.143  873.338   21.244  919.963   15.920 -46.62439 26.54727 
1 1 1   22    9   10 o  270.760   5.9348  194.857   8.5320  181.335   10.935  215.901   13.642  258.972   7.8139  282.547   8.9348 -23.57458 11.86961 
1 1 1   22    9   11 o  389.457   10.694  410.360   22.505   0.0000   0.0000  410.360   22.505  ?   ?   389.457   10.694      ?      ? 
1 1 1   22    9   13 o  341.209   5.6044  314.685   10.316  316.905   15.050  312.719   14.169  342.335   8.1358  340.082   7.7100 2.253784 11.20873 
1 1 1   22    9   14 o  491.204   9.5315  652.701   25.299   0.0000   0.0000  652.701   25.299  ?   ?   491.204   9.5315      ?      ? 
1 1 1   22    9   15 o  163.565   5.4840   72.040   4.8112   74.751   7.3174   69.976   6.3856  166.258   8.1450  160.873   7.3456 5.384674 10.96807 
1 1 1   22    9   16 o  170.960   5.3886   79.501   4.9481   71.573   7.1324   86.857   6.8704  162.686   8.1133  179.235   7.0937 -16.54955 10.77712 
1 1 1   22    9   17 o  866.931   12.958  2034.20   57.129  2058.78   99.547  2022.13   69.760  870.128   21.172  863.734   14.946 6.393921 25.91603 
1 1 1   22    9   18 o  625.453   8.0152  1058.04   27.089   0.0000   0.0000  1058.04   27.089  ?   ?   625.453   8.0152      ?      ? 
1 1 1   22    9   19 o  641.277   11.691  1113.82   40.512   0.0000   0.0000  1113.82   40.512  ?   ?   641.277   11.691      ?      ? 
1 1 1   22    9   20 o  262.134   7.1952  185.828   10.192   0.0000   0.0000  185.828   10.192  ?   ?   262.134   7.1952      ?      ? 
1 1 1   22    9   22 o  320.560   8.7631  278.117   15.179   0.0000   0.0000  278.117   15.179  ?   ?   320.560   8.7631      ?      ? 
1 1 1   22    9   23 o  475.753   9.8341  613.050   25.282   0.0000   0.0000  613.050   25.282  ?   ?   475.753   9.8341      ?      ? 
1 1 1   22    9   25 o  168.857   10.560   77.282   9.6357   0.0000   0.0000   77.282   9.6357  ?   ?   168.857   10.560      ?      ? 
1 1 1   22    9   27 o  506.110   10.222  694.693   27.955   0.0000   0.0000  694.693   27.955  ?   ?   506.110   10.222      ?      ? 
1 1 1   22    9   28 o  315.764   8.7546  270.236   14.938   0.0000   0.0000  270.236   14.938  ?   ?   315.764   8.7546      ?      ? 
1 1 1   22    9   31 o  478.901   10.089  623.259   26.109   0.0000   0.0000  623.259   26.109  ?   ?   478.901   10.089      ?      ? 
1 1 1   22    9   32 o  319.185   8.7873  276.619   15.156   0.0000   0.0000  276.619   15.156  ?   ?   319.185   8.7873      ?      ? 
1 1 1   22    9   34 o   85.138   9.8733   15.800   2.9187   26.847   9.1674   14.554   3.0789   97.043   18.149   73.233   7.7804 23.81036 19.74664 
1 1 1   22    9   35 o  465.536   7.9246  592.666   18.602  589.414   32.784  594.209   22.591  463.698   13.084  467.374   8.9449 -3.676178 15.84923 
1 1 1   22    9   36 o  111.600   5.9355   34.049   3.4575   33.176   5.6377   34.576   4.3774  110.348   9.4546  112.851   7.1783 -2.502586 11.87093 
1 1 1   22    9   37 o   94.788   8.2383   24.441   4.2196   0.0000   0.0000   24.441   4.2196  ?   ?    94.788   8.2383      ?      ? 
1 1 1   22    9   38 o  163.547   4.9937   72.988   4.3736   70.046   6.5663   75.333   5.8637  160.505   7.5708  166.589   6.5138 -6.083679 9.987351 
1 1 1   22    9   39 o   66.306   9.6711   12.274   3.2689   13.989   5.3637   11.261   4.1232   69.753   14.694   62.859   12.578 6.894333 19.34229 
1 1 1   22    9   40 o  232.241   4.8162  146.659   6.0371  146.865   8.7521  146.472   8.3385  232.361   6.9705  232.120   6.6479 0.2405548 9.632368 
1 1 1   22    9   41 o  137.398   5.5935   51.308   4.1363   53.400   6.1781   49.609   5.5686  139.884   8.1733  134.912   7.6385 4.971634 11.18705 
1 1 1   22    9   42 o  170.342   7.0492   79.070   6.4886   0.0000   0.0000   79.070   6.4886  ?   ?   170.342   7.0492      ?      ? 
1 1 1   22    9   43 o  116.701   6.3699   36.987   3.9964   42.276   5.9872   32.737   5.3670  124.167   8.9234  109.234   9.0925 14.93269 12.73973 
1 1 1   22    9   44 f   25.112   8.5551  -7.1667   3.4540  -9.0717   5.2215  -5.6845   4.6057   24.763   12.068   25.462   12.130 -0.6991768 17.11022 
1 1 1   22    9   45 o  116.824   9.0224   37.544   5.6957   0.0000   0.0000   37.544   5.6957  ?   ?   116.824   9.0224      ?      ? 
1 1 1   22    9   46 o  177.805   5.3166   86.534   5.1046   82.101   7.1405   91.166   7.2999  173.114   7.6333  182.496   7.4025 -9.381683 10.63316 
1 1 1   22    9   47 o   85.809   9.5638   21.900   4.0741   12.885   5.7170   31.203   5.8074   65.586   16.221  106.033   10.136 -40.44693 19.12764 
1 1 1   22    9   48 o  118.627   6.8343   39.044   4.3801   38.708   6.1245   39.396   6.2668  118.128   9.5947  119.127   9.7352 -0.9986496 13.66866 
1 1 1   22    9   49 o  119.078   6.8297   39.349   4.3907   38.833   6.0669   39.917   6.3624  118.314   9.4894  119.841   9.8249 -1.527748 13.65934 
1 1 1   22    9   50 o   60.672   11.812   11.273   4.0178   12.530   5.5165   9.8520   5.8634   64.277   15.957   57.066   17.420 7.210392 23.62322 
1 1 1   22    9   51 o   27.401   9.3260  -7.7542   4.0598  -8.3590   5.5783  -7.0732   5.9199   26.282   12.730   28.519   13.632 -2.237413 18.65198 
1 1 1   22    9   52 o  155.516   6.2907   67.574   5.2759   67.831   7.2479   67.284   7.6946  155.998   8.5981  155.033   9.1848 0.9648438 12.58130 
1 1 1   22    9   53 o   56.221   12.984   9.6873   4.5782   7.7701   6.3246   11.798   6.6358   51.503   18.207   60.939   18.516 -9.435234 25.96769 
1 1 1   22    9   54 o  137.207   7.1711   52.562   5.2857   48.869   7.0268   57.374   8.0218  131.859   9.8619  142.556   10.414 -10.69653 14.34229 
1 1 1   22    9   55 o  119.578   8.0728   41.710   5.1908   40.201   6.9591   43.602   7.7935  117.515   10.959  121.641   11.857 -4.125481 16.14562 
1 1 1   22    9   56 o   74.121   12.240   18.114   4.8194   19.892   6.5111   15.959   7.1672   79.390   15.734   68.853   18.755 10.53698 24.48080 
1 1 1   22    9   57 o   62.383   15.507   10.443   5.7150   5.9713   6.4644   26.441   12.228   45.661   17.930   79.105   25.307 -33.44418 31.01487 
1 1 1   22   10    0 o  389.933   5.9879  411.031   12.602  413.386   18.302  408.909   17.377  390.987   8.6626  388.879   8.2693 2.108185 11.97590 
1 1 1   22   10    1 o  406.446   6.0659  446.711   13.318  431.597   18.751  462.099   18.920  399.504   8.6860  413.388   8.4697 -13.88483 12.13188 
1 1 1   22   10    2 f  655.347   8.3786  1162.18   29.669  1147.02   41.740  1177.67   42.182  651.025   11.865  659.670   11.833 -8.645325 16.75725 
1 1 1   22   10    3 o  828.734   10.250  1859.80   45.896  1833.22   64.231  1887.52   65.604  822.693   14.448  834.775   14.544 -12.08209 20.50063 
1 1 1   22   10    4 o  638.669   8.2089  1103.75   28.328  1088.21   39.842  1119.63   40.287  634.122   11.627  643.216   11.591 -9.093018 16.41774 
1 1 1   22   10    5 o  763.628   9.5402  1578.48   39.359  1551.59   55.015  1606.67   56.332  756.974   13.450  770.283   13.534 -13.30823 19.08035 
1 1 1   22   10    6 o  106.010   10.533   30.404   6.0339   0.0000   0.0000   30.404   6.0339  ?   ?   106.010   10.533      ?      ? 
1 1 1   22   10    7 o  422.434   6.2567  482.719   14.278  470.657   20.232  494.685   20.152  417.170   8.9751  427.698   8.7196 -10.52798 12.51334 
1 1 1   22   10    8 o  701.301   12.590  1331.32   47.709   0.0000   0.0000  1331.32   47.709  ?   ?   701.301   12.590      ?      ? 
1 1 1   22   10    9 o  223.493   6.1356  134.676   7.2443  136.959   11.574  133.206   9.2887  225.026   9.5187  221.961   7.7444 3.064651 12.27116 
1 1 1   22   10   11 o  277.217   6.4149  161.465   8.3301  120.212   9.3552  319.369   18.303  210.842   8.2112  343.593   9.8580 -132.7518 12.82984 
1 1 1   22   10   12 o  369.664   5.8503  369.594   11.683  359.531   16.501  379.711   16.545  364.614   8.3750  374.715   8.1708 -10.10172 11.70058 
1 1 1   22   10   13 o  465.776   9.2868  586.850   23.374   0.0000   0.0000  586.850   23.374  ?   ?   465.776   9.2868      ?      ? 
1 1 1   22   10   14 o  306.973   7.7935  254.811   12.928   0.0000   0.0000  254.811   12.928  ?   ?   306.973   7.7935      ?      ? 
1 1 1   22   10   15 o  161.597   7.8460   70.616   6.8512   0.0000   0.0000   70.616   6.8512  ?   ?   161.597   7.8460      ?      ? 
1 1 1   22   10   16 o  719.769   12.878  1403.36   50.088   0.0000   0.0000  1403.36   50.088  ?   ?   719.769   12.878      ?      ? 
1 1 1   22   10   17 o  701.587   12.416  1333.49   47.072   0.0000   0.0000  1333.49   47.072  ?   ?   701.587   12.416      ?      ? 
1 1 1   22   10   18 o  629.274   11.270  1072.36   38.323   0.0000   0.0000  1072.36   38.323  ?   ?   629.274   11.270      ?      ? 
1 1 1   22   10   19 f  132.480   6.6880   47.458   4.7878   0.0000   0.0000   47.458   4.7878  ?   ?   132.480   6.6880      ?      ? 
1 1 1   22   10   20 o  394.676   5.8681  421.154   12.515   0.0000   0.0000  421.154   12.515  ?   ?   394.676   5.8681      ?      ? 
1 1 1   22   10   21 o  281.274   5.0352  213.885   7.6530   0.0000   0.0000  213.885   7.6530  ?   ?   281.274   5.0352      ?      ? 
1 1 1   22   10   22 o  233.607   4.7536  147.532   6.0007   0.0000   0.0000  147.532   6.0007  ?   ?   233.607   4.7536      ?      ? 
1 1 1   22   10   23 o  482.151   7.7398  629.117   20.165   0.0000   0.0000  629.117   20.165  ?   ?   482.151   7.7398      ?      ? 
1 1 1   22   10   24 o  168.306   5.5977   76.604   5.0909   0.0000   0.0000   76.604   5.0909  ?   ?   168.306   5.5977      ?      ? 
1 1 1   22   10   27 o  559.557   10.894  850.089   32.940   0.0000   0.0000  850.089   32.940  ?   ?   559.557   10.894      ?      ? 
1 1 1   22   10   28 o  339.498   8.8626  312.505   16.259   0.0000   0.0000  312.505   16.259  ?   ?   339.498   8.8626      ?      ? 
1 1 1   22   10   30 f  139.397   12.349   52.958   9.3021   0.0000   0.0000   52.958   9.3021  ?   ?   139.397   12.349      ?      ? 
1 1 1   22   10   32 o  184.100   5.6769   91.764   5.6475   0.0000   0.0000   91.764   5.6475  ?   ?   184.100   5.6769      ?      ? 
1 1 1   22   10   33 o  148.590   4.4901   59.741   3.6052   0.0000   0.0000   59.741   3.6052  ?   ?   148.590   4.4901      ?      ? 
1 1 1   22   10   34 o  542.174   8.3363  806.260   20.860  797.973   42.375  808.911   23.965  538.689   14.557  545.659   8.1277 -6.969910 16.67255 
1 1 1   22   10   35 o  394.773   7.2085  411.826   13.780  455.405   26.722  396.040   16.083  407.766   12.127  381.780   7.7959 25.98599 14.41705 
1 1 1   22   10   36 o  466.395   8.9497  592.382   22.555   0.0000   0.0000  592.382   22.555  ?   ?   466.395   8.9497      ?      ? 
1 1 1   22   10   37 f   88.597   8.5774   23.940   3.5123   16.779   6.0761   27.534   4.3043   76.585   15.219  100.610   7.9172 -24.02486 17.15489 
1 1 1   22   10   38 o   63.044   9.7740   13.564   3.3062   4.0352   5.9062   17.912   3.9899   45.087   17.293   81.001   9.1155 -35.91446 19.54804 
1 1 1   22   10   39 o   58.196   10.577   8.6138   3.2626   14.273   5.7351   5.9057   3.9671   70.235   15.524   46.158   14.369 24.07705 21.15353 
1 1 1   22   10   40 o  251.258   6.6935  171.694   9.0878   0.0000   0.0000  171.694   9.0878  ?   ?   251.258   6.6935      ?      ? 
1 1 1   22   10   41 o  144.811   5.6920   57.770   4.3874   53.993   6.6827   60.632   5.8166  140.463   8.8044  149.160   7.2166 -8.696838 11.38407 
1 1 1   22   10   42 o  108.457   6.9700   33.059   3.9579   29.011   6.1913   35.857   5.1469  102.443   11.184  114.470   8.3208 -12.02682 13.93998 
1 1 1   22   10   43 o   74.932   9.6071   15.841   3.6927   18.027   5.8547   14.398   4.7586   79.034   14.232   70.831   12.908 8.203140 19.21426 
1 1 1   22   10   44 o   94.282   7.6640   24.378   3.8799   27.034   5.9070   22.362   5.1456   98.698   11.076   89.866   10.596 8.831833 15.32807 
1 1 1   22   10   45 o   92.736   8.0216   23.333   3.9678   29.017   6.1695   19.324   5.1816  102.167   11.175   83.305   11.511 18.86221 16.04311 
1 1 1   22   10   46 o  172.822   5.3922   81.532   5.0241   88.119   7.4063   75.918   6.8379  179.251   7.6463  166.392   7.6051 12.85872 10.78442 
1 1 1   22   10   47 o   56.338   10.591   9.3931   3.8009   1.9760   5.6279   15.613   5.1538   39.519   16.294   73.157   13.536 -33.63844 21.18282 
1 1 1   22   10   48 o  181.426   5.4466   90.524   5.3369   86.942   7.5256   94.148   7.5698  177.760   7.8346  185.091   7.5685 -7.330887 10.89327 
1 1 1   22   10   49 o   67.272   11.410   13.760   4.1422   10.729   5.8907   16.723   5.8258   59.495   17.292   75.050   14.891 -15.55449 22.81986 
1 1 1   22   10   50 o  111.288   7.5505   34.748   4.5272   31.262   6.2812   38.518   6.5308  105.341   11.035  117.235   10.309 -11.89326 15.10105 
1 1 1   22   10   51 o   88.348   9.4325   22.519   4.5014   22.165   6.2636   22.897   6.4733   87.681   13.220   89.015   13.458 -1.333954 18.86495 
1 1 1   22   10   52 o   50.156   12.638   7.1839   4.4074   9.3513   6.1678   4.9223   6.3005   54.897   18.006   45.415   17.739 9.481773 25.27629 
1 1 1   22   10   53 o  201.393   8.2432  112.623   8.9708   0.0000   0.0000  112.623   8.9708  ?   ?   201.393   8.2432      ?      ? 
1 1 1   22   10   54 o   61.824   13.246   12.558   4.8184   13.312   6.6173   11.707   7.0297   63.842   18.261   59.806   19.193 4.036137 26.49252 
1 1 1   22   10   55 o  128.480   7.7033   47.930   5.3449   45.814   7.4279   50.203   7.6968  125.493   10.954  131.467   10.834 -5.974319 15.40667 
1 1 1   22   10   56 o   57.641   13.449   11.316   4.8691   11.834   6.8210   10.779   6.9529   58.859   18.908   56.423   19.131 2.435783 26.89838 
1 1 1   22   11    0 o  434.520   6.4364  510.823   15.107  496.243   21.424  525.241   21.305  428.344   9.2558  440.696   8.9465 -12.35245 12.87280 
1 1 1   22   11    2 o  312.954   5.7607  264.447   9.7179  270.041   14.318  259.668   13.233  316.012   8.3846  309.897   7.9020 6.114349 11.52146 
1 1 1   22   11    3 o  500.026   6.9470  676.323   18.768  661.630   26.486  691.140   26.598  494.566   9.9108  505.486   9.7376 -10.91943 13.89406 
1 1 1   22   11    5 o  143.883   7.2261   55.898   5.6105   57.952   8.1999   54.090   7.6932  146.361   10.368  141.406   10.068 4.955719 14.45217 
1 1 1   22   11    8 o  443.746   9.1130  532.590   21.852   0.0000   0.0000  532.590   21.852  ?   ?   443.746   9.1130      ?      ? 
1 1 1   22   11   10 o  207.632   6.4087  118.040   7.0385  108.941   10.905  124.538   9.2151  200.663   10.057  214.602   7.9466 -13.93991 12.81732 
1 1 1   22   11   11 o  796.121   14.107  1717.12   60.688   0.0000   0.0000  1717.12   60.688  ?   ?   796.121   14.107      ?      ? 
1 1 1   22   11   12 o  443.217   7.6102  528.641   17.593  520.517   22.072  542.793   29.131  438.662   9.3117  447.771   12.040 -9.109283 15.22050 
1 1 1   22   11   13 f  443.844   9.2140  532.897   22.099   0.0000   0.0000  532.897   22.099  ?   ?   443.844   9.2140      ?      ? 
1 1 1   22   11   14 o  770.773   9.6994  1609.67   40.395  1591.17   56.717  1628.70   57.546  766.283   13.697  775.262   13.737 -8.978882 19.39872 
1 1 1   22   11   15 o  387.195   6.0785  405.152   12.710  387.050   17.674  424.541   18.292  378.244   8.6474  396.146   8.5449 -17.90167 12.15699 
1 1 1   22   11   16 o  321.134   7.2822  278.901   12.637   0.0000   0.0000  278.901   12.637  ?   ?   321.134   7.2822      ?      ? 
1 1 1   22   11   17 o  318.242   6.5995  273.851   11.349   0.0000   0.0000  273.851   11.349  ?   ?   318.242   6.5995      ?      ? 
1 1 1   22   11   18 o  479.816   9.6909  623.158   25.126   0.0000   0.0000  623.158   25.126  ?   ?   479.816   9.6909      ?      ? 
1 1 1   22   11   19 o  156.621   7.8240   66.367   6.6217   0.0000   0.0000   66.367   6.6217  ?   ?   156.621   7.8240      ?      ? 
1 1 1   22   11   20 o  205.996   8.5040  114.861   9.4661   0.0000   0.0000  114.861   9.4661  ?   ?   205.996   8.5040      ?      ? 
1 1 1   22   11   21 o   88.618   8.1535   21.255   3.9044   0.0000   0.0000   21.255   3.9044  ?   ?    88.618   8.1535      ?      ? 
1 1 1   22   11   22 o  514.845   6.9483  717.127   19.331   0.0000   0.0000  717.127   19.331  ?   ?   514.845   6.9483      ?      ? 
1 1 1   22   11   23 o  355.316   7.0513  341.613   13.538   0.0000   0.0000  341.613   13.538  ?   ?   355.316   7.0513      ?      ? 
1 1 1   22   11   24 o  108.692   5.8631   31.956   3.4436   0.0000   0.0000   31.956   3.4436  ?   ?   108.692   5.8631      ?      ? 
1 1 1   22   11   25 o  502.348   7.5772  683.308   20.568   0.0000   0.0000  683.308   20.568  ?   ?   502.348   7.5772      ?      ? 
1 1 1   22   11   26 o   46.658   9.7333   6.1249   2.3746   0.0000   0.0000   6.1249   2.3746  ?   ?    46.658   9.7333      ?      ? 
1 1 1   22   11   27 o  368.177   5.6206  366.772   11.182   0.0000   0.0000  366.772   11.182  ?   ?   368.177   5.6206      ?      ? 
1 1 1   22   11   28 o  267.323   4.9254  193.313   7.1149   0.0000   0.0000  193.313   7.1149  ?   ?   267.323   4.9254      ?      ? 
1 1 1   22   11   29 o  188.864   4.6567   96.495   4.7524   0.0000   0.0000   96.495   4.7524  ?   ?   188.864   4.6567      ?      ? 
1 1 1   22   11   30 o   83.955   5.8347   19.085   2.6470   0.0000   0.0000   19.085   2.6470  ?   ?    83.955   5.8347      ?      ? 
1 1 1   22   11   31 o  359.814   5.9869  350.612   11.640   0.0000   0.0000  350.612   11.640  ?   ?   359.814   5.9869      ?      ? 
1 1 1   22   11   32 o  175.026   4.6467   82.899   4.3948   0.0000   0.0000   82.899   4.3948  ?   ?   175.026   4.6467      ?      ? 
1 1 1   22   11   33 o  122.403   4.8658   40.561   3.2184   0.0000   0.0000   40.561   3.2184  ?   ?   122.403   4.8658      ?      ? 
1 1 1   22   11   34 o   79.496   6.1192   17.134   2.6286   0.0000   0.0000   17.134   2.6286  ?   ?    79.496   6.1192      ?      ? 
1 1 1   22   11   35 o  151.725   6.5273   60.680   3.6057   65.541   10.145   59.977   3.8575  154.627   12.141  148.823   4.7968 5.803833 13.05455 
1 1 1   22   11   36 o  142.916   7.2295   53.229   4.4158   60.113   10.296   51.677   4.8883  147.850   12.887  137.982   6.5561 9.868042 14.45900 
1 1 1   22   11   37 o  177.071   5.1489   84.581   4.7887   88.169   7.8156   82.424   6.0593  179.927   8.0386  174.215   6.4365 5.711594 10.29789 
1 1 1   22   11   38 o  131.825   6.0766   48.908   4.0472   42.977   6.8617   52.073   5.0118  125.246   10.139  138.404   6.7012 -13.15825 12.15310 
1 1 1   22   11   39 o  155.786   6.8767   66.023   5.7889   0.0000   0.0000   66.023   5.7889  ?   ?   155.786   6.8767      ?      ? 
1 1 1   22   11   40 o   90.747   7.9047   21.702   3.7008   26.071   6.4686   19.576   4.5123   97.042   12.336   84.453   9.8877 12.58931 15.80935 
1 1 1   22   11   41 o  203.100   6.6625  112.356   7.3119   0.0000   0.0000  112.356   7.3119  ?   ?   203.100   6.6625      ?      ? 
1 1 1   22   11   42 o   57.896   11.291   9.7346   3.5138   9.7289   6.0991   9.7374   4.2988   57.948   17.780   57.844   13.921 0.1046066 22.58165 
1 1 1   22   11   43 o   43.077   11.520   3.7089   3.5227   5.8146   6.0636   2.6361   4.3281   48.506   17.739   37.648   14.703 10.85722 23.04051 
1 1 1   22   11   44 o  126.881   6.4807   45.226   4.3185   39.788   6.7046   49.083   5.6456  119.901   10.348  133.860   7.8050 -13.95843 12.96148 
1 1 1   22   11   45 o  135.003   6.2083   50.490   4.4579   48.403   6.8588   52.016   5.8658  132.326   9.5921  137.681   7.8844 -5.354828 12.41659 
1 1 1   22   11   46 o   62.705   11.507   11.651   3.8677   12.596   6.1656   11.037   4.9663   64.526   17.320   60.885   15.155 3.641228 23.01426 
1 1 1   22   11   47 o  138.877   8.4601   53.219   6.3488   0.0000   0.0000   53.219   6.3488  ?   ?   138.877   8.4601      ?      ? 
1 1 1   22   11   48 o   49.879   11.302   5.3458   4.0358   13.115   6.0208  -0.9932   5.4384   65.712   16.870   34.047   15.044 31.66565 22.60304 
1 1 1   22   11   49 o  128.638   7.1102   46.825   4.8555   37.451   6.9188   55.921   6.8157  115.320   11.103  141.956   8.8852 -26.63558 14.22044 
1 1 1   22   11   50 o  132.835   6.8468   49.129   4.9054   53.404   7.1537   45.335   6.7394  138.322   9.5708  127.348   9.7936 10.97392 13.69365 
1 1 1   22   11   51 o  152.530   6.4693   65.281   5.3221   63.797   7.7101   66.632   7.3555  150.677   9.4694  154.384   8.8170 -3.706818 12.93868 
1 1 1   22   11   52 o   68.731   12.650   15.178   4.8175   11.968   7.0887   17.934   6.5672   61.324   19.227   76.139   16.443 -14.81492 25.29906 
1 1 1   22   11   53 o   68.537   12.716   14.949   4.7790   16.584   6.8876   13.432   6.6363   72.257   17.765   64.816   18.200 7.441269 25.43271 
1 1 1   22   11   54 o   35.746   11.416  -1.0910   4.7109   0.4791   6.7488  -2.5830   6.5789   37.766   16.719   33.725   15.549 4.040913 22.83173 
1 1 1   22   11   55 o   61.872   13.033   12.770   4.8245   9.2552   6.8348   16.261   6.8110   53.667   18.931   70.077   17.917 -16.40981 26.06566 
1 1 1   22   11   56 o   58.085   13.402   11.878   4.9408   9.0729   6.9817   14.693   6.9928   51.853   19.024   64.316   18.882 -12.46312 26.80388 
1 1 1   22   12    0 o  472.798   10.114  599.272   25.707  536.712   34.402  678.378   38.685  445.142   14.302  500.454   14.305 -55.31158 20.22820 
1 1 1   22   12    1 o  543.945   9.3409  806.707   25.542  785.811   45.077  816.589   30.999  538.500   15.491  549.389   10.442 -10.88867 18.68177 
1 1 1   22   12    2 o  265.751   8.1265  190.972   11.670   0.0000   0.0000  190.972   11.670  ?   ?   265.751   8.1265      ?      ? 
1 1 1   22   12    3 o  532.861   7.3104  768.274   21.048  758.271   29.804  778.226   29.728  529.395   10.419  536.327   10.258 -6.932190 14.62085 
1 1 1   22   12    4 o  458.819   6.7497  569.656   16.729  557.846   23.799  581.190   23.519  454.108   9.6988  463.530   9.3897 -9.422089 13.49936 
1 1 1   22   12    6 o   79.547   12.543   17.799   5.2579   19.808   7.5975   15.952   7.2839   83.920   17.328   75.175   18.139 8.744400 25.08571 
1 1 1   22   12    8 o  109.890   9.1197   33.117   5.2708   42.613   7.5512   24.095   7.3606  125.480   11.137   94.301   14.445 31.17929 18.23935 
1 1 1   22   12   10 o  276.728   6.4364  207.344   9.4245  206.149   14.905  208.141   12.165  276.029   9.9929  277.427   8.1148 -1.397156 12.87272 
1 1 1   22   12   11 o  202.626   6.5289  112.361   7.0552  100.968   10.526  121.654   9.5066  193.166   10.084  212.085   8.2952 -18.91844 13.05778 
1 1 1   22   12   12 o  145.892   7.5800   57.635   5.9624   57.892   8.1739   57.342   8.7164  146.249   10.343  145.534   11.084 0.7146301 15.16000 
1 1 1   22   12   13 o  102.588   10.272   30.768   5.1408   42.190   7.1048   18.216   7.4477  124.839   10.532   80.338   17.639 44.50066 20.54421 
1 1 1   22   12   16 o   84.777   9.7007   19.253   4.1840   28.739   6.4896   12.506   5.4734  102.999   11.660   66.555   15.507 36.44357 19.40141 
1 1 1   22   12   17 o  219.904   7.2116  130.805   8.5694   0.0000   0.0000  130.805   8.5694  ?   ?   219.904   7.2116      ?      ? 
1 1 1   22   12   18 o  465.738   7.5947  586.904   19.114   0.0000   0.0000  586.904   19.114  ?   ?   465.738   7.5947      ?      ? 
1 1 1   22   12   19 o  439.395   6.3663  522.195   15.116   0.0000   0.0000  522.195   15.116  ?   ?   439.395   6.3663      ?      ? 
1 1 1   22   12   20 o  538.393   10.410  785.500   30.286   0.0000   0.0000  785.500   30.286  ?   ?   538.393   10.410      ?      ? 
1 1 1   22   12   21 o  345.888   7.5660  323.781   14.141   0.0000   0.0000  323.781   14.141  ?   ?   345.888   7.5660      ?      ? 
1 1 1   22   12   22 o  124.303   8.0372   41.832   5.3985   0.0000   0.0000   41.832   5.3985  ?   ?   124.303   8.0372      ?      ? 
1 1 1   22   12   23 o  242.771   5.8157  159.433   7.6293   0.0000   0.0000  159.433   7.6293  ?   ?   242.771   5.8157      ?      ? 
1 1 1   22   12   24 o   98.827   7.0755   26.441   3.7785   0.0000   0.0000   26.441   3.7785  ?   ?    98.827   7.0755      ?      ? 
1 1 1   22   12   25 o  172.050   5.0757   80.066   4.7188   0.0000   0.0000   80.066   4.7188  ?   ?   172.050   5.0757      ?      ? 
1 1 1   22   12   26 o  275.855   5.0769  205.847   7.5677   0.0000   0.0000  205.847   7.5677  ?   ?   275.855   5.0769      ?      ? 
1 1 1   22   12   27 o  467.518   7.2009  592.156   18.192   0.0000   0.0000  592.156   18.192  ?   ?   467.518   7.2009      ?      ? 
1 1 1   22   12   28 o  159.481   4.8833   68.818   4.2083   0.0000   0.0000   68.818   4.2083  ?   ?   159.481   4.8833      ?      ? 
1 1 1   22   12   29 o   68.039   7.5745   12.554   2.7848   0.0000   0.0000   12.554   2.7848  ?   ?    68.039   7.5745      ?      ? 
1 1 1   22   12   30 o  264.992   5.2329  190.068   7.4931   0.0000   0.0000  190.068   7.4931  ?   ?   264.992   5.2329      ?      ? 
1 1 1   22   12   31 o  135.480   6.4350   49.744   4.7110   0.0000   0.0000   49.744   4.7110  ?   ?   135.480   6.4350      ?      ? 
1 1 1   22   12   32 o  118.830   5.3053   38.243   3.4067   0.0000   0.0000   38.243   3.4067  ?   ?   118.830   5.3053      ?      ? 
1 1 1   22   12   33 f  132.942   5.1139   47.868   3.6737   0.0000   0.0000   47.868   3.6737  ?   ?   132.942   5.1139      ?      ? 
1 1 1   22   12   34 o  179.772   4.8208   87.519   4.6831   0.0000   0.0000   87.519   4.6831  ?   ?   179.772   4.8208      ?      ? 
1 1 1   22   12   35 o  127.633   7.7699   49.040   3.4538   38.874   9.4219   50.619   3.7122  118.577   14.705  136.690   5.0259 -18.11248 15.53972 
1 1 1   22   12   36 o  307.516   6.5566  256.529   9.8097  262.162   18.528  254.335   11.563  309.146   11.091  305.885   6.9958 3.260986 13.11311 
1 1 1   22   12   37 o  255.266   4.9819  178.017   6.8337  168.320   10.038  186.395   9.3298  248.652   7.4706  261.881   6.5930 -13.22931 9.963799 
1 1 1   22   12   38 f   96.695   7.5957   25.779   3.6236   25.448   6.6217   25.920   4.3294   95.920   12.775   97.469   8.2200 -1.548988 15.19133 
1 1 1   22   12   39 o  202.107   5.2398  112.743   5.6001  103.711   8.6677  119.214   7.3370  194.864   8.2316  209.350   6.4858 -14.48593 10.47970 
1 1 1   22   12   40 o  172.767   5.4903   83.334   4.9595   73.372   7.8017   90.090   6.4248  163.636   8.8231  181.897   6.5365 -18.26089 10.98058 
1 1 1   22   12   41 o   47.404   11.585   5.8004   3.3657   5.8407   6.3698   5.7849   3.9644   49.271   18.157   45.537   14.392 3.733685 23.16916 
1 1 1   22   12   42 o   62.286   11.064   11.767   3.5375   9.9581   6.4969   12.529   4.2175   58.509   18.417   66.063   12.266 -7.554283 22.12769 
1 1 1   22   12   43 o   55.192   11.647   8.8206   3.6009   8.7490   6.2923   8.8555   4.3911   55.418   18.187   54.966   14.554 0.4524193 23.29378 
1 1 1   22   12   44 o  154.351   5.7828   64.809   4.7266   68.528   7.5580   62.420   6.0572  157.732   8.8675  150.970   7.4250 6.761795 11.56559 
1 1 1   22   12   45 o  103.060   9.2613   29.361   5.1576   0.0000   0.0000   29.361   5.1576  ?   ?   103.060   9.2613      ?      ? 
1 1 1   22   12   46 o   93.899   8.2925   24.484   4.1060   26.177   6.6546   23.443   5.2176   96.136   12.810   91.663   10.534 4.472771 16.58496 
1 1 1   22   12   47 o   37.920   10.993   1.2544   3.8533  -3.5789   6.1100   4.4462   4.9653   32.857   15.088   42.984   15.993 -10.12723 21.98674 
1 1 1   22   12   48 o   88.418   9.5745   21.868   4.3004   32.094   6.7320   14.818   5.5894  106.585   11.688   70.252   15.168 36.33317 19.14908 
1 1 1   22   12   49 o   47.728   12.630   5.6883   4.3582   6.9043   6.6656   4.7803   5.7599   50.603   18.585   44.852   17.107 5.750237 25.25945 
1 1 1   22   12   50 o  124.325   7.3209   43.477   4.9007   46.128   7.3134   41.317   6.6023  127.612   10.606  121.037   10.095 6.575356 14.64179 
1 1 1   22   12   51 o   93.256   9.7951   26.014   4.7217   22.826   7.0564   28.598   6.3537   86.536   15.667   99.977   11.761 -13.44092 19.59023 
1 1 1   22   12   52 o   50.618   11.571   5.6896   4.6504  -4.9699   6.9285   14.429   6.2736   33.372   15.580   67.864   17.111 -34.49238 23.14123 
1 1 1   22   12   53 o   74.124   12.293   17.931   4.8484   21.696   7.2343   14.860   6.5326   81.638   16.953   66.609   17.807 15.02882 24.58633 
1 1 1   22   12   54 o   40.293   12.183   2.0251   4.7034   2.3562   6.8512   1.7300   6.4686   41.148   17.531   39.437   16.923 1.711555 24.36630 
1 1 1   22   12   55 o   47.660   13.077   6.7333   4.8843   4.7856   7.3023   8.3102   6.5705   44.770   18.519   50.550   18.469 -5.779266 26.15426 
1 1 1   22   13    0 o  396.665   13.139  426.126   28.163   0.0000   0.0000  426.126   28.163  ?   ?   396.665   13.139      ?      ? 
1 1 1   22   13    1 o  256.575   10.255  177.530   14.010  183.243   21.915  173.581   18.218  259.991   15.599  253.158   13.318 6.832687 20.51060 
1 1 1   22   13    2 f  143.803   16.169   57.699   11.955   54.302   18.759   60.023   15.513  138.938   25.940  148.669   19.310 -9.730682 32.33827 
1 1 1   22   13    3 f  690.315   11.071  1309.67   39.153  1234.23   65.976  1350.68   48.645  674.370   18.105  706.260   12.746 -31.88983 22.14198 
1 1 1   22   13    5 o  372.520   9.2128  375.375   18.545  375.375   18.545   0.0000   0.0000  372.520   9.2128  ?   ?       ?      ? 
1 1 1   22   13    6 o  456.836   9.4455  564.582   23.317   0.0000   0.0000  564.582   23.317  ?   ?   456.836   9.4455      ?      ? 
1 1 1   22   13    7 o  124.914   9.1586   42.643   6.1089   49.765   8.5939   35.369   8.6854  135.579   11.730  114.249   14.068 21.33018 18.31722 
1 1 1   22   13    8 o  439.737   6.6348  523.202   15.762  509.777   22.240  536.753   22.343  434.062   9.4818  445.413   9.2832 -11.35013 13.26962 
1 1 1   22   13    9 o  281.652   8.3573  214.585   12.719   0.0000   0.0000  214.585   12.719  ?   ?   281.652   8.3573      ?      ? 
1 1 1   22   13   11 o  134.015   8.3824   47.878   5.9868   60.698   9.0569   37.929   7.9784  149.715   11.195  118.316   12.479 31.39866 16.76477 
1 1 1   22   13   12 o  281.534   9.8488  214.527   14.983  214.527   14.983   0.0000   0.0000  281.534   9.8488  ?   ?       ?      ? 
1 1 1   22   13   13 o  135.856   8.1255   50.803   5.8686   57.691   8.0141   42.838   8.6175  145.985   10.159  125.728   12.684 20.25652 16.25102 
1 1 1   22   13   14 o  216.845   6.4185  127.491   7.4473  128.985   9.8972  125.540   11.307  218.339   8.3887  215.351   9.7169 2.987625 12.83696 
1 1 1   22   13   15 f  319.697   5.8747  276.254   10.142  285.394   14.681  267.911   14.027  324.746   8.3660  314.648   8.2497 10.09741 11.74942 
1 1 1   22   13   16 o  158.411   6.1068   67.613   5.1283   69.527   8.1300   66.348   6.6090  160.237   9.3894  156.585   7.8109 3.652023 12.21356 
1 1 1   22   13   17 o  425.452   7.4243  489.770   17.069   0.0000   0.0000  489.770   17.069  ?   ?   425.452   7.4243      ?      ? 
1 1 1   22   13   18 o  350.670   5.8472  332.554   11.080   0.0000   0.0000  332.554   11.080  ?   ?   350.670   5.8472      ?      ? 
1 1 1   22   13   19 o  208.506   5.9009  117.580   6.6486   0.0000   0.0000  117.580   6.6486  ?   ?   208.506   5.9009      ?      ? 
1 1 1   22   13   20 o  311.447   5.6415  262.335   9.4943   0.0000   0.0000  262.335   9.4943  ?   ?   311.447   5.6415      ?      ? 
1 1 1   22   13   21 o  106.001   8.2561   30.430   4.7290   0.0000   0.0000   30.430   4.7290  ?   ?   106.001   8.2561      ?      ? 
1 1 1   22   13   22 o  387.775   6.0142  406.843   12.602   0.0000   0.0000  406.843   12.602  ?   ?   387.775   6.0142      ?      ? 
1 1 1   22   13   23 o  177.323   5.6355   85.068   5.3999   0.0000   0.0000   85.068   5.3999  ?   ?   177.323   5.6355      ?      ? 
1 1 1   22   13   24 f  245.474   6.3722  163.106   8.4525   0.0000   0.0000  163.106   8.4525  ?   ?   245.474   6.3722      ?      ? 
1 1 1   22   13   25 o  450.065   8.8143  549.386   21.436   0.0000   0.0000  549.386   21.436  ?   ?   450.065   8.8143      ?      ? 
1 1 1   22   13   26 o  152.676   5.5581   63.089   4.5855   0.0000   0.0000   63.089   4.5855  ?   ?   152.676   5.5581      ?      ? 
1 1 1   22   13   27 o  313.249   5.7630  265.672   9.7550   0.0000   0.0000  265.672   9.7550  ?   ?   313.249   5.7630      ?      ? 
1 1 1   22   13   28 o  233.069   5.0153  147.003   6.3163   0.0000   0.0000  147.003   6.3163  ?   ?   233.069   5.0153      ?      ? 
1 1 1   22   13   29 f  264.121   5.1247  188.816   7.3141   0.0000   0.0000  188.816   7.3141  ?   ?   264.121   5.1247      ?      ? 
1 1 1   22   13   30 o  243.626   5.1779  160.696   6.8165   0.0000   0.0000  160.696   6.8165  ?   ?   243.626   5.1779      ?      ? 
1 1 1   22   13   31 o   46.433   11.357   6.1239   2.8260   0.0000   0.0000   6.1239   2.8260  ?   ?    46.433   11.357      ?      ? 
1 1 1   22   13   32 o  276.378   5.3727  206.944   8.0239   0.0000   0.0000  206.944   8.0239  ?   ?   276.378   5.3727      ?      ? 
1 1 1   22   13   33 o   38.452   12.001   4.0252   2.7654   0.0000   0.0000   4.0252   2.7654  ?   ?    38.452   12.001      ?      ? 
1 1 1   22   13   34 o  277.186   5.3788  208.247   8.0565   0.0000   0.0000  208.247   8.0565  ?   ?   277.186   5.3788      ?      ? 
1 1 1   22   13   35 o  179.360   6.0107   84.194   4.3436   93.108   10.873   82.501   4.7380  184.254   10.920  174.466   5.0258 9.788864 12.02134 
1 1 1   22   13   36 o  187.979   6.2456   87.978   4.4859  109.099   12.299   84.738   4.8178  199.170   11.428  176.788   5.0432 22.38191 12.49118 
1 1 1   22   13   37 o  107.256   9.1384   30.280   4.1239   34.414   9.8003   29.391   4.5460  110.712   16.382  103.801   8.1047 6.910530 18.27690 
1 1 1   22   13   38 o   31.272   10.056  -3.9123   3.2421   0.8895   6.3874  -5.5788   3.7628   40.418   17.060   22.126   10.652 18.29242 20.11203 
1 1 1   22   13   39 o  235.851   6.6525  151.504   8.4783   0.0000   0.0000  151.504   8.4783  ?   ?   235.851   6.6525      ?      ? 
1 1 1   22   13   40 o  109.055   7.3971   32.157   4.0334   34.551   7.3472   31.124   4.8255  111.499   12.195  106.611   8.3763 4.888374 14.79424 
1 1 1   22   13   41 f  234.747   6.7477  150.354   8.5594   0.0000   0.0000  150.354   8.5594  ?   ?   234.747   6.7477      ?      ? 
1 1 1   22   13   42 o  129.432   7.6274   45.855   5.3346   0.0000   0.0000   45.855   5.3346  ?   ?   129.432   7.6274      ?      ? 
1 1 1   22   13   43 o  305.227   7.3717  255.073   12.158   0.0000   0.0000  255.073   12.158  ?   ?   305.227   7.3717      ?      ? 
1 1 1   22   13   44 o  132.869   6.5695   49.772   4.5278   44.977   7.3144   52.751   5.7651  127.105   10.649  138.633   7.6958 -11.52761 13.13906 
1 1 1   22   13   45 o  240.632   7.0684  158.730   9.1910   0.0000   0.0000  158.730   9.1910  ?   ?   240.632   7.0684      ?      ? 
1 1 1   22   13   46 o   47.314   11.885   5.9952   3.9326   2.6054   6.5558   7.9007   4.9151   42.787   17.607   51.842   15.970 -9.055573 23.77093 
1 1 1   22   13   47 o   29.867   9.9259  -4.8520   3.8804  -4.4720   6.5123  -5.0611   4.8317   33.008   15.306   26.725   12.642 6.283335 19.85187 
1 1 1   22   13   48 o   88.426   10.039   24.018   4.4077   18.131   6.8924   28.091   5.7334   76.844   17.045  100.007   10.609 -23.16348 20.07701 
1 1 1   22   13   49 o  111.292   8.1510   35.091   4.8294   36.540   7.5569   34.090   6.2790  112.767   12.401  109.817   10.581 2.949791 16.30197 
1 1 1   22   13   50 o  113.479   8.1735   37.012   4.8668   35.886   7.7877   37.733   6.2341  111.257   12.954  115.701   9.9712 -4.443794 16.34697 
1 1 1   22   13   51 o  151.350   8.8552   63.864   7.2422   0.0000   0.0000   63.864   7.2422  ?   ?   151.350   8.8552      ?      ? 
1 1 1   22   13   52 o   54.928   13.106   9.7994   4.6479   8.2481   7.1850   10.916   6.0950   52.015   19.261   57.842   17.778 -5.826931 26.21210 
1 1 1   22   13   53 o  128.451   9.6926   50.182   6.1666   48.153   10.947   51.125   7.4634  123.679   16.380  133.223   10.367 -9.544334 19.38523 
1 1 1   22   13   54 f  122.835   10.174   44.835   6.5297   52.095   10.973   40.856   8.1247  128.834   15.762  116.837   12.869 11.99768 20.34855 
1 1 1   22   14    0 o  401.101   6.4211  435.319   13.914  427.299   19.760  443.205   19.596  397.430   9.2011  404.773   8.9590 -7.343109 12.84228 
1 1 1   22   14    1 o  664.357   8.6579  1195.28   31.080  1193.93   44.176  1196.60   43.735  663.977   12.312  664.736   12.176 -0.7590332 17.31588 
1 1 1   22   14    2 o  675.150   12.715  1234.40   46.317  1174.32   63.400  1303.15   67.829  657.611   17.841  692.689   18.121 -35.07794 25.43022 
1 1 1   22   14    3 o  794.148   14.420  1715.19   61.871  1685.14   86.683  1746.40   88.340  787.061   20.381  801.234   20.404 -14.17273 28.83948 
1 1 1   22   14    4 o  386.284   9.9557  405.470   20.729  378.153   29.602  431.757   29.038  373.431   14.670  399.136   13.464 -25.70520 19.91147 
1 1 1   22   14    5 o  499.220   9.9758  674.531   26.911   0.0000   0.0000  674.531   26.911  ?   ?   499.220   9.9758      ?      ? 
1 1 1   22   14    8 o  600.467   11.258  976.405   36.528   0.0000   0.0000  976.405   36.528  ?   ?   600.467   11.258      ?      ? 
1 1 1   22   14    9 o  109.415   10.039   32.469   5.9340   33.411   8.4007   31.531   8.3832  111.004   14.005  107.826   14.388 3.178223 20.07881 
1 1 1   22   14   10 o  397.632   6.4130  427.778   13.774  410.864   19.338  445.194   19.623  389.648   9.1843  405.616   8.9528 -15.96802 12.82590 
1 1 1   22   14   12 o  272.590   6.4638  203.144   9.4155  171.847   13.507  232.730   13.132  251.916   9.9221  293.264   8.2870 -41.34784 12.92758 
1 1 1   22   14   13 o  109.447   9.2452   32.607   5.4480   35.325   7.6401   29.795   7.7709  114.125   12.389  104.768   13.726 9.357651 18.49049 
1 1 1   22   14   14 o  215.607   6.6076  126.217   7.6274  128.462   10.172  123.333   11.528  217.839   8.6416  213.376   9.9981 4.463333 13.21513 
1 1 1   22   14   15 o  105.101   8.3020   29.244   4.6466   37.320   7.1701   23.398   6.1011  117.327   11.309   92.875   12.157 24.45204 16.60406 
1 1 1   22   14   16 o  248.320   5.7957  162.720   7.4033  180.405   12.860  153.953   9.0542  258.096   9.2207  238.543   7.0242 19.55322 11.59143 
1 1 1   22   14   17 o  473.114   7.8847  605.874   20.158   0.0000   0.0000  605.874   20.158  ?   ?   473.114   7.8847      ?      ? 
1 1 1   22   14   18 o  459.132   7.7849  570.641   19.314   0.0000   0.0000  570.641   19.314  ?   ?   459.132   7.7849      ?      ? 
1 1 1   22   14   19 o  370.627   7.0311  371.779   14.082   0.0000   0.0000  371.779   14.082  ?   ?   370.627   7.0311      ?      ? 
1 1 1   22   14   20 o  238.619   5.6871  154.032   7.3331   0.0000   0.0000  154.032   7.3331  ?   ?   238.619   5.6871      ?      ? 
1 1 1   22   14   21 o  435.553   6.4031  513.433   15.070   0.0000   0.0000  513.433   15.070  ?   ?   435.553   6.4031      ?      ? 
1 1 1   22   14   22 o  254.183   7.1657  174.963   9.8421   0.0000   0.0000  174.963   9.8421  ?   ?   254.183   7.1657      ?      ? 
1 1 1   22   14   23 o  201.422   5.7124  109.788   6.2174   0.0000   0.0000  109.788   6.2174  ?   ?   201.422   5.7124      ?      ? 
1 1 1   22   14   24 o  325.339   7.4968  286.840   13.180   0.0000   0.0000  286.840   13.180  ?   ?   325.339   7.4968      ?      ? 
1 1 1   22   14   25 o  209.165   5.5203  118.425   6.2394   0.0000   0.0000  118.425   6.2394  ?   ?   209.165   5.5203      ?      ? 
1 1 1   22   14   26 o   88.260   8.8053   21.151   4.1995   0.0000   0.0000   21.151   4.1995  ?   ?    88.260   8.8053      ?      ? 
1 1 1   22   14   27 o  477.120   7.4442  617.286   19.193   0.0000   0.0000  617.286   19.193  ?   ?   477.120   7.4442      ?      ? 
1 1 1   22   14   28 o  276.661   5.2869  207.221   7.9038   0.0000   0.0000  207.221   7.9038  ?   ?   276.661   5.2869      ?      ? 
1 1 1   22   14   29 o   97.712   7.1942   25.906   3.7986   0.0000   0.0000   25.906   3.7986  ?   ?    97.712   7.1942      ?      ? 
1 1 1   22   14   30 o  163.251   5.3349   72.193   4.7062   0.0000   0.0000   72.193   4.7062  ?   ?   163.251   5.3349      ?      ? 
1 1 1   22   14   31 o  118.573   5.9454   38.116   3.8094   0.0000   0.0000   38.116   3.8094  ?   ?   118.573   5.9454      ?      ? 
1 1 1   22   14   32 o   75.655   8.1153   15.569   3.3177   0.0000   0.0000   15.569   3.3177  ?   ?    75.655   8.1153      ?      ? 
1 1 1   22   14   33 o  158.697   5.1726   68.252   4.4357   0.0000   0.0000   68.252   4.4357  ?   ?   158.697   5.1726      ?      ? 
1 1 1   22   14   34 o  226.545   5.0185  139.119   6.1435   0.0000   0.0000  139.119   6.1435  ?   ?   226.545   5.0185      ?      ? 
1 1 1   22   14   35 o  256.808   5.3556  178.897   7.4320   0.0000   0.0000  178.897   7.4320  ?   ?   256.808   5.3556      ?      ? 
1 1 1   22   14   36 o  165.669   6.8148   74.420   4.5817   76.329   11.146   74.032   5.0260  166.194   12.411  165.144   5.6321 1.049789 13.62951 
1 1 1   22   14   37 o   45.825   12.416   2.3616   2.8214   9.7387   8.9687   1.5513   2.9723   60.822   21.662   30.829   12.141 29.99342 24.83215 
1 1 1   22   14   38 o  156.848   5.8684   67.757   4.7522   65.756   7.9325   68.877   5.9352  154.729   9.4874  158.968   6.9093 -4.239075 11.73672 
1 1 1   22   14   39 o  193.177   6.8031  101.732   7.1015   0.0000   0.0000  101.732   7.1015  ?   ?   193.177   6.8031      ?      ? 
1 1 1   22   14   40 o  265.653   6.9155  192.658   9.9272   0.0000   0.0000  192.658   9.9272  ?   ?   265.653   6.9155      ?      ? 
1 1 1   22   14   41 o  190.658   6.7850   99.233   6.9902   0.0000   0.0000   99.233   6.9902  ?   ?   190.658   6.7850      ?      ? 
1 1 1   22   14   42 o  240.299   6.8781  157.833   8.9312   0.0000   0.0000  157.833   8.9312  ?   ?   240.299   6.8781      ?      ? 
1 1 1   22   14   43 o  177.652   7.1853   86.451   6.8977   0.0000   0.0000   86.451   6.8977  ?   ?   177.652   7.1853      ?      ? 
1 1 1   22   14   44 o  185.481   5.7741   96.455   5.6634   84.271   8.5934  105.810   7.5300  174.505   9.1131  196.457   7.0932 -21.95152 11.54823 
1 1 1   22   14   45 o  135.606   8.3651   50.717   6.1297   0.0000   0.0000   50.717   6.1297  ?   ?   135.606   8.3651      ?      ? 
1 1 1   22   14   46 o  122.492   7.4349   43.307   4.7049   36.525   7.4773   47.753   6.0534  113.575   12.184  131.409   8.5248 -17.83367 14.86985 
1 1 1   22   14   47 o   30.732   10.238  -6.9646   4.1065  -1.0895   7.0258 -10.0133   5.0610   38.248   16.989   23.217   11.430 15.03061 20.47621 
1 1 1   22   14   48 f   70.386   11.548   16.493   4.4834   9.0764   7.2999   20.985   5.6812   55.207   19.555   85.565   12.287 -30.35842 23.09513 
1 1 1   22   14   49 f   30.988   10.186  -4.7568   4.2888 -12.2356   7.2777  -0.7776   5.3085   28.571   13.993   33.405   14.806 -4.833673 20.37197 
1 1 1   22   14   50 o  138.297   9.6229   56.359   6.4986   53.401   11.835   57.635   7.7756  133.457   16.412  143.138   10.053 -9.681152 19.24572 
1 1 1   22   14   51 o   41.439   12.777   1.2454   5.3043  -6.3401   10.446   3.8806   6.1572   40.048   18.835   42.830   17.271 -2.781990 25.55472 
1 1 1   22   14   52 o   58.349   13.736   12.402   5.8570   1.1840   10.840   17.027   6.9604   45.800   20.663   70.898   18.105 -25.09795 27.47263 
1 1 1   22   14   53 o  131.605   10.669   54.270   6.8813   50.113   12.234   56.194   8.3228  124.125   18.239  139.085   11.074 -14.96068 21.33785 
1 1 1   22   15    0 o  633.282   8.3954  1086.03   28.726  1063.97   40.258  1108.91   41.001  626.731   11.887  639.833   11.859 -13.10229 16.79085 
1 1 1   22   15    1 o  282.298   6.3623  215.101   9.6855  196.652   13.370  235.478   14.051  269.582   9.1778  295.013   8.8139 -25.43176 12.72463 
1 1 1   22   15    2 o  579.001   11.076  907.775   34.654   0.0000   0.0000  907.775   34.654  ?   ?   579.001   11.076      ?      ? 
1 1 1   22   15    3 o  294.809   8.6305  235.140   13.749   0.0000   0.0000  235.140   13.749  ?   ?   294.809   8.6305      ?      ? 
1 1 1   22   15    4 o  423.982   10.339  488.136   23.651  457.883   33.488  518.243   33.407  410.807   15.086  437.158   14.142 -26.35013 20.67774 
1 1 1   22   15    5 o  432.797   10.314  508.488   24.092  478.829   34.030  538.288   34.111  420.087   14.991  445.507   14.169 -25.42017 20.62793 
1 1 1   22   15    6 o  183.000   14.758   95.738   13.878   67.973   20.835  117.883   18.607  157.683   24.452  208.317   16.530 -50.63431 29.51520 
1 1 1   22   15    7 o  495.744   9.3137  675.501   22.825  643.694   41.264  689.524   27.399  486.843   15.685  504.644   10.047 -17.80035 18.62739 
1 1 1   22   15    8 o   95.295   11.649   25.133   5.8457   27.861   8.3044   22.453   8.2301  101.284   15.173   89.307   17.680 11.97726 23.29830 
1 1 1   22   15    9 o  296.510   6.1643  237.979   9.8665  238.003   14.281  237.956   13.647  296.512   8.9130  296.508   8.5178 0.4150391E-02 12.32859 
1 1 1   22   15   11 o  490.831   9.9801  652.617   26.470   0.0000   0.0000  652.617   26.470  ?   ?   490.831   9.9801      ?      ? 
1 1 1   22   15   12 o  318.929   8.5396  275.358   14.717   0.0000   0.0000  275.358   14.717  ?   ?   318.929   8.5396      ?      ? 
1 1 1   22   15   13 o  975.321   14.741  2587.29   73.007  2641.89  127.758  2560.82   88.963  980.962   24.102  969.680   16.978 11.28259 29.48143 
1 1 1   22   15   14 f  358.247   11.014  347.973   21.321   0.0000   0.0000  347.973   21.321  ?   ?   358.247   11.014      ?      ? 
1 1 1   22   15   15 o  610.951   11.039  1015.39   36.425  998.198   50.511  1034.01   52.575  605.619   15.435  616.283   15.787 -10.66449 22.07887 
1 1 1   22   15   16 o   40.375   16.653   1.2998   5.8813   0.0000   0.0000   1.2998   5.8813  ?   ?    40.375   16.653      ?      ? 
1 1 1   22   15   17 o  247.953   6.9789  166.406   9.3508   0.0000   0.0000  166.406   9.3508  ?   ?   247.953   6.9789      ?      ? 
1 1 1   22   15   18 o  391.137   6.3076  414.001   13.332   0.0000   0.0000  414.001   13.332  ?   ?   391.137   6.3076      ?      ? 
1 1 1   22   15   19 o  236.818   5.9567  151.754   7.6227   0.0000   0.0000  151.754   7.6227  ?   ?   236.818   5.9567      ?      ? 
1 1 1   22   15   20 o  172.739   6.4661   80.771   6.0356   0.0000   0.0000   80.771   6.0356  ?   ?   172.739   6.4661      ?      ? 
1 1 1   22   15   21 o  203.625   5.9700  112.220   6.5690   0.0000   0.0000  112.220   6.5690  ?   ?   203.625   5.9700      ?      ? 
1 1 1   22   15   22 o  165.154   6.4208   73.857   5.7302   0.0000   0.0000   73.857   5.7302  ?   ?   165.154   6.4208      ?      ? 
1 1 1   22   15   23 o  310.544   8.9897  261.828   15.085   0.0000   0.0000  261.828   15.085  ?   ?   310.544   8.9897      ?      ? 
1 1 1   22   15   24 o  165.638   6.1909   74.310   5.5412   0.0000   0.0000   74.310   5.5412  ?   ?   165.638   6.1909      ?      ? 
1 1 1   22   15   25 o  306.851   5.6754  254.926   9.4105   0.0000   0.0000  254.926   9.4105  ?   ?   306.851   5.6754      ?      ? 
1 1 1   22   15   26 o  286.611   5.8928  222.482   9.1264   0.0000   0.0000  222.482   9.1264  ?   ?   286.611   5.8928      ?      ? 
1 1 1   22   15   27 o  415.323   8.4819  468.677   19.036   0.0000   0.0000  468.677   19.036  ?   ?   415.323   8.4819      ?      ? 
1 1 1   22   15   28 o  252.504   5.4487  172.713   7.4345   0.0000   0.0000  172.713   7.4345  ?   ?   252.504   5.4487      ?      ? 
1 1 1   22   15   29 o  203.826   5.5506  112.575   6.1134   0.0000   0.0000  112.575   6.1134  ?   ?   203.826   5.5506      ?      ? 
1 1 1   22   15   30 o  121.415   6.6100   40.002   4.3367   0.0000   0.0000   40.002   4.3367  ?   ?   121.415   6.6100      ?      ? 
1 1 1   22   15   31 o  190.852   5.3417   98.713   5.5089   0.0000   0.0000   98.713   5.5089  ?   ?   190.852   5.3417      ?      ? 
1 1 1   22   15   32 o  113.454   6.6517   34.964   4.0779   0.0000   0.0000   34.964   4.0779  ?   ?   113.454   6.6517      ?      ? 
1 1 1   22   15   33 o  234.087   5.3701  148.624   6.7928   0.0000   0.0000  148.624   6.7928  ?   ?   234.087   5.3701      ?      ? 
1 1 1   22   15   34 f  187.232   5.1564   95.072   5.2170   0.0000   0.0000   95.072   5.2170  ?   ?   187.232   5.1564      ?      ? 
1 1 1   22   15   35 o  169.053   5.3829   77.556   4.9173   0.0000   0.0000   77.556   4.9173  ?   ?   169.053   5.3829      ?      ? 
1 1 1   22   15   36 o   32.666   10.405  -0.3677   2.8545  -5.1734   7.9175   0.3503   3.0603   37.199   17.116   28.132   11.838 9.066553 20.81064 
1 1 1   22   15   37 o  169.136   6.6384   73.967   4.3896   85.450   11.500   72.009   4.7492  175.458   12.130  162.814   5.3980 12.64423 13.27670 
1 1 1   22   15   38 o   92.427   10.845   23.125   4.2209   27.004   9.6325   22.204   4.6958   95.034   19.414   89.821   9.6747 5.212303 21.69066 
1 1 1   22   15   39 o   43.211   11.944   3.7649   3.7902   2.1099   7.2886   4.3784   4.4374   44.247   18.418   42.174   15.213 2.072521 23.88837 
1 1 1   22   15   40 o  150.030   6.4993   63.462   4.9841   57.072   8.3045   67.060   6.2310  143.479   10.711  156.582   7.3643 -13.10313 12.99859 
1 1 1   22   15   41 o   29.588   9.8742  -5.6396   4.0545 -12.6166   7.4255  -2.6757   4.8396   29.369   14.330   29.807   13.589 -0.4383640 19.74837 
1 1 1   22   15   42 o  211.676   7.3180  122.814   8.3706   0.0000   0.0000  122.814   8.3706  ?   ?   211.676   7.3180      ?      ? 
1 1 1   22   15   43 o   34.654   11.115  -5.0095   4.1321   2.4428   7.6838  -8.0414   4.9011   45.062   18.847   24.246   11.788 20.81568 22.22981 
1 1 1   22   15   44 o  122.843   9.0913   41.773   6.0348   0.0000   0.0000   41.773   6.0348  ?   ?   122.843   9.0913      ?      ? 
1 1 1   22   15   45 o  129.789   9.1283   46.748   6.4020   0.0000   0.0000   46.748   6.4020  ?   ?   129.789   9.1283      ?      ? 
1 1 1   22   15   46 o  133.167   12.121   59.745   6.1584   42.230   13.505   64.343   6.9197  113.894   22.740  152.441   8.4003 -38.54777 24.24184 
1 1 1   22   15   47 o   49.536   14.127   5.6230   5.5758  -2.7950   12.415   7.7500   6.2406   47.497   21.697   51.575   18.099 -4.077900 28.25449 
1 1 1   22   15   48 o   60.880   13.939   12.898   5.8148  -0.5158   12.372   16.700   6.5877   48.897   22.066   72.862   17.037 -23.96459 27.87787 
1 1 1   22   15   50 o   66.423   18.513   14.414   6.8932   0.0000   0.0000   14.414   6.8932  ?   ?    66.423   18.513      ?      ? 
1 1 1   22   15   51 o   78.812   12.008   21.329   5.0203   15.187   7.7721   25.726   6.5763   65.237   20.080   92.386   13.173 -27.14873 24.01515 
1 1 1   22   15   52 o  127.683   8.3887   49.607   5.5062   37.123   8.3346   59.275   7.3347  111.003   13.895  144.362   9.4025 -33.35927 16.77740 
1 1 1   22   15   53 o   32.591   10.539  -5.3068   4.7676 -17.5742   7.5566   2.8054   6.1449   25.652   12.846   39.531   16.711 -13.87868 21.07813 
1 1 1   22   16    0 o  395.102   6.5711  422.738   14.025  413.733   19.939  431.557   19.730  390.924   9.4387  399.280   9.1447 -8.356812 13.14213 
1 1 1   22   16    1 o   81.886   14.496   18.988   6.4726   23.244   9.2045   14.824   9.1036   90.661   19.376   73.111   21.567 17.54978 28.99270 
1 1 1   22   16    2 o  132.571   9.5842   47.687   6.8654   48.227   9.7758   47.162   9.6439  133.311   13.571  131.831   13.538 1.479279 19.16847 
1 1 1   22   16    3 o  593.392   11.302  954.335   36.241   0.0000   0.0000  954.335   36.241  ?   ?   593.392   11.302      ?      ? 
1 1 1   22   16    4 o  384.975   6.5178  401.367   13.549  399.031   19.512  403.541   18.827  383.876   9.4065  386.073   9.0245 -2.197296 13.03552 
1 1 1   22   16    5 o  358.087   8.9983  347.169   17.411   0.0000   0.0000  347.169   17.411  ?   ?   358.087   8.9983      ?      ? 
1 1 1   22   16    6 o  569.616   16.179  882.658   49.800   0.0000   0.0000  882.658   49.800  ?   ?   569.616   16.179      ?      ? 
1 1 1   22   16    7 o  283.607   11.328  219.203   17.184  215.856   26.123  221.757   22.815  281.552   17.170  285.662   14.780 -4.110229 22.65534 
1 1 1   22   16    8 o  362.296   10.775  357.466   20.892  295.946   29.045  423.423   30.074  329.778   16.299  394.815   14.097 -65.03720 21.54918 
1 1 1   22   16    9 o  270.478   11.548  200.282   16.775  179.572   24.127  219.662   23.340  256.731   17.392  284.226   15.197 -27.49500 23.09567 
1 1 1   22   16   10 o  646.814   12.059  1135.05   42.148   0.0000   0.0000  1135.05   42.148  ?   ?   646.814   12.059      ?      ? 
1 1 1   22   16   13 o  247.973   6.7415  164.222   8.9313  182.410   13.952  151.594   11.625  259.403   9.9535  236.543   9.0951 22.85942 13.48307 
1 1 1   22   16   14 o  298.572   6.5439  240.995   10.414  245.270   16.179  237.971   13.607  300.754   9.9555  296.390   8.4958 4.363983 13.08780 
1 1 1   22   16   15 o  334.867   7.4976  301.712   13.509  337.838   20.208  272.522   18.165  352.837   10.599  316.898   10.608 35.93890 14.99527 
1 1 1   22   16   16 o  438.503   9.0255  521.279   21.386   0.0000   0.0000  521.279   21.386  ?   ?   438.503   9.0255      ?      ? 
1 1 1   22   16   17 o  243.623   6.3082  160.639   8.3045   0.0000   0.0000  160.639   8.3045  ?   ?   243.623   6.3082      ?      ? 
1 1 1   22   16   18 o  329.234   6.0379  293.361   10.742   0.0000   0.0000  293.361   10.742  ?   ?   329.234   6.0379      ?      ? 
1 1 1   22   16   19 o  117.141   9.0309   37.226   5.7165   0.0000   0.0000   37.226   5.7165  ?   ?   117.141   9.0309      ?      ? 
1 1 1   22   16   20 o  242.786   7.5009  159.753   9.8407   0.0000   0.0000  159.753   9.8407  ?   ?   242.786   7.5009      ?      ? 
1 1 1   22   16   21 o  380.508   6.2303  392.119   12.810   0.0000   0.0000  392.119   12.810  ?   ?   380.508   6.2303      ?      ? 
1 1 1   22   16   22 o  318.042   7.6394  274.316   13.129   0.0000   0.0000  274.316   13.129  ?   ?   318.042   7.6394      ?      ? 
1 1 1   22   16   23 o  183.394   7.8184   91.231   7.7481   0.0000   0.0000   91.231   7.7481  ?   ?   183.394   7.8184      ?      ? 
1 1 1   22   16   24 o  214.240   7.5916  124.506   8.7886   0.0000   0.0000  124.506   8.7886  ?   ?   214.240   7.5916      ?      ? 
1 1 1   22   16   25 o   40.963   15.294   3.5272   4.5486   0.0000   0.0000   3.5272   4.5486  ?   ?    40.963   15.294      ?      ? 
1 1 1   22   16   26 o  106.437   8.4198   30.796   4.8426   0.0000   0.0000   30.796   4.8426  ?   ?   106.437   8.4198      ?      ? 
1 1 1   22   16   27 o  138.242   6.9382   51.866   5.1829   0.0000   0.0000   51.866   5.1829  ?   ?   138.242   6.9382      ?      ? 
1 1 1   22   16   28 o  182.885   5.9423   90.680   5.8725   0.0000   0.0000   90.680   5.8725  ?   ?   182.885   5.9423      ?      ? 
1 1 1   22   16   29 o  216.950   5.5196  127.569   6.4707   0.0000   0.0000  127.569   6.4707  ?   ?   216.950   5.5196      ?      ? 
1 1 1   22   16   30 o  235.760   5.7302  150.737   7.3000   0.0000   0.0000  150.737   7.3000  ?   ?   235.760   5.7302      ?      ? 
1 1 1   22   16   31 o  101.950   7.8382   28.305   4.3181   0.0000   0.0000   28.305   4.3181  ?   ?   101.950   7.8382      ?      ? 
1 1 1   22   16   32 o  161.645   5.8206   70.926   5.0841   0.0000   0.0000   70.926   5.0841  ?   ?   161.645   5.8206      ?      ? 
1 1 1   22   16   33 o   99.702   7.5118   27.078   4.0470   0.0000   0.0000   27.078   4.0470  ?   ?    99.702   7.5118      ?      ? 
1 1 1   22   16   34 o   47.358   13.252   6.4099   3.5247   0.0000   0.0000   6.4099   3.5247  ?   ?    47.358   13.252      ?      ? 
1 1 1   22   16   35 o   86.921   10.546   20.820   4.9531   0.0000   0.0000   20.820   4.9531  ?   ?    86.921   10.546      ?      ? 
1 1 1   22   16   36 o   45.470   13.128   5.9026   3.4057   0.0000   0.0000   5.9026   3.4057  ?   ?    45.470   13.128      ?      ? 
1 1 1   22   16   37 o  181.602   6.7148   88.272   4.8556   94.550   12.209   87.092   5.2921  184.219   12.264  178.985   5.4717 5.234085 13.42956 
1 1 1   22   16   38 o  226.576   6.3981  147.333   6.1469  131.216   13.611  151.462   6.8895  217.150   11.600  236.003   5.4024 -18.85277 12.79619 
1 1 1   22   16   39 o   86.697   11.631   19.453   4.3856   26.734   9.9838   17.712   4.8818   93.603   20.321   79.790   11.322 13.81308 23.26279 
1 1 1   22   16   40 o   97.010   9.6491   27.665   4.3560   25.210   8.0850   28.669   5.1706   92.150   16.858  101.869   9.3930 -9.719505 19.29813 
1 1 1   22   16   41 o  154.720   7.8433   65.771   6.5574   0.0000   0.0000   65.771   6.5574  ?   ?   154.720   7.8433      ?      ? 
1 1 1   22   16   42 o  117.623   13.796   51.616   5.8292   28.468   13.726   56.709   6.4386   91.831   26.311  143.415   8.3083 -51.58373 27.59127 
1 1 1   22   16   43 o   50.309   15.101   2.9497   5.4216   6.2973   13.770   2.3356   5.8981   59.861   25.145   40.757   16.728 19.10332 30.20101 
1 1 1   22   16   44 o   89.011   15.142   27.992   6.1424   18.793   14.860   29.887   6.7456   75.339   27.737  102.683   12.157 -27.34344 30.28427 
1 1 1   22   16   45 o   69.408   13.573   17.646   6.0006  -1.9926   13.870   22.169   6.6558   51.230   23.219   87.587   14.063 -36.35692 27.14548 
1 1 1   22   16   46 o   71.618   12.475   20.177   6.1993  -8.5315   13.415   27.973   6.9905   44.932   21.196   98.304   13.160 -53.37230 24.94927 
1 1 1   22   16   47 o   93.661   11.220   27.770   5.1977   22.165   8.3937   31.257   6.6195   82.870   19.132  104.451   11.728 -21.58064 22.44021 
1 1 1   22   16   49 o  135.204   10.888   52.297   7.9545   0.0000   0.0000   52.297   7.9545  ?   ?   135.204   10.888      ?      ? 
1 1 1   22   16   50 o   41.570   18.473   1.0339   8.3143   1.0339   8.3143   0.0000   0.0000   41.570   18.473  ?   ?       ?      ? 
1 1 1   22   16   51 o  113.212   9.7799   39.077   5.8637   34.399   8.7909   42.826   7.8703  105.634   15.401  120.789   12.058 -15.15485 19.55971 
1 1 1   22   16   52 o   43.472   12.310  -2.5163   5.3756   13.913   8.3580 -14.1073   7.0203   60.986   20.971   25.957   12.900 35.02977 24.62070 
1 1 1   22   17    0 o  287.353   9.1769  223.607   14.249   0.0000   0.0000  223.607   14.249  ?   ?   287.353   9.1769      ?      ? 
1 1 1   22   17    1 o  365.793   6.5007  362.357   12.839  362.300   18.536  362.409   17.800  365.748   9.3788  365.837   9.0041 -0.8950806E-01 13.00137 
1 1 1   22   17    2 o  350.529   6.4836  332.262   12.266  342.333   17.876  323.301   16.863  355.529   9.3050  345.529   9.0314 9.999939 12.96726 
1 1 1   22   17    3 o  156.553   12.198   66.495   10.319   0.0000   0.0000   66.495   10.319  ?   ?   156.553   12.198      ?      ? 
1 1 1   22   17    4 o  444.175   6.9176  534.339   16.593  538.787   23.942  530.229   23.017  445.934   9.9359  442.416   9.6277 3.517761 13.83528 
1 1 1   22   17    5 o   96.929   12.318   26.044   6.3140   24.772   8.9451   27.307   8.9136   93.719   18.320  100.138   16.473 -6.419014 24.63654 
1 1 1   22   17    6 o  181.543   7.6617   89.428   7.5099   92.741   10.559   86.037   10.684  184.964   10.564  178.122   11.100 6.841202 15.32343 
1 1 1   22   17    7 o  498.218   7.3471  672.855   19.768  673.649   28.465  672.116   27.472  498.473   10.568  497.963   10.210 0.5106201 14.69414 
1 1 1   22   17    8 o  312.783   6.4081  264.788   10.814  269.169   15.788  260.915   14.843  315.199   9.2696  310.366   8.8506 4.832825 12.81628 
1 1 1   22   17    9 o  475.866   15.260  616.667   39.239   0.0000   0.0000  616.667   39.239  ?   ?   475.866   15.260      ?      ? 
1 1 1   22   17   10 o  180.414   16.242   88.755   15.570   94.279   24.653   85.090   20.082  184.776   24.690  176.052   21.109 8.724167 32.48403 
1 1 1   22   17   11 o  198.957   15.960  114.178   16.299   86.779   25.296  133.626   21.312  176.865   26.469  221.050   17.842 -44.18529 31.92082 
1 1 1   22   17   12 o  388.819   11.151  413.516   23.289  403.153   34.630  422.072   31.468  384.131   16.684  393.507   14.799 -9.376190 22.30140 
1 1 1   22   17   13 o  251.749   6.6054  169.530   8.9244  196.488   13.552  148.890   11.859  269.181   9.3172  234.316   9.3657 34.86554 13.21086 
1 1 1   22   17   14 o  620.992   9.7627  1061.46   31.607  1007.88   51.307  1094.24   40.126  607.503   15.629  634.481   11.703 -26.97833 19.52545 
1 1 1   22   17   15 o  483.347   13.129  636.261   34.290  636.261   34.290   0.0000   0.0000  483.347   13.129  ?   ?       ?      ? 
1 1 1   22   17   16 o  372.258   8.4835  375.737   17.065   0.0000   0.0000  375.737   17.065  ?   ?   372.258   8.4835      ?      ? 
1 1 1   22   17   17 o  420.023   7.3936  478.044   16.781   0.0000   0.0000  478.044   16.781  ?   ?   420.023   7.3936      ?      ? 
1 1 1   22   17   18 o  538.290   11.099  788.548   32.285   0.0000   0.0000  788.548   32.285  ?   ?   538.290   11.099      ?      ? 
1 1 1   22   17   19 o  185.048   7.9230   92.886   7.9225   0.0000   0.0000   92.886   7.9225  ?   ?   185.048   7.9230      ?      ? 
1 1 1   22   17   20 o  298.626   6.0166  241.501   9.7088   0.0000   0.0000  241.501   9.7088  ?   ?   298.626   6.0166      ?      ? 
1 1 1   22   17   21 o  285.821   6.0671  221.254   9.3706   0.0000   0.0000  221.254   9.3706  ?   ?   285.821   6.0671      ?      ? 
1 1 1   22   17   22 o  325.399   7.8416  287.328   13.788   0.0000   0.0000  287.328   13.788  ?   ?   325.399   7.8416      ?      ? 
1 1 1   22   17   23 o  118.340   8.5982   38.056   5.4983   0.0000   0.0000   38.056   5.4983  ?   ?   118.340   8.5982      ?      ? 
1 1 1   22   17   24 f  126.523   8.0842   43.497   5.5271   0.0000   0.0000   43.497   5.5271  ?   ?   126.523   8.0842      ?      ? 
1 1 1   22   17   25 o  117.800   11.576   37.961   7.3689   0.0000   0.0000   37.961   7.3689  ?   ?   117.800   11.576      ?      ? 
1 1 1   22   17   26 o  410.329   7.0003  457.077   15.522   0.0000   0.0000  457.077   15.522  ?   ?   410.329   7.0003      ?      ? 
1 1 1   22   17   27 o  299.587   6.2529  243.469   10.123   0.0000   0.0000  243.469   10.123  ?   ?   299.587   6.2529      ?      ? 
1 1 1   22   17   28 o  138.903   7.0089   52.415   5.2608   0.0000   0.0000   52.415   5.2608  ?   ?   138.903   7.0089      ?      ? 
1 1 1   22   17   29 o  198.141   9.4456  107.265   10.113   0.0000   0.0000  107.265   10.113  ?   ?   198.141   9.4456      ?      ? 
1 1 1   22   17   30 o  143.834   6.7558   56.243   5.2508   0.0000   0.0000   56.243   5.2508  ?   ?   143.834   6.7558      ?      ? 
1 1 1   22   17   31 o   83.664   9.8080   19.172   4.4341   0.0000   0.0000   19.172   4.4341  ?   ?    83.664   9.8080      ?      ? 
1 1 1   22   17   32 o   43.115   14.750   4.8213   4.1332   0.0000   0.0000   4.8213   4.1332  ?   ?    43.115   14.750      ?      ? 
1 1 1   22   17   33 o  209.401   5.5863  119.104   6.3211   0.0000   0.0000  119.104   6.3211  ?   ?   209.401   5.5863      ?      ? 
1 1 1   22   17   34 o  312.406   6.0350  265.471   10.188   0.0000   0.0000  265.471   10.188  ?   ?   312.406   6.0350      ?      ? 
1 1 1   22   17   35 o  341.778   6.1935  317.968   11.438   0.0000   0.0000  317.968   11.438  ?   ?   341.778   6.1935      ?      ? 
1 1 1   22   17   36 o  148.812   6.0918   60.314   4.8986   0.0000   0.0000   60.314   4.8986  ?   ?   148.812   6.0918      ?      ? 
1 1 1   22   17   37 o  238.301   7.2392  155.233   9.3219   0.0000   0.0000  155.233   9.3219  ?   ?   238.301   7.2392      ?      ? 
1 1 1   22   17   38 o   29.196   12.666  -0.3243   3.7016   0.0000   0.0000  -0.3243   3.7016  ?   ?    29.196   12.666      ?      ? 
1 1 1   22   17   40 o   53.908   14.942   2.8445   4.8894   15.885   12.543   0.5081   5.3093   71.749   25.610   36.068   15.401 35.68036 29.88434 
1 1 1   22   17   41 o   59.057   14.159   10.792   5.1326   2.5180   12.328   12.527   5.6452   53.710   23.207   64.404   16.228 -10.69446 28.31822 
1 1 1   22   17   42 o  141.163   10.838   62.179   6.7220   48.874   13.486   66.577   7.7538  127.337   19.600  154.989   9.2582 -27.65253 21.67665 
1 1 1   22   17   43 o  159.047   7.1754   73.315   5.9112   58.448   9.1293   84.047   7.7569  143.728   11.755  174.367   8.2326 -30.63835 14.35081 
1 1 1   22   17   44 o   49.425   13.126   6.3398   4.7373   4.2883   7.8637   7.5085   5.9351   47.711   19.418   51.138   17.667 -3.427673 26.25171 
1 1 1   22   17   45 o   38.805   11.707  -0.2079   4.7873  -8.5365   7.7963   4.8330   6.0654   32.628   15.609   44.983   17.451 -12.35514 23.41307 
1 1 1   22   17   46 o  193.309   8.1363  103.844   8.4990   0.0000   0.0000  103.844   8.4990  ?   ?   193.309   8.1363      ?      ? 
1 1 1   22   17   47 o  213.967   8.4222  127.263   9.7378   0.0000   0.0000  127.263   9.7378  ?   ?   213.967   8.4222      ?      ? 
1 1 1   22   17   48 o  200.674   6.7496  114.070   7.0569   78.314   9.6120  155.878   10.394  165.263   10.763  236.086   8.1472 -70.82301 13.49920 
1 1 1   22   17   49 o  181.982   8.9071   94.082   8.7590   0.0000   0.0000   94.082   8.7590  ?   ?   181.982   8.9071      ?      ? 
1 1 1   22   17   50 o   33.805   11.012  -6.8555   5.3019 -20.5998   8.3940   2.2674   6.8387   26.764   13.422   40.846   17.461 -14.08196 22.02363 
1 1 1   22   17   51 o   49.722   15.494   5.2969   7.2411   4.2114   8.3735   8.5158   14.419   44.930   19.267   54.513   24.270 -9.582481 30.98768 
1 1 1   22   18    0 o  345.227   9.0564  322.887   16.895   0.0000   0.0000  322.887   16.895  ?   ?   345.227   9.0564      ?      ? 
1 1 1   22   18    1 o  169.055   7.9481   77.108   7.2385   69.854   9.8457   85.640   10.679  160.444   11.356  177.665   11.123 -17.22176 15.89616 
1 1 1   22   18    2 o  128.757   10.048   45.061   6.9841   47.933   10.033   42.362   9.7281  132.746   13.987  124.767   14.429 7.979286 20.09566 
1 1 1   22   18    3 o  447.216   6.9379  542.227   16.764  541.627   23.897  542.809   23.523  446.959   9.8944  447.472   9.7282 -0.5130005 13.87580 
1 1 1   22   18    4 o  535.200   7.6272  777.251   22.056  764.449   31.192  790.052   31.192  530.773   10.875  539.626   10.697 -8.852905 15.25438 
1 1 1   22   18    5 o  425.613   9.5757  491.116   22.023   0.0000   0.0000  491.116   22.023  ?   ?   425.613   9.5757      ?      ? 
1 1 1   22   18    6 o  164.344   7.9878   73.075   7.0808   68.669   9.6753   78.156   10.391  159.031   11.259  169.656   11.334 -10.62474 15.97561 
1 1 1   22   18    7 o  425.555   6.8728  491.037   15.794  494.282   22.795  488.041   21.903  426.879   9.8821  424.230   9.5544 2.649292 13.74565 
1 1 1   22   18    9 o  297.704   8.9380  240.277   14.378   0.0000   0.0000  240.277   14.378  ?   ?   297.704   8.9380      ?      ? 
1 1 1   22   18   10 o  126.005   9.4693   43.246   6.3925   51.011   9.2342   36.101   8.8582  136.933   12.480  115.077   14.245 21.85654 18.93866 
1 1 1   22   18   11 o  363.952   6.5299  358.902   12.830  367.758   18.639  350.928   17.686  368.193   9.3681  359.710   9.0991 8.482391 13.05971 
1 1 1   22   18   12 o  497.947   15.745  677.928   42.367   0.0000   0.0000  677.928   42.367  ?   ?   497.947   15.745      ?      ? 
1 1 1   22   18   13 o  320.101   11.929  280.920   20.419  280.405   31.176  281.306   27.021  319.511   18.057  320.691   15.593 -1.179962 23.85782 
1 1 1   22   18   15 o   80.879   23.288   18.684   10.730   0.0000   0.0000   18.684   10.730  ?   ?    80.879   23.288      ?      ? 
1 1 1   22   18   16 o  260.288   18.220  186.892   25.627   0.0000   0.0000  186.892   25.627  ?   ?   260.288   18.220      ?      ? 
1 1 1   22   18   17 o   36.016   16.256  -3.4276   6.7181   0.0000   0.0000  -3.4276   6.7181  ?   ?    36.016   16.256      ?      ? 
1 1 1   22   18   18 o  190.418   9.6993   98.563   9.9802   0.0000   0.0000   98.563   9.9802  ?   ?   190.418   9.6993      ?      ? 
1 1 1   22   18   19 o   49.950   17.430   6.1748   5.7839   0.0000   0.0000   6.1748   5.7839  ?   ?    49.950   17.430      ?      ? 
1 1 1   22   18   20 o  424.517   10.044  490.572   23.040   0.0000   0.0000  490.572   23.040  ?   ?   424.517   10.044      ?      ? 
1 1 1   22   18   21 o   74.611   14.178   15.774   5.5072   0.0000   0.0000   15.774   5.5072  ?   ?    74.611   14.178      ?      ? 
1 1 1   22   18   22 o  158.116   7.3842   67.877   6.3091   0.0000   0.0000   67.877   6.3091  ?   ?   158.116   7.3842      ?      ? 
1 1 1   22   18   23 f  104.923   9.7256   30.009   5.5141   0.0000   0.0000   30.009   5.5141  ?   ?   104.923   9.7256      ?      ? 
1 1 1   22   18   24 f  166.403   12.432   75.949   11.179   0.0000   0.0000   75.949   11.179  ?   ?   166.403   12.432      ?      ? 
1 1 1   22   18   25 f  295.958   5.8992  237.507   9.4344   0.0000   0.0000  237.507   9.4344  ?   ?   295.958   5.8992      ?      ? 
1 1 1   22   18   26 o  294.013   7.6086  235.071   12.088   0.0000   0.0000  235.071   12.088  ?   ?   294.013   7.6086      ?      ? 
1 1 1   22   18   27 o  124.086   8.1876   41.951   5.4899   0.0000   0.0000   41.951   5.4899  ?   ?   124.086   8.1876      ?      ? 
1 1 1   22   18   28 f  220.180   6.3163  131.689   7.5150   0.0000   0.0000  131.689   7.5150  ?   ?   220.180   6.3163      ?      ? 
1 1 1   22   18   29 o  211.830   5.9977  121.855   6.8654   0.0000   0.0000  121.855   6.8654  ?   ?   211.830   5.9977      ?      ? 
1 1 1   22   18   30 o  128.919   7.4317   45.278   5.1772   0.0000   0.0000   45.278   5.1772  ?   ?   128.919   7.4317      ?      ? 
1 1 1   22   18   31 o  100.715   12.734   28.143   6.9300   0.0000   0.0000   28.143   6.9300  ?   ?   100.715   12.734      ?      ? 
1 1 1   22   18   32 o   57.616   14.468   9.6628   4.4983   0.0000   0.0000   9.6628   4.4983  ?   ?    57.616   14.468      ?      ? 
1 1 1   22   18   33 o  122.814   8.2107   41.275   5.4490   0.0000   0.0000   41.275   5.4490  ?   ?   122.814   8.2107      ?      ? 
1 1 1   22   18   34 o  182.720   6.6390   91.036   6.5550   0.0000   0.0000   91.036   6.5550  ?   ?   182.720   6.6390      ?      ? 
1 1 1   22   18   35 o   51.034   14.873   7.5522   4.3527   0.0000   0.0000   7.5522   4.3527  ?   ?    51.034   14.873      ?      ? 
1 1 1   22   18   36 o  121.835   7.6529   40.646   5.0383   0.0000   0.0000   40.646   5.0383  ?   ?   121.835   7.6529      ?      ? 
1 1 1   22   18   37 o   35.866   14.221   2.1938   4.1032   0.0000   0.0000   2.1938   4.1032  ?   ?    35.866   14.221      ?      ? 
1 1 1   22   18   38 o  120.460   9.5798   40.209   4.5768   42.545   11.436   39.763   4.9942  120.562   17.554  120.358   7.6790 0.2038574 19.15969 
1 1 1   22   18   39 o   94.204   11.156   24.191   3.9664   28.986   10.391   23.373   4.2914   96.393   20.576   92.015   8.6308 4.378395 22.31294 
1 1 1   22   18   40 o   43.617   13.010   2.2004   4.6893   1.7707   9.4201   2.3420   5.4068   47.701   20.445   39.533   16.096 8.168007 26.02072 
1 1 1   22   18   41 f  235.560   7.4593  152.523   9.4948   0.0000   0.0000  152.523   9.4948  ?   ?   235.560   7.4593      ?      ? 
1 1 1   22   18   42 o   81.907   11.973   22.428   4.9103   14.165   8.4498   26.641   6.0336   66.736   21.003   97.078   11.502 -30.34262 23.94593 
1 1 1   22   18   43 o   40.308   12.278   0.9768   4.6636   0.7812   7.9211   1.0806   5.7695   42.704   18.527   37.912   16.118 4.791752 24.55699 
1 1 1   22   18   44 o  192.127   6.4940  104.590   6.5681   97.951   10.330  109.096   8.5099  186.078   10.273  198.175   7.9467 -12.09729 12.98804 
1 1 1   22   18   45 o  114.916   10.807   44.029   5.6397   24.913   8.9999   56.388   7.2368   88.008   19.443  141.825   9.4428 -53.81710 21.61476 
1 1 1   22   18   46 o  190.212   6.4818   98.005   6.5410  118.403   10.551   85.272   8.3363  205.553   9.4989  174.871   8.8219 30.68184 12.96367 
1 1 1   22   18   47 o   51.521   13.646   8.1734   5.2000   5.9132   8.0942   9.7618   6.7854   48.408   19.701   54.633   18.889 -6.225052 27.29299 
1 1 1   22   18   48 o  160.282   18.479   83.874   16.004   0.0000   0.0000   83.874   16.004  ?   ?   160.282   18.479      ?      ? 
1 1 1   22   18   49 o   62.650   17.220   12.543   7.4093   9.4939   8.5269   21.941   14.970   54.119   20.773   71.182   27.471 -17.06314 34.44051 
1 1 1   22   19    0 o  242.446   9.8794  159.477   12.943   0.0000   0.0000  159.477   12.943  ?   ?   242.446   9.8794      ?      ? 
1 1 1   22   19    1 o  301.752   9.2534  246.922   15.088   0.0000   0.0000  246.922   15.088  ?   ?   301.752   9.2534      ?      ? 
1 1 1   22   19    2 o  100.109   12.912   28.095   6.7770   33.610   9.6740   22.780   9.4967  110.903   16.143   89.314   20.156 21.58907 25.82324 
1 1 1   22   19    3 o  334.011   9.2227  302.561   16.646   0.0000   0.0000  302.561   16.646  ?   ?   334.011   9.2227      ?      ? 
1 1 1   22   19    5 o  176.963   7.7809   85.094   7.4349   85.388   10.327   84.778   10.713  177.300   10.779  176.626   11.224 0.6737213 15.56188 
1 1 1   22   19    7 o  314.414   9.1602  268.184   15.563   0.0000   0.0000  268.184   15.563  ?   ?   314.414   9.1602      ?      ? 
1 1 1   22   19    8 o  174.963   7.8277   83.186   7.3521   96.438   10.616   70.969   10.192  188.411   10.427  161.516   11.678 26.89508 15.65540 
1 1 1   22   19   10 f  168.749   7.8595   77.531   7.1601   81.092   10.101   73.935   10.151  172.676   10.826  164.823   11.397 7.853729 15.71895 
1 1 1   22   19   12 f  226.125   6.5769  138.872   8.0317  132.484   11.267  145.471   11.452  220.821   9.4426  231.429   9.1575 -10.60822 13.15384 
1 1 1   22   19   13 o  147.359   7.4574   59.024   5.8869   59.572   8.9496   58.607   7.8158  147.895   11.199  146.824   9.8511 1.070526 14.91489 
1 1 1   22   19   14 o   78.449   12.673   17.548   5.2287   18.340   7.8662   16.921   6.9986   79.962   18.562   76.936   17.259 3.025803 25.34621 
1 1 1   22   19   15 o   47.966   17.888   4.8885   6.2183   0.0000   0.0000   4.8885   6.2183  ?   ?    47.966   17.888      ?      ? 
1 1 1   22   19   16 o   69.401   25.754   10.976   12.859   0.0000   0.0000   10.976   12.859  ?   ?    69.401   25.754      ?      ? 
1 1 1   22   19   18 o  151.565   17.981   63.694   14.726   0.0000   0.0000   63.694   14.726  ?   ?   151.565   17.981      ?      ? 
1 1 1   22   19   20 o  110.658   16.806   33.953   10.050   0.0000   0.0000   33.953   10.050  ?   ?   110.658   16.806      ?      ? 
1 1 1   22   19   21 o   38.050   18.072 -11.8440   10.069   0.0000   0.0000 -11.8440   10.069  ?   ?    38.050   18.072      ?      ? 
1 1 1   22   19   22 o   75.826   15.057   16.414   5.9518   0.0000   0.0000   16.414   5.9518  ?   ?    75.826   15.057      ?      ? 
1 1 1   22   19   23 o  282.696   7.7902  217.311   11.900   0.0000   0.0000  217.311   11.900  ?   ?   282.696   7.7902      ?      ? 
1 1 1   22   19   24 o  177.569   7.3611   85.724   7.0632   0.0000   0.0000   85.724   7.0632  ?   ?   177.569   7.3611      ?      ? 
1 1 1   22   19   25 o  290.757   7.9077  230.242   12.424   0.0000   0.0000  230.242   12.424  ?   ?   290.757   7.9077      ?      ? 
1 1 1   22   19   26 f   99.768   11.718   27.396   6.3171   0.0000   0.0000   27.396   6.3171  ?   ?    99.768   11.718      ?      ? 
1 1 1   22   19   27 o   76.049   15.233   16.668   6.0416   0.0000   0.0000   16.668   6.0416  ?   ?    76.049   15.233      ?      ? 
1 1 1   22   19   29 f  224.241   7.2351  137.032   8.7669   0.0000   0.0000  137.032   8.7669  ?   ?   224.241   7.2351      ?      ? 
1 1 1   22   19   30 f  105.637   10.254   30.725   5.8532   0.0000   0.0000   30.725   5.8532  ?   ?   105.637   10.254      ?      ? 
1 1 1   22   19   31 o  172.724   7.4546   81.450   6.9577   0.0000   0.0000   81.450   6.9577  ?   ?   172.724   7.4546      ?      ? 
1 1 1   22   19   32 o  118.740   8.9887   38.722   5.7674   0.0000   0.0000   38.722   5.7674  ?   ?   118.740   8.9887      ?      ? 
1 1 1   22   19   33 o  160.797   6.9310   70.599   6.0223   0.0000   0.0000   70.599   6.0223  ?   ?   160.797   6.9310      ?      ? 
1 1 1   22   19   34 o  132.200   7.3447   47.797   5.2468   0.0000   0.0000   47.797   5.2468  ?   ?   132.200   7.3447      ?      ? 
1 1 1   22   19   35 o   33.663   13.980   1.0522   4.1851   0.0000   0.0000   1.0522   4.1851  ?   ?    33.663   13.980      ?      ? 
1 1 1   22   19   36 o  111.620   8.1565   34.252   4.9196   0.0000   0.0000   34.252   4.9196  ?   ?   111.620   8.1565      ?      ? 
1 1 1   22   19   37 o   34.524   14.060   1.6113   4.1264   0.0000   0.0000   1.6113   4.1264  ?   ?    34.524   14.060      ?      ? 
1 1 1   22   19   38 f  158.653   8.2736   69.398   7.0930   0.0000   0.0000   69.398   7.0930  ?   ?   158.653   8.2736      ?      ? 
1 1 1   22   19   39 o  139.446   8.2572   46.886   4.6594   67.568   12.215   43.364   5.0405  153.235   14.752  125.658   7.4232 27.57712 16.51436 
1 1 1   22   19   40 o  236.219   6.8656  154.039   6.8330  157.860   15.778  153.157   7.5808  235.737   12.386  236.701   5.9269 -0.9635010 13.73127 
1 1 1   22   19   41 o  199.438   7.7347  111.946   7.4123  111.982   14.134  111.933   8.7054  197.589   13.238  201.286   8.0037 -3.696991 15.46945 
1 1 1   22   19   42 o  143.818   9.6352   57.961   7.4880   0.0000   0.0000   57.961   7.4880  ?   ?   143.818   9.6352      ?      ? 
1 1 1   22   19   43 o  141.559   8.2891   60.194   5.9723   46.096   9.3969   69.748   7.7357  125.329   13.875  157.790   9.0726 -32.46130 16.57823 
1 1 1   22   19   44 o  112.782   25.882   44.842   15.439   0.0000   0.0000   44.842   15.439  ?   ?   112.782   25.882      ?      ? 
1 1 1   22   19   45 o  147.610   19.846   69.009   15.830   0.0000   0.0000   69.009   15.830  ?   ?   147.610   19.846      ?      ? 
1 1 1   22   19   46 o   94.673   17.919   36.029   9.3343   37.050   12.174   34.572   14.541   99.793   23.041   89.554   27.449 10.23877 35.83810 
1 1 1   22   19   47 o  234.788   9.8881  166.553   12.453  175.068   16.981  156.644   18.318  243.046   12.929  226.529   14.964 16.51654 19.77617 
1 1 1   22   19   48 o  125.945   15.727   58.138   10.107   63.153   13.300   51.284   15.548  138.700   17.745  113.189   25.972 25.51058 31.45501 
1 1 1   22   20    0 o  257.770   8.1560  181.080   11.331  185.135   15.585  176.531   16.505  260.911   11.054  254.629   11.995 6.282181 16.31202 
1 1 1   22   20    1 o  118.791   11.802   39.297   7.4212   42.387   9.8189   35.180   11.334  124.531   14.591  113.051   18.553 11.48026 23.60338 
1 1 1   22   20    2 o   90.440   15.172   22.928   7.4882   14.493   10.071   33.356   11.198   72.554   22.941  108.327   19.862 -35.77293 30.34425 
1 1 1   22   20    3 o   80.672   14.902   16.539   7.4105   4.1802   9.8804   32.432   11.204   54.666   21.936  106.679   20.175 -52.01336 29.80346 
1 1 1   22   20    4 o  254.484   7.9967  175.555   10.968  166.329   14.873  186.554   16.240  247.215   11.134  261.754   11.481 -14.53912 15.99339 
1 1 1   22   20    5 o  264.204   8.0338  189.194   11.414  217.275   16.720  164.685   15.621  282.552   10.951  245.856   11.758 36.69630 16.06758 
1 1 1   22   20    6 o  269.909   7.8916  198.359   11.491  213.559   16.405  183.716   16.102  280.120   10.838  259.698   11.474 20.42209 15.78328 
1 1 1   22   20    7 o  372.191   8.3586  377.056   16.798  395.721   24.277  359.910   23.268  381.024   11.791  363.358   11.851 17.66525 16.71728 
1 1 1   22   20    8 o  218.595   8.0377  130.268   9.4793  132.027   13.097  128.333   13.738  220.202   11.006  216.988   11.717 3.213577 16.07547 
1 1 1   22   20    9 o  137.815   9.9710   51.924   7.3988   51.441   10.026   52.500   10.963  137.183   13.526  138.448   14.654 -1.265106 19.94199 
1 1 1   22   20   10 o  154.694   9.2971   66.306   7.6431   78.041   10.642   53.806   10.984  169.216   11.639  140.172   14.501 29.04413 18.59426 
1 1 1   22   20   11 o  179.698   8.4301   88.820   8.0944  102.950   11.375   74.324   11.521  194.449   10.826  164.947   12.926 29.50136 16.86027 
1 1 1   22   20   12 o   73.840   12.713   14.056   6.4260   29.099   8.9149  -2.2128   9.2712  102.865   16.038   44.815   19.730 58.05055 25.42600 
1 1 1   22   20   13 f  152.559   8.6730   63.107   7.0982   59.887   9.3961   67.387   10.833  148.130   11.739  156.988   12.771 -8.857193 17.34596 
1 1 1   22   20   14 o  282.656   10.850  217.860   16.573   0.0000   0.0000  217.860   16.573  ?   ?   282.656   10.850      ?      ? 
1 1 1   22   20   15 o  188.686   9.7593   96.964   9.9506   0.0000   0.0000   96.964   9.9506  ?   ?   188.686   9.7593      ?      ? 
1 1 1   22   20   17 o   51.183   19.384   5.4479   7.3623   0.0000   0.0000   5.4479   7.3623  ?   ?    51.183   19.384      ?      ? 
1 1 1   22   20   18 o  107.455   13.929   31.781   8.0879   0.0000   0.0000   31.781   8.0879  ?   ?   107.455   13.929      ?      ? 
1 1 1   22   20   19 o  106.874   13.649   31.435   7.8824   0.0000   0.0000   31.435   7.8824  ?   ?   106.874   13.649      ?      ? 
1 1 1   22   20   20 o  304.435   8.4446  252.274   13.892   0.0000   0.0000  252.274   13.892  ?   ?   304.435   8.4446      ?      ? 
1 1 1   22   20   21 o   49.029   23.102 -15.2658   15.851   0.0000   0.0000 -15.2658   15.851  ?   ?    49.029   23.102      ?      ? 
1 1 1   22   20   24 o   88.920   35.075   19.532   24.841   0.0000   0.0000   19.532   24.841  ?   ?    88.920   35.075      ?      ? 
1 1 1   22   20   25 o   69.314   30.895  -2.4279   23.437   0.0000   0.0000  -2.4279   23.437  ?   ?    69.314   30.895      ?      ? 
1 1 1   22   20   26 o  204.665   12.142  115.738   13.428   0.0000   0.0000  115.738   13.428  ?   ?   204.665   12.142      ?      ? 
1 1 1   22   20   27 o   70.987   24.041   14.452   10.980   0.0000   0.0000   14.452   10.980  ?   ?    70.987   24.041      ?      ? 
1 1 1   22   20   28 o  230.855   11.160  147.268   13.922   0.0000   0.0000  147.268   13.922  ?   ?   230.855   11.160      ?      ? 
1 1 1   22   20   29 o   78.262   23.764   18.693   10.933   0.0000   0.0000   18.693   10.933  ?   ?    78.262   23.764      ?      ? 
1 1 1   22   20   30 f   57.235   22.863   6.4033   10.680   0.0000   0.0000   6.4033   10.680  ?   ?    57.235   22.863      ?      ? 
1 1 1   22   20   31 o   55.675   23.495   3.5346   12.112   0.0000   0.0000   3.5346   12.112  ?   ?    55.675   23.495      ?      ? 
1 1 1   22   20   32 o   45.680   20.878  -5.2299   11.516   0.0000   0.0000  -5.2299   11.516  ?   ?    45.680   20.878      ?      ? 
1 1 1   22   20   33 o   35.195   17.216 -18.5625   10.920   0.0000   0.0000 -18.5625   10.920  ?   ?    35.195   17.216      ?      ? 
1 1 1   22   20   34 o  149.153   15.432   63.831   12.438   0.0000   0.0000   63.831   12.438  ?   ?   149.153   15.432      ?      ? 
1 1 1   22   20   36 o   65.835   25.001   12.257   12.269   0.0000   0.0000   12.257   12.269  ?   ?    65.835   25.001      ?      ? 
1 1 1   22   20   37 f   40.154   19.028 -10.1729   11.039   0.0000   0.0000 -10.1729   11.039  ?   ?    40.154   19.028      ?      ? 
1 1 1   22   20   39 o   50.184   15.036   2.2301   7.4114   7.9369   10.059  -4.5477   10.962   56.513   22.310   43.855   20.164 12.65820 30.07228 
1 1 1   22   20   40 o   63.518   17.407   11.717   8.4956   12.804   10.996   10.108   13.381   64.545   23.843   62.491   25.369 2.054035 34.81472 
1 1 1   22   20   41 o  116.071   15.573   43.861   9.2865   38.851   11.997   51.351   14.669  108.596   21.205  123.546   22.812 -14.94955 31.14558 
1 1 1   22   20   42 o   80.570   18.665   21.817   9.0308   16.734   11.090   31.824   15.560   69.915   24.149   91.224   28.467 -21.30859 37.33036 
1 1 1   22   20   43 o  211.420   10.608  132.284   11.866  134.549   15.434  129.009   18.558  215.594   13.248  207.246   16.571 8.348557 21.21562 
1 1 1   22   20   44 o   88.608   17.643   31.406   9.7364   40.158   12.402   17.347   15.719  108.412   21.924   68.805   27.648 39.60710 35.28545 
1 1 1   22   20   45 o   59.522   17.193   12.791   8.8645   15.036   11.629   9.6779   13.696   62.529   24.189   56.514   24.440 6.014782 34.38677 
1 1 1   22   20   46 o   69.378   14.580   17.619   5.9404   13.115   10.741   19.603   7.1301   61.275   23.363   77.481   17.450 -16.20594 29.16031 
1 1 1   22   20   47 o  142.492   9.7443   61.583   6.7930   64.279   12.563   60.469   8.0752  140.916   16.499  144.069   10.373 -3.152527 19.48869 
1 1 1   22   21    0 o  365.996   9.5127  364.021   18.814   0.0000   0.0000  364.021   18.814  ?   ?   365.996   9.5127      ?      ? 
1 1 1   22   21    1 o  174.354   8.1991   82.812   7.7101   83.348   11.271   82.341   10.570  174.839   11.930  173.868   11.251 0.9716034 16.39811 
1 1 1   22   21    2 o  121.859   11.063   40.997   7.1927   48.913   10.252   33.323   10.094  133.682   14.192  110.037   16.976 23.64590 22.12686 
1 1 1   22   21    3 o  222.699   10.128  134.894   12.188   0.0000   0.0000  134.894   12.188  ?   ?   222.699   10.128      ?      ? 
1 1 1   22   21    4 f  311.826   9.1617  264.174   15.438   0.0000   0.0000  264.174   15.438  ?   ?   311.826   9.1617      ?      ? 
1 1 1   22   21    5 o  239.009   6.7893  155.292   8.7681  153.872   12.328  156.745   12.473  237.906   9.5896  240.113   9.6135 -2.206940 13.57861 
1 1 1   22   21    6 o  176.186   11.276   84.612   10.735   0.0000   0.0000   84.612   10.735  ?   ?   176.186   11.276      ?      ? 
1 1 1   22   21    8 o  137.482   9.0850   51.774   6.7070   59.319   9.6060   44.598   9.3688  147.369   12.063  127.596   13.588 19.77347 18.17002 
1 1 1   22   21    9 o  194.741   7.3623  103.123   7.7254   92.694   10.683  114.554   11.185  184.393   10.722  205.090   10.092 -20.69757 14.72463 
1 1 1   22   21   10 o  195.295   10.254  103.944   10.821   0.0000   0.0000  103.944   10.821  ?   ?   195.295   10.254      ?      ? 
1 1 1   22   21   11 o   71.615   13.130   12.799   5.8081   2.9209   7.6525   26.220   8.9203   47.476   19.216   95.754   17.898 -48.27805 26.25985 
1 1 1   22   21   12 o   75.687   12.711   17.572   5.5166   7.4302   8.7131   24.358   7.1269   57.260   21.210   94.115   14.014 -36.85531 25.42112 
1 1 1   22   21   13 o  194.221   6.8761  102.529   6.9342  103.874   11.561  101.772   8.6662  194.981   10.973  193.462   8.2898 1.519272 13.75212 
1 1 1   22   21   14 f  144.979   8.6571   57.197   6.7821   0.0000   0.0000   57.197   6.7821  ?   ?   144.979   8.6571      ?      ? 
1 1 1   22   21   15 o   45.092   17.614   3.5855   6.2119   0.0000   0.0000   3.5855   6.2119  ?   ?    45.092   17.614      ?      ? 
1 1 1   22   21   16 o   30.625   14.402  -6.3285   6.1047   0.0000   0.0000  -6.3285   6.1047  ?   ?    30.625   14.402      ?      ? 
1 1 1   22   21   17 o  178.172   7.9167   86.343   7.6220   0.0000   0.0000   86.343   7.6220  ?   ?   178.172   7.9167      ?      ? 
1 1 1   22   21   18 o  107.109   24.088   34.183   13.604   0.0000   0.0000   34.183   13.604  ?   ?   107.109   24.088      ?      ? 
1 1 1   22   21   20 o   88.891   13.474   21.861   6.4722   0.0000   0.0000   21.861   6.4722  ?   ?    88.891   13.474      ?      ? 
1 1 1   22   21   21 o  102.575   16.665   29.514   9.2370   0.0000   0.0000   29.514   9.2370  ?   ?   102.575   16.665      ?      ? 
1 1 1   22   21   22 o  129.845   9.2681   46.111   6.5028   0.0000   0.0000   46.111   6.5028  ?   ?   129.845   9.2681      ?      ? 
1 1 1   22   21   23 o   50.037   17.410   6.4729   5.7687   0.0000   0.0000   6.4729   5.7687  ?   ?    50.037   17.410      ?      ? 
1 1 1   22   21   24 o  151.910   8.3286   63.044   6.8367   0.0000   0.0000   63.044   6.8367  ?   ?   151.910   8.3286      ?      ? 
1 1 1   22   21   25 o  225.667   6.6279  138.655   8.0823   0.0000   0.0000  138.655   8.0823  ?   ?   225.667   6.6279      ?      ? 
1 1 1   22   21   26 o   33.763   14.967  -1.4730   5.4264   0.0000   0.0000  -1.4730   5.4264  ?   ?    33.763   14.967      ?      ? 
1 1 1   22   21   27 o   56.445   16.788   9.2435   5.4979   0.0000   0.0000   9.2435   5.4979  ?   ?    56.445   16.788      ?      ? 
1 1 1   22   21   28 o   47.617   16.747   5.9003   5.3445   0.0000   0.0000   5.9003   5.3445  ?   ?    47.617   16.747      ?      ? 
1 1 1   22   21   29 o   74.574   13.710   16.084   5.3213   0.0000   0.0000   16.084   5.3213  ?   ?    74.574   13.710      ?      ? 
1 1 1   22   21   30 o   35.585   15.270   0.1543   5.2665   0.0000   0.0000   0.1543   5.2665  ?   ?    35.585   15.270      ?      ? 
1 1 1   22   21   31 o   85.363   18.017   21.888   8.0497   0.0000   0.0000   21.888   8.0497  ?   ?    85.363   18.017      ?      ? 
1 1 1   22   21   32 o   61.214   20.579   10.989   8.0446   0.0000   0.0000   10.989   8.0446  ?   ?    61.214   20.579      ?      ? 
1 1 1   22   21   33 o   53.652   20.259   7.1899   8.0270   0.0000   0.0000   7.1899   8.0270  ?   ?    53.652   20.259      ?      ? 
1 1 1   22   21   34 o  152.867   11.036   65.402   9.1161   0.0000   0.0000   65.402   9.1161  ?   ?   152.867   11.036      ?      ? 
1 1 1   22   21   35 o   97.385   15.801   27.529   8.3149   0.0000   0.0000   27.529   8.3149  ?   ?    97.385   15.801      ?      ? 
1 1 1   22   21   36 o   64.438   19.780   12.826   7.5478   0.0000   0.0000   12.826   7.5478  ?   ?    64.438   19.780      ?      ? 
1 1 1   22   21   37 o   39.773   15.768   3.0317   5.0437   0.0000   0.0000   3.0317   5.0437  ?   ?    39.773   15.768      ?      ? 
1 1 1   22   21   38 o   47.325   15.927   6.3937   4.8184   0.0000   0.0000   6.3937   4.8184  ?   ?    47.325   15.927      ?      ? 
1 1 1   22   21   39 o   84.302   11.030   20.178   5.0247   0.0000   0.0000   20.178   5.0247  ?   ?    84.302   11.030      ?      ? 
1 1 1   22   21   40 o   86.932   12.669   23.680   4.7905   23.514   10.557   23.724   5.3759   82.530   22.878   91.334   10.893 -8.804237 25.33879 
1 1 1   22   21   41 o  123.271   10.139   41.730   5.3159   49.347   12.424   40.023   5.8815  126.851   18.125  119.692   9.0936 7.159042 20.27824 
1 1 1   22   21   42 o   31.464   11.094 -10.9280   4.5914  -7.6959   11.120 -11.5921   5.0411   40.962   19.316   21.966   10.919 18.99671 22.18862 
1 1 1   22   21   43 o  112.303   13.257   44.978   6.8255   33.333   12.064   50.460   8.2777   93.630   23.795  130.976   11.696 -37.34623 26.51372 
1 1 1   22   21   44 o  131.582   8.5196   50.890   6.0356   49.131   8.8044   52.449   8.2899  128.911   12.639  134.253   11.427 -5.342682 17.03913 
1 1 1   22   21   45 o   91.568   12.003   27.058   5.7593   27.597   8.7519   26.646   7.6488   90.607   18.501   92.528   15.298 -1.920761 24.00657 
1 1 1   22   22    0 o  155.959   9.1492   66.565   7.6945   72.625   11.052   60.866   10.719  162.903   12.555  149.015   13.312 13.88742 18.29848 
1 1 1   22   22    1 o  180.689   8.3335   88.962   8.1209   97.052   11.819   81.727   11.177  188.479   11.604  172.898   11.964 15.58052 16.66709 
1 1 1   22   22    2 o   46.626   14.094  -0.0987   6.3136  -1.9179   8.6182   2.0087   9.2757   43.295   19.042   49.957   20.785 -6.661598 28.18886 
1 1 1   22   22    3 o  185.430   8.1690   93.763   8.1584  104.883   11.818   83.639   11.276  195.981   11.160  174.878   11.933 21.10301 16.33805 
1 1 1   22   22    4 o  234.469   7.0197  149.697   8.8901  154.105   12.802  145.592   12.355  237.793   9.9633  231.145   9.8913 6.647568 14.03940 
1 1 1   22   22    5 o   77.131   13.171   15.523   6.2546   4.1062   8.4356   29.462   9.3212   51.123   20.352  103.140   16.725 -52.01674 26.34242 
1 1 1   22   22    6 o  127.072   9.8651   44.428   6.7693   45.223   9.4566   43.591   9.6942  128.288   13.641  125.855   14.255 2.432930 19.73016 
1 1 1   22   22    7 o  307.546   6.5624  257.471   10.895  241.839   15.228  273.862   15.594  297.941   9.4589  317.151   9.0989 -19.21069 13.12480 
1 1 1   22   22    8 o   90.503   19.199   23.703   9.0983   0.0000   0.0000   23.703   9.0983  ?   ?    90.503   19.199      ?      ? 
1 1 1   22   22    9 o  148.020   8.6227   60.173   6.8656   67.100   9.7544   53.372   9.6649  156.592   11.528  139.448   12.826 17.14384 17.24535 
1 1 1   22   22   10 o  118.876   9.8406   38.350   6.2755   33.916   8.3074   44.243   9.5771  110.998   13.850  126.753   13.983 -15.75473 19.68111 
1 1 1   22   22   11 o  127.199   9.4601   44.303   6.4861   41.697   8.8011   47.401   9.5957  123.148   13.226  131.249   13.530 -8.100609 18.92025 
1 1 1   22   22   12 o  177.949   7.1808   85.728   6.6995   89.504   10.986   83.492   8.4530  180.830   11.243  175.068   8.9355 5.762222 14.36153 
1 1 1   22   22   13 o  288.249   8.2343  226.127   12.826   0.0000   0.0000  226.127   12.826  ?   ?   288.249   8.2343      ?      ? 
1 1 1   22   22   14 o  121.659   10.720   40.511   7.0475   0.0000   0.0000   40.511   7.0475  ?   ?   121.659   10.720      ?      ? 
1 1 1   22   22   15 o  164.385   8.4990   73.652   7.5495   0.0000   0.0000   73.652   7.5495  ?   ?   164.385   8.4990      ?      ? 
1 1 1   22   22   16 o  158.715   8.7701   68.739   7.5216   0.0000   0.0000   68.739   7.5216  ?   ?   158.715   8.7701      ?      ? 
1 1 1   22   22   17 o  120.622   10.568   39.903   6.8879   0.0000   0.0000   39.903   6.8879  ?   ?   120.622   10.568      ?      ? 
1 1 1   22   22   18 o   33.923   15.531  -4.0591   6.4090   0.0000   0.0000  -4.0591   6.4090  ?   ?    33.923   15.531      ?      ? 
1 1 1   22   22   19 o  186.023   9.8212   94.795   9.8723   0.0000   0.0000   94.795   9.8723  ?   ?   186.023   9.8212      ?      ? 
1 1 1   22   22   20 o   54.461   18.638   7.9085   6.5997   0.0000   0.0000   7.9085   6.5997  ?   ?    54.461   18.638      ?      ? 
1 1 1   22   22   21 o  119.137   10.383   39.010   6.6844   0.0000   0.0000   39.010   6.6844  ?   ?   119.137   10.383      ?      ? 
1 1 1   22   22   22 o  272.054   8.0160  202.202   11.784   0.0000   0.0000  202.202   11.784  ?   ?   272.054   8.0160      ?      ? 
1 1 1   22   22   23 o   39.557   16.454   1.4216   5.8109   0.0000   0.0000   1.4216   5.8109  ?   ?    39.557   16.454      ?      ? 
1 1 1   22   22   24 o   32.213   14.629  -2.8899   5.5398   0.0000   0.0000  -2.8899   5.5398  ?   ?    32.213   14.629      ?      ? 
1 1 1   22   22   25 o   66.170   16.610   12.946   5.9301   0.0000   0.0000   12.946   5.9301  ?   ?    66.170   16.610      ?      ? 
1 1 1   22   22   26 o  125.350   13.195   44.055   8.9375   0.0000   0.0000   44.055   8.9375  ?   ?   125.350   13.195      ?      ? 
1 1 1   22   22   27 o  168.916   7.5203   78.062   6.8642   0.0000   0.0000   78.062   6.8642  ?   ?   168.916   7.5203      ?      ? 
1 1 1   22   22   28 o   82.644   12.589   19.126   5.6219   0.0000   0.0000   19.126   5.6219  ?   ?    82.644   12.589      ?      ? 
1 1 1   22   22   29 o  228.077   6.4938  142.010   8.0032   0.0000   0.0000  142.010   8.0032  ?   ?   228.077   6.4938      ?      ? 
1 1 1   22   22   30 o  162.934   7.6565   72.833   6.7411   0.0000   0.0000   72.833   6.7411  ?   ?   162.934   7.6565      ?      ? 
1 1 1   22   22   31 o   75.290   14.517   16.672   5.6922   0.0000   0.0000   16.672   5.6922  ?   ?    75.290   14.517      ?      ? 
1 1 1   22   22   32 o   81.546   12.931   18.855   5.6981   0.0000   0.0000   18.855   5.6981  ?   ?    81.546   12.931      ?      ? 
1 1 1   22   22   33 o  128.391   8.7303   45.548   6.0569   0.0000   0.0000   45.548   6.0569  ?   ?   128.391   8.7303      ?      ? 
1 1 1   22   22   34 o   87.229   11.784   21.436   5.5546   0.0000   0.0000   21.436   5.5546  ?   ?    87.229   11.784      ?      ? 
1 1 1   22   22   35 o  111.662   9.4460   34.721   5.6996   0.0000   0.0000   34.721   5.6996  ?   ?   111.662   9.4460      ?      ? 
1 1 1   22   22   36 o   98.933   10.313   27.438   5.5133   0.0000   0.0000   27.438   5.5133  ?   ?    98.933   10.313      ?      ? 
1 1 1   22   22   37 o   73.568   13.574   16.098   5.1975   0.0000   0.0000   16.098   5.1975  ?   ?    73.568   13.574      ?      ? 
1 1 1   22   22   38 o   33.097   14.569  -0.4383   5.0536   0.0000   0.0000  -0.4383   5.0536  ?   ?    33.097   14.569      ?      ? 
1 1 1   22   22   39 o   34.213   14.939  -0.1265   5.2196   0.0000   0.0000  -0.1265   5.2196  ?   ?    34.213   14.939      ?      ? 
1 1 1   22   22   40 o   65.098   15.753   13.063   5.4817   0.0000   0.0000   13.063   5.4817  ?   ?    65.098   15.753      ?      ? 
1 1 1   22   22   41 o   50.432   14.467   4.9259   4.9295   12.631   11.580   3.2208   5.4477   60.962   23.979   39.902   16.191 21.05996 28.93357 
1 1 1   22   22   42 o   46.030   13.561   4.4668   4.7720   7.1374   10.341   3.7442   5.3790   51.718   21.761   40.341   16.187 11.37729 27.12099 
1 1 1   22   22   43 o   53.161   14.096   6.7169   4.5139   14.802   10.345   4.8156   5.0167   63.941   23.203   42.382   16.013 21.55868 28.19173 
1 1 1   22   22   44 o   45.844   13.425   4.2669   6.1017  -7.0653   10.688   9.7465   7.4319   38.364   18.332   53.323   19.618 -14.95870 26.85015 
1 1 1   22   23    0 o   67.933   15.508   12.839   6.5084   14.227   8.9999   11.318   9.4233   70.637   21.586   65.228   22.271 5.409225 31.01533 
1 1 1   22   23    1 o  106.630   12.581   32.080   7.0480   36.895   10.198   27.678   9.7517  115.337   16.363   97.922   19.115 17.41546 25.16238 
1 1 1   22   23    2 o  112.994   11.742   35.439   7.1665   36.798   10.206   34.116   10.065  115.168   16.399  110.819   16.808 4.349426 23.48330 
1 1 1   22   23    3 o   61.974   15.588   9.4382   6.6569   12.326   9.4356   6.5759   9.3931   67.121   22.283   56.827   21.805 10.29333 31.17677 
1 1 1   22   23    4 o  229.339   7.4373  143.530   9.2096  148.191   13.350  139.298   12.721  232.865   10.610  225.814   10.425 7.050568 14.87452 
1 1 1   22   23    5 o   54.965   14.103   3.7736   6.4590   14.274   8.9403  -7.6915   9.3417   70.634   21.499   39.295   18.259 31.33876 28.20630 
1 1 1   22   23    6 o  137.735   9.5613   52.215   7.1070   55.941   10.178   48.670   9.9284  142.587   13.209  132.882   13.827 9.704529 19.12257 
1 1 1   22   23    7 o  148.011   8.8695   60.247   7.0864   61.566   9.8703   58.843   10.180  149.753   12.197  146.270   12.880 3.483139 17.73894 
1 1 1   22   23    8 f  236.304   9.7703  152.481   12.476   0.0000   0.0000  152.481   12.476  ?   ?   236.304   9.7703      ?      ? 
1 1 1   22   23    9 o  158.020   8.2090   68.439   7.0010   66.856   9.6246   70.218   10.202  156.124   11.408  159.915   11.807 -3.791809 16.41795 
1 1 1   22   23   10 o  204.331   7.1510  114.448   7.8778  121.936   11.065  106.752   11.218  211.225   9.6943  197.438   10.515 13.78714 14.30199 
1 1 1   22   23   11 o   75.449   12.161   13.793   5.3727   29.662   8.8205   4.4328   6.7744  103.133   15.827   47.765   18.467 55.36784 24.32141 
1 1 1   22   23   12 o  188.234   6.9031   96.398   6.7869   99.077   11.194   94.841   8.5345  189.999   10.903  186.469   8.4699 3.529526 13.80616 
1 1 1   22   23   13 o  193.108   8.3264  101.706   8.6885   0.0000   0.0000  101.706   8.6885  ?   ?   193.108   8.3264      ?      ? 
1 1 1   22   23   14 o   90.291   13.558   22.592   6.6147   0.0000   0.0000   22.592   6.6147  ?   ?    90.291   13.558      ?      ? 
1 1 1   22   23   15 o   88.900   13.812   21.939   6.6351   0.0000   0.0000   21.939   6.6351  ?   ?    88.900   13.812      ?      ? 
1 1 1   22   23   16 o  119.494   10.745   39.240   6.9384   0.0000   0.0000   39.240   6.9384  ?   ?   119.494   10.745      ?      ? 
1 1 1   22   23   17 o  296.352   8.1277  239.726   13.016   0.0000   0.0000  239.726   13.016  ?   ?   296.352   8.1277      ?      ? 
1 1 1   22   23   18 o  120.001   10.847   39.668   7.0335   0.0000   0.0000   39.668   7.0335  ?   ?   120.001   10.847      ?      ? 
1 1 1   22   23   19 f   99.589   25.737   31.006   13.950   0.0000   0.0000   31.006   13.950  ?   ?    99.589   25.737      ?      ? 
1 1 1   22   23   20 o   68.692   19.985   14.041   7.8651   0.0000   0.0000   14.041   7.8651  ?   ?    68.692   19.985      ?      ? 
1 1 1   22   23   21 o   43.807   17.474   3.2093   6.2301   0.0000   0.0000   3.2093   6.2301  ?   ?    43.807   17.474      ?      ? 
1 1 1   22   23   22 o  123.777   9.8865   42.202   6.6126   0.0000   0.0000   42.202   6.6126  ?   ?   123.777   9.8865      ?      ? 
1 1 1   22   23   23 o   48.626   17.657   5.9102   5.9920   0.0000   0.0000   5.9102   5.9920  ?   ?    48.626   17.657      ?      ? 
1 1 1   22   23   24 o   44.254   17.269   3.8691   5.9665   0.0000   0.0000   3.8691   5.9665  ?   ?    44.254   17.269      ?      ? 
1 1 1   22   23   25 o  123.479   9.7308   42.079   6.4927   0.0000   0.0000   42.079   6.4927  ?   ?   123.479   9.7308      ?      ? 
1 1 1   22   23   26 o   70.785   15.814   14.847   5.8965   0.0000   0.0000   14.847   5.8965  ?   ?    70.785   15.814      ?      ? 
1 1 1   22   23   27 o   60.371   17.185   10.899   5.8750   0.0000   0.0000   10.899   5.8750  ?   ?    60.371   17.185      ?      ? 
1 1 1   22   23   28 o   88.728   12.525   22.168   6.0051   0.0000   0.0000   22.168   6.0051  ?   ?    88.728   12.525      ?      ? 
1 1 1   22   23   29 o   52.127   17.442   7.7566   5.7786   0.0000   0.0000   7.7566   5.7786  ?   ?    52.127   17.442      ?      ? 
1 1 1   22   23   30 o  141.021   8.4308   54.870   6.4245   0.0000   0.0000   54.870   6.4245  ?   ?   141.021   8.4308      ?      ? 
1 1 1   22   23   31 o  112.314   9.9224   35.078   6.0220   0.0000   0.0000   35.078   6.0220  ?   ?   112.314   9.9224      ?      ? 
1 1 1   22   23   32 o   83.002   13.071   19.610   5.8623   0.0000   0.0000   19.610   5.8623  ?   ?    83.002   13.071      ?      ? 
1 1 1   22   23   33 o   37.240   15.812   0.9901   5.5394   0.0000   0.0000   0.9901   5.5394  ?   ?    37.240   15.812      ?      ? 
1 1 1   22   23   34 o   82.855   12.862   19.634   5.7587   0.0000   0.0000   19.634   5.7587  ?   ?    82.855   12.862      ?      ? 
1 1 1   22   23   35 o   53.296   16.668   8.6492   5.3310   0.0000   0.0000   8.6492   5.3310  ?   ?    53.296   16.668      ?      ? 
1 1 1   22   23   36 o   87.442   12.008   21.999   5.6741   0.0000   0.0000   21.999   5.6741  ?   ?    87.442   12.008      ?      ? 
1 1 1   22   23   37 o   49.766   17.043   7.2735   5.5181   0.0000   0.0000   7.2735   5.5181  ?   ?    49.766   17.043      ?      ? 
1 1 1   22   23   38 o   57.066   17.206   10.103   5.7461   0.0000   0.0000   10.103   5.7461  ?   ?    57.066   17.206      ?      ? 
1 1 1   22   23   39 o   26.119   12.615  -7.2762   5.3786   0.0000   0.0000  -7.2762   5.3786  ?   ?    26.119   12.615      ?      ? 
1 1 1   22   23   40 o  132.946   11.910   52.337   8.5563   0.0000   0.0000   52.337   8.5563  ?   ?   132.946   11.910      ?      ? 
1 1 1   22   23   41 o   74.947   13.669   17.167   5.3319   0.0000   0.0000   17.167   5.3319  ?   ?    74.947   13.669      ?      ? 
1 1 1   22   23   42 o   61.691   11.001   15.641   4.7906  -6.9730   10.920   21.031   5.3310   39.076   18.633   84.307   11.702 -45.23139 22.00250 
1 1 1   22   24    0 o  186.658   8.1554   95.651   8.2200  100.792   11.757   90.735   11.498  191.610   11.355  181.707   11.710 9.902191 16.31089 
1 1 1   22   24    1 o   56.624   15.063   5.3610   6.7440  -1.5412   9.3431   12.869   9.7446   45.249   19.866   67.998   22.648 -22.74878 30.12659 
1 1 1   22   24    2 f   94.314   13.631   25.991   6.8150   31.782   9.5376   19.951   9.7413  106.605   16.557   82.023   21.658 24.58231 27.26169 
1 1 1   22   24    3 o   62.337   15.578   10.113   6.5561   10.979   8.9531   9.1125   9.6269   63.643   21.709   61.031   22.347 2.611176 31.15538 
1 1 1   22   24    4 o  212.036   10.849  123.357   12.430   0.0000   0.0000  123.357   12.430  ?   ?   212.036   10.849      ?      ? 
1 1 1   22   24    5 f  142.230   9.6505   56.380   7.3569   63.506   10.306   48.974   10.506  151.717   12.570  132.743   14.646 18.97429 19.30094 
1 1 1   22   24    6 o   74.629   15.051   16.413   6.3535   16.416   8.6301   16.408   9.3882   74.609   20.686   74.650   21.868 -0.4090118E-01 30.10163 
1 1 1   22   24    8 o   76.889   14.626   17.712   6.2608   20.185   8.4004   14.623   9.3903   82.806   19.155   70.972   22.109 11.83403 29.25257 
1 1 1   22   24    9 o  202.384   10.563  112.420   11.552   0.0000   0.0000  112.420   11.552  ?   ?   202.384   10.563      ?      ? 
1 1 1   22   24   10 o   81.476   13.419   19.683   5.6908   18.714   9.1790   20.289   7.2531   79.289   21.066   83.663   16.629 -4.374809 26.83841 
1 1 1   22   24   11 f   84.598   12.874   19.875   5.5950   26.712   9.2311   15.905   7.0344   95.595   18.539   73.600   17.867 21.99442 25.74741 
1 1 1   22   24   12 o   86.898   16.527   21.880   7.4769   0.0000   0.0000   21.880   7.4769  ?   ?    86.898   16.527      ?      ? 
1 1 1   22   24   13 o  186.776   8.1636   95.264   8.2393   0.0000   0.0000   95.264   8.2393  ?   ?   186.776   8.1636      ?      ? 
1 1 1   22   24   14 o  179.904   10.892   89.208   10.589   0.0000   0.0000   89.208   10.589  ?   ?   179.904   10.892      ?      ? 
1 1 1   22   24   15 o  176.816   8.0463   85.448   7.6878   0.0000   0.0000   85.448   7.6878  ?   ?   176.816   8.0463      ?      ? 
1 1 1   22   24   16 o   97.754   12.528   26.567   6.6179   0.0000   0.0000   26.567   6.6179  ?   ?    97.754   12.528      ?      ? 
1 1 1   22   24   17 o   79.249   16.364   18.398   6.7757   0.0000   0.0000   18.398   6.7757  ?   ?    79.249   16.364      ?      ? 
1 1 1   22   24   18 o  101.961   12.801   28.985   7.0530   0.0000   0.0000   28.985   7.0530  ?   ?   101.961   12.801      ?      ? 
1 1 1   22   24   19 o   40.864   17.220   1.1656   6.4919   0.0000   0.0000   1.1656   6.4919  ?   ?    40.864   17.220      ?      ? 
1 1 1   22   24   20 o  119.575   12.965   40.050   8.3772   0.0000   0.0000   40.050   8.3772  ?   ?   119.575   12.965      ?      ? 
1 1 1   22   24   21 o  149.515   11.376   62.140   9.1910   0.0000   0.0000   62.140   9.1910  ?   ?   149.515   11.376      ?      ? 
1 1 1   22   24   22 o   44.081   19.517  -1.4673   9.2002   0.0000   0.0000  -1.4673   9.2002  ?   ?    44.081   19.517      ?      ? 
1 1 1   22   24   23 o  101.229   11.795   28.608   6.4518   0.0000   0.0000   28.608   6.4518  ?   ?   101.229   11.795      ?      ? 
1 1 1   22   24   24 o  121.011   10.140   40.596   6.6307   0.0000   0.0000   40.596   6.6307  ?   ?   121.011   10.140      ?      ? 
1 1 1   22   24   25 o  157.529   8.1939   68.245   6.9749   0.0000   0.0000   68.245   6.9749  ?   ?   157.529   8.1939      ?      ? 
1 1 1   22   24   26 o   74.332   15.714   16.465   6.1144   0.0000   0.0000   16.465   6.1144  ?   ?    74.332   15.714      ?      ? 
1 1 1   22   24   27 o   86.701   13.165   21.347   6.1678   0.0000   0.0000   21.347   6.1678  ?   ?    86.701   13.165      ?      ? 
1 1 1   22   24   28 o  129.653   9.3095   46.594   6.5222   0.0000   0.0000   46.594   6.5222  ?   ?   129.653   9.3095      ?      ? 
1 1 1   22   24   29 o  129.577   9.1601   46.508   6.4139   0.0000   0.0000   46.508   6.4139  ?   ?   129.577   9.1601      ?      ? 
1 1 1   22   24   30 f   33.641   15.115  -1.8639   5.7316   0.0000   0.0000  -1.8639   5.7316  ?   ?    33.641   15.115      ?      ? 
1 1 1   22   24   31 o   36.677   16.068  -0.3503   6.0834   0.0000   0.0000  -0.3503   6.0834  ?   ?    36.677   16.068      ?      ? 
1 1 1   22   24   32 o   71.265   16.471   15.563   6.2158   0.0000   0.0000   15.563   6.2158  ?   ?    71.265   16.471      ?      ? 
1 1 1   22   24   33 o   98.382   12.068   27.750   6.4156   0.0000   0.0000   27.750   6.4156  ?   ?    98.382   12.068      ?      ? 
1 1 1   22   24   34 o  126.424   9.7133   45.007   6.6357   0.0000   0.0000   45.007   6.6357  ?   ?   126.424   9.7133      ?      ? 
1 1 1   22   24   35 o   45.356   17.457   5.0064   6.0327   0.0000   0.0000   5.0064   6.0327  ?   ?    45.356   17.457      ?      ? 
1 1 1   22   24   36 o   99.273   11.626   28.104   6.2364   0.0000   0.0000   28.104   6.2364  ?   ?    99.273   11.626      ?      ? 
1 1 1   22   24   37 o   93.294   12.117   25.301   6.1084   0.0000   0.0000   25.301   6.1084  ?   ?    93.294   12.117      ?      ? 
1 1 1   22   24   38 o   66.460   16.177   14.493   5.7548   0.0000   0.0000   14.493   5.7548  ?   ?    66.460   16.177      ?      ? 
1 1 1   22   24   39 o   78.484   14.126   18.929   5.7706   0.0000   0.0000   18.929   5.7706  ?   ?    78.484   14.126      ?      ? 
1 1 1   22   24   40 o   44.013   16.752   5.4929   5.5164   0.0000   0.0000   5.4929   5.5164  ?   ?    44.013   16.752      ?      ? 
1 1 1   22   25    0 o  115.722   12.512   39.705   7.2192   53.915   10.164   25.239   10.255  139.408   13.492   92.036   21.075 47.37200 25.02390 
1 1 1   22   25    1 o  113.775   11.694   36.548   7.1520   39.923   9.9926   33.004   10.241  119.458   15.480  108.092   17.533 11.36578 23.38900 
1 1 1   22   25    2 o   70.066   15.623   13.617   6.9773   20.386   9.9738   7.1291   9.7643   82.462   21.983   57.671   22.206 24.79109 31.24629 
1 1 1   22   25    3 o  261.688   9.9101  187.766   14.014  187.766   14.014   0.0000   0.0000  261.688   9.9101  ?   ?       ?      ? 
1 1 1   22   25    4 f   54.795   14.219   4.9607   6.3823   13.495   8.6502  -5.2354   9.4552   68.140   21.219   41.451   18.935 26.68959 28.43873 
1 1 1   22   25    5 o   48.064   14.330   1.6293   6.3648   2.3345   8.7478   0.8361   9.2779   48.465   20.176   47.662   20.355 0.8030663 28.66030 
1 1 1   22   25    6 o   57.366   13.924   6.0358   6.3556   16.518   8.6715  -6.1317   9.3424   74.461   20.768   40.271   18.553 34.18966 27.84784 
1 1 1   22   25    7 o   81.767   14.615   20.719   6.6531   26.162   8.8422   13.616   10.101   94.557   17.962   68.976   23.060 25.58118 29.23039 
1 1 1   22   25    8 o  158.314   8.6950   69.512   7.4029   69.913   10.014   69.029   10.993  159.021   11.654  157.608   12.908 1.413620 17.39006 
1 1 1   22   25    9 o  117.064   10.721   38.365   6.6862   30.380   9.1308   47.597   9.8181  103.624   16.306  130.504   13.922 -26.88039 21.44140 
1 1 1   22   25   10 o  156.420   7.9139   66.632   6.4426   71.261   10.806   64.080   8.0247  160.146   12.487  152.694   9.7256 7.452286 15.82786 
1 1 1   22   25   11 o   64.182   12.680   9.9214   5.4400   22.300   8.1616   0.0261   7.2973   86.888   17.976   41.476   17.888 45.41236 25.35998 
1 1 1   22   25   12 o   81.539   16.578   19.485   7.0557   0.0000   0.0000   19.485   7.0557  ?   ?    81.539   16.578      ?      ? 
1 1 1   22   25   13 o  178.841   8.0261   87.486   7.7564   0.0000   0.0000   87.486   7.7564  ?   ?   178.841   8.0261      ?      ? 
1 1 1   22   25   14 o  130.991   10.363   47.356   7.3352   0.0000   0.0000   47.356   7.3352  ?   ?   130.991   10.363      ?      ? 
1 1 1   22   25   15 o   91.420   13.123   23.401   6.4827   0.0000   0.0000   23.401   6.4827  ?   ?    91.420   13.123      ?      ? 
1 1 1   22   25   16 o   60.684   18.906   10.813   6.8664   0.0000   0.0000   10.813   6.8664  ?   ?    60.684   18.906      ?      ? 
1 1 1   22   25   17 o   85.913   15.511   21.551   6.9360   0.0000   0.0000   21.551   6.9360  ?   ?    85.913   15.511      ?      ? 
1 1 1   22   25   18 o   99.634   12.424   27.755   6.6887   0.0000   0.0000   27.755   6.6887  ?   ?    99.634   12.424      ?      ? 
1 1 1   22   25   19 o  113.352   11.604   35.807   7.1079   0.0000   0.0000   35.807   7.1079  ?   ?   113.352   11.604      ?      ? 
1 1 1   22   25   20 o  151.350   9.2657   63.198   7.5779   0.0000   0.0000   63.198   7.5779  ?   ?   151.350   9.2657      ?      ? 
1 1 1   22   25   21 o   62.566   20.439   11.650   7.9503   0.0000   0.0000   11.650   7.9503  ?   ?    62.566   20.439      ?      ? 
1 1 1   22   25   22 o  108.478   12.468   33.123   7.3083   0.0000   0.0000   33.123   7.3083  ?   ?   108.478   12.468      ?      ? 
1 1 1   22   25   23 o  127.599   10.139   45.261   6.9909   0.0000   0.0000   45.261   6.9909  ?   ?   127.599   10.139      ?      ? 
1 1 1   22   25   24 o   53.910   18.167   8.3676   6.2691   0.0000   0.0000   8.3676   6.2691  ?   ?    53.910   18.167      ?      ? 
1 1 1   22   25   25 o   70.804   16.958   15.227   6.4027   0.0000   0.0000   15.227   6.4027  ?   ?    70.804   16.958      ?      ? 
1 1 1   22   25   26 o  103.874   11.432   30.289   6.4169   0.0000   0.0000   30.289   6.4169  ?   ?   103.874   11.432      ?      ? 
1 1 1   22   25   27 o   36.375   15.755   0.0651   5.7088   0.0000   0.0000   0.0651   5.7088  ?   ?    36.375   15.755      ?      ? 
1 1 1   22   25   28 o   28.018   13.424  -7.2700   5.8154   0.0000   0.0000  -7.2700   5.8154  ?   ?    28.018   13.424      ?      ? 
1 1 1   22   25   29 o   72.126   16.086   15.831   6.1101   0.0000   0.0000   15.831   6.1101  ?   ?    72.126   16.086      ?      ? 
1 1 1   22   25   30 o  158.374   8.4696   69.626   7.2483   0.0000   0.0000   69.626   7.2483  ?   ?   158.374   8.4696      ?      ? 
1 1 1   22   25   31 o   97.984   12.529   27.744   6.6336   0.0000   0.0000   27.744   6.6336  ?   ?    97.984   12.529      ?      ? 
1 1 1   22   25   32 o   81.599   15.262   20.267   6.4820   0.0000   0.0000   20.267   6.4820  ?   ?    81.599   15.262      ?      ? 
1 1 1   22   25   33 o   43.824   17.640   3.8229   6.4111   0.0000   0.0000   3.8229   6.4111  ?   ?    43.824   17.640      ?      ? 
1 1 1   22   25   34 o   23.647   11.841 -16.6653   6.4193   0.0000   0.0000 -16.6653   6.4193  ?   ?    23.647   11.841      ?      ? 
1 1 1   22   25   35 o  122.702   10.222   43.066   6.7777   0.0000   0.0000   43.066   6.7777  ?   ?   122.702   10.222      ?      ? 
1 1 1   22   25   36 o  112.641   10.877   37.006   6.6206   0.0000   0.0000   37.006   6.6206  ?   ?   112.641   10.877      ?      ? 
1 1 1   22   25   37 o   87.985   13.516   23.115   6.4260   0.0000   0.0000   23.115   6.4260  ?   ?    87.985   13.516      ?      ? 
1 1 1   22   25   38 o   40.890   16.834   3.5431   5.9955   0.0000   0.0000   3.5431   5.9955  ?   ?    40.890   16.834      ?      ? 
1 1 1   22   26    0 o   73.903   15.840   16.338   6.9067   14.027   9.5962   18.822   9.9483   69.142   22.449   78.665   22.352 -9.523170 31.67904 
1 1 1   22   26    1 o   77.456   15.557   18.151   6.8509   15.774   9.5926   20.625   9.7878   72.566   22.303   82.346   21.694 -9.780266 31.11359 
1 1 1   22   26    2 o   59.645   14.589   5.8682   6.8634   18.793   9.9602  -5.8180   9.4709   78.588   22.378   40.701   18.725 37.88681 29.17817 
1 1 1   22   26    3 o  104.011   12.816   31.195   7.0288   27.762   9.5237   35.302   10.417   96.796   18.886  111.227   17.331 -14.43094 25.63298 
1 1 1   22   26    4 o   49.265   13.885  -1.5929   6.4682 -12.2036   8.6512   11.857   9.7401   33.416   16.104   65.113   22.624 -31.69765 27.76999 
1 1 1   22   26    5 f  117.534   11.231   39.237   7.1065   41.257   9.8266   37.022   10.290  120.998   15.029  114.071   16.693 6.927040 22.46187 
1 1 1   22   26    6 o  173.394   8.4886   83.485   7.9444   83.250   10.972   83.743   11.518  173.248   11.721  173.541   12.282 -0.2928009 16.97711 
1 1 1   22   26    7 o   80.160   14.637   19.788   6.5886   25.495   9.0718   13.417   9.5847   92.557   18.780   67.763   22.457 24.79364 29.27471 
1 1 1   22   26    8 o   36.541   12.157 -10.3159   6.2562 -16.4627   8.4758  -2.9586   9.2729   30.235   14.867   42.846   19.240 -12.61135 24.31493 
1 1 1   22   26    9 o  165.397   7.7325   75.984   6.7688   74.685   10.648   76.865   8.7683  163.779   12.032  167.016   9.7156 -3.236298 15.46492 
1 1 1   22   26   10 o  184.664   7.3572   87.925   6.9889  115.946   12.425   74.957   8.4528  204.368   11.251  164.960   9.4827 39.40736 14.71435 
1 1 1   22   26   11 o  161.519   9.8753   72.005   8.6191   0.0000   0.0000   72.005   8.6191  ?   ?   161.519   9.8753      ?      ? 
1 1 1   22   26   12 o   94.059   13.722   24.906   6.9745   0.0000   0.0000   24.906   6.9745  ?   ?    94.059   13.722      ?      ? 
1 1 1   22   26   13 o  145.994   9.8307   58.839   7.7555   0.0000   0.0000   58.839   7.7555  ?   ?   145.994   9.8307      ?      ? 
1 1 1   22   26   14 o  122.573   11.293   41.782   7.4798   0.0000   0.0000   41.782   7.4798  ?   ?   122.573   11.293      ?      ? 
1 1 1   22   26   15 o   53.410   19.082   7.5883   6.9651   0.0000   0.0000   7.5883   6.9651  ?   ?    53.410   19.082      ?      ? 
1 1 1   22   26   16 o  100.461   13.081   28.430   7.1013   0.0000   0.0000   28.430   7.1013  ?   ?   100.461   13.081      ?      ? 
1 1 1   22   26   17 o  105.376   12.683   31.251   7.2217   0.0000   0.0000   31.251   7.2217  ?   ?   105.376   12.683      ?      ? 
1 1 1   22   26   18 o   51.790   18.772   7.0569   6.7688   0.0000   0.0000   7.0569   6.7688  ?   ?    51.790   18.772      ?      ? 
1 1 1   22   26   19 o  122.806   11.046   42.128   7.3303   0.0000   0.0000   42.128   7.3303  ?   ?   122.806   11.046      ?      ? 
1 1 1   22   26   20 o   62.136   18.771   11.739   6.8341   0.0000   0.0000   11.739   6.8341  ?   ?    62.136   18.771      ?      ? 
1 1 1   22   26   21 o   81.605   18.192   20.394   7.8174   0.0000   0.0000   20.394   7.8174  ?   ?    81.605   18.192      ?      ? 
1 1 1   22   26   22 o   53.059   19.856   7.2452   7.6746   0.0000   0.0000   7.2452   7.6746  ?   ?    53.059   19.856      ?      ? 
1 1 1   22   26   23 o   60.050   18.083   10.929   6.3497   0.0000   0.0000   10.929   6.3497  ?   ?    60.050   18.083      ?      ? 
1 1 1   22   26   24 o   49.123   18.226   6.2091   6.4397   0.0000   0.0000   6.2091   6.4397  ?   ?    49.123   18.226      ?      ? 
1 1 1   22   26   25 o   68.104   17.364   14.331   6.4099   0.0000   0.0000   14.331   6.4099  ?   ?    68.104   17.364      ?      ? 
1 1 1   22   26   26 o   38.766   16.821   0.2671   6.5307   0.0000   0.0000   0.2671   6.5307  ?   ?    38.766   16.821      ?      ? 
1 1 1   22   26   27 f  117.736   10.609   39.025   6.7496   0.0000   0.0000   39.025   6.7496  ?   ?   117.736   10.609      ?      ? 
1 1 1   22   26   28 o   61.212   18.526   11.938   6.6524   0.0000   0.0000   11.938   6.6524  ?   ?    61.212   18.526      ?      ? 
1 1 1   22   26   29 o  141.915   9.4171   56.568   7.2216   0.0000   0.0000   56.568   7.2216  ?   ?   141.915   9.4171      ?      ? 
1 1 1   22   26   30 o   43.847   17.818   3.6527   6.6082   0.0000   0.0000   3.6527   6.6082  ?   ?    43.847   17.818      ?      ? 
1 1 1   22   26   31 o   94.127   13.030   25.591   6.6277   0.0000   0.0000   25.591   6.6277  ?   ?    94.127   13.030      ?      ? 
1 1 1   22   26   32 o   37.752   16.548   0.0949   6.4602   0.0000   0.0000   0.0949   6.4602  ?   ?    37.752   16.548      ?      ? 
1 1 1   22   26   33 o   47.235   17.982   6.5415   6.3567   0.0000   0.0000   6.5415   6.3567  ?   ?    47.235   17.982      ?      ? 
1 1 1   22   26   34 o   76.118   16.257   18.690   6.4837   0.0000   0.0000   18.690   6.4837  ?   ?    76.118   16.257      ?      ? 
1 1 1   22   26   35 o   58.894   18.181   11.515   6.3660   0.0000   0.0000   11.515   6.3660  ?   ?    58.894   18.181      ?      ? 
1 1 1   22   26   36 o  108.638   11.316   34.763   6.6430   0.0000   0.0000   34.763   6.6430  ?   ?   108.638   11.316      ?      ? 
1 1 1   22   27    0 o   66.675   21.204  -9.9445   15.736   17.883   26.494 -25.1126   19.560   84.172   35.083   49.178   23.825 34.99353 42.40776 
1 1 1   22   27    1 o  133.291   10.685   50.769   7.6342   56.276   10.616   44.870   10.987  141.324   13.901  125.258   16.232 16.06535 21.37085 
1 1 1   22   27    2 o  152.183   9.4473   65.308   7.7352   69.523   10.716   60.723   11.177  157.661   12.578  146.706   14.099 10.95442 18.89453 
1 1 1   22   27    3 o   70.562   15.299   14.668   6.4453   11.076   8.6165   19.232   9.7117   62.249   21.297   78.875   21.971 -16.62675 30.59817 
1 1 1   22   27    4 o   53.608   14.950   4.8692   6.5132   0.7656   8.6884   10.134   9.8409   45.587   19.589   61.628   22.590 -16.04036 29.90032 
1 1 1   22   27    5 o   52.426   14.428   4.4795   6.4556   10.864   8.5914  -3.7996   9.7836   61.791   21.261   43.061   19.510 18.73074 28.85583 
1 1 1   22   27    6 o  109.208   12.016   34.318   7.0882   33.843   9.8716   34.824   10.184  108.488   16.839  109.928   17.145 -1.439980 24.03125 
1 1 1   22   27    7 o   82.008   15.134   20.821   6.8056   23.120   9.5758   18.473   9.6742   86.787   20.708   77.229   22.076 9.558014 30.26804 
1 1 1   22   27    8 o   99.602   11.264   26.669   5.7481   34.054   10.277   23.306   6.9343  108.428   17.540   90.776   14.137 17.65201 22.52741 
1 1 1   22   27    9 o   54.332   14.339   7.2605   5.8412   2.4212   9.4854   10.217   7.4138   49.256   20.789   59.407   19.754 -10.15082 28.67751 
1 1 1   22   27   10 o   51.092   12.191  -2.3155   5.5072   17.680   8.6113 -16.1538   7.1637   75.681   20.534   26.503   13.147 49.17848 24.38248 
1 1 1   22   27   11 o  126.378   10.755   44.423   7.3450   0.0000   0.0000   44.423   7.3450  ?   ?   126.378   10.755      ?      ? 
1 1 1   22   27   12 o   79.512   17.404   19.032   7.2701   0.0000   0.0000   19.032   7.2701  ?   ?    79.512   17.404      ?      ? 
1 1 1   22   27   13 o   81.202   16.554   19.689   7.0174   0.0000   0.0000   19.689   7.0174  ?   ?    81.202   16.554      ?      ? 
1 1 1   22   27   14 o  206.538   8.2806  117.433   9.2417   0.0000   0.0000  117.433   9.2417  ?   ?   206.538   8.2806      ?      ? 
1 1 1   22   27   15 o  208.429   7.9806  119.501   8.9884   0.0000   0.0000  119.501   8.9884  ?   ?   208.429   7.9806      ?      ? 
1 1 1   22   27   16 o  135.214   10.476   50.991   7.6543   0.0000   0.0000   50.991   7.6543  ?   ?   135.214   10.476      ?      ? 
1 1 1   22   27   17 f  190.924   8.7813  100.757   9.0596   0.0000   0.0000  100.757   9.0596  ?   ?   190.924   8.7813      ?      ? 
1 1 1   22   27   18 o  131.292   14.964   49.677   10.616   0.0000   0.0000   49.677   10.616  ?   ?   131.292   14.964      ?      ? 
1 1 1   22   27   19 o   45.319   18.207   3.7671   6.8147   0.0000   0.0000   3.7671   6.8147  ?   ?    45.319   18.207      ?      ? 
1 1 1   22   27   20 f   52.401   18.475   7.6769   6.5084   0.0000   0.0000   7.6769   6.5084  ?   ?    52.401   18.475      ?      ? 
1 1 1   22   27   21 o   65.488   18.164   13.314   6.6528   0.0000   0.0000   13.314   6.6528  ?   ?    65.488   18.164      ?      ? 
1 1 1   22   27   22 o   82.450   18.713   21.260   8.1462   0.0000   0.0000   21.260   8.1462  ?   ?    82.450   18.713      ?      ? 
1 1 1   22   27   23 f  111.281   11.872   35.131   7.1391   0.0000   0.0000   35.131   7.1391  ?   ?   111.281   11.872      ?      ? 
1 1 1   22   27   24 o   46.663   18.152   5.1039   6.5766   0.0000   0.0000   5.1039   6.5766  ?   ?    46.663   18.152      ?      ? 
1 1 1   22   27   25 o   33.617   15.527  -3.7117   6.6047   0.0000   0.0000  -3.7117   6.6047  ?   ?    33.617   15.527      ?      ? 
1 1 1   22   27   26 o  156.075   9.1382   68.265   7.7070   0.0000   0.0000   68.265   7.7070  ?   ?   156.075   9.1382      ?      ? 
1 1 1   22   27   27 o   50.803   18.690   7.2355   6.7454   0.0000   0.0000   7.2355   6.7454  ?   ?    50.803   18.690      ?      ? 
1 1 1   22   27   28 o  187.222   8.4912   97.482   8.5905   0.0000   0.0000   97.482   8.5905  ?   ?   187.222   8.4912      ?      ? 
1 1 1   22   27   29 o   97.471   13.095   27.595   6.8973   0.0000   0.0000   27.595   6.8973  ?   ?    97.471   13.095      ?      ? 
1 1 1   22   27   30 o   64.872   18.335   14.096   6.7123   0.0000   0.0000   14.096   6.7123  ?   ?    64.872   18.335      ?      ? 
1 1 1   22   27   31 o  106.697   11.757   33.626   6.7785   0.0000   0.0000   33.626   6.7785  ?   ?   106.697   11.757      ?      ? 
1 1 1   22   27   32 o   48.353   18.243   6.7836   6.5056   0.0000   0.0000   6.7836   6.5056  ?   ?    48.353   18.243      ?      ? 
1 1 1   22   27   33 o   25.255   12.488 -12.0728   6.2710   0.0000   0.0000 -12.0728   6.2710  ?   ?    25.255   12.488      ?      ? 
1 1 1   22   27   34 o   86.757   13.898   23.237   6.5153   0.0000   0.0000   23.237   6.5153  ?   ?    86.757   13.898      ?      ? 
1 1 1   22   28    0 o   48.597   15.915  -4.7082   8.9711   1.1818   9.7781 -36.0360   22.551   48.123   20.731   49.072   24.152 -0.9487915 31.82938 
1 1 1   22   28    1 o   94.282   23.729   23.344   16.600   58.153   26.933   2.0200   21.080  122.700   37.308   65.864   29.332 56.83587 47.45816 
1 1 1   22   28    2 o  104.542   25.826   40.703   17.731   48.559   27.764   35.293   23.042  110.875   38.215   98.209   34.748 12.66576 51.65103 
1 1 1   22   28    3 o   99.379   24.959   33.968   16.607   50.518   27.076   23.986   21.027  113.349   37.753   85.409   32.659 27.94034 49.91882 
1 1 1   22   28    4 o   61.263   19.769  -5.5891   10.046   18.311   26.302  -9.6709   10.870   82.152   34.643   40.373   19.056 41.77928 39.53856 
1 1 1   22   28    5 o   48.178   14.294   1.3265   6.4175  -3.1461   8.5298   7.1607   9.7419   40.304   18.243   56.052   22.011 -15.74846 28.58833 
1 1 1   22   28    6 o   57.761   14.960   7.4589   6.6710   15.150   9.4733  -0.1063   9.3956   69.868   22.266   45.655   19.986 24.21285 29.92016 
1 1 1   22   28    7 o   46.228   13.935   1.3042   6.2474   4.2829   8.4532  -2.2811   9.2741   49.506   20.138   42.949   19.267 6.556126 27.87090 
1 1 1   22   28    8 o   53.174   14.741   5.3604   5.8882   10.340   10.306   2.9472   7.1744   61.514   23.011   44.833   18.431 16.68101 29.48242 
1 1 1   22   28    9 o   51.075   14.507   5.1721   5.9261   5.1374   9.9705   5.1910   7.3690   53.205   21.783   48.944   19.166 4.260521 29.01435 
1 1 1   22   28   10 o   54.690   19.413   8.3378   7.1975   0.0000   0.0000   8.3378   7.1975  ?   ?    54.690   19.413      ?      ? 
1 1 1   22   28   11 o  155.560   9.6161   67.184   8.0833   0.0000   0.0000   67.184   8.0833  ?   ?   155.560   9.6161      ?      ? 
1 1 1   22   28   12 o  103.436   13.117   30.395   7.3318   0.0000   0.0000   30.395   7.3318  ?   ?   103.436   13.117      ?      ? 
1 1 1   22   28   13 o  116.498   11.735   38.169   7.3875   0.0000   0.0000   38.169   7.3875  ?   ?   116.498   11.735      ?      ? 
1 1 1   22   28   14 o  180.929   9.2690   90.718   9.0621   0.0000   0.0000   90.718   9.0621  ?   ?   180.929   9.2690      ?      ? 
1 1 1   22   28   15 o  106.411   12.838   32.150   7.3819   0.0000   0.0000   32.150   7.3819  ?   ?   106.411   12.838      ?      ? 
1 1 1   22   28   16 o   42.910   17.825   2.4610   6.8068   0.0000   0.0000   2.4610   6.8068  ?   ?    42.910   17.825      ?      ? 
1 1 1   22   28   17 o   59.629   19.085   10.901   6.9542   0.0000   0.0000   10.901   6.9542  ?   ?    59.629   19.085      ?      ? 
1 1 1   22   28   18 o   66.593   18.426   13.866   6.8547   0.0000   0.0000   13.866   6.8547  ?   ?    66.593   18.426      ?      ? 
1 1 1   22   28   19 o   51.435   18.813   7.2270   6.8201   0.0000   0.0000   7.2270   6.8201  ?   ?    51.435   18.813      ?      ? 
1 1 1   22   28   20 o   67.524   18.402   14.379   6.8979   0.0000   0.0000   14.379   6.8979  ?   ?    67.524   18.402      ?      ? 
1 1 1   22   28   21 o  156.736   9.2524   68.789   7.8363   0.0000   0.0000   68.789   7.8363  ?   ?   156.736   9.2524      ?      ? 
1 1 1   22   28   22 o   52.610   19.083   8.1379   6.9962   0.0000   0.0000   8.1379   6.9962  ?   ?    52.610   19.083      ?      ? 
1 1 1   22   28   24 o   38.431   17.140  -1.0624   7.2253   0.0000   0.0000  -1.0624   7.2253  ?   ?    38.431   17.140      ?      ? 
1 1 1   22   28   25 o   50.285   18.987   6.7453   7.0508   0.0000   0.0000   6.7453   7.0508  ?   ?    50.285   18.987      ?      ? 
1 1 1   22   28   26 o   76.492   17.531   18.534   7.0912   0.0000   0.0000   18.534   7.0912  ?   ?    76.492   17.531      ?      ? 
1 1 1   22   28   27 f   44.943   18.048   4.9108   6.6933   0.0000   0.0000   4.9108   6.6933  ?   ?    44.943   18.048      ?      ? 
1 1 1   22   28   28 o   48.106   18.545   6.9243   6.8165   0.0000   0.0000   6.9243   6.8165  ?   ?    48.106   18.545      ?      ? 
1 1 1   22   28   29 o   32.267   15.147  -4.7324   6.7040   0.0000   0.0000  -4.7324   6.7040  ?   ?    32.267   15.147      ?      ? 
1 1 1   22   28   30 o   81.966   16.444   21.581   7.0299   0.0000   0.0000   21.581   7.0299  ?   ?    81.966   16.444      ?      ? 
1 1 1   22   28   31 o  100.003   13.007   30.305   7.0286   0.0000   0.0000   30.305   7.0286  ?   ?   100.003   13.007      ?      ? 
1 1 1   22   29    0 o  117.493   12.842   42.783   7.5792   53.516   10.375   30.501   11.099  136.764   14.039   98.223   21.507 38.54053 25.68346 
1 1 1   22   29    1 o   51.354   15.033   2.9479   6.9255  -1.5807   9.1513   9.0177   10.595   43.228   19.283   59.480   23.067 -16.25217 30.06533 
1 1 1   22   29    2 o  132.568   11.185   51.351   7.9471   54.981   10.873   47.188   11.644  138.342   14.545  126.794   16.995 11.54826 22.36931 
1 1 1   22   29    3 o  100.773   13.935   31.898   7.2743   36.130   9.5997   26.192   11.148  111.491   15.934   90.055   22.867 21.43670 27.87067 
1 1 1   22   29    4 o  113.123   19.628   34.025   9.2707   28.945   10.055   62.838   23.945   96.630   19.919  129.616   33.828 -32.98605 39.25655 
1 1 1   22   29    5 o   87.121   23.749   22.955   16.426   44.032   25.436   7.8784   21.514  104.777   36.552   69.464   30.330 35.31223 47.49703 
1 1 1   22   29    6 o  108.214   25.631   46.985   17.930   39.302   25.902   54.054   24.846   99.331   36.612  117.096   35.879 -17.76480 51.26159 
1 1 1   22   29    7 o   56.100   22.517   6.8744   10.413   0.0000   0.0000   6.8744   10.413  ?   ?    56.100   22.517      ?      ? 
1 1 1   22   29    8 o  101.302   20.911   32.248   11.067   0.0000   0.0000   32.248   11.067  ?   ?   101.302   20.911      ?      ? 
1 1 1   22   29    9 o   55.473   20.022   8.6156   7.6877   0.0000   0.0000   8.6156   7.6877  ?   ?    55.473   20.022      ?      ? 
1 1 1   22   29   10 o   64.764   19.434   13.085   7.3440   0.0000   0.0000   13.085   7.3440  ?   ?    64.764   19.434      ?      ? 
1 1 1   22   29   11 o   25.995   12.909 -15.6284   6.9770   0.0000   0.0000 -15.6284   6.9770  ?   ?    25.995   12.909      ?      ? 
1 1 1   22   29   12 o  104.217   13.348   31.177   7.5168   0.0000   0.0000   31.177   7.5168  ?   ?   104.217   13.348      ?      ? 
1 1 1   22   29   13 o   41.424   17.814   0.9813   7.1956   0.0000   0.0000   0.9813   7.1956  ?   ?    41.424   17.814      ?      ? 
1 1 1   22   29   14 o   47.169   18.781   4.6916   7.1842   0.0000   0.0000   4.6916   7.1842  ?   ?    47.169   18.781      ?      ? 
1 1 1   22   29   15 o  100.073   14.018   29.048   7.5803   0.0000   0.0000   29.048   7.5803  ?   ?   100.073   14.018      ?      ? 
1 1 1   22   29   16 o   58.637   19.929   10.703   7.5452   0.0000   0.0000   10.703   7.5452  ?   ?    58.637   19.929      ?      ? 
1 1 1   22   29   17 o   58.065   19.414   10.639   7.1589   0.0000   0.0000   10.639   7.1589  ?   ?    58.065   19.414      ?      ? 
1 1 1   22   29   18 f   55.171   19.733   9.2394   7.4504   0.0000   0.0000   9.2394   7.4504  ?   ?    55.171   19.733      ?      ? 
1 1 1   22   29   19 o   57.749   22.584   9.4047   10.222   0.0000   0.0000   9.4047   10.222  ?   ?    57.749   22.584      ?      ? 
1 1 1   22   29   20 f   50.531   18.921   6.9497   6.9708   0.0000   0.0000   6.9497   6.9708  ?   ?    50.531   18.921      ?      ? 
1 1 1   22   29   21 o   63.729   19.248   12.976   7.1868   0.0000   0.0000   12.976   7.1868  ?   ?    63.729   19.248      ?      ? 
1 1 1   22   29   22 o   30.311   14.567  -8.5160   6.9639   0.0000   0.0000  -8.5160   6.9639  ?   ?    30.311   14.567      ?      ? 
1 1 1   22   29   23 o  132.968   12.354   51.529   8.8765   0.0000   0.0000   51.529   8.8765  ?   ?   132.968   12.354      ?      ? 
1 1 1   22   29   24 o   30.505   14.968 -12.8726   8.4539   0.0000   0.0000 -12.8726   8.4539  ?   ?    30.505   14.968      ?      ? 
1 1 1   22   29   25 o   36.302   16.464  -1.2829   6.9871   0.0000   0.0000  -1.2829   6.9871  ?   ?    36.302   16.464      ?      ? 
1 1 1   22   29   26 o   71.508   18.465   17.087   7.1844   0.0000   0.0000   17.087   7.1844  ?   ?    71.508   18.465      ?      ? 
1 1 1   22   29   27 o  102.182   13.562   31.455   7.4887   0.0000   0.0000   31.455   7.4887  ?   ?   102.182   13.562      ?      ? 
1 1 1   22   29   28 f  125.766   11.439   46.774   7.7738   0.0000   0.0000   46.774   7.7738  ?   ?   125.766   11.439      ?      ? 
1 1 1   22   30    0 o   85.806   14.372   24.712   7.3759   36.499   9.8937   9.9641   11.067  111.072   16.484   60.540   23.548 50.53164 28.74432 
1 1 1   22   30    1 o   91.005   23.133   27.458   11.400   0.0000   0.0000   27.458   11.400  ?   ?    91.005   23.133      ?      ? 
1 1 1   22   30    2 o   89.382   13.339   27.877   7.5737   47.058   10.011   2.2037   11.582  127.323   14.550   51.441   22.360 75.88232 26.67756 
1 1 1   22   30    3 o  146.928   10.372   63.274   8.1186   67.052   10.863   58.494   12.219  152.958   13.143  140.897   16.049 12.06084 20.74360 
1 1 1   22   30    4 f   66.132   16.422   12.358   7.3431   7.1489   9.4222   20.415   11.719   54.541   21.574   77.722   24.765 -23.18079 32.84372 
1 1 1   22   30    5 o  100.321   14.340   31.518   7.4073   29.845   9.6185   33.957   11.612   97.987   18.850  102.655   21.616 -4.668289 28.68062 
1 1 1   22   30    6 o   48.432   14.056   2.8883   6.0354   8.6982   9.2013  -1.4991   7.9959   56.689   21.622   40.175   17.966 16.51390 28.11150 
1 1 1   22   30    7 o   49.056   14.292   4.2788   6.0973   5.2027   9.0591   3.5136   8.2442   50.969   20.804   47.143   19.603 3.826687 28.58436 
1 1 1   22   30    8 o   43.228   13.823  -2.1433   6.8643  -1.2273   9.0588  -3.3785   10.519   42.749   19.119   43.706   19.968 -0.9565506 27.64520 
1 1 1   22   30    9 o   85.964   22.612   24.893   10.644   0.0000   0.0000   24.893   10.644  ?   ?    85.964   22.612      ?      ? 
1 1 1   22   30   10 o   47.011   21.141  -0.7444   11.240   0.0000   0.0000  -0.7444   11.240  ?   ?    47.011   21.141      ?      ? 
1 1 1   22   30   11 o   98.503   23.054   33.247   12.054   0.0000   0.0000   33.247   12.054  ?   ?    98.503   23.054      ?      ? 
1 1 1   22   30   12 o   45.509   20.875  -2.9717   11.654   0.0000   0.0000  -2.9717   11.654  ?   ?    45.509   20.875      ?      ? 
1 1 1   22   30   13 o   74.131   24.955   19.492   11.830   0.0000   0.0000   19.492   11.830  ?   ?    74.131   24.955      ?      ? 
1 1 1   22   30   14 o   40.749   18.162  -0.8048   8.0987   0.0000   0.0000  -0.8048   8.0987  ?   ?    40.749   18.162      ?      ? 
1 1 1   22   30   15 o   28.184   13.902 -14.5930   7.6106   0.0000   0.0000 -14.5930   7.6106  ?   ?    28.184   13.902      ?      ? 
1 1 1   22   30   16 o   91.493   16.812   25.749   8.0055   0.0000   0.0000   25.749   8.0055  ?   ?    91.493   16.812      ?      ? 
1 1 1   22   30   17 o  116.365   12.677   39.025   7.9711   0.0000   0.0000   39.025   7.9711  ?   ?   116.365   12.677      ?      ? 
1 1 1   22   30   18 o   51.375   19.778   7.1530   7.7453   0.0000   0.0000   7.1530   7.7453  ?   ?    51.375   19.778      ?      ? 
1 1 1   22   30   19 o   40.382   17.664   1.0168   7.3258   0.0000   0.0000   1.0168   7.3258  ?   ?    40.382   17.664      ?      ? 
1 1 1   22   30   20 o   61.733   19.597   13.417   7.3439   0.0000   0.0000   13.417   7.3439  ?   ?    61.733   19.597      ?      ? 
1 1 1   22   30   21 o   63.147   19.542   13.969   7.3497   0.0000   0.0000   13.969   7.3497  ?   ?    63.147   19.542      ?      ? 
1 1 1   22   30   22 o   88.969   15.928   24.954   7.3765   0.0000   0.0000   24.954   7.3765  ?   ?    88.969   15.928      ?      ? 
1 1 1   22   30   23 o  135.163   10.499   52.596   7.6682   0.0000   0.0000   52.596   7.6682  ?   ?   135.163   10.499      ?      ? 
1 1 1   22   30   24 o   61.555   21.467   13.969   8.7732   0.0000   0.0000   13.969   8.7732  ?   ?    61.555   21.467      ?      ? 
1 1 1   22   30   25 o   68.895   19.468   17.099   7.5685   0.0000   0.0000   17.099   7.5685  ?   ?    68.895   19.468      ?      ? 
1 1 1   22   31    0 o   39.451   12.972  -8.1966   7.2343   1.0928   9.4261 -21.5094   11.284   45.427   19.949   33.476   16.588 11.95089 25.94438 
1 1 1   22   31    1 o   87.387   15.085   23.481   7.3829   12.659   9.3764   41.136   11.976   62.404   22.157  112.371   20.478 -49.96701 30.17046 
1 1 1   22   31    2 o  109.803   14.253   38.383   8.0596   34.387   10.503   44.107   12.569  103.396   19.514  116.209   20.779 -12.81316 28.50521 
1 1 1   22   31    3 o   84.516   16.181   23.384   7.8721   14.420   10.289   36.037   12.225   65.748   23.224  103.284   22.537 -37.53671 32.36206 
1 1 1   22   31    4 o   48.632   14.591   2.0701   7.2589   8.6762   9.2240  -8.6764   11.765   55.689   21.543   41.575   19.684 14.11454 29.18217 
1 1 1   22   31    5 o   82.154   15.042   22.557   6.7109   21.887   10.121   23.082   8.9650   80.164   22.464   84.144   20.009 -3.979996 30.08356 
1 1 1   22   31    6 o   60.559   13.304   4.3251   6.5713   25.901   10.083 -11.6077   8.6644   88.347   21.356   32.771   15.872 55.57550 26.60813 
1 1 1   22   31    7 o   33.714   11.541 -15.3605   6.4300  -3.7568   9.6250 -24.7130   8.6411   41.179   18.919   26.248   13.224 14.93046 23.08235 
1 1 1   22   31    8 f   65.314   21.053   13.886   8.4509   0.0000   0.0000   13.886   8.4509  ?   ?    65.314   21.053      ?      ? 
1 1 1   22   31    9 o  146.125   11.496   60.795   9.0772   0.0000   0.0000   60.795   9.0772  ?   ?   146.125   11.496      ?      ? 
1 1 1   22   31   10 o  224.270   14.250  147.168   17.270   0.0000   0.0000  147.168   17.270  ?   ?   224.270   14.250      ?      ? 
1 1 1   22   31   11 o   64.300   20.775   13.452   8.2257   0.0000   0.0000   13.452   8.2257  ?   ?    64.300   20.775      ?      ? 
1 1 1   22   31   12 o   61.059   20.478   12.081   7.9653   0.0000   0.0000   12.081   7.9653  ?   ?    61.059   20.478      ?      ? 
1 1 1   22   31   13 o   32.503   15.584  -8.4474   7.8677   0.0000   0.0000  -8.4474   7.8677  ?   ?    32.503   15.584      ?      ? 
1 1 1   22   31   14 o   46.042   20.956   0.0894   11.450   0.0000   0.0000   0.0894   11.450  ?   ?    46.042   20.956      ?      ? 
1 1 1   22   31   15 o   39.247   18.767  -7.7719   11.239   0.0000   0.0000  -7.7719   11.239  ?   ?    39.247   18.767      ?      ? 
1 1 1   22   31   16 o   47.590   21.215   2.7656   11.055   0.0000   0.0000   2.7656   11.055  ?   ?    47.590   21.215      ?      ? 
1 1 1   22   31   17 o   43.896   20.267  -2.4108   11.239   0.0000   0.0000  -2.4108   11.239  ?   ?    43.896   20.267      ?      ? 
1 1 1   22   31   18 o   98.998   22.942   35.299   12.033   0.0000   0.0000   35.299   12.033  ?   ?    98.998   22.942      ?      ? 
1 1 1   22   31   19 o   44.030   20.914  -6.4595   13.492   0.0000   0.0000  -6.4595   13.492  ?   ?    44.030   20.914      ?      ? 
1 1 1   22   31   20 o   62.948   22.022   15.013   9.2365   0.0000   0.0000   15.013   9.2365  ?   ?    62.948   22.022      ?      ? 
1 1 1   22   31   21 o   56.313   21.948   11.524   9.6286   0.0000   0.0000   11.524   9.6286  ?   ?    56.313   21.948      ?      ? 
1 1 1   22   32    0 o   39.884   13.613 -12.7095   8.6939 -11.5586   11.320 -14.3649   13.575   38.546   18.537   41.222   19.941 -2.676556 27.22573 
1 1 1   22   32    1 o   42.029   14.170  -9.2855   8.7358  -8.5180   11.221 -10.4662   13.918   40.213   19.093   43.844   20.942 -3.631706 28.33940 
1 1 1   22   32    2 o   57.900   16.999   6.8413   8.7159   0.5604   11.056   17.153   14.166   47.117   21.094   68.684   26.663 -21.56701 33.99784 
1 1 1   22   32    3 o   58.608   17.106   9.8916   8.5414   9.0788   10.702   11.318   14.176   56.155   22.726   61.061   25.574 -4.905453 34.21249 
1 1 1   22   32    4 o   67.275   18.036   15.795   9.0903   9.5518   11.824   24.820   14.216   56.980   23.566   77.570   27.309 -20.58994 36.07190 
1 1 1   22   32    5 o   54.051   16.287   7.6537   8.3198   9.3041   10.393   4.7095   13.882   55.121   22.365   52.981   23.684 2.140907 32.57433 
1 1 1   22   32    6 o   42.772   14.179  -3.6884   8.1337  -0.7694   10.016  -9.3401   13.937   42.739   19.510   42.805   20.580 -0.6595993E-01 28.35812 
1 1 1   22   32    7 o   96.863   27.043   39.550   14.696   0.0000   0.0000   39.550   14.696  ?   ?    96.863   27.043      ?      ? 
1 1 1   22   32    8 o   56.006   23.187   10.250   11.463   0.0000   0.0000   10.250   11.463  ?   ?    56.006   23.187      ?      ? 
1 1 1   22   32    9 o   48.772   21.532   3.7378   11.119   0.0000   0.0000   3.7378   11.119  ?   ?    48.772   21.532      ?      ? 
1 1 1   22   32   10 o  122.830   18.331   48.939   12.167   0.0000   0.0000   48.939   12.167  ?   ?   122.830   18.331      ?      ? 
1 1 1   22   32   11 o   54.172   22.534   7.9273   10.899   0.0000   0.0000   7.9273   10.899  ?   ?    54.172   22.534      ?      ? 
1 1 1   22   32   12 o   51.133   21.825   5.6809   10.656   0.0000   0.0000   5.6809   10.656  ?   ?    51.133   21.825      ?      ? 
1 1 1   22   32   13 o   59.671   23.243   12.445   10.793   0.0000   0.0000   12.445   10.793  ?   ?    59.671   23.243      ?      ? 
1 1 1   22   32   14 o   88.919   21.662   28.907   10.312   0.0000   0.0000   28.907   10.312  ?   ?    88.919   21.662      ?      ? 
1 1 1   22   32   15 o   82.322   21.918   25.564   9.9234   0.0000   0.0000   25.564   9.9234  ?   ?    82.322   21.918      ?      ? 
1 1 1   22   32   16 o   89.226   21.580   29.701   10.291   0.0000   0.0000   29.701   10.291  ?   ?    89.226   21.580      ?      ? 
1 1 1   22   33    0 o   51.159   15.494   2.6651   7.8346  -4.8985   10.112   14.025   12.393   39.829   18.667   62.488   24.734 -22.65868 30.98756 
1 1 1   22   33    1 o   90.799   16.725   30.772   8.1894   30.583   10.516   31.064   13.055   93.153   21.348   88.446   25.752 4.706200 33.44993 
1 1 1   22   33    2 o   46.102   14.424  -5.0860   7.4501 -16.0937   9.4199   13.299   12.174   31.166   15.391   61.039   24.401 -29.87271 28.84895 
1 1 1   22   33    3 o   45.666   14.470   0.2166   7.3699  -4.6194   9.6796   6.8869   11.368   38.893   18.240   52.439   22.467 -13.54599 28.93901 
1 1 1   22   33    4 o   45.638   14.176   2.8607   6.5113   4.4009   10.780   1.9761   8.1699   48.828   21.390   42.448   18.608 6.379364 28.35158 
1 1 1   22   33    5 o   55.289   14.634   9.8967   6.4884   2.2568   9.7380   15.996   8.7012   44.974   19.988   65.604   21.380 -20.62999 29.26844 
1 1 1   22   33    6 o   46.469   19.429   5.2948   8.1622   0.0000   0.0000   5.2948   8.1622  ?   ?    46.469   19.429      ?      ? 
1 1 1   22   33    7 o   87.537   18.067   26.095   8.2625   0.0000   0.0000   26.095   8.2625  ?   ?    87.537   18.067      ?      ? 
1 1 1   22   33    8 o   38.516   17.368  -0.0937   7.6460   0.0000   0.0000  -0.0937   7.6460  ?   ?    38.516   17.368      ?      ? 
1 1 1   23    0    0 o  139.173   6.8419   53.108   7.1960   53.108   7.1960   53.108   7.1960  139.173   9.6760  139.173   9.6760 0.000000 0.000000 
1 1 1   23    0    1 o  806.085   13.967  1761.71   85.922  1761.71   85.922  1761.71   85.922  806.085   19.753  806.085   19.753 0.000000 0.000000 
1 1 1   23    0    2 o  231.690   6.3741  145.743   11.247  145.743   11.247  145.743   11.247  231.690   9.0143  231.690   9.0143 0.000000 0.000000 
1 1 1   23    0    3 o  611.305   7.6976  1011.14   35.934  1011.14   35.934  1011.14   35.934  611.305   10.886  611.305   10.886 0.000000 0.000000 
1 1 1   23    0    4 f  191.299   4.4580   99.213   6.5011   99.213   6.5011   99.213   6.5011  191.299   6.3046  191.299   6.3046 0.000000 0.000000 
1 1 1   23    0    5 o  850.741   10.361  1959.06   67.313  1959.06   67.313  1959.06   67.313  850.741   14.652  850.741   14.652 0.000000 0.000000 
1 1 1   23    0    6 o   99.854   6.1412   27.555   4.6047   27.555   4.6047   27.555   4.6047   99.854   8.6850   99.854   8.6850 0.000000 0.000000 
1 1 1   23    0    7 o  418.927   5.7075  474.836   18.257  474.836   18.257  474.836   18.257  418.927   8.0716  418.927   8.0716 0.000000 0.000000 
1 1 1   23    0    8 o  141.867   4.9531   54.786   5.3400   54.786   5.3400   54.786   5.3400  141.867   7.0047  141.867   7.0047 0.000000 0.000000 
1 1 1   23    0    9 o   19.678   9.3177  -1.4807   3.8979  -1.4807   3.8979  -1.4807   3.8979   19.678   13.177   19.678   13.177 0.000000 0.000000 
1 1 1   23    0   10 o   52.689   11.627   9.4055   4.1052   9.4055   4.1052   9.4055   4.1052   52.689   16.443   52.689   16.443 0.000000 0.000000 
1 1 1   23    0   11 o  712.349   8.8082  1373.33   47.916  1373.33   47.916  1373.33   47.916  712.349   12.457  712.349   12.457 0.000000 0.000000 
1 1 1   23    0   12 o  311.947   4.8844  263.371   11.631  263.371   11.631  263.371   11.631  311.947   6.9076  311.947   6.9076 0.000000 0.000000 
1 1 1   23    0   15 o  308.335   4.9182  257.332   11.575  257.332   11.575  257.332   11.575  308.335   6.9553  308.335   6.9553 0.000000 0.000000 
1 1 1   23    0   17 o  499.751   6.6107  675.848   25.227  675.848   25.227  675.848   25.227  499.751   9.3490  499.751   9.3490 0.000000 0.000000 
1 1 1   23    0   19 o  159.405   4.9922   69.080   6.0542   69.080   6.0542   69.080   6.0542  159.405   7.0601  159.405   7.0601 0.000000 0.000000 
1 1 1   23    0   22 o  717.163   8.8673  1392.70   48.564  1392.70   48.564  1392.70   48.564  717.163   12.540  717.163   12.540 0.000000 0.000000 
1 1 1   23    0   25 o  439.876   5.9524  523.744   19.993  523.744   19.993  523.744   19.993  439.876   8.4180  439.876   8.4180 0.000000 0.000000 
1 1 1   23    0   26 o  608.596   7.7001  1003.18   35.786  1003.18   35.786  1003.18   35.786  608.596   10.890  608.596   10.890 0.000000 0.000000 
1 1 1   23    0   28 o  182.666   4.9453   90.610   6.8802   90.610   6.8802   90.610   6.8802  182.666   6.9937  182.666   6.9937 0.000000 0.000000 
1 1 1   23    0   29 o  803.702   9.8887  1752.24   60.693  1752.24   60.693  1752.24   60.693  803.702   13.985  803.702   13.985 0.000000 0.000000 
1 1 1   23    0   31 o  182.147   5.0637   90.151   7.0237   90.151   7.0237   90.151   7.0237  182.147   7.1612  182.147   7.1612 0.000000 0.000000 
1 1 1   23    0   32 o  208.354   5.0334  117.838   7.9930  117.838   7.9930  117.838   7.9930  208.354   7.1182  208.354   7.1182 0.000000 0.000000 
1 1 1   23    0   33 o  103.868   7.5587   30.148   5.8541   30.148   5.8541   30.148   5.8541  103.868   10.690  103.868   10.690 0.000000 0.000000 
1 1 1   23    0   34 o  234.984   5.1010  149.849   9.1405  149.849   9.1405  149.849   9.1405  234.984   7.2139  234.984   7.2139 0.000000 0.000000 
1 1 1   23    0   35 o  219.744   4.3462  130.928   7.2856  130.928   7.2856  130.928   7.2856  219.744   6.1465  219.744   6.1465 0.000000 0.000000 
1 1 1   23    0   37 o   39.903   12.488   6.2547   4.0116   6.2547   4.0116   6.2547   4.0116   39.903   17.660   39.903   17.660 0.000000 0.000000 
1 1 1   23    0   38 o  594.914   7.5599  962.249   34.344  962.249   34.344  962.249   34.344  594.914   10.691  594.914   10.691 0.000000 0.000000 
1 1 1   23    0   39 o   25.215   10.875   1.5403   3.9569   1.5403   3.9569   1.5403   3.9569   25.215   15.379   25.215   15.379 0.000000 0.000000 
1 1 1   23    0   40 o  155.486   4.7182   65.838   5.5828   65.838   5.5828   65.838   5.5828  155.486   6.6726  155.486   6.6726 0.000000 0.000000 
1 1 1   23    0   41 o  144.260   4.8674   56.781   5.3381   56.781   5.3381   56.781   5.3381  144.260   6.8836  144.260   6.8836 0.000000 0.000000 
1 1 1   23    0   42 o  170.517   4.6548   79.146   6.0450   79.146   6.0450   79.146   6.0450  170.517   6.5828  170.517   6.5828 0.000000 0.000000 
1 1 1   23    0   43 o  147.752   4.9871   59.606   5.6017   59.606   5.6017   59.606   5.6017  147.752   7.0528  147.752   7.0528 0.000000 0.000000 
1 1 1   23    0   44 o  393.946   5.5859  422.109   16.801  422.109   16.801  422.109   16.801  393.946   7.8997  393.946   7.8997 0.000000 0.000000 
1 1 1   23    0   45 o   19.902   9.5173  -1.9619   4.2575  -1.9619   4.2575  -1.9619   4.2575   19.902   13.459   19.902   13.459 0.000000 0.000000 
1 1 1   23    0   46 o  265.217   4.6714  191.285   9.4547  191.285   9.4547  191.285   9.4547  265.217   6.6064  265.217   6.6064 0.000000 0.000000 
1 1 1   23    0   47 o  215.251   4.6485  126.140   7.6304  126.140   7.6304  126.140   7.6304  215.251   6.5740  215.251   6.5740 0.000000 0.000000 
1 1 1   23    0   48 o   44.974   13.405   7.9762   4.6465   7.9762   4.6465   7.9762   4.6465   44.974   18.957   44.974   18.957 0.000000 0.000000 
1 1 1   23    0   49 o   19.206   9.6999  -9.2545   6.4256  -9.2545   6.4256  -9.2545   6.4256   19.206   13.718   19.206   13.718 0.000000 0.000000 
1 1 1   23    0   52 o   36.368   15.364   4.6171   7.5686   4.6171   7.5686   4.6171   7.5686   36.368   21.728   36.368   21.728 0.000000 0.000000 
1 1 1   23    0   53 o  197.447   5.0137  106.719   7.5429  106.719   7.5429  106.719   7.5429  197.447   7.0904  197.447   7.0904 0.000000 0.000000 
1 1 1   23    0   54 o   68.111   12.331   15.388   5.5481   15.388   5.5481   15.388   5.5481   68.111   17.438   68.111   17.438 0.000000 0.000000 
1 1 1   23    0   55 o  129.795   6.8176   47.110   6.6765   47.110   6.6765   47.110   6.6765  129.795   9.6415  129.795   9.6415 0.000000 0.000000 
1 1 1   23    0   56 o   27.561   12.511   0.9494   5.9956   0.9494   5.9956   0.9494   5.9956   27.561   17.694   27.561   17.694 0.000000 0.000000 
1 1 1   23    0   57 o   67.995   13.613   16.243   6.1264   16.243   6.1264   16.243   6.1264   67.995   19.252   67.995   19.252 0.000000 0.000000 
1 1 1   23    0   58 o  170.622   5.8685   80.953   7.6105   80.953   7.6105   80.953   7.6105  170.622   8.2993  170.622   8.2993 0.000000 0.000000 
1 1 1   23    1    0 o  892.488   15.296  2156.48   73.767   0.0000   0.0000  2156.48   73.767  ?   ?   892.488   15.296      ?      ? 
1 1 1   23    1    1 o  439.949   8.3422  523.271   19.832   0.0000   0.0000  523.271   19.832  ?   ?   439.949   8.3422      ?      ? 
1 1 1   23    1    2 o  1104.48   16.289  3305.92   91.416  3295.78  111.618  3326.58  159.322  1102.77   18.731  1106.18   26.654 -3.409302 32.57740 
1 1 1   23    1    3 o  359.432   5.1754  348.848   10.046  338.710   13.915  359.884   14.518  353.984   7.2748  364.879   7.3633 -10.89478 10.35089 
1 1 1   23    1    4 o  173.719   4.4831   81.626   4.2037   77.156   5.9439   86.098   5.9459  168.956   6.5105  178.483   6.1650 -9.526611 8.966260 
1 1 1   23    1    5 o  560.488   7.1352  849.503   21.610  844.315   30.457  854.763   30.666  558.764   10.087  562.211   10.094 -3.446533 14.27032 
1 1 1   23    1    6 o  666.896   8.2849  1203.09   29.856  1200.02   42.157  1206.18   42.289  666.044   11.713  667.749   11.720 -1.705200 16.56984 
1 1 1   23    1    7 o  684.435   8.4953  1266.76   31.410  1246.30   43.772  1288.47   45.098  678.748   11.934  690.122   12.093 -11.37433 16.99051 
1 1 1   23    1    8 o  850.191   10.341  1956.67   47.509  1961.02   67.367  1952.37   67.011  851.128   14.648  849.254   14.602 1.873840 20.68274 
1 1 1   23    1    9 f  1160.62   13.913  3652.13   87.254  3631.37  122.712  3673.37  124.091  1157.29   19.623  1163.94   19.730 -6.651123 27.82629 
1 1 1   23    1   10 o  464.041   6.1683  581.713   15.459  566.981   21.443  597.657   22.308  457.931   8.6655  470.152   8.7807 -12.22049 12.33660 
1 1 1   23    1   11 f  199.460   4.4156  107.372   4.7556  112.758   6.8755  102.431   6.5848  204.249   6.2296  194.671   6.2597 9.577972 8.831273 
1 1 1   23    1   12 o  909.558   15.605  2240.99   76.698   0.0000   0.0000  2240.99   76.698  ?   ?   909.558   15.605      ?      ? 
1 1 1   23    1   13 o  175.192   4.6691   82.888   4.4176   79.163   6.1502   86.859   6.3494  171.129   6.6509  179.255   6.5550 -8.126389 9.338208 
1 1 1   23    1   14 o  1221.92   14.660  4054.59   96.792  4083.01  137.915  4027.00  135.878  1226.12   20.816  1217.73   20.650 8.389282 29.32059 
1 1 1   23    1   15 o  493.411   9.1968  658.450   24.521   0.0000   0.0000  658.450   24.521  ?   ?   493.411   9.1968      ?      ? 
1 1 1   23    1   16 o  362.975   7.6141  356.214   14.934  356.214   14.934   0.0000   0.0000  362.975   7.6141  ?   ?       ?      ? 
1 1 1   23    1   18 o  249.514   4.8629  168.392   6.5526  171.019   9.1511  165.627   9.3869  251.516   6.7332  247.513   7.0184 4.002426 9.725898 
1 1 1   23    1   19 o  639.369   11.259  1106.41   38.899  1106.41   38.899   0.0000   0.0000  639.369   11.259  ?   ?       ?      ? 
1 1 1   23    1   21 o  527.648   6.8373  746.525   19.382  814.828   29.407  694.067   25.771  548.778   9.9167  506.518   9.4157 42.26001 13.67466 
1 1 1   23    1   22 o  556.430   10.007  837.932   30.090  837.932   30.090   0.0000   0.0000  556.430   10.007  ?   ?       ?      ? 
1 1 1   23    1   24 o  262.991   4.6697  187.448   6.6196  200.380   9.2916  174.120   9.4329  272.232   6.3163  253.750   6.8794 18.48183 9.339310 
1 1 1   23    1   26 o  772.891   13.413  1621.31   56.019  1621.31   56.019   0.0000   0.0000  772.891   13.413  ?   ?       ?      ? 
1 1 1   23    1   27 o  198.779   4.8134  107.582   5.1322  114.391   6.9946   99.643   7.5536  205.653   6.2942  191.904   7.2841 13.74869 9.626835 
1 1 1   23    1   28 o  582.256   7.4413  918.911   23.411  920.174   32.933  917.620   33.287  582.672   10.460  581.840   10.587 0.8315430 14.88270 
1 1 1   23    1   29 o   91.969   7.6673   22.239   3.7518   18.554   4.8397   27.790   5.9393   82.713   10.828  101.225   10.858 -18.51205 15.33462 
1 1 1   23    1   30 f  349.831   5.3120  331.279   10.024  330.053   13.764  332.664   14.628  349.163   7.2950  350.499   7.7234 -1.336456 10.62394 
1 1 1   23    1   31 o  232.773   4.8947  145.804   6.1058  140.201   8.0653  153.327   9.3453  227.590   6.5581  237.956   7.2679 -10.36679 9.789370 
1 1 1   23    1   33 o  195.115   7.9676  103.206   8.4006   0.0000   0.0000  103.206   8.4006  ?   ?   195.115   7.9676      ?      ? 
1 1 1   23    1   36 o   81.915   6.5897   18.234   2.9162   17.723   4.0834   18.767   4.1662   80.742   9.3591   83.088   9.2792 -2.346649 13.17939 
1 1 1   23    1   37 o   52.971   9.7479   7.9986   2.8196   8.4645   3.9081   7.4929   4.0719   54.502   13.371   51.440   14.188 3.061520 19.49575 
1 1 1   23    1   38 o   94.457   6.1171   24.220   3.0831   19.351   4.2279   29.750   4.5056   84.291   9.2823  104.623   7.9695 -20.33220 12.23414 
1 1 1   23    1   39 o  326.713   4.9432  289.192   8.7126  279.750   11.916  300.039   12.772  321.022   6.8690  332.404   7.1104 -11.38144 9.886395 
1 1 1   23    1   40 o  353.378   5.1824  339.415   9.8955  342.393   13.972  336.418   14.017  354.946   7.2848  351.810   7.3731 3.135925 10.36484 
1 1 1   23    1   41 o  223.031   4.4656  134.895   5.3761  131.057   7.3987  139.188   7.8252  219.690   6.2324  226.372   6.3971 -6.681992 8.931215 
1 1 1   23    1   42 o  205.090   4.4888  114.216   4.9717  112.344   6.8923  116.246   7.1787  203.353   6.2723  206.827   6.4231 -3.474380 8.977648 
1 1 1   23    1   43 o  104.281   6.0580   29.870   3.3948   32.139   4.6908   27.375   4.9192  108.535   7.9981  100.026   9.1010 8.509262 12.11601 
1 1 1   23    1   44 o   44.977   10.479   5.0613   3.0937   2.4395   4.2359   8.0589   4.5293   37.096   14.530   52.857   15.104 -15.76089 20.95804 
1 1 1   23    1   45 o   75.107   7.9201   15.580   3.2115   15.053   4.4286   16.164   4.6641   73.784   11.107   76.430   11.293 -2.645576 15.84025 
1 1 1   23    1   46 f  184.152   4.6386   92.364   4.6131   88.492   6.4056   96.536   6.6490  180.142   6.5805  188.163   6.5394 -8.020218 9.277216 
1 1 1   23    1   47 o   61.387   10.721   9.6514   3.7140   18.610   6.1317   4.4598   4.6677   79.962   14.734   42.812   15.578 37.14981 21.44198 
1 1 1   23    1   48 f  206.839   6.5210  118.280   7.2722  125.270   10.186  111.013   10.386  213.259   8.8390  200.419   9.5900 12.84045 13.04210 
1 1 1   23    1   49 o   62.782   13.016   12.077   4.8212   14.723   6.4661   8.7635   7.2348   69.743   17.253   55.822   19.493 13.92084 26.03118 
1 1 1   23    1   50 o  173.264   6.3612   82.842   5.5700   82.436   6.7703   83.694   9.7984  173.331   7.2284  173.197   10.469 0.1335754 12.72244 
1 1 1   23    1   51 o   96.054   9.3686   26.382   4.5573   26.668   5.5827   25.811   7.8903   97.715   10.573   94.393   15.469 3.322357 18.73712 
1 1 1   23    1   52 o  195.677   7.1581  107.149   7.5662  106.734   10.828  107.545   10.577  195.212   10.265  196.142   9.9791 -0.9305725 14.31615 
1 1 1   23    1   53 o   62.698   14.040   12.406   5.3611   13.687   7.4345   11.018   7.7382   65.633   19.522   59.762   20.183 5.871410 28.07972 
1 1 1   23    1   54 o  112.578   9.0735   38.251   5.0471   32.410   8.7066   41.208   6.1940  104.069   15.482  121.087   9.4664 -17.01785 18.14704 
1 1 1   23    1   55 o  116.940   10.129   38.496   6.4004   38.496   6.4004   0.0000   0.0000  116.940   10.129  ?   ?       ?      ? 
1 1 1   23    1   56 o  238.202   5.2874  157.672   6.8048  161.211   9.6494  154.172   9.5976  240.918   7.4121  235.486   7.5424 5.432098 10.57487 
1 1 1   23    1   57 o  104.952   8.4661   32.747   4.6159   43.455   6.6470   22.773   6.4149  123.032   9.9981   86.873   13.665 36.15937 16.93224 
1 1 1   23    1   58 o   99.220   8.5339   29.152   4.5727   28.303   6.4988   29.984   6.4352   97.606   12.322  100.835   11.810 -3.229004 17.06772 
1 1 1   23    2    0 o  667.861   10.149  1220.99   35.050  1158.78   58.016  1256.75   43.983  654.128   16.413  681.594   11.942 -27.46619 20.29794 
1 1 1   23    2    1 o  437.252   7.1481  521.758   16.116  500.901   26.932  533.393   20.115  430.321   11.582  444.183   8.3807 -13.86163 14.29613 
1 1 1   23    2    2 o  290.276   4.7164  227.743   7.3925  227.788   10.661  227.703   10.259  290.301   6.7965  290.251   6.5411 0.4971313E-01 9.432799 
1 1 1   23    2    3 o  468.072   7.5699  588.821   17.991  581.809   21.900  603.378   31.554  463.891   8.7366  472.253   12.365 -8.362274 15.13984 
1 1 1   23    2    4 o  380.275   5.3696  390.839   11.033  383.782   15.494  398.097   15.714  376.793   7.6097  383.757   7.5778 -6.963776 10.73925 
1 1 1   23    2    5 o  680.571   8.4419  1252.49   31.037  1232.18   43.285  1273.99   44.528  674.898   11.869  686.244   12.008 -11.34644 16.88382 
1 1 1   23    2    6 o  640.417   8.0106  1109.23   27.719  1096.86   38.923  1121.95   39.486  636.797   11.311  644.037   11.346 -7.239685 16.02111 
1 1 1   23    2    7 o  568.188   7.2333  872.467   22.199  852.445   30.863  893.931   31.955  561.441   10.173  574.935   10.286 -13.49341 14.46663 
1 1 1   23    2    8 o  546.161   6.9997  806.648   20.657  806.193   29.319  807.096   29.110  546.006   9.9371  546.315   9.8609 -0.3094482 13.99940 
1 1 1   23    2    9 o  618.517   7.7786  1034.73   25.997  1026.69   36.623  1042.91   36.910  616.093   11.001  620.941   11.000 -4.848328 15.55720 
1 1 1   23    2   10 o  604.922   7.6249  989.247   24.915  970.231   34.672  1009.55   35.828  598.918   10.713  610.925   10.853 -12.00726 15.24984 
1 1 1   23    2   11 o  278.679   4.7113  210.002   7.0916  206.695   10.130  213.180   9.9308  276.525   6.7796  280.833   6.5441 -4.308838 9.422695 
1 1 1   23    2   12 o  325.110   4.9797  285.732   8.7476  285.368   12.440  286.088   12.303  324.904   7.0856  325.316   6.9988 -0.4121399 9.959323 
1 1 1   23    2   13 o  112.432   5.9711   34.213   3.6075   34.483   4.8626   33.883   5.3802  112.930   7.9684  111.934   8.8950 0.9963074 11.94221 
1 1 1   23    2   14 o  665.477   8.3206  1198.27   29.914  1210.65   42.843  1186.49   41.787  668.823   11.855  662.132   11.679 6.690430 16.64115 
1 1 1   23    2   15 f  841.972   10.289  1920.21   46.810  1910.52   65.922  1930.08   66.480  839.831   14.526  844.113   14.575 -4.281921 20.57751 
1 1 1   23    2   16 o  631.573   11.255  1079.34   38.412   0.0000   0.0000  1079.34   38.412  ?   ?   631.573   11.255      ?      ? 
1 1 1   23    2   17 o  314.061   7.1800  266.662   12.185   0.0000   0.0000  266.662   12.185  ?   ?   314.061   7.1800      ?      ? 
1 1 1   23    2   18 o  207.621   4.8516  116.371   5.4307  114.177   7.4035  118.925   7.9903  205.510   6.6668  209.732   7.0503 -4.222137 9.703245 
1 1 1   23    2   21 o  270.369   4.6617  198.411   6.7438  203.652   8.9985  191.696   10.186  274.471   6.0672  266.266   7.0792 8.205078 9.323401 
1 1 1   23    2   22 o  469.293   6.2249  595.515   15.779  619.432   22.584  572.702   22.057  478.500   8.7343  460.087   8.8718 18.41272 12.44977 
1 1 1   23    2   23 o  278.059   4.6915  209.735   6.9808  214.179   9.3044  204.011   10.559  281.457   6.1177  274.661   7.1144 6.795563 9.383003 
1 1 1   23    2   24 o  764.274   13.219  1583.35   54.592  1583.35   54.592   0.0000   0.0000  764.274   13.219  ?   ?       ?      ? 
1 1 1   23    2   25 o  498.111   9.0330  671.580   24.313  671.580   24.313   0.0000   0.0000  498.111   9.0330  ?   ?       ?      ? 
1 1 1   23    2   26 f  202.932   4.6964  113.712   4.9793  121.869   6.4183  101.381   7.8915  212.296   5.5949  193.567   7.5447 18.72905 9.392794 
1 1 1   23    2   27 o  318.244   6.6005  273.962   11.351  273.962   11.351   0.0000   0.0000  318.244   6.6005  ?   ?       ?      ? 
1 1 1   23    2   29 o  414.379   7.9219  464.893   17.738  464.893   17.738   0.0000   0.0000  414.379   7.9219  ?   ?       ?      ? 
1 1 1   23    2   32 o  330.551   5.2497  294.583   9.2829  286.532   12.215  305.591   14.282  325.283   6.9493  335.819   7.8704 -10.53595 10.49935 
1 1 1   23    2   33 o  328.926   5.2860  291.181   9.2942  280.138   12.179  306.582   14.382  321.570   7.0087  336.282   7.9148 -14.71182 10.57194 
1 1 1   23    2   35 o  167.105   4.0602   75.983   3.6218   78.222   4.8046   73.035   5.5120  170.001   5.2302  164.209   6.2119 5.792343 8.120485 
1 1 1   23    2   36 o  217.641   4.2843  128.368   5.0362  130.304   7.0495  126.349   7.1973  219.328   5.9481  215.953   6.1677 3.374573 8.568552 
1 1 1   23    2   37 o  234.698   4.3626  149.213   5.5252  147.599   7.6000  151.023   8.0468  233.370   6.0268  236.026   6.3092 -2.656509 8.725130 
1 1 1   23    2   38 o   66.608   8.1503   12.605   2.8083   14.625   3.8260   10.246   4.1350   73.250   9.6661   59.965   13.125 13.28476 16.30060 
1 1 1   23    2   39 o  151.735   4.6373   62.754   3.7851   67.164   5.2431   57.954   5.4700  157.365   6.1658  146.105   6.9284 11.26074 9.274644 
1 1 1   23    2   40 o   73.513   7.8796   15.482   2.9494   18.030   3.9520   12.279   4.4312   81.321   8.9935   65.706   12.941 15.61546 15.75914 
1 1 1   23    2   41 o  150.587   6.4112   61.599   5.2169   61.599   5.2169   0.0000   0.0000  150.587   6.4112  ?   ?       ?      ? 
1 1 1   23    2   42 o   55.892   9.7952   8.9104   2.9327   8.0360   3.9255   10.015   4.4118   52.861   13.649   58.923   14.053 -6.062447 19.59035 
1 1 1   23    2   43 o   56.243   9.7563   9.2669   2.9835   11.286   4.0895   6.9698   4.3622   62.835   12.484   49.652   14.996 13.18315 19.51257 
1 1 1   23    2   44 o   85.976   7.1193   20.137   3.2817   16.935   4.4282   24.039   4.8879   78.408   10.451   93.545   9.6698 -15.13653 14.23861 
1 1 1   23    2   45 o   36.275   10.862   0.1383   3.7945   2.5360   5.2093  -2.5721   5.5384   39.939   15.963   32.612   14.736 7.327152 21.72491 
1 1 1   23    2   46 o  155.612   6.4835   66.413   5.4425   63.108   7.4363   70.225   7.9868  151.482   9.0846  159.743   9.2526 -8.261230 12.96693 
1 1 1   23    2   47 o  132.489   7.1216   48.268   5.0831   43.559   6.9338   53.739   7.4737  125.493   10.225  139.485   9.9156 -13.99166 14.24323 
1 1 1   23    2   48 o  319.316   6.2312  280.344   10.117  279.311   12.368  282.432   17.586  319.467   7.1646  319.165   10.197 0.3017578 12.46233 
1 1 1   23    2   49 o  129.356   5.7173   46.013   3.9927   45.743   5.5227   46.309   5.7792  129.004   7.9224  129.708   8.2454 -0.7046967 11.43462 
1 1 1   23    2   50 o  124.569   6.0480   43.156   4.0257   50.230   5.6800   36.016   5.7065  135.133   7.7785  114.005   9.2632 21.12839 12.09596 
1 1 1   23    2   51 o  210.655   4.8884  121.569   5.5625  119.024   7.7421  124.284   7.9973  208.394   6.8752  212.916   6.9510 -4.521286 9.776767 
1 1 1   23    2   52 o  184.817   5.1102   94.000   5.0988   98.988   7.2376   89.085   7.1844  189.762   7.0582  179.871   7.3917 9.891525 10.22032 
1 1 1   23    2   53 o  207.321   7.4286  121.012   8.3203  119.662   11.621  122.432   11.918  206.195   10.430  208.446   10.581 -2.251297 14.85721 
1 1 1   23    2   54 o  178.792   7.7075   90.869   7.4348   97.883   10.664   84.234   10.371  185.724   10.626  171.859   11.168 13.86453 15.41504 
1 1 1   23    2   55 o  109.745   15.438   35.698   9.1551   35.698   9.1551   0.0000   0.0000  109.745   15.438  ?   ?       ?      ? 
1 1 1   23    2   56 o   99.086   8.4515   28.582   4.5233   28.629   6.3129   28.533   6.4843   99.278   11.768   98.894   12.134 0.3847504 16.90298 
1 1 1   23    2   57 o  140.007   6.4814   55.601   4.9008   53.681   6.8012   57.675   7.0682  137.504   9.1534  142.509   9.1786 -5.004822 12.96270 
1 1 1   23    2   58 o   66.446   11.713   14.742   4.3850   20.273   6.2278   9.3047   6.1751   79.995   14.957   52.898   18.029 27.09671 23.42583 
1 1 1   23    3    0 o  499.488   9.1693  674.855   24.744  663.964   34.596  686.261   35.405  495.366   12.924  503.610   13.010 -8.244141 18.33868 
1 1 1   23    3    1 o  529.558   8.3874  750.359   22.472  735.607   27.214  781.982   39.844  521.575   9.6558  537.541   13.717 -15.96600 16.77488 
1 1 1   23    3    2 o  506.843   8.0317  693.737   20.717  698.198   36.012  691.531   25.328  507.963   13.120  505.723   9.2681 2.239868 16.06336 
1 1 1   23    3    3 o   78.586   7.7257   16.843   3.2518   14.623   4.6757   18.922   4.5254   73.523   11.769   83.650   10.012 -10.12742 15.45135 
1 1 1   23    3    4 o  621.844   9.5516  1043.08   30.249  1036.42   36.979  1056.53   52.588  619.021   11.055  624.666   15.579 -5.644226 19.10316 
1 1 1   23    3    5 o  652.939   8.1527  1153.18   28.764  1145.09   40.528  1161.39   40.831  650.631   11.527  655.247   11.532 -4.616272 16.30536 
1 1 1   23    3    6 o  517.374   6.7186  723.815   18.782  721.696   26.681  725.897   26.445  516.620   9.5575  518.127   9.4452 -1.506531 13.43723 
1 1 1   23    3    7 o  773.797   9.4966  1619.96   39.702  1598.01   55.531  1642.91   56.785  768.442   13.373  779.153   13.487 -10.71082 18.99325 
1 1 1   23    3    8 o  581.040   7.3859  912.973   23.189  902.140   32.596  924.073   32.995  577.550   10.444  584.529   10.446 -6.978516 14.77182 
1 1 1   23    3    9 o  636.814   7.9832  1096.69   27.467  1079.78   38.406  1114.39   39.296  631.794   11.250  641.834   11.330 -10.04047 15.96649 
1 1 1   23    3   10 o  617.777   7.7907  1031.68   25.996  1008.24   36.125  1056.86   37.440  610.509   10.950  625.046   11.085 -14.53680 15.58148 
1 1 1   23    3   11 o  887.205   10.792  2130.81   51.721  2093.07   71.941  2171.18   74.409  879.097   15.144  895.314   15.380 -16.21783 21.58487 
1 1 1   23    3   12 o  335.141   5.1004  303.580   9.2347  294.703   12.964  312.724   13.158  330.167   7.2664  340.115   7.1592 -9.948090 10.20072 
1 1 1   23    3   13 o  840.901   10.278  1914.62   46.689  1885.24   65.135  1945.66   66.960  834.282   14.448  847.520   14.621 -13.23761 20.55528 
1 1 1   23    3   14 f  336.543   7.2409  306.207   13.168   0.0000   0.0000  306.207   13.168  ?   ?   336.543   7.2409      ?      ? 
1 1 1   23    3   16 o  101.984   6.8166   28.716   3.6343   30.798   4.6900   25.586   5.7497  106.724   8.1326   97.244   10.942 9.480225 13.63322 
1 1 1   23    3   17 o  282.530   6.9333  215.799   10.585   0.0000   0.0000  215.799   10.585  ?   ?   282.530   6.9333      ?      ? 
1 1 1   23    3   18 o  472.753   8.9856  604.508   22.955   0.0000   0.0000  604.508   22.955  ?   ?   472.753   8.9856      ?      ? 
1 1 1   23    3   19 o  183.667   5.2437   91.177   5.2042   91.177   5.2042   0.0000   0.0000  183.667   5.2437  ?   ?       ?      ? 
1 1 1   23    3   20 o  497.489   6.5187  669.441   17.519  691.753   24.901  647.573   24.652  505.703   9.1123  489.274   9.3241 16.42868 13.03741 
1 1 1   23    3   21 o  411.650   7.6947  458.266   17.116  458.266   17.116   0.0000   0.0000  411.650   7.6947  ?   ?       ?      ? 
1 1 1   23    3   22 o  171.998   4.7123   81.243   3.9023   82.810   4.5999   77.222   7.3706  175.033   4.8634  168.962   8.0728 6.070435 9.424573 
1 1 1   23    3   23 o  223.663   5.1750  135.224   6.2545  135.224   6.2545   0.0000   0.0000  223.663   5.1750  ?   ?       ?      ? 
1 1 1   23    3   27 o  237.676   7.4518  152.860   9.5705  152.860   9.5705   0.0000   0.0000  237.676   7.4518  ?   ?       ?      ? 
1 1 1   23    3   28 o  604.655   10.696  991.201   34.947  991.201   34.947   0.0000   0.0000  604.655   10.696  ?   ?       ?      ? 
1 1 1   23    3   30 o  306.609   5.0115  256.604   8.1929  269.394   10.905  240.032   12.414  315.509   6.3963  297.709   7.7166 17.79987 10.02291 
1 1 1   23    3   33 o  116.676   6.7271   37.591   3.6199   38.185   4.1692   35.771   7.2964  118.740   6.4978  114.613   11.781 4.126961 13.45415 
1 1 1   23    3   36 o  148.149   4.3937   59.679   3.5035   62.561   4.8231   56.459   5.0977  151.972   5.8732  144.326   6.5365 7.646393 8.787497 
1 1 1   23    3   37 o  281.529   6.3343  214.893   9.6363  214.893   9.6363   0.0000   0.0000  281.529   6.3343  ?   ?       ?      ? 
1 1 1   23    3   38 o   86.337   6.1917   20.475   2.8571   21.958   3.8609   18.680   4.2479   89.880   7.9495   82.794   9.4950 7.085953 12.38342 
1 1 1   23    3   39 o  219.197   4.3717  130.450   5.1721  137.110   7.2925  123.709   7.3366  224.856   6.0019  213.537   6.3581 11.31880 8.743473 
1 1 1   23    3   40 o  139.844   4.7741   52.795   3.5857   50.369   4.7718   55.942   5.4347  136.204   6.4833  143.483   7.0095 -7.278717 9.548127 
1 1 1   23    3   41 o  343.062   5.1281  320.041   9.4983  316.077   13.128  324.395   13.759  340.876   7.1273  345.249   7.3752 -4.373444 10.25629 
1 1 1   23    3   42 o  131.996   5.6502   47.707   4.0005   45.631   5.9544   49.416   5.4010  129.284   8.5232  134.708   7.4198 -5.423752 11.30038 
1 1 1   23    3   43 o   83.420   9.0729   19.270   3.8123   12.119   5.0531   28.716   5.8081   64.641   14.787  102.200   10.517 -37.55895 18.14581 
1 1 1   23    3   44 f  117.777   6.9756   37.376   4.3609   28.739   5.7733   48.851   6.6546  102.120   10.462  133.433   9.2293 -31.31209 13.95121 
1 1 1   23    3   45 o  118.367   6.4134   36.341   3.9413   31.358   4.8271   46.306   6.8266  107.009   8.3480  129.724   9.7385 -22.71517 12.82683 
1 1 1   23    3   46 o  195.366   6.4475  104.065   6.8065  104.065   6.8065   0.0000   0.0000  195.366   6.4475  ?   ?       ?      ? 
1 1 1   23    3   47 o  254.107   6.5772  176.190   9.0313  176.190   9.0313   0.0000   0.0000  254.107   6.5772  ?   ?       ?      ? 
1 1 1   23    3   48 o  182.367   4.8463   91.009   4.7698   92.595   6.6192   89.296   6.8795  184.083   6.6543  180.651   7.0474 3.432297 9.692544 
1 1 1   23    3   49 f  123.954   5.8251   42.175   3.8957   39.832   5.3369   44.847   5.6997  120.287   8.2107  127.620   8.2651 -7.332779 11.65020 
1 1 1   23    3   50 o   97.940   6.9743   26.530   3.6754   23.361   5.0193   30.195   5.3969   91.586   10.142  104.294   9.5763 -12.70749 13.94867 
1 1 1   23    3   51 o  155.095   5.3744   66.354   4.4903   70.202   6.2434   62.230   6.4627  159.900   7.2258  150.291   7.9577 9.608810 10.74885 
1 1 1   23    3   52 o  139.096   5.8812   53.562   4.4151   53.912   6.1083   53.179   6.3889  139.659   8.0940  138.532   8.5347 1.127090 11.76237 
1 1 1   23    3   53 o   47.996   11.822   6.3471   3.9536   9.1828   5.3943   3.0556   5.8116   54.732   16.709   41.260   16.730 13.47269 23.64431 
1 1 1   23    3   54 o   52.611   12.511   2.7050   4.6552  -3.7719   5.5188   18.680   8.6673   30.241   14.046   74.980   20.708 -44.73895 25.02246 
1 1 1   23    3   55 o  328.036   12.432   73.289   10.032   33.153   10.269  911.712   46.935  102.245   19.294  553.827   15.683 -451.5822 24.86440 
1 1 1   23    3   56 o  127.688   10.793   50.235   7.3999   44.279   10.425   56.284   10.506  119.057   16.204  136.319   14.263 -17.26224 21.58664 
1 1 1   23    3   57 o  142.928   6.7148   58.048   5.1835   56.138   7.1955   60.109   7.4735  140.500   9.4775  145.355   9.5148 -4.855515 13.42968 
1 1 1   23    3   58 o   50.099   12.789   8.1500   4.4616   9.1018   6.1425   7.0871   6.4913   52.210   17.976   47.988   18.195 4.221634 25.57712 
1 1 1   23    4    0 o  213.539   6.1729  122.718   7.1052  112.140   9.7018  134.955   10.435  203.658   8.8158  223.420   8.6430 -19.76202 12.34585 
1 1 1   23    4    1 o  673.998   11.818  1230.26   43.037  1238.96   61.389  1221.85   60.350  676.334   16.797  671.662   16.628 4.671509 23.63563 
1 1 1   23    4    2 o  486.431   8.9664  640.188   23.568  642.117   33.462  638.288   33.199  487.157   12.711  485.705   12.649 1.451233 17.93284 
1 1 1   23    4    3 o  1143.64   19.444  3557.42  120.160  3551.80  169.709  3563.06  170.156  1142.74   27.483  1144.55   27.512 -1.802002 38.88769 
1 1 1   23    4    4 o  544.368   8.5551  795.807   23.666  784.653   28.817  818.919   41.480  538.668   9.8999  550.068   13.955 -11.40021 17.11012 
1 1 1   23    4    5 o  948.448   14.112  2419.75   67.571  2385.59   81.780  2493.24  119.956  938.566   16.125  958.329   23.164 -19.76306 28.22406 
1 1 1   23    4    6 o  390.136   5.5376  411.199   11.663  417.159   16.921  405.805   16.098  392.823   7.9713  387.448   7.6888 5.374756 11.07519 
1 1 1   23    4    7 o  227.891   4.5280  140.296   5.5604  141.358   8.1896  139.388   7.5737  228.688   6.6272  227.095   6.1718 1.593338 9.055986 
1 1 1   23    4    8 o  280.651   6.5648  212.898   9.9559   0.0000   0.0000  212.898   9.9559  ?   ?   280.651   6.5648      ?      ? 
1 1 1   23    4    9 o  798.867   9.8097  1723.69   42.279  1662.09   57.839  1794.38   61.956  783.598   13.660  814.137   14.083 -30.53864 19.61937 
1 1 1   23    4   10 o  843.350   10.322  1923.14   46.990  1865.88   64.715  1986.99   68.341  830.114   14.427  856.586   14.765 -26.47284 20.64304 
1 1 1   23    4   11 o  101.660   6.2896   27.597   3.3587   37.868   5.0640   19.530   4.4879  118.346   7.9187   84.974   9.7739 33.37138 12.57916 
1 1 1   23    4   12 o  550.783   9.9904  820.602   29.734   0.0000   0.0000  820.602   29.734  ?   ?   550.783   9.9904      ?      ? 
1 1 1   23    4   13 o   85.919   7.0343   19.977   3.2635   20.176   4.5431   19.764   4.6911   86.365   9.7347   85.474   10.157 0.8910294 14.06857 
1 1 1   23    4   14 o  610.105   7.7689  1004.57   25.567  965.919   34.916  1049.26   37.542  597.497   10.814  622.713   11.157 -25.21558 15.53785 
1 1 1   23    4   15 o  367.740   7.6357  365.628   15.173   0.0000   0.0000  365.628   15.173  ?   ?   367.740   7.6357      ?      ? 
1 1 1   23    4   16 o  515.909   6.8100  719.605   18.975  730.067   27.347  709.891   26.351  519.516   9.7414  512.301   9.5190 7.215515 13.62008 
1 1 1   23    4   17 o  319.435   7.2585  275.885   12.529   0.0000   0.0000  275.885   12.529  ?   ?   319.435   7.2585      ?      ? 
1 1 1   23    4   18 o  436.119   6.0459  514.382   14.248  509.248   20.078  519.588   20.221  433.927   8.5630  438.311   8.5375 -4.384460 12.09188 
1 1 1   23    4   19 o  299.467   4.8659  243.536   7.7380  248.536   10.108  236.456   12.027  303.216   6.1689  295.718   7.5267 7.498291 9.731733 
1 1 1   23    4   20 o  313.630   7.7428  265.994   13.122   0.0000   0.0000  265.994   13.122  ?   ?   313.630   7.7428      ?      ? 
1 1 1   23    4   21 o  326.435   7.7626  288.200   13.693   0.0000   0.0000  288.200   13.693  ?   ?   326.435   7.7626      ?      ? 
1 1 1   23    4   22 o  301.539   7.6275  245.925   12.428   0.0000   0.0000  245.925   12.428  ?   ?   301.539   7.6275      ?      ? 
1 1 1   23    4   23 o  227.324   7.6160  139.770   9.3554   0.0000   0.0000  139.770   9.3554  ?   ?   227.324   7.6160      ?      ? 
1 1 1   23    4   25 o  270.805   7.6127  198.427   11.140   0.0000   0.0000  198.427   11.140  ?   ?   270.805   7.6127      ?      ? 
1 1 1   23    4   27 o   79.009   16.545   17.626   6.8371   0.0000   0.0000   17.626   6.8371  ?   ?    79.009   16.545      ?      ? 
1 1 1   23    4   30 o   73.653   17.786   15.436   6.9990   0.0000   0.0000   15.436   6.9990  ?   ?    73.653   17.786      ?      ? 
1 1 1   23    4   32 o  279.714   8.1165  212.101   12.268   0.0000   0.0000  212.101   12.268  ?   ?   279.714   8.1165      ?      ? 
1 1 1   23    4   34 o  121.258   11.921   40.088   7.8110   0.0000   0.0000   40.088   7.8110  ?   ?   121.258   11.921      ?      ? 
1 1 1   23    4   35 o  207.476   5.8702  123.480   5.1702  127.997   5.8057  106.171   11.365  217.476   4.9403  197.476   10.650 20.00072 11.74038 
1 1 1   23    4   36 o  132.648   4.4297   47.304   3.1616   43.503   4.2404   52.062   4.7443  126.700   6.1935  138.595   6.3349 -11.89497 8.859484 
1 1 1   23    4   37 o  215.318   5.8509  125.650   6.8075  125.650   6.8075   0.0000   0.0000  215.318   5.8509  ?   ?       ?      ? 
1 1 1   23    4   38 o  166.064   4.8864   74.343   4.3342   78.131   6.7252   71.652   5.6685  169.608   7.3379  162.520   6.4546 7.088028 9.772740 
1 1 1   23    4   39 o  233.912   5.6853  147.113   7.1381  134.302   9.4514  164.122   10.891  222.229   7.8706  245.595   8.2063 -23.36630 11.37054 
1 1 1   23    4   40 o  437.674   8.2676  526.206   19.553  531.982   27.732  520.495   27.572  440.081   11.661  435.267   11.723 4.814575 16.53519 
1 1 1   23    4   41 o  235.626   5.8149  151.467   7.3997  154.820   10.374  147.995   10.558  238.324   8.0556  232.926   8.3882 5.397949 11.62986 
1 1 1   23    4   42 o  250.543   5.9921  171.428   8.1088  177.230   11.469  165.631   11.466  254.826   8.3293  246.260   8.6163 8.566681 11.98411 
1 1 1   23    4   43 f  341.201   5.1730  317.203   9.5303  314.249   13.195  320.424   13.780  339.592   7.1905  342.810   7.4389 -3.217804 10.34600 
1 1 1   23    4   44 o   64.499   9.0652   12.752   3.1062   19.036   4.2557   5.5868   4.5442   83.250   9.4601   45.747   15.467 37.50306 18.13045 
1 1 1   23    4   45 o   59.113   9.8004   10.372   3.1107   12.670   4.2463   7.7105   4.5700   66.515   12.266   51.712   15.288 14.80278 19.60070 
1 1 1   23    4   46 o   54.591   10.637   8.5878   3.2385   7.2537   4.3382   10.267   4.8671   50.131   14.913   59.052   15.172 -8.920464 21.27399 
1 1 1   23    4   47 o   98.796   6.6557   26.615   3.5252   22.441   4.7356   31.802   5.2793   90.140   9.7223  107.452   9.0922 -17.31252 13.31135 
1 1 1   23    4   48 o  138.426   5.4989   52.954   4.0835   58.147   5.6570   47.305   5.9004  145.719   7.1843  131.133   8.3269 14.58611 10.99778 
1 1 1   23    4   49 o  211.745   6.5959  122.651   7.5470  122.651   7.5470   0.0000   0.0000  211.745   6.5959  ?   ?       ?      ? 
1 1 1   23    4   50 o   99.548   7.0636   27.242   3.7752   23.651   5.0513   31.785   5.6821   92.161   10.143  106.935   9.8334 -14.77396 14.12722 
1 1 1   23    4   51 o   79.663   8.6887   17.923   3.7327   17.004   5.0852   18.998   5.4964   77.498   12.143   81.828   12.431 -4.329903 17.37735 
1 1 1   23    4   52 o   32.273   10.237  -1.8957   3.7608  -0.0137   5.1005  -4.1380   5.5673   34.283   14.870   30.263   14.074 4.019951 20.47415 
1 1 1   23    4   53 o  212.462   5.3269  124.878   6.1069  124.290   8.4070  125.534   8.8859  212.063   7.3365  212.862   7.7253 -0.7987213 10.65385 
1 1 1   23    4   54 o  130.658   7.0213   48.152   4.9462   50.188   6.8779   45.972   7.1183  133.738   9.5173  127.579   10.325 6.158554 14.04262 
1 1 1   23    4   55 o   57.415   14.973   2.6543   5.6102  -2.5106   6.2725   23.311   12.544   34.105   15.518   80.725   25.611 -46.62011 29.94559 
1 1 1   23    4   56 o   89.202   16.955   31.221   8.5364   25.360   12.494   36.351   11.691   78.408   25.623   99.995   22.213 -21.58654 33.91088 
1 1 1   23    4   57 o   75.780   18.129   22.320   8.7601   25.698   13.401   19.800   11.576   79.679   26.561   71.881   24.681 7.798576 36.25836 
1 1 1   23    4   58 o  125.601   12.562   45.793   6.9870   65.811   15.895   40.998   7.7788  134.320   21.899  116.883   12.316 17.43716 25.12494 
1 1 1   23    5    0 o  892.066   10.852  2154.49   52.311  2142.65   73.740  2166.49   74.221  889.600   15.340  894.533   15.355 -4.933289 21.70440 
1 1 1   23    5    1 o  569.797   7.3135  877.695   22.507  888.219   32.419  867.902   31.272  573.086   10.469  566.507   10.216 6.579102 14.62704 
1 1 1   23    5    2 o  538.828   9.7573  785.578   28.406  774.324   39.770  797.297   40.586  534.893   13.759  542.764   13.838 -7.871460 19.51454 
1 1 1   23    5    3 o  158.323   6.4005   67.513   5.4644   73.604   7.9992   62.185   7.4823  164.992   8.9721  151.653   9.1306 13.33954 12.80101 
1 1 1   23    5    4 o  703.135   12.270  1338.77   46.604  1315.54   64.890  1363.51   66.974  696.852   17.233  709.418   17.471 -12.56561 24.53969 
1 1 1   23    5    5 o  1196.08   20.315  3890.00  131.171  3795.04  180.809  3995.50  190.585  1180.81   28.337  1211.35   29.116 -30.53564 40.62915 
1 1 1   23    5    6 o  358.008   10.034  346.622   19.411   0.0000   0.0000  346.622   19.411  ?   ?   358.008   10.034      ?      ? 
1 1 1   23    5    7 o  334.444   9.5792  302.477   17.312   0.0000   0.0000  302.477   17.312  ?   ?   334.444   9.5792      ?      ? 
1 1 1   23    5    8 o  443.890   6.1097  532.834   14.653  523.259   20.746  542.364   20.698  439.907   8.7275  447.873   8.5524 -7.965576 12.21941 
1 1 1   23    5    9 o  405.838   5.7319  445.337   12.568  435.266   17.743  455.479   17.805  401.230   8.1837  410.446   8.0279 -9.215820 11.46383 
1 1 1   23    5   10 o  458.147   8.7347  567.599   21.624   0.0000   0.0000  567.599   21.624  ?   ?   458.147   8.7347      ?      ? 
1 1 1   23    5   11 o  426.242   5.9266  491.233   13.649  480.133   19.204  502.563   19.402  421.374   8.4342  431.109   8.3284 -9.734741 11.85318 
1 1 1   23    5   12 o  608.486   7.7434  999.553   25.424  960.971   34.834  1043.54   37.192  595.960   10.817  621.012   11.083 -25.05219 15.48673 
1 1 1   23    5   13 o  321.822   5.1475  280.085   8.9400  278.407   12.956  281.610   12.352  320.896   7.4714  322.748   7.0826 -1.851837 10.29494 
1 1 1   23    5   14 o  494.023   6.5922  660.000   17.592  663.234   25.246  656.947   24.527  495.194   9.4348  492.853   9.2094 2.340332 13.18441 
1 1 1   23    5   15 o  397.495   5.7487  426.395   12.336  405.540   17.014  449.504   17.911  387.270   8.1303  407.721   8.1295 -20.45157 11.49740 
1 1 1   23    5   16 o  379.689   5.6850  389.703   11.654  392.931   16.867  386.754   16.120  381.187   8.1888  378.191   7.8880 2.995697 11.37004 
1 1 1   23    5   17 o  858.337   10.553  1996.25   48.940  1969.85   68.605  2023.60   69.833  852.566   14.892  864.109   14.956 -11.54260 21.10531 
1 1 1   23    5   20 o  144.187   10.283   56.267   8.0119   0.0000   0.0000   56.267   8.0119  ?   ?   144.187   10.283      ?      ? 
1 1 1   23    5   21 f   93.692   14.372   23.806   7.2761   0.0000   0.0000   23.806   7.2761  ?   ?    93.692   14.372      ?      ? 
1 1 1   23    5   22 o  300.980   7.9016  245.032   12.851   0.0000   0.0000  245.032   12.851  ?   ?   300.980   7.9016      ?      ? 
1 1 1   23    5   23 o  184.441   8.9260   92.057   8.8961   0.0000   0.0000   92.057   8.8961  ?   ?   184.441   8.9260      ?      ? 
1 1 1   23    5   24 o  328.872   8.0864  292.673   14.371   0.0000   0.0000  292.673   14.371  ?   ?   328.872   8.0864      ?      ? 
1 1 1   23    5   25 o  301.045   8.0128  245.273   13.035   0.0000   0.0000  245.273   13.035  ?   ?   301.045   8.0128      ?      ? 
1 1 1   23    5   27 o  207.765   8.5768  116.883   9.6291   0.0000   0.0000  116.883   9.6291  ?   ?   207.765   8.5768      ?      ? 
1 1 1   23    5   28 o  176.327   9.3564   84.253   8.9149   0.0000   0.0000   84.253   8.9149  ?   ?   176.327   9.3564      ?      ? 
1 1 1   23    5   29 o  129.561   11.816   45.601   8.2721   0.0000   0.0000   45.601   8.2721  ?   ?   129.561   11.816      ?      ? 
1 1 1   23    5   30 o   68.418   19.042   13.222   7.2984   0.0000   0.0000   13.222   7.2984  ?   ?    68.418   19.042      ?      ? 
1 1 1   23    5   34 o  298.273   10.611  242.117   17.102   0.0000   0.0000  242.117   17.102  ?   ?   298.273   10.611      ?      ? 
1 1 1   23    5   36 o  224.330   5.3512  135.389   6.4574  122.297   8.6657  151.734   9.6831  212.247   7.5557  236.412   7.5798 -24.16440 10.70246 
1 1 1   23    5   37 o  309.568   6.3613  256.744   10.538  232.432   13.780  290.991   16.355  292.265   8.7252  326.870   9.2595 -34.60449 12.72270 
1 1 1   23    5   38 o   69.727   8.0049   13.464   2.9454   12.212   4.0794   14.829   4.2572   65.790   11.914   73.664   10.695 -7.874535 16.00986 
1 1 1   23    5   39 o  151.192   4.9940   62.198   4.0003   62.604   5.1811   61.599   6.2945  151.887   6.3127  150.497   7.7401 1.389740 9.987946 
1 1 1   23    5   40 o  201.235   6.0596  109.930   6.5892  109.930   6.5892   0.0000   0.0000  201.235   6.0596  ?   ?       ?      ? 
1 1 1   23    5   41 o  269.289   4.7335  197.192   6.8857  198.917   9.6411  195.397   9.8376  270.515   6.5955  268.062   6.7915 2.452606 9.467050 
1 1 1   23    5   42 o   32.371   9.5328   0.7986   2.7296   1.1382   3.5252   0.2900   4.3134   31.835   12.984   32.908   13.961 -1.072994 19.06556 
1 1 1   23    5   43 o  165.209   4.8352   74.776   4.2824   78.532   5.7980   70.267   6.3523  169.899   6.3154  160.519   7.3235 9.379852 9.670458 
1 1 1   23    5   44 o  132.842   5.3275   48.280   3.7945   48.966   5.0817   47.415   5.7048  134.003   7.0178  131.680   8.0173 2.323395 10.65493 
1 1 1   23    5   45 f   47.986   10.660   6.2411   3.1009   4.5914   4.1072   8.4280   4.7289   42.170   14.689   53.802   15.451 -11.63230 21.31945 
1 1 1   23    5   46 o  175.711   6.5870   84.227   6.2543   84.227   6.2543   0.0000   0.0000  175.711   6.5870  ?   ?       ?      ? 
1 1 1   23    5   47 o  166.874   5.1016   76.121   4.5819   75.376   6.1955   77.020   6.8071  166.063   6.9043  167.686   7.5124 -1.623795 10.20321 
1 1 1   23    5   48 f   37.299   10.579   2.1285   3.3004   3.4751   4.4414   0.4681   4.9318   39.708   15.051   34.890   14.869 4.817944 21.15744 
1 1 1   23    5   49 o  215.658   4.9051  127.758   5.6977  138.564   8.0234  116.766   8.0925  225.023   6.5985  206.292   7.2596 18.73125 9.810256 
1 1 1   23    5   50 o  256.300   4.9978  179.536   6.8895  174.363   9.2505  185.980   10.324  252.315   6.7848  260.285   7.3403 -7.969818 9.995650 
1 1 1   23    5   51 o  136.765   6.1113   51.773   4.4912   51.372   6.0324   52.271   6.7273  136.346   8.1877  137.184   9.0750 -0.8381348 12.22266 
1 1 1   23    5   52 o  232.048   5.2247  148.127   6.5394  145.055   8.9446  151.655   9.5847  229.573   7.2103  234.523   7.5632 -4.949753 10.44942 
1 1 1   23    5   53 o  218.345   5.4160  132.327   6.3807  135.646   8.8619  128.754   9.1947  221.371   7.4083  215.319   7.9025 6.051880 10.83201 
1 1 1   23    5   54 o   63.540   17.757   12.754   6.3331   12.754   6.3331   0.0000   0.0000   63.540   17.757  ?   ?       ?      ? 
1 1 1   23    5   55 o   55.537   18.076   9.6118   6.2202   9.6118   6.2202   0.0000   0.0000   55.537   18.076  ?   ?       ?      ? 
1 1 1   23    5   56 o   74.533   12.597   23.622   5.8191   29.789   6.6492   3.4437   12.027   99.990   12.306   49.075   21.984 50.91468 25.19377 
1 1 1   23    5   57 o  154.753   12.070   74.293   9.9540   85.495   15.738   66.824   12.851  163.224   17.844  146.283   16.257 16.94174 24.13923 
1 1 1   23    5   58 o   55.805   16.781   4.8968   9.5129   24.482   14.909  -8.5518   12.355   71.571   27.469   40.039   19.282 31.53189 33.56112 
1 1 1   23    6    0 o  275.377   4.9433  205.142   7.3487  200.327   10.550  209.681   10.242  272.232   7.1716  278.522   6.8053 -6.290100 9.886538 
1 1 1   23    6    1 o  159.951   7.7439   69.162   6.6932   69.162   6.6932   0.0000   0.0000  159.951   7.7439  ?   ?       ?      ? 
1 1 1   23    6    2 o  523.784   6.8737  741.619   19.451  725.141   27.211  758.836   27.815  517.837   9.7245  529.732   9.7172 -11.89465 13.74736 
1 1 1   23    6    3 o  618.573   7.8562  1034.55   26.254  1013.43   36.649  1056.80   37.627  612.095   11.080  625.052   11.140 -12.95703 15.71241 
1 1 1   23    6    4 o  185.908   5.6483   93.808   5.4773   92.005   8.9664   94.881   6.9181  184.462   8.9954  187.354   6.8333 -2.892075 11.29655 
1 1 1   23    6    5 f  664.231   10.159  1193.25   34.437  1198.20   59.488  1190.76   42.233  665.045   16.553  663.417   11.781 1.628235 20.31760 
1 1 1   23    6    6 o  711.399   12.411  1369.68   47.660  1330.63   65.612  1413.29   69.345  700.709   17.328  722.088   17.772 -21.37885 24.82163 
1 1 1   23    6    7 o  180.912   5.9563   88.225   5.8097   92.365   8.5720   84.707   7.9012  184.823   8.5830  177.001   8.2609 7.822189 11.91259 
1 1 1   23    6    8 o  756.672   13.121  1546.28   53.476  1475.68   72.219  1631.98   79.566  737.698   18.117  775.647   18.983 -37.94849 26.24109 
1 1 1   23    6    9 o  499.994   9.1124  676.514   24.615  664.414   34.414  689.189   35.223  495.420   12.855  504.567   12.919 -9.147308 18.22479 
1 1 1   23    6   10 o  769.490   13.323  1598.37   55.180  1518.92   74.174  1696.85   82.574  748.271   18.344  790.709   19.326 -42.43781 26.64594 
1 1 1   23    6   11 o  504.903   8.0857  685.005   20.999  674.289   25.886  705.631   35.912  499.287   9.5945  510.518   13.018 -11.23138 16.17148 
1 1 1   23    6   12 o  676.391   10.405  1211.65   35.136  1169.44   41.924  1311.26   64.407  657.353   11.802  695.430   17.139 -38.07690 20.80989 
1 1 1   23    6   13 o  322.031   5.2418  280.460   9.1147  267.167   12.855  293.899   12.925  314.351   7.5679  329.711   7.2548 -15.36063 10.48353 
1 1 1   23    6   14 o  476.108   6.4656  612.780   16.630  595.974   23.241  630.415   23.807  469.420   9.1622  482.795   9.1254 -13.37515 12.93130 
1 1 1   23    6   15 o   62.808   9.4376   11.038   3.0705   11.379   4.7610   10.796   4.0177   63.565   14.217   62.052   12.416 1.512630 18.87514 
1 1 1   23    6   16 o  346.669   7.6357  324.963   14.304   0.0000   0.0000  324.963   14.304  ?   ?   346.669   7.6357      ?      ? 
1 1 1   23    6   17 o  465.220   9.0235  585.407   22.684   0.0000   0.0000  585.407   22.684  ?   ?   465.220   9.0235      ?      ? 
1 1 1   23    6   18 o  361.100   8.4080  352.650   16.406   0.0000   0.0000  352.650   16.406  ?   ?   361.100   8.4080      ?      ? 
1 1 1   23    6   19 f  571.787   10.687  884.936   33.020   0.0000   0.0000  884.936   33.020  ?   ?   571.787   10.687      ?      ? 
1 1 1   23    6   20 o  181.653   9.2254   89.290   9.0556   0.0000   0.0000   89.290   9.0556  ?   ?   181.653   9.2254      ?      ? 
1 1 1   23    6   21 o  467.564   9.3906  591.604   23.726   0.0000   0.0000  591.604   23.726  ?   ?   467.564   9.3906      ?      ? 
1 1 1   23    6   24 o  206.224   8.7444  115.130   9.7444   0.0000   0.0000  115.130   9.7444  ?   ?   206.224   8.7444      ?      ? 
1 1 1   23    6   27 o  221.860   10.848  133.491   13.005   0.0000   0.0000  133.491   13.005  ?   ?   221.860   10.848      ?      ? 
1 1 1   23    6   28 o  315.450   10.913  270.045   18.602   0.0000   0.0000  270.045   18.602  ?   ?   315.450   10.913      ?      ? 
1 1 1   23    6   29 o   62.299   23.291   8.2072   10.556   0.0000   0.0000   8.2072   10.556  ?   ?    62.299   23.291      ?      ? 
1 1 1   23    6   35 o  150.183   12.142   66.455   8.1374   70.248   9.3658   54.775   16.436  160.522   10.797  139.844   21.751 20.67833 24.28318 
1 1 1   23    6   36 o  456.158   7.7237  564.006   17.674  579.505   31.703  557.016   21.289  459.794   12.760  452.522   8.7064 7.272247 15.44730 
1 1 1   23    6   38 o  256.453   4.5585  178.388   6.3153  184.444   9.0229  172.572   8.8421  260.725   6.4044  252.180   6.4887 8.544601 9.116958 
1 1 1   23    6   39 o   81.621   6.5050   18.135   2.8636   19.780   4.1551   16.647   3.9521   85.152   9.0302   78.090   9.3658 7.062492 13.01009 
1 1 1   23    6   40 o   88.789   6.3114   21.535   3.0253   22.680   4.2929   20.406   4.2642   91.156   8.7152   86.422   9.1312 4.733192 12.62271 
1 1 1   23    6   41 o   43.849   9.3908   4.6010   2.8532   9.2818   3.9731  -0.3834   4.0998   56.807   13.195   30.890   13.365 25.91761 18.78151 
1 1 1   23    6   42 o  302.588   4.9431  249.367   8.0804  253.688   11.374  244.964   11.482  305.267   6.8951  299.909   7.0848 5.358185 9.886175 
1 1 1   23    6   43 o   63.303   9.2897   11.636   3.1146   13.949   4.2572   8.9722   4.5686   71.061   11.087   55.546   14.909 15.51524 18.57938 
1 1 1   23    6   44 o  193.942   4.7277  102.674   4.9398  112.100   7.0029   93.338   6.9692  202.890   6.3875  184.995   6.9716 17.89526 9.455312 
1 1 1   23    6   45 o  175.209   4.8921   84.077   4.6161   90.289   6.4537   77.570   6.6052  181.948   6.5641  168.471   7.2556 13.47670 9.784255 
1 1 1   23    6   46 o  231.013   4.8022  145.861   5.9879  152.056   8.4098  139.492   8.5279  236.063   6.5928  225.964   6.9841 10.09912 9.604369 
1 1 1   23    6   47 o  151.908   5.2057   63.364   4.2483   64.810   5.7471   61.621   6.3079  153.947   6.9086  149.868   7.7891 4.079330 10.41148 
1 1 1   23    6   48 o  104.103   6.6783   29.613   3.7242   27.165   4.8900   32.995   5.7469   99.129   9.1288  109.077   9.7502 -9.947876 13.35669 
1 1 1   23    6   49 o  103.402   6.9169   29.323   3.8364   26.520   5.0650   33.095   5.8759   97.738   9.5903  109.066   9.9701 -11.32760 13.83389 
1 1 1   23    6   50 o  154.207   5.5382   65.703   4.5620   67.247   6.0569   63.678   6.9353  156.542   7.1603  151.871   8.4509 4.671204 11.07647 
1 1 1   23    6   51 o  151.561   5.7983   63.559   4.7080   63.805   6.2723   63.242   7.1254  152.130   7.6299  150.991   8.7331 1.139114 11.59667 
1 1 1   23    6   52 o  150.819   6.0015   63.543   4.8508   67.099   6.5797   59.310   7.1795  155.777   7.8166  145.861   9.1090 9.916153 12.00301 
1 1 1   23    6   53 o  144.582   6.2424   58.327   4.8623   57.000   6.5944   59.908   7.1977  142.941   8.5376  146.223   9.1093 -3.283020 12.48480 
1 1 1   23    6   55 o   35.448   10.919  -1.3501   4.3590   3.7638   5.5977  -9.2288   6.9480   41.481   16.558   29.416   14.238 12.06490 21.83827 
1 1 1   23    6   56 o   99.105   8.8194   28.904   4.6914   27.445   6.2279   30.818   7.1333   96.605   11.930  101.605   12.992 -5.000076 17.63884 
1 1 1   23    6   57 o  129.107   9.1400   45.705   5.8071   40.136   6.7726   61.171   11.286  117.577   10.660  140.637   14.850 -23.06042 18.28000 
1 1 1   23    7    0 f  298.198   5.1057  240.434   8.2168  239.116   11.905  241.633   11.355  297.413   7.4078  298.982   7.0284 -1.569031 10.21144 
1 1 1   23    7    1 o   94.122   8.0329   23.681   4.0401   29.281   6.0529   19.181   5.4257  104.044   10.766   84.199   11.925 19.84451 16.06589 
1 1 1   23    7    2 o  871.214   10.656  2054.48   50.150  2019.61   69.913  2091.44   71.977  863.614   14.981  878.813   15.157 -15.19946 21.31121 
1 1 1   23    7    3 o  421.538   6.0141  480.527   13.697  471.866   19.410  489.119   19.331  417.750   8.5983  425.326   8.4111 -7.575348 12.02822 
1 1 1   23    7    4 o  476.644   6.4845  613.502   16.690  590.377   23.083  638.833   24.159  467.247   9.1424  486.041   9.1984 -18.79398 12.96898 
1 1 1   23    7    5 o  1325.98   19.439  4813.49  132.404  4709.46  224.019  4869.34  164.142  1313.20   31.569  1338.76   22.690 -25.55835 38.87747 
1 1 1   23    7    6 o  620.751   7.9466  1040.58   26.625  1001.91   36.599  1084.06   38.805  608.533   11.130  632.970   11.345 -24.43677 15.89328 
1 1 1   23    7    7 o  1112.28   16.544  3319.61   92.139  3248.24  110.551  3481.98  166.740  1094.24   18.697  1130.33   27.299 -36.09204 33.08789 
1 1 1   23    7    8 o  604.473   7.7711  987.503   25.367  957.471   35.103  1020.33   36.698  594.871   10.920  614.075   11.059 -19.20422 15.54224 
1 1 1   23    7    9 o  759.795   11.433  1572.16   44.686  1540.09   75.438  1589.49   55.464  753.420   18.530  766.170   13.397 -12.75024 22.86530 
1 1 1   23    7   10 o  412.105   6.9456  466.369   15.061  425.901   23.611  494.130   19.556  396.741   11.013  427.468   8.4661 -30.72699 13.89115 
1 1 1   23    7   11 o  807.646   13.942  1767.73   60.773  1715.99   83.536  1825.90   88.578  795.163   19.442  820.128   19.987 -24.96582 27.88312 
1 1 1   23    7   12 o  647.528   11.374  1136.37   39.799  1131.98   56.285  1140.77   56.285  646.273   16.117  648.783   16.055 -2.510254 22.74894 
1 1 1   23    7   13 o  440.937   8.2468  525.148   19.628  502.928   27.014  550.000   28.569  431.080   11.597  450.794   11.728 -19.71396 16.49354 
1 1 1   23    7   14 o  138.711   6.0273   51.104   4.4549   57.523   7.0436   46.824   5.7513  145.834   8.9382  131.588   8.0883 14.24562 12.05454 
1 1 1   23    7   15 o  206.084   5.5964  114.753   6.2040  100.473   8.6090  130.180   8.9483  192.749   8.2656  219.419   7.5471 -26.66978 11.19283 
1 1 1   23    7   16 o  311.993   6.4031  262.090   10.770  244.820   14.644  282.432   15.894  300.852   9.0079  323.134   9.1024 -22.28140 12.80616 
1 1 1   23    7   17 o  520.560   9.3415  733.690   26.271  721.847   36.675  746.171   37.650  516.253   13.147  524.867   13.275 -8.613586 18.68310 
1 1 1   23    7   18 o   81.142   7.2968   17.804   3.1994   17.804   3.1994   0.0000   0.0000   81.142   7.2968  ?   ?       ?      ? 
1 1 1   23    7   28 o   74.800   29.285   9.8626   17.202   0.0000   0.0000   9.8626   17.202  ?   ?    74.800   29.285      ?      ? 
1 1 1   23    7   29 o  343.245   13.640  320.946   25.300   0.0000   0.0000  320.946   25.300  ?   ?   343.245   13.640      ?      ? 
1 1 1   23    7   30 o   39.361   17.957  -5.3743   8.4699   0.0000   0.0000  -5.3743   8.4699  ?   ?    39.361   17.957      ?      ? 
1 1 1   23    7   31 o  199.975   9.2726  108.572   10.020   0.0000   0.0000  108.572   10.020  ?   ?   199.975   9.2726      ?      ? 
1 1 1   23    7   33 o  142.401   11.588   55.265   8.9165   0.0000   0.0000   55.265   8.9165  ?   ?   142.401   11.588      ?      ? 
1 1 1   23    7   34 o  196.744   9.5798  105.284   10.185   0.0000   0.0000  105.284   10.185  ?   ?   196.744   9.5798      ?      ? 
1 1 1   23    7   35 o  100.862   15.231   28.027   8.3015   0.0000   0.0000   28.027   8.3015  ?   ?   100.862   15.231      ?      ? 
1 1 1   23    7   36 o  373.761   8.1360  381.271   16.413  403.829   23.869  361.036   22.607  384.229   11.496  363.293   11.516 20.93542 16.27191 
1 1 1   23    7   37 o  275.092   6.0942  203.937   8.1429  210.676   15.470  201.355   9.5770  277.767   10.307  272.417   6.5059 5.350586 12.18831 
1 1 1   23    7   38 o  298.507   6.8521  241.998   11.053   0.0000   0.0000  241.998   11.053  ?   ?   298.507   6.8521      ?      ? 
1 1 1   23    7   39 o  120.071   5.1985   38.398   3.3331   47.646   5.1243   31.616   4.3882  132.360   7.1646  107.782   7.5344 24.57816 10.39704 
1 1 1   23    7   40 o  209.673   6.4865  119.477   7.3493   0.0000   0.0000  119.477   7.3493  ?   ?   209.673   6.4865      ?      ? 
1 1 1   23    7   41 o  153.431   4.9068   64.095   4.0662   62.229   5.7774   65.926   5.7239  151.196   7.0714  155.666   6.8047 -4.469833 9.813678 
1 1 1   23    7   42 f   94.289   6.5667   24.413   3.3404   23.477   4.7983   25.293   4.6532   92.485   9.6012   96.092   8.9614 -3.607201 13.13348 
1 1 1   23    7   43 o   96.200   6.5532   25.444   3.4011   26.524   4.7515   24.309   4.8703   98.349   8.9407   94.050   9.5832 4.299171 13.10630 
1 1 1   23    7   44 f  154.362   5.0617   64.943   4.2183   61.878   5.8240   68.326   6.1178  150.538   7.1596  158.187   7.1571 -7.649551 10.12347 
1 1 1   23    7   45 o  144.434   5.2402   57.200   4.0783   61.180   5.7137   53.065   5.8230  149.649   7.0657  139.218   7.7404 10.43086 10.48034 
1 1 1   23    7   46 o   49.075   11.052   6.7268   3.3210   5.3963   4.5315   8.2706   4.8812   44.929   15.442   53.221   15.816 -8.292278 22.10399 
1 1 1   23    7   47 o   59.721   10.683   10.515   3.4438   9.5240   4.6586   11.709   5.1138   56.687   14.982   62.755   15.234 -6.067368 21.36634 
1 1 1   23    7   48 o   74.920   9.2527   15.810   3.5267   8.4260   4.6345   25.968   5.4356   53.313   15.292   96.528   10.421 -43.21551 18.50543 
1 1 1   23    7   49 o  113.198   6.5795   35.680   3.9818   36.821   5.3148   34.219   6.0116  115.503   8.5154  110.894   10.032 4.608994 13.15892 
1 1 1   23    7   50 o  170.812   5.4108   80.206   4.9668   79.021   6.6629   81.689   7.4514  169.550   7.2723  172.075   8.0138 -2.524231 10.82160 
1 1 1   23    7   51 o   59.399   10.425   10.934   3.8817   17.062   5.1438   2.8296   5.9160   77.431   12.294   41.366   16.840 36.06443 20.84966 
1 1 1   23    7   52 o   71.200   10.619   16.622   4.0895   23.104   5.4371   8.1759   6.2058   90.094   11.168   52.306   18.065 37.78845 21.23866 
1 1 1   23    7   53 o  110.373   7.8189   35.057   4.5943   38.669   6.2332   30.761   6.7980  117.245   9.8386  103.501   12.155 13.74435 15.63777 
1 1 1   23    7   54 o  133.275   7.0091   49.505   5.0202   45.833   6.6865   54.250   7.6004  127.780   9.6838  138.770   10.136 -10.99043 14.01815 
1 1 1   23    7   55 o  214.945   5.6126  130.534   6.4761  136.829   8.8192  123.167   9.5403  221.169   7.3794  208.722   8.4588 12.44695 11.22524 
1 1 1   23    7   56 o  129.676   7.1228   48.264   4.9567   49.949   6.7146   46.246   7.3479  132.657   9.3670  126.696   10.733 5.961128 14.24551 
1 1 1   23    7   57 o   97.068   9.6060   29.797   4.7010   35.662   6.3757   22.810   6.9591  110.422   10.685   83.715   15.967 26.70766 19.21205 
1 1 1   23    8    0 o  261.026   5.2122  184.199   7.3270  184.153   10.815  184.238   9.9618  260.989   7.6683  261.062   7.0617 -0.7250977E-01 10.42448 
1 1 1   23    8    1 o  915.255   11.202  2268.82   55.381  2294.27   79.554  2244.89   77.142  920.209   15.999  910.302   15.682 9.906799 22.40322 
1 1 1   23    8    2 o  718.174   9.0025  1394.28   34.908  1353.33   48.199  1439.44   50.626  707.111   12.614  729.237   12.847 -22.12561 18.00491 
1 1 1   23    8    3 o  189.731   5.4208   97.670   5.5260   93.685   8.1673  101.036   7.5046  186.141   8.1199  193.322   7.1839 -7.180496 10.84163 
1 1 1   23    8    4 o  578.146   7.5302  903.501   23.515  875.626   32.681  933.423   33.860  568.909   10.631  587.383   10.668 -18.47321 15.06039 
1 1 1   23    8    5 o  757.349   9.4777  1553.01   38.786  1540.79   54.712  1565.34   54.993  754.354   13.422  760.344   13.385 -5.990479 18.95531 
1 1 1   23    8    6 o  537.151   8.5484  786.690   23.792  760.360   39.403  801.797   29.847  529.885   13.761  544.417   10.146 -14.53198 17.09688 
1 1 1   23    8    7 o  528.559   8.5265  738.669   22.713  709.555   27.291  804.279   40.970  512.161   9.8612  544.958   13.913 -32.79645 17.05305 
1 1 1   23    8    8 o  692.560   10.626  1286.74   37.325  1263.35   45.322  1336.04   65.802  683.187   12.277  701.932   17.348 -18.74573 21.25271 
1 1 1   23    8    9 o  310.080   7.8109  259.967   13.088  259.967   13.088   0.0000   0.0000  310.080   7.8109  ?   ?       ?      ? 
1 1 1   23    8   10 o  764.516   13.427  1582.58   55.468   0.0000   0.0000  1582.58   55.468  ?   ?   764.516   13.427      ?      ? 
1 1 1   23    8   11 o  257.195   5.2110  179.314   7.2205  164.866   10.278  193.390   10.146  246.932   7.7031  267.458   7.0199 -20.52631 10.42192 
1 1 1   23    8   13 o  116.591   6.6267   35.928   4.1082   41.475   6.5612   32.351   5.2689  123.817   9.8065  109.365   8.9156 14.45245 13.25348 
1 1 1   23    8   15 o  662.606   8.4532  1188.52   30.261  1190.91   43.229  1186.22   42.375  663.249   12.062  661.964   11.846 1.285400 16.90632 
1 1 1   23    8   18 o  603.838   10.821  987.219   35.309   0.0000   0.0000  987.219   35.309  ?   ?   603.838   10.821      ?      ? 
1 1 1   23    8   22 o  338.927   8.4537  310.927   15.483   0.0000   0.0000  310.927   15.483  ?   ?   338.927   8.4537      ?      ? 
1 1 1   23    8   23 o  337.905   8.5708  309.100   15.650   0.0000   0.0000  309.100   15.650  ?   ?   337.905   8.5708      ?      ? 
1 1 1   23    8   24 o  411.339   9.0899  458.218   20.205   0.0000   0.0000  458.218   20.205  ?   ?   411.339   9.0899      ?      ? 
1 1 1   23    8   26 o  480.972   9.8110  627.148   25.499   0.0000   0.0000  627.148   25.499  ?   ?   480.972   9.8110      ?      ? 
1 1 1   23    8   28 f  273.096   8.6947  202.171   12.831   0.0000   0.0000  202.171   12.831  ?   ?   273.096   8.6947      ?      ? 
1 1 1   23    8   29 o   48.956   19.785   2.9563   8.0990   0.0000   0.0000   2.9563   8.0990  ?   ?    48.956   19.785      ?      ? 
1 1 1   23    8   31 o  222.818   9.3774  134.881   11.291   0.0000   0.0000  134.881   11.291  ?   ?   222.818   9.3774      ?      ? 
1 1 1   23    8   33 o   91.518   18.103   23.911   8.6354   0.0000   0.0000   23.911   8.6354  ?   ?    91.518   18.103      ?      ? 
1 1 1   23    8   35 o   94.631   17.174   25.557   8.4586   0.0000   0.0000   25.557   8.4586  ?   ?    94.631   17.174      ?      ? 
1 1 1   23    8   36 o  135.098   9.8381   51.910   6.9357   61.779   9.3514   39.842   10.340  150.243   11.518  119.952   15.952 30.29086 19.67625 
1 1 1   23    8   37 o  201.308   6.1322  110.577   5.7267  109.932   11.568  110.787   6.5909  200.509   10.677  202.107   6.0350 -1.597687 12.26443 
1 1 1   23    8   38 o   78.178   6.9103   15.314   2.6859   25.512   4.5960   10.026   3.3099   96.716   8.7942   59.639   10.662 37.07709 13.82067 
1 1 1   23    8   39 f   33.820   9.4546   0.5136   2.5836   4.4228   4.4194  -1.5161   3.1845   42.655   15.204   24.984   11.242 17.67152 18.90915 
1 1 1   23    8   40 o   65.662   8.7890   11.631   3.0133   15.490   4.8062   9.1321   3.8679   74.955   11.866   56.369   12.968 18.58544 17.57790 
1 1 1   23    8   41 o  155.199   4.9627   65.563   4.1477   66.003   6.1336   65.192   5.6300  155.630   7.2936  154.769   6.7319 0.8603516 9.925424 
1 1 1   23    8   42 o  161.428   5.0395   71.326   4.3777   64.818   6.2515   77.588   6.1323  154.094   7.5077  168.762   6.7245 -14.66873 10.07893 
1 1 1   23    8   43 o   95.506   6.9298   25.391   3.5337   21.993   5.1502   28.414   4.8575   89.234   10.681  101.779   8.8322 -12.54501 13.85956 
1 1 1   23    8   44 o   69.297   9.4481   13.658   3.4371   20.817   5.1281   7.8202   4.6313   86.642   10.953   51.952   15.398 34.68925 18.89618 
1 1 1   23    8   45 o  118.353   6.0719   38.411   3.8671   43.442   5.5982   33.819   5.3482  125.832   8.2333  110.874   8.9267 14.95750 12.14386 
1 1 1   23    8   46 o  156.946   5.2919   67.496   4.4878   67.350   6.3119   67.646   6.3820  156.783   7.4503  157.109   7.5174 -0.3250275 10.58385 
1 1 1   23    8   47 o   71.556   9.7542   15.092   3.6568   8.6888   5.0636   22.071   5.2866   54.208   16.108   88.904   11.004 -34.69547 19.50837 
1 1 1   23    8   48 o   78.404   8.9180   17.386   3.7759   17.084   5.2310   17.715   5.4559   77.738   12.453   79.069   12.769 -1.331802 17.83609 
1 1 1   23    8   49 o   40.128   11.243   2.6321   3.6664   0.8146   4.9303   4.8808   5.4840   35.361   14.960   44.895   16.787 -9.534134 22.48590 
1 1 1   23    8   50 o   98.440   8.0209   26.975   4.1502   19.367   5.5499   36.628   6.2511   82.466   12.454  114.414   10.111 -31.94764 16.04180 
1 1 1   23    8   51 o  100.299   8.1258   28.805   4.3482   31.123   5.8783   26.006   6.4616  105.249   10.336   95.349   12.541 9.899826 16.25157 
1 1 1   23    8   52 o  110.216   7.7473   34.769   4.5850   37.033   6.2978   32.217   6.6883  114.436   10.184  105.995   11.677 8.441284 15.49453 
1 1 1   23    8   53 o  108.062   8.1244   33.222   4.7335   32.711   6.4631   33.814   6.9519  107.330   11.144  108.793   11.825 -1.462852 16.24879 
1 1 1   23    8   54 o  109.123   8.1450   34.350   4.7775   36.205   6.5641   32.259   6.9666  112.673   10.781  105.573   12.212 7.100311 16.28992 
1 1 1   23    8   55 o   78.871   11.163   19.857   4.5658   18.721   6.0871   21.317   6.9038   76.680   15.228   81.062   16.326 -4.382149 22.32509 
1 1 1   23    8   56 o   42.714   12.241   3.9839   4.3687   2.8756   5.7839   5.4561   6.6662   39.698   16.456   45.730   18.128 -6.032204 24.48301 
1 1 1   23    9    0 o  462.737   6.4986  579.279   16.244  571.161   23.163  587.136   22.787  459.539   9.3281  465.936   9.0506 -6.396973 12.99721 
1 1 1   23    9    1 o  294.533   5.4154  234.466   8.5870  235.515   12.715  233.587   11.643  295.130   7.9731  293.937   7.3304 1.193054 10.83075 
1 1 1   23    9    2 o  488.583   6.7186  645.737   17.736  638.860   25.173  652.517   24.994  485.994   9.5855  491.171   9.4169 -5.176666 13.43722 
1 1 1   23    9    3 o  725.061   9.0979  1423.26   35.644  1422.57   50.650  1423.94   50.169  724.880   12.931  725.242   12.802 -0.3615723 18.19577 
1 1 1   23    9    5 o  557.803   7.3643  840.802   22.184  813.393   30.738  870.599   32.049  548.329   10.374  567.277   10.455 -18.94861 14.72858 
1 1 1   23    9    6 o  413.717   7.1836  461.645   15.234  467.342   26.134  458.712   18.750  415.565   11.638  411.868   8.4245 3.697296 14.36724 
1 1 1   23    9    7 o  200.645   9.8448  108.896   10.674  108.896   10.674   0.0000   0.0000  200.645   9.8448  ?   ?       ?      ? 
1 1 1   23    9    8 o  421.258   7.2761  475.247   15.898  463.378   19.753  497.072   26.786  413.937   8.8311  428.578   11.566 -14.64111 14.55220 
1 1 1   23    9    9 f  782.047   11.847  1651.06   47.243  1636.70   57.801  1679.95   81.998  777.393   13.760  786.700   19.289 -9.306580 23.69362 
1 1 1   23    9   13 o  157.293   8.9504   66.919   7.6075   66.919   7.6075   0.0000   0.0000  157.293   8.9504  ?   ?       ?      ? 
1 1 1   23    9   15 o  180.126   7.0957   87.731   6.9065   0.0000   0.0000   87.731   6.9065  ?   ?   180.126   7.0957      ?      ? 
1 1 1   23    9   16 o  565.443   7.4765  861.766   22.784  815.417   30.881  917.140   33.754  548.846   10.412  582.039   10.732 -33.19391 14.95298 
1 1 1   23    9   17 o  174.533   5.0644   82.417   4.7692   81.660   6.9196   83.102   6.5824  173.765   7.3694  175.302   6.9488 -1.537216 10.12887 
1 1 1   23    9   18 o  225.311   5.8613  137.245   7.1361   0.0000   0.0000  137.245   7.1361  ?   ?   225.311   5.8613      ?      ? 
1 1 1   23    9   19 o  780.360   13.609  1651.36   57.384   0.0000   0.0000  1651.36   57.384  ?   ?   780.360   13.609      ?      ? 
1 1 1   23    9   20 o  254.951   6.1045  175.771   8.4100   0.0000   0.0000  175.771   8.4100  ?   ?   254.951   6.1045      ?      ? 
1 1 1   23    9   21 o  494.566   10.012  662.568   26.757   0.0000   0.0000  662.568   26.757  ?   ?   494.566   10.012      ?      ? 
1 1 1   23    9   22 o  344.237   8.6667  320.812   16.121   0.0000   0.0000  320.812   16.121  ?   ?   344.237   8.6667      ?      ? 
1 1 1   23    9   26 o  146.194   11.653   58.059   9.2056   0.0000   0.0000   58.059   9.2056  ?   ?   146.194   11.653      ?      ? 
1 1 1   23    9   29 o  334.740   8.7932  304.003   15.905   0.0000   0.0000  304.003   15.905  ?   ?   334.740   8.7932      ?      ? 
1 1 1   23    9   31 o   77.849   20.238   17.421   8.5926   0.0000   0.0000   17.421   8.5926  ?   ?    77.849   20.238      ?      ? 
1 1 1   23    9   32 o   49.958   20.151   3.2991   8.3843   0.0000   0.0000   3.2991   8.3843  ?   ?    49.958   20.151      ?      ? 
1 1 1   23    9   34 f   78.714   20.178   17.998   8.6224   0.0000   0.0000   17.998   8.6224  ?   ?    78.714   20.178      ?      ? 
1 1 1   23    9   35 f   59.756   21.092   9.0054   8.4852   0.0000   0.0000   9.0054   8.4852  ?   ?    59.756   21.092      ?      ? 
1 1 1   23    9   36 o  254.789   7.5900  177.711   10.434  183.131   14.514  171.914   15.011  258.914   10.374  250.665   11.082 8.248306 15.17993 
1 1 1   23    9   37 o  198.036   6.1669  107.968   5.7041  104.752   11.334  109.059   6.6010  195.596   10.723  200.477   6.0934 -4.880600 12.33374 
1 1 1   23    9   38 o  331.022   7.1830  298.089   12.848   0.0000   0.0000  298.089   12.848  ?   ?   331.022   7.1830      ?      ? 
1 1 1   23    9   39 o  320.711   7.1693  279.929   12.424   0.0000   0.0000  279.929   12.424  ?   ?   320.711   7.1693      ?      ? 
1 1 1   23    9   40 o  222.619   6.5569  134.793   7.8877   0.0000   0.0000  134.793   7.8877  ?   ?   222.619   6.5569      ?      ? 
1 1 1   23    9   41 f   44.696   10.250   5.2303   3.2284  -0.4191   5.2759   8.6117   4.0818   34.888   15.128   54.505   13.835 -19.61666 20.50051 
1 1 1   23    9   42 o  112.000   6.3813   34.427   3.8306   34.313   5.7910   34.515   5.1076  111.726   9.5920  112.274   8.4187 -0.5481491 12.76251 
1 1 1   23    9   43 o  186.891   6.8660   95.315   6.9340   0.0000   0.0000   95.315   6.9340  ?   ?   186.891   6.8660      ?      ? 
1 1 1   23    9   44 o  264.031   6.9930  190.414   9.9771   0.0000   0.0000  190.414   9.9771  ?   ?   264.031   6.9930      ?      ? 
1 1 1   23    9   45 f   43.608   11.309   4.6063   3.5069   3.6044   5.2350   5.4220   4.7234   41.951   16.229   45.266   15.753 -3.315937 22.61784 
1 1 1   23    9   46 o   61.697   11.028   11.424   3.6880   10.170   5.4162   12.509   5.0358   58.368   16.460   65.026   14.679 -6.658325 22.05523 
1 1 1   23    9   47 o  131.048   6.1149   47.406   4.3287   49.127   6.1651   45.734   6.0794  133.424   8.5510  128.672   8.7435 4.751373 12.22981 
1 1 1   23    9   48 o   57.943   11.580   10.092   3.7860   10.167   5.3124   10.014   5.3971   58.159   16.267   57.728   16.484 0.4311485 23.15933 
1 1 1   23    9   49 o  211.910   5.1454  123.484   5.8907  125.791   8.3061  121.149   8.3555  213.947   7.1846  209.872   7.3677 4.075943 10.29078 
1 1 1   23    9   50 o  162.616   5.8112   73.178   5.1034   75.960   7.2145   70.392   7.2202  165.786   8.0532  159.447   8.3800 6.339294 11.62231 
1 1 1   23    9   51 o   45.761   12.128   4.9507   4.2378   1.6426   5.9672   8.3171   6.0196   39.006   16.478   52.515   17.801 -13.50868 24.25680 
1 1 1   23    9   52 o  152.967   6.4267   65.459   5.3041   65.799   7.3171   65.082   7.6999  153.538   8.8194  152.396   9.3502 1.142059 12.85331 
1 1 1   23    9   53 o   52.208   11.191   5.8927   4.4745   16.181   6.3463  -4.2768   6.3095   72.166   16.618   32.249   14.992 39.91650 22.38110 
1 1 1   23    9   54 o   29.985   10.052  -5.3783   4.3655  -5.9163   6.0958  -4.8119   6.2548   29.244   13.938   30.727   14.489 -1.482611 20.10451 
1 1 1   23    9   55 o   32.188   10.544  -3.8139   4.3650  -6.1819   5.9244  -1.0018   6.4559   28.678   13.688   35.699   16.041 -7.020798 21.08734 
1 1 1   23    9   56 o   43.900   12.164   4.6186   4.5359   8.7279   6.1576  -0.2566   6.7069   51.254   17.978   36.546   16.390 14.70843 24.32829 
1 1 1   23   10    0 o  625.537   8.1125  1058.39   27.415  1033.41   38.298  1084.65   39.263  617.971   11.469  633.104   11.477 -15.13336 16.22491 
1 1 1   23   10    1 o  643.141   8.2855  1118.99   28.790  1095.55   40.280  1143.47   41.164  636.257   11.716  650.026   11.719 -13.76837 16.57095 
1 1 1   23   10    2 f  550.794   7.3674  820.762   21.926  808.960   31.007  832.566   31.009  546.828   10.494  554.760   10.344 -7.931335 14.73489 
1 1 1   23   10    3 o  540.714   7.2714  790.987   21.243  787.478   30.265  794.395   29.823  539.525   10.381  541.902   10.185 -2.377075 14.54276 
1 1 1   23   10    4 o  205.891   5.8866  115.365   6.4916   98.121   9.2063  132.418   9.1550  190.478   8.9444  221.305   7.6556 -30.82709 11.77328 
1 1 1   23   10    5 o  444.803   8.9456  535.080   21.501   0.0000   0.0000  535.080   21.501  ?   ?   444.803   8.9456      ?      ? 
1 1 1   23   10    6 o  879.108   10.838  2094.03   51.481  2071.65   72.336  2117.00   73.284  874.352   15.310  883.864   15.344 -9.511597 21.67571 
1 1 1   23   10    7 o  319.103   6.5359  267.832   10.691  299.099   18.738  252.740   13.018  332.482   10.430  305.725   7.8802 26.75739 13.07187 
1 1 1   23   10    8 o  670.107   8.6164  1215.60   31.199  1198.96   43.940  1232.52   44.306  665.479   12.219  674.735   12.152 -9.256592 17.23273 
1 1 1   23   10    9 o  356.485   6.7327  342.475   12.664  337.842   16.192  349.775   20.324  353.438   8.4783  359.533   10.461 -6.094818 13.46540 
1 1 1   23   10   10 o  676.847   12.261  1240.32   44.843   0.0000   0.0000  1240.32   44.843  ?   ?   676.847   12.261      ?      ? 
1 1 1   23   10   11 o  175.554   6.1410   84.077   5.7717   72.639   8.2964   94.805   8.0347  163.868   9.3693  187.240   7.9412 -23.37209 12.28195 
1 1 1   23   10   12 o  246.405   5.4806  164.305   7.2798  162.351   10.638  166.026   9.9834  245.018   8.0348  247.792   7.4560 -2.773651 10.96126 
1 1 1   23   10   14 o  236.641   7.2451  151.437   9.2645   0.0000   0.0000  151.437   9.2645  ?   ?   236.641   7.2451      ?      ? 
1 1 1   23   10   15 o  195.050   5.3520  103.223   5.6140   91.638   7.9397  114.806   7.9392  184.060   7.9828  206.041   7.1308 -21.98158 10.70390 
1 1 1   23   10   16 o  433.945   8.8649  509.500   20.787   0.0000   0.0000  509.500   20.787  ?   ?   433.945   8.8649      ?      ? 
1 1 1   23   10   17 o  598.991   8.7493  977.565   25.212  960.360   48.076  984.092   29.610  594.937   14.954  603.045   9.0867 -8.107910 17.49860 
1 1 1   23   10   18 o  412.823   6.0218  460.813   13.433   0.0000   0.0000  460.813   13.433  ?   ?   412.823   6.0218      ?      ? 
1 1 1   23   10   19 o  237.956   6.4985  153.146   8.3560   0.0000   0.0000  153.146   8.3560  ?   ?   237.956   6.4985      ?      ? 
1 1 1   23   10   20 o  223.882   6.3368  135.567   7.6662   0.0000   0.0000  135.567   7.6662  ?   ?   223.882   6.3368      ?      ? 
1 1 1   23   10   21 o  287.440   4.9915  223.383   7.7530   0.0000   0.0000  223.383   7.7530  ?   ?   287.440   4.9915      ?      ? 
1 1 1   23   10   22 o  428.176   8.3640  496.349   19.352   0.0000   0.0000  496.349   19.352  ?   ?   428.176   8.3640      ?      ? 
1 1 1   23   10   24 o  166.078   10.935   74.846   9.8137   0.0000   0.0000   74.846   9.8137  ?   ?   166.078   10.935      ?      ? 
1 1 1   23   10   25 o  338.998   8.7486  311.459   16.026   0.0000   0.0000  311.459   16.026  ?   ?   338.998   8.7486      ?      ? 
1 1 1   23   10   26 o  380.174   9.0516  391.908   18.595   0.0000   0.0000  391.908   18.595  ?   ?   380.174   9.0516      ?      ? 
1 1 1   23   10   28 o  286.564   8.9123  222.828   13.801   0.0000   0.0000  222.828   13.801  ?   ?   286.564   8.9123      ?      ? 
1 1 1   23   10   29 o  170.198   10.714   78.824   9.8538   0.0000   0.0000   78.824   9.8538  ?   ?   170.198   10.714      ?      ? 
1 1 1   23   10   31 o  172.405   11.069   80.978   10.312   0.0000   0.0000   80.978   10.312  ?   ?   172.405   11.069      ?      ? 
1 1 1   23   10   33 f  117.124   14.514   37.759   9.1862   0.0000   0.0000   37.759   9.1862  ?   ?   117.124   14.514      ?      ? 
1 1 1   23   10   34 o  130.095   13.768   46.558   9.6790   0.0000   0.0000   46.558   9.6790  ?   ?   130.095   13.768      ?      ? 
1 1 1   23   10   36 o  306.154   6.4354  249.937   9.5279  268.468   18.395  243.142   11.138  313.128   10.872  299.181   6.8898 13.94714 12.87089 
1 1 1   23   10   37 o  289.113   5.9800  228.361   7.4442  227.252   16.676  228.637   8.3191  287.860   10.721  290.366   5.3020 -2.506165 11.96002 
1 1 1   23   10   38 o  113.252   5.9908   35.721   3.5172   32.248   5.6973   37.860   4.4709  108.534   9.7145  117.970   7.0135 -9.436020 11.98165 
1 1 1   23   10   39 o  162.897   5.2600   73.657   4.5282   64.139   6.8840   80.917   6.0120  153.277   8.3114  172.516   6.4491 -19.23972 10.52002 
1 1 1   23   10   40 o  110.458   6.6250   34.613   3.7429   29.476   6.1223   37.680   4.7297  103.383   10.959  117.533   7.4471 -14.14926 13.24992 
1 1 1   23   10   41 o  140.454   7.3057   53.831   5.5448   0.0000   0.0000   53.831   5.5448  ?   ?   140.454   7.3057      ?      ? 
1 1 1   23   10   42 o  164.700   7.0262   74.031   6.2532   0.0000   0.0000   74.031   6.2532  ?   ?   164.700   7.0262      ?      ? 
1 1 1   23   10   43 f   40.065   10.894   2.0313   3.4438   6.4460   5.4798  -0.8504   4.4273   49.050   16.974   31.080   13.659 17.97013 21.78739 
1 1 1   23   10   44 o   91.170   7.7752   23.143   3.7784   22.790   5.8133   23.401   4.9716   90.349   11.907   91.991   10.002 -1.642067 15.55048 
1 1 1   23   10   45 o  203.150   6.9849  112.923   7.6676   0.0000   0.0000  112.923   7.6676  ?   ?   203.150   6.9849      ?      ? 
1 1 1   23   10   46 o   46.582   11.627   5.7532   3.7069   3.9611   5.5972   7.1534   4.9475   43.268   16.770   49.897   16.111 -6.628788 23.25496 
1 1 1   23   10   47 o  119.094   6.7714   39.583   4.3321   36.383   6.2924   42.468   5.9731  114.282   10.189  123.906   8.9211 -9.623459 13.54290 
1 1 1   23   10   48 o   92.991   8.5191   24.918   4.1798   20.038   6.1254   29.171   5.7179   83.765   13.533  102.216   10.352 -18.45101 17.03822 
1 1 1   23   10   49 o   54.587   11.807   8.7882   4.1148   4.0451   5.9790   13.056   5.6715   43.791   17.228   65.384   16.148 -21.59308 23.61306 
1 1 1   23   10   50 o   59.225   12.400   10.934   4.2945   9.1455   6.2335   12.550   5.9250   54.916   18.106   63.535   16.946 -8.618427 24.79915 
1 1 1   23   10   51 o  187.937   5.7243   98.094   5.8072   92.079   8.0723  104.547   8.3607  181.894   8.2128  193.979   7.9762 -12.08525 11.44858 
1 1 1   23   10   52 o   74.945   10.699   17.630   4.6978   3.9511   6.5914   31.751   6.6972   44.415   17.884  105.475   11.751 -61.06038 21.39874 
1 1 1   23   10   53 o   68.698   12.349   15.214   4.6380   12.523   6.4983   18.008   6.6217   62.011   18.201   75.386   16.695 -13.37548 24.69865 
1 1 1   23   10   54 o   54.737   13.167   10.013   4.6626   9.3936   6.5653   10.643   6.6228   53.336   18.572   56.137   18.670 -2.800716 26.33436 
1 1 1   23   10   55 o   49.943   13.090   7.7187   4.6953   7.7595   6.6419   7.6779   6.6385   50.027   18.520   49.860   18.504 0.1670532 26.18046 
1 1 1   23   11    0 o  457.496   9.7516  566.437   24.064  573.874   35.199  559.910   32.974  460.284   14.152  454.708   13.420 5.576233 19.50323 
1 1 1   23   11    1 o  392.453   8.5839  416.530   18.204   0.0000   0.0000  416.530   18.204  ?   ?   392.453   8.5839      ?      ? 
1 1 1   23   11    2 o  231.949   8.7496  145.506   10.966  145.506   10.966   0.0000   0.0000  231.949   8.7496  ?   ?       ?      ? 
1 1 1   23   11    3 o  275.745   7.8945  205.606   11.763   0.0000   0.0000  205.606   11.763  ?   ?   275.745   7.8945      ?      ? 
1 1 1   23   11    5 o  664.265   8.5836  1194.01   30.803  1166.66   42.997  1222.85   44.150  656.455   12.121  672.074   12.157 -15.61914 17.16717 
1 1 1   23   11    6 o  533.555   7.2820  769.684   20.987  745.479   29.215  795.492   30.167  524.894   10.300  542.215   10.296 -17.32147 14.56396 
1 1 1   23   11    7 o  375.786   6.1171  382.151   12.413  374.050   17.758  389.891   17.359  371.881   8.8372  379.690   8.4606 -7.809753 12.23423 
1 1 1   23   11    8 o  320.218   6.5304  281.789   11.080  250.450   16.851  305.654   14.705  304.242   10.250  336.195   8.0946 -31.95288 13.06073 
1 1 1   23   11   10 o  143.166   7.6052   55.946   5.8036   66.709   8.2242   45.270   8.1910  157.022   9.6927  129.311   11.722 27.71120 15.21049 
1 1 1   23   11   11 o  469.237   6.7656  595.562   17.145  602.008   24.732  589.597   23.788  471.670   9.7035  466.803   9.4306 4.867493 13.53123 
1 1 1   23   11   12 o  758.302   13.502  1558.59   55.327   0.0000   0.0000  1558.59   55.327  ?   ?   758.302   13.502      ?      ? 
1 1 1   23   11   13 o  134.514   6.8037   49.176   4.9142   46.864   7.2704   51.120   6.6680  131.577   10.226  137.451   8.9776 -5.874207 13.60733 
1 1 1   23   11   14 o  206.037   5.5744  114.998   6.1959  110.886   8.9202  118.832   8.6125  202.465   8.1534  209.609   7.6038 -7.144836 11.14878 
1 1 1   23   11   15 o  195.968   5.5160  103.871   5.8125   90.606   8.0858  118.055   8.3615  183.011   8.1763  208.924   7.4064 -25.91382 11.03207 
1 1 1   23   11   17 o  402.697   6.5335  434.730   12.779  448.874   24.295  429.320   15.026  407.004   11.047  398.389   6.9799 8.614075 13.06701 
1 1 1   23   11   18 o  447.240   9.3335  541.652   22.557   0.0000   0.0000  541.652   22.557  ?   ?   447.240   9.3335      ?      ? 
1 1 1   23   11   19 o  258.586   5.3233  180.801   7.4383   0.0000   0.0000  180.801   7.4383  ?   ?   258.586   5.3233      ?      ? 
1 1 1   23   11   20 f  533.282   7.1473  769.481   20.596   0.0000   0.0000  769.481   20.596  ?   ?   533.282   7.1473      ?      ? 
1 1 1   23   11   21 o  299.920   6.9878  243.394   11.325   0.0000   0.0000  243.394   11.325  ?   ?   299.920   6.9878      ?      ? 
1 1 1   23   11   22 o  144.777   5.4181   56.687   4.2387   0.0000   0.0000   56.687   4.2387  ?   ?   144.777   5.4181      ?      ? 
1 1 1   23   11   23 o  278.523   5.6392  209.848   8.4872   0.0000   0.0000  209.848   8.4872  ?   ?   278.523   5.6392      ?      ? 
1 1 1   23   11   24 o  305.445   5.4370  252.382   8.9738   0.0000   0.0000  252.382   8.9738  ?   ?   305.445   5.4370      ?      ? 
1 1 1   23   11   25 f  259.818   4.8519  182.581   6.8119   0.0000   0.0000  182.581   6.8119  ?   ?   259.818   4.8519      ?      ? 
1 1 1   23   11   26 o  215.355   4.5374  125.431   5.2801   0.0000   0.0000  125.431   5.2801  ?   ?   215.355   4.5374      ?      ? 
1 1 1   23   11   27 o  200.821   5.6850  109.159   6.1692   0.0000   0.0000  109.159   6.1692  ?   ?   200.821   5.6850      ?      ? 
1 1 1   23   11   28 o  154.704   11.409   65.194   9.5377   0.0000   0.0000   65.194   9.5377  ?   ?   154.704   11.409      ?      ? 
1 1 1   23   11   29 o   48.981   20.143   2.3336   8.5730   0.0000   0.0000   2.3336   8.5730  ?   ?    48.981   20.143      ?      ? 
1 1 1   23   11   30 f  173.918   10.849   82.385   10.195   0.0000   0.0000   82.385   10.195  ?   ?   173.918   10.849      ?      ? 
1 1 1   23   11   33 o  184.501   5.6593   92.254   5.6422   0.0000   0.0000   92.254   5.6422  ?   ?   184.501   5.6593      ?      ? 
1 1 1   23   11   34 o  154.035   4.4684   64.236   3.7193   0.0000   0.0000   64.236   3.7193  ?   ?   154.035   4.4684      ?      ? 
1 1 1   23   11   35 o   62.970   6.7710   10.769   2.3040   0.0000   0.0000   10.769   2.3040  ?   ?    62.970   6.7710      ?      ? 
1 1 1   23   11   36 o  172.246   6.1146   80.549   5.6912   0.0000   0.0000   80.549   5.6912  ?   ?   172.246   6.1146      ?      ? 
1 1 1   23   11   37 o  312.432   6.1669  260.351   8.2414  276.802   18.925  256.501   9.1551  317.396   11.034  307.467   5.5103 9.929382 12.33379 
1 1 1   23   11   38 o  116.080   7.9472   33.470   3.9983   43.468   9.4215   31.274   4.4157  125.037   13.944  107.123   7.6283 17.91433 15.89443 
1 1 1   23   11   39 o  158.564   6.6043   68.432   5.6588   0.0000   0.0000   68.432   5.6588  ?   ?   158.564   6.6043      ?      ? 
1 1 1   23   11   40 o  179.532   6.6266   87.795   6.4286   0.0000   0.0000   87.795   6.4286  ?   ?   179.532   6.6266      ?      ? 
1 1 1   23   11   41 o  149.800   5.4832   61.241   4.3401   61.918   6.9168   60.801   5.5738  150.299   8.5166  149.302   6.9088 0.9967804 10.96644 
1 1 1   23   11   42 o   38.100   10.656   2.4304   3.3277  -1.3617   5.8530   4.2415   4.0450   35.163   15.568   41.037   14.555 -5.874241 21.31212 
1 1 1   23   11   43 o   48.894   10.785   7.0705   3.3917   2.0697   5.9090   9.5276   4.1419   40.697   16.728   57.090   13.617 -16.39302 21.56970 
1 1 1   23   11   44 o   50.672   11.513   7.3661   3.5277   6.7130   5.7826   7.7532   4.4521   49.852   17.426   51.491   15.052 -1.639290 23.02652 
1 1 1   23   11   45 o   41.548   11.208   3.6762   3.6086   0.6566   5.8232   5.5587   4.5980   37.830   16.140   45.265   15.555 -7.435566 22.41561 
1 1 1   23   11   46 o   35.242   10.711   0.1468   3.6201   1.2479   5.6700  -0.6110   4.7036   38.270   16.109   32.214   14.120 6.055622 21.42125 
1 1 1   23   11   47 o   63.749   11.259   12.736   3.9605   8.5304   6.1200   15.766   5.1950   54.126   17.945   73.371   13.604 -19.24503 22.51855 
1 1 1   23   11   48 o  177.669   5.5840   87.428   5.3396   79.799   7.6287   94.755   7.4763  169.842   8.3122  185.496   7.4587 -15.65460 11.16808 
1 1 1   23   11   49 o  105.617   10.596   31.372   6.0476   0.0000   0.0000   31.372   6.0476  ?   ?   105.617   10.596      ?      ? 
1 1 1   23   11   50 o   82.773   13.677   20.063   6.1174   0.0000   0.0000   20.063   6.1174  ?   ?    82.773   13.677      ?      ? 
1 1 1   23   11   51 f   34.237   10.960  -3.5796   4.5322   1.2338   6.5054  -8.1195   6.3178   39.750   17.012   28.724   13.822 11.02567 21.91948 
1 1 1   23   11   52 o   47.589   11.022   0.5511   4.7187   15.332   6.7819 -13.3191   6.5696   69.324   17.959   25.854   12.784 43.46993 22.04442 
1 1 1   23   11   53 o   60.493   13.075   12.615   4.6714   13.013   6.6587   12.230   6.5553   61.383   18.525   59.603   18.457 1.779606 26.15014 
1 1 1   23   11   54 o   71.538   12.162   16.767   4.7074   13.021   6.6219   20.594   6.6933   62.411   18.389   80.664   15.921 -18.25331 24.32382 
1 1 1   23   11   55 o   65.904   11.978   14.930   4.7937   6.6300   6.8054   23.104   6.7537   47.076   18.423   84.732   15.314 -37.65569 23.95674 
1 1 1   23   12    0 o  366.512   9.5118  364.165   18.769  359.910   27.668  367.793   25.546  364.485   14.048  368.538   12.828 -4.052704 19.02351 
1 1 1   23   12    1 o  396.409   9.6876  425.787   20.699  386.937   28.985  466.216   29.568  377.914   14.194  414.904   13.188 -36.99057 19.37513 
1 1 1   23   12    2 o  354.667   8.4526  340.192   16.199   0.0000   0.0000  340.192   16.199  ?   ?   354.667   8.4526      ?      ? 
1 1 1   23   12    3 o  766.050   9.6803  1587.73   40.044  1539.78   55.396  1640.20   57.953  753.965   13.597  778.136   13.783 -24.17102 19.36064 
1 1 1   23   12    4 o  860.005   10.700  2004.21   49.718  1976.02   69.698  2033.42   70.942  853.854   15.106  866.157   15.157 -12.30304 21.39924 
1 1 1   23   12    5 o  213.191   6.2866  123.282   7.2217  114.965   10.350  131.173   10.082  206.153   9.2908  220.228   8.4716 -14.07513 12.57323 
1 1 1   23   12    6 o  474.091   6.8105  608.082   17.445  595.086   24.598  621.234   24.745  468.989   9.7062  479.192   9.5561 -10.20294 13.62093 
1 1 1   23   12    7 o  180.534   6.7200   88.238   6.5506   86.417   9.3885   89.966   9.1443  178.712   9.7220  182.357   9.2798 -3.645035 13.43998 
1 1 1   23   12    8 f  144.170   7.8622   55.967   6.0398   58.063   9.4322   54.511   7.8635  146.423   11.921  141.917   10.254 4.506439 15.72439 
1 1 1   23   12    9 o  428.189   11.991  496.622   27.745  496.622   27.745   0.0000   0.0000  428.189   11.991  ?   ?       ?      ? 
1 1 1   23   12   10 o  237.975   6.4008  154.689   8.1532  170.551   11.206  136.847   11.885  251.090   8.2589  224.860   9.7812 26.23010 12.80166 
1 1 1   23   12   11 o  280.462   9.9783  212.905   15.122   0.0000   0.0000  212.905   15.122  ?   ?   280.462   9.9783      ?      ? 
1 1 1   23   12   12 o  163.282   9.4842   72.152   8.3681   72.152   8.3681   0.0000   0.0000  163.282   9.4842  ?   ?       ?      ? 
1 1 1   23   12   13 o  286.316   7.9672  221.761   12.327   0.0000   0.0000  221.761   12.327  ?   ?   286.316   7.9672      ?      ? 
1 1 1   23   12   14 o  134.111   7.0562   48.257   4.9953   64.255   7.4660   35.290   6.7212  154.081   8.9671  114.141   10.897 39.93971 14.11244 
1 1 1   23   12   15 o  342.441   8.2230  317.353   15.216   0.0000   0.0000  317.353   15.216  ?   ?   342.441   8.2230      ?      ? 
1 1 1   23   12   17 o  476.019   7.7542  608.589   18.827  631.081   32.809  597.547   22.989  482.273   12.590  469.764   9.0561 12.50858 15.50848 
1 1 1   23   12   18 o  220.014   5.5385  130.898   6.5847   0.0000   0.0000  130.898   6.5847  ?   ?   220.014   5.5385      ?      ? 
1 1 1   23   12   19 f  171.005   5.8651   79.089   5.4197   0.0000   0.0000   79.089   5.4197  ?   ?   171.005   5.8651      ?      ? 
1 1 1   23   12   20 o  239.465   8.4893  155.295   10.985   0.0000   0.0000  155.295   10.985  ?   ?   239.465   8.4893      ?      ? 
1 1 1   23   12   21 o  234.756   5.2679  149.049   6.6825   0.0000   0.0000  149.049   6.6825  ?   ?   234.756   5.2679      ?      ? 
1 1 1   23   12   22 o  271.851   8.0182  200.189   11.779   0.0000   0.0000  200.189   11.779  ?   ?   271.851   8.0182      ?      ? 
1 1 1   23   12   23 o  174.863   5.2688   82.713   4.9785   0.0000   0.0000   82.713   4.9785  ?   ?   174.863   5.2688      ?      ? 
1 1 1   23   12   24 o   98.482   6.8916   26.263   3.6674   0.0000   0.0000   26.263   3.6674  ?   ?    98.482   6.8916      ?      ? 
1 1 1   23   12   25 o  120.460   5.7083   39.271   3.7157   0.0000   0.0000   39.271   3.7157  ?   ?   120.460   5.7083      ?      ? 
1 1 1   23   12   26 o  244.495   5.1063  161.757   6.7462   0.0000   0.0000  161.757   6.7462  ?   ?   244.495   5.1063      ?      ? 
1 1 1   23   12   27 o  301.357   5.1584  245.788   8.4001   0.0000   0.0000  245.788   8.4001  ?   ?   301.357   5.1584      ?      ? 
1 1 1   23   12   28 o  478.570   7.3135  620.937   18.913   0.0000   0.0000  620.937   18.913  ?   ?   478.570   7.3135      ?      ? 
1 1 1   23   12   29 f  199.847   4.6142  108.071   4.9829   0.0000   0.0000  108.071   4.9829  ?   ?   199.847   4.6142      ?      ? 
1 1 1   23   12   30 o   69.899   6.8552   13.251   2.5893   0.0000   0.0000   13.251   2.5893  ?   ?    69.899   6.8552      ?      ? 
1 1 1   23   12   31 o  297.915   5.4031  240.431   8.6980   0.0000   0.0000  240.431   8.6980  ?   ?   297.915   5.4031      ?      ? 
1 1 1   23   12   32 o  163.795   4.6373   72.637   4.1044   0.0000   0.0000   72.637   4.1044  ?   ?   163.795   4.6373      ?      ? 
1 1 1   23   12   33 o  130.978   4.8121   46.461   3.4058   0.0000   0.0000   46.461   3.4058  ?   ?   130.978   4.8121      ?      ? 
1 1 1   23   12   34 o  312.804   5.5692  265.297   9.4136   0.0000   0.0000  265.297   9.4136  ?   ?   312.804   5.5692      ?      ? 
1 1 1   23   12   35 o  212.508   4.8387  122.386   5.5564   0.0000   0.0000  122.386   5.5564  ?   ?   212.508   4.8387      ?      ? 
1 1 1   23   12   36 o  108.529   5.3986   31.953   3.1660   0.0000   0.0000   31.953   3.1660  ?   ?   108.529   5.3986      ?      ? 
1 1 1   23   12   37 o   85.219   10.725   22.081   2.7379   18.860   8.9483   22.413   2.8758   79.590   20.635   90.848   5.8581 -11.25790 21.44999 
1 1 1   23   12   38 o  124.263   7.2583   38.866   3.1637   47.432   9.5420   37.808   3.3534  130.506   13.531  118.020   5.2582 12.48520 14.51661 
1 1 1   23   12   39 o  139.434   6.8505   52.985   5.1616   0.0000   0.0000   52.985   5.1616  ?   ?   139.434   6.8505      ?      ? 
1 1 1   23   12   40 o   78.479   8.9444   17.186   3.3810   18.016   6.2038   16.835   4.0324   78.722   15.134   78.236   9.5383 0.4862823 17.88879 
1 1 1   23   12   41 o   55.168   11.251   8.7337   3.3397   9.0205   6.1394   8.6131   3.9802   56.003   17.933   54.333   13.591 1.670799 22.50128 
1 1 1   23   12   42 o   64.005   9.8283   14.229   3.5072   3.3588   6.0535   19.722   4.3029   43.425   17.256   84.585   9.4141 -41.15985 19.65654 
1 1 1   23   12   43 o  218.918   6.7621  130.977   7.9993   0.0000   0.0000  130.977   7.9993  ?   ?   218.918   6.7621      ?      ? 
1 1 1   23   12   44 o   84.297   10.503   19.778   4.7843   0.0000   0.0000   19.778   4.7843  ?   ?    84.297   10.503      ?      ? 
1 1 1   23   12   45 o  137.143   7.9189   51.762   5.8685   0.0000   0.0000   51.762   5.8685  ?   ?   137.143   7.9189      ?      ? 
1 1 1   23   12   46 o   90.238   8.6619   23.126   4.1162   22.289   6.5205   23.680   5.3074   88.406   13.649   92.069   10.668 -3.663193 17.32379 
1 1 1   23   12   47 o   98.525   8.1367   26.106   4.2059   37.036   6.7541   19.183   5.3754  114.800   10.888   82.250   12.095 32.54989 16.27332 
1 1 1   23   12   48 o  212.009   7.3708  123.784   8.4442   0.0000   0.0000  123.784   8.4442  ?   ?   212.009   7.3708      ?      ? 
1 1 1   23   12   49 f  101.657   11.088   29.416   6.0911   0.0000   0.0000   29.416   6.0911  ?   ?   101.657   11.088      ?      ? 
1 1 1   23   12   50 o   34.531   11.094  -2.2536   4.4524  -3.1032   7.0064  -1.6780   5.7665   35.452   16.234   33.611   15.126 1.841377 22.18850 
1 1 1   23   12   51 o  172.062   6.3245   82.750   5.8664   76.456   8.3012   89.030   8.2914  165.296   9.2938  178.827   8.5804 -13.53081 12.64900 
1 1 1   23   12   52 o   46.217   12.369   5.2639   4.6312  -0.0393   6.6939   10.133   6.4142   37.245   16.562   55.189   18.375 -17.94379 24.73702 
1 1 1   23   12   53 o  179.001   6.1185   90.320   5.9064   83.043   8.2590   97.937   8.4500  171.391   8.9177  186.611   8.3798 -15.21992 12.23708 
1 1 1   23   12   54 o   44.709   12.607   5.2958   4.6311   3.6905   6.8843   6.6226   6.2589   42.485   17.809   46.933   17.849 -4.448101 25.21412 
1 1 1   23   13    0 o  730.885   9.3376  1445.94   36.860  1408.58   51.157  1486.28   53.157  721.085   13.129  740.684   13.281 -19.59882 18.67511 
1 1 1   23   13    1 o  257.475   10.497  181.194   14.436  168.626   21.687  191.194   19.344  249.314   16.098  265.636   13.477 -16.32129 20.99413 
1 1 1   23   13    2 o  146.469   15.925   60.013   11.951   55.878   18.848   62.793   15.456  140.924   25.698  152.013   18.816 -11.08826 31.85024 
1 1 1   23   13    3 o  718.674   13.329  1397.50   51.629  1316.89   70.031  1493.47   76.416  696.126   18.617  741.221   19.079 -45.09528 26.65707 
1 1 1   23   13    5 o   61.344   13.900   8.9233   5.6666   15.689   8.1208   2.5025   7.9108   74.633   19.808   48.055   19.507 26.57729 27.80027 
1 1 1   23   13    6 o  358.947   6.1887  348.786   11.984  345.089   17.404  352.120   16.526  357.122   9.0187  360.773   8.4772 -3.650818 12.37744 
1 1 1   23   13    7 o  343.472   6.0871  319.352   11.287  314.519   16.249  323.859   15.690  340.948   8.8195  345.996   8.3922 -5.048706 12.17425 
1 1 1   23   13    8 o  593.418   11.195  953.592   35.900   0.0000   0.0000  953.592   35.900  ?   ?   593.418   11.195      ?      ? 
1 1 1   23   13    9 o  262.824   6.4378  187.514   8.9812  183.671   14.012  190.193   11.700  260.492   9.9548  265.156   8.1661 -4.663269 12.87569 
1 1 1   23   13   10 o  273.201   9.9525  202.049   14.693  202.049   14.693   0.0000   0.0000  273.201   9.9525  ?   ?       ?      ? 
1 1 1   23   13   11 o  467.422   12.764  592.342   32.239   0.0000   0.0000  592.342   32.239  ?   ?   467.422   12.764      ?      ? 
1 1 1   23   13   12 o  239.434   6.5928  157.040   8.4242  179.492   11.678  132.680   12.164  257.534   8.3917  221.334   10.171 36.20020 13.18559 
1 1 1   23   13   13 o  308.570   5.7887  257.762   9.6480  254.939   13.803  260.459   13.491  306.908   8.3228  310.231   8.0478 -3.322479 11.57736 
1 1 1   23   13   14 o  159.566   6.6663   68.748   5.7303   76.799   8.3341   61.529   7.8917  168.411   9.1580  150.721   9.6896 17.68939 13.33256 
1 1 1   23   13   15 o  121.086   11.013   39.744   7.2062   0.0000   0.0000   39.744   7.2062  ?   ?   121.086   11.013      ?      ? 
1 1 1   23   13   16 o  387.578   6.4676  407.931   12.389  404.054   22.637  409.588   14.803  386.074   10.851  389.082   7.0408 -3.007874 12.93511 
1 1 1   23   13   17 o   73.795   13.986   15.283   5.3730   0.0000   0.0000   15.283   5.3730  ?   ?    73.795   13.986      ?      ? 
1 1 1   23   13   18 o  305.233   6.6140  252.078   10.909   0.0000   0.0000  252.078   10.909  ?   ?   305.233   6.6140      ?      ? 
1 1 1   23   13   19 o  176.395   6.2297   84.186   5.9380   0.0000   0.0000   84.186   5.9380  ?   ?   176.395   6.2297      ?      ? 
1 1 1   23   13   20 o  318.322   8.6261  274.578   14.838   0.0000   0.0000  274.578   14.838  ?   ?   318.322   8.6261      ?      ? 
1 1 1   23   13   21 f  131.655   6.9773   46.928   4.9638   0.0000   0.0000   46.928   4.9638  ?   ?   131.655   6.9773      ?      ? 
1 1 1   23   13   22 o  204.157   9.0973  113.036   10.036   0.0000   0.0000  113.036   10.036  ?   ?   204.157   9.0973      ?      ? 
1 1 1   23   13   23 o  103.829   7.6573   29.211   4.2962   0.0000   0.0000   29.211   4.2962  ?   ?   103.829   7.6573      ?      ? 
1 1 1   23   13   24 o  252.002   5.2724  171.844   7.1796   0.0000   0.0000  171.844   7.1796  ?   ?   252.002   5.2724      ?      ? 
1 1 1   23   13   25 o  322.997   5.8591  282.475   10.226   0.0000   0.0000  282.475   10.226  ?   ?   322.997   5.8591      ?      ? 
1 1 1   23   13   26 o  231.718   5.0889  145.311   6.3719   0.0000   0.0000  145.311   6.3719  ?   ?   231.718   5.0889      ?      ? 
1 1 1   23   13   27 f  287.127   5.5190  223.195   8.5630   0.0000   0.0000  223.195   8.5630  ?   ?   287.127   5.5190      ?      ? 
1 1 1   23   13   28 o   87.468   6.9992   20.746   3.3081   0.0000   0.0000   20.746   3.3081  ?   ?    87.468   6.9992      ?      ? 
1 1 1   23   13   29 o  254.301   5.1998  175.124   7.1453   0.0000   0.0000  175.124   7.1453  ?   ?   254.301   5.1998      ?      ? 
1 1 1   23   13   30 o  182.267   4.9927   89.966   4.9174   0.0000   0.0000   89.966   4.9174  ?   ?   182.267   4.9927      ?      ? 
1 1 1   23   13   31 o  213.697   4.8431  123.665   5.5925   0.0000   0.0000  123.665   5.5925  ?   ?   213.697   4.8431      ?      ? 
1 1 1   23   13   32 f  131.494   5.0491   46.841   3.5876   0.0000   0.0000   46.841   3.5876  ?   ?   131.494   5.0491      ?      ? 
1 1 1   23   13   33 o   93.173   6.1617   23.559   3.1022   0.0000   0.0000   23.559   3.1022  ?   ?    93.173   6.1617      ?      ? 
1 1 1   23   13   34 f  122.985   5.3314   41.020   3.5431   0.0000   0.0000   41.020   3.5431  ?   ?   122.985   5.3314      ?      ? 
1 1 1   23   13   35 o   83.544   6.7591   18.979   3.0513   0.0000   0.0000   18.979   3.0513  ?   ?    83.544   6.7591      ?      ? 
1 1 1   23   13   36 o  134.008   5.1948   48.717   3.7617   0.0000   0.0000   48.717   3.7617  ?   ?   134.008   5.1948      ?      ? 
1 1 1   23   13   37 o  211.441   6.3853  124.373   5.3269  119.617   13.201  125.298   5.8220  207.991   11.745  214.891   5.0138 -6.900421 12.77053 
1 1 1   23   13   38 o  141.485   7.7776   61.736   3.8693   46.914   10.277   64.184   4.1765  129.202   14.721  153.769   5.0265 -24.56696 15.55526 
1 1 1   23   13   39 o  245.086   6.3182  156.396   7.2569  182.230   14.969  148.459   8.2971  256.762   10.789  233.411   6.5784 23.35085 12.63634 
1 1 1   23   13   40 o  178.266   6.6579   86.699   6.4135   0.0000   0.0000   86.699   6.4135  ?   ?   178.266   6.6579      ?      ? 
1 1 1   23   13   41 o  165.914   6.8224   75.163   6.1166   0.0000   0.0000   75.163   6.1166  ?   ?   165.914   6.8224      ?      ? 
1 1 1   23   13   42 o  120.742   7.0146   42.449   4.1978   34.523   7.1736   46.576   5.1767  111.067   11.953  130.417   7.3456 -19.34943 14.02928 
1 1 1   23   13   43 o   38.633   11.188   2.0271   3.4861   2.3731   6.2973   1.8743   4.1860   41.947   17.259   35.318   14.241 6.628994 22.37556 
1 1 1   23   13   44 o  117.931   7.2477   40.392   4.3173   33.394   7.1508   44.407   5.4158  108.822   12.160  127.039   7.8893 -18.21712 14.49536 
1 1 1   23   13   45 o  102.697   9.1737   29.208   5.0908   0.0000   0.0000   29.208   5.0908  ?   ?   102.697   9.1737      ?      ? 
1 1 1   23   13   46 o  108.671   7.7847   34.334   4.3318   28.945   7.0143   37.657   5.5075  100.757   12.883  116.584   8.7424 -15.82613 15.56935 
1 1 1   23   13   47 o   51.395   12.442   6.7607   4.0518   11.022   6.9220   4.5394   4.9975   59.824   19.030   42.965   16.033 16.85855 24.88377 
1 1 1   23   13   48 o  112.216   8.1755   37.365   4.7079   29.791   7.4057   42.503   6.0990  101.168   13.547  123.265   9.1565 -22.09770 16.35107 
1 1 1   23   13   49 o  111.220   8.0327   34.960   4.7422   37.021   7.5186   33.598   6.1111  113.430   12.267  109.010   10.375 4.419899 16.06543 
1 1 1   23   13   50 o  201.323   8.1807  112.491   8.8996   0.0000   0.0000  112.491   8.8996  ?   ?   201.323   8.1807      ?      ? 
1 1 1   23   13   51 o   54.771   11.634   8.7921   4.7405  -2.1159   7.2093   17.101   6.2920   36.357   16.579   73.185   16.325 -36.82824 23.26766 
1 1 1   23   13   52 o   96.138   10.651   29.493   5.1663   23.303   7.8116   34.305   6.8877   84.107   17.746  108.168   11.784 -24.06173 21.30201 
1 1 1   23   13   53 o   50.834   14.147   5.1498   5.4009   15.209   10.084   1.1040   6.3954   63.677   22.938   37.992   16.564 25.68538 28.29362 
1 1 1   23   14    0 o  437.779   6.7471  518.661   15.952  518.696   22.950  518.627   22.188  437.782   9.7014  437.777   9.3794 0.4974365E-02 13.49412 
1 1 1   23   14    1 o  261.967   6.2684  185.308   8.8531  190.938   13.043  180.498   12.056  265.640   9.0866  258.294   8.6374 7.345612 12.53677 
1 1 1   23   14    2 o   67.721   26.993   6.4617   14.856   0.0000   0.0000   6.4617   14.856  ?   ?    67.721   26.993      ?      ? 
1 1 1   23   14    3 f  189.749   12.936   96.542   13.061  105.248   20.680   90.766   16.845  196.693   19.457  182.805   17.053 13.88799 25.87252 
1 1 1   23   14    4 o  344.022   9.9977  321.074   18.461  319.820   27.730  322.072   24.741  343.345   14.946  344.700   13.283 -1.355621 19.99543 
1 1 1   23   14    5 o  178.461   12.333   91.107   9.0120   79.595   20.838   93.755   9.9951  170.815   22.576  186.107   9.9388 -15.29222 24.66670 
1 1 1   23   14    6 o  139.766   8.2415   52.755   6.2146   56.401   9.0883   49.552   8.5170  144.288   11.656  135.244   11.654 9.044067 16.48296 
1 1 1   23   14    7 o  474.871   9.6733  610.473   24.822   0.0000   0.0000  610.473   24.822  ?   ?   474.871   9.6733      ?      ? 
1 1 1   23   14    8 o  143.913   7.8572   56.028   6.0913   50.141   8.4417   62.424   8.7980  136.024   11.485  151.802   10.726 -15.77821 15.71435 
1 1 1   23   14    9 o  190.016   9.5981   97.771   9.8551   0.0000   0.0000   97.771   9.8551  ?   ?   190.016   9.5981      ?      ? 
1 1 1   23   14   10 o  374.846   7.0521  378.959   13.838  387.162   22.681  374.095   17.465  377.949   11.106  371.742   8.6946 6.206177 14.10429 
1 1 1   23   14   11 o  267.310   8.6399  193.437   12.480   0.0000   0.0000  193.437   12.480  ?   ?   267.310   8.6399      ?      ? 
1 1 1   23   14   12 o  500.604   8.4216  680.020   21.987  680.983   27.697  678.378   36.155  501.335   10.224  499.874   13.385 1.461212 16.84319 
1 1 1   23   14   13 o  306.582   6.0482  253.758   10.003  266.629   14.678  242.596   13.669  313.814   8.6555  299.351   8.4501 14.46246 12.09639 
1 1 1   23   14   14 o  499.029   7.1099  673.721   19.156  647.554   26.440  702.633   27.793  488.853   10.009  509.205   10.101 -20.35236 14.21984 
1 1 1   23   14   16 o  419.572   6.7851  488.956   14.388  442.342   24.622  513.123   17.729  403.763   11.285  435.381   7.5358 -31.61768 13.57014 
1 1 1   23   14   17 o   67.185   14.402   12.754   5.0714   0.0000   0.0000   12.754   5.0714  ?   ?    67.185   14.402      ?      ? 
1 1 1   23   14   18 o  148.324   13.036   59.844   10.448   0.0000   0.0000   59.844   10.448  ?   ?   148.324   13.036      ?      ? 
1 1 1   23   14   19 o  271.529   9.1642  199.914   13.446   0.0000   0.0000  199.914   13.446  ?   ?   271.529   9.1642      ?      ? 
1 1 1   23   14   20 o  152.485   9.1392   63.060   7.5305   0.0000   0.0000   63.060   7.5305  ?   ?   152.485   9.1392      ?      ? 
1 1 1   23   14   21 o  262.090   7.0911  186.048   10.043   0.0000   0.0000  186.048   10.043  ?   ?   262.090   7.0911      ?      ? 
1 1 1   23   14   22 o  114.647   7.8592   35.631   4.8689   0.0000   0.0000   35.631   4.8689  ?   ?   114.647   7.8592      ?      ? 
1 1 1   23   14   23 o  192.701   5.7406  100.530   5.9777   0.0000   0.0000  100.530   5.9777  ?   ?   192.701   5.7406      ?      ? 
1 1 1   23   14   24 f  152.586   6.1502   63.058   5.0709   0.0000   0.0000   63.058   5.0709  ?   ?   152.586   6.1502      ?      ? 
1 1 1   23   14   25 o   79.509   9.4240   17.178   4.0489   0.0000   0.0000   17.178   4.0489  ?   ?    79.509   9.4240      ?      ? 
1 1 1   23   14   26 o  224.831   5.2930  136.844   6.4305   0.0000   0.0000  136.844   6.4305  ?   ?   224.831   5.2930      ?      ? 
1 1 1   23   14   27 o   96.015   7.5498   25.021   3.9171   0.0000   0.0000   25.021   3.9171  ?   ?    96.015   7.5498      ?      ? 
1 1 1   23   14   28 o   90.248   7.6911   22.121   3.7507   0.0000   0.0000   22.121   3.7507  ?   ?    90.248   7.6911      ?      ? 
1 1 1   23   14   29 o  102.490   6.8028   28.505   3.7675   0.0000   0.0000   28.505   3.7675  ?   ?   102.490   6.8028      ?      ? 
1 1 1   23   14   30 o  230.396   5.2653  143.817   6.5552   0.0000   0.0000  143.817   6.5552  ?   ?   230.396   5.2653      ?      ? 
1 1 1   23   14   31 o  354.853   6.1076  341.585   11.711   0.0000   0.0000  341.585   11.711  ?   ?   354.853   6.1076      ?      ? 
1 1 1   23   14   32 o  167.706   5.0593   76.228   4.5849   0.0000   0.0000   76.228   4.5849  ?   ?   167.706   5.0593      ?      ? 
1 1 1   23   14   33 o  229.509   4.9982  142.797   6.1987   0.0000   0.0000  142.797   6.1987  ?   ?   229.509   4.9982      ?      ? 
1 1 1   23   14   34 o  151.660   5.1551   62.380   4.2247   0.0000   0.0000   62.380   4.2247  ?   ?   151.660   5.1551      ?      ? 
1 1 1   23   14   35 o  210.789   5.6110  120.629   6.3911   0.0000   0.0000  120.629   6.3911  ?   ?   210.789   5.6110      ?      ? 
1 1 1   23   14   36 o  257.682   5.3437  180.292   7.4407   0.0000   0.0000  180.292   7.4407  ?   ?   257.682   5.3437      ?      ? 
1 1 1   23   14   37 o   88.086   6.8416   21.146   3.2565   0.0000   0.0000   21.146   3.2565  ?   ?    88.086   6.8416      ?      ? 
1 1 1   23   14   38 o  149.678   7.1277   58.912   3.9363   65.811   10.953   57.889   4.2181  153.399   13.214  145.956   5.3482 7.443176 14.25531 
1 1 1   23   14   39 o  153.456   6.8387   57.872   3.8657   75.248   11.162   55.504   4.1206  164.033   12.593  142.879   5.3371 21.15363 13.67738 
1 1 1   23   14   40 o   35.477   11.491  -4.2496   3.6821   2.1741   8.8289  -5.6022   4.0513   47.705   20.092   23.249   11.156 24.45627 22.98125 
1 1 1   23   14   41 o  202.190   6.8182  111.746   7.4493   0.0000   0.0000  111.746   7.4493  ?   ?   202.190   6.8182      ?      ? 
1 1 1   23   14   42 o  230.747   6.9233  145.737   8.6325   0.0000   0.0000  145.737   8.6325  ?   ?   230.747   6.9233      ?      ? 
1 1 1   23   14   43 o  227.200   6.9866  141.480   8.5776   0.0000   0.0000  141.480   8.5776  ?   ?   227.200   6.9866      ?      ? 
1 1 1   23   14   44 o  210.544   7.0041  121.515   7.9686   0.0000   0.0000  121.515   7.9686  ?   ?   210.544   7.0041      ?      ? 
1 1 1   23   14   45 o   93.002   9.7717   26.984   4.2982   19.854   7.2417   30.862   5.3407   80.651   17.145  105.354   9.3813 -24.70249 19.54341 
1 1 1   23   14   46 o   64.773   11.898   13.522   4.2202   9.7190   7.0844   15.614   5.2543   56.962   19.311   72.584   13.902 -15.62238 23.79515 
1 1 1   23   14   47 o   89.961   10.280   25.477   4.4535   19.620   7.4384   28.749   5.5603   78.916   17.860  101.007   10.187 -22.09116 20.56093 
1 1 1   23   14   48 o   38.919   11.556  -0.9151   4.1829   6.7203   7.1068  -4.9623   5.1741   50.046   19.023   27.792   13.127 22.25411 23.11232 
1 1 1   23   14   49 o  165.157   8.3256   75.775   7.4302   0.0000   0.0000   75.775   7.4302  ?   ?   165.157   8.3256      ?      ? 
1 1 1   23   14   50 o   60.448   11.058   12.872   5.0313  -7.1802   9.6247   20.412   5.9019   37.613   17.808   83.283   13.114 -45.66953 22.11552 
1 1 1   23   14   51 o   90.713   12.934   33.070   6.1676   12.962   10.633   43.266   7.5714   59.995   23.153  121.431   11.539 -61.43551 25.86865 
1 1 1   23   14   52 o  147.176   11.799   76.911   7.5170   41.712   12.261   98.108   9.5149  108.867   21.605  185.486   9.4930 -76.61891 23.59865 
1 1 1   23   15    0 o  141.559   8.8437   54.174   6.7493   59.641   9.8116   49.264   9.2988  148.328   12.241  134.790   12.767 13.53899 17.68735 
1 1 1   23   15    1 o  261.490   6.3547  185.068   8.9575  185.254   13.135  184.907   12.247  261.596   9.2919  261.384   8.6711 0.2118530 12.70933 
1 1 1   23   15    2 o  219.413   6.7378  130.413   7.9812  128.633   11.491  132.072   11.093  217.954   9.7569  220.872   9.2947 -2.917206 13.47554 
1 1 1   23   15    3 o  368.976   6.3897  368.694   12.733  354.380   18.005  383.014   18.008  361.795   9.2097  376.156   8.8596 -14.36136 12.77930 
1 1 1   23   15    4 o  169.237   10.455   70.280   8.7399   60.725   10.182   97.027   17.035  149.623   12.594  188.851   16.693 -39.22786 20.91058 
1 1 1   23   15    5 o  148.626   17.334   61.914   13.214   59.775   21.025   63.311   16.990  145.000   27.846  152.251   20.651 -7.251648 34.66727 
1 1 1   23   15    6 o  483.422   10.765  633.708   28.069  582.207   38.754  690.541   40.710  462.758   15.498  504.086   14.945 -41.32770 21.53016 
1 1 1   23   15    7 o  281.407   9.5393  220.404   11.987  205.338   25.156  224.829   13.634  274.638   16.951  288.176   8.7557 -13.53769 19.07863 
1 1 1   23   15    8 o  276.790   6.2263  207.358   9.3094  199.947   13.048  215.043   13.287  271.749   8.8853  281.832   8.7245 -10.08261 12.45256 
1 1 1   23   15    9 o  365.323   8.7497  361.349   17.273   0.0000   0.0000  361.349   17.273  ?   ?   365.323   8.7497      ?      ? 
1 1 1   23   15   10 o  414.375   9.1145  465.015   20.409   0.0000   0.0000  465.015   20.409  ?   ?   414.375   9.1145      ?      ? 
1 1 1   23   15   11 o  265.680   6.6902  184.959   9.3431  217.905   15.531  166.274   11.696  283.563   10.136  247.797   8.7348 35.76544 13.38047 
1 1 1   23   15   12 o  215.277   6.5546  125.550   7.6243  123.553   10.769  127.558   10.796  213.557   9.3316  216.998   9.2073 -3.441040 13.10930 
1 1 1   23   15   13 o  479.096   13.026  623.649   33.721   0.0000   0.0000  623.649   33.721  ?   ?   479.096   13.026      ?      ? 
1 1 1   23   15   14 o  292.961   5.9258  231.059   9.3520  213.201   12.650  252.583   13.888  280.557   8.3442  305.365   8.4164 -24.80792 11.85163 
1 1 1   23   15   15 o  167.307   9.1669   75.875   8.2875   75.875   8.2875   0.0000   0.0000  167.307   9.1669  ?   ?       ?      ? 
1 1 1   23   15   16 o   58.285   12.175   8.4495   4.3354   14.586   6.6531   3.9209   5.7156   71.618   17.370   44.951   17.066 26.66733 24.35060 
1 1 1   23   15   17 o  237.579   7.1549  152.841   9.1854   0.0000   0.0000  152.841   9.1854  ?   ?   237.579   7.1549      ?      ? 
1 1 1   23   15   18 o  257.841   5.8751  179.910   8.1858   0.0000   0.0000  179.910   8.1858  ?   ?   257.841   5.8751      ?      ? 
1 1 1   23   15   19 o  125.339   8.1036   42.584   5.4885   0.0000   0.0000   42.584   5.4885  ?   ?   125.339   8.1036      ?      ? 
1 1 1   23   15   20 o  153.757   6.9628   64.043   5.7850   0.0000   0.0000   64.043   5.7850  ?   ?   153.757   6.9628      ?      ? 
1 1 1   23   15   21 o  152.331   6.7622   62.870   5.5663   0.0000   0.0000   62.870   5.5663  ?   ?   152.331   6.7622      ?      ? 
1 1 1   23   15   22 o  142.792   6.9808   55.261   5.3864   0.0000   0.0000   55.261   5.3864  ?   ?   142.792   6.9808      ?      ? 
1 1 1   23   15   23 o  308.292   7.3908  257.696   12.312   0.0000   0.0000  257.696   12.312  ?   ?   308.292   7.3908      ?      ? 
1 1 1   23   15   24 o   65.073   13.065   11.978   4.4345   0.0000   0.0000   11.978   4.4345  ?   ?    65.073   13.065      ?      ? 
1 1 1   23   15   25 o  261.645   5.7736  185.437   8.1630   0.0000   0.0000  185.437   8.1630  ?   ?   261.645   5.7736      ?      ? 
1 1 1   23   15   26 o   90.479   8.8757   22.268   4.3395   0.0000   0.0000   22.268   4.3395  ?   ?    90.479   8.8757      ?      ? 
1 1 1   23   15   27 o  210.549   6.1404  120.195   6.9861   0.0000   0.0000  120.195   6.9861  ?   ?   210.549   6.1404      ?      ? 
1 1 1   23   15   28 o  143.157   6.2112   55.580   4.8048   0.0000   0.0000   55.580   4.8048  ?   ?   143.157   6.2112      ?      ? 
1 1 1   23   15   29 o  202.558   5.3439  111.183   5.8492   0.0000   0.0000  111.183   5.8492  ?   ?   202.558   5.3439      ?      ? 
1 1 1   23   15   30 f  143.599   5.8053   55.927   4.5047   0.0000   0.0000   55.927   4.5047  ?   ?   143.599   5.8053      ?      ? 
1 1 1   23   15   31 o  179.587   5.3578   87.461   5.1993   0.0000   0.0000   87.461   5.1993  ?   ?   179.587   5.3578      ?      ? 
1 1 1   23   15   32 o  129.090   5.9643   45.245   4.1604   0.0000   0.0000   45.245   4.1604  ?   ?   129.090   5.9643      ?      ? 
1 1 1   23   15   33 o  240.710   5.1705  157.159   6.7253   0.0000   0.0000  157.159   6.7253  ?   ?   240.710   5.1705      ?      ? 
1 1 1   23   15   34 o   80.411   7.8715   17.642   3.4203   0.0000   0.0000   17.642   3.4203  ?   ?    80.411   7.8715      ?      ? 
1 1 1   23   15   35 o   33.054   12.534   2.2216   3.0809   0.0000   0.0000   2.2216   3.0809  ?   ?    33.054   12.534      ?      ? 
1 1 1   23   15   36 o   57.757   10.401   9.4612   3.1268   0.0000   0.0000   9.4612   3.1268  ?   ?    57.757   10.401      ?      ? 
1 1 1   23   15   37 o  158.094   5.2549   67.916   4.4892   0.0000   0.0000   67.916   4.4892  ?   ?   158.094   5.2549      ?      ? 
1 1 1   23   15   38 o  281.425   6.3877  216.999   7.6330  219.257   17.444  216.464   8.4888  280.771   11.498  282.079   5.5691 -1.308350 12.77537 
1 1 1   23   15   39 o  167.417   6.7602   72.012   4.4069   85.360   11.658   69.787   4.7601  174.680   12.351  160.154   5.5004 14.52551 13.52048 
1 1 1   23   15   40 o   83.082   11.944   20.244   4.3308   20.471   9.5188   20.184   4.8633   80.936   21.428   85.227   10.560 -4.290375 23.88855 
1 1 1   23   15   41 o  206.901   6.8908  117.173   7.7041   0.0000   0.0000  117.173   7.7041  ?   ?   206.901   6.8908      ?      ? 
1 1 1   23   15   42 o  134.447   7.1153   52.764   4.8616   41.320   7.7962   60.045   6.2187  121.142   11.910  147.752   7.7890 -26.60999 14.23057 
1 1 1   23   15   43 o   98.087   10.018   30.420   4.6153   20.259   7.5752   36.419   5.8202   81.570   17.695  114.604   9.3983 -33.03470 20.03609 
1 1 1   23   15   44 o  127.667   7.7184   47.004   5.0205   41.688   8.3577   50.005   6.2797  120.958   12.787  134.376   8.6483 -13.41753 15.43685 
1 1 1   23   15   45 o   40.751   11.833   2.4158   4.2421  -1.9270   7.3998   4.5416   5.1772   38.208   17.170   43.294   16.287 -5.086155 23.66630 
1 1 1   23   15   46 o  134.064   13.641   75.832   6.5043   27.230   13.314   91.068   7.4544   86.702   26.201  181.426   7.6037 -94.72366 27.28224 
1 1 1   23   15   47 o   63.991   12.971   15.441   5.8289  -8.2883   13.463   20.914   6.4664   44.901   21.198   83.081   14.954 -38.17956 25.94149 
1 1 1   23   15   49 o   99.388   12.587   45.010   6.7458   3.4257   12.816   60.946   7.9338   52.265   23.094  146.511   10.021 -94.24617 25.17418 
1 1 1   23   15   50 o   62.444   14.093   13.590   5.2866   15.078   8.3571   12.597   6.8260   64.482   20.950   60.406   18.855 4.075611 28.18578 
1 1 1   23   15   51 o   33.210   11.086  -5.9025   4.8521  -1.2644   8.2531  -8.3524   5.9982   39.376   17.872   27.043   13.123 12.33313 22.17227 
1 1 1   23   15   52 o   77.428   12.332   20.756   5.0588   17.610   8.0870   22.778   6.4842   69.089   20.312   85.767   13.991 -16.67735 24.66442 
1 1 1   23   16    0 o  168.854   11.166   77.292   10.188   77.292   10.188   0.0000   0.0000  168.854   11.166  ?   ?       ?      ? 
1 1 1   23   16    1 o  111.904   11.255   35.125   6.4790   27.090   9.2549   42.848   9.0733   98.179   18.112  125.628   13.366 -27.44965 22.50971 
1 1 1   23   16    2 o  235.576   6.5819  150.306   8.3709  141.924   11.763  158.906   11.915  228.909   9.5097  242.243   9.1023 -13.33348 13.16384 
1 1 1   23   16    3 o  461.769   7.0144  577.809   17.499  568.242   24.871  587.188   24.625  457.966   10.050  465.571   9.7881 -7.605194 14.02881 
1 1 1   23   16    4 o  451.520   6.8812  552.353   16.787  547.024   23.869  557.568   23.612  449.353   9.8303  453.688   9.6315 -4.334290 13.76231 
1 1 1   23   16    5 o  393.006   6.5316  418.515   13.864  410.764   19.815  425.949   19.404  389.421   9.4163  396.591   9.0544 -7.170227 13.06326 
1 1 1   23   16    7 f  266.154   11.772  194.052   16.777  184.009   25.100  202.162   22.555  259.726   17.884  272.582   15.313 -12.85638 23.54430 
1 1 1   23   16    8 o  117.790   21.754   39.830   13.857   40.766   21.509   39.167   18.117  118.943   32.528  116.638   28.895 2.304848 43.50830 
1 1 1   23   16    9 o  402.405   10.657  441.718   23.117  409.910   32.897  472.748   32.492  387.937   15.693  416.873   14.424 -28.93521 21.31484 
1 1 1   23   16   10 o  167.190   24.897   77.162   22.493   77.162   22.493   0.0000   0.0000  167.190   24.897  ?   ?       ?      ? 
1 1 1   23   16   11 o  168.604   7.8100   78.388   6.9911   63.446   10.089   92.188   9.6962  152.816   12.218  184.393   9.7313 -31.57713 15.62005 
1 1 1   23   16   12 o  361.366   11.004  354.504   21.487  354.504   21.487   0.0000   0.0000  361.366   11.004  ?   ?       ?      ? 
1 1 1   23   16   13 o  263.285   10.266  188.108   14.606   0.0000   0.0000  188.108   14.606  ?   ?   263.285   10.266      ?      ? 
1 1 1   23   16   14 o  315.386   10.549  270.045   17.977   0.0000   0.0000  270.045   17.977  ?   ?   315.386   10.549      ?      ? 
1 1 1   23   16   15 f  304.438   10.092  251.577   16.601  251.577   16.601   0.0000   0.0000  304.438   10.092  ?   ?       ?      ? 
1 1 1   23   16   16 o  332.324   7.0007  299.095   12.572   0.0000   0.0000  299.095   12.572  ?   ?   332.324   7.0007      ?      ? 
1 1 1   23   16   17 o  174.439   7.0249   82.425   6.6217   0.0000   0.0000   82.425   6.6217  ?   ?   174.439   7.0249      ?      ? 
1 1 1   23   16   18 o  164.564   7.2742   73.391   6.4685   0.0000   0.0000   73.391   6.4685  ?   ?   164.564   7.2742      ?      ? 
1 1 1   23   16   19 o  141.955   7.8585   54.655   6.0281   0.0000   0.0000   54.655   6.0281  ?   ?   141.955   7.8585      ?      ? 
1 1 1   23   16   20 o  262.325   5.9226  186.342   8.3954   0.0000   0.0000  186.342   8.3954  ?   ?   262.325   5.9226      ?      ? 
1 1 1   23   16   21 o   85.221   11.290   19.785   5.1990   0.0000   0.0000   19.785   5.1990  ?   ?    85.221   11.290      ?      ? 
1 1 1   23   16   22 o  156.672   6.8686   66.537   5.8150   0.0000   0.0000   66.537   5.8150  ?   ?   156.672   6.8686      ?      ? 
1 1 1   23   16   23 o  124.743   7.9057   42.245   5.3290   0.0000   0.0000   42.245   5.3290  ?   ?   124.743   7.9057      ?      ? 
1 1 1   23   16   24 o   80.064   10.862   17.494   4.6993   0.0000   0.0000   17.494   4.6993  ?   ?    80.064   10.862      ?      ? 
1 1 1   23   16   25 o  325.853   6.7056  288.072   11.807   0.0000   0.0000  288.072   11.807  ?   ?   325.853   6.7056      ?      ? 
1 1 1   23   16   26 o  336.663   6.2743  307.397   11.414   0.0000   0.0000  307.397   11.414  ?   ?   336.663   6.2743      ?      ? 
1 1 1   23   16   27 o  101.554   8.4888   28.069   4.6583   0.0000   0.0000   28.069   4.6583  ?   ?   101.554   8.4888      ?      ? 
1 1 1   23   16   28 o  111.718   7.7519   33.944   4.6797   0.0000   0.0000   33.944   4.6797  ?   ?   111.718   7.7519      ?      ? 
1 1 1   23   16   29 o  136.682   6.5282   50.742   4.8216   0.0000   0.0000   50.742   4.8216  ?   ?   136.682   6.5282      ?      ? 
1 1 1   23   16   30 f   38.634   14.181   3.3709   3.8804   0.0000   0.0000   3.3709   3.8804  ?   ?    38.634   14.181      ?      ? 
1 1 1   23   16   31 o  166.083   5.7772   74.880   5.1848   0.0000   0.0000   74.880   5.1848  ?   ?   166.083   5.7772      ?      ? 
1 1 1   23   16   32 o  128.876   6.3584   45.150   4.4280   0.0000   0.0000   45.150   4.4280  ?   ?   128.876   6.3584      ?      ? 
1 1 1   23   16   33 o  211.527   5.3221  121.468   6.0833   0.0000   0.0000  121.468   6.0833  ?   ?   211.527   5.3221      ?      ? 
1 1 1   23   16   34 o  136.561   5.9716   50.718   4.4066   0.0000   0.0000   50.718   4.4066  ?   ?   136.561   5.9716      ?      ? 
1 1 1   23   16   35 o  134.363   5.8346   49.099   4.2362   0.0000   0.0000   49.099   4.2362  ?   ?   134.363   5.8346      ?      ? 
1 1 1   23   16   36 o  134.924   5.8050   49.543   4.2323   0.0000   0.0000   49.543   4.2323  ?   ?   134.924   5.8050      ?      ? 
1 1 1   23   16   37 o   29.289   12.235   0.5960   3.2322   0.0000   0.0000   0.5960   3.2322  ?   ?    29.289   12.235      ?      ? 
1 1 1   23   16   38 f   72.045   8.9419   14.292   3.4812   0.0000   0.0000   14.292   3.4812  ?   ?    72.045   8.9419      ?      ? 
1 1 1   23   16   39 o  108.437   8.4352   27.375   3.5307   41.802   9.9348   25.290   3.7773  120.787   15.221   96.087   7.2749 24.70033 16.87041 
1 1 1   23   16   40 o   95.530   11.294   30.202   3.6817   22.158   9.7930   31.526   3.9731   83.745   21.523  107.316   6.8514 -23.57074 22.58752 
1 1 1   23   16   41 o   30.434   10.532  -8.8866   4.3115  -7.9662   9.2882  -9.1394   4.8677   37.627   17.716   23.240   11.395 14.38709 21.06403 
1 1 1   23   16   42 o   46.705   13.935   0.2493   4.8620   9.4279   11.230  -1.8680   5.3938   60.749   23.696   32.661   14.670 28.08777 27.86929 
1 1 1   23   16   43 o  148.524   10.025   68.062   6.8986   53.874   12.887   73.761   8.1674  134.187   17.772  162.861   9.2807 -28.67439 20.04967 
1 1 1   23   16   44 o   47.683   13.758   4.3623   5.5259  -5.2860   11.808   7.0676   6.2528   44.902   20.747   50.464   18.075 -5.561768 27.51578 
1 1 1   23   16   45 o  116.906   13.541   53.248   6.6224   23.761   12.347   65.158   7.8466   81.434   25.349  152.378   9.5296 -70.94334 27.08121 
1 1 1   23   16   46 o   44.853   13.919   1.6748   5.5666   0.4140   12.066   2.0158   6.2742   49.382   22.077   40.324   16.958 9.058044 27.83829 
1 1 1   23   16   48 o   25.779   8.9991 -12.9717   4.6188 -22.1915   7.7737  -7.9408   5.7424   24.789   12.495   26.768   12.954 -1.978872 17.99822 
1 1 1   23   16   49 o   40.319   12.161   2.1215   4.8278  -2.4638   7.9223   4.8301   6.0889   37.117   17.094   43.522   17.302 -6.405087 24.32222 
1 1 1   23   16   50 o   95.198   11.822   30.559   5.5735   21.273   8.6978   37.028   7.2599   78.056   20.396  112.340   11.959 -34.28440 23.64342 
1 1 1   23   16   51 o   43.870   18.254   4.5617   7.1555   0.0000   0.0000   4.5617   7.1555  ?   ?    43.870   18.254      ?      ? 
1 1 1   23   17    0 o  365.991   6.4665  362.392   12.766  370.410   18.703  355.398   17.468  369.753   9.3606  362.229   8.9241 7.524292 12.93291 
1 1 1   23   17    1 o   88.448   13.621   21.731   6.5063   28.934   9.4741   15.302   8.9509  103.007   17.021   73.888   21.269 29.11993 27.24114 
1 1 1   23   17    2 f  107.050   16.210   31.229   9.3768   0.0000   0.0000   31.229   9.3768  ?   ?   107.050   16.210      ?      ? 
1 1 1   23   17    3 o  249.252   6.5155  168.131   8.7688  173.426   12.709  163.320   12.114  252.987   9.2970  245.518   9.1310 7.469391 13.03103 
1 1 1   23   17    4 o  360.792   6.4850  352.761   12.640  343.847   17.853  361.722   17.899  356.209   9.2752  365.375   9.0659 -9.166168 12.96992 
1 1 1   23   17    5 o  289.375   6.3257  226.663   9.8863  235.327   14.251  218.624   13.726  294.701   8.9492  284.050   8.9427 10.65042 12.65149 
1 1 1   23   17    7 o  274.604   8.7640  204.345   13.005   0.0000   0.0000  204.345   13.005  ?   ?   274.604   8.7640      ?      ? 
1 1 1   23   17    8 o   68.868   14.788   13.122   5.9911   12.483   8.5096   13.749   8.4364   67.547   21.047   70.188   20.777 -2.640686 29.57524 
1 1 1   23   17    9 o  225.661   9.5791  130.519   10.106  123.138   11.523  155.113   21.033  213.040   10.010  238.282   16.335 -25.24208 19.15823 
1 1 1   23   17   10 o   67.869   20.356  -0.8967   13.718 -18.8378   22.172   10.230   17.461   60.227   28.034   75.511   29.521 -15.28375 40.71111 
1 1 1   23   17   11 o  317.757   11.712  280.132   19.763  249.324   29.813  304.279   26.395  301.522   18.298  333.992   14.625 -32.46948 23.42441 
1 1 1   23   17   12 o  163.122   22.259   73.559   19.620   0.0000   0.0000   73.559   19.620  ?   ?   163.122   22.259      ?      ? 
1 1 1   23   17   13 o  381.139   11.506  395.045   23.697  395.045   23.697   0.0000   0.0000  381.139   11.506  ?   ?       ?      ? 
1 1 1   23   17   14 o  298.842   6.9677  236.655   10.952  218.731   13.766  267.568   18.078  283.928   8.9723  313.756   10.663 -29.82837 13.93549 
1 1 1   23   17   15 o  240.333   6.0987  158.010   7.6091  151.959   12.526  161.548   9.5792  236.509   9.8010  244.158   7.2606 -7.648300 12.19736 
1 1 1   23   17   16 o  151.395   8.6992   62.217   7.1167   0.0000   0.0000   62.217   7.1167  ?   ?   151.395   8.6992      ?      ? 
1 1 1   23   17   17 o  166.226   8.7114   75.018   7.8248   0.0000   0.0000   75.018   7.8248  ?   ?   166.226   8.7114      ?      ? 
1 1 1   23   17   18 o  379.320   9.8094  391.149   20.107   0.0000   0.0000  391.149   20.107  ?   ?   379.320   9.8094      ?      ? 
1 1 1   23   17   19 o  139.142   8.1887   52.542   6.1569   0.0000   0.0000   52.542   6.1569  ?   ?   139.142   8.1887      ?      ? 
1 1 1   23   17   20 o  251.939   7.0520  172.109   9.6006   0.0000   0.0000  172.109   9.6006  ?   ?   251.939   7.0520      ?      ? 
1 1 1   23   17   21 o   35.242   15.097  -0.1552   5.1320   0.0000   0.0000  -0.1552   5.1320  ?   ?    35.242   15.097      ?      ? 
1 1 1   23   17   22 o   98.775   9.9817   26.589   5.3277   0.0000   0.0000   26.589   5.3277  ?   ?    98.775   9.9817      ?      ? 
1 1 1   23   17   23 o  235.937   7.4448  151.176   9.4915   0.0000   0.0000  151.176   9.4915  ?   ?   235.937   7.4448      ?      ? 
1 1 1   23   17   24 o   61.411   14.950   10.816   4.9144   0.0000   0.0000   10.816   4.9144  ?   ?    61.411   14.950      ?      ? 
1 1 1   23   17   25 o   39.912   15.290   3.0616   4.6144   0.0000   0.0000   3.0616   4.6144  ?   ?    39.912   15.290      ?      ? 
1 1 1   23   17   26 o  182.917   6.3220   90.794   6.2488   0.0000   0.0000   90.794   6.2488  ?   ?   182.917   6.3220      ?      ? 
1 1 1   23   17   27 o  198.388   6.0090  106.806   6.4417   0.0000   0.0000  106.806   6.4417  ?   ?   198.388   6.0090      ?      ? 
1 1 1   23   17   28 o  143.458   6.7670   55.944   5.2458   0.0000   0.0000   55.944   5.2458  ?   ?   143.458   6.7670      ?      ? 
1 1 1   23   17   29 o  110.734   8.1066   33.435   4.8507   0.0000   0.0000   33.435   4.8507  ?   ?   110.734   8.1066      ?      ? 
1 1 1   23   17   30 o  104.354   8.3106   29.723   4.6863   0.0000   0.0000   29.723   4.6863  ?   ?   104.354   8.3106      ?      ? 
1 1 1   23   17   31 o  226.992   6.2433  140.090   7.6580   0.0000   0.0000  140.090   7.6580  ?   ?   226.992   6.2433      ?      ? 
1 1 1   23   17   32 o  104.092   8.0975   29.621   4.5547   0.0000   0.0000   29.621   4.5547  ?   ?   104.092   8.0975      ?      ? 
1 1 1   23   17   33 f  145.898   6.3085   57.943   4.9736   0.0000   0.0000   57.943   4.9736  ?   ?   145.898   6.3085      ?      ? 
1 1 1   23   17   34 o  119.151   6.9202   38.734   4.4556   0.0000   0.0000   38.734   4.4556  ?   ?   119.151   6.9202      ?      ? 
1 1 1   23   17   35 o  114.842   6.9982   36.020   4.3429   0.0000   0.0000   36.020   4.3429  ?   ?   114.842   6.9982      ?      ? 
1 1 1   23   17   36 o  229.705   5.4251  143.517   6.7339   0.0000   0.0000  143.517   6.7339  ?   ?   229.705   5.4251      ?      ? 
1 1 1   23   17   37 o  180.799   5.6995   89.031   5.5683   0.0000   0.0000   89.031   5.5683  ?   ?   180.799   5.6995      ?      ? 
1 1 1   23   17   38 o  117.890   7.2461   38.078   4.6160   0.0000   0.0000   38.078   4.6160  ?   ?   117.890   7.2461      ?      ? 
1 1 1   23   17   39 o  128.409   6.8676   45.156   4.7653   0.0000   0.0000   45.156   4.7653  ?   ?   128.409   6.8676      ?      ? 
1 1 1   23   17   40 o   25.305   11.683  -2.6925   3.7342   0.0000   0.0000  -2.6925   3.7342  ?   ?    25.305   11.683      ?      ? 
1 1 1   23   17   41 o   89.784   8.8543   22.304   4.2958   0.0000   0.0000   22.304   4.2958  ?   ?    89.784   8.8543      ?      ? 
1 1 1   23   17   42 o  236.495   7.7046  155.395   9.3152  163.469   16.155  151.374   11.401  239.579   12.479  233.410   9.0396 6.169495 15.40912 
1 1 1   23   17   43 o   52.324   12.499   7.7893   4.7004   0.7271   7.6158   12.135   5.9740   41.988   18.192   62.659   17.146 -20.67117 24.99823 
1 1 1   23   17   44 o   92.038   9.9281   24.404   4.8356   27.233   7.8072   22.644   6.1593   95.708   15.096   88.367   12.899 7.340889 19.85612 
1 1 1   23   17   45 o   61.886   13.211   11.104   4.7343   17.240   7.9296   7.7047   5.9015   72.736   19.692   51.037   17.617 21.69891 26.42254 
1 1 1   23   17   46 f  109.047   11.366   33.823   6.6973   0.0000   0.0000   33.823   6.6973  ?   ?   109.047   11.366      ?      ? 
1 1 1   23   17   47 o  105.549   10.582   36.598   5.3028   22.178   8.0386   47.708   7.0559   81.857   18.596  129.240   10.103 -47.38297 21.16363 
1 1 1   23   17   48 o  115.730   8.9435   40.339   5.4465   36.842   8.4506   42.824   7.1234  109.985   14.219  121.475   10.852 -11.48970 17.88693 
1 1 1   23   17   49 f  228.036   8.1019  146.187   9.9834   0.0000   0.0000  146.187   9.9834  ?   ?   228.036   8.1019      ?      ? 
1 1 1   23   17   50 o   63.306   13.576   15.039   5.3970   9.3407   8.6489   18.673   6.9068   52.662   20.720   73.951   17.548 -21.28891 27.15256 
1 1 1   23   18    0 o  261.612   6.6754  185.687   9.4307  178.380   13.357  192.951   13.318  256.457   9.6381  266.768   9.2386 -10.31058 13.35083 
1 1 1   23   18    1 o  188.600   7.5583   96.658   7.6947   93.571   11.019   99.595   10.750  185.634   10.985  191.567   10.384 -5.933243 15.11664 
1 1 1   23   18    2 o  318.924   9.1070  275.767   15.695   0.0000   0.0000  275.767   15.695  ?   ?   318.924   9.1070      ?      ? 
1 1 1   23   18    3 o   70.766   14.845   13.971   6.1370   16.199   8.5765   11.634   8.7853   75.512   20.494   66.019   21.482 9.492882 29.68985 
1 1 1   23   18    4 o  151.151   8.5738   62.312   6.9807   65.898   9.6958   58.453   10.059  155.726   11.522  146.576   12.700 9.150070 17.14756 
1 1 1   23   18    5 o  300.750   6.4587  245.380   10.486  231.781   14.778  259.168   14.880  292.328   9.3556  309.172   8.9067 -16.84427 12.91730 
1 1 1   23   18    6 o  164.585   11.350   73.616   10.094   0.0000   0.0000   73.616   10.094  ?   ?   164.585   11.350      ?      ? 
1 1 1   23   18    7 o   59.821   14.023   7.0256   6.1368   16.717   8.7400  -2.3986   8.6186   76.606   20.646   43.037   18.981 33.56934 28.04538 
1 1 1   23   18    8 o   72.095   13.716   14.599   6.0426   23.108   8.3107   5.0555   8.8016   90.304   17.664   53.886   20.989 36.41818 27.43261 
1 1 1   23   18   10 o  369.695   9.1315  370.900   18.242   0.0000   0.0000  370.900   18.242  ?   ?   369.695   9.1315      ?      ? 
1 1 1   23   18   11 o  132.730   8.7971   48.068   6.3021   49.887   8.8244   46.174   9.0034  135.330   12.067  130.130   12.804 5.199844 17.59424 
1 1 1   23   18   12 o  197.594   19.583  107.928   20.910   0.0000   0.0000  107.928   20.910  ?   ?   197.594   19.583      ?      ? 
1 1 1   23   18   13 o  203.069   19.193  114.009   21.061   0.0000   0.0000  114.009   21.061  ?   ?   203.069   19.193      ?      ? 
1 1 1   23   18   14 o  232.200   18.953  149.031   23.781   0.0000   0.0000  149.031   23.781  ?   ?   232.200   18.953      ?      ? 
1 1 1   23   18   16 o   51.132   18.439   6.1114   6.5185   0.0000   0.0000   6.1114   6.5185  ?   ?    51.132   18.439      ?      ? 
1 1 1   23   18   17 o  184.758   7.2768   92.576   7.2649   0.0000   0.0000   92.576   7.2649  ?   ?   184.758   7.2768      ?      ? 
1 1 1   23   18   18 o  356.845   6.3969  345.133   12.335   0.0000   0.0000  345.133   12.335  ?   ?   356.845   6.3969      ?      ? 
1 1 1   23   18   19 o  285.553   6.2341  221.029   9.6193   0.0000   0.0000  221.029   9.6193  ?   ?   285.553   6.2341      ?      ? 
1 1 1   23   18   20 o  131.312   16.912   47.792   12.000   0.0000   0.0000   47.792   12.000  ?   ?   131.312   16.912      ?      ? 
1 1 1   23   18   21 o  222.057   6.3882  133.740   7.6653   0.0000   0.0000  133.740   7.6653  ?   ?   222.057   6.3882      ?      ? 
1 1 1   23   18   22 o   39.614   15.736   2.3887   5.0330   0.0000   0.0000   2.3887   5.0330  ?   ?    39.614   15.736      ?      ? 
1 1 1   23   18   23 f  231.499   6.1693  145.364   7.7175   0.0000   0.0000  145.364   7.7175  ?   ?   231.499   6.1693      ?      ? 
1 1 1   23   18   24 o  227.848   6.1553  140.854   7.5785   0.0000   0.0000  140.854   7.5785  ?   ?   227.848   6.1553      ?      ? 
1 1 1   23   18   25 o  395.555   6.9780  425.278   14.915   0.0000   0.0000  425.278   14.915  ?   ?   395.555   6.9780      ?      ? 
1 1 1   23   18   26 f   29.461   13.486  -3.1598   4.8301   0.0000   0.0000  -3.1598   4.8301  ?   ?    29.461   13.486      ?      ? 
1 1 1   23   18   27 o   95.487   9.7903   24.965   5.0516   0.0000   0.0000   24.965   5.0516  ?   ?    95.487   9.7903      ?      ? 
1 1 1   23   18   28 o  262.538   6.1080  187.248   8.6652   0.0000   0.0000  187.248   8.6652  ?   ?   262.538   6.1080      ?      ? 
1 1 1   23   18   29 o  168.357   6.6871   77.126   6.0835   0.0000   0.0000   77.126   6.0835  ?   ?   168.357   6.6871      ?      ? 
1 1 1   23   18   30 o  215.404   7.6496  126.659   8.9039   0.0000   0.0000  126.659   8.9039  ?   ?   215.404   7.6496      ?      ? 
1 1 1   23   18   31 o  169.244   6.5839   78.015   6.0212   0.0000   0.0000   78.015   6.0212  ?   ?   169.244   6.5839      ?      ? 
1 1 1   23   18   32 o   53.248   15.236   8.2234   4.6057   0.0000   0.0000   8.2234   4.6057  ?   ?    53.248   15.236      ?      ? 
1 1 1   23   18   33 o   42.699   15.263   4.5606   4.4567   0.0000   0.0000   4.5606   4.4567  ?   ?    42.699   15.263      ?      ? 
1 1 1   23   18   34 o  220.122   6.5084  132.156   7.7415   0.0000   0.0000  132.156   7.7415  ?   ?   220.122   6.5084      ?      ? 
1 1 1   23   18   35 o  107.968   8.4160   32.028   4.9101   0.0000   0.0000   32.028   4.9101  ?   ?   107.968   8.4160      ?      ? 
1 1 1   23   18   36 o  203.311   6.3626  112.853   6.9900   0.0000   0.0000  112.853   6.9900  ?   ?   203.311   6.3626      ?      ? 
1 1 1   23   18   37 o  150.123   6.8245   61.677   5.5361   0.0000   0.0000   61.677   5.5361  ?   ?   150.123   6.8245      ?      ? 
1 1 1   23   18   38 o  110.361   7.8230   33.505   4.6653   0.0000   0.0000   33.505   4.6653  ?   ?   110.361   7.8230      ?      ? 
1 1 1   23   18   39 o   67.080   10.751   12.575   3.8971   0.0000   0.0000   12.575   3.8971  ?   ?    67.080   10.751      ?      ? 
1 1 1   23   18   40 o  132.735   7.7848   47.101   4.3156   53.378   10.312   45.768   4.7517  136.286   14.003  129.184   6.8070 7.102036 15.56969 
1 1 1   23   18   41 o  137.153   8.5241   55.349   4.6197   50.338   11.134   56.392   5.0773  130.914   15.739  143.392   6.5528 -12.47818 17.04828 
1 1 1   23   18   42 o  157.176   7.6346   69.971   4.8994   69.189   11.624   70.140   5.4028  154.417   13.931  159.935   6.2515 -5.518097 15.26916 
1 1 1   23   18   43 o  159.379   8.9656   79.369   6.5816   60.743   12.249   86.928   7.8037  142.022   15.961  176.735   8.1713 -34.71312 17.93121 
1 1 1   23   18   44 o   28.368   9.9214 -14.5796   4.6990  -5.4213   8.1526 -19.1358   5.7502   36.214   16.904   20.522   10.392 15.69254 19.84279 
1 1 1   23   18   45 o  155.440   8.9335   67.471   7.5037   0.0000   0.0000   67.471   7.5037  ?   ?   155.440   8.9335      ?      ? 
1 1 1   23   18   46 o  144.530   9.5186   59.632   7.4340   0.0000   0.0000   59.632   7.4340  ?   ?   144.530   9.5186      ?      ? 
1 1 1   23   18   47 o  131.400   8.3094   51.417   5.7389   44.832   8.7924   56.304   7.5750  122.550   13.277  140.250   9.9952 -17.70055 16.61889 
1 1 1   23   18   48 o  116.295   11.564   39.732   7.2670   0.0000   0.0000   39.732   7.2670  ?   ?   116.295   11.564      ?      ? 
1 1 1   23   19    0 f  210.436   8.4980  120.396   9.6575  117.387   13.377  123.671   13.957  207.706   11.918  213.167   12.117 -5.461639 16.99604 
1 1 1   23   19    1 o  292.204   8.0074  231.997   12.637  242.568   18.138  222.027   17.616  298.681   11.238  285.727   11.409 12.95355 16.01475 
1 1 1   23   19    2 o  294.183   7.5534  235.463   11.790  236.616   15.310  233.784   18.480  295.234   9.5967  293.132   11.667 2.102081 15.10687 
1 1 1   23   19    3 o  422.378   12.589  486.036   28.734   0.0000   0.0000  486.036   28.734  ?   ?   422.378   12.589      ?      ? 
1 1 1   23   19    4 f  276.897   11.540  208.649   17.267   0.0000   0.0000  208.649   17.267  ?   ?   276.897   11.540      ?      ? 
1 1 1   23   19    5 o  219.498   7.1061  131.096   8.4156  135.661   11.722  126.241   12.090  223.488   9.7062  215.508   10.382 7.980957 14.21224 
1 1 1   23   19    6 o   44.460   13.493  -1.1798   5.9437  -4.7992   8.2275   2.7708   8.5958   39.178   17.806   49.742   20.279 -10.56352 26.98685 
1 1 1   23   19    7 o  152.817   11.988   63.648   9.8991   63.648   9.8991   0.0000   0.0000  152.817   11.988  ?   ?       ?      ? 
1 1 1   23   19    8 o  215.581   6.8693  125.736   7.9750  112.161   10.912  141.299   11.684  203.117   9.9421  228.044   9.4817 -24.92604 13.73850 
1 1 1   23   19    9 o  214.296   7.0159  124.770   8.1144  133.567   11.635  116.440   11.322  221.673   9.7134  206.919   10.126 14.75414 14.03171 
1 1 1   23   19   10 o  130.598   9.2798   46.685   6.4797   55.658   9.3272   38.314   9.0084  142.862   12.082  118.334   14.088 24.52762 18.55952 
1 1 1   23   19   12 o   42.565   12.920  -0.3415   5.2800  -1.0299   6.9615   0.5907   8.1014   39.841   17.327   45.289   19.169 -5.448181 25.83961 
1 1 1   23   19   13 o  112.835   10.231   35.281   6.0972   44.324   8.7042   26.568   8.5434  127.381   12.646   98.289   16.086 29.09259 20.46117 
1 1 1   23   19   14 o  165.219   7.0647   69.671   6.1070   98.491   10.187   53.503   7.6302  190.240   9.9096  140.197   10.072 50.04286 14.12940 
1 1 1   23   19   15 o  160.162   12.625   70.180   10.926   0.0000   0.0000   70.180   10.926  ?   ?   160.162   12.625      ?      ? 
1 1 1   23   19   16 o  351.991   12.798  339.414   24.342   0.0000   0.0000  339.414   24.342  ?   ?   351.991   12.798      ?      ? 
1 1 1   23   19   19 o  273.397   10.280  204.029   15.187   0.0000   0.0000  204.029   15.187  ?   ?   273.397   10.280      ?      ? 
1 1 1   23   19   20 o  291.851   12.512  233.784   19.733   0.0000   0.0000  233.784   19.733  ?   ?   291.851   12.512      ?      ? 
1 1 1   23   19   21 o   43.245   17.148   2.9688   5.9667   0.0000   0.0000   2.9688   5.9667  ?   ?    43.245   17.148      ?      ? 
1 1 1   23   19   22 o  258.368   7.8499  181.648   10.960   0.0000   0.0000  181.648   10.960  ?   ?   258.368   7.8499      ?      ? 
1 1 1   23   19   23 o   46.016   17.770   4.0984   6.2675   0.0000   0.0000   4.0984   6.2675  ?   ?    46.016   17.770      ?      ? 
1 1 1   23   19   24 o   54.359   18.243   7.9549   6.3214   0.0000   0.0000   7.9549   6.3214  ?   ?    54.359   18.243      ?      ? 
1 1 1   23   19   25 o  256.012   7.7373  178.581   10.704   0.0000   0.0000  178.581   10.704  ?   ?   256.012   7.7373      ?      ? 
1 1 1   23   19   26 o  100.604   11.509   27.883   6.2567   0.0000   0.0000   27.883   6.2567  ?   ?   100.604   11.509      ?      ? 
1 1 1   23   19   27 o   60.956   17.019   10.822   5.8203   0.0000   0.0000   10.822   5.8203  ?   ?    60.956   17.019      ?      ? 
1 1 1   23   19   28 o  205.798   7.4675  115.560   8.3043   0.0000   0.0000  115.560   8.3043  ?   ?   205.798   7.4675      ?      ? 
1 1 1   23   19   29 o   57.790   16.767   9.7244   5.5428   0.0000   0.0000   9.7244   5.5428  ?   ?    57.790   16.767      ?      ? 
1 1 1   23   19   30 o  135.736   8.7724   50.529   6.4343   0.0000   0.0000   50.529   6.4343  ?   ?   135.736   8.7724      ?      ? 
1 1 1   23   19   31 o  108.584   9.2646   32.444   5.4360   0.0000   0.0000   32.444   5.4360  ?   ?   108.584   9.2646      ?      ? 
1 1 1   23   19   32 o  105.717   9.5811   30.814   5.4733   0.0000   0.0000   30.814   5.4733  ?   ?   105.717   9.5811      ?      ? 
1 1 1   23   19   33 f  176.480   8.9338   85.714   8.5195   0.0000   0.0000   85.714   8.5195  ?   ?   176.480   8.9338      ?      ? 
1 1 1   23   19   34 o   99.960   9.0538   27.557   4.8904   0.0000   0.0000   27.557   4.8904  ?   ?    99.960   9.0538      ?      ? 
1 1 1   23   19   35 o  229.925   5.8490  144.155   7.2670   0.0000   0.0000  144.155   7.2670  ?   ?   229.925   5.8490      ?      ? 
1 1 1   23   19   36 o  210.399   5.8707  120.801   6.6745   0.0000   0.0000  120.801   6.6745  ?   ?   210.399   5.8707      ?      ? 
1 1 1   23   19   37 o   85.984   9.9245   20.563   4.6112   0.0000   0.0000   20.563   4.6112  ?   ?    85.984   9.9245      ?      ? 
1 1 1   23   19   38 o  118.877   7.2745   38.798   4.6729   0.0000   0.0000   38.798   4.6729  ?   ?   118.877   7.2745      ?      ? 
1 1 1   23   19   39 o  119.606   7.3172   39.364   4.7292   0.0000   0.0000   39.364   4.7292  ?   ?   119.606   7.3172      ?      ? 
1 1 1   23   19   40 o   52.156   14.423   8.1483   4.2013   0.0000   0.0000   8.1483   4.2013  ?   ?    52.156   14.423      ?      ? 
1 1 1   23   19   41 o   84.298   12.578   20.502   4.2032   24.662   10.842   19.766   4.5597   84.835   23.051   83.760   10.074 1.075630 25.15605 
1 1 1   23   19   42 o  177.793   7.7457   87.518   5.5529   93.536   13.621   86.318   6.0811  178.408   14.129  177.178   6.3516 1.230026 15.49132 
1 1 1   23   19   43 o  162.697   10.746   40.707   6.3838  181.779   16.864   17.109   6.8971  251.595   12.404   73.799   17.551 177.7960 21.49213 
1 1 1   23   19   44 o   76.600   11.758   20.968   5.4100   4.5523   8.5888   31.765   6.9655   48.339   20.047  104.861   12.293 -56.52185 23.51564 
1 1 1   23   19   45 o  101.365   10.086   30.138   5.3970   39.957   8.7837   24.183   6.8406  114.030   14.255   88.700   14.272 25.33060 20.17160 
1 1 1   23   19   46 o   40.476   12.445   0.8111   4.9753   4.2533   8.0091  -1.3519   6.3489   45.949   19.232   35.003   15.801 10.94580 24.89050 
1 1 1   23   19   47 o  116.352   8.9192   39.513   5.5253   47.969   8.7693   33.946   7.1154  126.154   12.864  106.550   12.358 19.60391 17.83839 
1 1 1   23   20    0 o  109.345   11.595   32.917   6.8380   31.532   9.8311   34.216   9.5173  107.043   16.996  111.647   15.775 -4.603523 23.18914 
1 1 1   23   20    1 o  205.035   8.0404  113.395   8.8127  122.005   13.682  107.290   11.521  211.530   11.970  198.541   10.739 12.98874 16.08080 
1 1 1   23   20    2 o  325.929   7.2155  290.190   12.544  280.631   19.176  297.341   16.584  321.029   11.054  330.829   9.2767 -9.799988 14.43096 
1 1 1   23   20    3 o  211.876   8.3358  121.963   9.5208  116.847   12.932  128.018   14.068  207.076   11.557  216.675   12.016 -9.598602 16.67160 
1 1 1   23   20    4 o  303.847   7.9637  251.327   13.050  273.198   18.716  230.631   18.207  316.776   10.934  290.918   11.582 25.85812 15.92741 
1 1 1   23   20    5 o  209.845   8.6201  120.777   9.7125  134.167   13.596  106.824   13.880  221.922   11.338  197.768   12.988 24.15382 17.24012 
1 1 1   23   20    6 o  177.945   8.9483   86.604   8.5802   88.896   11.800   84.032   12.499  180.528   12.096  175.362   13.190 5.166245 17.89669 
1 1 1   23   20    7 o  189.209   8.4270   97.543   8.6070   95.518   11.859   99.797   12.512  187.164   11.726  191.253   12.106 -4.089020 16.85392 
1 1 1   23   20    8 o  435.508   8.9705  517.969   21.107  530.631   30.186  505.856   29.524  440.718   12.675  430.298   12.697 10.41974 17.94100 
1 1 1   23   20    9 o   50.951   14.145   1.8715   6.4674   9.8243   8.5848  -8.5653   9.8346   61.781   21.253   40.121   18.673 21.65994 28.29094 
1 1 1   23   20   10 o   73.478   15.134   15.267   6.6472   20.836   9.2576   9.3401   9.5503   84.839   20.436   62.116   22.328 22.72294 30.26868 
1 1 1   23   20   11 o  124.866   10.101   42.543   6.7828   40.180   9.0712   45.541   10.215  121.015   13.872  128.716   14.687 -7.700951 20.20220 
1 1 1   23   20   12 o  136.615   9.5654   51.582   6.9639   53.761   9.2395   48.716   10.596  140.176   12.198  133.055   14.738 7.121124 19.13088 
1 1 1   23   20   13 o  158.180   8.3140   69.425   6.9930   76.216   9.4125   61.059   10.447  167.146   10.421  149.213   12.957 17.93248 16.62809 
1 1 1   23   20   14 o   68.782   12.049   12.442   5.9805   25.676   7.9131  -5.1869   9.1330   96.455   15.182   41.110   18.713 55.34560 24.09715 
1 1 1   23   20   15 o   97.032   15.316   26.009   8.0304   0.0000   0.0000   26.009   8.0304  ?   ?    97.032   15.316      ?      ? 
1 1 1   23   20   16 o  119.537   13.163   39.266   8.5028   0.0000   0.0000   39.266   8.5028  ?   ?   119.537   13.163      ?      ? 
1 1 1   23   20   19 o  136.014   11.875   50.792   8.7278   0.0000   0.0000   50.792   8.7278  ?   ?   136.014   11.875      ?      ? 
1 1 1   23   20   20 o  148.516   21.816   63.153   17.508   0.0000   0.0000   63.153   17.508  ?   ?   148.516   21.816      ?      ? 
1 1 1   23   20   21 o  244.604   20.973  171.149   27.721   0.0000   0.0000  171.149   27.721  ?   ?   244.604   20.973      ?      ? 
1 1 1   23   20   22 o  202.423   23.497  119.189   25.702   0.0000   0.0000  119.189   25.702  ?   ?   202.423   23.497      ?      ? 
1 1 1   23   20   23 o  123.690   33.492   49.730   22.935   0.0000   0.0000   49.730   22.935  ?   ?   123.690   33.492      ?      ? 
1 1 1   23   20   24 o  173.514   13.965   83.762   13.094   0.0000   0.0000   83.762   13.094  ?   ?   173.514   13.965      ?      ? 
1 1 1   23   20   25 o   39.345   18.574 -10.3454   10.335   0.0000   0.0000 -10.3454   10.335  ?   ?    39.345   18.574      ?      ? 
1 1 1   23   20   26 o  150.323   14.554   63.386   11.822   0.0000   0.0000   63.386   11.822  ?   ?   150.323   14.554      ?      ? 
1 1 1   23   20   27 o  141.344   15.084   56.275   11.521   0.0000   0.0000   56.275   11.521  ?   ?   141.344   15.084      ?      ? 
1 1 1   23   20   28 o   57.606   17.651   9.6206   6.0132   0.0000   0.0000   9.6206   6.0132  ?   ?    57.606   17.651      ?      ? 
1 1 1   23   20   29 o   26.837   12.718  -5.5649   4.9340   0.0000   0.0000  -5.5649   4.9340  ?   ?    26.837   12.718      ?      ? 
1 1 1   23   20   30 o  145.359   7.5480   57.813   5.9287   0.0000   0.0000   57.813   5.9287  ?   ?   145.359   7.5480      ?      ? 
1 1 1   23   20   31 o   43.909   15.828   4.8130   4.8028   0.0000   0.0000   4.8130   4.8028  ?   ?    43.909   15.828      ?      ? 
1 1 1   23   20   32 o  159.538   7.0852   69.635   6.1081   0.0000   0.0000   69.635   6.1081  ?   ?   159.538   7.0852      ?      ? 
1 1 1   23   20   33 o   84.496   11.187   19.936   5.1080   0.0000   0.0000   19.936   5.1080  ?   ?    84.496   11.187      ?      ? 
1 1 1   23   20   34 o  147.193   7.3229   59.434   5.8244   0.0000   0.0000   59.434   5.8244  ?   ?   147.193   7.3229      ?      ? 
1 1 1   23   20   35 o   70.100   13.144   14.349   4.7960   0.0000   0.0000   14.349   4.7960  ?   ?    70.100   13.144      ?      ? 
1 1 1   23   20   36 o  185.273   6.3047   93.845   6.3120   0.0000   0.0000   93.845   6.3120  ?   ?   185.273   6.3047      ?      ? 
1 1 1   23   20   37 o  144.855   7.2111   57.673   5.6444   0.0000   0.0000   57.673   5.6444  ?   ?   144.855   7.2111      ?      ? 
1 1 1   23   20   38 o  146.099   9.4368   59.475   7.4500   0.0000   0.0000   59.475   7.4500  ?   ?   146.099   9.4368      ?      ? 
1 1 1   23   20   39 o   24.666   11.705  -4.6362   4.2071   0.0000   0.0000  -4.6362   4.2071  ?   ?    24.666   11.705      ?      ? 
1 1 1   23   20   40 o  149.089   6.7859   61.298   5.4669   0.0000   0.0000   61.298   5.4669  ?   ?   149.089   6.7859      ?      ? 
1 1 1   23   20   41 o  110.939   8.7820   34.329   5.2646   0.0000   0.0000   34.329   5.2646  ?   ?   110.939   8.7820      ?      ? 
1 1 1   23   20   42 f  110.478   12.934   36.014   6.4251   41.622   13.221   34.281   7.3515  111.746   22.671  109.210   12.457 2.536720 25.86792 
1 1 1   23   20   43 o   54.198   16.736   2.8430   9.3460  -5.3964   12.021   15.432   14.860   43.155   20.267   65.242   26.638 -22.08686 33.47138 
1 1 1   23   20   44 o   49.071   15.189   2.7935   8.2989   10.097   10.613  -8.6982   13.313   55.854   22.622   42.288   20.275 13.56549 30.37761 
1 1 1   23   20   45 o  150.505   11.962   71.299   9.5782   69.977   12.503   73.176   14.901  150.754   15.349  150.256   18.352 0.4979248 23.92481 
1 1 1   23   20   46 o  113.379   16.400   48.562   9.6404   47.883   12.357   49.617   15.409  117.742   19.423  109.017   26.432 8.724960 32.80043 
1 1 1   23   21    0 o   57.296   15.159   6.0792   6.6870   0.1809   9.5877   11.666   9.3313   48.420   20.686   66.173   22.165 -17.75290 30.31794 
1 1 1   23   21    1 o  260.111   9.4036  184.012   13.217   0.0000   0.0000  184.012   13.217  ?   ?   260.111   9.4036      ?      ? 
1 1 1   23   21    2 o   48.602   14.319   1.4425   6.2901   3.8279   9.0097  -0.8257   8.7855   52.071   20.929   45.132   19.546 6.938236 28.63706 
1 1 1   23   21    3 o  221.268   10.196  133.353   12.191   0.0000   0.0000  133.353   12.191  ?   ?   221.268   10.196      ?      ? 
1 1 1   23   21    4 o   92.818   13.162   24.733   6.3702   25.607   8.9385   23.831   9.0809   94.635   18.139   91.000   19.077 3.635307 26.32421 
1 1 1   23   21    5 o  198.475   7.2878  107.378   7.8140  108.074   10.945  106.655   11.159  199.153   10.171  197.796   10.441 1.356857 14.57557 
1 1 1   23   21    6 o  119.690   10.299   39.117   6.6358   35.196   8.9736   43.850   9.8576  113.102   14.683  126.279   14.446 -13.17702 20.59798 
1 1 1   23   21    7 o  155.201   8.6427   66.010   7.2396   68.560   10.139   63.357   10.340  158.323   11.851  152.080   12.583 6.243668 17.28530 
1 1 1   23   21    9 o   53.580   14.412   5.6752   5.8946   8.4017   8.0223   2.4759   8.6900   57.989   20.504   49.172   20.257 8.817665 28.82355 
1 1 1   23   21   11 o  223.791   6.8726  136.551   8.3109  136.271   11.771  136.829   11.736  223.557   9.7437  224.025   9.6948 -0.4674683 13.74515 
1 1 1   23   21   12 o  258.472   6.5429  181.765   9.1304  171.817   12.661  192.545   13.179  251.096   9.3313  265.849   9.1741 -14.75310 13.08575 
1 1 1   23   21   13 o  274.705   6.5363  203.717   9.4440  214.031   15.381  197.476   11.965  279.985   10.166  269.426   8.2183 10.55966 13.07270 
1 1 1   23   21   14 o   84.557   11.802   19.362   5.3087   33.311   8.2891   9.6614   6.9123  109.911   13.956   59.202   19.036 50.70943 23.60403 
1 1 1   23   21   15 o  206.831   7.9354  116.393   8.8690   0.0000   0.0000  116.393   8.8690  ?   ?   206.831   7.9354      ?      ? 
1 1 1   23   21   16 o  215.637   8.5022  126.718   9.9070   0.0000   0.0000  126.718   9.9070  ?   ?   215.637   8.5022      ?      ? 
1 1 1   23   21   17 o   39.745   17.713  -2.5032   7.7025   0.0000   0.0000  -2.5032   7.7025  ?   ?    39.745   17.713      ?      ? 
1 1 1   23   21   18 o  146.555   17.466   60.412   13.832   0.0000   0.0000   60.412   13.832  ?   ?   146.555   17.466      ?      ? 
1 1 1   23   21   19 o   98.385   12.180   26.692   6.4753   0.0000   0.0000   26.692   6.4753  ?   ?    98.385   12.180      ?      ? 
1 1 1   23   21   20 o  158.971   8.2360   68.947   7.0749   0.0000   0.0000   68.947   7.0749  ?   ?   158.971   8.2360      ?      ? 
1 1 1   23   21   21 o  152.363   8.4030   63.388   6.9184   0.0000   0.0000   63.388   6.9184  ?   ?   152.363   8.4030      ?      ? 
1 1 1   23   21   22 o   34.046   15.254  -2.2261   5.7930   0.0000   0.0000  -2.2261   5.7930  ?   ?    34.046   15.254      ?      ? 
1 1 1   23   21   23 o  177.556   8.5592   86.271   8.2121   0.0000   0.0000   86.271   8.2121  ?   ?   177.556   8.5592      ?      ? 
1 1 1   23   21   24 o  206.319   8.2083  116.442   9.1513   0.0000   0.0000  116.442   9.1513  ?   ?   206.319   8.2083      ?      ? 
1 1 1   23   21   25 o  186.765   7.2218   95.180   7.2884   0.0000   0.0000   95.180   7.2884  ?   ?   186.765   7.2218      ?      ? 
1 1 1   23   21   26 o  116.158   9.7741   37.167   6.1350   0.0000   0.0000   37.167   6.1350  ?   ?   116.158   9.7741      ?      ? 
1 1 1   23   21   27 o   88.122   17.354   23.008   7.9698   0.0000   0.0000   23.008   7.9698  ?   ?    88.122   17.354      ?      ? 
1 1 1   23   21   28 o  126.432   16.278   45.752   11.121   0.0000   0.0000   45.752   11.121  ?   ?   126.432   16.278      ?      ? 
1 1 1   23   21   29 o   60.994   23.182   9.3704   10.553   0.0000   0.0000   9.3704   10.553  ?   ?    60.994   23.182      ?      ? 
1 1 1   23   21   30 o   49.974   21.302   2.0996   10.126   0.0000   0.0000   2.0996   10.126  ?   ?    49.974   21.302      ?      ? 
1 1 1   23   21   31 o   59.098   22.907   8.5600   10.445   0.0000   0.0000   8.5600   10.445  ?   ?    59.098   22.907      ?      ? 
1 1 1   23   21   32 o  160.777   14.594   74.082   12.679   0.0000   0.0000   74.082   12.679  ?   ?   160.777   14.594      ?      ? 
1 1 1   23   21   33 o   78.242   24.905   20.061   11.855   0.0000   0.0000   20.061   11.855  ?   ?    78.242   24.905      ?      ? 
1 1 1   23   21   34 o   60.087   24.046   8.4439   11.837   0.0000   0.0000   8.4439   11.837  ?   ?    60.087   24.046      ?      ? 
1 1 1   23   21   35 o   92.675   23.497   28.282   11.783   0.0000   0.0000   28.282   11.783  ?   ?    92.675   23.497      ?      ? 
1 1 1   23   21   36 o   97.268   23.328   31.354   12.103   0.0000   0.0000   31.354   12.103  ?   ?    97.268   23.328      ?      ? 
1 1 1   23   21   37 o  131.064   17.540   51.652   12.422   0.0000   0.0000   51.652   12.422  ?   ?   131.064   17.540      ?      ? 
1 1 1   23   21   38 o   73.296   25.021   19.027   11.893   0.0000   0.0000   19.027   11.893  ?   ?    73.296   25.021      ?      ? 
1 1 1   23   21   39 o  153.874   15.820   70.870   13.154   0.0000   0.0000   70.870   13.154  ?   ?   153.874   15.820      ?      ? 
1 1 1   23   21   40 o   62.518   24.436   11.579   11.962   0.0000   0.0000   11.579   11.962  ?   ?    62.518   24.436      ?      ? 
1 1 1   23   21   41 o   53.198   22.853   4.9524   11.818   0.0000   0.0000   4.9524   11.818  ?   ?    53.198   22.853      ?      ? 
1 1 1   23   21   42 o  113.667   14.042   44.361   8.4137   44.437   11.520   44.275   12.318  115.680   18.429  111.654   21.191 4.026215 28.08341 
1 1 1   23   21   43 o  103.582   15.911   42.980   9.0457   55.045   11.417   22.635   14.826  133.391   15.839   73.773   27.599 59.61897 31.82129 
1 1 1   23   21   44 o  190.974   8.1414  108.083   7.7775  104.932   13.674  109.590   9.4562  185.759   13.622  196.189   8.9197 -10.42992 16.28272 
1 1 1   23   22    0 o  164.233   11.762   73.826   10.438   73.826   10.438   0.0000   0.0000  164.233   11.762  ?   ?       ?      ? 
1 1 1   23   22    1 o  140.414   13.837   54.235   10.499   0.0000   0.0000   54.235   10.499  ?   ?   140.414   13.837      ?      ? 
1 1 1   23   22    2 o   96.776   13.529   27.028   6.8233   28.022   9.6357   26.029   9.6635   98.705   18.751   94.847   19.506 3.858604 27.05746 
1 1 1   23   22    3 o  225.212   7.1306  138.184   8.6605  141.321   12.711  135.466   11.832  227.539   10.338  222.885   9.8242 4.653641 14.26119 
1 1 1   23   22    4 o   74.869   15.334   16.049   6.5704   13.862   8.9396   18.618   9.6896   69.880   21.540   79.859   21.830 -9.978722 30.66751 
1 1 1   23   22    5 o   94.283   13.234   25.521   6.5908   35.798   9.5604   16.213   9.0984  113.764   15.552   74.803   21.418 38.96118 26.46852 
1 1 1   23   22    6 o   38.303   12.345  -6.7922   5.9520  -0.3379   8.1649 -14.1116   8.6949   43.923   18.933   32.683   15.846 11.24055 24.68902 
1 1 1   23   22    7 o  108.702   11.117   32.524   6.5098   29.593   8.8299   36.014   9.6352  103.355   15.810  114.049   15.634 -10.69374 22.23492 
1 1 1   23   22    8 o  129.162   9.6539   46.121   6.6950   47.808   9.0796   44.111   9.9114  131.918   12.737  126.406   14.510 5.512886 19.30771 
1 1 1   23   22    9 o   93.246   13.064   25.619   6.3866   33.058   8.8146   17.397   9.2662  109.327   14.921   77.165   21.449 32.16254 26.12819 
1 1 1   23   22   10 o  115.790   10.340   36.948   6.4564   34.048   8.8535   40.241   9.4359  110.929   14.770  120.651   14.473 -9.722832 20.67912 
1 1 1   23   22   11 o  151.187   8.4059   62.834   6.8505   63.792   9.4092   61.755   9.9934  152.508   11.417  149.866   12.340 2.642471 16.81189 
1 1 1   23   22   12 o  334.521   6.9229  306.039   12.109  305.405   19.776  306.419   15.317  333.748   10.965  335.295   8.4538 -1.546539 13.84580 
1 1 1   23   22   13 o  133.973   8.5318   48.756   6.0044   52.162   9.8439   46.737   7.5771  137.393   13.259  130.553   10.741 6.840225 17.06360 
1 1 1   23   22   14 o  147.731   8.8773   59.590   7.0866   0.0000   0.0000   59.590   7.0866  ?   ?   147.731   8.8773      ?      ? 
1 1 1   23   22   15 o  208.766   8.6305  118.964   9.7360   0.0000   0.0000  118.964   9.7360  ?   ?   208.766   8.6305      ?      ? 
1 1 1   23   22   16 o   45.171   17.889   3.4427   6.4855   0.0000   0.0000   3.4427   6.4855  ?   ?    45.171   17.889      ?      ? 
1 1 1   23   22   17 o  205.672   9.6723  115.856   10.750   0.0000   0.0000  115.856   10.750  ?   ?   205.672   9.6723      ?      ? 
1 1 1   23   22   18 o   61.899   18.240   11.104   6.5143   0.0000   0.0000   11.104   6.5143  ?   ?    61.899   18.240      ?      ? 
1 1 1   23   22   19 o   56.606   17.920   9.0681   6.1439   0.0000   0.0000   9.0681   6.1439  ?   ?    56.606   17.920      ?      ? 
1 1 1   23   22   20 o  132.810   9.4587   48.406   6.7882   0.0000   0.0000   48.406   6.7882  ?   ?   132.810   9.4587      ?      ? 
1 1 1   23   22   21 o  109.658   10.753   33.182   6.3720   0.0000   0.0000   33.182   6.3720  ?   ?   109.658   10.753      ?      ? 
1 1 1   23   22   22 o  138.885   9.3905   52.984   7.0474   0.0000   0.0000   52.984   7.0474  ?   ?   138.885   9.3905      ?      ? 
1 1 1   23   22   23 o   37.467   16.132   0.0118   5.9143   0.0000   0.0000   0.0118   5.9143  ?   ?    37.467   16.132      ?      ? 
1 1 1   23   22   24 o   49.839   17.581   6.5170   5.8946   0.0000   0.0000   6.5170   5.8946  ?   ?    49.839   17.581      ?      ? 
1 1 1   23   22   25 o   53.724   17.091   8.2708   5.5834   0.0000   0.0000   8.2708   5.5834  ?   ?    53.724   17.091      ?      ? 
1 1 1   23   22   26 o   45.521   16.916   4.8941   5.5513   0.0000   0.0000   4.8941   5.5513  ?   ?    45.521   16.916      ?      ? 
1 1 1   23   22   27 o  113.889   9.8401   35.866   6.0558   0.0000   0.0000   35.866   6.0558  ?   ?   113.889   9.8401      ?      ? 
1 1 1   23   22   28 o  149.695   8.1901   61.592   6.6249   0.0000   0.0000   61.592   6.6249  ?   ?   149.695   8.1901      ?      ? 
1 1 1   23   22   29 o  169.603   7.4640   78.897   6.8405   0.0000   0.0000   78.897   6.8405  ?   ?   169.603   7.4640      ?      ? 
1 1 1   23   22   30 o   47.133   16.845   5.8592   5.4279   0.0000   0.0000   5.8592   5.4279  ?   ?    47.133   16.845      ?      ? 
1 1 1   23   22   31 o  162.384   7.3281   72.388   6.4302   0.0000   0.0000   72.388   6.4302  ?   ?   162.384   7.3281      ?      ? 
1 1 1   23   22   32 o  111.159   9.4205   34.269   5.6586   0.0000   0.0000   34.269   5.6586  ?   ?   111.159   9.4205      ?      ? 
1 1 1   23   22   33 o  166.922   7.5480   76.678   6.8082   0.0000   0.0000   76.678   6.8082  ?   ?   166.922   7.5480      ?      ? 
1 1 1   23   22   34 o   83.133   11.969   19.612   5.3770   0.0000   0.0000   19.612   5.3770  ?   ?    83.133   11.969      ?      ? 
1 1 1   23   22   35 o   70.155   14.222   14.694   5.2069   0.0000   0.0000   14.694   5.2069  ?   ?    70.155   14.222      ?      ? 
1 1 1   23   22   36 o   96.134   10.584   26.177   5.4980   0.0000   0.0000   26.177   5.4980  ?   ?    96.134   10.584      ?      ? 
1 1 1   23   22   37 o   31.841   14.370  -1.7612   5.2473   0.0000   0.0000  -1.7612   5.2473  ?   ?    31.841   14.370      ?      ? 
1 1 1   23   22   38 o   76.790   14.216   17.669   5.6817   0.0000   0.0000   17.669   5.6817  ?   ?    76.790   14.216      ?      ? 
1 1 1   23   22   39 o   23.429   11.564 -10.6894   5.2949   0.0000   0.0000 -10.6894   5.2949  ?   ?    23.429   11.564      ?      ? 
1 1 1   23   22   40 o  148.051   8.1043   61.676   6.4836   0.0000   0.0000   61.676   6.4836  ?   ?   148.051   8.1043      ?      ? 
1 1 1   23   22   41 o  150.567   7.3927   63.291   6.0148   0.0000   0.0000   63.291   6.0148  ?   ?   150.567   7.3927      ?      ? 
1 1 1   23   22   42 o  116.603   8.6091   38.398   5.4245   0.0000   0.0000   38.398   5.4245  ?   ?   116.603   8.6091      ?      ? 
1 1 1   23   22   43 o   99.222   10.363   25.990   4.7789   41.892   10.465   21.801   5.3716  112.794   17.171   85.650   11.606 27.14439 20.72513 
1 1 1   23   23    1 o  174.003   8.2173   83.038   7.7253   83.002   10.837   83.075   11.016  173.985   11.527  174.020   11.715 -0.3453064E-01 16.43463 
1 1 1   23   23    2 o  115.929   11.614   37.434   7.2720   36.119   10.289   38.748   10.280  113.829   16.727  118.030   16.118 -4.200325 23.22862 
1 1 1   23   23    3 o  150.364   9.1618   62.275   7.4439   61.999   10.551   62.549   10.503  150.019   13.016  150.710   12.897 -0.6909790 18.32357 
1 1 1   23   23    4 o  191.133   11.211  100.176   11.579   0.0000   0.0000  100.176   11.579  ?   ?   191.133   11.211      ?      ? 
1 1 1   23   23    5 o   53.895   14.411   5.4104   6.1069   10.419   8.3586  -0.3241   8.9442   62.048   20.977   45.741   19.766 16.30651 28.82206 
1 1 1   23   23    6 f   58.118   15.313   7.8174   6.4525   8.7597   8.8730   6.7597   9.4001   59.436   21.501   56.801   21.809 2.634819 30.62509 
1 1 1   23   23    7 o  117.848   15.159   38.642   9.6534   0.0000   0.0000   38.642   9.6534  ?   ?   117.848   15.159      ?      ? 
1 1 1   23   23    8 o  243.105   6.8554  161.446   8.9882  147.923   12.479  176.026   12.957  232.465   9.9341  253.745   9.4498 -21.27930 13.71075 
1 1 1   23   23    9 o   96.301   12.789   27.615   6.3641   35.231   8.7306   18.979   9.2964  112.629   14.345   79.973   21.177 32.65617 25.57867 
1 1 1   23   23   10 o  117.712   10.413   38.765   6.5814   41.155   9.0145   36.036   9.6312  121.851   13.691  113.573   15.693 8.277901 20.82593 
1 1 1   23   23   11 o   82.375   12.891   20.932   6.1535   32.719   8.3354   6.8146   9.1223  108.511   14.216   56.239   21.510 52.27179 25.78286 
1 1 1   23   23   12 o  231.430   6.4551  145.896   7.7195  148.356   13.018  144.562   9.5868  232.533   10.361  230.327   7.7026 2.205399 12.91021 
1 1 1   23   23   13 o  136.205   8.0905   48.236   5.7810   67.748   9.5053   36.782   7.2826  156.893   11.212  115.517   11.667 41.37663 16.18090 
1 1 1   23   23   14 o  125.052   10.573   42.980   7.1446   0.0000   0.0000   42.980   7.1446  ?   ?   125.052   10.573      ?      ? 
1 1 1   23   23   15 o   88.966   13.875   22.055   6.6705   0.0000   0.0000   22.055   6.6705  ?   ?    88.966   13.875      ?      ? 
1 1 1   23   23   16 o  118.488   11.131   38.746   7.1270   0.0000   0.0000   38.746   7.1270  ?   ?   118.488   11.131      ?      ? 
1 1 1   23   23   17 o  145.712   11.981   58.862   9.4332   0.0000   0.0000   58.862   9.4332  ?   ?   145.712   11.981      ?      ? 
1 1 1   23   23   18 o  161.480   10.831   71.990   9.4506   0.0000   0.0000   71.990   9.4506  ?   ?   161.480   10.831      ?      ? 
1 1 1   23   23   19 o   57.812   18.475   9.5599   6.5185   0.0000   0.0000   9.5599   6.5185  ?   ?    57.812   18.475      ?      ? 
1 1 1   23   23   20 o   67.685   17.512   13.623   6.4539   0.0000   0.0000   13.623   6.4539  ?   ?    67.685   17.512      ?      ? 
1 1 1   23   23   21 o   83.845   15.630   20.542   6.8210   0.0000   0.0000   20.542   6.8210  ?   ?    83.845   15.630      ?      ? 
1 1 1   23   23   22 o  117.974   10.463   38.519   6.6700   0.0000   0.0000   38.519   6.6700  ?   ?   117.974   10.463      ?      ? 
1 1 1   23   23   23 o   56.708   17.832   9.3414   6.0924   0.0000   0.0000   9.3414   6.0924  ?   ?    56.708   17.832      ?      ? 
1 1 1   23   23   24 o   74.208   15.511   16.236   6.0195   0.0000   0.0000   16.236   6.0195  ?   ?    74.208   15.511      ?      ? 
1 1 1   23   23   25 o   40.097   16.478   2.0628   5.7319   0.0000   0.0000   2.0628   5.7319  ?   ?    40.097   16.478      ?      ? 
1 1 1   23   23   26 o   37.956   16.134   0.7777   5.7799   0.0000   0.0000   0.7777   5.7799  ?   ?    37.956   16.134      ?      ? 
1 1 1   23   23   27 o  115.290   10.354   36.990   6.4502   0.0000   0.0000   36.990   6.4502  ?   ?   115.290   10.354      ?      ? 
1 1 1   23   23   28 o  107.757   10.481   32.391   6.1031   0.0000   0.0000   32.391   6.1031  ?   ?   107.757   10.481      ?      ? 
1 1 1   23   23   29 o   27.479   13.058  -5.9524   5.2694   0.0000   0.0000  -5.9524   5.2694  ?   ?    27.479   13.058      ?      ? 
1 1 1   23   23   30 o   66.465   15.663   13.276   5.5331   0.0000   0.0000   13.276   5.5331  ?   ?    66.465   15.663      ?      ? 
1 1 1   23   23   31 o  114.925   9.8834   36.851   6.1378   0.0000   0.0000   36.851   6.1378  ?   ?   114.925   9.8834      ?      ? 
1 1 1   23   23   32 o  113.886   9.7974   36.225   6.0293   0.0000   0.0000   36.225   6.0293  ?   ?   113.886   9.7974      ?      ? 
1 1 1   23   23   33 o   32.409   14.594  -1.8368   5.3784   0.0000   0.0000  -1.8368   5.3784  ?   ?    32.409   14.594      ?      ? 
1 1 1   23   23   34 o   83.670   12.670   20.235   5.7283   0.0000   0.0000   20.235   5.7283  ?   ?    83.670   12.670      ?      ? 
1 1 1   23   23   35 o   63.331   16.288   12.522   5.6056   0.0000   0.0000   12.522   5.6056  ?   ?    63.331   16.288      ?      ? 
1 1 1   23   23   36 o   39.845   16.429   2.4174   5.7223   0.0000   0.0000   2.4174   5.7223  ?   ?    39.845   16.429      ?      ? 
1 1 1   23   23   37 o   51.185   17.353   7.8183   5.7201   0.0000   0.0000   7.8183   5.7201  ?   ?    51.185   17.353      ?      ? 
1 1 1   23   23   38 o   32.430   14.657  -1.4276   5.4817   0.0000   0.0000  -1.4276   5.4817  ?   ?    32.430   14.657      ?      ? 
1 1 1   23   23   39 o   38.748   16.097   2.6876   5.5510   0.0000   0.0000   2.6876   5.5510  ?   ?    38.748   16.097      ?      ? 
1 1 1   23   23   40 o   96.953   10.588   27.062   5.5468   0.0000   0.0000   27.062   5.5468  ?   ?    96.953   10.588      ?      ? 
1 1 1   23   23   41 o   38.280   15.777   2.9510   5.2740   0.0000   0.0000   2.9510   5.2740  ?   ?    38.280   15.777      ?      ? 
1 1 1   23   24    0 o  221.204   10.423  134.198   12.459   0.0000   0.0000  134.198   12.459  ?   ?   221.204   10.423      ?      ? 
1 1 1   23   24    1 o  203.287   10.984  113.534   12.066   0.0000   0.0000  113.534   12.066  ?   ?   203.287   10.984      ?      ? 
1 1 1   23   24    3 o   96.163   13.760   26.981   7.0122   31.015   9.8154   22.776   10.021  104.938   17.310   87.387   21.394 17.55095 27.51960 
1 1 1   23   24    4 o   71.400   14.800   13.874   6.9283   24.452   9.7398   3.0382   9.8575   90.863   20.343   51.938   21.503 38.92537 29.60093 
1 1 1   23   24    5 o  157.986   8.9084   68.999   7.5925   63.977   10.655   74.179   10.822  152.039   12.969  163.934   12.216 -11.89476 17.81680 
1 1 1   23   24    6 o   54.347   13.216   1.7113   6.3844   16.797   8.7661 -15.3299   9.3168   75.254   20.842   33.441   16.257 41.81300 26.43253 
1 1 1   23   24    7 o   80.666   14.095   19.200   6.0956   17.696   8.2625   20.996   9.0294   77.266   19.723   84.067   20.141 -6.800346 28.18947 
1 1 1   23   24    8 o   50.289   14.432   3.4905   6.1616   1.5375   8.5861   5.5642   8.8475   47.017   19.808   53.561   20.994 -6.544464 28.86346 
1 1 1   23   24    9 o  161.682   8.6838   72.301   7.5771   71.979   10.446   72.659   11.007  161.393   11.978  161.970   12.576 -0.5765076 17.36751 
1 1 1   23   24   10 o  176.381   7.8407   85.853   7.4512   87.051   10.201   84.482   10.910  177.849   10.615  174.913   11.543 2.935928 15.68146 
1 1 1   23   24   11 o  229.283   6.6946  138.380   7.8022  161.531   14.018  127.989   9.3913  242.120   10.714  216.446   8.0295 25.67415 13.38914 
1 1 1   23   24   12 o   45.815   13.362   2.4170   5.3976  -0.4784   8.4914   4.3801   6.9919   43.924   19.119   47.705   18.672 -3.781441 26.72476 
1 1 1   23   24   13 o   78.401   16.265   17.987   6.6649   0.0000   0.0000   17.987   6.6649  ?   ?    78.401   16.265      ?      ? 
1 1 1   23   24   14 o   50.503   18.522   6.2107   6.6177   0.0000   0.0000   6.2107   6.6177  ?   ?    50.503   18.522      ?      ? 
1 1 1   23   24   15 o  130.272   9.9953   46.734   7.0362   0.0000   0.0000   46.734   7.0362  ?   ?   130.272   9.9953      ?      ? 
1 1 1   23   24   16 o  139.220   9.7972   53.379   7.3704   0.0000   0.0000   53.379   7.3704  ?   ?   139.220   9.7972      ?      ? 
1 1 1   23   24   17 o   74.883   17.181   16.674   6.8044   0.0000   0.0000   16.674   6.8044  ?   ?    74.883   17.181      ?      ? 
1 1 1   23   24   18 o   60.991   20.579   10.646   8.0446   0.0000   0.0000   10.646   8.0446  ?   ?    60.991   20.579      ?      ? 
1 1 1   23   24   19 o   55.527   20.451   7.8595   8.0801   0.0000   0.0000   7.8595   8.0801  ?   ?    55.527   20.451      ?      ? 
1 1 1   23   24   20 o   51.270   18.311   6.8797   6.4133   0.0000   0.0000   6.8797   6.4133  ?   ?    51.270   18.311      ?      ? 
1 1 1   23   24   21 o   54.147   18.206   8.2628   6.2958   0.0000   0.0000   8.2628   6.2958  ?   ?    54.147   18.206      ?      ? 
1 1 1   23   24   22 o   98.670   12.352   27.324   6.5860   0.0000   0.0000   27.324   6.5860  ?   ?    98.670   12.352      ?      ? 
1 1 1   23   24   23 o  171.061   8.0606   80.425   7.4508   0.0000   0.0000   80.425   7.4508  ?   ?   171.061   8.0606      ?      ? 
1 1 1   23   24   24 o   56.136   17.703   9.3040   6.0006   0.0000   0.0000   9.3040   6.0006  ?   ?    56.136   17.703      ?      ? 
1 1 1   23   24   25 o   40.600   16.685   2.2620   5.8771   0.0000   0.0000   2.2620   5.8771  ?   ?    40.600   16.685      ?      ? 
1 1 1   23   24   26 o  124.333   9.6911   42.940   6.5110   0.0000   0.0000   42.940   6.5110  ?   ?   124.333   9.6911      ?      ? 
1 1 1   23   24   27 o   95.510   11.933   25.692   6.1588   0.0000   0.0000   25.692   6.1588  ?   ?    95.510   11.933      ?      ? 
1 1 1   23   24   28 o   39.815   16.498   1.9864   5.8102   0.0000   0.0000   1.9864   5.8102  ?   ?    39.815   16.498      ?      ? 
1 1 1   23   24   29 o  121.967   9.6541   41.488   6.3627   0.0000   0.0000   41.488   6.3627  ?   ?   121.967   9.6541      ?      ? 
1 1 1   23   24   30 o   57.076   17.575   9.9290   5.9532   0.0000   0.0000   9.9290   5.9532  ?   ?    57.076   17.575      ?      ? 
1 1 1   23   24   31 o  127.987   9.6125   45.836   6.6480   0.0000   0.0000   45.836   6.6480  ?   ?   127.987   9.6125      ?      ? 
1 1 1   23   24   32 o   60.083   17.232   11.399   5.8853   0.0000   0.0000   11.399   5.8853  ?   ?    60.083   17.232      ?      ? 
1 1 1   23   24   33 o   64.049   17.009   12.902   5.9859   0.0000   0.0000   12.902   5.9859  ?   ?    64.049   17.009      ?      ? 
1 1 1   23   24   34 o   56.767   19.385   9.8859   7.1392   0.0000   0.0000   9.8859   7.1392  ?   ?    56.767   19.385      ?      ? 
1 1 1   23   24   35 o   38.089   16.290   1.0907   5.9580   0.0000   0.0000   1.0907   5.9580  ?   ?    38.089   16.290      ?      ? 
1 1 1   23   24   36 o   32.623   14.837  -1.7997   5.7260   0.0000   0.0000  -1.7997   5.7260  ?   ?    32.623   14.837      ?      ? 
1 1 1   23   24   37 o   37.280   15.892   1.7247   5.6365   0.0000   0.0000   1.7247   5.6365  ?   ?    37.280   15.892      ?      ? 
1 1 1   23   24   38 o   95.505   11.376   26.499   5.8708   0.0000   0.0000   26.499   5.8708  ?   ?    95.505   11.376      ?      ? 
1 1 1   23   24   39 o   25.606   12.450  -7.7505   5.4708   0.0000   0.0000  -7.7505   5.4708  ?   ?    25.606   12.450      ?      ? 
1 1 1   23   25    0 o   99.686   14.064   29.519   7.3028   28.639   10.558   30.325   10.112   97.929   20.604  101.443   19.149 -3.513992 28.12868 
1 1 1   23   25    1 f   42.405   13.337  -4.3723   6.4986   2.3898   9.0077 -11.7122   9.3847   48.961   20.436   35.849   17.144 13.11125 26.67435 
1 1 1   23   25    2 o  108.550   12.689   33.543   7.0296   22.140   9.3537   48.341   10.656   85.884   20.449  131.215   15.028 -45.33101 25.37725 
1 1 1   23   25    3 o  167.778   8.5340   77.769   7.7201   74.587   10.504   81.508   11.385  164.135   11.843  171.422   12.291 -7.287292 17.06802 
1 1 1   23   25    4 o   50.886   14.788   3.4777   6.5308   2.9626   9.1584   4.0106   9.3156   49.987   20.713   51.785   21.112 -1.798252 29.57594 
1 1 1   23   25    5 o  106.875   12.699   33.187   6.9952   23.914   9.6035   43.668   10.210   89.199   20.371  124.551   15.170 -35.35225 25.39896 
1 1 1   23   25    6 o  143.090   13.584   57.200   10.503   0.0000   0.0000   57.200   10.503  ?   ?   143.090   13.584      ?      ? 
1 1 1   23   25    7 o  135.739   13.527   51.474   9.9220   51.474   9.9220   0.0000   0.0000  135.739   13.527  ?   ?       ?      ? 
1 1 1   23   25    8 o  119.397   15.284   40.205   9.8608   0.0000   0.0000   40.205   9.8608  ?   ?   119.397   15.284      ?      ? 
1 1 1   23   25    9 o  132.225   14.122   49.035   10.090   0.0000   0.0000   49.035   10.090  ?   ?   132.225   14.122      ?      ? 
1 1 1   23   25   10 o  149.043   8.1653   59.137   6.4017   72.545   10.648   51.548   8.0112  161.525   12.199  136.561   10.856 24.96466 16.33055 
1 1 1   23   25   11 o  188.883   7.0421   95.308   6.8818  108.784   11.854   88.457   8.4521  198.204   11.067  179.562   8.7109 18.64287 14.08429 
1 1 1   23   25   12 o   96.054   13.945   25.956   7.2380   0.0000   0.0000   25.956   7.2380  ?   ?    96.054   13.945      ?      ? 
1 1 1   23   25   13 o  114.417   11.023   36.311   6.8151   0.0000   0.0000   36.311   6.8151  ?   ?   114.417   11.023      ?      ? 
1 1 1   23   25   14 o   69.026   18.131   14.307   6.8503   0.0000   0.0000   14.307   6.8503  ?   ?    69.026   18.131      ?      ? 
1 1 1   23   25   15 o   84.368   15.730   20.847   6.9074   0.0000   0.0000   20.847   6.9074  ?   ?    84.368   15.730      ?      ? 
1 1 1   23   25   16 o   47.302   18.128   4.9047   6.4871   0.0000   0.0000   4.9047   6.4871  ?   ?    47.302   18.128      ?      ? 
1 1 1   23   25   17 o  146.262   10.229   59.246   8.0846   0.0000   0.0000   59.246   8.0846  ?   ?   146.262   10.229      ?      ? 
1 1 1   23   25   18 o   56.474   18.625   9.1989   6.5955   0.0000   0.0000   9.1989   6.5955  ?   ?    56.474   18.625      ?      ? 
1 1 1   23   25   19 o   76.938   20.404   18.357   8.6217   0.0000   0.0000   18.357   8.6217  ?   ?    76.938   20.404      ?      ? 
1 1 1   23   25   20 f  195.374   8.3397  105.076   8.8045   0.0000   0.0000  105.076   8.8045  ?   ?   195.374   8.3397      ?      ? 
1 1 1   23   25   21 o   45.043   17.799   4.0075   6.4072   0.0000   0.0000   4.0075   6.4072  ?   ?    45.043   17.799      ?      ? 
1 1 1   23   25   22 o  145.065   9.4886   58.368   7.4380   0.0000   0.0000   58.368   7.4380  ?   ?   145.065   9.4886      ?      ? 
1 1 1   23   25   23 o   93.175   12.889   24.622   6.4894   0.0000   0.0000   24.622   6.4894  ?   ?    93.175   12.889      ?      ? 
1 1 1   23   25   24 o   97.188   12.436   26.695   6.5310   0.0000   0.0000   26.695   6.5310  ?   ?    97.188   12.436      ?      ? 
1 1 1   23   25   25 o   66.942   17.005   13.677   6.1632   0.0000   0.0000   13.677   6.1632  ?   ?    66.942   17.005      ?      ? 
1 1 1   23   25   26 o  146.085   8.9023   59.222   7.0274   0.0000   0.0000   59.222   7.0274  ?   ?   146.085   8.9023      ?      ? 
1 1 1   23   25   27 o  140.730   9.0645   55.054   6.8932   0.0000   0.0000   55.054   6.8932  ?   ?   140.730   9.0645      ?      ? 
1 1 1   23   25   28 o  105.082   11.496   31.280   6.5275   0.0000   0.0000   31.280   6.5275  ?   ?   105.082   11.496      ?      ? 
1 1 1   23   25   29 o  112.260   10.951   35.786   6.6429   0.0000   0.0000   35.786   6.6429  ?   ?   112.260   10.951      ?      ? 
1 1 1   23   25   30 o   35.535   15.950  -1.4344   6.3647   0.0000   0.0000  -1.4344   6.3647  ?   ?    35.535   15.950      ?      ? 
1 1 1   23   25   31 o   98.134   12.522   27.731   6.6401   0.0000   0.0000   27.731   6.6401  ?   ?    98.134   12.522      ?      ? 
1 1 1   23   25   32 f  247.699   8.7104  170.886   11.659   0.0000   0.0000  170.886   11.659  ?   ?   247.699   8.7104      ?      ? 
1 1 1   23   25   33 o   92.873   13.519   25.270   6.7847   0.0000   0.0000   25.270   6.7847  ?   ?    92.873   13.519      ?      ? 
1 1 1   23   25   34 o   71.976   16.913   17.080   6.4666   0.0000   0.0000   17.080   6.4666  ?   ?    71.976   16.913      ?      ? 
1 1 1   23   25   35 o   34.932   15.623  -0.6556   6.0477   0.0000   0.0000  -0.6556   6.0477  ?   ?    34.932   15.623      ?      ? 
1 1 1   23   25   36 o   42.613   16.775   4.4703   5.6711   0.0000   0.0000   4.4703   5.6711  ?   ?    42.613   16.775      ?      ? 
1 1 1   23   25   37 o  133.601   8.9760   51.015   6.4801   0.0000   0.0000   51.015   6.4801  ?   ?   133.601   8.9760      ?      ? 
1 1 1   23   26    0 o   47.471   20.248   1.2495   9.1587   1.2495   9.1587   0.0000   0.0000   47.471   20.248  ?   ?       ?      ? 
1 1 1   23   26    1 o   48.629   14.477   1.9419   6.5564   4.4045   8.8514  -1.0517   9.7591   51.205   20.687   46.054   20.259 5.151188 28.95484 
1 1 1   23   26    2 o  103.403   13.760   32.369   7.3883   43.848   10.480   21.025   10.418  124.310   15.601   82.496   22.670 41.81471 27.51964 
1 1 1   23   26    3 o  164.312   8.7053   75.231   7.7273   73.874   10.778   76.667   11.085  162.812   12.251  165.811   12.371 -2.999435 17.41064 
1 1 1   23   26    4 o   90.729   14.220   24.901   6.7668   24.516   9.1557   25.364   10.045   90.263   19.352   91.194   20.840 -0.9314575 28.44015 
1 1 1   23   26    5 o  140.769   9.8534   55.794   7.4830   55.826   10.301   55.759   10.889  140.977   13.522  140.561   14.336 0.4162750 19.70674 
1 1 1   23   26    6 o   49.998   14.503   3.6714   6.2610   3.0927   8.6553   4.3067   9.0677   48.714   20.157   51.282   20.859 -2.567818 29.00678 
1 1 1   23   26    7 o   58.111   15.289   8.5321   6.3900   7.9751   8.6011   9.2182   9.5464   56.447   21.040   59.774   22.189 -3.326874 30.57831 
1 1 1   23   26    8 o  112.018   11.623   36.173   6.8021   29.779   9.3306   43.425   9.9373  100.266   17.877  123.770   14.858 -23.50360 23.24539 
1 1 1   23   26    9 o   81.464   14.173   21.050   6.3069   25.586   8.2488   14.667   9.7854   93.134   17.018   69.793   22.670 23.34097 28.34639 
1 1 1   23   26   10 o   47.715   13.805   3.0388   5.5982   5.4504   8.7420   1.3623   7.2887   52.361   20.758   43.068   18.203 9.292709 27.60925 
1 1 1   23   26   11 o   86.627   12.470   22.522   5.6810   18.941   8.5075   25.403   7.6319   78.708   19.971   94.546   14.938 -15.83812 24.93945 
1 1 1   23   26   12 o   61.948   18.376   11.463   6.5940   0.0000   0.0000   11.463   6.5940  ?   ?    61.948   18.376      ?      ? 
1 1 1   23   26   13 o  149.553   9.5612   61.804   7.7268   0.0000   0.0000   61.804   7.7268  ?   ?   149.553   9.5612      ?      ? 
1 1 1   23   26   14 o  150.424   9.1949   62.465   7.4740   0.0000   0.0000   62.465   7.4740  ?   ?   150.424   9.1949      ?      ? 
1 1 1   23   26   15 o   46.009   18.353   3.9469   6.8726   0.0000   0.0000   3.9469   6.8726  ?   ?    46.009   18.353      ?      ? 
1 1 1   23   26   16 o   45.326   18.050   3.8700   6.6369   0.0000   0.0000   3.8700   6.6369  ?   ?    45.326   18.050      ?      ? 
1 1 1   23   26   17 o  123.403   11.090   42.577   7.3954   0.0000   0.0000   42.577   7.3954  ?   ?   123.403   11.090      ?      ? 
1 1 1   23   26   18 o   55.978   18.705   9.1443   6.6456   0.0000   0.0000   9.1443   6.6456  ?   ?    55.978   18.705      ?      ? 
1 1 1   23   26   19 o   68.137   20.494   14.475   8.1598   0.0000   0.0000   14.475   8.1598  ?   ?    68.137   20.494      ?      ? 
1 1 1   23   26   20 o  112.709   14.486   36.462   8.8223   0.0000   0.0000   36.462   8.8223  ?   ?   112.709   14.486      ?      ? 
1 1 1   23   26   21 f   78.552   16.772   18.643   6.9025   0.0000   0.0000   18.643   6.9025  ?   ?    78.552   16.772      ?      ? 
1 1 1   23   26   22 o   84.464   15.534   21.285   6.8286   0.0000   0.0000   21.285   6.8286  ?   ?    84.464   15.534      ?      ? 
1 1 1   23   26   23 o   64.490   18.208   12.930   6.6233   0.0000   0.0000   12.930   6.6233  ?   ?    64.490   18.208      ?      ? 
1 1 1   23   26   24 o  109.190   11.515   33.714   6.7944   0.0000   0.0000   33.714   6.7944  ?   ?   109.190   11.515      ?      ? 
1 1 1   23   26   25 o   60.496   18.440   11.372   6.5740   0.0000   0.0000   11.372   6.5740  ?   ?    60.496   18.440      ?      ? 
1 1 1   23   26   26 o   97.498   13.040   27.517   6.8703   0.0000   0.0000   27.517   6.8703  ?   ?    97.498   13.040      ?      ? 
1 1 1   23   26   27 o   42.565   17.383   3.3455   6.3296   0.0000   0.0000   3.3455   6.3296  ?   ?    42.565   17.383      ?      ? 
1 1 1   23   26   28 o   59.033   18.713   11.001   6.6979   0.0000   0.0000   11.001   6.6979  ?   ?    59.033   18.713      ?      ? 
1 1 1   23   26   29 o   70.928   17.203   15.749   6.5256   0.0000   0.0000   15.749   6.5256  ?   ?    70.928   17.203      ?      ? 
1 1 1   23   26   30 o   83.485   15.687   21.279   6.8170   0.0000   0.0000   21.279   6.8170  ?   ?    83.485   15.687      ?      ? 
1 1 1   23   26   31 o  119.837   10.670   41.246   6.9096   0.0000   0.0000   41.246   6.9096  ?   ?   119.837   10.670      ?      ? 
1 1 1   23   26   32 o   30.251   14.348  -5.3285   6.3040   0.0000   0.0000  -5.3285   6.3040  ?   ?    30.251   14.348      ?      ? 
1 1 1   23   26   33 o   35.164   15.823  -1.1210   6.3091   0.0000   0.0000  -1.1210   6.3091  ?   ?    35.164   15.823      ?      ? 
1 1 1   23   26   34 o   55.647   18.361   10.343   6.4102   0.0000   0.0000   10.343   6.4102  ?   ?    55.647   18.361      ?      ? 
1 1 1   23   26   35 o   64.797   17.633   14.453   6.3386   0.0000   0.0000   14.453   6.3386  ?   ?    64.797   17.633      ?      ? 
1 1 1   23   27    0 o  107.673   24.890   42.492   16.987   34.685   26.113   48.221   22.368   98.783   36.692  116.563   33.642 -17.77991 49.78059 
1 1 1   23   27    1 o  113.134   12.248   37.040   7.4647   37.458   10.216   36.561   10.934  114.137   16.564  112.131   18.046 2.006317 24.49499 
1 1 1   23   27    2 o   44.517   13.759  -0.7476   6.3951   2.4812   8.4908  -4.9805   9.7217   47.336   19.806   41.698   19.105 5.637871 27.51848 
1 1 1   23   27    3 o   92.971   13.500   25.053   6.8944   11.220   9.1181   43.519   10.535   62.669   21.883  123.273   15.815 -60.60431 27.00004 
1 1 1   23   27    4 f  129.806   10.270   48.291   7.1225   54.669   9.8993   41.446   10.256  139.346   13.147  120.265   15.781 19.08178 20.53987 
1 1 1   23   27    5 o   65.557   15.503   12.342   6.5886   8.4122   8.9991   16.883   9.6727   57.396   21.496   73.719   22.345 -16.32279 31.00645 
1 1 1   23   27    6 o   91.182   14.147   25.840   6.7798   29.283   9.2189   21.785   10.006   99.005   17.890   83.358   21.921 15.64651 28.29477 
1 1 1   23   27    7 o   64.593   15.753   12.272   6.6706   12.282   9.3090   12.261   9.5633   64.535   22.135   64.651   22.420 -0.1161118 31.50610 
1 1 1   23   27    8 o   67.642   15.193   13.604   6.7352   20.222   9.2681   6.1987   9.8046   80.486   21.065   54.797   21.901 25.68919 30.38687 
1 1 1   23   27    9 o   40.678   12.847  -1.8300   5.5364  -0.7586   9.2107  -2.4361   6.9275   44.555   19.638   36.800   16.568 7.755459 25.69354 
1 1 1   23   27   10 o  116.694   9.9743   36.365   6.0816   49.595   10.317   29.321   7.5287  131.776   14.489  101.611   13.712 30.16557 19.94855 
1 1 1   23   27   11 o   88.520   16.391   23.319   7.5516   0.0000   0.0000   23.319   7.5516  ?   ?    88.520   16.391      ?      ? 
1 1 1   23   27   12 o   30.914   14.810  -8.8190   7.0733   0.0000   0.0000  -8.8190   7.0733  ?   ?    30.914   14.810      ?      ? 
1 1 1   23   27   13 o   90.322   13.782   23.272   6.7265   0.0000   0.0000   23.272   6.7265  ?   ?    90.322   13.782      ?      ? 
1 1 1   23   27   14 o   76.132   17.880   17.738   7.2302   0.0000   0.0000   17.738   7.2302  ?   ?    76.132   17.880      ?      ? 
1 1 1   23   27   15 o   67.563   19.054   14.110   7.2576   0.0000   0.0000   14.110   7.2576  ?   ?    67.563   19.054      ?      ? 
1 1 1   23   27   16 o   67.150   18.498   13.873   6.9263   0.0000   0.0000   13.873   6.9263  ?   ?    67.150   18.498      ?      ? 
1 1 1   23   27   17 o  178.391   9.3520   88.270   9.0150   0.0000   0.0000   88.270   9.0150  ?   ?   178.391   9.3520      ?      ? 
1 1 1   23   27   18 o  161.948   9.9588   73.138   8.7151   0.0000   0.0000   73.138   8.7151  ?   ?   161.948   9.9588      ?      ? 
1 1 1   23   27   19 o   30.952   14.666  -6.6517   6.5549   0.0000   0.0000  -6.6517   6.5549  ?   ?    30.952   14.666      ?      ? 
1 1 1   23   27   20 o   37.147   17.038  -3.7728   7.7600   0.0000   0.0000  -3.7728   7.7600  ?   ?    37.147   17.038      ?      ? 
1 1 1   23   27   21 o   81.519   17.056   20.376   7.2717   0.0000   0.0000   20.376   7.2717  ?   ?    81.519   17.056      ?      ? 
1 1 1   23   27   22 o   40.470   17.209   1.4812   6.5791   0.0000   0.0000   1.4812   6.5791  ?   ?    40.470   17.209      ?      ? 
1 1 1   23   27   23 o   78.711   16.296   19.177   6.7029   0.0000   0.0000   19.177   6.7029  ?   ?    78.711   16.296      ?      ? 
1 1 1   23   27   24 o   38.332   16.801   0.1103   6.6577   0.0000   0.0000   0.1103   6.6577  ?   ?    38.332   16.801      ?      ? 
1 1 1   23   27   25 o  120.263   11.202   41.151   7.2800   0.0000   0.0000   41.151   7.2800  ?   ?   120.263   11.202      ?      ? 
1 1 1   23   27   26 o  105.117   12.855   31.869   7.3018   0.0000   0.0000   31.869   7.3018  ?   ?   105.117   12.855      ?      ? 
1 1 1   23   27   27 o   47.264   18.556   5.2870   6.9223   0.0000   0.0000   5.2870   6.9223  ?   ?    47.264   18.556      ?      ? 
1 1 1   23   27   28 o   48.263   18.434   6.4009   6.6939   0.0000   0.0000   6.4009   6.6939  ?   ?    48.263   18.434      ?      ? 
1 1 1   23   27   29 o  128.584   10.256   47.832   7.1261   0.0000   0.0000   47.832   7.1261  ?   ?   128.584   10.256      ?      ? 
1 1 1   23   27   30 o   24.520   12.203 -13.9846   6.3689   0.0000   0.0000 -13.9846   6.3689  ?   ?    24.520   12.203      ?      ? 
1 1 1   23   27   31 o   71.420   17.407   16.737   6.6568   0.0000   0.0000   16.737   6.6568  ?   ?    71.420   17.407      ?      ? 
1 1 1   23   27   32 o   99.638   12.551   29.779   6.7574   0.0000   0.0000   29.779   6.7574  ?   ?    99.638   12.551      ?      ? 
1 1 1   23   28    0 o   46.251   15.896 -13.2045   8.3449 -14.8844   9.1448  -4.8423   20.403   32.624   15.914   59.878   27.523 -27.25449 31.79289 
1 1 1   23   28    1 o   84.155   22.155   19.289   17.096 -23.6261   28.686   42.928   21.290   60.735   29.283  107.576   33.254 -46.84024 44.30928 
1 1 1   23   28    2 o   78.943   23.789   16.123   17.787   12.275   28.134   18.685   22.957   77.968   34.345   79.919   32.925 -1.950775 47.57789 
1 1 1   23   28    3 o   97.177   25.232   33.629   16.889   48.739   28.154   25.135   21.108  108.767   38.417   85.588   32.723 23.17897 50.46465 
1 1 1   23   28    4 o   70.698   20.862   11.576   10.263   12.052   28.201   11.503   11.018   77.562   34.265   63.834   23.810 13.72821 41.72483 
1 1 1   23   28    5 o   53.232   15.163   5.7067   6.7311   7.0974   9.2067   4.1097   9.8658   54.893   21.443   51.572   21.444 3.321568 30.32602 
1 1 1   23   28    6 o  109.795   12.127   35.386   7.1915   34.404   9.9923   36.441   10.358  108.251   17.082  111.339   17.217 -3.088097 24.25342 
1 1 1   23   28    7 o   68.956   15.413   14.214   6.6152   9.1541   8.8784   20.530   9.9185   57.891   21.417   80.021   22.173 -22.12962 30.82683 
1 1 1   23   28    8 o  105.371   10.830   30.542   6.0142   40.653   9.8689   24.568   7.5856  118.527   15.409   92.214   15.223 26.31270 21.66031 
1 1 1   23   28    9 o   48.259   13.807   3.3962   5.9681  -3.4887   9.3851   8.0706   7.7330   41.822   19.011   54.696   20.028 -12.87386 27.61433 
1 1 1   23   28   10 o   43.335   12.590  -4.1667   5.4503   9.9865   8.6476 -13.4938   7.0201   59.209   21.251   27.461   13.508 31.74859 25.18040 
1 1 1   23   28   11 o   57.932   19.267   9.9357   7.0528   0.0000   0.0000   9.9357   7.0528  ?   ?    57.932   19.267      ?      ? 
1 1 1   23   28   12 o   76.036   17.343   17.645   6.9678   0.0000   0.0000   17.645   6.9678  ?   ?    76.036   17.343      ?      ? 
1 1 1   23   28   13 o   47.148   18.777   4.5444   7.1831   0.0000   0.0000   4.5444   7.1831  ?   ?    47.148   18.777      ?      ? 
1 1 1   23   28   14 o   48.272   18.789   5.3731   7.0497   0.0000   0.0000   5.3731   7.0497  ?   ?    48.272   18.789      ?      ? 
1 1 1   23   28   15 o   43.557   18.231   2.4306   7.1975   0.0000   0.0000   2.4306   7.1975  ?   ?    43.557   18.231      ?      ? 
1 1 1   23   28   16 o   34.001   15.675  -3.9218   6.6861   0.0000   0.0000  -3.9218   6.6861  ?   ?    34.001   15.675      ?      ? 
1 1 1   23   28   17 o   58.797   19.096   10.620   6.9435   0.0000   0.0000   10.620   6.9435  ?   ?    58.797   19.096      ?      ? 
1 1 1   23   28   18 o  142.604   10.326   57.256   7.9568   0.0000   0.0000   57.256   7.9568  ?   ?   142.604   10.326      ?      ? 
1 1 1   23   28   19 o   51.268   19.218   7.3043   7.1959   0.0000   0.0000   7.3043   7.1959  ?   ?    51.268   19.218      ?      ? 
1 1 1   23   28   20 o   53.279   19.539   8.3251   7.3638   0.0000   0.0000   8.3251   7.3638  ?   ?    53.279   19.539      ?      ? 
1 1 1   23   28   21 o   59.114   21.790   10.707   9.1752   0.0000   0.0000   10.707   9.1752  ?   ?    59.114   21.790      ?      ? 
1 1 1   23   28   22 o   51.788   19.511   7.3329   7.4350   0.0000   0.0000   7.3329   7.4350  ?   ?    51.788   19.511      ?      ? 
1 1 1   23   28   23 o  117.720   11.541   39.472   7.3417   0.0000   0.0000   39.472   7.3417  ?   ?   117.720   11.541      ?      ? 
1 1 1   23   28   24 o   54.885   19.143   9.1922   6.9767   0.0000   0.0000   9.1922   6.9767  ?   ?    54.885   19.143      ?      ? 
1 1 1   23   28   25 o   31.956   15.009  -4.8251   6.5957   0.0000   0.0000  -4.8251   6.5957  ?   ?    31.956   15.009      ?      ? 
1 1 1   23   28   26 o   77.076   16.832   19.594   6.8139   0.0000   0.0000   19.594   6.8139  ?   ?    77.076   16.832      ?      ? 
1 1 1   23   28   27 o   78.578   17.243   20.159   7.1207   0.0000   0.0000   20.159   7.1207  ?   ?    78.578   17.243      ?      ? 
1 1 1   23   28   28 o  222.100   8.6795  139.129   10.417   0.0000   0.0000  139.129   10.417  ?   ?   222.100   8.6795      ?      ? 
1 1 1   23   28   29 o   64.618   18.542   14.470   6.8126   0.0000   0.0000   14.470   6.8126  ?   ?    64.618   18.542      ?      ? 
1 1 1   23   28   30 o  104.781   12.404   33.072   7.0233   0.0000   0.0000   33.072   7.0233  ?   ?   104.781   12.404      ?      ? 
1 1 1   23   29    0 o   83.866   14.279   23.457   7.3465   35.049   9.6669   7.6096   11.303  109.521   16.334   58.210   23.426 51.31120 28.55842 
1 1 1   23   29    1 o  102.478   13.902   32.155   7.3748   29.647   9.7985   35.433   11.201   98.115   19.169  106.841   20.139 -8.726006 27.80354 
1 1 1   23   29    2 o  152.900   10.011   67.520   8.1885   70.947   11.039   63.327   12.210  157.986   12.930  147.814   15.287 10.17238 20.02216 
1 1 1   23   29    3 o   38.294   12.685  -8.9841   6.9194  -1.8988   8.9873 -19.2972   10.843   42.367   18.989   34.222   16.825 8.145554 25.37049 
1 1 1   23   29    4 o   72.794   20.363   11.513   8.8142   8.5619   9.5113   29.459   23.456   57.220   21.945   88.368   34.307 -31.14811 40.72568 
1 1 1   23   29    5 o  109.802   25.911   50.029   17.968   57.432   27.030   44.167   24.052  115.920   37.679  103.684   35.579 12.23669 51.82199 
1 1 1   23   29    6 o   71.398   22.435  -0.0306   17.136   32.523   28.846 -17.7815   21.301   89.832   36.946   52.965   25.460 36.86770 44.86908 
1 1 1   23   29    7 o   72.173   22.915   8.7100   18.125   15.027   29.127   4.7185   23.153   77.293   34.447   67.054   30.230 10.23859 45.83057 
1 1 1   23   29    8 o   32.701   16.191 -21.3398   10.673   0.0000   0.0000 -21.3398   10.673  ?   ?    32.701   16.191      ?      ? 
1 1 1   23   29    9 o   50.246   14.748   3.7474   6.3922   7.4009   10.543   1.6241   8.0379   56.295   22.636   44.197   18.913 12.09831 29.49685 
1 1 1   23   29   10 o   66.066   19.974   13.806   7.7360   0.0000   0.0000   13.806   7.7360  ?   ?    66.066   19.974      ?      ? 
1 1 1   23   29   11 o   64.083   20.011   12.951   7.6876   0.0000   0.0000   12.951   7.6876  ?   ?    64.083   20.011      ?      ? 
1 1 1   23   29   12 o  162.021   9.7622   73.482   8.5469   0.0000   0.0000   73.482   8.5469  ?   ?   162.021   9.7622      ?      ? 
1 1 1   23   29   13 o  104.537   14.410   32.036   8.1402   0.0000   0.0000   32.036   8.1402  ?   ?   104.537   14.410      ?      ? 
1 1 1   23   29   14 o  109.352   13.346   34.832   7.8859   0.0000   0.0000   34.832   7.8859  ?   ?   109.352   13.346      ?      ? 
1 1 1   23   29   15 o   61.449   20.108   12.231   7.6933   0.0000   0.0000   12.231   7.6933  ?   ?    61.449   20.108      ?      ? 
1 1 1   23   29   16 o   43.112   18.290   2.2710   7.4021   0.0000   0.0000   2.2710   7.4021  ?   ?    43.112   18.290      ?      ? 
1 1 1   23   29   17 o   29.525   14.335 -10.4969   7.1860   0.0000   0.0000 -10.4969   7.1860  ?   ?    29.525   14.335      ?      ? 
1 1 1   23   29   18 o  144.327   10.108   58.639   7.8832   0.0000   0.0000   58.639   7.8832  ?   ?   144.327   10.108      ?      ? 
1 1 1   23   29   19 o   76.070   18.136   18.307   7.3499   0.0000   0.0000   18.307   7.3499  ?   ?    76.070   18.136      ?      ? 
1 1 1   23   29   20 o   35.741   16.347  -2.9384   7.0754   0.0000   0.0000  -2.9384   7.0754  ?   ?    35.741   16.347      ?      ? 
1 1 1   23   29   21 f   45.572   19.419   3.2705   8.4093   0.0000   0.0000   3.2705   8.4093  ?   ?    45.572   19.419      ?      ? 
1 1 1   23   29   22 o   50.817   20.731   7.3881   8.9904   0.0000   0.0000   7.3881   8.9904  ?   ?    50.817   20.731      ?      ? 
1 1 1   23   29   23 o   34.716   15.975  -2.5075   6.8980   0.0000   0.0000  -2.5075   6.8980  ?   ?    34.716   15.975      ?      ? 
1 1 1   23   29   24 o   37.288   16.707  -0.6941   6.9507   0.0000   0.0000  -0.6941   6.9507  ?   ?    37.288   16.707      ?      ? 
1 1 1   23   29   25 o  106.756   12.583   33.753   7.2589   0.0000   0.0000   33.753   7.2589  ?   ?   106.756   12.583      ?      ? 
1 1 1   23   29   26 o   40.227   17.306   2.3353   6.7951   0.0000   0.0000   2.3353   6.7951  ?   ?    40.227   17.306      ?      ? 
1 1 1   23   30    0 o   60.398   16.280   9.9136   7.3545   6.8446   9.6676   14.130   11.331   54.126   21.706   66.669   24.269 -12.54301 32.56025 
1 1 1   23   30    1 o  111.824   13.487   39.459   7.7496   43.558   10.313   34.141   11.746  121.432   15.716  102.216   21.923 19.21677 26.97438 
1 1 1   23   30    2 o  117.436   13.535   43.953   8.0610   49.657   10.656   36.323   12.325  129.921   15.179  104.950   22.413 24.97102 27.06954 
1 1 1   23   30    3 o  169.213   14.119   83.478   12.910   0.0000   0.0000   83.478   12.910  ?   ?   169.213   14.119      ?      ? 
1 1 1   23   30    4 o   59.972   16.159   10.525   7.4631   13.798   9.8149   6.0389   11.491   65.110   22.706   54.834   22.999 10.27590 32.31860 
1 1 1   23   30    5 o   64.183   16.400   13.373   7.4743   16.326   9.8381   9.3418   11.495   69.553   22.737   58.813   23.639 10.74017 32.79960 
1 1 1   23   30    6 o   65.537   16.500   13.897   7.2104   12.197   9.2030   16.599   11.603   61.674   21.945   69.400   24.647 -7.725372 33.00080 
1 1 1   23   30    7 o   78.947   14.807   20.624   6.5186   26.194   9.5847   15.831   8.8917   89.262   20.326   68.633   21.536 20.62880 29.61353 
1 1 1   23   30    8 o   49.474   15.081   2.5915   7.2405  -0.3764   9.3931   6.9372   11.366   43.746   19.524   55.202   22.991 -11.45594 30.16224 
1 1 1   23   30    9 o   56.400   23.284   7.6979   11.511   0.0000   0.0000   7.6979   11.511  ?   ?    56.400   23.284      ?      ? 
1 1 1   23   30   10 o   78.586   23.747   21.537   10.937   0.0000   0.0000   21.537   10.937  ?   ?    78.586   23.747      ?      ? 
1 1 1   23   30   11 o   28.732   14.484 -29.5422   10.455   0.0000   0.0000 -29.5422   10.455  ?   ?    28.732   14.484      ?      ? 
1 1 1   23   30   12 o   41.206   19.322  -6.9014   10.857   0.0000   0.0000  -6.9014   10.857  ?   ?    41.206   19.322      ?      ? 
1 1 1   23   30   13 f  230.638   11.983  152.120   14.934   0.0000   0.0000  152.120   14.934  ?   ?   230.638   11.983      ?      ? 
1 1 1   23   30   14 o  157.294   11.811   70.686   10.039   0.0000   0.0000   70.686   10.039  ?   ?   157.294   11.811      ?      ? 
1 1 1   23   30   15 o   30.176   14.613 -10.0900   7.3375   0.0000   0.0000 -10.0900   7.3375  ?   ?    30.176   14.613      ?      ? 
1 1 1   23   30   16 o   40.606   17.786   0.7095   7.4512   0.0000   0.0000   0.7095   7.4512  ?   ?    40.606   17.786      ?      ? 
1 1 1   23   30   17 o  115.608   12.750   39.755   7.9652   0.0000   0.0000   39.755   7.9652  ?   ?   115.608   12.750      ?      ? 
1 1 1   23   30   18 o   48.049   19.087   6.6202   7.4047   0.0000   0.0000   6.6202   7.4047  ?   ?    48.049   19.087      ?      ? 
1 1 1   23   30   19 o   93.829   15.172   27.195   7.6924   0.0000   0.0000   27.195   7.6924  ?   ?    93.829   15.172      ?      ? 
1 1 1   23   30   20 o   45.266   18.584   4.5150   7.2823   0.0000   0.0000   4.5150   7.2823  ?   ?    45.266   18.584      ?      ? 
1 1 1   23   30   21 f   58.346   19.647   11.551   7.3319   0.0000   0.0000   11.551   7.3319  ?   ?    58.346   19.647      ?      ? 
1 1 1   23   30   22 o   80.068   20.847   23.270   9.1083   0.0000   0.0000   23.270   9.1083  ?   ?    80.068   20.847      ?      ? 
1 1 1   23   30   23 o   98.107   14.847   30.268   7.8709   0.0000   0.0000   30.268   7.8709  ?   ?    98.107   14.847      ?      ? 
1 1 1   23   31    0 o   45.859   14.623  -1.2804   7.6095  -0.9457   10.093  -1.7213   11.583   44.854   20.112   46.864   21.232 -2.009827 29.24530 
1 1 1   23   31    1 o   54.745   15.994   6.4900   7.6454   5.4796   10.218   7.7750   11.523   52.480   21.823   57.011   23.388 -4.531166 31.98858 
1 1 1   23   31    2 f   95.905   15.873   30.757   7.9740   30.600   10.320   30.989   12.561   97.350   20.277   94.460   24.427 2.889595 31.74629 
1 1 1   23   31    3 o   34.982   17.277 -21.4382   11.880   0.0000   0.0000 -21.4382   11.880  ?   ?    34.982   17.277      ?      ? 
1 1 1   23   31    4 o   78.103   24.912   21.383   11.856   0.0000   0.0000   21.383   11.856  ?   ?    78.103   24.912      ?      ? 
1 1 1   23   31    5 o  122.841   18.577   46.514   12.331   0.0000   0.0000   46.514   12.331  ?   ?   122.841   18.577      ?      ? 
1 1 1   23   31    6 o   46.931   14.218  -0.7430   6.7495   9.3041   10.456  -7.9209   8.8376   58.006   22.795   35.857   17.001 22.14972 28.43695 
1 1 1   23   31    7 f   60.994   15.853   11.638   6.9347   9.2275   10.403   13.565   9.3029   57.639   22.710   64.349   22.125 -6.710472 31.70556 
1 1 1   23   31    8 o   34.913   11.823  -9.6218   6.3851 -11.9887   9.1264  -7.3525   8.9363   33.517   16.247   36.309   17.181 -2.791611 23.64610 
1 1 1   23   31    9 o   81.278   18.362   21.416   7.8743   0.0000   0.0000   21.416   7.8743  ?   ?    81.278   18.362      ?      ? 
1 1 1   23   31   10 o   54.576   20.011   9.5170   7.7232   0.0000   0.0000   9.5170   7.7232  ?   ?    54.576   20.011      ?      ? 
1 1 1   23   31   11 o   46.962   19.386   5.3634   7.9783   0.0000   0.0000   5.3634   7.9783  ?   ?    46.962   19.386      ?      ? 
1 1 1   23   31   12 o  127.164   12.465   48.296   8.5650   0.0000   0.0000   48.296   8.5650  ?   ?   127.164   12.465      ?      ? 
1 1 1   23   31   13 o   88.728   24.394   30.742   12.059   0.0000   0.0000   30.742   12.059  ?   ?    88.728   24.394      ?      ? 
1 1 1   23   31   14 o   51.057   22.426   4.4938   11.917   0.0000   0.0000   4.4938   11.917  ?   ?    51.057   22.426      ?      ? 
1 1 1   23   31   15 o   75.285   25.673   22.370   12.521   0.0000   0.0000   22.370   12.521  ?   ?    75.285   25.673      ?      ? 
1 1 1   23   31   16 o   43.103   20.708 -10.0293   14.047   0.0000   0.0000 -10.0293   14.047  ?   ?    43.103   20.708      ?      ? 
1 1 1   23   31   17 o   54.781   24.638   6.6757   15.273   0.0000   0.0000   6.6757   15.273  ?   ?    54.781   24.638      ?      ? 
1 1 1   23   32    0 o   58.140   17.000   9.0649   8.9920   0.2905   11.716   21.642   14.027   45.909   21.011   70.371   26.730 -24.46134 33.99977 
1 1 1   23   32    1 o   56.431   16.821   10.123   8.6249   9.0383   11.136   11.750   13.635   54.328   22.703   58.534   24.827 -4.205906 33.64227 
1 1 1   23   32    2 o   76.490   18.096   22.770   8.7385   16.205   11.065   33.649   14.244   64.528   23.902   88.451   27.177 -23.92368 36.19234 
1 1 1   23   32    3 o   52.678   15.226   5.0139   8.3147   16.446   10.527 -13.9459   13.557   65.513   23.454   39.842   19.423 25.67059 30.45170 
1 1 1   23   32    4 o   72.483   17.941   19.203   8.4837   13.223   10.533   30.248   14.314   60.751   23.142   84.215   27.421 -23.46394 35.88171 
1 1 1   23   32    5 o   57.813   16.848   8.7029   8.0825   4.2635   9.8412   17.903   14.167   48.277   20.798   67.349   26.513 -19.07185 33.69671 
1 1 1   23   32    6 o   63.852   17.216   14.759   8.1046   15.128   9.9879   14.047   13.868   64.679   22.878   63.024   25.733 1.655209 34.43261 
1 1 1   23   32    7 o   37.948   12.741 -10.1896   7.6231  -0.6306   9.3405 -29.2568   13.192   42.327   19.131   33.570   16.834 8.757477 25.48277 
1 1 1   23   32    8 o   70.713   23.982   18.873   10.926   0.0000   0.0000   18.873   10.926  ?   ?    70.713   23.982      ?      ? 
1 1 1   23   32    9 o   58.834   23.095   11.734   10.722   0.0000   0.0000   11.734   10.722  ?   ?    58.834   23.095      ?      ? 
1 1 1   23   32   10 f   95.736   22.012   33.256   11.149   0.0000   0.0000   33.256   11.149  ?   ?    95.736   22.012      ?      ? 
1 1 1   23   32   11 o   83.364   23.241   26.914   10.862   0.0000   0.0000   26.914   10.862  ?   ?    83.364   23.241      ?      ? 
1 1 1   23   32   12 o   69.641   23.831   19.818   10.789   0.0000   0.0000   19.818   10.789  ?   ?    69.641   23.831      ?      ? 
1 1 1   23   32   13 o   58.195   22.815   12.798   10.451   0.0000   0.0000   12.798   10.451  ?   ?    58.195   22.815      ?      ? 
1 1 1   23   33    0 o   47.764   14.923   3.6810   7.8693   8.3714   10.143  -3.4110   12.472   52.047   21.701   43.481   20.489 8.566116 29.84571 
1 1 1   23   33    1 o   54.032   14.809   7.3919   7.7166   19.067   9.9296 -10.4116   12.262   69.190   22.854   38.875   18.840 30.31557 29.61849 
1 1 1   23   33    2 o   42.029   13.803  -1.8234   7.3180  -3.3453   9.3603   0.5695   11.737   38.607   18.052   45.451   20.885 -6.843758 27.60541 
1 1 1   24    0    0 o  1654.68   27.991  7461.71  353.484  7461.71  353.484  7461.71  353.484  1654.68   39.585  1654.68   39.585 0.000000 0.000000 
1 1 1   24    0    1 f  609.657   7.6993  1005.72   35.845  1005.72   35.845  1005.72   35.845  609.657   10.889  609.657   10.889 0.000000 0.000000 
1 1 1   24    0    2 f  496.198   6.5067  666.164   24.654  666.164   24.654  666.164   24.654  496.198   9.2019  496.198   9.2019 0.000000 0.000000 
1 1 1   24    0    3 o  282.427   4.7281  215.917   10.192  215.917   10.192  215.917   10.192  282.427   6.6866  282.427   6.6866 0.000000 0.000000 
1 1 1   24    0    4 o   70.343   9.9756   14.883   4.7559   14.883   4.7559   14.883   4.7559   70.343   14.108   70.343   14.108 0.000000 0.000000 
1 1 1   24    0    5 o  553.345   7.0961  828.487   29.985  828.487   29.985  828.487   29.985  553.345   10.035  553.345   10.035 0.000000 0.000000 
1 1 1   24    0    6 o  695.867   8.6282  1310.47   45.851  1310.47   45.851  1310.47   45.851  695.867   12.202  695.867   12.202 0.000000 0.000000 
1 1 1   24    0    7 o  656.199   8.2183  1165.29   41.182  1165.29   41.182  1165.29   41.182  656.199   11.622  656.199   11.622 0.000000 0.000000 
1 1 1   24    0    8 o  1219.35   14.626  4029.68  136.199  4029.68  136.199  4029.68  136.199  1219.35   20.684  1219.35   20.684 0.000000 0.000000 
1 1 1   24    0    9 o   84.582   8.1027   20.380   4.9665   20.380   4.9665   20.380   4.9665   84.582   11.459   84.582   11.459 0.000000 0.000000 
1 1 1   24    0   10 o  264.171   4.6331  188.946   9.3402  188.946   9.3402  188.946   9.3402  264.171   6.5522  264.171   6.5522 0.000000 0.000000 
1 1 1   24    0   11 o   85.527   7.5802   20.690   4.7435   20.690   4.7435   20.690   4.7435   85.527   10.720   85.527   10.720 0.000000 0.000000 
1 1 1   24    0   12 o  633.329   7.9855  1085.59   38.621  1085.59   38.621  1085.59   38.621  633.329   11.293  633.329   11.293 0.000000 0.000000 
1 1 1   24    0   13 o  918.853   11.169  2286.53   78.372  2286.53   78.372  2286.53   78.372  918.853   15.795  918.853   15.795 0.000000 0.000000 
1 1 1   24    0   15 o   48.012   13.843   8.7057   4.9937   8.7057   4.9937   8.7057   4.9937   48.012   19.577   48.012   19.577 0.000000 0.000000 
1 1 1   24    0   16 o  131.822   5.9365   47.541   5.9247   47.541   5.9247   47.541   5.9247  131.822   8.3955  131.822   8.3955 0.000000 0.000000 
1 1 1   24    0   17 o   81.835   9.8180   19.604   5.6093   19.604   5.6093   19.604   5.6093   81.835   13.885   81.835   13.885 0.000000 0.000000 
1 1 1   24    0   19 o  1154.28   13.868  3613.25  122.248  3613.25  122.248  3613.25  122.248  1154.28   19.612  1154.28   19.612 0.000000 0.000000 
1 1 1   24    0   24 o   57.736   11.941   11.058   4.5756   11.058   4.5756   11.058   4.5756   57.736   16.887   57.736   16.887 0.000000 0.000000 
1 1 1   24    0   25 o  568.333   7.2426  874.765   31.433  874.765   31.433  874.765   31.433  568.333   10.243  568.333   10.243 0.000000 0.000000 
1 1 1   24    0   26 o  823.004   10.072  1836.94   63.306  1836.94   63.306  1836.94   63.306  823.004   14.245  823.004   14.245 0.000000 0.000000 
1 1 1   24    0   27 o   37.955   13.435   5.7534   4.7644   5.7534   4.7644   5.7534   4.7644   37.955   19.000   37.955   19.000 0.000000 0.000000 
1 1 1   24    0   29 o  132.143   5.7484   47.775   5.7546   47.775   5.7546   47.775   5.7546  132.143   8.1294  132.143   8.1294 0.000000 0.000000 
1 1 1   24    0   31 o  142.144   5.6204   55.186   6.0615   55.186   6.0615   55.186   6.0615  142.144   7.9484  142.144   7.9484 0.000000 0.000000 
1 1 1   24    0   32 o   45.436   14.030   8.0619   5.0662   8.0619   5.0662   8.0619   5.0662   45.436   19.842   45.436   19.842 0.000000 0.000000 
1 1 1   24    0   35 o   31.133   13.030   2.9746   5.3515   2.9746   5.3515   2.9746   5.3515   31.133   18.427   31.133   18.427 0.000000 0.000000 
1 1 1   24    0   36 o   43.846   14.717   7.7437   5.6120   7.7437   5.6120   7.7437   5.6120   43.846   20.813   43.846   20.813 0.000000 0.000000 
1 1 1   24    0   37 o  408.251   5.6083  452.171   17.482  452.171   17.482  452.171   17.482  408.251   7.9314  408.251   7.9314 0.000000 0.000000 
1 1 1   24    0   38 o   17.699   8.5492  -2.2275   3.6194  -2.2275   3.6194  -2.2275   3.6194   17.699   12.090   17.699   12.090 0.000000 0.000000 
1 1 1   24    0   39 o   53.883   10.995   9.6513   3.9274   9.6513   3.9274   9.6513   3.9274   53.883   15.549   53.883   15.549 0.000000 0.000000 
1 1 1   24    0   40 o  239.499   4.4411  155.702   8.1155  155.702   8.1155  155.702   8.1155  239.499   6.2806  239.499   6.2806 0.000000 0.000000 
1 1 1   24    0   41 o   26.871   11.255   2.2375   3.9982   2.2375   3.9982   2.2375   3.9982   26.871   15.917   26.871   15.917 0.000000 0.000000 
1 1 1   24    0   42 o  302.656   4.7941  248.753   11.075  248.753   11.075  248.753   11.075  302.656   6.7798  302.656   6.7798 0.000000 0.000000 
1 1 1   24    0   43 o   67.636   9.4235   13.863   4.3323   13.863   4.3323   13.863   4.3323   67.636   13.327   67.636   13.327 0.000000 0.000000 
1 1 1   24    0   44 o   19.492   9.3146  -1.8435   4.0646  -1.8435   4.0646  -1.8435   4.0646   19.492   13.173   19.492   13.173 0.000000 0.000000 
1 1 1   24    0   45 o   73.044   8.4855   15.724   4.3523   15.724   4.3523   15.724   4.3523   73.044   12.000   73.044   12.000 0.000000 0.000000 
1 1 1   24    0   46 o  135.344   5.1359   50.211   5.2770   50.211   5.2770   50.211   5.2770  135.344   7.2632  135.344   7.2632 0.000000 0.000000 
1 1 1   24    0   47 o   43.484   13.133   7.4922   4.4501   7.4922   4.4501   7.4922   4.4501   43.484   18.573   43.484   18.573 0.000000 0.000000 
1 1 1   24    0   48 o   36.019   12.954   5.3899   4.4703   5.3899   4.4703   5.3899   4.4703   36.019   18.319   36.019   18.319 0.000000 0.000000 
1 1 1   24    0   49 o  158.556   5.0484   68.849   6.0888   68.849   6.0888   68.849   6.0888  158.556   7.1395  158.556   7.1395 0.000000 0.000000 
1 1 1   24    0   50 o   26.235   12.386  -1.7252   6.7998  -1.7252   6.7998  -1.7252   6.7998   26.235   17.517   26.235   17.517 0.000000 0.000000 
1 1 1   24    0   53 o   23.615   11.578  -5.1689   7.2484  -5.1689   7.2484  -5.1689   7.2484   23.615   16.374   23.615   16.374 0.000000 0.000000 
1 1 1   24    0   54 o   78.054   10.891   18.889   5.7766   18.889   5.7766   18.889   5.7766   78.054   15.402   78.054   15.402 0.000000 0.000000 
1 1 1   24    0   55 o   46.849   14.922   9.3471   5.7249   9.3471   5.7249   9.3471   5.7249   46.849   21.104   46.849   21.104 0.000000 0.000000 
1 1 1   24    0   56 o   91.988   9.4769   25.425   6.2492   25.425   6.2492   25.425   6.2492   91.988   13.402   91.988   13.402 0.000000 0.000000 
1 1 1   24    0   57 o   32.456   13.603   4.1157   5.8479   4.1157   5.8479   4.1157   5.8479   32.456   19.238   32.456   19.238 0.000000 0.000000 
1 1 1   24    1    0 o  918.729   13.659  2285.00   63.799  2278.95   77.940  2297.30  111.069  917.402   15.722  920.056   22.340 -2.653320 27.31807 
1 1 1   24    1    1 o  765.528   9.4075  1583.01   38.861  1535.04   53.277  1637.53   56.806  753.179   13.091  777.877   13.514 -24.69843 18.81493 
1 1 1   24    1    2 o  874.342   10.630  2069.69   50.224  2066.80   70.987  2072.58   71.068  873.732   15.035  874.952   15.032 -1.220825 21.26041 
1 1 1   24    1    3 o  219.603   4.5370  130.365   5.3831  128.332   7.6337  132.377   7.5922  217.899   6.4832  221.308   6.3486 -3.409470 9.073984 
1 1 1   24    1    4 o  635.294   7.9557  1091.72   27.311  1086.91   38.524  1096.58   38.723  633.887   11.247  636.700   11.255 -2.812744 15.91142 
1 1 1   24    1    5 o  704.567   8.7164  1343.17   33.185  1344.53   47.048  1341.82   46.814  704.920   12.351  704.214   12.302 0.7056274 17.43277 
1 1 1   24    1    6 o  610.222   7.6856  1007.14   25.341  997.927   35.572  1016.62   36.109  607.393   10.838  613.052   10.900 -5.659668 15.37115 
1 1 1   24    1    7 o  959.388   11.598  2493.03   60.116  2463.75   83.993  2523.78   86.080  953.631   16.300  965.145   16.505 -11.51392 23.19692 
1 1 1   24    1    8 o  644.210   8.0611  1122.29   28.052  1103.16   39.048  1142.68   40.324  638.548   11.317  649.872   11.483 -11.32483 16.12221 
1 1 1   24    1   10 o  502.722   9.2946  683.530   25.249   0.0000   0.0000  683.530   25.249  ?   ?   502.722   9.2946      ?      ? 
1 1 1   24    1   11 o  352.610   7.3815  336.151   14.065   0.0000   0.0000  336.151   14.065  ?   ?   352.610   7.3815      ?      ? 
1 1 1   24    1   12 o  145.862   5.2231   57.417   4.1097   52.845   5.6923   62.395   5.9395  139.805   7.5349  151.918   7.2352 -12.11255 10.44620 
1 1 1   24    1   13 o  744.708   12.985  1501.41   52.255   0.0000   0.0000  1501.41   52.255  ?   ?   744.708   12.985      ?      ? 
1 1 1   24    1   14 o  402.944   5.7063  438.977   12.422  441.130   17.770  436.919   17.372  403.907   8.1416  401.980   7.9975 1.926819 11.41250 
1 1 1   24    1   15 o  389.044   7.8907  409.262   16.588   0.0000   0.0000  409.262   16.588  ?   ?   389.044   7.8907      ?      ? 
1 1 1   24    1   18 o  808.646   14.087  1771.59   61.553  1771.59   61.553   0.0000   0.0000  808.646   14.087  ?   ?       ?      ? 
1 1 1   24    1   19 o  142.796   6.5800   58.037   4.8194   69.754   6.3636   42.278   7.3802  160.613   7.3323  124.979   10.928 35.63372 13.15991 
1 1 1   24    1   20 o  484.944   8.9136  636.270   23.358  636.270   23.358   0.0000   0.0000  484.944   8.9136  ?   ?       ?      ? 
1 1 1   24    1   21 o  588.456   10.491  937.463   33.360  937.463   33.360   0.0000   0.0000  588.456   10.491  ?   ?       ?      ? 
1 1 1   24    1   22 o  458.988   6.1072  569.802   15.144  584.294   21.623  555.849   21.218  464.716   8.6107  453.259   8.6629 11.45670 12.21432 
1 1 1   24    1   24 o  303.355   4.8068  248.970   7.8641  249.667   10.798  248.182   11.476  303.819   6.5771  302.891   7.0118 0.9275818 9.613672 
1 1 1   24    1   25 o  424.686   8.0929  488.150   18.572  488.150   18.572   0.0000   0.0000  424.686   8.0929  ?   ?       ?      ? 
1 1 1   24    1   26 o  164.917   6.4398   73.570   5.7389   73.570   5.7389   0.0000   0.0000  164.917   6.4398  ?   ?       ?      ? 
1 1 1   24    1   27 o  369.940   5.3580  370.531   10.706  374.713   14.977  366.162   15.310  372.086   7.4489  367.794   7.7035 4.292084 10.71590 
1 1 1   24    1   28 o   67.704   9.8372   13.144   3.4466   14.630   4.4300   10.865   5.4862   73.419   11.166   61.990   16.199 11.42845 19.67440 
1 1 1   24    1   29 o  563.721   7.2441  862.297   22.066  869.719   31.228  854.896   31.184  566.152   10.208  561.290   10.282 4.862671 14.48822 
1 1 1   24    1   30 o  355.983   7.3807  343.224   14.198  343.224   14.198   0.0000   0.0000  355.983   7.3807  ?   ?       ?      ? 
1 1 1   24    1   31 o  222.338   4.8300  133.529   5.7581  131.184   7.6501  136.594   8.7459  220.121   6.4316  224.555   7.2076 -4.433640 9.659987 
1 1 1   24    1   32 o  182.278   7.8028   90.089   7.6855   0.0000   0.0000   90.089   7.6855  ?   ?   182.278   7.8028      ?      ? 
1 1 1   24    1   33 o  121.930   6.4107   40.378   4.1085   40.372   5.2356   40.388   6.6283  121.993   7.9422  121.868   10.065 0.1247025 12.82142 
1 1 1   24    1   34 f  190.183   7.8548   98.124   8.0722   0.0000   0.0000   98.124   8.0722  ?   ?   190.183   7.8548      ?      ? 
1 1 1   24    1   36 o  180.568   8.1837   88.613   7.9851   0.0000   0.0000   88.613   7.9851  ?   ?   180.568   8.1837      ?      ? 
1 1 1   24    1   37 o  229.498   4.3047  142.706   5.3345  140.262   7.3816  145.377   7.7180  227.454   6.0058  231.542   6.1686 -4.088165 8.609340 
1 1 1   24    1   38 o  267.248   4.4933  193.683   6.4856  191.247   9.0060  196.307   9.3474  265.517   6.2770  268.979   6.4311 -3.462250 8.986660 
1 1 1   24    1   39 o  139.972   4.6750   53.124   3.5311   51.765   4.8448   54.665   5.1574  138.077   6.4933  141.867   6.7276 -3.789734 9.350059 
1 1 1   24    1   40 o  411.203   7.9813  460.738   17.734  460.738   17.734   0.0000   0.0000  411.203   7.9813  ?   ?       ?      ? 
1 1 1   24    1   41 o  145.669   4.6737   57.730   3.6708   58.329   5.0421   57.056   5.3546  146.505   6.3690  144.833   6.8417 1.672150 9.347405 
1 1 1   24    1   42 o   71.746   8.2139   14.494   3.0219   10.197   4.1502   19.344   4.4087   59.502   13.248   83.991   9.7139 -24.48900 16.42785 
1 1 1   24    1   43 o  370.779   5.3554  375.209   10.727  371.703   14.959  378.919   15.389  369.033   7.5017  372.525   7.6450 -3.492310 10.71085 
1 1 1   24    1   44 f  120.130   5.3764   39.336   3.4856   37.671   4.7841   41.221   5.0887  117.437   7.5389  122.823   7.6672 -5.386658 10.75274 
1 1 1   24    1   45 o  204.375   4.4890  113.856   4.9564  116.918   7.0206  110.814   6.9983  207.135   6.2723  201.614   6.4237 5.521515 8.978088 
1 1 1   24    1   46 o   49.106   10.519   6.9186   3.0466   7.7721   4.2939   6.0533   4.3234   51.655   14.687   46.556   15.064 5.099049 21.03880 
1 1 1   24    1   47 o  157.342   4.8748   67.688   4.1445   66.886   5.8396   68.502   5.8832  156.398   6.9097  158.285   6.8784 -1.886658 9.749691 
1 1 1   24    1   48 o  106.492   7.2979   30.959   4.0844   34.032   6.7197   29.159   5.1436  110.309   11.273  102.674   9.2708 7.635551 14.59571 
1 1 1   24    1   49 o   50.708   12.617   6.8122   4.4431   9.6892   6.2022   3.7793   6.3680   56.991   18.001   44.425   17.684 12.56542 25.23392 
1 1 1   24    1   50 o  177.936   6.8281   87.490   6.5441   78.716   8.9185   97.725   9.6322  168.245   9.8099  187.627   9.5004 -19.38269 13.65621 
1 1 1   24    1   51 o   95.321   8.9335   26.454   4.3152   27.678   5.3457   24.167   7.3108   99.510   9.9415   91.133   14.846 8.376617 17.86694 
1 1 1   24    1   52 f  139.835   7.0422   53.683   4.9930   51.606   6.0429   58.153   8.8638  136.478   8.1939  143.192   11.456 -6.713181 14.08439 
1 1 1   24    1   53 f  172.511   7.6094   84.578   7.0901   87.883   10.070   81.329   9.9842  175.988   10.589  169.034   10.931 6.954285 15.21881 
1 1 1   24    1   54 o  207.145   10.294   85.222   8.1507   30.608   9.2242  279.730   17.408   99.176   17.869  315.115   10.223 -215.9381 20.58712 
1 1 1   24    1   55 o  105.101   9.9028   33.044   5.2292   32.050   9.1083   33.533   6.3866  102.042   16.518  108.160   10.927 -6.117912 19.80568 
1 1 1   24    1   56 o   58.673   12.193   11.459   4.1542   12.817   5.7579   9.9840   5.9994   62.418   16.730   54.928   17.742 7.490543 24.38626 
1 1 1   24    1   57 o  134.885   6.5519   51.888   4.7733   51.551   6.6424   52.248   6.8639  134.530   9.1372  135.240   9.3925 -0.7093506 13.10372 
1 1 1   24    2    0 o  451.110   8.5243  550.432   20.777  543.694   29.107  557.432   29.667  448.298   12.015  453.923   12.095 -5.624878 17.04867 
1 1 1   24    2    1 o  587.922   9.1280  934.985   27.381  934.342   33.583  936.261   47.292  587.766   10.574  588.078   14.882 -0.3122559 18.25595 
1 1 1   24    2    2 o  454.676   6.1036  558.877   14.994  561.962   21.408  555.907   21.006  455.905   8.6900  453.447   8.5731 2.458496 12.20715 
1 1 1   24    2    3 o  148.412   5.1188   59.467   4.0981   60.710   5.9990   58.380   5.6115  149.862   7.4080  146.961   7.0663 2.900574 10.23768 
1 1 1   24    2    4 o  905.919   10.986  2221.41   53.762  2185.29   74.861  2259.88   77.257  898.333   15.422  913.505   15.651 -15.17133 21.97217 
1 1 1   24    2    5 o  416.664   5.7435  469.359   12.931  464.204   18.257  474.549   18.318  414.367   8.1537  418.961   8.0913 -4.593536 11.48706 
1 1 1   24    2    6 o  429.155   5.8478  497.921   13.559  499.525   19.360  496.377   18.996  429.832   8.3351  428.479   8.2045 1.352142 11.69568 
1 1 1   24    2    7 o  326.979   5.0017  288.781   8.8308  294.808   12.787  283.287   12.210  330.236   7.1659  323.723   6.9798 6.512848 10.00342 
1 1 1   24    2    8 o  738.452   9.1044  1475.35   36.319  1450.57   50.600  1501.67   52.160  732.069   12.791  744.835   12.960 -12.76587 18.20887 
1 1 1   24    2    9 o  313.130   4.9279  264.814   8.3306  270.631   12.090  259.555   11.495  316.399   7.0715  309.862   6.8651 6.537048 9.855739 
1 1 1   24    2   10 o  267.330   6.5334  193.186   9.4379   0.0000   0.0000  193.186   9.4379  ?   ?   267.330   6.5334      ?      ? 
1 1 1   24    2   11 o  226.514   4.6342  138.378   5.6629  127.719   7.8197  150.132   8.2116  217.361   6.6576  235.667   6.4483 -18.30522 9.268469 
1 1 1   24    2   12 o  185.857   4.8396   93.315   4.8535  100.431   6.9622   86.588   6.7697  192.747   6.6846  178.967   7.0002 13.77988 9.679127 
1 1 1   24    2   13 o  421.686   5.8625  480.672   13.356  471.636   18.685  490.111   19.099  417.636   8.2797  425.736   8.3018 -8.099976 11.72491 
1 1 1   24    2   14 o  626.645   7.9381  1062.60   26.880  1056.04   38.001  1069.17   38.026  624.707   11.257  628.584   11.195 -3.877075 15.87625 
1 1 1   24    2   15 o   37.644   10.735   0.8702   3.4501  -1.4441   4.5773   3.9148   5.2501   31.323   13.823   43.965   16.428 -12.64169 21.46998 
1 1 1   24    2   16 o  557.590   7.2256  840.521   21.752  857.173   31.537  825.410   30.043  562.841   10.369  552.338   10.066 10.50342 14.45127 
1 1 1   24    2   17 o  747.114   13.095  1511.65   52.867   0.0000   0.0000  1511.65   52.867  ?   ?   747.114   13.095      ?      ? 
1 1 1   24    2   18 o  215.913   6.8624  126.039   8.0066  126.039   8.0066   0.0000   0.0000  215.913   6.8624  ?   ?       ?      ? 
1 1 1   24    2   19 o  292.004   4.9211  230.571   7.7055  270.087   11.125  194.139   10.682  316.066   6.5140  267.942   7.3780 48.12399 9.842144 
1 1 1   24    2   20 o  264.335   6.0146  188.906   8.5910  188.906   8.5910   0.0000   0.0000  264.335   6.0146  ?   ?       ?      ? 
1 1 1   24    2   21 o  954.494   16.307  2473.36   84.108  2473.36   84.108   0.0000   0.0000  954.494   16.307  ?   ?       ?      ? 
1 1 1   24    2   22 o  536.303   6.9117  777.927   20.022  805.230   28.758  752.241   27.893  545.431   9.7574  527.176   9.7917 18.25507 13.82336 
1 1 1   24    2   23 o  641.304   8.0493  1112.60   27.869  1157.40   40.477  1072.23   38.428  653.544   11.462  629.065   11.305 24.47870 16.09859 
1 1 1   24    2   24 f  321.566   4.9387  280.341   8.5427  286.772   11.620  272.777   12.602  325.609   6.6041  317.523   7.3450 8.086853 9.877391 
1 1 1   24    2   25 o  194.008   5.4509  101.776   5.7145  101.776   5.7145   0.0000   0.0000  194.008   5.4509  ?   ?       ?      ? 
1 1 1   24    2   28 o   98.872   6.8198   27.279   3.2446   28.288   3.8428   24.775   6.0554  102.231   6.9563   95.514   11.732 6.716408 13.63962 
1 1 1   24    2   29 o  389.493   5.5526  411.421   11.666  420.437   16.131  401.536   16.890  394.007   7.5766  384.980   8.1193 9.026520 11.10527 
1 1 1   24    2   32 o  351.509   5.3595  335.654   10.136  342.887   13.798  327.177   14.939  355.692   7.1790  347.326   7.9598 8.366882 10.71894 
1 1 1   24    2   33 o  155.507   9.0884   65.682   7.6370   0.0000   0.0000   65.682   7.6370  ?   ?   155.507   9.0884      ?      ? 
1 1 1   24    2   34 o  172.190   5.3484   82.354   4.7207   87.151   5.9158   73.943   7.8327  179.376   6.1032  165.005   8.7847 14.37102 10.69672 
1 1 1   24    2   35 o   57.670   10.009   10.900   3.3826   14.634   4.0123   1.7247   6.2894   73.303   10.129   42.037   17.266 31.26605 20.01797 
1 1 1   24    2   37 o  177.641   4.1375   86.557   3.9083   92.477   5.2001   78.872   5.9249  184.765   5.2084  170.517   6.4302 14.24786 8.274972 
1 1 1   24    2   38 o  198.453   4.2552  106.762   4.5552  106.034   6.2511  107.585   6.6517  197.753   5.8499  199.153   6.1809 -1.400116 8.510303 
1 1 1   24    2   39 o   67.974   7.8399   13.285   2.7096   16.962   3.7625   9.3246   3.9055   78.867   8.8286   57.081   12.958 21.78651 15.67977 
1 1 1   24    2   40 o   83.741   6.4650   18.959   2.9038   16.054   3.9081   22.539   4.3387   76.624   9.4386   90.858   8.8371 -14.23380 12.92992 
1 1 1   24    2   41 o  356.008   5.2131  344.402   10.018  361.025   14.591  329.580   13.778  364.101   7.4162  347.915   7.3285 16.18539 10.42628 
1 1 1   24    2   42 o  206.227   6.0854  115.590   6.7815  115.590   6.7815   0.0000   0.0000  206.227   6.0854  ?   ?       ?      ? 
1 1 1   24    2   43 o  109.036   5.6112   32.474   3.2986   32.232   4.5088   32.752   4.8386  108.639   7.6805  109.433   8.1825 -0.7937927 11.22241 
1 1 1   24    2   44 o   62.522   9.3908   11.292   3.0659   11.138   4.1595   11.476   4.5368   62.158   12.810   62.887   13.735 -0.7280235 18.78156 
1 1 1   24    2   45 o   42.659   10.834   3.5575   3.2912   7.6149   5.2131   0.8685   4.2439   51.750   16.520   33.568   14.020 18.18235 21.66755 
1 1 1   24    2   46 o   79.648   9.7006   18.123   4.0853   17.230   5.7598   19.027   5.7952   76.964   14.378   82.333   13.026 -5.368530 19.40120 
1 1 1   24    2   47 o   57.309   12.001   9.6693   4.0256   7.7703   5.6335   11.651   5.7546   52.253   17.212   62.366   16.730 -10.11349 24.00267 
1 1 1   24    2   48 o   98.286   8.6267   27.193   4.5789   27.500   6.3889   26.869   6.5657   98.936   11.951   97.637   12.445 1.298714 17.25346 
1 1 1   24    2   49 o   87.506   8.5004   21.575   3.8564   21.561   4.8265   21.601   6.4130   87.985   10.152   87.027   13.637 0.9577408 17.00070 
1 1 1   24    2   50 o   57.423   10.828   9.9166   3.4355   10.903   4.7613   8.8453   4.9621   60.414   14.720   54.432   15.885 5.982838 21.65649 
1 1 1   24    2   51 o   57.214   10.994   9.9689   3.5296   11.685   4.8931   8.1075   5.0964   62.290   14.763   52.139   16.295 10.15115 21.98795 
1 1 1   24    2   52 o  120.041   6.3823   40.323   4.1185   44.475   5.7870   36.062   5.8626  126.550   8.4626  113.532   9.5562 13.01846 12.76464 
1 1 1   24    2   53 o   50.398   11.988   7.5653   3.8619   6.7702   5.3043   8.4622   5.6335   48.194   16.698   52.602   17.206 -4.407669 23.97697 
1 1 1   24    2   54 o  184.625   7.1809   63.799   5.8372   37.571   6.4570  181.081   13.654  115.433   10.352  253.818   9.9552 -138.3855 14.36189 
1 1 1   24    2   55 o   58.311   14.351   10.620   5.9758   16.671   8.4072   4.4414   8.4955   69.394   20.787   47.229   19.790 22.16498 28.70109 
1 1 1   24    2   56 o   51.441   14.193   7.7787   5.7804   9.9752   8.0247   5.4099   8.3335   55.109   20.366   47.772   19.774 7.336384 28.38627 
1 1 1   24    2   57 o   81.153   10.174   20.582   4.2605   14.447   5.8887   27.321   6.1719   66.182   16.518   96.124   11.882 -29.94137 20.34805 
1 1 1   24    3    0 o  511.570   9.3795  707.566   25.912  690.315   35.889  726.351   37.452  505.070   13.150  518.071   13.378 -13.00092 18.75893 
1 1 1   24    3    1 o  688.554   12.061  1284.01   44.865  1266.44   62.663  1302.48   64.266  683.734   16.960  693.373   17.152 -9.638550 24.12171 
1 1 1   24    3    2 o  162.364   6.3760   71.349   5.5885   68.559   7.9656   74.054   7.8426  159.231   9.2577  165.497   8.7697 -6.265594 12.75196 
1 1 1   24    3    3 o  441.858   7.2862  523.889   16.386  515.902   19.976  540.315   28.648  436.824   8.4628  446.892   11.863 -10.06873 14.57233 
1 1 1   24    3    4 o  553.915   7.1155  829.808   21.298  824.952   30.127  834.659   30.112  552.293   10.095  555.536   10.031 -3.243530 14.23109 
1 1 1   24    3    5 o  947.618   11.479  2432.29   58.773  2409.32   82.441  2456.02   83.812  943.078   16.177  952.157   16.289 -9.079346 22.95765 
1 1 1   24    3    6 o  1050.10   12.662  2986.22   71.796  2915.50   99.208  3063.98  104.033  1037.10   17.703  1063.10   18.110 -26.00037 25.32469 
1 1 1   24    3    7 o  480.839   6.4014  624.652   16.625  605.191   23.087  645.609   23.959  473.070   9.0315  488.609   9.0743 -15.53958 12.80275 
1 1 1   24    3    8 o  652.099   8.1784  1147.58   28.767  1101.90   39.273  1200.47   42.255  638.148   11.389  666.049   11.741 -27.90070 16.35688 
1 1 1   24    3    9 o   97.308   9.1389   25.609   4.8054   0.0000   0.0000   25.609   4.8054  ?   ?    97.308   9.1389      ?      ? 
1 1 1   24    3   10 o  354.842   5.2708  340.291   10.098  343.627   14.607  337.237   13.976  356.503   7.5825  353.181   7.3233 3.321777 10.54161 
1 1 1   24    3   11 o  203.960   4.7567  112.089   5.2302  117.635   7.7257  107.396   7.1062  208.600   6.8539  199.320   6.5978 9.280441 9.513479 
1 1 1   24    3   12 o  505.712   6.6682  690.797   18.200  709.271   26.527  674.367   25.017  512.083   9.5865  499.341   9.2714 12.74115 13.33638 
1 1 1   24    3   13 o  547.062   7.1023  809.532   20.992  811.662   29.979  807.484   29.404  547.762   10.128  546.362   9.9594 1.400269 14.20456 
1 1 1   24    3   14 o  882.294   10.759  2108.98   51.288  2086.38   71.870  2132.43   73.214  877.487   15.157  887.100   15.273 -9.612915 21.51779 
1 1 1   24    3   15 o  539.109   9.8965  786.288   28.830   0.0000   0.0000  786.288   28.830  ?   ?   539.109   9.8965      ?      ? 
1 1 1   24    3   16 f  722.040   8.9894  1411.70   35.073  1404.01   49.517  1419.44   49.685  720.065   12.726  724.014   12.700 -3.948914 17.97871 
1 1 1   24    3   17 f  423.577   8.3845  485.223   19.191   0.0000   0.0000  485.223   19.191  ?   ?   423.577   8.3845      ?      ? 
1 1 1   24    3   20 o  1054.50   12.739  3021.63   72.586  3050.99  103.428  2993.14  101.892  1059.53   18.065  1049.47   17.967 10.05884 25.47881 
1 1 1   24    3   21 o  218.447   4.5584  128.735   5.1293  128.069   6.3491  129.986   8.7036  217.660   5.3981  219.234   7.3469 -1.573639 9.116831 
1 1 1   24    3   22 o  489.537   6.4501  648.527   17.056  672.943   24.247  624.613   23.996  498.668   8.9981  480.406   9.2437 18.26178 12.90011 
1 1 1   24    3   23 o  666.168   11.675  1202.89   42.026  1202.89   42.026   0.0000   0.0000  666.168   11.675  ?   ?       ?      ? 
1 1 1   24    3   24 o  467.863   8.5557  592.553   21.630  592.553   21.630   0.0000   0.0000  467.863   8.5557  ?   ?       ?      ? 
1 1 1   24    3   27 o  247.631   7.4181  165.984   9.9263   0.0000   0.0000  165.984   9.9263  ?   ?   247.631   7.4181      ?      ? 
1 1 1   24    3   28 o  343.014   7.8212  318.642   14.497   0.0000   0.0000  318.642   14.497  ?   ?   343.014   7.8212      ?      ? 
1 1 1   24    3   29 o  470.990   8.5949  601.239   21.875  601.239   21.875   0.0000   0.0000  470.990   8.5949  ?   ?       ?      ? 
1 1 1   24    3   30 o  240.990   4.7752  159.805   5.8940  165.736   7.3323  148.976   9.9085  247.499   5.4825  234.482   7.8201 13.01767 9.550477 
1 1 1   24    3   31 o  630.698   8.0115  1081.12   27.292  1120.62   39.257  1044.17   37.968  641.842   11.319  619.554   11.341 22.28790 16.02293 
1 1 1   24    3   32 o  206.508   8.1643  115.697   9.1106   0.0000   0.0000  115.697   9.1106  ?   ?   206.508   8.1643      ?      ? 
1 1 1   24    3   33 o   53.657   10.990   7.5482   2.7496   7.4338   3.0055   8.1353   6.8092   51.271   11.165   56.043   18.933 -4.772099 21.97959 
1 1 1   24    3   34 o   69.327   10.212   17.583   3.1383   20.531   3.5137   5.9584   6.9774   87.004   7.4738   51.650   19.008 35.35430 20.42422 
1 1 1   24    3   37 o  272.295   5.1632  203.523   7.3740  210.988   9.4600  191.964   11.772  278.910   6.2768  265.679   8.1999 13.23108 10.32645 
1 1 1   24    3   38 o  310.171   4.7592  261.219   7.9735  262.604   11.138  259.762   11.420  311.037   6.6269  309.304   6.8325 1.733002 9.518370 
1 1 1   24    3   39 o  181.471   6.2989   89.411   6.1767   0.0000   0.0000   89.411   6.1767  ?   ?   181.471   6.2989      ?      ? 
1 1 1   24    3   40 o  246.099   4.4186  164.011   5.8568  158.717   7.9180  170.408   8.7032  241.765   6.0608  250.433   6.4313 -8.667160 8.837176 
1 1 1   24    3   41 f  105.972   5.4621   30.481   3.1013   29.678   4.1026   31.551   4.7373  104.402   7.2720  107.541   8.1520 -3.138290 10.92421 
1 1 1   24    3   42 o  289.203   5.5834  228.229   8.4431  228.604   13.804  228.005   10.672  289.020   8.8386  289.387   6.8247 -0.3669434 11.16683 
1 1 1   24    3   43 o  254.606   6.0797  176.481   8.3305  166.374   11.184  189.077   12.485  246.547   8.3948  262.665   8.7965 -16.11807 12.15936 
1 1 1   24    3   44 o   46.651   11.183   5.6228   3.4944   8.0653   4.8664   3.0225   5.0210   52.885   15.809   40.417   15.822 12.46812 22.36670 
1 1 1   24    3   45 o  177.789   5.9785   86.779   5.7389   87.365   7.9734   86.149   8.2667  178.473   8.2677  177.105   8.6380 1.367722 11.95701 
1 1 1   24    3   46 o   29.915   9.5837  -2.0894   3.2529  -1.3234   4.0763  -3.4324   5.3977   28.939   12.893   30.891   14.183 -1.952135 19.16739 
1 1 1   24    3   47 o   59.393   10.023   10.315   3.1706   9.0972   4.3010   11.765   4.6924   55.542   14.258   63.243   14.091 -7.700436 20.04617 
1 1 1   24    3   48 o   38.695   10.475   2.7172   3.1391   0.7016   4.2261   5.1980   4.6885   32.971   13.894   44.419   15.679 -11.44823 20.94913 
1 1 1   24    3   49 o   67.503   9.6439   13.456   3.3750   13.948   4.5200   12.835   5.0737   69.315   12.529   65.692   14.665 3.623070 19.28784 
1 1 1   24    3   50 o   93.692   7.1887   24.324   3.6259   21.798   4.9163   27.338   5.3692   88.354   10.297   99.029   10.034 -10.67426 14.37741 
1 1 1   24    3   51 o  110.978   6.6357   34.129   3.9689   31.276   5.4021   37.476   5.8503  105.946   9.4360  116.011   9.3324 -10.06557 13.27149 
1 1 1   24    3   52 o   56.305   11.537   9.8581   3.8017   11.992   5.1670   7.3395   5.6135   62.529   15.395   50.080   17.188 12.44835 23.07463 
1 1 1   24    3   53 o  167.804   7.4976   77.937   6.7985   77.937   6.7985   0.0000   0.0000  167.804   7.4976  ?   ?       ?      ? 
1 1 1   24    3   54 o  205.589   7.2966  116.675   8.1060  116.675   8.1060   0.0000   0.0000  205.589   7.2966  ?   ?       ?      ? 
1 1 1   24    3   55 o   51.252   13.750   7.4326   4.8352   6.4106   5.7018   10.050   9.1237   46.703   17.183   55.800   21.471 -9.097229 27.50014 
1 1 1   24    3   56 o   99.003   13.247   32.557   6.8312   21.027   9.4454   45.203   9.8916   76.494   21.795  121.511   15.065 -45.01766 26.49482 
1 1 1   24    3   57 o  120.837   11.971   47.252   7.4030   35.473   10.168   60.541   10.800  101.585   19.227  140.088   14.266 -38.50272 23.94175 
1 1 1   24    4    0 o  609.129   9.4034  1006.80   29.298  995.946   50.190  1012.42   36.084  606.464   15.315  611.794   10.915 -5.329834 18.80672 
1 1 1   24    4    1 o  719.662   10.830  1416.05   40.345  1354.05   66.765  1451.71   50.636  706.890   17.479  732.435   12.794 -25.54504 21.66082 
1 1 1   24    4    2 o  607.237   10.793  998.524   35.415  994.369   50.013  1002.70   50.157  605.969   15.274  608.505   15.254 -2.535706 21.58624 
1 1 1   24    4    3 f  747.791   12.997  1515.61   52.510  1498.20   73.489  1533.78   75.058  743.415   18.294  752.168   18.467 -8.753174 25.99397 
1 1 1   24    4    4 o  872.280   14.998  2064.69   70.679  2039.41   98.766  2091.22  101.190  866.834   21.085  877.726   21.335 -10.89246 29.99618 
1 1 1   24    4    5 o  350.533   6.3043  331.110   11.494  328.065   14.384  336.487   19.115  348.351   7.6416  352.715   10.029 -4.364227 12.60855 
1 1 1   24    4    6 o  657.493   8.2456  1169.57   29.290  1177.93   41.887  1161.58   40.973  659.784   11.749  655.203   11.573 4.580261 16.49121 
1 1 1   24    4    7 o  183.588   4.8263   91.172   4.7784   90.132   6.9600   92.099   6.5720  182.594   7.0540  184.582   6.5890 -1.987869 9.652663 
1 1 1   24    4    8 o  520.850   6.8170  733.015   19.176  710.632   26.584  757.292   27.686  512.573   9.5981  529.127   9.6831 -16.55469 13.63393 
1 1 1   24    4    9 o  492.901   6.5455  656.987   17.432  645.690   24.482  668.604   24.827  488.603   9.2727  497.199   9.2409 -8.595795 13.09108 
1 1 1   24    4   10 o  433.198   6.0041  507.494   14.049  506.694   20.164  508.248   19.584  432.861   8.6205  433.535   8.3597 -0.6749573 12.00828 
1 1 1   24    4   11 o  585.646   7.4977  927.792   23.726  914.881   33.335  941.047   33.777  581.517   10.608  589.775   10.598 -8.257935 14.99543 
1 1 1   24    4   12 o  267.845   4.9132  194.115   7.0995  190.607   10.285  197.307   9.8118  265.526   7.1684  270.163   6.7210 -4.636383 9.826425 
1 1 1   24    4   13 o  190.456   4.9271   97.470   5.0554  107.110   7.4932   89.416   6.8490  199.047   6.9666  181.864   6.9693 17.18286 9.854198 
1 1 1   24    4   14 o  276.414   6.9631  206.564   10.400   0.0000   0.0000  206.564   10.400  ?   ?   276.414   6.9631      ?      ? 
1 1 1   24    4   15 o  578.438   10.481  905.370   32.759   0.0000   0.0000  905.370   32.759  ?   ?   578.438   10.481      ?      ? 
1 1 1   24    4   16 o  591.851   10.686  947.894   34.175   0.0000   0.0000  947.894   34.175  ?   ?   591.851   10.686      ?      ? 
1 1 1   24    4   17 o  324.200   5.2577  284.017   9.2072  273.696   12.853  294.896   13.196  318.152   7.4763  330.247   7.3944 -12.09506 10.51533 
1 1 1   24    4   18 o  154.829   5.3383   65.012   4.4136   66.091   5.8386   63.574   6.7419  156.344   6.9110  153.315   8.1379 3.028442 10.67650 
1 1 1   24    4   19 o  594.354   6.8299  959.300   21.725  930.921   32.822  981.429   28.983  586.431   10.358  602.278   8.9055 -15.84686 13.65978 
1 1 1   24    4   20 o  583.095   7.4515  920.607   23.475  932.096   33.056  908.917   33.343  586.778   10.425  579.411   10.650 7.366699 14.90299 
1 1 1   24    4   21 o  311.524   7.6406  262.491   12.862   0.0000   0.0000  262.491   12.862  ?   ?   311.524   7.6406      ?      ? 
1 1 1   24    4   23 o  449.242   8.8941  546.365   21.591   0.0000   0.0000  546.365   21.591  ?   ?   449.242   8.8941      ?      ? 
1 1 1   24    4   24 o  400.142   8.4173  433.418   18.200   0.0000   0.0000  433.418   18.200  ?   ?   400.142   8.4173      ?      ? 
1 1 1   24    4   25 o  246.969   7.4719  165.054   9.9715   0.0000   0.0000  165.054   9.9715  ?   ?   246.969   7.4719      ?      ? 
1 1 1   24    4   27 o   70.506   17.484   14.109   6.6284   0.0000   0.0000   14.109   6.6284  ?   ?    70.506   17.484      ?      ? 
1 1 1   24    4   28 f  430.654   8.8181  502.660   20.521   0.0000   0.0000  502.660   20.521  ?   ?   430.654   8.8181      ?      ? 
1 1 1   24    4   30 o  271.167   7.7809  199.256   11.401   0.0000   0.0000  199.256   11.401  ?   ?   271.167   7.7809      ?      ? 
1 1 1   24    4   32 o  397.182   8.6555  428.258   18.577   0.0000   0.0000  428.258   18.577  ?   ?   397.182   8.6555      ?      ? 
1 1 1   24    4   35 o  208.435   8.6798  118.129   9.7762   0.0000   0.0000  118.129   9.7762  ?   ?   208.435   8.6798      ?      ? 
1 1 1   24    4   36 o  159.421   5.9911   73.840   4.4079   79.011   5.1598   59.873   8.4800  170.757   5.5920  148.085   10.597 22.67197 11.98225 
1 1 1   24    4   37 f  201.547   5.0919  113.797   4.8097  117.592   5.6096  103.261   9.3460  208.364   4.9822  194.730   8.8819 13.63387 10.18381 
1 1 1   24    4   38 o  403.954   5.5965  443.721   12.210  437.934   16.955  449.956   17.598  401.252   7.8198  406.656   8.0082 -5.404144 11.19293 
1 1 1   24    4   39 o   89.521   6.1679   21.909   2.9739   21.236   4.3453   22.501   4.0789   88.187   9.1186   90.856   8.3081 -2.668701 12.33582 
1 1 1   24    4   40 o  151.834   5.3969   62.129   4.4034   54.640   5.9052   71.509   6.6087  141.622   7.7164  162.045   7.5473 -20.42270 10.79375 
1 1 1   24    4   41 f  202.880   5.5276  112.318   6.0549  116.216   8.5047  108.311   8.6224  206.499   7.6218  199.262   8.0078 7.236572 11.05515 
1 1 1   24    4   42 o   73.333   8.7091   15.004   3.3587   12.962   4.5535   17.441   4.9741   67.232   13.004   79.433   11.588 -12.20030 17.41823 
1 1 1   24    4   43 f  149.446   5.2935   60.461   4.1255   59.057   5.1674   62.928   6.8512  147.266   6.4935  151.626   8.3618 -4.360107 10.58705 
1 1 1   24    4   44 o   57.995   9.5706   9.6054   2.9536   7.5744   3.9518   12.176   4.4457   51.081   13.932   64.908   13.126 -13.82708 19.14113 
1 1 1   24    4   45 o   47.727   10.483   6.5027   2.9986   7.1677   4.0258   5.6740   4.4939   49.735   14.249   45.719   15.381 4.015049 20.96695 
1 1 1   24    4   46 o  291.242   4.8750  230.643   7.6436  219.287   10.287  244.644   11.422  283.359   6.7181  299.124   7.0663 -15.76471 9.750091 
1 1 1   24    4   47 o  102.950   6.4949   28.208   3.5246   21.014   4.5604   38.879   5.5544   87.115   9.6879  118.785   8.6534 -31.67062 12.98984 
1 1 1   24    4   48 o  158.867   5.0427   68.891   4.3030   66.540   5.7381   71.912   6.5044  155.885   6.8120  161.850   7.4371 -5.964279 10.08537 
1 1 1   24    4   49 o  133.756   5.6136   48.851   4.0335   45.832   5.3636   52.779   6.1190  129.115   7.6876  138.396   8.1822 -9.280853 11.22714 
1 1 1   24    4   50 o   51.148   11.544   7.5502   3.5824   6.4970   4.7506   8.9386   5.4547   47.682   15.810   54.614   16.824 -6.931747 23.08705 
1 1 1   24    4   51 o  179.332   5.2852   87.984   5.0977   82.510   6.8190   94.919   7.6750  173.138   7.2885  185.526   7.6557 -12.38750 10.57038 
1 1 1   24    4   52 o   72.931   10.488   15.899   4.0882   9.4075   5.5302   23.720   6.0706   55.111   16.934   90.751   12.379 -35.63957 20.97612 
1 1 1   24    4   53 o   66.953   11.902   13.921   4.3110   11.912   5.8695   16.274   6.3526   61.611   17.051   72.295   16.610 -10.68397 23.80439 
1 1 1   24    4   54 f  104.588   8.6067   30.914   4.8174   25.751   6.4255   37.541   7.2800   94.558   12.575  114.619   11.754 -20.06071 17.21335 
1 1 1   24    4   55 o   77.773   11.482   20.109   4.7150   24.231   6.3204   14.938   7.0801   89.854   13.017   65.691   18.918 24.16378 22.96399 
1 1 1   24    4   56 o   59.635   11.595   10.842   4.6792   20.248   6.5881   1.2681   6.6470   80.082   15.786   39.189   16.987 40.89268 23.18922 
1 1 1   24    4   57 o   62.803   16.351   7.8601   9.0294   33.739   14.003 -10.5563   11.813   87.408   26.961   38.198   18.508 49.20997 32.70230 
1 1 1   24    5    0 o  899.344   10.951  2190.55   53.216  2194.32   75.576  2186.84   74.946  900.105   15.538  898.583   15.435 1.521912 21.90138 
1 1 1   24    5    1 o  674.427   10.254  1242.09   35.706  1195.27   59.522  1268.40   44.627  664.193   16.584  684.662   12.062 -20.47003 20.50710 
1 1 1   24    5    2 o  811.441   12.138  1791.69   50.501  1761.26   85.926  1807.74   62.420  805.758   19.735  817.125   14.137 -11.36609 24.27569 
1 1 1   24    5    3 o  397.716   7.7795  427.919   16.719  424.549   23.614  431.306   23.674  396.145   11.032  399.287   10.972 -3.142670 15.55896 
1 1 1   24    5    4 o  210.488   6.1796  119.673   7.0245  114.527   9.7605  125.203   10.118  205.798   8.7769  215.178   8.7014 -9.379654 12.35913 
1 1 1   24    5    5 o  775.384   13.438  1630.19   56.280  1601.35   78.285  1661.04   80.968  768.315   18.856  782.453   19.150 -14.13782 26.87505 
1 1 1   24    5    6 o  515.291   9.3802  717.438   26.085  691.892   35.786  746.396   38.101  505.537   13.100  525.045   13.429 -19.50775 18.76049 
1 1 1   24    5    7 o  453.081   8.4660  553.640   20.682  527.252   28.130  584.685   30.511  441.384   11.794  464.778   12.149 -23.39450 16.93190 
1 1 1   24    5    8 o  221.691   5.9483  132.938   7.1227  128.446   10.071  137.432   10.075  217.940   8.5518  225.442   8.2702 -7.501526 11.89658 
1 1 1   24    5    9 o  445.141   11.739  536.261   28.238   0.0000   0.0000  536.261   28.238  ?   ?   445.141   11.739      ?      ? 
1 1 1   24    5   10 o  937.164   11.395  2373.66   57.587  2283.94   78.431  2478.61   84.824  918.056   15.810  956.271   16.415 -38.21533 22.79072 
1 1 1   24    5   11 f  600.128   7.7113  974.501   25.005  968.829   35.486  980.094   35.241  598.388   10.974  601.867   10.836 -3.479614 15.42254 
1 1 1   24    5   12 o  815.298   10.034  1794.02   44.094  1716.37   59.811  1886.46   65.261  796.083   13.904  834.513   14.472 -38.43024 20.06882 
1 1 1   24    5   13 o  607.398   10.954  998.368   35.952   0.0000   0.0000  998.368   35.952  ?   ?   607.398   10.954      ?      ? 
1 1 1   24    5   14 o  259.699   6.8076  182.336   9.5533   0.0000   0.0000  182.336   9.5533  ?   ?   259.699   6.8076      ?      ? 
1 1 1   24    5   15 o   46.982   8.9505   3.3378   3.2925  -6.1221   4.6149   13.145   4.6989   25.441   12.126   68.524   13.168 -43.08343 17.90104 
1 1 1   24    5   16 o  242.925   4.9520  159.502   6.4988  161.669   9.3145  157.446   9.0717  244.532   7.0491  241.319   6.9568 3.212891 9.903910 
1 1 1   24    5   17 o  560.467   7.3139  844.912   22.064  794.567   29.641  907.462   33.040  541.878   10.123  579.056   10.559 -37.17853 14.62776 
1 1 1   24    5   18 o  460.195   8.9012  572.973   22.135   0.0000   0.0000  572.973   22.135  ?   ?   460.195   8.9012      ?      ? 
1 1 1   24    5   19 o  853.635   14.890  1976.74   68.682   0.0000   0.0000  1976.74   68.682  ?   ?   853.635   14.890      ?      ? 
1 1 1   24    5   20 o  208.909   8.1385  118.059   9.1874   0.0000   0.0000  118.059   9.1874  ?   ?   208.909   8.1385      ?      ? 
1 1 1   24    5   21 o  511.174   9.7731  707.347   26.995   0.0000   0.0000  707.347   26.995  ?   ?   511.174   9.7731      ?      ? 
1 1 1   24    5   22 o  399.292   8.4889  431.509   18.316   0.0000   0.0000  431.509   18.316  ?   ?   399.292   8.4889      ?      ? 
1 1 1   24    5   25 o  185.111   8.9194   92.799   8.9219   0.0000   0.0000   92.799   8.9219  ?   ?   185.111   8.9194      ?      ? 
1 1 1   24    5   32 o   94.158   14.313   24.268   7.2822   0.0000   0.0000   24.268   7.2822  ?   ?    94.158   14.313      ?      ? 
1 1 1   24    5   33 o  261.265   8.4335  185.306   11.906   0.0000   0.0000  185.306   11.906  ?   ?   261.265   8.4335      ?      ? 
1 1 1   24    5   34 o  350.835   11.248  335.811   21.323   0.0000   0.0000  335.811   21.323  ?   ?   350.835   11.248      ?      ? 
1 1 1   24    5   38 o  185.677   5.1029   93.006   5.0950   81.419   6.9034  106.869   7.5511  173.045   7.3827  198.310   7.0466 -25.26517 10.20580 
1 1 1   24    5   39 o  168.378   4.7948   77.660   4.3110   81.583   5.7638   72.680   6.4948  173.331   6.1538  163.424   7.3546 9.906097 9.589578 
1 1 1   24    5   40 o  329.453   7.0457  295.334   12.543  295.334   12.543   0.0000   0.0000  329.453   7.0457  ?   ?       ?      ? 
1 1 1   24    5   41 o  262.309   4.8269  185.994   6.7839  178.113   8.9494  196.638   10.401  255.918   6.4715  268.701   7.1634 -12.78305 9.653761 
1 1 1   24    5   42 o   90.015   9.4993   22.247   4.6206   0.0000   0.0000   22.247   4.6206  ?   ?    90.015   9.4993      ?      ? 
1 1 1   24    5   43 f  327.928   5.1991  291.379   9.1493  276.246   12.125  311.387   13.942  318.248   7.0508  337.608   7.6424 -19.35916 10.39810 
1 1 1   24    5   44 f  145.362   6.7798   57.656   5.3255   57.656   5.3255   0.0000   0.0000  145.362   6.7798  ?   ?       ?      ? 
1 1 1   24    5   45 o  181.491   6.5806   89.865   6.4537   89.865   6.4537   0.0000   0.0000  181.491   6.5806  ?   ?       ?      ? 
1 1 1   24    5   46 o  177.019   7.2918   85.783   6.9749   0.0000   0.0000   85.783   6.9749  ?   ?   177.019   7.2918      ?      ? 
1 1 1   24    5   47 o   64.799   15.098   12.481   5.1885   0.0000   0.0000   12.481   5.1885  ?   ?    64.799   15.098      ?      ? 
1 1 1   24    5   48 o  205.657   7.2820  116.071   8.0925   0.0000   0.0000  116.071   8.0925  ?   ?   205.657   7.2820      ?      ? 
1 1 1   24    5   49 o   53.138   17.075   8.2669   5.5623   0.0000   0.0000   8.2669   5.5623  ?   ?    53.138   17.075      ?      ? 
1 1 1   24    5   50 o  234.327   7.4571  151.185   9.4424   0.0000   0.0000  151.185   9.4424  ?   ?   234.327   7.4571      ?      ? 
1 1 1   24    5   51 o   99.839   11.077   28.128   5.9761   28.128   5.9761   0.0000   0.0000   99.839   11.077  ?   ?       ?      ? 
1 1 1   24    5   53 o   42.330   17.476   2.8892   6.4847   0.0000   0.0000   2.8892   6.4847  ?   ?    42.330   17.476      ?      ? 
1 1 1   24    5   54 o  101.586   13.282   30.088   7.2911   0.0000   0.0000   30.088   7.2911  ?   ?   101.586   13.282      ?      ? 
1 1 1   24    6    0 f  758.975   9.4005  1558.91   38.547  1534.60   53.898  1584.36   55.151  752.926   13.247  765.024   13.341 -12.09760 18.80095 
1 1 1   24    6    1 o  186.462   5.2646   93.473   5.2761   98.832   7.9643   89.281   7.0433  191.195   7.7087  181.730   7.1723 9.465118 10.52930 
1 1 1   24    6    2 o  119.221   7.6506   40.577   4.6284   31.081   7.4274   46.606   5.9178  107.155   12.827  131.286   8.3417 -24.13062 15.30115 
1 1 1   24    6    3 o  772.914   13.459  1617.46   56.214   0.0000   0.0000  1617.46   56.214  ?   ?   772.914   13.459      ?      ? 
1 1 1   24    6    4 f  502.005   8.0721  680.964   20.853  678.753   25.795  685.135   35.426  500.948   9.5291  503.062   13.032 -2.113922 16.14412 
1 1 1   24    6    5 o  660.446   8.3399  1178.29   29.728  1137.47   40.839  1224.31   43.358  648.313   11.657  672.579   11.930 -24.26569 16.67985 
1 1 1   24    6    6 o  443.216   6.2090  529.422   14.845  496.972   20.308  566.663   21.755  428.680   8.7667  457.750   8.7951 -29.07016 12.41810 
1 1 1   24    6    7 o  534.930   8.4750  774.099   23.244  775.676   39.755  773.281   28.651  535.196   13.746  534.663   9.9168 0.5330811 16.95000 
1 1 1   24    6    8 o  290.703   7.0566  137.268   8.5345   88.896   9.2058  433.108   22.766  181.294   9.3970  400.112   10.530 -218.8178 14.11316 
1 1 1   24    6    9 o  1118.12   19.061  3401.83  115.030  3308.56  158.094  3506.76  167.684  1102.00   26.549  1134.23   27.359 -32.23584 38.12295 
1 1 1   24    6   10 o  468.106   8.6825  591.995   21.939  569.144   30.189  617.568   31.937  458.558   12.184  477.654   12.374 -19.09573 17.36501 
1 1 1   24    6   11 o  193.525   6.0789  101.332   6.3053  100.901   9.5345  101.667   8.4058  193.148   9.1353  193.903   8.0225 -0.7548218 12.15783 
1 1 1   24    6   12 o  579.339   10.325  909.192   32.318  895.270   45.279  923.649   46.141  574.822   14.577  583.856   14.625 -9.033875 20.64915 
1 1 1   24    6   13 o  563.804   10.079  860.542   30.691  839.865   42.588  882.883   44.268  556.774   14.155  570.833   14.351 -14.05908 20.15791 
1 1 1   24    6   14 o  570.508   8.9976  868.449   26.102  844.356   31.703  919.144   45.987  558.607   10.503  582.410   14.612 -23.80371 17.99517 
1 1 1   24    6   15 o  717.083   10.991  1367.80   39.552  1325.54   47.436  1464.19   71.642  699.670   12.547  734.496   18.050 -34.82617 21.98269 
1 1 1   24    6   16 o  365.364   6.5783  341.567   12.119  310.568   14.437  415.540   22.302  338.880   7.8840  391.847   10.533 -52.96631 13.15659 
1 1 1   24    6   17 o  314.713   7.3327  267.846   12.470   0.0000   0.0000  267.846   12.470  ?   ?   314.713   7.3327      ?      ? 
1 1 1   24    6   18 o  197.924   8.1193  108.868   6.4929  110.328   7.1439  101.937   15.567  201.997   6.5449  193.851   14.861 8.146439 16.23860 
1 1 1   24    6   19 o  447.387   9.1761  541.612   22.184   0.0000   0.0000  541.612   22.184  ?   ?   447.387   9.1761      ?      ? 
1 1 1   24    6   23 o  192.117   9.3343   99.957   9.6903   0.0000   0.0000   99.957   9.6903  ?   ?   192.117   9.3343      ?      ? 
1 1 1   24    6   25 o  476.276   13.118  616.216   33.760   0.0000   0.0000  616.216   33.760  ?   ?   476.276   13.118      ?      ? 
1 1 1   24    6   26 o  133.876   13.815   48.761   9.9944   0.0000   0.0000   48.761   9.9944  ?   ?   133.876   13.815      ?      ? 
1 1 1   24    6   27 o  127.410   14.885   44.257   10.248   0.0000   0.0000   44.257   10.248  ?   ?   127.410   14.885      ?      ? 
1 1 1   24    6   28 o  444.154   12.892  536.937   30.943   0.0000   0.0000  536.937   30.943  ?   ?   444.154   12.892      ?      ? 
1 1 1   24    6   34 o  134.342   30.374   54.302   21.532   0.0000   0.0000   54.302   21.532  ?   ?   134.342   30.374      ?      ? 
1 1 1   24    6   35 f  122.313   33.418   46.149   22.714   0.0000   0.0000   46.149   22.714  ?   ?   122.313   33.418      ?      ? 
1 1 1   24    6   38 o  458.107   13.119  579.279   32.476  579.279   32.476   0.0000   0.0000  458.107   13.119  ?   ?       ?      ? 
1 1 1   24    6   41 o   88.890   9.4702   21.667   4.5488   21.667   4.5488   0.0000   0.0000   88.890   9.4702  ?   ?       ?      ? 
1 1 1   24    6   42 o  189.840   6.6190   98.162   6.7900   98.162   6.7900   0.0000   0.0000  189.840   6.6190  ?   ?       ?      ? 
1 1 1   24    6   43 o   81.924   7.3553   18.618   3.2322   16.130   4.5836   21.078   4.5585   76.331   11.113   87.518   9.6391 -11.18665 14.71068 
1 1 1   24    6   44 o  287.213   7.0728  225.350   10.977   0.0000   0.0000  225.350   10.977  ?   ?   287.213   7.0728      ?      ? 
1 1 1   24    6   45 o  228.108   4.8141  141.764   5.9265  135.316   8.1376  149.046   8.6482  222.613   6.7649  233.603   6.8511 -10.98941 9.628127 
1 1 1   24    6   46 o  158.376   5.1126   68.463   4.3678   63.506   5.9964   74.067   6.3750  152.271   7.2877  164.480   7.1726 -12.20961 10.22529 
1 1 1   24    6   47 o  207.975   4.8773  118.302   5.4760  115.686   7.5505  121.204   7.9537  205.592   6.7965  210.358   6.9972 -4.765915 9.754629 
1 1 1   24    6   48 o   73.382   9.1700   15.239   3.5230   12.322   4.6876   19.025   5.3405   64.609   13.843   82.154   12.030 -17.54483 18.34009 
1 1 1   24    6   49 o   96.315   7.3869   25.893   3.8317   25.691   5.2035   26.133   5.6633   96.027   10.028   96.602   10.849 -0.5745926 14.77382 
1 1 1   24    6   50 o  107.710   7.0295   32.320   4.0795   31.028   5.5234   33.871   6.0513  105.438   9.6943  109.982   10.182 -4.543427 14.05905 
1 1 1   24    6   51 o  200.229   5.2648  110.187   5.6799  104.634   7.6849  116.874   8.4322  194.774   7.3016  205.684   7.5867 -10.91013 10.52960 
1 1 1   24    6   52 o   39.030   11.256   2.1593   3.9133   4.8237   5.2655  -1.1283   5.8489   43.557   16.418   34.503   15.402 9.053978 22.51131 
1 1 1   24    6   54 o   26.623   12.930  -8.5633   5.8578   0.0000   0.0000  -8.5633   5.8578  ?   ?    26.623   12.930      ?      ? 
1 1 1   24    6   55 o   50.656   11.598   6.3543   4.3438  -1.1165   5.9215   15.058   6.3916   33.974   15.305   67.338   17.430 -33.36453 23.19588 
1 1 1   24    6   56 o  106.736   8.3820   33.322   4.8107   29.346   6.5000   38.138   7.1537   99.581   12.080  113.891   11.624 -14.31010 16.76404 
1 1 1   24    7    0 o  614.218   7.8671  1020.52   26.107  1002.85   36.544  1038.94   37.310  608.791   11.109  619.646   11.143 -10.85553 15.73422 
1 1 1   24    7    1 o  514.955   9.6689  717.274   26.905   0.0000   0.0000  717.274   26.905  ?   ?   514.955   9.6689      ?      ? 
1 1 1   24    7    2 o  860.636   10.558  2006.25   49.093  1980.90   68.794  2032.55   70.081  855.104   14.888  866.169   14.973 -11.06433 21.11510 
1 1 1   24    7    3 o  507.625   8.2020  697.233   21.302  697.748   36.580  696.969   26.203  507.633   13.335  507.617   9.5528 0.1611328E-01 16.40395 
1 1 1   24    7    4 o  905.863   11.076  2219.31   54.138  2146.12   74.184  2302.69   79.185  889.959   15.426  921.768   15.898 -31.80835 22.15178 
1 1 1   24    7    5 o  460.826   7.6537  568.661   18.120  555.990   22.272  593.468   31.162  453.407   9.0902  468.245   12.316 -14.83789 15.30739 
1 1 1   24    7    6 o  256.517   7.5539  177.904   10.471  177.904   10.471   0.0000   0.0000  256.517   7.5539  ?   ?       ?      ? 
1 1 1   24    7    7 o  245.454   5.2412  163.562   6.9229  151.165   9.9836  175.044   9.6081  236.450   7.8138  254.459   6.9877 -18.00963 10.48248 
1 1 1   24    7    8 f  149.851   6.1764   61.223   4.9577   55.687   7.2922   65.982   6.7605  143.489   9.4048  156.213   8.0090 -12.72383 12.35289 
1 1 1   24    7    9 o  671.779   11.999  1221.48   43.556   0.0000   0.0000  1221.48   43.556  ?   ?   671.779   11.999      ?      ? 
1 1 1   24    7   10 o  376.573   5.9560  384.361   12.077  371.732   17.667  395.439   16.547  370.736   8.8190  382.410   8.0075 -11.67334 11.91193 
1 1 1   24    7   11 o  107.916   8.2951   34.922   4.3480   20.640   6.8224   44.691   5.6424   87.278   14.466  128.554   8.1224 -41.27572 16.59018 
1 1 1   24    7   12 o  700.738   10.676  1331.29   38.305  1329.50   65.631  1332.20   47.173  700.031   17.350  701.445   12.446 -1.414246 21.35236 
1 1 1   24    7   13 o  523.362   13.478  741.892   38.116  741.892   38.116   0.0000   0.0000  523.362   13.478  ?   ?       ?      ? 
1 1 1   24    7   14 o  684.268   12.003  1226.97   43.234  1092.79   54.227  1461.04   71.623  634.858   15.807  733.677   18.066 -98.81903 24.00506 
1 1 1   24    7   15 o  459.724   8.4853  572.311   21.078  569.369   29.880  575.225   29.740  458.543   12.059  460.905   11.941 -2.362030 16.97066 
1 1 1   24    7   16 o  589.111   10.440  937.797   33.149  895.946   44.967  987.613   49.059  574.810   14.477  603.412   15.046 -28.60175 20.87979 
1 1 1   24    7   17 o  264.898   5.8636  188.452   8.3626  172.365   11.274  208.131   12.469  252.421   8.2653  277.374   8.3193 -24.95290 11.72711 
1 1 1   24    7   18 o  289.636   6.0235  224.810   9.3750  207.275   12.480  247.523   14.203  276.802   8.3436  302.469   8.6900 -25.66650 12.04702 
1 1 1   24    7   27 o  176.041   19.158   85.068   18.224   0.0000   0.0000   85.068   18.224  ?   ?   176.041   19.158      ?      ? 
1 1 1   24    7   28 o  241.820   14.794  159.640   19.332   0.0000   0.0000  159.640   19.332  ?   ?   241.820   14.794      ?      ? 
1 1 1   24    7   29 o  251.535   14.252  172.815   19.371   0.0000   0.0000  172.815   19.371  ?   ?   251.535   14.252      ?      ? 
1 1 1   24    7   31 o   59.270   20.702   8.7770   8.1608   0.0000   0.0000   8.7770   8.1608  ?   ?    59.270   20.702      ?      ? 
1 1 1   24    7   34 f   81.373   18.942   19.170   8.1728   0.0000   0.0000   19.170   8.1728  ?   ?    81.373   18.942      ?      ? 
1 1 1   24    7   38 o   88.500   13.536   23.320   6.3189   26.554   8.2525   18.736   9.8239   97.555   15.655   79.446   22.086 18.10883 27.07128 
1 1 1   24    7   39 o  173.104   6.0141   76.743   4.6578   91.036   10.323   73.089   5.2192  182.137   10.489  164.070   5.8869 18.06775 12.02816 
1 1 1   24    7   40 o  132.818   4.9147   48.637   3.4775   40.391   5.0114   56.297   4.8296  121.720   7.6192  143.917   6.2103 -22.19789 9.829492 
1 1 1   24    7   41 o  168.375   6.3163   77.143   5.7468   0.0000   0.0000   77.143   5.7468  ?   ?   168.375   6.3163      ?      ? 
1 1 1   24    7   42 f  126.609   5.1632   43.759   3.5266   43.548   5.1301   43.947   4.8559  126.282   7.5179  126.936   7.0794 -0.6535645 10.32649 
1 1 1   24    7   43 o   96.408   6.2992   25.453   3.2752   27.734   4.7769   23.430   4.4993  100.489   8.7970   92.326   9.0186 8.163567 12.59850 
1 1 1   24    7   44 o   91.254   6.6363   22.942   3.2716   23.022   4.6807   22.865   4.5747   91.392   9.4780   91.116   9.2913 0.2763443 13.27252 
1 1 1   24    7   45 o   62.286   9.5649   11.335   3.1273   11.707   4.4264   10.965   4.4190   63.372   13.348   61.199   13.704 2.173431 19.12977 
1 1 1   24    7   46 o   67.245   9.2059   13.155   3.2232   14.153   4.5887   12.183   4.5284   69.957   12.602   64.534   13.423 5.423676 18.41186 
1 1 1   24    7   47 o  137.657   5.4346   52.183   4.0339   55.451   5.6650   48.822   5.7455  142.130   7.3761  133.184   7.9833 8.946060 10.86922 
1 1 1   24    7   48 o  139.660   8.1543   53.740   6.1538   0.0000   0.0000   53.740   6.1538  ?   ?   139.660   8.1543      ?      ? 
1 1 1   24    7   49 o  116.907   6.4050   37.530   4.0224   32.746   5.3967   43.510   6.0334  108.565   9.1992  125.248   8.9146 -16.68277 12.81001 
1 1 1   24    7   50 o   89.197   8.0789   22.327   3.8795   20.515   5.2243   24.555   5.7926   85.219   11.345   93.175   11.505 -7.956230 16.15776 
1 1 1   24    7   51 o   60.492   10.888   11.682   3.8461   16.604   5.2043   5.7583   5.7092   74.644   13.395   46.340   17.168 28.30392 21.77509 
1 1 1   24    7   52 f  165.123   5.7891   75.305   5.1499   68.834   6.9856   83.009   7.6221  157.384   8.2140  172.863   8.1599 -15.47855 11.57820 
1 1 1   24    7   53 o  130.013   10.317   47.702   7.2485   0.0000   0.0000   47.702   7.2485  ?   ?   130.013   10.317      ?      ? 
1 1 1   24    7   54 o   56.321   12.347   10.240   4.2070   7.4466   5.6072   13.837   6.3636   48.630   17.148   64.013   17.768 -15.38265 24.69349 
1 1 1   24    7   55 o  107.555   8.2489   34.718   4.6092   42.034   6.2670   26.099   6.8027  121.585   9.5387   93.525   13.461 28.06072 16.49779 
1 1 1   24    7   56 o   43.917   12.041   5.2647   4.2316   7.5702   5.6589   2.3402   6.3735   48.465   17.212   39.369   16.844 9.096291 24.08248 
1 1 1   24    8    2 o  836.856   14.539  1896.94   65.746   0.0000   0.0000  1896.94   65.746  ?   ?   836.856   14.539      ?      ? 
1 1 1   24    8    4 o  787.847   11.787  1707.52   48.714  1570.72   77.166  1798.16   62.812  760.876   18.768  814.818   14.266 -53.94153 23.57448 
1 1 1   24    8    5 o  577.065   14.641  902.027   45.654   0.0000   0.0000  902.027   45.654  ?   ?   577.065   14.641      ?      ? 
1 1 1   24    8    6 o  176.714   9.2221   84.459   8.8062   0.0000   0.0000   84.459   8.8062  ?   ?   176.714   9.2221      ?      ? 
1 1 1   24    8    7 o  813.213   14.219  1791.33   62.483   0.0000   0.0000  1791.33   62.483  ?   ?   813.213   14.219      ?      ? 
1 1 1   24    8    9 o  853.138   10.550  1964.09   48.488  1871.06   65.542  2076.57   72.066  830.971   14.596  875.305   15.236 -44.33374 21.09983 
1 1 1   24    8   10 o  423.949   8.6027  486.102   19.708   0.0000   0.0000  486.102   19.708  ?   ?   423.949   8.6027      ?      ? 
1 1 1   24    8   11 o  407.334   6.2188  448.673   13.676  423.568   19.171  474.687   19.515  395.725   8.9655  418.942   8.6206 -23.21680 12.43759 
1 1 1   24    8   12 f  853.208   10.541  1972.91   48.597  1968.20   68.854  1977.58   68.601  852.186   14.952  854.230   14.862 -2.043274 21.08170 
1 1 1   24    8   14 o   78.677   8.8168   16.506   3.6978   18.314   5.8287   15.289   4.7837   82.214   13.120   75.139   11.782 7.074951 17.63364 
1 1 1   24    8   16 o  499.976   6.8622  673.248   18.492  629.918   25.082  724.842   27.369  482.446   9.6211  517.506   9.7873 -35.06042 13.72431 
1 1 1   24    8   18 f  238.373   4.8323  157.845   6.0379  132.275   9.2743  176.656   7.9546  221.129   7.7615  255.617   5.7589 -34.48845 9.664697 
1 1 1   24    8   19 o  126.718   8.2396   43.454   5.6420   0.0000   0.0000   43.454   5.6420  ?   ?   126.718   8.2396      ?      ? 
1 1 1   24    8   23 o  216.593   8.8427  127.056   10.349   0.0000   0.0000  127.056   10.349  ?   ?   216.593   8.8427      ?      ? 
1 1 1   24    8   24 o   73.882   19.399   15.484   7.8439   0.0000   0.0000   15.484   7.8439  ?   ?    73.882   19.399      ?      ? 
1 1 1   24    8   25 o   47.383   19.235   2.5471   7.6923   0.0000   0.0000   2.5471   7.6923  ?   ?    47.383   19.235      ?      ? 
1 1 1   24    8   26 o  205.290   9.2115  114.282   10.218   0.0000   0.0000  114.282   10.218  ?   ?   205.290   9.2115      ?      ? 
1 1 1   24    8   29 o  365.861   8.7967  363.354   17.391   0.0000   0.0000  363.354   17.391  ?   ?   365.861   8.7967      ?      ? 
1 1 1   24    8   30 o  167.561   10.644   76.409   9.6372   0.0000   0.0000   76.409   9.6372  ?   ?   167.561   10.644      ?      ? 
1 1 1   24    8   33 o  117.181   14.327   37.764   9.0722   0.0000   0.0000   37.764   9.0722  ?   ?   117.181   14.327      ?      ? 
1 1 1   24    8   34 o  308.552   8.6982  259.070   14.503   0.0000   0.0000  259.070   14.503  ?   ?   308.552   8.6982      ?      ? 
1 1 1   24    8   37 o   99.675   15.498   27.674   8.3473   0.0000   0.0000   27.674   8.3473  ?   ?    99.675   15.498      ?      ? 
1 1 1   24    8   38 o  167.476   8.1125   77.805   7.2718   83.559   9.8830   71.014   10.738  174.533   10.479  160.420   12.387 14.11272 16.22502 
1 1 1   24    8   39 o  255.277   7.5391  179.359   10.381  187.883   14.513  170.428   14.855  261.654   10.265  248.900   11.045 12.75436 15.07826 
1 1 1   24    8   40 o   62.293   8.0082   10.498   2.5050   12.191   4.3772   9.6739   3.0547   65.202   12.880   59.384   9.5195 5.818348 16.01635 
1 1 1   24    8   41 o  116.452   5.4653   37.058   3.3810   36.981   5.2840   37.111   4.3995  116.231   8.4130  116.672   6.9783 -0.4402695 10.93052 
1 1 1   24    8   42 o  171.102   4.7340   79.417   4.3658   87.126   6.4286   72.818   5.9477  178.780   6.6545  163.424   6.7352 15.35593 9.468082 
1 1 1   24    8   43 o   83.827   7.0751   19.474   3.1642   18.964   4.8385   19.855   4.1825   82.709   10.826   84.946   9.1118 -2.236870 14.15023 
1 1 1   24    8   44 o   73.153   8.6202   15.551   3.2268   13.165   4.9427   17.324   4.2599   67.140   14.074   79.167   9.9580 -12.02661 17.24036 
1 1 1   24    8   45 o  112.824   6.1957   35.461   3.7330   30.595   5.4234   39.841   5.1461  105.184   9.5419  120.465   7.9055 -15.28112 12.39131 
1 1 1   24    8   46 o  222.107   6.7919  135.013   8.1516   0.0000   0.0000  135.013   8.1516  ?   ?   222.107   6.7919      ?      ? 
1 1 1   24    8   47 o   38.286   10.105   1.3824   3.3003   7.0827   4.7382  -3.9890   4.5995   49.455   15.746   27.116   12.671 22.33928 20.21065 
1 1 1   24    8   48 o  146.815   5.5349   59.319   4.3901   58.663   6.1354   60.008   6.2844  146.000   7.7769  147.629   7.8777 -1.629395 11.06970 
1 1 1   24    8   49 o   90.297   8.2530   23.134   3.9725   27.975   5.7193   18.621   5.5217   99.808   10.604   80.786   12.649 19.02267 16.50599 
1 1 1   24    8   50 o   76.214   10.133   17.357   4.0185   17.813   5.6399   16.887   5.7270   77.413   13.998   75.015   14.654 2.397430 20.26501 
1 1 1   24    8   51 o   41.073   11.733   2.7872   4.1465   5.5075   5.8782   0.0929   5.8500   45.939   17.339   36.207   15.812 9.731430 23.46629 
1 1 1   24    8   52 o  204.064   5.4958  114.925   6.0473  109.896   8.2320  120.820   8.9130  199.311   7.6434  208.816   7.8990 -9.505219 10.99158 
1 1 1   24    8   53 o   38.234   11.367   1.3080   4.1358   4.1438   5.6819  -1.8875   6.0316   42.598   16.784   33.870   15.335 8.728573 22.73424 
1 1 1   24    8   54 o   52.047   12.332   8.3796   4.2667   4.7403   5.7863   12.716   6.3164   42.897   16.926   61.197   17.940 -18.30006 24.66411 
1 1 1   24    8   55 o  109.973   7.8384   35.217   4.6427   36.502   6.4015   33.791   6.7433  112.469   10.533  107.477   11.611 4.992058 15.67683 
1 1 1   24    9    0 o  137.595   7.6125   50.635   5.6248   56.760   8.5544   45.971   7.4657  144.837   10.930  130.353   10.599 14.48409 15.22507 
1 1 1   24    9    1 o  1134.28   13.734  3490.60   84.154  3434.40  117.370  3550.07  120.726  1124.91   19.309  1143.64   19.535 -18.72729 27.46729 
1 1 1   24    9    2 o  416.411   6.2209  469.247   13.987  458.804   20.034  479.178   19.537  411.879   9.0013  420.943   8.5892 -9.064301 12.44173 
1 1 1   24    9    3 o  986.853   12.031  2638.29   64.116  2575.71   88.730  2706.67   92.752  974.652   16.847  999.053   17.181 -24.40131 24.06285 
1 1 1   24    9    4 f  641.626   9.9892  1113.92   32.714  1118.92   56.499  1111.40   40.124  642.439   16.275  640.813   11.587 1.625488 19.97850 
1 1 1   24    9    5 o  165.716   6.9420   76.318   5.9643   66.329   9.5510   82.703   7.6362  156.551   11.290  174.882   8.0806 -18.33061 13.88403 
1 1 1   24    9    6 o  745.656   11.366  1502.84   43.338  1493.20   53.207  1521.85   74.703  742.529   13.261  748.783   18.463 -6.254211 22.73146 
1 1 1   24    9    7 o  325.910   6.5595  282.570   11.256  267.474   14.222  307.883   18.416  314.487   8.3689  337.333   10.103 -22.84634 13.11900 
1 1 1   24    9   10 f  441.141   6.3856  525.405   15.207  497.489   21.014  556.101   22.035  428.859   9.0678  453.423   8.9934 -24.56436 12.77129 
1 1 1   24    9   12 o  685.701   12.302  1273.47   45.583   0.0000   0.0000  1273.47   45.583  ?   ?   685.701   12.302      ?      ? 
1 1 1   24    9   15 o  483.085   9.3952  631.536   24.525   0.0000   0.0000  631.536   24.525  ?   ?   483.085   9.3952      ?      ? 
1 1 1   24    9   16 o   98.953   6.9594   26.283   3.7004   28.558   5.6064   24.527   4.9257  102.711   10.101   95.195   9.5756 7.515411 13.91872 
1 1 1   24    9   17 o  142.251   5.4116   53.831   4.1174   65.945   6.2571   44.580   5.4680  156.136   7.4162  128.366   7.8830 27.77020 10.82326 
1 1 1   24    9   18 o  529.368   8.3132  758.292   22.540  764.189   38.680  755.261   27.735  530.639   13.490  528.098   9.7192 2.541382 16.62637 
1 1 1   24    9   19 o  124.817   5.5111   42.126   3.7170   0.0000   0.0000   42.126   3.7170  ?   ?   124.817   5.5111      ?      ? 
1 1 1   24    9   20 o  426.687   8.6689  492.908   19.988   0.0000   0.0000  492.908   19.988  ?   ?   426.687   8.6689      ?      ? 
1 1 1   24    9   22 o   83.443   19.173   19.779   8.4637   0.0000   0.0000   19.779   8.4637  ?   ?    83.443   19.173      ?      ? 
1 1 1   24    9   23 o  349.988   8.6093  331.827   16.282   0.0000   0.0000  331.827   16.282  ?   ?   349.988   8.6093      ?      ? 
1 1 1   24    9   24 o  279.951   8.3685  212.339   12.660   0.0000   0.0000  212.339   12.660  ?   ?   279.951   8.3685      ?      ? 
1 1 1   24    9   27 o  216.437   9.2095  127.130   10.771   0.0000   0.0000  127.130   10.771  ?   ?   216.437   9.2095      ?      ? 
1 1 1   24    9   28 o   75.131   20.243   16.157   8.4034   0.0000   0.0000   16.157   8.4034  ?   ?    75.131   20.243      ?      ? 
1 1 1   24    9   29 o  125.721   13.053   43.171   8.8677   0.0000   0.0000   43.171   8.8677  ?   ?   125.721   13.053      ?      ? 
1 1 1   24    9   30 o   39.997   17.914  -3.3401   7.9825   0.0000   0.0000  -3.3401   7.9825  ?   ?    39.997   17.914      ?      ? 
1 1 1   24    9   33 f  164.678   11.115   74.119   9.8910   0.0000   0.0000   74.119   9.8910  ?   ?   164.678   11.115      ?      ? 
1 1 1   24    9   36 o  120.399   13.961   40.118   9.0827   0.0000   0.0000   40.118   9.0827  ?   ?   120.399   13.961      ?      ? 
1 1 1   24    9   38 o  311.639   7.7029  265.433   12.926  298.198   19.034  237.387   17.610  329.485   10.691  293.792   11.093 35.69327 15.40578 
1 1 1   24    9   39 o  204.802   7.7308  114.644   8.5150  106.914   11.384  124.459   12.829  197.112   10.688  212.492   11.173 -15.38060 15.46165 
1 1 1   24    9   40 o   29.204   8.8903   0.0146   2.3221   0.0292   4.3578   0.0088   2.7441   32.482   13.913   25.927   11.071 6.554695 17.78064 
1 1 1   24    9   41 o  125.750   6.6640   43.091   4.5282   0.0000   0.0000   43.091   4.5282  ?   ?   125.750   6.6640      ?      ? 
1 1 1   24    9   42 o  124.037   5.5038   41.352   3.6214   46.039   5.8106   38.375   4.6306  129.568   8.2992  118.505   7.2313 11.06373 11.00766 
1 1 1   24    9   43 o  174.859   6.6696   83.442   6.3019   0.0000   0.0000   83.442   6.3019  ?   ?   174.859   6.6696      ?      ? 
1 1 1   24    9   44 o  104.732   6.4614   30.148   3.6054   30.876   5.6134   29.637   4.7039  105.635   9.8340  103.829   8.3840 1.806122 12.92281 
1 1 1   24    9   45 o  109.627   6.5687   33.846   3.8091   29.188   5.7403   37.512   5.0917  102.453   10.369  116.802   8.0673 -14.34937 13.13739 
1 1 1   24    9   46 o   66.897   9.8561   12.620   3.5185   18.209   5.4050   8.5089   4.6351   80.272   12.461   53.522   15.274 26.75072 19.71220 
1 1 1   24    9   47 o  101.043   7.0957   28.214   3.8526   32.747   5.6900   24.377   5.2351  108.583   9.6976   93.504   10.361 15.07890 14.19140 
1 1 1   24    9   48 o   62.230   11.047   11.617   3.7671   14.985   5.5018   8.6448   5.1687   70.756   14.862   53.704   16.347 17.05212 22.09328 
1 1 1   24    9   49 o  116.164   6.9171   37.781   4.3264   34.260   6.1248   41.288   6.1121  110.562   10.252  121.766   9.2891 -11.20404 13.83420 
1 1 1   24    9   50 o  100.860   8.1811   29.187   4.4310   25.616   6.2626   32.766   6.2701   94.304   12.290  107.416   10.802 -13.11154 16.36225 
1 1 1   24    9   51 o   83.832   10.687   21.422   4.6055   30.280   6.6644   13.324   6.3719  102.784   11.999   64.880   17.689 37.90396 21.37431 
1 1 1   24    9   52 o   89.993   10.431   24.632   4.7448   33.586   6.7854   16.064   6.6373  108.501   11.573   71.485   17.357 37.01615 20.86123 
1 1 1   24    9   53 o  159.895   9.0586   72.746   7.8268   0.0000   0.0000   72.746   7.8268  ?   ?   159.895   9.0586      ?      ? 
1 1 1   24    9   54 o   97.150   8.9688   27.795   4.6951   25.122   6.4854   30.740   6.8059   92.016   13.043  102.284   12.314 -10.26826 17.93756 
1 1 1   24    9   55 o  105.073   12.404   33.105   7.0427   0.0000   0.0000   33.105   7.0427  ?   ?   105.073   12.404      ?      ? 
1 1 1   24   10    0 o  402.174   7.9912  453.765   16.169  391.441   27.519  486.625   19.982  380.172   13.395  424.176   8.7176 -44.00388 15.98236 
1 1 1   24   10    1 f  550.363   7.3978  819.668   21.998  815.002   31.327  824.206   30.896  548.810   10.564  551.916   10.360 -3.106384 14.79567 
1 1 1   24   10    2 o  762.334   9.5564  1573.26   39.354  1540.49   54.836  1608.06   56.513  754.161   13.456  770.507   13.573 -16.34619 19.11272 
1 1 1   24   10    3 o  315.919   7.7123  269.876   13.166   0.0000   0.0000  269.876   13.166  ?   ?   315.919   7.7123      ?      ? 
1 1 1   24   10    4 o  531.586   10.104  764.566   29.023   0.0000   0.0000  764.566   29.023  ?   ?   531.586   10.104      ?      ? 
1 1 1   24   10    5 o  401.766   7.1742  440.893   14.979  421.171   24.560  452.573   18.901  394.462   11.522  409.070   8.5505 -14.60773 14.34832 
1 1 1   24   10    6 o  380.196   11.186  391.216   22.980  391.216   22.980   0.0000   0.0000  380.196   11.186  ?   ?       ?      ? 
1 1 1   24   10    7 o  245.574   6.2290  163.825   8.2242  172.334   11.274  154.144   12.024  252.436   8.2646  238.711   9.3218 13.72435 12.45794 
1 1 1   24   10    8 o  313.326   5.6731  265.704   9.5966  254.301   13.627  276.922   13.516  306.644   8.2241  320.007   7.8165 -13.36270 11.34614 
1 1 1   24   10    9 o  527.215   10.095  752.160   28.760   0.0000   0.0000  752.160   28.760  ?   ?   527.215   10.095      ?      ? 
1 1 1   24   10   10 o  613.628   11.301  1019.51   37.472   0.0000   0.0000  1019.51   37.472  ?   ?   613.628   11.301      ?      ? 
1 1 1   24   10   11 o  359.105   8.0414  348.818   15.604   0.0000   0.0000  348.818   15.604  ?   ?   359.105   8.0414      ?      ? 
1 1 1   24   10   12 f  461.153   9.1797  575.456   22.875   0.0000   0.0000  575.456   22.875  ?   ?   461.153   9.1797      ?      ? 
1 1 1   24   10   13 o  295.354   7.6497  235.941   12.209   0.0000   0.0000  235.941   12.209  ?   ?   295.354   7.6497      ?      ? 
1 1 1   24   10   14 o  224.423   5.2935  136.419   6.3986  133.601   9.3821  138.870   8.7491  222.242   7.8124  226.604   7.1451 -4.361710 10.58704 
1 1 1   24   10   16 o  513.940   7.0333  714.362   19.519  686.806   27.024  744.418   28.224  503.594   9.9309  524.287   9.9622 -20.69263 14.06656 
1 1 1   24   10   17 o  655.156   8.4387  1161.57   29.839  1116.33   40.985  1212.60   43.528  641.632   11.821  668.681   12.046 -27.04901 16.87745 
1 1 1   24   10   18 o  207.224   4.9485  116.030   5.3593  116.734   8.7882  115.613   6.7622  207.689   7.8306  206.758   6.0525 0.9313660 9.897049 
1 1 1   24   10   19 o  558.820   7.3359  844.994   22.152   0.0000   0.0000  844.994   22.152  ?   ?   558.820   7.3359      ?      ? 
1 1 1   24   10   20 o  331.374   7.9449  297.241   14.226   0.0000   0.0000  297.241   14.226  ?   ?   331.374   7.9449      ?      ? 
1 1 1   24   10   21 o  202.089   6.2305  110.482   6.8038   0.0000   0.0000  110.482   6.8038  ?   ?   202.089   6.2305      ?      ? 
1 1 1   24   10   22 o  388.641   7.8735  409.021   16.535   0.0000   0.0000  409.021   16.535  ?   ?   388.641   7.8735      ?      ? 
1 1 1   24   10   25 o  185.344   9.8023   93.238   9.8174   0.0000   0.0000   93.238   9.8174  ?   ?   185.344   9.8023      ?      ? 
1 1 1   24   10   28 o  205.926   9.5520  115.242   10.629   0.0000   0.0000  115.242   10.629  ?   ?   205.926   9.5520      ?      ? 
1 1 1   24   10   29 f   74.248   20.796   15.763   8.6757   0.0000   0.0000   15.763   8.6757  ?   ?    74.248   20.796      ?      ? 
1 1 1   24   10   31 o  114.990   14.287   36.345   8.8774   0.0000   0.0000   36.345   8.8774  ?   ?   114.990   14.287      ?      ? 
1 1 1   24   10   33 o  105.935   16.098   31.097   9.2150   0.0000   0.0000   31.097   9.2150  ?   ?   105.935   16.098      ?      ? 
1 1 1   24   10   35 o  164.480   11.225   74.219   9.9764   0.0000   0.0000   74.219   9.9764  ?   ?   164.480   11.225      ?      ? 
1 1 1   24   10   36 o  154.491   11.814   65.705   9.8622   0.0000   0.0000   65.705   9.8622  ?   ?   154.491   11.814      ?      ? 
1 1 1   24   10   37 o  105.313   15.473   30.999   8.8055   0.0000   0.0000   30.999   8.8055  ?   ?   105.313   15.473      ?      ? 
1 1 1   24   10   38 o   42.355   18.657  -1.5155   8.3016   0.0000   0.0000  -1.5155   8.3016  ?   ?    42.355   18.657      ?      ? 
1 1 1   24   10   39 o  141.868   6.7346   50.893   4.0355   62.568   9.7299   48.467   4.4349  150.252   11.984  133.484   6.1485 16.76860 13.46915 
1 1 1   24   10   40 o   94.242   8.4751   20.479   3.3184   31.824   8.5512   18.468   3.6006  106.318   14.884   82.165   8.1096 24.15341 16.95017 
1 1 1   24   10   41 o   98.202   7.9066   26.401   4.1956   0.0000   0.0000   26.401   4.1956  ?   ?    98.202   7.9066      ?      ? 
1 1 1   24   10   42 o  117.131   7.4727   37.531   4.7297   0.0000   0.0000   37.531   4.7297  ?   ?   117.131   7.4727      ?      ? 
1 1 1   24   10   43 o   66.786   9.7749   14.627   3.4135   6.6480   5.5346   19.525   4.3365   49.481   17.062   84.090   9.5435 -34.60823 19.54979 
1 1 1   24   10   44 o   48.249   11.210   6.4878   3.3219   6.8938   5.3196   6.2282   4.2531   49.685   16.735   46.812   14.919 2.872490 22.41947 
1 1 1   24   10   45 o   65.674   10.283   12.315   3.5381   16.595   5.5550   9.3929   4.5893   75.167   14.197   56.181   14.881 18.98576 20.56647 
1 1 1   24   10   46 o   37.469   10.830   1.3760   3.4983   4.0522   5.4313  -0.5216   4.5734   43.024   16.563   31.913   13.958 11.11030 21.65971 
1 1 1   24   10   47 o   44.120   11.368   4.1707   3.6415   8.0158   5.5890   1.3343   4.8002   52.374   17.138   35.866   14.940 16.50736 22.73594 
1 1 1   24   10   48 o   41.031   11.206   3.2206   3.7471  -0.4688   5.6555   6.1075   5.0027   35.265   15.470   46.798   16.217 -11.53322 22.41193 
1 1 1   24   10   49 o   53.428   11.657   8.5109   4.0488   3.4848   5.9669   12.800   5.5119   42.394   17.035   64.461   15.919 -22.06683 23.31494 
1 1 1   24   10   50 o  104.920   8.3020   31.399   4.6715   36.969   6.8413   26.532   6.3942  113.911   11.114   95.928   12.335 17.98303 16.60397 
1 1 1   24   10   51 o  222.205   7.8751  136.771   9.4558   0.0000   0.0000  136.771   9.4558  ?   ?   222.205   7.8751      ?      ? 
1 1 1   24   10   52 o  145.512   9.1522   59.694   7.1964   0.0000   0.0000   59.694   7.1964  ?   ?   145.512   9.1522      ?      ? 
1 1 1   24   10   53 o   69.037   11.508   15.571   4.4931   9.6231   6.3590   21.501   6.3494   53.933   18.296   84.141   13.965 -30.20786 23.01651 
1 1 1   24   10   54 o   44.568   12.468   5.1524   4.4569   5.6379   6.1940   4.6311   6.4181   45.360   17.624   43.776   17.640 1.583607 24.93562 
1 1 1   24   11    0 o  377.505   9.4306  386.811   19.180  352.928   27.164  420.496   27.084  360.942   13.927  394.068   12.719 -33.12549 18.86120 
1 1 1   24   11    1 o  270.400   8.3306  194.618   10.167  203.964   21.670  191.981   11.512  274.354   14.617  266.446   7.9957 7.907623 16.66111 
1 1 1   24   11    2 o  265.038   5.9242  190.042   8.4505  189.205   12.509  190.745   11.461  264.489   8.7527  265.586   7.9859 -1.097717 11.84840 
1 1 1   24   11    3 o  159.547   7.3448   69.177   6.2871   66.086   9.3475   71.731   8.4960  156.261   11.070  162.832   9.6557 -6.571045 14.68951 
1 1 1   24   11    4 o  205.839   6.2856  114.981   6.9585  110.109   10.221  119.191   9.5003  201.747   9.3755  209.930   8.3748 -8.182068 12.57129 
1 1 1   24   11    5 o  431.611   6.4888  503.873   15.126  481.880   21.237  526.515   21.549  422.046   9.3121  441.176   9.0390 -19.13016 12.97756 
1 1 1   24   11    6 o  373.886   6.9364  383.796   13.632  352.477   21.468  404.958   17.647  360.843   11.010  386.928   8.4401 -26.08478 13.87283 
1 1 1   24   11    7 o  302.478   5.7467  247.879   9.3750  239.207   13.533  255.880   13.000  297.371   8.4216  307.586   7.8214 -10.21423 11.49338 
1 1 1   24   11    8 o  734.563   11.308  1448.73   42.070  1420.20   51.002  1509.46   74.417  723.925   13.038  745.201   18.480 -21.27588 22.61664 
1 1 1   24   11    9 o  536.800   7.3206  779.854   21.232  764.189   29.762  796.088   30.298  531.311   10.366  542.289   10.339 -10.97827 14.64119 
1 1 1   24   11   10 o  206.277   5.8189  115.458   6.4596  110.445   9.4479  119.859   8.8516  202.046   8.6536  210.508   7.7816 -8.461975 11.63776 
1 1 1   24   11   11 o  139.755   9.0643   52.850   6.8452   0.0000   0.0000   52.850   6.8452  ?   ?   139.755   9.0643      ?      ? 
1 1 1   24   11   12 o  176.676   5.9411   83.937   5.6473   89.798   8.4800   79.266   7.5701  182.178   8.6141  171.173   8.1843 11.00471 11.88213 
1 1 1   24   11   13 o  186.729   5.7122   92.908   5.7199  108.425   8.7285   81.229   7.5724  200.187   8.0689  173.270   8.0876 26.91687 11.42441 
1 1 1   24   11   14 o  297.157   5.5792  237.912   8.9295  251.099   13.292  227.066   12.055  304.619   8.0749  289.695   7.7009 14.92429 11.15835 
1 1 1   24   11   15 f  394.820   6.0851  421.820   12.976  403.839   18.179  440.498   18.528  386.236   8.7103  403.405   8.4996 -17.16833 12.17015 
1 1 1   24   11   16 o  207.739   7.4158  116.769   8.3246   0.0000   0.0000  116.769   8.3246  ?   ?   207.739   7.4158      ?      ? 
1 1 1   24   11   17 f  295.338   7.5436  236.035   12.039   0.0000   0.0000  236.035   12.039  ?   ?   295.338   7.5436      ?      ? 
1 1 1   24   11   18 o  279.117   7.4568  210.829   11.247   0.0000   0.0000  210.829   11.247  ?   ?   279.117   7.4568      ?      ? 
1 1 1   24   11   19 o  288.581   5.3333  225.206   8.3167   0.0000   0.0000  225.206   8.3167  ?   ?   288.581   5.3333      ?      ? 
1 1 1   24   11   20 o  317.815   5.3760  273.178   9.2326   0.0000   0.0000  273.178   9.2326  ?   ?   317.815   5.3760      ?      ? 
1 1 1   24   11   21 o  461.056   7.3821  575.546   18.392   0.0000   0.0000  575.546   18.392  ?   ?   461.056   7.3821      ?      ? 
1 1 1   24   11   22 o  188.137   4.8824   95.729   4.9636   0.0000   0.0000   95.729   4.9636  ?   ?   188.137   4.8824      ?      ? 
1 1 1   24   11   23 o  381.798   5.7126  394.425   11.786   0.0000   0.0000  394.425   11.786  ?   ?   381.798   5.7126      ?      ? 
1 1 1   24   11   24 o  245.414   4.7316  162.904   6.2747   0.0000   0.0000  162.904   6.2747  ?   ?   245.414   4.7316      ?      ? 
1 1 1   24   11   25 o  138.833   5.5993   52.166   4.2006   0.0000   0.0000   52.166   4.2006  ?   ?   138.833   5.5993      ?      ? 
1 1 1   24   11   26 o   89.547   18.278   22.881   8.5450   0.0000   0.0000   22.881   8.5450  ?   ?    89.547   18.278      ?      ? 
1 1 1   24   11   27 o  174.707   10.711   83.073   10.112   0.0000   0.0000   83.073   10.112  ?   ?   174.707   10.711      ?      ? 
1 1 1   24   11   28 o  138.723   12.308   52.522   9.2260   0.0000   0.0000   52.522   9.2260  ?   ?   138.723   12.308      ?      ? 
1 1 1   24   11   29 o  205.452   9.9118  114.890   11.004   0.0000   0.0000  114.890   11.004  ?   ?   205.452   9.9118      ?      ? 
1 1 1   24   11   30 o  120.393   13.860   39.807   9.0170   0.0000   0.0000   39.807   9.0170  ?   ?   120.393   13.860      ?      ? 
1 1 1   24   11   33 f  163.664   11.704   73.426   10.350   0.0000   0.0000   73.426   10.350  ?   ?   163.664   11.704      ?      ? 
1 1 1   24   11   34 o   36.739   17.271  -8.6821   8.7665   0.0000   0.0000  -8.6821   8.7665  ?   ?    36.739   17.271      ?      ? 
1 1 1   24   11   35 o  164.295   11.254   74.177   9.9915   0.0000   0.0000   74.177   9.9915  ?   ?   164.295   11.254      ?      ? 
1 1 1   24   11   36 o   98.998   17.863   28.421   9.2042   0.0000   0.0000   28.421   9.2042  ?   ?    98.998   17.863      ?      ? 
1 1 1   24   11   37 f  198.302   10.363  108.020   11.105   0.0000   0.0000  108.020   11.105  ?   ?   198.302   10.363      ?      ? 
1 1 1   24   11   38 o  154.528   6.0164   64.930   5.0238   0.0000   0.0000   64.930   5.0238  ?   ?   154.528   6.0164      ?      ? 
1 1 1   24   11   39 f  156.828   6.5561   67.779   3.7234   67.162   10.293   67.872   3.9938  155.485   12.251  158.171   4.6727 -2.685959 13.11215 
1 1 1   24   11   40 o   59.493   10.707   12.705   3.5192   0.1437   8.4031   15.377   3.8754   44.259   19.142   74.726   9.5975 -30.46753 21.41332 
1 1 1   24   11   41 o  259.906   6.6793  184.326   9.3806   0.0000   0.0000  184.326   9.3806  ?   ?   259.906   6.6793      ?      ? 
1 1 1   24   11   42 f  124.164   5.9486   42.330   3.8851   42.429   6.2537   42.268   4.9579  124.047   9.3296  124.280   7.3826 -0.2330322 11.89721 
1 1 1   24   11   43 o   55.600   10.994   8.7688   3.3343   10.877   5.5615   7.5857   4.1660   60.310   16.560   50.890   14.466 9.420399 21.98847 
1 1 1   24   11   44 o  120.950   6.2223   40.042   3.9981   42.252   6.3251   38.572   5.1596  123.498   9.4781  118.402   8.0643 5.095909 12.44458 
1 1 1   24   11   45 o   70.292   9.8167   13.703   3.6148   18.902   5.7887   10.380   4.6281   81.563   13.134   59.021   14.593 22.54143 19.63346 
1 1 1   24   11   46 o  126.778   6.4452   45.253   4.3280   39.821   6.5464   49.471   5.7685  119.536   10.135  134.020   7.9654 -14.48332 12.89041 
1 1 1   24   11   47 o   44.511   11.515   4.3821   3.6651   8.0090   5.7842   1.9491   4.7375   52.260   17.451   36.762   15.029 15.49758 23.03049 
1 1 1   24   11   48 o   71.087   11.224   15.402   4.1670   15.413   6.3928   15.395   5.4948   70.591   16.969   71.583   14.698 -0.9921265 22.44901 
1 1 1   24   11   49 o  139.793   8.9123   54.686   6.7323   0.0000   0.0000   54.686   6.7323  ?   ?   139.793   8.9123      ?      ? 
1 1 1   24   11   50 o  115.297   8.0625   38.829   4.8603   29.340   7.0849   47.265   6.6799  100.740   13.015  129.854   9.5198 -29.11349 16.12495 
1 1 1   24   11   51 o   58.802   13.008   10.913   4.5860   12.029   6.7472   9.9540   6.2523   61.247   18.684   56.357   18.103 4.889847 26.01558 
1 1 1   24   11   52 o   48.590   12.723   7.3499   4.4717   5.9926   6.5471   8.5367   6.1220   46.088   18.061   51.093   17.926 -5.004490 25.44663 
1 1 1   24   11   53 o   51.631   12.715   8.3252   4.4596   5.8347   6.4300   10.634   6.1904   46.398   17.977   56.863   17.986 -10.46543 25.42952 
1 1 1   24   11   54 o   57.530   12.572   11.256   4.4522   15.024   6.4241   7.7731   6.1760   66.089   17.654   48.970   17.904 17.11975 25.14356 
1 1 1   24   12    0 o  389.512   9.6912  412.178   20.348  388.964   29.229  434.009   28.345  378.793   14.280  400.231   13.106 -21.43781 19.38248 
1 1 1   24   12    1 o  169.109   13.532   79.524   11.949   69.910   18.863   85.968   15.443  160.224   21.787  177.995   16.056 -17.77145 27.06420 
1 1 1   24   12    2 o  309.634   9.7725  260.659   16.190  254.054   24.517  265.766   21.558  306.069   14.824  313.198   12.738 -7.128723 19.54498 
1 1 1   24   12    3 o  517.960   10.002  726.127   27.995   0.0000   0.0000  726.127   27.995  ?   ?   517.960   10.002      ?      ? 
1 1 1   24   12    4 o  182.646   6.7564   90.101   6.6507   92.619   9.8216   87.970   9.0382  184.989   9.8254  180.303   9.2766 4.685379 13.51273 
1 1 1   24   12    5 o  648.556   8.4544  1138.69   29.620  1107.92   41.282  1171.33   42.524  639.535   11.946  657.578   11.967 -18.04279 16.90889 
1 1 1   24   12    6 o  424.660   6.4944  488.209   14.892  481.213   21.380  494.803   20.755  421.690   9.3826  427.631   8.9820 -5.941193 12.98881 
1 1 1   24   12    7 o  270.732   6.5157  200.555   9.3511  185.743   14.406  211.340   12.293  261.952   10.177  279.513   8.1388 -17.56091 13.03145 
1 1 1   24   12    8 o  347.671   10.566  327.252   19.850   0.0000   0.0000  327.252   19.850  ?   ?   347.671   10.566      ?      ? 
1 1 1   24   12    9 o  652.133   16.407  1154.95   57.816   0.0000   0.0000  1154.95   57.816  ?   ?   652.133   16.407      ?      ? 
1 1 1   24   12   11 o  392.406   6.2168  416.683   13.175  398.037   18.487  435.925   18.781  383.477   8.9217  401.334   8.6600 -17.85706 12.43350 
1 1 1   24   12   12 o  151.924   6.5185   62.555   5.3439   61.086   7.7088   63.914   7.4146  150.195   9.4982  153.652   8.9301 -3.457108 13.03703 
1 1 1   24   12   13 o  292.750   7.7228  231.914   12.217   0.0000   0.0000  231.914   12.217  ?   ?   292.750   7.7228      ?      ? 
1 1 1   24   12   14 o  115.775   7.3750   36.238   4.6086   38.485   6.6982   34.218   6.3507  119.177   10.401  112.373   10.459 6.803818 14.75003 
1 1 1   24   12   15 o  373.927   6.0930  378.633   12.304  362.161   17.349  395.302   17.453  365.729   8.7785  382.126   8.4521 -16.39740 12.18608 
1 1 1   24   12   16 o   87.983   8.7470   21.164   4.1171   24.425   5.7971   17.846   5.8483   94.904   11.304   81.062   13.351 13.84146 17.49393 
1 1 1   24   12   17 o  479.140   7.3267  632.318   17.323  597.523   31.345  647.619   20.786  469.160   12.364  489.119   7.8644 -19.95911 14.65339 
1 1 1   24   12   18 o  364.401   6.7895  359.336   13.369   0.0000   0.0000  359.336   13.369  ?   ?   364.401   6.7895      ?      ? 
1 1 1   24   12   19 f  258.814   8.5099  181.475   11.901   0.0000   0.0000  181.475   11.901  ?   ?   258.814   8.5099      ?      ? 
1 1 1   24   12   20 o  390.317   5.9481  412.214   12.545   0.0000   0.0000  412.214   12.545  ?   ?   390.317   5.9481      ?      ? 
1 1 1   24   12   21 o  126.612   6.5680   43.393   4.4936   0.0000   0.0000   43.393   4.4936  ?   ?   126.612   6.5680      ?      ? 
1 1 1   24   12   22 o  421.442   6.1361  480.730   13.974   0.0000   0.0000  480.730   13.974  ?   ?   421.442   6.1361      ?      ? 
1 1 1   24   12   23 o   79.823   8.1967   17.275   3.5356   0.0000   0.0000   17.275   3.5356  ?   ?    79.823   8.1967      ?      ? 
1 1 1   24   12   24 o  297.636   5.8996  239.835   9.4885   0.0000   0.0000  239.835   9.4885  ?   ?   297.636   5.8996      ?      ? 
1 1 1   24   12   25 o   85.567   6.7434   19.839   3.1180   0.0000   0.0000   19.839   3.1180  ?   ?    85.567   6.7434      ?      ? 
1 1 1   24   12   26 o  207.632   5.3506  116.693   6.0032   0.0000   0.0000  116.693   6.0032  ?   ?   207.632   5.3506      ?      ? 
1 1 1   24   12   27 o  250.735   4.7598  170.125   6.4490   0.0000   0.0000  170.125   6.4490  ?   ?   250.735   4.7598      ?      ? 
1 1 1   24   12   28 o  299.874   5.0771  243.448   8.2270   0.0000   0.0000  243.448   8.2270  ?   ?   299.874   5.0771      ?      ? 
1 1 1   24   12   29 o  246.861   4.9281  165.002   6.5739   0.0000   0.0000  165.002   6.5739  ?   ?   246.861   4.9281      ?      ? 
1 1 1   24   12   30 o  282.437   6.6408  216.426   10.135   0.0000   0.0000  216.426   10.135  ?   ?   282.437   6.6408      ?      ? 
1 1 1   24   12   31 o  182.483   5.6535   90.258   5.5748   0.0000   0.0000   90.258   5.5748  ?   ?   182.483   5.6535      ?      ? 
1 1 1   24   12   32 o   96.115   6.1748   25.062   3.2070   0.0000   0.0000   25.062   3.2070  ?   ?    96.115   6.1748      ?      ? 
1 1 1   24   12   33 o  163.959   5.7551   72.928   5.0989   0.0000   0.0000   72.928   5.0989  ?   ?   163.959   5.7551      ?      ? 
1 1 1   24   12   34 o   63.499   8.1093   10.991   2.7825   0.0000   0.0000   10.991   2.7825  ?   ?    63.499   8.1093      ?      ? 
1 1 1   24   12   35 f  297.562   5.3791  240.223   8.6493   0.0000   0.0000  240.223   8.6493  ?   ?   297.562   5.3791      ?      ? 
1 1 1   24   12   36 o  185.055   4.6030   92.830   4.6029   0.0000   0.0000   92.830   4.6029  ?   ?   185.055   4.6030      ?      ? 
1 1 1   24   12   37 o  202.598   4.7546  111.342   5.2052   0.0000   0.0000  111.342   5.2052  ?   ?   202.598   4.7546      ?      ? 
1 1 1   24   12   38 o  183.177   4.7721   91.044   4.7235   0.0000   0.0000   91.044   4.7235  ?   ?   183.177   4.7721      ?      ? 
1 1 1   24   12   39 o  141.594   6.7882   56.118   3.4952   53.919   9.5310   56.460   3.7569  138.976   12.692  144.212   4.8211 -5.236176 13.57635 
1 1 1   24   12   40 o  232.280   6.3180  149.855   7.0037  145.090   13.438  151.632   8.2064  228.745   10.872  235.815   6.4401 -7.070023 12.63609 
1 1 1   24   12   41 o   82.822   11.395   20.956   3.7801   18.383   9.0291   21.503   4.1624   77.212   21.059   88.431   8.7107 -11.21964 22.78906 
1 1 1   24   12   42 o  118.512   7.7269   38.532   4.9483   0.0000   0.0000   38.532   4.9483  ?   ?   118.512   7.7269      ?      ? 
1 1 1   24   12   43 o   57.354   10.005   10.976   3.5480   1.3309   6.2787   15.501   4.3004   40.137   16.926   74.571   10.672 -34.43391 20.00952 
1 1 1   24   12   44 o   56.092   10.958   10.016   3.5901   5.1464   6.1183   12.573   4.4336   46.606   17.666   65.579   12.971 -18.97257 21.91624 
1 1 1   24   12   45 o  119.236   8.1900   39.188   5.2769   0.0000   0.0000   39.188   5.2769  ?   ?   119.236   8.1900      ?      ? 
1 1 1   24   12   46 o   49.418   11.291   7.2185   3.6966   2.6334   6.0526   9.9463   4.6685   41.380   16.960   57.456   14.908 -16.07570 22.58117 
1 1 1   24   12   47 o   91.714   8.5360   24.348   4.1047   21.740   6.4099   26.161   5.3443   86.833   13.661   96.595   10.239 -9.762917 17.07201 
1 1 1   24   12   48 o   49.447   12.454   6.7581   4.1385   8.9558   6.5563   5.3024   5.3359   54.142   18.576   44.752   16.594 9.390137 24.90799 
1 1 1   24   12   49 o   37.908   11.571  -0.3168   4.3537   3.7115   6.7906  -3.1283   5.6730   44.283   18.036   31.534   14.502 12.74840 23.14269 
1 1 1   24   12   50 f   41.836   12.221   1.9107   4.6000   5.8518   6.8967  -1.2477   6.1739   48.289   18.643   35.384   15.808 12.90546 24.44258 
1 1 1   24   12   51 o   65.827   12.806   14.455   4.7039   17.498   7.0927   12.066   6.2850   71.890   18.231   59.765   17.989 12.12417 25.61213 
1 1 1   24   12   52 o  155.181   6.7498   69.394   5.5656   57.203   8.0314   80.656   7.7196  141.040   10.538  169.322   8.4372 -28.28195 13.49952 
1 1 1   24   12   53 o   32.001   10.527  -3.4336   4.4460  -5.5220   6.5908  -1.6896   6.0228   30.793   14.624   33.209   15.147 -2.415586 21.05481 
1 1 1   24   13    0 o  209.187   10.052  118.446   11.363  118.446   11.363   0.0000   0.0000  209.187   10.052  ?   ?       ?      ? 
1 1 1   24   13    1 o  518.681   14.742  729.730   41.319   0.0000   0.0000  729.730   41.319  ?   ?   518.681   14.742      ?      ? 
1 1 1   24   13    2 o  286.393   10.314  225.719   15.714  186.374   22.735  261.712   21.744  262.028   16.057  310.757   12.949 -48.72931 20.62759 
1 1 1   24   13    3 o  416.543   10.174  471.939   22.804  422.748   32.280  520.946   32.220  394.728   15.134  438.358   13.602 -43.63000 20.34832 
1 1 1   24   13    4 o  456.171   8.8750  582.932   20.247  511.487   35.024  618.792   24.813  434.190   14.928  478.153   9.6035 -43.96350 17.75009 
1 1 1   24   13    6 o  330.034   6.0682  294.976   10.812  282.619   15.363  307.103   15.220  323.168   8.7976  336.901   8.3602 -13.73315 12.13638 
1 1 1   24   13    7 o  477.292   12.988  617.793   33.498  617.793   33.498   0.0000   0.0000  477.292   12.988  ?   ?       ?      ? 
1 1 1   24   13    8 o  112.980   9.7312   34.586   5.9188   35.270   8.7946   34.020   8.0024  113.980   14.279  111.980   13.225 2.000267 19.46242 
1 1 1   24   13    9 o  242.028   9.8105  158.649   12.830   0.0000   0.0000  158.649   12.830  ?   ?   242.028   9.8105      ?      ? 
1 1 1   24   13   10 o  169.441   10.492   77.793   9.6069   0.0000   0.0000   77.793   9.6069  ?   ?   169.441   10.492      ?      ? 
1 1 1   24   13   12 o  150.030   6.8207   60.913   5.5270   63.041   7.9624   58.934   7.6781  152.557   9.6588  147.504   9.6330 5.052490 13.64140 
1 1 1   24   13   13 o   63.939   12.024   11.167   4.6123   4.4434   6.5048   17.965   6.5410   47.979   18.208   79.900   15.710 -31.92063 24.04860 
1 1 1   24   13   14 o  524.906   7.2643  746.691   20.603  735.613   28.998  757.984   29.279  520.971   10.301  528.842   10.246 -7.871399 14.52853 
1 1 1   24   13   15 o  364.435   5.9869  359.624   11.788  350.048   16.590  369.388   16.751  359.529   8.5394  369.341   8.3934 -9.812683 11.97371 
1 1 1   24   13   16 o  323.593   8.0720  283.555   14.115   0.0000   0.0000  283.555   14.115  ?   ?   323.593   8.0720      ?      ? 
1 1 1   24   13   17 o  282.425   5.5808  218.689   8.0629  207.545   13.657  224.651   9.9898  276.720   9.1332  288.129   6.4163 -11.40823 11.16169 
1 1 1   24   13   18 o  135.491   7.0362   49.700   5.1515   0.0000   0.0000   49.700   5.1515  ?   ?   135.491   7.0362      ?      ? 
1 1 1   24   13   19 o  273.959   5.5248  203.051   8.1788   0.0000   0.0000  203.051   8.1788  ?   ?   273.959   5.5248      ?      ? 
1 1 1   24   13   20 o  302.427   6.6039  247.615   10.792   0.0000   0.0000  247.615   10.792  ?   ?   302.427   6.6039      ?      ? 
1 1 1   24   13   21 o  156.695   6.1157   66.464   5.1784   0.0000   0.0000   66.464   5.1784  ?   ?   156.695   6.1157      ?      ? 
1 1 1   24   13   22 o  283.591   5.4227  217.650   8.3099   0.0000   0.0000  217.650   8.3099  ?   ?   283.591   5.4227      ?      ? 
1 1 1   24   13   23 o  454.133   9.5042  560.356   23.323   0.0000   0.0000  560.356   23.323  ?   ?   454.133   9.5042      ?      ? 
1 1 1   24   13   24 o  269.684   5.6029  196.898   8.1650   0.0000   0.0000  196.898   8.1650  ?   ?   269.684   5.6029      ?      ? 
1 1 1   24   13   25 o  386.376   5.8753  404.265   12.267   0.0000   0.0000  404.265   12.267  ?   ?   386.376   5.8753      ?      ? 
1 1 1   24   13   26 o  334.288   5.9156  302.696   10.686   0.0000   0.0000  302.696   10.686  ?   ?   334.288   5.9156      ?      ? 
1 1 1   24   13   27 o  293.312   5.4957  233.020   8.7105   0.0000   0.0000  233.020   8.7105  ?   ?   293.312   5.4957      ?      ? 
1 1 1   24   13   28 o   43.197   11.964   5.2604   2.8885   0.0000   0.0000   5.2604   2.8885  ?   ?    43.197   11.964      ?      ? 
1 1 1   24   13   29 o  114.541   5.3805   35.546   3.3302   0.0000   0.0000   35.546   3.3302  ?   ?   114.541   5.3805      ?      ? 
1 1 1   24   13   30 o  239.160   4.8217  154.903   6.2312   0.0000   0.0000  154.903   6.2312  ?   ?   239.160   4.8217      ?      ? 
1 1 1   24   13   31 o  192.455   4.6405  100.312   4.8259   0.0000   0.0000  100.312   4.8259  ?   ?   192.455   4.6405      ?      ? 
1 1 1   24   13   32 o  208.795   4.6950  118.116   5.2972   0.0000   0.0000  118.116   5.2972  ?   ?   208.795   4.6950      ?      ? 
1 1 1   24   13   33 o   88.880   5.9313   21.446   2.8487   0.0000   0.0000   21.446   2.8487  ?   ?    88.880   5.9313      ?      ? 
1 1 1   24   13   34 o  164.713   4.6867   73.535   4.1714   0.0000   0.0000   73.535   4.1714  ?   ?   164.713   4.6867      ?      ? 
1 1 1   24   13   35 o  211.176   4.8704  120.940   5.5577   0.0000   0.0000  120.940   5.5577  ?   ?   211.176   4.8704      ?      ? 
1 1 1   24   13   36 o  220.759   4.9576  132.250   5.9139   0.0000   0.0000  132.250   5.9139  ?   ?   220.759   4.9576      ?      ? 
1 1 1   24   13   37 o  109.652   5.2888   32.656   3.1337   0.0000   0.0000   32.656   3.1337  ?   ?   109.652   5.2888      ?      ? 
1 1 1   24   13   38 o   32.394   11.308   2.6205   2.4345   0.0000   0.0000   2.6205   2.4345  ?   ?    32.394   11.308      ?      ? 
1 1 1   24   13   39 o  199.182   4.8843  107.760   5.2570   0.0000   0.0000  107.760   5.2570  ?   ?   199.182   4.8843      ?      ? 
1 1 1   24   13   40 o  156.424   6.9740   68.940   3.9768   65.743   10.779   69.443   4.2786  152.985   13.039  159.863   4.9530 -6.877716 13.94801 
1 1 1   24   13   41 o   66.998   11.541   16.020   3.6730   5.8604   9.1128   17.990   4.0134   53.269   21.170   80.726   9.2005 -27.45692 23.08296 
1 1 1   24   13   42 o   36.592   10.746   1.0891   3.1525   3.2215   6.0742   0.3029   3.6882   42.901   17.205   30.284   12.881 12.61676 21.49292 
1 1 1   24   13   43 o  110.080   7.5420   37.233   3.9912   24.582   6.6424   44.380   4.9930   92.993   13.219  127.167   7.2660 -34.17413 15.08405 
1 1 1   24   13   44 o   47.787   11.697   6.3031   3.5163   5.1497   6.5699   6.7661   4.1627   47.389   18.223   48.184   14.671 -0.7956924 23.39481 
1 1 1   24   13   45 o   77.251   10.245   18.011   3.8919   16.162   6.7459   18.934   4.7648   72.385   17.450   82.116   10.738 -9.730927 20.48963 
1 1 1   24   13   46 o   55.509   11.946   9.5874   3.9121   7.0903   6.7139   10.871   4.8137   51.027   18.665   59.991   14.913 -8.963837 23.89146 
1 1 1   24   13   47 o   60.788   12.345   11.399   4.1768   13.006   6.7851   10.418   5.3001   63.703   18.570   57.873   16.270 5.829937 24.68935 
1 1 1   24   13   48 o   55.012   12.780   8.9408   4.3275   11.586   6.9249   7.2462   5.5431   60.360   19.016   49.665   17.078 10.69459 25.55915 
1 1 1   24   13   49 o  138.857   9.5669   54.047   7.1784   0.0000   0.0000   54.047   7.1784  ?   ?   138.857   9.5669      ?      ? 
1 1 1   24   13   50 o   36.260   11.067  -0.8505   4.3860  -7.7309   6.5973   4.5992   5.8715   29.337   14.119   43.182   17.046 -13.84494 22.13399 
1 1 1   24   13   51 o   62.512   12.281   13.437   4.6160   7.5648   7.0891   17.760   6.0820   50.177   19.017   74.847   15.546 -24.66989 24.56221 
1 1 1   24   13   52 o   33.763   10.942  -2.1164   4.4382  -1.5326   6.9149  -2.5253   5.7877   35.792   16.289   31.733   14.613 4.059116 21.88306 
1 1 1   24   14    0 o  172.596   7.5682   81.381   6.9969   71.270   10.104   90.696   9.6983  162.173   11.530  183.020   9.8064 -20.84642 15.13642 
1 1 1   24   14    1 o  225.484   6.4939  137.833   7.8890  134.816   11.539  140.481   10.810  223.145   9.5692  227.823   8.7813 -4.677704 12.98773 
1 1 1   24   14    2 o  271.349   6.2366  198.222   9.1050  210.497   13.662  188.413   12.212  278.852   9.0668  263.846   8.5657 15.00540 12.47311 
1 1 1   24   14    3 o  120.199   18.653   42.002   11.916   31.554   18.368   49.595   15.657  105.671   30.483  134.728   21.507 -29.05624 37.30587 
1 1 1   24   14    4 o  384.138   10.029  401.678   20.731  388.513   30.443  413.063   28.310  378.155   14.898  390.121   13.429 -11.96686 20.05729 
1 1 1   24   14    5 o  225.844   11.888  140.239   14.170  131.667   22.207  146.126   18.403  219.769   18.699  231.918   14.685 -12.14922 23.77622 
1 1 1   24   14    6 o   80.266   12.068   17.811   5.7001   33.053   8.2524   3.9051   7.8827  110.329   13.842   50.203   19.772 60.12571 24.13598 
1 1 1   24   14    7 o  441.304   9.3583  527.403   22.316   0.0000   0.0000  527.403   22.316  ?   ?   441.304   9.3583      ?      ? 
1 1 1   24   14    8 o  340.966   10.748  315.090   19.804  315.090   19.804   0.0000   0.0000  340.966   10.748  ?   ?       ?      ? 
1 1 1   24   14    9 o  588.270   11.190  938.244   35.572   0.0000   0.0000  938.244   35.572  ?   ?   588.270   11.190      ?      ? 
1 1 1   24   14   10 o  501.046   13.384  681.757   36.236   0.0000   0.0000  681.757   36.236  ?   ?   501.046   13.384      ?      ? 
1 1 1   24   14   14 o  563.059   10.810  860.240   32.891   0.0000   0.0000  860.240   32.891  ?   ?   563.059   10.810      ?      ? 
1 1 1   24   14   15 o  173.083   6.4132   80.992   5.9649   93.502   8.6733   69.766   8.2165  185.757   8.6408  160.408   9.4792 25.34917 12.82647 
1 1 1   24   14   17 o  185.052   5.5865   91.036   5.4213   99.820   8.9772   85.994   6.8015  191.895   8.6574  178.208   7.0630 13.68668 11.17308 
1 1 1   24   14   18 o   88.382   10.399   21.212   4.9667   0.0000   0.0000   21.212   4.9667  ?   ?    88.382   10.399      ?      ? 
1 1 1   24   14   19 o  283.062   5.6829  216.834   8.6924   0.0000   0.0000  216.834   8.6924  ?   ?   283.062   5.6829      ?      ? 
1 1 1   24   14   20 o   89.260   9.9883   21.646   4.8177   0.0000   0.0000   21.646   4.8177  ?   ?    89.260   9.9883      ?      ? 
1 1 1   24   14   21 o  120.795   7.6132   39.565   4.9694   0.0000   0.0000   39.565   4.9694  ?   ?   120.795   7.6132      ?      ? 
1 1 1   24   14   22 o  304.557   5.5656  251.106   9.1594   0.0000   0.0000  251.106   9.1594  ?   ?   304.557   5.5656      ?      ? 
1 1 1   24   14   23 o  193.627   5.6851  101.508   5.9483   0.0000   0.0000  101.508   5.9483  ?   ?   193.627   5.6851      ?      ? 
1 1 1   24   14   24 o  227.096   5.3797  139.623   6.6017   0.0000   0.0000  139.623   6.6017  ?   ?   227.096   5.3797      ?      ? 
1 1 1   24   14   25 o  136.955   6.2079   50.830   4.5942   0.0000   0.0000   50.830   4.5942  ?   ?   136.955   6.2079      ?      ? 
1 1 1   24   14   26 o  137.161   6.0804   50.995   4.5067   0.0000   0.0000   50.995   4.5067  ?   ?   137.161   6.0804      ?      ? 
1 1 1   24   14   27 o  164.285   5.4417   73.124   4.8308   0.0000   0.0000   73.124   4.8308  ?   ?   164.285   5.4417      ?      ? 
1 1 1   24   14   28 o  248.219   5.0834  166.891   6.8184   0.0000   0.0000  166.891   6.8184  ?   ?   248.219   5.0834      ?      ? 
1 1 1   24   14   29 o  316.074   5.4443  270.759   9.2986   0.0000   0.0000  270.759   9.2986  ?   ?   316.074   5.4443      ?      ? 
1 1 1   24   14   30 o   82.099   7.3685   18.326   3.2689   0.0000   0.0000   18.326   3.2689  ?   ?    82.099   7.3685      ?      ? 
1 1 1   24   14   31 o  317.683   5.7080  273.840   9.7986   0.0000   0.0000  273.840   9.7986  ?   ?   317.683   5.7080      ?      ? 
1 1 1   24   14   32 o  241.625   4.9942  158.288   6.5208   0.0000   0.0000  158.288   6.5208  ?   ?   241.625   4.9942      ?      ? 
1 1 1   24   14   33 o   87.769   6.6743   20.950   3.1654   0.0000   0.0000   20.950   3.1654  ?   ?    87.769   6.6743      ?      ? 
1 1 1   24   14   34 o  197.571   5.0283  105.897   5.3683   0.0000   0.0000  105.897   5.3683  ?   ?   197.571   5.0283      ?      ? 
1 1 1   24   14   35 o  167.542   5.0636   76.194   4.5843   0.0000   0.0000   76.194   4.5843  ?   ?   167.542   5.0636      ?      ? 
1 1 1   24   14   36 f  175.862   4.9814   83.955   4.7338   0.0000   0.0000   83.955   4.7338  ?   ?   175.862   4.9814      ?      ? 
1 1 1   24   14   37 o   49.127   10.987   6.9386   2.8436   0.0000   0.0000   6.9386   2.8436  ?   ?    49.127   10.987      ?      ? 
1 1 1   24   14   38 o  155.244   5.0685   65.489   4.2519   0.0000   0.0000   65.489   4.2519  ?   ?   155.244   5.0685      ?      ? 
1 1 1   24   14   39 o   74.596   7.3704   15.227   2.9709   0.0000   0.0000   15.227   2.9709  ?   ?    74.596   7.3704      ?      ? 
1 1 1   24   14   40 o   71.414   11.045   19.476   2.9835   7.2860   8.7446   21.082   3.1739   55.000   21.054   87.828   6.6877 -32.82722 22.09073 
1 1 1   24   14   41 o   28.482   9.6208  -1.9465   2.6339 -13.8311   9.0378  -0.8434   2.7534   32.985   16.030   23.978   10.644 9.006317 19.24167 
1 1 1   24   14   42 o   67.170   12.530   12.423   3.8098   16.007   9.0124   11.644   4.2038   71.218   21.565   63.121   12.764 8.097706 25.05908 
1 1 1   24   14   43 o   41.049   11.333   0.8281   3.4513   8.3883   6.7851  -1.8106   4.0086   54.356   18.883   27.742   12.536 26.61386 22.66556 
1 1 1   24   14   44 o   68.311   10.828   15.548   3.7754   9.1934   6.8777   18.288   4.5168   55.806   19.027   80.817   10.343 -25.01060 21.65651 
1 1 1   24   14   45 f  221.973   6.9869  135.429   8.3806   0.0000   0.0000  135.429   8.3806  ?   ?   221.973   6.9869      ?      ? 
1 1 1   24   14   46 o   43.628   11.635   4.6555   3.9676  -0.6848   7.0181   7.1640   4.8100   38.291   16.996   48.964   15.893 -10.67256 23.26906 
1 1 1   24   14   47 o   33.527   10.775  -2.0376   4.1190  -3.2902   6.9353  -1.3551   5.1197   35.030   16.081   32.023   14.344 3.007305 21.54915 
1 1 1   24   14   49 o  105.562   9.6425   35.072   4.9919   25.354   7.6837   42.170   6.5665   89.503   16.495  121.622   9.9916 -32.11906 19.28499 
1 1 1   24   14   50 o   62.571   12.573   15.118   5.3325   0.4117   10.572   20.137   6.1756   44.951   20.331   80.191   14.797 -35.23986 25.14591 
1 1 1   24   14   51 o   57.656   15.059   10.559   5.7431   14.574   10.754   8.9572   6.7930   62.747   23.499   52.565   18.838 10.18225 30.11756 
1 1 1   24   15    0 o  183.569   7.2039   91.605   7.1217   85.208   10.240   97.598   9.9113  177.316   10.687  189.823   9.6627 -12.50673 14.40773 
1 1 1   24   15    1 o  175.253   7.5033   83.139   7.0991   88.353   10.215   78.269   9.8727  180.568   10.470  169.938   10.751 10.62985 15.00664 
1 1 1   24   15    3 o  423.627   6.6298  486.226   15.171  475.450   21.582  496.752   21.330  418.969   9.5329  428.286   9.2165 -9.317566 13.25970 
1 1 1   24   15    4 o   67.438   13.014   9.7606   6.1530   24.685   8.9307  -3.7252   8.4894   93.567   18.319   41.309   18.490 52.25864 26.02780 
1 1 1   24   15    5 o  452.986   10.587  558.416   25.884  528.378   36.656  588.288   36.555  440.745   15.391  465.228   14.541 -24.48315 21.17365 
1 1 1   24   15    6 o  205.660   13.353  117.671   14.525  101.351   21.918  130.450   19.396  192.442   21.077  218.878   16.399 -26.43660 26.70558 
1 1 1   24   15    7 o  251.625   11.486  173.341   15.458  165.248   23.274  179.730   20.678  246.184   17.495  257.067   14.886 -10.88321 22.97138 
1 1 1   24   15    9 o  293.360   6.7494  231.581   10.454  240.766   16.812  225.790   13.349  297.984   10.441  288.737   8.5558 9.246948 13.49875 
1 1 1   24   15   10 o  344.274   6.2065  320.829   11.540  307.007   16.083  335.499   16.569  336.630   8.8414  351.918   8.7128 -15.28815 12.41309 
1 1 1   24   15   11 f   65.946   14.298   11.813   5.5515   10.662   7.4011   13.295   8.3946   62.659   19.646   69.232   20.779 -6.572636 28.59580 
1 1 1   24   15   12 o  467.678   9.7595  593.169   24.664   0.0000   0.0000  593.169   24.664  ?   ?   467.678   9.7595      ?      ? 
1 1 1   24   15   13 o  251.840   6.0628  171.819   8.2464  179.646   11.776  164.288   11.551  257.475   8.4643  246.204   8.6825 11.27113 12.12561 
1 1 1   24   15   14 o  155.774   7.1332   65.795   5.9826   73.707   8.6177   58.435   8.3120  164.833   9.6751  146.714   10.484 18.11922 14.26643 
1 1 1   24   15   16 o  156.609   6.4929   67.176   5.3766   63.221   8.3887   69.934   7.0045  152.587   10.174  160.632   8.0697 -8.045502 12.98578 
1 1 1   24   15   17 o  263.445   6.7289  187.959   9.5790   0.0000   0.0000  187.959   9.5790  ?   ?   263.445   6.7289      ?      ? 
1 1 1   24   15   18 o  227.056   7.4214  139.732   9.1056   0.0000   0.0000  139.732   9.1056  ?   ?   227.056   7.4214      ?      ? 
1 1 1   24   15   19 o  238.607   7.3157  154.338   9.4325   0.0000   0.0000  154.338   9.4325  ?   ?   238.607   7.3157      ?      ? 
1 1 1   24   15   20 o   68.786   13.812   13.390   4.9556   0.0000   0.0000   13.390   4.9556  ?   ?    68.786   13.812      ?      ? 
1 1 1   24   15   21 o   82.849   10.858   18.687   4.8610   0.0000   0.0000   18.687   4.8610  ?   ?    82.849   10.858      ?      ? 
1 1 1   24   15   22 o   64.565   13.286   11.810   4.4808   0.0000   0.0000   11.810   4.4808  ?   ?    64.565   13.286      ?      ? 
1 1 1   24   15   23 f  246.512   5.6165  164.586   7.4815   0.0000   0.0000  164.586   7.4815  ?   ?   246.512   5.6165      ?      ? 
1 1 1   24   15   24 o  226.237   5.5533  138.654   6.7890   0.0000   0.0000  138.654   6.7890  ?   ?   226.237   5.5533      ?      ? 
1 1 1   24   15   25 o  194.231   6.4566  102.322   6.7766   0.0000   0.0000  102.322   6.7766  ?   ?   194.231   6.4566      ?      ? 
1 1 1   24   15   26 o  187.471   7.4825   95.473   7.5800   0.0000   0.0000   95.473   7.5800  ?   ?   187.471   7.4825      ?      ? 
1 1 1   24   15   27 o  207.188   5.3900  116.325   6.0345   0.0000   0.0000  116.325   6.0345  ?   ?   207.188   5.3900      ?      ? 
1 1 1   24   15   28 o  226.243   5.4927  138.758   6.7151   0.0000   0.0000  138.758   6.7151  ?   ?   226.243   5.4927      ?      ? 
1 1 1   24   15   29 o  184.034   5.3281   91.832   5.2986   0.0000   0.0000   91.832   5.2986  ?   ?   184.034   5.3281      ?      ? 
1 1 1   24   15   30 o  166.854   5.4498   75.522   4.9137   0.0000   0.0000   75.522   4.9137  ?   ?   166.854   5.4498      ?      ? 
1 1 1   24   15   31 o  382.115   6.4256  396.821   13.268   0.0000   0.0000  396.821   13.268  ?   ?   382.115   6.4256      ?      ? 
1 1 1   24   15   32 o  100.519   6.8072   27.492   3.6975   0.0000   0.0000   27.492   3.6975  ?   ?   100.519   6.8072      ?      ? 
1 1 1   24   15   33 o  142.759   5.4430   55.342   4.1988   0.0000   0.0000   55.342   4.1988  ?   ?   142.759   5.4430      ?      ? 
1 1 1   24   15   34 f  190.722   5.1001   98.752   5.2561   0.0000   0.0000   98.752   5.2561  ?   ?   190.722   5.1001      ?      ? 
1 1 1   24   15   35 f   40.298   12.519   4.5171   3.0132   0.0000   0.0000   4.5171   3.0132  ?   ?    40.298   12.519      ?      ? 
1 1 1   24   15   36 o  150.713   5.2996   61.744   4.3160   0.0000   0.0000   61.744   4.3160  ?   ?   150.713   5.2996      ?      ? 
1 1 1   24   15   37 o  129.062   5.7451   45.338   4.0067   0.0000   0.0000   45.338   4.0067  ?   ?   129.062   5.7451      ?      ? 
1 1 1   24   15   38 o   79.607   7.7563   17.370   3.3365   0.0000   0.0000   17.370   3.3365  ?   ?    79.607   7.7563      ?      ? 
1 1 1   24   15   39 o  159.574   5.2192   69.291   4.5004   0.0000   0.0000   69.291   4.5004  ?   ?   159.574   5.2192      ?      ? 
1 1 1   24   15   40 o  132.910   5.6174   48.153   4.0345   0.0000   0.0000   48.153   4.0345  ?   ?   132.910   5.6174      ?      ? 
1 1 1   24   15   41 o   43.554   12.375   0.9383   2.9022   10.309   9.1938  -0.0988   3.0586   60.226   21.871   26.881   11.587 33.34472 24.75075 
1 1 1   24   15   42 o   69.497   11.716   16.187   3.1558   10.455   9.3585   16.923   3.3522   60.588   22.056   78.406   7.9121 -17.81710 23.43223 
1 1 1   24   15   43 o   45.254   13.040   2.9763   4.1437   6.6802   9.3162   2.0629   4.6266   53.796   21.397   36.711   14.912 17.08517 26.08077 
1 1 1   24   15   44 o  121.915   7.4976   42.782   4.6525   38.389   7.7890   45.219   5.8012  116.055   12.420  127.774   8.4020 -11.71948 14.99518 
1 1 1   24   15   45 o   35.197   10.471  -1.0009   4.0317 -12.4230   7.0068   4.6525   4.9295   27.705   13.601   42.689   15.925 -14.98428 20.94298 
1 1 1   24   15   46 o   76.251   13.314   21.384   5.0213   11.115   11.720   23.692   5.5572   61.316   24.122   91.185   11.278 -29.86892 26.62844 
1 1 1   24   15   48 o  103.021   11.121   48.895   6.6171  -4.0946   11.572   74.640   8.0659   43.522   20.256  162.520   9.1845 -118.9973 22.24140 
1 1 1   24   15   49 o  106.608   13.008   37.545   6.1006   36.914   12.367   37.748   7.0134   99.640   23.372  113.575   11.428 -13.93468 26.01616 
1 1 1   24   15   50 o   62.440   15.096   5.0069   5.6586   32.297   13.182  -1.1581   6.2652   90.036   25.780   34.845   15.716 55.19051 30.19264 
1 1 1   24   15   51 o  102.056   10.957   34.126   5.3993   30.368   9.2058   36.097   6.6662   93.558   18.861  110.554   11.159 -16.99635 21.91443 
1 1 1   24   16    0 o  161.131   8.2704   70.385   7.1483   82.388   10.349   59.432   9.8857  174.298   10.988  147.965   12.364 26.33318 16.54078 
1 1 1   24   16    1 o  371.822   6.5064  374.716   13.066  364.851   18.602  384.322   18.356  366.970   9.3809  376.674   9.0182 -9.703644 13.01271 
1 1 1   24   16    2 o  195.859   7.0864  103.924   7.4979  106.395   10.754  101.586   10.459  198.122   10.045  193.596   9.9979 4.525620 14.17280 
1 1 1   24   16    4 o  133.822   9.1903   48.641   6.6443   47.583   9.2806   49.753   9.5167  132.331   12.979  135.312   13.016 -2.981110 18.38066 
1 1 1   24   16    5 o  399.376   9.2489  432.244   19.960   0.0000   0.0000  432.244   19.960  ?   ?   399.376   9.2489      ?      ? 
1 1 1   24   16    7 o  223.437   12.892  133.080   15.351  159.505   24.276  115.473   19.816  241.384   18.611  205.490   17.846 35.89426 25.78485 
1 1 1   24   16    8 o  191.060   16.368  109.190   15.154   70.068   23.008  139.167   20.140  156.383   28.267  225.736   16.511 -69.35310 32.73583 
1 1 1   24   16    9 f   78.913   29.685   13.320   17.198   0.0000   0.0000   13.320   17.198  ?   ?    78.913   29.685      ?      ? 
1 1 1   24   16   10 o  355.565   8.7684  342.704   16.847   0.0000   0.0000  342.704   16.847  ?   ?   355.565   8.7684      ?      ? 
1 1 1   24   16   11 o  431.056   12.327  505.405   28.712   0.0000   0.0000  505.405   28.712  ?   ?   431.056   12.327      ?      ? 
1 1 1   24   16   12 o  145.776   8.1929   56.297   6.3667   48.707   8.2294   67.613   10.049  133.867   11.376  157.686   11.793 -23.81932 16.38585 
1 1 1   24   16   13 o   54.098   13.755   6.8271   5.1256   6.7192   7.1938   6.9384   7.3050   53.777   19.374   54.419   19.531 -0.6421280 27.51031 
1 1 1   24   16   14 o  330.483   6.0636  296.101   10.825  285.950   15.160  306.660   15.462  324.697   8.6406  336.269   8.5093 -11.57202 12.12716 
1 1 1   24   16   15 f  345.351   8.7596  323.627   16.347   0.0000   0.0000  323.627   16.347  ?   ?   345.351   8.7596      ?      ? 
1 1 1   24   16   16 o  304.818   6.0613  247.643   9.3112  264.640   16.723  240.008   11.209  312.031   9.9184  297.605   6.9703 14.42593 12.12266 
1 1 1   24   16   17 o  145.175   7.7298   57.161   6.0639   0.0000   0.0000   57.161   6.0639  ?   ?   145.175   7.7298      ?      ? 
1 1 1   24   16   18 o  187.900   6.7128   95.668   6.8158   0.0000   0.0000   95.668   6.8158  ?   ?   187.900   6.7128      ?      ? 
1 1 1   24   16   19 f  119.625   8.6945   38.857   5.6202   0.0000   0.0000   38.857   5.6202  ?   ?   119.625   8.6945      ?      ? 
1 1 1   24   16   20 o  208.997   6.3338  118.354   7.1530   0.0000   0.0000  118.354   7.1530  ?   ?   208.997   6.3338      ?      ? 
1 1 1   24   16   21 o  126.889   8.1380   43.728   5.5800   0.0000   0.0000   43.728   5.5800  ?   ?   126.889   8.1380      ?      ? 
1 1 1   24   16   22 o  266.458   9.3434  193.275   13.453   0.0000   0.0000  193.275   13.453  ?   ?   266.458   9.3434      ?      ? 
1 1 1   24   16   23 o   64.069   14.215   11.727   4.7928   0.0000   0.0000   11.727   4.7928  ?   ?    64.069   14.215      ?      ? 
1 1 1   24   16   24 o   73.597   11.743   14.830   4.6701   0.0000   0.0000   14.830   4.6701  ?   ?    73.597   11.743      ?      ? 
1 1 1   24   16   25 o  347.577   7.8480  328.445   14.740   0.0000   0.0000  328.445   14.740  ?   ?   347.577   7.8480      ?      ? 
1 1 1   24   16   26 o  159.546   6.3220   69.073   5.4504   0.0000   0.0000   69.073   5.4504  ?   ?   159.546   6.3220      ?      ? 
1 1 1   24   16   27 o  122.926   7.2392   41.086   4.8086   0.0000   0.0000   41.086   4.8086  ?   ?   122.926   7.2392      ?      ? 
1 1 1   24   16   28 o  123.788   7.1422   41.682   4.7775   0.0000   0.0000   41.682   4.7775  ?   ?   123.788   7.1422      ?      ? 
1 1 1   24   16   29 o  242.869   5.4245  160.023   7.1190   0.0000   0.0000  160.023   7.1190  ?   ?   242.869   5.4245      ?      ? 
1 1 1   24   16   30 o   74.375   9.9014   15.162   3.9793   0.0000   0.0000   15.162   3.9793  ?   ?    74.375   9.9014      ?      ? 
1 1 1   24   16   31 o   80.272   9.1458   17.644   3.9671   0.0000   0.0000   17.644   3.9671  ?   ?    80.272   9.1458      ?      ? 
1 1 1   24   16   32 o  112.127   6.8231   34.253   4.1341   0.0000   0.0000   34.253   4.1341  ?   ?   112.127   6.8231      ?      ? 
1 1 1   24   16   33 o  159.343   5.5605   68.999   4.7878   0.0000   0.0000   68.999   4.7878  ?   ?   159.343   5.5605      ?      ? 
1 1 1   24   16   34 o   83.372   8.0343   19.027   3.6196   0.0000   0.0000   19.027   3.6196  ?   ?    83.372   8.0343      ?      ? 
1 1 1   24   16   35 o  105.176   6.6822   30.183   3.7977   0.0000   0.0000   30.183   3.7977  ?   ?   105.176   6.6822      ?      ? 
1 1 1   24   16   36 o   36.607   13.075   3.2886   3.2698   0.0000   0.0000   3.2886   3.2698  ?   ?    36.607   13.075      ?      ? 
1 1 1   24   16   37 o  137.015   5.7114   51.132   4.2286   0.0000   0.0000   51.132   4.2286  ?   ?   137.015   5.7114      ?      ? 
1 1 1   24   16   38 o   96.655   7.0360   25.575   3.6748   0.0000   0.0000   25.575   3.6748  ?   ?    96.655   7.0360      ?      ? 
1 1 1   24   16   39 o   54.334   11.949   8.6014   3.4129   0.0000   0.0000   8.6014   3.4129  ?   ?    54.334   11.949      ?      ? 
1 1 1   24   16   40 o  152.517   5.7021   63.459   4.6994   0.0000   0.0000   63.459   4.6994  ?   ?   152.517   5.7021      ?      ? 
1 1 1   24   16   41 o  151.165   7.4023   64.080   4.3733   63.356   10.979   64.216   4.7679  148.939   13.641  153.391   5.7523 -4.451874 14.80469 
1 1 1   24   16   42 o   92.929   7.7347   23.817   3.8840   0.0000   0.0000   23.817   3.8840  ?   ?    92.929   7.7347      ?      ? 
1 1 1   24   16   43 o  102.367   11.862   29.752   6.5616   0.0000   0.0000   29.752   6.5616  ?   ?   102.367   11.862      ?      ? 
1 1 1   24   16   44 f   48.743   12.183   5.5793   5.2413 -14.9550   10.569   12.277   6.0359   35.182   17.150   62.305   17.309 -27.12325 24.36629 
1 1 1   24   16   45 o   43.774   13.613  -2.4051   5.3675   8.4955   11.129  -5.7095   6.1272   57.331   23.184   30.216   14.276 27.11518 27.22672 
1 1 1   24   16   46 o  208.436   8.1376   76.807   7.2204  240.991   17.961   45.158   7.8857  291.000   11.422  125.871   11.594 165.1293 16.27512 
1 1 1   24   16   47 o   75.700   15.036   17.865   5.9339   0.0000   0.0000   17.865   5.9339  ?   ?    75.700   15.036      ?      ? 
1 1 1   24   16   48 o   67.650   12.713   15.217   4.6546   16.350   7.3955   14.475   5.9897   68.860   19.170   66.439   16.702 2.421501 25.42506 
1 1 1   24   16   49 o  105.940   11.286   32.717   6.4606   0.0000   0.0000   32.717   6.4606  ?   ?   105.940   11.286      ?      ? 
1 1 1   24   16   50 o   44.527   12.778   5.2677   4.7224   4.5083   7.8272   5.7023   5.9217   44.640   18.865   44.414   17.239 0.2253151 25.55570 
1 1 1   24   17    0 o  234.467   6.7838  149.081   8.5944  148.890   12.222  149.268   12.088  234.313   9.6527  234.621   9.5344 -0.3079681 13.56762 
1 1 1   24   17    1 o  116.029   10.681   36.691   6.6896   34.378   9.3484   39.118   9.5768  112.262   15.410  119.796   14.794 -7.533585 21.36234 
1 1 1   24   17    2 o   72.237   13.505   13.823   6.2920   25.799   8.8110   1.3617   8.9880   95.634   17.702   48.840   20.402 46.79400 27.01095 
1 1 1   24   17    3 f   77.108   14.267   16.752   6.0847   12.926   8.3832   21.013   8.8455   68.369   20.820   85.846   19.511 -17.47704 28.53336 
1 1 1   24   17    4 o   76.368   14.445   16.518   6.2386   11.418   8.8238   21.615   8.8217   65.631   21.537   87.105   19.254 -21.47399 28.88915 
1 1 1   24   17    5 o  508.972   10.308  703.134   28.349   0.0000   0.0000  703.134   28.349  ?   ?   508.972   10.308      ?      ? 
1 1 1   24   17    6 f  224.221   6.7144  136.337   8.1337  138.353   11.643  134.416   11.368  225.835   9.5407  222.607   9.4502 3.227798 13.42873 
1 1 1   24   17    7 o  400.413   6.5985  435.014   14.271  430.631   20.419  439.201   19.954  398.415   9.4843  402.412   9.1766 -3.997375 13.19702 
1 1 1   24   17    9 o  127.688   14.568   44.266   7.6460   43.387   8.4702   48.131   17.769  126.248   12.416  129.127   26.358 -2.879387 29.13593 
1 1 1   24   17   10 o  132.439   26.720   50.721   18.463   0.0000   0.0000   50.721   18.463  ?   ?   132.439   26.720      ?      ? 
1 1 1   24   17   11 o  293.513   15.518  235.811   24.612   0.0000   0.0000  235.811   24.612  ?   ?   293.513   15.518      ?      ? 
1 1 1   24   17   12 o  347.968   17.008  332.658   31.979  332.658   31.979   0.0000   0.0000  347.968   17.008  ?   ?       ?      ? 
1 1 1   24   17   14 o  240.663   9.0363  157.305   11.751   0.0000   0.0000  157.305   11.751  ?   ?   240.663   9.0363      ?      ? 
1 1 1   24   17   15 o  306.274   6.1057  253.727   9.4166  257.207   16.729  252.113   11.393  307.544   10.067  305.004   6.9125 2.540649 12.21149 
1 1 1   24   17   16 o  161.650   6.4441   68.847   5.4741   80.023   9.0924   62.494   6.8558  171.560   9.8079  151.740   8.3612 19.81979 12.88820 
1 1 1   24   17   17 o  159.075   7.6363   68.646   6.5641   0.0000   0.0000   68.646   6.5641  ?   ?   159.075   7.6363      ?      ? 
1 1 1   24   17   18 o  266.437   7.6506  192.642   11.015   0.0000   0.0000  192.642   11.015  ?   ?   266.437   7.6506      ?      ? 
1 1 1   24   17   19 o  166.895   13.109   76.317   11.822   0.0000   0.0000   76.317   11.822  ?   ?   166.895   13.109      ?      ? 
1 1 1   24   17   20 o  244.195   8.4806  162.142   11.191   0.0000   0.0000  162.142   11.191  ?   ?   244.195   8.4806      ?      ? 
1 1 1   24   17   21 o  152.233   7.4165   62.938   6.1010   0.0000   0.0000   62.938   6.1010  ?   ?   152.233   7.4165      ?      ? 
1 1 1   24   17   22 o  144.060   7.4222   56.372   5.7778   0.0000   0.0000   56.372   5.7778  ?   ?   144.060   7.4222      ?      ? 
1 1 1   24   17   23 o  214.154   7.0910  124.546   8.2059   0.0000   0.0000  124.546   8.2059  ?   ?   214.154   7.0910      ?      ? 
1 1 1   24   17   24 o  153.814   6.9743   64.260   5.7967   0.0000   0.0000   64.260   5.7967  ?   ?   153.814   6.9743      ?      ? 
1 1 1   24   17   25 o  168.059   6.5085   76.700   5.9106   0.0000   0.0000   76.700   5.9106  ?   ?   168.059   6.5085      ?      ? 
1 1 1   24   17   26 o   91.348   10.026   22.844   4.9489   0.0000   0.0000   22.844   4.9489  ?   ?    91.348   10.026      ?      ? 
1 1 1   24   17   27 o  151.705   6.8740   62.588   5.6351   0.0000   0.0000   62.588   5.6351  ?   ?   151.705   6.8740      ?      ? 
1 1 1   24   17   28 o  205.234   5.8248  114.367   6.4598   0.0000   0.0000  114.367   6.4598  ?   ?   205.234   5.8248      ?      ? 
1 1 1   24   17   29 o   64.906   12.987   12.070   4.3960   0.0000   0.0000   12.070   4.3960  ?   ?    64.906   12.987      ?      ? 
1 1 1   24   17   30 o   30.760   13.364  -0.4771   4.1330   0.0000   0.0000  -0.4771   4.1330  ?   ?    30.760   13.364      ?      ? 
1 1 1   24   17   31 o   60.238   12.898   10.467   4.0718   0.0000   0.0000   10.467   4.0718  ?   ?    60.238   12.898      ?      ? 
1 1 1   24   17   32 o  139.140   6.3548   52.720   4.7780   0.0000   0.0000   52.720   4.7780  ?   ?   139.140   6.3548      ?      ? 
1 1 1   24   17   33 o   80.162   9.4451   17.696   4.0913   0.0000   0.0000   17.696   4.0913  ?   ?    80.162   9.4451      ?      ? 
1 1 1   24   17   34 f   64.075   11.537   11.740   3.8477   0.0000   0.0000   11.740   3.8477  ?   ?    64.075   11.537      ?      ? 
1 1 1   24   17   35 o  126.181   6.4746   43.443   4.4146   0.0000   0.0000   43.443   4.4146  ?   ?   126.181   6.4746      ?      ? 
1 1 1   24   17   36 o  111.344   6.9977   33.918   4.2103   0.0000   0.0000   33.918   4.2103  ?   ?   111.344   6.9977      ?      ? 
1 1 1   24   17   37 o  171.665   5.7425   80.342   5.3269   0.0000   0.0000   80.342   5.3269  ?   ?   171.665   5.7425      ?      ? 
1 1 1   24   17   38 o  102.079   7.9211   28.675   4.3693   0.0000   0.0000   28.675   4.3693  ?   ?   102.079   7.9211      ?      ? 
1 1 1   24   17   39 o  213.444   6.1093  124.456   7.0464   0.0000   0.0000  124.456   7.0464  ?   ?   213.444   6.1093      ?      ? 
1 1 1   24   17   40 o   42.289   14.375   4.8983   3.9258   0.0000   0.0000   4.8983   3.9258  ?   ?    42.289   14.375      ?      ? 
1 1 1   24   17   41 o  113.667   7.6211   35.620   4.6810   0.0000   0.0000   35.620   4.6810  ?   ?   113.667   7.6211      ?      ? 
1 1 1   24   17   42 f  146.542   9.2107   70.115   5.1294   49.144   11.947   74.855   5.6795  127.886   17.288  165.199   6.3623 -37.31326 18.42139 
1 1 1   24   17   43 o  195.912   7.2313  112.698   5.7746  101.802   13.388  115.189   6.4006  186.876   13.258  204.948   5.7795 -18.07175 14.46256 
1 1 1   24   17   44 o   34.905   11.840  -8.8748   5.0003  -1.0158   10.426 -11.2226   5.6984   45.353   20.381   24.457   12.057 20.89612 23.68047 
1 1 1   24   17   45 o   34.147   11.198  -4.5829   4.7060  -1.4161   7.8034  -6.3929   5.8996   39.413   17.678   28.880   13.750 10.53279 22.39590 
1 1 1   24   17   46 o   97.089   9.7669   28.154   5.0188   29.806   8.0075   27.086   6.4409   98.467   15.049   95.712   12.454 2.755302 19.53389 
1 1 1   24   17   47 o   63.645   13.202   13.895   4.8449   12.328   7.6823   14.930   6.2429   59.875   20.111   67.414   17.109 -7.539333 26.40362 
1 1 1   24   17   48 o   51.536   12.813   6.4583   4.8842   15.479   7.6512   0.2543   6.3453   66.328   19.822   36.745   16.242 29.58365 25.62620 
1 1 1   24   18    0 o  203.349   7.3473  111.125   8.0200  130.762   11.992   95.237   10.787  219.459   10.113  187.240   10.662 32.21887 14.69466 
1 1 1   24   18    1 o  218.347   6.9825  129.599   8.2141  117.573   11.568  141.827   11.665  208.073   10.289  228.621   9.4425 -20.54805 13.96506 
1 1 1   24   18    2 o  281.374   6.5104  214.878   9.8946  208.570   14.031  221.117   13.955  277.245   9.3660  285.504   9.0454 -8.258636 13.02074 
1 1 1   24   18    3 o  388.143   9.1523  408.751   19.196   0.0000   0.0000  408.751   19.196  ?   ?   388.143   9.1523      ?      ? 
1 1 1   24   18    4 f  232.867   6.8360  147.241   8.6002  145.491   12.236  148.950   12.090  231.485   9.7824  234.248   9.5513 -2.762375 13.67194 
1 1 1   24   18    7 o  110.775   10.337   33.521   6.1621   29.534   8.5423   37.846   8.8977  103.860   15.221  117.690   13.991 -13.82980 20.67417 
1 1 1   24   18    8 o  227.617   9.2642  140.709   11.395   0.0000   0.0000  140.709   11.395  ?   ?   227.617   9.2642      ?      ? 
1 1 1   24   18    9 o  308.384   8.9142  258.229   14.855   0.0000   0.0000  258.229   14.855  ?   ?   308.384   8.9142      ?      ? 
1 1 1   24   18   10 o   53.282   14.176   4.7483   5.8003   0.1596   7.9046   10.101   8.5375   44.183   18.827   62.382   21.199 -18.19918 28.35246 
1 1 1   24   18   11 o  394.286   11.599  423.649   24.713  423.649   24.713   0.0000   0.0000  394.286   11.599  ?   ?       ?      ? 
1 1 1   24   18   12 o   62.883   17.748   7.2547   7.0905   8.2781   7.6147   0.5806   19.446   57.479   20.002   68.288   29.324 -10.80877 35.49622 
1 1 1   24   18   13 o   80.466   33.161   8.2004   23.297   8.2004   23.297   0.0000   0.0000   80.466   33.161  ?   ?       ?      ? 
1 1 1   24   18   14 o  184.952   17.394  101.130   16.171   76.599   24.410  120.315   21.587  161.574   29.026  208.331   19.176 -46.75708 34.78797 
1 1 1   24   18   16 o  153.093   8.9477   63.739   7.4021   0.0000   0.0000   63.739   7.4021  ?   ?   153.093   8.9477      ?      ? 
1 1 1   24   18   17 o   95.821   11.531   25.097   5.9703   0.0000   0.0000   25.097   5.9703  ?   ?    95.821   11.531      ?      ? 
1 1 1   24   18   18 o  151.931   8.0450   62.740   6.6048   0.0000   0.0000   62.740   6.6048  ?   ?   151.931   8.0450      ?      ? 
1 1 1   24   18   19 o  412.584   8.7286  463.281   19.460   0.0000   0.0000  463.281   19.460  ?   ?   412.584   8.7286      ?      ? 
1 1 1   24   18   20 o   52.239   16.882   7.4040   5.4314   0.0000   0.0000   7.4040   5.4314  ?   ?    52.239   16.882      ?      ? 
1 1 1   24   18   21 o   35.450   15.171  -0.0545   5.1736   0.0000   0.0000  -0.0545   5.1736  ?   ?    35.450   15.171      ?      ? 
1 1 1   24   18   22 o  197.061   6.6182  105.435   7.0474   0.0000   0.0000  105.435   7.0474  ?   ?   197.061   6.6182      ?      ? 
1 1 1   24   18   23 o  153.817   7.4785   64.367   6.2160   0.0000   0.0000   64.367   6.2160  ?   ?   153.817   7.4785      ?      ? 
1 1 1   24   18   24 o  296.161   7.6668  238.840   12.270   0.0000   0.0000  238.840   12.270  ?   ?   296.161   7.6668      ?      ? 
1 1 1   24   18   25 o  213.539   6.1740  123.855   7.1241   0.0000   0.0000  123.855   7.1241  ?   ?   213.539   6.1740      ?      ? 
1 1 1   24   18   26 o  171.454   6.7048   79.945   6.2118   0.0000   0.0000   79.945   6.2118  ?   ?   171.454   6.7048      ?      ? 
1 1 1   24   18   27 o  133.312   7.5529   48.444   5.4409   0.0000   0.0000   48.444   5.4409  ?   ?   133.312   7.5529      ?      ? 
1 1 1   24   18   28 o  132.767   7.6350   48.104   5.4776   0.0000   0.0000   48.104   5.4776  ?   ?   132.767   7.6350      ?      ? 
1 1 1   24   18   29 o  284.060   7.6865  220.390   11.798   0.0000   0.0000  220.390   11.798  ?   ?   284.060   7.6865      ?      ? 
1 1 1   24   18   30 o  276.272   7.5765  208.497   11.311   0.0000   0.0000  208.497   11.311  ?   ?   276.272   7.5765      ?      ? 
1 1 1   24   18   31 o   72.044   13.303   14.957   4.9882   0.0000   0.0000   14.957   4.9882  ?   ?    72.044   13.303      ?      ? 
1 1 1   24   18   32 o  128.529   7.9759   45.265   5.5395   0.0000   0.0000   45.265   5.5395  ?   ?   128.529   7.9759      ?      ? 
1 1 1   24   18   33 o   89.096   10.239   21.963   4.9293   0.0000   0.0000   21.963   4.9293  ?   ?    89.096   10.239      ?      ? 
1 1 1   24   18   34 o  102.499   8.7284   28.924   4.8344   0.0000   0.0000   28.924   4.8344  ?   ?   102.499   8.7284      ?      ? 
1 1 1   24   18   35 o   34.941   14.339   1.4800   4.3327   0.0000   0.0000   1.4800   4.3327  ?   ?    34.941   14.339      ?      ? 
1 1 1   24   18   36 o  206.557   6.3855  116.620   7.1273   0.0000   0.0000  116.620   7.1273  ?   ?   206.557   6.3855      ?      ? 
1 1 1   24   18   37 o   63.035   12.953   11.636   4.2645   0.0000   0.0000   11.636   4.2645  ?   ?    63.035   12.953      ?      ? 
1 1 1   24   18   38 o  122.148   6.9771   40.903   4.6052   0.0000   0.0000   40.903   4.6052  ?   ?   122.148   6.9771      ?      ? 
1 1 1   24   18   39 o   33.724   13.654   1.6989   3.8652   0.0000   0.0000   1.6989   3.8652  ?   ?    33.724   13.654      ?      ? 
1 1 1   24   18   40 o   77.536   9.9072   16.805   4.1509   0.0000   0.0000   16.805   4.1509  ?   ?    77.536   9.9072      ?      ? 
1 1 1   24   18   41 o  145.197   6.2925   57.878   4.9371   0.0000   0.0000   57.878   4.9371  ?   ?   145.197   6.2925      ?      ? 
1 1 1   24   18   42 o  124.010   9.9020   41.849   5.5428   51.712   12.099   39.230   6.2357  130.013   17.221  118.007   9.7789 12.00565 19.80403 
1 1 1   24   18   43 o  151.758   8.6341   64.649   5.0569   67.973   12.994   64.055   5.4896  150.927   15.933  152.589   6.6577 -1.662903 17.26820 
1 1 1   24   18   44 o   56.536   12.635   10.975   4.1698   0.1822   11.498   12.610   4.4744   48.173   21.543   64.898   13.208 -16.72411 25.26988 
1 1 1   24   18   45 o   70.871   13.431   19.284   5.4418   10.718   11.302   21.869   6.2090   56.763   23.210   84.980   13.521 -28.21676 26.86129 
1 1 1   24   18   46 o   91.570   10.777   25.347   5.1693   29.770   8.1375   22.355   6.6933   98.500   15.289   84.641   15.193 13.85874 21.55362 
1 1 1   24   18   47 o   45.233   11.753   3.0180   4.9654 -10.1572   7.6754   12.500   6.5115   30.184   14.692   60.282   18.347 -30.09761 23.50514 
1 1 1   24   19    0 o  325.241   8.1457  288.152   14.316  290.540   20.347  285.811   20.145  326.573   11.530  323.909   11.509 2.664276 16.29139 
1 1 1   24   19    1 o  285.623   7.9569  221.605   12.261  239.865   17.811  205.158   16.904  296.808   11.105  274.439   11.398 22.36844 15.91386 
1 1 1   24   19    2 o  235.786   8.1352  151.597   10.353  159.640   14.623  143.514   14.660  242.117   11.177  229.455   11.824 12.66180 16.27042 
1 1 1   24   19    3 o  385.275   8.5252  404.652   17.746  414.865   25.338  394.820   24.861  390.055   12.021  380.495   12.092 9.560242 17.05047 
1 1 1   24   19    4 o   69.767   15.535   12.737   6.7903   7.3153   9.2892   18.959   9.9508   58.370   21.844   81.164   22.095 -22.79407 31.07041 
1 1 1   24   19    5 o  150.294   9.7402   62.172   7.8544   66.599   10.757   57.117   11.495  156.192   12.745  144.397   14.732 11.79509 19.48035 
1 1 1   24   19    6 o  115.167   11.765   36.439   7.3146   35.766   10.091   37.185   10.618  114.079   16.370  116.255   16.902 -2.175980 23.52971 
1 1 1   24   19    7 o  275.647   7.6896  206.996   11.445  215.563   16.141  198.333   16.230  281.436   10.613  269.857   11.130 11.57904 15.37918 
1 1 1   24   19    8 o  219.981   7.6414  131.261   8.9745  128.643   11.761  134.910   13.886  217.485   10.007  222.477   11.550 -4.991180 15.28273 
1 1 1   24   19    9 o  160.913   13.157   70.788   11.440   0.0000   0.0000   70.788   11.440  ?   ?   160.913   13.157      ?      ? 
1 1 1   24   19   10 o  122.182   10.301   40.829   6.7649   39.823   9.0640   42.095   10.164  120.569   13.912  123.796   15.195 -3.227135 20.60156 
1 1 1   24   19   11 o   63.897   14.827   10.990   6.0748   14.097   8.1049   7.0068   9.1767   70.301   20.240   57.492   21.673 12.80887 29.65396 
1 1 1   24   19   12 o  107.809   11.378   33.153   6.3025   36.847   8.3936   28.378   9.5428  115.946   13.397   99.673   18.396 16.27320 22.75683 
1 1 1   24   19   13 o  118.273   9.7975   38.301   6.1906   37.672   8.1351   39.167   9.5418  117.258   12.839  119.288   14.803 -2.030365 19.59495 
1 1 1   24   19   14 o   44.902   12.879   2.0762   4.9764   4.7973   7.0546  -0.6191   7.0210   49.365   18.907   40.438   17.493 8.927582 25.75849 
1 1 1   24   19   15 o  107.811   10.487   33.979   5.5692   21.214   7.9936   46.019   7.7635   85.857   17.814  129.766   11.072 -43.90958 20.97395 
1 1 1   24   19   16 o  227.642   13.151  142.342   16.177   0.0000   0.0000  142.342   16.177  ?   ?   227.642   13.151      ?      ? 
1 1 1   24   19   17 o  128.521   19.185   46.261   13.324   0.0000   0.0000   46.261   13.324  ?   ?   128.521   19.185      ?      ? 
1 1 1   24   19   18 o  196.586   15.290  106.937   16.242   0.0000   0.0000  106.937   16.242  ?   ?   196.586   15.290      ?      ? 
1 1 1   24   19   19 o  209.990   14.578  121.914   16.542   0.0000   0.0000  121.914   16.542  ?   ?   209.990   14.578      ?      ? 
1 1 1   24   19   20 o  175.393   11.049   84.324   10.472   0.0000   0.0000   84.324   10.472  ?   ?   175.393   11.049      ?      ? 
1 1 1   24   19   21 f  136.128   10.526   50.785   7.7430   0.0000   0.0000   50.785   7.7430  ?   ?   136.128   10.526      ?      ? 
1 1 1   24   19   22 o  104.061   12.232   29.853   6.8781   0.0000   0.0000   29.853   6.8781  ?   ?   104.061   12.232      ?      ? 
1 1 1   24   19   23 o   58.209   18.249   9.5726   6.3860   0.0000   0.0000   9.5726   6.3860  ?   ?    58.209   18.249      ?      ? 
1 1 1   24   19   24 o   76.529   15.896   16.970   6.3589   0.0000   0.0000   16.970   6.3589  ?   ?    76.529   15.896      ?      ? 
1 1 1   24   19   25 o  195.914   7.9635  104.747   8.4306   0.0000   0.0000  104.747   8.4306  ?   ?   195.914   7.9635      ?      ? 
1 1 1   24   19   27 o  134.533   9.2671   49.678   6.7369   0.0000   0.0000   49.678   6.7369  ?   ?   134.533   9.2671      ?      ? 
1 1 1   24   19   28 o  171.160   8.0116   80.129   7.4098   0.0000   0.0000   80.129   7.4098  ?   ?   171.160   8.0116      ?      ? 
1 1 1   24   19   30 o   87.304   18.888   22.933   8.6519   0.0000   0.0000   22.933   8.6519  ?   ?    87.304   18.888      ?      ? 
1 1 1   24   19   31 o  155.387   7.7705   66.132   6.5246   0.0000   0.0000   66.132   6.5246  ?   ?   155.387   7.7705      ?      ? 
1 1 1   24   19   32 o  119.770   8.0368   39.370   5.2014   0.0000   0.0000   39.370   5.2014  ?   ?   119.770   8.0368      ?      ? 
1 1 1   24   19   33 o  111.220   8.2648   34.021   4.9671   0.0000   0.0000   34.021   4.9671  ?   ?   111.220   8.2648      ?      ? 
1 1 1   24   19   34 o   79.443   10.762   17.604   4.6200   0.0000   0.0000   17.604   4.6200  ?   ?    79.443   10.762      ?      ? 
1 1 1   24   19   35 o  140.642   7.0395   54.230   5.3499   0.0000   0.0000   54.230   5.3499  ?   ?   140.642   7.0395      ?      ? 
1 1 1   24   19   36 o   79.237   10.605   17.530   4.5409   0.0000   0.0000   17.530   4.5409  ?   ?    79.237   10.605      ?      ? 
1 1 1   24   19   37 o  107.746   8.1470   32.033   4.7434   0.0000   0.0000   32.033   4.7434  ?   ?   107.746   8.1470      ?      ? 
1 1 1   24   19   38 o  164.223   6.4961   73.945   5.7647   0.0000   0.0000   73.945   5.7647  ?   ?   164.223   6.4961      ?      ? 
1 1 1   24   19   39 o   46.600   14.794   6.3425   4.1853   0.0000   0.0000   6.3425   4.1853  ?   ?    46.600   14.794      ?      ? 
1 1 1   24   19   40 o  113.410   7.4853   35.611   4.5872   0.0000   0.0000   35.611   4.5872  ?   ?   113.410   7.4853      ?      ? 
1 1 1   24   19   41 o  100.016   8.6281   27.887   4.6631   0.0000   0.0000   27.887   4.6631  ?   ?   100.016   8.6281      ?      ? 
1 1 1   24   19   42 o  236.891   5.7650  153.669   7.3797   0.0000   0.0000  153.669   7.3797  ?   ?   236.891   5.7650      ?      ? 
1 1 1   24   19   43 o   56.602   12.478   11.183   4.1492   2.2493   10.580   12.807   4.5105   48.116   21.132   65.087   13.275 -16.97080 24.95545 
1 1 1   24   19   44 o   91.212   12.211   19.988   4.3131   40.811   12.045   16.926   4.6194  106.457   21.675   75.966   11.253 30.49181 24.42256 
1 1 1   24   19   45 f   49.384   13.715   3.9583   3.7613   14.583   10.765   2.4809   4.0143   63.630   23.574   35.139   14.024 28.49065 27.43005 
1 1 1   24   19   46 o   68.569   13.978   18.366   5.6598   11.777   10.888   20.806   6.6253   57.182   22.999   79.956   15.894 -22.77390 27.95664 
1 1 1   24   20    0 o   96.710   12.727   26.372   6.4019   16.982   8.7324   37.284   9.4131   76.840   20.607  116.580   14.942 -39.74046 25.45427 
1 1 1   24   20    1 o  250.681   9.5970  170.874   13.000   0.0000   0.0000  170.874   13.000  ?   ?   250.681   9.5970      ?      ? 
1 1 1   24   20    2 o  176.254   7.9289   84.740   7.5462   82.057   10.750   87.347   10.595  173.466   11.469  179.043   10.951 -5.577118 15.85772 
1 1 1   24   20    3 o  120.450   10.421   40.116   6.7080   33.508   9.5152   46.646   9.4580  110.352   15.957  130.548   13.407 -20.19585 20.84188 
1 1 1   24   20    5 o  207.952   7.7483  117.658   8.6681  120.518   12.947  115.335   11.670  210.160   11.400  205.745   10.496 4.414856 15.49652 
1 1 1   24   20    6 o  189.504   8.2024   97.059   8.3388  115.135   12.448   82.345   11.231  205.411   11.215  173.597   11.973 31.81461 16.40488 
1 1 1   24   20    7 o  101.252   13.145   29.977   6.9894   52.230   10.264   10.737   9.5442  137.966   13.768   64.538   22.397 73.42755 26.29025 
1 1 1   24   20    8 o  197.457   7.7634  105.834   8.2603  115.653   12.227   97.589   11.204  205.833   10.993  189.081   10.965 16.75177 15.52688 
1 1 1   24   20    9 o  152.693   8.9694   62.541   7.3085   78.198   11.226   51.023   9.6285  168.995   12.293  136.391   13.064 32.60416 17.93878 
1 1 1   24   20   10 o   53.034   14.720   4.7829   6.2367   7.0225   8.5388   2.2218   9.1311   56.230   20.963   49.838   20.669 6.392094 29.43924 
1 1 1   24   20   11 o  212.090   7.8074  123.192   8.9223  133.198   12.580  113.063   12.657  220.882   10.540  203.298   11.521 17.58374 15.61484 
1 1 1   24   20   12 o   65.219   15.041   11.475   6.1013   9.4189   8.2413   13.968   9.0761   60.251   20.818   70.187   21.715 -9.935818 30.08181 
1 1 1   24   20   13 o  111.254   10.712   33.568   6.3797   28.851   8.3989   40.000   9.8088  102.176   15.212  120.331   15.085 -18.15475 21.42348 
1 1 1   24   20   14 o   49.416   14.112   2.2893   5.8448  -0.9261   7.5555   7.0811   9.2235   41.473   18.044   57.360   21.703 -15.88700 28.22374 
1 1 1   24   20   15 o  207.384   7.5675  117.842   8.4581  126.982   11.922  108.581   12.001  215.602   10.233  199.166   11.151 16.43648 15.13501 
1 1 1   24   20   16 o   90.595   16.279   23.466   7.6762   0.0000   0.0000   23.466   7.6762  ?   ?    90.595   16.279      ?      ? 
1 1 1   24   20   17 o  266.129   11.840  194.593   17.026   0.0000   0.0000  194.593   17.026  ?   ?   266.129   11.840      ?      ? 
1 1 1   24   20   18 o  159.763   9.9981   69.855   8.6314   0.0000   0.0000   69.855   8.6314  ?   ?   159.763   9.9981      ?      ? 
1 1 1   24   20   19 o  201.903   8.6528  111.257   9.4404   0.0000   0.0000  111.257   9.4404  ?   ?   201.903   8.6528      ?      ? 
1 1 1   24   20   20 o   81.746   32.745   14.640   21.974   0.0000   0.0000   14.640   21.974  ?   ?    81.746   32.745      ?      ? 
1 1 1   24   20   21 o   93.517   23.035   26.374   11.564   0.0000   0.0000   26.374   11.564  ?   ?    93.517   23.035      ?      ? 
1 1 1   24   20   22 o  175.263   13.235   85.225   12.534   0.0000   0.0000   85.225   12.534  ?   ?   175.263   13.235      ?      ? 
1 1 1   24   20   23 o  262.919   10.439  190.152   14.831   0.0000   0.0000  190.152   14.831  ?   ?   262.919   10.439      ?      ? 
1 1 1   24   20   24 o  138.366   15.291   53.904   11.432   0.0000   0.0000   53.904   11.432  ?   ?   138.366   15.291      ?      ? 
1 1 1   24   20   25 o   86.699   22.216   22.971   10.455   0.0000   0.0000   22.971   10.455  ?   ?    86.699   22.216      ?      ? 
1 1 1   24   20   26 o  127.388   8.7011   44.493   5.9895   0.0000   0.0000   44.493   5.9895  ?   ?   127.388   8.7011      ?      ? 
1 1 1   24   20   27 o   62.103   15.639   11.370   5.2449   0.0000   0.0000   11.370   5.2449  ?   ?    62.103   15.639      ?      ? 
1 1 1   24   20   28 o   61.028   15.541   10.995   5.1390   0.0000   0.0000   10.995   5.1390  ?   ?    61.028   15.541      ?      ? 
1 1 1   24   20   29 o  148.742   10.307   61.223   8.2847   0.0000   0.0000   61.223   8.2847  ?   ?   148.742   10.307      ?      ? 
1 1 1   24   20   30 f   36.574   15.088   1.5020   4.8288   0.0000   0.0000   1.5020   4.8288  ?   ?    36.574   15.088      ?      ? 
1 1 1   24   20   31 o  122.280   8.3674   41.139   5.5289   0.0000   0.0000   41.139   5.5289  ?   ?   122.280   8.3674      ?      ? 
1 1 1   24   20   32 o   53.846   15.953   8.5676   4.9720   0.0000   0.0000   8.5676   4.9720  ?   ?    53.846   15.953      ?      ? 
1 1 1   24   20   33 o  141.041   7.5873   54.660   5.7825   0.0000   0.0000   54.660   5.7825  ?   ?   141.041   7.5873      ?      ? 
1 1 1   24   20   34 o   31.860   13.920  -0.4824   4.5388   0.0000   0.0000  -0.4824   4.5388  ?   ?    31.860   13.920      ?      ? 
1 1 1   24   20   35 o  111.845   8.4526   34.545   5.1086   0.0000   0.0000   34.545   5.1086  ?   ?   111.845   8.4526      ?      ? 
1 1 1   24   20   36 o  130.860   7.6101   47.193   5.3813   0.0000   0.0000   47.193   5.3813  ?   ?   130.860   7.6101      ?      ? 
1 1 1   24   20   37 o  173.051   6.4470   82.104   6.0287   0.0000   0.0000   82.104   6.0287  ?   ?   173.051   6.4470      ?      ? 
1 1 1   24   20   38 o   92.500   9.8164   24.042   4.9066   0.0000   0.0000   24.042   4.9066  ?   ?    92.500   9.8164      ?      ? 
1 1 1   24   20   39 f  175.581   6.3496   84.790   6.0244   0.0000   0.0000   84.790   6.0244  ?   ?   175.581   6.3496      ?      ? 
1 1 1   24   20   40 o  127.545   8.1499   45.157   5.6170   0.0000   0.0000   45.157   5.6170  ?   ?   127.545   8.1499      ?      ? 
1 1 1   24   20   41 o  147.946   7.4180   60.531   5.9303   0.0000   0.0000   60.531   5.9303  ?   ?   147.946   7.4180      ?      ? 
1 1 1   24   20   42 o   43.166   15.613   5.4099   4.6787   0.0000   0.0000   5.4099   4.6787  ?   ?    43.166   15.613      ?      ? 
1 1 1   24   20   43 o  141.959   7.0525   56.083   5.4100   0.0000   0.0000   56.083   5.4100  ?   ?   141.959   7.0525      ?      ? 
1 1 1   24   20   44 o   48.182   13.738   4.0105   4.0344   13.032   10.805   2.5492   4.3489   60.438   23.335   35.925   14.505 24.51256 27.47564 
1 1 1   24   20   45 o   67.660   13.638   14.527   4.2284   19.957   10.706   13.523   4.6025   69.707   23.739   65.614   13.433 4.093361 27.27670 
1 1 1   24   21    0 o   94.865   13.195   25.948   6.5862   31.476   9.1792   20.081   9.4555  106.726   15.916   83.005   21.050 23.72102 26.39016 
1 1 1   24   21    2 o  187.526   7.8221   95.140   7.8513  115.560   11.693   78.376   10.595  205.771   10.516  169.281   11.582 36.49030 15.64427 
1 1 1   24   21    3 o  113.145   12.551   37.369   7.1058   51.335   10.057   23.445   10.042  136.669   13.617   89.620   21.087 47.04934 25.10192 
1 1 1   24   21    4 o  507.580   10.555  703.372   28.951   0.0000   0.0000  703.372   28.951  ?   ?   507.580   10.555      ?      ? 
1 1 1   24   21    6 o  168.455   8.1843   77.769   7.4351   83.137   10.495   72.360   10.535  174.379   11.138  162.531   11.995 11.84801 16.36867 
1 1 1   24   21    8 f   71.046   13.138   13.326   6.1971   26.529   8.7123  -0.1944   8.8168   96.301   17.382   45.792   19.707 50.50871 26.27697 
1 1 1   24   21    9 o   88.994   13.313   22.980   6.1932   23.729   8.5139   22.139   9.0255   90.770   17.994   87.217   19.625 3.552757 26.62544 
1 1 1   24   21   10 o  210.183   7.0529  120.594   8.0104  120.940   11.320  120.247   11.337  210.490   9.9520  209.876   9.9967 0.6135559 14.10585 
1 1 1   24   21   11 o  213.047   9.9936  123.954   11.505   0.0000   0.0000  123.954   11.505  ?   ?   213.047   9.9936      ?      ? 
1 1 1   24   21   13 o   46.326   13.187   2.3085   5.0956   6.0495   7.9129  -0.3419   6.6604   53.065   20.096   39.587   17.082 13.47779 26.37488 
1 1 1   24   21   14 o  152.236   11.722   63.716   9.6428   63.716   9.6428   0.0000   0.0000  152.236   11.722  ?   ?       ?      ? 
1 1 1   24   21   15 f  114.594   13.702   36.369   8.4846   0.0000   0.0000   36.369   8.4846  ?   ?   114.594   13.702      ?      ? 
1 1 1   24   21   16 o  216.825   8.4982  128.283   9.9569   0.0000   0.0000  128.283   9.9569  ?   ?   216.825   8.4982      ?      ? 
1 1 1   24   21   17 o   79.504   15.346   18.190   6.3539   0.0000   0.0000   18.190   6.3539  ?   ?    79.504   15.346      ?      ? 
1 1 1   24   21   18 o  149.283   9.2708   60.970   7.4785   0.0000   0.0000   60.970   7.4785  ?   ?   149.283   9.2708      ?      ? 
1 1 1   24   21   19 o   47.149   17.760   4.8689   6.1595   0.0000   0.0000   4.8689   6.1595  ?   ?    47.149   17.760      ?      ? 
1 1 1   24   21   20 o  174.336   8.1819   83.022   7.7078   0.0000   0.0000   83.022   7.7078  ?   ?   174.336   8.1819      ?      ? 
1 1 1   24   21   21 f   51.658   17.574   7.1872   5.8671   0.0000   0.0000   7.1872   5.8671  ?   ?    51.658   17.574      ?      ? 
1 1 1   24   21   22 o   31.224   14.377  -3.8784   5.6006   0.0000   0.0000  -3.8784   5.6006  ?   ?    31.224   14.377      ?      ? 
1 1 1   24   21   23 o   54.928   17.246   8.6156   5.7013   0.0000   0.0000   8.6156   5.7013  ?   ?    54.928   17.246      ?      ? 
1 1 1   24   21   24 o   26.781   12.906  -8.0977   5.5576   0.0000   0.0000  -8.0977   5.5576  ?   ?    26.781   12.906      ?      ? 
1 1 1   24   21   25 o  126.227   12.756   44.580   8.7009   0.0000   0.0000   44.580   8.7009  ?   ?   126.227   12.756      ?      ? 
1 1 1   24   21   26 o   76.159   23.239   17.940   10.436   0.0000   0.0000   17.940   10.436  ?   ?    76.159   23.239      ?      ? 
1 1 1   24   21   27 f   86.200   22.222   23.157   10.417   0.0000   0.0000   23.157   10.417  ?   ?    86.200   22.222      ?      ? 
1 1 1   24   21   28 o   86.906   21.797   23.607   10.218   0.0000   0.0000   23.607   10.218  ?   ?    86.906   21.797      ?      ? 
1 1 1   24   21   29 o  133.464   15.934   51.348   11.491   0.0000   0.0000   51.348   11.491  ?   ?   133.464   15.934      ?      ? 
1 1 1   24   21   30 o   49.133   21.472   0.4925   10.803   0.0000   0.0000   0.4925   10.803  ?   ?    49.133   21.472      ?      ? 
1 1 1   24   21   31 o   43.235   19.876  -5.0757   10.645   0.0000   0.0000  -5.0757   10.645  ?   ?    43.235   19.876      ?      ? 
1 1 1   24   21   32 o   62.378   23.773   10.580   11.118   0.0000   0.0000   10.580   11.118  ?   ?    62.378   23.773      ?      ? 
1 1 1   24   21   33 o   47.915   21.160  -0.2481   10.745   0.0000   0.0000  -0.2481   10.745  ?   ?    47.915   21.160      ?      ? 
1 1 1   24   21   34 o   71.859   24.242   16.893   11.163   0.0000   0.0000   16.893   11.163  ?   ?    71.859   24.242      ?      ? 
1 1 1   24   21   35 o  134.090   16.462   53.217   11.928   0.0000   0.0000   53.217   11.928  ?   ?   134.090   16.462      ?      ? 
1 1 1   24   21   36 o   73.000   24.191   18.152   11.122   0.0000   0.0000   18.152   11.122  ?   ?    73.000   24.191      ?      ? 
1 1 1   24   21   38 o   76.549   25.109   20.709   11.994   0.0000   0.0000   20.709   11.994  ?   ?    76.549   25.109      ?      ? 
1 1 1   24   21   39 o  141.649   16.956   60.591   12.978   0.0000   0.0000   60.591   12.978  ?   ?   141.649   16.956      ?      ? 
1 1 1   24   21   40 o   47.858   21.558   0.5299   11.745   0.0000   0.0000   0.5299   11.745  ?   ?    47.858   21.558      ?      ? 
1 1 1   24   21   41 o   54.226   22.871   8.7460   11.466   0.0000   0.0000   8.7460   11.466  ?   ?    54.226   22.871      ?      ? 
1 1 1   24   21   42 o  105.602   21.713   38.906   11.976   0.0000   0.0000   38.906   11.976  ?   ?   105.602   21.713      ?      ? 
1 1 1   24   21   43 o   48.461   21.552   3.9519   11.339   0.0000   0.0000   3.9519   11.339  ?   ?    48.461   21.552      ?      ? 
1 1 1   24   22    0 o  119.679   10.967   39.714   7.0710   43.328   10.028   36.140   9.9723  125.229   14.819  114.130   16.170 11.09928 21.93308 
1 1 1   24   22    1 o  237.673   6.9608  154.112   8.9345  155.384   12.880  152.933   12.404  238.582   9.9905  236.764   9.6953 1.818207 13.92153 
1 1 1   24   22    2 o  257.664   9.5674  181.096   13.321   0.0000   0.0000  181.096   13.321  ?   ?   257.664   9.5674      ?      ? 
1 1 1   24   22    3 o  243.007   7.1001  159.525   9.2691  184.729   13.906  139.375   12.434  260.132   9.8931  225.883   10.187 34.24922 14.20016 
1 1 1   24   22    5 f   91.784   13.638   24.251   6.7033   32.312   9.6711   16.797   9.2995  107.722   16.614   75.847   21.632 31.87519 27.27560 
1 1 1   24   22    6 o  214.270   7.1961  125.547   8.3294  127.679   11.708  123.362   11.852  216.150   10.024  212.390   10.327 3.759827 14.39215 
1 1 1   24   22    7 o  124.604   9.8941   42.655   6.6206   36.494   9.0171   49.862   9.7519  114.790   14.537  134.419   13.426 -19.62906 19.78826 
1 1 1   24   22    8 o  251.943   6.7289  173.309   9.1565  180.982   13.120  166.022   12.785  257.401   9.4328  246.485   9.5988 10.91559 13.45786 
1 1 1   24   22    9 o   74.082   14.495   16.270   6.0703   18.920   8.2267   13.103   8.9939   80.277   19.220   67.887   21.702 12.38980 28.98910 
1 1 1   24   22   10 o  158.542   8.3138   69.101   7.0894   60.525   9.8425   78.348   10.220  148.194   12.291  168.889   11.198 -20.69548 16.62754 
1 1 1   24   22   11 f   68.281   14.045   12.390   5.9027   5.4366   7.8952   21.201   8.8881   51.777   19.959   84.786   19.765 -33.00918 28.08904 
1 1 1   24   22   12 o  137.806   8.7452   52.068   6.4888   46.653   8.8144   58.474   9.5874  129.992   12.548  145.621   12.184 -15.62918 17.49041 
1 1 1   24   22   13 o   43.890   13.048   0.8869   5.2003   3.3108   8.1129  -0.8036   6.7753   48.640   19.751   39.141   17.057 9.498722 26.09678 
1 1 1   24   22   14 o  116.986   8.7071   37.785   5.4796   37.905   8.1455   37.686   7.4059  117.036   12.880  116.935   11.720 0.1013489 17.41426 
1 1 1   24   22   15 o  106.583   15.084   31.751   8.6875   0.0000   0.0000   31.751   8.6875  ?   ?   106.583   15.084      ?      ? 
1 1 1   24   22   16 o  107.402   12.636   31.961   7.3336   0.0000   0.0000   31.961   7.3336  ?   ?   107.402   12.636      ?      ? 
1 1 1   24   22   17 o  117.851   10.634   38.249   6.7721   0.0000   0.0000   38.249   6.7721  ?   ?   117.851   10.634      ?      ? 
1 1 1   24   22   18 o  205.810   7.3158  115.549   8.1361   0.0000   0.0000  115.549   8.1361  ?   ?   205.810   7.3158      ?      ? 
1 1 1   24   22   19 o   53.807   17.852   8.0227   6.0564   0.0000   0.0000   8.0227   6.0564  ?   ?    53.807   17.852      ?      ? 
1 1 1   24   22   20 o   56.388   17.744   9.1077   6.0312   0.0000   0.0000   9.1077   6.0312  ?   ?    56.388   17.744      ?      ? 
1 1 1   24   22   21 o   96.672   12.318   26.026   6.4346   0.0000   0.0000   26.026   6.4346  ?   ?    96.672   12.318      ?      ? 
1 1 1   24   22   22 o  125.398   10.163   43.437   6.8864   0.0000   0.0000   43.437   6.8864  ?   ?   125.398   10.163      ?      ? 
1 1 1   24   22   23 o  131.979   9.4007   47.987   6.7043   0.0000   0.0000   47.987   6.7043  ?   ?   131.979   9.4007      ?      ? 
1 1 1   24   22   24 o   41.156   16.646   2.5541   5.7379   0.0000   0.0000   2.5541   5.7379  ?   ?    41.156   16.646      ?      ? 
1 1 1   24   22   25 o   54.751   17.612   8.6405   5.9163   0.0000   0.0000   8.6405   5.9163  ?   ?    54.751   17.612      ?      ? 
1 1 1   24   22   26 o   99.396   11.443   27.587   6.1461   0.0000   0.0000   27.587   6.1461  ?   ?    99.396   11.443      ?      ? 
1 1 1   24   22   27 o   38.480   16.004   1.5589   5.4963   0.0000   0.0000   1.5589   5.4963  ?   ?    38.480   16.004      ?      ? 
1 1 1   24   22   28 o  110.645   9.9932   34.015   5.9748   0.0000   0.0000   34.015   5.9748  ?   ?   110.645   9.9932      ?      ? 
1 1 1   24   22   29 o  188.402   7.2533   97.406   7.3843   0.0000   0.0000   97.406   7.3843  ?   ?   188.402   7.2533      ?      ? 
1 1 1   24   22   30 o   54.835   16.852   8.9302   5.4767   0.0000   0.0000   8.9302   5.4767  ?   ?    54.835   16.852      ?      ? 
1 1 1   24   22   31 o  114.170   13.779   37.292   8.5006   0.0000   0.0000   37.292   8.5006  ?   ?   114.170   13.779      ?      ? 
1 1 1   24   22   32 o   76.294   13.756   17.162   5.4624   0.0000   0.0000   17.162   5.4624  ?   ?    76.294   13.756      ?      ? 
1 1 1   24   22   33 f   34.030   14.832  -0.2155   5.1246   0.0000   0.0000  -0.2155   5.1246  ?   ?    34.030   14.832      ?      ? 
1 1 1   24   22   34 o   56.352   16.470   9.7570   5.3307   0.0000   0.0000   9.7570   5.3307  ?   ?    56.352   16.470      ?      ? 
1 1 1   24   22   35 o   26.096   12.553  -6.7801   5.1998   0.0000   0.0000  -6.7801   5.1998  ?   ?    26.096   12.553      ?      ? 
1 1 1   24   22   36 o   65.796   15.775   13.369   5.5359   0.0000   0.0000   13.369   5.5359  ?   ?    65.796   15.775      ?      ? 
1 1 1   24   22   37 o   47.533   16.830   6.3590   5.4064   0.0000   0.0000   6.3590   5.4064  ?   ?    47.533   16.830      ?      ? 
1 1 1   24   22   38 o   40.244   16.236   3.1579   5.4444   0.0000   0.0000   3.1579   5.4444  ?   ?    40.244   16.236      ?      ? 
1 1 1   24   22   39 o   38.851   15.979   3.0107   5.3956   0.0000   0.0000   3.0107   5.3956  ?   ?    38.851   15.979      ?      ? 
1 1 1   24   22   40 o   92.205   11.102   24.612   5.5315   0.0000   0.0000   24.612   5.5315  ?   ?    92.205   11.102      ?      ? 
1 1 1   24   22   41 o  126.196   8.4253   45.040   5.7454   0.0000   0.0000   45.040   5.7454  ?   ?   126.196   8.4253      ?      ? 
1 1 1   24   23    0 o  166.827   12.306   76.702   11.094   0.0000   0.0000   76.702   11.094  ?   ?   166.827   12.306      ?      ? 
1 1 1   24   23    1 o   73.528   15.785   15.694   6.8967   18.846   9.8220   12.629   9.6863   79.672   22.060   67.385   22.582 12.28635 31.56925 
1 1 1   24   23    2 o  159.919   8.9717   70.603   7.7461   66.914   10.903   74.363   11.007  155.626   12.965  164.212   12.405 -8.586685 17.94333 
1 1 1   24   23    3 o   83.490   13.906   20.705   6.5903   29.308   9.1131   11.274   9.5418  102.284   16.488   64.696   22.397 37.58744 27.81191 
1 1 1   24   23    4 o   81.126   14.498   19.494   6.3505   19.462   8.7276   19.530   9.2578   81.140   20.027   81.113   20.968 0.2737427E-01 28.99555 
1 1 1   24   23    5 o   90.622   13.822   23.823   6.7465   17.080   9.3479   31.155   9.7466   75.980   21.694  105.265   17.135 -29.28535 27.64477 
1 1 1   24   23    6 o   61.156   14.214   8.0804   6.2423  -1.0339   8.5883   18.288   9.0890   43.821   19.147   78.491   21.012 -34.67058 28.42777 
1 1 1   24   23    7 o   74.090   12.455   12.566   6.5283  -4.3007   8.8937   32.270   9.6130   40.973   18.579  107.208   16.594 -66.23511 24.91075 
1 1 1   24   23    8 o   68.391   13.248   12.024   6.1690   24.917   8.7261  -0.8575   8.7225   92.447   18.116   44.334   19.336 48.11287 26.49638 
1 1 1   24   23    9 o   55.471   14.808   6.8265   6.0641   5.5727   8.2785   8.2784   8.9080   52.608   20.393   58.333   21.475 -5.724869 29.61558 
1 1 1   24   23   10 o   93.963   12.655   25.649   6.2473   27.913   8.5235   23.021   9.1833   99.767   15.810   88.159   19.765 11.60758 25.31076 
1 1 1   24   23   11 o   64.241   14.732   11.377   6.0971   16.124   8.5867   6.5494   8.6589   73.659   20.709   54.824   20.959 18.83524 29.46452 
1 1 1   24   23   12 o   51.575   13.787   5.6632   5.1955   7.7410   8.1753   4.2554   6.7291   56.104   20.586   47.046   18.345 9.057407 27.57345 
1 1 1   24   23   13 o  158.877   7.4274   68.453   6.2138   74.144   10.145   65.036   7.8607  163.797   11.462  153.958   9.4487 9.838516 14.85474 
1 1 1   24   23   14 o  166.956   9.1225   76.448   8.2300   0.0000   0.0000   76.448   8.2300  ?   ?   166.956   9.1225      ?      ? 
1 1 1   24   23   15 o   75.128   17.586   16.711   7.0131   0.0000   0.0000   16.711   7.0131  ?   ?    75.128   17.586      ?      ? 
1 1 1   24   23   16 o  130.290   12.911   47.312   9.0901   0.0000   0.0000   47.312   9.0901  ?   ?   130.290   12.911      ?      ? 
1 1 1   24   23   17 o  139.972   9.6966   53.914   7.3341   0.0000   0.0000   53.914   7.3341  ?   ?   139.972   9.6966      ?      ? 
1 1 1   24   23   18 o   38.860   16.756   0.0285   6.3999   0.0000   0.0000   0.0285   6.3999  ?   ?    38.860   16.756      ?      ? 
1 1 1   24   23   19 f   49.757   18.293   6.1022   6.4607   0.0000   0.0000   6.1022   6.4607  ?   ?    49.757   18.293      ?      ? 
1 1 1   24   23   20 o   44.866   17.634   3.8609   6.2577   0.0000   0.0000   3.8609   6.2577  ?   ?    44.866   17.634      ?      ? 
1 1 1   24   23   21 o   90.163   13.193   22.835   6.4278   0.0000   0.0000   22.835   6.4278  ?   ?    90.163   13.193      ?      ? 
1 1 1   24   23   22 o   47.804   17.583   5.6336   5.9697   0.0000   0.0000   5.6336   5.9697  ?   ?    47.804   17.583      ?      ? 
1 1 1   24   23   23 o   72.934   16.076   15.831   6.1651   0.0000   0.0000   15.831   6.1651  ?   ?    72.934   16.076      ?      ? 
1 1 1   24   23   24 o  159.562   8.2027   70.018   7.0725   0.0000   0.0000   70.018   7.0725  ?   ?   159.562   8.2027      ?      ? 
1 1 1   24   23   25 o   52.897   17.864   7.9528   6.0622   0.0000   0.0000   7.9528   6.0622  ?   ?    52.897   17.864      ?      ? 
1 1 1   24   23   26 o  127.476   9.3765   45.039   6.4589   0.0000   0.0000   45.039   6.4589  ?   ?   127.476   9.3765      ?      ? 
1 1 1   24   23   27 o   74.870   14.950   16.629   5.8368   0.0000   0.0000   16.629   5.8368  ?   ?    74.870   14.950      ?      ? 
1 1 1   24   23   28 o  108.339   10.297   32.717   6.0282   0.0000   0.0000   32.717   6.0282  ?   ?   108.339   10.297      ?      ? 
1 1 1   24   23   29 o   83.655   12.760   19.903   5.7682   0.0000   0.0000   19.903   5.7682  ?   ?    83.655   12.760      ?      ? 
1 1 1   24   23   30 f   82.276   13.049   19.376   5.8014   0.0000   0.0000   19.376   5.8014  ?   ?    82.276   13.049      ?      ? 
1 1 1   24   23   31 o   68.610   15.798   14.313   5.7358   0.0000   0.0000   14.313   5.7358  ?   ?    68.610   15.798      ?      ? 
1 1 1   24   23   32 o   41.724   16.428   3.7079   5.4407   0.0000   0.0000   3.7079   5.4407  ?   ?    41.724   16.428      ?      ? 
1 1 1   24   23   33 o   70.636   15.360   15.358   5.6958   0.0000   0.0000   15.358   5.6958  ?   ?    70.636   15.360      ?      ? 
1 1 1   24   23   34 o   54.501   17.252   9.1435   5.6945   0.0000   0.0000   9.1435   5.6945  ?   ?    54.501   17.252      ?      ? 
1 1 1   24   23   35 o  159.293   8.5498   70.595   7.3594   0.0000   0.0000   70.595   7.3594  ?   ?   159.293   8.5498      ?      ? 
1 1 1   24   23   36 o   74.579   14.819   17.004   5.7617   0.0000   0.0000   17.004   5.7617  ?   ?    74.579   14.819      ?      ? 
1 1 1   24   23   37 o   48.832   17.091   7.5816   5.5631   0.0000   0.0000   7.5816   5.5631  ?   ?    48.832   17.091      ?      ? 
1 1 1   24   23   38 o   46.945   16.954   6.5711   5.5135   0.0000   0.0000   6.5711   5.5135  ?   ?    46.945   16.954      ?      ? 
1 1 1   24   23   39 f   92.986   11.208   25.202   5.6318   0.0000   0.0000   25.202   5.6318  ?   ?    92.986   11.208      ?      ? 
1 1 1   24   23   40 o  115.154   9.3427   38.151   5.8135   0.0000   0.0000   38.151   5.8135  ?   ?   115.154   9.3427      ?      ? 
1 1 1   24   24    0 o  150.591   9.4701   62.916   7.7011   63.836   11.126   62.070   10.671  151.590   13.582  149.592   13.201 1.997818 18.94016 
1 1 1   24   24    1 o   71.432   15.114   15.127   6.3474   17.280   8.5782   12.521   9.4362   76.213   20.418   66.652   22.289 9.560997 30.22744 
1 1 1   24   24    2 o   65.915   15.669   12.078   6.6605   14.584   9.4244   9.5779   9.4142   70.642   22.173   61.188   22.145 9.453903 31.33724 
1 1 1   24   24    3 o  333.049   9.7004  304.158   17.458   0.0000   0.0000  304.158   17.458  ?   ?   333.049   9.7004      ?      ? 
1 1 1   24   24    4 o  165.661   8.5747   75.953   7.6562   76.544   10.487   75.278   11.204  166.498   11.656  164.824   12.580 1.674103 17.14937 
1 1 1   24   24    5 o  130.350   9.7666   47.316   6.8694   46.550   9.4343   48.179   10.022  129.319   13.501  131.382   14.116 -2.062881 19.53312 
1 1 1   24   24    6 o  109.075   11.893   34.187   6.6959   25.961   9.2380   43.291   9.7193   93.767   18.885  124.382   14.461 -30.61516 23.78583 
1 1 1   24   24    7 o   91.009   13.707   24.461   6.5331   21.102   8.9107   28.366   9.6068   83.947   19.939   98.070   18.812 -14.12330 27.41334 
1 1 1   24   24    8 o   65.571   14.743   12.280   6.1875   17.229   8.5061   6.7197   9.0170   75.730   20.350   55.411   21.338 20.31885 29.48651 
1 1 1   24   24    9 o  174.461   7.8744   83.954   7.4165   79.964   10.237   88.362   10.759  170.105   11.137  178.816   11.135 -8.710464 15.74880 
1 1 1   24   24   10 o  183.451   11.164   93.037   11.067   0.0000   0.0000   93.037   11.067  ?   ?   183.451   11.164      ?      ? 
1 1 1   24   24   11 o   81.767   20.719   20.235   9.1658   0.0000   0.0000   20.235   9.1658  ?   ?    81.767   20.719      ?      ? 
1 1 1   24   24   12 o  203.799   6.8207  111.647   7.1351  122.545   12.413  106.269   8.7196  210.552   10.910  197.045   8.1892 13.50731 13.64145 
1 1 1   24   24   13 o  104.953   10.856   32.786   5.7219   24.865   8.6632   38.915   7.6207   91.579   18.148  118.327   11.919 -26.74806 21.71170 
1 1 1   24   24   14 o  231.935   8.0196  147.327   10.051   0.0000   0.0000  147.327   10.051  ?   ?   231.935   8.0196      ?      ? 
1 1 1   24   24   15 o   63.993   17.872   12.211   6.4175   0.0000   0.0000   12.211   6.4175  ?   ?    63.993   17.872      ?      ? 
1 1 1   24   24   16 o   72.550   20.071   16.008   8.1339   0.0000   0.0000   16.008   8.1339  ?   ?    72.550   20.071      ?      ? 
1 1 1   24   24   17 o  192.601   10.074  102.522   10.485   0.0000   0.0000  102.522   10.485  ?   ?   192.601   10.074      ?      ? 
1 1 1   24   24   18 o   50.634   18.795   6.2868   6.8493   0.0000   0.0000   6.2868   6.8493  ?   ?    50.634   18.795      ?      ? 
1 1 1   24   24   19 o   30.276   14.432  -7.7594   6.5416   0.0000   0.0000  -7.7594   6.5416  ?   ?    30.276   14.432      ?      ? 
1 1 1   24   24   20 o  148.033   8.7475   60.374   6.9973   0.0000   0.0000   60.374   6.9973  ?   ?   148.033   8.7475      ?      ? 
1 1 1   24   24   21 o   89.564   13.324   22.704   6.4482   0.0000   0.0000   22.704   6.4482  ?   ?    89.564   13.324      ?      ? 
1 1 1   24   24   22 o   92.012   13.280   24.002   6.6030   0.0000   0.0000   24.002   6.6030  ?   ?    92.012   13.280      ?      ? 
1 1 1   24   24   23 o   91.511   13.062   23.758   6.4593   0.0000   0.0000   23.758   6.4593  ?   ?    91.511   13.062      ?      ? 
1 1 1   24   24   24 f   31.689   14.652  -4.0236   5.9060   0.0000   0.0000  -4.0236   5.9060  ?   ?    31.689   14.652      ?      ? 
1 1 1   24   24   25 o  123.818   9.7407   42.590   6.5173   0.0000   0.0000   42.590   6.5173  ?   ?   123.818   9.7407      ?      ? 
1 1 1   24   24   26 o   61.867   17.855   11.699   6.3008   0.0000   0.0000   11.699   6.3008  ?   ?    61.867   17.855      ?      ? 
1 1 1   24   24   27 o  120.067   10.361   40.378   6.7225   0.0000   0.0000   40.378   6.7225  ?   ?   120.067   10.361      ?      ? 
1 1 1   24   24   28 o   40.921   16.857   2.4447   6.0170   0.0000   0.0000   2.4447   6.0170  ?   ?    40.921   16.857      ?      ? 
1 1 1   24   24   29 o   47.976   17.585   6.1436   5.9636   0.0000   0.0000   6.1436   5.9636  ?   ?    47.976   17.585      ?      ? 
1 1 1   24   24   30 o  111.452   10.666   35.205   6.4239   0.0000   0.0000   35.205   6.4239  ?   ?   111.452   10.666      ?      ? 
1 1 1   24   24   31 o   97.321   12.080   27.252   6.3528   0.0000   0.0000   27.252   6.3528  ?   ?    97.321   12.080      ?      ? 
1 1 1   24   24   32 o  128.193   9.8443   46.191   6.8193   0.0000   0.0000   46.191   6.8193  ?   ?   128.193   9.8443      ?      ? 
1 1 1   24   24   33 o  125.509   9.8679   44.256   6.6925   0.0000   0.0000   44.256   6.6925  ?   ?   125.509   9.8679      ?      ? 
1 1 1   24   24   34 o   42.672   16.936   4.0677   5.8254   0.0000   0.0000   4.0677   5.8254  ?   ?    42.672   16.936      ?      ? 
1 1 1   24   24   35 o   89.218   12.509   23.774   6.0306   0.0000   0.0000   23.774   6.0306  ?   ?    89.218   12.509      ?      ? 
1 1 1   24   24   36 o   65.332   16.279   13.769   5.7262   0.0000   0.0000   13.769   5.7262  ?   ?    65.332   16.279      ?      ? 
1 1 1   24   24   37 o   46.914   17.029   6.6346   5.5730   0.0000   0.0000   6.6346   5.5730  ?   ?    46.914   17.029      ?      ? 
1 1 1   24   24   38 f   39.898   16.188   3.6967   5.4451   0.0000   0.0000   3.6967   5.4451  ?   ?    39.898   16.188      ?      ? 
1 1 1   24   25    0 f   72.861   16.023   15.910   6.9783   16.034   9.8542   15.785   9.8835   73.100   22.628   72.621   22.692 0.4787903 32.04634 
1 1 1   24   25    1 o  106.379   12.509   32.879   7.0011   35.382   9.7775   30.246   10.029  111.715   16.197  101.042   19.068 10.67307 25.01841 
1 1 1   24   25    2 o  206.433   7.6764  117.372   8.5503  126.050   12.455  109.637   11.759  213.658   10.788  199.209   10.924 14.44926 15.35271 
1 1 1   24   25    3 o   80.374   15.291   19.590   6.8148   17.003   9.4572   22.384   9.8288   74.947   21.946   85.802   21.298 -10.85548 30.58193 
1 1 1   24   25    4 o   76.575   15.675   17.796   6.8575   16.697   9.5001   18.991   9.9087   74.282   22.062   78.868   22.272 -4.585693 31.34902 
1 1 1   24   25    5 o   59.405   14.460   8.7463   6.2551   15.558   8.4697   0.5734   9.2777   71.877   20.689   46.934   20.206 24.94324 28.91958 
1 1 1   24   25    6 o   98.714   12.479   29.231   6.3352   35.825   8.6734   21.689   9.2755  112.881   14.219   84.546   20.512 28.33540 24.95869 
1 1 1   24   25    7 o  142.958   9.3918   56.881   7.2288   53.190   9.7289   61.429   10.801  137.898   13.056  148.018   13.504 -10.11914 18.78362 
1 1 1   24   25    8 o   60.356   15.002   9.9897   6.1347   12.018   8.4439   7.7227   8.9278   64.157   21.069   56.555   21.363 7.602871 30.00480 
1 1 1   24   25    9 o   56.949   14.825   8.2164   5.9379   7.5455   7.7724   9.1569   9.2026   54.582   20.065   59.316   21.829 -4.733952 29.64995 
1 1 1   24   25   10 o   75.244   14.507   17.216   6.0659   15.552   8.3509   19.076   8.8258   71.516   20.531   78.972   20.502 -7.456001 29.01482 
1 1 1   24   25   11 o  158.510   7.7029   66.930   6.4279   82.230   10.665   58.201   8.0555  171.949   11.478  145.072   10.276 26.87752 15.40585 
1 1 1   24   25   12 o   55.326   14.178   8.0005   5.4963   6.2252   8.2906   9.3926   7.3415   52.901   20.436   57.751   19.658 -4.850883 28.35607 
1 1 1   24   25   13 o   84.517   15.320   20.866   6.7389   0.0000   0.0000   20.866   6.7389  ?   ?    84.517   15.320      ?      ? 
1 1 1   24   25   14 o  118.039   10.741   38.681   6.8514   0.0000   0.0000   38.681   6.8514  ?   ?   118.039   10.741      ?      ? 
1 1 1   24   25   15 o   48.407   18.355   5.4308   6.6069   0.0000   0.0000   5.4308   6.6069  ?   ?    48.407   18.355      ?      ? 
1 1 1   24   25   16 o   58.904   18.306   10.290   6.4418   0.0000   0.0000   10.290   6.4418  ?   ?    58.904   18.306      ?      ? 
1 1 1   24   25   17 f   59.906   21.163   10.190   8.5444   0.0000   0.0000   10.190   8.5444  ?   ?    59.906   21.163      ?      ? 
1 1 1   24   25   18 o   25.149   12.567 -18.0773   7.0593   0.0000   0.0000 -18.0773   7.0593  ?   ?    25.149   12.567      ?      ? 
1 1 1   24   25   19 o  163.896   8.5163   74.089   7.5424   0.0000   0.0000   74.089   7.5424  ?   ?   163.896   8.5163      ?      ? 
1 1 1   24   25   20 o   51.538   18.487   7.1926   6.5439   0.0000   0.0000   7.1926   6.5439  ?   ?    51.538   18.487      ?      ? 
1 1 1   24   25   21 o  213.676   9.6798  126.812   11.177   0.0000   0.0000  126.812   11.177  ?   ?   213.676   9.6798      ?      ? 
1 1 1   24   25   22 o   59.056   18.429   10.502   6.5211   0.0000   0.0000   10.502   6.5211  ?   ?    59.056   18.429      ?      ? 
1 1 1   24   25   23 o  148.371   12.419   62.360   9.9570   0.0000   0.0000   62.360   9.9570  ?   ?   148.371   12.419      ?      ? 
1 1 1   24   25   24 o   41.689   17.065   2.7135   6.1177   0.0000   0.0000   2.7135   6.1177  ?   ?    41.689   17.065      ?      ? 
1 1 1   24   25   25 o  129.163   9.9985   46.659   6.9784   0.0000   0.0000   46.659   6.9784  ?   ?   129.163   9.9985      ?      ? 
1 1 1   24   25   26 o  110.846   11.005   34.652   6.5919   0.0000   0.0000   34.652   6.5919  ?   ?   110.846   11.005      ?      ? 
1 1 1   24   25   27 o   47.909   17.832   6.1298   6.1739   0.0000   0.0000   6.1298   6.1739  ?   ?    47.909   17.832      ?      ? 
1 1 1   24   25   28 o   72.174   16.826   16.371   6.4411   0.0000   0.0000   16.371   6.4411  ?   ?    72.174   16.826      ?      ? 
1 1 1   24   25   29 o  107.518   11.888   33.118   6.9071   0.0000   0.0000   33.118   6.9071  ?   ?   107.518   11.888      ?      ? 
1 1 1   24   25   30 o  101.272   12.485   29.475   6.8324   0.0000   0.0000   29.475   6.8324  ?   ?   101.272   12.485      ?      ? 
1 1 1   24   25   31 o   48.133   20.045   4.1355   8.6386   0.0000   0.0000   4.1355   8.6386  ?   ?    48.133   20.045      ?      ? 
1 1 1   24   25   32 o   80.341   15.599   20.268   6.5279   0.0000   0.0000   20.268   6.5279  ?   ?    80.341   15.599      ?      ? 
1 1 1   24   25   33 o   46.477   17.380   6.4859   5.8783   0.0000   0.0000   6.4859   5.8783  ?   ?    46.477   17.380      ?      ? 
1 1 1   24   25   34 o  118.156   9.9196   39.861   6.3334   0.0000   0.0000   39.861   6.3334  ?   ?   118.156   9.9196      ?      ? 
1 1 1   24   25   35 o   92.862   12.177   25.547   6.1105   0.0000   0.0000   25.547   6.1105  ?   ?    92.862   12.177      ?      ? 
1 1 1   24   25   36 o   56.081   17.652   10.826   5.9688   0.0000   0.0000   10.826   5.9688  ?   ?    56.081   17.652      ?      ? 
1 1 1   24   26    0 o  132.007   10.318   49.268   7.3390   48.705   9.9858   49.928   10.823  131.402   14.064  132.613   15.103 -1.210999 20.63677 
1 1 1   24   26    1 o   88.283   14.316   24.214   6.7238   28.547   9.1197   19.054   9.9525   98.130   17.856   78.436   22.381 19.69408 28.63135 
1 1 1   24   26    2 o  158.477   9.2765   70.453   7.9430   72.026   11.302   68.918   11.165  160.254   13.052  156.700   13.186 3.554367 18.55303 
1 1 1   24   26    3 o   88.378   14.751   23.764   6.9365   20.588   9.4377   27.495   10.230   81.770   21.187   94.987   20.529 -13.21638 29.50125 
1 1 1   24   26    4 o   48.114   13.601  -0.3498   6.3779   10.689   8.7893 -12.6266   9.2693   61.604   21.487   34.625   16.682 26.97890 27.20219 
1 1 1   24   26    5 o   83.893   13.008   19.914   6.5204   5.4316   8.7472   38.025   9.7818   52.337   20.760  115.450   15.680 -63.11264 26.01562 
1 1 1   24   26    6 o  135.060   9.8563   51.513   7.1709   51.811   9.7872   51.168   10.537  135.723   13.345  134.397   14.509 1.325912 19.71264 
1 1 1   24   26    7 o   62.686   15.200   11.182   6.3808   14.535   8.7323   7.3408   9.3467   69.142   21.284   56.229   21.705 12.91253 30.39939 
1 1 1   24   26    8 o  142.085   13.503   56.944   10.367   0.0000   0.0000   56.944   10.367  ?   ?   142.085   13.503      ?      ? 
1 1 1   24   26    9 o   80.027   14.441   19.932   6.2244   20.980   8.0997   18.419   9.7273   83.271   18.483   76.784   22.193 6.487007 28.88135 
1 1 1   24   26   10 o   99.903   11.017   27.661   5.7787   32.793   9.6354   24.778   7.2216  106.440   16.752   93.366   14.314 13.07426 22.03470 
1 1 1   24   26   11 o  187.405   8.4132   96.948   8.4045  122.117   12.666   77.146   11.234  209.202   11.204  165.609   12.554 43.59294 16.82630 
1 1 1   24   26   12 o   42.933   18.143   1.5478   7.2379   0.0000   0.0000   1.5478   7.2379  ?   ?    42.933   18.143      ?      ? 
1 1 1   24   26   13 o   97.313   13.836   26.928   7.2755   0.0000   0.0000   26.928   7.2755  ?   ?    97.313   13.836      ?      ? 
1 1 1   24   26   14 o  205.668   8.3973  116.561   9.3324   0.0000   0.0000  116.561   9.3324  ?   ?   205.668   8.3973      ?      ? 
1 1 1   24   26   15 o  167.507   8.8049   77.525   7.9697   0.0000   0.0000   77.525   7.9697  ?   ?   167.507   8.8049      ?      ? 
1 1 1   24   26   16 o  139.928   9.9556   54.465   7.5277   0.0000   0.0000   54.465   7.5277  ?   ?   139.928   9.9556      ?      ? 
1 1 1   24   26   17 f   43.896   18.917   0.8996   8.1475   0.0000   0.0000   0.8996   8.1475  ?   ?    43.896   18.917      ?      ? 
1 1 1   24   26   19 o   70.318   18.196   15.241   6.9670   0.0000   0.0000   15.241   6.9670  ?   ?    70.318   18.196      ?      ? 
1 1 1   24   26   20 o   75.185   16.567   17.189   6.5493   0.0000   0.0000   17.189   6.5493  ?   ?    75.185   16.567      ?      ? 
1 1 1   24   26   21 o   35.822   16.114  -1.9727   6.5359   0.0000   0.0000  -1.9727   6.5359  ?   ?    35.822   16.114      ?      ? 
1 1 1   24   26   22 o  137.707   10.379   53.176   7.7233   0.0000   0.0000   53.176   7.7233  ?   ?   137.707   10.379      ?      ? 
1 1 1   24   26   23 o   69.005   17.948   14.898   6.7555   0.0000   0.0000   14.898   6.7555  ?   ?    69.005   17.948      ?      ? 
1 1 1   24   26   24 o  158.620   8.8028   70.180   7.5451   0.0000   0.0000   70.180   7.5451  ?   ?   158.620   8.8028      ?      ? 
1 1 1   24   26   25 o   85.343   15.648   22.313   6.9505   0.0000   0.0000   22.313   6.9505  ?   ?    85.343   15.648      ?      ? 
1 1 1   24   26   26 f  114.105   11.228   37.084   6.9233   0.0000   0.0000   37.084   6.9233  ?   ?   114.105   11.228      ?      ? 
1 1 1   24   26   27 o   75.208   16.818   17.580   6.6633   0.0000   0.0000   17.580   6.6633  ?   ?    75.208   16.818      ?      ? 
1 1 1   24   26   28 o   54.655   18.342   9.0963   6.3904   0.0000   0.0000   9.0963   6.3904  ?   ?    54.655   18.342      ?      ? 
1 1 1   24   26   29 o   47.357   18.115   5.9714   6.4709   0.0000   0.0000   5.9714   6.4709  ?   ?    47.357   18.115      ?      ? 
1 1 1   24   26   30 o  100.216   12.698   30.040   6.8763   0.0000   0.0000   30.040   6.8763  ?   ?   100.216   12.698      ?      ? 
1 1 1   24   26   31 o  124.283   10.340   44.471   6.9443   0.0000   0.0000   44.471   6.9443  ?   ?   124.283   10.340      ?      ? 
1 1 1   24   26   32 o   72.578   16.654   17.012   6.3929   0.0000   0.0000   17.012   6.3929  ?   ?    72.578   16.654      ?      ? 
1 1 1   24   26   33 o   49.879   17.816   8.0684   6.0716   0.0000   0.0000   8.0684   6.0716  ?   ?    49.879   17.816      ?      ? 
1 1 1   24   27    0 o   81.354   23.319   16.909   17.643  -7.9527   28.677   32.050   22.379   68.078   31.753   94.630   34.159 -26.55261 46.63795 
1 1 1   24   27    1 o  163.370   20.547  101.864   11.539   68.378   30.089  107.638   12.495  130.683   39.366  196.058   11.794 -65.37515 41.09443 
1 1 1   24   27    2 o  143.379   10.259   58.525   7.9413   56.154   10.954   61.150   11.530  140.359   14.442  146.399   14.574 -6.040680 20.51818 
1 1 1   24   27    3 o   75.765   15.914   18.091   7.0226   20.035   9.8971   16.119   9.9662   79.641   22.178   71.889   22.830 7.751976 31.82896 
1 1 1   24   27    4 o   70.424   15.713   15.287   6.9404   20.076   9.6070   10.059   10.037   79.840   21.700   61.007   22.731 18.83211 31.42622 
1 1 1   24   27    5 o   61.056   14.330   7.5033   6.7880   20.973   9.7445  -5.1943   9.4612   81.519   21.727   40.592   18.689 40.92695 28.65944 
1 1 1   24   27    6 o  146.867   13.640   61.275   10.825   0.0000   0.0000   61.275   10.825  ?   ?   146.867   13.640      ?      ? 
1 1 1   24   27    7 o   68.159   15.377   13.330   6.6599   7.3866   8.8615   21.044   10.096   55.055   21.166   81.262   22.311 -26.20726 30.75382 
1 1 1   24   27    8 o   79.423   15.203   20.043   6.7121   21.932   9.2988   17.988   9.6986   83.607   20.694   75.238   22.279 8.368820 30.40671 
1 1 1   24   27    9 o   70.078   15.324   15.449   6.4684   17.855   8.9073   12.764   9.4085   75.218   21.073   64.937   22.254 10.28168 30.64776 
1 1 1   24   27   10 o   56.105   14.594   8.4361   5.9597   4.9212   9.1202   11.055   7.8732   51.405   20.915   60.804   20.359 -9.399582 29.18823 
1 1 1   24   27   11 o  181.424   7.5639   89.482   7.1481  101.351   12.093   83.108   8.8620  189.773   11.793  173.076   9.4757 16.69687 15.12787 
1 1 1   24   27   12 o   46.452   18.280   4.4871   6.7328   0.0000   0.0000   4.4871   6.7328  ?   ?    46.452   18.280      ?      ? 
1 1 1   24   27   13 o  137.589   10.373   52.785   7.7125   0.0000   0.0000   52.785   7.7125  ?   ?   137.589   10.373      ?      ? 
1 1 1   24   27   14 o   99.098   13.718   28.048   7.3460   0.0000   0.0000   28.048   7.3460  ?   ?    99.098   13.718      ?      ? 
1 1 1   24   27   15 o  193.393   8.8055  103.548   9.2020   0.0000   0.0000  103.548   9.2020  ?   ?   193.393   8.8055      ?      ? 
1 1 1   24   27   16 o   76.012   18.310   17.970   7.4315   0.0000   0.0000   17.970   7.4315  ?   ?    76.012   18.310      ?      ? 
1 1 1   24   27   17 o  199.847   9.7499  111.494   10.529   0.0000   0.0000  111.494   10.529  ?   ?   199.847   9.7499      ?      ? 
1 1 1   24   27   18 o  120.807   13.944   42.127   9.1026   0.0000   0.0000   42.127   9.1026  ?   ?   120.807   13.944      ?      ? 
1 1 1   24   27   19 o   35.600   16.409  -4.0634   7.3207   0.0000   0.0000  -4.0634   7.3207  ?   ?    35.600   16.409      ?      ? 
1 1 1   24   27   20 o   42.739   17.863   2.5470   6.8958   0.0000   0.0000   2.5470   6.8958  ?   ?    42.739   17.863      ?      ? 
1 1 1   24   27   21 o  120.674   11.149   41.507   7.2699   0.0000   0.0000   41.507   7.2699  ?   ?   120.674   11.149      ?      ? 
1 1 1   24   27   22 o   59.216   19.055   11.172   6.9250   0.0000   0.0000   11.172   6.9250  ?   ?    59.216   19.055      ?      ? 
1 1 1   24   27   23 o   48.938   18.690   6.2207   6.8811   0.0000   0.0000   6.2207   6.8811  ?   ?    48.938   18.690      ?      ? 
1 1 1   24   27   24 o  106.262   12.398   32.425   7.1191   0.0000   0.0000   32.425   7.1191  ?   ?   106.262   12.398      ?      ? 
1 1 1   24   27   25 o  118.087   11.526   39.764   7.3550   0.0000   0.0000   39.764   7.3550  ?   ?   118.087   11.526      ?      ? 
1 1 1   24   27   26 f   64.577   18.346   13.598   6.7027   0.0000   0.0000   13.598   6.7027  ?   ?    64.577   18.346      ?      ? 
1 1 1   24   27   27 o   61.990   17.956   13.039   6.3619   0.0000   0.0000   13.039   6.3619  ?   ?    61.990   17.956      ?      ? 
1 1 1   24   27   28 o   38.112   16.601   1.1198   6.4103   0.0000   0.0000   1.1198   6.4103  ?   ?    38.112   16.601      ?      ? 
1 1 1   24   27   29 o  119.920   11.057   41.591   7.1653   0.0000   0.0000   41.591   7.1653  ?   ?   119.920   11.057      ?      ? 
1 1 1   24   27   30 o   62.977   18.135   13.526   6.5064   0.0000   0.0000   13.526   6.5064  ?   ?    62.977   18.135      ?      ? 
1 1 1   24   27   31 o   26.953   13.180  -9.5489   6.3850   0.0000   0.0000  -9.5489   6.3850  ?   ?    26.953   13.180      ?      ? 
1 1 1   24   28    0 o  110.347   18.076   45.701   9.3551   49.814   10.429   28.761   21.165  131.615   14.664   89.078   33.044 42.53647 36.15205 
1 1 1   24   28    1 o   66.291   21.545  -3.3902   17.300   8.4662   27.291 -11.3559   22.369   74.328   33.218   58.254   27.448 16.07395 43.09100 
1 1 1   24   28    2 f   62.185   20.220  -4.3119   15.844 -17.1216   25.390   3.8581   20.277   59.191   28.276   65.179   28.911 -5.988461 40.44011 
1 1 1   24   28    3 o   67.510   21.662  -0.3116   16.920   11.430   26.281  -8.6239   22.113   75.620   33.256   59.401   27.765 16.21878 43.32311 
1 1 1   24   28    4 o   78.172   18.847   21.820   10.405  -9.5023   26.471   27.544   11.316   63.873   30.021   92.471   22.792 -28.59808 37.69325 
1 1 1   24   28    5 o   51.200   15.041   2.9505   7.0203  -1.6941   9.5313   8.4580   10.379   43.977   19.644   58.424   22.782 -14.44707 30.08204 
1 1 1   24   28    6 o   50.857   14.933   3.6866   6.6843   1.7477   8.7420   6.4156   10.371   46.286   19.763   55.429   22.393 -9.142841 29.86648 
1 1 1   24   28    7 o   57.580   15.052   8.0647   6.7230   14.401   9.1794   0.7334   9.8740   67.862   21.949   47.297   20.602 20.56443 30.10314 
1 1 1   24   28    8 o   56.289   15.439   7.6603   6.6951   5.8005   8.9661   10.004   10.065   52.304   20.929   60.275   22.703 -7.970772 30.87812 
1 1 1   24   28    9 o   69.019   14.492   14.606   5.9135   19.761   8.8295   10.413   7.9632   78.836   20.525   59.202   20.463 19.63454 28.98317 
1 1 1   24   28   10 o   69.591   14.634   15.449   5.9262   14.198   8.5960   16.581   8.1811   66.953   21.197   72.228   20.181 -5.274818 29.26753 
1 1 1   24   28   11 o   96.625   15.324   27.280   8.0012   0.0000   0.0000   27.280   8.0012  ?   ?    96.625   15.324      ?      ? 
1 1 1   24   28   12 o   61.773   19.671   11.857   7.3950   0.0000   0.0000   11.857   7.3950  ?   ?    61.773   19.671      ?      ? 
1 1 1   24   28   13 o   43.380   18.214   2.2882   7.2196   0.0000   0.0000   2.2882   7.2196  ?   ?    43.380   18.214      ?      ? 
1 1 1   24   28   14 o   75.412   17.893   17.712   7.1817   0.0000   0.0000   17.712   7.1817  ?   ?    75.412   17.893      ?      ? 
1 1 1   24   28   15 o  139.471   10.439   54.765   7.8676   0.0000   0.0000   54.765   7.8676  ?   ?   139.471   10.439      ?      ? 
1 1 1   24   28   16 o   84.801   17.236   22.422   7.6290   0.0000   0.0000   22.422   7.6290  ?   ?    84.801   17.236      ?      ? 
1 1 1   24   28   17 o   53.410   19.558   8.3802   7.3746   0.0000   0.0000   8.3802   7.3746  ?   ?    53.410   19.558      ?      ? 
1 1 1   24   28   18 o  110.322   13.091   35.378   7.8043   0.0000   0.0000   35.378   7.8043  ?   ?   110.322   13.091      ?      ? 
1 1 1   24   28   19 o   27.374   13.768 -25.0234   9.1614   0.0000   0.0000 -25.0234   9.1614  ?   ?    27.374   13.768      ?      ? 
1 1 1   24   28   20 o  130.293   11.892   48.530   8.3724   0.0000   0.0000   48.530   8.3724  ?   ?   130.293   11.892      ?      ? 
1 1 1   24   28   21 o  150.862   9.9857   64.000   8.1404   0.0000   0.0000   64.000   8.1404  ?   ?   150.862   9.9857      ?      ? 
1 1 1   24   28   22 o  105.544   13.752   32.652   7.8433   0.0000   0.0000   32.652   7.8433  ?   ?   105.544   13.752      ?      ? 
1 1 1   24   28   23 o   45.157   18.369   4.6436   7.0326   0.0000   0.0000   4.6436   7.0326  ?   ?    45.157   18.369      ?      ? 
1 1 1   24   28   24 o   46.495   18.298   6.0948   6.7468   0.0000   0.0000   6.0948   6.7468  ?   ?    46.495   18.298      ?      ? 
1 1 1   24   28   25 o   30.583   14.504  -5.6398   6.4396   0.0000   0.0000  -5.6398   6.4396  ?   ?    30.583   14.504      ?      ? 
1 1 1   24   28   26 o  118.487   11.026   40.597   7.0595   0.0000   0.0000   40.597   7.0595  ?   ?   118.487   11.026      ?      ? 
1 1 1   24   28   27 o   54.673   18.903   10.079   6.7958   0.0000   0.0000   10.079   6.7958  ?   ?    54.673   18.903      ?      ? 
1 1 1   24   28   28 o   44.283   17.981   5.1222   6.7237   0.0000   0.0000   5.1222   6.7237  ?   ?    44.283   17.981      ?      ? 
1 1 1   24   29    0 o  126.860   11.738   47.804   7.9679   48.876   10.659   46.446   11.996  129.346   15.250  124.374   17.849 4.971863 23.47654 
1 1 1   24   29    1 o   73.196   16.260   17.749   7.4427   22.279   10.023   12.179   11.113   82.493   22.058   63.898   23.896 18.59544 32.52032 
1 1 1   24   29    2 o  137.105   10.944   54.799   8.0888   50.883   11.000   59.410   11.936  131.821   15.443  142.389   15.513 -10.56874 21.88872 
1 1 1   24   29    3 o   34.674   11.958 -14.7927   6.9631 -16.0881   8.9131 -12.7640   11.154   31.040   15.259   38.308   18.417 -7.268324 23.91677 
1 1 1   24   29    4 o   96.366   20.177   24.065   9.5400   16.383   10.585   57.297   22.016   70.805   23.606  121.927   32.730 -51.12229 40.35463 
1 1 1   24   29    5 f   93.067   24.105   34.310   17.678   12.486   26.455   51.914   23.761   74.062   32.929  112.071   35.211 -38.00945 48.20958 
1 1 1   24   29    6 o  113.601   25.016   51.713   17.491   74.527   26.995   35.203   22.964  134.401   36.311   92.801   34.421 41.59989 50.03281 
1 1 1   24   29    7 o   86.274   23.720   29.327   16.160   22.838   24.258   34.505   21.668   80.291   33.527   92.256   33.564 -11.96483 47.44044 
1 1 1   24   29    8 o   98.219   21.093   31.229   10.861   0.0000   0.0000   31.229   10.861  ?   ?    98.219   21.093      ?      ? 
1 1 1   24   29    9 o   46.624   13.798   2.6827   6.1485  -4.0360   9.8180   7.0178   7.8865   41.428   19.061   51.821   19.956 -10.39223 27.59625 
1 1 1   24   29   10 o   42.440   12.990   0.2215   5.6632   4.7050   8.0794  -4.1089   7.9403   48.046   19.633   36.835   17.017 11.21103 25.98098 
1 1 1   24   29   11 o   42.071   18.096   1.5423   7.4266   0.0000   0.0000   1.5423   7.4266  ?   ?    42.071   18.096      ?      ? 
1 1 1   24   29   12 o  109.151   13.267   34.734   7.8249   0.0000   0.0000   34.734   7.8249  ?   ?   109.151   13.267      ?      ? 
1 1 1   24   29   13 o   75.116   18.832   18.191   7.6296   0.0000   0.0000   18.191   7.6296  ?   ?    75.116   18.832      ?      ? 
1 1 1   24   29   14 o   62.670   20.720   12.662   8.1611   0.0000   0.0000   12.662   8.1611  ?   ?    62.670   20.720      ?      ? 
1 1 1   24   29   15 o   41.129   18.215  -0.3970   8.0177   0.0000   0.0000  -0.3970   8.0177  ?   ?    41.129   18.215      ?      ? 
1 1 1   24   29   16 o  162.203   9.9378   73.939   8.7104   0.0000   0.0000   73.939   8.7104  ?   ?   162.203   9.9378      ?      ? 
1 1 1   24   29   17 o   31.670   15.210  -9.0089   7.5629   0.0000   0.0000  -9.0089   7.5629  ?   ?    31.670   15.210      ?      ? 
1 1 1   24   29   18 o   31.684   15.141  -7.7732   7.2927   0.0000   0.0000  -7.7732   7.2927  ?   ?    31.684   15.141      ?      ? 
1 1 1   24   29   19 o   97.537   17.456   30.744   8.8625   0.0000   0.0000   30.744   8.8625  ?   ?    97.537   17.456      ?      ? 
1 1 1   24   29   20 f   57.065   21.751   11.418   9.3083   0.0000   0.0000   11.418   9.3083  ?   ?    57.065   21.751      ?      ? 
1 1 1   24   29   21 o   30.239   14.578  -8.2089   7.1062   0.0000   0.0000  -8.2089   7.1062  ?   ?    30.239   14.578      ?      ? 
1 1 1   24   29   22 o   32.306   15.227  -5.2791   6.8963   0.0000   0.0000  -5.2791   6.8963  ?   ?    32.306   15.227      ?      ? 
1 1 1   24   29   23 o   69.758   18.509   16.454   7.0923   0.0000   0.0000   16.454   7.0923  ?   ?    69.758   18.509      ?      ? 
1 1 1   24   29   24 f   48.645   18.463   7.3633   6.6888   0.0000   0.0000   7.3633   6.6888  ?   ?    48.645   18.463      ?      ? 
1 1 1   24   29   25 o   96.481   13.354   28.502   6.9619   0.0000   0.0000   28.502   6.9619  ?   ?    96.481   13.354      ?      ? 
1 1 1   24   30    0 o  106.700   13.872   36.009   7.6799   34.275   9.8994   38.630   12.171  105.715   17.329  107.685   21.667 -1.970322 27.74455 
1 1 1   24   30    1 o   54.625   15.691   7.3992   7.2991   9.4527   9.4256   4.3230   11.536   56.898   21.840   52.353   22.536 4.545135 31.38223 
1 1 1   24   30    2 o   54.403   15.210   6.0900   7.4664   14.208   9.8072  -5.1029   11.516   65.245   22.700   43.561   20.252 21.68353 30.42097 
1 1 1   24   30    3 o  136.389   11.389   56.374   8.1880   57.970   10.627   54.044   12.844  140.501   13.998  132.277   17.969 8.223495 22.77799 
1 1 1   24   30    4 o   98.216   14.814   32.066   7.5728   34.117   9.6832   28.836   12.151  105.948   16.914   90.483   24.327 15.46432 29.62858 
1 1 1   24   30    5 o   62.526   16.508   12.000   7.3384   10.394   9.3646   14.554   11.813   58.690   21.939   66.362   24.673 -7.671558 33.01630 
1 1 1   24   30    6 o   38.859   12.986  -7.5307   7.0659  -5.0617   8.9069 -11.7227   11.606   38.338   17.819   39.381   18.894 -1.043564 25.97124 
1 1 1   24   30    7 o   48.491   14.142  -1.9263   6.6551   13.516   10.669 -11.7604   8.5144   64.675   23.549   32.306   15.667 32.36848 28.28473 
1 1 1   24   30    8 o   38.851   13.008  -8.5112   7.2611 -10.0090   10.061  -6.8827   10.490   37.246   17.795   40.456   18.978 -3.210423 26.01552 
1 1 1   24   30    9 o  117.150   18.092   42.027   11.453   0.0000   0.0000   42.027   11.453  ?   ?   117.150   18.092      ?      ? 
1 1 1   24   30   10 o  104.758   21.145   35.766   11.557   0.0000   0.0000   35.766   11.557  ?   ?   104.758   21.145      ?      ? 
1 1 1   24   30   11 o   38.324   18.601 -15.2367   12.071   0.0000   0.0000 -15.2367   12.071  ?   ?    38.324   18.601      ?      ? 
1 1 1   24   30   12 o   45.614   21.016  -3.5384   11.993   0.0000   0.0000  -3.5384   11.993  ?   ?    45.614   21.016      ?      ? 
1 1 1   24   30   13 o   48.889   19.988   5.4981   8.3809   0.0000   0.0000   5.4981   8.3809  ?   ?    48.889   19.988      ?      ? 
1 1 1   24   30   14 o   63.319   20.729   14.160   8.1760   0.0000   0.0000   14.160   8.1760  ?   ?    63.319   20.729      ?      ? 
1 1 1   24   30   15 o  160.535   11.005   75.327   9.5467   0.0000   0.0000   75.327   9.5467  ?   ?   160.535   11.005      ?      ? 
1 1 1   24   30   16 o   40.580   17.735   1.5691   7.3710   0.0000   0.0000   1.5691   7.3710  ?   ?    40.580   17.735      ?      ? 
1 1 1   24   30   17 o   53.940   19.802   9.3090   7.5663   0.0000   0.0000   9.3090   7.5663  ?   ?    53.940   19.802      ?      ? 
1 1 1   24   30   18 o   66.718   19.730   15.289   7.6105   0.0000   0.0000   15.289   7.6105  ?   ?    66.718   19.730      ?      ? 
1 1 1   24   30   19 o   33.318   15.700  -5.1178   7.3236   0.0000   0.0000  -5.1178   7.3236  ?   ?    33.318   15.700      ?      ? 
1 1 1   24   30   20 o   40.420   18.534  -1.2178   9.1741   0.0000   0.0000  -1.2178   9.1741  ?   ?    40.420   18.534      ?      ? 
1 1 1   24   30   21 o   32.231   15.409  -6.5691   7.5698   0.0000   0.0000  -6.5691   7.5698  ?   ?    32.231   15.409      ?      ? 
1 1 1   24   31    0 o   57.421   16.771   7.4063   8.9169   13.405   11.679  -0.9786   13.807   64.255   24.395   50.588   23.020 13.66690 33.54153 
1 1 1   24   31    1 o   68.502   17.412   13.288   8.2220   6.1645   10.137   26.982   14.055   52.694   21.810   84.310   27.148 -31.61642 34.82370 
1 1 1   24   31    2 o   57.773   16.856   8.7708   8.3573   9.1715   10.477   8.0698   13.857   56.991   22.684   58.556   24.939 -1.565384 33.71195 
1 1 1   24   31    3 o   65.858   17.364   15.203   8.3166   17.072   10.180   11.453   14.421   69.583   23.148   62.133   25.889 7.449451 34.72829 
1 1 1   24   31    4 o   45.949   14.921  -1.6018   7.9949  -2.1209   9.7974  -0.5673   13.832   42.107   19.250   49.791   22.803 -7.684418 29.84227 
1 1 1   24   31    5 o   53.159   16.373   5.4767   8.4711   3.8042   10.535   8.5360   14.248   48.896   21.290   57.422   24.880 -8.526520 32.74601 
1 1 1   24   31    6 o   58.595   17.043   11.080   8.4146   9.6748   10.520   13.574   14.019   55.547   22.514   61.644   25.592 -6.096516 34.08545 
1 1 1   24   31    7 o   60.292   16.440   13.271   7.5515   14.295   11.208   12.421   10.219   61.679   23.779   58.905   22.707 2.774605 32.87950 
1 1 1   24   31    8 o   41.876   13.345  -1.6348   6.6278   5.6937   9.5929  -8.3282   9.1678   48.880   20.782   34.872   16.747 14.00797 26.68986 
1 1 1   24   31    9 o   51.557   21.245   7.6019   9.5601   0.0000   0.0000   7.6019   9.5601  ?   ?    51.557   21.245      ?      ? 
1 1 1   24   31   10 o   61.060   21.159   13.126   8.5171   0.0000   0.0000   13.126   8.5171  ?   ?    61.060   21.159      ?      ? 
1 1 1   24   31   11 o   42.039   18.611   0.8197   8.3617   0.0000   0.0000   0.8197   8.3617  ?   ?    42.039   18.611      ?      ? 
1 1 1   24   31   12 o   95.531   17.881   29.686   8.8911   0.0000   0.0000   29.686   8.8911  ?   ?    95.531   17.881      ?      ? 
1 1 1   24   32    0 o   59.630   16.535   11.497   7.6745   8.8914   9.9845   15.258   11.998   54.740   22.021   64.521   24.670 -9.780891 33.06902 
1 1 1   24   32    1 o   61.482   17.099   13.169   8.3566   14.401   11.352   11.712   12.347   63.231   24.040   59.733   24.323 3.498669 34.19836 
1 1 1   24   32    2 o   48.568   14.488  -1.4744   8.0176   14.153   10.665 -21.7812   12.158   62.780   23.424   34.355   17.057 28.42505 28.97627 
1 1 1   24   32    3 o   40.621   13.439  -7.4938   7.9107   2.0610   10.270 -21.4335   12.405   46.369   20.571   34.874   17.300 11.49513 26.87881 
1 1 1   24   32    4 o   60.596   15.922   12.386   7.9345   20.482   10.339   0.7842   12.376   73.412   23.247   47.781   21.763 25.63129 31.84391 
1 1 1   24   32    5 o   46.585   14.660   2.2415   7.5576   5.6779   9.4663  -3.7990   12.551   48.987   20.727   44.183   20.736 4.803493 29.31905 
1 1 1   24   32    6 o  100.569   15.670   36.375   8.1366   33.288   10.416   41.208   13.033   97.050   20.503  104.088   23.703 -7.038155 31.34032 
1 1 1   24   32    7 o   55.841   15.370   5.7438   7.9256  -8.6126   10.735   22.948   11.751   37.568   18.062   74.114   24.873 -36.54650 30.73936 
1 1 1   24   32    8 o   60.565   23.895   14.411   11.531   0.0000   0.0000   14.411   11.531  ?   ?    60.565   23.895      ?      ? 
1 1 1   24   32    9 o   72.314   22.603   20.613   9.8053   0.0000   0.0000   20.613   9.8053  ?   ?    72.314   22.603      ?      ? 
1 1 1   25    0    0 o  503.796   9.4375  687.838   36.277  687.838   36.277  687.838   36.277  503.796   13.347  503.796   13.347 0.000000 0.000000 
1 1 1   25    0    2 o  351.086   5.2579  333.580   14.092  333.580   14.092  333.580   14.092  351.086   7.4358  351.086   7.4358 0.000000 0.000000 
1 1 1   25    0    3 o  527.964   6.8563  754.282   27.642  754.282   27.642  754.282   27.642  527.964   9.6962  527.964   9.6962 0.000000 0.000000 
1 1 1   25    0    4 o  879.839   10.701  2096.15   71.899  2096.15   71.899  2096.15   71.899  879.839   15.133  879.839   15.133 0.000000 0.000000 
1 1 1   25    0    5 o  227.275   4.6854  139.952   8.1221  139.952   8.1221  139.952   8.1221  227.275   6.6262  227.275   6.6262 0.000000 0.000000 
1 1 1   25    0    6 o  178.962   4.8704   86.941   6.6384   86.941   6.6384   86.941   6.6384  178.962   6.8878  178.962   6.8878 0.000000 0.000000 
1 1 1   25    0    7 o  449.766   6.0832  547.398   20.891  547.398   20.891  547.398   20.891  449.766   8.6030  449.766   8.6030 0.000000 0.000000 
1 1 1   25    0    8 o  300.591   4.9449  244.591   11.345  244.591   11.345  244.591   11.345  300.591   6.9932  300.591   6.9932 0.000000 0.000000 
1 1 1   25    0   14 o  184.489   5.0857   92.411   7.1453   92.411   7.1453   92.411   7.1453  184.489   7.1923  184.489   7.1923 0.000000 0.000000 
1 1 1   25    0   18 o  274.612   5.0797  204.261   10.644  204.261   10.644  204.261   10.644  274.612   7.1838  274.612   7.1838 0.000000 0.000000 
1 1 1   25    0   19 o  256.060   4.9835  177.631   9.7349  177.631   9.7349  177.631   9.7349  256.060   7.0477  256.060   7.0477 0.000000 0.000000 
1 1 1   25    0   25 o   55.749   12.273   10.542   4.5824   10.542   4.5824   10.542   4.5824   55.749   17.356   55.749   17.356 0.000000 0.000000 
1 1 1   25    0   26 o  135.439   5.2797   50.061   5.4266   50.061   5.4266   50.061   5.4266  135.439   7.4667  135.439   7.4667 0.000000 0.000000 
1 1 1   25    0   28 o   70.064   10.097   14.846   4.7824   14.846   4.7824   14.846   4.7824   70.064   14.279   70.064   14.279 0.000000 0.000000 
1 1 1   25    0   29 o  222.453   4.7016  134.201   7.9763  134.201   7.9763  134.201   7.9763  222.453   6.6490  222.453   6.6490 0.000000 0.000000 
1 1 1   25    0   30 o   55.621   13.227   10.838   5.0228   10.838   5.0228   10.838   5.0228   55.621   18.706   55.621   18.706 0.000000 0.000000 
1 1 1   25    0   31 o  169.600   5.1224   78.269   6.6115   78.269   6.6115   78.269   6.6115  169.600   7.2442  169.600   7.2442 0.000000 0.000000 
1 1 1   25    0   32 o  228.794   4.8076  142.016   8.3889  142.016   8.3889  142.016   8.3889  228.794   6.7990  228.794   6.7990 0.000000 0.000000 
1 1 1   25    0   33 o   69.557   11.090   14.985   5.1431   14.985   5.1431   14.985   5.1431   69.557   15.684   69.557   15.684 0.000000 0.000000 
1 1 1   25    0   34 o  106.817   7.1892   31.783   5.7463   31.783   5.7463   31.783   5.7463  106.817   10.167  106.817   10.167 0.000000 0.000000 
1 1 1   25    0   36 f  171.841   5.2578   80.446   6.8751   80.446   6.8751   80.446   6.8751  171.841   7.4357  171.841   7.4357 0.000000 0.000000 
1 1 1   25    0   37 o  179.296   5.2565   87.558   7.1741   87.558   7.1741   87.558   7.1741  179.296   7.4338  179.296   7.4338 0.000000 0.000000 
1 1 1   25    0   38 o   34.055   13.302   4.4452   5.0499   4.4452   5.0499   4.4452   5.0499   34.055   18.812   34.055   18.812 0.000000 0.000000 
1 1 1   25    0   39 o  136.981   5.9575   51.512   6.1822   51.512   6.1822   51.512   6.1822  136.981   8.4252  136.981   8.4252 0.000000 0.000000 
1 1 1   25    0   40 o  232.628   4.3502  146.923   7.7212  146.923   7.7212  146.923   7.7212  232.628   6.1521  232.628   6.1521 0.000000 0.000000 
1 1 1   25    0   41 o  216.936   4.3986  127.869   7.2785  127.869   7.2785  127.869   7.2785  216.936   6.2205  216.936   6.2205 0.000000 0.000000 
1 1 1   25    0   42 o  105.201   5.6283   30.583   4.4653   30.583   4.4653   30.583   4.4653  105.201   7.9597  105.201   7.9597 0.000000 0.000000 
1 1 1   25    0   43 o   60.411   9.9870   11.481   4.0077   11.481   4.0077   11.481   4.0077   60.411   14.124   60.411   14.124 0.000000 0.000000 
1 1 1   25    0   44 o   26.828   11.167   2.3551   3.8927   2.3551   3.8927   2.3551   3.8927   26.828   15.792   26.828   15.792 0.000000 0.000000 
1 1 1   25    0   45 o   15.190   7.6660  -5.8036   3.9843  -5.8036   3.9843  -5.8036   3.9843   15.190   10.841   15.190   10.841 0.000000 0.000000 
1 1 1   25    0   46 o  400.593   5.6249  437.609   17.204  437.609   17.204  437.609   17.204  400.593   7.9549  400.593   7.9549 0.000000 0.000000 
1 1 1   25    0   47 o   65.568   10.054   13.379   4.4167   13.379   4.4167   13.379   4.4167   65.568   14.219   65.568   14.219 0.000000 0.000000 
1 1 1   25    0   48 o   91.367   6.9174   23.625   4.6901   23.625   4.6901   23.625   4.6901   91.367   9.7826   91.367   9.7826 0.000000 0.000000 
1 1 1   25    0   49 o  137.103   5.2685   51.664   5.4827   51.664   5.4827   51.664   5.4827  137.103   7.4507  137.103   7.4507 0.000000 0.000000 
1 1 1   25    0   50 o  151.987   5.1960   63.434   6.0028   63.434   6.0028   63.434   6.0028  151.987   7.3482  151.987   7.3482 0.000000 0.000000 
1 1 1   25    0   51 o  102.656   10.927   31.486   7.9987   31.486   7.9987   31.486   7.9987  102.656   15.453  102.656   15.453 0.000000 0.000000 
1 1 1   25    0   54 o   31.581   14.355   1.5764   7.9241   1.5764   7.9241   1.5764   7.9241   31.581   20.301   31.581   20.301 0.000000 0.000000 
1 1 1   25    0   55 o  108.765   7.4260   33.906   6.0401   33.906   6.0401   33.906   6.0401  108.765   10.502  108.765   10.502 0.000000 0.000000 
1 1 1   25    0   56 o  122.961   6.8671   42.822   6.3601   42.822   6.3601   42.822   6.3601  122.961   9.7116  122.961   9.7116 0.000000 0.000000 
1 1 1   25    1    0 o  813.789   14.101  1792.94   61.901  1734.69   84.578  1860.14   90.839  799.648   19.574  827.930   20.304 -28.28253 28.20283 
1 1 1   25    1    1 o   81.216   10.760   19.081   4.3670   21.189   5.4794   15.412   7.2299   88.495   11.459   73.937   18.215 14.55733 21.51922 
1 1 1   25    1    2 o  748.801   9.2292  1517.74   37.343  1511.71   52.661  1523.84   52.964  747.307   13.041  750.296   13.063 -2.989319 18.45837 
1 1 1   25    1    3 o  355.413   5.2703  341.310   10.117  347.480   14.582  335.583   14.048  358.506   7.5273  352.320   7.3787 6.186157 10.54066 
1 1 1   25    1    4 o  497.767   6.5411  669.968   17.592  661.271   24.653  678.992   25.111  494.477   9.2265  501.056   9.2745 -6.579376 13.08226 
1 1 1   25    1    5 o  230.440   6.6716  143.550   8.3076  143.550   8.3076   0.0000   0.0000  230.440   6.6716  ?   ?       ?      ? 
1 1 1   25    1    6 o  282.342   4.8189  215.473   7.3491  216.527   10.555  214.482   10.239  283.010   6.9017  281.675   6.7270 1.335114 9.637751 
1 1 1   25    1    7 o  566.375   7.2463  867.652   22.175  857.348   31.088  878.324   31.639  562.954   10.220  569.795   10.276 -6.841125 14.49260 
1 1 1   25    1    8 o  581.295   7.4073  913.258   23.252  890.465   32.173  938.179   33.642  573.717   10.378  588.873   10.572 -15.15552 14.81456 
1 1 1   25    1    9 o  799.257   9.7994  1729.64   42.318  1713.12   59.321  1746.75   60.388  795.380   13.802  803.134   13.915 -7.753662 19.59885 
1 1 1   25    1   10 o  826.809   10.114  1851.39   45.187  1839.05   63.528  1864.03   64.286  824.026   14.267  829.592   14.340 -5.566772 20.22862 
1 1 1   25    1   11 o  581.395   7.4383  913.220   23.346  886.576   32.161  942.897   33.943  572.453   10.397  590.337   10.640 -17.88440 14.87659 
1 1 1   25    1   12 o  837.408   14.477  1899.86   65.507   0.0000   0.0000  1899.86   65.507  ?   ?   837.408   14.477      ?      ? 
1 1 1   25    1   13 o  731.227   12.818  1447.89   50.649   0.0000   0.0000  1447.89   50.649  ?   ?   731.227   12.818      ?      ? 
1 1 1   25    1   14 o  446.282   6.1144  538.680   14.744  537.749   20.949  539.594   20.756  445.898   8.6944  446.667   8.5994 -0.7696838 12.22876 
1 1 1   25    1   18 f  495.807   6.6220  665.124   17.740  672.065   25.316  658.428   24.865  498.345   9.4011  493.269   9.3286 5.075958 13.24404 
1 1 1   25    1   22 o  293.544   4.6852  233.225   7.4219  236.304   10.273  229.864   10.734  295.581   6.4321  291.507   6.8143 4.074280 9.370483 
1 1 1   25    1   23 o  343.729   5.0577  319.792   9.3903  327.357   13.205  312.053   13.356  347.852   7.0251  339.607   7.2780 8.244629 10.11544 
1 1 1   25    1   24 o  268.679   6.2557  195.259   9.0823  195.259   9.0823   0.0000   0.0000  268.679   6.2557  ?   ?       ?      ? 
1 1 1   25    1   25 o  421.024   8.0245  479.892   18.256  479.892   18.256   0.0000   0.0000  421.024   8.0245  ?   ?       ?      ? 
1 1 1   25    1   27 o  259.870   4.6423  183.027   6.5061  196.110   9.1961  169.915   9.2061  269.197   6.3218  250.542   6.7999 18.65421 9.284668 
1 1 1   25    1   28 o  341.421   5.1185  315.672   9.4318  315.591   13.023  315.761   13.678  341.395   7.0593  341.448   7.4135 -0.5346680E-01 10.23691 
1 1 1   25    1   29 o   68.380   9.7364   12.906   3.4019   11.858   4.3242   14.608   5.5109   64.882   12.788   71.877   14.685 -6.995354 19.47273 
1 1 1   25    1   30 o  254.444   4.7552  175.644   6.5115  178.740   8.8638  172.015   9.5971  256.915   6.3848  251.973   7.0485 4.942047 9.510350 
1 1 1   25    1   31 o  122.874   6.0045   40.300   3.9215   37.478   5.0381   44.638   6.2464  117.543   7.9320  128.205   9.0165 -10.66207 12.00892 
1 1 1   25    1   32 f  115.908   7.9249   36.445   4.9636   36.445   4.9636   0.0000   0.0000  115.908   7.9249  ?   ?       ?      ? 
1 1 1   25    1   34 o  179.211   5.1182   87.063   4.9048   86.548   6.4766   87.755   7.5106  178.646   6.7091  179.777   7.7313 -1.131180 10.23646 
1 1 1   25    1   36 o   67.509   10.714   12.917   3.7188   12.485   4.6961   13.645   6.0897   66.216   13.580   68.803   16.576 -2.587059 21.42864 
1 1 1   25    1   37 o   53.532   11.515   7.9756   3.5582   7.9467   4.5079   8.0234   5.7954   52.905   15.051   54.159   17.432 -1.254601 23.03061 
1 1 1   25    1   38 o   70.971   10.201   14.573   3.7289   15.698   4.7555   12.777   6.0083   75.588   11.643   66.353   16.754 9.234726 20.40228 
1 1 1   25    1   40 o  112.640   5.1577   34.548   3.1385   34.550   4.3899   34.547   4.4889  112.652   7.2115  112.628   7.3757 0.2356720E-01 10.31540 
1 1 1   25    1   41 o   45.204   9.4373   5.5680   2.6893   8.7308   3.7264   2.1303   3.8850   55.048   12.774   35.360   13.895 19.68793 18.87467 
1 1 1   25    1   42 o  239.956   4.4137  156.643   5.7192  155.465   7.9310  157.918   8.2550  239.044   6.1399  240.867   6.3423 -1.822754 8.827469 
1 1 1   25    1   43 o   77.705   7.2304   17.034   2.9588   20.400   4.0720   13.268   4.3067   86.240   8.7380   69.170   11.522 17.06982 14.46083 
1 1 1   25    1   44 o  134.076   4.9161   48.891   3.5532   46.301   4.8257   51.959   5.2513  130.231   6.8574  137.920   7.0462 -7.688370 9.832182 
1 1 1   25    1   45 f   93.057   6.4264   24.011   3.2077   26.262   4.4328   21.537   4.6475   97.798   8.3880   88.317   9.7383 9.480690 12.85279 
1 1 1   25    1   46 o  129.657   5.2126   46.012   3.6487   43.346   5.0816   48.850   5.2424  125.757   7.4779  133.557   7.2639 -7.799759 10.42514 
1 1 1   25    1   47 o  185.374   4.5747   93.934   4.5824   93.397   6.4590   94.479   6.5023  184.841   6.4667  185.908   6.4726 -1.066483 9.149446 
1 1 1   25    1   48 o   49.641   10.388   7.1168   3.1025   9.7549   4.3912   4.4874   4.3839   57.296   14.244   41.987   15.124 15.30858 20.77588 
1 1 1   25    1   49 o  178.289   5.6817   86.290   5.2580   92.297   8.8760   83.043   6.5264  182.554   8.9978  174.024   6.9403 8.530167 11.36348 
1 1 1   25    1   50 o  116.889   8.5478   39.106   5.2447   50.698   7.5650   28.378   7.2774  134.448   10.413   99.330   13.558 35.11732 17.09553 
1 1 1   25    1   51 o   50.435   12.252   5.5069   4.7982  -2.5946   6.8262   13.419   6.7459   35.696   16.221   65.174   18.367 -29.47754 24.50469 
1 1 1   25    1   52 o   51.678   11.758   8.2421   4.1777   11.970   5.2247   1.6318   6.9570   62.156   15.585   41.200   17.612 20.95612 23.51690 
1 1 1   25    1   53 o  193.356   10.414  105.473   10.881   0.0000   0.0000  105.473   10.881  ?   ?   193.356   10.414      ?      ? 
1 1 1   25    1   54 o  134.092   9.0933   52.906   6.5178   43.986   9.0905   62.342   9.3500  121.588   13.836  146.597   11.803 -25.00955 18.18654 
1 1 1   25    1   55 o  151.314   8.5750   67.526   7.0031   63.851   9.8788   71.239   9.9292  146.832   12.451  155.797   11.794 -8.964828 17.14997 
1 1 1   25    1   56 o   41.643   12.448   2.7980   4.5782   4.8649   7.9234   1.7620   5.6094   46.055   19.190   37.230   15.862 8.824692 24.89673 
1 1 1   25    2    0 o  828.734   14.333  1863.59   64.177  1845.72   89.839  1882.21   91.710  824.699   20.159  832.770   20.380 -8.071167 28.66619 
1 1 1   25    2    1 o  316.647   6.9679  270.809   11.913  281.306   17.262  261.261   16.462  322.497   9.9057  310.798   9.8023 11.69891 13.93588 
1 1 1   25    2    2 o  431.494   8.2621  503.784   19.263  507.432   27.413  500.225   27.075  433.036   11.715  429.953   11.653 3.082764 16.52416 
1 1 1   25    2    3 o  456.914   6.1596  564.379   15.206  553.774   21.280  575.442   21.735  452.530   8.7025  461.297   8.7194 -8.767548 12.31915 
1 1 1   25    2    4 o  859.753   10.479  2000.67   48.655  1957.79   67.395  2047.35   70.315  850.162   14.670  869.345   14.968 -19.18365 20.95870 
1 1 1   25    2    5 o  447.092   6.0568  540.307   14.629  529.034   20.421  552.191   20.967  442.305   8.5442  451.880   8.5868 -9.574738 12.11352 
1 1 1   25    2    6 o  636.198   11.279  1095.26   38.774   0.0000   0.0000  1095.26   38.774  ?   ?   636.198   11.279      ?      ? 
1 1 1   25    2    7 o  540.785   6.9864  790.924   20.414  779.916   28.618  802.328   29.128  536.955   9.8630  544.614   9.8976 -7.658325 13.97283 
1 1 1   25    2    8 o  183.353   6.8823   90.882   6.8188   0.0000   0.0000   90.882   6.8188  ?   ?   183.353   6.8823      ?      ? 
1 1 1   25    2    9 o  553.015   7.1386  826.701   21.324  806.909   29.644  847.921   30.696  546.165   10.044  559.865   10.146 -13.70081 14.27717 
1 1 1   25    2   10 o  602.292   7.6464  981.119   24.880  965.019   34.730  998.092   35.660  597.223   10.762  607.362   10.865 -10.13959 15.29277 
1 1 1   25    2   11 o  530.422   6.9149  761.018   19.819  753.646   27.900  768.527   28.159  527.829   9.7817  533.015   9.7765 -5.186035 13.82974 
1 1 1   25    2   12 o  635.436   8.0266  1092.51   27.556  1075.43   38.550  1110.35   39.405  630.363   11.317  640.509   11.385 -10.14606 16.05318 
1 1 1   25    2   13 o  600.424   10.799  975.596   35.036   0.0000   0.0000  975.596   35.036  ?   ?   600.424   10.799      ?      ? 
1 1 1   25    2   14 o  639.121   11.359  1105.58   39.230   0.0000   0.0000  1105.58   39.230  ?   ?   639.121   11.359      ?      ? 
1 1 1   25    2   15 o  234.362   6.9131  148.498   8.7548   0.0000   0.0000  148.498   8.7548  ?   ?   234.362   6.9131      ?      ? 
1 1 1   25    2   16 o  387.132   7.9620  405.313   16.656   0.0000   0.0000  405.313   16.656  ?   ?   387.132   7.9620      ?      ? 
1 1 1   25    2   17 o  667.947   8.3999  1208.21   30.314  1215.97   43.278  1200.75   42.475  670.040   11.953  665.854   11.805 4.186096 16.79978 
1 1 1   25    2   20 f  865.423   14.857  2032.42   69.478  2032.42   69.478   0.0000   0.0000  865.423   14.857  ?   ?       ?      ? 
1 1 1   25    2   21 o  592.494   10.493  950.920   33.595  950.920   33.595   0.0000   0.0000  592.494   10.493  ?   ?       ?      ? 
1 1 1   25    2   22 o  322.982   4.9404  282.242   8.5814  282.592   11.589  281.817   12.769  323.223   6.6352  322.740   7.3216 0.4831848 9.880837 
1 1 1   25    2   23 o  496.696   6.4981  668.172   17.438  681.617   24.645  654.692   24.677  501.713   9.0903  491.679   9.2880 10.03351 12.99619 
1 1 1   25    2   24 o  451.153   6.0525  551.304   14.742  556.459   20.468  545.747   21.250  453.367   8.3547  448.938   8.7595 4.429657 12.10499 
1 1 1   25    2   25 f  647.863   11.368  1138.70   39.797  1138.70   39.797   0.0000   0.0000  647.863   11.368  ?   ?       ?      ? 
1 1 1   25    2   26 o  479.767   8.7584  623.649   22.706  623.649   22.706   0.0000   0.0000  479.767   8.7584  ?   ?       ?      ? 
1 1 1   25    2   27 o  588.325   10.444  939.371   33.203  939.371   33.203   0.0000   0.0000  588.325   10.444  ?   ?       ?      ? 
1 1 1   25    2   28 o  340.877   6.8236  314.599   12.569  314.599   12.569   0.0000   0.0000  340.877   6.8236  ?   ?       ?      ? 
1 1 1   25    2   30 o  281.313   4.7944  215.533   7.2180  223.814   9.6750  205.139   10.840  287.497   6.2277  275.129   7.2910 12.36816 9.588711 
1 1 1   25    2   31 o   67.335   9.7248   13.726   3.0367   14.909   3.5283   10.348   5.9635   74.100   8.8118   60.570   17.339 13.53055 19.44966 
1 1 1   25    2   32 o  237.958   4.8056  154.254   6.0343  157.348   7.7832  149.592   9.5542  241.045   5.9755  234.870   7.5280 6.175446 9.611287 
1 1 1   25    2   33 o  121.192   6.2819   41.796   3.7303   44.868   4.5197   35.233   6.6066  128.668   6.5005  113.716   10.751 14.95132 12.56384 
1 1 1   25    2   34 o  195.007   7.8969  103.286   8.3213   0.0000   0.0000  103.286   8.3213  ?   ?   195.007   7.8969      ?      ? 
1 1 1   25    2   35 o  171.717   5.2688   79.242   4.6485   77.433   5.7148   82.780   7.9917  168.981   6.2586  174.453   8.4776 -5.471756 10.53750 
1 1 1   25    2   36 o  154.350   9.3208   64.925   7.7741   0.0000   0.0000   64.925   7.7741  ?   ?   154.350   9.3208      ?      ? 
1 1 1   25    2   39 o   46.713   11.253   4.7222   2.8451   3.9110   3.1700   8.0826   6.4520   38.640   12.919   54.786   18.430 -16.14579 22.50688 
1 1 1   25    2   40 o  178.146   4.2887   86.179   4.1218   85.620   5.6620   86.810   6.0119  177.557   5.9012  178.735   6.2247 -1.177612 8.577339 
1 1 1   25    2   41 f  136.126   4.7054   50.706   3.4411   53.866   4.7203   47.122   5.0270  140.742   6.2066  131.511   7.0740 9.231049 9.410811 
1 1 1   25    2   42 o   76.578   6.9948   16.087   2.8882   14.689   3.9811   17.642   4.1965   73.046   10.086   80.109   9.6944 -7.062874 13.98952 
1 1 1   25    2   43 o   34.414   9.2740   1.4672   2.6705   4.7210   3.6963  -2.0858   3.8625   41.894   13.949   26.934   12.225 14.95912 18.54791 
1 1 1   25    2   44 o  180.184   4.4883   88.528   4.3630   88.936   6.0101   88.073   6.3439  180.671   6.1561  179.697   6.5332 0.9732819 8.976664 
1 1 1   25    2   45 o   87.864   6.6513   21.204   3.1514   19.854   4.2948   22.778   4.6385   84.855   9.3664   90.873   9.4461 -6.018021 13.30255 
1 1 1   25    2   46 o   79.096   12.915   17.637   5.5198   17.637   5.5198   0.0000   0.0000   79.096   12.915  ?   ?       ?      ? 
1 1 1   25    2   47 f  162.718   6.2545   72.827   5.4873   68.604   7.4648   77.793   8.0936  157.638   8.7633  167.797   8.9262 -10.15869 12.50894 
1 1 1   25    2   48 o   33.439   10.391  -1.9362   3.8281   2.0023   5.3631  -6.0270   5.4659   38.778   15.938   28.100   13.337 10.67734 20.78186 
1 1 1   25    2   49 o  101.886   8.3766   29.315   4.5922   32.658   6.5491   26.081   6.4409  107.822   11.241   95.950   12.422 11.87104 16.75312 
1 1 1   25    2   50 o  209.353   4.7798  120.369   5.4036  121.863   7.5349  118.787   7.7536  210.761   6.6161  207.945   6.9002 2.815125 9.559606 
1 1 1   25    2   51 o  188.515   4.9443   97.466   5.0254   90.369   6.8512  105.732   7.3940  181.115   7.0004  195.915   6.9843 -14.80009 9.888639 
1 1 1   25    2   52 o  179.984   5.1013   89.516   4.9597   89.286   6.9218   89.759   7.1102  179.796   7.1244  180.172   7.3031 -0.3766632 10.20259 
1 1 1   25    2   53 o  200.564   5.1573  108.993   5.5362   92.620   7.3037  131.105   8.4877  183.133   7.3805  217.994   7.2054 -34.86075 10.31451 
1 1 1   25    2   54 o  112.380   7.1582   35.936   4.3335   34.305   5.8574   37.909   6.4410  109.719   9.8795  115.041   10.361 -5.322418 14.31643 
1 1 1   25    2   55 o   79.685   12.087   18.496   4.7221   14.848   5.5916   27.568   8.8173   68.289   15.507   91.081   18.545 -22.79230 24.17421 
1 1 1   25    2   56 o  149.918   8.9814   67.551   7.2100   77.095   10.205   58.041   10.188  161.664   11.682  138.171   13.645 23.49306 17.96278 
1 1 1   25    3    0 o  573.148   8.9974  883.866   26.204  873.760   31.926  904.730   45.873  568.331   10.396  577.964   14.688 -9.632446 17.99486 
1 1 1   25    3    1 o  500.464   9.2331  677.257   24.947  695.721   36.216  660.586   34.414  506.935   13.221  493.993   12.892 12.94199 18.46614 
1 1 1   25    3    2 o  402.874   7.8676  439.035   17.125  432.432   23.947  445.946   24.499  399.777   11.085  405.971   11.168 -6.194122 15.73521 
1 1 1   25    3    3 f  229.232   6.3836  138.685   7.8079  114.978   10.208  172.117   12.122  206.186   9.1616  252.277   8.8920 -46.09096 12.76725 
1 1 1   25    3    4 o  500.940   9.2063  679.378   24.920  681.757   35.345  677.027   35.142  501.811   13.035  500.070   13.005 1.741364 18.41269 
1 1 1   25    3    5 o  412.450   5.7832  459.750   12.886  447.617   17.986  472.543   18.470  406.862   8.1810  418.037   8.1762 -11.17499 11.56633 
1 1 1   25    3    6 o  541.425   7.0169  792.654   20.525  777.321   28.672  808.769   29.394  536.059   9.8982  546.792   9.9484 -10.73297 14.03374 
1 1 1   25    3    7 o  1054.63   17.979  3016.76  102.459   0.0000   0.0000  3016.76  102.459  ?   ?   1054.63   17.979      ?      ? 
1 1 1   25    3    8 o  241.713   4.8105  158.014   6.2794  152.089   8.8938  163.905   8.8672  237.190   6.9391  246.236   6.6642 -9.046799 9.620910 
1 1 1   25    3    9 o  280.817   6.8121  213.179   10.337   0.0000   0.0000  213.179   10.337  ?   ?   280.817   6.8121      ?      ? 
1 1 1   25    3   10 o  472.091   6.3493  602.316   16.191  586.349   22.524  619.388   23.290  465.623   8.9521  478.558   9.0064 -12.93539 12.69865 
1 1 1   25    3   11 o  527.440   6.9126  751.868   19.692  729.948   27.330  775.534   28.397  519.455   9.7366  535.425   9.8150 -15.96930 13.82518 
1 1 1   25    3   12 o  627.733   7.9483  1065.10   26.939  1033.31   37.196  1100.19   39.069  617.901   11.140  637.564   11.340 -19.66345 15.89661 
1 1 1   25    3   13 o  411.866   5.8535  458.661   13.025  446.228   18.290  471.454   18.553  406.202   8.3329  417.531   8.2230 -11.32880 11.70698 
1 1 1   25    3   14 o  419.607   5.9131  475.436   13.387  488.698   19.581  463.798   18.343  425.084   8.5248  414.129   8.1968 10.95538 11.82622 
1 1 1   25    3   15 o  264.978   7.0037  189.838   10.028   0.0000   0.0000  189.838   10.028  ?   ?   264.978   7.0037      ?      ? 
1 1 1   25    3   16 o  460.179   8.8374  572.871   21.975   0.0000   0.0000  572.871   21.975  ?   ?   460.179   8.8374      ?      ? 
1 1 1   25    3   17 o  590.174   7.5896  942.833   24.202  930.205   33.963  955.863   34.497  586.161   10.723  594.188   10.744 -8.026611 15.17922 
1 1 1   25    3   18 o  496.452   9.3764  666.966   25.154   0.0000   0.0000  666.966   25.154  ?   ?   496.452   9.3764      ?      ? 
1 1 1   25    3   19 o  904.474   15.621  2220.31   76.348   0.0000   0.0000  2220.31   76.348  ?   ?   904.474   15.621      ?      ? 
1 1 1   25    3   20 o  603.627   7.6326  986.844   24.894  1003.34   35.303  970.534   35.109  608.651   10.734  598.604   10.854 10.04779 15.26513 
1 1 1   25    3   21 o  185.582   7.6057   93.186   7.6272   0.0000   0.0000   93.186   7.6272  ?   ?   185.582   7.6057      ?      ? 
1 1 1   25    3   22 o  412.912   7.7174  461.376   17.219  461.376   17.219   0.0000   0.0000  412.912   7.7174  ?   ?       ?      ? 
1 1 1   25    3   23 o  421.307   7.8252  480.384   17.815  480.384   17.815   0.0000   0.0000  421.307   7.8252  ?   ?       ?      ? 
1 1 1   25    3   24 o  345.695   6.7222  323.316   12.557  323.316   12.557   0.0000   0.0000  345.695   6.7222  ?   ?       ?      ? 
1 1 1   25    3   25 o  189.306   4.7763   96.899   4.8859   96.899   4.8859   0.0000   0.0000  189.306   4.7763  ?   ?       ?      ? 
1 1 1   25    3   28 o  227.118   7.5928  139.737   9.3184   0.0000   0.0000  139.737   9.3184  ?   ?   227.118   7.5928      ?      ? 
1 1 1   25    3   30 f  132.481   9.8224   47.694   7.0317   0.0000   0.0000   47.694   7.0317  ?   ?   132.481   9.8224      ?      ? 
1 1 1   25    3   31 f  198.744   4.8034  110.272   4.6621  115.025   5.5832   99.324   8.4734  206.167   5.0116  191.321   8.1960 14.84502 9.606844 
1 1 1   25    3   33 o   84.722   7.7336   17.678   2.6726   16.784   2.9062   22.582   6.8052   78.679   6.8355   90.766   13.875 -12.08738 15.46730 
1 1 1   25    3   34 o  259.000   7.9054  182.228   11.064   0.0000   0.0000  182.228   11.064  ?   ?   259.000   7.9054      ?      ? 
1 1 1   25    3   35 o   83.604   8.5705   19.517   2.9975   19.573   3.3592   19.296   6.6404   84.898   7.3224   82.311   15.498 2.586937 17.14094 
1 1 1   25    3   36 o  162.019   5.5182   69.355   4.3064   67.058   5.0147   75.809   8.4048  157.265   5.9010  166.774   9.3263 -9.509140 11.03638 
1 1 1   25    3   37 o  162.878   9.5568   72.414   8.4113   0.0000   0.0000   72.414   8.4113  ?   ?   162.878   9.5568      ?      ? 
1 1 1   25    3   38 o   47.136   11.262   5.9363   3.0659   6.5133   3.4223   3.5905   6.9003   47.783   12.937   46.488   18.439 1.295315 22.52429 
1 1 1   25    3   39 o  144.169   5.9827   56.438   4.6607   56.438   4.6607   0.0000   0.0000  144.169   5.9827  ?   ?       ?      ? 
1 1 1   25    3   40 o   31.495   8.7488   0.9288   2.2965  -1.1068   3.0851   3.4584   3.4392   25.236   11.231   37.754   13.417 -12.51818 17.49769 
1 1 1   25    3   41 o  180.181   4.2952   87.956   4.1641   85.009   5.5977   91.609   6.2309  176.854   5.8575  183.509   6.2836 -6.654984 8.590317 
1 1 1   25    3   42 o  114.897   7.5207   36.045   4.6693   0.0000   0.0000   36.045   4.6693  ?   ?   114.897   7.5207      ?      ? 
1 1 1   25    3   43 o  235.371   8.1738  151.757   10.396  151.757   10.396   0.0000   0.0000  235.371   8.1738  ?   ?       ?      ? 
1 1 1   25    3   44 o  192.988   5.7940  102.074   6.0371  100.743   8.3441  103.536   8.7455  191.717   8.0543  194.260   8.3314 -2.542358 11.58808 
1 1 1   25    3   45 o  176.519   5.9030   85.467   5.6238   83.198   7.7298   88.018   8.1974  174.079   8.2174  178.959   8.4769 -4.880096 11.80602 
1 1 1   25    3   46 o   80.845   9.4861   19.192   3.9296   23.919   5.4764   14.176   5.6420   92.637   10.940   69.054   15.500 23.58291 18.97228 
1 1 1   25    3   47 o   87.714   7.7845   20.465   3.5741   17.531   4.4318   25.923   6.0449   79.337   10.337   96.091   11.642 -16.75327 15.56894 
1 1 1   25    3   48 f  187.363   4.7664   96.123   4.8092   96.055   6.5367   96.204   7.1008  187.394   6.4553  187.332   7.0146 0.6196594E-01 9.532878 
1 1 1   25    3   49 o  104.923   6.4803   30.827   3.6336   33.053   4.9137   28.142   5.3977  109.386   8.3130  100.459   9.9434 8.926491 12.96060 
1 1 1   25    3   50 o  100.168   6.8891   28.280   3.6819   30.239   4.9520   25.859   5.5057  104.389   8.7790   95.948   10.619 8.440689 13.77814 
1 1 1   25    3   51 o   42.671   11.085   4.6732   3.3725   3.6559   4.6958   5.7569   4.8467   40.006   15.401   45.335   15.947 -5.328838 22.16983 
1 1 1   25    3   52 o   60.990   11.089   11.491   3.6749   10.932   5.0995   12.094   5.3007   59.459   15.656   62.521   15.709 -3.062485 22.17861 
1 1 1   25    3   53 o  147.052   8.2767   60.063   6.5768   60.063   6.5768   0.0000   0.0000  147.052   8.2767  ?   ?       ?      ? 
1 1 1   25    3   54 o   53.092   12.131   9.1843   4.0007   10.290   5.4371   7.8788   5.9078   56.146   16.694   50.039   17.606 6.107281 24.26229 
1 1 1   25    3   55 o   55.259   11.641   9.8371   3.9863   13.663   5.4907   5.5727   5.7967   65.437   15.724   45.080   17.169 20.35656 23.28131 
1 1 1   25    3   56 o   76.616   10.357   18.600   4.1301   17.358   5.7847   19.891   5.8986   73.639   15.046   79.592   14.238 -5.952812 20.71425 
1 1 1   25    4    0 o  539.730   8.5339  791.837   23.773  800.132   29.614  776.802   39.869  543.864   10.077  535.597   13.776 8.267517 17.06774 
1 1 1   25    4    1 o  468.020   7.6530  594.206   18.473  597.926   22.965  587.387   31.093  470.200   9.0386  465.840   12.352 4.359894 15.30593 
1 1 1   25    4    2 o  253.640   4.9234  173.952   6.7424  173.063   9.7196  174.777   9.3610  253.012   7.1092  254.268   6.8131 -1.256271 9.846766 
1 1 1   25    4    3 o   65.037   12.355   11.826   4.4992   9.0946   6.3588   14.565   6.3668   58.204   18.204   71.870   16.711 -13.66576 24.71074 
1 1 1   25    4    4 o  178.558   6.4411   86.206   6.2107   90.631   8.8627   81.937   8.7059  183.061   8.9595  174.054   9.2563 9.007050 12.88225 
1 1 1   25    4    5 o  395.847   7.7717  423.956   16.623  426.577   23.647  421.396   23.372  397.055   11.022  394.640   10.960 2.414948 15.54336 
1 1 1   25    4    6 o  571.146   10.249  879.363   31.522  835.811   42.493  932.658   47.006  555.528   14.155  586.763   14.825 -31.23523 20.49790 
1 1 1   25    4    7 o  195.938   5.8014  102.510   6.0598   96.409   7.8535  111.487   9.5263  188.833   7.6966  203.043   8.6826 -14.21021 11.60278 
1 1 1   25    4    8 o  950.990   11.545  2445.95   59.229  2363.68   80.995  2540.50   86.832  933.891   16.050  968.090   16.599 -34.19818 23.08952 
1 1 1   25    4    9 o  455.480   8.7252  561.053   21.475   0.0000   0.0000  561.053   21.475  ?   ?   455.480   8.7252      ?      ? 
1 1 1   25    4   10 o  691.968   8.6684  1294.45   32.385  1255.05   44.687  1338.04   47.000  680.904   12.145  703.032   12.372 -22.12762 17.33685 
1 1 1   25    4   11 o  453.243   6.2181  555.646   15.226  554.190   21.751  557.045   21.320  452.656   8.8924  453.831   8.6938 -1.175110 12.43615 
1 1 1   25    4   12 o  629.510   7.9913  1072.32   27.180  1056.08   38.073  1089.20   38.816  624.652   11.279  634.368   11.323 -9.715637 15.98268 
1 1 1   25    4   13 o  311.043   5.2202  261.769   8.7666  250.241   12.426  273.192   12.370  304.215   7.5592  317.871   7.2014 -13.65640 10.44039 
1 1 1   25    4   14 o  284.673   7.0348  219.105   10.821   0.0000   0.0000  219.105   10.821  ?   ?   284.673   7.0348      ?      ? 
1 1 1   25    4   15 o  557.310   7.2744  838.943   21.884  806.041   30.116  875.754   31.854  545.761   10.212  568.859   10.363 -23.09821 14.54874 
1 1 1   25    4   16 o  478.254   6.4981  615.638   16.740  579.449   22.602  659.614   24.915  462.778   9.0383  493.730   9.3387 -30.95187 12.99622 
1 1 1   25    4   17 o  573.066   10.442  889.052   32.334   0.0000   0.0000  889.052   32.334  ?   ?   573.066   10.442      ?      ? 
1 1 1   25    4   18 o  344.678   5.3840  320.951   10.022  308.515   13.905  334.394   14.457  337.738   7.6193  351.619   7.6090 -13.88052 10.76799 
1 1 1   25    4   19 o  254.021   5.0049  174.238   6.8608  169.517   9.4161  179.579   10.017  250.364   6.9600  257.679   7.1940 -7.314835 10.00981 
1 1 1   25    4   20 o  651.747   11.429  1151.11   40.249  1151.11   40.249   0.0000   0.0000  651.747   11.429  ?   ?       ?      ? 
1 1 1   25    4   21 o  160.182   8.6035   69.456   7.4469   0.0000   0.0000   69.456   7.4469  ?   ?   160.182   8.6035      ?      ? 
1 1 1   25    4   22 o  140.821   9.2836   53.703   7.0643   0.0000   0.0000   53.703   7.0643  ?   ?   140.821   9.2836      ?      ? 
1 1 1   25    4   23 o  306.865   7.6185  254.841   12.633   0.0000   0.0000  254.841   12.633  ?   ?   306.865   7.6185      ?      ? 
1 1 1   25    4   26 o   98.109   12.457   26.167   6.6040   0.0000   0.0000   26.167   6.6040  ?   ?    98.109   12.457      ?      ? 
1 1 1   25    4   29 o  107.445   12.143   31.440   7.0501   0.0000   0.0000   31.440   7.0501  ?   ?   107.445   12.143      ?      ? 
1 1 1   25    4   30 o   57.464   18.534   8.8904   6.5485   0.0000   0.0000   8.8904   6.5485  ?   ?    57.464   18.534      ?      ? 
1 1 1   25    4   31 o  147.715   9.5537   59.298   7.6258   0.0000   0.0000   59.298   7.6258  ?   ?   147.715   9.5537      ?      ? 
1 1 1   25    4   33 o  180.047   8.9652   88.143   8.7224   0.0000   0.0000   88.143   8.7224  ?   ?   180.047   8.9652      ?      ? 
1 1 1   25    4   34 o  127.804   10.991   44.613   7.5905   0.0000   0.0000   44.613   7.5905  ?   ?   127.804   10.991      ?      ? 
1 1 1   25    4   35 o   39.945   17.256  -0.5073   6.8136   0.0000   0.0000  -0.5073   6.8136  ?   ?    39.945   17.256      ?      ? 
1 1 1   25    4   36 o  102.054   7.3990   29.276   2.9064   29.643   3.1629   27.288   7.3677  104.575   5.5973   99.534   13.699 5.041008 14.79801 
1 1 1   25    4   37 o  179.807   9.4814   88.276   9.2122   0.0000   0.0000   88.276   9.2122  ?   ?   179.807   9.4814      ?      ? 
1 1 1   25    4   39 o  284.927   10.558  222.838   16.256   0.0000   0.0000  222.838   16.256  ?   ?   284.927   10.558      ?      ? 
1 1 1   25    4   40 f  141.011   5.2695   54.191   4.0134   56.396   5.7032   52.027   5.6488  143.872   7.3359  138.150   7.5668 5.722519 10.53910 
1 1 1   25    4   41 o  167.515   5.3174   76.172   4.8002   69.977   6.5227   83.491   7.0898  160.121   7.5387  174.908   7.5012 -14.78740 10.63484 
1 1 1   25    4   42 o   84.982   7.0793   19.884   3.2411   17.910   4.5275   21.959   4.6418   80.593   10.396   89.371   9.6117 -8.778290 14.15860 
1 1 1   25    4   43 o  172.040   5.5331   80.338   5.1222   72.590   6.8901   89.910   7.6584  162.844   7.8300  181.236   7.8200 -18.39188 11.06622 
1 1 1   25    4   44 o  190.742   6.0816   99.116   6.2683   99.116   6.2683   0.0000   0.0000  190.742   6.0816  ?   ?       ?      ? 
1 1 1   25    4   45 o   44.922   10.298   5.6367   2.8482   5.8163   3.7962   5.4055   4.3079   45.241   14.052   44.603   15.059 0.6382027 20.59687 
1 1 1   25    4   46 o  117.126   5.4107   37.264   3.3984   34.704   4.4842   40.720   5.2091  112.512   7.3756  121.740   7.9185 -9.228416 10.82137 
1 1 1   25    4   47 o  207.326   4.6119  117.661   5.1496  118.487   7.0172  116.697   7.5806  208.225   6.2366  206.427   6.7960 1.797958 9.223869 
1 1 1   25    4   48 o   69.771   9.1663   15.203   3.2448   20.723   4.3596   8.3475   4.8585   86.466   9.3306   53.075   15.780 33.39112 18.33253 
1 1 1   25    4   49 o  179.980   4.8949   89.027   4.7458   90.221   6.4887   87.654   6.9592  181.402   6.6195  178.559   7.2126 2.842133 9.789772 
1 1 1   25    4   50 o  106.942   6.5777   31.887   3.7823   32.254   5.1214   31.447   5.6100  107.789   8.7928  106.095   9.7854 1.693817 13.15547 
1 1 1   25    4   51 o  163.230   5.2649   73.795   4.6271   74.415   6.3000   73.069   6.8182  164.150   7.1025  162.311   7.7738 1.838806 10.52983 
1 1 1   25    4   52 o   20.148   10.158 -15.6813   5.1545   0.0000   0.0000 -15.6813   5.1545  ?   ?    20.148   10.158      ?      ? 
1 1 1   25    4   54 o  115.099   7.1580   38.280   4.4369   39.003   6.0740   37.453   6.4966  116.608   9.6396  113.591   10.584 3.017250 14.31597 
1 1 1   25    4   55 o   56.368   11.231   9.8256   3.9881   3.8324   5.5889   16.043   5.6927   41.298   16.524   71.438   15.213 -30.13981 22.46103 
1 1 1   25    4   56 o   39.241   11.335   2.4293   4.0721   6.5304   5.7233  -1.7752   5.7950   46.098   17.167   32.384   14.805 13.71360 22.66916 
1 1 1   25    5    0 o  382.220   6.7611  396.267   13.232  391.667   22.616  398.661   16.316  380.460   11.001  383.981   7.8636 -3.520447 13.52227 
1 1 1   25    5    1 o  333.596   6.3085  301.612   10.996  303.522   13.906  298.423   17.966  335.050   7.6805  332.141   10.010 2.909576 12.61703 
1 1 1   25    5    2 o   81.793   16.424   18.782   7.0068   0.0000   0.0000   18.782   7.0068  ?   ?    81.793   16.424      ?      ? 
1 1 1   25    5    3 o  520.850   6.8905  733.692   19.391  718.833   27.250  748.935   27.600  515.506   9.7824  526.194   9.7068 -10.68744 13.78105 
1 1 1   25    5    4 o  145.956   5.8696   57.330   4.6143   60.922   6.8711   54.380   6.2276  150.097   8.4716  141.814   8.1266 8.282730 11.73923 
1 1 1   25    5    5 o  575.632   9.0056  891.292   26.262  913.288   46.258  880.830   31.903  580.651   14.743  570.612   10.347 10.03882 18.01121 
1 1 1   25    5    6 o  795.971   13.777  1716.94   59.193  1667.79   81.411  1772.07   86.218  783.952   19.218  807.990   19.747 -24.03809 27.55498 
1 1 1   25    5    7 o  855.972   14.747  1986.35   68.113  1925.45   93.370  2055.63   99.583  842.044   20.520  869.899   21.185 -27.85492 29.49387 
1 1 1   25    5    8 o  583.816   10.420  922.556   32.850  901.126   45.473  945.946   47.508  576.747   14.591  590.885   14.879 -14.13763 20.83939 
1 1 1   25    5    9 o  671.936   11.790  1222.17   42.753  1184.23   58.679  1265.09   62.419  660.877   16.431  682.994   16.913 -22.11707 23.58014 
1 1 1   25    5   10 o  159.357   6.4380   67.950   5.5110   75.766   8.3665   61.959   7.3245  167.361   9.2512  151.352   8.9558 16.00929 12.87599 
1 1 1   25    5   11 o  288.992   9.0361  225.901   14.111   0.0000   0.0000  225.901   14.111  ?   ?   288.992   9.0361      ?      ? 
1 1 1   25    5   12 o  383.130   7.9355  396.939   16.429   0.0000   0.0000  396.939   16.429  ?   ?   383.130   7.9355      ?      ? 
1 1 1   25    5   13 o  687.132   8.6422  1278.17   32.082  1286.16   45.904  1270.54   44.856  689.219   12.325  685.044   12.117 4.174561 17.28436 
1 1 1   25    5   14 o  580.083   10.579  910.691   33.160   0.0000   0.0000  910.691   33.160  ?   ?   580.083   10.579      ?      ? 
1 1 1   25    5   15 o  734.002   9.1719  1450.61   36.216  1368.22   48.511  1554.35   54.433  710.659   12.632  757.345   13.301 -46.68628 18.34376 
1 1 1   25    5   16 o  571.805   10.451  885.138   32.293   0.0000   0.0000  885.138   32.293  ?   ?   571.805   10.451      ?      ? 
1 1 1   25    5   17 o  558.470   10.256  844.272   30.950   0.0000   0.0000  844.272   30.950  ?   ?   558.470   10.256      ?      ? 
1 1 1   25    5   18 o  128.964   6.2435   46.797   4.0962   64.736   5.7915   28.839   5.7943  154.720   6.9271  103.209   10.390 51.51111 12.48709 
1 1 1   25    5   19 o  270.270   6.9351  197.566   10.128   0.0000   0.0000  197.566   10.128  ?   ?   270.270   6.9351      ?      ? 
1 1 1   25    5   21 o  335.571   7.9255  304.754   14.371   0.0000   0.0000  304.754   14.371  ?   ?   335.571   7.9255      ?      ? 
1 1 1   25    5   25 o   87.575   15.739   21.538   7.1741   0.0000   0.0000   21.538   7.1741  ?   ?    87.575   15.739      ?      ? 
1 1 1   25    5   26 f  167.428   9.1150   76.001   8.2465   0.0000   0.0000   76.001   8.2465  ?   ?   167.428   9.1150      ?      ? 
1 1 1   25    5   28 o   48.252   18.570   4.2980   6.8259   0.0000   0.0000   4.2980   6.8259  ?   ?    48.252   18.570      ?      ? 
1 1 1   25    5   34 o  164.673   11.752   74.212   10.457   0.0000   0.0000   74.212   10.457  ?   ?   164.673   11.752      ?      ? 
1 1 1   25    5   39 o  106.025   14.913   31.495   3.6719   31.355   3.7600   34.392   17.064  107.397   6.4790  104.653   29.113 2.743690 29.82554 
1 1 1   25    5   40 o  319.380   5.7224  278.610   9.4711  278.741   11.831  278.378   15.803  319.968   6.8430  318.791   9.1736 1.176697 11.44471 
1 1 1   25    5   41 o  153.447   4.3524   64.091   3.6058   64.835   5.0132   63.292   5.1901  154.396   6.0088  152.498   6.2983 1.898407 8.704824 
1 1 1   25    5   42 o  130.755   4.8074   46.896   3.3282   59.146   4.7996   35.550   4.6192  147.431   6.0246  114.078   7.4933 33.35265 9.614836 
1 1 1   25    5   43 o   93.387   5.8208   24.031   2.9211   25.449   4.0086   22.425   4.2656   96.426   7.6932   90.348   8.7373 6.078484 11.64159 
1 1 1   25    5   44 o   97.264   5.7459   25.778   3.0083   22.957   4.0860   29.117   4.4455   91.465   8.2672  103.063   7.9823 -11.59801 11.49187 
1 1 1   25    5   45 o  102.307   5.8238   28.555   3.1966   24.145   4.3394   33.787   4.7266   93.661   8.5740  110.953   7.8836 -17.29172 11.64756 
1 1 1   25    5   46 o  176.815   4.6814   85.563   4.4626   86.581   6.1292   84.414   6.5101  178.014   6.3717  175.617   6.8602 2.397598 9.362736 
1 1 1   25    5   47 o   82.002   7.8241   19.751   3.2288   24.067   4.3690   14.557   4.7929   93.339   8.6621   70.665   13.032 22.67478 15.64821 
1 1 1   25    5   48 o   46.962   10.688   6.1026   3.0960   4.6360   4.1238   7.9970   4.6869   41.921   14.712   52.003   15.508 -10.08240 21.37610 
1 1 1   25    5   49 o  176.494   4.9590   85.573   4.7178   85.208   6.4443   85.994   6.9256  176.190   6.7687  176.798   7.2492 -0.6076202 9.918023 
1 1 1   25    5   50 o  102.381   7.0082   29.549   3.8424   31.368   5.2120   27.383   5.6870  106.143   9.0872   98.620   10.672 7.522903 14.01644 
1 1 1   25    5   51 o   45.854   11.461   5.9174   3.6129   7.3926   4.8796   4.1274   5.3749   49.496   16.002   42.211   16.413 7.285652 22.92282 
1 1 1   25    5   52 o  182.714   8.0772   92.625   7.9748   0.0000   0.0000   92.625   7.9748  ?   ?   182.714   8.0772      ?      ? 
1 1 1   25    5   53 f   40.633   11.633   2.7637   3.9984   0.8997   5.3699   5.0830   5.9899   36.113   15.456   45.154   17.390 -9.041092 23.26617 
1 1 1   25    5   54 o   62.046   11.951   12.667   4.1238   10.595   5.5357   15.252   6.1813   56.411   16.861   67.680   16.941 -11.26981 23.90158 
1 1 1   25    5   55 o   28.643   9.6299  -5.7244   4.0584  -7.1158   5.5797  -4.1614   5.9137   26.742   12.899   30.544   14.303 -3.801943 19.25984 
1 1 1   25    5   56 o  174.642   5.7716   86.549   5.4400   87.503   7.5379   85.512   7.8586  175.877   7.9315  173.406   8.3867 2.471024 11.54319 
1 1 1   25    6    0 o  147.161   11.463   58.604   9.1153   58.604   9.1153   0.0000   0.0000  147.161   11.463  ?   ?       ?      ? 
1 1 1   25    6    1 o  926.160   11.308  2323.89   56.573  2350.82   81.257  2298.56   78.811  931.339   16.146  920.981   15.836 10.35760 22.61582 
1 1 1   25    6    2 o  233.350   6.0217  144.783   7.4322  136.022   9.4590  158.919   12.015  224.295   7.8044  242.405   9.1726 -18.11053 12.04345 
1 1 1   25    6    3 o  514.627   6.8658  716.296   19.092  705.992   26.875  726.794   27.127  510.889   9.7349  518.364   9.6844 -7.475037 13.73162 
1 1 1   25    6    4 o  300.850   5.2519  244.919   8.5296  238.419   12.230  251.076   11.902  296.955   7.6219  304.746   7.2273 -7.790924 10.50372 
1 1 1   25    6    5 o  480.433   6.5489  623.435   16.990  598.496   23.532  650.595   24.557  470.410   9.2574  490.457   9.2658 -20.04691 13.09788 
1 1 1   25    6    6 o  359.334   7.7284  349.122   15.006   0.0000   0.0000  349.122   15.006  ?   ?   359.334   7.7284      ?      ? 
1 1 1   25    6    7 o  156.860   7.8914   66.532   6.6889   0.0000   0.0000   66.532   6.6889  ?   ?   156.860   7.8914      ?      ? 
1 1 1   25    6    8 o  126.576   6.7901   42.608   4.6048   50.192   7.0596   36.992   6.0750  136.213   9.5912  116.938   9.6140 19.27511 13.58014 
1 1 1   25    6    9 f  934.833   13.925  2370.67   66.281  2382.88  115.017  2364.60   81.101  935.806   22.745  933.859   16.072 1.946350 27.85023 
1 1 1   25    6   10 o  527.514   9.5853  753.378   27.316  737.387   38.112  770.270   39.171  521.764   13.518  533.263   13.594 -11.49927 19.17059 
1 1 1   25    6   11 o  735.450   12.795  1467.53   50.838  1446.85   71.085  1489.19   72.736  730.160   18.016  740.739   18.172 -10.57880 25.58905 
1 1 1   25    6   12 o  706.323   12.326  1351.63   46.992  1311.49   64.640  1396.62   68.434  695.257   17.206  717.390   17.654 -22.13257 24.65116 
1 1 1   25    6   13 o  155.103   6.2923   65.544   5.2212   61.239   7.8045   69.032   7.0246  150.445   9.6002  159.762   8.1370 -9.317535 12.58469 
1 1 1   25    6   14 o  301.624   6.5250  246.212   10.632  243.243   15.141  249.099   14.934  299.824   9.3456  303.423   9.1084 -3.598877 13.04998 
1 1 1   25    6   15 o  158.603   6.1240   68.229   5.2331   62.748   7.4456   73.581   7.3568  152.282   9.0482  164.925   8.2550 -12.64299 12.24802 
1 1 1   25    6   16 o  554.559   9.9278  833.673   29.744  843.468   42.564  824.324   41.583  557.731   14.123  551.388   13.956 6.342407 19.85553 
1 1 1   25    6   17 o  287.454   6.2278  223.506   9.6722  228.378   13.821  218.829   13.540  290.523   8.8037  284.384   8.8113 6.139252 12.45569 
1 1 1   25    6   18 o  422.323   7.9149  482.915   18.054  475.000   25.070  491.441   26.020  418.742   11.079  425.904   11.306 -7.162354 15.82973 
1 1 1   25    6   19 o  137.014   14.073   50.968   10.419   0.0000   0.0000   50.968   10.419  ?   ?   137.014   14.073      ?      ? 
1 1 1   25    6   20 f  447.475   12.566  543.243   30.384   0.0000   0.0000  543.243   30.384  ?   ?   447.475   12.566      ?      ? 
1 1 1   25    6   21 o  171.687   12.010   79.955   11.142   0.0000   0.0000   79.955   11.142  ?   ?   171.687   12.010      ?      ? 
1 1 1   25    6   22 o  573.972   15.006  895.946   46.542   0.0000   0.0000  895.946   46.542  ?   ?   573.972   15.006      ?      ? 
1 1 1   25    6   23 o   64.631   21.975   10.622   9.1736   0.0000   0.0000   10.622   9.1736  ?   ?    64.631   21.975      ?      ? 
1 1 1   25    6   24 o   45.610   19.550  -0.3703   8.6140   0.0000   0.0000  -0.3703   8.6140  ?   ?    45.610   19.550      ?      ? 
1 1 1   25    6   25 o  216.587   10.772  127.342   12.607   0.0000   0.0000  127.342   12.607  ?   ?   216.587   10.772      ?      ? 
1 1 1   25    6   26 o  560.101   14.858  855.856   44.968   0.0000   0.0000  855.856   44.968  ?   ?   560.101   14.858      ?      ? 
1 1 1   25    6   34 o   75.979   30.127   11.101   18.416   0.0000   0.0000   11.101   18.416  ?   ?    75.979   30.127      ?      ? 
1 1 1   25    6   35 o   84.941   30.307   19.462   17.565   0.0000   0.0000   19.462   17.565  ?   ?    84.941   30.307      ?      ? 
1 1 1   25    6   36 f  120.081   13.003   39.719   8.4376   0.0000   0.0000   39.719   8.4376  ?   ?   120.081   13.003      ?      ? 
1 1 1   25    6   37 o  128.063   12.420   45.214   8.5947   0.0000   0.0000   45.214   8.5947  ?   ?   128.063   12.420      ?      ? 
1 1 1   25    6   38 o   88.611   18.103   22.911   8.3754   0.0000   0.0000   22.911   8.3754  ?   ?    88.611   18.103      ?      ? 
1 1 1   25    6   40 o  128.390   9.5421   46.073   6.5459   46.802   8.6820   45.113   9.9646  129.886   12.370  126.893   14.532 2.993034 19.08413 
1 1 1   25    6   41 o  186.534   4.3335   94.116   4.3544  102.166   6.4739   87.465   5.8844  193.763   6.1831  179.304   6.0732 14.45924 8.666928 
1 1 1   25    6   42 o  125.031   6.6317   42.624   4.4805   0.0000   0.0000   42.624   4.4805  ?   ?   125.031   6.6317      ?      ? 
1 1 1   25    6   43 o   36.337   9.4471   2.9579   2.4977   1.4806   3.7254   4.1643   3.3664   33.128   13.408   39.546   13.312 -6.417580 18.89411 
1 1 1   25    6   44 o  138.454   4.8467   52.369   3.6256   53.662   5.1525   51.100   5.1025  140.158   6.8032  136.749   6.9051 3.409103 9.693464 
1 1 1   25    6   45 o   67.636   8.4799   13.265   2.9376   18.999   4.2613   8.0726   4.0552   82.875   9.5154   52.397   14.039 30.47815 16.95984 
1 1 1   25    6   46 o  195.509   4.5861  104.284   4.8371  100.619   6.6141  108.498   7.0922  191.862   6.3796  199.156   6.5902 -7.293533 9.172256 
1 1 1   25    6   47 o   60.125   9.3583   10.367   3.0588   6.9472   4.1637   14.377   4.5084   48.742   14.635   71.509   11.667 -22.76669 18.71657 
1 1 1   25    6   48 o   39.665   10.495   3.6117   3.0741   4.7751   4.2380   2.3199   4.4657   42.417   14.913   36.914   14.771 5.502346 20.98982 
1 1 1   25    6   49 o  175.373   4.9898   84.465   4.7175   83.338   6.4360   85.775   6.9350  174.201   6.8372  176.544   7.2695 -2.342712 9.979653 
1 1 1   25    6   50 o   42.455   11.229   4.3717   3.4920   3.1299   4.7862   5.7850   5.1061   39.103   15.405   45.808   16.341 -6.704861 22.45752 
1 1 1   25    6   51 o   64.473   10.900   12.459   3.8590   7.7917   5.1529   18.419   5.8232   50.745   16.448   78.200   14.308 -27.45459 21.80042 
1 1 1   25    6   53 o  181.663   5.5283   91.765   5.3886   88.841   7.1613   95.582   8.1816  178.636   7.4188  184.689   8.1981 -6.052277 11.05653 
1 1 1   25    6   54 o  122.339   6.8751   42.966   4.5156   45.147   6.1632   40.439   6.6350  126.158   9.0408  118.520   10.360 7.638000 13.75012 
1 1 1   25    6   55 f   48.560   11.491   6.7680   4.0694   12.252   5.6250   0.7466   5.8944   60.837   16.633   36.283   15.858 24.55411 22.98141 
1 1 1   25    7    0 o  679.209   8.5839  1248.62   31.504  1237.90   44.498  1259.39   44.609  676.284   12.177  682.134   12.102 -5.850586 17.16786 
1 1 1   25    7    1 o  660.963   10.205  1183.68   34.429  1182.21   59.376  1184.43   42.258  660.380   16.639  661.546   11.821 -1.166138 20.41071 
1 1 1   25    7    2 o  514.931   9.7359  717.231   27.090   0.0000   0.0000  717.231   27.090  ?   ?   514.931   9.7359      ?      ? 
1 1 1   25    7    3 o  467.866   7.8362  579.734   18.634  556.730   22.565  629.054   33.041  453.695   9.2042  482.036   12.685 -28.34146 15.67231 
1 1 1   25    7    4 o  453.359   8.9455  555.889   21.915   0.0000   0.0000  555.889   21.915  ?   ?   453.359   8.9455      ?      ? 
1 1 1   25    7    5 o  333.620   5.5048  301.073   9.9184  289.529   14.029  312.612   14.025  327.217   7.9340  340.022   7.6331 -12.80414 11.00963 
1 1 1   25    7    6 o  269.975   5.2740  197.270   7.6824  193.012   11.103  201.180   10.641  267.171   7.6905  272.779   7.2192 -5.607941 10.54801 
1 1 1   25    7    7 o  632.062   8.1090  1079.45   27.667  1040.99   38.082  1122.46   40.264  620.167   11.364  643.958   11.571 -23.79083 16.21803 
1 1 1   25    7    8 o  358.019   5.7383  346.424   11.087  322.497   15.479  371.629   15.887  345.326   8.2953  370.713   7.9310 -25.38773 11.47661 
1 1 1   25    7    9 o  875.244   10.759  2068.48   50.749  1975.62   68.775  2179.48   75.193  853.816   14.907  896.672   15.519 -42.85590 21.51825 
1 1 1   25    7   12 o  476.762   9.1677  614.967   23.618   0.0000   0.0000  614.967   23.618  ?   ?   476.762   9.1677      ?      ? 
1 1 1   25    7   13 o   70.378   10.091   15.785   3.7278   6.0406   5.9278   22.160   4.7944   50.269   17.639   90.487   9.8053 -40.21857 20.18138 
1 1 1   25    7   14 o  256.532   5.2569  178.602   7.2535  159.406   10.287  197.580   10.229  242.762   7.8422  270.302   7.0030 -27.53963 10.51390 
1 1 1   25    7   15 o  600.700   7.8015  972.842   25.259  919.675   34.252  1036.22   37.397  582.805   10.876  618.594   11.188 -35.78912 15.60304 
1 1 1   25    7   16 o  137.272   5.8804   51.614   4.2941   46.667   6.4828   55.482   5.7319  131.319   9.1358  143.225   7.4061 -11.90565 11.76070 
1 1 1   25    7   17 o  274.979   5.5716  202.824   8.0908  212.635   13.028  196.665   10.323  280.310   8.6013  269.648   7.0844 10.66211 11.14318 
1 1 1   25    7   18 o  231.296   5.1647  144.487   6.4079  146.734   9.6989  142.747   8.5364  232.872   7.7076  229.721   6.8768 3.151581 10.32941 
1 1 1   25    7   19 o  170.718   18.296   79.437   16.878   0.0000   0.0000   79.437   16.878  ?   ?   170.718   18.296      ?      ? 
1 1 1   25    7   20 o  468.022   14.115  595.045   35.697   0.0000   0.0000  595.045   35.697  ?   ?   468.022   14.115      ?      ? 
1 1 1   25    7   23 o  217.917   15.675  129.437   18.458   0.0000   0.0000  129.437   18.458  ?   ?   217.917   15.675      ?      ? 
1 1 1   25    7   24 o  239.747   14.837  156.667   19.222   0.0000   0.0000  156.667   19.222  ?   ?   239.747   14.837      ?      ? 
1 1 1   25    7   25 o  383.361   13.520  400.225   28.006   0.0000   0.0000  400.225   28.006  ?   ?   383.361   13.520      ?      ? 
1 1 1   25    7   26 o  139.925   21.306   54.032   16.110   0.0000   0.0000   54.032   16.110  ?   ?   139.925   21.306      ?      ? 
1 1 1   25    7   27 o  345.993   13.058  326.351   24.413   0.0000   0.0000  326.351   24.413  ?   ?   345.993   13.058      ?      ? 
1 1 1   25    7   30 o   72.929   19.626   15.239   7.9045   0.0000   0.0000   15.239   7.9045  ?   ?    72.929   19.626      ?      ? 
1 1 1   25    7   31 o  232.036   8.6877  146.293   10.893   0.0000   0.0000  146.293   10.893  ?   ?   232.036   8.6877      ?      ? 
1 1 1   25    7   33 o  118.400   13.178   38.495   8.4312   0.0000   0.0000   38.495   8.4312  ?   ?   118.400   13.178      ?      ? 
1 1 1   25    7   34 o  142.897   11.375   55.884   8.7837   0.0000   0.0000   55.884   8.7837  ?   ?   142.897   11.375      ?      ? 
1 1 1   25    7   35 o  119.378   13.230   39.239   8.5344   0.0000   0.0000   39.239   8.5344  ?   ?   119.378   13.230      ?      ? 
1 1 1   25    7   37 o  109.376   14.140   33.211   8.3572   0.0000   0.0000   33.211   8.3572  ?   ?   109.376   14.140      ?      ? 
1 1 1   25    7   38 o  176.402   10.104   85.333   9.6317   0.0000   0.0000   85.333   9.6317  ?   ?   176.402   10.104      ?      ? 
1 1 1   25    7   39 o  133.587   12.367   49.423   8.9273   0.0000   0.0000   49.423   8.9273  ?   ?   133.587   12.367      ?      ? 
1 1 1   25    7   40 o  178.143   8.0926   88.957   7.6813   99.640   10.502   76.667   11.265  190.222   10.217  166.063   12.553 24.15846 16.18513 
1 1 1   25    7   41 o  139.652   6.3950   48.665   3.7514   61.644   9.1697   46.056   4.1112  149.177   11.375  130.128   5.8467 19.04930 12.78992 
1 1 1   25    7   42 f  135.625   6.2474   50.123   4.5785   0.0000   0.0000   50.123   4.5785  ?   ?   135.625   6.2474      ?      ? 
1 1 1   25    7   43 o  172.921   6.2697   81.512   5.8584   0.0000   0.0000   81.512   5.8584  ?   ?   172.921   6.2697      ?      ? 
1 1 1   25    7   44 o   70.497   7.7883   13.626   2.8564   17.517   4.4471   10.894   3.7269   79.455   10.358   61.538   11.634 17.91772 15.57653 
1 1 1   25    7   45 o   75.702   7.8236   16.457   3.0632   13.882   4.5084   18.665   4.1749   69.276   12.503   82.128   9.4074 -12.85172 15.64720 
1 1 1   25    7   46 o   55.911   9.9837   9.3075   3.0156   8.7483   4.4490   9.7828   4.1015   54.242   14.777   57.581   13.429 -3.338966 19.96735 
1 1 1   25    7   47 o  121.173   5.6951   40.466   3.7053   34.765   5.1613   46.528   5.3225  112.227   8.5109  130.119   7.5699 -17.89241 11.39025 
1 1 1   25    7   48 o   71.938   8.9610   15.076   3.3592   18.325   4.7819   11.912   4.7200   80.717   10.963   63.160   14.177 17.55687 17.92193 
1 1 1   25    7   49 o  152.015   7.8855   63.826   6.4775   0.0000   0.0000   63.826   6.4775  ?   ?   152.015   7.8855      ?      ? 
1 1 1   25    7   50 o  132.209   6.1141   48.935   4.3535   52.161   6.0711   45.520   6.2462  136.919   8.2057  127.499   9.0661 9.419617 12.22820 
1 1 1   25    7   51 o   32.225   10.279  -2.4543   3.8627  -5.0860   5.3369   0.4412   5.5979   28.271   13.347   36.179   15.636 -7.908607 20.55733 
1 1 1   25    7   52 o   23.994   8.3793 -11.8042   3.9578  -8.2436   5.5825 -15.4028   5.6121   26.219   12.708   21.768   10.925 4.450417 16.75870 
1 1 1   25    7   53 o  176.892   8.0691   88.200   7.7130   0.0000   0.0000   88.200   7.7130  ?   ?   176.892   8.0691      ?      ? 
1 1 1   25    7   54 o   47.424   12.067   6.3194   4.0284   3.8331   5.4344   9.3518   6.0017   41.024   16.334   53.825   17.767 -12.80188 24.13449 
1 1 1   25    7   55 f   53.309   11.776   8.6267   4.1458   3.2919   5.5697   15.255   6.2081   39.436   16.229   67.183   17.067 -27.74703 23.55116 
1 1 1   25    8    1 f  249.444   5.6001  168.816   7.4989  162.906   11.155  173.690   10.129  245.434   8.4109  253.455   7.3959 -8.020538 11.20011 
1 1 1   25    8    2 o  190.026   6.8889  101.325   6.7100   84.865   10.888  111.405   8.5202  177.075   11.379  202.977   7.7681 -25.90176 13.77786 
1 1 1   25    8    3 o  628.578   9.8928  1044.67   31.114  1004.81   37.166  1138.06   56.886  609.306   11.288  647.850   16.250 -38.54395 19.78567 
1 1 1   25    8    4 f  131.174   8.0047   46.647   5.6495   47.452   7.6803   45.698   8.3397  132.420   10.733  129.927   11.878 2.493256 16.00946 
1 1 1   25    8    5 o  314.108   7.5806  266.784   12.867   0.0000   0.0000  266.784   12.867  ?   ?   314.108   7.5806      ?      ? 
1 1 1   25    8    6 o  364.320   5.8022  357.911   11.403  331.252   15.692  387.743   16.600  349.982   8.2975  378.658   8.1127 -28.67636 11.60448 
1 1 1   25    8    7 o  435.964   6.3581  513.983   14.972  493.010   21.012  535.613   21.339  426.926   9.1081  445.002   8.8739 -18.07651 12.71630 
1 1 1   25    8    8 o  178.535   6.0781   86.020   5.8124   87.608   8.8610   84.821   7.7007  179.967   9.1117  177.103   8.0466 2.863159 12.15615 
1 1 1   25    8    9 o  314.717   7.5884  267.833   12.905   0.0000   0.0000  267.833   12.905  ?   ?   314.717   7.5884      ?      ? 
1 1 1   25    8   11 o  720.857   9.0895  1404.92   35.358  1351.36   48.489  1465.75   51.671  706.240   12.706  735.475   13.001 -29.23566 18.17894 
1 1 1   25    8   12 o  596.465   7.7679  962.456   25.025  933.086   34.761  994.055   36.056  587.031   10.958  605.900   11.013 -18.86865 15.53577 
1 1 1   25    8   13 o  185.014   5.5988   93.177   5.5510   87.169   8.2388   98.171   7.5120  179.502   8.4939  190.526   7.2965 -11.02364 11.19753 
1 1 1   25    8   16 o  420.893   6.0682  477.359   13.771  446.071   18.750  514.000   20.291  405.987   8.5469  435.799   8.6165 -29.81186 12.13646 
1 1 1   25    8   17 o  278.654   7.0699  210.056   10.645   0.0000   0.0000  210.056   10.645  ?   ?   278.654   7.0699      ?      ? 
1 1 1   25    8   18 o  486.243   6.6555  634.964   17.402  587.911   23.248  694.926   26.244  465.948   9.2333  506.539   9.5881 -40.59082 13.31107 
1 1 1   25    8   21 o   82.243   18.786   19.207   8.1658   0.0000   0.0000   19.207   8.1658  ?   ?    82.243   18.786      ?      ? 
1 1 1   25    8   22 o  309.503   8.2980  259.456   13.878   0.0000   0.0000  259.456   13.878  ?   ?   309.503   8.2980      ?      ? 
1 1 1   25    8   23 o  245.824   8.5324  163.745   11.334   0.0000   0.0000  163.745   11.334  ?   ?   245.824   8.5324      ?      ? 
1 1 1   25    8   24 o  309.912   8.3976  260.288   14.063   0.0000   0.0000  260.288   14.063  ?   ?   309.912   8.3976      ?      ? 
1 1 1   25    8   25 o  397.742   8.9436  429.027   19.222   0.0000   0.0000  429.027   19.222  ?   ?   397.742   8.9436      ?      ? 
1 1 1   25    8   28 o  192.351   9.5842  100.554   9.9618   0.0000   0.0000  100.554   9.9618  ?   ?   192.351   9.5842      ?      ? 
1 1 1   25    8   30 o  250.827   8.8853  170.962   12.043   0.0000   0.0000  170.962   12.043  ?   ?   250.827   8.8853      ?      ? 
1 1 1   25    8   31 o  217.758   9.2604  129.034   10.897   0.0000   0.0000  129.034   10.897  ?   ?   217.758   9.2604      ?      ? 
1 1 1   25    8   32 o  166.324   10.679   75.532   9.5978   0.0000   0.0000   75.532   9.5978  ?   ?   166.324   10.679      ?      ? 
1 1 1   25    8   33 o  134.903   12.493   49.923   9.1070   0.0000   0.0000   49.923   9.1070  ?   ?   134.903   12.493      ?      ? 
1 1 1   25    8   34 o  129.754   12.933   46.290   9.0676   0.0000   0.0000   46.290   9.0676  ?   ?   129.754   12.933      ?      ? 
1 1 1   25    8   35 o   48.160   19.478   3.2354   7.8571   0.0000   0.0000   3.2354   7.8571  ?   ?    48.160   19.478      ?      ? 
1 1 1   25    8   36 o  121.823   13.575   41.091   8.9363   0.0000   0.0000   41.091   8.9363  ?   ?   121.823   13.575      ?      ? 
1 1 1   25    8   37 o  191.387   9.8887  100.350   10.227   0.0000   0.0000  100.350   10.227  ?   ?   191.387   9.8887      ?      ? 
1 1 1   25    8   38 o   77.797   19.649   17.974   8.2626   0.0000   0.0000   17.974   8.2626  ?   ?    77.797   19.649      ?      ? 
1 1 1   25    8   39 o  103.117   15.702   29.990   8.7492   0.0000   0.0000   29.990   8.7492  ?   ?   103.117   15.702      ?      ? 
1 1 1   25    8   40 o  110.651   10.727   34.505   6.2913   34.459   8.1519   34.572   9.8932  111.016   13.589  110.286   16.601 0.7295303 21.45334 
1 1 1   25    8   41 o  269.929   7.7130  202.240   11.203  207.477   15.291  196.171   16.461  274.053   10.325  265.805   11.461 8.247955 15.42597 
1 1 1   25    8   42 o  287.982   6.2138  223.639   8.7341  238.063   16.557  218.078   10.281  293.285   10.447  282.678   6.7305 10.60669 12.42768 
1 1 1   25    8   43 o   96.334   6.0407   26.233   3.0297   22.284   4.7517   28.939   3.9329   89.790   9.7935  102.878   7.0745 -13.08788 12.08145 
1 1 1   25    8   44 o   84.455   7.0776   20.265   3.1223   17.490   4.8788   22.190   4.0633   79.111   11.413   89.799   8.3737 -10.68790 14.15525 
1 1 1   25    8   45 o  114.526   7.8079   36.058   4.8320   0.0000   0.0000   36.058   4.8320  ?   ?   114.526   7.8079      ?      ? 
1 1 1   25    8   46 o  307.151   7.1659  258.802   11.894   0.0000   0.0000  258.802   11.894  ?   ?   307.151   7.1659      ?      ? 
1 1 1   25    8   47 o   49.548   10.688   6.5991   3.3229   10.986   4.9866   3.0949   4.4565   60.454   15.262   38.642   14.967 21.81208 21.37673 
1 1 1   25    8   48 o  281.648   5.0272  217.861   7.6425  212.678   10.517  223.660   11.125  278.181   6.9963  285.115   7.2210 -6.934265 10.05442 
1 1 1   25    8   49 o  145.771   5.7313   58.903   4.5136   57.407   6.3621   60.418   6.4046  143.873   8.1834  147.669   8.0263 -3.796829 11.46251 
1 1 1   25    8   50 o  104.861   7.4256   31.222   4.1907   28.083   5.9160   34.384   5.9372   99.310   11.024  110.412   9.9512 -11.10188 14.85118 
1 1 1   25    8   51 o   89.755   12.255   23.098   5.9438   0.0000   0.0000   23.098   5.9438  ?   ?    89.755   12.255      ?      ? 
1 1 1   25    8   52 f   89.717   8.9398   23.519   4.3317   23.328   6.2070   23.701   6.0481   89.237   12.872   90.196   12.409 -0.9590912 17.87951 
1 1 1   25    8   53 o   71.477   10.958   16.413   4.2388   11.343   5.9727   21.558   6.0166   58.218   17.539   84.736   13.140 -26.51800 21.91530 
1 1 1   25    8   54 f  105.423   7.9296   32.797   4.4439   37.308   6.1117   27.735   6.4731  114.056   9.9165   96.790   12.376 17.26643 15.85916 
1 1 1   25    9    0 o  279.007   7.7196  216.268   10.171  199.077   19.629  222.578   11.892  271.110   13.399  286.904   7.6706 -15.79385 15.43929 
1 1 1   25    9    1 o  377.292   5.9557  384.599   12.126  357.304   16.883  413.682   17.427  363.471   8.5957  391.112   8.2458 -27.64142 11.91130 
1 1 1   25    9    2 o  728.886   11.094  1453.78   41.845  1392.12   69.311  1489.15   52.490  716.239   17.908  741.534   13.100 -25.29413 22.18801 
1 1 1   25    9    3 o  306.246   6.5850  252.196   10.420  258.784   17.631  248.659   12.917  309.250   10.550  303.242   7.8827 6.007874 13.16997 
1 1 1   25    9    4 o  563.161   8.9620  861.524   26.188  868.742   32.820  848.874   43.448  566.595   10.720  559.727   14.365 6.868286 17.92390 
1 1 1   25    9    5 o  274.758   6.4104  201.380   9.3403  190.459   11.964  218.423   14.946  265.375   8.3433  284.140   9.7345 -18.76508 12.82076 
1 1 1   25    9    6 o  358.507   5.9265  347.033   11.464  321.584   15.892  374.649   16.554  344.818   8.5289  372.195   8.2310 -27.37701 11.85292 
1 1 1   25    9    7 f  528.385   7.1707  751.807   20.419  704.816   27.673  807.973   30.254  510.357   10.034  546.412   10.246 -36.05505 14.34140 
1 1 1   25    9    8 o  481.052   9.3470  626.134   24.297   0.0000   0.0000  626.134   24.297  ?   ?   481.052   9.3470      ?      ? 
1 1 1   25    9    9 o  409.547   6.1392  453.776   13.581  436.920   19.119  470.943   19.295  401.862   8.8044  417.231   8.5581 -15.36917 12.27842 
1 1 1   25    9   10 o   56.993   12.738   8.5088   4.3430   9.9280   6.7784   7.5205   5.6566   60.577   18.770   53.409   17.225 7.167233 25.47596 
1 1 1   25    9   12 o  463.597   9.1409  581.570   22.899   0.0000   0.0000  581.570   22.899  ?   ?   463.597   9.1409      ?      ? 
1 1 1   25    9   13 o  1203.83   20.589  3947.71  133.933   0.0000   0.0000  3947.71  133.933  ?   ?   1203.83   20.589      ?      ? 
1 1 1   25    9   14 o  804.146   10.029  1753.31   43.560  1708.96   60.456  1801.19   62.818  793.600   14.098  814.691   14.269 -21.09058 20.05894 
1 1 1   25    9   15 o  572.665   7.5761  887.920   23.436  859.441   32.672  918.103   33.635  563.210   10.735  582.120   10.693 -18.91022 15.15221 
1 1 1   25    9   16 o  227.549   5.1556  140.096   6.3331  139.968   9.1580  140.213   8.7676  227.443   7.4514  227.656   7.1272 -0.2127075 10.31115 
1 1 1   25    9   17 o  235.144   5.0792  149.628   6.4340  149.221   9.4708  149.977   8.7678  234.834   7.4634  235.454   6.8912 -0.6201324 10.15834 
1 1 1   25    9   18 o   66.149   8.1559   11.897   2.8176   15.155   4.2417   9.3250   3.7693   74.778   10.497   57.520   12.485 17.25748 16.31189 
1 1 1   25    9   19 o  353.271   7.2929  337.723   13.922   0.0000   0.0000  337.723   13.922  ?   ?   353.271   7.2929      ?      ? 
1 1 1   25    9   20 o  218.898   6.1467  129.622   7.2706   0.0000   0.0000  129.622   7.2706  ?   ?   218.898   6.1467      ?      ? 
1 1 1   25    9   21 o  260.944   8.4361  184.454   11.895   0.0000   0.0000  184.454   11.895  ?   ?   260.944   8.4361      ?      ? 
1 1 1   25    9   23 o  228.782   8.8344  141.898   10.922   0.0000   0.0000  141.898   10.922  ?   ?   228.782   8.8344      ?      ? 
1 1 1   25    9   25 o  224.238   9.0012  136.429   10.907   0.0000   0.0000  136.429   10.907  ?   ?   224.238   9.0012      ?      ? 
1 1 1   25    9   31 o  115.593   13.956   36.745   8.7172   0.0000   0.0000   36.745   8.7172  ?   ?   115.593   13.956      ?      ? 
1 1 1   25    9   32 o  127.380   12.883   44.545   8.8673   0.0000   0.0000   44.545   8.8673  ?   ?   127.380   12.883      ?      ? 
1 1 1   25    9   33 o  130.714   12.933   46.963   9.1347   0.0000   0.0000   46.963   9.1347  ?   ?   130.714   12.933      ?      ? 
1 1 1   25    9   36 o  138.659   12.078   53.012   9.0494   0.0000   0.0000   53.012   9.0494  ?   ?   138.659   12.078      ?      ? 
1 1 1   25    9   37 o   75.209   20.843   16.807   8.7636   0.0000   0.0000   16.807   8.7636  ?   ?    75.209   20.843      ?      ? 
1 1 1   25    9   38 o   40.403   17.995  -2.2523   7.9356   0.0000   0.0000  -2.2523   7.9356  ?   ?    40.403   17.995      ?      ? 
1 1 1   25    9   39 o  127.610   13.050   45.391   8.9986   0.0000   0.0000   45.391   8.9986  ?   ?   127.610   13.050      ?      ? 
1 1 1   25    9   40 o   51.731   20.146   5.5715   8.1076   0.0000   0.0000   5.5715   8.1076  ?   ?    51.731   20.146      ?      ? 
1 1 1   25    9   41 o  101.489   12.389   28.881   6.5294   23.446   8.3254   37.568   10.524   88.683   17.988  114.295   17.041 -25.61190 24.77807 
1 1 1   25    9   42 o  133.600   6.8614   44.945   3.8354   56.464   9.3958   42.642   4.2014  142.128   12.234  125.072   6.2165 17.05653 13.72274 
1 1 1   25    9   43 o  186.146   6.2290   94.549   6.2656   0.0000   0.0000   94.549   6.2656  ?   ?   186.146   6.2290      ?      ? 
1 1 1   25    9   44 o  172.868   6.4693   81.677   6.0431   0.0000   0.0000   81.677   6.0431  ?   ?   172.868   6.4693      ?      ? 
1 1 1   25    9   45 o  313.079   7.2546  268.989   12.273   0.0000   0.0000  268.989   12.273  ?   ?   313.079   7.2546      ?      ? 
1 1 1   25    9   46 o  105.565   6.6651   31.257   3.7404   28.614   5.6736   33.288   4.9745  101.287   10.366  109.844   8.3808 -8.557083 13.33022 
1 1 1   25    9   47 o   87.501   7.8097   21.305   3.6657   23.654   5.6136   19.558   4.8400   91.559   11.346   83.443   10.734 8.116470 15.61930 
1 1 1   25    9   48 o   38.075   10.074   1.2592   3.4930  -6.8086   5.3704   7.1749   4.5987   26.871   12.881   49.278   15.492 -22.40749 20.14757 
1 1 1   25    9   49 o  182.409   5.3431   92.182   5.2664   92.036   7.4163   92.331   7.4796  182.279   7.5295  182.538   7.5829 -0.2591095 10.68613 
1 1 1   25    9   50 o  133.505   6.4190   49.793   4.6296   51.211   6.6260   48.441   6.4712  135.370   9.0583  131.640   9.0972 3.729858 12.83793 
1 1 1   25    9   51 f  172.739   5.8360   82.953   5.4472   81.783   7.6668   84.146   7.7406  171.497   8.2731  173.981   8.2335 -2.483627 11.67199 
1 1 1   25    9   52 o   51.023   11.515   7.6346   4.2045   0.7199   6.0389   14.140   5.8574   36.573   16.016   65.473   16.548 -28.90033 23.02948 
1 1 1   25    9   53 o  129.242   6.9554   47.611   4.8556   45.879   6.7753   49.440   6.9622  126.790   9.8891  131.694   9.7834 -4.903458 13.91079 
1 1 1   25    9   54 o   89.930   9.0951   24.563   4.3801   21.337   6.2287   27.720   6.1607   83.305   13.837   96.554   11.808 -13.24982 18.19027 
1 1 1   25   10    0 o  478.973   10.018  622.030   25.911  604.505   36.962  638.964   36.333  472.305   14.483  485.642   13.845 -13.33752 20.03577 
1 1 1   25   10    2 o  522.520   7.2212  737.280   20.367  695.484   28.113  783.452   29.548  506.962   10.262  538.078   10.162 -31.11548 14.44239 
1 1 1   25   10    3 o  549.883   8.9026  817.487   24.996  823.423   43.167  814.493   30.658  551.164   14.494  548.601   10.342 2.562500 17.80529 
1 1 1   25   10    4 o  405.664   7.2905  446.974   15.295  439.865   25.559  450.940   19.091  403.040   11.736  408.289   8.6532 -5.249115 14.58108 
1 1 1   25   10    5 o  129.979   8.4871   45.411   5.9145   38.037   8.0228   54.189   8.7536  118.494   12.530  141.464   11.451 -22.96975 16.97411 
1 1 1   25   10    6 o  985.203   12.067  2628.84   64.111  2530.96   87.373  2743.02   94.362  965.481   16.747  1004.92   17.377 -39.44427 24.13365 
1 1 1   25   10    7 o  118.672   8.1574   38.496   5.1606   35.656   7.7984   40.709   6.8833  114.715   12.581  122.630   10.388 -7.915169 16.31475 
1 1 1   25   10    8 o   99.648   9.8359   28.202   4.9765   22.278   7.5250   32.807   6.6345   89.229   16.203  110.068   11.155 -20.83894 19.67179 
1 1 1   25   10    9 o  220.914   5.7781  130.928   6.8460  140.593   10.470  123.710   9.0481  227.966   8.4995  213.861   7.8296 14.10461 11.55611 
1 1 1   25   10   10 o  329.683   5.7304  294.183   10.195  290.715   14.760  297.346   14.098  327.812   8.3325  331.553   7.8689 -3.740784 11.46080 
1 1 1   25   10   11 o  540.456   7.2890  789.543   21.269  758.508   29.353  823.846   30.861  529.299   10.263  551.615   10.353 -22.31604 14.57792 
1 1 1   25   10   12 o  480.832   9.4113  625.869   24.453   0.0000   0.0000  625.869   24.453  ?   ?   480.832   9.4113      ?      ? 
1 1 1   25   10   13 o  412.491   8.6454  460.544   19.270   0.0000   0.0000  460.544   19.270  ?   ?   412.491   8.6454      ?      ? 
1 1 1   25   10   16 o  234.938   5.2264  149.330   6.6229  149.756   9.6691  148.952   9.0900  235.243   7.6064  234.632   7.1695 0.6114807 10.45274 
1 1 1   25   10   18 o  350.243   7.3606  331.993   13.931   0.0000   0.0000  331.993   13.931  ?   ?   350.243   7.3606      ?      ? 
1 1 1   25   10   19 o  331.284   7.1610  297.047   12.819   0.0000   0.0000  297.047   12.819  ?   ?   331.284   7.1610      ?      ? 
1 1 1   25   10   20 o  468.060   8.8674  593.694   22.428   0.0000   0.0000  593.694   22.428  ?   ?   468.060   8.8674      ?      ? 
1 1 1   25   10   21 o  385.588   8.3518  402.865   17.402   0.0000   0.0000  402.865   17.402  ?   ?   385.588   8.3518      ?      ? 
1 1 1   25   10   22 o  279.062   8.6223  211.101   13.002   0.0000   0.0000  211.101   13.002  ?   ?   279.062   8.6223      ?      ? 
1 1 1   25   10   25 o  302.436   8.5005  248.215   13.892   0.0000   0.0000  248.215   13.892  ?   ?   302.436   8.5005      ?      ? 
1 1 1   25   10   26 o  443.543   9.5156  534.619   22.807   0.0000   0.0000  534.619   22.807  ?   ?   443.543   9.5156      ?      ? 
1 1 1   25   10   27 o  167.785   10.272   76.586   9.3133   0.0000   0.0000   76.586   9.3133  ?   ?   167.785   10.272      ?      ? 
1 1 1   25   10   28 o  304.270   8.6201  251.481   14.173   0.0000   0.0000  251.481   14.173  ?   ?   304.270   8.6201      ?      ? 
1 1 1   25   10   29 o   62.004   20.783   10.223   8.2044   0.0000   0.0000   10.223   8.2044  ?   ?    62.004   20.783      ?      ? 
1 1 1   25   10   30 o   64.187   20.974   11.263   8.3715   0.0000   0.0000   11.263   8.3715  ?   ?    64.187   20.974      ?      ? 
1 1 1   25   10   31 o  133.283   12.697   48.745   9.1446   0.0000   0.0000   48.745   9.1446  ?   ?   133.283   12.697      ?      ? 
1 1 1   25   10   32 o   79.177   20.156   18.303   8.6462   0.0000   0.0000   18.303   8.6462  ?   ?    79.177   20.156      ?      ? 
1 1 1   25   10   33 o  139.348   12.497   53.401   9.4100   0.0000   0.0000   53.401   9.4100  ?   ?   139.348   12.497      ?      ? 
1 1 1   25   10   34 o  115.658   14.453   37.127   9.0330   0.0000   0.0000   37.127   9.0330  ?   ?   115.658   14.453      ?      ? 
1 1 1   25   10   35 o   94.678   17.854   26.019   8.7992   0.0000   0.0000   26.019   8.7992  ?   ?    94.678   17.854      ?      ? 
1 1 1   25   10   36 o  116.538   14.220   37.799   8.9546   0.0000   0.0000   37.799   8.9546  ?   ?   116.538   14.220      ?      ? 
1 1 1   25   10   37 o   39.663   18.019  -4.1472   8.4150   0.0000   0.0000  -4.1472   8.4150  ?   ?    39.663   18.019      ?      ? 
1 1 1   25   10   38 o   63.938   21.472   11.615   8.7572   0.0000   0.0000   11.615   8.7572  ?   ?    63.938   21.472      ?      ? 
1 1 1   25   10   39 o   77.393   20.276   18.110   8.5810   0.0000   0.0000   18.110   8.5810  ?   ?    77.393   20.276      ?      ? 
1 1 1   25   10   40 o  116.290   14.406   38.199   9.0524   0.0000   0.0000   38.199   9.0524  ?   ?   116.290   14.406      ?      ? 
1 1 1   25   10   41 o  184.743   8.1961   95.023   8.1409   95.023   10.984   95.023   12.126  185.020   10.986  184.465   12.166 0.5549927 16.39212 
1 1 1   25   10   42 o  104.370   10.397   37.337   3.7013   23.514   9.1825   40.019   4.0444   87.610   19.855  121.129   6.1789 -33.51865 20.79434 
1 1 1   25   10   43 o  112.351   6.0030   36.281   3.4547   28.964   5.4977   41.056   4.4412  102.176   9.9573  122.527   6.7078 -20.35127 12.00594 
1 1 1   25   10   44 o   81.939   7.5593   18.306   3.2297   20.443   5.4367   17.141   4.0150   85.254   11.801   78.624   9.4501 6.629822 15.11869 
1 1 1   25   10   45 o   95.155   7.0452   25.279   3.5265   24.749   5.6348   25.620   4.5215   94.006   11.093   96.303   8.6887 -2.297256 14.09036 
1 1 1   25   10   46 o  139.914   5.6778   54.487   4.2387   50.466   6.3743   57.674   5.6752  134.977   8.7394  144.851   7.2506 -9.873856 11.35554 
1 1 1   25   10   47 o   88.993   7.7972   22.074   3.7084   23.907   5.7658   20.781   4.8430   91.912   11.609   86.075   10.412 5.836594 15.59449 
1 1 1   25   10   48 o  103.264   7.3824   29.858   4.0660   31.762   6.3510   28.535   5.2930  105.729   11.116  100.799   9.7176 4.930252 14.76489 
1 1 1   25   10   49 f   84.825   9.6004   21.788   4.1533   17.451   6.2108   25.296   5.5860   75.314   15.767   94.337   10.958 -19.02274 19.20079 
1 1 1   25   10   50 f  100.953   8.2580   29.175   4.4844   27.102   6.4807   31.080   6.2117   97.190   12.340  104.717   10.978 -7.527092 16.51608 
1 1 1   25   10   51 o   95.884   8.8628   27.352   4.5067   22.432   6.5058   31.890   6.2488   86.595   13.903  105.174   10.995 -18.57869 17.72566 
1 1 1   25   10   52 o   48.278   12.550   7.0549   4.2998   6.9883   6.2105   7.1161   5.9590   48.231   17.898   48.325   17.599 -0.9383774E-01 25.10101 
1 1 1   25   10   53 o  129.362   7.0365   48.122   4.9175   47.057   6.9672   49.179   6.9415  127.829   10.087  130.895   9.8140 -3.065376 14.07307 
1 1 1   25   11    0 f  129.846   16.130   44.171   10.779   65.045   17.484   31.374   13.690  154.564   20.934  105.128   24.544 49.43591 32.25906 
1 1 1   25   11    1 o  532.302   10.717  764.292   30.738  705.405   41.656  834.685   45.545  509.927   15.118  554.677   15.195 -44.75079 21.43460 
1 1 1   25   11    2 o  243.409   7.9502  160.260   10.457   0.0000   0.0000  160.260   10.457  ?   ?   243.409   7.9502      ?      ? 
1 1 1   25   11    3 o  327.176   5.9252  289.852   10.452  285.261   15.230  293.939   14.371  324.710   8.6800  329.642   8.0678 -4.932556 11.85040 
1 1 1   25   11    4 o  552.700   8.8786  838.798   25.591  783.333   41.334  873.275   32.589  537.460   14.232  567.939   10.619 -30.47919 17.75723 
1 1 1   25   11    5 o  294.956   5.7759  235.542   9.1897  218.699   12.958  252.588   13.035  284.325   8.4338  305.586   7.8940 -21.26010 11.55179 
1 1 1   25   11    6 o  213.517   6.5272  122.026   7.4714  113.371   9.8442  133.784   11.474  204.696   8.8999  222.338   9.5505 -17.64133 13.05447 
1 1 1   25   11    7 o  247.817   7.9176  166.122   10.603   0.0000   0.0000  166.122   10.603  ?   ?   247.817   7.9176      ?      ? 
1 1 1   25   11    8 o   60.275   13.214   9.8735   4.8090   7.6036   7.2086   11.694   6.4555   55.927   19.461   64.624   17.881 -8.697201 26.42894 
1 1 1   25   11    9 f  260.483   5.6551  184.061   7.9382  171.598   11.362  195.946   11.095  251.830   8.3497  269.136   7.6291 -17.30640 11.31017 
1 1 1   25   11   10 o   88.261   10.096   21.616   4.6544   20.220   6.9552   22.748   6.2635   84.933   15.734   91.588   12.656 -6.654961 20.19231 
1 1 1   25   11   11 o  230.667   5.5880  143.890   6.9517  145.405   10.175  142.563   9.5199  231.795   8.1237  229.539   7.6752 2.256348 11.17598 
1 1 1   25   11   12 o  323.094   5.6743  282.951   9.8913  270.484   14.167  294.810   13.817  316.121   8.2933  330.067   7.7467 -13.94638 11.34853 
1 1 1   25   11   13 o  219.192   5.4550  130.378   6.4402  124.331   9.3541  135.829   8.8800  214.329   8.0767  224.055   7.3345 -9.725998 10.90999 
1 1 1   25   11   14 o  142.693   6.2827   55.081   4.8177   55.624   7.2175   54.644   6.4701  143.311   9.3201  142.075   8.4276 1.235962 12.56533 
1 1 1   25   11   16 o  201.537   7.3456  109.922   7.9996   0.0000   0.0000  109.922   7.9996  ?   ?   201.537   7.3456      ?      ? 
1 1 1   25   11   17 o  200.843   5.2850  109.109   5.7263  110.539   8.3656  107.849   7.8549  202.071   7.6614  199.616   7.2821 2.454987 10.57007 
1 1 1   25   11   18 o  104.490   6.4562   28.255   3.5569   38.649   5.7295   21.737   4.5371  119.428   8.8781   89.551   9.3760 29.87704 12.91241 
1 1 1   25   11   19 o  399.403   6.9064  431.832   14.906   0.0000   0.0000  431.832   14.906  ?   ?   399.403   6.9064      ?      ? 
1 1 1   25   11   20 o  358.939   6.8097  348.791   13.208   0.0000   0.0000  348.791   13.208  ?   ?   358.939   6.8097      ?      ? 
1 1 1   25   11   21 o  260.956   7.7278  184.495   10.897   0.0000   0.0000  184.495   10.897  ?   ?   260.956   7.7278      ?      ? 
1 1 1   25   11   22 o  332.009   7.8666  298.743   14.113   0.0000   0.0000  298.743   14.113  ?   ?   332.009   7.8666      ?      ? 
1 1 1   25   11   23 o   79.285   6.1886   17.020   2.6514   0.0000   0.0000   17.020   2.6514  ?   ?    79.285   6.1886      ?      ? 
1 1 1   25   11   24 o  255.079   7.0383  176.339   9.7012   0.0000   0.0000  176.339   9.7012  ?   ?   255.079   7.0383      ?      ? 
1 1 1   25   11   25 o  129.347   12.768   45.675   8.9243   0.0000   0.0000   45.675   8.9243  ?   ?   129.347   12.768      ?      ? 
1 1 1   25   11   26 o   42.250   18.618  -2.1234   8.2756   0.0000   0.0000  -2.1234   8.2756  ?   ?    42.250   18.618      ?      ? 
1 1 1   25   11   27 o   64.164   20.829   11.191   8.2614   0.0000   0.0000   11.191   8.2614  ?   ?    64.164   20.829      ?      ? 
1 1 1   25   11   29 o  140.790   11.914   54.256   9.0640   0.0000   0.0000   54.256   9.0640  ?   ?   140.790   11.914      ?      ? 
1 1 1   25   11   31 o   41.639   18.316  -1.7133   7.9762   0.0000   0.0000  -1.7133   7.9762  ?   ?    41.639   18.316      ?      ? 
1 1 1   25   11   32 o   39.953   18.131  -4.4117   8.4896   0.0000   0.0000  -4.4117   8.4896  ?   ?    39.953   18.131      ?      ? 
1 1 1   25   11   33 f  182.773   10.868   91.648   10.734   0.0000   0.0000   91.648   10.734  ?   ?   182.773   10.868      ?      ? 
1 1 1   25   11   34 o  160.961   11.320   71.249   9.8460   0.0000   0.0000   71.249   9.8460  ?   ?   160.961   11.320      ?      ? 
1 1 1   25   11   35 f  164.745   11.532   74.776   10.266   0.0000   0.0000   74.776   10.266  ?   ?   164.745   11.532      ?      ? 
1 1 1   25   11   36 o   94.592   18.805   26.348   9.2733   0.0000   0.0000   26.348   9.2733  ?   ?    94.592   18.805      ?      ? 
1 1 1   25   11   40 o  195.346   10.501  105.658   11.085   0.0000   0.0000  105.658   11.085  ?   ?   195.346   10.501      ?      ? 
1 1 1   25   11   41 o   79.774   10.324   20.009   3.1031   15.995   7.7168   20.783   3.3892   72.392   19.354   87.156   7.1964 -14.76407 20.64832 
1 1 1   25   11   42 o  188.223   6.1914   89.475   5.3234  113.649   11.603   83.030   5.9912  202.079   10.625  174.367   6.3586 27.71242 12.38276 
1 1 1   25   11   43 o  133.629   5.7407   50.949   3.9792   40.807   6.1530   58.240   5.2171  121.361   9.3826  145.897   6.6175 -24.53661 11.48145 
1 1 1   25   11   44 o   79.974   8.2509   17.430   3.4319   20.030   5.8406   16.058   4.2413   84.055   12.859   75.894   10.342 8.160858 16.50180 
1 1 1   25   11   45 o  139.635   7.3947   53.591   5.5796   0.0000   0.0000   53.591   5.5796  ?   ?   139.635   7.3947      ?      ? 
1 1 1   25   11   46 o   92.564   7.8683   24.027   3.8578   24.821   6.1254   23.505   4.9666   93.462   12.129   91.666   10.027 1.796211 15.73650 
1 1 1   25   11   47 o   87.609   8.4323   21.928   3.9336   21.565   6.0623   22.192   5.1696   86.567   12.960   88.651   10.792 -2.084328 16.86454 
1 1 1   25   11   48 o   46.454   11.888   6.0169   3.8466   5.0644   5.8562   6.7396   5.1013   44.987   17.227   47.921   16.387 -2.934025 23.77613 
1 1 1   25   11   49 o  191.267   7.8195  101.320   8.0818   0.0000   0.0000  101.320   8.0818  ?   ?   191.267   7.8195      ?      ? 
1 1 1   25   11   50 o   57.940   12.014   10.720   4.2959   5.7674   6.4170   14.742   5.7831   47.092   18.034   68.787   15.880 -21.69467 24.02887 
1 1 1   25   11   51 o  101.735   8.5955   31.018   4.6682   28.118   6.9040   33.460   6.3361   96.448   13.247  107.022   10.956 -10.57437 17.19092 
1 1 1   25   11   52 o   81.063   10.718   20.509   4.5654   18.143   6.5933   22.689   6.3277   74.973   16.702   87.152   13.436 -12.17949 21.43610 
1 1 1   25   11   53 o   44.020   12.227   5.2227   4.3124   7.3420   6.2036   3.2410   5.9989   48.028   17.875   40.013   16.687 8.014572 24.45369 
1 1 1   25   12    0 o  214.675   6.5578  124.723   7.5671  124.593   11.294  124.828   10.194  214.556   9.7410  214.794   8.7825 -0.2371979 13.11562 
1 1 1   25   12    1 f  606.627   11.712  999.142   38.382  968.018   53.933  1031.08   54.636  597.027   16.718  616.226   16.408 -19.19849 23.42415 
1 1 1   25   12    2 o  331.487   9.7573  297.202   17.319  303.378   26.452  292.568   22.912  334.420   14.638  328.554   12.905 5.865936 19.51469 
1 1 1   25   12    3 o  738.763   11.696  1492.89   43.864  1451.13   75.912  1513.83   53.745  730.268   19.237  747.257   13.310 -16.98907 23.39281 
1 1 1   25   12    4 o  936.842   16.302  2383.91   82.524   0.0000   0.0000  2383.91   82.524  ?   ?   936.842   16.302      ?      ? 
1 1 1   25   12    5 o  192.905   7.0828  101.016   7.1854   99.595   11.535  101.918   9.1849  191.745   11.133  194.064   8.7587 -2.319763 14.16564 
1 1 1   25   12    6 f  254.656   10.032  175.608   13.804   0.0000   0.0000  175.608   13.804  ?   ?   254.656   10.032      ?      ? 
1 1 1   25   12    7 o  369.332   6.9473  370.748   13.574  376.239   17.568  362.613   21.385  372.828   8.7200  365.836   10.818 6.992340 13.89450 
1 1 1   25   12    8 o  439.744   9.1119  523.557   21.652   0.0000   0.0000  523.557   21.652  ?   ?   439.744   9.1119      ?      ? 
1 1 1   25   12    9 o  238.359   5.9053  154.040   7.5879  149.462   11.022  158.166   10.462  234.969   8.6805  241.749   8.0088 -6.779861 11.81068 
1 1 1   25   12   10 o  111.213   11.170   33.528   6.7125   0.0000   0.0000   33.528   6.7125  ?   ?   111.213   11.170      ?      ? 
1 1 1   25   12   11 o  246.384   5.7012  164.534   7.5682  161.053   11.070  167.588   10.370  243.915   8.3991  248.852   7.7118 -4.937057 11.40246 
1 1 1   25   12   12 o  215.938   5.6389  126.473   6.5640  117.353   9.3366  135.386   9.2301  208.208   8.2986  223.667   7.6369 -15.45871 11.27778 
1 1 1   25   12   13 f  169.554   6.1160   77.825   5.5704   78.017   8.3479   77.671   7.4791  169.722   9.1023  169.385   8.1712 0.3373413 12.23195 
1 1 1   25   12   14 o  139.385   6.5469   51.448   4.8600   65.668   7.4747   41.034   6.3966  155.710   8.8836  123.061   9.6192 32.64891 13.09381 
1 1 1   25   12   15 o  198.932   5.5915  106.432   5.9840  114.615   8.9941   99.933   8.0154  205.737   8.0902  192.128   7.7206 13.60954 11.18292 
1 1 1   25   12   16 f  486.104   9.6384  640.623   25.318   0.0000   0.0000  640.623   25.318  ?   ?   486.104   9.6384      ?      ? 
1 1 1   25   12   17 o   35.089   10.570  -0.0334   3.5223  -0.1127   4.9531   0.0478   5.0100   34.852   14.878   35.327   15.019 -0.4754982 21.14096 
1 1 1   25   12   18 o  439.213   7.2844  519.465   16.340  536.036   28.364  511.234   19.990  444.102   11.819  434.323   8.5176 9.779419 14.56873 
1 1 1   25   12   19 o  167.691   6.5723   76.125   5.9555   0.0000   0.0000   76.125   5.9555  ?   ?   167.691   6.5723      ?      ? 
1 1 1   25   12   20 o  549.749   10.149  820.629   30.150   0.0000   0.0000  820.629   30.150  ?   ?   549.749   10.149      ?      ? 
1 1 1   25   12   21 o  153.369   5.7423   63.664   4.7590   0.0000   0.0000   63.664   4.7590  ?   ?   153.369   5.7423      ?      ? 
1 1 1   25   12   22 o  225.081   6.5308  137.227   7.9432   0.0000   0.0000  137.227   7.9432  ?   ?   225.081   6.5308      ?      ? 
1 1 1   25   12   23 o  236.545   5.9773  151.522   7.6402   0.0000   0.0000  151.522   7.6402  ?   ?   236.545   5.9773      ?      ? 
1 1 1   25   12   24 o  134.158   5.2278   48.714   3.7899   0.0000   0.0000   48.714   3.7899  ?   ?   134.158   5.2278      ?      ? 
1 1 1   25   12   25 o  337.615   5.3482  308.571   9.7570   0.0000   0.0000  308.571   9.7570  ?   ?   337.615   5.3482      ?      ? 
1 1 1   25   12   26 f  262.144   4.7990  185.997   6.7980   0.0000   0.0000  185.997   6.7980  ?   ?   262.144   4.7990      ?      ? 
1 1 1   25   12   27 o  206.628   5.6994  115.679   6.3637   0.0000   0.0000  115.679   6.3637  ?   ?   206.628   5.6994      ?      ? 
1 1 1   25   12   28 o  219.944   9.5711  131.823   11.375   0.0000   0.0000  131.823   11.375  ?   ?   219.944   9.5711      ?      ? 
1 1 1   25   12   30 o   54.019   20.693   5.9359   8.4512   0.0000   0.0000   5.9359   8.4512  ?   ?    54.019   20.693      ?      ? 
1 1 1   25   12   31 o   88.882   19.500   23.083   9.1085   0.0000   0.0000   23.083   9.1085  ?   ?    88.882   19.500      ?      ? 
1 1 1   25   12   32 o   95.104   18.295   26.270   9.0608   0.0000   0.0000   26.270   9.0608  ?   ?    95.104   18.295      ?      ? 
1 1 1   25   12   34 o  126.391   14.462   44.505   9.8772   0.0000   0.0000   44.505   9.8772  ?   ?   126.391   14.462      ?      ? 
1 1 1   25   12   35 o   46.533   20.019   0.3565   9.0928   0.0000   0.0000   0.3565   9.0928  ?   ?    46.533   20.019      ?      ? 
1 1 1   25   12   36 o  167.091   12.065   77.452   10.893   0.0000   0.0000   77.452   10.893  ?   ?   167.091   12.065      ?      ? 
1 1 1   25   12   37 o  101.233   18.211   30.188   9.5959   0.0000   0.0000   30.188   9.5959  ?   ?   101.233   18.211      ?      ? 
1 1 1   25   12   39 f  129.904   6.0983   45.974   4.2807   0.0000   0.0000   45.974   4.2807  ?   ?   129.904   6.0983      ?      ? 
1 1 1   25   12   40 o   31.025   10.427   2.5197   2.0650   0.0000   0.0000   2.5197   2.0650  ?   ?    31.025   10.427      ?      ? 
1 1 1   25   12   41 o  136.234   6.5802   50.719   4.8441   0.0000   0.0000   50.719   4.8441  ?   ?   136.234   6.5802      ?      ? 
1 1 1   25   12   42 o   53.559   11.025   8.3837   2.4105   5.2568   8.5405   8.6544   2.5126   51.070   20.430   56.047   8.2964 -4.977131 22.05005 
1 1 1   25   12   43 o   46.343   11.678   5.9070   3.4449   1.2939   7.9359   6.9781   3.8240   43.947   18.799   48.739   13.861 -4.792271 23.35633 
1 1 1   25   12   44 o   42.925   11.226   4.4594   3.3057   4.6153   5.7665   4.3831   4.0344   44.806   17.110   41.044   14.538 3.762119 22.45236 
1 1 1   25   12   45 o   83.850   8.6405   19.685   3.7683   21.123   6.3229   18.893   4.6928   85.670   13.658   82.031   10.587 3.639565 17.28099 
1 1 1   25   12   46 o   70.638   10.288   16.666   3.8462   7.5307   6.0771   22.771   4.9678   51.195   17.866   90.081   10.206 -38.88548 20.57534 
1 1 1   25   12   47 o   37.580   10.881   1.5559   3.8112  -3.7616   6.1596   4.8545   4.8513   32.214   14.919   42.946   15.842 -10.73254 21.76155 
1 1 1   25   12   48 o  112.238   7.7436   36.416   4.5929   29.893   6.7618   42.004   6.2582  102.045   12.263  122.430   9.4596 -20.38467 15.48719 
1 1 1   25   12   49 o   38.525   10.968  -1.6245   4.1766   7.8572   6.2152  -9.4319   5.6398   51.569   18.064   25.482   12.445 26.08710 21.93570 
1 1 1   25   12   50 o   36.035   11.102   0.3113   4.2098  -3.2320   6.2835   3.1971   5.6706   32.303   14.999   39.768   16.371 -7.465206 22.20315 
1 1 1   25   12   51 o  142.646   9.0737   57.583   6.9941   0.0000   0.0000   57.583   6.9941  ?   ?   142.646   9.0737      ?      ? 
1 1 1   25   12   52 o   33.478   10.778  -2.7123   4.2863   2.0290   6.6859  -6.0207   5.5850   39.548   17.090   27.407   13.138 12.14098 21.55590 
1 1 1   25   13    0 o  359.645   6.1820  350.540   11.991  341.887   17.380  358.399   16.564  355.381   9.0506  363.909   8.4234 -8.527344 12.36399 
1 1 1   25   13    1 o  148.405   12.123   59.715   9.7214   59.715   9.7214   0.0000   0.0000  148.405   12.123  ?   ?       ?      ? 
1 1 1   25   13    2 o  327.561   9.8620  292.880   17.302  277.703   25.860  305.180   23.280  319.718   14.969  335.405   12.845 -15.68689 19.72405 
1 1 1   25   13    3 o  365.416   9.8937  364.679   19.420  332.883   28.171  393.468   26.806  350.031   14.894  380.802   13.027 -30.77130 19.78741 
1 1 1   25   13    4 o  225.737   11.428  135.143   13.619  154.527   22.268  123.559   17.215  238.236   17.297  213.238   14.940 24.99860 22.85601 
1 1 1   25   13    5 o  213.427   6.7819  122.443   7.6405  127.613   12.303  119.197   9.7483  217.017   10.491  209.838   8.5972 7.178802 13.56374 
1 1 1   25   13    6 f  384.729   7.1965  400.273   14.435  403.829   23.825  398.210   18.144  385.940   11.424  383.519   8.7549 2.421173 14.39295 
1 1 1   25   13    7 o  642.728   16.288  1124.10   56.569   0.0000   0.0000  1124.10   56.569  ?   ?   642.728   16.288      ?      ? 
1 1 1   25   13    8 o  443.744   7.7219  534.246   17.952  535.763   22.773  531.757   29.176  444.756   9.4756  442.732   12.195 2.023895 15.44378 
1 1 1   25   13    9 o  407.520   8.8908  449.702   19.578   0.0000   0.0000  449.702   19.578  ?   ?   407.520   8.8908      ?      ? 
1 1 1   25   13   10 o  311.223   5.8304  262.399   9.7966  250.417   13.881  274.291   13.829  304.124   8.4464  318.322   8.0394 -14.19830 11.66073 
1 1 1   25   13   12 o   51.568   12.857   6.3286   4.4853   5.0730   6.5020   7.4687   6.1955   49.209   18.303   53.926   18.060 -4.717056 25.71343 
1 1 1   25   13   13 o   67.851   12.128   12.900   4.4977   16.312   6.5756   9.9006   6.1655   75.894   16.504   59.808   17.775 16.08629 24.25596 
1 1 1   25   13   14 o  124.302   7.3903   41.801   4.9567   44.229   7.2516   39.672   6.7906  127.677   10.511  120.927   10.392 6.750069 14.78067 
1 1 1   25   13   16 o  258.016   7.7755  180.333   10.841   0.0000   0.0000  180.333   10.841  ?   ?   258.016   7.7755      ?      ? 
1 1 1   25   13   18 o  593.538   10.839  957.215   34.762   0.0000   0.0000  957.215   34.762  ?   ?   593.538   10.839      ?      ? 
1 1 1   25   13   19 o  427.095   9.3623  495.110   21.607   0.0000   0.0000  495.110   21.607  ?   ?   427.095   9.3623      ?      ? 
1 1 1   25   13   20 o  246.110   5.4670  163.936   7.2705   0.0000   0.0000  163.936   7.2705  ?   ?   246.110   5.4670      ?      ? 
1 1 1   25   13   21 o  262.576   6.3887  186.763   9.0648   0.0000   0.0000  186.763   9.0648  ?   ?   262.576   6.3887      ?      ? 
1 1 1   25   13   22 o  200.053   6.5012  108.424   7.0280   0.0000   0.0000  108.424   7.0280  ?   ?   200.053   6.5012      ?      ? 
1 1 1   25   13   23 o  234.014   5.2278  148.227   6.6107   0.0000   0.0000  148.227   6.6107  ?   ?   234.014   5.2278      ?      ? 
1 1 1   25   13   24 o   77.566   8.7625   16.347   3.6727   0.0000   0.0000   16.347   3.6727  ?   ?    77.566   8.7625      ?      ? 
1 1 1   25   13   25 o   90.108   7.3559   22.035   3.5817   0.0000   0.0000   22.035   3.5817  ?   ?    90.108   7.3559      ?      ? 
1 1 1   25   13   26 o  140.395   5.4179   53.396   4.1102   0.0000   0.0000   53.396   4.1102  ?   ?   140.395   5.4179      ?      ? 
1 1 1   25   13   27 o  127.442   5.3391   44.001   3.6768   0.0000   0.0000   44.001   3.6768  ?   ?   127.442   5.3391      ?      ? 
1 1 1   25   13   28 o  108.763   5.4271   32.056   3.1896   0.0000   0.0000   32.056   3.1896  ?   ?   108.763   5.4271      ?      ? 
1 1 1   25   13   29 o  144.973   4.7192   56.921   3.6969   0.0000   0.0000   56.921   3.6969  ?   ?   144.973   4.7192      ?      ? 
1 1 1   25   13   30 o  187.839   4.6383   95.581   4.7080   0.0000   0.0000   95.581   4.7080  ?   ?   187.839   4.6383      ?      ? 
1 1 1   25   13   31 o   52.184   8.0296   7.4213   2.2642   0.0000   0.0000   7.4213   2.2642  ?   ?    52.184   8.0296      ?      ? 
1 1 1   25   13   32 o  231.628   4.8749  145.445   6.1017   0.0000   0.0000  145.445   6.1017  ?   ?   231.628   4.8749      ?      ? 
1 1 1   25   13   33 o   86.494   5.4428   20.304   2.5439   0.0000   0.0000   20.304   2.5439  ?   ?    86.494   5.4428      ?      ? 
1 1 1   25   13   34 o  214.078   4.6471  124.275   5.3758   0.0000   0.0000  124.275   5.3758  ?   ?   214.078   4.6471      ?      ? 
1 1 1   25   13   35 o   72.602   6.0224   14.337   2.3627   0.0000   0.0000   14.337   2.3627  ?   ?    72.602   6.0224      ?      ? 
1 1 1   25   13   36 o   36.011   10.229   3.6677   2.0837   0.0000   0.0000   3.6677   2.0837  ?   ?    36.011   10.229      ?      ? 
1 1 1   25   13   37 o  123.941   4.8396   41.715   3.2413   0.0000   0.0000   41.715   3.2413  ?   ?   123.941   4.8396      ?      ? 
1 1 1   25   13   38 o   75.827   6.1220   15.666   2.5085   0.0000   0.0000   15.666   2.5085  ?   ?    75.827   6.1220      ?      ? 
1 1 1   25   13   39 o   97.219   5.4287   25.719   2.8519   0.0000   0.0000   25.719   2.8519  ?   ?    97.219   5.4287      ?      ? 
1 1 1   25   13   40 o  168.825   4.7807   77.472   4.3613   0.0000   0.0000   77.472   4.3613  ?   ?   168.825   4.7807      ?      ? 
1 1 1   25   13   41 o   94.046   5.8695   24.132   2.9828   0.0000   0.0000   24.132   2.9828  ?   ?    94.046   5.8695      ?      ? 
1 1 1   25   13   42 f  110.783   8.5150   34.316   3.1680   34.910   9.5273   34.242   3.3591  109.503   16.101  112.063   5.5472 -2.560387 17.02995 
1 1 1   25   13   43 o   61.985   11.154   11.456   2.6039   10.086   8.3323   11.604   2.7412   59.038   20.895   64.933   7.8124 -5.895298 22.30730 
1 1 1   25   13   44 o   53.870   13.341   5.9347   3.7709   14.171   9.4389   4.3705   4.1134   66.756   22.292   40.984   14.662 25.77174 26.68188 
1 1 1   25   13   45 o   39.993   11.152   3.1917   3.5877   0.2984   6.1306   4.6987   4.4245   37.683   16.324   42.304   15.199 -4.620708 22.30400 
1 1 1   25   13   46 o   59.663   11.974   10.634   3.9415   13.930   6.5390   8.7534   4.9397   66.030   17.884   53.295   15.927 12.73523 23.94823 
1 1 1   25   13   47 o   44.463   12.003   4.1603   4.0505   7.7796   6.3518   1.6798   5.2584   51.593   18.245   37.334   15.601 14.25823 24.00553 
1 1 1   25   13   48 o  116.447   7.6020   38.453   4.7519   37.921   7.1035   38.885   6.3929  115.387   11.393  117.506   10.068 -2.119362 15.20392 
1 1 1   25   13   49 o  101.083   11.270   29.815   6.1560   0.0000   0.0000   29.815   6.1560  ?   ?   101.083   11.270      ?      ? 
1 1 1   25   13   50 o   55.926   11.706   10.299   4.2927   3.4867   6.6148   15.256   5.6421   42.450   17.598   69.403   15.443 -26.95356 23.41261 
1 1 1   25   13   51 o   38.008   11.375   1.8158   4.1971  -2.0140   6.6105   4.4022   5.4325   34.420   15.764   41.595   16.404 -7.174957 22.75071 
1 1 1   25   14    0 o   90.707   12.721   23.242   5.9979   22.582   8.8255   23.809   8.1764   89.341   18.872   92.073   17.062 -2.731873 25.44194 
1 1 1   25   14    1 o   67.987   14.308   11.951   5.8913   18.570   8.8078   6.5925   7.9250   80.888   20.209   55.086   20.260 25.80171 28.61559 
1 1 1   25   14    2 o  258.472   8.4703  180.859   11.830   0.0000   0.0000  180.859   11.830  ?   ?   258.472   8.4703      ?      ? 
1 1 1   25   14    3 o  184.980   7.2285   93.014   7.2014   85.799   10.304   99.904   10.069  177.919   10.717  192.041   9.7030 -14.12257 14.45698 
1 1 1   25   14    4 o  176.439   13.941   85.710   12.948   81.869   20.538   88.243   16.681  172.900   21.982  179.978   17.152 -7.078049 27.88223 
1 1 1   25   14    5 o  161.591   15.635   73.140   13.128   65.068   21.038   78.288   16.801  153.776   25.317  169.405   18.354 -15.62923 31.27030 
1 1 1   25   14    6 o  292.331   8.4685  231.381   13.377   0.0000   0.0000  231.381   13.377  ?   ?   292.331   8.4685      ?      ? 
1 1 1   25   14    7 o  167.323   10.271   75.886   9.2869   75.886   9.2869   0.0000   0.0000  167.323   10.271  ?   ?       ?      ? 
1 1 1   25   14    8 o  352.477   10.869  336.937   20.702   0.0000   0.0000  336.937   20.702  ?   ?   352.477   10.869      ?      ? 
1 1 1   25   14    9 o  110.756   9.0523   33.354   5.4057   36.137   7.6837   30.628   7.6065  115.356   12.327  106.157   13.260 9.198730 18.10466 
1 1 1   25   14   10 o  414.017   6.4204  464.525   14.363  459.576   20.357  469.431   20.267  411.812   9.1480  416.222   9.0113 -4.410156 12.84088 
1 1 1   25   14   11 f  246.423   5.9167  164.645   7.8716  159.623   11.253  169.457   11.015  242.724   8.5798  250.123   8.1496 -7.399139 11.83338 
1 1 1   25   14   12 o  358.541   6.0381  348.365   11.695  337.465   16.490  359.394   16.588  352.885   8.6478  364.197   8.4290 -11.31235 12.07610 
1 1 1   25   14   13 o  252.395   7.9906  172.577   10.898   0.0000   0.0000  172.577   10.898  ?   ?   252.395   7.9906      ?      ? 
1 1 1   25   14   15 o  274.502   8.0875  204.206   11.996   0.0000   0.0000  204.206   11.996  ?   ?   274.502   8.0875      ?      ? 
1 1 1   25   14   16 o  277.037   8.1072  208.038   12.137   0.0000   0.0000  208.038   12.137  ?   ?   277.037   8.1072      ?      ? 
1 1 1   25   14   17 o  207.732   5.9876  113.743   6.6238  138.986   10.485   96.978   8.5447  226.363   8.5721  189.102   8.3620 37.26038 11.97513 
1 1 1   25   14   18 o   72.829   13.372   14.926   5.0685   0.0000   0.0000   14.926   5.0685  ?   ?    72.829   13.372      ?      ? 
1 1 1   25   14   19 o  123.325   8.7431   41.291   5.8264   0.0000   0.0000   41.291   5.8264  ?   ?   123.325   8.7431      ?      ? 
1 1 1   25   14   20 o  119.703   7.8214   38.866   5.0592   0.0000   0.0000   38.866   5.0592  ?   ?   119.703   7.8214      ?      ? 
1 1 1   25   14   21 o  278.944   5.5730  210.659   8.4003   0.0000   0.0000  210.659   8.4003  ?   ?   278.944   5.5730      ?      ? 
1 1 1   25   14   22 o  217.469   5.5130  128.056   6.4785   0.0000   0.0000  128.056   6.4785  ?   ?   217.469   5.5130      ?      ? 
1 1 1   25   14   23 o  135.734   6.5714   49.948   4.8198   0.0000   0.0000   49.948   4.8198  ?   ?   135.734   6.5714      ?      ? 
1 1 1   25   14   24 o   94.629   8.2787   24.340   4.2333   0.0000   0.0000   24.340   4.2333  ?   ?    94.629   8.2787      ?      ? 
1 1 1   25   14   25 o  181.725   6.9182   89.626   6.7935   0.0000   0.0000   89.626   6.7935  ?   ?   181.725   6.9182      ?      ? 
1 1 1   25   14   26 o   62.023   11.101   10.827   3.5838   0.0000   0.0000   10.827   3.5838  ?   ?    62.023   11.101      ?      ? 
1 1 1   25   14   27 o   63.641   10.091   11.058   3.4704   0.0000   0.0000   11.058   3.4704  ?   ?    63.641   10.091      ?      ? 
1 1 1   25   14   28 o   33.576   12.764   2.2122   3.1998   0.0000   0.0000   2.2122   3.1998  ?   ?    33.576   12.764      ?      ? 
1 1 1   25   14   29 o  129.225   5.5536   45.297   3.8780   0.0000   0.0000   45.297   3.8780  ?   ?   129.225   5.5536      ?      ? 
1 1 1   25   14   30 o   68.181   8.0969   12.673   2.9831   0.0000   0.0000   12.673   2.9831  ?   ?    68.181   8.0969      ?      ? 
1 1 1   25   14   31 o   35.557   11.902   3.2951   2.6909   0.0000   0.0000   3.2951   2.6909  ?   ?    35.557   11.902      ?      ? 
1 1 1   25   14   32 o   74.631   7.0330   15.164   2.8363   0.0000   0.0000   15.164   2.8363  ?   ?    74.631   7.0330      ?      ? 
1 1 1   25   14   33 o  125.659   5.1887   42.863   3.5232   0.0000   0.0000   42.863   3.5232  ?   ?   125.659   5.1887      ?      ? 
1 1 1   25   14   34 o   82.124   6.5335   18.367   2.8994   0.0000   0.0000   18.367   2.8994  ?   ?    82.124   6.5335      ?      ? 
1 1 1   25   14   35 o   94.775   5.9387   24.439   3.0414   0.0000   0.0000   24.439   3.0414  ?   ?    94.775   5.9387      ?      ? 
1 1 1   25   14   36 o   38.499   11.422   4.1854   2.5472   0.0000   0.0000   4.1854   2.5472  ?   ?    38.499   11.422      ?      ? 
1 1 1   25   14   37 o  174.775   4.8286   82.966   4.5603   0.0000   0.0000   82.966   4.5603  ?   ?   174.775   4.8286      ?      ? 
1 1 1   25   14   38 o  202.017   4.9130  110.918   5.3632   0.0000   0.0000  110.918   5.3632  ?   ?   202.017   4.9130      ?      ? 
1 1 1   25   14   39 o  181.948   4.9195   90.019   4.8368   0.0000   0.0000   90.019   4.8368  ?   ?   181.948   4.9195      ?      ? 
1 1 1   25   14   40 o   73.218   7.2122   14.700   2.8535   0.0000   0.0000   14.700   2.8535  ?   ?    73.218   7.2122      ?      ? 
1 1 1   25   14   41 o  173.446   6.7400   82.385   6.3170   0.0000   0.0000   82.385   6.3170  ?   ?   173.446   6.7400      ?      ? 
1 1 1   25   14   42 o   40.351   12.295  -0.5264   2.4975   8.7432   9.9448  -1.1504   2.5802   58.227   22.413   22.475   10.116 35.75269 24.58998 
1 1 1   25   14   43 o  118.824   8.1314   38.089   3.3825   42.365   9.9181   37.526   3.5982  120.451   15.238  117.196   5.6818 3.255768 16.26282 
1 1 1   25   14   44 o  115.795   9.4867   37.727   4.6630   40.000   10.674   37.191   5.1839  115.700   17.072  115.890   8.2779 -0.1896057 18.97345 
1 1 1   25   14   45 o  183.193   7.0656   92.682   6.9943   0.0000   0.0000   92.682   6.9943  ?   ?   183.193   7.0656      ?      ? 
1 1 1   25   14   46 o  120.341   7.3276   42.061   4.5594   36.047   7.2641   45.971   5.8567  112.156   11.986  128.526   8.4329 -16.37003 14.65528 
1 1 1   25   14   47 o   80.304   9.2814   15.940   4.4010   45.126   7.3122  -0.6378   5.5110  126.278   10.716   34.329   15.157 91.94910 18.56281 
1 1 1   25   14   48 o   40.168   11.835   2.8697   4.2392   1.4222   6.8212   3.7806   5.4110   39.611   17.189   40.725   16.272 -1.113667 23.66943 
1 1 1   25   14   49 o   36.481   11.377   0.2477   4.2929   0.1665   6.8661   0.2999   5.5006   38.049   16.853   34.913   15.288 3.135853 22.75385 
1 1 1   25   14   50 o   70.412   12.370   19.561   5.1887   6.3514   10.147   24.238   6.0379   50.527   21.423   90.296   12.375 -39.76914 24.74042 
1 1 1   25   15    0 o  421.319   9.2509  480.874   21.061   0.0000   0.0000  480.874   21.061  ?   ?   421.319   9.2509      ?      ? 
1 1 1   25   15    1 o  141.313   8.7133   53.796   6.5651   67.242   9.7342   42.576   8.8917  157.435   11.442  125.192   13.144 32.24286 17.42657 
1 1 1   25   15    2 o  136.260   8.7342   50.263   6.4213   53.270   9.3968   47.628   8.7951  140.069   12.415  132.451   12.289 7.618103 17.46836 
1 1 1   25   15    4 o  214.473   6.6548  124.550   7.6998  126.431   11.252  122.894   10.559  215.979   9.6415  212.968   9.1753 3.010712 13.30959 
1 1 1   25   15    5 o  560.756   9.7560  832.597   26.986  801.473   31.894  911.036   50.631  543.513   10.859  577.999   16.211 -34.48547 19.51192 
1 1 1   25   15    6 o  321.188   10.917  284.206   18.690  233.559   26.666  333.108   26.203  292.485   16.872  349.891   13.859 -57.40585 21.83396 
1 1 1   25   15    7 o  194.466   17.849  103.423   18.756   0.0000   0.0000  103.423   18.756  ?   ?   194.466   17.849      ?      ? 
1 1 1   25   15    8 o  112.823   16.761   51.671   8.5400   5.5901   21.064   60.736   9.3423   76.113   31.465  149.533   11.562 -73.41982 33.52243 
1 1 1   25   15    9 o  244.570   6.8080  162.100   8.8691  161.464   11.595  162.995   13.769  244.070   8.7917  245.069   10.397 -0.9988403 13.61609 
1 1 1   25   15   10 o  140.646   7.5871   53.708   5.7660   53.930   8.1951   53.490   8.1143  140.932   10.761  140.361   10.698 0.5718079 15.17416 
1 1 1   25   15   11 o  200.987   9.0910  109.545   9.8734   0.0000   0.0000  109.545   9.8734  ?   ?   200.987   9.0910      ?      ? 
1 1 1   25   15   12 o  175.392   9.4136   83.457   8.9218   83.457   8.9218   0.0000   0.0000  175.392   9.4136  ?   ?       ?      ? 
1 1 1   25   15   13 f  502.808   10.063  686.451   27.341   0.0000   0.0000  686.451   27.341  ?   ?   502.808   10.063      ?      ? 
1 1 1   25   15   14 o  112.243   8.5708   34.399   5.1764   30.817   7.3273   37.967   7.3137  106.347   12.751  118.138   11.457 -11.79098 17.14158 
1 1 1   25   15   15 o  267.588   8.1937  194.197   11.848   0.0000   0.0000  194.197   11.848  ?   ?   267.588   8.1937      ?      ? 
1 1 1   25   15   16 o  123.000   7.6574   41.022   5.0771   39.132   6.8933   43.262   7.5060  119.930   10.637  126.069   11.018 -6.138695 15.31482 
1 1 1   25   15   17 o  371.639   6.4364  374.234   11.888  377.477   21.603  372.826   14.238  372.408   10.735  370.871   7.1044 1.536987 12.87289 
1 1 1   25   15   18 o   67.339   14.253   12.869   5.0245   0.0000   0.0000   12.869   5.0245  ?   ?    67.339   14.253      ?      ? 
1 1 1   25   15   19 o   76.276   12.035   15.871   4.9606   0.0000   0.0000   15.871   4.9606  ?   ?    76.276   12.035      ?      ? 
1 1 1   25   15   20 o   69.987   15.090   13.952   5.5389   0.0000   0.0000   13.952   5.5389  ?   ?    69.987   15.090      ?      ? 
1 1 1   25   15   21 o   99.412   9.2083   26.881   4.9466   0.0000   0.0000   26.881   4.9466  ?   ?    99.412   9.2083      ?      ? 
1 1 1   25   15   22 o   88.471   9.8492   21.326   4.7086   0.0000   0.0000   21.326   4.7086  ?   ?    88.471   9.8492      ?      ? 
1 1 1   25   15   23 o  188.094   5.9983   95.910   6.0967   0.0000   0.0000   95.910   6.0967  ?   ?   188.094   5.9983      ?      ? 
1 1 1   25   15   24 o  258.620   5.5132  181.243   7.7047   0.0000   0.0000  181.243   7.7047  ?   ?   258.620   5.5132      ?      ? 
1 1 1   25   15   25 o  192.838   6.4310  100.895   6.7013   0.0000   0.0000  100.895   6.7013  ?   ?   192.838   6.4310      ?      ? 
1 1 1   25   15   26 o   84.584   9.1517   19.508   4.1829   0.0000   0.0000   19.508   4.1829  ?   ?    84.584   9.1517      ?      ? 
1 1 1   25   15   27 o  204.527   5.3790  113.423   5.9448   0.0000   0.0000  113.423   5.9448  ?   ?   204.527   5.3790      ?      ? 
1 1 1   25   15   28 o  140.227   5.9842   53.383   4.5345   0.0000   0.0000   53.383   4.5345  ?   ?   140.227   5.9842      ?      ? 
1 1 1   25   15   29 o   41.000   13.429   4.4974   3.4313   0.0000   0.0000   4.4974   3.4313  ?   ?    41.000   13.429      ?      ? 
1 1 1   25   15   30 o  165.555   5.3241   74.365   4.7629   0.0000   0.0000   74.365   4.7629  ?   ?   165.555   5.3241      ?      ? 
1 1 1   25   15   31 o   91.658   7.2838   22.896   3.6076   0.0000   0.0000   22.896   3.6076  ?   ?    91.658   7.2838      ?      ? 
1 1 1   25   15   32 o  158.030   5.2552   67.812   4.4876   0.0000   0.0000   67.812   4.4876  ?   ?   158.030   5.2552      ?      ? 
1 1 1   25   15   33 o  149.762   5.2625   60.915   4.2588   0.0000   0.0000   60.915   4.2588  ?   ?   149.762   5.2625      ?      ? 
1 1 1   25   15   34 o  146.941   5.2366   58.668   4.1580   0.0000   0.0000   58.668   4.1580  ?   ?   146.941   5.2366      ?      ? 
1 1 1   25   15   35 o  108.401   5.9933   32.002   3.5107   0.0000   0.0000   32.002   3.5107  ?   ?   108.401   5.9933      ?      ? 
1 1 1   25   15   36 o   24.906   10.918  -0.5644   2.8122   0.0000   0.0000  -0.5644   2.8122  ?   ?    24.906   10.918      ?      ? 
1 1 1   25   15   37 o  181.828   5.1030   89.909   5.0139   0.0000   0.0000   89.909   5.0139  ?   ?   181.828   5.1030      ?      ? 
1 1 1   25   15   38 o  263.497   5.3629  189.045   7.6360   0.0000   0.0000  189.045   7.6360  ?   ?   263.497   5.3629      ?      ? 
1 1 1   25   15   39 o   71.171   8.1070   13.947   3.1178   0.0000   0.0000   13.947   3.1178  ?   ?    71.171   8.1070      ?      ? 
1 1 1   25   15   40 f  123.308   5.6991   41.479   3.7974   0.0000   0.0000   41.479   3.7974  ?   ?   123.308   5.6991      ?      ? 
1 1 1   25   15   41 o   70.698   8.0695   13.778   3.0828   0.0000   0.0000   13.778   3.0828  ?   ?    70.698   8.0695      ?      ? 
1 1 1   25   15   42 o  175.799   5.0640   84.249   4.8106   0.0000   0.0000   84.249   4.8106  ?   ?   175.799   5.0640      ?      ? 
1 1 1   25   15   43 o  157.231   6.9315   65.230   4.1480   74.932   11.155   63.674   4.4685  161.768   12.761  152.695   5.4156 9.073273 13.86291 
1 1 1   25   15   44 o   64.762   12.170   13.315   3.1839   11.014   10.041   13.572   3.3571   59.874   22.647   69.650   8.9198 -9.776073 24.33998 
1 1 1   25   15   45 o   71.860   13.861   12.330   4.6000   26.937   10.881   9.1516   5.0760   89.180   22.562   54.540   16.109 34.63958 27.72256 
1 1 1   25   15   46 o   85.620   11.623   15.660   4.7951   42.297   10.288   8.2678   5.4197  118.985   16.002   52.255   16.861 66.73000 23.24578 
1 1 1   25   15   47 o   70.226   11.533   20.188   5.1506  -0.1337   10.290   26.982   5.9496   44.229   20.027   96.222   11.443 -51.99245 23.06524 
1 1 1   25   15   48 o   52.432   12.129   9.1222   4.9899  -6.8356   10.054   14.338   5.7478   38.198   18.118   66.665   16.130 -28.46708 24.25788 
1 1 1   25   15   49 o   38.865   12.135   0.5936   5.0389 -10.5315   10.596   3.8446   5.7280   36.560   17.669   41.170   16.638 -4.610554 24.26978 
1 1 1   25   16    0 o  128.156   9.4980   45.163   6.5070   39.572   9.4950   50.114   8.9352  120.517   14.580  135.794   12.177 -15.27704 18.99609 
1 1 1   25   16    1 o  147.477   8.5624   59.166   6.8166   56.800   9.7141   61.462   9.5679  144.546   12.437  150.409   11.772 -5.863098 17.12480 
1 1 1   25   16    2 o  146.667   8.3001   58.442   6.5779   57.682   9.2635   59.215   9.3420  145.704   11.766  147.631   11.711 -1.927231 16.60017 
1 1 1   25   16    3 o  205.408   6.9927  114.157   7.7499  123.023   11.269  106.201   10.675  212.964   9.7924  197.852   9.9849 15.11131 13.98539 
1 1 1   25   16    4 o  212.248   6.9006  122.148   7.9044  123.267   11.495  121.144   10.886  213.150   9.9805  211.346   9.5324 1.804611 13.80130 
1 1 1   25   16    5 o  217.228   6.6835  127.935   7.8402  129.294   11.318  126.681   10.871  218.324   9.5935  216.132   9.3080 2.192368 13.36694 
1 1 1   25   16    6 o  237.602   6.4316  152.874   8.2451  156.750   12.055  149.468   11.302  240.410   9.2796  234.794   8.9079 5.616028 12.86322 
1 1 1   25   16    7 o  109.787   16.384   30.845   8.3747   27.072   9.5935   42.928   17.168   97.730   18.849  121.844   26.804 -24.11441 32.76802 
1 1 1   25   16    8 o  101.499   29.860   29.572   17.471   0.0000   0.0000   29.572   17.471  ?   ?   101.499   29.860      ?      ? 
1 1 1   25   16    9 o  209.477   21.320  121.171   24.133  121.171   24.133   0.0000   0.0000  209.477   21.320  ?   ?       ?      ? 
1 1 1   25   16   10 o  368.965   10.257  382.421   19.494  332.658   31.650  412.838   24.745  348.399   16.812  389.532   11.756 -41.13290 20.51424 
1 1 1   25   16   11 o  119.911   9.1208   39.371   5.8674   33.937   8.2885   44.829   8.3070  111.508   13.756  128.315   11.981 -16.80734 18.24158 
1 1 1   25   16   14 o  280.761   8.4060  213.939   12.753   0.0000   0.0000  213.939   12.753  ?   ?   280.761   8.4060      ?      ? 
1 1 1   25   16   15 o  256.707   8.6882  178.907   12.052   0.0000   0.0000  178.907   12.052  ?   ?   256.707   8.6882      ?      ? 
1 1 1   25   16   16 o  102.645   8.2183   29.141   4.4803   25.811   6.7439   31.773   5.9944   97.218   12.837  108.071   10.265 -10.85292 16.43661 
1 1 1   25   16   17 o   33.563   10.522  -2.5541   3.8961  -5.4032   5.4293   0.4707   5.5942   29.255   13.701   37.870   15.974 -8.615639 21.04453 
1 1 1   25   16   18 o  207.124   6.2494  116.248   6.9945   0.0000   0.0000  116.248   6.9945  ?   ?   207.124   6.2494      ?      ? 
1 1 1   25   16   19 o  101.258   11.845   28.020   6.4813   0.0000   0.0000   28.020   6.4813  ?   ?   101.258   11.845      ?      ? 
1 1 1   25   16   20 o   59.664   15.829   10.179   5.1873   0.0000   0.0000   10.179   5.1873  ?   ?    59.664   15.829      ?      ? 
1 1 1   25   16   21 o  127.312   7.9351   44.051   5.4590   0.0000   0.0000   44.051   5.4590  ?   ?   127.312   7.9351      ?      ? 
1 1 1   25   16   22 o  254.812   5.8045  176.003   7.9923   0.0000   0.0000  176.003   7.9923  ?   ?   254.812   5.8045      ?      ? 
1 1 1   25   16   23 o   94.695   9.6700   24.459   4.9482   0.0000   0.0000   24.459   4.9482  ?   ?    94.695   9.6700      ?      ? 
1 1 1   25   16   24 o  309.761   6.8209  260.557   11.417   0.0000   0.0000  260.557   11.417  ?   ?   309.761   6.8209      ?      ? 
1 1 1   25   16   25 o  200.035   5.8776  108.561   6.3532   0.0000   0.0000  108.561   6.3532  ?   ?   200.035   5.8776      ?      ? 
1 1 1   25   16   26 o   89.508   9.3783   21.898   4.5360   0.0000   0.0000   21.898   4.5360  ?   ?    89.508   9.3783      ?      ? 
1 1 1   25   16   27 o  168.589   5.9682   77.172   5.4370   0.0000   0.0000   77.172   5.4370  ?   ?   168.589   5.9682      ?      ? 
1 1 1   25   16   28 o  172.539   5.8429   80.833   5.4476   0.0000   0.0000   80.833   5.4476  ?   ?   172.539   5.8429      ?      ? 
1 1 1   25   16   29 o  219.105   5.4239  130.306   6.4217   0.0000   0.0000  130.306   6.4217  ?   ?   219.105   5.4239      ?      ? 
1 1 1   25   16   30 o   48.397   13.718   6.7137   3.7518   0.0000   0.0000   6.7137   3.7518  ?   ?    48.397   13.718      ?      ? 
1 1 1   25   16   31 o  166.483   5.5818   75.319   5.0215   0.0000   0.0000   75.319   5.0215  ?   ?   166.483   5.5818      ?      ? 
1 1 1   25   16   32 o   39.583   13.683   4.0312   3.5603   0.0000   0.0000   4.0312   3.5603  ?   ?    39.583   13.683      ?      ? 
1 1 1   25   16   33 o   43.871   13.408   5.4438   3.4725   0.0000   0.0000   5.4438   3.4725  ?   ?    43.871   13.408      ?      ? 
1 1 1   25   16   34 o  123.555   6.1279   41.592   4.0913   0.0000   0.0000   41.592   4.0913  ?   ?   123.555   6.1279      ?      ? 
1 1 1   25   16   35 o  156.321   5.4458   66.486   4.6001   0.0000   0.0000   66.486   4.6001  ?   ?   156.321   5.4458      ?      ? 
1 1 1   25   16   36 o  156.838   5.4836   66.975   4.6473   0.0000   0.0000   66.975   4.6473  ?   ?   156.838   5.4836      ?      ? 
1 1 1   25   16   37 o  153.086   5.4581   63.838   4.5151   0.0000   0.0000   63.838   4.5151  ?   ?   153.086   5.4581      ?      ? 
1 1 1   25   16   38 o  203.293   5.2559  112.575   5.7737   0.0000   0.0000  112.575   5.7737  ?   ?   203.293   5.2559      ?      ? 
1 1 1   25   16   39 o  108.499   6.4848   32.203   3.8020   0.0000   0.0000   32.203   3.8020  ?   ?   108.499   6.4848      ?      ? 
1 1 1   25   16   40 o  137.125   5.7185   51.339   4.2373   0.0000   0.0000   51.339   4.2373  ?   ?   137.125   5.7185      ?      ? 
1 1 1   25   16   41 o   59.015   10.878   10.073   3.3413   0.0000   0.0000   10.073   3.3413  ?   ?    59.015   10.878      ?      ? 
1 1 1   25   16   42 f   92.798   7.5172   23.764   3.7695   0.0000   0.0000   23.764   3.7695  ?   ?    92.798   7.5172      ?      ? 
1 1 1   25   16   43 o   42.184   13.842   5.1439   3.6449   0.0000   0.0000   5.1439   3.6449  ?   ?    42.184   13.842      ?      ? 
1 1 1   25   16   44 o   29.325   12.759  -0.1803   3.7775   0.0000   0.0000  -0.1803   3.7775  ?   ?    29.325   12.759      ?      ? 
1 1 1   25   16   45 f  120.856   7.2193   40.326   4.7147   0.0000   0.0000   40.326   4.7147  ?   ?   120.856   7.2193      ?      ? 
1 1 1   25   16   46 o  125.364   10.478   45.360   7.0978   0.0000   0.0000   45.360   7.0978  ?   ?   125.364   10.478      ?      ? 
1 1 1   25   16   47 o   36.107   11.813  -1.8380   4.8049  -8.0833   10.503  -0.1850   5.4035   38.267   18.254   33.947   14.998 4.319733 23.62510 
1 1 1   25   16   48 o   54.308   12.386   10.102   4.4008   5.4297   7.2982   12.772   5.5165   46.155   18.736   62.461   16.205 -16.30516 24.77206 
1 1 1   25   17    0 o  413.624   6.7551  463.884   15.090  443.664   21.057  485.232   21.637  404.349   9.6372  422.898   9.4682 -18.54968 13.51012 
1 1 1   25   17    1 o   48.884   13.851   1.4196   5.9677   7.7406   8.4891  -4.7559   8.3908   57.995   21.023   39.773   18.040 18.22195 27.70163 
1 1 1   25   17    2 o  233.353   9.3952  147.749   11.847   0.0000   0.0000  147.749   11.847  ?   ?   233.353   9.3952      ?      ? 
1 1 1   25   17    3 o  185.347   7.5468   92.951   7.5428  100.639   11.078   86.306   10.299  192.465   10.652  178.229   10.693 14.23584 15.09356 
1 1 1   25   17    4 o  426.832   9.4932  494.459   21.896   0.0000   0.0000  494.459   21.896  ?   ?   426.832   9.4932      ?      ? 
1 1 1   25   17    5 o   77.567   13.903   17.531   6.0628   23.522   8.2847   10.624   8.8960   91.125   17.461   64.010   21.640 27.11485 27.80613 
1 1 1   25   17    6 o  185.753   7.3669   93.943   7.3756   86.436   10.450  101.395   10.412  178.300   10.846  193.207   9.9727 -14.90710 14.73386 
1 1 1   25   17    8 o  148.931   8.3545   60.012   6.6975   65.225   10.024   55.808   9.0015  154.716   11.990  143.146   11.637 11.56960 16.70903 
1 1 1   25   17    9 o   79.822   13.750   18.324   5.9533   22.838   8.4539   13.883   8.3851   89.499   18.102   70.144   20.700 19.35555 27.49902 
1 1 1   25   17   10 o  150.585   29.833   66.667   23.417   66.667   23.417   0.0000   0.0000  150.585   29.833  ?   ?       ?      ? 
1 1 1   25   17   11 o  385.179   11.176  407.792   23.213  397.748   33.669  416.892   32.048  380.428   16.378  389.930   15.210 -9.501495 22.35138 
1 1 1   25   17   12 o  199.036   14.759  108.717   15.665  117.973   24.580  102.387   20.327  205.754   22.108  192.318   19.560 13.43547 29.51893 
1 1 1   25   17   13 o  103.874   18.577   28.386   7.4934   33.288   22.285   27.761   7.9567  107.090   34.153  100.657   14.628 6.432388 37.15426 
1 1 1   25   17   14 o  212.998   6.3521  123.295   7.3057  129.237   10.366  117.430   10.298  218.123   8.7946  207.873   9.1679 10.25012 12.70417 
1 1 1   25   17   15 o   58.072   13.405   8.3801   5.0257   4.4043   6.8067   13.145   7.4519   48.214   18.547   67.930   19.360 -19.71619 26.81072 
1 1 1   25   17   16 f  186.516   6.1562   94.450   6.0592   95.090   9.6856   94.038   7.7666  186.914   9.5895  186.117   7.7225 0.7966309 12.31240 
1 1 1   25   17   17 o  182.834   7.6322   90.773   7.5404   0.0000   0.0000   90.773   7.5404  ?   ?   182.834   7.6322      ?      ? 
1 1 1   25   17   18 o   72.328   14.411   14.888   5.4347   0.0000   0.0000   14.888   5.4347  ?   ?    72.328   14.411      ?      ? 
1 1 1   25   17   19 o   83.807   11.936   19.234   5.4056   0.0000   0.0000   19.234   5.4056  ?   ?    83.807   11.936      ?      ? 
1 1 1   25   17   20 o  101.928   9.9090   28.343   5.4577   0.0000   0.0000   28.343   5.4577  ?   ?   101.928   9.9090      ?      ? 
1 1 1   25   17   21 o  140.974   7.5725   54.013   5.7685   0.0000   0.0000   54.013   5.7685  ?   ?   140.974   7.5725      ?      ? 
1 1 1   25   17   22 o   76.155   12.200   15.927   5.0206   0.0000   0.0000   15.927   5.0206  ?   ?    76.155   12.200      ?      ? 
1 1 1   25   17   23 o   72.794   13.217   15.047   5.0074   0.0000   0.0000   15.047   5.0074  ?   ?    72.794   13.217      ?      ? 
1 1 1   25   17   24 o  132.648   7.6038   47.904   5.4503   0.0000   0.0000   47.904   5.4503  ?   ?   132.648   7.6038      ?      ? 
1 1 1   25   17   25 o  189.286   6.2749   97.333   6.4182   0.0000   0.0000   97.333   6.4182  ?   ?   189.286   6.2749      ?      ? 
1 1 1   25   17   26 o  304.914   5.8058  252.425   9.5659   0.0000   0.0000  252.425   9.5659  ?   ?   304.914   5.8058      ?      ? 
1 1 1   25   17   27 o  268.613   5.7306  195.934   8.3180   0.0000   0.0000  195.934   8.3180  ?   ?   268.613   5.7306      ?      ? 
1 1 1   25   17   28 f  168.207   6.3875   76.977   5.8058   0.0000   0.0000   76.977   5.8058  ?   ?   168.207   6.3875      ?      ? 
1 1 1   25   17   29 o   46.097   15.064   5.8203   4.3182   0.0000   0.0000   5.8203   4.3182  ?   ?    46.097   15.064      ?      ? 
1 1 1   25   17   30 o   53.419   14.189   8.2885   4.1652   0.0000   0.0000   8.2885   4.1652  ?   ?    53.419   14.189      ?      ? 
1 1 1   25   17   31 o  182.404   5.7763   90.522   5.6934   0.0000   0.0000   90.522   5.6934  ?   ?   182.404   5.7763      ?      ? 
1 1 1   25   17   32 o  272.895   5.5887  202.606   8.2412   0.0000   0.0000  202.606   8.2412  ?   ?   272.895   5.5887      ?      ? 
1 1 1   25   17   33 o  140.645   6.2500   53.922   4.7500   0.0000   0.0000   53.922   4.7500  ?   ?   140.645   6.2500      ?      ? 
1 1 1   25   17   34 o  169.638   5.6581   78.368   5.1866   0.0000   0.0000   78.368   5.1866  ?   ?   169.638   5.6581      ?      ? 
1 1 1   25   17   35 o  134.667   6.3144   49.518   4.5949   0.0000   0.0000   49.518   4.5949  ?   ?   134.667   6.3144      ?      ? 
1 1 1   25   17   36 o   29.552   12.565   0.2904   3.5070   0.0000   0.0000   0.2904   3.5070  ?   ?    29.552   12.565      ?      ? 
1 1 1   25   17   38 o   64.357   11.484   11.941   3.8472   0.0000   0.0000   11.941   3.8472  ?   ?    64.357   11.484      ?      ? 
1 1 1   25   17   39 o  172.230   6.0301   81.129   5.6120   0.0000   0.0000   81.129   5.6120  ?   ?   172.230   6.0301      ?      ? 
1 1 1   25   17   40 o   71.313   10.140   14.237   3.9073   0.0000   0.0000   14.237   3.9073  ?   ?    71.313   10.140      ?      ? 
1 1 1   25   17   41 o   90.882   8.6971   22.997   4.2711   0.0000   0.0000   22.997   4.2711  ?   ?    90.882   8.6971      ?      ? 
1 1 1   25   17   42 o   23.427   11.093  -3.9463   3.7373   0.0000   0.0000  -3.9463   3.7373  ?   ?    23.427   11.093      ?      ? 
1 1 1   25   17   43 o  122.485   6.9383   41.339   4.5922   0.0000   0.0000   41.339   4.5922  ?   ?   122.485   6.9383      ?      ? 
1 1 1   25   17   44 o   30.429   10.578  -6.4829   3.6284  -5.5631   9.6310  -6.6350   3.9170   39.463   18.405   21.396   10.432 18.06682 21.15570 
1 1 1   25   17   45 o   74.650   11.998   23.620   4.0139   8.1171   11.086   25.959   4.3061   53.433   22.509   95.867   8.3124 -42.43368 23.99528 
1 1 1   25   17   46 o  138.939   9.1135   62.352   4.6974   49.009   11.527   65.009   5.1439  124.470   17.138  153.408   6.2052 -28.93746 18.22704 
1 1 1   25   17   47 o   48.393   13.929   5.5276   5.1415   10.167   10.024   3.8713   5.9895   55.305   22.130   41.481   16.922 13.82433 27.85782 
1 1 1   25   18    0 o  192.977   8.7709  101.676   9.1323  107.478   12.867   95.788   12.963  198.588   11.991  187.365   12.804 11.22293 17.54181 
1 1 1   25   18    1 o  232.219   7.6406  145.322   9.4338  139.224   12.181  154.459   14.912  226.316   9.9609  238.123   11.589 -11.80743 15.28122 
1 1 1   25   18    2 o  230.672   7.6632  143.555   9.4198  137.648   12.233  152.162   14.765  225.007   10.061  236.337   11.562 -11.32932 15.32631 
1 1 1   25   18    3 o  191.515   7.4310   99.590   7.6819  105.910   11.133   93.845   10.613  197.312   10.442  185.717   10.576 11.59491 14.86195 
1 1 1   25   18    4 o  272.451   9.0926  201.613   13.386   0.0000   0.0000  201.613   13.386  ?   ?   272.451   9.0926      ?      ? 
1 1 1   25   18    5 o  185.395   7.2854   93.485   7.2980   94.390   10.406   92.610   10.238  186.273   10.338  184.517   10.268 1.755661 14.57084 
1 1 1   25   18    6 o  176.720   7.3977   84.970   7.0604   88.736   10.038   81.283   9.9330  180.615   10.285  172.824   10.636 7.791656 14.79549 
1 1 1   25   18    7 o  204.745   6.8506  113.914   7.5747  119.519   10.807  108.501   10.620  209.714   9.5364  199.776   9.8376 9.937302 13.70116 
1 1 1   25   18    8 o  223.667   9.4290  135.944   11.396   0.0000   0.0000  135.944   11.396  ?   ?   223.667   9.4290      ?      ? 
1 1 1   25   18    9 o  191.045   7.1928   98.437   7.3933  110.586   11.054   88.606   9.9447  201.621   10.146  180.469   10.198 21.15213 14.38553 
1 1 1   25   18   10 o   97.776   10.837   26.132   5.7096   24.726   7.7258   27.824   8.4752   94.918   15.063  100.634   15.585 -5.716667 21.67478 
1 1 1   25   18   11 f  173.846   7.7378   83.011   7.1645   86.650   9.4940   78.198   10.919  178.450   9.8457  169.243   11.940 9.207169 15.47557 
1 1 1   25   18   12 o  162.458   15.443   92.257   8.9597  102.168   9.9847   51.284   20.302  193.775   9.5356  131.141   29.378 62.63411 30.88697 
1 1 1   25   18   13 o  137.558   20.834   58.110   14.930   45.766   23.960   65.946   19.089  122.230   34.674  152.886   23.107 -30.65569 41.66764 
1 1 1   25   18   14 o   57.380   18.984 -16.2815   14.262 -20.9054   23.396 -13.5473   17.991   60.080   28.234   54.680   25.385 5.400520 37.96801 
1 1 1   25   18   15 o  124.004   17.802   31.306   9.0515   73.378   23.830   24.213   9.7848  156.747   29.209   91.260   20.359 65.48644 35.60408 
1 1 1   25   18   16 o  161.439   8.6154   70.913   7.5157   0.0000   0.0000   70.913   7.5157  ?   ?   161.439   8.6154      ?      ? 
1 1 1   25   18   17 o  159.480   7.5942   69.107   6.5445   0.0000   0.0000   69.107   6.5445  ?   ?   159.480   7.5942      ?      ? 
1 1 1   25   18   18 o  250.491   10.899  171.579   14.753   0.0000   0.0000  171.579   14.753  ?   ?   250.491   10.899      ?      ? 
1 1 1   25   18   19 o  139.653   8.1639   53.070   6.1608   0.0000   0.0000   53.070   6.1608  ?   ?   139.653   8.1639      ?      ? 
1 1 1   25   18   20 o  189.376   6.8736   97.426   7.0340   0.0000   0.0000   97.426   7.0340  ?   ?   189.376   6.8736      ?      ? 
1 1 1   25   18   21 o   88.126   11.519   21.336   5.4854   0.0000   0.0000   21.336   5.4854  ?   ?    88.126   11.519      ?      ? 
1 1 1   25   18   22 o  161.456   7.1603   70.917   6.2470   0.0000   0.0000   70.917   6.2470  ?   ?   161.456   7.1603      ?      ? 
1 1 1   25   18   23 o  130.788   8.2047   46.651   5.7986   0.0000   0.0000   46.651   5.7986  ?   ?   130.788   8.2047      ?      ? 
1 1 1   25   18   24 o  245.404   7.5631  164.071   10.029   0.0000   0.0000  164.071   10.029  ?   ?   245.404   7.5631      ?      ? 
1 1 1   25   18   25 o  279.786   7.5192  213.361   11.368   0.0000   0.0000  213.361   11.368  ?   ?   279.786   7.5192      ?      ? 
1 1 1   25   18   26 o  187.210   6.4994   95.377   6.5749   0.0000   0.0000   95.377   6.5749  ?   ?   187.210   6.4994      ?      ? 
1 1 1   25   18   27 o   59.803   15.628   10.461   5.1061   0.0000   0.0000   10.461   5.1061  ?   ?    59.803   15.628      ?      ? 
1 1 1   25   18   28 o  180.073   6.6516   88.347   6.4724   0.0000   0.0000   88.347   6.4724  ?   ?   180.073   6.6516      ?      ? 
1 1 1   25   18   29 o   30.832   13.732  -1.4869   4.6211   0.0000   0.0000  -1.4869   4.6211  ?   ?    30.832   13.732      ?      ? 
1 1 1   25   18   30 o  167.921   7.3048   77.082   6.6283   0.0000   0.0000   77.082   6.6283  ?   ?   167.921   7.3048      ?      ? 
1 1 1   25   18   32 o   81.877   11.281   18.669   4.9909   0.0000   0.0000   18.669   4.9909  ?   ?    81.877   11.281      ?      ? 
1 1 1   25   18   34 o  228.555   6.5551  142.814   8.0958   0.0000   0.0000  142.814   8.0958  ?   ?   228.555   6.5551      ?      ? 
1 1 1   25   18   35 o  101.524   8.9005   28.500   4.8828   0.0000   0.0000   28.500   4.8828  ?   ?   101.524   8.9005      ?      ? 
1 1 1   25   18   36 o  170.916   6.5955   79.947   6.0914   0.0000   0.0000   79.947   6.0914  ?   ?   170.916   6.5955      ?      ? 
1 1 1   25   18   37 o   72.968   10.470   14.881   4.1283   0.0000   0.0000   14.881   4.1283  ?   ?    72.968   10.470      ?      ? 
1 1 1   25   18   38 o   71.693   10.432   14.414   4.0415   0.0000   0.0000   14.414   4.0415  ?   ?    71.693   10.432      ?      ? 
1 1 1   25   18   39 o  152.202   6.1820   63.454   5.0843   0.0000   0.0000   63.454   5.0843  ?   ?   152.202   6.1820      ?      ? 
1 1 1   25   18   40 o  110.504   7.4636   33.793   4.4567   0.0000   0.0000   33.793   4.4567  ?   ?   110.504   7.4636      ?      ? 
1 1 1   25   18   41 o  185.241   5.7883   94.051   5.7940   0.0000   0.0000   94.051   5.7940  ?   ?   185.241   5.7883      ?      ? 
1 1 1   25   18   42 f  191.651   5.6063  100.508   5.8060   0.0000   0.0000  100.508   5.8060  ?   ?   191.651   5.6063      ?      ? 
1 1 1   25   18   43 o  110.276   7.4533   33.731   4.4414   0.0000   0.0000   33.731   4.4414  ?   ?   110.276   7.4533      ?      ? 
1 1 1   25   18   44 o   33.441   13.654   1.9978   3.9042   0.0000   0.0000   1.9978   3.9042  ?   ?    33.441   13.654      ?      ? 
1 1 1   25   18   45 o   55.620   13.651   7.4626   3.7314   16.052   10.186   6.1313   4.0101   66.327   23.131   44.913   14.505 21.41444 27.30273 
1 1 1   25   18   46 o   85.452   12.524   26.329   4.0808   21.293   10.625   27.201   4.4197   72.956   23.616   97.948   8.3506 -24.99155 25.04894 
1 1 1   25   19    0 o   47.281   13.966   0.1715   6.1844  -4.5743   8.6226   5.1992   8.8749   40.502   18.337   54.059   21.071 -13.55685 27.93221 
1 1 1   25   19    1 o  131.297   10.793   48.329   7.4852   55.946   10.175   39.347   11.050  143.075   13.161  119.518   17.110 23.55736 21.58611 
1 1 1   25   19    2 o  331.548   8.0859  299.111   14.474  313.513   20.983  286.036   19.992  339.146   11.450  323.950   11.421 15.19562 16.17188 
1 1 1   25   19    3 o   49.862   13.903  -1.0884   6.5673   10.773   9.2462 -13.1644   9.3296   64.455   22.061   35.269   16.926 29.18624 27.80605 
1 1 1   25   19    4 o  210.369   8.0007  120.672   9.0871  127.095   12.912  114.369   12.791  215.957   11.065  204.781   11.559 11.17632 16.00131 
1 1 1   25   19    5 o   60.898   15.344   8.9243   6.5130   11.935   8.6975   5.0811   9.8273   66.114   21.363   55.681   22.030 10.43333 30.68700 
1 1 1   25   19    6 o   68.625   15.297   12.347   6.4375   8.2252   8.5240   17.820   9.8213   58.603   21.091   78.646   22.161 -20.04351 30.59320 
1 1 1   25   19    7 o  154.884   9.4931   66.226   7.8275   79.842   11.140   52.950   11.000  170.936   12.061  138.831   14.663 32.10449 18.98623 
1 1 1   25   19    8 o  192.805   8.2643  101.642   8.6022  105.811   12.105   97.387   12.227  196.858   11.379  188.752   11.988 8.106628 16.52856 
1 1 1   25   19    9 o  129.968   9.8704   46.489   6.9123   47.883   9.5172   44.932   10.056  132.128   13.330  127.808   14.561 4.319656 19.74078 
1 1 1   25   19   10 o   72.786   15.081   14.990   6.3151   12.802   8.5106   17.671   9.4202   67.535   21.050   78.038   21.603 -10.50333 30.16266 
1 1 1   25   19   11 o   49.631   14.204   3.1681   5.9690   5.2365   7.9199   0.4484   9.0818   51.918   19.997   47.344   20.177 4.574562 28.40736 
1 1 1   25   19   12 o  126.234   9.9377   45.299   6.5487   53.514   8.8017   35.113   9.8013  139.842   11.648  112.627   16.105 27.21413 19.87541 
1 1 1   25   19   13 o  183.095   7.7812   90.699   7.6482   83.829   10.132   99.797   11.660  175.176   10.704  191.014   11.297 -15.83859 15.56247 
1 1 1   25   19   14 o  187.329   7.7372   96.942   7.7433  110.158   10.748   82.680   11.165  200.943   9.8983  173.714   11.895 27.22795 15.47448 
1 1 1   25   19   15 o  110.020   14.627   33.423   8.6960   33.423   8.6960   0.0000   0.0000  110.020   14.627  ?   ?       ?      ? 
1 1 1   25   19   21 o   93.797   13.444   24.385   6.8141   0.0000   0.0000   24.385   6.8141  ?   ?    93.797   13.444      ?      ? 
1 1 1   25   19   22 o  125.726   10.559   43.420   7.1735   0.0000   0.0000   43.420   7.1735  ?   ?   125.726   10.559      ?      ? 
1 1 1   25   19   23 o  144.855   9.5921   57.528   7.5082   0.0000   0.0000   57.528   7.5082  ?   ?   144.855   9.5921      ?      ? 
1 1 1   25   19   25 o  167.489   8.5299   76.814   7.7200   0.0000   0.0000   76.814   7.7200  ?   ?   167.489   8.5299      ?      ? 
1 1 1   25   19   28 o   37.813   15.728   1.3511   5.3093   0.0000   0.0000   1.3511   5.3093  ?   ?    37.813   15.728      ?      ? 
1 1 1   25   19   29 o   39.437   15.974   2.2551   5.2926   0.0000   0.0000   2.2551   5.2926  ?   ?    39.437   15.974      ?      ? 
1 1 1   25   19   30 o  213.698   8.0318  125.285   9.2747   0.0000   0.0000  125.285   9.2747  ?   ?   213.698   8.0318      ?      ? 
1 1 1   25   19   31 o  136.830   7.4190   51.300   5.4855   0.0000   0.0000   51.300   5.4855  ?   ?   136.830   7.4190      ?      ? 
1 1 1   25   19   32 o   68.920   13.154   13.827   4.7200   0.0000   0.0000   13.827   4.7200  ?   ?    68.920   13.154      ?      ? 
1 1 1   25   19   33 o  134.820   7.2513   49.862   5.2828   0.0000   0.0000   49.862   5.2828  ?   ?   134.820   7.2513      ?      ? 
1 1 1   25   19   34 o   55.330   15.129   9.1312   4.6533   0.0000   0.0000   9.1312   4.6533  ?   ?    55.330   15.129      ?      ? 
1 1 1   25   19   35 o   58.116   14.422   10.057   4.5076   0.0000   0.0000   10.057   4.5076  ?   ?    58.116   14.422      ?      ? 
1 1 1   25   19   36 o   93.781   9.3875   24.473   4.7572   0.0000   0.0000   24.473   4.7572  ?   ?    93.781   9.3875      ?      ? 
1 1 1   25   19   37 o   72.880   11.225   14.987   4.4207   0.0000   0.0000   14.987   4.4207  ?   ?    72.880   11.225      ?      ? 
1 1 1   25   19   38 o  172.697   6.1371   81.784   5.7272   0.0000   0.0000   81.784   5.7272  ?   ?   172.697   6.1371      ?      ? 
1 1 1   25   19   39 o   46.155   14.870   6.3205   4.2161   0.0000   0.0000   6.3205   4.2161  ?   ?    46.155   14.870      ?      ? 
1 1 1   25   19   40 o  120.265   7.8628   40.085   5.1098   0.0000   0.0000   40.085   5.1098  ?   ?   120.265   7.8628      ?      ? 
1 1 1   25   19   41 o   84.748   10.134   20.233   4.6410   0.0000   0.0000   20.233   4.6410  ?   ?    84.748   10.134      ?      ? 
1 1 1   25   19   42 f  113.040   7.6369   35.695   4.6648   0.0000   0.0000   35.695   4.6648  ?   ?   113.040   7.6369      ?      ? 
1 1 1   25   19   43 o  138.205   6.7104   53.083   5.0114   0.0000   0.0000   53.083   5.0114  ?   ?   138.205   6.7104      ?      ? 
1 1 1   25   19   44 o   90.761   8.9729   23.326   4.4007   0.0000   0.0000   23.326   4.4007  ?   ?    90.761   8.9729      ?      ? 
1 1 1   25   19   45 o   76.821   10.449   17.232   4.3377   0.0000   0.0000   17.232   4.3377  ?   ?    76.821   10.449      ?      ? 
1 1 1   25   20    0 o  167.565   11.149   76.666   10.095   0.0000   0.0000   76.666   10.095  ?   ?   167.565   11.149      ?      ? 
1 1 1   25   20    1 o  149.023   8.9364   60.682   7.1340   72.159   10.391   50.448   9.8121  162.446   11.837  135.600   13.391 26.84610 17.87288 
1 1 1   25   20    2 o  377.331   9.3215  387.610   19.006   0.0000   0.0000  387.610   19.006  ?   ?   377.331   9.3215      ?      ? 
1 1 1   25   20    3 o  176.964   10.806   85.492   10.333   0.0000   0.0000   85.492   10.333  ?   ?   176.964   10.806      ?      ? 
1 1 1   25   20    4 o  290.313   6.5424  228.960   10.250  240.005   14.965  219.200   14.068  296.874   9.3287  283.752   9.1753 13.12265 13.08479 
1 1 1   25   20    5 o  191.704   10.587  100.320   10.967  100.320   10.967   0.0000   0.0000  191.704   10.587  ?   ?       ?      ? 
1 1 1   25   20    6 o  270.257   9.4388  198.988   13.784   0.0000   0.0000  198.988   13.784  ?   ?   270.257   9.4388      ?      ? 
1 1 1   25   20    7 o  194.380   10.898  103.239   11.446   0.0000   0.0000  103.239   11.446  ?   ?   194.380   10.898      ?      ? 
1 1 1   25   20    8 o   45.264   12.914  -3.4019   6.0109   9.0281   8.3107 -17.0373   8.7043   59.563   20.887   30.965   15.193 28.59805 25.82801 
1 1 1   25   20    9 o  125.214   9.4950   43.005   6.4139   39.776   8.8460   46.585   9.3132  120.240   13.615  130.189   13.239 -9.949158 18.99001 
1 1 1   25   20   10 o  309.469   6.9846  261.484   11.534  260.135   17.742  262.471   15.178  308.535   10.642  310.403   9.0493 -1.868011 13.96920 
1 1 1   25   20   11 o  181.053   7.9039   88.893   7.6680  106.757   11.400   74.131   10.363  197.616   10.675  164.489   11.659 33.12668 15.80778 
1 1 1   25   20   12 o  238.239   11.044  155.360   14.218   0.0000   0.0000  155.360   14.218  ?   ?   238.239   11.044      ?      ? 
1 1 1   25   20   13 o  174.708   10.811   83.558   10.206   0.0000   0.0000   83.558   10.206  ?   ?   174.708   10.811      ?      ? 
1 1 1   25   20   14 o   69.510   13.965   14.124   5.4946   15.179   7.3349   12.776   8.2943   72.114   18.675   66.906   20.768 5.207520 27.92984 
1 1 1   25   20   15 o   47.296   13.179   3.8534   4.9365   4.5450   7.3596   3.2876   6.6560   49.206   19.185   45.385   18.075 3.820396 26.35881 
1 1 1   25   20   16 o   67.179   17.273   13.151   6.3055   0.0000   0.0000   13.151   6.3055  ?   ?    67.179   17.273      ?      ? 
1 1 1   25   20   17 o  155.830   8.4540   66.258   7.1187   0.0000   0.0000   66.258   7.1187  ?   ?   155.830   8.4540      ?      ? 
1 1 1   25   20   18 o  129.673   9.4417   46.010   6.6159   0.0000   0.0000   46.010   6.6159  ?   ?   129.673   9.4417      ?      ? 
1 1 1   25   20   19 o  157.335   13.941   68.813   11.853   0.0000   0.0000   68.813   11.853  ?   ?   157.335   13.941      ?      ? 
1 1 1   25   20   20 o   59.782   22.173   8.6927   9.5292   0.0000   0.0000   8.6927   9.5292  ?   ?    59.782   22.173      ?      ? 
1 1 1   25   20   21 o   36.910   17.731 -13.6813   10.295   0.0000   0.0000 -13.6813   10.295  ?   ?    36.910   17.731      ?      ? 
1 1 1   25   20   22 o   37.228   17.690 -10.7597   9.6718   0.0000   0.0000 -10.7597   9.6718  ?   ?    37.228   17.690      ?      ? 
1 1 1   25   20   23 o  122.814   17.421   43.066   11.561   0.0000   0.0000   43.066   11.561  ?   ?   122.814   17.421      ?      ? 
1 1 1   25   20   24 o   65.195   17.004   12.572   6.0526   0.0000   0.0000   12.572   6.0526  ?   ?    65.195   17.004      ?      ? 
1 1 1   25   20   25 o   92.193   11.454   23.604   5.7062   0.0000   0.0000   23.604   5.7062  ?   ?    92.193   11.454      ?      ? 
1 1 1   25   20   26 o  221.991   6.6180  134.441   7.9388   0.0000   0.0000  134.441   7.9388  ?   ?   221.991   6.6180      ?      ? 
1 1 1   25   20   27 o   46.388   16.322   5.6119   5.0771   0.0000   0.0000   5.6119   5.0771  ?   ?    46.388   16.322      ?      ? 
1 1 1   25   20   28 o   65.335   14.968   12.593   5.1710   0.0000   0.0000   12.593   5.1710  ?   ?    65.335   14.968      ?      ? 
1 1 1   25   20   29 o  186.698   6.6433   95.246   6.7021   0.0000   0.0000   95.246   6.7021  ?   ?   186.698   6.6433      ?      ? 
1 1 1   25   20   30 o   67.259   14.721   13.384   5.2018   0.0000   0.0000   13.384   5.2018  ?   ?    67.259   14.721      ?      ? 
1 1 1   25   20   31 o  136.135   9.0710   51.266   6.6728   0.0000   0.0000   51.266   6.6728  ?   ?   136.135   9.0710      ?      ? 
1 1 1   25   20   32 o   86.145   11.098   20.789   5.1659   0.0000   0.0000   20.789   5.1659  ?   ?    86.145   11.098      ?      ? 
1 1 1   25   20   33 o   71.403   13.301   14.900   4.9432   0.0000   0.0000   14.900   4.9432  ?   ?    71.403   13.301      ?      ? 
1 1 1   25   20   34 o  152.277   7.1487   63.713   5.8823   0.0000   0.0000   63.713   5.8823  ?   ?   152.277   7.1487      ?      ? 
1 1 1   25   20   35 o   63.350   14.518   12.049   4.8636   0.0000   0.0000   12.049   4.8636  ?   ?    63.350   14.518      ?      ? 
1 1 1   25   20   36 o  123.915   7.9042   42.453   5.2926   0.0000   0.0000   42.453   5.2926  ?   ?   123.915   7.9042      ?      ? 
1 1 1   25   20   37 o   32.447   14.064   0.1103   4.5555   0.0000   0.0000   0.1103   4.5555  ?   ?    32.447   14.064      ?      ? 
1 1 1   25   20   38 o  115.268   8.3418   36.969   5.1959   0.0000   0.0000   36.969   5.1959  ?   ?   115.268   8.3418      ?      ? 
1 1 1   25   20   39 o  152.548   7.4694   64.301   6.1571   0.0000   0.0000   64.301   6.1571  ?   ?   152.548   7.4694      ?      ? 
1 1 1   25   20   40 o   61.419   14.575   11.591   4.7647   0.0000   0.0000   11.591   4.7647  ?   ?    61.419   14.575      ?      ? 
1 1 1   25   20   41 o   93.926   9.6339   25.330   4.8896   0.0000   0.0000   25.330   4.8896  ?   ?    93.926   9.6339      ?      ? 
1 1 1   25   20   42 o   25.609   12.092  -4.0690   4.3836   0.0000   0.0000  -4.0690   4.3836  ?   ?    25.609   12.092      ?      ? 
1 1 1   25   20   43 o   80.407   10.695   18.813   4.6470   0.0000   0.0000   18.813   4.6470  ?   ?    80.407   10.695      ?      ? 
1 1 1   25   21    0 o   93.090   13.609   24.660   6.7513   32.053   9.8531   18.117   9.2692  107.396   16.978   78.785   21.274 28.61099 27.21862 
1 1 1   25   21    1 o  180.611   11.060   89.210   10.794   0.0000   0.0000   89.210   10.794  ?   ?   180.611   11.060      ?      ? 
1 1 1   25   21    2 o   53.470   14.591   4.0754   6.3821  -2.1433   8.9927   10.386   9.0590   43.894   19.372   63.045   21.824 -19.15034 29.18149 
1 1 1   25   21    3 o   46.878   13.741  -0.7133   6.2251   7.0392   8.8188  -8.4127   8.7886   56.609   21.265   37.147   17.408 19.46201 27.48124 
1 1 1   25   21    4 o   47.858   13.831   0.4771   6.1439   7.5205   8.6895  -6.5640   8.6880   57.229   21.184   38.487   17.787 18.74172 27.66160 
1 1 1   25   21    5 o   41.091   12.954  -4.5571   6.1332   1.3400   8.4201 -11.2220   8.9515   46.801   19.661   35.381   16.870 11.42039 25.90706 
1 1 1   25   21    6 o  202.191   10.620  111.788   11.603   0.0000   0.0000  111.788   11.603  ?   ?   202.191   10.620      ?      ? 
1 1 1   25   21    7 o  101.804   12.482   29.297   6.7235   27.670   9.2752   31.099   9.7602   98.012   18.182  105.596   17.105 -7.583672 24.96341 
1 1 1   25   21    8 o  157.661   8.5626   68.294   7.2724   61.478   10.165   75.441   10.409  149.497   12.583  165.824   11.616 -16.32741 17.12512 
1 1 1   25   21    9 o   47.495   13.589   0.7052   5.8277  -5.5711   7.9328   8.0637   8.5896   37.145   17.107   57.845   21.119 -20.69960 27.17838 
1 1 1   25   21   10 f  248.706   9.4236  168.990   12.665   0.0000   0.0000  168.990   12.665  ?   ?   248.706   9.4236      ?      ? 
1 1 1   25   21   11 o  217.449   7.1947  129.108   8.4304  134.347   12.485  124.717   11.430  221.416   10.435  213.481   9.9081 7.935318 14.38936 
1 1 1   25   21   12 o   66.484   14.192   11.606   5.9077   5.1377   7.9218   19.710   8.8674   51.320   19.934   81.648   20.208 -30.32758 28.38487 
1 1 1   25   21   13 o  206.895   11.387  117.725   12.730   0.0000   0.0000  117.725   12.730  ?   ?   206.895   11.387      ?      ? 
1 1 1   25   21   14 o  183.053   7.0539   92.427   6.8891   87.477   10.446   96.236   9.1645  178.459   10.832  187.647   9.0382 -9.187912 14.10782 
1 1 1   25   21   15 o   37.488   11.729  -1.6765   4.6747  -1.8921   6.9364  -1.4972   6.3275   38.156   16.918   36.820   16.250 1.336002 23.45814 
1 1 1   25   21   16 f   75.915   15.765   16.702   6.2558   0.0000   0.0000   16.702   6.2558  ?   ?    75.915   15.765      ?      ? 
1 1 1   25   21   17 o  100.175   11.771   27.715   6.3717   0.0000   0.0000   27.715   6.3717  ?   ?   100.175   11.771      ?      ? 
1 1 1   25   21   18 o  132.331   9.4723   48.042   6.7734   0.0000   0.0000   48.042   6.7734  ?   ?   132.331   9.4723      ?      ? 
1 1 1   25   21   19 o  150.002   8.7486   61.639   7.0913   0.0000   0.0000   61.639   7.0913  ?   ?   150.002   8.7486      ?      ? 
1 1 1   25   21   20 o  156.970   8.1033   67.387   6.8733   0.0000   0.0000   67.387   6.8733  ?   ?   156.970   8.1033      ?      ? 
1 1 1   25   21   21 o  146.364   8.4438   58.678   6.6782   0.0000   0.0000   58.678   6.6782  ?   ?   146.364   8.4438      ?      ? 
1 1 1   25   21   22 o   78.804   14.549   17.998   5.9672   0.0000   0.0000   17.998   5.9672  ?   ?    78.804   14.549      ?      ? 
1 1 1   25   21   23 o  146.852   8.3405   59.156   6.6185   0.0000   0.0000   59.156   6.6185  ?   ?   146.852   8.3405      ?      ? 
1 1 1   25   21   24 o   43.879   19.795  -3.3708   9.9470   0.0000   0.0000  -3.3708   9.9470  ?   ?    43.879   19.795      ?      ? 
1 1 1   25   21   25 o  116.134   16.347   38.688   10.258   0.0000   0.0000   38.688   10.258  ?   ?   116.134   16.347      ?      ? 
1 1 1   25   21   26 o  140.669   14.843   56.371   11.283   0.0000   0.0000   56.371   11.283  ?   ?   140.669   14.843      ?      ? 
1 1 1   25   21   27 f  143.908   14.703   59.121   11.434   0.0000   0.0000   59.121   11.434  ?   ?   143.908   14.703      ?      ? 
1 1 1   25   21   28 o   83.039   22.549   21.984   10.379   0.0000   0.0000   21.984   10.379  ?   ?    83.039   22.549      ?      ? 
1 1 1   25   21   29 o   31.366   15.564 -21.7250   10.066   0.0000   0.0000 -21.7250   10.066  ?   ?    31.366   15.564      ?      ? 
1 1 1   25   21   30 o   89.286   22.318   25.580   10.738   0.0000   0.0000   25.580   10.738  ?   ?    89.286   22.318      ?      ? 
1 1 1   25   21   31 o   37.841   18.151 -12.4363   10.697   0.0000   0.0000 -12.4363   10.697  ?   ?    37.841   18.151      ?      ? 
1 1 1   25   21   32 o   73.756   14.294   16.124   5.4910   0.0000   0.0000   16.124   5.4910  ?   ?    73.756   14.294      ?      ? 
1 1 1   25   21   33 o   56.572   16.116   9.7203   5.1650   0.0000   0.0000   9.7203   5.1650  ?   ?    56.572   16.116      ?      ? 
1 1 1   25   21   34 o   82.431   11.551   19.255   5.1451   0.0000   0.0000   19.255   5.1451  ?   ?    82.431   11.551      ?      ? 
1 1 1   25   21   35 o  100.046   9.8410   28.180   5.3202   0.0000   0.0000   28.180   5.3202  ?   ?   100.046   9.8410      ?      ? 
1 1 1   25   21   36 o  102.354   9.5908   29.444   5.3045   0.0000   0.0000   29.444   5.3045  ?   ?   102.354   9.5908      ?      ? 
1 1 1   25   21   37 o  170.286   7.2188   80.021   6.6425   0.0000   0.0000   80.021   6.6425  ?   ?   170.286   7.2188      ?      ? 
1 1 1   25   21   38 o   22.130   10.990 -11.4548   5.0616   0.0000   0.0000 -11.4548   5.0616  ?   ?    22.130   10.990      ?      ? 
1 1 1   25   21   39 f  115.920   9.1195   38.189   5.7124   0.0000   0.0000   38.189   5.7124  ?   ?   115.920   9.1195      ?      ? 
1 1 1   25   21   40 o  127.252   8.1230   45.531   5.5856   0.0000   0.0000   45.531   5.5856  ?   ?   127.252   8.1230      ?      ? 
1 1 1   25   21   41 o   88.117   10.403   22.343   4.9535   0.0000   0.0000   22.343   4.9535  ?   ?    88.117   10.403      ?      ? 
1 1 1   25   21   42 o   36.613   14.935   2.7556   4.6654   0.0000   0.0000   2.7556   4.6654  ?   ?    36.613   14.935      ?      ? 
1 1 1   25   22    0 o  135.168   9.5799   50.497   6.9795   55.160   9.9610   46.001   9.7824  141.410   13.036  128.925   14.042 12.48477 19.15978 
1 1 1   25   22    1 o  171.015   8.2114   80.046   7.5737   86.521   11.099   74.403   10.361  177.473   11.574  164.558   11.651 12.91492 16.42271 
1 1 1   25   22    2 o  124.688   10.767   44.142   6.6591   27.375   9.0868   63.592   9.7870   97.321   17.940  152.055   11.911 -54.73407 21.53404 
1 1 1   25   22    3 o  133.736   9.3720   49.452   6.7673   51.394   9.5318   47.477   9.6094  136.458   12.927  131.014   13.573 5.444366 18.74393 
1 1 1   25   22    4 o  244.641   6.8613  163.814   9.0560  152.733   12.766  175.038   12.848  236.214   10.002  253.068   9.3956 -16.85378 13.72256 
1 1 1   25   22    5 o   56.072   14.758   6.3572   6.3141   11.665   8.8593   0.8782   9.0013   64.844   21.595   47.300   20.121 17.54384 29.51626 
1 1 1   25   22    6 o  114.792   10.795   36.730   6.6955   36.223   9.4863   37.233   9.4516  113.971   15.403  115.613   15.129 -1.641747 21.59064 
1 1 1   25   22    8 o  147.963   12.362   60.412   9.8838   0.0000   0.0000   60.412   9.8838  ?   ?   147.963   12.362      ?      ? 
1 1 1   25   22    9 o  107.332   11.277   33.059   6.2770   38.312   8.7121   27.388   9.0516  117.520   13.719   97.145   17.903 20.37500 22.55492 
1 1 1   25   22   10 o   90.899   13.142   23.868   6.3494   18.755   8.8016   29.417   9.1684   79.473   20.394  102.324   16.582 -22.85086 26.28407 
1 1 1   25   22   11 o  144.406   8.7271   57.594   6.7998   57.183   9.3519   58.055   9.9048  143.941   12.023  144.871   12.652 -0.9298553 17.45413 
1 1 1   25   22   12 f   81.394   14.189   19.791   6.3241   25.270   8.9393   14.301   8.9479   92.871   18.463   69.918   21.549 22.95370 28.37723 
1 1 1   25   22   13 o  169.587   8.7329   80.354   7.9226   87.995   10.849   71.622   11.598  178.658   11.237  160.516   13.371 18.14165 17.46586 
1 1 1   25   22   14 f  128.048   8.6478   45.214   5.9638   50.698   8.7462   40.448   8.1531  135.341   11.959  120.756   12.495 14.58518 17.29568 
1 1 1   25   22   15 o   50.142   18.773   5.7948   6.8620   0.0000   0.0000   5.7948   6.8620  ?   ?    50.142   18.773      ?      ? 
1 1 1   25   22   16 o  169.302   8.2642   78.422   7.5605   0.0000   0.0000   78.422   7.5605  ?   ?   169.302   8.2642      ?      ? 
1 1 1   25   22   17 o   81.067   15.549   19.109   6.5635   0.0000   0.0000   19.109   6.5635  ?   ?    81.067   15.549      ?      ? 
1 1 1   25   22   18 o  203.007   7.3801  112.538   8.0958   0.0000   0.0000  112.538   8.0958  ?   ?   203.007   7.3801      ?      ? 
1 1 1   25   22   19 o  134.650   9.1581   49.846   6.6635   0.0000   0.0000   49.846   6.6635  ?   ?   134.650   9.1581      ?      ? 
1 1 1   25   22   20 o   34.145   15.294  -2.0359   5.8199   0.0000   0.0000  -2.0359   5.8199  ?   ?    34.145   15.294      ?      ? 
1 1 1   25   22   21 o  126.889   9.7328   44.421   6.6735   0.0000   0.0000   44.421   6.6735  ?   ?   126.889   9.7328      ?      ? 
1 1 1   25   22   22 o  106.962   11.201   31.798   6.4737   0.0000   0.0000   31.798   6.4737  ?   ?   106.962   11.201      ?      ? 
1 1 1   25   22   23 o  164.931   7.8447   74.591   6.9915   0.0000   0.0000   74.591   6.9915  ?   ?   164.931   7.8447      ?      ? 
1 1 1   25   22   24 o  197.347   9.5423  107.680   10.176   0.0000   0.0000  107.680   10.176  ?   ?   197.347   9.5423      ?      ? 
1 1 1   25   22   25 o  173.717   7.5495   82.784   7.0868   0.0000   0.0000   82.784   7.0868  ?   ?   173.717   7.5495      ?      ? 
1 1 1   25   22   26 o   46.161   17.063   5.2772   5.6333   0.0000   0.0000   5.2772   5.6333  ?   ?    46.161   17.063      ?      ? 
1 1 1   25   22   27 o  138.256   8.5754   52.772   6.4065   0.0000   0.0000   52.772   6.4065  ?   ?   138.256   8.5754      ?      ? 
1 1 1   25   22   28 o  163.298   7.4938   73.252   6.6126   0.0000   0.0000   73.252   6.6126  ?   ?   163.298   7.4938      ?      ? 
1 1 1   25   22   29 o  197.086   6.8824  106.459   7.3296   0.0000   0.0000  106.459   7.3296  ?   ?   197.086   6.8824      ?      ? 
1 1 1   25   22   30 o  132.856   8.7675   48.922   6.2942   0.0000   0.0000   48.922   6.2942  ?   ?   132.856   8.7675      ?      ? 
1 1 1   25   22   31 o  112.869   14.239   36.873   8.6843   0.0000   0.0000   36.873   8.6843  ?   ?   112.869   14.239      ?      ? 
1 1 1   25   22   32 o   49.086   21.431   1.5204   10.740   0.0000   0.0000   1.5204   10.740  ?   ?    49.086   21.431      ?      ? 
1 1 1   25   22   33 o   85.677   23.735   25.613   11.367   0.0000   0.0000   25.613   11.367  ?   ?    85.677   23.735      ?      ? 
1 1 1   25   22   34 o   56.825   23.112   8.2778   11.131   0.0000   0.0000   8.2778   11.131  ?   ?    56.825   23.112      ?      ? 
1 1 1   25   22   35 o  155.520   15.042   71.439   12.641   0.0000   0.0000   71.439   12.641  ?   ?   155.520   15.042      ?      ? 
1 1 1   25   22   36 f   42.194   19.718  -6.2522   11.142   0.0000   0.0000  -6.2522   11.142  ?   ?    42.194   19.718      ?      ? 
1 1 1   25   22   37 o   75.767   24.462   21.980   11.406   0.0000   0.0000   21.980   11.406  ?   ?    75.767   24.462      ?      ? 
1 1 1   25   22   38 o   43.638   20.349  -2.9199   11.768   0.0000   0.0000  -2.9199   11.768  ?   ?    43.638   20.349      ?      ? 
1 1 1   25   22   39 o   77.723   25.411   23.731   12.288   0.0000   0.0000   23.731   12.288  ?   ?    77.723   25.411      ?      ? 
1 1 1   25   22   40 o   61.265   23.904   14.573   11.432   0.0000   0.0000   14.573   11.432  ?   ?    61.265   23.904      ?      ? 
1 1 1   25   23    0 o  232.236   7.1501  147.736   8.9663  140.093   12.493  155.856   12.877  226.007   10.229  238.464   9.9929 -12.45699 14.30020 
1 1 1   25   23    1 o  182.293   8.2245   91.591   8.0526  105.009   11.570   78.984   11.215  195.448   10.955  169.139   12.270 26.30936 16.44902 
1 1 1   25   23    2 o  121.826   10.628   41.556   6.9538   42.812   9.4252   40.055   10.301  124.097   14.055  119.554   15.946 4.542625 21.25591 
1 1 1   25   23    3 o  146.399   9.3474   59.265   7.3849   55.411   10.186   63.536   10.722  141.360   13.335  151.438   13.103 -10.07744 18.69487 
1 1 1   25   23    4 o  183.641   11.415   92.899   11.328   0.0000   0.0000   92.899   11.328  ?   ?   183.641   11.415      ?      ? 
1 1 1   25   23    5 o  134.762   9.5926   50.415   6.9771   47.142   9.7431   53.861   9.9961  130.197   13.849  139.326   13.277 -9.128738 19.18516 
1 1 1   25   23    6 o  212.418   10.608  124.057   12.177  124.057   12.177   0.0000   0.0000  212.418   10.608  ?   ?       ?      ? 
1 1 1   25   23    7 o   78.953   14.519   18.334   6.3796   13.103   8.7123   24.380   9.3676   67.250   21.345   90.657   19.686 -23.40675 29.03706 
1 1 1   25   23    8 o  111.133   10.661   34.620   6.4005   33.605   8.9506   35.682   9.1562  109.452   15.134  112.813   15.020 -3.361481 21.32186 
1 1 1   25   23    9 o   77.256   14.791   17.952   6.3291   18.535   8.8472   17.341   9.0580   78.548   20.592   75.963   21.239 2.584282 29.58292 
1 1 1   25   23   10 o  191.360   10.674  100.962   11.038   0.0000   0.0000  100.962   11.038  ?   ?   191.360   10.674      ?      ? 
1 1 1   25   23   11 o  145.609   8.8241   59.115   6.9185   62.659   9.6062   55.296   9.9727  150.366   11.823  140.852   13.103 9.514130 17.64812 
1 1 1   25   23   12 o   98.496   12.983   28.850   6.6547   35.878   9.2974   21.466   9.5291  112.816   15.251   84.176   21.015 28.64032 25.96556 
1 1 1   25   23   13 o  112.162   10.015   35.496   5.9864   33.851   9.1211   36.740   7.9344  109.485   15.417  114.839   12.786 -5.354057 20.02934 
1 1 1   25   23   14 o   80.930   14.415   19.843   6.2550   20.029   8.2401   19.590   9.6086   81.761   19.011   80.099   21.673 1.661926 28.82938 
1 1 1   25   23   15 f   28.808   13.802  -8.1022   6.1476   0.0000   0.0000  -8.1022   6.1476  ?   ?    28.808   13.802      ?      ? 
1 1 1   25   23   16 o   87.277   13.905   21.446   6.5579   0.0000   0.0000   21.446   6.5579  ?   ?    87.277   13.905      ?      ? 
1 1 1   25   23   17 o  158.370   17.050   72.145   14.591   0.0000   0.0000   72.145   14.591  ?   ?   158.370   17.050      ?      ? 
1 1 1   25   23   18 o  251.578   7.6964  173.280   10.463   0.0000   0.0000  173.280   10.463  ?   ?   251.578   7.6964      ?      ? 
1 1 1   25   23   19 o  110.297   11.541   33.883   6.8785   0.0000   0.0000   33.883   6.8785  ?   ?   110.297   11.541      ?      ? 
1 1 1   25   23   20 o   41.055   16.975   1.9942   6.1317   0.0000   0.0000   1.9942   6.1317  ?   ?    41.055   16.975      ?      ? 
1 1 1   25   23   21 o   70.291   16.487   14.789   6.1538   0.0000   0.0000   14.789   6.1538  ?   ?    70.291   16.487      ?      ? 
1 1 1   25   23   22 o  156.916   8.4140   67.787   7.1344   0.0000   0.0000   67.787   7.1344  ?   ?   156.916   8.4140      ?      ? 
1 1 1   25   23   23 o   93.536   12.545   24.680   6.3405   0.0000   0.0000   24.680   6.3405  ?   ?    93.536   12.545      ?      ? 
1 1 1   25   23   24 o   77.099   15.305   17.659   6.1514   0.0000   0.0000   17.659   6.1514  ?   ?    77.099   15.305      ?      ? 
1 1 1   25   23   25 o   70.891   15.809   15.082   5.9018   0.0000   0.0000   15.082   5.9018  ?   ?    70.891   15.809      ?      ? 
1 1 1   25   23   26 o  104.898   10.987   30.800   6.2280   0.0000   0.0000   30.800   6.2280  ?   ?   104.898   10.987      ?      ? 
1 1 1   25   23   27 o   72.293   15.680   15.711   5.9491   0.0000   0.0000   15.711   5.9491  ?   ?    72.293   15.680      ?      ? 
1 1 1   25   23   28 o  159.649   8.1587   70.450   7.0384   0.0000   0.0000   70.450   7.0384  ?   ?   159.649   8.1587      ?      ? 
1 1 1   25   23   29 o   88.292   12.117   22.151   5.7811   0.0000   0.0000   22.151   5.7811  ?   ?    88.292   12.117      ?      ? 
1 1 1   25   23   30 o  160.256   7.7248   70.974   6.6894   0.0000   0.0000   70.974   6.6894  ?   ?   160.256   7.7248      ?      ? 
1 1 1   25   23   31 o   49.381   17.071   7.1771   5.5424   0.0000   0.0000   7.1771   5.5424  ?   ?    49.381   17.071      ?      ? 
1 1 1   25   23   32 o   41.728   16.671   3.5484   5.6794   0.0000   0.0000   3.5484   5.6794  ?   ?    41.728   16.671      ?      ? 
1 1 1   25   23   33 o   58.510   17.532   10.686   5.9798   0.0000   0.0000   10.686   5.9798  ?   ?    58.510   17.532      ?      ? 
1 1 1   25   23   34 o   39.983   16.435   2.5557   5.7038   0.0000   0.0000   2.5557   5.7038  ?   ?    39.983   16.435      ?      ? 
1 1 1   25   23   35 o  125.400   8.9823   44.461   6.0866   0.0000   0.0000   44.461   6.0866  ?   ?   125.400   8.9823      ?      ? 
1 1 1   25   23   36 o  107.642   10.175   33.464   5.9183   0.0000   0.0000   33.464   5.9183  ?   ?   107.642   10.175      ?      ? 
1 1 1   25   23   37 o   53.508   16.974   9.2010   5.5104   0.0000   0.0000   9.2010   5.5104  ?   ?    53.508   16.974      ?      ? 
1 1 1   25   23   38 o   39.552   15.996   3.5120   5.2985   0.0000   0.0000   3.5120   5.2985  ?   ?    39.552   15.996      ?      ? 
1 1 1   25   24    0 o  152.721   9.5584   65.090   7.8813   61.658   11.076   68.609   11.217  148.541   13.800  156.902   13.230 -8.360733 19.11685 
1 1 1   25   24    2 o  244.844   10.099  164.991   13.362   0.0000   0.0000  164.991   13.362  ?   ?   244.844   10.099      ?      ? 
1 1 1   25   24    4 o  111.860   11.791   35.464   7.1012   31.545   9.8093   39.780   10.294  105.187   17.258  118.534   16.071 -13.34789 23.58180 
1 1 1   25   24    5 o   95.321   13.292   27.535   6.6376   36.338   9.2039   17.995   9.5815  113.614   14.992   77.028   21.953 36.58657 26.58361 
1 1 1   25   24    6 o   78.498   14.558   18.691   6.2884   21.016   8.7331   16.187   9.0623   83.684   19.648   73.312   21.487 10.37173 29.11658 
1 1 1   25   24    7 o   81.625   14.038   19.902   6.2087   15.093   8.5330   25.312   9.0506   70.945   20.867   92.305   18.784 -21.35954 28.07618 
1 1 1   25   24    8 o   47.867   13.945   2.4021   6.0263   6.0458   8.0504  -2.2423   9.0889   52.508   20.177   43.226   19.255 9.281528 27.89018 
1 1 1   25   24    9 o  167.401   7.9993   77.723   7.2304   80.390   10.164   74.991   10.287  170.411   11.038  164.391   11.581 6.020538 15.99857 
1 1 1   25   24   10 o   96.020   12.803   27.325   6.3911   27.337   8.8052   27.313   9.2912   96.273   17.573   95.767   18.625 0.5054398 25.60678 
1 1 1   25   24   11 o  113.150   10.637   36.556   6.4460   40.748   8.9588   32.057   9.2818  120.355   13.775  105.946   16.213 14.40870 21.27475 
1 1 1   25   24   12 o  132.873   9.0000   49.612   6.2414   48.581   10.167   50.235   7.9067  131.139   14.347  134.607   10.870 -3.468353 17.99998 
1 1 1   25   24   13 o   92.690   11.564   25.337   5.4870   23.108   8.6476   26.839   7.0991   87.663   18.818   97.718   13.444 -10.05555 23.12732 
1 1 1   25   24   15 o  101.188   16.326   29.376   8.9270   0.0000   0.0000   29.376   8.9270  ?   ?   101.188   16.326      ?      ? 
1 1 1   25   24   16 o  101.962   12.097   29.086   6.6650   0.0000   0.0000   29.086   6.6650  ?   ?   101.962   12.097      ?      ? 
1 1 1   25   24   17 o   59.997   18.684   10.692   6.7067   0.0000   0.0000   10.692   6.7067  ?   ?    59.997   18.684      ?      ? 
1 1 1   25   24   18 o  145.256   9.3874   58.328   7.3683   0.0000   0.0000   58.328   7.3683  ?   ?   145.256   9.3874      ?      ? 
1 1 1   25   24   19 o  164.443   9.1345   74.724   8.1169   0.0000   0.0000   74.724   8.1169  ?   ?   164.443   9.1345      ?      ? 
1 1 1   25   24   20 o   43.893   17.707   3.3015   6.4744   0.0000   0.0000   3.3015   6.4744  ?   ?    43.893   17.707      ?      ? 
1 1 1   25   24   21 o  125.086   10.486   43.649   7.0877   0.0000   0.0000   43.649   7.0877  ?   ?   125.086   10.486      ?      ? 
1 1 1   25   24   22 o   91.779   13.086   23.924   6.4898   0.0000   0.0000   23.924   6.4898  ?   ?    91.779   13.086      ?      ? 
1 1 1   25   24   23 o   82.667   14.975   20.182   6.4433   0.0000   0.0000   20.182   6.4433  ?   ?    82.667   14.975      ?      ? 
1 1 1   25   24   24 o   43.835   17.283   3.8871   6.0288   0.0000   0.0000   3.8871   6.0288  ?   ?    43.835   17.283      ?      ? 
1 1 1   25   24   25 o   43.912   17.389   3.9179   6.1285   0.0000   0.0000   3.9179   6.1285  ?   ?    43.912   17.389      ?      ? 
1 1 1   25   24   26 o   71.327   16.720   15.606   6.3323   0.0000   0.0000   15.606   6.3323  ?   ?    71.327   16.720      ?      ? 
1 1 1   25   24   27 o   72.825   16.126   16.182   6.1783   0.0000   0.0000   16.182   6.1783  ?   ?    72.825   16.126      ?      ? 
1 1 1   25   24   28 o   48.155   17.751   6.3204   6.0893   0.0000   0.0000   6.3204   6.0893  ?   ?    48.155   17.751      ?      ? 
1 1 1   25   24   29 o   42.456   17.093   3.6243   6.0202   0.0000   0.0000   3.6243   6.0202  ?   ?    42.456   17.093      ?      ? 
1 1 1   25   24   30 f   55.030   17.831   9.3339   6.0563   0.0000   0.0000   9.3339   6.0563  ?   ?    55.030   17.831      ?      ? 
1 1 1   25   24   31 o   83.292   13.751   20.186   6.1891   0.0000   0.0000   20.186   6.1891  ?   ?    83.292   13.751      ?      ? 
1 1 1   25   24   32 o  173.433   7.8370   83.482   7.3447   0.0000   0.0000   83.482   7.3447  ?   ?   173.433   7.8370      ?      ? 
1 1 1   25   24   33 f   71.567   15.816   16.409   5.9535   0.0000   0.0000   16.409   5.9535  ?   ?    71.567   15.816      ?      ? 
1 1 1   25   24   34 o   91.649   12.223   24.893   6.0536   0.0000   0.0000   24.893   6.0536  ?   ?    91.649   12.223      ?      ? 
1 1 1   25   24   35 o  107.257   10.521   33.071   6.0980   0.0000   0.0000   33.071   6.0980  ?   ?   107.257   10.521      ?      ? 
1 1 1   25   24   36 o   41.366   16.420   4.2926   5.4759   0.0000   0.0000   4.2926   5.4759  ?   ?    41.366   16.420      ?      ? 
1 1 1   25   25    0 o   67.495   16.003   13.313   6.9050   14.974   9.8061   11.680   9.7246   70.593   22.670   64.397   22.593 6.196098 32.00609 
1 1 1   25   25    1 o  127.910   10.986   46.787   7.4975   55.049   10.622   38.583   10.584  139.810   14.059  116.010   16.884 23.80014 21.97159 
1 1 1   25   25    2 o  121.227   10.831   41.720   7.0866   41.666   9.7863   41.779   10.276  121.291   14.931  121.163   15.695 0.1280136 21.66266 
1 1 1   25   25    3 o   60.014   13.340   5.0820   6.5922   21.879   9.3205 -11.7309   9.3250   84.615   20.582   35.413   16.976 49.20143 26.67954 
1 1 1   25   25    4 o   68.747   13.007   10.516   6.2450  -3.1068   8.2941   28.349   9.4897   40.074   18.078   97.420   18.707 -57.34586 26.01431 
1 1 1   25   25    5 o   52.940   14.531   5.5181   5.9957   2.6443   7.9851   9.2322   9.0779   46.622   19.332   59.258   21.700 -12.63631 29.06187 
1 1 1   25   25    6 o  102.764   11.923   30.274   6.4084   24.886   8.5723   37.101   9.6485   91.415   17.994  114.113   15.647 -22.69748 23.84593 
1 1 1   25   25    7 o   65.723   14.905   12.516   6.3987   18.191   8.7737   6.0678   9.3522   77.067   20.651   54.379   21.498 22.68798 29.80978 
1 1 1   25   25    8 o   96.438   13.070   27.146   6.6274   20.548   8.9203   35.276   9.9015   81.983   20.254  110.893   16.524 -28.90993 26.13917 
1 1 1   25   25   10 o  116.159   11.503   39.967   6.8404   46.984   9.3388   31.845   10.048  129.171   13.379  103.147   18.716 26.02466 23.00642 
1 1 1   25   25   11 o  159.643   8.2707   70.937   7.1148   68.380   9.6438   73.990   10.539  156.627   11.394  162.658   11.991 -6.031082 16.54130 
1 1 1   25   25   12 o   61.233   14.088   10.082   5.4192   16.000   8.5921   6.1721   6.9833   72.009   20.870   50.457   18.929 21.55183 28.17572 
1 1 1   25   25   13 o   83.950   12.669   20.950   5.5562   25.090   8.3928   17.720   7.4134   91.518   17.611   76.382   18.217 15.13535 25.33744 
1 1 1   25   25   14 o   40.299   17.156   0.9319   6.5526   0.0000   0.0000   0.9319   6.5526  ?   ?    40.299   17.156      ?      ? 
1 1 1   25   25   15 o  152.264   12.328   65.258   10.144   0.0000   0.0000   65.258   10.144  ?   ?   152.264   12.328      ?      ? 
1 1 1   25   25   16 o  187.645   9.9210   97.795   10.060   0.0000   0.0000   97.795   10.060  ?   ?   187.645   9.9210      ?      ? 
1 1 1   25   25   17 o   76.488   16.728   17.659   6.7213   0.0000   0.0000   17.659   6.7213  ?   ?    76.488   16.728      ?      ? 
1 1 1   25   25   18 o  139.721   9.7760   54.253   7.3809   0.0000   0.0000   54.253   7.3809  ?   ?   139.721   9.7760      ?      ? 
1 1 1   25   25   19 f   90.253   13.634   23.223   6.6491   0.0000   0.0000   23.223   6.6491  ?   ?    90.253   13.634      ?      ? 
1 1 1   25   25   20 o   81.061   15.799   19.611   6.6715   0.0000   0.0000   19.611   6.6715  ?   ?    81.061   15.799      ?      ? 
1 1 1   25   25   21 o   60.460   18.399   11.176   6.5488   0.0000   0.0000   11.176   6.5488  ?   ?    60.460   18.399      ?      ? 
1 1 1   25   25   22 f  127.158   9.9293   45.170   6.8226   0.0000   0.0000   45.170   6.8226  ?   ?   127.158   9.9293      ?      ? 
1 1 1   25   25   23 o  101.233   12.277   29.155   6.7160   0.0000   0.0000   29.155   6.7160  ?   ?   101.233   12.277      ?      ? 
1 1 1   25   25   24 o   68.876   17.438   14.733   6.4965   0.0000   0.0000   14.733   6.4965  ?   ?    68.876   17.438      ?      ? 
1 1 1   25   25   25 o   61.873   18.256   12.105   6.5220   0.0000   0.0000   12.105   6.5220  ?   ?    61.873   18.256      ?      ? 
1 1 1   25   25   26 o   64.608   18.165   13.393   6.6066   0.0000   0.0000   13.393   6.6066  ?   ?    64.608   18.165      ?      ? 
1 1 1   25   25   27 o  112.387   11.338   36.016   6.8854   0.0000   0.0000   36.016   6.8854  ?   ?   112.387   11.338      ?      ? 
1 1 1   25   25   28 f  121.447   11.002   41.834   7.2201   0.0000   0.0000   41.834   7.2201  ?   ?   121.447   11.002      ?      ? 
1 1 1   25   25   29 o   79.480   16.238   19.435   6.7384   0.0000   0.0000   19.435   6.7384  ?   ?    79.480   16.238      ?      ? 
1 1 1   25   25   30 o   90.187   13.396   23.961   6.5287   0.0000   0.0000   23.961   6.5287  ?   ?    90.187   13.396      ?      ? 
1 1 1   25   25   31 o   37.167   16.082   1.3067   5.9370   0.0000   0.0000   1.3067   5.9370  ?   ?    37.167   16.082      ?      ? 
1 1 1   25   25   32 o   29.124   13.724  -4.5827   5.5966   0.0000   0.0000  -4.5827   5.5966  ?   ?    29.124   13.724      ?      ? 
1 1 1   25   25   33 o   33.994   15.214  -0.8308   5.7474   0.0000   0.0000  -0.8308   5.7474  ?   ?    33.994   15.214      ?      ? 
1 1 1   25   25   34 o  101.766   11.278   30.528   6.2022   0.0000   0.0000   30.528   6.2022  ?   ?   101.766   11.278      ?      ? 
1 1 1   25   26    0 o  146.305   9.7349   60.466   7.6883   60.386   10.636   60.554   11.127  146.349   13.449  146.261   14.078 0.8793640E-01 19.46978 
1 1 1   25   26    1 o  115.694   11.758   38.555   7.3439   36.320   10.239   40.923   10.539  112.124   16.900  119.263   16.353 -7.139519 23.51666 
1 1 1   25   26    2 o   66.677   14.489   11.341   6.9749   23.984   9.7521  -1.9009   9.9799   88.116   20.813   45.238   20.162 42.87873 28.97724 
1 1 1   25   26    3 o   93.955   14.100   26.986   6.9186   27.186   9.4089   26.751   10.209   94.797   19.029   93.114   20.813 1.683159 28.20057 
1 1 1   25   26    4 o  212.333   7.9101  125.593   9.0727  130.347   12.963  121.029   12.702  216.325   11.090  208.340   11.283 7.984940 15.82030 
1 1 1   25   26    5 o   81.933   14.996   20.979   6.6798   21.586   9.0306   20.245   9.9261   83.629   20.209   80.236   22.161 3.392250 29.99197 
1 1 1   25   26    6 o   82.295   15.080   21.165   6.7372   21.119   9.0596   21.223   10.077   82.555   20.421   82.034   22.194 0.5209274 30.15998 
1 1 1   25   26    7 o   74.292   14.069   17.032   6.4775   26.927   8.9463   6.1272   9.3911   94.551   18.170   54.033   21.485 40.51862 28.13861 
1 1 1   25   26    9 o   55.062   14.471   7.0777   6.2660   12.532   8.2105  -0.5294   9.6966   64.315   20.754   45.808   20.172 18.50690 28.94148 
1 1 1   25   26   10 o   45.901   13.006  -2.3727   6.1950   10.800   8.4362 -17.7889   9.1266   60.829   21.060   30.973   15.268 29.85570 26.01197 
1 1 1   25   26   11 o  114.679   10.204   36.420   6.2140   45.135   9.9646   30.873   7.9490  125.412   14.704  103.947   14.152 21.46518 20.40774 
1 1 1   25   26   12 o  114.136   10.150   36.098   6.1284   43.626   9.9934   31.560   7.7586  123.041   15.031  105.231   13.644 17.81026 20.29984 
1 1 1   25   26   13 o  104.655   12.820   31.045   7.2499   0.0000   0.0000   31.045   7.2499  ?   ?   104.655   12.820      ?      ? 
1 1 1   25   26   14 o   96.866   13.986   26.832   7.3207   0.0000   0.0000   26.832   7.3207  ?   ?    96.866   13.986      ?      ? 
1 1 1   25   26   15 o   92.120   17.909   25.751   8.5936   0.0000   0.0000   25.751   8.5936  ?   ?    92.120   17.909      ?      ? 
1 1 1   25   26   16 o   62.375   21.620   11.621   8.8921   0.0000   0.0000   11.621   8.8921  ?   ?    62.375   21.620      ?      ? 
1 1 1   25   26   17 o   70.818   18.169   15.520   6.9870   0.0000   0.0000   15.520   6.9870  ?   ?    70.818   18.169      ?      ? 
1 1 1   25   26   18 o  103.838   12.807   30.764   7.1858   0.0000   0.0000   30.764   7.1858  ?   ?   103.838   12.807      ?      ? 
1 1 1   25   26   19 o   56.187   19.030   9.4148   6.8794   0.0000   0.0000   9.4148   6.8794  ?   ?    56.187   19.030      ?      ? 
1 1 1   25   26   20 o   61.294   19.253   11.666   7.1045   0.0000   0.0000   11.666   7.1045  ?   ?    61.294   19.253      ?      ? 
1 1 1   25   26   21 o   77.813   17.050   18.701   6.9712   0.0000   0.0000   18.701   6.9712  ?   ?    77.813   17.050      ?      ? 
1 1 1   25   26   22 o   87.651   14.275   22.564   6.7612   0.0000   0.0000   22.564   6.7612  ?   ?    87.651   14.275      ?      ? 
1 1 1   25   26   23 o   58.971   18.596   11.071   6.6209   0.0000   0.0000   11.071   6.6209  ?   ?    58.971   18.596      ?      ? 
1 1 1   25   26   24 o   43.640   17.809   3.5381   6.6370   0.0000   0.0000   3.5381   6.6370  ?   ?    43.640   17.809      ?      ? 
1 1 1   25   26   25 o   65.457   18.476   13.647   6.8205   0.0000   0.0000   13.647   6.8205  ?   ?    65.457   18.476      ?      ? 
1 1 1   25   26   26 o   61.865   18.676   12.140   6.7672   0.0000   0.0000   12.140   6.7672  ?   ?    61.865   18.676      ?      ? 
1 1 1   25   26   27 o   67.121   18.081   14.553   6.7053   0.0000   0.0000   14.553   6.7053  ?   ?    67.121   18.081      ?      ? 
1 1 1   25   26   28 o   53.517   18.443   9.4619   6.4662   0.0000   0.0000   9.4619   6.4662  ?   ?    53.517   18.443      ?      ? 
1 1 1   25   26   29 o   36.905   16.361   0.1594   6.4844   0.0000   0.0000   0.1594   6.4844  ?   ?    36.905   16.361      ?      ? 
1 1 1   25   26   30 o   46.109   17.765   5.7832   6.2524   0.0000   0.0000   5.7832   6.2524  ?   ?    46.109   17.765      ?      ? 
1 1 1   25   26   31 o   49.420   18.044   7.6821   6.2702   0.0000   0.0000   7.6821   6.2702  ?   ?    49.420   18.044      ?      ? 
1 1 1   25   26   32 o   97.322   12.402   28.516   6.5220   0.0000   0.0000   28.516   6.5220  ?   ?    97.322   12.402      ?      ? 
1 1 1   25   27    0 o   70.893   22.029   7.1124   16.556  -8.2793   28.684   14.802   20.274   67.003   31.415   74.783   30.889 -7.779831 44.05721 
1 1 1   25   27    1 o   81.332   17.593   25.235   10.128 -20.4595   26.837   32.823   10.937   59.737   28.679  102.927   20.385 -43.18940 35.18539 
1 1 1   25   27    2 o  118.577   11.716   41.081   7.4330   34.430   10.375   48.096   10.655  108.036   17.771  129.117   15.271 -21.08150 23.43127 
1 1 1   25   27    3 o   66.604   15.740   13.215   6.7773   9.2821   9.2389   17.796   9.9721   58.554   21.810   74.654   22.702 -16.10046 31.48086 
1 1 1   25   27    4 o   82.019   15.182   21.207   6.8203   18.357   9.2912   24.538   10.043   76.017   21.602   88.022   21.338 -12.00489 30.36322 
1 1 1   25   27    5 o   56.030   15.347   7.6871   6.6544   9.0618   8.9610   5.9970   9.9359   57.828   21.492   54.233   21.915 3.594810 30.69444 
1 1 1   25   27    6 o   59.428   15.629   9.6916   6.7026   9.1978   9.3552   10.212   9.6076   58.449   21.912   60.407   22.292 -1.958145 31.25854 
1 1 1   25   27    7 o   60.273   15.161   9.3753   6.4351   4.3088   8.5563   15.973   9.7640   49.512   20.214   71.034   22.602 -21.52171 30.32259 
1 1 1   25   27    8 o   95.739   13.421   28.033   6.6647   27.383   8.9374   28.848   10.003   94.970   18.076   96.507   19.845 -1.536537 26.84295 
1 1 1   25   27    9 o   62.281   15.601   11.430   6.6431   13.410   8.7311   8.7081   10.237   65.921   21.414   58.641   22.693 7.280384 31.20101 
1 1 1   25   27   10 o  106.055   10.457   31.656   5.9212   39.077   9.1551   26.320   7.7637  116.612   14.529   95.497   15.045 21.11501 20.91495 
1 1 1   25   27   11 o   47.787   13.653   1.6898   5.7090   9.9392   9.0380  -3.7870   7.3643   59.286   21.661   36.288   16.627 22.99831 27.30637 
1 1 1   25   27   12 o   46.106   19.053   3.2667   7.7187   0.0000   0.0000   3.2667   7.7187  ?   ?    46.106   19.053      ?      ? 
1 1 1   25   27   13 o   79.478   17.511   19.429   7.3176   0.0000   0.0000   19.429   7.3176  ?   ?    79.478   17.511      ?      ? 
1 1 1   25   27   14 o   34.874   15.934  -3.1710   6.6993   0.0000   0.0000  -3.1710   6.6993  ?   ?    34.874   15.934      ?      ? 
1 1 1   25   27   15 o   41.220   17.771   0.8336   7.1959   0.0000   0.0000   0.8336   7.1959  ?   ?    41.220   17.771      ?      ? 
1 1 1   25   27   16 o   58.752   21.283   10.144   8.6988   0.0000   0.0000   10.144   8.6988  ?   ?    58.752   21.283      ?      ? 
1 1 1   25   27   17 f   43.465   19.413  -1.0095   9.3045   0.0000   0.0000  -1.0095   9.3045  ?   ?    43.465   19.413      ?      ? 
1 1 1   25   27   18 o   43.944   18.318   3.0051   7.2245   0.0000   0.0000   3.0051   7.2245  ?   ?    43.944   18.318      ?      ? 
1 1 1   25   27   19 o   43.903   18.252   3.1911   7.1448   0.0000   0.0000   3.1911   7.1448  ?   ?    43.903   18.252      ?      ? 
1 1 1   25   27   20 o   97.947   13.538   27.996   7.1651   0.0000   0.0000   27.996   7.1651  ?   ?    97.947   13.538      ?      ? 
1 1 1   25   27   21 f   24.272   12.164 -17.9092   6.8333   0.0000   0.0000 -17.9092   6.8333  ?   ?    24.272   12.164      ?      ? 
1 1 1   25   27   22 o  150.137   9.8761   63.322   8.0123   0.0000   0.0000   63.322   8.0123  ?   ?   150.137   9.8761      ?      ? 
1 1 1   25   27   23 o  152.554   9.4461   65.242   7.7869   0.0000   0.0000   65.242   7.7869  ?   ?   152.554   9.4461      ?      ? 
1 1 1   25   27   24 o  100.024   13.318   29.426   7.1982   0.0000   0.0000   29.426   7.1982  ?   ?   100.024   13.318      ?      ? 
1 1 1   25   27   25 o   55.280   18.924   10.315   6.8038   0.0000   0.0000   10.315   6.8038  ?   ?    55.280   18.924      ?      ? 
1 1 1   25   27   26 o   27.002   13.182  -9.5075   6.3095   0.0000   0.0000  -9.5075   6.3095  ?   ?    27.002   13.182      ?      ? 
1 1 1   25   27   27 o   58.965   18.494   11.564   6.5579   0.0000   0.0000   11.564   6.5579  ?   ?    58.965   18.494      ?      ? 
1 1 1   25   27   28 o   43.909   17.680   4.6956   6.4425   0.0000   0.0000   4.6956   6.4425  ?   ?    43.909   17.680      ?      ? 
1 1 1   25   27   29 o   38.520   16.648   1.8413   6.3463   0.0000   0.0000   1.8413   6.3463  ?   ?    38.520   16.648      ?      ? 
1 1 1   25   28    0 f   54.950   15.720   6.3402   7.2181   6.9766   9.6196   5.5203   10.919   55.051   21.791   54.850   22.663 0.2006874 31.43993 
1 1 1   25   28    1 o   86.875   23.551   19.288   16.141   51.982   27.022   1.1536   20.125  111.115   37.716   62.635   28.216 48.48079 47.10215 
1 1 1   25   28    2 o   58.172   19.631 -15.7699   16.554  -5.6126   26.533 -22.2432   21.182   65.099   30.424   51.244   24.818 13.85552 39.26222 
1 1 1   25   28    3 o   77.502   22.170   17.632   15.885  -4.7883   26.642   30.000   19.788   65.400   30.538   89.604   32.147 -24.20396 44.33969 
1 1 1   25   28    4 o  143.511   19.682   49.339   11.143  114.459   30.612   39.392   11.964  175.001   33.593  112.020   20.520 62.98130 39.36444 
1 1 1   25   28    5 o  131.796   11.304   51.996   7.8262   62.463   10.808   40.458   11.347  147.509   13.559  116.082   18.090 31.42689 22.60777 
1 1 1   25   28    6 o   53.281   15.390   5.3904   7.0194   2.9147   9.4137   8.4907   10.534   48.636   20.629   57.926   22.843 -9.290031 30.77960 
1 1 1   25   28    8 o  186.501   8.4632   97.977   8.4919   86.755   11.504  111.412   12.587  174.689   12.187  198.312   11.746 -23.62372 16.92637 
1 1 1   25   28    9 o  125.868   11.422   46.635   7.6607   37.455   10.549   56.879   11.143  111.898   17.446  139.839   14.747 -27.94078 22.84376 
1 1 1   25   28   10 o   51.858   14.465   6.1565   5.8470   7.5788   9.4073   5.2611   7.4637   55.102   21.632   48.614   19.210 6.487888 28.93045 
1 1 1   25   28   11 f  125.354   9.7811   43.815   6.4578   53.153   10.688   38.446   8.1045  134.979   14.654  115.730   12.960 19.24826 19.56214 
1 1 1   25   28   12 o   43.612   18.023   3.0717   6.9078   0.0000   0.0000   3.0717   6.9078  ?   ?    43.612   18.023      ?      ? 
1 1 1   25   28   13 o   46.249   18.772   4.3598   7.3252   0.0000   0.0000   4.3598   7.3252  ?   ?    46.249   18.772      ?      ? 
1 1 1   25   28   14 o   74.862   18.925   18.166   7.6598   0.0000   0.0000   18.166   7.6598  ?   ?    74.862   18.925      ?      ? 
1 1 1   25   28   15 o   46.232   18.886   4.2676   7.4739   0.0000   0.0000   4.2676   7.4739  ?   ?    46.232   18.886      ?      ? 
1 1 1   25   28   16 o   57.423   19.782   10.229   7.4390   0.0000   0.0000   10.229   7.4390  ?   ?    57.423   19.782      ?      ? 
1 1 1   25   28   17 o   48.239   20.875   2.3429   10.004   0.0000   0.0000   2.3429   10.004  ?   ?    48.239   20.875      ?      ? 
1 1 1   25   28   18 o   52.018   19.945   7.1614   7.8554   0.0000   0.0000   7.1614   7.8554  ?   ?    52.018   19.945      ?      ? 
1 1 1   25   28   19 o   81.993   18.190   21.274   7.8484   0.0000   0.0000   21.274   7.8484  ?   ?    81.993   18.190      ?      ? 
1 1 1   25   28   20 o   40.951   17.797   1.0167   7.3344   0.0000   0.0000   1.0167   7.3344  ?   ?    40.951   17.797      ?      ? 
1 1 1   25   28   21 o   46.984   18.716   5.8229   7.1376   0.0000   0.0000   5.8229   7.1376  ?   ?    46.984   18.716      ?      ? 
1 1 1   25   28   22 o   36.962   16.674  -0.7088   7.0556   0.0000   0.0000  -0.7088   7.0556  ?   ?    36.962   16.674      ?      ? 
1 1 1   25   28   23 o   52.559   18.996   8.8108   6.9238   0.0000   0.0000   8.8108   6.9238  ?   ?    52.559   18.996      ?      ? 
1 1 1   25   28   24 o   56.424   18.806   10.510   6.7182   0.0000   0.0000   10.510   6.7182  ?   ?    56.424   18.806      ?      ? 
1 1 1   25   28   25 o   71.623   18.028   17.366   6.9724   0.0000   0.0000   17.366   6.9724  ?   ?    71.623   18.028      ?      ? 
1 1 1   25   28   26 o   58.126   19.023   11.966   6.8853   0.0000   0.0000   11.966   6.8853  ?   ?    58.126   19.023      ?      ? 
1 1 1   25   29    0 o   66.950   16.481   14.397   7.5678   18.597   10.272   9.4113   11.192   74.514   23.110   59.385   23.505 15.12920 32.96267 
1 1 1   25   29    1 o   73.736   15.683   18.568   7.4439   25.640   9.7184   8.5305   11.579   89.016   20.611   58.457   23.645 30.55894 31.36684 
1 1 1   25   29    2 o   58.155   15.357   9.1598   7.0962   15.183   9.2482   0.5369   11.066   67.996   22.035   48.314   21.398 19.68216 30.71483 
1 1 1   25   29    3 o   41.731   13.352  -3.5937   6.8395   2.6098   8.5836 -14.3814   11.319   46.129   19.637   37.334   18.096 8.795578 26.70301 
1 1 1   25   29    4 o   46.618   16.183  -9.8262   8.4585 -10.1496   9.0632  -7.6419   23.551   34.751   16.679   58.486   27.737 -23.73446 32.36580 
1 1 1   25   29    5 o  119.272   24.619   61.246   17.184   78.761   25.706   47.095   23.106  136.491   34.759  102.053   34.875 34.43738 49.23870 
1 1 1   25   29    6 o  106.846   24.152   51.654   17.712   27.568   25.216   75.113   24.885   80.584   33.948  133.108   34.362 -52.52309 48.30345 
1 1 1   25   29    7 o   74.746   22.792   19.072   17.359   5.9797   24.964   31.329   24.154   65.768   30.310   83.724   34.048 -17.95619 45.58430 
1 1 1   25   29    8 o   89.040   21.393   29.448   10.570   37.973   26.146   27.783   11.557   88.899   35.681   89.181   23.610 -0.2821579 42.78510 
1 1 1   25   29    9 o   65.230   15.636   13.997   6.4402   14.023   10.696   13.982   8.0664   65.175   23.602   65.285   20.517 -0.1098709 31.27247 
1 1 1   25   29   10 f   47.594   14.323   2.7730   6.6292  -2.5968   10.601   6.2218   8.4953   44.140   20.119   51.048   20.392 -6.908787 28.64576 
1 1 1   25   29   11 o   29.614   14.649 -17.1262   8.6634   0.0000   0.0000 -17.1262   8.6634  ?   ?    29.614   14.649      ?      ? 
1 1 1   25   29   12 o  110.267   14.647   35.737   8.7275   0.0000   0.0000   35.737   8.7275  ?   ?   110.267   14.647      ?      ? 
1 1 1   25   29   13 o  120.618   15.138   42.973   9.8668   0.0000   0.0000   42.973   9.8668  ?   ?   120.618   15.138      ?      ? 
1 1 1   25   29   14 o   25.387   12.738 -20.2241   7.6099   0.0000   0.0000 -20.2241   7.6099  ?   ?    25.387   12.738      ?      ? 
1 1 1   25   29   15 o   52.789   19.648   8.0727   7.4955   0.0000   0.0000   8.0727   7.4955  ?   ?    52.789   19.648      ?      ? 
1 1 1   25   29   16 o   40.105   17.636   0.6632   7.3898   0.0000   0.0000   0.6632   7.3898  ?   ?    40.105   17.636      ?      ? 
1 1 1   25   29   17 o   42.667   18.946   1.3054   8.7293   0.0000   0.0000   1.3054   8.7293  ?   ?    42.667   18.946      ?      ? 
1 1 1   25   29   18 o   50.693   21.136   6.9995   9.6214   0.0000   0.0000   6.9995   9.6214  ?   ?    50.693   21.136      ?      ? 
1 1 1   25   29   19 o   42.281   17.931   2.8507   7.1109   0.0000   0.0000   2.8507   7.1109  ?   ?    42.281   17.931      ?      ? 
1 1 1   25   29   20 o   71.214   18.451   16.953   7.1578   0.0000   0.0000   16.953   7.1578  ?   ?    71.214   18.451      ?      ? 
1 1 1   25   29   21 o   39.037   17.106   1.0298   6.8982   0.0000   0.0000   1.0298   6.8982  ?   ?    39.037   17.106      ?      ? 
1 1 1   25   29   22 o   74.636   18.409   19.259   7.3784   0.0000   0.0000   19.259   7.3784  ?   ?    74.636   18.409      ?      ? 
1 1 1   25   30    0 o   56.168   14.862   5.2467   7.6942   17.985   10.010 -13.1466   12.029   72.866   22.848   39.469   19.013 33.39684 29.72375 
1 1 1   25   30    1 o   58.955   16.476   8.8748   7.7766   5.1379   10.256   13.929   11.928   52.089   21.779   65.821   24.729 -13.73169 32.95244 
1 1 1   25   30    2 o   87.339   14.777   26.938   7.9987   40.110   10.539   9.0462   12.284  115.281   16.919   59.397   24.232 55.88400 29.55393 
1 1 1   25   30    3 o  155.699   10.976   75.048   8.7041   92.640   11.682   53.098   13.050  179.956   12.014  131.442   18.373 48.51346 21.95193 
1 1 1   25   30    5 o   87.100   16.342   25.319   7.7510   22.003   10.128   30.006   12.042   80.730   22.419   93.471   23.784 -12.74059 32.68402 
1 1 1   25   30    6 o   95.368   15.370   29.467   7.6861   24.816   10.028   36.092   11.967   86.336   21.559  104.399   21.912 -18.06312 30.73964 
1 1 1   25   30    7 o   42.922   13.755  -3.3420   7.2235   2.6969   9.3516 -12.2752   11.374   47.352   20.335   38.492   18.528 8.860275 27.51011 
1 1 1   25   30    8 f   44.831   14.455  -2.2686   7.7428  -0.7579   11.234  -3.6357   10.686   46.605   21.030   43.057   19.838 3.548637 28.91073 
1 1 1   25   30    9 o   75.438   25.376   21.382   12.232   0.0000   0.0000   21.382   12.232  ?   ?    75.438   25.376      ?      ? 
1 1 1   25   30   10 o   52.225   22.517   5.8880   11.554   0.0000   0.0000   5.8880   11.554  ?   ?    52.225   22.517      ?      ? 
1 1 1   25   30   11 o   37.831   18.318 -11.2310   11.526   0.0000   0.0000 -11.2310   11.526  ?   ?    37.831   18.318      ?      ? 
1 1 1   25   30   12 f   58.720   23.834   12.349   11.809   0.0000   0.0000   12.349   11.809  ?   ?    58.720   23.834      ?      ? 
1 1 1   25   30   13 o   33.488   15.749  -4.8434   7.3035   0.0000   0.0000  -4.8434   7.3035  ?   ?    33.488   15.749      ?      ? 
1 1 1   25   30   14 o   43.366   18.432   3.0314   7.5416   0.0000   0.0000   3.0314   7.5416  ?   ?    43.366   18.432      ?      ? 
1 1 1   25   30   15 o   63.084   20.050   13.678   7.6850   0.0000   0.0000   13.678   7.6850  ?   ?    63.084   20.050      ?      ? 
1 1 1   25   30   16 o   79.580   18.155   21.107   7.6345   0.0000   0.0000   21.107   7.6345  ?   ?    79.580   18.155      ?      ? 
1 1 1   25   30   17 o   38.579   17.227   0.2086   7.3230   0.0000   0.0000   0.2086   7.3230  ?   ?    38.579   17.227      ?      ? 
1 1 1   25   30   18 o   41.880   19.115  -0.2322   9.6117   0.0000   0.0000  -0.2322   9.6117  ?   ?    41.880   19.115      ?      ? 
1 1 1   25   31    0 o   71.015   17.694   21.394   8.8340   24.910   11.177   15.541   14.421   79.301   24.016   62.730   25.992 16.57165 35.38842 
1 1 1   25   31    1 o   51.369   15.645   5.1363   8.5776   12.525   10.937  -6.6712   13.826   58.854   23.254   43.884   20.937 14.96922 31.29086 
1 1 1   25   31    2 o   52.690   16.024   0.5915   8.5829 -10.7928   10.763   20.480   14.225   36.548   17.698   68.832   26.719 -32.28395 32.04848 
1 1 1   25   31    3 o   57.331   16.866   10.901   8.6378   12.570   10.801   7.9392   14.389   59.200   23.197   55.462   24.490 3.737179 33.73234 
1 1 1   25   31    4 o   97.089   16.405   38.446   9.1945   47.883   11.663   22.950   14.945  121.555   17.756   72.624   27.590 48.93101 32.80997 
1 1 1   25   31    5 o   39.163   13.437 -11.9390   8.4184 -13.6013   10.609  -9.1126   13.833   35.079   17.118   43.247   20.716 -8.167824 26.87398 
1 1 1   25   31    6 o   63.829   16.916   14.775   8.5726   20.520   10.854   5.2477   13.977   73.665   23.871   53.993   23.974 19.67181 33.83164 
1 1 1   25   31    7 o   72.991   18.083   20.193   8.5416   17.797   10.664   24.482   14.268   69.117   23.691   76.864   27.327 -7.746681 36.16693 
1 1 1   25   31    8 o  122.615   14.420   49.235   9.0060   45.315   11.241   56.261   15.050  119.427   17.418  125.803   22.986 -6.375694 28.84005 
1 1 1   25   31    9 o   45.387   14.645  -0.7375   7.3100  -2.8401   8.7765   4.0248   13.209   38.892   17.940   51.881   23.154 -12.98880 29.29073 
1 1 1   25   31   10 o   37.960   18.076  -7.1501   10.204   0.0000   0.0000  -7.1501   10.204  ?   ?    37.960   18.076      ?      ? 
1 1 1   25   31   11 o   50.771   21.762   6.5635   10.674   0.0000   0.0000   6.5635   10.674  ?   ?    50.771   21.762      ?      ? 
1 1 1   25   31   12 o   57.992   26.939   9.4459   20.311   0.0000   0.0000   9.4459   20.311  ?   ?    57.992   26.939      ?      ? 
1 1 1   25   32    0 o   49.412   15.086   5.6669   7.5455   9.1481   9.9292   0.9089   11.608   53.092   21.737   45.732   20.925 7.359863 30.17213 
1 1 1   25   32    1 o   48.678   15.133   4.9103   7.6231   4.1442   10.091   5.9286   11.634   46.983   20.636   50.372   22.140 -3.388321 30.26631 
1 1 1   25   32    2 o   61.279   16.733   15.017   7.9451   16.688   10.341   12.609   12.413   64.499   23.229   58.060   24.091 6.439209 33.46561 
1 1 1   25   32    3 o   53.055   15.755   8.7244   7.8975   12.340   10.186   3.2735   12.506   57.542   22.533   48.567   22.026 8.974545 31.51022 
1 1 1   26    0    1 o  586.754   10.729  933.333   48.034  933.333   48.034  933.333   48.034  586.754   15.173  586.754   15.173 0.000000 0.000000 
1 1 1   26    0    2 o  713.130   8.8521  1376.58   48.208  1376.58   48.208  1376.58   48.208  713.130   12.519  713.130   12.519 0.000000 0.000000 
1 1 1   26    0    3 o  299.446   5.0135  242.747   11.458  242.747   11.458  242.747   11.458  299.446   7.0902  299.446   7.0902 0.000000 0.000000 
1 1 1   26    0    4 o  279.252   4.9208  211.145   10.486  211.145   10.486  211.145   10.486  279.252   6.9590  279.252   6.9590 0.000000 0.000000 
1 1 1   26    0    5 o  254.011   4.8822  174.762   9.4612  174.762   9.4612  174.762   9.4612  254.011   6.9045  254.011   6.9045 0.000000 0.000000 
1 1 1   26    0    6 f   69.980   12.110   15.401   5.6095   15.401   5.6095   15.401   5.6095   69.980   17.126   69.980   17.126 0.000000 0.000000 
1 1 1   26    0    8 o  389.109   5.6174  409.755   16.688  409.755   16.688  409.755   16.688  389.109   7.9442  389.109   7.9442 0.000000 0.000000 
1 1 1   26    0   10 o  494.191   6.5714  660.945   24.797  660.945   24.797  660.945   24.797  494.191   9.2933  494.191   9.2933 0.000000 0.000000 
1 1 1   26    0   11 o  543.927   7.0745  800.713   29.384  800.713   29.384  800.713   29.384  543.927   10.005  543.927   10.005 0.000000 0.000000 
1 1 1   26    0   12 f  146.078   5.8563   58.235   6.4894   58.235   6.4894   58.235   6.4894  146.078   8.2821  146.078   8.2821 0.000000 0.000000 
1 1 1   26    0   13 o  577.958   7.4305  904.143   32.794  904.143   32.794  904.143   32.794  577.958   10.508  577.958   10.508 0.000000 0.000000 
1 1 1   26    0   14 o  257.127   4.9577  179.101   9.7253  179.101   9.7253  179.101   9.7253  257.127   7.0113  257.127   7.0113 0.000000 0.000000 
1 1 1   26    0   20 o  192.814   5.0787  100.931   7.4597  100.931   7.4597  100.931   7.4597  192.814   7.1823  192.814   7.1823 0.000000 0.000000 
1 1 1   26    0   21 o  181.057   4.4034   88.931   6.0763   88.931   6.0763   88.931   6.0763  181.057   6.2273  181.057   6.2273 0.000000 0.000000 
1 1 1   26    0   22 o  268.518   4.5345  195.255   9.2928  195.255   9.2928  195.255   9.2928  268.518   6.4128  268.518   6.4128 0.000000 0.000000 
1 1 1   26    0   23 o  406.786   5.5993  448.034   17.391  448.034   17.391  448.034   17.391  406.786   7.9185  406.786   7.9185 0.000000 0.000000 
1 1 1   26    0   24 o  188.939   4.4092   96.831   6.3505   96.831   6.3505   96.831   6.3505  188.939   6.2355  188.939   6.2355 0.000000 0.000000 
1 1 1   26    0   26 o   24.301   10.887   0.5650   4.3628   0.5650   4.3628   0.5650   4.3628   24.301   15.396   24.301   15.396 0.000000 0.000000 
1 1 1   26    0   27 o  174.625   4.7007   82.834   6.2524   82.834   6.2524   82.834   6.2524  174.625   6.6478  174.625   6.6478 0.000000 0.000000 
1 1 1   26    0   31 o   22.844   10.633  -0.8780   4.7257  -0.8780   4.7257  -0.8780   4.7257   22.844   15.038   22.844   15.038 0.000000 0.000000 
1 1 1   26    0   32 o   42.842   13.817   7.2934   4.9142   7.2934   4.9142   7.2934   4.9142   42.842   19.540   42.842   19.540 0.000000 0.000000 
1 1 1   26    0   33 o  119.605   6.2381   39.409   5.6304   39.409   5.6304   39.409   5.6304  119.605   8.8220  119.605   8.8220 0.000000 0.000000 
1 1 1   26    0   34 o   64.940   12.201   13.669   5.2315   13.669   5.2315   13.669   5.2315   64.940   17.255   64.940   17.255 0.000000 0.000000 
1 1 1   26    0   35 o   94.497   7.7616   25.227   5.4077   25.227   5.4077   25.227   5.4077   94.497   10.977   94.497   10.977 0.000000 0.000000 
1 1 1   26    0   37 o  140.018   5.8286   53.752   6.1871   53.752   6.1871   53.752   6.1871  140.018   8.2428  140.018   8.2428 0.000000 0.000000 
1 1 1   26    0   39 o  120.825   6.4698   40.363   5.8951   40.363   5.8951   40.363   5.8951  120.825   9.1497  120.825   9.1497 0.000000 0.000000 
1 1 1   26    0   41 o   74.359   11.398   17.161   5.6786   17.161   5.6786   17.161   5.6786   74.359   16.120   74.359   16.120 0.000000 0.000000 
1 1 1   26    0   42 o  125.485   4.9296   43.149   4.6939   43.149   4.6939   43.149   4.6939  125.485   6.9716  125.485   6.9716 0.000000 0.000000 
1 1 1   26    0   43 o  142.477   4.6754   55.465   5.0656   55.465   5.0656   55.465   5.0656  142.477   6.6120  142.477   6.6120 0.000000 0.000000 
1 1 1   26    0   44 o  153.019   4.6403   63.933   5.4034   63.933   5.4034   63.933   5.4034  153.019   6.5623  153.019   6.5623 0.000000 0.000000 
1 1 1   26    0   45 o  139.331   4.8805   53.161   5.1674   53.161   5.1674   53.161   5.1674  139.331   6.9020  139.331   6.9020 0.000000 0.000000 
1 1 1   26    0   46 o   31.883   12.019   4.1415   3.9781   4.1415   3.9781   4.1415   3.9781   31.883   16.997   31.883   16.997 0.000000 0.000000 
1 1 1   26    0   47 o   67.187   9.3287   13.767   4.2627   13.767   4.2627   13.767   4.2627   67.187   13.193   67.187   13.193 0.000000 0.000000 
1 1 1   26    0   48 o   31.078   12.079   3.8607   4.1411   3.8607   4.1411   3.8607   4.1411   31.078   17.083   31.078   17.083 0.000000 0.000000 
1 1 1   26    0   49 o   74.580   9.2556   16.720   4.7893   16.720   4.7893   16.720   4.7893   74.580   13.089   74.580   13.089 0.000000 0.000000 
1 1 1   26    0   50 o   66.748   11.217   14.352   4.9660   14.352   4.9660   14.352   4.9660   66.748   15.863   66.748   15.863 0.000000 0.000000 
1 1 1   26    0   51 o   20.645   9.9694  -2.5982   4.9138  -2.5982   4.9138  -2.5982   4.9138   20.645   14.099   20.645   14.099 0.000000 0.000000 
1 1 1   26    0   52 o  224.107   6.9742  139.144   11.891  139.144   11.891  139.144   11.891  224.107   9.8630  224.107   9.8630 0.000000 0.000000 
1 1 1   26    0   55 o   33.318   14.767   3.4054   7.7904   3.4054   7.7904   3.4054   7.7904   33.318   20.884   33.318   20.884 0.000000 0.000000 
1 1 1   26    1    1 o  591.002   10.668  914.693   33.236  1089.64   54.828  813.063   41.789  634.085   16.002  547.918   14.114 86.16699 21.33695 
1 1 1   26    1    2 o  420.941   8.2473  478.850   18.740  465.766   25.797  493.468   27.268  414.871   11.507  427.012   11.818 -12.14124 16.49467 
1 1 1   26    1    3 o  292.020   5.0190  230.181   7.9120  238.395   11.506  222.812   10.898  296.952   7.1702  287.087   7.0248 9.865509 10.03791 
1 1 1   26    1    4 o  803.188   9.8523  1745.84   42.739  1712.19   59.313  1782.18   61.638  795.162   13.804  811.215   14.061 -16.05347 19.70461 
1 1 1   26    1    5 o   71.643   10.218   14.276   3.8796   16.637   5.4598   11.868   5.5138   78.393   12.889   64.892   15.859 13.50097 20.43563 
1 1 1   26    1    6 f  614.983   7.7916  1022.93   25.885  1005.66   36.093  1041.23   37.145  609.645   10.956  620.321   11.081 -10.67566 15.58310 
1 1 1   26    1    7 o  206.273   5.0292  115.008   5.6047  116.298   8.0205  113.777   7.8352  207.403   7.1564  205.144   7.0681 2.258987 10.05849 
1 1 1   26    1    8 o  513.371   6.7382  712.917   18.692  708.530   26.375  717.344   26.495  511.784   9.5370  514.959   9.5216 -3.174652 13.47647 
1 1 1   26    1    9 o  1028.18   12.427  2865.63   68.990  2802.71   95.375  2934.69   99.915  1016.40   17.365  1039.96   17.780 -23.55157 24.85304 
1 1 1   26    1   10 o  323.921   5.1747  283.462   9.0535  275.683   12.577  291.829   13.043  319.313   7.2889  328.529   7.3473 -9.215759 10.34943 
1 1 1   26    1   11 o  411.440   5.8264  457.717   12.953  450.882   18.178  464.766   18.460  408.320   8.2388  414.559   8.2407 -6.238892 11.65273 
1 1 1   26    1   12 o  659.817   11.701  1178.52   41.720   0.0000   0.0000  1178.52   41.720  ?   ?   659.817   11.701      ?      ? 
1 1 1   26    1   13 o   85.403   8.8329   20.212   3.8849   15.204   5.4135   25.530   5.5783   73.681   14.111   97.125   10.629 -23.44402 17.66578 
1 1 1   26    1   14 o  229.089   4.9574  141.748   6.1330  146.778   8.8657  137.132   8.4929  232.980   7.0422  225.197   6.9792 7.784012 9.914728 
1 1 1   26    1   15 o  224.609   6.9371  136.423   8.4197   0.0000   0.0000  136.423   8.4197  ?   ?   224.609   6.9371      ?      ? 
1 1 1   26    1   16 o  479.047   9.1226  620.963   23.615   0.0000   0.0000  620.963   23.615  ?   ?   479.047   9.1226      ?      ? 
1 1 1   26    1   17 o  423.086   5.9899  484.257   13.693  486.043   19.511  482.523   19.222  423.852   8.5188  422.320   8.4228 1.531342 11.97976 
1 1 1   26    1   18 o  786.024   13.739  1675.93   58.354   0.0000   0.0000  1675.93   58.354  ?   ?   786.024   13.739      ?      ? 
1 1 1   26    1   19 o  278.706   7.2175  210.137   10.870   0.0000   0.0000  210.137   10.870  ?   ?   278.706   7.2175      ?      ? 
1 1 1   26    1   20 o   89.244   7.2653   22.692   3.3156   15.168   4.8875   29.108   4.5128   74.782   12.095  103.707   8.0529 -28.92461 14.53057 
1 1 1   26    1   22 o   99.191   6.1847   26.599   3.2102   26.473   4.0572   26.811   5.2495   98.903   7.5915   99.478   9.7657 -0.5750198 12.36931 
1 1 1   26    1   24 o   98.504   6.8439   29.020   3.2878   37.039   4.2736   17.390   5.1465  116.987   6.7603   80.022   11.902 36.96552 13.68786 
1 1 1   26    1   25 f  259.581   4.5469  182.536   6.3591  184.773   8.6965  179.966   9.3223  261.310   6.1589  257.853   6.6906 3.456909 9.093729 
1 1 1   26    1   27 o   48.224   10.786   5.5843   3.1194   3.6678   3.9014   8.9812   5.1939   39.833   14.276   56.615   16.173 -16.78247 21.57220 
1 1 1   26    1   28 o  458.366   8.5818  569.935   21.256  569.935   21.256   0.0000   0.0000  458.366   8.5818  ?   ?       ?      ? 
1 1 1   26    1   29 o   94.425   8.7086   24.204   4.4435   24.204   4.4435   0.0000   0.0000   94.425   8.7086  ?   ?       ?      ? 
1 1 1   26    1   30 o  331.510   5.0772  297.963   9.0811  298.903   12.511  296.916   13.202  332.094   6.9717  330.926   7.3829 1.168335 10.15439 
1 1 1   26    1   31 o  384.501   7.6368  401.041   15.867  401.041   15.867   0.0000   0.0000  384.501   7.6368  ?   ?       ?      ? 
1 1 1   26    1   32 o  128.275   5.7484   44.352   3.9195   42.901   5.0666   46.514   6.1853  125.735   7.4571  130.814   8.7503 -5.079437 11.49678 
1 1 1   26    1   33 f  120.343   6.0654   39.339   3.8605   39.153   4.9692   39.623   6.1314  120.064   7.6593  120.622   9.4069 -0.5574341 12.13072 
1 1 1   26    1   34 o   63.178   9.8560   12.638   3.4542   17.769   4.4212   4.5986   5.5339   80.699   10.139   45.657   16.905 35.04195 19.71196 
1 1 1   26    1   35 o  197.985   4.9223  106.978   5.2199  111.114   7.0169  101.852   7.8108  202.367   6.4168  193.604   7.4660 8.762527 9.844674 
1 1 1   26    1   36 o  120.655   6.2458   38.917   3.9925   36.048   5.0899   43.504   6.4367  115.064   8.1861  126.245   9.4355 -11.18080 12.49165 
1 1 1   26    1   37 o   86.167   8.1525   19.785   3.7344   16.885   4.7904   24.278   5.9624   78.394   11.308   93.939   11.746 -15.54458 16.30490 
1 1 1   26    1   41 f   53.190   11.914   7.8333   3.7474   7.2216   4.7315   8.8627   6.1382   50.487   15.688   55.894   17.935 -5.406700 23.82815 
1 1 1   26    1   42 o   49.794   9.4207   7.2572   2.6694   9.4101   3.6637   4.8213   3.8972   57.105   12.241   42.483   14.323 14.62240 18.84138 
1 1 1   26    1   43 o   72.042   7.5475   14.414   2.8411   11.754   3.8374   17.642   4.2265   64.126   11.497   79.958   9.7821 -15.83183 15.09503 
1 1 1   26    1   44 o   26.932   8.4400  -2.8544   2.6342  -6.4907   3.5786   1.4463   3.8918   20.313   9.9191   33.551   13.658 -13.23857 16.88000 
1 1 1   26    1   45 o   71.697   7.5501   14.288   2.9215   13.331   4.0605   15.316   4.2067   69.173   10.863   74.221   10.489 -5.047600 15.10024 
1 1 1   26    1   46 o  146.184   4.7650   58.458   3.7601   57.769   5.1885   59.219   5.4570  145.314   6.6076  147.053   6.8673 -1.738678 9.529996 
1 1 1   26    1   47 o   41.057   10.391   4.2648   2.9217   3.6991   3.9983   4.9130   4.2797   39.160   14.392   42.954   14.993 -3.794682 20.78248 
1 1 1   26    1   48 o  104.314   6.0138   30.078   3.3827   30.030   4.6361   30.131   4.9468  104.303   8.2256  104.325   8.7750 -0.2256012E-01 12.02756 
1 1 1   26    1   49 o   85.003   7.5908   20.233   3.4260   15.601   4.6753   25.606   5.0347   74.236   11.655   95.771   9.7286 -21.53497 15.18169 
1 1 1   26    1   50 o   88.952   10.343   23.214   4.9675   22.410   6.8618   24.099   7.2008   87.383   14.532   90.522   14.721 -3.139450 20.68545 
1 1 1   26    1   51 o   36.857   11.303  -2.1552   4.6203   4.5180   6.4329  -9.2658   6.6403   44.953   17.812   28.760   13.921 16.19341 22.60607 
1 1 1   26    1   52 o  202.485   7.4244  109.721   7.7024  172.703   12.360   69.730   9.8487  248.581   9.2013  156.388   11.654 92.19353 14.84886 
1 1 1   26    1   53 o   43.522   12.354   4.4275   4.3199   5.0672   5.2803   3.1329   7.5122   43.428   16.423   43.616   18.460 -0.1884499 24.70823 
1 1 1   26    1   54 o   39.645   12.069   1.3110   4.3769  -0.0866   5.2905   4.3423   7.7917   33.751   14.879   45.538   19.007 -11.78706 24.13803 
1 1 1   26    1   55 o   40.135   12.572  -0.0676   5.5722   4.4257   7.9319  -4.4459   7.8297   45.298   19.059   34.971   16.402 10.32726 25.14491 
1 1 1   26    2    1 o  450.969   8.6143  550.446   20.992  551.576   29.747  549.324   29.627  451.430   12.195  450.509   12.170 0.9209900 17.22852 
1 1 1   26    2    2 o  540.367   9.8624  790.628   28.795  798.874   41.074  782.658   40.380  543.133   13.995  537.600   13.900 5.532349 19.72489 
1 1 1   26    2    3 o  812.494   14.082  1791.21   61.805  1764.41   86.011  1819.82   88.869  806.247   19.742  818.741   20.087 -12.49451 28.16460 
1 1 1   26    2    4 o  429.828   7.3084  495.708   15.987  487.829   19.485  511.937   27.964  424.735   8.4896  434.922   11.899 -10.18765 14.61678 
1 1 1   26    2    5 o  725.967   8.9978  1424.98   35.266  1386.91   48.647  1467.15   51.199  715.776   12.577  736.159   12.871 -20.38324 17.99568 
1 1 1   26    2    6 o  170.323   5.3261   78.458   4.8940   72.725   6.8708   84.361   6.9726  164.002   7.7530  176.643   7.3048 -12.64127 10.65215 
1 1 1   26    2    7 o  289.720   6.9685  226.928   10.909   0.0000   0.0000  226.928   10.909  ?   ?   289.720   6.9685      ?      ? 
1 1 1   26    2    8 o  213.639   5.0238  123.382   5.7971  118.451   8.1430  128.448   8.2548  209.310   7.1996  217.967   7.0086 -8.657623 10.04761 
1 1 1   26    2    9 o  678.950   8.4934  1245.56   31.118  1204.88   42.675  1291.76   45.473  667.152   11.838  690.747   12.183 -23.59485 16.98679 
1 1 1   26    2   10 o  485.619   9.1350  637.890   23.971   0.0000   0.0000  637.890   23.971  ?   ?   485.619   9.1350      ?      ? 
1 1 1   26    2   11 o  428.232   8.3825  495.947   19.397   0.0000   0.0000  495.947   19.397  ?   ?   428.232   8.3825      ?      ? 
1 1 1   26    2   12 o  239.599   6.9324  155.212   8.9754   0.0000   0.0000  155.212   8.9754  ?   ?   239.599   6.9324      ?      ? 
1 1 1   26    2   13 o  344.531   5.3378  320.814   9.9345  310.604   13.873  331.562   14.233  338.906   7.5751  350.155   7.5225 -11.24915 10.67566 
1 1 1   26    2   14 o  192.108   7.2643   99.803   7.5410   0.0000   0.0000   99.803   7.5410  ?   ?   192.108   7.2643      ?      ? 
1 1 1   26    2   15 o  602.306   10.839  982.241   35.279   0.0000   0.0000  982.241   35.279  ?   ?   602.306   10.839      ?      ? 
1 1 1   26    2   16 o  384.885   7.9427  400.697   16.519   0.0000   0.0000  400.697   16.519  ?   ?   384.885   7.9427      ?      ? 
1 1 1   26    2   17 o  634.851   11.356  1091.62   38.957   0.0000   0.0000  1091.62   38.957  ?   ?   634.851   11.356      ?      ? 
1 1 1   26    2   18 o  259.827   5.0128  182.240   7.0285  175.987   9.6385  189.340   10.271  255.081   6.9927  264.573   7.1844 -9.492294 10.02565 
1 1 1   26    2   19 o  266.330   5.0580  191.857   7.2760  199.834   10.365  184.107   10.217  271.791   7.0572  260.868   7.2476 10.92279 10.11590 
1 1 1   26    2   20 o  203.914   5.0760  111.443   5.5475  104.794   7.3093  120.476   8.5197  196.820   6.8726  211.009   7.4720 -14.18924 10.15203 
1 1 1   26    2   21 o  412.913   7.8136  461.432   17.434  461.432   17.434   0.0000   0.0000  412.913   7.8136  ?   ?       ?      ? 
1 1 1   26    2   22 o  349.996   5.1328  331.939   9.6938  344.257   13.530  318.947   13.896  356.695   7.0196  343.298   7.4906 13.39719 10.26564 
1 1 1   26    2   23 o   63.034   9.1598   10.069   2.7435   8.7107   3.1860   13.965   5.3963   55.710   10.974   70.357   14.669 -14.64717 18.31968 
1 1 1   26    2   24 o  111.292   6.1618   35.914   3.2685   39.198   3.9143   28.350   5.9400  120.368   6.0181  102.216   10.754 18.15281 12.32361 
1 1 1   26    2   25 o  554.235   9.8925  833.289   29.627  833.289   29.627   0.0000   0.0000  554.235   9.8925  ?   ?       ?      ? 
1 1 1   26    2   26 o  656.510   8.2254  1171.59   29.178  1176.31   41.054  1166.78   41.477  657.874   11.548  655.146   11.716 2.728210 16.45086 
1 1 1   26    2   27 f   75.373   8.7465   16.488   2.8318   17.092   3.2232   14.446   5.9283   79.427   7.5100   71.320   15.799 8.107193 17.49291 
1 1 1   26    2   28 o  207.077   4.5797  115.905   4.9001  115.368   6.0886  116.893   8.2557  206.468   5.4573  207.687   7.3562 -1.218948 9.159488 
1 1 1   26    2   29 o  198.843   4.7109  108.848   4.8165  113.078   6.0209  101.331   8.0267  204.387   5.4516  193.300   7.6845 11.08676 9.421879 
1 1 1   26    2   30 o  130.886   5.7000   49.714   3.5862   54.585   4.3258   39.008   6.4131  141.993   5.6379  119.779   9.9084 22.21384 11.40006 
1 1 1   26    2   31 o  336.539   6.7945  306.995   12.356  306.995   12.356   0.0000   0.0000  336.539   6.7945  ?   ?       ?      ? 
1 1 1   26    2   36 o   61.369   10.321   11.469   3.1642   12.661   3.6802   8.0901   6.1968   68.054   10.007   54.684   18.054 13.37078 20.64178 
1 1 1   26    2   37 o  153.217   5.6260   65.532   4.3626   68.810   5.3860   59.277   7.4392  159.170   6.2620  147.263   9.3485 11.90767 11.25201 
1 1 1   26    2   38 o  161.822   8.9337   71.556   7.8119   0.0000   0.0000   71.556   7.8119  ?   ?   161.822   8.9337      ?      ? 
1 1 1   26    2   39 o  169.352   9.0863   78.482   8.3150   0.0000   0.0000   78.482   8.3150  ?   ?   169.352   9.0863      ?      ? 
1 1 1   26    2   41 o   72.783   10.248   15.836   3.6075   16.886   4.3200   13.419   6.5571   78.287   10.212   67.279   17.771 11.00809 20.49640 
1 1 1   26    2   42 o   91.732   5.8926   22.881   2.9088   20.579   3.9196   25.702   4.3397   86.633   8.3728   96.831   8.2939 -10.19775 11.78526 
1 1 1   26    2   43 o  201.824   4.3270  111.104   4.7131  116.117   6.6186  105.948   6.7131  206.498   5.9315  197.150   6.3014 9.348358 8.653928 
1 1 1   26    2   44 o  106.511   5.5522   31.002   3.1867   29.743   4.3184   32.507   4.7221  104.180   7.6709  108.841   8.0289 -4.661484 11.10431 
1 1 1   26    2   45 o  199.895   4.4261  109.100   4.7797  109.824   6.6966  108.349   6.8243  200.598   6.1778  199.193   6.3401 1.405380 8.852269 
1 1 1   26    2   46 o  180.832   4.5471   89.199   4.4365   85.667   6.0740   93.240   6.4956  177.030   6.3496  184.634   6.5106 -7.604080 9.094185 
1 1 1   26    2   47 o  138.994   5.9236   53.596   4.3687   51.532   6.7792   55.061   5.7131  136.400   9.1977  141.588   7.4673 -5.187408 11.84723 
1 1 1   26    2   48 o   57.237   11.985   9.9155   4.0789   12.495   5.6482   7.1036   5.8966   64.102   16.276   50.373   17.597 13.72877 23.97056 
1 1 1   26    2   49 o  138.760   7.0677   53.830   5.2961   53.311   7.3451   54.392   7.6433  138.137   9.8401  139.384   10.148 -1.247849 14.13541 
1 1 1   26    2   50 o   41.783   11.692   3.5044   3.7643   2.8022   4.6661   4.8131   6.3701   38.050   15.140   45.516   17.821 -7.465694 23.38383 
1 1 1   26    2   51 o   89.715   7.7548   22.866   3.7518   22.745   5.1418   23.002   5.4868   89.601   10.620   89.830   11.303 -0.2286987 15.50954 
1 1 1   26    2   52 o  105.920   7.1664   31.529   4.0484   25.273   5.5677   38.547   5.8970   94.449   10.909  117.391   9.2963 -22.94218 14.33287 
1 1 1   26    2   53 o   66.713   10.756   14.226   3.8144   16.644   5.3177   11.664   5.4745   73.499   13.898   59.928   16.420 13.57146 21.51217 
1 1 1   26    2   54 o   48.805   11.850   7.2516   3.8114   5.5958   5.2392   9.1129   5.5549   44.433   16.449   53.177   17.061 -8.744865 23.69926 
1 1 1   26    2   55 o   31.900   10.172  -1.0896   3.7107  -1.3955   5.2250  -0.7785   5.2706   31.415   14.243   32.385   14.527 -0.9701233 20.34458 
1 1 1   26    3    0 o  776.253   9.5765  1631.56   40.168  1634.25   57.051  1628.91   56.566  776.882   13.590  775.623   13.496 1.259277 19.15304 
1 1 1   26    3    1 o  1092.71   13.177  3239.07   77.800  3215.04  109.307  3263.75  110.760  1088.62   18.582  1096.81   18.688 -8.190308 26.35377 
1 1 1   26    3    2 o  390.399   6.8448  416.283   13.825  397.973   22.907  426.772   17.338  383.515   11.054  397.283   8.0762 -13.76855 13.68959 
1 1 1   26    3    3 o  593.531   10.652  954.387   34.163  956.081   48.386  952.703   48.242  594.055   15.073  593.006   15.055 1.048584 21.30373 
1 1 1   26    3    4 o  372.380   7.5626  374.908   15.211  366.667   21.123  383.784   21.921  368.136   10.619  376.623   10.771 -8.487335 15.12518 
1 1 1   26    3    5 o  136.605   7.7312   50.525   5.7034   52.117   8.0211   48.896   8.1112  138.787   10.695  134.422   11.167 4.365433 15.46248 
1 1 1   26    3    6 o  406.443   11.286  447.072   24.787   0.0000   0.0000  447.072   24.787  ?   ?   406.443   11.286      ?      ? 
1 1 1   26    3    7 o  109.115   7.2672   32.184   4.2593   37.164   6.1584   27.617   5.8973  117.209   9.7234  101.022   10.803 16.18645 14.53448 
1 1 1   26    3    8 o  621.437   7.8898  1043.78   26.472  1012.31   36.528  1078.58   38.417  611.597   11.053  631.277   11.262 -19.68030 15.77966 
1 1 1   26    3    9 o  271.840   5.0748  199.635   7.4489  203.833   10.785  195.805   10.300  274.569   7.2693  269.112   7.0831 5.456573 10.14957 
1 1 1   26    3   10 o  617.363   11.049  1031.49   36.860   0.0000   0.0000  1031.49   36.860  ?   ?   617.363   11.049      ?      ? 
1 1 1   26    3   11 o  187.083   5.2737   94.255   5.3188  100.207   7.8598   89.227   7.2240  192.507   7.5558  181.658   7.3593 10.84865 10.54746 
1 1 1   26    3   12 o  185.875   7.2909   93.421   7.3230   0.0000   0.0000   93.421   7.3230  ?   ?   185.875   7.2909      ?      ? 
1 1 1   26    3   13 o  367.111   5.5098  364.407   10.923  366.918   15.749  362.078   15.164  368.324   7.9127  365.898   7.6695 2.426117 11.01960 
1 1 1   26    3   14 o  231.973   4.9923  145.421   6.2556  149.365   8.9924  141.724   8.7080  235.018   7.0808  228.928   7.0393 6.088974 9.984522 
1 1 1   26    3   15 o  404.783   5.8295  443.188   12.748  445.454   18.248  441.029   17.816  405.789   8.3221  403.777   8.1653 2.011353 11.65890 
1 1 1   26    3   16 o  350.870   5.4389  332.781   10.309  322.396   14.387  343.739   14.779  345.246   7.7116  356.493   7.6719 -11.24713 10.87780 
1 1 1   26    3   17 o  327.506   7.4377  290.121   13.163   0.0000   0.0000  290.121   13.163  ?   ?   327.506   7.4377      ?      ? 
1 1 1   26    3   18 o  120.343   10.106   39.222   6.5720   0.0000   0.0000   39.222   6.5720  ?   ?   120.343   10.106      ?      ? 
1 1 1   26    3   19 o  172.348   5.3489   79.880   4.9235   77.296   6.4414   83.510   7.6357  169.033   7.0521  175.663   8.0442 -6.629761 10.69773 
1 1 1   26    3   20 o  155.356   5.7155   65.851   4.7551   70.608   6.4649   60.244   7.0186  161.540   7.4062  149.172   8.7071 12.36757 11.43091 
1 1 1   26    3   21 o  287.937   6.0934  224.237   9.4809  224.237   9.4809   0.0000   0.0000  287.937   6.0934  ?   ?       ?      ? 
1 1 1   26    3   22 o  147.749   4.9736   59.503   3.5507   60.049   4.1837   58.097   6.7141  149.021   5.1954  146.478   8.4826 2.542313 9.947196 
1 1 1   26    3   23 o  351.067   6.8432  333.527   12.982  333.527   12.982   0.0000   0.0000  351.067   6.8432  ?   ?       ?      ? 
1 1 1   26    3   24 o  703.365   12.276  1344.41   46.657  1344.41   46.657   0.0000   0.0000  703.365   12.276  ?   ?       ?      ? 
1 1 1   26    3   25 o  290.441   4.7282  226.831   7.2309  221.805   9.1932  234.983   11.709  286.308   5.9422  294.574   7.3562 -8.265778 9.456399 
1 1 1   26    3   27 o  339.517   7.7178  312.384   14.159   0.0000   0.0000  312.384   14.159  ?   ?   339.517   7.7178      ?      ? 
1 1 1   26    3   28 o  502.588   9.6288  686.161   26.150   0.0000   0.0000  686.161   26.150  ?   ?   502.588   9.6288      ?      ? 
1 1 1   26    3   29 o   41.179   16.935   1.5579   6.0601   0.0000   0.0000   1.5579   6.0601  ?   ?    41.179   16.935      ?      ? 
1 1 1   26    3   30 o  316.574   7.6412  271.802   13.072   0.0000   0.0000  271.802   13.072  ?   ?   316.574   7.6412      ?      ? 
1 1 1   26    3   31 o  103.836   11.627   29.416   6.5238   0.0000   0.0000   29.416   6.5238  ?   ?   103.836   11.627      ?      ? 
1 1 1   26    3   32 o   38.890   8.8564   4.4844   1.7675   5.1207   1.8494  -2.2211   6.0039   42.689   8.3163   35.092   15.639 7.597755 17.71281 
1 1 1   26    3   33 o  262.106   5.6661  186.167   8.0250  186.167   8.0250   0.0000   0.0000  262.106   5.6661  ?   ?       ?      ? 
1 1 1   26    3   35 o  121.610   11.132   40.483   7.3153   0.0000   0.0000   40.483   7.3153  ?   ?   121.610   11.132      ?      ? 
1 1 1   26    3   36 o   92.994   7.7938   24.426   3.0165   24.859   3.3519   22.579   6.9178   95.676   6.4834   90.313   14.175 5.362602 15.58755 
1 1 1   26    3   37 o  134.106   10.569   49.328   7.6590   0.0000   0.0000   49.328   7.6590  ?   ?   134.106   10.569      ?      ? 
1 1 1   26    3   39 o   96.513   7.9443   26.051   3.4935   26.396   4.0032   24.948   7.1543   98.398   7.5290   94.628   13.991 3.769630 15.88851 
1 1 1   26    3   40 o   61.119   10.854   11.369   3.2842   12.240   3.7322   8.3770   6.9136   66.663   10.361   55.575   19.075 11.08806 21.70709 
1 1 1   26    3   41 o  150.791   10.186   62.658   8.2996   0.0000   0.0000   62.658   8.2996  ?   ?   150.791   10.186      ?      ? 
1 1 1   26    3   42 o  257.177   6.1719  180.171   8.5770  180.171   8.5770   0.0000   0.0000  257.177   6.1719  ?   ?       ?      ? 
1 1 1   26    3   43 o   89.094   6.1449   21.799   2.9565   21.491   4.0968   22.135   4.2708   88.457   8.5709   89.732   8.8079 -1.275375 12.28982 
1 1 1   26    3   44 o  232.337   5.2389  148.333   6.4267  145.360   10.180  150.302   8.2869  230.050   8.1891  234.624   6.5363 -4.573547 10.47781 
1 1 1   26    3   45 o  129.318   6.2528   45.976   4.3570   41.419   5.9882   51.104   6.3514  122.468   9.0487  136.167   8.6320 -13.69906 12.50559 
1 1 1   26    3   46 o  149.692   6.1145   61.953   4.9171   70.563   7.0373   53.739   6.8733  160.053   8.1368  139.331   9.1292 20.72253 12.22904 
1 1 1   26    3   47 o   40.389   11.241   3.1535   3.6028   3.3784   5.0545   2.9212   5.1368   40.772   15.899   40.006   15.896 0.7658539 22.48225 
1 1 1   26    3   48 o   51.940   10.149   8.1795   3.1493   11.387   4.2337   4.2061   4.7123   62.149   13.023   41.731   15.570 20.41794 20.29857 
1 1 1   26    3   49 o   93.802   7.0041   25.264   3.4445   29.968   4.6812   19.711   5.0865  104.047   8.3260   83.557   11.265 20.49046 14.00828 
1 1 1   26    3   50 o   39.900   10.715   3.7176   3.2485   5.0737   4.3813   2.0618   4.8414   42.897   15.155   36.904   15.152 5.993080 21.43005 
1 1 1   26    3   51 o   32.106   9.8622  -1.8490   3.4218  -6.0750   4.6783   3.0123   5.0177   24.922   11.967   39.289   15.679 -14.36645 19.72431 
1 1 1   26    3   52 o   53.060   11.592   8.2908   3.8017   5.1453   5.2192   11.846   5.5489   44.382   16.420   61.737   16.368 -17.35538 23.18434 
1 1 1   26    3   53 o  124.939   6.3787   44.351   4.3044   43.518   5.9764   45.248   6.2046  123.780   8.9351  126.098   9.1058 -2.318390 12.75744 
1 1 1   26    3   54 o  152.853   5.6348   65.272   4.6481   61.861   6.3833   69.123   6.7816  148.626   7.9480  157.080   7.9895 -8.453888 11.26959 
1 1 1   26    3   55 o   45.880   16.840   6.4607   5.4717   0.0000   0.0000   6.4607   5.4717  ?   ?    45.880   16.840      ?      ? 
1 1 1   26    4    0 o  469.076   6.4252  594.586   16.268  605.016   23.652  585.220   22.412  472.968   9.2542  465.183   8.9159 7.785034 12.85047 
1 1 1   26    4    1 o  335.361   5.3537  303.903   9.6930  307.930   14.051  300.247   13.389  337.475   7.7051  333.246   7.4352 4.228577 10.70749 
1 1 1   26    4    2 o  706.720   8.8270  1351.66   33.704  1332.37   47.174  1371.78   48.171  701.575   12.444  711.865   12.523 -10.29065 17.65398 
1 1 1   26    4    3 o  521.272   6.8798  734.918   19.377  723.071   27.236  747.063   27.575  517.017   9.7486  525.527   9.7103 -8.510193 13.75958 
1 1 1   26    4    4 o  196.165   5.9344  100.353   6.0935  118.829   10.257   90.277   7.5750  209.606   9.0561  182.724   7.6718 26.88219 11.86884 
1 1 1   26    4    5 o  610.267   10.874  1008.82   35.845  990.541   49.858  1028.38   51.570  604.562   15.262  615.972   15.494 -11.40979 21.74792 
1 1 1   26    4    6 o  141.498   7.3902   54.055   5.6436   50.653   7.7892   57.815   8.1884  136.820   10.535  146.176   10.367 -9.356674 14.78046 
1 1 1   26    4    7 o  186.980   6.4986   94.435   6.5601   89.122   9.1012  100.180   9.4642  181.512   9.2791  192.449   9.1008 -10.93649 12.99717 
1 1 1   26    4    8 o  515.984   9.4562  714.333   26.187  666.441   34.673  777.928   39.955  496.081   12.934  535.886   13.798 -39.80508 18.91235 
1 1 1   26    4    9 o  349.908   6.5121  326.024   11.765  314.387   14.503  348.423   20.121  340.973   7.8713  358.844   10.377 -17.87088 13.02427 
1 1 1   26    4   10 o  622.197   11.146  1047.76   37.474   0.0000   0.0000  1047.76   37.474  ?   ?   622.197   11.146      ?      ? 
1 1 1   26    4   11 o  599.481   7.6974  971.805   24.923  944.357   34.603  1001.40   35.927  590.697   10.841  608.265   10.930 -17.56836 15.39473 
1 1 1   26    4   12 o  203.305   7.0741  111.766   7.7716   0.0000   0.0000  111.766   7.7716  ?   ?   203.305   7.0741      ?      ? 
1 1 1   26    4   13 f  378.518   7.8724  387.529   16.102   0.0000   0.0000  387.529   16.102  ?   ?   378.518   7.8724      ?      ? 
1 1 1   26    4   14 o  341.536   7.5399  315.487   13.915   0.0000   0.0000  315.487   13.915  ?   ?   341.536   7.5399      ?      ? 
1 1 1   26    4   15 o  254.827   7.1092  175.609   9.7893   0.0000   0.0000  175.609   9.7893  ?   ?   254.827   7.1092      ?      ? 
1 1 1   26    4   16 o  116.510   7.0621   38.401   4.2394   48.487   5.7764   26.625   6.2415  133.881   7.9846   99.140   11.651 34.74102 14.12420 
1 1 1   26    4   17 o  339.120   5.3975  310.930   9.8834  315.639   14.300  306.623   13.675  341.570   7.7478  336.669   7.5169 4.900879 10.79498 
1 1 1   26    4   18 o  301.827   7.2585  246.458   11.838   0.0000   0.0000  246.458   11.838  ?   ?   301.827   7.2585      ?      ? 
1 1 1   26    4   19 o  161.186   5.3766   71.343   4.6066   78.089   6.1824   62.924   6.9072  169.905   6.7338  152.467   8.3837 17.43713 10.75321 
1 1 1   26    4   20 o   85.896   5.8616   19.046   2.4746   17.860   2.9022   22.203   4.7367   81.256   6.6097   90.535   9.6823 -9.278450 11.72324 
1 1 1   26    4   21 o  119.464   5.0464   38.588   3.2577   38.588   3.2577   0.0000   0.0000  119.464   5.0464  ?   ?       ?      ? 
1 1 1   26    4   24 o  379.125   8.0871  389.375   16.568   0.0000   0.0000  389.375   16.568  ?   ?   379.125   8.0871      ?      ? 
1 1 1   26    4   25 o  268.497   7.4736  195.251   10.843   0.0000   0.0000  195.251   10.843  ?   ?   268.497   7.4736      ?      ? 
1 1 1   26    4   26 o  163.189   8.6915   72.210   7.6643   0.0000   0.0000   72.210   7.6643  ?   ?   163.189   8.6915      ?      ? 
1 1 1   26    4   27 f  194.201   8.0661  102.251   8.4646   0.0000   0.0000  102.251   8.4646  ?   ?   194.201   8.0661      ?      ? 
1 1 1   26    4   28 o  230.680   7.6672  144.292   9.5573   0.0000   0.0000  144.292   9.5573  ?   ?   230.680   7.6672      ?      ? 
1 1 1   26    4   31 o  114.905   11.087   36.006   6.8837   0.0000   0.0000   36.006   6.8837  ?   ?   114.905   11.087      ?      ? 
1 1 1   26    4   32 o  145.492   9.6697   57.657   7.6022   0.0000   0.0000   57.657   7.6022  ?   ?   145.492   9.6697      ?      ? 
1 1 1   26    4   33 o  223.594   8.0571  135.906   9.7349   0.0000   0.0000  135.906   9.7349  ?   ?   223.594   8.0571      ?      ? 
1 1 1   26    4   35 o  146.430   10.347   58.616   8.1871   0.0000   0.0000   58.616   8.1871  ?   ?   146.430   10.347      ?      ? 
1 1 1   26    4   36 o  195.861   8.9333  104.702   9.4548   0.0000   0.0000  104.702   9.4548  ?   ?   195.861   8.9333      ?      ? 
1 1 1   26    4   37 o   76.680   18.077   17.224   7.3682   0.0000   0.0000   17.224   7.3682  ?   ?    76.680   18.077      ?      ? 
1 1 1   26    4   38 o   42.741   9.8495   5.5023   2.4169   6.6160   2.5591  -3.6910   7.3529   48.242   10.139   37.240   16.889 11.00208 19.69902 
1 1 1   26    4   39 o  222.396   10.505  136.081   12.625   0.0000   0.0000  136.081   12.625  ?   ?   222.396   10.505      ?      ? 
1 1 1   26    4   40 o  137.853   13.549   53.086   10.093   0.0000   0.0000   53.086   10.093  ?   ?   137.853   13.549      ?      ? 
1 1 1   26    4   42 o   45.960   9.1028   6.1280   2.5259   8.7739   3.4065   2.8964   3.7646   55.161   11.786   36.760   13.876 18.40123 18.20564 
1 1 1   26    4   43 o   40.624   9.8547   3.9431   2.7711   6.5698   3.9456   1.3860   3.8929   47.794   14.223   33.455   13.644 14.33883 19.70949 
1 1 1   26    4   44 o  149.153   5.0225   60.396   3.9558   58.688   5.0502   63.108   6.3633  146.629   6.3739  151.677   7.7638 -5.048431 10.04507 
1 1 1   26    4   45 o   62.346   8.4770   11.281   2.7658   12.635   3.7434   9.6536   4.1045   67.411   10.276   57.280   13.485 10.13107 16.95396 
1 1 1   26    4   46 o  212.987   4.4942  124.200   5.1609  126.782   7.1116  121.327   7.5012  215.426   6.1091  210.549   6.5931 4.876648 8.988349 
1 1 1   26    4   47 o   57.378   9.2965   9.8601   2.9393   12.952   4.0003   6.2324   4.3331   68.038   10.881   46.718   15.077 21.31949 18.59308 
1 1 1   26    4   48 f  108.432   6.1266   33.500   3.4604   42.354   4.8143   24.036   4.9772  124.106   7.1788   92.757   9.9301 31.34933 12.25324 
1 1 1   26    4   49 o   74.693   8.5706   16.205   3.3383   17.260   4.5071   14.922   4.9686   78.333   10.648   71.054   13.433 7.278641 17.14122 
1 1 1   26    4   50 o   67.131   9.8635   13.508   3.4576   11.533   4.6888   15.863   5.1192   61.472   14.373   72.791   13.512 -11.31915 19.72704 
1 1 1   26    4   51 o  161.286   7.2682   71.829   6.3345   71.829   6.3345   0.0000   0.0000  161.286   7.2682  ?   ?       ?      ? 
1 1 1   26    4   52 o   25.848   8.7592  -6.1614   3.5075  -5.4500   4.8237  -6.9595   5.1093   26.048   12.411   25.649   12.364 0.3998413 17.51845 
1 1 1   26    4   53 o   82.546   8.9285   20.396   3.8334   16.290   5.2012   25.279   5.6719   72.295   13.818   92.797   11.311 -20.50166 17.85690 
1 1 1   26    4   54 f   47.245   11.651   6.6738   3.6870   5.2754   5.1226   8.1770   5.3110   43.623   16.242   50.866   16.710 -7.243076 23.30280 
1 1 1   26    4   55 o   60.531   11.552   12.223   3.8804   10.740   5.3677   13.847   5.6161   56.522   16.529   64.539   16.144 -8.016850 23.10486 
1 1 1   26    5    0 o  364.652   6.6814  362.230   12.735  370.156   16.180  349.324   20.646  369.986   8.0931  359.317   10.633 10.66901 13.36286 
1 1 1   26    5    1 o  629.786   8.0161  1073.40   27.279  1070.70   38.717  1076.06   38.441  628.996   11.391  630.577   11.282 -1.581116 16.03220 
1 1 1   26    5    2 o   56.483   11.323   6.5322   4.2984   16.637   6.5846  -0.9717   5.6741   76.889   16.351   36.077   15.666 40.81187 22.64502 
1 1 1   26    5    3 o  241.186   7.1727  157.274   9.3481   0.0000   0.0000  157.274   9.3481  ?   ?   241.186   7.1727      ?      ? 
1 1 1   26    5    4 o  253.820   7.0693  174.182   9.6960   0.0000   0.0000  174.182   9.6960  ?   ?   253.820   7.0693      ?      ? 
1 1 1   26    5    5 o  621.206   7.9221  1043.58   26.581  1016.81   36.917  1072.40   38.303  612.946   11.146  629.466   11.261 -16.51984 15.84425 
1 1 1   26    5    6 o  692.199   8.6849  1294.04   32.432  1243.82   44.342  1351.80   47.557  677.815   12.107  706.584   12.456 -28.76904 17.36982 
1 1 1   26    5    7 o  536.254   8.4603  786.419   23.539  749.324   38.710  808.184   29.651  525.963   13.620  546.546   10.040 -20.58319 16.92052 
1 1 1   26    5    8 o  510.797   9.3761  706.642   25.879  706.982   36.701  706.306   36.498  510.916   13.293  510.678   13.226 0.2378845 18.75218 
1 1 1   26    5    9 o  930.163   15.971  2351.89   80.209  2297.30  110.726  2412.16  116.348  918.901   22.299  941.424   22.871 -22.52283 31.94282 
1 1 1   26    5   10 o  197.618   6.2693  105.703   6.6859  104.257   9.6704  107.027   9.2539  196.316   9.1160  198.920   8.6091 -2.604355 12.53864 
1 1 1   26    5   11 o  207.469   6.1550  116.441   6.9001  115.586   9.7583  117.297   9.7583  206.706   8.7364  208.232   8.6724 -1.526825 12.30995 
1 1 1   26    5   12 o  155.452   6.5172   65.281   5.4698   68.131   7.9368   62.703   7.5488  158.677   9.2564  152.227   9.1769 6.450058 13.03440 
1 1 1   26    5   13 o  442.796   11.792  531.081   28.214   0.0000   0.0000  531.081   28.214  ?   ?   442.796   11.792      ?      ? 
1 1 1   26    5   14 o  727.010   11.190  1393.14   40.185  1336.18   47.503  1536.49   75.358  702.245   12.518  751.775   18.551 -49.53009 22.37918 
1 1 1   26    5   15 o  544.286   7.1578  799.572   21.015  763.028   28.691  841.870   30.867  530.921   10.001  557.651   10.243 -26.72937 14.31567 
1 1 1   26    5   16 o  412.334   5.9400  459.968   13.233  448.410   18.587  471.847   18.843  407.079   8.4499  417.589   8.3506 -10.51050 11.87993 
1 1 1   26    5   17 o   36.544   10.638   0.5840   3.3469  -0.8553   4.2679   2.8831   5.3940   31.049   13.534   42.040   16.416 -10.99092 21.27540 
1 1 1   26    5   18 o  184.165   7.2298   91.762   7.1948   0.0000   0.0000   91.762   7.1948  ?   ?   184.165   7.2298      ?      ? 
1 1 1   26    5   20 o   59.672   9.7267   8.4120   2.0003   8.0728   2.0996   11.744   6.5808   54.622   7.1135   64.721   18.106 -10.09870 19.45330 
1 1 1   26    5   21 o  367.569   8.1584  365.783   16.204   0.0000   0.0000  365.783   16.204  ?   ?   367.569   8.1584      ?      ? 
1 1 1   26    5   22 o  356.955   8.1368  345.045   15.695   0.0000   0.0000  345.045   15.695  ?   ?   356.955   8.1368      ?      ? 
1 1 1   26    5   23 o   45.235   17.899   3.0727   6.4875   0.0000   0.0000   3.0727   6.4875  ?   ?    45.235   17.899      ?      ? 
1 1 1   26    5   24 o   75.021   17.174   16.000   6.8117   0.0000   0.0000   16.000   6.8117  ?   ?    75.021   17.174      ?      ? 
1 1 1   26    5   25 o  227.822   7.9507  140.638   9.7879   0.0000   0.0000  140.638   9.7879  ?   ?   227.822   7.9507      ?      ? 
1 1 1   26    5   26 f   56.098   18.712   8.1980   6.6510   0.0000   0.0000   8.1980   6.6510  ?   ?    56.098   18.712      ?      ? 
1 1 1   26    5   27 o  206.739   8.0978  115.914   9.0464   0.0000   0.0000  115.914   9.0464  ?   ?   206.739   8.0978      ?      ? 
1 1 1   26    5   28 o  195.302   8.2428  103.502   8.6990   0.0000   0.0000  103.502   8.6990  ?   ?   195.302   8.2428      ?      ? 
1 1 1   26    5   30 o  453.182   9.2220  558.224   22.583   0.0000   0.0000  558.224   22.583  ?   ?   453.182   9.2220      ?      ? 
1 1 1   26    5   31 o  227.540   8.1796  140.645   10.057   0.0000   0.0000  140.645   10.057  ?   ?   227.540   8.1796      ?      ? 
1 1 1   26    5   33 o  386.698   11.541  409.234   24.116   0.0000   0.0000  409.234   24.116  ?   ?   386.698   11.541      ?      ? 
1 1 1   26    5   34 o  235.469   10.410  151.486   13.245   0.0000   0.0000  151.486   13.245  ?   ?   235.469   10.410      ?      ? 
1 1 1   26    5   40 o  145.702   23.003   63.041   18.110   0.0000   0.0000   63.041   18.110  ?   ?   145.702   23.003      ?      ? 
1 1 1   26    5   42 o   81.312   11.061   21.739   3.1042   22.636   3.3232   15.595   8.6933   91.071   6.7530   71.553   21.067 19.51802 22.12243 
1 1 1   26    5   43 o   98.266   5.1822   26.420   2.7517   26.506   3.8997   26.335   3.8833   98.424   7.3324   98.107   7.3250 0.3167038 10.36438 
1 1 1   26    5   44 o  144.638   4.5295   57.080   3.5375   55.931   4.8916   58.340   5.1219  143.133   6.3245  146.143   6.4858 -3.010162 9.058949 
1 1 1   26    5   45 o   75.968   6.6915   15.984   2.7446   15.880   3.7995   16.098   3.9688   75.745   9.2831   76.191   9.6399 -0.4463882 13.38291 
1 1 1   26    5   46 o   26.561   8.2266  -2.2676   2.5288   1.6907   3.4845  -6.6720   3.6756   32.615   13.049   20.507   10.022 12.10778 16.45310 
1 1 1   26    5   47 o  173.278   4.5773   82.373   4.2738   85.630   5.9063   78.793   6.1920  176.982   6.1759  169.574   6.7575 7.408173 9.154517 
1 1 1   26    5   48 o  159.324   4.8198   69.380   4.1394   65.014   5.6205   74.554   6.1191  153.893   6.7588  164.754   6.8733 -10.86098 9.639653 
1 1 1   26    5   49 o   79.899   7.7174   18.037   3.3234   18.019   4.5420   18.057   4.8756   79.984   10.509   79.814   11.305 0.1697083 15.43488 
1 1 1   26    5   50 f   99.351   6.6903   27.447   3.5715   24.057   4.7939   31.676   5.3542   92.475   9.5935  106.228   9.3277 -13.75209 13.38063 
1 1 1   26    5   51 o  144.729   8.2381   58.165   6.4428   0.0000   0.0000   58.165   6.4428  ?   ?   144.729   8.2381      ?      ? 
1 1 1   26    5   52 o   53.826   11.435   9.0642   3.6569   10.851   5.0583   7.1082   5.2929   58.895   15.634   48.756   16.691 10.13911 22.86935 
1 1 1   26    5   53 o  102.029   7.2525   29.732   3.9713   25.599   5.3236   34.919   5.9632   93.978   10.483  110.081   10.025 -16.10326 14.50496 
1 1 1   26    5   54 o   39.227   11.082   2.8064   3.6553   0.2392   4.9506   5.8835   5.4201   33.282   14.540   45.172   16.729 -11.88974 22.16470 
1 1 1   26    6    0 o  351.064   6.6111  336.244   12.203  346.518   15.687  320.496   19.422  357.966   8.1096  344.163   10.443 13.80341 13.22221 
1 1 1   26    6    1 f  351.143   5.6302  333.291   10.673  336.491   15.459  330.377   14.754  352.747   8.1104  349.540   7.8115 3.207733 11.26047 
1 1 1   26    6    2 o  197.096   7.5752  105.040   8.0679   0.0000   0.0000  105.040   8.0679  ?   ?   197.096   7.5752      ?      ? 
1 1 1   26    6    3 o  567.780   7.4152  872.206   22.749  858.154   31.981  886.598   32.366  563.150   10.510  572.411   10.464 -9.260742 14.83038 
1 1 1   26    6    4 o  760.176   9.4573  1563.39   38.820  1520.79   53.666  1610.14   56.222  749.344   13.254  771.008   13.495 -21.66394 18.91460 
1 1 1   26    6    5 o  377.506   5.7816  385.293   11.780  387.380   17.099  383.408   16.252  378.471   8.3611  376.541   7.9876 1.929810 11.56328 
1 1 1   26    6    6 o  178.473   7.9084   86.134   7.6269   0.0000   0.0000   86.134   7.6269  ?   ?   178.473   7.9084      ?      ? 
1 1 1   26    6    7 o  349.735   5.5514  330.801   10.488  320.654   14.808  341.015   14.857  344.349   7.9580  355.122   7.7421 -10.77307 11.10274 
1 1 1   26    6    8 o  582.798   10.602  919.176   33.388   0.0000   0.0000  919.176   33.388  ?   ?   582.798   10.602      ?      ? 
1 1 1   26    6    9 o   93.027   10.074   29.951   4.4117   5.3250   6.5819   50.040   5.9449   50.032   18.454  136.023   8.0881 -85.99071 20.14821 
1 1 1   26    6   10 o  134.343   6.7237   50.273   4.7129   42.227   7.3374   55.924   6.1490  124.891   10.872  143.794   7.9137 -18.90309 13.44749 
1 1 1   26    6   11 f  534.594   7.1292  772.956   20.565  784.379   29.990  762.817   28.255  538.297   10.310  530.891   9.8492 7.406311 14.25849 
1 1 1   26    6   12 o  347.101   10.176  326.126   19.085  326.126   19.085   0.0000   0.0000  347.101   10.176  ?   ?       ?      ? 
1 1 1   26    6   13 o  461.930   8.5944  573.865   21.352  536.712   28.561  620.946   32.151  445.130   11.874  478.729   12.428 -33.59958 17.18879 
1 1 1   26    6   14 o  175.725   6.0572   83.265   5.7259   72.770   7.8700   95.068   8.3462  163.992   8.8810  187.459   8.2394 -23.46738 12.11444 
1 1 1   26    6   15 o   76.403   10.088   16.629   3.9922   10.284   5.6311   23.041   5.6606   60.588   16.674   92.219   11.359 -31.63113 20.17597 
1 1 1   26    6   16 o  181.340   5.8610   89.027   5.7411   91.216   8.0862   86.802   8.1525  183.594   8.1508  179.086   8.4244 4.507416 11.72203 
1 1 1   26    6   17 o  255.213   5.9871  175.604   8.2360  166.779   11.173  186.104   12.187  248.228   8.3300  262.199   8.6019 -13.97104 11.97418 
1 1 1   26    6   18 o  353.854   7.0247  336.569   13.359  315.315   17.803  363.964   20.212  341.192   9.6559  366.516   10.205 -25.32312 14.04937 
1 1 1   26    6   19 f  195.411   5.5093  103.827   5.7754  118.311   8.1746   89.392   8.1606  209.104   7.2346  181.718   8.3107 27.38646 11.01853 
1 1 1   26    6   34 o   51.994   24.266 -13.5541   16.788   0.0000   0.0000 -13.5541   16.788  ?   ?    51.994   24.266      ?      ? 
1 1 1   26    6   35 o  128.426   25.725   49.617   17.230   0.0000   0.0000   49.617   17.230  ?   ?   128.426   25.725      ?      ? 
1 1 1   26    6   36 o   38.148   17.209  -3.3729   7.5170   0.0000   0.0000  -3.3729   7.5170  ?   ?    38.148   17.209      ?      ? 
1 1 1   26    6   37 o  151.870   10.805   63.378   8.8669   0.0000   0.0000   63.378   8.8669  ?   ?   151.870   10.805      ?      ? 
1 1 1   26    6   38 f  153.200   11.039   64.664   9.1383   0.0000   0.0000   64.664   9.1383  ?   ?   153.200   11.039      ?      ? 
1 1 1   26    6   39 o  140.371   11.866   54.606   9.0003   0.0000   0.0000   54.606   9.0003  ?   ?   140.371   11.866      ?      ? 
1 1 1   26    6   40 o   74.254   19.610   16.569   7.9850   0.0000   0.0000   16.569   7.9850  ?   ?    74.254   19.610      ?      ? 
1 1 1   26    6   42 o  134.232   8.8456   49.672   6.3507   45.563   8.2942   55.495   9.8734  127.798   12.010  140.666   12.989 -12.86781 17.69121 
1 1 1   26    6   44 o   68.418   6.9797   12.683   2.5501   15.148   3.9885   10.979   3.3166   73.890   9.9893   62.946   9.7507 10.94406 13.95936 
1 1 1   26    6   45 o  182.018   4.4916   90.569   4.4176   91.144   6.2800   90.006   6.2154  182.585   6.3651  181.451   6.3390 1.134567 8.983202 
1 1 1   26    6   46 o   71.601   7.4346   14.209   2.8645   16.132   4.2358   12.588   3.8885   76.080   10.303   67.123   10.721 8.956970 14.86921 
1 1 1   26    6   47 o  101.345   5.8681   28.383   3.2133   28.907   4.5555   27.865   4.5331  102.290   8.2416  100.400   8.3555 1.890732 11.73618 
1 1 1   26    6   48 o   40.355   10.246   4.0249   2.9223   2.2600   4.1408   5.7761   4.1247   35.760   14.252   44.950   14.724 -9.190510 20.49170 
1 1 1   26    6   49 o   37.478   10.330   2.8681   3.0439   1.7655   4.2472   4.0325   4.3647   34.724   14.217   40.232   14.990 -5.507881 20.65951 
1 1 1   26    6   50 o   78.197   8.8777   17.975   3.5302   12.123   4.8487   24.576   5.1498   63.091   14.523   93.304   10.214 -30.21323 17.75534 
1 1 1   26    6   51 o  107.187   7.0422   32.352   4.0713   33.750   5.6818   30.876   5.8368  109.727   9.5827  104.647   10.322 5.079445 14.08436 
1 1 1   26    6   52 o   93.150   8.0910   25.303   4.0656   26.276   5.6740   24.276   5.8284   95.233   11.026   91.066   11.844 4.167839 16.18192 
1 1 1   26    6   53 f  120.554   6.7216   41.441   4.3694   43.158   6.0817   39.610   6.2818  123.381   9.1219  117.727   9.8747 5.654541 13.44318 
1 1 1   26    6   54 o  148.002   5.8283   62.004   4.6530   64.351   6.4830   59.510   6.6822  151.131   7.9384  144.872   8.5358 6.258575 11.65669 
1 1 1   26    7    0 o  518.144   6.9936  725.771   19.573  703.900   27.233  749.143   28.152  510.076   9.8804  526.212   9.9004 -16.13571 13.98713 
1 1 1   26    7    1 o  380.596   6.9852  389.496   13.830  383.211   17.285  400.676   23.055  376.422   8.4977  384.770   11.089 -8.347992 13.97035 
1 1 1   26    7    2 o  514.240   6.9613  715.473   19.343  707.726   27.401  723.168   27.309  511.460   9.9144  517.019   9.7748 -5.559357 13.92267 
1 1 1   26    7    3 o  552.933   7.3291  826.789   21.892  804.756   30.541  850.075   31.397  545.361   10.364  560.506   10.366 -15.14502 14.65828 
1 1 1   26    7    4 o  342.342   5.6625  315.390   10.434  333.637   15.609  300.650   14.029  351.241   8.2239  333.442   7.7861 17.79935 11.32503 
1 1 1   26    7    5 o  303.102   5.4823  248.480   8.9727  236.402   12.638  260.753   12.741  295.669   7.9104  310.534   7.5927 -14.86557 10.96467 
1 1 1   26    7    6 o  368.027   5.8306  366.001   11.587  346.905   16.153  386.243   16.630  358.142   8.3464  377.913   8.1437 -19.77023 11.66117 
1 1 1   26    7    7 o  662.062   8.4330  1182.65   30.101  1126.56   40.915  1248.82   44.441  645.035   11.738  679.089   12.111 -34.05414 16.86592 
1 1 1   26    7    8 o   99.018   9.4211   28.603   4.5802   18.468   6.8022   37.009   6.1950   81.093   16.091  116.944   9.8033 -35.85125 18.84225 
1 1 1   26    7    9 o  332.085   7.6421  298.266   13.713   0.0000   0.0000  298.266   13.713  ?   ?   332.085   7.6421      ?      ? 
1 1 1   26    7   10 o  328.082   5.5859  291.369   9.8726  262.617   13.841  321.149   14.086  311.578   8.2208  344.587   7.5650 -33.00928 11.17187 
1 1 1   26    7   11 o  442.853   8.7628  530.614   20.970   0.0000   0.0000  530.614   20.970  ?   ?   442.853   8.7628      ?      ? 
1 1 1   26    7   12 o  430.910   6.1835  498.993   14.349  458.901   19.361  547.849   21.372  411.840   8.6999  449.980   8.7896 -38.14001 12.36708 
1 1 1   26    7   14 o  360.321   5.7045  350.154   11.083  319.694   15.237  384.369   16.149  343.728   8.2034  376.914   7.9290 -33.18643 11.40894 
1 1 1   26    7   16 o  288.145   7.1856  224.629   11.188   0.0000   0.0000  224.629   11.188  ?   ?   288.145   7.1856      ?      ? 
1 1 1   26    7   17 o  192.885   6.9707  100.653   7.2654   0.0000   0.0000  100.653   7.2654  ?   ?   192.885   6.9707      ?      ? 
1 1 1   26    7   18 o   46.184   9.4225   4.8909   2.8867   0.1265   3.9370   10.430   4.2450   31.559   13.361   60.809   13.290 -29.25017 18.84501 
1 1 1   26    7   19 o  522.979   9.8986  741.152   27.973   0.0000   0.0000  741.152   27.973  ?   ?   522.979   9.8986      ?      ? 
1 1 1   26    7   20 o  131.036   19.573   46.982   13.859   0.0000   0.0000   46.982   13.859  ?   ?   131.036   19.573      ?      ? 
1 1 1   26    7   21 o  288.318   12.483  225.901   19.449   0.0000   0.0000  225.901   19.449  ?   ?   288.318   12.483      ?      ? 
1 1 1   26    7   22 o  542.609   15.109  802.928   44.300   0.0000   0.0000  802.928   44.300  ?   ?   542.609   15.109      ?      ? 
1 1 1   26    7   23 o  573.468   15.722  898.198   48.719   0.0000   0.0000  898.198   48.719  ?   ?   573.468   15.722      ?      ? 
1 1 1   26    7   24 o  274.398   13.083  205.090   19.399   0.0000   0.0000  205.090   19.399  ?   ?   274.398   13.083      ?      ? 
1 1 1   26    7   26 o  152.337   10.416   63.113   8.5739   0.0000   0.0000   63.113   8.5739  ?   ?   152.337   10.416      ?      ? 
1 1 1   26    7   27 o  125.868   12.089   43.206   8.2223   0.0000   0.0000   43.206   8.2223  ?   ?   125.868   12.089      ?      ? 
1 1 1   26    7   29 o  129.021   11.786   45.434   8.2171   0.0000   0.0000   45.434   8.2171  ?   ?   129.021   11.786      ?      ? 
1 1 1   26    7   30 o  147.640   10.566   59.443   8.4292   0.0000   0.0000   59.443   8.4292  ?   ?   147.640   10.566      ?      ? 
1 1 1   26    7   31 o  228.651   8.7932  142.266   10.864   0.0000   0.0000  142.266   10.864  ?   ?   228.651   8.7932      ?      ? 
1 1 1   26    7   33 o  143.561   11.244   56.422   8.7222   0.0000   0.0000   56.422   8.7222  ?   ?   143.561   11.244      ?      ? 
1 1 1   26    7   35 o   60.315   20.121   9.9693   7.6898   0.0000   0.0000   9.9693   7.6898  ?   ?    60.315   20.121      ?      ? 
1 1 1   26    7   36 o  117.945   13.223   38.517   8.4273   0.0000   0.0000   38.517   8.4273  ?   ?   117.945   13.223      ?      ? 
1 1 1   26    7   37 o   70.992   19.956   14.883   7.9741   0.0000   0.0000   14.883   7.9741  ?   ?    70.992   19.956      ?      ? 
1 1 1   26    7   38 o   83.066   18.515   20.442   8.0985   0.0000   0.0000   20.442   8.0985  ?   ?    83.066   18.515      ?      ? 
1 1 1   26    7   39 o  123.419   12.791   42.414   8.5306   0.0000   0.0000   42.414   8.5306  ?   ?   123.419   12.791      ?      ? 
1 1 1   26    7   40 o  139.923   11.983   54.457   9.0606   0.0000   0.0000   54.457   9.0606  ?   ?   139.923   11.983      ?      ? 
1 1 1   26    7   41 o  143.315   11.967   57.262   9.2676   0.0000   0.0000   57.262   9.2676  ?   ?   143.315   11.967      ?      ? 
1 1 1   26    7   42 o   44.387   13.101   1.6615   5.2581  -0.5137   7.0608   4.3697   7.8785   39.790   17.374   48.983   19.612 -9.192463 26.20143 
1 1 1   26    7   43 o  214.656   5.9104  122.436   6.0000  135.811   12.071  118.046   6.9149  221.303   10.094  208.008   6.1520 13.29495 11.82072 
1 1 1   26    7   44 o  164.833   6.0846   74.170   5.4196   0.0000   0.0000   74.170   5.4196  ?   ?   164.833   6.0846      ?      ? 
1 1 1   26    7   45 o  143.722   6.4342   56.500   4.9969   0.0000   0.0000   56.500   4.9969  ?   ?   143.722   6.4342      ?      ? 
1 1 1   26    7   46 o   88.647   6.3947   21.530   3.0328   23.356   4.6963   20.224   3.9721   91.732   9.4744   85.563   8.5911 6.168839 12.78948 
1 1 1   26    7   47 o  127.882   5.2957   44.780   3.6486   49.006   5.4112   41.257   4.9405  133.376   7.5081  122.389   7.4704 10.98630 10.59145 
1 1 1   26    7   48 o  167.278   4.9522   76.961   4.4761   77.607   6.3765   76.333   6.2847  167.961   7.0257  166.595   6.9813 1.366302 9.904489 
1 1 1   26    7   49 o  107.857   6.4414   32.561   3.7504   33.511   5.4538   31.708   5.1656  109.295   9.2345  106.419   8.9828 2.876099 12.88281 
1 1 1   26    7   50 o   97.329   7.4155   26.737   3.8979   25.566   5.4291   27.982   5.5997   95.102   10.565   99.557   10.409 -4.455307 14.83092 
1 1 1   26    7   51 o   93.318   8.0223   24.878   4.0430   25.396   5.6677   24.340   5.7691   94.413   11.109   92.224   11.576 2.188889 16.04466 
1 1 1   26    7   52 o   33.031   10.395  -0.3952   3.7382   0.0251   5.3673  -0.7912   5.2096   33.834   14.948   32.228   14.450 1.606079 20.79043 
1 1 1   26    7   53 f   49.510   11.595   7.1092   3.8871   11.582   5.6233   3.0158   5.3793   59.702   16.750   39.319   16.038 20.38260 23.18963 
1 1 1   26    7   54 o   44.893   11.828   6.0646   3.8642   7.0483   5.4436   5.0653   5.4864   47.073   16.864   42.713   16.589 4.360329 23.65598 
1 1 1   26    8    0 o   81.740   16.221   18.754   6.9121   0.0000   0.0000   18.754   6.9121  ?   ?    81.740   16.221      ?      ? 
1 1 1   26    8    1 o  611.075   9.6098  1008.88   30.159  1003.06   37.203  1020.04   51.508  608.754   11.310  613.395   15.540 -4.640930 19.21970 
1 1 1   26    8    2 o  183.539   10.902   91.171   10.812   0.0000   0.0000   91.171   10.812  ?   ?   183.539   10.902      ?      ? 
1 1 1   26    8    3 o  206.422   5.9859  114.603   6.6415  121.247   10.022  109.400   8.8687  211.719   8.7598  201.125   8.1603 10.59341 11.97177 
1 1 1   26    8    4 o  615.328   7.9844  1020.67   26.480  966.597   35.905  1085.16   39.209  597.554   11.119  633.103   11.461 -35.54913 15.96873 
1 1 1   26    8    5 f  454.658   8.9904  559.245   22.088   0.0000   0.0000  559.245   22.088  ?   ?   454.658   8.9904      ?      ? 
1 1 1   26    8    6 o  404.163   6.0893  441.139   13.285  414.416   18.396  470.265   19.205  391.387   8.6981  416.938   8.5243 -25.55035 12.17864 
1 1 1   26    8    7 o  176.691   5.9667   84.493   5.6693   84.099   8.4323   84.817   7.6587  176.305   8.8511  177.078   8.0039 -0.7733612 11.93331 
1 1 1   26    8    8 o  333.748   5.6575  301.693   10.190  289.685   14.585  313.143   14.242  327.240   8.2479  340.256   7.7461 -13.01660 11.31507 
1 1 1   26    8    9 o  825.131   10.218  1843.39   45.511  1784.19   62.591  1909.80   66.293  811.135   14.280  839.128   14.620 -27.99231 20.43697 
1 1 1   26    8   10 o  600.748   10.987  977.236   35.667   0.0000   0.0000  977.236   35.667  ?   ?   600.748   10.987      ?      ? 
1 1 1   26    8   11 o  518.779   7.0361  725.457   19.681  680.321   26.788  778.393   29.011  501.326   9.8886  536.232   10.012 -34.90582 14.07214 
1 1 1   26    8   12 o  166.042   5.9498   76.304   5.2105   59.577   7.5778   91.305   7.1762  148.354   9.4527  183.730   7.2281 -35.37521 11.89955 
1 1 1   26    8   13 o  395.465   5.9861  423.342   12.786  406.888   18.039  439.954   18.125  387.730   8.6098  403.201   8.3190 -15.47043 11.97223 
1 1 1   26    8   15 o  136.188   5.9193   50.719   4.2865   46.962   6.5365   53.553   5.6779  131.693   9.1853  140.684   7.4689 -8.991180 11.83870 
1 1 1   26    8   16 o  350.864   5.5918  333.275   10.596  320.050   14.965  346.570   15.005  343.871   8.0537  357.857   7.7595 -13.98657 11.18359 
1 1 1   26    8   17 o   27.105   8.6512  -2.5247   2.7841  -5.3878   4.2494  -0.3713   3.6852   24.657   11.719   29.552   12.729 -4.895094 17.30245 
1 1 1   26    8   18 o  268.355   5.0683  194.709   7.3415  182.210   10.233  207.968   10.539  259.479   7.2979  277.230   7.0351 -17.75073 10.13667 
1 1 1   26    8   19 o  151.282   4.4786   62.397   3.6306   57.014   5.3401   67.024   4.9508  145.152   6.8083  157.412   5.8204 -12.25955 8.957121 
1 1 1   26    8   20 o  291.258   8.1644  229.774   12.850   0.0000   0.0000  229.774   12.850  ?   ?   291.258   8.1644      ?      ? 
1 1 1   26    8   22 o  189.405   9.1177   97.281   9.3318   0.0000   0.0000   97.281   9.3318  ?   ?   189.405   9.1177      ?      ? 
1 1 1   26    8   23 o  299.460   8.3343  243.089   13.486   0.0000   0.0000  243.089   13.486  ?   ?   299.460   8.3343      ?      ? 
1 1 1   26    8   24 o  386.122   8.7099  404.426   18.173   0.0000   0.0000  404.426   18.173  ?   ?   386.122   8.7099      ?      ? 
1 1 1   26    8   25 o  217.455   8.5794  128.325   10.081   0.0000   0.0000  128.325   10.081  ?   ?   217.455   8.5794      ?      ? 
1 1 1   26    8   26 o  221.028   8.6901  132.633   10.379   0.0000   0.0000  132.633   10.379  ?   ?   221.028   8.6901      ?      ? 
1 1 1   26    8   28 o   49.299   19.469   3.9231   7.6618   0.0000   0.0000   3.9231   7.6618  ?   ?    49.299   19.469      ?      ? 
1 1 1   26    8   29 o  173.605   10.072   82.101   9.4487   0.0000   0.0000   82.101   9.4487  ?   ?   173.605   10.072      ?      ? 
1 1 1   26    8   30 o   57.173   20.341   8.0593   7.9064   0.0000   0.0000   8.0593   7.9064  ?   ?    57.173   20.341      ?      ? 
1 1 1   26    8   32 o   60.833   20.239   9.9980   7.7824   0.0000   0.0000   9.9980   7.7824  ?   ?    60.833   20.239      ?      ? 
1 1 1   26    8   37 o  131.738   12.690   48.146   9.0336   0.0000   0.0000   48.146   9.0336  ?   ?   131.738   12.690      ?      ? 
1 1 1   26    8   38 o   52.559   20.198   5.9923   8.0674   0.0000   0.0000   5.9923   8.0674  ?   ?    52.559   20.198      ?      ? 
1 1 1   26    8   39 o  144.187   11.848   57.712   9.2313   0.0000   0.0000   57.712   9.2313  ?   ?   144.187   11.848      ?      ? 
1 1 1   26    8   41 o   72.705   20.781   16.152   8.5729   0.0000   0.0000   16.152   8.5729  ?   ?    72.705   20.781      ?      ? 
1 1 1   26    8   43 o  176.016   8.4611   87.709   7.9372   92.725   10.600   81.306   11.975  182.427   10.753  169.605   13.067 12.82199 16.92220 
1 1 1   26    8   44 o   44.278   11.503   3.6532   2.3006   7.5901   7.8216   3.2803   2.4071   53.929   20.072   34.628   11.243 19.30091 23.00608 
1 1 1   26    8   45 o  126.697   4.9976   43.607   3.3713   46.342   5.3019   41.750   4.3681  129.870   7.5551  123.525   6.5442 6.345520 9.995252 
1 1 1   26    8   46 o  121.741   5.4413   41.255   3.5282   37.745   5.3180   44.014   4.7155  116.837   8.4233  126.646   6.8905 -9.809319 10.88260 
1 1 1   26    8   47 o   81.609   8.3532   20.387   3.3198   13.668   5.1007   25.325   4.3727   67.600   14.404   95.618   8.4630 -28.01858 16.70638 
1 1 1   26    8   48 o  100.404   6.6358   27.905   3.5789   31.820   5.4165   24.871   4.7679  106.573   9.4056   94.236   9.3631 12.33708 13.27156 
1 1 1   26    8   49 o   70.050   9.8096   14.548   3.5670   17.291   5.3879   12.409   4.7594   76.110   13.600   63.990   14.141 12.11994 19.61918 
1 1 1   26    8   50 o   77.233   9.6793   17.522   3.9492   19.139   5.7169   16.046   5.4620   81.414   12.995   73.051   14.349 8.362740 19.35856 
1 1 1   26    8   51 o   60.991   10.454   11.595   3.9111   4.1578   5.5702   18.826   5.4928   42.021   16.598   79.961   12.712 -37.94015 20.90701 
1 1 1   26    8   52 o   37.853   11.084   2.0825   3.8479  -0.8592   5.6739   4.5875   5.2359   33.666   15.089   42.041   16.240 -8.374645 22.16792 
1 1 1   26    8   53 o  155.086   5.8083   67.708   4.8610   70.117   7.1001   65.582   6.6692  157.578   8.3384  152.593   8.0882 4.985565 11.61669 
1 1 1   26    9    0 o  127.788   18.482   44.369   12.762   0.0000   0.0000   44.369   12.762  ?   ?   127.788   18.482      ?      ? 
1 1 1   26    9    1 o  249.601   10.668  168.649   14.389  168.649   14.389   0.0000   0.0000  249.601   10.668  ?   ?       ?      ? 
1 1 1   26    9    2 o  501.696   8.2930  675.765   21.361  663.141   26.261  700.450   36.724  495.009   9.8178  508.383   13.368 -13.37375 16.58592 
1 1 1   26    9    3 o  324.725   6.5990  284.954   11.325  283.517   14.551  287.162   18.036  323.739   8.3176  325.711   10.247 -1.971680 13.19806 
1 1 1   26    9    4 o  133.753   7.6351   47.980   5.4800   52.221   8.3682   44.796   7.2512  138.870   11.152  128.637   10.432 10.23218 15.27013 
1 1 1   26    9    5 o  548.784   7.3750  813.197   21.840  773.604   29.960  858.098   31.906  534.572   10.372  562.997   10.488 -28.42444 14.74997 
1 1 1   26    9    6 o  326.111   5.7462  287.610   10.106  263.987   14.125  312.386   14.466  312.383   8.3680  339.839   7.8773 -27.45563 11.49237 
1 1 1   26    9    7 o  212.924   5.7379  123.145   6.5706  116.032   9.5946  129.426   9.0167  207.095   8.5737  218.753   7.6279 -11.65758 11.47578 
1 1 1   26    9    8 o  390.484   6.0541  412.694   12.765  393.900   18.029  431.588   18.077  381.555   8.7442  399.414   8.3754 -17.85968 12.10820 
1 1 1   26    9    9 o  337.564   5.6508  308.492   10.299  296.380   14.638  320.366   14.494  330.988   8.1844  344.141   7.7939 -13.15353 11.30169 
1 1 1   26    9   13 o  143.111   9.1663   55.457   7.0885   55.457   7.0885   0.0000   0.0000  143.111   9.1663  ?   ?       ?      ? 
1 1 1   26    9   14 o  174.273   5.4266   82.379   5.0923   79.580   7.4471   84.837   6.9787  171.473   8.0372  177.073   7.2935 -5.599823 10.85322 
1 1 1   26    9   15 o  158.140   5.4945   68.215   4.6537   62.559   6.8721   73.005   6.3246  152.016   8.3658  164.263   7.1253 -12.24661 10.98897 
1 1 1   26    9   16 o  125.441   5.8900   42.775   3.9527   41.287   5.9714   43.935   5.2735  123.472   8.9499  127.410   7.6596 -3.937973 11.78007 
1 1 1   26    9   17 f   90.818   6.8668   22.364   3.3377   22.258   5.0770   22.444   4.4294   90.611   10.369   91.026   9.0052 -0.4152145 13.73364 
1 1 1   26    9   18 o   48.498   9.7515   6.2473   2.7153   8.8269   4.1577   4.3287   3.5856   55.876   13.842   41.121   13.740 14.75450 19.50303 
1 1 1   26    9   19 f   92.879   5.5781   22.297   2.7205   31.577   4.3606   16.383   3.4810  107.990   7.4726   77.767   8.2836 30.22370 11.15611 
1 1 1   26    9   25 o  367.622   8.7295  366.927   17.341   0.0000   0.0000  366.927   17.341  ?   ?   367.622   8.7295      ?      ? 
1 1 1   26    9   27 o  152.410   10.589   63.261   8.7210   0.0000   0.0000   63.261   8.7210  ?   ?   152.410   10.589      ?      ? 
1 1 1   26    9   28 o   57.155   20.063   8.1687   7.6694   0.0000   0.0000   8.1687   7.6694  ?   ?    57.155   20.063      ?      ? 
1 1 1   26    9   29 o   51.272   19.703   5.1368   7.6771   0.0000   0.0000   5.1368   7.6771  ?   ?    51.272   19.703      ?      ? 
1 1 1   26    9   31 o  161.368   10.580   71.155   9.2251   0.0000   0.0000   71.155   9.2251  ?   ?   161.368   10.580      ?      ? 
1 1 1   26    9   33 o  175.413   10.403   84.279   9.8606   0.0000   0.0000   84.279   9.8606  ?   ?   175.413   10.403      ?      ? 
1 1 1   26    9   35 o   83.368   19.778   20.577   8.7753   0.0000   0.0000   20.577   8.7753  ?   ?    83.368   19.778      ?      ? 
1 1 1   26    9   36 o  121.562   13.705   41.129   9.0026   0.0000   0.0000   41.129   9.0026  ?   ?   121.562   13.705      ?      ? 
1 1 1   26    9   37 f   68.352   21.037   13.805   8.5312   0.0000   0.0000   13.805   8.5312  ?   ?    68.352   21.037      ?      ? 
1 1 1   26    9   39 o   70.307   20.582   14.938   8.3193   0.0000   0.0000   14.938   8.3193  ?   ?    70.307   20.582      ?      ? 
1 1 1   26    9   40 o  206.204   9.9611  117.429   11.099   0.0000   0.0000  117.429   11.099  ?   ?   206.204   9.9611      ?      ? 
1 1 1   26    9   41 o   81.498   19.452   20.256   8.4473   0.0000   0.0000   20.256   8.4473  ?   ?    81.498   19.452      ?      ? 
1 1 1   26    9   42 o   49.016   20.028   3.9210   8.4081   0.0000   0.0000   3.9210   8.4081  ?   ?    49.016   20.028      ?      ? 
1 1 1   26    9   43 o   67.851   15.178   13.860   6.1179   12.133   7.8159   16.592   9.8307   63.225   20.233   72.477   22.629 -9.251873 30.35501 
1 1 1   26    9   44 o  159.674   9.1096   73.104   7.7254   77.883   10.268   66.869   11.728  166.571   11.408  152.777   14.206 13.79419 18.21917 
1 1 1   26    9   45 f   48.441   11.023   7.0919   2.8365   2.0689   7.9543   7.8237   3.0361   44.980   19.014   51.903   11.157 -6.922962 22.04582 
1 1 1   26    9   46 o  182.341   6.4786   91.151   6.3834   0.0000   0.0000   91.151   6.3834  ?   ?   182.341   6.4786      ?      ? 
1 1 1   26    9   47 o   55.280   10.469   9.2986   3.1515   8.7263   5.0654   9.6600   4.0255   53.670   16.148   56.889   13.328 -3.219219 20.93823 
1 1 1   26    9   48 o  173.244   5.2633   83.306   4.9149   78.445   7.0488   87.906   6.8567  168.132   7.7585  178.357   7.1144 -10.22545 10.52657 
1 1 1   26    9   49 o  111.135   7.0517   35.069   4.1819   29.443   5.9869   40.431   5.8440  101.932   10.869  120.337   8.9871 -18.40520 14.10350 
1 1 1   26    9   50 o  141.778   6.0953   56.221   4.6290   47.285   6.4619   65.640   6.6342  129.859   9.2088  153.697   7.9880 -23.83781 12.19057 
1 1 1   26    9   51 o   42.198   10.283   1.2309   3.7799   11.904   5.6118  -7.6327   5.1141   59.792   16.718   24.604   11.980 35.18822 20.56679 
1 1 1   26    9   52 o  113.682   7.4270   37.812   4.4250   28.089   6.3037   47.257   6.2130   98.031   11.900  129.333   8.8900 -31.30226 14.85406 
1 1 1   26    9   53 o   87.295   9.3382   23.578   4.2215   19.318   6.0052   27.741   5.9357   77.725   14.839   96.864   11.340 -19.13919 18.67630 
1 1 1   26   10    0 o   54.009   16.931  -4.6299   9.7851 -10.8896   15.804  -0.7383   12.461   53.272   24.389   54.747   23.491 -1.475807 33.86217 
1 1 1   26   10    1 o  267.049   12.929  193.266   18.657   0.0000   0.0000  193.266   18.657  ?   ?   267.049   12.929      ?      ? 
1 1 1   26   10    2 o  318.855   6.7765  276.731   11.136  269.820   18.706  280.524   13.859  315.672   10.966  322.038   7.9638 -6.365906 13.55298 
1 1 1   26   10    3 o  336.728   6.7463  302.492   11.904  289.872   14.953  324.324   19.668  327.336   8.4537  346.120   10.516 -18.78375 13.49265 
1 1 1   26   10    4 o  498.765   6.9612  672.767   18.754  649.347   26.110  697.723   26.953  489.804   9.8651  507.725   9.8242 -17.92130 13.92246 
1 1 1   26   10    5 o  260.502   5.6371  184.206   7.9074  170.497   11.353  197.123   11.020  251.040   8.3692  269.964   7.5540 -18.92416 11.27416 
1 1 1   26   10    6 o  195.392   5.9123  103.389   6.2050  102.384   9.2740  104.204   8.3492  194.516   8.8231  196.268   7.8724 -1.751831 11.82462 
1 1 1   26   10    7 o  328.439   5.7561  292.281   10.199  282.388   14.694  301.477   14.167  323.052   8.4175  333.825   7.8534 -10.77255 11.51216 
1 1 1   26   10    8 o  203.834   5.7666  112.645   6.3100  110.419   9.4306  114.449   8.4906  201.989   8.6402  205.679   7.6394 -3.690552 11.53314 
1 1 1   26   10   10 o  151.051   6.4624   62.079   5.1858   60.070   8.0413   63.509   6.7852  148.917   9.9930  153.185   8.1971 -4.267960 12.92483 
1 1 1   26   10   11 o  472.475   6.6931  604.343   17.081  580.796   23.931  628.801   24.389  463.085   9.5633  481.866   9.3667 -18.78137 13.38624 
1 1 1   26   10   12 o  353.869   5.7800  338.921   11.043  320.478   15.502  357.923   15.735  344.083   8.3375  363.656   8.0075 -19.57315 11.56003 
1 1 1   26   10   13 o  164.927   5.8468   74.213   5.1669   67.628   7.5938   79.890   7.0506  158.036   8.8923  171.818   7.5940 -13.78148 11.69367 
1 1 1   26   10   15 o  304.838   5.5089  252.078   9.0523  241.783   13.097  261.495   12.526  298.842   8.1102  310.834   7.4577 -11.99216 11.01782 
1 1 1   26   10   16 o  149.034   7.5935   60.128   6.1153   0.0000   0.0000   60.128   6.1153  ?   ?   149.034   7.5935      ?      ? 
1 1 1   26   10   17 o  193.143   7.1177  100.979   7.4286   0.0000   0.0000  100.979   7.4286  ?   ?   193.143   7.1177      ?      ? 
1 1 1   26   10   18 o  216.963   6.9132  127.428   8.1050   0.0000   0.0000  127.428   8.1050  ?   ?   216.963   6.9132      ?      ? 
1 1 1   26   10   19 o  514.712   8.1582  715.500   21.407  733.108   37.227  706.801   26.166  518.940   13.276  510.484   9.4858 8.456573 16.31637 
1 1 1   26   10   20 o  119.525   5.6949   38.657   3.6782   0.0000   0.0000   38.657   3.6782  ?   ?   119.525   5.6949      ?      ? 
1 1 1   26   10   21 o  216.824   6.0109  127.247   7.0426   0.0000   0.0000  127.247   7.0426  ?   ?   216.824   6.0109      ?      ? 
1 1 1   26   10   26 o  207.536   9.1917  117.080   10.308   0.0000   0.0000  117.080   10.308  ?   ?   207.536   9.1917      ?      ? 
1 1 1   26   10   28 o   97.329   15.920   26.181   8.3730   0.0000   0.0000   26.181   8.3730  ?   ?    97.329   15.920      ?      ? 
1 1 1   26   10   29 o  212.843   9.3316  123.420   10.733   0.0000   0.0000  123.420   10.733  ?   ?   212.843   9.3316      ?      ? 
1 1 1   26   10   30 o  154.270   11.598   65.179   9.6685   0.0000   0.0000   65.179   9.6685  ?   ?   154.270   11.598      ?      ? 
1 1 1   26   10   32 o  127.803   13.113   45.087   9.0561   0.0000   0.0000   45.087   9.0561  ?   ?   127.803   13.113      ?      ? 
1 1 1   26   10   33 o  163.668   11.244   73.625   9.9446   0.0000   0.0000   73.625   9.9446  ?   ?   163.668   11.244      ?      ? 
1 1 1   26   10   34 f  159.178   11.503   69.769   9.8939   0.0000   0.0000   69.769   9.8939  ?   ?   159.178   11.503      ?      ? 
1 1 1   26   10   35 o  117.947   14.748   38.875   9.3996   0.0000   0.0000   38.875   9.3996  ?   ?   117.947   14.748      ?      ? 
1 1 1   26   10   36 o  180.438   10.612   89.733   10.347   0.0000   0.0000   89.733   10.347  ?   ?   180.438   10.612      ?      ? 
1 1 1   26   10   39 o  120.370   14.137   40.889   9.1951   0.0000   0.0000   40.889   9.1951  ?   ?   120.370   14.137      ?      ? 
1 1 1   26   10   40 o   42.547   18.647  -0.6645   8.1992   0.0000   0.0000  -0.6645   8.1992  ?   ?    42.547   18.647      ?      ? 
1 1 1   26   10   41 o  176.464   10.990   86.752   10.480   0.0000   0.0000   86.752   10.480  ?   ?   176.464   10.990      ?      ? 
1 1 1   26   10   42 o  154.862   11.982   67.383   10.027   0.0000   0.0000   67.383   10.027  ?   ?   154.862   11.982      ?      ? 
1 1 1   26   10   43 o  169.034   9.0029   82.080   8.0228   87.410   10.504   74.617   12.429  176.704   11.001  161.363   14.255 15.34067 18.00579 
1 1 1   26   10   44 o  125.964   10.875   46.594   7.1821   49.437   9.3177   42.432   11.274  131.930   13.070  119.997   17.386 11.93314 21.75096 
1 1 1   26   10   45 o   53.629   11.173   8.9922   2.9049   5.2860   7.9768   9.5589   3.1191   49.627   19.780   57.631   10.398 -8.004173 22.34682 
1 1 1   26   10   46 o  126.727   5.5569   45.049   3.7389   39.078   5.5781   49.919   5.0381  118.674   8.6985  134.781   6.9176 -16.10693 11.11381 
1 1 1   26   10   47 o  121.573   6.1294   42.064   3.9341   35.937   5.9348   46.867   5.2545  113.020   9.7178  130.126   7.4727 -17.10647 12.25873 
1 1 1   26   10   48 o   34.055   10.358  -0.0776   3.3926   2.4650   5.4570  -1.6795   4.3315   39.241   16.096   28.869   13.040 10.37180 20.71512 
1 1 1   26   10   49 f  201.812   7.3207  112.466   7.9833   0.0000   0.0000  112.466   7.9833  ?   ?   201.812   7.3207      ?      ? 
1 1 1   26   10   50 o   28.654   9.5065  -3.9943   3.6844  -3.3236   5.5778  -4.5135   4.9074   30.385   14.116   26.923   12.737 3.462643 19.01300 
1 1 1   26   10   51 o   25.235   8.7106  -8.6177   3.8415  -7.5025   5.7475  -9.5183   5.1646   26.956   13.024   23.515   11.571 3.440912 17.42126 
1 1 1   26   10   52 o  144.757   8.7324   59.517   6.8306   0.0000   0.0000   59.517   6.8306  ?   ?   144.757   8.7324      ?      ? 
1 1 1   26   11    0 o  264.740   7.8279  191.681   10.587  195.712   13.075  184.009   18.039  268.928   8.9975  260.552   12.812 8.375854 15.65585 
1 1 1   26   11    1 o  176.729   12.919   78.202   11.826  112.815   20.539   61.036   14.465  203.633   18.666  149.825   17.866 53.80849 25.83845 
1 1 1   26   11    2 o  405.983   12.914  446.847   28.330   0.0000   0.0000  446.847   28.330  ?   ?   405.983   12.914      ?      ? 
1 1 1   26   11    3 o  139.052   8.0810   54.196   5.8600   40.349   8.6418   65.983   7.9731  121.979   13.111  156.124   9.4508 -34.14492 16.16200 
1 1 1   26   11    4 o  197.576   6.7985  106.068   7.2190  109.930   9.8226  101.532   10.645  201.526   9.0200  193.626   10.174 7.899506 13.59690 
1 1 1   26   11    5 o  308.234   5.7980  256.945   9.6399  259.714   14.093  254.511   13.215  309.780   8.4189  306.688   7.9743 3.092072 11.59597 
1 1 1   26   11    6 o   79.046   11.927   17.575   4.9403   19.921   7.1839   15.469   6.8049   84.168   16.385   73.925   17.336 10.24303 23.85323 
1 1 1   26   11    7 o  236.831   5.6760  152.095   7.2296  148.469   10.688  155.154   9.8160  234.202   8.4452  239.459   7.5861 -5.256897 11.35207 
1 1 1   26   11    8 f  101.658   9.4587   27.476   4.8896   39.841   7.6347   18.878   6.3667  121.216   11.656   82.100   14.900 39.11678 18.91731 
1 1 1   26   11    9 o  470.734   9.3300  600.094   23.733   0.0000   0.0000  600.094   23.733  ?   ?   470.734   9.3300      ?      ? 
1 1 1   26   11   10 o  429.870   8.8422  500.337   20.539   0.0000   0.0000  500.337   20.539  ?   ?   429.870   8.8422      ?      ? 
1 1 1   26   11   11 o   82.707   10.841   20.259   4.5468   13.129   6.9452   25.606   6.0150   68.243   18.410   97.171   11.456 -28.92806 21.68299 
1 1 1   26   11   12 o  202.676   5.6947  112.070   6.1788  103.271   9.1610  119.413   8.3689  195.289   8.6811  210.062   7.3728 -14.77310 11.38946 
1 1 1   26   11   14 o  490.220   9.5271  651.286   25.237   0.0000   0.0000  651.286   25.237  ?   ?   490.220   9.5271      ?      ? 
1 1 1   26   11   15 f   95.884   7.7904   25.203   3.9913   22.757   5.9175   27.244   5.4062   91.534   11.964  100.233   9.9814 -8.698402 15.58077 
1 1 1   26   11   16 o  452.954   6.5558  555.734   16.037  530.047   22.344  583.022   23.029  442.155   9.3520  463.752   9.1899 -21.59689 13.11160 
1 1 1   26   11   18 o  130.606   5.6844   45.611   3.9813   51.304   6.1074   41.403   5.2502  137.592   8.2144  123.620   7.8595 13.97198 11.36876 
1 1 1   26   11   19 o  229.524   5.9247  142.575   7.3482   0.0000   0.0000  142.575   7.3482  ?   ?   229.524   5.9247      ?      ? 
1 1 1   26   11   20 o  106.016   6.6069   30.436   3.7849   0.0000   0.0000   30.436   3.7849  ?   ?   106.016   6.6069      ?      ? 
1 1 1   26   11   21 o   40.157   12.275   4.4043   2.9103   0.0000   0.0000   4.4043   2.9103  ?   ?    40.157   12.275      ?      ? 
1 1 1   26   11   22 o  414.779   8.7488  467.086   19.609   0.0000   0.0000  467.086   19.609  ?   ?   414.779   8.7488      ?      ? 
1 1 1   26   11   23 o  274.686   4.8713  204.169   7.2306   0.0000   0.0000  204.169   7.2306  ?   ?   274.686   4.8713      ?      ? 
1 1 1   26   11   26 o   41.656   18.322  -1.8222   7.9789   0.0000   0.0000  -1.8222   7.9789  ?   ?    41.656   18.322      ?      ? 
1 1 1   26   11   27 o   54.393   19.967   6.8095   7.6926   0.0000   0.0000   6.8095   7.6926  ?   ?    54.393   19.967      ?      ? 
1 1 1   26   11   28 o   91.957   16.974   24.167   8.1236   0.0000   0.0000   24.167   8.1236  ?   ?    91.957   16.974      ?      ? 
1 1 1   26   11   29 o  151.480   11.241   62.796   9.2015   0.0000   0.0000   62.796   9.2015  ?   ?   151.480   11.241      ?      ? 
1 1 1   26   11   30 o  192.050   10.180  100.803   10.565   0.0000   0.0000  100.803   10.565  ?   ?   192.050   10.180      ?      ? 
1 1 1   26   11   31 o   78.248   19.649   17.999   8.2966   0.0000   0.0000   17.999   8.2966  ?   ?    78.248   19.649      ?      ? 
1 1 1   26   11   32 o  122.522   13.359   41.549   8.8446   0.0000   0.0000   41.549   8.8446  ?   ?   122.522   13.359      ?      ? 
1 1 1   26   11   33 o   90.563   18.613   24.016   8.8040   0.0000   0.0000   24.016   8.8040  ?   ?    90.563   18.613      ?      ? 
1 1 1   26   11   35 o  183.098   11.109   92.560   10.991   0.0000   0.0000   92.560   10.991  ?   ?   183.098   11.109      ?      ? 
1 1 1   26   11   36 o   74.145   21.411   16.580   9.0580   0.0000   0.0000   16.580   9.0580  ?   ?    74.145   21.411      ?      ? 
1 1 1   26   11   37 o   91.765   19.741   25.342   9.4984   0.0000   0.0000   25.342   9.4984  ?   ?    91.765   19.741      ?      ? 
1 1 1   26   11   39 o   61.155   21.594   10.440   8.8947   0.0000   0.0000   10.440   8.8947  ?   ?    61.155   21.594      ?      ? 
1 1 1   26   11   40 o   70.350   21.441   15.249   8.8877   0.0000   0.0000   15.249   8.8877  ?   ?    70.350   21.441      ?      ? 
1 1 1   26   11   41 o   60.945   21.567   10.654   8.8770   0.0000   0.0000   10.654   8.8770  ?   ?    60.945   21.567      ?      ? 
1 1 1   26   11   42 o   48.594   20.300   3.2117   8.8999   0.0000   0.0000   3.2117   8.8999  ?   ?    48.594   20.300      ?      ? 
1 1 1   26   11   43 o   76.578   21.028   18.545   8.9671   0.0000   0.0000   18.545   8.9671  ?   ?    76.578   21.028      ?      ? 
1 1 1   26   11   44 o   58.810   10.960   11.433   2.8943   5.9910   8.1833   12.211   3.0943   51.209   20.153   66.411   8.6224 -15.20256 21.91998 
1 1 1   26   11   45 o   40.557   11.845   1.9159   3.0309   5.3671   8.2880   1.3831   3.2565   50.157   20.104   30.958   12.533 19.19898 23.69072 
1 1 1   26   11   46 o   97.773   6.7785   27.214   3.4876   24.722   5.4353   28.958   4.5470   93.443   10.764  102.103   8.2414 -8.660110 13.55696 
1 1 1   26   11   47 o   57.909   10.801   10.656   3.4309   8.4053   5.6129   11.999   4.3351   52.496   17.175   63.323   13.101 -10.82678 21.60145 
1 1 1   26   11   48 o   83.577   9.6154   21.990   3.9430   13.201   5.8762   29.188   5.3181   65.130   16.637  102.024   9.6464 -36.89453 19.23088 
1 1 1   26   11   49 o   40.076   15.684   3.6612   4.9327   0.0000   0.0000   3.6612   4.9327  ?   ?    40.076   15.684      ?      ? 
1 1 1   26   11   50 o   60.519   10.685   12.012   3.9704   4.9342   5.8443   18.078   5.4107   43.371   17.043   77.667   12.892 -34.29589 21.36981 
1 1 1   26   11   51 o   43.490   11.350   2.9456   4.0222   10.697   6.1530  -2.8384   5.3150   56.830   17.927   30.150   13.927 26.67985 22.70091 
1 1 1   26   11   52 o   34.662   10.866  -0.0791   4.0303   1.8251   6.0895  -1.5633   5.3762   37.892   16.342   31.432   14.327 6.459448 21.73286 
1 1 1   26   12    0 o  103.604   10.252   29.005   5.6908   30.261   8.7063   28.068   7.5195  105.522   15.269  101.685   13.685 3.837563 20.50387 
1 1 1   26   12    1 o  326.128   12.527  288.513   22.076   0.0000   0.0000  288.513   22.076  ?   ?   326.128   12.527      ?      ? 
1 1 1   26   12    2 f  200.627   12.722  108.509   13.117  113.378   22.534  106.013   16.132  203.751   20.467  197.503   15.115 6.247650 25.44373 
1 1 1   26   12    3 o  311.063   13.162  262.613   22.124   0.0000   0.0000  262.613   22.124  ?   ?   311.063   13.162      ?      ? 
1 1 1   26   12    4 o  561.698   14.552  857.207   44.168   0.0000   0.0000  857.207   44.168  ?   ?   561.698   14.552      ?      ? 
1 1 1   26   12    5 o  240.919   9.8955  157.230   12.882   0.0000   0.0000  157.230   12.882  ?   ?   240.919   9.8955      ?      ? 
1 1 1   26   12    6 o  431.188   6.4755  503.616   15.081  498.405   21.597  508.574   21.067  428.994   9.3167  433.383   8.9960 -4.388977 12.95102 
1 1 1   26   12    7 o  329.735   5.8939  294.402   10.487  274.402   14.733  314.940   14.930  318.364   8.5642  341.107   8.0999 -22.74332 11.78786 
1 1 1   26   12    9 o  278.411   5.7728  210.081   8.6705  196.428   12.272  223.686   12.252  269.352   8.4319  287.470   7.8870 -18.11893 11.54560 
1 1 1   26   12   10 o   55.265   12.943   7.9251   4.5744   5.5833   6.9156   9.7467   6.0992   51.121   18.904   59.409   17.685 -8.287430 25.88630 
1 1 1   26   12   11 o  370.004   8.3383  370.727   16.671   0.0000   0.0000  370.727   16.671  ?   ?   370.004   8.3383      ?      ? 
1 1 1   26   12   12 o  291.111   7.8135  229.459   12.291   0.0000   0.0000  229.459   12.291  ?   ?   291.111   7.8135      ?      ? 
1 1 1   26   12   13 o  100.120   8.2225   27.296   4.3900   26.741   6.7418   27.706   5.7845   99.189   12.578  101.050   10.593 -1.861023 16.44500 
1 1 1   26   12   14 o   59.837   11.293   10.460   3.9650   4.8977   6.1261   14.470   5.2015   47.973   17.781   71.702   13.927 -23.72908 22.58623 
1 1 1   26   12   17 o   96.827   7.4676   25.313   3.8913   28.759   5.7332   22.370   5.2986  102.912   10.310   90.741   10.806 12.17012 14.93527 
1 1 1   26   12   18 o  340.969   5.8800  318.986   10.057  304.955   17.728  325.646   12.213  335.142   9.7890  346.796   6.5172 -11.65298 11.76007 
1 1 1   26   12   19 o  293.825   6.2177  233.766   9.8721   0.0000   0.0000  233.766   9.8721  ?   ?   293.825   6.2177      ?      ? 
1 1 1   26   12   20 o  203.986   5.3478  112.624   5.8948   0.0000   0.0000  112.624   5.8948  ?   ?   203.986   5.3478      ?      ? 
1 1 1   26   12   21 o  160.438   7.2438   69.780   6.2800   0.0000   0.0000   69.780   6.2800  ?   ?   160.438   7.2438      ?      ? 
1 1 1   26   12   22 o  301.428   5.3131  245.935   8.6540   0.0000   0.0000  245.935   8.6540  ?   ?   301.428   5.3131      ?      ? 
1 1 1   26   12   23 o  244.173   7.7931  161.771   10.282   0.0000   0.0000  161.771   10.282  ?   ?   244.173   7.7931      ?      ? 
1 1 1   26   12   24 o   48.910   10.049   6.7499   2.5672   0.0000   0.0000   6.7499   2.5672  ?   ?    48.910   10.049      ?      ? 
1 1 1   26   12   25 o  300.434   5.1268  244.426   8.3231   0.0000   0.0000  244.426   8.3231  ?   ?   300.434   5.1268      ?      ? 
1 1 1   26   12   26 o  303.135   6.2199  249.171   10.188   0.0000   0.0000  249.171   10.188  ?   ?   303.135   6.2199      ?      ? 
1 1 1   26   12   27 o  218.142   9.5822  129.725   11.295   0.0000   0.0000  129.725   11.295  ?   ?   218.142   9.5822      ?      ? 
1 1 1   26   12   28 o   59.405   20.980   8.9322   8.3965   0.0000   0.0000   8.9322   8.3965  ?   ?    59.405   20.980      ?      ? 
1 1 1   26   12   29 o  101.574   16.281   28.718   8.9360   0.0000   0.0000   28.718   8.9360  ?   ?   101.574   16.281      ?      ? 
1 1 1   26   12   31 o  223.084   9.8579  136.260   11.883   0.0000   0.0000  136.260   11.883  ?   ?   223.084   9.8579      ?      ? 
1 1 1   26   12   33 o   96.648   18.391   27.337   9.2540   0.0000   0.0000   27.337   9.2540  ?   ?    96.648   18.391      ?      ? 
1 1 1   26   12   35 o  100.983   18.331   30.024   9.6344   0.0000   0.0000   30.024   9.6344  ?   ?   100.983   18.331      ?      ? 
1 1 1   26   12   36 o  155.602   12.519   67.516   10.526   0.0000   0.0000   67.516   10.526  ?   ?   155.602   12.519      ?      ? 
1 1 1   26   12   37 o  129.084   14.637   47.160   10.209   0.0000   0.0000   47.160   10.209  ?   ?   129.084   14.637      ?      ? 
1 1 1   26   12   38 o   69.631   21.800   14.711   9.1169   0.0000   0.0000   14.711   9.1169  ?   ?    69.631   21.800      ?      ? 
1 1 1   26   12   40 o  116.449   15.307   38.974   9.6322   0.0000   0.0000   38.974   9.6322  ?   ?   116.449   15.307      ?      ? 
1 1 1   26   12   41 o   53.387   21.271   6.1199   9.2213   0.0000   0.0000   6.1199   9.2213  ?   ?    53.387   21.271      ?      ? 
1 1 1   26   12   42 o   74.983   22.450   17.969   9.8077   0.0000   0.0000   17.969   9.8077  ?   ?    74.983   22.450      ?      ? 
1 1 1   26   12   43 o   48.086   11.562   6.7639   2.9673   0.0000   0.0000   6.7639   2.9673  ?   ?    48.086   11.562      ?      ? 
1 1 1   26   12   44 o  164.529   6.6720   77.803   4.0515   72.027   10.709   78.768   4.3768  158.990   12.465  170.068   4.7627 -11.07768 13.34410 
1 1 1   26   12   45 o   46.775   11.029   6.1807   2.3462   2.5676   8.6646   6.4666   2.4373   46.336   19.727   47.214   9.8709 -0.8775978 22.05868 
1 1 1   26   12   46 o  127.314   8.6677   50.208   4.8569   40.045   9.7762   53.538   5.5965  115.574   15.654  139.053   7.4481 -23.47845 17.33549 
1 1 1   26   12   47 o   54.694   9.3010   8.3874   3.8075  -4.3094   5.8706   17.606   5.0023   30.872   14.388   78.516   11.790 -47.64442 18.60195 
1 1 1   26   12   48 o   29.878   9.7454  -3.0858   3.6664  -4.3075   5.4919  -2.1035   4.9246   29.498   13.803   30.257   13.761 -0.7594624 19.49083 
1 1 1   26   12   49 o   54.701   11.706   10.025   3.9174   6.7835   5.8542   12.654   5.2715   47.075   17.395   62.328   15.669 -15.25372 23.41187 
1 1 1   26   12   50 o   99.046   8.0966   28.407   4.3211   29.918   6.4086   27.148   5.8513  101.292   11.708   96.800   11.186 4.491379 16.19329 
1 1 1   26   12   51 o   39.436   10.955   2.1059   3.9969  -4.8256   5.8828   8.0490   5.4472   29.353   13.904   49.520   16.933 -20.16686 21.90999 
1 1 1   26   13    0 o  234.111   6.3784  149.932   7.9798  127.400   11.477  171.020   11.103  216.862   9.7938  251.360   8.1743 -34.49817 12.75681 
1 1 1   26   13    1 o  158.154   7.7989   66.894   6.6187   76.364   10.098   59.761   8.7638  167.830   11.135  148.479   10.923 19.35121 15.59771 
1 1 1   26   13    2 o  441.171   9.1957  527.108   21.922   0.0000   0.0000  527.108   21.922  ?   ?   441.171   9.1957      ?      ? 
1 1 1   26   13    3 o  276.889   13.387  208.198   20.030   0.0000   0.0000  208.198   20.030  ?   ?   276.889   13.387      ?      ? 
1 1 1   26   13    4 o  154.973   18.942   65.563   15.862   0.0000   0.0000   65.563   15.862  ?   ?   154.973   18.942      ?      ? 
1 1 1   26   13    5 o  110.506   17.113   34.244   8.3428   33.649   18.721   34.392   9.3194  108.580   30.596  112.432   15.339 -3.852226 34.22583 
1 1 1   26   13    6 o  169.684   7.3906   78.232   6.7513   80.441   9.2379   75.698   9.8911  172.289   9.9226  167.078   10.956 5.211456 14.78121 
1 1 1   26   13    7 o  372.698   6.0990  376.263   12.279  365.134   17.365  387.392   17.365  367.172   8.7521  378.224   8.4967 -11.05191 12.19806 
1 1 1   26   13    8 o  401.988   6.3301  437.807   13.747  425.560   19.401  450.156   19.481  396.329   9.0590  407.648   8.8439 -11.31863 12.66018 
1 1 1   26   13    9 o   52.375   12.393   5.0267   4.6928   12.704   6.9438  -1.4279   6.3668   67.139   18.532   37.610   16.458 29.52987 24.78549 
1 1 1   26   13   10 o  290.791   5.8011  228.949   9.0957  230.451   13.329  227.639   12.443  291.660   8.4571  289.921   7.9428 1.738831 11.60216 
1 1 1   26   13   12 o   48.605   11.995   4.5226   4.4043  -1.9285   6.4979   10.005   5.9904   37.314   16.468   59.895   17.446 -22.58119 23.99049 
1 1 1   26   13   13 o  180.477   8.1997   88.261   7.9966   0.0000   0.0000   88.261   7.9966  ?   ?   180.477   8.1997      ?      ? 
1 1 1   26   13   14 o  154.244   6.3556   63.157   5.2405   76.632   8.0965   53.442   6.8747  168.109   8.9129  140.379   9.0629 27.73032 12.71125 
1 1 1   26   13   15 o  189.997   7.9454   97.830   8.1574   0.0000   0.0000   97.830   8.1574  ?   ?   189.997   7.9454      ?      ? 
1 1 1   26   13   16 o  264.447   7.6859  189.523   10.983   0.0000   0.0000  189.523   10.983  ?   ?   264.447   7.6859      ?      ? 
1 1 1   26   13   17 f  246.790   5.4507  165.473   7.2522  154.806   10.355  175.743   10.160  238.932   8.0201  254.648   7.3838 -15.71570 10.90146 
1 1 1   26   13   18 o  111.651   6.9512   35.674   3.9741   24.887   5.9743   44.236   5.3226   95.581   11.567  127.721   7.7121 -32.14024 13.90239 
1 1 1   26   13   19 o  186.929   5.7969   94.612   5.8554   0.0000   0.0000   94.612   5.8554  ?   ?   186.929   5.7969      ?      ? 
1 1 1   26   13   20 o  123.918   6.7424   41.610   4.5148   0.0000   0.0000   41.610   4.5148  ?   ?   123.918   6.7424      ?      ? 
1 1 1   26   13   21 o  232.745   5.3685  146.646   6.7518   0.0000   0.0000  146.646   6.7518  ?   ?   232.745   5.3685      ?      ? 
1 1 1   26   13   22 o   84.905   8.2233   19.576   3.7729   0.0000   0.0000   19.576   3.7729  ?   ?    84.905   8.2233      ?      ? 
1 1 1   26   13   23 o  180.787   5.2805   88.512   5.1586   0.0000   0.0000   88.512   5.1586  ?   ?   180.787   5.2805      ?      ? 
1 1 1   26   13   24 o  212.032   5.0344  121.747   5.7681   0.0000   0.0000  121.747   5.7681  ?   ?   212.032   5.0344      ?      ? 
1 1 1   26   13   25 o  311.168   5.3183  262.314   8.9424   0.0000   0.0000  262.314   8.9424  ?   ?   311.168   5.3183      ?      ? 
1 1 1   26   13   26 o  191.482   4.7987   99.293   4.9652   0.0000   0.0000   99.293   4.9652  ?   ?   191.482   4.7987      ?      ? 
1 1 1   26   13   27 o  184.145   6.0546   91.977   6.0247   0.0000   0.0000   91.977   6.0247  ?   ?   184.145   6.0546      ?      ? 
1 1 1   26   13   28 o  194.626   4.6626  102.610   4.9037   0.0000   0.0000  102.610   4.9037  ?   ?   194.626   4.6626      ?      ? 
1 1 1   26   13   29 o  149.126   5.6480   60.338   4.5513   0.0000   0.0000   60.338   4.5513  ?   ?   149.126   5.6480      ?      ? 
1 1 1   26   13   30 o  138.501   5.7788   52.070   4.3249   0.0000   0.0000   52.070   4.3249  ?   ?   138.501   5.7788      ?      ? 
1 1 1   26   13   31 o  162.072   11.805   72.432   10.339   0.0000   0.0000   72.432   10.339  ?   ?   162.072   11.805      ?      ? 
1 1 1   26   13   32 o  155.995   12.477   67.408   10.517   0.0000   0.0000   67.408   10.517  ?   ?   155.995   12.477      ?      ? 
1 1 1   26   13   34 o  107.003   16.492   32.526   9.5358   0.0000   0.0000   32.526   9.5358  ?   ?   107.003   16.492      ?      ? 
1 1 1   26   13   35 o   73.367   21.828   16.367   9.2934   0.0000   0.0000   16.367   9.2934  ?   ?    73.367   21.828      ?      ? 
1 1 1   26   13   36 o   61.908   21.848   10.685   9.1039   0.0000   0.0000   10.685   9.1039  ?   ?    61.908   21.848      ?      ? 
1 1 1   26   13   37 o  117.209   15.690   39.226   9.9372   0.0000   0.0000   39.226   9.9372  ?   ?   117.209   15.690      ?      ? 
1 1 1   26   13   39 f  135.495   13.763   52.161   10.077   0.0000   0.0000   52.161   10.077  ?   ?   135.495   13.763      ?      ? 
1 1 1   26   13   40 o  146.249   6.2056   58.444   4.9042   0.0000   0.0000   58.444   4.9042  ?   ?   146.249   6.2056      ?      ? 
1 1 1   26   13   41 o  142.380   6.3050   55.418   4.8509   0.0000   0.0000   55.418   4.8509  ?   ?   142.380   6.3050      ?      ? 
1 1 1   26   13   42 o   96.102   5.3301   25.181   2.7679   0.0000   0.0000   25.181   2.7679  ?   ?    96.102   5.3301      ?      ? 
1 1 1   26   13   43 o   37.113   11.087   3.9439   2.3941   0.0000   0.0000   3.9439   2.3941  ?   ?    37.113   11.087      ?      ? 
1 1 1   26   13   44 o   45.848   10.267   6.8463   2.4724  -3.0833   8.6530   7.7291   2.5800   39.859   18.171   51.837   9.5630 -11.97839 20.53389 
1 1 1   26   13   45 o  106.997   10.120   33.694   3.2943   34.279   10.423   33.629   3.4724  103.265   19.390  110.730   5.8033 -7.464912 20.24027 
1 1 1   26   13   46 o  158.984   7.6370   59.517   5.5538   96.824   12.565   50.458   6.1915  183.310   12.684  134.658   8.5089 48.65179 15.27402 
1 1 1   26   13   47 o   32.223   10.127  -2.4450   3.8463  -8.5039   5.9026   2.0263   5.0707   27.038   13.096   37.407   15.449 -10.36917 20.25301 
1 1 1   26   13   48 o  106.098   10.185   32.521   5.8394   0.0000   0.0000   32.521   5.8394  ?   ?   106.098   10.185      ?      ? 
1 1 1   26   13   49 o   67.462   11.345   14.246   4.0404   17.026   6.2892   12.292   5.2723   72.864   16.372   62.060   15.708 10.80387 22.68903 
1 1 1   26   13   50 o   50.328   12.227   8.1615   3.9977   9.7005   6.0756   6.9864   5.3088   53.594   17.885   47.062   16.676 6.532085 24.45318 
1 1 1   26   14    0 o  436.553   6.6845  516.360   15.747  516.654   22.882  516.095   21.704  436.639   9.6980  436.468   9.2022 0.1713562 13.36904 
1 1 1   26   14    1 o  222.326   6.5443  133.160   7.8053  139.984   11.888  127.990   10.348  227.275   9.6801  217.378   8.8095 9.897751 13.08859 
1 1 1   26   14    2 o  210.034   6.6236  119.384   7.4908  121.279   11.109  117.804   10.144  211.537   9.7188  208.530   9.0018 3.006622 13.24718 
1 1 1   26   14    3 o  120.548   12.280   39.464   7.9989   0.0000   0.0000   39.464   7.9989  ?   ?   120.548   12.280      ?      ? 
1 1 1   26   14    4 o  107.840   15.951   38.764   8.6524   48.919   10.457   16.721   15.407  134.067   14.434   81.613   28.449 52.45357 31.90125 
1 1 1   26   14    5 o   61.434   19.324  -6.8390   12.363  -0.5378   20.742 -10.3108   15.396   70.356   30.251   52.512   24.053 17.84372 38.64784 
1 1 1   26   14    6 o   90.963   31.608   21.178   19.012   21.178   19.012   0.0000   0.0000   90.963   31.608  ?   ?       ?      ? 
1 1 1   26   14    7 o  219.333   6.3219  130.294   7.4852  132.338   10.865  128.448   10.327  220.956   9.1001  217.709   8.7779 3.246719 12.64371 
1 1 1   26   14    8 o   72.137   13.459   14.822   5.3607   12.463   7.7019   17.039   7.4659   66.904   19.863   77.369   18.168 -10.46526 26.91856 
1 1 1   26   14    9 o  116.167   8.6636   36.879   5.4101   33.614   7.8034   39.902   7.5072  111.144   12.993  121.189   11.464 -10.04509 17.32725 
1 1 1   26   14   10 o   64.665   13.350   11.684   4.9890   9.9282   7.1300   13.369   6.9832   60.666   19.315   68.663   18.434 -7.997257 26.69970 
1 1 1   26   14   11 o  117.938   8.3434   38.055   5.2828   34.029   7.6070   41.806   7.3421  111.824   12.589  124.053   10.953 -12.22929 16.68674 
1 1 1   26   14   12 o  216.886   8.1879  127.498   9.5961   0.0000   0.0000  127.498   9.5961  ?   ?   216.886   8.1879      ?      ? 
1 1 1   26   14   13 o  121.806   7.7398   40.122   5.0680   42.276   7.6374   38.427   6.7744  124.686   11.336  118.927   10.542 5.758438 15.47966 
1 1 1   26   14   14 o   92.990   9.6096   24.053   4.6461   28.922   6.6346   19.368   6.5084  103.068   11.912   82.912   15.082 20.15611 19.21926 
1 1 1   26   14   15 o  154.688   6.5819   65.171   5.4701   56.862   7.6998   73.637   7.7725  144.658   9.8503  164.719   8.7324 -20.06071 13.16372 
1 1 1   26   14   16 o  157.808   6.2356   67.640   5.3044   61.623   7.4338   73.882   7.5711  150.627   9.1331  164.989   8.4921 -14.36198 12.47118 
1 1 1   26   14   18 o   84.892   8.4255   19.642   3.8380   19.721   5.7837   19.580   5.1304   85.000   12.592   84.785   11.198 0.2146835 16.85102 
1 1 1   26   14   19 o  438.906   8.7368  523.188   20.721   0.0000   0.0000  523.188   20.721  ?   ?   438.906   8.7368      ?      ? 
1 1 1   26   14   20 o  315.853   5.7171  270.200   9.7578   0.0000   0.0000  270.200   9.7578  ?   ?   315.853   5.7171      ?      ? 
1 1 1   26   14   21 o  197.704   9.8905  106.455   10.566   0.0000   0.0000  106.455   10.566  ?   ?   197.704   9.8905      ?      ? 
1 1 1   26   14   22 o  191.843   9.7803  100.289   10.139   0.0000   0.0000  100.289   10.139  ?   ?   191.843   9.7803      ?      ? 
1 1 1   26   14   23 o  195.108   5.5670  103.153   5.8692   0.0000   0.0000  103.153   5.8692  ?   ?   195.108   5.5670      ?      ? 
1 1 1   26   14   24 o   86.472   8.5457   20.348   3.9931   0.0000   0.0000   20.348   3.9931  ?   ?    86.472   8.5457      ?      ? 
1 1 1   26   14   25 o   31.897   12.974   1.1386   3.5076   0.0000   0.0000   1.1386   3.5076  ?   ?    31.897   12.974      ?      ? 
1 1 1   26   14   26 o   33.242   12.986   1.8755   3.3770   0.0000   0.0000   1.8755   3.3770  ?   ?    33.242   12.986      ?      ? 
1 1 1   26   14   27 o  205.428   5.0701  114.392   5.6281   0.0000   0.0000  114.392   5.6281  ?   ?   205.428   5.0701      ?      ? 
1 1 1   26   14   28 o   26.184   11.343  -0.3579   2.9601   0.0000   0.0000  -0.3579   2.9601  ?   ?    26.184   11.343      ?      ? 
1 1 1   26   14   29 o   92.922   6.4194   23.466   3.2233   0.0000   0.0000   23.466   3.2233  ?   ?    92.922   6.4194      ?      ? 
1 1 1   26   14   30 o   70.931   7.3233   13.704   2.8069   0.0000   0.0000   13.704   2.8069  ?   ?    70.931   7.3233      ?      ? 
1 1 1   26   14   31 o  112.987   5.2577   34.653   3.2101   0.0000   0.0000   34.653   3.2101  ?   ?   112.987   5.2577      ?      ? 
1 1 1   26   14   32 o  140.156   4.8641   53.305   3.6839   0.0000   0.0000   53.305   3.6839  ?   ?   140.156   4.8641      ?      ? 
1 1 1   26   14   33 o  126.933   4.9843   43.740   3.4188   0.0000   0.0000   43.740   3.4188  ?   ?   126.933   4.9843      ?      ? 
1 1 1   26   14   34 o   29.925   10.892   2.0578   2.2823   0.0000   0.0000   2.0578   2.2823  ?   ?    29.925   10.892      ?      ? 
1 1 1   26   14   35 o   83.924   5.8695   19.176   2.6618   0.0000   0.0000   19.176   2.6618  ?   ?    83.924   5.8695      ?      ? 
1 1 1   26   14   36 o   60.604   7.3759   10.050   2.4155   0.0000   0.0000   10.050   2.4155  ?   ?    60.604   7.3759      ?      ? 
1 1 1   26   14   37 o  147.641   4.6871   59.225   3.7393   0.0000   0.0000   59.225   3.7393  ?   ?   147.641   4.6871      ?      ? 
1 1 1   26   14   38 o  136.327   4.7877   50.530   3.5269   0.0000   0.0000   50.530   3.5269  ?   ?   136.327   4.7877      ?      ? 
1 1 1   26   14   39 o   15.936   7.7501  -3.6600   2.1230   0.0000   0.0000  -3.6600   2.1230  ?   ?    15.936   7.7501      ?      ? 
1 1 1   26   14   40 o   48.971   9.5515   6.8674   2.4368   0.0000   0.0000   6.8674   2.4368  ?   ?    48.971   9.5515      ?      ? 
1 1 1   26   14   41 o   66.654   7.2228   12.206   2.6015   0.0000   0.0000   12.206   2.6015  ?   ?    66.654   7.2228      ?      ? 
1 1 1   26   14   42 o   74.144   7.1477   15.120   2.8637   0.0000   0.0000   15.120   2.8637  ?   ?    74.144   7.1477      ?      ? 
1 1 1   26   14   43 o   69.054   8.0055   13.201   2.9872   0.0000   0.0000   13.201   2.9872  ?   ?    69.054   8.0055      ?      ? 
1 1 1   26   14   44 o   94.646   6.3620   24.643   3.2538   0.0000   0.0000   24.643   3.2538  ?   ?    94.646   6.3620      ?      ? 
1 1 1   26   14   45 o  159.771   8.0255   76.095   4.5610   67.680   12.357   77.422   4.9075  151.274   15.116  168.267   5.3973 -16.99345 16.05103 
1 1 1   26   14   46 o  159.990   7.9624   65.405   5.8683   88.401   12.737   59.208   6.6118  174.141   13.535  145.839   8.3900 28.30209 15.92472 
1 1 1   26   14   47 o   46.887   13.434   4.7891   4.4966   9.5563   9.6907   3.4810   5.0762   54.521   21.779   39.252   15.733 15.26857 26.86750 
1 1 1   26   14   48 o   68.914   15.013   14.917   5.4326   0.0000   0.0000   14.917   5.4326  ?   ?    68.914   15.013      ?      ? 
1 1 1   26   14   49 o   40.692   11.105   0.1455   4.0038   10.632   6.4796  -6.3315   5.0923   55.774   18.463   25.610   12.345 30.16439 22.21020 
1 1 1   26   15    0 o  333.702   6.2727  302.046   11.293  297.359   16.373  306.298   15.596  331.198   9.1485  336.206   8.5845 -5.008362 12.54546 
1 1 1   26   15    1 o  171.245   7.4777   80.267   6.8580   70.005   9.8873   89.781   9.5204  160.544   11.397  181.945   9.6834 -21.40071 14.95535 
1 1 1   26   15    2 o   50.786   13.577   3.3884   5.6408  -3.6840   8.1663   9.8417   7.8007   40.317   18.084   61.255   20.257 -20.93830 27.15465 
1 1 1   26   15    3 o  122.181   9.4896   40.318   6.1219   53.425   9.1227   29.579   8.2573  140.196   12.042  104.166   14.670 36.03018 18.97925 
1 1 1   26   15    4 o   57.567   14.294   7.7850   5.5724   10.532   8.1180   5.3376   7.6628   63.054   20.656   52.080   19.763 10.97367 28.58770 
1 1 1   26   15    5 f  337.037   11.122  308.559   20.256  308.559   20.256   0.0000   0.0000  337.037   11.122  ?   ?       ?      ? 
1 1 1   26   15    6 o  119.981   20.378   43.068   13.786   24.482   21.069   56.982   18.230   96.489   33.289  143.473   23.514 -46.98393 40.75591 
1 1 1   26   15    7 o  362.688   15.347  359.234   30.077  359.234   30.077   0.0000   0.0000  362.688   15.347  ?   ?       ?      ? 
1 1 1   26   15    8 o  146.014   18.207   61.706   13.750   49.550   20.233   72.140   18.744  130.373   29.419  161.655   21.458 -31.28188 36.41314 
1 1 1   26   15    9 o  190.494   6.7571   98.624   6.9030   83.460   9.6169  114.742   9.9144  175.312   10.152  205.676   8.9206 -30.36418 13.51416 
1 1 1   26   15   10 o  190.408   6.5509   98.454   6.7303   97.103   9.7482   99.685   9.3036  189.134   9.5382  191.682   8.9822 -2.548752 13.10181 
1 1 1   26   15   11 o  170.885   6.9016   79.660   6.3428   72.044   9.0787   86.923   8.8652  162.818   10.319  178.952   9.1677 -16.13461 13.80320 
1 1 1   26   15   12 o  124.410   8.0459   42.229   5.3695   35.952   7.5058   48.808   7.6846  114.858   12.093  133.961   10.616 -19.10237 16.09176 
1 1 1   26   15   13 f  239.031   8.1996  155.020   10.591   0.0000   0.0000  155.020   10.591  ?   ?   239.031   8.1996      ?      ? 
1 1 1   26   15   14 o  184.129   6.3100   92.058   6.2699   85.780   8.7839   98.580   8.9523  177.705   9.1475  190.553   8.6943 -12.84734 12.62008 
1 1 1   26   15   15 o  166.277   6.6612   74.832   5.9634   84.412   8.7094   66.377   8.1822  176.284   9.1430  156.270   9.6897 20.01366 13.32232 
1 1 1   26   15   16 o  289.952   5.8746  228.063   9.2016  233.113   13.212  223.305   12.823  293.062   8.3428  286.842   8.2730 6.220337 11.74926 
1 1 1   26   15   17 o  182.417   5.7662   86.823   5.5190  105.022   9.2452   76.746   6.8793  196.634   8.7010  168.199   7.5689 28.43445 11.53235 
1 1 1   26   15   18 o  314.886   6.7395  268.825   11.467   0.0000   0.0000  268.825   11.467  ?   ?   314.886   6.7395      ?      ? 
1 1 1   26   15   19 o  268.492   7.3616  195.651   10.681   0.0000   0.0000  195.651   10.681  ?   ?   268.492   7.3616      ?      ? 
1 1 1   26   15   20 o   94.707   10.421   24.470   5.3331   0.0000   0.0000   24.470   5.3331  ?   ?    94.707   10.421      ?      ? 
1 1 1   26   15   21 o  282.738   6.5892  216.872   10.067   0.0000   0.0000  216.872   10.067  ?   ?   282.738   6.5892      ?      ? 
1 1 1   26   15   22 o  106.856   8.4692   31.067   4.8902   0.0000   0.0000   31.067   4.8902  ?   ?   106.856   8.4692      ?      ? 
1 1 1   26   15   23 o  150.428   6.6540   61.417   5.4088   0.0000   0.0000   61.417   5.4088  ?   ?   150.428   6.6540      ?      ? 
1 1 1   26   15   24 o  225.655   5.5338  138.044   6.7476   0.0000   0.0000  138.044   6.7476  ?   ?   225.655   5.5338      ?      ? 
1 1 1   26   15   25 o  290.532   7.2123  229.523   11.323   0.0000   0.0000  229.523   11.323  ?   ?   290.532   7.2123      ?      ? 
1 1 1   26   15   26 o   58.123   13.051   9.6899   3.9988   0.0000   0.0000   9.6899   3.9988  ?   ?    58.123   13.051      ?      ? 
1 1 1   26   15   27 o  197.736   5.3410  106.063   5.7069   0.0000   0.0000  106.063   5.7069  ?   ?   197.736   5.3410      ?      ? 
1 1 1   26   15   28 o   85.223   8.3952   19.827   3.8661   0.0000   0.0000   19.827   3.8661  ?   ?    85.223   8.3952      ?      ? 
1 1 1   26   15   29 o  108.486   6.7283   32.028   3.9443   0.0000   0.0000   32.028   3.9443  ?   ?   108.486   6.7283      ?      ? 
1 1 1   26   15   30 o  216.549   5.2422  127.318   6.1343   0.0000   0.0000  127.318   6.1343  ?   ?   216.549   5.2422      ?      ? 
1 1 1   26   15   31 o  144.101   5.4615   56.416   4.2527   0.0000   0.0000   56.416   4.2527  ?   ?   144.101   5.4615      ?      ? 
1 1 1   26   15   32 o   30.313   11.925   1.5342   2.8640   0.0000   0.0000   1.5342   2.8640  ?   ?    30.313   11.925      ?      ? 
1 1 1   26   15   33 o   73.059   7.6128   14.604   3.0054   0.0000   0.0000   14.604   3.0054  ?   ?    73.059   7.6128      ?      ? 
1 1 1   26   15   34 o   64.581   8.2906   11.443   2.8932   0.0000   0.0000   11.443   2.8932  ?   ?    64.581   8.2906      ?      ? 
1 1 1   26   15   35 o  190.551   4.8852   98.667   5.0301   0.0000   0.0000   98.667   5.0301  ?   ?   190.551   4.8852      ?      ? 
1 1 1   26   15   36 o   74.420   7.3401   15.174   2.9518   0.0000   0.0000   15.174   2.9518  ?   ?    74.420   7.3401      ?      ? 
1 1 1   26   15   37 o  144.914   5.2173   57.170   4.0855   0.0000   0.0000   57.170   4.0855  ?   ?   144.914   5.2173      ?      ? 
1 1 1   26   15   38 o  152.749   5.1419   63.536   4.2441   0.0000   0.0000   63.536   4.2441  ?   ?   152.749   5.1419      ?      ? 
1 1 1   26   15   39 o   44.859   11.426   5.8591   2.7772   0.0000   0.0000   5.8591   2.7772  ?   ?    44.859   11.426      ?      ? 
1 1 1   26   15   40 o   88.029   6.5256   21.232   3.1041   0.0000   0.0000   21.232   3.1041  ?   ?    88.029   6.5256      ?      ? 
1 1 1   26   15   41 o   48.272   11.041   6.8073   2.8175   0.0000   0.0000   6.8073   2.8175  ?   ?    48.272   11.041      ?      ? 
1 1 1   26   15   42 o  118.745   5.7096   38.586   3.6636   0.0000   0.0000   38.586   3.6636  ?   ?   118.745   5.7096      ?      ? 
1 1 1   26   15   43 o   47.639   11.888   6.7606   3.0506   0.0000   0.0000   6.7606   3.0506  ?   ?    47.639   11.888      ?      ? 
1 1 1   26   15   44 o   68.722   9.0213   13.189   3.3501   0.0000   0.0000   13.189   3.3501  ?   ?    68.722   9.0213      ?      ? 
1 1 1   26   15   45 o   80.636   13.059   17.741   3.3981   24.392   11.923   17.153   3.5452   82.776   24.745   78.497   8.3578 4.278427 26.11854 
1 1 1   26   15   46 o   31.296   12.647   1.7563   3.3089   0.0000   0.0000   1.7563   3.3089  ?   ?    31.296   12.647      ?      ? 
1 1 1   26   15   47 o   49.173   12.821   7.4106   3.4419   0.0000   0.0000   7.4106   3.4419  ?   ?    49.173   12.821      ?      ? 
1 1 1   26   15   48 o   61.717   16.246   12.568   5.4919   0.0000   0.0000   12.568   5.4919  ?   ?    61.717   16.246      ?      ? 
1 1 1   26   16    0 o  215.877   6.7603  125.935   7.8689  134.657   11.601  118.502   10.709  222.764   9.6374  208.989   9.4829 13.77516 13.52051 
1 1 1   26   16    1 o  218.155   6.7367  128.012   7.9065  144.284   11.817  114.825   10.638  230.600   9.4836  205.709   9.5705 24.89133 13.47341 
1 1 1   26   16    2 o  180.382   7.2142   88.318   7.0275   89.214   10.140   87.489   9.7486  181.249   10.353  179.514   10.050 1.735092 14.42848 
1 1 1   26   16    3 f  211.792   6.7655  122.463   7.6958  110.395   11.103  133.622   10.677  201.626   10.191  221.958   8.9018 -20.33223 13.53107 
1 1 1   26   16    4 o  110.348   10.954   33.455   6.1963   45.032   9.2502   24.033   8.3452  128.532   13.318   92.165   17.394 36.36742 21.90751 
1 1 1   26   16    5 o  243.757   6.9684  162.514   8.9575  155.743   14.158  167.033   11.567  239.350   10.947  248.163   8.6255 -8.813278 13.93681 
1 1 1   26   16    6 o  175.757   7.8045   82.268   7.3261   95.968   11.476   72.844   9.5177  187.823   11.308  163.690   10.760 24.13290 15.60908 
1 1 1   26   16    7 o  342.111   11.235  318.468   20.770   0.0000   0.0000  318.468   20.770  ?   ?   342.111   11.235      ?      ? 
1 1 1   26   16    8 o  216.511   20.008  129.662   23.408  129.662   23.408   0.0000   0.0000  216.511   20.008  ?   ?       ?      ? 
1 1 1   26   16    9 o   82.969   22.154   15.381   13.338   14.599   21.562   15.865   16.975   84.755   32.896   81.182   29.682 3.572189 44.30783 
1 1 1   26   16   10 o  134.624   20.947   55.108   14.672   43.131   24.196   62.072   18.451  120.149   35.081  149.100   22.901 -28.95118 41.89407 
1 1 1   26   16   11 o  444.403   9.4683  536.660   22.737   0.0000   0.0000  536.660   22.737  ?   ?   444.403   9.4683      ?      ? 
1 1 1   26   16   12 o  145.490   7.5664   57.574   5.9307   63.823   8.5256   51.714   8.2553  153.173   10.300  137.806   11.086 15.36742 15.13280 
1 1 1   26   16   13 o  255.311   6.0564  177.041   8.3519  173.255   11.897  180.720   11.728  252.597   8.7158  258.025   8.4115 -5.428436 12.11271 
1 1 1   26   16   14 o   43.042   12.623   1.4336   4.8133   1.6328   6.6613   1.2161   6.9628   42.961   17.722   43.123   17.980 -0.1625748 25.24591 
1 1 1   26   16   15 o  233.758   8.5536  148.443   10.805   0.0000   0.0000  148.443   10.805  ?   ?   233.758   8.5536      ?      ? 
1 1 1   26   16   16 o   39.982   11.964   0.4456   4.4431   0.1653   6.0052   0.7846   6.6044   38.599   16.428   41.365   17.397 -2.766716 23.92755 
1 1 1   26   16   17 o  155.908   6.3065   68.345   5.1341   53.716   7.7476   79.798   6.8553  140.367   10.214  171.450   7.3995 -31.08318 12.61298 
1 1 1   26   16   18 o  279.824   6.7675  212.449   10.233   0.0000   0.0000  212.449   10.233  ?   ?   279.824   6.7675      ?      ? 
1 1 1   26   16   19 o   71.658   13.822   14.582   5.1580   0.0000   0.0000   14.582   5.1580  ?   ?    71.658   13.822      ?      ? 
1 1 1   26   16   20 o  144.550   7.4033   56.761   5.7828   0.0000   0.0000   56.761   5.7828  ?   ?   144.550   7.4033      ?      ? 
1 1 1   26   16   21 o   77.222   11.994   16.352   5.0050   0.0000   0.0000   16.352   5.0050  ?   ?    77.222   11.994      ?      ? 
1 1 1   26   16   22 o   49.671   15.812   6.7533   4.7784   0.0000   0.0000   6.7533   4.7784  ?   ?    49.671   15.812      ?      ? 
1 1 1   26   16   23 o  133.823   8.5763   48.824   6.2018   0.0000   0.0000   48.824   6.2018  ?   ?   133.823   8.5763      ?      ? 
1 1 1   26   16   24 o   38.817   15.090   2.7305   4.5426   0.0000   0.0000   2.7305   4.5426  ?   ?    38.817   15.090      ?      ? 
1 1 1   26   16   25 o  255.707   7.0374  177.879   9.7239   0.0000   0.0000  177.879   9.7239  ?   ?   255.707   7.0374      ?      ? 
1 1 1   26   16   26 o  150.196   6.4490   61.319   5.2341   0.0000   0.0000   61.319   5.2341  ?   ?   150.196   6.4490      ?      ? 
1 1 1   26   16   27 o   48.727   14.589   6.7189   4.1418   0.0000   0.0000   6.7189   4.1418  ?   ?    48.727   14.589      ?      ? 
1 1 1   26   16   28 o  120.605   7.0305   39.634   4.5819   0.0000   0.0000   39.634   4.5819  ?   ?   120.605   7.0305      ?      ? 
1 1 1   26   16   29 o  140.768   6.2082   53.920   4.7224   0.0000   0.0000   53.920   4.7224  ?   ?   140.768   6.2082      ?      ? 
1 1 1   26   16   30 o  106.284   7.1668   30.822   4.1161   0.0000   0.0000   30.822   4.1161  ?   ?   106.284   7.1668      ?      ? 
1 1 1   26   16   31 o  135.131   6.0323   49.715   4.4048   0.0000   0.0000   49.715   4.4048  ?   ?   135.131   6.0323      ?      ? 
1 1 1   26   16   32 f  141.766   5.8120   54.709   4.4523   0.0000   0.0000   54.709   4.4523  ?   ?   141.766   5.8120      ?      ? 
1 1 1   26   16   33 o  128.578   5.9041   45.025   4.1021   0.0000   0.0000   45.025   4.1021  ?   ?   128.578   5.9041      ?      ? 
1 1 1   26   16   34 o  122.945   5.8668   41.190   3.8976   0.0000   0.0000   41.190   3.8976  ?   ?   122.945   5.8668      ?      ? 
1 1 1   26   16   35 o   62.694   9.3725   10.869   3.1752   0.0000   0.0000   10.869   3.1752  ?   ?    62.694   9.3725      ?      ? 
1 1 1   26   16   36 o  195.018   5.1961  103.552   5.4757   0.0000   0.0000  103.552   5.4757  ?   ?   195.018   5.1961      ?      ? 
1 1 1   26   16   37 o   27.271   11.598   0.2125   2.9896   0.0000   0.0000   0.2125   2.9896  ?   ?    27.271   11.598      ?      ? 
1 1 1   26   16   38 o   90.944   6.9502   22.672   3.4155   0.0000   0.0000   22.672   3.4155  ?   ?    90.944   6.9502      ?      ? 
1 1 1   26   16   39 o   76.618   8.0733   16.213   3.3425   0.0000   0.0000   16.213   3.3425  ?   ?    76.618   8.0733      ?      ? 
1 1 1   26   16   40 o  125.977   5.8079   43.389   3.9536   0.0000   0.0000   43.389   3.9536  ?   ?   125.977   5.8079      ?      ? 
1 1 1   26   16   41 o  130.469   5.9953   46.673   4.2268   0.0000   0.0000   46.673   4.2268  ?   ?   130.469   5.9953      ?      ? 
1 1 1   26   16   42 o   83.306   8.6419   19.371   3.8902   0.0000   0.0000   19.371   3.8902  ?   ?    83.306   8.6419      ?      ? 
1 1 1   26   16   43 o   73.621   10.035   15.249   3.9923   0.0000   0.0000   15.249   3.9923  ?   ?    73.621   10.035      ?      ? 
1 1 1   26   16   44 o   89.570   8.4600   22.372   4.0947   0.0000   0.0000   22.372   4.0947  ?   ?    89.570   8.4600      ?      ? 
1 1 1   26   16   45 o  197.434   5.9714  107.834   6.3707   0.0000   0.0000  107.834   6.3707  ?   ?   197.434   5.9714      ?      ? 
1 1 1   26   16   46 o  116.814   6.9050   37.883   4.3586   0.0000   0.0000   37.883   4.3586  ?   ?   116.814   6.9050      ?      ? 
1 1 1   26   16   47 o  100.683   11.164   31.102   3.7355   33.491   10.741   30.773   3.9842   96.419   21.193  104.947   7.0255 -8.527634 22.32714 
1 1 1   26   17    0 f  381.836   9.0496  395.836   18.672   0.0000   0.0000  395.836   18.672  ?   ?   381.836   9.0496      ?      ? 
1 1 1   26   17    1 o  238.926   9.8490  155.136   12.716  155.136   12.716   0.0000   0.0000  238.926   9.8490  ?   ?       ?      ? 
1 1 1   26   17    2 o  182.474   10.186   90.534   10.044   0.0000   0.0000   90.534   10.044  ?   ?   182.474   10.186      ?      ? 
1 1 1   26   17    3 o  340.841   8.8907  315.426   16.375   0.0000   0.0000  315.426   16.375  ?   ?   340.841   8.8907      ?      ? 
1 1 1   26   17    4 o  127.936   9.7778   44.473   6.6844   54.498   9.8652   35.964   9.0887  141.278   12.922  114.594   14.678 26.68398 19.55550 
1 1 1   26   17    6 o  116.953   11.638   40.393   6.5882   22.703   9.4151   57.365   9.2221   88.836   20.085  145.069   11.764 -56.23312 23.27635 
1 1 1   26   17    7 o  162.939   8.2423   70.969   7.1411   91.667   10.881   55.310   9.4646  183.488   10.974  142.389   12.301 41.09901 16.48469 
1 1 1   26   17    8 o   58.204   14.687   7.9367   5.8154   6.3249   7.7393   10.027   8.8133   53.839   19.980   62.569   21.533 -8.730350 29.37480 
1 1 1   26   17    9 o  357.710   9.0044  347.570   17.405   0.0000   0.0000  347.570   17.405  ?   ?   357.710   9.0044      ?      ? 
1 1 1   26   17   10 o  110.870   22.517   36.528   14.056   35.338   22.238   37.320   18.139  109.560   34.006  112.179   29.522 -2.618843 45.03307 
1 1 1   26   17   11 o   90.333   22.802   21.020   13.851   23.536   21.858   19.331   17.905   94.474   33.798   86.193   30.616 8.281006 45.60327 
1 1 1   26   17   12 o  179.788   15.922   91.357   15.075   87.703   23.862   93.784   19.448  175.958   25.096  183.617   19.601 -7.659149 31.84308 
1 1 1   26   17   13 o   75.390   19.631   5.1451   7.3827   31.982   22.346   1.8568   7.8220  104.510   34.273   46.271   19.155 58.23938 39.26236 
1 1 1   26   17   14 o  254.136   6.1288  175.700   8.4135  171.461   11.948  179.869   11.849  251.068   8.8068  257.204   8.5258 -6.136063 12.25760 
1 1 1   26   17   15 o  195.067   9.4509  103.649   9.9620   0.0000   0.0000  103.649   9.9620  ?   ?   195.067   9.4509      ?      ? 
1 1 1   26   17   16 o  122.679   7.1801   41.003   4.7320   41.586   7.1078   40.539   6.3416  123.401   10.659  121.957   9.6228 1.443794 14.36030 
1 1 1   26   17   17 o  230.892   5.8016  140.757   6.9273  159.369   11.935  131.301   8.5069  241.887   9.1312  219.898   7.1592 21.98874 11.60311 
1 1 1   26   17   18 o  122.615   8.7188   40.934   5.7768   0.0000   0.0000   40.934   5.7768  ?   ?   122.615   8.7188      ?      ? 
1 1 1   26   17   19 o   49.309   16.660   6.3578   5.2725   0.0000   0.0000   6.3578   5.2725  ?   ?    49.309   16.660      ?      ? 
1 1 1   26   17   20 o  126.782   8.3697   43.777   5.7340   0.0000   0.0000   43.777   5.7340  ?   ?   126.782   8.3697      ?      ? 
1 1 1   26   17   21 o  175.596   6.7925   83.792   6.4451   0.0000   0.0000   83.792   6.4451  ?   ?   175.596   6.7925      ?      ? 
1 1 1   26   17   22 o  182.435   7.5619   90.614   7.4546   0.0000   0.0000   90.614   7.4546  ?   ?   182.435   7.5619      ?      ? 
1 1 1   26   17   23 o   80.778   11.611   17.961   5.0681   0.0000   0.0000   17.961   5.0681  ?   ?    80.778   11.611      ?      ? 
1 1 1   26   17   24 o   70.380   13.375   14.154   4.9006   0.0000   0.0000   14.154   4.9006  ?   ?    70.380   13.375      ?      ? 
1 1 1   26   17   25 o  164.251   6.7101   73.400   5.9556   0.0000   0.0000   73.400   5.9556  ?   ?   164.251   6.7101      ?      ? 
1 1 1   26   17   26 o  177.439   6.3072   85.642   6.0475   0.0000   0.0000   85.642   6.0475  ?   ?   177.439   6.3072      ?      ? 
1 1 1   26   17   27 o   54.012   15.006   8.4595   4.5365   0.0000   0.0000   8.4595   4.5365  ?   ?    54.012   15.006      ?      ? 
1 1 1   26   17   28 o  150.639   6.5526   61.810   5.3338   0.0000   0.0000   61.810   5.3338  ?   ?   150.639   6.5526      ?      ? 
1 1 1   26   17   29 o   77.832   10.249   16.720   4.3106   0.0000   0.0000   16.720   4.3106  ?   ?    77.832   10.249      ?      ? 
1 1 1   26   17   30 o  133.702   6.6878   48.775   4.8318   0.0000   0.0000   48.775   4.8318  ?   ?   133.702   6.6878      ?      ? 
1 1 1   26   17   31 o  257.927   5.6950  181.057   7.9374   0.0000   0.0000  181.057   7.9374  ?   ?   257.927   5.6950      ?      ? 
1 1 1   26   17   32 o  179.002   5.6877   87.247   5.5015   0.0000   0.0000   87.247   5.5015  ?   ?   179.002   5.6877      ?      ? 
1 1 1   26   17   33 o  186.296   5.5586   94.523   5.5957   0.0000   0.0000   94.523   5.5957  ?   ?   186.296   5.5586      ?      ? 
1 1 1   26   17   34 o  182.860   5.6434   91.139   5.5763   0.0000   0.0000   91.139   5.5763  ?   ?   182.860   5.6434      ?      ? 
1 1 1   26   17   35 o  177.164   5.7549   85.633   5.5094   0.0000   0.0000   85.633   5.5094  ?   ?   177.164   5.7549      ?      ? 
1 1 1   26   17   36 o   83.021   8.7243   19.043   3.9139   0.0000   0.0000   19.043   3.9139  ?   ?    83.021   8.7243      ?      ? 
1 1 1   26   17   37 o   86.032   8.3414   20.435   3.8778   0.0000   0.0000   20.435   3.8778  ?   ?    86.032   8.3414      ?      ? 
1 1 1   26   17   38 o  112.094   7.0147   34.532   4.2489   0.0000   0.0000   34.532   4.2489  ?   ?   112.094   7.0147      ?      ? 
1 1 1   26   17   39 o  177.203   5.9362   85.923   5.6842   0.0000   0.0000   85.923   5.6842  ?   ?   177.203   5.9362      ?      ? 
1 1 1   26   17   40 o   41.838   14.065   4.9770   3.7575   0.0000   0.0000   4.9770   3.7575  ?   ?    41.838   14.065      ?      ? 
1 1 1   26   17   41 o   87.623   8.8306   21.441   4.1812   0.0000   0.0000   21.441   4.1812  ?   ?    87.623   8.8306      ?      ? 
1 1 1   26   17   42 f  186.726   6.2384   95.695   6.2945   0.0000   0.0000   95.695   6.2945  ?   ?   186.726   6.2384      ?      ? 
1 1 1   26   17   43 o   90.798   8.4653   23.046   4.1534   0.0000   0.0000   23.046   4.1534  ?   ?    90.798   8.4653      ?      ? 
1 1 1   26   17   44 o  187.012   5.6285   96.525   5.6879   0.0000   0.0000   96.525   5.6879  ?   ?   187.012   5.6285      ?      ? 
1 1 1   26   17   45 o   92.014   8.4422   23.814   4.1975   0.0000   0.0000   23.814   4.1975  ?   ?    92.014   8.4422      ?      ? 
1 1 1   26   17   46 o   55.799   12.728   9.6781   3.7527   0.0000   0.0000   9.6781   3.7527  ?   ?    55.799   12.728      ?      ? 
1 1 1   26   18    0 o  347.553   8.2214  328.588   15.425  314.640   21.242  344.144   22.434  339.781   11.570  355.325   11.684 -15.54367 16.44285 
1 1 1   26   18    1 o  163.487   9.5504   72.923   8.4222   70.653   11.508   75.541   12.359  160.790   13.245  166.184   13.762 -5.393356 19.10088 
1 1 1   26   18    2 o  230.614   7.9376  144.887   9.8915  145.473   13.997  144.302   13.980  231.082   11.210  230.145   11.241 0.9374542 15.87524 
1 1 1   26   18    3 o  232.050   7.9457  146.924   9.9488  153.851   13.949  139.752   14.193  237.689   10.861  226.411   11.601 11.27803 15.89144 
1 1 1   26   18    4 o   95.634   13.565   27.729   6.7012   35.157   8.7764   17.345   10.377  113.276   14.338   77.992   23.032 35.28428 27.13055 
1 1 1   26   18    5 o  182.747   8.0729   92.048   7.8456   97.707   10.419   84.640   11.923  189.474   10.177  176.019   12.535 13.45486 16.14588 
1 1 1   26   18    6 o  196.372   11.537  105.203   12.243   0.0000   0.0000  105.203   12.243  ?   ?   196.372   11.537      ?      ? 
1 1 1   26   18    7 o  148.144   8.6263   58.773   6.8326   68.851   10.638   51.698   8.9141  158.710   12.405  137.578   11.991 21.13232 17.25252 
1 1 1   26   18    9 o  135.656   8.9927   50.713   6.5343   53.406   8.8321   47.455   9.7124  139.801   11.691  131.511   13.667 8.290314 17.98548 
1 1 1   26   18   10 o   53.284   13.627   6.1285   5.2986   10.183   7.3372   1.7091   7.6600   60.971   19.613   45.596   18.922 15.37489 27.25305 
1 1 1   26   18   11 o   63.107   14.120   10.963   5.5187   13.927   7.6354   7.7204   7.9855   69.585   19.516   56.629   20.411 12.95565 28.23943 
1 1 1   26   18   12 o  207.286   10.155  106.703   9.4882   98.287   10.606  140.428   21.231  189.782   10.342  224.790   17.478 -35.00761 20.30914 
1 1 1   26   18   13 o  162.196   19.011   77.245   15.916   75.090   24.878   78.739   20.709  157.854   30.267  166.538   23.012 -8.683914 38.02179 
1 1 1   26   18   14 o  186.046   15.831   95.949   15.535  108.198   25.397   88.626   19.637  194.604   24.151  177.487   20.475 17.11707 31.66248 
1 1 1   26   18   15 o   66.440   20.716  -3.0219   14.056   2.7725   22.997  -6.4775   17.759   74.086   31.854   58.795   26.494 15.29069 41.43189 
1 1 1   26   18   16 o   56.720   12.672   7.3577   4.6597   14.730   7.2991   2.2864   6.0538   71.235   18.718   42.206   17.088 29.02900 25.34501 
1 1 1   26   18   17 o  145.415   8.7236   57.622   6.8547   0.0000   0.0000   57.622   6.8547  ?   ?   145.415   8.7236      ?      ? 
1 1 1   26   18   18 o   95.876   11.229   25.220   5.8176   0.0000   0.0000   25.220   5.8176  ?   ?    95.876   11.229      ?      ? 
1 1 1   26   18   19 o  102.162   10.611   28.616   5.8576   0.0000   0.0000   28.616   5.8576  ?   ?   102.162   10.611      ?      ? 
1 1 1   26   18   20 o   77.279   13.823   17.018   5.5604   0.0000   0.0000   17.018   5.5604  ?   ?    77.279   13.823      ?      ? 
1 1 1   26   18   21 o   37.806   15.571   1.4330   5.1328   0.0000   0.0000   1.4330   5.1328  ?   ?    37.806   15.571      ?      ? 
1 1 1   26   18   22 o  149.397   7.4628   60.800   6.0246   0.0000   0.0000   60.800   6.0246  ?   ?   149.397   7.4628      ?      ? 
1 1 1   26   18   23 o   78.28